time_point	Molecular_Formula	Calculated_m_z	m_z	m_z_Error_ppm	Calibrated_m_z	Intensity_CH_250617_SGDRIVER_20250617_pooled_117	Intensity_CH_250617_SGDRIVER_20250617_pooled_117_n56	Intensity_CH_250617_SGDRIVER_20250617_pooled_3_n3	Intensity_CH_250617_SGDRIVER_20250617_pooled_66_n13	Intensity_CH_250617_SGDRIVER_AR1_AUG_38_n40	Intensity_CH_250617_SGDRIVER_AR1_MAYJUNE_102	Intensity_CH_250617_SGDRIVER_NOV_VH55BW_14_n14	Intensity_CH_250617_SGDRIVER_OFS17BW_JUNE_57	Intensity_CH_250617_SGDRIVER_PR1_02092023_39_n41	Intensity_CH_250617_SGDRIVER_VH45BW_JUNE_101	Intensity_CH_250617_SGDRIVER_VH50GD_02082023_114	Intensity_CH_250617_SGDRIVER_VH55BW_02082023_106	Intensity_CH_250617_SGDRIVER_HB1_AUG_71	Intensity_CH_250617_SGDRIVER_HB1_MAYJUNE_42_n44	Intensity_CH_250617_SGDRIVER_IRB30BW_01302023_56	Intensity_CH_250617_SGDRIVER_IRB30BW_JUNE_54	Intensity_CH_250617_SGDRIVER_IRB30BW_SEPT_81	Intensity_CH_250617_SGDRIVER_MR1_AUG_83	Intensity_CH_250617_SGDRIVER_MR1_MAYJUNE_92	Intensity_CH_250617_SGDRIVER_VH55GD_JUNE_69	Intensity_CH_250617_SGDRIVER_VH55GD_SEPT_76	Intensity_CH_250617_SGDRIVER_NC10GD_SEPT_46_n48	Intensity_CH_250617_SGDRIVER_NC15BW_02022023_90	Intensity_CH_250617_SGDRIVER_NC15BW_JUNE_77	Intensity_CH_250617_SGDRIVER_NOV_IRB25BW_59	Intensity_CH_250617_SGDRIVER_NOV_IRB25GD_64	Intensity_CH_250617_SGDRIVER_NOV_VH45BW_20_n20	Intensity_CH_250617_SGDRIVER_NOV_VH50GD_7_n6	Intensity_CH_250617_SGDRIVER_OFS36BW_JUNE_82	Intensity_CH_250617_SGDRIVER_OFS38BW_JUNE_91	Intensity_CH_250617_SGDRIVER_OFS44BW_JUNE_25_25	Intensity_CH_250617_SGDRIVER_VH50BW_JUNE_34_n34	Intensity_CH_250617_SGDRIVER_VH50BW_SEPT_41_n43	Intensity_CH_250617_SGDRIVER_VH50GD_JUNE_22_n22	Intensity_CH_250617_SGDRIVER_VH50GD_SEPT_44_n46	Intensity_CH_250617_SGDRIVER_VH55BW_JUNE_80	Intensity_CH_250617_SGDRIVER_VH55BW_SEPT_16_n16	Intensity_CH_250617_SGDRIVER_IRB35BW_01302023_21_n21	Intensity_CH_250617_SGDRIVER_IRB35BW_SEPT_19_n19	Intensity_CH_250617_SGDRIVER_IRB35GD_JUNE_89_n36	Intensity_CH_250617_SGDRIVER_IRB35GD_SEPT_110	Intensity_CH_250617_SGDRIVER_AR2_MAYJUNE_94	Intensity_CH_250617_SGDRIVER_Blank2_SEPT_9_n8	Intensity_CH_250617_SGDRIVER_ConwayBlank_02022023_23_n23	Intensity_CH_250617_SGDRIVER_ConwayBlank_020922023_95	Intensity_CH_250617_SGDRIVER_NC15GD_JUNE_86	Intensity_CH_250617_SGDRIVER_NC15GD_SEPT_68	Intensity_CH_250617_SGDRIVER_NOV_Blank231122_0513_33_n33	Intensity_CH_250617_SGDRIVER_OFS01BW_JUNE_28_n28	Intensity_CH_250617_SGDRIVER_OFS13BW_JUNE_65	Intensity_CH_250617_SGDRIVER_20250617_pooled_24_n24	Intensity_CH_250617_SGDRIVER_20250617_pooled_66_n35	Intensity_CH_250617_SGDRIVER_AR2_AUG_30_n30	Intensity_CH_250617_SGDRIVER_Blank_SEPT_60	Intensity_CH_250617_SGDRIVER_CR1_02092023_78	Intensity_CH_250617_SGDRIVER_HB1_02062023_88	Intensity_CH_250617_SGDRIVER_HB2_02062023_36_n38	Intensity_CH_250617_SGDRIVER_IRB25BW_JUNE_35_n37	Intensity_CH_250617_SGDRIVER_IRB30GD_02012023_100	Intensity_CH_250617_SGDRIVER_IRB30GD_SEPT_12_n11	Intensity_CH_250617_SGDRIVER_IRB35BW_JUNE_84	Intensity_CH_250617_SGDRIVER_IRB35GD_020122023_98	Intensity_CH_250617_SGDRIVER_CR1_AUG_109	Intensity_CH_250617_SGDRIVER_CR2_02082023_107	Intensity_CH_250617_SGDRIVER_MR2_02062023_11_n10	Intensity_CH_250617_SGDRIVER_HB2_AUG_111	Intensity_CH_250617_SGDRIVER_HB2_MAYJUNE_99	Intensity_CH_250617_SGDRIVER_IRB25BW_SEPT_112	Intensity_CH_250617_SGDRIVER_IRB25GD_02012023_79	Intensity_CH_250617_SGDRIVER_IRB25GD_JUNE_5_n4	Intensity_CH_250617_SGDRIVER_IRB25GD_SEPT_116	Intensity_CH_250617_SGDRIVER_OFS18BW_JUNE_18_n18	Intensity_CH_250617_SGDRIVER_OFS31BW_JUNE_113	Intensity_CH_250617_SGDRIVER_OFS32BW_INC_JUNE_73	Intensity_CH_250617_SGDRIVER_OFS32BW_JUNE_96	Intensity_CH_250617_SGDRIVER_OFS35BW_JUNE_47_n49	Intensity_CH_250617_SGDRIVER_SPEBlank_08012023_75	Intensity_CH_250617_SGDRIVER_VH45BW_02092023_10_n9	Intensity_CH_250617_SGDRIVER_NOV_NC10BW_105	Intensity_CH_250617_SGDRIVER_NOV_NC10GD_61	Intensity_CH_250617_SGDRIVER_NOV_NC15BW_40_n42	Intensity_CH_250617_SGDRIVER_NOV_NC15GD_50_n52	Intensity_CH_250617_SGDRIVER_NOV_IRB30GD_17_n17	Intensity_CH_250617_SGDRIVER_NOV_IRB35GD_27_n27	Intensity_CH_250617_SGDRIVER_NOV_MR1_67	Intensity_CH_250617_SGDRIVER_NOV_MR2_53	Intensity_CH_250617_SGDRIVER_NOV_NC05BW_8_n7	Intensity_CH_250617_SGDRIVER_MR2_AUG_37_n39	Intensity_CH_250617_SGDRIVER_MR2_MAYJUNE_51_n53	Intensity_CH_250617_SGDRIVER_NC05BW_SEPT_31_n31	Intensity_CH_250617_SGDRIVER_NC05GD_JUNE_48_n50	Intensity_CH_250617_SGDRIVER_NC05GD_SEPT_6_n5	Intensity_CH_250617_SGDRIVER_NC10BW_SEPT_55	Intensity_CH_250617_SGDRIVER_NC10GD_02022023_103	Intensity_CH_250617_SGDRIVER_NC10GD_JUNE_58	Intensity_CH_250617_SGDRIVER_062723Blank_JUNE_52_n54	Intensity_CH_250617_SGDRIVER_20250617_pooled_108	Intensity_CH_250617_SGDRIVER_20250617_pooled_87	Intensity_CH_250617_SGDRIVER_AR1_02062023_43_n45	Intensity_CH_250617_SGDRIVER_NOV_HB1_0513_32_n32	Intensity_CH_250617_SGDRIVER_NOV_HB2_85	Intensity_CH_250617_SGDRIVER_VH45BW_SEPT_93	Intensity_CH_250617_SGDRIVER_VH50BW_02082023_49_n51	Intensity_CH_250617_SGDRIVER_IRB30GD_JUNE_62	Intensity_CH_250617_SGDRIVER_NC15GD_02022023_72	Intensity_CH_250617_SGDRIVER_NC15BW_SEPT_104	Intensity_CH_250617_SGDRIVER_NOV_AR1_97	Intensity_CH_250617_SGDRIVER_NOV_Blank291122_26_n26	Intensity_CH_250617_SGDRIVER_NOV_IRB30BW_15_n15	Intensity_CH_250617_SGDRIVER_PR1_AUG_13_n12	Stoichiometric_classification	O_C	H_C	N_C
minutes	unitless	m/z	m/z	m/z	m/z	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	counts per second (CPS)	unitless	unitless	unitless	unitless
4	C5 H9 O1 N1	100.07569	100.0758	-0.21786636	100.07567	6495	6235	6491	7011	1327	829	576	760	108954	2167	0	351	545	1015	311	1185	0	1318	1197	0	0	699	330	766	0	0	0	6526	0	743	0	1059	828	1071	0	0	762	529	886	0	0	1684	0	0	0	0	0	0	0	653	6519	5765	889	0	72925	0	1012	1108	0	0	1001	0	837	51226	1067	1124	12032	1352	0	1714	0	0	743	828	0	975	0	0	650	0	376	333	234	0	782793	46006	967	1401	969	1186	0	0	1144	0	0	0	5990	6462	0	292955	151758	0	482	0	0	1001	162121	0	452	958	Peptide	0.2	1.8	0.2
0	C6 H13 N1	100.112076	100.11214	-0.34024942	100.112045	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17216	0	20635	0	22607	0	0	0	5747	0	0	0	0	0	0	0	0	0	0	0	22663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3817	0	0	0	0	0	0	0	0	Unclassified	0.0	2.1666667	0.16666667
0	C2 H5 O1 S1 Na1	101.00316	101.00329	-0.22623785	101.003136	11587	16939	11248	11810	0	0	3867	8938	1362	0	2582	20494	0	0	8099	0	5259	3079	4713	0	0	0	0	15136	7512	0	0	624	0	0	7299	6837	0	0	2070	8041	3798	4869	5202	0	2923	26361	0	0	0	3803	3739	0	7085	30369	12551	9556	2256	0	387	0	0	5510	1199	0	0	0	0	0	2577	0	0	5805	395	0	0	0	0	6974	0	7972	0	13204	0	1248	3073	1301	4293	2970	0	0	0	0	2857	3998	0	0	4453	0	0	0	13074	11347	1704	0	0	36119	0	0	0	4552	0	610	10945	0	Organosulfur	0.5	2.5	0.0
2	C5 H11 O1 N1	102.09134	102.09147	-0.09258747	102.09133	6317	6447	5964	5748	3929	0	4784	3401	3197	13651	8398	3117	3615	66735	3647	5339	3292	3548	3305	10707	3720	2860	3118	4586	3473	5271	34756	4265	3484	3313	2662	2524	2682	2979	3989	3406	3830	3276	1907	4470	6169	3977	5650	7471	7815	5724	5290	7142	3305	4758	4503	5957	2846	8190	3073	6773	4558	3593	3651	4569	105658	4744	32309	3027	75190	3314	6172	3580	10522	9256	5506	3001	2292	5042	2639	3660	8292	3170	3259	6547	3328	10056	3026	3641	4088	3837	3484	2730	3853	2824	4863	2816	4231	3647	20859	8214	4941	6086	7211	3428	3703	3406	3856	12764	4997	2443	3167	7385	2677	7459	Peptide	0.2	2.2	0.2
2	C6 H15 N1	102.12772	102.12786	-0.097564735	102.127716	2002	2297	2524	2242	1039	0	1030	3433	821	1551	1052	1337	1676	1324	1795	875	955	866	1044	1081	1219	994	1007	1062	1800	1983	1323	2232	17170	2400	8023	2654	0	2525	851	4519	975	1441	1142	1282	1032	0	3716	2550	2509	887	1691	2388	986	1368	1776	1450	1416	3715	1252	1305	1313	979	1702	2085	1453	1513	1861	1115	0	16022	1425	544	1809	2166	1072	5075	71987	40692	887	25607	3007	1637	1062	0	1174	2140	1635	1546	1783	2277	1344	935	1077	0	0	1020	0	1445	1315	2795	1530	2028	1473	1526	1743	1022	1232	1575	1885	978	1314	2683	1881	842	Unclassified	0.0	2.5	0.16666667
6	C5 H10 O2	103.075356	103.07548	-0.18161175	103.07534	6501	7475	7719	7467	2196	1919	1759	946	1780	44336	44186	1907	2724	6140	1864	1409	1139	1693	1248	1919	63263	1525	1355	1052	1377	2562	2253	12257	1090	1802	708	1445	988	930	6359	1753	1396	1627	974	13745	6518	1459	8945	3280	3571	10665	14863	2599	1299	1055	6758	5641	1986	2977	1358	1646	3096	813	53641	5223	1953	70896	2725	1485	3111	14593	5701	1051	2934	2084	2623	1721	866	1935	1568	1509	3797	1845	1529	15056	1838	2547	2290	8134	3204	2742	1164	0	1698	1466	3240	19701	0	12431	7118	2713	7628	8982	2649	1485	2981	879	1456	4147	804580	1326	2704	2842	1370	1264	Lipid	0.4	2.0	0.0
4	C5 H10 O2	103.075356	103.075485	-0.19082598	103.07533	9502	9593	9944	9509	2759	2381	1600	1964	1354	72665	50074	1059	4787	7333	1188	1199	1171	1979	998	2151	90182	2818	1309	1734	1737	1511	1746	4566	1566	1306	2094	1714	1492	2056	21420	1804	1223	1496	1353	25630	9544	2329	21540	2411	2576	7655	15378	2943	1702	1208	9853	8043	2704	2741	1601	1659	6672	1813	56017	5487	1352	64438	3814	1951	4847	86567	18535	1446	2038	4034	3889	1701	1328	2281	1007	1648	2634	1274	1597	6680	2107	1881	1810	3829	2058	3583	1443	2362	1945	767	8414	31202	1883	118113	38908	3008	9230	10266	2064	1898	0	1296	1381	3084	436027	2064	2554	3060	1929	1952	Lipid	0.4	2.0	0.0
2	C3 H5 O3 N1	104.03422	104.03434	-0.15514062	104.0342	3174	3027	2317	3938	5374	0	2113	2657	14628	2087	1965	2316	10043	3533	5171	3166	2365	5653	7007	3369	2598	4073	7126	2981	8830	2561	3850	1213	3373	2675	3878	2819	3324	2381	3109	3171	2776	4518	2360	2492	1511	0	2523	2714	3131	3120	2452	3214	2502	2613	2532	4101	4554	3570	22448	9769	4420	3719	3222	2107	5848	2537	10228	4343	4299	8464	3076	2077	2561	2554	2498	3144	2390	2143	1546	2818	3626	2593	5685	0	5197	3760	2948	3065	10218	7126	5063	4949	4582	4345	1458	3063	8542	2157	2926	3727	2839	3134	6976	3137	6251	2642	2786	2507	2913	3495	5769	3471	5519	8834	Peptide	1.0	1.6666666	0.33333334
10	C7 H4 O1	105.03349	105.033585	-0.25159454	105.03346	0	1002	1175	0	1189	2267	0	0	1273	0	0	0	3711	0	924	0	0	0	0	1213	0	0	0	34822	0	1248	1134	0	1211	1359	0	0	1266	0	0	0	0	986	0	0	0	5643	2160	1858	1810	0	0	2066	0	0	0	1057	1550	2446	1086	1629	1603	0	0	0	0	0	1314	1053	1761	1229	1257	0	0	0	0	1026	0	0	0	1397	1987	882	0	0	0	1101	856	0	0	1815	0	5873	3133	0	0	0	0	0	0	1853	1514	0	0	920	1822	1290	1323	0	0	1559	1251	1904	967	1436	Phytochemical	0.14285715	0.5714286	0.0
8	C7 H4 O1	105.03349	105.03359	-0.20784932	105.03347	0	854	0	0	1334	1201	1085	1170	1625	0	0	836	1418	1973	1185	0	1245	1228	1382	1036	0	0	1036	44758	1267	0	0	0	0	1722	839	1423	0	1611	0	821	0	886	1006	0	0	4194	1622	1265	1943	0	0	1767	1223	1150	0	1019	1687	2032	1193	1641	1370	0	0	905	0	0	1245	0	0	1584	1594	0	0	0	0	0	1920	1179	818	1471	1700	1473	1056	0	0	962	1185	0	1905	0	1477	6598	4236	0	0	0	0	0	0	1366	1367	1411	1179	1475	0	1476	925	0	0	1328	0	1336	1048	1780	Phytochemical	0.14285715	0.5714286	0.0
6	C6 H4 N2	105.04472	105.04484	-0.067616776	105.044716	1423	0	634	1462	0	0	0	18409	0	0	0	0	0	0	0	4372	0	699	0	0	0	0	0	3446	520	0	0	0	2154	5563	9227	1998	1553	820	0	1787	1055	0	0	0	0	0	0	429	0	0	0	0	2086	24116	768	1113	490	0	0	0	0	5992	0	0	5781	0	0	0	817	0	1037	0	0	0	0	7299	2277	2303	921	4364	259	0	618	0	0	0	0	0	0	1778	0	965	5563	0	0	0	0	0	0	0	0	0	0	0	0	1365	0	0	0	2008	0	349	517	0	Unclassified	0.0	0.6666667	0.33333334
0	C8 H8	105.06988	105.07004	-0.21651493	105.069855	12827	5686	19305	4063	19764	38683	34698	47786	9141	3302	149699	27353	5652	51803	28449	3275	65858	30589	20012	2670	6261	12091	26839	3227	3291	3679	3738	412069	86084	3700	68472	2707	122013	62094	11967	8855	0	35644	92072	4126	4771	10940	5724	5698	7110	5262	4763	7136	2874	3119	17727	14153	47471	4290	4948	6101	14728	5380	4476	4525	3796	3819	3423	5645	13841	5144	30759	90639	6387	15054	7830	33086	22547	3509	0	37075	5405	35045	61371	74441	38568	9389	4538	3840	6883	20893	66568	57335	77698	67252	4006	12237	100149	9272	4603	7049	14160	36551	13656	7424	7885	4237	0	3423	5474	60072	10493	5463	56584	3828	Phytochemical	0.0	1.0	0.0
2	C8 H8	105.06988	105.070015	-0.09853947	105.06987	64162	59690	32887	50589	14197	0	4123	14229	8737	74173	11646	3471	9252	11238	3999	28447	3576	9369	25224	6775	3093	37115	4351	214214	50968	2818	18279	18935	18590	87982	16523	80293	29938	34425	7044	87452	82810	3657	5133	5321	3534	21594	4407	4493	5642	49916	3323	6545	125614	55991	45814	47293	9811	4734	6207	5702	5179	211489	3087	3065	33372	2666	9278	3865	3201	20459	6084	9583	4297	3958	3744	64528	111120	96456	31540	85736	5004	3848	7157	2311	6143	5350	3095	2692	6325	3499	9959	9213	30329	189946	0	16103	29032	3498	4932	7557	46636	35353	9913	9448	9927	89061	5193	8717	4338	30028	4210	5085	4225	5509	Phytochemical	0.0	1.0	0.0
0	C7 H7 N1	106.065125	106.06527	-0.34486887	106.06509	1940	2048	2870	3121	1391	0	6931	0	950	0	1845	29958	0	0	49895	0	0	0	4137	0	0	0	5680	2295	3681	0	4468	0	1461	2029	0	1660	0	3064	0	1989	0	45090	720	0	0	0	0	0	0	0	0	0	0	2959	3470	2898	1158	401	0	506	6401	2996	548	0	0	0	0	4712	14395	1742	0	0	778	0	0	3981	4618	0	0	2271	0	37052	0	0	0	0	0	2066	0	7549	1236	0	4301	0	0	0	0	0	0	0	3488	1739	1158	0	0	1784	0	0	0	2671	675	0	2775	0	Unclassified	0.0	1.0	0.14285715
2	C7 H7 N1	106.065125	106.06525	-0.16490641	106.06511	0	0	0	0	368	0	0	0	0	0	1792	8598	0	368	10024	0	932	0	0	0	0	0	1002	0	294	0	0	0	441	419	0	0	0	0	0	0	0	20013	0	0	0	0	0	0	0	0	0	0	0	0	0	701	392	0	0	0	1591	0	0	0	0	0	0	0	8125	0	0	0	3644	0	0	0	0	0	0	0	0	854	1165	0	602	0	0	0	752	4401	1824	0	0	0	0	697	0	0	0	0	0	0	0	333	491	0	0	0	0	0	466	0	1601	0	Unclassified	0.0	1.0	0.14285715
18	C4 H11 O2 N1	106.08626	106.08628	-0.24032648	106.08623	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	471	0	0	0	380	0	0	0	0	0	225	0	0	0	0	0	0	0	0	0	0	3474	0	0	0	0	0	0	0	0	0	0	0	284	0	0	0	0	0	0	0	0	50073	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	389	0	0	Unclassified	0.5	2.75	0.25
22	C4 H11 O2 N1	106.08626	106.08639	-0.25843483	106.08623	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	388	0	0	0	0	0	0	0	0	229	0	0	0	0	0	0	0	0	0	0	1940	0	0	0	0	0	0	0	0	0	0	0	484	0	0	0	0	0	0	0	0	41246	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1095	0	Unclassified	0.5	2.75	0.25
24	C4 H11 O2 N1	106.08626	106.086266	-0.42879426	106.08621	1687	1726	0	1059	1008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2072	4685	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20808	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4437	7339	2102	0	285966	0	1071	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1816	0	28591	0	Unclassified	0.5	2.75	0.25
2	C4 H10 O1 S1	107.05251	107.05272	0.46204317	107.05256	0	0	0	6064	0	0	0	5632	0	0	8069	0	0	6318	2855	0	0	0	0	0	5766	0	0	0	0	0	14354	0	0	0	0	0	103834	1306	0	0	0	0	10266	0	0	0	0	0	0	280393	0	0	0	358670	0	0	0	46793	1278	0	0	0	0	0	0	9747	0	0	0	0	0	0	0	2870	18148	0	0	0	14669	0	0	633	0	0	0	18822	0	0	0	0	0	0	6719	0	0	0	0	0	0	3546	0	0	0	0	2309	2119	0	1642	0	0	0	0	0	0	Organosulfur	0.25	2.5	0.0
2	C5 H5 N3	108.055626	108.05574	-0.24230938	108.055595	2926	2289	2998	3349	0	0	29432	1344	896	989	3763	0	0	2196	724	4503	0	0	754	1116	1049	930	483	2348	51809	16688	19531	2236	0	3930	1257	1255	1089	0	2288	1684	715	3164	0	1416	0	0	0	0	0	3619	333	0	3047	0	2462	2473	474	739	329	539	3565	2138	1373	0	1164	9383	536	284	0	0	0	0	10565	4799	0	781	712	2039	28737	766	0	2703	10415	1900	33389	16202	52796	5192	3934	1482	3425	0	1097	995	2179	1700	1107	3675	13494	1351	3434	2796	0	647	701	1638	0	3263	20452	1930	1586	0	18298	417	Unclassified	0.0	1.0	0.6
0	C6 H4 O2	109.028404	109.02859	-0.07588837	109.0284	16873	16650	12498	18782	17026	203792	14863	19412	18969	9025	13248	15805	12523	24469	15821	12026	12868	16799	15194	9173	10731	15557	15484	12814	12886	11633	11213	10111	23690	12420	17329	15632	24362	27565	16680	15453	12395	14001	12251	13378	14269	25269	16386	17818	23623	16540	11696	21995	10776	11048	12250	15198	13189	16065	11602	14433	15975	16382	12176	9902	16477	11207	14033	12606	11948	14952	13360	12336	17414	7484	14069	27411	26028	17910	9369	27012	18080	12470	10766	10240	18001	19099	11028	10121	11772	12774	11603	19315	18511	13121	31094	9783	11955	11756	12296	23785	11689	20609	14567	17932	16889	15886	26692	10550	16059	11839	13173	18805	12289	12110	Phytochemical	0.33333334	0.6666667	0.0
4	C6 H7 O1 N1	110.06004	110.060196	-0.048883993	110.060036	41033	71069	60664	58934	56857	89468	49686	57044	150137	22299	33538	56681	59135	48278	62341	154843	74518	92733	63275	15043	14075	63179	44603	63930	56456	7353	51404	25549	46514	37818	127442	38995	85834	46263	30259	36798	65370	80698	73025	16859	10860	137572	17392	16106	20311	24044	11260	22761	91959	38725	62199	50489	66083	16293	37274	29479	95907	180589	10327	13321	206334	7792	93009	44513	124070	75242	100697	67931	12008	19586	13169	44302	36910	31957	31243	42756	14746	42234	34335	13887	40515	24066	16024	15532	36917	56858	38209	66335	92299	170893	25028	11579	117028	11810	13838	26337	45543	59051	43715	38641	35658	52682	62661	15987	12475	288273	30169	18780	77190	67567	Peptide	0.16666667	1.1666666	0.16666667
0	C6 H7 O1 N1	110.06004	110.06022	-0.12983203	110.06003	19935	18659	11993	12509	51015	70018	29795	47483	49262	7810	12445	24198	50769	68679	27585	19013	30618	56303	52961	9369	20572	48183	64032	15011	88663	11081	12234	27648	140284	19275	132545	31222	187371	60878	30263	26597	25868	68609	37984	13344	10113	27084	22535	18846	19606	17915	8763	17358	30636	14455	15840	18857	72781	12602	34741	22824	28746	42152	15121	11823	20770	8683	44311	28513	34605	40336	127900	27287	14771	8084	10604	47809	53405	28230	13373	46443	17348	42005	46957	56000	51000	20348	16043	9607	33630	48618	64188	37163	0	23368	32575	35803	18628	13912	13224	21681	13405	17705	31331	32994	26521	23024	62783	10049	13391	50558	30820	16283	55982	67682	Peptide	0.16666667	1.1666666	0.16666667
4	C6 H6 O2	111.04405	111.04423	0.0666915	111.04406	490220	587554	437888	511652	485064	508277	494835	484274	349094	356284	274141	288111	464156	5466705	278109	436610	373751	585153	524628	494723	317179	477552	278154	418650	271820	466562	632122	289391	394513	351060	486830	430028	425982	496806	461230	449664	387229	290671	469824	330272	373316	464592	573954	283606	376130	407328	365846	262411	470805	379226	544007	379406	417317	270227	341208	343203	375727	509639	194731	245975	537699	222083	821955	343042	3103199	669551	1171073	359333	237236	581608	445520	522100	445619	499460	354182	481095	163279	318367	281757	222035	326393	368644	509013	1839952	258491	279155	285512	504141	572096	309385	390359	298665	489741	226347	370123	419304	482445	529367	561754	295526	294792	360307	365897	279711	285684	412235	245276	210851	275978	575593	Phytochemical	0.33333334	1.0	0.0
2	C4 H5 O1 N3	112.05054	112.05067	-0.122618206	112.05052	1710	2951	0	1709	1607	15817	617	5664	707	460	0	1075	1068	2457	897	535	1586	2507	2466	0	498	1381	0	2904	3398	0	0	1102	26869	14614	4435	7195	5012	4909	437	3126	3066	1243	1798	377	0	12162	635	831	553	441	0	735	15800	1441	1428	2336	1599	812	542	422	854	10958	0	408	939	326	1153	0	0	1887	3209	2327	0	0	0	14043	49182	4360	0	3096	388	8225	1440	0	1134	0	0	236	765	873	2057	5060	5341	0	2531	7036	1857	532	0	1013	1630	2517	911	721	620	1861	1763	446	0	3301	0	549	1281	1251	Unclassified	0.25	1.25	0.75
6	C6 H9 O1 N1	112.07569	112.07584	7.87948E-4	112.07569	81524	94558	67002	81902	42254	58009	123910	185247	21174	36438	50040	144569	30126	47478	63219	174945	278820	44390	25557	16850	16800	28357	33209	43319	38608	4940	109030	85193	220820	264582	239257	231476	187991	255121	44388	179230	190051	66416	263206	4590	7322	49957	7444	6857	6373	14377	11128	6889	237691	159485	90112	94753	54451	6520	17459	13237	29293	145172	5464	8606	162409	4072	22919	13890	27787	45648	65915	250575	5410	10919	12447	202182	225194	326905	261221	287567	5362	140834	18449	41045	22605	13426	11688	28468	23253	33833	48790	39227	55688	59844	35658	22978	48749	15143	11733	6602	83402	54132	22016	15483	22169	182363	129622	10763	0	139218	27460	6466	35963	25676	Peptide	0.16666667	1.5	0.16666667
2	C6 H9 O1 N1	112.07569	112.07584	-0.06325633	112.07568	18896	19451	14516	21247	13353	0	22515	32819	13139	10110	9664	18831	11143	21243	17427	11278	14595	22524	16683	7189	7876	17471	13332	28536	26848	2944	7138	5855	49273	26048	33920	44198	30223	51437	12411	34383	37615	18672	19120	6628	4518	26309	6523	6876	7065	12432	5544	8344	38955	13516	16510	21341	15730	5897	12312	6977	11423	40805	5605	5134	18824	3211	12353	12065	10417	13609	23758	16013	5323	10602	6235	50671	58979	32717	6981	42777	5716	18084	10329	3751	11135	8229	6212	4638	8377	12904	11145	23254	33517	13442	8220	6495	19068	3852	4035	9769	17010	19188	12890	9068	9249	25468	25000	7766	5376	25407	8215	8279	18077	16015	Peptide	0.16666667	1.5	0.16666667
2	C7 H13 N1	112.112076	112.11223	-0.05112684	112.11207	801	1198	576	621	823	0	461	792	570	613	0	457	1274	548	541	860	488	632	471	560	601	790	457	732	800	572	0	1071	454	752	0	819	767	458	362	610	728	646	649	443	535	0	1200	714	603	625	481	693	823	0	0	0	561	665	624	691	781	1247	553	731	464	503	620	592	0	1171	766	0	0	651	0	588	557	477	713	538	787	581	521	0	516	0	0	472	517	654	485	372	582	34661	1823	0	739	502	590	821	0	621	522	775	521	1056	538	560	490	737	591	709	627	724	Unclassified	0.0	1.8571428	0.14285715
0	C4 H4 O2 N2	113.03455	113.03473	-0.15793875	113.03454	2880	4342	3346	3575	32572	17259	3444	5979	23056	2494	1996	4295	37723	27058	5085	0	7291	21909	22942	2372	7186	13203	8186	3012	6142	2510	1911	1887	4876	1798	6369	2415	13018	4773	7646	2702	5579	5452	9810	3824	1724	5760	2740	2650	2569	4594	2756	2734	3456	1564	3419	3520	19788	2730	16713	14983	6150	9132	2835	3445	2422	1691	54181	9458	6017	22138	16388	7378	2264	3373	2332	3389	3211	2614	0	3790	1877	2564	11326	3167	9417	4862	3252	3747	16898	7876	11856	8344	14137	12929	3107	2486	11076	3936	2093	4402	2831	2204	14183	12590	12136	3405	5331	2136	2844	9351	16173	2624	7083	61619	Peptide	0.5	1.0	0.5
2	C4 H4 O2 N2	113.03455	113.034706	-0.05541967	113.034546	3877	5320	4403	5153	6574	17667	2610	5382	3778	1904	3522	2245	5452	9877	5196	3591	4315	7084	5835	2059	1624	5178	3614	6875	5704	1310	2588	5923	4979	3678	7231	5418	10096	5103	5389	4325	6359	3510	5062	2318	1608	7333	2385	2487	2451	2844	1964	2479	5789	3629	5102	5152	7108	4124	3304	2866	3371	8330	1555	1998	4351	1065	6826	2030	3745	7321	7832	3925	1818	1957	1740	4993	3945	3875	1437	4151	1911	3542	2464	0	5773	2574	1840	1470	3388	4518	2517	8627	7687	3493	39420	7473	6686	1953	1940	4095	3768	4887	4548	3107	2754	6658	5410	2100	1927	8845	3054	2595	3293	6798	Peptide	0.5	1.0	0.5
10	C6 H8 O2	113.05971	113.059845	-0.07535366	113.0597	170639	138825	138365	148890	158697	173655	258005	170743	146863	65054	125384	139364	160923	999236	170888	144918	130301	162076	170013	89242	72994	91089	147465	125242	143127	145569	254447	285555	194263	194194	159430	176594	175204	168043	63077	163419	149437	159961	153680	77628	75969	169570	195396	143672	135000	119378	96491	153426	171563	137259	155959	164432	157866	123400	135051	168071	121097	206145	91964	103945	205937	72693	169575	114266	792118	204343	294800	152884	127404	122828	156607	171194	170236	172743	119239	188352	126413	125078	106611	227087	127030	140562	290619	480702	129867	169177	141178	146080	168544	121516	112222	142028	134735	92439	78759	135082	162223	155319	188769	138447	129310	150035	159657	104169	73331	130035	114786	142884	115984	147055	Lipid	0.33333334	1.3333334	0.0
6	C6 H8 O2	113.05971	113.05987	0.07645762	113.059715	368683	392936	320459	400062	450453	388488	573529	347330	304974	218827	441676	364755	548618	1453604	443489	320512	279970	479247	422882	188828	190632	238509	406616	299815	267416	441983	499229	574452	341240	305007	365564	354699	335776	380845	284322	294237	328495	420605	318499	108464	155296	305001	326573	147263	151883	228194	160080	137753	371180	297840	418427	404828	303884	155334	256896	344867	355163	360937	151769	182962	368578	129587	463614	154019	1970919	606539	554371	339627	177398	212278	271538	334001	320009	363638	190230	342922	126703	343417	285169	925090	328394	300139	415029	1821023	276383	337276	600226	340723	352781	409465	280965	316706	315373	304003	191537	156570	358349	376843	446836	231400	382738	329300	436943	171277	154086	282659	292847	145703	269521	419331	Lipid	0.33333334	1.3333334	0.0
8	C7 H12 O1	113.09609	113.09623	-0.086343475	113.096085	13762	16193	11176	12124	14278	13620	24424	12979	12225	4400	7959	16766	14328	70868	16708	13101	26436	10290	15735	6520	5724	6285	21289	7977	11499	21180	31763	16221	21555	15485	10952	20354	14495	18342	7075	21617	11215	16674	29010	4023	6252	19294	25346	6361	11686	5027	6905	5416	23212	12921	11687	14246	8711	9989	7895	15298	14703	12704	5667	9545	10417	6669	18205	10127	40760	27823	39806	25397	7328	9051	6594	13426	19640	15832	18105	20116	5591	14605	8996	53017	8298	9063	14385	140716	8935	10538	17643	13668	14379	15714	10611	7753	7967	9094	4381	9281	15163	15542	13961	10653	14248	10128	12022	5094	0	9776	7427	5699	10083	9070	Lipid	0.14285715	1.7142857	0.0
6	C6 H11 O1 N1	114.09134	114.09152	0.16102271	114.09136	955031	1044122	846546	903389	625898	617690	187081	399950	107726	747153	607924	152454	412876	1830695	217462	4952494	236548	852653	425832	322757	400581	305397	70648	2709117	135348	263591	427275	1178041	376363	2936916	1903607	628296	383779	361947	409513	418989	343059	339720	286086	0	319917	1274969	476237	99395	81888	450672	2835530	135117	4458946	305274	1090129	991498	720228	416194	415635	474726	1131025	5697513	129599	319377	5278338	343018	496871	5160240	3858979	698636	827532	511678	379559	636780	479974	187933	281892	400606	386538	463413	70443	265630	91242	330461	96908	258187	166042	185502	1924683	5440587	432787	1338110	514717	596057	554466	354292	622427	207956	389636	131312	797280	998041	212694	830597	3168006	326855	183011	574374	158721	2753378	3003804	146133	151683	247999	Peptide	0.16666667	1.8333334	0.16666667
4	C7 H15 N1	114.12772	114.12786	-0.08238576	114.127716	1185	981	1184	731	0	0	558	2071	0	0	0	1017	0	0	1070	3806	957	0	0	0	0	0	4175	16898	1645	0	0	3062	1025	471	782	1893	1068	1110	0	1569	1142	1580	1794	0	0	0	0	0	0	2483	0	0	1942	0	1084	0	0	0	0	0	0	3759	0	0	3457	0	0	0	0	0	0	2110	0	0	0	657	1489	524	0	993	0	1279	1840	4496	11180	0	0	0	0	0	486	0	468	1224	7532	0	32098	710	0	0	1885	1806	0	0	0	782	1235	0	0	22066	0	0	2176	0	Unclassified	0.0	2.142857	0.14285715
2	C7 H15 N1	114.12772	114.12789	0.020613873	114.12773	1508	1115	1209	1624	517	0	0	5543	286	419	0	306	371	271	326	1913	729	841	393	0	0	1216	2705	1289	1467	0	0	0	33533	661	10181	1092	0	2930	384	1886	701	0	1002	0	0	0	0	0	0	591	0	0	1627	1137	800	1562	0	325	0	268	0	2074	0	0	1899	0	411	0	0	830	5980	1718	0	624	0	3385	17523	12726	1831	11537	0	289	761	6634	1493	2140	0	0	366	245	1216	495	1125	2943	2466	2981	6681	1197	489	0	1358	1734	0	350	306	909	338	191	643	6473	0	0	0	0	Unclassified	0.0	2.142857	0.14285715
0	C7 H15 N1	114.12772	114.12788	-0.23451006	114.1277	1665	2918	4005	2288	15437	0	3244	0	2106	1573	1336	0	14240	36480	1494	2657	11272	5055	7734	0	1092	4524	0	2919	2605	1278	1486	4367	2000	0	0	1580	8478	1914	2298	0	4638	1049	11266	0	0	3209	0	0	0	0	0	0	1296	0	3010	2172	11806	855	1604	3473	6622	7030	0	0	3739	0	2450	2249	2994	5729	9900	13328	0	0	0	0	2220	0	0	0	0	0	3725	755	0	556	3551	6759	1784	3826	7556	3595	12068	18193	1578	1664	10225	0	0	713	2845	3356	4019	1959	1954	3029	0	0	0	10424	11961	376	5070	3167	Unclassified	0.0	2.142857	0.14285715
0	C3 H7 O3 Na1	115.03657	115.03678	0.25693563	115.0366	132291	132312	114387	99085	3671	0	19088	58446	11220	221211	24803	55296	0	9551	86655	84062	3795	2735	28706	239582	4901	17391	12579	203564	9619	1992	15157	3432	0	270103	12575	82094	4821	33636	15296	135791	26492	32872	583	177625	64834	27661	6894	426	0	344924	66267	1044	184473	224679	125758	120478	3555	3265	5165	0	12781	125930	48734	27269	158687	41771	0	17656	2274	24285	0	13455	497	41111	41312	42882	54570	114561	5811	115346	0	28404	0	0	2745	5538	30034	52005	0	33573	0	26297	44334	15652	52621	13149	238950	1114	181352	12018	105527	110771	2819	0	0	79316	33472	293466	15755	103453	1535	926	4252	0	Carbohydrate	1.0	2.3333333	0.0
8	C5 H6 O3	115.03897	115.03912	0.025698489	115.03897	154130	177095	128135	166518	212008	210482	76639	170500	234871	88355	85852	82238	331767	1000368	196931	104577	56088	180658	262439	188732	90960	141422	205049	175472	300959	65720	71282	161721	224110	138398	159185	171782	176694	134319	203247	154337	126247	118363	56287	115205	43829	158255	193971	134342	189943	151330	42245	156779	135524	111801	148834	148036	169881	160105	332535	151518	140016	184758	129964	45406	401880	66153	511337	165236	439835	264436	210368	46817	63986	245195	65684	159454	102631	155689	33653	150140	131718	150333	66478	101496	97863	111264	91363	71366	170925	166800	75534	135321	189999	45936	107973	233116	207572	86043	56039	152732	164707	177801	151972	107690	104514	128457	148423	126702	57997	133041	118268	141993	75436	320615	Phytochemical	0.6	1.2	0.0
2	C6 H10 O2	115.075356	115.07553	0.0405852	115.07536	53274	51745	45957	54539	42687	34267	241158	41747	47213	27257	57513	32961	41181	95571	45131	43606	34564	43649	36115	33899	31317	40809	32319	41891	49155	155971	182622	36158	43577	48582	43087	54587	39462	53222	35854	48212	38314	42350	33662	44035	29767	45131	60880	53550	55058	38706	40335	57849	46806	44133	42836	56090	36271	62390	37060	47423	48333	43856	37013	44829	43644	31241	47737	27966	431032	38916	40708	31205	137102	49741	43338	55608	55805	55612	49799	58347	50368	38669	43539	38964	53529	67341	102905	256012	46644	50274	63472	44068	44537	31132	32534	30671	38950	26399	31493	72446	46921	58968	71604	48498	51504	43179	46838	61747	44009	35159	48905	52808	43622	43435	Lipid	0.33333334	1.6666666	0.0
6	C6 H10 O2	115.075356	115.075516	0.043533534	115.07536	293695	343466	272734	308680	96037	83180	240253	82235	76055	65783	295499	66826	128828	680480	101154	77912	58943	106211	110355	56032	50214	122451	98029	159308	82139	251957	264853	5087494	79126	76685	78773	100212	89594	87315	75994	80326	80997	95886	76664	28243	50189	94147	160225	73125	66840	101199	54005	60547	88632	76070	321756	313604	79410	79966	67471	157458	130730	90208	52586	75351	97785	54844	167735	57025	780792	170295	207011	70765	69099	150729	77358	84314	82955	92141	39847	90719	61739	63234	61195	11433396	79256	151154	244105	946114	89703	105589	118975	91009	98306	84052	1320299	983253	94808	1756692	314727	73434	281339	279259	200833	78817	84956	77819	88396	65031	51937	72366	79850	76878	76680	110379	Lipid	0.33333334	1.6666666	0.0
8	C6 H10 O2	115.075356	115.07551	0.006821069	115.075356	82203	92010	73474	80737	49846	54539	289743	46866	47221	25806	89764	54043	60241	455300	62174	38116	50721	49032	60960	33237	28592	30168	51127	40541	51891	335993	326729	748828	47572	44472	49094	48376	43720	46960	37854	46950	38165	57035	68026	27555	62552	72023	129735	73379	81926	39107	38058	77973	48143	46187	64043	77875	43325	78222	38909	163319	104544	39764	42547	54485	41303	59635	129568	40935	747099	89010	114280	48921	102582	87125	57191	48684	45160	50727	31040	58957	72325	51568	43824	1075828	46374	138128	312778	1185961	133470	69362	69848	52020	53353	46108	101644	79001	47208	144745	35116	75873	82029	79025	166268	62665	59238	42123	62401	34476	44206	36042	78384	75691	46335	53410	Lipid	0.33333334	1.6666666	0.0
10	C6 H10 O2	115.075356	115.07549	-0.059477583	115.07535	115348	98184	92432	89777	65271	78180	162427	51950	40212	37810	65362	39183	74101	381443	58652	48224	44390	69283	54465	36317	27304	514655	39623	41299	45218	106668	155315	464337	54702	54756	57661	50799	61357	49643	38423	52501	61005	50790	54242	45263	41580	70615	190479	85905	77482	48364	27496	90026	52358	43103	101552	109865	52665	101824	50711	101949	51759	50977	31877	46822	60923	27148	138179	48606	264645	76387	101707	44123	56416	61916	43160	46675	42677	57196	31937	60130	75684	39231	32880	949108	41088	109802	266730	399089	47974	84815	54224	59486	52806	34813	1449770	1792566	41100	140772	51558	88493	103702	123503	137791	41067	56144	54559	52464	46774	25255	42574	50061	94300	39095	62258	Lipid	0.33333334	1.6666666	0.0
4	C5 H10 O1 N2	115.086586	115.08677	0.16900435	115.08661	7271	10956	9773	8045	23336	17265	2831	11480	7667	4008	5263	4534	12481	14734	3696	18333	9683	28032	22244	2567	907	5799	5316	11051	4533	0	3632	7389	15768	7521	16222	20161	19317	18842	4731	10463	15475	4393	7158	0	0	20228	0	0	0	1960	0	0	16237	10498	9984	8274	20934	0	7377	2156	5723	24939	502	601	17402	0	16234	6770	3768	19597	15254	12850	0	0	0	10435	12110	8919	11629	8895	0	2992	4075	6009	3621	619	472	0	1862	6356	9069	20149	21402	11238	8033	4075	11915	871	0	0	5906	7910	5420	1952	1961	14567	3962	3162	0	11695	6227	0	4655	14946	Peptide	0.2	2.0	0.4
0	C5 H10 O1 N2	115.086586	115.08674	-0.17626953	115.08657	2167	0	1810	0	5947	0	0	3916	15508	0	0	0	20096	14704	2080	0	4333	7062	6334	0	1293	5439	4179	2821	5487	0	0	2720	8943	0	4279	2148	18122	3348	16989	2452	3134	2808	8302	0	0	2424	1992	677	0	0	0	545	3243	0	1606	1908	4545	7167	26015	16085	0	6266	821	909	1872	0	43212	2200	2878	11137	12328	4301	645	0	0	3125	3576	0	0	2594	1714	2299	6940	13557	6331	976	0	0	15182	1747	9260	3457	2925	9521	9688	5635	8882	1066	0	458	0	0	5953	13545	5031	0	0	0	0	8878	18510	426	4143	34634	Peptide	0.2	2.0	0.4
2	C4 H5 O1 N1 S1	116.016464	116.01665	0.04686528	116.016464	2258	2493	2087	2387	821	0	0	4781	777	3794	0	0	723	1744	323	7765	970	1187	1897	5529	839	809	0	5071	559	371	0	0	2926	6028	3675	2292	2459	3525	957	4551	544	753	0	8970	1779	4615	693	276	291	21444	1700	0	4851	2832	1938	2830	640	1607	593	0	2082	5046	0	0	1921	0	1236	881	3946	7578	962	3885	0	10234	573	3275	2079	3687	1824	4869	0	0	422	0	303	0	0	0	5811	6492	432	1242	4204	1984	0	0	2024	0	4632	1182	2077	1909	592	2388	5054	567	0	837	0	1209	3881	0	711	808	Peptide	0.25	1.25	0.25
6	C5 H9 O2 N1	116.0706	116.07076	-0.019136976	116.0706	6789	10443	7955	8356	7253	9177	5301	8579	6991	2756	7329	5220	7154	11225	8222	8132	7191	7628	7288	2852	2901	5331	5096	6007	7302	2773	5616	25174	8130	5724	7787	8123	8834	8134	4792	7341	6474	7426	10510	2773	2456	7249	9096	12156	9982	5394	3184	10766	7181	4877	10891	8352	7367	11125	5947	5735	7105	10344	3543	4834	7291	3315	6655	4163	11856	7522	5782	8842	4494	3682	3629	6863	7024	5832	4522	6872	9172	5243	4764	45010	5999	6695	5705	3243	7735	8181	7611	7622	9894	10569	105145	41356	9502	10694	5655	10757	7216	7448	7993	5718	7202	7265	7642	3281	0	6712	7056	12357	6445	7565	Peptide	0.4	1.8	0.2
8	C5 H9 O2 N1	116.0706	116.070755	-0.00627441	116.0706	4898	9416	5094	8067	6400	7843	4635	6035	6713	1222	5059	4461	5692	7219	6633	7398	6198	4663	5660	2681	2483	4161	5586	6157	6336	3033	5650	22135	5232	6399	5657	8761	7517	5075	3679	5101	7325	5889	6179	3486	1945	5654	7183	12215	12452	3923	1284	12297	6824	5803	6792	8290	5598	11550	6935	5434	5489	8300	3999	4169	6626	2234	4591	3318	5326	6710	5153	5872	0	2382	0	8391	6019	4498	4791	6885	10160	6144	5100	46505	5971	5389	3652	2529	4666	5119	7493	7600	6753	11262	164019	44030	9861	12636	3627	10569	7033	5425	4550	4077	3958	5652	7136	3355	0	6426	4596	12790	5946	4618	Peptide	0.4	1.8	0.2
4	C5 H9 O2 N1	116.0706	116.07078	0.01998413	116.07061	21205	27563	24490	23834	24622	27925	8351	19000	13196	12121	25321	9133	24402	25095	9411	18196	15258	20481	18320	12151	7007	13043	7744	18264	10610	5091	8999	70284	20171	14132	21139	21766	20863	22508	79386	19020	14645	8837	12767	18409	5623	31317	16256	14378	13464	30756	6298	18304	26031	14262	24032	19121	19696	19569	12608	10123	19862	26889	6798	7449	15638	5663	35427	12197	14807	21393	22345	12681	5192	13263	8698	18478	16434	19333	9126	16372	10980	12099	11094	194843	27866	10090	9633	8388	9431	16622	10488	29094	27663	13936	524631	222935	14433	42064	20496	19913	20803	20986	40504	9939	12766	14819	14088	16302	13084	13780	14804	15873	9399	14895	Peptide	0.4	1.8	0.2
6	C6 H13 O1 N1	116.10699	116.10713	-0.072419226	116.10698	4090	5589	7226	6767	2331	7524	3018	5983	882	2695	1891	1944	2869	15494	5641	9453	3033	3942	4615	2255	1894	1131	4797	7192	5557	909	3599	5466	50473	25497	40521	25127	4962	30663	3346	18441	6039	4600	4646	0	0	5023	1811	916	932	2298	0	830	39809	6721	6906	5398	6607	1170	1961	1296	2579	16350	1156	690	10139	0	2310	0	2322	9039	4795	6030	0	1822	0	8318	40331	49770	16771	47678	1033	2264	3025	0	2571	3392	1567	1142	0	3386	7653	4790	5771	4704	0	0	2678	593	1368	957	6214	4030	1927	1220	1991	6629	3483	2300	0	6099	2498	947	3751	1301	Peptide	0.16666667	2.1666667	0.16666667
16	C5 H8 O3	117.05462	117.054756	-0.18622197	117.054596	7641	8459	9564	8248	10247	10921	10850	7089	7240	3350	13597	6526	7525	16847	7641	4011	3688	5725	7424	5083	6190	2540	6173	4842	3736	2414	9148	54118	5921	5642	5847	0	9759	7154	7111	5326	6188	7664	4301	4266	2994	8333	12852	16181	16440	3617	1635	17170	5609	4151	8533	7522	8476	13426	72426	7467	26420	4452	18078	2424	0	7757	8773	6403	68704	13861	19465	3916	5399	3724	3595	5153	4121	7278	4331	5074	18026	3604	5564	37912	4744	8446	8025	5627	17070	316544	6865	6310	5944	0	6619	6370	0	7429	3990	16267	8292	5998	10382	5151	18470	6327	4378	4306	108267	0	55256	15802	6644	6411	Lipid	0.6	1.6	0.0
2	C5 H8 O3	117.05462	117.0548	0.072785825	117.05463	273665	264782	220451	268786	49829	102549	1903232	81415	122173	39784	426899	41471	82260	202584	61697	64134	30621	92067	66145	39941	31324	55303	38909	53527	34922	1545745	989872	922027	84786	70206	83233	81464	80640	72152	44315	71932	73104	1053607	36086	37566	266738	52823	92620	37603	41415	41672	435700	41474	86990	53646	260088	280434	49179	45219	48910	161313	293219	78489	29645	40488	87272	908429	83329	29252	470252	81212	118623	79042	852124	44853	153036	96902	86563	111137	622445	88125	52240	44493	632646	250223	530357	1158026	1410451	1542289	1422029	1813647	898061	55016	58561	83594	73019	45360	52580	594975	42752	50186	272220	275749	461793	308068	407175	68551	49197	39317	959448	56537	1067808	43456	866029	66483	Lipid	0.6	1.6	0.0
14	C5 H8 O3	117.05462	117.05476	-0.094900064	117.05461	10555	10910	11004	13038	13038	9970	9835	7277	7982	4828	10666	5758	13123	18010	10808	0	0	8763	7649	3416	0	5448	6439	4924	7721	7446	10410	12047	4737	7582	6473	0	9925	6194	3818	5319	6141	9413	5358	7941	3934	7744	19445	20949	15217	7143	3852	21521	5944	5510	8848	8287	9268	14654	11082	8389	12490	6880	41048	0	0	20324	8781	10343	21074	15335	9246	5979	0	4551	3473	5707	7240	8611	4033	5615	19604	7398	5839	0	8982	8808	11756	8337	8345	12981	7830	7132	7975	0	9108	7156	8356	4996	5354	18067	9990	10746	10213	8339	8451	5967	7541	5985	736513	7501	9129	20387	6183	7040	Lipid	0.6	1.6	0.0
6	C5 H8 O3	117.05462	117.054794	0.087754846	117.054634	470638	356682	420436	426540	29498	35654	2133705	24361	27899	42048	906560	15430	51613	168178	29433	15012	64270	30053	28660	22334	26347	22373	18052	23751	20482	3476858	2714990	2227753	24308	22317	24344	20037	23021	24065	28146	16994	20214	220526	31215	25568	2446439	28028	66973	32269	33496	52207	2242887	36493	18924	19002	420717	435590	26056	40715	25386	76288	165860	22292	156800	75642	43718	417538	72591	17008	394407	66396	73947	1005884	3365977	53550	125418	23419	19785	27651	258618	23274	78645	13634	1292381	855723	715746	1729282	1180375	1478885	2591186	1002268	1904672	29775	27580	778746	34711	51173	22380	936387	50624	31448	393348	422756	0	209314	1194641	18509	23611	33352	2559469	15276	1762854	45245	1245529	32776	Lipid	0.6	1.6	0.0
8	C5 H8 O3	117.05462	117.05477	-0.012374394	117.05462	66769	74064	58033	71182	33063	37958	46481	13880	19833	45414	124436	12929	43810	61078	28293	15642	12828	16903	19722	12080	39525	17533	17013	12840	17701	50747	49783	279130	19661	18641	14546	17671	14637	18770	37671	15425	11536	31279	12387	66637	23092	27310	38103	29670	35086	50347	27785	34696	19700	12184	63205	68962	19388	30574	23984	18342	108622	14087	475194	11288	16649	579034	53957	19655	173428	180587	231978	18741	49803	23191	19762	16799	14261	18638	13365	16850	33864	13599	23492	220322	19131	63506	36806	38515	50364	98532	37621	21759	23133	15639	45987	71528	13353	131483	28445	26704	65097	67049	29834	24215	65472	13627	16855	16515	3155331	11369	45188	35096	32786	20092	Lipid	0.6	1.6	0.0
12	C5 H8 O3	117.05462	117.05477	-0.012426163	117.05462	28676	46396	39339	34407	15466	10608	36981	9227	12039	7336	30822	6188	10489	33168	12124	6690	7231	12246	9839	7057	6177	6696	7307	4947	9164	37348	89406	36628	7722	7177	8619	9115	11131	9769	5381	10889	10362	14096	12536	11562	250061	13437	16630	24673	21625	15669	60573	26359	11205	5994	39251	31215	13894	20070	11767	12282	18663	7318	111351	10553	0	73489	14440	8613	36525	19219	19510	233386	31159	9117	7174	9149	7647	10679	5932	10710	19761	7191	26142	26395	15575	24480	20907	27632	35352	24798	34381	8769	11575	75170	12192	13269	10263	21664	6526	20542	33742	27281	11732	16750	21416	7411	12454	6567	3046852	7181	27670	23960	15319	10170	Lipid	0.6	1.6	0.0
10	C5 H8 O3	117.05462	117.05476	-0.042664573	117.05462	38713	38859	33941	32235	20479	17371	21503	10281	14658	10328	58798	8057	16824	42405	18249	10956	7428	12821	11416	7247	10593	8301	11641	9664	10848	18725	19687	210204	10381	10461	9990	11062	13678	11342	10430	10444	9501	18678	7035	32977	10026	12925	32195	26651	26333	20054	10046	30318	12465	9394	36305	32548	15132	25881	19282	13027	31305	11581	203216	7929	13447	120531	21311	11307	75284	58896	58408	9690	14410	13396	9006	11105	10679	13888	8127	10467	29485	9565	11739	156984	13052	25161	23718	19069	24897	53253	20390	12990	14699	9949	17274	23170	8109	86941	9109	23489	31800	34244	19408	13309	17708	9717	10885	10070	3186568	7900	21038	30338	13944	13242	Lipid	0.6	1.6	0.0
14	C9 H8	117.06988	117.07001	-0.11656116	117.06986	6913	8423	5842	5448	7822	4898	9884	7596	5808	5331	4355	5142	8067	9587	8385	7627	8480	5389	5685	7202	5837	0	6103	5001	8725	2050	7578	0	8170	8838	7593	11237	21554	8726	5804	7437	8543	6399	8515	4251	0	7645	3246	1312	1143	5226	4246	1423	12593	7849	5754	5805	5221	1879	6396	6044	6418	11250	0	0	0	1449	4219	6482	4963	8063	10856	12476	0	3680	3439	5172	8554	13202	9487	9752	856	5487	5290	0	6354	6181	4809	4102	5117	6157	8940	5194	6914	12745	11094	8976	10395	0	3710	1986	6996	6132	5970	9168	8006	14049	7346	5298	0	5834	4385	1406	4703	4155	Phytochemical	0.0	0.8888889	0.0
10	C6 H12 O2	117.091	117.09115	0.04427592	117.09101	0	0	0	0	0	0	0	0	0	0	2229	0	0	1412	0	0	0	0	0	0	0	0	0	0	0	0	0	71984	0	0	0	0	0	0	0	0	0	0	0	0	0	1064	2943	1557	1033	0	0	1310	0	0	1207	0	702	1699	0	1247	946	0	0	0	0	0	0	0	993	1060	1534	0	0	0	0	0	0	0	0	0	1132	0	0	8985	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1335	1152	0	0	0	0	0	0	0	0	0	0	2047	0	0	Lipid	0.33333334	2.0	0.0
4	C5 H12 O1 N2	117.10224	117.10242	-0.014167378	117.10224	3237	4438	4581	3727	20472	12971	1103	938	15739	0	1957	1010	6593	22230	1115	1620	1257	5271	4997	0	1085	3099	1272	1815	1681	0	1360	0	1183	650	562	0	625	0	1789	786	736	973	1520	0	1119	63362	1400	1142	1369	1368	1907	1118	0	758	3896	3815	12784	1556	3086	2212	24657	1582	973	874	2266	1383	4663	3269	14506	7732	53407	1757	0	0	0	646	0	905	1752	800	1205	1057	1267	3613	990	3922	1106	589	11154	15426	2023	3232	3038	8698	0	1295	2445	2333	1196	1392	4771	4396	16223	3715	12404	857	748	1591	3533	3951	82802	1207	1915	7486	Peptide	0.2	2.4	0.4
4	C4 H7 O1 N1 S1	118.03211	118.032295	-0.05171716	118.032104	0	726	0	451	0	0	0	0	0	0	0	0	0	0	256	0	0	0	0	0	0	1180	0	0	234	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	521	0	0	0	0	0	0	0	0	0	0	240	0	0	572	235	0	0	0	0	0	0	0	0	0	0	0	7384	25718	1318	0	0	0	0	216	684	0	0	8565	5537	2342	1836	1929	2360	0	0	560	0	0	0	0	0	0	0	890	0	0	0	0	Peptide	0.25	1.75	0.25
2	C4 H7 O3 N1	118.049866	118.05005	0.07384245	118.04988	6628	7716	6739	7260	15021	0	5098	15117	20374	3162	1984	4550	32188	12791	14164	10170	3903	25571	28522	6941	6103	14877	12682	18629	15252	2595	4765	1713	19587	8844	14407	9771	18399	12155	11114	9169	10162	11435	3037	4913	2165	11668	3224	2818	3993	8331	3411	2906	11946	6578	7007	9044	13983	3853	37088	13350	6882	15070	8165	2698	20550	2432	39365	9576	6825	21550	17653	3626	3724	5847	2275	11967	10319	9237	2781	9326	3150	6171	10718	0	8036	4567	5029	3353	13357	10470	11808	8878	14674	7870	3353	5782	22289	2463	4296	4393	6985	7917	12961	7632	10006	12349	6282	11200	3379	11746	8275	3337	7585	37565	Peptide	0.75	1.75	0.25
14	C8 H7 N1	118.065125	118.06518	-0.18582536	118.0651	0	0	0	0	0	0	0	0	0	5458	24871	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35003	0	0	1753	0	0	0	1935	0	0	0	1369	0	0	0	0	0	0	0	0	0	0	1206	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1129	0	0	0	0	0	0	0	0	0	0	0	0	0	3729	3247	2792	0	0	0	0	0	0	0	0	0	0	0	0	0	1578	0	0	0	0	Phytochemical	0.0	0.875	0.125
2	C4 H6 O2 S1	119.01613	119.016335	0.2468489	119.01616	4680	4371	4104	4146	0	0	2050	519	0	4525	13165	525	0	1463	1644	929	12312	0	0	0	0	471	0	1249	3027	0	29586	155018	452	3631	0	968	0	0	908	1944	0	721	21817	0	0	10318	0	0	0	505	0	0	0	1455	3380	4387	0	0	0	0	0	0	0	0	0	0	0	0	0	0	550	18066	0	387	472	0	491	2905	278	13342	0	0	1061	147223	488	9425	0	0	484	598	2364	604	0	2917	52622	35325	1577	18557	3627	0	2622	2994	949	0	0	0	1608	409	204	0	267	0	723	0	Organosulfur	0.5	1.5	0.0
18	C8 H6 O1	119.04914	119.049286	-0.09099255	119.04913	7259	7438	4807	6774	5149	7429	4051	5845	3492	2967	1970	4576	6329	7321	3485	5946	5428	6104	6572	0	4635	4762	4651	3624	3049	1745	3814	4798	69956	5753	5751	47515	11064	145981	3922	46487	6683	4682	7184	3127	4543	5563	2634	2298	2372	3401	3629	1844	4712	3646	7204	10321	6895	2214	5974	3240	5002	7377	5050	4970	2951	2482	4705	4707	4370	7103	7079	9314	1674	1850	4754	4924	6961	7064	5650	155523	1785	4286	4421	2919	4741	2200	2639	3259	4229	5848	4671	4783	4498	5182	6544	5974	5925	2548	1475	3688	5541	6040	4153	6357	3126	3929	5244	2685	3147	5700	2867	2822	6159	4603	Phytochemical	0.125	0.75	0.0
16	C5 H10 O3	119.070274	119.07034	0.17012234	119.07029	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	159214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1156	2180	1407	0	0	1950	0	0	0	0	0	1600	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1544	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1903	0	0	0	0	0	0	0	0	0	0	0	1853	0	0	Lipid	0.6	2.0	0.0
22	C5 H10 O3	119.070274	119.07051	0.043765135	119.070274	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	94706	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1220	0	0	0	0	0	0	0	0	898	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1161	0	0	2249	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.6	2.0	0.0
20	C5 H10 O3	119.070274	119.070335	0.16925842	119.07029	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45138	0	0	0	0	0	0	0	0	0	0	0	0	0	0	976	1688	1091	0	0	2018	0	0	0	0	0	915	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1282	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1382	0	0	0	0	0	0	0	0	0	0	0	1781	0	0	Lipid	0.6	2.0	0.0
12	C5 H10 O3	119.070274	119.07037	0.06986409	119.07028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	172734	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1559	2469	1551	0	0	2836	0	0	0	0	0	1460	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1135	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2691	0	0	0	0	0	0	0	0	0	0	1076	2494	0	0	Lipid	0.6	2.0	0.0
14	C5 H10 O3	119.070274	119.07035	0.12419687	119.07028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	121519	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1837	1143	0	0	1687	0	0	0	0	0	1503	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1310	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1766	0	0	0	0	0	0	0	0	0	0	0	1909	0	0	Lipid	0.6	2.0	0.0
10	C5 H10 O3	119.070274	119.07036	0.12929346	119.07029	0	0	0	0	0	0	0	0	0	0	0	801	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	112034	0	0	0	0	0	0	0	0	0	995	0	0	0	0	3113	3307	2145	0	0	3170	0	0	0	0	0	2595	0	0	958	0	0	0	0	1150	0	0	1691	0	0	0	0	0	0	0	0	0	0	0	2081	0	0	0	0	732	843	0	0	658	952	834	0	0	0	0	0	0	0	2612	0	0	0	0	797	0	0	0	0	0	0	3765	0	0	Lipid	0.6	2.0	0.0
16	C9 H10	119.085526	119.08568	-0.06308442	119.08552	134074	178734	126120	150444	162546	185747	259762	146613	131080	92430	81256	108653	143696	323142	139993	176219	187272	170847	264330	133794	103128	113106	108713	106451	121618	161522	257408	91537	145321	158139	158868	189134	199488	139063	111125	165361	170427	115206	202374	93650	79746	151727	60964	35233	33457	104081	82635	37042	194779	136572	163377	157649	157673	39866	127521	276537	208220	214744	76097	100038	133599	54043	146218	97904	180019	198407	217526	209438	45367	90268	72179	113304	159527	196266	184825	219136	30030	86331	123072	134906	97903	108370	269365	306053	152222	137697	157312	142203	193274	243043	179085	149235	129566	69594	114253	38243	145018	138698	300695	163425	222630	187012	99918	100676	37568	117687	150261	34272	134586	147380	Phytochemical	0.0	1.1111112	0.0
12	C9 H10	119.085526	119.085686	0.04532422	119.08553	98936	143452	116125	105058	137994	105302	146965	101265	111367	70136	66170	56030	97830	155656	74822	156806	126252	157592	166511	92893	85829	83897	81308	60700	81117	65534	174694	54489	120942	114999	100234	158750	165805	134540	105312	128119	142135	81956	170169	60797	61463	102505	20232	23175	22083	55428	78327	25448	149111	93888	115700	129139	121966	28819	122543	89982	102870	136198	56821	79559	98842	37879	137070	100923	106754	160725	128202	140638	40125	56051	64270	82868	114469	134075	163169	152542	20895	75914	70269	64438	70363	83722	162927	173191	125004	97465	116575	87265	122220	152005	125704	97261	83386	47205	87063	26509	121561	106488	116375	141796	155486	138435	83442	87444	32726	85036	125646	20303	69945	129318	Phytochemical	0.0	1.1111112	0.0
14	C9 H10	119.085526	119.085686	-0.018863654	119.085526	176728	173097	155234	176401	195489	463091	192278	146662	139222	103263	74747	87172	160242	751636	126646	163225	194800	203866	587689	116463	112027	108552	96028	165380	112152	81973	205772	88092	157272	175497	140807	203271	216730	154738	149135	185262	159574	107460	206452	134533	77277	176864	91940	60602	32450	244537	160907	61837	213995	127565	187009	163747	171463	45104	128534	128864	147741	273372	66036	116006	128932	44873	163403	142336	148516	221902	179214	188382	35894	174509	82704	117366	142736	185205	154993	222555	39037	86608	96146	113251	104091	96805	205894	252924	172536	144271	167510	177561	510642	208562	379477	101735	140728	55771	195817	59576	171209	162053	140584	213378	259658	154685	123043	138385	44798	199518	189518	54426	111306	124755	Phytochemical	0.0	1.1111112	0.0
0	C2 H5 O1 N3 S1	120.022606	120.02275	0.2450563	120.02264	0	0	0	0	2101	0	0	0	1489	3806	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3509	1252	0	0	0	4035	0	0	0	0	2284	0	0	0	0	2079	0	0	0	0	0	0	0	0	46324	0	0	0	0	0	0	0	0	9010	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2197	0	0	0	0	0	0	0	0	0	0	0	0	2955	0	0	2043	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10377	0	Organosulfur	0.5	2.5	1.5
10	C7 H5 O1 N1	120.04439	120.04456	0.1511902	120.04441	80452	79812	76563	66549	26108	83679	23216	129065	6588	43826	154567	47622	16073	46148	31262	142722	38621	26191	34513	7378	7839	112952	36668	165366	68704	0	36590	1755087	119519	97675	107210	163230	128090	193931	0	99346	122097	40565	46836	6610	3934	86752	1781	1666	1453	36722	2977	1802	190406	86129	78827	81554	49537	1373	3571	1381	19063	233876	5890	4717	201671	1492	11004	13945	21055	17307	109003	48692	0	13480	6005	183460	174003	46092	35096	124604	1091	63356	18656	332656	22944	7967	9913	3504	2346	10748	33916	73062	119235	110710	586080	289009	108323	69064	20048	2018	87161	46461	9232	2454	1072	106201	51345	21976	0	119485	3114	1667	46063	17374	Unclassified	0.14285715	0.71428573	0.14285715
0	C4 H9 O1 N1 S1	120.04776	120.04808	-0.8605448	120.04766	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	266485	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1024	0	0	0	0	0	0	0	0	0	451	673	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2003	0	0	0	0	0	0	0	0	2295	0	0	0	Peptide	0.25	2.25	0.25
10	C6 H5 N3	120.055626	120.05578	0.054212775	120.05563	9925	11794	10452	8854	79234	35855	16229	0	7980	1262	4844	0	8363	78739	1143	0	22417	5388	2848	0	0	0	0	0	9413	0	32449	0	2407	0	0	1260	0	2289	0	1476	1143	3681	39529	0	0	108020	572	0	349	0	0	0	3171	0	12107	11269	79800	449	7393	10446	355619	0	5899	10460	0	0	0	8650	140078	89714	179195	39819	0	0	1691	1837	0	0	9222	975	0	0	1065	0	1304	1888	12274	0	6454	38855	878	7552	10791	1939	0	2075	0	1378	0	632	11646	7005	65228	11881	18649	0	0	3501	0	0	105703	0	3243	0	Unclassified	0.0	0.8333333	0.5
0	C4 H9 O3 N1	120.06552	120.06573	-0.005168752	120.06552	5109	5801	5817	5490	125011	345245	6745	75253	50583	1029	3523	29094	180510	190305	12300	0	28655	123762	124800	2343	56335	68061	38398	1733	26078	2060	0	5874	115808	0	114454	13491	209821	72777	277128	13195	31407	17253	30568	22372	1866	39188	35754	5304	3231	19653	0	6537	12069	0	4621	4419	111621	65177	49170	26451	8743	57660	9251	15222	0	3914	198957	47990	18203	0	143175	41251	6054	30254	4850	52343	58114	10939	0	41929	4475	41768	27737	12736	60996	0	9042	0	24364	18324	30271	76481	60407	62842	0	33093	11144	5443	0	21123	4922	5333	25787	21362	32007	3086	50884	0	13874	86503	35722	5595	14691	194460	Peptide	0.75	2.25	0.25
12	C8 H9 N1	120.08077	120.080894	0.09235008	120.08079	0	2748	3097	3982	0	2259	0	0	0	0	0	0	0	0	1034	3972	0	0	0	0	0	0	0	0	1489	0	1275	23750	0	1291	1382	1995	0	2205	0	1115	1397	0	0	0	0	0	383	584	437	0	0	0	0	0	3994	3514	0	397	0	0	731	9768	0	0	0	0	0	0	0	0	0	0	0	0	0	1754	1311	1192	1425	2135	302	0	1451	96964	0	0	0	0	0	0	1903	0	1119	5096	381001	79035	0	9223	1380	703	3912	2951	0	0	0	0	2204	0	0	2085	0	340	0	0	Phytochemical	0.0	1.125	0.125
18	C8 H9 N1	120.08077	120.080864	0.05394655	120.08078	0	0	0	0	0	0	0	0	0	0	1835	0	0	0	0	0	0	0	0	0	0	0	0	1122	0	0	0	13277	0	0	0	0	0	0	0	0	0	0	0	0	0	0	307	344	447	0	0	437	0	0	0	0	0	252	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1281	0	0	0	0	0	0	0	20667	0	0	0	0	0	0	1372	0	0	1765	45618	9207	0	1987	0	670	0	0	0	0	0	0	0	0	0	1506	0	0	1125	0	Phytochemical	0.0	1.125	0.125
14	C8 H9 N1	120.08077	120.0809	-0.018120201	120.08077	2195	4271	0	2561	1072	0	0	1649	0	0	2637	0	0	0	1178	0	0	0	0	0	0	0	0	0	1801	0	0	28215	0	0	0	0	0	0	0	0	0	0	1961	0	0	0	0	341	0	0	0	388	0	0	2366	1724	0	390	0	0	0	3703	0	0	0	0	0	0	0	0	0	25825	0	0	1786	0	0	1568	0	1059	289	0	0	40878	0	0	0	0	0	0	3475	0	1035	0	374408	35633	0	5692	0	686	2865	2176	0	0	0	0	1377	0	0	1294	0	0	2405	0	Phytochemical	0.0	1.125	0.125
16	C8 H9 N1	120.08077	120.08091	-0.03880065	120.08077	0	0	0	0	0	0	1532	0	0	0	1632	0	0	0	0	2012	0	0	0	0	0	0	1503	1867	0	0	0	11849	0	0	0	0	0	0	0	0	0	0	0	0	0	0	378	423	293	0	0	524	0	0	0	0	0	405	0	0	0	1579	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	307	0	0	15189	0	0	0	0	0	0	0	1072	0	0	85333	12237	0	2347	0	493	0	2009	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0	1.125	0.125
6	C8 H9 N1	120.08077	120.08094	0.17482443	120.080795	5983	5292	4948	5713	819	3184	0	1373	0	1701	3558	919	1095	519	1017	2630	810	1180	917	0	0	1656	631	1576	859	0	653	25034	1942	1548	1276	1878	2665	1710	0	2227	1804	810	1920	0	0	780	0	283	298	0	0	360	2074	1072	5760	5563	983	482	0	0	333	3574	0	0	1131	0	626	0	662	0	723	0	0	0	0	1446	1521	767	1211	0	212	914	822	112260	979	762	0	0	0	0	788	1218	2018	2616	574414	217690	1721	11844	3633	463	3942	4897	823	0	0	1155	1566	0	0	2263	489	309	882	0	Phytochemical	0.0	1.125	0.125
10	C8 H9 N1	120.08077	120.08091	0.12500729	120.08079	6096	5341	2983	4063	0	3833	915	989	0	0	4607	882	0	0	1207	3338	1978	0	0	0	0	1443	0	1764	0	0	1821	36900	1281	1519	1075	1158	1520	1276	0	979	1822	1056	3279	0	0	864	0	0	0	0	0	0	0	0	4346	5897	1255	0	0	0	635	1943	0	0	0	0	0	0	0	0	0	2300	0	0	0	0	0	1069	0	0	0	814	1374	183738	1623	0	0	0	0	876	1324	0	1711	2973	607657	101537	0	14569	2798	424	2556	3611	0	0	0	1291	2039	0	0	1910	0	0	1091	0	Phytochemical	0.0	1.125	0.125
20	C8 H9 N1	120.08077	120.08091	-0.057611134	120.08077	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	411	0	0	0	0	0	0	0	0	346	0	0	0	0	0	0	0	0	0	0	0	0	0	1405	0	0	0	0	0	0	0	0	436	0	0	11898	0	0	0	0	0	0	0	0	0	0	29126	7673	2425	1900	0	621	0	0	0	0	0	0	2040	0	0	0	0	662	0	0	Phytochemical	0.0	1.125	0.125
4	C8 H9 N1	120.08077	120.08095	0.15486194	120.080795	4118	6166	4834	4237	715	2194	706	1518	0	0	3720	727	1243	967	1112	1754	1314	959	681	0	0	1422	699	1377	1049	0	859	30250	1217	0	1327	1342	1569	1225	759	845	1601	1085	2028	0	0	1406	0	402	328	0	0	519	1480	1036	3997	4501	1215	614	451	521	673	2315	341	494	1616	0	1648	0	0	962	673	0	0	0	0	1213	1121	1387	0	1727	307	878	596	164646	727	895	326	0	0	544	966	990	1511	1284	405431	156605	2723	16114	2908	862	2955	3776	1501	506	564	1644	1993	0	0	1571	345	401	537	796	Phytochemical	0.0	1.125	0.125
0	C8 H9 N1	120.08077	120.08097	-0.06770365	120.080765	15040	15686	10586	8429	12364	17693	5152	25413	6292	3548	3435	8161	11848	29133	9548	6700	14657	18509	25834	2904	3645	30975	15547	40966	17372	705	3174	27761	29445	13087	23037	21139	30709	25678	3898	12738	14967	9228	19598	1383	0	8644	0	465	0	12293	0	363	19521	14258	13484	10568	24497	610	4826	3856	5038	54505	1335	3141	11709	0	10446	5709	7098	21240	26733	21723	414	7152	0	21503	25159	19130	2904	14577	335	9987	17286	49337	11449	1839	2227	4222	3226	7088	21187	23110	33120	52930	118492	38737	54280	2480	0	928	10411	12906	4362	2953	3176	17125	10526	5523	0	45376	3156	420	17102	15205	Phytochemical	0.0	1.125	0.125
8	C8 H9 N1	120.08077	120.080925	0.17415741	120.080795	5854	8195	4648	4749	0	5676	0	1760	0	0	4477	0	1376	3252	1421	4329	1497	855	0	0	0	1108	875	2275	709	0	1432	32686	1722	817	1632	1730	2395	1696	0	1379	1095	843	2548	0	0	4701	0	0	304	0	0	423	934	1905	4557	6147	827	355	0	873	0	3016	0	0	0	0	0	685	0	0	672	1749	0	0	0	0	1046	1192	0	1393	0	0	1058	207348	1166	623	671	0	809	0	1884	1209	1013	3128	487641	116904	1836	21777	3257	626	6888	5361	969	2059	0	0	1764	0	0	1184	0	330	1165	0	Phytochemical	0.0	1.125	0.125
4	C4 H8 O2 S1	121.03178	121.031975	0.2592839	121.03181	4656	4912	5313	4387	37571	10209	3441	6185	9255	0	0	2575	23827	45386	2562	2952	3788	10065	15937	0	0	2226	2116	1992	2452	254	3842	0	3031	5277	7438	2625	4808	1017	0	3321	1978	2454	1563	0	0	38211	0	261	0	1552	0	0	3197	3481	5234	4728	25887	250	5476	3630	36263	7814	0	0	2860	0	2186	9086	16032	27566	34747	8369	0	0	0	2017	1183	7888	2722	3103	0	2575	2496	0	1627	444	324	337	3870	6524	3780	4345	4849	4823	0	0	5211	0	0	0	4969	5198	6314	2402	3098	2833	3611	0	0	2816	15299	0	1548	8152	Organosulfur	0.5	2.0	0.0
0	C6 H4 O1 N2	121.03964	121.03984	-0.11100954	121.03963	36648	41318	39387	33262	4937	58148	4591	0	6573	1350	58962	4125	18960	17277	1427	3192	7028	35625	13035	0	6264	4240	0	0	5305	5763	5212	1075	9836	0	0	6242	4704	3614	544456	2537	20201	2021	26908	0	96573	128314	18660	2730	3216	1424	5590	5701	11824	0	32039	34139	2941	64172	12988	7806	4759	352003	653	35525	10799	1180	145399	17924	3736	4036	14114	68513	6940	23222	47456	0	1844	0	8288	3136	5402	5429	21818	811	116080	5643	1552	0	3989	21454	1375	130794	8351	15345	0	1312	6111	17450	3434	9612	29035	34591	571538	3947	37843	46259	0	14960	16340	3948	74352	7857	3048	3877	Unclassified	0.16666667	0.6666667	0.33333334
2	C6 H4 O1 N2	121.03964	121.039856	0.21808755	121.039665	0	0	0	0	0	0	0	0	0	0	0	0	401	286	0	48310	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3426	0	0	0	0	0	436	0	207	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3568	0	318	12703	0	1417	0	0	0	0	890	0	0	0	0	0	0	2532	0	0	0	329	0	1468	0	0	0	0	0	0	1013	0	1780	0	0	0	0	0	0	0	0	7385	0	1183	610	591	0	248	0	318	0	0	0	Unclassified	0.16666667	0.6666667	0.33333334
24	C8 H8 O1	121.06479	121.06493	-0.05726573	121.06478	38665	49089	38654	37067	122175	70492	33620	45891	31345	19398	25001	45939	61547	510662	45570	43056	51889	43840	64820	23843	30339	23244	33475	29646	28567	17221	41350	24037	48418	46390	36946	44152	46705	39147	24246	45975	46233	39440	53247	20481	20373	112532	27875	22110	20915	21365	17963	24928	47350	37293	40503	43077	71463	21043	28355	34491	54185	55274	31869	20387	48233	18877	28805	24682	64593	47224	222258	40693	17684	20810	19849	38415	31631	43143	44646	54901	21216	46236	34049	23795	32365	31168	28602	25104	31284	69504	35439	0	83137	62431	47236	34880	48341	14069	19955	31620	39708	47977	32262	30751	38811	50488	43665	31393	37379	37202	41672	30444	33486	25745	Phytochemical	0.125	1.0	0.0
14	C8 H8 O1	121.06479	121.064964	0.07015488	121.0648	113304	120494	99569	112311	188588	241650	96824	179631	90638	68865	39782	58132	123536	380376	81759	142831	109374	153138	192386	105385	54404	51940	70300	107064	80706	35958	95574	59520	101889	187553	128679	196501	142837	136146	56257	174609	104510	76452	111481	106293	49369	186459	43011	40900	30035	176398	116128	44439	197604	113800	108183	109373	132537	27855	91516	73573	77972	285507	38806	53040	97117	26908	87440	288416	84179	180647	167707	113437	30877	142741	44076	121452	147151	186927	140203	227195	30435	66752	63269	48826	73297	45462	77101	63885	81153	61721	92604	303293	266678	105873	251410	59066	86675	35986	107209	51325	115926	107764	86662	109386	124218	105047	76540	91147	37774	197398	67061	42091	72381	82313	Phytochemical	0.125	1.0	0.0
6	C5 H12 O3	121.08592	121.08619	0.28233287	121.08595	0	1026	0	0	0	0	0	0	0	0	2446	0	0	0	0	0	0	0	0	0	2135	0	0	0	0	0	0	2742	0	0	0	0	0	0	0	0	0	0	0	0	684	0	1128	0	0	0	1757	0	0	0	692	844	0	0	0	0	0	0	4346	668	1819	2521	0	0	0	0	0	0	0	0	0	0	0	0	0	0	288	0	0	5442	0	0	0	0	0	0	0	0	0	0	0	0	0	914	0	0	814	0	0	0	0	0	0	0	85936	0	0	0	0	0	Lipid	0.6	2.4	0.0
18	C9 H12	121.10117	121.101326	-0.070432514	121.101166	196917	218561	175930	148945	168066	162179	642288	190625	97643	80617	92978	138404	144592	576034	172964	241414	283019	166820	182294	102838	88561	124364	161490	157007	143376	184004	600013	113415	216105	198301	181287	224119	239142	195951	72260	208715	196628	162185	337689	71018	102259	163488	54376	21274	22799	94463	81530	23656	230180	162230	185553	191363	153072	30399	115533	134649	163407	267097	75136	136566	212009	53649	166669	96852	378115	195174	261654	350481	49356	66597	93040	149769	161337	239320	265851	231104	21906	120138	155496	214836	120575	124227	523272	715183	135381	152932	209886	168121	185162	319082	201083	176233	237204	64773	88921	31982	203290	169539	167563	142215	175498	221121	139878	122691	52530	141974	114119	21063	170642	108358	Lipid	0.0	1.3333334	0.0
16	C9 H12	121.10117	121.10133	-0.023867097	121.10117	163542	196767	155197	158862	160350	178972	596153	152440	97069	82448	85170	128656	125308	624650	140801	216956	300540	138244	175753	127701	98166	124386	125625	128796	147456	176800	593295	87856	184572	184861	185175	242732	228756	174475	84063	231696	194160	130828	350769	66729	97618	175182	51576	19421	20213	73085	99145	26515	237272	166617	182755	165585	152380	27183	107079	148758	159037	282641	63589	131383	186941	50674	191473	81980	315081	194105	327198	294592	61976	79001	81797	131313	201236	265519	241276	259015	29303	101687	144954	140242	122815	127362	552041	1154061	135944	133748	238164	146333	202645	317087	165674	127868	201789	63084	86643	31197	164350	175619	164088	138221	186149	212918	107028	102076	46811	154932	130152	21215	168154	125185	Lipid	0.0	1.3333334	0.0
20	C9 H12	121.10117	121.10132	-0.08027524	121.101166	183721	225241	175647	152517	164790	150521	722270	175824	113881	86847	90475	137342	138999	470799	168763	243542	279402	142515	159879	98772	95430	116661	122508	163624	136454	212688	752592	127678	209357	188134	126417	214278	218583	185388	98332	178932	195133	135008	277267	73685	100395	155015	68568	22938	23062	85099	108537	25382	204192	141213	194157	190809	138108	39861	111026	137548	155277	258648	92632	162572	188190	50634	168302	111120	305984	167905	208391	289617	72538	78473	126012	136526	186647	206748	263878	231105	34309	108442	153452	295472	119269	123879	669475	653755	125158	132653	208420	145725	161946	339574	282452	184462	231173	74759	89238	29161	183692	178609	164121	154553	174921	223923	142573	143323	73652	159248	129854	22864	159364	143036	Lipid	0.0	1.3333334	0.0
14	C9 H12	121.10117	121.10134	0.025758365	121.10118	134351	164984	132809	160207	141827	189802	378256	142055	93993	63825	72489	100943	110110	652795	106841	164605	250137	144521	135747	90485	99703	104243	96131	92023	106520	152459	427664	82089	163167	173999	139490	212154	193337	163176	86459	184743	154961	103265	293722	62011	75367	185260	57765	19056	12377	69787	82090	26215	201692	115596	157994	138579	135255	25903	91197	151561	166695	248432	53149	108443	160899	38036	166967	77626	341637	148807	315110	269629	49991	64455	77119	110153	157955	194379	218896	205864	16272	97576	106371	89693	96286	104342	419689	796821	111583	86590	192634	111397	187187	300357	157137	89873	154049	43204	81028	29891	162423	142548	199846	144064	162055	155821	117693	93107	33630	136722	99372	21459	116221	91938	Lipid	0.0	1.3333334	0.0
26	C9 H12	121.10117	121.10133	-0.06666374	121.101166	92153	104869	81367	81327	84740	59179	484389	98887	66294	35400	66984	62724	53534	180600	84301	98458	109935	58508	95233	66700	44677	67337	55751	65263	74506	90916	457787	117199	81881	89720	76382	97589	105620	66195	55534	106136	94158	89844	137622	50486	74129	99606	27380	23429	24462	48539	42581	21257	106093	78451	106173	94018	67106	24273	64951	81306	116860	126758	49906	77430	118761	38799	82546	47285	205694	67098	96438	146667	70748	66995	66645	58503	68499	95228	79648	104930	22589	60639	80590	119195	61169	79860	169653	143276	104400	151903	140391	95629	81690	179855	198691	155012	114919	53148	55981	25502	87839	105548	84643	117471	198586	102742	71383	77628	53011	70289	131857	21398	91500	53364	Lipid	0.0	1.3333334	0.0
0	C8 H11 N1	122.09643	122.096634	-0.11019553	122.09641	131652	130334	149665	102967	93330	53442	444345	62308	20242	112383	199887	27319	36692	95206	34365	19524	98613	61585	71657	64055	55103	119280	30162	22265	68628	197296	125265	1284866	76329	16449	53051	22671	79491	80817	79611	51197	23190	38588	120337	42765	187883	131236	230816	22624	27286	33498	119453	54488	37894	29544	132912	91036	94290	69192	19092	20664	27727	27880	24763	222049	90459	26272	34663	21272	113661	77036	91754	164901	34292	61994	339476	32270	31444	20029	58611	70450	39123	36290	76635	107857	68747	63491	858368	12843475	44632	60147	79358	68988	102544	98680	55911	87654	151171	22781	65565	67058	122819	132673	27480	34993	49342	18413	13653	43904	19974	148663	76496	65349	104768	25414	Lipid	0.0	1.375	0.125
4	C8 H11 N1	122.09643	122.096634	0.230368	122.09645	685	798	718	884	683	872	1104	846	397	0	0	661	648	1065	566	481	1194	1137	808	0	561	747	480	751	0	680	972	0	0	426	802	0	593	0	0	550	0	638	1103	0	1087	1254	945	632	790	0	0	718	0	535	635	0	1129	911	359	487	663	1004	561	814	746	0	859	698	0	525	736	0	0	0	0	663	498	401	0	791	744	357	663	0	773	771	1730	21799	998	822	554	810	671	1597	0	0	621	0	0	1008	962	1050	595	855	593	591	651	1120	0	548	691	747	513	571	Lipid	0.0	1.375	0.125
14	C8 H11 N1	122.09643	122.09656	0.051146507	122.096436	0	0	0	0	1277	0	0	0	0	0	0	0	0	1715	0	4865	0	0	0	0	0	0	1230	0	0	0	0	24077	0	4413	3395	0	0	4374	0	3449	0	0	0	0	0	0	0	791	854	0	0	783	0	0	0	0	990	968	0	0	0	6987	0	0	0	0	0	0	0	0	1303	1567	0	0	0	2210	2192	5350	3977	3690	950	0	0	0	1061	0	0	1576	0	0	1387	3273	3722	4356	0	0	0	0	0	857	1704	0	0	0	1176	2856	0	0	0	3370	0	984	2865	0	Lipid	0.0	1.375	0.125
6	C5 H7 O2 Na1	123.04165	123.0417	0.57419366	123.04172	0	0	0	0	0	0	2291	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2157	11346	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4703	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	661	1243	24199	0	0	0	0	0	0	0	0	0	0	0	0	0	0	454	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.4	1.4	0.0
2	C4 H10 O2 S1	123.047424	123.04759	-0.16238229	123.04741	0	724	0	555	386	0	0	23448	0	295	1019	2466	0	3516	5391	2694	7340	0	476	0	465	0	3419	0	0	0	3205	15522	1334	2196	1880	0	0	0	0	813	0	5139	7440	0	0	0	0	0	0	0	0	0	545	10078	0	1438	444	0	0	0	0	1222	0	0	1853	0	0	0	3736	0	2063	1453	0	0	0	962	0	8905	7531	906	0	1407	0	0	0	0	0	0	0	1040	0	0	610	0	0	0	0	434	0	0	1517	832	0	0	0	1302	2643	0	0	0	0	0	2282	0	Organosulfur	0.5	2.5	0.0
0	C6 H6 O1 N2	123.05529	123.055504	-0.07717839	123.05528	25126	33450	24012	32279	47482	132610	8343	12696	16059	6781	14742	7779	145977	27840	9457	9537	7886	40502	31131	4628	7121	16272	4820	16659	7280	22146	4036	8386	23906	12848	12355	28692	40325	30271	60209	11714	51677	7817	41021	32899	51940	36759	26453	3764	3629	6142	7737	10313	30893	20314	35579	28647	45450	34315	6573	10852	5137	40113	1170	57219	6515	1244	275826	0	7843	68435	21177	20320	1043	5784	18402	68440	24783	14027	20436	13477	3334	3125	6600	739	22584	3865	4092	0	3874	7732	3111	288422	27264	2866	4909	9477	14097	2250	5514	13131	33779	25541	26891	4802	5201	47121	0	5488	1354	26138	10057	10320	5051	29455	Peptide	0.16666667	1.0	0.33333334
14	C8 H10 O1	123.080444	123.08061	0.038462684	123.080444	282638	323172	260695	294372	266015	269618	1327883	253497	214905	96019	244356	204435	249487	983280	256237	288331	381210	281903	273773	137810	135131	167236	196550	163019	247578	572700	1318612	230051	318455	307750	256969	356757	377260	256721	144724	334776	286499	229488	483038	107092	160176	260083	168125	63058	48571	115549	112474	68232	323614	215586	289440	262711	249322	60947	226540	326084	304887	387672	140663	213497	236384	142398	464431	188346	1064665	309526	440493	381205	181020	129450	188444	202790	275101	322010	290882	349206	57630	198003	210995	268987	202333	229245	1169093	2457422	231606	176565	325289	199813	284383	415397	232470	172994	306779	106238	104367	86233	298231	291986	355027	266209	293405	298754	239010	161827	94735	244434	179580	64546	247420	245603	Phytochemical	0.125	1.25	0.0
16	C8 H10 O1	123.080444	123.0806	-0.013051286	123.08044	223361	262960	218471	221020	202069	207176	1095830	232625	167277	90170	128349	171806	185681	767447	219104	272783	392597	205115	251311	121273	100272	150881	186546	191081	196387	354187	915796	139642	221496	249668	247265	281451	287754	188972	101736	265792	248561	189787	487638	96058	165629	215411	154372	63268	66431	107212	113548	69788	304685	219204	248220	236997	197163	70013	159209	200742	213492	310939	106627	234005	246199	70925	293363	139171	585855	232499	362893	346150	185840	125017	168297	173860	207491	274973	295498	293807	66247	137146	223052	196572	164609	171187	1076200	1926906	191448	164494	260672	198030	237301	356285	168745	155138	223432	89676	98957	98176	229987	249875	213607	193294	251412	292319	160241	148281	60047	199207	181266	60183	228155	218430	Phytochemical	0.125	1.25	0.0
28	C8 H10 O1	123.080444	123.0806	-0.029920856	123.08044	89166	92587	75868	78383	68268	60529	476346	83793	56726	50156	78092	67902	51180	171246	71759	83651	114764	65160	70510	67536	58723	67628	71128	70243	74313	116401	347743	91666	77551	82783	81114	90100	93120	80680	54490	88089	61945	83311	136810	61782	88793	85487	84038	79933	76455	62190	59712	78754	85314	85693	88946	82950	68268	80942	56030	77754	77131	93040	71824	152307	97307	66208	91861	56295	136142	55490	87923	104510	80326	69619	77913	71424	72899	81044	82750	91986	76267	71238	63466	82481	81102	86249	183961	173888	62605	49222	80081	69521	87360	98131	91069	93569	84359	52776	48688	87748	76367	84524	84701	64800	66225	93464	88340	85854	67209	75387	59837	84086	86195	59985	Phytochemical	0.125	1.25	0.0
18	C8 H10 O1	123.080444	123.08059	-0.05097787	123.08044	207554	234367	191976	187367	143184	159782	1134543	216884	127559	81705	101183	133594	146485	553012	193324	233627	316378	166747	197777	119776	87925	137420	156442	162467	147123	326103	893401	122899	213896	204002	177913	209730	261430	156383	76586	203679	205167	171447	423574	88712	178383	184393	147171	55922	68642	93094	95861	67151	236488	166863	221780	217197	147149	61231	154523	176378	180183	273306	101438	252529	226465	71260	239158	131018	515540	181230	248682	370317	100854	97622	161013	142268	139060	218206	255955	221755	60555	121759	201683	145709	172858	172466	993169	1504603	165165	172353	218221	157285	192555	294186	190658	182287	240741	67981	98245	87984	206443	207305	209655	178913	211985	226878	160140	155192	59270	163905	132949	58501	182029	145707	Phytochemical	0.125	1.25	0.0
0	C8 H10 O1	123.080444	123.08067	0.09024382	123.08045	567269	488790	460623	427054	194383	1834471	1210540	274297	93893	883739	118589	114145	554770	37150230	155577	88323	177850	365558	970412	829725	1842311	591921	200444	88881	170123	1453303	616193	337958	303377	84152	172640	107944	920286	139793	1174846	124241	151876	144078	643733	708493	602566	682065	1754203	73309	74588	794885	172736	85068	233442	133975	445252	401809	177805	115650	79513	1608896	590455	193917	948916	469106	800581	590303	7856582	73998	3240409	383702	15850703	152389	260664	6092549	925368	133758	119758	147030	34317	274468	52445	82000	44209	102211	69250	408941	2085770	2945487	46183	38466	49158	550862	437625	71644	335969	827014	336672	134198	319936	487803	507011	447456	1959008	66249	56857	111873	105040	573813	295864	178235	48388	79704	57930	3436729	Phytochemical	0.125	1.25	0.0
12	C9 H14	123.11683	123.117	0.08872213	123.11684	42991	64018	50145	55600	28954	34632	191718	48104	20798	22135	24271	22873	19874	382284	37179	74365	86530	24423	35686	21171	17978	31579	31192	28932	50747	83161	252602	22065	60707	56345	52208	71272	53067	60682	14313	55919	46200	40207	94533	13092	23843	49401	22195	14797	12352	21507	46719	17307	70793	43405	52958	66581	33767	16587	23560	29974	40220	72131	16409	29016	76116	9992	68062	20950	192904	37872	125384	77512	0	26825	22539	42586	56059	66709	87493	75679	10762	31309	26533	43582	26438	45356	278915	689354	40075	41419	57145	31077	46701	54556	34900	23271	41127	14439	27180	16463	57328	47243	44149	32622	45524	58402	35729	21553	0	46884	40063	15616	36914	35409	Lipid	0.0	1.5555556	0.0
14	C9 H14	123.11683	123.117	0.03460584	123.11683	52823	65881	54491	55977	41131	72808	245179	55131	22666	18748	26329	40755	32653	384385	44333	75201	104235	31061	39454	23194	26711	28542	38289	42945	46506	97983	272348	41248	64505	57109	55407	82712	57181	61002	18338	67416	52886	43403	104151	13864	28165	63574	67249	22486	14807	27088	60289	24604	64001	43286	51066	44887	37869	21407	28632	55120	69716	95471	18702	44216	71865	14274	69670	26587	219221	48787	153839	105814	22331	26720	37566	41310	57100	66917	81361	67342	20053	36447	39962	46618	38896	43995	244608	889487	53182	39449	82674	38104	58439	122959	53663	33690	52889	18917	24495	25937	64611	55702	84386	55001	62896	53430	40122	30228	20217	62670	47051	24971	55213	25981	Lipid	0.0	1.5555556	0.0
18	C9 H14	123.11683	123.116974	-0.05750522	123.11682	122474	124841	106414	95340	78977	112240	712915	110195	39776	27656	59792	79222	66511	548731	83362	128324	193038	62078	83293	49378	40739	59498	77663	105236	66853	199764	715968	96647	95676	98666	87403	107360	115866	88845	25137	109943	95022	75637	206816	29549	58757	85015	71922	29024	26908	49936	58975	28885	105482	85819	106785	104443	79452	32306	48371	88537	118275	139373	39315	100441	150016	38039	195115	45603	473157	95376	204728	218304	47319	29937	58036	68936	66569	113483	159940	116615	27801	65362	86448	134480	58773	81548	465949	1114767	59304	74511	105225	83654	93891	193436	101656	79269	117545	39122	47235	37512	112388	108791	125430	63505	84295	103979	75933	67350	35663	80321	59143	28191	101405	66295	Lipid	0.0	1.5555556	0.0
10	C9 H14	123.11683	123.117	0.088448964	123.11684	50459	45560	43610	40234	37586	47707	92105	67536	18241	8844	12660	42022	24107	132106	36910	92626	104912	39107	48250	18587	15219	16307	34476	40919	49896	28532	85037	15456	115774	83524	70112	135377	87054	65237	14334	89228	82136	37913	97197	9777	13471	67675	19681	13871	12402	16154	212725	14417	95777	58893	43835	53620	38447	12463	20023	20778	24210	117021	12486	19063	97165	8943	37676	17237	78386	36064	85968	103006	10952	20719	16811	57054	93724	125335	101294	102891	12830	32518	29823	18716	21994	24471	72680	174674	30299	36370	42209	39562	67169	42830	24109	14863	33129	7928	9747	12352	41118	51496	26978	24661	34796	81759	40314	16792	0	50861	29190	13294	46089	23275	Lipid	0.0	1.5555556	0.0
16	C9 H14	123.11683	123.11698	-0.029066507	123.11682	76554	89535	74773	74052	61291	65786	539619	67156	31800	23117	49044	47438	33847	604080	56660	80952	160208	45764	54868	37469	27413	31990	47752	62436	54963	165278	589996	57934	55836	68772	62131	83725	67391	54629	21499	67942	59527	44219	168674	25127	51544	67446	69679	24794	22389	37761	47153	24419	74668	61802	87376	74119	52456	23275	33036	77170	84832	103837	22789	83144	100529	26556	137935	31140	414841	74893	175981	136558	36150	38618	48281	42340	66164	79398	98488	90452	23169	42692	46284	127245	35843	71030	418899	1358540	57184	43688	81723	65985	73409	121159	72288	54975	59680	37376	38526	38192	83447	77561	116338	58836	72027	61256	42319	48308	24781	53328	60001	22570	62074	50157	Lipid	0.0	1.5555556	0.0
0	C4 H6 O2 N1 Na1	124.036896	124.037125	-0.09209944	124.03689	3046	3849	2610	2467	0	0	1705	0	0	1629	1155	2783	0	0	2337	4035	2105	0	1346	0	0	0	0	5646	0	0	5416	0	0	0	0	1653	833	2461	0	2243	3200	1710	1113	0	1467	0	0	0	0	0	3721	0	4705	4708	3540	2898	0	0	0	0	0	2349	474	801	3880	0	0	0	0	2709	0	4954	0	0	2602	1626	0	0	28170	2726	0	0	0	0	0	0	0	0	0	0	0	2124	0	1575	0	0	5373	0	1855	0	2865	0	0	0	0	4612	0	1853	0	1637	0	0	1342	0	Peptide	0.5	1.5	0.25
2	C3 H9 O2 N1 S1	124.04268	124.042885	0.22920127	124.0427	52089	55615	43925	47734	13069	15372	128429	78002	5910	13336	61639	110276	3087	1044	0	51858	69267	12724	18318	8571	9511	32993	16316	18045	26699	0	147349	16364	49968	107875	86287	83007	106227	40699	31259	64043	66004	32569	49219	321	0	25115	0	0	0	3182	0	0	98463	99406	36040	37992	36624	0	17524	495	9148	48342	0	0	50254	0	2363	34973	14369	20774	27407	53814	827	4529	2369	78244	63168	89668	95669	84843	0	133507	4167	0	9393	0	0	287	1886	13604	3636	28621	31112	22143	0	706	76573	0	668	0	45968	52802	3445	1047	1569	50370	64958	558	214	54380	7448	0	21889	7085	Organosulfur	0.6666667	3.0	0.33333334
4	C3 H9 O2 N1 S1	124.04268	124.042885	0.19612975	124.0427	13060	6032	10838	10263	2162	7334	45254	28742	3036	8665	0	48001	1022	0	0	24574	51213	4642	7946	2826	1973	4802	9278	7671	6392	0	31466	4814	0	31003	13966	32769	17253	16422	0	31945	14888	9644	18765	0	0	5992	0	0	0	0	0	0	24908	43916	17598	14079	8937	0	7367	0	7109	15170	0	0	23540	0	369	10272	2575	11094	6587	21172	0	0	0	26927	30774	37490	65994	20777	0	35408	1302	0	1281	0	0	0	962	5476	680	9800	3518	7464	0	0	31287	0	0	0	17947	10400	780	0	665	32776	31453	0	0	18375	878	0	6902	2525	Organosulfur	0.6666667	3.0	0.33333334
14	C7 H9 O1 N1	124.07569	124.07587	0.1194628	124.07571	14305	23157	18003	19443	10800	14547	30286	23400	7939	7218	10294	20859	4710	11725	15733	28834	41008	14620	13276	7428	5421	19243	16326	25337	19393	1675	26277	0	25489	26378	23041	33839	29088	31904	12701	25914	29499	19054	43710	8168	7477	13781	3606	7354	5622	15105	8505	7857	35237	20484	22009	23307	15171	4837	8582	5541	16538	40835	10441	10209	0	3613	4782	8249	9836	13424	12864	44970	0	4356	4746	25222	25263	19522	26277	26256	5548	17702	23312	0	23791	13055	16569	6440	7841	10662	31939	26609	26370	74947	17234	13097	50396	5699	8344	6989	23532	21537	10628	7111	5659	24774	22384	15262	0	33634	9703	7392	31497	10522	Peptide	0.14285715	1.2857143	0.14285715
0	C6 H9 N3	124.08692	124.08711	-0.16416913	124.08691	5665	6663	6131	3624	3527	0	12770	3387	4188	1623	0	2143	6533	0	3526	16164	6162	11382	8996	0	0	8175	1763	9034	12211	0	7558	3490	4611	2029	3455	2437	3442	1806	0	4759	4969	4016	6421	0	0	6614	0	0	0	3465	0	0	6398	2424	4894	4328	8345	0	5089	4837	3235	11057	0	853	11877	0	0	5583	4748	6139	0	6360	0	2186	0	1774	0	0	7068	2837	0	1054	14181	1255	8110	0	0	0	21151	10671	14474	7267	5625	12838	0	0	15800	0	0	0	4141	5103	3518	2558	4047	3983	0	0	0	7078	7367	0	12517	6084	Unclassified	0.0	1.5	0.5
24	C8 H12 O1	125.09609	125.096245	0.011106935	125.09609	95446	105655	77656	89880	71197	63485	607357	92854	52947	40519	50391	75544	45869	203265	81101	113613	166643	61754	78333	44649	44533	49417	71842	70204	67418	82491	497459	71827	86055	101242	72313	101405	102580	78006	43945	101207	98854	77490	180003	41788	54551	68373	56952	33154	43482	46849	57976	37904	119401	94253	93931	88823	60876	41041	58397	58315	76725	125713	51835	100250	120383	33441	90165	51973	152750	73315	93670	153613	38357	53493	61526	65782	68706	83259	116874	115429	41671	68447	91476	83202	76116	66534	232468	210197	73417	70978	111324	69962	91920	195489	137144	101148	114549	36437	47878	42654	90515	94636	81930	53440	76628	119707	70943	77294	46479	86824	63261	46085	99684	70973	Lipid	0.125	1.5	0.0
26	C8 H12 O1	125.09609	125.09626	0.02846947	125.09609	60981	72772	64068	56966	42089	42929	379037	65844	37747	28123	42897	57363	32594	119097	70752	79779	87866	38319	54355	42267	33178	44896	52419	50010	58119	59129	339619	68319	75348	91009	70464	83680	84432	54951	37836	87510	75304	71657	117724	38712	42166	67074	44750	44819	40273	33075	32669	44592	93866	70880	69745	67529	46575	31048	42095	51512	67348	104827	46898	62446	84308	32132	57642	37669	137435	38644	65060	110454	42319	41692	39410	56632	58803	71040	81841	91880	31944	58013	57457	60069	52734	48495	113017	93706	46721	57539	102868	58249	60828	137324	88937	63035	81634	29883	34266	42696	63790	70443	54912	52834	69118	79634	67032	55355	40559	57859	47529	47179	76322	41574	Lipid	0.125	1.5	0.0
14	C7 H11 O1 N1	126.09134	126.091515	0.18016255	126.09136	3891	6552	5584	6214	2682	3220	6190	6154	2007	2597	0	5012	3677	4123	4201	8522	8772	3297	2515	1655	3213	10448	4959	6138	6465	1243	5351	0	3537	4954	4867	0	7442	8288	4012	4554	9151	4017	8051	3857	5609	4495	0	3751	2902	2226	0	4608	7791	2447	3822	5186	3859	3262	1511	3267	3756	10902	0	0	0	1375	0	1507	2644	3352	4289	8482	0	1591	0	4432	4725	5299	5302	9304	2657	5042	5822	0	3844	5923	8077	3354	2131	0	26658	7660	6583	30602	10363	8211	14834	0	4674	3896	5407	4413	2409	3697	1791	5513	5878	4403	0	10416	2570	3734	7297	0	Peptide	0.14285715	1.5714285	0.14285715
0	C8 H15 N1	126.12772	126.127945	0.003007862	126.12772	17175	14371	14029	13525	12188	0	14026	55546	7110	7359	4650	5161	10596	14491	2804	96343	8082	6956	9954	4765	6105	7823	2717	14346	6878	0	6774	6233	63005	57613	44880	46190	6657	34413	7036	50767	4347	3398	8916	0	0	9614	3425	0	0	4269	0	0	69308	53971	15207	14335	20026	0	5090	3805	20339	33227	358	758	46253	0	3008	4980	36866	16124	45956	9102	0	3676	0	39740	112597	99394	46783	55629	0	6482	8666	5081	6199	1839	0	0	8883	9073	14448	4861	8234	16006	20751	16810	11266	2182	3466	0	11366	14456	4186	3822	4670	3496	6497	1818	1345	16879	14591	0	10328	5381	Lipid	0.0	1.875	0.125
12	C5 H6 O2 N2	127.0502	127.05038	0.17924187	127.050224	31448	35237	25540	32123	27935	15542	8013	2954	192075	6364	4510	2800	4820	4754	2711	1892	4052	55106	52185	5539	2163	5560	2035	0	2601	0	9775	0	2493	4856	4770	5891	20158	8021	4937	3470	53242	2301	5949	3851	0	22079	3144	4553	4037	0	0	5356	8209	2200	15397	30659	18771	4078	28305	4677	10293	0	0	0	0	2316	182161	24723	4964	7864	10451	6270	0	1257	0	3141	3818	1765	5728	7399	2918	1970	1705	0	2085	2140	3981	1633	44994	9588	2363	22730	9360	0	0	0	2786	0	0	4625	27015	22394	26979	3502	2245	32746	2120	6676	0	1538	18347	5438	1862	267180	Peptide	0.4	1.2	0.4
26	C8 H14 O1	127.11174	127.111916	0.08383063	127.111755	15105	16596	16594	15024	9046	12258	132534	15018	8086	6189	13086	14707	9521	47840	13337	21425	22235	9724	12629	9107	7851	8799	8626	9514	13046	20624	135262	19761	16400	18602	13347	18283	15747	13159	6541	17960	17031	17176	27598	9690	10127	15212	12688	12433	11959	7406	8872	14008	19679	17145	16629	18540	11311	10753	9961	13622	14592	17727	10987	16378	25099	10945	18475	8233	61537	13275	25040	29179	13863	14080	12153	11873	12575	16252	21514	20357	14489	13376	14112	13849	10808	16692	29220	34670	8407	12215	23537	14892	15108	33690	21317	14987	15319	8810	9473	13378	15290	17954	17216	9452	12620	15309	12480	19633	11787	13728	10501	14652	19029	10080	Lipid	0.125	1.75	0.0
22	C8 H14 O1	127.11174	127.1119	0.050415922	127.11175	16537	15988	16035	18185	14862	18592	180263	14503	10184	7838	8752	12623	7169	56208	12914	15289	32450	8422	12307	4902	4429	10925	11249	8771	16438	19627	164991	12764	19267	14775	10395	18661	13239	13849	6292	16545	11209	12996	39129	4280	13744	19565	23867	15025	14440	8606	15591	15725	17434	17584	15357	17047	8371	15352	7463	18009	23021	18885	5819	22513	21894	10660	21692	6109	50374	18425	30458	38865	9421	7604	10103	8700	10402	15475	23335	15066	15621	11576	15958	14409	11756	11871	77272	92283	16405	16731	20411	14788	16181	55710	19085	14953	21306	6152	6111	13225	14163	17744	21947	15358	14510	19920	10376	10382	9923	13116	12630	13122	16753	12779	Lipid	0.125	1.75	0.0
24	C8 H14 O1	127.11174	127.1119	0.066942684	127.11175	17636	19954	20205	23838	16544	12831	231783	14210	6987	8389	13678	14879	11094	81325	14941	26314	35129	9949	14463	8073	9540	12167	13326	10433	14376	29245	217349	22931	16203	20603	11682	31272	18694	16783	9655	23430	14762	15373	34889	9495	15170	17141	21674	11432	13918	11043	18297	11729	20257	19014	22367	20648	13185	14848	9254	15053	15884	25267	10705	20745	27751	11104	27637	10836	61823	17731	26449	37390	12977	8929	16056	10471	15200	16941	38795	22214	14457	14459	14977	21317	13308	16779	64266	81685	11483	13393	24374	13922	20482	61825	21583	19482	25514	13191	13900	13216	20924	20551	18988	12444	12713	24484	13047	18700	12750	16332	8713	14195	18509	14667	Lipid	0.125	1.75	0.0
16	C8 H14 O1	127.11174	127.111916	0.11969158	127.111755	13335	10124	12473	12580	7804	8985	84671	9702	3424	2349	4720	6488	4795	299430	10638	13067	18963	5419	4637	1887	3718	4100	7595	6931	8131	14874	59487	9274	6941	11688	7427	10871	7822	8800	4016	12742	8961	9558	21080	1655	0	11642	23951	11722	12606	3626	7562	11425	13136	10223	14115	14384	8187	15532	4728	9741	14036	15747	3532	8680	11498	3023	17751	5502	200039	7465	38912	24711	5216	4807	5211	7128	9119	15318	17626	10568	17407	6750	7690	14377	5997	8769	63529	202714	6413	9549	14119	10669	8025	0	9570	6283	0	3888	3034	13714	9932	13146	14371	7162	12327	11525	8458	8377	0	0	6390	11377	13371	8100	Lipid	0.125	1.75	0.0
0	C7 H14 N2	127.12298	127.12315	-0.10199489	127.12296	0	2211	2018	0	3015	0	3469	2032	968	1137	0	0	0	0	2036	0	4596	4573	3712	0	1462	5557	1790	0	0	0	0	0	4199	0	0	0	4010	2260	1904	0	0	1761	6122	0	0	2657	0	0	0	0	0	475	2214	0	2207	2617	3292	522	1212	402	2525	3280	443	922	0	0	0	1755	3904	1462	5944	5765	0	0	0	0	0	0	0	0	0	0	8285	0	2690	0	0	0	1413	3220	7511	3828	2358	20059	0	2377	33817	0	0	0	0	2321	1266	346	0	0	0	0	0	7916	2189	0	5453	1419	Unclassified	0.0	2.0	0.2857143
2	C7 H14 N2	127.12298	127.12317	0.14324133	127.12299	1883	2102	1645	2881	760	0	0	2642	669	777	0	600	1048	742	1256	9860	1174	1448	1922	728	0	7528	1748	6372	8609	0	3143	0	1269	1241	1368	1472	2840	1434	1067	1532	2339	1214	2877	281	0	0	0	0	0	1152	0	0	4006	2072	1567	1962	753	0	627	0	428	10569	0	0	10205	0	1440	0	0	2519	1850	3930	0	401	0	903	645	532	3796	1473	0	873	2400	0	3332	0	0	0	274	332	2636	2123	2429	26420	0	607	15269	0	711	0	2086	1845	0	0	0	4115	0	1823	0	6056	0	0	3843	1779	Unclassified	0.0	2.0	0.2857143
0	C5 H9 O1 N3	128.08183	128.08205	0.06618092	128.08185	0	0	0	0	3718	0	0	1970	7306	0	0	0	13943	0	1258	0	3081	5561	3158	0	2326	2428	3404	0	4988	0	0	1236	6233	0	2418	0	5932	0	1800	0	0	3754	9173	0	0	0	0	327	0	2007	0	365	0	0	0	0	1965	322	5454	21478	1968	2512	673	498	0	0	0	0	3378	6873	7405	3192	396	1970	0	0	0	0	0	0	0	0	4328	1080	3259	855	0	0	12261	0	6586	1716	0	6470	0	0	2220	0	0	384	0	0	11575	21857	11954	0	0	0	0	2092	13021	284	3004	7687	Peptide	0.2	1.8	0.6
8	C7 H13 O1 N1	128.107	128.10718	0.14579605	128.10701	262459	233365	0	244190	26579	193090	13640	1195095	8188	372708	7500	9405	41036	695356	16443	389670	24615	0	273936	863612	12847	6819	6373	191315	15071	14766	17589	14109	12619	863035	149133	555588	191429	214521	45901	891055	16735	8741	18568	496997	148139	64309	17096	14707	14899	2328532	79027	17030	611678	550544	259603	201143	13151	63938	7675	13460	9906	942271	6445	113383	139595	4153	45584	8259	29459	184228	37130	153094	4172	1115478	9363	236525	411745	1154793	773546	785214	14739	6842	9419	16467	9838	10038	14015	12852	15781	18360	9155	24782	450402	64254	722353	11449	141885	6163	499485	15065	204788	252601	14883	9283	11646	14525	8895	204745	0	56431	22108	19930	21428	99139	Peptide	0.14285715	1.8571428	0.14285715
0	C6 H13 N3	128.11823	128.11842	-0.07114441	128.11821	11790	14333	12974	13199	0	0	5349	72453	0	0	1181	8880	0	0	15982	135739	9668	1786	2945	0	1380	13146	24248	32112	31764	0	3268	697	2389	3687	50438	2108	2390	0	1399	0	1734	14058	8928	1453	0	2214	0	0	0	5476	0	0	17732	39971	12479	13818	1366	0	898	0	2344	124228	0	0	191264	0	0	0	9026	1130	3571	14437	0	12913	0	28629	0	0	2623	0	0	5087	22558	598	8015	0	0	0	889	12784	54419	10026	21036	33186	5076	3014	38546	0	0	0	10313	12609	648	0	0	2080	8068	0	0	75768	638	0	52705	0	Unclassified	0.0	2.1666667	0.5
0	C8 H17 N1	128.14337	128.1436	0.032692015	128.14339	1932	1754	2404	0	9963	0	0	0	2308	1926	1953	0	9026	31199	0	0	1728	4367	6119	1780	2723	1533	0	0	1357	1252	0	1823	993	0	0	0	1542	0	3990	0	1348	752	2148	0	0	1223	4453	385	587	0	0	597	1191	0	1815	1550	7082	1016	2617	4929	1859	0	427	698	0	0	2615	2017	0	8585	7920	3401	470	0	0	0	0	0	0	0	1182	0	2642	2464	1003	826	0	0	2936	4063	3292	0	2633	6072	0	1236	3290	1071	0	771	0	2805	2926	1835	5934	0	0	0	0	2097	10110	496	1995	2522	Lipid	0.0	2.125	0.125
6	C8 H17 N1	128.14337	128.14354	0.16204791	128.1434	10253	9353	8914	7966	448	0	5281	5218	531	15226	35726	3053	0	636	1203	12431	11982	0	0	1697	3408	0	8024	30476	3118	0	6568	240728	4884	3398	5379	24596	135872	38328	0	14703	99074	1492	13828	0	0	0	0	502	429	2899	0	491	5654	1800	9661	10492	0	601	0	0	331	15466	0	0	9518	0	0	0	420	0	0	22744	0	0	0	2480	7904	3139	8830	4146	479	3926	1948	3130	10667	494	359	0	0	0	1518	0	648	4800	4130	0	26275	857	0	480	8471	8461	0	0	0	180227	3651	0	0	34304	0	469	3131	0	Lipid	0.0	2.125	0.125
12	C5 H4 O4	129.01823	129.01839	0.1725989	129.01826	0	1519	1545	0	2509	1307	0	0	2224	0	0	1452	2203	2223	914	1681	0	4241	1884	0	0	4326	1201	0	0	0	1880	0	1289	1430	2209	0	3580	1831	2638	0	0	0	0	0	0	1863	1441	1918	2934	0	0	3889	1209	0	1428	0	2203	2816	2388	1357	1717	0	0	0	0	0	2215	1107	1514	2811	1208	0	0	0	0	2011	38516	18386	1315	2419	1739	1277	1480	0	1860	1433	771	0	3240	0	0	2509	1897	0	0	0	0	0	0	3174	0	0	2127	1617	2413	2293	3076	0	0	0	0	5135	1313	1687	Phytochemical	0.8	0.8	0.0
26	C5 H4 O4	129.01823	129.0184	0.026733683	129.01823	43579	46998	43175	40765	33590	25508	24201	25829	34961	28132	35449	35558	15900	24828	32710	28268	19532	50316	19146	26657	16053	34414	29405	25601	30471	37290	32456	22453	22104	32412	39240	40838	28422	29938	49798	28839	28810	30484	38969	25578	46743	24964	49255	61320	56417	23588	45655	75008	30063	31242	41260	29967	64252	62590	21616	25905	40128	28285	28075	40652	24158	28999	26839	36127	31188	40910	17546	45381	40768	34041	44155	33480	450245	596818	44172	35635	51637	42572	17929	35534	32371	46103	34104	33941	27034	30610	21575	210612	36114	23494	31677	22736	23323	26474	33646	63796	44519	37814	43589	30792	29746	31080	39901	28506	31040	22593	19326	56657	32885	30842	Phytochemical	0.8	0.8	0.0
22	C5 H4 O4	129.01823	129.01839	0.088350706	129.01825	3065	2819	1804	2162	2294	1746	0	1343	2194	0	2517	1838	0	0	1909	1779	0	13839	0	0	0	0	1468	1816	0	0	2568	3891	1550	1306	2361	0	3312	1230	4303	1814	2496	1460	0	0	0	1482	6208	13552	12675	0	1351	13029	0	0	1687	3042	6462	10617	0	2425	1899	0	1503	1653	1829	0	2720	0	0	4058	1438	2639	0	0	0	1362	123595	94850	0	3075	11765	1358	1394	1630	2485	4180	1260	1273	0	1439	0	27778	1045	1616	0	0	1599	0	0	13868	1611	1818	3091	1620	1954	1845	2568	0	4547	1338	1244	15370	2771	2308	Phytochemical	0.8	0.8	0.0
16	C5 H4 O4	129.01823	129.01837	0.1407028	129.01825	0	1586	0	0	1519	0	0	0	0	0	0	947	1819	1234	0	0	3035	8422	0	0	0	0	0	0	0	0	1027	0	1548	0	0	0	1941	0	4766	0	2174	0	2750	0	2350	0	1831	2473	4098	0	0	4129	0	0	0	2388	2647	4858	0	1194	1249	1783	0	1524	0	0	3795	0	0	2207	2021	2435	0	0	0	2304	58182	45385	0	0	3325	0	0	0	0	1420	0	0	1892	1297	0	2364	1609	0	0	0	0	0	0	4165	0	0	2176	1958	1798	0	1241	0	0	0	0	5273	0	0	Phytochemical	0.8	0.8	0.0
0	C5 H8 O2 N2	129.06586	129.06609	0.10036021	129.06587	2878	3567	2856	2572	7955	0	2027	5022	9655	0	1370	2371	16417	13656	3744	0	2968	8668	9259	0	3488	6203	3478	3069	5730	1855	1992	3961	11097	0	6592	4069	18611	4877	3705	4451	3465	3327	4751	1712	1351	2824	2956	2101	2215	2312	1576	2516	3987	2641	2393	2787	6404	2368	13514	10438	2715	5222	1902	1991	2110	1216	27632	2932	3257	7394	12133	3057	1592	2128	1614	3432	4779	0	0	4349	2203	2608	5054	6923	3754	3001	1896	0	8450	3357	5620	4157	5503	5891	0	2383	5834	1713	1947	2839	3063	3399	5328	7052	3954	2991	4571	2895	1736	5169	7209	2496	3972	28622	Peptide	0.4	1.6	0.4
20	C10 H8	129.06987	129.07004	0.08845491	129.06989	3686	5435	2577	3556	6443	6057	7188	6567	2340	0	1623	4309	2803	27830	7247	5579	7187	4465	4172	0	2774	2611	3177	5095	3822	2137	4462	4088	7180	9021	5134	7485	5066	5900	3974	5797	9357	4433	4005	2481	2183	7345	3424	1806	1686	3027	1912	2186	5502	4303	4096	4451	6459	3274	2313	2717	5365	7797	3074	2666	5918	4749	2209	1541	2348	5927	7579	7746	0	0	0	4179	4414	7865	5529	7324	1644	4498	4645	4101	3607	1853	3886	7255	2486	3713	5247	3111	3894	9472	6269	2747	9440	2813	0	2422	4929	2621	5961	2452	4426	0	4313	3401	2455	6251	3381	2087	4599	3104	Phytochemical	0.0	0.8	0.0
18	C7 H12 O2	129.091	129.09117	0.060977202	129.09102	21554	28034	25802	24451	22890	20079	89219	27049	19925	6676	10452	17536	25818	51320	31817	27888	21253	20593	29320	8029	5814	14378	23258	21402	28873	10598	59393	424625	38870	27844	23916	26086	35747	23703	9365	26377	30676	35454	26481	7225	6789	26613	37323	23972	22786	9966	7342	25940	31746	18294	20574	26866	21709	17893	25063	20580	29557	31115	13131	12346	26896	8389	19546	15620	60497	24786	36748	24742	10409	7635	5416	20848	16824	28417	20478	24318	20511	18390	20418	47352	23060	15748	52366	47443	21711	40575	41353	18997	30184	23132	20438	16209	27070	12314	6948	25047	24526	24411	21302	20986	26159	32185	22827	15250	7723	17302	18705	25884	31859	21292	Lipid	0.2857143	1.7142857	0.0
22	C7 H12 O2	129.091	129.09117	0.05603481	129.09102	35801	41509	33855	38170	37007	31092	124422	21954	30807	12382	14370	22059	19081	73358	35121	28771	22637	27408	29218	18823	10917	15745	30583	17576	39037	12708	99984	695561	40869	25489	26067	37430	37896	29520	14323	30220	30729	34683	20679	8945	9023	29258	30146	26004	19613	11596	13273	25016	35473	20271	35952	28828	31202	19293	31701	30036	44304	39553	18013	16501	31987	11925	32859	26529	75430	32602	59392	26549	8241	13045	7905	23154	20800	24002	21376	28148	20331	23746	28313	163792	27734	19533	71321	46252	27548	44444	35347	30118	34234	20831	76785	58579	22211	26898	14859	24404	28820	32155	47415	28511	23565	40547	25302	24088	21095	33162	31477	24517	29469	27586	Lipid	0.2857143	1.7142857	0.0
24	C7 H12 O2	129.091	129.09117	0.06897805	129.09102	25395	34537	29740	30440	39817	27188	120846	24679	46733	13614	20003	19636	27318	84262	35093	27172	23316	27103	39185	15515	10782	15723	23119	20484	27096	14585	104724	150737	28115	26158	25315	34083	33735	29182	16469	33403	34602	27807	25849	12580	11639	27461	26087	21118	21331	15696	9716	21659	39935	16791	31874	29250	32698	16724	39613	30972	35879	32081	30257	15564	31242	15990	38637	24268	61505	43389	61731	18693	6486	9927	11759	21705	24428	27549	21656	29873	19134	27848	24656	100970	22827	18144	55663	40634	28130	32267	30926	22454	35785	23334	74656	55803	29983	23674	17192	24246	25504	30964	89721	30406	29286	35615	23622	22279	22392	25675	32295	24643	33936	30285	Lipid	0.2857143	1.7142857	0.0
0	C6 H12 O1 N2	129.10223	129.10246	0.07368198	129.10225	1934	2597	2412	2468	7282	17658	0	4918	5628	0	0	0	17926	17078	2302	0	3721	10735	7826	0	3694	8509	3063	2806	3803	688	0	25724	19310	1707	8605	4221	39668	6652	22666	3794	5512	2047	7918	1100	0	3680	6104	675	606	1959	0	468	3895	0	1944	2349	5837	3319	8886	3430	0	6209	1221	764	2909	0	31358	2553	4841	12432	14935	6378	484	2116	0	4628	6288	4078	0	4469	504	1841	3714	75766	2301	895	0	0	3362	2124	5031	5067	5086	11847	71786	18863	7244	5985	0	1548	0	2242	3142	2306	2057	3158	0	0	0	9469	5173	577	2649	28356	Peptide	0.16666667	2.0	0.33333334
2	C6 H12 O1 N2	129.10223	129.10245	0.18564449	129.10226	2558	1996	1879	2071	1093	0	2828	1246	1396	648	1757	1966	744	492	2713	2620	10377	716	1143	0	379	748	1344	918	1370	0	2699	11832	1295	1577	1562	1875	1944	1873	864	1990	1544	1810	8731	0	0	0	332	277	353	304	251	321	1568	1988	2142	2040	933	0	914	699	1738	1728	261	417	1560	0	557	1055	0	1312	643	8303	0	0	0	0	1461	2376	8261	1439	0	1591	1194	49550	1587	0	356	0	1008	1931	1062	3377	0	2241	31005	11030	1581	6613	0	0	2011	1940	1932	462	964	2400	2998	267	683	1488	1663	0	1295	803	Peptide	0.16666667	2.0	0.33333334
8	C6 H12 O1 N2	129.10223	129.10242	0.2579263	129.10228	1649	1589	1264	1125	0	714	999	1023	733	0	1966	721	0	0	1318	3025	1497	0	0	0	0	0	1464	1202	1651	0	1633	17764	1096	807	1050	1361	1040	1028	0	1369	1573	1103	2201	0	0	1135	0	362	623	0	0	381	1932	0	1144	0	556	637	0	630	0	2174	0	0	0	0	0	0	0	852	0	1047	0	0	0	766	1151	1408	962	967	555	938	975	12061	1030	811	0	0	0	0	1272	708	0	2362	29716	8195	1643	4199	0	423	1555	1033	0	818	0	0	1550	0	0	1668	2223	378	1538	0	Peptide	0.16666667	2.0	0.33333334
4	C6 H12 O1 N2	129.10223	129.10245	0.21642208	129.10226	1577	2915	1894	2327	2419	5706	1086	997	1485	0	0	1041	1839	4849	836	1716	3587	2307	1719	815	0	822	737	670	1312	0	1744	5448	1227	1667	1644	1064	1448	1387	0	1406	1808	894	4125	0	0	3810	0	0	641	0	929	437	1608	991	2153	0	1938	581	1193	963	1003	1552	0	0	1314	0	2034	1368	0	1692	3147	3615	0	0	0	1161	1205	1090	2732	1053	394	589	899	55270	1008	454	574	320	1221	1119	1810	3387	2958	4175	36764	7648	2740	3552	0	693	1667	1548	1413	2018	1173	1451	924	0	0	1689	1578	409	1428	2025	Peptide	0.16666667	2.0	0.33333334
4	C5 H7 O1 N1 S1	130.0321	130.03232	0.16672611	130.03214	9231	10650	10057	10700	1071	3466	16596	19781	351	3066	1467	2432	998	2595	2956	24088	14924	12488	1939	2528	1152	1562	1684	2226	2830	0	15797	3497	29504	30000	37391	31528	16360	30524	4383	31970	18148	4809	17385	0	0	12319	0	0	0	0	0	0	39837	17967	9313	0	15670	0	0	0	2861	27407	0	0	28516	0	940	467	4106	9022	10597	20696	0	0	0	22633	21780	31403	28002	30686	0	1818	3862	0	1421	505	0	0	668	7472	6508	24190	14049	8232	0	0	3353	0	0	0	9920	9480	626	0	383	14891	2125	0	0	9343	409	0	9394	1344	Peptide	0.2	1.4	0.2
18	C9 H7 N1	130.06512	130.06523	0.31046203	130.06517	0	0	0	0	0	0	0	0	0	0	4058	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	66357	0	0	0	0	0	0	0	0	0	1818	0	0	0	0	279	387	303	0	0	372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16038	1499	0	0	0	0	0	0	0	0	0	12645	33192	0	1400	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0	0.7777778	0.11111111
0	C6 H11 O2 N1	130.08626	130.0865	0.13683358	130.08627	33295	34561	29995	28281	89309	220199	8138	73446	58536	13103	7084	12225	315891	225443	18676	11124	14087	136945	82423	14704	40822	68085	30748	35777	74067	5452	5140	14558	238337	16491	82746	52307	309657	72376	555802	40009	71047	16658	27245	21185	6534	39968	15388	15333	10765	23567	5229	17543	59144	18088	29877	28495	71775	50216	72298	34790	9343	79757	18207	13270	22946	4079	211827	23894	12353	129168	189917	15754	5868	49662	6343	58772	67344	36810	3082	47428	7070	24151	19822	19119	24551	8873	8700	4252	25160	10087	25383	44256	59903	30959	112163	97326	60785	8138	6047	22186	30272	29767	21660	27258	19401	42096	17442	13875	5862	90129	32054	19232	14650	306145	Peptide	0.33333334	1.8333334	0.16666667
0	C5 H11 O1 N3	130.09749	130.0977	0.00677451	130.09749	3006	0	2231	2225	6963	0	0	7091	12631	0	0	2016	15727	5477	2829	7422	7300	8233	6659	0	2586	7533	10301	5371	14542	0	0	1229	22923	1779	9340	4217	27398	6404	2590	4084	3687	6182	20423	1157	0	2230	0	0	0	3437	0	0	4824	2555	2228	2528	4475	643	14446	11415	2285	10157	755	752	2014	0	17172	2080	5228	13411	13740	5908	342	3247	0	4848	6647	2799	0	5227	0	2217	7823	2174	7141	641	0	0	10372	2008	14155	5104	4457	13318	2012	2624	10212	0	0	0	0	0	7496	10571	9529	2107	0	0	0	14057	8153	366	6964	15473	Peptide	0.2	2.2	0.6
20	C7 H15 O1 N1	130.12263	130.1228	0.140903	130.12267	27772	31400	24620	23393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1326	1289	0	0	1128	0	0	28660	27449	0	789	0	93393	178449	0	0	0	0	0	0	0	2373892	0	0	0	0	0	0	0	0	0	0	0	1226	0	0	0	0	0	0	0	615514	1554646	0	0	0	0	0	0	0	0	0	1252	22879	28006	81578	191425	973549	0	0	0	0	0	1233972	1409	0	0	Peptide	0.14285715	2.142857	0.14285715
0	C6 H15 N3	130.13388	130.13412	0.09596165	130.13388	0	0	0	0	0	0	0	1503	0	0	0	0	0	0	0	15137	0	0	0	0	0	11814	2747	9363	2571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1295	0	0	0	0	0	1476	0	0	0	0	0	11348	0	0	14945	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7266	0	1400	0	0	0	0	0	3495	0	0	26705	0	0	21036	0	0	0	0	0	0	0	0	0	0	0	0	10207	0	0	4047	0	Unclassified	0.0	2.5	0.5
2	C5 H10 O2 N2	131.0815	131.08171	0.25009537	131.08154	0	690	679	573	654	0	0	574	548	0	0	389	3682	31416	389	369	444	952	501	0	0	509	380	0	373	0	0	2715	548	469	591	676	1063	0	698	614	755	543	1187	293	0	0	309	0	0	0	0	0	893	715	723	780	747	336	856	1069	851	0	0	0	666	0	762	458	0	965	1233	782	0	0	0	747	503	0	359	0	0	357	0	11420	279	0	0	0	404	605	543	1448	862	0	3243	1672	1420	953	0	0	0	1064	1003	454	684	620	447	589	0	746	732	0	501	621	Peptide	0.4	2.0	0.4
12	C7 H14 O2	131.10666	131.10687	0.31440824	131.1067	0	0	0	0	0	0	0	0	0	0	0	0	0	1476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30441	1965	1678	1493	0	8634	1455	0	0	0	0	0	1557	0	0	1588	0	0	0	0	0	0	13118	0	5729	5340	0	0	0	0	0	0	0	0	1376	1255	0	0	0	0	0	0	0	962	1169	0	1231	1383	0	0	0	0	0	0	1505	0	0	0	0	1515	0	0	0	0	8658	853	1644	0	0	Lipid	0.2857143	2.0	0.0
8	C7 H14 O2	131.10666	131.10687	0.30547148	131.10669	0	0	904	1190	0	878	817	991	0	0	0	0	0	3123	0	0	0	0	0	0	0	22199	0	0	0	1195	984	0	0	0	0	0	1114	0	0	869	0	0	0	0	0	1722	1969	1152	1495	1991	1766	1182	964	0	0	0	952	1479	958	1115	933	0	0	0	0	0	872	1375	2843	2969	1917	1148	0	0	0	0	0	0	0	844	1169	0	0	3219	0	624	0	4189	8414	13422	0	0	1404	0	0	0	0	0	0	1120	0	1118	0	1173	0	0	0	8476	0	1686	3303	1205	0	0	Lipid	0.2857143	2.0	0.0
0	C6 H14 O1 N2	131.11789	131.1181	0.10472039	131.1179	0	0	2469	1632	12993	10787	0	7399	15467	0	0	2232	30762	21940	1851	0	6932	16104	10330	0	5937	8310	12075	2793	35665	0	0	1408	39128	0	15520	2884	53633	5966	5041	2299	3989	7863	27258	0	0	2116	0	0	0	2635	0	0	3915	0	1638	1585	14908	531	17525	8832	0	6865	2421	693	1699	0	0	2920	8518	26784	34637	4829	0	3462	0	3059	3669	0	0	3209	0	2525	14119	2990	11197	1409	0	0	9572	0	24216	3443	0	0	3268	3769	8666	0	0	0	0	0	7579	7157	5084	0	3080	0	0	10439	10882	0	8062	40227	Peptide	0.16666667	2.3333333	0.33333334
0	C4 H9 O2 N3	132.07675	132.07701	0.17955108	132.07678	0	0	0	0	6298	0	0	2259	7802	0	0	0	26297	8757	0	0	861	4109	3788	0	1411	3423	2403	0	3544	0	0	0	6429	0	2115	0	14994	0	10608	0	1294	1007	2049	0	0	0	0	0	0	0	0	0	0	0	0	0	2555	4648	10162	7202	0	2500	849	0	0	0	25844	1134	0	8053	5280	1208	354	0	0	1416	0	0	0	0	981	1026	1573	0	3542	0	0	0	2842	0	1136	2138	2241	2881	0	1434	3264	0	0	0	0	0	2350	2850	11151	0	0	0	0	4704	4346	2762	0	29541	Unclassified	0.5	2.25	0.75
0	C6 H13 O2 N1	132.1019	132.10214	0.039616268	132.10191	167904	159873	165160	145683	238042	422242	28373	219195	139454	50056	137058	57426	423937	288522	81445	35827	53107	356007	198216	50524	172208	227581	120134	153647	155443	16431	6068	226471	307293	61258	297679	168785	444441	241454	1469887	159898	249453	106410	124161	89169	120981	350490	88683	13407	9247	104136	48979	23425	250500	107529	186815	167502	241276	186422	128159	85557	46305	388460	49883	79287	70825	10879	572123	93787	90599	255108	276942	130903	13373	108266	58022	174966	177975	115418	7579	171301	7672	101917	111503	344988	145408	23441	44108	9126	62101	72591	141950	393321	232986	92814	540361	485805	236023	109412	11285	49456	153868	195499	467173	54978	98366	245935	0	71213	52856	291702	130276	18980	87801	337620	Peptide	0.33333334	2.1666667	0.16666667
12	C6 H13 O2 N1	132.1019	132.102	0.3174615	132.10194	0	0	0	1739	0	1949	0	0	0	0	2885	0	0	1139	0	1552	0	0	0	0	0	0	0	0	0	0	0	23500	0	0	1744	0	0	1722	0	0	0	1071	1734	0	0	0	1232	1533	1752	0	0	2164	0	0	0	0	0	1436	0	0	765	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1440	1386	0	0	1136	1365	1057	0	0	0	870	0	0	1074	0	1619	0	0	0	30997	14775	0	0	0	1704	1420	0	1536	1491	1441	0	940	0	0	0	0	1638	1430	0	Peptide	0.33333334	2.1666667	0.16666667
18	C6 H13 O2 N1	132.1019	132.10205	0.2317782	132.10193	0	0	0	0	0	0	0	1671	0	0	2221	989	0	0	0	0	0	0	0	0	0	0	1199	1718	0	0	0	23216	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1433	1572	2227	0	0	1795	0	0	0	0	0	1384	0	0	0	1789	0	0	0	0	0	0	1145	0	0	0	0	0	0	0	0	0	0	0	1606	0	0	10142	0	0	0	0	0	0	0	0	0	0	19715	9636	0	0	0	2159	0	0	0	0	0	0	0	0	0	1732	0	1928	1259	0	Peptide	0.33333334	2.1666667	0.16666667
10	C6 H13 O2 N1	132.1019	132.1021	0.29068467	132.10194	1941	2809	2562	2146	3915	2833	949	1227	1230	0	4215	786	3132	1803	1369	0	1082	3856	1564	0	0	0	2785	1800	1187	0	0	43965	1468	933	2499	1451	0	0	0	0	2042	712	0	0	0	1602	1491	2145	1650	0	0	1978	2392	0	1864	2227	2124	1622	0	1109	955	2952	0	0	0	0	1397	1008	0	2121	1395	1452	0	0	0	1416	1665	1045	1175	1022	1583	1382	1142	49058	3572	1311	0	0	1228	675	980	1825	1800	0	64674	21179	0	4627	0	2218	1898	2280	1954	838	0	0	1392	0	0	2279	915	1466	0	1940	Peptide	0.33333334	2.1666667	0.16666667
14	C6 H13 O2 N1	132.1019	132.10205	0.25354132	132.10194	0	0	1755	1856	1325	1294	0	0	0	0	5019	0	0	0	1039	0	0	1449	0	0	0	0	0	0	0	0	1371	48038	0	0	1531	0	0	0	0	0	0	0	2462	0	0	0	0	1634	1604	0	0	1901	0	1234	0	0	0	1432	0	0	0	0	0	0	0	0	0	0	0	0	0	2441	0	0	0	1330	0	0	0	0	1297	0	0	18539	0	0	0	0	0	0	0	0	0	0	29694	16454	0	0	0	1702	0	0	0	0	0	0	0	0	0	1541	0	2077	3707	0	Peptide	0.33333334	2.1666667	0.16666667
16	C6 H13 O2 N1	132.1019	132.10194	0.18079726	132.10193	0	0	2372	0	0	0	0	0	0	0	1643	0	0	0	0	0	0	0	0	0	0	1977	0	0	0	0	0	21539	0	0	0	0	2357	0	0	0	1591	0	0	0	0	0	1122	1882	1950	0	0	1887	0	0	0	0	0	1424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1998	1847	0	0	18797	0	1183	0	0	0	0	0	0	1355	0	18333	6350	0	0	0	1936	0	0	0	0	0	0	0	0	0	0	0	1977	1686	0	Peptide	0.33333334	2.1666667	0.16666667
0	C7 H17 O1 N1	132.13829	132.1385	0.056342185	132.1383	0	0	1809	1716	1332	0	0	2323	0	0	0	0	2158	0	0	0	1558	3147	3887	0	0	4164	0	5692	2536	0	0	0	0	0	2050	1841	3154	0	0	2521	2580	799	1446	0	0	2933	0	0	0	1392	0	0	1786	0	0	1714	1805	0	0	505	0	21745	0	0	0	0	0	0	945	1981	3869	1759	0	0	0	1566	0	0	0	2171	0	0	1107	603	0	0	0	0	1288	0	1822	2483	3509	0	1468	0	7050	0	0	0	0	1949	456	0	0	0	0	0	0	9462	711	0	0	1830	Peptide	0.14285715	2.4285715	0.14285715
16	C8 H4 O2	133.02841	133.0286	0.30069885	133.02844	2099	0	3658	2802	0	2323	2127	0	1679	0	0	1497	1719	1601	0	2605	1671	0	0	0	0	0	0	0	0	0	2087	0	1649	1861	0	0	1841	0	2273	2136	3574	1613	3358	0	0	2232	860	878	781	0	1542	1088	0	1652	4934	4296	1496	937	0	0	1454	2109	0	0	0	0	0	0	0	2448	1152	2292	0	0	0	0	3063	0	0	0	657	1057	0	0	0	1293	0	0	0	0	0	2050	2164	247113	0	0	407133	0	0	1154	2111	4621	0	0	0	1939	0	0	0	62999	1217	816	0	0	Phytochemical	0.25	0.5	0.0
0	C5 H8 O4	133.04953	133.04979	0.10890677	133.04955	12732	10729	11434	11853	25980	34012	9135	23782	17556	5791	6550	13239	53032	31752	21736	8698	13572	39233	26085	5034	10257	11418	17109	13688	11880	5507	4487	7371	32604	10642	17667	14998	31547	17068	8151	17238	16877	13396	12269	6248	6077	11972	8608	8115	9362	11950	5183	7037	19435	13526	10328	10473	18095	7691	21930	13898	7649	22375	8591	5664	15761	5328	27680	9041	8376	30562	23271	9435	7628	8514	6531	19046	22007	23775	4893	23018	8968	12775	8737	8496	9716	7372	5849	5434	9698	11261	7840	13535	23346	5894	29088	18716	15778	6663	6220	8825	9372	12371	8793	7591	10414	9652	14637	5849	7782	21304	10578	8522	9313	43681	Unclassified	0.8	1.6	0.0
0	C8 H8 N2	133.07602	133.07623	-0.10280182	133.076	2321	3189	2758	2298	3991	0	8515	14271	1296	1798	2926	6642	0	5391	8312	0	31419	7449	6283	1885	2493	1973	4154	4722	2654	0	2500	5014	14598	2078	12578	4648	16857	11886	1924	3604	2898	6657	32270	0	0	5746	0	0	0	2223	0	0	3112	3354	2227	1733	9714	0	1184	718	3733	14946	0	546	1497	0	0	1630	6410	2292	11876	22398	390	3300	0	3976	3507	3716	0	6131	0	6150	6827	4602	2938	767	0	0	2477	4944	9083	10289	8661	13984	3742	11209	26408	0	0	0	3546	4866	1529	0	0	3703	0	0	0	17029	2170	0	12095	979	Unclassified	0.0	1.0	0.25
18	C6 H12 O3	133.08592	133.0861	0.18589686	133.08595	0	4411	4083	2504	3229	3252	4895	3129	3394	2538	4321	4344	0	6331	3242	1534	2359	0	2664	2869	2405	2417	4321	2832	0	1617	5455	275791	3389	3185	4202	4414	2560	0	0	3651	3790	2969	5045	2218	2561	3099	19999	24229	23451	1786	2547	23843	4725	2329	5385	3847	2948	20247	0	3696	6908	3547	15700	5847	5720	3059	2916	1356	6145	3027	4148	3524	3741	3397	3939	3874	4406	4261	3604	6160	22577	2199	3230	7266	3466	3429	5053	3338	3843	3816	1935	6616	3473	4314	3800	3622	2515	4097	1982	24983	4004	2407	3689	3121	0	0	3486	6504	17254	4414	2893	27075	3245	1884	Lipid	0.5	2.0	0.0
22	C6 H12 O3	133.08592	133.08609	0.15717812	133.08594	2318	3836	3994	2197	0	1405	0	0	0	9245	4986	1765	0	0	2360	0	2310	0	0	0	4280	1586	1355	1337	1531	0	1100	237079	2127	1548	0	0	1911	1857	0	1181	0	2700	1744	3120	3276	2334	8444	8971	10211	0	4505	8764	0	1856	2000	0	2289	9195	0	0	1925	0	12755	2557	2040	13459	1727	0	2494	0	0	2538	2277	0	0	1402	1167	1810	1442	2380	10684	1141	0	4577	1677	1597	2073	1157	0	2220	1968	2907	3098	1634	0	0	0	2732	0	8686	2968	3224	2441	0	0	0	2159	1464	194892	0	0	10817	1432	0	Lipid	0.5	2.0	0.0
0	C3 H7 O1 N3 S1	134.03825	134.03848	-1.0328496	134.03812	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19127	0	22896	0	0	0	0	0	27769	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21378	0	0	0	0	0	0	0	0	17852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.33333334	2.3333333	1.0
10	C4 H7 O4 N1	134.04478	134.0449	0.32117847	134.04483	0	0	0	0	2959	0	0	0	0	0	2419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	755	1314	2007	0	0	1457	0	0	977	0	828	1605	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1711	0	0	5322	0	964	0	0	0	0	0	0	0	0	6996	0	0	1811	0	1249	0	0	0	1092	0	0	913	0	0	0	1360	1621	0	0	Peptide	1.0	1.75	0.25
14	C4 H7 O4 N1	134.04478	134.04486	0.30883297	134.04483	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1624	2018	0	0	1806	0	0	0	0	0	1473	0	0	0	0	0	0	0	0	0	0	1078	0	0	0	0	0	0	0	0	0	0	0	1533	0	0	0	0	0	0	0	0	0	0	0	0	0	4921	0	0	0	0	1530	0	0	0	0	0	0	0	0	0	0	0	1494	0	0	Peptide	1.0	1.75	0.25
10	C8 H7 O1 N1	134.06004	134.06023	0.21468043	134.06007	10810	12199	12571	11736	17556	25133	7876	8466	2809	7379	8652	4853	3985	43413	3991	17573	6360	6501	5392	3790	2634	12225	3529	14503	4960	0	33083	78491	8901	6930	9210	12339	15890	23348	10032	7203	12927	5044	6840	3665	1103	7338	3506	2073	2030	4354	0	3224	10621	6878	15223	14128	9281	3393	3574	3492	6324	16379	0	1967	18683	0	6107	2811	5130	21967	13692	8416	0	1433	0	9017	20418	8441	9320	11353	1630	19269	5468	49359	5874	12419	2545	1251	2878	7472	17506	21213	12809	51550	192956	236066	15832	10993	10574	2617	8896	11385	9464	2781	4838	8365	7322	0	0	9797	4355	2232	6138	4754	Phytochemical	0.125	0.875	0.125
12	C7 H7 N3	134.07127	134.07149	0.25551426	134.0713	135336	171504	118109	112774	401127	140643	47166	1269	115405	609892	920486	11137	72819	959989	1357	0	23739	3159	4037	23267	13405	8819	0	0	9046	0	40087	2132101	7868	3897	3838	13413	0	19252	227681	5173	5248	4085	40467	7549	6462	391594	1412	429	1351	11235	31397	1183	13563	2443	144702	159521	182363	1655	3972	124869	513284	1808	20365	52507	0	1757	9102	9122	74892	697243	633474	36663	0	0	1271	4863	9258	1696	22125	6250	350	3258	0	234151	1905	1757727	59691	4475	1530	27639	0	45941	54939	0	359418	166114	0	65712	27013	4618	130038	149534	192409	199593	221004	3745	4264	34101	372992	2148	102514	955	4243	20531	Unclassified	0.0	1.0	0.42857143
14	C7 H7 N3	134.07127	134.07146	0.13206609	134.07129	74847	19135	67445	74937	153460	88581	19787	3054	21935	176540	331936	8841	193622	650831	0	0	13882	1411	4085	0	14119	0	0	0	4059	0	27923	654352	3946	2729	0	0	0	4260	40858	6411	1458	1671	11074	2742	4082	273029	0	367	794	4077	45788	458	6274	2255	34056	52990	137112	1734	3188	294697	250266	0	17091	22491	0	0	1590	2705	40379	315428	687117	11093	0	0	0	0	7372	2809	11322	1752	0	2936	0	149001	0	307426	41472	1775	0	24276	0	8647	16161	0	54939	96887	0	24315	26345	970	59700	63442	21134	65654	177994	0	0	34083	341175	0	0	725	2758	7516	Unclassified	0.0	1.0	0.42857143
0	C5 H11 O3 N1	134.08118	134.0814	0.045183975	134.08118	8313	5812	8110	6879	41154	98434	1642	24835	18742	1816	0	4705	90947	91867	3553	0	3808	95447	44169	2438	13526	20639	8232	6073	9382	651	0	1355	64149	3418	36200	11601	116513	29399	23162	11668	30296	3462	9795	4196	0	14133	3823	1981	1803	6192	0	1182	19747	2315	6668	6476	31311	4531	33173	10885	1809	27603	4377	1847	3587	0	85272	12867	3964	40627	80284	6627	1187	7451	0	30731	27497	8900	0	16518	1609	9168	3473	1072	3343	1574	1602	0	5699	7749	5954	21966	36060	7884	15915	15905	12992	1140	0	2838	6332	6271	4498	7679	3202	6048	4963	0	1518	34058	8389	1703	3059	157318	Peptide	0.6	2.2	0.2
0	C9 H11 N1	134.09642	134.09665	-0.002764527	134.09642	4584	5628	3901	4905	2923	0	3665	3326	619	2095	1701	0	13503	4680	2932	0	8851	1674	1869	0	2219	9249	2951	14167	8229	963	2530	3135	4074	2640	3607	2711	8893	0	1255	3140	17096	2164	8428	1291	1180	2596	4515	589	483	3923	1827	649	6159	0	4071	4427	3298	1676	497	4104	1454	27153	429	620	3234	0	0	0	1882	7406	3483	9015	353	1907	1424	1450	2542	2627	0	2348	0	0	7653	13097	26600	3810	0	4805	1202	2052	1750	1953	1913	18544	1478	1885	26890	1060	0	1950	4627	5326	1151	3823	3524	17036	0	0	1879	21739	1803	1085	11011	1714	Phytochemical	0.0	1.2222222	0.11111111
0	C6 H15 O2 N1	134.11755	134.11774	-0.006365787	134.11755	0	0	0	0	13805	0	0	0	4151	0	0	0	12815	31617	0	0	0	6932	3849	0	1412	1440	0	0	0	0	0	525	5576	0	0	0	5294	1892	3877	0	0	878	1871	2277	0	4438	2908	2285	0	0	0	2293	1110	0	0	0	11306	6377	4327	3288	0	1749	887	0	0	0	9790	1885	2925	12606	25786	2084	1846	1798	0	0	0	0	0	0	1175	1368	0	2957	1352	495	0	0	2359	2342	940	2044	2471	1240	0	0	0	0	0	2473	0	0	3295	3771	1279	0	0	0	0	1328	225582	949	0	38092	Unclassified	0.33333334	2.5	0.16666667
8	C4 H6 O3 S1	135.01105	135.01138	0.09307942	135.01105	0	0	0	0	0	0	0	0	0	0	0	0	0	22622	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8094	0	0	0	0	0	10956	0	0	0	0	0	0	941	0	0	0	0	0	0	0	0	1541	0	3227	0	1046	2686	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.75	1.5	0.0
4	C5 H10 O2 S1	135.04742	135.04765	0.24574976	135.04745	886	961	2156	2502	8865	5124	0	1091	1279	2403	0	342	2255	5586	513	1175	673	1573	924	2488	3696	1430	608	1572	277	1959	924	3228	4779	0	1698	1763	2326	674	3428	1807	977	589	718	9610	7114	1014	0	0	0	0	0	0	24515	682	1400	1025	6353	0	0	0	657	2044	0	1157	960	3168	0	381	0	2580	2414	0	1855	5935	7034	0	0	1516	0	1155	0	339	573	0	574	670	729	3636	0	458	2189	757	3270	1969	0	0	1285	1492	2162	0	1765	1262	5833	398	495	1696	474	1277	0	558	7422	0	632	1327	Organosulfur	0.4	2.0	0.0
0	C5 H10 O2 S1	135.04742	135.04762	-0.06358496	135.04742	10862	9299	11131	9470	0	4281249	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1171	4652	0	0	0	0	0	0	0	6566	0	0	0	0	0	0	0	0	7832	8469	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7852	3975	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2242	0	0	0	0	0	0	0	0	8879	9319	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.4	2.0	0.0
8	C5 H10 O4	135.06519	135.06552	0.08496957	135.0652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3173	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	344	0	0	0	0	0	0	0	0	0	0	2071	0	0	0	0	0	0	861	1922	0	0	0	0	0	0	0	0	0	276	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21207	0	0	0	0	0	Carbohydrate	0.8	2.0	0.0
6	C5 H10 O4	135.06519	135.06549	0.47042978	135.06525	0	661	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9258	0	0	0	0	0	0	0	0	0	0	0	0	0	0	816	0	0	0	0	345	0	0	0	0	0	0	0	0	0	0	1564	0	0	1427	0	0	926	1109	497	0	0	0	0	0	0	0	0	0	331	0	0	11320	0	408	0	0	0	0	0	0	0	0	0	0	0	4223	0	0	749	0	0	0	1531	0	0	0	32202	0	0	498	0	0	Carbohydrate	0.8	2.0	0.0
16	C5 H10 O4	135.06519	135.06541	0.080707155	135.0652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6138	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10184	0	1803	0	0	0	0	0	0	0	8181	0	1728	0	0	0	0	0	0	0	0	0	0	0	0	7513	0	0	0	0	0	57695	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4472	0	7560	0	0	0	Carbohydrate	0.8	2.0	0.0
2	C5 H10 O4	135.06519	135.06541	0.20673075	135.06522	3401	3864	4261	3180	1802	0	21332	0	1068	3911	11629	0	2714	3151	0	285	0	1114	719	1759	510	1301	0	575	480	26498	6216	46629	523	0	0	485	0	0	690	0	0	12370	0	1674	1927	0	20023	0	0	1762	4955	1415	0	0	3063	3364	778	2657	739	1062	2979	0	1626	0	757	12517	1211	348	6197	2083	1940	0	14159	3142	7198	936	0	0	3387	589	878	0	4485	132257	3929	14681	17917	18909	19913	30474	8493	0	433	0	0	1870	0	52577	6392	629	4036	3735	3852	2035	3668	0	0	1493	21769	0	14876	2038	7946	1381	Carbohydrate	0.8	2.0	0.0
0	C8 H10 N2	135.09167	135.09189	-0.096694894	135.09166	10334	9559	9603	9422	4998	0	6752	10298	3169	4827	2682	2877	0	12587	3618	2299	19756	8375	9424	2780	2231	8185	4740	10461	8406	1348	7488	4395	10080	6563	6447	12348	9494	13702	3677	16679	12753	4009	19371	1331	1391	9999	0	0	0	3290	0	926	12458	9783	9454	8528	9637	0	2634	1379	3900	17804	0	584	5589	0	0	2204	8290	5083	14528	22586	0	0	0	15354	26893	13937	3669	17032	659	3232	12508	2035	9279	980	0	1447	4907	8816	14333	6524	14031	31131	11226	6420	21498	1360	0	0	7882	10014	4364	935	2159	12065	2441	0	0	22414	4191	871	9200	2705	Unclassified	0.0	1.25	0.25
24	C10 H14	135.11682	135.11699	-0.005283012	135.11682	146946	179605	133363	141136	140172	89251	423987	126982	78290	87448	106552	92220	79781	291949	114257	177184	214645	96282	136977	96367	91833	101954	95430	106378	102688	109203	390517	183669	119478	127918	95712	145248	137487	96482	89694	144844	126286	97503	213899	85123	114223	118783	52231	23072	30061	80651	109933	24034	145585	141236	133749	140793	120468	45548	118974	96143	110284	181761	183684	126607	163535	153808	133293	82061	180073	126305	171146	244889	63354	69853	107674	81657	93166	126315	177647	151532	31794	86926	120159	284285	94701	101596	210026	445036	125012	117488	182194	90855	122310	317250	401743	276571	173077	86198	106088	33672	138897	154608	125556	104736	123986	153612	96127	119330	580758	124955	112135	26565	110044	91209	Lipid	0.0	1.4	0.0
20	C10 H14	135.11682	135.117	0.036941208	135.11684	117923	144016	115812	98897	114657	96479	276692	109316	75194	76189	79614	87518	90596	248499	106963	153643	173263	73528	101593	79762	77808	86523	78310	88917	90082	85995	315873	102617	103712	106628	80642	133155	131890	110374	74321	117625	115947	89002	176090	52935	73346	102262	54849	20258	20831	65931	86361	23519	125975	86332	123804	131240	94591	36405	66071	95885	109688	176721	63114	110236	127340	41203	105485	69329	157948	136660	127046	177290	43532	54039	77152	88088	107548	140377	176347	125305	25685	66887	104123	254212	76036	67266	240628	207132	100653	95819	162356	101893	101130	270241	249209	155148	173180	64380	69735	25206	116882	120912	107797	111605	153108	132466	89147	86562	126623	111486	104559	22054	100628	82090	Lipid	0.0	1.4	0.0
18	C10 H14	135.11682	135.117	0.04208834	135.11684	106826	108317	94183	88685	88076	79812	219731	114227	49380	60428	70114	75823	86675	185374	99044	128259	172737	86139	99997	78235	62528	71292	75867	73017	82607	68089	228872	75865	107856	102742	94963	130408	123282	100088	54036	108802	116911	73807	184286	43872	58982	83875	39068	14761	17073	45058	58788	17628	123360	84768	97784	98842	79793	23409	58863	76442	76910	155308	42014	81098	104304	29949	77267	57057	115075	99684	124584	201356	31046	33721	57395	70235	80173	118166	152602	119026	18375	68589	82080	130653	63324	60515	177033	220656	88097	80796	115074	79443	90227	197193	159215	116557	131907	52662	75111	23163	94698	92183	80082	94953	110267	118024	84009	76941	35728	73062	62457	16691	87433	61394	Lipid	0.0	1.4	0.0
22	C10 H14	135.11682	135.11699	0.022302533	135.11684	145535	182626	105760	140212	142598	123266	483553	136539	81476	99751	120760	94646	79286	303794	119847	160362	224794	95881	96050	88553	109828	104408	100412	94726	115528	116011	487614	200769	124736	128570	107586	139984	169753	108190	89601	156761	133982	122049	226096	72409	103404	121910	65469	32526	32723	76608	114204	28900	153102	138012	155687	141995	114461	62447	87860	112347	133157	182043	139479	130315	160631	114766	118933	85142	220498	142517	183979	236762	66223	76329	110488	88789	92689	133542	154732	164721	40391	82503	129537	386037	104518	111284	251177	442709	125332	120823	228166	111621	120347	335551	380738	255989	180017	105392	105475	36887	119962	156306	149667	131159	129557	165581	102702	107203	710561	125261	116550	27541	121118	106398	Lipid	0.0	1.4	0.0
0	C5 H5 N5	136.06177	136.06201	-0.026634904	136.06177	75207	70029	70024	66549	161144	810214	120180	456556	106691	27229	20865	84929	67205	251487	91640	174387	40283	156068	196219	8568	60198	89169	71242	81910	257750	15121	19196	158389	2627371	154390	819776	275568	389756	384677	46323	211413	93625	135606	61069	27396	16538	220283	41694	36797	19823	80923	8372	30223	384298	34935	68565	66593	143186	81902	57877	29366	48071	445076	22662	22353	119947	17865	104346	89787	67420	119455	284324	50443	19733	77734	24393	662887	2217850	313313	13113	710034	19405	208273	77171	25573	138377	19341	18994	17571	51243	112322	75200	157761	265487	70536	0	346803	25743	25630	15677	77306	59223	59679	67335	32229	37974	21626	132771	10404	9759	141354	39620	37213	134144	104126	Unclassified	0.0	1.0	1.0
14	C8 H9 O1 N1	136.07568	136.07588	0.16316995	136.07571	15063	11220	16167	16542	5760	13821	21671	26446	5735	4828	23754	20984	7824	10087	18052	24744	39704	6013	4843	4470	3407	7915	16358	10315	20262	3761	21755	218106	11526	19410	14549	16405	21164	18433	4443	16611	29678	19599	47844	5369	3397	14040	4558	7882	6004	5985	8378	8014	23820	17209	13936	13352	7847	5998	6871	6050	10529	22706	5032	5399	43544	1563	5629	3969	8287	8000	13109	39638	0	5061	2670	16543	21537	9754	14370	14233	6727	16745	12573	54996	14725	7228	5936	4002	7273	7981	18210	15012	17381	26096	79128	65794	24736	11378	7114	7801	16781	10571	5496	8491	8968	34841	16943	7233	0	37715	4323	7111	24906	5647	Phytochemical	0.125	1.125	0.125
0	C7 H9 N3	136.08693	136.08716	-0.08355379	136.08691	1679	1604	2496	1654	4659	0	1594	0	969	0	0	0	5735	0	0	0	6484	11236	16742	0	0	0	0	0	0	0	1731	2711	1641	0	0	0	2209	1511	0	0	0	0	5492	0	0	6888	0	0	0	0	0	0	0	0	2455	1766	8648	0	941	702	11108	0	0	0	1779	0	6636	2282	27011	62699	121146	7061	0	0	0	0	0	0	3219	0	0	0	0	0	0	0	0	0	3009	12538	779	22577	13911	1153	0	0	2015	0	0	0	0	2192	4750	549	2722	0	0	0	0	1895	1469	0	0	0	Unclassified	0.0	1.2857143	0.42857143
0	C9 H13 N1	136.11208	136.1123	-0.097832605	136.11206	44066	47636	47237	44676	65407	0	6347	7076	5061	15913	4357	3146	20391	18428	4038	3135	14904	18043	24491	16912	6186	19902	3747	4461	2995	2854	2462	11441	21900	2084	5685	9653	11734	8179	11065	9513	4774	3230	17025	9774	7803	183274	103025	666	622	8711	10647	680	16041	10626	51175	37787	217647	10719	5154	3764	41754	7781	767	6479	4862	901	4973	7531	4426683	163922	297319	25383	1778	8265	9184	3296	6028	4030	0	5720	1220	2177	8095	20954	3067	4034	0	6455	6895	8705	12957	11872	16528	116199	43398	8571	35366	2854	0	2685	46111	57004	12419	2637	4327	4962	0	6752	0	157505	7416	627	8763	9730	Lipid	0.0	1.4444444	0.11111111
2	C4 H8 O3 S1	137.02669	137.02692	0.1917839	137.02672	8343	8062	8061	9163	405	0	7114	1170	745	5434	30030	1670	0	1022	3451	1140	36843	0	778	0	523	1094	1252	0	2688	0	29719	226283	1173	6884	756	2360	997	0	1493	3163	0	2386	49324	0	0	15108	0	0	0	864	265	0	886	3930	7373	7518	504	0	1760	846	1296	863	0	395	1066	0	688	1605	0	0	609	44661	0	949	2130	0	794	7074	1521	23300	0	834	3825	310110	2771	25915	0	0	2415	2279	7019	1544	1493	11348	76112	24566	1922	43103	0	0	5054	5813	3203	449	702	572	4199	203	456	0	648	0	3106	509	Organosulfur	0.75	2.0	0.0
2	C5 H4 O1 N4	137.04579	137.04602	0.1484279	137.0458	22343	22879	13871	13423	49243	84194	2669	31120	13688	3153	7133	7879	57593	39367	19275	6869	8924	53700	38249	1443	1502	22776	12418	25307	12305	0	2650	12290	23213	9553	41864	32437	39997	103617	35337	25367	32298	14295	10701	1224	1780	27696	2823	500	651	7954	10777	365	30083	13914	22131	22829	39706	16364	8716	10102	8401	56891	329	960	6019	0	42095	5202	25279	88947	26458	13120	0	3925	2129	61099	58427	13446	2004	12337	262	6125	8142	0	9370	0	448	0	11867	26954	9536	74816	41305	18903	0	3777	44223	1110	0	1134	18803	17198	18437	4728	6525	28553	13004	2087	1180	38008	3288	600	12677	43270	Unclassified	0.2	0.8	0.8
0	C7 H8 O1 N2	137.07094	137.07117	-0.06544392	137.07092	3582	4738	3290	3011	20910	0	3321	4739	6300	1573	2065	2100	5111	5555	3284	8689	6763	15549	14061	1894	0	4844	3682	4860	6721	1695	6813	2275	5367	2589	5345	5142	9995	4387	3399	4171	7583	3724	5959	3644	1256	6241	2216	1807	2026	3863	1695	1764	5765	1960	2847	3733	12054	1931	5502	3381	4231	6375	1924	2033	8500	1240	11540	6109	3696	6824	8076	6056	1386	1973	1564	3221	4746	2976	6327	3850	1775	3157	4061	2631	4216	1937	0	1319	3838	6090	5773	8164	7728	5535	2068	1223	6615	1153	3321	2596	3318	4423	11319	3157	3956	4999	2456	0	1271	6259	5710	1962	4907	15076	Peptide	0.14285715	1.1428572	0.2857143
6	C7 H8 O1 N2	137.07094	137.07114	0.16815715	137.07097	6023	7777	4725	4824	4943	4295	6698	7315	3720	5064	1705	3945	2317	4601	3436	8979	9161	6904	5302	1977	1775	5424	5166	6678	4532	857	5818	6164	9874	8476	7183	13259	9626	10527	4325	9365	8196	4279	13113	1104	733	6214	1820	1513	1448	2844	0	1515	10235	7207	6513	5093	4603	1789	3087	2091	4272	10578	1303	2504	9136	0	3429	2395	2914	6511	7218	10757	0	1579	0	6763	9518	11588	7256	11819	1318	4478	4032	0	4226	2772	2071	939	3047	4291	6155	6296	7191	12122	27523	12076	11581	1921	6190	1703	4752	4892	2743	2993	3454	7133	6692	1545	0	7759	3700	1658	4958	3579	Peptide	0.14285715	1.1428572	0.2857143
0	C9 H12 O1	137.09608	137.09634	0.005521497	137.09608	35665	32945	26500	33128	42302	95665	87575	34610	41799	40105	30149	29446	38545	379924	37227	36056	36437	46520	64497	35883	39098	43177	28376	29962	25769	49868	42436	30822	38059	28973	33527	24339	47276	40135	44985	33328	37783	34135	34362	40755	35240	69615	46532	44582	44102	47301	27703	47967	38768	23131	30612	37461	39183	32340	26902	47827	50312	39981	33602	34251	73999	27835	59532	29056	55154	33600	155429	29431	40807	59306	39671	35355	40888	27800	20999	39537	38191	27035	28478	21031	36773	36480	62740	183623	27225	26599	31192	40996	59757	30050	34369	38193	28998	24847	41388	45219	23135	41915	59884	46874	39528	41306	40879	37326	34284	29681	30899	40457	31616	46389	Lipid	0.11111111	1.3333334	0.0
0	C8 H12 N2	137.10733	137.10754	-0.1657963	137.1073	4286	6017	5264	3424	2869	0	3011	11418	1651	6435	5677	2945	0	0	2818	2738	15212	6386	7817	4072	6286	9316	6674	1795	3054	0	0	8217	7504	0	5056	3785	9596	5658	6641	4533	5562	5055	18673	1915	2156	6001	0	0	0	3179	0	0	4074	5661	6221	5471	7125	0	1385	733	3077	12728	404	930	2990	623	0	0	5060	1806	6932	17874	0	0	0	3659	4344	3299	2234	5157	0	2770	12571	2904	7967	884	0	0	1624	4542	9922	7084	8769	24716	3509	7218	34668	1140	0	0	4452	5313	1653	669	1009	2595	0	0	836	23228	2141	0	11471	2503	Unclassified	0.0	1.5	0.25
14	C10 H16	137.13248	137.13266	0.16449964	137.13249	5667	5450	3960	5614	4889	4104	16060	3287	2687	2099	0	2769	5270	24687	3795	5696	11041	2979	4095	3328	2559	0	1932	0	2133	7477	15547	0	3687	5170	4248	0	4837	5402	0	5020	3861	2733	9380	1657	3364	7685	4243	2492	2277	1971	0	2710	4737	3337	5869	4559	8404	2652	3126	3630	7139	5497	0	0	0	1744	6200	2499	13771	6798	13269	9033	0	2899	2805	3445	7592	5034	7015	6372	2113	2242	3260	0	1951	4257	21804	48226	3149	3484	5018	2065	4079	10485	5907	3016	0	0	3375	2962	5232	5888	5457	4331	3402	3570	1920	2524	0	6015	5305	2527	4202	2475	Lipid	0.0	1.6	0.0
12	C10 H16	137.13248	137.13266	0.1926066	137.1325	6465	8609	7846	6406	8987	4682	9433	2081	0	3986	0	1523	6008	18173	1955	3332	5530	6594	3232	2294	3079	5007	1808	0	2117	3781	10449	0	2352	3135	1814	5232	4261	3297	16891	2442	4614	2490	3414	1380	0	8654	1918	2274	2298	3128	34554	5894	2710	1524	8520	9568	6753	5400	1268	2371	4501	6689	0	0	0	0	14190	2556	7856	20144	8509	4125	0	1590	3391	2521	3556	5122	5884	4110	1570	1175	1995	0	2522	3291	14705	46055	2578	3405	4559	2535	4671	4100	2918	6189	2091	0	3600	4504	8117	10856	2776	3631	4117	3128	1700	2766	0	366695	5241	6734	1969	6453	Lipid	0.0	1.6	0.0
10	C10 H16	137.13248	137.13268	0.19109815	137.1325	1444	2216	1254	0	3329	3121	2404	1370	1083	0	0	0	1895	6000	0	1821	2113	1748	1636	1268	0	1603	947	0	932	2454	2761	0	1233	1111	0	1740	0	0	1724	1224	0	1345	3597	0	1443	1414	2419	1714	2309	0	2371	2369	0	1021	1275	1988	1520	1895	1403	1367	571	1534	0	0	0	0	2232	0	3100	5632	2861	2547	0	0	1871	1064	0	1568	1875	1168	2040	0	0	0	1589	1628	5162	10725	2086	1680	3498	1712	1431	2860	0	0	0	1200	2177	1760	1588	1894	1667	1476	1722	0	1304	0	0	34703	1469	2111	1422	0	Lipid	0.0	1.6	0.0
0	C8 H11 O1 N1	138.09134	138.09158	-0.04810297	138.09134	33427	37449	29914	31763	36133	23908	78750	45256	27389	17193	24208	16963	52322	40944	23369	10106	37022	41805	51264	17463	20143	26889	22474	16514	18085	103097	17509	51750	41455	18227	35701	22886	52862	37652	29699	25849	24571	29629	44323	21709	26899	30718	88042	16490	33136	24485	18698	29166	38302	23147	33256	32519	43638	24229	16745	26055	23385	45165	15655	31736	16572	8834	25436	18730	33412	28958	47618	35946	20271	29886	39851	28845	34675	24002	5321	48047	17656	19899	46428	24944	38434	33051	295695	988892	32338	34550	46377	35103	40735	35541	14793	20998	43443	12726	8819	55411	33650	39050	17425	40558	44916	21313	17545	9322	14365	41892	38944	43948	33864	31427	Lipid	0.125	1.375	0.125
2	C9 H15 N1	138.12773	138.12796	0.19994049	138.12775	1415	1958	1261	1697	983	0	835	1521	359	4635	1007	404	777	1101	356	61781	1316	860	1864	2728	2812	3852	665	8915	3616	0	5652	1168	1820	3995	952	1950	1314	1342	3890	1242	1383	811	1916	1448	689	0	1745	0	0	1361	1383	0	4127	1183	1862	1106	1334	0	432	296	345	3973	0	309	56718	317	776	0	0	1327	581	1345	0	468	0	873	1537	1491	29209	2115	906	578	1461	0	600	0	362	577	501	346	1065	914	1116	4532	3987	1597	3170	1403	6944	0	1107	1412	0	0	366	5608	640	2203	808	1931	238	0	1047	1000	Lipid	0.0	1.6666666	0.11111111
8	C7 H10 O1 N2	139.0866	139.08679	0.112370335	139.08661	8945	15644	14190	14921	9216	13506	13848	5924	5712	9582	28284	3558	5801	19589	5599	9384	12021	12273	16048	2325	2641	12995	3383	8802	9596	1740	17223	90695	4902	3994	4741	6285	51157	6525	6378	2211	39672	5142	21021	1171	1788	7793	1543	1825	2107	4380	1241	1883	7805	3380	14281	12834	21314	1680	5445	2673	6112	14005	1434	2909	5002	1831	6782	6323	3247	18306	15445	19235	0	1102	1978	4740	3815	3529	10756	4311	1476	3145	10688	182061	6902	3669	2954	1759	4148	5345	14274	16633	8784	17521	175935	70691	17193	42473	22726	1777	13824	11868	4889	2947	4020	13510	5690	2691	0	11863	4123	2137	16658	10129	Peptide	0.14285715	1.4285715	0.2857143
0	C6 H10 N4	139.09782	139.09807	0.024032293	139.09782	4430	3871	3775	3650	10217	14170	1357	10118	3917	0	0	2466	6716	29269	2114	4895	0	11484	5581	0	773	5604	4954	12396	10556	0	1601	0	28327	4073	14291	7622	75202	9048	1286	6099	17875	2813	1831	0	0	3197	0	0	0	3169	0	0	13494	4153	4449	5205	8966	0	3635	789	1504	10168	0	0	5255	0	6694	2405	1347	4082	23423	1103	0	1928	0	6157	6575	2893	2689	8660	0	3401	2614	0	3137	0	0	0	0	1291	3062	7126	9278	2103	1290	0	7658	0	0	477	3951	4017	2324	0	0	10911	0	0	0	15232	1473	0	3629	30014	Unclassified	0.0	1.6666666	0.6666667
0	C8 H14 N2	139.12297	139.12321	-0.058187325	139.12297	3081	3037	3498	2837	3137	0	2827	6936	854	8522	2783	0	1715	5729	1277	7378	11412	13216	7908	2105	3426	5112	1998	4071	2303	0	0	5384	9974	2615	5081	9046	4577	7807	3872	8786	5073	2433	10884	0	1291	4055	0	0	0	0	0	0	8071	3379	2579	3489	3284	0	1451	1680	1766	13122	527	1082	8232	0	0	0	3691	3079	6042	12526	0	0	0	6578	10602	8509	6025	10746	0	1023	3121	1938	2195	0	0	0	1625	4321	5850	5879	4271	23203	5921	4868	6477	1365	0	0	3255	3513	835	2525	1539	2971	1665	0	0	11761	3157	0	4719	2210	Unclassified	0.0	1.75	0.25
12	C8 H13 O1 N1	140.107	140.1072	0.14122601	140.10701	136343	203690	164529	177091	54407	133464	72904	124156	14482	41280	23240	68368	59958	107682	43666	366111	136519	155062	120067	60144	27367	128093	62434	293872	83817	0	127656	22064	242441	399790	150308	505111	204350	483463	29046	350372	726485	40215	148274	10142	7764	140405	1884	2262	1826	51799	9879	2665	642671	186181	180717	181519	74894	3372	12132	5672	33099	360827	11682	14924	302221	3135	126520	22410	23924	109286	117525	144426	0	9837	4285	313615	385973	294525	214456	333303	1431	77921	32373	0	39255	13348	15831	3874	17727	23242	48202	402872	221648	147525	97283	51100	263876	7805	23323	3042	183965	162262	15138	8328	8341	307673	67435	50096	0	160331	20155	2273	44788	65499	Lipid	0.125	1.625	0.125
0	C4 H9 O2 N2 Na1	141.06345	141.06372	0.19763488	141.06348	8945	11071	9394	8133	40131	13199	2010	18220	19398	0	0	4969	39956	11156	4296	8123	0	37351	35924	1646	3809	34118	18122	16528	9081	0	0	0	16915	3790	20688	9628	25117	19454	2733	8183	13696	0	19447	0	0	9322	0	0	0	5847	0	0	16846	4888	7664	7648	0	0	23883	10973	5224	36648	4004	0	8368	0	21191	14785	7543	48908	22496	9340	0	3289	0	22971	17421	4428	0	13107	0	4611	15355	0	10905	1097	1672	0	17671	3062	15397	12678	29793	31069	10511	9965	36877	0	0	0	9992	6891	15000	12769	9922	8633	6117	2235	0	31002	9844	0	8718	70305	Peptide	0.5	2.25	0.5
4	C6 H8 O2 N2	141.06586	141.06607	0.016398462	141.06586	39501	57456	43554	45973	90728	36238	14464	62708	26376	8826	11276	23891	73520	52036	19279	176680	46394	64155	75425	7874	8446	25683	20130	156853	17441	3402	22046	8789	42946	33740	80398	59798	61781	58684	13499	54521	47867	20630	53639	6542	5019	42811	5663	5951	6662	38942	4151	7325	59569	32187	47355	32316	53126	6640	40463	16055	19936	208911	4528	4855	207173	3841	108552	41490	17728	89712	47378	46781	4399	18636	4237	53554	67692	55870	31340	58546	4372	17983	14537	11642	19226	8198	6568	5275	24604	23449	22839	40183	68099	38404	16569	8484	48037	5244	5065	9442	42321	40723	22058	31620	25454	41752	27588	5506	5582	52921	28220	7035	21623	88484	Peptide	0.33333334	1.3333334	0.33333334
0	C6 H8 O2 N2	141.06586	141.0661	-0.03275915	141.06584	5593	7479	5141	6607	14107	7967	4799	10001	19622	3264	3916	4354	40455	22571	8823	5157	6243	13355	11202	3583	8140	8728	6288	8433	14908	3579	5753	4644	13244	5496	9968	5870	23815	8726	28629	6874	7454	7497	7520	5728	3242	8141	5741	5817	5551	6307	3412	5678	6060	4398	6128	7275	15064	5626	15814	19321	6912	10074	5796	3113	7873	3022	15648	5779	9589	14555	17258	5672	4149	4375	3188	7301	8604	4756	3580	6798	5390	5209	5743	7002	8400	6613	4439	3491	9640	8357	6578	9779	9574	5881	8744	5880	8544	4695	5437	7371	4833	5846	11346	16596	10644	6998	6797	4705	4170	7546	14932	6354	6079	24667	Peptide	0.33333334	1.3333334	0.33333334
6	C8 H12 O2	141.091	141.0912	0.003841545	141.091	307685	345795	306511	332315	141625	133297	2279849	197094	104509	89100	359660	119036	155435	611599	148106	189602	270195	154127	172327	98484	82417	82419	150296	138212	121012	1867064	2444039	405034	225948	203527	178662	228589	178716	191812	85817	232706	156642	159968	454801	44047	319823	201123	141228	56868	60993	113975	206843	56801	230439	180857	341019	337235	135411	75358	97382	572575	324156	211068	70149	333073	230232	197236	238551	77145	2840773	197469	323367	348530	407110	125676	309267	148232	200229	252550	168360	196805	49644	104406	118863	528851	132350	558446	1984978	8448600	120463	150592	211226	124462	168983	271533	100494	77297	132733	181062	78102	63023	293759	315149	568289	128372	170189	181062	140385	83679	203876	139928	119535	58345	132915	154929	Lipid	0.25	1.5	0.0
10	C8 H12 O2	141.091	141.0912	0.07011708	141.09102	227073	199397	188714	171580	211385	246463	431067	232806	130292	69635	113241	182085	196756	1518039	222550	225410	228697	197501	228554	91640	62497	81973	209920	139864	255341	219050	403752	215833	260329	225461	225936	252636	216607	236761	77718	242881	200118	204024	260927	55468	74503	202523	228691	74950	70838	99339	53817	80562	237105	186326	205178	216891	163876	80734	122819	169371	171252	287712	60943	83379	267737	50495	200490	104959	650277	325540	663163	274333	80602	105496	78407	223429	213185	258884	189688	236639	67741	159481	177857	252193	180561	145626	416177	857820	158684	184992	386059	158874	188718	212525	304185	125901	152585	80631	62519	86725	194756	224945	286840	159570	199716	185986	184948	79128	51895	188814	132621	75953	176383	186846	Lipid	0.25	1.5	0.0
14	C8 H12 O2	141.091	141.0912	0.059097163	141.09102	175268	196002	167072	218845	131194	158044	407647	141991	112517	58630	158724	135693	122919	398127	162735	146306	185356	108802	127934	61454	59178	70881	120852	84488	159674	157168	404075	786956	180086	171656	137557	199245	157734	167936	66202	179024	131610	142167	208054	103790	60133	122926	211351	91453	75313	60359	51709	93502	173711	142612	221312	177885	130442	83868	102077	166040	188546	160793	103529	89756	109717	721369	143196	95754	408671	183455	216969	178552	42285	53699	84866	157459	177996	218204	153806	190447	80643	140415	119238	218430	122651	413480	445062	1405758	142466	139405	236723	116926	143267	161894	2712504	1231525	119067	391803	110597	102743	235693	199633	197316	151193	186586	140716	160288	59801	586354	126876	128186	87676	156479	97190	Lipid	0.25	1.5	0.0
8	C8 H12 O2	141.091	141.0912	0.05533826	141.09102	173431	188783	150491	188800	173661	190052	298064	194813	113353	77622	107606	146345	188340	658545	163541	211695	276056	181117	231372	107810	81304	76917	164424	124911	140877	145543	273942	182082	245121	215973	192097	278089	199016	217771	88494	252618	198730	156446	286075	54665	63737	237247	112397	60379	65188	97186	74519	66331	261503	185867	166980	181431	161664	76970	122267	121960	153077	217486	56297	74731	218427	48128	224404	110891	353243	254537	408802	263363	71512	88491	77961	193621	236594	221122	214583	267783	59427	142974	128472	217486	113389	115837	270529	665659	127114	138642	238703	158561	214110	189502	103031	78438	138234	82890	60669	61628	178737	177942	168397	154356	187215	209605	139056	83751	42742	154387	127493	60396	149020	147516	Lipid	0.25	1.5	0.0
22	C8 H12 O2	141.091	141.09117	0.030442009	141.091	67509	80532	59052	73682	71036	64645	418341	80497	64325	38620	43827	56009	47160	131049	89001	75368	99773	58716	47006	43560	36960	47842	63875	59114	73298	69800	313090	46053	84246	78250	63835	75470	96323	69839	37283	79931	88839	75163	104108	34162	48442	63323	79815	70795	67484	41845	52432	67099	81306	76743	74324	75811	57357	65516	61992	69228	77798	87265	45564	75811	68819	29708	79340	64051	137382	72868	80737	88660	33961	33013	43022	50656	58613	73907	70952	81589	63006	49495	74070	48562	62250	48940	243352	188178	74516	64238	89931	64764	68116	106859	76661	61151	75518	36068	42216	57894	59671	73414	78003	75936	73360	95304	68570	56270	43843	64935	61507	68607	72212	85179	Lipid	0.25	1.5	0.0
24	C8 H12 O2	141.091	141.09117	0.018123833	141.091	60087	70502	73372	72065	64244	62767	360533	67655	52572	33783	41091	61576	58634	136059	65266	75160	89070	62094	72925	36646	38774	38850	53310	50352	54964	62294	283334	51453	65004	66531	55746	65159	79406	55583	31739	68920	75493	64477	99279	37361	42899	62357	69938	50262	61814	44324	47572	56662	90672	64381	62963	63101	57876	60723	58477	66211	58521	89218	51615	77265	73954	30573	71147	49720	99751	69362	73465	74762	34242	39450	40473	52797	53022	60735	54561	79076	63374	61251	60778	55060	56934	52828	171885	136381	65301	57429	80452	56095	69636	101392	86198	74964	74821	26675	45254	57819	62409	75131	59741	56664	61689	77664	57284	58337	43068	56608	51345	61280	65766	73716	Lipid	0.25	1.5	0.0
12	C8 H12 O2	141.091	141.0912	0.046669066	141.09102	235839	316603	300572	306450	198387	233143	639618	257125	201965	97748	278732	204148	157804	860389	314237	340660	390274	215952	264707	101415	94536	152273	253217	166427	348559	190089	801417	342481	313863	310412	239560	384397	289343	359692	119634	306449	271230	322577	403529	56903	85218	268743	139077	102292	90378	96961	105237	107312	383722	260691	302655	314762	187754	90435	186061	241377	342158	306134	77693	128596	318583	59811	308577	150622	762584	392572	434675	355152	100966	109073	116461	296037	353098	352484	358101	375116	92298	285624	230673	422568	237671	202711	365701	700856	197100	269771	462432	231064	230102	314225	224447	185331	227445	112094	103667	99137	318189	290224	364846	170617	230513	287535	265301	86890	83055	240004	206322	102459	300962	194128	Lipid	0.25	1.5	0.0
8	C7 H12 O1 N2	141.10223	141.1024	0.054177962	141.10225	4565	6112	3867	4098	0	947	0	9724	920	4263	0	716	832	53973	1634	12264	2048	0	22025	3180	0	1310	0	13530	1218	842	1203	0	969	14914	6031	7010	0	1490	982	7446	0	731	2212	10307	764	666	500	569	356	51582	0	555	11210	7256	3223	4056	904	426	0	542	646	27319	0	1333	6484	0	0	0	0	0	0	1668	0	19412	0	1028	881	5983	1594	12789	445	1103	1251	2619	1193	1264	744	999	0	0	1534	1227	32371	2264	25316	0	1467	0	29368	599	3567	3710	873	698	0	0	1172	7601	0	1632	1687	659	830	851	Peptide	0.14285715	1.7142857	0.2857143
0	C7 H12 O1 N2	141.10223	141.10246	-0.07419309	141.10223	6370	6655	6126	4384	9455	0	5273	16567	10583	1560	0	7078	10330	4501	7213	8837	14533	19713	16951	2257	4963	17969	13843	12331	11135	937	2186	3251	22243	4852	19088	9383	36884	10923	4724	10473	11681	10296	22073	1360	0	10163	0	563	494	4574	0	997	13600	5366	6236	5995	16981	540	10942	3553	7885	23190	2045	1241	9306	0	9294	5713	11447	9017	21900	16867	737	2525	0	9086	10512	7985	5041	13497	1996	7516	9254	3458	8653	2167	1470	0	7240	9868	12077	14086	19687	21657	5060	5663	22001	0	0	941	3554	5159	5593	5504	4865	7595	8939	2641	1086	25744	10169	907	10910	17372	Peptide	0.14285715	1.7142857	0.2857143
26	C9 H16 O1	141.1274	141.12752	0.08977737	141.12741	5249	5025	4891	4719	4489	3676	34848	0	2814	2303	6011	4557	0	19240	0	0	6738	0	4523	0	0	3053	0	0	0	7677	32442	8855	0	0	3808	0	5532	4124	2538	5670	4910	5335	4196	3036	4873	0	5545	0	0	0	0	0	5654	0	7765	4710	2608	0	4153	0	8411	3929	3721	6733	5882	2660	5589	2780	22720	6583	8460	7565	5625	4290	3441	3091	4737	6568	0	5662	0	4531	3385	8810	3581	6760	8706	9200	6930	0	4702	5457	4343	6383	7962	5955	4197	2824	0	0	5313	0	7171	3729	6344	6881	3403	0	6036	4774	5697	5247	5808	4067	Lipid	0.11111111	1.7777778	0.0
12	C9 H16 O1	141.1274	141.12753	0.04190971	141.1274	2307	2259	3747	1483	0	0	8993	0	0	0	0	0	0	34045	0	0	1971	0	0	0	0	0	0	0	0	0	10428	0	1615	1481	1234	2826	1700	2202	0	0	0	0	3325	0	0	1899	2458	919	1175	0	0	1667	2663	2192	1579	1780	0	1560	0	2548	1346	1921	0	0	0	1862	1352	0	27248	2714	8597	0	0	0	0	1813	0	3069	1862	2519	954	0	0	0	0	1031	10199	64537	0	2093	0	992	1298	0	0	0	0	0	1297	1102	1744	0	1598	916	2314	1951	0	0	0	0	1055	1959	0	0	Lipid	0.11111111	1.7777778	0.0
24	C9 H16 O1	141.1274	141.12756	0.06288978	141.1274	6951	8658	7126	6748	7481	5637	70302	3645	2840	2411	4508	3364	3048	31762	5451	7728	10755	4321	7288	2955	3147	3418	1602	2627	2135	7975	43346	6860	3002	4426	4754	5325	5491	3763	3620	5458	3600	4479	9769	1888	3916	7222	8454	3091	5541	3887	6961	3390	4686	5221	9059	6048	6228	5869	3538	6249	11846	4425	3487	8947	6331	3571	8186	4238	36061	8087	19413	9726	4992	2839	6997	4210	3395	3652	6683	6158	5282	4686	2450	7714	3680	5663	17143	15280	6557	0	4386	6076	7347	9607	7700	5703	4329	3435	3303	4574	6558	5553	7477	5255	10964	7684	3798	5517	4354	3096	8328	5761	6303	6411	Lipid	0.11111111	1.7777778	0.0
2	C8 H16 N2	141.13863	141.13885	0.14088355	141.13864	2069	3391	2334	2019	2366	0	1101	3012	696	1927	0	1308	488	1246	1687	19886	3480	1983	2661	2660	2046	8141	1705	6987	4604	0	1695	0	1490	1462	2180	1942	1852	2036	2219	2076	2341	1470	3416	1256	0	0	0	0	0	1459	567	0	3561	1817	2850	2281	1774	0	685	0	721	9456	0	0	15078	233	1210	632	0	1401	2575	4531	0	688	557	1536	1536	884	4661	1865	0	1442	5215	0	2095	0	0	410	972	784	3632	1746	1445	18689	2780	1977	23403	590	4288	0	2165	2522	915	0	610	2411	819	7766	245	8990	270	0	4210	1350	Unclassified	0.0	2.0	0.25
4	C6 H7 O1 N1 S1	142.0321	142.03236	0.09533768	142.03212	575	679	567	0	3602	2716	0	0	1504	0	0	0	769	1375	539	0	0	337	711	0	0	0	0	0	263	0	0	0	0	0	0	0	0	0	0	0	0	358	0	0	0	23444	0	0	0	0	0	0	0	0	468	0	8073	0	4965	300	24393	0	0	0	0	0	244	3367	7800	10448	29396	0	0	0	0	0	0	0	0	0	0	0	397	0	0	550	223	0	490	2371	0	661	962	392	0	0	0	0	0	0	683	606	1430	0	713	0	400	0	0	0	1245	0	0	764	Peptide	0.16666667	1.1666666	0.16666667
8	C6 H7 O1 N1 S1	142.0321	142.03227	0.15550336	142.03214	0	2923	2237	1470	683	913	1153	0	672	2022	4052	0	0	0	1275	2077	1617	0	1078	0	0	1828	784	1767	760	0	776	10518	0	1102	0	1529	0	1887	0	0	0	0	1292	0	0	1391	0	0	0	0	0	0	2140	0	2341	1287	720	0	0	0	605	1886	0	0	0	0	0	0	0	0	0	1084	0	0	0	772	1850	0	1069	1954	0	0	890	91391	0	1002	0	0	0	0	1829	1456	0	1918	89696	15975	0	10394	6211	0	1615	1143	2854	0	0	0	634	0	0	2876	0	0	0	0	Peptide	0.16666667	1.1666666	0.16666667
0	C4 H8 O3 N1 Na1	142.04747	142.04773	0.13282247	142.04749	3853	4160	4616	3506	2916	18684	0	3985	2541	0	0	0	16680	5830	0	0	0	15072	6411	0	2559	6759	2052	2490	0	0	0	0	6297	1869	3461	4289	6461	7333	45157	2828	12187	0	0	1522	0	5437	0	0	0	1831	0	613	4964	1768	2702	2056	2570	3023	3081	582	0	6331	1299	0	1647	0	4003	2188	0	7496	4449	0	0	3458	0	4896	4284	2345	0	3706	0	1913	0	0	0	0	0	0	0	0	0	4190	3214	0	6472	3720	8347	0	0	1100	3126	2491	815	486	0	3139	0	0	0	7907	670	838	0	17417	Peptide	0.75	2.0	0.25
0	C5 H7 O2 N3	142.0611	142.06133	0.007294119	142.06111	0	0	0	0	2755	0	0	9379	787	0	0	9784	2339	9878	1819	0	0	19918	7786	0	1944	0	3475	0	1401	0	0	0	14236	0	36325	0	30717	4071	1488	0	6070	920	643	0	0	1200	0	0	454	0	0	0	4477	0	0	0	13135	0	817	0	0	2882	0	0	0	0	0	0	0	0	8528	0	401	0	0	6001	5913	0	0	10467	321	10526	0	0	0	0	0	0	0	0	0	6811	0	0	0	0	1490	0	0	375	0	0	516	515	0	0	13806	0	0	2494	0	0	0	5367	Peptide	0.4	1.4	0.6
0	C7 H11 O2 N1	142.08626	142.08652	0.062596984	142.08626	18555	21278	19220	21102	42600	40475	12578	62135	38838	9945	12313	16998	58514	49032	32923	20325	18727	61669	46316	14276	26234	42902	30908	27389	47108	11878	11922	13066	93465	18272	70657	37831	122854	47785	31475	37865	38361	28301	26466	19598	10052	34109	16354	17567	17501	26670	10103	16007	45256	18209	21670	20759	53501	13232	36760	19041	18995	70404	15848	10980	34600	8754	51055	25493	19762	43466	73103	14779	13207	16464	9719	43949	47630	28260	8143	44638	13433	27073	19216	13763	21219	16245	15139	9121	19351	14951	25975	29892	44269	21837	28839	25061	37347	10233	14416	19391	15427	21082	19964	27082	19418	35294	30338	16500	12990	59234	19502	16427	19574	83308	Peptide	0.2857143	1.5714285	0.14285715
0	C6 H11 O1 N3	142.09749	142.09773	-0.073146924	142.09747	4621	4877	3814	3260	8310	0	2175	10481	5170	1231	1730	5972	5067	6922	3684	5625	11606	8443	7391	0	5544	8828	9271	6014	5554	0	0	5769	28281	5214	11051	9640	46693	9956	6827	7430	9484	5523	14983	0	0	10659	0	0	0	3490	0	0	8562	5455	3887	3044	10806	0	3178	2990	6799	13490	564	0	3900	0	4127	4223	7663	6074	19457	13281	0	0	0	10417	12508	6638	0	12690	0	6689	4027	2524	3883	515	0	0	4791	5663	4440	12446	12385	16704	1582	2534	18888	0	0	0	4755	3560	2848	2280	2241	6847	6882	0	0	18776	8659	0	3604	6833	Peptide	0.16666667	1.8333334	0.5
2	C6 H11 O1 N3	142.09749	142.09767	0.134912	142.0975	0	0	0	0	0	0	1755	672	441	0	0	1392	0	0	0	810	609	637	1818	0	0	0	627	794	997	0	1652	0	0	0	3202	625	706	857	0	0	943	442	452	0	0	0	0	0	0	0	0	0	0	0	0	603	297	0	0	0	8916	2032	0	0	472	0	0	370	25532	0	2605	1000	0	283	0	804	539	0	0	480	0	1738	719	0	980	0	0	0	0	675	560	639	2084	1515	0	0	1352	0	0	0	0	0	693	0	0	707	1391	0	0	897	0	0	1226	0	Peptide	0.16666667	1.8333334	0.5
0	C8 H15 O1 N1	142.12263	142.1229	-0.003824721	142.12263	12728	15719	13596	10873	19424	347342	10567	29358	12775	9076	3684	9089	33622	44610	6915	23800	20151	31706	31086	9058	16776	27278	15742	12748	13436	2188	4495	9032	58461	15408	46647	29217	45672	38175	17433	29291	20782	12077	26990	8761	2539	77873	33595	1491	1631	16107	2111	3923	50369	8150	10869	13863	25152	1652	9394	9702	11399	49117	3867	8479	27788	2095	21806	8732	25507	25698	50570	24844	2144	8737	1855	25826	72515	26441	6145	39680	34552	12125	11777	4444	16984	3721	5184	2754	20713	17272	20565	12774	20995	28141	11686	11766	21558	3363	5492	1844	10526	11226	10560	15746	14489	14710	10080	6866	3513	54340	22608	3097	16093	30775	Lipid	0.125	1.875	0.125
2	C7 H15 N3	142.13388	142.13414	0.21168141	142.13391	2144	2130	1734	1372	0	0	5637	4304	0	986	0	1110	0	0	1899	2939	3209	0	1071	892	1147	5041	1368	1436	5153	0	0	0	2277	1701	4409	813	866	0	894	2404	823	1710	4152	817	0	0	0	0	0	600	451	0	1607	4465	1790	2431	0	0	370	0	410	9791	0	0	3086	295	0	326	0	0	1049	4408	0	839	446	0	0	1111	268	2963	0	1312	16256	0	9500	0	0	455	0	3070	22543	424	0	22883	0	0	22584	0	2476	0	2281	2000	0	0	0	947	1133	810	265	7822	0	0	12736	0	Unclassified	0.0	2.142857	0.42857143
4	C9 H19 N1	142.15903	142.15927	0.19934946	142.15906	6711	7577	7436	7447	8634	5417	11495	24587	466	5104	2363	6466	1849	1856	0	41580	7965	2159	8265	2235	2870	3685	2318	8196	9707	221	12961	3283	21750	16326	12118	34240	3872	33116	7271	30779	2851	3563	6255	0	0	4361	0	0	0	1348	1001	0	21968	14127	5910	6979	2812	0	770	428	863	35062	0	0	31687	0	707	943	1799	2330	4144	8554	0	2070	0	21160	22010	29796	21326	23512	0	6505	1248	0	1518	0	0	485	0	1222	2670	2103	11119	5786	5954	0	16970	670	0	0	5600	6454	799	0	336	2052	5777	0	0	26414	1770	0	5582	971	Lipid	0.0	2.1111112	0.11111111
4	C5 H6 O1 N2 S1	143.02736	143.02759	0.07060005	143.02737	3531	4114	4036	4293	267	500	2680	14723	0	0	0	4850	0	0	1212	7425	6770	589	1088	0	0	2731	1843	2649	615	0	1520	0	11487	14156	7068	15964	4516	0	763	22625	4626	1900	9052	0	0	1505	0	0	0	0	0	0	11422	13677	3965	3221	449	0	232	0	0	5672	0	0	8964	0	0	0	0	365	1068	7308	0	0	0	17349	28532	35126	8016	22147	0	3300	417	0	0	0	0	0	0	0	541	1061	1208	10505	0	0	9053	0	0	0	4667	4559	0	0	0	5358	3834	0	0	7973	0	0	1179	0	Peptide	0.2	1.2	0.4
6	C6 H10 O2 N2	143.0815	143.08171	0.102682844	143.08151	11189	11607	12501	11349	10244	8303	9310	16849	7266	3764	3718	10060	7053	8449	10466	30531	18763	13303	12532	1550	2336	17915	9672	28402	9337	749	8527	19492	12611	17099	21512	22410	14597	16456	3812	14465	15186	10126	24682	1717	1264	7291	2175	2451	2299	6179	0	2006	17528	17859	12249	10766	8092	2265	5653	4076	6226	32088	2242	2430	28451	0	9539	3983	6446	13882	10487	24642	0	2315	0	18888	25960	25706	15054	16896	1893	10482	8671	5803	8985	3696	2328	956	5952	6956	9736	6018	9470	42579	8327	2433	40232	1899	1434	2696	12540	6327	5536	5422	5601	16942	11685	2017	0	29777	7604	2255	10219	7890	Peptide	0.33333334	1.6666666	0.33333334
0	C6 H10 O2 N2	143.0815	143.08176	0.008536802	143.08151	4844	7071	5162	6006	12588	19912	6264	13892	21893	2335	2050	6404	33596	30028	6858	4502	21672	21499	18260	2550	6821	13589	8992	9269	15643	2222	1900	5684	36047	5041	20091	12786	56388	15520	6988	10465	13097	8133	24728	2837	3875	9016	2668	2655	4785	5518	2601	2734	10226	5328	8097	5664	18729	2936	28849	15352	12996	17994	2887	2919	6361	1771	48269	7030	9096	20509	31336	22743	2675	5402	2400	9834	16492	9124	0	11950	2599	8402	12441	9026	10405	4676	2863	1933	11228	15564	16401	16844	19519	29800	12423	7022	19704	1846	2337	2717	6144	6032	11502	10731	6649	8462	12104	3753	2592	20241	13803	2118	8570	52850	Peptide	0.33333334	1.6666666	0.33333334
4	C6 H10 O2 N2	143.0815	143.08173	0.050344475	143.08151	12541	17211	13855	13771	13135	10508	8119	15072	11498	6301	9152	8075	9645	14951	7079	25422	20267	22863	17610	2856	3550	25613	7482	25019	7128	1392	10879	19116	7813	10374	16529	22366	18760	15212	6042	11860	17676	7330	25987	2309	3094	10886	2799	2526	3117	7548	5948	2931	15095	10219	13117	10271	13370	2636	8701	5785	9323	33688	2481	4215	25502	1308	15194	7468	8227	18862	12279	22347	1882	3152	3766	13854	17358	11443	12931	18501	2220	7178	8168	9553	7997	4262	2852	2161	8047	10766	10526	19841	25197	21729	12812	6572	30498	2257	4062	3447	9866	9814	7794	7055	7433	12937	10026	6053	4249	24802	7800	2966	10617	16615	Peptide	0.33333334	1.6666666	0.33333334
26	C11 H10	143.08553	143.08571	0.117618784	143.08554	7402	10506	9876	7919	10855	5051	6638	10540	7338	3437	4414	9046	6797	7282	15839	15098	9563	6197	8107	4948	5233	11930	7008	9289	11159	0	7521	4816	10668	13127	12315	12562	14523	10248	6674	11932	12371	13445	15817	6596	4533	25446	0	0	0	0	0	0	14014	8479	9958	10500	7006	0	5728	0	8566	19189	5865	4863	16578	0	4066	4668	4956	7940	12313	14940	0	4044	3479	7543	10460	12136	7752	13944	0	10312	10366	7489	9535	7631	5296	3813	6597	0	15511	7494	8077	22836	12630	7996	21237	4514	4846	0	8233	8314	8351	9319	9384	14067	10806	5910	0	11613	7898	0	11017	4453	Phytochemical	0.0	0.90909094	0.0
22	C8 H14 O2	143.10666	143.10683	0.06863441	143.10666	39997	39441	32426	39022	36108	35810	185434	41972	31759	16445	18507	29991	29313	86683	47883	47999	69338	44740	40688	12818	7512	15659	30568	30355	45772	16899	149186	28549	50559	39573	35906	49097	49551	40195	14109	48844	44355	44645	76290	8998	12050	48334	31903	28444	21359	18636	12583	21814	58999	35992	40771	34152	33125	22146	32529	30645	54011	60893	18354	24996	48556	9426	29505	33537	93634	72923	100148	83805	13005	15068	13101	30581	23958	38233	53669	39631	20845	32815	35459	27790	27163	22075	83248	58269	48230	61870	52096	33714	47250	66509	42361	30347	33016	8838	10268	25384	28298	39320	40103	40597	41368	59441	36603	34782	20763	36920	32346	24930	45070	30554	Lipid	0.25	1.75	0.0
2	C7 H14 O1 N2	143.11789	143.11812	0.12648535	143.1179	11730	11902	9274	9612	1481	16509	0	1779	383	1542	14522	439	712	1414	1267	929	955	2221	1337	0	0	2186	918	2243	1313	0	0	96044	1785	1245	2036	1317	2599	1613	1406	1311	2110	1114	1332	0	0	0	0	0	0	396	0	0	2264	809	10823	9751	906	0	0	0	0	4637	0	0	1130	0	1362	311	0	1422	1271	982	0	366	0	1166	1319	923	340	1007	0	810	687	385786	0	0	0	0	427	601	847	1549	2839	2637	325419	200831	2748	86027	640	0	9295	9232	1672	509	408	1093	1424	421	0	2599	0	0	527	1366	Peptide	0.14285715	2.0	0.2857143
4	C7 H14 O1 N2	143.11789	143.11809	0.08732346	143.1179	957	1420	774	630	0	1009	0	0	0	0	0	0	0	0	0	0	0	0	419	0	0	0	0	410	278	0	0	7200	0	361	0	0	0	0	0	0	511	359	0	0	0	510	0	0	0	0	0	0	0	0	1116	893	0	0	239	0	307	359	0	0	0	0	0	197	0	332	0	0	0	0	0	296	0	0	0	294	0	0	436	57692	303	0	0	0	0	366	558	0	467	1056	57973	15265	501	9293	0	0	473	674	0	311	0	0	388	0	0	0	310	0	310	0	Peptide	0.14285715	2.0	0.2857143
0	C7 H14 O1 N2	143.11789	143.11813	-0.005392073	143.11789	4680	5678	5979	5020	9148	9814	2053	6771	10541	1199	6690	2475	12946	25241	2824	3368	7664	15598	13905	0	2783	8468	6602	4710	10220	893	0	44662	17744	1636	10858	4171	32692	5001	2984	3997	5350	4206	15446	1134	0	7129	3350	0	0	2359	0	555	4640	0	5100	4962	13461	0	12646	4829	12178	9431	1567	1260	4580	0	7744	4696	40558	12068	32890	6143	584	2974	0	2432	4102	0	0	4542	808	3466	6187	223237	5590	933	0	0	7366	7043	8928	11715	9582	11127	135593	46729	7778	32577	0	0	4873	4579	5675	5397	5546	2482	4689	0	0	10034	7879	0	6308	19634	Peptide	0.14285715	2.0	0.2857143
6	C7 H14 O1 N2	143.11789	143.1181	0.2178164	143.11792	2024	2606	1794	1333	640	1969	931	0	0	0	1433	713	0	0	749	4003	1534	0	0	0	0	0	665	2356	968	0	1468	30233	1206	1188	1218	947	1043	0	0	1143	0	599	3038	0	0	1113	0	0	0	0	0	0	1950	1198	2395	2618	657	0	0	0	396	2663	0	0	1986	0	0	0	0	698	0	3995	0	0	0	0	0	866	1996	0	0	905	633	203882	438	0	0	0	0	0	2150	609	0	2579	175644	35669	1413	11313	1508	0	2706	2620	0	0	0	0	828	0	0	1285	0	0	1112	0	Peptide	0.14285715	2.0	0.2857143
8	C7 H14 O1 N2	143.11789	143.11807	0.1820478	143.11792	3514	4562	3083	2115	0	1138	0	1176	0	0	0	683	0	1914	0	2900	2629	0	0	0	0	0	799	2129	847	0	946	7509	1885	976	1049	1839	0	0	0	1510	1473	0	3865	0	0	844	0	0	0	0	0	0	1768	828	1917	4794	562	0	0	0	0	2994	0	0	0	0	0	0	0	0	623	2801	0	0	0	0	0	0	2289	1440	0	583	0	97771	714	0	0	0	0	0	0	0	0	1770	111225	30152	0	16830	1057	0	2663	1471	932	0	0	1445	1007	0	0	1675	0	0	814	0	Peptide	0.14285715	2.0	0.2857143
10	C7 H14 O1 N2	143.11789	143.11806	0.09852166	143.1179	3003	2453	2707	2348	0	1452	1345	3627	0	0	2369	866	0	0	1928	3827	1330	0	0	0	0	0	0	0	2345	0	2949	11308	2254	1455	0	2214	2770	1825	0	1805	2638	1185	2413	0	0	1199	0	0	0	0	0	0	1747	1669	1755	1817	738	0	0	0	2577	3642	0	0	0	0	0	0	14711	4189	3071	3422	0	0	0	0	0	0	2205	1829	0	0	0	69081	955	735	0	0	1440	3583	1056	2063	0	1992	104122	18011	2620	4837	0	0	2433	0	0	795	1924	1408	1536	0	0	2716	1500	0	1733	0	Peptide	0.14285715	2.0	0.2857143
10	C5 H5 O2 N1 S1	144.01138	144.01157	0.19986148	144.0114	4987	5250	4323	4409	9406	19172	0	6787	6870	1290	0	1856	4782	30371	3224	12013	1900	6413	10744	0	0	4915	8108	4121	1149	0	1692	4543	5069	8352	11505	9073	2367	13602	1269	7340	1686	3341	2971	0	0	4949	0	0	494	0	0	715	3329	4816	6935	4987	6621	387	2609	1342	1443	21467	0	0	8682	0	11018	2976	2557	11260	10524	5130	0	0	0	12296	11916	8661	0	11936	0	1707	3752	0	1700	713	0	0	1959	1447	10663	2152	4009	14045	8999	4000	6177	0	0	550	7763	4207	1938	1971	1611	2560	1960	0	0	17110	1876	0	2133	11805	Peptide	0.4	1.0	0.2
16	C9 H5 O1 N1	144.04439	144.04454	0.08673331	144.0444	0	0	1600	0	2446	5035	0	0	0	16084	0	0	0	1760	0	0	0	0	0	0	0	0	1601	1615	2250	0	0	2403	0	0	0	0	0	0	21133	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1440	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9802	2679	0	0	3357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.11111111	0.5555556	0.11111111
2	C6 H9 O1 N1 S1	144.04776	144.04799	0.1530829	144.04779	11478	10772	9465	12910	8088	121138	3376	30070	8323	1410	0	1197	3434	40553	5188	25617	16755	23678	0	1729	759	2794	2972	15061	8392	0	1570	1637	41825	40801	65569	46049	0	32929	455	31488	30644	5959	22887	0	0	38775	0	0	0	2413	0	0	46647	26182	10374	12274	41613	0	492	614	5288	27242	0	0	20866	0	1774	614	6224	18044	59420	10716	0	6104	0	38832	59192	39334	3692	47777	0	1904	3533	0	3071	0	0	295	1441	10742	10085	36344	45372	9524	1057	0	5052	0	494	0	11039	12305	1696	1199	822	26911	1299	0	0	9376	1647	0	6285	6077	Peptide	0.16666667	1.5	0.16666667
4	C6 H9 O3 N1	144.06552	144.06575	0.108932555	144.06554	471733	459242	446545	430557	433804	1129341	129177	339216	312445	121552	737957	99504	1231753	570463	153910	336341	55702	535795	468904	161896	212214	414982	148032	386531	135963	155360	95548	178728	564665	220917	386201	394376	554860	404106	5800541	324030	433587	66484	63212	198979	72376	829993	365345	81031	115673	187286	49314	146919	461650	265719	514621	453580	331022	386222	337724	231685	140467	511732	90486	28708	313769	73157	1623419	289081	113943	455283	429123	56862	105677	191784	298609	331126	327831	361622	102485	267114	118158	279213	333570	142332	1701247	151121	121552	55801	190596	415538	96700	1038431	381838	169051	345768	347753	364048	325677	112465	193892	448247	494384	2208740	103241	393327	0	419343	216602	307942	438810	489200	161237	94447	441463	Peptide	0.5	1.5	0.16666667
4	C10 H9 N1	144.08078	144.08101	0.16243818	144.0808	4780	7308	6333	6360	5896	2312	947	3530	1807	2846	1817	2392	6224	2523	2522	6433	8011	3125	3702	2521	8358	1650	2714	4133	2139	740	1267	0	4295	0	5599	7002	21515	7698	13395	5158	11826	3000	7131	858	11404	8957	2635	303	261	1664	96092	388	7083	3702	6022	5155	8157	485	1024	472	1338	5962	0	1987	6702	0	5461	1542	2046	18363	3362	16466	926	2750	13366	3119	5291	3676	4759	6192	375	2393	730	0	1427	425	290	2396	1443	519	2309	13669	4401	13157	3324	1772	13028	1458	3781	523	4517	5298	1720	1362	1690	14822	2631	0	0	46756	512	347	1067	7207	Phytochemical	0.0	0.9	0.1
20	C7 H13 O2 N1	144.1019	144.10204	0.06331684	144.10191	0	2794	0	0	0	0	0	0	0	0	0	0	0	1692	0	0	1508	0	0	0	0	0	0	0	0	0	0	0	0	0	1364	0	0	0	0	0	0	0	0	0	0	0	2097	3266	2718	0	0	2627	0	0	0	1896	0	2432	0	17600	20861	0	0	0	0	0	0	0	268886	0	0	1549	0	0	0	0	0	0	0	0	2479	0	0	0	0	0	0	0	15439	167360	0	1323	0	1805	0	0	0	0	0	3209	1897	1820	3203	3381	24869	0	1368	0	0	0	16521	2885	0	2259	Peptide	0.2857143	1.8571428	0.14285715
14	C8 H17 O1 N1	144.13829	144.13847	0.22423527	144.13832	0	0	0	2696	4637	9261	0	3235	0	0	0	0	8143	16311	1172	2671	0	2926	3001	0	0	0	0	0	0	0	2006	0	2115	2995	3501	0	0	2083	0	2303	0	1825	1164	0	0	17365	0	3567	2758	1673	0	3837	3688	0	4210	2153	4601	3544	0	0	4706	4580	0	0	0	0	0	0	4726	24951	28804	2735	0	2135	0	2429	1926	1944	0	3012	2835	1284	0	0	968	0	1156	0	1510	0	0	18454	15686	0	0	0	0	0	0	3492	0	3724	0	0	2435	0	0	0	0	4133	0	4518	1236	0	Lipid	0.125	2.125	0.125
2	C9 H21 N1	144.17468	144.17493	0.21393895	144.17471	1572	1946	2279	2430	1442	0	12686	0	0	22982	10018	0	1076	8950	0	310	0	0	389	4679	1199	0	0	0	309	8150	7034	20304	0	589	0	591	1124	0	14444	0	0	0	0	1175	0	0	292	0	0	1013	2973	746	0	0	2007	1687	1040	533	0	296	679	0	0	0	5391	206	525	0	0	875	2271	0	0	370	2860	0	0	0	420	0	1001	0	397	0	297	0	2697	127238	0	577	0	0	340	0	29441	3344	1166	348	1213	543	2177	1908	503	0	375	848	0	1503	1491	0	508	452	486	0	Lipid	0.0	2.3333333	0.11111111
4	C9 H21 N1	144.17468	144.17487	0.1329702	144.1747	1732	2475	2072	1831	0	0	900	1318	0	0	0	1035	579	0	1409	1991	0	0	0	0	0	5310	28258	54235	942	0	2477	0	0	0	384	1808	1450	3000	0	0	593	1673	0	0	0	0	0	0	0	8965	0	0	0	0	1889	2638	0	0	0	0	257	2140	0	0	1037	0	4151	0	0	535	265	0	0	0	0	583	0	0	0	0	0	841	2208	6731	53352	2334	0	475	0	0	383	0	0	5500	3012	0	51528	1512	0	0	2529	2325	0	0	0	697	844	0	0	75005	0	0	1223	789	Lipid	0.0	2.3333333	0.11111111
4	C6 H8 O2 S1	145.03178	145.032	0.1383858	145.0318	3424	5648	4067	4994	1169	7495	0	9433	1237	0	1434	7860	384	1782	4654	11438	9267	4984	2705	0	0	6748	3309	3246	2697	0	4253	6149	7686	12651	14366	0	6451	8465	710	8507	4586	5259	10680	0	0	4365	0	0	0	0	0	0	12261	10514	4337	3296	2509	196	0	339	2690	23874	599	1381	11198	0	1279	1014	2518	1731	3451	5604	0	2091	0	12429	8414	14153	4436	10531	0	3407	1857	0	1437	1041	521	0	946	1598	3547	3989	5631	15592	1636	2195	13752	642	0	0	4978	4389	666	315	512	3282	5940	1889	0	7321	557	328	4063	1451	Organosulfur	0.33333334	1.3333334	0.0
20	C10 H8 O1	145.06479	145.06499	0.0851799	145.0648	17936	16895	13714	13383	14853	12227	13683	25064	13514	8862	8041	13671	15159	13734	19501	23090	17835	15131	17486	11680	10001	16054	16550	15501	13248	7748	12814	7222	19910	16908	15627	19522	20727	14376	14249	18503	22570	13250	15955	7903	8291	12570	3954	4012	3069	8965	7159	5052	23061	17099	14900	13347	13337	3734	14226	10649	13055	25509	9988	8302	19401	3513	14646	11027	7602	21058	18144	20327	5687	5770	13533	15839	15527	22525	17490	24960	4084	13806	11307	10655	13321	6483	10214	0	10939	7139	15584	12674	15798	16135	16241	12723	27174	4984	9538	4808	10623	14102	14357	15607	13551	22810	17969	12486	6425	12102	11176	4974	15716	13067	Phytochemical	0.1	0.8	0.0
18	C10 H8 O1	145.06479	145.06499	0.09316714	145.0648	16441	19638	19398	15928	18140	20688	20487	28454	18125	12638	13813	14886	21060	18904	22604	29588	24292	23806	23672	12602	7894	15285	25769	24838	22188	6433	17737	11584	30219	27251	19472	25867	33054	20735	17245	29722	30721	21380	28048	15958	10277	20727	5583	3468	4359	9859	7104	4883	26028	21810	22853	24315	20098	3833	24441	13048	17383	33222	16490	12539	26927	4969	13630	19885	14855	24640	29504	26312	5551	11186	8811	20827	18806	28788	26419	31654	4043	14200	17960	10996	18532	15451	8573	8402	34811	15085	25038	20461	26700	23097	22434	16812	26283	9023	15554	6060	17347	18266	19932	17753	18403	32477	18858	15073	4710	21149	11052	4271	20596	19254	Phytochemical	0.1	0.8	0.0
12	C9 H8 N2	145.07602	145.0762	0.2095178	145.07605	2028	2254	0	2534	0	0	6781	0	0	0	0	1822	0	0	3398	7062	3190	0	0	0	0	0	0	0	13137	0	8537	0	1979	2706	1269	2515	0	0	0	2440	3292	10017	6876	0	0	0	0	0	0	0	0	0	2129	1577	0	2119	0	0	0	0	1826	0	0	0	0	0	0	0	2692	0	0	4013	0	0	0	1302	1625	1112	24457	2095	0	1251	4484	0	5472	0	0	0	0	0	7500	0	0	9403	2717	0	0	0	0	0	0	0	0	0	0	4324	2452	0	0	2246	0	0	13506	0	Unclassified	0.0	0.8888889	0.22222222
4	C7 H12 O3	145.08592	145.08615	0.06845037	145.08594	24249	31693	25236	28065	30603	168077	25401	47206	13343	8254	7950	14860	44211	105455	18201	30322	17908	35636	28251	10692	7891	15685	14272	22474	15314	15611	28576	11384	59779	0	52871	40929	29881	45704	10272	36144	24291	14955	18029	6213	4718	37966	33569	4970	6213	11212	4622	6848	55940	34835	30737	20048	23699	9446	11632	15980	16132	56874	5095	5925	47470	4193	39100	11858	83134	51755	65130	16353	5806	13553	7544	63802	50440	60153	13269	47937	5030	22800	9994	11683	9242	9170	44088	102229	14337	13976	17999	21099	27882	18814	9277	9751	18205	4428	5045	10267	23711	26668	25789	22310	21604	24080	15044	8459	6200	32770	18797	6312	11593	32972	Lipid	0.42857143	1.7142857	0.0
0	C6 H12 O2 N2	145.09715	145.09738	0.023580644	145.09715	0	0	0	0	5421	0	0	3313	7211	0	0	0	9989	12448	0	0	1549	7159	4922	0	2840	3064	1893	0	5532	0	0	873	11615	0	5597	3252	25854	4246	2429	2978	3961	1964	2888	0	0	2287	2855	0	0	0	0	341	1737	0	0	0	4674	611	13759	3936	0	3216	993	556	0	0	17175	1420	2491	6315	11958	1515	0	0	0	2943	3323	2003	0	2077	343	1878	1903	2970	2172	613	0	0	2752	0	2681	2025	4177	2805	8377	3763	3200	0	0	444	0	0	3187	2286	2179	1833	1647	0	0	4728	5175	402	1260	16543	Peptide	0.33333334	2.0	0.33333334
20	C11 H12	145.10118	145.10135	0.032544512	145.10118	126581	149767	138644	112986	141434	108059	145961	146339	108527	85198	61203	101380	115812	124294	163363	199869	193737	118311	137439	107899	96552	130719	111527	124318	122928	60240	155078	73992	144915	136756	115929	158169	182685	122739	101108	142136	156238	118235	200970	70973	75903	126145	14756	8751	7858	82245	108437	10814	152043	115436	137316	132707	109311	10468	87963	101672	102436	209042	83369	106913	143916	45872	90794	88647	87326	119272	119065	217465	41592	58040	80299	105469	122378	162218	190075	158750	8478	89241	150427	123283	98038	62435	121187	68808	121353	98923	184880	124052	125822	346139	203694	147349	230659	90151	93978	12547	130796	129661	119451	145235	163742	176210	122941	116415	61660	144915	105532	8858	140369	99738	Phytochemical	0.0	1.0909091	0.0
24	C11 H12	145.10118	145.10135	0.04902124	145.10118	96848	109567	87880	96482	89990	62367	96616	124760	63331	44633	51277	79616	68939	86961	122350	181748	163167	76565	101915	68312	57581	98741	96413	100452	101604	45896	104624	63175	97699	115216	90763	122562	124160	89071	63773	127942	119061	93639	159208	56018	52763	91722	8415	4491	7900	59627	54671	7314	126906	109301	99983	98155	72953	6853	78514	63710	62038	173819	54496	55392	143482	33430	70662	62427	53807	90799	84577	158736	38904	49944	51552	70560	89991	114135	137418	124527	7774	75505	114442	87316	95858	59453	72159	54146	80757	68191	167207	74325	93989	347614	183122	133208	242741	60741	88955	7668	99818	109570	77918	81175	91282	138809	85390	85367	44672	125077	61753	6694	119087	59415	Phytochemical	0.0	1.0909091	0.0
22	C11 H12	145.10118	145.10135	0.043598805	145.10118	115639	145335	88390	111493	126579	83988	128740	143999	90498	65349	53926	89348	62807	93477	130950	184954	191934	113852	81072	82002	76059	134919	106411	114230	137566	55183	140308	62034	130633	129319	115008	138878	160741	119951	76183	138058	145020	121135	186489	61229	58064	106432	11166	6788	6992	58253	87889	7329	139224	133011	121153	116233	95950	10232	96394	84610	89668	203045	64684	76978	157843	38732	81484	77824	70471	105202	102348	189492	42099	59732	65621	84286	95279	138550	138581	152917	5795	80852	143928	109279	110602	68716	93056	67368	118155	95732	180260	105966	112870	401767	203897	175337	237515	81046	116317	8761	94119	122178	104387	130685	114477	176150	104567	102791	54019	140136	91746	7384	137559	83486	Phytochemical	0.0	1.0909091	0.0
18	C11 H12	145.10118	145.10136	0.049181618	145.10118	136445	161555	106268	105558	127733	95596	142187	150816	80113	93328	73878	89091	122209	103600	108243	189469	199353	127292	149012	123870	95599	128165	110521	121121	93506	58674	153495	73392	132436	137630	121538	162172	181742	130786	92872	144385	156829	104820	205656	73024	74351	98745	12188	5637	7557	61048	67856	9107	147902	111802	120697	144532	108621	8425	110548	96979	92784	203699	69778	84052	140067	53335	98140	84445	83774	122365	126350	206102	45207	58846	79799	92277	100867	154930	177364	159479	6324	79137	139176	106355	118235	75989	118405	86512	124633	113074	156797	115009	123867	284979	175261	145457	190000	65898	121061	10899	130045	121834	111709	141554	166338	164967	99669	112101	38691	125062	89572	6859	126612	82685	Phytochemical	0.0	1.0909091	0.0
2	C7 H16 O1 N2	145.13354	145.13376	0.05054794	145.13354	2051	2773	1815	2257	0	0	0	1143	0	0	0	0	0	0	381	427	0	2219	18799	0	0	725	1475	13459	1612	0	0	0	1154	0	691	11220	1183	15648	0	2905	569	378	591	0	0	4784	0	0	0	1902	0	0	1385	0	1671	1685	391	0	0	0	325	27786	0	0	665	0	0	833	0	745	20944	476	0	822	0	688	1119	0	0	0	0	0	980	0	2570	0	0	0	636	2677	1270	759	13131	0	1332	0	1975	0	0	0	1007	1231	0	0	0	626	362	0	0	3068	0	0	1408	0	Peptide	0.14285715	2.2857144	0.2857143
6	C9 H7 O1 N1	146.06004	146.06026	0.048130758	146.06004	234640	231805	210389	217171	124561	232479	65471	364421	60015	132972	280781	174212	84562	210337	242357	369161	156506	78370	134264	28440	17900	152527	307565	471816	188590	6219	107818	669097	346864	310203	396433	414996	200886	480674	34772	334980	155875	199129	396183	16791	17344	199292	7435	3292	2620	103231	21290	3839	394108	301111	219597	204643	116631	4620	54357	75465	81113	396803	4230	11096	308537	4571	68406	47307	107087	149607	189578	366603	11632	42348	19889	329935	196018	219718	85642	296472	2154	192768	228723	239858	216905	53810	11519	14809	48273	94300	504244	177300	200887	688497	512083	313916	423863	76078	54036	6966	183022	182153	156275	74810	84371	276802	192479	24982	8750	452039	67052	4060	230330	45386	Phytochemical	0.11111111	0.7777778	0.11111111
10	C9 H7 O1 N1	146.06004	146.06024	0.12467291	146.06006	15457	15461	12469	12031	21838	37309	12732	14378	7669	2709	7625	11303	24116	50840	14571	26032	34147	14770	19397	0	2544	8838	13551	24445	17440	1751	14962	16808	19683	14608	16210	16789	71436	19910	3372	14375	54061	10284	42086	1855	2341	11281	3899	2871	2489	5116	0	3226	23667	12606	12978	15634	26445	3069	6783	6160	7946	27628	2644	2132	20562	0	17571	5873	6346	34246	22459	39120	0	3676	2022	13021	13415	10042	12763	16449	2405	11233	12696	9584	14109	4017	2336	1199	10270	14270	18994	19895	20239	32501	22248	8246	27940	4602	3440	3972	14614	13989	10752	9619	7551	53845	16090	3052	0	20745	6939	2684	14895	10059	Phytochemical	0.11111111	0.7777778	0.11111111
2	C9 H7 O1 N1	146.06004	146.06029	0.10440856	146.06006	17128	20904	13357	18915	15483	24409	5541	21903	8668	4038	9108	11405	16507	20315	12064	14001	11828	16880	17640	5340	4367	26878	15890	26380	11427	1451	7106	14042	22452	14921	24594	25110	28952	22047	8842	16688	22163	9461	13861	3902	1720	17638	3692	2633	2698	8635	4565	3397	25025	15122	17404	19761	17376	2453	6723	5861	11234	40451	1936	2378	17359	1482	22508	7821	10991	30538	23553	15131	2013	5526	2324	21489	22193	15449	3548	19076	2393	9783	11679	17778	10788	4723	3077	1828	6847	8589	17717	24896	37949	24997	105081	60518	51475	6924	3846	4895	16923	16484	12446	7838	6345	19649	13205	6248	2310	32128	3390	2590	9257	14153	Phytochemical	0.11111111	0.7777778	0.11111111
4	C9 H7 O1 N1	146.06004	146.06029	0.13253161	146.06006	5328	6498	3756	4339	5025	5188	3364	4684	3260	1725	4965	3750	3717	5241	4496	6819	4951	4599	4965	2340	1855	6887	4243	6051	5540	1364	3485	10592	4610	4225	4554	4786	5903	5545	4388	3493	6291	5172	7188	2016	2293	4084	3749	2377	2750	3091	1796	3827	3685	4761	5969	4572	4270	3847	3205	2501	4208	8608	1388	2240	7711	1705	4057	3008	3310	4155	3806	5074	1983	1712	2223	4269	3742	3459	2389	4502	2265	5085	5316	18003	4939	3753	2617	2023	2622	4378	7611	5620	5465	10255	25125	29642	12537	5181	2651	5489	4635	4385	12004	4775	3405	5080	7447	3103	0	7108	2353	2999	4538	3450	Phytochemical	0.11111111	0.7777778	0.11111111
12	C9 H7 O1 N1	146.06004	146.06023	0.10678912	146.06006	40560	56146	55645	48933	40444	71858	8764	46541	6525	8656	15399	35170	31605	126761	19975	106919	12370	24126	45856	5550	3546	9644	21072	73967	12763	1289	18579	27716	40902	53035	39420	92609	39178	46385	9227	52137	30695	12961	15057	2357	0	25595	3152	3098	2278	6747	0	3715	132162	78478	56011	52768	49019	2661	7602	5072	7885	56994	0	0	87911	0	26242	12584	4290	65176	48632	13581	0	2651	1842	44599	38432	60606	64732	82959	2121	25300	7081	17454	6687	6900	3006	1344	4584	7148	14877	45924	33285	26806	76268	14326	35415	3559	14539	4314	48642	49958	6224	6373	6617	171957	32946	13375	0	31665	6380	3052	7464	19444	Phytochemical	0.11111111	0.7777778	0.11111111
14	C9 H7 O1 N1	146.06004	146.06024	0.16233453	146.06006	93155	81097	84962	90723	26037	20395	70060	35837	8412	469685	1423715	22881	7394	48438	23263	62605	54224	3867	10011	1739	0	14456	16197	61950	29930	1571	133463	2525683	24108	58659	78949	69603	22138	78266	205903	46721	18901	30919	53213	1522	3387	22051	5878	4859	3881	13112	6219	5194	53879	39029	83932	79248	37198	0	6179	10146	35673	49854	0	0	39664	1363	4303	5476	12535	32027	18331	67622	0	5833	4067	33545	79504	53751	37725	94464	4131	28136	33605	400095	50395	6198	5578	2923	8253	20537	44041	39686	47063	224125	372345	191232	66060	222068	102827	7563	108499	57239	24862	16545	14654	58158	34043	2707	0	57338	19854	5417	63671	3477	Phytochemical	0.11111111	0.7777778	0.11111111
0	C6 H11 O1 N1 S1	146.06342	146.0635	-0.66294223	146.06331	0	0	0	0	0	0	3107	0	615	7982	0	0	0	0	0	0	0	0	0	0	13598	0	0	0	23421	6025	0	27867	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	484	0	0	0	0	0	0	0	0	0	0	0	0	2539	0	0	0	0	0	0	0	0	0	0	0	2029	0	3467	6022	4835	4817	0	3285	1544	0	0	0	0	0	0	0	0	0	0	0	0	1885	0	0	0	0	0	0	2488	0	3949	0	Peptide	0.16666667	1.8333334	0.16666667
0	C6 H11 O3 N1	146.08118	146.08144	-0.0038046	146.08116	22290	24412	21429	17330	47173	79847	7577	47339	30904	8383	4150	12516	173661	85154	12011	6132	11512	84802	53435	10133	23151	31835	20356	27455	21349	2765	3335	6009	89533	14955	52232	38861	156243	88775	25495	31104	50832	12176	20860	10702	4289	27182	21215	3531	3800	17235	4118	3521	43590	15095	21067	20727	48870	9112	41265	19670	7095	57626	8095	5976	15531	2628	140656	24285	13700	93994	92353	13463	3520	11021	3857	89650	74552	26431	0	35336	3011	19567	11312	8621	9972	5876	6014	4272	12468	6749	13635	50627	47369	14508	47066	38480	37062	5542	3564	9014	18922	24451	12071	13604	9610	25560	15270	8944	4260	57647	13947	4414	9628	229887	Peptide	0.5	1.8333334	0.16666667
0	C5 H11 O2 N3	146.0924	146.09265	0.025507184	146.0924	2892	2878	2719	1952	14062	9090	0	8302	12891	0	0	1982	39964	12490	1837	2486	5324	11682	8861	0	5568	9948	8969	4014	18938	0	0	1300	35387	1656	13022	4903	51957	10700	20567	5542	6152	4148	16500	1085	0	2238	0	608	611	3796	0	756	5702	2079	2548	0	11572	2630	17704	6664	0	11656	1068	624	3552	0	23291	2536	1929	21905	19717	5327	333	6131	0	5331	7317	3204	0	5582	0	2910	3547	2527	3543	510	0	0	4621	0	7557	5328	7399	7575	2757	3230	10024	0	0	1210	0	0	5274	6170	6190	3362	4159	0	0	16576	5214	4415	2639	38556	Peptide	0.4	2.2	0.6
18	C7 H15 O2 N1	146.11755	146.11766	0.0907012	146.11757	0	0	0	0	1429	2966	0	0	0	0	1816	0	0	0	0	0	0	8163	0	0	0	0	0	1545	0	0	1058	55002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	562	491	678	0	0	523	0	0	0	0	0	536	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	511	0	0	5392	1091	0	0	0	0	0	0	0	0	0	40297	22464	0	0	0	1143	0	0	0	0	0	0	0	0	0	0	0	595	4885	0	Peptide	0.2857143	2.142857	0.14285715
14	C7 H15 O2 N1	146.11755	146.1177	0.154738	146.11758	2264	1582	0	3469	1121	2558	0	0	0	0	3162	0	1903	0	0	0	0	3774	0	0	0	0	0	0	3679	0	0	85114	0	0	1350	0	1482	0	0	0	1937	0	0	0	0	1021	0	395	617	0	0	388	0	0	1677	2101	0	686	0	0	0	0	0	0	0	0	0	0	0	0	0	1758	0	0	0	1352	1047	0	0	1260	612	0	2403	0	1196	0	0	0	0	0	1890	1446	0	0	101913	43519	0	0	0	803	2215	2457	1108	0	0	0	0	0	0	1587	0	494	8452	1864	Peptide	0.2857143	2.142857	0.14285715
10	C7 H15 O2 N1	146.11755	146.1177	0.09531214	146.11757	3703	6888	3710	4251	917	15158	0	0	0	0	0	0	1151	0	1598	9359	0	2095	0	0	0	0	960	0	1370	0	0	85219	0	1081	0	1620	0	0	0	0	0	896	0	0	0	1479	1362	681	688	0	0	692	1141	0	4272	4787	770	499	0	0	636	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1437	59286	0	0	0	0	0	1041	7540	0	0	0	588513	288376	0	8711	1965	811	5313	4356	0	0	0	0	1245	0	0	0	0	760	1011	0	Peptide	0.2857143	2.142857	0.14285715
16	C7 H15 O2 N1	146.11755	146.11769	0.10381442	146.11757	2220	2694	2961	2402	0	0	1147	0	0	0	2514	1443	0	0	1442	2398	0	2417	0	0	0	2198	3198	0	29685	0	1203	77209	0	0	0	0	0	0	0	0	0	1035	0	0	0	0	951	578	633	0	0	676	0	0	2351	2302	0	727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	506	0	18750	26065	0	1733	0	0	0	0	29460	0	0	74608	42045	24793	0	3886	0	937	2115	2256	0	0	0	0	2821	0	0	0	0	596	97055	0	Peptide	0.2857143	2.142857	0.14285715
6	C7 H15 O2 N1	146.11755	146.11777	0.1321354	146.11757	6794	8441	6219	8025	3251	12763	1398	2251	1047	1296	1643	1226	1138	3142	14683	7665	1407	5491	2104	0	675	1020	1325	1017	1542	0	2893	45293	7323	6184	16119	6501	2057	4088	2027	2923	2128	13360	2411	0	0	3000	1504	443	367	2194	0	468	21724	1797	7115	7960	1925	665	0	756	992	5017	0	0	5409	0	1548	0	919	2154	1688	1250	0	1464	0	4802	6386	4483	7871	8754	393	1304	1028	53938	683	1229	0	0	1421	2200	1527	1006	2178	1726	470752	277746	1472	6494	4093	670	7279	5551	742	448	877	1630	1501	0	0	2320	1449	412	1079	1136	Peptide	0.2857143	2.142857	0.14285715
20	C7 H15 O2 N1	146.11755	146.11766	0.16205025	146.11758	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1737	0	0	26462	0	0	0	0	0	0	0	0	0	0	0	0	0	0	859	0	667	0	0	0	0	0	1550	0	0	405	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1308	0	0	0	520	0	0	2200	1510	0	0	0	0	0	0	0	0	0	39440	18564	0	0	0	692	0	0	0	0	0	0	1546	0	0	0	0	0	2737	0	Peptide	0.2857143	2.142857	0.14285715
22	C7 H15 O2 N1	146.11755	146.11774	0.094644666	146.11757	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2047	1350	0	0	0	36464	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	800	0	0	0	0	0	0	0	0	630	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	673	0	0	1500	1170	0	0	0	0	0	0	0	0	0	23394	14152	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	2.142857	0.14285715
2	C7 H15 O2 N1	146.11755	146.1178	0.08987279	146.11757	111422	113141	107292	67472	70658	243492	3011	76363	16353	38286	5047	7498	199601	89587	8226	32261	7899	201549	107523	39710	30387	121527	23820	100911	57334	425	1905	38381	151140	55784	112683	120142	133759	109693	785536	84418	194401	8622	10983	25836	3243	174706	21713	750	2333	40946	2061	2684	107055	42941	112779	102001	55481	33537	15034	11987	4602	183069	1388	1821	31790	429	271744	0	4097	91895	104859	15314	0	31580	2983	122222	103465	65451	3137	73551	532	36954	11194	43174	19402	2640	2223	774	4194	3120	14823	72454	118155	39983	0	539873	174055	4661	8154	17474	100584	107478	23174	4974	4726	108863	16064	43419	1500	150673	2586	1432	9773	132469	Peptide	0.2857143	2.142857	0.14285715
4	C7 H15 O2 N1	146.11755	146.11778	0.13888836	146.11757	4587	6730	3978	5359	3767	12232	908	1296	2597	4559	5768	538	3345	5214	1066	3660	2313	7182	1833	0	1127	1442	686	1375	694	0	788	26705	941	1520	2153	4281	6694	889	4832	1276	1550	1168	2837	995	1033	4753	4077	768	560	1790	3625	607	7574	6760	5152	4908	2594	4850	1357	2342	2137	1959	0	11859	1857	0	7680	661	2472	14958	0	4145	0	0	0	1561	1176	688	1915	2540	611	763	904	13512	846	1163	443	465	1821	5093	1211	3995	1862	1940	199805	152959	2416	7795	13213	1325	5195	5146	4518	2928	4548	960	2350	0	0	1240	3012	658	1489	18519	Peptide	0.2857143	2.142857	0.14285715
12	C7 H15 O2 N1	146.11755	146.1177	0.2228937	146.11758	2450	5250	3901	5741	0	3902	0	0	0	0	10848	0	1189	915	1087	0	0	2668	0	0	0	0	1362	0	2422	0	0	152929	0	0	1233	1400	2179	1550	0	0	0	1503	0	0	0	0	1124	597	673	0	0	635	0	0	4104	5210	0	692	0	0	741	1894	0	0	0	0	0	0	0	1528	0	0	0	0	0	1380	0	1201	0	1052	418	1300	1246	41300	0	0	0	0	0	0	1609	0	0	0	230979	119253	0	6755	2356	803	4316	3204	1381	0	0	0	0	0	0	0	0	726	1906	1236	Peptide	0.2857143	2.142857	0.14285715
0	C6 H15 O1 N3	146.12878	146.12904	0.22844093	146.12881	0	0	0	0	3763	0	0	0	2215	0	0	0	8853	0	0	0	0	2210	0	0	0	2005	0	0	0	0	0	0	5428	0	0	0	6746	1525	0	0	0	0	905	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2303	1072	0	1785	0	0	0	0	2860	0	0	27810	3861	0	0	0	0	0	0	0	0	0	0	0	0	765	0	0	0	0	0	0	0	0	2062	1387	1565	0	2661	0	0	0	0	0	674	0	0	0	0	0	0	3221	666	0	0	10481	Unclassified	0.16666667	2.5	0.5
4	C8 H19 O1 N1	146.15395	146.15413	0.003662225	146.15395	3357	2421	3956	3194	0	0	515	26841	0	0	1756	3007	0	0	2388	8690	1853	0	0	0	0	0	9367	29902	3295	0	692	5967	5791	8759	16870	4644	4943	3530	0	4731	3947	2848	3084	0	0	0	0	0	0	5254	0	0	6911	9462	4123	2442	0	0	0	0	0	11481	0	0	11309	0	0	0	0	0	0	4500	0	0	0	12350	18632	26055	1326	9246	0	4284	4044	8943	20619	330	0	0	0	0	694	422	0	2210	21031	1372	57486	1052	0	0	3934	3613	0	0	0	2516	2835	0	0	40626	0	0	5197	0	Lipid	0.125	2.375	0.125
18	C9 H6 O2	147.04405	147.04425	0.069176055	147.04407	15247	19139	13044	16330	26488	25267	11458	14605	14033	6552	7960	10210	23889	30220	13701	15247	13043	25355	28397	8695	10227	16429	16903	18752	11637	7219	14821	8268	14227	11576	15134	18205	22157	13371	8168	12482	18809	11221	18495	6594	3856	14016	10791	9525	11380	7928	6635	11508	13353	11786	12424	16787	17828	8006	18134	14146	16432	16262	7972	6318	12601	5745	16402	10792	16311	23792	25363	16188	5444	5063	5548	14315	7539	14447	9021	15475	9182	8827	16605	7849	16363	11459	8704	4179	18871	17874	15519	19964	24497	16429	111755	35011	19407	5172	7182	14639	17222	15218	16515	20048	21294	16080	16193	8049	6378	14169	13481	10333	14124	21219	Phytochemical	0.22222222	0.6666667	0.0
16	C9 H6 O2	147.04405	147.04425	0.09569182	147.04407	27598	28579	18735	26233	35796	33126	19522	22242	24491	13849	21534	12746	35162	267596	30069	21630	17185	32846	40180	16142	11529	16656	28179	26138	24283	6013	17355	33426	21588	24379	24312	32279	27407	21744	16868	22220	21059	22405	16485	9081	7882	25074	16400	12794	15311	14751	7754	17691	22229	19676	29283	24958	31369	12257	24371	21356	23225	38860	9010	8645	23707	5616	35054	19710	67689	68329	77016	18003	3787	12380	7175	20735	22866	25189	11279	32901	12472	12297	20653	25991	21265	12480	11738	11286	25087	24442	27979	23840	33945	31630	270416	232395	0	11215	9180	19428	24899	21674	24383	24425	33116	27215	18687	9385	7829	18988	22371	15308	20918	27890	Phytochemical	0.22222222	0.6666667	0.0
0	C6 H10 O2 S1	147.04742	147.04752	-0.22412948	147.0474	0	0	0	0	0	38339	0	0	0	0	0	0	1863	0	0	0	0	2931	0	0	0	0	0	0	0	0	0	1595	667	0	0	0	1540	0	0	0	1584	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1393	0	1204	2210	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1712	Organosulfur	0.33333334	1.6666666	0.0
8	C6 H10 O2 S1	147.04742	147.0476	0.14834835	147.04745	0	1161	0	1738	892	81853	0	0	0	0	0	4894	0	0	1514	2379	4546	0	0	0	0	0	0	2827	0	0	625	3031	2598	950	803	0	2468	0	0	0	1756	963	3149	0	0	2782	0	0	0	0	0	0	0	0	1465	2198	27058	0	0	0	0	12071	0	0	10471	0	0	0	0	9331	5430	6366	0	0	0	795	0	0	0	813	0	2392	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1493	0	0	0	0	0	5984	0	0	1498	0	0	0	0	Organosulfur	0.33333334	1.6666666	0.0
8	C8 H6 O1 N2	147.05528	147.0555	0.053363837	147.0553	114395	104379	91942	111033	25563	58919	52195	190343	18751	39830	13714	69093	7962	47949	54662	366601	109149	95810	165470	4563	3224	72306	100965	153570	47843	408	68353	72269	256207	166089	180198	351068	0	326524	18624	252845	207771	75608	148682	3702	1342	104132	1731	1607	1350	23001	1361	1368	261459	125988	126660	127317	58687	2801	8269	3076	25039	411924	0	1569	325113	0	30226	16565	26053	56789	120729	123255	0	26244	4835	208531	326901	212318	174795	327252	965	79672	99375	25054	63712	4597	2466	1393	20477	16911	217694	103368	154043	206487	120901	57276	191553	9054	14526	2343	117219	90725	18087	4301	4237	160655	67462	2835	0	227150	5486	1515	119329	23834	Unclassified	0.125	0.75	0.25
8	C6 H10 O4	147.06519	147.0654	0.10516751	147.0652	10670	14594	7833	13698	17664	15840	12633	11250	14369	7650	17741	10539	15716	66709	12938	7622	4994	10010	12013	10276	6402	7001	12680	11092	18914	7685	11966	17627	12166	11139	11200	13940	9024	12330	11868	8423	8048	12802	6372	11170	13400	12276	29324	31137	30628	13614	15405	31354	12043	10017	14152	9922	13826	31851	18756	10477	14645	13611	22781	10298	18603	13763	32894	13688	32742	19050	17348	6150	10902	14972	14338	12843	9508	10836	2983	13128	24991	14447	10396	11357	9557	13698	12595	11087	13652	14999	8536	13779	15561	7243	11909	13593	12116	13633	6512	29003	12583	11991	16903	13903	9875	7990	12957	7463	179741	9095	10993	32889	9488	20441	Unclassified	0.6666667	1.6666666	0.0
0	C5 H10 O3 N2	147.07642	147.07664	-0.06259155	147.07642	1921	2664	1734	0	12753	29190	2797	11645	19439	0	0	6147	29963	32798	4359	0	16893	16108	14980	0	4490	8676	12653	0	11373	0	0	5808	25115	0	16675	3308	56911	8420	7408	4175	7740	7860	20131	0	0	4340	0	426	362	2110	0	1676	3865	0	1659	2229	13745	3161	22100	11833	4270	11559	1621	2568	0	0	50772	5158	9021	15982	33316	19619	617	1783	0	6163	8315	2796	0	6544	631	5478	11342	2979	15215	881	1408	0	8782	6418	16955	9474	12463	23930	0	4385	7456	0	0	573	0	0	8175	5351	6811	1711	9998	0	1023	14663	10846	689	8849	57700	Peptide	0.6	2.0	0.4
14	C10 H10 O1	147.08044	147.08064	0.026964417	147.08044	170599	187652	158751	184138	179723	377435	177860	179464	157202	89054	75931	126504	160267	608483	152913	198818	205979	197671	550250	148624	127871	136660	130732	188092	127301	75724	176712	88370	174383	191029	166175	224102	250183	163810	152467	186276	182662	127313	236578	132285	90124	149806	38753	32849	23265	211892	130502	41145	230287	141173	176239	170402	167828	25487	171832	121644	127840	289463	75627	91871	173111	59684	175976	139155	117377	188929	146973	211634	57140	151309	91866	137019	151272	196544	167120	223174	19916	122766	129658	87058	136572	101900	144413	122037	170665	107394	203314	150158	433753	223010	319789	119342	186145	63996	164245	44882	177420	177661	141090	202899	194379	164204	147174	146823	58489	214414	128620	32470	135570	142135	Phytochemical	0.1	1.0	0.0
16	C10 H10 O1	147.08044	147.08063	0.027682234	147.08044	129711	169662	130912	127638	142944	130830	165277	155327	124967	86393	77279	110752	147925	161660	154747	181315	195530	166851	190039	112326	99286	116229	135572	125325	128809	68582	148553	66272	155171	157524	155904	187416	213794	134720	111231	184266	181490	129674	214000	89200	75993	140802	35136	22758	23896	84096	67605	25449	197190	140368	135233	141298	145723	25531	135092	115283	110994	213652	77753	84326	138277	51023	138458	113890	93113	161966	150398	196086	57860	75699	84830	122739	149262	189411	176569	207245	19353	102582	143270	85415	113745	92950	141137	100093	148592	108305	177880	128195	173948	204183	140398	130297	155408	67300	91527	33164	143919	135708	129188	144605	190255	182839	115635	102612	45635	135613	119308	21075	139635	138565	Phytochemical	0.1	1.0	0.0
4	C9 H10 N2	147.09167	147.09189	-0.019704886	147.09167	14320	15301	17472	13032	4041	5519	12938	30916	1075	12202	10359	7824	1291	8638	12979	60144	20115	4565	3207	5669	7898	1782	30178	30373	18869	753	22822	11835	0	31921	26338	29596	15825	23289	3288	33995	16001	16067	22834	2213	741	7128	1406	1659	1683	6298	2902	1269	54207	32707	16647	10519	7099	1222	2006	999	4522	48597	487	985	62696	0	1848	1880	3122	4487	7513	26770	861	3626	0	50477	21024	38350	32982	37146	628	11800	14738	9544	36566	957	850	1697	1093	2775	19082	17675	11077	24923	15048	705	24211	2367	3118	1987	14078	15927	2872	734	835	16242	9081	1621	3257	38289	1547	1323	19478	1996	Unclassified	0.0	1.1111112	0.22222222
2	C9 H10 N2	147.09167	147.09192	0.07284518	147.09169	11081	11558	11600	11451	5486	0	7815	18046	2583	27694	16792	8126	1681	10302	8948	32061	24816	8221	11590	18599	21681	8888	7126	26631	13054	835	9288	39918	16179	15904	15675	21650	18946	15773	19838	15211	18629	7709	27623	9954	4963	7946	508	408	294	8357	9518	431	19837	10284	10483	11787	6305	385	2469	1292	3129	23879	434	1111	26341	3783	1648	2501	3623	3913	17567	25329	1050	4675	2552	13473	10742	10773	21614	14289	284	8417	10339	6927	8245	2006	1374	9141	2555	3136	10154	8279	9335	48770	33013	7155	34879	3637	3033	794	11235	10464	2129	1133	1268	23132	7305	8695	3192	26302	1629	765	12738	3496	Unclassified	0.0	1.1111112	0.22222222
8	C7 H14 O3	147.10158	147.10184	0.21145308	147.10161	6052	6730	5874	5898	678	0	0	0	0	37469	48357	0	0	0	0	0	0	0	0	0	31869	0	0	0	0	0	0	0	0	0	0	0	0	0	9308	0	0	0	0	0	5906	0	553	271	331	9617	12493	305	0	0	5784	6468	0	841	0	0	867	0	69062	960	0	72287	7768	0	0	5590	4201	0	0	0	0	1078	0	0	0	0	0	0	0	0	0	0	0	1659	0	0	0	952	0	0	0	11672	0	3954	1141	0	4177	6525	0	0	0	0	0	1772	567199	0	0	0	0	0	Lipid	0.42857143	2.0	0.0
12	C7 H14 O3	147.10158	147.10185	0.12592684	147.1016	4925	5472	5804	0	0	0	0	0	0	0	21196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6233	3766	0	295	0	0	5577	5372	399	0	0	6204	5777	0	771	0	0	0	0	69098	0	0	21321	0	0	0	0	0	0	0	0	0	0	0	0	0	0	214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	392	7320	2234	0	0	0	0	0	0	1102782	0	0	0	0	0	Lipid	0.42857143	2.0	0.0
6	C7 H14 O3	147.10158	147.10182	0.06103936	147.10158	2040	2242	2404	2359	0	0	0	0	0	17964	16402	0	0	1158	0	0	0	0	0	0	24483	0	0	0	0	0	0	3554	0	765	0	0	0	0	1971	0	0	0	0	5649	2175	0	1112	0	0	2311	3002	0	0	0	2360	1714	0	0	0	0	734	1015	20745	0	0	21218	816	0	510	3429	0	0	0	0	0	0	0	635	0	0	0	0	0	11329	0	0	0	0	968	0	0	0	0	0	0	8050	0	2516	0	0	2158	2285	0	0	0	0	0	0	256367	0	0	0	0	0	Lipid	0.42857143	2.0	0.0
14	C7 H14 O3	147.10158	147.10191	0.30799156	147.10162	0	0	0	0	0	0	0	0	0	2524	4843	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2284	0	0	0	352	0	0	0	0	0	0	0	0	0	330	0	0	0	0	13375	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	257	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	171195	0	0	334	0	0	Lipid	0.42857143	2.0	0.0
10	C7 H14 O3	147.10158	147.10179	0.09489148	147.10158	6341	7289	3923	3716	0	1005	0	0	0	11030	22930	0	0	1675	0	0	0	0	0	0	6248	0	0	0	0	0	0	5423	0	940	0	0	0	0	0	0	0	0	0	12622	8043	0	3601	823	514	8946	12177	644	0	0	4441	6756	0	1588	0	0	0	0	51936	3422	0	26421	0	0	918	1393	1493	0	0	0	0	0	0	0	0	0	0	0	0	6117	0	893	0	1893	0	593	0	0	0	0	7012	11274	0	3635	0	625	7022	5248	0	0	0	0	0	0	1042816	0	934	748	0	0	Lipid	0.42857143	2.0	0.0
0	C6 H14 O2 N2	147.11281	147.11305	0.090684064	147.11282	2212	1932	2403	0	11560	108277	0	4601	12360	0	0	0	45475	57491	0	0	1133	16262	5953	0	6491	6537	2053	0	2201	0	0	18743	25340	0	5026	2851	39528	2664	291359	0	3787	0	2315	2497	0	4837	4755	3670	1802	0	0	4530	1191	0	0	1523	4065	28209	15235	14902	0	3262	574	0	0	0	38395	3873	3068	9691	19576	1357	841	10851	0	1680	1441	0	0	0	1660	2850	2206	42902	3095	0	0	0	5684	0	3178	3549	4266	4687	29294	13175	4958	3005	0	6387	0	0	3802	8624	3995	3196	0	0	0	6282	13880	3071	0	46340	Peptide	0.33333334	2.3333333	0.33333334
14	C11 H14	147.11682	147.11702	0.051856317	147.11684	87087	104851	79985	87413	83774	65323	159143	85213	58321	62120	53040	66499	62348	124989	62270	107891	137448	79354	69119	81336	97214	69592	57530	71822	66442	90269	164974	58767	87255	88951	74834	121950	114558	84706	78975	97205	91221	59544	172687	59036	75117	73753	12344	5940	4369	47729	62683	8110	107988	74109	94989	85883	75377	7042	63987	74832	73860	129231	54269	80032	88101	32238	82249	60893	104880	83047	93807	148841	37206	66486	83732	71331	93905	108640	121065	118007	4221	50433	83268	62725	68035	66563	176638	302841	90653	50085	117785	57107	81763	218156	115107	79149	113941	47254	70197	9794	90449	80620	82953	119705	118219	91487	71273	86221	24197	84967	74943	6170	73735	54374	Phytochemical	0.0	1.2727273	0.0
20	C11 H14	147.11682	147.117	-0.012109044	147.11682	164100	212171	171515	149583	179321	147345	324511	188410	123928	140171	103361	132444	141437	240554	162784	245613	273046	163057	179214	138086	166763	164249	107532	146509	147099	119609	364811	141150	196005	186877	127153	201484	225678	167552	137887	180123	212704	136415	262058	94542	106396	144396	34522	10801	9040	96979	125828	11826	191882	148168	179664	175132	158129	17661	121913	132275	136509	245817	106096	144351	192962	54119	157472	117537	150033	179954	184904	284798	51692	75821	107628	128993	169132	207700	273910	214620	12184	112600	162444	236945	122120	95506	314322	276447	150307	130681	238506	149483	148338	433483	317661	226611	265933	112812	127102	14778	184141	192648	152880	174220	202145	211533	140466	174225	88528	169123	140187	10198	163507	138106	Phytochemical	0.0	1.2727273	0.0
24	C11 H14	147.11682	147.11699	-0.0131829	147.11682	168408	187899	144644	160906	153020	122031	336071	169016	99743	91655	97104	109616	115980	214301	142821	237121	280579	112717	150460	112299	108123	125339	117486	139496	144938	106665	318389	128632	154983	167931	136437	229475	193745	185714	111407	207303	164015	127546	300008	92706	91056	159115	22081	8281	12492	96211	95982	10931	191835	160327	159066	160352	120732	19130	122944	120428	175240	251938	89548	102778	205160	50582	123049	86353	232877	135165	171853	310731	61955	78394	100742	127339	131074	168607	215770	201769	11155	107877	153046	183655	123713	107266	181046	164312	175391	165296	234389	131076	156982	411116	385345	296876	255294	92005	125613	11842	158944	173290	137439	156322	365521	204811	116934	146978	79670	167628	205338	8807	165704	109918	Phytochemical	0.0	1.2727273	0.0
18	C11 H14	147.11682	147.117	-0.01072816	147.11682	160134	190145	142974	128121	138062	116971	287070	159968	86807	106258	102612	113774	147203	187789	130464	203389	252613	141181	163583	153236	129558	134756	110671	135065	109744	104919	306876	109734	154363	163609	137985	192130	202186	168287	105857	158594	175173	117481	276104	88802	106033	124464	23019	6564	7838	88975	99348	8219	175773	134875	168224	173289	133776	14099	126983	117661	111141	223181	84052	136778	173114	57972	137549	87739	140283	153343	177192	297321	56900	74664	93457	102249	123386	193623	240415	197359	7073	88736	155759	167871	103958	98309	259117	282477	133369	128393	175033	128681	145952	362804	247546	196783	212571	84730	139529	13780	158060	157558	124623	164645	187622	203246	108153	137362	46868	116182	106525	7348	134161	98262	Phytochemical	0.0	1.2727273	0.0
26	C11 H14	147.11682	147.117	-0.007577974	147.11682	99205	101216	93476	85765	76650	66798	179726	100127	57403	50899	62338	67463	55732	114250	119017	110757	118275	58531	95865	75290	58886	66595	53442	70438	83739	67768	190578	100488	98056	106524	89835	97552	104307	73378	82038	121341	102049	103883	150082	51910	57116	119048	10366	9705	0	54509	37679	11358	99716	97407	108549	100493	72490	0	62547	86209	153777	146851	46727	53216	109103	29549	61340	51633	174620	69366	101929	152011	50785	51373	50510	66663	75959	134728	107876	120609	0	61702	87351	100196	61483	61238	86738	72164	143286	238610	170907	125168	90144	203421	209241	200987	143111	52106	51942	10635	98106	102976	88658	167666	302986	122882	65105	79410	46560	78960	193297	9946	101879	44245	Phytochemical	0.0	1.2727273	0.0
16	C11 H14	147.11682	147.11702	0.016828787	147.11684	120419	139092	111400	119214	115232	87243	237387	118920	84579	74565	87744	90086	103078	157222	96514	166858	210809	110786	126448	119049	106901	108342	82151	91667	88528	105269	224030	68482	112717	131513	115524	164387	149472	104288	99685	148483	137687	90154	230920	80075	100074	99099	22155	7443	6987	71627	83184	8720	144980	121709	132290	131978	115838	11093	74438	98645	96555	179764	58210	119499	118312	40335	99165	79936	121014	112009	133705	201300	56556	79263	88183	98702	131442	159027	186940	164457	7650	71472	113420	122342	78280	86205	255492	365865	121110	77336	159746	99030	120601	277491	159868	147592	123029	73896	105588	11526	117636	115127	109593	134787	167933	152161	77465	101285	37764	115116	102471	6521	102849	87329	Phytochemical	0.0	1.2727273	0.0
22	C11 H14	147.11682	147.11699	-0.023598993	147.11682	188081	211884	137098	174216	166840	139879	420766	210293	133720	124372	104727	135517	95438	218137	190029	235771	268212	150369	125304	151146	136017	169657	152433	146878	200165	115135	391430	154620	205299	198516	156072	203057	221011	167264	122916	218624	202614	170115	281386	86272	99873	163118	30887	10110	11686	100071	127468	12389	200484	193941	177978	179336	141288	24541	140058	130138	147579	265647	103254	133283	210952	63101	132202	104664	181058	171657	194675	285099	64457	94508	110892	135731	137093	190583	212254	223819	12525	117521	189539	235975	136633	114972	266270	229861	161377	177598	269305	159931	157469	456173	396740	303507	266546	110820	144959	15842	155696	180022	156117	205094	196966	258863	147782	157659	101522	206682	164298	11314	190465	129389	Phytochemical	0.0	1.2727273	0.0
12	C5 H9 O4 N1	148.06044	148.0606	0.16222271	148.06046	0	3784	2537	1657	1633	1525	0	1219	1281	2412	3611	0	0	1241	1179	1743	0	0	1394	0	0	0	0	0	0	0	0	33137	1546	981	1994	1767	0	1498	0	954	0	0	0	0	0	3529	975	1928	2464	0	0	1907	1179	1695	1513	2273	1515	1982	0	0	949	0	0	0	0	0	1223	0	0	0	0	0	0	0	0	0	1614	1220	0	1284	1625	1296	0	16086	0	0	0	0	928	0	0	2426	2012	0	68463	29783	0	0	2187	2038	0	4821	0	0	0	1771	1104	0	0	0	0	2082	0	1855	Peptide	0.8	1.8	0.2
6	C5 H9 O4 N1	148.06044	148.06064	0.12643272	148.06046	1664	2646	1364	2606	1708	4998	710	1308	1047	0	3538	911	998	2324	1401	1556	1514	1215	1695	0	0	1516	1269	1626	775	643	476	10904	2409	1084	2128	1642	2259	2505	1499	1043	1459	712	2319	0	662	1473	1179	1478	1660	0	0	1306	2601	1311	3025	2704	1623	2136	918	1253	1193	1679	0	506	1773	0	1401	0	1040	2160	1445	1981	0	0	0	1744	1548	1641	0	1284	1239	1206	727	16915	1293	0	540	0	690	1286	1175	0	2471	1606	81391	24087	1155	3168	1612	1724	2701	2096	1688	1135	2094	1693	1217	0	0	1556	984	1262	572	1181	Peptide	0.8	1.8	0.2
14	C5 H9 O4 N1	148.06044	148.06052	0.036011912	148.06044	0	1482	0	0	1747	0	0	0	0	0	4463	0	0	0	0	0	0	1511	0	0	0	0	0	0	0	0	0	28697	1650	0	0	0	2041	0	0	0	0	0	0	0	0	1019	0	2030	2226	0	0	2463	0	0	0	0	0	2072	0	843	655	1693	0	0	0	0	0	0	888	0	0	0	0	0	0	1152	1236	0	0	1103	1800	0	0	0	0	0	0	0	0	0	0	0	2104	0	47404	17113	0	0	0	2279	0	0	968	0	0	0	0	0	0	0	0	2016	0	1564	Peptide	0.8	1.8	0.2
4	C5 H9 O4 N1	148.06044	148.06067	0.1043937	148.06046	2642	2717	2182	2440	2578	5132	1012	2837	1822	0	2323	826	2551	2607	946	1612	1855	2890	2580	0	1057	2342	1591	2491	1002	410	0	5736	2010	1409	2047	1394	3474	1990	1924	1620	2193	1276	3444	0	584	2761	1688	1586	2262	1445	0	2151	2489	1488	1958	2339	2088	2735	926	1526	1545	2937	588	846	2207	0	2276	986	1397	2822	1807	1996	0	0	0	1696	1600	1748	0	2045	1440	1388	1868	26953	1332	1048	837	471	0	1633	1837	2689	3462	2328	69478	18349	1776	4214	1212	2972	2835	3056	1612	1358	1405	1557	1631	919	0	2002	1114	2075	1053	2264	Peptide	0.8	1.8	0.2
16	C5 H9 O4 N1	148.06044	148.06047	0.102849275	148.06046	0	1727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36955	0	0	0	0	0	0	0	0	0	0	1584	0	0	0	1239	1895	2939	0	0	2287	0	0	0	0	0	2433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2156	0	0	0	0	0	0	0	0	0	0	0	0	0	40779	17803	0	0	0	2224	0	0	0	0	0	0	0	0	0	0	0	2380	0	0	Peptide	0.8	1.8	0.2
10	C5 H9 O4 N1	148.06044	148.06061	0.099491455	148.06046	2210	2717	1513	1996	1349	3163	1134	1400	0	0	3830	16137	1266	1371	1579	0	1591	1515	1253	0	0	0	2122	0	0	0	1336	17311	3526	3173	1627	5811	2177	4869	1496	4171	1182	1234	1979	0	0	2541	1599	2021	2295	0	0	1676	3833	2026	3472	2507	1020	2961	1446	0	1017	1673	0	0	0	0	1037	0	935	1667	1063	1970	0	0	0	2584	6274	9813	2646	5797	1966	7894	0	13948	1189	697	0	0	1107	1189	1155	1178	1413	1865	64300	19176	0	1424	1228	2208	2907	3646	0	1368	1492	1339	10787	0	0	1240	726	2114	0	1933	Peptide	0.8	1.8	0.2
8	C5 H9 O4 N1	148.06044	148.06062	0.15189645	148.06046	979	1464	1830	1342	1006	4596	1009	0	888	910	2050	1228	0	1597	930	1149	0	1384	2054	0	0	975	924	1869	1156	606	1616	8563	1127	1127	1372	1406	2197	1686	0	1786	1957	710	1308	0	0	2703	1088	1576	1903	0	0	1485	1786	1334	2294	1207	1661	1876	1074	625	1107	1714	0	0	0	0	1037	953	0	1401	748	3348	0	0	0	1812	2155	1769	0	1237	1573	1460	0	12491	644	526	0	744	1051	0	1334	1034	2781	2464	55328	21900	0	2748	0	1571	1182	1142	1402	595	0	1455	2097	0	0	1535	0	1332	667	1486	Peptide	0.8	1.8	0.2
12	C9 H9 O1 N1	148.07568	148.07588	0.06745984	148.0757	21186	26587	18231	23350	22959	12486	16122	8759	7176	6961	7370	5602	8762	18725	4532	50809	14115	9981	9750	3491	2018	6925	7015	17878	11219	1364	20503	8296	11362	22170	10462	36840	8609	19353	4896	14927	11659	7493	24164	2561	0	11941	4589	2113	1758	2248	0	2494	30890	14713	21011	20362	20477	2192	4866	3305	8152	25331	0	0	39589	0	6947	3570	4558	17050	18541	29045	0	0	1548	11218	17722	21689	31272	22793	1607	7199	6792	20771	6445	4412	2445	2542	5424	6969	12654	11688	10151	21256	175613	25869	14442	3190	9903	2774	20790	20787	13831	3985	4404	31694	7473	5743	0	15284	13498	2154	12600	8513	Phytochemical	0.11111111	1.0	0.11111111
14	C9 H9 O1 N1	148.07568	148.07588	0.109308735	148.07571	9027	10377	11201	10432	9800	12736	5420	9703	3031	5187	11865	14781	4982	20050	6350	12126	11157	5823	8611	2078	1577	6706	13127	11887	7561	0	7748	44693	8035	9547	10830	18314	36931	22465	1990	11054	23720	5900	10357	1409	0	6196	2736	1924	1492	1767	0	2116	15833	7007	12492	6296	8471	1306	4311	3430	8731	15695	0	0	0	0	3043	2238	5611	16889	9907	16972	0	0	0	12811	19347	11641	9250	19026	1539	7336	7058	15378	4004	4845	2294	1756	2228	0	19977	24293	13469	52562	28598	15963	22096	3140	4873	1881	9057	7483	5504	4052	3770	47631	10435	4218	0	18100	4479	2174	10764	3360	Phytochemical	0.11111111	1.0	0.11111111
4	C8 H9 N3	148.08693	148.08713	0.062133096	148.08693	1646	1816	1434	1141	0	0	0	0	0	0	0	526	0	0	4319	3552	831	0	0	0	0	0	1668	733	22535	0	1660	0	0	0	404	0	1283	0	0	0	2432	3331	0	0	497	0	0	0	0	0	0	0	0	0	685	1204	0	0	0	0	320	7750	0	0	3907	0	0	0	0	0	0	1370	0	0	0	0	0	0	0	0	0	507	23235	0	6234	0	0	273	0	312	24798	1163	432	14019	0	0	13672	0	0	0	1427	1127	0	0	0	1957	0	0	0	6673	0	0	13117	0	Unclassified	0.0	1.125	0.375
14	C8 H9 N3	148.08693	148.08707	-0.010756396	148.08693	2811	3129	2396	4627	46744	14666	2413	0	2399	0	0	0	18210	255744	0	0	4266	0	0	0	0	0	0	0	0	0	2046	0	1543	0	0	0	0	2717	0	0	0	0	2571	0	0	22677	0	0	0	0	0	0	3089	0	2143	4194	30452	0	0	22073	12097	0	0	0	0	0	0	0	1300	25159	27861	5243	0	0	0	0	0	0	1297	0	0	0	0	0	0	10584	2604	0	0	0	0	5082	4423	0	0	0	0	0	0	0	2835	2901	6306	8876	11573	0	0	3584	0	0	11065	0	0	2110	Unclassified	0.0	1.125	0.375
0	C6 H13 O3 N1	148.09682	148.09706	-0.11322163	148.0968	21774	22448	22356	18800	150060	63722	3107	66243	24153	3169	0	10784	99351	129578	9227	4046	6740	65578	54269	5943	13319	38883	20087	36598	26019	981	0	1757	143176	17441	64416	49063	119615	75290	15724	38743	37854	9159	17269	8002	0	20658	10695	2438	1669	15014	0	2108	65474	19511	21514	18681	93198	4282	37495	14836	3693	63839	6197	2865	14835	918	85702	17238	13105	66805	100737	12957	1295	9621	2870	65820	64261	53658	0	62144	2499	13748	19561	3964	13614	2182	1893	0	7478	3501	25742	27411	45735	61158	32130	23809	55015	1854	0	3335	19919	16614	9069	8038	6147	24126	7644	6357	2159	72488	13067	2016	10891	128428	Peptide	0.5	2.1666667	0.16666667
2	C10 H13 N1	148.11208	148.11232	0.102450915	148.11209	10321	13937	9871	11794	4326	0	8945	27511	2136	11672	8094	6654	2665	6214	10183	73088	10485	4765	6622	5994	6031	25427	8111	22987	29180	2087	9526	17542	7650	7022	7373	9061	10685	6942	6397	8599	10247	6910	10125	2481	2828	6385	3848	1017	999	5272	7535	1277	11135	23726	11612	12156	5230	0	2129	1135	3097	49202	856	1241	50746	1231	2170	2127	3799	4984	11466	11798	1031	4031	2480	8334	6597	8329	17063	6683	1072	10142	27841	5746	6610	2805	1186	9432	1852	2309	51217	6498	7732	116284	17754	4081	118881	1870	6451	2409	11718	13565	2024	1397	1734	10639	6491	4362	3025	38123	1755	1566	12613	2996	Phytochemical	0.0	1.3	0.1
0	C10 H13 N1	148.11208	148.1123	-0.20867664	148.11205	8530	9662	8984	8853	6705	0	5232	11116	3480	5401	4938	4453	2808	7378	8527	13891	22299	11191	13991	1785	2824	16306	7304	23319	6540	794	4254	6292	9664	5936	9197	9109	11694	9110	4833	8682	10053	7098	25844	0	0	1135	0	847	654	2425	0	652	10646	8348	8678	7246	5321	758	3312	1313	1780	26064	613	780	29280	712	2950	3165	3210	4647	6648	19868	970	1728	0	10460	11750	12004	7489	12007	739	4501	33787	4126	5037	1741	0	0	2249	3280	57613	6307	5571	52470	9129	6268	58783	1886	0	477	7650	10280	2956	1566	1560	9509	2794	0	1251	40728	4538	906	22323	5135	Phytochemical	0.0	1.3	0.1
0	C7 H17 O2 N1	148.13321	148.13348	0.032374755	148.13321	0	0	0	0	19380	11298	0	2450	894	0	0	0	47098	0	0	0	0	17726	4967	0	4208	0	0	0	0	0	0	0	7132	0	3599	0	13372	2641	1564	0	1290	0	0	0	0	2059	0	0	0	0	0	0	0	0	0	0	13396	463	2223	383	1452	0	0	0	0	0	30657	3335	0	25885	11205	0	0	0	0	2264	0	0	0	0	0	0	0	0	0	0	0	0	638	0	0	1547	3988	0	0	0	0	0	0	0	0	0	572	415	0	0	0	0	0	2690	1557	0	0	47342	Peptide	0.2857143	2.4285715	0.14285715
20	C8 H4 O3	149.02332	149.0235	0.014511484	149.02332	734816	753043	708606	554581	543683	159538	91242	295811	44764	543103	599841	131007	470240	324144	118115	188409	1559926	372259	97926	258974	1063559	716835	69124	456379	53109	106528	142649	783729	208192	307333	522847	400622	1521873	221922	800026	513324	1072016	63308	1207238	111822	1752369	645617	271405	218598	214918	169896	13413724	270722	271855	316377	729752	768709	561567	787637	35277	109059	416884	243818	99989	1461113	206897	109389	433078	478314	407152	869451	212986	1873139	109997	150747	1750268	225590	211184	316053	147322	443920	388641	120032	48253	238727	57572	396040	78604	78376	222920	420982	44625	678645	143904	1078864	145207	1077118	1406941	99487	169263	254156	718912	731926	173023	178846	456281	1221501	128055	171553	301107	9765014	487970	220351	63479	319136	Phytochemical	0.375	0.5	0.0
12	C8 H4 O3	149.02332	149.02353	0.11165753	149.02333	219214	249354	223114	192086	107830	162696	69098	77007	65047	238046	711019	54670	54095	167973	52987	109736	110682	66702	81016	61837	37164	108927	44554	83933	52827	24327	153809	2545895	110469	106525	100088	196837	130925	159268	119279	104857	162891	57518	111516	42703	81913	130062	81387	87720	88515	55631	29703	125364	151049	104554	232363	260057	112465	143247	40608	31712	105967	138556	28129	63375	113507	22688	349752	144059	107921	179695	162138	110736	23806	45597	42431	120732	139964	135789	99144	191695	64574	54163	42147	1046500	50912	90661	38812	41817	52773	106032	63497	117222	158196	201177	1181054	1225656	293981	238025	351944	154066	218053	184022	75351	34588	44554	199639	68250	166717	28411	300514	46428	110459	45033	75215	Phytochemical	0.375	0.5	0.0
2	C5 H8 O3 S1	149.02669	149.02686	-0.57685345	149.02661	2667	0	0	2648	0	0	34248	2636	736	0	0	1329	0	386	537	1207	1700	0	1256	0	0	0	0	0	33181	56766	13400	0	714	1535	2166	621	707	0	0	581	0	867	2721	0	0	0	0	0	1362	475	0	3542	0	1307	0	2952	804	0	640	574	902	8554	0	0	325	0	0	0	0	0	1563	1656	755	575	0	0	528	3746	1752	1492	2826	749	22468	11062	29564	0	0	39147	39150	41084	19084	0	0	0	0	0	1157	555	610	1466	0	0	784	36351	38024	713	1049	313	1004	0	0	10149	0	0	Organosulfur	0.6	1.6	0.0
0	C6 H12 O2 S1	149.06308	149.06328	-0.020549286	149.06308	82471	66934	72179	59665	0	6896292	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1343	0	0	0	7867	24683	0	0	2615	0	0	0	0	9295	0	0	0	0	0	0	2067	0	60956	59603	0	0	0	0	0	0	0	0	0	0	0	0	0	1482	0	0	0	0	0	39553	16546	0	0	0	0	1258	0	0	0	0	0	0	0	0	0	4943	0	0	0	0	0	0	0	0	76159	56493	0	0	0	0	0	0	0	0	0	0	0	1029	Organosulfur	0.33333334	2.0	0.0
0	C8 H8 O1 N2	149.07094	149.0712	-0.009734145	149.07094	1724	1659	1981	2439	1579	0	1488	3272	1252	0	1461	0	1802	0	1542	11938	1608	3180	1502	0	1366	3008	1524	0	2585	0	20708	1952	3120	1911	2399	2455	4815	3321	1192	2572	2455	1616	1632	1038	0	1403	0	707	574	1271	0	615	3238	1749	2162	2259	3091	602	1328	1197	0	5304	461	602	11581	0	0	1502	1938	1352	2600	3028	513	0	0	1790	4219	2654	25069	3196	455	0	3235	785	2329	1134	0	0	889	1218	3010	3274	2478	3224	23699	25120	5474	1432	1679	620	0	2028	942	1326	1297	2221	0	0	923	1745	1318	713	2556	3034	Peptide	0.125	1.0	0.25
2	C8 H8 O1 N2	149.07094	149.0712	0.16515893	149.07097	11447	17394	11949	10923	4028	0	27305	20745	2582	2106	3622	15093	3499	4279	14943	2456	27980	5189	3795	3754	2737	4080	8971	10502	14744	704	2735	1828	46688	26913	46677	27770	26403	27735	2896	22737	20447	20193	33679	2266	927	13168	527	536	550	3089	1805	720	49664	16022	12737	12978	7076	705	2441	1422	5963	35023	711	1476	14691	746	3033	2656	5798	5680	10567	26276	896	4208	1289	26922	24537	17113	5817	39745	648	11705	9201	0	9050	1176	2044	1379	1711	4098	13354	11309	10661	12307	8981	6611	12486	663	973	1084	9710	12554	3382	2184	2775	16464	17142	3233	1330	21236	2728	781	14873	2117	Peptide	0.125	1.0	0.25
4	C6 H12 O4	149.08084	149.08112	0.13399127	149.08086	0	0	0	0	303	0	399	0	0	0	3629	285	750	580	0	0	0	286	0	0	0	0	0	0	283	571	0	9641	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1956	1629	1429	0	0	1428	0	0	0	0	0	1630	281	283	334	0	453	0	0	0	398	0	0	299	517	0	0	0	0	0	0	0	0	0	1841	197	0	26776	271	667	260	301	436	418	0	0	0	0	0	0	0	6218	0	1541	0	0	0	0	0	0	0	0	0	0	299	1688	0	0	Unclassified	0.6666667	2.0	0.0
6	C6 H12 O4	149.08084	149.08107	0.15729733	149.08086	793	1647	2177	2489	878	660	836	0	590	8763	11859	588	3560	2293	552	0	1639	744	790	0	35134	0	0	0	0	0	757	2912	0	784	0	0	0	0	2300	694	0	566	1312	30708	20529	1208	3388	3638	2879	0	2403	3109	0	631	2391	2284	1082	3594	2092	858	4138	0	29053	1450	0	85058	1698	2210	6956	12850	8705	1388	0	0	0	0	0	0	0	0	3121	571	0	0	559	1522	1002	0	1223	4735	0	1206	993	0	0	1610	0	1469	0	2901	1850	0	778	459	2099	0	928	0	161126	0	1081	3273	563	0	Unclassified	0.6666667	2.0	0.0
18	C10 H12 O1	149.09608	149.09627	0.02565851	149.0961	277180	303089	259608	232847	260282	263102	427411	335021	185478	118876	143565	228497	267096	336483	357974	389381	402530	303635	310795	180295	162513	216144	262307	251697	244490	153867	419415	153205	345361	331462	301861	363347	403886	289964	135538	337531	351282	283878	437807	128066	142296	303538	78385	66667	88159	134985	125681	73915	385708	255194	278867	277455	265753	78857	262027	208677	222565	447468	139737	154973	308660	88997	261655	225622	244755	305386	310597	470268	110840	118894	162928	230257	225597	352413	369023	367172	46356	199415	298238	219838	229312	157788	294983	247390	255571	257293	368470	258250	289865	449441	291913	267450	419245	106933	140427	91589	265280	250737	230220	272374	304515	415641	234195	203736	91786	281878	172269	70077	288756	224662	Phytochemical	0.1	1.2	0.0
16	C10 H12 O1	149.09608	149.09628	0.040975697	149.0961	272160	305172	278159	252020	294863	266983	477338	292547	222162	139798	149231	231479	280278	435827	302817	380735	462357	344106	355157	197576	186517	225699	255985	234747	265160	167981	450176	136310	319657	311002	314287	368254	416832	287132	174921	369636	379189	245064	503648	142615	151250	279163	71023	52563	42189	153942	152376	57619	395828	273974	295411	292310	282607	51020	247791	218237	238501	456423	134181	182710	290402	81886	291486	214991	266951	366416	361751	425717	103556	137119	141845	242992	316023	367420	399243	373039	48170	188283	281307	232000	228013	184327	397857	426502	284687	236226	400132	284634	322376	505315	286776	231899	425849	125194	163383	63597	289131	299718	263512	276994	373940	415618	211656	189124	87668	303241	243920	47571	287975	279286	Phytochemical	0.1	1.2	0.0
8	C7 H16 O3	149.11722	149.11742	0.14550304	149.11725	2627	2809	1801	1285	3412	657	2181	1140	0	0	0	0	1672	8333	910	0	3311	1009	0	0	2042	61318	0	0	0	1355	1744	0	0	0	761	1804	2475	845	2394	1172	1682	0	0	1253	1380	6191	568	0	0	4843	6736	0	1282	0	0	1375	1968	781	1155	1564	7101	0	0	1828	0	0	912	12645	7773	16215	10419	2183	0	1577	0	767	0	0	0	1098	0	600	0	2927	0	852	0	5029	20177	38041	0	3285	2297	0	0	0	1854	0	0	516	3094	4084	1362	1333	7378	1412	0	30585	0	5944	15696	0	0	0	Lipid	0.42857143	2.2857144	0.0
26	C11 H16	149.13248	149.13268	0.048437003	149.13248	76611	84802	73987	73175	57599	38570	503997	69291	48404	34004	70488	50944	36963	181732	59202	84661	90094	43838	56404	42786	45164	62265	44134	51238	61294	105866	528803	131373	66730	75067	46367	83007	74128	47312	44548	78785	56011	81608	117678	45119	67067	67127	21735	18129	19509	42005	42727	16285	62966	62351	80356	76066	53162	19444	47338	67905	76072	108967	47556	75257	110787	40294	80783	38887	168596	50634	82954	119048	70686	56049	61381	36496	46510	74394	65784	76061	20187	44883	79006	136196	56730	83882	142292	140099	62295	56785	149325	50062	55601	231640	150287	101830	116286	49233	57143	18562	79136	89361	89525	71789	82529	78795	50623	78071	56421	55231	61346	18882	86096	37820	Lipid	0.0	1.4545455	0.0
20	C11 H16	149.13248	149.13266	0.060576998	149.13249	79710	91061	80125	80656	61124	52105	402724	59795	38288	54371	66555	47842	46255	671025	56811	81195	119349	48363	53741	52547	56349	60900	43134	48776	45545	111520	455397	84754	56929	56214	39732	64768	69248	53349	53350	60966	55443	53218	109979	34221	66335	64451	64160	17301	17007	39524	67816	23493	67156	45891	86890	87388	48676	22787	34504	66811	74353	81332	40427	90374	81805	28746	289974	31768	293526	80595	132283	116646	40101	43081	68267	42002	51919	70433	113969	62566	24338	31970	54763	161036	42719	52576	293144	410293	53021	51172	97848	60483	56608	199217	168412	111321	82219	52447	56883	26707	75442	81412	70237	54831	76244	61107	46107	64985	54807	55101	45930	19525	57085	73197	Lipid	0.0	1.4545455	0.0
18	C11 H16	149.13248	149.13266	0.05993109	149.13249	57720	62317	50879	39319	36873	33095	439808	43221	19196	32449	44972	33055	30941	180093	32813	54025	85012	34076	41128	41628	37252	38729	25790	28394	28710	108176	451947	53997	41162	36967	33481	48914	44196	37401	26589	46392	39068	35305	95369	28392	50969	43564	38208	7216	6594	24902	38129	7958	53091	37056	58094	58632	38710	11036	25513	42368	44352	58423	23570	61493	53531	20712	62613	22987	124093	44952	80228	96734	31577	26883	40101	27440	37869	49352	81093	53097	12178	21331	35859	82960	26670	48326	238884	669007	40930	38123	57141	38238	45497	130865	94663	67999	52469	27682	46304	12778	54960	52554	52578	46484	49512	53268	24640	47488	19637	33951	28848	6955	37423	27934	Lipid	0.0	1.4545455	0.0
22	C11 H16	149.13248	149.13264	0.028290195	149.13248	127174	146130	114108	129377	93442	126521	1007761	97650	57371	91718	94726	71699	56967	685342	103639	107557	171749	76584	83791	86673	77313	89053	66854	70344	83525	210634	969663	170510	98203	91973	65214	92609	94982	74636	73989	108839	82934	88672	170998	48897	92972	139272	58141	21608	19702	65658	111226	21146	93562	90523	139095	134235	80206	33838	62401	146161	212179	139831	62252	124347	146052	48589	177750	49853	400679	110390	235289	185933	65137	76608	85692	52436	61535	87310	106453	106348	30090	47934	91888	275268	70592	124647	423582	623118	77695	83324	143356	90548	113256	300005	397898	230368	143510	74297	98567	30282	106423	147277	225755	81399	74800	100915	66584	110362	81945	78718	73509	17352	102473	81163	Lipid	0.0	1.4545455	0.0
0	C5 H11 O2 N1 S1	150.05832	150.05853	-0.22879502	150.05829	9885	7714	7014	7380	15102	0	0	1318	1407	0	0	0	12273	0	0	0	0	17452	2867	0	965	3941	0	6328	0	0	0	788	2918	0	2080	6596	7508	20353	8568	0	35492	0	622	0	0	2336	0	0	0	0	0	0	8713	0	6232	6786	3473	347	318	870	0	7063	579	1207	0	0	7185	0	0	13668	2378	1212	0	0	0	17238	25412	0	0	2758	0	2128	0	1063	0	0	0	0	652	0	0	22157	5459	0	28698	39945	3246	0	0	0	6773	8226	489	578	0	6779	0	4510	899	6521	494	0	0	13534	Peptide	0.4	2.2	0.2
2	C5 H11 O4 N1	150.07608	150.07637	0.24479976	150.07613	1213	1953	796	0	0	0	0	586	292	307	0	0	12671	528	554	0	0	8929	581	0	0	0	814	1146	0	0	0	0	1673	0	492	0	570	731	0	843	0	302	0	0	0	0	505	0	0	339	0	0	0	663	1095	1117	509	0	472	0	0	0	0	0	0	0	799	319	0	12291	0	0	0	0	0	1433	801	1312	0	479	0	0	0	0	259	0	0	0	0	277	0	1090	0	0	0	28838	926	0	0	0	1074	1439	0	0	247	0	0	0	0	0	0	0	0	2524	Peptide	0.8	2.2	0.2
0	C5 H11 O4 N1	150.07608	150.07635	-0.020478768	150.07608	1647	0	2440	0	12469	15901	1451	15257	4582	0	0	4382	31986	21089	4954	0	5877	26691	10727	0	7854	4079	10050	3580	4586	0	0	5172	33079	2690	12382	3536	36010	8733	2268	9802	4965	2305	3900	0	0	4368	0	0	0	3192	0	0	3938	2956	1594	0	11348	503	10090	5622	0	7797	1022	0	1621	0	33197	4295	2266	11869	20089	1982	0	3703	0	10278	12277	10376	0	6361	0	5810	1653	11245	1162	869	0	0	2280	3162	1378	5793	9972	0	23438	14344	5813	2076	0	0	0	2810	1650	1883	0	2555	4489	0	0	10304	3496	0	1421	39128	Peptide	0.8	2.2	0.2
0	C6 H7 N5	150.07742	150.07767	-0.13870938	150.07741	6972	8158	7130	7566	8578	18644	3217	15527	4907	3038	0	2125	4597	11549	1705	16521	1564	11129	7371	0	831	4876	2144	18800	8559	0	3840	9319	24730	7434	14240	16134	13109	13085	1631	12143	12459	1830	2850	0	0	3413	0	0	0	4141	0	0	19269	10356	7466	6734	8332	0	1806	2002	3127	20385	0	0	12705	0	3385	1549	5765	6894	9419	3108	0	1624	0	12991	32334	16192	8167	10449	0	2562	4376	1097	4261	0	0	0	3421	6786	6441	7704	9756	5351	9492	10358	9637	0	2709	0	8666	7285	4486	3306	3295	7549	0	0	0	7989	4135	0	6485	5926	Unclassified	0.0	1.1666666	0.8333333
8	C7 H12 O1 N1 Na1	150.08893	150.08913	-0.09840084	150.08891	0	0	0	0	0	0	0	1024	0	0	0	0	0	1647	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2262	0	1648	0	0	0	1215	0	0	0	0	0	0	0	0	0	5167	0	0	0	0	0	0	0	0	0	0	0	1664	0	0	0	0	0	0	0	0	0	0	0	4276	0	0	0	2158	32085	2461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.14285715	1.7142857	0.14285715
2	C8 H11 N3	150.10257	150.10281	0.09552673	150.10258	1347	1607	1072	888	3818	0	515	556	350	651	0	364	643	2227	306	1397	2368	2448	9066	0	338	550	665	1883	1051	0	0	0	1414	575	660	1441	0	564	675	1121	704	675	2202	0	0	0	0	0	0	386	0	0	1278	908	954	1214	5596	0	310	6830	2941	1772	0	0	791	0	0	0	0	1276	3054	2801	0	213	0	543	1024	801	1532	1009	0	598	357	0	723	0	0	0	8784	508	483	1108	1451	2567	0	0	1707	0	332	0	1453	1400	200008	726	1167	1656	465	0	0	2309	9572	0	538	747	Unclassified	0.0	1.375	0.375
2	C5 H10 O3 S1	151.04234	151.04259	0.10826659	151.04236	30908	30411	30116	27380	419	0	11403	5816	886	29254	40380	1931	0	1848	13831	11737	0	379	2323	2626	999	5659	1247	1949	29393	0	141045	368339	5230	26739	4705	11298	2337	3455	9716	15344	546	8128	741	564	0	45248	0	0	0	5650	0	362	3145	12026	18256	29284	550	0	2100	0	3482	3643	349	0	686	0	1557	2222	12496	394	3022	472	0	5295	2346	2052	5116	24384	2832	70181	1698	0	3625	169331	2026	46681	0	0	2416	5895	6218	2501	3125	1594	208002	214107	8629	41877	33401	0	24915	25723	5493	581	774	2397	11213	1544	2977	960	1080	0	6307	489	Organosulfur	0.6	2.0	0.0
6	C7 H11 O2 Na1	151.07295	151.07321	0.5134585	151.07303	0	0	0	0	0	0	714	0	0	0	0	453	0	0	0	0	0	0	0	0	0	0	0	0	0	849	2590	0	0	0	0	0	0	0	0	0	0	499	0	0	0	0	997	0	0	0	0	0	0	0	0	0	0	0	0	0	918	0	0	0	0	0	0	0	0	0	749	0	0	0	0	0	0	0	9627	0	0	0	0	3079	0	683	0	23963	947	0	651	0	0	0	0	0	0	603	0	0	0	0	1088	0	0	0	0	0	0	0	701	0	0	0	Lipid	0.2857143	1.5714285	0.0
2	C8 H10 O1 N2	151.0866	151.08684	0.10970905	151.08661	9299	11228	7724	9736	13359	0	7165	14727	8621	4353	3084	6026	13174	6629	7382	19103	12230	14032	14739	3729	4532	14317	7242	19241	9812	1097	4985	3626	18340	12259	16329	16370	17216	16165	5942	13168	13579	6057	13039	2564	2437	11196	1063	1312	1401	5126	2742	1234	19396	8816	10330	10103	12191	980	11056	4485	8503	23033	1956	3195	20289	1204	9226	5638	6071	12999	12375	15894	798	3198	2159	15764	15432	11155	15862	16711	967	6207	8434	2238	7055	2627	3624	3631	7148	8441	8948	15965	15417	20114	5132	4145	24112	1417	4404	2193	9447	11289	16625	6073	6029	13722	6392	6040	2154	15499	10669	1350	11915	9303	Peptide	0.125	1.25	0.25
0	C8 H10 O1 N2	151.0866	151.08684	-0.110995635	151.08658	10701	12867	10799	9315	10357	0	7339	25790	8796	8383	5184	6401	9503	8148	8858	36323	27845	19770	22127	6483	8279	18961	16885	21387	16768	2019	6886	17398	33973	11555	28105	19968	35426	21696	10433	28171	22378	13433	33485	4917	3167	20565	2106	1461	1258	10881	3331	1373	25373	12167	11107	11040	20889	1112	6713	4249	7352	38532	1554	2965	26891	1659	6191	7476	10554	11098	23699	34681	1587	5880	2296	16226	24429	19528	23714	27505	1327	8759	11608	3240	9840	3531	2949	3161	6159	11327	15156	24604	30449	33850	8252	6401	26653	2633	8225	1520	10248	11283	6422	5770	5950	16618	8287	5725	3051	37058	8473	1507	13881	11789	Peptide	0.125	1.25	0.25
26	C6 H14 O4	151.09648	151.09668	0.08907301	151.0965	29924	32365	33487	26143	65033	211376	6274	25838	6480	16594	15659	7333	52906	632788	9593	14224	10794	24497	226547	20007	6538	7492	7932	19096	9177	15992	8566	31848	22981	16970	19342	24224	8009	10027	8397	22055	12358	7510	8923	15615	11966	295889	18050	19878	29897	20718	11712	17728	17590	22370	36824	28790	28162	26734	5670	8617	12930	13340	59081	13796	18400	24553	3056	7131	22616	29146	1020119	11248	16495	21155	7876	14860	9251	21038	10524	13360	33153	9851	3779	17695	6411	10879	9100	5920	9326	25578	2864	66757	237715	8929	160346	60012	5841	13245	9402	18773	32785	34975	6227	6320	14296	10481	8678	16731	145851	7739	11336	17746	7506	3496	Unclassified	0.6666667	2.3333333	0.0
14	C10 H14 O1	151.11174	151.11194	0.033729196	151.11174	174323	195806	166163	194362	154825	148422	365608	181711	90261	63406	96078	144794	127785	423729	148956	194778	408601	140673	132989	94423	91762	115532	128773	98983	173173	135594	428575	117897	189457	195758	162578	245120	230791	172679	90086	208730	168118	152028	435501	59554	100861	213461	62405	36749	29477	75777	523963	41540	219664	126577	182512	149901	143186	43201	92879	121561	168925	270750	71602	130453	180931	43638	136671	94419	309774	211115	249080	412418	58831	66609	109764	123837	189278	218471	252975	223011	31582	125221	148506	311609	134959	136534	318375	616578	188962	149827	310613	144761	165666	406768	253356	146206	175740	72200	83029	50965	172953	179515	168718	173893	236968	215933	137533	109442	68742	294367	144640	37677	183479	96288	Lipid	0.1	1.4	0.0
12	C10 H14 O1	151.11174	151.11195	0.056176476	151.11176	152359	211604	179854	175111	123813	117985	339708	150786	74720	64096	86464	79850	96397	473693	110674	275470	252535	121370	131974	88338	98627	101897	95923	100330	128333	136534	452143	82719	181414	176077	145221	257285	198596	189302	84317	199717	195270	127927	298581	51208	92497	200853	42477	29650	25581	77925	128116	35057	235156	138187	192245	193945	129475	37856	77097	104817	116518	232856	58380	108519	237361	42570	162674	75636	293272	200810	252699	261746	71521	72684	94134	131930	173008	205613	289364	222054	18799	96106	113736	93187	115545	122730	360361	671539	115332	119613	187071	131852	144301	213742	162270	140659	133619	49178	100790	40218	190039	166089	127983	136276	162647	218095	103572	91773	48670	811531	127334	28037	127331	104693	Lipid	0.1	1.4	0.0
24	C10 H14 O1	151.11174	151.11191	0.011588789	151.11174	132601	149397	118700	128054	114171	99542	315466	131982	85492	67192	69538	116039	93886	167422	130115	174515	209738	94483	128834	80580	72336	80281	106780	115491	109688	87882	271158	94277	128309	139322	112916	157449	158729	118698	72799	156011	153817	114381	227167	68237	87649	116192	60824	38635	42267	66174	93060	47167	167186	133027	126352	123981	95737	39601	96806	93780	104767	178077	77707	109713	157191	52741	99709	86682	141618	114894	121098	210692	62083	73006	88124	92811	109813	142536	159968	164800	43240	104297	136726	147696	117960	81824	158237	124108	109394	103647	170812	106288	132406	278528	233459	186633	165366	73160	71710	50661	120457	132783	94342	105756	138798	184474	101177	111935	66382	152185	101323	51602	137164	106062	Lipid	0.1	1.4	0.0
18	C10 H14 O1	151.11174	151.11192	-0.005428274	151.11174	183180	188647	151970	148039	135489	139789	400194	174465	89780	72653	102131	186442	132414	304621	184925	205368	351884	136493	166268	78149	84904	99792	156573	125897	153510	125962	400606	151237	186469	182709	148776	203506	207233	161447	67996	196419	161446	172336	339324	66604	87696	160735	76122	46617	45166	68347	96477	58687	200569	144759	174760	164578	133844	49814	113733	120399	154045	236560	70117	122888	172064	47424	136026	99812	257329	195295	217101	368241	62074	61792	91854	111540	141170	197184	241166	210794	132598	122858	192441	703492	149914	117495	313788	343808	158440	164209	241777	155369	170864	266637	212370	153246	179634	78444	69640	56104	169798	161413	150935	154497	197862	210807	158382	102263	59691	166330	125277	55567	197320	104749	Lipid	0.1	1.4	0.0
16	C10 H14 O1	151.11174	151.11194	0.026880665	151.11174	130577	170142	147692	151088	134939	133004	357248	142327	89763	68991	83302	131354	109804	310819	133696	184822	364608	140635	144420	86626	73141	93915	121437	100736	128866	97648	328742	95098	165818	173627	148938	203694	205286	140361	70797	185719	164375	123754	367140	52488	85273	157357	73204	39667	35126	67858	139275	39374	219167	156894	153390	155973	129030	51725	90416	130225	141541	241126	61387	139330	167371	37293	141043	83534	243756	192224	220993	317849	50247	51667	78533	125588	161824	194080	237779	207875	43666	95731	120701	158729	100925	109968	324858	501449	149290	135221	219665	138076	151504	333932	192887	166831	158214	66918	93947	47884	140941	150520	137407	149309	233562	206209	97263	94036	57639	158145	147632	34994	159199	127171	Lipid	0.1	1.4	0.0
2	C9 H14 N2	151.12297	151.12323	0.11726433	151.12299	6300	6659	6598	6148	2370	0	3123	7738	664	20877	7666	1777	1029	3350	3831	26344	17290	3730	5395	13183	15056	10371	4432	16318	11826	573	3674	15806	6867	4796	5446	8072	6451	5101	18738	5731	7318	3769	15093	4356	2754	0	0	0	0	3210	2523	0	9674	3017	6442	5667	2724	0	1188	279	1041	15203	0	254	15137	1445	692	626	0	1981	4379	23078	0	1629	756	4394	3698	2920	12315	3783	0	2834	11938	9489	7575	915	1022	24795	763	1973	12087	3640	5460	37731	32697	3822	37634	1892	5023	0	5127	6865	763	393	449	10304	1311	6233	1237	19170	515	0	12733	1043	Unclassified	0.0	1.5555556	0.22222222
16	C11 H18	151.14813	151.14827	0.13787691	151.14815	0	1552	0	1868	0	1650	11579	0	0	0	1756	0	0	18426	0	0	0	0	0	0	0	0	0	0	0	3716	9423	0	0	0	0	0	0	0	0	0	0	0	1532	0	0	1267	1269	824	748	0	0	523	0	0	0	1684	0	621	0	0	0	1577	0	1961	0	0	0	0	7058	0	5465	1998	0	0	1926	0	0	0	0	0	667	0	0	0	0	1376	13104	36185	0	0	0	0	0	0	0	0	0	0	0	897	0	2442	1417	0	0	0	0	0	0	0	1857	668	0	0	Lipid	0.0	1.6363636	0.0
26	C11 H18	151.14813	151.14833	0.06900866	151.14813	31893	29519	29171	27661	14870	14378	481643	15069	12459	9657	51603	14165	8342	247493	13867	11593	29886	12947	17712	15407	13424	12469	9754	9316	15207	71845	471314	66676	15719	13719	10204	15373	15996	11938	12913	18709	13006	22324	29217	14107	31326	22476	15679	12116	11866	14649	16822	11768	14261	14928	25053	27947	14492	10516	12617	45242	34378	18199	14849	39375	40604	18708	48665	9643	325135	13582	37163	28775	53095	23009	28557	10990	13332	18250	17251	17220	14764	12127	12280	53024	13185	48841	72440	105933	15253	15529	19703	17594	19902	25819	42382	22244	18518	19983	14255	10230	31130	32612	50361	13051	15851	18067	13976	35828	27086	11666	11343	12292	19294	18692	Lipid	0.0	1.6363636	0.0
24	C11 H18	151.14813	151.1483	0.050033234	151.14813	26993	34109	31009	29551	24152	22459	473204	14531	9999	20496	35683	13103	10752	304058	15586	19669	28590	10100	20337	15355	16113	10993	12309	13302	11596	54450	434310	65850	11617	15918	10041	16624	15967	11158	15843	18301	16281	16073	34650	9057	35844	25094	26135	9163	12559	16465	32123	9301	20689	18690	30287	27443	12087	12118	9430	25741	36759	17669	14621	48367	36927	19912	72137	9662	198704	26448	56372	29618	24472	23009	35193	11176	11687	15742	19349	21116	17500	12560	11013	91475	10841	40771	112195	203107	14600	17718	16352	17918	21994	33728	77773	59538	18967	21935	20730	13078	31053	34083	39948	9597	11057	17175	11383	36855	28081	14904	11218	9632	15836	22693	Lipid	0.0	1.6363636	0.0
20	C11 H18	151.14813	151.14832	0.049945712	151.14813	53458	62748	54742	59344	10182	23597	531055	9768	4124	16346	44703	12451	4254	1649065	19400	8055	31809	6473	13189	9633	16077	12233	8039	5117	8910	115309	819635	54781	6964	8634	9343	12229	7397	7347	9767	9847	11461	11677	35570	7755	58119	26129	151093	21079	20825	17617	41700	43101	10601	11633	62617	61965	7441	26201	2839	49511	26214	11695	10833	87381	60401	23542	657219	3685	1015713	13981	118716	35322	47008	35443	65634	7407	7202	13913	18402	8919	35177	6727	8305	68495	10159	61859	228253	779951	7039	9823	10787	20816	21073	23914	16584	18006	13518	13700	12300	42373	56493	56359	39792	7466	6852	9069	7524	30929	25381	12304	7843	30306	9978	89073	Lipid	0.0	1.6363636	0.0
22	C11 H18	151.14813	151.1483	0.039548904	151.14813	46315	56907	41370	49951	18088	72159	616611	15480	7368	26407	37213	13722	11434	1471904	19991	14069	28063	12370	28066	20128	17961	18777	10908	11705	12985	85186	551704	63136	14462	14313	9979	13500	15093	8983	13431	15055	13907	13750	28074	16357	32011	58764	50117	15513	14018	22011	31113	15293	15196	14399	50540	55227	15160	19433	5974	87976	117451	17940	21416	42207	61048	26929	390604	7765	681940	28651	201955	32890	29917	47754	44059	7996	8782	16590	14060	16786	35030	9600	10628	101252	8612	54025	244803	515250	10393	16337	15988	19542	43718	27352	63566	53793	27549	19572	19701	23148	47506	59389	124605	11204	7981	13581	10351	31084	27418	11967	11587	12536	13021	55361	Lipid	0.0	1.6363636	0.0
18	C11 H18	151.14813	151.1483	0.045415774	151.14813	9399	10062	7539	7131	3750	4565	165587	2382	0	0	3709	1409	0	278704	3095	2837	5024	0	2341	7568	2236	2084	2298	0	0	45363	160235	9475	0	4067	2910	3150	0	0	2783	2937	2610	1814	4577	2004	4160	6313	21139	4043	4420	4558	5059	6591	3755	2304	8896	9397	4234	5697	0	11266	7445	5460	1963	8999	11200	2300	22470	0	181200	2666	81861	7203	7693	8556	9259	2850	2619	4075	3977	0	4649	1098	0	9024	0	6537	61697	397943	2090	2015	1437	3399	5372	5429	7305	4624	0	1628	3779	7184	10195	11029	16215	1483	2035	1859	1857	10442	0	0	0	7285	1373	0	Lipid	0.0	1.6363636	0.0
12	C7 H5 O1 N1 S1	152.01646	152.01666	0.15695973	152.01648	24175	20950	18915	20471	3325	5867	7155	23025	953	0	0	3643	34632	6405	8446	147987	18751	2621	2991	15488	2557	7140	7517	108517	6397	0	9449	10507	17921	31853	38997	21145	16281	22190	0	13576	10820	8653	47886	0	0	2071	47671	863	477	6252	0	867	39737	46826	22212	22224	2760	1084	3411	0	1019	105373	0	0	49002	0	1751	0	2172	36235	5346	99788	0	2590	15950	28663	19047	20249	99770	27808	318	9309	16354	0	3741	847	0	0	0	0	92560	7712	5389	249038	8325	0	20998	0	2934	735	21349	15553	0	0	920	18298	3973	0	0	46441	0	493	11682	12261	Organosulfur	0.14285715	0.71428573	0.14285715
16	C7 H5 O1 N1 S1	152.01646	152.01668	0.1516672	152.01648	2617	0	2603	3031	16312	4704	0	0	0	0	2037	0	29363	11150	0	0	3142	23383	15968	0	6054	0	0	0	0	0	0	11309	0	1969	0	0	0	2108	0	1728	2661	0	2396	0	3453	13409	4973	385	525	0	7137	1775	3001	1322	3201	1607	17712	4952	0	0	1156	0	0	3714	0	0	4625	2981	2621	68876	97802	5170	0	0	2998	1548	0	0	0	0	506	0	0	0	0	2721	0	0	1297	1252	0	17175	5241	0	0	3121	0	0	0	2265	1821	2114	0	0	0	0	0	0	0	0	1264	1591	0	1953	Organosulfur	0.14285715	0.71428573	0.14285715
10	C7 H5 O1 N1 S1	152.01646	152.01665	0.15588768	152.01648	1559	4933	1592	969	1090	0	0	0	0	0	0	0	3852	0	0	2266	1017	1030	0	2488	0	5565	0	1511	0	0	1203	0	0	1089	0	1818	1711	1107	0	1297	1291	893	13833	0	1545	1632	10540	0	380	0	0	0	1727	1504	1528	3465	0	0	0	0	0	2796	0	0	0	0	0	0	0	23430	0	32960	0	0	7201	1598	0	0	35820	0	0	0	0	0	0	0	0	0	0	0	900	1479	930	113636	0	0	0	0	0	468	1578	1689	0	0	0	1527	0	0	0	4287	0	0	1083	4955	Organosulfur	0.14285715	0.71428573	0.14285715
14	C7 H5 O1 N1 S1	152.01646	152.01666	0.09819353	152.01648	10651	13453	6157	9981	73672	20531	0	2100	1201	10719	3593	0	34650	42094	0	2429	7188	31251	22035	3632	10865	5769	0	0	0	0	0	23971	1908	1521	3242	0	10412	8254	6551	2361	8157	0	9962	1929	5906	28373	9406	536	841	0	3706	5132	6255	1796	9895	13540	72233	9280	1765	1232	6972	8117	0	7601	0	0	27270	3171	9843	181313	174546	13837	0	0	7216	3530	4085	2861	3247	5885	469	1415	0	0	0	15443	0	0	1482	3596	0	101098	34489	9179	4090	10494	7482	0	0	13239	12075	9330	1363	1545	1798	8076	0	0	0	14072	1883	3939	0	6030	Organosulfur	0.14285715	0.71428573	0.14285715
8	C5 H5 O1 N5	152.05669	152.05684	0.1785708	152.05672	0	1520	2046	1842	1703	16828	0	3522	0	0	0	1237	0	2309	0	7413	0	1698	1549	0	0	0	0	2109	3320	0	0	3040	22808	15975	3802	2424	2053	1861	0	2668	1097	0	0	0	0	12778	515	686	848	0	0	594	11150	1482	1657	1472	1962	1107	0	0	524	3455	0	0	0	0	0	0	0	0	2087	0	0	0	0	2790	20811	2073	0	1021	627	7448	0	0	0	0	0	0	0	0	3398	2049	3613	1909	0	0	0	0	0	762	2126	963	0	677	0	0	957	0	0	1976	0	664	0	961	Unclassified	0.2	1.0	1.0
0	C5 H5 O1 N5	152.05669	152.05695	-0.14187096	152.05667	187830	180717	166715	163436	61512	226356	69642	283242	53295	26106	6861	30372	47582	83216	56297	14255	6272	98476	111607	5312	21624	40382	20329	222696	124086	807	0	77092	1327785	290285	239571	502455	163585	318635	21372	409701	102171	59992	12151	5436	1210	471536	8190	1031	1148	53971	0	1211	677770	129055	148163	109813	60680	29228	36495	17457	24719	411140	1219	1756	209620	0	41043	38273	38803	62701	106790	7117	1686	16956	4485	537909	1424221	387210	0	389514	615	81963	29037	7861	48334	1145	2410	2426	24894	81061	19659	118158	137353	13436	514707	364343	35699	6467	2674	16698	153995	162280	61776	7381	10912	80161	30382	10556	962	79704	22238	1346	60013	42379	Unclassified	0.2	1.0	1.0
2	C5 H5 O1 N5	152.05669	152.05695	0.19312237	152.05672	10892	11160	11581	8496	3248	0	817	4081	3190	1559	20252	2523	1763	7982	20067	7707	10388	2759	4383	0	684	8050	1767	1526	4618	0	0	138947	4373	2302	13778	2325	6111	1010	16475	1837	2424	19842	8942	0	412	8255	364	406	597	352	1253	416	2678	476	8234	10836	4495	2225	1035	2137	4600	10695	242	0	0	208	2283	0	27747	3928	5680	9281	0	573	627	3143	7522	2219	0	3456	391	6020	7703	32010	5229	0	382	0	5938	20212	15257	6824	4586	34643	121817	91548	10523	22091	3920	1260	12756	11572	9959	1841	2837	0	8472	0	0	13980	3961	505	32127	1600	Unclassified	0.2	1.0	1.0
0	C6 H10 O2 N1 Na1	152.0682	152.06847	0.07098462	152.0682	6719	5520	5215	4494	15211	0	0	12195	3646	1375	0	1533	24871	0	1486	5356	0	10100	12230	2270	2390	7756	4193	7742	2222	0	1563	0	16927	5282	9704	8683	9848	15203	19445	6056	11274	1610	709	2252	0	6437	0	0	0	4184	0	261	11975	3308	5779	4841	7514	402	3403	463	0	14540	1200	0	5619	0	0	3387	892	14640	7254	0	0	1773	0	11503	11375	5211	0	7515	0	3773	1145	0	0	0	0	0	1120	0	1101	5680	6577	2776	12277	14417	10699	0	0	528	4756	5434	852	649	1039	8463	2666	3521	0	11835	1628	526	0	9925	Peptide	0.33333334	1.6666666	0.16666667
2	C9 H13 O1 N1	152.107	152.10725	0.14929785	152.10701	56324	59041	40408	52346	18545	42884	45024	88185	7983	16763	11610	41523	9716	17653	46543	148687	132764	26163	30062	14062	10605	62682	47534	81731	53654	1729	50732	9654	65759	70556	62015	92486	61751	75665	12944	66407	84753	45411	104740	6141	3757	103518	4038	1875	1729	27457	8939	1986	115772	44338	49464	58389	130185	1840	7547	3527	17410	121229	2299	3602	132325	2025	6810	7112	87663	46911	122199	161707	3471	9685	5968	76485	53992	51632	97574	68134	1582	39583	47315	7386	42483	5287	4360	25112	5747	14168	47619	51419	50856	167806	14711	9462	203212	3986	18086	3005	53696	51195	7827	5547	4848	98296	38595	13386	4463	324463	4523	1786	57694	8255	Lipid	0.11111111	1.4444444	0.11111111
0	C9 H13 O1 N1	152.107	152.10725	-0.11330628	152.10698	16791	17482	16938	16413	24409	29723	17267	19369	13374	12096	13202	9089	25394	20266	8980	17590	28929	60541	37134	10054	14023	21740	10067	16633	15681	3517	10759	26578	32529	11179	22984	24052	40805	21809	14472	22794	23970	10545	37389	7906	4725	24698	11257	2136	2347	9492	5490	2221	25993	11708	14346	16335	33030	4948	8755	7979	10886	36191	3073	7366	18106	2290	13555	10845	20812	31577	43552	31242	2384	6724	4856	12714	25487	28558	18032	27145	1971	8723	13309	16828	21928	6658	15043	50964	13069	19153	13417	27573	30486	34535	10802	14348	33820	7573	7276	4495	12425	16415	10728	11901	13907	21874	9217	9725	4929	35779	19539	2103	15506	21880	Lipid	0.11111111	1.4444444	0.11111111
0	C8 H13 N3	152.11823	152.11847	-0.15304886	152.1182	0	0	0	0	856	0	0	0	654	0	0	0	0	0	0	0	1031	1598	2678	0	0	1744	0	0	0	0	0	1399	0	0	0	0	0	0	0	0	0	1027	974	0	0	0	0	0	0	0	0	0	1421	0	0	0	1017	0	0	0	0	2496	0	0	0	0	0	0	1467	1377	0	1039	0	0	0	0	0	0	0	0	0	0	1405	21968	0	0	0	0	897	3983	0	0	0	3710	0	0	5506	6952	0	0	0	0	474	0	0	0	0	0	0	1931	1387	0	0	0	Unclassified	0.0	1.625	0.375
2	C10 H17 N1	152.14337	152.14363	0.09083056	152.14339	8691	10630	8186	9453	1585	0	5475	12221	601	27284	7899	7404	667	1415	5431	80116	16285	1767	3879	15439	16488	8226	2280	9654	10565	803	11769	7819	16765	12977	6337	35364	11658	25038	30210	43995	9337	5763	19267	3072	1341	0	0	0	0	2789	2894	0	19868	13433	9256	8771	5132	0	1264	263	778	26827	0	237	45952	1024	1681	596	0	1854	2936	27756	0	2007	2371	10090	14295	20978	34415	16142	0	9636	6482	0	3625	0	442	1966	729	1253	9997	2598	3482	36474	27203	2364	20682	3397	12913	0	7948	9175	834	509	562	12190	8174	4226	1284	10491	653	0	10220	1383	Lipid	0.0	1.7	0.1
12	C7 H4 O2 S1	153.00047	153.00069	0.13301204	153.0005	3188	5871	3700	3330	3403	5122	0	5984	2234	1785	4412	1544	2809	5894	0	17877	2913	2977	4847	0	0	0	7140	9782	3164	0	3699	17461	4861	8698	4346	11424	0	7556	0	6409	0	3129	4924	0	0	3269	461	0	0	0	0	363	4402	6913	4461	5030	3894	0	0	0	1269	11156	0	0	0	0	2103	2111	1968	5107	2841	0	0	0	0	5302	5104	5133	1728	6567	0	1205	4000	41804	1448	1242	0	0	1217	2263	7366	2366	2771	10944	42266	14267	7260	4733	6476	0	1820	4235	0	0	1031	2276	996	0	0	9967	1517	0	3326	2896	Organosulfur	0.2857143	0.5714286	0.0
18	C7 H4 O4	153.01823	153.01842	0.060561113	153.01825	0	1866	0	2234	4780	2663	2107	3973	1928	0	1356	2571	3956	6713	1979	3261	1813	2462	2260	0	0	0	4261	3664	0	0	2275	1769	0	9457	22549	4400	1858	6366	0	3894	0	1659	1862	0	1959	2841	1698	2135	2672	0	0	3421	3538	5014	0	4613	3119	2109	0	1941	2459	3749	0	0	2218	0	6190	2325	2251	3560	3684	3122	0	0	0	8948	4621	2499	0	6453	2642	2836	3374	3152	2601	2236	0	0	2015	2263	1930	1798	0	0	0	0	0	0	0	2543	2863	2027	1369	6429	4052	2201	2937	0	0	2194	1921	2752	3111	5256	Phytochemical	0.5714286	0.5714286	0.0
12	C7 H4 O4	153.01823	153.01843	0.0997002	153.01825	3723	1869	4397	2748	9819	11844	2499	2711	10987	0	0	1465	18804	8952	2973	2354	0	15988	14033	2112	1730	6457	3523	3651	2639	0	0	0	1970	1643	5825	2659	3966	2407	1654	2109	3558	2823	0	0	0	4064	2068	2407	3755	2862	0	4651	2865	1185	3419	4339	6402	2649	11026	9064	5797	2827	0	0	0	0	26605	4861	3528	14292	3692	0	0	0	1650	2886	2603	2767	1229	2121	2306	1246	3279	0	4765	1161	0	0	7129	3742	4532	3049	4686	0	0	0	3092	0	1144	2824	6420	3713	5882	16485	11613	3205	4553	0	0	3847	6370	3945	2125	15974	Phytochemical	0.5714286	0.5714286	0.0
4	C8 H8 O1 S1	153.03687	153.03708	0.19998936	153.0369	0	489	0	0	0	0	2220	593	404	0	0	2757	0	0	287	0	0	354	0	815	0	0	0	0	0	0	20489	0	1662	2970	2201	781	0	0	0	696	0	0	0	0	0	0	0	0	0	0	0	0	2386	0	0	532	0	0	0	0	327	1069	0	0	544	0	0	752	0	0	0	0	0	0	0	311	0	640	0	2533	0	1089	0	0	0	0	0	0	0	206	0	0	439	0	0	0	0	0	0	0	0	0	0	639	341	396	21201	1131	0	0	0	0	0	251	Organosulfur	0.125	1.0	0.0
2	C5 H4 O2 N4	153.0407	153.04095	0.12054796	153.04073	3957	5336	4521	4774	11326	24965	491	1124	3812	2598	2038	680	13286	23891	908	0	1267	11220	8106	604	605	5195	1274	3884	780	0	0	1410	1923	1051	3875	2830	9704	2444	53646	1675	5931	544	1265	552	0	8333	520	0	0	1230	607	0	2874	1639	5067	3907	23645	2891	916	1112	2149	7065	0	652	0	0	15350	766	3914	18991	12949	1601	0	1027	738	1198	1030	836	0	776	0	1507	1125	0	3743	0	0	0	1534	4278	678	16710	9576	0	11214	6487	5123	876	0	0	4111	4435	9443	1046	1937	6145	3772	1086	255	6987	2229	0	792	6232	Unclassified	0.4	0.8	0.8
12	C8 H8 O3	153.05463	153.05484	0.07171156	153.05463	391871	442256	450472	455772	404259	320385	542453	337780	455179	141496	247389	195001	425207	624445	334401	474471	715841	469172	504761	224019	219205	237894	307181	231934	364698	495065	940623	727637	346637	370886	322976	391059	444951	304255	291381	333102	350857	377548	602558	167792	714794	355123	135506	160977	152732	333076	4314185	187231	376435	332346	460489	445951	400232	157525	513076	295662	376663	362886	186935	280133	390673	141253	552675	346113	472541	642916	364739	832141	238855	283870	373752	253283	305824	338344	517921	383865	111826	263106	349583	1579457	370024	318129	415477	515545	577553	648934	493377	278055	376851	512316	278826	296995	378151	162907	445384	185463	498422	423500	391605	442967	531202	398429	280901	164756	184038	906440	690095	155494	342224	516275	Phytochemical	0.375	1.0	0.0
8	C7 H8 O2 N2	153.06586	153.06607	0.08134683	153.06587	14563	19742	10591	17090	14705	22776	11566	16573	12283	0	9076	11266	12299	24543	11999	20438	19654	18165	16570	4131	4372	13473	11221	13034	10824	2895	15073	27821	19016	13215	17256	23961	17663	21880	16114	18343	22431	10509	28939	5503	4465	18419	5043	6853	7684	9131	5248	6768	21977	15219	15736	19350	15580	6579	14776	6179	17482	26789	3522	4240	18953	3583	9171	8871	12424	21479	23908	25576	0	4650	4698	17792	22882	11864	17507	20908	6652	9713	12992	21107	11218	8381	5197	3057	8767	8775	16742	21639	23467	26382	111650	104924	22210	8258	9802	7050	16572	13938	8731	9408	7947	12332	14026	4622	6749	15042	8972	6333	13081	16693	Peptide	0.2857143	1.1428572	0.2857143
6	C7 H8 O2 N2	153.06586	153.06609	0.0829973	153.06587	35693	36327	27676	40503	30884	25559	36155	58222	29508	8853	17166	30152	18791	25377	32791	67038	61119	39835	37211	9908	9616	30793	27537	63034	22778	3477	36455	21062	52676	49088	57253	72596	75700	62666	15043	49417	74154	30158	84787	5006	3574	36537	6503	6811	6869	17283	7217	6776	60479	50238	36900	38601	35446	7303	24714	12031	26267	74971	6315	8088	71709	4794	25404	19188	18606	34480	38085	75288	3526	6454	4483	49352	57358	47680	50323	65241	4951	26715	25042	16076	29886	12140	9360	5229	17869	19347	38153	53348	50575	69385	20872	14333	70712	7595	7586	7525	36346	29766	16096	12829	15859	65748	36161	9711	0	74438	20499	6753	33085	41128	Peptide	0.2857143	1.1428572	0.2857143
2	C7 H8 O2 N2	153.06586	153.0661	0.014588963	153.06586	29152	31313	22640	27406	49761	30343	14563	30990	41341	7939	9323	17353	58133	45680	19636	324907	35380	60674	55225	7803	8121	30726	20482	36981	17882	4250	13006	8056	38293	22672	33270	37067	45823	41171	28722	27945	40594	17873	30416	8337	4600	58403	5412	7350	7672	15689	7653	7755	41065	20194	32472	29622	45656	7634	29717	21383	28751	131616	5646	8135	93158	4462	85152	26134	28346	60405	48468	49228	5102	12093	7067	48270	38286	25791	50752	32538	5648	14733	17230	5551	18852	10647	7055	5465	28750	28282	19302	59179	65518	36659	8887	8084	46199	4892	7766	11232	28558	26259	41225	26131	27871	36074	22424	8662	5556	43870	26279	7830	21972	79314	Peptide	0.2857143	1.1428572	0.2857143
0	C7 H8 O2 N2	153.06586	153.06612	-0.12790824	153.06584	108501	110271	103681	100692	24605	128717	52319	27865	21433	10221	11363	50016	32681	35666	35300	15094	84409	55486	29390	9183	20830	25464	13803	27096	68929	5124	50471	7954	83398	15592	26507	62182	80552	63776	224982	47522	119548	42030	101735	11229	4574	50464	9639	8440	11775	12307	4479	14406	130837	15870	93526	96647	29448	28341	17838	11161	18445	2511852	4957	4860	105574	3936	47489	41271	56333	26587	44699	543546	7556	146266	62410	26332	34745	17931	9864	50920	5505	39494	12622	6704	13590	8985	5961	5217	12808	26037	13024	104605	69511	21198	12659	7873	36082	5071	9321	20622	95077	96844	18790	13678	12661	84420	22100	10257	6277	54606	15705	12423	49913	38836	Peptide	0.2857143	1.1428572	0.2857143
4	C7 H8 O2 N2	153.06586	153.0661	-0.001385017	153.06586	30783	36794	29356	31438	35994	24317	24828	41681	33273	9817	11799	22361	30614	24276	22600	56839	56119	46022	39820	9585	7988	38092	22244	49564	21309	3863	28202	11214	35481	30213	39709	40278	42667	29844	16010	34255	40980	26354	77114	8318	6530	38609	6765	7528	8023	18147	5991	8428	43452	35150	32437	23960	39707	7740	28072	17246	31329	63762	7379	8204	56432	4719	37615	28311	24888	40668	28467	61880	4689	8944	5492	32974	36202	35791	28003	45053	5799	20186	25090	9167	24088	11841	9636	5806	21822	28857	26702	44466	44467	59828	15737	9947	62343	6794	6779	12021	25898	30118	26549	22768	21013	40314	28276	10846	6963	56797	24770	8197	31306	47151	Peptide	0.2857143	1.1428572	0.2857143
6	C9 H12 O2	153.091	153.09123	-0.007063067	153.091	251883	264704	198864	258269	270877	211234	359334	259042	217766	135086	150411	189916	261294	662707	238551	269339	302374	323574	330479	154465	133882	145038	203135	178488	183134	131565	337347	129897	327374	276775	263647	334306	335690	265773	176009	324236	307288	222336	385595	78713	121317	307454	127349	98950	103712	169767	169258	99647	303391	239116	257533	255072	261783	104877	209189	219916	219910	308156	130779	174571	299073	87954	293763	151796	366506	282912	453419	394044	110239	126127	139786	204519	274594	348454	239753	288897	87778	167898	166606	97788	188934	175486	334501	454313	248990	263115	283486	208353	284821	267224	142066	142950	187145	99650	126828	101139	235836	245951	206438	298115	363065	346437	219459	172137	122948	203168	226498	98994	200436	257276	Lipid	0.22222222	1.3333334	0.0
10	C9 H12 O2	153.091	153.0912	0.010301873	153.091	892880	803516	783161	815550	532595	839752	1746431	605786	356635	512271	417894	460958	531258	8959873	507615	702897	759018	616048	1118410	502515	344999	345252	434668	402028	486433	1028937	2027412	578481	717533	642078	510585	703329	721324	615477	301270	696035	665309	463632	874903	273467	527426	890203	337376	141637	138428	489491	328464	157944	667375	495905	870363	892423	468226	159491	369522	1272077	763408	823521	282821	442792	1230447	282253	1209816	334262	5280865	659778	5161483	884547	481841	713782	513573	499650	587626	698538	750879	678279	116455	389832	403267	533588	388654	498883	1315170	7410477	474160	485725	647401	474320	874205	557402	465355	357324	517847	216615	362083	201783	893799	851771	2030362	487372	560404	666935	437162	501193	244390	453231	414142	152188	454718	700358	Lipid	0.22222222	1.3333334	0.0
0	C6 H13 O1 N2 Na1	153.09984	153.10011	0.052967247	153.09984	5923	6890	5982	5527	8189	0	2009	12924	3030	0	0	4377	5409	0	4251	18743	10374	6595	11666	1724	1328	12946	9294	14601	0	0	1531	0	4135	5341	9305	9300	1935	14278	1445	7204	9363	7147	4300	0	0	3495	0	0	0	7172	0	0	12782	4393	6148	6058	4412	0	3172	478	2847	20567	1027	1816	14234	0	0	1161	0	7955	3194	9341	0	0	0	7178	9694	5444	0	7981	0	2994	11109	0	6412	0	2164	0	2301	0	10512	6426	4937	18911	6879	7313	27963	957	0	0	8273	5507	2092	763	3914	8877	2927	3219	933	19588	849	0	11607	3621	Peptide	0.16666667	2.1666667	0.33333334
6	C8 H12 O1 N2	153.10223	153.10246	0.049665093	153.10225	15795	16695	13255	13214	52327	17434	16993	12809	13122	2887	3232	7811	23891	7187	6593	23045	15065	31294	35120	3126	3197	13699	6410	17616	9952	0	11463	4580	11222	11410	14407	18548	14544	10899	6792	16452	13329	8145	21066	1466	995	12858	1061	799	640	4809	2008	780	15453	13199	16629	17843	37187	794	5933	23495	24187	23796	2044	3007	16611	1137	8599	3872	17678	27920	20283	25737	0	1910	0	11482	11352	14131	22638	19672	701	7388	5612	3694	7730	2887	3761	1131	30817	19329	12979	12660	11912	29360	14912	9270	38937	2267	2761	821	15685	12368	22384	56722	95331	15079	12311	3542	0	17351	60883	819	10755	13879	Peptide	0.125	1.5	0.25
12	C8 H12 O1 N2	153.10223	153.10237	0.07024757	153.10225	0	1856	1475	1899	2031	2496	0	0	1448	0	0	0	0	1953	1001	2676	2890	2954	2954	0	0	0	0	0	1930	0	1575	0	0	0	1549	0	6090	0	0	0	3670	1008	2746	0	0	1131	766	679	577	0	0	1017	2115	0	2347	2073	3509	526	0	920	961	2431	0	0	0	0	0	0	1112	1783	3646	4193	0	0	0	0	1119	0	1361	1254	389	0	1753	0	1200	1249	0	0	1110	1442	2384	3566	2088	0	26975	9103	0	0	2167	588	1859	0	0	0	0	0	1283	0	0	2076	1334	746	1240	2234	Peptide	0.125	1.5	0.25
2	C8 H12 O1 N2	153.10223	153.10248	-0.004858575	153.10223	25937	32254	21815	25440	19437	0	38356	52426	15903	10008	4997	22008	11718	10497	22444	47722	31606	23850	26664	9048	6940	49764	19837	67299	39359	1360	32904	8031	45835	31325	50940	45441	35451	41082	11916	44114	29498	20184	41541	5305	4472	25926	2786	861	846	18450	5219	814	43668	18108	25425	30101	24407	776	15465	4444	14511	82244	2645	7695	49652	1423	9795	12286	13817	17493	27743	42028	983	9136	2115	31915	32475	31020	33703	47119	869	16620	22971	4195	19392	5182	6093	3563	7855	19218	28528	33347	37275	80693	10990	7832	109210	2714	5530	1409	28562	27472	11689	5477	6659	26197	23835	15953	3437	51091	15514	708	57727	15897	Peptide	0.125	1.5	0.25
8	C8 H12 O1 N2	153.10223	153.10246	0.057458617	153.10225	9224	12167	8496	10906	5847	4812	17511	12691	2702	3999	3086	7407	2956	2246	5993	20273	23659	4428	5834	3375	2461	6531	5000	17736	7657	727	19180	4369	15025	16174	13550	29333	19380	9658	6519	21814	18673	8759	32408	0	1654	8328	0	811	769	3519	1490	865	20427	13524	7830	8929	7598	643	2564	1133	4434	26219	2740	1839	20635	0	1599	3422	4146	4708	8829	34278	0	1968	1869	6144	10117	19665	34857	25577	628	7795	7065	3181	4227	3282	2554	0	2659	0	8647	5748	9081	25453	0	7714	20094	0	1850	879	9164	7966	2680	2903	3790	17296	8813	1478	0	19647	3891	570	11166	4828	Peptide	0.125	1.5	0.25
4	C8 H12 O1 N2	153.10223	153.10248	0.024288647	153.10225	6671	9336	8307	8506	5283	5119	14299	11800	5327	2352	2853	6146	3526	2088	7701	20094	17477	7585	7108	2039	2224	22732	9484	22926	8257	705	11919	4807	8083	7425	9084	10302	14460	7962	4405	9635	13314	14899	20265	1554	1868	6045	1010	727	703	4208	3267	1138	12417	5366	8222	5219	6946	694	4038	3902	7539	15637	2271	3866	17631	1066	3860	3643	8616	5071	4686	23469	0	1615	0	7661	7249	7143	10296	7644	770	8250	24930	4995	19974	3624	4138	1037	8184	16987	23775	9164	7073	19760	10178	6624	29642	2486	3057	1237	8030	6943	10898	7159	8175	12959	9379	4953	0	18601	19660	864	22587	4664	Peptide	0.125	1.5	0.25
10	C8 H12 O1 N2	153.10223	153.10242	0.013627319	153.10225	9368	7400	7471	6211	6138	2917	3327	4003	2241	4991	10307	2066	6066	3802	2417	6358	3278	6430	4273	0	0	4890	2035	5976	3240	0	4663	116813	2483	2497	2253	3270	8317	3793	3371	3674	7504	1909	5022	0	0	2951	736	768	695	0	0	1076	4308	1667	8692	8429	3695	905	1387	0	1731	6463	0	0	0	0	3135	2298	1276	6043	2504	4835	0	0	0	3705	3493	2814	2318	1846	642	1724	3702	71499	2892	2870	1100	0	1986	1407	5191	3731	4958	7811	338122	79681	6746	8501	10074	895	8811	7547	1612	1208	1076	4766	1710	0	0	5912	2414	777	4349	5529	Peptide	0.125	1.5	0.25
12	C10 H16 O1	153.1274	153.1276	0.054962475	153.1274	26852	31764	31337	30491	14651	17288	50398	33655	6450	5080	12951	22525	10563	48168	27679	49110	45402	10131	13163	8535	5616	9818	17755	20717	22369	15211	79422	8904	31701	39067	35061	51156	27606	37004	5982	37407	28656	34880	55978	4450	9894	28253	10063	10060	9033	5952	23971	10758	56182	41668	26629	33558	12595	10385	4201	15011	19538	50721	0	10800	35776	6185	12549	5229	35839	16559	35118	55203	0	7765	9728	34605	33693	47371	46773	42233	7904	22933	20556	0	15183	15258	26888	68773	12110	17871	59329	12518	19326	30407	20125	15365	15923	5748	8632	9271	29466	26846	16699	16603	18720	34842	22902	12880	0	32102	15107	9958	24723	6398	Lipid	0.1	1.6	0.0
24	C10 H16 O1	153.1274	153.12756	0.001334983	153.1274	82929	99497	82092	81028	49888	45042	228078	61150	37152	94193	92442	49400	45380	129989	54372	78041	101613	37841	57019	33191	55584	36821	50532	49073	38157	48703	196809	117038	56624	72421	50093	72293	69721	47111	47398	70823	59082	48667	113839	65150	57167	62359	64845	28020	38911	50280	67676	29867	68324	61884	89469	76296	46887	47208	43695	43806	56035	71420	462210	70776	64825	421332	67524	38925	100919	67257	78737	113709	27268	34609	45098	40630	45716	67030	72713	71556	43661	42024	50157	213080	44603	46948	103794	318008	50671	60381	69426	49905	56019	105336	194216	164055	67588	60077	39935	37506	83258	87699	54388	42360	57345	73325	50686	52342	2092763	61501	53729	38429	49737	43411	Lipid	0.1	1.6	0.0
22	C10 H16 O1	153.1274	153.12756	-0.017804494	153.1274	87406	108948	82449	103999	68628	68256	292506	66249	47667	91111	158105	62390	44546	219124	64146	66615	116412	45806	38253	38703	50527	51261	50435	51434	51478	53583	264309	311832	63913	76413	52365	84948	96097	53915	44277	90549	65411	73073	116604	51695	74455	83536	130546	70302	62231	49194	96500	50480	85316	67459	111378	83924	54111	102177	46405	60303	88720	76279	315872	88318	67970	272408	82369	44474	181104	95441	98739	138374	42985	48954	73216	50245	54938	70590	67224	83088	73796	50546	53119	520354	51918	73409	182368	342512	57585	83657	80610	65884	66096	116939	336130	266005	86284	90917	49207	60650	89887	111243	79453	60321	67734	94094	58406	51978	2458450	66520	59397	53532	60094	63858	Lipid	0.1	1.6	0.0
14	C10 H16 O1	153.1274	153.1276	0.03158513	153.1274	37622	33357	36035	39067	33287	25978	94457	35348	19201	17401	19577	33874	21621	128135	37665	38932	81995	22835	20449	12675	13955	17480	30478	16075	42976	24701	128502	45471	39696	37664	35570	61535	41604	74272	12592	46117	37279	37058	77601	10788	15130	38601	18642	12000	8993	11606	32520	12605	47045	32416	41155	39804	23222	14429	10884	46308	56446	49556	9742	19439	47350	9405	26513	13216	192466	39952	61595	77994	0	9146	25179	86545	51424	46869	50040	41487	11650	31243	33188	49929	30917	26187	43854	176190	21187	29343	115183	37575	33982	91841	53013	29567	35373	13994	11188	12892	36897	43775	95051	35580	37398	29391	29459	15646	0	46534	40899	12169	46034	12769	Lipid	0.1	1.6	0.0
2	C9 H16 N2	153.13863	153.13889	0.115749285	153.13864	3407	3930	3205	3169	2113	0	3596	2598	786	7795	2303	1116	953	1110	1378	7830	3710	4404	7693	10300	8525	4590	868	4566	5159	477	4112	1963	2774	2232	2026	2807	6850	2264	8364	2860	8854	1071	4497	4508	3115	3878	0	0	0	1295	1642	0	3151	2067	2906	3100	4634	0	993	0	866	7327	0	314	5980	1454	1197	632	0	2880	8189	5135	0	666	903	1565	1495	1618	2885	1372	0	1315	2992	0	1123	0	582	2786	1128	1214	7502	4955	12740	34795	5789	1903	12914	1471	5878	0	3224	3523	506	374	457	5818	1063	4554	757	5902	349	0	4379	1575	Unclassified	0.0	1.7777778	0.22222222
0	C9 H16 N2	153.13863	153.13884	-0.31855395	153.13858	3821	4023	4732	3868	1018	0	2726	4104	0	2461	2037	2128	0	0	2409	12158	27984	1908	2033	0	2414	2834	1416	4214	1697	0	1690	2037	8663	1620	3603	5673	7018	6123	4199	4542	5530	2242	26017	0	0	1127	0	0	0	0	0	0	9715	4233	3129	3508	2393	0	493	0	1711	8584	0	0	8680	0	0	0	2458	3716	17808	19334	0	0	0	4919	2454	0	12504	2984	0	1652	1773	543	1262	0	0	0	0	3101	4115	6831	3262	16546	1598	0	17535	0	0	0	2478	4243	0	0	0	4933	0	0	0	8903	920	0	3204	0	Unclassified	0.0	1.7777778	0.22222222
6	C7 H7 O3 N1	154.04987	154.0501	0.011959447	154.04987	167710	197051	145937	180179	176239	254317	170552	239547	199810	65148	92874	189238	168610	249589	278568	281568	274115	314294	293899	37407	40332	126149	232140	236906	154697	21846	161053	80406	228376	216797	301221	293649	377591	289996	69820	205091	353503	248750	322603	24450	23039	217167	36460	43295	51379	84274	26782	40732	265627	205572	196726	193245	213819	47914	134052	95362	166852	356592	32145	30622	324927	21154	231905	101039	132025	281838	244658	302396	36516	43070	29197	226179	264069	215344	164404	238057	37432	151057	175031	44338	163653	59194	40761	25388	110653	168009	200799	282931	277492	260080	73905	61393	265781	37616	43272	52143	168999	161015	92487	79222	109072	291624	239265	35202	30211	321726	90288	42571	156163	261110	Peptide	0.42857143	1.0	0.14285715
0	C4 H8 O2 N3 Na1	154.0587	154.05899	0.19207065	154.05873	2447	0	2006	1668	11047	0	0	2434	24817	0	0	1878	20573	0	2280	0	4642	7035	11505	0	0	5923	9567	2465	8177	0	0	0	1542	0	3628	0	3234	2224	1071	0	0	0	13004	0	0	0	0	0	0	0	0	0	1617	0	0	2215	2387	0	30626	22517	2784	5775	1050	0	1916	0	14992	5078	6667	20604	4580	5799	0	0	0	0	0	0	0	1776	0	1158	17406	1409	10457	0	0	0	29706	4127	18375	3537	3249	24476	0	1521	17607	0	0	0	0	0	17411	23290	10640	0	0	0	0	3906	18186	0	7005	28298	Unclassified	0.5	2.0	0.75
8	C8 H11 O2 N1	154.08626	154.08647	0.035819776	154.08626	74520	90182	63744	82546	69079	60947	83114	97086	61869	22341	27595	71338	58143	164459	91559	118702	174988	82255	85519	32097	24670	59897	85646	89541	84278	10179	96001	32684	102545	103367	95233	116611	112542	99521	37216	97967	120986	87883	203243	21416	18849	86338	31982	21801	23044	41171	27233	23542	112639	86397	67371	87023	73184	20708	61287	41770	64562	120892	26203	32466	94694	11989	51716	50429	101397	66781	111840	177558	12499	15966	17923	83326	93593	85169	135607	118608	17171	70335	87252	34392	83214	43298	38664	29697	52769	50676	127650	82261	97731	197050	44049	54694	158712	22272	20045	21207	79496	74935	59360	66385	65223	112592	76097	43468	15796	101521	62402	21010	93706	66361	Lipid	0.25	1.375	0.125
4	C8 H11 O2 N1	154.08626	154.08649	-0.043306936	154.08624	167220	188549	165004	173852	172234	124005	104979	226875	135633	61320	59816	113479	155929	107101	103979	267804	265998	242025	190856	71672	64335	189659	96339	254180	104217	13538	131120	49046	235967	187626	244751	225251	275240	172621	103041	223975	278889	113566	333006	43742	36702	170961	24313	20805	23051	105048	46023	26269	268500	178056	185419	125902	195144	19298	131169	81893	117844	314244	44674	65670	271863	20928	140337	128161	94080	177173	158233	274916	21723	41507	29524	169457	145992	204812	209209	232520	17532	124828	98532	30542	91952	49772	76774	143712	102877	114300	118757	179559	221176	188399	97826	63793	277985	29894	53669	30313	157886	168645	117175	130797	121516	249952	128985	79855	32392	268695	124191	23317	116667	197003	Lipid	0.25	1.375	0.125
10	C8 H11 O2 N1	154.08626	154.08646	0.024989836	154.08626	64366	59291	55681	55763	51494	59472	78293	89670	58589	20482	24470	62957	41551	46930	99667	112927	99138	68304	67093	22771	21712	47563	72568	79003	91646	6553	96064	31939	94759	80161	82132	98419	93597	86852	25542	83181	84937	83296	132604	20606	15955	56984	25658	21739	19017	30969	19391	23298	85929	63223	65640	70213	53802	18067	46527	35160	51051	130757	25467	27267	98360	10825	31181	32955	46296	60364	50530	121216	11123	15526	11881	71554	73704	75792	113620	90050	18522	56900	82353	39164	79599	32919	32542	26068	49626	56730	125348	65368	66899	135734	63781	41415	112671	16853	22879	19879	61291	68043	45968	43708	49410	81190	76412	35045	0	74407	41206	22281	82394	54221	Lipid	0.25	1.375	0.125
2	C7 H11 O1 N3	154.09749	154.09773	0.03949146	154.09749	2110	1210	1366	1751	654	0	816	2336	860	538	0	584	678	349	897	1774	1164	4034	23220	0	389	2749	1070	3240	1751	0	0	2271	2066	914	1502	2544	3582	1381	586	1439	1755	935	1841	0	0	0	0	0	0	601	344	0	1092	1294	1411	1658	829	0	283	0	722	2790	229	285	1651	0	830	616	0	748	983	2484	0	214	0	1355	1045	820	779	1230	0	551	1054	2668	1044	0	0	258	567	882	1417	1611	4427	6374	0	0	7483	378	0	0	1112	1265	447	384	726	3661	961	553	0	4047	502	0	1498	976	Peptide	0.14285715	1.5714285	0.42857143
8	C9 H15 O1 N1	154.12263	154.12286	0.0506621	154.12265	3605	2444	3160	2837	3658	3349	2412	5004	0	1078	905	1223	1194	2395	1831	17246	2747	1514	0	1231	1305	4758	1866	5152	3030	2347	2325	0	5896	2965	7657	7304	4458	8434	2743	6742	3766	918	3216	2175	2413	7832	1273	828	804	0	1162	1166	6632	3996	3260	3934	4087	1689	1352	802	2175	8540	1190	2322	22873	1270	0	1672	0	2940	4005	4038	0	3514	2182	10827	8062	2866	3484	5600	986	1795	1907	0	2224	1135	2763	2613	849	0	3879	2818	2693	1659	0	0	2306	1551	3161	636	2483	3849	1399	1730	0	4537	1430	2761	0	3250	1875	1227	2878	1745	Lipid	0.11111111	1.6666666	0.11111111
16	C9 H15 O1 N1	154.12263	154.12282	0.012084886	154.12263	8667	13435	11862	9453	85932	52306	44556	12528	32085	2532	4171	7483	3623	9233	8495	30618	24894	9572	8794	1933	0	2630	3046	6054	13163	0	30288	4902	15350	10684	27023	11882	13689	15809	4737	18825	17272	7784	24718	1813	0	60371	2621	2397	1916	4077	3055	1859	18789	8724	11117	11531	71073	10415	0	3718	50250	24902	1739	4132	24471	0	13889	13671	55820	31962	74275	31194	0	0	1386	8759	9689	15496	21818	19630	5494	4788	1844	0	1698	1559	2503	2708	18550	37834	9077	13566	17822	0	6802	3964	0	1890	2807	2772	7920	10642	32394	5245	7321	15896	7752	2495	0	15242	138661	1666	4170	13884	Lipid	0.11111111	1.6666666	0.11111111
6	C10 H19 N1	154.15903	154.15924	0.09037008	154.15904	1744	2649	2458	1812	3211	1867	1875	3459	649	8129	3634	1235	0	1347	0	1537	0	5005	6640	2872	3517	0	755	766	1246	0	2082	2549	2118	2202	1791	4285	4513	1984	12004	3449	3636	539	3715	0	0	6351	0	0	0	0	1284	0	4813	1162	2773	2342	4779	0	1039	446	1445	2057	0	0	1007	0	1295	0	837	1967	5082	5105	0	0	0	809	4821	2039	6403	6251	0	825	1040	15333	1097	654	0	1504	1278	0	1602	12645	23696	3005	9151	0	2146	4085	6912	0	1977	2135	479	437	0	3317	1741	0	0	1862	1199	0	803	763	Lipid	0.0	1.9	0.1
4	C10 H19 N1	154.15903	154.15929	0.07433517	154.15904	5539	4959	4572	5210	12451	2059	2848	2399	1436	16132	5700	1858	6402	36845	2077	4203	8786	3943	5915	10683	12443	3965	6543	2289	4401	2764	4067	7902	4035	2417	1007	2944	4442	0	24636	4092	3858	2838	5623	1588	491	2042	0	0	0	0	1579	0	4517	2016	4998	5403	6568	0	1405	1877	880	8431	0	0	2941	0	3609	1298	1793	4022	2724	10285	2398	2960	3619	2176	3291	4260	5517	2522	0	1906	4799	0	4298	0	0	1395	0	1845	4913	4678	6876	23335	10677	0	7834	2756	4366	0	4563	3747	1949	1259	1062	3034	2036	1380	0	15773	4823	0	3857	2250	Lipid	0.0	1.9	0.1
2	C10 H19 N1	154.15903	154.15926	-0.005062204	154.15903	20091	18257	15723	17742	10655	0	8339	14383	1864	43669	15625	9586	4195	6279	29929	47463	14263	3708	7692	31750	25065	26073	89924	67426	24166	0	15978	13684	11548	11738	8009	18665	12481	16395	33628	14343	16986	26175	14450	8855	2211	0	0	0	0	19128	8126	0	16164	9338	18239	16026	5789	0	3363	1311	1910	50972	0	0	35922	2174	5278	2237	5492	5148	4296	18912	1023	1726	656	13617	10787	14098	14184	10394	0	14644	22960	19620	26529	17012	790	4976	3295	1489	20312	3063	6012	42316	143207	4366	83267	19965	60542	0	16055	18364	2804	1996	2951	14144	8678	12810	22246	35289	5035	0	16156	3648	Lipid	0.0	1.9	0.1
10	C7 H6 O2 S1	155.01613	155.01634	0.15456101	155.01614	2570	2323	3051	2886	3678	4035	1372	1843	854	8698	7766	1170	4611	3569	1211	2003	1012	5963	2070	2084	0	1798	2024	0	1790	0	895	11922	2280	1302	1654	1544	1628	1834	14595	1065	2676	1507	3519	0	0	2906	2158	570	572	0	2997	692	1943	1555	1673	3020	3833	728	0	1249	1856	2726	0	0	0	0	4173	1856	1092	9939	6206	3829	0	0	0	0	1779	1026	1211	2638	0	0	1101	0	0	1694	0	0	1492	1510	1855	2930	3033	6388	38952	34461	2957	1829	1401	691	1295	3150	0	1327	2356	0	1885	0	0	2773	2248	0	1124	3157	Organosulfur	0.2857143	0.85714287	0.0
16	C7 H6 O2 S1	155.01613	155.01625	0.06930883	155.01614	0	0	0	0	4073	3384	0	0	0	0	0	0	1787	1167	0	0	1690	2272	2130	0	0	0	3024	0	0	0	0	0	0	0	1476	0	0	0	0	0	0	1015	0	0	0	9544	1054	374	387	0	0	693	0	1219	1965	2492	5405	474	0	0	10828	1827	0	2360	0	0	0	0	1158	20039	50951	2089	0	0	0	0	0	0	0	2215	526	1022	0	0	0	0	0	0	1275	0	0	2747	1939	0	4214	5912	0	0	1888	458	0	2782	1754	0	0	1803	0	0	0	0	0	442	1072	2138	Organosulfur	0.2857143	0.85714287	0.0
24	C9 H7 O1 Na1	155.04674	155.04703	0.16059247	155.04675	0	0	0	0	1735	0	0	53604	0	3798	4026	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11869	0	0	0	0	0	0	1696	0	0	0	0	0	1302	0	0	0	0	0	0	0	0	2739	0	0	0	0	39993	0	0	0	0	0	0	0	0	0	0	0	1654	0	0	0	0	10395	0	0	0	0	0	0	0	40105	0	3043	0	0	0	0	0	0	0	0	0	0	0	9468	2352	0	1607	0	0	0	0	0	0	0	0	0	1380	0	0	0	Phytochemical	0.11111111	0.7777778	0.0
14	C9 H7 O1 Na1	155.04674	155.04698	0.26008883	155.04678	4245	4885	2617	3824	10351	3185	0	0	2627	0	0	0	2180	8333	0	0	0	0	0	0	0	0	0	0	0	0	2723	0	0	0	1741	0	3283	0	0	0	0	0	0	0	3525	25583	0	0	248	0	93596	417	0	0	2597	2971	4791	0	0	3678	3447	0	0	0	0	0	0	2969	2376	9589	2618	5792	0	1751	3716	0	0	0	0	1628	0	0	0	0	0	0	0	1343	4094	6274	0	0	1579	0	0	0	2400	0	0	0	3942	2362	4235	2425	2909	0	0	0	0	204527	10838	0	0	0	Phytochemical	0.11111111	0.7777778	0.0
2	C8 H10 O1 S1	155.0525	155.05273	-0.10147506	155.05249	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	301	0	0	0	0	0	0	0	0	0	0	0	0	0	502	0	0	0	0	0	0	0	0	0	0	0	0	0	692	0	0	0	0	0	0	0	0	0	0	25633	0	0	0	0	0	0	0	Organosulfur	0.125	1.25	0.0
12	C8 H10 O1 S1	155.0525	155.0525	0.14671148	155.05254	0	2142	0	1379	0	0	6470	0	0	0	0	1186	0	0	0	0	0	0	0	0	0	0	0	0	0	0	536004	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	801	0	0	1137	0	2474	0	0	0	0	0	0	0	0	1062	0	0	30354	0	0	0	0	0	0	0	Organosulfur	0.125	1.25	0.0
14	C8 H10 O1 S1	155.0525	155.0525	0.16246444	155.05254	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22021	0	0	0	0	0	0	0	0	0	0	0	0	1322	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5421	5953	0	0	0	0	0	0	0	0	1450	0	1624	0	0	0	0	0	0	0	Organosulfur	0.125	1.25	0.0
6	C6 H11 O3 Na1	155.06787	155.06808	0.36612368	155.06792	2464	1814	1904	2171	0	0	0	0	0	0	2777	0	0	1043	0	0	0	0	0	0	0	0	0	0	0	0	575	137202	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1448	0	0	0	0	0	0	0	1680	2557	0	0	0	0	359	0	0	0	0	0	0	0	880	0	1471	0	0	0	0	0	0	0	5539	0	0	0	0	125992	0	0	0	0	0	0	0	0	0	0	6921	9157	0	42740	4903	0	1927	1593	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.5	1.8333334	0.0
10	C8 H10 O3	155.07027	155.07047	-0.041050166	155.07027	509666	433641	393670	447592	545374	556581	570194	648504	517524	213814	235102	431329	645577	1553466	530637	613768	627721	728813	697796	266957	238196	246295	502884	374522	497811	198292	581129	317665	712366	741735	516846	672155	690272	610338	266095	620329	668275	462525	660468	162665	163847	623904	213424	153176	157065	228295	139701	172520	634061	515202	475003	474281	526475	149968	530266	427775	328785	729786	202713	183417	714890	114335	521136	434757	908201	724736	848506	663183	184551	228010	183471	613689	642179	669173	593417	641482	143741	418451	358856	289387	355315	261276	444270	675073	444849	445122	532961	452855	587149	324763	297177	243367	366654	167434	163340	167957	476572	472054	440734	446677	505226	648407	437242	239082	130381	447385	404379	162996	388829	624148	Phytochemical	0.375	1.25	0.0
2	C7 H10 O2 N2	155.0815	155.08173	-0.102186106	155.08148	21621	23130	16431	20652	24756	18358	15555	30336	21940	5886	7415	18135	22374	14535	16741	12216	24571	31858	25150	7270	7085	35786	15461	49627	16928	2705	10326	6018	35214	22768	32938	24278	35185	43828	9287	27505	33955	16241	27394	6518	4051	28227	3449	3675	3631	16779	4385	4363	31966	20202	20725	19719	31905	3733	24237	12690	21297	43085	5112	7292	16623	2377	23231	18029	21560	26391	25266	27462	3092	7996	4224	43224	42902	22623	8879	31075	2579	16923	13602	14339	13661	7915	6782	3974	15797	21332	16489	42362	33993	34890	12974	10551	52670	4490	3569	6221	19876	19601	24609	15866	14543	28303	19645	6970	4545	48121	19649	4117	17881	33380	Peptide	0.2857143	1.4285715	0.2857143
8	C7 H10 O2 N2	155.0815	155.08171	-0.05705405	155.0815	16566	20418	10182	16346	26099	14384	13490	29017	13864	3458	3077	12172	34583	16837	19735	22968	17144	25224	18298	3579	2562	10575	14211	20208	14992	1213	21551	6189	37626	30444	31571	47714	25563	45505	6843	36760	25347	15173	23131	2607	2291	19747	2673	3381	3377	6010	2556	3723	32805	30129	14724	15259	19337	3356	12593	6959	9484	34805	5218	3097	35130	2088	12874	11266	8041	29398	19753	18989	0	2749	1829	41396	43771	53355	15728	42360	2975	14866	10702	6812	11564	4119	4038	1817	9134	9142	16893	17939	16358	34901	15271	11977	33276	2476	4283	3515	21149	14458	10878	16643	13145	22749	17248	3354	0	24642	15228	3453	14474	21161	Peptide	0.2857143	1.4285715	0.2857143
4	C7 H10 O2 N2	155.0815	155.08174	-0.07019418	155.0815	16500	23545	19895	19772	27671	17340	19679	21394	22891	5359	7437	15288	32540	13234	14450	27218	61216	40172	26812	6473	6071	18723	13699	24726	13282	2039	17457	9265	23555	15775	23394	23865	27018	21800	8594	19936	23400	18744	75757	4270	5014	26959	4362	3895	3973	8696	4489	4822	21837	15447	20711	16141	27035	3225	22149	17806	24277	35416	5647	7465	31731	1849	31116	18717	19735	26913	21392	62950	3559	5114	4281	18786	19341	17305	25946	19845	2787	13258	16204	11426	16662	9179	7807	2578	18442	24674	18770	33700	29408	37582	11284	8740	34787	5855	3296	5732	16288	20221	22223	18073	18015	22829	18819	6515	4356	36185	22417	4345	19921	37799	Peptide	0.2857143	1.4285715	0.2857143
6	C7 H10 O2 N2	155.0815	155.08171	-0.0820581	155.0815	22279	21055	17582	23134	15991	12915	29158	30853	13744	6517	7524	18688	9452	11803	20825	38124	46026	19320	22121	4450	4140	17481	19467	33017	16015	1684	29930	12214	35070	27312	33840	41113	39332	39698	8592	35323	38391	23300	67935	2549	2938	19366	3115	3593	2994	9711	4470	3048	38730	25688	22645	22282	16548	3736	11686	7355	14926	46949	5669	6403	34537	2461	8800	8852	9683	14981	19812	68261	3670	4835	5339	26469	32298	28748	42615	40076	2611	16149	16214	25855	17763	8368	8189	3108	10035	13007	26009	21111	28498	51434	24379	14663	37486	6719	5145	3632	19881	20101	8544	9291	8276	33720	25604	7805	0	36418	11032	3247	24136	16860	Peptide	0.2857143	1.4285715	0.2857143
12	C9 H14 O2	155.10666	155.10686	-0.029741282	155.10666	217245	258118	262056	262863	104919	170716	465299	276294	97979	48745	122599	187321	86964	530722	195541	401471	425089	122843	135883	57302	49359	55755	157819	121287	172573	133661	608363	121440	322067	321127	300822	425222	210889	345610	53988	356835	179340	248543	496512	33763	42060	253733	68537	72253	53484	62941	69824	50408	348814	235513	251628	256399	120305	115385	81189	125174	218986	281517	43333	69638	324923	35947	166249	70709	422348	196844	324766	545968	60956	67555	63561	296542	422792	391449	486695	438261	81027	222050	151601	127993	150073	107828	378972	616096	84955	157495	330844	142679	200076	334179	109378	65886	130233	48035	57661	70716	259515	253070	161891	102837	146996	243409	202521	50015	37317	188255	125104	44544	205470	121162	Lipid	0.22222222	1.5555556	0.0
6	C9 H14 O2	155.10666	155.10687	-0.08943149	155.10664	68017	87037	72047	82344	63578	108205	131184	100972	49200	36196	63723	50954	51822	206899	82741	101531	66911	63622	62878	31311	30230	53223	73545	72951	66337	63008	163850	146283	105648	94383	94215	116170	78967	95143	38936	114997	74338	71831	96295	14810	27201	133694	36301	26370	26330	51904	41768	24758	106854	79900	83280	81572	65011	29619	50118	55491	60519	105301	24204	32058	98880	17053	73141	29450	126137	67479	106846	101616	31370	36115	33545	71014	103171	119837	65667	86348	21610	48583	56080	345343	51733	55019	135439	355849	53189	78502	133227	66811	92400	144346	57390	49062	100705	87493	43035	26577	80281	82038	54569	56494	70873	96228	57067	33490	32997	87529	45262	24627	57949	44445	Lipid	0.22222222	1.5555556	0.0
16	C9 H14 O2	155.10666	155.10684	-0.04734951	155.10664	235389	230986	240889	233101	117899	226333	854652	265915	101500	86695	195615	254456	95082	662489	289528	266491	562480	153758	189363	82681	66286	78894	224463	169374	258371	208331	820739	251624	271539	564514	259837	339744	285966	238824	72217	326358	249651	272295	624160	59003	110905	362982	143723	80261	82510	141318	87115	85010	372273	272582	227715	240452	163887	133531	80575	258272	372465	317345	67273	141877	230168	84661	144206	87228	1069696	323405	400065	520566	209801	123675	113891	267142	314309	397029	332477	410570	106871	207330	209130	416986	145082	167290	449380	846414	135944	227083	429061	231628	290492	327028	159308	105844	165298	89080	85618	151081	237389	237100	355273	108739	203671	284638	184931	88370	72218	200369	139447	89869	277970	99576	Lipid	0.22222222	1.5555556	0.0
14	C9 H14 O2	155.10666	155.10686	-0.04777215	155.10664	225115	213344	222047	222928	184437	236975	639405	246957	96139	59374	104658	221474	163174	1172953	247336	255377	456666	147825	168907	69709	61195	84512	181453	125797	288061	166302	667060	171078	303181	258490	228045	356364	316162	265426	75261	309930	234724	235013	483356	37916	63294	304760	181937	54848	36377	69423	67648	51408	335922	185010	199234	176187	174971	67761	91321	133920	228670	328775	47799	100235	275393	37262	261840	97457	809758	298175	637330	412884	57859	81561	87355	214573	281745	305702	290774	301201	43382	216590	158661	256439	159564	129048	372028	954263	119510	176613	356028	172763	244267	251024	154451	82030	177555	43408	44102	81732	207106	214303	184375	113783	157777	266072	204444	77376	35360	219241	101364	48206	257235	129100	Lipid	0.22222222	1.5555556	0.0
8	C9 H14 O2	155.10666	155.10686	-0.060372494	155.10664	116262	133443	78769	117830	74870	75113	406269	95835	53346	48278	73702	76878	69103	459120	143791	120606	161905	61551	94416	59574	40011	53945	83696	60487	89986	296174	434460	123680	130519	106089	90625	150358	97122	105041	50323	128837	98505	144676	192150	30456	59247	121524	59897	34584	36176	61564	58204	40029	131018	100678	103320	118081	71223	41066	46115	134962	122404	97985	45640	65243	126861	69857	132933	38895	463192	98169	192983	167131	98067	105891	87626	84549	125776	142515	127052	149351	29816	72853	74856	167855	75883	129328	375486	1480623	126944	86253	144878	67436	110550	111094	65146	70312	77624	49779	41585	39245	112887	115403	144585	88620	93649	115318	76307	61682	34407	81776	80166	36871	102763	60592	Lipid	0.22222222	1.5555556	0.0
10	C9 H14 O2	155.10666	155.10686	-0.054930788	155.10664	237140	220245	207008	208557	154327	189153	425598	287508	90265	73250	106709	176643	111917	599785	294582	332789	395966	113790	185793	81551	64395	78791	181427	143486	214763	183539	465782	150212	352332	306579	271696	345774	273015	281593	68385	326583	230752	283207	441645	40160	60855	243951	133965	59361	43808	78911	60571	52444	343811	242036	225888	247596	151940	70527	84197	129971	155866	368237	49168	83671	344516	43510	177872	73064	370644	203174	334144	479500	80743	85412	73800	231177	289571	364556	391255	311344	52658	160304	146879	193489	140138	136300	300913	820202	121961	179000	308092	147039	207906	321826	142470	84125	160566	56538	57144	65105	213080	250701	174425	107052	136319	282805	171384	70684	32920	194443	113742	48665	188749	119014	Lipid	0.22222222	1.5555556	0.0
24	C9 H14 O2	155.10666	155.10683	-0.02517629	155.10666	89977	96041	98683	90896	73855	94469	443350	94329	55341	62431	51022	82573	65414	224731	101312	119213	156040	70086	93692	46630	40867	44213	75784	76372	86674	62998	367754	82942	107722	111823	80170	128374	136374	90168	42702	125414	121111	88859	180387	41679	46467	136270	84763	45098	59828	58253	47313	48841	153574	114141	94171	87357	72980	64897	70328	64809	112428	117584	45377	94364	113201	34641	91940	63092	194877	96901	128045	167725	39468	43147	50989	73943	75112	86913	96160	121040	54230	83376	80505	97776	66463	61123	169598	140213	81826	104154	96217	85248	121171	108862	135059	92544	83945	33153	48201	52127	94195	89917	75154	54067	118386	138560	81132	77966	49130	87123	78657	52915	98360	88322	Lipid	0.22222222	1.5555556	0.0
2	C8 H14 O1 N2	155.11789	155.11812	-0.02054568	155.11789	21658	22367	14592	14754	7826	0	0	19304	4480	2331	1721	6278	10297	13543	3827	49383	9412	11695	18548	4342	1192	34750	7116	55676	45768	0	39751	2918	24242	45743	21174	24170	34012	4242	2608	24852	29743	5914	21812	801	0	18539	0	0	0	6682	678	0	70652	31940	16313	18770	14103	0	3070	1821	4513	48246	416	476	52463	0	5376	0	2474	12296	19296	34475	0	1380	992	5120	13513	15094	67282	22872	0	13954	6536	2322	5927	0	948	445	2697	1146	9063	6008	21015	61360	4452	6976	75037	905	1086	0	17461	20044	2264	2225	2075	73224	6515	10158	483	42912	1403	0	9647	6925	Peptide	0.125	1.75	0.25
8	C8 H14 O1 N2	155.11789	155.11807	-0.005492184	155.11789	1571	0	1222	1001	1212	726	687	0	0	0	0	0	0	0	2830	0	1707	0	0	0	0	0	0	0	1806	2068	1456	0	0	0	0	924	0	0	0	0	0	2797	1321	0	1345	0	0	0	0	5770	9572	0	0	0	0	1107	0	436	0	41642	7248	0	0	1439	0	0	0	0	7105	0	0	1215	0	1891	3958	865	0	0	1061	1053	0	0	7537	2541	5896	6124	1312	0	10657	5717	4081	0	0	2349	0	0	1599	0	0	0	1363	0	3152	16724	17398	0	1099	0	0	0	14932	0	2261	0	Peptide	0.125	1.75	0.25
24	C10 H18 O1	155.14304	155.14322	-0.008624937	155.14304	5336	7605	4078	8084	4160	5490	17209	4396	2511	2908	32789	5053	3276	16726	5524	7296	12954	3006	4082	1700	2417	0	3706	7946	4626	2508	17599	67856	4100	6130	4174	7499	5526	5757	0	8292	4730	4167	9197	0	4732	7365	10391	5570	9060	2493	3595	7172	7062	6367	6118	5694	5868	6048	2571	5407	5814	5589	3982	8108	6586	1936	7570	4410	14123	11101	14311	11226	1485	2168	4128	4581	5338	6124	9860	5813	9615	5194	2091	13399	4780	29346	8205	3283	7845	3232	4134	6641	7344	7131	10017	19812	5441	2247	2460	6262	5789	7014	5178	4983	8658	6288	5075	5357	6998	5073	5383	7382	3956	3053	Lipid	0.1	1.8	0.0
2	C9 H18 N2	155.15428	155.15451	-0.035117645	155.15427	33909	33870	33221	37188	13960	140064	6465	27751	1837	15207	14690	3038	10460	128868	3708	71181	14583	27866	42967	15837	53479	8739	940	13096	6911	401	8142	25356	14040	13533	10420	13263	8271	5832	7508	14113	5349	3163	14372	2149	951	327292	5921	384	795	1580	18920	568	24554	14103	33638	37599	39693	3094	1384	6198	208840	56190	0	668	51742	315	3648	1022	235849	64413	269905	18078	0	5440	1013	10533	11302	11616	12851	16849	285	4410	1251	0	1039	0	664	869	29580	212106	1894	667641	305222	4105	1722	10322	30800	758	2551	7148	34860	37496	18292	13734	111261	6308	3430	2409	1233	20632	42830	1971	5499	2392	Unclassified	0.0	2.0	0.22222222
8	C6 H5 O2 N1 S1	156.01138	156.01158	0.028742343	156.01138	3435	3503	3633	5177	1399	2460	10743	11043	1189	0	0	9813	0	2214	6428	11942	17649	3393	3724	0	0	0	4366	3094	7029	0	7219	0	14025	19939	9958	22931	4686	21860	0	19648	7634	5192	19471	0	0	6588	0	0	0	0	0	0	17705	15942	3110	3780	3744	0	1013	0	2005	8145	0	0	14502	0	884	0	2332	1370	3158	17442	0	0	0	13436	18032	14784	15839	17276	0	11411	3349	0	1913	0	0	0	1244	0	8940	4161	6140	9418	0	0	1641	0	0	0	4568	5582	0	0	0	9606	9419	0	0	5902	0	0	8864	0	Organosulfur	0.33333334	0.8333333	0.16666667
0	C5 H10 O3 N1 Na1	156.06311	156.0634	0.09565972	156.06313	6214	5461	5519	4616	8805	28470	0	9366	5796	1616	0	0	31175	7193	2103	3119	0	36229	15419	2071	3672	8792	3576	4220	3769	0	0	0	15038	4314	9445	7861	19565	12755	15268	5266	20263	1628	850	2297	0	5403	0	0	0	1899	0	0	14272	2605	5753	4722	7652	499	12060	1041	1254	9451	3257	0	2447	0	5611	6678	1149	18173	18775	0	0	2672	0	9649	8155	4258	0	7941	0	3502	1183	0	1067	0	0	0	1761	1555	2050	7378	9412	2079	12839	8892	10084	0	0	0	6358	5356	1954	1205	1114	8244	0	2529	0	10461	899	297	0	40770	Peptide	0.6	2.0	0.2
6	C8 H13 O2 N1	156.1019	156.10214	0.028713718	156.10191	169674	195201	161336	182616	175610	119703	161767	158540	108867	83336	71234	85919	166924	183442	111538	238979	272570	197935	179364	66032	73581	113012	84615	173199	108272	14263	160187	67343	173507	155707	154994	190233	214656	199411	103288	174616	232199	119899	333929	29710	48319	118804	22884	13377	10671	83648	112170	8687	180677	122386	199044	184271	160242	10941	114845	86266	101652	292785	49502	124484	213160	30736	212552	79284	108398	228932	174281	356498	25787	38486	37678	142404	164650	199234	215103	170079	7567	83902	88040	67978	72871	63485	57835	55505	75295	109619	164842	156492	158306	298113	80801	85251	208305	38057	74098	8880	155350	173636	111433	103068	131703	206754	103638	70540	36428	196992	160416	8471	128583	214292	Lipid	0.25	1.625	0.125
4	C8 H13 O2 N1	156.1019	156.10216	0.012370637	156.10191	79959	97705	87865	94353	88230	63905	50826	59298	52369	40731	34048	42795	50360	68563	47185	83896	113339	88245	91403	39436	29938	61857	36090	53033	42250	9456	54517	25823	59982	53385	67710	71435	90548	67087	56544	72334	90149	52621	125022	33585	34370	110777	13516	10991	11267	54752	53787	11510	81315	50333	94176	65896	97401	13950	51518	44332	82784	92948	34261	85394	76002	22315	85942	53360	72791	84993	92062	109827	12888	29344	22873	57919	79779	85453	79627	75909	8097	39929	43667	14746	39195	28089	42829	94008	42409	79892	49455	112504	134965	103416	41994	39439	76690	17939	54612	13925	80471	84215	64519	41524	41196	73003	46955	50892	26008	66158	199242	10643	48232	82043	Lipid	0.25	1.625	0.125
10	C8 H13 O2 N1	156.1019	156.10211	0.075972795	156.10191	39168	37651	31970	37801	29227	36187	49777	55797	35466	8120	18365	35677	33360	49817	63010	75000	40615	43133	46492	10988	13788	25493	60360	50616	64649	5171	66925	34686	67220	82855	46902	59383	62179	55124	14114	68313	62465	67431	44881	8047	7155	42642	9415	9570	8813	18853	10143	9503	58540	46727	41408	43405	37720	9881	34210	23489	47647	81041	17474	12666	60034	4589	19911	22331	46166	40323	41886	47040	0	7472	7633	40878	47514	50025	93366	66735	8205	42875	49122	44142	46398	20232	23734	8752	26300	50553	92484	56041	41750	100809	63185	33200	113920	14027	9969	8890	41969	38335	53839	24960	32066	76991	53429	16995	0	57310	41724	8977	48784	34368	Lipid	0.25	1.625	0.125
14	C8 H13 O2 N1	156.1019	156.1021	0.11363655	156.10193	9875	11261	9914	12822	10664	44918	12748	11891	6893	3741	5382	9372	10667	11734	11262	8950	17213	13455	10764	0	1797	5961	8513	8439	10907	0	11458	9799	14979	13915	14850	14334	17094	14868	3012	14515	19134	8430	15471	2732	0	7812	5148	7743	7431	4124	0	8107	19665	10197	10035	14703	8708	7880	8209	6483	10305	17757	0	6359	0	2031	6006	7192	9286	13460	11518	19281	0	0	0	13769	14212	13862	13101	16640	6555	11553	9622	15672	10408	3282	7891	3720	7884	11438	13409	15086	13206	28110	31401	25967	23286	2625	3379	7805	10463	10675	7333	6717	7314	11754	11800	5386	0	13947	8078	7848	13655	12427	Lipid	0.25	1.625	0.125
20	C8 H13 O2 N1	156.1019	156.10208	0.08575665	156.10191	5921	4324	5408	5668	2414	1488	4058	3819	2031	0	1950	3341	0	4012	3726	3538	7591	2278	0	0	0	1531	2644	3244	3907	0	3011	0	3505	3236	2543	4456	4848	4570	0	3778	3906	3003	9685	0	0	3922	6101	6176	6077	4672	2969	7318	3338	2916	9667	8134	2975	5256	0	15654	27419	6588	1319	3202	4637	1490	3247	2198	390271	1838	1731	8024	1178	2114	0	3128	2697	3067	4650	5714	6105	1848	3959	2046	3511	2967	1311	0	89399	256069	8663	6959	4020	17946	4166	0	6856	0	0	5885	7059	7069	10991	23193	134081	3463	4650	1601	0	3682	182865	7615	6725	3819	Lipid	0.25	1.625	0.125
0	C7 H13 O1 N3	156.11314	156.11343	0.07286636	156.11314	3648	4410	4607	4762	9770	0	4818	8233	6412	3847	0	4676	5982	5605	4207	7779	14348	15895	15297	2977	4339	16248	6727	6782	6188	0	0	2521	6832	2941	11230	3633	14242	4171	4439	5126	9418	4833	17450	1703	1064	16202	0	0	0	2319	0	0	6975	2394	3637	4041	15743	0	4900	3319	9748	10825	894	1353	6516	0	7649	7483	10772	0	22025	17077	0	0	0	3270	5671	3566	4118	6061	0	3933	5638	916	4432	0	1497	0	10748	13698	6032	11807	15263	22507	0	4051	16157	0	1669	0	3107	3675	5403	3738	4304	8108	3479	2949	899	16463	13122	0	6423	12322	Peptide	0.14285715	1.8571428	0.42857143
2	C7 H13 O1 N3	156.11314	156.11339	0.0702203	156.11314	19594	19096	18735	19013	5027	15189	16121	46536	2360	2775	7771	19409	3857	15179	18206	11406	44899	9534	8493	1291	1271	15842	21780	11022	14632	0	1522	28940	47756	18725	45289	37324	39721	41249	1708	52334	40121	19485	54487	879	0	14068	0	0	0	4134	715	0	31656	24655	21165	17929	8973	0	2371	1173	3899	51811	0	0	15373	0	4216	3128	3592	10165	24748	49968	0	3807	1679	49113	56868	33271	7681	48628	0	22878	20829	33535	15185	0	0	597	2222	3296	35782	15910	21987	69569	12569	2848	63046	4030	771	0	21571	18786	2290	912	1139	12835	19234	627	338	60103	1311	0	22750	4566	Peptide	0.14285715	1.8571428	0.42857143
16	C9 H17 O1 N1	156.13829	156.13847	0.10232141	156.1383	4046	3931	6036	3446	110046	16831	6645	2612	1481	7332	7124	6034	0	7238	2763	5239	6565	0	0	5274	3278	3044	1692	2983	1705	0	7299	11407	6848	10523	6791	4134	5032	5892	5219	6950	4933	1669	7165	3209	3840	4072	10453	8452	9197	4499	4051	8309	7240	3905	5006	5912	45995	8789	0	1247	3694	5666	3868	8600	0	1687	0	2227	2853	5266	6731	3615	0	0	0	7244	8880	13830	3450	14287	9997	3716	0	17636	1405	10637	5627	2325	2285	2937	3477	4393	3448	0	11634	7859	0	5107	5271	8708	5114	3888	9769	1933	1578	3189	4174	3775	0	0	72848	8691	4188	0	Lipid	0.11111111	1.8888888	0.11111111
10	C9 H17 O1 N1	156.13829	156.1385	0.18057619	156.13832	2538	2464	1583	2018	38291	15695	1077	3374	3392	0	1395	0	0	4673	2595	4759	3153	2212	4171	0	0	0	2268	2053	2026	0	3479	0	2981	1929	2763	4378	1314	4512	0	1828	1265	2307	3132	0	914	36791	7993	5881	5572	0	0	5970	3423	1772	2334	2598	31239	5609	3341	2195	22707	5177	0	0	0	0	1126	3204	21512	16915	51310	2241	0	2137	0	2045	2872	1281	2515	1812	6441	1530	1082	0	1953	1095	1065	970	4391	7613	1148	3636	4094	0	0	0	0	1259	0	5307	1845	2005	12112	844	1377	0	2015	2493	0	1698	23892	5998	1691	1337	Lipid	0.11111111	1.8888888	0.11111111
6	C6 H4 O3 S1	156.99539	156.99573	0.480102	156.99547	715	0	0	0	855	602	0	0	1532	0	0	0	636	1704	0	0	0	21000	2640	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	462	0	0	0	0	0	0	0	0	0	0	783	0	896	0	345	0	0	0	0	0	1111	0	622	1464	0	0	0	0	0	0	0	0	0	0	0	0	512	0	0	0	0	0	901	1138	1050	0	591	0	0	0	0	0	0	0	0	0	794	0	0	0	0	0	0	0	0	0	0	2158	Organosulfur	0.5	0.6666667	0.0
10	C6 H8 O1 N2 S1	157.04301	157.0432	0.11152761	157.04303	3106	2833	2130	2375	0	2090	6451	4087	0	0	0	4173	0	0	3744	7603	4691	0	0	0	0	3478	2349	3273	4690	0	15344	0	5529	4014	3653	8284	3720	9320	0	6256	2822	6321	14595	0	0	1779	0	0	0	0	0	0	6109	6466	1536	1961	797	0	0	0	1219	5853	0	0	9976	0	0	0	1604	0	1261	11888	0	0	0	6975	6874	5729	7839	7991	0	3378	2845	0	3432	0	0	0	0	881	4283	3753	2912	22551	0	0	7097	0	0	0	3430	2729	0	0	0	4997	4891	0	0	5326	0	0	8138	0	Peptide	0.16666667	1.3333334	0.33333334
0	C5 H9 O4 Na1	157.04713	157.04744	0.17982464	157.04716	14425	13569	13751	11746	1237	0	3160	3349	824	7442	5062	4097	0	0	2130	35745	3051	0	1808	5835	848	3540	1153	30391	1599	0	10871	698	890	18445	0	12105	0	4437	0	13439	9944	2044	1892	1801	1766	2412	0	697	0	5371	3547	936	20213	22321	12043	12127	0	652	801	0	1536	9885	1121	1442	35909	0	0	0	718	0	0	5130	710	0	3673	3461	9390	7789	45068	10789	454	1482	4577	0	2758	1007	1630	2415	666	0	2899	2001	1640	1199	2291	2230	8997	1364	5884	2112	13225	12494	1170	617	1354	28035	0	15472	0	5225	688	1219	4027	0	Carbohydrate	0.8	1.8	0.0
8	C8 H12 O3	157.08592	157.08614	0.013953298	157.08592	187891	209730	172298	191096	191627	201751	276094	244627	142691	90201	125983	171895	251741	428825	190563	275164	255696	240863	249424	97744	75309	89903	183125	152223	173190	82561	284135	158435	294968	290489	252529	321267	244562	311083	111726	311617	247394	169549	297488	42910	49413	237916	81829	46464	54523	96566	63292	50156	305488	230910	167325	183052	171867	64856	139618	114128	145381	267815	50816	61091	257326	32001	210738	141400	359051	335267	323131	256060	85280	67818	71945	303274	303620	312444	250243	329150	43230	191030	142834	266665	128730	107530	153750	378072	129895	163465	243782	193564	214920	176116	136948	100812	147230	67343	54521	50937	184201	193830	140118	154612	187375	248684	174171	79243	35617	178440	125634	46392	153434	208783	Lipid	0.375	1.5	0.0
0	C7 H12 O2 N2	157.09715	157.09744	0.012709576	157.09715	10126	11846	9108	10409	36943	35446	4293	25107	34171	2910	2863	6019	53122	35293	12676	14196	12424	43999	34917	6480	13772	24800	20984	16815	31362	2017	2361	9503	41784	7097	33316	12888	80603	17874	13633	14547	21876	10619	22729	6059	1389	15796	2080	1886	3108	10328	0	2036	19533	5275	7055	9220	38431	2114	39873	13206	10352	32295	5604	2334	16113	1157	56432	16334	14412	33906	52600	11724	1795	9319	1282	14225	18291	11828	4043	16383	2155	10640	10968	43867	9839	3958	3273	1517	16156	15795	17888	23486	31082	21362	58078	27300	23291	5628	3336	1894	7886	8942	20656	13444	9492	13954	12115	5909	2197	35242	23052	1964	10031	84564	Peptide	0.2857143	1.7142857	0.2857143
8	C7 H12 O2 N2	157.09715	157.09737	0.034562815	157.09715	9704	10975	9046	9717	6518	6282	6984	14392	5414	2836	11289	7732	5421	9822	5572	18596	12086	7673	9195	1045	902	5565	7632	10420	4490	1372	8386	70259	17363	10889	16370	23377	12146	23434	3642	17575	14035	7808	18288	0	1185	8666	1338	1415	1170	3133	1445	1273	19001	7698	9349	11212	8327	1389	3672	2664	4427	17061	0	1259	14714	0	6257	3093	3625	11268	9433	16830	0	1577	0	19280	25635	14733	16597	25763	1131	6166	6827	56834	5974	1925	1857	1030	2020	4083	10099	10045	10983	15457	52522	17346	11295	7789	2455	1541	9795	11095	4088	2761	3767	13431	9536	1829	0	16059	3741	1306	7437	5135	Peptide	0.2857143	1.7142857	0.2857143
2	C7 H12 O2 N2	157.09715	157.09741	0.07119566	157.09717	16298	18674	16169	16054	15916	0	10656	19539	16108	6928	7859	10274	14681	9503	10673	23563	40654	20783	20065	4723	3826	15755	8940	23312	9334	1200	10519	13086	15416	18337	21040	17888	25027	19952	10604	15822	26144	10821	29642	3013	2146	21996	1822	1474	1641	6408	3444	1503	21086	15464	14138	16886	17911	1872	14234	6955	16916	23721	2365	4757	20651	1269	13762	9704	15775	22018	17351	31766	1599	2720	1271	18894	17861	12073	25056	18371	1430	7921	9774	50382	10683	5758	3272	1486	12147	17790	9422	30906	23794	20484	54740	31911	29525	9425	2698	2383	14950	17407	15903	8233	11169	24729	12794	5850	2574	29257	15935	1540	9604	23985	Peptide	0.2857143	1.7142857	0.2857143
6	C7 H12 O2 N2	157.09715	157.09738	0.07720642	157.09717	4727	5490	3083	5062	6492	3889	4279	4644	4302	2087	2279	2712	3866	3316	4160	4768	6682	6567	8081	1795	1952	3760	3157	4632	2725	1425	4527	5004	3804	2781	3650	5199	6760	4182	2074	3204	6422	2874	8317	1659	1057	3904	1335	1097	1143	2620	2015	1267	4366	3756	4581	4611	4646	1471	4344	2997	3210	7001	1795	2648	3687	0	2809	2695	2583	3581	3224	7184	0	0	0	3205	3998	2798	3054	3087	1258	2847	3005	40412	4179	2614	3105	0	4273	4260	5891	6497	5126	8189	30301	6395	8183	1571	1440	1694	2701	3571	3798	4184	4104	5057	5494	2417	0	3667	5954	1420	4192	4849	Peptide	0.2857143	1.7142857	0.2857143
10	C7 H12 O2 N2	157.09715	157.09735	0.088930555	157.09717	4080	4649	4531	4656	3575	2240	4514	5431	3085	1836	2946	4664	2432	5032	4452	7072	5679	2934	3470	1350	1429	3243	3472	9332	3035	0	5234	10114	6992	7314	7377	12054	8091	8184	1249	9349	8612	3762	12082	0	0	4463	1369	1203	1216	0	0	1591	7887	4822	5362	3429	2661	1340	2419	1368	1781	10021	0	1648	0	0	2235	1452	2169	4203	4425	12142	0	0	0	6437	8433	8525	7900	9625	1514	3343	2826	9977	3561	1815	969	0	1037	2212	6131	5870	6200	9681	32906	9254	8385	0	0	1543	4936	5232	2074	1978	1237	7853	3732	0	0	7229	1642	1630	5197	2287	Peptide	0.2857143	1.7142857	0.2857143
4	C7 H12 O2 N2	157.09715	157.09741	0.0498259	157.09717	8563	10232	9525	8968	20348	9041	8212	7838	18268	2657	4553	5652	11170	7887	5253	12173	18103	18702	16560	2780	2921	11216	5530	8305	7124	1408	6598	10126	6850	6039	8120	8558	10485	7594	4573	7753	9974	6659	19735	3369	3203	12440	1788	1546	1547	5020	4065	2116	9762	6915	9313	8891	16857	1365	11556	7368	11026	10564	2478	4203	10823	1302	10971	9755	8595	12272	10513	17403	1899	2317	2628	5934	6851	6526	9204	7078	1214	4397	5863	55796	5250	4600	4401	1382	9053	12262	8832	14363	11536	13580	48688	15665	14730	8428	3146	2657	10181	10526	15533	6982	8308	8465	7812	6002	3373	10395	17840	1737	7506	16297	Peptide	0.2857143	1.7142857	0.2857143
14	C12 H12	157.10118	157.10138	0.059296396	157.10118	53323	61310	46214	57422	46549	29648	50330	61557	42109	43519	30009	41775	45630	33497	41426	67419	72350	44917	46686	59560	52462	53321	42730	49283	43292	40585	59013	33157	54758	59943	55464	62735	64643	45520	51638	63531	57174	47876	83261	40039	40232	41864	2772	2245	1763	38649	41769	2668	65981	53404	45607	43649	39575	2038	47825	37949	40235	79227	33172	43779	43093	24544	46029	36813	28938	44385	39265	82218	25864	46937	49733	35670	48004	52429	57794	67430	1614	37145	60117	49121	51449	38565	57735	44652	47201	34542	73742	38278	40422	115313	62820	49209	92588	29569	42028	3020	58810	48214	40812	68161	74508	62480	42051	53755	0	57493	36468	2045	50252	39633	Phytochemical	0.0	1.0	0.0
22	C12 H12	157.10118	157.10136	0.015591387	157.10118	63721	78071	48395	61360	69485	50534	64001	85653	45261	36820	34935	51292	40019	51113	74680	102323	96755	53340	54752	49929	52022	80633	62760	80618	85232	31108	56409	33582	82064	81743	71194	85895	92527	77257	54516	84788	81851	66433	94866	32040	37861	82514	6054	3486	3580	39071	36213	3835	85960	79162	63528	58194	57975	3492	50061	39973	48859	100296	42298	46424	88058	26250	47701	40219	37874	58535	59560	96747	19920	35909	37953	60683	61182	74142	78637	89716	2660	53576	77907	46118	51727	36906	44535	34482	48929	48265	93919	54800	64741	165105	88329	72551	133177	35956	57500	4256	48505	67751	57278	60962	58288	103198	67880	65386	30526	75849	50853	4420	74861	51530	Phytochemical	0.0	1.0	0.0
20	C12 H12	157.10118	157.10136	0.02153023	157.10118	62763	91126	64988	59969	72952	51052	63953	94027	58116	53525	36453	57928	60420	65223	75451	111762	92757	66528	75387	63168	52327	77425	53610	81844	71634	28080	72433	37963	80765	80747	66583	93295	99046	73844	57151	83282	98233	61124	100689	51739	39012	70855	8690	4839	3091	46161	48195	5471	82455	68708	67418	85146	61438	4138	53539	51387	55013	114558	52032	56192	94691	25080	54467	49736	41340	64221	67286	96569	26882	42771	42902	62737	77305	89399	106826	91774	3017	58299	83964	59674	56177	36060	65949	34833	56717	46406	95665	59970	68294	169852	108717	91181	133842	42360	59240	6819	60710	73416	53732	71280	81603	102318	66709	71524	28542	76120	53664	4599	75541	63711	Phytochemical	0.0	1.0	0.0
8	C12 H12	157.10118	157.1014	0.066190295	157.10118	12193	16720	8126	16149	11582	7491	12897	15936	12129	9145	8939	11280	9676	5938	11149	15483	18545	8429	14949	13185	11253	17997	12993	16035	11203	8135	12367	6099	13712	13857	10331	14932	11994	10397	14660	13615	13165	12489	20052	11419	13204	8742	2303	1335	1866	11306	15088	2344	14672	12165	12516	13329	8472	1442	14620	10412	10826	15201	13169	13042	13887	7307	9873	11097	6707	10122	9494	17135	6910	7847	11318	12035	11977	15179	12059	16567	1682	8298	18824	0	14478	14318	14663	9653	12396	9067	18320	8790	9768	29730	11001	13007	20644	11935	10300	2343	10637	14950	10337	22740	15927	15523	10972	12628	0	10778	11728	1567	11703	10093	Phytochemical	0.0	1.0	0.0
28	C12 H12	157.10118	157.10136	0.07402681	157.10118	8928	9016	6456	7229	9030	6097	8866	12067	7271	4001	3973	7254	5534	6689	10221	9764	12747	6969	8596	5538	5204	9527	7331	8296	8592	5222	9211	5856	8940	10834	10019	14016	13984	9193	5504	12877	10563	8954	11851	6217	5889	8341	2107	2546	0	3843	4269	2994	9847	10662	7548	9870	7966	0	4728	5634	6266	16717	6790	5801	11716	3382	5893	5537	5245	7364	8178	13131	3884	6022	5154	7426	8854	9779	8511	12154	0	7687	10530	6316	5968	6477	6907	5481	6375	3899	17864	6758	9147	17102	11185	9085	20275	4942	3908	2815	6775	7623	6607	10022	8903	14292	8000	6959	3704	13107	6042	3010	8117	5397	Phytochemical	0.0	1.0	0.0
12	C12 H12	157.10118	157.1014	0.065709	157.10118	37848	52239	34853	46613	32868	19902	31427	45738	25656	27618	21157	24882	22936	18105	32142	61083	54052	29120	42896	37439	33835	50606	28362	43471	31806	28553	45265	17334	43978	40321	37961	49939	50768	35111	42517	41007	41363	34351	54378	31424	38951	26761	3359	2591	2123	32080	36358	2698	48431	41228	43179	47738	30004	1764	32639	25613	22561	54567	23867	37755	45358	20402	35205	25148	17352	28666	25168	50722	23594	39361	40118	27870	36430	41198	50516	44460	1206	25486	39018	18890	44574	30481	40819	26041	35778	24528	47672	21985	26600	83708	49188	39228	62905	22477	39511	2683	50333	47444	29283	38827	41505	45896	35788	38837	22657	43763	33553	2012	34484	28607	Phytochemical	0.0	1.0	0.0
16	C12 H12	157.10118	157.10138	0.033379987	157.10118	50987	80745	56960	58265	54452	38636	68113	74485	50636	54189	39404	54570	54887	39692	68013	82229	91467	59202	73264	69707	62759	77481	54083	69502	49004	39679	70131	30469	59054	66292	57886	77181	78566	53747	57453	67837	68468	45563	91313	41423	51616	46220	6084	2488	2287	45192	45358	3086	86101	72176	70453	66944	48670	2523	56204	54292	47728	97978	43860	56473	73291	28710	49720	38193	31396	51764	48985	83483	30945	57556	57141	54377	53636	72010	80475	91232	2384	37518	69432	50543	52379	43922	61244	55336	55917	44064	81381	45931	66477	152190	72158	66324	81622	41465	58714	3833	60432	56788	46894	68681	80495	80153	45271	62297	27438	80716	44721	2436	60026	53226	Phytochemical	0.0	1.0	0.0
18	C12 H12	157.10118	157.10136	0.023201242	157.10118	75405	95718	69282	58499	67806	46081	73345	97222	40377	54016	40374	53875	66564	57436	66383	94384	94135	73148	69541	75795	54816	75698	59165	79354	63413	33260	67060	43537	70021	79990	74515	90932	91671	74838	59505	72644	94603	56361	100951	52296	50718	54359	5736	2078	2912	47658	47472	3259	78629	70146	69634	71345	52661	3099	67342	52579	49209	110743	41746	51225	85270	31427	60708	49571	42219	61115	59859	117805	32942	41497	46990	59011	56457	80506	93016	81343	1963	49255	79770	57770	64881	45783	55657	41464	63935	52900	86679	54503	69586	153341	102009	80173	132077	40589	62467	4270	74588	77405	54275	80064	78303	94414	55303	70205	25692	65804	54565	2690	77033	50216	Phytochemical	0.0	1.0	0.0
24	C12 H12	157.10118	157.10135	0.028530922	157.10118	53740	62337	46217	51173	49141	39270	44416	67860	29069	28633	28162	46067	35595	39428	81290	97436	91750	40079	57527	39519	39720	56303	58971	70240	80884	26829	45174	31623	53634	67168	56189	73879	82209	51923	45756	78312	68758	62366	84815	32894	30882	76438	5848	5653	0	30945	27669	3936	64637	64832	52845	50670	40855	0	36838	28332	38184	93272	36870	34311	81776	18693	36230	35055	26690	39993	50247	77974	22035	24899	30190	49459	50956	59521	59750	73007	0	47167	82401	46208	60439	33203	39375	24857	38050	33070	110846	41990	46415	161089	75095	64509	120010	30230	46306	4672	50350	55337	39547	39560	42118	84746	45742	54244	23232	70971	30066	3479	79591	34732	Phytochemical	0.0	1.0	0.0
10	C9 H16 O2	157.1223	157.12251	0.085314125	157.12231	3587	4642	5543	5501	3976	5931	11994	7412	2392	1907	3493	6049	1880	15923	8939	10030	7077	3124	2758	3303	1256	1466	4315	4202	9480	8473	16168	7015	6381	6119	7795	7138	3822	4782	2630	6436	3308	8771	6227	1657	1667	5726	8576	6937	6459	4021	0	5840	6623	8078	5675	5738	2074	7745	2621	3321	3216	7341	2925	2794	12049	2578	3529	2658	16657	3453	5312	7006	0	3636	2454	4205	7034	7372	8940	5307	6650	6008	4419	13716	5521	5896	11701	53278	5149	9014	10494	3561	3939	5893	3847	2952	2235	3725	2272	6397	6761	6792	4292	3000	4406	4971	5839	3135	0	4140	4171	6825	7169	2441	Lipid	0.22222222	1.7777778	0.0
8	C9 H16 O2	157.1223	157.12254	0.07780892	157.12231	4630	5336	3760	3495	4836	3905	12361	7022	2037	2523	2746	4291	4800	26619	5657	7051	7589	1832	2547	3149	3111	2722	4507	4643	6622	11182	7889	5788	6548	5793	4954	7337	3636	6850	2176	7311	3619	5414	6438	1746	1685	5079	10241	5058	6116	3895	3720	5674	7231	7167	5183	5656	3046	7623	2156	3623	4083	5997	2749	2849	8718	3055	4587	1849	10767	4042	9380	6090	3947	4406	2130	5315	5341	9962	4788	6922	5813	5290	4136	5855	3937	6701	17397	91488	2849	5802	7268	3555	4987	4011	0	0	2800	2321	3011	5442	4655	5999	4106	4804	6849	3153	3020	4712	0	4278	3783	5848	4845	3684	Lipid	0.22222222	1.7777778	0.0
8	C8 H16 O1 N2	157.13354	157.13373	0.27407527	157.13358	1243	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17957	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	765	846	0	225	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	70579	0	0	0	0	0	0	0	0	0	0	51612	20184	0	4665	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.125	2.0	0.25
4	C8 H16 O1 N2	157.13354	157.13371	0.11251383	157.13356	724	976	685	890	324	494	0	0	0	0	0	0	0	0	0	0	0	563	0	0	0	0	337	0	0	0	0	3937	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	678	557	0	0	0	0	0	721	0	0	0	0	0	0	0	273	0	0	0	0	0	0	0	0	0	0	0	273	0	18119	264	0	213	0	0	0	475	0	0	374	79036	40340	458	2158	0	0	0	935	0	315	0	0	0	0	0	327	0	0	0	0	Peptide	0.125	2.0	0.25
2	C8 H16 O1 N2	157.13354	157.1338	0.13029152	157.13356	9912	7637	7150	6508	2771	0	779	3438	1406	825	7059	1102	1796	949	2085	7370	1858	4058	7407	948	384	6787	1894	9765	4224	0	2476	51559	2993	2573	2747	4007	4548	2428	762	2345	4830	1859	3250	308	0	5208	625	0	0	1664	369	0	5292	3109	8082	7575	1895	0	1338	507	845	9952	300	463	6410	0	2294	1022	0	3441	2585	2766	0	415	0	2636	1939	1688	7415	2532	0	1106	2530	119201	1798	0	0	0	1836	858	3121	2452	4360	14937	184457	132569	13293	30228	1308	0	8727	6102	1258	1945	1617	4641	1600	2578	0	5857	768	0	2142	2421	Peptide	0.125	2.0	0.25
10	C8 H16 O1 N2	157.13354	157.13377	0.3242127	157.13359	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4777	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1417	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31134	0	0	0	0	0	0	0	0	0	0	47922	17567	0	981	1293	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.125	2.0	0.25
6	C8 H16 O1 N2	157.13354	157.13371	0.2943834	157.13359	772	1224	836	1031	0	1066	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11148	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1285	1210	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	90680	0	0	0	0	0	0	0	0	0	0	65717	23359	0	3472	0	0	900	627	0	0	0	0	517	0	0	0	0	0	0	0	Peptide	0.125	2.0	0.25
12	C8 H16 O1 N2	157.13354	157.13373	-0.059810095	157.13353	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5775	0	0	0	0	0	0	0	45681	0	0	0	0	0	0	0	0	0	0	0	246	0	0	0	0	0	0	0	0	10324	0	914	0	0	8716	3831	0	0	0	0	0	0	0	0	10929	0	0	0	0	0	2172	0	0	0	Peptide	0.125	2.0	0.25
0	C8 H16 O1 N2	157.13354	157.13382	-0.054934874	157.13353	6463	9908	7389	8670	19234	17596	6201	11350	12135	3514	4562	6342	12151	10359	5732	7919	21348	33405	27131	3908	8273	16603	10990	10409	8504	909	2187	61365	14736	4177	14251	9483	23551	7559	6825	6834	12743	8595	24585	5532	3001	17563	0	724	0	5664	2102	652	9179	4791	5820	8395	27143	490	10358	4124	9497	24205	3658	5958	9300	1558	14404	7588	13676	11329	29452	22550	750	2687	0	9136	9968	5549	2859	8097	815	5545	12896	149354	8376	1285	5048	0	14928	13466	18630	18334	18199	30111	65929	42132	33324	21922	3585	804	7975	9022	8937	5368	7548	6169	4542	8163	1547	22328	14188	1002	12213	20899	Peptide	0.125	2.0	0.25
6	C9 H20 N2	157.16992	157.17014	0.16510239	157.16995	0	1744	1529	1832	0	830	57131	0	0	0	0	747	0	754	0	23254	0	0	0	0	0	0	0	0	775	0	24997	0	1541	0	48543	0	0	0	0	0	0	0	0	0	0	9223	0	0	0	0	0	0	0	0	1439	2061	974	0	0	0	3680	10406	0	0	22002	0	0	0	971	0	4370	0	0	0	0	0	0	0	0	0	226	0	0	0	0	0	0	0	0	11450	0	0	0	0	0	0	0	0	0	0	2410	1553	444	0	2136	0	0	0	0	0	0	0	0	0	Unclassified	0.0	2.2222223	0.22222222
0	C5 H4 N5 Na1	158.04372	158.04402	0.021215547	158.04372	0	0	0	0	0	0	0	3496	0	0	0	0	0	0	0	23460	0	0	0	0	0	0	0	0	0	0	0	0	757	6308	0	4595	0	3892	0	4228	0	0	0	0	0	3271	0	0	0	1604	0	0	8793	0	0	0	0	0	0	0	0	3485	0	0	4044	0	0	0	0	0	0	0	0	0	0	8812	27397	7978	0	11117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5142	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.0	0.8	1.0
2	C10 H7 O1 N1	158.06004	158.0603	0.12787773	158.06006	8663	10296	8208	10983	1309	0	1463	3581	869	13782	5464	1246	1116	3807	1867	2792	1599	2053	2352	2991	381	2934	3049	8926	12892	0	7902	7902	3457	3253	5524	4381	11766	3975	4362	4097	13919	1780	4760	447	0	3869	0	0	0	1892	406	0	5032	2200	10619	10245	3538	0	1012	459	1354	9511	0	207	2859	0	972	1082	0	4585	4549	8183	0	792	467	2351	2292	2883	1648	3870	0	2690	4698	0	3943	0	0	0	416	923	4425	6024	8707	8856	0	65328	10849	2139	1406	469	7958	6925	4835	895	641	9294	1510	635	0	10385	809	0	3201	1142	Phytochemical	0.1	0.7	0.1
10	C10 H7 O1 N1	158.06004	158.06023	0.14509043	158.06006	2388	3267	1918	2450	0	1371	3904	1744	850	0	15272	1812	0	0	4000	1863	4283	0	1392	0	0	0	2996	0	4449	0	8827	17220	1018	0	1868	0	0	1035	0	0	0	3662	4327	0	0	0	0	0	0	0	0	0	0	1031	2061	2676	768	0	0	0	1114	0	0	0	0	0	0	0	2133	1076	1099	4956	0	0	0	1089	0	0	2227	1229	0	978	8234	4910	6017	581	0	0	0	1468	9357	956	1131	3890	20066	25413	7829	1670	1154	0	1990	2494	1261	775	1236	1787	1825	0	0	3042	845	0	6281	0	Phytochemical	0.1	0.7	0.1
0	C10 H7 O1 N1	158.06004	158.06024	-0.2651095	158.06	0	0	0	0	0	0	3721	0	0	0	10995	0	0	0	2143	0	8305	1483	0	0	0	0	1912	0	0	0	0	84078	724	0	0	0	3943	0	0	0	0	1819	3392	0	0	0	0	0	0	0	0	0	0	0	0	0	3810	0	0	0	0	0	0	0	0	0	0	0	1543	0	4773	980	0	0	0	0	0	0	0	0	0	1105	3314	6400	2544	0	0	0	0	2288	2307	3681	0	0	0	0	0	0	0	0	0	0	318	0	0	0	0	0	0	0	0	0	5855	0	Phytochemical	0.1	0.7	0.1
4	C7 H11 O3 N1	158.08118	158.08142	0.028646184	158.08118	72709	91162	77581	80912	90476	89659	49144	95178	64767	30620	40894	58775	83777	67871	51632	103316	139006	128085	92671	31983	25865	61917	56288	71897	46990	9229	58215	36726	99350	77096	105808	103957	113229	115100	47141	93848	103730	57731	159574	20598	15009	95340	19435	15494	18298	35831	20666	19863	110161	76502	84728	54391	98067	16381	57679	40097	66738	122433	19156	22471	111587	9759	106434	56784	56816	114306	77264	144032	12872	16812	16546	98812	97694	106082	78370	107287	13812	54178	53561	29075	51423	31589	28087	19432	52583	57906	81098	119047	123489	100822	42212	31725	91514	19623	22424	25612	77316	77480	63328	45688	50506	96033	64797	33548	20941	94960	54577	18307	58077	117204	Peptide	0.42857143	1.5714285	0.14285715
6	C7 H11 O3 N1	158.08118	158.0814	0.06785882	158.08118	82475	103189	75765	90226	153132	175495	47945	128887	88522	39512	56467	65839	158538	115110	88681	111000	86525	194028	140082	49709	36728	80310	78074	95818	59758	8130	41833	153237	136363	121178	135952	132937	146433	138114	60474	107406	156331	66947	94720	28261	12958	106034	22612	16194	16180	50050	21023	14370	106735	98761	101283	95712	148016	17551	93063	47911	69339	120484	24144	19069	115791	10516	165350	57103	67310	210717	184028	121012	9828	20442	13696	136260	140083	146436	56992	140653	12493	54882	41305	101928	41691	30385	26058	14021	58518	82555	98102	104489	154006	113177	151832	160310	112777	46032	25769	16367	92710	80222	70576	35689	47778	133317	75468	35625	22742	123211	56214	14604	45366	203981	Peptide	0.42857143	1.5714285	0.14285715
0	C6 H11 O2 N3	158.0924	158.09267	0.025043389	158.0924	0	2788	2196	3207	10285	0	0	7849	5542	0	1693	0	12286	6044	1766	0	4441	6590	10825	1994	3663	12344	6897	3924	5320	0	0	6585	11872	0	12698	4205	16509	4400	4341	1932	4612	2970	4240	2432	0	3286	0	0	0	5504	0	0	4210	0	3436	0	10082	0	4909	3149	1509	9033	948	1305	2556	0	13232	4430	3683	8385	12615	3596	0	3781	0	3780	6030	0	0	3315	0	3884	3716	7654	2426	529	0	0	2776	1918	5195	5352	0	12709	5937	7113	6763	2433	0	0	0	2634	3307	2250	3203	0	6653	0	0	10847	5166	0	2511	22851	Peptide	0.33333334	1.8333334	0.5
0	C8 H15 O2 N1	158.11755	158.11784	-0.052274864	158.11755	26673	26693	25236	21286	43292	36570	8432	42321	31723	31782	6303	10376	54127	148285	12736	22301	15668	53728	52012	13569	26915	36213	21174	19916	28052	2912	6521	18356	92616	18458	51242	39397	88463	29654	20945	41852	37686	10568	22615	12837	4125	36714	24044	2975	3240	18259	4426	2779	41788	16533	20501	21597	47186	3713	26301	31085	14022	83911	10073	6650	44362	4251	47032	22133	36205	41142	161301	19073	3538	16702	4264	27022	48464	39341	4160	47969	3659	19798	14171	7679	7470	5231	5293	3233	20026	17854	39991	33315	45996	43259	41546	45261	41484	4810	13041	3449	20471	24721	30641	26812	21138	23660	12927	23635	5181	58570	33457	2659	13621	72108	Lipid	0.25	1.875	0.125
22	C8 H15 O2 N1	158.11755	158.11777	-0.014473276	158.11755	3740	3326	4273	3638	2514	7982	0	2234	0	4996	0	0	0	0	1259	1640	0	0	0	0	2505	0	0	0	0	0	0	0	1314	5529	1077	5247	8259	0	0	4202	0	0	0	1559	0	6545	2472	0	2360	4838	4010	0	12253	27817	3490	3385	0	9561	0	52727	43569	0	0	16477	2088	0	3441	0	387429	8159	1784	3369	0	0	0	0	0	0	1054	11654	2548	0	0	0	0	0	0	0	14849	416744	0	9074	0	1440	4156	0	4557	0	10161	0	2509	2531	6347	0	12454	2128	0	0	0	0	19589	0	0	17744	Lipid	0.25	1.875	0.125
4	C8 H15 O2 N1	158.11755	158.1178	-0.003958252	158.11755	4675	4946	3424	4657	5802	4632	3127	3637	3560	3376	2344	2361	3134	12220	2481	4650	5942	6590	5456	3186	2390	5282	2578	4797	3159	1419	2897	3117	3097	4250	4048	3980	5487	3538	5267	4240	5509	3537	6918	3042	3103	5265	2659	2123	2384	4610	4263	2421	5671	4672	4405	4010	5049	4301	3879	2859	5938	5394	3011	3799	5335	2026	5257	2771	4376	6703	5819	5024	1520	2427	1961	3262	4046	5667	2804	3490	2365	2839	2959	0	3481	4356	3703	3150	4356	3574	4409	5839	5807	5778	10691	7007	5455	3773	5748	2931	4037	4404	5439	3753	3476	3802	2794	4088	0	4779	21513	2632	3374	6939	Lipid	0.25	1.875	0.125
6	C8 H15 O2 N1	158.11755	158.11778	0.021953434	158.11755	21929	25482	20359	24431	24565	23866	19078	21610	12361	21291	15418	11342	16687	132781	12425	32678	29419	24160	17421	12811	12926	17580	10561	17890	13176	3916	22624	41262	25297	24889	25273	31016	32191	30830	18398	28870	27376	13099	37055	7600	7896	22913	5831	2488	2003	19070	20024	1943	32870	23070	25328	24744	22587	5343	10564	20223	14188	34134	10664	23930	32389	4875	29544	6934	47904	33167	71738	34424	4151	10544	6549	22582	29757	40646	24196	28086	2101	11691	9774	34852	7389	13038	12194	10195	8740	16012	23808	20298	19015	33408	61291	35329	29339	12716	18489	2442	24061	21318	15383	7207	11520	24453	14343	17422	8732	21263	20634	2475	14313	39887	Lipid	0.25	1.875	0.125
2	C8 H15 O2 N1	158.11755	158.11781	0.06970753	158.11757	17745	18353	15837	17799	35401	24785	5835	8169	14101	9442	9534	6569	46740	207030	5803	7319	11917	23146	26810	16167	12666	13441	5949	7876	5995	2507	3820	7645	10200	7856	11560	12475	17512	9472	10135	10313	19982	4277	13169	5965	5316	38782	35484	2762	3509	6601	6442	3028	12732	9926	18147	15678	22476	5883	10894	30358	15345	16647	3242	8118	10455	2528	33951	9801	0	62342	133777	22804	4333	15303	11011	9883	10869	10880	5555	8623	3361	7243	5395	4352	4263	6475	8429	10527	8310	11371	25503	19861	27984	140463	5945	10075	15360	4174	3910	6731	14006	15258	23767	13288	12818	17626	6047	7524	6774	16739	14023	3021	5167	40105	Lipid	0.25	1.875	0.125
4	C7 H15 O1 N3	158.12878	158.129	0.066771396	158.1288	544	584	623	624	0	17624	4043	0	348	0	0	1116	0	0	0	0	2282	2804	24490	0	0	0	373	0	258	0	3270	0	0	0	0	778	6209	1245	0	540	4407	638	1446	0	0	6070	0	0	0	0	0	0	0	0	637	803	1523	0	0	0	4750	401	0	0	0	0	0	425	5965	347	2472	1324	0	0	0	0	0	0	0	0	0	683	766	0	267	0	0	0	0	3143	1822	13723	23451	0	0	0	0	0	0	0	495	927	0	0	0	0	762	0	0	0	0	0	426	0	Peptide	0.14285715	2.142857	0.42857143
0	C7 H15 O1 N3	158.12878	158.12906	-0.06735239	158.12878	9357	9032	8372	8068	5069	0	4973	11718	4016	2461	1256	8143	2894	0	10404	26807	24453	11579	16989	3629	4924	52652	14814	22319	20423	0	3023	1416	12781	4095	8802	6235	19095	4440	3547	4885	8362	11475	25277	1942	1607	21254	0	0	0	8415	0	0	8289	8686	8562	7495	13510	0	2661	1200	9249	32563	1902	11287	24033	0	5066	3297	10250	6013	24122	25569	0	1604	0	1998	3577	3149	8577	5951	0	4829	21796	2358	15206	1731	6335	0	16392	16091	20937	7271	16078	89336	4664	14872	81830	2002	2499	0	8216	8007	3355	1229	2398	7958	9632	17986	1567	42223	4589	0	25838	6616	Peptide	0.14285715	2.142857	0.42857143
2	C9 H19 O1 N1	158.15395	158.1542	0.072009444	158.15395	29673	31003	27969	27784	16226	0	10803	22810	7761	27500	21144	8620	12757	58722	11575	134634	11712	16774	16206	23141	18706	71038	11439	187775	45322	11465	23787	14311	12951	13313	11299	19572	17155	15630	23307	19538	23625	9694	10716	12848	10447	13694	8010	9585	11594	54563	17149	8120	18092	10862	24366	23874	12090	12662	9202	10669	10209	93995	7800	9740	126902	10195	18208	7386	80376	15554	23054	14225	15540	19663	13087	15005	11627	13960	28563	12819	12691	9854	14170	9377	11941	22029	8321	10399	10754	12439	15233	9141	12332	59805	21346	21914	65189	11052	30312	11110	24645	25368	14727	7077	9421	26881	7407	23704	12142	75353	11131	10590	13582	14163	Lipid	0.11111111	2.1111112	0.11111111
0	C9 H19 O1 N1	158.15395	158.15425	0.14679277	158.15396	55079	51636	51229	48912	95046	83359	24757	55179	16701	129141	15289	17706	78793	2112946	27036	20848	30198	77268	34162	123510	260791	48971	49330	29944	38229	17637	13636	46359	81143	14425	50318	23457	89530	22125	156500	30357	30748	22755	38075	68027	12101	38540	50100	20497	14085	58747	18852	13165	29765	16783	38046	41970	88823	22304	19068	22064	23344	59468	21416	14025	173904	22093	1092329	14645	141041	296187	452847	31671	53448	808385	14937	21045	23277	26795	7203	29718	31206	16035	46112	34255	48272	27604	10199	12569	29530	28522	51191	62758	27705	66044	64192	39369	159801	20657	46538	24954	43614	47794	36880	18461	24385	19544	13604	47477	21801	55657	55302	16571	50890	755746	Lipid	0.11111111	2.1111112	0.11111111
6	C10 H23 N1	158.19032	158.19055	0.003232824	158.19032	72270	77403	69630	72991	1011	1059	56618	921	0	276849	345678	11938	0	0	837	2788	5649	824	1007	88517	78120	29670	12079	2059	2442	0	76703	436302	1671	8971	16771	31354	176512	41804	79327	4146	107653	8107	5707	11659	6785	1634	0	0	0	40968	61052	0	5682	1062	78006	68892	2915	297	0	0	468	5740	0	0	7412	2176	0	899	1262	5417	8731	6010	0	1948	0	20783	16859	3217	31305	12201	0	12185	67241	1461469	34361	531407	0	9332	0	2614	41628	5484	7486	91484	264237	6863	17952	527430	344195	0	71585	44250	433	0	0	122579	13397	4101	783581	13062	0	0	23089	0	Lipid	0.0	2.3	0.1
8	C10 H23 N1	158.19032	158.19052	0.018494684	158.19032	14474	18265	20022	22999	0	0	918	0	0	134872	142823	878	0	0	2261	1551	0	0	0	41824	39105	12304	20663	14097	953	0	2946	102611	0	0	0	2137	3856	3264	55857	0	1583	1680	5778	8115	2699	0	0	0	0	24502	34336	0	0	0	18703	16975	0	0	0	0	0	7070	0	0	0	1355	0	0	0	0	1201	9793	0	0	0	1097	0	0	996	0	0	1392	2978	607578	39465	113749	0	5977	0	0	0	0	0	14332	90199	0	35109	214463	194337	0	19251	19288	0	0	0	1061	1180	0	340897	0	0	0	1507	0	Lipid	0.0	2.3	0.1
4	C10 H23 N1	158.19032	158.19063	-0.16063365	158.1903	0	0	0	0	0	0	283	18077	0	4607	0	4597	0	0	8825	6161	1583	0	0	20635	11130	0	2573	2404	19262	1757	0	97615	5123	3290	1995	0	0	4406	0	20120	1112	0	0	0	0	0	0	0	0	0	0	0	0	18288	0	0	0	0	0	0	0	0	0	0	821	0	0	0	0	0	263	0	0	0	0	1249	0	15653	0	0	0	2666	5802	596304	0	0	0	527	0	2218	580	0	0	2007	7929	0	60985	1706	3402	0	498	960	0	0	0	698	0	1426	50840	2969	0	0	704	0	Lipid	0.0	2.3	0.1
2	C6 H6 O5	159.0288	159.029	-0.2358252	159.02876	3529	3710	2761	3580	9377	0	1335	3572	3516	862	0	2299	18813	6510	1968	1071	1855	7910	5776	1161	1450	2826	2323	3158	1603	904	1411	0	3569	2243	3381	3495	5637	25274	1726	2969	3779	1318	1096	1320	1032	0	1298	0	0	1877	978	0	4211	1955	2127	3062	3532	1189	3035	3218	1467	4990	1223	641	3253	809	10068	3245	0	15095	4174	1532	1239	755	752	30130	11632	3276	647	3627	0	2042	1834	0	1933	1499	805	631	3803	1854	1943	12395	4993	1989	8325	4628	2445	1262	1485	1786	3371	3022	3729	4717	4103	4292	2591	627	1547	3581	2380	0	1174	10494	Phytochemical	0.8333333	1.0	0.0
14	C10 H6 O2	159.04405	159.04425	0.07773137	159.04407	7176	8759	6431	5720	6910	98221	5100	24205	9995	5588	4658	5232	8257	9079	12134	9917	4830	11786	10570	2277	2717	5304	16422	27440	13906	0	6221	15051	25977	17106	16896	25458	17009	27939	4657	24763	13694	9591	6725	2440	0	11832	0	1398	1561	3926	0	1991	13872	18483	8168	6086	10509	1631	6842	4466	5621	21356	0	0	0	1341	10374	6597	6528	17475	9630	5194	0	2038	0	17837	15809	21946	3644	21508	1058	7358	7916	0	10981	2180	1616	1161	5840	6324	13989	9894	12207	6920	4565	4276	30540	0	2111	2756	9066	9091	7865	4777	6017	19386	5726	2277	0	13160	3112	1781	9507	7391	Phytochemical	0.2	0.6	0.0
18	C10 H6 O2	159.04405	159.04425	0.043417737	159.04407	2473	3047	3080	2023	4583	41920	3089	4072	3747	2512	1519	1774	2685	4044	3560	2410	0	5289	4116	2184	0	1689	4032	4503	6120	0	0	2367	3919	2826	5675	6294	4274	5174	0	4892	5964	1692	0	1563	0	2082	2125	1009	1488	1219	0	1437	5700	2484	4363	2067	2820	1238	3532	1568	3137	4471	3435	0	3133	1444	2093	3914	2159	7223	3132	0	0	1509	0	2790	2667	3532	0	5223	1110	2170	3240	1506	2548	0	0	0	1936	2659	3085	4191	3833	3246	0	0	9881	0	0	1807	4069	2061	2912	0	2942	3934	2217	0	0	2814	3042	1245	2789	3868	Phytochemical	0.2	0.6	0.0
10	C10 H6 O2	159.04405	159.04427	0.076050445	159.04407	7751	7879	5029	5561	9855	61779	3781	10480	6223	3217	4549	6313	5422	5205	4204	15395	19514	9432	6219	4073	2109	5226	5558	19295	4997	0	5679	5184	11218	7904	12636	17359	8239	20670	3293	15533	9789	4243	14635	2850	1753	6969	1537	1751	1983	2958	2184	2135	14247	11519	7166	5988	7773	1759	7135	4173	4313	17117	0	1539	13879	0	7443	4833	3474	15200	7541	12343	0	0	1322	10104	17511	12163	6965	17814	1071	4200	7453	15367	5993	2522	2372	0	5736	4970	9720	11569	8812	28643	3662	2194	11596	3191	1778	2274	7642	7616	6139	5747	5290	14520	5388	0	0	11842	4635	1803	6409	8284	Phytochemical	0.2	0.6	0.0
0	C5 H11 O4 Na1	159.06277	159.06306	-0.18459675	159.06274	2539	3225	3241	2447	0	0	2110	0	0	10622	5940	1569	0	0	0	0	0	0	0	3566	0	0	0	3261	0	765	1705	0	0	2868	0	0	0	0	0	1932	0	0	0	5718	6360	1484	2598	1629	604	12014	12029	3805	3636	4425	2935	2283	0	2179	0	0	0	0	1982	2263	2543	1658	0	0	1815	0	0	0	0	0	8059	0	0	2877	0	2637	525	0	1177	0	0	986	5804	38167	0	0	0	1493	0	0	1225	1223	2787	0	7755	7068	3269	2113	647	0	0	4311	0	14432	986	1149	0	4755	0	0	Carbohydrate	0.8	2.2	0.0
12	C6 H7 N4 Na1	159.06412	159.06418	-0.057634152	159.0641	0	5714	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2079	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3145	11908	0	0	35166	1835	0	0	0	0	0	0	0	0	0	0	0	3237	0	1727	0	0	0	0	0	0	10003	0	1259	0	Unclassified	0.0	1.1666666	0.6666667
12	C7 H10 O4	159.06519	159.0654	0.01526159	159.06519	1672200	1617159	1496399	1527434	24991	28216	3238616	28603	32399	9865	2057246	21300	27808	41444	28225	23798	1386601	29693	32384	15777	7964	19458	31576	20490	21979	7366640	10907075	1442914	32587	31108	29914	32427	26431	28606	10830	29086	28450	87076	999513	10381	35521455	25097	46349	59739	49674	16896	11636266	65078	29748	24239	1538439	1644459	29069	40228	30466	50528	104550	27678	15201	1194573	24820	75843	29915	21524	596763	36598	22470	38266107	6747450	11717	314297	27892	32590	27300	314708	31491	0	30243	4632128	2542513	1760662	2530639	1043122	3424278	7326343	480767	6766529	21770	35680	12198831	26255	19205	23141	2435283	12179	55427	1717463	1687947	157527	2059994	3820664	27850	32481	12322	336566	24256	2875274	55958	2465923	32579	Lipid	0.5714286	1.4285715	0.0
6	C7 H10 O4	159.06519	159.06541	0.013321793	159.06519	756350	704977	606978	679269	201231	202831	3644585	182784	105916	52160	1451565	60506	340065	274059	96425	111205	173229	200531	187775	76476	40557	74008	94580	121446	85967	4377802	4103270	2637502	190958	130503	159520	144308	175274	178612	92210	126549	148403	479158	125100	46831	4595258	125539	537041	69512	70041	77272	3885130	60900	152384	119126	728543	752043	154697	125340	112365	201899	316338	151036	47480	138435	142537	480617	225562	59310	662198	318465	170927	2226858	3798074	50009	245029	186396	157488	176647	794970	131640	111310	72129	1665078	811689	1266576	2695896	1608746	2983800	4212068	1595101	3720533	104990	156817	1329678	108467	133338	114715	1376727	38426	83966	669378	539213	351984	659662	1502198	133299	77734	61655	891139	122269	2427075	66990	1525613	213304	Lipid	0.5714286	1.4285715	0.0
6	C8 H6 N4	159.06653	159.06664	-0.26918915	159.06648	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18865	0	8170	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	983	1026	0	631	0	0	588	0	0	0	0	0	0	0	2339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6135	0	0	0	0	0	4931	0	0	0	0	0	0	2281	0	0	0	0	0	1623	9275	0	0	0	0	0	23846	0	0	0	Unclassified	0.0	0.75	0.5
12	C8 H6 N4	159.06653	159.06685	0.29267272	159.06657	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32697	22680	0	0	0	0	0	0	0	0	0	0	0	0	0	149744	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52803	0	0	0	0	0	0	0	0	0	0	0	0	0	13598	0	2237	31838	0	0	0	0	0	0	0	0	0	0	0	0	3717	0	0	1434	0	0	0	0	0	0	0	0	0	Unclassified	0.0	0.75	0.5
4	C6 H10 O3 N2	159.07642	159.07666	0.084843375	159.07643	2353	2299	2192	2892	10665	3938	1211	1546	1981	0	2196	959	2617	3203	1255	3048	2555	5169	3559	0	0	1773	1134	1647	1434	294	687	3808	2783	1602	2603	2690	3107	2171	777	1759	2412	1865	2523	0	0	7669	1021	597	952	1398	0	810	3466	2225	1896	1969	6223	887	1824	2286	6155	3889	600	0	3217	0	3362	1606	6892	8654	3515	1832	0	0	0	2254	1830	1588	1574	1667	542	1270	1508	24126	825	823	872	275	1458	2498	1409	3739	3706	2894	8706	4726	2462	2122	0	946	1808	2217	4142	1827	1120	835	2314	1195	0	2031	15252	725	1186	3694	Peptide	0.5	1.6666666	0.33333334
2	C6 H10 O3 N2	159.07642	159.07666	-0.07941349	159.0764	4268	5225	2826	4114	4926	0	2216	5639	4530	701	1434	2024	4185	3537	3734	3635	2881	6834	4909	1001	789	4172	3789	4948	3156	0	0	12539	5291	3215	3927	4185	5669	4999	3182	4090	5009	3150	3242	997	398	4357	1025	590	525	1507	952	604	4137	2878	4075	3768	5484	1079	4441	2364	3796	6737	1228	668	4832	245	4121	3299	4605	5935	4884	4352	0	712	534	5159	5388	3074	1519	3388	353	2447	2294	46340	3473	0	788	544	3622	3863	3221	8811	5449	4201	14229	5792	7806	5170	452	965	4272	3753	4421	2462	4085	3716	3227	1718	752	6053	3878	595	3121	6144	Peptide	0.5	1.6666666	0.33333334
22	C11 H10 O1	159.08044	159.08063	-0.002075253	159.08044	51131	61301	42744	50909	53342	50766	42147	61309	41511	35065	27106	47824	42979	48726	64325	67326	70005	51202	37985	45054	40877	54137	54301	54408	63226	32049	50117	30854	64457	67160	62034	72092	78025	54340	42268	63882	70497	56634	73059	34449	34393	53870	12914	8720	10805	38458	32804	13935	67447	48537	53836	42852	46155	10387	49847	39695	36380	82367	36490	34668	64187	22382	39059	39196	36413	49923	52448	74032	27914	41789	37144	45364	47814	55668	47898	71600	8689	41430	52306	26480	53615	35255	35401	27729	45406	38771	72285	53022	55710	94711	64244	51410	95320	26717	39244	14708	40463	49155	41918	55038	38672	72681	52410	50717	26929	61618	36228	11534	58718	49410	Phytochemical	0.09090909	0.90909094	0.0
20	C11 H10 O1	159.08044	159.08063	-0.029826399	159.08043	70681	76998	60783	53196	78324	59220	64006	82588	45912	42319	31796	59917	69582	89408	75452	94238	79603	81819	78023	56122	48265	65674	60150	74897	74925	34181	79910	36804	83922	82184	61504	74763	99036	77977	55812	71647	110058	53854	86419	44306	34457	65706	16930	11456	11491	42710	40097	14235	80726	67307	63349	70827	68388	10761	45015	61163	48536	111481	42632	40923	81156	27524	57106	48982	74851	67615	76001	85600	30269	40531	58018	55463	69671	70071	76575	89836	14625	52650	63566	38107	65190	38795	50793	56900	52768	49392	83729	62270	66639	114630	84657	69603	108590	33951	38662	15974	62840	63279	60564	59126	76535	91616	57400	66189	31525	79937	39894	12674	72608	70466	Phytochemical	0.09090909	0.90909094	0.0
24	C11 H10 O1	159.08044	159.08061	-0.011403152	159.08044	39242	45762	31649	38537	37003	33751	29121	56283	27343	25755	23651	35936	38952	48952	47902	61149	43957	36925	44484	28353	28337	45981	44463	48679	41852	26604	33929	17881	45187	45173	40681	49425	58120	38506	30667	51567	50539	37650	49869	29361	24594	37471	7873	4737	7943	30797	22307	6528	51299	40836	36768	35955	32541	6114	34292	28749	26706	68532	24980	24600	60713	19216	28736	29043	28911	38456	36257	43468	22290	28085	29119	29888	35162	44128	33492	47246	7681	32734	43766	25741	45590	24796	30373	25248	35750	26688	57943	29274	41365	79328	49230	43680	73449	23199	29759	9968	37005	35546	31793	32406	24552	51570	36316	43782	21204	50290	19178	6629	51168	28988	Phytochemical	0.09090909	0.90909094	0.0
14	C11 H10 O1	159.08044	159.08064	0.014913386	159.08044	83375	100654	69717	88260	91505	68321	97563	92768	86963	59015	52788	64936	71710	70312	78987	115506	120425	95946	108503	95030	86541	81466	77631	79459	83346	51289	90064	51629	88276	90853	85832	116302	189810	76319	90061	92280	115125	77793	127767	66026	57961	77685	10515	7743	6621	57659	57358	10058	103355	70016	82628	85236	89497	6810	103831	64611	74730	134609	53686	61428	79406	37944	89896	81470	55264	90175	94138	123957	31616	58935	59039	69049	79746	95836	100330	102236	6149	61382	91995	48248	83237	63135	70394	65467	87020	53474	123609	71027	103157	155363	90348	76923	115706	44078	69864	11796	84236	85411	74791	94593	94680	152053	79693	80357	26310	85623	62418	7944	85864	69396	Phytochemical	0.09090909	0.90909094	0.0
16	C11 H10 O1	159.08044	159.08064	0.007008589	159.08044	81480	100550	73623	77980	87570	64344	82649	97233	71759	61544	49581	62632	75465	69340	86105	115710	109394	101351	115534	83113	79583	73922	86453	84979	88867	41768	84098	48603	82773	90269	88994	99653	122198	79741	77761	92711	110194	71802	121978	68077	53417	78458	10497	7870	9212	51823	49107	9967	116867	88487	86911	90134	84848	9960	73487	64000	63898	144395	54615	59610	85850	35823	85691	70972	50092	104589	108132	114419	33790	69169	57742	75398	84224	96113	89849	111152	7198	57078	87664	52921	76305	54426	71777	59060	73912	62889	110467	79181	94292	134755	94669	84493	135143	45501	68994	12164	78364	79274	68804	82974	91194	119803	61952	73318	24210	79303	66233	7719	90317	82177	Phytochemical	0.09090909	0.90909094	0.0
10	C11 H10 O1	159.08044	159.08066	0.0273149	159.08044	60488	56504	46736	53159	55352	40441	51000	60591	58713	38462	33439	42797	48256	40231	48145	80321	67151	61384	72308	59081	53130	63826	47315	54846	43061	30542	52305	23970	51729	59557	50914	62460	136147	44866	56323	64220	83098	44270	82923	42528	47310	37640	8766	7707	8205	40589	35591	9126	71163	45241	60747	64915	55242	7010	76853	46001	36281	86670	40460	41798	73183	25282	46863	48980	28989	54328	45844	76992	30181	40526	53077	40396	49553	52573	84374	66511	5858	37669	56673	22037	48976	45827	49322	36374	64791	44820	65749	39850	54171	87059	61091	46416	67454	35243	45007	9329	54237	55764	50730	60724	65979	139393	47003	54246	31017	46378	50393	7321	40086	57850	Phytochemical	0.09090909	0.90909094	0.0
8	C11 H10 O1	159.08044	159.08066	-5.68599E-4	159.08044	37239	42789	25651	36295	34872	25920	31541	32773	41532	24591	22201	26878	35193	21812	29299	43860	46919	37962	45372	36094	31475	38601	32422	31241	24308	20118	31549	17312	37065	35895	34056	44197	43373	31772	38459	34395	38962	28833	54690	26142	28264	33061	7360	6747	8596	26537	30779	9041	43702	31574	32447	38100	30800	7029	48536	31213	27933	39911	24931	25256	39559	16026	36330	36550	20846	31075	27115	47036	20877	22130	28636	26121	31804	36618	36726	46019	6579	25432	35936	14869	33887	29240	30504	23968	36409	24424	41894	28069	38914	49836	27453	31338	37506	21573	22015	8300	30522	36085	38182	52491	53846	46648	31348	33841	16782	27434	35251	6643	28102	33208	Phytochemical	0.09090909	0.90909094	0.0
12	C11 H10 O1	159.08044	159.08064	-0.011777929	159.08044	72178	94400	73572	72948	67722	53467	71755	78870	77402	46543	41382	44301	55294	47442	59699	99274	76940	85626	95350	71395	73955	76639	61820	67000	65461	37779	73225	33848	84537	75611	70782	99760	113379	62871	72145	76496	89885	63696	101317	61668	37381	54605	8165	7660	9098	45489	39477	10793	106383	64333	80823	87780	72348	6853	94092	51066	54249	91869	45482	43549	93002	38616	80772	62325	36697	71760	57511	68030	39729	56863	58153	53040	66958	76099	85414	95148	5674	55312	58050	41767	59251	49439	62458	40489	55153	55298	77668	51842	72367	139236	67909	74989	85798	41252	69472	10688	77499	73926	61136	68769	66350	91253	60478	67580	25867	67977	54109	8017	50213	81659	Phytochemical	0.09090909	0.90909094	0.0
2	C10 H10 N2	159.09167	159.09192	-0.061099984	159.09166	6756	6779	5780	6166	968	0	2408	7672	456	13723	10095	2309	0	1023	2368	26026	7772	1109	2357	16554	14882	3303	3363	26311	11124	1636	3824	24120	7642	6218	5322	7655	5642	7154	7001	6801	6658	2782	6560	7980	3043	4619	0	0	0	6034	5675	0	8559	6102	5944	4794	954	0	577	236	506	19070	0	0	15863	2359	441	268	0	501	2896	9857	0	3184	2692	4599	5618	4650	9151	6609	0	1709	7152	8329	3940	0	0	7627	367	833	7266	2626	2384	21416	4666	1227	18422	744	1294	0	4977	4536	564	363	378	7538	1247	2679	2095	12028	252	0	5226	0	Unclassified	0.0	1.0	0.2
2	C7 H14 O2 N2	159.11281	159.11304	-0.03227101	159.1128	1503	2469	1201	1760	3341	0	757	876	1185	439	0	814	2610	8211	1343	1015	0	3233	2141	529	363	1737	1280	636	729	0	0	7402	3517	1634	1621	2310	2750	2301	496	1613	1794	1166	2588	0	0	5046	412	0	0	0	267	0	4193	1041	1741	2552	1917	0	970	2299	3399	1606	276	1093	911	0	3889	863	3950	3131	3115	4211	0	0	0	1154	2064	2413	2286	1947	0	1007	1521	33568	834	0	0	0	884	2936	1998	2929	4294	1389	13708	9191	1723	5764	499	0	2214	2926	2994	2430	1359	1872	1099	406	0	1367	1188	0	1012	2248	Peptide	0.2857143	2.0	0.2857143
6	C7 H14 O2 N2	159.11281	159.113	-0.03500983	159.1128	1697	2400	1292	2194	1902	4190	554	1253	0	0	0	0	2119	13175	599	1991	0	1600	2401	0	0	1370	545	1957	802	0	0	6746	0	0	742	1422	1054	0	0	844	818	0	958	0	0	8202	0	0	0	0	1750	0	1467	655	2347	1263	1927	0	0	1205	18752	1312	0	0	1163	0	0	0	112919	1667	9291	1361	0	0	0	0	741	759	0	1239	0	0	0	29974	0	388	0	0	22743	60194	839	7916	2836	2082	26792	6643	1571	1869	0	0	1998	1960	2161	3431	23761	0	0	0	0	3122	12659	0	0	0	Peptide	0.2857143	2.0	0.2857143
4	C7 H14 O2 N2	159.11281	159.11307	0.10209556	159.11282	2103	1984	1505	1823	1379	1676	895	1054	644	0	0	337	402	1535	720	1828	2997	1431	579	0	564	1277	531	1406	442	0	918	9805	1037	976	1259	1531	1820	1394	1517	893	1017	1340	2934	0	868	1690	0	0	0	0	1343	0	0	1477	1992	1423	1685	0	552	303	993	2008	581	828	972	0	630	492	1625	1128	1337	2549	0	0	0	1183	559	1150	1274	1035	0	753	632	49802	463	588	599	0	2687	1620	1005	2354	1088	2939	39802	7907	2537	8085	989	0	1984	2056	1072	0	604	1572	976	1760	0	2162	1304	0	876	440	Peptide	0.2857143	2.0	0.2857143
10	C12 H14	159.11682	159.11703	0.035663575	159.11684	37296	42537	30611	35592	31661	19460	42065	38705	27840	28430	18113	25825	30723	29294	33065	51813	49216	28332	32665	28068	31420	45705	24753	37907	33515	39878	44945	20020	35823	35248	32075	36464	40934	30003	35082	35082	38404	28514	59406	24435	31180	22355	6262	4453	5146	27541	30826	6231	37346	30724	32912	42773	27809	3972	32178	34814	23233	52857	24540	34098	49697	13453	25949	22776	22219	28167	26232	63603	24785	29863	36162	21956	30808	35407	44943	41329	4100	22465	44114	20899	34302	31845	51141	37625	38734	26297	49280	19713	26456	82204	40287	30408	49919	20000	29066	5155	35468	35535	30820	51596	51606	37333	30920	33630	0	38320	37723	4303	31863	23630	Phytochemical	0.0	1.1666666	0.0
28	C12 H14	159.11682	159.11702	-0.015764087	159.11682	24611	26307	18547	21179	28280	14218	32622	30512	15484	12657	15612	16798	18138	23640	26168	31666	40533	19724	26369	18927	16465	25328	25139	22097	27768	17493	31431	19067	27948	28400	25020	34091	33734	25249	15030	33765	22430	27066	47962	13494	17480	21930	8303	5607	8366	15812	12370	6492	30812	29699	21695	23033	22735	8481	15207	16315	15267	44882	16961	13763	37850	13107	14778	14855	16015	19928	22472	51725	18695	17419	18587	18371	20582	31922	23727	32373	6167	18162	28300	22676	19287	16467	19286	19312	23920	13435	49883	17423	21133	51613	41999	29099	49776	15907	13429	7260	20862	23303	19176	26093	32602	36445	23759	21232	12515	33221	22663	5980	25585	15460	Phytochemical	0.0	1.1666666	0.0
12	C12 H14	159.11682	159.11703	7.17574E-4	159.11682	70352	86002	71706	71100	53008	33448	75995	56864	47624	41114	42144	37580	39461	51536	53844	103732	104551	46575	77982	63176	56264	72716	47899	62607	56768	58111	100906	31140	65811	66109	57820	87009	76656	58025	51702	69645	59749	55878	122817	47459	48193	46385	6380	3998	4195	42032	46212	6690	91219	68216	70390	78869	47902	4937	56268	46243	48483	99884	38957	51931	72854	28621	62223	38839	39025	52252	48035	81545	33345	54508	59006	47347	57446	66756	104546	84198	2951	42076	64350	36124	58324	47689	105548	85242	60775	44464	84755	43007	47613	144564	80236	71451	93340	34836	58908	5897	73898	71037	45567	76387	83591	78877	48557	62510	20170	62324	58733	4499	57326	47510	Phytochemical	0.0	1.1666666	0.0
14	C12 H14	159.11682	159.11703	-0.008019308	159.11682	127595	137792	114736	124895	103706	113880	146666	137935	71082	75229	72485	82442	85957	206435	76327	169009	174804	125462	113418	114502	101820	111947	83524	95971	85017	95967	156757	98591	109288	146303	112019	148955	137203	89354	88256	150179	106949	85435	196654	82277	92524	194807	42119	8816	9110	121756	109365	12372	130134	125673	122092	118024	136225	19166	80232	84756	79711	206700	48864	97822	113783	39297	92253	96436	86270	115263	159847	177385	67265	107664	107421	75747	88956	153284	166493	163912	5103	65856	115842	120595	100464	78971	146880	161518	110476	72423	140058	246317	131404	280247	185652	102339	156920	65431	135880	23549	118082	114044	79357	143925	152661	100858	86044	108925	25674	150557	92691	10025	101548	66449	Phytochemical	0.0	1.1666666	0.0
16	C12 H14	159.11682	159.11702	-0.02615427	159.11682	135254	164042	128007	133376	136249	91025	212020	142070	94467	101377	85025	94742	110258	169465	115373	184932	244165	135875	157117	138426	122798	137375	106971	121387	97048	129581	214519	75164	119635	138765	130041	157917	170720	105954	106312	138892	139151	100038	234347	92795	108816	116697	13693	6735	6472	74939	117511	9054	176622	141691	132900	147783	130452	8603	105045	111023	105288	211712	68168	126063	151693	59392	115600	85151	110621	143250	127866	212859	83790	113281	124893	96609	125714	148023	192308	173129	5472	74237	137709	131195	96423	98251	206625	272363	145161	93774	188918	118253	138446	349687	185938	154089	178048	100240	130751	11293	134956	136856	119680	157208	203922	181933	91413	116846	44322	146395	121795	6266	130132	108652	Phytochemical	0.0	1.1666666	0.0
24	C12 H14	159.11682	159.11699	-0.047521565	159.11682	140526	156264	117143	128398	123743	93482	187962	173184	87519	81930	86260	101304	85236	155752	163942	218631	227624	105673	147550	109940	96323	127710	124187	131028	141302	81185	186998	124836	131671	160001	115077	164596	169491	128732	102020	176082	162802	143575	233210	77639	101095	141304	21707	10588	13091	83012	187614	11594	167624	153364	136763	143755	110007	12468	112590	91261	89006	232031	82457	107582	191266	56496	94223	80173	99147	115299	124446	242648	60192	74364	103396	108397	113162	140318	164959	163027	9554	106369	166471	144574	122894	87333	123362	95036	109531	94619	208865	138293	117426	491381	232116	185287	294563	89734	113254	13584	130201	148427	111860	112524	115260	177857	109524	119209	68295	172980	91016	11638	164460	96178	Phytochemical	0.0	1.1666666	0.0
20	C12 H14	159.11682	159.117	-0.05381445	159.11682	191939	250191	200443	174403	202794	241406	235618	318410	138486	160703	99091	133338	161470	391141	169023	367413	276038	169045	285152	194923	159073	203064	133591	315525	154556	117054	265867	116569	188497	336053	217149	276950	230914	222115	144919	274883	230800	134965	248092	196179	124500	172061	31604	9926	9670	301775	152488	11988	298175	233734	226804	212340	150232	19399	130456	143779	138476	394249	109208	146866	286065	63954	147936	126054	118470	191752	170447	255529	69366	185003	124871	230933	218524	290516	286607	363203	10601	110767	181974	180972	141566	88991	223717	172613	163639	127460	229539	167183	258295	488781	452511	229690	306115	129109	273890	14779	207664	221067	158433	192927	225257	235942	144605	285176	84411	218749	149504	11784	166776	153777	Phytochemical	0.0	1.1666666	0.0
26	C12 H14	159.11682	159.117	-0.011250204	159.11682	72094	83076	67734	63877	59710	38988	99609	95277	49855	34361	46579	56448	48737	67457	84216	116328	108356	48932	74317	63220	49115	75541	49909	67189	68613	57839	109083	61130	78044	86487	70218	90330	105168	58124	50608	100010	92163	82160	136640	48734	53530	88296	10426	7913	0	44200	37370	8944	97303	68755	80473	69905	54744	0	49852	49481	47680	138642	40337	46076	111101	25493	46361	38581	49182	50863	51988	163606	42490	54680	54908	54799	63904	84633	69780	98679	0	55370	83804	65641	59375	46908	63542	54653	63022	53592	146597	51415	58459	205896	122438	86354	157409	44920	56270	9485	76005	73116	55227	66869	62878	114092	62019	65138	34045	79577	52909	8406	83515	43566	Phytochemical	0.0	1.1666666	0.0
18	C12 H14	159.11682	159.117	-0.04744479	159.11682	183478	203604	173483	158664	172311	137707	249940	204860	102394	117969	105268	120475	153397	189137	141945	263443	274227	177179	223304	167097	132587	166145	140534	170652	135884	114391	241044	119218	165008	191168	167628	203019	236441	168985	109317	204165	204714	123438	278184	114794	112492	165298	74979	12542	16575	115490	123518	25442	216597	152956	189081	182202	159984	29994	135985	134388	121051	282322	94885	147193	204723	70755	152075	128587	127251	180405	165079	294139	79258	102513	121110	128813	129807	196465	260641	241611	12450	97752	189649	164956	144092	114622	193110	184820	174485	153805	207259	227349	183889	417082	265922	211391	261071	100625	160969	29271	174824	162513	143551	213927	230308	219292	130638	163484	62179	163298	139244	22200	161289	126056	Phytochemical	0.0	1.1666666	0.0
8	C12 H14	159.11682	159.11705	0.03474726	159.11684	19616	23925	12003	19833	18255	11869	20378	20039	14060	13919	11018	15038	15728	14741	17991	22463	23111	13311	20645	21911	16911	23024	15810	18140	16668	14421	20504	8605	16879	19633	16565	22131	17644	11693	18773	16393	15621	14835	29749	15653	15408	16113	4958	4506	5114	18236	18882	6307	18756	16766	18791	22418	15592	4025	18667	18238	15812	23684	11881	16848	18847	8854	15096	15174	12197	12261	14567	23214	12712	13053	15694	12558	16148	20785	18207	20922	4280	14440	31327	8130	21002	17936	28152	20186	22564	12114	24367	12007	15060	45976	15933	16851	32305	12717	16045	5234	18600	16799	20393	32453	33355	16886	19725	16686	0	16820	19500	4069	17556	13123	Phytochemical	0.0	1.1666666	0.0
2	C8 H18 O1 N2	159.14919	159.14941	-0.05380514	159.14919	2467	2465	2464	1255	375	0	686	2170	333	0	0	0	381	34012	527	2120	1934	931	0	647	0	3402	875	9304	3129	0	0	0	2238	1004	1356	2564	1619	3712	0	2231	2971	430	1562	0	0	0	0	0	0	1156	0	0	2466	1000	1757	2115	0	0	516	525	392	13459	0	0	2720	0	722	536	0	1574	2846	2382	0	225	0	2492	2886	888	1223	1296	0	439	1110	0	1449	0	0	0	346	0	1947	731	2991	3342	0	0	8199	0	0	0	1899	1481	685	247	289	1505	473	345	0	13374	0	0	1531	938	Peptide	0.125	2.25	0.25
0	C9 H22 N2	159.18558	159.18555	-0.5418121	159.18549	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1214	90713	0	0	4834	83859	4293	0	0	15402	0	1125	0	0	0	0	0	0	0	0	0	51599	0	2467	1763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8106	0	0	0	0	0	0	0	0	Unclassified	0.0	2.4444444	0.22222222
4	C6 H9 O2 N1 S1	160.04268	160.0429	0.05629316	160.04268	0	1500	1267	1223	802	0	435	1166	0	0	0	638	606	0	959	1560	2670	1637	1041	0	0	3561	1230	774	590	0	0	0	0	524	1272	1044	656	665	0	551	513	1179	1714	0	0	0	0	0	0	0	0	0	0	1604	1253	1185	508	0	0	0	449	2460	352	648	1648	0	0	0	0	857	467	2340	0	0	0	1180	585	0	0	545	0	356	25849	0	5234	350	0	0	0	544	3534	920	935	24974	0	0	11113	0	0	0	1035	708	0	0	0	1025	398	0	0	1374	0	0	1319	907	Peptide	0.33333334	1.5	0.16666667
2	C6 H9 O4 N1	160.06044	160.06068	-0.05331786	160.06042	19048	19992	14749	17835	20463	25965	8390	32622	16048	6401	4458	26031	36146	20711	16561	12393	12046	39178	25798	9258	11211	21101	23642	27173	11641	2811	5316	5507	32351	25694	31833	31718	36468	34704	13078	28875	29137	12616	11487	7689	4230	19647	6546	4145	5437	9512	5152	4335	30732	22643	19512	18321	19093	5548	16124	9821	9095	30574	6625	5576	22486	2559	31398	12404	7647	30978	20729	12421	3467	4661	4063	36883	37201	35005	7947	28820	3864	22938	11091	5269	10403	7752	5118	3395	10611	9688	12144	26658	30768	17687	13513	8523	27706	5056	4367	6595	15480	17326	10327	8683	10613	26209	26156	10729	5951	28551	7370	4855	9504	37768	A-Sugar	0.6666667	1.5	0.16666667
0	C10 H9 O1 N1	160.07568	160.07593	-0.21821341	160.07565	0	0	0	0	1592	0	1420	1370	1804	0	8784	0	0	0	3368	0	2993	1662	1146	0	709	0	1403	0	1598	745	1409	34398	1513	0	0	0	1446	0	957	0	1841	1929	2302	0	0	1208	0	1231	1379	0	0	1154	0	0	0	0	1286	828	1066	1082	1515	1287	938	788	0	671	0	0	1942	0	2087	1768	1330	0	0	0	0	0	0	0	1355	0	1868	1334	2168	1659	0	0	896	2384	1577	1515	1447	1291	0	0	0	0	0	1450	0	0	1574	1439	1159	0	1741	0	968	1263	1437	1123	1689	1397	Phytochemical	0.1	0.9	0.1
14	C10 H9 O1 N1	160.07568	160.07588	0.04195434	160.0757	8910	8445	4964	7785	7871	9131	3384	6263	2305	7279	10646	5380	3474	11052	2627	8964	14150	5909	5171	0	1525	7183	6298	0	4830	0	10255	31164	3675	3993	6844	7851	19535	8970	5592	5265	11411	2234	16392	1760	4040	4794	0	1230	1198	3520	0	1640	11041	4538	6382	6974	10227	1113	2419	2750	4905	13890	0	0	0	1467	7394	2683	3330	15232	11353	16899	0	0	2374	7392	6249	2921	4456	6444	1022	2248	8376	0	5167	2798	1642	1220	2206	4138	8600	10712	6630	17544	22341	12231	11600	3418	0	1854	7831	6486	1881	4015	4182	0	3677	3913	0	10748	2451	1424	7569	4406	Phytochemical	0.1	0.9	0.1
4	C10 H9 O1 N1	160.07568	160.07594	0.043333665	160.0757	7033	7275	6502	6746	3698	11189	1825	2154	2094	2761	3186	2592	3388	2491	2361	3908	4577	6354	3713	1905	1846	3278	2320	2494	2031	1084	2483	3122	3116	7620	16438	16843	7573	12186	2322	4406	15421	2878	5269	2101	2284	3111	1438	1045	1594	2364	1624	1724	17264	2909	7049	6539	2159	1193	1541	1336	2267	17396	677	1381	10376	895	3644	1477	1229	5201	3116	15223	1482	2315	0	16122	19873	2918	39352	13227	1079	2670	2594	0	2664	2386	1500	1369	1578	1177	2952	4194	2845	12801	5633	5413	11276	1976	2117	1998	6306	6529	2708	1870	2671	9898	4365	1390	0	5516	1283	1666	2860	2924	Phytochemical	0.1	0.9	0.1
8	C10 H9 O1 N1	160.07568	160.0759	-0.016713032	160.07568	5421	10343	6605	7846	14917	15160	9371	7108	6697	13036	10878	4558	9218	12267	6100	12307	13356	15686	15518	5072	6402	6557	7000	11902	9781	1448	10327	13697	7043	4366	7028	6657	21402	7025	5817	5076	15967	4983	17252	3333	3362	7883	935	1318	1386	4365	2868	1214	12113	4909	7825	8233	19810	1037	7170	4944	6860	9612	1165	2130	8744	0	10792	8668	5784	9204	13661	16984	0	2181	0	7060	6379	3186	5129	7367	867	5734	16004	6632	9698	4376	1772	1302	7368	10235	16966	15458	10992	26101	15695	7262	16194	2319	3837	1184	7384	8477	5738	7753	7388	14159	6454	2473	0	13804	8624	1160	11912	8768	Phytochemical	0.1	0.9	0.1
2	C10 H9 O1 N1	160.07568	160.07593	-0.1251197	160.07567	107455	124657	103495	72170	15034	102522	59852	236670	29795	12567	16644	117170	5423	18270	229757	194484	163541	54944	93997	7650	7318	48815	131588	127734	140088	1947	101922	14186	333382	220437	372410	236148	165545	236927	7954	245760	118247	240815	185955	5203	3881	231226	1968	1700	1442	33169	7540	1600	306853	199464	109541	115483	53004	1359	9827	3857	89278	181623	1546	2198	185490	3560	10545	19633	139722	15059	136784	261753	8299	21318	10753	242201	219797	137693	162665	318253	1076	71461	99356	7702	109707	5125	1844	4763	3726	63217	136957	93660	179931	248510	15142	9466	123017	3972	8476	3618	104168	99454	27172	3474	5810	172015	112443	5578	2959	151127	4794	1517	130894	7133	Phytochemical	0.1	0.9	0.1
2	C9 H9 N3	160.08693	160.08717	-0.017526742	160.08691	19572	21090	19034	17764	694	0	16967	23119	735	5439	16541	13438	0	1191	23700	66598	85197	442	1389	2836	1647	5817	10836	20126	62887	445	24921	14348	21593	24231	17589	26145	20149	20680	1476	28200	18861	32594	59712	1266	842	5475	0	0	0	6168	3606	0	25344	26544	18605	18066	2405	0	0	0	4454	36721	262	453	31117	0	0	620	6482	723	3701	119506	763	7799	5264	15737	16274	17768	145435	23770	0	11589	13773	3211	15560	0	0	956	321	1423	21226	10621	5369	113387	5262	895	64555	1231	3183	0	17527	19899	726	0	0	31795	12881	995	1115	39886	253	0	24452	0	Unclassified	0.0	1.0	0.33333334
4	C9 H9 N3	160.08693	160.08719	0.054736845	160.08693	721	637	0	803	0	0	674	662	858	0	0	306	0	0	0	840	887	0	514	0	0	1678	442	737	960	0	0	0	0	0	0	0	0	0	1614	0	0	469	1304	0	0	0	0	0	0	0	0	0	0	524	430	1381	0	0	296	0	0	940	0	0	1397	0	0	0	0	315	0	5905	0	0	0	0	0	398	3409	517	0	315	666	0	955	0	0	0	0	0	1186	0	0	22615	0	0	2098	0	0	0	0	477	0	0	0	714	0	0	0	453	0	0	729	0	Unclassified	0.0	1.0	0.33333334
4	C7 H13 O3 N1	160.09682	160.09706	-0.069629066	160.0968	51476	58897	52808	54333	78624	76276	28971	54658	64162	24209	17056	34838	134150	63019	31932	71571	77041	96718	59894	17723	12594	56795	26407	66500	43592	1419	38264	19057	49738	50683	63425	64245	88684	62404	31452	58667	80025	27696	83943	6464	5104	46222	13284	2287	2277	23367	10322	2635	76805	51226	55726	32071	80708	6319	52348	19024	30760	83875	8204	14896	72121	12278	40308	45635	40322	134841	45623	76310	3398	7588	5777	57692	66906	64896	42520	69692	1449	41521	36602	12444	28451	12770	11955	4605	24410	42864	52849	66882	57925	79222	17523	14842	104069	7956	13078	4154	49982	46195	50010	32623	32542	70256	34052	14491	7569	73917	117394	2459	58978	98155	Peptide	0.42857143	1.8571428	0.14285715
0	C6 H13 O2 N3	160.10805	160.1083	-0.25434795	160.10802	16565	15582	13118	15586	86199	57885	7837	91295	37814	14442	0	15809	117429	66906	36466	96844	1409	61279	85154	36869	20376	105150	54990	105410	60384	0	0	12114	58200	28762	85266	0	94466	89847	32253	63969	73306	34552	3433	15883	0	37797	7767	0	0	47229	0	0	94966	12321	11573	15682	62395	5450	38669	25381	15043	170209	4592	459	156420	1153	103970	22695	10942	88698	53569	2719	440	35504	8790	78490	66114	39943	6118	53204	0	27230	19933	3301	18676	2381	3918	0	19244	19340	26431	41299	87774	29473	56965	48861	26580	1484	8018	2765	10523	10717	20420	12345	19655	41197	30241	17942	3215	132517	14400	1364	21100	102384	Peptide	0.33333334	2.1666667	0.5
4	C8 H17 O2 N1	160.13321	160.13344	0.03961378	160.13321	708	736	837	564	2188	870	401	0	0	0	0	245	3233	976	279	1148	941	4860	953	0	0	692	630	1721	677	0	0	0	0	0	0	2125	944	0	0	0	750	364	1896	0	0	791	1482	0	0	0	0	0	0	0	1050	905	1526	0	425	0	2145	1261	0	0	599	0	5088	314	2918	29026	19846	1106	0	0	0	0	573	467	0	440	0	342	425	6244	504	0	273	0	0	1548	1167	1961	1604	3191	1762	753	2295	0	0	0	947	810	666	1209	2474	819	385	0	0	4945	560	0	380	907	Lipid	0.25	2.125	0.125
2	C8 H17 O2 N1	160.13321	160.13344	-0.101517804	160.1332	12301	14904	13454	12613	34753	27206	1421	12839	19476	12976	6659	4415	16190	17892	3145	14064	5255	142491	17536	2290	2877	17511	6889	36848	5185	0	0	21266	16147	7521	13054	23114	20267	16025	5551	8914	19270	2615	6839	6382	11581	9164	6009	0	0	7804	1093	0	15858	5807	13751	15312	24278	441	7297	4708	6034	75918	648	693	13413	529	12969	7130	9561	37352	16486	6721	0	2016	486	16897	16226	9598	2125	10714	0	5935	4467	9778	6004	5499	807	818	6564	3499	7032	29896	26188	46504	24021	9140	48151	2442	1303	432	12681	11420	9281	4160	4708	11728	4947	3082	2348	65659	6564	0	4491	24742	Lipid	0.25	2.125	0.125
6	C9 H21 O1 N1	160.16959	160.16978	-0.051711522	160.16959	23508	18852	24223	19378	0	0	12157	12884	0	32336	82942	7691	0	0	3658	22928	27832	0	7440	5515	6228	0	16404	66201	5919	0	18175	435584	12770	5260	11488	53635	252207	75031	1115	32455	185828	3412	31389	0	0	0	0	0	0	9109	0	0	14078	5223	23930	18559	560	0	0	0	0	39741	0	0	27558	0	0	0	0	2661	0	54301	0	1455	0	5246	17605	5690	22443	6446	0	9192	5216	11736	23254	0	0	0	2205	0	2537	511	495	7655	7857	0	57674	1401	0	0	21060	18943	0	0	0	323164	8555	0	0	71036	0	0	9474	0	Lipid	0.11111111	2.3333333	0.11111111
0	C8 H21 N3	160.18082	160.18105	-0.27538964	160.18079	3093	3771	3106	3423	0	0	0	5605	1144	3501	0	0	0	0	0	20742	0	0	1368	4445	1199	2870	0	15956	18283	0	3332	795	8615	12714	1587	4975	3482	2009	1283	9544	6104	0	0	2315	0	4521	0	0	0	6621	0	0	6984	9150	2195	2269	1083	624	279	0	0	3750	0	0	36852	0	0	0	0	0	0	0	0	0	0	3377	3363	11362	0	3664	0	0	0	0	0	0	0	0	0	0	0	0	1322	0	3976	3155	2851	0	8281	2684	0	4289	0	0	0	12250	0	11732	0	2247	0	0	0	0	Unclassified	0.0	2.625	0.375
6	C5 H8 O2 N2 S1	161.03792	161.03827	-0.012365294	161.03792	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3172	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	387	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37943	3876	0	0	0	0	0	0	0	0	0	0	0	0	713	0	0	0	0	0	0	0	603	0	0	0	Peptide	0.4	1.6	0.4
2	C6 H8 O5	161.04445	161.04471	0.030347463	161.04445	4710	3425	3189	4383	11351	0	2021	5777	5201	1506	1166	3500	23135	11294	3675	2642	3589	10844	10368	1962	3030	4807	4232	4985	3436	1234	1643	0	6278	3768	5508	5385	8409	7797	3275	5998	4883	6191	1957	2465	1373	6234	2327	2006	2900	3394	1620	2397	5970	3206	3687	4777	5753	3079	5868	5440	2988	6911	2090	1732	4291	1601	13629	4315	3018	14217	7356	2522	2115	1834	2119	7910	8212	5952	1443	6322	2149	2632	2485	0	3056	2733	1295	996	4586	3179	2616	5170	7110	2493	5115	3096	5245	1991	1645	3716	4543	4096	4831	4145	4605	5231	4220	2745	1995	5110	3763	1877	1899	13662	Unclassified	0.8333333	1.3333334	0.0
0	C7 H12 O2 S1	161.06308	161.06325	-0.40312633	161.06302	2094	2398	1783	0	0	437368	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1678	0	0	0	553	0	0	0	0	0	0	0	0	9222	0	0	0	0	0	0	0	0	1866	0	1340	0	0	0	0	0	0	0	0	0	0	0	0	1675	0	0	0	0	0	1491	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2264	0	0	0	0	0	0	0	Organosulfur	0.2857143	1.7142857	0.0
2	C9 H8 O1 N2	161.07094	161.07118	-0.028950373	161.07094	4233	4639	3706	4383	18540	0	4371	5260	8288	4043	2943	2882	14430	8629	3520	1750	5772	12570	11492	2686	2513	4728	2319	6069	5207	1187	2610	4262	5875	3683	5735	5654	10090	6295	3499	3767	6018	2820	6871	2971	1348	0	764	807	858	2224	1707	1218	5256	2659	4738	4056	12198	586	4952	10061	5017	7194	452	1152	4270	581	11670	4266	3658	13264	10441	5580	978	2028	1369	5558	4205	1920	1168	4928	743	3431	3883	2073	3753	1218	1082	1467	7912	7484	3557	7305	6214	4683	21689	11551	8619	1077	2475	1389	4932	4187	8229	9458	11957	5837	3782	2091	779	4543	9259	827	4536	13245	Unclassified	0.11111111	0.8888889	0.22222222
12	C9 H8 O1 N2	161.07094	161.07112	0.01170341	161.07094	6640	8153	8419	7381	2735	1527	8127	10846	0	3344	2128	3455	0	1698	4940	38181	14547	2787	3341	1928	2020	8656	4186	15869	6097	1990	6788	0	13993	11155	10751	23207	16999	24251	2218	20175	14513	3552	14321	0	0	6158	713	1267	1165	4011	0	1718	18106	8638	7134	5390	3188	1035	1244	0	2448	29989	0	0	25893	0	2399	0	1729	1688	3196	14720	0	1899	2187	16156	24846	18352	26137	21069	1066	5453	4415	0	3557	851	1151	1245	1304	1335	7631	6436	8544	35696	13406	8069	22552	0	2730	1343	7862	9444	1491	895	0	14462	5939	0	0	19532	0	1293	6652	3895	Unclassified	0.11111111	0.8888889	0.22222222
4	C9 H8 O1 N2	161.07094	161.07118	-0.01973363	161.07094	5005	5187	4142	4752	2220	2152	4200	7449	2255	1506	0	5233	1603	2549	6826	15831	9676	7253	9333	925	796	9392	8620	7321	5664	634	4442	0	5169	4003	5860	3533	4390	6084	1329	5153	4503	4859	11345	1392	1266	4971	0	797	815	2622	1149	863	5492	8500	4753	4237	2813	1015	1296	1272	4046	11957	721	2573	14560	0	1838	1902	1593	3528	3028	8784	0	1455	0	6349	5526	3654	9286	5588	521	2357	7949	0	5889	2020	1802	1182	2795	3823	10327	7290	5547	26000	2889	2139	21265	922	975	1433	3654	6124	2326	2306	1866	4524	6355	1913	0	7271	1285	1183	10214	2691	Unclassified	0.11111111	0.8888889	0.22222222
10	C9 H8 O1 N2	161.07094	161.07112	0.05706787	161.07095	1429	1523	2489	2694	2705	1755	2487	1463	1268	5276	7870	1076	1806	5246	0	3251	2066	1368	1288	0	0	2966	1123	5608	2211	0	3396	27733	2701	3602	2191	3291	2714	3315	2961	2856	3424	1606	4354	0	0	2264	1006	2307	2197	0	0	3116	3963	1940	1832	1677	2211	2312	1278	765	1279	3447	0	0	0	0	0	0	1274	1689	2032	2994	0	0	0	3751	4883	2458	2268	2174	1100	1117	2849	0	3560	0	1225	0	833	1004	3110	3179	3405	9492	6360	3348	5987	1524	1811	1899	2493	1433	1340	1156	974	2245	1655	0	0	2664	1448	2563	3168	2150	Unclassified	0.11111111	0.8888889	0.22222222
6	C9 H8 O1 N2	161.07094	161.07117	-0.005150313	161.07094	89742	86722	67918	81321	21074	39272	75348	118493	13042	29264	25561	56908	16761	31921	34133	266850	130778	64888	83476	7652	8674	43463	39734	210869	75181	700	72218	28641	106258	85458	99611	190355	182613	148977	21422	121768	158524	48975	154045	3487	2649	47918	1023	1309	723	37066	3030	872	147294	81908	83111	69774	38871	1335	7303	5756	18610	251391	1235	3559	212090	0	19920	14198	17481	39792	53605	165009	0	12649	4967	128249	140705	81564	85099	96584	748	41205	56115	15022	48457	4652	3038	1934	12589	18049	93148	71140	84876	201809	74212	30884	136601	7704	11629	1353	77671	52382	10547	6518	6938	132300	56500	5160	0	169311	6670	1018	84087	25796	Unclassified	0.11111111	0.8888889	0.22222222
10	C7 H12 O4	161.08084	161.08102	-0.04258226	161.08083	5784	6973	4676	4807	3621	5556	3599	2519	3014	2183	3484	2145	5678	6359	3841	2758	2330	3714	2884	2181	1342	67678	3014	1676	2538	0	1984	11239	3795	3336	2227	2814	3750	2223	1661	3024	2674	4750	1649	4420	0	4934	25294	8760	9027	2930	0	8441	2803	2199	6431	6900	3000	18527	3839	3324	4320	2362	8777	0	0	5612	6087	3811	6836	6361	4063	1937	0	0	2285	4403	3168	3787	1755	2676	8552	2557	0	9423	2556	2808	3484	1962	4766	7783	2008	3318	2844	1299	115475	208383	4699	1331	1234	9018	6019	7384	7759	2568	2897	2489	2279	0	122619	2512	4013	9022	1932	2558	Lipid	0.5714286	1.7142857	0.0
12	C7 H12 O4	161.08084	161.08104	0.05910835	161.08084	3518	3058	4344	6254	2242	2544	3309	0	2675	0	0	1472	1865	3917	2384	0	0	2353	3352	2505	0	0	1949	0	2404	1482	2446	0	2424	898	1578	0	0	2129	0	1247	0	3047	0	0	0	2997	15041	7428	7096	0	0	7137	1474	0	5191	2636	3285	7753	5340	1741	3549	1631	13781	0	0	6520	1852	2449	3872	3652	3691	0	0	0	0	2128	1321	2148	0	2200	5963	1534	2430	0	2318	1870	2278	1140	3848	5725	0	2242	2458	0	5083	4608	1949	3100	1391	6394	2585	3281	2158	2445	2879	2896	2250	0	307175	0	2657	7379	1210	1282	Lipid	0.5714286	1.7142857	0.0
8	C7 H12 O4	161.08084	161.08107	0.03780625	161.08084	5470	3972	3633	3266	2787	2934	5356	3347	2719	1933	4377	1910	5621	5924	4673	3000	2672	4448	2974	1797	1286	3457	2283	2915	3611	3625	6898	18861	2727	2923	2869	2406	2526	3068	1817	3714	2131	2728	1746	0	1304	4559	7666	4712	5613	3437	1146	3921	3473	3576	3507	4164	3383	5587	4115	3452	4108	2626	11047	1924	0	9475	4184	2209	7801	5686	4889	2521	0	1735	2206	2835	2932	4957	877	2518	6473	3521	3198	12512	4044	3736	2889	4390	3685	6618	3326	2758	3096	2653	0	6232	2666	4912	1866	4155	2593	3455	3885	2702	3768	3920	2613	2753	180065	2864	4439	4245	3054	4054	Lipid	0.5714286	1.7142857	0.0
14	C7 H12 O4	161.08084	161.08104	0.077236794	161.08084	2570	2271	2886	3557	1279	0	0	0	1154	0	2526	0	2641	4398	1400	0	0	1415	0	0	0	20930	1403	0	1349	0	2174	0	1381	1449	0	0	0	0	0	1605	0	2025	1320	1716	0	0	15824	7945	6646	0	0	8599	0	0	0	0	0	8396	3896	2080	3439	0	0	0	0	1862	2034	2383	4873	0	1511	0	0	0	0	1495	0	1297	0	0	7644	0	0	0	0	1218	1534	917	1650	9169	1205	0	1560	0	35867	153846	0	0	0	6110	1569	2990	7667	1180	1463	0	0	0	59530	0	2176	7888	0	0	Lipid	0.5714286	1.7142857	0.0
6	C7 H12 O4	161.08084	161.08107	0.05499943	161.08084	5820	5077	4603	4946	5022	10041	5379	6710	2896	2329	7365	3592	11856	13674	5944	3863	2856	12785	5318	3100	2304	9923	3794	4592	4019	1970	4430	22291	6877	5589	4293	4964	5888	6478	3353	6578	6399	4893	4406	1557	1431	4413	7941	3131	4016	3948	2758	3135	6072	5414	4901	5076	3819	5676	4582	4721	4349	3617	3502	2278	4996	3930	7951	0	11289	13580	6234	2564	3618	2495	3064	7126	6241	6411	1925	3992	3076	3923	3243	26365	2961	3490	3939	4183	3154	7276	6291	6279	3542	3146	12084	16886	5592	11373	4775	3142	5839	5273	4704	3451	5169	4280	3022	3181	48762	2510	4939	3011	3056	5522	Lipid	0.5714286	1.7142857	0.0
0	C6 H12 O3 N2	161.09207	161.09232	-0.17169584	161.09204	2683	2908	3644	2503	12857	47136	0	9763	17603	0	0	3465	31042	34468	3093	0	4296	20352	14466	0	5035	7962	7264	3216	12953	0	0	2075	44932	0	22085	4350	75487	9222	3908	4642	7087	4384	7356	0	0	7132	0	0	0	2193	0	0	6059	1664	2813	2532	15835	861	26239	9810	1614	10541	1633	495	2769	0	54674	4941	4325	19924	49658	4576	0	3330	0	7268	7246	2996	0	5920	0	3356	4963	3647	3471	558	0	0	5014	2850	7445	7206	13610	9909	8732	6647	9877	1009	0	378	3110	2107	4052	4094	1923	2333	4943	0	0	16056	6480	0	3403	71635	Peptide	0.5	2.0	0.33333334
14	C11 H12 O1	161.09608	161.0963	-0.022855757	161.09608	1103191	1286689	1213233	1224380	2126460	2312575	319919	3469565	251628	935162	167928	200671	665781	4592693	216507	2151812	568603	1584866	1991622	1544911	324336	329853	198504	1262536	214307	171860	333485	296533	282734	3973222	1310997	2000966	626231	718355	320853	3376359	491751	200948	586219	1593246	475837	4707138	116374	68280	52789	5166743	2256566	76820	2337896	1919654	1159118	1155222	1792684	64875	248352	217656	278352	3450368	144771	377266	1532855	108660	286558	4197756	278732	1555648	2081059	641500	135285	3104722	363370	726028	1099552	3274176	2603082	3482283	47437	174287	235369	223016	206900	173901	300140	296120	309456	290511	317410	12433769	3600907	545280	3012921	332815	525375	151538	2645558	90165	1027002	1010573	236553	334516	414048	510645	218984	1333652	93406	2587531	287251	79151	209410	209657	Phytochemical	0.09090909	1.0909091	0.0
10	C11 H12 O1	161.09608	161.0963	-0.03431978	161.09608	172790	169538	137246	142070	156286	113722	180654	170039	138418	93955	83879	125181	135732	135449	131632	208872	233353	164707	189473	146220	147541	148246	124294	131727	127683	120927	180005	82312	181238	175148	140083	195004	256771	145985	140447	179229	195353	122185	261174	115406	130505	134683	42251	34910	37201	108377	115182	41726	179081	130603	170108	174666	144993	33292	157646	133091	91263	230141	91281	132647	202797	61680	133277	123426	106159	153378	129041	256385	106420	118356	126158	114382	151764	165466	220696	187029	32299	102103	149023	78639	133863	118327	188633	144955	161355	131180	190197	118519	147157	258995	129573	118704	177335	101392	124571	38590	137837	153556	142497	197710	200236	239195	137726	143025	68687	130734	151967	36009	125757	128877	Phytochemical	0.09090909	1.0909091	0.0
2	C10 H12 N2	161.10733	161.10757	-0.013327965	161.10733	2666	3418	3960	4134	1187	0	1674	6456	535	11347	20762	2338	0	1932	2174	10910	7585	2441	3312	12281	8425	3321	3016	8328	9096	1022	1429	148065	4467	3500	4396	3637	3445	3735	7692	5334	4955	2958	7403	5032	1726	0	0	0	0	3660	6425	0	6438	5669	3550	3645	1637	0	304	0	794	9815	0	0	8254	1154	0	502	0	1037	4298	7027	0	2053	906	4180	2822	3664	4176	2992	0	1892	8299	8280	5055	0	424	5078	0	1819	7091	3091	3843	21846	6322	1003	26233	1821	4036	0	4352	3364	1007	315	0	3555	1267	3639	1754	11668	364	0	5603	462	Unclassified	0.0	1.2	0.2
6	C10 H12 N2	161.10733	161.10753	0.021243341	161.10733	14310	17168	16825	15971	2604	9564	12920	24315	1859	6533	7680	14609	0	7795	8304	82137	43314	4179	4307	3808	3632	1029	8641	43819	15845	0	16680	10568	43126	48918	50855	56218	58543	70985	3500	46455	67797	12788	31222	0	0	10723	0	0	0	3866	0	0	53983	20621	18901	17686	6392	0	0	0	2776	51330	0	0	73350	0	837	0	2065	2356	12586	55764	0	2613	0	40659	47507	53626	47096	45707	0	18527	4642	0	8004	0	477	970	542	1380	15231	30134	18181	89652	8906	0	36241	0	0	0	18605	16260	0	0	0	55504	12065	0	0	57997	0	0	10483	0	Unclassified	0.0	1.2	0.2
4	C10 H12 N2	161.10733	161.10759	0.021266289	161.10733	3547	3346	3039	3431	2354	1304	1860	30200	1107	12962	10835	1101	1735	2446	4962	5378	2231	1925	4029	12976	13683	2162	1197	2613	13637	405	1918	39758	3647	1026	1521	2312	3594	2358	12975	1430	3701	979	2843	3074	960	844	0	0	0	2567	3715	0	2872	26970	3127	2932	2170	0	838	366	729	3468	0	0	3268	0	888	967	0	1627	1887	6285	0	0	0	2192	1919	1512	3256	1935	0	1281	2095	3823	1791	414	216	3603	0	427	2445	3273	2655	10781	11811	0	9123	2142	3193	0	2566	2857	898	925	682	3337	1431	1371	0	2990	1185	0	2480	1349	Unclassified	0.0	1.2	0.2
0	C7 H16 O2 N2	161.12845	161.1287	-0.07218083	161.12845	0	0	1877	0	7863	78141	0	8001	4955	0	0	0	45409	52574	0	0	958	30985	10533	0	3273	7503	3712	0	8754	0	0	1624	39223	0	10085	2487	70367	3770	60357	2095	6164	0	1911	0	0	3060	0	0	0	0	0	476	2706	0	1579	1988	0	5074	9152	2015	0	7070	575	0	0	0	29208	2948	820	9531	34405	0	0	6956	0	2937	2008	2086	0	0	0	1326	0	0	1601	0	0	0	1953	0	1880	2588	8740	1972	32998	14995	7008	0	0	979	0	0	1253	1291	0	2867	0	0	0	8435	1198	924	0	69615	Peptide	0.2857143	2.2857144	0.2857143
16	C12 H16	161.13248	161.13268	-0.035626486	161.13248	74674	65930	61924	67236	67955	51029	166753	62736	38205	36682	44712	41635	49561	128267	44671	93655	113487	54149	67323	58038	60782	61548	43467	55116	42825	80337	166830	38017	62182	60922	49470	75371	69870	48595	49031	68140	66544	47168	116302	48789	60845	48739	11322	4697	4538	35775	49268	7161	77924	58695	66610	75792	57793	6384	39475	51853	49730	90577	25860	61058	66185	26336	56121	35563	69996	62269	76973	105569	41422	48134	57859	46489	57826	69942	105743	77714	4272	34254	62459	74873	40680	51868	159175	308570	63110	42695	97822	51941	61525	184807	95912	86577	90347	47834	60089	7958	59251	74123	49018	81473	90797	82257	36884	52142	21399	59930	55576	4580	58911	38785	Lipid	0.0	1.3333334	0.0
28	C12 H16	161.13248	161.13266	-0.03539568	161.13248	27273	25663	23589	22146	26973	14841	58509	25160	18982	16636	19755	16929	21107	31338	24616	32084	39719	23772	24355	20130	16657	23330	22426	22350	28374	27540	46017	27640	28529	30770	25196	29946	30664	24650	18916	33045	23908	28229	37119	17074	15525	22482	9143	9284	12654	20680	15038	8867	26745	29087	23855	27091	23274	12248	23609	23920	23143	39304	15462	18182	33525	13615	20862	16797	23551	22906	27893	41946	20672	17485	17401	18009	18395	28169	21961	30275	10636	18848	32908	37927	20217	18508	22386	21818	31315	25715	53811	16285	21147	66813	69623	50482	41029	17862	19578	8103	24079	25274	20816	33740	46130	36218	23420	32721	15586	29732	32174	9222	25752	19834	Lipid	0.0	1.3333334	0.0
26	C12 H16	161.13248	161.13266	-0.04307925	161.13248	76375	83045	61701	62012	63609	37764	181150	73079	49399	35422	56526	48091	44961	85946	72200	112951	85377	47380	69700	58657	52121	67401	55352	64717	76852	62284	182652	95951	67154	76028	63284	74601	85466	50391	48878	84569	69201	75173	109747	49208	47026	73035	12242	11222	12150	38903	34109	9449	79140	69953	84678	77719	53995	13079	56277	61021	64046	133217	41451	54909	104625	30922	58966	40224	79748	49581	75071	123241	49999	49982	56298	39238	51944	79460	71428	88852	11757	45597	82088	117072	54711	55902	73443	67516	76310	61005	170691	54507	56112	227035	187021	125177	125020	49475	49144	10789	78524	82574	60180	81552	109970	92959	55484	68468	44216	67964	67662	10489	81157	41278	Lipid	0.0	1.3333334	0.0
12	C12 H16	161.13248	161.13269	0.015960693	161.13248	21653	27969	26589	25276	16093	17491	29315	22327	14702	11285	11263	11264	14197	29247	16824	38584	33268	15577	20568	16173	16315	22127	15004	18311	15816	20021	43254	8857	21777	24058	17729	26010	26367	15617	15798	20060	22996	17497	31396	10856	18338	17231	4606	3232	3330	15666	14867	4167	28985	18053	23488	22368	17042	2975	14804	16408	14918	28594	8920	12706	28302	5844	21067	10483	17396	18433	15679	27348	0	15529	22057	14388	19222	25103	33973	26625	2613	12471	19158	0	19318	17369	40426	44062	18402	13760	37540	12666	16299	67279	23768	22975	32024	9592	19897	4302	25483	19028	17561	27449	29694	24921	16742	16120	0	20903	20976	3109	21383	17581	Lipid	0.0	1.3333334	0.0
14	C12 H16	161.13248	161.13268	-0.037187718	161.13248	39621	44410	38187	44769	37340	26366	73907	33122	26130	24296	23022	28153	31717	70027	24687	50607	58767	29548	38379	41335	29970	37567	24584	24999	31990	50781	85593	26791	33062	33891	37772	42092	38700	32426	32914	38286	36033	26820	61740	19931	39391	34985	6817	3547	2956	26269	29216	4685	41164	27980	39901	37933	33382	4000	23217	36369	30753	57689	17401	41670	38272	14001	43392	20595	39916	30905	44727	66424	25110	28544	39279	27080	31688	41946	46398	44039	3375	21716	38282	27699	28847	30913	96605	158422	34746	24161	72759	27020	30631	159858	55608	40711	60636	22793	31977	5568	42862	36288	33720	56121	59774	35595	28836	33101	18921	33344	34448	3411	34613	18971	Lipid	0.0	1.3333334	0.0
6	C9 H7 O2 N1	162.05496	162.05519	0.06667514	162.05496	40767	44948	34330	41080	74742	199101	42280	67494	54594	7802	11736	43677	28941	197501	28627	54543	49863	64499	163641	7536	5253	24443	37371	84449	44625	4493	56701	11271	62585	46993	104166	55999	78066	69277	9578	40056	57317	25474	51745	5106	4217	50571	7576	6346	6679	19141	6628	7629	77006	59960	44626	39704	57375	7158	21780	25071	32433	74010	4213	5770	64552	2859	23803	0	47669	42711	89915	71493	8607	18996	11096	56495	33373	47374	19766	44653	5741	46198	54913	12093	64333	12548	7048	5017	23948	63154	44033	103276	139765	87100	19126	10951	93195	7126	8099	8471	35316	38252	0	24166	26950	49806	46072	5751	0	68620	24862	6303	39280	42903	Phytochemical	0.22222222	0.7777778	0.11111111
20	C9 H7 O2 N1	162.05496	162.05508	0.061853398	162.05496	0	2332	0	1653	1646	0	2010	3582	2340	0	0	2175	0	2329	2187	1721	3366	0	1716	0	0	3980	2190	3830	1489	0	3795	1535	1678	3307	2054	2127	34328	0	0	0	23547	0	2803	1653	0	1802	4129	5606	6405	0	0	6771	2183	2439	3147	2488	1455	4535	0	1202	2121	1670	0	2213	1486	0	0	1475	2212	0	0	3470	0	0	0	1394	1647	1619	0	2110	5449	2320	1943	0	1877	1830	0	0	1444	0	1854	2897	3100	4061	0	0	4035	0	0	5047	2028	1903	2067	2191	1340	22913	3643	0	0	3038	0	5715	2941	0	Phytochemical	0.22222222	0.7777778	0.11111111
14	C9 H7 O2 N1	162.05496	162.05516	-0.015610941	162.05495	180217	200257	151651	166240	181476	156676	160516	328087	53871	71439	88731	112262	49905	123162	142014	501959	120975	124043	223962	35831	19977	132190	125859	409283	140064	5848	130840	79181	148966	226352	301154	276588	296121	285056	67746	237605	207662	132281	183506	23566	19623	177843	7485	9179	8381	106014	30473	10109	292169	187699	179201	166434	139388	9968	32738	34240	97588	463604	8451	18810	462084	4044	72171	55704	78702	246486	199695	215769	0	20552	22071	205544	186865	150908	208832	180909	6902	132330	224726	84240	202894	42861	16420	12072	50186	72753	298594	256397	308117	374131	370740	229180	369643	39731	52443	13433	172535	165183	63688	39237	48548	276815	129878	43512	0	383002	32030	10293	169562	82885	Phytochemical	0.22222222	0.7777778	0.11111111
2	C8 H7 O1 N3	162.0662	162.06644	0.05910797	162.0662	3996	3995	3125	3988	3633	0	4414	15443	2448	2773	4284	3068	1008	7799	4217	3813	0	4469	3826	661	1159	4620	10194	11107	7248	0	0	6831	14506	3874	11506	7416	12798	20379	2580	10633	4510	5789	8154	345	0	0	201	0	0	2516	621	0	6509	0	3948	3936	4160	0	1126	395	2745	17020	334	450	5131	0	970	1742	4274	4119	6279	8206	0	3439	480	10148	12416	4166	3037	8698	0	5071	17262	0	10276	0	533	420	969	1554	15495	7630	7335	86301	3573	1815	68829	1975	952	0	4551	4596	2446	421	0	4064	5140	457	452	28372	589	0	11284	1425	Unclassified	0.125	0.875	0.375
12	C6 H11 O4 N1	162.07608	162.0763	0.05514523	162.0761	3291	4585	4983	5642	1677	5783	2781	2862	3159	2365	4249	4167	2355	1892	3220	2280	0	1671	2962	0	0	0	2744	2967	2219	0	1474	28333	5594	4909	3629	7554	2604	4510	0	7100	5986	1505	0	0	0	2821	1506	2447	2760	0	0	2833	4931	3157	5888	6420	2295	2799	1853	2099	1550	5861	0	0	0	0	1881	1617	1293	2354	1842	0	0	0	0	3342	4737	13786	2715	6432	2220	6117	1627	0	1370	887	0	0	1046	2001	1917	1558	3639	0	171933	97935	5664	3832	1796	3129	3158	3530	1706	1461	2135	2450	4679	0	0	2737	1208	2211	1130	3005	A-Sugar	0.6666667	1.8333334	0.16666667
16	C6 H11 O4 N1	162.07608	162.07622	-0.030579524	162.07608	3497	2207	0	0	1733	0	0	0	0	2379	4956	1117	0	1543	0	0	0	2616	0	0	0	0	1308	2131	2379	0	0	47573	2502	0	1521	0	0	0	1946	2093	0	0	1313	0	0	2997	1807	2488	4537	0	0	3201	2090	0	1939	1749	0	3076	0	0	0	1677	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1824	0	1400	3290	0	0	3566	0	0	0	0	0	0	1953	0	2403	0	64063	41078	0	0	0	3360	0	1697	0	0	0	0	1340	0	0	0	0	2371	1816	0	A-Sugar	0.6666667	1.8333334	0.16666667
14	C6 H11 O4 N1	162.07608	162.07619	0.005756167	162.07608	3112	3382	4371	5043	2721	2950	1812	2537	2296	0	10969	16317	0	2239	5229	0	0	4636	0	0	0	0	2190	0	2287	0	1887	53088	5096	4854	4939	9968	5731	8430	2254	5568	3275	3337	1627	0	0	3683	0	2941	2936	0	0	2589	4620	0	4432	2597	1400	2589	0	0	1490	4897	0	0	0	0	0	0	956	0	1659	0	0	0	0	7948	16679	21627	0	9791	2466	13959	0	0	0	0	0	0	0	0	3041	3574	3373	0	155523	81339	2163	0	0	3181	3736	3243	2310	1427	1749	2053	32739	0	0	0	0	2553	1236	0	A-Sugar	0.6666667	1.8333334	0.16666667
20	C6 H11 O4 N1	162.07608	162.07617	0.14457616	162.07611	0	1674	0	0	0	0	0	0	0	0	0	0	0	0	0	1806	0	0	0	0	0	0	0	0	0	0	1177	3397	0	0	0	0	0	1278	0	0	0	1103	0	0	0	1382	2069	4035	3472	0	0	3319	0	0	0	0	0	3339	0	1221	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1400	3648	0	0	0	0	0	0	0	0	1201	0	0	0	0	28814	10883	0	0	0	3381	0	0	0	0	0	0	1267	0	0	1514	0	3837	0	0	A-Sugar	0.6666667	1.8333334	0.16666667
18	C6 H11 O4 N1	162.07608	162.07623	0.002767526	162.07608	0	1953	0	0	0	0	0	0	1009	0	1582	1235	0	0	0	0	0	0	0	0	0	0	0	1280	0	0	0	28096	0	1281	0	0	1619	0	0	0	0	0	0	0	0	1635	1623	2714	3571	0	0	2883	0	0	2406	0	1193	2520	0	0	0	1236	0	0	1994	0	0	0	0	1540	0	0	0	0	0	1243	0	0	0	0	2895	0	0	2036	0	0	0	0	0	0	0	0	0	0	48832	30748	0	0	0	3256	0	0	0	0	0	1611	0	0	0	0	0	2932	0	0	A-Sugar	0.6666667	1.8333334	0.16666667
8	C6 H11 O4 N1	162.07608	162.07631	0.09504661	162.0761	8237	9401	6552	5688	3389	13439	1993	4436	3093	1983	4819	3881	4429	3200	3985	2263	1589	3048	3749	842	859	3006	3857	2472	3139	0	2225	38504	4325	3289	3331	3061	5529	3352	1668	3849	2947	2621	3209	0	721	3593	1466	2190	2941	1615	0	1754	3618	2207	6239	8468	3331	3137	2595	2850	3084	5087	873	0	5075	0	3466	2715	2518	5142	3281	3995	0	0	0	2912	2628	3550	1998	3108	2237	3487	1320	15407	1863	2134	1411	0	1568	0	4142	3138	3843	4231	382747	253217	3582	9378	1930	2625	7716	6950	3035	2024	2835	2775	3490	0	0	3334	3119	1912	2867	4608	A-Sugar	0.6666667	1.8333334	0.16666667
2	C6 H11 O4 N1	162.07608	162.07635	0.024998983	162.0761	18465	14446	13070	15347	21633	103374	5284	17594	9616	5067	6862	9141	46024	25807	10204	8723	9824	33808	23662	4916	5226	14985	10767	17833	6979	934	3527	21661	29621	12847	22570	24452	27149	25761	19662	17464	23583	8096	10399	4242	2175	17468	5128	1816	2642	7172	2821	2154	21637	10188	14411	13879	17952	4905	11524	6248	5867	26284	4298	4693	14925	1270	30685	9298	6240	31048	19936	12425	1713	3998	2693	24118	23607	15593	1797	15430	1768	9014	10798	15751	7400	6173	2629	1572	6838	6814	15091	22751	24465	27010	91165	78931	21171	7213	2926	3884	14907	13376	8226	6830	6961	17224	11737	7466	3236	21281	5596	2160	7670	39603	A-Sugar	0.6666667	1.8333334	0.16666667
6	C6 H11 O4 N1	162.07608	162.07632	0.07976402	162.0761	12587	14823	11107	13326	4631	18277	3162	5937	4392	3527	9988	3231	6707	5910	5284	6182	4548	6911	6230	1184	888	4820	4051	7074	3766	590	2221	60334	6729	5103	5252	6447	9041	4994	2209	6331	7129	3942	5002	1126	770	5590	1883	1749	2462	2601	0	2048	5969	4614	13731	15089	4957	3017	3250	3207	2993	6582	2107	1717	6349	0	5371	2984	5856	7401	4818	4609	0	0	0	5832	5599	7243	1843	5242	1754	4653	2962	41368	2890	2405	1655	0	2722	3892	4030	4383	7992	6338	652482	442396	10197	16312	5887	2240	12823	10858	2929	2602	2842	7070	6085	1598	0	7003	1499	2170	3171	9570	A-Sugar	0.6666667	1.8333334	0.16666667
10	C6 H11 O4 N1	162.07608	162.07626	0.048166145	162.0761	4605	6517	4431	4163	1944	7813	1266	2008	2272	1086	3224	2769	3813	2107	4123	1760	1835	3022	1712	0	0	2869	3192	3069	2357	0	1497	35918	2994	2646	1513	4395	2500	2914	0	2763	3325	2264	2569	0	0	2783	2046	2177	2950	0	0	2779	1153	2015	4107	4962	2397	3502	1601	1660	1076	4488	0	0	0	0	2370	1311	941	3107	1662	0	0	1679	0	2102	1664	2034	0	2269	2766	2623	1849	15617	2478	1726	1191	0	1309	1221	1813	2158	3609	2013	189387	105856	4322	6226	2557	2587	3674	6538	1315	1486	1489	4159	2922	0	0	1884	1135	2856	2285	3244	A-Sugar	0.6666667	1.8333334	0.16666667
4	C6 H11 O4 N1	162.07608	162.07634	-0.021893406	162.07608	22209	23843	16019	18141	3397	39829	5925	10767	3058	2290	5318	7216	5505	4079	8905	13057	78950	13583	30851	1835	1971	3719	17674	22646	6395	863	8822	23937	10812	12038	11948	20697	27521	40397	3355	12841	25521	7616	78617	0	970	38387	24411	2417	3530	4858	1439	2484	15045	12446	18152	17244	6003	7187	2986	2884	5215	25915	1359	1335	9046	0	4858	2773	3252	9037	11108	62523	1551	1761	2400	15126	16964	18495	12173	14962	1834	6054	4811	41246	7761	2880	1944	810	3332	15421	7284	29171	211753	7641	349050	213582	8585	8530	3580	5461	17764	22474	3040	3081	3784	30394	10264	1865	0	17276	1991	2730	6118	6626	A-Sugar	0.6666667	1.8333334	0.16666667
0	C10 H11 O1 N1	162.09134	162.09161	-0.1298426	162.09132	4332	3201	3780	3043	4299	0	3553	6571	4385	2796	2792	3564	2222	3950	4443	6732	7612	6799	7802	3253	3766	3605	4123	4536	3433	1391	4545	5768	27564	3819	6460	8922	7469	8147	3384	11685	4888	4172	6743	2979	1859	5683	2286	1365	1459	2944	1630	1230	8134	5368	3245	4521	6393	948	4373	2651	3624	6556	1654	2081	4668	1427	3021	5496	4778	3394	4952	5839	1601	1501	0	4217	5870	7095	5926	11125	1217	2621	3685	1790	2548	2042	2404	1776	2858	4231	4709	5963	6787	8029	1837	2085	7232	1263	2863	1351	2807	4117	3656	2382	3002	4316	3640	2915	1803	6238	4354	1376	3306	6236	Phytochemical	0.1	1.1	0.1
4	C10 H11 O1 N1	162.09134	162.0916	0.051025826	162.09135	6620	8774	6396	7684	7050	5263	5840	7568	5331	10950	9044	4508	4493	5355	5475	10385	9608	10092	9436	5914	5678	6274	5452	8348	4917	2390	6263	25914	7508	5866	6466	8520	10840	8165	10259	7008	11376	4604	14346	4651	4371	7767	1517	1147	1304	4744	4260	1860	9393	5799	6690	5984	8764	1425	5518	2674	4607	11701	1567	3332	11784	2116	6644	5073	2921	8126	6765	12227	1830	3077	2516	5675	6155	5792	10288	7884	1075	4494	8102	5029	5683	3315	2481	3532	2626	3699	8164	8631	8052	10616	4696	2606	11179	2455	5781	2323	5962	6216	4216	3287	3236	10913	5842	3093	0	9103	3305	1508	4895	7657	Phytochemical	0.1	1.1	0.1
16	C10 H11 O1 N1	162.09134	162.09154	0.0326416	162.09134	5397	8697	4694	6534	11858	10428	7612	6973	4930	2847	4011	2886	3938	10405	6563	9516	13577	7776	10999	2857	2462	4325	8651	9065	7847	0	5775	8863	10100	8683	7259	7088	19123	9735	0	9915	17168	5001	15250	1875	2115	7973	2053	1713	1446	1393	0	2003	8303	7295	7347	5553	11345	1216	1992	2653	4988	13032	0	4693	7740	1189	2350	4214	4860	11189	13058	18181	0	0	0	5985	8584	6804	8935	8266	1521	5680	4503	6174	5603	3345	1937	0	2785	4059	9316	12569	8695	0	9896	6028	0	3368	2591	1420	4628	6173	8443	2477	2735	13212	5447	4000	0	20454	7479	1488	12229	5569	Phytochemical	0.1	1.1	0.1
2	C10 H11 O1 N1	162.09134	162.0916	0.027388701	162.09134	21444	21298	17992	19636	10815	0	14901	30927	8478	20548	13587	9864	7174	11555	10579	55398	22012	14725	18633	10667	7676	15211	9096	25454	28875	2003	23186	22433	96453	21908	25396	38284	48620	35574	12267	44433	43761	9348	23570	6931	4619	12615	1299	990	1369	9276	5635	1568	58009	16077	18832	19961	13530	1306	8187	4265	6450	51280	1451	4127	84563	2037	8938	8041	4964	12822	23824	26210	2298	6529	3557	21460	29107	21621	53059	40157	830	12401	28912	7850	10850	4407	2592	5360	5478	6581	34984	11725	14868	33714	13670	5929	42865	3170	7371	2013	18764	19906	7157	4949	5042	37453	10123	7226	2665	26519	4686	1567	17515	10298	Phytochemical	0.1	1.1	0.1
14	C10 H11 O1 N1	162.09134	162.09154	0.042799544	162.09135	8678	8243	6898	10414	10632	8397	11394	7608	1476	4535	6784	7331	2785	11084	3574	7830	12127	7677	6902	5487	3971	8847	6539	7636	5910	0	12893	9890	6675	6654	8001	13269	13827	12817	4499	8609	13575	5067	16340	4822	3864	9165	0	1281	1154	3107	6140	1892	13152	5685	7016	6289	10882	1498	1566	3243	5637	16399	0	5898	0	1765	1614	3868	5484	7645	11002	34845	0	1793	3700	14387	10542	9016	11828	13894	1108	8425	3625	0	3105	5241	6784	3967	1694	4596	8287	8896	9682	15444	15581	12848	9910	3625	3624	1806	8800	6386	4798	1824	1559	9127	4474	8397	0	11448	5932	1591	6063	3310	Phytochemical	0.1	1.1	0.1
6	C9 H11 N3	162.10257	162.1028	0.042151544	162.10258	6661	7099	5787	6369	0	0	1922	26947	0	1315	1922	2298	0	0	17420	23589	3062	0	0	1078	1515	4579	7669	6795	51374	0	2420	0	6509	764	1181	2230	10718	1900	728	1481	13174	8999	1659	0	592	538	0	0	0	2829	1627	0	1483	45180	6318	5350	0	0	0	0	513	19063	1070	0	12537	0	0	0	952	664	0	3524	0	0	0	832	0	3928	1145	0	0	1264	82364	0	28355	853	865	0	0	1744	108095	5360	3054	98604	14894	2161	126260	579	1410	0	6547	5994	0	0	0	10695	1394	0	0	33420	0	0	21593	0	Unclassified	0.0	1.2222222	0.33333334
4	C9 H11 N3	162.10257	162.1028	0.008786647	162.10257	540	809	0	809	0	261	0	1588	0	0	0	0	0	0	4550	2601	1005	302	0	781	1151	0	0	798	34903	0	0	0	0	0	489	1015	505	755	1068	550	560	284	0	0	0	430	0	0	0	0	0	0	0	925	555	0	0	0	0	0	0	983	0	0	960	0	0	0	0	0	0	971	0	0	0	346	0	386	0	632	0	0	332	0	461	0	0	0	0	921	706	0	745	1742	0	0	5508	0	0	0	0	0	0	0	0	0	0	0	0	2259	0	0	449	0	Unclassified	0.0	1.2222222	0.33333334
8	C9 H11 N3	162.10257	162.10277	0.071274094	162.10258	3769	3703	3136	2974	0	3163	933	1362	0	0	0	7599	0	0	719	9378	11153	0	0	0	0	0	2530	6417	0	0	1415	0	4851	28473	14672	10298	5638	13342	0	8210	6567	11674	5996	0	0	5534	0	0	0	0	0	0	18463	1174	3524	4190	817	0	0	0	1078	8172	0	0	15269	0	0	0	0	0	1446	13933	0	0	0	29216	4564	14557	20669	13090	0	5028	1256	0	919	0	0	0	0	0	1960	4738	3015	2969	0	0	2989	0	0	0	3001	2679	0	0	0	5495	4587	0	0	7851	0	0	2917	0	Unclassified	0.0	1.2222222	0.33333334
0	C9 H11 N3	162.10257	162.10278	-0.2734477	162.10252	0	0	0	0	0	0	0	2026	0	2469	7493	0	0	0	0	0	1496	1147	1888	0	1637	0	0	1854	0	0	0	37975	1149	0	1743	0	1250	0	2153	0	0	0	2249	0	0	0	0	0	0	0	0	0	1565	1955	0	1668	1128	0	0	0	0	2376	0	0	2015	0	0	0	954	0	0	2336	0	0	0	2059	0	0	0	0	0	0	0	1398	0	0	0	0	0	0	0	1496	0	2218	0	0	2372	0	0	0	0	0	302	0	0	0	0	0	0	2348	0	0	0	0	Unclassified	0.0	1.2222222	0.33333334
4	C11 H15 N1	162.12773	162.12799	0.074184135	162.12773	4176	3564	5885	4253	1954	2773	2574	5049	1149	13217	9791	2443	1027	2428	2055	5420	3358	3754	3689	10243	8064	3933	1780	3563	3547	1952	2536	25425	3873	3944	2645	4495	5581	4465	9914	3783	5386	1800	3909	4777	1924	3545	2293	781	790	3161	3716	1246	4625	4831	3626	3650	2800	1280	1032	812	1950	6024	942	502	3628	2968	1624	1003	1923	2419	3646	6017	1399	2348	2499	4015	4711	5941	4080	4179	941	2986	3133	4262	2616	1054	966	7158	910	1323	2247	3509	3673	10067	11493	816	7400	3748	8507	1211	3654	3026	753	1123	1192	4877	2102	1982	0	6469	731	1098	2877	1051	Lipid	0.0	1.3636364	0.09090909
2	C11 H15 N1	162.12773	162.12799	0.022971591	162.12773	24327	29475	29401	28624	5082	0	21463	28900	3248	13412	5359	8761	4635	7318	9353	113876	38217	9794	15091	6482	6059	53316	8833	55764	32860	1322	21201	7960	31373	23073	24498	43438	29547	27370	8200	35670	29655	9674	42790	3079	1908	7886	1026	813	970	6081	3322	860	40793	18506	29212	26962	7831	1640	3269	1434	4679	86877	1003	1609	87353	1557	2171	2597	11096	7879	13991	43452	1086	5287	3009	28274	31149	37491	46017	29315	950	10544	25093	3039	11365	1998	1369	2657	3872	10255	33770	22181	22733	349566	18451	7430	353770	2567	5385	1824	24924	24532	3708	1829	3287	29037	8095	5760	1926	107960	3651	1036	32527	4676	Lipid	0.0	1.3636364	0.09090909
0	C8 H19 O2 N1	162.14885	162.14911	-0.20273377	162.14882	5398	6029	6778	4495	30064	18859	0	12143	2446	2269	0	3102	50897	18866	1819	5238	5374	34319	23879	1761	5620	15468	7513	14399	2621	0	0	1363	12996	3369	11552	5907	27825	11556	5920	7208	10461	2355	7838	1681	0	3183	0	0	0	6150	0	0	10226	2390	5822	4579	18553	0	2499	944	1702	25775	403	0	8683	0	26270	7040	3885	22007	12910	7159	0	0	0	11065	10788	4716	0	7033	0	3774	1477	804	5316	454	0	0	2326	1526	1713	6252	8486	4480	2412	2288	20807	0	0	0	5356	4863	932	1123	1507	6646	2551	2326	0	38689	1714	0	2639	43105	Lipid	0.25	2.375	0.125
6	C7 H7 O3 Na1	163.03656	163.03677	0.21010838	163.0366	865	955	1089	776	935	896	1267	974	607	1211	894	1208	0	1051	710	2392	0	0	0	0	0	769	709	1033	0	0	1784	0	0	2116	2686	2518	0	3248	799	1264	0	1240	0	0	0	756	0	0	0	0	0	0	2519	1431	1185	1108	1050	0	0	0	1637	727	0	0	0	0	0	1058	2282	1411	912	0	0	0	0	2729	2105	1959	88919	2812	0	1491	0	0	1070	1270	0	0	0	0	1982	1418	1420	0	0	0	0	1431	0	0	791	0	0	0	0	0	1788	0	0	0	488	0	849	0	Phytochemical	0.42857143	1.0	0.0
18	C9 H6 O3	163.03897	163.03915	-0.04036352	163.03897	49163	45037	46646	49540	47980	36517	22479	30504	28757	20416	21799	24978	45412	51182	34530	28329	31330	48198	30444	15260	18259	31088	26620	26631	23356	15408	20492	16533	28207	26129	29469	30037	36688	22063	28001	27584	44010	23138	30764	20029	20214	30471	53496	43475	59843	23796	27902	63599	23430	18476	49547	50469	38968	45360	35916	30355	30526	31353	20107	22598	24263	16534	35271	30507	36046	54134	32111	30783	18446	15978	19497	20845	20742	28963	19009	32208	55219	20402	30882	18029	28346	22185	16401	16049	37019	33022	29257	32355	33831	586997	22072	24066	1023046	13321	23648	59325	44431	47415	29049	40919	45085	33605	28026	21098	15119	245382	25500	47155	20867	38295	Phytochemical	0.33333334	0.6666667	0.0
16	C9 H6 O3	163.03897	163.03917	-0.02085116	163.03897	9486854	9470854	8349685	8865258	711475	239853	64639	324353	67504	190577	88071	116811	863729	241083	289254	197705	3328229	674942	183534	187210	1005979	1142623	70461	590192	98378	74453	64995	201462	262407	377771	621018	431415	2812556	155915	1597945	411285	4210872	78180	2734089	139647	1536346	180134	609654	143023	162471	177586	3641673	243839	419705	323983	9448263	8990009	950864	119485	69708	83403	176873	403974	65032	1244777	287768	45886	678490	218154	168451	1986592	158846	3610090	62480	238882	1686067	234636	224622	339943	154003	465742	100953	68186	77116	154429	34899	75337	62180	61997	117246	175409	74609	1127456	224059	238482669	171040	982203	318140234	56659	201128	144663	8555213	10243561	86573	135475	192268	2907933	71597	185401	51655	111740656	161032	100869	110591	639397	Phytochemical	0.33333334	0.6666667	0.0
20	C9 H6 O3	163.03897	163.03914	-0.09161379	163.03896	77019	83992	77118	67449	80346	33063	23700	47082	28779	63714	80964	26158	74444	57064	33864	34528	161444	53922	35259	32345	94769	76213	24826	62535	24516	21313	24846	97449	41715	45820	58572	51459	154085	33959	80109	63323	98946	23122	125381	23669	167286	81998	66319	59715	69229	28771	1231113	87287	37240	39322	84546	81944	71905	133181	27036	35110	58459	41158	20649	142305	40347	16812	57397	66395	54466	105834	43917	190129	21995	22541	156937	32773	39440	42862	28694	66357	95966	25652	27628	40055	25028	63587	20234	13510	41280	58337	24958	86735	37638	210120	32713	103034	325771	25006	23734	78016	79614	84059	37252	44615	66481	114052	33519	28789	49123	920111	62841	63859	24989	51072	Phytochemical	0.33333334	0.6666667	0.0
16	C2 H6 O1 N6 S1	163.03966	163.03987	0.50217336	163.03973	0	289705	170229	25616	7103	0	0	0	0	0	0	0	2523	0	0	0	0	0	0	1882	0	5779	0	0	1429	0	0	0	2502	3301	0	0	19652	0	60245	0	101550	0	0	0	0	2789	6111	0	0	0	0	0	8324	0	0	0	0	1034	0	0	0	2379	0	5865	0	0	0	0	2546	0	0	26921	0	0	11041	0	5758	0	3202	0	0	0	0	0	0	0	0	0	0	0	0	0	3320	935491	0	16991	0	0	0	0	0	55112	0	1068	0	19666	0	0	0	0	0	0	0	3579	Organosulfur	0.5	3.0	3.0
4	C6 H10 O3 S1	163.04234	163.04257	-0.110664174	163.04233	1643	2142	2710	2011	997	1158	9819	3648	630	2434	3884	4627	987	1579	3308	3014	3159	589	1406	0	0	1209	1583	1885	1526	368	28934	21971	5251	2982	2504	2154	1437	0	658	3302	0	2756	3731	0	0	1733	0	0	0	0	0	0	13784	3679	2520	1780	2462	1106	437	0	796	23256	0	0	1553	0	639	393	0	953	4596	2736	0	3739	0	738	1080	14272	2676	4112	0	5627	1310	4393	983	1349	0	243	486	590	2576	0	2147	1747	6818	5932	3886	1274	1133	536	2166	1843	802	379	383	1960	4428	0	0	1181	443	0	1392	534	Organosulfur	0.5	1.6666666	0.0
16	C6 H10 O3 S1	163.04234	163.0424	-0.055971093	163.04233	0	5025	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2184	0	0	0	0	0	0	447	315	0	0	0	0	0	3803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	62115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	86533	0	0	0	0	Organosulfur	0.5	1.6666666	0.0
16	C6 H7 O2 N2 Na1	163.0478	163.0481	0.3671591	163.04785	0	1838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61662	0	0	80546	0	0	0	0	2077	0	0	0	0	0	0	0	23243	0	0	0	0	Peptide	0.33333334	1.1666666	0.33333334
8	C8 H6 O2 N2	163.0502	163.05045	0.08973258	163.05022	12848	15219	0	14485	6705	14347	14661	14742	5457	4051	6713	10172	4651	11213	8542	28798	23742	10647	8420	3506	3255	14996	15201	21194	12948	1572	16867	11835	28122	12456	19052	38958	23250	39967	7736	13507	29784	9099	34212	2254	2023	14291	3273	3251	3284	5766	2351	3420	24367	14194	14833	19388	10503	3140	5661	3074	7353	54829	2334	1732	50237	1666	6273	6080	6177	10740	16411	31459	0	3512	2086	23588	24914	11200	17084	31295	2563	11593	16027	12317	12965	5363	2500	2637	3235	3898	24377	12566	20612	38882	29182	18713	29370	5206	3407	3390	13602	12994	6959	3427	2917	13436	10237	0	0	40853	3725	3235	19542	8035	Unclassified	0.25	0.75	0.25
6	C8 H6 O2 N2	163.0502	163.05045	0.03275192	163.05022	14570	15575	11998	11764	11755	7045	8150	15924	6447	6052	3210	10068	8547	11065	8273	37815	16568	16985	14899	2292	1816	19610	8752	24122	8846	2017	8001	2542	18299	11856	18100	25390	30574	22791	5355	18505	22494	6296	28361	1868	1773	12366	2983	3045	2648	6323	1448	2924	19337	13413	14732	14969	13214	3328	4435	3906	6604	31546	1620	2147	35634	1350	6714	3330	6284	13632	15905	26584	1827	3202	2444	17468	17238	13228	15565	20165	2438	6922	8032	0	6240	4369	2944	1988	5191	5812	8638	17631	19998	62327	3221	2916	60075	1732	2341	3845	13245	14019	5151	4853	5071	22187	11312	1966	0	49018	5108	2858	10692	13290	Unclassified	0.25	0.75	0.25
16	C8 H6 O2 N2	163.0502	163.05032	-0.032266464	163.0502	1870	0	0	0	0	0	0	0	0	0	1302	0	0	937	0	0	0	0	0	0	0	0	0	0	1283	0	0	0	0	0	1686	0	0	0	0	0	0	0	0	0	0	0	1965	2836	2523	0	0	3048	0	0	0	0	0	2203	0	1069	0	0	1225	0	0	0	0	0	928	0	0	0	0	0	0	1305	0	0	0	2013	3156	0	0	0	0	0	0	0	0	0	0	0	1603	44322	0	0	0	0	0	2790	0	0	0	0	0	0	0	0	0	0	0	2408	0	0	Unclassified	0.25	0.75	0.25
4	C5 H10 O2 N2 S1	163.05357	163.05382	-0.002697249	163.05357	0	739	0	0	7539	4257	0	0	38269	0	0	0	479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	517	0	3286	0	536	2080	294	0	0	0	0	0	0	347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20687	1016	0	0	0	0	0	0	0	0	0	0	0	0	11427	3773	3315	0	0	0	0	0	7883	0	0	19880	Peptide	0.4	2.0	0.4
4	C6 H10 O5	163.0601	163.06038	0.22429346	163.06013	4984	5176	0	4167	12749	36701	0	9865	8476	0	0	0	35440	15219	6256	0	0	14267	16171	0	0	4318	4290	5656	0	0	0	0	0	5395	8962	0	11037	7698	5080	5100	4871	0	0	0	0	6485	0	0	0	0	0	0	6128	0	5493	5678	12008	0	15687	4636	0	4473	0	0	6323	0	35472	5466	0	18013	9661	0	0	0	0	11029	5197	6902	0	3448	0	0	0	0	0	0	0	0	0	2903	0	0	9777	0	9538	6753	7898	0	0	0	0	5717	0	0	0	4307	4626	0	0	6956	0	0	0	28379	Carbohydrate	0.8333333	1.6666666	0.0
2	C7 H6 O1 N4	163.06143	163.06168	-0.13679224	163.06142	0	0	0	1131	0	0	6816	2522	0	1300	2126	0	0	0	965	0	0	501	0	2227	0	0	693	0	17151	0	4699	1896	0	1006	0	0	0	0	0	0	0	0	0	3185	0	0	0	0	0	0	0	0	0	0	1459	1446	910	0	0	0	0	2670	603	0	0	0	925	0	0	0	0	0	6010	261	0	0	0	1488	2555	1153	0	0	3821	0	7103	2475	0	3442	0	1691	4791	0	0	0	0	5903	0	0	1156	0	2864	0	0	401	0	0	0	0	23552	4450	1308	0	15035	0	Unclassified	0.14285715	0.85714287	0.5714286
20	C10 H10 O2	163.07536	163.07553	-0.10797914	163.07533	285247	310802	296077	218297	274873	302287	353468	416521	238833	171813	145240	239355	271471	487682	349162	371183	321162	290959	347591	239638	152546	213292	221943	291654	225385	209049	403024	169424	393196	471222	252836	344928	466649	274892	162665	0	310082	306462	283979	192207	386678	4007153	223450	121085	131362	382509	341258	130910	377519	281134	308439	319184	233288	220619	286839	178746	224414	400384	236533	236891	256345	193542	243839	264336	212316	391817	312827	591146	170639	228310	182934	208797	309492	423908	439663	383700	125986	242703	257834	191524	232001	199203	234017	197886	312162	301812	236120	245892	332928	404775	278396	198296	441546	132083	216968	194642	293739	342173	229370	228086	289758	317675	247504	268497	156230	342835	231713	122402	228172	277921	Phytochemical	0.2	1.0	0.0
14	C10 H10 O2	163.07536	163.07556	-0.0746855	163.07535	2532163	2643816	2556212	2985864	4233176	7107530	437150	5487163	462088	2378625	226662	312410	1522080	11740370	433950	2875822	774870	3050424	5335087	3867991	533697	684866	345273	3650542	392888	201373	475760	340518	479014	5364054	2182798	4538911	1430678	2792081	769789	4797813	1097450	358268	851162	3997234	1019101	5902089	182419	142666	113221	8033045	5055298	155177	5545138	2810384	2362843	2284115	2190168	113258	509997	375756	423334	8340312	234179	488130	2371614	165161	679234	10913305	439494	3902503	4194608	1275082	157690	6005207	728355	3121905	2922824	4268956	2827246	5413136	109161	318984	340481	339891	334046	249232	380642	348352	445086	334599	488164	10813324	8322877	965378	7676230	683705	1160451	180965	4348503	217675	2335192	2344651	415571	513050	584952	967759	383345	2896629	162556	7397763	426690	149680	353942	508655	Phytochemical	0.2	1.0	0.0
2	C9 H10 O1 N2	163.0866	163.08685	-0.011191753	163.0866	13672	15634	12525	12652	14156	16358	7280	19390	5140	12288	6825	5637	6548	7411	6079	25811	14429	14199	13759	10150	6955	19904	5845	35972	18727	1942	12030	8236	20360	19273	21336	21941	19516	18671	11259	19201	16998	7107	19387	5255	3207	8994	1076	1020	795	9051	4812	752	26898	16892	14084	14019	16566	859	6805	2967	6217	39200	1520	2503	23829	1641	7562	6072	4530	10201	15387	20777	1012	5257	2717	17330	18721	18610	21942	17874	755	6936	8361	2838	8488	2906	2773	3040	4167	6410	9439	15740	13606	40651	57794	17912	49827	1886	3922	1324	13153	15317	5618	4640	4108	18657	5498	8759	2514	27134	7165	997	12640	9022	Unclassified	0.11111111	1.1111112	0.22222222
14	C9 H10 O1 N2	163.0866	163.08672	-0.053046018	163.08658	7648	13461	5743	6990	2298	5992	2404	10316	0	0	4791	26811	0	4574	5343	14828	4205	1375	0	0	0	0	4080	6863	4541	0	3005	0	15601	17383	38770	36496	8684	28798	2586	11688	6465	17518	8194	0	0	6231	0	1573	1196	2003	0	2096	19810	24974	9811	9163	3849	990	0	0	8269	20541	0	0	0	0	0	0	4067	0	7847	7631	0	0	0	60218	16435	13839	11885	75639	1009	29715	2640	0	1706	2775	0	1967	1293	0	8093	12132	6264	32683	30217	3843	5182	0	0	1760	7386	5827	1888	1255	0	5992	34291	0	0	15223	0	2035	9860	1680	Unclassified	0.11111111	1.1111112	0.22222222
10	C9 H10 O1 N2	163.0866	163.08678	-0.029105943	163.08658	7220	7427	5153	5012	2574	2339	26616	7516	2533	2860	3160	4263	0	1931	7136	14141	36954	1636	1883	1388	1639	5032	3670	7650	12321	0	39336	2927	7946	7514	4420	7262	7196	6744	2159	7335	9733	8409	65240	1554	1036	2791	2812	11360	9116	0	2428	10383	6630	5442	6405	8075	3319	9895	2321	1134	3967	9175	0	2217	10810	0	1543	1544	4388	1974	3556	49215	0	1565	1320	5742	5019	6698	21839	6625	3114	5496	9946	0	10026	2651	2337	0	1143	3856	13696	6520	4248	40645	5022	3382	13469	0	0	7685	7195	6230	2610	2282	930	12655	8881	2979	0	8926	3469	9452	20260	1539	Unclassified	0.11111111	1.1111112	0.22222222
6	C9 H10 O1 N2	163.0866	163.08684	0.04317221	163.0866	5846	6974	5735	6326	4496	2715	6875	14505	2983	2405	3406	4255	3855	2155	5114	13395	11640	5136	4831	1612	1482	8074	4502	18275	7179	502	4310	0	10098	9629	11096	13052	13048	12690	2911	11553	12500	5427	12616	1221	1024	5403	1364	960	786	2955	0	870	12473	8916	7391	6296	4555	839	2688	1430	3483	15448	1957	2447	15545	0	3440	1977	2747	4840	3947	12260	0	0	0	9793	9368	10765	5851	10002	971	4835	7052	0	5522	1488	2780	0	2156	4589	5563	8369	5060	24216	0	2904	20991	1163	1316	814	4567	5798	2138	1988	1685	10804	5319	2863	0	12284	3407	721	7865	5025	Unclassified	0.11111111	1.1111112	0.22222222
16	C9 H10 O1 N2	163.0866	163.08676	-0.041650537	163.08658	4773	2602	7490	7612	1568	4454	2478	60557	0	0	3924	25709	0	2592	14268	30746	6671	0	2550	0	0	2372	5740	8730	6487	0	4294	2463	12862	78778	17464	25124	5197	26947	0	19923	7320	16876	4675	0	0	12792	1238	1460	1128	4127	3509	1665	19465	71114	5110	5203	2804	688	0	0	2832	10386	0	0	41794	0	0	0	3659	2910	11620	4910	0	0	0	49046	26297	23254	14533	22073	553	13750	5452	0	1516	2082	0	0	1351	2215	14569	4793	3026	0	9878	3759	0	0	0	1503	6485	5254	0	0	0	8629	8840	0	0	14465	0	1508	14076	0	Unclassified	0.11111111	1.1111112	0.22222222
12	C9 H10 O1 N2	163.0866	163.08678	0.012551897	163.0866	3305	3933	2175	2168	0	1148	3901	2628	0	2846	23397	2477	0	0	1863	6875	5876	0	0	1390	0	0	0	4775	0	0	3687	0	2328	3967	2736	6223	1686	7314	3001	3645	7110	2451	8976	0	0	2048	1274	1895	1564	0	0	2510	6613	2625	2193	3044	936	1481	0	0	1365	4034	0	0	0	0	0	1066	1507	0	1423	4325	0	0	0	4482	2868	2560	6175	5097	2615	2054	2346	0	1846	0	0	0	0	968	2799	2738	1716	4563	8047	4151	4814	0	2434	1601	4366	3220	0	0	979	5381	1840	0	0	5118	0	2193	2741	0	Unclassified	0.11111111	1.1111112	0.22222222
8	C9 H10 O1 N2	163.0866	163.0868	-0.046153706	163.08658	24644	34169	27532	29275	20377	15936	29276	69803	10528	4166	5259	33513	6097	6589	30838	51279	75590	18006	18599	7512	6314	26351	26817	71423	30352	683	33369	4884	68060	64215	61337	74658	56475	67163	9597	82779	58732	27706	79143	3485	1691	23547	2296	1067	789	14053	2078	1184	59250	71761	28305	31970	17526	859	12148	2221	10940	53642	2084	3283	63112	1533	3824	10913	8432	11738	15713	68198	0	2502	1675	65208	57283	80017	52087	78056	1632	37961	22809	7545	26476	4649	2946	1579	5094	12403	22298	28699	25145	76867	0	0	81731	3331	1393	892	30453	33804	9677	2570	2646	56066	31016	3183	0	36622	11770	1190	39238	9616	Unclassified	0.11111111	1.1111112	0.22222222
6	C7 H14 O4	163.09648	163.09673	0.04910805	163.0965	33490	23021	42191	38335	12553	8921	5591	5559	4513	54295	44224	4673	12699	19469	4881	5114	3799	8631	5384	24801	40589	19161	3509	12851	5621	7004	7181	330452	7879	7029	5537	4278	3895	4230	12834	6669	2630	2388	3421	57141	36470	11306	84558	7446	8036	77629	85949	9660	7270	7115	33825	22959	6119	16267	5581	4491	7512	10836	118401	27969	51822	0	24584	6382	21248	29868	40637	6807	34204	33283	44608	6865	4626	8259	0	3507	10264	2441	3881	563169	3016	13671	5648	4481	8318	14413	2833	13633	4789	2228	28030	29353	6245	187805	134212	8529	47068	28121	6249	5390	12801	6768	2850	56094	1786930	4760	7706	17006	3518	7769	Lipid	0.5714286	2.0	0.0
4	C7 H14 O4	163.09648	163.09673	-0.046832535	163.09648	26898	39902	19528	20181	6781	62041	2605	12373	4579	26563	31260	3362	3828	14245	3993	6031	2123	3308	2243	6170	5480	27344	3091	6510	3441	3672	6960	43391	18365	0	14248	10291	4825	9253	20094	10204	3942	3426	2605	32116	20086	10957	10943	5651	6246	18662	18066	8084	14454	10683	24240	35292	4009	7335	4232	4701	6965	15381	11795	7328	38800	13541	7610	3765	7002	20992	8182	1806	6554	16387	13060	17719	14503	17357	0	14776	6551	6104	3241	109446	5104	10216	5633	4842	4422	4007	3281	12734	7192	3308	52070	12984	3357	41729	39306	8850	14574	20701	5608	4878	4499	3075	4145	14743	167701	6393	4748	7449	3696	6005	Lipid	0.5714286	2.0	0.0
8	C7 H14 O4	163.09648	163.09673	0.027693294	163.0965	6397	7221	7848	7910	2925	3698	3230	1064	3704	9699	18144	3555	6725	6971	3630	1109	1640	943	1238	2331	17980	1555	1209	1216	2017	2637	3850	16458	1929	1746	2451	1966	1837	2833	4366	1895	1392	4178	0	0	3191	2278	8265	10380	7621	6328	4875	9414	1470	1012	5804	7963	3981	7755	5128	3174	16760	2546	105524	3957	0	322420	5856	4908	30601	17979	13458	0	3544	5946	4937	2904	3002	1095	0	3319	7694	3639	2951	13275	1789	6389	3365	2711	4542	24993	1828	4495	4176	1506	0	0	0	7048	2328	8413	4867	5820	5808	4569	6354	1685	3756	2785	105347	2366	3652	10663	2082	2678	Lipid	0.5714286	2.0	0.0
12	C11 H14 O1	163.11174	163.11195	-0.058212526	163.11172	214369	299171	229792	249296	176363	136518	291191	178373	134832	125194	121583	113318	109239	233700	129528	384184	305249	188638	205618	177895	159215	184699	130215	163027	163808	121713	538375	97201	204963	243138	165513	323397	258337	211413	147477	237300	245150	155091	371525	102461	120446	178099	41248	32780	27564	114207	160166	37425	288151	194730	247965	285847	166990	29851	152276	129032	134978	327750	89679	166112	237999	67011	181385	116705	160771	195072	189592	340391	89996	107968	122067	133869	188814	269985	472000	280738	22719	118629	171180	125318	142102	132208	287496	309305	165308	156590	275853	156531	172461	357725	263301	200245	187287	93596	188784	38013	252609	242049	160117	195661	232059	302572	141423	162307	68018	205062	179866	30635	170896	147819	Phytochemical	0.09090909	1.2727273	0.0
10	C11 H14 O1	163.11174	163.11195	-0.021663697	163.11174	122180	109495	99840	99172	114313	78860	146583	109774	88253	68647	63856	89962	90741	129710	89318	163602	176980	120171	125282	98193	89175	89242	75324	93137	90097	87525	164206	59801	129313	123566	97503	133883	146145	100305	81623	132498	129203	84455	213267	67569	85833	93401	36407	29921	27881	84049	85520	34839	129769	93029	105000	117479	99173	26388	104802	98808	65486	178881	61535	93206	135321	44927	84744	72955	81255	108865	102609	210153	63780	71427	84772	79120	109952	125173	173009	126757	26914	64011	103074	70453	86744	87820	180768	168513	130000	95969	137611	87309	101325	161805	102846	86883	111554	60332	83253	32058	101924	113112	96123	151545	163150	142383	81719	99126	68763	96368	107239	29977	92642	85604	Phytochemical	0.09090909	1.2727273	0.0
14	C12 H18	163.14813	163.14832	-0.08667136	163.14812	4118	3478	2933	4543	5062	2555	14746	2814	3030	1832	0	0	3225	12520	2649	5823	6143	3329	3110	2804	3428	0	3940	0	3781	9007	17243	0	5533	2274	3275	0	4702	3296	2423	5610	4141	2988	5560	2239	4904	4149	2698	1912	2059	3264	0	2598	2763	3259	3950	5573	2369	2155	2737	4439	3934	3736	0	0	0	1695	4341	2093	7983	2349	5085	9207	0	2700	3309	2178	3756	4105	4882	5140	1652	1014	4724	0	2524	3562	20878	33518	5557	4008	4663	2011	2670	12599	3441	2673	2912	0	0	2357	4174	6105	3398	10554	12739	3860	3124	2473	0	3511	5492	2003	4293	0	Lipid	0.0	1.5	0.0
16	C12 H18	163.14813	163.1483	-0.14896558	163.1481	9907	11678	8034	9613	10702	8539	54711	8870	3995	3951	4628	6866	5351	43664	4388	13705	16013	5627	6775	6648	8891	8552	5367	5784	6214	23014	54868	6430	6961	7089	6244	5551	7690	3692	5392	8144	7850	5456	14123	4311	7872	7014	5923	3280	2600	4434	8076	3110	10069	7097	10851	10662	7535	3571	3706	7792	7623	13656	3190	8509	11232	3985	15257	3046	25106	7737	15170	14144	6192	5103	8534	6995	8516	12022	10457	10231	2834	4140	7072	18447	7067	9899	53663	92094	7954	6284	15411	6169	6558	27216	12636	7786	0	6733	5369	4344	11978	10473	9080	11267	14902	9388	5995	6958	0	0	10114	2885	8228	5557	Lipid	0.0	1.5	0.0
2	C3 H9 O1 N5 S1	164.06006	164.0603	-0.059490398	164.06004	21309	19406	20771	21707	2710	0	182181	10042	6050	8107	25210	0	1169	10959	3813	28127	0	1521	4188	5332	4669	8254	2835	10269	235418	76992	87735	15640	1180	17678	10826	8386	7982	950	19311	10690	2205	22884	0	9563	693	0	0	0	0	20845	833	0	12197	0	18539	20635	3402	0	726	1961	23079	10014	8515	0	8270	63664	2797	956	0	0	1725	0	89021	28303	0	1722	3798	10196	99694	9466	0	16618	72219	14651	187849	118891	333769	28121	17468	11762	20469	0	5810	5281	18168	11844	8959	24149	58187	7228	22908	18567	0	1436	2491	2283	575	21244	106239	10847	7279	0	133040	1784	Organosulfur	0.33333334	3.0	1.6666666
12	C9 H9 O2 N1	164.0706	164.07082	-0.023510985	164.0706	37583	43412	34154	45918	38193	36798	63271	40258	33616	10312	16081	23953	27298	43088	40217	68958	63314	34902	44786	13243	8627	30679	36040	49396	60737	6333	69251	17104	54207	44804	49378	71967	58949	59105	16687	51970	52062	49530	68685	11262	12122	35904	6610	11897	10335	14918	11067	13991	63432	41573	44320	54420	36866	8060	32797	22555	35907	59613	10717	8469	43940	4505	28704	19869	25015	33849	31134	66834	0	8701	6028	45235	43144	46215	72102	62508	7323	33103	45609	17754	53278	15850	17317	9535	34420	35572	64316	40623	44706	101313	36299	20844	65288	9135	15233	12161	39346	41155	31768	29844	31025	70227	34318	21301	0	57468	35016	10780	58905	40876	Phytochemical	0.22222222	1.0	0.11111111
20	C9 H9 O2 N1	164.0706	164.07079	-0.06799822	164.07059	4541	6175	5394	5684	5824	4109	7746	7953	4016	0	1763	5943	2491	7286	6118	5848	7620	4004	3812	0	0	0	6530	8663	7955	0	8478	1886	7782	8305	4985	8258	23283	7113	0	4865	66907	6293	10710	1945	1331	7645	4006	7591	6978	0	2054	8424	10022	5958	5162	7170	6737	6142	3002	2671	7394	11528	1520	2930	6155	1317	0	3797	4719	3613	6219	12116	2217	0	2696	8490	5108	4872	6194	6846	6625	5326	3788	2521	4501	2809	4795	0	3677	6571	4718	8090	6843	9052	6095	2635	8445	0	1670	8964	5034	3538	5557	4445	4995	20838	7887	3969	1852	8067	6072	7177	8631	4363	Phytochemical	0.22222222	1.0	0.11111111
10	C9 H9 O2 N1	164.0706	164.07082	-0.045097657	164.0706	51969	52049	42247	45329	55110	46989	76347	61676	49474	16523	18186	48114	43381	47085	58447	72401	101511	73291	74866	19577	21452	31253	44448	54742	67953	4641	87317	21210	60997	60873	57246	71854	94166	70641	17912	59824	87837	59950	129742	11531	13030	52201	11841	11628	11562	24113	11537	13473	66552	46913	44017	48431	55604	9511	47677	31647	33999	89812	15056	15796	63824	7839	40446	39681	32024	56556	50959	122743	6696	12410	8884	53320	64813	64536	70579	67837	10142	43595	57003	23809	63844	19478	17171	9708	41600	46256	72933	58918	60790	105795	25652	23586	72459	12688	16032	11472	49166	48084	43950	41865	40176	90870	50632	19303	0	64614	46505	10854	68574	59574	Phytochemical	0.22222222	1.0	0.11111111
8	C9 H9 O2 N1	164.0706	164.07082	-0.069218956	164.07059	42692	59088	35496	47339	64026	49253	64510	47754	63842	15353	20569	40333	51480	51287	79652	65167	88425	64873	87751	16234	14583	39153	54138	54642	62730	10319	65352	25192	55861	44949	48918	58887	89241	56188	26646	45853	83164	65853	105347	13749	14166	54304	11006	10689	12184	22021	13517	12543	66565	42987	47867	53365	62986	10960	67185	38418	48400	68488	14424	15943	57503	8040	55258	52594	36711	57823	51994	96096	8640	12419	12988	41219	43567	45587	55298	59950	8590	51885	51561	15677	48587	22808	19750	11375	45808	56154	65049	62801	64873	107463	27966	22890	90229	12906	14203	11859	44948	48315	54319	47729	50421	101629	51026	18412	8718	70195	50514	11688	57962	69944	Phytochemical	0.22222222	1.0	0.11111111
14	C9 H9 O2 N1	164.0706	164.0708	-0.069332115	164.07059	28088	28659	25152	31010	20129	18973	50239	36425	21026	6910	11333	32239	12227	28492	46262	43640	48713	19373	20017	5458	9080	18529	33875	31426	45483	2397	49508	12571	37054	51123	59479	55180	34803	70695	8131	49863	42348	43544	55181	8490	7765	26215	5322	9485	8263	9330	9897	11002	53323	34922	28158	26152	20904	7325	14312	17307	29510	51664	8536	9938	32908	4259	11322	19156	23102	23658	25729	55592	0	4050	7239	46018	78150	42887	37991	79884	8156	25447	31490	0	44597	12855	12622	8014	20893	23294	47410	33669	29690	70237	14682	17265	49927	4273	5502	11295	29063	23182	20319	21597	20207	48651	40664	13308	0	71351	18006	9506	44569	16727	Phytochemical	0.22222222	1.0	0.11111111
6	C9 H9 O2 N1	164.0706	164.07083	-0.08410356	164.07059	51116	58014	42718	52522	59326	41385	66970	69804	54405	21491	20498	46557	49075	44934	51069	81865	104079	84826	79624	17388	20027	36239	39293	58587	42059	8565	60952	21172	72452	65828	72575	79666	105412	78104	28047	73960	93257	42731	122108	8975	14346	53807	9885	10960	11479	25307	17303	11442	86317	62458	52475	49979	59864	11594	52674	35275	38701	98891	14554	18820	90227	8663	53746	45322	29003	55425	51010	125252	7848	12097	12404	55904	68228	66319	67540	69094	8075	39975	39519	15699	41872	18569	20984	10036	42779	47901	55207	63428	66827	98327	21026	18569	80734	12973	16496	14724	46755	44561	36500	37068	41966	106160	55353	22121	10093	71358	38791	10207	47383	70129	Phytochemical	0.22222222	1.0	0.11111111
10	C6 H13 O2 N1 S1	164.07397	164.0741	-0.10267556	164.07396	0	0	0	0	0	1137	1057	0	0	0	0	0	0	0	0	0	4023	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2844	0	0	0	1998	0	3073	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3416	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25795	3472	0	0	0	0	0	0	0	0	0	2127	0	0	0	0	0	0	0	0	Peptide	0.33333334	2.1666667	0.16666667
2	C6 H13 O2 N1 S1	164.07397	164.07417	-0.27139127	164.07393	1779	2439	2063	2699	1335	0	1036	4539	694	1362	5501	792	1144	44094	680	14279	2226	979	5938	0	465	0	1879	3527	1922	0	1335	59656	5822	3695	7695	3216	2730	558	1658	6159	1668	753	1540	0	0	0	0	0	0	1122	0	0	3040	3331	2565	2448	9455	0	0	3494	1184	23285	0	0	3953	0	383	0	2658	2872	5242	1538	0	1915	0	496	833	6807	12364	3687	0	569	932	2081	901	0	0	0	0	2034	1591	1666	7674	0	1767	4310	0	314	0	0	1725	3328	1802	4954	1583	1862	602	0	625	1157	1385	0	810	0	Peptide	0.33333334	2.1666667	0.16666667
0	C7 H9 N5	164.09308	164.0933	-0.31245717	164.09302	4136	3816	3306	3885	3655	0	4346	5806	1409	0	0	0	2748	17974	1312	22215	7411	10555	6193	0	0	1726	2782	5658	7061	0	10088	3682	15657	3491	11361	7892	15502	10989	0	7997	10139	1940	7263	0	0	5821	0	0	0	0	0	0	12833	3583	4275	3059	57127	0	736	409	4219	10165	0	0	10096	0	0	2347	6077	12142	20744	14985	0	0	0	3869	5040	2212	28868	4224	0	1494	8083	0	4947	0	0	0	1181	7838	7152	18787	11908	5864	0	0	4375	0	0	0	2692	5087	1268	0	0	8643	0	0	0	7423	617	0	5271	1229	Unclassified	0.0	1.2857143	0.71428573
2	C7 H9 N5	164.09308	164.09332	-0.08811589	164.09306	30774	40700	33948	34224	43044	143751	30966	51885	58709	9024	4318	11540	26264	68377	6691	22803	33581	119926	61458	878	610	23212	11118	47210	33325	0	20819	6683	71119	39981	82702	80050	58514	102381	2595	70348	37310	7001	36640	810	0	52983	0	0	0	9104	548	0	55850	36857	34934	37442	60247	0	17415	12389	16408	77325	0	0	41890	0	23817	16456	20932	62896	89746	68193	0	11526	1916	45103	83932	36258	12626	61247	0	9923	19397	4094	23181	0	0	324	23382	20043	22646	35261	59027	55294	0	0	61649	1212	1782	0	35491	29369	32686	3892	9365	45618	10526	394	0	64543	7093	0	31250	42799	Unclassified	0.0	1.2857143	0.71428573
14	C10 H13 O1 N1	164.107	164.1072	0.030742459	164.107	65022	53844	47585	49919	28896	19339	48961	64256	6170	15458	33996	29451	14967	74014	21246	153957	45816	13802	26548	6795	9144	32697	29560	131058	32838	2057	62157	436237	50598	138280	124729	119616	42660	164474	7846	92971	72799	22128	49060	5560	14001	34129	4297	1568	1567	30233	10808	2471	86754	71406	59043	52198	46642	2944	18790	6450	22029	233094	0	13986	126309	2342	10814	8544	20421	27800	63721	75498	0	6876	10486	86440	107284	149470	133090	136495	1120	18629	17909	16707	30661	9392	9720	7230	6245	17812	37223	87237	103534	167741	27664	23197	92825	6690	10322	2470	65431	42356	10967	12163	28553	77586	25727	10573	0	125540	16004	1839	92321	2643	Phytochemical	0.1	1.3	0.1
12	C10 H13 O1 N1	164.107	164.10721	0.051086925	164.107	8599	14067	8331	9791	4119	3078	6651	12489	3423	4907	7391	6064	1900	5253	7668	26893	14128	2684	3403	6083	4765	8903	3476	20020	3952	1754	13844	9121	10579	14868	17297	19761	12854	16614	4669	12880	15034	10879	18698	5912	7205	8486	1249	1450	1284	3760	6002	1314	20462	18069	13927	15830	6387	1546	2223	2530	3990	22056	0	0	15886	0	1940	1988	2134	4631	6046	14398	0	1683	2660	23203	13863	11448	23176	19331	929	7065	4502	0	4445	4162	5103	4596	1761	2855	5024	11143	11024	26140	9286	4679	18123	0	5788	1746	13118	9302	2160	2551	3166	20322	8441	9041	0	13307	3432	1340	7364	4485	Phytochemical	0.1	1.3	0.1
2	C10 H13 O1 N1	164.107	164.10724	-0.059652533	164.10698	50490	51618	44061	46378	477241	175175	25867	53501	12648	25982	16953	17668	18143	14552	17714	91282	55932	20132	29747	22049	19808	19534	13752	39536	28721	3090	42921	19059	94047	71113	64343	78773	75685	65477	19620	76704	70234	16283	49083	11835	6302	102652	4315	1488	1427	11563	11087	1464	604799	42018	44911	50131	255886	1251	10655	4625	137963	65906	1860	5707	84227	3410	14253	7567	8798	37268	95797	75935	2815	7126	6094	37338	67606	68049	100907	75871	1253	19949	33499	12139	13460	4943	4604	19676	7150	7192	28385	18243	24254	62440	19530	9713	52751	5997	15782	2439	44084	44439	119513	14214	12425	70610	19023	18339	4544	44480	215647	1554	22905	19950	Phytochemical	0.1	1.3	0.1
2	C11 H17 N1	164.14337	164.14362	-0.079829045	164.14336	12760	12988	7813	10916	1411	0	10190	21396	313	9976	3663	5191	578	4660	3812	33125	24945	1983	2578	10650	7738	4229	2496	12750	5783	0	9763	5576	77167	70312	191040	18070	27738	11719	7788	25415	38417	2346	23533	1151	0	8649	206	0	0	1675	1685	0	98324	0	9796	11859	2210	0	576	0	1311	17009	0	0	17510	0	459	357	0	2495	10347	25016	0	794	712	44923	52716	28638	31325	101014	0	5731	2606	0	1902	0	0	601	0	953	2569	3069	3801	26755	12851	929	22028	1211	8790	0	11977	11122	0	267	0	43635	4126	2408	518	52142	253	0	2495	0	Lipid	0.0	1.5454545	0.09090909
6	C7 H9 O3 Na1	165.05222	165.05235	0.058632962	165.05223	0	0	0	0	0	0	1575	0	0	0	0	0	0	16373	0	0	0	0	0	0	0	0	0	0	0	0	1182	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1333	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	938	0	4142	0	3904	0	0	0	0	0	0	0	9552	0	0	0	0	0	0	0	2665	26581	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.42857143	1.2857143	0.0
4	C7 H9 O3 Na1	165.05222	165.05252	0.25798312	165.05226	0	0	0	0	262	0	302	0	0	0	0	0	0	2332	0	1018	0	0	256	0	0	0	0	0	0	0	882	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2137	673	912	0	0	0	0	0	491	331	32001	0	0	0	0	0	0	0	1071	3494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.42857143	1.2857143	0.0
12	C9 H8 O3	165.05463	165.05484	0.010502187	165.05463	207018	282350	223704	245580	360073	282355	215264	209137	369352	93875	125444	132554	412000	353943	209495	289611	216881	458615	422611	121951	112843	160023	224202	197501	184140	52455	267957	139474	273009	249372	252730	272375	321606	230711	141889	233818	278591	229116	241334	92231	89614	253025	62903	80814	85621	114485	83390	100624	281215	186269	254063	264500	319831	73178	366619	258266	222987	275371	90054	94847	261750	64362	450124	277127	194641	454972	269769	214593	80190	80421	90079	207718	222844	242954	220350	263515	60859	182504	186052	120775	191969	114990	109083	76697	271128	224743	262920	225221	284747	194673	958130	674492	173037	80447	103306	97997	248819	254010	285341	324563	343788	308407	203245	96753	69443	216363	279695	86507	165695	472166	Phytochemical	0.33333334	0.8888889	0.0
4	C6 H12 O3 S1	165.058	165.05826	-0.07646537	165.05798	828	902	0	0	940	1386	0	719	307	0	1527	383	528	2178	734	0	897	499	537	0	0	0	367	464	0	0	1820	93400	0	1352	961	0	556	0	0	807	0	602	843	0	0	1308	0	0	0	0	0	0	0	0	809	556	1295	0	0	287	587	929	0	0	542	0	923	0	1081	985	688	0	0	0	0	0	0	1624	0	1054	0	500	443	4209	0	6182	0	0	424	440	2986	0	630	1375	0	1863	555	716	0	0	804	0	557	0	0	1047	589	0	0	370	476	0	0	0	Organosulfur	0.5	2.0	0.0
4	C8 H8 O2 N2	165.06586	165.06612	0.013070579	165.06586	10090	10151	8217	10656	22770	11295	7327	10944	14410	3827	3526	8930	14093	8950	8834	13594	19678	36399	34507	2533	2557	16589	10485	14509	7407	1799	7448	3223	7636	6698	11619	10379	13563	9523	4547	7432	11636	7975	23506	3571	2223	19999	2092	2382	2803	5098	3552	3586	10060	8940	9056	8510	24973	3077	13539	9293	17451	14688	2622	3253	13024	1504	17025	13080	11811	16525	12661	17364	2169	2176	1749	8780	8078	6866	7631	8560	1948	6812	9102	0	9758	4399	3323	2092	10003	16383	9554	28493	19986	25158	5409	3100	27944	3172	3125	4470	10264	9308	16190	9579	10585	11530	9540	5181	0	16618	14524	2734	9161	22720	Peptide	0.25	1.0	0.25
6	C8 H8 O2 N2	165.06586	165.0661	0.025145113	165.06586	9899	9943	7982	9853	24163	12441	9842	12436	10076	3381	5281	8607	10373	8336	9910	13569	15253	11435	12218	3051	2735	10071	8286	12517	8004	2116	10112	4496	10965	10029	10718	14991	13973	11772	6621	11903	16745	10374	17948	1552	2894	10300	2437	2226	1968	5084	2588	2345	11112	8372	9518	10419	15803	2813	13026	5790	9483	15813	4203	5149	11404	1612	17433	11923	6086	13598	10494	17141	2139	1442	2885	9080	13332	9046	7591	9983	2165	6572	9317	0	6376	4517	3835	2681	18932	13420	10850	11571	12848	24101	10696	8387	20672	3479	3173	2841	9049	9689	12781	8299	9514	13460	10450	4359	0	12796	23788	2208	9279	13680	Peptide	0.25	1.0	0.25
10	C8 H13 O2 Na1	165.08861	165.0887	0.48279142	165.08868	0	0	1285	1134	0	0	11618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11465	27358	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2590	0	0	0	0	0	0	0	1089	1100	0	0	0	0	1344	0	0	0	0	0	0	0	35212	0	0	0	0	0	0	0	0	0	1158	0	0	0	0	0	0	1874	6509	154319	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4976	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.625	0.0
12	C9 H12 O1 N2	165.10223	165.10245	-0.007573398	165.10223	4117	4160	5211	4706	1579	1602	10130	7558	0	2762	2755	2253	0	0	2715	13631	9027	1334	1499	0	0	8360	1603	15402	3845	971	5546	10924	9323	10347	7550	13517	10786	13981	2251	8845	9815	3097	10539	0	0	1500	320	692	784	1505	0	884	12584	8543	4657	4205	1411	700	0	1211	1660	13111	0	0	16134	0	0	1125	1261	1613	3644	8234	0	1319	1601	0	14896	8036	16489	10613	349	4375	4572	0	3622	1794	0	0	2050	1526	6100	2614	3999	25564	0	2870	27516	0	2127	632	3326	4821	0	0	0	6969	4904	0	0	12145	1032	835	8401	1695	Unclassified	0.11111111	1.3333334	0.22222222
10	C9 H12 O1 N2	165.10223	165.10243	-0.002049237	165.10223	4392	3748	5026	4592	12837	10481	4143	7213	12516	1463	2502	3976	6714	3704	4544	10398	9281	6080	6478	1290	2996	4692	2654	8175	3328	0	7025	5411	8348	6486	6165	8164	6991	10123	1978	9342	8063	3312	10164	0	2117	5657	1032	1020	859	2871	0	993	9141	6418	5012	3840	8337	842	1925	3970	2795	9166	0	2633	0	1373	3375	1852	1923	8673	4167	10040	0	0	0	8275	9375	9024	9116	9538	754	5369	3097	0	2238	2091	2195	910	3715	2958	5977	5448	3029	7123	8056	6227	7747	2832	2666	975	5693	5319	8422	4343	6101	5917	4855	3731	0	5008	10326	736	5710	24709	Unclassified	0.11111111	1.3333334	0.22222222
4	C9 H12 O1 N2	165.10223	165.1025	-0.024198664	165.10223	7622	8079	6564	6245	3614	2201	8684	9406	2747	2422	1883	7452	2071	2531	6688	12776	31607	4772	5005	1945	2409	7909	11550	11163	3754	1857	8521	0	7711	7678	7666	8402	11403	8039	3913	7706	10751	13049	31947	1884	2108	5381	0	652	704	3621	1843	924	10607	7808	6140	6276	5074	546	2869	1824	5311	14941	1448	4204	12918	0	2643	3155	5362	5282	4479	29899	0	1824	0	7536	8211	7358	12057	9349	540	4355	9359	0	9272	2597	3600	1046	2301	6774	11766	8473	5973	21248	4544	2636	17465	1607	2278	1109	5918	7694	4087	2967	3337	11473	9413	4016	0	9040	3346	690	9662	2579	Unclassified	0.11111111	1.3333334	0.22222222
8	C9 H12 O1 N2	165.10223	165.10246	-0.032331005	165.10223	15412	14472	8366	14885	6786	11034	15919	26956	3604	6503	3791	15840	3786	5264	14665	32728	38444	9403	7616	5111	5559	12878	9174	30236	15417	860	20068	7679	35590	25956	24354	39918	25008	35508	10169	29396	34173	16555	47320	1751	1731	21180	567	664	639	9399	2922	752	37487	25823	15350	14579	10290	684	4037	1175	13803	29528	3368	4757	35913	1433	1610	4819	4574	7252	23542	35661	0	2151	2231	26488	39471	41047	37274	42429	533	13015	11053	7340	10457	4306	6459	1715	2274	3836	12398	14335	16038	25896	0	13829	23167	3658	4975	680	15222	12821	3052	2619	2188	30479	17779	6426	0	29640	5053	676	20568	4096	Unclassified	0.11111111	1.3333334	0.22222222
14	C9 H12 O1 N2	165.10223	165.1024	-0.041869864	165.10223	4350	2784	0	2654	3029	1845	0	4780	0	2321	2049	2092	0	1760	0	4794	3383	0	0	0	2215	0	0	3800	0	0	1591	0	3361	3866	3114	0	5586	3153	0	4154	6327	1401	3105	0	0	1700	0	555	560	0	0	727	5122	1520	2758	0	2419	345	0	0	1590	5215	0	0	0	0	0	0	1021	0	0	2391	0	0	0	2638	5299	2400	1746	4329	444	3806	1501	21506	1416	0	0	0	1117	0	0	1537	3391	5267	8179	6790	6659	0	2245	821	1968	2577	0	0	0	5108	1585	0	0	6394	0	442	2439	0	Unclassified	0.11111111	1.3333334	0.22222222
8	C7 H16 O4	165.11214	165.11243	-0.108468466	165.11212	1379	2570	2416	1903	0	0	0	0	0	4236	11148	0	0	0	0	0	0	0	0	0	9286	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6839	4495	0	2190	889	827	4617	8373	947	0	0	2905	1533	0	717	0	675	541	0	18765	4205	0	14378	0	0	0	1396	1161	0	0	0	0	786	0	1007	0	0	1531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	655	1628	2113	0	0	0	0	0	1719	272605	0	0	1107	0	0	Lipid	0.5714286	2.2857144	0.0
6	C7 H16 O4	165.11214	165.11238	-0.06931758	165.11212	906	1474	1305	1042	518	0	0	0	0	5918	6812	0	3849	25918	0	0	0	0	0	0	10798	0	0	0	0	0	0	0	0	584	0	0	0	0	928	0	0	0	0	0	738	0	2219	831	685	1487	0	526	0	0	2312	1172	0	327	0	0	565	0	9424	800	0	12091	0	0	386	2475	545	0	0	0	0	0	0	825	0	0	1128	0	0	0	0	472	358	0	0	0	0	0	0	0	0	3066	0	2225	0	540	811	1393	3682	0	0	0	0	0	132692	0	1072	628	0	0	Lipid	0.5714286	2.2857144	0.0
10	C7 H16 O4	165.11214	165.11237	-0.010602697	165.11214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1267	1063	674	0	0	853	0	0	0	0	0	0	0	0	0	0	0	0	0	1645	0	0	0	0	0	0	0	0	0	0	0	996	0	0	1287	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	680	0	0	0	0	0	0	0	0	65014	0	0	865	0	0	Lipid	0.5714286	2.2857144	0.0
4	C7 H16 O4	165.11214	165.11238	-0.070783205	165.11212	48620	54551	52189	54886	9355	5564	1148	2528	853	311417	260411	483	27730	36060	1851	2160	2068	2013	1361	6550	402061	10415	925	3434	1294	1408	1201	22861	1808	12191	1368	1795	1246	0	93002	1140	1861	1996	1041	119332	61104	7150	101337	864	1070	41153	94787	2840	2001	1713	51721	51295	10862	1851	1981	1429	33212	3145	238283	23443	3432	296112	24395	2367	32511	373638	88811	3590	5961	11797	20638	6265	0	2124	1291	1391	1841	923	1181	34046	1310	3144	1590	21331	4487	15393	1476	3776	2190	2008	51792	169185	3752	519369	207207	1444	56177	57087	6146	2288	0	1953	726	20906	1817360	9606	9370	3455	1588	798	Lipid	0.5714286	2.2857144	0.0
12	C11 H16 O1	165.1274	165.12761	-0.00692972	165.1274	43757	49674	41354	46431	23798	22186	118094	30236	19571	20111	24642	17514	19333	250483	20323	50277	57108	16355	26468	21675	23107	29258	21571	26213	23192	70471	165278	17921	32107	37710	27573	45750	35355	26506	21158	37962	31769	23598	60138	15629	19968	30763	10713	7351	6098	18340	28711	8266	42908	29118	49600	44563	25417	6533	17561	30533	26052	53487	14830	22308	38339	12064	48186	15020	119878	20115	80708	42154	0	32707	24202	19600	25391	41612	59488	46463	4365	18207	28459	22711	20532	27815	115001	434609	24274	21136	40521	23150	26653	69024	43181	35046	36931	13829	28987	7158	42328	40629	28622	27850	32997	41546	22966	22151	0	27194	25252	6000	26808	23327	Lipid	0.09090909	1.4545455	0.0
14	C11 H16 O1	165.1274	165.1276	-0.05204937	165.12738	65793	65044	51263	60896	43337	48552	184378	54829	30262	41293	43923	33395	33693	173187	38184	64291	92611	42857	42813	55942	56744	48571	29908	29920	41689	77494	188575	66146	62459	52886	50249	82419	58987	60114	39103	64568	49388	34333	110765	25699	33859	51796	17677	7478	6586	40155	46014	24585	67840	39054	60024	50129	38075	9889	27608	34856	44309	83204	20729	45308	57328	17569	56871	24977	109389	65763	96569	99724	21883	38145	42420	43832	53580	70165	71114	68841	7007	28715	39628	79158	29168	45609	185998	481506	43187	35812	68660	42703	59658	113104	107332	73016	50043	33717	50587	11142	59748	45021	51383	49625	50830	59831	33712	41126	0	51111	40112	17718	48717	26887	Lipid	0.09090909	1.4545455	0.0
10	C11 H16 O1	165.1274	165.12761	0.02524116	165.1274	17284	16559	14714	14477	16495	14760	41609	18029	9758	7455	7339	10549	12828	39675	14899	22669	26283	14836	15673	13005	7962	12870	9400	12993	16552	22205	47494	8778	19255	15475	16240	17249	20309	16703	10416	20221	17279	11697	24719	6391	9793	15254	9986	6497	6125	11470	10905	7539	20823	13315	16329	21349	13129	5412	10504	14625	11115	24853	8916	13261	22579	4680	14909	9188	21750	10555	20309	27489	9586	14867	12452	11022	14369	19939	24322	19990	4825	9630	14111	10631	11846	11701	41012	143913	16835	10973	20060	10199	14864	30407	14022	11926	16107	5784	13598	6401	13441	21450	14775	17711	22064	17267	11585	14416	0	15631	16246	5744	14752	11654	Lipid	0.09090909	1.4545455	0.0
26	C11 H16 O1	165.1274	165.12758	-0.066474654	165.12738	158615	160877	161738	140400	115120	123347	321475	177214	72696	44624	62536	120960	64562	180474	120039	210197	211333	86751	130297	80486	49358	86833	96679	143872	107065	63505	324667	111789	185495	185396	166144	244066	192935	105886	57132	245925	178863	119268	256515	72876	76253	182965	23447	17959	16005	78352	54656	20924	228412	147477	167820	156913	102028	19524	86110	147326	273859	252556	84944	117774	229123	41453	76744	56668	347900	85988	164380	280342	49796	63094	57849	79711	110126	206317	142678	222264	17263	123050	114719	128569	97794	80665	160042	100106	228376	467568	198447	228592	162976	240217	331520	347900	186012	53666	64437	18821	155094	157136	106859	244755	599640	228292	114792	130448	57319	159241	390140	22011	151046	71701	Lipid	0.09090909	1.4545455	0.0
2	C11 H16 O1	165.1274	165.12766	-0.026439235	165.12738	9339	7820	4230	7959	5363	0	5213	5255	6087	20384	5123	4493	7157	33108	5057	11174	3727	6893	6641	10827	7025	14161	4244	0	6245	3759	6402	2951	8116	6647	5415	17469	7121	38227	9800	7435	44035	4383	3074	9051	5504	7740	6758	6040	7098	7869	5859	7103	11985	4112	6443	8510	4780	5670	4320	5488	6143	9196	3900	4091	22862	4818	11127	4529	4292	10182	23002	4902	6024	12521	9680	7282	9591	5564	7422	8264	5976	4006	3978	2068	4682	5539	4489	7017	3770	3519	6070	10574	26848	6995	12440	6262	19502	3434	8932	7930	7534	7355	5588	5542	5020	9943	6481	15221	5860	6615	4002	5486	4089	6865	Lipid	0.09090909	1.4545455	0.0
18	C11 H16 O1	165.1274	165.12758	-0.056275267	165.12738	88206	104172	94538	87423	84043	78460	353413	88447	44721	50926	64335	74774	69914	195710	84350	136384	232356	62777	85216	61725	54616	72939	73204	72370	70875	72350	343227	73794	111348	112011	90081	120228	115676	105345	40615	113828	103888	79483	237133	36745	61666	86403	37008	13003	13302	53962	66770	16778	120045	81903	93621	105639	75508	23038	46076	65160	80828	146523	39571	90797	107408	29866	87667	44705	149481	95595	146142	282456	27504	29733	45517	54764	82312	114333	182868	131688	14264	53518	89801	139023	65910	72147	232446	401526	70415	82977	134881	81069	91816	292890	156024	129491	109585	48431	75871	19409	105292	109320	85307	81051	110411	123624	64299	67798	37911	94962	68707	14157	98979	57888	Lipid	0.09090909	1.4545455	0.0
16	C11 H16 O1	165.1274	165.1276	-0.040278584	165.12738	77839	87125	78087	76922	64764	57390	324079	73235	42587	40297	49289	54415	50172	185577	56680	107415	177141	67781	75762	51028	53627	51526	51287	53236	55764	123419	329991	58974	84013	100236	69230	117430	87086	64401	42444	106346	80502	56519	199221	27315	48254	76829	42486	13156	10484	44343	52623	15682	100208	74714	89828	83342	60504	19358	37665	54159	61951	120552	34718	79511	84211	27030	63952	33018	136841	81942	112721	169944	30207	29540	45453	50249	87119	143575	142494	105167	17740	40127	58628	96146	42991	58830	277732	663544	58896	53618	105526	57715	70245	157765	113035	97368	71923	43506	50713	17449	74218	81183	66375	67658	79330	102794	42696	54746	32185	70118	53447	10900	80644	43523	Lipid	0.09090909	1.4545455	0.0
8	C11 H16 O1	165.1274	165.12762	-0.002454007	165.1274	11488	10884	8051	11202	9992	7637	38826	8307	7046	4633	5502	5766	7974	48552	8804	13822	12082	6066	10146	8432	5988	8869	8196	11487	7758	57715	47343	6805	10517	9755	8987	11093	8766	8003	5431	8461	9510	9301	13319	5320	6928	10578	6734	5688	6285	7890	8135	7272	8269	7900	9228	13630	8134	5632	9159	12862	9590	11071	7108	6454	9262	6427	12648	6732	19260	8539	11398	12562	5360	14208	7313	6751	8673	8742	8572	12401	5285	6852	9117	5571	8520	11448	38718	364558	8871	8316	11087	6658	7261	16483	0	11090	12667	7312	6548	5852	10424	13390	15829	15054	15028	7614	10459	8367	0	8818	8822	5095	9387	8106	Lipid	0.09090909	1.4545455	0.0
18	C12 H20	165.16377	165.16388	-0.13685155	165.16376	0	0	0	0	0	0	40050	0	0	0	0	0	0	18597	0	0	0	0	0	0	0	0	0	0	0	10039	46028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2269	425	437	0	0	643	0	0	1584	0	0	385	0	0	942	0	0	1153	0	0	4435	0	9468	0	2723	1672	0	0	2474	0	0	0	0	0	798	0	0	1874	0	0	39846	86356	0	0	0	0	0	0	0	0	0	0	0	718	0	0	0	0	0	0	0	0	0	0	0	566	0	0	Lipid	0.0	1.6666666	0.0
22	C12 H20	165.16377	165.16396	-0.018935695	165.16377	12684	12962	11510	9323	5854	13902	166607	4443	2264	4671	14429	5760	0	294388	5330	4025	11603	0	3451	3495	2427	4178	2790	1306	3403	17490	177381	20482	5229	6543	3417	4321	2096	4761	4750	3823	3279	4089	12978	1743	10909	13609	32618	10323	11899	5350	12215	9006	3915	4529	11701	10992	4592	14750	0	20779	22474	6075	3615	23711	12843	3392	32019	1080	185551	5056	49967	12976	11191	5778	11471	4122	5709	5571	5801	7076	14276	2879	1492	27573	2116	15069	50543	78103	2319	5093	4001	5856	8068	7073	15954	10533	5623	3861	6250	12869	10512	10332	49005	1987	3177	4936	3874	12428	9040	2750	4481	11414	3223	6113	Lipid	0.0	1.6666666	0.0
26	C12 H20	165.16377	165.16397	-0.003843223	165.16377	15056	12178	13244	9905	7024	7611	177750	6838	5100	7874	30555	7077	3995	93690	7342	5689	11239	0	4015	9325	8215	5398	5600	6043	5775	25619	145847	49795	7283	8498	5276	5436	5005	6173	8880	8762	7320	11556	15465	6996	14035	9954	12420	7923	0	8576	7474	6270	8525	9004	12582	9409	9645	0	5608	18908	16319	7713	8728	19443	13518	9915	19245	4934	123630	7681	16828	12176	20259	8967	11894	5761	8158	10988	8071	8371	11908	5059	6409	39170	6645	32352	27290	33295	6436	8885	13911	8236	9424	8539	26547	15890	6786	7968	8593	9686	12181	14282	21601	4706	10423	8240	8578	19694	18207	4195	7589	8952	8752	5910	Lipid	0.0	1.6666666	0.0
24	C12 H20	165.16377	165.16396	-0.009360133	165.16377	13786	14139	10066	15974	8755	9838	229231	7314	3705	5832	21013	9265	3698	137173	8309	8066	11056	4050	6671	7331	6342	6557	5209	5239	7593	25065	189349	35655	6427	8193	4405	6396	3975	5288	4805	8886	2938	10101	17423	4909	16164	13173	18735	8877	12284	8110	22908	8116	5071	7682	13859	12473	8954	11894	2682	13707	14543	7706	5817	24089	14102	8633	29724	3368	87830	11749	28618	13092	17591	7912	18424	6612	8105	9159	8071	7892	15438	5352	7449	44802	5784	27416	42166	58600	4973	8046	8702	7911	7909	13963	25880	18216	5285	8439	7388	9423	16352	12689	16476	2045	4218	8123	6982	18351	21880	5266	6467	9646	8166	8077	Lipid	0.0	1.6666666	0.0
20	C12 H20	165.16377	165.16397	-0.003860051	165.16377	7399	7535	5699	6631	0	5083	139993	0	0	0	2456	1057	0	172118	0	0	3133	0	1816	0	2355	1552	1454	0	0	24242	149826	3825	0	1435	0	0	2526	0	0	1988	0	986	2874	0	3612	5261	17457	3607	3711	2009	5003	3732	1480	1538	4856	6324	0	3528	0	11294	8111	0	1529	6235	5950	2529	12241	0	92107	1755	23536	4018	4431	6218	3690	1886	1431	2053	2335	2824	3935	0	0	8056	1192	4354	52532	215430	0	1136	0	2611	4017	4108	2402	0	1966	0	0	4148	6411	5937	10120	0	0	1713	1107	5721	2229	0	0	3497	1361	2152	Lipid	0.0	1.6666666	0.0
12	C8 H7 O3 N1	166.04987	166.0501	0.018333025	166.04987	116193	150159	129007	126203	236185	262769	213114	179511	153425	32757	30833	68691	219096	348430	202211	177296	37566	186817	193254	91480	36444	141655	177786	217191	270656	14797	272127	34937	249550	139093	204470	213123	267750	248752	81213	202719	227629	157277	45550	43599	10432	194183	48710	38869	39289	95742	13656	44868	214036	125705	146122	127931	225364	34767	136342	136445	145943	233595	53915	14066	206989	29152	207553	102304	124313	255561	239031	40713	0	37602	16398	162830	190678	144171	58619	173411	26429	140011	160093	35221	163445	66238	88945	50965	109439	210187	203556	225704	215993	106008	115111	91768	292886	35686	49408	41807	160686	153921	273273	108410	106524	228344	110904	59066	25459	216400	205611	37646	196803	184057	Phytochemical	0.375	0.875	0.125
8	C8 H7 O3 N1	166.04987	166.0501	-0.010602659	166.04987	97258	138587	96249	124847	175853	206434	80542	136436	64463	26954	30789	88025	137989	184858	64185	154812	155621	128631	140960	51326	33736	122979	92565	149426	84096	14403	118081	30439	150421	109536	137642	186570	193663	234366	66367	141557	180276	54847	201575	33321	35948	154324	27273	37551	50811	74382	36374	43847	181081	95792	112909	113842	154358	41282	55885	54059	72690	223067	23472	37129	107042	14095	131226	71314	65249	169447	179394	194453	22795	28910	20165	134590	169464	85620	104282	167086	34958	73188	92311	28729	79056	41731	36871	28583	61592	60244	110566	194841	235590	290779	92816	46674	171020	24649	41988	42665	104780	112643	84489	88865	83624	192080	86618	56959	18409	162847	61869	38468	87988	135270	Phytochemical	0.375	0.875	0.125
2	C5 H11 O3 N1 S1	166.05324	166.05342	-0.060031973	166.05324	0	1007	0	1023	0	0	0	0	2573	0	0	0	0	0	0	0	0	786	0	0	0	0	0	0	0	0	0	8003	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22965	0	0	0	0	1256	250	0	0	0	0	8235	2579	0	1034	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5512	Peptide	0.6	2.2	0.2
0	C6 H7 O1 N5	166.07234	166.07262	-0.09085514	166.07233	3762	4517	3605	3008	6508	10960	1934	8754	4892	0	0	2080	3150	14585	2181	4180	7895	12881	6613	0	0	4707	4923	4640	9203	0	0	0	13569	4459	15643	4704	24108	9265	0	4912	8210	4251	10768	0	0	4063	0	0	0	1314	0	0	7298	3695	2439	2542	7603	0	2432	1466	2466	15227	0	0	3767	0	5711	0	5253	6473	14928	13634	0	1846	0	10889	15171	4572	2068	5151	0	1970	4940	0	6152	0	0	0	1556	4476	6131	7084	8415	9046	0	0	5554	0	0	0	3752	3858	5086	1131	959	6385	4322	0	0	21405	2325	0	5119	10755	Unclassified	0.16666667	1.1666666	0.8333333
2	C6 H7 O1 N5	166.07234	166.07259	0.12538001	166.07236	3160	1977	1699	2272	1673	0	2926	23117	579	0	0	909	2057	1168	1368	2013	4572	1136	2440	0	0	3036	2082	20862	8594	0	2257	0	2264	3676	13449	1199	1960	2434	0	1382	877	3108	5048	0	0	0	0	0	0	3866	0	0	2102	12041	1997	1493	1205	0	0	0	922	9714	0	0	5596	0	0	0	0	2403	0	8307	0	642	0	7518	3766	3777	909	2717	0	697	5299	0	7693	0	0	0	1002	1174	7276	657	1801	3594	0	0	9830	0	0	0	2171	1843	1897	1041	1124	1151	808	0	0	9784	757	0	17604	1278	Unclassified	0.16666667	1.1666666	0.8333333
4	C6 H7 O1 N5	166.07234	166.0726	-0.043680742	166.07233	2133	1453	1728	1422	734	687	459	1202	480	0	0	654	561	0	1008	3173	1349	2104	700	0	0	14048	1200	1313	1750	0	0	0	0	947	1186	0	709	0	0	0	507	487	680	0	0	1004	0	0	0	0	0	0	1391	751	2270	1611	876	0	636	249	480	4834	0	0	3549	0	683	200	0	1382	887	1066	0	0	0	799	627	531	0	0	0	803	1277	0	1383	0	0	0	889	1868	1948	460	1163	29496	0	770	27348	0	0	0	1036	1434	0	2438	1212	1117	680	0	0	7960	506	0	2098	1618	Unclassified	0.16666667	1.1666666	0.8333333
14	C9 H11 O2 N1	166.08626	166.08647	0.012357358	166.08626	22242	20393	22419	25617	23433	20741	24325	28568	16800	7025	12266	20025	14817	21075	21386	29592	42788	22140	19811	9687	6973	17331	17806	23565	25296	3018	25721	41446	27305	27416	27608	38708	33965	38436	8356	29197	38099	18730	34922	10976	7102	23700	11792	16396	13385	13369	6321	18014	34595	18904	24661	20501	21958	11340	16084	10551	20027	43210	12682	12801	29273	3983	11938	13660	16128	17668	18769	38491	0	4682	5273	30853	27605	20824	24087	33544	11559	19922	21675	50617	21611	10538	14409	9453	8652	11041	25328	29982	33100	42785	95805	30699	42620	9034	8912	17120	23946	17280	14171	10866	13968	28360	23562	20449	0	34741	10620	16184	25505	14259	Phytochemical	0.22222222	1.2222222	0.11111111
8	C9 H11 O2 N1	166.08626	166.08649	0.014190442	166.08626	92118	109306	79279	89980	80238	94749	96788	96856	53099	31871	30474	79919	72997	56278	70854	159415	197193	108995	107346	36569	31409	64611	70557	96060	69850	13009	109428	80733	121380	105449	108469	163863	167035	155772	45936	125768	186428	68498	225516	26918	27572	103269	45383	17640	19483	37310	30070	21501	164959	84785	84382	95980	80572	15889	62570	33116	56744	128321	27670	36347	118337	15519	58724	57330	49739	84241	84610	194970	12658	19992	16088	112039	143548	108526	124947	140766	14226	75334	72054	157577	61485	36222	42227	209722	48929	51385	96385	115095	121700	143564	259475	77564	106739	44085	25325	18899	87461	87781	55586	49469	50291	163763	82975	46335	13475	98365	54832	20070	81909	88675	Phytochemical	0.22222222	1.2222222	0.11111111
12	C9 H11 O2 N1	166.08626	166.08647	0.04721303	166.08626	89443	99844	92973	90586	37066	36016	69718	173251	30223	0	26625	35650	25477	29991	43971	244646	64217	44341	40883	107348	12496	39660	41966	298131	50416	7117	74762	57367	155228	322438	149657	194186	71588	144681	16732	230668	79183	39417	79415	176133	10772	44348	11767	17325	15728	582212	15421	19521	434940	147446	98429	109564	32626	13667	26907	14227	34810	264196	15423	15228	180155	5592	32066	21172	24258	32482	31701	72494	0	189966	9138	82150	90404	173425	94263	235937	10688	35689	38071	120043	40133	21094	20275	14754	17923	28783	48802	51264	48438	70766	386167	62667	58850	21949	407184	16377	97423	95965	30860	22558	17569	91494	45598	180820	0	54438	29311	17436	47175	37069	Phytochemical	0.22222222	1.2222222	0.11111111
6	C9 H11 O2 N1	166.08626	166.08649	-0.024275178	166.08626	119884	138654	104857	127989	99396	225009	159098	145192	89846	44290	53558	111041	88240	82270	104423	222865	245478	171945	156882	48390	47074	82625	83273	128722	94555	14227	145486	85017	165209	145316	153400	197505	258614	190759	68253	151826	273243	105752	316951	28381	34375	129225	18418	17806	15898	60538	43341	16323	200055	119084	139619	128289	119660	15887	86759	48890	72972	224024	36621	53373	185470	19402	79139	62728	56558	131377	126582	317456	18821	31378	26936	145735	160577	137974	183341	176896	12244	89173	92228	263727	78549	48002	56672	27444	63290	87177	132301	120608	148966	250639	229100	107955	186163	48696	39248	17304	130052	99604	64948	55789	64089	225695	117927	61778	20846	180754	67547	17927	110767	126031	Phytochemical	0.22222222	1.2222222	0.11111111
10	C9 H11 O2 N1	166.08626	166.08647	0.03832161	166.08626	57474	56268	44160	46071	45871	46457	63934	60996	35158	20003	33464	45280	31235	40287	52207	88751	101711	72396	61729	23281	24071	37923	45460	59579	53715	11176	98249	116772	69093	60544	59100	70584	91266	77110	26318	64333	98103	48579	122336	19361	18521	55059	17730	18645	15633	31944	19297	19758	71253	50848	57050	55377	49594	26923	41068	23591	35599	93667	18077	25675	87789	12895	32101	31969	33769	53600	43164	112472	12883	10309	12788	55463	54348	51666	88798	66090	14311	40859	51962	331353	51035	26278	28769	16582	31922	43041	75679	63653	58452	99637	395964	86907	90809	42444	23998	18667	64419	54895	33882	23892	26580	76024	54129	29422	0	71129	34516	17482	59750	49884	Phytochemical	0.22222222	1.2222222	0.11111111
2	C9 H11 O2 N1	166.08626	166.08652	-0.05769195	166.08624	223767	224320	147377	217024	375179	1243903	115315	207478	239171	63146	1236173	206748	399715	297895	307232	187934	374418	770331	416543	39920	102608	154610	75678	104135	87337	23746	83765	2709136	447542	113825	486994	223064	779669	469014	1465022	154934	161023	243969	592242	46130	172665	309478	76628	23667	22666	48110	152392	34576	176581	102234	196521	215900	353111	124689	229194	200593	212155	244673	27280	93635	148622	17904	1577905	312517	397856	403677	418164	569974	45035	79537	122720	153682	231031	126871	97449	242088	19092	218392	238294	3688503	283468	45380	42033	41086	196730	240713	216089	1092809	722018	378104	1486593	5706949	329698	1113502	51771	51012	234488	241407	4259487	171109	321918	205596	389733	76295	59507	251641	390935	27556	172344	301053	Phytochemical	0.22222222	1.2222222	0.11111111
2	C10 H15 O1 N1	166.12263	166.1229	-0.0508701	166.12263	16244	16106	14406	16012	15038	20413	8598	27573	4067	22279	9465	7404	8550	12121	6097	49192	19320	11221	13490	14467	12987	21595	4303	35819	21387	1673	19513	14146	23702	31206	16257	25827	20900	19274	18707	24328	23415	5815	22430	8864	5333	16824	2329	934	933	9599	6018	979	48834	18875	13315	14993	12018	885	4353	2061	4565	42791	1103	2344	39243	2135	8944	4318	4684	16459	20812	24852	1256	8167	7853	18224	26486	25047	47795	22806	701	8105	7035	20160	4198	3284	2147	6290	2762	5626	12234	10593	16231	41752	49207	16705	34538	8198	30088	1482	15117	13730	3853	2194	2638	34229	5487	14549	3281	30784	3775	665	10571	5319	Lipid	0.1	1.5	0.1
4	C10 H15 O1 N1	166.12263	166.12291	0.055075686	166.12265	18866	22418	19584	18006	4188	10390	11545	33124	2529	4751	3523	12507	2807	3754	11410	65434	36286	6974	8287	5236	5848	22561	12586	117253	19206	726	12494	3233	25206	16024	24046	28722	24401	28917	5983	22036	20663	11983	42594	3007	1686	46913	907	741	580	24488	3154	918	40781	27463	20560	18500	8675	732	1661	1104	3412	71855	668	1386	68205	1272	7954	1783	3714	6827	42812	48844	802	6455	3957	25974	21155	22161	21516	16399	666	13209	21974	0	26796	2078	1121	2688	1443	2444	20568	14294	13068	96889	5947	2381	142366	2256	4980	1313	19941	21665	2055	2063	1579	19873	11570	3091	0	61984	1768	793	30788	3108	Lipid	0.1	1.5	0.1
2	C11 H19 N1	166.15903	166.15929	-0.030583955	166.15903	11564	14161	14591	13622	2488	0	15854	33419	466	22027	5810	11147	939	3722	19333	98978	20414	2485	4161	15469	11928	10826	7003	54839	24377	549	17128	4424	21574	29413	29330	34804	50651	20293	16763	33114	50915	17885	25330	2597	1238	0	0	0	0	5577	1276	0	23672	31149	13439	12221	1817	0	898	216	1081	62441	0	0	89254	685	1239	977	0	1348	2022	24429	0	2303	1201	37254	32194	55157	38395	24398	0	14681	9015	2568	8840	0	490	1341	801	1381	7078	2744	6508	24479	10523	844	63709	2418	9057	0	13220	13747	0	424	600	45313	10903	8881	792	41753	0	0	15426	906	Lipid	0.0	1.7272727	0.09090909
4	C11 H19 N1	166.15903	166.15932	0.042454667	166.15903	3388	3243	4555	4114	612	927	1612	4179	0	25549	6498	1208	526	0	838	6651	2959	1430	2732	17132	20990	9585	2370	6660	1743	2161	1977	8928	2203	2385	1652	3479	3265	2270	33595	3032	3765	959	2331	2048	501	584	0	0	0	1935	2583	0	3613	3520	4745	3365	811	0	0	0	542	8136	0	0	5216	0	296	466	0	1258	1234	5155	809	1823	2229	1845	1867	3991	3064	2936	0	1591	7342	0	6915	0	0	2636	0	303	2767	2562	1832	10974	18355	785	42272	4002	9013	0	3440	3886	0	0	295	2287	1534	1697	0	14114	0	0	6060	597	Lipid	0.0	1.7272727	0.09090909
12	C8 H6 O4	167.03389	167.0341	0.04044539	167.03389	38693	52837	40763	46990	66094	74492	40045	48460	78129	28781	91011	24056	79107	65927	61711	40552	23100	74926	78322	16936	13687	35139	72085	51938	50924	8112	37747	348987	54092	40034	48685	44854	55165	53742	32721	38558	38698	65114	29153	15008	11910	55586	16550	22028	27872	24126	11366	29868	42989	32333	45908	47801	64064	26022	74343	47409	55545	54877	19391	12404	47180	15662	98326	61765	46347	85286	54371	24302	0	13630	14208	42802	42968	37689	27810	47708	20281	39988	53524	192552	58002	25129	18373	10468	51122	50661	61779	42986	71204	28759	108490	95426	52182	44539	31637	29085	47803	52987	57506	53099	48828	53585	39750	17985	0	49475	50531	25999	37028	91016	Phytochemical	0.5	0.75	0.0
2	C5 H10 O4 S1	167.03726	167.0375	-0.07923702	167.03725	3543	3920	3808	3729	476	0	10233	38535	0	489	1225	5233	0	0	1818	7809	0	0	20036	0	0	1033	481	3176	751	0	4968	9970	5373	16722	29261	989	8307	0	0	5325	0	560	0	0	0	0	0	0	0	4052	0	0	1745	13586	3624	3095	0	0	0	0	3131	18412	0	0	1651	0	0	308	0	521	5526	706	0	1104	585	1757	1426	34374	5296	21430	0	2888	535	2869	2151	0	0	0	0	392	390	3485	1414	1282	3464	2004	4014	311	405	0	3773	4527	0	0	0	5762	2030	0	0	1123	0	0	1769	0	Organosulfur	0.8	2.0	0.0
2	C7 H6 O3 N2	167.04512	167.04538	-0.004999423	167.04512	6213	7098	6052	6760	8249	0	3223	9908	6491	996	0	4342	7330	11100	5561	1428	6450	8534	8323	1142	2124	12353	8465	16227	2721	504	0	0	8998	5740	11340	10239	9563	9397	2880	7782	7538	6591	8658	1757	503	7036	0	620	1143	3968	1132	1077	11509	5693	6963	7347	9479	1152	4263	3262	4175	18144	884	967	3431	565	11206	4625	5379	11082	7957	9675	0	1626	674	8471	8925	4639	469	8103	657	2920	7260	0	5127	1389	805	805	3773	3660	8524	8668	13094	16459	1957	1170	21482	803	717	1653	7054	5284	5437	3638	3050	7570	5298	1459	693	14008	2915	777	4574	11900	Unclassified	0.42857143	0.85714287	0.2857143
10	C7 H11 O3 Na1	167.06787	167.06807	0.44528773	167.06793	1322	0	1120	0	0	0	0	0	0	0	0	0	0	28407	0	0	0	0	0	0	0	0	0	0	0	0	0	8539	0	0	0	0	0	0	0	0	0	0	0	0	1360	0	2960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4291	0	0	38107	0	2642	0	0	0	0	0	0	0	1562	0	0	0	0	0	0	4042	1681	13003	0	0	0	0	0	0	26381	4057	0	4493	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.42857143	1.5714285	0.0
6	C7 H11 O3 Na1	167.06787	167.06808	0.5699171	167.06796	0	0	993	879	0	0	1609	0	0	0	0	0	0	96142	0	0	0	0	0	0	0	0	0	0	0	992	4854	0	0	0	0	0	0	0	0	0	0	0	0	0	675	0	971	0	0	0	0	0	0	0	1535	1559	0	0	0	0	417	0	0	0	932	0	3957	0	68760	0	35703	0	0	1779	0	0	0	0	12757	0	0	0	0	0	0	782	1279	31733	0	0	0	0	749	0	0	0	0	0	0	0	0	0	3854	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.42857143	1.5714285	0.0
12	C9 H10 O3	167.07027	167.07048	-0.03927831	167.07027	613581	816059	698899	733687	697518	701200	807080	758059	705455	267591	322680	364296	718113	1079090	615136	869453	602329	900513	914447	350280	315690	422451	584093	495626	549985	218577	939598	600111	924920	815449	850686	901386	930058	769756	390541	773193	767250	609263	680720	259304	316550	698299	202750	151100	150378	343326	476682	178213	1029051	695963	733791	765971	735027	226049	821419	475201	535731	835146	281356	285166	777694	162515	935966	610173	662477	1008459	780243	675888	184223	274139	265881	662120	777918	890087	663737	949434	104565	523723	484323	797023	495187	360272	606662	587909	523159	552037	704202	532413	740921	627316	1398694	800624	633758	249563	334366	242526	740519	711597	582918	570644	595345	803614	555128	360050	196478	829200	557112	152502	462562	952154	Phytochemical	0.33333334	1.1111112	0.0
8	C8 H10 O2 N2	167.0815	167.08173	-0.053332504	167.0815	46007	51962	42718	43357	44868	36859	72612	52272	28226	10398	17599	44354	28054	37952	40222	82451	118621	34878	51817	10782	9974	30270	30541	60255	44119	5282	75300	33788	55776	49885	56494	78940	80745	67110	13901	59658	81030	38549	162000	9808	8609	48913	5617	7517	7694	18550	10531	7949	94823	44599	42696	47398	45231	7043	30120	15496	42843	84879	8742	9144	63008	5630	26912	31112	30490	43447	58168	150842	6651	10017	7413	44766	62973	40760	96351	73839	5398	37629	47486	54462	36645	16316	12332	5988	23535	28464	53409	51823	57094	103614	74765	53933	82433	14010	8666	8929	45375	42071	26658	20490	19003	72037	45907	10717	6622	58566	37499	6839	55267	36333	Peptide	0.25	1.25	0.25
10	C8 H10 O2 N2	167.0815	167.08173	0.016079832	167.08151	22272	22264	18869	15919	30396	23284	20105	26757	15537	8830	12522	16605	11805	23953	17118	37136	30274	29737	17875	5712	4871	19902	15957	31753	17545	2334	28883	23055	26712	26853	24606	35088	38155	35873	8511	29164	39621	17229	46371	5031	4968	26217	6757	8179	7527	9947	4682	8350	31059	20090	19492	21060	24103	7109	10723	9095	15692	43246	5939	6175	32327	4294	10464	11162	13065	20136	27738	41083	0	4189	4974	27197	28059	16166	32402	29771	5775	14824	18138	43970	16768	10186	8424	4711	12296	12255	21883	21926	23670	45124	79773	43117	38153	8737	6974	9173	21858	19321	11101	10136	10274	31750	20154	6988	0	35220	14517	7828	24329	22369	Peptide	0.25	1.25	0.25
6	C8 H10 O2 N2	167.0815	167.08173	-0.07536402	167.0815	40313	49001	40212	43722	32516	28658	54851	64743	29529	13403	22434	37557	24145	23161	44285	88389	81878	56976	45497	10627	12676	39744	37243	63661	36955	6180	52034	18777	62333	53410	62991	74911	86150	73667	14939	59696	85825	48054	122875	7010	10376	47104	6341	7251	7050	20940	11578	7329	72832	51713	48666	49167	39208	6613	28347	15013	30469	96919	14053	15932	70063	5297	21393	20535	21395	29520	37561	118798	7120	9478	8304	61925	65715	49733	57205	66104	4903	35080	37424	56552	38388	18536	17518	7462	21987	29556	53408	48801	51968	120226	24160	21651	95602	19498	9409	8445	42213	35706	20368	16768	23336	65137	50561	19797	0	74406	27559	6715	54897	40740	Peptide	0.25	1.25	0.25
20	C13 H10	167.08553	167.08572	-0.02882732	167.08553	6595	4222	4300	6556	0	3293	0	8964	0	2535	2467	1112	0	23501	1521	55654	11663	0	4537	0	0	0	0	18058	0	0	1273	6314	0	18027	8942	8367	1738	8405	1971	10828	0	0	10903	10221	7855	4632	915	0	301	24237	11490	0	8350	18530	3580	4012	1870	732	0	0	3674	37380	0	10497	19253	0	0	0	2896	0	2493	11044	0	35654	6731	4633	2663	3747	9120	34879	348	0	1551	4064	0	0	0	0	0	2613	0	5287	9864	4712	44427	7660	3395	0	47765	651	6229	4497	0	2076	1420	3161	1866	16913	1497	2709	2869	0	1197	0	Phytochemical	0.0	0.7692308	0.0
18	C13 H10	167.08553	167.08566	-0.024524445	167.08553	2181	3663	2967	5987	0	0	13426	3208	0	0	0	1919	0	0	0	6844	26880	0	0	0	2055	3525	0	3213	0	0	12324	0	6151	4346	4717	8445	5306	18209	0	6834	4360	0	23665	1458	0	0	0	0	0	0	1632	0	19590	2976	4055	3786	2069	0	0	0	0	8943	5257	13096	5809	0	0	0	1079	1716	2251	53677	0	0	0	2768	3920	1483	15588	6805	0	2251	1479	0	0	1674	13612	0	0	2179	2294	3724	2066	17466	0	3917	10562	0	0	0	2832	3821	0	0	0	4823	1328	15151	0	19882	0	0	4244	0	Phytochemical	0.0	0.7692308	0.0
14	C9 H14 O1 N2	167.11789	167.11806	0.012753456	167.11789	1959	2410	2034	2705	4610	0	0	0	0	0	1445	0	0	4341	0	0	0	1855	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3957	1235	0	0	0	0	0	0	0	995	0	0	0	0	0	0	0	0	2908	2969	1765	0	0	947	0	1510	0	0	0	0	0	0	0	2486	1338	0	0	0	0	1225	0	0	0	0	269	0	2168	0	0	0	0	0	0	0	1654	0	0	4277	133175	83665	0	0	0	0	2211	2103	0	0	0	0	0	0	0	2241	0	0	1844	0	Unclassified	0.11111111	1.5555556	0.22222222
2	C9 H14 O1 N2	167.11789	167.11815	-0.08760077	167.11787	11114	13586	9414	13704	5889	0	7931	15569	3311	12802	4987	6112	4377	3639	8170	76321	11306	7911	9430	9499	5663	22916	7723	40587	23416	826	16800	6221	14557	26713	11969	0	14259	10810	9190	16059	16382	6931	13718	4282	3153	6699	349	0	0	7141	2779	472	39092	16280	11242	11457	6433	0	4765	1624	3811	36410	1224	2955	63543	1647	3977	3043	3179	7785	7275	16866	1068	2743	1540	11612	13595	16948	79530	12956	1149	6476	10702	4250	8689	2643	2630	2920	3145	3852	12435	7871	12112	40426	11344	6140	40583	3084	11055	404	12313	11360	2719	2160	1924	31679	5213	13338	1363	20566	4022	366	13040	7108	Unclassified	0.11111111	1.5555556	0.22222222
6	C9 H14 O1 N2	167.11789	167.11812	0.001229335	167.11789	7970	8869	7048	9536	2836	1131	28758	12349	8472	1697	4123	10012	1257	1854	9598	20178	25342	1311	3357	1675	2327	5050	4443	10120	8770	620	25602	4379	11083	14225	12801	16916	15729	3800	4358	18208	10705	11595	45699	0	1806	4066	0	263	0	2555	2419	355	14142	9952	9957	8753	5385	0	4934	1773	3663	24284	1274	2385	12190	0	1596	2265	2645	2189	3087	42761	0	1923	0	2278	2489	18203	34139	16624	313	8962	7000	0	3948	2365	3148	901	2638	5635	11078	3565	5285	32932	5468	5629	21046	2107	2417	0	8304	8105	4785	2334	2578	22311	12477	2854	0	12546	10652	0	11505	1021	Unclassified	0.11111111	1.5555556	0.22222222
10	C9 H14 O1 N2	167.11789	167.11807	0.040068418	167.11789	2098	1442	1419	2221	945	4866	1745	2605	0	0	0	1363	0	2096	0	2777	3778	0	0	0	0	3229	1196	2054	1978	0	1836	0	1680	2136	2024	4103	3849	2548	0	2896	2951	1273	4453	0	1308	17526	0	0	0	0	0	0	3076	1278	1843	2221	3829	0	2349	669	18585	3251	0	0	0	0	0	871	1359	5573	21610	3403	0	0	0	1822	2879	2406	2364	2894	0	2195	0	0	900	938	1037	0	0	1391	1969	2276	2241	4828	2885	3006	2744	1073	0	0	1578	3004	0	0	0	2380	1521	0	0	2730	995	0	1557	0	Unclassified	0.11111111	1.5555556	0.22222222
0	C8 H14 N4	167.12912	167.12936	-0.34836406	167.12906	4494	5579	6001	6467	0	0	10298	64191	0	0	2253	19985	0	0	25008	0	5612	0	0	0	0	0	8774	8010	4272	0	10324	0	3163	18944	11501	4685	0	2457	0	5115	0	37421	5281	0	0	0	0	0	0	0	0	0	25086	90271	5988	5266	0	0	0	0	0	8465	0	0	9226	0	0	0	0	0	0	8274	929	0	0	64271	7788	14350	0	7836	0	15967	3401	0	11311	0	0	0	0	0	1011	0	0	0	0	0	0	0	0	0	4025	5397	0	0	0	0	13544	0	0	13909	0	0	10591	0	Unclassified	0.0	1.75	0.5
2	C8 H14 N4	167.12912	167.12952	-0.15584661	167.12909	0	0	0	0	0	0	0	0	0	0	0	0	0	0	361	21303	0	0	0	0	0	0	0	0	395	0	0	0	468	643	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	630	0	0	13030	0	0	0	0	0	0	0	0	0	0	0	0	0	6938	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1177	0	0	0	0	0	0	0	0	0	0	320	0	0	0	0	0	0	Unclassified	0.0	1.75	0.5
20	C11 H18 O1	167.14304	167.14323	-0.0197974	167.14304	34812	37699	34574	35239	19795	22236	189863	19298	10732	17931	33689	23138	11037	554624	25418	22760	44756	13626	14529	16969	14024	14942	15703	13282	16996	39902	220329	40200	21075	24267	14106	23978	21648	18334	17699	22734	16813	22426	48440	10377	24120	32107	71006	23876	22226	15855	30358	30154	26186	16707	38624	36077	21246	25967	6005	39317	37558	28850	17327	44913	32294	16824	231552	12916	257674	25141	71676	53251	24166	12989	24403	10709	16450	29390	39015	24000	36375	12100	15928	88069	13467	29211	114781	176293	15348	23100	27733	21148	26640	48502	58839	35673	25439	15933	16908	32174	42421	29109	41075	18029	21379	25281	15335	28131	23744	18592	23134	29114	23964	38202	Lipid	0.09090909	1.6363636	0.0
18	C11 H18 O1	167.14304	167.14323	-0.06794631	167.14304	26357	25597	32230	30951	7611	22197	593090	16413	4027	7187	37441	15545	10083	220772	14122	12054	32918	5854	12322	7527	5916	9438	8528	8590	14730	229809	674280	94233	14385	16908	13340	18282	12748	8149	9475	12781	10913	15041	33230	4936	21009	22500	49889	11679	8531	11940	18058	10667	18847	10149	34226	30557	8840	10537	5786	87156	96358	17313	13617	35439	15042	19535	41969	5491	389468	15678	73531	44946	38880	16261	32808	9000	11168	21316	21256	14731	15856	6988	9491	88328	8914	27703	145134	901538	8508	13607	23419	13776	22068	40920	32364	23873	15478	14406	11827	13503	30669	36270	147503	8429	15959	13707	7923	12470	17076	9203	10319	10303	13305	3317	Lipid	0.09090909	1.6363636	0.0
16	C11 H18 O1	167.14304	167.14323	-0.078967705	167.14304	29036	24919	28048	26293	8776	42782	239185	8151	3864	8085	13274	7676	5202	539247	7438	12002	19357	2917	52776	12659	6279	5291	4844	5672	6418	93130	291820	45620	8213	7669	5351	10551	7630	5108	3308	11538	4864	6968	19906	5452	12820	45445	21580	5235	5357	10642	9656	5704	9760	8379	24801	26560	5327	5428	1886	156519	177463	14067	5083	18012	19606	13904	37526	2989	533835	5959	165202	17606	27283	27091	11971	4452	6084	12939	13469	13948	10578	5112	6092	41302	2824	14437	109052	573525	4018	7545	10927	6742	37855	0	16706	9313	0	7013	9689	6687	22936	34605	332894	4905	6573	6318	4188	10938	0	0	6734	6059	7845	7271	Lipid	0.09090909	1.6363636	0.0
14	C11 H18 O1	167.14304	167.14323	0.0366317	167.14305	2077	4709	4036	2794	0	0	11518	2055	1272	0	2509	1687	1592	18371	1481	3439	4779	1436	0	0	1902	4115	3279	0	3792	4483	11714	0	1492	3395	2179	0	1891	1617	0	3461	0	1981	3172	0	0	2211	2760	2354	2490	0	0	3043	3037	1939	3606	3901	1483	2996	0	1858	2636	5783	0	0	0	0	1922	0	11115	2449	8367	4325	0	0	1263	2144	3374	3712	3041	2628	2662	2100	3580	0	2289	2060	15025	33229	3407	2444	6064	1883	1295	25559	5523	2097	11506	0	0	2562	2477	3050	0	1744	3916	2582	1814	0	0	2603	1867	2848	5635	1767	Lipid	0.09090909	1.6363636	0.0
26	C11 H18 O1	167.14304	167.14323	-0.047732297	167.14304	30901	26107	27451	23392	21946	19184	194429	21177	16513	12821	32662	23074	13968	83133	22427	27758	31940	11069	17866	20429	19014	16093	19670	18186	17965	42677	203851	62385	22082	24184	20433	22993	26395	22349	18576	25955	26151	26154	44971	20011	20293	20721	23708	22468	23935	15490	16263	19418	25458	21428	30795	26234	20059	19216	17007	23056	30336	26159	17614	30333	31903	18729	29743	16394	95726	20910	28038	34904	29666	19744	22211	14955	21034	22392	25497	23289	23907	19401	20897	61872	19530	24856	48730	54877	22821	24347	38707	19180	25044	30839	51621	32668	25133	14833	17177	21564	28865	30947	32315	22193	36550	26436	20172	25410	24710	18830	23082	23972	26601	14612	Lipid	0.09090909	1.6363636	0.0
4	C10 H18 N2	167.15428	167.15454	0.08463565	167.15428	7443	10177	8289	9155	221233	85952	4345	4733	562	4045	2032	3540	1630	14648	2667	5525	7707	5126	18579	7312	7097	3754	3022	5685	2400	825	5169	0	6826	6422	4464	6224	5094	5527	5953	5323	4532	3040	7628	2564	2040	12936	722	0	0	1923	1682	0	7796	4775	8957	7846	135490	0	251	791	6347	4273	0	0	5843	1498	0	0	1818	7145	14840	8546	0	0	0	4246	4622	4620	7745	0	0	3331	3907	0	3354	0	431	2498	0	1383	3513	4632	4687	5845	5410	638	6951	4341	6334	0	7098	9394	38364	0	0	5056	3662	5569	0	4458	125629	0	2241	1075	Unclassified	0.0	1.8	0.2
2	C10 H18 N2	167.15428	167.15453	-0.01763666	167.15427	2195	1053	886	1408	632	0	816	0	0	2766	0	353	0	711	470	1217	1184	650	495	2673	3043	1448	1494	1046	3424	0	0	1617	0	0	0	0	1111	540	3081	0	1364	951	1452	355	441	0	0	0	0	334	308	0	0	0	1204	1261	595	0	0	0	0	1349	0	0	1257	0	0	0	0	0	585	1934	0	0	0	0	0	0	910	0	0	0	3238	2336	0	0	0	524	0	577	35211	940	386	33226	44208	3284	4671	971	2362	0	807	1472	0	0	0	2218	0	865	0	1658	452	0	4050	0	Unclassified	0.0	1.8	0.2
6	C6 H5 O1 N3 S1	168.02261	168.02284	0.116409205	168.02263	2086	2363	2194	1719	2452	3025	795	1108	1741	0	0	1366	1075	2503	1390	6231	3309	4566	5831	0	0	6066	2700	6612	2269	0	1462	0	0	0	1205	1143	3981	2863	0	1115	3775	1942	5250	0	0	804	0	0	0	0	0	0	1668	1708	3165	2291	3646	0	970	0	717	5339	0	0	7428	0	1179	0	1311	2296	2403	6251	0	0	0	1006	0	0	1842	0	0	836	6009	0	2286	0	0	0	780	1348	4165	4261	4157	23574	0	0	23126	0	0	0	2553	2172	942	0	0	2985	1102	0	0	7476	1472	0	3691	2889	Organosulfur	0.16666667	0.8333333	0.5
14	C8 H9 O1 N1 S1	168.04776	168.04796	0.03062563	168.04776	17387	10901	10362	9569	11956	8976	2178	6770	0	0	1557	8827	2186	1862	1584	39466	3874	15611	8257	0	0	9826	1647	21931	1961	0	1947	0	5348	5352	27566	26971	18363	82601	0	7574	67417	0	2376	1170	0	6752	0	0	0	2271	0	0	40992	8559	9868	8998	12795	0	0	0	925	56995	0	0	24487	0	0	2226	0	10464	6157	3887	0	0	0	52249	15160	3631	4149	12376	0	7780	2404	0	1934	0	0	0	0	0	2387	51831	19734	0	10312	7435	15163	0	0	0	12966	4963	1153	0	0	22528	4822	0	0	116049	0	0	2482	4724	Organosulfur	0.125	1.125	0.125
6	C8 H9 O3 N1	168.06552	168.06577	-0.008898909	168.06552	232433	263128	212680	247299	269901	270030	205982	333305	219672	67466	98832	219753	258175	257165	237391	353276	362943	429750	363271	71272	75955	183671	227619	307075	163875	28680	206963	89486	335653	292852	309962	382644	418975	408085	105555	304430	382723	208697	418069	45062	42019	251238	55660	60750	64787	123080	56518	57949	345239	264201	263161	263890	250325	60347	184116	139295	170979	411548	51785	64389	373694	34473	291492	128335	137190	319368	283867	442251	45865	53920	50893	316085	332703	319137	220472	334308	46198	192958	168161	63499	169448	92375	76296	39143	174034	180221	231314	339126	389302	455923	138138	92326	338949	48134	53134	65986	240390	226479	134952	133969	185438	371709	252290	95352	47558	303947	153853	60780	180187	369905	Phytochemical	0.375	1.125	0.125
0	C5 H13 O5 N1	168.08665	168.08691	0.029288486	168.08665	0	0	0	0	1553	0	0	11500	0	0	0	0	0	4511	0	0	0	4530	1602	0	2546	0	3271	0	0	0	0	0	23999	0	7441	1436	7455	5620	0	4996	1624	0	0	0	0	0	0	0	0	0	0	0	2102	0	0	0	1801	0	846	0	0	2442	0	0	0	0	0	0	0	0	5013	0	0	0	0	5031	7716	7245	0	3196	0	3657	0	0	0	0	0	0	0	0	0	0	3201	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2870	0	0	0	3046	A-Sugar	1.0	2.6	0.2
0	C7 H14 O2 N1 Na1	168.0995	168.09982	0.010878279	168.0995	25628	21711	23725	21050	59638	0	0	6856	0	37506	0	0	6262	0	0	76421	9581	70096	7382	2823	3778	15388	0	8524	0	0	0	0	8442	4678	2467	341271	0	11097	1356	12518	3697	0	0	137685	12255	2919	11943	0	0	6753	5996	0	74215	3256	21873	19618	2068	984	0	0	0	0	0	9729	0	0	0	0	0	2861	0	33001	0	0	19758	16641	17132	7165	0	9249	0	0	0	0	0	0	0	0	0	0	0	11962	0	51480	27060	5081	14599	0	2839	1496	22763	19091	0	0	0	9194	0	0	0	11973	0	0	0	1075	Peptide	0.2857143	2.0	0.14285715
10	C9 H13 O2 N1	168.1019	168.10213	0.0259911	168.10191	50396	40369	42540	40465	36594	36915	64275	54060	25266	18576	15115	48871	28711	28534	41623	96241	146439	47229	45652	21769	17595	33092	39061	43455	53686	4406	105735	16412	62699	57742	48601	62368	90723	63329	23084	60991	79410	46690	164573	18141	17915	47730	9265	7034	6396	43008	15709	7281	70496	46543	46378	45519	39441	11667	27076	12510	22458	96966	18341	31338	78261	7890	21105	21801	30069	41929	45112	156698	0	25754	8015	46459	51168	50322	123995	65991	5160	37079	38728	22268	32717	22002	22652	9136	19463	30503	65771	57666	42810	97209	31234	21400	80130	11825	31356	7118	42725	41537	22215	17850	19786	81836	45564	32186	14021	65717	32642	8116	61015	36800	Lipid	0.22222222	1.4444444	0.11111111
2	C9 H13 O2 N1	168.1019	168.10217	-0.048444424	168.1019	36639	43224	32906	40306	29787	28098	37017	48053	24389	22824	19808	30114	33961	30359	25533	57261	69931	51291	51803	22098	24198	35126	25795	50732	27227	4696	44386	11495	62130	54335	58670	70254	76085	56933	32555	66608	69607	25799	71574	16959	9681	45688	10821	6224	6279	20668	15724	6887	64843	31806	39333	43564	43441	5460	25695	16950	22821	73174	10507	15758	61350	6799	28138	24471	18539	40058	46461	67065	6502	10941	8619	45255	68618	63664	55345	63288	5188	30248	31841	9680	23500	13504	14743	14085	20699	22193	36388	47035	59412	64605	30036	24375	57564	8961	17207	8874	34059	36321	21920	29007	27068	65511	35461	29736	12048	53099	23382	6528	26411	42361	Lipid	0.22222222	1.4444444	0.11111111
8	C9 H13 O2 N1	168.1019	168.10214	0.004208482	168.1019	66263	68824	50631	57950	54626	106678	87123	67274	40566	30370	27273	52678	41237	36375	49918	99091	146224	72107	69729	49462	43331	53074	40326	66587	50954	11700	89014	30264	81396	79260	65065	94616	97075	87760	47684	89280	114058	49938	173421	25715	32960	76689	9046	6404	6187	39245	41937	6289	98139	69236	53922	64916	61160	10697	42732	22427	39832	88421	39026	49599	91239	15217	36937	34282	36304	57407	56935	142329	10909	15314	12683	64539	82155	82376	103614	99439	4665	51752	47200	43323	40119	40889	57902	37200	31741	40588	86175	65302	60006	138157	44603	53714	88289	25963	30830	7134	65584	59571	34751	34728	32731	105681	54590	60113	16022	71874	50901	5969	61482	48858	Lipid	0.22222222	1.4444444	0.11111111
14	C9 H13 O2 N1	168.1019	168.10211	0.024136381	168.10191	10258	13875	8861	10665	11902	10380	21093	10395	7553	2451	3878	7622	6281	11157	12292	12296	52976	13724	7900	4180	3909	6200	7833	9691	16131	2231	16212	0	13898	13817	10069	15688	16679	13881	6407	12935	17799	14815	51541	5877	0	10558	4656	6612	4668	6244	4586	7021	14225	9910	12596	13627	7834	6224	6183	3988	12592	19503	0	6614	0	2934	4364	4714	8393	9120	11151	61100	0	1767	2391	9997	12742	11048	14118	13674	6562	7561	12637	0	10266	5198	11121	15051	4136	5726	17629	15535	13708	23725	12521	9153	21350	4676	5088	6353	13849	11939	5185	6650	4452	9817	11350	6860	0	13680	6006	6047	15661	7669	Lipid	0.22222222	1.4444444	0.11111111
6	C9 H13 O2 N1	168.1019	168.10214	-0.044293042	168.1019	79307	92605	80270	87074	97590	67091	97539	80906	69832	85700	47417	53965	59566	48036	66739	121735	151865	118051	92647	81760	88015	78113	41636	72484	55530	16990	98246	44704	96817	101294	86171	118520	138381	107587	102691	104823	152740	69644	201367	38123	61061	96501	14805	7093	6040	85610	98661	5838	131202	94553	89162	87018	92834	13622	71175	36137	59762	120190	64389	123770	105182	34981	65192	40540	64195	101252	93468	196065	17081	30757	35087	89518	95696	111156	110366	100354	4928	50590	49149	49342	45639	63955	95884	53660	51940	77455	79950	84622	82790	135955	75234	85393	89604	44870	92508	7705	84343	83913	50353	36717	53985	132307	61714	95220	40844	77440	102874	5887	63948	105390	Lipid	0.22222222	1.4444444	0.11111111
12	C9 H13 O2 N1	168.1019	168.10213	0.043951705	168.10191	20456	28175	18835	23828	14187	11698	37835	19644	14798	8087	10070	14054	8258	16262	19128	48462	39000	16550	14531	9823	7586	17613	14878	27138	22738	2745	52756	12814	23955	29932	21684	30597	28342	27787	11945	23320	39275	19398	47384	9486	6911	19337	6253	6877	5577	8761	8950	6945	35491	22455	25597	27463	15803	6860	12434	6442	17893	38044	7848	14398	33329	4774	11116	8726	16136	19380	15218	47453	0	3957	4544	26402	23043	27686	62770	33492	4076	15723	17804	16607	17271	11325	11880	16778	8703	13224	33024	21904	15889	47501	30217	23808	28343	4662	13330	5862	29031	22443	11734	8816	11521	47547	16331	14936	0	21664	14935	6436	22738	11527	Lipid	0.22222222	1.4444444	0.11111111
2	C8 H13 O1 N3	168.11314	168.1134	-0.042279083	168.11313	5987	6503	5556	4434	1658	0	12353	9501	1307	2584	3506	18479	830	2547	6412	8416	9356	2346	2664	3795	3660	12263	6975	14494	6448	0	1808	3522	12441	12189	11761	20209	16913	16791	2646	15965	14339	7359	12075	970	857	6185	0	0	0	3130	787	0	10343	5717	4883	4207	2475	0	1469	408	3331	18084	240	501	8981	318	1389	912	4702	2235	4544	15924	0	1559	678	8905	17251	9368	4891	12948	0	12876	12147	3359	6173	888	360	935	1157	2533	15550	2960	3817	139840	2198	1447	47847	572	1726	0	6042	6663	952	621	835	8357	14247	1861	600	18411	772	0	18568	1160	Peptide	0.125	1.625	0.375
8	C8 H13 O1 N3	168.11314	168.1132	0.15370323	168.11316	0	0	0	0	20750	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1301	0	0	0	0	0	1728	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1925	7623	0	0	0	0	0	0	0	0	0	0	0	0	871	1039	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2053	0	0	0	0	0	0	0	1466	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.125	1.625	0.375
2	C10 H17 O1 N1	168.13829	168.13855	-0.049281564	168.13828	19106	25918	20699	22792	17364	0	7901	14724	8759	49427	11707	9952	5746	9254	7998	40558	12492	22387	28428	33523	27266	30731	7412	19603	23758	6008	18479	13065	18033	31611	20437	27380	19507	16726	47542	23687	23272	9555	16554	26492	16578	11452	1543	313	0	15743	16251	472	37818	15195	21935	24020	13703	298	8700	2139	4905	37425	998	2382	36623	7749	31193	5783	6576	14085	11200	22397	5026	17756	18474	15714	26389	33075	47081	25074	373	8720	12272	11302	7433	5451	4288	23190	7292	4412	30317	8066	13517	49742	73789	37400	20264	15158	49658	429	19422	20738	5932	2992	2719	23299	8683	28727	6089	22136	7562	521	12151	13180	Lipid	0.1	1.7	0.1
4	C11 H21 N1	168.17468	168.17496	0.04713723	168.17468	4643	6210	4811	5095	2076	932	11409	2337	2291	23360	6129	3105	2849	2764	798	3290	3807	1959	4036	11325	12775	3140	818	1782	1128	805	18791	6401	1384	6566	3994	3764	85338	1972	30222	3080	74694	1007	4735	1378	0	481	0	0	0	0	991	0	3065	2593	6556	4563	1097	0	673	464	457	6712	0	0	2345	0	1213	1040	0	2999	1023	5529	0	0	0	3526	5790	9572	6534	8244	0	4035	3353	0	2081	0	0	1348	421	516	2014	1819	3896	9887	18933	0	13061	3575	5454	0	5075	4651	0	0	384	56234	2343	0	0	6380	695	0	2289	1392	Lipid	0.0	1.9090909	0.09090909
2	C11 H21 N1	168.17468	168.17496	0.008187142	168.17468	15575	15039	15094	12967	2120	0	17014	19884	0	19690	6783	4884	2477	2494	4821	44718	15686	2988	9714	13833	8520	1413	3162	22958	29682	0	28426	4672	58625	19176	16041	50055	17811	59044	15844	41683	26213	3650	14735	625	0	5406	0	0	0	3128	1509	0	75774	17947	11479	13719	1298	0	486	801	1031	41169	0	0	33248	285	1243	1304	0	2958	3805	19973	0	1111	751	22962	36652	27349	68205	39098	0	5716	6304	0	5376	0	0	650	2082	3331	3601	7566	57338	6179	21134	0	33429	629	2795	0	13570	15498	441	904	981	19293	4117	3206	479	49427	1173	0	13496	2364	Lipid	0.0	1.9090909	0.09090909
6	C11 H21 N1	168.17468	168.17493	0.030156486	168.17468	2495	2116	2046	2122	2724	637	806	2057	0	24298	8761	0	0	1344	1437	5693	1016	674	3226	12961	15899	2712	1784	4817	4792	1416	1100	5738	1756	794	633	1143	1499	2060	22027	1119	1139	1124	1416	0	0	673	0	0	0	1866	2201	0	0	906	2203	2703	1295	0	0	0	538	4177	0	0	5429	0	1744	983	0	699	0	3048	0	0	0	1136	803	973	1137	0	0	575	5061	0	2981	0	0	2261	0	0	2534	1820	3483	7371	14238	0	14755	2714	5165	0	1346	2183	658	0	0	1546	0	0	0	7451	859	0	2137	1332	Lipid	0.0	1.9090909	0.09090909
2	C5 H4 O3 N4	169.03561	169.03589	0.10012057	169.03563	2560	1901	1745	1553	6196	38848	0	0	2875	0	1025	0	7530	4946	0	0	0	7289	4548	0	618	941	418	0	0	0	0	0	0	0	0	562	3217	0	12269	0	1737	0	0	0	0	7031	601	0	0	0	430	0	0	0	1543	1713	29375	1106	0	890	918	0	0	0	0	0	2007	355	0	16636	2605	601	0	0	0	0	0	0	0	0	0	2231	0	0	1343	0	0	0	558	549	0	38900	10746	0	0	0	0	0	0	494	1511	1411	6154	593	51175	1133	3831	0	0	600	728	0	0	1283	Unclassified	0.6	0.8	0.8
8	C7 H8 O1 N2 S1	169.04301	169.04326	0.1712681	169.04305	14138	24869	22061	20779	5325	11159	29827	37851	2721	5375	2999	28692	2517	1171	10060	52597	49166	13564	12970	2248	1367	7805	11608	30477	10753	0	44530	4487	39581	52493	64000	77186	62552	64646	5580	50149	62651	17019	75507	0	0	13698	0	0	0	5003	0	0	93615	36764	24084	22489	13653	249	1902	0	5386	46942	912	1023	31156	0	2194	4003	0	9191	7307	66629	0	1657	0	60643	55481	32676	67755	61256	0	28435	12319	0	13808	779	1487	0	1253	4650	16520	30640	26289	32348	0	0	20682	0	0	0	21966	19009	1933	0	0	54058	22984	0	0	40924	1952	0	14493	5291	Peptide	0.14285715	1.1428572	0.2857143
12	C8 H8 O4	169.04953	169.04976	0.00412648	169.04953	115116	162645	149934	166683	220562	197788	137360	127431	226593	48127	73661	80185	246255	644479	139542	162045	105296	292777	268258	60422	55115	95007	154495	118088	131419	39980	147228	66265	149097	175373	171335	164317	168567	146851	71370	124738	155915	128654	116217	58096	46903	170775	52361	70796	85601	79957	51387	96093	165186	129870	148323	168984	196731	58495	205931	148873	151600	155854	62110	59415	156153	31824	288461	166297	289873	285904	273361	98940	49137	50285	46592	143050	141686	133111	136118	161309	60972	113139	112335	85552	129370	73678	65643	64979	149431	134915	159287	144723	175113	107766	150084	105722	132742	44517	51449	86876	151447	146183	167996	148265	174020	151350	118552	62979	45762	127924	156817	75604	87511	297236	Phytochemical	0.5	1.0	0.0
6	C8 H8 O4	169.04953	169.04977	-0.031055974	169.04953	178288	208739	150887	199087	296618	272003	112749	388592	283120	88207	109736	150812	394766	247793	218128	241796	113712	370821	334525	91873	102396	132074	173700	159142	110122	51816	93406	96060	225344	204309	546340	214306	202197	252625	154686	201599	190769	212016	148524	63593	65699	223881	82813	70736	97224	130551	66706	85389	203382	158794	184617	185520	232965	83625	221050	211986	167115	223928	69072	60363	261271	53636	378191	156883	132267	403777	221809	161915	84529	73307	78773	287334	220664	221750	106019	232954	72954	127249	103901	80006	134562	108083	92789	54160	185552	164842	142403	209489	268363	110248	111982	94352	138086	80584	87276	89527	174556	185265	169480	205511	251737	203174	181520	78094	78747	161962	161000	79938	96259	384252	Phytochemical	0.5	1.0	0.0
8	C8 H8 O4	169.04953	169.04977	-0.010026141	169.04953	159639	185881	119705	166498	277392	578046	132228	148315	360058	60239	79613	120308	408171	273482	151797	136821	121984	441452	364244	79614	61189	107783	183436	143742	119625	49813	176190	71851	159773	141369	156956	157493	171358	170012	105007	144549	177201	135232	136947	63128	51770	207834	69845	69068	105366	99020	55015	96912	152388	126109	147516	160640	229791	81464	282435	236081	207842	136579	63899	55063	148444	40268	363851	221371	171196	375983	181383	130343	62725	57725	52850	183939	170964	148344	95621	173320	77070	116604	147168	76595	155550	94924	74315	68539	267711	214627	181726	183354	237120	99313	87186	99976	144966	65184	46444	88167	168970	177402	373900	353812	383211	164565	148009	70189	50723	135529	332811	73568	119745	402582	Phytochemical	0.5	1.0	0.0
0	C5 H9 O3 N2 Na1	169.05836	169.05864	-0.0361807	169.05835	6864	5059	5648	5253	14218	13440	0	13381	19586	0	0	0	51920	22264	5845	3459	903	33367	23025	0	3599	17947	14408	10550	15716	0	0	0	24940	4378	19105	9634	36452	10437	20900	6323	15739	3329	1672	1291	0	5425	0	0	0	5055	0	1561	10030	2968	6413	4738	10429	1416	34551	6772	0	17262	4320	0	5775	0	43391	11335	2487	32782	26272	0	0	8806	0	9871	9421	5948	0	6787	0	4670	3515	0	2438	465	0	0	3410	1859	5486	5373	13504	4792	9511	10180	23039	0	0	779	5280	4734	4157	2158	2105	6955	6747	0	0	18984	2815	972	2464	81364	Peptide	0.6	1.8	0.4
6	C7 H8 O3 N2	169.06078	169.06102	0.030903576	169.06078	20612	21340	17136	19085	29618	22340	19265	23559	26123	7257	9624	17875	25054	19770	21397	30681	26537	41572	41304	4432	6861	18809	24068	25599	17223	1688	17902	8010	24743	20396	27266	23893	33708	27871	10253	21441	29333	20062	36914	3872	3105	25291	4081	4199	4371	9284	3311	4411	25480	21916	20870	21051	28443	4861	18299	15942	18005	32622	5062	4452	30504	2252	33457	16975	15725	29113	27852	34866	3457	6803	3717	25190	22047	19240	15790	21850	3226	13663	21721	9846	21078	6915	5509	2489	20190	19875	23880	30558	34253	58658	12722	12362	51557	6375	5128	5054	17125	18741	13967	12230	17777	28285	20315	5844	0	32745	17572	4214	21988	44189	Peptide	0.42857143	1.1428572	0.2857143
8	C7 H8 O3 N2	169.06078	169.061	0.05643889	169.06078	7672	9316	7361	10046	12289	8622	12971	10999	9971	1971	3090	9838	12977	9325	16717	13537	19645	20673	22047	2984	3397	11600	15760	11718	13126	1735	16658	3226	10159	7438	11881	10698	11516	9334	6301	5328	13247	13773	21089	2255	2199	11650	3931	4410	5375	5759	2233	4412	9865	7486	7722	9165	13353	4594	13480	7192	11225	11548	4564	4732	9953	2258	11153	12396	9102	12931	7615	20696	3317	2094	0	7801	6422	6095	8320	8639	3453	9123	21411	6681	16727	4387	5407	1371	7931	9648	21687	14714	12588	35259	0	7073	29151	5245	2932	4417	7728	8365	9789	10167	8843	11956	11679	2810	0	13876	10526	4002	18755	16830	Peptide	0.42857143	1.1428572	0.2857143
6	C11 H8 N2	169.07602	169.07626	0.13254404	169.07605	3415	4370	6118	4448	0	119116	0	13013	0	1970	1033	6536	0	3156	4492	15126	3122	633	0	0	0	0	3922	20632	8203	0	1964	0	12363	16210	17828	31015	11829	35421	0	27599	16991	5515	1635	0	0	29720	0	0	0	0	0	0	12103	11720	4001	4100	2613	0	0	450	2146	7755	0	0	10778	0	0	0	1325	0	7575	10962	0	0	0	13497	11786	13178	7128	10418	0	7310	543	0	1080	0	0	0	0	0	974	7778	8343	10797	0	0	8709	0	0	0	3453	5298	22024	0	0	15600	6035	0	0	9015	0	0	1099	0	Unclassified	0.0	0.72727275	0.18181819
4	C7 H13 O3 Na1	169.08351	169.08376	0.34555778	169.08357	421	0	0	0	0	0	927	0	0	0	0	0	0	25491	0	0	0	0	0	0	0	0	0	0	0	627	4554	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4209	0	0	0	0	444	0	0	0	0	0	0	0	0	407	0	0	0	699	0	5989	0	6204	0	2247	0	0	2763	0	0	0	0	8037	0	0	0	0	0	0	592	2583	14669	0	0	0	0	0	0	0	0	0	0	0	1872	0	0	0	0	0	0	0	0	0	0	0	506	0	920	Lipid	0.42857143	1.8571428	0.0
12	C9 H12 O3	169.08592	169.08614	-0.04675562	169.0859	565759	727818	668064	673592	680795	624840	1240599	756437	613387	275459	395469	391456	632246	2565777	564651	868866	725396	871905	858330	367724	308897	321982	547705	409389	547646	439834	1361287	437397	949047	855930	764529	935179	863698	780411	353588	840388	752704	574689	835334	210548	274684	707141	357074	159292	145907	295850	228940	174564	955042	615939	690678	687566	687910	150698	736645	536446	546057	792297	251266	322731	998039	176962	1114983	547577	1258434	990331	1256775	650479	222243	373661	318050	679402	784260	896333	784736	888888	107691	493727	383973	432981	388467	426560	1293603	2139492	487951	490821	599500	527458	719501	479542	457398	449955	472523	203930	278156	193863	690707	686977	614303	547040	631870	819502	485594	316212	180692	546009	537178	155723	412337	849261	Lipid	0.33333334	1.3333334	0.0
8	C9 H12 O3	169.08592	169.08615	-0.05642594	169.0859	767952	997386	680766	927342	727417	720028	1393366	795717	526523	518111	346562	529263	915520	9034277	570878	840355	928168	858103	1106617	757283	442702	457803	583730	486918	438596	954811	1509846	378432	947636	826484	714708	981115	782497	922280	470075	944848	805506	518282	1154853	278943	585023	924394	437258	136756	163528	643430	415915	161992	954956	748272	892612	879175	662168	190968	586350	876536	612901	762404	296460	457363	1269443	311768	2340939	531770	4136232	991964	4072173	945206	520053	927900	587481	770627	884950	908701	769855	1046871	121982	494996	450589	395889	405346	491374	1224303	5113096	555575	487712	685475	670155	866237	648151	359878	429271	661125	238258	371371	235301	896725	989095	1391776	697638	750217	808258	510690	563217	223804	558426	509962	139356	457615	1284456	Lipid	0.33333334	1.3333334	0.0
10	C9 H12 O3	169.08592	169.08614	-0.052967917	169.0859	986715	860663	816204	804473	981138	974069	1531996	1012490	726087	509456	540417	584448	1024792	5974055	751254	980872	890189	1145280	1178438	530230	407545	420134	649335	519991	680523	756064	1505139	873354	1167374	1081106	889252	1107175	1108279	1065429	471564	1100458	1035153	648273	1098824	282395	476184	998466	482886	154942	158460	460092	283191	181177	1028197	784250	907020	949301	799666	187127	797330	803069	603798	1193003	295249	563606	1400645	182880	1248866	629648	2779055	1361804	2743100	953941	387054	642869	498358	906335	1018892	1129001	900481	1068564	140746	530626	490774	939699	486507	490915	1728331	4384138	742949	695777	780974	711509	909179	560807	748437	614758	599721	333750	373265	245351	895383	1011666	1120015	743137	833662	963833	582939	516833	202146	677630	639465	168890	502041	981547	Lipid	0.33333334	1.3333334	0.0
0	C6 H13 O2 N2 Na1	169.09474	169.095	0.042228676	169.09476	0	1661	0	0	4774	8950	0	2233	2617	0	0	0	5782	3793	0	0	878	4796	3797	0	907	3065	0	0	0	0	0	0	4970	0	2581	1891	6566	1717	50537	0	2892	836	2026	1218	0	1235	0	0	0	0	0	0	1820	0	0	0	2380	631	4761	0	0	2719	516	0	0	0	0	2205	930	5522	5274	0	0	0	0	0	0	0	0	0	0	0	1760	0	1374	0	0	0	755	0	2082	1411	2655	3304	3272	1753	4732	0	0	0	0	0	1418	1195	1233	0	0	0	0	3178	972	0	0	8748	Peptide	0.33333334	2.1666667	0.33333334
2	C8 H12 O2 N2	169.09715	169.09741	-0.056708753	169.09714	30439	31087	23388	30749	45412	40315	17790	36782	34208	9335	14127	24980	42116	17613	23668	16204	31333	54741	39197	8657	12461	48421	21826	42998	26685	1712	9398	11093	38670	24156	38998	43711	52776	51834	14539	35901	52543	19718	37797	9434	7832	33605	2763	1856	2331	18844	8661	2352	38011	18324	25088	30315	45578	2041	34850	18082	26296	50014	10372	12193	18718	3927	42487	32139	24711	54340	36641	35438	2845	8678	4079	50133	47991	31620	12770	37269	1551	29105	23834	12469	19789	8214	9071	4352	28651	27311	23652	60502	49489	40271	23991	21957	63675	7984	7106	3762	29405	25982	28553	29158	25048	30930	29373	13765	6786	49972	29175	2524	23215	61756	Peptide	0.25	1.5	0.25
12	C8 H12 O2 N2	169.09715	169.09735	-0.014304815	169.09715	18001	22749	17722	16923	6651	5334	16336	9659	5126	3010	4585	10306	2565	3869	7360	48781	16506	6285	5043	3225	0	9591	4560	24192	6301	0	21287	0	13425	30362	10693	47348	15933	51017	1580	29814	33540	6514	15536	0	0	14903	1975	2430	1814	2735	0	2906	47231	30587	19998	24222	6335	2042	3623	1352	4775	60677	0	0	35589	0	1237	2536	3521	4376	5860	21565	0	0	0	30507	45187	33546	51570	46252	1363	5672	3317	0	4044	2013	2655	0	1493	3151	4517	21019	8842	16249	10907	7386	17722	0	2244	2471	18292	9290	3230	2623	2643	28911	6749	0	0	30689	3681	2600	6574	4584	Peptide	0.25	1.5	0.25
8	C8 H12 O2 N2	169.09715	169.09737	-0.08497728	169.09714	8324	12858	6923	11781	11259	8692	10160	14281	6805	3589	8325	8914	10558	6521	9245	21535	18786	19303	11051	4404	2452	10530	8595	18957	12547	3172	13520	33571	11811	11483	11743	16522	15647	17062	6931	13789	19552	9676	26026	2835	5423	9134	1668	1958	2443	5595	3009	2405	14717	12184	11720	13081	10547	2249	6417	4382	7254	17304	2560	4608	15287	2224	5426	5618	4994	10785	7493	21656	0	3018	3074	13979	13702	10413	16416	14043	1694	8303	10787	28469	9699	6021	5974	4731	7681	6963	14265	13793	12938	24388	23211	14676	25074	6402	4672	2470	9169	9799	5960	7220	4583	12496	11706	4470	0	16659	7856	1624	14662	12254	Peptide	0.25	1.5	0.25
20	C13 H12	169.10118	169.10136	-0.02398073	169.10117	22566	30918	22129	20182	18371	22477	16798	36574	15697	20776	12222	18469	13447	27683	24599	41823	30690	14884	30621	21313	20031	29566	17101	35086	21777	8657	17692	12019	27335	30814	27808	32090	40263	26639	19761	27473	38364	19505	31766	25358	11850	29355	2008	0	559	22269	18363	973	31120	26228	19438	21374	21040	1287	18362	15270	17874	37532	16733	14059	30334	8806	20150	16646	11384	19130	21783	24441	6633	16615	11382	25641	25376	27771	25165	36472	650	17532	21241	19547	23624	11964	14466	8364	15160	16017	24687	23279	28760	42634	41198	25256	42869	13079	28921	1356	17868	21414	17949	18224	15818	40804	23057	27099	12357	27593	15979	599	25380	18497	Phytochemical	0.0	0.9230769	0.0
22	C13 H12	169.10118	169.10138	0.008163934	169.10118	26579	18635	11905	16511	20627	13810	18058	28263	15483	13464	13938	15331	14377	15331	25754	32201	26585	17555	16102	17088	21109	25317	19784	27141	24086	9014	15044	13556	28764	28645	25784	24296	34928	25274	17245	30078	30597	21621	25927	15625	10251	32046	0	0	734	16476	7104	0	25058	23393	19196	22283	15720	1321	16637	11072	15931	38570	17477	13769	30410	7498	18159	14870	9700	16754	19906	31090	6140	6561	12844	23897	20228	27084	20611	28921	928	16866	21161	11894	16125	9043	11530	8631	18389	18657	27822	23610	21879	37791	31800	27083	34295	12922	25490	0	16466	18558	16357	17505	13617	43780	19965	24007	10455	27674	17444	0	23941	17632	Phytochemical	0.0	0.9230769	0.0
24	C13 H12	169.10118	169.10136	-0.010041132	169.10118	16589	16189	10001	12953	14382	11341	10760	21449	11466	14187	7731	12659	11600	10735	23751	28267	26702	11853	19092	11941	11199	16494	16677	19783	20190	5403	11209	7572	16136	21233	18949	21738	31078	15406	12041	18946	25921	16870	18997	7081	9784	33300	0	0	0	12610	7391	0	20976	23521	12823	15428	12816	0	11867	9115	12039	30862	11476	7761	18712	4859	8769	9635	5847	14299	21261	18499	3851	6650	4240	13727	16133	18573	18757	25459	0	14081	17414	10963	17250	9981	11330	5466	11811	7127	22194	12628	20420	30800	19967	18602	29639	8613	14400	0	13974	14613	12787	9123	8221	34146	13969	16189	7268	18563	10018	0	20950	10275	Phytochemical	0.0	0.9230769	0.0
18	C13 H12	169.10118	169.10138	-0.010208314	169.10118	18961	26074	19936	15364	17898	12811	18652	29434	11759	13086	16152	15489	16597	17368	21551	30314	25405	17362	24820	20079	13626	21468	22085	23880	19782	9514	16234	10657	20582	24129	20189	30289	29800	17700	19766	21906	20667	17712	28508	15696	12853	18594	1358	467	368	16617	14945	571	24387	23987	18074	17969	19205	418	14735	13017	12197	35491	13973	18107	31312	8286	12828	12350	10482	16622	18798	31156	9941	11258	12502	17194	18517	25124	28255	43789	328	15377	21043	11303	17307	14188	12036	11422	19192	16239	30176	18985	19070	32392	27829	21755	40297	13863	20438	728	13536	17566	15447	12791	14819	29811	17256	22753	5690	21431	10586	405	21911	13864	Phytochemical	0.0	0.9230769	0.0
12	C13 H12	169.10118	169.1014	0.007952873	169.10118	9977	13015	10650	11080	7683	2522	7724	13000	6050	4943	6254	8085	2545	4288	8465	16153	10035	5679	8211	9798	8868	14065	11233	11624	8032	5521	10662	0	10662	11008	9447	13164	11382	10900	9766	8509	10630	9270	16080	6904	7845	5831	620	400	361	7133	5896	363	10803	14622	10198	10322	4424	242	8789	5427	6053	17612	7631	8909	0	5034	6667	7463	4226	7985	5862	10631	0	7765	9735	7812	10786	10570	13539	14365	269	6556	11506	0	13615	7366	9803	4213	7401	6349	11278	6702	6959	21291	11200	10451	16096	5705	8863	546	6854	9100	4434	7766	6140	12563	9222	10204	0	10610	7577	0	9807	8269	Phytochemical	0.0	0.9230769	0.0
14	C13 H12	169.10118	169.1014	0.006858713	169.10118	12380	16224	11851	14094	10529	5490	14034	13829	9117	10950	8675	15064	6069	5151	13866	18280	20446	11135	9486	11973	9805	14036	14753	16641	11820	8412	15314	10776	12714	18447	13851	13810	20211	15082	14320	15517	14068	10861	24807	12502	14009	10116	0	0	342	9954	7968	0	21992	11446	12838	14345	9484	459	11724	8432	8315	18977	5592	13258	0	4566	8644	12351	6750	8738	8657	19139	0	9574	11173	11806	14271	18477	11616	15562	438	10217	14809	0	15797	7825	14340	5997	13048	6852	17196	9787	12164	28033	13807	12905	20040	7217	14220	626	15037	16047	8868	13577	13532	13650	14592	14368	0	16135	6705	382	12010	6309	Phytochemical	0.0	0.9230769	0.0
16	C13 H12	169.10118	169.10138	0.006753597	169.10118	12067	25000	20297	18959	13589	11209	15999	22679	11674	15030	9054	13911	8572	6837	17601	25762	23970	15139	20089	13637	10501	19969	15117	23888	17259	7739	18176	8586	20460	18176	22478	24658	22739	14284	14991	22264	20455	18126	32823	15935	13773	12095	638	516	427	12072	11827	710	25786	20071	18636	17601	16358	416	10401	10195	11950	30523	10260	16211	18484	7947	13720	9771	9518	13251	19340	22325	10451	10465	17045	16183	18233	24006	23397	23341	300	11035	20423	15032	16934	15356	13842	10680	15206	11552	27529	11798	15796	35812	14671	27765	0	10879	11133	579	20124	17675	12305	14569	18774	21066	15215	15701	6777	15721	15908	343	19025	13444	Phytochemical	0.0	0.9230769	0.0
24	C10 H16 S1	169.10455	169.10466	-0.062579535	169.10454	0	0	0	1258	0	0	0	2280	0	0	0	0	0	0	0	1843	0	0	0	0	0	2527	2348	21238	0	0	0	0	0	2048	1416	2069	1106	2184	0	1617	0	0	0	0	0	0	0	0	0	1505	0	0	0	1329	0	1201	0	0	0	0	0	4270	0	0	1215	0	0	0	0	0	0	0	0	0	0	1230	3645	2512	0	1818	0	0	1402	0	4238	0	0	0	0	0	1118	0	0	19178	4564	4143	11253	0	0	0	993	0	0	0	0	0	985	0	0	3864	0	0	0	0	Organosulfur	0.0	1.6	0.0
10	C7 H12 O1 N4	169.10838	169.10866	-0.15240678	169.10837	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12923	12723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1095	0	1142	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22491	2109	0	1101	1115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.14285715	1.7142857	0.5714286
0	C7 H12 O1 N4	169.10838	169.10872	-0.09295349	169.10837	0	0	0	0	4622	0	0	0	30542	0	0	0	2880	0	0	0	0	0	1763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2800	0	3140	19267	2506	0	0	0	0	0	0	1456	1003	2070	2364	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2074	2191	0	0	0	0	0	0	0	0	0	0	0	0	16797	3630	4772	0	0	0	0	0	21983	0	0	13312	Peptide	0.14285715	1.7142857	0.5714286
0	C6 H12 N6	169.11961	169.11993	-0.39459425	169.11955	0	0	0	0	0	0	4191	1593	0	0	0	0	0	0	1825	0	7179	39209	8270	0	777	0	1158	0	0	0	0	0	1990	0	0	0	1085	0	0	0	0	829	645	0	0	0	0	0	0	0	0	0	0	0	0	0	6169	0	11702	0	1913	0	0	0	0	0	0	8236	9855	0	6922	0	0	0	0	0	0	0	0	0	0	0	1062	0	0	0	0	0	5132	17800	777	5644	0	0	0	0	3239	0	0	0	0	0	0	0	0	0	0	0	0	0	3759	0	2325	0	Unclassified	0.0	2.0	1.0
2	C6 H12 N6	169.11961	169.11987	-0.11967693	169.1196	5489	6621	4412	5982	6418	0	2262	0	2285	1539	0	310	7863	1363	0	4122	1631	33322	51483	940	0	651	526	3136	4791	0	10722	0	1947	1367	2578	3085	16962	4635	1245	3663	17297	708	7497	0	0	10273	0	0	0	536	0	0	5885	1524	7509	5882	4231	0	33482	2078	2626	3892	0	0	3438	0	82210	20115	3135	13002	3649	11337	0	0	0	1969	3337	939	8300	2391	0	772	603	0	947	0	0	0	16635	649	748	14267	13599	2197	0	0	974	0	0	0	4440	4072	4727	2143	4113	15128	748	455	0	1836	3545	0	611	6538	Unclassified	0.0	2.0	1.0
14	C10 H16 O2	169.1223	169.12251	-0.059261244	169.1223	193430	210208	203868	209935	68308	120820	406873	237804	85455	34171	60922	239449	53087	561976	267904	270263	428353	61029	86520	33579	46411	59989	161748	109237	219419	61004	531987	108582	256198	254279	326995	428503	173206	122117	31579	298478	145831	264644	368619	16295	19767	183925	54094	27832	21709	42537	159167	31135	390471	242729	213340	173355	97416	30537	56111	54078	167807	332845	28003	43051	227429	16238	101008	45031	296245	110914	266250	432391	28949	34738	48372	92734	200116	351719	341937	353554	28072	165375	144480	490231	132051	91814	230131	408875	122280	183877	457730	96307	238794	358804	112149	69296	148610	30451	27215	33041	224884	153391	93651	88717	118164	265152	202285	34997	45734	241268	83324	27688	310334	49022	Lipid	0.2	1.6	0.0
12	C10 H16 O2	169.1223	169.12251	-0.065906994	169.1223	208098	270539	238381	264626	99944	157218	706368	238244	60532	65980	105561	211794	74463	1008667	232172	399182	417437	114406	132621	59503	53582	78350	161599	122709	262524	167287	792779	101274	311771	327020	261711	418586	282636	244766	60356	308412	275260	222234	436606	24117	45758	267964	44155	23387	21221	56359	72303	34559	483067	248611	257162	262127	228131	29182	59930	99826	167929	381276	35981	63528	364240	23765	162705	68034	596461	217997	580255	401447	47164	69379	66717	208344	232639	372805	476171	332738	24181	230167	119215	153270	135181	91082	547078	1244822	118699	219271	309522	172432	200025	285582	146792	88792	114110	28616	61531	29119	251834	245494	127863	82180	102772	389023	211094	56937	25441	255576	104854	30570	245898	73207	Lipid	0.2	1.6	0.0
8	C10 H16 O2	169.1223	169.12253	-0.053049862	169.1223	22661	27914	17987	24118	30419	22562	44849	23674	11522	10117	10442	17455	32964	62721	23051	30010	46736	13400	18668	14417	13795	12848	15920	15009	19472	18831	46137	12709	26122	30479	23049	36844	22509	22544	13909	30584	23180	22516	57400	6214	13360	28456	12119	8904	9865	17809	37415	9794	29197	21389	20615	27425	20045	10881	10560	25255	21875	27929	9500	12831	30365	7357	27125	10740	34395	28630	39082	49757	11038	13523	14566	17137	21463	38347	29386	37423	8451	17957	19346	15270	14806	16261	35472	80951	20449	21047	36725	16624	20053	34072	14214	15403	17848	5849	10186	8345	23175	25989	27149	40638	46940	32349	17413	14912	0	45695	22738	8645	24959	12290	Lipid	0.2	1.6	0.0
10	C10 H16 O2	169.1223	169.12253	-0.039558798	169.1223	42257	40189	37891	35759	32721	34999	99928	48309	18732	20454	17738	34815	26802	216757	41318	58249	67632	27986	31915	20059	16976	19148	29798	20155	48692	40446	117099	33653	58168	59108	43019	61014	41142	44095	21286	62271	42543	38243	83344	11719	22414	46556	36351	14563	13976	27925	31697	17286	62871	42002	45770	38583	27474	20529	21251	30258	25968	56919	21483	26345	57560	9284	49918	16884	90586	43721	100449	82502	18048	24106	21107	32354	54900	85872	76803	64247	14487	27114	30836	37956	28307	30014	95884	235101	50844	43666	66500	25122	34061	47355	33838	24776	25061	14446	20269	15869	36981	48120	25761	37176	46937	43511	32187	25025	15807	53000	37179	14996	43008	24799	Lipid	0.2	1.6	0.0
16	C10 H16 O2	169.1223	169.12251	-0.051858187	169.1223	78517	86959	80980	94004	72115	106926	303990	86419	37428	30636	60718	77515	65389	686503	91767	101928	186567	62157	69847	36661	27711	34525	70657	56819	82312	61797	278441	84101	109527	103566	97230	124660	101933	95671	39181	124617	91580	85690	198948	16933	37680	123112	86158	30641	30348	40964	47965	30307	132367	86421	94838	81800	68288	35805	38842	76538	132973	124354	24239	61023	97068	18560	111952	36495	390590	139461	264175	173496	24308	26353	37518	83632	99922	139829	134150	125710	37340	64117	66232	194712	51367	77129	299602	447066	73223	103447	151274	103258	94333	124362	98346	88885	51653	33218	25875	44374	79953	100736	99686	77010	123225	111542	61585	43093	33543	86916	93286	27600	99200	45275	Lipid	0.2	1.6	0.0
2	C9 H16 O1 N2	169.13354	169.1338	-0.025634822	169.13353	22943	26315	22551	22766	13147	19788	13849	36809	7025	6739	3156	13286	9415	11503	14465	56082	30912	35150	32509	10149	6891	43763	17643	45876	24736	2055	18961	5224	35857	28157	32390	35655	45266	14981	9491	29747	48513	14228	36366	5889	4625	21535	0	0	0	11047	4323	0	45948	32433	22714	24506	21502	0	7498	2611	6739	56317	1203	4240	50970	1684	9907	7396	5218	17170	22784	42202	1323	5112	2992	13704	19591	21960	47793	30154	0	17791	21465	11249	18071	2726	3128	3048	5314	7923	28405	13213	24242	78924	34010	22808	98438	5114	11368	487	20341	25737	6820	3418	4516	41333	13995	20234	2122	58479	7326	0	23808	20147	Unclassified	0.11111111	1.7777778	0.22222222
18	C11 H20 O1	169.15869	169.15883	-0.020141529	169.15869	0	3783	2422	0	0	0	44176	1789	0	0	0	0	0	66011	0	2595	0	0	0	0	0	0	0	0	0	10150	41094	4978	0	0	0	0	0	0	0	0	0	0	0	1526	0	2423	16229	1793	2078	2337	0	2096	0	2243	3900	0	0	3130	0	1932	1654	0	0	1675	1999	1226	4189	0	44751	0	16953	2293	0	4606	1737	2536	0	0	1978	0	2363	0	0	5509	0	0	7447	111752	0	0	0	0	1844	0	4697	2850	0	0	0	2828	2096	0	3002	0	0	0	0	16706	0	0	0	2388	0	0	Lipid	0.09090909	1.8181819	0.0
22	C11 H20 O1	169.15869	169.15887	-0.022642441	169.15869	8593	6765	7006	9032	3464	4597	93992	3974	1391	3634	13470	3682	0	263802	5405	2033	11185	0	2540	2265	1750	1936	3425	1344	4583	13621	75450	18454	2932	2933	1918	0	2361	2634	3190	4494	0	5165	6680	0	13293	8943	26617	10263	12039	4638	12681	8937	1912	2554	10351	6516	4242	12921	0	10185	10211	2817	4663	20055	6227	5738	71276	1301	144290	4265	33945	10221	6358	7669	11578	1465	2848	2418	4392	2993	14757	2226	2348	32170	4507	10112	37978	86493	2503	5584	4161	5000	5973	5883	16539	5566	2844	3759	4981	10691	8500	7221	11946	1131	0	2719	2798	7567	12303	0	3622	9737	3264	6471	Lipid	0.09090909	1.8181819	0.0
4	C10 H20 N2	169.16992	169.17018	0.13232663	169.16995	1571	1120	1156	859	631	0	491	1854	0	0	0	371	0	7318	0	36292	0	0	629	0	0	0	0	2559	5590	0	0	0	1439	0	1017	1494	749	1459	0	1214	392	0	731	0	0	0	0	0	0	0	0	0	1364	703	979	694	0	0	255	0	0	28394	0	0	23571	0	0	0	0	310	0	1432	0	1566	0	0	865	323	1439	535	0	462	0	0	0	0	0	268	0	0	0	0	0	393	0	0	737	0	0	0	1090	1051	0	0	0	575	0	0	0	2684	0	0	5014	0	Unclassified	0.0	2.0	0.2
6	C6 H7 O1 N3 S1	170.03825	170.03847	0.035911977	170.03827	1602	2359	0	2170	0	0	2379	1334	0	0	0	1773	0	0	4463	18156	4847	863	1388	0	0	1617	5483	9076	6749	0	2421	0	0	0	0	1040	0	1854	0	1086	0	4109	5292	0	0	661	0	0	0	0	0	0	1499	1619	2000	1440	0	0	0	0	1077	6520	0	0	0	0	0	0	1664	0	0	2807	0	0	0	1253	763	0	1735	688	0	710	13392	0	4985	507	0	0	627	3177	18619	3991	702	29378	0	0	37823	0	0	0	0	1285	542	0	0	1437	1141	0	0	3021	1007	0	12943	0	Peptide	0.16666667	1.1666666	0.5
6	C7 H7 O4 N1	170.04478	170.04504	0.043652836	170.04478	11536	11022	7666	11406	16641	135766	8061	11726	16047	2962	4919	6332	15743	13572	10459	8734	10415	20102	14816	5088	3827	12347	10865	12018	8689	4472	7251	4746	10928	9626	11061	11279	13927	13862	7296	8257	13695	9455	14320	4909	4445	27908	7006	7446	9571	7139	4732	8081	12314	9553	11889	12164	12272	10213	12093	10731	10438	15716	4410	4102	11863	3276	19302	9868	7858	18738	11569	13071	5295	3734	4372	9053	12308	6477	5658	11131	7197	7179	8909	3589	9683	8651	6673	3829	10091	9946	10593	14970	15061	11315	6176	7870	9011	4681	5508	9982	9776	11218	11606	9549	11818	13287	12873	8108	0	10448	8326	7672	8275	22108	Peptide	0.5714286	1.0	0.14285715
0	C6 H12 O3 N1 Na1	170.07877	170.07907	-0.045129586	170.07875	5363	4509	5480	3739	7684	0	0	9867	3743	1624	0	0	10725	0	1948	7981	0	11202	6285	0	2713	7113	3222	7897	1512	0	0	0	13596	5557	10183	10270	18676	21072	3439	6436	12070	1784	0	1381	0	3334	0	0	0	2570	0	0	11572	4898	2866	3344	5681	0	5809	498	0	9161	1733	0	6472	0	0	3403	728	9078	8074	0	0	0	0	20113	17894	8647	0	8727	0	3173	1071	0	0	0	0	0	634	0	0	6106	6681	4794	6413	5320	6004	0	0	0	4873	2843	884	0	0	7254	0	0	0	16513	540	0	0	11229	Peptide	0.5	2.0	0.16666667
8	C8 H11 O3 N1	170.08118	170.0814	-0.03549581	170.08116	185710	224118	158250	185371	182264	208606	266979	197629	192188	44890	73753	213219	197150	244800	229222	270119	371905	250663	285755	62388	48729	118333	196852	214986	184023	16904	291637	81826	258910	195293	223583	297064	286313	338003	76742	236258	297151	205789	433534	37617	29545	192267	37415	43366	49667	83260	44152	47827	260925	168741	185135	200320	207875	40379	202471	98567	160256	241043	50676	44500	223921	25293	158881	185320	155769	312964	196513	387531	31107	35218	28586	281864	268957	184091	230909	250414	36082	202611	177110	75411	169410	76614	59816	27359	143439	151757	226068	317528	279423	310782	111983	103259	266811	36756	36301	46268	179399	193823	151079	138443	147658	294395	225964	62769	22851	239454	164989	44385	199398	250717	Lipid	0.375	1.375	0.125
2	C8 H11 O3 N1	170.08118	170.08144	-0.027648916	170.08116	121125	127743	89616	113162	168172	163760	92820	122006	152267	37377	55742	105113	220206	157293	104226	70733	133402	256725	159012	43286	49888	101629	100556	105717	67290	23649	59318	31983	149856	100042	144440	151018	184929	291502	67874	129921	170816	92627	136116	48808	30528	118016	55626	44629	52103	60116	38179	48667	145723	77770	106187	127553	152264	39565	149603	101960	109001	150372	44160	42672	100599	23150	166099	126384	95997	310363	134131	153166	38874	32041	33644	350659	240722	117054	42166	148089	37087	97034	89053	25689	94607	64162	44095	31318	122634	100698	88303	285023	164987	114212	71839	54465	136871	25930	32945	63784	112056	126956	134782	116800	131707	125753	118319	46694	44834	116658	113268	46110	87494	244373	Lipid	0.375	1.375	0.125
0	C8 H11 O3 N1	170.08118	170.08148	0.02789563	170.08118	56369	66344	45389	58531	89157	83269	35327	78317	68399	25910	32230	40123	91491	86669	52887	37090	45398	116469	87400	27271	39313	63493	46197	68398	44705	27489	36535	25508	112044	42595	75393	82956	137241	242110	52653	72768	85893	44559	48982	48039	26841	72055	45212	46504	52922	51755	24799	42399	88335	43400	55394	63201	76451	33933	49765	43966	49950	99501	28383	24026	65596	20021	68344	54808	43693	84224	92057	44145	35614	24562	28518	275243	220065	60655	25172	105914	36730	45634	35585	28674	46540	42668	33137	26143	35118	43340	32215	142362	102300	37983	43988	26259	62232	22785	33640	52790	45403	64100	48019	62395	50507	66738	50249	32560	30476	69973	42633	43357	38398	118040	Lipid	0.375	1.375	0.125
0	C7 H11 O2 N3	170.0924	170.0927	0.015123031	170.0924	3685	4972	3926	4070	12884	76150	0	6730	9980	1264	0	2079	30860	31000	2394	4453	4969	15965	11077	1630	5258	10572	5774	5535	5141	0	0	1165	22052	1795	5412	4196	23973	5272	164266	2499	7849	3247	8542	4122	0	9144	0	3142	1551	1809	0	3439	3704	1931	2996	3674	9327	13219	9744	3883	2528	8594	1504	659	4873	0	18188	4763	6778	9855	20278	6950	472	6839	0	3634	3859	2743	0	4692	0	3662	3545	1483	4413	661	0	0	5440	3801	4454	9873	8466	12699	8016	5880	9659	0	0	8661	3873	4319	4534	3959	5432	5129	2395	0	0	11897	9863	2588	4256	31770	Peptide	0.2857143	1.5714285	0.42857143
0	C9 H15 N1 S1	170.0998	170.10008	-0.040749725	170.0998	6417	6967	5708	5805	0	0	2718	4716	0	1523	0	2604	0	0	2415	10500	14048	1779	2766	0	1149	27556	5376	28602	5675	0	0	416	3407	3594	3871	4047	13924	3246	1318	5149	9919	1662	14528	0	0	16229	0	0	0	2906	0	0	3168	4391	3188	6226	6050	0	0	0	1566	17468	0	0	11646	0	0	0	2009	0	9682	9960	0	0	0	4513	5292	4242	7793	2361	0	0	6334	0	5764	0	0	0	0	2264	5833	12202	16009	76599	0	1874	79448	0	0	0	4478	6567	0	0	0	8473	2344	0	0	51068	0	0	6115	0	Organosulfur	0.0	1.6666666	0.11111111
0	C6 H11 O1 N5	170.10364	170.10391	-0.2577743	170.10359	10694	13149	11430	11163	15755	15955	2133	14529	3069	0	0	8736	11503	46272	5099	5293	8277	65544	107988	1564	2600	1622	7000	13826	3586	0	0	713	18277	6452	11486	15675	29620	14052	1517	15359	19532	3904	6866	0	0	17077	0	0	0	3431	0	0	13140	14608	11263	9546	13321	0	50284	4597	5586	10465	873	0	5034	0	62253	37187	16619	15165	29344	7728	0	0	0	11242	11717	10256	4123	12854	0	9123	1470	0	2080	0	0	0	23907	19091	1354	16299	22932	3179	0	0	7934	0	0	0	10642	11526	10900	3395	5410	19943	4887	3405	0	9330	6817	0	1370	7452	Unclassified	0.16666667	1.8333334	0.8333333
10	C9 H15 O2 N1	170.11755	170.11778	0.006517259	170.11755	44959	36692	35416	32867	25153	26376	42485	65855	16565	18857	17134	26568	17332	19328	36537	131472	53311	28059	29261	26258	23290	24615	34094	71817	37211	8713	65518	19083	57186	61176	430386	53057	71055	68027	25861	61599	68855	30666	61776	16312	13313	48589	6368	3409	3713	40826	21060	3719	61277	49353	40949	37666	26021	5277	15565	11998	24693	150926	13931	22937	155039	9516	14497	12593	19611	26195	45286	71616	9326	16549	7677	59652	50265	54322	72721	56264	2939	25901	23482	22551	20501	19597	19855	11452	14419	22163	39370	33208	42799	40624	45108	30387	28761	15270	27813	3744	39323	38378	17106	19234	22544	67230	26332	26594	0	35032	26548	3812	31911	20529	Lipid	0.22222222	1.6666666	0.11111111
4	C9 H15 O2 N1	170.11755	170.11781	-0.062066667	170.11754	14295	16997	13447	16696	13849	10766	11083	12646	10463	9218	10665	8549	11950	12988	7610	25076	21938	12719	10157	7923	9850	17300	7483	10867	11903	2885	11405	6793	12604	12411	12601	13633	19957	13339	11727	12107	20038	8054	23481	8962	9205	12305	3140	2649	3134	10804	13116	3476	18241	9569	12724	11519	13649	3501	9715	6116	10584	23923	7059	12088	27041	5253	15058	8236	9422	14544	11506	20663	3358	6535	5853	13193	14689	12731	12414	12976	1754	8765	7244	4653	7746	9418	13678	15977	7783	9312	8462	12877	12871	16386	17835	22063	18143	6949	7971	4749	11291	13562	17429	13745	12052	20434	12304	13477	7348	14959	11889	3404	9310	15960	Lipid	0.22222222	1.6666666	0.11111111
8	C9 H15 O2 N1	170.11755	170.11778	-0.030916134	170.11755	54574	74298	54674	68231	41504	52843	91249	87378	28051	47891	33645	58930	27748	44401	66402	135807	176457	43703	44348	56287	47369	51596	40870	52693	62035	32470	96274	44470	107648	88340	104985	117857	105276	114142	58188	109438	105261	66511	192085	33775	41465	65485	6363	2413	2768	55483	72812	3166	123727	73167	60456	64675	59517	6976	26516	14287	42164	128560	26797	51401	111525	20672	24622	23095	31680	54020	64510	180963	22841	37152	39051	82751	110165	106550	115640	106125	2241	62738	40900	57154	44613	50588	54900	41577	24024	37471	79488	65937	66012	99797	79352	80757	75230	34618	55561	3481	63522	69098	26167	22704	23864	107622	57190	55290	19880	81883	46675	2690	72163	32634	Lipid	0.22222222	1.6666666	0.11111111
6	C9 H15 O2 N1	170.11755	170.1178	-0.07927574	170.11754	36939	41314	32043	35407	32084	27236	41401	29200	18722	71755	20825	17510	45719	30047	23378	48436	58168	27046	22109	28826	28870	29806	16444	24177	19418	12275	34402	16909	44272	45601	37408	52820	62200	51559	39982	58625	55963	25105	66468	19308	19905	34283	18973	2824	2779	32922	49519	2411	58126	41403	39883	40401	26996	15545	16288	11410	20119	58988	18522	54975	42179	10321	35019	13614	14653	42518	30049	76175	9319	19458	21122	43682	49092	55911	50335	56585	2252	18211	14119	15560	16848	24309	92629	240592	16224	21271	26300	28186	25715	50856	43291	42470	54106	15243	63202	3431	35138	35324	18234	13738	22230	47343	22831	26538	13365	32801	27452	2307	21343	87991	Lipid	0.22222222	1.6666666	0.11111111
2	C9 H15 O2 N1	170.11755	170.11783	-0.016396306	170.11755	35012	38174	29358	38110	66878	57481	12028	26858	51799	16340	14491	14315	102194	66962	12872	26800	0	75370	55400	15366	19646	30648	17397	21813	15431	2230	9804	8196	34725	20972	33536	38822	60071	31453	23817	30346	66993	12440	75313	14951	8398	42807	18234	2184	2828	13195	11709	2496	39092	14518	32331	34008	64908	3302	45769	38152	21072	57660	4249	7414	37451	4585	89634	40635	26508	102197	75207	67181	2350	9506	5415	26058	33915	24537	19023	27024	2216	12415	12128	3823	8410	6905	6934	7511	30404	21353	20715	71679	87436	52916	18070	24875	43052	7205	11578	4207	34705	33902	46547	66492	51821	61716	17761	18181	7805	61222	37981	2570	14554	97587	Lipid	0.22222222	1.6666666	0.11111111
2	C8 H15 O1 N3	170.12878	170.12906	0.034797713	170.1288	6245	6242	5310	5461	4212	0	3975	7695	2057	4176	1308	2954	4690	12912	3564	35207	9137	6842	8149	3578	2384	10542	3795	14079	6391	0	6279	0	6271	6438	6090	7199	8529	5536	4260	7529	8533	3551	11877	2474	1131	0	0	0	0	3684	2460	0	9382	4914	6054	4360	4169	0	2050	1386	2364	14635	0	429	37292	607	3064	1662	2549	5645	5843	14426	0	1091	775	6954	6366	4524	28196	6992	0	3178	5208	2290	4270	1028	701	797	2727	2265	5362	4269	5034	32584	2140	2225	23826	922	9063	0	6788	4896	2029	2302	2140	7529	3147	2945	630	11157	2246	0	5277	4287	Peptide	0.125	1.875	0.375
2	C10 H19 O1 N1	170.15395	170.1542	-0.044518262	170.15393	61905	63055	60293	58464	38029	15627	34732	54028	6762	76739	33871	20965	17980	112291	45410	77982	70098	16612	30467	49669	52319	58033	42971	38274	48454	15410	38306	30912	52214	53411	107047	68929	58942	46848	90122	50453	49893	47827	87649	33785	24537	33584	1517	2781	1666	22243	24208	3436	68997	41911	59863	61252	36124	646	7750	10259	18967	97490	4345	5732	72623	16393	12129	5489	15627	25560	38245	103026	10991	27361	32317	42682	41436	39304	80595	52172	1861	21777	87068	64317	24693	9853	11583	44450	7386	14091	471198	17848	32726	257461	653472	94240	73421	40679	80151	875	60082	61832	12404	5232	7047	51375	19618	46771	13014	49997	17857	3435	67476	12124	Lipid	0.1	1.9	0.1
4	C10 H19 O1 N1	170.15395	170.15422	0.049521863	170.15395	2564	3155	2838	2712	3877	1464	2097	1968	1376	3270	2585	1780	1435	13769	836	1916	2800	2529	3698	2507	4246	2936	1013	922	2104	497	5255	3250	2783	2306	6854	3588	4958	2798	4957	2796	2822	1208	4305	2545	1887	2708	0	404	495	1381	2309	372	3063	1406	3030	2698	1809	373	1036	863	1976	2958	0	0	1972	2059	4716	1208	35299	4030	2472	3556	1095	0	2045	2339	7580	5181	4327	7417	422	1721	3765	4268	1359	1020	916	2713	1919	1157	12580	5172	2820	11163	18621	4572	2046	4292	2942	598	1991	2224	3469	921	804	3572	1798	2343	0	1754	1184	617	1839	2708	Lipid	0.1	1.9	0.1
10	C10 H19 O1 N1	170.15395	170.15408	-0.08251298	170.15393	3298	3873	2447	3609	0	0	0	4752	0	0	0	1604	0	0	1494	3755	0	0	0	0	0	0	0	0	2555	0	5117	2882	15743	16885	94204	7144	30240	6361	0	18893	11231	726	0	0	0	0	0	0	402	0	0	0	8533	1981	4437	4035	0	690	0	0	0	2514	0	0	0	0	0	0	0	0	4006	0	0	0	0	3414	69450	43952	0	79761	0	6223	0	0	0	0	0	0	0	655	0	1902	8125	0	0	0	0	0	0	0	3126	3472	0	0	0	43465	1737	0	0	0	0	493	0	0	Lipid	0.1	1.9	0.1
10	C11 H23 N1	170.19032	170.19055	0.11753298	170.19035	6018	7904	4429	5071	0	1006	0	3431	0	1592	0	1015	0	0	2137	0	2368	0	0	0	0	0	0	0	1257	0	0	0	10683	8124	3051	18491	0	3026	0	6205	0	1743	1314	0	0	1139	0	0	0	0	0	0	2969	1370	6425	5456	0	0	0	0	0	5310	0	0	0	0	0	0	1751	0	1767	0	0	0	0	2908	74165	26524	0	96746	0	988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5007	3992	0	0	0	0	1328	0	0	0	0	0	1252	0	Lipid	0.0	2.090909	0.09090909
8	C11 H23 N1	170.19032	170.19057	-0.007095334	170.19032	0	0	0	0	0	0	0	66647	0	2678	1045	2512	0	0	0	10294	0	0	0	1269	1393	0	0	0	918	0	0	0	100908	33603	33491	8397	0	13830	4377	0	0	0	0	0	0	0	0	0	0	0	0	0	10988	26715	821	0	0	0	0	0	0	1108	0	0	9583	0	0	0	0	0	650	0	0	1402	0	15798	104296	234488	0	29970	0	2164	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1121	0	2044	3580	0	0	0	0	1599	0	0	0	0	0	1635	0	Lipid	0.0	2.090909	0.09090909
12	C7 H6 O3 S1	171.01105	171.01128	0.06483557	171.01105	5260	8102	4118	5283	6134	5760	0	8524	5727	1713	5961	1788	5119	7778	2709	16444	4607	5106	6308	0	0	0	6750	12481	6445	0	4433	19276	8195	10167	5947	9380	0	10003	0	6989	0	4820	4384	0	0	5404	439	0	381	3351	0	483	3945	7136	4099	7475	7231	454	2521	1254	1429	13331	0	0	18910	0	3816	2468	3278	7166	3891	0	0	1798	0	7277	7266	9154	3175	8153	356	1881	6361	52959	4154	936	0	0	2457	2563	13675	2970	4646	15811	59292	23292	7214	4245	7254	678	7476	5638	0	1033	2837	3984	2512	0	0	13428	2127	435	3059	3874	Organosulfur	0.42857143	0.85714287	0.0
16	C11 H6 O2	171.04405	171.04427	-0.025474036	171.04405	6046	6305	5547	8823	3644	7255	20831	13364	2028	0	1969	9713	3583	10093	6086	26694	52420	8532	5174	0	0	1903	6753	6795	9215	0	19399	0	26432	18382	14739	30896	27954	0	2348	25811	31918	8061	51521	0	0	6683	0	0	0	1462	0	0	25336	15748	7880	6582	5033	248	0	2208	1909	20076	0	0	18874	0	2963	1843	4066	3809	7806	0	0	0	0	7519	13269	11513	32502	17422	0	7746	5906	0	4244	0	0	0	1942	6275	7707	11481	11821	0	0	0	0	0	0	0	7338	5571	1946	1945	2447	42887	10189	1619	0	18775	1744	0	7841	0	Phytochemical	0.18181819	0.54545456	0.0
14	C8 H10 O2 S1	171.04742	171.04764	0.032042217	171.04744	0	3106	0	2609	3234	4568	0	0	1566	0	1507	0	6737	2768	1304	0	3220	3659	0	0	1503	0	1904	0	1634	0	1214	0	2018	0	0	0	2864	1817	2652	1730	0	2101	1384	0	0	1902	0	0	0	1462	8890	0	1785	0	0	2154	2125	0	1523	1321	1066	0	0	0	0	0	0	1365	0	2598	3394	1558	0	0	0	0	1125	0	0	1098	0	0	0	53936	0	1232	0	0	2398	0	1357	2384	3236	0	10071	6798	0	4872	4801	0	0	0	1387	1359	1881	0	0	1949	0	8353	1978	0	1312	2153	Organosulfur	0.25	1.25	0.0
4	C8 H10 O2 S1	171.04742	171.0477	0.05290762	171.04744	2010	3321	2065	2224	0	432	3090	2414	649	0	0	3271	469	0	530	3492	2767	365	318	4271	1813	861	483	418	438	298	22366	0	16539	29860	17575	10227	1023	1099	2774	8355	1104	420	2517	0	880	518	0	361	420	0	0	406	26873	3272	2199	1854	822	428	0	398	599	3863	736	2135	2726	0	0	0	0	0	937	1182	0	0	0	1081	0	4502	12047	24203	0	2183	488	0	502	880	1059	502	0	726	434	0	2416	0	0	0	470	0	0	689	2456	1880	0	0	770	1375	21269	10241	0	808	0	0	514	0	Organosulfur	0.25	1.25	0.0
12	C8 H10 O2 S1	171.04742	171.04764	0.11277625	171.04744	3032	3162	5875	4877	3884	4178	0	1499	1349	0	4420	0	3867	2458	2318	5226	2235	7140	2586	0	1362	0	0	0	2981	0	4496	16922	2561	2253	1177	1861	2318	3626	1663	2129	1891	2187	3557	1301	0	2791	412	0	0	1666	3153	0	3926	0	3563	4335	3471	0	2220	1065	790	7882	0	0	0	0	1705	0	1495	2571	4033	0	0	0	0	2222	0	1291	2861	2225	220	0	1302	31924	0	1223	2117	0	2290	2072	3100	5282	3809	0	16767	8211	0	9455	8818	549	3394	0	1665	2068	1355	2314	2602	3400	0	15038	1549	0	1987	2430	Organosulfur	0.25	1.25	0.0
6	C7 H10 O1 N2 S1	171.05865	171.0589	0.07936601	171.05867	2650	1632	1638	2298	0	0	3326	1108	0	0	0	1101	0	0	1438	7957	0	766	2459	0	0	3925	2209	41851	5177	0	2534	0	0	1273	1131	3127	1049	2019	0	928	1720	1573	8713	0	0	804	0	0	0	7339	0	0	0	960	1609	2031	0	0	0	0	979	6648	0	0	8172	0	0	0	788	0	740	8633	0	0	0	1387	1157	2289	5662	1763	0	1318	16448	0	6656	1341	0	0	0	1153	15824	3120	0	14002	0	0	14841	0	0	0	1871	1461	0	0	0	2038	1278	0	0	6111	0	0	10272	0	Peptide	0.14285715	1.4285715	0.2857143
0	C6 H11 O4 Na1	171.06277	171.06313	0.16922508	171.0628	34517	34695	32439	27614	11891	0	1968	6700	2108	12369	5054	4200	1744	0	2003	51562	1651	5804	3900	6073	1421	6272	1933	63266	1481	1675	7332	1366	3926	25521	3730	31012	1883	69039	2032	23769	27398	1853	1262	3389	2363	7687	0	1802	1224	9796	5409	1711	81397	30894	31239	31308	3372	1245	1557	1374	2495	14941	2163	2311	83503	1839	0	1752	1834	7831	5176	0	2215	0	2285	79936	107761	20550	25329	25747	1511	3445	1800	1920	1832	2124	2324	9576	1094	1668	1745	22252	14252	1888	2949	2995	6860	1864	11371	2489	30328	31944	1238	1502	2738	28917	0	20115	1590	13341	1226	2564	1738	2586	Unclassified	0.6666667	1.8333334	0.0
10	C8 H10 O4	171.06519	171.0654	-0.023916364	171.06519	178220	158323	145518	158362	283481	254796	195568	201383	283126	76025	98335	131283	388499	710828	199131	156164	134589	363121	316686	95628	78710	108920	208672	141535	150796	69097	159610	145272	233336	196099	196015	200090	228746	198368	89229	205224	208163	177568	167046	76996	64880	231842	139674	91432	110947	109605	52996	111902	181848	135919	161995	177631	251939	110424	298511	213999	149501	218372	81653	72370	210781	36624	328392	213838	385108	383396	324072	155600	64563	75387	64587	188438	194041	209960	118442	207857	86784	137464	132376	97774	150070	97327	239307	143079	217744	349032	167478	186521	243503	91583	129967	131968	147370	65286	52109	111638	167306	189192	225282	224369	239225	197887	166010	88738	68539	155342	188043	105574	119120	357619	Phytochemical	0.5	1.25	0.0
8	C8 H10 O4	171.06519	171.06541	-0.045015372	171.06517	321786	380993	284776	335373	514051	540220	335873	540920	465261	128769	185546	259490	705841	860780	382043	399905	336122	564171	554338	167437	117333	191745	427185	336646	292339	126468	307525	268580	509570	560623	627328	469470	351708	498671	175928	493933	351092	314505	363996	94042	76131	465658	147135	88339	119969	187196	78484	115824	441260	453427	289840	327303	437091	127536	491054	292141	315348	417177	99534	77940	408865	51956	631696	383541	528183	817710	523669	325563	81765	131297	90124	567367	539857	616722	264509	571601	82979	291534	264027	256456	236643	147013	283470	359785	315738	448590	360099	339828	446975	215887	209808	231499	385510	134231	85029	124823	324114	374599	354981	314647	366965	353680	299617	129944	68005	355463	295337	105366	242647	594755	Phytochemical	0.5	1.25	0.0
12	C9 H6 N4	171.06653	171.06673	-0.2228473	171.06648	0	0	3302	0	50609	7383	0	0	5960	0	0	0	1288	33845	0	0	5279	2433	5267	0	0	0	0	0	0	0	3716	0	0	1392	0	0	0	1906	0	1090	0	0	4747	0	0	23145	0	0	0	0	0	0	2062	0	1835	2029	27836	0	1463	1847	11666	0	0	0	0	0	0	2367	9264	5604	21278	0	0	0	0	0	0	0	4255	0	0	0	0	0	0	0	0	0	2677	4160	0	6507	3748	0	0	0	0	0	0	0	0	0	0	0	1240	0	0	0	0	0	25219	0	0	1847	Unclassified	0.0	0.6666667	0.44444445
6	C7 H10 O3 N2	171.07642	171.07666	0.0342274	171.07643	6897	8922	5684	8247	6194	5267	7167	10808	8395	2332	3554	6530	5534	4638	8633	13433	11307	9423	8518	1604	2603	8137	6968	13054	8334	1020	7625	3146	9361	8041	8498	7914	9943	10186	4069	6921	12395	8621	15251	1106	1287	5694	2446	2313	2285	5283	2507	1948	8712	7744	7275	7601	5573	2618	7187	6009	6681	11344	2697	4251	14292	0	7115	4669	5791	6093	7228	12929	1786	2228	0	10310	8192	7508	7642	8641	1501	5914	7310	2979	8439	4048	2859	1286	6803	7666	9858	8702	7382	22129	6077	5326	22951	1897	2013	2380	8136	5779	4489	4925	6787	8834	6717	3438	0	12379	7961	1987	7795	8617	Peptide	0.42857143	1.4285715	0.2857143
4	C7 H10 O3 N2	171.07642	171.07669	0.008250279	171.07642	10383	12345	8909	10543	13060	7323	7553	11386	13394	2227	5413	6450	11033	6975	7628	11746	20812	19796	17575	2672	2869	10722	6367	12241	7056	1613	7165	4135	12036	7002	10894	11804	14112	8497	6171	9962	10757	7733	24585	2883	3001	11553	3876	2900	2638	4639	3567	3166	11277	9744	10231	8528	12169	3410	10381	8524	10435	14459	3267	4099	10683	1620	11874	9888	9415	14702	7784	18961	1736	2940	1972	9129	11140	9275	8396	10675	1826	6274	6850	17993	6681	5038	4530	2427	8661	9791	7713	13424	13569	16557	9223	7367	17614	4142	2262	4162	8024	9053	10400	11364	8812	13041	9114	3689	0	13119	9913	2686	7609	17297	Peptide	0.42857143	1.4285715	0.2857143
0	C7 H10 O3 N2	171.07642	171.07674	0.009099832	171.07642	4442	5553	2698	4579	9755	0	2579	8767	8994	1827	2633	3370	13598	11335	4705	2416	3285	13858	11886	2110	4082	9018	6313	6195	6233	2090	1956	2996	16246	3909	7365	5618	25272	7135	6723	6160	6477	4057	4201	3124	1747	7680	2464	2504	2758	4237	1820	2510	5107	3602	4215	4012	11678	2602	8315	4768	3899	9102	2323	2403	5638	1390	17320	6834	6240	8015	19001	3049	3029	1722	1714	6474	8726	3803	0	5219	2162	4068	4918	3931	4777	2890	2468	1739	4319	4593	5177	6878	8913	4476	6255	4663	14044	1760	2035	3328	3572	4915	6539	5005	5922	6239	5532	3366	2308	10055	4649	1886	3789	23860	Peptide	0.42857143	1.4285715	0.2857143
2	C7 H10 O3 N2	171.07642	171.07669	0.009914076	171.07642	9970	11437	9147	8274	16139	0	7534	11613	19287	3049	3932	8369	16219	12536	9522	6389	16498	22350	17726	3842	4759	11025	9951	9336	6060	1597	3995	3489	12003	8351	11895	10662	13246	10489	5469	9640	10019	8760	16257	3416	2300	14971	2614	2784	2483	4527	2756	2563	10220	7931	9043	9463	17419	2747	17563	10835	13138	15364	4372	4180	8220	1709	17407	11989	15948	19076	14259	16815	2673	2518	2531	9492	9983	8252	4764	9105	2019	7356	9978	4946	11283	5773	4138	2235	13118	13958	8989	20722	15806	15316	6446	5360	18936	2757	2091	3426	8484	9570	16649	11499	14449	11381	10462	4073	3405	11681	14603	2990	10675	25731	Peptide	0.42857143	1.4285715	0.2857143
12	C12 H10 O1	171.08044	171.08067	0.03547459	171.08044	15396	19133	15094	15698	13899	9692	12616	16988	14525	15316	10326	14194	9703	6942	13266	21411	16434	12576	19658	18599	12702	24338	12742	18498	16918	11972	13532	8842	16233	14100	17086	19359	18625	15552	22548	17212	16042	13298	19799	11587	17845	11774	2639	2878	2250	9629	9478	3123	18211	15414	18810	18082	13155	2759	15036	12916	11262	24955	9839	11180	0	6744	18850	11153	8913	18668	13227	14922	0	12952	16577	14749	14086	16059	19001	20664	1801	14945	16103	0	15707	13892	9668	11015	13350	11892	20664	11136	17666	21527	14808	16401	19046	12825	14511	2742	13812	16043	13004	15317	13554	20749	14024	12882	0	13324	13067	2647	11442	12394	Phytochemical	0.083333336	0.8333333	0.0
18	C12 H10 O1	171.08044	171.08064	-0.012093748	171.08044	20882	24387	20318	21336	23854	15913	16327	23336	14304	16979	16763	15778	16684	21607	21287	24980	24500	26507	27249	23086	16621	20255	16260	23367	17841	13205	18098	15571	24799	24320	21049	28046	28296	25445	22442	20203	30199	17273	26674	13071	15725	23067	4496	2895	3030	12941	7833	5036	27889	18660	22629	19652	20667	3835	19292	17788	14654	33510	12909	14287	23322	10170	23679	12845	14216	25008	25121	30986	9333	15167	12138	17123	16777	22407	20747	25269	3487	15642	23871	16919	17381	11612	12829	8297	14069	19768	25900	21541	22145	23660	24212	24445	25039	8327	15776	3668	21552	18261	17520	18875	22526	24631	18171	15266	7204	18640	10012	3652	18828	15940	Phytochemical	0.083333336	0.8333333	0.0
16	C12 H10 O1	171.08044	171.08066	0.017555084	171.08044	20662	23067	15042	20000	21311	16682	19109	20943	18000	22778	13977	16582	19671	15093	24110	25577	26551	23655	30692	25943	18576	23480	20151	25065	19411	16030	18311	14259	20041	19472	20726	24119	29735	17595	29182	21198	24085	18425	29101	17169	12895	17939	5386	3007	3549	15757	15144	3272	23967	17293	22850	21881	18656	3698	19780	14842	16926	27469	13711	13060	20842	8090	19079	17641	9418	21718	21941	22170	13847	19093	14860	15599	25678	24251	19592	24010	3042	15967	24686	13366	15145	15453	15424	16002	14898	16285	28011	17388	23580	28473	20350	18738	0	13069	22083	4131	19615	19017	19221	15993	18382	23444	17582	16300	11712	14916	16949	2731	22256	21594	Phytochemical	0.083333336	0.8333333	0.0
14	C12 H10 O1	171.08044	171.08066	0.02794807	171.08044	16906	19522	15375	18267	17834	13881	18596	17816	17865	13095	10908	17609	17513	15134	18885	28234	20520	18289	17425	22780	21639	17065	15769	12374	17311	15750	17602	16517	20239	17813	15615	19769	26397	16626	28904	19286	23488	18871	20875	15353	13278	14063	0	2747	2561	11830	14297	3243	23183	18175	18379	15358	16683	2333	17782	14808	11547	21871	17082	15204	18630	9076	21238	19026	11046	20165	15603	23886	0	20940	19860	18534	19016	21213	16058	22991	2132	13178	20507	0	16691	15079	16091	12604	17793	16081	23459	15708	17528	36444	20861	12993	27097	9914	16031	3229	18720	19620	15042	21656	15869	17403	15824	21401	0	16714	14175	2548	17034	13810	Phytochemical	0.083333336	0.8333333	0.0
0	C11 H10 N2	171.09167	171.09196	-0.056305844	171.09166	0	1908	1920	0	2261	0	0	0	0	0	0	0	0	0	0	0	1900	37644	42998	0	0	0	0	0	0	0	0	410	0	0	0	0	1268	0	0	0	0	0	2304	0	0	1437	0	0	0	0	0	0	0	0	2230	0	2445	0	2850	335	0	0	0	0	0	0	0	3119	80277	0	2285	3424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3306	67441	0	12346	11022	0	0	0	0	0	0	0	0	0	510	0	0	0	0	0	0	0	603	0	0	0	Unclassified	0.0	0.90909094	0.18181819
8	C7 H15 O3 Na1	171.09917	171.09941	0.15555127	171.0992	6450	5812	8803	4933	3171	2753	1403	0	1627	3214	1291	685	1551	28986	677	1763	0	1351	0	0	0	147275	0	0	0	1503	5603	3361	0	1820	1578	5955	4432	2340	4013	896	3610	1901	1030	2779	3563	6439	4293	1849	0	8697	8784	1291	5066	1799	0	5457	2591	2120	0	1722	15220	2003	2104	2519	0	2329	0	12575	28149	27280	28091	4366	0	6380	4425	2390	1195	1418	44561	3078	0	1062	0	3851	0	1817	0	21988	25079	48461	0	5953	7432	1434	0	0	0	1587	0	5564	6671	3433	0	4308	8530	2121	815	43154	0	14638	30066	1625	643	0	Lipid	0.42857143	2.142857	0.0
10	C9 H14 O3	171.10158	171.10178	-0.075324565	171.10156	448488	393183	385227	398139	279688	527150	791224	484120	158166	212527	203258	284933	291521	3260209	373465	504492	446524	328199	484165	243011	149878	170195	323744	354784	342213	515826	863286	365898	604566	516491	383150	566678	409370	477941	141100	529568	383875	317634	462533	106540	178737	590935	354778	83190	69852	312214	129824	90069	525356	443749	430056	415934	242774	155222	170468	544525	358264	586059	138112	168959	693921	113199	575489	140567	2160459	397738	1842331	460088	225313	326961	208320	442467	552089	610590	453022	510164	72818	275942	251616	406871	192774	312915	611713	2563441	200114	275706	414253	314041	478346	415517	249736	188617	355948	96908	146844	117895	432772	483826	740313	186841	248352	469626	257367	249823	96058	297033	179986	85197	277026	350611	Lipid	0.33333334	1.5555556	0.0
12	C9 H14 O3	171.10158	171.10179	-0.055307247	171.10156	188726	215776	205277	218741	153439	180092	379752	220275	117669	74707	93402	128186	147352	473499	216063	373226	247643	169704	173867	63112	57266	70774	176500	128999	217306	82027	555343	136091	305883	317266	230526	389333	232745	278558	71109	330426	225346	216955	279844	34522	43362	217295	83571	56543	45029	76132	38650	56928	402137	252300	211114	228373	139683	83234	118578	96903	134597	314303	36016	65110	314474	23709	187861	102874	318376	267970	309025	247187	31507	44794	41030	209733	272341	360451	362673	359960	39987	169315	130732	237172	130005	83054	267610	547842	115464	169513	280333	143637	168689	207940	160860	92685	153350	47435	79940	64959	214915	205469	124142	149341	189716	247437	150586	65071	40767	168051	133611	56480	185786	179339	Lipid	0.33333334	1.5555556	0.0
6	C8 H14 O2 N2	171.11281	171.11305	-0.007589512	171.11281	11913	14558	10996	11891	15070	10505	7013	11785	7806	6211	6690	6315	7338	13010	7844	27082	14189	14779	13437	2723	3270	18403	6813	29641	9813	1510	6621	36825	8304	8283	11063	11726	13438	10079	6576	9737	13784	7370	16810	1873	3586	10741	819	402	384	8570	5582	348	10900	7987	14623	12920	13027	528	9141	3092	6070	23492	3193	6025	22006	1657	8745	5369	7266	12546	14290	18072	0	3443	3656	8215	8887	6864	8637	9028	363	5428	10389	210631	9389	5102	7086	1157	6637	7549	14237	10887	10452	39060	194423	49659	41703	17169	6529	715	13757	10625	5686	3557	5805	14027	5520	6894	0	18086	10184	357	11974	12314	Peptide	0.25	1.75	0.25
4	C8 H14 O2 N2	171.11281	171.11307	-0.06708346	171.1128	21059	25653	23642	21408	36269	38943	11819	17657	18836	6682	10018	12413	26980	14193	10272	32407	39053	28091	22248	6054	5476	21297	14744	18820	12766	777	15328	26495	17665	19321	19908	18685	22730	20905	9903	17462	22919	12096	38660	6313	6937	16109	1082	548	396	7742	8515	552	19633	15271	23903	15816	27418	544	19715	11270	12485	26876	5109	8102	26695	2825	28521	16632	10963	31361	20851	36968	1751	3188	2905	17012	14756	18528	22098	20995	335	9891	16218	108528	15310	6606	5846	3101	18290	18217	19710	23548	17618	45841	100977	39814	37766	21711	8586	781	18879	21782	24089	18495	20461	19497	12105	7291	4407	23537	28768	753	15995	39267	Peptide	0.25	1.75	0.25
0	C8 H14 O2 N2	171.11281	171.1131	-0.1273384	171.11278	22610	21607	19436	18998	64553	54332	7836	31842	47267	7898	12250	8834	50977	31070	12559	13730	29482	83866	64029	6810	17835	39675	25858	23469	30569	1199	2505	58694	51372	8536	36249	19838	82173	22399	14843	17901	29291	16437	35247	5854	2601	38551	1918	506	348	11421	2843	1013	23683	8650	19975	19487	69517	1112	38132	17101	15923	48673	7557	5353	19502	1479	66278	34125	19610	48287	81881	28267	1098	3675	0	16702	20925	13695	4584	21784	771	11262	24452	213308	14786	3838	4446	1357	29623	23687	34822	37689	43339	47218	191464	98344	55340	36571	2865	652	20662	23410	23185	20968	19397	18179	11850	8145	2608	54581	41950	1141	18784	108290	Peptide	0.25	1.75	0.25
2	C8 H14 O2 N2	171.11281	171.11308	0.007374006	171.11281	19396	23924	16595	20592	20344	21081	3120	7431	19785	4624	18621	4563	21017	8577	6490	11874	10166	25800	22386	2797	2983	14733	7668	12725	6694	608	2728	90925	11211	5774	8701	8427	14114	6856	4746	6514	12591	4698	11666	1947	2243	17470	620	565	320	3177	2609	546	9726	5051	20043	17670	18572	321	16269	8253	7679	14242	2042	3859	10820	668	37228	12708	10627	21354	18694	13414	889	1280	1170	6165	7441	4935	5528	6418	306	4450	5875	368848	4335	2562	2112	1092	11739	8599	6786	19375	17247	22224	281315	205647	25948	73329	2825	666	20226	17242	13443	14894	12712	10934	4596	4292	1471	18026	11514	532	5028	38488	Peptide	0.25	1.75	0.25
10	C8 H14 O2 N2	171.11281	171.11298	0.0369928	171.11281	0	2313	1850	2736	870	1661	0	0	908	0	0	904	0	0	0	3365	0	1449	1765	0	1194	0	0	0	0	0	0	7711	1144	977	0	1411	2068	0	0	1540	1588	791	1168	0	0	1561	499	600	436	0	0	583	0	953	1543	3020	1335	410	0	681	1193	2135	0	0	0	0	971	939	926	0	0	1783	0	0	0	0	0	0	1379	0	0	833	0	64974	0	848	1296	1665	0	713	0	1302	1083	6161	95513	18121	4259	4443	0	0	1594	2070	0	697	0	2547	0	0	0	1679	1080	674	1306	1471	Peptide	0.25	1.75	0.25
8	C8 H14 O2 N2	171.11281	171.11302	0.03847031	171.11281	4765	5860	3931	5965	2579	4023	1853	1730	2377	0	2049	1851	2413	1913	2376	3655	3229	2495	2460	0	0	2825	3266	4831	2427	0	1609	14264	1167	1625	1670	1536	2014	2599	0	1900	3289	3024	4680	0	0	1908	620	432	516	1952	1612	411	2025	1335	4949	4765	1513	434	1798	869	1095	1946	0	1588	4178	0	1480	1083	0	2650	1808	5024	0	0	0	855	1607	1342	2370	1373	302	1784	2779	118749	3080	5581	1589	1360	2560	0	3811	3452	1783	4170	130828	43836	3279	21317	1817	601	4134	3702	2367	1288	0	2224	2064	2515	0	3155	2230	337	3192	2899	Peptide	0.25	1.75	0.25
24	C13 H14	171.11682	171.11699	-0.038521625	171.11682	65433	81840	57124	69859	54660	46910	58269	98493	39017	51785	44541	55002	47944	56072	86642	119940	115679	52452	70763	64498	63342	70916	67730	92320	76218	40431	65602	48449	73604	83579	70966	96777	101423	85249	57889	97644	104762	74266	115452	41870	40037	97904	5407	2836	0	45406	51260	2542	100931	87829	64885	70772	48044	0	48086	36035	42007	121378	40689	41490	108246	28347	43904	33130	43188	50089	62317	120211	29101	36451	45095	75924	72621	84135	78184	89121	0	55832	81781	52025	64390	44183	50899	35462	49271	41764	93081	58571	66238	157831	100402	78377	149182	42861	60867	3232	63663	73188	50824	41114	51614	123171	58960	67313	36869	94882	39379	2126	83958	45377	Phytochemical	0.0	1.0769231	0.0
12	C13 H14	171.11682	171.11705	-0.004532164	171.11682	26886	42751	38947	36168	22405	16284	33608	39978	19014	23321	22204	22631	15949	13405	27275	49169	40873	21832	29803	33645	31146	41007	26804	39822	31597	20488	40693	14819	30646	33478	35536	39412	38845	23895	24385	37388	32732	29797	52131	24543	30278	19174	2132	1516	1719	27944	31617	2542	36124	33099	37260	40563	19823	1832	22387	17663	19420	52605	18500	34428	37750	11556	21495	20040	14678	20228	19953	48966	0	23094	36463	23398	28279	39696	51991	45328	1146	25162	37624	22669	35607	26741	38084	22678	23441	17653	40597	18691	25013	93559	33777	32002	56267	20457	31623	1856	36417	37756	18931	31985	29400	31409	27282	33796	0	32097	23178	1794	36304	18870	Phytochemical	0.0	1.0769231	0.0
10	C13 H14	171.11682	171.11705	-0.024540117	171.11682	22736	19876	17615	15228	11445	8440	17854	20246	12226	9805	9720	13488	9966	8690	16344	26298	25850	12306	12623	15225	16039	24306	12723	20710	16513	16185	17366	11423	18837	15671	14356	19953	22722	14619	15275	16383	16579	16352	22829	14332	10419	10633	2121	1650	1691	16683	14513	2177	19704	19314	16645	20186	11521	1365	11835	12573	9344	23116	14468	18979	19941	6234	10684	10160	8106	11286	8476	30424	15195	12119	14701	14425	15539	15449	21019	18699	1559	10660	22637	11369	20806	16484	17362	10334	19366	10673	19729	11704	11795	43644	20213	15575	29226	12562	16513	2177	15885	20615	13397	18552	19198	20762	15064	18227	0	18683	11665	1540	14565	9859	Phytochemical	0.0	1.0769231	0.0
26	C13 H14	171.11682	171.11703	0.01303118	171.11684	36783	32288	26830	28594	25618	16768	21587	45698	21367	16186	21560	28586	20297	22387	39819	52486	41786	22434	31840	28276	27057	35653	29716	41603	42357	23748	26114	24984	39733	44269	38045	46891	52295	33671	23379	46409	48418	38683	46430	25484	20132	76692	0	0	0	17981	17151	0	48214	31528	31700	31835	25868	0	16084	17183	22516	59997	18829	18065	48348	11228	18531	16592	14480	23660	24568	53223	21034	23407	20914	28103	35851	49112	30785	49409	0	27834	40118	25832	21264	19943	28886	17724	26594	20147	55479	22806	27609	68713	48941	32565	77255	24445	21544	0	27682	32391	20452	22989	22477	54749	30794	30111	13414	36939	22494	0	40626	16491	Phytochemical	0.0	1.0769231	0.0
20	C13 H14	171.11682	171.11702	-0.03295531	171.11682	89098	103678	86250	76489	87952	59796	94877	110592	61965	62841	53497	75814	60404	81627	108673	140437	149156	74134	97340	79933	76916	103467	74673	106585	84944	51679	103161	44386	102875	101227	81702	111378	128603	97643	73109	96378	113508	80301	143278	66607	48905	92246	5913	2611	2286	61853	63733	3391	109406	85406	88183	96763	70088	2821	62956	57812	58373	147238	62865	72034	105037	33989	57544	58669	45896	78171	68894	140510	37080	76654	57834	89572	90685	107069	137384	111686	1876	63270	94763	81219	79847	44952	90255	53791	72744	67530	123572	80731	78199	221935	142663	96352	180945	61726	61369	4662	82175	85980	69044	77694	90133	140971	87274	98573	38799	107639	62972	3328	93795	66285	Phytochemical	0.0	1.0769231	0.0
22	C13 H14	171.11682	171.11702	-0.031903643	171.11682	87137	102141	66186	81337	82574	76622	89783	133786	57398	67995	50267	77240	53423	82522	93491	151894	152169	72441	75077	73503	80622	111782	89005	123640	103837	39021	90280	52258	117305	115142	99441	119848	126630	126066	71365	120056	122783	90007	138912	57773	56978	110417	6399	0	2402	71247	62747	3466	123403	113155	93901	95495	81264	2955	62621	54212	58697	163534	61547	61496	138639	35449	57576	51613	44193	73473	80537	147996	33629	53713	53370	105657	90988	108470	108588	134386	2818	78034	95922	61992	79249	52628	70075	55927	62923	66971	116599	89861	83378	195024	139040	115942	196502	57018	75644	5173	73001	89810	71628	69892	65805	164205	89892	87272	44835	120900	61011	2954	93132	65885	Phytochemical	0.0	1.0769231	0.0
14	C13 H14	171.11682	171.11705	-4.50816E-4	171.11682	50761	50129	46634	48039	34333	25639	54184	56756	34207	33739	26038	38112	32272	24977	40180	69622	72622	39172	38866	46998	43664	59601	41729	50498	46289	43536	54420	26638	50975	52072	45266	71217	62158	37475	48330	50471	46954	40208	81090	38962	43429	38505	3435	1663	1468	32169	45530	2095	52744	50325	49371	44298	34479	1802	34790	33971	28388	83770	26438	50409	57085	18578	34870	29797	22605	34198	33069	77763	26421	45991	54353	38059	44129	56924	58667	65037	1068	34454	51966	39702	49764	34338	49712	44992	45043	27589	64435	33321	38201	122072	60573	48619	91638	33012	40393	2767	52540	44068	33673	53031	52450	59622	39150	47074	0	64365	33939	1595	47913	27411	Phytochemical	0.0	1.0769231	0.0
16	C13 H14	171.11682	171.11703	-0.035756454	171.11682	65734	79838	55834	55849	55743	37212	74068	74332	41392	44658	43112	48218	47473	42814	59779	97713	117602	52659	67456	59974	57086	79656	50241	85962	61677	56456	69850	33517	55171	63767	64621	77605	76821	45564	56105	70546	71687	56264	125787	49897	64496	51366	3499	1568	2042	43435	51552	2446	86252	70415	64518	70368	51485	2657	45771	38064	43617	107084	42703	58090	64873	30683	46840	43651	32738	49881	48685	97236	42088	54890	60471	57517	66354	66473	89213	80659	1366	44720	77101	49241	58774	46889	73602	57132	56580	42424	81299	49804	58076	181849	79848	65868	110495	43793	57505	3457	72249	60213	46413	55093	75652	83707	48686	64890	29252	77144	43727	1626	67965	46766	Phytochemical	0.0	1.0769231	0.0
28	C13 H14	171.11682	171.11702	-0.007823119	171.11682	10174	9729	7652	8759	9845	5438	7925	14574	6127	5821	5745	7586	4827	8841	9254	12858	11592	7732	10322	7945	6232	10296	7874	11145	9565	4872	8903	7445	11811	14828	11944	13684	14910	10902	6557	15492	11475	10117	11035	6882	6975	9656	1938	1288	0	6838	4114	1728	12719	10317	9118	8375	7290	0	6531	5233	7366	19772	6104	5371	14102	4751	6027	5765	3965	9348	7671	12216	4996	5760	6045	9872	9707	13742	7659	14374	0	6427	10498	9015	7884	5276	7684	6976	7197	5212	16509	7526	8715	23772	14514	10414	23096	6847	5964	2144	8896	10416	7098	8913	11182	14718	8791	8191	4323	13471	6546	1390	9203	3900	Phytochemical	0.0	1.0769231	0.0
10	C10 H18 S1	171.1202	171.12042	-0.09800408	171.12018	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3262	0	0	39452	21447	0	0	0	2623	0	0	0	0	0	0	0	0	2669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1648	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.8	0.0
14	C9 H18 O1 N2	171.14919	171.1494	-0.055914555	171.14919	248269	236821	227022	257103	234255	582925	33433	37498	23766	261167	210415	42704	125574	805795	30820	24311	50396	245235	373948	134990	317303	35887	24302	31701	30463	32379	40891	985857	40157	40602	47441	67118	31659	54828	77399	49064	47713	31213	43479	34829	53200	893603	114062	111372	94079	25996	75365	123650	40586	35087	250342	194270	296599	102350	19111	111980	1245713	33223	34077	71370	24821	33090	26947	27472	2361209	221492	652627	55642	26483	24924	43587	48176	67468	68782	48327	79373	110630	34918	21531	33506	29125	43716	35025	38229	1203970	1497330	21702	1933938	432440	53157	23964	39106	60684	27817	24570	128299	275371	183937	167156	379343	2231306	31947	39780	31121	21550	111330	877952	122222	30205	20801	Unclassified	0.11111111	2.0	0.22222222
0	C10 H22 N2	171.18558	171.18564	-0.02132703	171.18558	0	0	0	0	0	0	0	0	0	0	0	0	0	25110	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	469	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	738	0	0	0	0	0	0	2913	0	0	2024	10874	3870	0	0	0	524	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.0	2.2	0.2
4	C10 H22 N2	171.18558	171.18575	-0.24937725	171.18553	1887	2628	1703	2309	404	0	452	0	0	0	0	301	0	0	2398	7027	0	0	0	0	0	1639	7111	386	5487	0	0	0	0	0	0	0	0	0	0	0	0	2367	0	0	0	0	0	0	0	0	0	0	0	0	1793	1944	0	0	0	0	0	11087	0	0	7336	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	456	6674	0	0	0	0	0	0	228	48022	0	0	74410	17398	11911	7033	0	0	0	1628	1464	0	0	0	0	0	0	0	2182	0	0	11031	0	Unclassified	0.0	2.2	0.2
10	C6 H5 O3 N1 S1	172.00629	172.0065	-0.023261093	172.00629	6289	6369	8177	7832	4843	9455	3691	35989	2657	1120	0	3724	0	7072	11500	28439	11461	6651	4335	0	0	5114	17762	23829	9701	0	4093	0	29963	41166	62016	19636	5533	24974	0	18227	4064	7001	5853	0	0	8870	0	0	323	4691	0	0	11740	30730	7816	6917	6423	378	1927	944	2244	40864	0	0	30801	0	2718	2140	2134	6984	6805	11936	0	0	0	34800	17484	18450	2020	32988	0	3633	10434	8481	7406	1894	0	0	2422	3837	24248	5551	6033	21515	5524	0	14826	927	0	0	6431	9984	1372	1097	921	6977	4381	0	0	27101	1470	0	5794	2771	Organosulfur	0.5	0.8333333	0.16666667
2	C5 H10 O2 N1 S1 Na1	172.04027	172.04056	0.09089154	172.04028	3110	2275	2710	3218	0	0	692	4319	0	311	0	1514	0	0	658	2674	0	0	0	0	0	0	0	1828	0	0	2264	0	514	14604	6786	4223	0	0	0	4432	0	419	0	0	0	0	0	0	0	0	0	0	6969	23269	2221	2722	754	0	0	0	520	1734	0	0	1703	0	0	0	0	0	704	958	0	0	0	1160	1402	8950	15648	9176	0	431	0	0	0	0	0	0	0	265	0	0	0	2232	0	0	0	0	0	0	2519	2036	0	0	0	2482	0	0	0	0	0	0	745	0	Peptide	0.4	2.0	0.2
8	C7 H9 O2 N1 S1	172.04268	172.04288	-0.054701682	172.04266	13537	15841	0	11651	16489	36939	17300	19397	13851	2566	0	3940	12843	40868	12444	29387	7422	41031	19410	1899	0	5355	8026	16990	39153	0	13667	2935	34212	17571	42591	40636	42002	37587	3170	22887	29197	10322	9881	0	0	16836	0	0	0	3092	0	0	38151	15630	15438	14250	29642	0	5479	1562	13562	39113	0	755	47027	0	6054	4572	10271	48939	28053	8686	0	3048	0	29743	31361	17575	8853	22370	0	4586	3160	0	5826	509	522	0	3572	43335	5638	26765	22705	4499	0	0	13529	0	0	0	13675	12350	5799	1120	2010	20330	5586	0	0	21615	3960	0	12194	10928	Peptide	0.2857143	1.2857143	0.14285715
10	C7 H9 O2 N1 S1	172.04268	172.04286	-0.03297371	172.04266	10738	8883	8744	9575	41551	27038	7124	19775	5788	2935	0	6168	2867	11568	11191	24942	6604	13944	12969	2562	1375	2238	2965	6996	11241	0	9011	3310	47656	23784	24767	38420	17560	38882	2903	35756	17034	10850	10017	0	0	17560	702	0	0	8362	0	0	31549	15618	8459	9401	23890	0	2954	925	6716	38635	0	0	27982	0	4289	3316	3925	11503	13616	9030	0	2816	0	30422	42919	33901	10613	33537	0	5653	1862	0	1385	898	1163	0	1649	5840	3973	10384	20661	3084	23285	7915	6298	0	1365	427	9472	12627	6925	806	979	13046	6982	0	0	14925	273234	0	5293	5256	Peptide	0.2857143	1.2857143	0.14285715
0	C5 H10 O4 N1 Na1	172.05803	172.05838	0.15378043	172.05806	3698	3795	3965	2270	10330	0	0	7120	3433	0	21812	1939	9642	4236	0	0	845	10506	9116	0	744	5688	2842	5868	2277	0	0	936	10777	2481	9486	5099	19540	15818	890	3268	6366	0	1939	0	0	2411	0	0	0	1643	0	0	8792	1883	3151	2786	3980	0	5911	649	0	14776	368	0	2709	0	0	4489	992	8341	10341	1024	0	0	0	16902	12709	3256	0	6016	0	2092	0	0	972	0	0	0	1424	0	1463	7705	10585	2099	17317	6470	7410	4580	0	0	3610	3107	1353	988	1355	3595	0	1929	0	9699	584	0	0	16733	Peptide	0.8	2.0	0.2
14	C11 H9 O1 N1	172.07568	172.07588	0.024682784	172.0757	4966	6043	5744	6362	3521	3141	8910	8838	0	0	3122	3914	0	1753	2668	17363	4831	1850	4122	2491	0	0	0	7688	1806	0	5999	0	3078	7703	8113	15331	5349	21298	0	10637	8477	2266	5053	2041	0	4556	0	1545	1069	2314	0	1742	7261	7941	5419	6491	1500	2016	0	0	0	14543	0	0	0	0	0	0	1699	3117	5478	11383	0	0	1331	7599	15089	12350	9497	11644	1948	3404	2360	0	3371	0	0	0	1082	0	3364	8045	10026	11154	0	2502	8008	0	1553	1446	5438	2407	1447	0	0	8384	4640	2433	0	15793	0	1412	5388	1902	Phytochemical	0.09090909	0.8181818	0.09090909
2	C11 H9 O1 N1	172.07568	172.07597	0.07284783	172.0757	2755	3287	3281	2730	1080	0	2070	8593	1010	2264	1655	1765	899	1225	1768	6617	2162	1063	1214	1195	1313	1420	1686	1701	2401	1396	3124	1641	15515	16194	10966	20527	4368	20272	1068	20844	4034	2013	1860	1636	1467	3914	1300	1326	1403	1373	1587	1431	12843	10144	2753	2506	1536	1201	669	772	2205	5190	1402	884	4500	1349	845	1186	0	599	2921	2196	1314	1658	1176	12326	16977	9174	12511	18317	1189	2107	1934	0	1025	995	1112	1410	1312	1277	1765	1357	2419	1485	3708	969	1967	880	2408	1292	3062	3710	1235	687	1071	3712	1586	1569	1066	3760	713	1259	1454	718	Phytochemical	0.09090909	0.8181818	0.09090909
0	C8 H13 O1 N1 S1	172.07906	172.07936	-0.2934263	172.07901	0	0	0	0	0	0	0	1630	0	0	0	0	0	0	0	6403	1545	0	0	0	0	1544	2752	20965	7109	0	0	0	0	0	0	0	0	0	0	0	0	1253	1845	0	0	0	0	0	0	2726	0	0	0	0	0	0	0	0	0	0	0	3754	0	0	2538	0	0	0	0	0	0	1348	0	0	0	0	0	0	2918	0	0	0	11411	0	18507	0	0	0	0	0	3090	0	0	3099	0	0	8629	0	0	0	0	0	0	0	0	0	0	0	0	6348	0	0	8330	0	Organosulfur	0.125	1.625	0.125
0	C6 H14 O3 N1 Na1	172.09442	172.09468	-0.01287081	172.0944	2275	1772	1708	1647	7589	0	0	2225	0	1176	2793	0	24528	5638	0	0	0	6321	3458	2742	3368	7067	0	0	0	0	0	2222	5811	0	0	20369	3991	0	7785	0	0	0	5298	2248	0	3050	14840	405	0	0	0	1716	2136	1990	1788	0	1965	1883	1464	0	0	0	662	0	0	0	4582	0	0	44915	9301	10542	1077	1847	0	0	0	6391	0	0	0	0	0	5671	3333	663	0	0	0	0	0	3211	2692	125406	1284	1647	0	1355	0	13736	0	0	991	915	11598	0	0	0	0	3011	1654	3695	0	21106	Peptide	0.5	2.3333333	0.16666667
8	C8 H13 O3 N1	172.09682	172.09705	-0.040228385	172.09682	92585	106366	88855	108309	164084	174054	77581	142790	105796	39591	41709	74122	149818	156737	131921	155389	138390	245556	173369	54261	32575	50847	114546	89772	121905	5189	85527	88253	194137	135486	153398	188281	165513	178171	49184	162682	183498	101415	167046	19381	14884	154548	38067	7416	7769	40317	22445	7315	159214	114745	91014	98339	160168	8434	118463	47654	73391	151192	25864	17562	129202	8920	133124	93364	110242	208393	181007	150151	5850	17117	9491	141448	167202	155012	108126	163115	6036	79328	61170	56026	46609	28741	24158	12940	59181	94239	151220	133523	157799	106438	106601	137150	121469	23204	22054	7880	95093	104230	78376	46393	53303	179571	87656	41369	13559	117513	91393	7371	89005	164293	Lipid	0.375	1.625	0.125
2	C8 H13 O3 N1	172.09682	172.09709	-0.028287616	172.09682	62264	63325	50807	62086	72785	47296	49226	75911	58266	26459	28476	49873	60857	51107	39445	72502	87856	101708	84388	31540	29995	47519	36643	67434	30422	4873	55210	14992	87119	69134	175732	86144	140791	95127	37325	72524	130553	38392	86549	21740	9775	76591	7974	6685	8094	30531	16010	7268	116863	52119	60858	64106	76570	7192	50897	36164	54182	92785	19906	23156	69323	6007	69630	48650	55381	85793	79201	90579	7850	13521	7765	96719	98549	68206	41640	83951	5449	48246	32521	7249	29876	17753	18437	11325	45885	63717	35609	110451	100217	60574	24947	23130	78093	7895	16754	11225	60941	61757	51641	42339	48832	119734	53324	36377	15958	74117	121641	7007	37363	82807	Lipid	0.375	1.625	0.125
0	C8 H13 O3 N1	172.09682	172.09714	0.021008432	172.09682	13160	17069	15293	14922	37073	41656	6575	36678	25405	7454	5068	9993	41242	36275	11954	9632	10837	52775	40348	7993	25069	25391	16413	20437	19197	4572	4795	6234	66714	13645	42240	27569	99246	32029	23821	27772	35108	11402	14184	12453	5010	28230	6299	7535	7859	14279	4205	5880	30227	14742	13224	17195	44652	6145	29422	11901	9791	67556	12498	5710	17165	4263	54651	24607	10685	33651	68441	12368	5560	12823	4014	27482	35809	24066	4258	31067	6093	16277	9081	5636	10919	8369	7737	4079	10231	10228	12467	25977	38588	11707	18559	16496	21115	4708	6758	7531	12045	16196	11630	11188	11633	21074	14872	12616	6032	33477	11574	5915	9052	82364	Lipid	0.375	1.625	0.125
0	C7 H13 O2 N3	172.10805	172.10834	-0.10911929	172.10803	11740	13425	13688	12255	32999	24331	2946	13221	27590	3142	2625	4722	29940	10768	7692	12771	17091	47217	32471	4296	5578	27703	13235	22726	10114	0	1357	4702	22740	6754	15115	13221	44023	12455	5886	13117	22579	8844	25153	1710	0	13269	0	0	0	4645	0	0	12365	5976	11975	10443	39244	0	22552	12952	12326	29639	1253	1234	22136	0	36242	19597	21007	31384	46664	18028	259	2756	0	8263	9734	8285	0	6810	0	6465	12685	11158	7126	1012	0	0	13952	18805	25345	29646	27060	57292	18544	14539	62656	2595	0	0	10447	13361	16222	17195	13838	18115	5649	3418	1014	45053	27957	0	10061	66794	Peptide	0.2857143	1.8571428	0.42857143
4	C12 H13 N1	172.11208	172.11235	0.005711245	172.11208	5113	5203	5334	5150	1507	2576	1815	9056	1704	7028	3359	2913	1578	1400	3695	21417	4445	2159	2281	5742	3145	1296	3992	21510	7218	3002	1952	6379	6291	3992	5116	4669	3678	4705	5971	5048	3404	3156	1678	3162	1201	1662	4149	1450	1765	3008	2719	1928	7603	7270	5697	4324	2423	1945	1060	1130	1711	15603	1489	1475	17787	1694	1131	1607	2094	1735	2263	8057	2003	3390	3059	4695	4247	3625	5588	4145	1560	2995	9198	0	7377	1899	1647	3158	1387	1745	8167	3534	3178	51121	3858	604	41999	2111	3705	2248	4150	5066	1622	1186	1637	4075	2251	1794	0	16484	1175	1866	4572	981	Phytochemical	0.0	1.0833334	0.083333336
6	C12 H13 N1	172.11208	172.11232	0.016554497	172.11208	5077	5124	3372	5962	2424	4389	1797	13317	1657	8498	18884	3619	741	3506	3983	18963	3456	3736	4442	7902	7321	882	3964	17532	6618	3510	2489	32581	8830	9086	7541	7987	11955	11061	4513	10333	15567	4164	2079	1601	1162	8715	2687	1693	1333	4241	4818	1268	8383	9858	6416	4903	4832	2688	1393	1508	5326	10794	965	1459	13353	0	745	1160	11148	2692	11538	8822	1806	2173	3404	8798	9913	7996	6425	9018	1431	3981	1862	0	1912	1291	892	3739	1394	3368	2239	9471	6869	15152	4961	1291	12319	996	2126	1293	5256	5355	1335	834	1289	14099	3550	3685	0	16665	1870	1783	2001	823	Phytochemical	0.0	1.0833334	0.083333336
2	C9 H17 N1 S1	172.11545	172.11569	-0.07509959	172.11543	4954	3678	4321	3704	0	0	0	1193	0	318	0	519	0	0	0	0	0	2474	0	0	998	8845	429	1803	1329	0	0	0	0	0	855	0	1084	447	0	0	4055	0	0	0	0	0	0	0	0	474	0	0	0	843	4228	4137	0	0	0	0	0	759	0	0	0	0	0	0	0	678	0	0	0	0	0	40907	12920	2578	0	371	0	1682	64815	7238	2024	0	0	0	0	0	19849	0	0	160905	54982	0	51903	3400	0	0	3973	4282	0	0	0	0	1714	0	227	5549	0	0	451	0	Organosulfur	0.0	1.8888888	0.11111111
6	C9 H17 O2 N1	172.13321	172.13345	0.026874809	172.13321	4052	5841	3953	4691	5759	4444	2026	2925	2271	2755	2529	1629	3300	16840	4646	9399	2969	3770	3248	1684	1839	4427	6668	10151	6558	1205	1866	3044	2145	3272	2877	3862	5801	3680	2365	2320	5735	3766	4169	0	1809	5050	1422	914	841	3150	1949	1134	3738	1917	4696	3104	3062	1021	1047	9340	4210	12628	0	1651	9331	0	4349	1061	26639	5565	16191	6575	0	2639	2576	2976	3493	3490	3163	3410	723	1571	6239	0	10481	2674	1262	0	2242	1808	11113	3532	3559	11206	4766	3712	15615	935	1277	577	3541	2954	5206	3197	2862	5036	1894	0	0	10263	3635	884	8979	4431	Lipid	0.22222222	1.8888888	0.11111111
8	C9 H17 O2 N1	172.13321	172.13342	-0.028979503	172.1332	6545	7506	7041	8894	6222	4548	13259	8044	1582	3587	3536	4087	2964	4791	4930	20663	49738	2343	3184	4062	3206	3728	4889	5056	7187	2313	17691	6335	14215	9003	9340	15505	10111	15102	2999	12069	9627	5545	61239	3798	0	7642	1777	1104	1298	4974	2743	2030	11444	8281	5897	6980	5340	2897	1468	2911	4251	15844	1727	3840	15807	974	2432	1433	4187	5812	3993	52699	0	3603	2501	10602	13591	15722	27461	13597	1223	4611	3730	5862	3923	5797	4532	2384	3155	0	9313	5105	5053	20048	23574	7637	5853	3237	4241	1368	6816	7947	3088	3510	3382	9425	5460	3709	0	7427	4458	1044	7655	3656	Lipid	0.22222222	1.8888888	0.11111111
14	C9 H17 O2 N1	172.13321	172.13336	-0.021983227	172.1332	10445	11995	7360	11258	3044	2110	43705	6807	0	0	1901	5675	1610	2535	3234	3465	10541	2549	0	0	0	0	2821	3870	3329	0	46734	0	10357	92127	22973	27421	17121	20139	0	32102	42857	3339	14719	1139	0	3430	3452	2665	1899	0	0	2624	12168	21299	8949	10280	1821	4883	0	0	2736	8632	0	0	0	0	1633	0	2856	5929	1546	15303	0	0	0	34220	157927	86273	33985	105699	3720	4093	2696	0	3901	2147	1270	1212	0	2307	5135	3227	1198	8947	7003	2348	3563	0	2396	2356	13340	7033	2613	1049	1932	26793	6091	0	0	8100	2250	2005	4886	3816	Lipid	0.22222222	1.8888888	0.11111111
4	C9 H17 O2 N1	172.13321	172.13348	-0.020597015	172.13321	14468	20202	16415	17420	24151	22602	6672	7906	11687	6986	5981	7160	23457	246239	6334	19950	34224	13730	21214	5538	9485	18502	11092	25724	4949	516	10158	6620	5447	3828	8145	7730	24509	9039	14513	5907	17091	6728	43646	2896	4122	46413	4416	1050	1170	6129	6426	4689	10458	5268	15072	12794	12588	967	8377	80414	33848	30334	2190	8549	19950	2282	22134	8363	208570	26679	124637	37488	5285	9079	12752	4846	5251	3003	11027	5151	1032	5484	8521	0	9582	5012	3562	1334	11728	6484	8872	17445	15290	47052	5476	5549	40259	2744	2315	1852	15682	16107	40113	28499	24420	18813	7296	3870	3753	40642	16320	1511	5985	23042	Lipid	0.22222222	1.8888888	0.11111111
2	C9 H17 O2 N1	172.13321	172.13348	-0.038986616	172.1332	92086	104894	76785	88095	192340	71520	35788	44703	116087	38354	63710	27163	215673	54639	21887	42394	121361	94228	85123	48787	33594	63600	18847	39416	32097	2885	58313	19489	61995	63609	84047	63981	88418	40769	39882	62408	97625	33153	143433	23167	36411	75097	423994	13574	22672	17080	58966	22695	67855	47241	79760	84590	116760	7429	65507	47760	67856	135583	6973	40968	85585	7598	98063	49427	70253	338655	125817	481474	13311	8956	55973	34434	64649	44820	35675	69114	17648	23235	34910	11673	22954	11355	14173	10986	43984	59498	58263	62065	61423	9738336	92067	50172	59884	24182	14265	29550	99977	74417	118874	75333	141605	85206	18978	28901	15249	69697	149444	27647	35709	192425	Lipid	0.22222222	1.8888888	0.11111111
0	C8 H17 O1 N3	172.14444	172.1447	-0.2389093	172.1444	11786	11308	11403	10743	5171	0	5069	8088	3690	3054	2687	3687	8265	12035	6097	29307	9512	17962	17761	1566	2987	45271	8214	15100	18216	0	3918	2037	8760	1870	7413	4800	15852	8584	3048	4957	6490	6365	9694	0	1379	6018	0	0	0	4439	0	0	7384	3227	12127	8072	8859	0	3803	3325	3500	38164	1461	1850	29163	0	5200	6099	7436	5740	14392	11896	0	2570	0	5219	6947	3497	0	5191	0	3929	22939	5848	11260	860	2512	0	3660	7275	24080	10251	14793	113159	8573	9402	126970	2462	1933	0	9981	11155	2326	1985	1922	7060	2033	3438	0	34312	1670	0	25672	7897	Peptide	0.125	2.125	0.375
18	C10 H21 O1 N1	172.16959	172.16977	-0.02699072	172.16959	15033	12112	15643	13403	37481	6127	0	0	0	0	1517	1752	22118	7221	0	0	82928	12579	2411	3112	31480	41080	0	0	0	0	1674	12806	0	3223	0	0	107681	0	44470	0	57140	2259	55889	0	70940	12009	2436	2618	2654	1159	0	2158	0	0	8888	12298	35080	4818	0	1343	16972	2295	1232	76262	0	1169	27012	1613	14252	108474	27915	109334	1153	0	60009	1833	0	0	0	0	3099	1389	0	2305	0	3408	1245	1600	2918	7955	0	46429	3802	34200	0	40938	56359	0	0	2546	15409	11812	12811	0	3621	55336	0	0	0	0	9775	2640	0	10960	Lipid	0.1	2.1	0.1
2	C10 H21 O1 N1	172.16959	172.16988	0.049921393	172.1696	10866	11831	10411	12312	51469	13931	8669	7339	3573	12221	5680	4534	4992	12964	6868	10759	12331	10573	9591	9908	8021	7419	5803	6755	7634	2201	8592	6195	9401	6064	6156	10599	13196	12145	11739	9684	13251	5005	16876	6533	5175	17785	1311	1124	1386	4533	4697	887	11270	4525	8937	11168	45465	1493	7203	2786	8578	10596	1222	1909	8994	3296	4040	3180	3778	13945	19101	19908	1985	3261	2596	4909	9056	6313	11337	8992	1139	4519	10821	10616	4350	9560	2164	4289	3383	4818	67922	7323	10262	40379	136215	80087	8052	5621	9004	1494	11700	9313	11537	2092	3144	13681	4309	7847	12675	6145	40714	1358	6006	4414	Lipid	0.1	2.1	0.1
2	C5 H9 O3 S1 Na1	173.02429	173.0246	0.47163716	173.02437	0	0	0	0	0	0	2046	0	0	410	7224	324	0	0	854	321	0	0	0	0	0	0	0	0	0	0	3058	60093	0	0	0	0	0	0	0	0	0	741	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	611	0	0	0	0	0	0	0	0	0	0	0	0	0	635	0	0	0	2229	414	0	0	340	8019	395	0	0	0	0	0	729	463	0	0	1491	1436	0	6339	562	0	0	0	0	0	0	0	926	0	0	0	0	0	610	0	Organosulfur	0.6	1.8	0.0
4	C6 H8 O2 N2 S1	173.03792	173.03818	-0.054620005	173.03792	10228	10385	10052	9606	6040	18588	7072	12636	2485	0	2623	11070	3852	8271	7009	19076	38233	7517	7837	0	0	4185	8862	27175	4934	0	10541	0	10157	10741	24215	15731	22667	20570	1309	10120	20750	9931	55061	0	0	6207	0	0	0	2046	0	0	27557	8926	10063	7210	6170	0	1251	1468	5821	17844	0	0	19214	0	2100	1971	7730	7545	6968	38974	0	0	0	12882	6227	4382	26545	6543	0	6386	4474	0	4691	1032	0	0	2797	7890	3406	25340	8478	13074	0	0	9955	0	0	0	10023	9124	3367	1292	1874	19092	15330	0	0	24716	3712	0	6414	3522	Peptide	0.33333334	1.3333334	0.33333334
0	C6 H5 O1 N4 Na1	173.04338	173.04364	-0.51463884	173.04329	0	0	0	6159	0	0	0	3341	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6345	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18257	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13635	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1711	3747	0	0	0	21777	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.16666667	0.8333333	0.6666667
6	C7 H8 O5	173.04445	173.04471	0.006892637	173.04445	28991	33143	21903	33858	58894	51511	12768	25901	51606	17463	13836	16188	116451	55632	21348	21120	13257	77035	69896	19967	18765	20935	24285	28708	15019	5793	9986	10726	27921	21417	26181	25284	32892	41354	38177	26447	28493	17986	13852	0	6891	28825	14270	9126	16306	18804	8998	11364	25762	17918	29275	28637	44706	19983	39204	40621	22297	31924	6753	4800	28552	4766	99055	27936	19124	105832	37163	13995	6670	9592	9520	43526	29044	23724	6898	23138	10209	14480	21010	10327	15883	13123	6160	6685	34161	27295	26250	35113	47282	28482	52197	39004	28040	12806	14890	14405	25014	32870	25632	33147	41957	27379	19519	11511	7423	26481	29021	11999	12872	88140	Phytochemical	0.71428573	1.1428572	0.0
2	C7 H8 O5	173.04445	173.0447	-0.17932546	173.04442	16973	19041	13444	20771	45178	38858	9926	17467	24346	5844	6300	12011	88446	41647	13728	10042	9960	44556	38559	7514	7864	14173	16040	17009	11553	5077	7471	4156	21448	13090	18394	17821	24217	46802	12453	16441	20440	9665	8085	8731	5566	16996	7030	6949	12065	11742	5672	10267	17028	10065	12569	16236	22194	8670	21376	24747	11045	20495	5845	5114	15030	4346	51555	17145	9574	65036	21561	9981	8422	5405	6398	64466	34282	18915	5346	21398	10047	11430	12174	3632	12866	10976	5958	5606	23322	12833	10944	35661	24375	7227	29826	15416	13944	6595	6576	13711	15337	20069	20255	26701	30874	17976	16783	6800	9540	13605	15976	8178	8687	54427	Phytochemical	0.71428573	1.1428572	0.0
14	C8 H12 O2 S1	173.06308	173.0632	0.023817247	173.06308	0	0	0	0	0	1974	0	0	0	0	0	0	1651	0	0	0	0	0	0	0	0	0	0	0	0	0	24451	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1563	1537	0	4283	0	0	0	0	0	0	0	0	0	0	0	1144	0	0	0	0	0	0	0	Organosulfur	0.25	1.5	0.0
12	C8 H12 O2 S1	173.06308	173.06332	0.21458419	173.06311	2608	0	5003	1537	1174	3053	2878	1178	0	0	0	3678	1552	834	0	2558	0	2088	0	0	0	0	1481	0	0	0	561117	0	1419	1687	3387	1366	0	5992	0	1420	0	952	0	0	0	0	0	0	0	0	0	0	2114	1453	0	1733	1004	0	0	0	0	2827	0	0	0	0	0	0	0	1620	1527	0	0	0	0	5697	3996	0	1485	0	0	4897	0	0	0	0	0	0	0	0	0	0	0	0	5312	0	0	0	0	0	1480	0	0	0	0	0	38679	0	0	0	0	0	0	0	Organosulfur	0.25	1.5	0.0
2	C10 H8 O1 N2	173.07094	173.07123	0.058001872	173.07095	5876	6196	4993	5150	3326	0	12690	9906	2653	4458	6409	6483	1539	7021	8752	10650	1099	5700	6224	3467	2646	4124	3511	11500	6536	0	8022	24734	15164	11949	15988	18253	9366	21488	2989	15679	7635	2851	1073	1153	710	4283	0	0	0	2849	2126	0	15169	0	6553	5530	0	333	2128	0	4289	14762	0	366	11704	357	2581	2568	0	4782	10100	1736	0	2209	0	10378	22759	24382	18417	16378	0	3884	1984	0	4712	0	2145	820	551	2593	933	8419	8677	2314	1758	1095	11521	650	3116	416	6397	5984	615	476	246	6136	7227	2344	602	7932	263	0	13735	2608	Unclassified	0.1	0.8	0.2
10	C8 H12 O4	173.08084	173.08107	0.048736148	173.08084	78124	68014	69384	63970	97181	102099	95544	98564	69918	31031	54782	55802	113055	542901	94157	82396	71556	103799	112463	27460	16611	30365	83129	58688	70041	26058	81094	142906	127715	111904	96126	130881	111230	120955	29831	119703	96041	85090	83991	14077	13526	96782	69154	30250	32163	26921	15092	40851	100772	76680	77507	72913	83520	37255	80718	53622	51050	119166	22271	14865	116283	11338	102784	55375	290045	153990	180657	76119	20549	25567	26812	124987	118066	148747	72305	112790	40479	72164	48771	77640	50202	33343	95608	65372	68561	75389	81090	70151	88809	43853	63525	51546	59396	32696	14779	30425	70295	80490	65778	52827	80066	101045	63944	21605	19320	71468	68078	35923	54688	83823	Lipid	0.5	1.5	0.0
14	C7 H12 O3 N2	173.09207	173.09218	0.012245253	173.09207	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	478	447	0	0	686	0	0	0	0	0	410	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	544	0	0	0	0	0	0	0	0	0	0	0	0	0	34335	3372	0	0	0	650	0	0	0	0	0	0	0	0	0	0	0	687	0	0	Peptide	0.42857143	1.7142857	0.2857143
8	C7 H12 O3 N2	173.09207	173.0923	0.10136991	173.09209	1988	3177	3246	2718	2733	1845	0	945	2778	0	2752	1365	1660	0	1327	2214	2655	1786	1280	0	0	2262	1277	989	1364	0	1655	13421	1676	1633	2365	1999	1912	2616	0	866	2416	1543	3491	0	0	2238	551	527	663	0	0	665	1024	1971	2365	4708	1945	702	6046	920	907	2356	0	0	0	0	0	4293	0	2054	1429	2421	0	0	0	953	1182	1666	1291	981	319	714	0	64577	985	910	0	0	966	0	1889	2355	1683	1678	138754	34254	2675	8490	2172	657	2687	2069	2055	2369	0	1139	2075	0	0	1465	2726	587	0	2647	Peptide	0.42857143	1.7142857	0.2857143
10	C7 H12 O3 N2	173.09207	173.09222	0.06293594	173.09209	1489	1290	1591	1167	0	0	0	1068	0	0	0	0	0	0	0	1523	1172	0	0	0	0	0	861	0	929	0	0	7090	0	0	1147	0	1239	0	0	0	0	754	1555	0	0	0	571	959	826	0	0	819	0	0	1135	1882	853	508	0	0	0	1458	0	0	0	0	0	0	0	0	0	1463	0	0	0	0	0	0	0	0	909	0	0	27582	802	737	0	0	0	626	0	1042	0	2055	83763	14909	1668	3484	0	0	1194	1513	0	0	0	0	0	0	0	0	0	0	1164	0	Peptide	0.42857143	1.7142857	0.2857143
6	C7 H12 O3 N2	173.09207	173.09232	0.043893754	173.09207	29145	32407	26282	32077	12119	69049	10633	21069	11719	4732	13437	13861	9174	15624	12630	28684	44421	95211	27452	1561	1829	9517	12670	16300	7947	0	13752	49029	18681	22627	37774	32529	38149	35137	3735	22834	41605	14144	51083	0	614	217899	0	733	712	3103	0	514	28055	17755	34195	29423	25454	974	8128	4507	96565	35451	1072	1451	25703	0	11045	9074	42673	33400	131488	55605	0	2127	0	30017	34996	31037	17064	31221	462	7569	7269	230463	4793	1863	1179	0	6225	30545	14146	27259	87735	41191	404329	109617	17843	29318	3616	705	31602	23601	20193	3011	8972	28173	10124	2038	0	35828	8141	511	8298	19959	Peptide	0.42857143	1.7142857	0.2857143
2	C7 H12 O3 N2	173.09207	173.09233	-0.057726283	173.09206	15765	17163	11175	15232	13882	25109	4994	7324	13388	1946	12747	7579	18602	9274	7121	7216	10672	22274	15687	1726	2007	7589	6063	6413	3848	370	3678	66761	9091	6593	8430	10889	13902	10703	3412	9083	13571	6085	11200	1016	891	11169	796	650	895	2549	1165	994	12250	5181	12104	17852	15404	1021	11900	8659	10102	10250	1862	2251	6675	681	19827	9249	10981	19074	13423	12757	0	949	605	8634	11909	6501	4459	7822	668	5304	5039	676043	4699	1639	1589	739	8713	10347	5857	21982	16826	13135	289924	113139	13450	71555	1327	1225	14050	15835	10593	8252	8802	9681	7675	2940	1665	11332	9352	1111	6030	25288	Peptide	0.42857143	1.7142857	0.2857143
4	C7 H12 O3 N2	173.09207	173.09235	0.044447463	173.09207	15649	19060	16697	18237	10780	12618	10095	22222	10995	2512	8903	14261	11348	7809	14035	26050	43622	20742	14167	3860	3109	7294	11476	16715	8824	337	9360	22677	12867	18454	21658	15139	17587	21587	5290	20547	19581	12710	52029	1166	1215	13565	1174	802	886	3014	2155	765	16549	21805	18277	14809	16439	714	9789	6708	13299	23476	3150	4194	19957	0	11450	9148	13350	15785	9307	40196	1389	0	0	17221	13525	19966	16117	17290	506	10390	7734	276253	10021	2565	3434	932	8802	13671	11030	26859	16999	22489	256926	66762	21080	19026	4101	1216	17087	17348	10515	7051	9713	19774	12361	4617	0	19110	12101	783	10536	16824	Peptide	0.42857143	1.7142857	0.2857143
12	C7 H12 O3 N2	173.09207	173.09225	0.25266847	173.09212	0	1489	0	0	0	0	0	1176	0	0	0	0	0	0	1125	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	310	1050	690	0	0	439	0	0	0	0	0	594	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	403	0	0	20377	0	0	0	0	1544	0	0	0	0	0	31628	5454	0	0	0	526	0	0	0	0	0	0	0	0	0	0	0	838	0	0	Peptide	0.42857143	1.7142857	0.2857143
12	C12 H12 O1	173.09608	173.09633	0.040779307	173.0961	98932	135085	104072	114925	89361	65782	105281	117320	85934	80153	72537	64766	77249	67062	75980	137784	136652	108195	127072	114696	108222	113245	78234	89594	75131	85461	123996	47512	113573	110573	90158	115822	142754	97086	105395	97135	114601	88321	145121	85377	94944	83080	10003	8569	8964	73960	78295	13131	124116	88023	120565	131149	92181	7846	112903	74837	74514	130591	54136	75161	104214	53967	96463	86268	57857	88610	79667	127987	67426	100771	117757	70801	92759	102174	139612	128612	6206	73751	102891	55731	96329	82394	111360	89971	94917	69686	122012	67478	96691	173412	111383	115037	124024	65805	102345	12328	116840	113170	93225	115104	113465	119138	80983	87787	38367	93600	84802	9128	77771	96585	Phytochemical	0.083333336	1.0	0.0
8	C12 H12 O1	173.09608	173.09634	0.021079693	173.0961	46417	49379	30393	43770	35963	25989	38024	42935	40210	25973	26177	33145	34920	22670	38173	39755	53432	36495	43035	41602	34539	46570	36373	33687	27524	28546	37912	24357	35863	43678	35805	44827	43023	32954	41805	35506	39024	33597	57718	32248	36035	32023	8053	7316	9860	28000	42713	10872	44774	40949	37771	46631	34829	7232	53399	36965	32103	43589	30160	38229	38223	20773	43128	37670	21626	34438	29077	53352	34370	32843	45506	27020	36694	33812	41625	51827	7486	32609	49291	18834	45557	39257	44062	31909	44877	27834	50822	29913	33176	70355	31039	34590	52919	25854	31553	9808	39777	39822	41512	67226	63070	43172	38521	40785	20190	33939	34428	7710	34222	33961	Phytochemical	0.083333336	1.0	0.0
22	C12 H12 O1	173.09608	173.0963	0.04740958	173.0961	102980	99738	83761	93752	108853	89954	102299	128526	79112	71205	60439	84201	66503	88042	110233	170478	147351	105673	85869	83758	85231	104994	99004	157604	119409	74228	96660	66416	123828	115968	104466	125620	150761	124995	80773	121406	142170	96680	135286	63792	63225	111248	26704	25126	16286	66058	62406	22491	139251	112220	102075	91734	81070	16678	84968	70712	75843	167145	63024	61573	158238	42231	72208	74136	60099	91480	87904	142236	66044	83038	86837	98132	87887	109199	90419	137195	14305	80949	108787	54900	85140	58935	75456	56189	87295	69426	119087	97468	102416	179022	120622	109739	159160	44970	82560	25280	85672	99624	87131	87138	66058	145040	92493	91985	49046	136465	55415	23591	115296	84966	Phytochemical	0.083333336	1.0	0.0
4	C11 H12 N2	173.10733	173.1076	0.06336092	173.10733	3612	3969	2956	2834	437	0	1508	2036	0	22043	21620	1203	0	760	874	3285	3455	449	1373	23276	21584	742	1362	3935	2001	1203	1795	56062	1892	1324	1570	4361	4428	2950	14954	1512	3783	1976	3291	3333	400	668	0	0	0	2206	4888	0	3498	2055	3688	3644	891	0	332	0	451	4553	0	0	2911	0	0	348	0	937	1204	6087	0	1312	0	2298	2830	1158	5813	3049	0	1397	2321	5188	2226	0	0	2849	0	301	2422	2279	1430	11812	4587	0	7183	2581	5385	0	3123	3080	0	0	0	4018	1546	0	0	4601	0	0	1997	0	Unclassified	0.0	1.0909091	0.18181819
8	C9 H16 O3	173.11722	173.11748	0.09144208	173.11723	3203	2571	4085	5612	2747	3902	17759	3964	1047	849	2783	2398	1982	23451	3638	3506	4472	1569	1964	1682	1430	1815	2422	1787	3028	9063	15591	3979	3983	6132	3316	5784	4619	3779	0	4349	3077	3243	7103	0	1982	4912	9433	2115	1944	0	2005	2163	4711	3900	2215	3013	2616	3098	1634	5360	4473	1941	1510	3379	7619	1004	3843	0	22842	4810	12047	4580	6459	0	2410	3216	5152	6531	3773	3479	1942	2955	1484	5550	1888	4363	18110	110469	4461	0	4614	1942	2002	3395	0	0	0	0	0	1584	4065	3844	5285	3008	3904	3599	2043	2291	0	1790	1820	1742	2251	2841	Lipid	0.33333334	1.7777778	0.0
6	C9 H16 O3	173.11722	173.11745	0.029057315	173.11723	1746	2108	2282	2112	785	1298	4879	3267	1666	0	2429	1430	1397	5902	2753	1960	3596	1312	1494	1342	0	1117	2087	1762	2990	3916	5777	2760	4516	3943	2482	4022	1951	3102	0	4967	1936	1993	3702	0	0	4578	879	496	497	0	0	539	4887	4306	1789	2822	1932	956	1295	1292	1256	3765	0	662	2640	0	1847	0	2925	1547	2960	4016	0	0	0	1990	2776	9110	3608	2741	484	1790	1153	5564	1998	1344	8400	44368	1632	2546	2761	1410	1893	3522	0	1065	1318	1636	0	490	2307	3003	813	1684	2188	2457	1520	0	0	1762	622	466	1522	1598	Lipid	0.33333334	1.7777778	0.0
8	C8 H16 O2 N2	173.12845	173.12868	0.1415876	173.12848	2140	4748	2993	2177	712	2708	775	0	0	0	0	0	1212	957	642	1186	4254	0	2526	0	0	0	0	0	0	0	0	25109	1290	0	0	1084	941	812	0	1077	0	0	2966	0	0	1197	0	0	0	0	0	0	1501	0	3517	4447	1206	0	0	856	802	1636	0	0	0	0	0	0	0	4992	4123	5583	0	0	0	0	0	0	1415	949	0	0	1110	164258	0	0	0	0	0	0	1013	7940	3792	1699	211733	55434	1745	13515	0	0	4423	2750	0	716	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	2.0	0.25
6	C8 H16 O2 N2	173.12845	173.12868	0.12863739	173.12848	2854	4054	2679	3294	4637	3901	589	0	2073	0	1776	0	639	2186	0	1252	1101	1191	2354	0	0	1026	542	0	0	0	866	25735	862	0	662	0	1532	744	0	0	942	0	1240	0	0	858	0	0	0	0	0	0	0	0	3760	3127	1853	0	2467	1022	756	761	0	0	942	0	1451	0	1427	2213	805	2623	0	0	0	1052	0	868	0	747	0	512	739	214474	498	402	0	0	665	3641	1158	0	703	2130	170931	33997	1353	14247	1746	0	2338	3079	1826	898	1756	0	656	0	0	947	3855	0	545	1750	Peptide	0.25	2.0	0.25
10	C8 H16 O2 N2	173.12845	173.12854	0.03195407	173.12846	1259	994	0	1090	0	1401	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13630	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1553	1978	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	89805	0	0	0	0	0	0	0	0	0	1357	157070	31964	0	5511	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	2.0	0.25
4	C8 H16 O2 N2	173.12845	173.12874	0.049358126	173.12846	5836	5844	5627	5337	5463	7135	963	2217	3885	8997	3454	886	5340	8231	0	3804	3959	2979	3311	0	964	1351	2894	4721	1298	0	907	27211	26934	3674	3106	3887	3170	3619	3509	3609	1455	1342	4458	0	421	10968	1349	0	0	1739	4704	0	7391	5363	5953	3852	3367	5176	1034	4125	5771	4314	0	18666	3640	0	6956	6660	6319	16305	4586	3437	0	0	0	2313	5887	5064	3691	8109	0	575	1841	101736	1154	646	695	0	2732	5748	7023	5251	4849	5017	89116	23332	6413	10581	12851	0	4034	5302	7162	1846	4282	1773	1855	0	0	3694	3701	0	1390	17236	Peptide	0.25	2.0	0.25
2	C8 H16 O2 N2	173.12845	173.12874	0.014947908	173.12846	8504	9030	7291	7789	4423	21239	1404	2749	1939	1950	10348	1623	3899	4094	2120	1538	2851	6267	4329	632	397	3018	1824	2235	1182	0	0	72130	2399	1097	2832	2573	7169	3253	1482	2380	3730	1955	4083	0	0	5094	0	0	0	572	248	0	2592	1272	10724	9190	2799	0	1188	1281	2321	5179	0	0	1520	0	3802	1485	0	4507	4308	3679	0	403	0	2638	2165	1328	849	1412	0	1799	3134	310296	1739	0	0	0	2164	2412	4330	3679	7282	7648	306579	160983	6231	55822	0	0	8800	9057	3038	2871	2556	2338	2081	714	223	4097	2005	0	1811	4098	Peptide	0.25	2.0	0.25
0	C8 H16 O2 N2	173.12845	173.12874	-0.13303635	173.12843	5902	8811	5151	5235	15029	24152	1874	9472	8755	2061	2882	2560	15530	11597	3882	2348	7824	21179	14309	1752	5140	11812	6206	5323	10961	0	0	73618	19959	2534	11235	5665	31233	8759	5224	4215	6134	4562	13934	2109	0	12424	0	0	0	3268	0	0	5884	2058	4563	4618	17720	0	8291	3999	3464	14995	2539	1220	2605	0	19004	5544	7590	11347	18942	8339	0	1920	0	5500	8182	3770	0	4806	0	4580	6557	168723	4286	663	1446	0	5270	4915	10433	13503	12807	11133	163283	79610	12560	23107	0	0	4851	5076	6863	4310	3741	5110	3007	2551	0	14549	8882	0	5556	23972	Peptide	0.25	2.0	0.25
28	C13 H16	173.13248	173.13269	0.046431106	173.13249	24163	21399	17064	20140	24304	13567	33581	30899	20281	12455	15915	17625	15214	21241	18768	35088	30422	16667	27935	16590	18063	25736	21571	21523	27117	21537	33040	23022	26696	30218	23213	30093	31942	19933	15739	36870	25570	25695	30974	13503	14591	25110	5980	3741	4515	14552	11343	5017	27044	25915	22389	23581	19063	5244	17325	17142	14878	38170	13014	14434	31975	9563	13573	13035	16266	22561	23176	30370	20849	15606	19148	15707	18394	30258	22317	28614	5186	19465	31686	28711	18244	14436	16850	17702	27394	17343	47761	17740	20254	59091	36548	32349	50981	17581	14985	5517	20417	23548	26427	28267	34943	36466	21408	24450	10971	28205	25810	5078	22825	12838	Phytochemical	0.0	1.2307693	0.0
22	C13 H16	173.13248	173.13268	0.01462239	173.13248	176051	213830	149031	178352	191226	134713	243774	211055	146362	134616	102530	147661	125587	189860	193908	289693	326995	180379	165868	160929	148984	191890	163101	190980	205294	99224	259877	117317	203040	195450	168229	220350	232639	190772	138800	222090	228585	176026	308508	103925	109612	143946	9346	6801	5472	112098	126506	6948	202184	202641	181197	193191	160917	7335	140860	134036	127642	323964	108621	143463	259711	64384	143303	117308	119870	167734	162303	329718	68568	105870	106707	155549	141566	203715	220846	232055	6581	125403	228451	155854	169150	115438	186908	124142	190904	164743	287727	161419	165449	633650	324506	268027	342532	125237	170831	9508	156625	194942	153737	217923	207059	269389	161051	164159	97577	223842	153765	6549	230414	137772	Phytochemical	0.0	1.2307693	0.0
12	C13 H16	173.13248	173.1327	0.051959198	173.13249	38522	50903	31611	45300	26035	14815	46281	36089	22234	16073	20756	22329	19163	21567	27164	55154	49662	18376	27906	30024	20634	43400	25547	37520	29255	26124	54784	13039	26319	31911	29696	38095	32517	25569	21981	28487	30173	29890	53975	21155	22459	21852	2934	2768	2649	20640	28418	4237	36076	33766	35015	49120	25738	2533	25005	20943	19583	53436	19983	37943	36280	11019	25382	15897	19041	23425	23092	54255	20245	23952	29738	25540	31671	31718	49462	41327	1907	20281	35506	25441	34005	26036	39624	31816	27464	24044	44015	15839	20970	114424	43799	49040	63294	18010	36918	3455	35741	35537	19439	41942	42360	36729	25298	30422	0	31691	28073	2753	38051	17515	Phytochemical	0.0	1.2307693	0.0
16	C13 H16	173.13248	173.13269	0.040106505	173.13248	85791	108933	86035	89118	87660	52618	118956	100218	58888	51892	56412	65925	69878	82930	75159	139220	169707	69774	92058	80129	76195	98534	72477	97399	81113	78882	129430	50966	78832	91981	85647	105643	113684	74655	63590	105788	87260	69833	173883	52661	81105	69248	7547	2719	2872	51495	79055	4698	107752	97771	100151	101445	78448	3801	54882	66861	61901	146208	52017	90709	103039	37770	77245	51932	57305	73747	83382	157821	59949	68289	100204	58576	78384	100769	142743	119099	2196	53697	107775	84431	70589	66275	123225	123491	95859	60051	138260	76545	74590	385288	122142	104737	165263	63233	88967	5905	92231	86547	65620	107518	140744	103793	61296	81017	33679	103527	82848	2940	102077	61596	Phytochemical	0.0	1.2307693	0.0
24	C13 H16	173.13248	173.13268	0.025723713	173.13248	143390	159423	138270	142254	155957	101983	193147	174863	96805	93169	81655	113195	113764	140566	166431	267925	265433	136820	173400	122641	112150	147076	125322	172761	162600	94912	187617	111431	161007	165920	132072	184741	175674	143591	123996	201280	179127	145078	275351	84627	98131	136954	9644	4037	5949	90659	91935	6785	185621	162948	152920	148389	127481	6908	112386	95403	94269	262303	85213	106243	212167	55289	113278	91819	88860	132962	134003	259985	64604	76854	95536	125772	129275	178147	191113	190999	5128	116112	169167	148008	127528	89909	124644	99424	126731	101880	237446	118554	139273	462456	249410	206125	285191	99966	133970	7455	139058	151523	124015	120273	128727	209835	118977	141998	68912	189886	99859	5775	177965	103251	Phytochemical	0.0	1.2307693	0.0
10	C13 H16	173.13248	173.13272	0.073062554	173.13249	19809	14357	12206	13009	12625	7934	17461	21272	11453	7731	9153	11761	8924	10695	12125	22149	19223	7911	11974	14776	12435	22563	11134	18062	14925	12384	18487	6943	13668	15246	13627	14824	19912	9797	11853	12931	15383	13252	20142	11274	11055	11150	3237	2915	2417	9728	14876	4777	12690	15502	14367	15918	9871	2565	8729	13182	11382	25106	13218	13321	20295	6483	8907	7849	8269	8363	9555	23323	10777	12587	15839	10775	13726	14628	18418	19495	2207	8887	18481	10866	17402	16344	21412	11934	15375	10891	20411	7587	10089	51454	13011	11887	31728	12590	13130	3460	16417	18992	11291	19554	23949	15678	14528	15071	0	13748	14332	3249	12816	9210	Phytochemical	0.0	1.2307693	0.0
20	C13 H16	173.13248	173.13268	0.021248806	173.13248	165064	205975	173014	148360	188004	121697	235674	190136	123073	116193	94457	133895	141330	184780	153498	246935	288656	143677	190617	153769	159308	188127	124379	158462	145562	111776	252522	93106	172610	163643	123362	178667	202452	153269	106880	173838	186656	139463	280575	108965	125843	129947	20437	5225	4618	103604	132085	8357	183720	144288	172696	166248	147234	11700	128597	134912	128403	271374	108082	151332	205402	56401	148982	123187	108729	159186	138506	295395	74384	102516	112193	129240	154562	185410	266996	204870	4544	112816	202594	178492	136287	83019	195851	142251	194200	138041	247496	145492	148804	545591	284628	212610	322641	122974	141887	8639	168795	180834	122851	255963	289935	225356	143130	161018	93990	186642	147710	5488	173619	133740	Phytochemical	0.0	1.2307693	0.0
18	C13 H16	173.13248	173.13269	0.02464803	173.13248	144117	166458	124995	118612	142901	87247	187585	139858	78243	95462	91725	98984	108757	130729	116996	201634	230442	117109	162046	116432	112837	146013	104198	137326	110713	101980	191658	82445	129430	131825	117791	157624	169839	123474	81974	144043	146784	111225	251693	86853	113815	109690	9850	3283	3582	77115	95877	5445	169984	119194	141092	141350	108299	5610	107660	101854	95511	216080	73710	120305	159875	57444	103346	82283	88706	122612	133269	254872	72165	91319	112731	96309	103704	167582	199779	164498	3887	74651	165370	141413	115475	79126	137548	140659	130489	107370	184463	115468	128381	451066	198518	179361	238697	85251	132845	6096	142056	127957	98566	165863	181002	162431	93529	122941	53913	139743	96717	3776	144128	81698	Phytochemical	0.0	1.2307693	0.0
8	C13 H16	173.13248	173.13274	0.070593886	173.13249	6905	7918	4466	8276	6103	4012	7873	8152	5820	3914	3073	5857	6147	6020	7921	7023	9547	4658	6058	4093	6345	8657	7292	10583	6416	4455	7528	6968	5792	6834	6924	5412	6194	5490	6416	5840	4665	6365	9655	5839	6483	5617	2255	2113	2704	5508	6039	3939	6262	6618	6859	6537	5020	2698	6229	7848	6593	10625	5172	5132	8559	2702	6393	4373	3418	4838	3736	8610	4040	3307	6395	5296	5159	6468	5777	8891	2520	4767	13666	6085	9317	8613	8781	7984	8292	3859	10617	3495	6411	20282	0	0	14009	6079	5992	2945	8274	8227	6002	13891	12153	7497	7207	8425	0	6632	6055	2272	8242	4371	Phytochemical	0.0	1.2307693	0.0
14	C13 H16	173.13248	173.1327	0.06568692	173.13249	61144	60573	50369	58735	44332	28656	87300	66013	33707	30403	31314	48029	36031	45252	42597	79486	82709	33874	40856	42121	40514	60434	44865	51595	49358	58405	88237	27455	47999	48885	47697	63606	60114	43008	38814	51196	44675	42575	110792	39168	48507	39097	6396	2734	2028	35556	45931	4405	55582	52958	67539	53798	39589	3023	39051	40980	39732	92460	27109	49627	55977	24836	36061	35098	38081	43504	44938	93820	32185	41832	60509	41304	39387	55140	71402	60028	2110	33945	67338	52283	53643	40968	92273	91761	60033	33172	80716	34428	45228	214458	67710	54312	95176	33453	46660	3972	61121	52275	40494	81387	93223	61879	42724	49392	24538	61637	45205	2536	60182	31713	Phytochemical	0.0	1.2307693	0.0
2	C9 H20 O1 N2	173.16484	173.16512	0.002935653	173.16484	1070	739	1226	0	15259	0	748	1088	675	379	0	606	651	8532	618	2522	585	27566	1204	890	438	565	697	1063	593	0	0	0	2410	958	10241	2973	1390	766	0	1099	625	501	0	425	0	0	2967	0	0	349	0	0	2187	0	1111	681	1143	0	1179	338	0	1579	0	0	1061	0	820	0	0	1748	738	1550	0	208	0	0	0	514	2323	649	0	0	1085	0	768	0	0	0	545	516	1350	1365	1053	2595	0	0	2070	0	1100	0	0	1038	467	638	438	776	0	305	0	1202	0	0	1490	883	Unclassified	0.11111111	2.2222223	0.22222222
0	C5 H4 O1 N5 Na1	174.03864	174.03891	-0.22175618	174.03859	21767	20919	20812	18512	0	0	6194	4933	0	1411	1419	0	0	0	0	72720	0	0	903	0	0	0	1377	4703	1924	0	1472	734	11908	17445	0	7127	0	0	0	11741	0	0	0	0	0	1404	0	0	0	3201	0	0	8247	4181	18264	11334	0	0	0	0	0	3662	0	0	115371	0	0	0	0	0	0	0	0	0	0	6158	19495	13985	0	4668	0	0	0	0	1207	0	0	0	0	4572	0	0	0	0	1213	10463	0	0	2411	0	18045	24057	714	0	0	0	0	0	0	0	0	0	1964	0	Unclassified	0.2	0.8	1.0
4	C10 H7 O2 N1	174.05496	174.05527	0.12920794	174.05498	67010	110501	92832	93027	146024	182026	19941	255984	36587	17936	20797	92801	91899	0	54191	119895	28688	87690	126766	17342	13851	106947	163953	240160	60777	2505	21635	38098	251437	254492	436002	233174	90243	233846	19471	180559	43040	58592	36967	11376	3317	91392	3878	3000	3098	69720	6322	3590	104141	243637	92743	99166	99105	4315	29532	39535	37429	131100	5801	5494	137052	3114	99551	33216	56520	114013	102577	39551	6556	21092	4321	256182	226187	247977	27326	253321	1709	59594	121835	45934	118193	24727	7111	3937	16842	50606	210510	54453	85747	267962	81965	29484	205985	19951	15650	6367	73727	109099	67391	20629	31328	93960	88001	15754	6531	153262	25052	4116	47761	52035	Phytochemical	0.2	0.7	0.1
12	C10 H7 O2 N1	174.05496	174.05519	0.13428251	174.05498	15919	11390	25263	17057	4914	10004	21670	61437	3285	0	5383	31773	4318	11828	16131	21454	54342	7616	7415	2171	1355	5828	21944	5347	13411	0	21061	26877	41230	32176	47204	59850	28932	71234	1910	39025	19370	25049	55749	0	4367	16153	1835	2549	2273	3741	0	3096	80836	36877	22057	17906	12522	3143	3039	3146	8382	47162	0	0	16083	0	4858	3462	9446	9436	33045	40227	0	5954	3178	72477	88455	46022	18101	53431	1633	26310	10570	0	10703	2657	1435	922	3670	5504	29318	16359	19794	31163	6040	4473	14753	2932	0	3257	20378	7820	5252	2767	3772	10888	25816	0	0	41347	2987	2467	18970	3533	Phytochemical	0.2	0.7	0.1
6	C10 H7 O2 N1	174.05496	174.05522	0.07398805	174.05496	10644	11419	5655	11459	6581	6279	10810	19006	4781	2976	5758	6195	3894	6537	11616	24520	17430	8181	9923	1745	1718	6654	6829	21217	12873	1311	12511	5466	24967	18623	16643	26522	28145	32313	2852	23089	26524	8380	19799	1769	1756	11522	2398	2103	2109	5526	2347	2086	19029	14744	11272	11183	7081	2356	4248	3423	4754	35447	1498	2235	31022	0	5932	2871	3731	8718	9700	24012	1671	2167	2567	18183	27232	27338	17912	22687	1583	8972	8272	4124	6498	4919	2042	1501	4081	5787	13011	11876	12899	29041	6287	3349	22609	1144	2764	2341	9427	9547	3284	3367	2843	28325	11331	3113	0	27060	2741	2745	11109	5150	Phytochemical	0.2	0.7	0.1
8	C10 H7 O2 N1	174.05496	174.0552	0.023720084	174.05496	106785	179365	142627	165249	31682	67706	98114	710302	17116	26616	77490	544491	19582	41640	205744	337549	207206	38148	64911	2439	2077	35434	107167	124868	62301	920	80876	197175	459664	419144	680065	446341	90066	438901	8044	430606	68346	207674	244180	3055	2111	67922	2179	2973	2248	5947	0	2633	440277	622774	167367	150509	39041	3387	7104	7082	22205	270558	1620	3186	170074	1772	10278	13934	28850	46637	144439	244016	6800	2530	3695	738084	545011	503899	90885	801476	1894	349309	76428	56430	37650	6817	3301	1405	11845	20294	170797	116639	88226	197467	174957	71471	92291	13919	11948	3580	142559	158375	13264	9829	8246	126796	411625	4072	0	204835	6816	3219	61681	12843	Phytochemical	0.2	0.7	0.1
10	C10 H7 O2 N1	174.05496	174.05519	0.057149168	174.05496	21427	31937	15531	22352	4073	6996	15284	29185	3281	1672	7231	19737	2251	4251	11729	144174	23127	6376	6498	0	0	7517	9812	26553	6638	1331	29737	16068	62897	63546	34078	70784	21566	56428	3523	60314	32046	11720	42930	0	979	20025	2825	2984	2805	3705	1874	3520	58861	47926	21429	27882	6429	2705	3361	3037	5104	108517	0	0	137055	1083	3392	3681	3469	7735	10339	43229	0	0	1755	43623	52452	53496	109119	87840	1703	15004	6693	7046	6747	3459	1718	1041	3076	4474	16288	12408	18671	54372	14115	4632	23865	2043	3331	3400	15439	23909	4011	4370	3021	22988	21463	0	0	21695	2277	2862	7236	3866	Phytochemical	0.2	0.7	0.1
2	C7 H11 O4 N1	174.07608	174.07635	-0.038916554	174.07608	57523	63653	48195	56148	63192	80787	40659	99173	45348	19473	14544	87161	89321	52800	98228	59685	40479	96457	69142	31396	25683	44044	86188	64924	41098	3847	22289	9648	117704	97999	116920	120276	120203	129497	43165	115192	109330	49718	44592	16010	6373	55945	9955	5938	7536	28466	10809	6488	106952	68910	52935	62695	59549	7215	46986	30302	31360	84673	43418	11383	66683	5787	70455	43775	31580	101036	63696	46617	6824	11834	7051	148798	131844	140013	18655	108811	4984	105653	27226	10702	31438	17026	14680	6589	33984	32553	30361	87758	83896	36086	26741	28168	85996	7167	12358	9519	53065	63615	34931	25305	31256	89274	114698	36119	13038	76717	25561	6396	28296	94551	Peptide	0.5714286	1.5714285	0.14285715
4	C7 H11 O4 N1	174.07608	174.07637	0.03715429	174.0761	37701	41294	36562	36821	31927	45840	26686	57506	41621	9574	11310	34552	41688	39714	37342	50801	35746	51884	41283	16269	9367	25535	38628	45044	42470	3457	25061	7896	53287	47416	53134	57385	61512	57885	20010	56273	52056	32589	43576	8915	6271	39512	7892	7336	8841	18966	9304	8213	61076	48358	42381	32025	41274	8032	34005	20044	28893	58560	18174	7659	54312	5210	43421	29484	23060	49245	33676	34031	6450	6921	5891	62612	61444	68254	25028	50701	5584	44950	23032	9459	29785	16125	13296	6389	22659	28543	21949	41634	53672	24173	19668	19896	42879	7054	8514	12123	33805	39935	29514	23896	22702	52190	53316	19455	10180	39731	21946	8659	27007	53501	Peptide	0.5714286	1.5714285	0.14285715
0	C6 H11 O3 N3	174.08731	174.08762	-0.16046596	174.0873	7329	9254	8939	9130	13126	10117	4068	16433	8447	2296	2670	5086	11515	7898	4306	3118	4527	8625	7192	2694	2844	16186	6242	20032	10930	0	0	17957	17825	2962	11658	11865	20956	12419	5674	10005	12265	5521	8708	2180	1066	10176	0	2170	630	5248	0	1289	15050	5093	6840	8741	9685	871	6765	3062	2924	29679	2080	1614	8321	1073	11353	3119	5261	9705	26076	7039	397	2789	1319	9517	10729	4795	0	8911	727	4223	10802	4591	8021	1550	1656	0	4458	1990	13061	7102	12274	21078	10786	6750	29538	1916	0	1864	8182	7555	3937	4268	3044	10978	2755	3461	0	24547	3969	1764	6722	15672	Peptide	0.5	1.8333334	0.5
4	C11 H11 O1 N1	174.09134	174.09163	0.075924814	174.09135	6360	9673	8478	8353	3573	3992	6042	7609	2174	14054	12533	7741	2745	3535	4539	23144	10547	4723	5199	9809	9165	6210	6713	15536	4584	1999	6792	25943	8724	13914	11731	16372	9315	14959	7968	15200	7752	5368	12970	4538	2497	7825	1062	878	1061	7142	7305	1182	15556	8983	8377	7073	5204	912	2010	1493	3426	19596	976	2338	22750	1949	3561	2620	2907	8209	10955	15323	1607	3563	2397	12344	18370	15009	18863	20175	732	6691	7391	6577	6515	2641	1534	4728	1864	3074	9717	7815	8218	14075	11240	2709	11711	3702	6706	1809	7530	9167	2807	1856	2208	7810	7693	3022	0	10455	1942	1072	5015	2822	Phytochemical	0.09090909	1.0	0.09090909
14	C11 H11 O1 N1	174.09134	174.09155	0.094450615	174.09135	4546	5291	6651	6119	2240	2257	5269	3751	1967	0	2182	5562	0	1239	3600	9049	5934	2008	2459	5213	4726	6085	2189	7392	6204	1272	7200	0	2884	3228	3228	6778	5833	6860	2731	3035	7036	2495	10000	4098	4139	2157	0	994	634	3166	3783	982	6441	4439	4598	6117	2343	824	0	0	2552	8859	0	0	0	2106	2306	2235	1743	2272	2299	9621	0	1565	0	3300	3994	3058	7075	5669	729	4355	3876	0	4507	2975	3950	3765	1616	0	8733	4131	4340	32028	7888	3675	11379	0	4700	1163	4501	4536	2785	2505	1128	3185	3582	2349	0	7999	1233	1020	8669	0	Phytochemical	0.09090909	1.0	0.09090909
2	C11 H11 O1 N1	174.09134	174.09161	-0.048788976	174.09134	42523	43540	32300	38767	6971	25346	48565	67457	6291	8068	7882	37784	5653	12157	30991	111967	89504	32014	27418	7723	5119	13641	23495	46858	35153	1330	53359	11527	84680	81206	67222	86440	75045	72113	6960	76251	64561	30942	95984	4070	3182	27355	1066	944	735	11774	3568	893	95505	47754	32377	40700	20976	770	5018	1692	9244	96118	1088	1685	85002	1642	34681	6474	9318	9905	30982	101578	2759	8346	5596	63860	73304	96212	102078	79810	907	36526	53967	6068	29687	2993	2448	3509	4626	11527	63002	35448	34082	88087	11854	3786	66353	2343	5188	1432	35753	37173	4996	2792	3321	81028	35782	3818	2691	55392	3704	982	36662	8575	Phytochemical	0.09090909	1.0	0.09090909
4	C8 H15 O3 N1	174.11247	174.11276	0.05113968	174.11247	31506	34524	28985	29672	44360	27755	25524	29752	23016	16648	12259	15815	29547	36620	13732	48452	67606	69223	31081	14456	12641	24099	12213	27114	18064	2310	30748	11535	27664	27612	31033	42255	49918	47193	20730	34924	46475	15218	71134	6527	7466	30013	3072	1171	1253	16352	16679	1619	39786	25670	34405	25155	48746	2882	20678	12676	23663	52654	7612	15365	44569	3570	27505	15812	22120	36101	27264	59477	2978	9685	5624	32528	35978	42865	35806	33424	1237	14374	14414	6120	12574	10778	10288	5948	14808	25037	19306	41535	37033	34978	16616	12806	36696	7561	13791	2134	31552	29452	30304	19530	20219	41567	17060	17357	7930	36976	322621	1409	18716	29700	Lipid	0.375	1.875	0.125
10	C8 H15 O3 N1	174.11247	174.11269	0.110953055	174.11249	5217	4431	5162	6751	16551	7378	3909	7192	3003	0	2753	3593	15777	36561	4718	7992	4951	11664	9498	2154	0	3837	7491	12556	5334	0	3238	20583	8719	7306	5947	15053	8347	12982	1171	8716	7051	3965	6164	0	0	5094	2678	1882	1805	2753	0	2046	5414	5780	4944	6414	8742	1543	22258	2077	4629	12431	0	1964	0	0	8961	3918	4634	10933	8265	6171	0	0	0	10958	11832	7740	5248	9458	1729	5263	3813	44986	3924	1508	0	0	3298	9107	5241	5884	6919	4132	41581	25244	7596	5109	3973	1903	6583	7117	3613	2450	3802	8509	4349	2758	0	9680	3010	2382	3460	11757	Lipid	0.375	1.875	0.125
2	C8 H15 O3 N1	174.11247	174.11275	0.004920989	174.11247	21231	22018	16958	19110	24395	41975	10253	17147	12785	8129	6848	10217	24577	67140	8174	18062	18280	33175	24525	7528	7698	15720	8774	19018	7948	1182	12218	4073	18713	15567	19835	24540	33070	27648	9795	19700	27825	9793	21140	5841	2627	20248	2063	1247	1274	8276	5457	1230	26741	9896	18711	19547	23322	1730	12141	11698	9826	32789	3568	4148	21120	1630	32707	11567	20815	31115	40492	17606	2030	5521	2607	28126	27550	16883	10452	20835	1081	9866	7792	0	7075	3918	3550	3363	10374	10071	8541	25357	33408	20098	9217	8586	26287	3285	3727	1818	17537	16183	10366	10698	10260	24579	12027	9916	4097	22225	7133	1247	7986	37108	Lipid	0.375	1.875	0.125
20	C8 H15 O3 N1	174.11247	174.11267	0.13065287	174.11249	3789	1897	4235	2875	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1306	1391	1430	0	0	1922	0	0	3838	2003	0	1545	0	12130	22480	0	0	0	0	0	0	0	361819	9145	9179	0	0	0	0	0	0	0	0	0	1603	0	0	0	0	0	0	0	85837	257108	0	1043	0	0	0	0	0	0	0	1557	3572	2745	9513	18032	132880	0	0	0	0	0	182149	1917	0	0	Lipid	0.375	1.875	0.125
12	C8 H15 O3 N1	174.11247	174.1127	0.09448523	174.11249	11099	11840	9197	9017	11529	6550	0	4761	0	7456	0	1611	3769	460633	2237	4896	2244	3070	2328	0	1443	0	5545	0	1892	0	2140	0	6369	15561	3097	26269	8675	18179	3307	18861	3541	973	2615	1367	0	5619	6218	1602	1749	2528	0	2394	11744	13179	11522	8661	7372	10092	11635	2823	8101	18556	0	0	0	0	6030	1251	3210	18998	9368	0	0	0	0	9378	26204	19664	14612	12920	1293	4768	2181	0	11559	849	0	0	0	18921	9528	9408	7278	12019	8736	0	11264	0	9098	1940	10418	10163	4598	2102	5835	2367	3677	0	0	7065	5500	2205	1455	19453	Lipid	0.375	1.875	0.125
0	C7 H15 O2 N3	174.1237	174.124	-0.13489848	174.12367	3874	5151	4931	5181	15117	14081	2200	11771	7084	1534	2106	4663	9469	10879	6303	6210	14237	32333	26707	2717	2637	6082	10631	4506	6202	0	0	4881	9920	1907	9550	6608	18839	9813	1845	4253	6584	4218	14045	0	0	15185	0	0	0	3837	0	0	9939	3048	5437	3905	17136	0	5426	3458	6291	22128	624	547	9567	0	13752	4825	13254	10190	21191	10713	0	1644	0	5666	8830	3988	0	6899	0	3785	5273	1430	4174	613	0	0	10113	10482	10521	22962	24895	27020	2889	4244	22141	0	0	0	5000	5549	7605	3593	7297	4253	4965	0	0	12006	9150	0	5826	19807	Peptide	0.2857143	2.142857	0.42857143
2	C7 H15 O2 N3	174.1237	174.124	0.11187821	174.12372	4392	5615	3776	4250	1247	0	0	4264	641	606	5824	2211	1144	1656	1573	5441	6919	3014	5179	562	0	8267	2397	6851	1354	0	0	18673	8604	2850	7808	6955	5919	11998	792	6421	7327	2373	12065	0	0	0	0	0	0	733	0	0	5157	592	3949	5081	1397	0	408	0	1109	12284	0	0	5645	0	2948	766	0	3389	5740	13533	0	379	0	4859	7351	1864	3816	5720	0	1627	3020	15648	1927	0	0	0	1104	1101	5594	5057	8184	60446	1734	2847	16769	1833	545	0	4128	5162	1058	492	570	6020	2650	548	0	13362	449	0	1919	1740	Peptide	0.2857143	2.142857	0.42857143
0	C6 H15 O1 N5	174.13493	174.1353	0.2321752	174.13498	0	0	0	0	9965	15357	0	5276	8313	0	0	0	11695	19089	1594	0	950	12129	6465	0	691	4444	3569	3466	6160	0	0	442	7080	0	2955	0	14958	2152	1130	0	0	989	1325	0	0	1266	0	0	0	0	0	0	0	0	0	0	0	0	10865	1597	0	4931	0	0	2850	0	4169	1618	951	4864	6748	1479	0	0	0	0	0	0	0	0	0	0	3843	1429	3101	0	0	0	1889	1852	3945	0	3776	6902	5815	1443	10658	0	0	0	0	0	3539	491	0	0	0	0	0	9521	2406	0	3457	25265	Unclassified	0.16666667	2.5	0.8333333
4	C9 H19 O2 N1	174.14885	174.14914	0.020755596	174.14886	5321	6465	6429	4868	6072	2440	2454	4194	2910	2040	2423	2905	4167	7228	4124	13936	8660	10700	6436	1288	876	6078	3320	7224	5531	0	4261	14484	4821	5073	5222	3725	8035	4752	2624	4928	6238	2823	11132	0	406	3785	0	0	0	1894	0	0	6084	2980	5026	5207	7742	330	2889	2365	2836	16733	756	478	8855	0	5615	3350	32787	7733	5084	8711	0	0	0	4149	8788	5223	4335	10555	0	4372	6348	9308	3478	1160	480	276	1575	5269	9298	8897	6427	14280	12704	9695	21739	1470	1287	0	5798	5254	2120	2555	2461	6664	1940	1068	0	16222	2444	0	4118	4787	Lipid	0.22222222	2.1111112	0.11111111
2	C9 H19 O2 N1	174.14885	174.14911	-0.07491237	174.14885	17510	15729	14932	16344	34772	0	4288	4183	21653	17545	5267	3240	13930	277160	2797	34721	5321	23954	6651	3308	4511	8710	2389	5916	3128	0	10206	11772	7957	5214	7549	8829	7258	4360	3156	5652	6451	3299	6538	5935	1964	6799	10096	0	0	4022	1648	382	11507	4167	16610	16091	32641	494	4929	1974	4356	31661	854	2364	54184	1387	247630	3539	107787	42865	40380	5332	0	5733	1334	4063	6561	8374	28871	6599	335	2974	3370	15472	1938	2922	777	1371	3683	12588	7641	18197	15509	104455	7893	9245	14276	2217	9727	609	14468	13802	7103	2975	4245	7168	2495	17971	1554	6608	8776	309	2402	92721	Lipid	0.22222222	2.1111112	0.11111111
4	C10 H23 O1 N1	174.18524	174.18555	0.07948015	174.18526	795	1308	1060	691	257	0	0	0	0	8607	5858	0	32439	0	0	0	0	0	0	1113	1249	0	0	0	0	0	0	18665	0	0	0	0	0	0	3246	0	0	0	0	0	0	0	0	0	0	0	1656	0	0	0	781	1170	0	0	0	0	0	0	0	0	0	0	0	0	0	6646	502	0	0	0	0	0	0	0	0	0	0	0	0	25992	0	56057	0	0	0	0	0	0	0	0	7160	0	0	10740	6623	0	1075	1140	0	1313	1229	0	0	0	43581	0	0	0	0	0	Lipid	0.1	2.3	0.1
2	C10 H23 O1 N1	174.18524	174.18553	0.082059816	174.18526	4995	3545	3765	3293	0	0	780	1326	0	21701	14027	537	6646	13695	360	1151	1925	0	397	3256	1823	1432	977	1239	880	0	1747	32996	495	733	910	1974	1657	1850	6087	976	1486	0	1274	0	0	0	0	0	0	3376	3372	0	578	615	3981	3964	526	0	367	976	852	1691	0	0	1335	0	0	0	0	1074	41436	2153	0	0	0	935	874	994	1049	494	0	439	1821	177887	1719	124547	0	0	386	414	2762	0	518	2846	11077	1119	4132	13274	8779	0	3550	3217	432	458	1388	1938	425	218	88794	1768	250	0	1228	0	Lipid	0.1	2.3	0.1
4	C6 H6 O6	175.02371	175.02411	0.1202843	175.02374	0	0	0	0	337	533	0	0	0	0	0	0	739	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	836	0	0	620	0	0	0	0	0	0	0	0	0	0	0	0	0	0	637	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20424	0	0	0	0	0	0	0	0	788	Phytochemical	1.0	1.0	0.0
14	C9 H6 O2 N2	175.0502	175.05038	0.074085705	175.05022	3745	2910	4124	2371	0	2511	12878	0	0	0	0	7080	0	0	2535	9768	3339	0	0	0	0	0	2068	2523	6450	0	10902	0	0	2535	3359	7076	3655	8390	0	4645	5480	6308	7487	0	0	1694	0	0	0	0	0	378	6031	1281	4448	6492	3571	604	0	0	4906	7989	0	0	0	0	0	1776	0	0	3332	12055	0	0	0	7522	7956	3797	8219	4675	0	5303	11287	0	6302	0	0	0	0	0	15054	6173	5728	34744	0	0	3851	0	0	0	4411	0	0	0	0	5025	5022	0	0	8392	0	0	15510	0	Unclassified	0.22222222	0.6666667	0.22222222
2	C7 H10 O5	175.0601	175.0604	0.022037882	175.0601	10160	11868	8892	10039	21059	20917	5782	15634	9700	3312	3683	5524	52113	21138	8787	6747	5728	31176	20803	3332	4324	10103	10351	19421	5876	2447	3390	1967	22102	10074	14195	17202	19714	23187	6290	14293	17320	8160	4923	4453	1871	11540	6944	2843	4590	8013	3587	3518	15337	7690	8333	9436	12114	4806	12001	12882	6157	17647	2735	2792	15105	2288	26053	8014	7412	33785	13035	5895	3312	4129	2857	21009	19497	13646	2284	12527	2614	7419	6600	0	8339	4899	3920	2297	12078	8928	6261	16460	16525	5017	26087	11711	12876	2812	3385	5833	9990	12437	9073	10701	14290	10984	8597	4403	3469	12938	9253	3363	5744	28152	Unclassified	0.71428573	1.4285715	0.0
4	C7 H10 O5	175.0601	175.0604	0.031702604	175.0601	9652	9919	9833	11054	21560	23609	3980	13334	12647	4044	5549	4927	61975	23699	7984	8910	5516	25688	20055	6306	3759	9167	8369	11480	8045	2677	5086	8628	13982	8032	12395	12932	18802	15164	6689	10954	10394	6958	7646	4778	2263	11484	7795	3708	6592	6331	2376	5559	12842	8890	10652	7951	15016	7983	16145	11481	6179	14862	3343	2473	12083	2544	40671	9958	6746	36349	12492	5253	4513	3692	4664	15924	14678	11470	3346	9108	3789	7327	7478	5788	9377	5192	4705	3287	11058	10960	7161	11419	16143	5236	12120	8796	14131	4270	2938	7929	8360	10293	10618	11687	12173	10504	7475	7017	4924	8262	8592	5567	4899	37136	Unclassified	0.71428573	1.4285715	0.0
12	C11 H10 O2	175.07536	175.07559	0.008041759	175.07536	175960	211116	184022	190775	210050	159739	179191	171863	223644	138084	123747	106276	178520	157699	154743	223704	191911	262705	289754	180180	184878	200991	151729	148579	145084	91444	193026	88518	222063	179860	185589	224760	282053	187143	204608	188876	239675	155930	211819	136351	143993	173139	42369	34066	35017	120994	93291	44549	255840	140751	196253	209271	208146	32472	247178	147006	149946	239082	116421	119153	218101	84288	243245	190354	114256	244751	169598	197570	96367	142558	138923	135410	178446	179132	202150	232659	23809	136231	150959	106487	158671	125621	162469	121961	164342	140752	202350	155844	200774	209765	171649	176729	190205	93941	153561	45735	192478	195262	185494	198512	188680	262310	158959	136089	90558	155776	171255	36680	128770	249429	Phytochemical	0.18181819	0.90909094	0.0
14	C11 H10 O2	175.07536	175.07558	0.00815556	175.07536	203257	213496	173533	200747	246999	188741	203357	200178	244000	143659	129280	146298	249489	192513	185421	233043	248385	319112	264848	200018	179360	187192	172197	151820	179958	101436	204256	118143	218795	205588	178090	258140	302440	202813	207366	225813	257692	171154	242868	160770	121711	193509	37751	32183	31570	125254	115601	43324	240609	160836	184482	186709	221265	32428	271786	180330	173416	320030	116185	115723	174111	89227	259549	222148	153658	274266	238443	235990	93085	145978	127703	169626	210046	206366	194879	248350	27287	144595	172459	124367	181702	135125	158005	129292	221760	157517	236827	194476	254609	251391	225887	162043	225606	103529	138131	50327	198030	207872	214175	251977	241584	243293	171364	163861	68038	185895	173191	35589	171689	229877	Phytochemical	0.18181819	0.90909094	0.0
10	C11 H10 O2	175.07536	175.07559	0.020989615	175.07536	170476	152928	119690	130878	173591	123744	146011	146589	185546	119234	95602	108596	175520	127990	126207	176777	167430	218431	220116	150795	134810	144562	123926	122754	106815	87610	142038	90643	160435	136947	130536	151249	215941	131539	160035	150726	182953	118345	201308	114716	121748	134464	41712	34289	37116	108445	97238	42897	158360	111637	145387	166103	158253	28911	208847	145555	99731	202073	100727	111910	176235	65741	164496	158083	97646	184615	138700	205119	89965	107315	117084	115614	132176	138081	150265	167270	31856	97016	132511	78263	139009	113650	149541	101992	181783	123921	163988	130486	160603	159438	130679	116145	150070	95650	113600	41911	146349	153918	166445	203119	195569	179156	132731	136508	68860	118166	155559	36822	105498	189304	Phytochemical	0.18181819	0.90909094	0.0
0	C8 H14 O2 S1	175.07872	175.07907	0.03170241	175.07874	0	0	0	0	0	426522	0	0	1380	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5893	0	0	0	0	0	0	0	0	0	0	1838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8047	3357	3816	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2612	0	0	0	0	0	0	0	Organosulfur	0.25	1.75	0.0
2	C10 H10 O1 N2	175.0866	175.08687	-0.09010944	175.08658	26102	32200	29129	32671	21495	20402	19939	31741	12146	65403	49908	12957	11282	33230	14564	42358	46367	21260	26913	28700	21888	23377	18886	43041	29118	4183	21668	114186	33802	17613	33436	32265	51034	30453	33192	33795	50558	15432	56164	12054	10088	20153	852	573	368	14177	14727	579	33640	18738	31622	30756	27226	487	8474	6504	10841	65571	892	3187	40065	2708	9051	7103	10297	20171	25311	59123	2193	11204	5519	25455	30347	17138	39779	31114	368	14271	29035	29864	21724	5220	2544	9287	7145	10333	30013	33279	32686	108048	0	44306	95893	8402	9248	1071	30152	27321	22846	6929	7577	45163	13466	9592	3650	59342	10373	495	27778	14533	Unclassified	0.1	1.0	0.2
14	C10 H10 O1 N2	175.0866	175.08675	0.07103825	175.08661	4320	3969	4979	2562	1504	0	5159	7009	0	0	0	3681	0	0	2870	14769	6439	0	0	0	0	0	1272	9987	4531	0	3825	0	2821	7932	14105	14349	6626	15820	0	5032	8657	3823	6989	1363	0	0	0	701	345	0	0	683	11584	6626	2844	2877	1274	379	0	0	1089	14319	0	0	0	0	0	0	939	1468	1973	7298	0	0	1290	17406	15149	8082	7887	14940	343	4200	4170	0	2740	0	1491	922	0	0	4460	2224	2314	29963	4837	0	10169	0	0	686	3330	2979	885	0	0	5107	3514	3498	0	18603	0	611	5249	0	Unclassified	0.1	1.0	0.2
10	C10 H10 O1 N2	175.0866	175.0868	0.039024606	175.0866	9552	8771	8348	10267	2135	4581	9601	17710	1339	4565	3193	11304	1094	2113	8015	24025	18989	3606	4036	3138	2403	6126	4758	19524	6862	0	19427	4526	16327	18131	16988	28980	26999	22211	2801	22739	28239	9740	31827	2213	2599	5312	0	592	694	3643	0	1070	24903	16615	9050	10042	4229	702	2550	844	2703	26528	0	2017	19567	1296	1586	1224	2206	1948	3991	30017	0	0	0	23582	29560	25393	27634	26699	0	11703	8063	5082	8770	2097	1574	1334	3790	3330	13809	6687	7828	29094	6392	5408	21583	1128	3090	603	11889	8151	2186	1493	871	21261	9322	0	0	19881	1604	874	10094	2362	Unclassified	0.1	1.0	0.2
14	C8 H14 O4	175.09648	175.09673	0.13259616	175.09651	39887	43212	51190	46761	7575	15685	11295	9610	15186	7193	21138	6712	30698	41239	14896	7134	11878	11266	5538	8978	5364	370613	6471	10615	10737	10637	14621	129603	10907	12284	5766	7512	14391	5478	9505	7435	12104	11614	4052	12742	5392	20082	103542	47395	45353	12246	6131	51586	10827	8406	24993	23109	8808	79091	73941	27267	41201	6551	19206	12057	0	9269	24894	24272	72354	15162	11413	6554	12904	12367	10716	8257	7060	12809	4689	7561	46662	5458	5003	93211	10430	12162	22505	13300	15323	108933	7757	8491	6621	8707	607667	1728627	10876	12541	3684	47147	25055	54032	135822	7298	22272	10588	10022	10075	27553	13190	40973	52729	6526	5619	Lipid	0.5	1.75	0.0
10	C8 H14 O4	175.09648	175.09673	0.048236646	175.0965	23281	22817	24845	20937	12857	16503	12908	17637	13199	14198	18109	12994	22924	22295	15221	11798	12091	17192	11178	20208	11409	224790	11205	13938	12014	12759	18091	70104	13386	14572	11444	11094	16163	11491	10858	15540	14477	13228	11660	17490	10967	18485	68161	52384	51669	41211	28560	49497	13229	14828	29446	28404	13281	68635	14870	15794	13989	11155	17467	16757	28647	20900	23618	15503	21786	16656	13532	10545	29889	32947	46966	13823	12486	15972	7547	13736	52562	9453	8839	85743	9608	17248	10839	7554	14327	26038	9248	17680	14004	6501	333052	531582	10115	14444	18612	45368	23636	31524	33586	9817	16543	13254	13615	20492	82057	11304	16611	53082	9553	12379	Lipid	0.5	1.75	0.0
2	C8 H14 O4	175.09648	175.09676	-0.04211165	175.09648	18686	18416	18124	19419	8763	0	8356	10378	7115	23479	24735	5919	12070	17271	7916	7549	11025	13170	7880	69612	19821	26042	8314	17722	6430	14177	5515	62272	13504	10955	7943	8478	7939	38901	9789	11932	8311	5225	6316	37143	13268	8353	9231	5762	14206	72016	132545	7174	12392	9641	17044	16723	6624	15629	9107	11192	6529	10530	9442	21352	17893	42461	9086	5286	6425	12602	10336	10105	67348	84133	198155	42336	24092	15869	3379	10707	14641	5995	4474	105070	4932	9383	6000	5440	11632	9852	5448	18014	7181	7118	97000	89150	9676	30444	41249	8299	18619	25271	9727	5194	13435	7179	6930	52447	40653	7547	7908	6800	5434	8165	Lipid	0.5	1.75	0.0
4	C8 H14 O4	175.09648	175.09676	-0.028023163	175.09648	43276	45741	46249	48485	15854	20040	17049	22684	13801	64506	111277	10561	23284	25255	14296	17145	22993	35480	17174	194058	45742	74549	15497	38410	16476	37008	14197	457133	21741	19899	14517	15314	11250	17838	22517	21836	17848	10304	15401	102979	33756	18531	32274	24888	36642	237439	341979	26788	19633	22979	47501	34976	14535	41094	17266	22004	14337	24590	22735	43117	42622	120276	22502	10696	17918	31366	18449	19546	233883	276228	540625	21622	17914	29164	8024	14202	38982	12061	15010	428478	11193	27545	18167	15918	19057	20063	12828	21253	12563	9660	149664	106002	18494	101457	154106	28410	42137	62440	21928	14107	28240	21479	12932	175318	114171	9404	18616	27592	10631	16509	Lipid	0.5	1.75	0.0
0	C7 H14 O3 N2	175.10771	175.108	-0.13264692	175.1077	6710	5732	4361	4084	33512	86971	2263	22571	27140	1115	0	6573	61947	44091	5481	0	13719	39032	32135	2128	9304	22160	17285	8308	29822	0	0	9589	65054	3114	35801	12766	100484	20945	14828	10253	17051	10716	23210	1697	0	15196	2068	0	0	6717	0	291	13041	2361	5314	6121	39383	1803	37317	11787	3829	34089	2894	1632	4229	0	68576	8056	8238	41373	78876	20845	0	6761	0	13657	19216	8747	0	14786	0	6772	15821	33755	11836	843	0	0	10541	5940	29550	16975	26059	37180	0	31065	17857	4733	0	595	5840	4917	10688	6455	7085	6768	9731	1803	0	34172	12158	0	12467	95877	Peptide	0.42857143	2.0	0.2857143
2	C7 H14 O3 N2	175.10771	175.108	0.033723935	175.10773	1579	1576	1402	1769	1625	0	574	1098	1040	0	1064	523	1522	918	926	699	2012	1837	1797	0	0	1162	790	844	773	0	0	4431	1259	823	1478	1590	2182	1513	0	1419	942	928	1673	0	0	0	0	0	0	577	0	0	598	810	1335	2269	1059	0	1194	668	911	2859	0	307	763	0	1808	1092	0	1895	1699	1944	0	0	0	1004	1266	940	623	1115	0	412	739	32702	656	0	0	0	969	783	1812	2074	1896	2611	37610	12757	2073	3681	438	0	1045	1739	857	286	770	1147	637	469	213	2430	539	0	628	3139	Peptide	0.42857143	2.0	0.2857143
8	C7 H14 O3 N2	175.10771	175.10785	0.20688686	175.10776	0	0	949	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43424	0	0	0	0	0	0	0	0	0	0	841	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25272	0	0	0	0	0	0	0	0	0	0	12065	8196	1272	1964	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	2.0	0.2857143
10	C12 H14 O1	175.11174	175.11197	-0.001276322	175.11174	135987	126093	105157	95168	122121	76070	125668	115219	100548	78080	63179	78275	103532	122105	85758	142277	155440	108152	133352	112268	104115	113191	80384	98389	82812	123030	134744	61434	109500	106547	94178	125207	150474	92804	93766	109204	109697	90096	186687	84106	105854	89505	24655	17304	16977	90478	90321	23450	114819	95626	110789	123297	100506	16461	118261	109847	68614	164974	70946	115643	141802	47506	98493	87063	80480	103846	97081	173541	82702	104757	121264	71469	95865	113750	147747	123995	13965	64073	123225	75779	102636	90116	166198	137619	143558	90334	142990	74691	93507	198658	109361	108432	124239	76589	103587	20936	102060	126749	103477	184059	187365	131535	88681	107523	43624	96750	115534	18109	96267	92199	Phytochemical	0.083333336	1.1666666	0.0
12	C12 H14 O1	175.11174	175.11197	-0.009355265	175.11174	178836	240351	177168	213358	171202	129149	254029	170891	152466	127817	127203	103479	123766	196252	122382	259446	256935	173183	202472	182967	184846	196976	122064	184860	117543	178689	307734	104268	169060	169991	156192	213015	219388	170143	150203	175043	186533	129268	296559	126984	168302	143108	23823	16211	16919	113273	151448	22037	230526	147754	208466	226389	159630	14219	170986	147091	127110	233362	96191	167675	191411	78708	188516	129208	160686	178263	157146	235152	121532	161777	205907	120743	155625	164885	267361	216877	12381	110458	168013	98125	144495	137890	290966	291070	171131	127737	214376	130408	151719	315426	218003	184947	198080	100166	184710	22708	205398	206084	157227	230560	246898	211318	121727	154783	93551	163674	166751	18104	135535	150964	Phytochemical	0.083333336	1.1666666	0.0
14	C12 H14 O1	175.11174	175.11197	-0.022447292	175.11174	246062	249095	207010	238593	238865	168675	347229	201833	188200	167351	149430	168484	225339	314121	167359	262424	366755	239044	241411	259542	267517	228752	160889	176674	183230	231681	347363	151249	228938	217077	192201	261309	304315	203836	204498	243617	246036	163371	365162	177959	208698	203429	28860	19283	15485	142840	172489	24234	250165	183294	234859	219661	206808	15947	207688	193469	178848	325322	103174	203558	231191	91952	229357	195117	209841	233942	243464	336754	134692	196267	236829	148553	197973	218464	291444	277412	14772	139286	215594	171017	178968	165350	319208	433283	251346	154643	294215	179916	230191	449463	289895	213562	280673	134321	197681	27396	246008	233280	206352	325673	345848	256237	171457	213793	86129	204348	191730	18572	190013	177822	Phytochemical	0.083333336	1.1666666	0.0
18	C12 H14 O1	175.11174	175.11194	-0.018904636	175.11174	289602	300448	244461	244902	281123	231241	348231	299861	193947	207122	174508	181228	283089	271678	228119	361565	369658	307373	324651	270166	229393	236460	216231	222687	198447	168849	329858	205632	266733	282478	246127	300112	358833	297673	210728	290413	330592	200792	379721	172716	187781	235860	45482	20353	23655	156364	156190	27421	326251	235424	264314	281017	248761	23360	243225	218709	195827	426096	145263	184718	303125	106177	298626	198650	187983	311336	260907	391871	115132	170891	181001	221268	203509	293969	346712	340450	18630	157355	280102	222692	200674	172744	280340	263137	269746	219859	290022	247912	267946	477135	373380	318512	369583	141835	233564	30341	261459	263327	238420	298761	349560	341996	192940	246624	118023	232460	197616	21098	234649	214510	Phytochemical	0.083333336	1.1666666	0.0
8	C12 H14 O1	175.11174	175.11198	-0.010446346	175.11174	69342	76438	42988	56433	58361	38114	65507	64770	57722	37034	32583	46009	54416	58864	57416	72288	89077	47757	73656	62470	53129	66766	62522	56406	42490	59278	61250	39490	54835	59700	50737	65088	61377	49704	57522	64792	57252	53415	93910	42442	54426	52002	17369	14992	18545	51961	56903	22455	59763	53010	55879	67820	53406	13826	74695	58883	52481	64311	45242	53689	57622	29549	61738	49941	43697	49157	44159	82067	47249	50001	66321	40116	54624	56010	62512	75205	14682	41657	72667	36433	62994	59660	84331	72622	74713	43283	82115	37926	53020	112620	52049	60474	77354	43069	46963	18098	64744	66554	62961	122518	117270	70056	53335	54838	29791	51798	64309	15469	57244	50446	Phytochemical	0.083333336	1.1666666	0.0
16	C12 H14 O1	175.11174	175.11195	-0.01771974	175.11174	253112	291505	239808	262115	281842	215927	358340	240088	206309	202881	164730	172995	254858	285590	215451	335273	421849	301273	317842	297865	254773	242273	195597	203043	198167	202670	344794	153417	245916	264984	242189	306834	356255	229008	226839	276139	309454	190138	422291	181024	197825	245588	33675	19346	21418	152448	194074	26017	331163	234514	261521	277750	260875	21776	233619	223810	200479	390579	138823	226832	258513	106334	269754	215419	191146	303848	271530	380567	146379	175998	204653	197902	253856	286408	370067	308233	17840	149644	262422	209588	188444	180277	343994	408988	276830	190535	324608	256009	280393	518300	301505	253559	341115	163042	232576	29425	262825	252319	230382	317365	380359	324772	159145	205363	94588	258676	240575	19107	240713	233755	Phytochemical	0.083333336	1.1666666	0.0
20	C12 H14 O1	175.11174	175.11194	-0.015703797	175.11174	241833	264451	227667	213976	246772	218268	305682	258046	193183	183978	142865	186327	251089	262134	252238	324534	292798	250779	295739	213232	207154	216433	180860	216192	204429	141569	318566	155352	286405	265245	189143	281459	318109	260127	201373	261741	318150	208355	293936	159809	143068	241992	50631	33272	23954	130786	140723	41353	284221	197239	235588	265094	215557	21967	218432	211211	196115	334368	152781	172138	242411	94583	223189	198712	171010	252938	218776	298369	115361	140827	182286	189906	232821	263635	293639	287294	23806	159590	260873	189610	175864	119693	267630	215743	240258	185975	302105	230255	230459	456271	357192	278177	359680	148670	173945	39221	241128	245163	222731	272424	303082	335715	192851	230630	135845	237968	198937	36230	223219	214398	Phytochemical	0.083333336	1.1666666	0.0
18	C9 H18 O1 S1	175.11511	175.11507	-0.7246747	175.11499	0	0	0	0	0	0	2065	3983	0	0	0	1200	0	0	0	1736	1468	0	0	0	0	0	1129	0	0	0	0	0	0	3632	21997	3861	2048	0	0	0	0	1743	0	0	0	0	3155	3988	3380	0	0	3872	1579	3791	0	0	0	2858	0	0	0	2665	0	0	2954	0	0	0	0	0	0	0	0	0	0	1960	0	0	1871	0	3786	1176	0	0	0	1451	0	12809	0	0	0	1070	0	0	0	0	0	0	0	3786	0	0	0	1446	0	0	1459	0	0	0	0	4123	0	0	Organosulfur	0.11111111	2.0	0.0
0	C6 H14 O2 N4	175.11896	175.11922	-0.139907	175.11893	2748	2574	3248	2063	2759	30129	0	4400	3473	0	3007	0	13364	11208	0	2028	2364	2829	1306	0	823	5725	2093	9168	0	0	0	66940	3916	0	4403	0	9903	0	7374	0	2335	989	2906	0	0	2962	3449	2716	367	2024	0	3091	1416	1594	2652	2036	1846	5680	2246	6503	0	4799	385	0	2544	0	5596	0	1296	3567	2320	3406	877	2455	0	1538	0	0	0	0	1807	1607	1206	203492	3544	489	0	0	3366	0	855	5344	1256	5671	129274	27056	6850	14721	0	1450	2075	2947	2547	5452	6140	0	2011	0	0	6754	14976	807	0	7281	Peptide	0.33333334	2.3333333	0.6666667
2	C6 H14 O2 N4	175.11896	175.11928	-0.04964261	175.11894	0	0	0	0	0	0	0	0	0	0	885	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	381	0	0	0	0	0	0	0	0	0	0	0	0	0	30897	0	0	0	0	0	0	0	0	0	0	0	1056	0	10032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	2.3333333	0.6666667
6	C11 H14 N2	175.12297	175.12323	0.059668347	175.12299	7570	8745	8040	7261	0	955	1160	17357	0	8156	10493	1965	0	1059	6312	77174	6926	652	893	12138	10390	0	9797	96970	12688	0	2532	22709	6821	7600	9817	8237	5684	8631	6000	7263	7810	4956	4555	3831	862	1052	0	0	0	5475	2145	0	11315	10123	8509	8273	909	0	0	0	390	52031	0	0	57550	1555	0	0	494	0	957	15329	0	2928	0	13378	8096	6367	8474	7889	0	2718	11385	2924	9626	0	0	4396	0	0	12342	3667	1583	204908	6219	0	163196	510	2525	0	8689	6921	0	0	0	6653	2096	0	0	72261	0	0	4600	0	Unclassified	0.0	1.2727273	0.18181819
2	C11 H14 N2	175.12297	175.12325	-0.08496182	175.12296	11321	13569	13546	14099	900	0	10337	25904	294	7536	2914	9764	805	5453	7843	60097	30764	2408	3475	6814	4793	7685	5308	56691	25583	678	11157	5813	25690	32810	23708	32555	20442	0	3599	39178	21648	5740	35208	1288	718	0	0	0	0	3850	1162	0	27051	32935	13771	11306	1367	0	543	376	514	52952	0	0	45591	482	0	0	0	1310	3435	34829	0	3579	1407	37170	34047	57587	32421	35019	0	10199	12570	2112	6549	0	0	1774	0	914	17874	3534	3124	97380	5996	625	109402	1061	3001	0	13026	13212	726	0	0	16263	6490	1507	531	76516	533	0	20692	0	Unclassified	0.0	1.2727273	0.18181819
0	C8 H18 O2 N2	175.1441	175.14438	-0.09198334	175.14409	4276	4289	5395	5048	7235	0	1833	8111	5284	1632	0	1609	12483	15066	3574	2471	5144	11669	6384	0	2276	13967	10709	3888	5440	0	0	843	21743	0	9215	5769	50693	12008	3148	5153	19163	3197	7255	1460	0	3699	0	0	0	3304	0	0	8353	1590	4903	3817	7354	1241	11213	1201	0	27622	743	0	2915	0	7991	2639	1896	8204	19451	6056	0	2068	0	3239	6608	4574	0	4872	0	2462	7782	1272	6946	0	0	0	3666	2118	8714	6649	11810	13919	3728	3760	24046	0	0	733	4070	5212	1348	514	0	5085	2241	0	0	28944	1087	508	5923	21394	Peptide	0.25	2.25	0.25
20	C13 H18	175.14813	175.14833	0.024697402	175.14813	104790	116567	106490	95956	97863	78540	262934	88439	74420	62572	71235	72640	79199	185768	83447	133155	205292	77370	106207	70951	81667	111715	70736	71500	86002	109900	280451	88629	88199	83643	63634	94973	102650	77320	65036	86675	97340	83961	184694	46368	86778	92203	19409	6764	6317	53334	118263	9373	83149	72946	113519	111993	79668	11036	62774	106273	98478	130369	47208	108407	109379	38825	83183	63754	122678	91666	109637	190925	54753	66182	88537	65808	75578	98220	165536	102797	10489	50930	129023	149983	80145	71169	203396	231345	118546	117136	186566	87427	80658	440872	186578	144069	170133	72991	85715	9229	108606	115536	116333	147291	174577	116825	64617	88678	56201	91331	126204	7837	100038	72166	Lipid	0.0	1.3846154	0.0
24	C13 H18	175.14813	175.14832	-0.016407996	175.14812	140973	157247	134732	142887	154238	95721	390198	129418	92898	92118	102959	98590	112681	290195	118300	181623	230732	123107	168775	116520	109110	113679	104680	110836	118267	105789	336403	149690	113913	126441	87807	136283	133499	103890	95449	142222	125881	119693	220079	75937	91469	102257	21613	9676	13581	85430	108855	11536	128795	114364	133488	133656	122617	14785	118893	105817	105988	189075	78325	108297	164023	49424	146953	82961	176477	142079	161924	222855	68066	65138	92986	67671	87604	123185	154652	121191	15652	81004	164911	245433	109161	118704	178141	181929	143477	113965	225661	88343	115282	473688	334528	262945	234101	106572	132624	13315	144249	156754	110727	140262	152625	164531	87427	126883	94838	123850	106928	11304	150748	100343	Lipid	0.0	1.3846154	0.0
14	C13 H18	175.14813	175.14835	0.047112904	175.14813	11354	12860	14569	13959	12340	6462	24768	14354	6545	7697	8461	10211	7744	15563	8164	18424	20163	8947	12955	9029	5410	19469	10054	12117	10027	13390	26196	0	7821	13618	9440	10822	10829	8547	8724	12923	11289	7882	26455	5500	10212	11546	0	1469	1326	7639	12519	2737	14270	13422	14786	12315	13778	2895	7624	10443	11430	21213	0	10886	0	4410	9448	4916	11064	12160	10532	21733	0	6079	7346	7298	9187	11765	17016	17298	1694	5978	17337	0	10576	7843	22806	22943	14292	11055	23879	10665	7940	67334	18818	17777	33548	7637	11854	2194	16383	12324	11793	28770	27543	15676	9194	11181	0	17737	12731	1373	16729	9571	Lipid	0.0	1.3846154	0.0
12	C13 H18	175.14813	175.14835	0.04218204	175.14813	7821	7390	6069	6485	8449	0	8943	5887	3738	2400	0	2836	4097	6470	6639	11929	7683	3772	6931	2508	4118	8300	4217	5653	4978	4880	6480	0	4730	6433	3815	5648	3377	3062	3898	5384	5535	5234	6474	2226	3737	4221	1412	1691	1456	5069	6064	2342	5783	4524	6982	9078	5942	1713	2125	4948	5940	9260	0	0	0	0	1557	3063	3209	3634	4921	10363	0	1570	3766	3279	3179	7280	10568	7810	967	2112	5196	0	5052	5590	10184	8754	6325	5082	11086	4098	3151	38402	10806	6532	10303	0	8049	1735	7956	8261	5939	12906	11101	7965	5344	4240	0	7155	6963	1570	5852	2882	Lipid	0.0	1.3846154	0.0
22	C13 H18	175.14813	175.14832	-0.013281027	175.14813	145872	171344	120357	138635	163060	96435	467710	127095	97996	90236	101694	88583	91729	281432	108626	179227	269641	115942	105048	103472	108216	126744	101128	96285	125792	109166	495274	121292	114096	118051	91243	145268	141522	98693	93288	139481	131161	116497	252809	61112	99277	100736	26553	9335	9105	80013	131595	11059	130912	112748	149719	134266	124043	11861	98552	131769	108969	215669	68147	143949	160979	50292	143973	87321	211584	150070	177560	274872	58005	79780	89069	68227	82215	122404	153004	141504	11511	74700	165959	218430	119923	114405	226866	251412	186946	143810	231140	109363	106671	512955	288941	219153	200758	105271	131658	12204	128786	155042	126179	244001	236088	164549	91392	117046	80859	127099	149867	8583	154863	98216	Lipid	0.0	1.3846154	0.0
26	C13 H18	175.14813	175.14833	0.017132156	175.14813	68297	76362	65916	71776	69702	40306	166589	70993	61315	31644	57473	58142	52408	91119	71571	85679	110099	51377	78436	51534	47598	59690	54281	50726	67973	64521	166399	90605	66840	76617	57060	76218	80380	49171	54268	87610	73526	78074	127016	47896	46878	57399	9014	7841	0	41494	36444	9621	70037	63943	77744	66308	60443	11591	65082	60520	62352	113675	44413	51448	91137	31736	58184	46838	76764	54834	84919	139584	46100	47888	50826	35341	43331	75170	81818	83096	0	44231	93870	106037	61048	61071	78859	69971	82788	65467	160177	50168	57541	221931	160183	115055	120655	48918	47568	9851	68486	77928	61464	89820	107842	98541	56810	64516	45087	65981	70117	7110	91165	47903	Lipid	0.0	1.3846154	0.0
16	C13 H18	175.14813	175.14835	0.018168597	175.14813	21701	32934	19212	28352	26628	15837	66946	23700	19282	9201	13327	17967	18796	41939	17300	40815	50614	19699	23851	19311	18345	29171	20599	22243	23055	32211	63749	15499	18625	22169	21792	25700	29575	20491	18598	27393	27429	18298	50988	14939	26880	21295	4066	1622	2054	18219	24525	2702	26044	26497	26626	25223	25656	2234	16011	25483	21556	45957	9545	25086	33019	9115	23941	13100	26007	27396	26548	53876	13026	18761	26555	12822	21806	27059	42860	24448	1439	13652	33355	30831	23533	20280	59341	79001	32251	18992	44697	24123	22568	129177	41438	32223	39731	18726	24146	2583	33055	24955	26043	42815	54005	29726	15333	19414	9930	26707	31375	1612	26799	16575	Lipid	0.0	1.3846154	0.0
18	C13 H18	175.14813	175.14833	9.33408E-4	175.14813	63623	78782	56323	57217	53525	40390	143611	58425	28032	33331	34373	35409	43690	97177	43022	73796	109870	45564	59066	50634	41099	84458	53982	45774	44895	62501	138716	32937	55009	45532	41346	62363	60868	37878	30895	48822	47619	47306	123401	27806	53049	49010	8504	2922	2685	28516	52361	3482	56997	46200	64357	60914	49666	4464	30604	54244	44884	105153	24107	58083	68702	19299	54393	30848	66373	54434	67654	138111	37613	37606	57802	28552	35937	49480	88391	51289	2641	22776	95929	79173	46873	40351	105901	140072	57554	48356	101456	45929	47068	320305	103816	91611	207099	36528	53840	3561	62015	65238	49545	78902	87065	67034	32712	40241	21411	55871	45943	2576	69167	31900	Lipid	0.0	1.3846154	0.0
28	C13 H18	175.14813	175.14833	0.008333275	175.14813	25914	26034	20030	20325	24079	16255	47034	31131	18670	14147	17927	18563	19341	26905	26038	31612	40505	19167	25655	19060	13935	20979	26637	19808	26610	22844	43139	27232	26712	31232	21878	31937	30320	20202	14913	38078	20471	31596	39185	15525	18490	22185	7426	7405	10713	13551	16492	7824	25041	28445	24220	22107	21264	9966	20585	23293	21692	36975	16394	19652	34762	13911	16873	16291	21238	22984	28613	40983	24457	22351	23511	12099	17482	30105	22295	26481	8608	17439	34463	33435	21030	17470	20083	21140	30916	20594	61263	15368	19830	56800	46429	37777	39180	19706	17537	8245	23115	23597	21057	36014	51261	31218	20679	23913	13447	28927	31238	7332	27387	15462	Lipid	0.0	1.3846154	0.0
0	C6 H9 O5 N1	176.05534	176.05563	-0.11526263	176.05533	3881	5023	3634	4937	11601	15165	1733	9406	6122	1121	0	3181	34513	9923	1936	0	2245	19411	11127	0	2746	5814	4903	7575	3007	0	0	498	12712	0	7580	7364	19275	21594	3445	7972	11604	1724	2055	1256	0	5533	0	450	726	3208	0	379	6794	5034	4290	4597	13346	882	6358	4116	1415	14092	883	565	5290	0	34673	6123	3340	18015	12433	2338	559	0	0	20081	13726	7229	0	7884	522	3419	2518	1071	1993	1018	0	0	4861	2366	2728	15490	10925	1522	3862	2467	6839	0	0	628	2989	5210	2914	3678	3437	5792	2227	0	0	11004	4205	550	1947	47738	A-Sugar	0.8333333	1.5	0.16666667
2	C6 H9 O5 N1	176.05534	176.05563	0.010365475	176.05534	8746	8752	8475	8003	12882	22473	5360	14513	6999	2282	1554	7777	27555	9711	5664	2711	8166	29083	17492	3428	3994	9254	7126	17411	3715	496	1728	0	18177	8194	14307	14523	22031	21041	4145	15351	18013	5454	8270	1521	1014	8766	891	493	632	5814	1619	749	15535	6441	11185	8809	11680	768	9914	5508	3436	18113	1768	1323	9227	446	19855	7252	3647	25249	11941	9258	0	1728	750	24365	19407	14869	710	14249	617	7037	5647	0	7199	1382	916	639	7770	4268	7944	19834	16443	9447	4562	5743	14756	1195	854	1060	9404	11085	3709	5119	11146	12040	6470	3592	1109	12656	5475	669	4736	23518	A-Sugar	0.8333333	1.5	0.16666667
4	C6 H9 O5 N1	176.05534	176.05562	0.034157407	176.05536	5885	5866	6465	6067	8922	9934	3112	7062	15798	0	0	2139	30609	14275	5886	3149	4328	12191	16444	2383	1167	5658	5178	8280	15087	298	2238	0	11697	2667	9403	7398	11028	6869	4302	5791	6367	3196	7167	1415	407	5302	816	839	875	4178	0	867	7820	3949	6047	5491	6797	1561	23258	7914	3564	10016	1715	666	5714	0	31176	5511	2875	13456	9640	6749	0	2885	0	7772	4857	6070	1089	4364	502	3272	3544	0	4293	1250	1220	691	5117	6112	5686	4657	9244	4893	3697	7813	7966	643	0	1677	6424	6318	3828	3179	7515	4039	2495	2048	0	6306	3769	1554	3578	24547	A-Sugar	0.8333333	1.5	0.16666667
10	C10 H9 O2 N1	176.0706	176.07085	0.08282555	176.07062	20584	20618	13212	13221	20860	21381	20508	18158	14564	7170	12916	15535	14356	22420	17581	30763	30433	22449	20610	9628	7493	17849	14511	22672	20459	3704	27320	10934	18071	17319	19936	24308	33666	19185	9654	15456	28584	15717	37765	8475	10138	20289	7139	5968	5637	9674	7760	7387	17072	14682	15264	17991	18364	5319	16382	12874	11764	27554	6016	9519	23817	4345	15623	11581	16812	20205	18885	43039	0	5006	6675	16852	17470	15406	22185	18162	5749	10740	18113	9990	18346	11918	8117	5882	14327	16099	23212	24365	23606	34622	9130	8070	28392	8064	7903	7187	17766	15549	12775	13921	15109	28182	16082	8313	0	16485	14919	7251	18366	18684	Phytochemical	0.2	0.9	0.1
8	C10 H9 O2 N1	176.0706	176.07086	0.042558536	176.07062	17036	18024	11224	16858	13663	10294	16018	13734	15730	6628	15763	13710	12319	12201	16655	19749	26448	15638	18694	7935	9305	11933	15007	15777	13375	4652	16803	9083	16269	11331	16287	18009	22524	14618	10429	15098	18424	15174	36263	8388	8536	15356	4510	4852	6028	10317	7262	7106	19938	12922	13656	13332	14130	5210	13745	10385	13996	17847	6562	7651	13048	3596	11544	11931	12353	20020	17650	28519	6372	5163	5107	14448	12281	9603	14187	19288	4617	11654	17585	8492	15880	11846	8735	5133	11331	11353	23896	19341	20748	33434	25666	23464	27342	8581	5371	6057	14004	17956	14114	14960	15157	23621	16810	7577	0	18526	10981	4639	16703	16592	Phytochemical	0.2	0.9	0.1
14	C10 H9 O2 N1	176.0706	176.07083	0.05569085	176.07062	11910	15879	11064	15360	17087	11367	12268	10595	9089	9218	14921	11210	9766	14320	10403	15295	16964	10344	12309	3500	5610	8511	8210	15315	11322	2260	15285	39267	9510	8443	11717	7790	17257	15955	10578	9085	10692	10303	12600	7716	6148	11014	4503	5582	4735	7014	6110	6767	15745	11324	13258	11300	14621	3776	9077	6460	11199	19379	0	5404	0	2969	7522	7367	6843	18500	11187	19522	0	3352	4715	12704	11283	8673	6037	13953	4165	8912	13610	23047	9890	5877	5778	3631	5920	7624	18226	17587	14259	35486	49314	35197	18150	8063	7997	6685	10961	7841	7806	8845	8197	15980	12590	9867	0	22160	5889	4642	14780	9886	Phytochemical	0.2	0.9	0.1
12	C10 H9 O2 N1	176.0706	176.07083	0.058201723	176.07062	18473	19015	21534	21122	16609	13451	15704	20540	13078	5828	7413	10006	10413	17292	14052	39708	25825	20803	21392	9919	4575	17581	14272	42120	15146	3814	25071	9041	19891	31754	17403	33242	29746	28191	6771	28631	34909	14777	26316	4923	6013	14839	4173	5643	5391	7493	8979	7675	27552	25460	21623	23570	14540	4684	14379	10601	10901	35454	0	0	32564	0	16693	8174	9114	19580	12006	31161	0	3218	6731	25004	19041	19897	32297	29842	3725	9652	20472	0	18921	9641	5290	4667	8628	12636	19518	22351	19410	47122	18567	13028	35445	5825	7192	7296	23425	20731	9426	11102	8552	35728	13913	13734	0	30513	10146	5870	18781	17775	Phytochemical	0.2	0.9	0.1
14	C7 H13 O4 N1	176.09174	176.09198	0.07971281	176.09175	2409	2037	2327	0	0	2860	0	1513	0	1848	3426	3600	1474	1520	3038	2456	0	2226	1750	0	0	0	1274	0	1844	0	0	42193	2199	2338	2694	0	1750	2800	0	2172	0	2045	0	0	0	0	0	2087	2097	0	0	2253	0	2072	2141	2556	0	2284	2074	0	1285	3337	0	0	0	0	0	0	714	0	0	0	0	0	0	2318	2948	4759	0	3459	1974	6025	2311	0	1920	0	0	0	0	0	1807	0	0	0	48189	37201	4022	0	0	2100	1867	0	0	0	0	2037	5767	0	0	1554	1429	2102	0	0	Peptide	0.5714286	1.8571428	0.14285715
8	C7 H13 O4 N1	176.09174	176.09196	0.03210503	176.09174	8139	11063	7859	9529	5003	11828	4675	8606	3148	2406	0	4173	6015	13889	8129	3537	2621	5117	5553	1114	0	2613	5162	5825	5267	846	3836	23989	7560	3812	5410	5813	5556	5103	1537	4932	7273	5629	5320	0	803	5530	1747	1725	2078	1864	0	1647	4190	4400	8439	8142	4745	2328	3732	2239	3885	4443	1675	2162	5203	1131	5441	4719	6699	5569	4564	5000	0	0	0	5357	6102	7294	2610	6205	1747	4595	3494	12592	3828	2792	2102	1070	2547	0	2916	3302	6328	4811	315107	327771	5610	5037	2239	2062	8466	7567	2180	2492	0	5248	5179	0	0	5062	2924	1865	3261	4371	Peptide	0.5714286	1.8571428	0.14285715
10	C7 H13 O4 N1	176.09174	176.09195	0.05955934	176.09175	4646	3779	3686	3661	3029	5065	2701	5832	1879	0	2250	2773	3240	11687	2989	2772	2758	2934	3849	0	0	2316	2979	2390	3268	0	1773	13297	3615	2181	2006	4180	4657	2810	0	4466	4300	2796	2306	0	0	3317	2353	2966	2401	0	0	1738	2410	3812	4755	5770	2027	2680	1622	2175	1703	3901	0	0	0	0	2655	0	6444	2916	1914	1643	0	0	0	2988	2952	3898	1549	3908	2312	1790	1893	0	2936	1716	1658	0	1482	1713	3574	2407	2839	0	153453	176259	3071	2809	0	2062	3174	7621	2305	1985	1785	4272	3270	0	0	3529	1926	2029	2523	2951	Peptide	0.5714286	1.8571428	0.14285715
12	C7 H13 O4 N1	176.09174	176.09193	0.120916456	176.09175	2346	4832	3522	3489	2291	5003	2154	1935	2577	0	0	1355	2071	1820	1882	1778	0	2435	3116	0	0	4842	1775	3387	5192	0	0	9505	0	1522	2504	2580	1900	1821	0	2450	2079	2200	1644	0	0	1836	1134	2045	2096	1382	0	1881	1498	0	3388	2800	1937	1631	2481	1484	1621	3633	0	0	0	0	1555	0	1419	1951	2168	0	0	1292	0	1592	1670	2104	0	2655	1469	1268	1120	0	1292	801	0	0	992	761	1832	1752	1369	16023	51537	83462	10171	0	0	1767	2214	3587	1211	0	0	2937	1727	0	0	2250	0	2305	4355	0	Peptide	0.5714286	1.8571428	0.14285715
18	C7 H13 O4 N1	176.09174	176.09184	0.062087346	176.09175	0	0	0	0	0	0	0	0	0	0	1540	0	1721	974	0	0	0	0	0	0	0	0	0	0	0	0	0	53002	0	0	0	0	0	0	0	0	0	0	0	0	0	1211	1828	1448	2484	0	0	1590	0	0	0	0	0	2205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2134	1081	0	1748	0	0	0	0	0	1238	0	1307	0	0	25856	12710	0	0	0	2078	0	0	0	0	0	0	1508	0	0	0	0	2378	0	0	Peptide	0.5714286	1.8571428	0.14285715
0	C7 H13 O4 N1	176.09174	176.09203	-0.18194959	176.0917	48362	56130	48849	51535	146668	484369	11247	141153	93782	25211	3732	17016	427440	264802	36212	15229	10473	225743	219616	39758	71024	168928	79744	96835	101357	1284	1946	8536	256563	27928	200295	99024	382262	132055	393170	84019	165777	36200	15234	45733	2054	92086	6060	5039	6185	58963	3295	9349	117577	37700	53727	49879	177429	41168	103349	40914	16453	211541	34113	4064	45052	2224	394525	69165	21193	164566	234119	12781	2338	70760	3613	132539	126064	78660	0	94515	1123	56715	22238	7069	18471	6224	11146	2554	19928	18687	32402	69986	100498	24495	0	252242	105345	6283	7445	16012	52437	52990	33142	21596	17555	61930	45095	33927	4587	185925	26373	7662	23965	498955	Peptide	0.5714286	1.8571428	0.14285715
16	C7 H13 O4 N1	176.09174	176.09186	0.05604922	176.09175	0	1797	0	0	0	0	1169	0	0	0	2315	0	0	0	0	0	0	2717	0	0	0	0	1262	1841	1528	0	0	58173	0	0	1438	0	0	0	0	0	0	0	0	0	0	2537	1363	2129	2178	0	0	2284	0	0	1780	1659	0	2319	0	0	1214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1971	0	0	1653	2383	0	0	0	1107	0	0	0	0	0	0	0	0	0	20573	25729	0	0	0	2389	0	0	1084	0	0	1675	1202	0	0	0	0	2125	0	0	Peptide	0.5714286	1.8571428	0.14285715
2	C7 H13 O4 N1	176.09174	176.09201	-0.049079437	176.09172	29378	32087	25818	26638	36304	59251	12595	32368	17426	8624	5711	16209	60149	41143	17275	18655	32555	54177	47233	11164	10530	21355	19115	31751	12282	1394	16578	5771	43335	26652	39013	38531	56400	48897	22181	33442	39379	16207	28990	7145	2100	27402	5376	1327	1410	12033	3458	1442	43369	21487	23628	29476	33153	2731	19787	10695	12112	42041	4797	3223	23474	1511	40985	13104	17566	53756	40752	32876	1929	4940	3094	46208	52651	37664	13826	32728	1500	15413	14895	4091	14356	4555	6045	3812	15876	22153	18829	48591	43415	27520	23738	27018	31362	3775	3225	2997	29763	27015	13615	10365	12212	36916	14768	14873	4320	36474	10364	1347	15991	62073	Peptide	0.5714286	1.8571428	0.14285715
0	C6 H13 O3 N3	176.10297	176.10324	-0.115750015	176.10295	0	0	0	0	0	0	0	8622	4005	0	2953	0	5008	0	0	0	841	0	15190	0	0	1932	0	0	3124	969	0	450	7433	0	3262	0	4784	2128	3402	0	0	1689	1889	0	0	0	0	399	944	0	0	2817	0	0	0	0	1042	2546	1878	1085	0	1523	529	2606	0	953	0	0	2820	0	3145	2433	5985	0	0	0	0	0	0	0	3025	0	2715	1179	18067	1243	0	0	1736	6571	1901	0	0	21066	1701	2079	0	1570	0	1433	0	0	2399	1306	6099	0	0	0	4571	2470	15887	1600	1809	3789	Peptide	0.5	2.1666667	0.5
6	C11 H13 O1 N1	176.107	176.10725	0.084781244	176.10701	9549	6912	7933	7672	6351	4486	6445	9573	3610	9580	10300	4459	3228	4235	5342	12011	9354	7702	10206	8301	7977	5359	5512	7146	5367	2348	8129	16807	11900	6113	11522	12969	20310	11952	8275	8782	20500	4797	17546	4338	3292	6305	962	959	842	4712	5141	955	10373	6820	8876	8119	6637	963	3125	1446	2965	13083	2697	2274	13904	2454	4303	2608	2467	6652	8516	14682	0	2905	3068	8388	9448	7979	9709	11574	680	5567	4299	0	4807	3297	2642	2132	2876	3264	4346	9136	8478	10153	4610	2230	10120	2861	5072	1010	7971	6421	2626	2456	3425	17603	6642	4272	0	12318	2821	809	5087	6194	Phytochemical	0.09090909	1.1818181	0.09090909
2	C11 H13 O1 N1	176.107	176.10727	-0.031287204	176.10698	14084	16043	10702	13793	6453	0	12271	19820	4844	29296	14957	10100	4774	6261	10220	54688	18637	9150	10841	21697	18418	12319	9065	19414	9822	8631	18955	19365	20601	17101	17296	21729	24295	17319	22181	21561	22379	9784	20294	10252	9405	7532	1004	970	1145	8574	9524	1116	22943	17412	12515	13522	7564	745	4714	2426	4705	27315	1124	3837	31419	3805	6368	4486	3319	7669	9904	22004	4764	10475	8556	16844	20036	24278	43430	21724	716	9818	8746	5509	6845	3814	3575	8333	3209	3764	11080	8553	10763	20342	12483	4102	21624	5151	14435	1556	12602	13495	5395	3960	3957	24432	8997	15008	4918	16098	3750	991	9071	6833	Phytochemical	0.09090909	1.1818181	0.09090909
14	C11 H13 O1 N1	176.107	176.10721	0.041991357	176.107	7819	5185	6584	7091	2704	2373	5743	6888	0	2899	2899	35836	0	1522	7604	13020	13807	2265	4205	2633	2915	6587	2667	0	5485	1640	5973	0	4664	7129	27534	7174	7073	10256	3721	6756	6981	6691	19425	5361	7322	2433	0	1022	845	2033	5315	953	16089	8263	6526	8833	5106	1022	0	1825	3816	15015	0	5449	0	2292	0	1297	2114	0	2483	19757	0	1640	2520	12510	5903	5645	8134	8243	889	19018	4028	0	2471	3201	6540	5945	1401	0	4661	5125	5931	12962	7224	3140	9652	3626	3805	1047	5576	3640	1368	1343	1433	7311	18766	4678	0	7044	2658	952	5592	1699	Phytochemical	0.09090909	1.1818181	0.09090909
16	C11 H13 O1 N1	176.107	176.1072	-0.009971832	176.107	8394	9592	7261	6227	3833	3964	9497	17337	1688	11914	16721	30533	0	2585	35136	25094	33340	2173	2605	10944	12555	7681	4299	7047	5710	3244	10032	13229	8817	11985	73448	10188	9909	10289	10445	10409	8218	35729	37325	12818	15422	5546	1576	1095	1034	8033	8676	1019	23534	14396	9576	8253	3785	865	0	1386	2995	20138	3341	14727	19524	4609	1775	1384	2563	2059	5389	63920	0	3424	3881	13289	9601	16800	12267	11924	850	22260	2668	6900	6289	8902	7372	7805	0	3107	5806	3797	4560	0	12857	9626	0	5538	6244	1307	9179	6172	1827	1393	2763	10963	34274	9783	5242	0	1995	881	9640	1845	Phytochemical	0.09090909	1.1818181	0.09090909
6	C10 H13 N3	176.11823	176.11845	0.04607246	176.11823	8777	8962	6866	7097	0	0	1616	5815	0	1722	1846	833	0	0	7460	19626	4188	0	0	837	757	3278	6791	12465	42713	0	2013	2866	1672	837	1561	0	3528	1747	0	975	4771	6189	1341	1934	952	638	0	0	0	2878	3873	0	4981	1176	7450	6264	602	0	0	0	0	16012	0	1463	17531	0	0	0	1601	0	0	6890	0	0	0	2161	1250	0	1781	983	0	1275	129818	0	24311	0	0	1805	0	1483	83665	4414	3233	192128	14348	6951	175838	2095	2598	0	5597	5804	0	0	0	3102	940	0	0	34812	0	0	19849	0	Unclassified	0.0	1.3	0.3
4	C8 H17 O3 N1	176.12811	176.1284	0.06653491	176.12813	840	799	1109	1205	1800	718	1240	599	1357	0	0	0	386	1004	547	952	1295	1265	907	0	0	0	806	347	5809	987	1901	0	0	645	732	0	413	0	0	0	0	786	1490	0	0	1162	0	0	0	0	0	0	0	0	790	979	1298	0	566	1170	4131	711	0	475	0	0	402	522	2523	1057	958	0	0	0	0	671	0	446	0	0	0	342	4402	0	0	0	2026	6664	1554	1873	3905	1400	473	1254	0	0	1017	0	0	0	1576	1138	1346	0	797	604	0	0	0	539	45905	0	3592	579	Lipid	0.375	2.125	0.125
8	C12 H17 N1	176.14337	176.14359	0.025964407	176.14339	2646	2121	1338	1502	2036	772	0	0	0	4260	4467	0	0	1256	0	0	0	911	0	1707	2063	0	0	0	836	706	1112	8652	0	0	758	0	0	867	6199	0	1785	728	0	0	0	178812	881	792	577	0	2679	959	0	1154	1373	0	3824	1299	0	0	1528	0	0	0	0	1472	1009	0	1671	3372	1171	0	0	0	0	933	0	0	0	1171	819	692	0	0	0	0	0	2661	0	0	0	2571	788	1905	0	0	1265	1687	2725	855	1171	1052	0	0	0	0	0	0	0	2360	0	726	0	0	Lipid	0.0	1.4166666	0.083333336
2	C12 H17 N1	176.14337	176.14366	-0.00680532	176.14337	23645	23646	22105	19805	1753	0	10728	37382	1573	12036	6449	7346	604	1686	7237	89791	37447	7850	16202	12861	9596	11898	6139	77586	26554	1311	20858	9831	40060	36244	28318	59055	24176	50309	9379	56860	36706	7371	36295	1597	720	7864	613	518	698	7118	2102	461	46816	32400	18884	22876	4578	531	1012	501	2086	66024	376	484	62391	1100	672	1482	4495	3443	9372	46154	868	3437	1756	31055	49587	73035	46629	40797	594	9637	21831	4092	9505	900	590	2132	1378	3678	23046	25024	31497	95960	19870	970	149131	2153	4399	867	20159	23033	989	0	834	29685	6431	5595	1508	61075	1004	648	17384	1455	Lipid	0.0	1.4166666	0.083333336
4	C12 H17 N1	176.14337	176.14366	0.022896834	176.14339	20701	24725	26586	24591	2529	2978	19525	31095	1815	9812	5273	16132	1598	3285	7327	40027	33614	5630	11164	6855	6394	5440	4675	32315	10433	993	21489	9281	53991	55788	47205	107057	59888	94470	8943	97459	53290	9604	33559	2609	1051	4913	755	571	687	4200	1377	820	49033	29155	24581	26626	4373	726	2175	846	2099	44665	410	0	35590	1057	1546	3196	4569	5195	7541	55151	1092	3637	3853	44972	120107	193642	69986	79061	581	16112	10446	0	9435	798	987	2094	2198	3793	17127	44017	31339	70721	13397	0	57216	2306	3319	875	23220	25772	1008	1004	1220	43163	15111	1738	0	33781	818	779	12529	1800	Lipid	0.0	1.4166666	0.083333336
2	C9 H21 O2 N1	176.1645	176.16478	-0.014006106	176.1645	2414	4506	2636	3947	833	0	0	2883	701	897	0	296	1217	1576	0	16435	2601	4236	7920	953	555	10719	812	25848	5207	0	2049	0	2070	2685	1563	4270	10703	4880	1574	2879	10519	0	2393	953	0	0	0	0	0	3166	0	0	4975	1547	3444	3402	436	0	0	0	0	15091	0	0	66335	0	813	372	0	1740	963	4546	0	297	0	1753	1706	480	8003	1379	0	329	1308	0	1073	0	0	0	0	264	724	725	1447	4516	0	3526	19882	0	7143	0	4367	2073	0	0	0	18824	0	2365	0	17229	466	0	1586	1339	Lipid	0.22222222	2.3333333	0.11111111
0	C3 H4 O3 N4 S1	177.00769	177.00815	0.61742675	177.0078	0	0	0	0	0	0	0	0	0	0	2422	0	0	0	0	0	1241	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	840	0	48847	0	2645	0	2510	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9086	2487	0	0	0	0	3112	0	25845	0	0	0	14168	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3234	0	0	1801	0	0	0	0	0	Organosulfur	1.0	1.3333334	1.3333334
4	C7 H4 O2 N4	177.0407	177.04099	-0.04306149	177.0407	1931	2430	2328	1840	1692	41048	1023	1710	7365	0	0	524	997	11314	0	2550	934	7871	16805	0	0	632	1292	10383	3938	0	1410	0	2786	2329	19214	1556	8826	0	0	1529	4163	0	1530	0	0	1640	0	0	0	2024	0	0	5794	1017	3367	2459	4983	0	692	0	3438	5676	0	0	2648	0	0	2251	5152	8991	14496	1667	0	0	0	620	1472	695	0	654	0	0	2048	0	1993	0	0	0	1509	14227	1055	2397	2348	0	0	0	3445	0	0	0	2155	3444	804	0	553	5484	384	0	0	4711	433	0	3209	3183	Unclassified	0.2857143	0.5714286	0.5714286
8	C8 H9 O3 Na1	177.05222	177.05235	0.3441116	177.05228	0	0	0	0	805	1762	0	0	0	0	1093	0	0	1353	0	0	0	0	0	0	0	0	0	0	0	0	0	2346	0	0	907	0	0	1353	0	0	998	0	0	0	0	0	0	0	0	0	0	646	1004	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	915	0	0	0	0	1175	900	0	26430	2067	0	0	0	0	0	501	0	0	0	0	0	0	620	0	0	0	0	0	0	520	0	0	0	0	0	0	0	0	0	0	0	611	0	0	Phytochemical	0.375	1.125	0.0
6	C8 H9 O3 Na1	177.05222	177.0524	0.28337052	177.05226	0	0	0	0	0	0	842	0	0	0	0	0	0	8967	0	900	0	0	0	0	0	0	0	0	0	0	1346	0	0	0	0	0	0	0	0	0	0	485	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2657	0	4742	0	0	0	0	0	0	0	28874	0	0	0	0	0	0	0	0	3822	0	0	959	0	0	0	0	0	0	0	0	329	0	0	641	0	0	0	0	0	0	0	437	0	547	0	Phytochemical	0.375	1.125	0.0
14	C10 H8 O3	177.05463	177.05486	-0.003902276	177.05463	162065	182128	126231	160100	264854	190979	132704	140582	221303	87195	95748	107091	280774	218327	146721	152019	139863	290403	239692	117563	102865	138829	149075	138027	142023	60107	127047	119780	150460	131099	122532	170316	196381	133660	118015	143801	167720	130086	140333	82055	74383	165746	73943	62811	62771	90607	65253	84685	134330	103899	138082	146082	204375	61107	234187	161875	152333	207653	91918	74872	153319	60612	271103	203864	132097	315756	197319	133621	62412	72614	77203	125153	136823	140485	91010	168678	60286	109725	148025	120898	151983	99220	83719	65637	180948	136448	178800	162057	211287	154105	447827	433574	173342	80241	90335	89385	153166	146307	176099	198858	199614	155285	138085	91850	66917	167329	134005	68534	129627	246668	Phytochemical	0.3	0.8	0.0
20	C10 H8 O3	177.05463	177.05481	-0.04271802	177.05461	811291	804466	774051	681914	661841	223114	142113	363121	98132	154220	145589	176665	585483	381938	184021	234469	1880974	526735	187295	162201	903656	862208	125899	579372	85325	162429	181896	250522	295799	388784	666102	473593	1810182	288025	779969	573705	1276647	110336	1471473	162437	1980520	771687	302702	219513	212151	241298	15274579	258487	362174	385961	844831	843677	674014	894009	90903	186128	480246	317166	150898	1698071	271599	148437	579522	590779	470147	1017964	188520	2110553	175316	223566	2037809	273386	270718	407945	177284	520055	435584	163512	107522	147305	96765	156571	136103	115451	304714	514642	105355	794563	194411	1216286	219490	1319749	1594379	98271	181769	249611	810645	873453	236798	257586	578919	1489674	167525	210277	138166	11550436	625141	227927	107672	449479	Phytochemical	0.3	0.8	0.0
20	C3 H8 O1 N6 S1	177.05531	177.05562	0.74497104	177.05544	0	8685	18565	8648	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5793	8694	0	0	0	0	0	0	0	8672	0	0	0	0	0	0	0	0	25450	0	0	0	931	0	0	1632	0	1007	0	2974	7147	6041	0	0	0	2467	9284	3834	1011	0	0	0	4279	2167	0	0	0	0	3247	0	18469	0	0	0	0	1355	0	0	0	0	0	0	0	0	1589	5971	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.33333334	2.6666667	2.0
4	C7 H12 O3 S1	177.058	177.05823	-0.0844388	177.05798	1141	947	610	1124	602	3324	1576	1205	754	0	1717	884	270	1035	1151	1897	1693	424	656	0	0	0	0	0	570	0	7414	20328	998	1302	710	920	1351	0	0	702	0	419	1304	958	3266	1400	0	0	0	0	1078	0	0	1089	1069	744	1076	0	352	0	537	1828	0	409	673	1213	0	1693	0	539	1202	1229	0	0	0	0	0	3169	0	1105	0	873	531	0	0	1388	601	3138	0	592	1125	517	786	946	3350	4923	688	0	0	0	951	1130	1054	368	480	843	2054	0	0	564	283	0	808	430	Organosulfur	0.42857143	1.7142857	0.0
6	C7 H12 O3 S1	177.058	177.05824	-0.00604431	177.05798	3161	2408	2418	2388	1304	21375	21646	4523	2888	3341	5115	4014	704	3708	2883	3374	9099	7613	2314	0	0	900	1851	1454	2879	0	32095	16893	2019	4950	3443	1600	939	0	884	2663	1983	4725	10916	0	0	2078	0	0	0	0	0	0	1715	3333	3632	2319	36201	0	1296	628	3807	2585	0	0	1947	0	1240	1154	2776	2021	5861	8623	0	0	0	956	1394	15044	1741	2971	0	5357	1006	0	841	2876	0	0	1421	2908	6435	939	1776	5421	0	4638	1352	589	0	0	1986	2350	1453	781	1523	2169	3796	0	0	1503	1349	0	1619	1069	Organosulfur	0.42857143	1.7142857	0.0
6	C9 H8 O2 N2	177.06586	177.06612	0.00929905	177.06586	22450	31622	18214	25185	18666	16855	26104	33190	16957	8486	13005	21219	11602	15756	29154	49217	43742	27915	32511	5863	4727	28401	28033	65108	29608	1339	32872	25650	28226	21808	29690	30614	43444	29551	6877	23804	41167	25279	64595	3373	3341	22101	1835	1799	1578	9893	2649	1780	43871	25444	24398	24604	23762	2051	12587	7400	11937	53324	3478	5389	40067	2423	16575	10676	12344	20623	23459	63933	2387	3348	3475	21697	14762	12998	19491	18495	1728	18150	33477	4359	28773	6359	5230	2536	11192	13703	40351	31807	28163	89524	7118	6492	74796	2049	4502	2199	22751	19967	9425	8776	9071	47438	24470	6820	0	68837	10279	1745	38886	23781	Unclassified	0.22222222	0.8888889	0.22222222
2	C9 H8 O2 N2	177.06586	177.06613	-0.049503334	177.06584	33942	35122	27123	32396	94892	35597	15747	36142	52823	17520	21067	23137	75135	71968	18693	25916	36979	79385	84283	8326	9267	36857	26517	31446	17511	2170	9663	9301	30955	28387	39620	38000	43286	33552	19310	31310	36685	17556	44594	7207	5234	36379	2164	2040	2035	10178	4636	2147	34069	20664	30377	33533	71639	1938	53234	37538	25093	48987	2900	6024	30972	2815	88403	49404	23013	69091	52963	47783	3264	5219	3769	33523	38960	28830	23151	37286	1613	15081	21050	4622	17215	7173	3527	3200	55796	32488	20826	69455	51501	73653	17490	21347	91153	6248	4844	3665	30782	31455	45669	66263	69242	32011	24762	8031	3735	65716	50979	1715	18185	94561	Unclassified	0.22222222	0.8888889	0.22222222
10	C9 H8 O2 N2	177.06586	177.06609	0.025780825	177.06586	10797	8692	8777	10198	12703	9335	10099	13216	3659	2821	3052	10885	4419	5598	12131	23694	12891	10022	8208	2524	2019	16100	11361	18626	14620	0	12641	3323	12132	9174	13740	11306	16600	12169	3174	11634	16919	9179	20731	1966	1883	10616	3351	6600	6277	4865	1626	6617	12595	10082	9656	10070	12726	7131	4916	2855	5066	24766	0	2249	20973	1207	5307	4092	5389	8073	13354	20000	0	2066	2138	12335	7273	4931	9395	11405	2474	7527	19184	7218	14620	3879	2561	1596	3200	6410	24979	13123	11174	58973	25862	12319	49439	2382	3132	5545	9825	8848	3823	3750	3839	14239	10200	2459	0	25609	4226	5482	15866	8854	Unclassified	0.22222222	0.8888889	0.22222222
12	C9 H8 O2 N2	177.06586	177.06606	0.054016106	177.06586	5736	6885	6807	8224	5234	5137	6608	8757	3229	0	0	4211	1175	4987	4953	14757	10903	4814	6187	0	0	6585	4424	13765	6083	0	8251	0	5744	7348	6364	8212	6594	12697	1673	7094	10804	4568	14930	1847	0	6127	2557	3100	2231	2111	0	3951	9188	6716	5166	8133	5291	3226	2683	1332	3016	16714	0	0	0	0	3825	2800	3777	4700	7086	13257	0	0	0	6663	9291	3973	7517	8590	2486	4755	5224	0	7027	2427	1944	0	1015	3688	9340	8155	6980	24005	7300	2281	22815	0	1952	2686	6196	6291	1595	2429	0	9988	7173	0	0	9275	1142	3195	8002	5405	Unclassified	0.22222222	0.8888889	0.22222222
4	C9 H8 O2 N2	177.06586	177.06613	-0.005686241	177.06586	9254	11184	9590	9096	29664	13491	7444	10470	16468	7734	10111	9253	18994	17916	8727	10109	24999	26901	25708	3911	5796	11030	12367	11130	7435	1891	7889	8473	7980	6263	8824	7540	13922	7112	8102	6798	12464	9362	28044	3878	4417	13959	1916	2093	2221	5187	4073	2729	9690	8520	11376	9420	23987	2177	14082	11443	14535	12271	2737	5164	10570	2060	26430	15479	10471	22925	12775	24238	1798	2942	2924	7501	6646	6297	6160	8092	1373	6263	10926	4539	10613	5246	4130	2965	12398	14168	11442	23028	16385	18050	13075	9899	17180	3300	4564	3402	8718	11693	14274	17616	15480	12580	10274	4884	3770	11964	11911	2346	9407	26381	Unclassified	0.22222222	0.8888889	0.22222222
8	C9 H8 O2 N2	177.06586	177.0661	0.012328801	177.06586	21239	24749	19922	18834	11519	10005	18385	27394	6520	5681	21433	17007	7173	8149	17240	36467	25361	14309	19459	3201	4844	21848	14595	35836	19159	1130	19374	46251	20353	21517	24609	34748	29783	30896	5549	25449	30771	15819	42694	3709	2375	13539	2052	1899	2092	7489	3121	2128	34708	21470	19793	20494	12118	2376	7301	4265	7159	45796	2673	3840	40992	1405	7488	8290	7513	11641	14394	37696	0	4406	1720	28567	24758	14156	20830	29238	2194	15584	18629	222277	14265	6278	4747	2888	6229	7388	26386	18604	19282	75585	84272	97310	57340	47586	3538	2558	17455	21352	5377	7078	4795	24886	18358	2233	0	35642	5766	1490	22231	9743	Unclassified	0.22222222	0.8888889	0.22222222
0	C6 H12 O4 N2	177.08699	177.08725	-0.0727243	177.08698	0	0	0	0	8446	44741	0	2905	5590	0	0	0	33461	24032	0	0	1455	12016	4305	0	2695	2482	2790	0	2328	0	0	2333	25801	0	6298	1572	42585	3474	3294	0	2020	1120	3801	0	0	2309	0	0	0	0	0	1007	1632	0	0	0	7233	1300	6588	9690	0	3869	0	0	0	0	28698	1691	1610	12563	33167	1461	0	1955	0	2428	2355	0	0	0	0	1067	2430	1904	3185	0	0	0	6232	0	5724	2453	0	1167	4044	1293	1792	0	0	354	0	0	2680	4551	5659	0	0	0	0	3465	4901	1024	0	47535	Peptide	0.6666667	2.0	0.33333334
10	C11 H12 O2	177.091	177.09123	-0.04491057	177.091	500453	442583	389021	396971	623695	376336	514901	464869	428983	325872	254090	322663	520268	529607	319876	520497	548414	711311	597197	430011	414091	369485	319904	367744	294381	336207	516069	267799	498841	461759	412875	527075	852215	440966	428406	506561	651832	311109	660422	308807	361297	455241	117076	76551	84384	284598	279755	90949	504945	357455	456115	476071	534423	73070	502776	373025	252267	645279	269258	343198	535557	168663	446710	399325	342502	637458	458603	619462	243145	304725	299961	334368	422919	466603	590647	497312	66161	267867	343603	242321	330090	304415	691238	638389	454897	350377	437395	665466	454529	495186	385020	355649	379958	249113	334839	90452	439026	474771	417910	498996	537914	778420	328136	390708	186535	353068	411552	80425	296010	505763	Phytochemical	0.18181819	1.0909091	0.0
8	C8 H16 O2 S1	177.09438	177.09465	0.112291396	177.09439	0	0	0	0	0	0	0	0	0	957	1949	0	0	0	0	0	0	0	0	1024	0	0	0	0	0	0	0	9580	0	0	0	0	0	0	0	0	0	0	1001	0	0	615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40254	0	1404	0	0	0	0	1030	0	0	0	0	0	0	3678	0	0	0	0	0	0	0	0	0	0	0	0	0	0	775	0	Organosulfur	0.25	2.0	0.0
10	C10 H12 O1 N2	177.10223	177.10245	-0.027843388	177.10223	18772	12906	16312	10742	5321	4977	22943	41792	2063	5430	5002	22222	1270	1611	14812	37664	32954	5516	6817	5907	6936	11080	14086	32305	12832	0	21224	7551	36791	40435	37924	41307	34700	45769	7155	49762	38396	14640	44089	2826	3653	11431	508	662	592	6883	2183	909	35367	42145	14562	17912	6618	901	3478	681	4743	31213	2544	4747	25821	0	1446	0	3641	4840	7722	36808	0	0	0	44566	54365	53624	36144	48381	0	20926	10175	36820	13502	2476	2712	1555	2026	3824	11707	10451	12283	33382	54040	9992	29727	5484	3136	730	16712	12676	2703	925	1147	34996	21689	0	0	28232	2904	632	18960	2023	Unclassified	0.1	1.2	0.2
2	C10 H12 O1 N2	177.10223	177.10251	-0.10352071	177.10222	64384	73388	62725	54386	23232	53849	26341	86271	14671	88954	80852	32029	10460	24201	27604	83947	81224	36038	45095	51537	43770	51472	47813	113016	69091	3653	45680	153291	91241	95157	83491	98378	109319	85152	55271	94889	97401	37843	129848	23673	17252	39198	1133	370	406	21689	14329	471	116283	76878	70994	64697	33861	516	13836	4808	16178	136119	2477	6994	74630	6568	11072	13488	18047	26137	50564	160933	2058	12824	11292	98792	94204	92293	88115	90306	374	42986	50936	411340	58537	9562	9257	17835	11772	15884	35937	57667	57783	102696	72884	42708	130435	49497	23317	769	62864	63024	15685	8090	10167	134284	28441	31812	6362	152248	9298	400	49545	16500	Unclassified	0.1	1.2	0.2
8	C10 H12 O1 N2	177.10223	177.10246	-0.05287752	177.10223	3371	7319	6021	6829	17469	4856	8254	11768	1005	3002	1143	7359	0	1628	7212	12240	13021	3230	3862	2582	0	7315	4922	16241	7756	0	9075	3268	10029	10924	9289	13402	11474	10993	2818	11386	10317	5655	17118	1720	1388	5269	514	499	335	2578	1260	602	11829	11371	6129	6265	11970	379	1430	621	3296	9038	1227	1885	10783	1675	0	2005	2543	2349	2952	17016	0	1248	0	13293	12381	10742	10664	13643	355	7589	6107	5866	5751	1572	2487	2671	1018	0	8117	6780	5376	20535	0	0	15513	2131	3113	520	4693	7268	2306	912	0	10364	8345	3429	0	12281	6940	506	8730	1170	Unclassified	0.1	1.2	0.2
6	C10 H12 O1 N2	177.10223	177.10248	-0.065815076	177.10223	37269	36689	33218	34293	2244	2573	16706	26194	1331	4054	4169	18541	604	1532	28151	90966	8181	2294	6514	3027	3723	106079	41916	143653	126828	901	14457	4202	9290	8084	12454	9007	11022	8195	4077	6465	8387	28703	10282	2489	1807	6181	0	397	493	26920	2395	609	12426	13411	35807	35251	3695	474	1983	515	7012	93915	1355	2343	0	1241	1089	1993	6243	3145	6665	23920	0	4195	0	14024	8691	5309	8493	9561	280	15134	78628	54805	39596	9807	6881	2551	1198	3940	147852	5727	6758	511365	40018	19011	412557	8236	7485	512	33601	28275	1219	636	757	7164	18917	5053	0	96414	840	474	151074	1867	Unclassified	0.1	1.2	0.2
4	C10 H12 O1 N2	177.10223	177.10251	-0.10817865	177.10222	6884	8363	8567	6801	3248	4913	7932	16607	2510	8902	6825	10335	1528	2185	8090	26737	20101	3825	3682	6601	8057	5989	8900	12924	8599	1297	7412	18203	15745	20176	14170	18640	12128	15064	10240	23619	14460	10219	22286	4126	5149	9776	720	357	387	4120	4634	633	22916	16865	9292	5158	5647	507	1746	1288	4803	18760	1316	3555	25472	2881	2115	2599	4383	2513	6167	14873	1114	2697	2889	22314	23422	18648	18214	24174	329	10061	7764	32215	6332	2398	2947	3739	1425	3213	8488	8775	8519	16790	58912	35587	18010	6804	4088	990	9021	8884	2142	1659	1377	14394	10130	3887	0	14613	2113	624	10325	2282	Unclassified	0.1	1.2	0.2
8	C8 H16 O4	177.11214	177.11241	0.13138063	177.11215	34345	46182	31910	34007	5200	4153	6497	24396	6871	84062	107134	1024	6545	10761	2341	20646	3590	5803	2392	39105	47354	28503	2346	17055	2913	4278	10254	120107	10920	9192	6175	14521	6242	8348	17958	7303	3962	2052	5317	100717	40257	8249	29233	2700	5275	112864	103240	3966	17790	10719	30526	35280	4591	10315	5417	3952	6832	20019	137412	45013	124395	145102	24541	7714	9336	13806	11411	7324	131294	71509	122552	14156	5331	6637	3055	5491	5403	1472	5703	117626	2638	6453	4634	3949	4567	5342	2354	12109	4063	6494	50004	34436	4441	31564	0	3081	30926	37972	37497	2829	6087	7271	2297	85328	1400119	3189	4378	3419	1947	6481	Lipid	0.5	2.0	0.0
26	C8 H16 O4	177.11214	177.11229	0.066547744	177.11215	0	0	0	0	0	5974	0	0	0	0	0	0	0	29411	0	0	0	0	4332	0	0	0	0	0	0	0	2077	0	0	0	0	0	0	0	0	0	0	0	0	2435	0	7067	0	0	0	0	0	0	2240	0	0	0	0	0	0	0	0	1927	4907	0	0	0	0	0	0	0	33363	0	0	2641	0	2384	0	0	0	2314	0	0	0	0	0	0	0	0	0	0	0	2674	6814	0	23013	0	0	0	0	0	2595	0	0	0	0	0	0	0	13054	1299	0	0	0	0	Lipid	0.5	2.0	0.0
4	C8 H16 O4	177.11214	177.11243	0.06739189	177.11215	85940	93706	93370	92139	14915	8804	13921	21344	11173	325946	322837	4237	22894	45809	4576	19379	10988	17576	5340	173973	124495	116713	3674	46535	7528	22551	19568	703007	19789	0	13314	17680	14431	9760	140806	15615	17710	4778	9364	188300	79416	16317	163208	2119	4577	267928	204576	10397	27762	16978	93839	86256	12116	11487	18129	4948	10177	30771	72469	92438	105562	209480	33693	19106	18678	59991	0	19154	174848	293551	433514	16475	14742	16166	5644	11621	3512	3723	7745	886492	5670	23033	14089	12389	0	17613	5761	27700	4443	14529	127765	105175	17756	141080	215869	7858	90186	90844	30317	7163	11974	15201	4422	204136	796442	0	7994	11988	6909	16627	Lipid	0.5	2.0	0.0
16	C8 H16 O4	177.11214	177.11234	-0.022345483	177.11214	2624	5227	4799	2397	3014	3832	4344	2942	2253	7432	11122	3691	0	4964	2492	1800	3695	0	0	3000	0	5184	2524	2607	1614	1725	7770	17452	0	2269	2754	0	1733	1902	0	0	2057	2051	3050	3790	8066	2175	12203	12009	8909	5306	7952	11510	1699	3569	7447	5379	3237	9351	1902	0	3831	8699	32733	24767	72275	7458	3153	3033	4551	6731	2838	2351	32854	3655	4504	2984	3787	2780	0	0	10867	2550	3059	52509	1820	3209	3694	2101	1653	2740	2303	2759	3690	0	4265	4199	0	5750	2474	11047	5548	5997	3244	1671	1346	3877	3496	13111	29718	0	1782	11411	2128	0	Lipid	0.5	2.0	0.0
14	C8 H16 O4	177.11214	177.11238	0.057159398	177.11215	9202	14458	8065	8532	4369	4224	11391	3320	1951	13287	28953	5254	8819	7375	3062	2433	9430	1398	3540	5542	6641	13797	2437	7634	1809	2021	8335	88051	0	3364	2295	0	4167	1475	5576	2123	0	4119	6465	8191	17953	4255	11599	13257	8471	4861	20153	13604	2569	6103	15472	8844	4194	11499	22949	2948	12293	11527	39054	54783	210011	14775	1900	7874	28977	9497	19437	6183	98681	3547	4476	4493	2183	1263	1872	4090	10285	2889	2793	137094	1872	4503	3528	2995	8214	102459	1546	6316	4465	25825	5843	4095	0	16945	2432	12100	10883	6171	6042	2158	15981	6145	3532	18538	150898	2325	26485	13744	2299	0	Lipid	0.5	2.0	0.0
12	C8 H16 O4	177.11214	177.1124	0.12627853	177.11215	17155	17785	12063	15998	942	1427	12115	2592	0	0	30612	4336	1226	2832	1051	6716	1722	1225	0	5147	1541	32828	1624	0	1440	0	8938	63765	0	1256	1910	5140	1982	1860	2326	0	0	2007	1404	10078	20417	1808	6391	6706	6699	5953	24864	6232	2574	9922	17201	23431	2565	8237	1922	1816	4890	7701	60778	32534	378358	21893	4182	1855	4681	2614	3067	0	176859	4003	7301	4057	2306	1946	1780	2729	5385	1722	1176	182524	0	3547	2603	0	0	4104	0	3124	1688	11095	7666	2356	0	10340	8682	5243	13341	13026	4840	1164	1034	4039	3374	19112	424925	1731	1781	6142	0	2424	Lipid	0.5	2.0	0.0
6	C8 H16 O4	177.11214	177.11241	0.08011496	177.11215	39346	36457	34830	37949	49222	7601	6474	20667	9995	94002	82783	2486	12196	36927	3733	12336	4287	9580	5787	55267	70460	48507	2550	23170	3891	12534	11922	173484	12210	12268	7721	17157	7341	8530	39306	8326	7259	2324	4462	99536	36394	9056	116609	2457	5489	125373	119146	5081	16269	13997	40482	44227	23997	10903	10726	5194	6590	23869	76786	38606	73911	111602	23214	9177	8732	21315	21216	11840	122981	108226	199348	13217	5184	10434	0	6362	6843	2258	2881	239869	3584	10816	8252	5306	5230	9164	2803	14241	3895	5535	63340	53323	8330	28629	74189	3748	36795	34180	32140	2661	7279	8896	3426	109524	884906	5504	16296	5256	3100	8803	Lipid	0.5	2.0	0.0
10	C8 H16 O4	177.11214	177.11241	0.10778429	177.11215	5653	6725	6432	0	1596	980	1066	3178	0	13328	30348	783	2552	2307	913	2012	1463	1398	0	4187	7102	6197	1401	1848	1759	0	4891	29274	1364	1821	1473	3830	1567	1639	2280	2121	0	1401	1191	16506	4734	1397	5589	2768	3833	13880	12625	3308	3277	0	5708	9179	1789	5541	0	1607	1115	4739	48254	8886	89989	24294	2077	2368	4822	3880	3660	1660	43197	9852	5716	2617	0	1099	0	0	4747	0	1116	48319	1007	0	1221	1051	1605	3282	0	2725	0	2092	8135	2064	0	5569	6534	2504	7350	9343	3356	0	1495	2195	985	13329	526661	1177	2298	3593	0	1133	Lipid	0.5	2.0	0.0
22	C8 H16 O4	177.11214	177.11241	0.05651523	177.11215	0	0	0	0	0	0	0	0	0	2311	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3846	0	0	3582	0	0	0	0	0	4144	0	0	0	0	5241	0	0	5063	0	0	0	0	0	0	0	0	0	0	0	1070	0	1150	3905	0	0	0	0	1446	0	0	0	0	0	0	0	0	0	0	0	0	0	4270	0	0	0	0	0	0	0	1988	38348	0	0	2691	0	0	Lipid	0.5	2.0	0.0
22	C12 H16 O1	177.1274	177.12758	-0.04882507	177.12738	186459	204166	129438	165345	177755	137080	444602	167161	134985	117801	119586	121141	104771	292281	163162	201678	241807	153260	137019	139254	132966	149569	136303	121894	171816	157629	392802	162796	176922	156703	132851	172102	197393	165623	133674	179351	190628	164072	251936	85716	109226	135798	54562	46880	25560	96850	114109	51810	181306	144060	172209	172760	152024	28568	137455	128271	148310	232995	110975	140726	200937	75022	163314	114902	186605	179729	198602	243297	75760	120883	143572	116892	130903	157965	163815	200864	35706	106460	192883	195366	142967	120823	317044	257960	163257	152222	260007	150461	149834	364705	347346	262023	231668	104818	115666	40259	144783	179991	170327	201314	192500	203022	129666	143400	98113	167377	139806	48003	183515	163362	Lipid	0.083333336	1.3333334	0.0
26	C12 H16 O1	177.1274	177.1276	-0.008282397	177.1274	72811	78406	66961	67545	66667	49037	179353	68892	62766	43820	53428	57930	50976	86949	63672	86921	100289	54268	75588	55559	51315	60675	44660	54536	61736	72861	166095	75137	63338	77861	68903	83529	87169	55411	57117	83619	84634	69503	116822	50738	55816	63771	26600	25381	25123	37279	34155	27834	93927	63708	71804	72122	61739	14928	65134	65915	57841	113698	44413	59255	80753	38071	67464	52412	65993	57769	65045	122578	57567	59111	68968	52428	58068	73949	67223	92958	19481	53114	67598	62841	56009	60897	95564	79398	66194	54671	101109	53220	59382	121250	127360	84117	92698	39586	50385	28003	67644	71111	61527	78055	85818	95268	58345	60674	39795	66323	63967	27693	67883	51948	Lipid	0.083333336	1.3333334	0.0
12	C12 H16 O1	177.1274	177.12762	-0.033900883	177.12738	90156	109792	88928	101507	71853	48157	147221	75823	53722	49573	54896	46191	44705	108640	52400	125700	136779	72781	83996	69402	69203	82758	46917	62652	59374	90204	214241	37640	76942	75906	63291	102901	93507	75999	61869	81139	75714	56574	141395	46655	71876	66076	14404	9680	9718	50016	70042	14264	104848	67020	103282	105916	71411	8870	66097	59771	53847	107798	42856	77538	112353	29014	84609	46271	85112	74697	74042	133054	43959	55418	70971	50726	69162	89640	143774	103136	6330	44043	71622	45131	60678	72785	177880	224161	84744	55860	102469	49717	66357	168870	125641	114120	91745	43379	92573	12822	98827	91347	63190	119634	131882	107484	49901	67232	32283	79100	80019	9460	60340	54545	Lipid	0.083333336	1.3333334	0.0
10	C12 H16 O1	177.1274	177.12761	-0.028374806	177.12738	51593	50802	34226	35391	41499	26724	70766	43388	33866	30810	23001	28930	36603	62665	34850	60553	74876	36711	44852	39718	27941	40296	36279	35560	36172	53620	72946	26026	47543	43964	36387	52553	55761	34425	32934	42490	44874	34785	77780	25361	37016	37544	16718	8889	10254	28818	34028	13577	48555	35341	43506	46878	35180	8709	38650	42730	28834	68111	24826	34968	54025	18181	36261	25951	38907	36162	42191	78606	29762	40268	39411	28239	36146	48389	63102	47496	8435	23055	42934	29380	40708	40798	94467	92608	57956	41519	55037	28362	33248	90488	49838	46827	48972	27640	34599	10997	43353	50820	37043	70636	81583	48648	32351	35972	0	39801	48887	10492	38371	34158	Lipid	0.083333336	1.3333334	0.0
4	C11 H16 N2	177.13863	177.13893	-0.004635197	177.13863	5526	7207	5871	4804	294	1909	1481	12637	0	8517	3926	2078	0	0	3337	15822	18174	1487	2626	8818	9859	4537	2287	10682	8011	1539	1382	10333	16168	8952	7831	19220	9391	12969	7720	23249	10278	3135	18709	2144	548	2179	0	0	0	2570	1708	0	13545	11030	5611	4556	1191	0	267	0	0	11600	0	0	13096	1131	409	0	0	750	2203	22241	0	3281	2529	6576	14669	22894	28002	14982	0	2718	9388	0	5296	0	0	2780	0	719	4919	3266	5293	19428	5780	0	26396	1128	4426	0	5136	6586	0	0	0	13522	2335	1545	0	16404	0	0	9452	295	Unclassified	0.0	1.4545455	0.18181819
24	C13 H20	177.16377	177.16396	-0.040676996	177.16377	73910	86677	71586	74932	69167	49452	291465	65620	38839	41749	75860	58700	45902	213967	59077	91298	125582	53621	77207	57569	57249	61619	49128	52817	60570	59043	295421	100806	55255	60288	42593	66166	60548	53625	50738	67830	57407	57872	123367	32910	61251	54314	26845	10065	13941	43463	84978	10681	56522	64227	74105	80987	57788	15144	48222	47350	59169	105148	46048	79160	102201	29018	78939	38875	132263	84866	111934	118270	37108	33657	60458	39834	46549	58040	80388	70391	16435	51221	78209	229150	52965	88337	107027	115523	68008	49644	160153	47770	57443	300853	226743	154779	131503	73707	71616	14463	72422	77068	67845	57203	60220	66775	59035	70817	72741	60062	57749	8614	75976	41237	Lipid	0.0	1.5384616	0.0
26	C13 H20	177.16377	177.16399	-0.015312584	177.16377	58827	62530	52742	51570	38904	28136	204395	38279	37924	22352	60635	37881	31149	108165	47800	60758	63528	31577	57447	39184	36957	44638	35925	33066	43776	60670	213679	111968	45376	49907	35790	41567	48214	33962	35070	49507	37903	52834	79556	32522	47703	43156	17849	15408	17304	30740	45432	12756	44157	40749	60176	52291	43007	13668	38837	53097	45311	68292	35765	49591	66022	30508	45630	30226	106025	44020	74112	82975	56792	34487	48915	25678	37752	51752	45757	50041	18798	34161	65056	171516	38943	64036	70907	64918	43022	49043	138009	41910	38403	199435	212023	118802	85292	52131	39402	15146	58379	65215	51661	46196	54634	53112	37845	56341	59232	41000	41805	16649	56703	26298	Lipid	0.0	1.5384616	0.0
18	C13 H20	177.16377	177.16397	-0.062360145	177.16377	9489	9890	8577	7022	8286	6337	21832	6465	2634	2188	2159	4158	5530	18950	5909	16488	12867	5263	4559	2017	5013	10006	6290	4279	6222	8250	27671	4891	4407	3810	5241	3779	5511	6442	0	6397	4587	6685	15455	1268	6173	7389	4438	1953	2245	5369	3511	2579	3891	6566	6324	8567	7391	2556	3021	7512	6376	18994	0	7590	12860	2333	10151	3052	11617	6898	8157	14413	6190	3355	4608	4220	4315	6962	12222	6763	2569	2464	11030	15230	6003	8047	18332	27494	7641	5860	14788	4162	8482	51956	14843	9258	34770	4511	4393	2913	4214	7314	8854	9981	13240	6350	4242	3484	3576	7003	7858	1559	9841	4640	Lipid	0.0	1.5384616	0.0
22	C13 H20	177.16377	177.16397	-0.037986167	177.16377	61398	63850	50670	63432	65613	70855	219213	47794	32833	29069	41637	29175	28128	267145	44834	74921	103036	59593	60361	36643	31651	47762	40418	29677	42796	55729	237520	65451	46829	41815	33266	47831	47631	40102	24659	52684	40164	49376	97172	19842	45845	73933	18926	8435	9013	28219	61199	9899	45201	40843	52689	53176	50163	13400	32709	64184	90519	74019	21354	65189	67871	21824	63668	26493	175977	77240	135386	103747	35448	30989	50180	27756	35446	41895	72320	56507	11781	23203	45831	183625	32275	50513	95157	104394	67872	54978	86684	49497	75654	197220	190237	129533	65411	50829	56408	11835	51916	62059	99060	61666	62058	56063	35280	45511	42502	49492	53953	9481	59345	37997	Lipid	0.0	1.5384616	0.0
28	C13 H20	177.16377	177.16399	-0.009094918	177.16377	18836	18309	19523	16478	19032	13200	48118	20292	16402	13431	22551	14300	11088	22218	18193	21038	25252	14737	18145	13813	13083	15748	16400	15589	20658	26795	39114	34759	21120	19994	17554	23010	19173	16955	12173	22337	13527	21177	23114	10574	17049	17335	13147	12676	14894	14078	13848	9398	17792	21747	18741	20296	22156	14483	16988	20492	15443	28405	15571	20007	23807	16094	13560	14443	23430	20162	24310	24468	29565	21197	24663	11986	15292	25064	18898	19942	13901	16353	29770	41306	17144	19025	23074	19301	25198	16512	50739	15857	19482	35154	88911	59301	23305	18611	13232	12404	20724	19866	18223	24297	31785	23000	20705	22719	16343	18418	24997	11963	20643	10706	Lipid	0.0	1.5384616	0.0
20	C13 H20	177.16377	177.16397	-0.014087302	177.16377	23486	29542	26364	23796	27552	23178	91190	17929	32833	8285	13602	14952	16076	70617	14282	27958	47261	19811	25180	15456	13232	16654	10997	12514	17345	26036	99292	17354	15640	19481	10024	21715	18298	17704	6680	19983	13585	11775	37613	6619	28023	28736	12214	3857	3224	10929	21236	4940	16602	18184	23015	27576	21643	4878	10760	27964	24441	34182	7282	30166	27521	8040	27409	10060	39494	24246	35896	46628	15780	14407	27230	12346	14361	20103	41999	20225	6670	10797	23317	78966	15272	13044	45698	74017	37673	18285	38144	21955	23382	88885	72808	36114	40986	21013	19157	4111	26795	27177	28261	31528	35252	27785	14321	16782	12684	20705	29192	5607	19549	13301	Lipid	0.0	1.5384616	0.0
14	C8 H7 O2 N3	178.0611	178.06134	0.05285369	178.06111	0	0	0	0	7354	0	0	0	0	0	0	0	1440	31575	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5119	0	0	0	0	0	0	0	0	0	0	3088	0	0	1617	3643	0	0	0	0	0	0	0	0	0	2955	1808	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1682	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.25	0.875	0.375
0	C6 H11 O5 N1	178.071	178.07127	-0.2082598	178.07097	5686	6794	6158	6008	30861	29517	0	19752	9826	1826	0	3013	59145	26383	1848	0	3401	35380	26671	2729	10231	17667	6072	11562	4290	0	0	0	32908	2897	23360	12822	66410	25123	6661	10991	17751	2659	6898	4293	0	11917	0	0	0	6568	0	0	14029	4416	6896	7231	30846	654	13746	5088	0	27434	1821	987	2626	0	73011	11627	2162	24446	50011	4842	0	2562	0	18511	25010	7256	0	14058	0	6283	3485	0	2430	641	0	0	3134	2128	3952	16151	32041	3514	9690	11269	14712	0	0	573	4640	6972	2466	2492	2029	7178	3133	2877	0	29401	3157	344	2559	99335	A-Sugar	0.8333333	1.8333334	0.16666667
6	C8 H12 O2 N1 Na1	178.08385	178.08421	0.23532681	178.0839	0	0	0	0	0	0	0	0	0	0	0	0	0	467	0	960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	645	0	0	0	0	0	0	960	0	0	0	0	0	0	0	22019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	436	0	0	0	Lipid	0.25	1.5	0.125
4	C10 H11 O2 N1	178.08626	178.08653	-0.035609588	178.08624	34187	46549	34168	36884	47437	37340	33686	42175	39512	19530	18512	29607	36470	27434	29722	55259	68884	72370	64885	21340	19793	44630	28991	46751	29024	9795	35471	18788	41366	31239	42098	42004	65944	38652	28743	36998	62932	31270	79601	19184	21521	47391	8186	8284	10006	22415	18113	10073	48878	33337	41198	29849	55586	7474	36597	23540	38591	66706	12204	21833	54967	10138	43584	36894	24239	52912	33291	80204	11478	17005	15512	30904	35563	34807	35662	43388	6709	26613	37453	15084	33581	21071	19159	13811	31672	33878	41042	55762	53001	75113	18388	17943	66809	15091	14228	13440	34537	39577	36295	32223	30308	53293	32455	20863	14872	45629	31840	9040	37756	56135	Phytochemical	0.2	1.1	0.1
10	C10 H11 O2 N1	178.08626	178.08649	0.001202063	178.08626	56947	50508	41477	39604	52856	44583	60762	61566	39650	19148	19154	46383	31593	35409	51433	95453	100403	63966	53473	28464	26571	43571	38676	60342	46359	11931	108327	29299	63559	65950	55713	65868	87938	67838	29433	68896	83113	52609	116203	20928	24592	47939	8912	9559	9618	22702	19345	10338	68417	57582	53759	54144	50451	9899	39893	23753	31045	90657	20585	29813	88350	11937	31733	37315	30479	54014	45591	119733	12073	15286	19270	70188	77434	66797	150862	69493	6662	38996	54795	21748	52670	28479	27695	16786	28722	38372	61216	63004	55648	109390	42633	40640	80545	19901	24577	10672	53992	46384	30647	24214	26037	72864	48156	33522	15810	69788	32061	9081	53308	48139	Phytochemical	0.2	1.1	0.1
12	C10 H11 O2 N1	178.08626	178.08649	-0.016018098	178.08626	70301	89950	62943	69140	50272	39896	82768	103225	34544	20136	18707	47846	27080	34989	47422	231659	117709	59766	57062	30153	25945	65423	44643	167346	60249	7979	113898	16288	79654	151848	118915	97375	125076	85005	23967	80653	124478	46181	144485	20164	26775	53264	7822	9349	7636	37516	23283	10059	143749	93783	72205	72261	56934	6186	38924	17934	31181	123219	17661	23831	203419	8393	27051	35560	26417	50075	44992	128356	0	13934	13955	94296	71448	72052	173510	92017	5015	59834	92553	28876	73144	25823	25884	14771	27783	28482	96793	69287	56958	168601	55521	37115	135925	14066	33020	9199	66244	70383	30928	19976	22243	190871	53045	33700	0	121494	35351	8498	74639	55102	Phytochemical	0.2	1.1	0.1
2	C10 H11 O2 N1	178.08626	178.08653	-0.037742443	178.08624	71466	73879	54860	64791	119334	63017	50255	70336	79860	34788	35662	40123	113407	68318	38002	90066	87840	126603	108370	26009	27145	57306	35630	68532	41694	7575	55405	33286	82283	64393	72852	97262	118858	75585	38774	80168	102075	36816	96312	22521	17449	81765	7393	7504	8693	26622	20972	8184	96483	46521	62367	69111	105977	6844	78805	54567	47615	116077	9378	23097	96494	8535	104531	66870	34081	116681	104274	102576	9944	16673	13046	65296	86887	75028	83896	82999	6417	37187	39773	16879	34191	17357	15829	12926	52796	45471	56767	101124	105384	113850	31262	31516	115261	10954	19969	11676	66105	69203	58311	72250	76361	109554	45963	35875	14764	100940	62482	8224	40545	148786	Phytochemical	0.2	1.1	0.1
8	C10 H11 O2 N1	178.08626	178.0865	-0.007334361	178.08626	55717	64153	45862	64039	47873	39930	67229	67075	42974	26818	24435	48983	37760	35542	46383	92101	106720	64931	64236	28590	26880	50422	45070	69302	45967	11619	71608	32821	73543	61847	64198	85894	115205	79075	44706	69113	110691	47847	131101	22791	27619	59952	6981	8362	9260	33032	26121	9012	88552	61643	53496	56290	54347	8493	50353	24697	37919	96874	25673	37120	81316	16631	37676	43703	30998	55212	55675	119876	12033	16708	17003	67738	67678	62473	77420	81248	6499	46242	58256	32117	46962	28309	36110	20335	32663	36584	68268	67013	69348	126748	39786	45190	112320	19216	28204	10310	61775	59806	36740	28513	30256	98967	51896	36940	10638	69403	34778	7613	55593	53476	Phytochemical	0.2	1.1	0.1
14	C10 H11 O2 N1	178.08626	178.08649	0.017141212	178.08626	36203	29107	27414	26914	26324	21372	29511	36070	15132	9378	9232	29476	18056	24008	24837	41684	38863	24265	25933	13152	11933	32518	24533	31825	24456	2962	36636	13550	32832	36734	32838	46593	48399	49405	14652	43344	48713	25773	41886	11505	11209	21957	5753	7715	6506	13387	11609	9691	46155	28118	27554	22040	29524	6566	16828	12733	21708	52845	7300	15043	28234	6456	17086	16159	13930	27670	24670	49860	0	7781	5584	38500	43908	39886	31382	39952	5653	23730	24622	18084	27221	12481	16238	14196	13103	12865	35039	42425	35041	71479	25390	20513	45143	9598	11657	8254	23565	24975	12572	11807	15493	45703	35623	16235	0	42722	14348	7755	31528	17033	Phytochemical	0.2	1.1	0.1
6	C10 H11 O2 N1	178.08626	178.08652	-0.013848342	178.08626	52302	61014	47914	58436	68157	44324	65641	63469	44093	26960	24518	46466	41399	42800	48477	87983	85724	81725	76794	23812	26469	50223	44326	71304	47288	8221	62552	29876	70833	60769	65329	75531	114110	76884	35420	67606	113812	49402	114062	18248	26393	55471	7391	7683	7315	30430	23689	7691	83081	56206	57521	59954	62827	6963	49681	26894	38510	100594	21342	32813	83047	14386	53996	34193	27734	54422	61310	116641	9710	16254	14685	58410	56277	62072	71652	77093	5907	38394	48916	27721	40046	25293	32226	16585	33441	41108	92401	62593	76195	127931	70699	64442	108829	17569	21706	7556	52617	49257	32106	27849	36754	101666	49581	29021	14025	82691	38187	7699	55970	59841	Phytochemical	0.2	1.1	0.1
0	C7 H15 O2 N1 S1	178.08963	178.08965	-1.0427343	178.08945	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	877	0	0	0	0	0	0	0	102129	11727	0	8838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7240	0	7938	11103	7357	5315	0	0	8287	0	0	0	0	0	0	0	0	0	0	0	0	18904	10372	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	2.142857	0.14285715
0	C7 H15 O4 N1	178.10739	178.10768	-0.09168803	178.10736	3185	4248	3976	4342	20248	28604	0	12871	8065	1508	0	1869	71251	69635	1421	0	0	41045	12468	1564	9385	8586	4814	5344	6988	0	0	1121	46350	2906	16788	8372	74556	44086	6299	7146	11748	1746	2677	2104	0	8144	4497	842	744	3628	0	0	8838	2106	4605	3729	19991	989	12816	4227	0	10400	2625	0	3432	0	50613	6246	3700	44323	53783	2137	0	2186	0	39239	29299	7731	0	7795	342	4040	0	0	0	0	0	0	1429	0	1680	35327	13872	3133	5338	3483	5424	0	0	1045	4100	3227	2445	1639	2035	3664	1922	0	0	17384	3066	297	0	96855	Peptide	0.5714286	2.142857	0.14285715
2	C8 H11 N5	178.10872	178.109	-0.03305456	178.10872	4704	5196	3822	4534	3092	0	3045	7815	936	848	0	2136	3220	6736	2828	12291	16003	4906	7519	0	359	1522	3308	9228	6183	0	2898	2337	9752	6126	6116	7516	14506	9383	541	6277	16471	2513	23011	0	0	0	0	0	0	1208	0	0	10491	0	3792	4463	3390	0	436	729	689	7769	0	0	12465	0	659	397	0	3808	2839	25466	0	641	1135	4844	5314	2925	15366	7662	0	2046	3256	0	4567	0	0	0	0	274	3377	6534	4236	37036	0	0	25570	0	290	0	4095	4688	1406	312	316	15227	2007	0	0	15486	556	0	3699	1417	Unclassified	0.0	1.375	0.625
16	C11 H15 O1 N1	178.12263	178.12285	-0.041851148	178.12263	9500	15592	11459	14222	9446	11734	11319	21393	2922	11593	14216	9478	4318	27359	6001	22469	20441	9588	7661	16409	10512	16174	4537	20769	7644	3491	13245	130738	19410	28539	17567	34499	24014	32966	9774	39998	15532	7505	23680	13986	12852	10857	15127	12201	7219	32092	17160	10420	23510	18703	11954	15308	12781	12758	0	2165	8489	31153	7174	15484	13869	5727	2803	4493	9247	7137	12001	22412	0	13476	4648	19219	20609	22377	21899	46990	6308	7109	7964	12887	5819	11727	9060	6882	1978	6328	6733	16585	13777	28849	25847	15889	0	15924	25354	12287	12932	11452	8822	3147	6005	18576	7190	16678	4143	14574	8503	11423	9708	3133	Lipid	0.09090909	1.3636364	0.09090909
2	C11 H15 O1 N1	178.12263	178.12292	-0.072025195	178.12263	49771	58363	44456	50103	33372	30961	30016	62608	17722	69720	42182	26287	21634	36320	21512	190824	50797	30614	41468	56742	52551	51173	21731	64832	49806	36114	54905	42415	77990	63350	56913	85422	64048	60477	60164	75219	69842	26014	66550	44748	36323	28703	17483	16895	11149	26264	28653	18358	89781	53797	45896	51994	29258	13016	15192	8290	17282	95523	10039	22233	124653	23155	25903	14570	15350	36011	45134	69593	25926	64148	51177	57312	80458	90592	162630	75619	11890	29763	26120	18915	23154	19077	17020	70157	12446	13356	39033	28947	39183	93906	45008	26703	65233	24494	55952	20311	46392	47264	17886	12095	11761	70942	24678	40814	16145	60747	10685	18029	28515	20895	Lipid	0.09090909	1.3636364	0.09090909
2	C12 H19 N1	178.15903	178.15932	-0.024205007	178.15903	15571	18646	13185	15547	0	0	2471	27598	0	7640	2195	3147	50041	142613	3649	39221	5399	593	985	9878	6557	17837	3051	20877	17949	0	3163	3527	6132	7817	10211	11587	4898	4517	7465	10915	7495	2648	8569	5155	1140	0	0	0	0	4784	3706	0	17996	31162	14992	13563	555	0	0	21793	528	32886	0	0	30144	1406	0	0	0	3947	2944	9393	0	1742	510	8613	6860	11854	6900	8011	0	2726	7460	6226	2186	0	577	2631	236	404	12779	1014	1687	70992	318069	16755	63184	11498	41942	0	15229	15028	0	0	273	4427	2602	6092	1552	21159	0	0	10361	0	Lipid	0.0	1.5833334	0.083333336
10	C9 H6 O4	179.03389	179.03412	0.013344365	179.03389	49946	54510	37045	41480	116917	71011	30677	33077	88992	18502	33356	27499	153803	104200	38431	32362	33931	102999	109422	18875	19197	36058	55699	37978	27793	13828	36411	44068	39684	39302	42815	34728	40450	38835	28333	32936	39203	37765	28887	20236	18178	57007	26935	23729	31407	26978	14463	34400	32525	28003	41322	44317	71539	25065	85072	75965	40062	44244	16312	15051	38658	9629	137237	71003	55199	188472	90342	33770	18804	15776	13535	40052	35566	39422	21863	48895	24271	30876	36103	58765	47484	26063	17683	10326	89742	54782	57329	53830	71976	41057	39551	21819	32246	22966	17750	33687	45622	45742	76560	97820	103538	35813	38434	17397	15638	34002	60115	28154	26069	135279	Phytochemical	0.44444445	0.6666667	0.0
12	C9 H6 O4	179.03389	179.03412	0.014911264	179.03389	39618	48149	33629	42992	73936	54320	27774	33645	78893	15858	28725	21272	92859	206079	35574	44611	26200	89741	91234	18166	18802	30634	45056	21347	28669	10066	32176	30082	32043	33804	38904	41337	41169	28881	30222	34200	32058	34629	28329	17310	11523	44466	16063	20674	25479	19768	9435	30805	37831	32048	38263	41657	60409	16881	81479	47186	45512	39734	15112	10628	49837	9892	111068	59613	83900	98542	59161	29211	0	15135	16163	30740	32595	34306	19858	43267	16319	29028	32174	42266	42238	23491	12221	10711	59370	39570	49337	33879	59168	35018	32247	24996	27558	20281	15117	30525	30523	49100	56529	60559	61510	32037	36909	11678	0	28271	45951	24265	20143	114455	Phytochemical	0.44444445	0.6666667	0.0
2	C8 H6 O3 N2	179.04512	179.04543	0.099958226	179.04514	1824	2462	973	1869	2494	0	1512	1787	2696	741	1047	1216	2698	2196	2213	1324	1274	2668	2042	589	1093	2614	1673	1289	1478	969	1707	1060	10447	1768	1369	3319	2317	1962	2236	3537	1584	1660	1414	1858	954	0	1170	1352	1973	1548	1081	1635	1680	915	666	0	1830	1804	1959	2148	2496	2671	810	1428	1885	1006	2360	1700	0	1878	1067	1262	1898	1076	602	1910	3075	898	23541	5717	1139	1216	1372	0	1379	1904	1434	1042	1729	1843	1932	2086	2190	0	1143	1240	1905	881	1579	3025	1759	1327	2756	2702	1850	1737	1880	941	1398	1023	1221	1922	1527	2906	Unclassified	0.375	0.75	0.25
6	C8 H6 O3 N2	179.04512	179.04538	0.050635785	179.04512	5174	7182	5290	7143	10600	5688	6151	5808	7248	2142	1351	5372	10734	8103	6300	10072	6944	14548	16597	0	1529	10601	8272	14293	4587	960	5338	0	6396	4311	6203	5905	11517	6110	2597	4798	10722	5422	9039	1267	1412	9939	1195	1567	1742	4141	0	1658	8301	6205	5904	6588	10447	1621	7202	4999	5975	11380	1500	1753	9604	0	12341	7449	5391	10269	11177	11807	1663	1912	0	6081	6581	2560	3127	5529	1208	4991	5627	0	6129	2894	1935	991	4799	5867	7083	17015	13033	18957	0	2851	20431	840	1388	1836	7644	6738	5560	4943	5964	10879	7410	1718	0	15992	4964	1486	6982	14861	Unclassified	0.375	0.75	0.25
8	C8 H11 O3 Na1	179.06787	179.06798	0.31959745	179.06792	0	0	0	0	0	0	1488	0	0	0	0	0	0	1278	0	0	0	0	0	0	0	0	0	0	0	0	1551	0	0	0	879	0	0	1558	0	0	0	0	0	0	0	0	511	0	0	0	0	0	0	0	0	0	0	0	0	0	508	0	0	0	0	0	0	0	0	0	1354	0	0	0	0	1009	1821	0	46350	1274	0	0	0	0	0	0	0	1642	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	878	0	Lipid	0.375	1.375	0.0
8	C10 H10 O3	179.07027	179.07051	-0.045891017	179.07027	345375	404035	265059	372627	502569	374876	326509	342453	504432	175781	191364	308749	599217	461417	311367	376876	431580	597413	690071	259775	217403	238871	327233	260131	238077	116217	306190	177788	410867	384057	329884	423558	483013	376799	281464	393855	451262	285032	483982	187331	195112	435562	102086	98082	133044	226207	186454	125245	429857	300822	325809	357583	439810	97703	543770	391381	350555	368924	177441	190059	353097	124397	583194	494938	327586	582134	417317	433022	126019	134822	141165	306306	370578	337890	341663	470264	99265	294571	316164	173638	286414	216697	280487	202329	473208	320440	392871	378439	482312	326591	237283	248287	268033	160539	153494	118498	347511	365527	442743	585669	603946	460472	363274	246416	116912	275633	425884	103139	258040	589311	Phytochemical	0.3	1.0	0.0
0	C7 H14 O3 S1	179.07364	179.07391	-0.12967171	179.07362	27259	23558	26794	24050	5811	2789039	0	26732	6092	0	0	27181	0	4547	2276	4071	1077	16561	2501	0	780	2282	6067	2131	1605	0	0	0	49855	23052	24699	9451	52759	18752	0	10174	18425	1796	1023	0	0	152130	0	0	0	0	0	719	23309	10034	23999	23449	3559	0	0	1126	0	12693	0	0	3312	0	0	0	0	7010	13142	0	0	1914	0	20954	25482	28513	0	27020	0	33841	0	0	0	0	0	0	0	0	0	61976	3195	0	0	0	0	0	0	425	25879	24611	6838	0	0	10948	36897	0	0	14514	1173	0	0	2012	Organosulfur	0.42857143	2.0	0.0
2	C7 H14 O3 S1	179.07364	179.07402	0.17221934	179.07367	0	0	0	0	0	23391	0	0	0	0	0	0	0	0	0	0	492	0	0	0	0	0	0	0	0	0	0	0	0	783	440	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	753	633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.42857143	2.0	0.0
10	C9 H10 O2 N2	179.0815	179.08173	-0.033792302	179.0815	14226	15678	10706	10798	13900	8498	15583	19473	9658	2699	4935	11126	6206	10312	13103	17985	24370	12580	10994	5215	2911	12654	12197	16325	12299	1857	20381	6200	17520	14949	12037	16930	19233	20078	4701	15222	17958	12806	33193	2379	3452	15599	3369	5396	4633	7896	3519	4833	14101	14120	10157	12783	14374	4451	11189	6477	9275	26260	5457	6741	21508	2939	9465	5898	6919	10329	13239	28463	0	2854	1580	17273	13833	14554	20075	14426	2840	11436	14356	9965	14066	5441	6570	3098	8796	10459	15393	19904	12614	35556	11911	7131	29067	4170	5030	3761	12449	12672	8200	7569	7805	18266	11550	6618	0	16242	9782	5088	15300	10792	Peptide	0.22222222	1.1111112	0.22222222
12	C9 H10 O2 N2	179.0815	179.08171	-0.008294195	179.0815	6248	8803	4718	6590	5683	5979	7585	10898	5636	0	0	6213	2483	5141	7887	11308	14718	3065	5742	2147	0	0	6994	11094	10043	1337	10537	0	13018	12032	10393	12123	12410	13244	1365	11189	12047	6233	13767	1721	0	6635	2001	3456	3254	2474	0	3258	11423	8210	4710	6547	5266	2134	3039	2920	6275	11217	0	0	0	0	3388	2944	4882	4929	5547	11399	0	1482	2291	9182	7628	8013	15730	13330	2196	7663	8583	0	8355	2523	3730	1388	3083	3466	9457	7047	8697	22656	2837	2573	16166	0	1665	3333	5868	4629	4013	2290	2325	19316	8746	4659	0	11286	4561	3010	7751	4622	Peptide	0.22222222	1.1111112	0.22222222
8	C9 H10 O2 N2	179.0815	179.08174	-0.042994183	179.0815	23999	31933	24934	25452	22619	17369	29004	33007	14890	8728	8376	23151	15675	14840	26153	49129	48089	27319	28665	9565	9143	28510	24099	51724	28274	2660	31245	8131	37673	25948	33723	44227	52232	37069	11393	30946	44558	24048	59858	6123	6731	25747	2140	2063	2858	14084	6647	2862	45332	29889	24906	27506	25621	2757	16975	8888	16813	51271	10182	11326	45306	3286	17919	16937	14122	21676	27107	57128	3981	6734	5724	30855	30088	21574	32163	34443	1864	25606	33091	13115	27279	9694	11734	5759	13458	16760	34180	38971	31065	84290	18120	17092	71159	6806	6536	2668	26467	24463	13392	13049	10713	39703	23882	10474	0	40888	14556	2343	34396	22700	Peptide	0.22222222	1.1111112	0.22222222
14	C9 H10 O2 N2	179.0815	179.0817	-0.017183779	179.0815	3641	5103	4063	3559	5016	4599	3054	8805	1889	0	1666	5099	2226	3744	4095	9839	9108	6434	3658	0	0	0	2899	5169	4877	0	3743	0	13383	14096	10098	21605	11969	5553	2239	13431	12932	4156	10223	1464	0	9140	0	2861	2320	3304	0	3494	12620	6881	4440	5204	10325	1503	0	1579	3160	15781	0	0	0	0	1887	1622	2665	0	5356	10040	0	0	0	5025	7234	12087	3763	12770	1876	5454	2485	0	3207	1107	1701	0	1346	0	4787	7951	10801	8911	2972	0	7616	0	2213	2682	4720	4414	0	2064	0	8151	5184	2424	0	11724	1046	2907	4351	3277	Peptide	0.22222222	1.1111112	0.22222222
6	C9 H10 O2 N2	179.0815	179.08176	-0.07867984	179.0815	71984	79525	68309	74791	57469	52663	76767	103034	47374	18473	19897	62774	34106	31475	71283	138644	135602	93857	98747	19522	17490	80551	68908	135380	63997	6292	69539	22617	82046	76969	96603	97403	126646	90845	23855	84612	127419	73834	192388	9886	13922	74023	2719	2850	2488	35338	14472	2323	122882	84058	70443	72365	73241	2671	52132	21446	41644	128787	16029	21421	126139	7379	37418	42146	33649	57084	73486	204677	6737	14809	11906	88948	82751	70949	78248	78100	1854	50529	79618	28248	69199	18211	19456	7982	26927	47252	92878	81501	88197	230026	21413	29420	212200	13791	12696	3057	71295	55782	29537	20333	30828	105875	63787	23499	0	134865	39462	2428	88007	64457	Peptide	0.22222222	1.1111112	0.22222222
6	C7 H14 O5	179.0914	179.09167	0.004650619	179.0914	8001	10068	9741	8483	4084	3301	0	0	454	10637	26085	0	14790	3439	0	0	0	707	0	0	78351	0	0	0	0	590	0	9333	0	0	0	694	0	0	5636	0	0	0	0	25128	25142	904	4220	925	1059	16292	37872	873	0	0	9741	7805	1262	1656	603	717	11762	0	68855	27643	1110	62444	3433	0	13987	81411	44326	0	0	0	0	0	0	720	0	0	1311	0	0	11741	0	590	0	0	0	3916	0	635	605	0	3341	15258	0	13542	14974	719	8394	13860	813	0	15186	0	0	2111	881222	0	436	1085	748	0	Unclassified	0.71428573	2.0	0.0
8	C7 H14 O5	179.0914	179.09164	-0.10872203	179.09138	0	907	1431	1779	927	711	0	0	0	1086	1836	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13138	0	0	0	0	0	0	1363	0	0	0	0	1452	0	0	782	494	842	1780	0	619	0	0	1257	1238	0	870	0	0	2096	0	13789	0	0	6160	1792	665	5442	6582	12050	0	0	0	0	0	0	0	0	0	1189	0	0	11513	0	1075	0	0	0	0	0	0	0	0	0	0	0	4804	1011	484	0	1478	0	0	0	0	0	0	114703	0	0	848	0	0	Unclassified	0.71428573	2.0	0.0
10	C7 H14 O5	179.0914	179.09161	0.018989716	179.0914	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1136	664	1034	0	0	717	0	0	0	0	0	686	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1774	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1111	0	0	0	0	0	0	0	0	33210	0	0	915	0	0	Unclassified	0.71428573	2.0	0.0
4	C7 H14 O5	179.0914	179.09167	-0.07512124	179.09138	21411	18161	20049	18564	9326	6085	6679	4298	4807	18893	32021	505	14801	23382	1517	3099	756	6182	2851	19122	6352	18164	1484	7678	13846	6525	4288	298506	5350	3997	4920	2885	2363	1268	9431	3629	3123	3082	0	23825	1140	5704	78020	1200	4629	37022	3304	13374	2789	2788	18911	19831	5530	8350	8819	2736	15617	3823	48522	2017	36057	32219	28265	3968	42524	24155	27423	0	11311	41568	31890	4594	2023	3989	0	2042	6113	1105	4439	333048	5702	10923	13554	9968	40171	20895	3672	12379	3118	479	5862	20038	5147	182706	40681	4994	20020	26479	9012	4050	0	2541	863	25811	410131	2507	10026	15908	4972	8855	Unclassified	0.71428573	2.0	0.0
18	C6 H14 O4 N2	179.10263	179.10294	0.32299373	179.10269	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3527	0	0	1933	0	1559	3033	0	6652	7293	2057	412	363	0	2025	0	0	0	0	0	0	1191	0	0	0	1493	0	1829	0	0	0	0	0	0	3683	6212	0	0	0	0	0	0	2523	0	0	0	0	0	0	0	0	0	0	42366	0	1213	0	4515	0	0	0	0	0	549	1749	0	0	11679	10677	1995	0	0	0	1628	0	0	0	0	Peptide	0.6666667	2.3333333	0.33333334
0	C8 H18 O2 S1	179.11003	179.11041	1.0158639	179.11021	0	0	0	0	0	0	0	0	0	0	1610	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5047	0	0	0	0	1237	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1159	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5074	0	0	0	0	0	0	0	0	0	0	30016	22718	0	2115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.25	2.25	0.0
6	C10 H14 O1 N2	179.11789	179.11813	-0.08915858	179.11787	8253	8338	5613	8065	2748	2988	8233	10872	2492	7693	4288	5645	1816	2139	6484	15015	13201	4581	4602	12220	11103	11094	5164	16107	6387	1419	8907	2930	10443	9991	9932	11860	16593	9793	11457	9762	13965	6837	14803	7068	7668	5568	0	307	257	4740	4211	0	12922	8515	9660	7279	4221	385	1594	855	2424	15521	3198	7746	16274	3275	1536	2355	2168	2908	5636	15156	0	2351	0	7510	9543	9262	11059	10384	0	5331	6153	2753	6437	4046	5276	5169	846	2531	9173	5905	5977	23134	16597	6546	19671	4133	8025	0	7955	5901	1661	821	1253	13140	5933	9930	0	12696	1263	0	8635	1507	Unclassified	0.1	1.4	0.2
8	C10 H14 O1 N2	179.11789	179.11812	-0.06370318	179.11787	8743	11411	10849	10461	2379	3176	7325	14556	717	1882	1604	8099	1112	0	10971	40965	6006	3546	6729	2426	2408	34792	12033	33860	53787	1354	9642	2156	8178	7271	10252	9354	8617	5641	3109	6418	10628	12231	8608	1329	2169	6863	0	271	360	3948	1148	346	12701	8494	10014	10907	3306	222	0	0	4004	36906	1474	3259	26750	1470	0	1025	3974	2533	5082	7526	0	2135	0	8199	6136	5102	5905	7851	0	10172	26484	10162	6810	3023	4852	1823	965	0	58611	6453	9432	164189	29010	14250	116447	4448	3416	0	11754	11623	1435	0	0	9279	6006	5377	0	47689	0	0	0	0	Unclassified	0.1	1.4	0.2
4	C10 H14 O1 N2	179.11789	179.11816	-0.09180006	179.11787	8117	9751	8186	9573	3364	4606	11197	6972	2752	5746	3271	9831	0	2626	9963	13938	20074	3372	4553	4485	6785	10189	8936	12683	7088	2013	12155	4408	7134	7015	7726	10122	12296	9179	9171	7893	11210	12664	28056	3819	4649	4416	0	376	331	3839	4071	506	12461	6257	7752	5839	6258	197	2235	908	5231	13898	1352	4820	11857	2949	1541	2025	3455	3980	3654	24943	1642	1896	2331	5106	6777	6777	16889	8251	309	7021	12734	0	11945	2218	3186	3648	1641	5072	13638	12305	6977	29048	4493	3968	19314	4096	5895	549	7926	8591	2923	1351	1707	11870	12313	5206	0	9337	2604	409	12499	2363	Unclassified	0.1	1.4	0.2
12	C10 H14 O1 N2	179.11789	179.11807	-0.05482281	179.11787	3275	3999	3874	5055	2441	1417	2294	3005	0	0	0	2695	0	971	1808	7280	5972	1222	0	1758	0	0	2753	5527	4660	1099	1431	0	4294	4416	2300	6127	4102	7594	2939	3854	6481	2155	6533	1944	0	2210	350	0	359	0	0	352	5013	3793	2953	4868	1426	317	0	0	899	4365	0	0	0	0	2182	0	844	0	1620	6234	0	0	1819	5999	5120	5447	11273	8138	197	2447	4304	0	1050	2047	1685	1023	1488	1290	13014	2451	1936	36695	3791	3660	10018	0	3070	409	4145	3062	0	1169	0	6580	2220	0	0	7676	959	343	6209	1393	Unclassified	0.1	1.4	0.2
6	C8 H18 O4	179.12779	179.12808	-0.13054508	179.12776	3205	2790	3969	2887	1316	2221	0	0	0	1822	4213	448	10703	11827	533	0	0	0	653	2235	3035	810	0	0	0	579	0	3796	0	0	0	0	0	0	0	0	0	703	836	0	1162	3146	15464	615	1008	2355	4196	725	0	580	2729	2533	2462	3650	0	843	13899	0	3164	795	0	5534	27365	1353	27641	126695	32993	1184	0	1654	3635	0	0	0	0	0	808	0	0	13101	0	776	462	0	3452	23501	0	1135	0	0	0	0	0	4053	3725	533	1846	3211	1896	2603	26693	0	0	0	76361	1092	12569	982	575	0	Lipid	0.5	2.25	0.0
18	C12 H18 O1	179.14304	179.14323	-0.08357107	179.14302	68015	65667	59247	55825	47940	52888	339469	51671	21982	40357	51861	33513	36542	287310	32101	62842	103962	67303	58593	58926	54046	41186	32196	31285	35454	102247	329795	76137	54398	44992	36051	48697	55747	55306	36771	45033	53741	30735	114708	30188	55742	54040	44989	10979	12386	30364	49720	13126	52055	40201	68914	61660	42657	17674	28925	54082	52623	71535	29428	68290	59656	22441	79369	24587	199152	64558	112709	111572	32048	25607	53251	33005	37714	54296	83431	47251	13307	23084	38091	130787	30818	62393	243504	442811	57977	47334	53844	45462	51435	120341	118893	96810	57252	39409	56041	17323	64528	56453	63587	55991	66356	58036	31132	52352	27542	42855	37997	11636	42550	27797	Lipid	0.083333336	1.5	0.0
12	C12 H18 O1	179.14304	179.14326	-0.05586397	179.14304	8469	8823	9150	9389	6408	6223	18532	6697	3130	3160	6052	5447	8045	20114	4205	9621	14000	4898	4735	4861	3279	9287	4935	5030	6718	9633	24364	0	8798	9464	5638	9290	7834	7137	2842	5758	8614	6748	12172	4616	4311	4995	5474	4035	2846	5186	4967	4624	9541	6831	12727	11654	8264	3581	4498	8695	5898	14629	0	0	0	2238	8922	4457	9319	7927	9509	12020	0	4097	5413	2556	5929	7431	13641	8235	2997	3302	4675	0	5095	6710	25553	29670	5347	5597	11770	5680	5517	17080	7560	12458	7915	0	6613	3158	11299	10497	6819	11009	12293	7215	5417	5430	0	7375	10388	3220	5339	5590	Lipid	0.083333336	1.5	0.0
16	C12 H18 O1	179.14304	179.14325	-0.07500108	179.14302	36001	41812	33099	37318	27601	31767	171194	21997	16509	39494	28643	18869	26159	173554	17860	40455	63597	24945	28831	43659	51192	24281	19872	20880	25301	63605	165040	33128	28520	27694	26498	37453	35550	27817	30240	30978	30263	18019	60825	17836	29278	33986	15472	6317	6977	21130	33051	8740	32855	24298	37222	45636	23460	8339	14380	30507	23924	44488	14421	34314	38895	15368	40430	13194	86415	39057	71360	53132	23202	28932	28549	25341	30948	34650	41074	39113	6545	15880	20368	69769	13790	32696	161313	458024	32239	19882	43943	26610	29030	68832	140988	67175	0	28437	41684	9364	28127	41833	24209	31280	40172	34619	14151	32600	14784	29890	24394	6023	29101	22516	Lipid	0.083333336	1.5	0.0
14	C12 H18 O1	179.14304	179.14325	-0.059028164	179.14304	17596	21302	17596	14242	17427	16494	64266	11161	8516	13267	10646	9070	8109	60441	8547	16183	25169	9399	16327	10945	9323	12189	8911	5913	10383	34172	64718	16192	12276	13534	10254	13863	14376	9278	6465	14538	15596	13122	27823	4012	9495	13987	6960	3732	2948	9500	10261	4887	18758	12393	15959	17760	14138	4421	7391	20334	14605	25382	0	12519	19351	6433	22615	6111	32342	12050	27771	30908	0	10008	19130	8513	15039	16231	22220	17494	3934	8356	11409	0	11559	14402	70559	181942	13492	8629	20973	12911	14567	34887	18833	14131	21485	9012	12571	4642	15138	16668	17549	17687	25555	17597	10694	14294	0	15711	12962	3848	11990	11434	Lipid	0.083333336	1.5	0.0
8	C11 H18 N2	179.15428	179.15446	0.026894975	179.15428	2421	2193	2239	2522	0	0	1553	0	1653	0	0	1634	0	0	0	1178	1018	3307	55706	0	1093	0	1791	2683	0	0	1322	0	0	2823	4731	4908	4052	5422	0	0	6825	1568	4837	0	0	1385	0	0	0	0	0	0	7633	0	1329	2430	1492	0	0	0	839	6454	0	0	5232	0	0	0	0	1328	2267	6886	0	0	0	4456	5337	0	4042	3893	0	1735	1857	0	1714	0	0	0	0	0	2683	3041	2430	11283	0	0	10389	0	0	0	2325	1573	0	0	0	4834	1982	0	0	5159	0	0	3244	0	Unclassified	0.0	1.6363636	0.18181819
6	C11 H18 N2	179.15428	179.15451	-0.12288467	179.15425	1320	961	1011	975	0	44146	839	4944	0	2349	952	1474	0	0	2466	4914	3355	5910	11333	1753	1226	0	0	2922	3095	0	653	0	4312	805	1378	0	1199	1712	2586	3940	1001	666	810	1281	0	1615	0	0	0	0	0	0	1209	5232	777	0	690	0	0	0	0	775	0	0	1140	0	0	0	0	0	17141	0	0	0	0	867	0	3346	0	582	0	1178	0	0	541	0	0	1686	0	0	0	802	0	1516	0	0	3595	1722	1988	0	1327	619	0	0	0	883	0	0	0	1146	0	0	0	0	Unclassified	0.0	1.6363636	0.18181819
26	C13 H22	179.17943	179.17955	-0.06720709	179.17941	7126	6562	6485	7260	3278	3450	38938	0	0	3337	14075	3623	0	36473	17252	0	0	0	0	0	0	3017	0	0	0	7642	41307	25492	6395	0	4196	6426	2458	4827	1784	6337	2378	21473	5767	2424	7063	0	6363	0	0	0	6269	0	5970	0	6728	5879	2261	0	0	0	9431	5339	4005	8628	7609	5554	5883	2459	45165	4100	9852	6749	10124	5314	6131	2748	2966	0	6051	6943	0	4102	4346	25947	3196	19850	8050	13282	0	0	10228	4879	7180	10529	18376	9085	6380	6625	0	0	6736	8153	8478	3477	8291	0	4633	8548	14126	2756	0	0	5524	2198	Lipid	0.0	1.6923077	0.0
14	C8 H5 O2 N1 S1	180.01138	180.01158	0.008629453	180.01138	3682	4673	5945	5018	2928	3392	4520	6007	1267	0	0	4066	1515	2299	4725	29433	11653	7200	7547	0	0	0	4635	13681	7795	0	2719	0	9726	5760	8953	13651	13545	14996	0	6973	10400	2997	10772	0	0	7328	0	373	265	0	0	0	12266	4250	6290	3381	2714	370	0	0	1691	28214	0	0	21403	0	0	0	2306	2551	5239	8093	0	0	0	6446	9857	5319	8011	8476	0	2454	8064	0	2905	0	0	0	1518	2406	13447	8318	11758	46147	0	0	18628	0	0	0	4247	3086	1861	0	0	10253	2834	0	0	21715	0	0	11098	3924	Organosulfur	0.25	0.625	0.125
10	C9 H9 O3 N1	180.06552	180.06575	-0.027093276	180.06552	74498	72134	61218	67259	111302	83991	88083	91587	80107	24002	24834	66872	126042	98734	75162	124016	119164	120470	125188	22332	24567	55626	79866	110991	80745	7947	111304	32328	100540	83441	82068	104602	138432	105014	31073	83419	133234	75534	141329	18088	13594	89353	21784	21997	21746	31658	12604	21593	97876	65559	71726	72552	103756	22301	90896	50938	53467	139755	23292	19777	123584	9095	80708	76272	55552	117098	80168	145734	12413	15394	13749	85573	87949	73435	97048	96801	19488	56626	90371	47642	95532	30126	27081	12110	75125	80395	124073	110315	99347	149106	43270	28264	122162	21204	20744	21821	74122	71549	58214	72584	75420	106220	71148	23933	17145	106328	64274	21457	89691	121423	Phytochemical	0.33333334	1.0	0.11111111
8	C9 H9 O3 N1	180.06552	180.06577	-0.03821551	180.0655	100556	123379	61215	109823	149612	112360	107822	111448	114097	23972	39313	85379	160934	113686	97560	149635	165202	180172	201421	29044	27224	76847	108570	285092	98804	11218	114726	34925	124206	97517	101308	150235	172233	141206	41465	115367	165235	99150	222969	22899	18676	139905	16242	18545	22614	47511	19852	21061	137515	97954	100590	103707	135100	19223	124369	79394	81661	152693	25821	25132	143442	14655	129090	113215	81386	157658	110737	185871	15756	20362	17734	106489	120171	89497	112167	130745	16980	78484	135977	47488	108469	31730	29109	17804	91754	84194	148663	178757	175279	219699	36787	34361	185596	21866	21104	21714	108070	92078	91120	100921	104329	156324	90024	33197	13752	163915	86725	18924	112545	181607	Phytochemical	0.33333334	1.0	0.11111111
4	C9 H9 O3 N1	180.06552	180.06581	-0.024826473	180.06552	72082	93038	73697	84412	132743	73595	62092	115711	91473	18914	27135	75007	106036	83247	64366	105772	116769	213745	182991	30285	24728	77606	67888	81781	57642	11487	52909	24956	121602	102784	117157	119908	119391	119187	43247	124069	102788	68585	140695	22489	19500	132016	20123	19881	28143	41270	15729	25871	113634	110651	79920	71246	132221	23293	86892	61969	84696	140938	18689	24265	113950	12671	141680	84297	64892	123837	101141	123485	18574	25014	19428	100786	132319	124578	79855	127196	16536	55910	59280	16007	61648	33680	28839	16793	70298	82395	83987	144603	153746	104157	27718	21023	117049	14900	17036	35594	73388	88348	82090	85758	84288	105118	86162	29907	21380	108850	69679	24002	62736	153463	Phytochemical	0.33333334	1.0	0.11111111
6	C9 H9 O3 N1	180.06552	180.06578	-0.052110665	180.0655	143873	167008	129516	147981	166968	136047	290917	213735	152948	33655	47332	183417	195189	131720	146961	252870	277234	259273	276841	33515	36077	93404	140619	196241	100867	12582	277262	41553	188165	180094	191136	213647	326675	222620	49657	197655	319854	147831	329067	18357	22350	154329	19513	18856	22179	56926	26570	18206	212707	159225	157960	159104	171197	19496	154075	94026	118196	281480	23867	30120	241335	15305	179209	125285	84298	216436	160227	304075	18486	25910	26481	173111	187712	180515	154696	193601	14895	160270	131356	37215	117689	38058	32432	15995	106139	122488	173823	196389	204176	298117	47253	37087	221543	29036	27531	21990	147076	138888	92043	105699	128208	289028	199229	32001	19776	223568	107716	19229	122869	256198	Phytochemical	0.33333334	1.0	0.11111111
8	C13 H9 N1	180.08078	180.08098	0.043605473	180.08078	0	0	0	0	775	1459	0	0	0	0	0	0	0	1480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1020	0	992	1382	0	0	0	0	620	0	0	0	2671	1198	0	0	0	0	0	0	0	0	0	1470	1031	0	0	1570	0	0	0	0	0	0	0	2751	3702	20563	0	0	0	0	0	853	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3324	1278	0	0	0	0	0	0	1429	0	0	0	0	0	0	0	0	0	1603	0	0	0	0	Phytochemical	0.0	0.6923077	0.07692308
0	C6 H13 O5 N1	180.08665	180.08694	-0.0495255	180.08664	3055	2912	3930	4318	40560	59032	4345	43187	12800	0	0	11766	71569	77487	15852	0	9465	70118	30021	0	21889	9867	27709	3980	14210	1444	0	771	92333	3086	58575	6528	138544	41041	7330	19075	14267	8517	6252	1665	0	12362	18087	2004	2898	8620	0	2266	9838	5588	3152	3282	47282	8319	23088	13088	1468	20156	3757	730	2424	1910	85618	11297	5494	27018	102798	3538	1620	14647	0	45116	43363	26539	0	23662	1227	18661	3767	0	5059	1619	0	0	4837	8968	4700	26759	27524	2478	43047	20448	6850	0	0	4523	4103	5536	1841	6423	2633	3670	34537	0	1440	25005	7339	6304	3153	129689	A-Sugar	0.8333333	2.1666667	0.16666667
4	C7 H9 O1 N5	180.08798	180.08824	-0.10455157	180.08797	1910	2651	1771	2114	1072	2749	1686	12448	973	0	0	3269	1503	2337	4962	6740	4008	2410	852	0	0	1688	5474	5550	1954	0	2090	0	2300	4292	5672	2421	1093	2704	0	2581	1809	4747	3732	0	0	1523	0	0	0	1300	0	0	3253	23093	1756	1749	1145	0	485	928	1076	5744	0	0	5366	0	590	381	1294	1687	1049	4532	0	0	0	10513	2737	3823	2476	2741	0	2881	4341	0	7504	0	0	0	1491	2935	4078	919	749	9274	4188	848	2917	0	0	0	2231	2326	1856	1016	1247	2111	4697	0	0	4407	1350	0	4554	656	Unclassified	0.14285715	1.2857143	0.71428573
2	C7 H9 O1 N5	180.08798	180.08827	-0.053506494	180.08798	29734	34029	29469	30298	39746	116338	18168	49720	34145	2931	3244	21271	21820	33286	12835	71529	34718	76572	56353	0	965	25055	38429	102773	35361	0	12450	2309	32040	67867	98284	40645	32315	69284	1065	33191	21036	18084	37318	544	0	20654	0	0	0	20161	580	0	36795	44781	30618	30091	58750	239	4560	8900	24436	68877	0	0	47274	0	14676	2659	46668	88000	34204	43208	0	5744	1209	122307	66366	29121	88136	38520	0	14268	26845	0	63171	0	0	0	15530	27565	24895	65450	26830	0	3214	1167	63824	502	874	0	24268	24720	40358	5732	10604	15443	19659	227	0	96081	9604	0	44102	10213	Unclassified	0.14285715	1.2857143	0.71428573
14	C10 H13 O2 N1	180.1019	180.10213	-0.048777472	180.1019	40387	45669	33890	42365	22138	28116	49114	35595	18412	15566	36635	23297	12121	30808	26809	43652	48686	21696	30120	17833	12216	23331	17361	29779	34935	4493	47973	206694	24117	35851	35494	43058	39681	41847	13643	35840	45415	28777	59192	21917	11855	27652	8258	7861	6909	25578	16973	8798	42030	28676	42739	36842	24094	7784	16248	9327	23039	55286	15084	17588	25912	8269	10391	13905	19663	22155	21192	100414	0	12216	7665	34584	29881	34411	35457	43591	7289	20575	27709	128030	31908	14732	27440	15296	12439	21064	46511	33499	36740	56001	591470	209650	51986	28908	33866	10146	48183	32230	17029	14234	18754	41864	31338	26830	0	34500	13117	7621	49389	16290	Phytochemical	0.2	1.3	0.1
8	C10 H13 O2 N1	180.1019	180.10214	-0.057975177	180.1019	104817	123593	88660	112331	93236	125938	91681	109043	78931	62244	54176	67694	67836	84680	67727	127100	178857	102531	102685	82535	71513	106103	58788	112997	75558	24042	96119	329233	128291	114154	123434	152616	156273	156477	82496	121593	169501	62257	213797	58839	69701	83346	8100	7050	7838	71347	81874	8424	153083	102276	109445	113652	112145	8883	60776	32616	50905	125340	53794	80563	112209	35391	68765	53056	41708	96324	91195	182473	23599	30346	28958	116269	142382	98833	127727	156084	6653	67515	93414	160730	65122	71496	95844	50175	144083	50813	108216	111576	105713	208841	535110	333656	158479	68166	78422	8770	111157	106536	53417	64291	68257	149156	70753	94132	28308	119225	61162	7379	87100	75301	Phytochemical	0.2	1.3	0.1
12	C10 H13 O2 N1	180.1019	180.10213	-0.031279102	180.1019	56332	73215	68514	55642	32585	38355	64018	47012	21033	22410	24918	32473	18771	25842	28754	100700	80347	37252	36768	29636	19093	55893	32402	60764	41166	5403	73485	80904	47838	64131	43953	78609	64984	73302	24130	57681	87225	33744	87012	22600	23584	47002	9214	8289	7808	24489	23889	10427	80063	52279	59698	70486	37393	7833	23683	16226	25548	77780	17525	34815	82295	11209	19746	19625	22702	29151	35269	75539	0	10154	9915	48503	55883	48288	118738	63757	6216	34910	36608	123032	36550	23419	38630	13154	19117	30501	52051	58574	41264	99808	693634	361230	73336	40053	61837	10258	64039	71253	24188	24487	17706	100048	35210	40123	0	56588	24985	7788	47562	28959	Phytochemical	0.2	1.3	0.1
20	C10 H13 O2 N1	180.1019	180.10208	-0.06241313	180.1019	4462	6648	5665	5791	4923	8718	7301	7504	2097	2303	4881	4664	3275	7129	5470	8249	8025	6858	2704	0	0	4990	6234	8468	7121	0	3890	46575	6255	9778	5911	9517	9681	9001	2558	5989	10611	4219	9102	5507	1675	6647	7408	9262	9513	2709	4570	8830	11192	5757	6038	6554	4688	15892	0	2535	5511	9486	3048	6029	8281	0	2158	2772	3992	3841	2742	9496	1825	2616	1900	9201	8991	6082	5951	9226	6613	4251	3284	17683	4339	2582	5534	0	2941	4883	4864	8414	9258	9593	89519	49063	8243	4424	5475	8597	6833	5108	4882	3300	5282	7383	8149	6996	2184	8627	3923	9216	5985	2212	Phytochemical	0.2	1.3	0.1
22	C10 H13 O2 N1	180.1019	180.10207	-0.023830052	180.1019	5428	4183	4278	3764	3295	1966	4719	6340	2059	0	4168	3141	0	0	2285	4856	6309	3215	0	3252	0	2745	3399	3916	4218	0	6312	39580	5175	4475	5632	5143	5373	4908	0	6425	6593	3104	7063	1557	1423	6086	4296	5028	7129	3097	1861	6567	3834	3240	4359	5160	3917	6432	2644	1784	6678	7749	2154	2631	6735	0	0	1941	3305	0	3833	7146	0	0	0	4497	5654	5071	2745	6011	5213	3523	4108	18158	2481	2750	4593	2314	1366	3999	3010	6696	4094	6860	65681	31692	5482	5447	5201	7142	2514	4040	2481	3173	2435	3569	7579	2543	1291	4971	1888	6532	4549	2017	Phytochemical	0.2	1.3	0.1
16	C10 H13 O2 N1	180.1019	180.10213	-0.01693431	180.1019	25908	24799	23050	21735	24904	32226	25304	45807	15283	9289	10548	17057	24315	39242	26747	45903	54321	21747	23513	6284	9617	21830	20435	43734	28549	2818	27451	90575	47694	40224	45267	47555	66581	41516	9389	42115	59704	23613	45289	7261	9142	35624	8055	7191	8329	11942	6084	8240	52789	33734	27468	29165	25587	8373	8674	12257	18592	66800	6473	12108	44703	3483	9656	8932	15266	25109	36626	51432	3420	4387	4457	35204	36210	31542	38111	45654	8424	15582	25947	35663	14946	8478	13350	5947	10179	18087	30086	38491	43766	39456	190842	54090	49107	10999	10189	9148	26799	27778	14086	13616	18058	53829	21402	14803	0	39991	7522	6958	31728	19944	Phytochemical	0.2	1.3	0.1
10	C10 H13 O2 N1	180.1019	180.10213	-0.051334277	180.1019	119165	93418	88870	86750	57944	133168	113516	88279	43988	50326	40854	57271	43920	49942	55443	135140	167388	68067	74646	46808	45379	72801	45502	85080	76379	16272	146460	165817	97597	89518	89874	119554	140977	106003	46155	98433	134237	59955	210509	40908	46924	81501	12413	9003	8491	39164	37767	10851	112197	77950	104838	104287	72062	11177	42948	28077	40585	132603	41472	59214	116519	20408	40641	35260	39014	77779	65792	184123	21072	25800	20486	84289	106065	90600	183691	104596	8105	51113	75435	135687	76341	47701	78578	22411	55561	68064	105797	90544	82342	123640	1316686	460594	100652	65625	64726	10824	94242	97787	45583	47560	48445	117008	66134	73853	14127	90672	51403	9712	88865	47204	Phytochemical	0.2	1.3	0.1
2	C9 H13 O1 N3	180.11314	180.1134	-0.16036652	180.11311	15087	17868	13483	14845	5106	0	15094	26150	5585	10588	6173	13022	3103	4706	15046	16725	33559	31048	33999	13263	8386	17789	16278	28198	16854	1242	5545	8992	21176	12607	19387	23382	28323	26388	10282	23456	27662	14945	39471	9985	8274	15345	0	0	0	11151	4674	0	22240	12145	16449	14988	12743	0	4007	666	5106	54289	699	1401	22244	2652	2055	2658	6562	9131	13833	47999	1243	6007	5016	24228	18938	11542	14218	20052	0	11288	24940	2989	13277	1476	1971	5467	2356	6218	59523	23048	21307	65362	0	8189	55632	2292	4188	0	15008	15197	3037	886	1358	21084	11531	8477	2184	36277	2299	0	26214	4761	Unclassified	0.11111111	1.4444444	0.33333334
22	C11 H17 O1 N1	180.13829	180.13847	-0.03969297	180.13829	8664	9171	9737	8196	3958	5978	8649	21965	3299	0	0	22591	0	7112	16975	61424	33977	4448	6880	0	0	3284	22706	33215	22927	0	7585	2293	29732	37824	22695	45642	31202	44567	0	32936	25393	14204	19796	0	0	13572	3078	0	642	3570	0	0	32337	18198	8805	6274	6919	957	1662	0	2836	58755	0	1648	52401	0	1731	2385	2398	4004	8597	31437	0	0	2111	30089	15205	30085	19407	31974	691	18804	5547	0	6920	1425	0	0	1597	6103	13770	9551	11587	24373	4652	0	14840	0	0	0	9640	9612	0	1333	0	42337	16510	1421	0	34614	2008	0	15785	2825	Lipid	0.09090909	1.5454545	0.09090909
18	C11 H17 O1 N1	180.13829	180.13849	-0.06053779	180.13828	11101	10945	8073	12797	12129	8594	12870	6316	1412	42640	25564	5234	11061	12897	4578	13248	32477	4523	2911	25152	35155	14849	2058	4918	4924	2471	8959	26874	8776	12580	7120	13087	15131	18709	21715	21550	8894	3745	23014	6262	13737	7694	10271	487	1018	17468	28726	692	18000	13748	14164	9203	3621	7432	2743	0	3469	15870	8027	26510	12888	3259	5625	0	2785	14859	4943	62282	1426	0	3131	14152	10860	19221	24180	14452	868	4542	3167	18266	2870	16189	11867	6666	0	2637	7499	7421	6663	38039	26862	18300	9664	15403	20492	1138	10900	10260	2531	0	1872	13304	4711	11199	9648	14640	1920	907	6374	19510	Lipid	0.09090909	1.5454545	0.09090909
20	C12 H21 N1	180.17468	180.17496	-0.09058915	180.17467	0	1718	0	0	0	0	0	0	0	0	0	0	0	0	0	1990	4657	0	0	0	0	0	0	0	0	0	0	0	1867	0	0	4037	4097	0	0	0	0	0	9207	0	5264	23578	2969	0	509	0	2218	622	0	1545	0	0	0	2616	0	0	0	0	0	5567	1613	0	0	0	0	1719	1972	11053	0	0	3575	0	0	0	2157	0	968	0	0	2769	0	0	0	0	0	1720	0	1065	0	3861	0	0	0	0	0	997	1668	0	0	0	1401	1660	1095	2204	0	2564	0	780	0	0	Lipid	0.0	1.75	0.083333336
6	C12 H21 N1	180.17468	180.17493	-0.019216646	180.17467	2114	1449	1512	2311	0	0	0	749	0	16060	5829	0	0	0	0	1411	797	0	0	10442	14036	1340	668	1622	1962	3869	0	4310	1427	1145	0	0	855	1912	20829	1126	826	0	783	2147	0	796	0	0	0	1487	2315	0	0	1505	2286	1176	697	0	0	0	556	2640	0	0	2021	0	0	0	0	0	1251	2421	1860	3049	3280	12700	2431	1586	1568	1449	0	504	0	0	4463	0	0	2573	0	0	1058	630	840	1666	12408	0	2311	2658	7688	0	1500	2014	0	0	0	0	0	0	0	4394	0	0	2112	0	Lipid	0.0	1.75	0.083333336
4	C12 H21 N1	180.17468	180.17496	-0.057243243	180.17467	6437	7230	8120	6911	7408	6784	2614	48952	445	16026	5667	6145	6984	10216	1929	20994	3442	2127	10144	15835	15446	4432	2183	11861	4979	858	3528	5317	6659	15515	13372	10126	5541	5568	18142	9306	6036	1550	3459	2141	0	857	0	0	0	1767	1521	0	11944	70103	6418	5486	2376	0	1988	1611	1143	21439	0	0	18414	0	5398	2328	0	4059	2127	7023	0	1596	0	8196	8757	22178	8841	11048	0	6661	5474	0	4079	0	0	1464	3416	562	4399	1087	2314	24501	16873	0	32512	2848	7770	0	8437	6179	1353	2017	4134	4473	5779	1612	0	11197	3993	0	4815	0	Lipid	0.0	1.75	0.083333336
2	C12 H21 N1	180.17468	180.17497	-0.057086963	180.17467	6851	6645	5283	5571	638	0	2895	16691	0	9249	3281	2841	439	2344	4492	35471	4511	823	1225	7633	6487	4262	7563	37236	15197	0	4500	3701	9251	8456	8704	11943	7568	8715	8121	11162	8101	3166	4822	1802	525	0	0	0	0	2365	1007	0	14326	12040	5682	6990	777	0	425	0	0	24434	0	0	23902	499	0	387	0	402	1180	5656	0	1100	478	12321	10409	14383	17128	8575	0	4298	10693	0	7834	0	0	1048	0	234	6932	1546	3294	17030	8833	0	46620	879	5521	0	5564	6370	0	0	349	7845	2833	2672	673	18832	0	0	8243	0	Lipid	0.0	1.75	0.083333336
8	C9 H8 O4	181.04953	181.04979	-0.03273349	181.04953	120672	138541	95527	130990	256615	181585	91022	111890	262344	51164	62566	102809	393774	238887	113209	132874	119823	291704	319241	61459	53204	80787	131702	103096	83344	33739	89529	58960	125704	120906	114993	125295	144506	116533	87358	117675	144186	109861	125849	47607	51371	175834	48292	48649	74866	72785	46756	65315	122342	100578	113802	132800	205195	58003	253011	195299	153296	135491	50996	44045	130259	36987	342107	241541	135866	332470	162459	129024	45774	43504	40494	107804	118454	115338	92748	146699	55947	97794	107231	62131	108637	66207	57394	43438	218878	147901	138039	166484	213350	100790	64942	61157	99157	50470	44514	65162	127036	132878	215936	272147	279585	146452	123154	54541	36953	102320	182007	53816	84711	342363	Phytochemical	0.44444445	0.8888889	0.0
10	C9 H8 O4	181.04953	181.04977	-0.04069235	181.04953	153022	130496	109044	111286	301155	233747	99994	127969	300070	51755	72735	104127	437133	270350	125239	134300	111241	363536	323260	66363	60756	84053	149571	104367	99434	32053	101120	71677	130348	118570	117398	121770	179048	120322	86804	116263	158687	116036	109492	52154	44664	174509	59687	53374	66596	64547	38835	68400	121331	101075	131097	143315	234841	56493	282721	202085	127461	168808	52964	44164	143307	38163	326039	236110	130439	370997	188495	115991	47349	48086	39421	113532	122401	122589	97051	126311	55477	92317	119347	92144	126161	68109	54076	41330	243662	177065	140603	165900	222789	83109	102207	93406	104923	60599	53591	65453	125462	146768	203438	237112	247315	150301	124139	58594	35841	111547	181592	58462	90438	391448	Phytochemical	0.44444445	0.8888889	0.0
2	C6 H12 O4 S1	181.0529	181.05318	-0.16509663	181.05287	12459	12437	11243	11671	838	17569	6683	73182	1264	5705	38843	6187	0	9682	8143	14275	6845	1291	44710	0	1071	4264	4363	11196	6867	0	7396	231821	21027	41459	64687	7850	26084	1239	1318	20758	2350	3921	8725	0	0	15669	0	0	0	7373	0	0	15366	38838	12012	10505	24749	0	1300	670	2169	47253	0	0	8825	0	2093	873	2732	1207	17183	6129	0	3848	386	7413	4912	84858	2243	31855	0	14478	1883	64869	2275	2527	0	0	550	6270	4283	6074	6806	3759	25186	11557	21879	9217	1236	0	10068	11337	8256	0	0	20295	5785	183	538	7838	375	0	2112	0	Organosulfur	0.6666667	2.0	0.0
4	C6 H12 O4 S1	181.0529	181.05316	-0.12125227	181.05289	23148	23353	26034	24833	1845	9481	6435	88749	0	0	0	12610	652	2680	15836	34528	2963	3712	34353	0	0	17361	20833	50444	5844	0	5713	0	101763	64353	86000	37394	50231	6649	0	63813	5399	12697	2685	0	0	7423	0	0	0	23718	0	0	371423	54962	24790	23408	46325	0	0	0	3872	87513	0	0	22529	0	2516	0	4636	5165	10944	4275	851	5306	0	9578	14335	115703	13440	69635	0	14147	20879	12428	17802	9030	0	0	0	2251	64548	11933	44445	58573	0	0	54527	854	0	977	23174	23690	0	0	0	36814	13182	0	0	10996	0	0	4283	632	Organosulfur	0.6666667	2.0	0.0
2	C8 H8 O3 N2	181.06078	181.06105	-0.075543635	181.06076	20916	24683	19550	20698	23916	29889	17559	30190	23382	4869	6478	27898	20252	19953	21806	18840	40727	35956	31996	6029	6211	17474	26702	28334	14722	2177	9373	4544	36378	24267	34697	37628	45385	37008	9776	30622	30930	23232	51594	5199	3824	49868	2613	2217	3491	13865	4472	2977	36737	21986	20922	23207	40649	3283	16454	9772	25063	41519	3138	3392	22490	2081	44082	20060	23470	44322	44492	50757	3728	8372	4242	29564	36279	20170	19389	39130	2009	19207	19590	4451	18371	6711	3318	3318	16230	19259	27012	65563	57077	43350	5984	4667	31730	3373	4551	5945	20216	21413	18719	13107	12533	26701	27844	5557	4226	29962	11061	3198	20342	38752	Peptide	0.375	1.0	0.25
12	C8 H8 O3 N2	181.06078	181.06099	0.018930439	181.06078	10849	7566	11516	9978	4843	3793	6235	9649	5079	3765	24953	6357	1503	6028	6670	13902	10466	4013	6403	0	1373	0	7740	5486	7591	0	7285	36977	9330	7831	8355	8588	10671	9792	3173	10779	6818	6192	16752	1735	0	9308	2059	2878	3078	4498	0	4043	9689	5788	9457	9063	5301	3170	5427	2115	3995	10709	0	0	0	0	5153	4062	3295	6229	6328	7333	0	1527	1993	7562	8190	7501	5713	9563	2186	5728	6944	40911	6572	1730	2217	0	2944	4234	9654	6214	8997	14422	194454	96379	13663	13612	3274	2999	8174	10578	4250	3610	2610	7934	8801	0	0	12047	3002	2977	6332	5301	Peptide	0.375	1.0	0.25
8	C8 H8 O3 N2	181.06078	181.061	-0.029815322	181.06076	17385	25027	15199	21951	23498	16082	24440	18185	15932	11657	40301	16405	25147	23572	19951	26688	36221	21035	30292	3360	4219	22563	19267	32030	22045	1429	24704	59483	21194	16453	18571	24146	31780	21813	9224	19057	32979	19131	39276	2891	3055	21068	2572	2807	3708	9560	1654	3180	23509	16334	21370	22857	20830	3241	17193	12609	15639	25536	2794	4119	23392	1053	23941	16721	13562	28083	18330	40647	0	3366	2656	15907	15532	9819	18593	19737	2340	17703	31849	45245	30629	6045	6111	3176	21807	18165	24204	24838	22001	43706	95475	50754	48321	16016	5555	3786	19871	17870	13965	16302	18840	34195	20230	5016	0	33230	16515	2726	23837	28964	Peptide	0.375	1.0	0.25
10	C8 H8 O3 N2	181.06078	181.06099	-6.75332E-4	181.06078	13242	13670	10747	12141	10327	19521	11843	20925	10309	5451	3381	10933	12194	21375	13694	27225	18092	36088	22824	2517	0	10116	11156	15505	13947	0	15103	5107	25580	19003	17759	28455	26330	28826	4683	21577	24934	10605	23249	1330	1296	17586	2245	3604	3818	3981	0	3991	22436	13718	10878	14656	12571	3662	11633	3951	6762	37017	0	2216	28589	0	12305	9721	6382	17194	14103	21945	0	4466	1893	20559	23447	15399	19540	26014	2282	9202	11260	0	11602	4877	2795	903	6514	9404	13411	14512	14822	27307	9264	5890	22487	2808	3443	4043	11245	12783	7258	5042	5448	20366	13242	2877	0	23563	4160	3637	9651	18554	Peptide	0.375	1.0	0.25
6	C8 H8 O3 N2	181.06078	181.06104	0.005926753	181.06078	30763	32637	25629	29487	37841	24890	26793	36433	34051	10006	9280	25522	38554	25179	29423	48549	55094	50674	55652	6452	8570	29394	39100	47271	26415	1621	21561	7108	30870	29204	33423	30048	40202	34248	10766	29538	38829	30306	56754	3166	3037	34472	2549	2613	3372	14572	4007	2680	36234	28989	29010	27611	31999	3470	35657	21490	25307	45071	5533	7732	46026	2035	43784	19061	22486	41762	31766	51884	3298	5165	3109	30281	27206	21102	21692	27948	1948	20000	26881	5452	29296	7781	6066	2736	28071	29863	41155	43224	43931	73174	7596	6951	82428	4232	2969	3896	26917	27879	18453	18082	22945	42891	27175	6936	0	48621	24709	2569	25478	51764	Peptide	0.375	1.0	0.25
8	C7 H8 O2 N4	181.072	181.07225	0.08362657	181.07202	5045	6850	5035	4554	3813	19666	1407	3575	1814	0	1072	2041	4139	7709	861	2903	3379	47917	980	0	0	4397	1902	10079	3088	0	1588	0	3170	4848	7227	4303	3748	3855	21368	1778	3853	0	7664	0	1448	30884	0	0	0	2018	0	0	4682	2789	5230	4472	2289	1711	6413	906	4041	7425	0	0	0	0	53492	3555	1908	9992	16591	8000	0	2323	0	7980	5808	3950	2459	3579	0	1834	10110	4278	13838	1379	0	0	0	0	1988	34029	1990	4460	0	0	7120	13527	0	0	7006	4457	123965	970	8936	4041	3080	131805	0	19748	14273	0	6797	7146	Peptide	0.2857143	1.1428572	0.5714286
14	C12 H8 N2	181.07602	181.07623	0.055766612	181.07603	8616	8596	5790	3983	0	0	7536	22043	0	0	0	9257	0	0	5707	66038	15563	0	3360	0	0	0	4864	34654	8762	0	5070	0	10049	20617	17911	22608	11033	17334	0	22075	6388	6124	21657	0	0	3673	0	0	0	0	0	0	21939	35253	8635	9121	1789	0	0	0	929	53395	0	0	28846	0	0	0	922	0	2643	28048	0	0	0	24221	18524	22268	36339	23306	0	9248	6648	0	4713	0	0	0	0	0	9948	4294	6444	61689	0	0	18560	0	0	0	6085	10670	0	0	0	13065	11848	0	0	26768	0	0	11361	0	Unclassified	0.0	0.6666667	0.16666667
8	C8 H13 O3 Na1	181.08351	181.0838	0.48626554	181.0836	0	0	0	0	0	0	0	0	0	0	0	0	0	1549	0	0	0	0	0	0	0	0	0	0	0	0	1065	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	510	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1079	0	0	0	0	0	0	0	0	1799	0	0	0	0	0	898	0	23162	0	0	0	0	0	0	0	0	4125	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.375	1.625	0.0
6	C8 H13 O3 Na1	181.08351	181.08382	0.26708427	181.08356	18287	21257	22640	20333	918	897	344935	0	0	0	57659	1333	0	20992	897	2329	3419	0	0	0	0	1032	0	0	639	222238	892397	34073	0	593	932	1659	0	993	0	1633	0	2962	19132	0	45997	0	3150	0	0	0	12448	0	0	707	22016	19316	670	0	0	37160	53287	0	0	51055	894	44405	1442	0	505302	1084	7875	10539	34384	1552	40463	0	1866	645	121674	1083	0	1068	3345	9751	3541	100486	211933	1575120	819	1224	3104	694	1574	4814	0	0	0	18499	0	0	21194	12161	88915	766	666	0	573	0	11716	1048	1264	0	2403	681	Lipid	0.375	1.625	0.0
4	C8 H13 O3 Na1	181.08351	181.08372	0.27986085	181.08357	0	0	0	0	0	0	1155	0	0	0	0	236	0	551	0	343	0	0	0	0	0	0	0	0	0	284	3508	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1658	0	479	0	0	0	0	0	0	0	26055	307	0	0	0	0	293	328	1388	11650	0	233	750	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.375	1.625	0.0
14	C8 H13 O3 Na1	181.08351	181.08366	0.13427258	181.08354	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17611	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	434	262	0	0	0	0	0	0	0	0	413	0	0	0	0	0	0	0	36098	0	0	0	0	0	0	0	0	0	0	0	0	0	0	306	0	0	0	0	9670	0	4381	0	0	0	0	0	0	19101	5431	0	5317	0	711	0	0	0	0	0	0	0	0	0	0	0	350	0	0	Lipid	0.375	1.625	0.0
12	C9 H12 O2 N2	181.09715	181.09737	-0.13665658	181.09712	56274	57347	62185	51643	45382	86607	56538	98470	28444	9924	4699	40058	26359	117688	48518	121257	65259	58948	62010	12440	8676	58793	65052	106553	65959	901	54883	11864	122291	98027	142199	128537	107754	174514	9438	94618	110748	58840	65630	2863	7432	83799	4085	4173	3680	25469	6282	4365	145444	78631	52403	56938	62702	3615	25465	9902	33795	105554	5714	7316	100752	0	29152	19357	31597	48023	88801	71433	0	5863	4432	127154	106042	62060	86712	113941	2278	60463	35533	42251	34383	10026	10178	3908	15533	30296	82315	80317	83149	181232	56294	27770	117153	8400	12720	5566	57162	59476	17480	11273	8028	119763	46701	17226	0	125934	22275	4220	51280	35699	Peptide	0.22222222	1.3333334	0.22222222
14	C9 H12 O2 N2	181.09715	181.09734	-0.12962693	181.09714	12949	9376	7360	10234	6896	7191	15578	12217	2925	0	4482	7821	3996	7597	9412	19889	20897	7861	5568	2724	2671	12373	3991	11726	7912	0	12307	0	8450	12205	11111	15688	9759	15083	4026	9368	15700	7950	23180	3571	0	8814	0	3473	2745	5004	0	3877	12773	13464	9904	0	7858	2577	3750	2720	7057	21258	0	0	0	1388	0	3359	4863	5487	6515	21878	0	2475	1644	12705	11902	11375	17733	15112	2393	6749	8578	0	8300	2637	5100	2330	2645	3913	11704	13810	8984	34949	15115	9396	25537	3100	4770	3796	11074	11309	5463	2137	2497	11396	7165	3317	0	16662	3590	3371	14481	5598	Peptide	0.22222222	1.3333334	0.22222222
0	C14 H12	181.10118	181.10138	-0.07183672	181.10117	0	0	0	0	0	35086	0	16647	12104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	69188	0	0	0	2110	2804	5101	0	1212	0	2579	0	0	0	0	0	0	2422	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13185	0	0	0	0	4483	0	0	0	0	0	0	0	0	0	0	14121	5662	0	44338	0	0	0	0	3811	0	0	0	0	4203	0	0	848	5843	0	0	0	0	0	0	0	0	92001	0	Phytochemical	0.0	0.85714287	0.0
0	C6 H16 O4 N2	181.11829	181.1186	0.07763214	181.1183	2173	1762	2298	3627	6720	13151	1531	29580	2592	0	0	4363	3231	9061	2996	0	3478	25970	0	0	9068	6347	4657	5824	4649	0	0	0	89614	3634	24551	18116	177194	31601	9452	15535	20052	0	6843	0	0	3861	0	0	0	0	0	0	14220	3553	3047	1775	0	0	4192	0	0	24561	988	0	2087	0	3614	0	1205	4927	34360	2631	0	1490	0	17499	20325	7929	0	11752	0	5597	1254	0	1893	0	0	0	0	0	0	8738	26767	0	2188	0	8931	0	0	0	0	2330	743	0	0	6421	7275	0	1485	32651	816	0	3623	27048	Unclassified	0.6666667	2.6666667	0.33333334
0	C11 H16 O2	181.1223	181.12263	-0.03140015	181.1223	31263	25432	19796	32813	27285	54869	43581	27964	34362	44966	30418	25842	25048	362069	33089	22798	29162	37511	43097	33164	31162	39675	23987	22626	23442	33972	47369	29423	33133	24406	26692	23507	33435	27981	36566	22362	24754	32167	26958	38492	35888	50803	49190	42539	43299	45219	25855	47098	24848	20400	24299	33902	27136	28342	25331	38953	39702	28541	30162	28804	87002	25975	127646	24742	41978	22468	153159	27738	37660	53386	37412	24346	35485	26147	16762	33837	37785	19916	24559	18816	30860	30309	67601	59694	25708	19762	27187	28062	38949	26197	33291	33553	30462	24254	43754	41250	20539	32769	38824	46069	35699	30848	35034	35347	31668	19682	25945	37395	28623	53861	Lipid	0.18181819	1.4545455	0.0
16	C10 H16 O1 N2	181.13354	181.13376	0.031082977	181.13354	1940	0	1507	2245	0	0	1345	0	0	7483	25942	0	0	0	0	5080	4659	0	0	0	0	0	0	2576	0	0	1511	92167	0	0	0	0	4638	0	0	0	6101	0	1893	0	0	0	0	0	0	0	0	0	0	0	2316	0	0	0	0	0	0	9903	0	0	0	0	0	0	0	0	0	4036	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11290	0	0	13679	8449	0	1489	0	0	1616	2682	0	0	0	3455	0	0	0	0	0	0	0	0	Unclassified	0.1	1.6	0.2
2	C10 H16 O1 N2	181.13354	181.1338	-0.16118866	181.13351	86644	88620	76479	80370	26847	41025	66243	102858	13307	49452	23822	44242	14162	20023	53415	245361	165024	39538	55160	39442	32001	129163	52657	169895	109898	4343	58958	32494	113564	84251	93559	115555	146424	72636	47995	121538	134318	52472	191845	22912	17146	38510	241	0	0	35903	15738	3625	120908	77536	81678	81508	36883	0	12341	3404	13232	196219	1613	6447	202560	7560	10992	9680	14484	29116	55334	201158	3332	21056	13929	67702	80071	88515	189843	94835	42658	49359	97642	16834	68438	9697	10883	17880	11863	23284	107563	45592	65346	315741	43037	33931	325645	12713	42646	423	75352	82624	13701	4967	5813	127265	36978	43953	6910	207913	10487	2685	103655	19987	Unclassified	0.1	1.6	0.2
18	C12 H20 O1	181.15869	181.15886	-0.13283566	181.15866	3743	4068	2448	4193	2170	4350	40060	1809	1000	0	4321	1589	0	30911	2769	2791	5040	0	3892	0	0	2034	1209	0	1825	13729	46158	3950	0	1715	1630	2737	1791	0	3142	4102	0	1739	8145	0	3425	6462	6737	3833	3889	3094	2518	4587	4219	0	2822	3603	0	4790	0	4119	3575	3189	0	5289	3359	1358	7370	0	21258	2085	13332	5047	1155	0	3020	2372	1380	2725	4242	0	4390	0	2764	5406	3324	3980	35638	67440	0	3901	3423	2601	5722	3201	3928	5212	0	0	2126	4333	2280	2956	3582	0	2161	4656	2416	3721	1806	0	1700	4126	1754	0	Lipid	0.083333336	1.6666666	0.0
16	C12 H20 O1	181.15869	181.15884	-0.075391784	181.15868	0	0	0	0	1179	1448	16089	0	0	0	0	1316	0	20336	0	0	1866	0	0	0	0	0	0	0	0	6081	16926	0	0	0	1937	0	0	0	0	0	0	0	0	0	2065	0	3731	3244	3434	0	0	2833	0	0	0	0	0	3487	0	0	0	0	0	0	0	0	7522	0	10612	0	4627	0	0	2336	2104	0	0	1643	0	1397	3455	0	0	0	1131	0	21184	47142	0	0	0	0	0	0	0	0	0	0	0	3148	0	1566	1093	0	0	0	1426	0	0	0	1205	2909	0	0	Lipid	0.083333336	1.6666666	0.0
14	C12 H20 O1	181.15869	181.15872	-0.17445992	181.15866	0	0	0	0	0	0	8005	0	0	0	0	0	0	4301	0	0	0	0	0	0	0	0	0	0	0	4657	6128	0	0	0	0	0	0	0	0	0	0	0	1198	0	0	0	0	2021	2017	0	0	1757	0	0	0	0	0	2105	0	0	902	0	0	0	0	0	0	0	4265	0	1118	0	0	0	0	0	0	0	0	0	2172	0	0	0	0	1068	12578	20272	0	0	0	0	0	0	0	0	0	0	0	1999	0	0	0	0	0	0	0	0	0	0	0	2197	0	0	Lipid	0.083333336	1.6666666	0.0
20	C12 H20 O1	181.15869	181.15887	-0.08767864	181.15868	15140	20028	22230	16060	7083	15290	229617	10744	3198	10376	19558	9148	3529	144835	10655	11652	24615	4708	7103	10723	7908	8034	5786	4922	7630	44837	273646	27248	11681	9291	7120	11893	10291	11641	6539	8789	9090	13972	25541	8179	22679	28884	46165	13210	14584	8482	24004	13451	9252	8822	17401	12995	7081	16533	2304	19266	30197	15955	11198	31280	15526	8350	32410	5214	127697	12349	40221	31504	11828	12878	25355	5760	11315	12335	21498	12934	22319	7316	4994	41533	7431	22215	89432	216889	8950	14438	13056	12147	12278	21602	32368	24544	8868	8039	10178	16057	16218	16512	30837	5896	10875	11305	10521	16071	14318	8661	10476	14538	12369	7667	Lipid	0.083333336	1.6666666	0.0
8	C11 H20 N2	181.16992	181.17017	-0.106050916	181.1699	39634	35588	29283	35380	1198	50850	26019	41553	0	2524	1534	25470	0	0	24805	108289	62312	13706	48538	4758	3224	10365	23700	66487	119564	0	37632	0	32110	23252	25466	32089	49841	28944	2408	26039	59461	19340	48949	0	0	24417	0	0	0	6466	2558	0	38890	27349	36510	32912	9346	0	0	0	9058	103692	0	0	46619	0	0	2004	14762	4208	31100	77013	0	5567	0	30356	17040	7265	35635	23972	0	24031	58282	6972	30562	0	0	3481	1458	6096	79788	50201	44099	458342	0	0	509427	2158	2578	0	36317	38161	912	0	0	58295	20898	2916	0	247087	0	0	80259	0	Unclassified	0.0	1.8181819	0.18181819
10	C11 H20 N2	181.16992	181.17009	-0.081100225	181.1699	4040	3830	3648	3495	0	1770	1287	0	0	0	0	0	0	0	0	3995	0	0	3393	0	0	16870	1503	2393	0	0	3090	0	0	1860	0	3244	4874	0	0	0	4649	1562	3401	1583	0	3178	0	0	0	0	0	0	4632	0	3121	4411	1860	0	0	0	997	17795	0	0	14301	0	0	0	0	1405	1568	10986	0	0	0	0	1755	0	4464	2173	0	960	5082	0	2322	0	0	0	0	0	7326	3320	3304	24381	4054	0	11804	1296	1858	0	4391	3002	0	0	0	5524	1710	0	0	6488	0	0	7624	0	Unclassified	0.0	1.8181819	0.18181819
0	C2 H4 N7 S1 Na1	182.02194	182.02217	0.03970776	182.02194	0	0	0	0	0	0	3448	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34978	1600	0	4706	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	930	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5625	4652	4626	6741	5176	2421	4778	5594	6497	0	0	0	0	0	0	0	0	0	0	0	0	5355	4755	0	0	0	0	0	5491	1189	6891	0	Organosulfur	0.0	2.0	3.5
10	C8 H7 O2 N1 S1	182.02702	182.02724	-0.010862049	182.02702	2617	2944	4096	1842	19096	4485	2231	3632	1643	0	0	1245	0	12609	2833	8777	3557	3682	4123	0	0	2498	1541	10045	6519	0	4178	0	2428	3797	6283	3654	7745	3879	0	2037	7532	2072	4576	0	0	1468	0	0	0	0	0	0	5151	2515	3184	3375	8936	0	0	0	923	12351	0	0	0	0	3076	2309	0	3226	4208	7050	0	0	0	3608	3335	1319	3684	2866	0	1343	4578	0	2706	754	0	0	0	2032	17415	5117	1987	35293	0	0	6323	0	0	0	3905	2992	0	0	0	4966	1717	0	0	7767	6155	0	5358	1718	Organosulfur	0.25	0.875	0.125
8	C8 H7 O4 N1	182.04478	182.04504	0.052349847	182.0448	20800	28852	16537	23815	25013	25935	16871	25583	31238	9340	14695	15488	34894	38376	21509	27088	29600	41161	37234	7792	5130	19793	28899	23970	17315	2496	21185	13181	22140	20575	23258	28017	29191	25796	14020	21305	28966	21523	35060	4108	3736	28512	4676	4770	7688	10522	3040	5840	26721	13363	22200	25676	31789	6671	28913	14834	23004	26890	5650	3957	23039	3248	46930	29022	19761	48114	26807	36025	3245	5433	3370	25661	24829	14870	16338	26150	5023	14981	21762	12698	22403	9023	6193	3043	21961	18015	33482	31120	37362	42585	16332	18302	41979	9664	7054	6942	25519	21012	21125	15920	18639	28591	19546	6597	0	31047	12983	5444	19856	49843	Phytochemical	0.5	0.875	0.125
6	C8 H7 O4 N1	182.04478	182.04506	0.035077777	182.04478	24266	30815	21296	26555	38232	34689	16590	25454	42431	10989	21309	17110	35337	35673	19343	28581	25440	60417	61055	6742	10731	25259	25201	32731	17603	2704	13208	11218	25393	19335	24709	26617	38776	29048	17103	22953	30466	20989	32505	7141	5407	41686	5319	4478	7016	12757	3897	5292	26400	20104	24768	27154	42231	7696	31119	16161	24360	37589	5541	5196	35515	3089	73324	28770	22357	56206	43774	33151	5460	5046	5063	23835	23549	20351	13477	21456	4496	13011	18282	13976	18612	9253	5840	3766	21157	22256	23537	39707	57483	36925	17896	20121	40566	10657	9871	7511	23405	20068	26255	17778	18543	36377	21170	7905	0	37818	16330	5263	18835	78573	Phytochemical	0.5	0.875	0.125
10	C8 H7 O4 N1	182.04478	182.04503	0.017906576	182.04478	47122	45202	31542	36071	87460	188450	14516	32428	74376	19416	27871	19811	98322	93656	20759	27389	22743	80830	99871	5618	7179	45556	35385	30305	17183	2290	18852	19015	47406	32439	57111	45192	126543	34405	21101	28179	126590	21275	26772	5186	3087	72131	5789	6711	7651	11643	2462	6959	24939	23074	45384	50878	39425	6545	30077	22075	23941	44007	3948	4077	32142	1603	47368	39319	23814	117248	78421	31499	0	3406	2508	24054	28508	22582	14192	33673	5402	17921	16166	19906	21726	7932	4918	2375	16613	17779	26918	31299	80782	29728	139440	425581	90311	14823	7978	9187	40962	46998	33783	15726	12609	63293	27434	4739	0	73074	9710	6547	15614	77133	Phytochemical	0.5	0.875	0.125
12	C8 H7 O4 N1	182.04478	182.04503	0.058572613	182.0448	15105	19719	20834	22098	33837	92767	7343	28350	22782	10854	11223	15062	76152	72245	18875	24504	19462	51343	37953	3253	4136	27530	37878	19304	25254	1992	11727	14505	19966	21687	35803	30442	37606	31970	5414	21901	36941	20522	23938	1829	0	28380	5704	5597	6679	10291	0	6911	23306	22858	24736	19909	30158	6822	32384	12790	16377	21815	7706	0	22197	2127	27456	25016	20435	39760	75274	23598	0	6381	3059	21779	18544	16551	17793	28177	3896	17461	15681	0	16079	7651	4779	2421	9628	15482	20500	18919	32894	29355	35545	120672	30110	6912	6382	7822	18041	21050	16118	10036	9602	25891	20160	5556	0	46422	9172	5994	12139	37097	Phytochemical	0.5	0.875	0.125
0	C5 H11 O4 N1 S1	182.04816	182.04843	-0.15387549	182.04813	2229	2984	1852	2351	8529	0	0	10665	2010	0	0	2456	6870	7648	1276	0	5317	7589	7681	0	2005	5893	4116	4285	3056	0	0	442	13537	1651	13894	3827	21173	9247	1468	4282	6232	1718	6008	0	0	5596	0	0	0	2546	0	0	6273	1998	2719	2389	7030	0	1923	700	0	17488	0	446	1553	0	10092	1625	1273	6273	16345	6452	0	0	0	6514	8207	3047	0	5436	0	1520	3016	2450	1933	0	0	0	1275	0	4893	4628	14489	9190	5243	4221	7992	0	0	0	0	2605	447	496	0	0	1692	0	0	18078	975	0	2469	14028	Peptide	0.8	2.2	0.2
6	C6 H7 N5 S1	182.0495	182.04973	0.006038526	182.0495	17986	22780	18855	19562	22222	95443	28483	4586	23768	3793	0	4508	9510	112167	3713	18401	20637	62761	50105	0	0	9608	12132	33786	21639	0	41767	0	13739	6368	30646	23958	51470	49260	1263	21109	44937	4159	27219	0	0	19229	0	0	0	7050	0	0	33435	3544	20229	19382	20178	0	3478	3450	0	36838	0	0	23130	0	10188	5994	24029	20498	28207	52062	0	3077	0	8872	47617	10766	7428	16551	0	6273	42932	0	44587	726	0	0	11028	18689	50829	33043	31171	85158	11114	4978	53362	713	0	379	20693	14520	15088	3248	6520	67465	4065	0	0	36200	5822	0	51551	13095	Organosulfur	0.0	1.1666666	0.8333333
4	C6 H7 N5 S1	182.0495	182.04982	-0.22446248	182.04945	0	0	0	0	0	10140	0	4940	0	0	0	0	0	1630	436	11478	0	2717	363	0	0	0	0	10683	33629	0	0	0	8591	0	1011	0	879	1235	0	5467	1644	0	0	0	0	497	0	0	0	0	0	0	0	2542	0	0	0	0	0	0	0	1125	0	0	2948	0	0	0	0	0	1334	0	0	0	0	0	768	969	0	253	0	0	642	0	0	0	0	0	0	5784	348	0	572	0	0	0	6440	0	0	0	0	657	0	0	0	1065	0	0	0	2608	0	0	1042	0	Organosulfur	0.0	1.1666666	0.8333333
4	C7 H12 O3 N1 Na1	182.07877	182.07916	0.23775713	182.07881	0	0	0	0	0	752	0	0	0	0	0	0	512	758	364	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2559	0	0	0	0	0	0	1113	0	467	0	323	0	0	0	0	0	5583	0	0	0	238	0	1580	0	0	0	0	0	0	0	0	26621	0	0	0	0	0	0	0	0	0	0	221	0	0	0	0	0	0	0	0	1262	0	0	0	0	0	0	0	0	0	0	0	881	0	249	1212	Peptide	0.42857143	1.7142857	0.14285715
8	C9 H11 O3 N1	182.08118	182.08142	0.005920149	182.08118	210977	262197	178726	217505	297886	263063	241732	266849	243456	62116	85230	208043	321885	217384	218038	344068	420127	339100	395366	77264	61638	136634	182182	245999	187633	15572	282300	118100	278398	249228	245270	363766	397021	312194	104670	283679	418978	192212	509276	50064	47551	253864	25208	25440	30967	89629	50420	28745	320192	238014	213400	228262	285202	27023	251949	134207	167195	287252	61863	59743	275066	24423	278027	201479	147685	324529	226574	451745	21904	37428	30063	275625	304238	236560	306925	327634	21364	196696	167302	115784	157575	72616	75460	31951	189384	168152	243538	300633	319132	347154	158638	132341	316423	49029	46788	28679	223064	222229	171844	179776	174769	378647	217375	86403	31739	263065	195657	24380	194191	378239	Phytochemical	0.33333334	1.2222222	0.11111111
16	C9 H11 O3 N1	182.08118	182.08139	0.001977682	182.08118	64183	73319	66398	71834	63928	123458	75984	109330	43844	13498	20596	84095	39278	84823	91093	102661	107261	89658	82398	17054	12356	47138	94364	126100	62626	4495	81199	45415	141137	88452	184115	146219	173195	178519	25620	116784	151352	72823	124595	14159	8632	102881	17109	23546	25346	29636	12253	24917	177584	97213	81939	71139	93950	18065	36753	28178	57606	129791	22735	14833	68545	7011	51418	32486	44366	82332	125062	128276	9531	10696	10487	157813	126762	69201	81068	138507	18001	50836	64645	78856	59017	18512	22230	8082	30748	44718	117742	125045	161229	153030	79505	39317	117920	16622	13537	26109	78436	62062	43697	30164	30749	161348	77407	22937	9540	133580	31569	21909	78414	66166	Phytochemical	0.33333334	1.2222222	0.11111111
4	C9 H11 O3 N1	182.08118	182.08147	-0.026734268	182.08116	131244	160267	129242	145142	202655	132688	179774	136621	172663	56812	66841	144549	190365	96181	102081	175594	226391	282499	239256	64506	63145	133872	102895	129377	100686	19321	176691	61581	133197	106329	149308	145322	213926	132687	88634	123298	196871	108399	269006	53861	48691	182241	30956	25232	34389	75173	55268	32948	159151	116726	144616	112626	189672	27894	180544	129236	142144	196941	57182	66596	170759	28983	232676	168248	119675	196723	143475	216564	29891	37860	36453	111504	115730	120930	115094	134129	20949	124608	111313	81339	105982	63791	68251	33900	143355	134156	129768	203231	213209	176850	114226	83015	189184	42792	44833	43929	123311	150462	148169	160002	156278	183808	167505	79422	49235	153864	146314	29098	114150	253627	Phytochemical	0.33333334	1.2222222	0.11111111
2	C9 H11 O3 N1	182.08118	182.08147	-0.011081225	182.08116	240099	232875	216225	238749	280352	554200	68006	162244	171158	54071	172893	115877	386841	235675	96129	88914	177141	350743	275030	52079	75603	140381	105824	148799	77865	20569	56739	201081	218189	131923	200307	250190	296903	243060	969443	177457	292543	87897	220872	62410	66041	470876	48778	27967	32259	73546	44733	35603	232451	114306	234235	222950	235226	133250	164255	116467	111476	284367	36772	68898	125210	20381	405860	127267	118735	336423	248723	225457	33128	48969	63829	180092	238793	159099	85257	166276	26334	107228	96858	168784	186431	47789	38987	21828	150530	124235	85979	442490	282373	169545	0	819162	195052	123909	31066	52772	214019	245505	376290	131906	153503	290677	168707	70850	54904	229802	152989	30741	74900	301913	Phytochemical	0.33333334	1.2222222	0.11111111
10	C9 H11 O3 N1	182.08118	182.0814	0.008763285	182.08118	153045	146375	133520	137607	141596	131120	195663	211859	125721	43502	57736	171330	135676	109393	193182	264351	300803	196681	195760	59231	44831	99513	147815	190053	185748	12069	264151	75677	212517	203536	188811	248530	300375	216788	59097	210182	282988	180615	376437	37006	34052	149790	25732	28443	28868	59365	34862	30838	219509	167132	148696	148844	145686	25399	137969	89183	99544	274940	51882	41908	237212	17038	96634	101743	92506	161202	132064	368519	20673	23207	20085	184366	197278	197600	300619	218267	25147	144266	152430	79514	145986	51015	53138	20369	100181	119540	196974	175226	174693	299862	109510	79785	226846	31297	38555	28234	145163	152311	112154	107194	109894	254096	180371	67024	28030	181396	106086	27229	162068	161613	Phytochemical	0.33333334	1.2222222	0.11111111
6	C9 H11 O3 N1	182.08118	182.08144	-0.019576535	182.08116	180234	215104	163018	188576	175214	164273	199373	215345	205665	65477	85139	153656	162640	160263	165261	254730	285605	293123	294239	77303	77983	134911	157320	191908	146548	16143	193813	106045	247588	215303	221231	265891	354058	225495	100191	249555	341924	160999	423811	38560	48032	217074	26611	24548	26760	89630	60993	26060	263436	196083	193436	196338	197364	24842	206175	121691	141541	288808	73248	79297	236040	29676	182322	132580	110865	196077	205478	391199	27598	38669	35631	167928	188656	224980	210468	232711	18819	149120	121239	123999	129995	69027	84879	33998	154389	164443	176265	200470	248400	289191	174548	129156	274889	52289	54258	27923	171015	174945	124772	136963	166129	359595	176213	94202	41930	241827	162896	24695	139057	262600	Phytochemical	0.33333334	1.2222222	0.11111111
12	C9 H11 O3 N1	182.08118	182.0814	0.010616568	182.08118	92232	132216	101745	117899	70344	67675	143346	126077	68377	30583	44805	82955	66394	62971	134245	179384	182332	115156	115679	37798	32277	97635	97934	127302	115821	8455	151751	60519	128354	141876	121176	170648	168752	148899	43879	141014	176690	112855	199882	28893	24618	92231	18286	26606	26836	47642	34161	30369	160737	125788	122994	121556	82204	20950	78411	40151	69192	162765	34521	35812	138793	18877	66112	56685	59106	96639	74770	166127	0	22496	16979	122429	138947	138077	196007	154151	15446	97534	95763	55632	97817	39962	39460	16874	51625	70161	119138	105759	95540	200785	105383	77670	183304	28819	43248	25422	118210	118289	56027	48716	53569	169404	110977	43506	19571	125087	55682	26161	104793	98632	Phytochemical	0.33333334	1.2222222	0.11111111
2	C8 H11 O2 N3	182.0924	182.09268	-0.0854261	182.09239	9791	8718	7312	8755	11566	0	6710	10117	7554	3049	4307	7280	10646	4604	5772	11737	15255	14806	15132	3275	2924	8903	6861	12981	6552	450	4347	4072	12334	8002	11588	11009	12395	9015	4650	11236	10656	6596	17004	2535	2131	12358	373	265	325	3417	1935	0	13614	7883	8105	8754	12495	0	9044	4118	7327	20439	1303	2209	13925	800	9876	7990	7666	11730	10846	19205	0	1770	1243	8770	9903	7430	7629	9558	0	5033	7012	3178	6124	1486	2175	1436	10663	8416	11918	16716	12363	18917	6534	2916	19962	1511	1366	472	7974	9381	6067	7419	7576	10906	4770	3585	1335	15357	8908	0	10021	15405	Peptide	0.25	1.375	0.375
4	C8 H11 O2 N3	182.0924	182.09268	-0.05832253	182.09239	4810	5801	5069	4553	5094	2349	4287	6598	3076	0	1856	5259	3354	2054	5601	10605	13904	5268	5547	803	1313	7150	6520	8350	4745	635	3776	0	5473	3144	5557	5981	7397	4099	2252	4041	6581	6687	17381	1354	1305	6248	0	324	392	2814	1473	407	4529	5381	5096	3854	4928	195	4350	2313	3586	9971	1265	2482	8409	0	3391	3716	3355	4193	3866	16282	847	0	0	3334	3072	1911	6808	4125	238	3746	6209	0	6432	1325	2640	632	2144	4278	7920	8471	5145	19453	0	1494	20358	791	1011	698	4424	4144	3917	2429	2569	8226	5239	2396	0	10700	5647	392	7661	4006	Peptide	0.25	1.375	0.375
6	C8 H11 O2 N3	182.0924	182.09265	-0.061227456	182.09239	6907	6826	5407	5831	5213	3129	6399	7861	4210	1272	1775	3628	4835	5510	5669	14582	8145	5251	5251	911	1309	5571	5064	9250	6787	0	4884	0	5007	5147	8043	7828	7799	5834	2062	6445	9914	6104	11606	0	1368	4569	0	280	286	1520	0	285	8608	7909	5607	6018	6697	317	3643	2439	3233	10935	908	2392	9188	0	3362	3083	2375	4544	4823	11488	0	0	0	5935	3864	4400	6720	5408	0	3713	6463	0	4774	1278	1758	1211	3115	3914	9026	6083	5612	21053	0	2181	17383	743	0	0	3640	3808	1932	1523	1672	7393	4112	1468	0	12515	3244	0	6987	5885	Peptide	0.25	1.375	0.375
0	C6 H15 O5 N1	182.1023	182.10265	0.04544656	182.10231	0	0	0	0	5181	14312	0	2133	651	0	0	0	29552	45407	0	0	931	22802	7364	0	1443	1645	0	0	2481	0	0	0	5534	1707	1715	0	6434	4816	0	0	2013	920	0	0	0	25831	2141	1859	2763	1340	0	1284	1484	0	0	0	3938	2857	1415	847	0	2217	1094	702	0	908	5940	1239	0	12207	45429	0	1180	0	0	5071	4564	2261	0	1549	1395	0	0	738	0	0	0	0	1141	0	829	4799	15906	0	1302	0	0	0	0	1946	0	0	545	0	0	0	0	0	1072	1731	1291	1349	0	10957	A-Sugar	0.8333333	2.5	0.16666667
2	C6 H15 O5 N1	182.1023	182.10258	-0.06069086	182.1023	2426	2862	2889	2805	2572	42579	593	966	450	2586	3985	396	54925	4440	0	310	0	75558	770	3534	1967	2392	539	1289	478	1032	0	25503	2002	563	698	596	0	3998	879	621	3984	273	0	4874	2201	0	3033	2378	4573	7497	5660	1766	673	820	2214	2404	854	13269	1036	436	1095	0	1002	752	3542	2656	5898	672	0	49661	4345	0	807	7632	4067	13029	4443	909	0	569	1790	411	494	0	603	1206	1287	684	1325	1806	491	10571	682	0	0	3266	0	25321	9947	6654	2411	4483	889	404	2953	0	292	5444	32624	593	943	5546	432	16473	A-Sugar	0.8333333	2.5	0.16666667
0	C8 H16 O2 N1 Na1	182.11514	182.11546	0.13464645	182.11517	0	0	0	0	2817	0	0	0	0	1384	0	0	0	0	0	3261	0	7447	0	0	0	0	0	0	0	0	0	0	0	4323	0	33793	575	2546	0	2250	0	0	0	10439	0	0	0	0	0	0	0	0	12213	0	1950	1735	0	0	0	0	0	0	0	0	4240	0	0	0	0	0	0	0	0	0	0	0	5769	2661	0	3653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	2.0	0.125
12	C10 H15 O2 N1	182.11755	182.1178	-0.002679644	182.11755	75714	91013	80973	82726	46661	52530	86212	81371	28735	33620	29355	61440	38879	72625	61428	266694	196003	68897	60929	39906	35321	50861	61433	88067	71972	8249	163675	27892	105487	116629	89301	161567	119011	132927	37041	120584	140120	55389	202271	17614	27906	83926	4350	3406	2668	37608	32183	3019	160413	94061	85040	75246	55502	16550	20513	17082	36563	142803	12684	33349	190221	8506	34346	21750	37076	85569	58722	177111	0	16937	16829	87613	117924	120468	346294	128809	1731	57017	57030	27411	44702	24009	29129	15586	23031	39244	106572	98904	65056	116028	79270	50745	88162	16312	61191	6838	96310	79639	23601	19633	27656	223296	56201	49686	0	102500	27296	3017	64769	48806	Lipid	0.2	1.5	0.1
4	C10 H15 O2 N1	182.11755	182.11784	-0.019157112	182.11755	27496	25632	26397	25599	22849	13767	44929	21767	13393	11466	12230	24609	22496	11301	10646	28715	30462	22305	22095	16213	16341	23631	12338	17223	10593	5017	52846	8217	29960	36419	28644	39778	44091	36749	20812	39966	34012	13854	37040	16828	27542	20923	3454	2654	2687	17554	21834	3150	39642	22744	26207	23498	19369	3204	16052	11830	12376	36301	6944	12603	28343	11166	22133	15394	9540	24326	16840	36517	4582	7652	8819	25481	43437	57600	34904	40796	1923	22881	17067	7169	12306	12102	11475	10626	14386	9347	22332	18746	26614	30765	90802	111565	28723	10837	14547	4931	23702	25972	12854	16183	17161	31220	25071	16360	11671	20877	14289	3129	14784	23937	Lipid	0.2	1.5	0.1
8	C10 H15 O2 N1	182.11755	182.11781	-9.88083E-4	182.11755	57544	65793	51006	62770	49053	31953	61315	47549	26255	77665	44352	33749	30317	41426	33353	72112	94021	45527	42322	113917	113715	83660	25698	51249	44143	56195	65407	46934	57238	47611	41967	57619	61654	63589	100139	57813	76268	28700	112609	73268	88068	38309	3692	2624	2533	108316	172261	2897	62588	40217	48598	59279	45460	3489	28519	15397	25069	78857	52236	91966	56981	45862	30919	21246	21717	42606	37138	92420	36817	50264	58785	45008	53424	53383	60032	63520	1646	28629	30519	60424	19899	87952	93726	66428	21397	21920	53210	40874	45312	89065	81002	111924	69306	68460	105490	2630	58219	60370	27246	21345	20733	67929	32151	81668	48262	47437	40910	2678	44645	34745	Lipid	0.2	1.5	0.1
24	C10 H15 O2 N1	182.11755	182.11768	-0.003983223	182.11755	0	0	1272	1956	2694	2224	0	0	0	0	0	1930	3841	1385	0	1390	1764	0	1957	0	0	0	0	0	0	0	1224	1060	1624	1642	0	1326	2057	1582	0	1692	2524	1529	1256	974	0	2253	2206	0	0	0	0	2219	1641	1347	1849	1275	1561	0	0	0	4570	2081	0	2665	1052	0	3729	0	6133	32211	40986	2586	0	0	0	1368	1878	0	1897	3095	0	0	1067	0	1304	0	849	0	0	0	1480	1008	4519	3093	1504	0	1311	0	0	0	1921	1169	0	0	4686	0	1701	1898	0	1120	1210	0	1492	2012	Lipid	0.2	1.5	0.1
6	C10 H15 O2 N1	182.11755	182.11783	-0.01097931	182.11755	23794	27942	21164	20133	13437	10609	23185	20379	12210	28033	18850	12439	12914	9654	13770	28481	25143	21027	16170	25898	30468	38258	11720	20869	18041	19535	22450	15435	24604	19486	23125	27450	30212	25903	33123	22439	33806	16189	40937	21032	31404	15686	2534	2451	2197	35552	55203	2349	25442	15763	24796	23973	15377	2524	12074	8095	10234	31045	23555	32460	22954	18916	12316	9592	7799	14211	18247	35447	14506	20184	24853	20927	19772	25182	23933	21565	2018	11230	14094	20828	12813	31935	34160	20375	6466	11942	24237	15245	21614	41526	38556	49325	28637	27070	35598	2416	21200	23843	9119	9190	10288	23870	17553	32525	18692	22528	12949	2422	17661	15374	Lipid	0.2	1.5	0.1
2	C10 H15 O2 N1	182.11755	182.11784	-0.07842832	182.11754	54144	57697	47298	54164	48818	35988	32173	62985	32771	47983	25850	32242	46618	36510	32785	80520	68564	65250	67110	44217	51045	68373	33140	62410	36831	6335	35592	22366	84126	54893	59027	75121	88184	66968	51749	67929	84543	27133	78783	45550	32518	43630	2907	2472	2779	31094	27732	2523	98850	39094	53059	55383	48939	2133	34128	17241	20416	103254	8860	19978	69823	13709	42110	27269	18646	49888	53167	74967	7327	15502	13288	54133	68267	59774	60076	60913	1978	31715	37311	13311	28764	14633	16612	23513	26341	20079	46271	43267	59228	102402	114300	147952	101493	22792	45787	3613	56144	53484	23882	27705	28530	80566	30088	54817	15172	78544	25743	2585	36243	59002	Lipid	0.2	1.5	0.1
10	C10 H15 O2 N1	182.11755	182.1178	-0.006068896	182.11755	67813	57221	53255	58735	36788	94612	65277	64141	23701	63378	43465	41907	23548	28733	38598	84935	122143	42309	45567	97731	96950	60484	25702	44392	41448	42453	102476	48350	84454	75164	66587	93967	95519	85862	71974	87847	99883	38466	142043	64080	73606	64674	4818	2781	3081	79409	90010	3312	80861	59402	61824	62711	44924	3524	25008	17633	21777	94785	50243	89472	79361	29163	18778	17461	22525	43656	39077	139125	29895	51380	54515	55367	72418	100329	120720	79257	2048	34150	29586	49173	26294	67475	74510	46432	19649	31120	46487	44602	43365	61400	95094	86055	47514	63151	114253	3872	57769	65800	23339	17926	18221	88462	37590	85457	31828	51051	30975	2774	45629	28527	Lipid	0.2	1.5	0.1
2	C9 H15 O1 N3	182.12878	182.12907	-0.068403766	182.12877	7587	7550	5261	8873	2533	0	3898	6726	1748	17578	4617	3868	1522	1666	5097	10230	8997	4729	4723	16579	13259	12318	4678	9285	5811	2882	3689	4973	5773	4939	5855	6667	8526	5514	15564	7708	7706	4542	11710	18056	15435	4552	0	0	0	7161	9811	0	9491	5068	5949	7010	3013	0	1465	575	1902	12490	453	1697	8957	6251	1498	1611	2758	2924	5282	11964	2172	7697	7685	5699	5299	4724	10625	6521	0	3718	6859	2669	4969	3023	1492	9816	1269	1921	7713	4415	5357	30318	8974	4587	24701	3991	13370	0	5769	6516	1453	694	606	9766	4081	10654	3213	11058	1187	0	7243	2861	Unclassified	0.11111111	1.6666666	0.33333334
2	C11 H19 O1 N1	182.15395	182.15424	-0.047320016	182.15393	114423	106054	89013	102326	12659	28207	35776	38118	7900	133731	46998	30216	9831	36066	16871	171198	793589	17555	20310	89328	94149	65935	16868	45302	31280	44927	42983	39481	35260	41697	33759	39122	275905	30478	144265	39716	320555	14227	620935	75711	48773	74705	5515	0	0	36644	78518	368	66387	41212	103171	110301	59081	0	9329	2983	118697	81443	1046	2757	118847	27010	7881	30589	101817	68219	103326	1109648	29938	66015	118321	38147	40711	42996	111058	40299	550	31219	17406	22714	12876	10762	7526	73947	4286	147232	25645	25501	38637	66231	112155	35389	102752	47502	119977	407	128759	119688	16747	2567	7511	192252	27235	59861	18664	1411722	3934	0	16513	8831	Lipid	0.09090909	1.7272727	0.09090909
4	C11 H19 O1 N1	182.15395	182.15424	0.014283569	182.15395	4238	3930	3905	3922	1139	1356	4670	3322	518	5665	2412	2407	1192	5041	1321	4737	4411	2475	2954	5359	5534	6894	1355	1732	3563	3828	3730	3535	2267	4026	3473	2942	4954	2961	11773	3364	4273	990	5001	4068	2936	1424	0	0	0	3172	4548	0	4594	2716	3392	3766	1720	0	784	395	1636	7821	0	0	3817	1830	1073	595	1448	2116	2226	6774	2337	4411	5367	3192	4943	5038	4189	3972	0	2115	2226	0	1857	1086	1553	28656	648	1098	5740	2588	2186	11203	7327	1799	5496	3994	6714	0	4076	4749	772	747	482	3927	1871	2415	0	4898	714	0	4121	799	Lipid	0.09090909	1.7272727	0.09090909
2	C12 H23 N1	182.19032	182.19061	0.004638983	182.19032	2212	1886	4237	1361	0	0	11436	51564	0	2837	3725	12330	0	345	25654	88129	12549	0	0	6061	3727	0	19381	30921	42972	638	5929	10161	67728	36544	39117	12820	3086	25438	365	56089	8113	14932	7644	0	0	0	0	0	333	1456	222	0	51449	52111	2605	811	464	0	0	0	587	16707	0	0	37399	0	0	264	8093	0	5294	1840	781	1592	0	25275	22488	59603	2335	15538	406	17395	3210	1952	1772	0	0	740	0	1505	696	596	16961	0	20278	0	13404	0	286	0	4815	7791	0	0	0	4071	4592	288	408	16535	0	0	17313	0	Lipid	0.0	1.9166666	0.083333336
6	C12 H23 N1	182.19032	182.19058	-0.032403853	182.19032	98766	95569	88232	94352	34337	32387	6431	3353	3195	87881	76064	2270	71403	61710	2771	3088	5501	21683	34163	17183	32723	38554	43401	0	6162	5520	11033	22335	2446	3401	8515	5071	5956	2920	24470	3463	6124	2348	2102	5301	1253	14353	3628	968	3610	146226	248707	3893	3930	4401	95223	80541	107501	2100	17411	11396	39418	3360	2029	615	3339	14453	7870	15237	55690	138268	557469	10122	4671	3068	4323	3905	3580	3738	3442	2664	1534	11623	2068	79089	6647	1995	888	6465	18217	25870	1049	29780	57895	3607	43095	1278	4143	124793	64995	1066	87661	84685	30551	1314	12215	4483	3456	2493	8919811	3809	21593	2777	2005	1045	Lipid	0.0	1.9166666	0.083333336
8	C12 H23 N1	182.19032	182.19057	0.03126261	182.19034	4917	4238	3648	2479	37414	2111	0	1051	3606	12083	7812	952	174884	24099	1646	1559	0	1838	9467	12022	7775	243922	1503	2912	4882	5244	2963	4438	1538	1697	1520	1379	5454	1385	25442	1106	11336	1153	0	3479	0	0	804	369	449	0	2469	362	0	0	4485	4274	5712	430	7796	5485	2116	1214	0	0	0	1111	68748	6732	0	514960	3484	0	0	4358	3077	1345	2138	4659	0	2854	438	774	2108	5353	1690	0	0	5514	7142	0	1751	792	1419	3053	11476	0	6312	8838	14194	427	0	3119	2956	14587	36108	3874	688	0	25106	4211	6434	590	1443	13320	Lipid	0.0	1.9166666	0.083333336
4	C12 H23 N1	182.19032	182.19063	0.001636226	182.19032	28995	30733	27001	29942	1186	2586	27387	17580	529	24318	9895	17808	1849	4047	4927	36706	3625	2533	8587	9910	9745	1668	31058	20005	13937	491	39663	9396	36241	39377	24940	88346	21502	60304	24639	67824	20670	15662	10029	1084	0	5445	0	251	247	5926	1674	0	62457	14687	32411	30394	3044	304	1014	628	6613	61155	0	0	38897	0	18730	3915	5461	4034	5592	18202	0	1736	0	47615	97033	66944	173775	74186	366	20599	19141	0	28650	0	0	1426	1997	1323	9740	11537	93600	15235	49573	0	18177	2481	3540	0	26965	25521	937	754	1846	17299	21406	0	0	14445	475	0	31269	376	Lipid	0.0	1.9166666	0.083333336
10	C8 H6 O3 S1	183.01105	183.01128	0.02980377	183.01105	5137	3507	5666	3638	8218	7721	4049	5421	3801	0	1338	4426	6100	5967	3687	33347	15876	13526	8861	0	0	3609	3321	4997	6072	0	5440	2729	8349	5616	5021	7849	10677	10910	0	10830	6822	2158	12315	0	0	12119	513	0	412	0	0	0	7825	4539	4773	4872	4760	424	2272	1635	3273	21057	0	0	15608	0	1911	2760	4142	7704	6238	12322	0	0	0	3709	8019	5098	25321	6505	0	2443	3423	11264	1336	0	0	0	3389	4399	6698	14995	15047	9258	0	0	5615	1519	1530	896	3257	4909	2610	1433	2783	8919	2820	0	0	9116	4721	0	5418	5128	Organosulfur	0.375	0.75	0.0
8	C7 H6 O2 N2 S1	183.02228	183.02252	0.10776289	183.0223	20975	22898	15089	18736	5352	12053	35554	39969	2085	6547	6796	32793	1690	5127	15137	48686	47875	5603	5112	2835	1152	6022	9658	19883	9393	0	39714	14831	46076	53808	67921	76384	55242	65333	6906	39508	57593	18756	74434	0	0	11376	0	0	0	2919	0	0	131097	59378	17791	20353	7651	0	2452	674	4712	41689	0	0	51265	0	964	3102	4719	7408	12260	77076	0	2701	1956	59660	53500	25946	70305	56905	0	25307	10122	0	12568	1112	0	0	1154	0	7444	17221	13947	21519	0	0	17435	0	0	352	21938	17150	2733	1604	0	33062	33443	0	0	40912	3055	0	15046	3375	Organosulfur	0.2857143	0.85714287	0.2857143
8	C8 H6 O5	183.0288	183.02907	0.005588129	183.0288	9735	14176	0	13489	29451	19225	5887	8177	24158	1524	3954	6230	50754	21530	6106	8526	6173	29184	35439	2509	3064	6242	10231	5811	4634	1215	3359	0	7771	9044	12188	10381	8533	9972	5043	6610	9056	5817	8301	1808	2951	13323	2624	2491	5045	5843	2531	3754	6806	9102	7078	10095	16464	4753	18376	16196	12716	8195	2471	1872	5095	1799	44422	22092	8352	38667	14865	7220	0	0	0	12386	9206	9054	6830	10639	3237	6443	7652	3047	8037	3058	1805	0	20072	8957	8843	13295	21007	6103	0	0	7414	2227	1855	4598	10557	9362	14982	22592	24483	8802	7958	1752	0	6217	13925	2855	5130	47872	Phytochemical	0.625	0.75	0.0
12	C8 H6 O5	183.0288	183.02902	0.063211605	183.02881	11183	8649	7298	11559	20147	15663	5122	6251	22594	2209	2280	5136	21645	16004	8456	5722	2914	19683	21500	5256	2511	6937	10290	5157	2685	0	4119	0	6667	6624	10435	8322	10083	6928	2770	5446	7892	8680	3700	1253	0	9110	2167	3523	4692	1915	0	5299	6842	6291	7771	7779	14195	3729	18140	12442	10154	10853	0	0	0	0	36188	15576	8381	31714	10494	4220	0	3070	2763	7804	6226	6441	3962	8334	3033	7058	8811	0	7935	4226	2918	1221	17175	8995	9554	9230	14331	4742	9031	3837	7196	0	2053	4483	9043	7696	13810	18139	15794	6170	7163	0	0	6460	11359	3330	4563	33731	Phytochemical	0.625	0.75	0.0
6	C8 H6 O5	183.0288	183.02907	0.07120506	183.02881	7053	9273	5547	6729	25913	12303	3252	4615	18997	2022	2994	6342	33667	18399	4169	3450	3751	20932	20152	3425	3492	5762	6845	4869	3080	2366	2551	2504	5462	5429	5748	4391	9471	7697	4670	4984	7889	4259	3009	1988	1827	9486	2380	2789	4711	4583	0	3473	5797	5034	7246	8014	13685	4998	12101	14073	9194	6252	2528	1641	6070	1807	31773	12234	6264	25051	10668	3840	3455	1339	0	5893	8394	4857	2107	5411	2640	3923	3362	0	6417	2968	2197	1535	14387	7873	5182	9644	11620	4387	3615	2027	6651	2375	2309	4432	6669	6515	10744	18035	19287	7492	6921	2080	0	6483	10590	2735	2836	32273	Phytochemical	0.625	0.75	0.0
14	C8 H6 O5	183.0288	183.02904	0.037572227	183.02881	5068	5496	6327	5413	14300	9329	2476	6871	12726	0	3517	5943	25769	11226	4714	2438	3978	14850	9822	1948	2469	0	6137	3399	4534	0	3313	0	2648	3287	3387	0	4400	5041	0	3511	3947	4450	1935	3433	0	5757	0	3036	3695	4044	0	4617	2572	2354	4870	5994	10308	2834	10105	13438	7512	5536	0	0	0	2720	18808	10423	6512	14207	5674	5033	0	0	1943	3224	5125	3217	3285	3325	3377	5420	4197	0	7565	2332	3039	936	14391	5192	6276	7356	9077	3872	4035	5152	3793	0	0	4537	4123	7405	8276	16173	12890	5531	5776	0	0	4716	8991	3465	3702	18591	Phytochemical	0.625	0.75	0.0
10	C8 H6 O5	183.0288	183.02904	0.06375894	183.02881	10619	8348	6639	9177	26936	21150	4226	9317	25156	2327	2727	6962	42394	24385	8703	6026	8127	30635	27927	3375	4043	5917	11115	5553	5372	0	4266	3224	5861	6978	10950	8156	10269	5561	2774	6870	9728	7706	4680	2055	2697	11461	3961	3074	5286	3143	1642	5492	7404	5733	8036	9305	18565	4204	20072	19272	9350	9469	2473	2834	0	2174	36702	21632	12136	33479	15412	7887	0	1439	1907	7760	7440	6513	4597	7862	4019	7475	7992	0	9579	3147	1424	1974	24576	13508	9817	10529	14901	6839	4381	4663	6415	1848	2478	5552	9288	8703	15734	21840	20061	7582	9012	2953	0	7581	13898	3208	3887	43837	Phytochemical	0.625	0.75	0.0
14	C9 H10 O2 S1	183.04742	183.04767	0.039472315	183.04744	3041	4799	0	3816	7065	6541	0	2739	3690	3840	4297	1726	4488	4817	1877	4253	4452	6944	4000	4217	2109	0	2309	0	4894	0	2533	0	0	1829	1687	0	2659	2772	5536	1593	5026	3415	4518	3347	0	3786	0	0	435	4333	0	500	3839	1387	3709	0	5196	364	2615	3109	2330	6202	0	0	0	1752	2230	2970	3440	6129	4442	0	0	1842	0	0	2093	0	1338	3657	0	1584	1446	0	1651	3930	6112	1340	3140	3701	5580	4192	5459	0	25139	19216	3176	5854	9663	0	4195	4434	5411	3639	2785	2683	0	4758	0	3401	2558	454	3282	5135	Organosulfur	0.22222222	1.1111112	0.0
18	C9 H10 O2 S1	183.04742	183.04765	0.022092117	183.04742	5390	2062	2932	2860	4226	6434	1839	0	3117	3697	4762	0	4897	4405	2042	3424	1942	5686	6010	5195	2730	5178	1685	1975	3208	0	1074	6785	0	1744	1383	2277	2899	0	0	1970	3828	2018	4169	2878	2186	3962	0	0	316	3149	2108	346	2116	0	2063	3106	2628	439	2149	1479	1499	1880	3429	2276	1804	1518	2615	1450	1507	3134	4991	3567	0	0	0	0	0	0	2104	0	303	0	0	4466	0	2419	3630	1564	1479	3128	4911	5235	4359	2629	33320	20890	2406	5651	8146	546	3491	1655	3638	0	0	2308	1276	3539	3185	1557	2540	0	2699	2531	Organosulfur	0.22222222	1.1111112	0.0
16	C9 H10 O2 S1	183.04742	183.04762	-0.034793682	183.04742	4843	3734	2599	3611	9690	7939	1611	2488	3272	3155	1735	0	6002	3579	3621	4114	3189	10662	6789	0	2634	5245	1905	0	4795	0	3508	4006	1852	1607	1597	2950	5492	2545	6251	1697	2911	1813	6833	3557	2241	4597	528	0	329	2746	3231	463	1903	0	3560	3901	6729	440	3054	1641	2163	5001	4463	3899	0	1392	0	2494	2636	6230	5642	4746	0	2228	1346	1776	2842	0	0	1427	0	0	3810	11381	1031	3580	2699	1686	3370	2174	4176	4761	7060	0	20667	15019	0	5997	7922	0	3405	2749	2863	4036	2639	5583	0	4546	0	0	3863	0	4417	5469	Organosulfur	0.22222222	1.1111112	0.0
20	C9 H10 O2 S1	183.04742	183.04759	0.05498812	183.04744	0	3450	2049	0	2898	3343	1471	0	2035	3474	4222	0	2446	0	0	0	0	0	3420	2674	3862	2917	1423	0	2669	0	0	2500	0	0	0	1441	2122	1792	3341	0	3693	0	0	3520	0	1642	421	0	0	0	0	0	0	0	1674	2037	2933	0	0	0	970	2452	3603	2463	0	1961	0	0	0	0	2717	1904	0	0	0	0	0	0	0	0	0	0	0	4582	0	0	2183	0	0	2314	2252	1182	1945	1983	21255	15387	1894	5376	3389	0	1808	2586	2746	1252	0	2239	0	4682	2870	2186	0	0	1505	2064	Organosulfur	0.22222222	1.1111112	0.0
12	C7 H11 O4 Na1	183.06277	183.06299	0.41061252	183.06285	213517	276873	214848	240885	389555	377681	231945	253187	424466	97174	136344	133291	436489	462619	246326	253160	205501	506062	475195	138734	103002	141137	246872	172612	217664	56311	289463	150821	304636	241639	275989	282378	318320	254625	151302	240726	285840	243151	206791	92853	86657	288287	86899	84028	90071	116646	75837	102367	283817	198177	238511	256176	342562	73718	458241	257910	269214	279486	110621	88180	278472	62198	497602	322630	256770	511355	324286	182522	64468	79527	66131	210316	246987	272842	204717	296884	64606	195737	179433	157740	197149	118969	125012	83913	261717	261095	241271	220248	295854	166031	157053	167132	215280	76292	87651	98054	252556	249452	302566	302835	324298	284488	213026	111041	81226	208132	314787	85045	163246	530421	Lipid	0.5714286	1.5714285	0.0
10	C9 H10 O4	183.06519	183.06543	0.011481972	183.06519	295309	267858	234550	252000	496133	1201987	229748	341071	735291	111469	126442	202818	694543	454797	290402	286103	248715	813411	550851	136287	116561	156848	290197	228921	220708	59664	231930	150997	353404	321953	289080	316389	387563	313182	150392	288910	364165	258186	275941	93397	90335	340006	88052	79137	99075	132244	71228	102422	306818	244480	295095	294846	406260	79219	480017	311886	211945	369394	110588	92662	350388	62757	501397	366483	255993	611055	361990	264885	74745	89588	75293	320309	310396	323130	231302	326212	85886	202432	211911	178627	226316	124399	136956	90881	397080	314753	281100	290714	358344	169287	220014	154907	220110	106265	87456	92837	269009	294510	361844	390911	429444	309530	243213	132797	102710	250531	328110	88221	185338	616707	Phytochemical	0.44444445	1.1111112	0.0
8	C9 H10 O4	183.06519	183.06544	0.019729707	183.06519	361430	398519	299726	396189	578642	504229	256490	802401	571805	133831	145157	268008	751929	520562	875266	520606	351274	698653	811937	191177	150506	198332	366030	280407	235412	72498	249157	138992	495180	382743	775106	471122	409869	424476	249783	423523	438337	681028	377712	105868	105722	457310	84342	76159	106290	175084	100122	101468	421298	302571	338734	369840	495386	94886	543315	333660	339972	483082	125141	102247	468042	75356	740184	479791	345979	705338	500312	361677	101936	121760	91890	436987	427511	377192	290449	452856	81573	278238	254686	164596	241336	147823	170250	127054	411403	331511	322895	414937	533820	235628	156241	158464	284568	107475	107208	100717	357641	401506	393958	467115	491651	429978	314078	147949	79242	327950	384546	88098	218845	723043	Phytochemical	0.44444445	1.1111112	0.0
0	C6 H11 O3 N2 Na1	183.07402	183.07433	0.025956236	183.07402	6895	6919	6239	6123	18482	0	0	16256	36110	0	0	3513	44412	11205	9524	8173	1475	25166	24349	0	3426	13065	16721	10121	21109	0	0	551	23698	4551	14523	9023	31330	15711	5546	8222	13846	12809	1104	1093	0	8019	0	0	0	6265	0	470	12378	4585	7234	6697	14865	0	55674	17276	5248	18520	7510	0	7062	0	26573	10335	6321	30166	23916	840	282	4040	0	11342	11852	5899	0	8807	0	5568	8511	0	5927	731	1473	0	11339	5884	10498	8324	12874	2071	12692	14389	18539	0	0	0	8189	5829	13070	8053	5209	10470	3621	3512	0	19292	7453	0	6322	57235	Peptide	0.5	1.8333334	0.33333334
6	C8 H10 O3 N2	183.07642	183.07669	-0.001065527	183.07642	33376	44499	32801	34429	37712	31362	31738	39921	34225	12614	68328	26037	39872	24445	30617	51569	52237	79188	52145	11906	12705	38159	28985	48757	27902	2968	29581	57321	37306	33067	37820	38686	63855	38627	16899	31324	68887	30136	72506	5182	8056	34719	5223	4101	4070	18518	8992	3772	44425	29984	37542	39637	44373	4858	30957	20326	26535	55104	10904	11766	52843	4514	38030	21518	19335	49345	41020	69621	3979	5887	5733	33235	32592	25216	30975	34682	3365	22953	27148	33500	25881	13170	12615	4935	25354	24736	35194	50016	43470	80318	50576	32706	87753	13379	9521	4656	34974	31885	39702	22067	26488	51440	31253	14971	7972	66517	28646	3916	32292	69575	Peptide	0.375	1.25	0.25
4	C8 H10 O3 N2	183.07642	183.0767	-0.05945813	183.0764	18810	27296	21766	25197	33704	21481	17791	26083	31562	6712	10076	16226	29934	19851	18631	33705	48985	56504	39558	9455	9454	39031	19450	28460	16056	3679	18696	7380	21502	16283	25371	21925	32145	21231	12946	19305	26158	18061	60645	8386	6765	31108	4855	4275	6411	12697	8964	6235	26218	20646	28548	20685	34983	5728	28666	21697	26496	39141	8623	12008	33246	4240	33279	25553	22543	35172	24766	47660	5548	5270	4545	19263	18256	16670	19386	22943	3272	15544	22888	6859	21621	11011	12395	5021	27716	29174	25539	48194	35473	74670	15063	10921	82111	6159	6175	8775	22528	24821	26646	26362	23747	26122	20014	15558	7320	37989	32283	5322	23777	44566	Peptide	0.375	1.25	0.25
8	C8 H10 O3 N2	183.07642	183.07668	0.026525332	183.07642	24000	23339	17635	23530	24502	18857	18654	20905	21583	6875	20649	18070	24337	14635	22896	27562	35359	35187	38618	5703	6190	24124	21032	27987	21477	2220	22699	66972	24414	18530	18710	26618	36620	19992	10857	21774	36054	21110	48332	4078	3856	22309	3511	4029	4987	8241	6771	3960	27625	16451	21062	24633	23119	4070	21944	11715	17590	28023	7756	7636	26192	3914	21412	21112	18298	24693	23380	39324	0	4334	4242	20429	20155	14598	25502	25924	3212	17327	27013	65105	18470	9418	8025	3294	15935	16671	25714	28183	31554	63619	19123	18720	46437	13939	4496	4254	23605	22569	18203	15588	16035	26843	22828	8657	0	30900	22937	3909	25560	34570	Peptide	0.375	1.25	0.25
10	C8 H10 O3 N2	183.07642	183.07666	0.027997367	183.07643	12949	14807	13271	13312	13978	12591	21634	11359	14996	5506	5335	22376	12347	10009	35334	20175	30371	18273	16226	4504	1903	10792	36919	14586	24671	1399	27969	5929	10129	9596	8169	15750	17243	10527	7112	14399	18153	30587	26953	3346	2661	12229	4274	4686	5582	5422	4295	5325	12305	10713	10783	13664	12993	5764	14918	6543	13764	16336	5227	8142	12718	2220	9084	9145	14454	14267	11794	34765	0	2997	2326	9184	8800	8051	14654	10242	3686	12618	43444	10357	35927	5571	7315	2910	12456	17387	49587	18401	13494	38345	8177	7118	32599	3629	3612	5184	13342	14133	11978	10108	8717	16945	23175	5429	0	16958	10904	4762	34327	16801	Peptide	0.375	1.25	0.25
2	C8 H10 O3 N2	183.07642	183.0767	-0.05549784	183.07642	19303	24142	15907	24312	40883	24236	15675	26191	36481	6553	10861	19255	41552	26122	20524	12038	32365	50407	37757	8388	10444	24657	20536	24962	12174	3163	9048	7483	32194	19941	28996	30682	42608	26399	15291	25125	35723	17384	31926	7772	5428	37778	3825	3490	5054	12007	7226	4892	33674	17548	21156	22553	40325	4398	31975	22070	25262	38807	7548	9085	18550	3660	47004	26795	24504	46847	35781	34880	4506	6581	5066	26472	30803	18712	9195	25145	3046	13742	16828	5903	16641	10622	7045	4176	30001	25106	18323	50591	45520	35341	11985	10987	42205	4398	5120	7279	20552	20901	30556	26749	25821	31297	20506	11995	6688	33512	25456	4412	17825	61634	Peptide	0.375	1.25	0.25
16	C8 H10 O3 N2	183.07642	183.0766	-0.056537315	183.0764	2600	1865	2847	2648	0	3419	1362	6398	0	1860	17051	3216	2095	2622	2046	5300	2818	2289	3581	0	0	4795	5466	6169	2585	0	1671	123078	5282	5504	5862	6164	2960	1350	0	4273	5986	1671	1655	1627	0	5245	3049	4397	4868	2568	0	4931	7226	6870	2231	3150	3415	3595	0	1188	1881	7792	1636	0	0	0	0	1458	1005	2542	4745	1783	0	0	0	2774	1466	2940	0	6010	4358	3089	1527	67528	2065	1300	0	1285	0	0	1597	2769	4430	0	3362	3260	0	7709	0	4492	3860	2586	1327	1829	2018	5640	3871	3390	0	0	1321	3959	1737	1818	Peptide	0.375	1.25	0.25
0	C8 H10 O3 N2	183.07642	183.07675	-0.08119238	183.0764	11624	13002	11174	12941	15536	16574	4713	22030	12229	4101	5279	6718	14628	17220	9106	10402	7286	24918	19145	4878	7807	15038	10281	23723	11520	3056	4891	3634	28101	11950	19545	26169	43109	25291	9175	18821	25100	7148	8839	5464	2881	25394	4084	3988	4782	8294	3119	3844	25957	12988	12804	11787	22482	3887	10778	7739	6809	33579	4069	3516	16486	2455	17525	10324	10816	13485	24565	7336	4687	5895	2742	20041	25182	15673	8378	24457	3851	9454	7251	5362	7342	4572	3535	2586	6876	7442	6744	19501	24641	7049	8454	6692	27404	2979	4810	5010	9876	13693	6758	8593	6535	22254	6989	6588	3511	34037	7656	4356	6248	28663	Peptide	0.375	1.25	0.25
14	C11 H11 O1 Na1	183.07803	183.0783	0.1742786	183.07806	44301	46397	41715	48141	127612	44866	13309	13881	22376	9136	9282	7281	28157	92258	5132	3423	16140	10767	14877	7750	6259	11824	2300	10740	6676	6921	17464	12803	2832	11808	12533	13253	43819	13301	6806	12786	6809	5174	15893	13217	41428	222060	3826	3588	4934	29157	678253	6240	15679	7324	53221	40402	55281	3226	5482	26753	49964	15040	0	22212	0	4864	6145	41182	33089	121073	35634	87553	0	17463	32649	14154	6916	10077	11328	17849	3429	5152	3269	0	2120	3032	11818	22064	39110	61426	2823	18524	25887	30286	18761	22664	38319	2997	12719	3211	46090	39072	43868	39805	52261	8042	6107	10760	0	1511948	104707	3520	5809	6691	Phytochemical	0.09090909	1.0	0.0
6	C8 H15 O3 Na1	183.09917	183.09943	0.33688432	183.09923	1018	798	1088	1217	661	704	1420	1254	719	0	0	789	0	3360	826	4671	0	0	0	0	0	0	1991	1015	1360	0	3452	0	0	2031	1419	3359	0	0	0	1479	0	2788	988	0	0	1261	0	444	0	0	0	470	1236	1662	1581	1088	653	673	0	0	2392	1496	0	0	1519	0	0	0	2125	0	1687	0	0	0	0	0	1768	1939	120198	2282	0	1055	4364	0	3417	1455	593	6259	0	1768	4575	0	1501	2602	0	0	0	514	0	1119	1469	0	1904	0	1060	0	793	0	0	807	1967	446	2093	0	Lipid	0.375	1.875	0.0
8	C10 H14 O3	183.10158	183.10182	-0.028813351	183.10156	803324	864168	553187	811839	697478	609056	1577133	722099	461856	308223	355149	497587	724738	3637344	569196	772367	1019853	710777	1076478	551469	411327	430542	531504	427649	545217	1241769	1747360	573304	851205	696827	601171	934844	748790	755272	419092	855118	747316	508993	1214157	260954	915481	950414	274771	85606	101024	483780	591763	98267	844986	661475	734163	834723	591686	127592	501999	994911	761824	721322	272969	659483	989565	297212	1093336	434969	2068341	1178474	1687087	1041378	268281	661190	569602	548048	852655	864383	743061	881241	71395	451791	459908	701152	408961	794806	2897132	7395083	648047	811995	733700	563459	786742	675879	442199	517532	514154	345395	371813	180865	849497	845408	895227	767712	1035723	841407	481127	519685	224818	523689	616611	87484	557954	595569	Lipid	0.3	1.4	0.0
12	C10 H14 O3	183.10158	183.1018	-0.032704428	183.10156	790501	1014170	944801	955777	886814	837292	1699234	944484	672988	381222	500139	520466	746076	1907488	694429	1308238	1141125	1133511	1127669	463076	366435	411820	661264	496268	754667	542942	1821423	584697	1396714	1109515	993259	1449962	1265398	1427548	433149	1225559	1176645	701322	1246475	211507	269804	955583	223445	112722	103167	342201	274053	125587	1504355	842653	978931	978275	834557	124576	782746	563926	616332	1320499	274085	345628	1279059	155665	1109317	573333	1373893	1334735	1373568	1119783	190236	297094	281580	1015337	1285016	1247428	1352068	1406968	70437	666359	477677	584276	478251	520488	1658261	2265369	667091	691060	889646	784909	907325	726858	691280	572851	562093	222739	361881	141669	956503	917251	699483	718604	888392	1214129	650272	483340	211044	740296	671400	105986	616296	942968	Lipid	0.3	1.4	0.0
6	C10 H14 O3	183.10158	183.10184	-0.0666214	183.10156	237054	249288	197325	252290	260890	185747	462494	248760	203546	117552	153187	168783	243938	500515	197914	267411	634918	293665	294470	147289	133450	130957	165983	157145	161098	210724	392418	147473	311417	261057	253610	307481	313590	262973	148639	322092	295675	192818	854846	77570	176071	268909	111743	77024	82805	151717	163147	73995	295970	232387	242795	244437	221381	78837	196401	248757	191840	298254	118989	216882	277030	73310	307052	133213	387701	273321	346110	371532	140253	113250	159059	196617	255657	322188	213692	279396	64050	144508	144767	95489	151394	206506	474850	668979	233397	218372	245984	182514	256477	475366	133799	172942	153605	94206	108851	79237	220129	238940	191761	308956	391497	317983	196153	165148	112783	185929	227199	75813	178541	239343	Lipid	0.3	1.4	0.0
10	C10 H14 O3	183.10158	183.1018	-0.02758674	183.10156	879538	808206	736318	734510	896291	799825	1415868	972765	579578	396735	356927	628940	866609	2443135	671399	1159829	1102788	1077793	1077866	571122	445629	413613	593025	559113	740601	562386	1422750	467851	1212194	1053901	833785	1215471	1233232	1162596	436825	1230188	1174799	607691	1292897	245229	421929	956752	324063	105823	112170	439974	343832	116062	1136190	788264	834707	850735	786828	134438	634680	703036	487478	1388730	332473	462483	1271983	171728	860305	527682	1310319	1198800	1511051	1254790	221349	400815	301810	875139	1125917	1227578	1180267	1100968	85077	534881	518115	502653	486869	504233	1457892	2706673	793413	760738	892989	751411	917029	763031	648601	504181	563762	244579	346870	162319	819025	863423	716169	827318	1031627	1060370	603573	574597	257755	714756	667693	107277	587888	787709	Lipid	0.3	1.4	0.0
14	C10 H14 O3	183.10158	183.1018	-0.040554907	183.10156	685195	686752	621053	725547	846647	891368	1196678	840095	670197	265189	315217	573073	960583	1602677	749861	876892	868162	1095820	915303	333737	292280	335963	537555	398950	775190	339288	1143090	533439	1177834	935734	866862	1157426	1158820	1083445	349101	1105357	1015539	661030	927630	192242	185913	843141	248357	108953	87950	260317	191631	120144	1026690	637931	681966	626155	776709	120069	790028	551589	601167	1200470	276331	251637	951831	122941	896019	651199	995062	1156315	1243587	821701	125617	219045	177631	836331	993488	1045915	801757	994908	91910	618035	462987	543469	404546	355857	1093292	1209098	672789	562310	762540	661499	905457	681895	607522	389425	569601	172503	214176	141716	733006	704508	575854	709969	886946	1026802	655473	396748	155155	758191	558213	107152	600432	695329	Lipid	0.3	1.4	0.0
0	C7 H15 O2 N2 Na1	183.1104	183.11072	0.19909304	183.11043	0	0	0	0	2630	24500	0	3099	884	0	0	0	10907	0	0	0	0	11034	4933	0	1204	1725	1546	0	1633	0	0	0	7025	0	3519	0	5688	1714	38766	0	3274	0	593	0	0	1296	0	0	0	0	0	290	0	0	0	0	0	0	1907	0	0	2497	0	0	0	0	0	0	0	5069	8571	0	0	3419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3945	0	7435	4343	4015	0	0	0	0	0	0	0	0	0	0	0	0	4193	0	383	0	7972	Peptide	0.2857143	2.142857	0.2857143
6	C9 H14 O2 N2	183.11281	183.11307	-0.07662137	183.1128	57873	66766	55792	65502	39252	25754	88638	68155	58385	32724	26889	46733	21578	17055	46865	119377	129430	48331	50017	32750	29405	69344	39954	83880	49141	10834	79641	36851	65327	64967	65168	76633	96617	54953	42851	67633	98847	48973	171046	18905	27491	41986	2317	1110	1035	35035	49481	1060	79223	60368	66767	63763	46726	1527	62535	15951	32095	109812	25776	39523	90535	12537	19644	26441	19954	32368	42667	171610	13372	22984	26390	43716	54859	66855	92235	66326	776	37417	39455	36118	44901	33861	33849	14999	27094	32872	67353	41217	42928	184548	79978	73846	177851	28201	28336	1335	63955	46001	57263	17538	24179	98208	47596	33595	18172	87489	61821	1124	54735	34476	Peptide	0.22222222	1.5555556	0.22222222
8	C9 H14 O2 N2	183.11281	183.11305	-0.08104761	183.1128	45553	48933	43824	44894	39066	28751	37681	51851	26647	12787	27268	39710	26115	21874	62283	71073	67013	41966	40116	15812	13653	55829	69478	114016	65334	2950	45819	32348	56204	38580	50718	62363	61575	66867	18980	53540	62821	54076	85248	8281	13941	29916	1113	1168	1272	31732	11471	1247	65712	49358	39417	46407	34637	1131	24172	11282	25099	74365	15935	17210	62966	5141	23130	23908	23381	35258	23933	89430	6766	7848	5348	54970	32179	26850	73322	47722	681	44387	67116	65312	55908	34562	18266	7090	16965	25430	119150	57178	38383	179130	129630	109292	148049	17018	18249	1221	46491	41697	23774	15599	15457	64720	46572	25000	7144	53982	27330	1059	74079	30901	Peptide	0.22222222	1.5555556	0.22222222
2	C9 H14 O2 N2	183.11281	183.11308	-0.09740238	183.1128	50601	54176	41189	47843	88266	50303	21087	29987	67385	40252	38512	22341	90915	30273	20787	39258	46526	72767	74886	38546	44043	63025	22708	46563	29682	3918	15182	51149	36272	25120	33325	38568	60691	39910	60616	34763	52460	19703	56799	30774	29855	55052	1461	1041	1144	22862	23786	967	41928	21546	44273	50246	71258	1376	67325	31691	32307	63983	12735	24980	39936	13370	82787	51292	27849	83342	90676	54067	6178	11625	10840	29581	35650	21473	24855	30944	886	20003	25224	63065	20771	12837	17296	9695	49140	29303	30446	73329	82450	98402	85975	84476	94443	30792	25000	2359	49176	45072	46148	46874	43196	51767	24853	36252	13337	62317	67382	1357	30048	108267	Peptide	0.22222222	1.5555556	0.22222222
12	C9 H14 O2 N2	183.11281	183.11302	-0.10139379	183.1128	67573	79829	78260	80719	64795	42587	26073	6770	343877	31173	15938	5995	7780	8071	4510	11110	17927	125115	127400	16706	7583	0	2287	10140	5350	0	27619	0	9799	15477	6443	20077	46960	24017	7986	14778	126847	3274	22245	10615	14554	47416	1703	1388	1255	3742	0	1304	26199	8061	64029	78413	35652	1018	75161	4819	22522	9507	0	7961	0	3162	358239	61023	12021	21137	26442	17475	0	1976	1674	8584	13801	8657	18624	15727	862	4016	2838	0	2850	4697	9340	4888	95209	21785	5201	53919	24022	10382	16095	10476	9769	0	3511	1356	74671	60417	70750	3683	6709	83835	6083	24382	0	7499	53139	956	4918	497263	Peptide	0.22222222	1.5555556	0.22222222
10	C9 H14 O2 N2	183.11281	183.11302	-0.11428988	183.11278	8340	6295	7795	7458	10784	6342	8897	10376	3923	2695	2722	6156	8876	10258	7183	14124	16545	9091	6786	5397	3090	9423	7666	20329	8742	1490	14433	5350	9504	6718	7980	8580	11741	8654	3953	7474	12582	5696	18847	2035	3929	3248	1326	1176	1152	5773	2176	1250	8217	6132	7672	7919	6748	1708	7440	4468	4472	13633	3007	4625	13250	1151	5606	4470	3137	9177	3802	15993	0	1478	3594	8148	8014	6565	10302	7979	864	5470	7608	8919	9826	5558	5085	1198	6148	3114	11312	7281	5929	20559	29609	12705	20527	2331	3582	1796	7705	6107	5070	3494	4633	7734	6470	4417	0	12469	8186	1322	8837	10289	Peptide	0.22222222	1.5555556	0.22222222
24	C14 H14	183.11682	183.11702	-0.006542828	183.11682	28932	38746	23588	26291	32054	23429	20866	44417	20041	25094	18965	24771	20700	18350	66221	51452	44644	20567	30078	33381	25667	29415	27435	39165	44656	14864	22360	25201	33400	37888	37876	42650	46357	33241	29261	44899	44883	54214	41174	24175	16755	115262	0	0	0	17800	17699	0	40680	32875	30641	29429	25517	0	19486	19787	31304	51622	20947	18947	44642	13391	17259	14452	14410	26319	28547	45209	15423	19913	15608	29967	32082	35736	30728	40004	0	24539	31937	24323	31303	16522	20565	19687	19974	15984	31465	25020	24510	57402	36411	29862	57564	16875	24635	0	33462	28569	27286	18576	18285	49695	23421	38562	14538	36744	19081	0	37461	15039	Phytochemical	0.0	1.0	0.0
16	C14 H14	183.11682	183.11705	-0.013085752	183.11682	27385	27376	17345	21852	20357	15340	26776	27869	16324	17581	15534	20084	17291	11820	26259	34346	39288	19409	25179	24924	17378	26178	22005	31222	22265	15982	19323	10749	21148	26616	27822	26405	29833	20306	22092	25664	28319	22787	40790	17525	19331	14634	1024	502	534	16463	18083	629	31389	23670	26004	30166	16393	665	13768	16395	14675	32699	13856	20718	30164	11616	21655	13690	9951	17618	18041	36755	13469	19191	30934	21935	28273	28124	29025	33545	529	19569	30150	18461	22758	20397	19892	16797	20703	16904	32363	14322	19923	49227	27973	20110	34250	15278	19294	870	25938	23363	16796	21839	24450	27570	19103	18677	8737	23840	18048	507	27983	13881	Phytochemical	0.0	1.0	0.0
14	C14 H14	183.11682	183.11705	-0.036646903	183.11682	15690	18683	14749	17328	12829	8007	20670	22933	10751	10929	13148	17991	10055	8266	16454	25824	27522	11170	16577	18569	14296	19306	16934	20931	17536	16326	20711	0	19162	19555	17579	21577	19977	15313	17904	18509	18232	11885	31375	16425	14734	11429	0	560	589	15020	18888	655	21067	19308	15383	18600	10476	570	12924	10448	13088	27151	15032	13725	0	8879	14288	12586	10152	7951	10572	27824	0	13792	18057	15283	17724	18631	22494	21380	326	8826	25752	0	22552	15364	16506	12262	19916	12103	28119	9475	12858	48561	19590	15117	31399	8774	14529	707	18256	15279	11729	17543	20206	13634	16277	20110	0	20604	10466	463	17656	10251	Phytochemical	0.0	1.0	0.0
18	C14 H14	183.11682	183.11703	-0.048577286	183.11682	27799	38082	27686	23573	26535	17728	32569	35705	19514	25439	15399	26881	17460	18364	27215	45091	45731	22102	29582	28413	23548	33355	29827	36960	26626	21516	29160	18013	29506	32605	29267	39852	41505	37943	19541	38863	34748	27059	50932	25400	20820	25044	1248	558	673	16267	23124	725	43838	32796	38437	32800	19139	803	19059	19004	23148	46866	17975	24377	40879	15168	24155	17993	16367	19828	26372	49470	15270	23390	22796	27175	26312	36004	36671	39579	387	23625	40764	19105	34970	19296	25389	17065	23957	22437	38531	21766	23572	62184	41041	32092	54321	17937	23131	1036	34996	29381	21369	27312	28903	43714	25980	26565	16567	32110	19990	542	32204	15201	Phytochemical	0.0	1.0	0.0
12	C14 H14	183.11682	183.11705	-0.08298221	183.1168	9207	15363	9126	8770	4957	5335	8569	15190	5033	4997	5046	8484	4324	2917	5621	20046	14652	5768	9170	8943	10634	13107	6524	16436	7203	8715	17410	0	11691	12432	10203	15408	16697	7883	5524	12272	10477	11751	20035	9733	8925	5388	422	430	406	7770	8656	629	17223	10087	9897	13066	5148	408	5572	6194	5678	17864	5830	9390	0	2852	6366	5915	4653	5985	5953	17395	0	8862	11406	9321	10430	11521	17484	17329	337	8353	12504	0	12314	11711	11859	7001	7776	4733	14715	3953	7291	23473	9438	8420	20457	4739	10534	622	7344	9299	7093	8744	9299	13778	9682	10243	0	9169	6453	385	11106	4372	Phytochemical	0.0	1.0	0.0
26	C14 H14	183.11682	183.11705	0.01749423	183.11684	15702	18097	14935	10145	11280	8609	9027	21395	9243	5349	9585	14521	9583	7178	33478	20760	14597	8921	15395	11450	9972	12870	11505	15740	37670	10567	8491	11548	15672	19625	19249	20663	20007	16194	11140	21750	18338	29485	18066	7014	6239	61006	0	0	0	9296	0	0	21993	17015	11034	12191	12910	0	8776	10231	12324	26408	7191	4049	20914	4046	9412	8829	4808	10557	11378	16830	9572	7128	7382	13264	12786	19294	11623	23113	0	10342	16628	9429	18671	9794	7291	6106	8653	6620	22734	9733	12294	22997	16081	13359	27566	7164	8503	0	14302	15000	10554	10575	12405	25076	12984	14345	0	16128	7657	0	18237	6491	Phytochemical	0.0	1.0	0.0
22	C14 H14	183.11682	183.11703	-0.033969644	183.11682	37668	44299	25637	35184	42503	26432	30268	59669	25427	27718	25175	28119	22203	23066	41202	53603	51650	35433	30231	41197	30010	44506	36032	48181	43963	22457	32764	22797	46632	43637	38004	40948	49558	44577	30868	47684	44602	40672	51594	27534	24967	65644	2623	0	1112	25035	23040	0	42391	39305	41006	39669	32650	1026	22881	22993	25182	57205	23142	21647	58692	18695	24480	20754	18432	29229	38417	54689	14182	26664	24417	44721	32414	40087	34655	48338	1086	27880	39973	25326	32432	27406	25812	21582	30831	27338	47550	35692	34719	73770	51781	41971	79817	23973	34878	0	32134	38493	25211	27852	24207	60188	30277	40321	14865	46091	23503	0	39432	21800	Phytochemical	0.0	1.0	0.0
0	C8 H14 O1 N4	183.12404	183.12428	-0.20750092	183.124	0	0	0	1593	138394	0	0	2681	1506	0	0	0	0	0	2545	0	3276	2308	1920	0	1010	2613	2829	2245	2079	0	0	425	1337	0	2974	0	1494	1642	1211	0	0	5834	3620	0	0	1825	0	0	0	0	0	0	1254	0	0	1496	52629	0	764	0	2634	2474	408	0	0	0	0	0	3123	2724	3074	3918	0	0	0	1722	1952	0	0	0	0	2390	2383	0	4044	0	0	0	750	1690	2738	1835	2562	9041	0	0	3136	0	0	0	0	0	48680	372	0	0	2373	0	0	3125	271339	0	3071	1923	Peptide	0.125	1.75	0.5
10	C11 H18 O2	183.13795	183.13818	-0.035860296	183.13795	8491	8743	7028	7691	8295	8443	35729	10053	3752	3772	4516	6016	7339	26523	6698	15244	13066	5536	5329	3693	1536	4957	5048	4330	8122	17280	56028	3342	11919	11353	7936	10626	10839	9021	3649	12024	7000	6604	13466	0	2864	10196	4129	2945	2948	2718	3055	4205	11994	9333	6359	9382	5709	3858	3249	6446	5526	18653	3040	4142	12103	1501	6267	2899	13175	5720	14781	9242	0	4014	2897	7886	12062	18513	14991	9931	4421	4858	4378	0	3866	7133	22913	191528	6341	7747	14105	3878	7292	12793	7229	0	5047	2547	4572	3430	8200	9131	5687	5681	8203	8142	8315	3753	0	9689	7797	3323	7433	2749	Lipid	0.18181819	1.6363636	0.0
16	C11 H18 O2	183.13795	183.13817	-0.028604984	183.13795	42370	45408	44648	38995	29191	38412	241090	39649	17586	16017	36754	30067	28026	136687	34673	46618	91599	23161	30695	20122	15735	14979	29043	17076	40393	97968	270139	46562	43947	41924	41167	68376	42503	45497	12081	51197	37066	35758	98263	7589	18889	41159	42581	13029	12699	14832	26111	15043	43278	38269	40606	45728	26604	20940	13116	28626	41887	54812	15405	43458	43714	13574	37946	13328	114932	44695	74986	89055	20092	14122	23347	33670	47985	63486	76728	50167	26806	22429	26262	79077	17875	35105	179095	701354	31689	35929	55935	29046	30664	71052	61177	45724	0	15425	15472	16121	40708	50188	39838	22730	33522	55321	25259	21053	16124	35362	29230	12582	37172	21066	Lipid	0.18181819	1.6363636	0.0
24	C11 H18 O2	183.13795	183.13815	-0.001622063	183.13795	57346	54306	52902	50270	49836	54921	369684	44987	29328	23309	28009	33755	43683	134647	41701	45238	65847	38784	57578	28670	28669	23655	27609	33975	28747	52166	327750	47675	47344	40884	33229	46924	47410	35408	23989	48988	44423	36835	58580	22095	28091	66724	42797	20531	31840	27395	29498	20561	48251	44097	55335	52612	41658	28638	36837	66349	125185	50487	29095	43623	52736	21056	50205	31743	215652	56415	78684	59249	18060	25779	31929	30752	34573	42785	40014	41882	29166	32164	32700	66773	31440	32532	136981	143135	82142	0	48695	59147	51940	56302	128320	121965	42685	22301	26156	24486	51564	52894	50110	70701	264932	43893	30735	38290	29040	31780	138364	26362	35207	44207	Lipid	0.18181819	1.6363636	0.0
14	C11 H18 O2	183.13795	183.13818	-0.03326548	183.13795	37957	39648	34152	39776	26343	45098	192964	31015	12256	19171	21969	27918	21719	147344	29107	38952	71418	23979	23181	18971	14697	23044	20418	14950	36015	70539	196335	42973	43418	39559	35024	55359	36445	44861	15772	45341	34127	26123	71926	9011	10048	33190	18622	7895	6573	16151	26068	9753	44847	24833	39059	38353	21720	10677	9661	16073	25987	55834	0	18739	37928	7143	29588	11858	90550	42840	75776	58838	13453	12680	19275	28454	55699	56399	51992	47166	7466	24531	21139	60780	18308	25776	183077	635231	21737	23823	60077	23140	36880	56392	60312	25237	20638	13899	15570	9162	46242	33625	25912	19192	27275	27766	20663	21129	0	39797	20703	7807	41925	10502	Lipid	0.18181819	1.6363636	0.0
26	C11 H18 O2	183.13795	183.13817	-0.021438679	183.13795	35939	40598	40446	36646	33472	34750	268801	28143	23463	21255	24580	25279	30362	62975	32044	30832	43255	25546	35289	25281	21195	20051	20321	23472	25879	41420	239664	55787	37104	36404	27956	37677	36492	26055	20312	36299	32644	31935	51044	18193	22945	44167	22530	21850	24002	17817	21311	21324	36834	29396	43778	37820	27194	15097	24546	37618	67517	36731	22277	38454	39854	17696	38479	23166	99780	30244	43127	49057	23186	22600	27629	23067	27624	31555	28885	36306	20476	27773	25491	48679	23216	27752	77098	67803	62490	114217	33459	48806	30684	38783	69460	75022	28638	18548	15471	20937	37471	40918	32831	63453	149551	37914	24692	28065	20920	27998	87018	21100	28606	23990	Lipid	0.18181819	1.6363636	0.0
18	C11 H18 O2	183.13795	183.13817	-0.03811214	183.13795	50639	57273	48231	49070	40052	58174	319695	46585	20006	15938	43820	36002	46127	225018	48335	52723	89662	31871	40764	25194	19141	24312	38904	39784	48371	69855	308690	66257	57506	60729	45764	60107	54274	47789	21401	62254	40878	47290	91408	13138	22219	51570	41372	14348	14678	21231	25420	15348	51394	40322	59106	56875	33059	22097	23182	36215	56398	62693	16454	37494	60014	13747	56024	20457	169433	72982	126299	99260	17805	14551	25473	40838	39660	72932	68522	55481	19356	34340	38194	87258	32688	43047	232394	484941	29605	47860	74452	37121	43879	72698	71718	55521	45111	23359	16632	19578	60967	50210	51753	31283	43580	52558	38731	23681	29248	43994	34324	15504	50967	24349	Lipid	0.18181819	1.6363636	0.0
12	C11 H18 O2	183.13795	183.13818	-0.032999612	183.13795	27915	36945	33508	31060	15126	15137	91750	18105	5621	11565	16684	10750	8553	159261	14176	36675	27930	7013	15542	13948	7037	11833	12502	19502	19961	65912	177533	13394	24380	27211	19039	48706	19408	44486	7186	29892	22451	18187	33434	6390	8993	20000	15696	5303	4505	9884	13822	5424	35649	21450	32805	39458	9304	6958	5973	12634	13718	49379	0	0	29300	3598	32071	2547	78130	16307	49227	32387	0	8932	10509	25998	38401	47690	44344	38028	3755	10610	10729	0	10986	14910	93814	470373	10308	14448	28155	13508	16007	28580	26335	18862	23761	7275	15142	6950	34396	38628	16248	11196	15504	24815	14834	14941	0	22313	14497	5036	18662	9920	Lipid	0.18181819	1.6363636	0.0
8	C11 H18 O2	183.13795	183.1382	-0.09773946	183.13794	7749	9945	6028	8447	8876	6574	51726	4442	5225	2840	2986	4300	4200	38319	6285	8427	7817	3366	5748	2672	2115	3212	3705	5216	5471	80569	63562	7650	6022	6194	4853	7567	5059	5747	4008	7618	4155	3703	7042	2088	4298	6786	3692	2670	3053	3897	3516	3152	7268	4493	8536	9386	5034	3262	3080	12189	8684	6859	5498	4182	8025	4468	7435	3020	21000	3713	9868	5986	3977	8521	4036	4139	6037	6525	5035	7977	2870	2962	3542	3093	3160	5880	41390	539698	6218	4373	7521	5233	5092	8330	0	9210	3484	3349	6259	2851	7660	9221	13256	7714	9092	6324	5034	5506	0	4602	6439	2624	5451	4039	Lipid	0.18181819	1.6363636	0.0
2	C10 H18 O1 N2	183.14919	183.14948	-0.061006814	183.14919	22645	29616	22115	23625	16268	0	13826	30134	3733	24526	8494	11778	4471	5128	13593	61859	27869	13909	15826	27475	21341	40930	14836	42235	22294	4021	15767	22782	23474	28169	21749	32616	26383	22871	27778	32575	31647	13240	34956	28572	18381	9321	218	0	0	20509	17738	0	40593	30346	20897	23143	12096	0	4619	1408	4592	42562	1480	4535	47046	8574	4250	3759	4616	9269	11856	39843	3406	9730	9663	22948	27228	30984	52358	27599	0	13969	18857	14440	16165	6496	7022	15262	4790	5087	23109	10605	13342	60403	53940	32424	60179	11781	47146	0	22128	22171	4975	1605	2539	32417	11694	42053	7051	34639	6592	0	20333	5344	Unclassified	0.1	1.8	0.2
22	C12 H22 O1	183.17435	183.17455	0.010949617	183.17435	31699	33488	29771	33771	4859	59870	68277	11143	2182	21906	34472	9325	3507	1701508	9602	6920	18662	3118	27773	13459	6266	8155	7555	7961	5199	16933	126145	89150	9847	13061	7158	10509	5126	8780	4790	11042	6538	16228	14833	10364	34053	60311	77382	33460	35176	21620	34425	27172	9304	12326	35383	31450	8237	42605	1995	121383	122411	8616	9773	74949	48296	15841	41190	3373	1192329	7764	400702	31896	25255	29319	43802	6933	6548	16799	9924	12733	39107	8487	2877	69068	6590	15997	20035	33460	13365	21150	4982	16442	35093	14337	33136	26699	13635	9424	22960	31914	29710	38877	352962	6951	21733	8898	7569	54278	16876	6366	15420	34051	6889	7313	Lipid	0.083333336	1.8333334	0.0
4	C11 H22 N2	183.18558	183.1859	0.106500916	183.1856	1398	1118	1965	1766	0	518	8854	746	0	0	0	532	0	0	806	1442	7293	3261	2678	0	552	0	0	763	3525	0	10775	0	1800	0	374	2712	11438	2773	0	1615	9687	576	7238	0	0	1296	0	0	0	0	0	0	1280	876	1595	2450	1728	0	0	0	1186	4008	0	0	1464	0	0	446	4607	890	3002	11575	0	0	0	0	802	635	2650	334	0	220	909	0	0	0	0	0	0	12775	1692	31572	8118	0	0	0	1209	0	0	0	1664	2097	0	0	0	10934	0	0	0	2039	0	0	1687	474	Unclassified	0.0	2.0	0.18181819
6	C7 H5 O5 N1	184.02405	184.02429	-0.005224258	184.02405	7222	7285	5288	7663	4236	3644	1833	9966	5367	0	0	7119	4024	3990	3397	16361	6595	14332	16078	0	0	4158	5079	8394	1264	0	2468	0	12672	9796	12952	21079	26696	17981	1015	12493	19174	2800	15117	0	0	8981	0	0	436	0	0	0	13409	6562	6762	7319	6323	491	2332	1171	1942	23935	0	0	21194	0	10191	4115	1686	13032	10686	14315	0	0	0	15047	18076	8648	7657	19671	0	3872	2968	0	2023	0	0	0	1085	1579	3711	12980	15559	6337	0	0	5890	0	0	352	6388	4748	1470	797	769	17436	6843	0	0	20202	0	317	1925	15233	Unclassified	0.71428573	0.71428573	0.14285715
14	C8 H9 O2 N1 S1	184.04268	184.0429	0.0467679	184.04268	4146	5150	3228	5770	9716	3917	8112	3188	1454	0	0	3937	1871	4316	4155	11587	12675	5206	3929	0	0	4825	3803	3890	11926	0	7857	0	3134	2799	4319	7303	6303	3478	0	6277	6573	6025	15110	0	0	4272	0	308	403	0	0	0	3525	4825	6822	8703	6009	0	0	0	3401	19303	0	0	0	0	0	1882	2587	1884	2718	16900	0	0	0	3771	3105	2867	9323	5197	338	4072	10527	0	4299	0	1778	0	1357	3522	16908	4374	5347	48928	0	0	25869	0	0	417	7503	3452	3026	0	1219	7743	2716	0	0	17110	272941	392	12277	2212	Organosulfur	0.25	1.125	0.125
16	C8 H9 O2 N1 S1	184.04268	184.04286	0.12038359	184.0427	0	0	0	0	9445	0	0	0	0	0	0	0	0	0	0	1760	0	0	0	0	0	0	0	0	0	0	1075	0	0	0	0	0	0	1383	0	0	2394	0	0	0	0	0	308	0	0	0	0	0	1716	0	0	0	4877	359	0	0	1153	0	0	0	0	0	0	0	0	0	0	2230	0	0	0	0	1242	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1581	0	0	0	0	111218	0	0	0	Organosulfur	0.25	1.125	0.125
6	C8 H9 O2 N1 S1	184.04268	184.04295	0.06217993	184.0427	6023	6920	6119	5257	7828	7009	5186	10999	2920	2013	0	4356	5468	6142	4290	16971	6821	21581	16453	877	816	9644	5292	20611	5427	0	4355	0	11214	7581	9129	9860	17610	7637	2020	7538	14377	3921	10983	0	544	10955	0	315	0	3125	0	362	10512	5983	7648	6656	11640	311	3840	1944	5304	22865	1596	1156	16135	0	4715	0	4824	7401	12399	14262	0	0	0	5414	4315	6323	4624	8528	197	3272	4470	0	4461	1207	1012	0	3619	2885	6598	15164	13712	10752	0	2765	19975	1335	0	603	7662	7117	2670	1820	2254	13632	4087	1490	0	24374	3502	0	4769	9412	Organosulfur	0.25	1.125	0.125
0	C6 H10 O4 N1 Na1	184.05803	184.05835	-0.06634365	184.05801	7282	8542	8545	6658	7769	0	0	9930	2177	2988	0	2533	20408	0	1419	3452	0	14203	11973	2075	1843	8016	3255	8533	0	0	0	0	11591	7908	7998	10730	15107	19038	20032	8478	14534	845	0	2193	0	5559	0	0	0	3175	0	530	14713	5866	6256	6605	4906	420	4941	735	0	10212	1372	0	6871	0	3553	4030	745	11118	8012	0	0	0	0	17053	15030	11624	0	8816	0	2588	0	0	0	0	0	0	0	0	734	8108	9343	1403	31677	18512	10955	0	0	474	7027	6792	987	371	939	8066	0	2649	0	11552	0	1698	0	16024	A-Sugar	0.6666667	1.6666666	0.16666667
6	C8 H9 O4 N1	184.06044	184.0607	-0.019052856	184.06042	89458	101497	76604	87645	90101	97028	81193	113763	92132	19712	37594	93161	88649	73729	88963	164195	172391	147043	135455	18167	25024	64795	90114	146238	65551	10881	77075	21520	104431	103779	129905	123403	169131	139678	28726	101795	167008	87671	174655	14197	13901	109878	17546	22397	27127	44750	15001	19525	122941	100490	93019	92528	108952	25471	85944	53342	77381	167006	18013	18674	160168	13307	120466	67805	66397	122240	111928	197191	15469	21414	18224	111834	131457	117211	86771	113775	18706	64134	65408	17262	65378	30040	21424	11635	74940	86339	72716	134295	144090	168079	31591	29341	148571	14873	16633	24291	86228	81136	61639	52617	68945	150025	108745	22966	14231	140088	62017	22764	69623	142035	Phytochemical	0.5	1.125	0.125
6	C7 H9 O3 N3	184.07167	184.07191	-0.1264746	184.07164	9931	10723	8326	9206	2256	3177	11520	17318	3114	1150	1554	20387	1762	1814	12377	20465	32848	4653	5408	1010	1326	5068	9190	20591	5826	0	10902	0	28421	20505	28619	26956	23812	28512	1667	26742	18294	14602	45661	0	0	7588	0	0	0	2826	0	0	27075	19045	11138	10133	5234	278	2382	871	6069	18410	0	0	18397	0	1484	3105	6046	4854	5495	35701	0	0	0	21875	24919	24218	23714	20978	0	13334	7369	0	8451	693	475	0	1504	6503	5675	12179	10801	13989	0	0	14065	0	0	0	8253	9160	2913	590	1124	19684	23347	0	0	16257	1871	0	12197	1844	Peptide	0.42857143	1.2857143	0.42857143
8	C7 H9 O3 N3	184.07167	184.07191	0.010951317	184.07167	4280	4419	6264	6599	1458	2435	7525	14800	732	0	0	9368	0	1884	10786	12149	21421	4646	6879	906	861	4902	10186	17824	12073	0	4991	0	11221	16243	10276	7933	8754	8056	0	11534	10442	8079	15914	0	0	8062	0	0	0	3027	0	0	14089	21737	5457	4173	4215	332	1409	0	3603	7043	1076	1430	14891	0	986	681	2653	2905	5714	18542	0	0	0	11014	12694	12102	11296	7526	0	5463	11057	0	9706	909	1581	0	970	3597	9710	8966	4539	20408	0	0	22376	0	0	0	4679	6094	0	762	0	14763	6442	2531	0	12138	0	0	12637	1298	Peptide	0.42857143	1.2857143	0.42857143
4	C7 H9 O3 N3	184.07167	184.07193	-0.07140099	184.07166	7645	7735	6956	6989	1672	3122	6701	19212	1566	0	0	13793	1237	824	5707	16387	17960	3892	3501	1373	1323	2652	5731	8505	3113	0	6865	0	24126	23664	27469	28426	13977	15614	1498	23449	13980	9368	23927	0	0	5041	0	326	365	1378	0	0	27487	18270	9190	7925	3143	301	1389	657	3782	14611	0	563	16101	0	1266	2217	2709	1692	4980	17630	0	0	0	19647	0	24609	20521	26072	0	8616	4316	0	2113	452	348	0	1414	3932	5652	7501	7568	4461	0	0	6026	0	0	607	6895	8176	1390	676	1227	13058	13117	0	0	13084	741	0	3996	2349	Peptide	0.42857143	1.2857143	0.42857143
10	C9 H13 O1 N1 S1	184.07906	184.07932	0.18769982	184.0791	1755	1168	949	0	0	0	0	0	0	1047	0	0	0	0	0	3944	0	0	0	0	0	4609	1455	3022	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1164	0	0	0	0	2686	3445	0	0	0	1184	0	0	0	0	0	0	4719	2236	1512	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1102	0	0	2526	1647	0	0	0	2152	4326	1318	0	20790	25054	2038	5721	12175	0	0	0	0	0	0	0	0	0	0	2148	0	0	890	0	Organosulfur	0.11111111	1.4444444	0.11111111
0	C7 H14 O3 N1 Na1	184.09442	184.09476	0.0472222	184.09442	6990	5343	6082	5923	6536	0	0	16278	556	1331	0	1835	5987	0	1858	10526	0	12309	5226	1444	1623	6529	3036	11320	0	0	0	0	13685	10472	11256	16262	13037	22004	2056	12615	18798	1701	0	1038	0	5590	0	0	0	3714	0	0	18296	5176	6707	5409	6867	0	722	0	0	17232	0	0	7312	0	0	1299	0	7515	8724	0	0	0	0	18120	28013	12967	0	12861	0	3877	0	0	0	0	0	0	0	0	1177	12815	8585	0	3505	3220	8327	0	0	0	6443	5158	0	0	0	9456	0	2333	0	15062	0	0	0	3540	Peptide	0.42857143	2.0	0.14285715
8	C9 H13 O3 N1	184.09682	184.09708	-0.04326689	184.09682	261308	314261	222264	292983	288738	302335	305517	321812	247707	80410	84318	280195	308423	211859	294396	525934	675480	463833	431360	121613	106562	156857	292541	306518	265808	15887	320945	122757	475887	328936	323586	550620	547970	598808	149335	409226	691432	260367	739026	55686	62272	344450	21904	17299	19432	122745	70296	18467	504686	288199	273982	293726	295983	20418	283546	112503	201780	422921	70072	79559	428197	31800	222194	231020	192009	333644	296501	619165	23258	42248	37098	376572	495070	287847	406994	423464	13584	255875	212990	113996	189319	88477	85440	41624	179520	202403	283112	407577	470396	331729	161294	148494	341800	61734	75969	20341	282382	291019	234160	173419	168368	534072	270828	129584	35458	350019	242843	16465	257618	362802	Lipid	0.33333334	1.4444444	0.11111111
0	C9 H13 O3 N1	184.09682	184.09715	-0.05163481	184.09682	27736	30411	27261	23890	45791	55275	18641	49660	35895	17767	12488	19814	61082	39775	22366	20463	23433	67839	54334	20935	30687	35864	22726	31326	23589	10319	18589	11528	74866	24097	47885	43889	93247	69790	34404	39083	51170	20946	26595	24093	11044	38724	13320	15289	17770	28625	10111	14088	57821	21184	30397	28290	49205	12252	31542	20966	20884	59916	15757	13010	34973	9765	52055	31240	22019	49106	57038	23045	14493	14138	10757	56991	73696	34951	10911	53517	13092	23204	17648	12617	17283	16368	15575	9834	17080	17784	17665	40157	62711	16470	24014	21034	31060	10587	16280	18068	20694	31491	21593	28873	23433	43094	25308	27068	13547	44404	21387	14443	17216	82105	Lipid	0.33333334	1.4444444	0.11111111
14	C9 H13 O3 N1	184.09682	184.09705	-6.50008E-4	184.09682	35035	44872	34227	36266	33372	92745	51644	42982	25499	11176	13766	37007	28211	33027	40106	48304	68328	106797	38128	11634	12132	29014	38770	42175	37948	3170	56811	14624	48172	41710	50559	64740	59722	65955	14327	45544	73574	43044	69246	14996	13903	32551	13083	16446	14809	20644	7223	18804	57824	36758	44649	37913	29012	11530	22010	17314	33995	58876	12717	15101	43196	6370	17993	25194	29238	82057	28958	68798	0	4893	7416	56721	49288	36945	43465	58244	11737	32392	41191	0	40971	19384	30578	15670	20962	23025	53901	72351	49674	59270	28242	22926	58471	10642	8584	16870	42789	37202	24420	22474	20919	48066	45241	23882	0	48819	21233	15883	47372	32423	Lipid	0.33333334	1.4444444	0.11111111
2	C9 H13 O3 N1	184.09682	184.09712	-0.038047895	184.09682	61243	69590	47552	64143	78468	61925	49377	69040	84300	22513	27984	53593	79876	63467	59063	53454	76436	116698	102522	29737	30046	58583	50993	63124	39743	11127	41735	14984	80809	62720	74844	77325	106515	99922	35925	74338	86390	53370	76221	32287	18659	81648	13382	14614	18650	37987	22410	16867	78684	45080	56806	61709	84596	13380	80363	46873	72608	92209	29364	29837	58543	14202	76162	87631	59301	99935	81551	79827	17155	16986	17512	98561	91550	69677	36426	82715	11977	50215	42375	16032	42236	28978	28722	16572	52565	69740	45181	120598	125580	58598	36080	33481	76404	16939	20138	23490	56962	63610	63674	51431	58323	82761	63438	38132	23484	64507	54813	15215	41481	105233	Lipid	0.33333334	1.4444444	0.11111111
10	C9 H13 O3 N1	184.09682	184.09706	-0.019592632	184.09682	299958	285070	237682	241570	287474	335477	346642	345237	269531	59409	98884	301639	276215	205104	363387	481919	289265	411067	426212	83404	67459	181175	302573	326409	363350	8852	503874	189528	471641	336340	349561	532399	517553	642943	79160	410037	516366	337039	365900	39532	30597	292785	20431	20929	18795	97586	28024	19865	437728	249559	283772	289843	301387	16346	315168	128804	226073	531875	61764	48437	461281	21799	173461	263715	224913	389680	307143	360292	25163	36937	23699	440056	425438	300887	471633	392914	14815	287696	248849	237420	305656	75629	62422	24512	192937	291673	452860	362065	493691	424058	221743	209845	380275	88959	64236	20709	253942	284209	223231	135667	154437	496509	309677	98076	34375	343053	227327	18952	285230	330568	Lipid	0.33333334	1.4444444	0.11111111
12	C9 H13 O3 N1	184.09682	184.09708	0.08733166	184.09683	249883	270823	268366	263501	138094	211400	245020	346777	78764	37009	57567	350112	79704	90479	185981	730493	542600	293862	232347	47631	55613	158075	208432	0	136110	6214	508419	73364	451334	408311	389741	549546	566497	616006	55087	499237	514760	204062	631178	24307	21033	232730	10873	19815	17678	84680	28745	19883	654762	332162	288987	231951	189960	15209	78709	41271	107767	426656	27985	21843	573871	10909	70157	103603	94183	229896	219571	529688	0	21977	43938	414581	342881	319020	1286130	497276	11150	267578	157283	80600	155536	42179	38658	15451	58115	86845	275910	331796	347130	506406	105464	74933	352186	21889	48351	19396	285074	269306	81665	49846	50525	705800	274404	0	0	417708	83801	18862	172437	146549	Lipid	0.33333334	1.4444444	0.11111111
0	C8 H13 O2 N3	184.10805	184.10838	-0.13867834	184.10803	8671	8440	9112	7479	19430	8411	5733	16541	17477	4407	3410	7075	19641	6624	6631	6032	19571	23681	20899	5028	11380	19677	11305	12733	10138	1479	2276	3877	17363	3753	15765	8611	25884	8425	7491	8501	11768	8850	25994	5126	5111	15761	0	0	0	5644	2846	0	10484	6134	7109	6955	24637	0	15460	9269	9587	20010	4081	5496	8609	2004	22071	16457	12685	15809	25792	18703	1241	3586	2254	7896	12426	5752	3489	9737	0	6204	8865	4023	7419	1997	3479	1600	15496	12186	12142	20711	22025	37663	9230	9109	30243	3286	2482	0	8574	7423	11625	13700	12676	10215	6512	6560	3028	27214	18735	0	10388	44937	Peptide	0.25	1.625	0.375
2	C8 H13 O2 N3	184.10805	184.10835	-0.03638325	184.10805	6113	7349	7278	7742	9095	0	4957	6852	5480	2468	2032	6377	7875	3156	6030	7216	11139	8107	6775	2501	3258	20384	8468	16104	4556	0	0	1338	5677	3481	7952	4788	9459	3479	3550	4616	6693	6448	13667	2067	2252	5784	0	0	0	4360	2587	0	5675	2810	6407	6345	8583	0	3983	3606	5533	15689	1359	2545	7004	1128	9359	3953	5322	9486	7786	12740	0	3933	1243	5211	4502	3413	3690	3973	0	5481	15224	3599	9369	1954	2080	1108	6681	5266	23762	11737	6366	195484	3507	4468	64124	2119	1445	0	5977	6811	3789	5851	5458	5145	6542	3120	1865	18442	6186	0	19416	15206	Peptide	0.25	1.625	0.375
4	C13 H13 N1	184.11208	184.11237	0.018552223	184.11208	5168	4633	4414	5092	2048	2281	1005	6097	1581	4765	4015	1248	1143	6225	1140	15018	3982	7718	12890	7619	3352	586	2381	14308	3099	794	2079	6189	5706	3849	3838	6573	4309	4949	3018	4635	3744	1818	2132	0	0	1520	0	0	0	0	0	0	7614	4797	5413	3945	4493	0	1144	360	1090	16901	0	0	13672	0	491	1281	988	1926	4065	9232	0	1577	0	4300	7326	4258	11161	5579	0	1645	2450	0	2443	0	0	835	1197	335	3568	5444	6423	23978	3339	0	19792	0	3293	0	4312	4218	1089	695	730	3270	1705	0	0	11357	589	0	2704	694	Phytochemical	0.0	1.0	0.07692308
8	C13 H13 N1	184.11208	184.11238	-0.030146345	184.11208	0	1475	0	0	0	0	0	953	0	6166	21147	0	0	0	0	1511	0	0	0	4720	1653	0	0	1493	0	0	0	8724	899	0	0	0	1733	776	2202	826	918	0	0	0	0	1494	836	0	0	0	0	0	0	0	0	0	0	283	0	0	0	1312	0	0	0	0	0	0	0	902	1016	0	0	0	0	1165	1164	844	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1256	0	0	0	0	0	0	0	0	0	0	0	1213	0	0	0	1844	0	0	0	0	Phytochemical	0.0	1.0	0.07692308
2	C10 H17 N1 S1	184.11545	184.11597	0.18711555	184.11548	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24108	0	0	0	0	0	3691	0	10025	1165	0	0	0	0	653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22994	0	0	0	0	0	0	0	0	0	0	0	0	0	2026	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3996	0	0	0	0	0	0	617	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.7	0.1
0	C10 H17 N1 S1	184.11545	184.11569	-0.15743822	184.11542	2511	2320	2318	2889	0	0	0	3754	0	0	0	0	0	0	1249	0	0	0	0	0	0	3451	1734	7914	3288	0	0	0	0	0	0	0	0	0	0	0	0	1841	1067	0	0	0	0	0	0	1813	0	0	1829	2143	2737	2081	0	0	0	0	0	20062	0	0	0	0	0	0	2388	0	0	1732	0	0	0	0	0	0	0	0	0	0	4309	0	0	0	0	0	0	0	11789	0	6117	34980	5162	0	33511	0	0	0	2895	2670	0	0	0	0	0	0	0	18895	0	0	2606	0	Organosulfur	0.0	1.7	0.1
4	C7 H13 O1 N5	184.1193	184.11952	-0.18450631	184.11925	1610	2253	1627	1910	8712	1163	4529	0	33838	0	0	1840	21812	9157	9852	0	637	11798	70298	0	0	709	3232	0	11781	0	3252	0	0	0	0	0	0	0	624	0	4269	6846	811	0	0	0	0	0	0	0	0	0	0	0	1533	1696	467	0	34393	2783	4574	0	639	0	0	0	131372	10687	7937	18178	553	1128	0	0	0	0	0	0	947	281	0	3212	3011	0	2546	0	660	0	33664	11088	1500	1492	0	1275	0	0	4072	0	0	0	2188	516	4278	13461	14498	650	3176	0	0	0	6723	0	4168	138304	Unclassified	0.14285715	1.8571428	0.71428573
0	C7 H13 O1 N5	184.1193	184.1196	-0.24485801	184.11925	0	0	0	0	1833	0	0	0	614	0	0	0	0	0	0	0	0	3183	3377	0	0	0	0	0	0	0	0	0	0	0	0	0	807	0	0	0	1692	0	1293	0	0	1530	0	0	0	0	0	0	0	0	0	0	1764	0	5321	411	0	0	0	641	0	0	21645	5820	5621	2546	1832	1505	0	0	0	0	0	0	0	0	0	0	0	698	0	0	0	0	3272	9005	0	1632	1752	1895	0	0	0	0	0	0	0	0	763	899	1653	1757	0	0	0	0	2033	0	0	1303	Unclassified	0.14285715	1.8571428	0.71428573
2	C7 H13 O1 N5	184.1193	184.11958	0.003200006	184.1193	15896	16719	15235	14851	24762	24278	8792	10606	37896	1209	1704	15783	5803	44782	8607	7274	10096	158157	136125	2269	1573	657	6331	6411	3551	0	3470	9202	13401	11777	11909	15857	17514	15523	1450	13434	17507	4633	8158	588	0	10432	0	0	0	1540	437	0	14273	10611	14367	14610	17672	0	61957	17190	10191	8109	255	391	6183	305	14976	59869	35293	4148	20798	13841	0	291	0	12042	17607	12700	7864	15908	0	9671	4001	3216	3534	0	768	459	75223	43947	3208	31363	37294	7211	2593	0	5382	566	464	0	13700	14645	24052	1657	4442	13019	8716	3673	519	6127	15796	0	4443	15997	Unclassified	0.14285715	1.8571428	0.71428573
6	C7 H13 O1 N5	184.1193	184.11964	-0.037789226	184.11928	0	0	0	0	0	0	0	0	1645	0	0	0	986	0	0	0	0	0	18097	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	748	0	0	5436	612	436	0	0	0	0	0	7670	3277	0	1571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	844	0	0	0	7334	0	0	0	0	0	0	0	0	0	0	0	0	0	5588	3440	7114	0	0	0	0	0	1058	0	0	1242	Unclassified	0.14285715	1.8571428	0.71428573
6	C10 H17 O2 N1	184.13321	184.13347	-0.028726202	184.1332	7520	11031	8675	10092	10987	5668	5856	8492	5127	11360	7041	4907	8652	8304	4362	12479	6317	6373	6939	10037	14034	15493	4387	9047	4153	6162	6601	5821	7373	7745	6993	9543	15313	9420	10833	7697	10848	5226	10295	7199	9960	5503	1054	769	558	13498	18676	661	10153	6085	9654	9716	8054	1115	5729	4154	3710	14717	3522	9896	9657	4993	7371	2336	3280	9649	6302	11049	5837	8017	7399	7667	7571	8558	7529	8665	687	3937	5013	7681	2926	13176	6862	8521	3883	3357	6230	6909	6718	24389	25706	28653	16605	8354	12626	898	10584	8752	5362	6330	7168	12218	5734	10058	0	8952	6572	760	6319	9312	Lipid	0.2	1.7	0.1
10	C10 H17 O2 N1	184.13321	184.13345	0.005963726	184.13321	17551	21213	18362	12587	15947	10564	15842	11338	8664	30590	16410	8003	9757	18088	9022	27651	25635	8633	8981	28353	26360	24765	5145	8030	11143	32966	28709	21160	19135	16869	13218	20194	21155	21598	26318	21778	20516	7739	30840	24511	28881	14192	2692	1453	1537	35429	57947	1107	19915	11841	20270	19169	11082	3466	6144	4919	5788	24364	14297	32492	20323	11082	10203	4947	8230	20835	14494	28710	23275	25216	34823	13009	24140	30722	34201	20913	2060	8288	6687	18258	5910	32306	23574	21335	6353	9979	16403	11871	10641	23152	48487	38012	13290	20146	38615	2630	16575	18413	6911	6170	7671	17519	11284	26007	0	11993	12687	1243	10277	12103	Lipid	0.2	1.7	0.1
2	C10 H17 O2 N1	184.13321	184.1335	-0.07005227	184.1332	140118	148968	123474	128127	144500	89203	48055	124156	81780	143959	71945	54607	157124	93701	45368	213540	125953	152040	173583	151009	165035	145145	45940	87929	68566	6512	63575	86033	133732	144165	140222	152474	205737	131667	151353	145455	194867	40593	139163	109960	112405	81096	4200	762	998	76244	66142	1010	193210	109582	124039	129544	111523	979	97044	47648	36532	244897	16579	41053	211714	45725	235384	69234	43295	148030	110055	182967	9758	68577	87009	124256	135893	164476	136776	135185	715	52260	72997	42474	29492	26776	35588	71546	66132	45685	112520	87228	129781	310705	125043	174534	184586	62840	118889	1725	128254	131939	69984	81848	78816	204615	44915	122137	33077	155870	81043	817	56514	194496	Lipid	0.2	1.7	0.1
12	C10 H17 O2 N1	184.13321	184.13344	-0.014644927	184.13321	38675	53257	46109	54247	41185	21318	38609	27111	7985	79263	21614	16299	33187	34321	14107	84757	67415	17019	12324	43910	40090	38086	9132	27315	21334	27869	57276	17840	31179	57976	26348	72688	39830	47520	31401	54117	55123	15000	56636	36630	38413	30696	19361	2432	1450	40048	64456	1668	72199	44178	56028	54847	16733	29283	4518	6154	15886	65130	10319	39820	45590	10182	17947	4326	16391	55477	20690	84685	17304	33740	31329	45786	53854	59923	153480	57765	1735	13417	10018	18789	7948	23882	26907	28963	10151	18868	22171	25964	12977	57087	98316	65100	38995	19362	113150	3947	43263	44715	11164	5602	11034	74960	12709	39551	0	24354	17910	1540	15711	51681	Lipid	0.2	1.7	0.1
4	C10 H17 O2 N1	184.13321	184.1335	-0.027066417	184.1332	26047	29337	29583	28089	46227	17712	17433	31602	22069	17392	10884	16430	71670	18385	9679	144919	43169	35756	33350	19750	30148	30106	12421	99183	19532	2722	16843	12964	17465	14794	22509	21755	34260	21870	28254	18660	27009	11100	53013	13079	17100	16978	1200	777	838	30640	18921	1043	26041	14659	28003	25070	31095	1003	56344	24274	13007	153721	4163	15297	123561	8370	82515	44672	16492	73578	20213	50797	3693	11541	7801	22707	17142	14376	23777	15617	755	13836	15603	15629	10056	10914	9194	10328	31944	14795	21445	23570	24094	48646	20179	18117	41481	15018	14798	1522	29417	30252	23106	34260	32933	28479	16829	13853	8240	35315	23754	973	27429	60612	Lipid	0.2	1.7	0.1
4	C9 H17 O1 N3	184.14444	184.1447	-0.10040112	184.14442	1999	2072	1757	1459	993	4540	946	0	622	0	0	507	646	40574	355	1404	1580	2511	1175	0	874	4422	546	646	1057	0	1504	0	764	544	618	0	1452	605	952	0	1057	357	2273	0	0	15174	0	0	0	0	0	0	0	681	2005	1870	13142	0	866	791	10473	8054	0	0	793	0	248	893	4865	729	17012	2063	0	0	0	602	670	321	2147	1085	0	446	3119	0	1641	0	0	517	385	1333	7163	2036	1661	15725	0	0	3416	0	0	0	1548	1334	565	0	0	857	740	0	0	1108	3897	0	1116	400	Unclassified	0.11111111	1.8888888	0.33333334
2	C9 H17 O1 N3	184.14444	184.14473	-0.086173385	184.14442	11184	10546	10789	11181	2248	0	8155	16241	2086	13960	5821	7240	4207	3173	10808	25260	15583	4940	7151	12040	12986	23490	10536	17462	15307	2879	7123	4785	11067	10802	11783	13336	14003	8201	15159	11217	13156	9720	19426	16965	14029	5179	0	0	0	8882	10955	0	15586	12058	10596	10779	4022	0	2623	1144	2375	28976	683	1610	19512	5535	2444	1812	3990	3746	6473	21203	2647	7450	6153	9057	8065	9273	16516	10821	0	7833	21533	3507	10269	2696	3078	10038	1150	3449	25351	6209	7364	60243	12661	8914	70985	6287	17932	0	11924	12978	1744	802	742	12357	6876	11886	4803	23814	1128	0	19117	4606	Unclassified	0.11111111	1.8888888	0.33333334
4	C11 H21 O1 N1	184.16959	184.16989	-0.013103089	184.16959	11459	13761	13071	12161	16273	9855	10036	9580	14759	17237	6711	5395	9412	11556	3440	11403	17206	29954	26991	12213	15007	12319	2925	4589	5772	12042	11159	7188	11054	15489	11694	13292	19337	13243	25652	10803	16404	3842	18109	10660	6644	4929	0	0	278	5862	8123	0	10972	9614	12333	11302	8158	0	22050	3647	3801	12301	0	419	9068	5908	45482	21113	6069	7502	7281	22982	9339	12823	18642	9073	19894	22709	13573	20144	244	5481	6760	6367	4784	2051	1126	11426	12766	3228	11129	9543	10392	15793	41940	3733	11279	11839	15955	0	11590	13498	11814	5734	5197	11573	4375	8300	3675	7622	9817	343	7328	26067	Lipid	0.09090909	1.9090909	0.09090909
16	C11 H21 O1 N1	184.16959	184.1698	0.17093481	184.16962	2612	2633	2435	2167	3024	0	8894	0	8823	0	0	0	3299	0	0	0	0	0	0	0	0	0	0	0	4930	12494	12523	11545	0	0	0	0	0	0	0	0	0	0	0	6988	0	1618	2021	746	735	0	0	438	0	1361	0	0	0	4556	0	0	2243	0	0	0	0	0	7180	2169	0	6046	2545	0	0	0	0	0	0	0	2241	0	843	0	0	0	0	1416	1276	8388	4809	0	0	0	1496	0	0	0	0	0	0	1156	0	1578	64629	0	0	5124	0	0	0	0	5479	560	7524	0	Lipid	0.09090909	1.9090909	0.09090909
22	C11 H21 O1 N1	184.16959	184.16978	0.022516929	184.1696	4423	5943	4148	6208	0	0	4063	5209	0	16347	21929	2663	0	10572	0	2407	9184	0	0	6729	0	2269	0	2255	0	6803	6989	33644	8198	8713	6697	13847	6079	3419	1740	16693	5460	0	7467	8045	7470	99361	3237	0	2053	7743	8752	0	5506	10269	4844	5454	1438	5270	0	2056	3772	3179	1846	13893	2514	4342	0	0	17457	1595	11907	17287	4529	16243	8154	3091	5909	22041	5794	27795	2897	3608	0	16866	0	11375	2462	6347	11132	93383	0	3185	2403	4559	5804	6759	6043	3514	5614	0	5376	5489	2928	2264	4585	6863	2918	31649	5496	2443	10695	0	0	2632	Lipid	0.09090909	1.9090909	0.09090909
2	C11 H21 O1 N1	184.16959	184.16988	-0.06671055	184.16957	79965	79181	59347	73806	15027	0	34216	39199	3758	212169	27951	15548	48188	219909	16451	140424	163621	11041	16071	157452	41537	65589	20179	101644	35905	23462	339289	18516	33958	87905	33895	46293	90317	27076	76497	66760	96192	13945	187953	48661	22578	18320	461	0	0	72533	21795	0	76385	61076	63785	64473	13536	260	4952	19317	15172	108211	1106	2209	1268153	10745	371201	5475	9515	23827	27114	176633	18064	36030	35426	45664	62796	104892	94718	83186	0	19063	45650	18169	24394	7617	5313	22619	4510	9498	61319	9563	21793	82300	138908	59803	83453	28635	273466	0	70185	60110	5421	4071	5832	113683	13236	167751	7431	77266	3617	0	23980	90260	Lipid	0.09090909	1.9090909	0.09090909
6	C11 H21 O1 N1	184.16959	184.16988	0.016436733	184.16959	10011	10785	12096	9329	687	0	22494	56338	0	9312	9300	23669	969	749	9471	9420	9859	678	1030	3013	3267	1265	0	753	4067	1074	18092	16268	29582	65081	54025	43308	29095	28883	9495	51122	27757	10973	11704	2467	908	600	0	0	0	2147	0	0	28817	58912	12245	7388	0	300	0	0	0	6270	0	0	8378	0	870	0	1985	0	1218	10285	1855	3565	2440	76630	77438	64034	41177	49915	0	20847	482	0	0	0	0	2591	0	1413	4080	0	994	2369	0	0	0	1318	1967	0	10719	7501	417	0	958	22426	19865	0	0	3919	1340	0	5123	0	Lipid	0.09090909	1.9090909	0.09090909
10	C12 H25 N1	184.20598	184.2062	-0.028665906	184.20598	0	0	0	0	5357	0	0	0	0	0	0	0	15536	32610	0	0	0	0	0	0	0	0	0	0	0	0	1483	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2897	0	0	0	0	0	0	2495	0	0	2821	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	993	0	1209	0	0	0	0	0	0	0	0	0	0	0	0	1471	2114	3276	0	0	0	0	0	839	0	0	0	Lipid	0.0	2.0833333	0.083333336
12	C12 H25 N1	184.20598	184.20622	0.0170691	184.20598	0	0	0	0	0	0	0	11753	0	0	0	0	0	0	0	2896	0	0	0	0	0	0	0	0	0	0	0	0	20406	5280	22010	7285	0	4356	0	4109	0	0	0	0	0	0	0	0	0	0	0	0	2757	2311	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20907	25737	0	28424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1533	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	2.0833333	0.083333336
6	C7 H8 O2 N2 S1	185.03792	185.0382	0.12609336	185.03795	4171	5912	5036	3943	2551	3231	8204	6622	1441	0	0	3802	1165	8919	4221	12651	8581	3030	5149	0	0	4348	3560	21314	7937	0	8156	0	6565	5108	10055	10399	9496	7786	1631	6465	11101	3131	10135	0	0	1995	0	0	0	3334	0	0	12741	7173	5070	3818	3698	0	791	991	1498	12866	0	0	9624	0	3150	1069	1671	4076	6034	13280	0	0	0	6583	6103	4514	6410	6009	0	2684	5901	0	9057	516	636	0	1624	3725	5784	9520	6520	16295	0	0	17826	0	0	0	5107	3421	1970	1185	1824	10147	3335	0	0	12347	2988	0	8440	2772	Peptide	0.2857143	1.1428572	0.2857143
10	C7 H8 O2 N2 S1	185.03792	185.03812	-0.03265679	185.03792	10007	11081	8912	9297	0	1430	13843	32217	0	0	1232	13765	0	3461	9801	40702	0	2174	2896	0	0	1942	5471	10769	6363	0	15828	0	52183	58505	41312	51458	18299	57008	0	67034	21032	7704	26658	0	0	8647	0	0	0	0	0	0	66106	34557	7513	11187	1863	0	0	0	1450	36336	0	0	43219	0	0	0	1748	0	7042	27076	0	0	0	44063	54204	53383	72854	58341	0	11358	1926	0	1889	0	0	0	0	622	7524	4703	5694	14063	2877	0	7180	0	0	0	9408	11404	0	0	0	16542	14134	0	0	18873	0	0	6421	0	Peptide	0.2857143	1.1428572	0.2857143
28	C10 H9 S1 Na1	185.03954	185.03978	0.23384878	185.03958	0	0	0	0	0	0	0	0	0	3696	9778	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21985	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16118	0	2353	0	0	0	0	0	0	0	0	2352	5242	0	2109	0	0	0	0	0	0	0	0	0	0	2304	0	0	0	0	0	Organosulfur	0.0	0.9	0.0
8	C8 H8 O5	185.04445	185.04471	0.009757243	185.04445	37966	40034	27547	39529	97198	81876	18981	33508	94745	12069	16958	27551	158925	85625	32784	31822	24318	93587	119154	18375	15501	25234	43551	35112	22608	6201	18406	10603	33040	33840	39836	32903	32230	32891	21474	26489	34542	27849	30932	12335	9970	53617	11249	11013	20267	21362	9814	19091	32509	26302	31010	37598	77071	18765	77077	68670	43547	31102	9617	8347	29608	6855	148629	63744	40132	123983	57112	26683	9100	7827	8256	34836	33234	27607	21322	36562	13541	24879	36607	17204	32837	13333	10640	6235	73555	40902	35948	47614	62671	20641	16121	23935	29254	15069	10948	17478	43038	40120	69239	82850	88649	33954	29591	14273	11825	31747	63335	18226	23513	139357	Phytochemical	0.625	1.0	0.0
6	C8 H8 O5	185.04445	185.04472	0.025513912	185.04445	24064	29111	17600	27107	67465	75744	13908	17194	55096	9536	13077	15592	107639	64042	15933	17416	14923	69320	67540	12949	12908	19409	24137	24413	13629	6195	9550	6365	21120	20458	22433	20138	28623	25314	14404	17800	24100	15129	16398	7326	8021	36904	10914	9948	17047	17166	9611	14649	20549	16489	24530	25755	44373	15701	45895	49609	27225	23687	8988	8417	22014	6679	95559	31513	20201	86964	38014	20648	11556	10385	8075	23543	21803	22194	11474	22128	13119	12395	16085	6911	20318	14293	8771	6743	54215	34021	18735	32821	42238	16091	12712	9315	21489	8477	7248	14842	26203	26252	36737	60368	73215	26491	22457	8473	14218	23573	44430	12986	13634	95918	Phytochemical	0.625	1.0	0.0
10	C8 H8 O5	185.04445	185.0447	0.030719109	185.04445	27248	30955	23112	26507	71076	67092	15855	23624	78781	13669	16792	20350	145455	72350	30669	23498	21072	84311	89777	12216	13078	17597	38329	22525	24460	7234	14901	12573	25509	25897	23129	23191	42106	23512	15074	22193	35493	25402	20082	8671	7874	41010	14640	13396	20536	12948	7122	27691	22705	16208	29011	31576	55982	20753	79937	55962	29221	27645	10707	8956	29599	6986	110447	55683	30930	95592	45394	24692	11537	9089	6640	21579	20490	19790	13766	26264	15721	18034	25530	14739	30091	17795	11591	8018	57932	41349	25260	44487	46373	16831	17226	20651	25671	13343	10179	19888	32048	33627	47977	65153	65280	28156	23506	11837	0	22544	45996	24531	19819	123436	Phytochemical	0.625	1.0	0.0
16	C12 H8 O2	185.05971	185.05994	0.012009972	185.05971	11034	8910	8883	7821	13059	14324	9964	10524	11493	10620	8519	7869	11629	11304	9261	12016	10355	16914	14413	10588	3612	11563	7887	5616	11364	8176	9665	4593	7826	9926	7063	12558	14718	7253	12582	10750	13628	7560	11608	6870	3756	9610	1950	1384	1525	7387	5822	1682	10701	9235	12137	10850	10408	1297	10996	6190	9580	10531	7006	5185	13342	4526	9498	9252	7567	23480	17092	8198	4540	7054	9665	10065	9563	7885	8622	13014	1461	7358	12118	5283	6679	7373	7001	1948	7324	7903	11439	10762	12380	0	10755	7526	0	3769	6920	1954	7578	5946	8053	7500	8738	17021	7952	6440	0	14819	6728	1541	7002	13973	Phytochemical	0.16666667	0.6666667	0.0
18	C12 H8 O2	185.05971	185.05994	0.0693504	185.05972	9224	10710	7483	7035	8460	21974	6630	7749	9719	4722	6615	8396	8243	12091	6088	9047	9900	13150	14588	4525	3292	11225	11077	8857	8381	3917	9029	6116	10691	7273	10751	10123	14181	7123	8334	6164	14972	6678	6190	4190	4567	12603	1743	1544	1583	4711	3858	2121	11123	7924	6739	9081	10185	1899	8451	7389	6753	15731	2743	3424	9433	2136	10642	10300	6494	13053	14102	6788	4188	7763	7888	8406	6426	8850	4676	8210	1691	6291	5744	5562	5431	3546	2656	3572	8364	6938	6931	8150	12307	6545	7453	9378	10674	4861	4558	2860	10207	6763	9997	6714	4890	9825	9828	6096	2985	6759	4125	1581	6037	10803	Phytochemical	0.16666667	0.6666667	0.0
14	C9 H12 O2 S1	185.06308	185.06326	0.07256254	185.0631	2557	0	2218	0	4411	3439	0	0	1895	0	1477	0	4524	1957	0	2651	0	1969	0	2087	1993	0	1275	0	1453	0	1216	0	0	0	0	0	0	1335	0	0	0	0	2760	1492	0	1292	0	0	0	0	0	0	1922	0	2281	1606	3566	0	0	1840	873	0	0	0	0	0	0	0	0	0	0	2295	0	0	0	0	0	0	0	0	0	0	0	0	0	2561	1345	0	1706	0	2051	2319	1674	0	20651	10867	0	2703	6805	0	0	0	1401	1009	1586	0	1030	2632	0	1475	1553	0	0	2417	Organosulfur	0.22222222	1.3333334	0.0
12	C11 H8 O1 N2	185.07094	185.07115	0.013566198	185.07094	2030	3013	2655	2212	1305	0	3861	9774	0	0	0	4128	0	1264	3587	10427	11842	1755	0	0	0	0	2196	8424	4804	0	1679	0	7619	4039	6276	4270	6213	4457	0	4852	4622	2681	14485	0	0	3022	0	0	0	1957	0	0	2886	3256	2020	2663	2588	0	0	0	1680	5894	0	0	0	0	0	0	0	2486	2636	13449	0	0	0	5736	5859	4775	5557	2618	0	4893	3682	0	2858	1774	0	0	925	1051	5054	2693	2770	30001	0	0	13142	0	0	0	3555	3087	0	0	0	4270	2418	0	0	14609	0	0	7195	0	Unclassified	0.09090909	0.72727275	0.18181819
8	C7 H13 O4 Na1	185.07843	185.0788	0.46252128	185.07852	0	0	0	0	0	0	0	0	0	0	1220	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1497	327	0	0	0	0	0	0	0	0	0	0	0	0	650	0	6647	0	0	37790	0	0	1912	0	693	0	0	1193	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.5714286	1.8571428	0.0
10	C8 H9 N4 Na1	185.07977	185.07991	0.22515592	185.0798	612891	525458	518923	520151	720761	798444	694522	940618	647217	210899	239237	470292	859728	1950768	679510	809589	667966	977897	848168	224548	171939	236223	580968	392676	590434	158386	666348	416687	1116379	986861	1004477	895942	834218	939880	215588	955712	809456	552045	697919	105196	90167	696987	175682	80085	87239	203017	85983	96752	930247	719043	582521	573536	678412	108773	684686	370397	361003	1005856	116729	109310	997277	63590	805659	498536	882060	1064596	1016571	681449	96803	196629	113391	962074	997114	1177222	684761	1008324	72627	468800	362494	388855	367712	192289	606902	573614	520854	565504	599086	506240	651605	332433	348506	298078	386728	153370	114721	107312	536358	631266	507091	441536	537472	722535	513142	190895	104609	568693	432492	93377	398596	790198	Unclassified	0.0	1.125	0.5
8	C9 H12 O4	185.08084	185.08109	-0.05971327	185.08083	331894	341658	236976	333809	495528	422022	397171	334045	378255	167969	145028	230860	733503	2176289	296164	305988	319487	581078	562436	213094	151082	168270	268626	234609	232848	163131	369067	195553	391717	344630	299053	400176	376016	362857	162658	385630	370773	248490	370834	100735	96638	402752	173646	64562	85300	220382	86003	77160	338073	310970	316791	332952	392016	90430	393047	277667	264340	316094	98447	107935	440039	59094	1080613	320782	561967	652316	979699	301444	73956	223187	97517	357964	412301	401940	256237	440735	61823	242011	190105	207868	181060	143972	581292	621448	321615	251868	278061	307582	394222	192754	135001	147576	218547	96187	91479	111234	321612	357957	324153	428454	443739	367923	249112	179691	63034	238040	307182	70423	197183	628704	Lipid	0.44444445	1.3333334	0.0
26	C9 H12 O4	185.08084	185.08105	-0.017343	185.08083	76979	72054	73551	73984	57903	58444	61449	70462	74940	49147	62829	71298	53909	69242	69336	57752	47993	94373	61380	59854	48067	57915	66405	58446	58880	64465	78599	51884	63271	67367	76560	63649	62635	65923	68650	75461	68231	70256	72904	57087	76385	68670	90424	107861	109241	58253	69852	107542	68988	67960	83794	56967	98241	89217	65235	73745	74172	63101	61837	72774	62178	52183	67374	66110	68131	81946	51135	75132	65024	59552	71095	68160	469844	617099	82208	86299	89556	72336	49746	54514	63475	69877	72676	65380	57607	62864	54327	225470	70085	61297	67134	53877	61664	51918	57275	103055	78923	78479	76408	60432	74140	76035	79872	58501	66911	57765	45903	95122	64771	66119	Lipid	0.44444445	1.3333334	0.0
0	C8 H12 O3 N2	185.09207	185.0924	-0.022965241	185.09207	10982	12657	11263	10987	27245	26406	4996	24401	21738	4270	3146	9478	34184	27146	9355	5115	7183	36870	33522	5261	10865	20303	13410	16276	15974	1983	2572	5341	42084	7859	26176	14920	68205	21928	11127	15126	19607	8655	11932	4370	2101	20139	1981	2419	2141	9461	2411	1849	19547	9902	9835	9801	36963	1901	21492	9927	7793	35149	5616	3003	12504	1511	47175	17703	14699	26421	44668	10642	2243	4510	1372	16176	16879	14056	0	13953	1761	11743	8635	7304	6399	3372	3080	1393	10270	8019	10278	19658	26619	10207	23154	15782	26190	3086	3129	2834	8133	10507	10935	12767	9713	15723	11154	6986	2688	28650	13365	2159	8121	71592	Peptide	0.375	1.5	0.25
6	C8 H12 O3 N2	185.09207	185.09233	-0.04417375	185.09206	17644	20700	16636	18513	16119	13938	20321	26361	17214	6060	7428	16545	14290	11101	18742	32843	39504	24841	23433	6858	8247	15459	17248	24328	17780	1510	20035	9580	25885	22940	23576	26276	27933	24652	10144	23722	31130	20761	47123	4679	6208	18286	2099	1932	1959	12542	6597	1762	25819	24963	18326	21760	20208	2597	17982	9911	13922	35103	9155	8810	28465	2235	14547	10925	12077	18136	17035	43556	3309	4409	3739	19540	21003	21974	23145	24519	1651	14872	17986	10765	14878	7783	9144	2914	16044	15715	23054	23734	21337	50292	19400	12553	39316	5265	4511	2280	18158	17618	11868	10111	15332	31559	18498	9680	0	26883	19433	2053	20941	20573	Peptide	0.375	1.5	0.25
2	C8 H12 O3 N2	185.09207	185.09238	-0.026238687	185.09206	18205	19999	16824	16854	29426	18760	11432	21158	34551	5039	11694	15676	29996	15793	17297	10190	27610	41447	31073	7104	8066	23232	20179	18116	10707	1885	7207	16575	22922	15189	21202	17685	24418	17589	9903	18107	22016	15366	28436	5842	5406	25045	2644	2123	2055	7992	6176	3232	19797	12110	16359	19075	27563	2087	35438	18475	24813	24959	7747	10085	11610	3271	37241	24210	25877	35092	21788	28238	3177	3774	3346	18526	19807	12748	6415	15657	1763	11206	14399	29234	14057	7720	7460	3443	25725	24992	17449	39775	30082	33397	18803	15082	36986	11733	4501	3482	17188	20258	30507	16953	21714	18079	18852	10649	5981	22698	25594	3666	16124	51298	Peptide	0.375	1.5	0.25
4	C8 H12 O3 N2	185.09207	185.09236	-0.054712467	185.09206	23502	30453	25248	26579	29829	17352	22444	29308	32493	9001	9886	21581	22601	14594	22514	31667	69190	40864	39938	10203	11730	28287	20707	25835	21124	2622	23594	8470	24274	18388	27134	29214	34771	22083	16396	26275	32087	24213	78474	9994	9405	27565	2904	2353	2546	12051	9667	2680	27404	25058	25877	21642	30539	2770	36683	18808	28488	38334	10631	15308	26103	4158	24476	26916	23482	30951	20958	62460	3377	6511	7496	20712	22615	21133	30583	21812	1584	17695	22522	10972	21738	10955	11879	4750	25043	29728	26476	33616	29614	54350	19843	15834	53937	7794	7825	4232	23206	26543	28658	21759	20002	32543	23883	14852	8052	33157	32167	2595	26252	37643	Peptide	0.375	1.5	0.25
18	C13 H12 O1	185.09608	185.0963	-0.00851719	185.09608	54431	51811	44168	38880	48345	39260	48295	58366	32819	51216	37682	36207	48397	38385	48418	62415	51433	47641	61855	64698	50605	50784	41854	43238	38635	35061	40990	31301	47115	52325	49691	51311	70133	50609	49188	56557	70689	42279	63213	45429	32890	43288	5134	2346	3233	32058	29078	3698	62546	47561	50097	59358	47328	2876	47559	30123	36582	74333	32415	29664	59476	27537	42138	35795	29152	51414	53006	57653	32134	45552	46404	43526	40854	51983	53700	65474	2772	30669	50418	31525	46864	35166	32662	28589	42700	40274	48005	40562	50989	72453	60749	50110	68094	26977	49547	4583	46682	45947	50851	41155	47481	63484	38206	45562	20089	42764	32564	2659	40332	35397	Phytochemical	0.07692308	0.9230769	0.0
10	C13 H12 O1	185.09608	185.09633	-0.017699525	185.09608	21035	22339	16505	16063	13961	11960	19023	21107	16836	17732	16832	16620	15473	8308	18154	26959	24265	15181	20270	20804	21769	22085	19630	23078	16366	18258	19173	10968	24321	19257	21872	20108	22114	14988	18010	22689	19431	16463	26497	15098	15455	13792	3405	2753	3140	17921	17314	3271	21596	20482	19489	22740	15525	2172	15744	12761	11987	29575	12514	18066	22561	12996	13652	15462	10048	14023	12414	26859	17220	19072	23018	15491	15881	16742	21525	25239	2411	15466	21203	10135	27139	15897	18467	11134	17925	14532	26088	12485	13624	28103	21291	13573	27526	12133	17960	3657	22120	22210	14896	19392	23039	22288	19774	19694	0	20518	15601	2890	19863	14373	Phytochemical	0.07692308	0.9230769	0.0
16	C13 H12 O1	185.09608	185.09631	-0.022649584	185.09608	43480	49316	38344	37642	42735	35820	46060	45338	36359	39500	37909	33005	45833	28107	48359	62804	55474	47454	58270	60817	57428	49073	44689	54775	37907	36131	39142	27399	38252	46724	47284	59387	63649	40552	58952	45584	55966	36022	61533	41045	36685	33525	6037	3048	2729	34156	27692	3547	54417	46610	45735	48070	39369	2321	45370	33051	32080	63735	29670	31062	46893	21669	32123	36525	25629	52231	38176	51477	30355	43234	45148	38124	47165	48148	46618	52334	2405	32913	52338	33355	35849	33536	35758	30352	44404	33524	51914	37891	42972	55119	46277	47818	61056	29520	37495	4231	45757	40623	37791	41469	46055	62555	29464	44264	20734	50311	33327	2570	44250	43581	Phytochemical	0.07692308	0.9230769	0.0
8	C13 H12 O1	185.09608	185.09634	-0.056577455	185.09608	13499	17050	7483	11477	8069	6267	10234	14911	9159	8836	9348	10254	8966	4856	10750	10948	17141	7427	10708	11020	10093	14816	9976	9883	9494	7498	12738	4576	13628	15263	11195	15947	11123	8923	12684	10584	12499	10253	20010	10434	10981	9018	2130	2047	2554	7648	11166	2706	12310	13948	10970	14235	8945	1797	13211	9205	8449	14846	9238	11431	14250	4255	9724	9829	6262	9556	6464	17508	8203	8822	12902	10035	9500	10757	12440	16241	2146	9583	14995	4202	12636	11681	11697	7041	10837	6931	14270	6579	11564	19226	0	10749	17040	7660	8032	2417	8486	12107	8754	14818	12818	13602	12421	12002	6576	11782	8046	1823	11109	7655	Phytochemical	0.07692308	0.9230769	0.0
14	C13 H12 O1	185.09608	185.09633	-0.021019096	185.09608	38711	46173	33985	40885	37065	25538	35927	44257	37978	30055	27052	31295	26864	20640	38386	45051	50360	37245	38501	40469	39352	50544	33660	38653	34437	39942	44021	26322	39643	40439	36310	55641	51293	36588	43940	39554	39143	31130	45832	38164	32557	24942	4288	2740	2487	31402	29515	4097	48697	33877	45052	44086	35065	2260	40473	30874	28361	59395	25697	31355	32126	21007	32334	32845	22496	31437	32337	51301	21589	41105	45610	27886	35093	42363	39449	46562	2465	30951	37878	25271	41385	30264	36063	32077	38948	26500	43678	26165	39703	70641	43304	34569	54613	24929	28346	3463	39735	35609	29745	43309	41164	41206	36899	38805	22511	38992	27249	3069	32713	30020	Phytochemical	0.07692308	0.9230769	0.0
12	C13 H12 O1	185.09608	185.09633	-0.034964442	185.09608	36251	40755	28577	33107	25153	14222	25067	37687	23421	25775	20517	19771	15446	14474	23948	53518	36339	26281	34236	33585	30968	38571	27862	36379	25641	25511	36257	12857	31600	33449	35551	35826	37618	25674	32539	31859	32004	25044	49233	23636	30936	20387	2124	2400	2654	22242	26627	3698	40127	32704	33191	38654	22981	2126	28820	15466	21524	49506	21527	32437	31711	16112	23710	22738	14080	27892	21248	41832	19918	29582	29634	23565	27364	27578	36683	40125	1503	22898	31500	15328	31816	24613	27426	17493	22730	20040	34680	18154	24713	44328	25080	31983	42146	20731	26354	3537	34992	35723	25721	26540	25353	37478	24484	28172	0	28231	21468	2383	25803	20269	Phytochemical	0.07692308	0.9230769	0.0
20	C13 H12 O1	185.09608	185.0963	-0.00916462	185.09608	44232	51054	42660	36111	50594	40662	39845	50245	33931	48868	30524	31172	44903	48357	52550	59218	49365	50765	51532	57388	49847	47944	36687	50496	38189	33943	40113	26375	51623	45777	37560	57223	59727	45154	51486	38931	63345	38329	45500	37476	33632	51724	6999	4520	4262	35832	33683	5612	52959	39435	36944	52711	44519	4492	31324	29942	29501	66767	32963	27468	55482	20331	44049	33730	25068	55379	47175	49928	25413	41873	40861	42476	44274	43535	50619	53075	6845	29304	42813	37871	36503	26030	34644	21492	40477	36717	48920	44625	48302	57861	58658	40124	60774	28199	42787	5597	42808	46275	40150	44585	41696	58910	40560	45432	20550	45514	31374	4370	37856	47233	Phytochemical	0.07692308	0.9230769	0.0
22	C13 H12 O1	185.09608	185.0963	-0.010748565	185.09608	34807	37525	27017	36274	39779	33250	26390	38962	29943	30453	25512	24031	25562	30417	40308	46942	32074	41179	35281	29178	35427	35002	29287	37263	36686	27954	26343	21563	42807	41805	37443	43022	49347	42756	33161	41373	53591	34761	38934	25796	19415	36726	7823	4774	5537	24548	20031	7001	47746	40104	35452	34769	30256	5720	29479	20135	27708	45956	20730	20025	47157	15430	34739	25167	22795	36064	35777	39949	21467	29932	39212	33961	33170	36678	31097	46880	7377	24005	34282	20312	30712	18107	22020	15828	28102	25836	39479	35361	37789	44526	43695	33326	49441	19180	34679	7257	29514	35988	37595	31571	27407	47889	31731	32877	21890	36717	23168	5869	35891	32183	Phytochemical	0.07692308	0.9230769	0.0
26	C13 H12 O1	185.09608	185.09631	0.001208389	185.09608	9040	12229	7110	10999	10306	5957	6341	12594	6409	5087	9917	8927	8915	6084	11415	11015	11747	9370	11868	8716	7938	10663	8251	12889	8722	9709	8473	7896	13674	14884	13579	11340	14197	10957	10613	11977	16864	10439	11541	8828	9060	20867	0	0	0	5017	8558	0	14863	11027	11972	12527	11643	0	7133	6916	8491	14899	4841	7319	13147	4195	8150	5396	4410	10157	7140	18755	8394	10053	8428	7610	9488	10395	10357	16376	0	11351	9397	0	9908	6317	6425	6370	9214	0	13695	8054	8527	15161	10488	7254	16266	4873	6853	0	10832	9223	6967	10175	7440	13319	11870	9847	0	9336	7364	0	9378	5459	Phytochemical	0.07692308	0.9230769	0.0
10	C10 H16 O3	185.11722	185.11745	-0.10383568	185.1172	138676	114575	125934	119137	118170	123340	314325	181318	44856	56379	45352	120742	115177	646555	122086	183247	305797	103293	114634	59469	50886	43007	84463	76615	129266	71710	276497	89254	252899	240038	167641	236493	177061	193632	50596	279809	161641	104585	308379	24699	37025	212431	52846	11515	10594	54516	59640	13682	224615	174469	135045	125702	92968	21257	50841	85818	76763	215032	24994	62720	207978	16101	128824	44583	281995	203099	353132	291190	26986	54298	41540	160185	216274	283588	260662	243559	13050	98788	67076	101398	71615	60004	191504	446420	77588	113605	170233	125385	136651	113427	83834	55986	64995	27331	50622	16195	115904	145216	104339	100351	151349	165705	108343	61027	42562	142523	76688	12146	122613	84350	Lipid	0.3	1.6	0.0
6	C10 H16 O3	185.11722	185.11746	-0.18968327	185.11719	29705	35253	28458	35431	45683	34837	53775	57037	21858	13958	15445	18609	46490	104763	27878	35463	50881	40352	46148	13954	14578	17845	24376	21935	25396	22247	45698	25065	51848	49250	43336	49209	43962	41506	17504	57439	39461	25661	52371	6549	10436	37679	13033	5888	6671	16006	14743	5766	46006	49677	37753	31870	34461	7463	20884	33739	25471	45364	11133	13095	37637	5106	43291	11758	38746	60759	80007	55098	7649	15381	12641	39026	51791	79434	28337	52016	5494	19725	19964	18493	20508	18544	88498	96866	45252	43795	40418	24614	33022	48042	17349	18417	18313	12022	14120	5196	35153	33306	24215	59979	89289	50416	23735	17249	9800	26877	37287	5986	25009	23608	Lipid	0.3	1.6	0.0
26	C10 H16 O3	185.11722	185.11743	-0.012121319	185.11722	63447	55485	65303	56727	74211	77892	65258	47045	24713	21901	17578	22902	32825	106923	25172	31301	24437	46651	68210	34262	15863	19195	21296	26134	22955	14982	59353	41493	37368	34075	30457	44044	43104	30474	21238	39453	35280	24051	28810	28170	14072	113408	21931	25375	24788	30584	12956	23361	57112	35731	65943	59032	39795	28379	28631	117988	271950	39914	21131	21105	37862	13205	31891	20530	301628	50513	78592	28342	14900	29305	12294	38369	28079	31010	23671	38731	24289	23654	21902	26891	16247	22420	39780	25505	228061	514325	21063	168894	68359	25180	142528	251244	27159	14580	19701	26857	59410	65835	59117	237833	682582	34011	23780	23482	22364	22768	414651	23300	24772	43789	Lipid	0.3	1.6	0.0
24	C10 H16 O3	185.11722	185.11743	0.027687939	185.11723	84335	80476	78461	78369	88382	138753	103013	64470	29110	27881	14275	27425	48394	169663	36218	53308	39179	64136	86775	44531	21149	21200	29526	38602	29570	20317	91473	37992	50302	53452	36957	49937	73190	42536	24312	56098	68430	27960	41024	37062	16684	214507	30114	16404	23020	51728	23032	17279	86536	51535	76290	79423	63432	35851	41214	143270	347018	58619	27002	28035	59119	17729	47654	28901	602113	78643	143061	37031	11498	35595	16110	50217	37242	45297	31097	45324	21157	28221	28882	42212	24331	26282	63524	42294	296115	498471	31004	0	117627	29573	252343	264321	36877	16355	34308	20881	82893	92048	104174	221942	1061355	74909	26707	42809	21588	31831	506197	21197	26801	54765	Lipid	0.3	1.6	0.0
4	C10 H16 O3	185.11722	185.1175	-0.16614765	185.11719	14119	15018	12497	15500	16064	12810	14302	16621	13707	5333	7714	21732	12088	29979	14192	37910	24064	15406	14508	8378	6918	11199	13735	25564	12346	6019	18654	6837	21748	15426	17837	16664	18304	15453	9100	20210	16149	29340	27789	8324	7373	18476	6663	5543	7500	8504	6941	7554	21798	13803	13274	11408	14263	6445	12826	12354	12146	41826	5800	8042	21619	5708	17608	9778	13511	12447	18748	24165	6084	6011	7999	10912	17517	44458	12616	39486	5602	9587	8704	4870	9859	7437	14472	14913	14607	14674	17872	12244	16008	33736	5991	8062	27458	4839	6915	8826	13325	17736	15351	25302	27661	20094	12930	10007	6473	33644	27972	7274	30192	10217	Lipid	0.3	1.6	0.0
8	C10 H16 O3	185.11722	185.11746	-0.13160837	185.1172	58224	66175	48749	62500	59601	46300	150337	62523	29744	25733	21969	39114	62555	344636	51571	77792	132080	44234	63451	33622	29304	26842	44069	40907	54795	75025	126684	24940	87220	68453	59102	94117	67806	69696	29561	86715	77241	49969	151891	15304	22165	76305	23965	6485	8310	30723	29847	7421	88606	57948	53390	66432	58066	9585	32911	40998	42039	75485	18710	28018	89877	11974	95519	30681	178497	63461	142970	126028	17315	30902	26571	49902	78260	89658	80950	85317	7050	41720	37711	28995	32016	49222	266804	359742	62692	47616	75161	42154	55338	73772	36142	32820	40763	17794	18667	9712	60500	69028	41131	95399	123996	83093	40080	32638	14348	55527	45860	7031	61178	40603	Lipid	0.3	1.6	0.0
8	C9 H16 O2 N2	185.12845	185.1287	-0.07557693	185.12843	11497	16258	11372	12081	22464	16167	6364	11212	8303	2793	3274	5552	8001	63210	6534	19606	9886	11020	11079	5254	5114	15464	6870	50635	12771	3455	7261	38873	9092	7792	7163	9483	12674	10119	9777	9090	11709	7086	9863	4088	4667	12522	4856	379	297	15344	4827	576	10984	9591	12178	14079	11600	2043	4163	3511	11590	14969	2718	5463	21099	1455	7513	6407	5272	9386	35782	10829	0	5593	4593	8733	7232	4790	7775	9582	251	5981	9172	164607	6630	5946	11943	2770	5594	5258	14371	14505	7598	24445	131592	51026	34424	13514	5315	3809	11234	14053	6119	4319	3682	13944	6213	7992	0	21586	8816	394	14636	9553	Peptide	0.22222222	1.7777778	0.22222222
4	C9 H16 O2 N2	185.12845	185.12874	-0.1047473	185.12843	11324	14540	11460	9340	7396	4720	4859	8935	5182	2153	3428	4732	4715	4043	4896	13030	12041	7765	7520	2682	2744	10676	6249	53573	4547	1200	5460	11818	5266	4786	10217	8383	9786	6832	4756	6274	12289	6301	19208	2757	3710	5590	0	0	0	14024	6409	0	8212	5522	10890	10243	5454	261	4668	3519	4334	17043	2356	5289	13835	1753	7221	3511	4135	7060	4966	13683	1265	1923	1949	5036	7102	5163	5988	7911	0	3817	9912	35891	8026	5821	3674	1628	5581	4895	15485	7393	9750	27874	136702	80727	18216	9395	4909	456	6963	9991	7016	6726	6459	7231	6199	3865	3813	9115	6086	303	9280	9552	Peptide	0.22222222	1.7777778	0.22222222
6	C9 H16 O2 N2	185.12845	185.12871	-0.06623554	185.12845	27579	27749	25004	27928	18872	19022	20605	36476	10200	5393	7585	14173	11097	13832	21727	50818	45842	19775	22257	3997	4331	15942	16952	43353	25451	2137	15635	27198	36171	36241	60371	31418	38681	33399	7193	34427	36545	17205	51809	2634	4560	33111	0	287	0	12566	7058	0	44022	38847	27936	24426	15888	460	14927	8394	11448	58876	2962	5537	46926	2463	20431	8259	9224	17198	21610	85191	2481	6122	5940	33431	29671	29889	29176	31604	233	13280	23917	123965	12009	5981	5543	2763	41174	17368	56870	20009	17884	49092	119654	53205	44425	13101	7601	366	25956	19453	32494	12967	19831	40313	14964	11463	0	33231	18325	287	22937	9833	Peptide	0.22222222	1.7777778	0.22222222
10	C9 H16 O2 N2	185.12845	185.1287	-0.02343371	185.12845	3097	3731	5903	2526	6431	3599	2127	1417	7107	1336	1966	1073	2036	1668	1400	4309	2705	6412	5090	1707	1359	5122	928	3204	2995	0	3176	15128	2087	1885	1669	2000	4549	2038	1421	1647	3940	1643	5285	1936	2578	1697	0	573	391	0	2565	0	1180	1447	3218	3815	3681	329	1309	1263	1588	3796	4175	4384	0	1116	2493	1612	5893	2358	3433	4477	0	0	0	2233	1481	1262	2387	2418	0	1020	1196	55449	1378	1912	3928	0	3523	6523	2009	2436	1998	6614	110451	38547	5194	5365	2371	525	4399	3145	2744	1025	1916	2952	1316	4800	0	3189	2999	0	3395	7190	Peptide	0.22222222	1.7777778	0.22222222
18	C14 H16	185.13248	185.13269	-0.03578749	185.13248	65140	64575	62190	50715	54754	39012	72790	78791	30854	37054	39331	51748	38019	44398	53336	97666	101738	52935	57815	56562	55162	72639	55608	69484	54766	45140	75322	34240	54201	59779	64653	77415	79113	54642	43638	66287	68704	56596	116671	43412	57425	40043	3165	1250	1396	38222	52471	2106	76226	63839	64527	66735	40749	1738	47040	42094	44360	103609	39113	63663	89937	24478	50695	37148	36585	47409	47149	110325	41066	48739	60920	52369	54455	73586	96515	80152	1364	38623	71410	58132	57748	41288	67036	54371	56729	46230	84967	44247	49257	185947	96170	72523	140589	46163	64814	2869	61320	62042	42582	66327	66170	69355	45197	60812	22679	58555	41671	1146	67398	40718	Phytochemical	0.0	1.1428572	0.0
24	C14 H16	185.13248	185.13266	-0.02712268	185.13248	74654	83557	69699	71784	64775	45949	79298	101022	43529	53117	52976	61395	53134	56886	103071	147047	111046	57254	85394	75334	76084	91311	78498	107309	102852	45487	75374	57244	85539	88737	70812	97097	94442	81926	69124	101120	94569	85977	120748	56447	53326	89663	6222	2042	0	49957	50918	2607	101386	81138	71118	79465	63410	0	57571	43351	43072	152284	51516	55139	129869	30664	51757	42895	38042	63028	69419	101876	37153	39292	45053	72798	78389	82815	76488	98428	0	65940	99361	69112	76253	45194	64581	46172	48904	44468	127644	63463	75454	196817	142303	95268	179227	63721	81233	3403	82031	72818	55721	50975	61444	118628	60757	85629	37361	108534	46300	2237	106744	49669	Phytochemical	0.0	1.1428572	0.0
12	C14 H16	185.13248	185.13272	-0.016610943	185.13248	16794	25478	15369	16647	11588	6379	17185	20460	8031	9890	8960	10104	5961	9313	14758	27233	24019	7513	14622	14063	11415	22314	13644	16643	14993	11406	19800	0	12561	14492	16534	20996	18503	15287	12350	17928	15497	13858	26910	11783	17502	9622	1037	1336	1162	11356	14799	1617	19761	17769	17858	22695	8806	1357	10480	10369	10873	23194	12439	18751	0	6915	8001	7383	6252	10687	7106	23167	0	11046	14284	12692	16103	20772	25203	22127	811	12310	16352	0	17891	14103	21827	10433	13097	8424	22699	9627	9508	46049	20533	14931	28646	10268	17350	1637	25573	16538	9207	18082	13784	15601	13483	20218	0	22327	11151	1141	18140	7322	Phytochemical	0.0	1.1428572	0.0
14	C14 H16	185.13248	185.1327	-0.045336947	185.13246	26055	35923	30221	33050	19919	16737	30589	33034	17341	15253	15796	24016	19104	13864	25217	42122	47935	18354	16231	22426	23715	34781	24761	29111	26901	31088	34966	11766	24701	33315	30184	29827	32271	24084	22831	31915	26177	23464	51837	21121	26720	18036	0	1051	958	16407	24055	1354	32104	28325	38324	29560	15715	1216	17057	20011	17758	51592	16032	37512	37047	11311	14180	15928	14776	20899	15900	50794	22564	24277	31922	21467	27318	31074	37019	32946	864	19447	38410	18816	29423	24305	39082	30724	28998	12761	41114	17387	20445	89039	30338	28499	62293	18034	25373	1646	31740	27206	14550	35175	38855	31713	21410	24837	0	35788	16959	1224	31330	12718	Phytochemical	0.0	1.1428572	0.0
28	C14 H16	185.13248	185.13268	-0.023826605	185.13248	10408	11055	10224	9203	10764	5042	11082	16843	6140	5838	6931	8209	6937	9262	12688	15602	11941	8285	14137	9045	8104	12073	11801	12382	10837	8279	12122	8508	12355	11937	10573	14511	15466	11898	7910	16743	10131	12833	13706	5841	7003	10916	1952	1531	0	6471	5529	1936	12862	13048	11090	9477	8704	0	7197	5763	7102	18745	6331	5654	15440	4165	6102	6737	4538	10936	8380	12034	6564	6132	7658	10338	10158	13751	8689	16475	0	8179	13500	11445	8872	5481	8549	6641	8666	5820	19144	7864	9908	23374	17142	13389	25777	9763	6254	1416	9562	8165	8658	11426	12087	14371	10556	12117	5183	18225	9700	1575	9684	6000	Phytochemical	0.0	1.1428572	0.0
20	C14 H16	185.13248	185.13268	-0.03370355	185.13248	76429	93823	72384	64173	78177	51124	87287	98123	49582	58715	45546	61067	61257	60923	79814	126398	126961	59852	69293	72257	68448	103347	64009	97675	72925	52809	94491	48903	71442	87427	66381	99149	87996	80866	58496	76282	93979	65066	128627	57348	60602	64698	6774	1996	2233	51012	64000	2684	79526	76652	78427	82796	60734	3151	55034	54134	56469	123153	49911	65634	93588	33361	52572	40955	40865	65850	58856	123833	43032	61259	66114	71684	80135	91939	119759	98343	1586	55066	90681	82532	61862	42016	88591	59804	70958	55994	114489	63404	70666	231702	147007	106945	182860	66031	67313	3684	80081	73927	57469	81667	82876	109249	72573	78079	40660	94482	54869	2427	87027	53746	Phytochemical	0.0	1.1428572	0.0
16	C14 H16	185.13248	185.13269	-0.03041151	185.13248	47084	53943	33181	41904	33652	22499	50437	53820	26131	25667	22349	33228	26682	25287	37812	66887	74280	31744	43613	38238	38469	47432	40594	51886	36295	40373	48707	21789	34303	43224	44511	51410	54246	37431	28769	47171	39756	32137	87498	34507	42506	26631	2016	1420	1248	31093	38470	1859	52903	43787	43666	43979	33466	1778	28016	26192	25015	77923	22588	43777	48048	17549	31671	23725	21968	34611	36647	72760	37910	41054	46194	36976	38360	48912	68833	48064	1317	28562	51926	34032	38978	36463	60158	44602	43737	31352	53761	28655	33187	144872	56925	43410	75486	31645	47535	2037	45476	46483	34801	47903	56711	50567	31772	39901	22491	45102	33886	1305	45353	27026	Phytochemical	0.0	1.1428572	0.0
26	C14 H16	185.13248	185.1327	0.023891483	185.13248	32981	38292	35326	33530	27922	19578	35303	58190	22788	17766	24954	27989	21668	21947	54222	58220	44291	28728	42895	30720	27547	37984	27893	41549	48160	22735	32675	30831	47120	53631	40389	49925	48988	34756	26878	61462	48766	57371	57874	23713	27837	53730	0	0	0	26014	17483	0	51221	49518	41489	38349	29108	0	26076	21190	20927	71883	21000	20389	58567	15803	19384	17320	21915	29320	33420	58067	24066	24989	25723	30811	35065	60076	37392	53307	0	30741	37735	35246	29433	21942	24547	24854	25944	24672	62288	26299	29717	85858	58508	37507	75113	30681	30865	0	33112	34311	24653	31402	31542	64181	28298	39350	15353	38732	19322	0	50641	19583	Phytochemical	0.0	1.1428572	0.0
22	C14 H16	185.13248	185.13268	-0.050731543	185.13246	91813	111352	83861	89412	89632	63312	92558	119482	59894	71021	51407	74600	51113	61756	102342	175868	156107	70310	72395	75446	89837	139300	98763	125575	118091	56802	107355	50442	93775	102693	92589	108983	124148	101117	55381	112499	107092	94674	153266	53373	58568	83244	4578	0	1763	65374	77153	2943	107889	102126	95106	97201	72695	3042	61194	53020	59893	189649	52565	65656	176015	40462	58918	49129	51873	66157	75324	155580	38627	62549	55929	81568	75852	87703	105583	109513	1899	65092	130303	87052	91853	57393	85590	54975	74762	63494	160075	79171	86391	450253	155653	124661	343503	63992	104705	3561	83822	101698	67787	82611	77309	133649	75108	85152	53817	154385	67084	0	133818	60223	Phytochemical	0.0	1.1428572	0.0
10	C14 H16	185.13248	185.1327	-0.05082464	185.13246	9082	9558	6346	8156	5638	3442	5068	10994	4815	3587	3781	6806	3769	3213	9436	9419	9919	3846	6385	6212	6272	10982	5384	10399	6008	5488	7600	4224	7112	7864	6718	7095	9999	7642	7378	7500	6698	6979	11168	5355	7751	3424	1169	988	1321	7951	6126	1713	7867	6213	7938	5890	5175	1111	6079	4039	5729	15040	6306	7681	10002	2026	4423	3937	2576	3895	2773	10650	0	5289	8163	4507	7692	8055	8158	8557	1065	4484	10481	6198	11055	7561	8551	4644	6966	4405	10345	4280	3587	26065	10901	6690	8364	6043	6486	1319	7194	8450	4348	9808	8675	7942	8086	8881	0	9641	6295	1291	9254	3359	Phytochemical	0.0	1.1428572	0.0
22	C11 H20 O2	185.15361	185.15381	-0.00479094	185.15361	35778	40264	32788	37302	17196	27386	142328	22825	11837	42955	70660	15168	9480	97250	22608	15262	22569	6778	7562	7384	15235	9260	14845	11313	20316	20738	118642	111697	22912	20601	13439	25488	18998	15119	11900	28053	11634	26334	20010	20756	12080	26009	87436	37054	39446	19646	19941	33169	19000	20028	39283	26597	13444	58516	6429	16999	33026	14544	308762	20902	20435	262402	25515	10905	88411	25609	37453	25508	19065	14400	16138	18961	16180	21890	13362	19170	48070	18541	11519	281170	12099	34374	96205	81095	11460	28340	19600	15198	17113	16313	198230	153850	19089	40128	11709	39720	34293	42721	31179	7238	11193	20034	15426	14830	2448858	16713	9905	35702	15156	10472	Lipid	0.18181819	1.8181819	0.0
24	C11 H20 O2	185.15361	185.1538	-0.011789759	185.15361	40240	41331	48145	39634	11532	17910	91839	15876	11424	83653	93761	18631	10379	50404	22690	16004	23894	5788	12034	7942	31352	10700	15797	11438	12391	20336	72738	58743	15810	16937	12052	16716	13965	15497	17990	18495	14932	26377	28614	53431	27422	19914	55542	34735	38091	16705	31126	29928	19390	14056	43800	42820	14173	37824	8088	16402	21166	16641	578235	34301	19206	591802	18554	10952	56304	19805	33547	33019	15323	5206	24969	15375	17523	21658	17025	17572	42057	20187	15008	121517	17075	21541	41057	42674	11757	23515	22965	15203	15835	22680	52930	47429	21060	38325	10340	30466	40296	41251	15201	11879	14217	17366	17073	18155	2948572	19154	10854	35195	18401	9434	Lipid	0.18181819	1.8181819	0.0
28	C11 H20 O2	185.15361	185.15382	-0.008564447	185.15361	19518	19067	22878	19413	14400	18657	25258	24776	12364	12227	19546	18011	12091	20477	23572	24019	17891	15365	13023	14505	17110	10668	17432	31762	25074	19760	24734	358111	20622	18878	18053	20857	16751	23135	13208	20878	15910	25337	14897	11932	12854	18549	28591	29306	33064	18372	13688	23040	20020	22596	24806	21625	19157	30785	14251	15273	18456	30312	22232	23073	25973	19404	12807	13602	25049	13539	21542	14137	17883	15711	14733	20712	22050	22658	19315	21721	28992	22068	13358	458790	19395	17024	20934	19480	14828	18028	15145	17588	19738	10362	18449	19928	28683	32903	15347	27989	26183	23003	16859	11126	22668	18133	21517	16766	25705	28046	20902	29047	18403	10138	Lipid	0.18181819	1.8181819	0.0
16	C11 H20 O2	185.15361	185.15384	-0.042958267	185.1536	3388	5308	4638	6430	0	7507	68427	0	1180	1921	4063	1327	0	138921	1996	0	2673	0	10254	0	0	0	0	1662	1412	24927	83364	13697	1526	3014	1513	0	0	0	0	0	0	1980	3603	0	2436	8661	9432	5054	5892	2842	1778	5121	1610	1632	5435	4427	1305	6750	0	45998	46500	1578	2389	1955	0	2984	8000	0	160340	1469	39017	2198	4870	2426	1600	2198	2652	2171	1844	0	7897	1422	0	11324	0	3293	35088	158407	0	2112	2522	1416	6125	0	0	0	0	1591	0	5636	3331	7412	95606	0	0	0	1195	1761	0	0	1477	5627	1355	0	Lipid	0.18181819	1.8181819	0.0
8	C10 H20 O1 N2	185.16484	185.165	0.031984776	185.16484	1744	1127	1543	1168	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1241	1134	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	95227	0	0	0	0	0	0	0	0	0	0	191867	104806	0	5737	0	0	1860	1312	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.1	2.0	0.2
2	C10 H20 O1 N2	185.16484	185.16513	-0.072036125	185.16483	20157	20031	16970	18728	15827	14320	7896	17476	2346	13382	13626	5907	3898	6280	6614	45659	14693	7919	8930	7660	8041	19540	7268	23387	14171	1902	11340	122438	11872	11118	17794	13352	10536	10692	11229	11967	11453	6030	13735	7588	6583	7129	829	0	0	7584	7546	0	15317	8393	19193	18745	9197	0	2680	943	2982	29581	509	1451	49343	2887	2617	2311	3425	6753	7900	18625	1953	3877	5024	13735	12271	17507	22189	8513	0	5462	13317	464204	5205	3159	1922	4541	2138	4247	22043	6986	7219	75345	336832	184826	35712	61180	11118	0	19689	17521	2681	1538	1899	10104	5400	10205	3214	19102	5718	0	13760	3483	Unclassified	0.1	2.0	0.2
6	C10 H20 O1 N2	185.16484	185.16502	0.02464103	185.16484	3852	3669	2420	2307	0	2451	0	0	0	0	2003	0	0	0	0	0	0	0	0	0	0	0	0	0	481	0	632	17549	990	0	711	1453	1813	1124	0	933	2757	0	1220	0	0	5615	0	0	0	0	0	0	0	0	2569	2773	1153	0	0	0	591	0	0	0	0	0	0	0	691	1215	3110	0	0	0	0	0	850	0	0	965	0	0	0	55401	0	0	0	0	0	0	760	1430	3135	0	236161	137393	0	6544	1068	0	3313	2492	381	0	0	1449	0	0	0	0	0	0	628	0	Unclassified	0.1	2.0	0.2
4	C10 H20 O1 N2	185.16484	185.16512	-0.047925312	185.16483	8388	9142	7345	9036	9962	49223	2940	3259	479	3670	1766	1492	4144	34926	0	6519	3420	7649	25377	1312	6665	6105	2150	4493	2819	0	2978	27858	2811	2780	5848	4137	4894	4000	2189	2104	2729	1706	4948	862	666	44597	0	0	0	1203	1197	0	4019	1731	9394	7608	5490	0	645	550	19445	9758	0	0	5764	0	2575	680	40471	12063	73452	6777	0	0	0	2117	2862	2837	4895	3292	0	1387	3858	19424	2156	500	446	751	25669	34735	4974	47707	10989	12284	119374	57838	11563	4320	2638	0	5763	7767	2938	972	17282	2753	2151	1909	0	4410	22086	0	4825	1949	Unclassified	0.1	2.0	0.2
10	C10 H20 O1 N2	185.16484	185.1649	0.2512506	185.16489	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39749	0	0	0	0	0	0	0	0	0	0	80609	24847	0	2575	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1771	0	Unclassified	0.1	2.0	0.2
10	C7 H7 O3 N1 S1	186.02194	186.02213	0.02151576	186.02194	2133	1766	2006	1812	1363	3745	843	2640	883	0	0	0	0	1868	1365	4792	2929	3565	1919	0	0	1290	2037	3270	1677	0	1370	0	3650	4051	5266	3655	1939	3384	0	2058	2048	1254	2262	0	0	2738	0	0	0	0	0	0	3544	2917	1812	1306	1200	0	0	0	1006	6971	0	0	0	0	1097	0	2096	1802	1855	3331	0	0	0	2028	2025	1482	1651	3655	0	918	1995	0	1452	0	0	0	0	932	4323	1354	2339	4273	57509	7263	3455	0	0	0	1877	1688	0	0	0	1825	1177	0	0	5139	0	0	1557	2812	Peptide	0.42857143	1.0	0.14285715
10	C10 H7 O1 N3	186.0662	186.06638	0.02587111	186.0662	3365	4076	1791	2523	0	0	5221	8813	0	0	0	2378	0	0	1313	4404	7234	0	0	0	0	1815	0	11370	3926	0	2146	0	7143	3204	5428	8529	4816	6004	0	5667	4992	1692	10216	0	0	988	0	0	0	0	0	0	6401	6181	2632	3372	0	0	0	0	0	12139	0	0	0	0	0	0	0	0	1490	6664	0	0	0	5589	5706	3748	1854	8192	0	1769	2727	0	1961	0	0	0	0	0	3995	1977	2071	28830	3414	0	10753	0	0	0	2042	3467	0	0	0	3286	2808	0	0	11058	0	0	3424	0	Unclassified	0.1	0.7	0.3
0	C6 H12 O4 N1 Na1	186.07368	186.07404	-0.032311525	186.07367	9344	8697	7849	6258	23991	11623	0	16853	5184	1547	14520	2270	33426	5288	2139	4459	1075	30642	14948	1653	3235	10723	5021	13685	3146	0	0	1540	27004	5319	17888	14969	41125	86221	3523	9402	19412	1478	1649	2593	0	7978	0	0	0	5178	0	0	19325	3956	6232	6466	11520	0	8625	1020	0	17935	1688	0	8283	0	6391	10003	1232	31668	19526	975	0	0	0	88197	56259	7558	0	13218	0	5093	1061	1818	1635	0	0	0	1502	0	1509	34398	16135	1761	12828	8097	9804	1739	0	0	8090	5147	1966	1720	1157	10369	0	4586	0	16222	1108	0	1369	44314	A-Sugar	0.6666667	2.0	0.16666667
6	C8 H11 O4 N1	186.07608	186.07634	-0.081701145	186.07607	149846	186215	138615	160915	165777	237031	132407	191992	184148	40460	65670	120351	183984	172855	162135	184883	184532	296030	239678	45228	46462	113809	159529	188817	123463	18560	117247	61615	206251	170326	193071	225387	262755	261033	74030	189641	249760	158317	245850	29619	23890	178604	37711	45439	48827	81501	35005	38904	210853	144103	175231	167936	176352	44718	161141	104331	127238	214338	48091	38988	194383	18668	194042	107308	103573	247548	184266	237805	30211	34333	30133	211285	181863	174135	109082	162954	33358	107267	107622	62786	117399	72822	45669	27398	111655	138892	151033	210563	219939	227131	150192	108027	240942	40746	34621	46127	149583	156981	110440	94723	119400	235250	159862	56051	46878	191056	114587	43784	120163	271190	Lipid	0.5	1.375	0.125
2	C12 H11 O1 N1	186.09134	186.09163	-0.058279324	186.09132	5866	4614	4116	4891	1011	0	3070	8745	827	7259	5765	2797	426	2280	3132	25769	4536	1428	1583	3121	2889	1133	2530	10440	6374	959	4232	15456	13675	9879	10062	18279	9924	16209	2396	17303	11839	1959	3555	1628	1095	0	1849	295	355	2165	1093	369	11796	9095	4379	4874	1635	0	519	337	775	21854	281	413	18327	606	0	586	0	1287	3366	5984	0	2489	879	6971	12181	10086	14330	12588	330	3688	2961	0	2615	0	693	1091	537	1014	3313	5111	3792	5946	2058	0	10831	811	2356	436	4701	5271	694	529	462	12196	3182	1889	790	16479	346	457	3305	572	Phytochemical	0.083333336	0.9166667	0.083333336
2	C9 H15 O3 N1	186.11247	186.11276	-0.05517052	186.11246	29950	30589	24174	27735	46189	25911	12414	29603	30003	14691	12847	16142	44556	24496	13769	30126	24295	50520	41537	16995	16841	27029	13496	22650	12777	2717	14689	6141	36514	26226	33301	37292	46741	32825	20555	32318	41970	11809	30566	15389	8865	30720	4308	2269	2755	16581	12087	2485	42365	19978	25143	29072	42867	2785	25639	20150	16765	48972	9304	12914	27875	4417	45641	22631	17371	63031	43281	28240	3569	6932	4030	29414	38705	32151	17035	33855	2109	13367	11495	6052	8831	8375	9669	7283	16469	13892	14300	36533	46523	30172	19880	21486	30619	6747	11390	4072	26798	24990	24287	27560	21716	38431	16604	23808	8533	36407	29622	2325	10160	67394	Lipid	0.33333334	1.6666666	0.11111111
14	C9 H15 O3 N1	186.11247	186.11267	-0.021752737	186.11247	7574	7693	8472	8886	16936	7200	29723	6470	4888	0	3032	5793	5067	7599	8588	13784	9192	6239	6297	2055	0	6006	3690	7568	11532	0	29590	0	4382	4324	7938	11130	10257	13372	2497	7424	9762	6404	9670	0	0	6314	0	2749	2801	2952	0	3252	7426	7082	9077	8455	9669	3021	2916	3705	4942	16701	0	0	0	1238	4858	2345	8637	9118	7932	12457	0	0	0	6587	8654	6856	10820	10136	2740	5977	3608	0	5354	2504	4956	3737	4812	6156	8109	7729	8187	15424	6995	7924	16009	0	0	3760	9886	7310	6975	3735	6619	8565	7652	2932	0	12157	3552	3346	10850	6113	Lipid	0.33333334	1.6666666	0.11111111
6	C9 H15 O3 N1	186.11247	186.11273	-0.07116624	186.11246	85573	90483	80010	90299	61124	83159	89326	105623	42190	65039	36418	63163	73485	56443	62175	123601	143514	100842	69428	53492	55749	53388	46380	59936	43150	11303	98434	37141	145614	152349	180513	157086	200534	145064	89335	152897	209038	56318	155666	25497	38438	83302	14893	3229	2911	66830	96856	2474	192120	157270	88853	92144	58747	17792	55421	73444	52055	102758	36280	133476	93943	13841	86647	31781	100103	132932	65376	157195	16891	22341	29336	115219	164410	208550	134382	166563	2407	63140	30533	29788	32484	41882	49707	31756	34665	60669	56099	68839	62773	86977	59400	72123	83126	25548	88604	4524	91782	83145	64736	27131	61146	159784	69667	60353	24243	83444	62661	3213	38799	157588	Lipid	0.33333334	1.6666666	0.11111111
12	C9 H15 O3 N1	186.11247	186.1127	-0.016765328	186.11247	38585	51770	47605	53292	48874	46553	29606	25260	32732	16048	13836	15976	36638	63705	30039	92193	27915	54072	44524	15835	12626	28430	21812	50251	44335	1026	41065	15719	49119	45662	33725	79071	52109	60471	15594	50065	70677	22537	31708	6351	4430	91382	4747	3185	3148	12335	9550	3025	69257	25439	48170	50613	46031	4180	44553	14674	70751	92409	5699	10390	84314	2848	33155	36783	28125	55394	98096	24841	0	4555	1631	37072	44213	45813	59608	46889	2203	22673	12199	18138	11547	11560	10564	3914	16671	25880	36451	36526	41942	43019	73148	41760	70305	5872	16831	3288	48457	53354	26243	15266	16723	79238	20302	20350	0	51499	28181	2977	23373	43608	Lipid	0.33333334	1.6666666	0.11111111
8	C9 H15 O3 N1	186.11247	186.11272	-0.061094254	186.11246	50066	48245	30461	45717	39759	29864	44242	49656	24794	22341	15970	36052	36168	82735	38099	88421	67128	43764	42456	24561	23546	35755	37254	131162	44512	6251	43368	21892	61913	49065	47575	66857	61446	54725	34153	64003	69372	31717	80946	16014	17713	39558	4227	2497	3067	41665	33275	2372	57302	50784	46840	47960	38232	4810	28887	14364	27066	86025	14970	26037	75813	9080	27922	20631	44797	46517	48539	67157	9108	12082	6212	46767	57793	72963	53340	66069	2370	29760	39383	42342	27805	24087	27709	35467	18771	25115	105284	42801	44383	99880	43086	38805	66922	14243	22265	3628	48629	45320	30506	16914	20669	56904	37065	30134	11281	50851	37205	2827	45315	43490	Lipid	0.33333334	1.6666666	0.11111111
0	C9 H15 O3 N1	186.11247	186.1128	-0.14516215	186.11244	25779	27605	21297	19819	62135	76940	8209	61369	45589	17327	5734	15677	68371	51598	14202	18730	14643	92526	78030	25261	56486	43893	20699	38535	22538	3453	3984	6460	105014	20891	82086	48851	148284	59415	43714	48418	54127	14498	20160	27501	6020	49733	8982	2604	3172	29327	5886	2045	61235	22550	24610	24393	84894	2970	46541	18671	11984	117595	20323	8025	32989	5126	78476	44944	20820	54233	97127	17110	2930	18146	4219	47050	65066	46127	5371	50723	2126	29229	9722	4985	7041	5329	9423	3440	20920	15085	13869	42565	81406	23776	36797	46538	33039	6318	8597	3644	23880	23748	18943	25267	19413	43507	20122	28598	6606	67398	31621	2377	9306	119335	Lipid	0.33333334	1.6666666	0.11111111
2	C8 H15 O2 N3	186.1237	186.124	-0.10170749	186.12369	16396	16596	18178	18990	29121	58778	3440	7575	17019	5860	5335	3446	42840	14395	4743	30567	14222	54661	45179	7546	7612	27734	8490	20535	12757	0	3013	8732	6059	5282	7301	8525	17592	6721	8477	7374	13501	3869	16294	10781	13809	15404	0	0	0	6026	6527	0	10171	2755	15598	18817	25927	0	23134	8947	5787	29629	1630	3362	20907	5648	40080	16145	6030	38736	23555	23195	924	2428	2409	4588	4151	2708	18047	5352	0	2981	10454	22195	7299	2703	2324	3731	9236	8474	15971	14567	21715	76683	18632	13339	70328	14012	8890	0	16946	12773	9684	11098	9666	14740	3878	7886	2315	37004	12702	0	10817	87285	Peptide	0.25	1.875	0.375
6	C10 H19 O2 N1	186.14885	186.14911	-0.052706268	186.14885	12362	12908	11128	13579	16286	9568	8797	8285	9790	9513	5152	4905	18017	6288	6342	13604	8708	14489	17428	9214	10245	13139	5220	9084	7233	1051	7946	4563	8591	8097	8942	10179	19172	10264	13155	6912	16469	6058	16659	5330	7304	6667	731	363	330	5777	6851	332	13015	5745	12881	11521	11642	398	8327	7599	5125	21590	1428	5855	11541	3258	20340	8821	3500	18321	9804	16444	0	2754	0	6155	8448	5299	7687	9101	317	3864	11807	3219	5692	4668	4758	3760	7149	6947	17082	12017	7740	27980	10015	11043	20275	4616	8096	450	13756	8309	7401	10981	10984	17186	5588	9194	0	14530	9812	368	8557	24042	Lipid	0.2	1.9	0.1
4	C10 H19 O2 N1	186.14885	186.14915	-0.04273122	186.14885	20617	24067	20700	23124	211106	56339	9910	14382	35112	12338	6344	8606	115987	32945	8566	33281	28818	38472	52520	11992	14115	28461	10356	15576	9091	1875	10230	6188	14760	11543	14442	17174	25527	16059	23309	12931	24962	9872	41687	10760	12179	18274	1203	345	263	19879	36112	531	15391	11318	22434	17595	63717	557	20563	16071	10934	39252	2535	7911	24395	5445	67155	21057	6898	114285	51421	35745	2220	5579	5081	10935	22908	12310	15557	23455	308	6941	14269	4611	6768	10751	5224	5941	10948	10254	26309	20050	23515	66918	18070	16336	42745	6330	8973	787	19851	19791	26554	42853	35089	19973	9568	10953	18989	29566	29883	542	9536	65982	Lipid	0.2	1.9	0.1
2	C10 H19 O2 N1	186.14885	186.14915	-0.09148516	186.14883	123852	126361	105452	113801	276530	113568	125997	101411	54131	73364	35632	89396	553973	201901	57859	224221	94010	105047	135716	95030	68518	158505	36580	54597	74753	3757	83134	29786	162458	118597	232004	99311	121262	71111	83974	95030	112788	55664	99268	51795	43845	98952	14712	405	329	32074	30158	491	127748	49512	102845	114299	187130	732	58629	87989	85665	184927	8132	17500	231229	19837	114039	47740	50319	453039	175141	131870	5448	20086	11144	90762	92650	69216	114926	131102	285	86430	116900	180752	21775	14726	22750	31010	36733	75366	858014	62152	77792	902328	523078	200023	141640	43371	124806	1524	112809	116711	128396	34852	48227	97524	80970	61876	16780	96947	309126	591	55403	344618	Lipid	0.2	1.9	0.1
8	C10 H19 O2 N1	186.14885	186.1491	-0.057162616	186.14885	5670	9153	6652	5915	8238	3819	5029	4760	4519	4137	2413	3203	9065	1863	4520	19449	6164	6175	7978	5005	4684	9513	8238	12015	12596	0	4864	2419	3615	3246	2987	4239	7194	5407	6332	3699	5826	5029	9673	1502	2470	3928	1224	916	1280	6708	5691	891	5607	2585	5230	7797	5725	977	4348	3533	3360	25058	0	2878	16074	0	8582	3479	2570	9313	5048	8311	0	0	0	3479	3098	1727	4441	3680	997	2926	16162	0	9213	3848	1389	1123	2806	0	31411	7904	6307	26705	0	0	22816	2356	2803	820	5985	4734	4695	7806	6122	6202	3270	3224	0	14926	4940	658	15642	8694	Lipid	0.2	1.9	0.1
10	C10 H19 O2 N1	186.14885	186.14908	-0.0545771	186.14885	16886	16783	13046	18949	8391	6345	9055	22667	0	35953	5693	4200	2755	146783	1625	21881	4288	4644	1874	37085	12997	10316	2952	110006	3749	2542	31329	76423	12947	23888	6156	8117	7837	13707	5115	15467	10641	2231	5188	11454	3649	6035	4115	2964	4661	33232	4296	2995	34777	22599	12789	16980	5393	6291	0	3080	2142	38445	2973	6649	267703	3204	91434	0	24326	5768	20273	8885	18023	77712	24877	16410	8768	17660	7937	12375	4810	2582	2893	36125	2707	10938	1329	1370	1040	3123	6862	13395	2210	6144	20470	7444	18073	1752	11569	3280	15291	20221	2825	1273	1671	10253	2441	35876	0	5705	1795	3245	4501	39962	Lipid	0.2	1.9	0.1
2	C9 H19 O1 N3	186.1601	186.16035	-0.1641604	186.16006	1970	2075	2295	2975	0	0	934	1803	0	1303	0	748	820	0	1038	38848	2345	1335	1186	993	942	13494	1603	37380	11601	0	3155	0	1535	1758	465	1787	2313	0	1567	1090	2693	821	2987	853	638	0	0	0	0	1035	430	0	2568	1187	3009	2600	668	0	0	0	459	10213	0	0	37874	230	621	0	0	0	1095	3909	0	438	0	1005	1002	1058	8480	1217	0	489	4313	0	2470	0	0	760	0	550	4761	1669	1062	24165	2381	1681	40552	535	3672	0	2699	2876	0	0	0	3734	583	2280	0	10264	0	0	5782	2754	Unclassified	0.11111111	2.1111112	0.33333334
22	C11 H23 O1 N1	186.18524	186.18546	-0.005137954	186.18524	5719	5070	3304	4066	1823	1452	0	0	0	9525	32710	1087	0	0	0	0	4406	0	0	2299	2553	1521	1179	0	0	0	1151	75287	0	2104	0	0	2756	0	6201	1573	2124	0	5263	4087	6797	7419	3014	0	2551	2628	8011	0	0	0	4057	6375	3054	8039	0	0	1116	0	13852	5478	0	3411	0	0	1770	2084	1918	5109	1818	3643	2919	0	0	1239	0	2314	2563	0	0	127098	0	262734	16687	11507	0	1957	0	5079	1300	2122	17955	5694	2116	14947	0	3693	2904	4659	0	0	0	2342	0	3523	98727	2227	0	0	0	0	Lipid	0.09090909	2.090909	0.09090909
4	C11 H23 O1 N1	186.18524	186.18555	-0.003326451	186.18524	4175	4568	4163	5075	2105	1588	7880	7609	1225	4426	2248	4381	2112	3427	1320	4479	4068	1867	2244	3571	3487	2513	1287	1164	2225	1546	8963	0	8019	0	10552	5056	15024	5051	4369	6420	15023	1777	4173	1891	1813	1655	0	744	936	1233	1801	947	5254	9633	3639	3903	2280	1088	1464	1121	1405	4192	657	0	3857	1316	1658	1108	1457	2126	2278	5523	1356	2021	0	8920	18276	20622	8001	14449	919	3326	1783	0	1275	806	658	2611	1438	2068	1779	1199	2141	1342	6657	2335	1973	1605	3025	1183	5353	4222	2209	0	971	11564	3044	2252	0	2641	1691	1177	2078	1491	Lipid	0.09090909	2.090909	0.09090909
0	C11 H23 O1 N1	186.18524	186.18556	-0.18425538	186.18521	0	0	0	0	0	0	1368	0	988	2403	1498	0	0	34495	0	0	1222	0	981	2013	1859	0	0	0	0	1223	0	1872	1181	0	0	0	1099	0	1489	0	0	0	1240	0	0	1095	0	869	829	0	0	514	0	0	0	0	1416	1130	934	891	0	0	1100	719	9269	997	5273	0	11723	0	4512	1326	2204	3713	1300	0	0	0	0	0	1071	0	0	3057	0	1287	0	0	804	1398	853	0	1553	0	0	0	0	0	2565	1470	0	0	824	549	0	0	0	0	0	0	797	498	0	1767	Lipid	0.09090909	2.090909	0.09090909
10	C11 H23 O1 N1	186.18524	186.18546	-0.08070167	186.18523	0	0	0	0	0	2084	0	1322	0	0	0	0	0	0	0	0	0	0	1941	0	0	0	0	0	0	0	0	0	1849	19783	1491	1394	0	1563	0	0	0	856	0	0	0	2009	707	1076	1230	0	0	903	0	1569	0	1382	2055	1067	0	0	795	0	0	0	0	0	0	0	0	0	1353	0	0	0	0	1147	21333	20416	0	24285	1065	0	0	0	0	0	0	0	0	754	0	0	909	0	0	0	0	0	0	674	0	0	0	0	0	1319	0	0	0	0	0	827	0	0	Lipid	0.09090909	2.090909	0.09090909
8	C11 H23 O1 N1	186.18524	186.18546	-0.003466646	186.18524	3969	4498	2941	2885	661	0	15673	7504	0	0	0	7748	0	0	1492	3429	6574	0	0	0	0	0	0	0	1679	0	20914	0	11108	36217	20981	15326	27695	13889	0	20668	33786	1948	6816	0	0	979	835	819	948	0	0	788	8161	16110	4545	3999	0	998	0	695	598	2273	0	0	0	0	0	0	0	875	760	4683	0	0	0	26208	38737	49814	11254	31875	944	8228	0	0	0	443	0	0	0	0	880	0	833	0	0	0	0	0	0	924	3802	3012	0	0	0	19544	7001	0	0	1781	0	725	0	0	Lipid	0.09090909	2.090909	0.09090909
2	C11 H23 O1 N1	186.18524	186.18553	-0.033967648	186.18524	7701	6583	6062	5278	2086	0	33381	14797	905	7835	4193	6840	2300	9727	3317	6578	5028	2173	4391	4596	3611	2372	1172	1885	2587	1539	34291	4024	11729	33624	19056	10314	23646	7053	4212	13378	29969	2618	4887	2317	1909	0	698	647	722	1209	1693	598	8609	13429	5592	5109	1877	1082	1297	1558	1340	4257	577	471	13015	1448	5107	1478	0	2709	4603	3730	2558	2443	962	13636	26994	35446	8822	29053	848	8636	1389	0	942	1134	809	1592	2302	2379	1855	835	2545	2095	4490	3897	1938	1459	4066	1073	5661	6508	1828	731	1173	23546	5301	2499	1371	2707	1845	848	2183	2463	Lipid	0.09090909	2.090909	0.09090909
24	C11 H23 O1 N1	186.18524	186.18542	0.006038351	186.18524	10286	10950	9021	10758	2796	5037	2041	4671	1153	19192	49876	3426	0	1685	3893	1810	9151	0	0	5551	8186	4157	0	3433	1780	5748	2595	124712	3771	6097	4932	3058	8656	3129	5734	5162	7863	2113	11016	4611	13398	24958	11226	7686	13340	8844	30883	7819	3219	5397	11533	10596	4924	19868	0	1568	2991	2982	16109	17667	2010	9837	1894	5236	4659	2969	2193	14777	8474	4440	8570	2259	5310	9560	3966	5193	9450	5995	2284	114258	2444	461786	21706	10716	1416	5302	1729	4735	3329	6018	29088	18074	7160	22330	5667	8837	10019	10377	2716	0	5317	6044	3903	15918	263711	8694	1882	6859	2100	2482	Lipid	0.09090909	2.090909	0.09090909
20	C11 H23 O1 N1	186.18524	186.1854	-0.05018944	186.18523	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	594	1084	1474	0	0	1103	0	0	0	0	0	1493	0	1144	2695	1525	0	0	0	0	0	0	35047	0	0	0	0	0	0	0	0	0	0	0	1673	0	0	0	0	0	0	0	6023	22327	0	0	0	0	0	0	0	0	0	1019	0	0	1520	0	10115	0	0	0	0	0	13848	1792	0	0	Lipid	0.09090909	2.090909	0.09090909
8	C8 H10 O3 S1	187.04234	187.04259	0.041470353	187.04234	1566	2110	1329	2309	2441	2141	1032	1007	0	0	0	898	1980	2158	1036	2212	1854	2747	2541	0	0	0	845	0	0	0	1194	0	0	1696	1647	1524	1615	0	0	1202	1115	872	1686	0	0	1635	0	267	319	0	0	361	0	1733	983	1610	2723	0	1359	1028	951	1963	0	0	0	0	1737	1140	0	1282	2402	1350	0	0	0	0	1142	969	923	783	253	1043	0	0	0	750	751	0	1999	0	1133	2070	3101	0	27802	46399	0	0	0	0	1481	2148	2151	1471	0	0	2076	0	0	1516	0	0	732	1822	Organosulfur	0.375	1.25	0.0
0	C5 H11 O2 N2 S1 Na1	187.05116	187.0515	-0.053808097	187.05116	0	0	0	0	2162	0	0	4012	15094	0	0	0	2768	5253	2250	2607	4247	0	7288	0	948	5817	8266	2575	7457	0	0	0	6738	0	4268	1590	11685	0	870	0	0	4203	6960	0	0	1355	0	0	0	0	0	0	1849	1593	0	0	3486	0	20392	9318	0	5534	603	0	0	0	6727	1385	4145	2181	7898	2871	0	0	0	0	0	0	0	1737	0	1236	10462	1274	7486	0	0	0	15558	0	11170	0	2709	7808	0	0	8337	0	0	0	0	0	7729	10550	3560	0	2125	0	0	4377	9761	0	5718	5158	Peptide	0.4	2.2	0.4
6	C7 H10 O2 N2 S1	187.05357	187.0538	-0.04284942	187.05357	11944	12960	11814	9822	578	4561	16588	25353	433	0	2274	13193	643	2216	10651	23098	0	5714	3787	976	1289	1774	4965	6080	7246	0	21477	3011	37528	43049	37307	40937	35742	48822	1238	45948	41087	10992	46827	0	0	14647	0	0	0	0	0	0	46077	28257	11131	13564	3170	0	0	0	1721	29036	0	0	29343	0	0	0	1377	1625	12450	40406	0	1491	0	27094	31145	34975	43985	35548	0	14946	2226	0	1488	765	338	0	736	2422	5981	6713	10055	14008	0	0	5767	0	0	0	11243	10268	0	616	723	36854	15520	0	0	17735	1131	0	6074	731	Peptide	0.2857143	1.4285715	0.2857143
8	C8 H10 O5	187.0601	187.06035	-0.04844277	187.06009	57698	71261	36638	59568	117564	115065	31830	54388	112998	26921	37492	34322	253366	142267	53748	45081	35158	148081	147860	38031	28418	44304	71845	53886	41512	11034	28604	32981	59484	45865	54923	55795	66289	75089	60040	45864	63222	44171	39275	19420	11700	80143	21319	16065	30497	38658	16847	23670	46377	35844	55227	55358	91340	27308	104577	67992	60805	50166	17287	11232	48184	8134	178410	81648	55309	182614	93880	41158	14741	18249	11152	81645	62782	55577	24648	54457	19468	39039	49881	38860	44922	24169	18764	14552	70275	60367	51387	67142	103772	29087	65129	65501	55626	26554	19801	26561	55504	69782	79702	76176	73483	60012	46803	22478	13630	58290	64068	19822	35518	186097	Phytochemical	0.625	1.25	0.0
2	C7 H10 O4 N2	187.07133	187.07162	-0.05537442	187.07132	4988	4392	3101	4692	9358	0	2028	4685	4885	1294	2017	3298	8045	6007	3011	1866	3433	10138	9400	1291	1801	5103	3256	5456	2648	379	0	7595	5724	2768	5729	7007	7487	5221	5488	4223	4640	2763	3849	1168	914	5409	1181	633	722	2315	1458	1034	5149	3076	5102	4313	7107	1367	5689	4229	3327	7296	1291	1283	2419	631	9713	4407	3797	9928	5335	4903	0	1339	752	4312	4949	3479	427	4442	725	2108	3583	35161	4143	1770	1189	430	4463	3405	3713	9010	7591	5089	11481	5460	9148	6184	876	1484	4456	6579	4485	2715	5132	4684	3421	1654	1216	5522	3859	696	2527	11565	Peptide	0.5714286	1.4285715	0.2857143
0	C7 H10 O4 N2	187.07133	187.07162	-0.17326075	187.0713	2740	3309	4461	2691	10528	28526	0	8547	6077	1053	0	1787	20144	13039	2033	0	2785	10766	12232	0	4307	6684	5204	4756	5744	753	0	3335	23683	2133	12035	4500	31518	4701	4771	3380	4895	2427	3507	1506	0	4751	0	572	631	2432	0	569	4668	0	3814	2378	14908	1122	7005	2925	1693	9983	1160	864	0	0	29613	4980	2638	9631	21643	2696	701	1931	0	4304	5258	4612	0	3614	515	3358	3456	11026	2730	937	0	0	4152	2513	5406	5398	11218	3287	18212	5969	6768	1530	0	1083	2507	2941	2589	2205	2547	2189	3984	0	815	9163	2792	618	2737	38229	Peptide	0.5714286	1.4285715	0.2857143
6	C7 H10 O4 N2	187.07133	187.07158	-0.014674086	187.07133	2872	3656	1763	3233	7190	4441	2343	3077	4614	0	960	1802	3168	3389	2805	3385	4801	6169	5674	0	0	1329	2895	3349	1585	0	1272	5331	3597	1884	1864	3376	3858	3078	1500	2881	5284	2663	4593	0	0	5261	0	681	577	0	0	609	2194	972	4503	2787	5181	988	3969	2300	3996	3993	859	724	3923	0	4177	2220	2210	3390	3852	6589	0	0	0	1590	2073	1843	3163	1963	577	1979	1823	10819	1892	1204	1045	0	2227	2292	1812	4248	4917	5748	12733	6812	4099	2099	0	868	4297	4454	3423	2432	2607	4480	3496	0	0	3539	20252	581	1966	5538	Peptide	0.5714286	1.4285715	0.2857143
10	C12 H10 O2	187.07536	187.07559	-0.033150908	187.07535	65997	62479	59077	54805	56766	45451	43305	59949	62454	52123	43128	48867	61078	38535	49951	63619	72397	77104	72952	57041	63463	61196	46291	59535	42994	33403	50231	33508	60646	63422	50306	64033	190229	46936	70646	56574	103980	46861	81754	53230	51913	46364	13249	10166	12390	41140	37090	14966	70799	48553	58087	64730	55727	8909	71257	44461	38493	80048	44743	47765	66494	27150	53927	52359	33671	63062	43238	77598	39218	45021	49957	42470	47950	51788	90523	61722	10151	42036	58806	28787	55025	43294	47468	29389	58201	44892	62632	45245	55445	74872	46871	51138	61971	39618	46777	14734	58476	65866	54038	62507	64808	185793	53608	47250	24341	42870	43310	11374	45524	59963	Phytochemical	0.16666667	0.8333333	0.0
12	C12 H10 O2	187.07536	187.0756	-0.02155384	187.07535	67838	91552	84178	69832	71571	49968	78302	79844	72468	68663	55413	51877	68249	45651	68832	100796	77547	98249	108472	82976	79948	97729	63251	84919	64242	38212	80924	42772	92918	74437	79649	87775	128841	75824	112034	75233	95666	65162	85206	67354	45887	64141	12041	11302	12051	52676	49552	15415	95960	67075	94399	86746	66802	9569	88845	51784	62058	108130	53378	48667	94736	37121	92235	72454	50383	80707	65176	69302	41677	56937	65501	55730	70919	73414	78066	92817	8221	59648	70124	53702	67806	56389	59468	40460	67099	53430	87846	58281	71125	104112	71233	67177	87360	44820	66169	14184	78013	82770	62001	72178	72678	114407	68541	57722	23930	78896	58931	11106	62568	79534	Phytochemical	0.16666667	0.8333333	0.0
14	C12 H10 O2	187.07536	187.07559	-0.024840048	187.07535	86693	96871	75434	83429	84671	70464	71271	80482	94853	77240	57806	64541	87964	64017	81797	83922	82542	114571	104076	88444	90147	101447	77289	74936	69149	45381	72001	58962	95445	86366	80269	85512	235890	73268	103154	89348	124474	67670	96587	79618	71066	78402	13028	11566	11522	63683	48811	15859	91601	62899	83014	77523	88130	10947	109612	70231	73719	122153	57807	54899	95811	37878	95716	82737	53013	107432	81367	78643	43333	67597	60480	62883	81520	89360	75228	92392	9565	70137	82052	45104	70001	61982	59789	47501	79387	61583	106726	65669	93471	100110	93352	60123	97344	43042	65486	18526	88202	87467	81024	91013	90368	207772	75345	77736	33799	75902	66262	12329	63166	82210	Phytochemical	0.16666667	0.8333333	0.0
16	C12 H10 O2	187.07536	187.07558	-0.032918576	187.07535	81907	102198	67249	84932	109685	83852	73539	91693	102284	68934	54390	69144	97026	78782	86354	100960	93597	139145	137676	82110	71253	93245	79520	85188	75421	47182	68345	57067	82625	84234	93423	105108	123025	71875	97955	82493	111856	65035	102209	66256	49371	85587	18372	12848	17093	60604	48543	20103	101674	75911	80681	92779	110962	16282	91546	72502	75940	119164	58382	46322	90479	36980	91272	78002	56845	137957	108142	92496	42924	65308	61907	68854	89490	90025	82763	104555	12602	52558	83474	60902	64887	53697	51901	47469	91388	67349	109010	84770	104668	106060	79806	77134	98544	53594	64789	21855	84996	86288	84138	82947	91041	104152	74646	65393	31037	90673	69875	14784	80906	105925	Phytochemical	0.16666667	0.8333333	0.0
0	C9 H11 O1 N2 Na1	187.08418	187.08446	-0.36140588	187.08412	4126	4928	4357	3035	0	0	0	0	0	0	0	2467	0	0	1344	0	0	0	1139	0	0	2082	0	0	0	0	0	0	0	1993	0	0	0	0	0	0	1432	0	0	0	0	0	0	0	0	0	0	0	0	4734	4636	3678	0	0	0	0	0	2182	0	0	0	0	0	0	0	0	0	1305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2504	0	2892	0	1232	21534	0	0	0	4047	4871	0	0	0	2231	0	0	0	2381	0	0	0	0	Unclassified	0.11111111	1.2222222	0.22222222
4	C11 H10 O1 N2	187.0866	187.08687	-0.050983764	187.08658	6621	8959	7523	5712	2734	2806	5363	10865	1742	6087	6652	5395	1841	1984	7281	18985	12714	7853	9056	3364	4008	9884	6711	15193	7108	964	6391	19743	7752	9211	6651	9568	6822	9724	5323	11402	7435	8881	15550	1944	2664	6594	0	291	0	4406	2796	0	9962	6978	8452	6477	5010	3192	2678	1139	2933	12671	0	1250	16774	1123	1627	2282	4011	2855	4165	12561	855	1261	0	8312	7339	12002	12973	12340	0	5951	10861	30949	5352	1127	1228	1317	4314	5799	12978	8885	7183	37499	9767	5757	29761	6122	4843	429	6035	7747	5999	1294	0	8804	4750	1634	0	13802	4682	0	9787	2094	Unclassified	0.09090909	0.90909094	0.18181819
2	C11 H10 O1 N2	187.0866	187.08688	-0.076656245	187.08658	6208	6919	4567	5298	3048	0	6491	9256	1730	10912	12670	3336	1779	4216	4016	8279	9995	8286	10280	6229	6552	5064	4178	13377	6680	454	5828	33423	9261	6653	8151	9608	9260	10045	6213	7544	6077	4640	11233	2380	1913	4472	0	0	0	3343	2060	0	12210	5704	6101	6219	4311	0	1835	868	2309	13816	852	1032	11279	856	1677	1882	2663	3766	6245	11814	0	2112	703	7918	10344	7787	9754	8184	0	3631	4666	8530	4136	1993	1421	2383	3224	3079	5909	9005	6928	11225	5009	3386	16401	2944	4950	0	6902	5389	1291	1361	1451	7771	3385	4082	1355	9178	1381	0	9385	1995	Unclassified	0.09090909	0.90909094	0.18181819
12	C11 H10 O1 N2	187.0866	187.0868	0.099342234	187.08661	5484	3053	3590	1425	0	1283	7362	2948	0	0	0	1073	0	1030	1390	15785	8547	0	3412	1667	0	5300	0	12952	2530	0	4119	0	2564	5102	2909	6883	3703	9893	0	5330	5901	0	7134	0	0	2654	0	0	0	3105	0	0	5664	1423	5621	3291	948	425	0	0	1214	6110	0	0	0	0	0	0	0	0	0	7780	0	0	0	5947	5571	3075	13281	4773	0	1611	0	0	2646	0	799	0	0	932	2856	4538	3524	25247	0	0	12081	0	0	417	3045	3244	0	0	0	6787	2931	2576	0	11195	0	0	6654	0	Unclassified	0.09090909	0.90909094	0.18181819
2	C8 H14 O1 N2 S1	187.08997	187.09027	-0.10669184	187.08994	1902	2173	0	1804	0	0	1005	609	0	377	0	810	0	0	993	28575	3187	0	400	0	0	0	1777	4856	1428	0	22430	0	4176	56903	1065	16219	1277	5277	0	9232	2577	901	3213	0	0	0	0	0	0	0	273	0	46837	435	1067	1421	0	0	0	0	0	1333	0	0	30175	0	445	0	0	561	0	2991	0	0	0	1101	8769	11973	1278459	6798	0	309	904	0	1312	0	0	0	0	310	737	0	0	1737	0	0	0	0	567	0	1060	0	0	0	0	21937	802	203	0	760	246	0	1198	0	Peptide	0.125	1.75	0.25
4	C7 H15 O4 Na1	187.09409	187.0944	0.06272332	187.09409	8588	10165	10861	11330	1860	318	0	0	0	86186	97527	0	927	21790	328	1089	0	0	0	1268	34688	1607	0	371	0	0	1201	7529	0	1208	0	0	0	0	16068	0	526	0	0	29323	20707	2003	39199	247	0	6495	26191	2032	0	0	9472	10462	1029	2808	321	0	6616	344	54391	3057	607	87025	2268	209	12833	42010	11489	0	0	1402	5525	747	0	0	21634	0	0	0	0	3777	0	567	561	5099	0	4907	0	1385	0	0	2788	20242	492	102111	113611	1468	10292	6825	1252	415	1189	0	0	4785	292198	1706	1417	2168	0	365	Lipid	0.5714286	2.142857	0.0
6	C9 H14 O4	187.09648	187.09676	-0.075914554	187.09647	75319	86757	76458	84565	92427	63867	163342	87326	51852	45380	53305	50479	114485	560639	64411	86400	93742	132517	133333	54798	40745	34215	55902	52616	44430	117035	145541	46346	108057	89698	71469	97144	86156	105565	33862	109744	85743	56209	111433	16304	56399	95620	78397	8762	10248	53986	52017	8703	88776	75106	82721	81091	77009	17275	65593	76352	49838	93363	28706	66747	145924	28332	223411	45715	262805	129134	244227	88127	70483	93040	80666	69437	94467	124666	63501	96307	7794	44299	34161	54575	31070	51766	187496	573326	77359	104089	63453	64148	92022	68130	31493	38461	55471	26704	26899	20907	74823	88482	64411	72472	108686	97927	47588	55649	27166	59066	65803	9013	38931	102933	Lipid	0.44444445	1.5555556	0.0
10	C9 H14 O4	187.09648	187.09673	-0.05590174	187.09648	156827	140634	147321	124598	193522	220089	302072	209801	102882	46462	79991	112692	205864	953581	173202	171714	181452	199249	177957	62385	44274	49281	158771	94951	184582	92912	207894	196472	290736	211776	212921	262742	267757	279999	55326	267064	261881	162963	177164	29731	33810	180338	186621	61311	46888	52776	25754	59871	195821	177913	156935	152137	170404	97661	102224	95378	101050	246103	42581	44980	209587	20432	169865	92550	413817	406655	452878	164233	38197	61343	34248	228431	242999	290942	149819	240531	36740	111520	101494	227724	103010	83027	362957	351624	126089	150636	193736	182495	172631	75321	86835	55221	90460	51749	35253	77047	138822	182286	152186	105172	140560	224618	114198	42158	23862	139761	103571	63862	123004	154128	Lipid	0.44444445	1.5555556	0.0
16	C9 H14 O4	187.09648	187.09671	-0.04356586	187.09648	25885	27746	25838	29715	30751	32816	45149	27847	32757	9655	17707	17877	40179	61269	46192	26442	17977	32858	33919	10872	6916	10440	34388	18281	38541	9986	42202	212734	33850	34918	37071	36905	39037	28123	8723	33030	36579	38579	27393	2710	6399	26490	34301	23620	23103	10052	7559	26509	31498	28549	26510	26062	31479	21167	37062	28911	34477	38416	15936	12823	29286	7912	34441	26812	45571	48696	44942	20070	5011	9093	6542	26324	35489	36882	21531	33704	22039	25753	25206	35895	16540	15275	65179	38540	32243	30814	30770	20904	33351	0	17102	20699	0	12989	9095	24521	27971	28964	30576	31195	39376	33389	28853	13460	10970	35452	35203	24611	30325	34381	Lipid	0.44444445	1.5555556	0.0
14	C8 H14 O3 N2	187.10771	187.10782	-0.041818023	187.10771	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15321	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	640	463	0	0	743	0	0	0	0	0	254	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	394	0	0	17702	0	0	0	0	0	0	0	0	0	0	72134	19466	0	0	0	725	0	0	0	0	0	0	0	0	0	0	0	380	0	0	Peptide	0.375	1.75	0.25
18	C8 H14 O3 N2	187.10771	187.10777	-0.09331326	187.1077	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6632	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	471	670	0	0	735	0	0	0	0	0	420	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	626	0	0	6401	0	0	0	0	0	0	0	0	0	0	24269	6335	0	0	0	853	0	0	0	0	0	0	0	0	0	0	0	466	0	0	Peptide	0.375	1.75	0.25
6	C8 H14 O3 N2	187.10771	187.10797	-0.08337537	187.1077	30117	34306	28819	26471	11997	24740	12635	25153	12920	4796	12976	14805	8321	15577	24244	39218	47682	19426	18581	4199	3773	18739	16979	22635	16531	568	13006	112608	18658	16907	23885	23658	23342	22414	6255	19310	28265	14716	51387	2794	3556	17662	710	582	370	9814	7086	474	23716	25662	33717	30712	12686	792	14001	9266	8609	33890	5100	5138	29445	1822	10091	9596	7644	15082	14690	56110	0	1890	0	22814	18493	19752	14657	19657	384	12691	16522	452608	12861	6047	6745	1126	6446	12610	26207	16745	15320	54164	807118	284609	35633	55067	10899	645	30574	26241	6920	7300	9640	26116	15729	6229	0	27672	9394	494	15785	13615	Peptide	0.375	1.75	0.25
8	C8 H14 O3 N2	187.10771	187.10796	-0.035702445	187.10771	35922	42072	33781	36711	18458	104461	13870	27605	27122	5344	11957	12639	16932	15932	36586	44711	32599	93202	50208	3398	2186	9136	24516	15666	28377	0	17873	68432	47894	31796	42401	48477	51382	48107	7473	33978	46076	28582	37268	1162	1248	294037	452	534	643	3182	0	338	39830	24172	29358	33624	29007	651	51559	7610	156127	55049	3729	1659	35961	0	13352	26852	32088	27244	136525	36130	0	2417	0	38778	46978	35772	22292	29402	425	16872	10231	250185	7678	3518	2374	1090	9422	43866	25701	26788	97271	30266	604085	213034	33110	35612	3785	587	35305	37291	23830	7906	11584	44032	20277	4701	0	27403	19002	583	15332	34756	Peptide	0.375	1.75	0.25
10	C8 H14 O3 N2	187.10771	187.10794	-0.032153897	187.10771	6669	7116	4869	4731	3548	3299	0	1582	1277	0	2917	0	0	1285	1097	1356	1147	2043	0	0	0	0	0	0	1301	0	1251	41759	1008	1182	1720	0	2970	0	0	0	2883	945	1650	0	0	2448	0	0	377	0	0	507	1148	0	7247	3973	2226	447	2391	818	1166	0	0	0	0	0	0	0	733	2092	1335	1498	0	0	0	1546	2140	970	1243	0	666	747	1011	130681	0	0	0	0	0	1615	1333	1935	1503	1952	411110	116200	2281	15653	2512	704	5312	4772	0	924	861	0	1522	0	0	0	2882	0	1358	0	Peptide	0.375	1.75	0.25
2	C8 H14 O3 N2	187.10771	187.10802	-0.08470018	187.1077	24017	29015	20612	20856	20135	36503	8419	16460	15916	5629	19077	15476	17599	9455	10172	12586	22694	27699	22805	4090	3875	14052	10607	14845	5972	640	5930	111559	20795	14466	19968	18119	26761	16353	7513	15348	21242	9993	24816	2768	1872	20236	1147	467	748	4964	2648	529	18447	12854	22872	22038	21868	659	16270	7670	10998	24015	4084	4534	9943	951	22745	13175	14834	24529	18501	25054	1204	1822	997	19657	20784	12629	7627	15067	386	10266	9757	605916	7778	2948	2550	1013	11531	13213	10159	30130	23808	27538	450054	226443	26106	74264	3414	1129	21632	24975	13425	9567	10736	17414	15632	5989	2750	21068	10230	563	10190	30018	Peptide	0.375	1.75	0.25
16	C8 H14 O3 N2	187.10771	187.10777	-0.026066232	187.10771	0	0	1766	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13955	0	0	0	0	0	0	0	0	0	0	0	0	0	0	376	921	537	0	0	871	0	0	0	0	0	310	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	437	0	0	7903	0	0	0	0	0	0	0	0	0	0	33891	8905	0	0	0	480	0	0	0	0	0	0	0	0	0	0	0	627	0	0	Peptide	0.375	1.75	0.25
4	C8 H14 O3 N2	187.10771	187.108	-0.0782769	187.1077	20575	25646	21406	19837	10189	16349	10446	17699	14307	4265	10378	11543	9383	10481	19132	21716	21411	20586	16223	4311	3795	17279	11585	16982	17891	383	8929	58773	12581	16241	21548	18265	22104	16630	5817	18440	24212	15193	24211	2544	3100	15022	800	516	495	6177	5894	665	17715	18816	21737	17498	17742	803	14712	5713	10716	21541	4103	6386	20292	1628	10081	9305	12691	19354	11601	21001	0	2020	0	18212	13082	18876	12270	17094	422	12362	8073	388942	7159	3859	5429	1253	7618	15502	9847	23395	14719	21707	539428	204608	29303	34501	10413	1291	20259	20630	10334	5185	5748	24783	16174	7627	0	19420	9947	811	10465	13327	Peptide	0.375	1.75	0.25
12	C8 H14 O3 N2	187.10771	187.10777	-0.056658767	187.10771	1578	2824	2721	1448	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15401	0	0	0	1418	0	0	0	0	0	968	0	0	0	0	0	532	551	0	0	663	0	0	1665	1660	0	537	0	0	741	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35392	0	0	0	0	0	0	0	0	0	0	133200	51357	1827	3819	0	597	0	0	0	0	0	0	1030	0	0	0	0	412	1027	0	Peptide	0.375	1.75	0.25
20	C13 H14 O1	187.11174	187.11195	0.007372652	187.11174	1213489	1406427	1243020	1240964	364984	3169963	201724	3631928	136317	1278262	135832	154155	244183	5494094	227791	3391099	518712	498255	2694614	1085550	309193	348391	141595	4366205	199180	185679	318376	205177	335741	4677453	2694635	2805766	540795	1845754	273075	3285950	475531	170806	471685	2679387	495419	635837	372851	57232	38325	6204632	1212586	251353	3554105	3001416	1209413	1267360	297282	308619	136412	121061	146608	3898051	130084	389818	3180323	123280	240613	137127	106985	332638	213710	524556	119736	3539355	390571	2758415	1983875	3044923	1236707	3895474	416799	133935	202466	207496	218197	140073	248390	189937	225732	212889	237713	373395	3184055	488658	4635445	309895	512771	120423	3677092	83512	1176855	1319662	156020	211452	240010	510453	190947	3432773	101436	1600805	187382	301456	192272	239836	Phytochemical	0.07692308	1.0769231	0.0
16	C13 H14 O1	187.11174	187.11195	-0.053670943	187.11172	151463	179179	135913	148519	153265	114874	174641	153387	117715	127670	96901	109741	114101	124167	129520	196706	217836	153664	175031	165744	166732	146490	132610	145861	118911	140587	171996	89756	147784	151660	159124	168545	200415	138733	149942	157180	176645	121959	238506	124423	126866	118145	12363	8259	8064	102603	115980	10469	203468	142949	157565	164085	138388	8905	125772	111368	107260	223589	89849	134068	157408	78398	128088	110066	83134	142912	127426	212040	115404	144491	154356	120666	140342	155245	184930	194085	7029	90961	158813	109027	115312	106802	172403	164691	140456	100724	183141	130650	151651	261879	154522	157038	209006	95763	137890	11397	149084	157351	126015	148634	166926	193269	102501	136315	61544	148427	119679	7712	140910	136200	Phytochemical	0.07692308	1.0769231	0.0
22	C13 H14 O1	187.11174	187.11194	-0.050419476	187.11172	167427	177962	150826	169621	141812	226944	119725	280859	101934	159900	91732	106081	92789	256123	139767	314032	169491	160152	181850	213733	135898	120990	114480	288383	125360	111964	124808	95107	163129	293807	222959	270395	189066	243047	124606	260599	179347	124177	162378	171099	92327	134114	35497	23805	16950	304307	140077	25762	267586	254005	164590	160391	122617	23732	107437	87422	95104	328862	83880	96649	254883	69366	115796	91634	77905	137519	126039	167843	80021	307990	128381	231388	175262	240350	129908	299233	21359	93888	131073	88626	106437	83292	111984	94603	108873	99590	140272	137027	215061	206208	328009	156563	191269	79299	257491	27952	144414	171438	117900	120734	105522	185258	110790	255336	70960	190535	87539	28613	129595	116410	Phytochemical	0.07692308	1.0769231	0.0
28	C13 H14 O1	187.11174	187.11195	-0.029861242	187.11174	30747	31300	25107	27641	25303	54391	19493	58555	17437	31027	12220	17100	16928	99991	17897	39745	21939	23863	73450	45333	20487	22018	15655	54249	16032	19004	21372	19877	22388	58959	56125	60529	30037	45288	21738	58175	23586	18755	25322	38770	17749	23053	16516	9825	10194	60192	16441	12329	57513	50492	29163	30598	22833	9942	13395	13194	14779	78683	17557	16290	52556	12071	15980	15546	13219	22080	18592	26239	15564	105916	22527	46325	37385	44490	14850	76353	9509	18308	18422	14247	16380	16674	22094	19306	12797	9055	26036	19728	52600	27383	51653	22191	26327	13964	25567	13927	28972	28345	18561	19697	17992	28314	23444	37702	10331	34916	13982	12527	16717	14674	Phytochemical	0.07692308	1.0769231	0.0
18	C13 H14 O1	187.11174	187.11195	-0.046661403	187.11174	315883	326479	274935	235235	178264	461849	194187	651532	128379	260046	119960	133050	149198	765385	165934	558224	253616	170825	487130	422402	173682	181886	162767	584315	140940	145911	209838	116109	192327	726470	453064	485076	271798	417758	160541	501934	232381	141155	297712	426818	162289	253065	17217	7994	8546	805653	155045	10328	603265	473335	291627	291656	158546	12679	151343	121415	127021	841228	104664	147074	457665	87252	147338	121700	110893	168091	163627	290433	97864	442292	175931	411379	228750	553263	404193	698175	7225	107132	184571	140118	145216	115178	157112	145217	139832	138633	194170	159600	523717	249903	719582	212079	267384	102751	555800	14536	284573	270428	147646	157035	175314	266222	144110	427299	68902	215044	112322	9516	162173	124956	Phytochemical	0.07692308	1.0769231	0.0
24	C13 H14 O1	187.11174	187.11194	-0.030577715	187.11174	81208	105489	82990	85448	82701	100912	70444	126583	52113	66524	55082	64577	70144	138808	92901	142044	111905	87126	152954	103092	74466	78509	69412	128836	75996	77025	79338	64682	85781	128691	114947	127403	119858	116927	72904	128181	112798	77858	122484	89599	65554	92725	24133	12843	12561	98103	55518	15841	134921	94128	89866	93874	72929	13031	67395	57526	62045	165472	52653	52008	134297	39028	65259	53952	50668	75079	66339	104733	65557	129259	96476	115213	89813	103860	73714	159589	15778	69814	80922	44965	79193	52765	73613	59167	68198	51378	100894	73303	123222	122814	139978	83417	121215	47063	78851	16576	93223	89931	73219	71746	66622	119584	71238	101232	43267	104353	58094	16864	81243	70223	Phytochemical	0.07692308	1.0769231	0.0
12	C13 H14 O1	187.11174	187.11198	-0.06642808	187.11172	92806	131265	100238	103363	72575	48211	110616	90756	67137	69602	60019	58572	47351	53698	74569	130106	130800	75378	103798	95348	92520	99591	69458	97218	64317	98077	134003	48830	91506	93951	84475	106969	109977	83847	85342	92310	90574	75170	151297	74533	92677	67015	9006	7399	6378	67408	84759	9414	109241	93048	101421	112961	68490	6844	80385	63023	61080	126230	57591	79991	104865	46344	77865	55413	57754	79543	62359	131742	76646	99037	108482	62207	75465	93755	136020	113037	5046	64942	97504	53370	90603	79408	130590	116254	79072	58343	101741	56257	69612	182237	102440	82658	119652	54981	97493	8864	111536	102362	77661	95707	96478	112161	74501	84350	42570	91193	74317	6513	79947	76470	Phytochemical	0.07692308	1.0769231	0.0
10	C13 H14 O1	187.11174	187.11198	-0.05140181	187.11172	66874	57157	47211	50593	44879	29939	57971	64000	47330	35942	32754	47946	42615	31411	46255	76305	77406	47964	53198	56504	49973	66036	45384	60558	49789	56810	57164	24984	54735	50340	51957	58378	68084	40606	49319	58216	59427	45518	83742	42904	47274	38464	10789	7042	7526	40688	43890	9907	57782	50976	60698	54706	41861	7103	59272	41480	30450	86724	35346	53557	74839	26046	42798	43979	31428	44939	38782	82875	50763	55370	62738	39639	45478	50611	76067	66107	6139	34962	67666	33581	60002	47931	72325	47476	58423	42286	66436	37538	44938	121091	63624	48845	90310	32010	49555	7763	50975	59639	45661	71367	72030	57315	46834	57489	19103	52221	47496	7215	49385	40769	Phytochemical	0.07692308	1.0769231	0.0
14	C13 H14 O1	187.11174	187.11197	-0.047200546	187.11174	123189	153811	114100	120749	122908	78183	138851	134731	104236	90292	84332	100454	109482	89815	106159	145544	160630	115208	108453	139703	146670	131521	96436	110148	104865	144333	151657	81996	130848	122044	106719	138683	163711	116595	128776	132421	137710	99062	184903	108479	130104	102534	9565	7380	6631	84681	110599	9455	158114	110733	126145	124624	102511	6091	102771	95648	92860	188430	86563	105314	130854	64612	106117	98303	74986	106143	98711	197041	101547	130762	155204	95068	108211	121159	144318	146477	5535	84696	135209	85304	116490	98932	149407	141009	119633	75301	151313	90380	119553	244445	147249	105764	182968	68109	113005	10514	133580	126387	102969	146458	155963	135805	100623	122549	45779	126700	86664	6821	118923	80198	Phytochemical	0.07692308	1.0769231	0.0
6	C12 H14 N2	187.12297	187.12323	0.021071317	187.12299	1828	2508	1809	2684	452	1527	824	2783	0	11248	11404	832	0	1352	870	5682	3892	0	984	8467	8153	674	1695	9144	2557	1065	764	28687	1297	1016	1347	1903	1802	1698	8649	0	1660	1039	1860	0	0	2485	0	0	0	1619	0	0	1715	1448	2616	3447	1764	0	0	0	403	4026	0	0	4751	0	0	0	0	1870	3343	5691	0	1709	0	1142	1898	1686	2052	1613	0	495	1395	2775	1833	0	0	0	0	0	1717	2738	729	25093	0	0	12376	1045	2699	0	1730	2466	386	0	0	1835	932	0	0	9599	0	0	1652	0	Unclassified	0.0	1.1666666	0.16666667
4	C12 H14 N2	187.12297	187.12326	-0.03653331	187.12297	3094	3303	2839	2463	0	1162	701	6009	0	14460	9814	1072	0	682	2383	7339	3966	335	684	28848	24348	1167	1994	8700	6940	1412	1722	18466	3289	1427	2198	3137	2636	1845	7686	2190	2493	1733	2820	3023	0	1288	0	0	0	2587	4827	0	3310	2512	2729	1843	832	0	0	0	444	5624	0	0	6496	1537	0	0	0	335	1525	3868	0	0	0	1821	1337	1471	2985	2088	0	985	4113	0	2745	0	0	4585	0	393	3423	2414	1819	20552	3727	0	16281	56618	15761	0	2369	3106	0	0	0	3599	860	0	0	7831	0	0	2719	0	Unclassified	0.0	1.1666666	0.16666667
12	C10 H18 O3	187.13287	187.1331	-0.042551946	187.13286	8318	8981	11934	9443	3311	9488	28011	5792	2379	5159	5125	3854	5370	91433	7153	12333	13813	2549	2930	1526	1933	0	5265	2466	7279	10614	30865	0	9502	9337	5578	8615	7290	9164	2495	8032	4594	7355	13483	1927	0	8249	9773	8510	5274	3651	0	4237	11398	10090	13009	7216	2281	19467	2770	8974	11216	0	0	0	0	1878	5305	1224	41570	13491	23832	12353	0	3218	1950	6193	8373	11867	15677	7673	13317	3678	3904	0	4053	6680	33757	113370	3513	6121	7895	4685	2724	5474	4486	3067	4579	0	5172	6331	13454	9434	10825	4067	4639	6776	3333	0	0	5222	3880	3550	5760	5656	Lipid	0.3	1.8	0.0
6	C9 H18 O2 N2	187.1441	187.14435	-0.09485074	187.14409	14086	13380	14273	14770	27431	22090	919	3196	2324	113079	6536	874	81460	43193	2660	10794	17553	7454	4551	2569	10069	1837	1316	2366	1886	0	984	96799	3479	12886	4227	5853	17558	4923	20696	20706	4194	1039	1843	12702	2927	13979	33210	0	0	7005	20560	0	24690	25479	14648	13140	2163	22764	799	1417	1900	11640	0	53638	3481	0	31825	839	3801	63911	3474	36326	0	7573	3414	16517	4609	4625	22016	30847	0	1194	1334	205978	1201	452	0	0	2446	9579	954	17480	2558	18370	285808	53611	53936	9423	77701	321	12294	14595	4923	1189	6010	8436	1494	0	0	7463	4476	0	931	134800	Peptide	0.22222222	2.0	0.22222222
2	C9 H18 O2 N2	187.1441	187.1444	-0.082232326	187.14409	17880	16629	12621	15996	6053	42860	2514	5481	4484	2125	10214	3944	6222	6729	5522	11008	6573	8975	8758	1270	1292	6584	4817	7218	5073	0	1612	63945	7473	4854	9770	7170	19583	9659	2596	6424	10725	4957	10470	830	641	13248	420	0	0	1573	1536	0	10549	3040	14510	18855	7410	400	3676	1422	2893	15371	390	767	7970	0	4781	3055	3351	6367	7824	12792	0	1247	877	8100	5943	3541	9972	4492	482	4784	4322	269001	3195	0	653	421	4382	4171	6993	9669	11802	13759	279981	187625	12926	87481	5659	456	17335	16120	5880	2520	2712	8210	7830	3761	448	11348	2730	0	6349	7091	Peptide	0.22222222	2.0	0.22222222
10	C9 H18 O2 N2	187.1441	187.14417	-0.032568388	187.1441	0	1077	0	0	0	1955	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1715	0	0	0	4206	0	0	0	1477	0	1763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1462	1514	642	0	0	0	0	0	0	0	0	0	0	0	1013	0	1313	0	0	0	0	0	0	0	0	0	0	0	0	26080	0	0	0	0	0	0	1066	0	0	0	144403	33230	0	4118	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22222222	2.0	0.22222222
4	C9 H18 O2 N2	187.1441	187.14435	-0.23683275	187.14406	4008	5121	3595	3686	6061	2700	687	2023	2252	3773	9991	874	1345	4577	2545	3325	2845	1055	1493	1855	2919	1327	2264	2548	1362	0	761	48817	2316	1606	2580	2770	1772	4537	0	2773	1352	2293	4154	0	0	2451	0	0	0	0	0	0	2796	1472	3985	3516	1438	0	533	595	982	4049	0	0	2023	0	1447	257	1099	1916	994	3002	0	0	0	2320	1683	1544	1325	2714	0	792	2149	84671	3311	521	253	0	921	3358	2301	3320	5372	4019	214865	70057	4772	5460	0	0	3600	4576	1478	649	1073	1618	526	0	0	2522	1720	311	1711	480	Peptide	0.22222222	2.0	0.22222222
8	C9 H18 O2 N2	187.1441	187.14438	0.048270427	187.14412	2048	3609	1947	2940	0	3364	0	0	0	1461	2032	0	1096	0	0	0	845	949	0	0	0	0	0	0	0	0	1149	6680	0	0	0	0	2660	795	0	0	0	0	0	0	0	976	2108	0	0	0	0	0	0	834	2803	2870	0	1069	0	0	0	987	0	700	0	0	0	0	3054	2186	0	1501	0	0	0	0	0	0	855	792	0	582	0	68079	0	0	0	0	1009	0	0	770	0	0	142106	45988	1485	11393	3029	0	3870	2626	0	0	0	0	0	0	0	1016	0	0	0	0	Peptide	0.22222222	2.0	0.22222222
28	C14 H18	187.14813	187.14833	-0.060493723	187.14812	19856	22249	17994	19165	21952	11994	38514	24178	18860	11223	13118	12914	19076	20536	20095	26980	26870	15961	23725	18339	18580	24469	16915	16818	23549	22343	33219	19569	21605	24704	17646	24982	23888	20172	17312	26809	17836	18606	25469	13239	14813	17876	4394	2693	5634	16012	13102	2698	25386	20511	19643	20944	19347	7075	19025	18113	14517	33510	12872	11047	30887	9864	14898	15910	13616	22240	21011	31201	19830	13004	17719	14333	15621	23392	15991	22477	3807	14079	29931	36410	17293	15010	16552	17777	26584	14018	53142	14920	18806	73768	45593	36054	46111	30169	19080	4576	21010	22099	17926	32440	32498	28625	18376	18304	8733	25672	25323	4006	23419	11510	Phytochemical	0.0	1.2857143	0.0
16	C14 H18	187.14813	187.14835	-0.036388893	187.14812	37278	46382	33821	38210	40257	19665	56301	39275	23745	16219	20297	27226	26549	27393	26308	58437	58803	26622	29432	22366	26423	47918	26119	38873	29798	35982	53243	15423	28593	32816	29945	38012	39263	21996	21062	34114	35474	25536	62838	20860	29443	24016	2634	1723	1411	20573	34093	2503	34717	33129	41575	41724	27557	1272	22751	31547	23669	65561	18722	40518	57329	14891	25680	18772	19835	30390	27757	58211	24256	27599	37595	25490	30369	34685	46612	34948	1062	20330	47940	36008	30295	25740	70092	51016	47908	29039	53474	25532	26657	186877	60358	47030	84593	31411	36286	2352	36595	34009	28347	53954	65532	40666	25196	30382	11020	51122	35638	1397	38051	19676	Phytochemical	0.0	1.2857143	0.0
12	C14 H18	187.14813	187.14838	0.005777132	187.14813	7680	9815	10744	12026	8011	4911	11574	10421	6230	4493	3034	6819	4129	7043	7331	18258	12813	4015	4852	8062	5231	11404	9460	13416	5842	5999	15556	0	7603	8781	8903	10138	8516	8111	3860	9776	7158	10075	15118	5545	5139	5510	965	897	1068	6823	8769	1943	11068	10169	15085	11323	8160	1323	4711	8623	7240	15924	5180	7136	0	2939	6624	4306	3889	7992	6444	13000	0	4590	7989	5000	5311	10757	16448	12222	803	5966	13804	0	9591	8474	12304	7772	10113	7230	12230	5014	7494	43057	15846	11867	14652	7777	10862	1127	12690	12403	5717	15732	17215	9311	6460	7980	0	9585	10760	985	9086	3691	Phytochemical	0.0	1.2857143	0.0
24	C14 H18	187.14813	187.14832	-0.052350864	187.14812	141039	160499	127920	137365	164719	91136	235740	158634	101591	98936	95083	102964	123343	153578	146503	258636	201568	130793	170467	130040	122170	174620	113776	158981	154719	91586	234305	110622	128971	129108	116599	147380	148651	121905	112871	155355	151036	131807	202341	76644	91573	111378	11461	4294	5734	87923	109796	5745	153320	134762	145469	139125	126005	6426	118542	113510	85744	270844	86597	104684	236055	49970	117404	86985	89065	133323	135536	192645	58971	80632	89642	107512	105932	133259	145462	140497	5306	91163	165405	172150	112085	102139	150158	120512	149720	94627	242611	99382	117693	479002	306413	266213	341106	120439	162409	5479	145128	152874	120016	135896	144398	170501	92654	139091	84455	199385	113866	4465	160414	116976	Phytochemical	0.0	1.2857143	0.0
18	C14 H18	187.14813	187.14833	-0.06548038	187.14812	84351	85675	79835	67314	63821	46879	160154	85621	37066	38392	40771	54155	55986	119817	54914	107188	130664	52211	80612	61889	47840	87979	53831	83825	63138	89377	158312	45800	60257	67829	62609	78100	76038	58951	38463	77816	64785	54637	130340	42756	74710	51346	6389	1578	1555	51751	64281	2548	71447	61887	85911	77939	62505	2587	45739	66545	55066	116259	34337	93794	100830	28700	71198	40317	77014	58829	79349	139119	46792	49668	80713	43243	45715	82423	110590	76952	1664	35796	93598	94143	64391	64190	152611	237933	72911	64216	106743	51115	52532	291297	118878	127239	169418	61014	94212	2955	85468	78186	59849	94469	106840	71000	50632	59240	30263	68325	56530	1979	74247	41474	Phytochemical	0.0	1.2857143	0.0
14	C14 H18	187.14813	187.14836	-0.013791376	187.14812	22664	21920	16715	19532	18232	10076	24859	20636	11741	11473	7418	15709	13887	15814	18602	23298	29182	12079	13367	11460	14673	29039	12219	18812	16258	17923	30537	10420	15022	15887	17560	17959	20755	10253	12249	20714	15155	14090	28537	11900	11772	9818	0	1265	1034	14074	12674	1891	19478	13126	16793	17731	14509	1248	10806	14939	14549	32306	9442	17695	0	6142	14192	8638	11535	13024	13394	27174	15250	14183	15271	10433	12338	17769	24906	18899	838	12481	22274	20323	22613	15161	27460	30447	23820	12435	28605	8434	12507	91214	30645	17274	41557	11639	18674	2030	20590	15140	12502	35177	32444	20596	15608	14564	0	23902	22138	933	21703	7661	Phytochemical	0.0	1.2857143	0.0
26	C14 H18	187.14813	187.14835	-0.016254256	187.14812	66045	85729	67043	67870	79797	34990	139694	91451	63053	33633	51844	52497	62773	76976	81040	103178	102685	52447	82513	60697	52934	89349	53970	80087	85987	63667	142970	69272	70563	89052	67582	85659	86572	64585	53874	113625	76196	76045	114342	55126	58586	61461	7626	0	0	40799	43673	4948	81486	82917	78924	70701	62623	0	59087	64403	52484	122419	39280	42644	110935	27693	59253	48313	53772	66410	71296	118433	50662	54245	57196	51699	68841	123077	81395	104674	0	52706	92721	94691	59602	55812	70083	62418	74521	52231	161073	50034	55273	214639	134293	113147	145377	57189	65676	0	74025	78290	68803	82917	86211	103112	58509	68227	41387	85073	68593	0	97460	46525	Phytochemical	0.0	1.2857143	0.0
22	C14 H18	187.14813	187.14832	-0.056518067	187.14812	151788	176425	126896	147366	171948	98853	232474	159600	107615	106432	104930	104139	91563	149062	132067	219565	239419	126917	131238	119876	111494	210755	121812	144303	157138	101575	244169	92375	135235	129894	112161	142685	154608	122179	93338	147459	143048	126822	232383	83928	103238	102740	12000	4376	3695	107803	210997	4910	145017	140626	159827	150255	126047	8422	103839	124602	101111	249795	84012	131733	192592	56889	119147	91506	99925	135503	127173	233050	71479	85040	99592	103944	98325	133159	166022	148186	4275	84223	188853	218482	125494	110654	186340	152797	151762	123465	246944	108711	108324	565165	315621	247012	309431	168333	204607	7245	129287	157207	132919	172349	153071	180866	107078	148159	78551	183631	133387	3350	173621	111338	Phytochemical	0.0	1.2857143	0.0
0	C8 H18 O1 N4	187.15533	187.15555	-0.4303156	187.15526	0	0	2398	0	40825	62368	0	0	8653	0	0	0	0	0	0	0	0	5633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	895	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11377	0	2940	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20340	0	0	0	0	0	0	0	0	0	0	0	0	0	51784	0	0	0	0	0	0	0	1027	0	0	1024	Peptide	0.125	2.25	0.5
2	C10 H22 O1 N2	187.1805	187.18077	-0.021080742	187.18048	1345	1396	1545	1270	596	0	0	6263	0	3629	3407	0	407	283	0	2350	569	525	0	0	333	2709	323	1052	386	0	0	9208	8636	2722	62011	884	620	906	1131	3820	761	0	641	0	0	0	0	0	0	456	588	0	1481	1498	1226	1440	479	0	0	0	0	2058	0	0	1468	0	491	0	0	639	857	581	0	253	0	1286	1137	1244	7829	4369	0	573	687	0	749	0	0	281	324	393	521	424	360	1569	8356	7558	2044	3274	2435	0	955	1349	0	447	445	717	0	307	0	1191	218	0	723	0	Unclassified	0.1	2.2	0.2
8	C7 H9 O3 N1 S1	188.0376	188.03784	0.07025162	188.0376	20487	18347	13876	13490	10893	135689	4571	18761	33611	0	2138	4978	2915	14740	11008	20096	30519	19096	8664	0	0	5047	7268	6625	3986	0	5589	2520	25049	23837	48284	29330	44147	24376	0	22346	38517	14459	50163	0	0	47739	0	0	0	5007	0	0	34763	16844	11925	20100	52023	0	2686	895	11497	29348	0	0	29902	0	3466	3733	14669	25651	54124	60002	0	1889	0	24011	32421	18063	27450	29697	0	4405	5298	0	3813	1233	0	0	3094	9935	10429	43352	36407	21840	0	0	15691	0	0	0	12847	10206	4206	924	0	31679	9339	0	0	37424	2836	0	6562	9490	Peptide	0.42857143	1.2857143	0.14285715
12	C11 H9 O2 N1	188.0706	188.07083	-0.013668787	188.0706	14662	19817	18075	16985	13139	11797	14651	17066	10306	8309	10936	9498	9065	12884	12183	43819	25093	12982	14517	4843	2642	17823	9571	38875	13642	3070	22587	12321	14757	19450	13191	22488	30864	17530	4609	15941	32980	12418	25642	4488	0	16248	2232	2811	2640	7115	5157	3411	30846	15236	15480	20608	15422	2424	7162	5814	10943	45522	0	0	33516	0	10926	8262	7965	18546	17932	25465	0	1544	2040	14578	15348	15362	28693	20437	1759	11915	18852	34520	14860	6069	4235	2580	8058	11346	24724	17094	17398	36346	27693	12708	39849	6337	6855	3381	19159	21012	8570	5853	7938	35668	11544	8242	0	22692	6152	3096	16822	12759	Phytochemical	0.18181819	0.8181818	0.09090909
6	C11 H9 O2 N1	188.0706	188.07088	-0.043668088	188.0706	26156	25749	20607	22080	29892	21367	20132	26413	18978	8440	13231	13839	19825	25943	16306	53659	22120	33342	34269	5372	3353	18956	16878	31105	20265	2962	19907	21048	27336	20963	25399	31060	40911	36120	9638	25554	35321	16000	41276	4276	5343	22017	2858	2192	2240	9347	3853	2472	34126	19555	25570	22726	29844	2267	13357	11537	12343	56796	2406	4885	47360	2283	15929	10794	10094	27197	32095	44602	2741	6176	3724	24820	25452	19815	29575	33779	1706	13075	21433	25369	14078	6046	3804	2631	11282	13202	33935	25320	28839	82527	24823	14954	53521	8721	6859	2640	22235	19344	16525	11002	14331	35031	15742	5646	0	37611	12239	1943	23730	20930	Phytochemical	0.18181819	0.8181818	0.09090909
10	C11 H9 O2 N1	188.0706	188.07085	-0.014372061	188.0706	20122	18941	19253	17547	18700	15468	21322	43069	12851	6525	16176	22204	11258	14434	15811	48704	40225	20921	24616	4860	5468	14758	26056	40763	27145	2222	24725	33878	39070	44376	24856	38730	40671	33002	6546	30927	38354	15711	36366	5070	6657	19284	2741	2320	2833	6528	4473	3211	42532	31860	22422	21564	21689	3252	12223	6454	7198	59226	5289	7763	62031	2712	12470	11620	9632	20409	20296	56757	0	4482	0	34042	48057	36260	43247	33752	2006	20712	18898	35218	14199	8336	6550	2944	9875	11703	25277	30220	28376	48157	30198	16474	31802	10395	5397	3425	20735	20053	7989	7425	10142	37755	19948	7246	0	47680	7410	2824	22707	16840	Phytochemical	0.18181819	0.8181818	0.09090909
16	C11 H9 O2 N1	188.0706	188.07083	0.006902351	188.0706	7823	8162	9262	12413	4885	11334	10277	25172	4606	0	5043	10936	5051	8659	15107	17321	23443	11606	12928	2096	2713	8075	6505	15870	15065	0	10800	6197	29770	17120	30744	25955	23056	16350	2719	24811	24114	8258	21135	0	3546	9553	2032	2942	3292	3627	2909	3733	21635	19956	7489	14350	8010	3025	1969	1839	4899	23616	1414	2749	16670	1324	2474	0	3406	10545	10550	14673	0	1654	0	24136	26657	25132	14642	23981	2477	12934	7233	9667	4019	3633	2019	0	2460	6769	7289	14725	18574	0	11617	6037	0	2369	0	3012	9174	8477	4315	2476	4959	18727	14682	3135	0	20871	3897	2965	12395	6727	Phytochemical	0.18181819	0.8181818	0.09090909
8	C11 H9 O2 N1	188.0706	188.07085	-0.07014377	188.07059	75013	79379	43198	75870	42389	52573	66758	124599	31314	25951	36415	66485	22278	38828	69591	217983	110238	60985	77645	7391	6211	41123	44480	126373	60423	2317	68738	51527	125589	84500	91035	149788	132066	152084	18780	114124	144745	77155	172265	6978	5150	65112	2433	2569	2736	15268	4022	2735	155548	93561	68695	76193	52643	2647	17210	8086	23067	173306	3895	4718	196751	2757	28850	25024	22035	56259	69736	160214	4488	7709	4851	133053	146014	95236	139608	152465	2028	50528	57561	71742	41294	7706	6567	3432	22847	24305	78365	88193	105634	199738	92816	43491	129707	15643	13564	3225	68681	63107	14514	17238	18258	124833	60890	8353	0	161850	16605	2097	73901	43810	Phytochemical	0.18181819	0.8181818	0.09090909
2	C11 H9 O2 N1	188.0706	188.0709	-0.04684423	188.0706	15399	18290	13921	16041	36030	24493	5842	17645	20295	7105	10989	10086	21236	23991	9353	32131	16749	36239	39683	6929	7237	16557	12869	15787	8346	1645	6597	7289	15964	12618	15055	16326	19283	13315	8326	15242	19877	7757	17132	4484	3970	36743	1874	1926	2568	7229	5021	2343	15808	11342	14440	15873	26180	2076	18795	10115	11823	23608	2153	4273	22594	2060	29967	21517	10268	22105	32014	21390	3087	4179	2497	10546	13939	14497	20330	17722	1515	7730	8976	7220	6410	4534	3478	2895	14278	10620	12082	32950	36462	41341	7781	4519	43231	3958	5505	3763	16002	19019	13496	13392	11118	20149	8604	5683	4217	37577	12812	1944	6828	31472	Phytochemical	0.18181819	0.8181818	0.09090909
14	C11 H9 O2 N1	188.0706	188.07082	-0.001594984	188.0706	12690	13314	11943	14052	14844	11519	14039	12757	4346	3858	9860	10093	6258	16895	9507	23594	23288	11283	13225	3937	3207	7168	7334	17980	10762	0	18630	8818	10304	14727	17899	17433	21872	25141	4990	14944	26090	12225	24825	4493	0	13899	0	2430	2472	3666	0	2988	24192	13498	12707	8439	12359	2157	4787	3787	9009	31666	0	0	20810	0	11915	5696	6777	13747	12759	23589	0	2808	3462	14350	18358	10557	17468	19026	2130	12025	17962	0	15524	3774	3508	2045	4620	4479	14278	19535	20877	35475	14196	10947	17468	0	3166	3252	15003	10649	5377	5667	8608	15234	11373	3212	0	24978	6329	2721	16229	10963	Phytochemical	0.18181819	0.8181818	0.09090909
4	C11 H9 O2 N1	188.0706	188.0709	-0.004328179	188.0706	89137	104792	85490	94535	77692	47539	27618	32057	57168	27894	124193	18969	113029	81600	45848	63572	79036	70258	103894	18346	15590	40673	27091	35455	39219	2268	78907	253797	30062	25021	26414	34917	48287	32274	57410	32664	39733	71054	115070	9753	12217	50470	2818	2162	2828	20401	54545	3225	35855	26172	92226	76250	62631	2540	72587	31541	37965	58863	3485	8805	51317	4108	87332	53309	31990	154682	62762	89633	4924	11218	18625	22027	28125	27864	37088	31151	1926	18046	60351	507740	39047	8444	4599	5616	45688	40455	47263	50384	60652	91002	1215732	1546581	52441	188975	27100	4893	84341	95184	332308	53542	84724	48067	23524	9785	5850	44828	59551	2509	39037	79666	Phytochemical	0.18181819	0.8181818	0.09090909
4	C8 H13 O2 N1 S1	188.07397	188.07423	-0.17113064	188.07394	7674	8161	5928	6747	2509	4318	5312	14079	1058	2625	1866	2631	1607	1283	3482	20719	17991	6320	1629	1953	1150	3184	2168	7535	3179	0	3458	3551	20252	26516	22890	16095	6400	17635	1076	25702	5016	4807	23278	0	0	6492	0	0	0	2056	901	0	17890	15955	7854	6146	7634	0	544	2645	3808	11916	525	865	15077	0	643	448	3707	4486	3658	21828	0	0	0	15801	21159	39563	24143	28850	0	1755	2623	0	2834	1049	556	0	2522	8769	4054	17642	7112	8541	0	1340	4534	0	0	0	7002	7677	1729	4669	5842	6905	1396	0	0	4779	4958	0	7463	1031	Organosulfur	0.25	1.625	0.125
8	C8 H13 O4 N1	188.09174	188.092	-0.06341056	188.09172	56955	77405	53918	68941	53200	73066	72227	88789	63622	13024	23644	58929	87343	66276	82061	92763	92408	92073	82832	19566	15712	38109	64940	87120	54543	5892	64320	21863	92972	72455	85929	99179	99931	104902	24276	83836	99683	69425	108294	9634	7968	63554	10771	11190	13734	25060	15370	10641	96852	64084	68061	66603	58103	10743	66594	38249	43965	82739	19931	15981	86905	9628	52926	52378	55493	107196	65121	96770	8690	7566	8118	113903	98105	78851	62898	84822	9064	61485	56196	22130	55196	26247	24557	16232	40774	48947	64958	84389	76713	74688	59798	45201	81298	13772	11396	11931	64260	67843	44590	41666	41897	92792	75422	15135	10230	68108	47404	11104	58942	93157	Lipid	0.5	1.625	0.125
0	C7 H13 O3 N3	188.10297	188.10327	-0.105316736	188.10295	2232	2721	2770	2385	8752	0	0	13641	7697	0	0	0	17295	4862	2785	2862	1787	9431	11425	0	3052	12134	10273	5359	16674	0	0	3813	19567	0	19825	3519	27815	4942	4521	1958	4433	6232	3493	0	0	3437	0	0	0	4025	0	0	5457	0	2767	1893	13358	0	10178	3184	2650	9023	1128	0	3091	0	13220	4093	4007	8574	29681	2012	0	2295	0	4614	4723	2518	0	3035	0	4265	2894	2114	3764	0	0	0	2982	3047	5668	4261	12928	6650	14085	7132	12442	0	0	0	1988	2564	3242	3015	5114	3013	3010	0	0	12822	5904	0	3787	22896	Peptide	0.42857143	1.8571428	0.42857143
2	C12 H13 O1 N1	188.107	188.10728	-0.083654396	188.10698	27763	31371	22229	28382	6116	0	42445	32432	4338	18946	12391	16005	3606	9565	26140	104555	96364	14652	16285	13953	10242	12786	13881	48456	54542	4435	50699	19376	36463	28336	65722	40411	97292	45853	13316	25743	109068	21475	66601	7063	5973	20824	3110	3273	4210	9238	8079	3651	45414	15556	25318	28034	18062	4297	5917	4140	8575	127745	3665	3726	62573	5631	5087	6770	9007	10553	31286	138548	5081	19995	10832	24384	19132	19533	43479	22815	4549	13629	25359	13455	18840	6452	3772	6182	5215	12949	20325	147036	56171	56450	12105	5631	55830	6699	9863	4574	28914	30136	6427	3757	4603	118525	14603	9213	5658	103581	4488	4193	50801	4467	Phytochemical	0.083333336	1.0833334	0.083333336
6	C12 H13 O1 N1	188.107	188.10725	-0.054579183	188.10698	7608	7988	6921	6575	4465	5076	3379	7236	3887	15394	15628	5487	4129	3992	4870	9899	7098	3764	5076	10913	13254	3833	5792	7671	5746	5112	4481	32992	7872	7781	6729	7869	8120	6926	9360	6816	9313	5116	6461	4116	4205	4858	4016	3910	4843	7154	6918	3430	10085	8505	5786	5991	5358	5562	4519	3560	4892	7313	4744	4409	8720	5362	4075	3661	4189	3277	5819	8062	3427	5386	4845	6876	8185	5326	6228	7547	4852	3916	5193	7780	4391	4237	4259	5124	2244	5243	5313	4463	5990	8688	6905	4308	10380	5716	6271	3774	8189	8573	2790	3184	3375	7932	5698	5309	0	7760	2868	4306	5869	4468	Phytochemical	0.083333336	1.0833334	0.083333336
4	C12 H13 O1 N1	188.107	188.10728	-0.07005459	188.10698	19359	21135	20375	19229	8382	13914	16979	28928	6131	18960	15722	17555	5523	7561	16228	55360	42975	18226	16552	12273	14798	10925	13951	33547	21884	4916	25602	19712	35645	15367	26307	31865	34921	30895	15356	33177	37400	17024	35978	5637	5325	19305	5621	3896	4616	10887	8883	5142	34461	24923	23705	17232	14768	5696	6793	4999	8875	48724	4392	4706	40515	5693	7199	6869	7773	10781	13489	42605	5925	9874	5778	20509	26853	30073	31396	27354	4680	16991	22103	9142	14282	5574	4026	6216	4874	8880	21644	28291	21610	45592	20681	4999	31298	6314	9803	5505	18267	18511	5955	5499	5522	35427	13179	7752	6217	25693	6768	5414	18479	7177	Phytochemical	0.083333336	1.0833334	0.083333336
0	C9 H17 O1 N1 S1	188.11037	188.11067	-0.07872147	188.11035	6719	3758	5098	3828	0	0	0	5139	0	0	0	2974	0	0	1391	0	1166	0	0	0	1969	14151	10180	0	14154	0	0	0	0	2026	4269	0	3974	0	0	0	0	3744	1899	0	0	0	0	0	0	0	0	0	0	3497	4607	5021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	322	0	0	0	0	28862	0	2728	0	3824	437887	83630	36998	0	0	0	0	0	253827	0	0	283737	0	3569	34795	20814	0	0	4756	4640	0	0	0	0	4443	0	0	2626	0	0	6382	0	Organosulfur	0.11111111	1.8888888	0.11111111
14	C9 H17 O3 N1	188.12811	188.12834	-0.00358636	188.12811	28430	23438	19004	22380	47183	11002	2788	6948	3086	17389	1901	2382	28328	856620	2728	6057	0	12547	6350	0	0	5342	17801	22521	6174	0	3388	19144	13209	18839	8399	43515	9605	52604	4119	26070	5526	0	2379	5079	5253	8487	16497	1308	1445	3156	0	1618	12632	10521	26304	22811	14408	8736	124744	1283	22386	36426	0	0	0	0	10427	4608	6916	33139	16469	12683	0	1867	1298	25786	80205	25835	1919	20495	1285	11013	0	26667	9661	2352	0	1055	1181	71345	4743	18378	26604	3986	47955	52091	21024	0	3859	1463	27784	16046	4714	0	3324	4888	7140	2094	0	26949	4603	1352	3461	24743	Lipid	0.33333334	1.8888888	0.11111111
2	C9 H17 O3 N1	188.12811	188.12842	-0.1029945	188.1281	26139	24729	22806	21288	46963	28096	9537	21207	30038	11964	9281	54313	51833	40101	9039	12349	17243	44802	47643	18083	20460	20701	9273	15028	8899	655	4050	4954	34941	24477	29860	34945	50174	34749	17776	27573	40016	7684	22603	7694	6197	24325	3741	820	715	10024	7469	1031	42453	14070	20553	23016	36481	951	28543	16977	20747	40379	4596	6386	18075	3155	47910	29020	29582	54244	41534	24910	1697	3617	2517	27691	30438	19876	10792	33533	851	31439	8801	3704	6655	4873	4455	2561	17570	8843	10906	27758	50504	32121	20537	23467	24273	6258	5739	1262	21985	24553	19693	27917	21936	34234	36335	21779	5029	29312	15659	1052	5883	65623	Lipid	0.33333334	1.8888888	0.11111111
10	C9 H17 O3 N1	188.12811	188.12836	-0.063837044	188.12811	45541	48900	46386	46776	15103	88749	103647	60972	9991	20074	21657	21553	18007	828081	46836	47316	31718	22357	67750	25309	12729	29898	49378	73152	57037	104688	96877	45648	76612	48566	64848	54399	25236	46670	6264	56020	19943	33502	19334	8358	19141	91825	30601	2030	2287	46936	15705	1873	41315	54808	50143	43540	19133	4533	11559	116227	71787	47488	8673	16223	90103	13950	71601	4891	521670	21849	410451	22409	35244	63674	28940	35243	56903	72034	20538	62464	1767	24088	31658	50734	19309	24498	72477	580053	6156	41912	48033	28090	73553	60512	26739	17968	90210	17036	15382	5976	54698	68552	189354	3961	8749	53929	20353	26540	0	35995	17123	2084	38110	25410	Lipid	0.33333334	1.8888888	0.11111111
4	C9 H17 O3 N1	188.12811	188.1284	-0.09028271	188.1281	5752	6996	4692	6380	6040	7324	4041	4429	5464	4175	4444	3330	5354	6263	3779	8259	10662	7483	4967	2841	3435	3802	3043	3547	3505	709	5421	0	4157	4170	5551	5715	7695	6493	4736	5742	7672	3016	12031	2174	3431	10996	887	566	653	4375	4321	747	6044	4344	6780	5279	9596	1203	4155	4526	4964	7756	2674	5183	6174	996	5658	3212	4852	9463	13240	9118	1411	1699	0	5180	5850	6266	5831	5543	518	2618	3583	0	2054	3867	3379	3271	4153	6190	4441	7699	8452	5185	4935	4607	4712	3526	4733	985	5805	5661	40569	5602	5693	7095	3737	3810	0	4590	5946	724	3737	6565	Lipid	0.33333334	1.8888888	0.11111111
2	C8 H17 O2 N3	188.13936	188.13963	-0.10398146	188.13933	17700	17881	14083	14896	14677	0	2835	14160	9841	3770	2672	6046	10087	4547	12519	39120	11656	46725	46234	2923	3008	37343	14344	36605	20123	0	4689	6813	15729	8365	14932	15752	21515	13939	4450	13922	16025	9816	13334	718	0	21931	509	0	0	6714	1579	0	21375	7242	14283	15697	19697	0	17533	1295	7966	43246	1085	446	37784	0	20571	10374	6346	21668	24754	21030	0	1843	660	9032	9243	5992	13738	9311	0	4901	10641	2685	9776	1328	1611	333	4307	10556	14970	24920	28608	74777	5883	6776	98539	1080	5020	0	13582	15392	3960	1927	2301	22998	6089	4715	1327	43861	3151	0	14914	26774	Peptide	0.25	2.125	0.375
4	C13 H17 N1	188.14337	188.14368	-0.018012406	188.14337	16062	18818	17488	17700	4087	2899	8148	24508	3272	14272	7301	10142	626	1179	10767	59737	13338	2389	2864	14320	13582	15031	12468	63950	70385	1587	11161	9971	15012	9023	17160	16209	11373	15497	14323	16523	11456	11080	11472	4251	760	2497	0	361	524	8118	3554	475	26796	17263	17570	13202	4766	434	662	360	1807	58247	0	0	51072	1118	544	888	2368	1257	3221	19155	876	5406	2398	18248	16314	21356	21663	14502	363	9864	40869	14547	18640	883	682	3073	448	1835	61802	3949	4452	192812	28684	712	269638	5735	15215	923	16662	18470	1754	493	526	11569	8192	2545	0	58907	1128	692	65686	2101	Phytochemical	0.0	1.3076923	0.07692308
12	C10 H21 O2 N1	188.1645	188.16466	0.08005954	188.16452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1437	0	2592	0	0	0	0	0	0	0	0	0	0	0	0	0	4585	0	0	0	0	0	0	0	0	0	0	2177	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1381	0	0	0	0	0	0	0	0	0	0	1019	0	0	0	0	0	24847	0	0	0	0	0	0	2301	0	0	32787	12219	2106	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	2.1	0.1
6	C10 H21 O2 N1	188.1645	188.16476	-0.03687017	188.1645	1834	2656	2632	4337	4249	2183	6535	3015	1504	1452	1019	1294	2712	4165	2538	4652	824	2209	1236	1634	1102	1766	1444	2706	2559	0	1972	15809	3825	4632	2377	2137	2154	1701	2132	2754	1631	2021	1813	0	1052	1615	0	0	0	1577	0	0	3454	1967	2899	2280	2278	452	1341	419	904	3988	0	0	3453	0	2392	3145	1697	3172	2370	1832	0	1422	0	2266	4613	7379	1322	2174	0	877	1182	11151	452	760	1435	197873	1122	2753	4218	2099	2481	4443	3671	2514	4021	501	2015	0	2156	2402	838	644	468	2162	688	0	0	5391	1472	0	1833	806	Lipid	0.2	2.1	0.1
8	C10 H21 O2 N1	188.1645	188.1647	-0.12792544	188.16447	1624	2954	2021	3087	43932	4345	1107	0	3419	1220	2110	0	29166	23997	0	0	0	0	1450	0	0	1677	0	0	0	0	1029	0	0	1929	0	966	0	806	0	0	0	0	0	0	0	1050	0	0	0	0	0	0	1326	0	1485	2647	19632	0	0	3138	2453	2506	0	0	0	0	1995	2016	2367	16051	7594	1266	0	0	0	1438	10103	0	0	13959	0	0	0	0	0	0	925	53853	0	0	952	2841	0	5571	0	0	3467	0	0	0	3076	1623	6522	4883	4996	0	0	0	0	1997	19581	0	1189	2415	Lipid	0.2	2.1	0.1
10	C11 H25 O1 N1	188.2009	188.20117	-0.104491934	188.20087	0	0	0	0	0	9997	2748	6092	0	0	0	17719	0	0	22111	1852	26637	0	0	0	1624	0	2614	0	16404	0	0	0	23622	0	3389	0	0	35057	0	26192	0	17294	6649	0	0	12723	0	0	0	0	0	0	2065	3328	0	0	0	0	0	0	1549	0	0	0	0	0	0	0	18250	0	24453	1195	0	0	0	1943	2027	1426	0	0	0	12371	0	0	0	0	0	0	0	5815	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1252	0	0	10379	0	0	4700	0	Lipid	0.09090909	2.2727273	0.09090909
16	C11 H25 O1 N1	188.2009	188.20105	-0.002851087	188.2009	1405788	1532764	1261880	1565409	9747804	3725	0	0	6605	13345	0	0	31161	161218	0	162863	0	16671409	92125	0	12250	20342	0	32855	0	0	1166	0	6333	1742	1139	28720540	22461	13212	7172	0	55174	1040	7315	1855997	14985	1523	647905	0	0	8128	5551	230447	681431	0	1235151	1466586	106027	0	0	0	15022	86848	0	1404	0	0	6888	0	3253	14963	4654	62954	0	5556	2919	0	1826	0	10094	5401	0	1115	0	0	6777	0	0	0	0	0	4542	111583	26427	979517	75711	3355	38657	12538	4874	47698	975480	799896	0	153754	0	5774	0	0	0	0	1482	0	0	6556	Lipid	0.09090909	2.2727273	0.09090909
12	C11 H25 O1 N1	188.2009	188.2011	-0.05533335	188.20088	6433	9002	9665	7596	0	1467	9605	1678	0	0	0	4238	0	0	3099	4929	2739	11047	10716	0	0	0	2746	0	1297	0	6529	0	11399	3930	4094	69406	16641	53461	0	14444	16332	14967	14864	0	0	15196	0	0	0	0	0	0	59472	0	7110	9232	6821	0	0	0	13053	28777	0	0	0	0	0	0	3552	4538	6384	26004	0	0	0	6113	12303	0	7930	11609	0	2754	0	0	0	0	0	0	1165	0	1406	13518	37124	0	0	0	0	0	0	0	8390	9294	0	0	0	9089	14431	0	0	14908	0	0	8055	0	Lipid	0.09090909	2.2727273	0.09090909
14	C11 H8 O3	189.05463	189.05486	-0.052180126	189.05461	66951	72951	56774	71078	95964	82831	64474	63867	97799	48042	41326	50168	112568	81166	70483	90391	92347	149842	123302	53042	48955	66637	70599	54340	67579	25292	59040	53159	88873	78309	62112	87480	97471	79379	67826	80794	82200	53734	79720	39245	41454	81231	17512	17156	19165	50873	30166	24579	82944	58465	62789	65040	90380	18246	102446	59979	73257	106230	26582	29382	65359	26273	117068	83193	53886	132555	100553	78231	22913	45744	33893	59291	68422	73084	67047	93612	14921	60267	71462	37468	78429	41450	33338	27385	72776	56625	87244	81608	103929	103710	61803	49087	77227	41042	40529	27440	72789	67187	69185	85131	85680	79793	67851	37797	17368	65295	52432	18982	64363	103017	Phytochemical	0.27272728	0.72727275	0.0
4	C8 H12 O3 S1	189.058	189.05826	-0.0971314	189.05797	73355	80584	68378	77651	1253	1012	626568	8299	1571	0	72737	920497	855	1678	2342	5991	3893	1694	2407	1063	932	513	1203	797	1297	749	4065951	55735	3991	27781	7057	5308	4223	739	1432	8199	1068	3016	3950	0	0	1677	0	0	0	0	0	6218	4704	13001	80251	59700	1653	0	1140	2198	2702	5163	0	747	3813	0	685	244135	2936	810	2485	3458	0	0	0	1172	1367	4919	6006	3225	0	446605	530	0	1479	1107	962	327	21504	1340	1583	1270	2919	1217	0	0	610	0	0	0	59058	89505	1000	879	2858	2082	3166359	1066	0	1286	1057	354	1757	859	Organosulfur	0.375	1.5	0.0
6	C8 H12 O3 S1	189.058	189.05827	0.005740931	189.058	1188	903	826	1391	1568	1193	3225	2147	826	0	1963	3889	569	1174	1506	2227	2174	1235	1503	0	0	0	1012	821	1166	0	20917	4025	1446	3060	1957	1761	1033	927	0	1999	0	797	0	0	0	1420	0	0	0	0	0	0	1526	1219	1005	1560	1075	0	1525	474	1036	2245	0	0	1597	0	823	1114	941	949	1717	1932	0	0	0	0	0	890	0	1433	0	3430	869	2776	609	1174	0	866	2120	1070	1520	1062	1781	0	0	0	1512	1050	0	0	1521	1046	1371	1301	1366	1331	29837	0	0	1395	1131	0	1402	0	Organosulfur	0.375	1.5	0.0
12	C8 H12 O3 S1	189.058	189.05821	-0.016846325	189.05798	0	2081	0	0	1138	1127	0	0	0	0	0	1350	0	746	1881	1541	0	0	1422	0	0	0	0	0	1697	0	73323	0	0	0	0	0	0	2089	0	1134	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1434	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4798	5122	0	0	0	0	1661	0	1549	0	0	0	1125	0	0	0	0	0	0	0	0	0	0	1059	0	0	0	0	0	0	0	0	0	0	0	0	0	3225	0	0	0	0	0	0	0	Organosulfur	0.375	1.5	0.0
8	C8 H12 O3 S1	189.058	189.05824	0.019205827	189.058	1647	3115	1480	1807	2638	1393	9113	1002	1505	0	0	15712	3495	0	1028	2115	3119	2783	2788	0	0	0	0	0	1599	0	42400	0	1647	1795	1884	1615	1141	2093	0	2206	0	1002	2705	0	0	1265	0	0	0	0	0	435	1400	1296	2406	3707	1712	255	2495	1699	1385	2006	0	0	0	0	2420	33506	0	4862	4096	3100	0	0	0	0	0	1127	1450	1064	0	41350	1040	0	0	975	0	0	3227	0	2242	1338	2451	1917	0	0	1469	0	0	0	1739	2799	1373	3837	3621	0	345811	0	0	1054	2348	0	1096	2299	Organosulfur	0.375	1.5	0.0
2	C10 H8 O2 N2	189.06586	189.06615	-0.049668472	189.06584	6694	8268	7795	7938	8685	0	6609	12843	6182	3400	4204	7803	7096	7464	9006	17088	19371	9752	8473	2940	3143	5817	5980	11968	7895	807	7443	3575	14904	11202	13261	16264	21103	15027	3793	14136	15792	7333	21795	1558	1409	7298	985	881	1045	3243	1547	893	16705	8833	7964	7466	8171	1105	5586	4738	4990	19935	1161	2144	16775	931	8531	4681	4124	8459	10511	25109	1407	2542	1474	12221	15543	12095	10132	11518	790	7245	6518	0	4618	2267	1651	1137	7327	7368	8047	11882	11144	24406	2021	3082	16156	1355	1860	2005	7541	8281	6139	6412	6367	16336	8555	3113	1734	20671	5252	991	7286	7572	Unclassified	0.2	0.8	0.2
8	C10 H8 O2 N2	189.06586	189.06612	-0.020218248	189.06586	20830	23270	0	23641	15993	18194	18691	25607	12655	10741	5933	20446	10721	22969	18227	65529	44760	18063	24641	2702	3701	18474	21530	45086	23951	717	27681	9040	28010	18793	22455	34715	45844	32056	5925	22625	44988	21704	62973	1565	2049	22329	948	1170	1175	7038	1993	980	36439	19885	20806	21052	18469	1235	11437	6937	12220	42187	2699	1825	50099	0	19346	13173	10649	20712	19739	76917	0	3444	0	22172	21806	10829	28325	22984	790	13959	24715	0	21723	2674	2788	0	10266	10985	35264	30768	29578	105405	0	0	58117	4027	4967	1562	22270	18931	10579	8580	9231	33384	17070	3531	0	57742	5936	883	28043	17906	Unclassified	0.2	0.8	0.2
10	C10 H8 O2 N2	189.06586	189.06609	-0.06797405	189.06584	30923	34731	27875	26677	22139	23912	33674	40887	10716	14537	5802	27671	9100	36508	26892	79277	77473	18156	26856	2804	5466	26235	30590	66186	35060	0	47995	5473	37070	31495	33510	57331	64340	58056	4062	40155	59066	27032	89223	1904	3711	37611	1588	1612	1054	11707	0	1762	51210	30997	30640	32652	18405	1468	8656	3866	17902	74772	0	2450	87827	1240	8056	11625	14717	26342	25723	93052	0	3631	3537	36589	35451	17196	42707	41544	969	17733	56056	4834	36231	3517	3477	0	7825	13703	88737	48684	42047	187331	21630	11700	67520	3896	6572	1678	27670	22547	9349	5121	6098	59370	24170	4045	0	67709	7293	1432	40396	10746	Unclassified	0.2	0.8	0.2
4	C10 H8 O2 N2	189.06586	189.06615	-0.054233383	189.06584	13884	16465	14966	12676	9787	12076	6697	17216	8751	3589	5023	7527	8132	12396	12861	36812	33669	14239	15102	2585	2708	17224	29512	32040	20841	902	7389	11626	10859	12584	15359	13404	19499	16064	3339	13827	18791	16511	39339	1901	1299	24288	1568	1101	1297	11736	2242	1096	19093	11238	14238	10146	14394	1156	7952	5470	11681	37028	1545	1960	39431	1253	6943	8279	9267	10055	22060	40515	1925	4414	1782	9446	8702	6142	15560	9912	651	9040	24447	3859	18508	3998	1979	1497	8644	10523	30356	24963	27313	67967	10383	4881	55570	3826	2918	2352	13057	14532	5851	5846	8515	21380	10912	2871	0	44331	4523	1428	22798	9428	Unclassified	0.2	0.8	0.2
12	C10 H8 O2 N2	189.06586	189.06609	-0.026306678	189.06584	6849	6475	7588	10317	2396	4604	22301	12619	2756	1630	2486	8966	1673	6046	9519	26918	31398	4734	7355	0	1915	4587	10408	18256	13158	0	20894	0	12532	15210	9035	16260	13831	12968	0	12757	14596	12844	43002	0	0	9129	1164	1523	1062	2438	0	1375	18163	11000	10254	9486	7018	1153	2840	1419	8219	19697	0	0	23006	0	2745	2587	5769	5004	9041	29429	0	0	1663	13258	13244	8766	28801	15034	684	11853	0	0	15921	2718	1783	0	3728	5390	39553	13434	11062	60903	6617	4532	18696	2681	2461	1389	8065	7378	4116	1097	1548	20333	9737	0	0	17613	3545	1268	26829	2312	Unclassified	0.2	0.8	0.2
6	C10 H8 O2 N2	189.06586	189.06612	-0.023039894	189.06586	28579	41346	27513	34171	15350	20648	30922	46281	13390	15500	5908	17867	9247	20639	34383	109242	70718	22058	28340	3572	3692	22944	44207	87659	41603	703	32752	5001	43310	30231	42169	53949	64687	51999	10904	38165	64436	33889	103996	2925	2276	30020	1348	1146	1010	20314	3023	978	52698	30996	35481	32875	24880	1135	11534	4962	16048	102746	1601	3721	91806	0	14663	11819	13302	21408	31171	87276	0	8043	3286	28659	30317	17988	31082	30350	565	16042	41167	5586	36335	5086	3203	1117	8255	17677	55553	56103	43772	151791	36174	47674	76658	2608	6061	1425	32247	35825	6411	7091	9176	62910	21185	2993	0	99599	6426	840	49480	13190	Unclassified	0.2	0.8	0.2
10	C7 H12 O2 N2 S1	189.06923	189.06946	0.06376122	189.06924	2206	0	1133	0	0	0	2094	0	0	0	0	3562	0	0	1333	6003	15740	0	0	0	0	0	0	0	0	0	3697	5846	0	0	0	0	0	0	0	0	1970	2798	26186	0	0	0	0	0	0	0	1728	0	0	1265	0	1185	0	0	0	0	1378	0	0	0	0	0	0	0	1539	0	0	43982	0	0	0	0	0	0	9170	0	0	0	0	0	1581	0	0	0	0	2353	2003	1599	0	3294	0	0	1964	0	0	0	1147	1108	0	0	0	2393	3309	0	0	1129	0	0	2870	0	Peptide	0.2857143	1.7142857	0.2857143
8	C8 H12 O5	189.07574	189.076	-0.060307406	189.07574	15261	16028	11142	15058	18914	41620	10353	16814	20000	3024	15648	10847	33724	25764	19364	11916	16259	26651	22834	6420	2158	6555	13551	11462	10167	2568	9653	36411	20677	16249	66142	18183	20872	21609	8045	17323	20675	14525	19243	2427	1931	17245	8845	5171	7807	5541	3544	6176	20953	13615	14749	14815	17381	10364	22987	16622	15796	12476	5184	2740	11676	1590	27274	14934	23657	34887	24848	15068	0	5478	2830	20856	17319	18594	11253	16228	5485	12016	10185	43179	7227	5408	8218	5864	16375	28437	13220	19992	19228	8790	0	9879	12659	16691	2741	6673	15231	15151	18089	17989	25170	19587	14286	6165	0	12570	16033	5939	7657	28595	Unclassified	0.625	1.5	0.0
2	C8 H12 O5	189.07574	189.07605	-0.07131749	189.07573	20020	20478	18083	22686	12419	1720017	11736	14393	13404	3251	4071	13448	20995	14948	8592	5598	6651	18428	12443	3771	3803	6391	7405	9930	4180	1821	3180	1779	14410	7926	9628	11161	12929	13971	4250	11033	15554	6040	6761	2461	2266	29260	2699	2204	3315	5421	3638	2252	14386	6094	19606	19672	7175	3207	9091	9171	4899	11199	2748	2529	8494	1684	14037	7746	5120	18188	9058	6823	3640	2311	4009	15927	15133	11469	2263	10325	2640	8868	5401	2367	5622	3988	3257	2179	10599	6299	4327	13960	11381	5085	13080	4737	11879	1612	2519	3718	19544	24124	8175	8869	13251	15655	29168	3176	3684	11308	6868	2138	3872	15488	Unclassified	0.625	1.5	0.0
2	C7 H12 O4 N2	189.08699	189.08728	-0.01278689	189.08698	5538	5043	2926	4783	4534	0	2709	5740	3738	1266	2790	3640	6763	3494	2882	3216	4185	5548	5639	733	1297	3844	3593	5659	1772	0	0	19231	7767	5563	6115	7683	6446	7682	2784	8131	5888	3164	5084	738	0	5572	553	400	0	1997	368	1803	7204	5306	4930	5007	4771	567	3162	2413	3143	6954	1278	709	3455	338	5357	3563	3359	7705	5647	5020	0	888	0	5113	6619	4428	935	5899	0	3339	2102	23701	27679	0	742	0	2667	3123	2146	8774	7275	4269	17881	7732	5590	4518	0	0	4367	4156	2204	2487	15616	4760	4205	1659	462	5224	2687	1893	2335	6346	Peptide	0.5714286	1.7142857	0.2857143
0	C7 H12 O4 N2	189.08699	189.0873	-0.20252723	189.08694	3336	3489	3254	2580	10315	19573	0	9901	6449	1089	0	2455	17719	14972	2335	0	2285	14694	10965	0	5027	9180	5559	5337	8446	0	0	2274	19189	2066	12339	4389	36528	9162	5001	3240	7995	2263	4005	0	0	5839	0	0	0	2893	0	0	6095	1966	4878	3280	12002	0	8027	3535	1557	11931	620	0	2609	0	23359	4741	1694	10808	30790	2931	283	0	0	6530	8245	3138	0	5556	0	4294	4037	2930	3226	0	0	0	2529	1462	4610	8351	11076	5973	7022	5247	14092	999	0	0	4216	3057	3256	2311	2689	3683	3469	0	0	11928	3305	0	2648	31926	Peptide	0.5714286	1.7142857	0.2857143
16	C11 H12 O1 N2	189.10223	189.10237	-0.03301103	189.10223	0	1768	0	0	0	0	0	0	0	0	1587	0	0	0	0	0	2648	0	1836	0	0	0	0	0	0	0	1054	0	0	1580	1490	0	2168	2592	0	0	0	983	2222	0	0	23305	393	390	0	0	0	0	0	1072	0	0	0	0	0	0	0	2002	0	0	0	0	0	0	0	0	0	2956	0	0	1413	2790	0	0	1686	2371	0	0	0	0	0	0	0	0	0	0	1556	1107	0	0	0	0	0	0	0	0	0	0	0	0	0	2786	0	0	0	0	0	0	1440	0	Unclassified	0.09090909	1.0909091	0.18181819
4	C11 H12 O1 N2	189.10223	189.10252	-0.09321067	189.10222	6285	7801	6366	7341	4484	6363	3872	6235	2595	30167	32119	4165	2402	3820	5251	14160	10786	4556	5297	23128	26113	5020	5384	9979	8312	2296	6101	95607	6631	5248	6635	6214	8884	8332	20852	7329	9845	4029	9954	7768	7343	6468	0	263	318	5245	8046	336	7823	6553	5966	5538	5605	331	2317	1399	2843	7194	648	1938	11316	3349	2271	2141	2266	4093	5909	12990	1492	2829	2998	4914	5283	4351	9007	4376	0	4934	5867	15799	5510	2452	1093	6310	1395	2069	6892	6723	6238	12402	9636	2503	12792	6445	9496	630	6376	7240	2162	1999	1140	7527	3421	3110	0	9655	1729	286	4716	2925	Unclassified	0.09090909	1.0909091	0.18181819
12	C11 H12 O1 N2	189.10223	189.10246	-0.002231367	189.10223	3828	5154	3227	3881	2124	1152	8944	3236	0	3583	5958	1255	0	1080	1964	8507	7042	2033	0	4128	3136	0	1161	6592	5751	0	15929	0	4338	5689	4654	8210	6569	6912	2864	4844	5082	3919	11874	2092	0	1937	402	0	348	1846	0	456	6686	4876	5362	2040	1527	0	1175	0	905	8603	0	0	0	0	0	0	1603	0	1925	8219	0	0	2196	4238	5159	5974	23752	4866	0	1170	3429	0	3469	1709	0	1896	851	1192	5151	3008	2928	16539	3565	2384	5771	0	3696	0	2205	5231	0	0	0	4297	2407	2366	0	6307	0	0	7636	0	Unclassified	0.09090909	1.0909091	0.18181819
4	C9 H16 O4	189.11214	189.11243	-0.096431114	189.11212	3436	4190	2727	4245	3634	2262	2882	14787	1126	2416	2373	1644	3970	15406	1466	3659	3583	2850	2546	850	1033	1069	1110	2590	1951	899	2559	0	5164	5839	7022	5247	3929	17192	1454	5044	5186	1204	3731	935	841	2449	1283	447	746	1283	1085	470	6389	11276	3496	3497	2787	911	1408	1717	1284	4044	1151	572	5438	0	4693	857	3405	3168	5287	2780	0	1371	0	22737	14920	11978	1974	0	392	1927	935	3745	931	1186	3347	5973	1923	1518	2151	8751	2507	3438	38358	12210	2490	1242	1767	861	3383	5046	1554	2475	1654	4889	2090	1105	8375	2955	1855	492	1307	2882	Lipid	0.44444445	1.7777778	0.0
6	C9 H16 O4	189.11214	189.11241	-0.056454282	189.11212	7730	5640	5758	5707	3013	4953	10472	9395	1841	4152	8208	3356	5199	18101	6190	5952	6171	4736	3080	1212	3248	2722	4745	4744	3801	2977	4969	8450	7950	7055	5199	7330	8433	9341	2236	9855	11477	4284	7590	0	1539	5309	2674	600	836	2801	2181	622	7249	6048	5646	5839	6017	1532	2372	2915	4468	5198	4914	1945	10143	0	5334	1349	6641	7257	11902	9513	0	1534	2830	9897	9266	10890	4421	6437	587	2852	2964	20096	2541	2039	13229	17957	1563	5353	12144	3895	3373	6557	97758	35278	5907	4852	1486	564	5170	7019	2198	1660	2918	10904	4897	1977	48739	6476	1997	542	3321	3867	Lipid	0.44444445	1.7777778	0.0
2	C8 H16 O3 N2	189.12337	189.12366	-0.14427823	189.12334	67234	76067	62521	70399	12022	112524	1157	19065	3208	15162	85495	4174	8739	8353	4820	3187	10915	28682	12170	1061	1358	14226	3446	20565	3862	0	0	406467	22599	12025	23011	23171	27310	19995	8595	14480	20235	6217	16262	1412	637	46812	338	0	0	2908	919	0	25161	8985	66926	75965	9961	552	2968	1430	2235	45721	343	750	3584	0	17089	2727	7669	13685	15822	9753	0	1811	477	16790	19189	12471	1031	14817	0	4965	3939	1229422	2839	0	655	0	2643	4098	4910	15739	29091	18795	1357303	740684	14113	314130	2137	0	68216	58222	15652	2439	3790	17918	6264	6871	302	24402	2922	0	3242	15762	Peptide	0.375	2.0	0.25
10	C8 H16 O3 N2	189.12337	189.12361	0.10588102	189.12338	1126	0	1136	0	0	0	0	0	0	0	1382	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7348	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9619	0	0	0	0	0	0	0	0	0	0	23475	6480	0	1675	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	2.0	0.25
4	C8 H16 O3 N2	189.12337	189.12367	-0.046055935	189.12337	1400	1204	2100	1049	533	1201	0	644	685	0	0	373	955	0	511	2010	1712	1592	843	0	0	991	762	1037	627	0	960	3222	0	943	0	0	753	714	0	670	693	617	2288	0	0	793	0	0	0	0	0	0	0	744	1019	1224	1240	0	414	590	562	1057	365	0	1261	0	649	599	0	840	645	1575	0	0	0	579	471	530	0	614	0	674	698	64400	521	0	379	0	850	1005	1273	1573	695	1787	50112	18536	1083	3598	0	0	1245	1897	743	506	622	1290	465	0	0	891	0	0	839	3505	Peptide	0.375	2.0	0.25
8	C8 H16 O3 N2	189.12337	189.12357	0.041208386	189.12338	1851	0	0	1478	0	0	0	0	0	0	0	0	0	0	685	1679	0	0	0	0	0	0	0	0	0	0	723	6185	0	0	1018	0	0	0	0	1097	1097	0	0	0	0	699	0	0	0	0	0	0	0	0	1643	1463	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1014	0	0	0	0	0	0	54043	0	0	0	0	0	0	795	0	0	2202	66098	19838	0	5165	0	0	0	1027	0	0	0	0	738	0	0	1047	0	0	0	0	Peptide	0.375	2.0	0.25
12	C8 H16 O3 N2	189.12337	189.12349	-0.11711058	189.12335	0	1481	0	0	0	0	0	0	0	0	2818	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	54969	0	0	0	0	0	0	0	0	0	0	0	0	0	0	936	0	0	0	0	0	0	0	0	0	0	397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	893	0	0	0	22816	0	0	0	0	0	0	0	0	0	0	30103	15775	0	0	0	0	1532	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	2.0	0.25
6	C8 H16 O3 N2	189.12337	189.1236	-0.010065114	189.12337	3304	2258	2127	1547	0	595	968	774	0	0	0	801	566	373	693	2219	828	644	930	0	0	622	541	1353	0	0	1046	6631	1806	876	1512	1103	0	1000	0	1102	973	1007	1976	0	0	0	0	0	0	0	0	0	0	988	2697	3048	0	0	0	0	658	1877	0	0	1592	0	0	0	542	918	0	1622	0	0	0	637	841	1132	0	974	0	856	943	70337	608	0	434	0	739	0	959	607	807	1142	128346	38522	0	8923	0	0	2401	2425	0	0	486	948	1342	0	0	1142	0	0	651	823	Peptide	0.375	2.0	0.25
0	C7 H16 O2 N4	189.1346	189.1349	-0.0819345	189.13458	2941	2595	2363	2992	7290	99395	0	3859	2544	2041	0	0	34572	41279	1186	0	0	22191	7169	0	3782	5858	2118	2011	6308	0	0	2421	24191	0	4990	3225	25891	2316	35695	2356	8243	0	0	3985	0	2405	0	1814	639	0	0	4155	1661	0	2418	3096	2994	12328	2645	755	0	0	0	0	0	0	10668	0	0	6403	12443	0	0	24836	0	0	2525	0	0	0	0	1538	0	966	0	0	0	0	0	0	0	4013	2681	0	88848	28097	5868	0	0	5639	1914	2954	702	0	0	2303	0	0	0	5988	617	2341	0	34196	Peptide	0.2857143	2.2857144	0.5714286
6	C12 H16 N2	189.13863	189.13885	-0.09238801	189.13861	2853	4431	2782	5230	0	0	683	9536	0	3644	2843	869	0	0	2302	29591	2721	0	0	4722	4752	849	3836	41623	9049	1003	937	4389	2197	2871	3442	1398	1365	2917	2154	1687	935	2011	2660	0	0	0	0	0	0	2084	1615	0	3692	2941	2760	2731	0	0	0	0	0	14039	0	0	19439	0	0	0	0	0	0	6560	0	0	0	4384	2147	827	2391	1711	0	1146	4476	0	3792	0	0	1287	0	0	6520	940	0	56502	3585	0	63698	571	1766	0	3051	2990	0	0	0	1731	530	0	0	22282	0	0	4330	0	Unclassified	0.0	1.3333334	0.16666667
2	C9 H20 O2 N2	189.15976	189.16002	-0.069192	189.15974	3488	3973	4427	4097	916	0	12777	959	506	0	0	4773	1042	3947	30228	901	15098	5836	21419	0	0	1187	571	1541	6693	0	64904	0	2352	705	1350	2649	3268	1767	523	1910	3620	30173	16324	0	0	0	705	0	0	0	0	0	2057	715	3713	4965	1194	0	0	0	0	5035	1105	989	858	0	891	0	0	2651	2911	18424	1212	254	0	845	1392	872	1719	1494	0	2664	419	0	792	0	1987	0	134424	14632	687	1778	3854	4312	0	0	5029	0	0	0	3112	3567	0	0	0	2728	3715	282	0	3737	0	0	7638	2313	Peptide	0.22222222	2.2222223	0.22222222
0	C9 H20 O2 N2	189.15976	189.16005	-0.20535655	189.15971	2127	2336	1887	1601	3827	0	0	3359	1774	0	0	0	4499	5521	1534	0	2561	5353	4149	0	1013	4259	2953	2755	1525	0	0	1007	6299	0	27298	3851	13560	2509	0	2674	4332	1364	3971	0	0	2553	0	0	0	0	0	0	3391	0	0	0	4460	0	3871	1015	0	4944	0	0	2251	0	2383	1387	0	2557	7271	1738	0	0	0	2437	2879	0	0	0	0	1048	3106	1290	1327	0	0	0	29712	1224	3096	3872	3135	4529	3645	2337	6889	0	0	0	2001	1956	835	1115	0	3170	0	0	0	6145	1304	0	1846	6728	Peptide	0.22222222	2.2222223	0.22222222
26	C14 H20	189.16377	189.16399	-0.045200523	189.16377	67062	73503	69242	63672	70283	32936	209252	65005	51572	31775	60510	36808	44354	98804	68491	94750	87616	42617	78341	48457	45852	72402	39269	54932	70311	49639	201084	100381	51891	57181	44399	50509	58389	37576	46254	62317	51605	64823	105803	41883	46416	59419	8469	5476	0	42082	43876	5868	55175	48039	76086	65466	60469	9698	54535	59926	54793	103744	42473	50952	98508	30634	57501	38023	71213	58210	85054	100168	45280	43219	44302	28171	39784	50248	57628	60202	0	39466	88365	143725	51565	64858	76363	69227	63076	60291	191211	39784	49327	258486	186695	131660	122387	64856	64151	9462	69688	67200	62064	75245	85248	71727	36872	59376	64150	58720	61079	0	83075	40140	Lipid	0.0	1.4285715	0.0
28	C14 H20	189.16377	189.16399	-0.06325349	189.16377	20915	19409	17231	18858	22531	14263	47204	21865	16208	8874	17191	13208	17750	24295	15077	25380	24861	13977	24792	11229	11927	21512	15184	16760	24935	18920	43906	26977	18619	21023	16465	21527	20851	14978	12727	23233	14070	20837	23508	10765	15738	14477	6155	5566	8086	13707	12194	4877	19116	17696	22286	19284	16805	6483	15683	20129	15818	31583	12671	14106	24911	10258	15937	13584	19193	21938	23810	25451	23124	20201	26403	12493	12899	20669	16241	18659	6129	14047	41829	46386	15560	17330	19891	17773	27674	17206	75510	11235	17992	141827	44204	39121	41935	21138	16662	4973	20907	20786	18527	30915	39312	25061	15682	18436	13705	22709	30396	4987	25663	10312	Lipid	0.0	1.4285715	0.0
20	C14 H20	189.16377	189.16397	-0.07452061	189.16376	50778	53386	45556	45305	53412	36593	184379	40049	24620	21929	24054	26630	38923	122693	26968	64868	75233	32915	40746	31465	32011	60535	26562	35784	40941	61614	205384	37379	32789	35442	28264	34910	40966	28951	27934	37671	43880	29274	70573	21095	49156	38701	8321	2562	1672	24954	49809	2464	33057	33738	53115	61167	34417	3224	26480	49905	40658	67248	22921	52489	56477	14761	52895	27097	62920	39434	65785	72245	28008	35016	53877	23843	30030	38685	67024	41537	2627	20829	50332	84905	33865	30924	128195	185851	48390	33402	75842	32975	40561	240779	121755	82646	98771	45040	45826	3271	48059	53824	43245	53683	67341	45268	27754	34056	28701	50838	43598	2189	46541	34476	Lipid	0.0	1.4285715	0.0
18	C14 H20	189.16377	189.16399	-0.070122905	189.16376	27054	28115	22614	21785	24009	14136	201774	21776	9663	7562	10922	12614	11873	67355	11765	30797	35662	11825	17544	9689	11452	29349	13605	18423	18150	56533	218449	18947	10994	14793	13896	19589	18452	13110	10836	18761	15011	17037	38332	9371	24938	15413	5778	948	841	8532	19647	1696	18511	10980	26022	33627	21133	1594	11561	25807	18427	32048	6990	25841	27868	8051	26100	9545	43145	20266	36586	34898	18431	8886	24367	9469	10301	16264	25004	17192	1023	8667	24574	41372	15752	19409	89508	339178	29540	16781	31218	14007	14484	129907	36643	36804	50880	20437	24727	1544	23936	23676	22946	33384	45307	17870	9659	12387	8458	22556	17585	1148	26069	13516	Lipid	0.0	1.4285715	0.0
16	C14 H20	189.16377	189.164	-0.033159073	189.16377	5505	9086	7069	5639	8840	3102	17047	6632	7331	1897	4055	4678	4311	9782	5600	11186	14858	3874	5624	5107	3239	7847	3629	4898	6053	6605	18113	2102	4518	4097	6481	6095	6906	2243	0	5761	3577	2577	9892	1383	3737	5265	1743	543	523	2162	4558	1444	4538	5320	6083	9492	3335	849	2030	11021	7058	9860	1834	6049	7798	1252	4553	2012	7882	6565	5414	13336	2791	4969	5166	2574	3137	5694	10627	6090	577	3329	9849	13136	3224	6544	20440	25200	11940	7174	15175	3807	5136	59378	13096	14119	0	5137	6758	972	10364	10076	6482	17995	23556	2823	3897	2088	0	0	11493	847	10035	0	Lipid	0.0	1.4285715	0.0
14	C14 H20	189.16377	189.164	-0.021871267	189.16377	6279	4587	0	2933	5146	0	3490	3070	2649	0	0	1517	2332	4826	3901	2954	3300	2066	2990	0	0	0	1959	0	2122	3247	7005	0	2262	1632	2019	0	2870	0	0	1871	2030	3008	5351	1492	0	1572	0	729	767	0	0	965	2110	3486	2977	1890	3312	635	1880	3265	3012	6808	0	0	0	0	2157	1638	2612	2639	4049	5888	0	0	1834	0	1866	1746	4166	3796	635	2258	6707	0	3055	0	5156	4896	9416	5187	7892	1940	1976	30241	4790	3540	6589	0	2799	764	4803	0	3399	10016	10868	2043	2836	0	0	5292	6105	606	3216	2626	Lipid	0.0	1.4285715	0.0
12	C10 H7 O3 N1	190.04987	190.05011	-0.045115013	190.04987	25350	24214	20948	25558	16208	14881	12215	9750	12086	42298	66866	11583	11389	10450	8435	35294	13735	14715	15583	5529	2405	21206	11629	37021	9111	2395	14743	25362	9843	16245	17189	16861	18595	25507	8774	14252	22201	9677	17493	4260	3922	23054	2714	3197	3975	9398	3394	4471	19493	11590	24495	30026	15999	3590	7921	6257	11554	44996	0	0	26801	0	17455	10057	8013	17701	15771	20431	0	4402	2407	13495	11076	10687	16453	17070	2361	8840	14070	31917	16393	7122	4546	3094	8014	9182	22371	21910	17741	54183	214389	114630	47184	11234	30108	4297	24352	21912	9210	8833	8881	26318	11956	2665	0	35011	7580	3896	14763	16778	Phytochemical	0.3	0.7	0.1
8	C10 H7 O3 N1	190.04987	190.05013	-0.041544642	190.04987	8713	8875	8718	10859	14731	15257	7557	7159	15373	6550	4454	7931	15505	15745	7417	10304	13490	20284	26682	4314	2423	10675	11087	10804	7909	2012	10564	4495	9866	6945	7906	8919	16797	6956	6536	7502	12178	8472	15110	4017	2757	11493	2722	2640	3711	4518	3456	3341	12309	4826	10539	12110	16553	3314	12523	8650	11214	13312	3878	3932	13302	2705	27484	13067	10244	23964	12921	13215	0	2737	3094	5133	6303	5125	5432	9468	2532	6026	17370	5653	12554	5478	3953	3059	16576	9535	15951	16718	16908	24363	0	0	16542	4423	2564	3960	8893	9497	11086	14197	13467	12225	9047	3608	0	14420	10041	2864	10851	25810	Phytochemical	0.3	0.7	0.1
10	C10 H7 O3 N1	190.04987	190.05011	-0.03829476	190.04987	10350	10688	6974	7728	16815	9441	10955	10976	10641	4321	4820	8858	17176	12601	8445	10959	10835	12406	16488	3394	4624	8925	7904	12288	8532	2208	11503	3465	5563	5579	8429	6313	13785	9143	5076	6841	14240	6943	14018	2841	3798	8422	4254	3776	4237	4327	3314	4488	10043	5272	9270	9431	15219	3608	11286	36542	8924	15323	2662	4385	9157	1957	14941	10965	8792	19316	9616	14628	0	0	2064	7246	6408	5788	8160	10705	3575	4553	12312	0	10340	5394	3798	2272	14944	9261	12773	11351	10099	18164	4569	4609	16702	3701	3636	4694	8156	9629	10226	30273	17778	10596	8492	3873	0	10246	9689	3521	10761	12734	Phytochemical	0.3	0.7	0.1
14	C10 H7 O3 N1	190.04987	190.0501	-0.08645937	190.04985	477173	429734	507738	494360	232107	1045644	455820	522827	114137	1148873	103805	406383	109049	264273	401486	631951	600591	204338	272815	18217	28973	468767	460464	693297	278649	4510	505048	59490	310984	303739	579890	514056	729677	571877	490641	313251	724473	486937	630446	18149	17932	339901	7380	7041	5014	118551	18714	6824	797131	350593	494805	482336	451312	8302	50636	44030	170325	971491	5988	13686	397431	2659	154445	149816	182258	483994	408842	779377	17028	28059	28328	543382	266005	164106	233850	379457	3793	305461	848213	175949	616747	53832	21048	12592	96344	120144	1259170	644921	648206	1782968	1692319	1043794	912527	179341	246112	12036	489107	367617	85034	143873	106331	435237	318205	19607	0	871365	56551	6709	569565	105288	Phytochemical	0.3	0.7	0.1
16	C10 H7 O3 N1	190.04987	190.05008	-0.06991098	190.04985	8649	12425	9187	11312	13743	39258	11235	73362	6988	13137	5291	13658	10931	18160	26468	22474	20710	4446	10685	0	4433	15140	16346	20683	16370	2170	11152	4808	12039	13136	16804	10601	11063	16531	9609	10719	13201	15654	15155	1535	1685	9351	3398	4359	4431	4857	0	3956	19141	68683	10085	12156	14995	5876	2909	4701	7527	21543	1991	1567	13280	0	6917	4732	10102	16272	21838	13862	0	0	0	16867	5742	9809	6386	7085	3482	10025	24253	10187	16013	3975	2107	0	5526	15601	32314	34280	14044	39455	35348	39698	0	5728	9811	5024	12594	8790	4611	8151	4885	11956	7409	2031	0	17060	2992	3830	18353	10479	Phytochemical	0.3	0.7	0.1
4	C7 H11 O5 N1	190.071	190.07129	-0.09533834	190.07098	18657	18233	17170	18143	18161	25674	9433	21419	15658	3357	3479	11788	32529	15540	14090	30727	28399	29872	24103	6901	5048	20056	16420	25691	15105	807	9287	4000	21553	13571	18559	21526	27125	20534	9300	19522	25800	11762	30923	3914	1255	15465	2012	1440	2189	10110	2179	1968	18211	14665	16889	15824	18057	2757	17010	10998	7598	32026	5389	2911	28490	1332	33124	10606	7174	25873	12758	26932	1861	3479	1792	23347	18349	21241	6827	14290	1229	12925	16359	3666	12461	5898	4059	1690	8379	9631	18779	16470	22134	42211	11030	23820	47440	2556	3483	2769	16930	19925	9001	8994	12107	22281	13449	7161	3686	26471	8809	2146	13126	36975	A-Sugar	0.71428573	1.5714285	0.14285715
2	C7 H11 O5 N1	190.071	190.0713	-0.05990399	190.07098	18142	20218	15942	20024	25400	47911	10817	26796	17570	5465	5213	16934	46122	18165	15272	8545	17258	43954	29784	6270	9361	16626	18890	24812	8287	663	3191	2733	36478	18429	27336	28897	37211	50689	8786	26941	36144	12458	18229	4738	1834	26653	2076	1109	1416	9534	3593	1260	31492	15687	19511	23115	25509	1886	20987	11056	9351	29212	4508	3561	16286	1169	33505	18102	9118	49048	26964	20573	1542	3570	2233	58073	46678	24645	2597	26557	1198	15713	13642	3856	12173	5346	3787	1529	13834	10445	12625	41042	30187	14969	8315	8070	27387	2673	2517	2199	20823	21819	10193	9732	15142	22529	16917	7848	3571	27236	10439	1792	9955	42729	A-Sugar	0.71428573	1.5714285	0.14285715
18	C11 H11 O2 N1	190.08626	190.08646	-0.055052172	190.08624	8194	5404	7627	6622	8706	6986	8085	8096	4323	0	9632	4551	4621	8662	9090	9095	8130	7210	3778	3183	2194	6148	7819	8968	6180	0	6889	108136	6002	5851	6044	9981	10173	11068	2897	3044	8007	7767	10960	3020	2231	9001	4477	3912	4164	3780	0	4643	10294	4252	5731	7526	6472	3426	3387	4414	6977	13313	0	3289	7927	1825	2621	2918	4599	9007	5333	11286	1182	0	1617	6722	5468	5896	5093	6899	3704	4335	7699	36359	9344	4760	5485	3605	4256	8400	5715	11654	9556	10776	36417	59768	13556	4850	2750	5234	7940	6711	4571	4403	5109	8003	5938	5961	0	6248	2320	3712	6940	7048	Phytochemical	0.18181819	1.0	0.09090909
12	C11 H11 O2 N1	190.08626	190.08649	-0.06832886	190.08624	46740	74376	54785	45696	46225	30319	55399	33211	30915	19053	17479	25314	21394	44551	27399	91479	70657	46376	56232	27506	16603	49633	28037	65631	38769	9433	77346	17348	56131	52309	52145	80789	115841	64998	21858	51525	120822	34873	82500	18001	21660	41492	5331	4658	4758	19848	18768	6365	79383	42189	66534	53823	40507	4323	20854	11137	25793	93905	7816	17735	60536	7234	43108	20372	22142	57846	34932	75716	0	12386	12005	51470	47704	38229	92557	73436	3513	26522	32297	21714	37418	16861	19750	12296	20922	25317	41279	62619	60738	101454	51167	33481	92085	11984	25144	4959	56194	51687	26892	21089	16199	88043	36790	32067	0	67722	21368	5648	38575	44382	Phytochemical	0.18181819	1.0	0.09090909
16	C11 H11 O2 N1	190.08626	190.08647	-0.051462796	190.08624	27529	24522	18064	21315	16534	54183	39824	20559	10422	5927	15481	21669	21943	21873	24311	40437	40991	63874	26568	6516	7717	13441	16217	36417	22412	3914	39332	11299	32941	25460	34577	37615	52922	31320	9355	31059	67595	19561	48156	5746	6011	27105	5215	4689	4686	10191	5376	6666	40390	21291	23600	26462	21756	4907	9533	5636	11933	47104	2979	10474	39611	4423	15640	11436	12516	29816	29467	58708	2555	2253	6426	30428	28303	18685	39205	29410	4191	12830	26620	21299	16576	10434	6470	7348	11597	15488	35167	43593	37761	58670	18391	13001	32310	7711	6726	7856	17519	22938	9045	8406	9110	49437	27718	5241	0	47804	8252	4400	35181	32108	Phytochemical	0.18181819	1.0	0.09090909
10	C11 H11 O2 N1	190.08626	190.08649	-0.06387974	190.08624	24139	29192	19786	18627	19207	14976	32624	26660	22072	15933	17254	18380	13898	17741	22129	46530	30171	28362	25407	17873	12333	23129	23738	37380	25305	8372	41967	24325	25253	26581	23759	23051	47552	23000	18091	23819	38179	20413	41706	16567	17609	20545	5471	5366	4835	17593	12248	5903	26036	22601	21849	24615	24007	4831	18151	11886	14828	44866	10927	18519	31479	7298	18361	15153	14804	20807	19145	45279	10461	12504	14512	21477	20331	17321	32328	24932	4312	16742	30643	17054	27038	15580	17374	10713	16381	18480	33786	28768	29116	54149	39067	33261	43590	14607	20675	5292	23423	23343	17709	13281	13976	35842	22436	17935	0	30189	13425	5300	33633	18265	Phytochemical	0.18181819	1.0	0.09090909
8	C11 H11 O2 N1	190.08626	190.0865	-0.06848039	190.08624	19017	23597	16637	22660	25768	20254	22281	21938	25919	12039	12912	16159	31377	19081	18555	25044	33142	25517	33873	12993	14885	22062	18285	22997	18678	8118	24314	16412	20116	19871	17443	22624	28075	19214	16273	19666	33747	17379	40447	16191	15564	18185	4367	3841	4603	14964	14071	4766	23343	19832	19077	26627	22259	3506	22213	24470	17014	21049	9986	14255	23989	7376	29854	19510	11738	25822	16600	37605	7007	8849	10014	16036	18095	14310	20434	24548	3299	14675	23542	15019	21728	16391	15704	11930	27383	18423	23776	21394	23000	43019	18118	14604	34349	13230	17630	5194	20204	17387	18482	34134	29446	27726	18669	17116	0	25578	17559	4304	23448	30803	Phytochemical	0.18181819	1.0	0.09090909
14	C11 H11 O2 N1	190.08626	190.08647	-0.07405329	190.08624	50412	47519	41878	48938	54591	50855	64589	68306	15743	13750	17319	38907	33894	98231	45130	86546	78013	64531	61144	19245	13895	30681	37446	67911	55974	5281	85253	23075	62808	53221	52913	65060	85253	54073	14774	55534	88111	33758	70507	14567	14587	56714	4169	4390	3980	22328	9115	5568	90628	47845	41006	43671	68707	4553	28014	18163	31358	102273	8369	15634	102114	4684	26261	26376	28096	48778	89427	111851	0	8534	10719	37325	52274	42745	62658	52443	3362	38331	26813	22119	39239	12434	16687	16750	17652	31219	43003	71297	83326	66682	36973	27226	81887	10994	13960	6081	49723	48036	17650	18369	26894	78640	33320	23972	0	81922	15880	4202	57091	39675	Phytochemical	0.18181819	1.0	0.09090909
4	C11 H11 O2 N1	190.08626	190.08655	-0.06842302	190.08624	17791	22738	16363	18956	18938	30655	24024	19864	23963	9521	10303	17376	17600	19898	22377	25921	20616	25904	25067	11621	11781	17948	21244	23995	29627	6639	39521	12938	19648	14470	19024	19965	25019	14570	15352	20517	20441	26288	24081	9905	8550	19589	4500	4381	5211	14946	13333	6228	20428	17403	19701	16669	20740	4986	21745	18853	22198	28850	5015	8755	20067	6983	18615	18531	21492	23067	16211	19910	8926	8795	7964	13179	13085	17035	15493	20402	3485	25435	47868	10142	43000	13059	9613	8980	18005	28912	43843	20203	24547	35671	15817	9793	33684	9362	11241	8687	17024	19465	125778	26978	27909	26627	28405	9923	9170	22224	23168	5845	44041	17713	Phytochemical	0.18181819	1.0	0.09090909
2	C11 H11 O2 N1	190.08626	190.08656	-0.055844273	190.08624	25802	27600	18189	23535	22035	42357	23835	33690	20276	16895	17077	18711	16289	27322	24582	34562	19908	24027	27990	16991	16934	20905	15175	31970	43924	5392	49371	14208	36150	27280	27748	38842	36491	21900	19570	32772	33397	17063	19177	13711	10153	28379	3794	4425	4778	17056	11903	4571	29209	20919	24184	26293	20264	3763	21341	11715	16199	43719	3769	9785	29643	5317	17208	21290	12095	23225	54403	23094	7434	11274	8022	19261	25001	29656	19721	35090	3501	33699	22474	9504	16797	10504	8048	8379	11407	14933	20234	22001	34524	33813	17150	12713	47452	8436	13477	7302	23159	24065	36318	14774	15109	39879	19718	16865	7849	32481	11818	4380	26332	19397	Phytochemical	0.18181819	1.0	0.09090909
6	C11 H11 O2 N1	190.08626	190.08652	-0.07388842	190.08624	17378	17842	12879	12602	13785	18960	15764	17952	14943	8481	10554	12476	9925	10708	15259	22564	17575	17447	19650	11434	10089	16082	13784	20773	12770	5092	16948	11775	13582	14298	16744	16897	23614	16870	13330	14497	25048	13470	28427	8845	12631	16940	5258	4031	4081	12945	10885	4146	17578	11727	15072	15806	14510	4103	13943	9329	10726	22653	7324	11204	17967	6747	13736	11483	9897	14802	12438	30422	5746	8531	10017	13199	14611	10104	9647	17364	3256	10485	13586	8369	13334	12547	10610	6411	10193	11537	18144	17689	17800	27575	13654	11946	27338	8393	10679	5021	15603	14166	14408	12076	11324	22252	16508	13333	0	19955	7559	3988	16037	14207	Phytochemical	0.18181819	1.0	0.09090909
4	C10 H11 O1 N3	190.09749	190.09778	-0.06062176	190.09747	4505	4579	4561	3880	1413	1326	2519	2739	937	5303	8664	2483	1062	1818	1660	3659	4183	2046	2027	5720	6768	5252	7520	6434	3225	0	2765	13748	1747	1601	2334	6541	7126	3919	5794	2432	5171	5764	22941	2292	3316	2411	0	0	0	4094	3356	0	4632	2284	4311	3896	2268	0	681	568	1682	10665	0	816	4936	998	1164	1283	1087	2581	1708	21025	0	0	0	3408	5101	1198	9624	5735	0	1991	10616	4653	6344	1122	479	2604	1147	767	12753	5118	2647	25611	2272	0	12578	2785	2975	0	4082	4027	1580	451	707	5990	3648	932	0	5564	867	0	4289	760	Unclassified	0.1	1.1	0.3
6	C10 H11 O1 N3	190.09749	190.09775	-0.025195384	190.09749	2364	1649	1838	1367	3096	2239	1688	10520	1034	5292	3801	1084	791	1210	5146	6116	2798	3677	4260	3471	3139	1865	1366	2740	27103	0	1350	6414	2444	1629	1737	2415	2538	2995	3260	1623	2349	1775	4714	0	951	2819	0	0	0	0	0	0	2609	7756	1984	1953	3356	0	1110	0	1404	4321	0	1580	3729	0	0	1072	1056	2357	2826	3598	0	0	0	1809	1306	981	1289	1742	0	712	2401	0	2269	375	366	0	725	0	2819	2096	2012	11420	0	0	9578	1341	1545	0	1903	1185	657	0	0	2527	1359	0	0	3799	900	0	2564	975	Unclassified	0.1	1.1	0.3
8	C10 H11 O1 N3	190.09749	190.09772	-0.08110309	190.09747	14685	13065	14857	15370	764	4270	3831	10877	832	3385	1924	10067	0	1822	18050	76131	28717	1608	2178	2602	3129	1739	42253	47329	14541	460	10623	2418	25859	16294	16869	40469	43300	36752	3115	30791	48321	21670	32958	0	1386	11468	0	0	0	4824	0	0	21815	7583	14931	14324	5793	0	0	0	5426	71269	0	1722	61793	0	0	854	5926	1170	8333	40370	0	5090	0	14523	18615	9898	22019	14764	0	9123	11030	0	26912	552	677	0	1151	0	19500	12477	8093	59338	0	0	61336	1434	1414	0	14149	10470	1183	0	0	36150	7129	0	0	108476	0	0	13472	0	Unclassified	0.1	1.1	0.3
0	C10 H11 O1 N3	190.09749	190.09781	-0.19933563	190.09746	2323	2154	2465	2218	1520	0	3159	4059	1623	3775	6748	3272	0	0	3327	0	10200	3676	3057	2757	4595	3099	4986	3798	2178	601	1996	23316	3560	1959	4348	2744	4908	4445	3547	2218	4381	4789	9711	2074	2378	3866	0	0	0	2434	1655	0	3218	3040	2642	2133	2552	0	1203	502	2266	4602	675	1248	2514	712	0	1896	2686	1443	3323	9676	552	0	0	3532	3886	2846	2148	2088	0	2295	5399	6025	5217	1693	1524	0	1173	3177	4560	4959	2596	8330	0	1272	9964	1589	0	0	3169	2590	1318	729	0	2200	2202	1802	1055	7391	1219	0	5335	1325	Unclassified	0.1	1.1	0.3
2	C8 H15 O4 N1	190.10739	190.10768	-0.106631905	190.10736	51187	54681	46399	52699	71502	64163	21746	66352	56635	13452	11420	29145	82238	54661	24878	48338	45564	96903	121717	12919	11357	31196	35128	48562	15701	1390	36700	8754	77973	51555	86214	70258	98398	86491	19817	65368	88077	30657	53488	7105	3061	67871	5252	1175	1685	15641	4141	1165	81221	46018	46492	48771	82258	2519	51841	21844	40599	72438	4754	5063	43571	1552	73803	64237	76065	94146	92199	50256	2317	6032	3354	77865	85885	63363	23519	66815	1240	28174	15607	0	19694	5401	4668	2677	28582	62973	17283	95043	135388	25028	18577	27969	51586	2750	6335	2966	48681	54233	40802	23006	25813	59452	32673	11565	4530	59778	32841	1029	15507	108787	Lipid	0.5	1.875	0.125
6	C8 H15 O4 N1	190.10739	190.10764	-0.07428547	190.10738	14918	12998	15465	14793	15067	14737	9623	33903	8528	4515	5289	10260	18002	17574	16964	22662	15156	20522	16667	5210	3780	8628	16696	18688	7093	5079	8615	4338	36356	30569	28255	34369	26595	43829	5117	31102	27868	16532	18963	1884	644	16115	4566	1563	1779	9197	1675	1249	26978	23473	14800	13843	14091	2749	8791	5722	7182	24806	2230	3030	34139	0	18314	5771	8889	34296	22760	17794	2002	5413	0	25971	29771	35774	13197	26897	1292	10459	6085	9150	10699	3577	10864	12098	5590	10044	14993	24998	15857	16595	6946	13640	17456	3163	1809	2125	12728	15183	9014	4468	9353	30533	15136	6759	0	19448	7660	1610	6523	19523	Lipid	0.5	1.875	0.125
4	C8 H15 O4 N1	190.10739	190.10768	-0.07863772	190.10738	46915	51040	45903	52887	40748	52255	37300	80748	26254	19577	22708	43870	35899	26620	35529	79785	103516	68422	92831	14616	8626	28609	30864	77151	22007	1418	26997	20262	83233	0	88557	87861	92548	89624	21628	64383	96797	40443	100310	5495	3649	79424	7656	1926	2080	23881	9578	2087	101136	70846	54609	47762	70211	4886	24178	11050	33594	79210	6086	13576	71479	2081	27362	28701	34580	65120	0	95767	2512	6094	4816	72792	63449	69497	42800	0	1473	37716	18942	12103	22518	8204	8559	5801	19005	36834	22908	97750	129784	42813	25650	24594	49944	5677	7538	3107	52174	50118	18058	11559	15620	70554	33493	9644	8145	51448	21584	2173	23180	56046	Lipid	0.5	1.875	0.125
12	C8 H15 O4 N1	190.10739	190.10759	0.011680365	190.10739	1562	3005	1722	0	943	0	2189	2076	933	0	0	2852	1212	11822	2517	2755	20510	2490	0	0	0	0	1773	0	3168	0	2331	0	5512	2608	2422	3346	5129	3647	0	2969	2992	2879	20663	0	0	3228	2926	2287	3050	0	0	3473	1777	2342	3025	0	2335	3307	1534	1993	2034	4856	0	0	0	0	1501	2336	7536	3638	5701	22702	0	0	0	2675	4205	3130	9945	4508	1543	2098	2467	0	1780	926	0	0	1873	2689	4041	6818	2636	0	0	1885	2139	0	0	2835	2100	2686	1603	1146	1818	4908	2867	0	0	0	1194	3225	2362	1361	Lipid	0.5	1.875	0.125
10	C8 H15 O4 N1	190.10739	190.1076	-0.07834129	190.10738	4978	4277	6349	4583	5823	8695	10086	11740	2778	0	5104	5409	7130	95779	12300	7410	13670	8955	7676	2040	0	1535	10122	5729	7786	0	4371	14177	14977	15492	10092	8815	6062	11846	0	15677	5986	9647	10015	0	0	12855	3923	1854	2533	2513	0	1935	6016	11132	6610	5218	5403	3300	6079	3739	4721	7956	0	0	8725	0	5432	3009	51317	8302	15510	9084	0	1520	1369	10509	11247	20472	9394	10401	2171	9403	2502	7978	3974	1980	9167	3650	2988	6738	5754	7060	7524	3456	4249	3650	7289	1554	0	2342	3961	5141	3722	2529	3193	9223	6011	2517	0	3386	2855	1884	2730	3446	Lipid	0.5	1.875	0.125
8	C12 H15 O1 N1	190.12263	190.1229	-0.04888064	190.12263	5956	6177	3694	5652	2438	24285	3962	5858	1284	8611	6112	2549	890	1823	3146	6008	4348	2771	3532	7855	7972	3785	3167	7120	3557	1528	5832	11128	4844	6576	5496	6324	8630	6328	8396	6727	6393	3095	6464	3617	2998	3757	729	616	750	2337	3613	668	7828	3267	4211	5461	3547	553	1734	664	1526	6837	1310	3064	4428	1256	1850	2063	1691	1321	2370	8892	0	1679	0	4677	5639	5418	3870	4554	494	3681	2799	5060	1521	1415	1381	2954	1461	0	3635	3294	3374	22582	0	0	34481	4941	5348	551	4597	5094	1495	1006	0	5170	3551	2916	0	10161	0	597	3596	1187	Phytochemical	0.083333336	1.25	0.083333336
4	C12 H15 O1 N1	190.12263	190.12294	-0.03439392	190.12263	7825	9150	7323	7703	4253	103060	5720	9219	2505	30392	15724	4900	1786	7685	4012	11849	10035	5856	6245	26813	29317	8469	4139	9448	6320	11713	4980	28107	8458	6860	5999	8898	10328	9059	30493	8351	9601	4443	9636	11572	7083	8763	1382	743	755	6195	7881	912	10089	8167	9024	7107	5283	610	2806	1565	2892	10674	785	1612	9336	4977	3147	3058	2147	3860	5199	11379	7107	10964	15026	7686	7156	10071	9286	8059	513	5181	6609	8738	3877	2054	2053	10208	2876	2091	6493	6382	5919	15917	7545	1988	14389	11880	12234	1028	7384	9061	2925	2027	1433	9966	5026	4448	0	10755	2567	573	5326	3436	Phytochemical	0.083333336	1.25	0.083333336
6	C12 H15 O1 N1	190.12263	190.12291	-0.07654384	190.12262	9680	10050	6893	6618	2578	42749	5176	6986	1742	24112	12992	7089	1027	2376	4456	12901	9072	4290	3472	19942	23187	13468	3879	10519	21675	2981	5224	17058	7844	8525	6230	9355	9748	8937	21586	7760	9933	4700	10037	7233	6839	5786	740	572	600	6065	7450	711	10765	7738	8512	9512	3822	631	2255	719	2912	11641	1209	4736	9066	2796	1102	1362	2347	3143	4824	10846	1937	5399	5240	10461	8008	7297	9144	8542	486	5611	8998	6433	4523	3839	2812	8676	807	2274	11659	5186	5007	41034	14535	5242	39840	8017	7869	568	10101	7677	1826	655	518	9877	6803	4829	0	11868	679	509	20591	2546	Phytochemical	0.083333336	1.25	0.083333336
18	C12 H15 O1 N1	190.12263	190.12283	-0.039274104	190.12263	7998	5030	6687	3800	3160	7303	2751	7671	1047	22576	19983	6632	2399	3762	6397	18498	7545	0	3842	17246	13101	7368	2306	5323	2803	2659	3616	23545	10847	5658	14959	8126	6903	11402	14811	10149	4252	5534	7400	9180	18447	6143	1098	448	638	6543	9655	586	10692	5229	5904	8232	3968	621	0	0	1009	14395	3240	10646	7931	8131	0	0	1132	3258	3543	21563	5761	5268	9473	4948	7228	4456	8556	0	852	4638	1739	17459	1434	7128	6406	7831	1690	1362	4130	4607	2529	10111	19953	15063	12983	13365	12788	904	5565	5426	2088	0	0	6814	5023	7926	4027	5661	0	899	5373	0	Phytochemical	0.083333336	1.25	0.083333336
2	C12 H15 O1 N1	190.12263	190.12294	-0.11868887	190.12262	66781	73264	61421	67596	7187	831088	58222	76653	5175	66953	29200	31819	5627	8803	54205	195167	78899	17225	18945	60772	59939	63942	27786	128706	170422	15386	66600	34789	57490	67318	177362	76152	180271	61549	58085	70708	127235	35903	91073	25143	16506	55451	992	684	936	29224	18915	865	100659	67119	67192	74162	27578	775	7258	2488	8870	234898	1608	4120	156432	8341	8069	8581	11127	29808	53948	137131	10101	29890	19346	67190	59798	65850	133056	58762	551	37171	41802	15085	43869	8871	5851	23337	4152	36986	52610	207671	113816	148781	44595	15016	186751	27071	57687	1030	63616	62030	5158	2397	2854	154840	39220	36546	9256	176875	3043	754	105031	8653	Phytochemical	0.083333336	1.25	0.083333336
0	C9 H19 O1 N1 S1	190.126	190.12628	-0.04541928	190.126	0	0	0	0	0	0	2079	5108	0	0	0	2119	0	0	1454	0	1551	0	0	0	1784	24260	12542	0	9883	0	0	0	0	0	4401	0	6306	0	1838	0	0	4364	1599	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10216	0	2326	0	2647	104793	17029	23231	513	0	0	0	0	72316	0	0	133830	0	0	7206	7569	0	0	0	0	0	0	0	0	4247	0	0	3074	0	0	16446	0	Organosulfur	0.11111111	2.1111112	0.11111111
2	C9 H19 O3 N1	190.14377	190.14404	-0.14235775	190.14374	31439	37266	28950	34675	80876	41277	9722	37232	363013	6661	7775	12649	112001	43791	8582	11557	21486	121362	93472	6897	5261	19091	9301	21699	8234	0	5355	16066	47554	29125	66208	39084	64564	37965	14297	34570	47659	9097	28438	2547	981	80470	2263	1532	495	7234	2579	2571	45118	14761	36582	34559	79040	501	51777	24436	56144	60707	2617	3365	14821	464	32283	19738	29208	137312	104747	29200	0	2465	1112	39828	57132	39046	6053	45794	1663	15955	20798	45542	5205	1739	3225	5171	28662	29963	18470	68007	74016	23548	17839	14505	37261	9596	3764	1709	31261	29153	24676	36630	44087	30667	10385	10030	1488	40974	0	2160	8847	66571	Lipid	0.33333334	2.1111112	0.11111111
4	C13 H19 N1	190.15903	190.1593	-0.1547949	190.159	22438	29280	22866	23597	5347	12171	9642	39674	2229	13257	7006	12955	1637	18796	19299	112878	30535	15828	31695	13942	14369	4397	24819	118341	64075	648	15712	13432	16641	17770	24107	28492	23827	25943	9340	25009	24309	18860	33346	2434	686	4449	0	0	0	9460	2881	0	31098	32890	24671	20704	8654	286	9114	1093	4083	106757	0	0	93269	921	706	7236	4800	4857	9880	41514	804	4602	1917	33055	17331	28194	27452	23049	232	14336	72138	8998	36447	440	347	5077	1488	3709	75709	17805	15456	151878	16160	0	276947	2893	8102	644	24951	23828	2288	465	0	23612	10568	4142	0	87119	2535	293	56573	1719	Lipid	0.0	1.4615384	0.07692308
6	C13 H19 N1	190.15903	190.15929	-0.0631701	190.15901	2732	3109	3371	2915	965	596	1617	2864	0	10440	5348	2583	2325	934	1989	5651	1684	1365	6581	17492	16247	5459	2197	8508	2871	1000	1408	3493	2722	3702	2624	4708	3131	2541	9458	2830	2409	1381	2875	0	0	0	0	0	0	0	1692	0	4183	3874	4275	4615	1247	0	837	0	353	6771	0	0	6476	0	1514	0	0	3707	1190	4873	0	0	0	3577	2500	3029	5322	3566	215	1864	2582	0	2404	0	0	1746	812	0	4730	1635	1430	25444	3100	0	13785	1301	3330	0	4129	1200	0	1666	1743	3220	3011	0	0	6499	0	0	2077	1883	Lipid	0.0	1.4615384	0.07692308
10	C10 H6 O4	191.03389	191.03413	-0.022392115	191.03387	24567	26379	20005	19125	60019	33028	13101	19568	54745	13620	18385	19250	65941	52721	19083	24540	16049	51322	58705	15055	11714	20248	28584	17656	14948	4013	15470	30213	20476	23321	20291	21675	24005	22628	15333	20393	18989	20913	18870	9925	8229	31962	13045	9867	12065	14051	6489	13916	18734	16790	24486	26173	41761	11412	38634	37143	27334	38420	6656	6486	30200	4977	74232	42858	31338	101177	40567	19068	9744	9053	10196	22207	24596	21208	20409	28563	10196	16290	24255	21482	21209	12958	7409	4993	51209	30476	32212	30288	39016	16716	21677	12274	14647	15666	10749	14430	23790	23410	41429	48331	48472	19165	21684	8503	0	22845	30497	9864	14494	69298	Phytochemical	0.4	0.6	0.0
12	C10 H6 O4	191.03389	191.03413	-0.028671814	191.03387	26878	28555	26564	28351	49822	31421	19944	18981	48608	15055	26411	17813	49196	40578	24587	34272	20997	49968	56006	11985	10087	16696	30875	20979	19040	6574	15106	47390	23867	23954	26044	27302	29479	24365	19418	23090	18382	26883	21040	10218	8800	32110	12135	8986	10951	13156	6863	13320	25967	18998	22789	28844	40177	7926	46521	28673	32691	31511	0	0	33649	5782	78647	33274	34969	83451	42241	22801	0	9967	7190	21136	18691	21304	13065	33493	6790	16788	24831	42767	25381	16074	6671	6435	34316	27158	34657	29491	38172	28437	24216	16746	19678	17421	14828	13868	28837	28419	34155	35237	32002	26111	24281	12459	0	26469	30027	9491	20752	70304	Phytochemical	0.4	0.6	0.0
10	C9 H6 O3 N2	191.04512	191.04538	0.0735628	191.04514	24549	23176	25350	0	8979	13648	19772	53375	5613	4893	6178	20596	4639	6177	17526	68872	16634	26759	30001	1494	0	41268	20332	65690	16265	0	8954	0	34930	31039	52139	58181	60228	54511	1857	38275	62856	19096	27039	0	1100	24734	904	1056	1178	3689	0	1069	49111	34136	25544	23560	19124	1499	6476	1547	7023	87192	0	1811	99581	0	8414	7522	6789	11683	27622	15801	0	1537	0	53781	51206	18000	39408	49380	716	21363	30992	0	26176	1117	768	0	3125	5730	36556	37958	28005	44365	9754	6660	101234	2233	1498	1086	24258	16986	1927	2740	1513	40529	19700	0	0	69231	2540	1141	20374	16783	Unclassified	0.33333334	0.6666667	0.22222222
2	C7 H10 O6	191.05501	191.05534	-0.010083158	191.05501	905	1509	1271	1447	6113	0	0	1799	2639	344	0	529	26421	5228	687	479	549	6938	5642	566	319	933	944	930	1131	0	0	0	2000	1164	1446	1743	2500	4084	827	1405	2242	465	0	0	0	0	355	390	404	721	210	0	1395	947	1700	1454	2562	539	4679	2919	810	1783	505	0	1026	0	12420	2278	0	10795	2487	0	0	446	0	5204	2643	2133	0	1402	319	1459	438	0	691	0	0	0	2190	1181	0	2941	1981	0	3515	1386	1936	0	0	501	1581	2759	1004	1387	1864	1811	860	823	210	1573	1336	0	426	13042	Unclassified	0.85714287	1.4285715	0.0
0	C6 H10 O5 N2	191.06625	191.06653	-0.24705982	191.06621	0	4421	2651	3381	9585	24135	0	7539	1801	0	0	2079	7921	7584	1154	0	3293	10080	8255	0	2612	5375	3461	4903	1540	0	0	755	18334	2903	9459	8375	23099	9406	2941	6312	10406	1765	3756	0	0	6393	0	0	0	2075	0	0	9223	2376	4423	2346	9233	451	1626	994	0	26294	0	0	0	0	18623	2161	1583	12177	22245	4185	0	0	0	7391	12965	5427	0	9544	0	1875	2706	3262	1848	0	0	0	992	0	4166	6199	13041	4597	16649	4587	4051	0	0	0	0	4152	982	630	0	4887	0	0	0	15101	964	0	2017	18748	Peptide	0.8333333	1.6666666	0.33333334
8	C9 H11 O3 Na1	191.06787	191.06807	0.18523425	191.0679	2205	3091	1998	2745	1334	1251	7334	0	0	1840	0	0	0	192225	0	1226	0	0	923	0	0	0	0	0	0	3263	16385	0	0	0	1242	929	0	2597	0	0	1224	0	821	0	1801	687	2369	0	0	0	0	392	0	1517	1939	2847	726	0	0	1704	2085	0	0	1278	0	953	11735	0	81760	1049	82516	0	0	6962	0	1526	2686	1131	49957	1344	0	888	0	0	0	1111	5609	109383	0	0	1224	1004	1232	0	0	0	0	0	0	1366	2175	1695	14545	664	0	0	0	0	0	0	0	364	0	3568	Phytochemical	0.33333334	1.2222222	0.0
6	C9 H11 O3 Na1	191.06787	191.06795	0.20498362	191.0679	0	0	0	0	0	0	1269	0	0	0	0	0	0	1010	0	999	0	0	0	0	0	0	0	0	0	0	1741	0	0	1042	0	842	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1253	0	0	0	540	0	0	0	0	0	0	0	0	0	0	0	674	0	0	0	0	0	0	0	745	0	44482	951	0	0	0	0	0	0	0	1437	0	0	0	849	692	0	0	0	0	0	0	0	0	0	0	445	0	0	0	0	0	0	0	0	547	0	Phytochemical	0.33333334	1.2222222	0.0
10	C9 H11 O3 Na1	191.06787	191.06808	0.19926238	191.0679	2427	1849	2278	1344	1241	3354	8436	0	0	1118	1681	945	0	73814	0	0	0	0	0	0	0	0	0	0	0	3676	10656	4166	0	1008	0	0	0	1213	0	0	0	0	1206	0	0	1267	2857	0	0	0	0	0	0	0	2417	1828	1268	0	0	2077	3807	0	0	0	0	0	2373	0	51871	0	61198	0	0	1913	2359	0	0	0	13915	945	0	0	0	0	0	882	3480	117923	0	0	0	1082	2159	0	0	0	0	0	0	793	2148	1168	16059	0	0	0	0	0	0	1070	0	589	1199	0	Phytochemical	0.33333334	1.2222222	0.0
12	C8 H14 O3 S1	191.07364	191.07373	-0.8911632	191.07347	0	0	0	0	954	0	0	0	0	0	0	0	0	929	1699	0	0	0	0	0	0	0	0	0	0	0	297690	0	0	0	0	2317	0	0	0	1189	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2722	0	0	0	0	0	0	0	1679	1499	2666	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	876	0	0	0	5127	0	0	838	0	0	0	Organosulfur	0.375	1.75	0.0
8	C8 H14 O3 S1	191.07364	191.07382	-0.23148665	191.0736	2520	2259	2167	2535	1684	2667	4938	2575	3517	0	3131	1432	1902	6106	5235	3364	8319	1849	2642	952	0	0	1475	0	7193	0	76442	6045	2708	2783	2477	2931	2820	765	1712	3661	1461	3608	7788	0	0	3699	0	0	0	0	0	0	2507	1666	2820	2045	2937	0	3189	955	2896	3632	0	0	0	0	0	1735	6618	3306	7424	8767	0	0	0	0	1345	3292	3037	1965	0	1744	3333	0	1534	2757	0	0	2524	5428	9339	785	3798	7502	0	0	3091	0	0	0	2604	3198	2082	1066	0	2275	2319	1629	0	3435	0	0	2766	1339	Organosulfur	0.375	1.75	0.0
0	C8 H14 O3 S1	191.07364	191.07387	-0.17960764	191.07361	18408	15941	18785	15874	0	0	10229	2544	0	0	0	298510	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8456	0	1543	0	1723	0	1444	2106	0	0	0	0	0	0	0	0	0	0	0	0	0	552	0	0	14281	15230	0	0	0	0	0	0	0	0	0	0	0	661031	0	0	0	0	0	0	0	4783	2345	0	0	0	0	698710	0	0	0	2006	0	0	2727	0	0	0	0	0	0	0	0	0	0	0	18130	16085	0	0	0	0	10127867	0	0	0	0	0	0	0	Organosulfur	0.375	1.75	0.0
2	C8 H14 O3 S1	191.07364	191.07382	-0.57198495	191.07353	0	0	1258	550	0	0	0	769	514	379	0	669	487	824	560	0	529	0	749	0	0	0	0	0	664	0	0	0	0	440	1161	569	0	0	0	0	0	499	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	479	0	320	0	0	0	0	909	0	0	0	0	0	425	0	0	0	0	277	625	0	1257	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	326	1869	0	0	0	0	0	592	39977	0	0	0	0	0	389	0	Organosulfur	0.375	1.75	0.0
10	C8 H14 O3 S1	191.07364	191.07378	-0.20566286	191.07361	0	0	0	0	841	1151	0	1521	0	0	1473	0	0	1789	1837	1666	0	2155	0	0	0	0	0	0	1561	0	1105	4701	1143	0	1078	1213	0	0	0	0	0	957	0	0	0	0	0	0	0	0	0	0	0	989	0	1085	0	0	0	0	0	2180	0	0	0	0	0	0	0	0	1348	0	0	0	0	1071	0	0	0	880	0	839	0	23175	0	0	0	0	1022	938	1518	0	0	0	0	0	0	3121	1584	0	0	0	1325	0	0	0	953	0	0	0	0	0	1756	0	Organosulfur	0.375	1.75	0.0
4	C8 H14 O3 S1	191.07364	191.07391	-0.11563489	191.07362	1100	0	1408	1396	590	0	1390	937	1077	0	0	1243	409	741	1008	2190	1390	772	1291	0	0	0	0	1805	1062	0	48860	0	0	1218	1551	1755	1190	0	0	1312	789	635	2638	0	0	1308	0	0	0	0	0	0	0	0	1875	1147	675	0	327	0	955	1761	555	0	1407	0	0	469	0	0	1222	1973	0	0	0	0	585	1855	1638	981	0	605	734	0	997	886	255	0	0	970	2173	613	933	2102	0	725	1627	0	0	0	911	1210	632	0	507	1345	6745	0	0	917	0	0	1368	0	Organosulfur	0.375	1.75	0.0
12	C10 H10 O2 N2	191.0815	191.08174	-0.06822145	191.0815	28933	31895	34646	28485	14260	28437	46215	28201	11043	13522	8607	25040	7011	20882	23928	86376	81887	26410	25292	3986	4637	32255	24330	37541	37440	0	38370	0	34631	32242	39093	49470	76814	52484	9572	35626	92665	30083	113752	5191	5280	35374	2568	2739	2627	9818	4514	3742	52171	32831	31315	39482	36970	2310	9796	2572	17223	101940	5060	0	56421	2075	18015	11232	15446	30061	31955	114467	0	4816	3050	30786	28504	13808	61844	31649	1826	23115	32108	0	27042	6129	4931	2771	8240	15270	69777	71482	45161	171397	24183	20495	90736	3837	7585	3160	34124	33002	10471	5403	5146	79600	28773	6010	0	66911	10502	2252	55565	19728	Peptide	0.2	1.0	0.2
10	C10 H10 O2 N2	191.0815	191.08176	-0.006997193	191.0815	119462	92277	111895	0	34259	55339	150370	205919	19357	32724	32123	121780	19906	27808	81699	339615	219220	71073	73724	18374	19404	87218	73055	232710	74885	2202	230314	30708	207533	168659	214319	272855	265191	277788	41647	227294	241369	82318	317854	10036	9770	71609	3237	3428	3308	45257	10552	3404	229345	138471	125014	128167	64417	3573	13846	7257	28009	337277	6204	12412	298061	4821	29110	15997	34270	56392	81421	325919	0	25653	9288	226178	278383	152403	281764	284632	2073	95488	87434	16965	81956	14435	10180	6414	15950	36939	109240	112903	93615	269401	32252	19390	213171	8133	14126	4007	124662	92615	15444	10086	13690	190047	113869	15108	0	251624	11943	3694	125957	32384	Peptide	0.2	1.0	0.2
8	C10 H10 O2 N2	191.0815	191.08176	-0.07581418	191.08148	25793	33426	24913	27552	22981	18129	33973	36106	14689	13977	25254	28096	14158	16208	31243	66762	68148	26661	29615	11356	11995	26803	34278	45250	32369	3896	34828	14806	34137	32759	33141	41858	46050	42562	17604	33975	43764	32994	81326	8855	13372	22215	2445	1974	2404	14924	8453	2368	43088	40568	22410	28097	21011	2439	14179	7740	17605	43009	6734	12318	42453	7296	15785	14563	15395	18548	20599	78699	5695	9195	8509	35361	33362	31714	39303	33243	1660	25418	37798	12508	32310	11442	13317	5722	13700	13997	41417	30191	23333	95148	14181	12506	68150	9803	11805	2977	26774	23477	12791	12753	13303	39775	30594	10671	0	44903	11973	2055	39047	22203	Peptide	0.2	1.0	0.2
14	C10 H10 O2 N2	191.0815	191.08173	-0.073649995	191.0815	16366	21562	17492	18043	11356	28712	26173	33135	7117	4128	9820	19497	7165	11840	22148	44778	44353	9898	11940	3081	2177	17194	18415	35854	24699	0	35433	0	32141	44037	35021	36654	38572	41717	3765	32390	31550	21056	51760	3048	5288	19039	0	2790	2342	10105	0	3328	27396	25303	21992	19072	17971	2422	4765	3395	15191	44274	0	6206	41198	2925	6314	6255	11709	11079	21088	58557	0	3656	2378	35464	26076	23057	38969	32024	1801	21009	28622	0	27076	3674	6077	1688	6649	10069	39413	39511	26915	127788	18712	9774	69469	6274	3929	2714	18590	24735	9062	4049	5235	40349	23029	9320	0	50014	4126	2864	33286	8005	Peptide	0.2	1.0	0.2
10	C7 H14 O2 N2 S1	191.08487	191.08507	-0.18811154	191.08484	4339	2765	2415	0	0	0	2591	0	4395	0	0	0	0	0	5341	4247	23066	0	0	0	0	0	903	0	6038	0	7946	0	0	0	0	0	0	0	0	0	0	8718	24330	0	0	0	0	0	0	0	0	0	0	0	3761	2921	0	0	1120	1623	3390	0	0	0	0	0	0	0	2959	0	0	32356	0	0	1317	0	0	0	5146	0	0	0	0	0	6844	1697	0	0	2459	2737	47432	0	0	0	0	0	3594	0	0	0	3024	3632	10383	1826	3028	0	950	0	0	0	2918	0	8486	0	Peptide	0.2857143	2.0	0.2857143
0	C7 H14 O2 N2 S1	191.08487	191.08493	-0.85978675	191.08472	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1654	0	29053	22184	1439	0	847	0	0	0	1524	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3012	0	0	0	0	0	493	511	0	0	1366	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17812	11236	6954	0	0	9875	0	0	0	0	0	4809	0	0	0	0	0	331	32859	10087	0	3724	0	0	0	0	3724	0	0	Peptide	0.2857143	2.0	0.2857143
24	C15 H10	191.08553	191.08571	-0.043533213	191.08553	20820	21827	18434	24060	1312	157002	1240	3119	0	0	13117	9919	0	219232	738545	1294	3644	0	257074	0	2863	0	9901	14855	130993	102004	1086	15465	6107	4710	4103	1838	2002	2194	0	1876	1591	97809	2690	0	3286	3511	6700	30978	13942	4757	6951	25778	2254	3290	23728	21403	1821	19871	1368	3588	3503	1459	8741	4932	2565	5058	0	0	5768	0	2009	1772	3741	0	2941	2166	2824	5857	2343	2655	8264	1144	11846	8934	19188	5587	73102	41645	0	0	11592	2037	128873	2802	4462	1956	3382	7095	3603	26380	20456	31323	3958	7734	11539	2794	20166	4739	15176	3124	111248	48958	122846	0	Phytochemical	0.0	0.6666667	0.0
26	C15 H10	191.08553	191.08572	-0.13212922	191.0855	0	0	0	0	0	2511	0	0	0	0	0	0	0	2508	23516	0	0	0	4627	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2930	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2655	0	Phytochemical	0.0	0.6666667	0.0
6	C8 H14 O5	191.0914	191.09167	-0.06703464	191.09138	38130	28001	41659	43692	14445	12012	13486	14844	9278	44986	49753	10783	17681	22644	13713	10224	26739	21502	11572	25070	36307	19938	10062	17200	10978	9329	13140	296269	16370	17774	15153	17794	14679	20856	14555	20974	14777	10146	19580	48237	32687	16703	73457	9805	12567	73301	83491	11571	12343	15621	34337	25734	11649	22333	10372	9255	12923	13420	109452	25690	51486	0	24105	9571	25673	36210	44821	17737	35929	29722	47122	14083	15658	21353	5360	9242	14413	11615	7238	529380	7182	17612	7517	6393	13244	22568	7525	19142	12834	8943	26414	27724	10944	185969	117556	10167	48673	33670	8678	7468	16233	19120	10860	46768	1647233	10965	13499	17350	6343	11927	Unclassified	0.625	1.75	0.0
14	C8 H14 O5	191.0914	191.0916	-0.028941112	191.0914	3339	2536	2589	2380	3284	2204	2258	1463	3402	0	0	2917	2312	4174	3060	0	1723	0	0	2315	0	0	3775	0	2903	1433	2646	99341	2957	2262	2738	0	3153	1994	0	2894	0	4802	4705	3309	0	2274	12421	16544	11247	0	0	16783	3636	0	1908	3350	2903	10962	0	3335	2787	0	0	0	0	0	2986	2468	5975	1381	4517	2218	0	0	1722	3275	5187	0	2026	3224	12659	4433	3025	0	3205	4604	4282	2056	2344	2690	4283	4873	3463	5997	0	0	2317	0	0	15008	4007	1986	4360	5599	4052	0	4808	0	0	2554	2763	17122	3611	0	Unclassified	0.625	1.75	0.0
4	C8 H14 O5	191.0914	191.09169	-0.14228304	191.09137	29780	39456	22031	21926	10455	8619	9992	8319	7217	22384	42602	8326	11421	14204	7296	7442	13829	11202	6900	8427	7793	21135	6495	9489	5837	24422	14204	68077	8104	8818	7838	12252	10171	10553	20114	8757	11572	7097	12168	27908	50239	8259	14973	8805	13272	19370	146415	10906	7889	8231	30107	32640	6868	13682	6697	8590	9712	8330	11490	91835	33442	35515	12884	5906	9931	21071	9691	12780	127598	14607	149060	11259	10456	11462	3304	8604	12300	8341	8275	169975	9424	16625	7220	7132	5879	8243	6576	15375	12800	8843	40020	13760	5637	82450	35216	12174	16379	27806	8385	9413	9011	10446	8181	16517	159437	5208	7858	9917	7057	10783	Unclassified	0.625	1.75	0.0
8	C8 H14 O5	191.0914	191.09166	-0.092543855	191.09138	16207	15057	13897	15110	16150	14732	9407	8745	14168	9705	22115	12901	11954	19860	10555	7367	8960	7794	8292	5478	5483	7509	9804	7632	9819	10004	13894	201363	8538	8111	10768	9412	7557	9576	8720	6477	7758	12537	10312	13933	14229	9856	23322	28369	22584	12708	23530	27529	8415	6187	15799	14369	13085	25053	8743	10846	18711	9092	29799	15541	0	18292	13407	11264	18436	22328	29217	8412	17949	10336	25663	11605	10691	8722	2619	13268	20212	10298	11421	58981	12517	18152	14514	12750	12433	11947	9705	14134	12137	8755	0	8965	5871	34110	10314	23653	15056	12611	13773	14263	11299	5938	13534	6915	202941	9603	11133	28656	11787	9917	Unclassified	0.625	1.75	0.0
0	C7 H14 O4 N2	191.10263	191.10292	-0.11763914	191.10262	2793	1745	2072	1933	11762	53415	0	6170	10383	0	0	0	50008	31313	1262	0	1706	16963	8871	0	3389	3418	3660	2311	10227	0	0	1557	36432	0	10439	5232	56975	8482	3538	2874	5854	1722	2436	0	0	3213	0	0	0	1617	0	442	4009	0	2029	1888	13573	692	14918	7472	0	5252	679	0	0	0	49589	2986	3002	16974	29766	1017	0	1816	0	4591	5490	2067	0	2798	0	1208	2186	2468	2779	0	0	0	5588	1333	3602	4127	6796	4712	12292	4539	3282	0	0	461	1952	2305	2100	2869	3743	2329	1678	0	0	7934	4273	535	2007	64989	Peptide	0.5714286	2.0	0.2857143
0	C9 H18 O2 S1	191.11003	191.11044	0.75729805	191.11017	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19019	0	0	0	0	0	0	0	0	0	0	726	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	928	0	0	0	0	0	0	0	0	0	0	0	49454	0	0	0	0	0	0	0	0	0	0	29863	6320	0	1449	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.22222222	2.0	0.0
10	C11 H14 O1 N2	191.11789	191.11806	-0.08979571	191.11787	4953	5273	4804	4547	0	1108	4914	11173	0	0	2394	5790	0	0	2322	9582	12248	0	1382	0	2966	2508	2418	8474	3431	0	4316	3417	11944	22721	10806	16687	6475	12764	1496	19384	7289	2708	12906	1317	0	2580	0	0	0	0	0	0	8069	13848	3229	4587	1276	0	0	0	755	8851	0	3218	0	0	0	0	0	0	0	10541	0	0	0	17569	31797	43191	11336	25002	0	4499	2544	15242	2580	797	1562	0	0	0	4092	2441	2973	6747	17358	3515	5975	2045	1987	0	3108	4044	0	0	0	6215	5628	0	0	6811	0	0	4519	0	Unclassified	0.09090909	1.2727273	0.18181819
6	C11 H14 O1 N2	191.11789	191.11816	-0.09374361	191.11787	12375	16933	15803	14270	2791	5232	12335	21959	1657	16998	12633	12579	655	2744	13135	33130	24611	4671	5380	14490	17099	7540	8547	18862	9255	3149	12406	15029	24819	26950	21519	32035	25978	30494	17561	28185	25926	10633	27212	4522	6579	10764	0	0	0	5301	4569	0	35120	21265	15118	17058	7540	0	2435	453	2745	30645	897	3807	32908	2812	1625	1471	2609	4612	8391	33478	1750	4420	4490	23584	28876	35248	26781	30274	0	11948	8498	17167	7336	2287	2338	5000	1434	2570	10280	12402	10449	35632	56437	22028	25522	5892	9303	0	15048	11775	1260	800	846	26096	12121	4192	0	25764	734	0	9919	2702	Unclassified	0.09090909	1.2727273	0.18181819
16	C9 H18 O4	191.12779	191.128	-0.165959	191.12775	6127	6904	4376	5371	0	2858	0	0	0	6380	22617	0	9645	11602	0	0	0	0	0	0	3165	0	0	0	0	0	0	138122	0	0	0	0	2924	0	2985	0	0	0	0	0	0	1410	1328	1865	1364	0	0	1480	0	0	6553	4902	0	1703	162510	6391	43926	0	5039	0	0	5842	0	0	138476	14006	23266	0	0	0	0	0	0	0	0	0	1907	0	0	114965	0	4970	0	0	33100	699174	0	0	3147	0	0	2066	0	15239	1637	1064	4409	8786	3070	0	31911	0	0	0	94124	0	142242	1588	0	0	Lipid	0.44444445	2.0	0.0
12	C9 H18 O4	191.12779	191.12807	-0.18647005	191.12775	0	0	0	0	0	0	0	0	0	0	3479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	970	524	0	0	0	511	0	0	1266	0	0	722	0	0	0	0	5482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	457	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1627	0	0	0	0	0	0	0	66541	0	0	549	0	0	Lipid	0.44444445	2.0	0.0
10	C9 H18 O4	191.12779	191.12814	0.066857465	191.12779	0	0	1086	1410	0	0	0	0	0	4915	9696	0	0	0	0	1307	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1747	0	0	0	0	1647	1304	0	1466	893	583	2523	2712	1095	0	0	0	1241	0	2077	0	0	0	0	13076	0	0	0	1062	2384	0	1451	0	0	0	0	0	0	0	0	0	0	611	0	0	0	0	0	800	0	0	0	0	0	0	0	0	0	0	1088	0	1195	0	1354	0	0	0	0	0	2355	160870	0	0	1099	0	0	Lipid	0.44444445	2.0	0.0
6	C9 H18 O4	191.12779	191.12813	0.021650955	191.12779	0	859	982	827	0	0	0	0	0	5170	7256	0	0	1359	0	0	0	0	0	0	2107	0	0	0	0	0	0	0	0	674	0	0	0	0	2867	0	0	0	0	2342	0	0	0	0	0	0	1557	0	0	0	798	0	0	225	0	0	0	0	9525	0	0	7799	0	0	1950	0	742	0	0	0	0	0	0	1179	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1082	0	0	0	0	0	0	0	0	0	0	99776	0	0	0	0	0	Lipid	0.44444445	2.0	0.0
10	C13 H18 O1	191.14304	191.14328	-0.09795818	191.14302	17526	17594	15239	15932	17993	11401	17600	16616	14958	8879	7462	10655	10696	19078	12882	21094	23822	13903	16515	10329	10643	17822	12427	13013	16065	14939	19642	8223	12632	14445	12179	17088	18190	9617	11599	11951	14780	13144	22594	12778	10102	14002	7482	5819	6866	11538	12619	9613	13370	12677	13963	17040	13636	6868	16365	21832	12272	23547	9547	16113	17262	6813	13460	10925	13227	13852	12567	26826	12251	11765	14981	10200	13630	16760	20414	16751	6460	9782	19541	11315	15583	16478	20424	16321	19727	15218	21316	7492	11360	48873	18030	20417	27248	13057	17296	7103	13739	16928	18978	32346	34935	15348	10440	13981	0	16519	23942	5503	16007	10816	Lipid	0.07692308	1.3846154	0.0
20	C14 H22	191.17943	191.17964	-0.05075316	191.17941	18820	23146	18041	17049	11407	26703	187182	5501	4891	7712	7566	4079	7750	167371	6454	9942	14173	5205	12519	5323	2606	9974	4030	3685	5117	49578	203992	12150	3932	8339	3435	5263	6631	4798	3073	6748	4418	8116	13675	7299	13064	42945	7472	2602	2285	6662	8663	3113	5974	5455	20417	19274	6637	2818	2177	27961	37044	13514	3235	18252	26276	5524	34857	4059	83118	8657	41272	15318	8934	11837	18442	5007	5810	9585	14695	10029	2566	4101	42191	29453	7913	0	91537	226987	9555	5971	24678	7139	23032	56320	26568	14454	17128	5593	10595	3523	18525	12928	43830	12673	18284	7976	3761	14620	4962	4783	6606	2482	6974	16372	Lipid	0.0	1.5714285	0.0
18	C14 H22	191.17943	191.1796	-0.10481547	191.17941	2250	2657	0	0	1536	0	26528	2246	0	0	0	1577	2867	11217	2242	3133	3504	0	0	0	0	0	1176	0	1494	5033	24365	0	0	0	1481	2717	0	0	0	2173	0	0	2132	0	0	1651	1477	996	1150	0	0	1237	0	0	3059	2385	0	925	0	1581	1252	2951	0	1534	2213	917	2038	0	4897	0	4712	3102	1430	0	0	0	0	0	3646	0	976	0	2403	3017	1936	1572	17660	35881	2722	2182	3213	0	1755	10622	0	2115	2597	1324	0	1168	0	1826	2526	2850	0	0	0	0	0	1715	3033	1186	1818	0	Lipid	0.0	1.5714285	0.0
22	C14 H22	191.17943	191.17961	-0.09040242	191.17941	108959	116056	94248	114911	42630	303131	889107	44075	18076	45673	67024	22421	25425	894529	32080	48549	83395	29045	163467	45488	36706	72682	23060	37394	35939	231816	969854	127363	21428	38825	23750	28200	37780	20072	27177	39355	32685	31860	77074	24655	105402	283354	51167	12111	12384	65437	98762	17648	29767	33733	118867	104932	34291	23432	14823	329344	459993	60970	23563	97699	116860	43487	204044	20388	599705	39566	343095	97978	74060	80687	102325	21136	14045	40068	46291	48428	17080	17690	34587	225363	30512	107162	257399	927586	38966	50108	46659	49588	155879	353524	142551	104916	157346	64842	95183	30109	97020	127983	433503	30668	34736	44850	22124	86402	41668	56369	41666	15560	37377	65525	Lipid	0.0	1.5714285	0.0
6	C8 H10 O3 N1 Na1	192.06311	192.06334	0.09400931	192.06313	0	649	0	0	514	0	652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	509	0	884	0	0	576	0	1208	0	1173	0	0	0	0	1653	0	0	790	0	0	0	0	0	0	0	0	0	788	0	0	0	0	803	0	0	0	0	0	0	0	390	0	1814	0	0	0	0	0	1039	0	57274	867	0	0	518	0	636	0	0	0	0	0	0	1642	943	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1457	0	0	0	Phytochemical	0.375	1.25	0.125
14	C10 H9 O3 N1	192.06552	192.06575	-0.09238472	192.0655	23703	30170	19602	19045	37578	20354	29609	28392	16711	10654	15627	25580	22820	27462	25353	40353	39459	36226	31668	9236	6344	18994	23596	23611	23746	2213	29621	11553	25913	27008	29148	32571	35924	36766	13706	29607	41862	21009	40457	11055	10165	27975	6778	8543	7897	11127	8237	10622	35542	27003	29112	26179	26933	6593	19676	16271	23622	57627	6416	11451	35969	3736	22843	22622	17475	35779	23362	42262	0	4232	5533	28460	31315	26128	27464	34491	7459	24149	25185	17545	26967	9169	13272	6809	19867	16771	30191	43757	42908	53487	26743	19263	42409	9099	8826	10605	25871	17682	20831	19954	22276	39174	29789	16820	0	41091	16951	9241	30465	33283	Phytochemical	0.3	0.9	0.1
0	C7 H10 O2 N3 Na1	192.07434	192.07475	0.14509381	192.07437	0	0	0	0	0	16370	0	0	0	0	0	0	0	0	0	0	0	5527	0	0	0	0	0	0	0	0	0	0	4174	0	0	0	2042	0	64252	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1085	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2675	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.4285715	0.42857143
4	C9 H9 O2 N3	192.07675	192.07704	-0.06356222	192.07674	33252	34911	28861	32392	112227	43093	14870	10768	10509	5922	5379	10021	183552	27338	8492	16383	31367	130807	382320	4425	6301	9428	6484	14438	13365	149721	30776	4583	23485	0	10549	13234	18892	14472	6457	10687	15505	11969	28375	5096	17503	50619	1798	418	508	5315	5217	555	20700	12307	34635	26718	109234	818	15048	85173	69549	11927	1529	4019	12140	1675	10664	32172	51719	100422	0	44886	71080	134179	128466	8213	10641	5755	11909	9935	0	7588	11706	0	8071	1776	2240	2270	92093	34678	9868	64308	58170	26226	5143	2229	19465	1375	2935	1208	32404	33484	190323	12936	20199	15025	10756	4153	0	11465	99194	1264	9619	14834	Peptide	0.22222222	1.0	0.33333334
16	C9 H9 O2 N3	192.07675	192.07692	-0.09614654	192.07674	0	0	0	0	30576	4018	0	0	2508	0	1339	0	6117	91120	0	0	0	0	0	0	0	0	0	0	0	0	0	3448	0	0	0	0	0	0	0	0	0	0	0	0	0	4252	392	0	295	0	0	522	0	0	1640	2056	13667	0	0	7486	3944	0	0	0	0	0	0	0	1544	13374	13692	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6750	9029	8769	0	0	0	0	0	10524	0	0	0	Peptide	0.22222222	1.0	0.33333334
14	C9 H9 O2 N3	192.07675	192.077	-0.2086786	192.0767	0	0	0	1974	14572	7244	0	0	1606	0	0	0	2191	21473	0	0	0	4573	7299	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1407	0	0	0	0	12130	0	0	314	0	0	0	1811	0	0	0	12893	252	0	1063	2896	0	0	0	0	0	0	0	1955	6700	14844	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2459	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1834	0	0	0	Peptide	0.22222222	1.0	0.33333334
2	C9 H9 O2 N3	192.07675	192.07706	-0.09949468	192.07674	7045	7050	5391	7355	10717	0	6002	14137	6446	3999	4998	5863	6107	4672	6703	5213	15850	13786	10112	3413	3855	10506	8681	13516	6489	415	1766	2998	14052	8200	12638	12157	13998	8011	4318	10172	9165	6452	15512	2686	2374	7265	292	0	0	3801	1888	0	14001	9855	7180	6994	9609	342	6426	3024	5679	17841	1304	2445	5565	1423	7328	7571	7317	8558	10817	18281	742	2330	934	12249	10134	7186	4767	9403	0	5134	17642	2219	8769	2208	1685	1814	5210	6594	18163	13907	10826	27434	4750	2279	25509	2057	1375	778	7842	6603	5307	3041	3760	7069	5410	2285	1985	20439	5023	0	12066	10673	Peptide	0.22222222	1.0	0.33333334
0	C8 H17 O4 N1	192.12303	192.12337	-0.16023903	192.123	11756	10685	12367	9945	32951	35688	0	33323	12445	4045	0	9298	110899	74475	4481	14425	2379	96338	41145	5975	17631	35321	16779	18181	11547	0	0	3826	88281	6983	39907	19302	112253	77470	16536	14174	33097	3116	3654	6145	0	17761	5281	570	679	12191	0	517	25432	6794	10717	8809	34192	858	17226	5438	3760	36858	5520	0	13320	0	60055	12719	4685	94423	67402	1979	662	4205	0	79695	46348	13719	2465	16254	0	12972	2258	4646	2283	912	0	0	3736	2762	4351	72916	28397	5669	0	12671	23128	1515	1931	700	10463	10758	4522	3711	3568	11449	8239	4462	898	53816	6537	616	2191	135160	Lipid	0.5	2.125	0.125
12	C12 H17 O1 N1	192.13829	192.13852	-0.07933343	192.13828	5521	6388	7640	5888	0	1934	2988	11860	0	4120	4233	6877	0	0	5733	19352	7644	1309	2562	6489	4835	0	4942	14600	37905	1113	4912	0	6212	5290	7474	7012	4936	5689	3200	6166	5737	7014	14257	4634	0	5043	622	1888	873	4190	0	1009	13790	5308	6216	10604	2849	750	0	0	3542	15948	0	0	0	0	1603	0	3886	1403	3505	16006	0	1941	2193	7526	3602	1998	5939	6498	672	5530	7780	0	5393	2162	1301	2299	0	1304	20507	3544	6316	80545	15945	2736	83547	3380	5828	663	8001	7170	0	957	0	5953	6699	4851	0	18363	0	1209	21020	0	Lipid	0.083333336	1.4166666	0.083333336
24	C12 H17 O1 N1	192.13829	192.13835	-0.09316236	192.13828	1756	0	1984	1071	0	0	0	0	0	0	0	0	0	0	0	0	2351	0	0	0	0	0	0	0	0	0	0	0	13807	0	0	14001	1343	26322	0	18445	1426	0	0	0	0	1246	0	1941	0	0	0	0	1342	0	0	1136	0	0	0	0	0	0	0	923	0	0	0	0	0	0	0	0	0	0	0	1518	1387	0	0	16132	0	999	0	0	0	0	0	0	0	0	0	0	0	0	1599	1225	1376	0	0	0	1412	1142	0	0	0	0	0	0	0	0	0	0	1004	0	Lipid	0.083333336	1.4166666	0.083333336
18	C12 H17 O1 N1	192.13829	192.13849	-0.101577014	192.13828	2004685	1972947	1876992	1709914	643116	585668	125261	75463	58144	666577	667120	72881	381101	974329	86009	106987	1042903	501212	325717	364945	407002	778929	33156	71346	67031	96491	547337	1761563	29402622	100086	199796	21966874	1044814	41620611	642187	17266426	1206518	69213	1098947	213144	1468909	498639	17663	29793	5022	237974	1318657	7585	259360	173856	2032451	1816388	1237908	154547	1957515	262564	1499619	155344	149250	1073480	96383	182369	351876	1871524	1382536	1363930	1147293	2271028	120027	217546	2080582	80041	650225	1525036	2218398	44242747	4796	102798	14705	1266576	19073	282060	87786	37771	738376	1808719	35448	707479	370433	579870	958555	1706381	713711	248140	232954	573377	2102600	1960190	241024	539232	1869326	896388	81714	457402	1267372	663824	0	9234	40254	240562	Lipid	0.083333336	1.4166666	0.083333336
4	C12 H17 O1 N1	192.13829	192.1386	-0.08604158	192.13828	18720	20633	18902	18412	15921	10138	12980	14091	4265	32431	18536	8921	5304	5174	7163	118075	12343	11015	11730	27395	36093	13147	6704	13351	11587	15136	19304	22061	14479	11923	17596	36021	20884	31818	38640	14598	18701	10766	16765	13497	9246	12480	1557	1971	1101	8105	11079	1270	34206	11065	19633	18534	14895	1004	3781	1956	4913	61889	1153	1809	47816	7352	6598	4267	4029	10339	11689	23199	9561	21000	22054	16961	23384	12443	44238	23565	941	10482	9075	9159	6366	2352	2005	17033	3048	3476	15800	18856	22215	47963	24611	2889	27596	11205	15866	1515	19241	19371	3958	3480	2622	19068	10545	7936	3626	17786	3211	1249	15890	5971	Lipid	0.083333336	1.4166666	0.083333336
16	C12 H17 O1 N1	192.13829	192.13846	-0.13204513	192.13826	1808	2567	1547	0	2982	0	1900	2631	0	0	3754	2330	0	0	1707	2841	4446	0	0	0	3296	0	0	0	0	0	1288	40634	2075	2008	3604	3897	2625	0	2119	0	2865	0	6297	1261	3274	1632	1304	1896	953	2259	2388	932	3538	2303	1829	3521	1610	779	0	0	0	2821	1588	2884	0	1298	0	0	0	0	2008	2196	0	0	0	2373	2621	5240	3909	2637	1162	0	0	3578	0	2047	2357	0	0	0	1484	0	1191	0	3481	3074	0	1553	2082	1015	2109	2004	0	0	0	2159	2474	0	0	0	0	1031	0	0	Lipid	0.083333336	1.4166666	0.083333336
20	C12 H17 O1 N1	192.13829	192.13849	-0.12474574	192.13826	169386	97913	173288	125775	53033	67833	17936	16851	3257	58337	97809	14639	39465	93660	16031	12361	142928	51136	25953	62833	86543	47834	10486	9411	9060	8011	35893	148941	2902432	35958	23259	1394302	59665	3415335	54167	4586417	72808	4874	104796	12076	143837	85599	5405	9606	2503	33243	309863	3988	27141	39527	156293	129603	76332	37152	226501	24844	108870	12688	23974	144739	22502	22251	25047	235052	123272	72579	102127	250592	12921	10376	116201	10703	198098	334445	248711	3160899	4060	18113	3448	84970	2087	36524	20267	9840	76140	202858	5381	56909	24363	39052	55622	131258	66138	44648	31783	78060	140116	250952	13967	17079	276522	94582	7642	58787	178793	36839	133673	3682	6811	17240	Lipid	0.083333336	1.4166666	0.083333336
22	C12 H17 O1 N1	192.13829	192.13847	-0.12865454	192.13826	6219	3515	2280	5278	1719	1601	1101	0	0	2454	4986	3010	0	0	0	2086	3804	0	0	1799	0	1791	0	2417	0	0	1507	6476	61233	2481	2694	39774	1638	92890	0	51813	2885	1166	1719	0	3807	0	0	0	1405	1604	3740	0	2761	1968	3466	2227	2183	1649	1667	0	1550	3261	1035	3396	3389	0	0	1812	2387	2579	1883	3011	0	0	0	0	2908	4573	3771	66249	1245	1177	0	2845	0	1579	1519	0	0	0	0	1911	0	2622	3810	3533	3064	2236	2063	0	3933	2898	1455	0	2454	2482	1270	1644	3295	2080	2537	0	1378	1767	Lipid	0.083333336	1.4166666	0.083333336
8	C11 H17 N3	192.14952	192.14972	-0.15696698	192.14949	25932	37025	31383	31153	0	0	6269	34283	0	0	906	11291	0	0	15605	131957	5845	0	0	0	1447	29546	14285	89058	88348	0	13990	0	4187	13722	14799	4580	4598	0	0	4699	8287	15460	5953	0	0	1277	0	0	0	15915	1102	0	4249	9889	30603	29848	601	0	0	0	1992	270223	0	0	148793	0	0	0	1790	0	860	8610	0	14796	0	0	0	5576	4567	9998	0	12758	89794	3832	10612	0	0	0	0	0	105665	779	774	861903	16992	0	705245	0	1799	0	31544	31435	0	0	0	5553	11327	0	0	122469	0	0	39471	0	Unclassified	0.0	1.5454545	0.27272728
2	C9 H21 O3 N1	192.15942	192.15968	-0.08693411	192.15941	3049	3425	1688	3141	1086	0	0	0	0	857	0	0	0	72192	0	264	0	425	488	421	0	505	0	2805	0	0	0	0	540	0	0	0	0	0	0	563	0	0	0	397	0	0	0	0	0	539	379	0	2047	0	2167	2955	334477	0	0	0	0	1604	0	0	4748	0	3021	0	0	511	9974	0	0	0	0	505	0	993	0	0	0	0	0	0	0	0	0	462	0	0	0	528	881	0	1905	733	0	0	881	0	2370	1219	0	0	0	0	0	3012	0	0	0	0	0	1993	Lipid	0.33333334	2.3333333	0.11111111
10	C13 H21 N1	192.17468	192.17487	-0.020350976	192.17467	2038	1055	1460	2424	0	0	0	0	0	1725	0	2764	0	0	0	4269	0	0	0	0	1200	4334	1717	4179	8277	0	0	0	0	0	1382	0	0	0	1985	0	0	0	0	0	0	927	0	0	0	0	0	0	0	0	1383	1152	0	0	0	0	0	3451	0	0	0	0	0	0	0	0	0	0	0	1632	2676	0	0	0	0	0	0	1865	1780	0	1554	0	0	1580	0	0	0	0	0	1189	7841	3254	33034	0	1772	0	1273	2133	0	0	0	0	1541	0	0	12801	0	0	1240	0	Lipid	0.0	1.6153846	0.07692308
4	C13 H21 N1	192.17468	192.17499	-4.29989E-4	192.17468	8056	8267	5450	10393	15438	854	3025	14194	844	9116	3365	2773	31141	3473	2004	9750	6553	4164	9386	9552	8871	6041	1171	8867	4821	591	4510	3567	4909	6315	6999	7868	7314	5927	16138	5532	6479	2382	6013	2755	1005	1947	0	0	0	1537	2330	0	10354	12918	7521	10042	5048	0	1261	301	3221	11102	0	0	9936	0	2301	1370	0	45182	3626	12268	0	0	2177	8620	5731	9400	18559	6990	0	2427	7070	0	4658	360	1097	1844	333	450	8591	4120	3621	90523	6178	0	14299	3295	6389	0	5858	4831	3335	381	1090	5934	2132	2468	0	9649	644	0	10654	13392	Lipid	0.0	1.6153846	0.07692308
6	C13 H21 N1	192.17468	192.17496	-0.024787903	192.17467	3016	4018	3670	3367	0	0	506	4730	0	10781	4525	1258	0	0	3346	6893	1241	0	1591	10099	10686	1318	7372	14623	16314	1477	1373	4804	1489	1293	1476	2013	1814	2066	9422	1732	1074	3708	927	3445	0	715	0	0	0	2396	2371	0	3411	3380	4709	3704	0	0	0	0	367	6988	0	0	3753	1484	0	0	0	973	781	2997	0	1781	0	3944	2515	2331	2045	1957	0	1511	21974	4696	16931	0	0	6366	0	0	13886	1339	0	38193	31113	0	44318	3395	8651	0	3836	3352	0	0	0	1102	2463	0	0	27476	0	0	9634	0	Lipid	0.0	1.6153846	0.07692308
14	C9 H4 O5	193.01315	193.0134	0.044558782	193.01315	8201	6113	3735	4411	16913	10151	2953	3975	9284	12208	51780	3660	11272	27854	3656	6193	4971	7177	13351	2149	0	0	5445	4511	1296	0	1214	54243	3240	2632	5158	0	6263	4087	8645	3947	3531	2657	3166	0	0	7747	3402	645	822	1389	0	920	4137	2784	8466	9353	10649	916	3976	5049	6342	8697	0	0	0	0	15724	7336	12074	19228	11658	3191	0	0	0	4205	5170	3026	3520	4041	681	3233	4157	14827	4332	1238	0	0	5257	7045	4076	8926	15671	7784	7732	14027	3962	19765	2750	1406	8972	8395	10102	5728	4884	7505	3836	0	0	6475	3648	638	2699	9289	Phytochemical	0.5555556	0.44444445	0.0
4	C8 H9 O4 Na1	193.04713	193.04736	0.29519308	193.04718	0	0	0	0	591	0	350	0	290	0	0	0	0	0	0	475	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2282	0	0	0	0	0	0	0	0	0	480	0	0	0	0	0	0	0	0	0	0	260	0	0	318	0	0	0	0	0	0	0	20978	0	0	388	0	0	0	0	0	1862	0	227	0	0	0	0	0	0	0	0	0	0	0	0	0	302	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.5	1.125	0.0
8	C8 H9 O4 Na1	193.04713	193.04735	0.27574202	193.04718	1081	0	0	0	1173	2321	1703	0	705	0	0	0	0	5987	0	0	0	0	0	0	0	0	704	0	0	0	2730	0	0	1379	1661	1365	0	1875	0	1158	0	1270	0	0	0	0	735	351	0	0	0	854	1335	892	0	0	1552	291	0	0	1141	0	0	0	0	0	1608	940	3290	1514	2755	0	0	0	0	3095	1787	1308	38228	2174	0	1044	0	0	649	676	2152	4558	0	0	997	1662	878	0	0	0	1304	0	0	520	1039	0	0	0	0	0	0	0	0	0	0	753	840	828	Phytochemical	0.5	1.125	0.0
6	C8 H9 O4 Na1	193.04713	193.04732	0.17537732	193.04716	0	0	654	642	796	0	0	0	0	0	0	573	0	1782	0	1427	0	0	0	0	0	0	562	0	0	0	2214	0	0	1162	941	1041	0	999	0	0	0	0	0	0	0	718	0	0	0	0	0	386	1097	744	616	0	592	0	0	0	793	0	0	0	0	0	0	0	1744	0	1984	0	0	0	0	663	1783	609	47951	994	0	506	0	0	0	0	0	1198	553	0	0	749	621	0	0	0	0	0	0	357	0	0	0	489	0	0	0	0	0	0	431	0	0	794	Phytochemical	0.5	1.125	0.0
14	C10 H8 O4	193.04953	193.04977	-0.04187516	193.04953	142411	141114	123164	150228	208905	265445	112519	150164	199214	81550	111984	101102	289803	392740	157758	139414	105191	282951	243061	62083	65345	93812	157045	94776	98478	36088	114721	122905	152632	178988	148423	191764	143161	166288	99119	167379	133930	132319	111961	50831	53956	170228	53995	39847	43987	67558	41965	57536	136225	130144	134311	125964	171161	43090	219185	150549	143915	191516	57306	46753	182680	38718	247116	174272	222343	310294	226678	103984	43868	57483	52064	153165	196019	215154	80359	179331	38245	103572	122056	125398	135616	67009	63546	45456	162422	130745	185164	135569	190826	133205	115096	105159	115205	53418	62502	63403	132328	140536	170188	164341	159302	130950	114111	59391	106127	143645	115313	45046	109282	238527	Phytochemical	0.4	0.8	0.0
24	C10 H8 O4	193.04953	193.04974	-0.006460882	193.04953	27569	27497	20316	24730	32503	157385	20700	21302	30329	12321	16308	18718	34280	220246	21322	21930	23741	32875	33171	14860	14439	20903	26657	19850	17087	15914	16674	15139	17311	17607	17983	23923	25335	16661	23282	22467	22835	16315	18439	16673	14108	59661	21192	19177	36801	17763	13924	31451	22166	16313	22717	24120	24234	21138	30829	29806	25654	25560	12507	14683	23350	11092	35765	26033	112471	28148	30949	19808	15961	11271	17028	21952	18717	19522	12252	24136	25558	19068	21539	12254	25297	20945	19194	13902	27945	19422	18924	22385	30694	19508	27906	11630	22514	12586	12902	30965	22656	29992	31255	30118	24378	23658	24654	15637	19061	17519	15557	24733	19730	29696	Phytochemical	0.4	0.8	0.0
10	C10 H8 O4	193.04953	193.04979	-0.012273381	193.04953	385014	395445	310563	350340	808227	554841	262782	301452	829332	197676	241707	272442	1103937	629862	319131	357618	263793	1056627	892791	219474	212526	263520	389703	267063	253305	91737	255348	201939	329661	327192	282969	348195	421203	289395	292725	288708	411060	290412	323316	165321	163074	458094	157224	137427	179217	202881	131691	179439	307791	230526	383742	423363	618610	134493	878469	553629	343350	437796	153744	150555	396822	101052	947721	717177	367740	1022661	436089	340437	140436	145521	135555	273375	296889	285567	301722	366867	137742	230559	319830	243945	358200	190986	168633	100098	695535	498834	389268	419991	546528	233079	274875	208683	273366	198387	172254	184710	329196	423996	600234	735705	742023	351240	343224	180357	143487	278289	502299	148917	234699	1160166	Phytochemical	0.4	0.8	0.0
22	C10 H8 O4	193.04953	193.04974	0.021900745	193.04955	31196	36272	24629	32430	47189	62774	26840	27990	44529	17267	21366	25491	37275	402516	29146	22362	26295	46729	32338	18931	22270	29657	32460	30940	24633	17037	37222	16528	29250	25296	24843	25174	35727	21255	32552	28874	31069	21898	27050	16947	19268	38810	24204	28652	39009	23983	22505	38156	28092	22004	31131	27581	34089	24160	36531	34569	36393	35173	16168	20584	26827	13969	45459	39568	458421	49717	44442	26974	19430	14892	21293	26402	24145	25602	17706	32626	31017	22054	33373	19495	39105	23969	21208	14649	44472	29603	36740	34651	35377	30958	28421	23899	32948	13882	17618	33632	27095	40243	54918	45465	31959	35443	33067	20134	27583	26929	29589	30149	26252	49713	Phytochemical	0.4	0.8	0.0
20	C10 H8 O4	193.04953	193.04974	-0.041178633	193.04953	49619	58492	37288	38339	59038	74631	34649	28975	54427	28748	20767	27697	66679	250437	41734	34305	32167	63035	73736	20501	24425	42334	44969	36542	32213	22203	31651	18706	34305	34628	28185	33435	45811	33879	34725	34100	42618	31217	29426	25559	23995	45402	29268	30842	37795	28334	26176	41092	30515	25210	39451	43570	45249	22098	50727	47937	45652	39505	32493	16509	36362	22796	59902	45128	105986	66965	55169	34423	21668	18577	33566	34457	35681	33101	22601	37074	33121	25206	38088	26562	48575	27697	26468	19551	47278	39354	41540	39951	50778	43756	40375	29409	41849	26532	17794	37825	33066	44572	53503	50677	56602	43214	39821	30031	74625	30622	33174	32556	37233	67638	Phytochemical	0.4	0.8	0.0
12	C10 H8 O4	193.04953	193.04979	-0.02513831	193.04953	193068	257114	196999	201710	333673	256482	138117	231589	293519	86208	149917	114862	355421	287378	188848	286112	159067	406429	440346	83695	64931	143540	197014	151186	125638	29351	151974	157544	225227	209510	221120	281084	189762	303311	108306	231958	179182	191604	169366	60602	43144	249721	41576	49555	55329	81526	44754	67924	222691	153974	214704	215694	254028	44909	319781	177483	187370	321543	59332	53565	277003	44403	447410	231879	184415	596101	367174	158683	38470	55206	48539	245424	279729	246016	165959	317150	37011	132577	142034	131805	162684	82994	61011	37172	210041	185836	209186	243573	298637	180471	161864	134529	141554	72127	80816	70092	208499	201750	215465	215097	216913	186251	156698	66211	42395	186024	179144	50117	120844	430089	Phytochemical	0.4	0.8	0.0
8	C10 H8 O4	193.04953	193.0498	-0.014817507	193.04953	94457	124084	71154	111860	234989	141283	68567	80046	245527	45690	67890	76454	308774	184944	85340	92077	87684	259010	275640	61877	55105	78073	115096	69184	58812	25019	69104	45413	85794	82173	78810	90661	111393	76910	85913	79443	104077	78797	101174	49012	50498	136663	39885	41523	61250	58913	46420	55781	92317	66211	91445	107246	173875	41589	235630	180760	133434	95193	45792	45032	98694	32915	314203	218884	108949	253463	127475	88508	43415	39899	37060	73982	85970	74123	63368	107874	43618	71115	91659	36526	94820	60786	48354	32751	188500	118008	96726	131970	181126	74319	56102	57849	70888	49754	35824	57332	104759	107317	179008	248274	242634	104431	98948	50426	36351	71767	166146	43496	63964	314849	Phytochemical	0.4	0.8	0.0
2	C7 H12 O4 S1	193.0529	193.05319	-0.110592626	193.05289	6618	7392	5832	6225	0	0	54991	25122	673	1911	5732	75827	0	569	5012	13856	19189	2012	13958	1757	889	0	835	2283	1567	0	56639	3346	16816	39001	28573	27989	6137	5621	1234	34425	4440	5587	14680	0	0	6815	0	0	0	825	428	0	21075	27765	5638	5940	1535	0	617	0	29721	14167	0	0	8380	0	0	2269	57356	0	9868	23589	0	1021	742	7219	12070	23676	13281	24526	0	34263	675	0	1071	1370	0	0	1043	2376	1850	471	5781	1237	5236	2751	0	388	424	0	5849	6369	2497	0	758	5941	38968	0	947	1499	452	0	2199	0	Organosulfur	0.5714286	1.7142857	0.0
10	C9 H8 O3 N2	193.06078	193.06102	-0.007700384	193.06076	46064	45236	32903	33139	31290	24402	43096	82504	18728	6904	8045	56577	15912	16027	43228	111170	95861	35862	38594	4910	4931	57505	43473	97534	41029	0	42005	11088	60582	53264	50221	55350	70224	63141	10249	47085	60426	41585	108628	3304	2274	42595	2908	3660	4183	15710	3188	4166	68807	65724	38911	39381	39664	4611	20543	8337	16294	88400	4743	5710	100676	1457	13285	20392	16615	31267	35692	112168	0	3763	3765	71131	51942	33623	62518	60261	2080	43684	52723	9619	51023	9549	4559	1684	15515	20262	55807	51827	36758	180711	12046	7209	155681	7408	3242	4880	35681	40585	14070	13368	10596	68698	52896	5706	0	96190	19145	3559	64424	26254	Unclassified	0.33333334	0.8888889	0.22222222
6	C9 H8 O3 N2	193.06078	193.06105	-0.019715838	193.06076	17952	16220	14708	16358	23689	12644	16837	14705	18915	4616	5987	11167	19649	12323	11697	21972	23161	31642	27948	4854	5838	18316	15041	23102	9907	1728	14912	6523	19280	15298	19831	17434	27011	17966	8988	13017	26374	14794	32837	4797	3803	20771	2198	1696	2291	6758	3558	2264	20373	13890	17891	18810	23665	2333	17803	11538	15182	27695	5033	6133	25555	2597	21409	17186	10863	22940	20207	33275	3006	3895	4934	15628	14427	9691	13577	14615	1696	12059	13485	5400	15900	6682	4195	2786	16464	16078	16890	30125	22560	46333	4523	7988	39677	3669	4546	2620	17234	15375	12368	12177	15148	26046	15383	6609	0	28810	15574	1821	14674	33959	Unclassified	0.33333334	0.8888889	0.22222222
12	C9 H8 O3 N2	193.06078	193.06099	-0.010122312	193.06076	8542	11932	11358	9078	8447	7060	13240	8887	6143	5359	3288	9599	5565	7815	7153	24454	16582	8705	9755	0	1967	8694	12082	33691	9192	0	9831	0	11704	8616	11336	15888	16203	14005	3520	8053	14300	8737	29847	2132	0	7900	2628	2535	2918	5943	0	3746	17709	6675	8732	7540	9841	8989	4024	2016	6089	27616	0	0	21567	0	3771	2729	4845	7040	5818	22258	0	0	0	9410	7741	3603	11629	7859	2089	7906	13931	0	14571	4869	2593	0	4091	4668	22382	13892	12352	57850	3162	3699	26652	0	2284	2931	9890	8728	5147	3627	2831	16751	8496	0	0	21423	4149	3345	16902	6659	Unclassified	0.33333334	0.8888889	0.22222222
8	C9 H8 O3 N2	193.06078	193.06104	-0.011306245	193.06076	28610	36806	30194	34371	42128	29429	24004	46277	27785	8961	9687	43205	26178	22875	36704	53239	71509	45940	50976	9449	6506	50000	35897	56349	22739	1254	22414	5806	38674	32436	42126	46277	57297	35080	13154	34654	59816	35583	75775	4568	5327	44456	2598	2162	2703	12862	3867	2505	43030	35275	32836	35750	43603	2592	32119	12809	23855	52275	5070	4354	55399	1350	27153	30911	18364	34777	41901	78755	0	4879	3520	38717	35104	22509	33569	35563	2170	31146	37424	8607	27069	6837	5780	2851	18385	21277	36270	55167	50525	143663	10426	14135	122017	7200	5785	2893	33213	32007	19953	17374	16571	50979	40781	7883	0	74383	26594	2052	30200	45357	Unclassified	0.33333334	0.8888889	0.22222222
6	C7 H12 O6	193.07066	193.07097	0.10329065	193.07068	1831	1253	1533	2584	1936	1830	0	0	934	6183	14485	0	4533	2981	0	0	0	0	666	0	1960	0	0	0	660	0	0	43148	0	0	792	0	0	0	3414	0	0	0	0	0	0	1664	2368	547	720	0	0	3037	0	0	2576	2428	1552	1203	972	0	7506	0	16493	0	0	8051	11251	935	22020	21299	12886	0	0	0	0	0	0	0	0	0	590	0	566	35442	0	5146	491	0	2853	4696	0	2579	991	0	3448	5586	0	32207	4768	519	1573	2291	0	488	43464	0	678	0	79580	0	602	3438	0	1338	Carbohydrate	0.85714287	1.7142857	0.0
6	C8 H8 O2 N4	193.072	193.07227	-0.041898374	193.07199	12678	16007	9954	11584	7393	42463	9054	12645	4160	3523	2197	2735	3785	27047	4757	29385	0	35249	25342	0	1234	9267	9116	34872	13110	468	8929	8128	28980	14935	33407	26022	20310	22846	952	25879	18163	4342	10485	0	0	6652	0	0	0	6041	0	0	29435	10952	15906	12424	8724	0	1835	960	3358	33821	0	0	27454	0	6165	3147	5656	19948	20158	16334	0	3098	0	12620	31073	22629	9898	19828	0	2853	7485	0	9367	0	0	0	2610	7334	15655	10165	0	34997	0	1540	32252	0	0	0	11280	14437	2266	548	901	27691	4229	0	0	47765	925	0	14426	5840	Peptide	0.25	1.0	0.5
10	C8 H8 O2 N4	193.072	193.07227	0.026784763	193.072	3451	2429	0	2308	4847	1740	3364	8713	2229	0	0	2012	14277	6005	4738	7062	5406	1629	3627	0	0	3902	5998	33859	9920	0	2579	0	4864	4142	6565	1638	3668	2374	0	1662	3863	4856	6375	0	0	1182	0	0	0	4249	0	0	3360	6167	2834	3215	2392	0	1108	3296	765	10045	0	0	12780	0	4027	1029	1254	6151	1722	6535	0	0	0	7837	1332	1088	2110	2510	0	2203	5176	0	8027	0	0	0	2706	1631	9896	2950	2673	10472	0	0	14787	0	0	0	2827	2889	2455	4715	5264	3042	2100	0	0	24753	3595	0	9221	5249	Peptide	0.25	1.0	0.5
2	C8 H16 O3 S1	193.0893	193.08963	-8.03082E-4	193.0893	663	0	780	697	0	53838	0	0	0	316	0	0	0	0	375	1409	785	0	0	0	0	0	0	0	308	0	0	0	578	412	974	0	0	0	363	0	0	425	806	0	0	0	0	0	0	404	235	0	677	0	815	0	418	0	0	0	0	859	0	0	0	0	0	0	0	0	634	888	0	0	0	0	0	931	663	673	0	0	0	0	0	0	0	0	0	316	421	532	0	0	0	0	0	379	0	0	559	0	0	0	0	0	0	0	305	0	0	0	0	0	Organosulfur	0.375	2.0	0.0
0	C8 H16 O3 S1	193.0893	193.08958	-0.11115155	193.08926	120457	98432	102416	89075	21207	7028253	0	99134	25764	0	0	28480	2774	18340	15641	8719	0	64410	16664	0	1021	10451	22833	8150	33832	0	1747	0	198918	69330	105324	38679	205856	50364	1786	32904	59505	6223	0	1259	0	363166	0	0	0	3504	0	1288	64795	28918	91671	86865	21596	634	1764	1059	1501	41680	0	0	20171	0	2917	7411	988	29205	44353	0	0	5520	0	80668	70650	86166	0	71703	0	99512	0	0	0	0	0	0	0	0	800	102817	12116	0	1802	0	12803	0	0	759	110720	85990	8734	0	0	35281	92226	0	0	48314	0	0	0	12526	Organosulfur	0.375	2.0	0.0
14	C10 H12 O2 N2	193.09715	193.09737	-0.031613752	193.09715	13405	14845	11451	12815	5590	3322	9527	8981	4100	3192	6095	12203	2373	5013	8903	21391	13135	3169	4115	0	1647	23426	6441	28313	16326	0	12806	0	8270	8740	9028	15190	11309	17230	4841	7989	14167	7730	15623	2155	0	7005	0	2494	1991	4963	0	2419	15575	10740	15424	9049	5997	1709	0	1133	6978	22745	0	0	0	1434	2729	2343	3762	2726	4914	18783	0	0	0	16278	12553	6868	7112	12421	1660	8747	9514	23732	6475	2448	4695	1590	2009	4844	18456	8558	9691	82439	15501	17708	57822	6898	5722	2640	13007	8277	4342	1977	1184	12233	11700	5468	0	39037	4620	2087	45505	2654	Peptide	0.2	1.2	0.2
12	C10 H12 O2 N2	193.09715	193.09738	-0.09860758	193.09714	12289	18387	10730	12414	12207	5218	17217	11128	6494	6277	6103	11942	3008	7719	11643	23372	20560	8524	10844	9515	4323	16057	10031	24859	12872	2600	14612	0	10835	13050	13367	19618	17280	16359	5631	12659	20681	9632	25668	4528	13820	12954	1440	2223	2366	6445	7318	2668	16257	12625	15138	13335	12124	2379	6160	2419	10861	22303	0	6680	27851	2541	5382	5385	6216	8736	7697	25968	0	2144	3429	15150	15673	9322	23770	18792	1240	11743	8569	16346	11813	7561	7522	4076	4063	7143	13862	13528	11488	32922	18332	12346	36244	6330	9518	2335	13232	11208	6092	3693	3166	17016	10750	9801	0	20183	8730	2101	14524	9265	Peptide	0.2	1.2	0.2
10	C10 H12 O2 N2	193.09715	193.09738	-0.09778358	193.09714	30954	30103	25144	24468	37341	17486	32902	46849	11012	14447	12712	28599	10417	9086	29826	63250	63248	22399	26840	19260	15003	35343	24985	53797	34011	7656	49908	17955	34876	33126	29612	42242	52700	32752	18232	32372	44562	28169	68733	18181	23439	26282	2918	3463	2353	19933	11533	3247	43533	30152	30159	30908	30424	3003	13121	4800	18573	51940	14369	23046	51564	9652	10722	11183	12128	16012	19391	67979	9544	9268	11161	38582	32810	26689	41704	29221	1232	21199	31430	22772	31137	16366	16985	14065	9263	16197	36161	30999	22738	82323	36486	25118	68587	12476	18354	3002	26807	29781	14214	7661	9770	43694	28319	21809	0	52486	20923	2690	43231	13316	Peptide	0.2	1.2	0.2
4	C8 H16 O5	193.10706	193.1075	-0.022301454	193.10704	727	632	671	1306	0	474	0	0	0	0	10901	207	0	0	0	0	0	403	0	2674	745	0	318	375	0	477	0	29096	0	0	0	0	0	0	0	0	0	0	0	0	438	0	0	0	497	4361	9349	0	0	0	1037	502	0	440	251	483	0	0	491	769	505	1763	227	0	0	363	220	0	7870	3967	10411	0	0	388	0	0	656	203	0	119807	0	374	0	0	326	263	348	0	0	0	0	996	0	18391	3935	0	0	1489	0	0	603	0	0	2677	4817	0	377	0	0	356	Unclassified	0.625	2.0	0.0
6	C8 H16 O5	193.10706	193.10733	-0.045984916	193.10704	1187	1341	2065	1678	734	1081	1016	914	438	4543	7803	0	1759	5093	976	0	0	0	0	2814	2192	1167	656	980	0	1594	776	25113	1295	897	715	825	0	1239	1321	1178	0	455	0	2106	1161	1161	3627	864	1160	6179	3733	713	0	0	1782	1137	0	1974	591	439	1816	952	10218	1481	5427	7865	2582	0	4851	1456	3935	0	3652	3778	4724	923	1086	1464	0	632	1783	529	739	24335	494	1323	728	0	2057	5538	0	997	499	0	0	996	0	14939	4469	877	1350	3193	1348	1115	2359	0	455	3211	199623	784	1379	933	982	0	Unclassified	0.625	2.0	0.0
0	C7 H16 O4 N2	193.11829	193.11882	0.25954446	193.11833	0	0	0	0	5471	0	0	0	2109	0	0	0	20510	0	0	0	0	6002	2529	0	0	0	0	0	0	0	0	0	3602	0	0	0	9255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4563	1967	0	0	0	0	0	0	10846	1635	0	4952	2199	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	761	0	0	0	0	0	0	463	0	0	20055	Peptide	0.5714286	2.2857144	0.2857143
12	C9 H20 O2 S1	193.12567	193.12582	-0.2256835	193.12564	2784	2138	0	1561	0	0	5475	4434	0	0	0	2206	0	0	2134	21737	10138	0	0	0	0	0	0	0	3581	0	13283	0	0	19451	5041	2299	0	0	0	3883	0	2062	12472	0	0	0	0	0	0	0	0	0	1727	20253	1877	1549	0	0	0	0	0	3333	0	0	0	0	0	0	0	0	0	9628	0	0	0	0	0	2983	57971	7575	0	0	2831	0	917	0	0	0	0	0	1528	0	0	0	0	0	0	0	0	0	1826	0	0	0	0	0	1807	0	0	0	0	0	2744	0	Organosulfur	0.22222222	2.2222223	0.0
4	C11 H16 O1 N2	193.13354	193.13383	-0.07612109	193.13353	152037	161157	137284	139950	19934	38333	139535	243545	14900	53763	35911	151942	5746	6367	101141	267162	248464	48995	72079	29268	45131	140641	100345	237823	124692	4557	139649	37825	187236	190646	192254	232498	432732	290049	87189	281075	315216	115880	245426	12785	14278	72499	0	0	0	42691	12066	0	286380	227375	147657	121453	49234	238	12332	1996	27869	270822	1133	13775	270793	5530	3648	17953	26127	37789	53425	331675	3777	17942	24775	256321	265414	255988	321656	242934	0	164880	112861	22046	90635	6174	5973	12706	2766	27946	154319	113237	134950	315572	29711	10688	366640	12401	17340	490	115507	153413	12455	3408	3421	386067	133012	28743	6256	361262	11685	371	138179	13701	Unclassified	0.09090909	1.4545455	0.18181819
24	C13 H20 O1	193.15869	193.15889	-0.045118604	193.15868	101174	108530	104729	106338	90419	75178	373636	86281	62754	76871	104935	78493	64164	239307	86784	113254	165311	69632	97663	74908	90273	62600	70817	72091	86766	86673	327035	179270	91074	87994	63689	98601	89038	69070	80732	107957	91024	87176	164006	48016	82518	91990	71555	39377	58315	57411	114327	43076	97487	79452	103966	101707	82645	53131	75476	76167	94529	109097	73175	113010	115756	55844	104037	64324	180759	108316	144358	150491	65130	44343	80408	57246	67224	97117	105590	87350	69792	69223	95121	308720	76691	118273	159350	178716	101103	88410	132657	65756	88349	211211	334327	248113	110111	101168	79435	45292	108869	118787	91659	81945	113860	107941	72325	101813	112905	81441	94163	49034	108267	62092	Lipid	0.07692308	1.5384616	0.0
26	C13 H20 O1	193.15869	193.15892	-0.027743716	193.15869	51871	54553	56823	51872	48607	36544	173382	55929	41015	33508	45194	42965	38341	101182	54735	62368	86855	30477	53173	41386	38437	35278	42604	43433	55181	54776	181086	102664	61960	66914	44705	58500	58338	40076	34433	73064	56067	60025	105512	35494	45009	47384	22269	22778	28384	32607	39973	22420	63936	50545	67710	57170	40387	22654	37756	51791	60202	77734	41370	46558	61582	32246	48914	33504	95111	46789	64660	102392	46252	39293	49157	33240	36418	65224	58850	65077	28828	40187	55879	111398	43723	53504	71432	65725	58408	65872	95080	45848	47346	106706	136070	112997	62335	36623	36473	24028	54181	62454	52562	64602	107682	70044	43577	48985	49225	47001	70540	19901	58747	37140	Lipid	0.07692308	1.5384616	0.0
22	C13 H20 O1	193.15869	193.15889	-0.058362406	193.15868	115249	122627	104552	109679	129793	89560	400734	75441	71365	88492	129236	79072	72378	493218	90212	105048	199394	92370	80551	103575	115025	91640	72387	60270	107859	81297	435037	149511	95588	79899	54221	99191	95353	68343	86049	97961	82588	79959	209677	42888	81552	89987	61982	23079	31287	66021	138124	28899	94568	76832	114446	108136	105680	36555	68430	93801	96509	135225	50955	132202	114658	44043	165050	67738	273245	127757	170252	211384	52293	51181	84091	51526	62822	85204	124393	93262	49788	57711	108617	281429	74329	105699	219935	223284	118926	103936	162422	89319	103992	280290	257852	195578	143918	107232	91707	34756	99857	126235	118854	129672	133997	104846	75175	94597	97659	92225	115228	21517	116161	74758	Lipid	0.07692308	1.5384616	0.0
18	C13 H20 O1	193.15869	193.1589	-0.08096346	193.15868	36083	38490	35971	39993	34942	31961	140547	32058	14097	26322	36279	21733	31063	137955	21615	48841	87702	24060	31691	43770	37611	42181	30068	24356	29906	48967	145063	43751	34460	34527	20233	33427	33885	26416	32396	37210	31157	26812	75610	8192	30538	30793	13237	4776	5394	14072	30315	6242	34521	26062	39392	38388	28795	7440	12328	29507	31196	55638	12244	33082	44373	13273	45638	13348	77939	39629	58416	78686	17118	17317	31921	19488	23171	40147	56579	30584	6468	15117	42003	56827	26704	31655	109222	186844	30341	32714	48287	25295	29495	131768	68206	51371	87813	25157	29780	7123	44193	37202	39998	37145	51599	33868	17801	26069	15493	30528	28983	5122	38903	20407	Lipid	0.07692308	1.5384616	0.0
16	C13 H20 O1	193.15869	193.1589	-0.08566576	193.15868	21102	14014	13811	14662	14999	11696	51257	13498	7486	5930	6025	8534	12948	35914	5451	23693	29451	8587	13589	4920	6541	11800	9853	12921	10276	17530	46114	7608	18776	13471	14728	14750	16673	11307	5136	15615	12015	9021	27962	3695	13043	19873	6379	4046	3853	8782	10810	5075	18080	11556	10187	9241	12093	4758	4720	12358	10173	20718	2062	10644	23055	3868	15953	6424	19301	17318	25719	32792	7344	8660	8681	14180	13127	20745	24593	18260	4210	8307	12866	11774	7600	9436	40613	70672	18802	14074	28264	16983	16478	44527	10496	15456	0	8640	9781	4686	12899	16523	14841	21131	20032	21189	9089	8136	0	12796	17303	3823	14403	6214	Lipid	0.07692308	1.5384616	0.0
20	C13 H20 O1	193.15869	193.15889	-0.064076744	193.15868	85219	91580	83195	78976	71819	64910	313466	58089	39806	64193	69511	45926	61118	325966	61407	88749	163074	56219	78939	68909	69932	57606	49696	44497	61804	109444	366056	109026	63365	61981	41512	68786	62056	57326	51766	69062	62948	61566	140338	25079	67770	103590	50591	15046	18077	49129	140350	22546	55513	50906	82832	81240	53428	26345	33804	72761	89560	92033	35880	102046	73650	30987	90712	37336	183468	77454	114262	151323	48478	45406	68549	34691	57777	71125	143947	69282	34385	38953	79445	151036	47586	95747	247999	304509	83278	126481	136026	66786	76550	261941	149133	112279	79422	56361	54632	21069	84494	94858	116593	82372	126350	78644	43815	62986	61285	75781	95658	20018	78967	41609	Lipid	0.07692308	1.5384616	0.0
14	C13 H20 O1	193.15869	193.15889	-0.0800158	193.15868	8532	6084	3885	5370	5752	3783	11762	3788	3856	0	0	3745	5701	10465	5059	6826	11399	3737	2527	1715	2470	6133	3113	0	5913	3969	14903	0	6585	8617	5291	0	4129	4705	3839	3875	4660	4253	13907	2931	0	6115	3164	3308	2860	2019	0	3955	4361	5799	7256	6796	5086	4974	3201	5499	5784	11418	0	0	0	0	2967	2746	7288	4588	6077	13897	0	1550	4609	3945	4198	8123	6534	8475	2840	2767	4298	0	5292	2774	10120	16554	7333	6305	11009	3127	4416	28400	8555	5053	11742	2697	1901	3093	3458	6982	8453	9566	10276	5297	3189	2629	0	10372	10870	2939	6787	1872	Lipid	0.07692308	1.5384616	0.0
4	C12 H20 N2	193.16992	193.17015	-0.119220436	193.1699	1090	920	1799	996	0	0	491	1242	0	0	0	363	0	0	1191	9386	0	0	0	0	708	0	1544	11575	7805	0	0	0	0	0	0	0	1115	0	0	0	700	957	0	0	0	0	0	0	0	0	0	0	0	0	1718	557	0	0	0	0	0	10131	0	0	5541	0	0	0	0	0	772	0	0	0	0	0	0	0	0	298	0	441	5147	0	1692	0	0	317	0	0	10080	0	0	31639	15322	0	29627	0	0	0	1475	1501	0	0	0	820	405	0	0	8528	0	0	5124	0	Unclassified	0.0	1.6666666	0.16666667
6	C12 H20 N2	193.16992	193.17003	0.06256623	193.16994	880	1298	0	1053	0	0	0	0	0	2370	0	0	0	0	0	0	0	0	0	1437	2200	0	0	0	0	0	0	0	0	0	0	0	0	0	2670	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	861	0	0	0	0	0	1065	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	636	0	0	0	0	0	2368	0	0	56633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.0	1.6666666	0.16666667
24	C14 H24	193.19508	193.19528	-0.002568567	193.19508	15419	18883	19250	17180	2492	3480	461049	3314	3422	3554	15585	4086	2359	256918	4299	3577	12779	2086	1774	4261	3078	3320	3321	1225	3082	43678	548440	29013	2735	4014	2297	2470	3278	3921	1930	4904	2409	5229	13403	5278	22696	6519	34086	5883	7915	7342	21465	5595	4344	6307	15611	20036	2330	8371	1515	9194	10297	5808	3842	34624	27304	7717	59451	1142	223445	4824	31711	13605	15065	7618	20344	1521	2660	3586	3369	6151	10326	3034	1350	48998	4222	24973	97520	187167	2170	5219	4183	2785	6722	7598	47800	37194	2373	7111	7356	8940	17337	24068	11956	1172	3104	2721	3720	18188	11448	2864	3629	5596	4094	5051	Lipid	0.0	1.7142857	0.0
22	C14 H24	193.19508	193.1953	-0.07442683	193.19507	4444	6439	5845	6289	0	11389	216540	0	0	1908	3235	986	0	158608	1535	0	2314	0	4141	0	2097	0	0	0	0	49695	210837	8909	1314	1531	0	0	0	0	0	0	0	1530	2211	0	4714	5577	6360	0	1390	3193	2976	0	0	0	6057	0	0	2197	0	12339	11867	0	1626	6871	6146	2872	14454	0	98791	0	22753	3791	4142	4807	5497	0	0	1502	1530	2025	2277	1086	0	18836	1349	4612	36781	238202	0	0	2018	1359	4832	1496	27216	11298	1783	1281	0	4027	5174	7798	15373	0	0	0	0	5731	0	0	0	0	0	2164	Lipid	0.0	1.7142857	0.0
26	C14 H24	193.19508	193.1952	-0.016855013	193.19507	7190	9109	8461	6587	4697	4627	93020	0	3205	2633	19841	4143	0	102276	0	0	7585	0	0	0	0	3351	0	0	5675	18483	89041	28195	0	0	4388	4117	4251	2866	1824	0	2739	8268	9290	4462	10598	6380	8895	7934	0	0	12701	5156	6443	0	9998	10182	4684	0	0	7923	9877	5650	6797	15351	10648	6895	22666	2581	124672	2630	12572	9092	11528	6512	8007	3674	3906	0	0	4887	0	4384	6311	36393	3507	19251	19367	28805	0	0	7581	4472	4709	5991	18074	9301	5053	8685	0	6817	6061	7806	10292	0	0	0	3156	7068	10404	2795	5441	5818	7074	2800	Lipid	0.0	1.7142857	0.0
4	C9 H7 O2 N1 S1	194.02702	194.02734	0.07261204	194.02704	3767	4204	3526	4484	22252	12545	2505	1852	9696	1598	0	1406	11326	9827	2667	3819	5981	17623	13937	1273	1747	1024	2625	4892	4399	0	3480	0	2922	0	2261	2261	5483	2933	1581	1975	6756	3212	4346	1114	1395	10963	0	0	0	2761	1439	0	3118	1711	3691	3887	16824	0	8634	5491	3959	5311	0	997	5310	0	5751	7445	2328	10014	5923	4712	0	0	0	1299	1135	591	3355	1054	0	1643	3709	0	2629	572	807	700	6557	6521	4331	9716	7707	3993	2442	1275	2116	886	1207	0	3130	5671	5787	6205	6115	4819	1770	1945	0	4611	10676	0	3342	12019	Organosulfur	0.22222222	0.7777778	0.11111111
12	C9 H7 O4 N1	194.04478	194.04503	-0.013245418	194.04478	13890	21558	19513	19705	21540	23377	17019	25594	20677	3546	7196	13068	19845	24179	13023	30315	29064	34507	31486	3266	2849	13441	16185	22833	13676	955	17009	0	21198	20385	23487	25135	29610	31264	8734	20197	27465	12665	30686	1417	0	26739	3156	3220	3678	5453	0	3899	25006	19970	17842	16843	23944	2638	24480	11477	13144	31038	0	0	29637	0	24731	20190	13086	31009	21905	29253	0	2952	2399	21794	24031	18281	20562	23730	2427	21835	15970	0	17087	4507	2918	1510	17870	13333	20181	27530	25463	32049	9209	7832	29137	2561	4804	5062	17699	22856	15622	14738	14871	31005	18276	5280	0	29147	11161	3540	13516	34808	Phytochemical	0.44444445	0.7777778	0.11111111
10	C9 H7 O4 N1	194.04478	194.04503	-0.004253125	194.04478	22675	18654	18166	17647	33947	24410	18407	18486	30965	5604	8538	17435	40920	31793	19665	31809	20376	41071	41940	4450	4329	13033	19775	22145	16060	1766	22553	6562	21705	19261	19524	26113	30006	29958	8232	22414	31786	16830	28836	4344	4114	27084	4601	2871	4186	6983	0	4663	23469	15018	18055	21676	23956	3746	25975	18960	14821	32535	4322	5010	26801	1264	28596	25930	12917	36189	24642	30913	0	2983	0	19754	18474	16891	21415	27823	3073	19186	20916	9036	18429	7400	4317	2129	19945	17426	22039	33501	35263	26814	11100	5874	26203	5476	6906	5523	17331	18285	22468	24422	19447	25953	18660	4946	0	28275	17353	3625	12035	50335	Phytochemical	0.44444445	0.7777778	0.11111111
6	C9 H7 O4 N1	194.04478	194.04506	-0.024787039	194.04478	9112	13073	10146	11550	15930	9362	8930	9473	19569	3282	5499	9182	23047	13357	8962	13576	10585	25304	28079	3292	3040	9603	10438	10084	6671	1541	4950	4457	9592	8798	13824	10298	23053	9490	8682	8952	14758	9169	17805	2681	2465	14676	3266	2589	3476	5720	2342	3106	11992	8498	10425	11233	16656	3461	19128	11199	12728	15188	2857	3604	15306	1649	27544	14170	8635	22644	17024	16137	2609	2406	3924	10123	8755	9266	7217	11867	2526	8299	9676	0	9500	5306	4425	2222	12485	12907	8914	19163	22429	16965	3151	5501	14888	3082	2446	4152	9917	10597	10623	12269	13867	15627	11394	4697	0	13758	11444	2872	6787	32852	Phytochemical	0.44444445	0.7777778	0.11111111
8	C9 H7 O4 N1	194.04478	194.04506	-0.016776096	194.04478	20550	28341	16651	20478	28148	28810	15361	22970	27251	5727	7230	21516	35852	25524	18204	35904	33768	46354	43967	3258	6396	21481	22816	27238	15954	1753	17623	6670	26297	19610	25174	29185	34668	26831	9523	21589	41518	17548	43805	4704	3637	32236	3040	2592	4126	11372	2867	3490	28371	21168	23079	20844	27007	3900	27094	13864	17195	35760	4256	3839	23782	1875	40667	29645	17062	38299	32795	40551	0	3239	2230	22512	24951	16141	21551	28635	2848	16434	20149	4777	17728	7903	4416	1843	20101	16806	21234	39039	43262	46272	0	12549	47274	3923	5008	4222	20633	24067	17663	19701	20483	33076	19259	6139	0	37012	13513	2595	16058	50308	Phytochemical	0.44444445	0.7777778	0.11111111
0	C6 H11 O6 N1	194.06592	194.06621	-0.070312805	194.0659	0	0	0	0	9530	0	0	2702	3824	0	0	0	29153	4626	0	0	0	7636	4650	0	2391	1911	1568	0	0	0	0	0	5068	0	2971	1752	11641	3114	832	0	2314	0	0	0	0	2008	0	0	0	0	0	0	2806	0	1689	0	6940	0	4940	2450	0	4162	0	0	0	0	41759	3414	1389	8393	13234	0	0	0	0	4294	2597	0	0	1774	594	1274	1115	0	1508	0	0	0	3357	0	815	1876	4453	0	1992	0	2409	0	0	0	0	0	965	2804	2895	0	0	0	0	4373	2174	0	0	38301	A-Sugar	1.0	1.8333334	0.16666667
6	C8 H12 O3 N1 Na1	194.07877	194.07893	0.23934034	194.07881	0	0	0	0	969	670	0	0	0	0	0	0	0	572	0	1100	0	0	0	0	0	0	0	0	0	0	498	0	0	0	0	1207	0	1005	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	599	0	0	0	478	0	0	0	0	0	0	0	0	841	714	0	0	0	0	693	0	0	28882	1290	0	0	0	0	0	0	0	0	0	0	0	0	611	0	0	0	0	0	0	0	0	0	423	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.375	1.5	0.125
4	C8 H12 O3 N1 Na1	194.07877	194.0792	0.20075628	194.0788	386	0	473	0	491	0	0	0	0	0	0	0	0	0	0	618	0	262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	289	0	0	986	0	0	293	468	0	0	524	0	0	0	0	0	0	0	49804	0	0	0	343	0	0	0	0	0	0	0	0	458	0	0	0	0	0	0	0	0	0	0	0	338	0	0	0	0	0	0	301	0	0	527	Lipid	0.375	1.5	0.125
14	C10 H11 O3 N1	194.08118	194.0814	-0.051589034	194.08116	53066	58171	41209	48831	62199	48357	59886	50764	35721	21816	28684	42478	48222	45799	48008	61860	49858	56826	59307	20812	12416	44986	34477	53607	53652	5311	57462	28714	52234	49862	57256	64641	73912	72330	24326	52981	75591	40004	67372	24375	21986	50697	11467	13470	12581	22332	17511	16157	66855	38913	54320	45803	52769	10457	28304	23952	42295	83223	18235	20318	51810	9586	33260	37196	28492	65445	42215	70293	0	8198	11094	58199	54804	49798	41699	59623	11108	38020	56217	25467	42039	22099	28475	12959	35894	27289	82294	68343	71549	102944	76011	48707	97171	16352	24553	15549	55881	40272	30166	29645	24726	74438	50575	24941	0	72444	24024	13722	66234	46187	Phytochemical	0.3	1.1	0.1
4	C10 H11 O3 N1	194.08118	194.08147	-0.04934097	194.08116	78613	91557	72073	83305	244478	65874	60850	82920	107257	33567	39899	69434	215382	58937	61511	104860	128072	341252	160990	36893	40826	80583	67913	79902	50761	18966	61836	30383	87019	72233	84045	81305	122333	76447	57125	83775	109157	64500	143437	35810	36866	101867	16065	14650	19920	46709	37386	19275	92552	75869	79477	63024	236218	14772	119802	150524	154952	117366	30829	47643	101163	19675	140975	104526	53390	246474	79625	120504	21277	28211	29102	66555	79788	80083	83334	93076	11662	54014	75722	25354	67657	42431	44104	26211	88091	77549	77398	118680	118795	122455	41311	36573	124322	26162	31212	26946	74459	81358	91126	98793	94930	105980	78358	47854	31887	95476	175262	17084	60957	158126	Phytochemical	0.3	1.1	0.1
12	C10 H11 O3 N1	194.08118	194.0814	-0.054916535	194.08116	100183	116387	99008	107409	84297	91000	98823	101914	60494	35721	40674	67199	65888	64199	73538	213577	134466	143838	125821	42768	33488	91939	73817	141774	86073	9887	115988	47757	114608	126481	98850	167776	160782	157146	39851	134278	206006	71022	165537	28279	31788	101282	12039	15738	15802	41033	26264	18425	165535	106328	108609	118075	98339	17953	77659	33901	58623	172396	34051	36756	202975	16233	76906	58692	47303	100321	85380	147991	0	19418	14417	118299	125745	114485	184978	142015	9531	79719	75434	35879	68751	35409	36884	18822	50978	54963	107038	129537	106593	167523	102835	65718	163363	21789	43040	16577	100853	113232	51505	47379	42058	220042	75172	52478	0	123428	58536	14647	82136	126126	Phytochemical	0.3	1.1	0.1
6	C10 H11 O3 N1	194.08118	194.08145	-0.055322696	194.08116	143586	182398	126529	153231	213483	127369	216529	198662	146123	55148	54633	133840	145496	90024	119724	237131	240862	242369	227642	58071	60533	143927	118698	194149	100372	16259	196892	48169	219267	156147	180163	208500	299132	202923	78513	175928	296258	124829	313818	34461	46723	139119	14925	12985	15077	63557	53161	13400	214241	140067	167747	160035	191731	13696	168389	83189	107027	235858	51998	69743	212560	27108	150298	110913	74667	183311	147444	292511	24854	35693	38558	163693	164425	140817	174278	191535	10271	116822	121046	39283	119512	53675	65974	29423	98573	106215	160224	173507	172236	352184	64645	67428	329747	37974	48166	14694	143582	127322	93583	90961	109480	266870	149190	89192	29191	222289	126424	13821	109725	237191	Phytochemical	0.3	1.1	0.1
10	C10 H11 O3 N1	194.08118	194.08142	-0.056171168	194.08116	123829	123072	106517	104602	147949	111772	125272	134370	106364	45902	45116	109551	140962	113149	114117	216413	192603	179159	166408	61499	49386	105894	103974	465346	123748	20489	180120	50573	191228	129326	112344	172106	221866	154752	59959	137512	215389	104783	225912	40786	47639	147849	20328	16505	17178	62262	44322	17738	167982	112152	125474	127276	142499	17368	113852	66857	71239	237537	45740	56977	201577	23979	105465	89351	65551	152048	109142	218298	20585	26616	26561	135595	144861	113641	167329	157360	12292	94712	108678	72702	102986	46904	59053	25301	89013	84850	148228	199092	178092	220636	102360	86411	195556	36443	46900	17975	120587	112310	85706	82779	84587	182597	112770	68223	24374	166927	100633	16899	115744	159105	Phytochemical	0.3	1.1	0.1
2	C10 H11 O3 N1	194.08118	194.08148	-0.061601102	194.08116	68517	69538	51591	66639	130512	85027	50058	68643	102097	27008	38285	54886	132644	72986	50176	59975	90265	149458	125540	33260	38394	66378	51167	61557	36674	14696	48687	21946	75190	60035	71101	76142	107687	76029	46988	67420	97316	44612	99805	31774	22662	101434	10537	12797	15068	34048	25512	15682	72060	44623	60275	69501	114705	12643	98407	58956	63614	92967	18764	30790	66652	12266	149756	95525	55020	134942	88097	106837	23533	24601	25604	64698	82031	63083	59856	79183	10806	42993	47236	15472	45006	26505	23614	15259	70335	58245	45850	122052	120253	94536	31394	22100	86418	17591	23548	21481	62553	69244	75578	85972	82714	87744	62397	34560	21330	84099	75533	12880	40916	201615	Phytochemical	0.3	1.1	0.1
2	C9 H11 O2 N3	194.0924	194.09271	-0.06862206	194.09239	10600	9485	8452	9984	13954	0	7657	11991	8243	4958	3705	6131	9797	8283	6522	7595	14259	18358	14546	5143	6198	10725	6519	12654	7479	954	4197	4136	9734	8468	16374	10339	16734	12577	7216	8492	12052	7032	18749	3725	4142	9470	311	0	0	5021	3645	0	12383	7082	8918	7861	15428	319	8608	4329	7109	15669	2225	3201	7988	1860	9854	7348	6811	13496	11154	19701	1384	2825	2849	12068	10554	4155	8808	7436	0	4379	9664	2344	6990	2119	3334	2855	8388	8199	11369	19057	13721	28819	7023	6247	26540	2385	1699	0	9806	9182	6358	4800	5229	12581	6058	5830	1954	17538	7558	0	11467	13986	Peptide	0.22222222	1.2222222	0.33333334
6	C9 H11 O2 N3	194.0924	194.09265	-0.12329427	194.09238	8101	9445	9122	9271	6142	4906	9228	12171	5546	3287	2709	7870	2986	2581	7536	15619	17262	9349	9413	3356	3535	16469	8653	19553	6328	0	8409	3129	10798	9361	10488	11535	14788	9173	6577	9297	15793	8210	22926	2295	3939	7663	0	0	283	5900	2863	276	15171	10589	11279	8882	6184	268	5119	2502	4967	20765	4081	7573	19548	1421	3460	3219	3607	4620	6326	19963	0	1681	0	7453	7969	8006	7909	10142	0	5951	9241	0	8126	3076	4686	2313	4534	5142	11014	7608	9495	43772	6630	7269	36808	2010	3484	316	10047	8294	3440	2930	3083	13641	7809	5226	0	20982	3650	0	10965	5723	Peptide	0.22222222	1.2222222	0.33333334
0	C7 H15 O5 N1	194.1023	194.10266	-0.052128673	194.1023	3605	4205	4447	4639	12701	17549	1988	12223	5492	1600	0	5839	43602	25276	4271	0	2793	28237	12274	1812	7159	4492	8211	5630	6275	0	0	0	37985	4279	17185	10860	66709	28154	4174	12542	16057	2526	1830	1190	0	8113	0	385	451	5109	0	0	9796	4118	6449	4597	15732	555	9152	8850	0	9935	1530	0	4051	0	47528	5440	2417	21366	35452	1406	464	0	0	19163	25950	13502	0	11576	330	7437	2110	0	1649	839	0	0	2172	1551	3041	13876	14873	0	0	3896	6281	0	0	665	4035	6504	1296	3698	1070	7738	3820	0	0	10513	3211	0	2250	67720	A-Sugar	0.71428573	2.142857	0.14285715
6	C7 H15 O5 N1	194.1023	194.1026	0.1012231	194.10233	1589	1438	1693	2072	0	0	5787	0	0	0	7818	0	642	0	0	0	1018	762	0	0	0	0	0	0	692	26818	4452	46321	899	0	762	0	1106	0	0	0	0	0	0	0	7505	0	0	618	765	0	8999	495	0	0	1222	1286	0	889	794	737	374	0	0	0	0	0	0	0	1031	0	0	2316	13687	0	0	846	0	592	0	0	785	473	4589	216208	3297	6265	3812	5102	12042	4495	5263	0	0	1191	0	0	0	66532	0	486	2043	3194	0	1714	4419	0	0	0	0	0	7492	576	2748	0	A-Sugar	0.71428573	2.142857	0.14285715
2	C8 H11 O1 N5	194.10364	194.10394	-0.11733863	194.1036	29903	32721	24922	30336	14363	70656	27846	38557	16154	2501	5318	13016	13268	30616	10333	84347	77948	53111	49672	978	833	20507	22309	52225	23046	0	23750	9696	43051	62771	97598	45448	99696	0	1577	32261	86206	11036	74847	338	0	39825	0	0	0	17344	514	0	42768	45851	29167	29651	48254	0	5501	4501	17603	58474	0	313	83608	0	8080	8120	24934	33891	78171	93941	0	5835	2827	71397	43876	55601	77845	35766	0	8253	17178	0	25511	0	0	355	9253	34070	16656	83005	47332	34303	0	848	41937	322	1855	0	30574	27980	9904	4425	5959	83397	13623	509	310	59943	5823	0	25138	11028	Peptide	0.125	1.375	0.625
4	C8 H11 O1 N5	194.10364	194.10393	-0.14411916	194.1036	29914	33167	28331	20999	3316	5678	28805	101559	1214	1444	2538	25912	917	87706	30867	125480	72373	24350	23080	1118	1096	7291	35583	142415	59883	307	30340	5964	40875	62478	88762	36885	43428	36206	851	33585	52574	21732	60756	0	0	9559	0	0	0	9927	0	0	69308	97257	30996	27219	7523	0	1464	800	3754	77329	0	0	101636	0	536	2201	14081	1797	22740	53768	0	3433	2157	64435	18147	22312	32840	17829	0	30310	65646	6596	43945	0	0	0	1229	16182	45076	39151	38799	114397	5940	1651	123337	0	0	0	25446	33096	1509	1284	1044	46425	21462	0	0	89531	1944	0	52661	1271	Peptide	0.125	1.375	0.625
6	C8 H11 O1 N5	194.10364	194.1039	-0.06607841	194.10362	25410	24845	25034	32704	9704	3662	63769	34573	3939	0	1948	33705	10593	70283	14602	15540	43211	20755	42662	0	0	21852	22129	13242	8834	0	42894	2208	29170	93557	94755	24510	33189	21090	0	16619	22999	21199	62908	0	0	5745	0	0	0	4304	0	0	54870	94179	23197	21516	6629	0	1914	4320	6127	44218	0	0	25434	0	3857	6314	14845	12265	13332	181427	0	1428	5073	105924	48377	17132	26625	22775	0	25998	61383	0	43980	0	0	0	5075	5920	39165	35456	18375	234762	0	1129	30647	0	0	0	25112	13175	5078	5672	7172	32813	36103	0	0	25187	3118	0	30233	8423	Peptide	0.125	1.375	0.625
0	C11 H15 O2 N1	194.11755	194.1179	-0.06538764	194.11754	160605	157165	190761	149915	240605	3940012	178745	351257	244486	155012	205044	188822	136236	190401	268842	190016	236863	253213	201872	141981	188454	174997	157183	160606	137121	194916	136511	298896	309160	143741	354441	175633	354095	246622	171082	185064	150236	249003	240831	138683	146720	239487	176100	189863	194792	149549	152594	170335	183485	205152	154251	161390	260927	181044	150896	146846	202149	231340	133047	158261	212962	128611	118247	152467	392388	155381	256606	212379	182877	133091	151808	216104	202607	175597	121703	226754	192591	244220	155415	159536	152341	138016	132414	147651	170884	258575	194952	268236	241251	218081	138609	144173	309870	165510	145451	187500	143684	214924	492174	153158	155942	159256	192176	150001	155729	219727	216208	187533	179674	161415	Lipid	0.18181819	1.3636364	0.09090909
0	C8 H19 O4 N1	194.13869	194.13908	-0.10861341	194.13866	0	0	0	0	2773	0	0	0	1248	0	0	0	6846	9035	0	0	0	0	915	0	2316	0	0	0	0	0	0	0	2075	0	0	0	0	0	1963	0	0	0	0	1210	0	0	0	0	0	0	0	0	0	0	0	0	2026	0	1632	0	0	0	4164	0	0	0	0	0	0	3235	5351	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5692	0	0	0	0	0	0	0	0	0	0	28844	0	0	0	0	6883	Lipid	0.5	2.375	0.125
4	C12 H19 O1 N1	194.15395	194.15425	-0.064574316	194.15393	10011	12180	10195	9998	4434	45312	7521	21475	1526	18430	7443	7290	2214	2906	4016	27130	9775	5489	8668	12448	16292	10685	3044	7035	5754	6815	8481	13616	14245	13078	23433	13223	13478	12274	28750	13866	13277	5126	11883	8997	3849	18933	1217	0	0	5484	8177	0	17349	17832	9484	9494	4049	0	1573	1210	2353	22815	0	0	21830	3771	3009	2220	3114	5484	12031	16773	4129	8354	11606	16408	13294	17891	26177	13707	0	8298	5636	8040	3964	1332	880	9376	2278	3797	8205	5546	24748	17630	24744	2442	9139	10905	17373	0	10048	10419	2596	1274	2288	10267	6731	4003	0	8829	1933	0	5945	3370	Lipid	0.083333336	1.5833334	0.083333336
18	C12 H19 O1 N1	194.15395	194.15417	-0.06802912	194.15393	1976	0	1749	1826	0	0	1699	0	0	6646	3702	0	0	0	0	1626	2725	0	0	0	2131	2245	0	0	0	9096	0	5832	0	0	0	0	0	0	4998	0	1931	0	3437	8465	11158	0	491	0	0	17058	29092	0	2392	0	2835	3051	0	552	0	0	0	0	1426	5374	0	5084	0	0	0	0	1211	3134	8629	11845	13465	0	0	1402	2247	0	261	1075	0	4499	0	16239	4373	7162	0	0	0	0	0	4341	9357	5029	0	2170	4736	0	2135	2402	0	0	0	2661	0	3003	11046	0	0	0	0	0	Lipid	0.083333336	1.5833334	0.083333336
20	C12 H19 O1 N1	194.15395	194.15413	-0.08959854	194.15393	8396	9239	10674	8560	1810	2454	4195	9381	1276	38250	31901	11879	0	2579	2511	8039	11636	0	0	26281	38780	9195	1547	4757	0	15634	5599	33214	10872	16260	11060	14358	11203	12583	31170	12363	4414	2717	13451	12635	21703	3649	1647	0	477	26400	45724	547	11858	14605	12378	9610	1790	1889	0	0	1637	10192	10096	32297	8718	9346	0	0	1912	2381	3187	17096	13305	13392	19980	13490	13619	23742	13137	12881	1164	5574	1360	26988	2697	25011	13123	13157	0	1777	4128	3550	5110	10143	25574	21625	2846	24821	26155	0	11153	8664	0	0	0	11419	8053	23680	19952	5335	1772	0	3116	0	Lipid	0.083333336	1.5833334	0.083333336
8	C11 H19 N3	194.16518	194.16545	0.04628284	194.16518	20321	27011	22599	22809	0	0	4086	16834	0	5034	2993	7388	0	0	9177	21931	8864	1082	3057	3226	2906	10506	10873	13937	12057	553	13987	0	10677	10016	11682	16180	10330	6928	7703	8870	13081	9504	11565	20326	0	2556	0	0	0	26106	16477	0	19232	14697	16713	20626	1231	0	0	0	3610	91782	0	0	21486	1635	0	0	0	0	1636	30779	0	0	0	13168	9865	4006	24233	22803	0	7801	32345	5764	36204	0	0	3705	0	0	87153	8925	10199	95781	64566	0	21977	44789	60260	0	20080	14628	0	0	0	15077	11935	3199	0	15092	0	0	17117	0	Unclassified	0.0	1.7272727	0.27272728
6	C11 H19 N3	194.16518	194.16542	-0.17934911	194.16515	916	0	3001	0	0	902	5969	34730	0	2330	1593	14649	0	368	22607	102085	0	0	0	10474	9920	0	19733	167551	101605	0	2270	2887	16728	20082	19230	3440	1669	12379	0	14673	5080	19595	8926	1939	0	4855	0	0	0	13711	6469	0	21600	20817	2163	0	0	0	0	0	919	25332	0	0	80431	6797	0	0	5415	0	4644	2537	0	6743	0	20671	6982	10719	850	7777	0	18228	35946	42651	1391	0	0	20710	0	1677	14093	680	2427	4152	58045	0	100213	2320	5406	0	3302	7722	0	0	0	3313	10855	9927	14240	54006	0	0	68414	0	Unclassified	0.0	1.7272727	0.27272728
10	C13 H23 N1	194.19032	194.19055	-0.064955115	194.1903	0	0	1341	1768	0	0	0	0	0	6058	2193	0	0	0	1486	2990	0	0	0	3689	4983	0	4127	3377	8091	11716	0	0	0	0	0	0	0	0	6662	0	0	2855	0	3130	0	0	0	0	0	0	3358	0	0	0	0	1214	0	0	0	0	0	2278	0	0	0	0	0	0	0	0	0	0	0	10079	9719	2023	0	0	0	0	0	899	11917	0	15408	0	0	2876	0	0	7365	0	0	11130	7806	0	27438	2003	5275	0	1823	0	0	0	0	0	0	0	0	9907	0	0	5277	0	Lipid	0.0	1.7692307	0.07692308
2	C13 H23 N1	194.19032	194.19054	-0.16437933	194.19029	0	680	591	697	0	0	0	0	0	0	0	0	0	0	0	277	0	0	0	0	333	0	0	0	376	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	889	749	664948	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	413	0	0	0	0	0	0	0	0	0	0	0	0	0	967	0	439	0	663	0	0	0	0	0	0	0	0	0	0	0	387	0	Lipid	0.0	1.7692307	0.07692308
4	C13 H23 N1	194.19032	194.19064	-0.051876392	194.19032	4151	4714	4357	3862	2092	2909	2865	12525	1259	5061	1914	3802	2466	8409	3782	12873	6445	3433	4667	5658	5331	1950	2597	17125	7996	743	3790	0	7345	5945	9150	6942	7927	9452	5539	10160	7622	2521	5752	2051	0	2408	0	0	0	2324	1146	0	9304	9358	4940	3138	5197	0	2192	567	541	13456	0	0	12509	0	1532	1155	1276	1737	4444	7321	0	0	0	9967	7468	7829	8095	6574	0	4348	6347	0	4662	0	0	1308	585	958	6309	4199	4177	17047	11726	0	29940	1742	3654	0	4765	4092	756	468	562	5841	1868	1798	0	11828	433	0	6649	1878	Lipid	0.0	1.7692307	0.07692308
6	C13 H23 N1	194.19032	194.1906	-0.094332926	194.1903	3700	3144	2815	3044	4790	2743	707	2707	2336	8570	3665	968	1833	6540	1281	92935	0	10431	35780	5887	5850	0	1904	14912	6127	1637	1202	0	4110	3022	1678	2070	1558	2917	7517	5468	1775	1195	0	0	0	1413	0	0	0	1666	0	0	1928	2731	2997	2967	5114	0	4819	0	910	3222	0	0	2856	0	5025	3294	2009	4810	4975	3929	0	1880	0	1807	2035	8951	1811	2118	0	999	5537	0	2169	0	0	1288	2626	2323	2898	2585	5580	4711	21043	0	15361	2413	5407	0	3596	2738	2052	0	968	1252	601	0	0	10673	654	0	3727	3913	Lipid	0.0	1.7692307	0.07692308
8	C13 H23 N1	194.19032	194.19055	-0.06287473	194.1903	3355	4254	2431	2533	2490	1224	0	0	0	5655	3233	0	2800	1854	0	2641	0	15940	51942	5237	6296	954	0	0	1238	4452	0	2713	0	2187	0	3541	0	2187	12245	0	0	779	0	1831	0	0	0	0	0	0	0	0	3397	0	3591	4163	1243	0	0	953	0	6432	0	0	4832	0	0	0	6199	0	665	0	0	4677	3173	2119	6234	758	1892	3548	0	0	0	0	2275	0	0	2358	4287	0	0	2169	5074	4869	0	0	1499	1438	5697	0	3393	2759	0	0	0	0	0	0	0	1942	0	0	617	3475	Lipid	0.0	1.7692307	0.07692308
12	C9 H6 O5	195.0288	195.02904	-0.04010632	195.0288	17880	20599	14056	19446	41588	27305	5375	8153	35105	3474	11382	8093	41654	31883	8184	12621	7027	40909	52714	2055	3571	6601	17628	13991	5473	1633	11146	0	6115	12315	23029	11043	11728	10729	6086	4851	12062	9996	7361	2716	0	17244	6865	3645	5203	5102	0	5290	12288	6001	10325	18525	27285	4546	29859	20924	15236	15870	0	0	0	2253	59095	28198	13865	55913	19374	4378	0	1674	2523	10808	5785	5763	6491	9954	2840	10551	14309	0	17435	5445	1830	0	29895	17516	20395	20168	21470	12911	13528	9541	5869	3877	6951	6418	16764	17131	25776	28064	28430	9794	10695	2959	0	13450	18625	3989	7700	65498	Phytochemical	0.5555556	0.6666667	0.0
10	C9 H6 O5	195.0288	195.02905	-0.025085595	195.0288	12040	10932	11333	8327	40497	26414	6574	6792	35339	3791	5319	9653	65401	34733	8600	6635	4536	45943	43426	2854	3237	6894	13777	7346	6828	0	6841	0	6157	7035	11180	5247	11922	5241	5692	5082	10110	8283	5952	2634	2748	15585	4737	3024	5723	4127	1696	6163	6616	5253	12478	10157	25039	5650	33149	26919	14644	8724	0	1869	0	1822	61075	33295	10972	53184	17830	7600	0	2156	1663	5915	4448	4368	5539	6260	3391	5640	11601	6793	12478	4473	2599	0	32976	14161	9161	12315	20481	6372	6752	4175	7226	5751	4027	6769	10891	12516	23649	31477	34068	9370	9479	3086	0	9829	20492	4246	5552	72656	Phytochemical	0.5555556	0.6666667	0.0
14	C9 H6 O5	195.0288	195.02902	-0.08796831	195.02878	6723	9041	4611	8614	23083	17797	6115	5274	27148	2696	3685	5556	39629	29432	6594	5852	3305	29489	21626	4165	1803	5818	9714	4598	4993	0	6150	0	4345	3449	9159	0	7585	5293	4440	4633	7824	6067	3927	2573	0	10024	3198	2723	4036	2681	3938	5288	6229	2837	8222	7021	15092	3388	19235	13779	14818	5221	0	0	0	1527	35188	20691	11855	31976	10376	5701	0	0	1834	5486	4121	3392	2447	6796	3209	5350	11779	0	12640	2997	1577	1425	24630	11708	11976	9468	16405	6492	7765	6473	6459	0	1738	5857	9039	9067	13254	21675	25787	6071	8157	0	0	8291	12382	3700	5851	37736	Phytochemical	0.5555556	0.6666667	0.0
6	C9 H6 O5	195.0288	195.0291	-0.003559994	195.0288	5400	7867	3744	6325	22564	10514	3952	3830	19347	1708	3633	3117	37971	18093	3483	3674	3249	21159	19694	2582	3522	4518	8236	5976	2897	1723	3236	0	4060	3029	4825	3057	4983	3186	4410	3631	5841	3273	2788	2301	2409	7174	2274	1671	3393	4640	1973	3292	3232	3298	5983	5930	12347	2813	13218	15412	8009	4499	1827	2139	3395	1863	35833	12730	5668	27060	8918	4002	2626	1484	2161	4334	4390	3803	1893	4889	2350	2358	4200	0	4701	3915	2329	1714	18376	7461	4472	9166	11882	3034	0	2417	3228	3003	3234	4498	6003	5812	12325	21317	24762	6796	6704	1701	0	4832	12183	2377	2613	33665	Phytochemical	0.5555556	0.6666667	0.0
18	C10 H10 O2 S1	195.04742	195.04762	-0.051046714	195.04742	0	2942	3232	0	4171	4441	2531	0	2661	2344	3227	0	1805	3088	0	2501	2657	7064	0	2285	2393	5125	0	2894	5427	0	2205	5566	0	1433	1620	2874	2909	0	0	0	4664	1242	4502	3225	3861	2188	663	0	499	0	1712	0	2773	1517	3633	5117	4380	343	0	0	0	5541	2946	2397	3326	2285	0	0	2237	2648	5826	4326	0	0	0	0	2397	0	3463	0	348	1368	1770	10289	0	2988	2793	2141	3033	1491	4020	4254	2444	3404	23614	13138	0	4206	6959	630	1681	2758	1984	2403	0	2495	1893	4106	2365	2424	2085	0	2963	3472	Organosulfur	0.2	1.0	0.0
6	C7 H6 O3 N4	195.05127	195.05156	0.001720286	195.05127	6548	8213	6528	5172	5940	37345	2989	6692	5260	0	0	1882	2991	20632	0	17037	14453	10093	16487	0	0	3494	1931	14046	3166	0	1481	0	7805	8009	34117	4733	42369	4178	0	2759	36619	1528	14876	0	0	12721	0	0	0	2310	0	0	13316	2966	5312	6497	6276	0	608	681	2486	9795	0	0	10943	0	2841	1012	4004	19205	23046	16705	0	0	0	5803	3430	1771	1981	0	0	1192	2462	0	1784	0	0	0	2035	5805	1357	15351	16243	7997	0	0	8835	0	0	0	6598	3984	2745	0	1409	33997	2243	0	0	30899	1156	0	3999	3857	Unclassified	0.42857143	0.85714287	0.5714286
12	C8 H11 O4 Na1	195.06277	195.06302	0.14548752	195.0628	313026	389582	324533	332127	595845	459421	273147	304587	636560	169433	158326	209212	713818	502270	333180	360481	253787	816998	754198	186894	186632	210652	328921	245626	271165	67599	290457	150990	386682	316870	335878	374854	443072	343018	220770	315626	417487	287146	284631	113124	117907	412130	74121	82576	99360	155647	100975	111969	388053	245667	334484	350757	516344	84792	755252	372744	337264	376820	145046	117310	390353	93596	793420	542782	286925	784552	428205	257218	76999	113334	99729	273348	329785	313349	258134	347214	66567	285768	239179	206011	271491	150050	156348	91505	418156	376401	323247	346473	468484	234690	245180	263447	260416	126407	145472	107377	351563	350032	418498	456147	480203	416212	315686	156387	107235	286966	426554	85923	217869	860867	Lipid	0.5	1.375	0.0
6	C8 H11 O4 Na1	195.06277	195.06302	0.23075147	195.06282	220018	242415	178908	227923	359721	229664	182974	209336	372241	111985	129869	158943	439063	283357	175710	211396	241487	495006	460392	124806	141120	129691	204682	169194	128309	67006	156000	88052	223649	212722	191237	226574	301515	208213	151834	214831	282064	164619	276641	74167	95462	273363	89083	71786	98285	146253	114480	81848	222703	181197	221599	230519	304321	87779	352206	306952	222439	237697	111112	116616	219624	69419	435070	264311	179351	412101	263243	277182	95380	79272	95585	171460	202641	218541	283346	222925	80464	140805	156685	85460	171524	132426	137666	85941	341921	254389	202383	251414	301697	173160	118283	112497	154219	88613	99219	88176	202280	217397	256859	369014	446415	299653	191056	141847	116119	158929	306000	77166	140378	482753	Lipid	0.5	1.375	0.0
10	C8 H11 O4 Na1	195.06277	195.06288	0.19277076	195.06282	377718	346738	315353	330326	670530	491954	284392	366452	672221	173193	173618	276122	893506	539163	368837	393753	276731	924671	818942	207917	197476	216991	373721	263155	287617	75440	273902	174954	407601	354721	326591	379868	575704	343615	228335	347577	526389	303604	336507	133480	118474	436402	98026	82965	107861	174811	105643	97057	369659	260722	351790	372205	552517	87702	761060	461419	287016	518037	162610	134931	455391	88488	649230	599501	312493	794870	449076	336250	103629	111961	94330	315860	338792	331006	290478	359993	89206	262518	295144	187493	285282	160574	167766	97839	552371	457034	372348	390537	490974	229486	239884	209690	260677	149679	144523	98352	341004	371861	459914	561124	622815	470421	315975	194970	122907	299401	485325	87061	220294	874903	Lipid	0.5	1.375	0.0
4	C8 H11 O4 Na1	195.06277	195.06316	0.19113827	195.06282	405	437	0	0	900	613	0	0	533	0	0	0	624	2320	0	1038	0	248	514	0	0	568	0	0	0	0	1198	0	0	464	0	0	0	0	0	0	0	0	0	0	0	482	1064	0	0	0	0	0	0	0	0	0	541	0	455	240	481	0	0	0	609	0	1038	316	1112	1010	1256	0	0	0	0	0	0	0	37606	369	0	0	354	0	0	0	862	2527	0	352	0	432	528	447	0	0	515	0	0	0	0	0	0	594	0	0	0	0	0	0	476	0	303	889	Lipid	0.5	1.375	0.0
16	C10 H10 O4	195.06519	195.06541	-0.044245224	195.06517	837901	783249	766399	834295	310465	240770	167069	192376	260809	106452	101375	137347	427250	264794	217339	190666	381869	380735	339560	136112	149220	205965	187162	198627	167344	75786	140105	96075	186730	196929	230537	212769	431646	159174	253630	207134	535111	179034	344179	97160	158632	192050	120749	102831	113044	107694	340592	123736	230383	169302	826242	823224	286747	90081	259405	207151	177861	237025	112864	177184	206038	65662	333642	214381	140745	458980	208980	428378	66143	98439	168151	171384	184779	190621	129920	220691	100205	135229	179432	99467	156740	104913	102328	80984	222106	172218	187254	250699	222907	16391393	164455	221910	21605085	78704	99798	118889	758778	862881	204414	219238	268728	424211	149203	111046	74608	8365187	189658	101710	162665	369711	Phytochemical	0.4	1.0	0.0
16	C11 H6 N4	195.06653	195.06654	-0.5618725	195.0664	0	0	4391	0	1383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5349	0	0	0	0	0	515	0	0	0	0	0	0	0	2263	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	70765	0	0	0	0	0	0	3591	4158	0	0	0	1572	0	0	0	0	0	0	0	0	Unclassified	0.0	0.54545456	0.36363637
4	C7 H14 O4 S1	195.06856	195.06882	-0.1974076	195.06851	18884	23176	23154	19426	1327	43232	10311	48021	2267	13604	25755	11052	655	935	32719	27241	0	3772	4091	1662	579	18859	42094	48779	16628	0	47485	240517	143615	31745	47512	41143	43769	4496	983	59870	6115	26927	0	0	0	23576	0	0	0	13170	0	0	400531	23256	24348	16110	56595	0	1112	524	1798	44278	384	0	22323	0	2553	1220	2536	8972	9961	0	0	4916	0	5149	9746	76843	1959	45618	0	19284	8206	18751	7651	5095	0	0	368	1873	30956	8519	58254	1851	55788	79146	95656	3963	2399	928	23539	19907	10952	0	0	36317	21084	984	0	12681	0	0	2297	774	Organosulfur	0.5714286	2.0	0.0
10	C9 H10 O3 N2	195.07642	195.07666	-0.09396643	195.0764	30739	27059	27898	33423	24930	18580	25589	28988	17904	18296	42030	22380	21327	19272	25208	47997	42911	30230	26067	9540	6997	24714	21434	38059	27334	3203	37179	129561	32470	26265	27338	30893	43612	28841	15204	26760	39669	25124	53356	6847	7730	25071	4138	5930	4805	15527	12725	6129	34984	24071	34181	25170	23691	6457	20207	11229	14917	49368	7718	10149	43977	2909	17868	11763	13508	21177	21327	56146	0	4602	4865	29073	27043	17115	33235	25405	3747	18507	24664	164553	27245	11585	9391	3451	11486	20117	34581	29322	25715	57280	125611	288775	50798	65617	13147	5955	34552	28052	15188	8835	14148	36403	25429	11963	0	42623	19002	4944	30582	27106	Peptide	0.33333334	1.1111112	0.22222222
14	C9 H10 O3 N2	195.07642	195.07663	-0.08280248	195.0764	8019	7914	4306	13886	7134	4306	6662	11482	5994	2228	3797	7240	3403	4815	7337	9281	10444	6259	3693	0	0	9072	7762	5286	6608	0	9173	19059	8315	5162	8478	10057	10599	10549	2994	9947	10126	6750	11069	2562	0	6802	0	3679	4156	2980	0	3902	8439	7838	7336	8120	6419	3434	3092	1748	7908	13486	0	0	0	0	5593	3759	4267	6731	6233	13064	0	0	2238	6811	7634	6917	9332	10140	3104	6655	6249	0	6005	2753	2587	1916	2061	0	9726	9760	10241	10936	153495	111092	12377	4534	3238	4964	7773	5922	4140	4642	3204	10896	7610	4634	0	12496	3444	4148	9011	6216	Peptide	0.33333334	1.1111112	0.22222222
12	C9 H10 O3 N2	195.07642	195.07666	-0.06260167	195.0764	42008	39707	41415	42349	13856	16598	19329	24997	12505	9304	14372	17901	11732	12072	16756	52721	33145	19467	23466	4670	3856	26433	16858	55626	24551	1674	26032	28900	25093	29050	28014	33935	28935	28590	12493	20764	41954	20871	45319	1401	0	18001	3194	4449	4232	12702	5963	4880	34949	21903	41186	42032	14700	4648	10304	5158	12610	37854	9681	0	46391	0	13138	10584	8714	12905	14659	38569	0	3127	2753	21442	20874	20252	39174	25969	2743	16979	28559	31919	25353	7925	11712	2342	7865	10936	24055	20968	18907	57689	1160234	268892	62567	11713	25903	4934	43185	43555	8875	6275	9470	48003	18897	12100	0	37767	8932	4526	25132	20007	Peptide	0.33333334	1.1111112	0.22222222
8	C8 H10 O2 N4	195.08765	195.08786	-0.08737372	195.08763	1750	0	0	1829	0	0	915	854	0	0	0	0	0	0	0	2162	827	0	921	0	0	7254	1718	1938	2697	0	1042	0	782	0	1109	0	1266	949	0	0	0	0	1481	0	0	0	0	0	0	0	0	0	2359	1128	812	2066	994	0	0	0	511	2656	0	0	0	0	0	0	0	0	0	2206	0	0	0	0	791	0	1271	0	0	0	2662	0	1240	0	0	0	814	0	1195	879	0	15301	0	0	23839	0	0	0	1195	0	0	0	0	0	655	0	0	2893	0	0	2042	0	Peptide	0.25	1.25	0.5
10	C13 H10 N2	195.09167	195.09187	0.041075904	195.09169	0	1894	0	1265	0	0	0	0	0	0	0	802	0	0	2013	3827	3400	1224	1410	0	0	0	1194	3694	1014	0	1601	0	1251	931	0	0	2677	0	0	0	1133	1295	2495	0	0	0	0	0	0	0	0	0	0	0	1077	1204	1316	0	0	0	982	2644	0	0	0	0	0	0	0	0	0	3631	0	0	0	1429	0	0	1316	1194	0	0	2272	0	2625	0	0	0	0	0	2872	2729	899	21490	0	0	4457	0	0	0	1587	1550	0	866	0	2666	1165	0	0	2098	0	0	2313	0	Unclassified	0.0	0.7692308	0.15384616
10	C9 H15 O3 Na1	195.09917	195.09929	0.28339565	195.09923	0	1215	919	1050	1009	0	6326	0	0	0	0	990	0	6996	858	0	0	0	0	0	0	0	0	0	0	3173	8322	0	0	1142	1465	0	0	869	0	0	0	2613	0	0	0	0	5275	874	0	0	0	577	0	0	0	1265	0	0	0	0	859	1231	0	0	0	0	0	0	9074	0	3100	0	0	0	0	1761	1411	0	27701	1359	0	749	0	0	0	1585	4421	76311	0	0	0	0	0	0	0	0	0	0	0	918	1162	0	0	0	0	0	0	0	0	0	0	1214	1188	0	Lipid	0.33333334	1.6666666	0.0
6	C9 H15 O3 Na1	195.09917	195.09947	0.20982479	195.09921	763	1279	1666	1729	0	1602	3440	0	0	1894	1053	623	0	24546	546	1207	0	0	0	0	0	620	0	0	611	4508	16787	0	0	561	0	1026	0	952	794	635	0	1239	0	0	3939	1125	3175	0	0	0	0	0	1283	0	1218	1246	772	0	0	1863	2758	1001	1539	1706	1355	1401	1328	0	8780	640	3969	0	0	12904	2386	1187	926	0	60135	850	0	661	697	0	0	2153	4901	50774	0	0	1045	998	970	1575	0	0	0	519	0	1138	1276	629	0	0	555	0	0	0	0	1580	0	0	0	0	Lipid	0.33333334	1.6666666	0.0
12	C10 H14 O2 N2	195.11281	195.11302	-0.15136544	195.11278	27286	40316	35534	34294	16633	10149	34221	26275	8023	7740	6556	17437	7850	8107	14807	72741	49592	9259	16117	8310	7168	35103	15770	60421	19579	6505	40253	0	33011	40999	24815	62500	38833	52477	14641	41540	48225	17266	65125	8932	11879	25306	1743	1416	1674	14206	9904	1432	65953	37242	38163	29776	18892	1541	4883	2943	21088	50145	0	11654	48679	4095	3818	6189	9644	10607	18651	57952	0	10073	11254	40812	41751	38495	68569	48228	1222	19037	17656	0	18545	9878	10972	7259	4407	6572	20354	25466	20358	61977	40394	31554	67367	6430	15748	2714	36142	32894	5604	3469	3210	51697	25924	16530	0	44449	9125	1289	33191	10354	Peptide	0.2	1.4	0.2
14	C10 H14 O2 N2	195.11281	195.113	-0.15034436	195.11278	16138	15557	14523	19614	11009	12973	15019	18386	5628	3089	3141	17399	3117	14043	9465	29384	20780	10359	7552	3039	1918	23327	7155	26385	13518	0	16549	7464	14353	17534	21101	35603	18998	58850	6810	23588	29684	9220	19004	4971	0	16531	0	1717	1248	6683	5814	1797	33941	20237	15989	16179	14158	1575	3147	2382	17960	48760	0	0	30052	0	4011	2216	8254	12960	14987	26069	0	3382	4096	34457	32662	14397	17346	24776	1158	11038	8363	0	9487	3355	8126	2562	2017	5069	14592	29522	19544	47535	31596	19362	47576	3285	7403	2590	17668	9925	3627	4217	2371	21757	16559	9001	0	47868	5603	1795	25367	3706	Peptide	0.2	1.4	0.2
28	C13 H15 Na1	195.11443	195.11453	-0.35130596	195.11435	3551	4020	3345	4166	0	1247	3425	3700	1400	1921	1948	1063	0	2781	0	3187	3516	0	0	0	3940	3964	0	1878	0	0	3150	1449	0	2556	5061	4510	7327	6454	10133	4047	11608	1743	5219	1815	22430	0	0	0	0	3407	9757	0	6758	6623	2864	4892	1887	0	0	0	0	4359	2098	10508	2169	1814	5770	0	0	2917	0	13725	0	1038	6287	7223	8992	2238	2735	5001	0	2582	2161	0	0	2585	3640	0	0	0	1402	7801	1772	6052	5914	9705	9527	0	3046	0	2827	2218	0	0	0	3697	1822	4378	0	19009	0	0	1164	3999	Phytochemical	0.0	1.1538461	0.0
26	C13 H15 Na1	195.11443	195.1145	-0.19675557	195.11438	4418	5022	3949	4612	0	0	3358	0	0	1528	0	3526	0	3909	0	0	5353	0	0	0	6954	6141	0	0	0	0	3171	2133	0	0	6040	6115	10932	5681	9285	5144	18104	2707	5779	0	36636	0	0	0	0	5890	14179	0	8214	0	4168	4050	2659	0	0	0	0	5987	2606	19607	0	0	6262	0	0	4512	0	20052	0	0	7528	8740	11464	0	6276	9239	0	4468	0	0	0	0	3144	0	0	0	0	13820	3270	10026	4076	11878	11238	0	0	0	5106	0	0	0	0	8712	3759	5257	0	23351	0	0	0	3988	Phytochemical	0.0	1.1538461	0.0
24	C13 H15 Na1	195.11443	195.11458	-0.09926839	195.1144	16333	17123	18107	20956	3786	12255	31939	27569	4802	9457	3749	16672	2988	14033	11552	20066	15681	8506	1828	0	16641	15491	2465	10018	7589	0	17065	8849	0	20574	28099	33377	32076	39392	16342	24775	57257	13631	16922	8545	86629	0	0	0	0	24319	51727	0	45793	39025	19714	20921	15897	0	1446	0	4456	21920	23483	94178	14741	17080	24558	5954	1485	11369	0	63781	8456	7225	14455	51712	52316	39221	29035	46546	0	35626	9434	1658	6891	12959	17392	1598	1662	4551	5039	54411	18187	23239	21603	41686	32774	2234	11664	0	15399	14327	2559	1309	0	18202	19796	33985	6450	105558	2260	0	10646	18479	Phytochemical	0.0	1.1538461	0.0
18	C15 H14	195.11682	195.11703	-0.108206235	195.1168	8254	13335	7997	9569	6316	3931	9596	10118	4175	4760	2568	6499	4436	5349	8502	16172	15893	6407	11422	7802	5876	5945	8130	15105	7209	6617	12468	4158	11833	10711	11063	11651	15350	8962	3599	8626	11977	11527	15607	5890	4743	8404	0	0	282	5529	5356	0	13060	9620	6951	7319	7558	0	4269	5076	6683	14122	6918	7419	13715	2429	5450	3476	4738	5211	6112	20635	3172	5485	7753	7834	7784	11088	18390	14393	0	7360	10079	6038	11267	5813	7376	2001	6361	7434	14578	8470	7141	26092	8941	9138	19927	3674	5887	0	8312	8268	7452	8769	7257	12673	11131	10281	2291	11677	3003	0	9960	4806	Phytochemical	0.0	0.93333334	0.0
20	C15 H14	195.11682	195.11703	-0.08471873	195.1168	8962	13181	10187	10018	6969	5174	8009	13699	5848	4211	6951	9636	4210	5480	11775	17090	13189	7740	10024	13582	9372	9617	7640	17859	9595	7380	10702	4548	13246	12322	11441	9811	13257	9958	5534	12000	16837	10772	17049	4928	5410	13932	408	0	302	4619	7854	467	13160	11846	9886	11425	8427	0	7610	5586	7384	17905	5742	8169	12965	2935	6268	6276	7227	7790	7491	16142	4764	4331	4420	9714	9985	11192	15404	11124	0	8594	11549	8278	11533	6292	9229	0	6240	8095	15060	10204	12038	22362	13647	13591	19193	2747	7613	575	6286	14084	9666	7997	8506	16977	13452	9689	6798	15520	4852	0	10262	7129	Phytochemical	0.0	0.93333334	0.0
4	C7 H15 O1 N4 Na1	195.12163	195.12202	-0.05904288	195.12163	0	0	0	0	0	0	0	0	10816	0	142429	0	0	0	0	0	0	0	0	47603	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5830	0	2920	0	0	112345	0	0	0	0	0	52302	77083	0	0	0	0	0	0	8195	0	0	0	0	0	0	23514	31930	9995	8126	0	0	0	0	0	115885	20312	2733	0	0	0	3175	0	0	0	0	0	0	0	0	0	12911	0	0	0	0	0	23988	0	0	16593	0	0	0	0	0	8434	0	0	74029	114303	0	0	0	0	0	Peptide	0.14285715	2.142857	0.5714286
4	C8 H18 O5	195.1227	195.123	-0.058046564	195.1227	3677475	3862143	4372127	4086987	796467	508149	663024	1110200	590778	14103570	14137766	281851	1133725	2032587	337655	1075726	688877	1017232	394312	7739179	5475857	4726799	287264	2171801	449997	1095531	875406	29869290	1080101	0	696093	901735	673032	578798	5898152	808125	829303	327643	577797	8006814	3638186	888664	6926602	142892	316308	11590680	8720249	540908	1310520	920564	4274610	3898788	617913	552143	980726	351260	505104	1288904	3142827	3962310	4306187	8686539	1461731	937771	853700	2707676	0	1013005	7971645	12502623	17139004	823531	721739	826941	411671	599316	282014	283977	474657	35037832	344539	1095074	764926	627861	0	879318	378425	1316499	328412	753369	5293587	4968207	978720	6217764	9276301	409828	4024323	4107856	1367579	415220	730951	865313	280674	8849017	32450289	0	567459	624238	412981	861243	Unclassified	0.625	2.25	0.0
4	C9 H14 O1 N4	195.12404	195.12439	-0.17298286	195.12401	15047	0	0	0	10873	0	0	0	7724	113715	0	0	12325	2884	488	9661	0	0	2187	31246	3974	58169	0	0	0	0	4756	134630	7436	861	0	0	0	0	0	3733	1677	0	3968	145241	23397	0	0	0	1355	97170	51733	0	0	0	0	0	0	3520	2846	1559	915	30911	189029	0	1704	0	4762	31820	1597	0	0	0	0	319664	11727	0	1625	987	0	590	0	1038	1762	0	711	1309	1373	0	0	8348	1472	2202	0	0	0	0	0	82107	1536	0	0	0	886	331	0	6916	0	5617	55863	9513	543	0	0	8305	Unclassified	0.11111111	1.5555556	0.44444445
20	C12 H18 O2	195.13795	195.13815	-0.11480117	195.13794	568953	598645	591708	537168	451272	454142	1346780	352232	278143	411532	440795	299978	332788	6237834	396771	404295	515994	374769	456184	350094	367377	295287	232883	258664	331472	353605	1661532	540228	433812	351461	271644	431581	456090	371513	344223	409761	457704	313996	466644	192419	300978	479157	535443	132426	120767	270548	336856	232751	420978	278678	549702	562599	360786	166742	283141	513445	402490	500381	278731	437673	558468	211854	2966356	261277	3111694	534048	935964	499031	222784	333955	359398	290334	366230	462578	472953	418815	193728	237007	305601	674491	206214	421296	1089357	1150356	353616	344759	450518	401780	431883	599348	692645	528117	437850	278330	285428	254480	536181	605361	503776	383668	465602	478003	271483	405865	326359	329211	373884	174981	327171	741888	Lipid	0.16666667	1.5	0.0
4	C11 H18 O1 N2	195.14919	195.14948	-0.17894457	195.14915	10414	12074	10340	10036	3336	3717	6865	10526	2112	6700	2882	6304	2255	2178	4853	19938	13146	6513	10675	5102	6913	24553	8231	17544	7720	1943	6687	4034	7822	7653	8158	11189	14941	8130	11677	7827	13654	5896	14449	5254	4285	4136	0	0	0	5850	4007	0	14822	6924	10401	10613	4984	0	1943	723	2703	27703	0	0	19739	2089	2525	1910	1626	4157	5115	22309	1220	3500	3123	6139	5449	6491	16204	9879	0	6052	16878	4547	12996	1092	952	3848	1975	1305	15557	6337	9240	64182	9163	2635	57447	5511	7721	0	9286	9711	1671	1339	804	12575	6623	4607	0	22364	1454	0	17246	3690	Unclassified	0.09090909	1.6363636	0.18181819
12	C12 H22 N2	195.18558	195.18611	0.11777949	195.1856	0	0	0	0	0	20460	0	0	0	0	0	0	0	0	0	0	0	2236	6906	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1376	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1956	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.0	1.8333334	0.16666667
10	C8 H5 O3 N1 S1	196.00629	196.00653	-0.055368483	196.00629	3455	2868	1882	2938	4792	2185	1350	1527	2820	0	0	2448	3579	2756	2662	9112	6600	4509	6919	0	0	7573	3033	6907	2140	0	1672	0	2817	1435	1849	2711	4519	0	0	1693	5009	2315	7501	0	0	2832	0	0	0	0	0	0	3695	1523	4178	4143	5857	0	2261	0	1464	7423	0	0	0	0	1534	3103	1353	4186	1889	9045	0	0	0	1896	1158	1315	2891	846	0	1551	5742	0	2989	0	0	0	1800	1671	5334	5716	3438	34431	0	0	20988	0	0	0	4244	3414	0	2114	1668	4029	2199	0	0	11189	2612	0	4009	4937	Organosulfur	0.375	0.625	0.125
6	C7 H5 O4 N3	196.03528	196.0355	0.022396935	196.0353	1561	1983	2114	1609	1310	3088	2577	0	517	0	0	0	0	1125	0	0	11286	3403	1697	0	0	898	532	13425	493	0	2238	0	934	2249	18848	730	7263	715	0	0	5115	0	13117	0	0	1034	0	0	0	2442	0	0	10268	0	1633	1555	18201	0	0	0	0	1600	0	0	4264	0	906	0	693	10095	5863	9157	0	0	0	626	0	0	803	0	0	0	0	0	795	0	0	0	0	1260	0	24287	7267	0	0	0	0	0	0	0	1421	1388	0	0	0	3953	707	0	0	1924	0	0	501	986	Unclassified	0.5714286	0.71428573	0.42857143
12	C9 H9 O4 N1	196.06044	196.06067	-0.06694312	196.06042	43282	52909	43481	47763	39668	88110	28038	38779	43391	17934	14563	23072	65356	85896	37452	50805	42275	92180	84473	8469	11088	40264	31179	39367	35762	2716	38575	11079	46968	44220	44840	48819	84022	47562	23245	40027	102650	41574	52074	12724	7152	42622	25746	10087	12066	13546	6867	12901	54388	30835	49168	44768	33814	10370	36896	20560	28515	62260	11562	7380	45578	3997	51722	29734	23121	53872	48302	43115	0	9081	6316	31199	31880	28953	40868	45388	7318	36095	30505	0	29592	13261	9077	3656	21962	24623	42629	44111	51702	62013	180775	323943	74040	8540	13007	11887	46660	43108	24135	21634	18947	71271	39337	10932	0	56173	19664	9167	33298	78410	Phytochemical	0.44444445	1.0	0.11111111
10	C9 H9 O4 N1	196.06044	196.06068	-0.09002379	196.06041	44649	44235	41176	45197	65334	69290	42270	48844	60408	14237	17847	43235	76013	63169	46545	68872	61228	93491	77238	16436	15274	53307	52709	54393	44228	4265	47877	24536	51050	40666	46171	50981	74594	49087	23278	44767	75478	42675	78821	13535	13975	47681	11011	8262	12641	22983	9911	10495	58635	40436	46700	46297	60717	11400	57173	35060	33991	75403	17200	15568	64441	6901	75168	54294	38163	94610	46795	71186	9340	8394	7432	42674	43556	35552	49093	51130	9591	32488	59962	26534	52021	17784	14479	7091	45072	40649	65883	62878	67138	81761	56999	53442	86899	14285	15134	11331	45988	43991	37005	41662	42892	65769	41852	15893	16117	69715	33942	10351	42531	113447	Phytochemical	0.44444445	1.0	0.11111111
14	C9 H9 O4 N1	196.06044	196.06067	-0.08928657	196.06041	39287	40198	38317	35000	30450	62190	28773	44077	32522	29747	16762	27712	31003	54129	37491	29710	27943	70093	51612	5573	7113	29430	36883	35943	41698	3340	20170	14759	55387	40063	48515	51444	66961	56589	22346	52315	79135	32645	29433	9276	4356	35953	8983	9459	10890	11537	8464	11024	46135	30995	38757	36692	33430	9970	25406	12964	23909	54738	8077	11968	42522	3163	45509	25078	22949	38386	48159	30559	0	3181	3862	44044	52928	47827	18984	44480	8967	27874	24623	20479	29606	9969	10465	3778	18799	18589	42822	41138	56496	51725	132603	276102	76983	7423	7980	12954	36930	36717	17976	18102	16515	43613	30759	11252	0	55980	14040	10071	28621	39408	Phytochemical	0.44444445	1.0	0.11111111
2	C7 H9 N5 S1	196.06514	196.06567	-8.24401E-4	196.06514	0	0	578	0	0	0	0	9527	0	0	0	0	0	0	3224	21092	708	0	0	0	0	0	0	14120	10423	0	0	0	10536	432	488	0	0	0	0	7303	0	0	0	0	0	0	0	0	0	0	0	0	0	6077	0	0	0	0	0	0	0	0	0	0	3214	0	0	0	0	0	344	0	0	0	0	0	0	1870	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18411	0	0	0	0	0	0	0	0	0	0	0	0	3453	0	0	0	0	Organosulfur	0.0	1.2857143	0.71428573
4	C7 H9 N5 S1	196.06514	196.06541	-0.08703319	196.06512	3462	3453	3314	3189	852	3225	350	0	422	0	0	2740	0	2980	325	2357	1250	3513	2207	0	0	0	3892	8244	348	0	0	0	1275	5770	8274	10097	13044	11149	0	3516	9692	2945	0	0	0	3066	0	0	0	0	0	0	12033	0	3357	3194	2070	0	0	0	428	18936	0	0	12118	0	0	0	0	1141	3837	8085	0	1295	0	5405	6028	814	16417	5819	0	3785	332	0	683	0	0	0	0	0	825	11534	5482	28849	0	0	10528	0	0	0	4430	4042	0	0	0	15549	2828	0	0	22355	0	0	814	692	Organosulfur	0.0	1.2857143	0.71428573
10	C7 H9 N5 S1	196.06514	196.06538	-0.08315	196.06512	17984	14439	19837	0	14941	25262	25897	31873	2254	0	1378	19796	4418	13697	14670	72914	44106	24861	6667	1291	1894	3000	13725	76376	26701	0	34288	0	33199	21801	47014	33570	66210	62774	0	27635	85089	17035	72978	0	0	10781	0	0	0	10390	0	0	36304	27480	24518	20236	16672	0	1535	0	5573	58561	0	0	74716	0	4077	2121	4197	9027	11778	77455	0	3658	0	55514	42456	13922	43863	25995	0	16448	26979	0	19992	1186	0	0	1275	4153	35554	58857	13686	61271	0	0	56241	0	0	0	21056	17377	1874	936	1814	62937	15993	0	0	80886	2948	0	34364	7102	Organosulfur	0.0	1.2857143	0.71428573
8	C8 H9 O3 N3	196.07167	196.07188	-0.14038743	196.07164	4552	6018	4629	5847	4047	3185	3989	7262	2548	0	0	7095	2433	1668	6691	10182	15948	6425	6458	0	1464	8441	10610	12627	8315	0	5666	0	6562	5470	6372	7774	4820	6110	1302	4845	9127	6904	14794	0	1201	4358	0	0	268	0	0	0	5375	6156	5233	5233	4168	484	3097	1682	3309	9485	814	1366	9620	0	3658	2941	1945	3563	4040	13389	0	0	0	6771	3816	2767	7854	5465	0	5629	7620	0	7973	1196	2196	0	2390	0	9547	6354	5715	27640	0	0	27671	0	0	373	6289	4914	1658	2126	0	7067	7093	0	0	10773	0	0	14554	4816	Peptide	0.375	1.125	0.375
4	C8 H9 O3 N3	196.07167	196.07198	-0.16974047	196.07164	8821	10770	8336	9615	5790	6212	5005	15405	5868	0	1884	7600	6553	4895	11960	20240	19885	10756	10288	1160	1125	15114	11819	27588	8403	0	6410	15422	18025	12941	16638	10470	13930	9269	1835	10620	12624	10738	23527	0	0	7870	0	458	362	5734	0	371	41577	11144	8627	8494	12772	355	4275	2747	6973	21192	1337	1161	26269	0	9032	5190	6347	10043	6551	20779	0	1402	0	10018	5474	7038	6933	9326	206	6742	10214	0	9431	734	1322	625	6190	8724	10064	16920	12927	37285	3601	4534	44949	0	0	423	8392	9980	4055	3857	4056	14414	9363	1742	0	23567	4547	0	12158	10482	Peptide	0.375	1.125	0.375
6	C8 H9 O3 N3	196.07167	196.07193	-0.10897194	196.07164	4072	6174	5080	4773	5377	5318	5021	9316	4286	1594	1119	4135	4874	2799	4578	9589	10194	9021	11394	1092	984	8030	7674	9660	5484	0	3426	0	5821	4242	6942	5357	7893	6357	2355	5620	8438	5586	10507	0	0	6406	0	0	0	2246	0	324	6911	6177	4380	5151	6251	0	4657	2439	5466	8566	799	2055	10727	0	4661	5157	3434	7773	6428	14583	0	0	0	4483	4810	3789	3874	5274	239	3516	6439	0	5948	863	1313	0	5558	5179	6995	9817	7106	21216	0	1684	22862	684	0	313	5373	5617	2700	2150	2697	7975	4294	1855	0	7814	4107	0	6664	8181	Peptide	0.375	1.125	0.375
0	C6 H13 O6 N1	196.08156	196.0819	0.013846367	196.08157	0	2749	1919	2253	36539	43421	3402	18260	7326	2737	2606	6914	64504	45052	3454	0	4767	52655	28717	0	7917	12128	11053	1777	5595	1642	1834	2478	46988	0	38397	3637	92742	32584	4161	2144	7703	5751	5604	4465	3130	5048	4174	10187	5651	3707	0	4593	3752	0	2285	4162	33256	6279	8271	3700	3408	14079	4373	2286	0	2838	86869	10911	2965	0	62448	7907	1632	5332	2585	25306	24597	0	0	10573	3199	8937	6547	1142	5496	3290	2665	1558	4293	2484	5923	34604	38739	5646	5099	2118	3369	3293	0	11564	2536	2668	3646	4938	3269	1840	13066	0	1382	20223	4837	7936	5250	105646	A-Sugar	1.0	2.1666667	0.16666667
6	C7 H9 O2 N5	196.0829	196.08313	-0.009068787	196.0829	3605	2914	2582	1666	872	10308	1880	13883	0	0	0	1437	0	860	1396	1530	2962	0	0	0	0	0	971	5200	2817	0	1741	0	0	3153	14359	902	791	703	0	0	0	1240	4294	0	0	55660	0	0	0	0	0	0	5640	12836	1852	2546	13097	0	0	0	11229	1548	0	0	5135	0	0	0	586	37031	112569	3413	0	0	0	8774	0	0	821	0	0	569	0	0	3683	0	0	0	0	1153	0	1499	0	0	0	0	0	0	0	0	2992	2953	431	0	912	0	1363	0	0	3528	0	0	1853	0	Unclassified	0.2857143	1.2857143	0.71428573
4	C8 H14 O3 N1 Na1	196.09442	196.09485	0.09940283	196.09444	0	0	0	0	0	0	0	0	290	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	593	657	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	331	0	0	0	Lipid	0.375	1.75	0.125
8	C8 H14 O3 N1 Na1	196.09442	196.09468	-0.006650591	196.0944	1013	1915	1856	0	2491	9255	0	0	0	8912	0	0	2209	3545	0	2378	0	0	0	0	831	0	0	0	0	0	0	0	0	1542	850	1823	3750	1209	3090	1226	0	0	0	1432	848	2987	8249	0	0	1690	8508	0	8768	11139	1589	2404	0	13384	0	0	0	0	0	40845	0	0	4424	0	0	11784	0	1373	0	0	0	985	817	0	82935	3388	0	0	0	0	0	0	0	0	0	0	0	3840	0	1189	0	0	1634	0	13584	378	1412	1265	0	0	0	0	0	0	0	0	0	0	0	12825	Lipid	0.375	1.75	0.125
18	C10 H13 O3 N1	196.09682	196.09703	-0.118858784	196.0968	26246	32698	28227	27410	30645	88897	32776	57816	18675	7521	15081	21811	16229	41635	41815	38287	25414	65267	39016	7061	5708	27062	28340	55593	46505	2385	29990	40151	101977	50513	72481	63533	76484	73355	13460	53721	117170	29665	30891	8518	7289	42434	9547	11438	12733	13454	6680	12657	77137	33707	28385	33216	32327	9952	27158	17306	34768	61995	12182	10623	37681	4954	15801	14210	14655	22447	43673	27518	4022	5472	3018	60111	50306	41016	19503	53092	10859	30808	28623	16102	26890	15219	18564	4361	21610	22124	32347	34974	55889	33652	68343	43410	85659	4713	6658	14854	33150	33748	20664	13120	21752	67010	36141	13565	5894	54614	15189	12723	32511	0	Phytochemical	0.3	1.3	0.1
6	C7 H17 O5 N1	196.11795	196.11827	-0.07543022	196.11794	2009	2755	2488	1571	909	937	0	0	0	2702	9315	0	4948	749	0	0	0	0	0	0	28449	0	0	0	0	0	0	0	0	0	0	0	0	0	2292	0	0	0	0	8909	7385	0	1153	489	771	4825	12066	583	0	0	2454	2768	636	894	0	0	3418	0	25336	10758	0	23547	1129	0	3674	26213	16009	0	0	0	0	0	0	0	0	0	668	0	0	0	0	0	320	0	0	1493	0	0	0	0	0	5014	0	2093	4253	515	1459	3360	0	0	4040	0	0	0	375978	0	0	510	0	0	A-Sugar	0.71428573	2.4285715	0.14285715
2	C7 H17 O5 N1	196.11795	196.11827	-0.22694854	196.1179	701	763	937	1136	0	24126	0	0	0	0	0	0	53378	511	293	0	0	47653	912	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3689	0	0	1983	0	0	0	0	0	9220	0	708	0	0	0	0	414	1110	1103	0	960	0	0	0	0	0	0	286	0	1459	0	0	54613	0	0	0	380	0	11394	2021	468	0	0	264	0	0	0	0	0	0	0	0	0	0	14352	0	0	0	0	0	0	0	0	1246	2231	0	0	0	0	0	0	0	0	0	0	0	12934	A-Sugar	0.71428573	2.4285715	0.14285715
4	C7 H17 O5 N1	196.11795	196.11829	-0.14916392	196.11792	1761	748	981	1038	0	1435	0	0	0	0	1938	0	3131	1729	0	0	0	2739	0	794	0	1160	0	478	1160	334	0	14466	0	368	0	0	0	0	0	0	0	0	0	1403	0	0	2814	393	784	2828	945	470	0	0	1170	1288	0	822	1048	0	682	394	1261	0	4340	939	929	0	2517	4773	898	0	825	0	0	499	0	0	0	0	1222	0	0	20734	260	0	480	282	1932	848	0	1032	0	0	0	720	939	12345	4499	0	935	2960	558	0	2467	0	0	2059	42567	0	392	525	0	646	A-Sugar	0.71428573	2.4285715	0.14285715
26	C11 H17 O2 N1	196.13321	196.1332	-0.20428416	196.13316	0	2420	2039	1843	0	0	3322	0	0	0	0	2995	0	0	0	0	14260	0	0	0	0	2559	0	9407	0	0	2447	0	0	0	2433	0	3827	2955	0	0	3216	3862	18404	0	0	0	0	0	0	0	0	0	5523	7040	0	2734	0	0	0	0	0	5263	0	0	0	0	0	0	0	0	0	30740	0	0	0	4591	3036	0	0	6045	0	3678	0	0	2544	0	0	0	0	0	3706	0	0	7689	0	0	15744	0	0	0	2152	0	0	0	0	0	2810	0	0	42903	0	0	5439	0	Lipid	0.18181819	1.5454545	0.09090909
8	C11 H17 O2 N1	196.13321	196.13345	-0.120432355	196.13318	15476	15903	12796	17385	6037	6442	10563	15553	4458	19744	11358	8917	4738	5878	9102	32567	16591	7915	11368	21369	24758	25193	7334	37873	11106	20264	11353	10250	14831	12170	13115	14871	16577	15002	26949	11191	18146	7976	18380	25353	31112	8151	1731	1222	1189	31282	43439	1303	18186	10407	17611	17483	7449	1626	8272	3415	5138	28428	10016	16960	29616	12954	7314	5206	5045	6367	7624	16829	13428	17049	18313	14922	14979	14524	13860	14634	1127	8553	9052	13765	5712	23580	16328	19340	4713	5242	15496	8918	7932	25915	22624	27765	19639	20225	26119	1644	16018	15764	6528	5720	4932	16522	10068	18693	11985	14501	5147	1147	12167	9389	Lipid	0.18181819	1.5454545	0.09090909
12	C11 H17 O2 N1	196.13321	196.13345	-0.10262926	196.13318	162052	178186	176714	174746	25224	41448	208893	98508	18647	134193	82126	99484	11850	34066	41281	291675	257793	25148	25138	157360	118061	132721	24546	119497	47965	77159	211612	58693	139117	276381	223188	301331	151043	256870	95016	286345	349248	43665	316359	89038	143696	85331	1957	1501	1217	120253	240858	1550	361128	189658	174958	193790	46669	3602	15457	8487	26832	286057	31150	72599	132864	43282	11921	14752	18510	33640	48603	242431	48742	86053	97742	176711	206950	316570	460018	284425	902	55101	22535	47641	23272	85314	64185	58465	11996	27926	43010	94396	54454	95324	212178	159119	82242	68204	260811	2267	179560	168312	14939	8724	10384	314440	102113	116190	37343	192359	20504	1578	66146	18379	Lipid	0.18181819	1.5454545	0.09090909
4	C12 H21 O1 N1	196.16959	196.16988	-0.16585876	196.16956	20271	21302	21204	21649	20023	231171	14923	30527	2234	34397	12671	10478	2972	6233	6612	35679	9285	4442	25333	29800	34013	19655	12479	25079	15238	31149	19510	15964	23996	20315	22643	23093	17716	19786	50562	21452	16309	7195	11201	23079	10318	55355	1439	0	0	15135	22039	0	30284	24411	21768	19648	12633	0	1697	2214	4749	27141	0	0	24943	12783	3670	1943	6000	8288	27304	14863	16282	29140	40962	22491	24018	32252	27358	18216	0	11135	26396	14061	29564	2841	1381	23277	7262	5444	18356	7915	98771	34381	84898	23161	46502	28220	47543	0	20799	22740	4347	2871	4208	12404	9360	12154	7682	28209	7847	0	15883	3266	Lipid	0.083333336	1.75	0.083333336
6	C12 H21 O1 N1	196.16959	196.16986	-0.08437886	196.16957	4285	5030	6545	5173	2425	11082	1378	2621	897	8187	4501	2903	875	3466	920	5295	1458	1731	6014	4714	7130	8383	1577	3508	2339	5193	2039	2969	3146	2960	3024	2224	2919	2136	14155	1580	2432	1462	1543	4476	1118	3006	0	0	0	4610	5036	0	2230	1530	4224	6247	2731	0	0	464	823	10718	0	0	7610	1737	1782	0	1077	3156	3109	1885	4371	9805	11019	3237	3040	2703	2751	3134	0	1340	2332	3032	943	634	0	5414	1011	0	6407	1144	5651	19591	38252	5288	17025	7275	15291	0	5068	4798	0	418	0	2363	1759	1906	0	6031	841	0	2175	1671	Lipid	0.083333336	1.75	0.083333336
20	C12 H21 O1 N1	196.16959	196.16977	-0.036998026	196.16959	2485	7711	6384	6022	2281	2869	2757	2378	0	12960	11294	1138	0	1900	0	3941	6509	0	0	12857	12052	4448	0	0	1504	13351	1882	16225	2305	4621	4141	5427	7374	5533	17715	4613	5383	1051	4205	8352	16210	2800	1546	1310	518	22578	41342	959	6304	4201	3652	5397	2196	3718	0	0	1065	5969	2495	14696	3053	5042	0	0	2375	3203	2088	7212	10831	9833	19964	3492	5693	11193	4679	5108	806	1513	0	11520	0	16235	6251	12041	0	1480	1714	4320	2137	4148	11952	8218	0	6042	13916	1520	5372	4581	1192	0	0	5539	1093	4743	18128	5442	2188	1270	1386	4063	Lipid	0.083333336	1.75	0.083333336
12	C11 H21 N3	196.18082	196.18103	-0.0560163	196.18082	1532	0	3151	1774	0	0	15865	3026	0	0	0	13854	0	984	1405	2399	3498	0	1587	0	0	0	1207	0	1092	0	19598	0	2110	5589	3617	0	3339	2061	0	1927	3704	1264	3141	0	0	10685	0	0	0	0	0	0	2321	6154	0	1771	0	0	0	0	2566	1444	0	0	0	0	0	0	4607	0	26131	0	0	0	0	0	0	1451	1320	3271	0	9830	1842	0	3330	0	0	0	0	19092	0	2294	1567	0	0	0	0	0	0	0	1772	0	0	0	0	2433	10234	0	0	1731	0	0	0	0	Unclassified	0.0	1.9090909	0.27272728
10	C11 H21 N3	196.18082	196.18102	-0.02092557	196.18082	1150	1100	891	0	0	0	2926	0	1371	0	0	0	0	12633	1239	0	2068	0	19353	0	0	0	0	0	2540	0	5567	0	0	0	0	0	0	0	0	0	0	861	0	0	0	0	0	0	0	0	0	0	0	0	1668	1182	4626	0	0	0	16012	0	0	0	0	0	0	0	29673	4673	34769	2883	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5058	25495	0	1221	823	0	0	0	0	0	0	0	0	0	4215	0	1675	0	806	0	0	0	1143	0	0	0	Unclassified	0.0	1.9090909	0.27272728
6	C11 H21 N3	196.18082	196.18109	-0.11109082	196.1808	797	0	832	917	0	0	1130	0	0	0	0	608	0	0	2124	0	3006	0	0	0	0	0	0	0	8580	0	1689	0	0	0	0	0	0	0	0	0	0	3295	2267	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2924	0	0	0	0	0	0	1035	0	0	0	12088	0	0	0	0	0	0	0	27510	0	0	21758	0	0	10492	0	0	0	661	660	0	0	0	0	894	0	0	0	0	0	4041	0	Unclassified	0.0	1.9090909	0.27272728
6	C13 H25 N1	196.20598	196.20622	-0.2068042	196.20593	4018	3848	4597	3983	5261	5907	825	26841	647	3881	1740	1527	15027	23255	955	32361	1438	4265	5442	2943	2465	0	1583	9895	4262	0	2951	0	11890	4485	4644	25870	2973	26077	2945	25231	2366	1012	1344	1160	0	1095	0	0	0	0	0	0	20672	8124	4399	4085	9271	0	1689	3373	1131	22401	0	0	26374	0	683	0	2477	8060	36421	4351	0	0	0	8656	12186	3195	10985	9102	0	2111	1155	0	1984	0	0	1396	2059	1277	0	3475	8186	1574	19446	0	6273	1263	3660	0	3588	4681	1195	1880	3452	2257	1174	0	0	5321	1490	0	1208	1044	Lipid	0.0	1.9230769	0.07692308
12	C13 H25 N1	196.20598	196.20619	-0.13759036	196.20595	2651	2652	1911	3402	0	0	0	0	0	5154	2117	1132	0	0	2013	5566	0	0	0	3503	5261	0	5429	6273	7353	4301	0	0	0	0	0	0	0	0	9274	0	0	1368	0	3241	0	0	0	0	0	0	0	0	0	0	3004	2509	0	0	0	0	0	4052	0	0	0	0	0	0	0	0	0	0	0	4516	4698	0	0	0	0	0	0	1648	8038	0	15889	0	0	6861	0	0	10220	0	0	29676	26451	0	16490	0	3554	0	2063	2994	0	0	0	0	0	0	0	9090	0	0	5972	0	Lipid	0.0	1.9230769	0.07692308
16	C13 H25 N1	196.20598	196.20625	-0.3113159	196.20592	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26433	4099	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10532	13653	0	41724	0	0	0	0	0	0	0	1403	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	1.9230769	0.07692308
8	C13 H25 N1	196.20598	196.20624	-0.13279116	196.20595	3677	5940	5039	3681	25005	27902	0	0	2523	2739	0	0	20399	30310	0	2496	0	16556	70140	1680	1319	0	0	1184	837	531	2249	0	0	0	0	0	0	1418	3152	1104	0	0	1031	1292	0	1968	0	0	0	0	0	0	0	0	4146	4195	6650	0	2563	4880	2717	1264	0	0	0	0	12234	2682	3182	53247	48298	3938	0	0	0	0	0	0	907	0	0	0	0	0	1228	0	0	1845	17492	5516	0	6557	12629	1601	0	0	1617	2510	8051	0	3234	3445	3948	6980	11610	0	0	0	0	2127	8305	0	658	4672	Lipid	0.0	1.9230769	0.07692308
10	C13 H25 N1	196.20598	196.20624	-0.078499615	196.20596	1943	0	1584	0	0	0	0	1323	0	6269	3012	789	0	0	2202	4928	0	0	0	3964	4002	0	5139	7763	11815	3794	853	0	0	0	0	0	0	1049	9325	0	0	2109	0	1533	0	0	0	0	0	0	1667	0	0	0	1204	0	0	0	0	0	0	3337	0	0	0	0	0	0	0	0	0	1196	0	3684	2837	0	0	0	0	0	0	929	13329	0	7419	0	0	4108	0	550	6248	0	0	1529	15488	0	37253	4886	11174	0	1919	1303	0	0	0	0	0	0	0	15537	0	0	7413	0	Lipid	0.0	1.9230769	0.07692308
14	C9 H8 O5	197.04445	197.04468	-0.100276805	197.04443	36639	38809	33820	39063	77877	60086	28774	39941	83531	14353	18858	33778	141700	71306	44013	33834	28010	92165	71224	15730	20043	25899	40837	32850	32020	6902	26053	9914	29861	41416	37362	34682	50772	28576	22102	37164	38114	40222	27092	12355	14347	53770	9506	10773	13803	24600	16005	16052	36100	28214	36804	30732	61154	10425	89154	53692	41626	35283	15663	14981	37015	13108	107736	65587	35565	93726	46772	27210	0	13443	9081	35236	31704	38246	27280	35534	12040	32531	42627	0	42622	21812	15662	11944	68229	38387	49306	33297	57941	27678	22725	17541	29433	12231	9008	16266	38352	39666	48353	65195	69067	38160	42534	18430	0	35216	40749	12802	29043	98202	Phytochemical	0.5555556	0.8888889	0.0
12	C9 H8 O5	197.04445	197.0447	-0.10048081	197.04443	46022	52585	47205	46868	104205	80369	31398	37367	107892	16021	20751	29063	152475	92895	43291	43903	33601	123905	118407	17884	17575	33323	63833	28299	27813	6057	31416	16787	43734	47543	44528	41579	58834	39157	22651	35844	47508	40676	34438	11428	10599	52204	9621	11281	16587	19265	13692	16533	43225	43622	44876	48063	80276	11720	107366	64458	56483	48864	14094	9497	54172	10625	165141	89531	44735	151634	56676	32071	0	12166	10673	36053	38320	38007	28289	41261	11080	33591	42431	21183	43698	18343	16933	6912	77443	54136	51756	47024	68286	35748	28088	27413	38217	16658	12049	16370	42469	48222	70851	87746	84102	46506	43174	15027	0	36761	61307	12654	25133	167156	Phytochemical	0.5555556	0.8888889	0.0
10	C8 H8 O4 N2	197.05568	197.05591	-0.10426884	197.05566	10851	10237	9540	10983	8839	15874	9838	15827	6379	2871	3016	14297	8929	6801	11284	33553	20624	24523	16615	1766	1811	12089	17913	23508	13641	0	16441	0	17147	12543	14874	17479	20322	17238	2598	12617	23296	13484	28185	0	989	17627	1254	1573	1911	5073	0	1824	15430	12205	12523	13182	11141	1959	9302	3117	6026	27526	0	1822	33436	0	15741	7802	5384	11348	12662	29868	0	2267	0	18185	12330	8180	24225	17860	1352	11509	16929	0	12879	1692	1578	0	6998	6780	16676	18974	14506	38700	6259	5451	32116	2460	2291	1624	9921	8311	5118	4543	2900	18934	13090	0	0	26477	3704	1481	14791	29352	Peptide	0.5	1.0	0.25
12	C8 H8 O4 N2	197.05568	197.05591	-0.04766611	197.05568	8530	9749	8298	5440	3486	5240	0	3897	5821	0	1901	4656	3744	5894	2693	5847	7698	10914	8234	1279	0	9875	7381	18114	3480	0	3017	0	3732	4434	7823	7040	16146	8756	2810	2926	15608	3365	14429	0	0	9086	1221	1760	1654	1754	0	1716	7314	2941	10414	11429	3858	1586	3443	1218	5069	18361	0	0	0	0	7368	6149	2450	5033	3484	19114	0	0	0	6101	5022	1794	15659	7201	942	2429	3675	0	5252	945	953	0	1765	0	5608	15816	14386	32190	0	2569	29397	0	1275	1540	6199	8421	2965	1262	0	22520	11151	0	0	19986	1594	1516	5441	8852	Peptide	0.5	1.0	0.25
8	C8 H8 O4 N2	197.05568	197.05595	-0.04988186	197.05568	13331	16458	10867	14459	14245	20823	12121	17132	14987	1541	3236	16844	15259	11959	17965	22402	27223	29225	30925	1199	1192	13837	20621	20942	12185	0	12404	1587	16511	9443	15365	17288	22603	15812	4924	12216	25309	15734	32954	0	1359	19786	1224	1423	1819	5135	1212	1219	18304	13723	13752	15464	18760	1930	16264	6240	13269	22003	1569	2551	18731	0	27523	18344	11366	23572	22610	28778	0	0	0	13677	11326	10009	11912	12984	1197	11881	21734	2768	14603	3046	1561	0	12334	10335	19547	27956	26814	31647	0	0	39480	2330	3284	1732	14706	11060	8438	8306	6131	20928	15458	3418	0	31912	8038	1337	13825	35177	Peptide	0.5	1.0	0.25
0	C5 H12 O4 N2 S1	197.05905	197.0594	-0.38655114	197.05898	0	0	0	0	0	43645	0	2743	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2106	0	2489	0	6138	0	0	0	0	0	1293	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2058	0	0	0	0	0	2261	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	493	0	0	0	0	0	0	1622	0	0	0	0	Peptide	0.8	2.4	0.4
12	C10 H12 O2 S1	197.06308	197.06332	0.007479565	197.06308	3327	4328	4542	3338	2783	2667	0	1536	2300	2498	4420	0	1841	1772	1230	3395	0	3200	4206	4691	4277	8572	1543	0	2464	0	0	0	2181	0	0	2496	3867	1563	4220	1025	3198	0	2502	2633	5408	1463	0	0	0	3147	5732	0	1646	0	5872	4939	3740	0	1458	0	1140	3020	0	0	0	0	0	1293	1606	4624	4948	0	0	0	1412	0	0	1315	2551	2449	0	0	1817	0	974	4245	3465	2989	1664	1157	3718	3950	2290	0	20362	19213	2237	7720	17403	0	2128	0	2514	1453	1285	3060	1091	7056	0	1424	3480	0	1732	2018	Organosulfur	0.2	1.2	0.0
20	C10 H12 O2 S1	197.06308	197.06326	-0.095911056	197.06306	0	1511	2945	2251	3068	3769	2926	0	1903	3305	2174	1510	2441	2168	3831	3143	2560	3589	3208	6321	2788	7266	1935	2741	5036	0	1993	3702	1705	0	1628	1914	3112	0	7429	1990	3448	2954	1739	3291	4151	4354	0	0	0	1515	2122	0	4285	1570	2810	2717	2717	0	0	0	0	6445	3489	4925	4427	1630	0	1341	1806	4873	3790	2579	0	0	0	1371	0	0	2843	1756	0	1134	1775	7837	1371	2899	3502	0	1629	1158	3343	3862	4643	0	25735	22133	4334	8439	7129	0	1652	2316	4818	2295	0	3685	1559	6814	1829	5023	1698	0	4877	1980	Organosulfur	0.2	1.2	0.0
18	C10 H12 O2 S1	197.06308	197.06326	-0.07764641	197.06306	2559	5194	3710	1769	4623	5296	3061	1781	1538	6501	3853	1447	0	3925	1854	7021	4555	11801	6180	6602	6014	10914	2099	3145	4920	0	4243	6779	0	0	2529	2539	7328	0	5295	2362	7494	2032	5265	5535	3473	3148	413	0	0	4878	3801	0	2514	1566	4237	3171	4170	0	2968	1361	2252	7444	7138	5577	5224	2065	0	1439	1406	2430	3009	5565	0	1596	0	1906	0	1517	2054	0	0	1313	1635	11580	3038	3687	4387	2649	0	2580	5566	4905	5049	0	34216	26651	2248	8034	15715	0	4478	3137	3272	1937	2162	6147	1539	7481	4503	6456	2326	0	4086	3243	Organosulfur	0.2	1.2	0.0
12	C12 H8 O1 N2	197.07094	197.07115	-0.15422587	197.0709	3781	3437	3512	4581	0	7980	11041	11476	1331	0	2013	8826	0	2197	5354	13324	18367	1217	4157	0	0	0	6416	13815	10493	0	5952	0	11041	4616	17010	7879	24965	13578	0	13213	19743	7869	27636	0	0	9251	494	0	0	3344	0	0	8736	7210	2830	3419	4080	0	0	0	1625	31337	0	0	0	0	1062	1260	2930	2193	7131	37317	0	1189	0	12011	6339	4709	7643	6228	0	5274	7552	0	7092	980	0	979	0	829	10401	12539	7563	26500	4285	0	13683	0	0	0	3533	2886	0	0	0	9658	6851	0	0	25954	0	0	12689	0	Unclassified	0.083333336	0.6666667	0.16666667
10	C12 H8 O1 N2	197.07094	197.07117	0.06396419	197.07095	3017	2576	2223	4307	4276	1035	2579	2171	4064	0	0	1265	2878	1321	0	2491	3164	2676	3685	0	0	2189	1156	3198	0	0	2066	0	1455	1060	0	2929	6207	4079	0	0	3017	1864	13075	0	0	0	0	0	0	0	0	0	3030	1641	2277	2998	2131	0	0	739	927	5468	0	0	0	0	7436	0	874	8718	1189	27312	0	0	0	1224	2495	0	1623	2333	0	1523	2988	0	3678	0	0	0	2672	590	4776	4554	2347	13541	0	0	1804	0	0	0	2464	0	0	2020	2554	2562	1460	0	0	5343	0	0	2618	7654	Unclassified	0.083333336	0.6666667	0.16666667
8	C12 H8 O1 N2	197.07094	197.0712	-0.09056263	197.07092	26394	31810	0	27561	1425	10039	33569	41717	1483	1609	2207	20334	781	7182	15091	88648	160005	7514	12560	1091	1165	3287	18599	49105	11335	0	25323	0	43184	24679	32685	48970	57332	43089	1526	0	55914	20075	162878	0	922	15810	0	0	0	5959	1419	0	45139	32157	27108	24548	9044	384	2366	629	5325	75628	0	888	105917	0	0	1708	6083	1011	13729	155179	0	2758	0	30904	32656	21189	63031	42951	0	10027	25079	0	18818	958	0	0	1280	0	36552	33936	24904	97739	0	0	54706	0	1796	0	28410	22678	1980	0	0	30105	18776	0	0	76357	0	0	31476	0	Unclassified	0.083333336	0.6666667	0.16666667
4	C8 H13 O4 Na1	197.07843	197.07875	0.22286898	197.07848	0	825	904	889	728	500	5692	0	0	0	0	429	0	20508	0	1405	0	506	0	0	0	0	0	0	0	4943	30752	0	0	0	0	0	0	0	0	0	0	415	923	0	1063	543	8061	0	0	0	0	0	0	0	720	718	500	0	0	451	1609	0	554	1497	675	1000	4146	485	16545	1024	2580	0	0	0	0	0	0	0	54442	688	0	0	0	0	0	1036	46672	133703	0	598	366	528	0	0	0	0	0	0	0	0	1124	0	1704	636	513	0	0	0	0	0	481	0	0	664	Lipid	0.5	1.625	0.0
6	C8 H13 O4 Na1	197.07843	197.07874	0.27416468	197.07849	3742704	4108128	3184226	3972620	5159480	3609528	3432060	3880490	5182272	936464	961168	2976166	3206564	6224569	3023752	4021578	5132088	7181820	6626564	1125768	1186044	2129530	2982888	2553324	2200466	594026	3103470	715930	4738760	4320662	3730490	4777184	9332322	4281284	1279178	4745742	7567383	2873689	6518232	563072	782266	4538010	605798	469404	612222	1177728	986796	519188	5040352	3389322	4228418	3993740	4579638	527126	2580126	2115732	3431956	4408940	981790	1049492	4247270	505586	3266744	1818306	3128782	6144376	5086160	2809200	693470	733638	782992	3234962	4072640	4586624	4329592	3831826	458034	2473502	2226600	605664	2511548	1019890	1622484	1295620	2475810	1971666	3319106	3626230	4768570	3060720	812298	912518	2615128	652044	714590	565664	3791214	4069668	1772967	2939478	3635262	8660802	3325378	1308906	927264	2804662	4433866	482592	2341757	6719152	Lipid	0.5	1.625	0.0
2	C8 H13 O4 Na1	197.07843	197.0788	0.08520106	197.07845	1230	1700	1304	1312	326	0	4363	0	0	3857	1295	474	0	51174	386	1561	0	0	440	0	0	0	0	0	0	2707	15590	0	0	552	0	560	0	0	0	0	0	0	0	456	3142	0	10169	0	0	0	716	0	0	0	1659	1169	0	0	0	395	2180	0	1554	2824	1937	1965	5757	295	11069	479	9903	0	0	3558	5919	0	0	0	9590	0	0	0	0	0	303	0	17607	44241	274	0	0	491	596	0	0	0	0	0	1200	1557	1590	792	1319	664	335	0	0	873	199	0	277	0	0	1137	Lipid	0.5	1.625	0.0
2	C11 H8 N4	197.08217	197.08255	-0.45906904	197.08208	0	0	0	0	0	22521	0	0	496	0	0	0	0	0	0	0	0	0	510	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	660	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.0	0.72727275	0.36363637
0	C7 H13 O3 N2 Na1	197.08966	197.09	-0.123019546	197.08965	5262	5820	4431	3942	11690	0	0	9997	20386	1180	0	0	23354	0	4938	7413	1194	15510	16068	1825	1727	8328	8899	7474	4198	0	0	0	10793	3489	10834	6694	13549	11237	2967	6013	9088	7449	739	1148	0	4738	0	0	0	3778	0	0	7671	3379	4797	4947	11207	0	28028	3860	3246	10020	3960	0	3764	0	3298	6629	1842	22197	13566	0	0	0	0	6920	7741	5486	0	7735	0	2886	5500	0	3836	0	0	0	5018	3153	7530	6493	7945	1631	11242	10516	10363	0	0	0	4067	4105	7158	2055	5798	7976	2874	2807	0	13480	3090	0	4167	21760	Peptide	0.42857143	1.8571428	0.2857143
12	C9 H12 O3 N2	197.09207	197.09229	-0.098744296	197.09206	11156	17699	11505	12166	11244	7387	14913	9508	9758	2218	4911	9294	8890	6768	12150	20906	22310	12791	13674	2106	1820	11628	9695	13350	13041	1761	12751	9217	13864	11366	12208	15669	15209	13997	3821	13739	17989	8450	23037	2911	0	11996	3075	4906	4397	4609	0	4744	17350	7474	10896	13427	9259	3735	8802	4957	8201	19029	4368	0	0	0	7430	5721	7827	9198	9031	17780	0	0	0	13327	10807	7419	15376	14018	2913	9533	14692	0	13639	5066	6777	1602	4046	6541	20776	13390	11586	40437	16815	12945	39174	3041	4455	4486	8022	13756	6739	5066	6398	15810	12354	4824	0	13484	9200	4043	14146	10915	Peptide	0.33333334	1.3333334	0.22222222
16	C14 H12 O1	197.09608	197.0963	-0.1273363	197.09607	18917	22478	12934	19426	16824	10207	19163	21135	12718	12464	16562	15618	12025	11427	17690	24454	19588	13827	22356	16976	16120	12600	17710	24790	17840	10902	18046	9057	17147	18160	19511	22849	27502	13496	16670	19720	22802	14575	26107	13100	17115	11851	2078	1302	1405	11752	17092	1551	19621	22362	17297	18381	15981	1707	12674	12635	13967	24763	10880	15581	18535	9120	13154	10444	11192	21852	15260	22983	14940	20219	16430	16980	14311	21903	18308	25857	1451	14188	22096	13002	20388	14222	15732	10020	11621	14316	22396	17485	19419	36586	17438	15622	0	11736	15937	1966	18211	21329	14076	12775	16070	18146	14388	16313	5273	23120	12194	1180	19547	14655	Phytochemical	0.071428575	0.85714287	0.0
18	C14 H12 O1	197.09608	197.0963	-0.10464957	197.09607	24598	20319	19066	19529	18635	14679	18839	26738	12406	16120	14662	15926	15752	16105	17199	30099	29876	17226	27335	27697	22469	24409	20991	24466	18309	10239	16218	18495	22306	21425	20627	24000	30918	18971	18458	18123	27972	18162	27681	17689	16292	17965	1665	1101	1746	12658	15890	2154	24934	18515	21750	21922	17017	1776	15312	9363	12365	32808	15976	14820	25009	12980	14713	17798	12956	21462	24000	28199	11749	22832	17822	19038	14545	21783	27087	24389	1901	15696	24990	14721	20470	14078	18386	11848	16941	13910	23777	17559	20504	36248	23014	22230	41182	11888	19080	1941	19918	21003	15696	14229	15950	30065	17900	17334	7100	16450	10835	1878	20440	12656	Phytochemical	0.071428575	0.85714287	0.0
20	C14 H12 O1	197.09608	197.09628	-0.11056978	197.09607	24073	28230	21851	13956	16868	20083	18739	23019	14976	21570	13281	17916	17533	12364	21994	23750	26867	20575	18458	22669	18233	16680	22793	24892	21579	12263	19646	16865	23272	22216	17693	21787	37339	19301	19738	16302	26502	18483	28006	15978	16542	24807	3209	1467	2037	16348	18617	2565	22609	19991	22700	25074	19001	2359	15004	9630	14931	24332	17654	11490	22951	9771	6922	11987	10628	18971	21769	24599	10610	12893	15071	19193	20133	20276	21805	22154	3222	13693	18948	16112	17999	10896	14273	9321	16109	12327	28096	20189	23035	33044	23785	21438	42338	12750	11125	2628	23190	21402	14187	17886	12092	34816	20063	19923	8818	19772	8655	1843	19687	18382	Phytochemical	0.071428575	0.85714287	0.0
14	C14 H12 O1	197.09608	197.09633	-0.10532305	197.09607	13670	12670	10402	12983	9871	7984	13803	19312	9129	9863	6991	10453	7392	5475	11863	16981	15738	9915	12118	16204	14689	14009	13147	10980	13483	11745	13188	0	17089	15242	16233	15811	19428	14052	13179	12923	12944	11660	17763	13001	10881	11489	0	1342	1401	10732	10934	1350	20077	17013	12819	13700	10405	1133	10295	8161	12241	16970	12652	13434	21210	7650	11598	9124	6668	9286	12345	18806	0	13318	17653	10260	12477	17029	13118	16186	999	12304	15815	0	14839	10463	15722	9595	13839	7455	17215	13506	12668	22832	14408	9261	24249	8830	11241	1944	12353	13877	9442	14422	12896	15934	10022	19403	0	15889	8888	1507	15365	8269	Phytochemical	0.071428575	0.85714287	0.0
8	C13 H12 N2	197.10733	197.10765	-0.08171137	197.10732	0	0	0	0	0	5074	0	0	0	0	2291	0	0	0	0	0	0	927	23469	874	1096	0	0	1270	0	0	739	3536	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52783	0	1360	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5943	0	838	1334	2556	0	0	0	0	0	0	0	949	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.0	0.9230769	0.15384616
8	C9 H17 O3 Na1	197.11482	197.1149	-0.022315536	197.1148	0	0	0	0	0	0	2160	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2696	5018	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	456	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1704	0	0	0	0	0	0	0	0	0	4042	0	0	0	0	0	0	0	4474	43990	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	1.8888888	0.0
12	C10 H16 O2 N2	197.12845	197.12865	-0.20391847	197.12842	6322	10846	5597	6224	5079	3839	5678	3975	3349	0	2119	3280	3988	2432	4169	11212	10939	5513	3461	0	0	8225	3195	9920	7048	0	7758	10801	3769	5054	4387	6917	4702	7449	1767	5629	6858	2639	12181	1455	0	3715	881	729	461	5590	3849	566	9643	2425	7722	6014	4704	670	1965	2401	3543	9777	0	0	0	0	3865	0	2310	6691	0	9554	0	2075	1408	7304	3568	3285	8466	7634	434	2998	4590	24166	4613	4345	2630	1247	2286	2364	5660	5473	4842	18206	102575	71643	14148	7805	4975	1307	5986	7514	3854	4104	3870	5697	5462	2330	0	10002	3546	386	7111	6230	Peptide	0.2	1.6	0.2
14	C12 H20 O2	197.15361	197.15381	-0.17637794	197.15356	9677	7770	5665	7798	5925	5462	51990	4589	1795	3338	3465	3836	4184	58760	4205	5834	9632	3301	4097	3975	1967	9211	2904	5509	5202	20704	47432	0	4475	7774	4691	0	3475	6117	0	4749	3716	4914	13944	0	3484	6829	7000	4185	3734	2474	0	5309	9971	6246	8745	7607	3858	5378	0	8179	9107	7251	0	6701	0	0	13356	0	23713	4666	14747	9155	0	3482	2906	4043	4896	9320	10009	7148	4678	2574	3524	0	2883	5947	50755	171826	3018	3583	12726	3375	7013	10495	7752	4803	3539	0	2542	4968	5654	6708	9974	7243	6619	5500	4563	3814	0	4685	2876	4639	5719	3604	Lipid	0.16666667	1.6666666	0.0
8	C8 H7 O3 N1 S1	198.02194	198.02217	-0.11244427	198.02191	9641	9575	7071	10502	2650	1816	9547	21234	1413	936	1667	12167	1086	2095	5835	17097	28704	6888	8558	0	0	1197	3217	9261	3493	0	13975	0	35209	45871	28491	50833	39043	51492	0	42000	38975	5482	33758	0	0	5672	0	0	0	0	0	0	47399	25011	9500	9605	3104	0	1713	0	2018	14889	0	718	18930	0	1184	2597	3762	1512	4105	29406	0	1317	0	33258	52805	65652	29848	50284	0	13530	1521	0	2426	0	0	0	1147	0	3587	6865	12281	6271	0	0	3441	0	0	0	9020	9858	932	1230	0	31415	13005	0	0	9824	0	0	4333	1499	Organosulfur	0.375	0.875	0.125
6	C8 H7 O3 N1 S1	198.02194	198.0222	-0.13553932	198.02191	5285	8608	5422	6732	9832	3379	6953	16399	5148	0	0	8079	3325	2431	7917	21113	13237	15079	15335	920	0	9916	7918	18683	6678	0	6810	0	13202	11649	11825	12960	13175	12028	0	14239	12169	7414	19509	0	0	5191	0	0	248	1767	0	0	13190	14786	8573	5507	8665	0	7485	1029	4450	16228	0	0	17631	0	7821	10355	3472	5582	4623	14473	0	0	0	10569	11834	12373	8362	13485	0	7420	5789	0	4089	0	568	0	5329	6608	7114	10854	9258	29575	0	1373	33030	0	0	0	4701	6444	2990	2069	3345	13320	9176	0	0	17814	5847	0	7425	16450	Organosulfur	0.375	0.875	0.125
12	C8 H7 O3 N1 S1	198.02194	198.02214	-0.11244195	198.02191	5473	7797	9341	8487	7190	4005	5242	5437	2957	0	0	4111	2395	3851	4709	35987	18162	10932	11349	1842	0	13330	4919	13412	9327	0	11025	0	7116	6780	5869	11464	12646	12001	0	9349	10961	4587	19021	0	0	8436	0	0	0	2190	0	0	11461	5291	6984	11401	8853	251	1805	0	2546	34664	0	0	42260	0	2888	1935	2765	3944	6482	16962	0	1723	0	6070	7035	4554	19385	8267	0	3510	6557	0	5024	1370	896	0	3617	3983	13700	14566	11514	48926	2987	2728	49895	0	0	0	5184	8693	2034	1336	1365	15694	3730	0	0	23807	2909	0	7840	7110	Organosulfur	0.375	0.875	0.125
10	C8 H7 O3 N1 S1	198.02194	198.02217	-0.056180585	198.02193	13412	9125	9812	8619	14619	13993	12862	19707	3868	1381	2056	10893	10308	10047	11607	45865	22497	20445	20415	1390	0	15556	12937	31650	13686	0	19888	0	18326	16871	17766	18402	26088	20434	1642	19215	24048	8894	23983	0	0	19024	0	0	404	5221	0	0	18400	13114	10774	10745	13446	0	4705	4576	6572	38289	0	1372	35673	0	8154	4623	6903	10564	12517	32481	0	0	0	18951	17387	12608	23646	20414	0	11426	12926	0	8436	637	911	0	8876	13442	23436	23568	16250	41567	2845	0	56920	0	0	0	11644	13369	4818	10492	12450	23784	11152	0	0	37951	8565	0	15249	14585	Organosulfur	0.375	0.875	0.125
10	C8 H7 O5 N1	198.0397	198.03992	-0.13003904	198.03967	7461	7319	7718	5257	14803	17004	3323	8754	14145	1696	3224	8808	12346	11094	9491	9171	6858	20246	18997	0	0	7614	16072	8735	8258	0	4784	0	8630	6497	9934	8195	10592	6943	1675	6080	7037	8701	8723	0	0	12354	1269	1154	2513	3054	0	1854	7073	5029	7445	8334	13146	3064	9572	5236	5485	12444	0	0	11091	0	25911	10996	7780	20719	12167	11414	0	1913	0	7302	6660	4528	5144	4449	1293	6692	13874	6416	11212	2184	1168	0	8754	8923	24006	15667	16062	8454	3649	2205	10489	1674	2198	2041	8026	6789	7506	5641	5212	7408	7584	0	0	17624	5289	1946	8878	36972	Phytochemical	0.625	0.875	0.125
14	C8 H7 O5 N1	198.0397	198.0399	-0.1474919	198.03967	10196	7204	5265	6579	11001	14801	2637	8092	9795	6938	8864	13912	4879	10937	6488	10480	10049	20829	25746	0	0	9016	8910	5023	1541	0	2599	0	5956	4318	10951	7796	15083	8359	0	6302	13593	5537	14586	1236	0	23968	0	1490	2182	1578	0	1760	5862	5784	5778	8230	12430	2009	5153	2095	11083	11476	0	0	0	0	16022	11026	7549	20074	16146	22231	0	0	0	8443	8352	4204	10556	7019	1566	6924	5966	0	6517	1641	0	951	4707	3692	7402	27595	34786	23327	6947	6802	20263	2625	3217	2249	10985	8346	4512	3417	2946	11518	15344	0	0	22416	2673	1714	4742	20644	Phytochemical	0.625	0.875	0.125
8	C8 H7 O5 N1	198.0397	198.03995	-0.121767804	198.03967	15969	15625	8611	13381	17597	19164	5850	15187	23403	4955	3880	13634	15192	11164	12544	19549	14326	38390	36500	1534	1886	16550	15421	18685	7262	0	5781	2113	11664	8435	14177	10488	25909	14339	4365	11577	25579	14049	17035	1558	1068	19211	925	1318	2019	3978	0	1147	14283	10361	13977	16518	20486	1714	12278	5951	12778	22823	872	730	27907	0	41201	20396	12098	28224	22698	19022	0	1374	0	17742	11928	7727	9506	11208	1079	8753	13727	0	13047	2418	597	0	9124	11898	12755	30303	32086	33557	0	0	36884	2096	2050	1323	12723	10940	10388	7155	7689	19796	10608	0	0	28676	4706	1138	8068	59462	Phytochemical	0.625	0.875	0.125
6	C8 H7 O5 N1	198.0397	198.03996	-0.13588202	198.03967	16646	16682	10626	16005	12562	19062	5140	25383	12796	2657	2269	11855	18176	9159	11892	22313	13533	43804	35182	1871	3954	21800	16197	27086	7107	443	5614	0	18666	13736	25804	20263	31711	21923	4399	15099	39477	12053	20208	1518	1970	18445	931	1121	1559	4908	1423	1073	21343	15648	14499	15607	17577	1877	10486	6718	9441	30190	1281	1554	31451	0	33196	9754	7543	25975	17848	23601	0	2249	0	20357	22987	13200	10447	20428	1034	9437	10758	0	10753	2713	1754	0	7208	7172	10341	30193	26848	39603	0	2605	47356	1754	2765	1403	15400	10845	6259	7374	7310	24460	15942	1724	0	41337	5121	899	9430	47786	Phytochemical	0.625	0.875	0.125
2	C10 H15 O1 N1 S1	198.09471	198.0951	0.052328818	198.09473	0	0	0	0	0	99249	0	0	0	1048	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1574	0	0	0	0	759	920	0	0	0	0	0	621	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	737	0	0	844	0	0	0	2985	0	0	709	1195	0	0	0	0	0	0	0	0	0	294	0	0	0	0	0	Organosulfur	0.1	1.5	0.1
6	C7 H11 O2 N5	198.09856	198.0988	-0.066198684	198.09854	6501	6390	6282	6689	1225	1354	9606	16559	938	0	0	7636	2547	0	9526	15237	32604	5326	3779	0	0	3292	8588	14741	4348	0	7393	0	15909	16762	15566	11229	17532	15624	0	15264	17920	9987	33517	0	0	3335	0	0	0	2440	0	0	15951	16236	7044	7531	2468	0	791	0	1052	12820	0	0	15665	0	0	0	1680	2763	3348	25333	0	0	0	16727	19200	23414	8634	17318	0	6182	5226	0	8049	0	0	0	1942	3634	3795	5168	4473	13370	0	0	14584	0	0	0	5829	0	528	539	860	22017	8042	0	0	9244	689	0	9498	1742	Unclassified	0.2857143	1.5714285	0.71428573
2	C9 H15 N3 S1	198.10594	198.10626	-0.31909928	198.10588	0	0	0	0	0	0	0	10136	0	0	0	340	0	0	714	0	0	0	0	0	0	0	0	0	342	0	0	0	0	912	1724	0	0	0	0	0	0	538	0	0	0	0	0	0	0	0	0	0	965	20456	0	0	0	0	0	0	0	961	0	0	1646	0	0	0	0	0	3541	0	0	0	0	3563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	526	0	0	905	0	Organosulfur	0.0	1.6666666	0.33333334
14	C10 H15 O3 N1	198.11247	198.11269	-0.12933879	198.11244	407015	314916	374578	393030	134945	261545	227318	645896	72477	64473	45660	354887	112474	121944	485270	483952	84439	248370	315936	88680	40702	229938	322132	421463	345682	2369	207601	41983	667916	697149	882747	928153	476586	1028587	53330	840514	927177	240221	107158	36136	14310	371166	5849	7191	6565	120160	16190	7192	754327	597178	342643	364632	197012	8158	108032	28601	126993	694421	37275	29839	664280	7048	49196	93963	66328	169255	343298	117968	0	39437	11820	720688	901641	636657	187082	608565	4837	370891	52669	34952	65555	20800	39066	13703	28089	96637	124923	398766	568373	132941	222353	249256	661604	13670	44109	9371	384921	296636	39743	28010	27181	863824	390458	127236	0	865177	33841	7167	183024	116707	Lipid	0.3	1.5	0.1
4	C14 H15 N1	198.12773	198.12799	-0.18815759	198.12769	1003	1571	1615	1526	0	746	4220	4458	0	2527	2227	933	0	1540	1666	6488	2648	0	311	2276	2692	0	1318	6009	2358	2173	4250	3848	3110	2289	2819	2225	1401	2416	1375	4760	1096	982	2004	0	1188	943	0	264	316	0	1537	0	2757	3513	1696	1041	0	298	0	0	409	4004	0	687	4425	0	0	329	1202	0	1700	2396	0	1499	0	2589	1615	3945	1456	1728	227	1098	1069	0	978	948	8582	21187	0	512	897	911	1369	3720	1983	0	7607	0	1519	498	977	2545	0	0	0	1537	386	0	0	4239	0	317	967	341	Phytochemical	0.0	1.0714285	0.071428575
28	C14 H15 N1	198.12773	198.12772	0.17862839	198.12776	0	0	0	0	9232	0	0	0	0	0	0	0	0	1542	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1048	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25151	2021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0	1.0714285	0.071428575
6	C8 H15 O1 N5	198.13493	198.1352	-0.11229399	198.13492	351490	390187	272870	376019	803667	8088	46222	1434	149891	27490	16219	6502	495161	247055	0	1859	4308	1309176	3205312	0	8906	60883	12103	3388	0	0	88270	0	1429	11269	17791	151481	578570	18866	124767	3240	183240	10817	104690	38194	16672	28575	0	0	0	62562	41976	0	55345	701	283084	382011	229391	0	1348573	207439	107453	204503	0	0	22700	1268	1976083	1250289	34420	518928	51217	407577	0	2507	16265	25911	75670	2519	174494	154046	0	6127	42525	0	131843	7678	592	1806	883621	2253	75461	302590	279544	246340	14626	1141	16765	14565	13458	0	257937	120062	245261	200438	365402	320635	48373	0	0	14978	344818	0	18654	323993	Peptide	0.125	1.875	0.625
12	C11 H19 O2 N1	198.14885	198.14906	-0.18030643	198.14882	14265	21338	18761	18724	10988	4687	22670	11083	2410	19173	9647	3226	4172	12200	2664	20776	11095	5528	3659	20064	14461	19708	2595	7454	3108	12761	24178	0	11867	13159	9328	16967	11082	16577	12477	14023	16538	2601	12785	13827	16106	6624	3830	792	661	25440	45704	1803	19760	10623	15850	19445	3610	2470	0	2945	6363	17568	0	12681	0	3922	3672	1636	15394	4961	4899	10826	0	12749	12313	11506	14494	18515	26257	18095	0	3435	2379	0	1961	16520	16590	112350	4664	29103	8345	9866	4346	11174	43917	45012	6637	7552	40725	1164	18768	17372	2533	2164	11439	18717	5012	20601	0	7872	19919	1234	4785	4030	Lipid	0.18181819	1.7272727	0.09090909
16	C11 H19 O2 N1	198.14885	198.14906	-0.1345797	198.14883	19837	44670	14885	21829	41421	20388	12300	6364	1476	78923	7091	7761	4835	22815	6506	17298	28454	3146	3957	5837	7203	16252	4926	5059	7164	7976	11851	7839	8110	16987	13271	26909	37327	14532	21573	18875	12588	6213	24437	54364	17632	17949	11884	4045	2654	11265	15802	1507	33655	10975	22825	29502	6934	8752	0	2124	11646	29026	3615	20035	12021	4077	13654	1887	12386	100012	17323	128826	6393	15257	10649	23769	17419	16145	26936	43553	7854	7581	6058	19771	3524	8941	5648	10293	3127	13117	10310	16855	5193	148036	71446	12819	0	11881	29066	7103	21435	17095	4421	2341	10968	15538	7039	7085	5788	14475	13940	1492	10012	80258	Lipid	0.18181819	1.7272727	0.09090909
4	C10 H19 O1 N3	198.1601	198.16039	-0.20941229	198.16005	3832	4873	3995	4822	486	349	4897	9732	799	1572	1451	6037	857	771	6273	10193	9838	726	1931	3103	3043	4649	5465	11197	9927	692	4444	0	4951	3496	5792	3892	6748	1403	2972	4130	5212	6200	11303	1342	1445	975	0	0	0	2992	2873	0	3596	8931	3751	3758	1259	0	427	0	1388	12548	0	0	7441	0	243	202	0	442	1550	12708	830	1742	2205	1177	1843	4102	11744	4800	0	5936	10642	0	5499	434	296	2316	0	1577	17730	913	1084	20929	1845	660	14169	1526	2544	0	2878	4075	0	0	0	5938	4844	2779	0	9562	408	0	7887	1131	Unclassified	0.1	1.9	0.3
6	C10 H19 O1 N3	198.1601	198.16031	-0.21365292	198.16005	2089	2796	2196	1277	0	0	2063	3567	0	1060	0	2398	0	0	2254	2817	6633	0	0	2374	0	3779	1293	8722	3000	0	62100	0	45159	4205	4255	2051	2692	6445	809	10930	4888	2097	3647	0	0	866	0	0	0	0	0	0	2867	2636	1974	1805	0	0	0	0	430	2800	0	0	20096	0	0	0	0	0	769	4043	0	0	0	2415	2491	46322	1234	3357	0	3354	13018	0	2583	0	0	0	0	0	17379	589	0	28373	0	0	9796	1114	1985	0	1278	1405	0	0	0	4376	1116	0	0	3610	0	0	5192	0	Unclassified	0.1	1.9	0.3
8	C10 H19 O1 N3	198.1601	198.1603	-0.05963608	198.16008	2627	2379	3550	2121	0	0	2163	0	0	1124	0	0	0	0	0	0	0	0	0	0	0	0	1403	4916	0	0	2117	0	2767	4935	1026	7058	59900	3633	0	0	66725	0	3138	0	0	0	0	0	0	1836	0	0	4639	0	2619	1861	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1507	0	0	0	1468	12890	1877	17462	19105	0	0	0	0	3345	0	0	0	0	0	0	830	0	0	0	0	0	0	0	0	2208	1621	0	0	0	63864	1748	0	0	1787	0	0	0	0	Unclassified	0.1	1.9	0.3
6	C12 H23 O1 N1	198.18524	198.1855	-0.15385483	198.18521	8626	8495	7702	7177	3828	5765	4761	17981	1667	13175	6693	3997	2942	3701	5546	11785	3735	3530	8193	13180	10153	6829	3177	3500	4113	5704	6021	4676	9969	22052	25014	9813	9288	8692	20013	9029	7878	5433	5535	6689	2053	5471	0	374	313	4896	6288	299	9217	12707	7881	7748	3317	0	1831	754	1751	9404	0	0	10150	2751	3064	0	1796	5520	4920	7830	5394	8117	12975	13379	20393	26754	8832	26466	358	5299	5298	6817	4364	340	463	6327	1416	1059	7981	2344	5639	14816	27210	1056	9219	9769	12172	0	8762	6970	1554	732	1359	7791	4989	5366	0	5400	1771	0	4270	2351	Lipid	0.083333336	1.9166666	0.083333336
16	C13 H27 N1	198.22163	198.22182	-0.11364757	198.2216	2816	3062	3492	4466	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1692	2248	7925	23932	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3278	3454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	60951	1963	0	164336	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2164	2024	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	2.0769231	0.07692308
14	C13 H27 N1	198.22163	198.22186	-0.24909095	198.22157	0	0	0	0	0	0	0	17369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	159794	35104	31312	7377	0	5448	0	30960	0	0	0	0	0	0	0	0	0	0	0	0	0	3449	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2423	83035	152794	0	48170	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2321	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	2.0769231	0.07692308
18	C12 H6 O3	199.03897	199.03915	-0.15455659	199.03894	2554	3346	0	2993	3758	4782	0	0	2451	0	2256	2331	3336	1639	3185	3197	6527	6368	3831	0	0	0	3199	1222	1844	0	0	5153	0	3795	1759	3363	3728	6020	0	3301	1668	2456	7651	0	0	6410	1027	552	1135	0	0	1001	1580	2013	2489	2962	7100	1664	3157	0	7664	3510	0	0	1733	0	2652	1474	6373	33451	29889	12834	0	0	0	1852	1425	1887	2897	0	873	0	0	5498	1100	0	0	0	1766	4866	1850	7892	9575	3881	0	0	3566	0	0	1780	2711	0	2005	1719	0	4529	2466	0	0	2637	0	904	1926	0	Phytochemical	0.25	0.5	0.0
14	C9 H10 O3 S1	199.04234	199.04256	-0.075466886	199.04233	3199	4260	2110	1815	5891	6231	3848	1634	2809	0	2326	1707	6553	3200	2545	3533	1857	7334	4149	2082	1933	0	1273	0	5110	0	2397	7696	0	1366	1100	0	1946	1600	2879	0	1657	1591	2425	2284	0	3304	0	0	446	0	0	456	1624	0	0	2069	4052	343	3180	4064	2874	4188	0	0	0	0	2723	2092	2439	4848	3477	3904	0	0	0	0	0	0	1282	1491	450	1606	2336	22780	1439	1152	1223	1580	3999	3741	6562	3196	3835	0	27034	17840	0	5239	2866	559	2376	4025	3048	3039	3993	0	1098	3632	0	2531	3969	0	3954	3045	Organosulfur	0.33333334	1.1111112	0.0
6	C8 H10 O4 N2	199.07133	199.07161	-0.12124943	199.0713	24406	23450	20024	25181	26002	19123	28474	23510	29750	4546	10815	22893	24316	13807	29450	23483	83146	40414	33084	4171	4655	21795	37291	24317	18189	978	27406	8837	20217	18046	23989	23853	31694	25402	6461	18897	28629	32617	94123	0	1965	21864	1653	1480	1727	5616	3532	1870	20094	18303	25035	27132	26882	2210	22404	17887	22734	29599	3899	5232	24866	2001	31205	18472	20474	35382	23566	79475	2345	4087	3662	19338	16823	16266	26178	17883	1389	13397	28658	12583	23423	4791	4066	1766	23461	29518	32753	38640	26708	118331	11392	10869	77717	5672	1539	1856	23203	20594	15935	15509	17828	28280	30068	5695	0	34456	21372	1631	33685	45562	Peptide	0.5	1.25	0.25
12	C10 H14 O2 S1	199.07872	199.0789	-0.13765825	199.0787	0	0	0	0	2883	1473	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1541	0	0	0	1347	0	0	0	2572	0	961	0	0	0	0	0	0	0	1845	0	0	918	0	0	0	0	3293	0	0	0	0	0	1458	0	0	0	0	0	0	0	0	0	0	0	0	0	1117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1794	1165	0	0	0	0	1868	1067	0	39600	10081	0	0	6003	0	0	0	0	0	0	0	0	0	0	2115	941	0	1272	0	Organosulfur	0.2	1.4	0.0
18	C10 H14 O2 S1	199.07872	199.07892	-0.13183722	199.0787	2089	1868	2054	0	2820	3112	1486	0	0	3791	1702	0	0	1109	0	0	2423	0	0	2247	0	4328	0	0	1561	0	0	4415	0	0	0	0	0	0	2528	0	2974	0	0	1273	0	1661	0	0	0	2320	4225	0	1534	0	1801	0	0	0	0	1158	0	2465	3365	3295	1702	1393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2639	0	3225	4235	0	1248	0	1497	1470	1395	0	20450	13756	0	4270	5895	0	1868	2849	0	0	0	2138	0	4125	3493	1750	1188	0	0	0	Organosulfur	0.2	1.4	0.0
8	C12 H10 O1 N2	199.0866	199.08684	-0.10929892	199.08656	15783	23182	25357	24449	2420	8356	25743	99956	1055	2180	4160	48876	1199	5040	30788	132657	1942	1649	1793	2558	1308	4121	29487	54130	40743	0	27384	0	102610	91628	50881	127556	47537	111961	0	120695	53854	25518	940	0	0	24504	0	0	0	8445	0	0	119500	85471	23595	23554	4304	270	1104	732	3285	73946	1242	0	111895	0	1034	3852	4588	1386	11283	0	0	5203	0	107493	148696	106421	86664	121974	0	38076	9736	0	7400	827	523	0	1017	3816	18563	4473	13236	1835	0	0	7995	1260	1138	0	21446	25941	1585	0	0	55756	39213	0	0	49923	0	0	31198	1429	Unclassified	0.083333336	0.8333333	0.16666667
14	C12 H10 O1 N2	199.0866	199.08678	-0.13471965	199.08656	8197	8718	8855	10454	2316	2913	10320	22160	0	0	1428	13367	0	1473	6630	27463	31129	2257	2091	1612	1646	8313	9690	33828	14280	0	11709	0	17322	23222	14825	19075	19233	21245	0	21101	19579	8785	35899	0	0	7597	0	0	0	6496	0	0	27026	24406	13076	10089	3764	0	0	0	2842	32505	0	0	20586	0	0	2567	1422	1306	6104	37816	0	0	0	22436	23902	16590	22845	22291	0	6216	12856	0	11118	1216	0	0	0	2845	14492	10911	8790	68963	6322	0	50475	0	0	0	10508	10473	986	0	0	0	9770	0	0	42051	0	0	23280	0	Unclassified	0.083333336	0.8333333	0.16666667
4	C8 H15 O4 Na1	199.09409	199.09445	0.047773883	199.09409	451	650	0	0	279	461	0	0	0	0	0	0	449	0	381	1925	0	0	0	0	0	0	0	574	298	417	1763	0	0	338	548	0	0	0	0	0	973	0	0	0	400	0	0	0	0	0	0	450	0	599	0	0	346	261	0	0	451	0	720	0	0	0	0	0	0	524	870	0	0	0	0	566	0	447	29583	497	0	0	325	0	407	0	664	2395	0	368	361	0	627	0	0	0	0	0	1127	568	568	0	638	0	0	516	0	0	0	697	0	442	0	0	Lipid	0.5	1.875	0.0
14	C8 H15 O4 Na1	199.09409	199.09424	0.07037271	199.0941	310572	314653	286469	311062	453611	451452	420807	387014	378570	104493	126100	213012	586395	848046	355774	365337	333280	596723	440700	144229	107806	136790	308982	183134	378455	71779	409908	206169	537817	448895	524401	527180	515264	462269	134003	483702	490911	302923	354603	79681	59093	367143	146260	68903	77438	114804	73462	82314	455114	279815	310384	264659	392783	78983	439177	281591	280115	514480	105204	101110	385579	46061	457478	312607	445066	568320	567962	308372	44883	84272	58811	388787	475625	544246	310081	460426	53349	263905	230942	162917	221571	125727	314579	223894	341482	283967	386958	318121	433610	220825	251171	183455	242336	76428	79283	105719	312194	325218	270088	369685	472504	461589	260783	162366	76310	292554	277714	80501	286720	399937	Lipid	0.5	1.875	0.0
24	C11 H18 O3	199.13287	199.13306	-0.1333652	199.13284	30472	34064	29109	32834	24365	34319	98213	28174	17407	11540	13198	18380	25166	52261	27695	26523	25337	23856	32345	17362	10765	11716	21639	22919	20086	13541	74281	104651	30615	29429	22715	27294	44145	23112	16903	27961	36488	21407	25539	12958	11317	35656	32361	8896	15481	19829	10449	9143	35119	26151	33720	30082	18728	27608	25475	29638	56521	33416	16447	15836	30149	10038	30488	17592	93757	36323	32212	22513	12470	15269	7930	19389	23579	28009	19161	28029	13164	22058	21606	207934	17698	275874	51795	39976	42431	64494	24489	25574	24725	23637	79167	73591	26843	19593	13876	10352	29345	35497	25340	30732	116619	42668	15887	24168	18046	22645	72404	9411	21797	25217	Lipid	0.27272728	1.6363636	0.0
12	C10 H18 O2 N2	199.1441	199.14424	-0.21537566	199.14406	7442	8470	6843	6595	0	0	4043	5348	1138	0	0	3626	1891	2798	6767	15154	4614	0	0	0	1247	30420	12514	114899	34429	1330	5053	0	2486	1800	1702	3851	3961	3555	1580	2966	2866	5695	5219	0	0	1424	0	0	0	13614	0	0	3062	3043	7294	8266	1315	336	0	0	947	14321	0	0	0	0	0	0	1034	0	1592	4979	0	2156	0	3793	1261	1290	2501	2129	0	3030	21419	0	37871	3682	1705	0	0	990	17247	2951	0	39820	9939	8014	115536	0	1416	402	5580	6411	0	1026	0	7607	3505	0	0	158694	0	0	48618	0	Peptide	0.2	1.8	0.2
10	C10 H18 O2 N2	199.1441	199.1443	-0.20105658	199.14406	3687	3834	4885	3518	4719	3149	1969	3526	1744	0	0	2810	1459	2359	2288	5383	4829	2002	4125	0	0	6321	1942	5228	9163	1745	3501	0	2321	2485	3485	5055	3519	3407	1219	3244	3912	1733	6566	0	2301	2833	685	0	0	3680	2229	0	5018	2524	4274	4196	3477	698	1634	1028	1207	6083	0	1981	0	0	2005	1080	1513	4875	6198	5353	0	2369	0	2220	4022	3318	3071	2739	0	1684	5160	13330	2784	3145	2348	1157	2076	1649	6458	2672	1998	15084	35156	18643	12029	2862	3485	0	3374	4171	0	0	1233	1284	1955	0	0	6110	2887	0	9976	3747	Peptide	0.2	1.8	0.2
14	C15 H18	199.14813	199.14833	-0.18843657	199.14809	14112	14576	13496	12818	6879	5918	11456	11848	6234	3386	7479	11240	2742	5700	12632	19532	20238	3048	0	9393	3878	16038	7947	12747	11389	11233	13146	0	8142	11762	11306	11262	11845	8854	6142	8216	9724	10598	22809	5423	11630	7612	0	676	487	8880	8825	1010	10626	9425	13189	13775	9215	572	6673	8036	7454	16105	0	7775	0	1998	3673	6631	6040	5704	7811	23806	0	5741	8793	9507	8678	14284	15270	16260	540	8817	13159	17003	13188	8268	12900	8682	12548	7225	18498	6877	5987	106667	20042	14849	33687	10192	8987	959	15336	12879	9809	16653	21404	7779	9575	9309	0	18344	10408	883	15566	3266	Phytochemical	0.0	1.2	0.0
10	C15 H18	199.14813	199.1483	-0.22216702	199.14809	3128	1916	1821	2837	2281	2507	2470	3313	1755	0	0	1732	1429	1295	2888	4148	3074	0	1098	2366	1545	2961	1391	4106	2741	1205	1364	2706	2501	2115	1871	2974	1780	1466	2593	1693	1923	2436	2875	0	2503	1212	686	702	850	0	3283	983	2639	1887	2384	2426	1753	765	1397	3443	1572	4302	0	1870	0	0	0	1298	844	0	0	3240	0	0	1509	1588	1819	1288	3479	2530	790	1208	4769	0	3956	2392	3644	1019	3120	1888	3937	987	1251	20636	3608	3783	4090	1067	2747	709	1533	3165	1391	4167	4364	1571	2616	0	0	3701	3287	926	1466	1345	Phytochemical	0.0	1.2	0.0
10	C11 H22 O1 N2	199.1805	199.18071	-0.15656124	199.18047	8715	5980	7178	7192	5178	4703	5306	9006	3135	5949	10148	7070	2612	5348	6378	3157	4174	2680	4761	2189	3590	3527	4847	5029	5045	5314	8211	76047	5232	4303	6587	10511	24023	15836	2796	7376	9529	4842	3494	5574	3671	5571	10539	12207	13617	4314	3030	12240	6056	3653	6510	7909	4655	14577	2755	4068	4047	5005	6005	4218	0	4455	4023	3569	4014	4547	4575	5542	0	3854	3860	4956	6771	6043	5255	5338	17249	5913	4274	84314	5283	5539	3548	1969	3834	6795	4416	4537	3762	4207	212103	96629	2495	9951	3077	11780	7424	8708	5209	4156	5129	16137	7171	2933	0	4620	4053	13809	6274	1744	Unclassified	0.09090909	2.0	0.18181819
12	C11 H22 O1 N2	199.1805	199.18071	-0.18982579	199.18045	5226	3188	4217	4218	4331	4526	3971	1849	3535	4872	3821	4338	0	5797	4233	3519	3901	2538	1924	2476	1439	0	3469	0	3884	4696	3846	0	4637	5527	1923	3869	1982	3398	1496	3370	1338	4487	2390	2374	0	4217	8862	12986	14219	3926	0	13176	2653	2318	3860	5469	3241	12140	2535	3426	4760	2899	0	0	0	3047	2589	2381	4794	3040	2570	4630	0	2328	1934	2365	3486	4997	4710	5147	11243	3352	3331	28839	3380	4901	5456	2274	3096	5007	3970	4319	5144	0	85811	44784	3058	8972	2723	12157	4831	3576	3470	2472	3070	2661	5197	3242	0	3691	4300	12782	4907	1778	Unclassified	0.09090909	2.0	0.18181819
10	C8 H9 O3 N1 S1	200.0376	200.03781	-0.1514632	200.03757	4093	2712	3035	3024	3597	3835	4614	4255	1289	0	2712	4089	2043	3080	3148	6777	15831	4021	5358	0	0	0	2646	4262	4213	0	4755	0	3710	7091	4842	5210	4054	7393	0	6054	4578	3877	21774	0	0	3626	0	0	0	0	0	0	5205	6104	5294	5691	2946	0	1244	683	1454	8350	0	0	8908	0	1553	1341	1632	2576	3111	21296	0	0	0	4299	4391	2529	10344	7697	0	2515	2189	0	2156	960	1026	0	1752	2223	5423	3440	5738	3850	13174	6356	3464	1466	2032	0	5821	4319	2879	1681	1959	6837	3939	0	0	6828	1182	0	4127	4229	Organosulfur	0.375	1.125	0.125
2	C7 H9 O4 N3	200.06659	200.06688	-0.17335412	200.06654	4939	5688	4481	6424	931	0	0	20010	1355	0	1765	21618	2156	658	31846	351	5190	1635	1336	0	0	3300	1278	1546	577	0	0	0	28403	16217	59519	16144	1623	14439	406	11772	2275	34332	4567	0	0	4298	315	0	0	568	0	0	32947	9858	5735	6087	2373	0	921	317	3723	6489	0	307	350	0	1783	1190	2626	3813	3448	7354	968	0	0	19686	13973	6001	1199	27310	0	10802	3161	0	2709	0	0	0	845	1013	1932	2408	1546	1658	0	0	4850	0	0	0	5436	4916	1491	496	491	1406	22937	0	0	5319	720	0	1217	3749	Peptide	0.5714286	1.2857143	0.42857143
10	C12 H9 O2 N1	200.0706	200.07083	-0.15761277	200.07057	5992	7224	7440	5625	7077	17242	13333	4456	3147	1662	2235	8177	2456	5216	5956	15185	33927	7146	6816	2461	1383	3794	5944	8821	7357	1189	16186	0	5868	3957	6523	7647	13542	6055	1494	6580	17921	7694	34345	1536	1736	7409	765	764	757	2077	1521	821	9112	5433	4811	5707	7003	842	2531	2405	3566	11527	0	0	10155	0	5353	1995	3440	6688	6352	41098	0	1390	1266	6079	5404	3406	6566	6800	1041	7052	8266	0	8005	1454	1696	985	4011	4999	8205	11437	7346	19415	3405	2581	10806	0	2272	856	7349	4786	1950	3265	2791	10318	7660	0	0	12006	1976	624	9654	4506	Phytochemical	0.16666667	0.75	0.083333336
16	C12 H9 O2 N1	200.0706	200.0708	-0.10922254	200.07059	7670	6292	6552	4277	5615	3477	8259	10003	2064	0	1908	5951	0	3448	8730	30494	23958	4272	6285	2023	2411	6963	5521	20092	12275	0	9322	1897	13154	6343	9437	12363	9740	10612	0	12146	13468	5537	28550	1249	1948	9191	610	804	832	1295	0	1269	18041	6743	7284	6519	5135	684	1774	1122	3587	23600	0	2743	20772	0	2523	1484	5073	5461	7255	27116	0	1731	0	9687	9947	5495	13094	8157	520	3340	10078	0	5941	1984	2455	2034	4721	4840	14434	10706	6433	29205	0	3012	0	1921	0	1056	7367	4025	2671	3146	2309	15128	5939	0	0	17339	2482	801	16930	3902	Phytochemical	0.16666667	0.75	0.083333336
18	C8 H13 O1 N3 S1	200.0852	200.08551	-0.008360728	200.0852	0	0	0	0	0	0	1744	0	0	0	0	1190	0	0	0	0	3983	0	2177	0	0	0	0	0	0	0	1907	0	0	0	0	0	0	0	0	0	0	0	4607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3505	1555	0	0	4404	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21042	5130	0	1529	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.125	1.625	0.375
0	C7 H14 O4 N1 Na1	200.08932	200.08969	-0.03126134	200.08932	9235	7151	7146	6748	13161	0	0	11358	1649	1917	0	3043	29412	0	1839	7865	0	25410	8608	2178	3183	8361	4712	10246	1916	0	0	0	19293	6478	13197	10610	21599	76829	3667	8748	17974	1361	523	1987	0	4642	0	0	0	3093	0	0	15902	4721	6330	6318	6930	0	2923	0	0	13605	1231	0	6058	0	3309	4980	0	29817	12729	0	0	0	0	69401	50456	9989	0	10869	0	4576	0	0	0	0	0	0	0	0	1212	32943	10429	0	8471	7679	8357	0	0	0	8033	6568	432	0	0	8898	4169	3707	0	16252	0	0	0	26693	Peptide	0.5714286	2.0	0.14285715
16	C9 H13 O4 N1	200.09174	200.09193	-0.15716192	200.0917	13634	20649	15146	18002	8126	13857	20910	16594	9181	0	5561	24610	6998	9838	24765	20495	16396	22323	14801	4517	3274	11779	18734	14285	95001	1515	20979	4927	16188	16527	14641	21008	14073	14728	4302	15715	17439	25954	19596	2530	1599	12927	8011	14910	16299	6244	5626	15473	20344	11145	26527	16720	13616	11748	8465	9352	13602	27628	5391	5229	18010	2570	5589	6996	8150	10431	8479	21233	0	2438	1297	18098	16637	15917	18136	15911	12225	16162	80068	72266	15760	8736	8605	3658	9089	9408	147624	18080	16960	187835	17230	9817	56256	17487	5889	14965	15551	20331	11371	7316	10187	20751	22018	8055	5489	15546	6635	12895	315451	15530	Lipid	0.44444445	1.4444444	0.11111111
14	C9 H13 O4 N1	200.09174	200.09196	-0.15571436	200.0917	13964	17743	13794	21259	15488	17603	19406	24876	17131	2729	6963	26267	16328	16185	24361	23285	24394	25264	20374	9054	7785	19787	18408	25770	49788	1357	23369	0	26589	22745	22773	31308	31391	26798	9193	24410	28554	22593	28163	5975	4574	20857	7873	13518	12816	11593	4636	14577	29578	15621	19204	21084	16513	11467	14290	11352	21043	31471	9245	6742	24078	3326	13729	14066	14364	19855	14979	29007	0	2350	2387	22950	22625	24796	20404	28228	10996	20520	25239	115525	16807	12578	14209	2575	15570	13093	46083	23850	22103	60460	23882	10082	45183	14976	5540	13827	17587	18986	17943	12772	14791	25516	28330	15730	0	24746	8094	13569	106238	16044	Lipid	0.44444445	1.4444444	0.11111111
8	C11 H21 O2 N1	200.1645	200.16476	-0.16068134	200.16447	15172	13493	12101	10881	7430	2206	15539	4380	3703	4810	3651	2706	8010	4566	1838	5951	4536	9670	11640	6888	4049	5670	2101	2738	2160	1926	37288	2056	3891	12893	4402	12686	32581	4571	9453	2848	26324	1536	14558	7783	7695	3039	473	269	361	3040	3606	0	11257	1518	11477	8035	4349	313	3681	3534	1804	6590	0	2903	6724	2828	12724	3715	2354	7149	3627	15263	0	2754	2758	5280	49219	2390	58212	80785	224	2038	3501	0	2237	1854	1524	4637	3843	0	14974	4751	4638	16180	0	0	6842	2855	0	0	13566	7686	3729	4854	4542	26523	3441	4630	0	4232	5385	0	2279	10454	Lipid	0.18181819	1.9090909	0.09090909
2	C10 H21 O1 N3	200.17574	200.176	-0.19817184	200.1757	2949	2569	2128	2518	0	0	0	2141	0	406	0	342	0	0	677	16610	991	0	0	1021	821	16416	514	9528	3985	0	1723	0	723	0	515	736	0	466	0	0	774	800	914	776	644	0	0	0	0	1146	0	0	949	591	2479	2387	0	0	0	0	0	14465	0	0	11716	0	0	0	0	0	642	1405	0	757	0	0	478	0	1068	378	0	517	3351	0	1452	0	0	511	0	248	3485	0	0	44483	1726	750	56489	0	631	0	2599	1684	0	0	0	0	350	870	0	10137	0	0	4145	0	Unclassified	0.1	2.1	0.3
10	C10 H21 O1 N3	200.17574	200.17593	-0.19635944	200.1757	106108	110735	103954	106291	0	0	19199	12761	0	4747	5985	20052	0	0	3286	213726	106824	0	0	0	0	0	32191	14911	0	0	62104	0	3031	341438	0	42920	82121	52648	0	23088	95501	179008	221954	2630	0	1807	0	0	0	7460	0	0	323176	6052	105457	98145	5031	0	0	0	4528	189409	0	0	564842	0	0	0	2174	1088	1351	199958	0	10353	2836	329270	179720	16143	44568	611593	0	20702	1877	0	19748	0	0	0	0	0	9730	60357	3037	27253	140356	0	0	0	0	0	112454	87469	0	0	0	132461	25662	0	0	11577	0	0	169776	0	Unclassified	0.1	2.1	0.3
8	C10 H21 O1 N3	200.17574	200.17595	-0.20606041	200.1757	2315	0	4643	883	0	3383	9262	914274	0	0	0	20586	0	0	404384	208179	358964	0	0	0	810	0	114217	183580	195502	742	4591	20645	249887	46813	126603	5097	7452	31247	0	91991	12258	169687	132908	0	0	25041	0	0	0	7307	0	0	54074	603540	3809	1314	2318	328	0	0	5437	14986	0	0	234052	1140	0	0	4828	0	4347	17423	15237	8002	0	133348	25793	152595	0	37782	0	21949	2518	7651	3099	0	0	1032	0	0	1998	15639	1598	1274	137694	0	1328	0	0	0	6397	11196	0	0	0	9841	4007	1693	0	77721	0	0	154111	0	Unclassified	0.1	2.1	0.3
22	C12 H25 O1 N1	200.2009	200.20105	-0.10552088	200.20087	20185	18752	15704	17103	1837	0	0	1360	0	0	0	984	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1969	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3970	0	0	0	0	0	17491	9939	0	3098	0	0	8925	2217968	0	0	0	0	0	1342	4990	0	0	0	0	1815	0	0	0	0	0	0	2519	0	0	0	0	0	0	0	4049	7978	0	0	2777	0	0	0	0	0	0	3214	9901	17626	0	3515	10107	0	0	0	1363	15818	13848	2926	0	0	Lipid	0.083333336	2.0833333	0.083333336
20	C12 H25 O1 N1	200.2009	200.20094	-0.25084242	200.20084	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	861	3264	3025	0	0	2372	0	0	0	0	0	1889	0	0	0	27669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2930	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2320	0	0	0	0	0	0	0	0	0	0	0	2399	0	0	Lipid	0.083333336	2.0833333	0.083333336
2	C3 H5 O3 N4 S1 Na1	201.00528	201.00574	0.8240368	201.00545	0	0	73855	0	0	0	0	0	0	0	0	0	0	0	0	295	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21024	0	0	0	0	0	0	0	0	847	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	793	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1603	0	0	0	0	0	0	0	0	Organosulfur	1.0	1.6666666	1.3333334
6	C8 H8 O6	201.03937	201.03963	-0.15241125	201.03934	3012	3500	2537	4024	12550	7274	2033	2889	7563	0	2012	4708	25151	9578	1901	2513	1986	12710	14977	0	1038	1879	4519	2991	1069	0	1588	0	2274	1848	1730	1588	3446	3309	1117	3683	2884	2036	1306	0	687	4682	908	848	1505	1544	0	957	0	1723	4106	4081	9404	1462	6539	9063	4152	3860	1313	563	3176	0	21343	4964	3773	14860	6722	2476	0	0	0	3545	2217	2420	1046	1959	1084	2626	2630	0	2871	1190	487	0	8450	4685	3001	4850	6487	2357	0	3700	3057	0	977	1028	3435	3249	5923	7944	10019	2946	3787	0	0	2830	6559	1060	1596	20245	Phytochemical	0.75	1.0	0.0
8	C8 H8 O6	201.03937	201.03958	-0.1814569	201.03932	2377	2818	2707	3353	10928	6409	880	1755	8688	0	2224	1963	22749	7857	1832	2183	1595	9826	9551	0	0	1224	3703	2677	736	0	1545	0	1496	942	2101	2096	2826	1655	1537	2607	2333	1673	1868	0	0	4408	863	1052	1629	0	0	1386	2402	1388	2803	3209	5931	1555	8387	8326	4477	1904	0	0	0	0	16027	6063	4162	12453	4220	2304	0	0	0	1847	1929	1656	1014	3058	1310	1862	1876	0	2975	605	590	0	10102	0	2870	4297	6000	1485	0	0	4624	1336	0	1335	4148	2818	5847	12875	12889	2078	2595	0	0	2353	5543	978	990	18847	Phytochemical	0.75	1.0	0.0
10	C8 H8 O6	201.03937	201.03957	-0.16583616	201.03934	4690	4612	3853	2634	12452	10569	1612	3251	12214	0	0	3297	16629	11276	3434	1827	3032	10715	14089	1235	0	2386	6943	1577	1376	0	2059	0	2864	1566	4271	3124	3726	2117	1757	2776	1283	2788	3470	0	0	6767	2098	1097	2224	0	0	2214	1573	1349	4385	3371	7228	2281	10144	9466	5125	2416	0	0	0	0	22045	8431	3669	14018	6852	4658	0	0	0	2326	2485	2568	1945	3623	1298	2512	3811	0	4234	0	1009	0	11810	4751	4458	5704	6591	2007	0	0	1773	0	0	1941	3966	2792	7434	11561	14992	4456	3066	0	0	2941	8579	1230	1658	25371	Phytochemical	0.75	1.0	0.0
8	C8 H12 O4 N2	201.08699	201.08723	-0.13566427	201.08696	6981	10017	9859	9303	20283	17393	3947	6977	23683	884	4365	10803	10533	7946	12937	27338	11542	25684	19903	1665	2554	6441	6231	7167	5668	446	4500	4253	8920	5706	7163	11254	13240	9336	2503	8208	12536	11639	15016	0	0	13284	1359	1250	1387	2383	1774	1061	6915	6351	7191	9100	16473	1725	12148	5449	10752	10634	2519	2555	7261	0	10198	10637	10010	12639	16282	13492	0	0	0	7692	9702	8861	5518	7280	846	6295	5164	5035	4043	2391	2271	0	6972	5258	8140	16799	16394	13388	29799	14944	18365	3009	1406	1161	7679	5856	15722	4667	5850	10364	9453	2011	0	9620	27231	990	3694	29042	Peptide	0.5	1.5	0.25
14	C11 H13 O2 Na1	201.08861	201.08891	0.29930714	201.08865	0	0	0	0	1584	3699	0	1476	0	0	0	0	0	12950	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1714	1420	0	0	0	0	0	0	0	0	0	0	2973	0	0	0	4439	0	0	0	0	1429	0	1672	276	0	0	0	2138	0	0	0	0	0	4933	0	1804	3701	0	0	2925	0	0	0	2149	22414	2660	0	0	0	0	0	0	0	0	0	0	0	31397	4768	0	0	0	0	0	0	437	0	0	0	0	0	0	0	0	0	1569	0	0	0	0	Phytochemical	0.18181819	1.1818181	0.0
6	C12 H12 O1 N2	201.10223	201.10248	-0.22999181	201.10219	4575	7144	3503	4664	1443	1624	3459	7506	1506	14811	15047	2162	0	1019	3812	8376	4948	3501	3940	9919	10611	4732	3012	8125	4427	1271	2892	14755	4868	5797	4551	4420	4946	5432	12000	3853	5793	3436	5389	2554	4179	2794	0	0	0	4128	2996	0	4856	4022	4294	5496	2398	0	0	563	1228	8969	0	1981	10192	1766	1058	0	1033	1566	2256	10126	0	2282	2815	5641	4785	4259	4652	6884	0	2509	4543	5404	3460	713	602	2954	804	0	5867	3275	2664	23122	5058	2151	18942	3952	7142	0	2973	4796	1137	575	0	6099	3251	1458	0	8561	970	0	4643	2004	Unclassified	0.083333336	1.0	0.16666667
0	C6 H17 N4 S1 Na1	201.11444	201.11472	0.08627578	201.11446	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2489	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1270	0	0	0	0	0	0	0	2065	0	0	61404	1101	0	6906	0	0	0	0	0	0	0	0	0	0	0	0	8546	0	0	0	0	Organosulfur	0.0	2.8333333	0.6666667
16	C9 H16 O3 N2	201.12337	201.12347	-0.21857758	201.12332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9962	0	0	0	0	0	0	0	0	0	0	0	0	0	0	337	440	357	0	0	0	0	0	0	0	0	391	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	407	0	0	9982	0	0	0	0	0	0	0	0	0	0	96071	18493	0	1780	0	548	0	0	0	0	0	0	0	0	0	0	0	563	0	0	Peptide	0.33333334	1.7777778	0.22222222
14	C9 H16 O3 N2	201.12337	201.12349	-0.12792942	201.12334	0	2889	0	0	0	1406	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21759	0	0	0	0	0	0	0	0	0	0	1654	0	0	0	0	0	303	0	0	0	0	0	0	0	0	0	0	0	0	1897	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34758	0	0	0	0	0	0	0	0	0	0	255746	45709	0	4487	0	546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7777778	0.22222222
12	C9 H16 O3 N2	201.12337	201.12354	-0.19123404	201.12334	3072	4961	5070	2508	1781	2820	0	0	0	1729	3209	0	0	1605	1044	1589	0	0	0	0	0	0	0	0	2365	0	0	38314	2004	0	978	2484	0	1436	0	975	2254	1035	2144	0	0	1676	0	0	385	0	0	0	0	0	4237	3579	0	0	0	0	0	3428	0	0	0	0	0	0	793	0	1076	0	0	0	0	1466	0	1081	0	1622	0	0	0	122118	1187	0	0	0	1100	1407	0	1459	1567	0	381966	130936	0	13952	2854	672	3620	2855	0	0	0	2524	1972	0	0	1786	0	0	0	0	Peptide	0.33333334	1.7777778	0.22222222
8	C9 H16 O3 N2	201.12337	201.12361	-0.19544253	201.12334	12437	14592	11654	11843	2556	9578	2763	4438	1777	1938	8076	1761	1356	1962	3750	6203	4342	3228	3183	0	873	2625	2028	4030	3587	469	3252	72294	3330	2735	2086	4095	4628	4511	1617	2019	4551	2795	6219	1488	1469	4345	0	0	0	3792	4641	0	3468	2429	12841	10988	1834	0	2514	858	2282	4629	1436	3129	0	0	3061	1672	3188	4161	2077	4917	0	0	0	2113	3912	2352	2780	3504	344	2189	3780	249137	1890	3511	2708	0	3242	0	4172	3453	2046	9300	847045	325243	5555	29663	7254	0	13309	11373	2715	1955	2457	4238	2653	1481	0	3683	2654	0	2471	3391	Peptide	0.33333334	1.7777778	0.22222222
18	C9 H16 O3 N2	201.12337	201.12335	-0.056396827	201.12335	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	308	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	278	0	0	2905	0	0	0	0	0	0	0	0	0	0	25588	4827	0	0	0	431	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7777778	0.22222222
8	C13 H16 N2	201.13863	201.13887	-0.16239299	201.1386	11243	13703	10802	11080	0	818	16720	3697	0	2915	6213	5605	0	1967	2847	5634	5093	1804	4707	3625	3411	1087	12802	6264	3798	675	23609	9171	4523	8739	10396	21993	32937	10277	2877	2658	42088	13145	23439	0	0	6635	0	0	0	2324	0	0	32289	3055	10457	9954	2768	0	0	0	5053	25831	0	0	15501	0	0	992	3603	1106	3928	76823	0	1553	0	8909	6093	2818	19608	11077	0	4375	19329	0	22750	0	0	0	0	0	23802	15257	28990	39632	0	0	8613	0	2160	0	14400	10214	0	0	0	44788	19611	0	0	15553	0	0	12026	0	Unclassified	0.0	1.2307693	0.15384616
4	C13 H16 N2	201.13863	201.13889	-0.250032	201.13858	0	602	534	418	0	274	0	2055	0	0	0	1225	0	0	7103	2877	1073	0	0	1444	1164	0	1846	2640	21036	0	0	0	1679	1316	1784	1222	0	934	0	1429	969	6431	1046	0	0	526	0	0	0	0	0	0	1519	2123	626	0	0	0	0	0	0	1118	0	0	1425	0	0	0	0	0	428	0	0	0	0	1742	0	2188	1283	1413	0	649	1192	0	10632	0	0	427	0	0	1174	0	0	1845	0	0	4995	0	0	0	502	711	0	0	0	709	570	0	0	2572	0	0	2477	0	Unclassified	0.0	1.2307693	0.15384616
6	C13 H16 N2	201.13863	201.13884	-0.277316	201.13857	3089	1972	3098	2423	0	4851	5442	23210	0	3515	3198	21171	0	409	31774	33160	29532	0	0	6358	5149	0	60374	88723	42167	757	1508	6569	32263	12493	24573	4687	2751	18168	1555	20729	5150	25097	9664	0	0	10701	0	0	0	3943	0	0	16600	17605	3573	2533	1849	0	0	0	991	4396	0	0	14745	0	0	0	6312	0	14536	6003	0	0	0	7214	1667	4256	2013	1973	0	18024	8892	5644	126423	1013	0	1235	0	3052	3865	2430	2996	12170	0	0	31754	1273	2976	0	3195	3168	0	0	0	6442	5463	0	0	33917	0	0	31347	0	Unclassified	0.0	1.2307693	0.15384616
14	C11 H20 O3	201.14851	201.14868	-0.15815957	201.14848	0	3757	1851	0	1176	0	12569	0	0	0	0	0	0	10462	2118	0	2498	0	0	0	0	0	0	0	2378	6166	13656	0	1785	3760	0	0	0	3372	0	1454	0	2022	1482	0	0	0	3997	934	1172	0	0	1142	1642	0	0	2053	0	2014	0	0	1358	0	0	0	0	0	0	0	7199	1646	5071	2768	0	0	0	1805	1254	2404	1740	2817	1077	0	0	0	0	0	31985	50310	0	0	1866	0	0	0	0	0	0	0	0	1366	3133	0	0	0	0	0	0	0	0	0	0	1358	0	0	Lipid	0.27272728	1.8181819	0.0
12	C10 H20 O2 N2	201.15976	201.1602	0.04368592	201.15976	0	0	0	0	0	21262	0	0	0	0	0	0	1274	59443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1153	0	0	0	1542	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1061	0	0	0	0	0	0	0	1911	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1219	0	369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1820	0	0	0	0	Peptide	0.2	2.0	0.2
16	C10 H20 O2 N2	201.15976	201.15994	-0.1606624	201.15973	22832	17892	18753	20690	0	0	0	136684	0	0	0	0	0	0	5906	368398	100718	0	0	0	0	0	0	3318	5667	0	7343	0	22374	47155	52213	20592	5473	0	0	15951	6443	6189	114216	1767	0	0	0	0	0	0	0	0	84584	48710	17032	17512	0	0	0	0	0	244273	0	0	375293	0	0	0	0	0	0	95114	0	6506	0	44315	48281	38668	7753	67655	0	0	0	0	0	0	0	0	0	0	0	1100	0	0	0	0	0	0	0	0	19543	13172	0	0	0	13647	0	0	0	41316	0	0	12538	0	Peptide	0.2	2.0	0.2
8	C10 H20 O2 N2	201.15976	201.15999	-0.26872995	201.1597	1285	3196	2499	2134	10818	1860	0	0	0	1045	0	0	154374	201231	0	0	0	2694	3147	0	0	0	0	0	0	0	0	0	0	0	0	0	1051	0	0	1228	0	0	0	0	0	1302	1668	0	0	0	0	0	0	0	2986	2773	3991	978	0	5308	2768	1020	0	716	0	0	5170	661	7904	33220	875	0	0	0	0	954	0	0	897	837	0	0	0	0	0	0	0	0	4253	25059	0	1503	0	1624	0	0	0	0	1047	0	2155	2372	12035	7342	15133	1073	0	0	0	0	33316	0	0	6161	Peptide	0.2	2.0	0.2
14	C15 H20	201.16377	201.164	-0.15983208	201.16374	7502	6458	7345	8417	9727	2858	9959	7548	5067	0	2186	4996	3840	5579	3637	8711	7525	4316	5590	2033	2791	17195	7690	5547	7318	2921	9456	0	3576	5860	3769	0	3801	3352	2593	4138	4473	6175	10740	1799	3416	4461	0	1094	927	4256	3944	1508	3753	7359	9967	8059	4103	924	4329	6754	4232	10478	0	7934	0	2710	3399	2794	5311	2182	4871	11494	0	1943	3606	4654	3394	4276	7878	5196	868	6080	10343	0	8466	5128	8600	3792	10683	5465	14126	2373	3463	108103	12084	9636	33271	10229	5521	1271	10079	6353	8170	15195	16041	7503	5665	4723	0	15525	10217	870	8908	0	Lipid	0.0	1.3333334	0.0
22	C12 H24 O2	201.1849	201.18509	-0.19378409	201.18486	6380	6829	7747	6897	0	13213	9364	2502	0	2098	2926	3044	0	492461	3180	1688	3505	0	6420	3482	0	0	2519	1475	1562	1726	20551	18752	1824	3595	2693	0	0	2870	0	2383	2237	3768	3151	1991	3926	14934	28569	22386	24252	3250	6334	15472	3263	3790	7929	7343	0	24556	0	23712	21723	0	4062	11493	11407	3676	3118	0	346949	0	90875	7755	3212	3085	4845	3473	1989	3621	1828	2600	25840	3443	0	12203	2348	1104	2029	3946	2008	5154	0	5213	4132	2307	7510	4805	1631	2850	4937	20144	6352	7133	85986	0	0	0	2780	9838	3060	2761	2414	22406	1252	2357	Lipid	0.16666667	2.0	0.0
8	C8 H11 O3 N1 S1	202.05324	202.0535	-0.07493111	202.05322	9541	9576	6490	9431	5495	14811	8664	6571	2348	2422	1052	5502	6477	9108	3129	20779	22016	12617	6237	1494	0	6608	1851	10801	3002	0	10368	2281	10975	7436	13759	20031	10187	23088	4027	11763	9492	3873	31411	0	1516	6423	0	0	0	1974	1720	0	18165	6462	6148	7723	5155	0	2046	1576	3293	24521	1708	2111	20505	0	1262	1844	5585	9832	7007	43711	0	1285	0	8223	15136	7555	22663	11402	0	2097	5220	0	4537	2712	1262	1291	3776	4346	6101	8671	9549	13013	13170	11255	10006	1831	1248	0	9753	6581	3985	2766	2029	8755	4021	2809	0	12841	4389	0	7873	5536	Organosulfur	0.375	1.375	0.125
12	C8 H11 O3 N1 S1	202.05324	202.05345	-0.14791162	202.0532	1891	1945	1783	1717	5049	1687	2388	3068	0	0	0	1594	1315	2949	2137	10015	3196	1313	1471	0	0	0	0	0	1943	0	3277	0	1806	8639	6192	2770	3472	6002	0	3503	6855	1276	2541	0	0	1379	0	0	0	0	0	0	10351	8383	2550	2777	2333	219	0	0	1280	9817	0	0	0	0	1253	0	886	1491	1943	0	0	0	0	20883	5035	5383	5950	7691	0	1321	2304	0	0	0	0	0	0	1402	1566	4320	3112	0	3940	2534	1979	0	0	0	2236	2714	0	0	0	2803	0	0	0	2539	2843	0	1723	1341	Organosulfur	0.375	1.375	0.125
16	C12 H11 O2 N1	202.08626	202.08646	-0.14088519	202.08623	5238	6307	6957	4655	5138	5260	9428	8027	3393	6274	4068	4498	3533	4197	4628	9424	10858	4413	8991	7476	3077	7514	5384	13429	4237	4051	7425	5283	8951	6900	5727	10966	9737	8203	7731	8475	10793	4738	10468	7204	6280	6337	1812	1702	1985	4129	5559	2154	11464	7995	5865	6447	6120	1651	2325	1702	5016	13811	3785	8044	14216	2171	3047	2760	3764	7726	7440	10100	0	1928	1434	7343	7966	5806	6493	8024	1619	4490	9257	8068	4867	5520	6657	3613	2642	4093	18886	8320	6891	28490	12950	8616	0	9590	8628	2318	5644	2785	4162	2167	3633	11596	4904	5269	0	0	3061	1533	7539	4129	Phytochemical	0.16666667	0.9166667	0.083333336
10	C12 H11 O2 N1	202.08626	202.08649	-0.15280026	202.08623	50658	39857	42547	51674	41450	40040	33369	80197	30175	13376	14463	48876	29412	13849	43993	134173	91913	62373	72448	10923	15339	47882	52784	105812	77690	10929	51048	18372	57377	53855	31074	55338	64973	57968	13738	51803	73118	41764	84461	8333	12529	46989	2302	1887	2165	26213	9291	2843	65922	51343	51439	45240	52823	2040	28328	20676	21039	127519	6639	12178	137161	3759	26871	22993	18346	52299	44133	98262	12119	16105	16532	61596	57789	31879	67023	43112	1480	39864	66485	21355	35701	8364	8727	6218	24058	26351	77341	60381	45482	171088	20220	16483	163402	11220	16040	2681	46886	45904	18412	24026	22169	71718	38076	10759	0	125766	26223	2367	61395	43464	Phytochemical	0.16666667	0.9166667	0.083333336
18	C12 H11 O2 N1	202.08626	202.08644	-0.17399272	202.08623	6072	7656	5999	4158	6583	6703	4685	6734	3330	0	5542	4042	2292	6141	7259	8292	6645	9532	9459	3238	3698	10908	6641	11396	5356	0	4626	5937	7380	7099	7209	6851	12469	9675	0	4043	17795	6368	7415	1855	3799	8365	1478	1265	1714	1828	2113	2433	6595	8564	6293	5277	7356	2067	2813	2043	3828	10371	2836	3646	8261	1353	5098	2702	2994	8163	5774	7379	0	0	1957	10136	6328	4800	6321	8572	1506	2793	3066	2785	3230	2446	3638	2563	3650	2362	6763	7892	6647	9642	11857	6472	26341	2413	2563	2862	5653	6265	3424	0	0	9495	5898	4976	0	12376	0	1614	6468	6474	Phytochemical	0.16666667	0.9166667	0.083333336
4	C9 H15 O2 N1 S1	202.08963	202.08987	-0.26513052	202.08957	1376	1488	1119	1617	0	273	485	1023	0	0	0	711	0	0	2408	4384	1690	0	403	0	725	8856	5797	27876	10026	0	916	0	0	0	432	0	0	0	0	0	0	1948	1314	0	543	0	0	0	0	11440	5024	0	0	0	1262	1879	0	0	0	0	0	4169	0	541	3331	0	0	0	0	0	0	0	0	0	0	0	0	296	1071	0	0	585	7330	0	13475	2869	350	0	0	702	6615	0	0	12683	0	1250	27196	0	0	0	951	1805	0	0	0	0	817	0	0	9025	0	0	9834	0	Organosulfur	0.22222222	1.6666666	0.11111111
8	C11 H11 O1 N3	202.09749	202.09772	-0.15986457	202.09746	2732	2662	1365	3296	1113	42151	5085	3512	0	1191	1637	1941	0	0	1321	5477	5934	0	5021	0	1314	1232	1832	2818	2707	0	11332	0	2315	2086	1870	5439	4510	4401	1170	3176	6109	1833	9799	0	1134	4776	0	0	0	0	0	0	4243	1872	1912	3838	43284	0	0	0	778	3298	0	1069	0	0	0	0	2122	18701	32723	10644	0	0	0	2217	4892	2775	3061	4724	0	2288	3571	0	1472	0	0	0	0	4117	2778	19571	5057	9501	0	0	5447	0	2165	0	1974	2349	0	0	0	7501	2169	0	0	6101	0	0	3180	0	Unclassified	0.09090909	1.0	0.27272728
0	C8 H15 O3 N3	202.11862	202.11894	-0.23508422	202.11858	8929	7900	8413	5801	11211	13163	3041	11343	9591	3073	8967	2737	15483	4595	3975	4512	14311	20317	16821	2728	4979	9470	5555	8656	7139	0	0	67770	16721	2669	14398	4058	25827	6904	3494	4583	7390	5973	18069	1172	0	24114	0	0	0	3085	0	0	9737	3446	6822	6025	23618	0	9907	4719	8413	15080	1330	1064	7165	0	9930	9384	11553	13038	31261	15437	0	0	0	5738	6671	3852	0	4565	0	4306	4361	169610	3342	728	0	0	6397	9884	6201	15812	17648	12882	113297	38989	14739	33158	0	0	5800	8175	6794	5999	8138	6641	6477	2861	0	19345	12609	0	5592	26800	Peptide	0.375	1.875	0.375
2	C8 H15 O3 N3	202.11862	202.1189	-0.24093704	202.11858	4910	5479	3366	2949	4042	0	998	1904	2791	1025	5138	2094	3486	1166	2136	2065	2382	2624	4241	725	556	3628	2372	3985	2234	0	0	19424	1845	1393	2403	1584	2922	1572	1656	2073	2123	2157	2750	341	0	0	0	0	0	966	0	0	1901	993	4526	4213	3202	0	2355	2082	2190	3303	500	571	2301	251	3783	1867	4711	4913	3889	3711	0	443	0	1416	1901	988	847	1811	0	1579	2532	74822	1893	0	400	0	1845	1958	3085	3246	3782	12113	35264	17185	8775	30297	422	0	4346	3037	3447	2716	2901	2540	1556	869	219	3965	3231	0	1518	3881	Peptide	0.375	1.875	0.375
6	C14 H19 N1	202.15903	202.15926	-0.1839832	202.15898	10837	17024	14210	14785	0	692	5348	19954	0	5952	5334	15324	0	500	14753	36445	5490	696	1827	4756	5554	2359	23277	87289	29088	1263	7198	4626	5003	14329	20386	15970	13738	13172	4813	7635	13294	25489	14501	1225	0	2260	0	0	0	10945	2376	0	24998	12260	14564	13143	1278	0	0	0	649	35242	0	0	51158	0	0	0	2100	0	2412	24836	0	2591	0	34439	14898	10359	16721	17636	0	16790	26639	0	32678	0	0	1209	0	0	48992	4749	4793	130710	10589	0	126371	1481	5512	0	12094	11191	0	0	0	11830	15464	0	0	62982	0	0	40633	0	Lipid	0.0	1.3571428	0.071428575
0	C11 H23 O2 N1	202.18016	202.18051	-0.09613869	202.18013	802187	642895	662599	557210	842297	1327813	148571	1193618	4401	1922506	188332	534649	610130	37792620	43933	325887	70193	625272	630452	1713388	5218066	644832	588260	468505	745026	178310	140156	983307	1100150	250287	911954	235929	2029632	168339	2851337	488925	744737	161191	62497	1402355	61081	385877	0	22920	2272	1188879	26834	17969	251479	361894	592063	571629	1387722	39566	4996	169879	190785	567718	192121	191511	5400495	0	18178358	3552	6569158	1212778	5816844	49551	738339	14584050	106186	330838	328725	617750	13259	586646	0	363483	13847	698922	41835	430972	61968	2995	48095	76829	12692	504229	0	29838	1072168	283359	506252	227621	558137	50978	694688	602122	322967	6824	16026	350755	398640	662168	237096	499889	16999	9174	39929	9183658	Lipid	0.18181819	2.090909	0.09090909
6	C11 H23 O2 N1	202.18016	202.18039	-0.19244057	202.18011	5042	6119	5954	6145	23287	3968	6587	6869	18663	3690	1304	1943	2829	32951	2560	8483	1091	17696	7057	2735	1325	3363	0	4017	3022	926	6317	2708	7816	17139	7905	33265	8555	6855	2705	7932	8518	1644	3041	4890	3636	2767	7008	446	699	11662	0	422	8811	6194	7230	5583	5028	661	3445	5815	3126	5810	0	0	22053	0	9687	0	64129	4799	6400	4216	0	5124	0	7111	19968	22408	5827	42163	515	2895	822	0	1175	2003	0	1817	6436	61488	2145	2561	2181	6292	4864	879	2392	1192	0	442	5864	5340	8662	1129	7656	5249	2529	5563	0	6788	9692	421	1841	3957	Lipid	0.18181819	2.090909	0.09090909
12	C11 H6 O4	203.03389	203.0341	-0.15189524	203.03386	13409	14606	7770	7917	22797	10993	3821	7639	23114	4346	6233	9084	24571	13575	9540	11491	5546	26686	30786	8144	3207	11175	16822	7126	7247	903	6360	0	6337	8514	6514	8435	11033	6825	8101	5283	9468	8728	7951	4297	0	12064	2199	2230	3034	3648	0	3645	5752	4649	11284	14750	14396	2233	19530	14738	11884	12041	0	0	0	0	32773	19678	8884	27584	13815	6161	0	2285	2988	5745	7077	5769	6415	10696	1900	8533	9198	0	12926	4663	2579	2198	16520	12853	14675	10723	19877	16296	5971	6077	8529	5298	5448	3196	8338	10348	13964	12289	16306	8855	9253	0	0	6108	14070	2448	8402	28385	Phytochemical	0.36363637	0.54545456	0.0
10	C11 H6 O4	203.03389	203.03412	-0.14357913	203.03386	10546	9731	6511	9198	13905	12425	6106	6665	19740	4508	5514	7362	20144	12604	9186	15016	5951	29060	28214	3680	5199	8297	13844	5236	6937	0	4701	2626	9283	6019	9204	9661	7582	8062	7677	7996	7557	8932	6696	2838	4775	14516	3194	2238	3643	5647	2023	3550	6794	5153	6714	10304	14487	2235	15763	11106	11762	16876	2156	2015	16849	2540	22040	14656	9140	22309	11520	6547	0	1722	2472	7236	7355	6692	6290	11259	2032	6767	10435	6771	10807	2622	2443	1729	16300	11444	16667	11860	16177	13388	3178	4552	10173	5271	5207	3380	8964	11008	15866	15509	14433	6357	9754	0	0	8988	10439	2661	8394	24898	Phytochemical	0.36363637	0.54545456	0.0
16	C11 H6 O4	203.03389	203.03409	-0.15581672	203.03386	6447	6310	4116	6671	13140	11646	2340	5298	8455	4885	1688	4948	18733	10807	6204	6982	3780	24752	20919	1794	3050	8840	9463	5273	5695	1386	3854	2225	6221	5273	4257	3320	7919	5905	3680	5108	5243	4262	3768	1412	0	7586	2155	1864	2764	3033	2359	2903	5522	3808	5190	6985	10749	1622	12612	8083	8632	10699	3392	2289	7112	2191	14955	10721	6869	22138	7304	3829	2229	0	2768	4359	5771	3333	2159	6646	2080	3140	8056	6200	10073	3858	1075	2459	9402	8098	10816	11337	11332	0	3646	4401	0	2222	2272	3527	6532	6235	6272	8089	8669	6417	6393	2514	0	0	6154	2285	5132	12280	Phytochemical	0.36363637	0.54545456	0.0
12	C8 H10 O4 S1	203.03726	203.03728	-0.01506141	203.03725	0	1610	0	0	1412	1734	0	0	0	0	0	0	0	1692	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1272	0	0	0	0	1377	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1111	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1145	0	8457	21025	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1293	Organosulfur	0.5	1.25	0.0
6	C13 H7 O1 Na1	203.04674	203.0469	0.5434915	203.04684	0	0	0	0	0	0	0	0	0	0	0	0	0	544	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28216	0	697	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	368	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	583	0	0	0	0	0	0	438	0	0	0	0	0	687	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.07692308	0.53846157	0.0
18	C12 H10 O1 S1	203.0525	203.05257	-0.062755704	203.0525	0	2943	1640	0	0	0	249156	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21486	199304	3401	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6007	1438	1096	0	0	2308	0	0	0	3435	0	763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4339	0	0	0	0	0	16005	296173	0	0	0	0	0	0	0	0	0	0	0	809	2862	1851	0	0	0	0	0	0	0	0	0	2400	0	0	Organosulfur	0.083333336	0.8333333	0.0
0	C7 H7 O2 N4 Na1	203.05394	203.05424	-0.22385074	203.0539	0	5333	14065	7394	0	0	0	1622	0	0	0	3292	0	0	0	0	0	0	0	0	0	0	2286	0	0	0	0	0	0	23634	0	8725	0	0	0	0	16707	0	0	0	0	0	0	0	0	0	0	0	2789	15303	0	2338	0	0	0	0	0	0	0	498	0	0	0	0	0	0	0	2623	0	0	0	21546	0	51707	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59534	0	8819	0	0	0	13238	0	0	0	0	0	0	0	0	3991	0	0	0	0	Peptide	0.2857143	1.0	0.5714286
6	C8 H10 O6	203.05501	203.05528	-0.15255278	203.05498	4976	6710	6900	6096	16897	11494	3412	4878	17382	2489	3575	2205	45352	15916	4705	3229	3448	22060	19895	2579	3105	3319	7437	4908	3035	815	2193	0	5180	4260	4906	5807	10825	6189	4433	4576	6415	5067	3994	1389	848	9890	2076	1294	1873	2825	0	1596	5616	4002	6856	4497	12880	2882	15458	13970	5702	3031	1147	967	5471	0	33379	9230	4860	24931	11308	5164	0	0	0	4987	6697	5555	1210	5332	1087	3664	5521	0	4383	2151	1067	925	12922	6874	3378	7227	11516	3280	0	3480	4212	1105	1737	1631	5687	7573	8921	12531	15174	9111	4068	2098	0	4419	8899	2937	2555	29212	Phytochemical	0.75	1.25	0.0
10	C8 H10 O6	203.05501	203.05522	-0.1939101	203.05498	4119	2751	3300	2752	11042	8514	1747	3621	10862	0	1223	2430	25970	9391	4487	2328	2169	15366	9433	1749	0	2380	4667	2095	2629	0	0	0	4562	2962	3156	3819	5192	2406	1873	1454	6219	3393	3530	0	1221	4928	2013	1026	2602	0	0	2052	2491	1408	4137	5301	8565	3096	11944	6199	3522	1498	0	0	0	0	16802	7991	3073	14520	6771	2674	0	0	0	3013	2225	3701	2150	2261	2054	3709	2474	0	2548	1302	920	0	6700	4728	3659	3279	6774	1812	5113	2634	1669	1560	0	2234	3091	5188	7113	11262	8890	4649	3421	0	0	3113	7915	1859	1979	19921	Phytochemical	0.75	1.25	0.0
8	C8 H10 O6	203.05501	203.05527	-0.10157511	203.055	5113	6005	4964	5778	17133	11310	2616	4559	16507	2218	2697	2646	30773	13554	4403	4405	3564	17102	14918	2190	1637	2978	6266	3403	3245	566	1269	0	3667	3673	4338	4771	5668	5606	2620	4497	4429	3754	2939	1435	0	9621	1797	1223	2575	2831	0	1798	4318	2429	3493	6810	10300	2173	15796	10554	6769	4328	2010	943	4980	0	30562	9680	8470	20638	8423	4234	0	1152	0	6104	4878	3531	2432	4735	1540	3855	3512	0	5197	2365	1644	0	9310	6644	3792	6625	10322	2750	0	6353	6047	2695	1350	1778	5795	5082	9619	11313	14444	4663	5104	0	0	3837	8892	3649	2251	26305	Phytochemical	0.75	1.25	0.0
2	C8 H10 O6	203.05501	203.05531	-0.15183565	203.05498	4787	3587	2740	2982	8814	0	1288	3109	6892	1106	0	1877	25294	11707	2187	1755	1729	11993	8091	1186	1442	3063	3176	2782	1887	568	1749	1057	4814	2809	3601	4267	4656	6198	2451	3065	3469	1459	1673	1261	1076	0	1034	1131	1723	2228	520	1174	2983	1644	3191	3046	4278	1299	6241	10028	2742	3073	1073	990	3330	698	13747	4651	0	11835	3693	1875	1294	1098	843	5687	4999	2767	675	4253	1238	2071	2141	0	2048	1628	1148	581	10736	3306	2545	4740	5024	1337	3338	2091	3006	794	1090	2516	2816	4358	7064	9053	13759	1633	2746	1648	1610	3395	5755	797	1771	14909	Phytochemical	0.75	1.25	0.0
6	C9 H14 O3 S1	203.07364	203.07387	-0.23626393	203.0736	1995	2768	2093	2698	0	1340	21698	1991	1162	1117	1162	9070	0	1401	1788	4640	4318	2082	2851	0	1120	706	1829	800	1913	0	158831	0	2383	1940	1479	2046	1911	1401	0	4427	1018	1072	4794	0	0	1816	0	0	0	0	0	0	1711	1187	1967	1813	1061	0	1320	0	1287	4727	0	609	2926	0	0	0	1402	0	2460	6536	0	0	0	0	1181	2290	2999	1490	0	5351	2285	0	803	781	553	0	1270	1864	3346	0	1831	4133	0	1332	0	517	0	0	2906	2267	1280	1112	1110	2579	14469	0	0	1847	1502	0	1724	0	Organosulfur	0.33333334	1.5555556	0.0
8	C9 H14 O3 S1	203.07364	203.07387	-0.21480946	203.0736	2088	1689	2362	1666	1905	1575	16785	1907	2144	1178	0	12091	1580	0	1875	4553	3027	1752	3751	0	921	0	1546	0	2964	0	76184	0	2992	1907	926	2880	1431	1810	0	2271	2132	1525	3008	0	0	2529	0	0	0	0	0	0	3424	1315	2029	2157	2564	0	1405	0	1100	3163	0	0	0	0	0	8107	0	2036	3807	3018	0	0	0	759	1055	1548	2601	2479	0	15138	1158	0	1202	676	524	0	2543	0	2852	2345	1797	1912	0	0	2273	0	0	0	2814	2867	1342	810	0	2125	134287	0	0	3209	1883	0	1840	2109	Organosulfur	0.33333334	1.5555556	0.0
18	C11 H10 O2 N2	203.0815	203.08167	-0.17464665	203.08147	13132	21882	7252	14608	4837	2078	4613	2285	6493	0	0	1516	0	7488	0	14679	13178	6895	11235	0	0	2234	2542	9018	3614	0	8023	0	7351	8352	13872	37812	56065	16362	0	0	28965	3933	24868	0	0	4013	953	1261	1288	0	0	1412	26522	1338	12597	12354	4283	1079	2826	0	2462	38806	0	0	17562	0	7834	2293	1099	10641	3454	45936	0	0	1716	6083	14494	1694	46468	33898	963	1500	7894	2085	7887	0	0	0	1932	1583	10784	9769	15334	31569	7613	0	6271	0	0	1075	12115	8250	3293	0	1264	35040	16023	0	0	10850	0	972	4894	6142	Peptide	0.18181819	0.90909094	0.18181819
12	C11 H10 O2 N2	203.0815	203.08174	-0.1668465	203.08147	8137	14123	10649	10716	6795	6291	16666	12562	3361	4623	8203	9044	3377	5251	11030	34298	22869	9428	10778	4717	4849	14728	9506	28169	15741	1195	15121	0	14098	13435	17662	14483	24198	18254	4959	15562	18779	12137	31654	3065	7243	13419	0	1473	1040	6066	3571	1823	20141	15397	11633	14519	10597	1246	3775	2182	6666	21658	0	0	27838	1651	6807	4930	5611	7417	7503	27389	0	3387	4121	15523	13375	10979	21720	19245	981	10248	14490	0	15737	3544	2853	2688	4563	6068	21679	15108	15647	57818	10671	14359	36101	6294	6165	1389	11112	15873	4253	2888	2790	19104	10613	5692	0	24125	3237	1146	15317	7769	Peptide	0.18181819	0.90909094	0.18181819
14	C11 H10 O2 N2	203.0815	203.08171	-0.15153782	203.08147	12958	12327	8436	14935	5564	6716	14141	14207	4555	2550	4222	8925	2252	5351	14716	23809	17862	4982	9378	0	2687	12876	12615	22495	16637	1504	15253	0	8184	11300	14404	16388	14798	15317	4143	9628	20292	10609	25583	1794	0	10729	0	1461	1042	3903	0	1571	21411	14198	14963	8423	6254	2737	1959	1918	6018	27298	0	0	29264	1192	4410	3463	5476	3542	9428	24105	0	0	0	17051	13527	4803	14893	9996	851	10572	21536	0	16502	3198	3557	1554	2768	3975	27972	17302	17560	47970	12753	9405	44606	6033	3645	2959	11106	8710	2506	2360	2273	21181	11076	3368	0	31555	2773	1318	23520	3687	Peptide	0.18181819	0.90909094	0.18181819
20	C11 H10 O2 N2	203.0815	203.08167	-0.1810576	203.08147	9667	5661	13802	14682	2638	12697	38843	49216	2103	0	1705	38550	0	16965	19144	49131	60961	4943	1763	0	0	0	16433	9440	13229	0	31754	5250	45657	66028	65841	55712	23550	89237	0	0	31173	25740	81211	0	0	19032	933	1616	1110	0	0	1773	98303	55473	16267	11869	10487	2018	2124	0	8299	29004	0	0	41962	0	0	7261	10483	3808	28421	53536	0	0	0	50006	66118	53348	74918	48957	1058	27502	7689	0	6389	0	0	0	2973	8635	25250	20442	21818	10415	0	0	9006	0	0	2151	13732	8764	3464	0	0	35205	22639	0	0	22148	0	1540	23264	2387	Peptide	0.18181819	0.90909094	0.18181819
16	C9 H14 O5	203.0914	203.09161	-0.14719988	203.09137	3140	1680	4563	4826	2992	2560	3989	2455	5485	0	1424	1966	6209	4056	3858	3103	18100	5007	2875	0	0	2168	4768	2123	3056	1374	2951	1881	2632	2517	3986	0	6972	3119	0	2903	3800	4814	16803	0	31517	1903	5047	4973	5536	1103	17042	6219	4749	2005	3317	2568	3180	6132	7661	5726	5559	2620	3167	18423	0	0	6952	4114	7086	2727	3049	37120	0	0	5332	2166	9557	9221	2367	3901	4528	2861	2868	0	3262	4691	6585	2528	6195	4360	4949	1218	3052	0	0	0	0	0	0	5278	3956	3651	4288	3046	8686	5060	3187	1867	0	0	7976	5093	3699	4711	Lipid	0.5555556	1.5555556	0.0
12	C9 H14 O5	203.0914	203.09161	-0.16747579	203.09137	18145	17779	14996	17832	12345	15797	25977	42940	13945	1492	4613	13867	16745	21913	45206	14776	4975	20770	18021	1567	2761	4966	9040	3158	14949	2574	13313	15754	62532	47616	731332	29424	51208	33083	2597	42073	38938	39286	8305	2053	0	13195	5196	5531	5852	2959	0	5607	60529	14327	20739	15923	13715	5755	18370	9609	14139	17539	0	0	0	1662	12155	10557	17864	21230	19216	5582	0	3539	1208	52388	30290	44728	5142	24403	3977	20879	8034	0	6715	3052	9353	6439	15120	15732	11643	10039	11995	5797	8131	13917	7238	3546	0	5679	13316	19156	12800	11698	15917	35696	14554	2265	0	18998	12975	5927	7938	17005	Lipid	0.5555556	1.5555556	0.0
4	C8 H14 O4 N2	203.10263	203.10294	-0.10670527	203.10262	5939	5603	5274	6206	4189	5573	4407	8159	4435	0	2672	3954	5465	2438	5584	7799	7904	8228	6684	2936	1087	3229	3859	7923	4999	188	3923	6939	7639	6485	8143	10590	7879	9083	2833	11217	6923	4737	9665	863	1116	11611	1001	263	450	2363	1128	0	7920	7204	7246	6459	6579	511	4556	3470	5895	8556	2094	1883	6559	0	5212	3860	4511	5348	6386	6649	0	0	0	7055	7165	8239	3406	5739	212	5078	2832	87444	3637	1267	1616	424	4002	5004	4214	7861	7139	5279	30767	8917	8503	7356	1499	780	4849	6412	4853	2753	3876	6449	4231	3042	0	6301	3982	473	3111	6605	Peptide	0.5	1.75	0.25
2	C8 H14 O4 N2	203.10263	203.10294	-0.12952366	203.1026	8599	9366	8764	7972	11026	0	4604	11923	7716	1762	3407	7734	11917	6417	5831	7088	9100	12950	11550	3036	3326	6718	6221	9180	2935	0	2259	30343	14364	10570	11643	14398	13706	15436	4233	12362	12959	5350	10253	1448	768	9875	738	0	472	3845	1674	1316	13351	7943	9905	8210	8318	370	6984	4514	5367	13186	3415	2279	6871	361	9816	6171	6030	13676	10783	8627	0	1473	607	18102	15290	15629	2907	11726	0	5043	3545	158433	5129	1295	2137	343	5375	6714	5252	14658	12204	6422	32641	17151	11842	13003	1985	0	8159	9441	6044	4635	6134	10602	6548	5279	1388	12442	6901	2012	3618	15090	Peptide	0.5	1.75	0.25
6	C8 H14 O4 N2	203.10263	203.10289	-0.07560594	203.10262	2096	4614	2252	3048	1482	1880	1489	2981	2017	0	1488	1253	1299	1235	2261	1955	2530	6979	1970	0	695	1070	1879	2124	1331	0	1738	8719	2268	2184	2583	2022	2990	1872	766	1896	2898	2077	2794	0	0	1745	0	407	0	0	0	0	2601	1168	3176	2220	1906	551	2228	544	1733	2405	876	800	1679	0	1245	0	1424	1916	3467	1922	0	0	0	1792	2082	2176	0	1168	211	2233	1307	34608	1402	708	930	0	1423	2385	1219	1663	1798	2155	36466	9129	4122	4075	903	0	2383	2177	1104	817	670	2507	1961	0	0	2854	1112	0	1233	2028	Peptide	0.5	1.75	0.25
24	C6 H14 N6 S1	203.10735	203.10765	0.88099766	203.10751	0	0	0	0	0	0	64528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1726	0	0	2111	0	3646	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4495	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	2.3333333	1.0
6	C7 H14 O3 N4	203.11386	203.11412	-0.40867302	203.11378	0	1409	0	1048	5350	1630	0	0	1233	0	0	0	5877	11747	0	0	0	6379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	465	0	0	0	634	0	0	0	0	0	0	0	0	0	695	3253	0	4222	4603	3312	0	0	0	0	0	21286	2256	3421	2452	4681	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	221510	15362	0	0	0	0	0	0	0	0	0	0	1029	1331	15607	940	1410	0	0	0	0	0	5873	0	0	1404	Peptide	0.42857143	2.0	0.5714286
18	C12 H14 O1 N2	203.11789	203.11806	-0.16984424	203.11786	3535	2741	1713	2584	0	0	4678	4289	0	0	1750	4563	0	1184	2979	6398	9039	0	0	0	0	3724	3189	2862	5163	0	3449	0	0	7283	4764	9347	8426	0	0	6801	2945	3026	12078	1191	2330	3182	0	0	0	0	0	0	8333	4797	3031	2591	1454	0	0	0	1423	6510	0	2114	4717	0	0	0	1547	0	2334	13781	2866	0	2076	1474	4211	4687	11121	7097	0	2389	4999	4434	4622	0	0	0	0	1231	7424	1728	2668	39798	0	0	12148	0	1961	0	1933	3181	0	0	0	6621	4105	0	0	5116	0	0	9252	0	Unclassified	0.083333336	1.1666666	0.16666667
8	C12 H14 O1 N2	203.11789	203.11812	-0.20614481	203.11784	223420	237346	201190	199258	4841	84983	134029	53363	7040	22489	26457	200576	1537	16770	36085	419106	375871	16504	29790	21203	16254	8509	127269	234399	31396	1018	216336	26477	253184	375941	459075	724941	612563	635720	17157	436203	674050	171322	435563	2633	4025	245276	445	579	0	23555	4058	0	602878	50465	182715	231619	57768	404	3458	1141	35868	527457	0	1092	432521	0	1437	10794	49442	14893	182104	906633	3857	28635	26922	281625	445380	217733	773406	456596	0	187854	58798	2359	75506	1134	1369	2841	2441	3799	115472	216947	260475	349897	10722	0	157374	2883	4088	696	186228	163828	3587	0	0	608408	174723	0	0	299468	0	481	95808	1886	Unclassified	0.083333336	1.1666666	0.16666667
14	C12 H14 O1 N2	203.11789	203.11809	-0.11931162	203.11786	2408	2197	3498	3313	0	0	2031	2091	0	0	11599	2185	0	0	2168	4079	5438	0	0	1844	0	0	1494	2768	2603	1376	4354	238012	4408	2464	1815	0	3611	2601	0	4233	4096	1356	5473	1368	0	0	0	0	0	0	0	0	3568	1950	3968	2311	1798	231	0	0	821	1951	0	0	0	0	0	0	987	0	0	8156	0	0	2686	1862	2544	2431	4550	4303	0	1245	2265	0	0	0	0	0	0	0	0	0	1281	7010	0	0	4226	0	2034	0	2503	0	0	0	0	2621	0	0	0	5316	0	0	2140	0	Unclassified	0.083333336	1.1666666	0.16666667
6	C10 H18 O4	203.12779	203.128	-0.19041806	203.12775	2741	3141	4062	3135	2914	1965	2969	71162	715	0	841	1032	2504	5478	2056	2668	0	1015	1815	0	0	883	952	2307	560	1651	1647	0	7908	30179	20172	5029	1838	3560	1338	9586	2982	1062	1393	1243	0	1465	1145	579	928	0	0	586	8676	47458	3809	3554	2149	994	856	1865	1528	2404	0	749	3855	0	1947	0	1700	3171	2936	1467	0	0	0	49351	14664	45289	1257	13433	672	3831	860	0	794	1069	9272	8876	2482	2014	1017	673	974	1542	0	1847	0	631	0	782	3471	4307	1877	3052	5024	1692	3128	1423	0	0	2817	619	984	759	Lipid	0.4	1.8	0.0
4	C9 H18 O3 N2	203.13902	203.13933	0.030081457	203.13902	2748	4493	4221	4190	1551	1897	742	589	997	0	0	666	1981	0	596	940	2039	2703	1847	0	0	2055	569	624	424	0	922	7953	0	1031	1125	1039	2276	987	1208	730	904	648	2164	0	0	1098	0	982	1436	0	0	4339	0	0	3833	3701	1453	893	4194	1272	881	2008	415	1418	1322	0	2939	753	0	1860	694	1434	0	0	0	603	870	1323	0	683	0	398	806	55165	1748	448	967	0	1413	1117	2101	1516	1120	3232	96243	52517	1431	88237	1870	3114	3134	3077	9971	1519	1913	882	767	0	0	973	1852	3638	635	4048	Peptide	0.33333334	2.0	0.22222222
6	C9 H18 O3 N2	203.13902	203.13924	-0.0917437	203.139	2766	3311	2870	2275	869	1903	1287	1406	936	0	1152	946	0	544	1092	1896	1758	1244	0	0	0	946	1261	1670	1053	0	707	19194	1389	1103	1346	1981	1945	1406	749	1143	962	822	1479	0	0	1891	0	0	0	0	0	0	0	646	1726	0	1200	0	934	0	0	2307	0	518	1582	0	0	0	1043	926	0	3087	0	0	0	0	1090	1277	0	628	0	758	625	65039	643	416	442	0	0	0	1252	1998	954	2829	139810	56518	2424	4795	0	0	1789	2965	410	0	509	2643	713	0	0	1834	716	0	1091	3390	Peptide	0.33333334	2.0	0.22222222
10	C9 H18 O3 N2	203.13902	203.13907	0.09150419	203.13904	0	0	967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7752	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17783	0	0	0	0	0	0	0	0	0	1273	82205	21828	0	2339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	2.0	0.22222222
8	C9 H18 O3 N2	203.13902	203.13925	-0.049470942	203.139	1986	1153	1963	1928	0	1126	0	0	0	0	0	0	0	0	0	1647	0	0	0	0	0	0	0	0	1113	0	0	12737	0	0	0	0	1076	0	0	0	0	0	0	0	0	866	0	0	0	0	0	0	0	0	1784	0	745	0	0	0	1057	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	63189	0	0	0	0	0	0	0	0	0	0	175289	62584	0	4855	0	0	1562	1409	0	0	0	1223	838	0	0	983	0	0	790	0	Peptide	0.33333334	2.0	0.22222222
2	C9 H18 O3 N2	203.13902	203.13934	-0.045820877	203.139	183974	185891	168444	148384	26116	232748	1724	32975	7139	34230	372148	4278	36535	20880	15851	7935	7103	39753	38606	5667	2369	38105	6998	67811	45337	0	0	1350110	50301	28048	45838	42176	59340	38082	16729	32746	57279	15047	12079	2766	0	163910	252	0	0	14056	2232	0	61670	20870	176297	183777	27164	1031	7955	2797	4775	98688	642	748	15605	0	38063	5978	14108	42906	32564	9218	0	4741	1695	35473	35154	26547	1358	21067	0	9168	4546	2036676	2944	0	513	295	23312	9282	6332	28925	56739	21050	2051785	3716259	33069	659560	10034	696	183964	183164	16229	4776	5751	47514	8453	15534	521	58139	3755	0	4732	42434	Peptide	0.33333334	2.0	0.22222222
16	C14 H18 O1	203.14304	203.14328	-0.057704724	203.14304	141078	153456	135121	148382	176976	90313	204696	128912	102923	100623	92926	98893	123359	143106	104817	194453	243807	121632	159942	134881	140468	175780	100775	128257	115227	167199	192101	81009	93675	110517	105834	133790	149997	100638	109582	120823	121362	103849	250580	91690	132935	106672	15297	10263	11521	88206	120114	14493	145308	115795	148704	163239	130519	9091	105711	140252	103388	216290	74737	139309	143605	57152	126781	91522	96586	131748	115294	224024	109032	122484	167011	106391	108434	121067	202650	135242	10780	79306	173488	140049	102659	101913	216334	239213	191681	112172	206417	115290	106906	407961	207553	172587	216958	113372	167032	12963	140065	151029	114873	248783	286121	159446	73487	118627	51698	148580	151919	9463	149085	122112	Phytochemical	0.071428575	1.2857143	0.0
24	C14 H18 O1	203.14304	203.14325	-0.05469477	203.14304	190626	193285	172703	178935	199997	145720	245321	184115	138873	150706	134686	136411	196273	204209	211796	260552	221935	190550	235025	181619	176599	169621	157963	162182	200374	134745	230720	156085	157569	163551	140061	188501	201777	158682	155055	200019	220026	192563	240140	107408	127288	142310	44301	35213	23939	106661	103449	36955	193955	150009	183710	185347	176938	22333	180571	167535	133893	276675	124120	113996	232596	82968	170141	146072	128625	205256	182325	220515	95135	108851	133337	126845	134296	160371	168736	184309	26254	136978	217625	165746	165067	123201	203565	156059	196320	131073	278612	131382	163116	384465	313521	258765	330518	118924	168606	36960	185073	206426	158814	196642	209290	228455	131755	171364	99891	208542	143029	43292	198539	165123	Phytochemical	0.071428575	1.2857143	0.0
10	C14 H18 O1	203.14304	203.1433	-0.040762328	203.14304	25957	22056	24253	22442	24762	16631	24497	29420	19091	13346	9714	16640	22041	18315	22428	32775	26862	21223	22049	21904	20141	36328	22217	28096	20785	23539	25178	12878	21174	22003	19501	20364	24885	16465	13963	20743	21901	21514	34352	20202	20998	16389	11941	9294	10440	22889	24599	14051	20031	20913	28593	30174	21205	10479	23585	26730	17438	35316	19798	19598	31209	13626	17308	17602	13781	15014	14056	32412	17903	17892	25587	15061	18984	20534	31017	26228	10776	17495	34347	18208	28648	24979	26987	19237	39937	24017	36124	14823	15802	75187	25344	27616	43643	20974	27083	10748	24377	26914	22915	53688	51247	21501	26535	19823	0	25466	29696	10130	22756	19294	Phytochemical	0.071428575	1.2857143	0.0
14	C14 H18 O1	203.14304	203.1433	-0.04945654	203.14304	88735	93177	77723	95019	92939	46120	110946	73857	80304	48894	48103	64269	67290	74111	64884	117992	144985	66950	78010	70632	70682	114444	71777	68512	69990	97783	126836	51110	73119	76521	61812	76426	84766	54057	55845	70373	70327	66559	144049	57944	83160	64286	11815	10119	8555	54836	74749	13714	83252	71523	87416	88370	75454	9611	73080	93898	64930	132790	45513	97849	82711	35626	76090	55148	60765	78513	66650	136686	67637	74325	100660	52319	59044	70593	100441	86009	9174	48187	108330	79584	82313	69869	146006	131520	138596	65921	120262	53214	58530	294099	118640	99778	159111	63612	93960	11836	91541	93526	73684	177241	205140	73981	62345	78004	30909	92968	94548	9938	92661	61880	Phytochemical	0.071428575	1.2857143	0.0
12	C14 H18 O1	203.14304	203.14331	-0.047194928	203.14304	55856	63141	50394	55687	47816	30196	51402	45823	40734	27619	30360	27587	33408	28943	39818	74213	60955	36223	49820	43574	36231	58635	38446	47835	44958	37427	69148	21048	38566	39144	42010	44373	43503	35145	34397	40523	36774	39628	69110	31944	45040	32468	9498	9172	9227	34160	57805	14107	48099	40773	57746	63557	36702	10002	44210	43303	33300	73834	26107	43337	67890	19139	45472	31488	26027	40332	31139	73366	28768	31462	46710	24327	31419	41450	69909	48755	7893	27270	54954	22144	51818	36779	58159	35085	66894	39180	62872	27086	34087	162672	76556	59534	87689	26193	62117	11196	55377	54929	37731	85405	91623	47205	33103	42455	19771	51704	54377	9021	48728	38076	Phytochemical	0.071428575	1.2857143	0.0
20	C15 H22	203.17943	203.17966	-0.002801279	203.17943	25376	26791	28625	24503	28549	17250	102055	19349	17683	6085	6018	13213	13829	67336	19851	36416	36205	58516	31095	3685	5334	19280	25004	18805	25334	20873	123615	14115	12209	11888	10998	11832	14306	9733	5372	16071	12365	20011	37909	3160	13773	13074	3529	654	769	8037	15560	1323	13013	16987	26132	28297	19583	1407	11641	27693	19355	37851	7220	16480	24203	7767	17790	8099	33649	19480	27008	33383	8004	11778	10631	7751	6032	14282	36653	17161	882	9597	35670	34218	27910	11922	56587	93606	30204	18819	42412	13982	16446	173750	47143	29914	85513	12565	12304	1301	28444	21156	32965	29707	33860	17261	9856	9100	8421	27743	33755	811	31778	10973	Lipid	0.0	1.4666667	0.0
22	C15 H22	203.17943	203.17964	-0.05448962	203.17941	71199	72700	52928	69137	67949	48185	258087	55173	36400	21152	29865	36216	32092	154704	46587	88214	105905	57841	45022	34509	25204	67536	63329	41404	85387	61294	329118	42398	32967	38108	30652	40713	33647	32501	17385	45132	35174	50991	98447	21144	41791	40981	7837	0	2160	30368	65969	3720	40230	53307	75305	58898	48472	3508	31689	65669	45502	106229	20430	49902	77381	19361	56149	31304	98071	47525	94518	105598	26155	26365	49754	24154	25230	41355	68105	43387	2433	25579	94186	98762	83569	50784	99889	144435	77434	60704	142782	31259	42074	632276	112537	113181	185602	38274	45474	2671	66890	66356	74480	76075	66624	51386	35263	36615	39796	72104	71516	0	94628	37554	Lipid	0.0	1.4666667	0.0
28	C15 H22	203.17943	203.17966	-0.038824666	203.17941	28574	34522	28290	28271	127755	19935	38569	29516	42567	8112	12288	13473	68293	56608	18664	34532	26062	42334	58373	11546	11677	28399	29499	21453	28353	18449	39167	21591	20280	21008	15845	22342	29280	18181	13233	25452	17555	22343	27338	10371	13522	16316	5301	3843	5216	17428	13722	3789	21956	29141	27502	32343	31311	7729	30744	40819	22475	43528	14105	13801	31664	10005	110403	20165	18988	91195	28861	31965	16675	11153	15640	13696	15150	20663	18343	23899	5083	13312	37514	30533	44401	17305	17670	15617	53696	21724	64687	17433	20912	107476	43849	36215	78984	17969	14188	3615	25505	30842	45260	139047	134615	24230	16233	20077	17785	34982	51101	4685	34479	95496	Lipid	0.0	1.4666667	0.0
24	C15 H22	203.17943	203.17963	-0.05317619	203.17941	104360	107542	84066	106645	101036	66796	470017	91596	64248	43714	67187	57225	71615	290612	82795	144820	145695	68633	102983	62354	58738	103792	99387	79351	94922	97650	467960	85607	58209	68131	49536	63646	65540	49466	50162	71421	54935	77364	151502	41330	73044	53407	18058	4284	5862	48186	96358	6315	65980	94462	102735	102438	73239	9782	67155	99662	77656	152822	40674	94626	139420	38051	109803	47522	194331	84414	142732	139269	51365	60023	78848	40340	39589	59850	95637	72541	7552	47286	159765	196030	133889	94505	143172	175953	124276	85419	221582	55290	69097	586114	208690	155034	403947	79599	84046	7320	98060	107129	105447	107705	125193	63393	52651	74297	60203	111209	99153	3914	137226	52404	Lipid	0.0	1.4666667	0.0
16	C15 H22	203.17943	203.17961	-0.028158292	203.17943	2148	3261	1683	2447	1687	1376	6632	1819	1779	0	0	1102	1852	3912	2552	2194	3475	0	3095	0	0	1675	1854	2299	1814	0	2896	2354	0	0	0	0	0	0	0	0	0	1502	3455	0	0	0	799	560	638	0	2683	508	2223	0	0	2942	1361	739	0	2282	2770	2260	0	0	0	0	1840	0	1764	0	2210	5849	0	0	1337	2161	0	1363	3224	1416	584	0	2337	0	3893	1124	2868	2505	6241	2588	16262	0	0	51437	3589	0	0	0	0	436	1565	0	3460	7439	8708	1573	1953	0	0	0	4107	344	4403	0	Lipid	0.0	1.4666667	0.0
14	C15 H22	203.17943	203.17958	-0.061680578	203.17941	1662	2359	2157	2397	0	3108	2902	1409	0	0	0	0	1981	2000	1121	2672	0	0	2748	0	0	0	0	0	1623	1347	1054	0	1612	0	1578	0	0	0	0	0	0	1160	1709	0	0	0	0	626	516	0	0	804	0	0	2138	2128	1707	598	0	1674	606	5916	0	0	0	0	0	0	744	0	1674	0	0	0	0	0	0	0	1358	0	486	0	1776	0	1779	0	0	972	1309	0	14079	0	0	142401	2861	0	3464	0	0	843	2242	0	2346	1268	2395	0	0	0	0	0	1429	669	3045	0	Lipid	0.0	1.4666667	0.0
18	C15 H22	203.17943	203.17966	0.03581765	203.17943	4032	6777	5919	5090	7948	2359	20318	6723	2850	0	1666	4278	4756	11101	5018	9268	9113	6785	8173	0	0	5063	4444	6862	4886	3284	21252	2749	3242	3712	3645	4437	4720	5666	0	6711	3037	3990	12175	0	2481	2419	1539	499	562	3000	1403	961	4669	7544	7603	4607	6544	588	3789	4630	4817	8525	2291	5055	8423	1385	3314	0	7288	4756	10329	15298	1991	1758	0	1662	4091	5021	16928	5030	557	2769	9929	8153	5736	4716	13605	13544	9612	5220	24517	2740	5440	46609	7985	6180	17554	2243	2519	657	6208	5393	6994	9710	10132	5758	4097	4055	0	6520	7519	454	9649	0	Lipid	0.0	1.4666667	0.0
26	C15 H22	203.17943	203.17966	-0.004231923	203.17943	76553	70773	61585	66559	70808	40795	158827	67624	62793	23581	57058	43779	54942	106428	71018	85348	82645	62837	87043	41771	38870	76831	59730	60250	67343	52810	167034	92542	52683	57894	47064	54837	52311	34580	36533	61893	49733	72542	93713	35297	49918	39963	9527	6788	0	36810	40746	7091	50398	74353	81577	74421	62721	0	67640	96214	61725	111388	36378	53673	83513	28379	62154	42999	69183	56074	86675	97907	43284	32936	39153	36863	30717	48782	56409	58491	0	38311	108723	152503	102187	69880	64383	62860	107144	67197	183098	34636	47165	280215	145685	116005	194465	58955	50880	7752	66762	79727	77304	119135	119278	66569	38732	58237	54318	68196	85584	9349	100569	44469	Lipid	0.0	1.4666667	0.0
8	C11 H9 O3 N1	204.06552	204.06581	0.00725915	204.06552	24918	31394	21802	24756	32423	20084	19883	21667	24974	11408	12005	19635	27726	19515	23534	55030	45233	42489	53630	12176	10630	28557	26764	34438	27494	5369	22803	9633	28001	20292	20456	29007	36188	25360	15380	26283	36431	22692	41898	11752	12416	24128	3799	4017	4987	17889	11978	5395	31357	17169	28571	27362	29359	4560	26738	18846	19657	43141	9548	12210	26732	4950	30565	22699	15206	33595	22553	42416	9631	7744	9596	18989	25542	16392	25540	27383	3604	16111	38768	22684	21354	12877	11163	6530	22384	16724	57939	42573	37018	93370	28867	20933	58940	11104	13392	5560	26348	29857	21611	28120	22248	31631	20419	14473	0	34682	17098	4125	28295	37859	Phytochemical	0.27272728	0.8181818	0.09090909
10	C11 H9 O3 N1	204.06552	204.0658	0.020598672	204.06552	32927	36972	27742	27034	59336	59425	28467	39446	36861	15341	15564	24487	48064	45254	26608	56672	40243	68388	69693	19110	20419	42436	32063	48777	31456	5865	33058	14910	36166	29462	31139	37549	70369	30664	19837	25729	67986	25046	46896	12693	13100	32985	6184	5173	6011	21534	12645	7044	40939	26551	31728	38029	51964	5985	31261	24451	21973	60135	8542	16786	50557	4161	46619	32534	18894	72032	46417	49127	7304	10355	7104	26591	26409	19281	32477	31329	4680	21857	35470	23284	37770	15399	10550	7279	40694	31596	46535	48148	44876	91604	34606	27521	92951	12021	15208	7341	35574	31409	26683	32768	33285	48307	25533	17675	0	55277	25235	5431	30734	56536	Phytochemical	0.27272728	0.8181818	0.09090909
12	C11 H9 O3 N1	204.06552	204.06578	-0.015108167	204.06552	41764	49910	38805	44148	35134	87788	41934	34618	29913	31771	18476	18720	34418	28939	25516	58044	36740	55069	56410	16815	11553	47895	30066	49116	37593	7438	38238	12695	25898	31647	34255	34582	45398	34360	27315	26673	98975	23119	44391	13040	15122	32319	3987	4961	5678	21635	17002	6829	42639	30594	43298	52784	35997	4453	26377	22716	25043	53019	7913	11325	48890	6564	46579	21034	19466	54028	30433	36625	0	12087	8273	33314	26417	20707	37368	34562	3538	17422	38468	20979	30369	14225	14991	7838	21806	24675	35945	48729	34558	91596	103199	86489	122057	14447	25254	6860	42462	45281	22215	31862	31078	52737	23284	21571	0	65286	22685	5173	34712	54180	Phytochemical	0.27272728	0.8181818	0.09090909
14	C11 H9 O3 N1	204.06552	204.06577	-0.025532875	204.06552	52073	55731	51302	62042	84997	56905	58459	59598	40841	20066	21494	44948	40360	52192	48236	120018	87407	91142	91866	15066	9958	71597	46530	96824	59846	2473	61470	24530	46585	41339	51379	70764	99225	62898	17611	45393	105954	40608	111085	8327	10177	47250	3691	4270	4813	18083	10049	6560	73351	34704	64939	52944	71506	4642	32016	24731	37041	124288	0	13343	109418	3067	74945	41478	31370	91319	70736	106793	0	9090	9494	43033	36223	27311	70463	44164	3841	36875	122206	37236	78574	12810	11933	7570	47052	38202	156086	99775	92452	290590	68837	44022	214008	13982	17446	7530	55110	48432	30313	25199	40134	88377	48910	13627	0	123736	25243	4916	72944	74065	Phytochemical	0.27272728	0.8181818	0.09090909
16	C11 H9 O3 N1	204.06552	204.06577	0.025764596	204.06552	32866	29682	21006	33585	39459	48118	24363	23819	27280	73223	15150	21276	23195	29954	24147	40730	42697	50189	56357	4651	4297	30790	36748	47634	32090	2566	27874	23434	24406	16800	27307	24918	59949	19135	104429	21530	45158	18247	50302	7449	5949	37180	9703	5374	5304	14119	3962	7337	33793	19063	31279	32723	42133	5779	18624	16727	24787	50007	3416	7156	33619	2026	46114	17268	19048	46850	43642	46204	2508	5655	6970	18051	14635	11016	15539	21464	5306	18976	50753	23933	24849	9803	6470	4207	23411	28699	62073	60480	42196	144336	90632	44856	61310	6876	18189	8017	30384	32683	17159	20995	19627	56777	20153	8005	0	41412	17519	5879	38153	49561	Phytochemical	0.27272728	0.8181818	0.09090909
4	C8 H13 O3 N1 S1	204.0689	204.06923	0.08915951	204.06891	4101	5969	6037	3826	2360	1484	4300	4577	1873	0	0	4521	1321	4337	5085	8727	5691	2696	5094	1557	2184	13659	5856	7882	10883	227	3216	0	2732	3554	5099	4045	5758	1808	3098	4299	4193	4409	6827	1107	1458	2641	0	0	0	3750	2597	0	4070	4170	4390	4502	4351	0	3135	2237	1492	10459	928	1681	4866	0	3290	1531	1979	2061	2435	8250	0	0	0	1385	2235	5267	3346	3169	0	3387	12609	0	6354	2302	805	333	3160	3532	11335	2274	2971	42448	1720	1871	38674	1220	1044	0	2561	5392	2037	2641	3404	4399	4492	1464	0	10566	3881	0	12011	2429	Organosulfur	0.375	1.625	0.125
18	C10 H9 O2 N3	204.07675	204.07693	0.046255995	204.07677	0	3417	2715	3058	0	0	4764	12562	0	0	0	14279	0	0	2853	8561	12501	0	0	0	0	0	0	2027	0	0	5241	0	4662	19517	19177	2789	11659	0	0	11901	3768	4619	15784	0	0	2080	0	0	0	0	0	0	3566	22644	2797	2865	0	0	0	0	0	7438	0	0	2584	0	0	0	1540	0	0	14949	0	0	0	2346	1719	14228	18524	18207	0	6599	0	0	2524	0	0	0	0	0	0	0	1219	2145	0	0	0	0	0	0	3582	2138	0	0	0	10468	11372	0	0	6509	0	0	1965	0	Unclassified	0.2	0.9	0.3
6	C10 H9 O2 N3	204.07675	204.07709	0.0966986	204.07677	12818	12672	11335	12777	3143	3514	15382	41118	3149	2370	3320	14394	2869	2654	13937	40549	27523	5876	7186	1616	2521	15897	15112	26447	17095	503	18473	0	21589	25431	24455	22892	21089	22471	2788	20362	18891	16974	31861	2513	3770	7956	0	0	0	5690	0	0	25668	29696	15080	12978	6919	0	3247	1636	3461	26256	1111	2665	36361	0	2691	3102	3107	5608	6333	31416	0	1745	0	32310	21991	16465	19941	27756	0	12553	12014	0	14728	1981	1509	1104	3566	4548	13569	10875	8767	68459	0	3286	56001	1311	1430	0	12159	12192	2275	2074	1809	24278	16609	2035	0	30883	2575	0	15066	5252	Unclassified	0.2	0.9	0.3
4	C10 H9 O2 N3	204.07675	204.07709	0.037356067	204.07677	3676	4213	2928	3010	3575	1633	3098	2797	3909	0	2764	2289	2309	1869	2944	6879	8698	4509	5490	1135	1490	3244	3116	4904	5643	923	3743	0	3310	2778	2442	2632	3474	2716	1677	2062	3642	4019	12095	1825	3210	3729	0	0	0	2514	1772	0	2893	4101	3928	3353	3687	0	3192	2697	3088	5536	539	1682	5579	1393	2522	3131	3595	3623	3174	9430	0	0	0	2383	1681	1654	5089	2324	0	2054	6247	0	5370	2058	1086	1058	3807	3345	6695	6050	5224	24226	1984	1653	13207	2062	1346	417	2855	3243	4037	1706	1794	3741	2647	1623	0	5870	2834	0	6766	2845	Unclassified	0.2	0.9	0.3
2	C8 H13 O5 N1	204.08665	204.08699	-0.047815844	204.08664	181037	193994	144359	173873	177487	643786	110662	195078	153495	27656	40764	157204	315970	194474	126092	51068	172595	398197	192210	23252	33482	95705	129026	155462	52500	4208	27791	48483	273138	134305	213802	237843	269380	704891	41693	220688	241580	118051	175228	18290	9141	131400	133077	8667	11958	46494	15105	8186	236063	99446	167178	182725	168363	13720	146569	85133	69494	210735	19321	13453	100160	7259	195681	119410	86863	522850	187471	222023	12282	19401	15314	765024	501216	196128	18809	201615	5481	154464	107041	42599	97050	35196	13791	8868	97429	92243	132883	510529	219720	162251	167130	95479	187069	20997	9807	16883	179525	190299	108382	75954	102173	147421	159596	26243	18736	160631	83384	7738	84058	304338	A-Sugar	0.625	1.625	0.125
10	C8 H13 O5 N1	204.08665	204.08691	-0.00495848	204.08665	45577	43868	37704	44218	25526	63001	41247	64565	29689	7068	15753	48843	28895	35895	50429	67129	59333	48102	47133	6699	5138	26217	45156	59782	39630	2088	49985	15083	63229	59001	64979	65910	73305	98599	10042	55746	65118	45190	66263	4373	3741	32901	9977	14792	13278	18077	6215	13421	69608	48504	45329	52492	28108	11993	28835	20108	21538	69943	10171	7701	63453	3472	23083	21348	26813	49671	29732	70111	0	4608	5389	91733	66934	52460	44088	55157	9926	44878	48289	26662	43607	15477	8656	3675	24321	25330	60165	61056	43495	65291	70337	36931	54012	9057	5768	14546	46133	48493	23946	24111	21561	59509	51723	9803	0	53054	20291	14558	42590	37569	A-Sugar	0.625	1.625	0.125
6	C8 H13 O5 N1	204.08665	204.08694	-0.04589466	204.08664	114820	145676	109359	118499	96394	252523	101531	160623	95957	20086	37177	95742	143108	106168	119397	178121	109251	196753	131045	22901	19584	76500	116645	175152	97255	3565	87305	46713	168749	152627	163138	178514	190854	282231	30801	153735	186481	107892	137318	11790	9280	90537	18337	10448	10837	47821	16766	9405	199251	115227	138633	126480	99257	13771	97636	54795	60187	184081	19661	15064	182762	9330	122279	55948	55574	204094	134970	151235	10057	18948	12875	274646	185073	161846	66207	128781	6849	100273	96613	41321	88083	34069	16818	8325	63987	82077	143576	170595	146096	136835	130295	106790	199233	20655	16721	12538	113116	121808	54040	48503	65236	174461	120970	24311	29883	144131	56444	10906	97626	169111	A-Sugar	0.625	1.625	0.125
8	C8 H13 O5 N1	204.08665	204.08693	-0.023715153	204.08664	62130	79004	57754	70273	44279	124483	56813	78563	60390	14441	20882	64008	61459	47912	69025	97897	76409	80607	70947	12807	11311	39947	61801	93804	55564	3658	59510	23991	87467	69407	80734	105321	98961	134682	16590	79359	99189	68843	92935	8977	7503	50915	9737	11473	12823	27549	10054	10391	107006	65123	62031	77093	54281	11102	51353	34751	39658	87647	11963	12219	82711	4882	44961	43822	34587	96974	57394	90822	6108	9265	7208	149722	104771	72415	53080	84171	7932	69481	66387	33876	53182	25989	12271	5422	37022	40122	76633	96909	74704	92739	84740	60543	103953	15151	8194	13121	71361	66231	45433	38974	38395	91747	75197	14036	7028	75232	42098	10509	59310	65534	A-Sugar	0.625	1.625	0.125
8	C9 H9 O1 N5	204.08798	204.08815	-0.25886887	204.08794	0	1144	0	0	0	0	3696	0	0	0	0	896	0	0	2801	0	5139	0	0	0	0	0	3374	0	13348	0	6038	0	0	0	0	0	0	0	0	0	0	4915	4124	0	0	0	0	0	0	0	0	0	0	0	1208	1202	0	0	0	0	1432	0	0	0	0	0	0	0	3658	0	0	8598	0	0	0	0	1071	0	818	0	0	0	40516	0	86014	542	0	0	0	0	26626	0	0	12202	0	0	1894	0	0	0	0	1145	0	0	0	0	0	0	0	0	0	0	22022	0	Unclassified	0.11111111	1.0	0.5555556
18	C12 H13 O2 N1	204.1019	204.10214	-0.011762974	204.1019	24174	21969	22070	22571	12414	15251	51970	17281	7984	6941	11790	37486	10825	13674	27898	29070	143042	18106	20261	8565	7146	19317	16591	28713	13716	4697	58770	14329	30143	21409	24411	26685	47051	35052	8236	22909	49503	21974	170573	5694	12517	18569	3985	4211	5372	7353	10633	5471	31342	15830	21416	20441	15404	4544	9741	5218	14261	36824	9139	11651	26231	3893	9699	8663	19445	23227	18041	228027	3317	2542	5933	17020	20234	17749	41169	20330	4342	14395	32419	15897	22333	9322	7042	7434	7972	12448	30758	43457	21348	88539	18177	16707	37748	9068	6471	6112	24385	16881	8117	7646	11136	37138	34718	10020	5254	37015	8768	4481	38098	14332	Phytochemical	0.16666667	1.0833334	0.083333336
6	C12 H13 O2 N1	204.1019	204.1022	-0.025897268	204.1019	25254	31503	20882	23777	18579	19625	22340	25976	16837	23444	15749	17580	14219	13201	16579	39736	30432	26216	32021	20165	24625	27309	17789	35067	24146	13130	20224	16117	27079	23545	22311	36334	44255	30172	26744	25260	46499	17421	36532	17088	23794	19748	4721	3711	4445	24783	22664	4105	34136	22586	23487	26940	21487	3810	15843	11104	12290	44496	8609	15213	38476	11634	15343	11157	9718	23505	19736	45201	12304	17076	16789	24806	23001	19979	19402	25410	3609	10354	23804	12140	18927	15557	12247	13014	12308	13318	28454	26398	27986	64403	34214	19846	55430	16056	28410	3937	24532	22142	11017	10761	12710	39749	18850	20056	9579	42517	9360	3488	23512	19528	Phytochemical	0.16666667	1.0833334	0.083333336
12	C12 H13 O2 N1	204.1019	204.10217	-0.010343642	204.1019	35391	39628	34726	38075	16471	15397	32343	26472	13619	50096	40921	17425	10427	15044	17862	58509	41650	21227	27649	51931	41081	54504	18321	46694	26151	17735	38087	21309	25772	33550	27676	41126	39215	41464	39146	37321	54564	21573	54839	28934	51374	23275	3908	4730	5020	29198	31838	5681	43147	32278	40563	50763	20638	4562	13506	7949	14735	55935	14763	28548	55972	12680	16787	12833	12940	22192	20010	41697	0	18476	23414	28941	32133	31322	60199	42705	3409	17406	21982	21835	22059	24304	24300	25467	9681	15418	29798	34723	26379	78657	53520	41861	73501	25232	62254	5728	40558	37000	13393	8855	10703	57966	22974	41080	0	40521	12243	4472	33184	21986	Phytochemical	0.16666667	1.0833334	0.083333336
4	C12 H13 O2 N1	204.1019	204.10223	-0.046880327	204.1019	32428	35037	28379	28156	26347	19354	19825	30289	23339	44596	36194	22773	21612	14150	18208	42277	44490	31979	36806	37424	48527	50332	19842	36475	20218	15161	21267	33673	27065	26655	26262	31872	45967	28074	56865	32001	40981	19370	42957	32661	45889	25435	5485	4472	4744	22871	30339	5262	36667	27146	29601	27358	25494	4399	28122	14449	18249	43385	7482	19941	37711	20109	26227	22333	12397	24644	19745	47484	14801	17370	22068	26518	27744	24573	31816	29036	3280	21148	28011	27503	21928	18520	13368	25156	16508	16655	35120	30664	26650	80495	30913	22404	63760	36810	49420	7780	28462	34606	19519	16871	15993	41962	22309	24554	17697	37312	15303	5127	22800	31058	Phytochemical	0.16666667	1.0833334	0.083333336
2	C12 H13 O2 N1	204.1019	204.10223	-0.06488028	204.1019	42892	42281	33791	34079	34585	32874	25174	39619	26283	71825	47060	24205	28076	26420	22771	57034	47758	40770	46344	73041	77588	47404	22032	37058	24328	25323	29343	39900	39419	34243	40869	41583	61406	35689	67519	38054	48398	21711	40736	66690	81754	27820	3929	3607	4785	26917	37206	4747	45170	26485	31864	38026	32052	3277	33082	15916	17688	51681	8164	20425	47917	35103	28481	29562	13479	31267	34625	51127	21522	31799	36301	34884	38771	33889	60408	42786	3079	24491	24662	25673	19690	17386	13364	55358	18790	17115	26892	33878	35663	64983	31275	25180	66131	27011	43731	6248	38070	38009	23373	19810	19180	51430	25724	35988	18911	46664	18623	3906	23595	35496	Phytochemical	0.16666667	1.0833334	0.083333336
16	C12 H13 O2 N1	204.1019	204.10216	0.004279066	204.10191	24891	26343	24122	25562	20976	21354	30852	27206	12260	17364	18453	22785	9210	15894	18829	40944	47949	27518	26865	21939	23098	33195	21008	34076	27553	10124	28328	22524	35643	41281	33589	44437	43379	41665	25517	47890	56403	21484	60895	15461	21188	23866	5708	4829	5550	13725	15886	6841	41857	31169	29656	28915	23061	4183	10083	8231	11966	53547	9048	22555	34936	8260	14270	10220	11790	36676	24446	49481	4567	7080	14854	39706	47307	63426	47091	45730	4979	21895	25766	43150	18870	17651	15177	12531	12662	12785	34293	28727	35002	116995	31848	21684	53430	16941	17236	6169	25849	25923	12260	9208	11667	46891	18985	20913	5172	37193	13319	5287	25664	18015	Phytochemical	0.16666667	1.0833334	0.083333336
14	C12 H13 O2 N1	204.1019	204.10216	0.001930084	204.1019	48986	43659	39073	38912	31575	21383	39388	31508	16429	36554	35948	28273	16513	17796	23698	69760	61315	31560	29492	31656	32912	55320	25517	51551	28388	16364	49149	30987	34619	35458	39410	65558	54532	58036	36049	36265	57133	23064	54953	31610	59335	39477	4598	4649	5106	25025	54608	7375	56402	37057	49758	40807	27246	6743	14003	9370	23698	76591	12401	44662	41987	17333	16274	13341	16186	34164	27632	60540	0	22637	32518	40224	42680	28146	43177	43393	5345	25687	43044	28165	35361	22434	34304	34444	14561	17442	41207	53493	47114	112758	51254	48553	73593	25287	46623	6056	41739	32847	15565	13473	11965	45120	33142	34909	0	66992	13986	5449	42626	18859	Phytochemical	0.16666667	1.0833334	0.083333336
8	C12 H13 O2 N1	204.1019	204.10219	-0.024599573	204.1019	18015	24169	16889	21501	14296	10330	17387	21826	14755	16401	13882	14300	11166	10257	15221	25187	27582	18323	24625	22312	22589	29314	13999	22370	17938	14646	19171	21363	18347	17772	18662	18025	24726	18401	24624	16676	28935	15477	35369	20409	25048	15045	3892	3548	5110	19216	19997	4204	23143	17441	18546	21830	17319	4048	16327	10150	13644	27777	11460	21266	22529	13877	14957	14349	8528	14874	14092	28629	13199	13404	18844	18784	18400	13274	17903	20919	3793	13090	22140	17868	20208	16767	17125	15696	11634	11498	25020	18805	20717	40999	18531	18626	38843	21865	26058	4456	18649	20096	12285	8974	9462	23295	17506	19365	7819	23564	12235	3720	18162	13186	Phytochemical	0.16666667	1.0833334	0.083333336
10	C12 H13 O2 N1	204.1019	204.10217	-0.017040672	204.1019	31860	30432	24016	21436	19324	31888	22703	24727	13510	38974	25332	21015	18589	15347	20930	38025	34902	35573	31017	49746	48682	40374	19914	28929	19294	28900	33256	30997	29533	24231	25619	28141	38921	20703	44737	24231	40615	16220	39461	27852	49549	19663	5631	4840	5638	25091	28382	5965	25254	22329	28970	34789	19079	5271	18020	10815	11455	36960	18368	27750	30947	18438	15506	16152	11229	24831	18213	41563	24101	25915	25170	20118	19736	21981	29220	27475	4910	22941	25487	26095	23505	22207	22322	26327	15914	16074	24599	23350	24704	57007	31830	26162	54962	34957	51238	5250	27629	30548	12409	13370	12244	32537	19333	27476	0	33464	15776	5208	24003	22279	Phytochemical	0.16666667	1.0833334	0.083333336
4	C11 H13 O1 N3	204.11314	204.11346	-0.048905313	204.11313	3410	3515	4315	2802	1111	902	2303	2216	783	3931	6117	1578	0	0	2153	4225	4919	1201	1126	3027	3150	2391	1953	5716	5267	1293	2523	16442	2238	1789	2101	2247	3305	2369	4491	2244	3396	2191	7019	1356	1412	1112	0	0	0	2342	3513	0	3237	2212	3930	2850	1284	0	434	0	1269	4314	0	0	3945	1412	457	687	0	1478	1008	6224	0	0	0	2855	2305	1810	4745	0	0	1149	4839	7177	3377	645	305	1842	0	1242	5963	2729	1306	40526	6331	0	62029	2089	2832	0	2752	3482	836	507	0	2304	1770	1074	0	10750	490	0	6428	610	Unclassified	0.09090909	1.1818181	0.27272728
2	C11 H13 O1 N3	204.11314	204.11348	-0.040093996	204.11313	7058	7554	6769	6496	1836	0	4502	9482	1550	20233	15965	3751	849	1526	4844	10222	11130	2993	4842	11586	10284	9304	4687	12735	8694	2683	5379	43463	7215	5708	6541	7002	6960	6863	13042	5922	7280	5844	13407	7927	6296	0	0	0	0	5594	6585	0	9565	6756	8942	9075	2557	0	2014	696	2126	9059	554	1808	9487	3036	1521	950	0	2249	4835	14732	1439	3902	3398	7346	5290	4503	13755	6655	0	4463	7366	18964	7941	2561	1672	5652	1224	1879	8431	6253	4160	28281	8856	9023	23912	6494	7463	0	7500	6253	1475	0	701	6504	3162	6575	2973	12895	865	0	8338	1222	Unclassified	0.09090909	1.1818181	0.27272728
6	C11 H13 O1 N3	204.11314	204.1134	7.15548E-4	204.11314	1420	1246	1857	0	0	813	680	1365	0	2359	3862	0	0	399	978	3094	2202	0	0	2715	2205	2423	813	3596	1624	0	963	3739	1119	1119	951	1593	1056	2031	2171	1610	1579	1320	1882	0	947	1101	0	0	0	0	0	0	1718	1099	1427	1719	585	0	0	0	0	1938	0	907	2416	0	0	0	0	0	1022	3048	0	0	0	714	2421	1012	952	1600	0	689	1263	0	1393	308	309	1119	0	0	0	977	1136	43116	0	0	7711	909	1650	0	1350	783	1307	0	450	1476	0	0	0	3000	0	0	1371	0	Unclassified	0.09090909	1.1818181	0.27272728
6	C9 H17 O4 N1	204.12303	204.12332	-0.06628334	204.12302	79261	81970	75198	80614	43451	47254	179878	57345	27407	67463	77422	31212	48652	624273	41627	67883	65635	55168	52244	83953	55114	47999	47446	49922	22372	245162	187002	223514	56913	55064	48687	70332	91157	60518	41080	69007	78268	30256	97661	16267	107890	61187	103011	1249	1842	110765	82485	1597	75631	65876	80946	77086	37823	16472	32962	57260	28148	54978	30825	135289	165248	55988	260210	22806	311537	77209	188359	67326	126696	182983	143184	52081	60844	93662	36457	71169	1034	24197	19758	243098	17793	72360	235323	1018502	24621	41823	34782	59206	68262	62807	120946	91034	97802	53850	57570	23611	68533	92614	45891	12339	24663	68005	28010	61256	37371	56970	23753	1748	20261	130198	Lipid	0.44444445	1.8888888	0.11111111
2	C9 H17 O4 N1	204.12303	204.12337	-0.054854926	204.12302	42533	42414	41201	41500	57488	69364	20287	59838	31396	19533	11956	19742	72995	75991	25545	40432	27609	85788	77209	16378	13389	30420	23372	54439	23254	527	38087	14746	64878	56853	63488	75568	85217	66093	22928	60113	73461	18068	26850	8638	3275	41097	2039	800	1929	18069	4723	729	67741	46883	39761	41301	59305	1891	34506	15151	16838	79662	4588	4553	49871	1752	79014	28898	73430	83837	66778	28268	1739	8846	2094	51001	64899	68927	21440	58860	507	25415	10982	4334	12259	3973	3363	1808	19270	67270	12107	52200	102239	13796	25154	37534	44583	3349	7735	1363	44368	41949	20138	13296	15795	56703	21028	18696	4205	62207	18458	726	11095	119015	Lipid	0.44444445	1.8888888	0.11111111
10	C9 H17 O4 N1	204.12303	204.1233	0.04004963	204.12305	18967	15654	14637	14747	15952	23728	51520	31191	5953	3767	7332	12107	24815	267061	21596	20568	16954	20127	16896	6508	3931	7983	24408	15483	16293	31004	24600	24834	43868	36661	25965	28849	21743	41566	7472	37737	14830	16070	13899	2624	4952	25981	43808	4139	3814	10080	3730	3170	26892	27645	15549	15885	13399	20102	6485	13959	12482	24417	2654	7263	22239	2784	25219	5138	147780	52236	54399	12884	7802	9149	4136	32003	34153	42329	12656	33949	2615	11787	10194	55708	7811	9919	101305	106575	5144	13455	21605	16174	17421	8953	14013	10551	14869	7577	5491	12254	16953	28006	40801	5927	9117	24222	11817	6616	0	18582	8693	3048	9161	10933	Lipid	0.44444445	1.8888888	0.11111111
4	C9 H17 O4 N1	204.12303	204.12335	-0.097644314	204.12302	23775	27524	22810	23271	22653	16403	19056	35014	12673	8623	8697	18118	29044	11980	16884	41661	39172	49901	30308	9685	6994	20579	14139	34522	14419	1488	22054	8782	28962	33724	87252	33789	45095	32882	13040	41838	45886	17486	39329	5172	4145	23215	2626	1085	864	11579	7751	1010	41837	29271	26661	18752	26274	945	13493	9271	12535	47504	5610	11293	43572	2677	15553	16359	13482	30995	24824	37973	1657	3516	0	32857	32959	44400	19924	39777	826	18647	16652	5968	15325	6042	11137	8073	8059	13493	19648	26150	30870	28743	11837	10366	35992	6321	8513	1442	23504	24199	21109	11147	13774	36289	16548	11484	7472	29654	15113	954	16496	27392	Lipid	0.44444445	1.8888888	0.11111111
8	C10 H13 N5	204.12437	204.12463	-0.20392591	204.12433	0	0	0	0	2432	17882	0	6697	1685	0	0	2697	0	2221	2159	25948	5920	1570	0	0	0	0	1846	13706	7286	0	668	0	20456	7501	7671	1411	0	0	0	21855	1870	770	1209	0	0	4332	0	0	0	0	0	0	2191	8894	0	0	1014	0	0	0	647	1687	0	0	11371	0	0	0	1884	1515	8323	0	0	0	0	0	0	22194	981	1037	0	2089	1165	2830	0	0	0	0	0	0	0	0	0	3675	0	0	13790	0	0	0	0	1340	0	0	0	6107	0	0	0	18293	0	0	0	929	Unclassified	0.0	1.3	0.5
10	C10 H13 N5	204.12437	204.12457	-0.06585656	204.12436	8323	4123	7115	5113	1369	5811	0	0	5409	0	1703	0	0	11479	0	0	0	16167	10030	0	0	0	1838	0	0	0	3618	0	0	3351	0	22792	17405	0	0	1032	20445	1563	7702	0	0	2816	955	0	0	0	0	0	6233	0	5936	5427	6868	0	3398	0	2195	26312	0	0	0	0	0	2765	5652	1264	7618	24895	0	0	0	0	1159	1126	4659	21621	0	2719	1946	0	2225	0	0	0	0	0	954	871	7134	16764	0	0	0	0	0	0	5738	4872	2648	0	0	15547	3747	0	0	14075	0	0	2624	2476	Unclassified	0.0	1.3	0.5
10	C13 H17 O1 N1	204.13829	204.13857	-0.026934113	204.13829	2749	3646	1751	2394	1354	70141	2173	4056	0	4766	3714	1681	0	0	999	3846	1943	2505	4820	6588	6273	1789	1562	1876	978	1288	2632	2869	1284	1054	0	2469	2727	2639	4423	1493	2486	0	2354	1828	1616	2873	0	0	685	0	1673	0	1787	1048	1812	2218	972	0	0	0	0	2450	0	0	0	0	0	0	0	1030	978	3117	0	0	0	2176	2327	2477	2736	1771	0	793	1094	0	1214	0	1073	1699	0	700	1187	0	1854	2708	0	0	2611	7496	6040	0	1876	1851	0	0	0	2375	1564	0	0	4079	0	0	895	0	Phytochemical	0.07692308	1.3076923	0.07692308
14	C13 H17 O1 N1	204.13829	204.13853	0.02848548	204.13829	0	1544	0	0	1272	40689	0	1861	0	0	2362	1921	0	0	0	2438	1868	0	0	2453	3432	0	0	0	1187	0	1158	0	2531	1835	2400	0	3008	1848	3357	0	3892	1116	2597	1595	0	5257	0	0	518	1614	0	0	2269	1294	2501	2048	0	1195	0	0	0	3125	0	0	0	0	0	0	701	0	1361	3718	0	0	3234	1896	1772	1268	3481	2215	225	0	1380	0	1269	0	1636	1902	0	0	1213	0	1614	4571	2696	2553	4106	3851	2273	0	0	0	0	0	0	1847	1382	0	0	4770	0	0	2214	0	Phytochemical	0.07692308	1.3076923	0.07692308
8	C13 H17 O1 N1	204.13829	204.13858	0.010421325	204.13829	4982	6721	6843	6783	2078	118351	2534	4301	1896	16732	10136	5377	1093	967	2623	4566	5910	1802	3338	20764	19939	3067	2313	6283	2806	5410	5093	10611	5382	5876	4127	6571	7210	6635	19554	5836	8467	2962	5646	5669	2215	5895	518	280	421	2813	4095	0	8626	4772	3962	6247	1834	0	0	700	1771	5458	0	0	4611	1371	940	1872	0	2086	2907	7449	3607	5652	7277	7370	7492	6660	8651	5497	0	4643	3676	6210	2439	919	1194	4177	0	0	2385	2291	2888	14093	0	0	10480	13849	6932	0	6697	5964	1306	633	0	7384	4081	2155	0	9858	0	0	3327	0	Phytochemical	0.07692308	1.3076923	0.07692308
2	C13 H17 O1 N1	204.13829	204.13863	-0.08097417	204.13828	159130	180912	159994	150780	7820	6765667	104006	154084	5127	111977	46034	60213	4599	8330	60979	279995	132114	26328	37277	113241	96738	80940	49092	207835	106728	17279	162083	48576	131881	136136	204758	175224	201876	135061	109869	146678	177070	56100	155913	48282	26248	591656	518	321	1093	36630	24869	560	206655	122631	151997	166296	35034	601	8388	1301	11784	219044	906	2293	227917	14687	6454	8734	11695	32354	143933	189353	10565	29137	22455	137109	128263	151709	222705	133628	316	68015	82216	24373	60742	5112	9015	36186	5372	29542	85211	95252	94817	279135	69567	14789	299578	59201	101686	669	152495	160081	4770	1622	3349	190907	49082	88751	8326	183425	2841	439	87818	6846	Phytochemical	0.07692308	1.3076923	0.07692308
16	C13 H17 O1 N1	204.13829	204.13857	-0.002173242	204.13829	0	0	0	0	0	31784	0	2441	0	1803	1389	1247	0	0	0	2370	2122	0	0	0	0	1870	0	0	0	1485	1458	0	2001	0	1610	0	0	1319	0	1511	0	0	3481	2042	3091	1483	340	0	641	1073	1732	365	0	1305	0	0	0	253	0	0	0	1973	0	2230	0	0	0	0	0	0	0	2528	0	0	0	0	0	1819	1998	1322	266	0	2597	0	0	1271	0	1475	0	0	1752	1232	1116	0	0	0	0	4572	0	0	2436	0	0	0	0	2761	1377	0	0	0	0	397	0	0	Phytochemical	0.07692308	1.3076923	0.07692308
4	C13 H17 O1 N1	204.13829	204.13863	-0.008505119	204.13829	18759	17772	16893	18486	5964	412652	7046	10752	3081	50270	22426	8220	2619	4620	5589	17526	11064	14771	14964	43003	52806	14606	5981	17982	10845	21466	8742	35516	9267	7331	10604	15005	15074	12657	64548	11768	13110	6078	11920	20038	9244	23354	0	292	617	12266	15455	378	16974	10878	18416	16233	6392	263	2856	1413	2578	21880	0	1772	15438	7154	6301	4444	2515	7746	8246	20551	13089	24009	26830	12128	11031	11113	17432	11941	0	6135	14676	9902	7541	2766	1437	24494	2195	2180	20656	9856	8762	43688	23704	2879	32412	38022	28733	429	17931	17280	2565	934	1557	13711	5316	6894	8711	26875	1921	370	13679	4619	Phytochemical	0.07692308	1.3076923	0.07692308
22	C13 H17 O1 N1	204.13829	204.13853	0.003892033	204.13829	3460	2151	1549	1817	0	22313	0	1628	0	4954	9054	1419	0	0	0	1725	1939	0	0	4593	4921	3093	0	5236	0	0	1441	8437	0	3092	1387	0	2441	2705	0	2964	1564	0	3655	7942	9539	3728	0	0	607	0	6730	0	1416	4121	1807	2338	0	1104	0	0	0	2841	1724	7840	2052	7190	0	0	0	0	1630	3316	2035	1754	2363	2168	3699	4913	1897	4293	0	1742	2682	6756	0	1892	3736	4736	0	0	1359	0	1001	2934	2701	5261	2024	11708	4812	0	1658	2681	0	0	0	2744	1103	6123	2949	3956	1033	0	1844	0	Phytochemical	0.07692308	1.3076923	0.07692308
12	C13 H17 O1 N1	204.13829	204.13855	-0.01054496	204.13829	2438	2908	2310	3192	0	45407	0	2299	0	2443	2159	2077	0	0	0	5352	2115	0	0	3086	2645	5821	0	3728	1841	865	1975	0	1743	2307	1102	2891	2299	3022	2319	1705	1580	0	4989	0	0	3380	0	0	562	2312	5240	0	3607	2371	1837	3721	1122	228	0	0	0	4522	0	0	0	0	0	0	754	0	1163	0	0	0	0	2635	1735	2725	2482	3556	306	1606	2028	0	1334	1406	0	986	0	0	2093	1310	0	6803	7434	0	6104	6343	6860	0	2875	2066	0	0	0	3374	1216	0	0	4042	0	0	1922	0	Phytochemical	0.07692308	1.3076923	0.07692308
20	C13 H17 O1 N1	204.13829	204.1385	-0.04719505	204.13828	6902	8957	8282	4431	2968	23680	0	4941	0	34754	40153	1715	0	3573	1585	4334	3346	0	2493	32672	30251	15768	0	3274	1913	19658	2329	35717	4649	7546	7906	5471	3221	4513	24882	4043	2957	1157	4462	13866	22139	3545	616	0	649	11778	17223	543	5335	2461	5800	3949	2827	733	0	0	1071	6496	4381	9962	3939	4567	0	0	0	0	2076	2812	15788	16744	18444	3795	3310	2429	3224	5049	561	0	2031	23458	1274	10553	6987	12163	0	1676	1898	2664	2666	8487	21041	15949	4211	32033	23095	737	8040	4961	0	0	0	4449	2360	10270	11744	6880	2530	0	3074	0	Phytochemical	0.07692308	1.3076923	0.07692308
6	C13 H17 O1 N1	204.13829	204.1386	-0.03631695	204.13829	7343	7078	7326	6095	1553	211645	3438	6220	1332	22681	12475	3502	1680	2416	3671	7571	6065	2247	2252	23440	25062	4140	5479	9810	7006	9188	6252	15818	6025	4803	6832	6779	7091	7599	21966	7730	9591	4910	7511	7291	2133	15077	0	283	514	4853	7086	407	5813	5607	7897	8600	2998	315	799	1203	1883	9800	0	545	10933	3073	1316	1547	1371	2961	3341	7005	5867	13114	12184	7618	8430	9825	5492	5804	265	2908	7779	3736	4748	882	1196	6436	555	1841	7294	3238	3515	19652	10897	952	17589	15832	12942	0	7560	6622	806	818	962	8789	3151	2543	0	15425	529	393	4464	2332	Phytochemical	0.07692308	1.3076923	0.07692308
4	C10 H21 O1 N1 S1	204.14166	204.14195	-0.020037241	204.14166	2265	4003	2700	3046	0	0	3444	5023	0	0	0	2865	0	0	2792	9774	13137	0	0	1645	1846	4673	3433	14315	4022	0	3839	0	3919	2218	3735	3090	8619	0	0	2269	4329	3408	38561	0	0	0	0	0	0	1998	0	0	7248	2040	2231	2591	0	0	0	0	0	17565	0	0	9369	0	0	0	0	0	0	29312	0	0	0	0	0	722	5566	2865	0	3165	2427	0	6210	0	0	0	0	396	926	0	855	11795	0	0	17066	0	0	0	2653	2141	0	0	0	6260	2234	0	0	23382	0	0	6281	0	Organosulfur	0.1	2.1	0.1
2	C10 H21 O3 N1	204.15942	204.15974	-0.07860152	204.15941	10417	9521	9190	9269	18854	15336	9849	9467	9735	5313	3820	4040	47113	26458	6579	14229	6281	20210	13151	5045	3860	5109	4296	8483	8729	347	6072	20860	18484	11237	15485	12817	23637	11416	5566	12802	15777	5021	8705	2555	1933	7677	199	0	0	5343	3107	0	14452	6169	7835	9123	13001	0	9786	14575	4356	13897	1585	1375	10010	727	12176	6814	4105	27329	14540	10536	0	1480	473	9096	15858	15006	5062	15486	0	5947	4981	22040	3296	3801	1895	2384	9745	6423	6204	6613	9485	7654	16292	10316	8560	2385	5462	0	8845	9193	8607	11013	10114	11708	4325	5329	4813	10520	11312	0	3956	17114	Lipid	0.3	2.1	0.1
12	C10 H21 O3 N1	204.15942	204.15967	-0.07579764	204.15941	0	0	0	0	0	975	3981	0	0	0	0	0	0	25321	0	0	1887	0	0	0	0	0	0	0	0	0	0	0	1841	0	0	0	0	0	0	0	0	0	0	0	0	1251	931	0	0	0	0	0	0	0	0	0	0	0	0	1118	0	0	0	0	0	0	0	0	14226	0	5553	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1594	3284	21198	0	67653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	887	0	1868	0	Lipid	0.3	2.1	0.1
6	C10 H21 O3 N1	204.15942	204.15971	0.017833663	204.15942	1576	2219	1222	1615	1873	953	0	0	0	7150	10858	1076	833	1402	8453	0	0	0	1132	935	899	0	0	0	1155	0	4675	27171	1692	1251	1343	4342	5153	11125	1591	1272	939	3132	0	0	0	2058	0	0	0	0	0	0	4150	919	1584	1939	764	0	0	818	0	2996	1379	0	964	0	1230	0	0	2597	2136	0	0	0	0	994	1785	1524	0	1619	0	3580	0	13782	0	0	0	0	0	0	0	0	1003	0	3721	1899	1083	4136	1317	0	1472	1717	444	631	0	8304	1616	4322	0	0	777	0	0	3230	Lipid	0.3	2.1	0.1
4	C10 H21 O3 N1	204.15942	204.15974	-0.007555936	204.15942	6244	6216	6808	6465	11304	4539	4032	6795	19130	2478	2212	2782	14584	5240	8024	5845	5533	6998	6234	1172	1689	4710	4452	5015	10914	0	3880	7549	10306	23366	18322	8483	12086	7063	3851	8199	10568	6663	7579	0	446	4855	0	0	0	4502	0	0	11652	5881	6287	5792	6612	963	8382	3310	1661	11128	0	0	7910	0	10250	4388	6876	9340	4531	6407	0	1306	0	8770	17000	20917	3004	34361	0	4561	2488	19425	3501	2297	0	401	3532	6798	3619	3793	4748	1995	8897	4218	11724	2053	2240	0	7151	6850	3408	4085	4100	7744	4103	2445	0	7151	3317	0	1457	17529	Lipid	0.3	2.1	0.1
6	C14 H21 N1	204.17468	204.17497	0.025705239	204.17468	8486	8148	7857	5780	502	1042	4057	14197	607	6107	4570	5961	1252	1306	6269	23388	9138	1617	2184	4650	4933	794	5536	29113	10353	726	5043	4801	9150	9279	9310	10891	14266	11804	5084	8802	13080	6300	10304	2289	0	2110	0	0	0	3494	0	0	15701	12953	8918	6307	1681	0	16565	0	1246	17939	0	0	20436	0	1135	0	1092	5195	2694	18862	0	0	0	11141	9776	10793	9440	12356	0	4764	5444	0	8454	0	0	944	0	0	6712	4112	3395	32460	0	0	39880	964	4048	0	8353	7107	0	0	0	11989	5983	1592	0	13625	0	0	7412	0	Lipid	0.0	1.5	0.071428575
4	C11 H25 O2 N1	204.1958	204.19615	-0.019657498	204.1958	2615	2322	2538	2259	0	308	9049	1566	0	0	8684	1124	0	26737	313	875	2286	0	0	4105	0	3769	1231	557	0	0	3509	55047	941	0	0	656	0	0	0	0	0	868	0	0	1344	483	0	0	0	0	5488	0	1150	572	1311	2162	0	0	0	0	0	2966	0	0	18085	3275	2614	0	10951	0	1787	1068	37807	2958	0	267	569	0	1003	480	0	295	0	86037	0	0	0	435	0	477	0	0	0	1642	0	0	0	6886	0	0	1540	2377	0	0	0	0	670	1080	0	0	0	0	0	369	Lipid	0.18181819	2.2727273	0.09090909
10	C11 H8 O4	205.04953	205.0498	0.011006233	205.04953	91600	97207	74815	79031	165937	105869	62180	92566	161817	47466	52136	73961	188942	109499	83336	109616	94293	252614	268108	46621	50623	73764	99982	57253	57745	21074	56941	37027	101355	96770	67848	106023	127275	111567	68328	112399	114499	73741	105948	35867	41250	113481	26508	22857	32839	38834	30217	33813	96587	67360	89655	98364	122950	24349	162486	122684	74606	135073	32410	33122	110475	24809	170669	131357	70816	189888	116875	114906	38618	30587	30811	82899	101748	101980	79759	111455	25781	67636	82100	48405	85947	41604	27942	20210	139824	97578	114355	112626	155910	83391	54704	40464	69457	45397	41805	35427	82993	89684	121998	140689	144595	119213	83342	39503	24570	67972	108292	26306	58665	224511	Phytochemical	0.36363637	0.72727275	0.0
14	C11 H8 O4	205.04953	205.0498	-8.66374E-4	205.04953	92718	95789	71500	89912	143225	129602	62677	85237	146215	49577	55587	60280	202592	138179	91663	104675	69689	208753	185699	58144	48929	78453	93395	78967	75877	24811	71093	54050	86223	80942	75266	89199	108706	77161	73381	78766	92424	74977	66457	48045	29523	105281	29367	22368	26440	47169	34138	33332	88333	59738	76153	81172	129039	22658	146537	96157	92153	127041	28386	25218	121134	26655	204226	124006	78944	202230	119025	68007	22596	39904	36546	65839	82681	81219	50697	90873	20527	59605	90817	62408	87160	44416	34582	25678	117060	81509	129179	103487	139638	97006	78327	49781	83413	40478	43237	39212	88498	83935	103198	126869	116105	86021	77293	42071	26359	82312	81107	26132	78958	156868	Phytochemical	0.36363637	0.72727275	0.0
16	C11 H8 O4	205.04953	205.04979	0.00502411	205.04953	73030	83585	65603	71313	123039	112218	67746	69377	109277	38676	36691	61704	141379	118785	84561	99857	87083	186629	153506	45695	40990	50700	96185	86681	75028	26864	69944	35145	62586	64101	66818	63326	107412	61483	51554	67044	112172	68175	77708	32378	25021	90789	24405	21464	30200	43223	26240	33197	88110	53339	73013	76335	115728	22347	86912	69398	71206	118254	28629	27016	99528	22792	145319	87341	63303	177848	106624	71739	23545	35334	31268	60842	60423	44791	58301	77920	21772	53216	99914	51656	71057	38499	35484	21297	103220	82944	123168	105533	117934	103480	67102	55863	115061	31832	35788	36030	72294	77145	80519	84098	86034	93984	58359	30738	21181	88537	69119	26949	81008	153972	Phytochemical	0.36363637	0.72727275	0.0
12	C11 H8 O4	205.04953	205.0498	0.002569843	205.04953	103604	128757	107905	112911	216338	166347	87733	78569	184087	62066	63364	66648	165862	168242	82387	140339	103509	264236	276931	55806	57101	86912	98459	86915	63468	21039	100590	58410	103879	89322	76709	119019	122653	115636	86712	88559	99159	79473	106694	44685	44957	124567	22833	22881	30632	48426	34502	37040	113610	73809	114054	120092	162343	22321	184362	119479	103895	173621	37474	32988	160095	23353	299108	144327	89648	276319	153051	95996	32244	42358	40555	84303	102945	88494	93708	129241	19109	74447	95820	75706	100150	57009	32603	22553	157048	117756	131560	146321	167761	112222	73685	64418	87014	48472	60707	36234	115099	118675	140445	127101	146020	116194	88851	41509	31087	98277	127632	31277	70371	296923	Phytochemical	0.36363637	0.72727275	0.0
0	C5 H8 O5 N4	205.05675	205.05714	0.4146849	205.05682	11160	10122	8841	7541	2360	0	0	5191	0	0	0	4255	0	0	1850	0	0	1497	1519	0	0	2156	1157	10760	0	0	0	0	0	11559	1411	10418	0	14676	0	15417	10315	0	0	0	0	1565	0	0	0	2327	0	0	18490	13832	6613	9348	0	0	0	0	0	6528	0	0	8233	0	0	0	0	0	0	0	0	0	0	24311	16996	18732	0	11217	0	1500	0	0	0	0	0	0	0	0	0	7585	1581	0	44938	11396	6784	0	0	0	7286	8967	0	0	0	8035	4881	0	0	4870	0	0	0	0	Unclassified	1.0	1.6	0.8
12	C10 H8 O3 N2	205.06078	205.06102	-0.03525371	205.06076	66393	75621	63803	68087	29365	33996	93859	98627	14157	9514	10082	100214	0	28079	43033	209382	170419	42111	72214	5353	6407	52495	54609	125573	39128	0	78221	0	119743	119886	114128	163874	171618	209990	14639	132181	117326	67707	289901	1517	0	65729	2568	2291	1775	20089	0	2241	164897	115531	71434	73573	42886	2397	13681	4492	21892	182641	0	0	186996	0	20063	13153	19146	41434	62299	268665	0	6750	6617	116737	154570	111020	250868	158886	1104	59650	68304	17022	56622	7107	5088	4154	14519	20255	109614	75764	95864	318543	16880	9860	150777	4241	5195	2805	69443	80457	12791	7546	8880	150175	67346	3784	0	155943	7387	2296	78889	32015	Unclassified	0.3	0.8	0.2
10	C10 H8 O3 N2	205.06078	205.06104	0.026575493	205.06078	16959	14946	13719	13037	18396	15509	14287	15826	11923	6013	5899	10609	15578	14713	12310	24708	22062	28876	25166	4265	5524	19774	13242	27963	17761	0	15480	4580	18589	14860	17814	19950	35175	18863	9241	13624	40503	13792	25720	2581	4538	15172	3060	1628	2056	6712	4238	2230	23694	13168	18298	16938	21704	2461	14016	7028	7612	32459	3085	4996	28734	1555	20182	13262	9989	23284	18283	29908	0	1345	2125	16093	17127	8523	19061	14457	1431	12464	18083	6119	17272	4832	4805	1429	12251	10116	18738	23954	23691	40913	13216	11662	40565	4918	5112	2565	14189	14058	7670	9962	7375	23553	10751	6093	0	28968	8233	1952	15878	29174	Unclassified	0.3	0.8	0.2
8	C10 H8 O3 N2	205.06078	205.06105	0.017475741	205.06078	9628	14463	9146	12568	15521	12094	12562	9178	12866	4120	5900	9724	12406	9880	8589	18132	18228	22311	23325	3592	4583	17827	11329	18191	11774	1372	12919	6247	9805	8602	10999	12088	18374	11248	8081	7553	20645	10738	20710	2859	3160	13460	1148	1354	1846	4694	2560	1550	15183	8777	11126	11464	15202	1869	14972	5982	9042	16544	3920	3840	17410	2271	20244	15700	9145	18238	11560	20245	0	2520	2462	12459	8170	4570	7963	7476	1158	6739	20243	2665	13412	5037	4141	1737	10582	9793	15205	18702	16926	36773	13883	11165	35287	3377	3395	1806	10752	10039	8563	12272	9708	16508	9371	5009	0	20355	7153	1375	13492	26327	Unclassified	0.3	0.8	0.2
14	C10 H8 O3 N2	205.06078	205.061	0.024432259	205.06078	8872	11376	8725	8593	5703	7760	9178	16233	5123	2745	1857	7975	4866	3634	8762	21885	9736	9040	8720	0	0	10014	6490	11317	9492	0	8609	0	12003	11012	12358	11644	17617	13032	0	11074	12954	5485	15014	2640	0	10341	0	1845	2115	3204	0	1872	12518	8640	6399	5707	6643	1764	2793	1875	6739	21623	0	0	0	0	4306	3334	4398	7492	8555	17369	0	1860	0	10916	8726	4655	11476	10327	1109	6736	11405	0	11438	1934	3284	982	2779	2989	19726	14697	11893	43616	34955	21680	28700	2441	4439	2039	10280	8189	3007	3217	2505	12207	7123	0	0	21354	1605	1811	14322	5335	Unclassified	0.3	0.8	0.2
6	C10 H8 O3 N2	205.06078	205.06108	0.027479205	205.06078	10385	12612	9673	10737	24087	10218	9649	12264	16392	7159	5404	7074	20668	12828	9962	13894	13968	38853	25391	2835	6130	11728	10840	13814	7357	1171	8184	3759	9410	8435	10939	9048	16696	9812	7722	6312	15863	9432	17438	2585	4581	12029	1504	1315	1338	5690	3300	1406	11164	8710	11482	12417	18779	1554	18161	9577	8614	13922	3676	4420	13546	1996	30717	13239	6486	22545	13016	15848	1730	2263	2134	8152	7052	4557	6644	7504	1018	7147	10602	0	10328	3633	4388	1869	13140	11244	11867	18659	15339	28771	8271	8132	27268	3902	5524	1595	11000	10485	9794	12760	16278	14783	9933	5324	0	16679	11753	1176	10386	37414	Unclassified	0.3	0.8	0.2
0	C12 H12 O1 S1	205.06816	205.06859	0.22451831	205.0682	222799	221010	208312	189789	106546	11538	132311	124160	17709	597463	405021	152660	16039	53779	120963	10406	82222	103737	82286	288535	58988	213584	54591	156660	17337	78367	52967	59059	13092	152435	70628	197884	14265	138372	91802	258487	244807	51924	23194	268037	334286	150751	31052	49510	33477	251965	915335	60729	251535	199125	178272	224812	82109	62296	6921	3571	78141	264588	23773	316268	118451	53055	12968	57380	32025	40356	54184	108485	16623	122087	809390	170422	209632	187988	0	319132	890	76647	30636	8537	44490	56890	104219	238859	4537	66887	21269	351382	126263	153318	200868	471302	268459	70878	29038	153641	184877	225243	21746	5403	14485	211576	153376	330152	77736	208708	6871	78537	44112	27448	Organosulfur	0.083333336	1.0	0.0
2	C8 H12 O6	205.07066	205.07101	0.066000216	205.07068	3880	2913	2528	4496	8115	0	2131	3651	3634	1106	1326	2273	26379	5273	3518	1106	4459	10610	7126	1018	1167	1521	2624	3134	2256	564	0	0	5699	2809	3451	4164	4862	25112	1581	3922	3934	6763	3290	626	0	0	1195	786	947	1146	509	747	3588	1735	3992	3731	4379	1567	5386	5484	1997	3304	1311	792	2585	391	12744	3270	2418	15398	4222	6947	0	960	1621	32923	8892	4328	432	3248	854	2674	1901	0	2872	0	1068	737	4458	2980	3255	10462	4316	0	9618	5276	2816	417	476	1454	2904	4974	3621	4258	6134	2655	2472	1245	652	2887	3722	713	2671	11901	Unclassified	0.75	1.5	0.0
0	C7 H12 O5 N2	205.0819	205.08224	-0.15522496	205.08186	4280	5980	5811	6309	18608	58771	0	19460	7159	1783	0	2825	28272	33666	3275	0	3285	25789	23046	0	5952	12574	9545	9300	7696	0	0	2846	54530	2174	34126	14291	75881	13318	11269	9977	12455	3573	5491	0	0	19070	2261	0	0	3507	0	0	13624	4987	5497	5869	26105	1514	8227	2507	1433	29415	566	0	3092	0	49113	4934	4002	21124	55034	4320	0	3638	0	11175	14911	6226	0	11396	0	5245	4880	6943	3541	0	0	0	3244	2589	7874	12211	23891	6558	66404	13223	7910	1435	0	583	6209	5335	2263	1216	2156	7903	0	0	0	25483	2867	0	3344	55614	Peptide	0.71428573	1.7142857	0.2857143
8	C10 H13 O3 Na1	205.08351	205.08374	0.32083753	205.08359	0	1089	0	0	0	696	2324	0	0	0	0	943	0	3628	718	0	851	0	0	0	0	0	0	0	0	0	2882	0	0	0	0	1334	0	1693	0	0	1318	0	0	0	0	0	814	0	0	0	0	0	0	0	0	0	922	0	0	0	605	0	0	698	0	0	0	0	0	1579	2289	1117	0	0	0	0	851	914	32722	0	0	0	0	0	717	964	2570	12287	0	0	0	0	779	0	0	0	0	0	0	451	0	0	0	0	0	0	727	0	0	0	0	0	1293	0	Phytochemical	0.3	1.3	0.0
10	C10 H13 O3 Na1	205.08351	205.08368	0.39545655	205.0836	0	0	0	1269	1257	1176	3535	0	0	0	0	0	0	19129	0	0	0	0	0	0	0	0	0	0	1055	2305	4357	0	0	0	0	1310	0	2603	0	0	1209	830	0	0	0	1052	1801	0	0	0	0	0	0	0	0	0	651	0	0	0	1019	0	0	0	0	0	0	0	7503	0	11150	0	0	0	0	1602	1936	0	27412	1339	0	0	0	0	0	0	3566	49255	0	0	0	1344	939	0	0	0	0	0	0	948	0	0	1761	0	0	0	923	0	0	1276	0	0	900	0	Phytochemical	0.3	1.3	0.0
10	C12 H12 O3	205.08592	205.08618	-0.0379413	205.0859	500752	468715	393678	396455	511034	393089	397362	447926	543965	387781	306187	342375	549439	351226	355921	501734	525591	716284	709239	464061	498567	389852	363847	370520	309179	261549	406988	262904	513999	444890	400404	502264	927258	413548	473942	458992	718372	346817	610319	372325	384798	416472	95950	77182	89657	313766	294316	90114	498878	339424	456187	485581	480701	70569	656868	432859	280991	610185	286298	326455	529004	214876	477803	487421	273102	577543	414659	592645	286366	328717	357383	326215	382779	398499	563247	462857	74152	288779	398730	236294	365300	307590	376026	272519	516880	387492	477421	375142	465196	462004	388283	341871	394690	300023	379209	92295	426127	486009	447718	536729	529134	969546	370249	396018	201592	351355	448628	79674	304366	578430	Phytochemical	0.25	1.0	0.0
16	C12 H12 O3	205.08592	205.08617	-0.04160771	205.0859	459391	518891	428552	456710	629524	547663	458281	492973	566021	408601	280496	348026	685700	509505	491142	575188	507647	852779	829624	492402	424304	427509	476802	424051	426002	209861	437440	276839	481127	458707	487293	562773	686942	455724	519948	531003	667766	393824	512868	367252	279245	508113	97790	80126	95132	299314	246564	97910	599124	446308	503871	498748	572638	84396	636668	428118	414586	634206	301810	261982	525951	205845	655361	514629	338939	817411	605758	466913	197875	308916	263225	437671	507534	513050	425743	548752	78364	320236	477592	320849	352523	296459	358109	266699	541535	428241	558920	514963	594602	510322	454267	446660	499380	247843	354662	114491	466502	475442	504291	512698	588575	654890	359057	371014	182133	459325	463813	77799	431843	691752	Phytochemical	0.25	1.0	0.0
8	C12 H12 O3	205.08592	205.0862	-0.04949726	205.0859	562072	651534	382538	609352	637592	458954	456472	497520	710208	433308	393264	456116	676084	458308	461414	589432	728064	734292	915214	585418	551186	571478	552471	933624	348964	354000	463316	321352	571558	540622	453598	627232	664094	483432	642794	542614	661400	446410	1570173	463018	544208	567126	143374	137494	176998	455682	464134	171448	650628	431100	530918	574748	606239	133348	856570	588724	493110	565756	364952	442206	555702	324000	733396	673274	399880	648536	486632	1355952	410466	430360	512174	427992	518464	464242	571160	713286	141818	399020	572780	292548	495042	451612	474926	364212	674458	411006	620356	490118	646614	1319644	387254	455476	510374	377676	425682	171864	549948	552446	633438	868792	834912	693162	489026	528376	268944	852216	620090	146162	414294	737976	Phytochemical	0.25	1.0	0.0
14	C12 H12 O3	205.08592	205.08618	-0.038688965	205.0859	524010	576090	481698	554468	659657	537595	501019	497171	652793	429767	342385	394620	708459	482394	459812	553851	557330	885213	765291	581371	611127	518051	445296	389931	436731	275046	490296	347709	573846	523506	457472	660791	982951	487997	641350	558747	722891	413094	605649	462520	345707	516317	91467	74558	75131	351268	327115	96584	575553	391913	495543	458587	586912	68415	808318	512508	449175	688247	364339	328652	559757	255123	731824	643942	365743	739201	565449	518365	253234	365835	352598	424727	489267	536633	498932	568392	65115	401798	476889	336446	416414	338292	439738	365989	589364	386567	600742	469794	607892	574387	530454	460648	555484	301298	392912	108543	516058	522090	523741	645127	648893	829322	453706	489562	221756	431928	476234	84384	412578	662735	Phytochemical	0.25	1.0	0.0
18	C12 H12 O3	205.08592	205.08615	-0.04407209	205.0859	414836	411449	350473	355883	488130	407619	372108	408787	374771	289581	236753	267000	528370	440726	388388	443386	388343	619277	678486	369525	280384	327952	377232	357906	326547	172593	348634	255312	444128	375622	374122	414440	586807	390531	351230	387262	579017	317028	427625	252770	201755	400766	111043	71815	97185	242226	188004	94794	467396	316051	386761	394100	450004	78671	485162	359118	325687	524783	226767	192302	418001	171296	513454	374354	296107	593787	478996	458854	164199	210472	222161	319128	314541	364529	342334	430502	75601	257764	425133	357745	347285	246922	246822	168659	405398	352237	457804	426849	479353	459430	410270	379431	492778	197504	255717	121157	395123	363041	394340	402122	434648	539764	291967	320696	147553	341779	306854	81750	351838	485805	Phytochemical	0.25	1.0	0.0
12	C12 H12 O3	205.08592	205.08618	-0.03793155	205.0859	476626	608970	539985	568601	609489	487202	484461	469856	641309	461247	376753	288390	563076	410096	406582	638375	512521	871637	894844	598708	556789	523603	410165	409597	394571	262807	515976	326856	598805	490632	473449	591341	773327	493941	643352	495163	639768	406311	616424	444235	416845	468064	69891	73661	80933	353712	343840	96358	619314	378299	553635	587308	584114	64277	805130	462476	412397	613019	322074	361730	601114	274080	714011	571006	329887	732045	499448	527686	286057	396194	408000	378129	460539	454692	580102	586041	56928	372595	426913	297223	419150	364546	421244	332497	561557	425816	545280	425763	567505	554252	536856	534654	479746	298214	473651	99266	553853	571059	516695	572848	595122	693291	378846	409532	239516	422320	558119	77334	363728	796191	Phytochemical	0.25	1.0	0.0
8	C9 H16 O3 S1	205.0893	205.08951	-0.19240446	205.08925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35224	0	0	0	0	0	0	0	0	0	0	668	1297	0	0	862	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1002	0	0	0	0	0	0	0	0	0	0	976	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	882	0	0	0	0	0	625	0	Organosulfur	0.33333334	1.7777778	0.0
16	C11 H12 O2 N2	205.09715	205.0974	0.02787778	205.09715	36113	35911	37921	30136	6403	34732	22251	102614	4987	2959	9921	29679	3724	41738	18896	148703	115105	10341	15470	3104	0	23007	25824	103983	19842	0	24146	14189	95592	97711	98178	109557	60056	69671	2506	100545	53462	20333	114113	2922	5193	25044	1123	2037	1921	9727	2784	2175	97617	86028	29628	36021	28855	2225	0	2466	7493	125716	2377	7191	147454	0	5493	2463	7278	13395	20155	120145	0	7257	3390	85405	115877	94643	93134	122724	1714	22821	19227	13413	0	5134	6080	1741	3695	4930	53144	54283	25602	227278	25161	12014	42904	4958	4053	2132	36370	35704	2762	2505	1331	91367	27043	6913	0	108648	3222	2438	30298	5160	Peptide	0.18181819	1.0909091	0.18181819
14	C11 H12 O2 N2	205.09715	205.0974	-0.01962268	205.09715	36408	38521	27838	40602	16053	18836	38526	55768	3757	7749	10585	36547	5356	11217	18886	100691	59448	17568	17251	7221	5720	52074	18919	115236	24696	2710	26047	17832	29974	47738	54026	56460	51771	64449	6463	44175	76561	23059	68433	8476	9177	23188	0	2007	1462	6825	6650	1769	65974	48771	42542	31033	22272	1612	6833	3519	13842	103077	0	10428	72254	1498	5467	8534	9337	16611	16901	107007	0	2375	2784	62251	51940	27112	61200	49709	1122	26640	34356	25889	21834	6672	8156	5475	4988	7738	41492	57268	44113	274737	36170	16432	216029	8106	10054	2174	40070	29097	6292	6123	5164	62338	37660	9596	0	146201	5568	1919	48066	8685	Peptide	0.18181819	1.0909091	0.18181819
10	C11 H12 O2 N2	205.09715	205.09741	-0.058692012	205.09714	29889	30860	26704	27761	22771	17066	25622	38529	15139	22351	21197	28666	8937	11503	26770	63652	50455	26611	24093	21202	22248	37237	29433	72770	32988	9313	35766	25965	32942	33157	27015	37406	51423	38893	23312	27978	48550	26567	68681	15472	26008	22485	1885	2267	1876	19150	14775	2613	50368	30950	28031	30169	23182	2199	12687	7191	10878	58401	11359	24477	67960	10622	10990	14985	13646	18764	21193	68342	11001	10775	14085	33676	22830	22659	41965	28434	1071	22496	42131	81605	31699	15420	16513	11156	10569	14735	50866	31955	28188	106104	66455	28569	99578	25959	29913	1767	31693	33834	13670	6890	7750	52332	26647	18749	0	60439	14260	2166	49578	13481	Peptide	0.18181819	1.0909091	0.18181819
12	C11 H12 O2 N2	205.09715	205.09741	-0.023244176	205.09715	22877	19371	23954	20666	11185	10717	18640	21468	7193	13467	13402	13351	3031	7686	13351	44707	34627	11514	17806	14656	17698	32699	13873	37815	19568	3919	20505	11765	20051	22978	19574	36385	29422	28721	13087	22384	31594	15444	40089	8927	14910	14002	3252	1609	1586	12156	14065	1950	35996	23956	22510	23405	12598	2521	5782	1996	8993	34947	4601	10809	32950	5852	8339	5184	6413	12652	11443	32117	0	5775	10690	19513	20318	16837	35896	29288	1182	13312	15392	40669	13887	9896	10459	7119	5205	6849	26807	20484	18391	60143	36385	22098	52767	13531	18905	2161	23716	18857	6227	2863	3886	32351	14204	15895	0	32123	7788	1717	22535	7458	Peptide	0.18181819	1.0909091	0.18181819
6	C11 H12 O2 N2	205.09715	205.09746	-0.038881354	205.09715	68118	82125	66169	73046	57281	41617	74773	79588	41477	66570	51650	47514	26239	38392	56425	118573	121325	59283	74775	62118	67148	70526	57990	121662	66805	28511	66940	64632	71019	60076	67943	78327	122494	75190	69311	65193	112789	55652	146314	39133	70984	50982	2115	1582	1382	52560	43427	1609	98351	62973	76202	74263	57034	1472	30397	18064	33022	105178	19561	40665	110252	30193	33260	21217	27536	42803	47881	164458	23417	41470	44668	57189	53049	41289	65977	58074	802	39139	75085	72518	77704	25881	27949	40090	33489	38627	106909	77401	66314	240533	188158	118479	195285	42461	50348	1934	70369	64067	25196	15782	24463	121988	51114	51995	15595	118222	36436	1246	81922	42140	Peptide	0.18181819	1.0909091	0.18181819
8	C11 H12 O2 N2	205.09715	205.09743	-0.07590669	205.09714	74446	106115	85412	86170	64265	60225	105804	125387	37179	57702	57295	81673	34080	66795	66357	211933	230147	54455	63764	49748	53943	75227	70266	148379	72075	18166	111817	60880	111110	105505	96752	157094	165703	150253	58039	118206	180570	68873	251442	36476	46826	66330	1755	1351	1453	46681	34343	1706	157107	112332	92458	94242	86097	1682	37436	28018	36285	142554	17966	35103	165024	17598	39695	34666	30786	62136	62397	252295	15087	25351	31122	121083	122563	87113	144311	130124	1789	65830	113838	121275	79302	23627	31671	25404	51253	44913	134940	99031	75579	300399	101588	71386	196410	38303	42743	1865	86173	94682	31098	59171	69529	182553	65068	36921	12894	161066	39107	1526	115624	38987	Peptide	0.18181819	1.0909091	0.18181819
4	C11 H12 O2 N2	205.09715	205.09747	-0.08571296	205.09714	127183	142017	130707	139008	104681	50523	52428	62546	81728	87537	181113	39115	58453	44530	80684	97074	139821	91704	125417	84153	105494	96932	53107	96485	73109	24054	109022	387594	48386	47602	55943	60330	94723	57430	136109	55796	86065	108167	188220	69854	116373	61929	2504	1578	1845	70384	132693	2239	77263	45984	130530	106192	75403	3218	75157	36440	49020	109789	9360	30143	90091	40214	69749	49559	45563	71175	60742	153613	28591	48729	72984	49187	43060	37043	60146	51695	1498	37370	117345	664314	82555	36547	22887	54098	70092	46416	107241	72551	63186	203798	1403719	1868959	161293	248550	74576	3177	128229	129933	373150	57549	77678	83483	44194	48027	34782	102324	82626	1993	85038	77172	Peptide	0.18181819	1.0909091	0.18181819
6	C9 H16 O5	205.10706	205.10736	-0.032493707	205.10704	5424	5245	4003	3727	4904	4296	4592	5469	2825	1644	6999	3281	6026	10787	6626	5057	6770	7882	5166	2727	1778	1325	3064	5458	3115	956	3767	15967	7719	7880	4732	4599	5829	4500	1940	9092	4868	2892	7393	1182	1874	5654	5870	1108	2103	4240	4962	1097	4234	6979	4831	4839	4702	3049	5828	4135	5474	3651	3965	1189	6071	2881	3304	1694	6963	8924	6814	6076	3011	0	3543	4899	6421	13871	2380	4950	2392	3546	1917	52123	2189	2391	1940	845	5605	8120	4434	7267	3665	5269	0	1338	3509	12848	4640	917	4147	5047	2661	2413	4929	6383	3727	2434	65968	5076	3640	1041	2644	3626	Lipid	0.5555556	1.7777778	0.0
12	C9 H16 O5	205.10706	205.10735	0.048922006	205.10706	1822	0	3099	1711	0	1538	0	0	0	0	3233	0	0	1189	1971	0	0	0	0	0	0	0	0	0	1346	0	0	249584	0	936	0	0	0	0	0	0	0	990	0	0	0	0	1698	1640	1727	0	0	1615	0	0	0	0	1148	4348	0	0	0	0	0	0	0	0	0	0	1723	1456	1053	0	0	0	0	1106	1619	0	0	0	1669	0	0	0	985	0	1816	0	0	987	0	0	1020	0	0	2729	0	0	0	1400	2665	0	0	0	0	0	0	0	126818	0	0	1738	0	0	Lipid	0.5555556	1.7777778	0.0
10	C9 H16 O5	205.10706	205.10725	-0.049856994	205.10704	2661	2016	1117	1016	838	1186	975	0	0	1161	1374	897	1598	0	1646	0	0	1305	0	0	0	0	1021	0	2665	0	0	96849	0	1460	0	1577	0	933	0	0	2321	1134	1138	1385	0	1549	5307	2274	2182	0	0	2745	0	1333	1399	1975	1516	4680	1092	0	2017	0	0	0	0	1859	1575	0	2267	2220	2314	0	0	1402	0	1171	0	1832	0	1047	1959	1124	0	5945	1452	1764	2290	913	1054	2792	1433	996	1129	0	0	0	0	1433	0	2199	0	2872	1264	0	0	0	1008	0	68754	0	1330	2517	1112	0	Lipid	0.5555556	1.7777778	0.0
16	C9 H16 O5	205.10706	205.10718	0.118914455	205.10707	1766	0	0	0	0	0	0	0	0	0	0	0	0	0	1749	0	0	0	0	0	0	0	0	0	0	0	0	204087	0	0	0	0	0	0	0	0	0	1074	0	0	0	0	1228	1622	1879	0	0	2231	0	0	0	0	0	1561	0	0	0	0	0	0	0	0	0	0	1439	0	0	0	0	0	0	0	0	0	0	0	1799	0	0	0	1165	0	0	0	0	1053	1491	0	1176	0	0	0	0	0	0	1713	0	0	0	0	0	0	0	0	0	0	0	1655	0	0	Lipid	0.5555556	1.7777778	0.0
20	C9 H16 O5	205.10706	205.10716	0.083342336	205.10707	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29062	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1103	1519	1662	0	0	1765	0	0	0	0	0	1393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1625	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1424	0	0	0	0	0	0	0	0	0	0	0	1774	0	0	Lipid	0.5555556	1.7777778	0.0
14	C9 H16 O5	205.10706	205.10733	0.013679103	205.10706	0	0	0	0	0	1277	0	0	0	0	0	0	0	2647	0	0	0	0	0	0	0	0	0	0	1545	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1786	1824	0	0	2061	0	0	0	0	0	2112	0	1018	0	0	0	0	0	0	0	0	1503	1341	0	0	0	0	0	0	0	0	0	0	1634	0	0	0	0	0	0	0	0	0	0	0	1058	0	0	0	0	0	0	1768	0	0	0	0	0	0	0	0	38777	0	0	1849	0	0	Lipid	0.5555556	1.7777778	0.0
8	C9 H16 O5	205.10706	205.10733	-0.05123565	205.10704	6922	9668	8139	7526	4497	8424	12079	8295	3020	1446	5629	7388	8589	9421	8166	11876	23860	9712	6794	0	1983	3658	6592	7030	6041	958	12613	9276	16088	8509	8752	10311	20917	11571	1561	13149	23238	7520	16707	0	837	16519	2363	1106	2164	2570	1967	1349	8867	6002	6473	7011	23050	7549	2248	3636	14519	13922	4455	1171	17111	2006	3399	3717	14521	29911	18203	13698	0	0	0	8580	9972	12968	9700	8625	1574	9929	4730	19312	2162	972	1289	0	4240	9513	9027	8615	7898	19830	0	0	7512	5483	0	1298	6970	11075	2865	1948	5253	24169	6764	0	108494	8932	4234	1052	4098	4052	Lipid	0.5555556	1.7777778	0.0
18	C9 H16 O5	205.10706	205.10725	0.08938753	205.10707	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1682	1612	1974	0	0	1777	0	0	0	0	0	1255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1489	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1508	1589	0	0	0	0	0	0	0	1420	0	0	2006	0	0	Lipid	0.5555556	1.7777778	0.0
0	C8 H16 O4 N2	205.11829	205.1186	-0.20086151	205.11824	3498	3149	3521	3952	28144	79521	2031	12784	11961	0	0	1965	59731	44917	2252	0	2713	36427	24081	0	5117	11761	10179	5942	13290	0	0	4639	39443	0	27229	6880	74315	14906	8639	4238	7409	5206	6839	0	0	8193	0	0	0	3049	0	0	10408	2044	2822	3394	27021	1257	17371	4758	1725	17474	1374	0	3743	0	51890	5992	4817	34698	61107	4125	0	5471	0	12452	12612	5559	0	5875	0	2598	5909	13973	5263	615	0	0	5378	3791	11968	10879	17336	8096	42532	12142	7897	2214	0	477	2121	3907	4521	3723	4012	3838	5277	0	0	17190	5438	0	4115	73629	Peptide	0.5	2.0	0.25
20	C13 H16 O2	205.1223	205.12253	-0.061394803	205.1223	804430	882555	806307	698802	825775	881033	803999	942986	617971	745449	466349	574327	789551	1209037	756729	1082162	989709	866521	1080494	858877	730769	666138	546944	860128	647924	340490	854634	551038	874040	969319	698546	1052519	1004197	920354	712963	937887	1055074	627749	961305	590457	454077	722905	199620	172393	67121	766159	477010	179772	1108060	723114	788919	813416	731662	79572	665950	579198	590902	1161623	535188	531032	957615	302692	711163	608064	606735	885130	849699	1008491	246454	531887	449520	808722	871806	967840	1009853	1005644	66987	544729	731864	607003	516480	351905	784293	470296	680181	552025	854785	701928	930933	1019003	1242387	884613	925468	481063	718039	177718	757522	822683	729393	749963	805445	1025180	631665	913658	382518	759174	597023	174814	665967	768169	Phytochemical	0.15384616	1.2307693	0.0
14	C10 H20 O2 S1	205.12567	205.12582	-0.27077228	205.12563	4584	3734	2969	4343	0	0	4784	16532	0	0	0	6961	0	0	6857	26234	21740	0	0	0	0	0	10791	5915	3905	0	5693	0	12231	17285	17343	10342	5181	0	0	13731	2657	5264	24973	0	0	1107	0	0	0	0	0	0	16652	15245	5056	4899	0	0	0	0	720	25794	0	0	0	0	0	0	764	0	1209	28710	0	0	0	0	0	15502	11712	18175	0	3270	4970	0	9344	0	0	0	0	0	5139	0	2572	53124	0	0	12029	0	0	0	6011	2999	0	0	0	0	4711	0	0	22102	0	0	5542	0	Organosulfur	0.2	2.0	0.0
4	C12 H16 O1 N2	205.13354	205.13387	-0.112469606	205.13351	42159	45696	42097	43144	4046	11731	25930	87912	2903	35193	22968	24370	1730	3798	27023	94897	117873	9340	14226	29498	32235	37486	21262	63932	49604	7837	32427	39799	108639	52111	62334	81029	65736	83492	41125	105005	64680	28861	120681	15588	15190	23031	0	0	0	18484	14246	0	99074	77006	39512	35780	12780	0	3633	750	7338	88797	573	4205	81020	8504	2999	3500	6323	9148	18722	152532	5309	14171	15238	54153	79437	63520	136428	85577	0	28096	29299	17655	29819	3037	2256	14331	2498	5705	34025	32127	33384	167486	20376	5167	104063	16232	22780	0	38092	39089	3336	1076	1663	69771	24366	12470	5068	83459	1922	0	43722	4597	Unclassified	0.083333336	1.3333334	0.16666667
2	C12 H16 O1 N2	205.13354	205.13388	-0.079045795	205.13353	109124	109578	105838	99707	9531	19016	69337	217251	7806	112600	56312	55218	5283	10235	73512	319285	198454	20280	35847	91234	97800	86949	60939	310374	110625	17389	90859	79841	202892	172854	147983	227577	117747	186093	102301	218948	132248	68877	219240	54671	46523	40995	470	0	0	54440	32486	0	240356	188602	94798	102421	21272	268	8194	3952	11785	240177	2243	7481	256299	21601	6446	7018	14740	16934	37049	274996	11212	34687	34478	171438	192396	190761	273830	204779	0	66774	83180	31592	76343	10532	10319	46006	4974	13125	80600	49643	55039	362111	54021	18520	398917	25950	64379	0	102570	113734	7150	3474	5281	132309	55077	54028	12091	256995	5440	0	119491	11287	Unclassified	0.083333336	1.3333334	0.16666667
6	C12 H16 O1 N2	205.13354	205.13383	-0.02972592	205.13353	20674	19852	21773	23180	2757	7963	17103	38025	1475	18594	11580	22094	0	3522	17207	49355	61122	5173	5835	13033	16824	8783	13684	40051	19828	2312	18542	15708	59714	47443	44973	72061	63179	64075	16780	65918	60408	18672	57577	5809	6556	19900	0	0	0	7454	5208	0	61746	26891	23070	22951	8766	0	1490	0	3712	51645	0	2744	50300	2175	753	965	4590	3094	17268	112171	3228	5594	7087	33683	55032	37274	58153	58089	0	17028	9466	6623	11365	1378	1140	4919	939	2817	18741	22636	22486	62772	12047	2616	33704	4792	7636	0	19813	21033	1111	0	0	68884	20871	3231	0	49025	769	0	15770	1604	Unclassified	0.083333336	1.3333334	0.16666667
18	C10 H20 O4	205.14343	205.14368	-0.067419514	205.14342	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6791	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4013	0	12035	0	879	816	1037	0	3418	666	0	0	0	0	0	1052	0	0	0	0	0	5187	0	0	0	0	0	0	0	20919	0	0	0	0	0	0	0	0	1902	0	0	4420	0	0	0	0	13603	1574	0	0	0	6342	0	0	0	0	0	1073	0	0	0	3116	2029	0	0	0	0	0	14923	912	0	0	Lipid	0.4	2.0	0.0
8	C10 H20 O4	205.14343	205.14383	-0.11440055	205.14342	0	0	0	0	0	0	0	0	0	1721	1068	0	0	1768	0	0	0	0	0	0	0	0	0	0	0	446	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	821	604	458	0	0	640	0	0	0	0	0	771	0	502	0	0	1404	0	0	1633	0	0	0	0	1352	0	0	0	0	0	0	0	0	0	534	0	0	0	0	0	0	0	0	0	0	2354	0	0	0	0	0	0	0	451	0	0	0	0	0	0	0	0	22393	0	0	508	0	0	Lipid	0.4	2.0	0.0
2	C11 H16 N4	205.14478	205.14511	-0.17086123	205.14474	819	913	877	615	0	0	0	4797	0	0	0	1907	0	0	2277	11814	552	0	0	0	0	0	3759	65484	4856	0	0	0	598	880	596	0	0	0	0	552	0	1503	0	0	0	0	0	0	0	5421	221	0	547	3720	1075	640	0	0	0	0	0	5100	0	0	7822	0	0	0	0	0	0	0	0	0	0	1245	641	702	423	503	0	2631	1257	0	3416	0	0	0	0	0	353	0	0	0	0	0	2094	0	0	0	954	1528	0	0	0	0	1942	0	192	52401	0	0	6574	0	Unclassified	0.0	1.4545455	0.36363637
18	C14 H20 O1	205.15869	205.15892	-0.06401464	205.15868	96861	95792	81221	77429	116112	58763	163570	74119	52417	60969	54234	46706	69669	136535	50891	111189	135926	72015	99922	84763	79382	101802	54416	58442	55771	90967	169173	73617	55278	61118	48247	74982	80532	48804	59962	58777	67795	54241	146116	51792	81813	67957	10569	2873	3383	47991	68739	5334	66530	58611	76306	90258	76180	5111	57009	87192	66414	109976	34354	89753	94995	37354	98078	55197	87523	87613	96913	147939	53507	55685	95582	38631	41194	73542	108419	61729	3115	32419	88689	121057	62869	63101	146049	222170	118917	87316	110242	55208	61712	322124	162922	141156	151210	76500	107315	4863	91460	84481	68488	155558	174285	79055	40460	55991	33272	74924	78493	2976	79112	51745	Lipid	0.071428575	1.4285715	0.0
24	C14 H20 O1	205.15869	205.15889	-0.06200713	205.15868	176026	189791	159874	167771	231471	119312	298890	138340	113451	133355	156237	101524	154515	240208	135552	244429	192045	174340	202971	157478	164901	191508	133476	136274	170096	108979	281534	180823	121480	115897	102229	146569	145952	111044	137991	136453	142826	129772	202125	77905	101892	109946	28689	16901	15177	116637	148412	24285	140084	118697	185079	176819	155739	15188	165321	136274	114716	288112	94638	121513	233687	59595	166494	116777	133792	193225	193380	199659	70070	80873	104149	101114	101422	112719	146612	131508	37546	97058	226041	321178	141418	157645	176066	152191	233194	128264	296578	112296	130873	533750	437318	359466	348585	200297	201304	18687	179480	183231	145197	193027	249387	174381	100733	137508	129069	192821	157478	22125	200538	137566	Lipid	0.071428575	1.4285715	0.0
14	C14 H20 O1	205.15869	205.15895	-0.03231856	205.15869	20000	24966	17697	19769	20206	10226	35783	13606	13326	4250	6806	11310	17113	19404	16206	25667	36824	17752	18284	9806	5979	21991	16470	16572	20895	19639	35581	7272	11479	12405	13150	15416	18030	9024	8878	15668	13922	13856	33224	7880	15344	13088	2945	1751	1837	10064	15867	3350	17677	12626	20038	20936	16764	1842	13050	24879	18588	29637	7164	13007	23868	4212	22793	14036	16623	15336	17058	30048	13033	9821	15759	9421	12476	15403	20706	16222	1838	7625	23520	20022	16983	15161	34767	47215	32519	15621	30759	8547	13462	98311	35628	21879	44838	18273	17635	2595	22326	20803	19564	48578	55913	15090	12817	10205	0	20561	24220	2280	19560	9852	Lipid	0.071428575	1.4285715	0.0
28	C14 H20 O1	205.15869	205.15892	-0.05104525	205.15868	26058	26495	24162	22731	27968	19831	42280	26886	24885	15208	20308	15687	19855	32248	16660	26882	31922	21427	26973	21284	16925	23302	19839	17815	23243	21926	39723	27099	21877	23841	20738	27402	26516	22019	17908	25161	24009	21656	34259	15264	18767	17591	11785	10221	8014	13205	13489	10621	24526	24862	25163	25595	23447	6991	20311	20439	16915	35751	17240	17568	28097	14219	21977	18341	18331	20953	25618	42359	22195	20725	23644	16777	17453	22302	17113	23469	7536	17286	32637	33893	19696	20739	25592	20875	30036	14171	53687	19741	23060	64026	71422	57760	37794	21672	15483	10171	22517	22806	21481	37136	36260	30345	21911	20046	14827	28676	24572	10531	25738	14424	Lipid	0.071428575	1.4285715	0.0
12	C14 H20 O1	205.15869	205.15895	-0.049969066	205.15868	13485	13056	9428	9397	12216	5728	11268	6652	8013	3485	4146	5305	9657	9921	5484	18751	10161	7595	9553	6144	3950	11907	9368	10645	8009	6437	13982	0	6923	7413	7241	8491	6765	5467	1826	6373	7425	9272	13526	4520	4827	6970	2652	2106	1849	5524	6095	3300	7861	8058	10009	15866	10460	1929	8254	14782	8397	15507	0	0	0	0	11480	6884	6030	9068	8940	13106	0	3072	6003	3444	4475	6752	9857	9062	1585	5356	13603	0	10368	6851	11983	10457	22289	10907	17070	5288	4498	32809	13604	15048	19163	4700	15685	1717	17452	10021	9073	24726	29195	7182	6655	6572	0	9986	16298	1801	10894	7512	Lipid	0.071428575	1.4285715	0.0
16	C14 H20 O1	205.15869	205.15892	-0.06568869	205.15868	34583	43408	38335	39100	67822	24471	67186	27857	30458	16154	19139	22264	43498	60985	24509	53774	58862	32667	42333	25265	26125	55241	29132	31267	27931	37348	58860	20452	23214	30107	25950	29844	31801	19508	21851	30111	25070	29326	65488	23138	28591	31021	4785	2271	2409	29757	34989	3750	29140	23560	35157	38811	43355	3447	31462	52861	39714	57214	13868	28746	41111	12133	35202	27144	41036	38918	41204	49256	20571	18861	32911	18463	30923	27504	45941	28026	2197	19173	47969	48694	25550	24352	60482	66455	71532	39068	57034	26759	27010	192036	55019	48006	81633	31465	36012	3117	39053	41768	33267	89173	115801	30987	16754	26381	11940	33858	69152	2358	38708	27694	Lipid	0.071428575	1.4285715	0.0
10	C14 H20 O1	205.15869	205.15895	-0.07536113	205.15868	2900	3833	3782	3721	6155	3781	3977	6201	3463	1435	1893	2769	4755	8012	4540	9889	4472	4163	4182	2018	1741	3955	4376	3345	4812	3783	4040	0	2455	3390	2356	2958	2894	1711	1533	2022	3380	2968	3593	2061	2504	3380	3317	1694	2198	3216	3254	3936	2736	2739	3424	5478	4473	2251	3676	4950	4288	4707	2531	2595	0	1923	4142	3176	2345	3451	1933	5138	0	2860	3331	1333	2241	2473	3182	4119	1948	2684	6464	0	3245	4279	5973	3578	8942	4091	10127	1639	1874	21103	3388	5479	9464	3059	5013	2348	2666	3960	4394	14262	12691	2728	3937	3065	0	4694	6640	2163	3713	2707	Lipid	0.071428575	1.4285715	0.0
26	C14 H20 O1	205.15869	205.15892	-0.022318617	205.15869	68624	69164	72049	63284	75137	45787	136718	60048	62972	37511	50208	47642	53091	94322	62959	89061	86797	49521	77157	56833	61443	65944	47333	58611	66725	64588	143563	79276	61586	59617	50230	68617	80067	48232	57042	67620	61160	65506	98948	49639	49871	43702	19484	17990	11878	36274	42345	17248	63505	48954	72124	72364	69969	9718	64543	67951	57102	113731	46341	53796	95946	37976	64806	51743	64337	69131	83427	113704	47991	53212	67015	37159	50369	54703	61088	66820	0	45539	86307	118446	51659	53461	69816	63655	83190	58008	151271	46883	56846	214317	178968	138949	101289	65275	68361	16283	73865	67613	65198	94226	90032	82685	50782	56740	45957	64377	64143	12879	79986	57086	Lipid	0.071428575	1.4285715	0.0
26	C15 H24	205.19508	205.19531	-0.031901434	205.19507	32846	28630	27271	27447	32319	22949	203817	23259	22505	12513	44991	18320	13949	99565	24996	22735	32257	17450	27524	20304	16594	18188	16050	15349	22059	47985	188376	68488	21098	21991	15964	24374	25428	17147	19413	25681	16869	30361	38445	17730	35299	20639	10676	10478	13561	17353	25423	8719	22098	20945	29332	25655	30598	13601	19332	32754	31220	31392	18590	39100	35346	16930	38449	17018	87727	21187	41552	40901	33602	18823	28747	12095	20057	24018	17480	29794	13196	18148	26547	104475	19125	40963	44607	55936	32430	27283	50246	16519	25114	50968	58586	48776	31512	28165	24503	10007	28448	30280	54977	22133	25895	24208	17293	27542	30161	18598	35023	8453	28916	18072	Lipid	0.0	1.6	0.0
22	C15 H24	205.19508	205.19531	0.006656051	205.19508	9626	10589	7835	10728	3779	5952	203740	5491	1394	4333	7242	2860	1944	69712	3614	5439	13875	0	4556	3322	1732	4025	1889	2754	4599	23896	224460	19531	4070	5301	2719	5614	2499	2897	2326	4175	4348	3729	12898	2787	7749	5485	6561	0	1821	3321	9334	0	6691	8263	10777	6406	3414	3384	2358	9063	8122	6549	2466	14530	8581	3853	34451	1157	57182	7838	19758	10033	2632	3874	9652	0	3954	4612	9803	5658	2049	2245	3473	25194	2599	9264	72803	123158	6720	5546	6810	6785	4917	16302	19259	8924	7851	2911	3957	0	9127	12998	14124	3735	3766	4241	2657	8688	5027	3667	5828	0	4091	7345	Lipid	0.0	1.6	0.0
20	C15 H24	205.19508	205.19527	0.06596955	205.19508	3764	3122	3152	3947	1963	1384	76989	0	0	0	1609	997	0	64184	0	0	2693	0	0	2108	0	1478	0	0	0	13062	89510	2243	0	0	0	0	1627	2018	0	0	0	0	3163	0	4197	1995	2780	792	832	0	3044	954	0	0	2953	2751	0	2125	0	2678	2625	0	0	5454	4487	0	14850	0	47578	0	5611	2412	3151	2844	3363	0	0	0	0	0	1183	0	0	7227	0	0	32546	68117	0	1223	2627	5464	2376	3963	4907	3351	0	0	2312	1181	4666	3413	2431	1384	0	0	0	3121	1614	1855	0	1013	0	3007	Lipid	0.0	1.6	0.0
24	C15 H24	205.19508	205.19528	-0.062949196	205.19507	34568	37638	32155	32318	29660	27904	523634	19974	13534	21464	35233	13183	9148	225696	17392	30967	45587	13429	23522	18625	17963	13205	12995	12213	17011	78637	480240	52575	17060	20653	12859	17860	13187	12267	10346	20604	18772	23995	49013	12875	41466	40870	17489	5379	7988	16789	41026	5004	24563	21367	30759	30947	20388	14373	11737	30741	38085	27863	12916	52872	41165	18979	56773	8844	171094	20670	56638	46974	27992	21492	35998	10393	12491	16413	27120	20861	10538	11788	22458	70954	16346	47967	110521	184431	20540	18913	37732	16254	29055	63256	74728	40709	23868	12228	25636	6776	32306	38450	42199	11347	16188	17254	12365	35765	28546	16142	21210	5668	20466	21188	Lipid	0.0	1.6	0.0
10	C10 H7 O4 N1	206.04478	206.04504	0.010026356	206.04478	12520	15814	11687	9402	20248	20487	9992	11503	18951	5678	4820	10149	20102	15003	13751	14183	15779	26746	32869	3104	5233	10490	11019	9056	6916	0	11423	4077	8048	8852	19980	9299	26216	6310	5491	7358	18247	15444	18177	3741	2380	15166	3777	2880	4880	5665	1856	5480	14754	6239	10480	13479	30276	2784	15190	10681	11458	14333	0	1963	9433	1526	21402	19854	14061	33541	24783	18261	0	1845	1984	10094	6268	4296	8821	8964	3184	7044	10415	0	16721	5928	3647	1760	15143	10114	13450	28517	39340	18030	8104	14458	22754	3236	2174	4670	10051	10796	12409	15023	11429	13976	11782	2918	0	16761	8862	3980	10402	32687	Phytochemical	0.4	0.7	0.1
16	C10 H7 O4 N1	206.04478	206.04503	0.007060853	206.04478	47271	42527	45924	39373	167076	224689	42397	66116	43141	5368	9756	45096	20117	184385	28237	42557	43524	37442	91983	0	0	54039	47228	81626	17725	0	45711	3851	26162	39490	134095	35339	143194	31487	2502	26613	75909	32924	45664	0	1546	31880	4083	3585	4687	14019	2932	5074	87157	66623	48627	45429	94146	3296	20682	18490	33947	78163	1517	0	37905	0	15041	21513	57657	71346	129349	54990	2870	3020	2712	63257	21040	38099	18926	31422	3097	44392	87743	6366	99830	4861	1308	2108	17370	42462	55467	90592	76439	101783	15382	15599	138547	2012	4769	5454	54801	33747	44200	27322	32083	30345	37570	0	0	65310	22279	3770	30898	22489	Phytochemical	0.4	0.7	0.1
14	C10 H7 O4 N1	206.04478	206.04503	0.03196335	206.04478	10136	15710	10000	9745	20427	19097	13052	6003	14816	3592	4913	9736	12874	18373	9543	15715	13598	29934	30657	2266	2356	8417	12166	7894	9189	1875	11434	0	8048	8619	10996	6996	27170	8132	6011	7046	19468	9990	14145	2730	3154	14228	3791	2897	3892	3609	0	4122	8078	6415	9931	8009	50796	3312	14907	10525	12818	13418	0	0	0	0	28049	16667	11124	58758	23337	16111	0	2260	2497	10415	7183	2536	5795	11381	2920	7271	15255	0	12821	2445	1236	1845	15643	11370	17995	28976	29179	21404	5521	6152	18586	0	3026	4604	10830	10648	10316	15943	13223	11260	9895	1906	0	18107	4860	3385	12618	24163	Phytochemical	0.4	0.7	0.1
12	C10 H7 O4 N1	206.04478	206.04504	0.007774965	206.04478	16377	15824	13320	18339	25019	57551	16476	46997	21178	3433	3704	23140	14655	27114	17058	31350	32826	33414	47207	0	2525	13345	16398	34543	18986	2496	20709	0	19166	19818	95864	17494	83964	24600	6145	13442	35833	17763	36675	3478	0	37415	3004	3143	3898	8860	0	5391	18712	18237	16371	17311	135323	3137	17674	8594	22469	30318	0	0	20047	1949	29205	24805	35947	65180	128897	35354	0	4163	3955	23082	11035	5858	9893	13233	2755	20325	22227	0	21336	6317	1890	1501	20964	33990	21426	31979	69523	37430	6216	8557	32131	0	3530	4659	16682	16477	14736	12951	15417	46300	25886	0	0	35769	9151	4583	17603	29898	Phytochemical	0.4	0.7	0.1
8	C9 H7 O3 N3	206.05602	206.0563	0.07609904	206.05603	6543	9346	5030	6489	4363	5047	3879	9453	4252	1053	931	5421	2710	3251	5157	11952	11936	8498	10409	0	0	6264	5927	13777	3759	0	4327	0	9522	4645	9212	11086	12150	10287	0	6775	12100	4615	16425	0	0	6461	0	0	0	1966	0	0	10947	9328	6979	7750	6834	0	4031	866	3259	17538	840	0	14887	0	4834	7183	3524	8130	4932	17542	0	0	0	9420	6716	3288	8741	7843	0	5077	8077	0	7015	434	0	0	3003	0	7416	9108	10264	31593	0	8782	24516	0	0	0	5541	6700	2588	2690	0	8687	5490	0	0	14489	3117	0	8003	10025	Unclassified	0.33333334	0.7777778	0.33333334
0	C7 H11 O6 N1	206.06592	206.06627	-0.21767046	206.06587	2752	3116	3130	2520	8572	0	0	4965	2671	0	0	2133	17681	0	0	0	936	9066	7487	1695	2977	3710	2591	6073	1489	0	0	0	6743	2099	3677	6047	9274	9393	2213	5420	7157	787	596	0	0	5074	0	0	0	2119	0	0	6065	3358	2280	3029	7321	0	4534	1738	0	9058	546	0	3288	0	16076	3706	0	10384	8165	0	0	0	0	7439	6789	3676	0	5396	0	1551	1127	0	0	0	0	0	1994	0	1171	3617	7108	2104	1906	1578	4200	0	0	0	2989	3750	1074	1070	0	4324	0	0	0	8214	1283	0	0	22471	A-Sugar	0.85714287	1.5714285	0.14285715
8	C9 H12 O3 N1 Na1	206.07877	206.07893	0.2298857	206.07881	0	0	0	0	1123	0	0	0	0	0	0	1045	0	0	0	1179	0	0	0	0	0	0	0	0	772	0	636	0	813	0	1034	1557	0	1368	0	0	1409	0	2185	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1371	0	0	0	0	1149	1389	0	42143	1169	0	0	0	0	0	0	0	0	0	0	0	804	984	0	0	0	0	0	0	0	0	0	1753	0	0	0	0	0	0	0	0	0	827	0	Lipid	0.33333334	1.3333334	0.11111111
6	C9 H12 O3 N1 Na1	206.07877	206.07895	0.13554394	206.0788	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	635	0	0	0	0	0	0	0	0	0	822	525	1040	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1007	0	0	0	0	0	0	28076	0	0	0	0	0	0	0	0	0	0	0	0	754	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	1.3333334	0.11111111
4	C11 H11 O3 N1	206.08118	206.08151	-0.010556717	206.08116	42492	47719	40568	46587	71493	33181	32431	45017	65510	23045	25574	33081	63627	31930	33040	49345	66557	86425	88493	22944	26987	49401	33849	49162	30622	12176	33174	18652	40183	34792	39364	39574	65157	41660	39133	40743	56984	32865	79107	28641	31862	52562	8181	8737	11773	31425	28706	12338	43590	34068	45436	36772	56937	8882	66395	45514	43155	54812	18628	34711	51870	15981	71777	54230	28946	62260	36647	74396	18519	19524	21469	33628	39189	35017	38321	44985	7386	29241	43994	18407	42115	25430	26499	18298	49909	41309	45250	57529	53420	72538	31073	23021	75002	21368	25637	17469	38083	44852	51598	55102	54549	58888	39808	36481	21244	46836	43580	10218	35121	81539	Phytochemical	0.27272728	1.0	0.09090909
8	C11 H11 O3 N1	206.08118	206.08145	-0.026541727	206.08116	74623	83538	54875	81318	90777	60875	72596	80377	71589	42238	34128	57581	77917	55027	68664	115028	138519	97052	118267	44335	45769	88899	70757	111973	69145	19975	77544	30729	73261	63491	66238	86895	108495	69627	58808	72158	113055	62485	161266	41954	48226	67903	7934	7946	9759	49977	38785	10266	95026	66563	70116	78451	79180	9253	91763	49715	54530	97399	35038	44566	92669	26310	84326	74209	39643	86880	65525	131062	26944	25076	29962	67539	68806	50747	110542	82874	7300	56290	95911	42725	76637	42454	46992	27093	57845	49480	103666	89735	93662	161540	49477	65474	162040	37461	47287	10524	70363	76785	54555	60619	60008	103341	65384	56247	18549	104254	54496	7803	84337	106399	Phytochemical	0.27272728	1.0	0.09090909
16	C11 H11 O3 N1	206.08118	206.08142	-0.002510723	206.08118	30740	37645	36573	37095	30347	33261	39070	55276	26451	10318	16707	28636	25426	27627	33018	56513	66440	50180	51634	13228	16709	42826	33100	55091	40267	4594	43286	13263	55589	46205	55899	48948	67716	44393	13012	40036	64619	35471	64525	13908	12912	43371	8408	9080	10621	18458	9721	10726	60171	45823	37870	33918	34514	8681	18375	18267	31061	64128	13750	20602	63375	6315	24546	27016	29140	41987	41351	56521	3017	7752	5899	48089	47052	44987	37240	54099	7865	22654	45435	29565	34356	16628	15707	8604	23281	34690	48816	45714	49743	118935	42841	30655	91668	7216	13836	11347	35830	29669	21068	15382	20620	63083	29906	20045	7257	79983	22128	7802	55042	32561	Phytochemical	0.27272728	1.0	0.09090909
10	C11 H11 O3 N1	206.08118	206.08144	-0.012519268	206.08116	84286	81294	74121	75540	88808	62947	86109	93747	70157	46204	36008	70183	69764	46953	70955	123597	125346	119416	115685	49782	41876	82500	74003	106363	75523	16621	117313	46184	94935	97993	77762	102006	152031	95827	49500	89743	134256	75411	148131	35113	52034	76058	10149	9342	11143	51353	34294	11584	101397	76839	76993	82092	124274	9617	76383	45147	47304	131556	37605	51682	102443	24015	59399	75152	44136	104211	74963	156586	15233	24287	29099	86855	92508	78866	114951	94396	8159	62818	83823	46354	75539	40596	43671	20208	58538	63457	94449	93167	104919	149034	68165	63839	144206	36999	44033	12123	78135	87536	57770	49353	50105	120022	72647	60016	15318	107532	56572	10387	81759	108659	Phytochemical	0.27272728	1.0	0.09090909
12	C11 H11 O3 N1	206.08118	206.08144	-0.027602235	206.08116	101025	127745	104084	110115	72932	66158	105808	84853	54197	44319	41693	57711	51143	53941	66995	187891	118591	96536	110773	54562	44727	96208	57774	119642	81528	9606	107857	30363	120604	120324	112190	188563	159650	179042	51531	117146	226586	58396	139894	36194	56334	87798	7955	8996	10477	50659	42754	11279	177565	94135	101433	129931	85237	8303	56270	39040	50563	194929	28124	47277	135092	20305	69009	45307	36677	93925	75846	138893	0	21804	18403	126919	141259	114474	156827	162352	6849	62964	66103	48170	52812	42711	41985	24336	44446	47337	78757	116039	102103	157855	158471	107530	168206	31509	55770	10698	107832	105280	45988	36160	39275	205678	70539	63521	0	152121	42300	9657	74914	86544	Phytochemical	0.27272728	1.0	0.09090909
6	C11 H11 O3 N1	206.08118	206.08148	-0.021163126	206.08116	59797	69504	53300	59337	79322	43611	50372	70154	72634	33248	28347	44210	65542	39034	51335	85586	74362	97588	104379	31720	36850	67314	56741	81076	41309	17506	48346	26968	63759	51680	58547	71257	96556	56435	45379	59521	91040	49371	99443	26698	37982	52699	9776	7986	8995	35288	33683	8356	71965	53710	62756	59482	66473	8382	75343	46458	41281	90863	25258	44029	87384	20323	70639	52757	31154	72514	54427	93155	19485	26112	30751	48622	54325	45625	44528	62905	6455	36930	56119	22735	52860	31209	38691	20642	53637	45346	69500	70645	72392	124138	39317	37688	116988	24117	36018	9198	55664	52844	44222	54002	62814	90072	52162	47992	24228	75096	50850	7939	49294	101915	Phytochemical	0.27272728	1.0	0.09090909
14	C11 H11 O3 N1	206.08118	206.08144	-0.01591917	206.08116	107012	110089	105307	108166	118876	115194	116098	123572	56056	41135	48333	88240	62329	71626	74468	159806	127969	120037	109325	38843	33708	103693	74574	138037	92029	8550	117183	42394	121181	124562	140677	200265	169645	209444	40577	144693	215756	65954	144444	38370	35179	96386	8829	8558	8859	45006	30924	11594	170420	100747	99867	101197	116757	8386	53915	33853	68833	218145	29548	49511	140079	15649	59433	60424	43792	110453	98379	152902	0	21237	19121	157246	174379	112441	96504	163433	7745	90185	85267	37848	65694	33102	49848	24346	42775	50645	100015	163580	147913	244537	147298	138913	231878	25274	38685	11758	124421	80968	46628	41461	40054	169723	87428	65015	17357	212583	37774	10000	102803	69014	Phytochemical	0.27272728	1.0	0.09090909
4	C10 H11 O2 N3	206.0924	206.09274	-0.010984641	206.0924	12649	12964	12160	12788	12954	7580	9623	15298	7950	10772	10465	9595	6714	5076	10612	20121	24834	18363	19457	9868	10874	23945	12285	22572	13280	3111	9839	11551	10545	8065	9398	10875	16755	8747	12822	10380	12886	12527	33600	7728	12969	14014	0	268	0	10342	7716	386	14179	12636	11809	10944	12810	297	9733	4515	9107	19438	3144	8190	21468	5835	8527	7389	8374	10253	10520	28100	2603	5613	5640	10500	6668	5990	14185	7610	0	8015	20342	5578	14887	5321	4686	4339	9894	10690	22944	18424	13581	54932	10310	7689	42341	6000	6657	559	10953	12736	7112	5489	6497	15060	10804	8618	5236	23586	8206	0	16697	9326	Peptide	0.2	1.1	0.3
2	C10 H11 O2 N3	206.0924	206.09274	-0.03177319	206.09239	13719	11841	11370	12232	26200	0	9930	18750	8010	11777	14906	9565	9666	8084	11668	11470	21919	15886	16929	9681	12460	14423	14281	17207	13429	1704	3910	19380	13180	11646	16636	11620	17678	9785	12184	10082	13538	11598	22079	8080	6967	11476	318	0	0	6267	5030	0	14253	20972	12685	12325	22204	616	8212	4491	7869	22630	2148	5703	12622	3328	10904	6989	7452	13154	16249	25782	2348	6388	2850	15894	9875	6091	8861	8202	0	8602	20195	7488	12382	3912	3889	4653	14620	10445	26439	21992	14003	85870	8328	4322	43074	6176	4252	534	11457	11976	12651	6005	6159	10871	11317	7058	3477	22014	14620	0	25075	13458	Peptide	0.2	1.1	0.3
16	C10 H11 O2 N3	206.0924	206.09268	-0.021894569	206.09239	2808	1448	1487	0	7833	2971	0	0	1926	0	10665	0	7339	53867	0	0	0	0	0	0	0	0	0	0	0	0	0	21356	0	0	0	0	0	0	0	0	0	0	0	0	0	3066	0	0	0	0	0	0	0	0	0	0	4978	0	0	6730	1778	0	0	0	0	0	0	0	0	6008	9841	1240	0	0	0	0	0	0	0	0	0	0	0	0	0	9191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1862	1804	2092	0	0	0	4783	0	5436	0	0	0	Peptide	0.2	1.1	0.3
14	C10 H11 O2 N3	206.0924	206.09267	0.015619107	206.0924	1941	3045	1921	3407	17468	2919	0	0	2209	17892	36411	0	5482	81805	0	0	0	0	0	0	0	0	0	0	0	0	0	54661	0	0	0	0	0	0	5814	1500	0	0	1717	0	0	3783	0	0	244	0	0	0	0	0	3515	3078	6837	0	0	3290	2925	0	0	0	0	0	1433	0	1395	11886	11885	1901	0	0	0	0	0	0	1327	1604	217	0	1523	0	0	71081	0	0	0	0	0	0	1835	0	0	0	0	0	0	401	4096	1750	7583	4757	2889	0	0	0	0	0	9241	0	0	0	Peptide	0.2	1.1	0.3
6	C10 H11 O2 N3	206.0924	206.09271	-0.048263874	206.09239	10080	12713	9718	11872	7172	7039	11389	13467	5415	10297	7305	7639	5411	4093	11690	18660	16380	13842	13792	8105	10543	16768	9600	22641	8912	1582	9150	8113	10943	8495	11161	10514	15354	12558	14437	7486	15756	11290	22620	5087	9019	9440	0	0	245	6824	5166	0	16124	10138	12229	12887	9930	299	6562	2122	5313	19222	3037	7545	18652	3289	6235	5100	5887	7902	8824	24687	1827	4397	4091	10273	8204	6767	9433	8314	216	6218	12703	4910	10904	4401	6598	4286	3511	5702	13541	14403	11848	47340	11856	8529	36005	6255	7613	0	9428	10304	4806	2806	3454	16021	8289	7575	0	18882	3913	0	15280	9936	Peptide	0.2	1.1	0.3
8	C8 H15 O5 N1	206.1023	206.10258	0.02395339	206.10231	3152	3751	4434	3242	4550	3390	3335	7789	3868	0	3406	5859	6157	6394	4205	7940	10592	7213	5557	1175	0	0	2798	3958	1905	495	2682	10286	10697	12807	81879	6406	9488	6458	1597	5879	11452	5609	8348	0	0	6330	1435	796	1323	0	1723	941	15615	7958	3623	4418	3710	1337	5059	2191	3131	5738	1761	768	6147	1156	4103	1949	4389	5739	4700	9401	0	0	0	6443	6632	9604	7825	6005	904	4091	1789	8060	1706	1170	2529	1502	3610	0	3995	3132	4244	4471	0	0	5021	2775	1412	1033	5670	7503	3153	2338	3073	11796	3770	0	0	2547	2959	948	3760	5154	A-Sugar	0.625	1.875	0.125
10	C8 H15 O5 N1	206.1023	206.10254	-0.060058046	206.10228	2488	0	870	1963	0	1789	0	2125	1326	0	0	1921	1919	0	2588	0	3326	3919	1417	0	0	0	1818	0	1262	0	0	0	3419	3818	31549	1738	3432	1758	0	2467	2353	1320	2179	0	0	1453	1148	1251	1659	0	0	997	2605	1619	1340	1719	1188	1327	0	679	1504	0	0	0	0	0	0	895	1248	1619	1651	1505	0	0	0	1095	0	0	1800	0	1388	1048	0	0	856	0	0	0	0	1705	1403	1190	2168	0	0	0	0	0	0	906	0	1839	0	814	1861	2859	1156	0	0	0	703	929	1107	0	A-Sugar	0.625	1.875	0.125
2	C8 H15 O5 N1	206.1023	206.10263	-0.0387019	206.1023	9988	10598	10151	11808	15560	15842	5971	11432	9278	2627	5758	6989	23490	12399	7586	15872	15598	24786	14011	3389	4027	8637	8927	12459	4975	522	3170	3437	14717	10559	15317	13689	19866	22089	4551	11711	15658	7506	14357	2323	1023	8442	2440	464	754	4660	2015	455	14288	7189	10640	9443	13630	948	10227	6265	4961	15953	2207	1700	12833	691	17292	9438	7112	26082	14921	14826	0	1282	992	22954	18504	13282	3795	11361	425	7016	6445	2578	4937	2826	1858	927	6341	7217	7063	23486	13762	12043	4658	4066	18508	1225	1357	1078	11307	11089	5968	5012	5875	13781	7583	4625	2140	15837	6279	479	7330	26143	A-Sugar	0.625	1.875	0.125
8	C12 H15 O2 N1	206.11755	206.11784	-0.035343636	206.11755	60185	69687	52047	57811	33309	28512	51808	73000	28542	61233	39902	62304	22495	17308	50502	104682	94488	40748	57714	81357	72005	79770	36448	82307	45063	58479	57772	37020	61130	57377	75609	73835	78406	63242	75343	65875	87872	53468	132971	64348	78420	39446	3443	2873	2636	47251	50989	3089	93151	62515	52394	58837	38580	3370	33030	12468	24928	83170	19211	41118	76203	34940	23016	25651	21891	35673	34507	106898	38896	59974	70304	67786	60383	52129	71726	76252	2529	55515	54536	44486	38422	35847	34181	50183	17146	17767	57674	48018	42259	156642	60036	51852	134635	54344	70594	2976	60393	59433	19812	17539	20382	81954	57561	50727	15006	77699	27331	2522	57377	36131	Phytochemical	0.16666667	1.25	0.083333336
6	C12 H15 O2 N1	206.11755	206.11786	-0.037435185	206.11755	179799	199870	170375	175803	100407	93094	164474	239160	61653	94299	61879	126359	56636	46737	134734	411807	212338	161463	212985	95437	103055	311761	170235	336062	178423	36603	173867	55020	181802	153402	200553	193340	327225	201707	126955	169962	325067	119984	310365	50889	66738	144875	4411	2968	2428	106225	56214	3071	259759	190836	191053	199558	146975	3219	81924	23582	63020	397714	16381	49230	376964	32386	54648	49306	60000	123420	177703	360047	32222	69535	63071	194521	156667	143958	203408	176303	2547	112602	195053	86093	110361	41181	35207	42621	44632	69964	335503	163589	188454	854930	98264	64435	812775	60496	86085	3229	175363	170231	43106	40808	50305	313992	103997	72420	25031	364870	50470	2698	198873	96529	Phytochemical	0.16666667	1.25	0.083333336
12	C12 H15 O2 N1	206.11755	206.11783	-0.036761228	206.11755	94054	124431	107958	105594	71936	41639	90720	75126	26886	117957	68005	48199	16919	24247	35596	193045	134320	71306	74525	129876	101796	164059	36371	114085	51756	42857	112482	54871	73280	92087	65312	116142	131498	111353	88468	87568	157043	42835	174374	73745	138786	59066	3340	4121	3276	64404	101067	4062	135178	89572	115144	119739	59907	3076	30609	12293	26566	151019	35179	80888	112830	37263	53123	29664	22776	47816	47613	142460	22782	46396	52858	80914	79342	76127	190219	108786	2185	50482	42627	63690	38502	61848	61605	54750	32933	28673	65571	94464	59115	192282	133961	116134	185998	66835	183909	4214	118785	112211	27760	13553	14579	177495	46322	94553	22330	125378	28798	3474	57485	47893	Phytochemical	0.16666667	1.25	0.083333336
2	C12 H15 O2 N1	206.11755	206.11789	-0.0644058	206.11754	191305	202306	167747	177819	202952	135443	112962	192536	143151	240332	141297	130882	170531	107874	99927	367043	254022	222146	242150	227687	262670	199739	98210	206875	119907	63523	170015	120253	201496	186928	182397	225346	310526	196717	233301	205642	289530	107233	252440	127008	124466	134268	4187	2725	3235	82908	95911	3137	244028	158011	176067	177816	176324	3175	198543	72616	63038	273232	16471	58358	323804	57660	134351	138145	63095	179375	176435	291473	58041	89165	99670	188041	230030	222769	400497	203865	2724	120295	128186	77265	83054	41650	45022	92428	101118	77318	170084	155570	160293	598582	136358	108650	341928	80181	162865	5125	185038	186633	99146	96194	102323	294456	112458	164220	50182	234975	103874	3841	118098	207718	Phytochemical	0.16666667	1.25	0.083333336
10	C12 H15 O2 N1	206.11755	206.11783	-0.022661509	206.11755	69537	72691	60846	64017	73957	44141	56465	64682	21607	89448	54905	51213	12643	17294	40493	111405	84077	82153	75749	99935	118350	120362	36128	84615	65413	58480	76128	53422	59392	63099	53956	70940	106804	63455	95418	65523	103771	42989	113095	63844	102287	42973	5250	4307	3364	52901	68760	4453	81258	54920	65217	73021	57411	4091	24027	11265	21448	100135	29916	68578	95373	46445	50117	30333	19765	30786	43496	101035	40970	50812	68491	59225	57377	48847	88666	66546	3143	43005	59963	56217	37886	49837	50081	52828	25669	23090	85766	49782	48412	260302	86679	62654	224468	68702	112915	4418	68874	65951	21247	13362	14940	92511	50640	64754	20913	95704	22509	3856	88476	48810	Phytochemical	0.16666667	1.25	0.083333336
16	C12 H15 O2 N1	206.11755	206.1178	-0.006563013	206.11755	28465	32534	30947	35897	25451	24342	35986	29557	12806	38696	29302	24402	7433	15544	26544	41149	72253	23862	26721	41172	41170	43653	21339	30117	19915	23172	39295	38272	22285	29828	27616	38818	48693	29012	39167	29326	49161	21100	83679	30401	55780	23283	4332	4018	4243	27251	36557	3285	32919	25560	29086	28942	24391	4757	10260	4470	16598	44473	18211	36361	35783	18876	16633	7968	11149	20431	24168	80715	14015	18716	36709	23361	26575	32471	45502	39954	2923	16706	29637	38875	21530	25448	23080	31343	7037	16773	33063	31665	28774	89241	60705	44761	46496	29849	37605	4314	29288	35859	13887	9180	10007	53058	22419	23844	14241	37888	13880	3518	30629	20005	Phytochemical	0.16666667	1.25	0.083333336
14	C12 H15 O2 N1	206.11755	206.11781	-0.012347026	206.11755	60694	67938	56581	60420	25522	29532	69924	47150	17803	69649	48638	50177	12546	13320	31117	69382	85902	25582	35976	64451	62132	64782	24235	50147	29939	31861	69140	45118	42661	49383	49760	84911	60618	74829	67515	43212	94022	32011	103170	65797	98223	34107	3570	3085	3426	36273	52942	4603	72843	48588	60201	54841	33055	3443	14450	7653	24914	101116	29796	58104	40076	27571	13458	17726	16709	31720	28911	116669	19521	27632	61125	56004	53150	46150	69214	62789	2570	33438	39004	39075	30745	33050	58285	73662	16386	18303	48716	61270	51841	142977	77212	84347	79437	52033	82160	4476	65703	41343	13685	11200	10305	70080	41721	57294	18206	83711	16694	3758	55439	12985	Phytochemical	0.16666667	1.25	0.083333336
18	C12 H15 O2 N1	206.11755	206.11778	-0.039907046	206.11755	10142	14652	13821	10048	11903	11676	14920	14906	3016	10471	10247	10045	4826	8289	7580	19166	22146	15511	15831	13786	10153	14328	5639	14719	8280	3161	13042	17200	13834	16147	13318	19202	27175	19049	15691	14829	24602	7259	27608	8703	9446	13818	4128	2989	3595	6325	8787	3578	21202	13116	17313	17069	12502	2937	4129	4476	8037	25482	7638	19567	24180	8024	5407	5804	5879	7622	10848	21321	4584	3677	6997	14137	11046	10203	18545	16596	3802	7791	12280	14754	9796	8458	9505	9256	9820	7326	11032	18165	14963	25935	21376	19355	21179	10957	13730	4251	15728	13914	6413	3333	3897	24646	9116	16262	5597	17344	3275	3568	13888	9133	Phytochemical	0.16666667	1.25	0.083333336
0	C9 H19 O2 N1 S1	206.12093	206.12123	-0.269893	206.12086	1823	0	0	0	0	0	0	3540	0	0	1472	1533	0	0	1610	1985	1693	0	0	0	666	2368	4242	0	4585	0	0	38646	1727	2565	2612	2359	0	2060	0	0	3170	1869	2009	0	0	0	0	0	0	0	0	0	1814	1833	1788	0	0	0	0	0	0	18373	0	0	0	0	0	0	0	0	0	1934	0	0	0	2540	3257	0	0	3678	0	1249	20255	53314	3777	0	0	0	0	0	7097	0	1368	15261	39484	6466	5245	2685	0	0	2131	1703	0	0	0	2553	2083	0	0	2176	0	0	4597	0	Organosulfur	0.22222222	2.1111112	0.11111111
2	C11 H15 O1 N3	206.12878	206.12912	-0.12114376	206.12877	12916	13306	12777	12461	2413	0	7341	15545	2226	23463	15099	5871	1158	2726	7021	27287	15279	5062	7244	18437	23955	20361	8499	24020	13701	4011	7049	21617	13345	10895	12009	13347	14449	11020	23367	11394	10966	7097	16390	17130	13650	8706	0	0	0	10226	8598	0	16311	12455	11169	14298	6640	0	1828	363	3130	22888	654	1245	19242	7339	1602	1703	0	4630	9499	22394	2316	7155	6658	13600	11822	10422	22193	12171	0	6903	12473	19557	9116	2546	2397	15740	1157	2512	13246	11384	8137	50315	11285	6589	44618	9278	15396	0	13769	11002	1709	519	836	14715	6919	12237	3758	20534	767	0	13684	2534	Unclassified	0.09090909	1.3636364	0.27272728
2	C9 H19 O4 N1	206.13869	206.139	-0.07080954	206.13867	3544	3697	3175	2803	40741	0	632	1795	3860	656	0	1498	6199	8807	1023	1565	1502	15158	13513	1050	491	2755	1519	3138	1244	0	0	0	1572	1025	2405	2322	4106	2530	1230	1981	3671	977	2428	761	786	5467	1897	1311	343	1185	495	2465	3328	851	2833	3430	22922	393	1762	1735	2727	2758	530	479	2129	259	4711	2156	4071	7832	12554	2049	0	311	0	2929	1689	1906	765	2146	1491	2670	1073	0	655	0	373	270	6042	2057	704	4865	5822	2255	0	2603	4681	1289	813	822	3352	2768	4729	2518	2720	3112	1268	1594	728	2865	21027	2409	918	9063	Lipid	0.44444445	2.1111112	0.11111111
4	C9 H19 O4 N1	206.13869	206.139	-0.04863641	206.13867	40648	58466	55626	58208	1084	1033	3546	733	27273	0	76366	2184	2578	5394	2035	3093	14418	4671	90362	0	2088	1815	1029	1095	2046	1890	4057	0	1607	1046	373	1302	870	1308	5134	1153	717	1618	15433	1131	132811	20576	12021	690	786	0	26141	2232	0	1457	57628	57464	1780	12944	38507	30131	43472	1139	829	95958	1485	0	96887	3207	4062	4460	2916	26970	1186	1638	57069	1916	1443	897	26197	780	1675	959	5997	0	11493	4492	9470	2032	0	13617	1696	15001	1689	57781	0	2742	1778	46497	1403	0	55423	53953	4919927	9980	69574	1689	15949	0	7470	1344	89828	3617	4154	2837	Lipid	0.44444445	2.1111112	0.11111111
6	C9 H19 O4 N1	206.13869	206.13898	-0.04065691	206.13867	1703	2025	1835	1691	697	1166	4861	3391	0	0	0	1397	0	20509	2436	2912	7175	2910	1399	0	689	0	1956	2411	1739	2829	2564	0	6519	2989	2971	2136	1614	3755	0	4945	1317	1761	4681	0	0	3850	1372	368	264	0	0	0	2385	2347	2238	1365	1202	523	609	1069	667	1325	0	0	4382	0	1858	0	6539	1652	4248	3249	0	0	0	3246	3374	6552	2360	2215	0	1450	918	0	644	1151	19630	29328	2450	2143	2148	1441	2050	0	0	0	1878	0	0	0	2395	1994	3667	0	2715	3394	1388	0	0	1204	872	0	886	0	Lipid	0.44444445	2.1111112	0.11111111
6	C13 H19 O1 N1	206.15395	206.15424	-0.03557783	206.15393	8102	10253	10722	8632	4807	4505	2791	6803	2405	18964	11291	4343	2860	4355	5895	17601	4984	7649	9003	18617	21023	5810	11474	18103	13167	6487	3946	11139	5536	7704	6342	7147	10189	8996	25594	7457	9279	4997	7796	8330	3961	3223	0	0	0	8562	10306	285	8503	5539	8630	8563	4585	308	1440	1552	1448	17335	0	1054	14802	2500	2809	0	1994	5497	7099	7669	4090	8925	9205	7517	5887	6112	7127	6641	201	4698	10764	4527	13029	332	939	10344	1751	1564	17363	4325	4204	29582	27277	0	23144	6506	13125	416	7941	8216	1216	633	1081	7263	4004	4792	0	21710	1621	287	10468	2048	Lipid	0.07692308	1.4615384	0.07692308
20	C13 H19 O1 N1	206.15395	206.15416	0.01364991	206.15395	7030	6832	8501	7409	2065	2468	1423	3924	0	14167	30792	2188	2520	3255	1636	3938	6181	0	1843	16550	10900	9369	1193	3918	1837	25805	1822	412861	10654	5009	2139	5151	3686	10142	12435	6148	3349	1441	5484	10258	23215	3090	1917	1000	488	19820	36629	844	1495	1607	5957	4865	3844	1100	0	0	1267	0	1600	7499	3224	6483	0	1445	2060	1627	2138	7502	21570	12854	30229	4765	19031	12502	6926	12132	384	0	3881	13013	1330	14598	4414	8524	2107	2725	2125	3131	2002	14328	14824	11655	11735	7281	12081	1802	9190	7120	2708	1208	1548	4924	2410	6784	13444	4819	2373	1217	5753	1744	Lipid	0.07692308	1.4615384	0.07692308
18	C13 H19 O1 N1	206.15395	206.15419	-0.004893526	206.15395	0	3533	0	3018	1921	2036	0	1548	0	0	4564	1084	0	0	0	2303	7248	2219	0	0	0	0	0	0	2357	1619	1645	40644	0	1302	2068	0	2971	0	0	0	0	0	6807	0	3966	4355	323	0	304	1540	5224	0	2009	0	0	1756	1987	278	0	0	956	4163	0	2175	0	887	0	0	884	0	5110	8189	2497	0	3351	0	0	1674	3178	0	0	0	2674	1805	0	1188	1775	0	0	1427	3379	2471	3254	3777	0	0	0	0	2006	0	0	0	0	0	0	2635	0	0	2183	2405	0	0	1994	0	Lipid	0.07692308	1.4615384	0.07692308
8	C13 H19 O1 N1	206.15395	206.15422	-0.06849737	206.15393	47448	74232	58373	60146	455896	137079	15939	102077	20875	23050	8649	47219	7188	0	39045	87181	3877	335462	320726	43665	38286	26514	48468	103772	31673	3574	16191	7252	76030	62326	75315	93014	113993	86214	29325	72425	129546	20481	3706	11178	2819	57760	1161	376	0	28669	3789	0	109446	88646	60760	66019	241991	305	66677	759	10213	86916	26385	818	83519	3194	186532	80155	8479	30384	53309	6169	0	6813	3617	94251	61549	45505	27712	83992	0	59266	14725	0	21160	1964	7194	5544	117645	25917	10261	67136	77774	6072	23101	18454	70590	2866	4393	0	61634	62412	8195	1984	2843	108724	38055	61653	0	66354	60180	0	16751	136732	Lipid	0.07692308	1.4615384	0.07692308
4	C13 H19 O1 N1	206.15395	206.15427	-0.05650335	206.15393	49156	51043	48237	47918	8931	11442	38634	58263	5458	81009	34872	26333	10382	10207	22679	101649	59739	16801	25749	73312	76550	67134	28611	104176	58322	17544	41624	48641	50621	31182	45438	72719	60895	58726	97424	55140	51108	25649	58740	28789	13206	17879	0	391	288	28743	22426	0	69477	47553	49848	47119	17820	496	4701	4188	7351	113589	0	1344	86902	10099	4855	5020	6450	18373	19357	92903	9985	21164	18828	44751	56689	51090	84007	52197	252	29765	56869	26637	40516	2826	3128	65943	4029	7048	79257	24943	27303	208911	68208	4905	194262	28228	55723	552	46184	50029	4349	3280	4239	52484	23879	15385	7722	109586	4409	453	75999	6612	Lipid	0.07692308	1.4615384	0.07692308
22	C13 H19 O1 N1	206.15395	206.15417	0.005259402	206.15395	4359	4860	1986	2910	1241	1354	3869	1298	1631	19151	24533	2251	0	0	0	3333	4947	0	0	18435	18009	7627	0	0	0	3249	2771	27000	2676	1750	0	3634	3794	2493	11781	4433	1573	0	6484	6392	14194	2862	0	0	380	9009	10232	0	1876	0	2734	3613	0	1677	0	0	1461	2271	5164	14435	1314	3064	0	0	1875	2208	2106	6576	1458	0	2675	1323	1601	2300	19942	3739	363	1661	1833	14350	1217	6101	5893	5461	0	1673	0	2177	0	6438	9691	7086	4001	14910	14971	0	3273	1534	0	0	0	2048	2590	8842	4768	2346	0	0	1994	0	Lipid	0.07692308	1.4615384	0.07692308
2	C13 H19 O1 N1	206.15395	206.15428	-0.09908135	206.15392	176568	183110	166924	173930	8175	22197	145326	218855	5486	147753	63853	102978	5150	9123	121366	405629	183091	27260	45570	147523	150109	331922	97821	352733	409806	35351	207269	58893	180321	180216	170993	238800	165264	169684	159265	211999	177625	113344	201588	95203	45587	50950	421	290	295	102119	89031	0	251782	169376	158217	173905	24768	387	8626	2017	22349	316232	1189	2962	296606	37399	5512	9761	23528	23141	53820	233561	26454	54918	52101	194372	197908	234819	254063	184370	275	108479	220128	85557	120788	16458	22140	77763	5224	30990	413534	56792	74264	1040682	184867	44981	1017800	115577	215249	827	169257	172753	6526	2397	4076	177420	91984	124155	29386	533772	3534	0	341194	7617	Lipid	0.07692308	1.4615384	0.07692308
10	C14 H23 N1	206.19032	206.1906	0.06425494	206.19034	1100	1696	1718	2190	0	0	22713	0	0	1639	19381	63051	0	0	1259	30455	0	0	0	1938	2289	0	0	0	0	7074	79968	0	0	2571	0	0	0	0	1604	0	0	5218	0	0	0	0	0	0	0	0	1554	0	1267	4150	0	2026	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5350	2161	4739	0	0	1546	0	0	51255	0	0	0	0	0	936	0	0	0	0	0	0	3825	0	0	0	2298	0	2295	2198	0	0	0	0	61071	0	0	0	0	0	0	0	Lipid	0.0	1.6428572	0.071428575
8	C14 H23 N1	206.19032	206.1906	-0.029254153	206.19032	1279	1736	1565	1796	0	0	0	4823	0	3382	1697	1747	0	0	1204	3402	0	0	0	4600	4707	0	2319	9518	2067	3191	0	2272	1251	1612	1246	1150	0	1969	5768	1515	1439	1688	0	0	0	0	0	0	0	0	0	0	1705	12051	1360	2333	0	0	0	0	0	3154	0	0	0	0	0	0	0	0	0	1807	0	1109	1715	4806	2536	4099	1048	2374	0	1541	5900	0	5587	0	0	0	0	0	6180	0	0	9417	21669	0	11592	0	2739	0	2293	0	0	0	0	1216	1437	0	0	7105	0	0	1952	0	Lipid	0.0	1.6428572	0.071428575
4	C9 H6 O2 N2 S1	207.02228	207.0226	-0.004354274	207.02228	8517	9963	9246	9076	151845	82992	5915	3865	50627	0	0	3804	59881	2218	1921	5901	17124	29048	18546	1769	1062	1796	3268	4477	3819	0	4931	0	8919	4479	3072	10135	8070	11721	2489	9179	8892	1750	18507	815	732	14565	0	0	0	2363	2019	0	7640	3212	7896	5904	88514	0	9687	3527	11221	5804	733	3605	5546	0	383	10390	7139	40389	7652	14175	0	0	0	2900	3247	1975	13235	5590	0	2727	2021	0	2212	1663	3702	294	9029	13709	2031	16673	15606	5379	0	940	6396	0	0	0	8674	9018	82276	21966	22111	9550	1999	4376	0	5810	139662	0	3529	93713	Organosulfur	0.22222222	0.6666667	0.22222222
14	C10 H6 O5	207.0288	207.02905	0.03899286	207.02881	12872	15916	9769	14477	39692	27754	8987	8634	32983	10395	16290	8654	48045	30048	12691	10200	7482	41814	33845	9465	6522	9469	18094	6627	9918	0	5764	8134	10148	8842	10711	9130	12409	9600	16657	7838	11983	13871	11273	4106	4512	15935	5938	3363	5870	5715	0	6027	10138	5933	14179	14532	29865	4420	28382	23845	21361	16162	0	0	0	1254	53585	27410	17138	54886	29078	12098	0	3236	3892	9472	8921	7554	5703	11327	4266	9847	17266	0	17725	7339	3679	2083	28953	21577	21461	20716	28333	15205	12468	10682	12422	8018	9870	7035	16368	13841	22323	29634	26904	12221	15222	4844	0	9320	18860	3388	9515	39127	Phytochemical	0.5	0.6	0.0
12	C10 H6 O5	207.0288	207.02907	0.010554445	207.02881	17905	18239	19801	15798	39159	30771	8312	11502	39615	15373	25724	11660	47724	30772	16635	21294	15313	51004	48329	7679	3115	15403	25572	14734	10502	1220	12096	12285	14743	15098	16144	15712	21560	14792	15688	13832	14703	14708	7942	2978	0	28210	4651	3008	4955	7299	4788	5743	16068	12738	19836	20237	34723	3782	39414	21238	22952	23188	4687	0	19898	2547	61128	31434	22440	59613	26636	13322	0	4788	3012	11960	13343	12581	11928	16273	2988	12203	21001	22520	20255	8322	3347	1839	26261	20460	31097	20378	37630	21359	24843	19244	12901	8478	10291	6709	17041	18416	28388	31308	30245	22423	12452	4841	0	14275	24364	4083	11433	63123	Phytochemical	0.5	0.6	0.0
8	C10 H6 O5	207.0288	207.02911	0.03283662	207.02881	5952	10967	0	9537	31043	16304	4458	4371	24564	4241	7071	6085	39580	20911	4878	2932	6484	25450	31591	2926	2558	9227	9197	5467	3673	1610	3035	3308	3809	4666	5120	4826	7732	4303	7062	3999	6279	5180	4949	3391	2428	11918	2882	2170	5294	3108	1996	4312	3965	3183	8685	8638	15963	3103	23125	23068	11559	5588	2091	2279	5682	1720	44643	23736	11060	34740	12076	3968	0	1342	2999	3059	3814	2686	3111	6990	3143	4303	8856	0	8864	5231	2499	1272	25806	11688	7022	13043	18684	4732	0	0	5595	3694	2481	5719	9022	9725	20217	31549	29113	8208	7155	1834	0	4806	14538	2659	4073	48602	Phytochemical	0.5	0.6	0.0
10	C10 H6 O5	207.0288	207.02908	0.060593195	207.02881	13436	14037	6775	10004	35271	19826	6711	7870	31186	7240	7659	6207	48338	22699	6197	6351	6336	37718	37386	6035	5794	5606	11404	5838	5101	1391	5283	5531	6213	6462	7028	6250	13063	4385	8600	4780	6338	6838	6696	3225	3076	13803	3986	3521	6193	4476	3718	5334	4677	4761	9594	13546	21147	3302	29343	23105	11719	11070	2957	3446	0	1425	49643	25866	9850	44275	15640	8366	0	2106	2701	5533	6999	4725	4174	6437	4410	6744	9850	9655	10991	6344	3162	1375	32977	17029	13257	16567	20751	8000	6892	4549	6081	5976	5540	5801	10786	9958	23400	33487	32454	10163	9496	3397	0	7022	18645	3275	4995	60175	Phytochemical	0.5	0.6	0.0
16	C10 H6 O5	207.0288	207.02905	0.034418177	207.02881	12410	12406	9321	12178	31628	22875	7499	6094	26003	8962	8111	7078	33358	29334	8300	10924	9619	38523	35720	5524	4486	11881	13455	7209	8746	2218	8429	10318	4428	7890	9290	7547	9520	9244	9991	7355	14595	9206	8693	2792	4379	17154	4803	4022	7727	5666	3688	7589	9340	5518	15306	8174	22197	5474	26090	18584	16971	11602	1714	2483	12381	1718	42249	22611	16321	46597	22113	9762	0	2667	4211	9686	4538	4884	4911	6826	5679	4053	20204	17404	14911	5052	2966	2447	24162	20827	27482	16268	23373	0	8360	9091	0	8015	4496	7671	14788	14557	20352	19966	24648	10037	10367	2457	0	0	16512	4127	10618	37076	Phytochemical	0.5	0.6	0.0
8	C9 H6 O4 N2	207.04004	207.04031	0.07333954	207.04005	3756	3476	3083	4503	8815	6587	1138	3980	9230	0	0	2208	9602	3499	2194	2294	3617	11064	14522	0	0	5317	4281	2538	1943	0	1274	0	2229	1216	2981	954	6707	3369	1901	2191	7439	2529	5051	0	893	6515	0	297	685	0	0	495	2367	2431	3672	3505	7775	352	6968	4034	4477	3176	0	0	3961	0	18522	11104	8194	8736	7446	4496	0	0	0	1844	1717	1043	2044	1995	335	1644	3556	0	3471	1159	0	0	5305	0	3627	9779	9614	9778	0	0	10572	0	0	621	2010	3239	3988	4885	3847	3254	2012	0	0	6831	2926	0	3018	22631	Unclassified	0.44444445	0.6666667	0.22222222
6	C9 H6 O4 N2	207.04004	207.04033	0.011545577	207.04004	3678	3449	3098	3723	10926	4339	862	2314	7737	1123	994	1436	10538	5660	1730	3234	2503	10785	13584	0	0	5141	2900	3684	1203	0	1255	0	1966	1560	3261	1376	4523	1305	1960	946	4295	2320	3052	0	0	4067	0	284	476	0	0	563	2155	1783	2858	4238	7443	597	5203	3264	3457	3740	0	676	4405	0	23752	5456	2580	12038	6969	3947	0	0	0	1609	1410	773	1616	1699	226	0	2452	0	1880	601	447	0	5061	2536	3012	8720	7545	7839	0	0	7829	0	0	587	2435	2812	3875	5146	4100	5078	2763	0	0	6722	2255	351	1625	22562	Unclassified	0.44444445	0.6666667	0.22222222
10	C9 H11 O4 Na1	207.06277	207.06303	0.2507486	207.06284	1992	1256	1971	0	1788	2754	2099	1864	1346	0	0	2373	0	15589	1387	4693	1232	0	0	0	0	0	0	0	1425	0	3186	0	1346	2422	7408	4446	1512	5660	0	1664	3424	3289	3325	0	0	997	1197	0	0	0	0	0	6109	1166	2736	1543	2272	319	0	0	1303	3055	0	0	0	0	0	1127	8177	2757	6304	2402	0	0	0	4741	7460	3495	101142	6276	0	1897	0	0	0	0	1611	2522	0	788	1418	1153	2606	1316	0	0	0	0	0	840	1139	0	1291	0	0	1776	2155	0	0	1707	1117	722	1633	0	Phytochemical	0.44444445	1.2222222	0.0
6	C9 H11 O4 Na1	207.06277	207.06308	0.31400982	207.06285	0	1831	1371	0	2756	1475	1746	0	991	0	0	1535	595	5683	0	2911	0	1334	980	0	0	0	0	0	0	0	2265	0	0	2072	720	1994	2664	1759	0	931	1992	1008	0	0	0	671	2952	374	0	0	0	0	1330	955	1499	0	2074	297	0	0	1890	0	0	0	0	0	2029	0	2627	2288	5230	1497	0	0	0	853	1976	797	173003	1005	0	1169	995	0	0	0	1761	4506	626	1232	1464	1180	1583	0	0	0	0	0	0	545	892	0	1457	1451	0	1238	745	0	0	0	1288	0	958	785	Phytochemical	0.44444445	1.2222222	0.0
4	C9 H11 O4 Na1	207.06277	207.06319	0.30622944	207.06284	0	0	0	0	625	0	0	0	0	0	0	0	0	2177	0	540	0	0	264	0	0	0	0	0	0	0	1212	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	416	0	0	0	0	0	411	261	0	597	1168	0	0	0	0	0	0	0	35986	393	0	0	0	0	0	0	605	2215	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	686	452	0	0	0	0	0	701	0	0	292	Phytochemical	0.44444445	1.2222222	0.0
12	C10 H7 N4 Na1	207.06412	207.0642	0.20908366	207.06416	599726	775202	647412	654104	1094124	816254	573406	531968	1137902	385760	391182	363044	1159266	756732	497830	744808	534618	1590614	1528272	425380	380656	513704	603254	457342	509888	146494	693414	337122	658002	510738	505596	732944	851796	1200884	596516	544492	788552	511312	1171957	318690	306082	721388	109108	120086	145976	353644	260000	175266	671058	445664	697470	685846	993304	113440	1397904	715015	609810	735924	353836	278280	686292	221422	1403892	1056026	497762	1438252	787672	530348	187624	262706	255348	455784	548860	528816	593574	1349380	92270	440178	543038	343208	515044	337726	295644	178362	864320	698088	713596	674608	867182	548358	514998	433462	497570	306344	366974	174616	681556	712044	847776	860866	881732	824840	494828	360186	208192	532152	861114	184656	432206	1703580	Unclassified	0.0	0.7	0.4
10	C11 H10 O4	207.06519	207.06546	-0.025627464	207.06519	325354	301867	252909	265339	527536	359946	242417	239315	590917	184063	182067	218851	673440	342922	246151	304118	239203	763259	671543	235404	210690	231934	270330	200905	197541	65335	252246	160222	280806	258615	238138	278258	399304	236288	251277	252760	364937	230491	299039	159148	159000	324094	71808	59220	80781	167669	122272	93576	273454	191623	293518	320209	444274	60890	667105	407268	238004	364277	158134	147801	322440	94322	577017	507149	233922	618208	328574	283284	113508	121396	115911	200878	227942	228567	241197	268239	57708	192198	262057	154389	268909	156096	157319	89949	485985	346227	330941	308180	397895	215452	213247	184601	231036	163504	171832	83289	282492	321953	407902	509473	496264	351855	231384	194696	111735	217527	422690	79071	194726	731656	Phytochemical	0.36363637	0.90909094	0.0
22	C11 H10 O4	207.06519	207.0654	-0.031103771	207.06519	66468	68483	44785	65186	89014	270842	46650	54595	282571	32245	40850	46527	66992	129983	57012	47535	52100	145881	82477	46183	46261	59231	65761	58269	53862	34732	49160	31957	56213	50818	51448	56020	74819	49098	54993	53606	64156	55985	53344	42019	34965	129573	35682	38651	53540	47707	36184	48622	49809	40589	58139	56781	67772	32702	77203	67216	63167	68522	36478	29232	61005	32258	84447	62593	80659	95947	56101	56072	35853	42709	44128	53254	44087	48067	33614	57382	41703	44237	64140	33885	64344	41266	35225	32837	93986	60157	62222	71676	69137	60539	61827	49556	57241	33420	39923	55231	53083	59302	77514	89143	70602	66575	53590	37995	42920	62689	56851	41680	60799	93974	Phytochemical	0.36363637	0.90909094	0.0
14	C11 H10 O4	207.06519	207.06544	-0.030108519	207.06519	371257	385405	331067	412134	533868	458047	332923	447478	502990	172209	184035	290891	668189	470967	374144	535216	396078	738947	658908	191123	198808	381888	419523	350564	399535	84934	321154	224933	484378	425274	388750	510955	520009	448186	253729	443035	473521	331330	383806	153396	123565	398013	72274	57003	62749	208441	108070	76632	460481	360296	370248	345359	469317	55947	592381	345953	318351	664452	149960	113368	459468	99152	620190	441163	285639	740428	581988	361854	98310	138367	132471	382264	428942	444329	319418	462258	52942	309774	353901	194972	349909	170907	136574	96470	414833	319811	432973	366356	525545	930395	287732	222650	900290	139780	152053	90877	372728	379540	337598	405988	412401	395538	336355	171979	93872	648617	287120	69161	403627	559118	Phytochemical	0.36363637	0.90909094	0.0
4	C8 H14 O4 S1	207.06856	207.06886	-0.11553908	207.06853	48240	50427	45572	46614	1525	2123	315867	89223	2518	16070	51294	271032	900	1748	26479	25673	6610	1981	3448	18702	18491	1040	1668	1617	5447	0	1369076	116216	87499	101728	124533	86175	40026	15425	8154	108396	20325	15872	9064	0	0	18308	0	0	0	1359	993	2025	67843	66869	48959	38639	2771	0	2033	1314	49523	37551	495	0	33592	0	569	104153	41124	1040	19388	6973	0	6402	0	26237	27151	67318	5871	80586	0	276172	1542	20984	1442	10703	357	245	11437	4259	5016	1569	16253	2883	15606	3857	835	29446	34083	0	46950	49497	3641	793	2314	19431	1749376	0	16383	4690	1808	0	3581	1063	Organosulfur	0.5	1.75	0.0
0	C8 H14 O4 S1	207.06856	207.06898	-0.12862712	207.06853	0	0	0	0	0	172643	0	0	631	0	0	0	0	0	0	0	3739	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3026	0	0	1473	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1620	0	0	0	0	1563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3624	0	0	0	0	0	0	0	0	0	0	0	0	15367	0	0	0	0	0	0	0	Organosulfur	0.5	1.75	0.0
6	C8 H14 O4 S1	207.06856	207.06885	-0.0362857	207.06854	1846	2608	1618	2256	1600	1232	21254	5128	1481	0	1501	9253	998	1780	1096	5223	3380	1725	2949	2774	723	0	1219	801	1069	0	32417	3471	10260	18371	7339	8011	1953	1266	712	7974	2252	1175	4900	0	0	2678	0	0	0	0	0	0	11509	5496	1639	1814	833	0	904	692	2158	4088	0	0	2732	0	0	1043	3784	1000	3028	4039	0	0	0	1100	1518	3617	5190	8704	0	4871	1332	0	570	417	0	0	1619	1375	2484	555	2423	1762	0	0	0	846	0	0	2041	1468	716	659	1221	2880	6645	0	0	741	1463	0	1066	972	Organosulfur	0.5	1.75	0.0
12	C10 H10 O3 N2	207.07642	207.07669	-0.024406314	207.07642	51137	64744	58573	49880	42197	62675	94218	105312	32993	12463	22657	57198	21143	39822	74156	115739	152413	80800	76967	16563	12678	73196	89920	103354	107476	3328	75223	20884	109927	58654	95624	95930	138896	109926	14688	75212	109532	83228	180032	7155	9090	100344	2614	4231	3183	28361	8710	3820	104558	68027	55185	53952	77720	3388	42947	9859	46168	135686	5816	15744	121412	5924	24873	33706	37270	56938	97855	164926	0	8160	6949	79350	65512	40094	79241	73041	2396	67000	112600	28962	95162	14715	17254	4091	19529	48415	127085	104754	114464	265163	29620	29851	194400	11500	15215	4106	66417	62291	23613	16215	14108	114877	65539	15411	0	160108	30748	3096	121291	53225	Peptide	0.3	1.0	0.2
6	C10 H10 O3 N2	207.07642	207.07672	-0.028678605	207.07642	45587	52233	44301	47271	44143	26786	44780	61213	38215	15776	18509	36447	31897	23603	46271	84977	65347	57232	65294	15542	20100	76813	46117	107144	40018	3288	40645	13131	47810	45478	52374	58974	79456	49239	18812	44693	71220	47387	97460	11586	16604	43928	2654	2366	2627	30318	15428	2690	64908	47891	51258	48487	43980	2900	46240	22115	33685	87176	14033	20872	86709	9413	37386	32762	28959	40681	41031	102438	6721	9698	13283	41697	43195	30718	40506	46812	1819	31522	55089	12998	43336	15173	19547	8821	30299	33358	55904	64073	53886	211796	23293	24146	203231	13538	16555	3273	45648	43374	22244	24866	28564	72639	41010	21900	8684	93942	31362	2279	54375	59123	Peptide	0.3	1.0	0.2
14	C10 H10 O3 N2	207.07642	207.07668	0.03941403	207.07643	10201	10868	11877	13778	9125	8584	16655	13249	7542	2299	6221	12809	4530	6428	12767	22470	18012	9742	9411	2465	0	11799	11901	25112	17789	0	10479	0	12358	10168	16449	17960	18708	19885	3117	12144	20622	9721	18122	5571	7365	11430	0	2769	3062	5261	0	3075	23423	8781	11367	11510	10097	2923	4117	3239	7690	24831	0	5915	0	0	3385	4380	5699	7633	11627	18885	0	2137	1666	20622	13937	10601	9327	12754	2028	13630	11673	0	12029	3532	5749	3825	3619	4996	11461	16893	15575	45606	7087	11694	39710	2684	5119	3679	12532	9012	4722	4999	5222	16180	12521	3388	0	21565	3236	2953	22358	4578	Peptide	0.3	1.0	0.2
4	C10 H10 O3 N2	207.07642	207.07675	-0.08328913	207.0764	29112	32186	29012	29856	38677	24174	19667	37739	35924	11167	11801	23353	30448	19248	24658	48440	60437	54574	54045	10603	14327	39570	29679	41207	22912	4498	19201	10960	32176	28832	29607	33390	46368	31059	16401	30174	40760	25986	67948	12713	13016	45484	3037	2699	3650	14775	11051	3956	36138	32012	31328	24961	39073	3329	41296	25021	30458	44341	9450	15470	48061	6021	39542	31356	21716	34963	28732	60553	5957	7743	8577	26828	26391	22176	28018	29166	1608	17640	31078	7606	27064	10651	10345	6483	37121	33720	34605	53060	42267	77352	13268	10291	77372	9742	11049	6680	24475	35082	30804	35022	35129	38060	23736	14183	8554	45084	36505	3708	29464	45392	Peptide	0.3	1.0	0.2
8	C10 H10 O3 N2	207.07642	207.0767	-0.037336703	207.07642	67891	83008	42450	70919	55474	58016	57049	102351	40970	18392	22850	67927	45235	32617	62034	122178	134503	87753	94845	22313	27460	74519	59502	102735	57884	5573	81865	17737	101361	86215	84127	127965	100657	126474	33719	95054	127511	57730	158351	13657	15895	103044	3619	3028	2857	29228	16706	3054	122256	75075	62464	78745	69317	3516	58576	22882	38539	128721	19790	23012	123716	8420	41086	56962	30509	62453	81833	124108	4932	13750	9949	100937	123984	95195	94651	125907	2113	66153	62167	18888	49732	13929	19639	7859	28746	31869	62729	82263	95976	189706	32661	28838	198774	14073	16259	3292	66229	66424	28789	23514	25074	112051	65172	21941	7060	132575	33188	2533	65384	68551	Peptide	0.3	1.0	0.2
10	C10 H10 O3 N2	207.07642	207.07669	-0.025936473	207.07642	72480	72742	61754	62320	56595	53013	70810	107843	36469	17553	13920	70402	35633	27008	58102	166959	138373	79805	81844	17328	15950	98448	64041	132931	62612	2312	77565	15155	99379	86513	91730	103702	130552	109916	19579	83977	139381	62566	182443	11564	15218	67997	3817	3860	4236	31786	8156	4153	116786	84586	74661	80632	68619	3998	55589	16189	31308	179200	14819	20881	165395	6094	31221	50269	29241	53756	64868	202501	7574	8835	10093	99923	90631	55269	106401	85756	2356	62533	84328	31057	73072	21559	17546	4398	26334	31556	91210	93829	80071	261655	37135	31644	250874	16489	19625	3115	70140	67803	27747	21416	20317	113533	60730	21629	0	144488	35170	3241	84285	59239	Peptide	0.3	1.0	0.2
2	C10 H10 O3 N2	207.07642	207.07675	-0.054701913	207.0764	31006	32005	25725	27230	47235	30078	20042	35939	37234	12528	16443	24633	37754	24235	23722	18320	45478	54762	44909	10353	15471	36260	26989	35118	19041	3197	10537	14735	36144	22683	36987	42994	54135	34600	17193	33789	41550	23807	49438	10772	11014	41715	2426	2344	2953	14531	9538	3014	37802	21157	23278	30564	45073	2499	35861	22089	30197	48933	6582	10150	21986	4633	53192	33627	25619	50312	39997	55967	5453	8542	6726	36103	33232	21476	16646	34334	1980	17211	23387	9116	19673	7941	7531	5769	27223	29135	25160	59223	49954	72342	13065	14681	64527	6962	6529	5232	27360	27734	29130	29450	28181	30921	26208	11587	7248	57799	25146	2553	22975	58889	Peptide	0.3	1.0	0.2
8	C8 H14 O6	207.08632	207.08658	-0.013829204	207.08632	1464	1480	0	1493	916	1115	0	0	724	2096	11153	0	2538	2030	0	0	0	878	0	0	0	930	0	0	1234	0	0	42690	0	0	0	927	0	957	1728	1249	0	819	0	0	0	1300	1249	1192	1347	0	0	2190	1109	0	2405	2162	1196	2251	2486	924	8730	0	21109	0	0	11737	3948	1180	26743	7152	6381	0	0	0	0	793	0	0	0	0	1326	0	0	23143	0	3721	0	0	1670	7322	0	792	862	0	0	0	0	19573	1527	1179	1398	2969	2349	1508	18658	0	732	0	64095	0	0	2579	807	1229	Unclassified	0.75	1.75	0.0
14	C12 H14 O3	207.10158	207.10182	-0.055721257	207.10156	953073	987022	843159	983917	1173042	974248	1010631	894399	1068135	727359	593402	655385	1308218	980834	751017	1014886	1138428	1612866	1371934	1066530	1040907	822362	741081	636408	808327	460306	1008812	698295	1122557	976526	834300	1250197	1451461	972129	1015115	1099722	1261027	725208	1214068	703500	622483	960112	133495	91463	83677	596432	580663	109314	1123892	693909	931620	878437	1087065	85704	1318698	888438	741745	1324534	645970	612805	1008317	393619	1291411	1024357	682285	1359110	1091446	1091006	349229	550843	508760	769727	952190	1010486	1007505	1047505	73028	657114	776663	641057	633674	592821	914204	812155	1034231	705500	1066970	890306	1074052	1086946	1092742	901805	979704	502029	732477	124621	951075	967146	890096	1154419	1187123	1200196	713802	887824	402654	807669	900637	96867	704414	1128223	Phytochemical	0.25	1.1666666	0.0
6	C12 H14 O3	207.10158	207.10187	-0.061663195	207.10156	222518	230384	167486	216270	214149	150374	203136	215658	253927	178226	168517	155110	212980	190716	183386	217175	213077	257116	265343	219959	231665	215248	186361	187616	131563	178865	179563	136937	233018	217983	193916	230524	263641	188897	234614	229498	229556	171388	265328	131711	195256	202883	92328	82640	98984	198955	200010	91880	234059	179037	216636	212123	208287	78053	273241	241089	191373	237227	152758	191189	218398	127063	243312	177918	140317	210806	177808	287814	194480	207871	260058	152302	193636	227412	156267	229265	75689	129669	176652	88484	186331	196580	229526	167702	240087	193613	218512	159334	205911	528146	165032	173778	185932	148042	185849	94539	200206	207143	192116	297135	350281	279712	201210	203197	162493	167677	225966	80239	153573	241731	Phytochemical	0.25	1.1666666	0.0
22	C12 H14 O3	207.10158	207.10179	-0.033344284	207.10156	305517	343590	242517	301849	309787	280292	464678	386055	275347	193428	161940	417473	208894	289476	492927	390983	391054	347682	265813	223351	200367	243102	474015	333066	493496	147907	431007	163433	426095	363151	342664	383455	438064	355614	218930	394567	439380	445666	370613	175870	154229	264361	99532	96874	91303	186371	156132	104754	409552	374808	306637	306152	281379	84945	320967	258089	405485	420035	204058	153544	362758	119840	287628	249521	355830	301600	275824	326175	134354	196870	184236	296321	291556	302722	253215	379660	73448	339158	572325	151978	494913	165512	230873	192500	425967	425056	551761	352876	298971	411890	318397	266120	376826	129158	172980	107375	278175	316020	251210	401102	390693	437875	426030	220741	188806	350208	360966	95447	485217	320428	Phytochemical	0.25	1.1666666	0.0
12	C5 H14 O1 N6 S1	207.10225	207.1027	0.73829067	207.10242	839692	1091024	932817	981611	989982	801109	1018198	824217	939922	734965	653427	523799	841422	862470	649424	1239857	1120059	1391287	1454934	1064039	999717	848205	670499	618337	678938	527545	1182141	567690	1106044	902150	844349	1188499	1295967	1014317	961779	943842	1195939	658648	1335375	636624	701122	849507	108014	95681	98249	601530	611312	119133	1216742	743918	967215	1031033	972021	83467	1214931	729315	665193	1143186	544943	663869	1099086	385151	1185991	874459	643383	1187830	955397	1086421	413077	617172	631715	737204	915638	904171	1217089	1122842	67155	635200	702162	610871	637176	612432	997096	856255	903952	731029	964862	784321	951525	1038170	1023156	1017866	803506	534693	839516	121633	1017073	1023642	854215	968098	1014748	1271444	654842	790970	390414	764218	923605	93932	634984	1205061	Organosulfur	0.2	2.8	1.2
6	C11 H14 O2 N2	207.11281	207.1131	-0.078052916	207.1128	215703	230973	207894	222593	62117	92145	188266	331393	45632	89415	62597	131073	26526	31013	148114	651913	508625	118701	171640	87819	95545	214043	177668	509023	225002	31084	179027	66331	371913	213024	252560	379819	382717	390105	113630	308800	375692	137899	584492	52852	92204	173591	1912	1348	994	136439	80917	1263	403959	223090	233304	231126	130830	1418	45117	13159	55686	557768	34706	73559	543061	38925	23498	31039	52151	72479	178246	657863	32790	74885	75420	196921	213738	151004	386619	268013	985	122173	147256	87034	129564	58639	55762	49594	29137	68761	223411	261891	219871	966336	133111	80750	625474	59034	76090	1743	209842	196237	31018	16517	20093	376226	125540	74892	35476	499023	38783	1195	232829	43762	Peptide	0.18181819	1.2727273	0.18181819
12	C11 H14 O2 N2	207.11281	207.11305	-0.12268378	207.11278	49204	52540	40467	40644	21832	13085	52045	53593	11383	18878	17408	37379	4526	13773	36047	113442	73490	20069	25579	24222	19853	66350	36433	103038	51167	9997	61777	37362	54908	54542	49944	73226	63722	60337	20666	56076	64172	40751	99839	17996	29239	31227	1015	1574	1332	21924	17854	1228	72199	51974	47642	44797	29534	1449	15267	3341	20883	82924	13022	19472	89365	11738	5398	9245	14471	18370	26122	110755	0	19918	22774	52657	45910	42930	94703	59130	629	37016	44108	45105	37570	16005	19898	13771	7802	12101	50131	34433	31459	162997	68251	32049	150695	13446	28567	1431	51482	49136	9575	5274	6778	73158	38279	24548	0	84493	19941	1680	56452	15608	Peptide	0.18181819	1.2727273	0.18181819
14	C11 H14 O2 N2	207.11281	207.11304	-0.09016266	207.1128	17076	20782	17836	13843	48274	10747	20584	14507	4188	7259	7268	11883	2085	3390	9218	22122	28342	7209	4361	9257	8233	11549	12517	19868	10325	10250	20990	0	11563	14675	17415	17511	21242	24400	10583	13142	23965	8632	29517	11643	19430	13226	0	887	1058	4926	7299	1336	17187	14007	16885	17637	33221	1164	3358	1684	24786	21818	0	11075	0	4449	0	2940	4857	11793	12821	35971	0	6635	14563	19572	14718	9441	21683	15239	923	12134	12766	15908	13093	7904	10812	10455	3208	4714	14047	13404	15312	48186	35639	17596	34369	5772	13158	1469	15235	10900	6338	2563	2281	19300	13162	13349	0	31618	13630	1416	22797	7509	Peptide	0.18181819	1.2727273	0.18181819
10	C9 H18 O5	207.1227	207.12294	-0.098895095	207.12268	5532	3813	5037	4186	4756	4368	1232	0	1342	6468	5065	3381	6144	8909	1628	0	0	2094	0	11006	3101	4255	0	2349	1935	1717	2855	13348	1270	1471	2167	2035	2482	2131	3659	1615	1983	1600	1799	13440	2352	1997	15436	6599	4308	20714	5340	7571	1876	1296	4905	3890	3008	6823	0	1810	17916	2459	7257	3038	13971	6860	13840	2683	27489	42973	29511	2185	0	27344	3587	2474	1423	1276	0	3513	4817	2584	1347	12294	2191	3491	2814	2243	2065	14439	0	4246	2138	0	7340	6472	0	4517	5157	6187	5103	6010	5005	2083	12021	1581	2797	10302	148836	1616	2189	6951	2485	3999	Lipid	0.5555556	2.0	0.0
8	C9 H18 O5	207.1227	207.12303	-0.06903642	207.12268	1354	876	1222	1704	0	0	0	0	0	0	6367	0	874	0	661	2095	0	0	0	1855	1571	0	0	0	1166	942	1076	16292	0	0	0	3641	0	0	0	0	0	0	0	1679	1270	825	3829	876	1972	2409	2364	1041	1269	0	1067	0	0	1986	1034	1219	1494	0	6164	1122	0	4519	1287	0	2606	1656	903	0	3530	2236	4302	0	0	846	0	0	1949	0	0	33639	0	781	870	0	0	0	0	0	0	0	0	0	0	4740	0	910	1279	0	824	0	0	0	673	1512	68855	0	0	1198	0	0	Lipid	0.5555556	2.0	0.0
6	C9 H18 O5	207.1227	207.12299	-0.14830634	207.12267	22943	27373	20691	22639	3199	1890	2075	2623	2410	35319	77379	1920	6369	11162	1594	4393	1992	3285	1632	13867	13997	11519	2087	6603	2644	4628	12529	116799	2933	4699	1624	2188	1984	1457	5638	3634	2272	1327	2359	48545	22029	4742	22225	1586	3214	56782	63296	3934	3668	3647	22226	24023	2524	6368	2510	2105	3397	7367	81577	11740	68358	74618	10325	2150	8406	14036	13758	2711	27501	19222	34952	3547	2429	3211	1009	2863	3732	1095	1578	190923	1917	6787	2861	2924	3228	4372	1846	8301	3497	1696	13933	10257	3311	41739	38436	2498	24956	25443	3106	2029	6007	2277	1380	29649	1324484	2694	3759	4605	1996	4089	Lipid	0.5555556	2.0	0.0
4	C9 H14 N6	207.13527	207.13535	-0.3464654	207.1352	12254	15622	15169	12455	0	0	0	105303	0	0	0	7972	0	0	3652	121794	1461	0	0	0	0	0	4410	187261	44965	0	0	0	22495	99562	225891	6131	0	3104	0	16117	0	2767	1953	0	0	0	0	0	0	12521	0	0	45433	69387	14506	15275	0	0	0	0	0	89233	0	0	102211	0	0	0	0	0	0	1793	0	2455	0	142400	57002	71016	5968	55578	0	10036	15455	0	16647	0	0	0	0	0	12850	0	0	3232	2249	0	2637	0	0	0	12419	13564	8437	0	0	0	8735	0	0	10911	0	0	51400	0	Unclassified	0.0	1.5555556	0.6666667
14	C13 H18 O2	207.13795	207.1382	-0.09519866	207.13794	504542	518995	477445	512731	440199	370073	713229	715696	289337	289902	265439	317596	344248	554216	303689	627974	865521	413228	381212	418195	415058	356890	277324	328936	401285	370077	778097	303439	1020577	635558	980625	1134857	637112	796944	359630	960641	597707	311397	927261	208846	269273	403052	58086	28072	22635	225179	276706	37077	971220	523144	501800	465193	406761	28718	302405	336508	308689	781851	201929	331740	557319	121290	420857	254648	360004	430417	476797	855206	202820	266729	310422	561623	707330	698336	1031420	832170	21016	291643	363518	321397	301054	253850	687444	673267	471821	310711	575342	357239	469017	853258	519999	403334	520527	197290	308516	38366	518626	460778	347325	655075	710147	600400	312635	351407	140036	519070	392631	29648	428669	259587	Lipid	0.15384616	1.3846154	0.0
4	C12 H18 O1 N2	207.14919	207.14952	-0.09547729	207.14917	29298	32070	32015	31046	2380	4487	37716	32308	1852	21961	12295	12474	1067	2738	18504	52844	93385	6541	8674	18517	21829	34185	18163	45650	44891	6379	41705	20296	28359	25245	26972	35742	31703	27972	28295	34570	30555	29535	102828	13225	10821	10053	0	0	0	13893	9343	0	40187	33455	30985	28561	6054	0	1877	483	6526	49145	0	1355	42708	6225	1514	1915	4969	5092	8746	129551	3384	8798	14407	25852	28947	37109	89918	32102	1643	15087	51565	15455	47350	2366	1684	12987	879	4619	57755	13140	14300	241122	22530	5748	88305	11145	19329	0	30870	30800	1523	415	574	30746	10875	12285	4440	43282	1544	0	70362	2800	Unclassified	0.083333336	1.5	0.16666667
6	C12 H18 O1 N2	207.14919	207.14944	-0.08654522	207.14917	4797	4741	5025	4101	1363	702	4829	5634	687	8620	3177	2985	858	515	2730	6567	12149	1240	1989	4126	5775	5072	2516	7302	4511	2190	3539	5401	2860	4312	4049	4944	7937	4075	8768	4215	8844	4163	15958	2729	3173	0	0	0	0	2698	3423	0	6838	3526	5182	4171	1655	0	748	0	1204	7047	0	2080	5566	1301	0	0	878	1651	1659	21159	0	2298	2759	4092	4714	3188	8658	4067	0	3165	6160	0	5808	1300	857	3042	0	0	8835	3190	3012	30577	4598	1151	16333	2823	4984	0	4289	4052	386	0	0	7261	2334	2341	0	7695	477	0	6518	917	Unclassified	0.083333336	1.5	0.16666667
12	C10 H22 O4	207.15909	207.15935	-0.10027685	207.15906	5663	4672	5311	4370	7119	15679	0	2271	2349	0	6199	1486	4541	16895	1502	0	3145	8124	3978	1861	10838	0	1278	0	4106	3632	2055	16295	1427	1963	1893	2350	9215	2369	2333	2823	2589	2043	4886	2487	19121	223851	13732	8798	7391	5247	69056	7964	2340	1633	5468	4562	8862	7655	4007	3800	8454	3132	0	0	0	2643	1666	82869	6531	46123	50157	14413	0	3202	5032	3162	2625	2818	2222	3500	6436	2417	1856	0	2132	3587	2907	2609	3440	9043	1611	32593	10805	6305	0	0	14673	0	2859	7441	6816	5078	1773	3177	8495	2410	1947	0	0	72804	7101	8636	1608	0	Lipid	0.4	2.2	0.0
14	C10 H22 O4	207.15909	207.15935	-0.06509827	207.15907	6729	7816	8858	12980	8632	8797	3853	3049	1649	2049	1945	2223	26493	13556	2157	0	0	2980	1534	2168	1813	0	1101	0	4982	5423	7610	12497	3350	4216	2095	0	2467	2487	0	2501	1537	2353	2525	2683	7371	16025	9503	8413	8299	5496	12870	11687	3091	2378	11227	9462	11963	10887	3228	4746	97042	1805	0	0	0	3249	23285	4610	239755	484671	89674	5045	0	0	2800	2081	2943	3377	2451	1691	8919	1789	1962	29769	8718	3437	3720	4118	51287	163784	0	6596	5093	4262	5252	4878	0	0	3665	8232	10044	9005	6551	18542	104836	2059	2483	3714	0	12110	47705	14075	3015	0	Lipid	0.4	2.2	0.0
18	C14 H22 O1	207.17435	207.17458	-0.034884375	207.17433	16723	15252	12739	13687	12590	7357	173063	6611	4648	6055	8614	5014	7842	49195	5673	11167	17801	4573	7529	2445	3785	7806	4537	3397	7136	39732	175398	10647	8026	6760	4428	7073	7432	7485	3071	4667	7413	6918	16059	5080	11139	10045	6942	3036	3101	4099	7345	3868	7657	4403	14108	14289	9590	3902	4126	11310	12817	10642	3764	15315	14944	5420	15593	2916	29192	11725	21426	15761	4928	6157	15302	3870	5846	6720	13714	4648	3727	3870	11719	20170	4051	9220	79944	319209	9037	8654	16714	5812	8737	70705	14401	18734	18240	5953	8534	3323	12886	10691	11940	11664	14737	3527	3049	7231	4664	9570	10094	4026	9109	6246	Lipid	0.071428575	1.5714285	0.0
20	C14 H22 O1	207.17435	207.17456	-0.05561379	207.17433	34383	42164	37952	29566	28871	23244	175297	19262	11526	27924	31081	15114	20636	115518	18817	28899	50420	16252	20137	31510	33005	35134	12005	13380	21217	58259	190633	41405	18836	23057	13489	17015	23724	18643	19888	22971	23663	15390	44449	12451	28266	23789	15836	6984	5484	19443	27827	7681	19364	17506	35820	38627	23800	9043	17572	33055	25150	39166	14296	37862	29987	12511	40463	13521	64171	25707	50516	48191	15739	16805	25161	14514	16940	22287	35575	20478	6900	12472	23520	72562	8392	22629	99720	209362	34186	26702	47015	18948	23669	114009	88895	57250	41968	29819	22419	7873	34984	33245	35463	38002	47564	23882	12988	21325	24442	26843	38534	6954	23578	13782	Lipid	0.071428575	1.5714285	0.0
10	C13 H22 N2	207.18558	207.18576	-0.23657756	207.18553	0	0	0	0	0	0	0	2219	0	0	0	0	0	36309	0	1321	0	0	0	0	0	0	0	2035	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1629	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1302	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.0	1.6923077	0.15384616
24	C15 H26	207.21072	207.21088	-0.026241545	207.21072	4743	5606	3692	5460	2017	6251	139947	0	0	1732	7298	0	0	122405	0	0	3253	0	2090	1731	0	0	1322	0	0	18284	142158	12876	0	0	1158	0	0	953	1860	0	0	786	2867	1420	5162	2710	4300	0	0	2358	5890	0	1132	1408	4917	4258	1234	0	0	10456	15809	0	1265	6986	10037	3538	23176	0	102952	1393	11198	3502	3184	2163	3542	906	0	1368	0	1045	0	0	1065	15480	897	7648	24247	60124	0	0	0	7611	1389	2625	5613	4379	0	0	1980	0	4691	7675	13685	0	0	0	1208	7601	3684	0	0	0	0	2958	Lipid	0.0	1.7333333	0.0
26	C15 H26	207.21072	207.21089	-0.059565023	207.21071	6359	4851	4678	3094	2568	3664	43283	0	3616	3458	13380	4540	0	42381	0	0	5425	0	0	5005	0	2341	0	5465	0	11297	48899	22397	0	0	3139	0	2528	3112	2553	0	2466	5702	6368	3632	8530	0	8444	0	0	5077	9156	0	2911	0	3948	4591	2893	0	0	6276	6376	3240	3839	9905	6438	5988	5412	2229	53545	1777	6110	4995	11434	0	5574	0	3119	0	0	4412	0	3754	3049	29008	3620	9515	7033	10781	0	0	4478	17451	0	2739	10041	10272	0	7443	0	0	4846	4993	11699	0	0	0	3816	7499	9954	2281	5188	0	3617	2151	Lipid	0.0	1.7333333	0.0
6	C7 H5 O3 N5	208.04651	208.04683	-0.010298125	208.04651	4252	5098	2155	3754	9936	5294	0	3623	7160	0	0	2768	2934	24816	2099	11857	0	5264	1639	0	635	4438	3660	8154	981	0	0	0	3095	2928	8991	7510	2261	6471	0	3188	1189	2708	803	0	0	10494	0	0	0	1553	0	0	3712	3535	5154	4193	11507	0	902	806	4225	12827	0	0	9031	0	13786	887	9889	4827	18449	1115	0	0	0	3875	4946	2333	0	2544	0	1790	1621	0	2252	0	0	0	1173	2320	1983	5522	12550	6803	0	3040	11725	0	0	0	3968	1550	7295	0	850	2787	2370	0	0	20791	1850	0	2949	6223	Unclassified	0.42857143	0.71428573	0.71428573
4	C8 H10 O4 N1 Na1	208.05803	208.05847	0.008007204	208.05803	0	0	0	0	0	0	0	0	304	0	0	0	0	0	0	586	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	486	0	0	0	0	0	0	0	0	0	273	0	0	0	0	0	0	0	25418	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	311	0	0	284	Phytochemical	0.5	1.25	0.125
6	C8 H10 O4 N1 Na1	208.05803	208.05823	0.41629845	208.05812	0	0	0	0	902	506	0	0	0	0	0	0	0	633	0	966	0	0	0	0	0	0	0	0	0	0	761	0	0	0	0	0	0	0	0	0	830	0	0	0	0	624	0	0	0	0	0	0	0	0	0	0	636	0	0	0	0	1455	0	0	0	0	0	0	0	0	747	0	0	0	0	0	0	0	44943	906	0	468	0	0	0	0	0	0	0	0	0	654	1166	0	0	0	0	0	0	0	0	0	0	0	0	0	472	0	0	0	0	0	0	0	Phytochemical	0.5	1.25	0.125
10	C10 H9 O4 N1	208.06044	208.0607	-0.012812127	208.06042	64595	67103	55985	58692	98899	80337	60019	65594	84221	18246	24616	53276	126507	69128	55051	96801	88462	150423	134603	19939	16040	54649	55262	71630	46938	4547	69461	23197	80813	63084	65240	80433	135853	68037	27814	61333	126359	58345	129172	13476	13901	70350	7189	5996	8208	23166	11325	7756	81199	52466	63968	70253	92002	7351	88419	56428	44307	104078	12237	17517	105419	7678	98979	88168	44066	118908	70410	114149	9006	13343	10685	50428	55085	47618	73272	75399	5602	54613	68881	22198	53818	19555	16376	7690	70771	59184	82292	88391	100393	126311	34784	26901	109563	12699	14065	8118	64919	64972	57194	66778	70719	106469	53507	23108	0	85428	62226	7753	55401	163281	Phytochemical	0.4	0.9	0.1
8	C10 H9 O4 N1	208.06044	208.06073	-0.014271913	208.06042	60446	60072	43443	57837	92402	76944	45944	47786	92869	13256	18116	42357	120422	58446	50537	71657	83625	126658	143944	17223	20147	53810	55798	63132	37885	4809	50818	14754	54051	42827	48956	62104	91875	55419	31015	48632	90181	47079	99779	13265	13871	77202	5768	4854	6405	20802	15147	6398	62011	39876	53954	58441	84525	6329	106541	56977	54616	81984	14632	13147	66948	8812	113896	112319	47466	115890	70469	87168	8870	12139	12704	45391	46837	34252	53032	54922	4907	42948	62419	16391	49780	18189	14792	7516	73567	43263	72111	91642	101771	115052	21813	24838	89527	14816	13618	7566	59177	55161	60588	85624	71771	82447	45845	21294	8239	74876	65132	5268	42987	157068	Phytochemical	0.4	0.9	0.1
14	C10 H9 O4 N1	208.06044	208.06068	-0.031937517	208.06042	43545	39927	36117	42867	65307	48254	44131	43390	44111	5964	14923	39929	46705	44466	42671	59087	67016	59569	57602	10932	7249	33245	38541	52148	38272	1557	41665	12899	46648	43939	56922	64853	69391	74129	10114	53947	73955	41102	70204	9680	8880	49140	5977	6226	6339	14508	7872	7126	60601	32357	38329	40199	56977	5379	34626	23689	27953	75237	5462	12696	58411	3423	43540	46700	25119	53726	47142	73252	0	3800	5949	55060	56907	45939	42493	59654	5411	43931	43380	28955	43173	10695	10933	2524	33984	28959	58520	63057	74658	87610	23573	17376	60086	7738	7004	8260	36607	38953	30183	32259	29363	61061	41423	12124	0	69115	29503	5688	49555	59140	Phytochemical	0.4	0.9	0.1
12	C10 H9 O4 N1	208.06044	208.0607	-0.019424383	208.06042	61325	70234	69608	75295	72316	61648	66834	81615	54466	18060	19873	52969	64289	51499	51838	119782	98632	101071	105165	17974	12611	51394	61772	77540	47360	3452	62617	16909	104578	91326	94116	120920	118431	105452	22766	86547	119909	52608	115493	12420	9596	78898	5327	6499	7547	23965	11599	7104	107439	75506	78509	71545	71946	5915	61694	32516	40505	106912	12940	10240	91483	4742	75361	56872	36010	87288	69712	100109	0	10660	9752	81731	96266	76963	88318	112096	4349	62464	60891	32452	53973	17351	15929	4980	39908	41335	78128	89931	87783	116807	51352	49261	95425	14590	19956	9014	62458	70985	41176	41169	37238	114392	58927	21421	0	103755	39664	5640	54951	109952	Phytochemical	0.4	0.9	0.1
6	C10 H9 O4 N1	208.06044	208.06075	-0.015679706	208.06042	35110	42158	30012	34487	59491	37049	24815	29906	66236	13038	13640	26084	72875	40011	28120	44794	41329	86443	87960	13667	16467	28166	33333	33061	20096	4160	24716	8588	30061	21387	30259	34055	56230	31737	20820	26466	47414	25163	56875	7839	11122	46201	5594	4446	5622	15937	13918	4786	32257	25936	35453	40102	56455	6402	61512	42565	38981	43475	12904	15943	46301	5607	91512	48500	28223	76741	48551	54889	8353	8232	10071	24684	25677	20665	22485	30380	4355	20573	28076	6025	29289	13681	12938	7035	44075	36223	34816	56777	65885	62713	13339	16181	56898	9741	10382	6849	32471	32157	37711	50575	47086	55450	32915	16757	9680	44259	41112	5113	21439	130852	Phytochemical	0.4	0.9	0.1
2	C7 H13 O4 N1 S1	208.06381	208.06415	-0.021187607	208.0638	1934	2249	2263	2629	2873	0	1319	5552	1383	1729	2907	1107	1805	5110	2956	1224	876	1464	2226	496	551	2185	9791	2781	1634	0	0	31886	5587	4108	4924	7672	7237	3930	1147	5205	3145	2612	1400	0	0	5022	0	0	0	1557	219	0	3032	3132	2689	2348	6129	0	1511	1127	1307	10084	0	207	1292	0	2442	824	0	3333	6527	1171	0	744	0	4036	5391	5663	246	5678	0	4542	976	18447	2897	0	0	0	980	6213	2599	2708	4862	2136	10813	6487	4297	1541	403	0	3242	2992	5240	613	804	3197	2894	253	290	5512	1631	0	805	2063	Peptide	0.5714286	1.8571428	0.14285715
8	C9 H9 O3 N3	208.07167	208.07196	-0.045429874	208.07166	7755	6752	5441	8112	6208	5041	5644	9220	5789	2597	3093	5819	5546	8804	5658	13709	7711	9172	11197	1410	2168	8623	6220	11155	4725	0	5564	0	5428	5211	6153	6636	9058	7843	3374	5060	9904	4790	15482	1761	5846	7458	0	0	0	3845	2086	0	8388	8616	4978	7658	7094	0	6061	1943	6216	9095	1857	3565	9134	1324	5288	3440	7706	6485	7549	12987	0	0	1995	8837	6227	3618	6159	7517	0	6102	8554	0	7719	1784	2230	1161	2970	0	6302	9027	8983	27422	0	0	25291	1601	3234	0	6538	6463	3416	1959	2117	9603	5441	3184	0	13299	4096	0	8725	7812	Peptide	0.33333334	1.0	0.33333334
8	C7 H13 O6 N1	208.08156	208.08191	-0.064381406	208.08154	0	0	927	1547	0	0	0	0	680	0	10691	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16930	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	310	497	0	0	0	0	0	0	0	0	394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	423	0	0	126282	0	0	0	0	0	0	0	0	0	2974	0	0	0	37232	0	0	990	926	0	0	0	0	0	0	0	0	0	0	0	0	A-Sugar	0.85714287	1.8571428	0.14285715
0	C7 H13 O6 N1	208.08156	208.08192	-0.07869865	208.08154	0	0	0	2072	6601	0	0	3894	2761	0	0	0	26700	6645	0	0	0	12780	5838	0	2599	4971	2056	8497	1388	0	0	0	5901	1838	5865	3239	17732	4593	1889	2670	7219	0	744	0	0	1527	0	0	0	2575	0	0	4176	0	2079	0	5889	0	4174	2228	0	17292	538	0	2720	0	32025	3577	805	9585	11375	0	0	0	0	5069	4427	2880	0	3583	0	1543	0	0	0	0	0	0	1320	0	1683	3186	5543	0	2660	1506	5502	0	0	0	0	0	1103	1408	1068	3326	0	0	0	23132	1575	0	0	38443	A-Sugar	0.85714287	1.8571428	0.14285715
10	C8 H9 O2 N5	208.0829	208.08315	0.077651724	208.08292	5126	3695	3739	4677	0	0	2395	0	0	0	0	0	0	0	0	0	0	106741	325224	0	0	0	0	0	0	0	2911	0	0	0	0	0	2939	0	0	0	2336	0	1337	0	0	0	0	0	0	0	0	0	0	0	3335	4217	0	0	2197	0	688	0	0	0	0	0	36460	2050	2654	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	107691	18435	0	13857	7629	0	0	0	0	0	0	0	7081	4810	2208	1438	1441	2730	0	0	0	0	3656	0	0	1137	Peptide	0.25	1.125	0.625
6	C9 H14 O3 N1 Na1	208.09442	208.09482	0.27263284	208.09447	667	0	0	0	773	660	0	0	0	1082	0	0	0	366	0	0	0	0	0	0	0	0	0	0	0	0	597	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1664	0	1167	878	0	0	0	283	0	0	463	0	0	4031	0	0	871	0	1334	1130	0	1034	0	0	0	0	0	0	38174	0	0	0	0	0	0	0	0	0	0	0	0	623	0	0	0	0	0	0	1615	0	0	0	798	0	0	0	0	0	0	0	724	0	0	1419	Lipid	0.33333334	1.5555556	0.11111111
12	C11 H13 O3 N1	208.09682	208.09709	-0.07129265	208.0968	231129	287897	258671	257573	141672	124980	256488	279300	100521	113993	100816	178819	97212	127026	158871	446440	338992	196790	213962	143148	114651	202514	147206	319850	152104	35266	299749	92045	288001	356242	258510	450574	416438	404132	114360	346702	477050	161103	420363	112887	168924	165386	13620	12295	11260	124531	137096	13621	437680	288563	244860	261741	155714	9934	122716	63366	96737	411424	73912	114992	314663	61132	115526	96754	76145	157901	136502	381266	31832	51023	63511	323199	375471	332018	441677	376551	7764	209591	145558	135696	143451	95165	113393	80948	72444	94961	187445	229147	197261	308935	327077	220908	340334	73668	152211	13667	250477	256159	98877	75081	71930	539283	187469	156490	46737	268437	102106	12353	161993	169448	Phytochemical	0.27272728	1.1818181	0.09090909
8	C11 H13 O3 N1	208.09682	208.0971	-0.068899736	208.0968	153095	187532	124542	171287	134356	114035	172453	182050	132298	90586	72323	126753	126633	68546	134513	243352	300266	182416	234187	121005	120951	182137	129511	191676	128831	49389	181336	67998	180512	160544	152878	217483	245320	171400	144507	172178	266537	123351	349769	102786	131085	143586	10305	10715	11399	106948	122564	11245	226671	157368	151003	160396	147833	9970	173161	80596	97572	214844	103458	126847	199348	64902	127146	126419	73358	141208	130277	311829	45498	68813	68492	156326	155452	129047	181796	210540	7844	117508	167811	88158	127025	102206	134011	75939	98280	96130	185785	157441	171542	336852	135175	139990	304203	85728	111240	11983	161575	159108	99350	94021	90661	247160	124264	149494	42903	204758	116020	9280	153868	174915	Phytochemical	0.27272728	1.1818181	0.09090909
2	C11 H13 O3 N1	208.09682	208.09717	-0.05744311	208.0968	150770	156429	124365	145545	205062	143713	105156	163753	166574	88557	78084	127162	231020	94093	102448	156581	215536	260115	231368	108644	121379	154592	96318	136030	72644	26079	100879	50698	195843	149091	165670	210826	284499	184520	122880	187978	233007	83425	213345	75200	74922	175032	8551	9084	11393	65363	58319	11057	203231	121445	132517	147875	207046	8530	194585	100614	102667	199504	34632	66838	158718	29309	206278	189068	80696	220324	178008	247394	36961	55726	59941	150688	199055	170541	177959	181667	7683	102907	77307	30539	64147	35557	38236	35149	94582	91443	75529	218792	223124	206828	69713	68009	245848	41872	59832	16901	146378	150356	110786	124915	123608	236264	122049	97480	36217	201110	114705	9313	72364	290395	Phytochemical	0.27272728	1.1818181	0.09090909
10	C11 H13 O3 N1	208.09682	208.09709	-0.061770316	208.0968	240897	223696	205632	205689	150109	143624	271090	373395	142172	101112	89147	232456	123647	93057	207284	441990	379107	248283	264914	125618	123683	197168	192808	368045	206999	42979	313276	80810	337827	332696	323103	390113	493660	354788	121358	340015	446932	212736	489114	109641	145630	181026	14521	11943	13333	113077	95290	13731	375142	312284	225703	245426	184919	14247	159129	77101	91440	433344	95390	131458	405879	62632	119324	134588	85618	170956	159201	451275	57292	53863	62253	344010	336215	318930	349192	333197	9864	207725	215565	92697	225768	93656	117875	67356	113110	136207	244742	201481	219223	403743	156711	146811	378975	78455	130045	13602	216278	222441	100766	94003	93632	420044	222454	150524	36632	317824	122930	13623	215799	184961	Phytochemical	0.27272728	1.1818181	0.09090909
14	C11 H13 O3 N1	208.09682	208.09708	-0.05170032	208.0968	157964	165497	159083	180945	164970	138594	190342	176481	74271	67803	63119	150385	74833	148255	108565	236155	233231	193294	144086	62180	58562	121895	109466	206007	123073	13889	192073	53567	189177	206434	180550	299623	295128	302767	83097	227574	336491	102944	251632	75354	91759	135540	10916	10850	9928	58753	54382	12983	278871	158100	159518	140925	186339	9341	73795	49493	92268	348498	50192	87710	177437	30848	81094	70810	60333	140665	149541	275783	15076	30341	31356	249193	304453	216019	208385	235434	7981	133656	119833	71909	117775	47828	82147	55538	66190	63647	149669	220289	209615	267846	143416	110201	246695	43157	68655	13440	166761	133431	66264	56709	56297	234253	145895	96029	23163	257908	69999	10974	160648	91321	Phytochemical	0.27272728	1.1818181	0.09090909
6	C11 H13 O3 N1	208.09682	208.09712	-0.06770603	208.0968	174789	193933	157157	175632	144342	131566	165586	222707	130972	108527	85304	159799	130006	76853	162837	265818	268985	224758	224865	115471	130192	186192	168098	218946	115395	66116	149229	67350	194809	183873	203100	217713	297390	203965	144349	187012	279947	158850	350982	81989	135475	160104	10588	10144	10219	126701	132081	9054	252282	184202	194549	178741	164351	10073	157378	86495	103050	266907	82884	136403	246659	62912	143770	108246	69710	156608	153392	344012	63170	98055	113676	184990	176777	169847	185206	199725	6953	134603	142451	68983	146946	92488	113408	76493	97155	106840	165333	154625	182755	363504	116181	126294	295840	93078	123771	10569	166459	152413	83782	101954	115279	278302	158770	145485	54705	208537	102338	9261	125284	191381	Phytochemical	0.27272728	1.1818181	0.09090909
0	C8 H17 O3 N1 S1	208.10019	208.10033	-0.7213554	208.10004	0	0	0	0	842	0	0	0	0	0	0	0	0	0	0	0	0	0	1084	0	0	0	0	0	28150	12315	0	7710	2116	0	1672	0	1431	0	0	0	0	0	0	0	0	3463	0	0	0	0	0	1333	0	0	0	0	0	0	435	0	0	1455	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	362	0	6145	3455	5412	7865	6722	5160	13927	0	7101	0	2740	0	0	1219	1517	0	0	0	0	0	0	22074	6522	0	0	0	0	0	0	678	6060	0	Organosulfur	0.375	2.125	0.125
6	C10 H13 O2 N3	208.10805	208.10835	-0.08394111	208.10803	11342	14358	12324	11335	4918	5178	10315	20760	3997	5858	5117	9547	3961	2555	11184	25603	18640	8018	9118	6144	7637	18283	12498	24436	11901	2165	9862	3660	12486	12680	11140	11748	14357	14221	8022	11555	16427	12168	28124	6186	10770	7981	0	0	0	9442	8253	0	15862	12559	11858	13420	8992	218	5431	2037	4516	22284	5924	12305	23156	4431	2269	3910	4345	6323	7326	26714	2358	4023	4904	11511	10724	8687	10912	13627	0	7747	12736	4740	12089	5342	9688	5424	5044	5395	14337	10396	8044	53737	8756	11164	50227	6873	7680	322	11103	11034	2787	2062	3741	14858	8491	10762	0	22013	4279	0	17478	5477	Peptide	0.2	1.3	0.3
8	C10 H13 O2 N3	208.10805	208.10832	-0.10968157	208.10803	7263	8274	5695	9526	2699	2677	7747	8622	4001	2394	2730	6323	2119	1410	5943	13923	15218	4561	4358	3506	3596	11255	6028	16181	8883	2150	10291	1901	6459	5660	7510	9492	7904	6812	4275	10326	11085	6771	19574	3407	6584	6826	0	0	0	4446	3056	0	10067	8689	6230	7872	4993	300	4397	1280	3576	11134	3804	5500	13236	2548	2401	2373	2851	2591	5025	16368	0	1995	2655	5690	5776	5171	10613	8190	0	6529	9665	3705	8048	3649	5347	4059	3768	0	9847	7014	6959	34324	0	0	28247	4872	6796	375	6040	7169	2957	1490	0	9602	5398	7067	0	10370	3563	0	10687	3800	Peptide	0.2	1.3	0.3
4	C10 H13 O2 N3	208.10805	208.10837	-0.13757503	208.10802	11933	11206	9904	11065	6037	3964	6131	12209	5090	5457	5071	7217	6444	2812	6979	19559	22005	10463	10616	4372	6661	14688	8613	16993	6515	2662	7812	8338	8791	8640	10849	10998	10708	12055	6474	11078	12866	8936	24886	5521	10435	8078	0	323	0	7769	7931	368	11860	10562	8967	7658	6786	213	6515	4221	6444	17259	2943	7638	18668	4921	6500	5785	4605	9433	4981	25395	3322	3616	4770	9073	7818	7854	13933	10202	0	5466	11125	21200	8435	4269	4947	4919	6745	7789	15143	9447	7855	43712	11316	7433	31418	6040	5330	475	9272	9090	6268	8101	7220	12634	6771	6365	4515	15770	7507	0	9720	6295	Peptide	0.2	1.3	0.3
0	C10 H13 O2 N3	208.10805	208.10841	-0.1836932	208.10802	23644	24066	24207	20779	20679	18051	48446	35187	21756	13329	9410	26507	11416	6308	38127	27714	106931	54798	55692	17070	31675	36363	39063	29134	19519	2787	40059	10734	52182	17764	31837	35059	84417	39361	27665	32123	69574	34538	98509	12120	10201	19562	0	0	0	12127	7101	0	55272	24116	21120	19788	45746	0	20872	6627	32797	63171	5017	8135	29435	6216	12233	20685	36264	29359	48721	96160	2217	8879	6095	30319	30532	11490	55466	29690	0	22535	34064	7958	27984	6712	6156	4363	12924	50568	32889	62548	55178	69269	11100	9258	92175	6166	7972	573	17972	28588	24100	5030	8871	75878	16057	13722	8541	83577	24052	0	27056	24294	Peptide	0.2	1.3	0.3
2	C10 H13 O2 N3	208.10805	208.10838	-0.115230985	208.10803	22938	22855	22060	23431	22065	16330	15354	25883	20890	17431	14673	13923	20406	9141	16247	27076	34054	27963	35115	13672	18499	38879	20832	38332	25438	4640	9922	12692	25035	15721	25826	24599	31367	18623	25585	21958	29468	16993	36708	16119	16346	20541	211	0	0	13284	13900	0	29242	19660	23913	21134	26790	0	19863	7701	12883	39293	4367	11938	28661	6154	19326	15515	10660	27100	26318	38411	3803	9645	7138	22327	19840	11460	21771	19320	0	13588	20061	10228	14971	6685	8095	9379	13467	16628	23975	36204	30368	62993	14850	15872	99032	9682	8347	0	21138	21535	15320	9333	10333	25652	14731	18226	7505	44591	18644	0	22640	22944	Peptide	0.2	1.3	0.3
6	C8 H17 O5 N1	208.11795	208.11826	-0.06934919	208.11794	1505	906	1073	1116	866	0	522	0	2876	0	0	599	9252	78134	733	0	1624	1216	0	0	0	0	1171	744	607	0	604	0	672	660	0	0	0	0	0	618	737	1041	1106	0	0	801	0	397	411	0	0	298	0	849	1080	0	474	551	1098	2503	1057	0	848	513	0	0	0	0	2468	1164	1177	1704	0	0	0	0	585	1130	0	524	561	893	745	0	552	545	479	0	803	2753	833	938	0	1937	0	0	0	0	0	0	1231	1922	10765	562	1541	1091	778	0	20256	0	3538	330	1076	0	A-Sugar	0.625	2.125	0.125
8	C8 H17 O5 N1	208.11795	208.11821	-0.029328534	208.11795	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	792	20563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	831	645	679	0	0	523	0	0	0	0	0	1105	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	559	0	0	5362	0	0	0	0	684	0	0	0	0	0	0	0	0	2070	0	623	0	0	0	0	0	0	0	0	0	0	0	619	0	0	A-Sugar	0.625	2.125	0.125
4	C8 H17 O5 N1	208.11795	208.1183	-0.032675277	208.11794	445	0	640	779	759	601	1018	823	1166	0	0	468	2615	965	1180	581	2351	1732	614	0	0	0	582	402	601	263	0	0	1074	882	474	0	755	1081	0	1055	1026	420	1832	0	0	1188	0	0	286	0	0	0	0	743	0	439	461	403	727	1629	853	428	803	511	713	944	841	858	1290	1588	665	1116	0	0	0	1466	700	1224	0	556	420	1201	517	0	599	512	604	355	1186	971	861	1904	527	1120	0	0	977	0	0	0	0	1182	722	1666	2153	1495	529	0	21713	0	1847	0	585	728	A-Sugar	0.625	2.125	0.125
0	C8 H17 O5 N1	208.11795	208.11832	-0.16762523	208.11792	3770	4661	3781	3582	9924	0	1461	16093	5425	1771	0	6870	60709	17885	2824	0	1424	28852	16177	1538	3989	4173	5464	5387	3304	0	0	2455	34300	5937	24092	11141	79033	20905	4512	10485	15502	2017	2041	0	0	12721	0	0	0	2837	0	0	12655	5570	2736	3633	16717	0	7640	2348	3043	8742	1501	0	3102	0	34517	7507	4414	32769	44778	2282	0	0	0	19255	24141	12958	0	13565	0	9420	0	7279	0	0	0	0	2211	1419	1384	13569	16797	2564	0	0	6289	1519	0	0	4337	3084	1589	1470	1645	8838	5912	0	1828	13161	2853	0	0	68412	A-Sugar	0.625	2.125	0.125
4	C9 H13 O1 N5	208.1193	208.1196	-0.020148966	208.11928	2576	2812	2577	2424	0	0	0	14871	0	0	0	1244	0	0	923	9526	2987	0	272	0	0	1012	978	1282	694	0	0	0	4052	9980	11457	1242	0	1464	0	7734	602	1358	1897	0	0	0	0	0	0	0	0	0	7848	10445	2693	2090	0	0	0	0	0	3124	0	0	6858	0	0	0	0	0	0	4423	0	0	0	26247	6590	5296	22278	3152	0	911	1299	0	613	0	0	0	0	0	3896	0	0	66531	1167	0	35106	0	0	0	2191	2186	0	0	0	0	1071	0	0	5443	0	0	870	0	Unclassified	0.11111111	1.4444444	0.5555556
2	C9 H13 O1 N5	208.1193	208.11955	-0.19714081	208.11925	5828	5846	5617	5678	631	0	1195	129384	0	957	3146	14928	0	508	3874	50068	7797	975	582	0	366	3848	1480	11067	3690	0	1425	36689	5951	20383	33698	2348	4859	3067	434	3686	3619	3451	8092	313	0	0	0	0	0	796	387	0	15943	48849	5306	5702	584	0	0	0	0	24179	0	218	33010	222	0	0	0	725	891	9451	0	881	0	32216	11467	35758	6007	15445	0	21272	10444	0	3195	0	0	0	0	0	8548	2628	1471	51901	1164	0	46597	0	855	0	4224	4270	0	0	0	2905	15853	0	0	8095	0	0	4012	0	Unclassified	0.11111111	1.4444444	0.5555556
6	C9 H13 O1 N5	208.1193	208.11955	-0.053840697	208.11928	3537	4104	3111	3097	0	2032	4163	9404	1184	1290	2884	3768	0	1500	4374	17630	10915	0	1223	0	0	0	3239	17101	6828	0	4036	8756	6678	5388	22354	4647	25673	4976	0	1656	26960	4774	17140	0	0	1607	0	0	0	0	0	0	27591	7369	4121	2928	581	0	0	0	591	12114	0	0	14336	0	826	0	0	0	1806	23348	0	0	0	7034	886	0	0	1437	0	4422	2611	0	4849	0	0	0	2091	0	2142	4195	2432	6527	0	0	8934	0	0	0	3026	2186	0	0	0	23966	4300	0	0	11309	0	0	3509	3578	Unclassified	0.11111111	1.4444444	0.5555556
10	C12 H17 O2 N1	208.13321	208.13347	-0.076035745	208.1332	89509	83401	65296	78045	21858	32198	85939	47937	16406	66513	43091	69368	14290	13965	57361	115957	46422	23937	31835	83547	94256	373013	46975	115702	345133	79809	125189	44134	46042	46654	40240	47463	42158	45547	72971	37738	45290	47487	60692	65176	80801	34693	12699	11159	9823	55649	70054	10770	55061	36092	77883	85906	24130	15464	16914	12349	30710	109794	66214	47486	80221	37027	11161	16221	28501	22272	32642	62845	69382	74032	84504	38748	36653	30110	62512	42982	10988	40890	150907	119315	65395	55125	97367	46823	13713	33534	259209	25620	32893	870533	144509	109228	875313	76306	113561	8728	86161	87176	16743	13688	12643	42478	59777	79788	24351	266816	17905	10095	384766	16248	Lipid	0.16666667	1.4166666	0.083333336
12	C12 H17 O2 N1	208.13321	208.13347	-0.089864925	208.1332	79886	95855	93687	96586	34847	32505	50014	41893	21310	182970	103821	25543	18961	30566	20400	90490	73249	28630	28751	203196	182191	142230	22533	58868	32542	113276	64281	78629	38549	69027	42217	80608	57624	71494	145567	70232	92074	23558	83096	109983	188223	34397	10849	10517	9197	98019	213813	10692	88863	57134	88972	97877	31951	17891	16334	14266	19863	76903	36369	100492	57542	62413	22901	17064	17475	36600	28463	64717	65774	102882	134830	49699	62521	75178	123080	80280	8014	27261	24779	60935	21010	80073	77583	77587	17457	19886	31971	44345	30693	91361	167878	145986	76392	87191	258753	8952	96028	96102	23557	16720	16063	108769	27438	99076	46205	56692	25633	9474	40333	33612	Lipid	0.16666667	1.4166666	0.083333336
14	C12 H17 O2 N1	208.13321	208.13345	-0.071602	208.1332	68678	76590	59938	73510	30793	37502	56110	35018	17263	122772	89522	44927	15080	15613	25577	56510	73353	32771	27836	111875	113968	103151	17955	46466	29703	58476	67780	64350	37262	47244	45272	73439	60404	77723	98665	47183	82001	31068	88897	98692	136376	28978	7590	10131	7772	72694	141635	9489	76873	36781	71489	60406	36378	11522	15890	13355	28210	79361	33202	117918	33009	39437	17390	17485	21320	31909	29420	96933	40758	44082	91774	48913	61204	45523	64580	62813	8843	31897	33613	75507	24324	67381	105156	90065	19875	19058	43913	59015	48218	121792	128082	139120	70079	106542	151830	9348	76419	55140	18537	13210	14305	61461	40167	88150	35231	63879	20917	9071	51090	18719	Lipid	0.16666667	1.4166666	0.083333336
8	C12 H17 O2 N1	208.13321	208.13348	-0.06718189	208.1332	44335	55851	43198	47788	30800	35487	40985	51545	20567	38821	28586	34304	19951	18430	29965	70393	68174	35324	41931	37510	41126	59434	30676	58548	32150	33510	49439	25870	45928	49452	42332	58372	57089	56901	48498	53807	61623	30397	83017	42063	57284	37048	8398	8755	8886	40924	44888	8221	60451	47516	43520	49515	33006	10240	22982	12424	20273	63387	14387	31956	57321	24768	17820	19840	15473	31331	31411	75659	25179	34353	39073	51581	49878	47657	59447	57933	8974	34836	33543	43012	26877	30015	24485	29686	17337	17017	48866	35610	38179	123871	65334	44976	98568	35612	53581	7891	47056	42961	18430	15653	17096	52758	32847	37985	14060	62567	20128	8403	43839	25085	Lipid	0.16666667	1.4166666	0.083333336
0	C9 H21 O2 N1 S1	208.13658	208.1368	0.33534005	208.13664	0	0	0	0	0	0	0	2028	0	0	0	0	0	0	0	0	0	0	0	0	0	2755	0	0	0	0	0	0	0	0	2012	0	618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2190	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6492	1172	0	0	0	0	0	0	7389	0	0	27215	2576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.22222222	2.3333333	0.11111111
4	C11 H17 O1 N3	208.14444	208.14476	-0.15245043	208.14441	3582	3346	3157	3788	779	718	2284	3257	394	4845	1883	1771	491	0	1782	5005	6077	1960	1255	5706	6997	7653	1961	3912	2184	1447	2265	0	2526	2147	2359	2697	3696	1990	5428	2994	3722	2204	7945	8155	5640	1343	0	0	0	3083	4237	0	3623	2628	2912	2861	1142	0	366	0	1023	5599	0	0	3616	6668	574	197	1031	1272	919	6337	0	1412	2409	2172	1853	1820	5350	2312	0	1914	5497	4660	3679	523	516	8214	0	958	6198	2522	2107	22881	12171	706	9992	7219	11038	0	3166	2862	0	0	0	2604	1725	2410	0	4057	417	0	3720	625	Unclassified	0.09090909	1.5454545	0.27272728
4	C10 H17 N5	208.15567	208.156	0.002634542	208.15567	0	0	0	0	3188	0	0	0	1496	0	0	0	25813	11543	0	0	0	0	450	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	875	0	0	0	0	0	0	0	0	0	530	2855	0	0	2969	723	0	0	0	0	0	0	0	0	14455	1313	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	277	0	0	0	0	0	0	0	0	0	0	0	0	2498	1379	1448	0	0	0	0	0	2250	0	0	1228	Unclassified	0.0	1.7	0.5
22	C13 H21 O1 N1	208.16959	208.16982	0.011194254	208.16959	6019	8968	8908	7204	5427	2754	6051	4028	2260	27314	23721	1798	0	0	1842	7036	6668	0	0	25305	27152	12573	0	3028	5936	32294	3542	27073	5614	2768	3032	8229	11305	5139	13282	4295	5186	2502	8640	18565	35070	28111	3873	0	1339	37565	78907	0	5428	6109	7180	8515	3073	2969	3525	0	2386	5254	8767	21480	5691	11387	3844	3243	5188	4216	4336	0	26206	32877	43411	2919	3645	4743	5547	5968	1295	0	2807	25551	2870	25472	10101	22764	3419	8551	2704	5968	5131	11416	21841	21694	8112	21306	29130	0	7852	9660	4683	0	5286	9933	2957	18407	27153	13665	4529	0	4718	2723	Lipid	0.07692308	1.6153846	0.07692308
4	C13 H21 O1 N1	208.16959	208.16992	-0.08738564	208.16957	22529	22949	23190	23251	3871	13441	15059	23806	3656	50382	22099	11964	3198	3523	7913	31307	20625	14238	28374	43503	54982	34341	9677	28801	13582	38288	17729	23369	18904	13637	16211	28459	25469	25563	68781	21250	24682	9920	21716	28720	9101	21207	0	0	0	16266	22233	0	29564	18063	24779	20733	9964	0	2791	1092	4367	35270	0	0	29205	12908	3355	3575	3484	9429	16135	34663	27374	39157	51736	19289	18832	23111	33068	18793	0	11884	19337	14383	12766	1585	1271	29638	3839	4341	23452	14662	28917	68597	62868	4072	68993	27679	54219	0	21339	24012	2925	1216	1028	20612	10490	15853	8933	33114	1744	0	19559	5188	Lipid	0.07692308	1.6153846	0.07692308
20	C13 H21 O1 N1	208.16959	208.16978	-0.043402966	208.16959	6093	4609	3453	5800	5361	0	1365	2707	1615	5224	4559	1876	0	2464	0	2817	14679	0	0	3486	0	2751	0	0	0	23775	2606	4945	5211	1615	0	3782	8390	1624	6790	1949	2665	0	18600	12429	25112	36608	3387	717	967	53101	81158	1072	4288	4166	3676	6515	0	2248	0	0	1325	6006	1349	9855	3187	4494	0	1289	1849	4861	3431	24152	16328	18864	37137	3328	1183	2244	7392	2797	994	1046	0	7391	0	0	1151	10193	1397	1745	0	3144	3212	10512	2593	5186	0	2894	3587	1316	1987	3600	1392	0	1334	7687	1917	5396	32408	5272	0	755	0	2106	Lipid	0.07692308	1.6153846	0.07692308
6	C13 H21 O1 N1	208.16959	208.1699	0.013040472	208.16959	3497	5157	5079	4672	897	1105	2624	2209	0	16621	7009	2711	653	1032	1190	4262	3289	2682	1911	11184	11617	5041	1287	2764	3301	9031	4524	7350	3120	3367	2426	5396	8398	5616	20012	4701	7390	1323	3112	8317	1047	1624	0	0	0	5196	7420	0	3815	2261	4408	3947	1368	0	0	423	878	5555	0	0	3385	2061	1270	0	739	1225	1827	6511	8031	14294	18793	2632	3676	4178	5139	4363	0	2018	1195	4383	1286	832	0	8169	0	0	2598	3243	2058	9412	15210	0	8757	6177	12842	0	3077	4399	559	0	0	7544	2726	1585	0	3427	0	0	1630	1156	Lipid	0.07692308	1.6153846	0.07692308
12	C14 H25 N1	208.20598	208.20618	-0.01494069	208.20598	1846	0	1888	0	0	0	0	3402	0	2592	0	0	0	0	0	7301	0	0	0	3658	4816	0	0	0	0	23956	0	0	0	0	1853	3182	0	2032	5032	1980	0	0	0	0	0	0	0	0	0	0	3838	0	2816	3407	1546	0	0	0	0	0	0	4826	0	0	0	0	0	0	0	0	0	0	0	15959	21078	1951	0	0	0	1272	0	0	0	0	0	0	0	2487	0	0	0	0	0	0	5274	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3929	0	0	0	0	Lipid	0.0	1.7857143	0.071428575
10	C14 H25 N1	208.20598	208.20636	-0.00268036	208.20598	0	0	0	0	5032	60441	0	4037	1427	2688	1423	0	2038	0	0	0	0	0	0	2345	1357	0	0	0	0	11019	0	0	0	0	0	0	0	0	2696	0	0	0	0	0	0	2231	0	0	0	0	0	0	0	2663	0	0	1285	0	0	0	0	0	0	0	0	0	0	0	0	25344	0	0	0	4864	7655	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2079	0	0	0	0	4452	9455	0	0	0	0	0	0	0	0	0	Lipid	0.0	1.7857143	0.071428575
8	C14 H25 N1	208.20598	208.20628	-0.028284842	208.20596	1984	1171	1423	1848	13533	4478	0	0	1395	2037	835	0	12862	90587	0	0	0	0	10339	2190	3014	0	0	0	877	3801	0	0	780	0	0	0	0	0	2634	0	0	0	0	1542	0	1781	0	0	0	0	0	0	0	0	2064	1605	3565	0	2435	6191	4374	0	0	0	0	0	4647	1870	3653	10744	7582	1204	0	2339	2053	0	0	0	0	0	0	0	0	0	0	0	0	1578	4089	0	0	1415	4271	1178	0	0	0	0	1427	0	1424	2251	3790	5386	6667	0	0	0	0	0	5411	336	0	1004	Lipid	0.0	1.7857143	0.071428575
0	C7 H4 O4 N4	209.03053	209.03069	-0.4278939	209.03044	0	0	0	0	2989	8929	0	6062	602	0	0	2575	0	0	0	0	0	2413	0	0	0	0	0	0	0	0	0	0	5106	0	5012	2651	5740	8455	0	3629	1800	751	0	0	0	0	0	0	0	0	0	0	1947	0	0	0	1475	0	453	0	0	3090	0	0	0	0	0	0	0	0	2179	0	0	0	0	9638	4446	4286	0	5265	0	2354	0	0	0	0	0	0	0	0	0	2885	2806	0	41334	7833	0	0	0	0	0	0	0	0	0	0	7195	0	0	2614	0	0	0	3025	Unclassified	0.5714286	0.5714286	0.5714286
8	C10 H8 O5	209.04445	209.04475	0.002181335	209.04445	47522	58575	34262	48800	147108	78312	22351	27443	140536	19734	24515	29568	230554	101196	33560	36105	37075	161472	175715	21142	17497	27595	48322	26617	20309	6860	25026	9984	31754	31948	31877	33672	43172	32200	29957	30124	43422	31684	33927	15347	14589	69441	9245	7529	15079	21414	13333	12830	34102	24103	43486	49326	102331	10796	134048	105526	60884	39513	15373	13058	36064	11766	237520	137646	51481	187390	72529	34110	11612	8206	13182	31439	34272	29810	29669	42874	9802	27453	33767	16348	34890	18563	12592	8826	120649	59626	42614	69197	91840	27977	26177	23767	31625	21035	15101	13516	45004	51802	101191	164392	150969	46766	32690	15090	10272	30049	94830	8278	19700	230147	Phytochemical	0.5	0.8	0.0
6	C10 H8 O5	209.04445	209.04477	0.025685912	209.04445	25380	33641	21401	28749	93170	38564	14832	19033	78284	10755	16932	16809	123021	53995	15315	22614	21111	88665	85073	13548	15397	21496	26726	17909	13128	6296	13587	8153	23862	18306	19558	19738	32434	18893	17263	17367	27663	14567	25776	8308	13191	40699	8560	6781	13540	16296	9043	11287	19033	15046	30477	30778	61877	10353	62938	74699	37837	25066	9091	11184	23901	5588	129511	62348	32787	101641	38970	27394	13370	8843	9408	18929	22757	20853	14985	23507	8980	14202	17084	5351	23189	14204	10504	5711	79639	40421	20690	44132	49956	16411	17733	15695	15007	11791	11381	12694	28009	32373	55269	99484	116889	30540	22247	9869	10100	17563	56937	8562	12530	142000	Phytochemical	0.5	0.8	0.0
12	C10 H8 O5	209.04445	209.04472	-0.023338825	209.04445	61876	73007	53795	67872	139661	113591	30829	42749	149041	18891	31069	34242	185290	133038	54036	64760	31033	191984	181259	18488	24797	48084	77976	56179	39358	6306	48156	21806	49685	47695	49581	50347	59662	41005	35623	37867	55966	49902	37479	18518	16148	74204	11555	10383	15114	24718	13392	19819	47700	42955	69451	72000	110708	12622	150263	90580	64776	70052	17662	13232	60143	9742	231754	123541	51728	192232	84717	37572	0	17628	13099	36184	44506	37263	31924	49596	9607	39706	51502	35848	68692	24495	15073	8489	110041	70972	73547	71542	96775	45255	38884	36290	42770	24624	20943	19254	66920	62162	88471	114694	114163	56818	41875	16514	0	57022	85773	13798	33862	243765	Phytochemical	0.5	0.8	0.0
10	C10 H8 O5	209.04445	209.04472	-6.40687E-4	209.04445	71253	66567	55671	57197	196113	115016	34873	40455	179527	23828	30863	42457	282943	144571	45542	52243	37255	233400	213346	22314	29050	42844	95175	49642	36458	7790	34139	27975	47791	45958	46183	42831	76255	40071	38844	38505	63880	48486	36259	16038	18921	81288	14882	10394	16915	27891	12864	17325	44660	30602	66767	64894	126748	15496	164953	129152	64108	66634	19428	15577	59465	9139	261018	151652	66618	265936	97274	42738	11653	12081	11985	42872	45333	38392	35450	45599	12135	36469	58767	33733	61385	21703	14522	7365	157671	92120	65533	82762	107033	44791	28990	29686	43849	27645	23545	19267	59940	65461	112977	169184	183338	58596	48736	21842	0	55207	109459	12598	33875	288852	Phytochemical	0.5	0.8	0.0
14	C10 H8 O5	209.04445	209.04471	-0.013506275	209.04445	46092	49833	34324	47282	107591	80280	37205	33028	105708	18344	22423	27152	159610	104401	36705	33486	24656	132978	102703	16633	14418	34719	53389	33955	29205	5526	26284	17607	27012	29707	35628	30418	48304	26216	29011	25475	45630	36308	28252	14830	16114	45593	10812	9593	13675	23023	16810	15072	31253	22433	39881	41302	81759	9494	101822	71105	49667	46137	12138	13750	35101	10328	145192	83126	46598	127884	57313	28764	13196	10856	9952	25633	26916	24920	18761	35234	10862	27934	46245	23972	51206	22341	14005	9808	78768	51079	54507	46183	68296	26430	26397	30041	36399	16107	14454	18589	39746	42121	60814	95064	100316	31577	30163	19563	0	35400	59610	11384	27022	139964	Phytochemical	0.5	0.8	0.0
10	C9 H8 O4 N2	209.05568	209.05595	0.028589746	209.0557	7226	8034	4037	8670	14097	11245	5129	9036	12083	0	1997	8930	12227	5571	6508	11152	11442	18749	19045	0	0	11668	13980	11298	5791	0	6643	0	6511	6113	5656	7025	13043	7804	0	4434	14413	7779	15965	0	1584	10463	808	720	872	2159	0	1199	9359	5819	8514	7776	13649	1099	12444	5497	7157	11790	0	0	10526	0	14719	9500	6193	11887	12841	14720	0	0	0	8055	5679	3021	6611	7354	745	6440	7561	0	6899	2456	806	0	4676	5603	11552	19481	12531	26295	0	4483	23261	1180	1092	1261	8247	9854	6748	4344	3311	10616	6910	0	0	17672	5505	709	8406	19635	Unclassified	0.44444445	0.8888889	0.22222222
4	C9 H8 O4 N2	209.05568	209.05602	-0.022051794	209.05568	4625	5888	4687	4679	9663	6153	2140	5253	8793	0	1735	3482	9409	5527	3369	3789	6157	15047	14817	2410	1120	6394	4909	5109	3413	0	2452	0	3750	2341	4635	3341	6509	4124	2499	3590	4743	4273	7723	1204	1340	8072	806	601	1036	2378	1018	965	4076	3698	5718	3986	9852	1048	8837	6050	6793	6622	1302	1260	7564	0	15670	9133	6777	10384	6873	6678	0	0	0	3326	4224	2233	1855	4468	415	2629	4337	0	3941	1675	1232	749	8193	6860	5254	9799	9050	10079	1372	1771	12629	1027	1019	1394	4353	5122	6994	7130	7043	7094	3569	1826	0	8428	5808	882	3875	20438	Unclassified	0.44444445	0.8888889	0.22222222
8	C9 H8 O4 N2	209.05568	209.05598	0.004699423	209.05568	18261	21868	18630	18155	21200	19011	12172	24739	20066	3352	4003	16509	19089	11925	16811	30702	31762	36144	40630	1777	2231	21093	23695	29292	14696	522	16467	2414	20730	15310	20722	24078	35432	23168	6052	17633	33838	16637	37815	1271	1766	27651	753	475	1027	5983	1181	800	24348	14765	19584	18350	28065	991	22929	8065	15694	34806	2362	3371	26906	0	28745	25251	14419	31891	24583	36717	0	3185	0	19727	15925	8985	15214	21163	618	15671	24463	2656	15655	3282	4170	0	12646	10650	26241	40258	33379	66880	0	0	60288	2561	1419	1014	19986	15517	13375	11123	10139	27602	16606	3143	0	37559	10420	740	20680	40572	Unclassified	0.44444445	0.8888889	0.22222222
6	C9 H8 O4 N2	209.05568	209.056	0.002012998	209.05568	13616	18501	12266	13618	21420	14580	8119	19586	19720	3300	3636	14965	20962	12226	13672	24816	19648	33540	35257	4231	3382	16567	17079	23426	7914	0	7864	0	16630	15324	17385	17769	29904	15481	5996	14758	24631	12292	26825	1620	1996	22228	927	663	649	5902	1912	644	20333	14967	16016	14834	22794	785	21641	7617	13649	18956	2135	2227	21771	0	28534	20741	13114	23684	21869	31436	0	2351	2554	15706	14548	9669	12784	18144	524	10275	13624	8799	10447	3041	1965	1174	13908	13842	15183	27124	26375	35081	0	7090	36805	3454	1939	1121	13748	13878	10022	10903	10479	27386	15482	6126	0	26225	12772	562	9709	44330	Unclassified	0.44444445	0.8888889	0.22222222
22	C14 H8 O2	209.05971	209.05998	0.10469493	209.05972	0	0	0	0	1759	2659	1249	0	0	0	0	0	0	5381	1115	0	3139	0	2632	0	0	0	0	0	0	0	1921	0	1381	0	1451	0	0	1725	0	1469	1757	0	3014	0	1633	2464	0	0	1010	0	2355	0	0	0	0	0	3578	1611	0	1705	2574	0	0	1175	3238	0	0	0	2259	3966	21959	3884	0	0	0	0	0	0	1479	0	836	0	0	0	1118	0	0	0	0	2923	0	6227	6011	1845	0	0	0	0	0	0	0	0	0	0	1961	0	0	1930	0	2105	0	0	1508	0	Phytochemical	0.14285715	0.5714286	0.0
16	C11 H12 O2 S1	209.06308	209.06332	-0.05214855	209.06306	3826	3723	3258	3129	2872	1950	1664	0	1730	5263	5188	0	1735	2474	0	3370	1961	4420	2832	4738	4917	10659	1621	0	2495	0	2229	5472	0	0	1444	0	0	0	7390	1717	1894	0	2403	4025	7332	1668	0	0	0	4525	6622	0	0	1020	2647	2402	3135	0	2001	1174	1768	2582	3526	5471	0	2559	1963	1930	1733	2929	2489	4774	0	3068	2901	0	0	0	0	0	0	0	2057	16149	1046	4812	3396	4048	2526	1907	2251	4297	4036	0	21493	20665	0	13238	20504	0	3257	3927	1803	1613	1652	0	0	5326	0	0	2077	0	1044	0	Organosulfur	0.18181819	1.0909091	0.0
20	C11 H12 O2 S1	209.06308	209.0633	-0.02538044	209.06306	3063	4328	3073	3565	3382	5116	1278	0	1638	7840	6483	0	3242	2474	1928	2909	4405	4039	4650	7453	5653	6841	0	1915	2968	0	1114	9627	0	0	0	0	1994	2858	7555	1803	2102	1563	3422	5351	2891	2587	0	0	0	4848	4596	0	2171	1574	4453	4325	3375	0	0	1960	1980	3708	6133	6346	2864	4571	2320	0	2032	2158	6394	6274	0	2074	2365	0	2081	1349	2348	2446	0	0	0	9568	1248	5660	5542	0	2629	1690	2319	3288	2729	3159	24615	21800	3432	9561	11539	0	4963	2562	4555	2528	1718	3869	0	7511	4348	0	1781	0	2716	3843	Organosulfur	0.18181819	1.0909091	0.0
18	C11 H12 O2 S1	209.06308	209.06331	-0.049752235	209.06306	8084	5748	3612	5311	3582	6211	2026	0	0	11211	5189	0	5640	3081	0	1531	4566	7263	5622	6892	8084	12159	1766	2027	3224	0	1719	10419	0	0	0	0	3242	0	8409	0	3426	1498	3897	7534	4535	2211	0	0	0	3321	8239	0	2283	0	4726	2651	2861	0	1777	1687	1150	6145	7620	8346	2876	3670	0	2948	2895	5073	3307	4136	0	1496	1905	1560	1435	0	1868	0	0	0	3231	14645	0	4018	5578	3773	3010	3713	5949	5025	6498	3623	33365	27839	3217	10573	16444	0	4404	6051	3554	1885	2767	2247	1898	7524	5460	2230	2320	0	3744	2137	Organosulfur	0.18181819	1.0909091	0.0
14	C9 H13 O4 Na1	209.07843	209.07867	0.50993115	209.07854	540605	551383	457750	555906	869690	758341	496077	538852	971970	283554	257072	332242	1233423	739787	592067	503241	435720	1290232	1006752	391626	361634	368597	500981	347039	532428	124165	482568	311107	639406	545100	507092	682686	897003	604797	439470	598749	755190	497972	496573	262907	214640	591945	105406	81867	86032	273344	213070	99937	593354	377661	490188	477752	806737	76528	1182453	630490	493070	705570	316330	229694	540170	158198	1027488	818756	437512	1033317	713280	457315	148459	219630	182980	494082	566644	569808	414466	581817	73663	429174	434436	299676	404431	257251	320593	211691	709059	504465	523935	529752	723404	394780	591626	571907	505909	201948	250375	123236	558805	575328	643532	739916	779478	680733	449041	384245	184465	456532	585566	91368	377182	1039093	Lipid	0.44444445	1.4444444	0.0
16	C9 H13 O4 Na1	209.07843	209.07855	0.34293056	209.0785	341836	368767	333303	327227	536428	486596	334231	338459	536074	197102	167291	242843	746785	498493	405671	350056	306486	749589	665154	262248	221486	276854	363218	307290	357272	118780	284977	187958	378033	357994	375172	442548	537040	337255	264935	407645	493079	323907	323502	200596	149118	377620	105780	82273	101635	192114	141174	105715	430415	299191	342430	374762	487551	81128	599795	391041	320251	470368	210956	158328	343335	117324	585806	462341	259952	638147	430696	275673	125775	166262	136960	325765	355265	389938	261440	398910	94978	256537	315724	194730	291675	194018	225102	160195	422388	321618	383610	360043	454759	308833	314037	304131	410755	144755	176765	109190	346820	361574	379407	420746	488015	465447	264276	237126	110273	348826	389042	81019	314875	719133	Lipid	0.44444445	1.4444444	0.0
10	C11 H12 O4	209.08084	209.0811	-0.046273317	209.08083	678121	617547	537360	561793	1042377	736401	502434	549370	1016196	413446	348448	430665	1201351	684238	493043	677262	601837	1398220	1242300	505591	461386	415549	506497	392617	431203	166046	515739	356005	741734	621395	529998	678309	960769	653560	517000	619709	902041	454764	1453070	323622	309596	664982	114871	87449	112032	338163	280266	105230	701406	437158	622211	662678	883626	91479	1164684	733822	427043	809702	321531	329603	725940	190162	957843	878218	480210	1186304	695882	1420508	196425	237463	212026	472619	588081	591110	599877	638344	86835	399619	483634	403362	433583	315099	419096	265306	951200	652367	622789	631665	780815	889508	503569	438460	414097	305510	355844	113011	592130	674792	780099	969995	1003189	848510	471952	477995	215056	443080	874684	91626	391040	1256382	Phytochemical	0.36363637	1.0909091	0.0
12	C11 H12 O4	209.08084	209.0811	-0.0538522	209.08083	605306	749817	685847	657046	1035728	812157	605045	580799	1077205	372974	343937	360305	1051995	721633	558250	816421	590794	1469400	1432883	499833	460182	468448	573455	433853	503941	148157	655364	352321	840129	609874	612296	802729	1010698	747943	559649	683478	932661	522496	683300	300244	295383	715881	84507	83821	95358	354352	263299	109944	828556	484561	692595	731490	957073	79726	1340019	682279	555951	818650	329601	314598	790753	203981	1205756	927818	471474	1243880	761246	616840	175422	245858	228663	544184	659550	664985	664823	732467	66202	485104	466956	351095	486026	326559	422577	254691	796782	659635	626574	651290	825328	487976	579739	587252	496153	242323	332254	114412	715995	729580	784001	858902	915961	912204	496855	434044	251524	529982	882008	89408	424950	1515063	Phytochemical	0.36363637	1.0909091	0.0
0	C8 H13 O3 N2 Na1	209.08966	209.09001	-0.14376839	209.08963	6483	7044	7119	6895	8861	0	0	14915	5112	1861	0	2316	8797	0	2941	4204	812	9990	13119	1786	1512	4900	4333	6922	0	0	0	874	12522	7463	16475	11969	10873	15215	3462	11139	13665	2148	965	1512	0	8506	0	0	0	4389	0	0	15164	4732	5531	6758	12887	0	7370	535	1503	14555	1431	0	7397	0	0	4103	0	10839	7806	0	0	0	0	12007	13702	11924	0	10876	0	3105	0	569	0	0	0	0	1612	0	1477	8255	6936	0	30189	18426	9612	0	0	0	6801	4546	1715	549	0	9570	0	2155	0	11386	647	0	1119	9467	Peptide	0.375	1.625	0.25
6	C10 H12 O3 N2	209.09207	209.09238	-0.07331311	209.09206	110842	141398	107838	125871	99625	83756	117015	147154	97117	46801	39523	96676	71840	43092	105870	210034	174638	162812	163175	58219	53127	143123	111091	176850	94895	15948	105797	36250	129442	114500	130457	147636	193412	148507	66665	120817	205400	109205	254469	31933	50200	114673	4099	3219	3248	67004	48645	3573	169714	121259	135242	123261	123350	4320	107882	47137	84097	200566	44856	77814	177373	24263	77940	72952	67797	103297	105975	239930	18049	30883	29316	137075	121458	96802	107477	114807	2793	77326	112321	33241	102445	43107	62379	26359	65551	91887	141108	146765	143182	337544	69984	96467	316854	33247	37526	4681	119829	113416	65526	50013	60343	178311	105774	79219	22529	188034	93424	3091	120888	144959	Peptide	0.3	1.2	0.2
12	C10 H12 O3 N2	209.09207	209.09233	-0.09121677	209.09206	36924	45493	34108	41262	27987	22712	34896	43230	19158	10990	16495	25310	15143	15736	30348	83643	51700	29293	28421	10237	8482	36911	29810	65323	32454	6915	43941	20120	52135	46467	45194	67602	58252	59800	15927	47344	60867	31389	81281	10533	18437	34258	3403	4692	4392	17006	9461	4999	71930	46874	40961	44080	27330	4595	22351	7386	19553	70489	11242	10909	65010	5941	15221	17419	14433	26620	23275	78353	0	9101	8200	48661	50181	36262	77945	57802	2061	25986	33563	37348	30101	13406	14182	7267	11174	14784	40413	37280	31545	91713	69678	62793	70487	12001	14073	5485	41159	41481	13329	10675	12166	71488	30470	16343	0	64251	16125	3974	36005	25392	Peptide	0.3	1.2	0.2
14	C10 H12 O3 N2	209.09207	209.0923	-0.05799363	209.09206	16072	23197	15980	21864	11237	7604	20447	29208	8785	7061	15115	16349	4123	6773	13798	22196	24639	12419	9821	2063	0	17674	15669	17403	12659	2036	21378	21553	21117	17066	21542	30560	23968	30994	6732	20194	28591	12380	34247	5712	7697	13963	3051	3700	3380	6461	0	4688	23586	13234	22968	20492	12961	3650	6328	4308	11944	28018	0	7123	0	2628	4195	7065	7454	11116	11228	34498	0	1606	4022	25019	19404	15823	16631	23216	2464	15307	14375	0	12680	2960	9447	4598	4574	6699	21486	19066	18684	42848	185792	285788	32926	5121	8756	4451	16818	14377	5570	3436	6288	17949	19053	6455	0	28202	5295	4088	20174	4991	Peptide	0.3	1.2	0.2
10	C10 H12 O3 N2	209.09207	209.09233	-0.09068687	209.09206	163001	156495	127262	122997	59169	55632	108893	145416	44810	63083	39312	94314	43528	27415	76456	225642	159594	75045	77166	32891	31585	135877	82191	228936	89524	4929	117251	88974	127903	115819	136657	176377	216421	163886	86490	135417	197755	82919	239832	23512	27078	79669	5398	4988	5062	61880	14666	5663	190277	106031	146422	157747	76996	6150	41413	18638	33198	272924	23234	30409	220720	13353	30305	38198	34617	64869	71626	211201	9881	22098	16237	145280	129738	76937	158296	129269	3291	85645	87428	73313	75893	29596	28661	12099	27374	42263	109273	114734	108590	288466	1827360	1815168	287143	28068	64926	6517	149009	136078	32000	27046	22507	174575	87924	33450	15837	240143	49147	5646	107719	66915	Peptide	0.3	1.2	0.2
22	C15 H12 O1	209.09608	209.09631	-0.027521346	209.09608	9762	10742	6468	5428	16745	8199	5519	7495	2868	0	6393	5073	5784	6119	5632	12996	13602	11940	13342	5548	6887	8556	5879	8757	8278	5127	3929	6080	8877	8242	6148	9165	7725	7139	5231	6705	10452	8839	8359	6818	8852	11288	0	0	1850	9195	10359	0	6004	9995	10284	7194	10543	1513	3636	5279	7453	10751	5425	9735	11462	4152	7406	4982	8225	22868	34095	13031	0	5455	6336	5707	5228	4477	6171	8290	548	5867	7276	13440	7949	6498	5559	5484	6152	8790	9559	13995	13752	12437	10319	7029	14654	8188	8376	0	5494	7995	11087	7759	6375	14651	7024	10026	11288	7369	9486	0	8553	2973	Phytochemical	0.06666667	0.8	0.0
6	C7 H13 O2 N4 Na1	209.10089	209.10117	-0.002593774	209.10089	0	0	4663	0	0	0	0	0	0	4809	0	0	0	0	0	1894	0	0	0	0	0	3180	0	0	0	0	894	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4321	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8211	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51517	0	0	0	0	0	Peptide	0.2857143	1.8571428	0.5714286
6	C8 H16 O6	209.10196	209.10228	-0.021204703	209.10196	243975	164472	314597	287238	122895	85507	61060	68938	57303	385225	318001	56681	115311	149583	45451	61877	46338	98861	58206	212995	341587	156999	39098	132564	66364	77680	61987	1961187	70165	85724	55859	49199	42446	43293	121514	62284	41690	37780	39157	397832	317061	107273	589333	81094	91530	602633	635204	96416	69759	78627	255809	161400	72876	150834	60277	48459	82541	85418	785698	221465	402265	0	192502	75006	147934	238253	331070	73146	244439	258054	317091	68227	65333	90759	9460	45062	98832	41755	43441	3769256	43169	116888	63383	51147	100606	128278	35461	115077	47654	34211	216679	229502	74321	1329204	952501	81906	353959	235284	65519	52110	122843	72019	39493	412500	10932997	66231	80426	132838	39533	79608	Unclassified	0.75	2.0	0.0
4	C8 H16 O6	209.10196	209.10226	-0.1949992	209.10193	210566	285399	134230	145279	64702	30517	33943	24941	51183	188999	234092	35710	32133	110486	26598	40882	22644	26258	23689	62139	54635	183993	26761	55272	25303	43661	69757	328024	21245	36312	34247	47900	28957	33643	173083	28815	36738	32536	29372	248097	175994	46946	89739	60643	70047	146359	161391	77116	29643	24841	177571	234148	40873	67318	30377	39282	63527	48867	92259	84755	266223	116937	83800	32030	59421	152444	51412	27545	84859	132689	117122	36686	36456	30974	7097	43849	68184	35467	36921	802187	55830	96400	56422	40291	35088	38999	34819	107869	63255	44028	358645	119790	17618	322737	282425	88971	94192	161576	56822	48114	42698	27759	36720	133403	1146695	21621	40848	70954	41639	66554	Unclassified	0.75	2.0	0.0
6	C9 H12 O2 N4	209.1033	209.10353	-0.22896008	209.10326	1193	2637	0	5407	1120	0	1044	1616	0	5237	0	994	2135	2990	1588	2951	1537	985	998	0	0	3354	0	1671	1885	0	4232	4058	0	1945	737	0	1826	0	0	1492	1269	772	3463	3119	2911	0	0	0	0	7045	7007	0	1396	1150	1792	2686	1160	0	754	423	0	1453	0	0	1794	0	0	0	0	5640	2336	2544	0	0	0	1415	0	0	873	0	0	438	2010	41483	1326	723	0	0	0	0	1855	988	744	5013	0	0	5234	0	0	0	2682	991	0	0	0	815	676	0	0	0	0	0	2723	883	Peptide	0.22222222	1.3333334	0.44444445
6	C9 H17 O2 N2 Na1	209.12605	209.12637	0.16350447	209.12608	0	0	0	0	932	0	0	0	0	6136	0	0	886	831	0	0	0	0	0	0	803	0	0	0	0	0	0	0	0	0	0	0	970	0	0	0	0	0	0	0	0	0	2774	0	0	0	0	0	0	613	0	0	0	384	0	0	0	0	0	3555	0	0	596	0	0	2007	0	0	0	0	0	0	0	0	26181	576	0	0	0	0	0	0	0	0	0	0	0	666	0	0	0	0	0	0	1723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3222	Peptide	0.22222222	1.8888888	0.22222222
6	C11 H16 O2 N2	209.12845	209.12874	-0.119391024	209.12843	59251	65783	55640	57904	29567	20286	51661	69855	22132	46844	33529	60554	14352	13098	64547	99072	71409	30981	34650	52839	57733	106653	76226	99519	66012	36552	55041	27776	59345	50902	59675	70447	96521	69223	71344	59920	88590	64338	94006	38408	63832	32441	976	614	643	90850	113481	601	79159	58793	64111	60005	36885	910	23371	9079	24882	95975	25536	49557	85264	30082	16393	15312	21944	26823	30145	93409	32461	46910	52016	52419	54771	48114	57877	54136	402	46819	56579	36340	46364	73179	48353	39304	15154	22560	66879	52729	38468	177751	70675	61224	304462	41373	56099	912	56403	55203	14672	11245	13423	96456	63986	61562	39067	186870	21606	550	69223	26461	Peptide	0.18181819	1.4545455	0.18181819
14	C11 H16 O2 N2	209.12845	209.12868	-0.12969187	209.12843	17683	19019	16363	20487	12507	8437	16608	20656	3887	3231	4505	13934	3563	4014	10121	25807	21078	15164	5794	4303	4684	19897	6093	27395	8472	3107	15337	0	12334	18083	19964	25717	23921	31402	6169	20042	31192	7368	22485	5056	4687	12911	0	514	677	5289	6186	776	28266	17324	14883	13349	13191	517	3864	2596	13293	37567	0	7936	26115	0	3040	2963	5188	9947	13942	26509	0	2717	7663	18722	24465	16270	17610	26884	690	14190	10851	0	7021	4232	9933	5135	3731	3816	12947	22066	17960	46154	15405	14630	34792	3781	7135	640	15009	12433	3940	3145	2285	21675	12531	8527	0	37156	5375	713	19469	4181	Peptide	0.18181819	1.4545455	0.18181819
26	C14 H17 Na1	209.13007	209.13026	0.127416	209.1301	10779	8989	10413	7699	3081	4083	2373	0	4607	2768	0	4290	0	4949	0	0	22502	0	0	0	19534	22690	0	0	0	0	3563	0	0	0	6476	0	42482	5095	8435	0	44021	3406	21940	0	121719	0	0	0	0	7224	49300	0	5480	0	8397	6463	3659	0	0	0	0	5157	3481	32646	0	2841	2384	2335	0	11735	0	88213	0	0	23056	7366	7723	0	0	6605	0	5186	2789	0	0	0	2828	0	0	0	0	19276	2636	28038	6470	15162	56783	0	6928	0	7611	9704	0	0	0	26729	3300	0	0	49269	0	0	0	1762	Phytochemical	0.0	1.2142857	0.0
22	C16 H16	209.13248	209.1327	-0.04288388	209.13246	17192	15237	13806	17424	14881	11239	15891	22269	10446	8818	8618	13865	3634	7788	17430	28482	29339	6771	18707	14338	12792	22110	15146	20268	21276	8420	14251	9498	22189	22505	15155	20648	25831	18322	10118	26460	21932	16343	27942	14525	12092	26139	0	0	1582	10753	9547	0	21172	22861	15379	15324	12958	243	9597	7839	9346	27144	12977	10234	24874	6711	9186	8553	8424	11062	16170	30452	7237	15307	10135	14894	13933	17940	21438	22653	0	13580	26893	10771	13919	9728	9568	6751	11564	13758	28235	16008	14783	31869	18870	16114	27333	11902	16520	0	13007	17290	15263	10182	10466	22169	14871	12934	8289	21222	11702	0	20719	7828	Phytochemical	0.0	1.0	0.0
26	C16 H16	209.13248	209.13266	-0.036577754	209.13248	8430	6083	6799	6491	5861	0	3286	8240	4707	4493	5653	5302	0	3394	8349	9189	13217	0	9272	7421	6253	8549	8042	9274	9274	4940	4962	6418	9982	14852	12001	14478	12720	8539	5824	13488	11007	7879	9566	5191	4171	26580	0	0	0	0	0	0	10908	13132	7614	6544	5484	0	0	0	4924	12888	5398	3203	8972	3304	0	3651	3972	4277	5693	11074	0	2912	3413	5525	7410	12113	0	13280	0	8148	9711	6308	6351	4531	5325	4576	0	0	14838	9169	8057	15077	13056	6188	16828	8099	6303	0	8447	8040	6963	5925	6107	16795	7255	7725	0	9742	5189	0	7865	2558	Phytochemical	0.0	1.0	0.0
24	C16 H16	209.13248	209.13269	-0.045677796	209.13246	19207	14957	12845	13371	13284	11202	9149	24801	10334	9076	13355	18065	9583	11320	25559	35266	30094	11178	16635	14135	14476	15647	17559	25561	18584	11564	13255	15343	19868	22078	21140	24891	22472	19421	13619	26607	19328	19543	25350	9311	11695	50506	0	0	0	10384	11310	0	20720	20379	15543	19449	15297	0	8538	4690	13803	28075	14469	13024	25008	7883	9656	8330	8085	9726	18146	25218	6965	8387	9767	16761	14566	18649	21372	20684	0	17773	21961	14208	15667	9301	12184	7295	11402	9090	30749	13209	16298	38373	19029	12419	35220	12312	14671	0	14246	18501	15155	9998	9630	30608	14295	21125	10657	20638	12373	0	20763	6791	Phytochemical	0.0	1.0	0.0
18	C16 H16	209.13248	209.1327	-0.045804985	209.13246	13150	9876	9790	8740	7105	4915	11365	12155	5018	3151	4160	10021	3744	3690	12179	16025	17249	8428	4678	6597	8051	5340	12186	10600	9783	5300	11457	7451	10071	12582	9788	9980	7800	9782	6196	9089	11273	8698	18746	4603	9836	4234	0	0	0	4929	3113	0	15224	14917	10730	10499	6874	0	8321	5922	5827	15423	4483	10916	13151	2151	7442	4944	6051	3942	0	17972	5910	6329	8326	9099	10117	11870	17504	12897	0	7623	13440	8312	12423	8552	8600	5517	6998	8770	14858	7417	6023	22643	8800	8209	17209	4200	5882	0	10680	6581	9725	8192	10170	16357	9949	12866	3732	12616	6159	0	12378	2901	Phytochemical	0.0	1.0	0.0
20	C16 H16	209.13248	209.1327	-0.056683052	209.13246	10976	15301	12795	8725	9694	7045	10452	16369	8148	7922	6629	13268	6575	8506	14576	21434	21294	8375	7989	5932	4991	13959	11588	13565	14589	9103	13928	5065	17549	14318	13218	22346	18574	16380	10194	19981	18481	12523	27604	7688	11373	9863	682	0	0	7741	8158	0	18041	17755	12123	13891	11658	361	8186	6240	8753	24066	12262	12645	15540	4329	4307	5270	5120	6729	12018	24816	5731	8161	10408	11594	12777	19609	22983	17623	0	11683	19013	11500	12806	7147	12525	0	7466	9519	21446	10558	12751	32897	18766	13617	23311	6708	6805	0	14149	10141	9582	8617	13706	24555	15032	16148	6705	18938	8251	0	16809	6803	Phytochemical	0.0	1.0	0.0
10	C9 H20 O5	209.13835	209.13869	-0.108943254	209.13832	6657	5731	5595	4211	0	0	0	2494	0	8218	21641	0	0	0	0	0	0	0	0	1606	9978	0	0	0	0	0	0	0	1034	1459	0	1868	0	1255	2597	0	0	0	0	18335	7505	0	1959	0	964	12898	14028	0	1884	1189	5607	6110	638	2097	0	884	1194	2691	58313	3296	0	25629	0	0	0	1391	1168	1227	0	2229	0	2653	0	3856	0	0	3411	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3646	2226	558	4626	6024	0	0	0	1243	0	4359	1042821	0	0	620	0	0	Lipid	0.5555556	2.2222223	0.0
6	C9 H20 O5	209.13835	209.13864	-0.07978969	209.13834	677645	637178	621078	650362	34400	18715	6785	33233	17540	3437183	3542719	2956	177307	119589	2415	9030	13906	21979	7006	38579	5383285	40288	2455	15046	6719	9766	8031	103727	12276	166191	7172	10266	34613	9392	655552	6222	43033	2487	20745	1024164	589897	27698	347270	2322	4518	767257	986720	8257	15482	9817	681192	526724	33512	33224	34725	11119	56169	10863	3551759	188963	20102	4690590	253740	9682	68666	619985	181361	17030	43272	54932	98299	106720	7606	20144	16724	7012	5884	3350	5406	162779	4786	12312	10852	237827	176560	71498	4673	43672	10282	27680	450914	1743440	36345	616089	147439	5424	703919	739805	21190	42624	86087	57268	3334	265084	36878672	25559	49734	9449	5617	24374	Lipid	0.5555556	2.2222223	0.0
12	C9 H20 O5	209.13835	209.13872	-0.007413198	209.13835	1898	0	0	0	0	0	0	0	0	0	2160	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2193	0	0	638	393	808	0	0	411	0	0	0	0	0	726	0	0	0	0	0	0	0	4912	0	0	0	0	0	0	0	0	0	0	0	2749	0	0	1995	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	529	0	0	0	0	0	0	0	0	175632	0	0	540	0	0	Lipid	0.5555556	2.2222223	0.0
16	C9 H20 O5	209.13835	209.13866	-0.04336636	209.13834	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	569	601	1061	0	0	749	0	0	0	0	0	602	0	0	0	0	2974	0	0	1226	0	0	0	0	0	0	0	0	0	0	0	1460	0	0	2413	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	517	0	0	0	0	0	0	0	0	28592	0	0	607	0	0	Lipid	0.5555556	2.2222223	0.0
8	C9 H20 O5	209.13835	209.1387	-3.6E-5	209.13835	2620	4587	1807	3938	0	0	0	0	919	25179	26525	0	0	3599	0	0	0	0	0	0	22489	0	0	0	0	0	0	0	0	724	0	0	0	0	3079	0	0	0	0	8765	2678	0	1207	471	556	6504	7910	484	0	0	2298	3235	0	424	1118	0	685	0	39276	0	0	40580	0	0	0	1225	0	0	0	0	0	0	0	4804	0	0	2835	0	0	0	0	0	0	879	0	0	0	0	0	0	0	0	0	1632	0	416	3013	2659	13477	0	0	0	0	0	502922	0	0	504	0	0	Lipid	0.5555556	2.2222223	0.0
14	C9 H20 O5	209.13835	209.13873	-0.14224146	209.13832	0	0	0	0	0	0	0	0	0	0	3195	0	0	0	0	0	0	0	0	0	2826	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	643	712	0	0	611	0	0	0	0	0	607	0	0	0	0	0	0	0	1682	0	0	0	0	0	0	0	0	0	0	0	2020	0	0	2334	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	733	0	0	0	0	0	0	0	0	57574	0	0	685	0	0	Lipid	0.5555556	2.2222223	0.0
6	C10 H16 O1 N4	209.1397	209.14015	0.13604791	209.13971	0	0	2285	2719	0	0	0	0	0	18657	0	0	0	0	0	0	0	0	0	0	6196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39098	0	0	0	0	0	0	0	0	0	0	0	3076	0	0	0	0	0	0	0	0	0	0	3198	0	0	1721	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3213	0	0	3668	0	0	0	0	0	0	0	82494	0	0	0	0	0	Unclassified	0.1	1.6	0.4
0	C7 H17 N6 Na1	209.14851	209.14862	0.3373479	209.14859	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10179	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1400	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39532	0	0	0	0	0	0	0	0	0	0	29344	6055	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.0	2.4285715	0.85714287
2	C7 H17 N6 Na1	209.14851	209.14882	0.69792724	209.14867	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4495	0	0	0	0	575	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21426	0	0	0	0	0	0	0	0	0	0	10502	3236	0	2181	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.0	2.4285715	0.85714287
8	C12 H20 O1 N2	209.16484	209.16507	-0.020547543	209.16484	3723	3562	2870	2204	1176	772	0	2077	0	0	0	922	1640	1080	648	0	0	1208	0	0	0	1369	0	1964	0	441	1054	0	1006	1524	988	3614	1465	1080	0	0	2351	1237	813	0	0	1013	0	0	0	0	0	0	966	0	2518	4291	939	447	0	12889	15907	2042	0	0	0	0	0	0	109176	1323	1311	1396	0	0	0	806	0	0	0	1157	0	1053	1098	0	709	0	0	0	0	299733	967	1388	930	1951	0	0	2907	0	0	0	2537	3234	7440	16090	124991	0	0	0	0	1821	125783	0	914	0	Unclassified	0.083333336	1.6666666	0.16666667
2	C12 H20 O1 N2	209.16484	209.16516	-0.1457116	209.16481	13613	16721	16142	13249	3875	0	9596	22886	2236	39842	17359	9576	1383	3164	9911	29982	20689	10625	9631	30344	32148	22711	7416	27748	15122	13423	9301	17837	22918	18740	18666	23186	19254	17650	44896	24666	18699	8865	18490	25995	22383	6731	0	0	0	19554	40050	0	27141	18043	15010	14621	5173	0	1916	707	2737	25999	462	1586	24179	11347	1446	1124	2410	4839	7040	20354	8379	18691	21555	14795	17838	21073	18032	18668	0	11791	12701	12260	9322	7896	3130	20036	1204	3067	15509	6713	8339	48414	36562	14938	48662	15114	30838	0	15910	16904	1832	537	931	13906	8632	23826	14053	22811	2117	0	12989	1596	Unclassified	0.083333336	1.6666666	0.16666667
6	C12 H20 O1 N2	209.16484	209.16515	-0.09206142	209.16483	4461	4790	3658	4541	1911	1981	2996	7763	0	2326	1212	5957	940	704	3978	10287	2453	1779	3258	2110	3030	3173	8893	17307	2026	23691	2127	0	3576	4579	4246	5270	5065	3005	4382	4004	5546	3484	4823	1435	962	1810	0	0	0	3324	1801	0	8645	6999	4297	5461	3074	0	0	1856	6745	12699	0	0	9653	1531	0	1982	23786	1467	1691	5831	29674	25010	32986	3230	2809	1515	5304	3382	204	4481	5081	0	2360	538	0	1117	0	60165	3703	2723	2788	9601	4122	0	14089	1639	2094	0	3493	3444	2120	8929	30711	2820	4513	3014	0	8950	25977	0	3406	1145	Unclassified	0.083333336	1.6666666	0.16666667
4	C12 H20 O1 N2	209.16484	209.16518	-0.10222199	209.16483	16297	16064	16376	15972	2053	9005	11870	21671	1488	11991	5736	12119	995	1383	14190	27021	24979	7296	11155	11424	13807	18855	12424	29646	15818	3959	13054	8303	15889	12489	14923	18082	18609	13040	21408	17058	14637	16859	29880	11575	6761	5007	0	0	0	10052	9346	0	22468	19213	16367	14178	4221	0	2192	504	4259	32013	0	0	23169	4824	1216	2490	3707	3913	6357	35587	3713	5434	6466	10907	14499	13054	37563	14792	0	15089	22544	6862	22245	1880	1107	9006	1116	3086	25710	6308	9399	60780	17276	3459	45707	9693	15813	0	13888	14176	1639	343	446	13882	10636	7742	4486	22969	1081	0	21876	1843	Unclassified	0.083333336	1.6666666	0.16666667
20	C14 H24 O1	209.18999	209.19017	-0.08605141	209.18997	2908	2524	2434	2031	0	0	63838	0	0	0	0	0	0	44078	0	0	0	0	1823	0	0	0	0	0	0	11505	67604	2641	0	0	0	0	0	0	0	0	0	0	2040	0	1299	2090	5184	3886	3450	2430	1925	3005	0	0	0	0	0	3041	0	0	2703	0	0	4339	3491	1030	4440	0	26274	0	4869	2785	0	0	0	0	1344	0	0	0	3247	0	0	3804	0	0	42940	63200	0	0	1751	1073	1614	1456	0	0	0	0	0	3007	2918	1902	1198	0	0	0	0	2585	0	0	0	2994	0	0	Lipid	0.071428575	1.7142857	0.0
24	C14 H24 O1	209.18999	209.19019	-0.097392224	209.18997	50404	49525	44937	52172	32697	22003	221865	34657	10601	28948	45922	20985	15815	165373	30680	40011	118579	18679	23275	31089	37569	32424	16402	20914	19696	37294	271073	111875	21441	33299	17352	24051	56843	17137	23784	37018	31575	31073	90733	15650	133451	203950	94225	27602	44139	45233	230076	29276	27047	29516	49960	46527	39705	54299	14916	22642	46498	34317	22847	117623	39157	22854	49019	22751	135137	34652	57594	143776	30601	25652	60373	15212	17026	34028	41209	35953	72373	19352	16753	195017	17313	47967	96863	595522	26214	49004	22998	42958	26937	68174	91152	71812	56725	34921	41267	40037	44148	53292	46429	10803	34723	61906	21709	53979	46695	113978	43047	31714	20559	18475	Lipid	0.071428575	1.7142857	0.0
22	C14 H24 O1	209.18999	209.1902	-0.1075054	209.18997	24004	24848	19495	26032	7846	47440	228837	13349	3341	12406	14469	3468	3099	220051	6753	11207	27944	3270	21221	10932	8083	10055	5010	11150	7898	58118	290006	44394	5711	13187	7544	7786	17085	3130	4943	12126	7373	7749	28021	6712	41842	62282	37581	9991	10147	20274	33282	14123	7833	14182	22234	20945	10726	20648	3086	53415	92527	13768	7683	36310	19565	9659	34264	8248	155316	10004	61501	44184	11899	19499	18108	1876	4432	13909	13876	16529	16275	4427	4809	106773	4728	23680	91089	575279	10313	22975	7771	14056	29158	22519	25578	16138	19147	13052	19407	18836	21222	30914	82465	4899	15616	13898	6356	18857	10076	16407	15973	9153	6033	10250	Lipid	0.071428575	1.7142857	0.0
10	C13 H24 N2	209.20122	209.2015	-0.06418878	209.20122	1132	1447	1172	1051	1490	6891	0	0	0	0	0	0	0	11105	0	0	0	1554	3040	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31774	732	0	0	0	0	0	0	0	1791	1690	2655	0	0	0	20171	0	0	0	0	0	0	0	20788	2574	14504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5921	1314	0	49249	25193	0	0	0	0	0	0	0	1933	1064	0	0	11041	0	0	0	0	0	4836	0	0	0	Unclassified	0.0	1.8461539	0.15384616
2	C6 H4 O6 N1 Na1	210.0009	210.00131	-0.69560826	210.00076	0	0	0	0	0	0	0	0	0	0	0	1676	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1545	0	0	0	2419	0	0	0	0	0	933	0	0	0	0	0	0	29860	0	0	0	10234	0	0	0	4735	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1714	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	1.0	0.6666667	0.16666667
12	C9 H7 O3 N1 S1	210.02194	210.02217	-0.084022716	210.02193	4508	1800	3358	2958	6704	5083	4202	3017	2492	0	0	1209	3945	5693	1990	8953	7680	5661	5848	0	0	0	2831	5440	2147	0	2403	0	2810	2467	4117	2098	6395	2137	0	1368	9149	3338	8445	0	0	2835	0	0	0	0	0	0	2441	2416	3969	1764	6009	0	3247	1267	1600	9234	0	0	0	0	2269	3117	2116	4695	4158	12952	0	0	0	3782	2032	1671	2174	1466	0	1506	5382	0	3294	0	0	0	2050	2194	10113	7412	3952	27671	4756	2798	15988	0	0	0	0	0	1993	2134	1812	6508	1590	0	0	10261	2796	0	6647	6870	Organosulfur	0.33333334	0.7777778	0.11111111
6	C9 H7 O5 N1	210.0397	210.04002	-0.006593293	210.0397	4076	6257	4123	3184	10719	7003	2362	3285	8731	1382	981	2999	11898	6687	3121	4776	3404	13817	13850	1146	1821	4142	4402	5785	1243	0	2176	0	5177	2802	4612	5334	7012	4363	0	3272	7627	2187	2171	0	1291	6198	0	542	899	2779	0	625	4078	3268	3160	4565	10667	793	6972	4669	4351	6416	1554	636	4828	0	16187	8745	4963	13661	11023	4107	0	0	0	4062	3222	2531	2213	4072	531	2409	2797	0	2347	782	719	0	6277	4638	3004	8568	11151	4751	0	1293	5537	803	1211	1013	3547	4461	4268	5072	6226	5563	4580	0	0	6367	4019	497	2133	25465	Phytochemical	0.5555556	0.7777778	0.11111111
10	C9 H7 O5 N1	210.0397	210.03995	-0.013435241	210.0397	7562	7609	7235	6575	16498	12370	2399	8448	17146	1817	0	9208	14911	11000	7643	11452	9390	22507	17827	0	0	9455	9974	10113	4632	0	4933	0	7300	5708	6806	6493	13375	7549	2997	4618	13567	7562	10153	0	0	11419	918	530	1279	0	0	806	6757	4676	5830	7013	13520	773	10688	5851	8460	12660	0	0	16689	0	19353	12486	6503	17678	10780	10575	0	0	0	6923	4890	4733	6684	8570	1082	4643	7633	0	8642	1040	0	0	7109	6833	8685	18037	18255	13478	2999	2384	18919	2017	1825	753	7837	7663	7213	7251	7150	11313	8938	0	0	14928	7821	536	5640	23700	Phytochemical	0.5555556	0.7777778	0.11111111
8	C9 H7 O5 N1	210.0397	210.03998	-0.02914682	210.03969	8852	11621	8725	9601	19148	13903	4970	5395	20325	2033	3325	9569	26308	14737	8977	17575	14030	25967	34593	1727	1188	9850	13865	11741	4769	0	6018	0	8277	6270	9092	7274	11440	6126	2920	5546	11809	9498	16748	0	0	16275	879	684	689	0	1447	665	9995	5740	10013	10854	14861	847	17294	10325	11325	10408	0	971	11287	0	35289	23768	10487	31026	14008	16565	0	1085	0	6717	7216	2441	8686	8456	493	6680	10570	4273	6142	1102	793	0	14118	9989	10012	23983	22652	23568	0	0	20371	2070	1981	977	10362	9281	10351	12779	12021	15278	8497	0	0	18501	9512	562	6992	37630	Phytochemical	0.5555556	0.7777778	0.11111111
12	C9 H7 O5 N1	210.0397	210.03996	-0.006567989	210.0397	7187	5936	5164	5390	6864	10411	3056	5155	10541	0	0	6865	8698	7057	5453	4915	10548	12727	12255	1305	0	0	6228	3417	3434	0	0	0	4893	4481	5946	6636	6740	5897	0	4554	7902	6483	9875	0	0	10248	451	722	1022	1496	0	1004	8328	5745	6335	5141	7370	615	7136	3218	5783	7297	0	0	0	0	13344	7258	5691	9855	7827	10166	0	0	0	5656	4606	3005	7542	7663	501	4916	5570	0	4883	0	0	0	5105	5097	6437	10570	11376	7962	0	2001	10875	0	0	1075	7073	5634	4045	4730	3564	7917	5336	0	0	7560	3713	653	3451	20484	Phytochemical	0.5555556	0.7777778	0.11111111
24	C10 H11 O2 N1 S1	210.05832	210.05833	-0.052195866	210.05832	1774	1471	1267	2020	1020	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1592	1762	1103	0	0	98954	75541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	920	0	0	0	0	0	0	1391	0	0	0	0	0	0	0	0	1401	0	426583	0	0	0	0	0	0	0	1961	0	0	0	Organosulfur	0.2	1.1	0.1
2	C6 H11 O7 N1	210.06082	210.0612	0.08436658	210.06085	0	0	0	0	798	0	0	0	0	0	0	0	948	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	751	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1946	0	0	0	715	0	0	971	333	0	0	0	0	0	0	0	541	0	0	0	42472	0	0	0	0	0	221	0	0	704	A-Sugar	1.1666666	1.8333334	0.16666667
4	C8 H12 O4 N1 Na1	210.07368	210.0741	0.27082032	210.07373	0	0	0	0	518	0	0	0	300	0	0	0	0	0	0	1297	0	0	0	0	0	0	0	392	0	0	0	0	0	476	0	0	0	0	0	0	481	242	0	0	0	0	0	0	0	0	0	0	0	0	0	429	681	0	0	347	807	0	0	0	530	0	409	575	0	546	518	0	0	0	0	0	0	0	29007	0	0	0	0	0	0	0	0	0	0	205	0	0	504	0	0	0	0	0	0	0	0	0	581	421	0	0	0	0	0	0	612	0	0	308	Lipid	0.5	1.5	0.125
6	C8 H12 O4 N1 Na1	210.07368	210.07394	0.4562377	210.07378	169640	200936	156414	176039	238932	182727	136969	192936	229189	57117	64930	131716	287192	131649	134147	273171	240236	402425	360731	59924	72168	143747	144446	205317	103095	11554	137535	51076	182698	166885	190954	202935	308960	208324	89356	170585	291580	132244	323731	33850	52342	202827	12111	8548	11820	78841	54260	9452	218370	152355	191706	182458	237400	12113	232813	134842	137748	271361	56683	73090	246775	25655	301870	181009	112358	291045	217400	329400	23611	36166	29353	167756	179705	151378	155122	178930	8606	105707	134675	41570	115048	45786	55079	22872	161883	150823	166934	234980	268298	351712	74844	79565	311662	40507	44904	12715	183203	144918	127955	149462	179092	279249	146214	81288	33150	242483	165615	9714	116546	456789	Lipid	0.5	1.5	0.125
12	C10 H11 O4 N1	210.07608	210.07634	-0.06547067	210.07607	61797	75102	61146	72177	63149	60994	65988	56641	62208	24178	25422	37384	67574	48109	57879	102666	71071	103184	88248	28102	18884	70398	60895	83816	60390	5879	66908	19522	68839	70581	64510	77778	100732	68476	26201	62225	103587	55230	91992	23425	22622	65423	8135	9840	11409	29645	20626	12781	86056	57971	72942	81360	71368	9798	67175	38399	50975	94995	22383	20429	95483	11443	76512	54959	37276	92150	62012	77507	0	10552	10264	51083	60244	59087	79412	70234	7962	47200	57848	27437	55789	24629	27306	12989	38614	49468	68227	79978	76439	95706	59708	55443	113441	21369	35160	13882	65144	73388	47277	43303	37859	102118	46171	33056	0	82681	43279	10920	53891	114985	Phytochemical	0.4	1.1	0.1
14	C10 H11 O4 N1	210.07608	210.07634	-0.051573027	210.07608	40172	42609	35121	45693	44667	50615	40086	40762	39901	13342	17468	36938	39426	41198	33956	45828	58161	61397	55239	11434	14436	36500	31914	44403	41260	4201	42875	21055	47659	33075	42420	59406	65731	51893	21658	44797	74237	33968	48575	13534	12235	38594	12621	10592	10315	18137	12359	12609	45396	34437	44841	38316	40538	9448	45181	19526	32903	63098	17108	14034	39532	6735	42224	32161	27088	44763	39659	61135	0	6715	7444	46197	38787	33562	30464	47796	9296	34739	38530	16803	37492	20869	19170	8358	23631	25041	45103	54479	61902	53804	93689	103832	72083	12365	14989	13865	36811	38416	25742	25778	23545	56619	44946	21232	0	58182	23582	10505	41153	52545	Phytochemical	0.4	1.1	0.1
2	C10 H11 O4 N1	210.07608	210.07643	-0.045370646	210.07608	38286	43121	27606	35320	93522	46768	22954	34318	71691	14885	22201	31155	117164	51422	24394	20440	39051	105012	82957	18380	24387	37204	28500	28717	17405	9203	15356	13838	40292	27444	40978	38515	69232	40038	30368	29955	49531	23436	43242	18533	15202	63095	7444	8140	11237	19976	14345	9594	36881	20700	32087	37314	80466	8775	66310	48985	42395	46985	14527	18451	28935	8546	120744	68239	40061	121365	68089	47138	13842	13416	11851	33802	42483	27760	18489	42314	7652	20343	23674	10778	23775	18319	15789	9203	52149	36392	25445	90065	77852	43799	19143	18369	43543	12891	12484	17319	38617	35512	54217	69503	72784	40866	31862	20902	15357	42214	54098	8539	21279	144763	Phytochemical	0.4	1.1	0.1
8	C10 H11 O4 N1	210.07608	210.07637	-0.052676585	210.07608	158408	181464	134204	157572	209786	171167	129440	180626	207932	55742	61344	146897	250154	118444	146803	269558	274465	307198	311835	63830	65964	142430	149436	191362	115181	13819	167117	55273	183189	162491	161767	219891	260953	199776	94001	168077	268667	147081	340409	50765	64869	188177	10911	9900	12888	76213	51004	10927	219173	148276	150280	158125	204146	12879	254089	112380	123022	212587	54365	61872	220228	31139	256573	203838	105007	251003	188327	302430	23204	34488	33496	175572	199682	154320	179590	203941	8807	118957	165450	64802	133696	53084	55898	26007	147477	117329	189631	222867	236812	316395	79386	94934	289608	46816	47514	13155	160318	149240	135922	152813	142845	239999	138844	81043	24951	227382	161058	9647	140976	324743	Phytochemical	0.4	1.1	0.1
2	C9 H11 O3 N3	210.08731	210.08766	-0.052792177	210.08731	7918	9305	7570	9649	13317	0	4864	7576	13189	2619	3971	7809	13468	4379	6411	3328	9825	16504	14665	3091	4886	12590	8403	10153	4794	725	1663	1526	6807	5523	6924	5934	11239	7388	5768	5731	10602	5766	12849	3586	4042	8988	0	0	0	4326	3319	379	7891	5612	7241	7930	12701	0	13064	6449	8119	10997	2663	5095	5001	1952	19303	10708	8619	15580	10083	12977	1265	2003	2164	7754	5121	3693	2219	5645	0	4646	7742	1988	6427	2926	2269	1645	9449	8461	7436	16855	11638	27403	2433	3821	22910	2404	419	413	8237	8647	8661	8714	8563	7666	7083	3715	2869	12127	9523	0	7613	23735	Peptide	0.33333334	1.2222222	0.33333334
4	C9 H11 O3 N3	210.08731	210.08765	-0.13783523	210.0873	12655	12149	12206	12346	8074	7193	6706	17724	7471	3118	2938	11482	5584	4486	11792	23313	24694	16416	15631	4033	3616	16321	14819	20905	11253	807	9523	0	10842	12373	14451	10546	17072	12952	5213	14116	15319	12712	33984	3373	3403	13476	0	287	341	5006	3303	340	14005	14907	12144	11777	12022	481	10327	4737	10351	18010	4008	5802	23006	1778	7212	8346	9207	7972	10835	24674	1154	1554	1878	10419	9013	10402	10227	10142	261	8469	12842	0	10352	2981	4119	1574	6575	10047	11895	19060	15031	38986	2248	5123	47360	1808	2317	761	11878	12933	6012	5567	5998	16300	11347	7613	0	25727	6813	0	13650	12758	Peptide	0.33333334	1.2222222	0.33333334
8	C9 H11 O3 N3	210.08731	210.0876	-0.11782176	210.0873	5009	6770	5343	6699	4226	3419	6455	9641	3905	825	1667	5899	2315	2421	6785	13718	12318	6591	6088	1309	1449	10869	5618	12440	6852	0	7936	0	8292	5965	8784	9086	11694	8143	3004	5820	10283	6757	14723	0	946	5110	0	0	0	4902	0	0	9138	5157	5888	6149	4381	445	3261	2161	3018	11349	3288	2501	10693	0	4202	4125	2959	4191	5441	14056	0	0	0	10625	6772	5802	6705	7116	0	4929	8045	0	8596	1664	1566	839	4180	0	11095	8309	6100	28811	0	0	27907	1317	0	0	6713	6821	2390	2654	1904	7287	5531	3137	0	10908	4889	0	11220	4024	Peptide	0.33333334	1.2222222	0.33333334
6	C9 H11 O3 N3	210.08731	210.0876	-0.13425091	210.0873	13497	13347	11396	12105	7629	5660	11745	17341	5223	3468	2284	10795	6771	5132	12892	29105	20738	13490	10395	3473	3147	14364	14123	29649	13131	656	12576	2312	14663	11265	13989	17488	21873	13071	5494	11487	17293	14419	30919	2936	3252	9087	0	0	0	6743	2726	0	16584	14062	16314	12711	10739	389	8287	3656	7153	22203	4423	6486	25428	1317	7431	5253	5820	9333	10148	28897	0	2537	0	14979	11531	10270	13565	13303	224	7973	13824	0	11997	3685	5236	1436	5995	8910	17408	12405	11837	49736	6446	6183	47825	1983	2567	0	12669	10613	4748	4270	5587	19841	10287	7220	0	25653	6424	0	17238	9601	Peptide	0.33333334	1.2222222	0.33333334
0	C7 H15 O6 N1	210.09721	210.09758	-0.06173183	210.0972	0	0	0	1689	3488	10642	0	17253	2847	0	0	4192	8452	16309	4382	0	2930	13307	7094	0	3485	4081	8751	1904	6152	0	0	0	25347	1732	22382	2605	40456	13890	1718	5401	5526	2310	2472	0	0	3438	0	491	0	3011	0	322	3419	1612	0	0	7248	582	5947	2021	0	11954	942	0	0	0	12860	2101	0	5883	14716	2594	334	1545	0	15868	18198	6604	0	7753	0	5736	1645	601	1479	0	0	0	1199	0	3530	6893	9005	5067	2498	0	3987	0	0	1067	0	0	799	1440	0	1797	5645	0	0	16352	2166	363	1887	14195	A-Sugar	0.85714287	2.142857	0.14285715
6	C7 H15 O6 N1	210.09721	210.09747	-0.05418757	210.0972	1629	2674	3252	3003	2806	1786	513	0	992	5248	21008	0	3491	4508	0	0	0	1043	0	0	2161	0	0	0	0	0	485	49944	0	0	0	0	0	0	4005	0	0	0	0	0	0	2277	4365	2007	1970	1898	0	5669	0	0	3662	3098	1885	3378	1088	672	7925	0	18963	1291	0	8118	12056	0	27658	22191	17202	0	0	0	0	0	0	0	0	0	1446	0	0	43018	727	6348	756	1106	1539	5599	0	4281	1126	0	5333	5291	0	37727	7373	1711	2398	3926	1556	870	48063	0	740	1490	83759	0	1093	6293	490	714	A-Sugar	0.85714287	2.142857	0.14285715
8	C8 H11 O2 N5	210.09856	210.09879	-0.0517141	210.09854	1439	2288	2040	2085	0	0	818	9282	0	0	792	862	0	0	1240	23830	0	0	0	0	0	2302	2256	84386	1067	0	676	0	0	2065	2048	0	988	0	0	0	0	903	0	0	0	0	0	0	0	13987	0	0	1138	3674	2175	1420	0	0	0	0	0	16650	0	0	24574	0	0	0	0	0	0	1273	0	0	0	4750	0	0	0	0	0	1037	0	0	2630	0	0	0	0	0	0	0	0	1729	0	0	4633	0	0	0	1387	1797	0	0	0	0	841	0	0	17098	0	0	1793	0	Peptide	0.25	1.375	0.625
4	C8 H11 O2 N5	210.09856	210.09895	0.050809614	210.09856	711	0	660	553	1589	1659	1222	539	706	0	0	2405	561	0	1940	0	1006	1527	812	0	0	0	2354	1197	1205	0	0	0	0	579	528	0	1210	0	0	0	0	2625	1096	0	0	2411	0	0	0	0	0	0	0	0	795	535	1699	0	0	0	500	598	0	0	714	0	594	685	0	1087	1309	0	0	0	0	0	1364	947	0	0	0	1754	1241	0	32472	0	0	0	567	563	0	656	0	777	0	0	862	0	0	0	644	707	1094	0	0	0	2252	0	0	557	486	0	1715	589	Peptide	0.25	1.375	0.625
2	C8 H11 O2 N5	210.09856	210.09889	-0.04749525	210.09854	9041	9615	8263	7814	1262	17122	45157	15070	2043	1664	5710	39322	507	406	53505	3958	25475	977	879	0	471	751	15343	18753	43327	0	11020	7135	7639	10649	21014	7875	22676	2632	600	8630	16771	52655	29006	315	606	89255	0	0	0	1484	253	0	11660	16597	8428	8329	45920	0	295	351	7074	9662	0	381	2789	0	685	1434	0	6169	52087	20373	1667	1376	578	7009	76236	47622	8936	9276	0	47194	9413	0	63182	0	0	448	494	3265	1652	15320	10077	2430	0	0	2570	0	0	0	9512	9077	1302	0	328	11399	42071	0	0	3410	437	0	60734	464	Peptide	0.25	1.375	0.625
10	C13 H11 N3	210.10257	210.10278	-0.05782899	210.10255	1415	1392	1268	1238	824	0	0	1492	0	0	0	990	0	0	0	4290	0	0	0	0	0	0	0	1756	2131	0	0	0	1420	2118	1191	2512	1401	3062	0	2652	2423	0	0	0	0	4800	0	0	0	0	0	0	2046	1884	1128	1699	3332	0	0	0	2530	1509	0	0	0	0	0	0	6359	2580	52694	5463	0	0	0	2595	2552	0	2905	2193	0	737	0	0	0	0	0	0	0	0	0	7632	5060	1464	0	0	3523	0	0	0	0	0	0	0	0	2798	970	0	0	2541	0	0	0	0	Unclassified	0.0	0.84615386	0.23076923
16	C11 H15 O3 N1	210.11247	210.11272	-0.06594958	210.11246	78488	76352	66940	70634	62768	69385	70662	130347	37543	17259	27157	78372	53259	66603	62375	163939	91367	87328	82627	33286	26419	63577	62625	162541	69159	6773	59241	39490	132191	122435	142001	169002	184519	118428	33260	155358	189816	54873	91756	22120	17578	97807	11759	15104	16031	35004	20006	15675	192596	108978	79157	74155	74146	15009	35768	21269	40624	224485	19317	26641	160170	11828	34064	36614	30944	69182	88695	92223	6517	9768	9041	143120	137266	111407	95343	130503	13913	65701	54075	40276	38117	27049	30990	15372	33008	45333	82909	98662	109035	99312	65479	44241	101550	19142	23601	16414	65232	64090	31900	34011	31926	170399	62346	36627	12633	163906	34293	14801	73579	69371	Lipid	0.27272728	1.3636364	0.09090909
6	C10 H15 O2 N3	210.1237	210.124	-0.11014512	210.12367	8207	9628	9127	10656	6081	6292	8978	9148	4933	10991	8398	5886	4402	2753	6781	17137	10359	8020	6170	7817	10645	11218	6144	16000	7677	2670	7019	11602	8057	6746	7961	9579	11637	9629	13732	10443	11863	8042	17073	5842	9990	4511	0	0	0	8445	9120	0	13645	8515	10831	9862	6021	0	5582	2234	4539	13096	4412	8619	14171	5608	3678	2470	2511	6899	4436	16171	3822	3278	5560	7437	7832	6556	7579	7598	0	4556	7838	4636	7310	6710	8269	6690	4346	5133	12765	6650	5980	30269	27304	13451	25771	5765	8025	0	9764	8612	2821	2497	3324	12072	6360	6806	0	13556	6284	0	10560	6147	Peptide	0.2	1.5	0.3
6	C8 H19 O5 N1	210.1336	210.1341	0.053380203	210.1336	0	0	953	0	0	0	0	0	0	0	1808	0	2837	0	0	0	0	2303	0	1798	0	729	0	743	0	821	0	4374	0	0	0	0	0	0	0	0	0	0	0	1200	0	0	803	0	338	4637	0	0	0	0	0	0	0	408	0	0	0	0	2845	0	2288	2880	834	0	692	2275	0	0	0	0	0	0	0	0	0	0	561	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1849	2021	0	0	0	0	0	447	0	0	2069	61475	0	0	0	0	951	A-Sugar	0.625	2.375	0.125
8	C8 H19 O5 N1	210.1336	210.13388	-0.13004123	210.13358	14027	15152	13771	13468	1676	1773	0	0	0	7770	39211	0	12263	2667	0	0	0	0	0	0	29803	0	0	0	0	0	0	1940	0	0	0	0	0	0	2715	0	0	0	0	28986	0	0	1539	651	804	7704	1487	611	0	0	13502	12054	1604	719	0	0	33683	0	186621	0	0	181655	3886	0	43195	58464	37862	0	0	0	0	0	0	0	0	0	735	0	0	0	0	512	0	0	0	13839	0	0	697	0	0	17208	0	10257	5677	675	10977	18996	1606	0	8593	0	0	0	1897598	0	0	620	0	0	A-Sugar	0.625	2.375	0.125
16	C12 H19 O2 N1	210.14885	210.1491	-0.08175234	210.14883	24067	26110	27923	26260	10158	13652	22147	25928	8684	39359	24310	14655	12267	9571	9062	45202	61145	16016	10770	42358	41532	23397	9155	14028	15607	47232	25117	26920	29365	37077	22905	32892	40675	29581	31331	39914	38675	9814	67013	31432	50814	15913	3363	2863	2474	45945	83981	2567	40252	35621	29593	33320	13069	4853	4494	5143	7083	38890	13366	48817	22943	14549	12817	6291	8334	12435	12826	53467	32896	46104	61133	24472	36200	44105	63544	40892	1947	13852	10104	32186	5811	42107	24124	30444	9083	10743	15725	21390	15152	34445	48763	43025	0	32333	47830	2933	28725	29205	7921	7462	8336	35442	16555	26390	26361	19351	13164	2302	13227	11064	Lipid	0.16666667	1.5833334	0.083333336
6	C12 H19 O2 N1	210.14885	210.14915	-0.0836443	210.14883	18847	23560	18216	22449	17575	9485	8701	15024	12545	37301	20619	13828	13733	11721	10430	24390	13000	29952	16502	43845	47774	37489	7867	15064	9752	9448	10127	14707	17705	14384	24252	16860	24487	14926	47742	12381	21656	10734	19092	24954	25970	6795	1217	867	792	20044	23668	963	18664	13014	21145	21069	12833	536	12142	8719	5481	28502	1687	9345	23836	13431	13564	6310	3844	16932	9649	16826	6910	12398	15233	14006	15326	12525	12403	17331	649	14395	12215	11610	7025	8312	6077	21308	11109	5100	24047	8688	15483	61409	41613	21647	40529	27568	45762	977	19994	17579	11557	9155	10554	22648	13221	17905	0	18754	8886	1066	12026	17131	Lipid	0.16666667	1.5833334	0.083333336
12	C12 H19 O2 N1	210.14885	210.14912	-0.08066203	210.14883	26642	32840	26326	31632	7471	7296	13995	8686	4313	50554	22790	7218	4845	4572	4568	38120	15790	6595	7971	51373	33885	48257	3982	16968	8216	35141	20097	15860	14729	21084	13464	30904	19521	23026	28778	19697	26194	6390	25813	33894	60876	9866	2700	2610	1889	56196	120767	3209	29709	13671	30986	31528	8173	2156	4060	3428	4904	26114	6930	16689	25174	14207	6689	3771	3985	8216	7579	18682	23801	40624	44018	17424	18182	17842	36220	22187	1311	7558	4280	17030	4621	41133	16110	29444	3913	4207	12824	10190	7416	26634	66444	53816	23667	23075	86686	2135	25995	27022	5221	4173	6016	25482	6935	25731	24999	18836	7809	2591	9840	4983	Lipid	0.16666667	1.5833334	0.083333336
14	C12 H19 O2 N1	210.14885	210.14911	-0.07103669	210.14883	41748	39607	39461	41391	15257	12120	23715	11442	9460	73372	48289	12474	8685	10780	6364	25518	36554	8136	7080	78633	77153	56922	5092	11893	9321	80540	27220	38547	18329	16632	19970	32796	29809	33740	61561	21845	30414	9352	38376	75632	98131	12056	3256	2541	1500	79947	152089	2364	31133	15784	35925	35505	14976	3115	3648	6620	8485	35910	13251	58267	0	28341	12868	6732	6896	17106	12382	46175	50954	72059	127457	18383	29747	24868	31347	26365	2498	9282	12267	35040	8509	65178	47898	71868	12375	9470	58580	18919	16931	50219	72770	80224	24456	46904	90410	2798	37209	31469	6485	17175	15216	25442	11828	42975	34262	26343	11947	2074	18853	11735	Lipid	0.16666667	1.5833334	0.083333336
10	C12 H19 O2 N1	210.14885	210.14912	-0.0578661	210.14885	10158	13667	9006	11363	7609	6269	5560	9873	3992	17161	9895	6439	4864	3810	5222	17973	12232	6634	4651	21309	22022	17520	3146	12290	7603	13380	8028	7201	7226	10272	7510	10632	11851	9416	16789	8689	12834	4946	12429	17658	21635	6442	3273	1839	1481	22246	32007	1380	9262	8964	17850	12674	4924	5212	4099	3142	3563	16576	4219	11747	13747	10645	8159	2864	3135	9459	4098	15175	10722	17354	18703	9485	7537	6775	12715	9256	1005	3482	10399	10121	3229	13704	7947	10262	2707	3870	25570	8269	4316	38776	14155	15191	29116	13139	27692	2052	9711	11647	2734	2363	2915	10775	6924	10843	0	10244	3760	1253	7749	12855	Lipid	0.16666667	1.5833334	0.083333336
8	C12 H19 O2 N1	210.14885	210.14914	-0.051718388	210.14885	12037	16757	12927	15252	8382	4465	9241	11592	5267	33779	13303	6821	5744	3838	6453	17214	15531	7520	6853	29327	36937	22148	4355	10764	7584	8716	10347	10165	13600	15137	11922	18249	19575	13704	33852	16056	18477	7714	19737	44638	65754	4408	1694	1186	692	22282	27072	1141	16091	13488	13494	14484	6211	929	4402	3839	4486	14936	3723	10279	8599	25796	6583	4421	3587	9284	6052	19708	7369	9033	11672	13851	17452	18389	15593	17617	976	8390	7794	8941	5408	13986	5358	33611	3553	4638	26487	8813	8688	18511	27323	18035	16566	19007	24763	1069	13868	12187	4333	7244	7401	13974	9457	14772	0	12295	5219	990	6094	5261	Lipid	0.16666667	1.5833334	0.083333336
4	C12 H19 O2 N1	210.14885	210.14919	-0.10086356	210.14883	65858	72911	70564	66154	43005	28940	41853	57443	30477	130972	50843	53676	34138	16794	33402	93120	68361	40369	47910	142176	157152	148873	25110	65437	42458	15438	45396	50112	65402	49420	62287	66209	88183	61403	189035	56954	73891	40049	81087	103371	99354	22799	1633	767	649	59257	73670	1024	73371	52865	75842	60095	34270	795	36405	16219	15408	103206	8171	19491	84253	54751	50431	26420	13439	42670	24186	83557	13962	31014	35355	58180	59966	50664	59573	53388	628	57661	55875	46769	28341	26027	28665	68021	18966	17182	127142	40210	38619	177431	155516	93712	134079	83364	123759	1410	65507	72270	25238	26438	26363	72440	53361	85202	37225	72693	28184	1070	58572	53633	Lipid	0.16666667	1.5833334	0.083333336
22	C13 H23 O1 N1	210.18524	210.18546	-0.08019224	210.18523	6362	8151	4828	4419	1335	1340	5159	3998	0	9830	6952	1481	0	0	2634	8044	5479	0	0	9305	12267	10339	3082	3830	4306	30718	4527	15166	2414	4903	3566	0	4420	1447	6178	2498	3327	2599	5323	16871	30953	4848	0	0	6174	37131	79102	3882	5013	4639	7349	8094	1576	5624	0	0	1716	8591	4010	17146	9155	13569	0	0	1363	0	3024	9851	27722	32038	31899	0	2261	4766	7627	3269	2416	1469	2348	24768	1534	34848	8415	21221	1401	3140	5040	3052	0	14367	18296	22837	3298	15575	19537	0	8171	8464	1350	1452	0	3098	2200	7982	30761	6103	3655	0	4806	0	Lipid	0.07692308	1.7692307	0.07692308
8	C13 H23 O1 N1	210.18524	210.1855	-0.020583326	210.18524	1814	941	3004	2199	1278	673	879	0	0	6547	3622	1105	946	0	615	0	1168	0	843	4838	5389	2349	0	0	0	7156	2387	5697	0	1682	926	0	1713	782	9771	0	1726	606	0	3686	687	0	0	0	350	2853	4808	332	932	0	1584	1800	1260	393	0	0	615	3133	0	0	0	1763	0	0	0	2021	4229	1108	5337	7108	9831	0	1325	1234	1222	924	303	647	0	0	942	0	0	4215	0	0	2281	0	1348	3962	34955	36503	7241	1940	6533	0	0	2454	912	0	0	1510	1008	0	0	1428	0	0	791	0	Lipid	0.07692308	1.7692307	0.07692308
6	C13 H23 O1 N1	210.18524	210.18556	-0.049249277	210.18523	6274	7566	5256	6054	3117	2590	4484	4947	497	20485	10306	3378	1165	1995	3211	6808	3542	1803	2480	18316	14032	5875	2959	4153	5602	17551	5426	7718	4684	4969	4279	6006	8524	3987	25499	6404	9775	1921	3332	14542	2764	2610	0	0	310	9698	14271	317	5704	4091	6855	6471	29363	380	978	416	1300	7218	0	0	6091	5488	1285	903	1260	1730	3761	5845	12152	19947	27407	5383	5377	10512	3540	6642	349	3003	4681	5287	2905	1065	517	14381	864	921	6743	2532	4417	16773	31054	7709	17836	12364	23398	0	6679	7241	794	0	0	7066	2485	3359	0	7997	960	0	3902	867	Lipid	0.07692308	1.7692307	0.07692308
0	C13 H23 O1 N1	210.18524	210.18555	-0.27795878	210.18518	3022	3118	3326	3334	0	0	4108	2420	0	1885	2688	2326	0	0	2989	0	6534	0	0	1931	5148	2946	2305	0	2610	14132	1965	2270	3476	0	2499	2594	3067	2789	4764	2356	3075	4133	5741	2080	4668	1882	0	324	459	1496	2677	0	2554	2882	2228	2979	0	0	1090	526	1259	4260	915	1474	0	3666	0	0	1678	0	0	4312	6185	2693	4502	3960	3248	2409	0	4872	309	1671	13745	12691	4405	2704	4860	4100	821	1671	17216	1365	1301	28149	3885	3455	5961	6785	0	382	2781	3207	368	0	0	0	1612	2382	2307	2465	741	0	13188	0	Lipid	0.07692308	1.7692307	0.07692308
4	C8 H11 O3 S1 Na1	211.03993	211.04025	-0.002859814	211.03993	474	0	671	0	0	0	4646	0	0	0	0	12995	0	0	0	0	0	0	0	0	0	0	0	0	0	0	117001	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1284	0	0	0	0	0	0	0	0	0	0	3213	0	0	3235	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25984	0	0	0	0	0	0	0	Organosulfur	0.375	1.375	0.0
14	C10 H10 O3 S1	211.04234	211.04259	-0.0561752	211.04233	3715	4026	6461	4537	11803	12627	4736	2506	7742	3873	5058	3391	15833	7219	3275	4557	2626	22579	11408	4679	5659	10654	3075	0	4887	0	4441	0	4657	1582	1824	0	4260	3292	6380	3860	5899	3759	5271	7598	4715	6694	0	479	0	4759	6591	683	3732	1908	5691	6381	9495	390	3181	3717	3829	9389	4953	5667	0	2393	5169	4841	3641	10572	8394	4505	0	1786	0	0	1435	2744	3598	2832	413	2736	3709	14825	986	3912	4702	3902	6132	4315	8809	8799	11153	6832	29405	20088	4346	6435	12277	740	7375	5663	7328	6308	5826	3654	2444	6195	0	6208	7384	436	4093	7454	Organosulfur	0.3	1.0	0.0
16	C10 H10 O3 S1	211.04234	211.04257	-0.04519002	211.04233	6466	6604	7345	3596	12817	11925	4445	3480	7327	5686	2859	3214	19505	7770	3419	9360	7219	23379	14516	2105	2939	11901	4036	4233	7218	0	4628	4489	4917	1721	2453	3636	10288	4950	4020	4393	9781	4843	4566	4888	3547	8621	681	508	633	3237	2059	607	5563	0	6810	6386	12235	564	6875	3982	3751	10772	5259	4026	6199	2904	5968	5965	4539	14819	9587	7219	0	0	0	1700	1974	1676	3810	3065	434	2363	4732	13328	1297	2855	4322	3436	6580	6149	6739	14271	14109	0	23497	23251	0	6253	6029	1039	3534	7266	5851	6592	8829	8306	1587	4187	0	0	9017	409	5107	13373	Organosulfur	0.3	1.0	0.0
12	C10 H10 O3 S1	211.04234	211.04262	0.019272193	211.04234	3828	6398	6564	6437	10768	6724	2915	1295	7497	6174	4003	1339	8486	4575	1033	7664	5795	12777	12274	3423	3015	9322	2383	2797	5537	1022	4264	0	2301	3090	2542	3727	4286	1796	9660	1470	5164	3867	4523	3347	6891	4453	394	0	671	3025	0	859	3915	2032	6775	6659	7401	377	5025	5015	3466	8183	0	9186	0	0	4394	3102	1926	7336	6759	4504	0	0	0	1198	0	1292	5616	3272	409	1596	4138	0	0	5648	3587	1525	6387	4791	6734	5532	7322	5426	20804	17022	2442	8227	14306	969	4891	8248	5614	7377	5204	5686	1592	6895	0	3364	9476	373	3853	10978	Organosulfur	0.3	1.0	0.0
26	C10 H10 O3 S1	211.04234	211.04242	-0.10324111	211.04231	6353	3482	3450	5352	0	0	5554	0	0	0	0	3668	0	0	0	9384	29315	11260	5135	0	0	0	0	0	5919	0	8604	1857	0	0	3157	0	24638	4678	1626	0	18139	3501	28633	0	0	0	0	0	0	0	0	0	3269	0	4113	4757	5439	0	0	0	0	12367	0	0	8558	0	0	2327	0	4972	4109	34758	0	0	0	2476	0	0	0	2603	0	0	3826	0	3389	0	0	0	0	0	9279	27483	8508	3257	3110	1933	4390	0	0	0	3744	0	0	0	0	21392	3353	0	0	16324	0	0	5346	3005	Organosulfur	0.3	1.0	0.0
6	C10 H10 O5	211.0601	211.06041	-0.057561036	211.06009	103666	122550	86502	118177	272885	150252	69365	82277	260789	45727	59888	72492	379706	202773	84266	106763	86875	338804	312901	48859	54698	62035	98914	72964	46188	17091	57665	40643	83801	85871	79456	86440	147949	85102	60923	85863	124020	69006	106857	25603	35821	143048	24314	19953	34288	57234	42760	26011	95402	71783	113754	105463	199054	25557	234017	220806	119885	109597	39190	42305	95567	23035	351454	184479	99720	328426	153236	111060	32024	25793	29929	69974	89111	92247	60478	79302	23092	59381	70033	34488	76809	44587	40081	22114	243302	151633	88096	133908	184645	66815	73384	54669	65959	38464	37008	30719	105886	102149	167306	288588	349702	145739	80071	47327	35803	67840	204496	21820	53873	408584	Phytochemical	0.5	1.0	0.0
14	C10 H10 O5	211.0601	211.06036	-0.070973165	211.06009	125842	120416	97577	113170	217603	199910	87241	103942	239207	52876	52321	72072	381143	213482	110851	100035	97859	273724	237943	63486	65111	84310	121509	90012	93846	29240	79849	45170	102182	106670	102157	106126	154029	96112	76258	98478	136615	95821	90616	48185	36282	127453	24905	24478	28943	61435	51842	34119	92466	83642	102718	101568	174764	22377	278714	177421	114554	126060	60533	41914	98831	38355	298269	195027	106889	274532	143644	84153	32668	40654	41810	83259	83897	85827	66761	96953	25665	92159	106494	52384	103388	53319	60085	42422	191151	110073	136447	112289	156782	83800	78512	77357	116588	48061	45632	38044	111061	122474	143776	204971	210931	111201	95065	64960	43765	90497	127804	29473	77639	288915	Phytochemical	0.5	1.0	0.0
8	C10 H10 O5	211.0601	211.0604	-0.057341974	211.06009	158816	188656	110909	171436	415609	275223	94433	112701	410060	62224	82160	105671	612680	322328	122196	144794	155563	471220	493083	69857	67855	87075	170714	95011	76036	17886	90223	56284	131474	125008	118343	146940	201867	132489	98475	129589	198346	112908	164847	42363	51457	236701	25160	20879	38502	68284	46431	30525	134665	116087	156067	170843	313741	28133	391119	291879	183818	144039	55542	46104	150329	28925	548636	373583	172245	507085	237009	144632	35537	32279	33746	119339	146667	133863	120967	155838	26099	100787	131395	70243	121210	57472	49876	29061	356647	197613	155804	209661	291822	95358	82856	89123	97515	60540	48156	34860	159288	174255	294961	453615	448624	207262	114040	69581	32961	110013	308512	23959	85049	573785	Phytochemical	0.5	1.0	0.0
10	C10 H10 O5	211.0601	211.06036	-0.05818361	211.06009	198099	183911	162647	156720	461061	322179	114292	144456	485392	69687	84609	118543	703049	353618	158660	149953	120782	608407	514069	75521	81185	93169	193858	110704	107937	23526	105972	74626	162605	145376	147853	166122	245725	160933	103068	153875	229066	142507	143077	51542	56469	235505	34618	28210	39733	72888	47401	36276	160128	114102	183220	204162	345553	32651	476984	327403	166039	202112	64035	55569	179430	36400	516977	413217	168237	551552	258661	134422	40993	41195	35888	136875	153753	142110	115758	157703	32506	114156	143492	73754	135070	61249	54608	25809	375355	242903	179603	222508	281862	94806	85215	105371	111790	66463	58531	37718	172965	186568	291298	412688	408335	207954	136694	71767	34677	127759	315955	31294	87582	682146	Phytochemical	0.5	1.0	0.0
12	C10 H10 O5	211.0601	211.06036	-0.07208967	211.06009	143895	179541	155445	181826	350557	295508	121197	137288	404492	67466	69622	89388	480610	299597	145446	146098	124793	465186	431194	74123	70877	116991	167780	109687	107609	21345	118412	61292	167193	118262	139416	144587	212696	130637	110745	126759	180442	144032	124128	52876	54890	192531	23078	27165	35768	64557	54172	36628	152442	127751	163528	176995	293117	25082	443158	225986	169603	152845	69175	46308	159598	36912	521546	305855	136635	467855	211020	123004	31076	47901	36505	109699	129476	134821	110708	142852	21973	116868	121722	49805	135406	63724	53942	35946	260000	189249	146897	165216	238628	120218	96339	117349	120843	58656	60887	35646	170003	184964	242923	273767	273762	186423	130023	70764	56906	135113	237946	28574	88966	562893	Phytochemical	0.5	1.0	0.0
16	C10 H10 O5	211.0601	211.06033	-0.073685035	211.06009	76859	83632	73042	74491	128599	112718	72715	71001	140064	42908	38807	60853	211933	127037	84502	70070	66766	147887	160808	49851	36782	70453	99425	68206	63379	21019	55332	33359	70214	62440	70230	75903	108345	62997	70261	65714	89673	74943	68123	51043	37083	83017	20518	25309	33892	50347	36456	31647	75766	55832	72116	81141	115775	23383	137543	102685	81434	87968	45880	32739	77608	31830	160951	118775	60213	158188	97585	54940	29765	33051	32416	67545	66894	68460	52476	73786	28176	58941	84883	51943	78517	50334	48179	34271	121315	75146	80050	88012	103201	61720	63813	54937	65593	42164	39787	31907	80946	83113	91568	108946	124939	92729	61980	47916	36558	75866	88235	23979	67136	194457	Phytochemical	0.5	1.0	0.0
4	C9 H10 O4 N2	211.07133	211.07167	-0.07367887	211.07132	26394	34333	25893	24995	40641	22942	14580	32859	41804	7069	9752	23457	40399	17244	21546	37539	51884	62334	57499	9483	9341	31116	27459	30727	16046	1809	15863	7292	25193	19336	28504	24196	35259	23113	11859	24660	35627	22784	65615	6660	6303	44761	2398	2070	3013	11546	5886	2420	30945	25822	26047	24567	41402	2723	38561	26870	30547	31987	8757	12083	37825	3593	56665	42687	30752	41197	30534	53928	4720	4862	3576	22924	19680	18137	19443	22826	1671	16621	22881	4365	19472	8987	8330	2692	33957	31129	23743	56837	49174	47270	8411	10643	58666	4377	5415	4868	25658	29369	30786	32278	30465	34158	26552	13026	5196	35246	29342	2367	20807	96451	Peptide	0.44444445	1.1111112	0.22222222
2	C9 H10 O4 N2	211.07133	211.07169	-0.05192098	211.07132	18536	20739	14890	18706	42044	25831	12967	21137	44071	5862	7640	19652	39138	20881	14023	7559	24096	69923	55322	6923	9537	20865	15865	18469	9848	1730	5569	4435	22149	12483	21501	21135	39381	21392	11759	17050	30050	14050	24357	5067	4104	27739	1687	1651	2080	8265	4717	1832	21410	12005	17380	18564	41078	1796	34207	16937	21477	28819	5349	5678	13202	2691	62566	34285	25830	48655	36659	26928	2386	4149	3380	16862	19433	12759	6213	18831	1681	12186	14756	3894	11881	5951	4745	2900	31753	25724	14121	55430	47985	27907	7909	6835	37903	3881	2692	3534	18606	19081	23937	22244	25479	20098	16711	8140	3915	30088	21113	1504	12998	85836	Peptide	0.44444445	1.1111112	0.22222222
12	C9 H10 O4 N2	211.07133	211.07158	-0.018847207	211.07133	15948	16486	14472	20480	13779	14072	15540	13272	10646	0	2588	12161	9590	8399	16222	35113	25418	28360	16910	2600	3520	12840	17490	30154	12464	0	14709	0	14844	14904	12149	22890	22349	20231	2621	17819	32494	17133	30039	1351	0	17894	1573	3032	2381	2825	0	3106	21494	15614	15785	20529	15849	5172	11121	3553	12478	22965	0	0	33408	0	15974	9409	8865	14329	17388	24842	0	0	1851	17450	12905	10329	28897	18814	1899	11250	15834	0	16543	3643	4349	1394	4843	13535	15800	20721	19964	39118	12798	12122	43717	0	2760	2343	15127	16969	6720	6181	7191	35606	17157	2923	0	29924	7998	2664	18464	22868	Peptide	0.44444445	1.1111112	0.22222222
6	C9 H10 O4 N2	211.07133	211.07164	-0.07424317	211.07132	45770	46170	37200	43649	52890	40215	30872	52593	52877	12437	13868	40734	55379	26298	38636	72001	63332	93550	77332	11306	12630	44266	41922	66616	27036	1605	29607	8031	44483	35359	46301	56726	86282	48383	19808	43093	79359	35159	91871	7043	8328	54865	2915	2201	2086	19855	10433	1845	57845	38476	45770	41825	62667	2615	54085	25996	37086	58948	12115	12411	66048	3351	63044	44884	32073	59995	55687	89514	4438	7588	6834	42256	39569	33588	36995	38442	1553	24974	31447	10135	30592	8859	9024	3546	35850	36071	43267	74194	68369	100343	14804	16079	104602	8381	6766	2393	40383	37643	27075	28251	29598	69506	39877	19381	0	72340	35660	1840	36076	123774	Peptide	0.44444445	1.1111112	0.22222222
10	C9 H10 O4 N2	211.07133	211.0716	-0.045885336	211.07132	27090	26412	25916	24989	29909	23573	21537	40434	23518	3413	10217	27967	20672	18697	27754	47993	58869	62878	39104	4159	6331	36421	29463	47465	29115	0	31969	8648	26589	25241	25735	29756	45539	31432	9576	21115	50502	27357	66975	4007	3824	28386	2008	3182	2990	11712	3173	2834	29524	25563	24430	28141	32993	3257	19003	10871	17705	50303	4884	7643	47399	1566	21754	17853	16552	32498	28024	81024	0	2891	3321	26992	23999	21511	38485	27141	1658	20582	37289	11517	24220	6474	5664	1421	16379	19173	41870	39892	34527	106264	18122	17091	93995	2876	4568	2987	27409	26089	14417	14236	13348	42762	27473	7113	0	59412	16237	2212	37505	48280	Peptide	0.44444445	1.1111112	0.22222222
8	C9 H10 O4 N2	211.07133	211.07162	-0.04169908	211.07132	35958	40905	33428	40757	42227	34336	35133	39914	35152	9541	15496	42846	37550	23198	38247	65837	86688	67958	64568	10238	9586	37459	39113	59106	25081	1550	35933	12228	45018	34724	42539	45136	67927	48101	14708	35989	68848	38985	102212	5738	7088	42358	2364	1902	2374	20135	5983	1953	50488	34450	38642	42282	45362	1954	36607	15595	29452	59341	7511	12696	51657	4014	39700	37668	29160	47755	45162	100297	3464	6862	4112	38620	37453	26388	47354	46383	1803	27845	52915	15702	41110	9410	10303	4231	26666	27104	49815	60611	57367	118663	16295	18284	94116	10418	7006	2777	44115	36271	23582	21902	19898	61581	39971	11378	0	77205	29703	1650	39590	69790	Peptide	0.44444445	1.1111112	0.22222222
20	C11 H14 O2 S1	211.07872	211.0789	-0.12978812	211.0787	4052	4421	5894	4028	3969	4202	1498	0	1907	8586	3702	0	0	0	0	2327	2657	8417	1634	7391	5372	9354	1596	0	3917	0	2402	6789	2894	0	1305	2327	0	2372	7312	1653	3866	1766	2846	5813	4524	2427	0	0	0	8264	6671	0	1790	0	3849	1756	3100	0	0	0	1076	6080	10945	7186	2976	4810	0	2258	1109	4214	3149	4015	1198	0	0	0	0	0	1419	3003	0	0	1930	14546	1877	7391	8645	0	2492	1668	2706	4230	2678	3646	35309	35544	2579	11671	17538	0	6190	3264	2675	2209	0	4247	1316	12078	10845	2014	3101	0	2748	2209	Organosulfur	0.18181819	1.2727273	0.0
14	C11 H14 O2 S1	211.07872	211.07896	-0.017964778	211.07872	2556	4262	5161	4230	4253	4733	0	1910	1705	8137	6877	0	0	0	1103	0	3458	5249	2636	6007	9466	8244	1745	0	2968	0	2298	0	2455	0	2094	0	3941	1897	10219	0	4298	1984	3261	5868	8379	2476	0	0	0	3800	10420	0	2100	0	0	4150	3079	0	0	1736	2432	3223	0	6995	0	1852	0	0	1510	2894	3953	5020	0	0	1454	0	0	0	4408	1352	0	0	0	0	1592	6150	7555	3250	1577	0	3158	5459	4545	0	27045	26939	2721	11698	17192	0	3764	0	2867	965	1947	5573	1403	4370	0	3118	1689	0	3416	0	Organosulfur	0.18181819	1.2727273	0.0
18	C11 H14 O2 S1	211.07872	211.07896	-0.020833319	211.07872	6503	3118	3899	6121	3703	6310	0	1620	2020	10118	6971	1619	1704	3021	2475	5338	4984	6976	5790	9726	9157	12653	0	2449	2297	1452	3851	10114	0	0	1771	2371	2397	0	9107	0	6000	2013	4675	6073	7849	4345	0	0	0	7219	11627	0	2768	0	4291	4834	5784	0	3263	0	2801	4870	7441	10986	4040	6267	1720	0	3299	3031	3676	4900	0	0	0	1444	0	0	1878	0	0	0	3185	20002	1682	10110	7334	4646	2282	3441	5158	6671	5886	3492	46431	39205	3360	14736	20779	0	6280	4412	2983	0	1604	3178	0	7343	8965	2513	2273	0	3976	2949	Organosulfur	0.18181819	1.2727273	0.0
22	C11 H14 O2 S1	211.07872	211.07893	-0.039791506	211.07872	2408	3072	2544	2989	2469	2882	0	0	1784	2980	2635	0	2795	0	1870	2780	0	3990	1950	5751	3044	6536	0	0	3878	0	1544	3992	2211	0	0	0	2921	0	8784	0	2663	1751	1244	3466	0	1875	0	0	0	3217	3326	0	0	0	2790	1582	0	0	1603	1377	0	1640	5056	4467	0	4589	0	0	0	0	1641	1616	0	0	0	0	0	0	0	0	0	0	0	9031	992	4513	5150	2978	0	1291	4158	2160	1944	2378	29976	28788	1550	9322	13385	0	1682	4091	1739	0	0	2370	0	4413	5473	0	2326	0	2183	0	Organosulfur	0.18181819	1.2727273	0.0
6	C9 H15 O4 Na1	211.09409	211.09435	0.24373943	211.09413	1292553	1433916	1132652	1322266	1635533	1153053	1297819	1334528	1552480	420404	380439	960035	906313	698361	1052018	1438663	1394765	2212156	2140693	570124	549138	959624	1058948	922678	774772	279954	1140575	317159	1663318	1516219	1295899	1680495	1959328	1440705	537960	1725185	1837392	992999	1820899	255754	375319	1384717	180257	152810	190420	481854	491888	164670	1668568	1214916	1326535	1362743	1421164	162408	1742076	761514	1060128	1544816	402858	474992	1418420	228157	937266	605192	941588	1706727	1402247	1728360	300512	336327	362258	1080459	1484387	1627363	710050	1467745	137548	857198	871416	217462	869224	412193	1308500	524736	892425	676628	1229954	1150300	1529234	1266500	402994	490504	1001388	311996	389534	176424	1231676	1308096	1206728	1080615	1281206	2087136	1088460	615392	302876	1013688	1638665	150000	822802	1853403	Lipid	0.44444445	1.6666666	0.0
8	C9 H15 O4 Na1	211.09409	211.09433	0.41233855	211.09416	0	845	0	0	0	0	3357	0	0	0	0	0	0	3721	0	1265	0	0	0	0	0	0	0	0	0	895	5833	0	0	0	0	0	0	0	0	0	0	0	1041	0	0	0	2905	0	0	0	0	0	0	0	0	0	0	391	0	0	0	0	0	0	0	0	0	0	10302	0	1530	0	0	1296	0	779	0	757	31639	746	0	641	0	0	0	0	1528	11867	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.44444445	1.6666666	0.0
10	C9 H15 O4 Na1	211.09409	211.09425	0.31422997	211.09415	0	0	953	1108	0	0	4355	0	0	0	1268	1367	0	1821	0	1365	1099	0	0	0	0	0	0	0	0	0	6408	0	0	0	1831	2748	0	1216	0	1343	1285	2177	2502	0	0	0	9015	656	0	0	0	654	2060	1128	0	0	0	2074	0	0	585	2447	0	0	0	0	0	0	11255	1245	0	2808	0	0	0	2978	1446	1051	52964	1954	0	1229	0	0	0	1182	1201	11925	0	0	0	0	0	0	0	0	0	0	0	1440	0	0	0	0	0	0	1408	0	0	0	0	0	880	0	Lipid	0.44444445	1.6666666	0.0
14	C12 H10 N4	211.09782	211.0981	-0.53487206	211.09772	690229	725434	641927	745207	1034287	981144	868402	685554	950518	314285	313426	490640	1254982	1014071	683045	778807	851521	1535515	1229140	459299	443605	396515	566716	420722	694202	157535	877218	413165	1035407	861559	745149	1078115	1224221	983387	450622	940636	1134358	611420	860103	274104	212598	844590	123819	98795	92416	300451	241451	127005	927973	550884	669574	594848	945284	109806	1156976	728641	601508	1048453	369116	295879	763594	154571	1045147	846478	644201	1241513	1028705	744175	122261	226002	181439	729314	867061	912007	701541	864091	80970	550650	517484	352126	446601	309996	622116	391391	926472	623953	732266	787852	1005402	583520	578667	470832	605954	218062	270810	141135	685240	683579	718495	1045746	1124553	1034372	557097	534216	209910	631276	785445	127363	565870	1071092	Unclassified	0.0	0.8333333	0.33333334
14	C10 H14 O3 N2	211.10771	211.10794	-0.12127118	211.1077	13205	15101	11149	11051	15072	10153	7189	9949	8081	0	15681	7815	9938	8381	8477	12782	14030	8590	8465	3329	0	9519	10408	13426	8412	0	9226	13957	6143	8917	7349	13474	9901	11759	5130	8766	13272	9065	12040	2744	3522	5663	3315	4031	3370	4571	0	4374	13485	8014	15669	11636	11812	3219	5756	4672	7944	13840	0	5504	0	1210	7708	7002	3824	13030	5993	16197	0	0	1641	9900	10656	6549	5604	10705	2456	6067	12568	150794	13874	5354	6823	1390	5240	6350	12805	10076	11783	22940	52750	75088	20499	22361	1843	4886	11821	10689	6137	6315	3955	12289	10089	6153	0	13039	6378	3645	12988	7646	Peptide	0.3	1.4	0.2
12	C10 H14 O3 N2	211.10771	211.10797	-0.13338049	211.1077	29010	28739	29073	30624	21224	18087	24356	22174	14647	6469	14628	12671	19096	15971	17994	38358	22252	22759	21424	7836	7228	29858	16009	38625	24362	1350	21045	22022	25523	21425	15395	27468	30871	25799	8096	18074	36510	18923	29101	6820	5576	15809	2765	4234	3391	15500	7055	5357	29668	17270	29273	32265	19930	3699	19231	8796	13377	34749	9869	9086	34012	3783	15278	11676	7837	22482	17277	36748	0	2079	3491	20475	21811	17961	26755	24925	2580	10640	21966	29289	19241	18937	9961	5107	11839	11957	26007	24212	21140	51313	319372	123242	66146	12951	14026	5057	28458	25926	9292	9756	12500	33968	18916	10357	0	34888	12037	4144	25657	28745	Peptide	0.3	1.4	0.2
24	C13 H15 O1 Na1	211.10933	211.10963	0.18786891	211.10938	3371	3045	2885	2800	6436	0	0	136135	0	9265	9898	0	1684	0	3129	0	0	0	0	0	0	0	0	0	0	0	0	35320	0	0	0	1029	0	0	2676	0	1074	0	0	0	5456	1515	2813	0	0	0	0	0	0	5959	3217	3447	1768	0	119874	0	1538	1074	0	0	0	0	3131	1515	0	4782	4195	1886	0	0	0	36047	0	0	0	0	0	0	3004	116179	3702	7326	0	0	0	0	0	0	0	0	0	0	0	33830	5436	0	2967	4357	5504	0	0	1395	0	0	1599	0	2821	0	0	0	Phytochemical	0.07692308	1.1538461	0.0
12	C15 H14 O1	211.11174	211.11198	-0.12851144	211.11171	17675	26880	15536	17903	10303	8928	15647	21675	9554	12329	10684	11857	0	6406	16583	26493	16998	13854	15336	16457	14339	14747	19403	14818	17001	13320	24189	0	16803	17426	15284	15144	20230	15856	14210	16399	15683	16647	25833	10520	12348	9538	976	1188	1259	14843	15989	1779	20998	19731	18944	19966	11355	1158	15732	9324	9970	25942	12317	12778	18539	5950	10595	10810	6232	10844	8767	30194	0	11909	15588	14612	15314	16118	23479	19493	791	12480	19928	0	20441	16086	15802	8097	19012	8198	17859	7811	11872	39765	16257	16033	27073	7768	13952	1197	18183	14579	9422	17203	16912	17843	16183	17725	0	17174	12948	870	20085	9520	Phytochemical	0.06666667	0.93333334	0.0
20	C15 H14 O1	211.11174	211.11195	-0.08019544	211.11172	45108	45607	37320	38681	56873	30250	27798	50962	34462	36005	31233	36832	39361	31301	41055	66588	54185	35731	47415	41268	42971	47768	37956	58432	42919	36743	35071	31365	43367	43262	34981	44491	47060	39046	40649	42834	47162	33749	48318	35476	33179	32673	2820	1381	1641	32313	28557	1927	47656	42015	44186	47202	33357	1206	28597	30000	26216	61778	31774	31894	54224	18062	38060	26680	22116	36151	38221	54845	26284	35315	39852	38254	41688	41045	46138	45650	1233	33643	50570	33867	38180	23945	31238	24626	40899	28701	59088	39743	33875	76576	57539	37932	89467	28991	30219	2143	40836	45627	31662	35570	36262	61228	38175	39300	20503	46264	31081	1855	49375	38292	Phytochemical	0.06666667	0.93333334	0.0
22	C15 H14 O1	211.11174	211.11195	-0.09807956	211.11172	41242	37704	28230	35906	39097	24758	29248	45693	24297	30844	28298	30680	20491	24158	43844	52847	33429	37138	39177	38524	33687	47467	36574	49058	47048	25973	24664	29334	45181	40840	34696	41829	49241	41308	28394	35319	55308	32866	35682	27724	24896	43080	2736	0	1959	34933	25195	0	42069	40620	36453	40306	33493	2144	26311	27352	27016	52457	28006	23859	52370	16032	27489	24983	19563	36803	40223	34943	16228	29638	34638	32036	36481	31830	29221	38106	1343	29592	37063	32325	32538	24542	25157	20183	31125	25602	47113	37140	39092	60265	56262	41994	98111	26511	40226	0	29446	37542	29829	33091	28411	49067	34184	41923	44648	54097	24818	0	35792	26311	Phytochemical	0.06666667	0.93333334	0.0
18	C15 H14 O1	211.11174	211.11197	-0.096698165	211.11172	37604	50551	39945	34048	35232	25306	33306	39168	23853	25452	28552	29094	26102	25181	38051	56074	49517	35397	47549	42987	38032	37108	38699	46358	30844	35890	29917	30474	39350	40259	39468	45311	58422	32149	33573	33747	45795	37323	51468	32093	33244	24072	1989	1177	1263	23364	21677	1321	52265	45369	33604	38195	30574	1258	31491	25317	26140	60178	28410	26320	45709	18317	21303	28425	22317	34206	30855	49625	25825	39055	41163	33059	28241	41648	51819	41350	934	28756	47767	26390	44942	24807	27255	20732	36261	32766	43208	31846	36731	69764	49495	36420	71080	22796	38360	1909	38787	38766	29973	27484	36040	43400	32040	35975	12927	42657	23527	1160	42468	23386	Phytochemical	0.06666667	0.93333334	0.0
14	C15 H14 O1	211.11174	211.11198	-0.10358756	211.11172	28008	20416	26558	22892	16816	10701	25812	28466	19575	21871	12553	22835	13422	11334	21024	29682	29018	14411	19836	21938	20948	28037	21333	25665	23848	21038	24183	12206	18595	21724	25513	30293	28609	20463	17661	22638	24569	24042	36806	21598	20705	12446	0	1080	905	18614	19565	1552	31872	25523	21331	23602	17901	990	19511	17767	16138	30946	18784	22898	22246	8764	15972	15277	13992	21315	13421	36244	0	20303	27720	19241	20736	27120	30220	26214	1242	18796	37579	14475	30004	15684	29192	17707	26311	17315	30603	12785	20348	46528	27521	17190	45405	11873	17490	1694	28551	25543	15670	21931	21707	29297	22473	18571	0	25058	15881	1194	25217	12004	Phytochemical	0.06666667	0.93333334	0.0
16	C15 H14 O1	211.11174	211.11197	-0.1029978	211.11172	28138	35333	24594	25362	24924	19395	37281	33787	26524	28974	22819	27769	27403	17761	34659	39788	39339	26958	28973	32000	30810	32997	30629	36617	30965	24281	29736	18987	32623	29248	34447	25772	37905	22722	19461	33102	31795	31315	49759	28666	24376	23620	2358	1598	1135	24055	25744	1650	39717	32055	27917	35149	24482	1024	24672	20017	25026	41350	21214	27913	36573	14932	24329	17179	17252	22069	22001	42278	25447	28019	36504	28545	31147	32451	34823	39719	922	23288	40034	17401	31538	27253	29266	19308	28598	17635	41943	24615	25685	50599	35594	32218	49529	21918	26532	1883	33922	23986	21908	30398	34905	37462	23590	30317	12063	31921	24468	1140	33966	22637	Phytochemical	0.06666667	0.93333334	0.0
26	C15 H14 O1	211.11174	211.11197	-0.042865314	211.11174	9873	13212	7758	6303	7604	6200	6682	12403	7979	5604	5294	10413	8088	8017	14581	16519	11483	7893	11047	9212	6758	12267	9338	12971	10882	7503	7085	6317	12550	13745	13847	13075	13936	9354	8980	17388	15374	8350	13468	8761	8873	15864	0	0	0	7513	0	0	12749	16600	10806	8210	8841	0	6191	0	7739	17665	8370	6972	18817	4933	6192	4932	4279	8840	7757	14637	8516	9304	9749	8526	11276	12865	8733	13729	0	10800	11223	7498	10842	6827	8033	5834	8832	0	14845	8627	9391	12327	10283	8791	21425	4954	8358	0	7142	9388	8226	12465	9269	14757	13865	10131	0	11912	6219	0	10388	6167	Phytochemical	0.06666667	0.93333334	0.0
24	C12 H18 O1 S1	211.11511	211.11528	0.05488471	211.11513	0	0	0	0	0	0	0	0	0	0	1533	0	0	0	0	0	0	0	0	1799	2300	0	0	0	0	0	0	1233	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2193	0	988	0	0	0	0	0	0	0	0	20675	11661	0	1903	3586	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.083333336	1.5	0.0
24	C12 H18 O3	211.13287	211.13307	-0.10308982	211.13284	137997	144353	133816	141485	144999	133842	483456	119575	102388	73420	70761	83163	112016	216272	145345	146447	158466	126101	172588	91603	81645	82175	102466	98616	99407	98935	384737	174567	128054	129178	100111	138358	163885	107498	81961	135723	153046	141500	186673	64518	72485	182735	62447	28603	45298	85792	68574	31059	158491	105768	130495	126613	118515	44746	145809	133301	171594	153028	78243	81531	140513	59177	135997	96782	236772	146587	169104	176670	52022	73758	78554	93434	101658	114453	109948	125499	42581	94858	109252	209930	94339	84078	257830	195513	188871	230628	154198	131781	139054	145288	281166	235118	154460	73696	80202	34856	132900	143845	119472	188581	430679	178429	86739	109534	74494	106279	194575	33723	106530	124905	Lipid	0.25	1.5	0.0
6	C11 H18 O2 N2	211.1441	211.1444	-0.12938619	211.14407	13116	21864	17625	18272	16951	24356	12818	14801	14419	16518	10241	9063	12078	8962	11757	28336	14287	14806	17484	15805	16353	19755	10374	22777	15105	11304	13244	23915	13566	11371	12949	17213	23149	14934	19850	11799	20503	10627	24143	12289	19869	10644	0	316	329	20361	24529	372	15044	12140	16328	18470	13370	446	10040	6143	6790	22412	4343	9014	19521	8093	13510	7953	7303	13539	12112	23553	9834	12560	17497	10591	14114	9710	12685	10996	388	7762	15497	20536	11780	19244	8149	10285	15032	8999	28707	11192	15543	69653	175716	45212	37892	13588	15214	1489	17132	14640	10875	9051	11332	22722	17418	15412	0	20358	18422	380	17812	20812	Peptide	0.18181819	1.6363636	0.18181819
10	C11 H18 O2 N2	211.1441	211.14435	-0.15946452	211.14407	39090	45569	37026	37879	14238	9960	17706	21031	1668	15947	34460	13758	10585	24241	11557	33388	21733	15860	13273	13025	12130	26471	16722	30119	16118	17105	32905	145922	16879	20896	24139	37403	19791	39746	13039	21357	18682	10072	31239	14045	19505	10627	2685	668	469	41074	47724	756	22454	25916	40493	44168	14114	1614	5485	3227	7174	29775	5089	12768	31951	7017	4308	3732	6650	15847	13482	29393	12043	19488	26648	19317	21364	20164	29464	22894	870	10017	16004	224837	17268	37097	11204	10099	4982	10274	26249	22635	14408	53034	1245514	733930	32441	76082	50885	3852	39603	40741	7456	2757	4883	20259	16358	13835	21020	22982	7626	604	18868	6624	Peptide	0.18181819	1.6363636	0.18181819
8	C11 H18 O2 N2	211.1441	211.14438	-0.14329232	211.14407	15388	18607	11433	15261	6645	5799	9678	13083	4490	10221	5437	8308	3381	4722	9142	22225	14682	5362	9438	13044	12520	17018	7309	19923	8926	13452	10511	14116	11675	11343	10364	14456	12813	10760	13056	11838	15243	7762	20166	11728	17672	7048	932	345	0	43314	58389	0	13200	12138	11737	12315	6407	456	5877	2694	3940	20174	4949	11457	18852	5642	5484	2866	5393	4159	6751	17790	9149	9651	11946	13500	11162	9982	12415	14822	265	10025	10061	27636	8761	42841	9226	9967	5029	5464	16677	7222	10314	23568	65904	28718	25638	14017	13113	1341	14655	13328	5149	4187	3639	12618	15047	14939	14486	18373	5843	0	10684	6573	Peptide	0.18181819	1.6363636	0.18181819
12	C11 H18 O2 N2	211.1441	211.14435	-0.13149433	211.14407	16205	21693	21872	22447	9703	7957	7862	14863	2850	5960	12568	9394	9350	14465	6466	35109	16297	8196	6363	6560	5231	23125	9495	29564	9555	6952	18801	86700	14635	25086	13707	20377	13269	20265	5444	13134	15047	5612	20193	8091	14577	12887	1901	676	609	16968	22939	1092	19442	20277	18966	19737	12934	1422	2160	1836	6318	23150	0	11528	22248	4216	3434	2462	7130	29661	9456	16601	0	11304	9689	14730	17555	17353	27955	18518	0	5828	10501	167653	12200	14919	9599	4792	0	6920	15721	20087	11082	33564	265012	219141	33833	31882	59713	2914	26618	18028	5459	1868	2324	27659	11913	20096	0	17784	5874	646	10559	4947	Peptide	0.18181819	1.6363636	0.18181819
14	C11 H18 O2 N2	211.1441	211.14429	-0.1499041	211.14407	7244	6329	3903	9928	3850	4611	3468	10901	0	0	3626	1936	1468	1710	2452	56220	35771	0	1727	1787	2902	6043	0	0	5640	0	3641	0	7650	5169	4889	15211	23056	41114	3598	8579	28981	2350	35713	2207	5073	6950	0	492	363	2063	0	391	16723	5182	7955	5819	3707	398	0	0	1162	47897	0	0	79283	0	0	0	1885	3556	4805	34656	0	2823	2951	9552	9548	3878	10330	7221	249	2217	2329	0	1692	5661	4617	3052	2163	0	3530	8712	4444	11411	25968	16134	3937	3534	6829	1941	9613	7663	1132	1603	0	15117	5416	3584	0	16343	1442	373	5113	0	Peptide	0.18181819	1.6363636	0.18181819
16	C16 H18	211.14813	211.14835	-0.111867055	211.1481	9816	9143	6384	9726	4646	3463	13171	9581	4689	4976	6365	8964	5468	3516	11951	17678	20975	4551	5086	6848	6231	7524	9575	8876	10840	9045	12119	3370	10601	18148	14149	9999	16022	7073	3509	9786	7682	10524	27308	4276	10149	8487	769	0	0	6140	8734	0	13513	14315	8425	13832	5122	297	5157	6633	4806	18349	6756	11198	12989	3844	6949	4041	5477	4139	6686	24058	7480	7694	11236	8758	9161	9890	20392	15293	0	9361	12727	7796	10936	8630	13129	8345	9545	7223	16735	6748	7665	29817	7574	9895	0	5280	6499	432	10035	13408	8878	9076	11171	13192	8436	10457	0	0	5939	0	12288	3061	Phytochemical	0.0	1.125	0.0
22	C16 H18	211.14813	211.14835	-0.113403976	211.1481	36372	44375	26752	37355	29328	21880	34287	54176	21748	22412	24769	33902	15031	29212	35414	54754	87068	29033	30535	31148	32544	38172	35181	38273	48052	29723	40502	20500	50401	44763	33662	52341	53148	44396	21521	50021	42467	37651	82094	28940	26339	41427	0	0	643	23149	29816	0	41702	47390	34705	37269	27577	847	21906	22752	23418	54794	23572	29930	44018	13101	17581	23953	20514	27125	27122	80653	19216	27995	33788	32656	32818	45288	57935	49441	651	29516	56899	29058	35682	27199	30888	26496	27205	29904	64289	31328	30447	109607	53187	47224	58151	31664	35555	0	36777	39688	35369	32936	32824	53339	34224	36824	18797	45596	29491	0	51876	21544	Phytochemical	0.0	1.125	0.0
18	C16 H18	211.14813	211.14835	-0.10753282	211.1481	24084	26384	18343	14092	11488	8030	19683	28564	10864	8023	11562	16469	12270	10487	15768	34408	41302	12113	18839	9879	14430	13373	16810	21392	17962	16350	23825	6427	24731	22738	21288	26450	28966	20786	11899	21630	20071	21442	43847	9811	14797	13399	803	0	300	10931	13053	411	26124	19428	16531	16858	13120	497	11372	13368	14707	28587	12645	20385	22680	6794	10670	8173	10247	13267	11591	42188	11752	11853	19944	15481	18066	25483	37544	19961	0	12601	26534	12453	21675	14492	17687	13954	14756	13258	28453	11324	13544	55084	28736	19526	33576	8052	10246	0	17376	19388	12131	17499	16167	27047	17545	17164	8533	15198	9453	0	25761	7254	Phytochemical	0.0	1.125	0.0
26	C16 H18	211.14813	211.14836	-0.049484197	211.14812	21331	25272	21465	18347	18874	11262	15027	27838	18089	8582	18111	20858	11769	14199	35931	38007	32125	14122	22454	21406	15438	32223	20286	22461	32539	17771	19571	21661	26752	32494	28428	34645	28537	21773	18171	38535	27515	33323	34350	16195	18297	86403	0	0	0	14321	10433	0	26681	30255	23296	22056	16838	0	15977	13398	15158	44132	14936	12518	36750	10936	10921	9701	7666	12558	21356	33585	15008	12438	11340	16490	21612	29467	30297	35822	0	27427	31432	35888	17831	14744	17144	13547	17885	11409	51173	15099	21216	55027	30198	20726	51209	23744	23147	0	18618	23755	19042	18043	14512	33046	21113	22553	12607	28389	15421	0	34940	8343	Phytochemical	0.0	1.125	0.0
20	C16 H18	211.14813	211.14835	-0.11216183	211.1481	30073	31107	23862	25941	22135	12526	31556	29704	19287	16668	17206	25672	16254	14080	34202	47424	55060	19870	19911	24147	24372	30834	20739	25422	24399	22233	35202	14943	26852	33250	26030	34606	34681	28132	12946	29724	30211	25031	54975	19766	17404	27399	847	0	307	18753	21151	492	35946	34448	31888	29958	14532	538	17271	15010	17265	43134	19466	25188	31251	12295	11481	12984	16258	18153	23355	53642	18190	21913	28379	23331	30144	36853	58211	35001	0	22882	39591	27955	26578	12307	23646	14421	19641	16276	43366	22980	23878	79509	35194	23275	50711	19989	23111	606	28335	27417	19655	23657	28622	42686	23659	31317	12176	34245	19902	0	35122	12840	Phytochemical	0.0	1.125	0.0
18	C13 H22 O2	211.16925	211.16948	-0.088618554	211.16924	19114	17349	18275	19652	11597	15878	131066	13538	2592	5847	8708	8356	10479	106625	9111	15019	26664	6526	10460	8799	5896	10685	8096	7350	11580	35806	117742	24545	11998	18418	12138	13737	8240	11527	6920	16888	11216	11622	33099	4745	15723	15134	24026	7426	8793	7163	12275	8035	19757	11579	17384	20373	7342	12397	2733	7801	15091	20586	3899	16679	26723	6170	25183	6387	61686	18401	45216	40943	7256	5542	15072	12569	11296	20665	26232	12640	8432	5467	12882	36286	5713	14798	87724	185178	9416	13739	25775	11767	15441	42503	29171	20310	25877	2847	9028	10055	22229	21980	16288	9868	13431	18958	7774	14379	5806	12898	11457	7183	15972	5004	Lipid	0.15384616	1.6923077	0.0
16	C13 H22 O2	211.16925	211.16948	-0.10021355	211.16924	5960	6170	9083	8907	12581	13592	44056	7981	0	2963	2642	3126	13719	48065	2924	14463	20618	2358	6701	0	2401	3368	1960	5679	5299	13314	46310	8050	10511	11601	5122	14216	7054	6466	1844	10025	8884	2913	16424	0	5581	19524	5217	2513	3103	3915	12755	3037	16563	6793	8394	10108	5121	3838	0	6029	7867	14087	1205	8162	13623	1087	11096	1368	20064	12351	18839	14205	2465	3717	6541	8015	16621	15344	14380	11424	3109	3142	2758	11484	2836	3592	36455	87607	7358	9207	12989	8925	11008	33359	5877	7121	0	0	2357	2990	9239	11588	10206	6422	11089	12937	4696	6641	0	0	10646	2390	4675	2893	Lipid	0.15384616	1.6923077	0.0
2	C12 H22 O1 N2	211.1805	211.18082	-0.104323626	211.18047	10213	10482	10462	9669	1730	0	3380	5981	787	10488	4193	2567	810	688	4188	19164	6914	2534	2649	8011	8002	11653	3318	15556	13593	8555	3755	5034	5715	3293	5086	5563	4382	4402	9953	4559	5349	2437	6214	7753	5452	0	0	0	0	10142	16803	0	5571	4490	8408	9334	3420	0	965	390	836	21987	0	290	18405	3321	1248	633	0	2180	2600	9096	5713	10334	13546	2658	2867	3314	5834	4418	0	2473	9182	6800	3345	3952	545	5903	679	1082	35323	3656	4265	130131	60016	7234	33879	4941	11831	0	11515	11003	869	301	329	3890	2594	6155	7075	16628	763	0	13217	1444	Unclassified	0.083333336	1.8333334	0.16666667
4	C12 H22 O1 N2	211.1805	211.18083	-0.07767358	211.18048	7247	8456	8676	8284	1473	13751	4288	13299	603	7172	2988	4569	609	0	6605	17030	11857	3218	5594	5642	6795	16382	5921	17238	10406	2216	5815	3727	10043	4755	7143	9406	5729	8201	11399	7923	4889	6751	11335	5112	3904	2436	0	0	0	7007	7790	0	11837	9510	7487	5885	1840	0	1689	0	1520	19799	0	0	15437	3035	1400	1578	0	2690	2970	14161	1746	3056	3344	7150	6043	4980	10095	5989	0	5202	12055	4147	7654	1341	450	4809	0	2071	17689	5542	5690	41164	13310	2543	33587	8180	11442	0	7302	8277	820	0	408	6504	5002	4419	0	15676	464	0	12174	710	Unclassified	0.083333336	1.8333334	0.16666667
0	C12 H22 O1 N2	211.1805	211.18076	-0.23639609	211.18044	1814	0	2434	1793	0	0	1642	1502	468	5006	5820	0	0	0	0	0	1248	0	0	0	2641	5794	1556	1964	1586	6144	0	14735	1493	0	2656	0	2127	0	3797	0	0	1529	2237	2149	2701	0	0	0	0	2419	6589	0	1260	0	2455	2100	1045	0	0	0	0	2818	0	0	0	1768	0	0	1893	0	0	1854	2636	2853	3594	0	0	0	0	0	0	0	2358	15013	1395	2683	0	1571	0	0	4573	1633	0	24903	5687	4027	11007	3966	0	0	0	0	0	0	0	0	0	0	3728	2894	0	0	3704	1892	Unclassified	0.083333336	1.8333334	0.16666667
24	C14 H26 O1	211.20564	211.20584	-0.13199112	211.20561	21252	21338	22081	20928	7989	13706	376697	14867	5138	13284	29740	11732	2331	236718	15051	6810	23109	2622	8122	11484	9318	5925	7537	8275	8890	48575	397546	54858	10445	8553	6808	7217	4948	8601	7352	10255	4898	14456	25816	10435	31563	18943	78925	23084	31697	15093	49753	20272	8576	10774	18726	19311	6477	30741	4059	17348	20935	6542	15305	50436	23871	16727	45847	4573	207705	4889	32415	16007	25504	18323	35461	6500	6971	11076	11672	9482	48101	12068	8720	56279	10376	31112	88674	166065	6942	10968	6720	14098	12924	11302	39864	27958	5817	12206	15168	26219	19107	26706	20007	3455	4878	7906	8755	38221	18577	4077	6439	23379	11942	3598	Lipid	0.071428575	1.8571428	0.0
22	C14 H26 O1	211.20564	211.20587	-0.08843572	211.20563	4360	5155	3758	5875	0	4845	156827	1627	0	0	3366	0	0	101953	0	0	0	0	2534	0	0	0	0	0	1335	34796	137212	6045	0	0	0	0	0	0	0	0	0	1275	2131	0	2506	6436	9852	0	2796	3354	3469	3808	0	0	6321	2934	0	2727	0	7930	7148	0	0	4222	7916	1524	14397	0	65765	1506	13327	2310	1476	2834	2903	0	1064	1290	0	1282	3808	0	0	4241	0	4384	26046	163095	0	0	0	1210	2719	1331	0	0	0	0	0	3321	4472	5616	10908	0	0	0	0	5987	1198	0	0	2782	0	2239	Lipid	0.071428575	1.8571428	0.0
14	C9 H9 O3 N1 S1	212.0376	212.03783	-0.11699931	212.03757	11794	11412	12086	12028	12238	10663	12319	14468	4332	0	1438	9753	3817	4190	7284	31854	22931	12428	15114	2568	2367	15512	6119	23934	12208	0	14622	0	11376	10546	11288	14602	14851	19981	0	12577	22694	5653	23045	0	4214	14619	0	0	211	3693	0	509	20135	9084	12570	9723	11567	0	3397	1838	6885	35409	0	7601	27041	0	3599	3303	5149	9485	9323	24949	0	0	0	13725	13671	5419	12651	10878	0	6722	9519	0	6417	1466	9787	1115	2031	3711	20654	22180	18089	72319	8558	11978	54735	0	0	0	11848	7799	2779	4670	3531	21064	6936	13952	0	42357	5154	0	20541	8516	Organosulfur	0.33333334	1.0	0.11111111
12	C9 H9 O3 N1 S1	212.0376	212.03783	-0.084876366	212.03757	6890	10572	7041	5641	8459	6126	5127	4559	2416	0	0	3631	3460	3078	2578	18025	9864	8105	7564	2348	0	8352	1526	13658	3490	0	4575	0	7303	6943	5323	11376	11344	12464	1381	4652	14653	2462	10734	1183	0	5864	0	0	271	1400	0	0	11514	4108	9461	5373	6457	0	4245	1816	2242	14020	0	0	0	0	0	2122	1259	3573	2824	9875	0	0	0	6389	4133	3692	10584	8744	0	3704	2408	0	2118	1396	2330	0	1301	2146	8732	10202	9869	22109	11989	4856	16571	0	2643	0	5850	5497	2268	2362	2193	16133	6106	3801	0	12692	3430	0	5966	6253	Organosulfur	0.33333334	1.0	0.11111111
12	C9 H9 O5 N1	212.05534	212.0556	-0.08198044	212.05533	16662	24901	22602	20682	25934	31666	10635	15965	29114	3620	8224	18473	27503	22207	16742	27029	26801	50526	39969	3362	2280	24506	24098	21086	12277	1084	10483	0	15696	16182	21869	18094	26929	14103	6916	13158	29852	13997	30331	3353	0	28868	3679	3600	4082	5205	0	3666	18830	13463	20916	20765	30483	3538	27479	11244	17547	24117	8283	0	19315	1854	36922	24388	15809	32236	29052	19522	0	2705	1176	15017	12063	10495	19773	13760	2366	15478	20632	0	12414	3998	4297	1102	17272	14272	15642	33297	30780	28535	10966	15345	33904	5145	7349	4430	21430	19264	15271	13368	16460	27082	17655	8252	0	34109	15813	3449	11546	53336	Phytochemical	0.5555556	1.0	0.11111111
10	C9 H9 O5 N1	212.05534	212.05562	-0.05277365	212.05534	39205	37015	36278	30192	77882	57937	15937	32444	68460	10405	33984	33799	76068	43246	27134	52985	47084	111506	99441	7592	8362	39211	41144	40628	17364	0	27052	10959	31598	23310	30802	38683	63255	32998	15447	29375	61053	28224	61754	3234	4196	52254	3708	3172	4418	9256	5159	4011	30254	23609	37060	40448	64486	5067	62011	27237	28494	51307	4166	5941	49537	2236	109656	74571	28110	83871	55705	59988	0	2517	3109	32707	31213	21143	29695	31009	3121	24445	31180	22506	27022	8463	4787	1721	38308	24753	38318	70453	68087	77174	21819	28030	73942	11467	9919	4633	40238	32148	33114	30232	33581	51303	31832	6529	0	55280	33518	3698	21821	173602	Phytochemical	0.5555556	1.0	0.11111111
6	C9 H9 O5 N1	212.05534	212.05566	-0.05106218	212.05534	66327	79466	60870	70889	81103	64693	29754	105433	75307	15276	20988	75864	100503	47027	43220	159241	138418	189876	173110	10824	13985	51443	58479	112361	25758	1657	33784	9174	93118	86608	117046	124812	148432	122654	21592	89908	147732	42152	170592	4795	4254	91770	3106	2400	3454	25087	5492	2032	118562	81635	77652	75957	98769	3921	62061	32809	43816	141611	6772	8342	144908	2595	155971	64917	41964	119761	102834	179201	3894	9581	5371	94831	126587	110197	75135	106021	2002	39140	31764	4528	28314	7319	5357	2612	55128	44960	43325	114665	153779	112414	16317	15869	100990	8628	8726	3538	72666	62881	36583	39646	41754	123822	65385	9841	0	126566	41347	2327	29070	246558	Phytochemical	0.5555556	1.0	0.11111111
4	C9 H9 O5 N1	212.05534	212.05568	-0.08180345	212.05533	14040	17637	12238	13497	23916	15991	6332	15695	21308	3739	4552	11493	27894	15029	8441	16706	19000	36679	31517	4177	5648	14246	15450	15920	7326	2294	6047	0	12963	14031	14639	14146	19665	13392	9504	13186	18987	9899	22622	3358	3486	24696	3124	2702	4309	6328	3279	3380	15855	12903	12789	10371	20566	4497	18055	26496	14767	17826	3917	3567	18012	2032	39800	20989	15529	31204	17572	23162	3399	3352	2428	12799	14316	12784	10415	16340	2195	8142	10449	0	9845	4364	4119	3092	22183	14818	10972	26358	32663	19059	5712	3244	21529	3671	4180	7028	12446	16329	19307	27053	25898	17454	12119	5441	0	16313	16140	3730	8401	49056	Phytochemical	0.5555556	1.0	0.11111111
2	C9 H9 O5 N1	212.05534	212.05571	-0.015004782	212.05534	6954	7116	4349	6998	17644	0	3760	6889	14426	2399	1822	5626	29486	16214	5632	2952	4999	15951	13248	2436	3894	7320	6490	7041	4010	1454	1872	1135	8770	5818	5973	6468	11931	6288	4275	5562	8983	4828	4181	3009	2748	8783	1839	1765	3279	3920	2841	2226	6595	4534	5513	7131	11092	2798	11034	7643	6975	10033	3053	2244	4433	1691	23922	10683	5440	26733	8465	7558	3096	2442	2518	5555	6989	5565	1426	6599	2122	4263	5026	1885	5585	4063	2293	1721	7316	5483	4520	11926	13718	6268	4121	2491	8680	2198	2552	4501	7682	6477	7532	9138	9637	7515	6925	3109	3403	7448	5899	2196	4523	26768	Phytochemical	0.5555556	1.0	0.11111111
14	C9 H9 O5 N1	212.05534	212.05557	-0.075675495	212.05533	9957	13551	12366	19793	27583	56319	10524	14802	14587	2663	7297	16697	16575	23298	16001	14606	15651	24904	19081	4157	3392	12272	17567	17794	10178	0	13071	7149	8602	18928	13489	20547	17486	17093	3779	15250	17689	13728	20990	3134	0	19195	3036	3006	4419	4040	5352	3916	21455	9737	11491	14920	20995	3466	11784	8635	13782	26992	0	0	0	0	19644	14939	11629	26312	14387	23073	0	0	0	18441	15307	10747	12891	15695	3024	14328	19633	0	14856	1866	2664	1218	10552	9900	22062	28179	24487	33726	9320	8085	24780	4291	4316	4309	13434	9307	13327	11233	8503	13709	16624	3934	0	25569	10894	3276	12326	33097	Phytochemical	0.5555556	1.0	0.11111111
8	C9 H9 O5 N1	212.05534	212.05563	-0.07460456	212.05533	42903	48667	38289	44032	63057	57285	20806	36284	64431	11053	15140	38844	82295	36461	35300	60386	64337	117185	121318	9686	10357	40067	52463	48428	24109	1806	24118	7657	39154	30025	40285	43101	63459	35478	12855	33917	63753	32372	67755	5164	5757	60250	2796	2450	4301	15487	7454	2844	39050	31551	39495	42716	63833	3769	61307	30026	42842	53396	5805	5595	51058	3736	111820	66677	40570	94352	61016	64219	3499	4714	3242	34564	39196	28185	36326	38077	2752	26413	36571	7052	29406	7487	7138	2445	45814	37838	42791	86815	87265	75665	14931	18044	81856	6376	6487	3934	40409	41298	36280	32661	35675	57406	37930	8719	0	65537	36448	2457	29541	174806	Phytochemical	0.5555556	1.0	0.11111111
10	C7 H9 O3 N5	212.07782	212.07802	-0.103743084	212.07779	2333	2059	1719	3017	0	0	1427	0	0	0	2251	32808	0	0	7256	2589	19567	0	1159	0	0	0	14066	1534	0	0	1634	0	0	0	1509	0	2583	0	0	0	3764	10453	12308	0	0	1486	0	0	0	0	0	0	1649	1948	1277	1732	1005	0	0	0	3953	0	0	0	0	0	0	2390	8037	0	1349	15213	0	0	0	2135	0	0	3950	1339	0	11787	4656	0	7068	1169	0	0	0	1613	2324	7513	2340	1598	0	0	1872	0	0	0	2461	1247	0	0	0	4942	24675	0	0	6909	0	0	1733	0	Unclassified	0.42857143	1.2857143	0.71428573
0	C8 H14 O4 N1 Na1	212.08932	212.08969	-0.063570306	212.08931	3252	3321	3895	2604	1921	0	0	6308	1094	0	0	1804	2559	0	0	3467	0	3558	3602	0	853	2324	0	5023	0	0	0	0	6948	4604	4642	4106	8377	20514	1123	5382	7502	737	0	1624	0	2735	0	0	0	1687	0	0	9525	3044	2649	3338	1951	0	1442	0	0	4912	648	0	3026	0	0	1162	0	6496	3385	0	0	0	0	20485	15543	5338	3309	5778	0	1218	0	0	0	0	0	0	0	0	0	9630	2807	3146	1887	2095	3928	0	0	0	2854	3274	468	374	1218	5450	0	1993	0	5941	0	0	0	3708	Lipid	0.5	1.75	0.125
2	C8 H14 O4 N1 Na1	212.08932	212.08972	0.070574366	212.08934	3507	4371	2637	1573	1250	0	459	868	848	990	0	1760	0	485	599	7023	0	956	1082	484	0	1434	729	6230	0	0	0	0	0	5753	1087	2020	0	3008	0	2600	2072	687	0	0	0	0	0	0	0	1917	775	0	4607	5013	3008	1942	1230	0	0	267	1306	2898	368	515	4021	0	0	971	0	1602	1892	633	0	0	0	2435	3071	2112	26103	2615	0	437	535	0	304	0	0	0	0	1014	0	3546	1947	0	0	0	1931	0	468	0	2620	1623	548	297	342	2658	638	1824	0	2275	678	0	0	0	Lipid	0.5	1.75	0.125
0	C10 H13 O4 N1	212.09174	212.09212	-0.06437107	212.09172	14916	19139	13283	15235	35009	32846	8669	25853	24114	10295	8915	11785	44300	28958	13536	8979	9702	49157	35769	13360	20639	25265	14664	18030	12302	8023	8950	7884	34514	13518	27749	24586	49570	26691	20988	21566	26704	9291	12658	14604	7755	29142	8067	10458	11873	17375	7497	8770	26275	14571	15075	14305	35674	8839	23009	18581	11441	35074	9960	7653	16131	6735	44799	24746	12107	35932	42362	11176	9868	10203	6968	20321	28290	18950	6574	23166	8772	11817	9309	8218	9943	11422	9536	7045	12859	11340	8190	24080	36718	9790	20030	17633	26548	7993	9734	11922	14308	17457	15477	16881	19128	25569	13446	15060	10284	28157	15728	8584	9020	66852	Phytochemical	0.4	1.3	0.1
14	C10 H13 O4 N1	212.09174	212.09198	-0.090669006	212.09172	52196	55998	43189	56497	43370	45338	80472	60130	47215	15137	14128	49780	38529	38559	76140	65930	48646	56684	57166	18863	18675	39988	47963	46741	66349	3072	66674	14405	61986	62503	71780	82784	80510	77483	19276	68997	92579	64964	53912	11596	10931	50236	8950	11722	11670	21387	12239	12462	86688	51505	60634	49352	49534	10538	54827	37022	61764	85551	31814	18414	53352	8315	43993	36693	39479	49429	44882	45288	0	5900	5983	63114	65081	56723	43403	66704	9134	52619	53525	0	51550	19506	33413	9382	37431	41263	66504	64702	72640	78462	45918	35130	86399	10805	12402	13646	55297	46854	40596	37502	38632	75675	63606	31867	0	84157	35325	12544	72614	47585	Phytochemical	0.4	1.3	0.1
2	C10 H13 O4 N1	212.09174	212.09207	-0.07703345	212.09172	63945	66229	50569	62284	109408	67045	38586	67126	87668	26851	34054	47258	137425	64401	41746	43787	100765	142573	106435	32702	38372	57361	42753	55842	29680	10249	31265	24293	77239	61679	79355	86534	114818	78393	47654	68615	113368	35800	123869	29908	20808	77337	8232	8357	12028	29515	23362	10444	84961	37784	56963	68215	112448	9060	86460	74421	53422	96112	26002	26679	50285	13249	131513	83566	47355	130738	92054	118216	16382	17982	17447	66941	91573	66100	38336	83714	7764	41891	33508	12981	32578	23371	23345	14795	70743	56647	32132	127822	116779	55942	40282	43610	67669	21431	17964	16581	60825	61867	66444	87861	91302	93342	55961	33693	22407	82836	65876	9934	33502	171979	Phytochemical	0.4	1.3	0.1
6	C9 H13 O3 N3	212.10297	212.10326	-0.15035115	212.10294	14438	16497	14351	15919	5038	5918	13330	25867	4927	2520	3092	12907	3427	2576	17359	35861	22500	11071	11456	2568	2652	27260	21935	36406	22862	0	10828	2304	16442	13851	20477	16391	16546	14873	4507	13628	18101	17919	27144	1375	3019	8682	0	0	241	9885	5016	295	20859	20288	15849	15184	8500	266	7200	2375	7506	29785	5413	5301	35682	2485	5232	5840	6567	6361	9757	30533	0	2093	0	19777	16420	11525	10203	14378	251	10499	22444	3690	19476	5797	4915	1927	5968	6129	28064	12234	12496	77339	5290	7845	71981	3219	4820	370	15491	13677	3168	2612	3840	19433	12905	7118	0	35077	4125	0	25451	8458	Peptide	0.33333334	1.4444444	0.33333334
4	C9 H13 O3 N3	212.10297	212.1033	-0.13045238	212.10294	12739	14913	12566	12569	8220	7329	12792	20540	9116	5422	5951	15353	6117	2640	12528	19726	32409	12449	14977	6146	6345	16566	14464	29160	9095	688	13704	3332	16240	15434	16270	15496	23014	14593	8948	16784	19977	13586	39311	4984	5635	12726	0	0	330	8352	7482	413	18615	16341	14233	10763	10751	334	9707	5038	9735	20444	6557	12549	20033	3158	7712	7588	8962	11434	10115	34290	1203	1962	2340	15414	13739	11824	17023	15039	0	11413	13518	4737	13668	4977	6600	2925	9792	11775	12837	17870	13413	30601	10557	7421	36450	3998	4668	773	12953	14453	7153	6061	6680	17236	14752	9799	4181	19861	10404	337	12963	9128	Peptide	0.33333334	1.4444444	0.33333334
4	C13 H13 N3	212.11823	212.11862	-0.29145965	212.11816	0	0	0	0	387	65218	0	128193	0	0	0	9144	3181	0	93335	125368	97271	8679	1256	22354	1286	0	834	24857	107254	841	0	3180	149297	8104	2385	0	0	3707	0	121761	0	1241	3364	0	0	9601	0	0	0	0	0	0	2013	114667	498	0	6994	12818	989	267	804	0	0	0	4653	0	0	404	36390	3598	283168	0	1747	0	0	627	0	39881	0	0	0	4639	720	38127	0	0	0	0	1596	294899	626	4102	838	887	0	0	19891	0	0	0	648	1721	0	0	2726	0	0	26446	0	2616	312	0	0	0	Unclassified	0.0	1.0	0.23076923
6	C13 H13 N3	212.11823	212.11848	-0.049701598	212.11821	195351	207264	190272	197089	1022806	291998	131396	1527	30761	13718	15427	94002	336809	215595	0	21228	86570	420550	528436	5657	13122	5971	42446	31756	1256	0	182425	13135	12663	121493	121859	194436	97052	210878	14359	55762	93739	88925	232394	5462	0	391684	10065	0	0	9311	3907	372	266864	1049	214211	211707	745410	0	59473	29102	290065	123624	0	655	143257	0	163708	0	815533	2251798	3649797	415885	0	11250	12712	131448	128430	23323	220687	161230	0	83766	51646	0	35282	955	559	2140	53047	11430	47572	1984547	688258	93041	53193	0	52660	1631	1850	1285	197441	174625	72786	12981	172091	122526	66499	0	0	81044	38599	1267	67106	20855	Unclassified	0.0	1.0	0.23076923
16	C11 H17 O3 N1	212.12811	212.12834	-0.100736685	212.1281	34910	34851	45877	36114	55391	45340	47213	40567	24906	14680	18249	38883	37805	37606	31983	50836	99100	53284	46894	25195	23321	29410	17701	31504	38101	0	48019	22216	73627	55002	54401	77035	113946	84269	27848	67297	108662	23444	107562	11084	8778	36363	4496	3127	3360	13190	13010	3735	84780	39275	32156	35949	52460	4374	18969	15860	19613	74088	15383	17121	47743	7853	17709	21814	19700	46856	43106	104683	3879	2135	0	51582	63025	57576	73081	71154	2950	30870	17017	20182	11427	15755	17284	5423	15073	21014	29892	42126	46863	33792	95691	88417	32495	15668	36346	4266	31986	46679	27687	17703	25678	89260	29631	18829	0	44321	39340	2983	25205	37813	Lipid	0.27272728	1.5454545	0.09090909
2	C11 H17 O3 N1	212.12811	212.12846	-0.10571391	212.1281	93900	95625	82583	90769	75633	71081	42635	86827	74147	108688	67134	54041	91900	42024	44921	63365	95847	122844	124108	110034	147659	137027	50256	72464	39024	18883	35300	43834	108302	80215	105087	115034	175195	94848	148372	99838	145500	45330	117283	127827	105752	74910	3792	2187	2536	65475	70869	2350	116783	69975	89924	96660	91096	2408	86336	40435	37773	142101	35312	64393	68168	49983	101082	74587	35721	102543	89804	124346	30589	48729	55038	91797	111526	88993	47896	95236	2089	49590	36878	29816	33289	33916	40004	45066	46787	37450	59251	83654	103271	94464	102775	132217	109036	69954	82342	3681	92519	87015	49846	50932	47307	132383	55881	123965	40301	107201	43454	2042	33676	150992	Lipid	0.27272728	1.5454545	0.09090909
12	C11 H17 O3 N1	212.12811	212.12837	-0.13129602	212.1281	176283	218804	209702	189139	68659	206544	99159	116238	41600	357775	155824	54546	62408	121189	56994	300806	166008	142111	72254	372772	263337	203828	47665	106842	77152	31216	158489	113243	128341	198744	114206	273504	345414	182298	264229	176292	236569	55297	177344	155878	153039	201245	12753	3660	3637	204420	295242	3334	407932	363175	196107	181470	71992	58192	46371	27505	44511	234468	63916	463817	171240	58023	183002	31653	37392	259345	71511	186573	18600	42357	54233	114595	145123	152430	292321	234091	2301	54416	42317	82776	32313	84954	92737	74228	36059	51228	75343	210654	82109	132681	382032	249129	179526	98009	531779	7466	201916	218738	41088	33954	41161	272052	51160	159024	53559	105201	54870	3449	62423	446910	Lipid	0.27272728	1.5454545	0.09090909
24	C11 H17 O3 N1	212.12811	212.1283	-0.03805974	212.12811	1651	1139	0	2199	0	1183	0	1610	1064	1505	0	2356	0	12719	1670	0	3645	1577	0	1632	0	2470	2069	2250	0	0	2589	0	1436	3387	1226	3291	3238	2270	0	2734	1177	1306	0	1383	0	1901	2489	2246	0	0	1490	2531	1989	2571	1045	1639	1500	0	1242	0	1634	3151	0	2222	3471	1105	0	1143	25040	1706	1083	2869	0	0	0	2881	2001	1249	1238	3920	0	1552	0	1384	0	1770	2128	0	0	0	0	2107	1937	2169	1822	0	2464	0	0	3496	1290	1290	1156	0	0	2793	2725	0	1469	3100	0	3858	3141	0	Lipid	0.27272728	1.5454545	0.09090909
6	C10 H17 O2 N3	212.13936	212.13965	-0.09415845	212.13933	3073	3176	3856	2755	1783	981	3191	2793	1070	1976	0	2647	859	423	2472	6692	7162	1982	3573	2186	2383	5338	3715	4254	3790	1524	2942	0	1936	2911	2937	2561	4686	2117	3710	1170	5109	3986	8169	2183	3852	1203	0	0	0	2694	3093	0	2880	2046	4261	5144	1509	0	1221	698	1085	4768	0	1293	3727	1356	723	908	1003	2255	1136	8880	1546	1619	2747	1638	1856	1400	4411	2649	0	2795	10560	0	5887	2259	1677	1543	947	1243	11430	1867	1501	20148	4587	2390	15842	1417	1924	0	4156	3018	592	493	0	4971	2337	1719	0	4099	1528	0	5740	1211	Peptide	0.2	1.7	0.3
4	C10 H17 O2 N3	212.13936	212.1397	-0.096986264	212.13933	14974	15970	15111	15348	11285	6950	9435	11520	6935	11264	4639	6878	8499	1697	6579	31639	17585	16897	15719	13522	17045	42801	12240	21685	21664	5937	8817	3750	8958	8026	24441	11518	48306	11099	23949	9999	35437	8251	24117	13401	12434	5946	0	0	0	11462	9305	0	11949	8491	16768	13736	9077	0	9623	3090	4857	50660	1771	4037	29100	6671	8729	6279	3244	8735	5660	25839	7367	13702	13773	8712	7077	15181	15752	7959	0	6889	34124	6895	13715	6562	5994	7628	4803	4476	41069	14360	9475	109408	22755	27275	96877	7487	11008	0	12508	15135	7286	3332	4264	35566	7081	7241	5123	37140	7357	0	22719	10754	Peptide	0.2	1.7	0.3
8	C9 H17 O1 N5	212.15059	212.15086	-0.135806	212.15056	45169	51157	46602	48944	349287	174672	27943	24105	29278	17250	6755	14292	77501	122430	10583	28286	50689	137310	202304	17292	12504	5755	6889	23766	13837	0	33126	5161	42912	19830	21040	39497	44073	39352	21092	34283	44559	9447	57565	56380	9983	83720	880	0	0	18755	27869	0	50216	23075	47880	46798	203555	0	61407	20445	54730	29195	0	0	25302	18267	558067	53916	75349	131165	165494	66867	0	0	0	24088	26560	9755	32903	26407	0	13554	9557	2794	12089	1118	0	30545	32237	101175	8558	119195	126539	26578	27252	0	27544	3910	5975	0	38201	48865	115922	18577	28490	36795	11909	48642	7155	19753	174906	0	13914	32490	Unclassified	0.11111111	1.8888888	0.5555556
10	C9 H17 O1 N5	212.15059	212.15083	-0.09948613	212.15056	11918	11668	13397	11386	1735	2388	21858	2551	9057	1002	0	12257	3061	97693	32630	3276	4601	42192	209438	2600	0	0	13254	0	24907	0	31516	0	1060	1371	0	0	3896	0	0	1924	83580	24101	12371	0	0	0	0	0	0	0	0	0	1293	1644	12903	14992	0	0	131062	5525	22453	1918	0	0	0	0	30547	80008	92548	4593	2315	3944	0	2052	0	0	0	0	4896	1814	0	22672	3109	0	7195	0	1781	0	207076	74947	2976	3033	2132	11008	0	0	5254	0	0	0	14394	12861	22316	18531	42561	5528	22765	0	0	2183	48471	0	5745	3515	Unclassified	0.11111111	1.8888888	0.5555556
6	C9 H17 O1 N5	212.15059	212.15086	-0.14832363	212.15056	11707	12651	10718	14156	13986	6732	8160	6928	3164	0	0	6988	55753	2651	4219	14159	14954	51874	56616	2606	1521	1075	5299	13583	1802	0	10147	0	7776	7630	7158	9626	23284	10179	2260	6903	22838	6644	17208	0	0	13412	0	0	0	2035	0	0	15755	4963	12688	12932	18757	0	42098	19409	11606	12089	0	0	11210	0	88119	28838	16072	42548	15364	23812	0	0	0	12610	5400	3408	13340	8715	0	5740	4370	0	5715	0	0	0	14250	13265	5989	20748	22685	15642	10057	0	14036	0	0	0	10711	8084	3172	12543	20159	23516	4665	4516	0	12414	4635	0	6536	8530	Unclassified	0.11111111	1.8888888	0.5555556
10	C12 H21 O2 N1	212.1645	212.16476	-0.09731272	212.16449	9806	10146	9764	9254	9552	1990	2930	3770	5391	13490	6502	3450	8451	3814	1503	7059	4365	5333	6702	18550	19003	10972	2742	9082	3725	5039	3857	5677	4182	4936	3847	3533	5940	3098	16575	4252	6024	1749	9574	15177	15233	2006	11300	456	418	7870	9273	0	6416	3250	8769	5971	5636	744	4199	5264	2333	9313	0	2761	0	7687	5504	3481	1357	8185	4414	7753	8976	5899	9912	3126	4376	3843	5925	4450	0	3072	18985	5797	3015	1134	1158	10521	5221	2166	118564	3444	3226	184477	13509	3638	14459	4398	9383	728	8249	8452	6845	6421	6278	4640	2428	4264	0	6204	5905	0	4369	6739	Lipid	0.16666667	1.75	0.083333336
8	C12 H21 O2 N1	212.1645	212.16478	-0.11961994	212.16447	23976	26079	20047	24485	28014	8438	11130	31761	27253	28404	12804	8711	28954	19418	7133	37384	20975	13076	19436	29322	33264	35890	6668	29863	10826	11389	14931	8605	13240	15423	18358	17036	21191	15287	39543	15117	23596	8456	31853	27459	23596	6956	2042	397	304	19235	24586	330	25766	21941	20610	24032	16937	457	31961	22547	8270	50009	0	5094	25326	15033	16762	17560	13031	33478	9322	32453	6664	15428	13179	26771	14199	10785	17919	19322	248	9307	18918	8339	7364	4065	1705	21912	6020	0	37614	14229	12724	106838	23962	10283	51015	14214	21622	0	23993	20202	27292	31805	33562	23368	9677	13897	7212	27677	33865	297	17246	25815	Lipid	0.16666667	1.75	0.083333336
4	C12 H21 O2 N1	212.1645	212.16484	-0.11459455	212.16447	116720	129076	113949	117851	72432	46057	71678	114678	44421	171609	64135	69508	56528	35356	44007	159652	148127	61986	82539	184757	188699	186979	64392	156352	71595	16486	82943	61489	98472	104674	179420	104757	175705	96322	248422	93118	158564	66445	153835	117101	68649	32112	1628	289	308	104205	83173	547	121972	106571	122195	96388	57031	344	47542	18878	18405	206226	9134	5252	156190	54432	48526	35850	17579	63559	40083	193975	16576	38241	31484	106786	100855	119096	90034	109414	254	67612	160731	79957	145031	33683	24744	80238	22514	22512	235010	46335	56733	237196	306174	125612	210892	101990	175317	759	108523	115854	40727	24853	24940	142715	72770	118058	48324	129272	38282	389	122931	67786	Lipid	0.16666667	1.75	0.083333336
6	C12 H21 O2 N1	212.1645	212.1648	-0.14509371	212.16447	55314	61435	53042	60409	31098	22663	31522	118391	18001	82530	38826	74254	22758	26329	31928	135782	33830	23328	37308	87707	97183	78574	21573	49247	33869	10438	37415	30070	113304	123057	169963	53323	56865	49232	105630	40946	57257	34360	48239	54304	42371	16222	849	269	0	39080	38768	0	125145	143513	58221	54186	25471	370	18906	9761	11234	118807	1288	7044	107602	27227	17780	10868	22363	23325	23215	51725	12045	23847	26084	128950	57089	47099	65496	145911	256	68678	34933	31811	20690	12712	8705	42563	10280	21521	50500	23654	28201	141140	131572	38065	122179	46453	79336	354	56530	50671	15394	11821	12889	55859	61221	37650	17579	69347	16508	365	45759	23210	Lipid	0.16666667	1.75	0.083333336
2	C12 H21 O2 N1	212.1645	212.16484	-0.08963632	212.16449	515936	484833	471899	449957	106688	135383	297886	2440834	71650	265186	197736	1128505	91813	75585	141925	1681452	189903	157224	220261	365286	330642	252004	78676	285359	175739	51812	394237	99096	763981	1333947	1316117	647087	317750	537175	280958	580665	307090	120653	254831	181825	122698	102466	1260	381	371	125590	127162	845	1560475	2485977	421741	454349	110369	690	92284	28489	54003	1197006	17106	19567	1368315	72044	112377	147971	92540	104130	122661	275519	45533	146052	94106	2024858	681524	632633	598386	790061	336	986506	137499	108284	86633	45962	43542	129324	62756	47796	167388	88819	231736	323482	409981	277229	390029	144341	268767	2806	453049	497599	62262	35906	42823	281871	1061378	233269	66982	285618	59515	369	166762	132983	Lipid	0.16666667	1.75	0.083333336
12	C12 H21 O2 N1	212.1645	212.16475	-0.16208647	212.16447	12026	14618	11113	10968	33001	3654	7906	3333	10366	27167	10142	3993	5851	105868	1572	12211	8591	8088	10876	31644	45897	7976	1549	3606	2294	22031	6905	10160	9588	4991	4800	8085	8528	4882	32300	5160	9913	2796	15798	24497	47927	9796	13525	854	2233	17633	48887	3526	9023	3957	9487	12303	13051	3829	9013	6682	3742	8526	0	10341	0	9315	14338	4132	4516	11675	6846	11622	0	22417	34854	8782	5496	6860	10735	6926	610	2888	4103	0	2970	24650	10581	47001	8205	9798	6307	7910	5490	15938	14492	6578	6990	5648	14929	1277	10164	10566	9002	7571	13812	7830	4152	8655	0	7704	28342	1312	2271	21682	Lipid	0.16666667	1.75	0.083333336
14	C12 H21 O2 N1	212.1645	212.16472	-0.120203316	212.16447	7476	6106	6997	5478	7404	1331	2497	2151	0	5998	5282	1921	4154	63978	2369	4709	4005	1965	0	3815	9634	4801	0	0	1400	7311	6125	0	4899	2750	5935	0	2198	6798	5643	4829	4709	0	6146	5950	7925	1693	3216	828	946	5923	16984	3724	8638	2650	9353	5117	4257	2688	0	3447	1484	5056	0	7948	0	0	1860	0	2055	6455	4752	7011	0	3099	9193	8167	6301	3308	5896	6098	4166	1647	1464	0	0	6358	4024	19020	0	0	15679	3294	2498	13640	15837	7361	4403	0	9012	1317	5426	2341	2633	1883	2911	4097	1416	5692	0	3910	0	1412	3513	1443	Lipid	0.16666667	1.75	0.083333336
10	C11 H21 O1 N3	212.17574	212.17598	-0.1264444	212.1757	397472	384805	392710	350335	0	2186	605444	833754	2281	94832	136332	326697	0	0	684729	366469	1141120	0	0	72591	57539	0	163411	442945	491522	15633	1957891	339062	343872	297815	740674	1165636	3435575	1362789	47063	658281	3353268	727946	957449	2636	0	13144	508	1324	0	60320	8693	0	311973	438777	380292	358065	0	964	0	0	20265	571781	0	0	385367	2845	0	7390	59644	2764	28581	1402181	71882	44573	40492	382194	676821	560893	382513	811471	0	355781	1587	0	68766	961	2145	4873	1054	171798	1904	65685	75553	7016	0	0	4265	0	0	464	353206	382191	2028	0	0	3631186	325939	8776	0	124957	0	0	440491	0	Unclassified	0.09090909	1.9090909	0.27272728
6	C11 H21 O1 N3	212.17574	212.17603	-0.12178992	212.17572	3723	5094	3885	3659	0	765	3723	2915	764	0	1310	2032	0	1609	1108	4296	4526	823	3837	791	1342	3687	1137	2911	2823	442	9981	0	4048	5111	15437	7320	10164	6301	3144	6868	9656	2222	7488	0	0	1877	0	0	0	0	1334	0	7458	2950	3556	3943	1627	0	0	0	2758	5115	0	0	3639	0	0	0	1511	2180	7554	12840	0	0	0	3296	13056	8439	8696	21657	0	1651	2611	0	2480	0	0	0	0	2857	3560	4051	3634	8611	0	0	2998	726	1244	0	3475	2462	0	0	0	13948	2708	1799	0	2129	427	0	2905	1187	Unclassified	0.09090909	1.9090909	0.27272728
8	C11 H21 O1 N3	212.17574	212.17601	-0.14017054	212.1757	43647	52808	56108	47806	0	4187	222285	117047	0	8179	10859	105667	0	0	108631	56075	160671	0	0	13561	7894	1244	23584	227043	118346	6043	232909	32945	75160	37236	90614	287389	646402	359799	6140	199341	654569	77471	147262	0	0	13030	0	0	0	34091	1675	0	72863	50868	53779	54987	0	764	0	0	8669	40568	0	0	49082	0	0	955	55016	978	8958	147204	6308	7804	6789	51946	118191	93367	74828	72290	0	70886	1565	0	10727	0	644	1040	0	14962	1067	7400	7134	6366	0	0	6130	0	0	0	53858	56045	0	0	0	772480	83358	1940	0	27281	0	0	60093	0	Unclassified	0.09090909	1.9090909	0.27272728
4	C11 H21 O1 N3	212.17574	212.17606	-0.19686818	212.17569	4617	5299	6320	4226	956	1795	6797	8857	964	2618	1579	5648	794	930	4652	10532	14925	2431	3267	2635	3096	2947	4545	7756	6995	1008	10612	0	7427	10915	24374	6772	9960	5927	3365	10540	8240	6434	13870	2594	2217	4229	0	0	0	2452	2115	0	11467	4784	4876	4305	2071	0	1105	257	2323	6931	0	0	9006	1489	616	773	2763	1832	5832	15775	983	1678	1810	4207	23103	13032	13066	21259	0	6990	6426	0	6347	323	423	2336	958	2643	7256	3947	7163	11540	3544	587	13877	1890	2575	0	4088	5773	669	0	497	10962	4177	3122	0	9058	818	0	7055	4098	Unclassified	0.09090909	1.9090909	0.27272728
8	C13 H25 O1 N1	212.2009	212.20116	-0.11589123	212.20087	1941	1367	3812	2103	2048	0	1400	1547	0	4535	1962	870	802	1042	0	2957	0	1607	2281	2574	4810	3157	925	1680	1741	3065	3119	3208	4215	12155	2438	2319	3109	1680	6103	1393	4073	620	1415	2965	0	1289	0	0	0	3845	3788	0	2657	1050	1394	2059	0	0	0	0	0	3272	0	0	0	1444	1643	0	0	2134	1946	1349	0	5472	5995	2070	18129	16170	1584	20070	0	0	4386	0	1916	0	0	4311	0	0	4246	0	2809	5759	28603	0	10958	5143	5811	0	2499	2410	0	650	0	3335	971	0	0	2380	0	0	1757	0	Lipid	0.07692308	1.9230769	0.07692308
20	C13 H25 O1 N1	212.2009	212.20108	-0.015776513	212.20088	0	0	0	0	0	0	2226	1811	0	0	0	0	0	0	0	2898	1982	0	0	0	0	0	0	0	0	0	0	0	2160	0	0	3868	3050	2012	0	1513	0	0	2026	6897	0	4821	2932	771	658	0	0	0	2599	0	0	0	0	8378	0	0	0	1951	0	0	0	0	1671	0	0	0	0	4169	0	0	0	0	0	0	8350	0	496	0	0	0	0	0	1079	0	0	0	0	2482	1299	1554	0	0	0	0	0	2698	0	0	64884	0	0	3348	1581	0	0	1745	0	0	0	0	Lipid	0.07692308	1.9230769	0.07692308
2	C13 H25 O1 N1	212.2009	212.20123	-0.15162864	212.20085	7462	8214	7665	5471	1113	0	2881	5850	300	5624	2981	3093	1828	2705	4903	14578	3920	2352	3334	6507	5156	15099	4657	13857	44136	4888	2535	2104	4415	2777	4379	3022	3150	2825	4443	3565	3201	3620	3502	8972	4001	0	0	0	0	10050	12631	0	6911	3995	6017	5397	1748	0	417	462	1432	12495	285	0	10946	5316	1115	433	0	2999	5089	3644	2831	5403	4820	2444	2035	1934	3262	2261	0	4856	21684	14604	5614	5203	2302	9606	1068	1781	20301	1654	3030	24623	55862	29691	68708	12067	36136	0	8402	9776	0	433	997	3307	3059	12324	9705	18101	386	0	40866	601	Lipid	0.07692308	1.9230769	0.07692308
22	C13 H25 O1 N1	212.2009	212.20113	-0.120402426	212.20087	4423	4951	4320	4174	56247	29457	2769	1908	8841	0	2035	1287	1755	37075	2346	0	7856	9211	8503	0	0	1405	0	0	1848	0	3153	5348	2078	3176	1169	0	7160	1462	0	1310	3750	2988	8987	0	13260	120016	0	0	800	0	18964	0	4900	0	3565	5211	41944	1533	6521	4474	49852	10417	1151	7956	0	1888	0	13922	42659	20416	88567	20811	0	0	2194	0	1263	1399	1687	2169	833	1225	0	1589	0	0	1430	0	7541	16380	0	7141	9800	6071	4042	5881	6289	0	0	0	4567	5801	7458	0	3471	3628	1065	4467	2028	32858	26500	0	1205	0	Lipid	0.07692308	1.9230769	0.07692308
4	C13 H25 O1 N1	212.2009	212.20123	-0.096596755	212.20087	11095	12353	9419	11462	3948	3259	7148	7794	977	13169	4575	3731	4918	2641	3959	10737	4962	3209	9153	9289	8267	47165	3883	8416	7747	6716	7243	5141	6238	3597	4964	10692	7750	7296	18576	8655	8158	3686	6359	13661	10369	2794	0	0	0	9190	21566	0	12195	5170	12276	11481	4825	0	2831	1483	1788	13263	0	0	9951	4994	3500	2536	2010	6343	4852	8850	3369	6216	8912	4165	4050	5172	12413	5040	0	4085	14941	8118	8157	3578	745	12078	2127	3417	22439	3064	5195	56977	43915	8513	35722	24435	31208	0	10131	9953	2416	1144	2274	5724	3978	6905	0	9598	2308	0	13581	1860	Lipid	0.07692308	1.9230769	0.07692308
6	C13 H25 O1 N1	212.2009	212.2012	-0.06954105	212.20088	6358	8110	5195	7197	3978	3736	7045	4850	2680	6377	2494	2568	3243	2316	1644	5849	2316	3877	9614	6095	5375	5523	1838	3840	5952	8452	7167	2501	9179	83742	7661	7866	5919	4599	8426	12830	4966	1658	3429	5607	1354	5070	0	0	0	4194	3957	0	7909	8628	7246	6905	9191	0	1705	782	4991	6712	0	0	4077	2399	2502	915	4599	4933	15148	4345	5110	10662	14725	13452	102868	90612	11572	96997	0	3164	6077	3309	2563	0	402	3755	2330	2963	7326	3135	3624	13205	16054	0	12487	3944	7193	0	9153	6668	2183	1131	1645	4425	2267	2436	0	9645	2766	0	5321	3888	Lipid	0.07692308	1.9230769	0.07692308
8	C10 H5 O4 Na1	213.01582	213.0161	0.04135618	213.01584	0	0	0	0	0	17039	0	2522	0	0	0	0	0	1731	0	2838	0	961	1111	0	0	0	0	0	1480	0	0	0	9616	5730	2956	1832	1642	2491	0	1483	0	0	0	0	0	8911	0	0	0	0	0	0	6292	0	1012	0	555	0	0	0	0	2156	0	0	0	0	0	0	0	971	1155	0	0	0	0	5426	20583	1593	0	935	0	2017	0	0	0	0	0	0	0	0	0	1496	2332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.4	0.5	0.0
16	C9 H8 O4 S1	213.0216	213.02182	-0.056881577	213.02159	4400	4325	2922	5095	6248	13895	3192	5152	6328	0	1515	3273	8361	7202	2002	9938	3485	29201	20927	0	0	3014	3277	3661	4702	0	1399	0	4657	4302	2348	4363	11594	6127	0	4389	5646	2820	3150	0	0	7863	513	355	590	0	0	360	4901	2864	2791	4139	11551	477	3070	0	4230	9172	0	0	7158	0	5050	5813	2331	12212	16048	4185	0	0	0	3197	3549	2430	0	1965	0	1605	2342	0	0	0	0	0	3922	3838	5961	14560	15459	0	5821	6169	0	0	2982	816	3544	2497	2421	2444	2912	6769	1720	0	0	0	3162	0	5025	12915	Organosulfur	0.44444445	0.8888889	0.0
12	C9 H8 O4 S1	213.0216	213.02187	-0.07918741	213.02159	3217	5827	4270	6555	13828	12138	2773	3088	7771	2142	2516	1939	15598	8159	3066	9404	2092	26068	10822	0	0	0	4412	4916	2613	1017	4976	0	6683	3790	2725	5460	4862	6086	1957	4605	6189	1719	2268	0	0	8321	326	0	534	0	0	369	6244	1352	4804	5886	8684	415	5822	2851	4049	11360	0	0	0	0	6572	4947	3466	11040	4865	4608	0	0	0	2140	4269	3920	3641	5859	220	1606	2138	0	2201	1185	0	0	5562	3183	7163	8141	10735	0	11361	8027	2977	0	2332	638	5599	2927	5886	3481	4212	4324	1390	0	0	5698	5720	0	3391	13134	Organosulfur	0.44444445	0.8888889	0.0
14	C8 H8 O3 N2 S1	213.03284	213.03302	-0.15887187	213.0328	2979	2084	0	2062	0	0	0	2484	0	0	7101	2453	0	0	0	0	0	0	0	0	0	0	0	3332	0	0	2293	86431	0	1376	1610	0	0	1567	2034	0	2117	1195	2107	0	0	1357	0	0	0	0	0	0	2055	1934	1496	0	0	0	0	0	3872	3991	0	0	0	0	0	0	8220	1468	1551	1574	0	0	0	1722	1809	0	2214	2086	0	0	0	57766	0	0	0	0	0	3469	0	3075	1307	6217	4319	3398	6287	4372	4043	896	3038	2027	0	0	0	0	2236	0	0	3937	0	0	2522	0	Peptide	0.375	1.0	0.25
14	C9 H8 O6	213.03937	213.0396	-0.070987985	213.03935	5995	6917	6613	6689	19435	12728	3410	3556	21118	0	4289	5628	30505	20654	4934	4161	0	20086	16343	2648	1936	0	8857	4445	3843	0	3295	0	4540	7623	7078	0	5705	4468	3633	2694	4781	6348	6193	1659	0	7397	2976	3111	4212	3019	0	4469	3767	2994	5503	7992	9074	3513	13109	16121	10931	7157	0	0	0	1939	31482	12846	10259	23508	6296	4785	0	1840	0	4781	2912	5328	4285	4941	3628	5426	8714	0	9531	2311	3036	2190	15559	8425	11571	8346	11775	4393	0	2452	6094	0	1654	5025	5026	8518	12547	23630	16405	3813	5563	2187	0	5464	11529	3763	5116	25634	Phytochemical	0.6666667	0.8888889	0.0
10	C9 H8 O6	213.03937	213.03963	-0.07484312	213.03935	8673	9131	10841	7831	37356	27357	4661	5232	32107	1471	2329	5796	62509	28171	6661	6880	4339	40828	39697	4127	3273	7203	11835	8155	3955	0	4848	0	5746	4665	6094	4882	8035	5065	6054	3467	8224	6047	5677	1664	2878	11435	3735	3131	5175	3946	0	4158	5106	5181	8177	13494	23598	4690	28133	23089	10675	7492	2220	1673	10132	0	59191	26655	13105	46826	15054	4965	0	0	0	7003	5029	6150	3718	4853	2970	6063	8091	0	8689	3540	1640	0	27078	11452	7983	13938	19131	3446	0	2686	6595	1749	1800	3903	10979	11988	17549	32701	26413	6851	7505	0	0	6009	18970	3453	4953	74050	Phytochemical	0.6666667	0.8888889	0.0
6	C9 H8 O6	213.03937	213.03967	-0.07411783	213.03935	7919	6771	5039	10457	29206	13865	2358	3942	24423	2457	3009	3969	48008	19574	3930	5424	3812	27866	30132	2453	3461	4440	7722	5479	2558	761	2242	0	4412	4863	4582	4492	7637	4442	3251	2997	5533	3683	4621	1263	2854	10857	2323	1325	3139	3120	2488	2519	5569	3408	7983	9214	17496	2526	14852	18986	9396	3950	1557	1691	5200	1791	49407	16597	7443	36532	11897	3456	1811	1504	0	5115	4964	4217	2556	4730	2061	3495	4036	0	5789	2529	1924	994	21975	11176	6135	10256	12792	2194	0	2373	5302	2455	3088	2686	8043	7846	14274	25816	30100	6518	5021	2793	0	5434	16040	1976	2548	52839	Phytochemical	0.6666667	0.8888889	0.0
8	C9 H8 O6	213.03937	213.03964	-0.09642297	213.03934	11854	14808	9943	15173	44172	24851	4262	6107	29791	0	3232	6951	58764	25571	7106	11111	7199	33460	34427	2938	2973	9426	60024	58695	5156	989	3714	0	4173	5000	15228	5940	8825	6755	3297	4612	6646	9469	5461	2934	1991	12772	4385	2376	4742	8966	0	3786	7564	4642	12650	11634	21667	9678	24000	22989	15288	12277	3141	2458	7994	1775	61567	24714	13219	40849	16451	5176	0	2108	0	6283	6774	5672	5330	5224	2297	7706	61263	2957	119693	5899	2101	0	29230	12478	48523	17855	23705	18964	0	0	16348	2743	2430	9059	14088	15544	20105	39873	38092	8154	7968	0	0	54455	20964	2980	7812	64498	Phytochemical	0.6666667	0.8888889	0.0
12	C9 H8 O6	213.03937	213.03961	-0.053466506	213.03935	15123	14571	13888	13495	28565	22442	5898	3948	28041	3447	2749	8053	40285	27499	7199	8132	4938	28663	30122	1611	3395	6061	13641	9532	1764	0	9618	0	5217	13190	15344	9224	6330	5195	1981	4693	6137	7363	3374	2263	0	8506	2509	2550	4127	2907	0	4615	10583	7193	9207	13264	17776	3454	24839	19009	11814	6453	0	0	0	0	49563	22993	12285	40348	13226	5070	0	1943	0	7088	3931	4171	4980	7543	2457	8429	9962	0	16894	2731	833	1489	27207	11304	16463	13848	14896	0	2854	4726	7566	3595	2467	4443	12509	12633	16499	22931	24601	9226	9423	2657	0	9860	17109	3506	3362	59041	Phytochemical	0.6666667	0.8888889	0.0
12	C8 H8 O5 N2	213.0506	213.05084	-0.10588248	213.05058	4672	3950	5452	4859	4071	5480	6428	4209	4694	0	0	7931	4207	2460	7636	7848	14914	6635	9635	0	0	8787	10727	11685	5011	0	8300	0	2504	1953	4369	2612	7963	3695	0	2589	9597	6675	17086	0	0	4146	0	464	283	0	0	401	3263	3778	5108	0	6095	0	2015	925	4084	8479	0	0	0	0	4680	3914	4273	6989	3399	19622	0	0	0	1728	2039	0	9740	2555	227	4157	18229	0	12333	0	0	0	2516	4934	16898	10791	3175	30711	0	0	33693	0	0	0	5193	3677	3124	903	1130	10434	8071	0	0	11405	1570	0	7628	9871	Unclassified	0.625	1.0	0.25
14	C13 H8 O3	213.05463	213.05487	-0.09366374	213.0546	10059	13195	7700	11692	11638	6289	7442	9564	13631	7886	6967	5262	12484	10309	7338	15211	9810	19693	20210	9659	10186	16199	9719	9073	7249	4194	7714	0	7878	9668	7863	9712	13971	6913	15231	9020	9648	7678	12336	7499	7133	10652	0	2362	2648	7382	5778	3131	6853	6922	6647	8473	11549	2341	11640	9013	9563	16431	5620	5403	0	2998	11367	9435	7746	16488	11295	11274	0	6815	4956	5422	8625	6376	7194	9027	2102	6177	12096	0	11106	8758	6657	4820	10769	7905	14499	14291	13076	14455	11580	7854	19079	9226	8675	3932	9069	11467	9182	12018	8091	7632	7778	7648	0	13023	11994	2660	10769	12676	Phytochemical	0.23076923	0.61538464	0.0
16	C13 H8 O3	213.05463	213.05486	-0.08698582	213.0546	24640	29321	26223	22773	21694	24986	47150	31088	18407	11544	7582	30530	18823	40691	19223	58354	123246	36469	37367	12525	10338	19183	23965	26383	29667	4617	44501	12755	49356	45317	41268	54454	71003	27758	14392	61322	77767	21970	104811	7221	5744	30773	2388	2549	3312	9029	5734	3711	64132	40180	27076	21410	26940	2799	11421	12758	16936	52283	7313	5737	50272	2397	15059	15105	14555	23769	24018	0	6224	12457	10037	20046	33916	35058	69651	44893	2655	24277	23007	10189	20709	4197	7461	3129	17421	17764	27450	45914	42681	40218	11863	12250	0	8308	12158	3979	24753	26562	11659	15636	18389	86630	23769	7896	4990	51269	15384	2856	28982	26208	Phytochemical	0.23076923	0.61538464	0.0
0	C8 H13 O3 S1 Na1	213.05559	213.05585	-0.094694085	213.05557	11104	10289	10876	11020	0	0	3875	0	0	0	0	142443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26611	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9300	9748	0	0	0	0	0	0	0	0	0	0	0	109105	0	0	0	0	0	0	0	0	0	0	0	0	0	238753	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11872	9169	0	0	0	0	1437035	0	0	0	0	0	0	0	Organosulfur	0.375	1.625	0.0
18	C10 H12 O3 S1	213.058	213.0582	-0.060183622	213.05798	4610	2912	2386	3101	4677	5317	1479	0	2961	4734	0	0	6534	4697	4619	2398	0	7856	4860	0	0	8757	1198	0	3831	0	2029	4225	0	0	1598	2858	3597	0	0	1742	2211	0	3019	1610	0	2756	427	0	0	2640	1797	0	3517	1320	2231	3084	7335	0	0	3243	2709	4872	4072	0	2880	1583	0	1570	2069	3864	3857	2389	0	0	0	0	1184	0	1669	0	0	1889	3384	8252	1129	3182	0	2154	2263	1771	2481	4894	4777	3338	17966	22615	2886	1664	4352	0	3360	2664	1946	2477	1997	3226	0	4438	1666	2364	2316	0	1569	4585	Organosulfur	0.3	1.2	0.0
16	C10 H12 O3 S1	213.058	213.05821	-0.078268334	213.05797	6977	3661	2974	6753	10541	9539	3862	0	5507	5182	3269	1482	8288	5095	2964	2708	3592	14816	10634	3083	3477	7534	2744	3430	7301	0	2184	9583	3536	0	2526	0	3381	3746	5282	0	4543	3371	4713	3400	1663	5814	593	0	0	3323	5163	0	2958	1387	2553	6872	7583	358	4767	2285	2608	7153	6354	4687	0	1278	3029	2688	3975	3934	5812	2625	0	1800	0	0	1531	0	2611	1830	0	0	0	11650	2545	5568	4338	2627	4162	5442	5305	5114	6508	0	37829	30692	0	10093	9660	703	4001	4994	5088	4209	2188	3136	1436	6828	0	0	6884	0	4309	6237	Organosulfur	0.3	1.2	0.0
12	C12 H8 O2 N2	213.06586	213.0661	-0.034395505	213.06584	18375	18276	19896	22815	8785	22131	26751	26300	4339	3642	0	18209	1530	15763	9731	73131	62779	7193	14379	0	0	10666	14135	73279	17318	0	15158	0	19594	17035	35372	28767	61365	38805	0	18437	57762	15870	85535	1175	0	38708	783	603	734	3173	0	443	35478	24761	20439	25199	17205	833	5719	2200	8904	50712	0	0	48648	0	5769	5338	4976	19178	21499	87094	0	1515	0	24887	12028	5910	25807	12373	205	12179	28372	0	25846	1894	1210	0	2537	4494	38608	58264	36924	168941	9887	4924	75656	2571	2583	801	20656	28787	6826	4338	4654	64733	16756	0	0	92919	2548	859	41654	4880	Unclassified	0.16666667	0.6666667	0.16666667
14	C12 H8 O2 N2	213.06586	213.0661	-0.040287767	213.06584	9174	4473	7181	8909	3469	8766	12442	13719	1981	0	2050	10282	1576	4125	5111	18232	21128	2941	4731	0	0	0	8628	13974	7417	0	5524	0	6148	12268	13553	10399	15018	14484	0	8392	14193	10031	20234	1322	0	11578	0	702	617	0	4021	497	16236	13592	4486	5827	6319	835	0	1474	5465	15123	0	0	20332	0	1817	2002	4814	8891	7730	38252	0	0	0	11121	6987	5081	12173	7221	325	8241	10027	0	13633	0	0	0	1591	0	18659	20967	10728	49365	4280	2729	19966	0	0	980	4305	8643	2261	0	0	18826	7888	0	0	23464	0	936	14183	0	Unclassified	0.16666667	0.6666667	0.16666667
0	C7 H13 O4 N2 Na1	213.08458	213.08493	-0.12376036	213.08455	3452	3562	3159	3436	8792	0	0	7276	8281	0	0	0	20056	5623	3034	2398	0	13026	8890	0	1212	6143	5916	3602	6055	0	0	0	17447	1832	8279	5702	20110	11622	3443	3189	6946	2943	0	1136	0	2722	0	0	0	2558	0	0	7390	1622	2865	2813	5214	0	13412	860	1247	7589	1795	0	1713	0	5729	4140	0	11241	13270	0	0	0	0	8633	8610	0	0	3315	0	1460	1559	0	998	0	0	0	1159	1408	1673	5061	7337	0	14558	7236	7354	0	0	0	4193	2431	1651	971	872	3472	0	0	0	8774	560	0	1307	23304	Peptide	0.5714286	1.8571428	0.2857143
0	C9 H12 O4 N2	213.08699	213.08736	-0.16263394	213.08694	7728	8820	8742	7977	19751	11434	3208	13308	13776	3389	2592	5586	27223	13008	6367	3031	4015	24749	24388	5073	9847	12745	8313	9854	7121	1973	1423	3801	19176	4674	14839	11657	28633	12640	8425	10172	13360	5298	6136	4278	1956	13767	0	1670	2518	6707	1843	1837	11830	6591	10118	7475	20060	1889	13612	7576	4809	20573	3320	2267	5713	1538	29672	15101	5629	22125	22237	4537	2542	3537	1676	9232	14917	4833	0	9705	2663	5821	4671	5255	4473	3040	2303	1799	7056	6129	5151	13174	16723	6060	20359	12087	13989	3662	2316	2900	7669	8287	7090	6596	6341	10469	4831	5974	2233	16174	8221	1866	4604	51747	Peptide	0.44444445	1.3333334	0.22222222
10	C9 H12 O4 N2	213.08699	213.08723	-0.1345165	213.08696	17094	15126	14402	16075	16338	12655	19563	20135	16736	2996	6645	17502	10484	9986	18943	22886	27890	20640	16545	5541	3299	16274	22313	20517	16773	1744	20531	6707	22617	15156	16812	19941	26966	17443	5543	18149	23165	16608	36200	4697	2689	16144	1970	2742	2488	6742	4082	2870	21977	13806	17339	15801	16422	3111	17743	7303	11093	26211	6537	7633	23875	2088	10588	12295	10463	17657	13120	31655	0	3289	3422	18870	17634	13142	22857	18892	1990	14446	17813	7183	15179	7540	7675	1457	10887	11876	19445	18812	17300	32567	15396	15124	48997	4301	4258	3194	16724	13260	7217	8020	9445	23887	17219	7067	0	26374	9327	2576	19351	20466	Peptide	0.44444445	1.3333334	0.22222222
8	C9 H12 O4 N2	213.08699	213.08727	-0.12144018	213.08696	43174	46582	33651	43492	44653	37689	42581	44259	42164	12781	15110	43021	44962	22194	55305	64030	100781	55541	68243	13952	11548	50035	61203	59545	45761	1937	56463	16587	49990	39158	42701	55190	60130	45945	18107	43273	59984	52071	123914	8010	10999	43568	2560	2031	2279	15766	12518	1956	53079	36007	44007	42229	46177	2779	53103	20472	31095	58954	13340	16639	53736	5091	40701	38597	33086	52059	39041	97218	6201	8543	4429	44172	39169	30092	47994	45569	1746	34053	66291	16261	46792	11285	12927	5599	31757	31388	62356	51198	48264	153268	33319	34290	122887	11413	9192	2903	42744	41438	28479	23901	20132	57413	48551	16273	0	61772	37735	1882	65566	66224	Peptide	0.44444445	1.3333334	0.22222222
14	C12 H13 O2 Na1	213.08861	213.08893	0.23277852	213.08865	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20962	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1570	866	0	0	0	0	0	0	0	15428	0	0	0	0	0	0	0	0	0	1799	0	0	0	0	0	0	0	0	0	1133	13047	0	0	0	0	0	0	0	0	0	0	0	0	1288	0	0	0	0	19386	0	0	2476	0	0	0	Phytochemical	0.16666667	1.0833334	0.0
16	C11 H16 O2 S1	213.09438	213.09454	-0.14359593	213.09435	0	2529	1687	0	1586	3292	1636	0	0	1663	2723	0	0	2800	2196	2400	3136	0	2267	2954	2184	4553	0	0	2453	0	2153	2027	0	0	0	0	2044	2723	2048	0	0	0	2193	0	2369	1836	0	0	0	3003	3583	0	0	0	2199	2212	0	0	0	0	0	1850	0	4436	0	1452	0	0	1099	1509	3186	4096	0	0	0	0	0	0	0	0	0	0	1542	9077	0	2640	3701	2268	0	0	2916	3077	3353	0	21554	15518	0	6472	7017	0	2732	2400	1096	0	0	0	1277	1919	0	0	0	0	1486	0	Organosulfur	0.18181819	1.4545455	0.0
18	C11 H16 O2 S1	213.09438	213.09454	-0.16331734	213.09435	1655	3593	2017	1805	2952	2609	1859	0	975	4226	4718	0	1981	1790	1404	3060	3095	0	0	3407	6251	6125	1265	2520	0	0	1153	5313	0	0	0	2695	2081	0	3369	0	2776	0	2001	1763	0	1987	0	0	0	5926	4878	0	3079	0	2955	4134	1943	0	0	0	0	5563	4474	5965	1696	1064	0	0	0	0	2289	3224	0	0	0	1303	0	0	0	0	0	0	1691	8416	0	6868	3791	0	0	0	3359	1913	1340	0	22224	16630	2831	6346	9968	0	2537	3152	0	0	0	3066	0	4183	2851	3029	0	0	1360	0	Organosulfur	0.18181819	1.4545455	0.0
20	C11 H16 O2 S1	213.09438	213.0946	-0.045796756	213.09436	2285	3680	1919	0	2725	0	0	0	0	4676	2424	0	0	0	1541	2672	1581	1719	0	5890	3539	5406	0	2244	2751	0	0	5666	2248	0	0	0	2076	1292	3710	0	0	0	1547	2618	1644	0	0	0	0	5707	5442	0	0	0	2205	2419	1100	0	0	0	0	2487	3539	4979	2092	1348	0	0	0	1600	1896	1517	0	0	0	0	0	0	0	0	0	0	0	8397	0	3211	4928	0	0	0	0	1958	1916	1875	33025	19049	0	9535	5996	0	2243	2239	1213	0	0	1940	0	4400	5022	0	0	0	0	1309	Organosulfur	0.18181819	1.4545455	0.0
20	C13 H12 O1 N2	213.10223	213.10255	-0.11678902	213.10222	0	0	0	0	3571	0	0	0	0	0	0	0	2007	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1561	0	0	0	0	0	0	0	0	0	0	0	1291	0	0	0	0	0	0	0	0	0	0	0	5575	671	0	0	0	0	0	1064	0	0	0	0	1811	15392	33713	1765	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7931	0	0	0	0	0	0	0	0	0	2066	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.07692308	0.9230769	0.15384616
6	C9 H17 O4 Na1	213.10973	213.10985	0.17832758	213.10977	620256	671920	543668	653284	664860	227560	779492	770016	476720	159938	145088	491532	348680	482415	545128	888056	869092	836700	808540	206764	185774	228354	500716	559728	426696	154998	684095	135514	968920	875490	741750	1027380	1095073	838088	205736	974996	961912	498764	1082488	87352	123688	773736	72190	58716	63176	214146	197302	54812	494044	634676	667736	655416	614444	54556	573212	267344	445720	948260	169604	373952	869432	76850	377556	195396	378580	634252	844604	1090212	122086	133334	154174	571872	809696	1028604	756191	790806	42842	406540	399088	111152	352280	391692	782441	470514	343424	299240	592416	479400	663008	788428	194692	449892	606580	118458	149352	61410	625068	658016	455716	467698	606174	1101320	528260	233032	127236	589624	634984	55010	428108	651608	Lipid	0.44444445	1.8888888	0.0
8	C9 H17 O4 Na1	213.10973	213.10997	0.1974066	213.10977	619830	655132	433020	643254	696530	546150	1010220	592466	491913	283450	247656	465042	696588	1609868	548660	770990	1812936	749776	927620	436584	352692	367240	477614	452346	512746	488210	1993074	284898	887342	703338	551830	1842488	1040936	1574064	389640	846960	2214348	491130	2080748	225654	276734	784310	228130	68590	80424	372060	331246	75424	850640	558102	622110	649096	1226276	85762	587517	501240	475805	738476	267948	353904	850622	143840	953950	447476	931050	735077	1200431	1771708	194688	303306	287578	551802	770228	769708	796875	1769924	51716	449060	449392	267284	348928	375031	1248622	2014366	706864	538156	612128	1066860	1555000	1215016	395104	483774	970140	218132	259202	92301	648990	667572	548054	823380	927094	1038573	478366	474364	178308	534376	586386	68146	484048	646472	Lipid	0.44444445	1.8888888	0.0
16	C10 H13 N4 Na1	213.11107	213.11136	0.06397701	213.11108	328745	315015	324114	335677	503387	560968	520295	418279	356363	126928	132342	239783	653381	1307918	446841	421745	362564	637341	593057	213617	132509	159474	310233	226617	462154	76823	444369	218462	580013	491361	710210	546452	637121	512572	150065	576779	619409	326092	365991	96978	70113	451271	207249	65996	85380	138848	93432	85344	617906	397189	340535	348957	447905	156157	398549	277068	275332	543325	153286	115654	458471	53716	586022	305934	396276	641907	760596	319756	53229	111906	61869	448527	541071	626097	361627	518324	54819	262116	213054	250002	173303	134982	417490	308420	331094	316370	335270	347593	465466	226053	279551	240013	267727	89623	100277	117198	325865	361870	279545	339729	476003	565067	246843	183521	82486	332621	335506	89169	297043	520275	Unclassified	0.0	1.3	0.4
14	C10 H13 N4 Na1	213.11107	213.11137	0.13591364	213.1111	567772	559004	543971	595992	734425	774430	852666	718933	498366	203646	206421	397217	845110	1556713	522612	736533	768196	989540	807308	283507	247484	246978	465473	368692	671307	125982	808106	335730	1101170	873816	719290	1134989	1085863	969311	266472	1022675	1058119	450356	808967	126749	111641	707437	127627	53841	58585	208601	136756	65152	1064770	554652	529906	499313	694430	77921	590069	421271	411126	1003997	201126	170746	801879	75442	825500	454445	654530	934622	1142383	718807	60759	142126	85858	772517	959313	1028954	666569	965065	38260	494429	317490	350375	271887	200673	621523	534396	630716	453871	570555	605639	837042	410768	469623	317188	477286	115873	154868	95887	547847	580012	408077	604049	785866	865146	473823	339883	115569	575836	465105	70558	424337	664307	Unclassified	0.0	1.3	0.4
12	C10 H16 O3 N2	213.12337	213.12358	-0.18638887	213.12332	6728	8002	7451	9466	5038	3110	9008	6246	2095	2398	4226	3560	3098	3265	4534	24319	6215	4896	2745	3516	3336	10031	5916	14885	7715	0	6078	8267	5971	4895	5229	9403	6091	7641	3557	4235	5587	4344	9438	2740	0	3350	1177	1096	920	5616	8129	1236	10194	3198	6404	8237	4175	920	2482	1825	3943	22317	0	0	17762	0	1251	2374	2460	3450	3637	9487	0	1384	0	3727	3720	6750	7269	3529	884	3278	9850	0	4959	6968	5853	0	2928	1946	13382	5064	4598	25046	21719	18686	19632	0	6761	1337	5887	5747	5228	2584	4497	6705	8013	6512	0	8537	6098	951	9797	3252	Peptide	0.3	1.6	0.2
14	C10 H16 O3 N2	213.12337	213.12355	-0.13870147	213.12334	2352	3965	2149	0	1969	0	3496	2521	1986	1953	1692	3028	0	0	3458	0	5251	2382	0	0	0	0	2633	0	4307	0	2753	15256	0	2223	1177	0	2737	4267	0	2164	2940	2496	4658	0	0	1274	0	1036	966	0	0	1216	3079	1420	2666	3230	2932	873	1994	1061	1457	5604	0	0	0	0	0	0	1153	0	2223	5298	0	0	0	2013	1521	2209	3470	2231	797	1580	4711	21110	4015	3082	1595	1251	1155	0	8245	2528	2444	10382	11580	9829	7861	0	2398	1509	1428	2537	1613	0	2294	3451	2896	0	0	3820	1058	1130	5065	2153	Peptide	0.3	1.6	0.2
28	C15 H16 O1	213.1274	213.1276	-0.108545445	213.12737	11580	9946	8013	11163	11616	7608	8833	14448	6584	6696	7327	9421	8249	12208	9517	16959	7626	8795	11731	8076	9840	12247	10479	15037	11187	9363	8564	7679	14642	12504	10843	14009	17353	9382	8394	16500	12397	9271	10233	8505	8075	12247	2567	1902	0	8985	6095	2993	12861	14031	10750	11101	10748	0	7793	5840	7165	19792	6748	5512	13750	3916	8637	6581	6482	9874	11115	11667	8346	7316	10951	9863	12188	14823	7742	14930	0	7469	10919	5605	10273	5476	8856	6250	9192	5421	14852	8701	8698	18898	14856	11233	23598	7480	6643	2620	9113	9575	8085	15866	12784	17098	11199	9619	5929	15766	6696	2292	9984	7325	Phytochemical	0.06666667	1.0666667	0.0
14	C12 H20 O3	213.14851	213.14876	-0.14093927	213.14848	26771	24132	24383	27477	14143	22152	129631	20166	10084	10904	15674	13908	12697	314002	14072	17608	37880	14114	12780	12178	13736	9172	7240	5413	16169	56306	135042	25768	23420	22598	18027	27401	21164	23945	9286	24512	19544	17230	38932	6787	8492	17850	41679	6319	4466	10313	6844	5635	25926	14789	26887	30436	11420	11134	11789	28605	20729	24728	6689	14782	23747	7206	54170	6477	130942	21623	66348	37296	0	22433	14977	13263	20501	31801	32701	26357	4424	11422	10089	20094	8966	28757	169615	368691	31669	22378	24388	17706	17535	24668	24078	23928	17014	4211	11527	11584	24205	31479	25308	23062	29768	20274	9711	18077	0	17025	18614	5153	17319	18094	Lipid	0.25	1.6666666	0.0
8	C12 H20 O3	213.14851	213.14876	-0.1924313	213.14848	3989	3079	1992	3044	1538	2073	8560	2201	0	1657	1142	1595	2431	10411	2387	3130	4091	1285	2651	1412	874	1393	790	1306	2612	8264	12377	1864	3467	2612	2169	2381	1735	3055	2010	3149	2943	2197	5368	0	2236	2163	2277	1301	1182	0	1228	1553	2704	3686	2157	2472	1409	1818	1830	5147	3876	2680	1026	2488	0	0	2045	1187	9245	1729	5223	2914	0	2933	0	2699	2421	4991	3348	3624	1289	987	1729	0	996	3357	17708	34038	2408	0	1982	2190	2131	2841	0	0	2456	0	0	1318	2652	2900	3223	2859	4240	2658	1744	0	0	1768	0	1307	2150	1422	Lipid	0.25	1.6666666	0.0
2	C11 H20 O2 N2	213.15976	213.1601	-0.10647556	213.15973	103972	107995	94865	102667	103526	66181	57533	216407	28714	30488	28564	45451	56166	39685	63955	218148	101708	176260	69838	34607	28580	96896	68955	150812	80856	2286	67828	215789	122948	77704	131503	134632	109700	101381	39104	108408	104582	58571	116400	20807	15561	62482	435	0	0	34620	19776	0	153371	73565	88653	101501	232025	319	38880	12361	18869	203462	4669	8681	171308	6415	49005	28993	19555	151216	68090	153675	4717	13964	8374	122876	74642	64735	143578	85513	0	47479	87735	806477	61736	12448	15762	9353	19696	28222	95458	76372	91160	220524	574245	344944	258834	124944	33618	855	104784	108905	20670	10048	13685	103578	46706	52174	9280	143843	21323	0	96417	66245	Peptide	0.18181819	1.8181819	0.18181819
4	C11 H20 O2 N2	213.15976	213.1601	-0.10590685	213.15973	19182	20641	16323	19039	18987	12783	8412	14831	10393	7357	4526	4870	16941	9256	7768	24702	9224	24623	30836	5794	6526	35109	11676	30400	19645	652	9499	25945	13932	7058	11966	17719	22761	14358	15137	13667	20175	7473	13609	6842	4540	9499	0	0	273	10755	5695	0	18172	9736	19080	18873	13891	257	12035	2744	4648	41123	1058	2036	26455	2191	17175	7725	3818	23628	10904	18008	0	4045	1913	10208	10143	7103	18483	11015	0	7877	14658	45483	12223	3432	3093	3352	5585	5779	22303	12443	14887	42058	223731	129706	63388	8978	8336	554	19141	15831	4868	3861	4133	14682	6883	9256	0	25171	4342	0	13129	19993	Peptide	0.18181819	1.8181819	0.18181819
16	C11 H20 O2 N2	213.15976	213.15996	-0.12652014	213.15973	38783	33852	24958	30209	0	0	45021	58894	0	4379	5929	35889	0	0	10336	71206	219443	0	0	6670	5104	0	1797	12211	15551	0	70916	5963	76118	34058	37189	181901	243324	182389	14946	118266	216785	11984	258661	0	0	0	478	0	0	1535	2666	0	157323	39898	30378	39325	0	354	0	0	1617	56915	0	0	51568	0	0	0	2381	0	2252	187046	0	1598	7593	27300	56627	30347	99383	58813	598	20202	0	0	0	1847	0	0	0	3066	0	2238	2217	0	7408	0	0	0	0	572	29497	25672	0	0	1527	269170	20593	0	0	35215	0	0	22273	0	Peptide	0.18181819	1.8181819	0.18181819
6	C11 H20 O2 N2	213.15976	213.16003	-0.15539801	213.15971	14374	15522	13554	11727	6421	7189	4172	7305	4106	2926	7859	3072	4261	3102	5058	11529	9591	7407	11295	2893	3206	12921	5047	11223	4370	1127	5109	36065	8425	6486	9726	10524	11272	8498	2510	6461	12278	3868	10651	2277	3041	3762	0	0	0	5164	2600	0	10756	4997	13545	13623	6127	0	4715	1183	2248	16581	0	999	12333	1784	5904	1539	1298	7187	7150	14208	0	1463	0	4693	9000	5506	7482	7999	0	4086	4108	112352	4544	1632	1702	1618	3394	2480	8522	5323	5445	22549	475528	282620	28058	17371	7350	0	16114	11760	3319	2516	1493	8666	4641	4297	0	15334	7894	0	5550	6974	Peptide	0.18181819	1.8181819	0.18181819
12	C11 H20 O2 N2	213.15976	213.15997	-0.14774387	213.15973	16244	22918	23074	22983	2193	9110	9376	12180	1486	0	0	4441	1853	2105	3457	100395	20920	8059	3735	0	0	38051	9985	81996	13227	0	12344	13498	12134	39466	13286	64035	18037	43747	0	52590	38461	4089	19438	1259	0	5860	296	0	424	6806	3292	0	27798	18829	23994	23491	3814	817	0	1070	1612	136292	0	0	77417	0	0	0	1784	3616	7120	16516	0	2604	1629	0	32714	90440	53865	45638	0	4162	10272	51298	9616	2288	0	0	0	2718	25187	17648	13373	66604	89963	37662	93716	3188	4417	0	24526	24732	1916	874	1108	37569	5009	0	0	25643	5164	0	19898	2433	Peptide	0.18181819	1.8181819	0.18181819
8	C11 H20 O2 N2	213.15976	213.16002	-0.14513727	213.15973	6188	9344	7055	6891	3113	4176	2816	1929	1520	1904	2785	978	4118	1596	2183	5470	5396	2433	2251	0	0	5559	1870	9652	3233	613	4364	32706	2445	1633	4452	2640	5590	1622	0	2132	5833	2146	6383	0	1441	3762	0	0	0	4956	3040	0	2937	2911	6026	8938	3686	0	1558	830	2461	7138	0	901	4028	0	1491	1160	2528	4138	2098	5740	0	1358	0	1841	3263	1843	2408	1209	0	1919	3149	174592	3141	2259	0	1251	1277	0	3633	3292	2943	21587	352732	206832	22554	13152	2555	0	7268	6737	2191	0	0	2460	1761	1633	0	6817	1686	0	4995	3176	Peptide	0.18181819	1.8181819	0.18181819
10	C11 H20 O2 N2	213.15976	213.15997	-0.17934725	213.15971	4230	2841	2645	3861	1920	3048	1459	1624	0	0	1513	0	0	2046	1428	3705	3088	2585	1729	0	1418	2704	2022	1674	3344	0	2081	13601	2383	2476	1894	3133	3527	3636	0	4315	1815	727	3787	0	0	0	0	0	0	3510	3726	0	2633	1582	3672	3886	2596	320	0	846	688	5520	0	0	0	0	0	0	1970	1964	1599	3857	0	0	0	2022	2387	2206	3856	3219	0	990	1200	70350	934	2339	0	0	945	5832	3573	3314	1489	7442	142315	56097	5083	5515	1461	429	3385	4251	0	0	1670	2689	1502	0	0	2475	2473	0	1800	0	Peptide	0.18181819	1.8181819	0.18181819
14	C11 H20 O2 N2	213.15976	213.15996	-0.17227212	213.15971	38889	40102	43146	33800	30872	114701	0	2306	0	0	0	0	15563	149536	2192	3579	5260	39969	54988	0	0	0	0	2961	1825	0	5225	0	2072	2381	1985	6850	3321	7793	0	3103	2485	0	5331	0	0	225164	0	436	421	0	0	442	5763	1939	42123	28503	42230	555	0	17492	395854	5484	0	0	0	0	0	0	941372	28265	284792	5845	0	0	1262	3218	2862	0	4571	4208	447	0	1740	0	1602	1146	0	973	497179	407937	3361	534452	87948	9283	43065	10653	7112	0	3244	603	40133	0	28799	87638	702239	2369	1400	0	0	6981	226725	1359	3288	0	Peptide	0.18181819	1.8181819	0.18181819
26	C16 H20	213.16377	213.16402	-0.073283315	213.16376	34811	40188	30945	34447	28309	15383	29361	40786	22973	16956	35347	26874	14358	17351	145156	52504	98257	20711	29718	32228	29635	38621	22600	38593	48920	28411	37900	40054	37763	46682	28847	45255	37295	29450	24495	48529	36409	152772	107592	25287	29542	40179	0	0	0	16495	19924	0	36655	43349	32451	30616	24510	0	21570	23245	32293	55398	18151	20695	44380	18198	17282	17079	17230	23165	30635	100104	42758	19457	24093	22238	25708	50274	52408	41518	0	30658	52046	66560	26790	22762	28233	24670	24988	25414	83417	21442	23796	113376	64839	48439	51797	53536	37545	0	34428	36770	42892	27721	26319	53040	26402	26997	18998	30010	22848	0	61232	15209	Phytochemical	0.0	1.25	0.0
18	C16 H20	213.16377	213.164	-0.13205965	213.16374	13464	15430	13618	10938	10569	6668	16633	15406	3644	5801	6321	11909	5353	9019	11798	19906	34910	5689	10009	9444	9746	13306	9767	15715	9136	11015	21513	7377	14157	19473	14723	11941	16394	11856	0	17464	13586	14990	28122	7136	13065	8316	417	0	305	8798	9171	360	15177	15276	15875	13843	9688	368	8720	6429	8381	26919	8558	16241	16755	3430	8690	7471	8436	7352	10826	38466	7515	6855	17434	12274	12959	20693	33969	18365	269	6572	20991	15221	14939	8756	16818	10211	12825	9717	16786	9567	9069	47148	15280	16757	19435	5692	7642	0	11804	12223	10390	10476	13315	16587	14383	14118	2070	14124	7863	0	19674	6241	Phytochemical	0.0	1.25	0.0
28	C16 H20	213.16377	213.164	-0.13376889	213.16374	6009	8740	6986	7265	5581	3256	9550	10022	4723	2858	5898	6103	2847	5502	6489	12245	14467	5624	7366	4508	5833	9585	6998	8342	9392	6157	9589	9208	9238	11870	8954	10595	10722	6643	7222	12839	7665	8919	13809	4389	4353	7635	0	0	0	4346	2799	0	9693	9986	8184	6414	5484	0	4120	3955	4539	14685	4112	4193	14297	3693	3490	4107	3751	5333	7975	15619	6836	4048	4666	4852	6533	11899	9925	11102	0	5516	11466	37825	5667	3501	4587	5197	8946	6174	25690	3391	5859	27252	11242	9966	13286	76870	6624	0	7351	7783	6997	8339	9951	12794	7511	7145	4207	10455	5601	0	10553	2788	Phytochemical	0.0	1.25	0.0
20	C16 H20	213.16377	213.164	-0.1376691	213.16374	30629	31334	25035	27451	16255	12439	29924	36517	12926	13915	14799	26147	11394	21295	25579	44479	62622	9083	20968	20242	22774	18939	21826	27068	28285	22039	40512	11477	23709	32317	19764	31735	31933	25678	18266	28556	29371	26237	53280	15107	24657	18997	730	0	363	13330	26985	0	27795	26387	25938	29255	17103	594	17727	18106	16538	41543	12389	27889	25239	10313	16780	14532	16347	18647	23078	52985	20752	16626	32780	21093	26188	33723	57821	33315	348	17974	34204	26934	25296	15451	25914	22909	22903	14691	46934	15261	22708	79553	34563	26191	46130	12869	18207	0	26787	26035	22301	23868	22737	35004	24131	22939	14241	30688	20665	0	33665	9955	Phytochemical	0.0	1.25	0.0
2	C10 H20 O1 N4	213.17099	213.17123	-0.40171328	213.1709	3077	2667	3035	2089	0	0	1790	3662	0	0	0	5770	0	0	2071	0	1218	0	0	826	421	1159	389	2017	1074	0	3439	0	5687	8982	4092	7960	1512	5990	0	12302	2551	1236	1823	0	0	0	0	0	0	634	0	0	3201	4965	3184	2476	0	0	0	0	0	77032	0	0	5663	0	0	0	0	0	568	1299	0	1776	0	0	14897	26290	4168	9260	0	7219	1063	0	2872	0	0	0	0	0	867	10705	742	6694	0	0	3125	0	0	0	3024	3450	0	0	0	2079	5947	442	0	1099	0	0	1595	0	Unclassified	0.1	2.0	0.4
4	C10 H20 O1 N4	213.17099	213.1712	-0.16884154	213.17094	914	1215	766	1581	0	0	6163	0	0	0	0	0	0	0	1084	0	16758	0	0	0	0	0	0	0	2274	0	13807	0	0	0	0	891	0	0	0	0	0	3933	24184	0	0	0	0	0	0	0	0	0	0	0	1157	1146	0	0	0	0	1714	309	0	0	0	0	0	0	5952	0	0	16748	0	0	0	0	585	280	3222	496	0	0	5577	0	5477	0	0	0	0	803	13468	0	0	2201	0	0	0	0	0	0	688	674	0	0	0	0	0	0	0	0	0	0	10017	0	Unclassified	0.1	2.0	0.4
26	C13 H24 O2	213.1849	213.18513	-0.110116385	213.18488	31241	33601	32339	28785	16756	27048	93594	29052	17290	20143	57300	27349	10769	55600	33284	19495	21813	12885	12015	22892	17654	14450	27027	17938	19241	29161	81217	186777	28168	24557	20251	21638	23046	21590	15841	24589	16958	32266	25184	22394	26445	41632	50504	53492	54219	25235	32959	42416	21244	28223	32893	30614	22469	54168	18159	23400	28953	20364	78912	38491	20628	58102	19915	17970	62614	17608	28464	24679	31895	17100	26213	23672	23508	25578	22275	23439	58503	28754	17678	255371	20542	36159	38771	44965	16517	28833	20540	23912	23571	17520	302860	174443	15094	39462	22413	53910	33966	41550	25540	15044	18609	21967	28942	30174	323456	22401	17074	55005	22911	13297	Lipid	0.15384616	1.8461539	0.0
4	C12 H24 O1 N2	213.19614	213.19646	-0.07481635	213.19612	25614	23325	23540	21012	145794	0	1580	1650	1063	0	0	1101	35032	29945	0	7401	5086	1625	2693	0	836	4944	10786	2728	1941	525	912	0	2225	1371	1338	1968	1243	1852	1167	2179	1841	5332	4048	955	678	5204	0	0	0	1617	1382	0	3415	1018	23276	22791	41461	0	0	4599	3482	10542	0	0	5639	0	326	0	1022	35328	6921	4394	0	0	0	1575	2474	1468	1981	1827	0	1276	26680	0	1257	0	0	671	0	1059	98638	2346	1423	73551	1474772	313834	12959	3098	5450	0	21304	24157	11585	4522	4081	1089	1556	0	0	4437	37852	0	12204	874	Unclassified	0.083333336	2.0	0.16666667
2	C12 H24 O1 N2	213.19614	213.19649	-0.09618008	213.19612	5373	5938	6065	6534	105771	38516	6747	2517	1232	656	0	2973	7467	152512	4526	5229	11397	5575	6037	753	483	493	1986	2187	10680	919	2279	0	5755	1566	1781	4868	2128	3133	1018	10417	2379	1940	10553	1064	450	27597	1052	0	0	1164	1592	0	4567	1981	6290	5752	62107	0	921	32335	31812	2940	0	0	2645	402	434	541	9928	10688	26723	16146	1168	1332	2446	869	2782	2021	8377	1715	0	1522	3441	13593	1141	0	480	662	1529	7322	6286	8962	7299	6182	71265	10800	3171	0	1077	0	5866	7634	41771	1957	5445	2068	1910	1705	741	2581	124330	0	2469	818	Unclassified	0.083333336	2.0	0.16666667
6	C12 H24 O1 N2	213.19614	213.1963	-0.032994814	213.19614	0	987	555	884	0	0	0	0	0	0	0	0	0	706	0	847	0	0	0	0	0	0	639	0	759	0	0	0	0	0	0	0	0	0	0	0	0	0	848	1218	0	0	0	0	0	0	0	0	0	0	1475	0	0	0	0	0	0	1394	0	0	917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1149	5248	0	0	0	0	0	0	6924	0	0	7283	91868	1850	0	1100	1239	0	0	804	0	0	0	0	0	0	0	0	0	0	711	0	Unclassified	0.083333336	2.0	0.16666667
12	C9 H11 O3 N1 S1	214.05324	214.05348	-0.105019666	214.05322	4058	7268	7677	10086	7087	6232	8179	4150	3119	0	4687	4067	3885	2991	4142	15420	8971	8150	8661	1447	0	0	3039	6650	5668	0	11751	0	5241	6871	4859	9195	8278	8792	1654	6248	16063	4044	11767	0	0	6885	372	0	302	1341	0	0	8204	3432	6088	6432	5082	0	2602	2117	3339	16810	0	0	0	0	1897	3389	1844	4297	3369	10550	0	1124	0	5141	6379	4234	17094	7385	0	2992	4246	0	3122	2473	1497	0	2942	2615	6729	8162	7423	6433	24352	12042	9903	0	4612	0	6936	6376	3495	2912	3674	13005	3505	2947	0	9439	5346	0	5181	6036	Organosulfur	0.33333334	1.2222222	0.11111111
8	C9 H11 O5 N1	214.071	214.0713	0.010725697	214.071	44201	51742	36537	46629	71261	63624	30490	46234	84631	14048	17388	37715	90300	43910	58233	50304	81658	102147	102165	17865	18492	36555	63598	44948	35001	2130	31038	15493	50859	33953	44958	52272	68659	52693	24084	45906	65600	48914	81483	10953	10291	61352	4327	0	0	14626	10455	0	47398	36094	41246	43807	65990	5791	86033	40406	42698	50526	17080	14362	47796	6331	85495	66840	46176	88323	64588	77216	7296	6868	6601	42900	47217	30830	38770	40088	0	38404	40291	18743	30996	15097	12146	4007	50080	41994	49256	70644	77800	65871	26929	36591	87503	10771	9183	0	47365	49344	57357	50859	48590	65735	48979	19958	7504	55477	62601	0	29075	122482	Phytochemical	0.5555556	1.2222222	0.11111111
12	C9 H11 O5 N1	214.071	214.07127	-0.056898803	214.07098	17815	20639	13291	21256	15536	15902	14425	19511	20517	1485	6680	10522	19380	16707	20162	28433	21129	24649	27033	5392	3294	17418	20629	19677	17061	2344	14022	0	22776	18712	17780	21697	28592	21331	9866	20750	26985	17651	26506	6957	0	19496	6609	0	6928	6246	7305	0	19592	16090	15990	18880	19115	4789	20503	12058	13269	24227	6703	0	25286	1958	21115	17026	12795	17256	16847	20483	0	1514	2343	18155	16220	15738	17608	20937	0	11803	17206	0	15435	7636	7606	3032	12046	14162	15574	20768	17436	18108	19034	16181	37161	5761	6909	5589	17565	21429	11667	9457	13261	24868	17891	7323	0	17916	13026	4396	17254	31250	Phytochemical	0.5555556	1.2222222	0.11111111
6	C9 H11 O5 N1	214.071	214.07135	0.07783528	214.07101	61909	66627	54177	62696	95825	63886	35076	53898	106549	13178	24538	52227	106361	55575	48910	72248	132980	148663	123706	17385	21490	44623	66326	55507	30911	4829	36253	14373	59981	49871	54689	69362	92696	74510	29486	54885	87935	46406	152253	8911	11694	79782	4768	0	5773	25352	21970	0	64127	50240	61333	62891	85770	6398	92985	60226	56709	74243	14260	18623	72445	5902	121776	73417	50215	112268	85225	157554	6359	8388	10405	54847	54592	54163	56492	53523	0	34582	39301	16056	36918	16226	13312	4093	75494	62022	59969	105502	106841	109471	43143	37976	82983	13740	12988	0	62088	55996	57683	61044	84744	86096	56817	22205	9192	69543	80198	0	36841	194545	Phytochemical	0.5555556	1.2222222	0.11111111
12	C13 H11 O2 N1	214.08626	214.08661	0.20910124	214.0863	3699	6804	6094	8471	2986	4330	7258	6809	1373	7255	6672	3398	0	0	3703	13918	8008	6739	6906	6802	9459	13909	3894	17383	7266	2897	3174	0	5001	7251	5006	8239	10065	8269	6719	6903	9707	4125	12182	3814	6165	5926	0	0	0	5576	4157	0	8884	6794	6753	8213	2497	0	4594	1830	0	13356	0	0	0	1941	2547	2874	0	4593	4275	9249	0	4618	4440	7832	6409	3723	10188	5396	671	2528	7573	0	2461	1114	2920	3150	2426	1571	7741	3944	4601	26322	10340	9085	16347	5789	8585	0	6506	6012	1638	0	1871	12800	1679	3357	0	14029	1369	0	8272	5621	Phytochemical	0.15384616	0.84615386	0.07692308
2	C13 H11 O2 N1	214.08626	214.08694	0.88285893	214.08644	17681	17791	20488	18016	2534	0	14250	45756	2026	3867	3355	15185	1833	1939	20294	73992	42010	13644	13292	5051	4076	4468	16292	43924	23133	0	16233	0	34580	37646	26080	36864	33080	34002	2117	40040	31339	13557	0	1200	0	18593	0	0	0	3969	0	0	37512	38344	18770	16956	8375	544	7037	299	2829	33595	0	0	63314	0	913	4878	3976	2772	16364	45774	0	997	0	25718	28557	31616	44711	22492	0	17868	23136	4220	14611	0	0	727	1932	4278	0	13603	10288	76003	5994	3275	65825	0	1687	0	20967	24602	1122	357	808	40657	10703	3653	645	45053	2288	0	0	1755	Phytochemical	0.15384616	0.84615386	0.07692308
2	C8 H16 O2 N1 S1 Na1	214.08722	214.08725	-0.61334264	214.08708	17681	17791	20488	18016	2534	0	14250	45756	2026	3867	3355	0	1833	1939	0	0	422	13644	13292	5051	4076	4468	0	43924	23133	0	16233	0	34580	37646	26080	36864	33080	34002	2117	40040	31339	13557	0	1200	0	18593	0	0	0	3969	0	0	37512	38344	18770	16956	8375	544	7037	299	2829	33595	0	0	63314	0	913	4878	3976	2772	16364	0	0	0	0	25718	28557	31616	44711	22492	0	17868	23136	0	14611	0	0	727	1932	4278	0	13603	9776	0	5994	3275	0	0	1687	0	20967	24602	1122	357	808	40657	10703	3653	645	45053	2288	0	0	1755	Organosulfur	0.25	2.0	0.125
24	C5 H12 O3 N5 Na1	214.09106	214.09108	-0.72276086	214.09091	0	0	0	2771	0	0	0	0	0	0	0	4950	0	0	2131	0	0	2000	0	5296	0	0	0	0	0	0	0	2838	0	0	0	0	0	0	0	4633	0	9525	0	9400	8221	0	0	0	0	0	3717	0	5169	0	0	0	0	0	0	0	0	3542	8439	4969	3701	0	0	0	0	2908	2833	0	0	0	0	0	6874	0	0	9656	0	5942	0	0	0	14440	0	6778	0	0	0	0	0	1718	0	0	0	0	0	0	0	0	0	0	0	0	23465	5147	8039	0	0	0	0	3596	Unclassified	0.6	2.4	1.0
0	C8 H16 O4 N1 Na1	214.10498	214.10532	-0.21879701	214.10493	4495	6197	4189	5079	3896	0	0	7600	934	1811	0	3677	8524	0	0	6649	0	8959	3609	0	1632	6040	2789	9523	0	0	0	0	10225	3556	9550	8052	11887	27496	2049	5887	13977	849	0	1453	0	2945	0	0	0	2063	0	0	9763	3515	4535	3823	2185	0	1241	0	0	7704	621	0	4338	0	0	1923	0	11370	4035	0	0	0	0	26834	18343	5150	0	8004	0	3363	0	914	0	0	0	0	0	0	0	20269	3630	0	3399	3088	9436	0	0	0	4151	2769	441	0	0	7057	3296	2882	0	11883	0	0	0	5139	Lipid	0.5	2.0	0.125
8	C9 H12 N5 Na1	214.10632	214.1064	-0.35315496	214.10625	235812	269481	209986	242318	329162	274884	226765	285421	310330	132147	106319	171267	384261	232704	268799	341281	359544	469165	459508	197005	171451	180091	237192	217618	267938	26993	229226	131423	368478	284459	271562	365965	408858	341828	209249	343840	428696	215361	416199	112846	123694	299041	0	0	0	155680	145750	0	349237	248006	225188	247532	328021	0	411265	171037	179932	341518	127495	126346	316197	67077	283693	265301	157227	340315	269803	331016	34732	66658	46727	275652	289722	282912	248377	309667	0	183267	161921	137407	127291	126680	147720	73385	206976	242660	251077	268145	319959	282928	190800	226396	337958	107731	117793	0	234772	276452	209364	192865	218380	443195	193606	199611	73036	255945	306461	0	184826	393921	Unclassified	0.0	1.3333334	0.5555556
16	C10 H15 O4 N1	214.10739	214.10759	-0.2043497	214.10735	11912	16826	11089	8258	7454	14434	14504	17801	11661	0	4023	10592	8492	17799	21649	22398	14513	14372	12632	2191	2155	10113	13903	19133	25949	0	10978	6696	15297	13921	13172	19103	19986	14542	3722	15971	18987	11263	12754	3411	0	16502	5991	0	0	4759	3507	0	21191	12058	10811	14925	12323	6848	4760	8039	13353	28124	7038	3590	22255	2344	6677	7979	14075	10006	14110	15574	2936	1758	0	15867	14006	12387	13007	14600	0	10873	14694	13525	11961	4991	8984	1934	7457	10316	22864	12509	13039	37843	15413	10315	36263	3326	2817	0	9780	13331	8237	5981	7397	15203	13341	9135	0	16410	7452	0	27169	12384	Lipid	0.4	1.5	0.1
18	C10 H15 O4 N1	214.10739	214.10757	-0.20788579	214.10735	10325	14309	9134	9271	3638	6167	14090	10923	3236	0	2456	9655	7191	17701	27344	11329	11248	7276	9179	2136	0	7423	18763	13244	412418	0	12457	3081	10703	6278	10549	11357	10687	9113	0	9280	12200	15904	10735	2022	0	7747	5841	0	0	6032	2318	0	12873	3826	9911	11234	6153	6968	5235	3244	6618	18040	3841	3216	11193	1434	6441	4404	13475	6501	2779	10156	2116	0	0	7301	8657	6424	6019	5471	0	14243	21996	19257	10083	4430	6130	1729	4944	7039	37191	9095	8711	22516	17566	12854	57203	3590	2462	0	12705	12540	4752	2530	4156	10742	15853	4760	1574	13523	4264	0	121068	7416	Lipid	0.4	1.5	0.1
14	C8 H15 N5 S1	214.11209	214.1122	-0.21957538	214.11205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3212	0	0	0	0	0	0	0	0	0	2378	0	0	0	0	0	0	2387	0	0	0	0	4405	0	0	0	0	0	0	0	0	0	1525	0	0	0	2132	0	0	0	0	0	0	0	0	0	0	0	1489	0	1541	7852	0	0	0	0	0	0	3618	1482	0	0	0	0	0	0	0	0	0	0	0	26045	14992	0	0	0	0	0	0	0	1502	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.875	0.625
18	C12 H16 O1 N1 Na1	214.12024	214.12044	-0.13428125	214.12021	2340	1605	2568	0	0	0	0	0	0	0	0	0	0	2931	0	0	0	0	0	0	0	0	0	0	0	0	0	3350	44649	0	0	51561	0	122208	0	26937	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1903	1276	298	0	0	2595	0	0	1232	0	0	0	1758	2045	0	2022	3227	0	0	0	0	2006	2117	16380	142021	0	0	0	0	0	0	0	0	0	3143	0	0	0	0	0	0	0	0	0	4370	1561	0	0	0	0	0	0	0	0	0	1678	0	0	0	Lipid	0.083333336	1.3333334	0.083333336
20	C12 H23 O2 N1	214.18016	214.18036	-0.19321515	214.18011	4856	2658	7482	7604	1376	1335	29685	0	5851	0	19395	2226	0	1903	4244	1955	15606	0	0	2613	0	0	1649	0	4621	32062	33743	25272	3146	1708	1305	0	0	1438	0	2252	1598	8488	13514	0	8641	16591	4462	4644	11497	5472	97588	8371	0	4380	9386	6368	1549	13143	6580	10724	7276	0	3115	8421	1522	6133	2436	3521	18522	2844	1414	29303	17901	6541	19569	3413	0	1721	12892	2458	13149	2086	11159	13034	4925	94101	73909	89104	14485	58886	8426	2674	1864	20493	2980	1720	2248	3335	2140	5456	4804	13549	9894	9694	37000	2981	2241	3700	42159	1678	31311	6125	6415	1495	Lipid	0.16666667	1.9166666	0.083333336
18	C12 H23 O2 N1	214.18016	214.18036	-0.1754461	214.18011	9094	10035	9770	6003	2124	4530	15484	2622	4666	6213	6993	3195	4189	5805	0	6004	10663	0	4077	2912	4379	1995	0	1485	5001	20850	30802	18701	4835	4176	1976	4145	9080	0	2497	0	4577	10766	15074	2440	9875	27097	7062	1760	4082	5204	36538	4934	11218	10363	6358	7866	2243	9565	3844	3847	6066	2841	2522	15979	2958	3201	5996	0	14127	10938	3357	28892	7627	6038	23540	3063	1645	1466	17877	5385	4142	1839	10793	25050	4465	91824	41308	86272	6587	58118	3749	8878	4769	23147	7249	3885	6047	3602	8045	3624	8816	7092	12560	13923	13723	6057	3012	3807	17290	5125	22623	3317	4267	0	Lipid	0.16666667	1.9166666	0.083333336
8	C11 H23 O1 N3	214.19139	214.1916	-0.19963092	214.19135	2515	3370	4797	2202	0	2806	3218	3417	0	0	0	3157	0	0	2712	4445	3771	7967	28787	0	0	7228	3450	4121	13869	0	3408	0	1633	836	1524	2078	4600	0	0	1374	3592	3078	3880	0	0	1899	0	0	0	0	0	0	1566	1854	2884	1950	1225	0	0	0	1365	5776	0	0	0	0	0	0	0	0	1663	5822	0	0	0	0	0	813	2767	1501	0	2879	14896	0	3904	0	0	0	0	0	21478	1439	1736	50956	0	0	47251	0	0	0	2321	4479	0	0	0	4044	2314	0	0	11350	0	0	11230	0	Unclassified	0.09090909	2.090909	0.27272728
10	C11 H23 O1 N3	214.19139	214.19162	-0.20160547	214.19135	22032	17667	23137	12168	0	20301	18148	928189	0	1393	1190	18044	0	0	352201	224018	387737	0	0	3077	2034	0	128638	205651	435542	1410	142338	19104	46480	49457	112858	16814	30350	99892	0	88283	34519	251445	154248	0	0	99747	0	446	0	2535	0	0	25044	437807	18443	19244	26046	0	0	0	11980	54049	0	0	113691	0	0	0	29321	5023	40980	67262	14496	15846	0	88298	54190	84006	6455	63189	0	19675	1466	0	6549	0	0	0	0	31257	0	91924	18112	26627	13207	0	2066	0	0	0	16567	18333	0	0	0	76862	8895	0	0	78008	0	0	189291	0	Unclassified	0.09090909	2.090909	0.27272728
6	C11 H23 O1 N3	214.19139	214.19156	-0.22388	214.19135	0	936	851	1155	1123	5660	0	1284	0	0	0	0	1300	2312	0	1188	0	3533	3532	0	0	0	0	794	0	0	2867	0	691	0	0	925	0	690	0	0	1421	0	0	0	0	3331	0	0	0	0	0	0	1784	817	863	705	1654	0	0	0	0	0	0	0	0	0	0	0	0	17666	27145	0	0	0	0	663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1294	3763	1078	0	0	0	0	0	0	733	0	0	0	0	1476	0	0	0	0	0	0	470	0	Unclassified	0.09090909	2.090909	0.27272728
12	C11 H23 O1 N3	214.19139	214.19157	-0.16692896	214.19136	68879	80047	72126	71378	1055	0	10391	4836	0	2110	1885	1005	0	0	1286	95111	11096	0	0	0	0	0	84209	0	0	0	19544	0	0	36384	18053	57971	89724	30440	0	2993	86936	84732	146481	1495	0	30029	0	0	0	17444	0	0	65464	2170	67424	59573	27194	0	0	0	29727	253245	0	0	325105	0	0	0	2369	5963	6597	186974	0	8138	2892	60515	15660	1640	10044	61448	0	0	0	0	36790	0	0	0	0	0	2229	101053	26871	4232	191103	0	0	0	0	0	68455	63480	1331	0	0	58323	3428	0	0	47815	0	0	168644	0	Unclassified	0.09090909	2.090909	0.27272728
24	C13 H27 O1 N1	214.21654	214.21657	-0.1974062	214.21649	2346	1362	2470	2471	0	0	1859	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2169	0	0	0	0	0	0	0	0	0	0	0	0	1723	0	0	0	0	0	1058	0	0	0	2115	1949	0	0	0	0	851	442511	0	1437	0	963	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1342	0	0	0	1180	0	0	0	0	1241	0	1471	0	0	0	0	0	1898	1350	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.07692308	2.0769231	0.07692308
16	C13 H27 O1 N1	214.21654	214.21698	-0.036556616	214.21654	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4271	12796	0	0	0	0	0	1775	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	244	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38949	21661	0	30044	391	0	0	0	0	0	0	1683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.07692308	2.0769231	0.07692308
8	C13 H27 O1 N1	214.21654	214.21683	-0.17761223	214.2165	0	0	0	0	0	0	0	3430	0	0	0	0	0	0	0	1310	0	0	0	0	0	0	0	0	643	753	0	0	3181	4087	4378	2374	0	1051	0	1665	954	0	0	0	0	0	0	0	0	0	0	0	0	982	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1573	23432	17519	0	22165	0	0	0	0	0	0	0	0	0	0	0	0	692	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.07692308	2.0769231	0.07692308
26	C13 H27 O1 N1	214.21654	214.21675	0.057874653	214.21655	4634	5846	6230	5817	0	0	12193	0	0	12781	40986	10345	0	0	8457	0	10009	0	0	22287	14112	8353	5560	0	0	21552	10258	37774	0	0	0	0	7256	0	11498	0	11990	17718	14959	15575	29283	0	0	0	0	23660	32140	0	0	0	5078	6046	0	0	0	0	0	2168	5842	45976	0	11229	0	0	0	0	0	9657	29300	16154	25186	0	4292	0	0	8291	0	16571	1879	36501	2426	15556	5067	12579	0	0	2284	0	0	1344	9025	11870	0	12048	9138	0	3884	7734	0	0	0	8626	9021	71601	13881	0	0	0	2489	0	Lipid	0.07692308	2.0769231	0.07692308
16	C8 H6 O5 S1	215.00087	215.00105	-0.095757335	215.00085	0	0	1778	0	0	0	0	0	0	0	1567	0	0	1291	0	0	0	0	0	0	0	0	2809	3581	0	0	0	5020	0	0	2390	0	0	1817	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5944	0	0	0	0	0	0	0	1805	0	0	0	0	0	0	1683	0	0	0	0	0	1952	20089	0	0	0	0	0	0	4881	0	0	0	8201	1987	0	1385	0	0	0	1855	1055	0	0	0	0	0	0	0	0	0	1147	0	Organosulfur	0.625	0.75	0.0
22	C10 H7 O2 S1 Na1	215.01372	215.014	0.24794787	215.01378	0	0	0	0	0	0	0	0	0	4313	4420	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13373	0	0	0	0	0	0	2213	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1567	0	25295	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8317	0	0	0	0	0	Organosulfur	0.2	0.7	0.0
16	C12 H6 O4	215.03389	215.03409	-0.17261162	215.03384	4874	4716	3310	5054	8438	10938	1998	3869	7038	6824	1926	4441	10275	6549	4091	3998	6435	18216	20063	0	2576	4515	5927	6237	4303	0	2998	2683	1699	4285	2718	4536	4610	5325	4360	3657	7842	5439	5256	1822	0	7566	1267	802	1714	0	1927	1680	2954	2992	4011	7236	8011	1438	5296	3356	7539	6477	1334	1371	0	1514	7492	5069	4704	11936	6250	5296	0	0	0	2169	3063	2430	3494	5797	885	4388	6749	0	4654	1628	1661	0	8040	5033	4592	12177	9702	0	0	3029	0	4537	0	2390	3281	3647	5468	5160	7359	6379	4141	0	0	0	4149	1193	3155	12007	Phytochemical	0.33333334	0.5	0.0
14	C12 H6 O4	215.03389	215.0341	-0.14653516	215.03386	4690	7215	4250	3985	9639	8950	4145	2307	8999	2262	0	4736	11257	6821	7011	5639	3730	19223	21928	2807	0	9381	6265	4390	4756	0	4353	0	4759	4035	4050	6709	7398	3157	4631	5924	6050	6038	6308	0	0	5151	0	925	1340	1626	0	1387	5176	1841	4721	4858	9381	672	5964	4314	7529	7535	0	0	0	0	12730	9015	5628	17990	13325	2912	0	0	2472	2546	3108	3128	2955	4418	1047	6528	8110	0	5528	2041	1617	883	8494	5330	11492	9448	8132	4232	3660	0	5576	0	1708	2159	6932	5359	6345	8354	5647	7557	4205	0	0	5327	5569	982	3166	13239	Phytochemical	0.33333334	0.5	0.0
16	C8 H10 O3 N2 S1	215.0485	215.04868	-0.17636704	215.04845	4128	4650	3931	2652	0	0	9468	11315	0	0	0	4576	0	0	2196	12253	50306	0	0	0	0	0	1934	4257	4924	0	5892	0	11481	9916	10324	12818	10093	16673	0	14075	10879	1726	49912	0	0	0	0	0	0	0	0	0	16967	12818	3558	1897	0	0	0	0	0	10948	0	0	8798	0	0	0	0	0	0	50244	0	0	0	16225	15787	7001	27284	16184	0	2753	3098	0	1860	0	0	0	0	0	1925	1409	0	0	0	0	0	0	0	0	3635	5629	0	0	0	7318	2792	0	0	17238	0	0	4430	0	Peptide	0.375	1.25	0.25
12	C8 H10 O3 N2 S1	215.0485	215.0487	-0.19184254	215.04845	3805	3381	1768	3761	2181	1329	5130	0	2765	0	0	6076	1655	0	2476	3377	20951	7128	8400	0	0	0	2620	0	1330	0	3961	0	1268	1521	0	1326	5551	2663	0	1335	5845	4209	29384	0	0	2666	0	0	0	0	0	0	3344	0	3829	2912	2315	0	1619	0	3011	2670	0	0	0	0	0	0	3419	5974	2578	22368	0	0	0	1572	2059	0	8040	1859	0	3306	2731	0	3909	0	0	0	3424	4914	3660	13028	4042	16562	0	0	9200	0	0	0	2703	3137	3736	0	0	5599	5293	0	0	4076	5589	0	2323	1558	Peptide	0.375	1.25	0.25
0	C13 H10 O1 S1	215.0525	215.05293	0.23930964	215.05257	29791	25911	25417	20511	6306	0	1449	17026	534	10329	1944	5941	0	0	6251	31336	0	3988	10203	5127	1538	4589	1521	59325	0	0	6365	0	2872	59579	7522	46846	2557	27194	1701	42359	40409	734	0	1596	0	74703	0	0	0	9656	0	0	58144	55755	23805	22746	3368	0	274	0	0	17923	522	451	69844	0	0	0	0	3511	2912	0	0	0	0	32398	47359	60534	7464	36926	0	4902	1367	0	1259	0	0	0	0	0	0	14277	10551	0	3487	1259	7531	0	2153	500	22196	25091	504	0	0	43436	2757	9771	0	14960	0	0	1201	1482	Organosulfur	0.07692308	0.7692308	0.0
12	C9 H10 O6	215.05501	215.05527	-0.16088885	215.05498	12194	18834	19535	20978	32626	29771	8093	16802	46537	4113	6131	14876	51283	27310	15453	16328	14715	53584	44956	3571	5387	7234	25943	9597	8149	1363	6075	0	16201	12962	14089	15610	28912	14704	10207	14133	22081	16119	12337	3022	4164	23439	4362	4533	6344	6238	3831	7018	13828	11614	19388	14876	29397	5768	45854	30088	18860	14192	5579	0	0	2023	62300	38170	18990	48880	28366	11047	0	1662	2995	16955	13086	13739	11220	15420	4264	15566	14727	0	13575	5552	4302	2971	29703	15771	16587	21773	30840	8266	15732	14656	15845	6801	3144	6429	17454	16851	27658	32197	26132	17775	13056	4893	0	21334	26008	4667	7726	64368	Phytochemical	0.6666667	1.1111112	0.0
12	C10 H14 O3 S1	215.07364	215.07387	-0.21173184	215.0736	2764	3707	6295	6996	4577	4190	0	0	1801	2777	0	1330	1699	2093	1395	4516	6382	5271	3230	1750	1854	4664	2192	0	1657	0	4565	0	5027	1762	3583	2778	3595	3815	1467	1468	3748	1978	5929	2063	0	2885	0	0	0	2685	3568	0	3570	1524	5204	4297	3500	0	1133	1602	1910	5436	0	0	0	0	2054	0	1981	3244	4073	7501	0	0	0	1269	3676	1774	5002	3179	0	949	0	0	1150	2980	3121	1057	2971	2455	2569	3592	2887	0	51273	20717	2438	3151	6704	0	2879	3194	2245	0	1631	3528	0	5244	0	2504	3908	0	2955	2983	Organosulfur	0.3	1.4	0.0
12	C12 H10 O2 N2	215.0815	215.0818	0.075020686	215.08153	20901	14394	18687	18340	6909	5027	20576	29516	3943	6526	7355	21852	2225	6955	17764	32318	42205	8948	20121	3608	7644	17210	21073	32922	15130	1921	13282	0	17644	23114	25855	27748	40348	13911	6160	23776	26424	19836	48204	2794	5032	12460	565	467	411	6688	3396	627	36827	25964	17563	18599	11293	630	5811	1346	7633	48724	0	0	0	0	4868	6004	5980	7148	14009	48032	0	3285	2619	14796	13910	16392	23472	25138	287	19891	21903	0	28625	6158	3210	2237	4829	3377	27706	15168	16600	114252	22695	19060	64322	5572	6167	948	20412	10998	4184	2546	2296	21527	18462	0	0	51496	3888	719	24351	6989	Unclassified	0.16666667	0.8333333	0.16666667
2	C12 H10 O2 N2	215.0815	215.0819	0.07334528	215.08151	4725	5410	5051	4726	7723	0	4042	5361	4372	4496	4516	3587	8616	3416	4036	3911	7133	43312	41982	3873	4267	3631	2888	3332	3449	2038	2839	5486	6718	2929	4582	3338	6034	3588	3921	3548	5089	2841	7094	3148	2274	5919	372	300	450	2633	3406	0	3636	2522	5242	4972	7241	232	14667	5106	4720	7482	475	1575	3983	1327	3486	11145	27345	10011	6862	6093	1886	3667	2670	3973	3914	2950	4400	3909	311	2385	4983	3600	3253	1650	1334	2175	11726	14117	4613	16412	7734	8513	6785	4338	10049	2955	2755	548	4985	6598	3952	6344	8147	4111	3605	2373	2263	5794	4191	0	3944	3139	Unclassified	0.16666667	0.8333333	0.16666667
8	C12 H10 O2 N2	215.0815	215.08182	0.054017246	215.08151	7652	4838	4286	5389	2754	3170	4974	8995	1662	5240	5299	5461	2424	4271	5047	14133	10177	5742	6368	5950	4653	9975	5574	13379	6490	1411	6614	5337	4805	4459	5034	8056	10585	7565	6000	6231	9874	6216	11437	3085	5323	5441	483	331	413	3559	4107	341	7070	6819	6673	5603	5872	423	2769	1491	3149	10007	1631	1855	9065	0	2766	4497	5553	3868	4998	8522	0	2610	1654	4247	5603	5438	7405	6871	344	4929	9582	4672	7452	3332	2978	3473	2598	5832	8012	7115	7610	26422	0	0	19768	3801	9521	664	5496	5503	3460	1785	0	10243	3744	2045	0	10391	1898	382	6933	3273	Unclassified	0.16666667	0.8333333	0.16666667
14	C12 H10 O2 N2	215.0815	215.08176	0.013134428	215.08151	3012	2989	4801	6133	2687	1684	5116	5764	0	2773	4479	2956	1523	1980	3666	8601	5414	3637	3809	0	2738	5587	2479	5709	4083	1411	5445	0	4403	5166	5372	0	4633	4787	2079	3505	3426	1975	8435	1490	4322	2386	0	471	434	1658	0	690	8515	4153	4019	2432	3108	699	0	0	1845	6652	0	0	0	1338	2202	0	1966	2726	3262	9796	0	0	2624	3951	4207	2918	5162	3668	418	3436	5600	0	3433	1170	1618	1200	1182	2470	7065	4510	4164	20111	5770	2522	10502	0	2044	685	3520	7146	0	1369	0	3960	4160	0	0	12790	0	623	4468	0	Unclassified	0.16666667	0.8333333	0.16666667
10	C12 H10 O2 N2	215.0815	215.08179	0.022948723	215.08151	8806	11370	9104	8846	8579	15556	8925	14589	3755	12449	12144	11864	2999	9616	9072	26058	14510	9550	9125	9829	10428	14256	7140	36527	12164	4136	9284	7023	8894	9652	14534	10944	26870	8965	8723	8100	19599	9129	18880	5246	10988	10433	924	624	598	8089	6906	861	10661	11172	11602	12648	8423	1756	4630	2308	5196	27397	2027	4581	22288	2945	5408	5929	3386	4738	7127	20116	0	6908	5081	9497	7984	6294	10023	9911	0	7754	22719	11483	15991	5241	3883	2609	4292	4601	19117	11829	9830	47747	98371	34154	48349	7045	13850	942	9163	9789	4346	4098	4389	16436	7530	5222	0	30941	3830	610	12849	4830	Unclassified	0.16666667	0.8333333	0.16666667
4	C12 H10 O2 N2	215.0815	215.08188	0.008454605	215.08151	5092	6338	4653	4937	6107	3715	4715	7126	3063	7053	8080	4848	4424	4815	4645	8884	7519	10628	13675	8294	7584	7232	5352	8606	5778	3572	4975	9259	5984	5273	5271	5202	6783	6428	5391	5398	6565	4441	11362	3955	4830	6990	0	0	363	5150	6054	0	7195	5752	5860	4871	5028	366	4154	2420	3528	7607	823	2096	8427	2412	4644	4158	16845	4275	4943	9176	2586	4158	4054	4609	4746	5152	5751	4970	275	4193	7975	6874	5977	2267	1208	4145	7350	21822	5754	10263	7311	13189	7726	3969	13551	5929	6151	629	5605	6941	3849	4396	3633	6804	4159	4025	3696	7303	2875	568	4962	2791	Unclassified	0.16666667	0.8333333	0.16666667
28	C15 H11 Na1	215.08311	215.08316	0.55624545	215.08324	0	0	0	0	2010	0	0	0	18631	0	0	0	0	0	0	0	0	0	0	0	0	9021	0	0	0	0	0	0	0	0	0	0	0	0	2322	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2090	0	0	1783	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3129	0	0	0	0	0	0	0	0	0	1584	0	0	0	0	0	0	0	2717	34801	0	0	0	0	0	0	0	0	0	2077	Phytochemical	0.0	0.73333335	0.0
20	C9 H14 O2 N2 S1	215.08487	215.08516	0.0321623	215.08488	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6772	0	0	0	0	0	3599	0	23539	1673	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2080	0	0	0	0	0	0	0	0	0	0	0	6648	0	0	8965	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4975	0	6067	0	0	0	0	0	0	0	0	6049	0	0	16421	0	0	0	0	0	0	0	0	0	0	0	0	12216	0	0	4664	0	Peptide	0.22222222	1.5555556	0.22222222
2	C9 H14 O2 N2 S1	215.08487	215.08525	0.09803689	215.0849	21393	24668	16237	20772	6239	0	4676	50668	3687	2591	1066	11589	9880	4097	28786	35147	6876	39579	43850	2637	3018	60951	89115	26409	13171	0	3303	2549	35098	24088	56599	36299	50005	32026	3234	34158	35163	11242	8233	3237	2615	15261	0	0	0	6693	2273	0	34336	30960	20135	20796	10993	0	5279	1847	4264	32154	1226	2131	52948	961	5146	13613	5694	13474	41328	9514	0	2769	1330	42219	28630	23142	3516	20101	0	16780	9078	0	4489	1293	1622	1050	3066	6451	8457	31115	56283	18017	16974	19550	162603	3199	1905	0	19883	20440	3516	2688	2287	46760	20994	8936	1829	51746	2846	0	4945	10712	Peptide	0.22222222	1.5555556	0.22222222
14	C10 H14 O5	215.0914	215.0917	0.08092186	215.09142	86472	84418	79305	87149	142645	166440	79396	115284	174585	38147	42369	46027	200152	172873	103708	77145	66252	212531	174543	45573	37942	51111	88584	57550	103425	15606	61912	76277	160644	111307	114160	126946	172140	125255	56723	128815	114983	80395	68643	33994	21111	123026	31263	0	0	43256	25089	0	97726	69930	87329	85295	151841	18233	186766	98133	77084	119728	50155	25345	74253	20768	167207	128033	86136	184957	171811	53157	13898	27695	15295	97209	103905	140107	52283	107652	8170	79004	55307	39109	51978	29781	58772	34770	101304	86887	75636	89858	146068	44952	91587	74062	89300	25200	29934	0	85478	103965	85405	137492	143082	119175	67692	53226	27459	85475	98894	0	60461	190779	Lipid	0.5	1.4	0.0
12	C10 H14 O5	215.0914	215.0917	0.08090138	215.09142	125407	145414	135083	135678	257642	215113	134647	138620	286219	46255	66069	79571	295242	308474	136240	128972	126844	380761	340587	76257	61566	55343	137217	67256	113188	21482	146294	101846	222921	149591	162570	198511	233599	181196	74050	176974	208793	124944	138738	36651	32805	207790	25085	5159	0	47983	33987	6634	197953	105359	141054	141664	261261	18624	314990	158472	133339	163461	51568	42958	141926	20090	346947	210395	144541	372981	254241	118589	21222	37127	24880	123282	186146	184678	120999	160073	0	115269	82164	68785	82938	50912	91383	59132	177773	171143	117689	142632	223227	77792	72263	85553	86487	45737	29771	0	137909	155885	178908	208918	244140	210849	109387	57574	25409	120184	211905	5172	83980	353389	Lipid	0.5	1.4	0.0
6	C9 H14 O4 N2	215.10263	215.10292	-0.15578689	215.1026	31865	32843	29883	33035	39360	34699	24490	33867	40835	10885	14209	22335	34169	25392	32314	46849	45037	61425	51196	10155	11513	27258	25523	32388	22966	1104	22174	32092	26015	25265	34257	31931	45364	34428	14001	25879	48965	26600	57979	6198	7393	27779	2129	1075	1334	13929	12557	1205	31802	27397	31348	30971	38642	1632	39906	18465	19881	35447	10902	15842	42996	4968	34080	19119	17957	37297	30394	61068	2719	5005	4363	26806	23632	25987	26144	24522	1130	19447	20137	99209	20899	11497	10464	3422	27466	25144	27616	38937	31929	53484	122133	68559	61776	20645	9422	1375	28043	31901	18609	14757	22815	42344	25802	14223	6741	35331	35944	1098	23229	61099	Peptide	0.44444445	1.5555556	0.22222222
8	C9 H14 O4 N2	215.10263	215.1029	-0.1373041	215.1026	15148	11879	11605	15119	15201	13053	12229	12124	19087	3072	8474	10836	16310	7725	16678	17298	16216	21473	18595	4467	5466	10032	11505	14294	14223	675	12559	19190	13830	11344	12216	15555	18050	15790	6579	13777	17767	14680	22544	2567	5338	12008	3074	1394	1524	6893	4276	1637	13377	9680	15438	15072	15346	1340	20095	7068	11957	16851	5992	7779	14625	2451	13166	13606	11574	16355	10085	17145	0	1123	2638	12336	11550	10393	9926	11870	1193	9691	13042	24066	10391	7807	6476	2328	11168	11531	16402	11698	13981	26120	90437	53330	20556	11128	4347	1667	15924	13451	12870	9824	13025	13011	13887	6429	0	16319	16845	1124	15927	20141	Peptide	0.44444445	1.5555556	0.22222222
10	C9 H14 O4 N2	215.10263	215.10289	-0.108612865	215.10262	8986	11998	8664	10263	8828	11111	5442	13667	10667	0	4466	8157	8580	5555	10864	13610	14902	14796	10791	1266	1510	6767	9676	13056	9405	0	8313	24533	13746	13254	13878	12299	15051	10816	3377	10882	14296	7135	17470	0	1772	10178	1832	1750	1791	3091	1841	2163	11448	9139	12174	11122	9610	1762	8463	3790	4555	18584	2172	2275	13349	1138	4299	4872	6356	7011	7351	16197	0	0	0	11257	9252	11300	9370	11603	1026	7741	7393	38214	7091	3697	2950	944	5828	6875	9002	10420	8981	18528	113739	43709	12203	4938	2204	1922	10480	11055	6605	3819	4812	14699	12245	2325	0	11581	8929	1678	8236	10581	Peptide	0.44444445	1.5555556	0.22222222
12	C9 H14 O4 N2	215.10263	215.10287	-0.014218749	215.10263	4786	5286	4653	5592	3637	3288	3643	7640	4525	0	0	4960	1268	4248	7398	7008	7395	3147	6539	0	0	0	7516	6665	5323	0	4089	12714	4379	7237	7342	9398	7926	7384	0	6614	8629	4743	5379	0	0	5497	3143	1702	1812	1445	0	1970	6714	6230	5196	4600	2377	1721	3775	1758	3929	7033	0	0	0	0	3409	2983	3259	4032	4136	7169	0	1312	0	7390	7185	8373	6046	7974	902	3043	3632	0	5217	2157	1709	0	3107	3580	8306	4609	6650	13874	38650	19456	12307	0	0	1744	6215	6582	1233	2357	1923	8714	5028	0	0	6150	3351	1404	6986	3656	Peptide	0.44444445	1.5555556	0.22222222
24	C14 H14 O2	215.10666	215.10687	-0.038545962	215.10664	82291	94440	73378	81493	97127	64944	50033	97885	72236	72561	55855	59841	96106	78550	85181	110415	76851	94947	121236	87068	84118	75769	87567	92723	75499	75251	48366	63479	89109	97896	87339	104300	118212	84291	98176	106391	123239	70854	84127	71771	59796	70343	26419	13582	18958	66209	56808	16697	99869	85011	78739	78211	85760	14468	82404	63595	57027	118633	57029	46200	105988	43915	82062	70345	45913	101096	82911	80807	64233	68470	81731	83114	71187	86832	67534	102559	15091	73493	78853	51329	73386	48918	57499	57918	80269	51753	91504	72187	84832	104467	96674	92696	141651	48209	70678	19805	78275	83303	71721	85930	82510	112648	70202	85848	52440	94758	62661	17316	63419	85733	Phytochemical	0.14285715	1.0	0.0
14	C14 H14 O2	215.10666	215.10692	-0.09122618	215.10664	238723	268921	194621	230504	210969	147959	213434	241085	199385	201650	177069	158440	190370	127882	193843	274363	291105	234428	236535	276478	284738	258121	187995	221094	174453	241584	224695	168002	217697	223779	201219	255204	286200	192844	264868	226414	251027	189843	292134	229257	248642	170589	19457	12502	12152	170202	189957	17415	245876	198852	232559	225447	195839	11104	226913	167561	168169	327823	178487	218152	246142	128362	211130	186622	128598	208388	180003	271630	199979	273369	289456	178973	202065	199396	225263	255875	10193	162082	250128	146531	229426	176439	213873	201283	237288	140603	276358	165101	213131	373613	264290	195516	319498	152046	205171	17607	231222	210621	171885	270582	252010	233891	185246	218905	116766	218838	179731	12812	207982	170613	Phytochemical	0.14285715	1.0	0.0
20	C14 H14 O2	215.10666	215.10687	-0.07253468	215.10664	245750	280537	242617	222778	309906	234312	204500	281155	215220	237844	170495	186437	281679	227443	272040	333823	265997	306169	360550	279476	279558	264700	193763	274327	219588	170384	200709	195320	303244	245258	218501	266117	332438	262325	270606	236516	354260	211704	249685	221619	187975	236246	28989	20319	17575	173515	171024	23613	286617	213823	244718	267478	262874	18262	209964	211986	183939	351060	178406	180517	298177	118177	264988	202573	143867	310046	289288	268486	129979	189908	191638	233137	235690	238276	262731	273961	16720	184631	245834	196527	190821	131480	185809	143988	218747	186523	309283	238604	262111	338158	315973	252663	343554	169850	202062	25761	240322	250947	238801	249149	253878	336510	211935	275829	131593	256283	208893	20732	221882	259105	Phytochemical	0.14285715	1.0	0.0
18	C14 H14 O2	215.10666	215.10689	-0.07475652	215.10664	292802	313951	267031	261528	298213	220582	235403	333471	211230	282648	212677	185014	287458	198913	269755	355594	305760	335506	382322	366713	290369	308243	241915	306882	211514	200527	237619	220571	291918	290575	275187	296982	378192	302478	297614	282863	371419	232879	320475	263818	231492	241402	25038	13309	15987	193595	183640	20472	339452	251879	273575	295600	255718	15189	276413	199960	192957	413918	174429	192233	315827	153812	278021	218695	153712	309619	295561	336699	180073	248738	246822	247051	228159	259504	286959	313233	17822	184510	277507	218383	246193	193073	205108	191850	254866	208731	306106	255234	286265	366399	343861	317862	395449	183321	272283	22735	289711	268681	224963	272227	293630	363301	210830	269796	114233	238078	181689	16462	243046	263718	Phytochemical	0.14285715	1.0	0.0
22	C14 H14 O2	215.10666	215.10687	-0.05842859	215.10664	159120	183217	142297	156778	202443	161386	129370	225290	147003	153536	120057	118699	142354	162882	204305	217374	157648	222209	180338	182873	162613	170148	150985	200079	168232	104134	119740	123205	227827	184069	183321	198369	231737	191380	158413	214516	250784	159378	159224	127333	110920	146903	40870	23838	23019	122775	104342	29285	206974	164046	169265	162055	173360	25700	142188	125901	122513	229186	113706	99230	212139	79850	160798	133078	98315	202998	199319	155648	84654	133441	128766	175065	149006	164390	118732	211002	18906	134195	172985	107295	139773	105269	111395	90762	142627	134809	186641	158675	174346	200024	198681	169052	245719	103758	141078	31908	137180	176290	151309	161669	150909	250241	143964	172176	98282	190882	126428	23439	148891	170621	Phytochemical	0.14285715	1.0	0.0
16	C14 H14 O2	215.10666	215.1069	-0.07937765	215.10664	262059	305486	253933	266860	261400	190988	236985	290164	227500	259522	186760	189670	259734	172925	235546	333116	331728	301089	360141	324061	312188	274150	239299	300341	218496	238181	224119	177621	254502	241334	254142	307717	354694	213968	314004	269247	332362	215460	350155	253647	249418	213540	19060	13790	14191	196796	194672	17765	323889	234853	269450	288526	253480	12381	237451	201092	194648	387059	184168	206489	279011	155640	261545	209416	141960	286916	240816	299664	186097	285113	282762	246599	250049	264245	283200	312142	11913	173937	286269	206205	222620	201740	224898	210520	266379	177571	326310	233296	257997	399650	282950	281772	348740	183603	247732	19466	267372	263040	208636	266767	299697	328978	183847	242924	109890	264835	211474	13504	250324	265139	Phytochemical	0.14285715	1.0	0.0
12	C14 H14 O2	215.10666	215.10692	-0.12000683	215.10663	174987	212453	180248	202839	140694	87363	157822	182256	138542	139723	136717	107260	111603	80045	128021	245002	216757	157034	188831	196853	191616	198212	138957	180388	127952	180559	184461	105889	174037	165164	158582	197411	209929	141383	198516	159494	185977	150802	243128	158976	178153	117830	13128	12441	12896	143969	146038	17589	213375	157626	208318	185721	137136	9949	162306	122017	114567	236413	123240	163082	207279	93774	162531	121801	80579	144183	117647	221469	157329	198324	236502	129516	145031	157956	203343	200997	8612	116765	193732	104210	178704	135954	162223	129138	149418	106613	193295	115705	140340	298650	178428	170186	215298	114116	167621	17129	187928	189538	128797	161020	174416	188598	141692	164810	90159	162073	131075	11955	147440	142880	Phytochemical	0.14285715	1.0	0.0
24	C11 H18 O2 S1	215.11003	215.11018	-0.033644613	215.11002	3538	2549	2007	3709	0	0	0	7211	0	0	0	2922	0	0	0	9325	2367	0	0	0	0	12935	15056	85135	2007	0	0	0	4511	7750	6742	5971	2268	8432	0	4503	1227	0	0	0	0	0	0	0	0	7953	0	0	5176	4493	1714	2786	0	0	0	0	0	13717	0	0	10033	0	0	0	0	0	0	1757	0	0	0	7652	8962	11113	0	12127	0	3488	5653	1488	17523	2527	0	0	0	0	1713	1309	3140	43510	4465	3225	46363	0	0	0	2209	2630	0	0	0	2594	3151	0	0	13838	0	0	2342	0	Organosulfur	0.18181819	1.6363636	0.0
14	C11 H18 O2 S1	215.11003	215.11018	-0.10493702	215.11	8501	6809	6040	6883	0	0	10207	19456	0	0	0	9249	0	0	4497	18125	12545	0	0	0	0	7817	8273	50417	4506	0	6789	0	10100	14038	27608	20525	15818	32690	0	10281	11346	5846	11869	0	0	0	0	0	0	8315	0	0	31739	10049	6658	8828	1493	0	0	0	1256	54526	0	0	22056	0	0	0	0	0	0	18935	0	0	0	33738	22070	12010	14174	16288	0	7287	8336	0	28352	1145	1178	0	0	0	1553	8388	4120	35466	0	0	33750	0	0	0	5525	6203	0	1074	0	7618	6708	0	0	26987	0	0	7074	0	Organosulfur	0.18181819	1.6363636	0.0
4	C13 H14 O1 N2	215.11789	215.11821	-0.19785434	215.11784	4460	5617	4206	4823	1044	1878	2447	6190	897	12266	15218	3391	276	1184	2563	7202	9068	2835	2577	8793	9434	3998	3627	7196	3361	3798	3632	32979	4600	4460	4717	5495	6891	4729	9341	5277	6015	3446	10106	3981	3526	2481	0	0	0	3713	5607	0	6932	4320	5610	5051	1748	0	1778	297	1148	6296	328	1097	6718	2698	860	847	1078	922	2246	12727	1689	3356	3906	4897	7371	5070	14483	7850	0	3690	3426	10579	4439	922	346	4599	815	927	4059	3334	2772	10853	4334	1452	10053	5980	10555	0	4275	4291	787	0	453	5646	3189	2553	0	5494	296	0	3764	665	Unclassified	0.07692308	1.0769231	0.15384616
10	C13 H14 O1 N2	215.11789	215.11813	-0.053721603	215.11787	4718	2670	3139	3040	0	1040	944	4588	0	3587	4192	2040	0	0	1243	7195	0	1880	1387	3634	3641	3279	2284	6290	3123	0	2151	2709	3431	3053	3236	3492	5185	3331	2822	2094	3619	1749	6060	2371	5809	2583	0	0	0	2548	0	0	4031	2451	4006	3232	2506	0	0	0	782	6141	0	3959	0	1468	0	0	811	0	1382	7333	0	1313	1758	2166	2182	1674	3791	2211	0	1841	3410	0	2697	1004	0	1948	0	0	4687	2535	1646	24365	2693	0	14467	1460	2104	0	2898	2801	0	0	0	2990	1681	0	0	9136	0	0	4506	0	Unclassified	0.07692308	1.0769231	0.15384616
6	C11 H18 O4	215.12779	215.12808	-0.14434746	215.12776	11434	10542	11115	9774	16273	9573	17127	13806	7632	4871	4337	7421	13508	22398	7851	17280	15252	12036	15252	9178	6017	6677	9649	10810	7875	6032	11414	4338	16279	13898	14756	17273	13329	13503	6576	16899	14566	9401	19723	3355	2849	10577	2198	1584	1574	8135	8354	1467	14797	12723	10862	12012	10879	1607	10598	9976	6288	16252	4897	7155	17038	2110	15938	4907	8898	10140	14838	15925	3193	4277	3321	10897	12982	22679	10120	13111	1179	7330	6203	4004	5056	6461	22954	19998	14763	10410	9717	7933	9957	30420	6889	10287	10176	4115	4099	1613	11660	13750	8501	16853	27619	16748	6837	8945	0	9986	13416	1184	6974	13018	Lipid	0.36363637	1.6363636	0.0
20	C11 H18 O4	215.12779	215.128	-0.06351883	215.12778	23371	21052	21725	18722	22009	30518	79824	22674	15644	6754	16626	14439	18333	55391	49300	18131	19136	15153	17637	7674	5602	5624	22283	14517	42485	6272	53804	527748	25927	33398	23915	22127	29384	24405	2896	21819	25556	28941	21658	5445	5238	24486	51174	13254	13122	4511	5826	11934	28411	25054	26220	18317	16508	42414	16080	11884	20849	21821	11959	10419	26754	4146	21424	14040	33212	43129	37936	23262	4151	3170	4280	19458	18656	37626	19423	29543	12563	21157	11845	135882	10400	13945	67514	40051	12712	26357	26175	16427	20232	13024	58868	56565	19198	21786	4612	12706	22299	21743	19609	10911	14548	26976	16483	9785	14374	13914	17385	11857	23827	17343	Lipid	0.36363637	1.6363636	0.0
14	C11 H18 O4	215.12779	215.12804	-0.09830757	215.12776	74994	85225	76188	81667	47719	97068	278177	154810	40466	23064	28532	66422	58532	635632	131975	118228	154119	63937	58741	21884	14655	23160	81004	58501	178076	43714	229958	70169	188726	176093	185081	215563	133146	192442	17946	209204	112374	103200	171093	9871	6980	110193	72448	11021	9543	22699	11011	10395	157678	117621	85026	72241	52255	30936	45003	34791	58000	143895	27036	16677	170109	7635	112357	33365	203278	85723	208824	140648	20650	27311	10553	199610	231275	320439	77821	186179	6956	121360	32128	103335	39433	31932	247563	259792	57311	68157	77382	52192	88478	50117	56286	44976	67712	14853	13969	21355	75552	94985	35732	53912	74428	132258	89913	25928	16465	88279	42181	10328	112686	54835	Lipid	0.36363637	1.6363636	0.0
10	C11 H18 O4	215.12779	215.12804	-0.12394526	215.12776	50190	44740	44908	42256	44749	43597	135765	48485	19793	15478	21834	30980	40490	293129	34226	67657	208064	47443	39497	20639	16767	17806	26865	32790	71191	23401	199181	33194	69074	63974	42122	66514	51422	54175	16326	74077	60229	39063	231832	8317	12733	42194	18031	2968	3293	20424	15911	3573	58926	45262	49546	48301	32137	5056	22953	27521	27003	68308	12628	23368	78095	6875	65214	16246	163470	49791	119421	200573	10648	18167	16330	48028	70225	87485	102813	61380	3143	26398	28257	35506	36960	27058	92749	119706	37973	49195	49709	27931	43285	44139	25947	24585	31461	10373	12810	4199	47282	62409	27459	34241	49418	58953	25753	23258	0	31895	27881	2903	85764	34142	Lipid	0.36363637	1.6363636	0.0
22	C11 H18 O4	215.12779	215.128	-0.022825032	215.12778	10800	6466	12740	8925	7452	10132	25785	12367	4749	2952	9587	7389	7648	14629	9234	8534	9966	8516	6370	0	2454	3782	5585	6542	8354	2435	18439	729240	12194	8912	10687	11365	10804	9423	1936	9238	12348	10001	11491	1551	2235	7713	17428	5010	7362	5463	2724	5428	9839	5842	10373	8615	7455	8356	11969	10888	9875	10433	6471	4423	7256	2073	6550	5973	12330	11611	14175	10796	2265	2069	0	6132	5380	10625	7911	7368	6916	5763	5526	52552	5331	4456	21406	13725	6280	10253	12549	4194	7673	8671	9701	6613	6744	6103	2237	4773	11067	14336	8794	9974	9375	11845	5377	6279	6056	10955	7692	5509	7864	8327	Lipid	0.36363637	1.6363636	0.0
12	C11 H18 O4	215.12779	215.12805	-0.07898529	215.12776	58385	48540	54954	55854	39359	44078	193336	54888	19153	12897	23000	28196	41764	227435	53004	73988	107677	45578	47820	13431	15855	18411	38316	30591	76375	54480	235190	21585	87602	63890	52918	81981	60058	76075	19433	70331	60001	53839	116954	6999	12046	55966	15629	4574	4257	18469	10838	4913	96859	51573	59005	54113	35561	9479	29704	22466	36583	73464	9764	18030	70735	4149	67580	21816	172657	56501	118591	99074	0	9658	17191	57330	77878	75773	68289	79487	3292	33660	22911	24908	27355	25905	203355	259423	39357	63955	42956	40892	50238	34771	39170	29303	25993	9184	19370	6717	52415	49987	26606	46322	64062	61252	34420	18403	0	37430	32262	4288	57314	37134	Lipid	0.36363637	1.6363636	0.0
8	C10 H18 O3 N2	215.13902	215.13928	-0.11086118	215.13899	17113	20233	11887	20293	5909	8311	5764	7653	4566	3060	6561	6046	4717	3261	7629	12403	14210	6071	7008	1887	2529	8125	11302	12277	8734	880	6901	54564	8174	6325	5985	9523	9650	11854	2986	8726	8172	6649	14969	2269	1909	5435	0	274	0	3575	4660	349	8882	4824	16433	16989	5115	277	3514	1681	2899	11400	2971	7172	7162	0	3614	3286	2700	5781	3748	15523	0	0	0	8826	7366	9749	11165	8463	0	3790	10522	374078	12291	3677	6443	758	3309	4024	15516	6559	5784	18694	721494	249283	18777	36588	8867	523	16764	14904	3822	2656	2876	9034	5192	6441	0	11692	5544	329	8359	4758	Peptide	0.3	1.8	0.2
6	C10 H18 O3 N2	215.13902	215.13931	-0.13197218	215.13899	26374	34274	25949	29925	10451	11816	18292	20940	5934	10635	11259	11125	7516	5748	14408	55245	27365	14072	11660	5248	5232	27767	12704	28210	14999	1409	15389	58382	16907	13554	21245	23498	18658	21805	14750	19278	19248	14172	33886	4771	9709	8872	713	0	0	12514	9597	310	30106	16585	30663	31566	16239	317	9063	3496	6245	42137	6260	9758	51589	2838	7970	4256	4522	13402	11588	37492	0	4637	2300	17510	17252	12038	14622	13844	0	10054	14423	312984	14272	7925	7219	2927	7602	7366	18143	10592	10024	47379	766092	404890	43089	36678	21462	0	30937	23218	3668	5802	6680	18092	11000	9628	8246	37415	8624	0	24363	11198	Peptide	0.3	1.8	0.2
12	C10 H18 O3 N2	215.13902	215.13925	0.00112382	215.13902	4883	5822	4244	4620	1759	2842	0	1501	2500	0	0	0	0	2921	1737	5147	2844	2763	2594	0	0	0	1712	3291	5612	0	3676	25342	2025	1593	1231	3407	2292	3843	0	1499	3868	3533	2491	1332	0	2398	277	0	268	0	0	0	2453	2049	4965	6181	1700	340	3695	0	1540	8546	0	0	0	0	2031	0	0	1612	1099	0	0	0	0	2187	2026	2551	2261	1545	234	1003	0	52614	1950	1108	1944	0	1280	1305	6695	3678	2726	7343	317246	189806	4454	4827	3107	423	5706	4750	1621	0	0	4340	1315	0	0	4869	1693	353	2883	1905	Peptide	0.3	1.8	0.2
16	C10 H18 O3 N2	215.13902	215.13911	-0.010391036	215.13902	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13892	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	348	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9566	0	0	0	0	0	0	0	0	0	0	55925	10153	0	1304	0	432	0	0	0	0	0	0	0	0	0	0	0	306	0	0	Peptide	0.3	1.8	0.2
10	C10 H18 O3 N2	215.13902	215.13927	-0.05632036	215.139	11119	10074	8752	9044	2837	5795	2380	3699	1362	1387	3268	2057	0	0	2071	5567	2892	1873	1746	1273	0	2558	2928	5327	3337	0	3550	37562	2658	3364	3462	3757	3155	2390	1578	3440	3086	1656	5338	0	0	1805	583	0	0	1892	2653	0	3466	3158	9227	9012	2580	387	1401	1026	1296	5213	0	5340	0	0	969	0	2000	2129	1322	4410	0	0	0	3929	3211	5869	4445	4260	0	705	3296	200482	2315	1104	2307	0	2059	1691	3220	3316	1504	7236	699151	207908	8527	21570	8446	0	9684	7694	1637	2126	0	3012	2690	0	0	4124	2591	0	2243	2900	Peptide	0.3	1.8	0.2
14	C10 H18 O3 N2	215.13902	215.13919	-0.009689945	215.13902	1795	3156	0	1352	2083	0	0	0	0	2370	0	0	0	0	0	0	2067	0	0	0	0	0	0	0	1271	0	0	27827	0	0	0	0	1555	0	0	0	0	0	1523	0	0	1126	0	317	270	0	0	0	0	0	0	0	0	0	0	861	0	3081	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1349	0	0	1483	327	0	0	14876	0	0	0	0	0	0	2043	0	1229	5395	208847	46053	0	0	0	0	0	1987	0	0	0	0	0	0	0	0	0	0	1944	0	Peptide	0.3	1.8	0.2
10	C15 H18 O1	215.14304	215.14331	-0.10292184	215.14302	22499	20850	15300	18289	13273	11120	17337	26608	12747	9586	11118	11638	12820	11358	17209	28426	23689	10250	16262	11142	14629	25264	17663	20851	22054	15384	23090	10862	17652	16771	14398	17253	17566	9797	13810	13907	13225	16337	27431	11173	20736	9524	4703	2707	2830	17881	16035	5793	18595	15739	19235	20452	13242	2974	16183	17229	12581	29793	13503	19013	21968	7884	9231	11650	7480	13144	10304	32203	15117	13861	17755	10666	12791	16501	19393	19672	2810	9706	26632	14646	21231	19591	18596	9413	26826	15164	27364	7439	11314	80597	22580	16804	42385	22386	23424	3666	15325	18714	14309	34952	37872	18079	16051	18440	0	18097	18904	2539	25196	9788	Phytochemical	0.06666667	1.2	0.0
14	C15 H18 O1	215.14304	215.1433	-0.09063669	215.14302	76602	87436	68172	76593	53633	34885	85023	69860	54033	41455	39951	53607	53257	43326	48542	99985	117070	44209	59848	59491	53030	98580	59513	74320	61586	73590	84991	37506	59419	64117	64470	70645	68055	46556	50187	59768	57879	49526	121230	44369	72081	41834	4098	3037	2484	52553	65670	5317	72869	54555	79897	81725	49730	3738	53866	55286	48746	109301	36955	65958	79623	27454	44150	48835	37547	46648	51640	117837	45452	59561	91647	44293	47592	55074	89804	71294	2347	40410	93101	51182	68464	51571	77968	72493	90172	42824	109326	43611	47928	381444	90731	79311	172035	55266	73012	4424	70859	68376	49182	110975	118330	60068	53355	68134	26184	76451	55869	2855	85268	38659	Phytochemical	0.06666667	1.2	0.0
28	C15 H18 O1	215.14304	215.14326	-0.083802305	215.14302	25248	23688	21465	20213	25501	17578	22126	31293	18104	12241	13439	19667	21215	22880	20138	35542	26627	24003	31273	17357	17202	33918	30211	25797	22383	21765	23564	17715	23968	28036	25672	30801	32031	22309	18034	31932	24366	20432	25506	14580	16326	19736	7557	6403	4424	14999	13009	8141	25089	30009	25149	24848	23312	6918	20888	23876	14589	47052	15144	12555	34917	10203	18705	16052	14595	24483	22677	27763	19244	21266	21568	17077	20827	23820	19250	27551	4900	18642	27725	21183	20579	15718	17088	14160	24064	13559	41024	16217	21737	71242	34022	30485	69974	18070	16660	7241	21156	20759	19174	31570	29379	30734	19554	19580	11754	39360	19823	5898	26179	16313	Phytochemical	0.06666667	1.2	0.0
26	C15 H18 O1	215.14304	215.14328	-0.011524023	215.14304	75283	72495	65635	66739	81917	45232	60203	89459	64901	40041	47237	59985	57150	63862	85637	121123	72994	71221	99352	69607	65719	88951	65493	77637	69126	53206	63156	61302	74029	84725	77346	102591	94521	59217	58834	95037	80113	79123	91939	57524	55772	104355	12841	13604	11830	42872	29463	16522	86294	71644	75362	76149	60263	10873	67037	65496	48631	133110	47382	37101	106319	28579	59365	54324	35804	61767	65691	105336	46282	60609	59144	53621	60940	87349	64824	93881	0	55540	85066	68237	64071	44607	52273	45830	76251	49586	116382	52124	62352	159377	102979	79747	183993	53275	64550	13895	69020	76226	56828	93477	75148	92361	61943	59450	27863	92569	57272	12542	82813	52098	Phytochemical	0.06666667	1.2	0.0
24	C15 H18 O1	215.14304	215.14325	-0.05384427	215.14304	170907	197066	163575	176104	185977	113397	148752	205655	121631	128815	119088	122701	152030	141268	188843	300088	226978	160565	197659	171447	162787	227392	161347	189693	175846	109051	140495	142727	176183	169156	141406	327313	193839	220948	151702	367120	195840	167903	240873	112536	109271	188268	19391	12612	12036	104131	104304	19238	196347	177741	174174	187554	143036	10750	147521	127469	102358	348603	113152	94306	270085	65165	132115	111509	84780	165171	142096	224079	95029	105141	125931	129252	141155	162470	415615	183977	22485	122490	190146	161889	154433	110458	124657	105089	159482	112164	239813	123885	141641	471271	311615	271788	583080	158600	186995	15244	171376	182824	122662	174673	170725	239918	125161	159043	91861	254131	123596	17262	208371	120457	Phytochemical	0.06666667	1.2	0.0
20	C15 H18 O1	215.14304	215.14326	-0.062071774	215.14304	205431	249060	213959	181715	216947	136887	219576	226706	139861	168472	131877	163933	159890	172391	190232	324326	315752	175403	204947	201455	201993	289046	160653	217891	188914	193616	236685	146157	207140	195794	161199	215743	232909	192696	184540	187435	234472	167347	292205	141407	180225	182512	11532	5289	4054	123561	178797	8112	218771	163300	213211	225412	173993	6034	139546	174286	135587	321178	126114	172959	240171	93709	168988	137638	111295	178274	162496	306122	136947	158584	213982	164874	178172	188785	291913	204501	3405	125293	245213	230928	175609	107454	217776	161654	226580	152221	306203	171063	165751	723637	341199	283019	533172	183446	224940	6340	210669	230906	164807	257603	277576	277758	163588	188807	114211	253637	176496	5612	226990	155529	Phytochemical	0.06666667	1.2	0.0
22	C15 H18 O1	215.14304	215.14326	-0.055944864	215.14304	219908	256205	206827	235242	229142	157313	210938	241639	158952	198565	175236	161647	141549	172519	229071	411277	286827	198702	199291	252106	239277	331972	217948	249565	253773	154964	218665	171458	209403	216345	183504	233962	239458	205297	194844	227514	231526	196494	297238	143544	161511	223510	17987	5836	4986	158595	191755	9511	209731	205235	223618	229001	186367	7274	188378	172924	140518	425737	129393	170561	334920	99297	158816	142870	122169	204524	191721	296585	109313	158722	168383	166152	151000	178250	217835	232433	8374	146235	266087	216657	202726	138577	185960	140717	228569	171721	319941	177330	169962	775081	412289	378455	710334	195944	302664	9998	191345	241130	174138	262272	223193	290853	167278	204356	129960	361321	180894	7281	250630	168557	Phytochemical	0.06666667	1.2	0.0
12	C15 H18 O1	215.14304	215.14331	-0.09800581	215.14302	55595	66413	58700	59406	26814	19533	43918	46027	23298	20038	21377	28976	19571	19146	26428	68646	56978	21006	31362	32674	30547	63968	32221	40135	39388	25824	62790	18338	31155	41155	34816	46348	30459	27285	27149	36831	33428	33129	66127	25914	41105	22390	3867	2425	2343	25994	41515	4867	42555	41694	57802	66878	26761	2933	25285	30664	27265	61809	18600	31578	46798	15686	28501	16063	17906	20647	24375	57295	26526	26571	39184	26551	24332	40242	60828	40304	2176	23541	50893	37579	37644	31869	37687	25482	43963	26137	59391	18861	24513	355094	61575	64251	101166	41433	69109	3572	62302	52636	24124	53669	57995	40580	28415	32421	24061	44389	34691	2793	43364	19343	Phytochemical	0.06666667	1.2	0.0
18	C15 H18 O1	215.14304	215.14326	-0.074754246	215.14302	187878	201096	162840	148114	150721	104728	189816	184476	88266	123138	111971	123881	111454	144034	122828	249921	262783	120049	187456	158218	160001	213630	136112	160130	135408	168809	199391	109686	149455	137055	146708	169297	197940	137802	116015	157094	169900	120886	293997	122068	156926	110743	9480	3415	3504	100332	137938	6153	176622	143433	178332	175697	133102	4391	125455	134330	103474	245797	98454	151139	186943	70261	122238	96599	102152	136256	142084	309486	141629	141070	205869	112542	115585	145740	220517	156079	2836	88219	201181	178638	147006	108328	156647	145199	176312	127928	221713	123712	139466	693619	237280	232182	409586	124368	185473	6055	179021	155112	121403	207483	242963	196232	104919	152239	68454	163634	115855	3234	183932	104844	Phytochemical	0.06666667	1.2	0.0
16	C15 H18 O1	215.14304	215.14328	-0.08581609	215.14302	112771	141111	108801	114161	101058	60676	121541	111502	73176	76047	64512	85029	76550	79180	83103	157226	199945	80495	117419	90944	96448	159435	85458	129535	93083	130324	132326	66048	83975	106784	84871	110056	109412	82491	84816	114317	107880	79899	206380	88208	110999	71254	7376	3343	2840	88715	102153	4843	120629	108806	109894	125173	91404	3848	71357	91252	74359	167140	52644	114279	119538	48838	85752	60534	55348	88210	88604	189377	98507	101921	149890	73592	86196	94929	148943	113349	2634	62479	139680	126627	96439	83049	139645	111219	133075	73434	166148	77796	78803	614171	144423	164211	241043	93217	136322	4499	114722	113778	85795	159805	194700	111831	70377	100263	43366	125675	100228	2942	127515	78118	Phytochemical	0.06666667	1.2	0.0
8	C15 H18 O1	215.14304	215.14333	-0.12734982	215.14302	8923	9203	4716	10610	7145	7542	7372	11977	6726	3141	4113	7667	7717	8317	9662	10734	8043	4249	9766	6352	5896	15934	9206	10101	9307	5575	7908	4103	7186	9137	7340	9452	9429	6429	6963	8882	8008	10015	11781	8083	6958	5602	2783	2329	2637	11361	12959	4454	8449	8249	8119	10885	8370	2680	8785	10778	8190	11174	6960	7514	12575	3924	7180	4920	5588	5965	5012	12793	7281	5874	7151	8024	9447	7909	8060	10525	2553	5818	15677	5583	14072	10919	11519	4687	11754	5392	13648	3869	7579	35666	11036	10225	22631	9979	8396	2970	11406	10125	6958	23397	19623	8130	9274	9333	6814	9602	8631	2312	11178	6053	Phytochemical	0.06666667	1.2	0.0
16	C12 H22 O3	215.16417	215.16428	-0.11717729	215.16414	2472	1665	2770	1573	1196	1704	36740	0	0	0	0	0	0	54604	0	0	1500	0	0	0	0	0	0	0	0	10789	35510	3858	0	1685	0	3070	0	0	0	1679	0	0	1573	0	0	2109	7960	4203	4593	0	0	4396	3422	1464	2730	2282	0	6172	0	3381	2144	0	0	3143	0	0	4064	0	27946	0	14757	0	0	2191	0	1986	2543	2117	0	1568	4905	1414	0	13621	0	3043	48171	164639	0	0	0	1441	1555	0	4530	3398	0	0	0	4538	3536	3500	2130	0	0	0	0	0	0	0	0	3910	0	2126	Lipid	0.25	1.8333334	0.0
26	C12 H22 O3	215.16417	215.1643	-0.022917464	215.16417	5778	6103	6574	8233	2617	5302	11302	0	2934	1693	3653	6380	0	6602	0	0	48690	0	0	0	0	2227	0	0	6741	0	10580	9049	0	0	6243	3977	7084	3225	2827	0	5027	5110	79089	2675	2206	7563	9199	14974	14108	0	0	9924	3908	0	9081	7131	3159	12673	0	5909	8698	4899	6356	5206	0	4201	2451	3029	16073	3565	6706	121073	0	2555	5132	5924	3669	0	0	3754	0	5627	2666	8801	2895	4791	4518	4936	5029	10972	2739	5771	3593	4628	6806	7547	0	2927	0	10062	5752	7550	5428	4209	9232	9178	5181	6308	0	3561	6972	11802	7045	2478	Lipid	0.25	1.8333334	0.0
28	C12 H22 O3	215.16417	215.16441	-0.037266478	215.16417	6692	6776	8037	7083	7288	7540	9549	7194	4045	5732	8701	8110	4729	9925	7335	8271	84211	4915	4491	6195	6708	4636	7608	8497	10167	11429	14228	9896	8910	8549	8275	6656	9289	8272	4773	9069	11289	8424	77108	7202	6696	8658	14863	13487	17459	8438	7841	12397	8710	9714	8287	7942	8351	18230	5278	7306	8383	5323	8901	10522	7530	8047	4413	6493	11632	4346	7445	97563	9617	6133	6790	9516	8508	9184	12671	8882	17343	8350	6428	8849	8982	9226	10556	9778	4606	6351	6222	6523	7327	6924	9582	10077	5238	6446	4380	13058	8311	7615	9673	4628	4519	11497	8606	8818	10000	8021	6860	13789	7476	4212	Lipid	0.25	1.8333334	0.0
12	C11 H22 O2 N2	215.1754	215.1757	-0.09627659	215.17538	2694	3711	3989	3308	11931	2322	0	0	0	20602	0	0	13449	5911	0	4729	3225	1238	1536	0	4132	0	0	0	0	0	0	0	0	5106	0	1393	0	3119	4454	6308	0	0	0	4281	0	1036	7201	0	0	1983	6618	0	4046	3483	4339	4250	1397	5820	0	1850	4443	2189	0	0	0	0	5779	0	35558	23901	0	12783	0	2492	0	4573	1510	0	11006	3568	0	0	0	0	0	0	0	0	10091	66809	0	14463	0	7793	6523	0	8967	0	12215	0	3663	3085	3255	0	28721	2530	0	0	0	2087	35566	0	0	32325	Peptide	0.18181819	2.0	0.18181819
18	C11 H22 O2 N2	215.1754	215.17558	-0.11419984	215.17538	9063	11284	9624	6753	0	0	0	33476	0	0	0	0	0	0	4492	271178	44477	0	0	0	0	0	0	6243	7118	0	0	0	0	0	1385	3802	0	8281	0	0	1718	0	70015	0	0	3287	0	0	0	0	0	0	6554	12231	9970	8659	0	0	0	0	0	195705	0	0	270339	0	0	0	0	0	0	64064	0	2313	0	4290	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1093	0	0	0	0	0	0	0	0	8800	3448	0	0	0	3120	0	0	0	38762	0	0	13889	0	Peptide	0.18181819	2.0	0.18181819
28	C16 H22	215.17943	215.17966	-0.06756973	215.17941	9057	7743	9289	6707	9385	3705	10898	9606	6247	3269	6334	6558	3745	6734	7546	10943	12223	4214	7185	7017	5155	5986	7256	6124	13479	6636	12425	9820	9200	11323	8298	12245	12638	9037	5789	12475	7420	11983	14632	4070	5111	6319	2013	0	0	4706	2855	0	9703	13537	8539	7899	8029	0	4818	4601	5330	13762	4834	4648	11123	4640	3951	6322	4770	5945	11615	15470	6040	4389	5144	4748	6627	12341	9166	9794	0	5603	14475	11425	6687	6952	7058	5573	8356	7614	36090	4425	6921	26775	22634	16532	13858	9680	2798	1298	6128	7473	8607	9977	11432	12368	6046	7144	5230	10638	8742	1563	12575	2556	Lipid	0.0	1.375	0.0
22	C16 H22	215.17943	215.17966	-0.053785194	215.17941	27046	33330	21245	25472	27537	14670	57963	32977	19235	19735	18504	20838	11817	31420	24732	43377	64034	17553	19666	25664	23108	27956	18307	24391	26538	26352	59953	25365	24904	35680	22976	29517	36552	23740	16036	34177	26057	25726	72048	18760	29913	18648	0	0	603	13969	30368	0	34280	39997	33904	24880	21679	2135	12308	15434	22335	46596	11607	28882	36060	11385	15517	9984	25316	21052	30736	73763	23358	25630	35353	23102	23750	28000	49209	33850	589	15933	33959	53436	23471	21925	30947	31153	21784	19269	61786	20973	19379	103628	55804	37055	33609	20974	26486	0	26058	31233	20369	19825	18382	40220	23273	21333	13978	29669	19372	0	40862	11053	Lipid	0.0	1.375	0.0
20	C16 H22	215.17943	215.17967	-4.71866E-4	215.17943	13335	13818	8935	11644	7146	5865	25388	13003	5142	5382	6637	9277	2495	12150	10481	16392	27699	6514	7651	7111	9294	9040	6844	8342	11259	13591	28811	7695	9536	12717	10445	14931	11601	11862	5381	12686	11588	8385	28372	6737	9816	8687	1211	0	301	5435	11024	0	13283	15532	11481	12766	10200	1005	2693	5885	8333	17118	6025	14415	15783	3591	4847	6211	9904	6841	8494	32067	7153	4263	10558	5413	12980	15731	29189	15848	0	6728	22375	34040	11639	8308	18968	17947	9488	4974	21182	14716	6674	53866	27218	16981	12777	7696	7535	0	10230	14224	7393	8784	9489	12142	8416	9420	5295	11533	8044	0	13658	3769	Lipid	0.0	1.375	0.0
26	C16 H22	215.17943	215.17969	0.012549021	215.17943	35822	35576	33877	34170	30319	21575	44052	32712	46015	16742	33049	24051	16192	26385	48429	62123	69237	18182	32928	25263	23340	31033	20103	25052	42370	32233	55101	47528	38566	43578	27512	39729	36733	25193	26843	49724	35332	53850	76193	24004	29085	31020	0	0	0	18276	18440	0	41441	34363	37413	39837	27774	0	24403	37242	58041	65057	22004	25628	47250	14077	17384	13741	25329	25968	45090	87237	27212	21960	32309	14286	19819	48114	46679	47062	0	23667	52092	57788	23540	28458	28030	26135	29780	20967	109245	20486	25737	127454	62126	50860	54367	28369	38468	0	32035	38863	156777	27303	28169	45215	26663	32793	23054	28987	31614	0	53491	15064	Lipid	0.0	1.375	0.0
24	C16 H22	215.17943	215.17964	-0.04346051	215.17941	45815	58141	41624	43371	42819	23891	72242	44589	25730	35487	41691	30098	24571	48839	38532	72115	90565	27483	40888	41794	40160	39580	30330	42728	46008	52257	71929	52574	41565	48045	31335	54697	44447	35025	28453	56105	45158	36475	92351	32444	40488	30933	3855	0	0	27195	35885	2095	54038	52820	42659	46299	37019	0	26003	25619	28080	69750	24155	38828	58707	20429	29301	16647	31247	40115	52687	87001	36925	35757	49360	35632	31871	46611	73498	55716	0	23968	58730	83545	35886	36072	34087	42219	31739	25502	107251	36918	41127	165893	98676	65791	66173	46962	51254	1896	44235	51325	33471	29686	38284	53848	27913	42382	23715	45411	35658	0	60538	25357	Lipid	0.0	1.375	0.0
2	C10 H22 O1 N4	215.18663	215.18689	-0.21479703	215.18658	1770	1289	2206	1134	0	0	0	1488	0	0	0	510	0	0	611	6404	0	0	0	0	0	4567	701	2146	2591	0	0	0	1414	2941	1740	3130	616	2838	0	4202	933	476	0	0	0	0	0	0	0	416	0	0	1118	1179	1860	1447	0	0	0	0	0	8010	0	0	4678	0	0	0	0	0	0	0	0	330	0	1799	5475	15722	2880	4583	0	334	3060	0	579	0	0	0	0	0	12775	0	0	25466	2502	702	12564	0	399	0	1362	2120	0	0	0	567	372	0	0	2367	0	0	2872	0	Unclassified	0.1	2.2	0.4
8	C12 H26 O1 N2	215.21179	215.21205	-0.06388822	215.21178	13944	17276	13366	18443	0	0	2855	16694	0	2814	9658	0	0	0	10896	60898	56713	0	0	0	0	0	14131	44987	56525	0	4965	27929	16084	4418	9030	13041	39607	15691	0	10780	46204	10157	75217	0	0	0	0	0	0	3457	0	0	22391	4465	15722	13099	0	0	0	0	0	101663	0	0	87036	0	0	0	0	0	0	195392	0	2863	6863	5069	7787	10670	3723	11935	0	662	2015	17844	7125	0	0	0	0	0	0	7175	1339	4614	153312	18034	3992	2343	0	0	13630	15836	0	0	0	36567	0	0	0	0	0	0	50884	0	Unclassified	0.083333336	2.1666667	0.16666667
12	C8 H9 O4 N1 S1	216.0325	216.03275	-0.07723128	216.03249	4885	7773	4882	6724	6330	7165	3121	11780	4467	2024	0	2763	1440	6511	20199	13173	6172	5828	5971	0	0	0	5979	5387	3689	0	1701	11162	11628	12222	17598	15909	8253	13897	0	12571	6318	21917	5664	0	0	6275	0	0	0	0	0	0	11923	10342	6943	6072	5112	0	1859	0	3066	18275	0	0	0	0	3153	2075	1513	5175	5641	4732	0	0	0	17009	12729	15569	5917	15696	0	2240	2973	0	2192	0	0	0	0	2980	9458	5797	10943	5253	16424	12849	6445	0	0	0	5863	5682	1805	0	1260	5609	2899	0	0	14749	3015	0	3703	6161	Organosulfur	0.5	1.125	0.125
10	C10 H10 O3 N1 Na1	216.06311	216.06355	0.780584	216.06328	0	0	0	0	1427	0	0	0	0	0	0	0	0	21872	0	0	0	0	1815	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2997	0	0	0	0	0	0	0	0	0	0	1684	0	0	0	1860	0	0	0	0	0	0	0	814	0	1617	0	0	0	0	0	0	0	1828	0	0	0	0	0	0	0	0	0	0	0	0	0	839	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1617	0	0	0	Phytochemical	0.3	1.0	0.1
16	C12 H9 O3 N1	216.06552	216.06577	-0.038463037	216.0655	9029	6730	9834	9300	8483	10069	12197	9916	4492	0	4318	7560	7413	6010	8121	22187	15077	10347	15723	2379	2878	8656	6894	13281	8490	1340	7106	3430	12877	10023	14219	12928	21249	15555	1610	15036	19212	7229	16594	5878	3509	10381	1959	1645	1776	4601	4775	2520	22120	10844	9360	8595	9914	1463	3294	4214	7284	21958	0	3263	25249	2341	4738	5296	5721	14890	11709	20264	0	1625	2860	22110	11557	8706	12227	12077	1544	6675	14566	6004	7195	3608	3905	0	5487	6732	20249	11529	14054	27327	5335	4233	0	2831	4262	2299	12081	5734	5174	7755	8348	11457	7811	6022	0	15404	2282	1462	12808	6465	Phytochemical	0.25	0.75	0.083333336
10	C12 H9 O3 N1	216.06552	216.0658	-0.009991535	216.06552	22744	18368	17423	15276	15409	20415	19842	20159	14838	4795	8862	16196	13299	12504	16453	43745	28384	33609	35111	6562	5123	18284	18436	32122	16791	2597	24573	8407	16386	19693	17484	22603	42252	25910	7709	19073	35660	14661	41548	3308	5001	21986	1819	1406	1933	6660	5490	2121	23211	15856	16565	22610	20122	1709	13026	7031	10921	41179	4231	5830	42774	1622	15823	11239	11043	22633	20590	39978	0	5360	2422	23098	19873	12567	22992	22638	1385	13646	33048	10946	23308	6252	4729	2626	13900	15294	32379	31318	26293	63947	11575	9967	48996	4475	7964	2472	17962	19279	10831	14782	16680	30636	16790	8357	0	36648	7876	1467	20934	23325	Phytochemical	0.25	0.75	0.083333336
8	C12 H9 O3 N1	216.06552	216.06581	-0.050319556	216.0655	7796	8781	5149	8331	6960	6297	10240	6984	7878	4720	6645	6866	10739	6865	7813	15578	11056	12412	16074	2593	2969	8017	6391	10438	6313	1981	8043	5520	8666	5831	8264	8859	12756	11253	6938	4769	12463	7869	12677	2910	4201	8542	1577	1303	1779	3176	1921	1710	10017	6637	7870	8758	9914	1281	8574	6751	7353	10880	1786	3544	9957	2071	12071	9753	5430	12977	7532	15734	3624	2199	0	6926	7599	5176	8539	7371	1161	4839	10804	3245	10443	4863	3614	1797	10207	6932	11479	12046	11160	24789	0	0	18300	3447	6051	1761	6730	8463	7295	7999	6127	11571	8446	3783	0	15950	5925	1167	8377	12069	Phytochemical	0.25	0.75	0.083333336
14	C12 H9 O3 N1	216.06552	216.06578	-0.010294397	216.06552	11741	12434	6591	11132	11278	9519	10668	10427	8640	7458	6715	9628	8298	9037	7654	19619	13504	16578	14612	5249	3691	15285	7575	11950	11273	2022	14220	0	11521	6802	11215	15607	24694	13302	7365	7824	18860	7719	19987	4030	5646	10837	0	1474	1658	5179	0	2259	13079	6663	10874	10897	12553	1409	5925	5228	8441	30457	0	7197	0	2911	11366	9604	5380	13462	12656	22898	0	3238	3287	10274	7693	8677	12003	13067	1402	8534	15810	0	10781	3392	6765	3077	7803	6453	17473	23571	17676	47686	10896	8394	26363	7252	7591	2688	14251	7965	5581	5594	7169	16407	11470	6827	0	19022	5181	1763	14913	8682	Phytochemical	0.25	0.75	0.083333336
12	C12 H9 O3 N1	216.06552	216.0658	-0.020160265	216.06552	11347	14623	10178	13993	10659	9048	14096	11187	10056	5272	7472	9398	8482	6092	10544	21387	15638	17800	19460	6643	4955	13064	11271	14874	9657	2280	13590	0	10506	11230	10113	10352	17879	10740	5378	9554	24109	9695	25261	3955	5726	11516	2101	1362	1705	4924	5443	1994	18197	8933	13085	11480	14588	1260	7459	5644	6518	21190	0	0	0	2275	15186	7563	7288	16850	14979	15503	0	2399	3343	9711	7767	7710	16700	12479	1082	7030	12271	0	10774	5051	4147	2691	9950	9809	16018	18106	16231	33976	11298	6802	22138	5156	9221	2287	12872	12771	9679	8121	9982	18159	8651	8391	0	15133	7969	1794	12112	16269	Phytochemical	0.25	0.75	0.083333336
10	C9 H13 O3 N1 S1	216.0689	216.06917	-0.059030537	216.06888	7707	6155	6350	8970	9827	15592	9390	8407	5186	4866	2261	4208	12476	11647	6980	14883	7963	14033	8437	5853	6435	6839	3075	11434	16775	0	12834	4635	12366	6810	11493	17444	13690	18286	8861	10937	10533	5815	9956	5246	7609	7386	0	0	0	6417	12415	0	12287	9011	8337	9456	6943	0	2627	2366	3233	23345	5574	6687	15216	2176	3363	2781	2393	9413	5175	9961	0	0	0	9175	11296	6841	8543	8918	0	3321	5258	0	4379	6811	6802	2009	8486	6095	7022	6670	10774	4736	15088	14341	13174	6637	9751	0	8396	7591	3873	7109	8085	8602	6420	6742	0	14600	8679	0	6492	4015	Organosulfur	0.33333334	1.4444444	0.11111111
12	C9 H13 O3 N1 S1	216.0689	216.06915	0.013511399	216.0689	5227	7812	5540	6444	5048	6288	3327	1760	2487	1863	2262	3001	2247	1603	2287	10551	4941	6397	2893	3340	1837	0	1983	7747	3005	0	6345	0	7251	5235	5854	10973	6325	14878	2559	6583	14156	1808	5349	2648	0	5145	0	0	0	3137	4005	0	10559	3471	5358	8957	3322	0	4274	0	730	10425	0	0	0	0	0	1210	1047	2442	4260	0	0	0	0	10109	7595	6130	7447	7709	0	3406	1289	0	0	3110	2029	1196	0	908	3960	7543	3750	0	20026	17657	3872	0	5857	0	5293	5552	1552	974	1345	9056	960	6015	0	6448	2191	0	1603	2227	Organosulfur	0.33333334	1.4444444	0.11111111
10	C11 H9 O2 N3	216.07675	216.07704	0.059181817	216.07677	5296	4709	2536	3863	1876	1340	5051	7453	0	1555	0	5117	1053	0	5390	12865	10644	1821	2950	2143	1499	7500	5146	12133	6091	0	8753	0	5636	6976	6761	9936	7623	9548	2439	5381	7518	4876	16210	0	2156	4140	0	0	0	3074	0	0	11515	9309	3727	5095	2530	0	0	0	1113	10131	0	2065	11504	0	0	0	1817	0	2328	16239	0	0	0	6252	8210	8356	6484	7772	0	5145	6947	0	6516	1556	1255	0	0	2035	6432	4584	3480	23067	0	0	14794	1211	0	0	3284	3924	0	0	0	7229	5041	0	0	10552	819	0	9017	0	Unclassified	0.18181819	0.8181818	0.27272728
2	C8 H13 O2 N3 S1	216.08012	216.0805	0.01540969	216.08012	1761	2261	1683	1378	969	24278	1436	746	3511	780	940	5903	547	2119	2659	2375	5083	7845	6956	0	740	1986	1326	632	0	438	0	0	765	623	2345	897	4828	547	808	1096	5026	3126	5206	1254	2741	0	0	0	0	301	1073	0	1275	1131	1918	1589	12505	0	940	868	3812	967	0	292	2395	1662	0	963	8858	3325	4912	9456	879	691	1624	0	1018	740	2420	947	0	2221	783	0	790	0	0	389	1230	2561	434	10781	2976	0	0	1030	1869	698	0	0	1538	0	3409	458	408	7378	6162	604	605	3205	303	0	735	1209	Peptide	0.25	1.625	0.375
10	C9 H13 O5 N1	216.08665	216.08688	-0.17213103	216.08661	12151	14741	12602	11232	22047	20076	13071	17106	22358	3173	6299	14144	26172	14863	18115	16819	22381	28144	24106	7241	5279	9026	21500	15872	14361	1499	14346	6396	19197	15271	15239	16957	23940	16945	8135	16295	22961	11360	26735	2556	4864	18233	3783	2461	2554	9474	5681	2423	17868	11447	13932	15856	20653	3731	24439	11747	10432	23406	8277	7346	21695	0	17765	17249	11665	22552	17279	23826	0	2896	0	18339	13808	16188	13801	13603	2323	11606	16037	7753	12407	6989	8301	2670	13410	13790	16427	18576	19173	16355	10360	9706	24567	5027	4630	0	14091	15982	14948	13302	15663	22067	15124	10024	0	16533	21767	1482	14396	28809	Lipid	0.5555556	1.4444444	0.11111111
12	C10 H9 O1 N5	216.08798	216.0882	-0.09033809	216.08797	2524	1831	2536	1447	0	2743	2311	3880	5009	0	0	1202	0	26878	2284	4745	5276	2273	1836	0	0	0	1596	0	1431	0	1740	0	5907	3456	3237	5907	3144	6773	0	3057	6161	1352	6609	0	0	0	0	0	0	0	0	0	3734	5526	1361	0	1374	0	2442	0	1002	2985	0	0	0	0	3875	1405	1452	2146	3743	10781	0	0	0	3546	1695	1873	6987	5160	0	1807	0	0	2297	0	0	0	3865	0	2200	2846	0	5905	0	0	5233	0	0	0	0	0	1531	889	0	3215	1421	0	0	6892	0	0	2444	2560	Unclassified	0.1	0.9	0.5
16	C13 H13 O2 N1	216.1019	216.10216	-0.042045213	216.1019	10603	13379	10228	10414	13593	9303	8909	9675	4824	17330	21674	10665	0	6582	7873	16408	21400	8315	6964	20657	21834	15095	10301	17732	8811	15675	11100	23903	12654	12397	11581	12387	15523	13892	21726	11464	20104	8509	27711	22153	38241	11178	1465	1524	1608	10180	16615	2093	16542	11910	17153	16886	10596	1162	2587	2557	6274	23350	6483	15477	11717	9487	3592	6956	4548	7956	11703	23088	8250	13107	19017	12691	13779	7673	8924	16083	1405	6220	10685	23732	10509	9791	10112	15779	5539	3937	13661	16310	11499	34661	11761	14487	0	19792	27005	1984	10237	13646	6392	1813	3693	16202	10649	15991	0	22670	4759	1322	11494	5278	Phytochemical	0.15384616	1.0	0.07692308
10	C13 H13 O2 N1	216.1019	216.10217	-0.045585994	216.1019	12917	13797	12545	10519	9648	7666	8345	10340	7966	21181	16567	7800	5300	5184	5869	20364	14989	10293	9284	16541	23079	13174	7172	14713	8698	14226	11333	17529	8886	8035	8939	10131	19767	8215	17115	9534	11733	8385	20737	12405	18923	9164	1673	1274	951	11654	12224	1330	12658	9511	12498	11623	8950	1319	7075	3451	5642	13003	0	9737	14845	7301	8184	5924	4643	7356	8268	18671	11962	20140	21505	8933	6673	5933	13073	10731	964	6560	12828	6900	8803	8627	7028	7921	5526	5283	11499	13228	11751	33546	13841	7316	24871	12709	17043	1574	13250	11059	6389	6755	6148	12593	7541	7619	0	14999	4455	991	8331	8987	Phytochemical	0.15384616	1.0	0.07692308
8	C13 H13 O2 N1	216.1019	216.10219	-0.10888655	216.10188	27526	24340	18796	26852	22687	19509	13445	21945	17712	28150	27101	10766	12647	15408	12935	43497	28360	24064	36240	36260	31965	20945	16413	32922	21165	17029	19639	29005	19108	16223	23157	23623	34437	19238	29320	19724	38714	14817	35222	21664	25773	25250	1354	899	1051	21617	16859	1261	28471	19392	21909	23792	22951	897	15293	6285	14181	35399	3066	10574	30574	8622	15146	15981	12731	22750	26482	37222	9772	23590	19520	17560	17347	9375	22300	20452	836	12317	28018	17014	15282	6482	6520	16846	6842	9915	32551	29415	26861	72872	29139	8569	61653	13036	22317	1294	23977	22725	13483	9963	9838	32374	14778	10208	0	33616	12290	976	21080	19155	Phytochemical	0.15384616	1.0	0.07692308
6	C13 H13 O2 N1	216.1019	216.1022	-0.13987656	216.10187	51232	51382	42687	52021	36322	31299	33419	58747	27593	61082	43768	29084	20073	30251	29943	100144	58556	42026	56582	70990	64160	29877	34891	72565	43509	22322	39207	59854	56617	49317	45436	67724	75679	63101	60730	52993	85128	33457	83932	33474	47650	40544	2049	1050	794	37508	33934	1325	73259	46852	51678	50881	42755	991	23969	11542	18767	97891	4255	12807	88002	17194	21931	19512	15143	30389	47316	106155	11422	33354	31639	53246	49946	45779	57596	57138	854	25122	33397	22941	32224	11256	7523	34930	18794	16416	52398	54966	47480	125892	42386	11189	105042	20299	38617	1361	44246	41287	17788	13925	17062	74111	29527	16335	10193	80793	17425	996	37503	28083	Phytochemical	0.15384616	1.0	0.07692308
12	C13 H13 O2 N1	216.1019	216.10217	-0.048252344	216.1019	20443	21851	19732	25537	9708	12387	16843	17382	7790	32009	28817	11150	6336	5112	12251	53086	20937	12893	17622	32182	30778	35192	11657	46557	21979	20479	20547	17784	18769	29017	15843	22814	20060	20124	31822	14384	29641	13890	27556	21158	42281	14727	1246	1147	1038	11195	17365	1485	29620	24352	25519	27515	10539	831	8271	7048	7867	41585	7645	12875	31753	9970	8287	6639	7840	11593	10426	25106	0	22593	28401	17008	18957	16772	27022	21217	956	10026	16262	14943	14562	10890	12254	14985	4298	6200	23645	17507	12376	52714	31532	17938	63156	16874	42410	1422	22148	25401	8679	4923	4404	34331	12251	21590	0	32562	6934	1238	19904	10623	Phytochemical	0.15384616	1.0	0.07692308
14	C13 H13 O2 N1	216.1019	216.10217	-0.023341695	216.1019	26910	24654	23449	23602	11296	9203	16398	17240	8227	32433	24451	15502	6943	8052	12999	32636	20830	12275	12717	26400	24329	32185	7041	25384	16800	19128	19907	23869	17150	17331	20693	25133	25927	25440	24720	20355	30792	11884	29543	25604	36336	13944	0	1333	1338	10147	23204	1589	27397	14500	21270	25839	12103	1226	5956	5370	10722	29854	0	22452	30360	8064	6735	7511	8918	13321	12952	27974	13293	15898	31484	19858	19037	15906	20849	22063	1305	11430	16841	21787	12625	13390	17775	18198	8948	6407	16812	24118	17844	60723	32980	26238	37836	25426	40828	1665	21269	15311	7729	3703	8122	19470	14956	22885	0	27417	6264	1604	23515	11021	Phytochemical	0.15384616	1.0	0.07692308
2	C12 H13 O1 N3	216.11314	216.11348	-0.051512316	216.11313	5433	4406	4369	5108	720	0	4036	10201	557	8925	8203	3117	0	1402	4933	9789	10548	1735	1892	6560	8438	5954	4207	10084	6742	1620	3383	22669	7487	7478	11011	7567	5233	6302	7278	6205	6423	5084	11482	5061	4638	0	0	0	0	5475	6383	0	10440	6194	6194	4819	1370	0	410	0	1004	8772	310	1738	8151	1693	488	716	0	1860	2856	13139	740	2407	2062	7470	5993	5584	11583	6218	0	3707	7285	15844	6429	1868	1571	4159	693	801	6627	4831	2769	20073	5188	4414	18514	3844	4915	0	4523	6460	876	372	0	4272	4068	5182	2899	10262	273	0	6965	660	Unclassified	0.083333336	1.0833334	0.25
16	C10 H17 O4 N1	216.12303	216.12326	-0.02435318	216.12303	5528	7966	6169	7410	2738	8405	9681	8044	6191	1603	3202	10951	2568	14909	11943	10079	16882	6901	9640	0	0	2963	9470	9771	12112	0	9651	10343	14202	10907	7110	12630	11619	10531	0	10439	10167	11203	19125	0	0	7689	3641	3650	4907	1963	0	3469	8091	8550	5600	8560	5693	4030	4010	2119	7097	14338	2463	2258	13048	0	0	4738	11091	6288	14469	18355	0	0	0	7364	9215	13968	10425	8331	3650	9383	2854	7253	7508	2044	2880	0	5390	7876	10911	6581	15259	0	25835	16026	0	1302	2482	3895	3710	7469	6928	3939	5496	12354	11838	0	0	0	5860	3433	10915	2756	Lipid	0.4	1.7	0.1
10	C10 H17 O4 N1	216.12303	216.1233	-0.085921586	216.12302	79894	64754	65422	58493	295294	90199	97143	94316	63955	23973	26955	60207	118424	112574	86698	110606	118154	125835	99657	34206	29752	36902	65591	64035	100126	11826	99754	62164	120229	101947	70949	115923	94068	117307	28187	123536	95761	70639	118677	17187	12877	73005	12329	3649	3850	31386	22413	3262	92949	79341	69868	62962	155559	4853	86921	53959	41992	120863	26145	26272	110653	8031	57879	58872	62742	97462	81024	120066	7219	12213	10738	83411	99779	113649	94016	89998	3009	61562	53140	29540	51127	35163	59720	38934	75751	83033	97306	67642	85975	62490	86569	66131	80156	19214	25023	4610	74644	89515	72780	61847	72596	113267	63082	34675	24439	71334	182897	3585	86372	83567	Lipid	0.4	1.7	0.1
18	C10 H17 O4 N1	216.12303	216.12323	-0.040672123	216.12303	3723	3865	3702	4698	2182	2443	4291	4260	1327	0	1555	5650	0	3044	8161	3414	25341	2335	2982	0	0	0	3147	4082	4265	0	10784	4501	3533	4842	2093	2212	4007	6072	0	3271	4659	8027	32467	1602	0	4180	3199	3411	4389	0	0	3689	2671	2899	2851	4482	2992	3656	1760	0	5261	2304	0	1713	4033	0	0	2536	3250	4111	2644	38418	0	0	0	3359	3370	4004	25548	0	3440	4065	4195	2429	3236	0	2140	0	1958	3578	4002	3750	4950	6555	0	2645	5512	0	0	3500	3102	2061	2052	1474	2873	3229	5756	0	0	3793	1336	3059	6096	2159	Lipid	0.4	1.7	0.1
20	C10 H17 O4 N1	216.12303	216.12323	-0.02107429	216.12303	2779	3350	2792	2120	0	3094	8457	0	0	0	2019	5508	0	2304	5257	3972	34096	2808	1747	0	0	0	2026	3172	1457	0	9270	2953	2080	3111	2011	1680	1806	2747	0	2628	2193	5558	35204	0	0	0	2985	5106	4151	0	0	4540	3076	1334	2389	4179	0	2989	0	0	3254	1857	1148	2320	2187	0	0	0	1456	0	1607	34288	0	0	0	2268	2375	1781	33155	2399	3576	0	0	0	0	0	1270	0	0	2141	3665	2922	1458	1743	0	2761	3147	0	0	3594	1671	4419	1394	1281	1634	4448	7867	0	1480	2208	2086	4706	3917	0	Lipid	0.4	1.7	0.1
14	C10 H17 O4 N1	216.12303	216.12328	-0.045984406	216.12303	10759	12558	10193	12230	10402	20065	13833	14185	5945	2636	3232	8816	10403	27697	18436	17496	22002	16909	11208	1876	2631	0	22840	15674	17712	0	15025	10060	20501	13706	14973	22277	18069	23008	1888	19081	15817	14726	21642	1658	0	14510	5361	4194	4120	2381	0	4005	22940	13305	11724	11243	10255	6251	5454	5650	8430	27899	0	0	20092	0	7869	2448	13618	17933	16944	22221	0	1644	0	15260	17225	23415	19232	14904	2795	11362	12309	0	10484	2952	3801	1872	8476	7067	38453	14015	14421	21963	21147	12830	15332	0	4111	5579	10600	9784	8667	6744	9303	17675	11952	2533	0	15004	6361	4134	19204	9796	Lipid	0.4	1.7	0.1
12	C10 H17 O4 N1	216.12303	216.1233	-0.060302828	216.12302	22005	27425	32315	25297	27628	40503	50768	49106	19948	7655	11669	22322	33320	74769	30965	36685	61898	47568	44943	13426	10459	14894	33965	26353	34575	9477	33472	20642	66321	35442	52616	41573	40309	52146	10540	56332	34794	31197	49711	3901	6269	35934	6604	3609	4682	12435	6787	4337	48162	32411	27382	23171	31865	5736	20541	13358	16682	40932	7693	28702	48914	2148	25019	20156	48559	48941	45060	42225	0	3192	1847	40982	42344	52373	45041	40288	2891	31105	23380	0	17520	15751	45485	34654	21918	26008	37978	28375	34312	30984	36426	26795	28463	4892	9862	5198	32321	28295	20995	18012	27226	39808	30323	13685	0	29493	27373	4771	29774	22966	Lipid	0.4	1.7	0.1
2	C9 H17 O3 N3	216.13426	216.13461	-0.12522307	216.13425	33566	33453	29587	28373	19608	20127	23415	126082	12154	4310	7538	58639	15977	35932	172941	135624	87565	14474	17258	4882	6671	24413	53995	28361	52361	0	8515	43576	100228	40118	150436	27044	54975	53550	8644	34356	27888	148287	117383	4240	3665	18285	0	0	0	6414	4143	0	69935	30709	32225	32231	21024	0	11634	8608	17435	117661	2261	2783	122332	1782	11752	10169	15983	23792	29524	131568	6611	28657	6452	59080	65825	33092	36000	82405	0	60335	6309	21948	10171	2368	4784	4056	7373	12100	10873	21389	20135	53327	64633	35581	45001	10856	6050	0	32768	37687	7109	6820	7426	22398	49579	7650	2253	174682	10680	0	183060	18711	Peptide	0.33333334	1.8888888	0.33333334
6	C9 H17 O3 N3	216.13426	216.1345	-0.24652047	216.13422	1236	1441	552	1021	0	28446	1311	0	0	0	811	0	0	0	679	1075	1017	0	0	0	0	0	0	0	0	0	1723	0	0	0	0	0	0	0	0	0	0	603	0	0	0	2113	0	0	0	0	0	0	0	0	1108	770	0	0	0	0	0	0	0	0	0	0	0	0	0	1022	0	1044	0	0	0	651	0	0	0	0	0	0	0	0	0	0	0	0	0	0	639	0	0	2331	4827	3959	1671	760	0	0	0	663	0	0	0	0	0	0	0	742	0	0	479	0	Peptide	0.33333334	1.8888888	0.33333334
6	C14 H17 O1 N1	216.13829	216.13861	-0.04157578	216.13828	2614	3590	3574	3430	2088	2561	991	4077	695	13787	10379	1540	1196	3236	1350	4637	3348	1698	2815	13532	10977	1287	2054	5335	3277	6652	2488	12096	3863	2428	3616	5476	3902	5690	11217	4571	5437	1983	2504	3549	1084	3479	0	0	0	2680	2259	0	4905	3634	4836	4158	2771	0	871	0	1775	5376	0	0	5437	0	925	0	2386	7088	20937	6095	3302	8195	7836	5197	3384	3911	3202	4003	0	1435	1617	3394	2896	0	348	3800	570	0	1685	4918	4762	8827	5555	0	4080	4162	6656	0	4162	3931	1197	0	0	4792	1632	0	0	5640	670	0	2224	791	Phytochemical	0.071428575	1.2142857	0.071428575
22	C14 H17 O1 N1	216.13829	216.13852	-0.056462068	216.13828	2967	2179	3118	2844	0	1196	2265	0	0	8430	15773	0	0	0	0	2074	1414	0	0	4194	8516	3292	0	2043	0	44723	1533	17721	2077	1603	1670	0	0	2292	3319	1460	2182	0	2505	12772	18919	1125	0	0	0	8744	11443	0	2028	0	2754	2137	0	477	0	0	0	2558	2138	6563	2598	9346	0	0	0	0	1642	3357	25889	19370	24647	1726	0	1629	1113	1187	0	0	0	16719	0	7046	3459	10240	0	1260	0	1399	0	2044	2775	0	0	9574	6121	0	3146	4561	0	0	0	0	0	4350	5972	2040	0	0	1737	0	Phytochemical	0.071428575	1.2142857	0.071428575
18	C14 H17 O1 N1	216.13829	216.13858	0.021250052	216.13829	1867	0	0	0	0	0	0	0	0	6272	15708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1898	0	32795	0	0	0	0	0	0	0	0	0	0	2823	0	3535	0	580	0	0	0	2236	0	0	0	0	0	0	0	0	0	0	2663	0	1624	2067	1143	0	0	0	0	0	1688	0	1554	3376	0	0	0	0	0	0	0	0	0	0	6046	0	0	0	0	0	0	1351	3583	3723	2210	2289	2067	3774	0	0	0	0	0	0	1683	0	0	14635	0	0	0	0	0	Phytochemical	0.071428575	1.2142857	0.071428575
4	C14 H17 O1 N1	216.13829	216.13863	-0.12364425	216.13826	6575	7991	8391	7824	1497	2863	2592	6960	1237	34239	18875	3123	627	2431	2665	11383	7333	2737	4442	37892	42986	5217	2876	13059	4596	9201	4422	25104	5237	3614	5369	7147	6792	8085	41881	6529	6690	3622	6676	10398	3956	2787	0	0	0	4563	5939	0	7829	7511	8393	8093	2978	206	751	256	2022	11582	0	0	8909	4405	1932	1056	2035	3618	4921	10856	3668	7971	8922	7309	6538	5664	8288	4455	0	3555	5372	9788	5854	544	451	10225	491	1545	4504	4367	3848	14398	8288	0	13039	9122	21511	0	5779	6482	1140	418	0	5899	2905	5050	0	9683	417	0	4701	1156	Phytochemical	0.071428575	1.2142857	0.071428575
22	C11 H21 O1 N1 S1	216.14166	216.14189	-0.023847211	216.14166	0	0	0	0	0	0	0	0	0	0	1541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4868	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32261	0	163796	0	0	0	0	0	0	0	0	4597	0	0	2646	0	0	0	0	0	0	0	0	0	0	52094	0	0	0	0	0	Organosulfur	0.09090909	1.9090909	0.09090909
2	C7 H17 O1 N7	216.15674	216.15662	-1.0940294	216.1565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11162	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35894	0	0	0	0	0	0	0	0	0	0	9789	3242	0	1683	0	0	0	0	0	0	0	0	356	0	0	0	0	0	0	0	Unclassified	0.14285715	2.4285715	1.0
8	C11 H21 O3 N1	216.15942	216.1597	-0.028083134	216.15941	2890	3730	3123	2988	2256	844	5160	2386	968	1279	818	2372	2022	14844	666	1810	3448	804	2631	0	3078	2118	1373	1129	1495	815	4649	0	2706	4003	3413	1842	7529	2874	1979	2093	8667	1013	4332	2110	1454	0	553	0	0	1727	0	0	4111	1857	1546	3156	1209	0	1846	542	1254	2280	0	1896	0	0	3491	742	29774	2284	1405	3519	0	0	0	1690	2044	1694	4410	3927	0	1617	0	0	0	1440	1149	0	1446	0	2041	2666	875	3427	0	0	0	0	3261	0	1479	2328	1941	1691	0	6854	1881	2031	0	1764	1844	0	736	3726	Lipid	0.27272728	1.9090909	0.09090909
6	C11 H21 O3 N1	216.15942	216.15973	-0.07502041	216.15941	14282	13724	13113	13844	7421	3490	47953	24396	6079	5635	3561	20772	6578	4010	8009	12838	11731	6742	8865	6176	4906	6773	2641	4671	3484	651	49783	3708	19519	49911	44012	26656	60546	21425	6301	27109	53185	6372	22396	3566	4908	3753	0	0	0	4070	4536	0	24254	27727	13960	14427	4727	539	5429	4046	2052	13640	956	3092	13786	2198	7549	3673	3446	7660	3771	18383	0	2984	2423	45254	33961	37451	26176	41044	0	22015	4107	3812	2158	1852	2241	3033	4947	2534	6177	5485	5440	12876	12985	9897	8109	3550	5141	0	11357	12056	3740	4717	6609	57569	19423	5917	0	7985	5357	0	3203	8552	Lipid	0.27272728	1.9090909	0.09090909
12	C11 H21 O3 N1	216.15942	216.15968	-0.01156587	216.15942	1635	0	0	1983	1106	4091	2824	2314	0	0	0	0	1398	34243	2179	5021	8170	1630	0	0	1333	0	1916	2577	2658	1101	2379	0	4338	1580	2984	1909	3485	1975	0	2383	1826	1723	5255	0	0	4848	778	333	0	1747	0	0	1762	2739	0	0	1178	990	0	2700	2899	3446	0	0	0	0	2095	0	13869	3178	15077	6320	0	0	0	1620	2907	4012	4967	1923	0	1595	1432	0	0	3529	1565	22164	0	10436	3395	1362	1859	5201	2928	3045	2063	0	2579	0	1660	0	5705	0	1340	4815	1534	0	0	2319	1247	0	3324	1637	Lipid	0.27272728	1.9090909	0.09090909
2	C10 H21 O2 N3	216.17065	216.171	-0.11946698	216.17062	80294	78199	73893	74366	784	0	42087	334244	0	4125	5920	24091	1542	455	197476	99496	187396	3611	2888	3271	3346	10292	73964	47912	156965	0	31971	27666	158031	103804	216182	65331	92952	42071	3499	86039	105648	169940	198185	3187	2422	27704	0	0	0	12447	4578	0	130280	118807	72353	74638	2992	0	1267	269	3566	204133	627	587	93848	1567	577	1526	0	2594	66612	174652	6562	18239	4279	164134	204086	120089	41487	231577	0	28418	17871	4803	35781	1729	2550	3574	370	3072	20565	19113	19218	52098	27492	25093	29001	3101	5199	0	72595	73749	934	628	503	64162	21529	4729	1769	120817	244	0	350594	1710	Peptide	0.2	2.1	0.3
8	C15 H21 N1	216.17468	216.17494	-0.011400582	216.17467	7349	7363	5037	5083	0	0	2196	8674	0	1986	2781	7753	0	0	4805	19243	5715	0	2472	3848	2928	0	8813	24484	5043	711	3318	2941	7480	14724	13021	11595	9715	10615	3486	7390	11200	8842	5746	0	0	1364	0	0	0	1714	0	0	13355	9989	5329	4936	0	0	0	0	476	16163	0	0	18325	0	0	0	1717	0	0	16656	0	0	0	18435	12169	13081	13531	14129	0	9054	7830	0	12837	0	0	1140	0	0	3524	1916	3360	21895	0	0	21790	0	1326	0	6586	4916	0	0	0	7085	8680	0	0	15317	0	0	5201	0	Lipid	0.0	1.4	0.06666667
8	C12 H25 O2 N1	216.1958	216.19603	0.024087837	216.19582	2394	1139	0	1386	5603	856	1047	3191	833	0	0	0	1161	4725	739	0	0	0	0	0	0	0	0	0	790	0	1481	0	3695	13425	4699	3755	2089	3694	1093	5536	2220	685	0	1450	0	673	0	0	0	0	0	0	1776	3200	883	0	1415	0	0	1460	550	0	0	0	0	0	0	0	0	1505	840	0	0	0	0	6196	14207	11169	1516	22734	0	639	0	0	0	0	0	0	0	0	0	748	0	1114	0	0	0	0	0	0	1444	1305	2695	663	0	1817	727	0	0	0	2179	0	0	0	Lipid	0.16666667	2.0833333	0.083333336
4	C12 H25 O2 N1	216.1958	216.19614	-0.13118532	216.19577	6828	6291	8475	6000	2859	27060	71630	2199	2718	0	0	1113	356	48232	609	1263	0	618	5494	920	628	0	347	1485	60834	62706	68240	64209	2006	3583	2583	1695	2181	1546	1441	2150	1977	260	0	3470	1692	33628	0	0	13902	3976	0	0	2247	1667	7154	5863	1530	0	12097	511	1065	2175	0	0	1475	1037	354	7648	5291	1088	33136	0	1334	1971	0	2039	3820	4079	1394	4001	0	18421	3402	0	1919	0	63490	63481	22092	11239	1747	0	39660	0	2057	0	0	0	1624	0	7654	6302	776	0	0	1946	1099	1907	0	3090	62128	0	67183	0	Lipid	0.16666667	2.0833333	0.083333336
6	C12 H25 O2 N1	216.1958	216.19608	-0.11784691	216.19579	2775	5178	2648	4986	3077	867	5443	5561	33060	1676	0	2291	1226	3318	853	2672	1523	0	26844	0	0	1156	0	744	706	504	6730	0	1859	11126	8295	3092	5817	2489	708	5672	6633	971	2061	5850	3887	1557	0	0	0	0	0	0	1698	5286	2645	4190	969	0	17672	0	592	1964	0	0	4018	3012	1446	7905	1623	1572	2581	2360	0	0	0	8094	10553	12901	4412	9531	0	2206	980	0	0	0	1258	6182	83785	0	1991	0	1833	0	0	0	1200	0	0	0	2230	2249	825	617	0	4367	2022	0	0	0	40863	0	2340	0	Lipid	0.16666667	2.0833333	0.083333336
16	C10 H9 O4 Na1	217.04713	217.04741	0.17375797	217.04716	48705	56795	50863	49127	2037	0	0	0	0	0	0	0	0	0	0	0	7361	0	0	0	0	0	0	0	0	0	0	0	0	1268	2715	0	11081	0	3258	0	17813	0	10246	0	4015	0	10979	2359	784	0	7915	3127	0	0	58627	48997	3708	1161	0	0	0	0	0	10047	0	0	0	0	0	5555	0	18743	0	0	5046	0	0	0	3519	0	731	0	0	0	0	0	0	0	0	0	0	6569	0	1298622	0	0	880681	0	0	1205	48235	31457	0	0	0	5784	0	0	0	860658	0	886	0	0	Phytochemical	0.4	0.9	0.0
8	C12 H8 O4	217.04953	217.04985	-0.014282283	217.04953	20536	25390	13183	21214	33657	18479	13681	15516	42268	13458	17323	14123	44652	21315	15227	17148	15996	36719	48060	15784	15815	19892	21172	14660	9516	6342	10640	10009	13944	13192	11650	15652	20048	11416	25957	14176	18550	15657	18465	15269	17716	23732	6976	5889	9295	14622	13880	9153	13323	9231	18072	23431	29710	6124	38493	30236	24095	18862	10010	11889	14601	10690	48358	37385	18930	35717	19882	17761	11576	9942	14761	12510	12033	10760	11510	17268	6792	13275	21194	10762	22420	16324	11676	6686	32886	16053	19626	22330	26139	21415	10321	11851	16197	16660	12881	9540	19602	21512	37633	50400	37266	19885	17500	13760	11224	12735	29268	6442	14653	53405	Phytochemical	0.33333334	0.6666667	0.0
16	C12 H8 O4	217.04953	217.04979	-0.017663809	217.04953	39314	44277	33770	41782	70454	44361	33109	31813	66747	24139	30014	25218	72232	55382	36877	40680	34590	97881	97472	25174	29675	48225	44287	43977	33684	10807	30689	23437	42490	29675	35456	35304	57928	33804	37113	36759	52251	33165	36718	18517	16944	47132	8857	8766	11434	24719	14238	12048	39799	26524	40107	43246	57410	7846	62067	41408	43470	63258	16727	14358	46107	15035	80719	42737	32707	82362	56880	37412	12307	16962	16515	32788	29900	33707	25291	42696	7514	25042	40148	26720	32225	25185	16343	14836	61257	42973	58153	55044	60370	31930	29494	25144	43820	25267	30843	13408	35794	31119	48490	46973	56459	56567	31384	18151	14159	35383	41810	7750	32440	85478	Phytochemical	0.33333334	0.6666667	0.0
12	C12 H8 O4	217.04953	217.04982	0.005446702	217.04953	39606	53725	38684	42399	62603	43749	31419	28833	74528	28813	32635	27037	70349	42409	34244	56137	41094	99429	102584	29348	31769	50366	49505	38227	30861	11493	34273	17496	36537	28019	29201	37024	51315	35085	46629	33660	51883	34900	42971	23907	25298	46097	7737	7269	9083	27808	15755	11544	33650	24709	50251	46393	55378	7166	77555	40906	42809	51443	17891	13897	63669	17716	93162	57733	34101	78973	54924	45555	0	22041	19780	26261	27292	26807	42195	38161	5843	25553	51396	32092	41590	23629	19887	9556	57344	41644	61744	52393	56574	62590	32203	35903	54185	25542	32913	10328	56344	48190	50774	52955	53830	50765	35738	22683	0	37499	49829	7318	36941	95053	Phytochemical	0.33333334	0.6666667	0.0
10	C12 H8 O4	217.04953	217.04982	-0.038119737	217.04953	40241	40096	36253	40322	58405	37941	26775	28377	66385	27445	30158	31641	68797	39508	33502	48697	38988	117211	133444	21757	27009	44597	49290	32336	29097	9407	24964	19713	33468	29483	24997	32109	51877	33337	40329	37112	46177	36514	44027	17126	27210	43349	9912	6725	10782	22110	16312	11686	35319	25713	35213	40643	48726	7461	63651	45508	36353	55535	16016	14175	46950	14513	73846	58811	35439	78630	46296	42783	14953	13545	17540	27720	29726	21830	34751	36839	7800	24538	50794	23232	45517	22238	15082	9633	56721	45392	71896	61137	77508	50184	23436	22333	40702	29539	23765	11654	38863	38755	47183	53376	53854	47661	34999	20330	0	30998	47965	8332	36177	82287	Phytochemical	0.33333334	0.6666667	0.0
14	C12 H8 O4	217.04953	217.0498	-0.024792852	217.04953	59579	56252	40696	53458	80065	64231	44296	45953	77038	28066	38122	37385	98097	61723	50385	61674	52161	156837	128786	33318	33619	56698	58615	52112	51015	13214	42296	27663	46962	47386	35901	54422	72100	45594	54549	46182	62701	49836	61926	27400	16712	69891	8613	7295	8693	25368	17287	10510	47326	31694	51697	46120	72747	7214	85024	54700	51945	81177	25187	23790	54069	14879	94256	71680	48283	111837	79071	48829	14412	18954	22363	34536	46847	33627	46237	48738	6965	35083	57496	36230	53417	27808	22659	12717	66779	51836	86966	74803	99730	76091	53803	30378	64681	27237	36126	12480	51832	53837	56270	63758	68167	66489	43394	27270	0	52217	45782	8578	49606	94992	Phytochemical	0.33333334	0.6666667	0.0
18	C12 H8 O4	217.04953	217.04977	-0.020362465	217.04953	23446	31133	18036	19612	36893	30533	18011	21440	28983	15022	13481	14278	50215	32516	24355	25092	17256	62408	54196	17281	13103	27297	28905	33741	17615	7354	16328	13370	14031	17253	18789	23544	34598	20710	19916	19038	28066	20360	21394	13253	10576	28119	8223	5902	9402	19478	12351	9287	18150	14421	24759	23549	30027	5926	37821	22441	23764	31773	8567	9045	25690	8906	50962	28056	19693	50472	29773	14974	10932	15480	15635	20691	16864	15054	15296	22918	6105	15767	30924	17512	22587	14331	10102	6930	28986	26308	27648	31523	41034	21603	20298	16029	31006	12381	15818	11471	23083	23829	30739	30652	30311	23438	16849	9991	8003	19824	20755	7076	23676	52591	Phytochemical	0.33333334	0.6666667	0.0
12	C11 H8 O3 N2	217.06078	217.06104	0.06447928	217.06078	3185	5961	2597	3279	2667	2804	4592	3423	3989	0	0	2824	1110	2248	3162	8055	11237	3187	8463	0	0	5833	5849	8315	3672	0	4042	0	6759	3955	4002	3734	6733	5657	0	4182	4448	3320	10983	1187	0	3010	0	384	347	1607	0	771	6100	2584	3717	4629	3680	584	2850	1625	2338	8384	0	0	0	0	3902	2913	2712	2277	4674	12719	0	0	0	3029	4807	2960	4213	5849	341	3709	8456	0	5565	1649	3122	985	2400	2786	12375	8870	3377	31142	0	3931	13514	0	1278	653	3600	2349	0	1982	2344	5527	4385	0	0	10067	2155	707	7887	4099	Unclassified	0.27272728	0.72727275	0.18181819
6	C11 H8 O3 N2	217.06078	217.0611	-0.002055259	217.06076	8565	9881	9318	7852	4551	4152	6928	13622	4814	2851	2477	7450	2979	3973	9871	16681	11243	7422	9231	1735	1525	13531	9073	17394	7385	657	6072	0	10553	9065	11721	13967	15235	13508	3721	9482	13422	9918	20702	1926	1602	6795	0	385	350	2456	1657	447	17791	11061	9976	9572	5115	454	3907	1966	4478	16454	1320	1328	17060	0	6306	4318	3135	5820	6071	21171	0	1811	0	10677	9649	4620	7727	11914	291	6091	11376	0	9356	2319	1556	1076	4730	5079	12935	12038	8045	46422	0	2208	35807	993	2914	0	8117	5607	2155	2480	3439	13963	9917	1904	0	21222	2411	364	8911	7266	Unclassified	0.27272728	0.72727275	0.18181819
8	C11 H8 O3 N2	217.06078	217.06108	-0.02190916	217.06076	31071	38901	33361	30048	11666	14755	23536	66284	14502	3651	4697	32925	9904	11166	23942	92149	60612	20163	23103	2838	3334	24940	27937	42619	18836	0	24438	2600	53772	43906	52375	85493	59623	84353	6243	63230	52453	28321	91450	2873	4204	24419	467	405	532	7585	2066	615	83529	54254	25499	29976	13213	879	10574	2582	10953	89246	1726	3321	58072	0	16280	12363	13946	19821	28575	97662	0	4448	3381	67823	79087	34102	49322	70616	324	27728	26251	4540	17421	4761	2657	1400	9419	10650	35528	31225	30892	133917	0	0	63411	3156	2374	740	35279	26800	8132	5177	5583	47392	33322	2125	0	57532	5440	0	30392	20377	Unclassified	0.27272728	0.72727275	0.18181819
14	C11 H8 O3 N2	217.06078	217.061	0.022766912	217.06078	9612	4859	6508	7084	2832	2271	6380	7477	1953	0	0	5817	1660	3156	4588	23791	9719	4978	5909	1833	0	18968	6869	12791	7430	0	5963	0	5594	3823	5440	8689	4497	4902	0	4888	6586	4829	11386	0	0	5555	0	372	550	2322	0	806	8497	4977	6677	7434	2911	336	1603	0	2351	25609	0	0	18199	0	0	1474	2913	2077	5624	13410	0	1609	0	6506	5430	2814	8059	5077	327	3674	15236	0	9040	1249	1115	0	1723	0	18234	8852	8794	116317	2887	3558	45004	0	0	685	8853	4323	1795	963	0	6769	7434	0	0	24683	0	506	12637	0	Unclassified	0.27272728	0.72727275	0.18181819
6	C8 H12 O3 N2 S1	217.06413	217.06444	-0.028993068	217.06413	3342	3663	2647	3641	794	7233	3594	3128	2019	1478	0	1430	1060	2157	2293	7128	29779	6895	3326	0	0	2257	1421	3622	2117	0	4961	0	3255	3429	4340	4377	11921	7266	2500	4396	11678	1997	31929	0	974	2541	0	0	0	0	0	0	6628	2418	5256	3496	2788	0	1229	801	1323	5565	0	0	5736	0	613	0	1411	4086	4512	36393	0	0	0	4221	4358	2967	5396	3877	0	1321	1693	0	1969	483	403	0	1526	2718	3195	9675	4475	13543	0	1079	5026	0	0	0	3271	3997	1040	536	1033	10832	2507	0	0	7771	1000	0	2520	2565	Peptide	0.375	1.5	0.25
12	C9 H12 O6	217.07066	217.07094	0.030114964	217.07068	7876	9814	9089	9043	22299	15370	7002	8756	23588	3965	3003	6578	32213	21473	11054	7322	8505	29725	30588	1814	2504	5009	10573	5176	7031	1408	6024	0	8962	7504	9942	12002	18157	8178	4840	10443	13996	9805	7420	1921	0	15672	3211	3252	4198	3555	0	4067	7416	5220	6838	9457	23081	3781	28810	14414	13113	8909	0	0	0	0	36550	23772	12701	31381	23093	6618	0	1572	0	7173	10665	10035	6147	9654	2429	8239	7344	0	5552	3663	3278	2143	14664	10966	9645	12975	15739	0	0	8134	8243	3145	3943	3334	12291	9424	13225	17127	13763	13565	9328	3283	0	9661	16871	3676	4686	40084	Unclassified	0.6666667	1.3333334	0.0
10	C9 H12 O6	217.07066	217.07094	-0.025152912	217.07066	20225	17755	19854	18245	40065	32840	10603	16296	51511	6023	14690	11704	69441	43885	14840	13334	18455	54704	46650	7546	5104	6586	22628	10215	10941	0	11390	9259	21396	16248	17190	17569	29495	15902	5781	17440	24794	14777	15783	3771	3302	29839	4716	3584	4521	6012	2327	4995	13508	10842	20098	16373	38379	5023	54061	31850	14459	19681	6171	5130	18500	0	59310	37245	23521	64268	38952	17593	0	4319	2323	16581	15727	18562	12335	14336	3523	14083	10872	15869	10308	4407	6157	2110	31027	24446	13657	24191	31546	7624	7045	11955	8171	6714	3042	4981	19375	22128	30798	26458	32863	28138	16946	4110	0	12248	26672	4289	7645	64953	Unclassified	0.6666667	1.3333334	0.0
6	C9 H12 O6	217.07066	217.07098	-0.061583113	217.07065	15971	22497	13180	17214	39900	24613	12177	16734	35477	5810	10599	10550	72744	34500	11717	13862	12864	51784	47402	7316	5348	8302	14931	10862	8036	1489	8645	7033	19093	13607	15571	19902	26466	24709	9279	16066	23636	10976	18699	2619	2940	25983	3426	1435	3188	6422	2658	2129	15214	12624	17842	17468	31423	3122	33143	27849	16177	16809	5115	4009	15564	1642	62839	27138	15673	60427	33198	16508	3770	4259	3302	20710	21938	20945	9721	15253	1838	10401	8939	7315	9816	5059	4886	2984	33416	16493	11997	28816	27016	7880	9451	13467	12240	5525	4111	2267	18262	17975	21446	31456	40137	23732	11809	6895	0	14842	28801	1922	7064	60584	Unclassified	0.6666667	1.3333334	0.0
8	C9 H12 O6	217.07066	217.07095	-0.040659394	217.07065	20936	27663	19950	23860	69604	46804	10167	19276	66161	5894	10319	13936	170285	63687	20955	16531	13986	74752	83442	11889	6418	7886	28527	13365	12650	2501	10468	8804	25866	18745	22555	22404	27815	22834	14091	19344	27533	13682	15465	5219	2211	43341	4405	2382	4168	6498	2850	3339	19200	13666	22827	22363	51955	4333	73000	40350	24544	15560	5179	5090	23264	2403	125161	51937	28945	113313	48742	17666	0	4532	0	21196	23510	22263	13607	19776	2691	16513	13622	8256	12422	6672	7463	2644	40848	23883	16359	34311	43680	10314	11616	22321	16612	6144	4151	4006	26269	25408	38717	43207	44195	28202	14990	7145	0	17085	41072	2772	9547	106829	Unclassified	0.6666667	1.3333334	0.0
14	C9 H12 O6	217.07066	217.0709	0.026223244	217.07066	6442	5902	6369	5521	10169	10356	6526	4709	19429	2130	0	3604	20148	8290	4464	3943	6661	15813	14259	0	2198	0	6073	2744	4986	0	4288	0	6185	4549	5384	0	8116	4341	3835	8854	11558	6572	3538	1431	0	7709	0	2777	3708	2161	0	3659	4119	6657	4615	2721	8073	2734	17343	11833	6560	4669	0	0	0	0	15649	14744	7649	11710	5526	5052	0	0	0	3848	6934	8193	2714	5851	3259	5779	3666	0	4966	3306	3687	2234	8441	6612	6736	6482	11422	6056	3165	3063	7337	0	2296	2961	3272	4396	6944	7445	10275	5590	8353	0	0	4637	7354	2875	4060	16925	Unclassified	0.6666667	1.3333334	0.0
4	C9 H12 O6	217.07066	217.07103	-0.03860225	217.07066	9014	11505	7019	9168	18238	13400	6007	8454	16261	2833	5496	5306	38428	15714	5759	5730	7143	27020	21933	4555	3662	6314	7118	7635	4785	2012	4882	0	8208	7309	8053	7576	13986	10349	7600	8571	13014	4877	8365	3286	1963	12391	2735	1885	3605	5461	3423	2804	8873	7326	9313	6879	13657	2974	18159	16293	8027	9709	3244	2470	9171	1537	34141	14238	9204	28676	10738	7275	3269	1606	2570	10315	10762	10332	3095	7679	1697	7562	5805	5254	6571	4687	3702	2089	16843	10170	6705	12220	11639	4977	9746	6970	6287	3559	3228	5598	7376	10586	13199	23298	23728	10631	6016	4991	3750	7509	13029	2460	4195	34114	Unclassified	0.6666667	1.3333334	0.0
2	C8 H12 O5 N2	217.0819	217.08228	0.016973717	217.08191	15146	15610	14261	13437	18998	20506	4812	9789	12851	1945	5525	6991	24007	10692	5533	1742	8776	22648	15317	1814	3938	7882	7562	7772	3812	653	0	3176	35796	5472	9670	13233	16151	15485	13301	8839	14436	5416	9368	2993	1826	9715	5034	0	584	2303	1330	38176	38681	4613	15337	15860	14455	1585	14620	8562	5470	12909	5477	3001	4050	8723	22856	16138	4660	23470	13726	10374	0	8691	2777	12665	10717	8032	664	8619	375	6044	5170	14553	376442	6541	12547	742	19140	6694	7468	30460	15839	15534	8871	5205	13275	3942	413	646	14304	14551	13222	28736	242029	12284	12427	2105	1491	14642	9487	36647	4207	26370	Peptide	0.625	1.5	0.25
0	C8 H12 O5 N2	217.0819	217.08223	-0.26002452	217.08185	6549	8228	4751	6462	13348	17653	0	12564	6835	1791	0	3070	16777	12423	2925	0	3514	20265	13524	1900	4941	11349	6348	7796	6304	0	0	1614	20452	0	13530	10275	36159	14726	4008	6819	16265	1904	5487	1730	0	12103	0	0	0	4029	0	271	11009	3836	6247	4136	14264	416	6390	3102	0	19702	1189	1093	4701	0	22445	7394	2768	17065	26905	4207	271	1808	0	12315	13426	7000	0	8867	0	5400	4117	4916	2592	636	0	0	3115	2497	4587	14306	18422	7231	26266	10280	15091	1431	0	0	6901	5161	2396	1205	1759	9591	3718	2142	0	17631	1739	0	2990	36281	Peptide	0.625	1.5	0.25
14	C13 H12 O3	217.08592	217.0862	-0.048532166	217.0859	329922	354500	284630	313169	376212	281152	256199	314437	397624	312880	242734	220140	406464	243394	269913	326248	292861	511305	480851	376535	382930	344611	251150	242386	260923	218484	263930	233019	296656	283886	254465	328381	433994	262177	459556	298078	364403	236139	319201	311553	248991	284881	45960	32031	32520	203778	220766	42568	307188	233007	293584	287553	349182	29195	434210	277840	256182	403269	218007	207598	289245	187126	409255	345313	217261	406530	308498	299729	178432	321588	297222	228178	242987	261633	250997	309286	28613	209030	325767	231804	276915	226706	247509	231291	352998	239978	386258	284770	362526	403874	308660	262813	358122	213138	286829	46600	305587	320851	321737	391321	366863	340079	237736	308419	154726	264270	284437	32977	264002	354362	Phytochemical	0.23076923	0.9230769	0.0
16	C13 H12 O3	217.08592	217.08617	-0.051000774	217.0859	304169	337454	280986	307846	357348	288329	246995	297753	354377	293652	207133	210363	409938	284283	271355	354005	314664	480768	519181	368612	333123	298537	283737	306508	217808	180088	229670	197681	309680	289521	293510	361769	427737	280550	377327	299716	409411	234873	342116	286958	230021	281388	41473	34524	41225	215616	191946	42061	374381	256665	323154	311025	335757	33638	354900	276628	241205	425835	198872	192420	319300	169361	375829	308822	185359	451169	339710	274838	160821	251736	221603	281068	302068	291614	273264	355768	35321	205163	310283	224434	243022	215704	221368	193757	323558	232495	333808	305508	351089	384414	296598	298466	341287	200434	274349	50587	289738	305559	288442	322317	379239	399239	205088	250325	136589	297450	278349	32594	249999	430818	Phytochemical	0.23076923	0.9230769	0.0
12	C13 H12 O3	217.08592	217.0862	-0.055701334	217.0859	267910	348742	276581	294269	292491	208111	243121	251227	299465	273674	235093	160181	246499	170862	201017	324212	257380	376580	410911	340345	325249	322123	220618	229699	186121	212113	254298	184646	286069	263157	250116	301780	355287	244150	394465	253363	327604	219532	311474	267305	268947	221561	31277	30637	34677	227090	219115	42331	359939	210691	293699	324728	288377	25319	380344	212857	205274	321035	187123	192837	311183	177062	352450	285904	154335	319743	215244	284612	235208	306102	310337	196644	253477	229836	259324	308525	21262	206368	251532	168984	247378	210049	220733	183367	265568	192531	281950	206775	285441	331601	274871	267283	291289	183810	262451	43936	304300	291261	266344	273435	257596	304929	218380	236768	136309	228267	242503	30419	201166	334024	Phytochemical	0.23076923	0.9230769	0.0
10	C13 H12 O3	217.08592	217.0862	-0.060225584	217.0859	217646	220990	165823	175707	201249	146738	167731	191960	219008	213945	161983	147695	214165	135097	157898	223682	197015	273024	275683	237435	252271	215896	159678	183442	138085	167272	165337	139956	187395	177547	177999	195203	257556	158103	277849	188630	225844	158046	233671	204250	226515	172039	41915	30912	36545	158557	152700	43316	200801	155056	198407	210787	176173	28771	285260	193108	124852	255901	153866	166203	242529	121059	194795	219928	115383	223155	145763	218782	183943	218125	250486	148584	169914	166037	180109	191638	34094	124320	205638	128551	189580	161822	165077	129161	231672	165470	209890	167119	180944	230280	167581	174835	214103	164674	196259	39121	193499	211984	208327	226616	236645	220320	169567	188479	105838	162450	189605	34525	139038	233136	Phytochemical	0.23076923	0.9230769	0.0
18	C8 H17 O3 S1 Na1	217.08688	217.08699	0.27751055	217.08694	265665	282090	239405	230757	317041	265622	208463	269027	240190	228554	167768	173988	357912	252678	230163	318548	235486	451509	457661	267599	228536	261286	232410	271275	193300	134113	182909	175005	274310	227541	237831	272141	374193	290313	255770	252642	403385	197420	252981	214131	158597	262872	45739	28880	41629	179036	143397	39323	288206	204747	253354	263277	286260	33062	332483	218854	184993	366920	155127	133983	279847	126945	345732	256641	183332	423830	329898	259125	127725	176964	173353	224459	208869	242656	218531	281006	31381	176738	267724	183879	221969	167925	146865	124717	255497	242684	275341	294285	323209	284500	291950	254149	309007	132170	211541	53820	262595	255256	233875	247298	247203	333699	185665	222035	102791	214027	178101	32236	219931	345912	Organosulfur	0.375	2.125	0.0
12	C12 H12 O2 N2	217.09715	217.09749	-0.028322233	217.09715	21034	28409	28288	28906	9932	10329	39161	28372	5183	19374	23982	15060	4743	7748	13547	52131	41012	14311	19447	22464	23092	32424	17845	41730	22702	12096	43896	13981	23794	25495	26234	31716	32470	29129	21339	25025	30380	22920	55731	19514	28695	17894	1284	1003	1042	13323	22395	1402	32741	24986	23584	28348	12804	1287	6131	5446	9135	44980	5313	17058	31964	7254	9657	4866	7570	10560	12819	56149	0	12537	14243	26079	23665	21794	65356	27071	0	14223	27976	21692	26367	12322	13097	15637	5052	9243	29527	23943	16696	117249	28981	22878	67594	17694	31971	1786	26670	29264	7033	5347	4589	34374	17257	14436	0	37484	7138	1143	36423	9119	Peptide	0.16666667	1.0	0.16666667
6	C12 H12 O2 N2	217.09715	217.0976	-0.06059025	217.09714	34297	39585	32398	35090	21658	18700	33975	40428	17358	74646	56304	23447	16058	16774	25765	48294	44003	27847	34064	63732	66322	32510	27597	46857	32337	43025	29124	69801	33947	28893	44725	31910	50366	32491	69012	30251	52835	28584	64195	36518	55492	20303	1524	904	821	30526	38894	916	43493	29374	37303	36946	21580	722	19166	8801	15244	49859	5307	15790	52352	21692	19696	14024	10369	21126	27161	65351	28079	53430	64772	34218	27112	22550	26207	25409	635	20797	35150	20047	32912	14364	9976	38367	14486	15280	39099	30726	26256	107202	39877	21334	77461	23499	37523	1122	35785	33571	11202	9808	14145	48161	26439	16784	13907	50014	10814	1001	34844	16597	Peptide	0.16666667	1.0	0.16666667
8	C12 H12 O2 N2	217.09715	217.09756	-0.054860108	217.09714	124520	128240	0	116736	178804	128248	82168	68458	213395	87504	79238	50470	109544	65038	48950	123014	93072	927224	1126486	72216	81406	83424	60610	130398	85040	37224	88470	104140	44448	38004	52626	64988	135878	52110	96940	45468	122928	44636	118052	48112	86396	53900	2930	1814	1742	56656	64414	2204	60804	55886	128520	127658	116546	3132	94434	53610	37170	91328	19800	41322	90782	28166	349026	77902	78386	87518	55640	121310	30862	50824	53246	48670	46606	24862	59516	51464	1566	38310	167994	113668	110644	30984	29294	41998	2086518	301116	113998	117268	119382	290770	108748	53856	243190	48238	69518	2622	130902	120056	142708	103664	110574	98044	38912	40836	16004	142778	145644	2104	99268	538713	Peptide	0.16666667	1.0	0.16666667
2	C12 H12 O2 N2	217.09715	217.09746	-0.06235258	217.09714	29521	26574	23516	27231	14195	16016	17846	30894	13160	69461	59375	17070	10158	16736	21393	31291	29152	20133	22951	62277	67886	34719	20216	33961	29271	16081	12441	77243	30972	21121	24681	21628	34003	22398	62683	25973	26159	18778	30139	37681	38018	15025	1071	823	865	20040	31391	985	30976	21946	22785	26296	16381	803	12133	6634	9874	34179	4237	9091	24613	16584	11311	11461	8788	15070	19797	34806	10598	25581	20387	19156	24071	15994	26367	24198	604	17596	43412	45297	23679	12107	8048	22647	8707	11943	27119	24547	21012	79236	28237	21010	66862	36515	44716	1406	26018	27286	16251	7579	8518	26625	15610	17641	15723	33977	8820	997	30440	11769	Peptide	0.16666667	1.0	0.16666667
10	C12 H12 O2 N2	217.09715	217.0975	-0.054545946	217.09714	42291	38497	33742	39390	15697	16181	30483	57537	9182	30420	25740	28689	8571	10915	25105	104861	70890	23412	33963	29743	32808	48430	36240	87719	42910	15854	44142	27407	38658	38973	33811	42354	61554	43152	28887	37581	60277	26994	86773	26448	33215	26429	1815	1230	1111	28257	22537	1941	55348	36498	36644	33111	23709	1244	11931	4966	11877	74939	10298	22281	81260	9229	11314	9525	11530	17925	22506	93222	11173	21280	17934	40278	36836	25651	51119	38228	1476	23427	45250	26166	36799	12822	14502	14242	22572	17248	51224	40352	30659	146984	38684	31110	110389	29751	41779	1717	40177	38618	7787	9572	5841	63081	31955	27559	0	77197	8827	1273	54000	17839	Peptide	0.16666667	1.0	0.16666667
14	C12 H12 O2 N2	217.09715	217.09744	-0.001557735	217.09715	13695	16347	17021	13725	5251	6344	17009	18727	3311	6025	16865	12083	2948	4420	12052	24034	31643	7414	9190	10230	10908	21207	10696	21037	13987	3205	17707	14136	16325	15943	15972	24705	23799	20133	12416	14131	21335	11626	30455	10966	10087	12877	0	1437	1127	9765	10898	1494	25224	14187	12638	15096	9507	1003	2821	1668	7561	32961	0	11677	18804	4321	3993	5136	3175	5816	8035	32954	0	3940	11654	22758	16627	9235	19280	17035	772	11686	17120	21094	13510	8225	7086	6624	2335	4601	25798	20344	16138	67950	15773	12050	35149	7872	13515	1903	16655	14575	2157	2038	1566	18894	12438	8744	0	29257	2536	1205	22148	4312	Peptide	0.16666667	1.0	0.16666667
0	C12 H12 O2 N2	217.09715	217.09756	-0.22620834	217.0971	6139	5424	5620	5080	2038	0	3138	15408	1699	4503	5552	3260	1915	0	7170	4301	4317	4110	3938	4865	5236	7008	3756	10762	6487	1831	7585	11253	16755	8776	9266	12612	14149	14700	5743	16802	14980	2994	4797	2510	2118	3987	0	972	997	4052	1735	1053	16327	11958	7262	7826	3267	741	2158	1304	2217	22699	1260	1087	8040	1524	0	2440	2522	2648	7507	4966	1363	2673	1274	15138	15683	8143	14180	14586	675	4452	3556	4684	2780	1758	2682	1541	780	2404	3174	4948	6122	3899	3387	2589	16994	2643	2546	1252	5767	5925	1355	1348	1095	10863	2650	3875	1816	17026	1628	856	4800	1866	Peptide	0.16666667	1.0	0.16666667
4	C12 H12 O2 N2	217.09715	217.09764	-0.005418235	217.09715	40567	46383	44268	43109	30802	24314	30850	36633	23616	99536	80972	24788	19813	23587	24434	49185	66422	39000	48560	92341	124260	49973	30789	54723	36807	32561	34309	105250	31561	22714	29656	33627	53219	31269	108964	25828	45837	25754	72038	68974	89321	35105	1611	1011	808	46039	66266	1276	37346	29262	45865	34184	36120	935	23630	11846	21121	51369	4633	13500	48874	36958	22608	19435	14426	24448	25596	78898	21926	37718	54192	24563	21715	16941	48172	25966	549	23172	53025	66148	43387	22248	11354	54125	20532	19796	54121	49790	34506	125356	45493	23378	94779	49818	67385	2444	38326	50220	20696	17217	17936	50899	23991	29664	31777	49649	19291	1374	48789	22985	Peptide	0.16666667	1.0	0.16666667
20	C12 H12 O2 N2	217.09715	217.09738	-0.03165276	217.09715	4805	4397	3419	3390	4599	16867	5304	10234	3150	0	0	3635	0	10703	3504	7837	8414	9718	7064	0	0	1526	4636	9064	6063	0	2962	0	10249	8288	10576	7818	10473	10700	0	5672	36038	0	7008	0	2942	7880	1217	2179	982	0	0	2010	13544	5647	6101	6247	7150	1313	3140	0	2908	11389	0	992	11155	0	1990	4948	2368	8915	8044	11223	0	0	0	11237	7806	5537	6076	7638	1081	5683	10905	2737	6913	0	0	0	1303	1344	9414	5778	9669	15493	5341	0	10950	0	0	1588	4468	5181	1433	1240	1585	5789	4447	1903	0	11895	2062	1643	6758	4467	Peptide	0.16666667	1.0	0.16666667
2	C9 H16 O2 N2 S1	217.10052	217.10085	-0.11964205	217.1005	9415	11197	9689	11565	2850	0	5097	21733	1168	2659	1122	8462	1410	621	8392	1679	17142	5922	6561	1787	1520	14247	11051	35189	11520	0	0	1201	15848	12397	13104	16820	24401	18154	3754	14597	17726	8118	24447	867	633	12440	0	0	0	5308	1456	0	24135	18772	14725	11431	7891	0	1094	0	3091	29977	617	1286	2006	0	920	1301	2448	4284	9362	27930	0	585	0	13734	11262	4568	1439	13056	0	5310	8127	0	7115	1045	1541	363	706	2490	6619	9817	13087	28621	2568	2371	40157	993	482	0	9878	11702	1029	0	0	23873	8285	5757	1035	34446	730	0	10807	2567	Peptide	0.22222222	1.7777778	0.22222222
18	C14 H16 S1	217.10455	217.10466	-0.44269767	217.10445	0	0	0	0	0	0	1929	0	0	0	0	0	0	0	0	0	1721	0	0	0	0	0	0	0	0	0	2647	0	0	0	0	0	0	0	0	0	0	1296	3563	0	0	0	3480	5141	3720	0	0	3342	0	0	0	0	0	3333	1995	0	1818	0	0	0	0	0	0	0	9565	0	0	3378	0	0	0	0	0	0	2671	0	3705	0	0	0	0	0	0	0	27088	4929	0	0	0	0	0	0	0	0	0	4295	0	0	2364	5446	7697	0	0	0	0	0	4877	4142	0	0	Organosulfur	0.0	1.1428572	0.0
4	C9 H13 O1 N4 Na1	217.10599	217.10628	-0.20339796	217.10594	0	0	1205	1320	0	0	0	0	0	9294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11144	0	0	0	0	0	0	0	736	0	0	0	0	0	0	0	0	0	0	21838	0	0	0	0	2995	0	0	0	0	0	20718	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6884	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.11111111	1.4444444	0.44444445
24	C11 H12 O1 N4	217.10838	217.10858	0.02456116	217.1084	1663	2435	3453	2129	0	23212	0	4724	0	0	0	4875	0	0	0	14289	6187	0	0	0	0	0	0	2343	0	0	0	0	0	7159	9252	9317	6842	6467	0	10098	5287	0	8940	0	0	2591	0	0	0	0	0	0	6000	4166	1958	2527	0	0	0	0	0	7610	0	0	8005	0	0	0	0	0	0	10302	0	0	0	4761	9926	7448	10603	10510	0	2530	0	0	0	0	0	0	0	0	0	0	0	4452	0	2408	0	0	0	0	2303	2203	0	0	0	0	3890	0	0	3716	0	0	1162	0	Unclassified	0.09090909	1.0909091	0.36363637
2	C9 H16 O4 N2	217.11829	217.11864	-0.07912441	217.11827	15297	17524	14190	14188	17303	21873	8292	19067	16548	4326	7061	14204	20433	10634	12149	11104	23207	25716	20605	4280	4774	14774	13922	19902	7971	0	4539	41573	20657	14841	19808	18882	26102	18457	8486	18041	20981	11891	22155	2257	1800	16564	609	0	0	5731	2646	0	18401	10844	16265	16775	20635	0	16782	13295	11441	25221	4220	5548	12573	588	20341	13490	12669	26657	18942	25444	0	1963	1069	17828	17809	20164	5618	17961	0	8614	8946	123182	7917	3133	2978	744	13077	15234	11315	26731	21801	17810	52941	28073	28238	12461	3600	0	16191	16266	15929	11498	14243	19556	12526	7681	2211	23922	12987	0	10408	32856	Peptide	0.44444445	1.7777778	0.22222222
8	C9 H16 O4 N2	217.11829	217.11856	-0.022238746	217.11829	14305	14480	13980	17023	1670	4334	17551	41023	1786	800	1656	15467	1630	2061	38325	117732	46009	4715	5948	0	0	2407	12476	32456	25465	0	17232	5942	24842	21520	38282	15039	20043	13388	4063	17179	17921	45598	54351	0	0	5434	0	0	0	3960	0	0	78242	21785	13314	14701	4525	298	2612	501	4191	85582	2693	1309	87791	0	1199	1912	5755	3596	5296	49344	0	4064	0	26386	16072	9658	14549	17320	0	14838	2069	32607	4185	1637	22789	0	1529	5230	2487	7069	8844	4167	61159	23706	6227	3546	1451	0	14332	14797	1648	862	1867	21051	15605	2853	0	66060	0	0	58267	2912	Peptide	0.44444445	1.7777778	0.22222222
14	C9 H16 O4 N2	217.11829	217.11845	0.044362742	217.11829	0	1789	0	0	0	3427	0	0	0	0	0	0	0	56378	0	0	0	0	0	0	0	0	0	0	0	0	1247	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5747	0	0	0	0	0	0	0	0	0	0	0	0	0	6496	3895	0	0	0	0	0	0	0	16972	0	9065	0	0	0	0	0	0	0	0	0	239	0	0	0	0	0	0	0	0	0	0	0	1758	0	10262	2549	0	0	0	0	0	0	7011	0	0	0	0	0	0	0	0	464	0	0	Peptide	0.44444445	1.7777778	0.22222222
4	C9 H16 O4 N2	217.11829	217.11862	-0.072344705	217.11827	15827	17512	18534	19650	11826	12871	10292	19871	11389	5373	5976	11718	13772	7707	8413	26640	34519	20215	14881	8165	5748	11707	8761	17425	8725	0	12363	19885	22547	18174	22232	25728	28414	25486	7937	24291	26706	9683	39650	5701	4443	17615	968	270	0	7513	5873	0	24728	21873	19160	14131	13015	443	15199	5270	9261	25847	5914	10498	21577	1418	11839	9718	8325	13638	13883	29541	0	1976	0	25493	26490	26621	14089	18618	0	12045	8707	103832	7926	4420	6388	2535	7423	11428	9197	18648	17028	14096	111325	33646	18749	11731	6757	541	16959	18180	9632	6895	7310	20039	11242	11628	4295	18701	10399	0	9495	17927	Peptide	0.44444445	1.7777778	0.22222222
6	C9 H16 O4 N2	217.11829	217.1186	-0.023224836	217.11827	4742	10406	7529	8469	5498	11747	4858	6058	6141	2635	2813	4192	4831	3392	5799	8305	8100	7297	6744	1321	1562	4085	4565	6444	3191	0	4975	19271	6344	5823	6325	7783	9994	8311	2451	7051	9089	4500	7234	0	1439	34715	0	0	245	2297	2092	300	6327	6481	8102	7627	5917	414	7339	2696	11268	6009	2391	1997	5817	0	3456	3098	4185	6197	22833	10017	0	0	0	7064	6730	10135	3270	6436	0	4910	3654	80031	2874	1825	2336	0	4385	7427	6305	6577	8658	8899	102678	33867	9963	10725	2421	333	9073	7429	3921	2848	4669	6812	4656	3844	0	6504	5768	463	4395	7153	Peptide	0.44444445	1.7777778	0.22222222
10	C9 H16 O4 N2	217.11829	217.11852	-0.02727612	217.11827	1188	1237	0	1134	0	1348	1189	1248	1101	0	0	0	0	0	1811	0	1499	0	0	0	0	0	1091	0	1171	0	1332	0	1330	0	1245	1580	0	0	0	0	0	797	1943	0	0	0	0	0	0	0	0	0	1692	1155	0	1358	0	0	0	0	0	0	0	0	0	0	0	1088	0	1125	0	1681	0	0	0	0	0	0	1150	0	0	1080	0	22508	1172	0	0	0	0	0	0	990	1096	2569	33708	8352	0	1732	0	0	0	0	0	0	0	1648	0	0	0	1571	0	0	0	0	Peptide	0.44444445	1.7777778	0.22222222
24	C14 H16 O2	217.1223	217.12253	-0.04259406	217.1223	318748	356969	286374	310979	454053	311366	260844	900271	278306	210909	202187	285601	294885	430188	1002578	349028	270377	327403	440796	242164	220020	256158	253216	276567	249196	176054	254970	220831	333408	274006	317349	345745	374770	298752	252605	475272	387504	931135	329553	210738	197654	308305	186747	165186	65726	185515	141863	186371	429429	262730	314743	316055	384370	54988	253076	208765	258342	419141	244884	226317	339108	166841	251587	257832	243652	381652	460247	309505	158996	207579	230075	331917	295288	252219	206388	382653	59537	291591	323737	162406	291921	198592	235859	202234	268068	204388	351283	463361	396253	381230	319582	276177	393254	199230	204049	202890	317155	288478	373435	289954	278244	351126	284573	248890	156461	324820	209162	207905	331135	254432	Phytochemical	0.14285715	1.1428572	0.0
20	C14 H16 O2	217.1223	217.12253	-0.07778213	217.12228	645198	738637	643199	554401	808894	580470	654892	716222	549585	591789	422874	471473	716794	717109	616186	847363	803788	775101	870848	757805	712116	658827	493969	663944	520651	446366	772625	499273	772691	678562	580389	736451	831065	686275	658997	693960	868631	484582	760602	471348	455695	594208	97851	69569	43586	435569	458272	77216	757203	524940	670877	700778	688291	54120	568040	566624	490795	918805	434417	534751	745620	283585	626590	534021	490073	737948	649323	786779	280327	408338	436366	562519	672796	672103	768111	722106	46145	457113	616936	522685	459634	364465	617230	679760	643687	479746	764662	621310	663754	1017148	861791	739801	916700	433805	519074	78529	645443	669054	616572	741068	797260	855301	504170	666126	351705	680998	566922	70859	547815	692563	Phytochemical	0.14285715	1.1428572	0.0
18	C14 H16 O2	217.1223	217.12254	-0.075962946	217.12228	720081	757490	608180	627546	694092	517718	664404	728299	459426	690315	520338	456170	734595	565185	563538	932675	827941	806781	865020	837573	796065	698833	560891	680288	474452	470833	652116	505707	714821	671762	656675	741294	927695	725338	673726	699600	892077	524320	914880	569221	558730	565416	59375	37697	41129	449939	468115	50330	810215	582763	677539	684184	603290	34214	669186	563170	487969	983022	398401	541893	769354	361648	686661	527190	415427	716945	631137	944956	383393	514658	550180	566809	550076	659959	786490	741536	34710	425279	717320	499698	539913	410227	542564	499946	678836	550730	782729	654018	674116	1009333	899172	795934	917815	426150	647409	53639	678158	650862	557508	722984	792428	889804	471061	676542	264766	593027	475051	48446	590363	608691	Phytochemical	0.14285715	1.1428572	0.0
0	C11 H20 O2 S1	217.12567	217.12604	-0.18382002	217.12564	4243	4474	3684	4736	0	14673	0	15273	0	0	0	5712	0	0	0	6046	4936	0	4023	0	0	4886	1468	2736	0	0	0	0	7183	33716	12462	4892	0	11286	0	8550	4409	1291	5845	0	0	2000	0	0	0	0	0	0	47464	23692	3736	4104	0	0	0	0	0	10227	0	0	14318	0	0	0	0	0	0	4457	0	0	0	27721	45600	7178	2608	10942	0	6427	1046	0	0	0	0	0	0	0	2031	3529	0	23783	0	0	14594	0	0	0	4746	4096	0	0	0	2834	3978	0	0	5434	0	0	1722	0	Organosulfur	0.18181819	1.8181819	0.0
8	C11 H20 O2 S1	217.12567	217.12595	0.012909206	217.12569	7943	8220	12633	5692	0	2914	9387	17256	0	0	0	5131	0	0	4121	27088	25069	3596	10326	0	0	4010	7706	9657	13712	0	9513	0	12938	0	15198	10470	7532	10537	0	8664	6765	6650	28858	0	0	8157	5773	0	0	0	0	0	29130	8750	6657	6990	5387	0	0	0	3003	21395	0	0	22965	0	0	0	0	5112	8742	31338	0	0	0	5289	6107	0	14009	8648	0	4108	28346	4334	19951	0	0	0	0	0	28441	17047	26260	13930	0	0	18911	0	0	0	7350	0	0	0	0	6446	3627	0	0	31319	0	0	22501	0	Organosulfur	0.18181819	1.8181819	0.0
6	C13 H16 O1 N2	217.13354	217.13383	-0.067664064	217.13353	7219	9866	6214	11029	1477	3959	2948	9580	986	20316	19966	5082	0	2948	4948	13707	8186	1391	2111	18712	15824	3718	5355	14116	6647	3300	3106	41076	10477	11971	12185	12857	10380	9777	13453	9438	12327	4859	10020	5221	3185	3611	0	0	0	5238	6536	0	12986	9710	9393	7121	2177	0	0	795	1430	13216	0	1215	13183	2863	0	0	1130	1618	3230	19471	1693	5315	4492	13234	10975	12572	10171	13133	0	5387	4902	25589	5696	847	437	5178	0	0	5206	5586	4090	23072	12667	1251	16417	5645	15214	0	7036	5819	738	0	0	10410	4733	2929	0	12880	502	0	4136	0	Unclassified	0.07692308	1.2307693	0.15384616
2	C13 H16 O1 N2	217.13354	217.13388	-0.11562622	217.13351	19929	21301	20066	19688	2836	0	11047	37909	1301	34276	18523	15204	1265	3626	19706	50081	27895	6090	8022	28353	29484	16876	103403	55444	26922	10047	12824	30963	27558	27557	22163	30542	22370	26857	29666	28911	26614	19320	27297	19212	14467	11150	192	0	0	12845	12143	0	33297	32333	17733	18967	5161	0	2164	734	2747	38678	350	2528	40202	6934	2000	2521	6373	3522	8892	36716	5480	13121	12386	27512	26351	24215	42206	26812	0	15156	18124	16599	34981	5252	2406	12974	1135	2974	15906	22900	14714	52580	27199	6114	47891	11504	23636	0	21059	20711	958	300	843	23993	12854	15856	5893	30403	792	0	24009	2301	Unclassified	0.07692308	1.2307693	0.15384616
4	C13 H16 O1 N2	217.13354	217.13388	-0.11413493	217.13351	16749	20523	18889	19187	2591	6323	17168	36591	1449	24412	20763	16796	826	3253	15582	49397	40307	4771	7883	19974	20182	11760	17250	51094	19625	7508	17568	47990	36569	23727	33919	37208	38380	29854	22372	30650	35384	16255	36033	8507	5078	9864	0	0	0	12622	9938	0	44062	31849	20539	15935	7176	0	1930	445	4382	43096	0	1689	41913	4441	1588	2142	3906	3910	10704	62253	3920	10620	9575	24621	24304	23557	39556	23121	0	18124	21024	18248	21806	1782	1095	9127	1080	3290	20088	18122	15001	58126	20592	2157	55983	9515	20890	0	18269	21313	1260	315	856	35345	16678	5868	3964	43950	1033	0	20946	1503	Unclassified	0.07692308	1.2307693	0.15384616
8	C11 H20 O4	217.14343	217.14368	-0.0696432	217.14342	0	953	1032	1054	1124	0	2118	948	1254	0	0	0	810	4544	1042	1095	0	28725	34079	0	0	0	768	952	0	1044	1794	1538	0	930	1297	0	918	0	0	1557	1539	0	1883	0	0	0	586	0	300	0	0	0	0	857	0	0	665	0	965	0	0	0	0	0	0	0	0	0	1614	0	4180	0	0	0	0	0	0	1925	855	0	367	625	0	0	0	0	7182	9026	1964	7744	0	930	0	0	0	0	0	0	0	0	1181	1334	0	1012	0	0	0	0	0	0	0	0	0	1116	Lipid	0.36363637	1.8181819	0.0
24	C11 H20 O4	217.14343	217.14368	0.017009687	217.14343	21151	20590	26636	23548	13720	31632	22291	8816	4113	8218	10957	3664	7060	45051	6095	3675	3322	8300	6697	8308	0	1921	1811	3842	3501	7155	11842	185971	9552	10186	0	10232	10262	4682	2031	10843	2905	7446	3548	5209	2412	37321	43121	6808	14748	11186	6324	6814	20227	18340	16680	20288	9522	50693	6188	26864	91215	5105	5265	7486	7838	2380	5720	6436	176441	12839	16246	3402	1339	4762	4074	12971	3232	6266	3742	12498	10427	4135	1913	374809	2407	466096	22309	20120	56652	0	1712	0	16898	2200	96177	117304	4385	20808	6327	9052	22753	25371	27524	0	238123	4931	3985	9720	6877	3002	146207	10489	2746	13399	Lipid	0.36363637	1.8181819	0.0
26	C11 H20 O4	217.14343	217.14362	-0.033966422	217.14343	14126	13135	17352	15310	16990	27024	3354	10850	3238	6163	5483	5223	7535	26105	0	5789	5425	9550	12445	4703	0	2855	0	0	0	0	4105	13388	5748	7746	5602	5687	5965	4360	1330	10066	2746	4910	3198	6537	0	39897	12231	7982	0	8261	0	7819	10882	10641	13294	14951	10727	16718	4515	28887	94205	5769	3842	5400	4147	4498	4742	3699	109536	10399	18959	2246	0	6406	0	10585	7020	0	0	8767	0	3852	3385	16549	3946	8679	4334	2816	78408	205457	3657	61530	22383	0	51350	83578	0	2691	7214	7465	14787	16919	18959	73172	272607	0	4909	5646	8367	3865	156192	11798	6357	10983	Lipid	0.36363637	1.8181819	0.0
6	C10 H20 O3 N2	217.15466	217.15494	-0.10997255	217.15465	4168	4207	3861	5715	3864	5570	846	3114	0	0	0	988	1323	66766	1922	12116	2119	2688	1546	0	0	2114	1502	3035	2030	0	1396	28100	2284	1863	2823	4354	1435	7864	0	2927	2044	1421	2680	0	0	2916	0	0	0	4132	0	0	5075	1579	3869	4716	3385	0	1834	2039	1079	18560	0	0	5472	0	2129	0	0	3405	5561	2915	0	0	0	5190	5628	3376	3339	2606	0	880	2045	41312	1011	453	329	0	0	2300	12256	5564	4308	9838	53717	24181	6292	1413	0	0	3024	4561	1103	964	720	1158	1538	0	0	2232	482	0	1852	1750	Peptide	0.3	2.0	0.2
8	C10 H20 O3 N2	217.15466	217.15488	-0.10244	217.15465	2351	2294	2082	1735	0	1270	879	1513	0	0	0	0	0	0	958	15293	2639	1254	0	0	0	0	0	1332	1358	0	1643	4948	1438	833	1420	1832	1112	1000	0	1211	1104	1209	2611	0	0	1098	0	0	0	0	0	0	3251	1032	0	1725	0	0	0	0	0	9024	0	1432	9814	0	0	0	0	1305	0	4837	0	0	0	1390	1972	0	1470	1434	0	0	0	17143	0	0	0	0	0	0	1213	1032	0	1651	54653	36233	0	0	0	0	0	1167	0	0	0	0	625	0	0	2940	0	0	2357	1447	Peptide	0.3	2.0	0.2
10	C10 H20 O3 N2	217.15466	217.15471	0.009698827	217.15468	1181	0	0	0	4901	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1110	4364	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1289	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	971	0	42272	14713	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1507	0	0	0	Peptide	0.3	2.0	0.2
2	C10 H20 O3 N2	217.15466	217.15501	-0.13348435	217.15463	51426	54412	45884	49377	46625	126380	4745	37456	13861	9088	19774	14200	49403	52168	24177	15100	6332	42022	32923	3131	3821	26052	22781	26283	14680	0	1460	421888	52884	10905	47760	32458	53424	44470	9475	28673	39331	13731	8551	2103	647	48935	770	0	0	7937	782	0	23012	9637	47008	51848	31891	1953	20858	7043	4921	65008	1533	937	13176	319	50702	13295	11776	53072	36394	9491	0	5107	658	34408	34200	23243	3099	23406	0	15426	11067	376777	7389	1289	1517	0	7681	17902	17775	24484	48021	30237	1097077	1368342	55894	57449	6151	724	51992	49515	9869	8886	8539	15894	16621	6303	1096	46228	5064	0	18944	49756	Peptide	0.3	2.0	0.2
4	C10 H20 O3 N2	217.15466	217.15501	0.004254037	217.15466	29524	36003	26300	30359	3131	45427	1142	1899	1502	6727	20225	999	5341	33308	0	3114	2636	5498	2890	0	0	4512	2415	3607	1241	0	2278	128736	1569	806	2977	2821	4993	2703	1130	883	2989	7217	2724	0	0	16513	0	0	0	0	0	0	1843	719	30877	23102	4839	0	1255	1451	1572	7749	0	0	3800	0	5067	1752	4649	5802	1679	1536	0	0	0	2840	1974	1451	1548	1332	0	1244	2693	67298	1854	377	0	0	1121	2076	3775	3926	4523	8282	1329612	1053333	4678	55203	9333	0	26893	30757	11485	1351	2522	1827	2341	0	0	4754	2290	0	1642	4506	Peptide	0.3	2.0	0.2
26	C15 H20 O1	217.15869	217.15894	-0.049547743	217.15868	112430	120953	106223	95091	146756	69901	115083	116041	107660	53426	71820	72118	117420	290864	115348	135850	115539	103797	156670	87709	81078	155746	89623	96828	97915	71647	124027	92272	96163	103588	86598	100640	108097	64333	72782	110450	99918	109265	126142	74597	69906	102972	20386	19954	20567	74040	54979	21042	102923	95788	117604	108734	117183	15070	97130	112810	83269	180786	59494	73836	161165	48648	108873	79264	145178	110249	108344	146788	86029	77918	79891	63168	66768	92332	79924	105753	24284	73951	141266	125309	91144	72707	85503	72169	143738	76598	193915	73472	83207	283580	191809	157513	331070	82262	120312	21357	113183	108057	96399	160996	155310	133946	74180	101635	51208	126147	116122	15956	118536	84624	Lipid	0.06666667	1.3333334	0.0
20	C15 H20 O1	217.15869	217.15892	-0.08091542	217.15868	275654	313154	284087	251319	266450	165396	358931	243112	152759	197056	162695	144742	205326	356983	190903	425311	337168	180868	271561	241726	263957	501978	190265	214812	245970	271881	410461	168015	170093	170474	135218	180797	195211	149359	192777	177910	182873	177681	319151	145520	228711	160170	17402	6237	5323	167714	280396	13143	175194	182366	290164	298567	184616	8689	153807	218978	167243	413197	123879	255065	330000	109594	207928	130279	180414	200226	243236	336374	160713	202895	260121	126234	143416	165743	299157	181987	8529	110852	306154	443421	216121	169738	309303	335402	290903	184251	372643	160253	156938	1887332	622498	519455	1037053	332656	368168	9539	269401	285890	204671	353210	385324	215619	143378	192961	185871	346648	248078	6833	322221	168570	Lipid	0.06666667	1.3333334	0.0
10	C15 H20 O1	217.15869	217.15897	-0.07413752	217.15868	13033	11818	11655	9816	13761	21784	11136	13608	11026	4632	4015	7711	13798	9184	13701	20274	10946	8780	10355	7260	6639	19129	11113	13024	14014	5811	12415	4899	9688	7714	8720	7148	10631	5316	5815	7677	7024	12699	12966	6771	6329	7432	4627	4563	3875	11504	8964	6517	7949	11223	13661	16820	10653	4640	13491	20580	10363	19302	8259	11989	12114	3323	8069	6987	6947	8295	7937	15249	7662	6673	7077	6374	5654	7204	10646	10165	3553	8017	21709	11573	17249	12141	11076	5102	33627	13945	20392	4785	7247	95490	12549	16575	28705	13685	13419	4273	14054	12835	11985	41830	49016	8806	8287	8809	0	12262	23377	3693	16037	8560	Lipid	0.06666667	1.3333334	0.0
14	C15 H20 O1	217.15869	217.15895	-0.07185455	217.15868	55677	49366	43780	48902	55853	27333	51830	34713	31166	13841	18020	27245	44226	41642	32112	61033	56275	27564	33671	17662	21062	63832	30103	32557	37290	31354	56661	16066	27910	28040	26746	24924	29365	18021	16994	28807	27006	31312	63511	23163	28027	26009	5320	3358	3338	24212	38505	6862	32837	30337	45663	45089	37565	4085	42611	49264	34620	67434	15766	32515	44655	14627	31037	23725	29282	28059	33524	64887	19832	22036	38690	20842	23934	28780	39006	28307	3555	21307	56803	37440	44645	27939	49023	34478	79889	39446	71491	14432	27766	395885	76784	72176	128926	40004	47874	5004	55519	46030	35956	117086	128182	30429	27894	26869	17745	47944	64946	3609	56077	23607	Lipid	0.06666667	1.3333334	0.0
16	C15 H20 O1	217.15869	217.15894	-0.09351132	217.15868	78650	96489	91897	90081	85388	43718	108189	68834	50718	34362	33353	46669	53423	90659	56138	105643	133281	58590	88427	53484	49001	145738	64015	73432	71241	71955	107147	40822	46536	54994	51190	62920	65516	37028	38083	58123	52195	60118	142350	36361	61388	45461	6638	4468	4595	51715	81768	8007	69019	68801	87759	88626	68979	4790	55174	82861	61497	128667	33209	76250	81455	30091	64364	51267	52984	63630	69121	122821	53755	59132	89641	45260	46827	55595	93151	65209	4847	36942	111807	130682	73459	71057	98884	97955	150659	67084	121724	42117	44968	730367	152413	163787	236106	104625	118658	5918	96254	89053	65959	155419	206510	74812	42518	48617	39797	89586	110451	3564	110195	48885	Lipid	0.06666667	1.3333334	0.0
12	C15 H20 O1	217.15869	217.15895	-0.101634644	217.15868	33636	35899	37891	38591	20922	14541	26329	20742	20890	12039	16341	12341	11942	21251	17491	42877	26248	11702	24100	11869	12711	40000	20207	23735	24315	12697	41001	9410	17210	22698	12377	19474	16173	11423	8079	16297	17360	18790	33089	10036	17680	12809	4749	3859	3439	14822	29641	6834	18253	23109	39580	43919	20036	3660	22745	30376	17402	43702	10301	15391	34920	7364	19802	12295	14286	18048	21206	26678	0	9988	17242	13886	16026	18529	29921	20144	2694	11107	35746	19491	26428	20011	20346	13747	51948	25432	32606	14441	13013	190052	46902	38591	59984	20951	41692	3994	37125	30131	23826	67825	76896	19489	14216	18362	0	27801	44318	3909	27034	13629	Lipid	0.06666667	1.3333334	0.0
8	C15 H20 O1	217.15869	217.15898	-0.07683177	217.15868	9293	12111	7006	9620	8396	9301	8579	8454	7018	5451	4677	5560	6931	6517	10725	13382	7046	4370	7694	4781	3635	38839	11960	10264	10701	3875	6988	3072	6355	4970	6635	6035	5043	4837	5435	5203	4887	6942	7752	6004	5492	5030	3928	2821	3384	7892	8325	5232	7811	6000	10157	12204	7258	4263	6439	13962	8714	12185	3742	4004	10695	2533	6190	6581	4098	6432	4926	7376	3943	4444	4985	5520	4072	4330	4026	6190	3313	3916	15250	8435	12710	9875	7972	4663	15198	9098	13639	3502	4246	48470	9982	13658	123017	8278	11782	3420	9051	9470	9682	29648	23717	4770	7770	6756	0	19746	12021	2946	10778	4310	Lipid	0.06666667	1.3333334	0.0
28	C16 H24	217.19508	217.19531	-0.102124445	217.19505	15333	14008	13126	11263	14483	11884	22296	13956	12066	8599	15863	11802	8017	13234	16153	17105	17584	8955	11877	7718	8816	9360	12232	11999	17791	13232	21748	25216	13946	16764	10516	14821	12525	11917	8573	16501	6673	20295	16048	7944	8921	12727	8099	7625	8657	9182	10444	6942	10804	17583	13270	13163	13087	12644	9937	10540	11992	16943	10616	11508	14377	9818	7883	10455	12339	11613	19094	16183	13488	7978	8650	9243	11186	15507	11721	13289	12169	12144	19587	36757	12355	10223	11825	13069	14752	13789	35537	10930	15402	22951	88460	57744	12446	12717	10577	9087	11239	13400	14068	11860	16213	16649	11828	13563	13713	12298	15136	7117	16899	7292	Lipid	0.0	1.5	0.0
22	C16 H24	217.19508	217.19531	-0.053807553	217.19507	17237	22830	16051	18347	6962	6740	59661	10212	2980	3899	11296	3896	3260	40990	6932	13148	22020	4917	3601	3563	3312	3950	4232	4177	8518	13370	72524	19860	5327	11483	4883	5570	9066	6118	3105	9811	6802	8664	23289	2410	10016	7414	3376	0	1549	4817	8803	0	10594	19097	19308	18784	7508	3066	2001	3947	8205	12581	2081	18818	11516	4546	14167	3466	25210	12483	12285	26397	6322	4307	7890	9255	5438	10326	14837	9505	1917	3953	9663	439540	5272	12018	22173	26503	4506	6563	19615	5783	6120	35035	551899	330151	11578	39205	13388	0	19226	17477	9187	5474	6203	7654	5018	6230	4789	5669	6380	0	9119	5876	Lipid	0.0	1.5	0.0
26	C16 H24	217.19508	217.19531	-0.057916563	217.19507	40203	38529	39092	32008	26218	25239	97200	35593	24232	51722	67630	20129	19541	57915	72585	40053	56066	18379	21945	70531	49093	18167	19854	20091	30261	39628	105222	121665	28977	38273	21715	32236	31385	19988	83270	39977	26466	100752	64608	20401	36155	31390	12327	8638	12688	23422	26891	9042	37137	53843	38091	35242	25732	14911	17656	23402	34406	35176	23450	40114	38217	19732	20175	19112	60127	31884	52743	67306	55214	20305	31817	28810	22837	31374	33507	44257	12878	18985	50931	182138	24176	39803	38847	39497	31190	38445	83108	49012	30573	80013	133118	77958	33940	37580	27999	10570	37895	39785	50343	21836	41826	31355	25343	36914	33714	24414	27269	10576	51924	21006	Lipid	0.0	1.5	0.0
24	C16 H24	217.19508	217.19528	-0.057041623	217.19507	55506	67962	57442	54868	25220	24676	182533	29060	15382	25085	67398	16137	17210	109260	28207	37958	57407	11723	19043	32129	30787	15453	15993	17924	24447	39044	213075	144304	25325	30247	15845	29299	27241	22010	23009	29935	20183	28397	50983	14753	34427	23760	12547	2683	0	17781	44972	3345	33866	51018	61801	53737	18644	9747	12565	21879	23974	35000	13516	65353	37220	12256	32823	11420	93251	27659	48804	53042	23932	19413	38140	20670	19344	27195	38773	40009	5106	14067	28581	563186	17598	35065	53816	61380	18023	20221	52028	31829	22897	90546	881914	817720	34388	121388	46754	6781	55120	71181	27018	14696	20400	27354	19021	33350	18940	23283	19974	2778	37784	21518	Lipid	0.0	1.5	0.0
12	C11 H7 O4 N1	218.04478	218.04506	0.03023322	218.04478	16969	30646	12943	16539	18453	10348	8443	7436	14846	7394	8578	10499	8754	13703	6919	14926	16606	22018	35058	1452	1919	22784	8378	8738	4627	0	7767	0	9189	8811	17682	27274	28382	15984	8870	9629	25021	7418	25339	1281	0	19297	892	1712	1452	1822	0	1328	17830	6439	17247	22631	17630	885	11316	3926	8163	54601	0	0	0	0	26944	12360	6530	30900	16449	27433	0	1531	1742	15025	17196	8070	9798	27293	931	6634	14856	0	9815	2365	0	0	9837	7165	19966	24317	30210	78524	263683	34310	24761	0	1829	1547	15428	16773	7721	9197	8355	26848	10447	0	0	27477	7719	1023	9384	43889	Phytochemical	0.36363637	0.6363636	0.09090909
8	C11 H7 O4 N1	218.04478	218.04509	-0.017644295	218.04478	16467	18920	0	23223	11015	16223	5163	18528	13045	2871	4635	22799	10227	15215	16102	49809	17664	24684	25119	1522	1692	12193	22601	17166	4060	502	7162	5887	21313	15644	28029	38595	16233	32915	4028	19116	19452	20073	27809	2436	1186	36521	935	902	1359	5824	0	1308	28536	13586	19752	18692	11967	1156	10342	4057	11853	57439	872	1717	48457	0	22723	16191	12314	25182	28273	31704	0	3986	0	30625	40606	20335	18367	35559	815	13374	10979	2436	9226	2072	1345	0	7480	6206	19386	24440	47386	40663	0	0	22890	1927	2583	1342	19872	16773	6806	5672	3897	17592	20285	0	0	44024	5404	1040	9384	18737	Phytochemical	0.36363637	0.6363636	0.09090909
10	C11 H7 O4 N1	218.04478	218.04504	-0.049411733	218.04477	7762	7140	7101	8600	11563	9464	5087	7731	7248	2111	1848	5770	7433	8078	5942	15179	7274	16092	18732	0	0	10267	8743	8855	5397	0	5539	0	6554	7197	8117	8160	10628	7742	1233	5952	10874	7917	12232	0	1140	11167	1572	1274	1514	0	0	1692	10055	4864	8849	7584	10361	861	7718	3520	4387	22541	0	1387	15785	0	9735	11284	6701	13342	10171	13117	0	0	0	8557	7541	4186	9193	9074	951	5107	7098	0	5398	1144	1148	0	5578	6630	13181	12456	13615	29963	4228	5016	20310	1251	1684	1953	6004	6725	5973	6663	4893	9121	5530	0	0	15763	4056	1226	5395	14509	Phytochemical	0.36363637	0.6363636	0.09090909
16	C11 H7 O4 N1	218.04478	218.04503	-0.006200218	218.04478	15657	18975	19996	18863	4223	8708	14792	24375	4070	2111	2233	19155	6909	8014	10588	60628	27929	9655	19816	0	0	18864	15524	46434	10810	0	12627	2936	18882	19030	22302	27516	33799	32420	1993	17667	31607	17328	47828	0	0	13762	1462	1508	2081	3570	0	2825	36272	20783	18401	19810	10349	1835	2956	2024	5223	68727	0	0	51203	0	6489	6371	6630	11574	14353	38833	0	2551	0	27913	24520	19219	31709	32042	1267	12143	28653	6981	14441	1316	0	0	7806	4731	37804	19059	26801	156239	7839	3305	71477	2562	0	2038	21287	10047	4301	4355	3971	23497	19508	0	0	56225	2114	2202	21045	8032	Phytochemical	0.36363637	0.6363636	0.09090909
14	C11 H7 O4 N1	218.04478	218.04503	-0.04815791	218.04477	26115	18698	21478	24628	27230	23410	17383	52895	10443	20917	16661	17911	13439	15442	22420	67755	23300	20737	30687	1829	0	12054	19601	46989	13132	0	16483	21940	21355	38450	42396	35760	24082	37440	4649	34879	25345	19979	27683	2190	0	24155	0	1198	1461	7982	0	5999	35646	31301	31094	25916	23556	1801	6604	3726	15227	57438	0	0	71493	0	15436	15569	10454	32083	29827	32156	0	1600	1845	34907	38235	32459	21281	24334	1284	12247	26447	25647	17173	2175	2667	1226	8566	8013	48791	24551	31786	55165	127667	209601	57174	19562	33887	1987	25722	29093	5873	9100	9431	27071	16395	3973	0	54935	4717	9246	24701	16913	Phytochemical	0.36363637	0.6363636	0.09090909
6	C11 H7 O4 N1	218.04478	218.04509	0.005859365	218.04478	5052	6041	3914	5877	9187	5281	2367	3291	12015	1827	2082	3898	13432	7010	3324	10740	4129	16684	21011	1423	1296	3962	4338	3053	1993	0	1755	2419	4443	3142	4031	5173	8988	4710	1677	3694	7981	2381	6299	1525	0	10044	1150	805	1209	0	0	926	3388	2144	3722	6801	8972	1095	8357	4557	5597	7840	1458	724	8681	0	18771	10050	4265	13186	10589	7157	0	0	0	3401	4707	3030	4005	4482	712	2722	2785	0	2940	1496	643	0	6631	5125	4528	11530	15765	12772	0	1179	8352	963	0	1157	4892	4576	4578	5522	5237	8203	5219	0	0	9697	3682	981	2686	26054	Phytochemical	0.36363637	0.6363636	0.09090909
6	C8 H11 O6 N1	218.06592	218.06624	0.013632504	218.06592	11456	12655	9751	10372	9916	12094	5680	12824	8700	1623	3025	8667	12327	8128	6643	13969	9747	20935	17330	1823	2113	5608	8383	15104	4079	0	6707	3485	13017	11079	12703	15556	21980	23848	1906	12019	20056	7735	11928	0	0	11234	934	739	876	3310	1459	576	17803	10076	11157	9487	8859	1424	7369	4833	5429	15183	1634	1709	14201	0	11280	5063	7025	18394	12136	13803	0	0	0	22222	17805	11157	6335	10029	640	7064	6484	6431	5931	2320	1163	0	7671	4967	8439	21405	17302	10603	11316	9913	16739	3267	1514	784	9664	10497	4656	5892	4878	17037	9542	1823	0	14317	6058	680	5183	15545	Unclassified	0.75	1.375	0.125
2	C8 H11 O6 N1	218.06592	218.06628	-0.03090682	218.0659	16796	15893	12314	13254	19777	18455	3761	15411	9809	3079	1945	10322	32077	11366	6700	2806	6795	35037	20903	3398	5616	12706	8271	16833	4260	491	0	948	21698	9701	19108	21795	28663	69912	6009	15747	25266	4995	6528	2961	1132	17875	963	465	666	5203	1703	375	20681	6583	13330	15881	14883	811	9194	5127	4070	24605	1616	1734	6782	529	27254	10916	3883	35477	20037	9324	0	1870	1012	69101	44267	13399	960	15717	408	7626	7347	0	5521	2207	1459	808	6507	4660	7923	60523	26731	11404	16312	8765	23042	1709	713	752	15577	16832	5118	5073	5377	15837	7530	3811	1369	21801	5867	507	4836	36388	Unclassified	0.75	1.375	0.125
18	C12 H11 O3 N1	218.08118	218.0814	-0.03641053	218.08116	16308	15930	15481	11425	15283	13811	13939	13945	6273	3383	10585	11428	15811	12406	12879	21706	25117	14205	15652	6092	3771	14675	11811	18151	12892	0	14651	10918	13567	13023	16211	12893	22607	12640	6891	12160	27622	10037	23264	7365	11570	14528	5283	3332	4792	6517	5236	4824	11778	10990	12832	11531	19609	3508	12152	6432	10428	18689	4210	12252	18455	4336	11343	10359	8000	17027	18504	22652	1745	1918	3760	8190	8837	8195	8941	11869	3480	8248	21986	14788	19506	8195	7177	4046	9588	9314	22207	19175	17900	41233	15505	16988	35910	8427	6157	4739	13922	13627	9967	7770	9457	21602	12867	12880	3536	20780	7984	3851	15407	14397	Phytochemical	0.25	0.9166667	0.083333336
8	C12 H11 O3 N1	218.08118	218.08147	-0.045599554	218.08116	32449	37742	24426	36702	32799	20519	27200	32388	24860	21903	17350	23219	31419	19339	27109	53243	47594	35262	43609	24064	26353	40772	25069	42469	22705	14522	32649	17288	24853	28410	29224	32616	48014	33070	33125	27661	48683	22137	58969	25851	27000	29302	3527	3187	3800	24753	20885	4356	41666	26583	32210	31771	31432	3565	30324	18978	20696	43330	14103	20933	45719	13687	34268	24836	16643	31133	22825	48107	13799	17027	18934	25383	27489	20748	27937	33138	3260	21329	37739	21449	29390	22242	19581	16391	25090	16896	39306	33323	31569	73528	26241	25081	69611	19579	24994	4476	34222	28734	24745	25297	26865	44694	23314	24172	8813	38892	22518	3477	26545	40305	Phytochemical	0.25	0.9166667	0.083333336
14	C12 H11 O3 N1	218.08118	218.08144	-0.032945827	218.08116	60169	60872	52185	55986	55283	37150	57694	47209	34955	44154	39796	42101	40304	29035	30763	70852	67204	54904	65818	36412	33136	68919	37655	62171	40175	12172	53873	31866	38013	36499	50763	52623	71458	56386	38583	40489	85313	28320	81677	43971	66429	40969	4301	4165	3757	39534	46766	5295	71536	37685	55342	51709	60539	4007	30316	18794	38077	99783	21607	39686	68309	20217	43175	30182	20280	56787	42146	83885	0	20235	22464	43641	37148	36454	43330	53616	3343	33736	48529	40702	40633	29690	34616	32272	25894	21677	53423	68411	55747	170697	59013	60078	126034	33588	45046	5698	59080	49240	20624	26277	29989	56105	39474	40883	0	99375	21776	4967	61263	33923	Phytochemical	0.25	0.9166667	0.083333336
16	C12 H11 O3 N1	218.08118	218.08142	-0.048683316	218.08116	22313	27151	25380	24094	27794	19415	25435	26850	21085	15941	20836	15752	21873	22669	20350	35218	31980	36382	31201	18966	19162	37227	26400	31601	29270	4060	21035	22201	25317	24869	31988	32080	42698	25827	19501	22348	43731	18781	35097	18740	29249	27407	9194	3987	4702	18414	21497	5394	35449	25267	22654	22674	25826	3765	11522	13059	20505	39673	15654	22980	35800	8787	21320	18657	16915	23578	26688	26473	7839	8342	8042	25281	18430	18377	23490	24191	4041	14357	37043	36257	21973	17749	17288	13106	18015	18305	35301	31343	28246	58810	31177	27743	58766	17989	22321	5945	21228	21484	12367	18943	16012	29401	19662	20088	10668	39938	15373	4250	27694	24849	Phytochemical	0.25	0.9166667	0.083333336
2	C12 H11 O3 N1	218.08118	218.08154	-0.007922618	218.08116	19779	19648	16043	21117	31162	43635	34678	27946	21495	13149	15503	26518	22551	28402	16010	25395	36762	24052	23294	13124	15804	16270	15986	13987	11277	4509	23690	10475	31644	29894	35699	29916	29549	34122	16081	26821	26485	20250	43048	12826	11684	26901	3132	3223	4272	9513	10445	3477	35963	17469	16862	22182	23557	3502	17116	15363	24053	36264	4120	6528	24162	5794	20001	16308	17905	26557	38039	42066	8145	9146	7428	33356	36841	28895	24050	43340	2537	15921	13673	8708	12669	9233	7347	7042	14015	14752	12716	21689	25788	26053	8781	9163	19847	8344	7794	6372	21014	23982	15542	17614	15923	21311	26867	8725	8290	28902	13517	3696	17338	22811	Phytochemical	0.25	0.9166667	0.083333336
6	C12 H11 O3 N1	218.08118	218.0815	-0.021756556	218.08116	25546	30249	23924	25911	30230	17868	21899	26108	23932	20890	19577	15885	26972	17823	22609	35412	30985	33893	38962	21206	22890	27331	19125	29604	16950	12626	18490	16658	26096	24012	22612	29162	39517	21296	26367	21480	39640	18889	42852	19088	23323	20355	4325	3508	3691	22377	20407	3817	27774	21716	25865	24827	26230	3340	24244	19287	15811	44027	9902	19264	31954	11491	28915	16508	13389	31060	19814	43986	15331	20001	22818	17310	17659	15977	22578	28600	2500	14277	24434	14588	19836	16551	14538	11324	24705	16607	27292	25199	28599	54634	21052	19728	44444	18252	20429	4714	26285	23822	14602	20451	24690	32617	21574	21036	11730	32461	20737	3442	18666	34586	Phytochemical	0.25	0.9166667	0.083333336
12	C12 H11 O3 N1	218.08118	218.08145	-0.044934113	218.08116	55461	80062	60338	67010	46808	37068	55647	54196	42955	40004	46751	29334	38351	33313	37899	94074	68667	62513	67153	56236	50664	83493	37062	82830	46455	17406	65065	28415	46069	58616	51448	73844	80472	55773	46968	47377	87976	32597	72590	39461	71767	51614	4782	4867	4608	42222	47048	6018	86113	50591	72149	68427	51460	3942	48162	35222	29210	89998	19216	36771	73634	22126	47206	34381	26611	53579	43585	73829	20797	28607	36282	47721	43080	41910	76327	64019	2938	34232	49622	46984	41017	38473	33288	28603	36558	34429	63622	60775	54753	141514	77906	64868	121235	32521	71346	5942	61000	64995	33532	34946	41571	97158	35298	51280	21911	69711	41758	5111	49348	56111	Phytochemical	0.25	0.9166667	0.083333336
10	C12 H11 O3 N1	218.08118	218.08145	-0.039041936	218.08116	72233	65992	70590	65880	88402	60145	51513	77627	54097	39381	41694	45717	73391	48053	46110	127653	87977	139293	146378	50074	46958	121635	60435	102075	72890	22113	66403	31023	62253	43785	46278	56066	102696	63148	49980	47634	90808	50322	103152	42217	50212	55734	7181	4626	4994	42084	38651	5404	68127	46731	82960	69915	78187	4663	64973	38116	29511	137088	31201	45676	137281	23528	63864	59906	33247	98385	59433	100328	21618	32281	32107	48249	41696	30316	57593	50812	5213	37592	95708	58727	69382	34620	40950	20817	64920	47148	129167	89031	75567	296049	69536	72410	293587	37179	56265	6792	79340	68779	42131	61226	59548	79534	36662	50678	0	117167	47980	5003	76942	90473	Phytochemical	0.25	0.9166667	0.083333336
10	C11 H11 O2 N3	218.0924	218.09268	-0.0232196	218.09239	7166	6667	5222	6221	4802	3178	5587	7198	2235	3404	3644	5463	1353	1629	5011	13990	11824	6337	7471	4075	5332	12472	6293	12770	5996	0	6509	4715	4989	3668	5362	7392	6283	6681	4033	4988	11186	6289	17324	4272	5288	4303	0	0	0	2930	4359	0	10541	6903	6498	4640	6919	0	2292	0	3262	11195	0	4743	10385	1889	2382	1365	3237	4893	4313	17751	0	0	0	5511	6913	5363	10647	7794	0	3526	10422	4840	9030	2688	4233	1647	2310	2631	10876	9151	5010	31082	4682	5930	18069	5245	4774	0	6476	7439	2520	1228	1120	7211	5372	2668	0	14193	1260	0	8784	1815	Peptide	0.18181819	1.0	0.27272728
4	C11 H11 O2 N3	218.0924	218.0929	0.106825106	218.09242	16395	23563	23720	19193	5313	11270	22928	30404	4413	12270	15825	20569	3405	3062	12917	61001	91481	7834	9590	9806	13009	11893	12693	43922	17231	3445	24730	20131	35075	0	21283	33498	23602	22289	11256	33528	25478	18351	79917	9225	14138	15735	0	0	275	15843	13716	0	30229	34558	22626	16016	8451	375	3931	2308	6523	34232	1407	6135	48784	6385	4124	2628	5448	6625	9216	88367	3689	6192	8498	11160	23090	27598	72496	30250	0	14562	17652	12218	19656	4193	2999	6668	4340	6977	20501	16966	11383	72075	10265	4581	36202	6942	7023	712	19103	21026	5952	3342	2980	27991	16328	5179	6301	27406	4237	283	24936	4190	Peptide	0.18181819	1.0	0.27272728
6	C11 H11 O2 N3	218.0924	218.0928	-0.03120585	218.09239	12027	13110	9693	11087	10772	8746	10635	15019	7420	11471	10968	8889	11842	4711	9648	25858	19659	13871	13196	9459	9485	15383	10965	25410	10613	3414	9243	11331	10746	10883	10001	15582	19676	11811	10508	10667	14966	10932	26709	7742	11515	9616	0	0	0	6692	8757	371	18086	12527	14050	14395	16909	307	5225	3181	4722	24626	3613	7882	18526	3518	5297	4573	4043	16396	13247	26621	2529	5604	7825	10381	7959	7283	11872	10299	0	7583	15240	5687	14513	5109	4034	6551	4936	6226	16750	12808	9660	70600	7261	7076	46341	8125	9426	0	12287	13157	4908	3073	3801	16588	9114	4309	0	22901	6974	0	15066	8162	Peptide	0.18181819	1.0	0.27272728
8	C11 H11 O2 N3	218.0924	218.09273	-0.04879111	218.09239	12349	15575	11094	11986	6508	5440	10825	14701	3996	7712	9040	11391	3433	3581	11039	33151	25784	8000	11359	8539	9958	17771	11934	28919	12488	2532	14103	7801	15053	12876	13521	16710	15729	14851	9945	12448	23309	10232	34637	6098	7299	9469	0	0	0	8347	7025	0	19975	10921	12112	14623	6013	0	3811	1648	5217	22781	2515	6609	18384	2691	3467	3212	4349	4391	9225	26854	0	3889	4325	16259	14123	7298	20207	14525	0	8250	18212	9468	13390	5224	6017	4150	3237	4893	15816	15007	9157	64812	10615	7720	42131	5279	8238	0	11572	11685	4105	3712	3037	18375	7416	6757	0	26841	3428	0	17271	4954	Peptide	0.18181819	1.0	0.27272728
2	C11 H11 O2 N3	218.0924	218.09276	-0.053269926	218.09239	10772	10783	10179	10686	7349	18971	10016	16705	6362	10618	14019	11167	3953	4127	7883	12888	19793	10276	9740	9138	12195	12847	10047	17945	9733	2457	5409	22848	15006	17838	31576	13328	0	12636	10237	13924	0	8435	23052	7079	11235	8191	0	0	0	7562	9289	0	0	10955	11269	9837	10179	224	5848	2190	5239	21291	1371	5220	9685	3342	6104	4625	4871	7945	8821	23883	2520	5157	4021	10709	14596	9847	14620	27424	0	17656	11167	16890	8462	3556	3038	4257	3959	4584	9409	14702	10736	34863	7047	6214	41884	6519	4513	468	10994	12536	4080	2487	2898	12856	20820	7084	5106	23688	4859	0	12636	6348	Peptide	0.18181819	1.0	0.27272728
8	C9 H15 O5 N1	218.1023	218.1026	-0.06488825	218.10228	66235	72232	64054	73910	72170	136630	58837	98172	61188	16117	31210	59075	116954	84683	77279	103121	89829	127233	103007	25077	19907	36450	71895	87055	63368	8343	58600	69924	104491	98961	95981	104668	102752	125955	21219	99591	104270	63539	84887	9886	11117	72652	8905	3876	6029	35996	16897	5199	121130	83422	64909	64312	67895	7804	85728	39538	39939	82692	24950	15315	91989	7656	88084	57696	47557	133328	70604	78268	8903	10064	9826	142301	102114	99217	63613	92744	3794	67526	57394	54918	47977	22376	22162	17599	50533	44648	74564	79009	84636	79703	61240	63351	101574	23712	13604	6826	70007	78582	49954	44283	48377	102313	65991	23299	125030	76153	51325	5247	58925	110961	Lipid	0.5555556	1.6666666	0.11111111
2	C9 H15 O5 N1	218.1023	218.10266	-0.08156384	218.10228	92877	94833	83633	85621	112640	207247	63889	95432	96151	21460	21623	80222	194162	102696	72139	35273	100225	288323	121963	24807	29637	53611	62802	80477	31897	3472	22666	20663	142181	78988	129862	124298	183931	291911	35518	113062	156491	56524	99652	18262	7237	108698	26943	2938	4331	33668	11474	2918	126577	55412	89589	92460	115396	4190	99184	65375	55179	112216	18053	12873	52423	5368	136007	89145	51583	239309	144921	110337	6346	13955	7871	328022	219416	98473	20102	107060	2903	78441	45533	26398	42985	22878	12339	5935	63256	54890	47504	216856	148043	59217	60418	54025	94129	12197	8355	6475	90344	97333	64298	61997	73174	104130	83116	27768	15739	98522	59041	2559	37890	207136	Lipid	0.5555556	1.6666666	0.11111111
10	C9 H15 O5 N1	218.1023	218.10257	-0.07654387	218.10228	45286	38975	34873	33762	30675	53242	47547	59287	28271	6669	12866	48799	44397	37669	44682	52256	57644	59595	37167	12136	8647	25427	42134	53386	38675	3600	48215	13828	54336	55423	52139	58629	64701	60143	10774	64704	67128	44028	68840	4087	4529	37685	7826	4864	6928	16268	8692	5587	62879	44896	41736	36600	31182	6638	32475	21385	19157	51614	10189	8814	53258	3534	30139	22343	23188	57573	28793	71272	0	5086	3810	61563	52925	58266	55665	49080	4631	39877	39340	17464	35594	14210	23536	8756	27534	25568	44879	39454	35989	40406	27738	24054	52817	10308	7810	6320	36229	44870	24806	23961	33312	60588	46297	10795	0	48621	29747	5800	34612	43193	Lipid	0.5555556	1.6666666	0.11111111
12	C13 H15 O2 N1	218.11755	218.11784	-0.051744666	218.11754	30710	43496	40603	35370	13478	11756	24090	16230	8816	104468	64081	14320	6577	8484	11956	35612	28677	12667	19158	130314	105042	73308	8401	31181	15782	59786	28999	49353	16169	20441	13869	28205	25761	20219	102423	21446	31838	13334	39905	63543	102488	15761	1845	1861	1618	33368	49530	1925	25175	20587	36598	40400	13543	1516	11371	5144	10084	36814	8786	28189	24030	27743	8364	9063	6538	11495	12170	32668	33570	47154	81000	20047	22453	19781	41223	21728	1007	10845	18015	34194	14204	25551	24637	38735	7951	8049	20070	17830	13744	49056	63512	48082	33350	53167	129370	1927	35264	40851	8516	5772	6532	36607	14469	35082	20575	25115	10169	1591	17705	13967	Phytochemical	0.15384616	1.1538461	0.07692308
8	C13 H15 O2 N1	218.11755	218.11786	-0.056749407	218.11754	32192	31430	23616	28379	14496	13260	18174	26576	10589	32148	17907	16678	10647	8072	17024	37728	33758	17109	28592	30957	33099	60615	20456	35840	22132	25052	24682	20484	23541	20696	20682	27510	35377	24906	37911	23546	36826	15286	41498	27348	36578	17227	2086	1530	1626	41289	65775	1798	33599	20728	27244	31651	15818	1596	13355	5060	11537	35264	5688	18037	33056	16603	10994	13456	9794	16636	17841	39387	16543	26525	30073	21709	20684	16858	25485	23477	1426	16422	31573	33496	24183	49941	12743	21543	8755	10834	40160	21976	26408	83494	37413	39015	89362	37349	56795	1660	32559	28486	8095	8989	9604	31363	17016	19947	20552	41972	6921	1573	25913	16064	Phytochemical	0.15384616	1.1538461	0.07692308
18	C13 H15 O2 N1	218.11755	218.1178	-0.042408403	218.11754	14961	15985	14385	12924	8303	9603	13553	19881	5057	19086	21734	11152	3174	9912	8711	18466	18338	8605	5949	25434	24286	50921	9094	24964	15482	14014	15277	28514	13455	15910	15417	15459	25375	15515	23083	13532	19087	6527	22558	23201	40411	9743	2364	1715	1945	15100	22850	2128	18827	14947	15829	18031	10723	1579	9764	3570	7259	22514	7517	19017	20211	13842	4599	6503	6616	7611	11796	26864	13235	12270	18560	13575	12720	12796	14530	14029	4026	11387	13270	28388	8191	17131	12310	15866	4167	6115	17302	16054	11461	67477	23767	18284	130236	22063	22023	2330	15885	14392	5256	4587	5513	18017	9683	16481	10298	29397	4934	2239	15948	5740	Phytochemical	0.15384616	1.1538461	0.07692308
6	C13 H15 O2 N1	218.11755	218.11787	-0.06305095	218.11754	47800	53570	42844	49867	23582	24271	33727	56254	19559	86831	53778	27697	15394	14846	30846	71316	49322	34094	39111	79571	79509	59729	32529	75786	43581	32250	34694	51605	43840	37449	44826	52942	74768	50071	94220	46881	67226	28074	72458	40877	46946	26210	2704	1385	1269	48164	44800	1676	61674	44006	48603	48377	27296	1521	26922	10797	15610	69025	5665	22452	68411	25310	18999	16629	9952	24551	30183	76374	20046	47223	56129	46325	45880	42752	44111	44801	1176	25726	54661	42432	36062	17011	13032	39749	15333	14633	76879	30334	34396	161776	59759	22825	142476	44193	63568	1529	48676	43192	12044	9562	10603	63752	29998	36324	20727	68156	12770	1539	52210	23512	Phytochemical	0.15384616	1.1538461	0.07692308
10	C13 H15 O2 N1	218.11755	218.11784	-0.03575489	218.11755	26811	29581	22342	28444	9743	13152	21694	22041	11758	31576	21044	19842	4711	5505	17700	32472	26394	13349	20603	35577	43610	83782	17537	40490	73717	32901	28518	23832	20710	21504	18174	25618	33154	18990	33369	17458	30861	15146	35754	28870	43718	18184	2730	2098	1669	19651	25260	2218	26536	18722	25043	29783	11182	1723	9635	5924	9260	39470	12185	23900	34230	15575	7032	7271	10917	12279	12746	29649	21164	28651	36255	17589	18838	12823	24079	17299	1266	17551	30865	35643	20461	21619	26718	22223	11758	10905	47771	15308	15894	219832	49885	41899	240747	31684	52903	2744	33526	29645	8800	5053	7227	25702	17010	26599	14531	45740	7019	1587	82477	9762	Phytochemical	0.15384616	1.1538461	0.07692308
14	C13 H15 O2 N1	218.11755	218.11783	-0.034018654	218.11755	41235	42949	34178	40727	15898	12672	25657	20452	9355	106903	76707	19673	4450	12902	14123	31846	35263	13119	19620	106045	93462	69321	13635	23028	14159	59878	26773	60986	17309	19294	24549	28049	29046	32327	98227	23667	38413	14868	36786	79908	133939	13965	0	1151	1554	26111	56943	2043	30341	22154	44460	40754	18534	1568	9683	5507	15101	43809	16416	39775	21127	34209	12520	7700	7121	11675	17250	41558	28491	55194	107674	24988	21895	18498	28949	23502	1288	13067	21676	48263	17236	29264	33947	64196	9121	8983	22169	27928	19811	60028	56696	44517	44206	64460	102668	1962	37609	33132	8327	5321	7056	24923	20211	39634	0	32764	7954	1756	23076	8361	Phytochemical	0.15384616	1.1538461	0.07692308
0	C10 H19 O2 N1 S1	218.12093	218.12126	0.14569134	218.12096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2712	0	0	5400	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14706	0	0	0	0	0	0	0	0	0	0	35110	5919	0	0	0	0	0	0	0	0	0	0	0	0	0	0	818	0	0	0	Organosulfur	0.2	1.9	0.1
2	C12 H15 O1 N3	218.12878	218.12915	-0.078464225	218.12877	8200	7875	6155	5772	936	0	3091	8527	785	13091	9264	3349	688	1935	4138	12902	8868	2148	3254	9861	9712	9106	4344	13756	7091	1847	3769	21914	7865	6582	6794	6654	5482	5809	10506	7110	5751	4492	9148	8456	6415	3925	0	0	0	5694	7491	0	9359	6633	6735	7616	2415	0	1115	349	1397	12033	237	837	11653	2945	781	883	0	2204	3431	12068	1058	2654	2859	5803	7429	6621	10746	5969	0	4296	5655	16386	7113	1450	1402	6267	467	1260	6286	4826	4930	28139	9670	5017	20889	6359	8080	0	5541	6498	769	0	303	6103	2947	6219	2579	10317	325	0	7279	525	Unclassified	0.083333336	1.25	0.25
12	C10 H19 O4 N1	218.13869	218.13898	-0.003857231	218.13869	26658	24337	71112	23238	19069	95584	360494	294094	6063	4467	24341	216339	8232	453133	138026	97406	314660	32944	33498	4615	8464	19772	152340	74542	91849	163449	32445	31933	237289	78297	271239	79493	0	289940	3579	419079	0	154327	291615	2365	6897	174535	16408	3428	5149	23090	5163	3295	67736	87652	50347	23881	33299	8990	6981	22471	47827	206441	0	18822	94667	4071	67728	8739	403806	38482	171340	401587	23626	17362	29256	268454	450635	372287	94750	294454	3733	166365	76615	77617	72491	27617	425098	546733	10041	38032	251067	72474	106983	176892	16077	10109	73935	6893	2920	4993	53969	77842	26184	2997	7641	54944	145543	0	0	127417	5910	3454	138723	16319	Lipid	0.4	1.9	0.1
6	C10 H19 O4 N1	218.13869	218.13899	-0.07840416	218.13867	8171	10471	10683	10288	8450	8830	13104	13369	6037	3720	3737	6131	12663	18840	9447	13120	15361	12920	9804	5610	5460	6161	7322	8531	8069	2986	10486	5058	12716	13283	9698	13192	16031	13973	4038	16348	15054	7040	21984	1818	2974	11060	1343	442	646	7597	7186	309	10568	10786	9959	7539	9338	951	8703	5766	4585	14111	4253	5480	13311	1100	9620	4819	8288	12560	12988	15800	1579	2722	0	8825	10121	16468	6791	9468	397	5753	7032	10658	4878	6194	7711	7959	9932	8499	13152	13585	10780	14449	15749	18503	10383	2802	2975	408	8625	11404	4278	8250	11161	19871	7011	7612	0	14814	7979	415	8180	9008	Lipid	0.4	1.9	0.1
8	C10 H19 O4 N1	218.13869	218.13898	-0.06721488	218.13867	25954	24003	24717	21587	19676	30945	41332	31815	8317	14409	11489	16445	32721	128850	24672	36827	39982	28244	29769	11324	9175	9645	22672	16584	21362	24128	34932	29990	36710	35247	60162	33363	24414	27645	14052	41225	20178	17000	33539	5165	10288	41029	8518	877	1046	16455	14704	761	37232	44490	22218	21400	16138	17292	10730	20595	20186	26016	3929	19818	38885	2431	43883	11092	69811	69537	61853	32402	5279	9911	5407	21010	32333	38901	26460	37051	688	13996	17079	26841	12773	15709	54205	132179	21283	37370	31308	25471	20738	23065	71781	44861	31069	7652	18617	2532	24549	32739	18677	13071	33298	31640	13787	10523	0	19621	19387	693	18864	49411	Lipid	0.4	1.9	0.1
4	C10 H19 O4 N1	218.13869	218.13902	-0.102792636	218.13866	19433	21119	20276	19792	15487	17975	10341	23774	9579	4151	4221	16428	18401	564024	10731	16393	21182	18503	23296	4087	3965	10325	13194	17871	5515	449	11133	0	23071	16051	27720	29901	32431	26854	7154	28112	29110	12939	24831	2304	2211	19093	1099	361	408	11875	3505	0	29044	24003	20602	15780	13740	466	9513	17604	8840	20595	3193	4879	17565	1421	15640	9781	136664	17591	94338	24863	1301	3278	0	26422	31623	32840	12730	26532	494	15384	11288	0	9108	3747	3524	1066	7162	9404	16352	18091	29427	14620	0	10479	15242	2678	3972	555	20348	21889	11332	11521	13960	31543	12829	5098	0	17443	7006	370	6825	25781	Lipid	0.4	1.9	0.1
0	C9 H19 O3 N3	218.14992	218.15025	-0.22987111	218.14987	3119	3438	2874	2548	4956	33765	1971	4890	4539	0	1147	2111	6615	4331	1784	0	4299	5992	4245	0	1762	6908	3021	4281	5277	0	0	14302	12015	0	4453	2702	16996	6807	2856	3180	4243	2370	4542	0	0	3152	0	0	0	0	0	0	4721	0	3291	2503	3736	0	2349	1706	1490	5018	486	683	1821	0	5624	0	3062	6259	12371	4181	0	0	0	3955	3504	0	0	2314	0	2510	1497	24173	1366	462	0	0	1540	2199	2888	4970	4404	3420	28407	14391	22617	2317	0	0	2253	3262	2716	1094	1001	3918	0	0	0	5771	2428	0	1291	13454	Peptide	0.33333334	2.1111112	0.33333334
2	C14 H19 O1 N1	218.15395	218.1543	-0.07361818	218.15393	131159	138771	125849	118652	4626	37816	82836	279369	2603	97915	47720	87044	1770	5079	102433	446359	218492	23396	33710	142950	124076	64397	94706	512951	171524	10467	111771	41734	272984	193743	172744	283595	212551	241072	92627	271619	227345	86870	272631	72702	25728	98029	300	0	0	64531	41650	0	381158	232594	121879	117118	44590	0	3307	665	15919	327677	541	2026	339317	30559	1488	5220	17655	27676	63411	376992	10086	30174	24288	196488	203722	227743	376163	207538	0	99202	134962	50434	114002	3853	8120	67135	2702	16169	101953	101665	148430	221539	218757	11063	441617	41281	139435	0	135581	152604	2708	678	1368	244053	74290	120314	20970	239803	1525	0	130017	3299	Lipid	0.071428575	1.3571428	0.071428575
6	C14 H19 O1 N1	218.15395	218.15428	0.02210077	218.15395	9634	13395	8549	10799	3627	7053	3027	8085	949	33731	21486	3393	0	1484	3685	12269	4429	4246	4482	34120	36810	6334	5189	15622	8242	26490	3587	19030	7260	7403	7548	9790	9463	7724	39063	7043	8254	4099	6292	11143	3487	2727	0	0	0	8155	8110	0	10457	4941	8913	8738	2885	226	1323	0	1306	18330	0	0	12000	5436	1689	0	1253	2853	5110	8002	13850	26554	32369	8751	8861	6946	7337	7850	0	3033	6191	7196	4221	503	476	12006	829	0	8522	4656	4350	33891	17919	0	24344	11171	24511	0	8555	6526	963	0	898	8534	3163	2534	0	10953	526	0	5124	1168	Lipid	0.071428575	1.3571428	0.071428575
22	C14 H19 O1 N1	218.15395	218.15419	0.030671384	218.15395	4852	5114	4518	4201	11637	7967	0	0	1729	8305	27641	0	0	0	0	3130	2468	2780	0	20836	17498	7774	0	0	1487	29115	0	24976	1486	0	1357	0	1856	2491	9313	2120	0	0	3775	8029	20852	0	0	0	0	10473	21776	0	2536	0	5607	4528	3486	548	0	0	0	4494	1957	7579	3085	6864	2275	1316	0	0	1647	3776	19143	11175	23326	2053	1945	1499	2141	0	291	0	0	17648	1047	9976	6583	12535	0	0	0	1474	0	8011	10069	11858	4994	18358	13069	0	5508	3407	1403	0	0	1481	1723	8748	9069	2467	5075	0	0	0	Lipid	0.071428575	1.3571428	0.071428575
0	C14 H19 O1 N1	218.15395	218.15425	-0.28489143	218.15388	10301	10984	10396	12897	0	0	6017	8956	0	4533	3191	6634	0	0	8340	0	11227	0	0	4943	7778	20109	8148	48958	15803	1897	3447	2420	5870	2075	4843	3807	5077	6586	6697	5891	7248	8244	10113	6351	7791	0	0	0	0	16533	14551	0	6352	7590	9402	9866	0	0	277	0	0	31788	826	1172	0	4695	0	0	1488	0	2236	10951	1039	1722	0	8588	4741	3799	0	6416	0	4815	18697	7760	15631	4725	2894	8921	0	0	15782	2401	2920	74034	5058	2514	77604	12642	1703	0	8846	10355	0	0	0	3036	2980	6109	4579	29215	0	0	23721	0	Lipid	0.071428575	1.3571428	0.071428575
4	C14 H19 O1 N1	218.15395	218.1543	-0.03471222	218.15393	83078	89158	75733	86978	4675	17458	30589	76661	3014	99654	40998	34231	2791	13695	26408	172160	52101	15750	38421	119538	121683	60189	51735	265377	90562	23530	44151	57114	70262	42300	46806	107560	80360	82400	123521	68224	67091	38362	59100	55118	11655	14707	0	0	0	83965	36489	0	93689	50616	82209	84811	12806	0	4339	603	9558	308841	0	472	142994	21049	3744	3359	7303	13777	16548	105967	12278	33859	26543	59039	62766	61537	124287	58249	0	35637	101317	31394	158967	1697	1493	45312	3597	5870	110125	59749	103083	289224	161838	2365	238554	64908	112550	0	72744	69606	3743	825	1314	57799	28654	22265	17471	121717	1235	0	89089	4672	Lipid	0.071428575	1.3571428	0.071428575
14	C14 H19 O1 N1	218.15395	218.15408	0.035272256	218.15395	0	2571	3481	1364	0	1362	0	0	1210	0	1556	0	0	0	0	0	1825	0	0	2958	1856	0	0	0	0	0	2634	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1655	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2252	0	0	0	0	0	0	0	0	6862	0	1276	0	0	1245	0	0	17406	0	0	162181	0	0	0	0	0	0	1699	0	0	0	0	0	0	0	0	0	0	0	9206	0	Lipid	0.071428575	1.3571428	0.071428575
18	C14 H19 O1 N1	218.15395	218.15408	-0.115356974	218.15392	0	0	0	2556	0	0	3285	0	0	0	0	1813	0	0	1382	1772	18745	0	0	0	0	1880	0	0	7253	1658	5106	1917	0	0	0	0	0	0	0	0	0	2145	20502	1295	1564	0	0	0	0	0	2734	0	0	0	2371	0	0	0	0	0	0	1722	0	2121	2094	0	0	0	0	0	0	22598	0	0	0	0	0	0	3519	0	0	0	4616	4880	4510	2323	1614	0	0	0	4518	1074	0	30108	8448	7891	9703	3048	5965	0	2060	0	0	0	0	1432	1815	0	0	1819	0	0	8492	0	Lipid	0.071428575	1.3571428	0.071428575
4	C11 H23 O3 N1	218.17506	218.1754	-0.09520953	218.17505	10021	8670	14489	5801	4080	2785	39097	17199	2230	3425	1696	4293	5650	15148	2817	12755	3817	3254	3013	2135	1427	1065	1798	2065	2986	0	25800	7290	40325	142840	27000	27076	74705	29839	2293	54815	104513	1412	5190	0	0	3154	0	0	0	1818	0	0	31625	20700	13633	6362	2686	0	2959	1598	1147	8495	0	0	8315	0	3288	1137	1616	4028	4304	2103	0	1451	0	32589	239340	108553	23841	198475	0	3166	1507	6629	622	0	2144	2651	2074	2181	1750	2651	3574	1080	12842	6164	2853	718	1005	0	13864	16730	2761	1019	1735	66966	2843	1916	0	6444	1726	0	2018	3784	Lipid	0.27272728	2.090909	0.09090909
8	C11 H23 O3 N1	218.17506	218.17528	0.09314577	218.1751	0	1288	0	1027	0	824	798	0	2128	1129	0	716	1342	2648	0	0	0	0	0	1218	0	0	0	0	0	0	844	9112	2006	4716	4320	2529	1681	4476	1588	1704	3985	0	0	0	0	3099	0	0	0	0	0	0	1588	0	0	1622	678	382	0	0	4119	0	0	0	0	0	0	0	1580	1851	1850	0	0	0	0	2194	6580	5682	0	6127	0	896	0	54909	0	0	0	0	0	0	0	1929	1296	0	0	0	0	0	0	0	1256	0	861	0	0	1217	793	0	0	0	0	0	0	1047	Lipid	0.27272728	2.090909	0.09090909
6	C11 H23 O3 N1	218.17506	218.17537	-0.08901068	218.17505	15457	21087	14844	21888	5440	3324	12126	13342	16990	9725	1600	923	6920	5008	3106	7421	0	3176	1481	3075	2116	703	1381	10633	2483	0	12539	14620	14052	35601	33018	13781	40059	12547	5389	14294	20174	3034	1797	7284	0	1792	0	0	0	32504	0	0	20703	7953	14248	20215	4312	0	4248	1294	609	16106	0	0	6871	0	8462	2053	2328	6533	3865	3244	0	9489	0	14063	50623	29555	55085	78170	0	1810	0	19993	931	0	0	0	1261	1357	1189	1695	3612	0	20084	6409	1376	2216	17145	0	12128	7801	1459	1616	1827	30135	1414	10712	0	1937	1943	0	1237	12826	Lipid	0.27272728	2.090909	0.09090909
10	C11 H23 O3 N1	218.17506	218.1753	-0.11898781	218.17505	0	0	0	1044	2152	1005	0	0	0	2580	4907	0	0	17405	0	0	0	0	0	0	0	0	0	0	0	0	0	12275	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1096	0	0	0	0	0	0	0	0	0	0	0	1167	0	1159	0	0	0	0	0	0	0	0	0	0	0	0	40669	0	0	0	0	0	0	0	1177	1494	0	8958	0	0	10507	3862	0	0	0	0	0	0	0	0	0	0	0	1161	0	0	0	Lipid	0.27272728	2.090909	0.09090909
14	C15 H23 N1	218.19032	218.19064	-0.042515602	218.19032	0	0	0	0	0	2746	0	0	0	0	1783	0	0	2890	0	8229	0	0	0	0	1748	0	0	0	2102	2754	0	0	0	2515	0	0	0	0	0	0	0	0	0	3311	0	0	0	0	0	0	0	0	0	1462	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2385	0	0	0	0	4337	0	0	0	0	0	0	0	0	4417	0	0	0	0	3744	11303	35499	0	33923	6819	19410	0	0	0	0	0	0	0	0	0	0	10928	0	0	0	0	Lipid	0.0	1.5333333	0.06666667
10	C12 H27 O2 N1	218.21146	218.21153	-0.041135855	218.21144	0	2226	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1847	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1048	0	455	0	0	0	0	0	2324	1727	1328	0	0	0	6124	25987	0	0	0	0	0	0	0	0	1616	0	0	1742	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1312	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.16666667	2.25	0.083333336
28	C11 H6 O3 S1	219.01105	219.0114	-0.21881457	219.01099	0	0	0	0	0	1217	0	0	0	0	0	0	1683	0	0	2494	3637	3259	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2144	0	0	0	0	0	0	0	0	0	834	0	0	0	1237	0	0	0	0	880	0	0	1777	0	0	0	2968	1287	35723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2479	3372	0	0	0	0	0	0	0	0	0	0	853	0	0	0	0	0	0	0	0	1402	1848	0	0	0	Organosulfur	0.27272728	0.54545456	0.0
26	C11 H6 O3 S1	219.01105	219.01117	-0.17520662	219.011	0	2056	0	0	6046	0	0	0	0	0	0	0	8599	1876	0	0	0	0	4564	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2239	2733	0	0	0	0	2758	0	0	0	0	4448	0	0	51757	8476	4180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4194	2700	3478	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3264	Organosulfur	0.27272728	0.54545456	0.0
16	C11 H6 O5	219.0288	219.02905	0.007674848	219.02881	6291	8149	6025	4623	15344	13277	6151	6833	16798	2634	2237	7586	19419	15574	11389	13904	5651	20188	26258	2082	3257	6772	12177	10892	10382	0	2934	0	4655	5196	8068	5361	7146	6167	5105	4488	6109	8095	7543	1349	0	7844	1168	1597	2040	2459	0	2137	7671	3718	6457	11547	12242	1059	10451	10786	7846	19242	0	0	16582	0	22617	13006	9558	22801	11579	5556	0	0	0	4546	5240	1760	0	8525	1988	6063	12871	4579	8439	3035	1767	0	16213	11663	10837	14843	17429	0	3344	0	0	2387	1897	2208	7678	5246	10805	13345	10162	6708	4348	0	0	0	6040	1094	9197	24283	Phytochemical	0.45454547	0.54545456	0.0
12	C11 H6 O5	219.0288	219.02908	-0.026348807	219.0288	11685	17626	13519	16784	24583	20543	9518	16154	31926	5363	5748	16595	30979	23537	20126	30080	11397	56513	65511	2679	2428	8450	25531	9515	10632	0	10674	0	16518	18779	16034	15290	20045	16617	11042	18471	16454	18863	12630	1717	0	31685	1314	1164	1797	4468	4312	2224	18051	12820	13569	17998	18711	1233	24901	13685	17026	32870	4739	0	32241	1781	39209	24277	19628	47051	27534	12611	0	2248	1633	17790	25048	14397	17755	23132	985	16674	19414	0	17026	3552	1557	953	19091	15027	37223	30991	41685	20017	14521	10883	16538	7838	9122	1900	18006	19621	17877	19688	19175	17842	17146	0	0	14815	13543	1864	12102	44707	Phytochemical	0.45454547	0.54545456	0.0
14	C11 H6 O5	219.0288	219.02905	-0.010145104	219.0288	10141	17684	9207	9794	22139	16629	7549	5633	22908	0	6258	8707	29094	18598	9152	15896	5876	29732	28728	1987	3761	6552	14483	12439	8488	0	6799	0	7959	5269	8609	14139	12074	11390	5754	11267	9887	13975	9415	2203	0	15070	0	1148	1696	4802	0	2245	8257	4855	9337	8762	18793	1121	23808	13558	15307	33662	0	0	23125	0	33321	20544	10854	31353	17540	11281	0	0	0	6700	7807	3636	8149	11322	1062	7897	12270	0	13639	3118	0	0	16758	12521	20281	16888	20723	11630	4517	2050	10811	2727	3715	2473	9261	6759	14592	19657	16851	6758	9672	0	0	9964	10956	1231	15972	30049	Phytochemical	0.45454547	0.54545456	0.0
10	C11 H6 O5	219.0288	219.02908	-0.018910002	219.0288	9003	9162	6433	7703	21324	10987	3519	5245	20800	1758	4906	4841	29489	15481	4776	6189	5881	25718	29535	1860	2004	5564	10601	3548	2977	0	3637	0	4784	3338	3853	3116	9181	4197	5994	4365	7837	4061	5697	0	1986	10807	1411	897	1805	2313	0	1801	4507	3637	5467	9014	14091	935	19558	14592	9250	8870	0	0	0	0	30964	20423	8587	26476	12970	7096	0	0	0	3680	4363	2109	3669	4740	1168	4281	6907	0	8657	2927	1713	0	16231	11178	9979	10360	18654	5031	0	0	5170	2925	2400	2776	9016	8269	14894	21407	16906	5660	8300	0	0	6229	11528	1199	3350	32653	Phytochemical	0.45454547	0.54545456	0.0
8	C11 H6 O5	219.0288	219.02911	-1.4E-6	219.0288	4839	6989	2141	3955	13239	6768	1912	1830	17853	1909	2235	2325	20715	8812	3097	1701	3912	14362	15805	2345	1344	1662	4990	2083	2019	568	1516	0	1770	824	2007	2489	3761	1335	3185	1054	3233	2311	1922	0	1436	6545	1179	866	1460	2007	1211	1423	2168	1756	3276	3717	7907	1171	11543	10710	6379	2497	840	826	0	0	22975	13646	5920	17177	6183	2672	0	0	0	1786	1887	941	1587	1347	844	2302	2634	0	4214	1790	810	0	12218	4919	2914	6891	10433	2653	0	0	2166	1239	1856	2039	2138	3408	9329	16578	10836	2871	3272	0	0	3437	7318	946	1735	20712	Phytochemical	0.45454547	0.54545456	0.0
8	C10 H11 O4 Na1	219.06277	219.06306	0.1609501	219.06282	0	901	0	0	1148	674	0	0	0	0	0	0	0	1273	0	0	0	0	0	0	0	0	0	0	0	0	738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	406	0	0	0	0	0	0	0	0	899	398	0	0	0	0	0	0	0	0	1611	0	0	1079	750	0	0	0	0	0	887	0	29730	1087	0	0	0	0	0	0	0	0	0	0	0	953	632	0	0	0	0	0	0	977	0	0	0	928	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.4	1.1	0.0
6	C10 H11 O4 Na1	219.06277	219.06317	0.4236488	219.06287	0	0	0	0	0	0	536	0	0	0	0	0	0	522	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	505	0	0	0	416	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22537	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	495	0	0	0	Phytochemical	0.4	1.1	0.0
4	C10 H11 O4 Na1	219.06277	219.06345	-0.015199482	219.06277	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	345	0	0	251	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	259	0	0	0	0	0	388	203	0	0	0	0	0	0	0	0	0	0	26419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	266	0	0	0	Phytochemical	0.4	1.1	0.0
8	C12 H10 O4	219.06519	219.06549	-0.048924927	219.06517	115535	134389	77960	120789	174640	102522	76525	70821	209298	91604	98425	90990	234575	113387	85095	100238	105569	215746	254799	102562	114403	118346	112936	83044	58112	44731	71740	63385	85127	81317	77736	97394	117212	71078	151173	79061	118541	84331	123070	92302	111783	118073	30329	28636	45653	90998	87480	42270	90982	68499	107192	121095	159185	29293	221564	168559	124544	98620	62811	79233	94108	63315	231894	199813	89311	198746	105475	112656	69700	57329	86603	70280	81872	69706	79762	104923	32518	75808	110065	56973	106166	81975	69738	52255	187347	111955	118376	116738	163450	110297	70416	80342	88945	93474	95297	44440	110416	121283	191090	231981	223525	126292	103119	84205	62647	73941	164315	30249	70523	248734	Phytochemical	0.33333334	0.8333333	0.0
18	C12 H10 O4	219.06519	219.06541	-0.061584644	219.06517	127507	138848	101951	96867	189676	194494	95396	112837	149906	78312	70187	71304	221686	169760	106368	112367	92111	262960	236685	84790	79022	105174	131006	127846	104785	49438	80005	65502	112810	92948	101394	118108	164441	103005	96766	91993	165600	98208	93845	77162	54767	128458	30355	25423	36019	69465	53877	36461	105212	82927	115758	116867	158220	22765	185420	119810	117590	156126	57384	48077	124385	43865	213261	133177	94518	231381	150293	111245	56277	68927	61317	93165	78863	84170	78172	126358	27299	86471	146299	72703	131476	68981	50472	45621	153949	131667	161300	152832	168358	115754	103596	93618	157267	53724	74350	39172	114100	124472	128832	147829	161617	141287	81496	75126	47469	114837	101639	28047	100662	207642	Phytochemical	0.33333334	0.8333333	0.0
14	C12 H10 O4	219.06519	219.06546	-0.048764262	219.06517	222161	226730	194104	232385	348917	341045	177438	194541	348477	152603	129403	147689	421789	258480	193821	223801	183336	537357	459476	174128	169393	215789	210286	178801	186823	71697	169652	161294	211260	182086	188732	246247	306562	200254	254290	211946	279755	180437	213422	138337	101897	242078	39449	30930	35730	132671	100019	47296	216780	146102	213884	197215	320001	30872	369606	239717	213619	292845	122042	89522	202545	83791	414683	308823	184136	435579	278170	185410	61993	116713	109785	169506	193282	185853	151493	211799	29614	146647	215802	162728	201788	118806	103301	82099	293673	208770	275912	247230	323079	241797	183806	153980	244788	120323	136986	54118	202916	213860	257765	284648	278791	259613	179428	148350	85225	190187	197292	35810	176489	385981	Phytochemical	0.33333334	0.8333333	0.0
16	C12 H10 O4	219.06519	219.06544	-0.036243983	219.06517	173913	200068	170355	187679	297290	274611	146456	152447	269895	120805	101640	117086	360863	296837	160206	206903	180000	468241	434023	131053	113276	164273	176975	178704	139033	57415	135868	101744	170710	137976	159797	186206	249103	152888	171091	160941	229107	154848	182806	112295	82564	195430	37282	33676	41671	93689	71098	47162	183426	130229	178221	186079	281424	33447	280287	191295	177197	255164	79231	72909	192863	61297	344629	233290	133853	388977	239796	170634	78656	98924	92517	156149	160227	135532	132129	180232	35088	108012	215959	119824	169188	108881	88236	67416	244064	185959	255779	249997	269091	244773	154595	149453	207513	88344	100914	50266	173237	170704	202382	220410	251310	228541	130416	98899	62587	176316	193099	32800	163570	409720	Phytochemical	0.33333334	0.8333333	0.0
4	C11 H10 O3 N2	219.07642	219.07678	-0.010845905	219.07642	27413	30102	27047	27881	33777	29501	43795	21613	28431	23539	19387	24846	26720	29178	31227	33287	66031	48383	43771	19033	23223	25694	33068	44165	39230	6845	34918	16257	21703	15283	31273	20736	61718	20062	24479	18026	52808	28617	91092	15452	23831	49858	2397	1740	1735	24675	18698	2195	24867	17520	29404	25389	41794	5189	24784	20124	26950	33093	5998	17707	31552	9958	34684	24129	23627	34164	35497	60604	9079	12043	11048	14136	12905	11106	24221	15370	1253	22580	48028	17395	50793	13176	9393	10618	26684	38726	55482	58668	41282	59480	16593	14363	54223	12926	16875	4259	24572	34506	27749	27439	32932	51187	25739	13891	9787	41614	23020	2099	37113	28311	Peptide	0.27272728	0.90909094	0.18181819
12	C11 H10 O3 N2	219.07642	219.0767	-0.027460355	219.07642	179180	214155	188695	188565	43768	64400	250495	252263	29129	32115	37859	174607	20230	40927	71898	518758	529377	98117	164739	26959	28151	89148	91691	285286	58597	4442	182931	31682	320824	381129	371578	409958	409743	502053	37429	417565	395424	107124	816319	14577	38917	145396	3303	3274	2369	50070	21645	2882	463794	280554	156704	202765	83824	3620	21167	11107	49749	476297	5640	15937	398841	6359	36118	27792	54074	80263	114940	700936	0	21531	23930	290188	538531	421484	683171	433006	1366	117264	136433	46404	134231	23341	13863	11322	28905	46746	254202	174043	217242	563422	108696	63208	207287	22080	21827	3294	177256	218408	19650	20052	17730	385494	159510	15005	0	336742	16987	2103	220744	45432	Peptide	0.27272728	0.90909094	0.18181819
10	C11 H10 O3 N2	219.07642	219.0767	-0.02934717	219.07642	30600	25687	24173	22472	24106	17567	25252	26720	18693	20521	20532	19119	17564	12560	21188	36509	36599	40700	40856	14192	17798	35363	26319	36493	21032	6807	27031	16298	20967	17610	18202	21452	40796	23801	20340	20699	38295	22500	46841	16419	27201	24746	2039	2210	2182	15408	15698	3087	29168	21172	24102	28524	25546	2424	20407	10110	13331	41995	10176	20241	39567	9476	20792	19535	13560	22798	24332	50198	9344	8965	14443	21510	20370	13356	23341	17225	1740	16679	45533	18081	43434	14472	12983	7559	20572	13415	38583	32250	27551	85286	25883	25172	67098	20500	21697	2188	26031	21172	13186	13393	12934	32270	17469	21648	0	37003	15077	1782	29365	30859	Peptide	0.27272728	0.90909094	0.18181819
2	C11 H10 O3 N2	219.07642	219.07678	-0.04340449	219.07642	13592	12798	11377	12434	25180	15429	10240	12605	21304	11530	20406	10441	23608	14426	9791	6454	14392	24446	21785	11690	16541	16535	11743	14446	8802	3083	5346	11353	11685	8875	13648	12103	17423	10622	14741	11200	15337	9382	17452	10132	9750	14102	920	1260	1699	7495	8594	1697	13862	7709	10090	13723	17757	1633	16659	10979	9838	16173	3722	6644	6367	4710	28169	15573	10235	26304	17522	20896	4762	6769	5650	9717	9682	6835	6150	9772	1469	7319	13752	8766	10986	5265	3969	5116	15133	11459	12076	21788	18312	22371	40118	58685	25602	9932	7465	2782	12449	13955	14361	16012	14214	11459	10268	6893	6443	17241	12473	1466	10714	31348	Peptide	0.27272728	0.90909094	0.18181819
8	C11 H10 O3 N2	219.07642	219.07672	-0.018645803	219.07642	30217	41925	25338	34875	33946	25746	29300	36172	29584	31982	25037	28681	38069	21650	25745	50529	57938	51014	54035	23481	23631	50614	35921	48767	29503	6600	35217	17317	31892	27041	32719	34760	50077	32290	33684	29509	53329	30025	71144	22840	42189	29780	2035	1526	1826	20666	23673	2021	45802	36680	31036	40635	36918	1844	29740	16657	22421	47348	16058	20418	50725	11934	34671	30207	17024	39689	27747	64290	9401	14554	16561	30391	26524	15442	26779	26994	1071	25484	48356	27542	36772	15408	14449	13000	25323	17858	52037	45880	37609	119754	35932	31748	92629	21521	28035	1860	39722	30333	22887	24273	20898	45847	23826	23973	0	54098	18967	1734	38111	48622	Peptide	0.27272728	0.90909094	0.18181819
16	C11 H10 O3 N2	219.07642	219.07668	-0.013422029	219.07642	7944	9732	6140	6171	5768	4637	8759	6731	4387	3063	4191	7126	2248	4898	4218	16605	16384	8760	6260	2260	2844	8366	5599	11438	7091	0	6859	3508	8406	4776	5880	5658	14248	9915	3137	7943	13349	5191	20304	3129	4795	6776	1326	2217	1984	3103	2993	3046	8926	4329	7863	6088	7141	1990	3773	2144	4141	19290	1466	4789	11495	1301	3483	7879	3784	8229	10156	20055	0	0	2092	6353	5641	4172	7698	10936	1467	4493	12757	5604	9414	3886	5211	0	2989	3828	16073	16477	10226	36311	10939	11535	0	2826	3329	2786	5577	7640	3481	3600	4191	12409	6299	3055	0	13311	2639	1734	12523	5177	Peptide	0.27272728	0.90909094	0.18181819
6	C11 H10 O3 N2	219.07642	219.07675	-0.031852785	219.07642	26421	30263	26517	27620	26177	17212	20825	30397	22692	25252	20854	18366	21989	13601	24300	45694	36868	40506	37178	15784	21311	34896	22407	39297	23187	7637	23065	16691	26132	21922	27477	29668	40844	23711	27048	23857	37103	23537	55881	16767	24196	21517	1867	1517	1668	17931	22666	1615	36190	21648	28958	26963	29953	1901	25255	13701	17374	50363	10137	20512	46879	14556	31291	18522	13942	26061	23745	50730	8828	15697	13795	20137	19620	13908	21115	26036	1134	18575	33595	19677	27583	15327	12155	10693	20946	21490	42346	34953	29289	104049	20226	20074	71476	18249	19156	1526	25067	23435	15166	17124	18201	33692	23413	18396	9841	38714	14457	1205	30590	34129	Peptide	0.27272728	0.90909094	0.18181819
14	C11 H10 O3 N2	219.07642	219.07668	-0.046106666	219.07642	40779	42653	40672	43762	16622	30150	34549	101115	9355	14666	10379	27649	10570	16911	21025	73487	38786	28536	60401	13668	7569	42334	20247	61920	31069	0	33110	8506	55036	86912	80522	104263	66031	100249	13966	98189	127433	18310	47348	13275	20030	41619	0	2417	1953	13960	6424	2778	74324	61848	36969	37543	26119	2738	7446	5368	17030	108221	0	12936	104303	4747	12133	10904	9010	23500	35079	63107	0	7471	10028	75929	91721	79627	36942	73513	1235	32632	35043	14347	25960	6854	11654	7766	8714	7226	46358	40936	63449	118365	30965	18724	123387	6865	13123	3142	43734	40284	8259	5051	7178	79824	29056	14145	0	99802	4924	1969	37925	19797	Peptide	0.27272728	0.90909094	0.18181819
12	C9 H14 O6	219.08632	219.08658	0.012075016	219.08632	0	0	2257	3895	2175	3304	10091	1152	3047	0	4519	0	3339	3673	1170	0	4610	2367	3028	0	0	0	2562	0	1173	34165	4294	0	3851	0	959	1636	0	1707	0	0	0	1640	3357	0	72265	2218	772	814	1016	0	46143	1099	1197	0	2534	0	3038	1159	4394	1710	2064	0	0	0	0	0	1944	0	4268	1351	2586	87283	30122	0	0	0	0	1615	0	0	1184	1258	12195	0	5192	5300	2530	9770	32319	2911	18808	1334	1632	22175	0	0	0	5925	0	891	1599	4106	1910	4669	14084	0	1289	0	0	0	12328	1188	5467	2878	Unclassified	0.6666667	1.5555556	0.0
6	C9 H14 O6	219.08632	219.08664	0.007911393	219.08632	5425	5732	4328	4922	11660	8872	3126	5315	10160	4115	13416	2417	22768	13734	6307	4561	3629	16159	11884	1718	1348	1694	4365	4325	2837	726	2576	26721	7161	5686	6339	5511	7317	9381	2756	5690	7212	4032	3922	0	799	9613	3178	839	1208	2458	0	1083	5933	5174	4703	6286	9002	2043	12731	8076	6579	3176	2090	1211	4041	0	15680	5891	6573	15098	11841	4819	0	0	0	8715	6824	6906	1891	4503	1127	4254	3179	28695	2611	1588	1854	1421	6536	31698	2477	6898	7129	3317	0	5599	4334	15541	2213	1044	4853	7853	5610	6715	7612	6336	4360	1955	0	4388	8829	874	2306	15819	Unclassified	0.6666667	1.5555556	0.0
8	C9 H14 O6	219.08632	219.08661	-0.016121713	219.0863	5771	5155	5346	5431	13172	9377	3235	4695	11097	1501	10596	2273	13847	18767	5552	4318	4831	11346	12973	1385	0	2189	3765	4391	3554	0	2566	19812	5194	4424	7669	4294	7428	5453	1910	6092	7068	4520	3876	0	0	11966	1267	1073	1373	0	0	825	4200	4016	4969	6309	12559	1841	10244	7203	7522	3165	2457	1140	5807	0	6975	6726	8853	16427	13406	3940	0	0	0	7327	7309	5978	2911	4657	938	5043	2611	40472	2851	1455	2767	991	7813	5956	2934	8086	6978	2626	0	7749	4098	12949	2517	1202	4311	8366	6388	7011	6397	6036	3605	1568	0	3761	9315	1122	2473	11518	Unclassified	0.6666667	1.5555556	0.0
10	C9 H14 O6	219.08632	219.08658	0.03560944	219.08632	3791	3769	3388	1809	11950	7258	2427	2561	5695	0	10532	2109	9729	19715	2859	1845	2600	7105	4633	0	0	0	1961	0	1875	0	1710	16166	3560	2337	3466	3263	3122	2166	0	2621	3139	2831	1387	0	0	6906	1697	1049	1350	0	0	972	2585	0	4052	2825	10356	1808	5035	5803	3253	2622	0	0	0	0	2237	4317	3343	8682	8620	2682	0	0	0	1740	3209	4782	1157	2195	1119	1914	0	25033	910	0	0	0	4769	4503	1710	3069	4663	1593	3085	6191	0	11338	0	1510	2286	4506	4089	3614	3536	3076	2277	0	0	1831	7485	1060	1659	5325	Unclassified	0.6666667	1.5555556	0.0
2	C10 H10 O2 N4	219.08765	219.08801	-0.050660163	219.08765	1191	1447	0	1317	1008	0	5026	1614	1056	889	1977	5311	0	620	4162	1232	11494	1244	1253	538	1248	1868	3540	2287	523	0	0	2580	1631	741	2706	1318	4307	1439	1445	844	1246	4456	13666	1452	2311	0	0	0	0	896	1795	0	808	725	930	938	1390	0	1036	0	931	1598	0	965	1271	760	446	1025	0	1556	1263	13409	0	1050	470	0	925	516	666	690	0	3179	4782	0	3691	0	633	536	773	1154	4145	3379	788	25613	0	672	5175	942	0	0	1062	1225	774	510	700	1110	3936	647	1177	2441	842	0	6116	426	Peptide	0.2	1.0	0.4
0	C8 H14 O5 N2	219.09755	219.09792	-0.12981133	219.09752	8601	9380	11156	8524	39646	116780	1544	29865	14093	1943	0	4387	63349	59912	4865	0	3543	48409	39715	2156	8671	20674	13914	13851	22089	0	0	3726	83192	6043	48336	17972	118182	27877	20285	16595	24915	5995	6519	2146	0	24559	0	0	0	5781	0	0	21344	4772	9558	8602	44781	1613	18378	4455	1851	41007	1392	893	7217	0	112758	11145	5332	39783	99081	5262	0	7334	0	23446	22378	12812	0	16886	0	9478	5042	7488	4616	0	0	0	5529	2797	8813	13917	37195	8669	148131	43634	18038	1444	0	779	9476	9900	4156	3866	3525	12286	7168	2638	0	40678	4634	0	4918	120241	Peptide	0.625	1.75	0.25
6	C8 H14 O5 N2	219.09755	219.09793	0.07499206	219.09756	748	1232	767	0	611	693	0	0	456	0	1945	0	0	0	0	0	0	694	0	0	0	0	0	0	915	0	0	19987	0	0	666	0	0	0	0	0	0	694	1457	0	0	595	0	0	0	0	0	0	0	749	0	655	0	0	0	423	372	0	0	0	0	0	600	0	0	649	1007	0	0	0	0	0	0	0	0	0	0	0	783	4783	0	0	0	0	0	0	0	588	0	0	24243	6346	1054	1812	0	0	1036	0	549	0	0	0	541	0	0	935	447	0	0	0	Peptide	0.625	1.75	0.25
14	C13 H14 O3	219.10158	219.10184	-0.058320485	219.10156	812874	866761	690680	811218	891766	733906	748890	744660	926331	768093	608361	495935	964954	659870	655483	881547	872449	1228819	1085637	1057359	1083374	807448	610748	622549	628433	599391	779808	635973	837778	740770	679261	933503	1248200	797025	1045428	844594	975865	581310	943706	771828	658443	728369	89532	65052	64807	579977	544556	86981	832038	572513	783427	714178	846006	56449	1115252	741841	630613	1055498	540290	565088	812383	463763	1004510	867455	516125	976050	761202	836466	446886	770458	704421	621555	715972	746873	746449	833956	57112	518250	697304	538000	642649	542111	740941	663725	860765	564454	883253	731565	863502	912622	891043	738272	894725	500147	740220	93132	803036	817058	737408	1016925	974897	1050531	572149	797778	355778	692617	703095	66337	620983	865211	Phytochemical	0.23076923	1.0769231	0.0
16	C13 H14 O3	219.10158	219.10182	-0.06115811	219.10156	757784	844500	695644	758229	881783	750722	718377	726612	827033	750914	536190	548866	977619	670573	683981	859453	855966	1224588	1226252	989487	858275	735195	647313	674822	589215	424089	630212	511057	803905	742214	753662	939163	1112287	709831	967139	827063	1066135	585257	914204	695941	555001	733551	93822	73907	91541	537349	496891	89062	978327	664945	770804	793803	869521	73355	918740	672472	570607	1033561	501476	515543	791630	411059	909992	748676	451101	1065159	808367	763337	372768	619708	503072	682696	779464	792912	742426	886696	76258	480279	690365	532860	519057	484484	651469	577784	799711	554115	785199	769532	850097	860094	811084	828735	805720	495966	689773	99296	734268	795721	692001	744655	891480	1031620	519976	674533	316599	717706	674562	71659	654002	1025558	Phytochemical	0.23076923	1.0769231	0.0
0	C10 H18 O3 S1	219.10493	219.1054	-0.015265305	219.10493	1739	3026	0	0	0	0	2687	3805	0	3496	0	10927	0	0	0	3848	983	0	0	3320	2103	0	0	0	0	0	1906	459	4365	0	3238	4681	0	16992	0	3591	2919	0	1700	0	0	2454	0	0	0	0	0	0	4508	0	0	1851	0	0	0	0	0	5966	0	0	7850	0	0	10899	0	0	0	1076	0	0	0	12596	10641	3297	0	0	0	38164	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1710	0	0	0	2386	129557	0	0	2314	0	0	0	0	Organosulfur	0.3	1.8	0.0
18	C10 H18 O3 S1	219.10493	219.10509	-0.20884639	219.10489	5737	6086	5223	3130	0	0	9648	10060	0	0	1505	8417	0	0	8146	20058	35983	0	0	0	0	0	22304	7383	8916	0	11482	2471	7885	8383	8568	9141	9585	0	0	7045	7480	12454	44711	0	0	1324	0	0	0	0	0	0	13016	5013	4330	1755	0	0	0	0	1759	18762	0	0	13959	0	0	0	5314	0	2435	42281	0	0	0	3374	1908	4295	22799	8577	0	6526	27242	1796	31681	1367	0	0	0	2474	24863	2465	5361	65077	0	0	8095	0	0	0	3943	3397	0	0	0	10710	5600	0	0	17087	0	0	35136	0	Organosulfur	0.3	1.8	0.0
8	C12 H14 O2 N2	219.11281	219.1131	-0.10883289	219.11278	83230	96886	75451	83812	42063	47127	71752	64703	25969	78223	58602	57888	22900	45238	43242	125069	123788	48800	61929	80484	85054	77918	49570	122172	47422	63504	82414	66211	58782	90646	94893	131283	156374	109280	89768	77937	177339	54572	171843	64643	94790	65979	1598	1262	1077	56903	52814	1174	139365	54328	67499	85102	55340	957	28128	13640	25527	135773	20779	49796	115276	39468	25116	30998	30438	41953	63647	186698	43129	78344	92846	88037	88029	62599	108442	96941	676	58904	71555	62072	55495	39555	37060	60130	20228	19947	81932	86992	70844	194796	101012	51244	186969	56732	76081	1700	83411	73401	21511	21704	22191	147548	51170	51630	19127	128408	17782	1039	81197	28756	Peptide	0.16666667	1.1666666	0.16666667
16	C12 H14 O2 N2	219.11281	219.11304	-0.07268412	219.1128	6414	4444	4207	7106	4056	3830	11000	5962	2122	3970	6021	6735	0	2311	6536	15340	12387	2908	4954	5372	7667	7387	7332	12981	6687	2271	10973	12084	7805	8165	8161	6650	12989	8047	2567	9251	8255	6688	17606	5124	9869	6708	971	1457	1093	2214	3935	1158	9954	7793	4996	7603	4537	1254	2370	0	3482	14478	4043	9952	9752	1419	1839	2580	3571	3605	4688	16616	0	1752	3109	8355	6918	5144	11888	8556	1171	3595	6561	11162	6255	5295	5765	4862	2926	3462	8776	10773	7006	27780	25137	7421	0	5477	8170	1259	7651	7155	2258	1876	1437	10810	6574	6704	0	12486	1523	1147	8929	2334	Peptide	0.16666667	1.1666666	0.16666667
14	C12 H14 O2 N2	219.11281	219.11305	-0.13258818	219.11278	18518	20556	16081	22547	8532	9414	22348	21577	5707	14145	16252	15135	2499	5676	10715	30764	34037	9341	8033	11513	10263	19598	12145	22992	16740	8870	21849	13347	16328	12912	15549	23468	24052	19217	19128	14637	24524	13576	35510	16389	29910	11215	0	1144	1185	12133	11206	1494	25509	20282	18895	13736	10405	1418	2766	1858	11094	25512	6675	14389	20658	4760	2545	3741	6439	7765	9422	37857	0	10338	16668	19599	17628	14184	20996	21295	830	11823	21673	21093	18255	8260	12739	14594	2605	6863	24222	18245	15942	62089	45556	21223	41528	19737	22865	1212	19941	15300	3756	4068	2473	17172	15682	17160	0	32659	4708	1125	21961	4086	Peptide	0.16666667	1.1666666	0.16666667
14	C10 H18 O5	219.1227	219.12296	-0.029882627	219.1227	4654	6168	4018	6468	7022	4400	6593	2899	3885	0	4161	4751	3232	11448	3291	2258	4658	2055	0	0	0	0	3433	3918	4049	4348	6525	473587	0	4159	2309	0	1599	3269	2948	3637	1916	4631	3856	1584	0	3351	20025	19709	14751	3132	4433	20605	2570	3701	4389	2152	3618	30262	1867	4582	5137	2208	5500	6364	0	4423	3406	2151	10816	7397	6168	2601	0	2963	5732	3476	3627	2889	1813	4566	15773	5890	2702	31347	5379	8499	6204	6664	5446	6832	5311	6004	3934	0	7179	6015	2476	4039	3376	19076	4737	6883	6473	4231	4306	2503	3563	3295	0	1964	5086	20387	3111	5084	Lipid	0.5	1.8	0.0
18	C10 H18 O5	219.1227	219.12291	-0.016496617	219.1227	0	2608	0	0	2340	0	1896	0	2814	0	1932	2377	0	1850	1851	0	0	0	0	0	0	0	1840	0	1538	2449	2371	88990	0	2528	1592	0	0	0	0	2090	0	2616	2569	0	2122	1468	11177	13297	13398	1482	0	14422	1630	0	0	0	2357	11161	0	1632	2940	1217	3062	3042	0	1414	0	0	2560	0	1208	1622	1233	0	0	0	2109	2460	0	0	12106	2835	1655	4484	1705	1949	1324	1470	1907	3697	1373	1960	0	0	0	0	0	1599	0	12909	2624	0	1195	2165	0	0	1173	0	2723	0	1408	13053	1246	0	Lipid	0.5	1.8	0.0
6	C10 H18 O5	219.1227	219.12302	-0.11531551	219.12268	52959	43787	48712	52230	5968	6454	15781	21700	8599	57105	82815	6868	10127	13501	12533	19628	13128	12981	8383	234405	50617	62907	10925	42252	10186	36211	13080	474655	18420	19386	7481	11395	5329	7416	14139	21118	5337	6929	8361	89342	40091	12147	14704	7258	12731	332346	531224	6983	16185	19337	54265	51476	6206	16479	10977	10773	7409	22069	19688	57690	51247	164326	6183	3430	8915	8579	11979	13316	387880	361954	954495	8450	9465	20467	2746	9313	11947	6110	9771	792446	6743	23282	17201	14758	10631	14031	10555	11731	5890	7542	91693	170932	14959	95369	257918	7006	53157	63227	8590	4244	14333	15246	6999	221512	93752	5476	10796	8559	6938	5963	Lipid	0.5	1.8	0.0
20	C10 H18 O5	219.1227	219.12286	-0.02976046	219.1227	2582	0	3673	3040	1971	0	1415	0	1540	0	0	2635	0	1407	1817	0	0	0	0	0	0	0	1197	0	0	1293	1485	515082	0	1748	1384	0	0	1810	0	1486	0	0	0	0	0	1802	11177	13708	9964	0	2529	13955	0	0	2339	2104	2493	10571	0	1878	2101	0	2485	3700	0	1782	0	0	2432	0	0	0	1852	0	0	1756	0	0	1381	0	12310	1354	0	7864	0	1343	1532	0	0	1915	0	0	1255	0	0	0	0	0	0	13589	2284	1961	0	0	0	0	2391	1655	2887	0	0	14860	0	0	Lipid	0.5	1.8	0.0
4	C10 H18 O5	219.1227	219.12302	-0.19695681	219.12265	6878	7882	8922	8337	839	1380	1775	3899	1843	7056	8149	1013	2825	3025	1897	3475	3009	3173	1895	41022	8267	13137	1591	5972	1582	3897	2397	52089	2987	3828	1254	2132	1289	1582	2020	3564	1417	1089	1775	16026	8172	2321	1966	512	1673	55395	115519	696	2049	2392	7409	6468	1242	1507	2158	3159	1399	2718	2831	6855	9173	19686	2125	707	2451	2227	1894	3377	40589	45316	167443	1209	1954	4199	0	2109	2847	1674	1848	103197	900	3158	4451	2193	2303	2261	980	1956	782	1526	15403	23030	3879	10151	44567	827	8235	11556	1659	1999	3107	2657	1159	38975	19109	1049	2496	481	978	1330	Lipid	0.5	1.8	0.0
6	C9 H18 O4 N2	219.13393	219.13416	-0.022218429	219.13393	812	907	0	0	0	0	0	0	0	0	0	0	0	432	0	0	0	0	0	0	0	0	0	1176	0	0	521	4720	0	0	0	0	0	0	0	1051	0	0	0	0	0	0	0	0	0	0	0	0	0	0	635	926	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23190	0	0	0	0	0	0	0	0	634	0	19658	4764	1290	1385	0	0	678	0	516	0	0	0	0	0	0	725	0	0	0	0	Peptide	0.44444445	2.0	0.22222222
2	C9 H18 O4 N2	219.13393	219.1343	-0.10290138	219.13391	54654	54309	51308	62000	6578	56701	1579	12511	1674	13961	78969	1429	7548	5639	1241	2107	2986	24373	8981	1310	964	13260	1599	24260	4104	0	0	236003	20134	8452	15529	15128	23965	22062	5965	9608	23125	1195	4445	659	0	55229	0	0	0	3106	264	0	20399	6233	60941	56357	6217	0	1743	836	926	31342	298	0	4653	0	8865	1250	0	19098	13517	3832	0	536	0	13719	16793	10794	513	7063	0	1860	1857	900940	874	0	0	0	1656	1414	2273	10097	21045	7656	1110995	530941	11983	265810	1458	0	53978	56222	4960	1344	1552	15884	1070	5693	0	19359	1037	0	1242	11033	Peptide	0.44444445	2.0	0.22222222
4	C9 H18 O4 N2	219.13393	219.13425	-0.10333203	219.13391	567	664	551	500	363	336	0	0	328	0	0	0	632	0	424	463	0	0	268	0	0	671	424	0	423	0	0	0	0	0	0	0	724	0	0	0	416	253	996	0	0	0	0	0	0	0	0	0	0	0	958	430	505	0	550	381	0	0	0	0	0	0	431	199	0	0	274	0	0	0	0	367	542	350	0	0	0	255	299	27302	374	0	0	0	328	1934	595	0	407	588	11721	3994	916	2310	0	0	615	417	0	409	659	0	436	0	0	909	327	0	308	341	Peptide	0.44444445	2.0	0.22222222
14	C9 H18 O4 N2	219.13393	219.13423	0.11955669	219.13396	0	0	0	0	0	3884	0	0	0	0	0	0	0	81763	0	0	0	0	3449	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10841	0	0	0	0	0	0	0	0	0	0	0	0	0	9791	8051	0	0	0	0	0	0	0	24448	0	15338	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1216	0	0	0	0	0	0	4031	0	0	0	0	0	0	0	0	0	9756	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.44444445	2.0	0.22222222
4	C11 H22 O2 S1	219.14133	219.14163	-0.011553243	219.14133	8117	7352	6762	7198	0	0	11400	37689	0	0	0	0	0	0	0	35816	20084	0	0	0	0	0	0	4880	1631	0	7249	0	42589	9347	61349	15623	23237	8892	0	25450	19559	0	31444	0	0	3434	0	0	0	1623	0	0	53557	18136	7602	7709	1001	0	0	0	0	33968	0	0	37278	0	0	0	0	0	3313	30856	0	4123	0	10665	7184	3005	24937	22258	0	715	0	0	0	0	0	0	0	500	0	2742	5486	0	9314	3872	0	0	0	0	6755	6649	0	0	0	12897	0	0	0	3291	0	0	2110	0	Organosulfur	0.18181819	2.0	0.0
2	C11 H22 O2 S1	219.14133	219.14165	0.05192963	219.14134	1862	2110	2552	2591	0	0	4089	56153	0	0	0	0	0	0	0	32758	38615	0	0	0	0	0	0	5325	2464	0	2990	2572	50575	7575	52494	8383	10392	7415	0	27361	12192	0	32959	0	0	0	0	0	0	0	0	0	41037	25019	2732	1747	0	0	0	0	0	15171	0	0	26679	0	0	0	0	0	2832	22321	0	2641	0	5596	3591	3195	6695	12289	0	0	0	0	0	0	0	0	0	0	0	1455	2829	0	5939	0	805	0	0	0	3604	3603	0	0	0	8890	0	0	0	4140	0	0	730	0	Organosulfur	0.18181819	2.0	0.0
12	C13 H18 O1 N2	219.14919	219.14928	-0.25617176	219.14914	0	0	0	0	0	0	0	0	0	0	0	0	0	844	928	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1261	0	0	0	0	0	0	0	0	0	1448	0	1782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15391	0	0	0	0	0	0	0	0	0	0	38332	15092	0	0	0	0	0	0	0	0	0	0	0	0	0	1547	0	0	0	0	Unclassified	0.07692308	1.3846154	0.15384616
8	C13 H18 O1 N2	219.14919	219.14948	-0.008787646	219.14919	3807	3408	3331	3992	0	1752	1137	2261	0	8888	5953	1391	0	0	844	4627	2740	0	1186	6911	7122	0	1314	6545	2414	1324	2229	16605	2578	2603	1700	6059	3035	4465	8139	3691	3544	1531	3704	3037	1421	1760	0	0	0	0	1493	0	4264	1124	3809	5795	749	0	0	0	0	3603	0	0	3864	0	0	0	0	1802	1659	4334	0	1705	0	4335	4311	2507	4979	3703	0	1184	0	25130	1518	0	0	2062	0	0	1791	3259	2490	9106	141835	42830	7738	6511	2624	0	3970	4684	0	0	0	3457	1327	0	0	4344	0	0	1107	1142	Unclassified	0.07692308	1.3846154	0.15384616
6	C13 H18 O1 N2	219.14919	219.1495	-0.09932031	219.14917	23640	24236	23020	24008	4579	18421	16234	27920	1795	25402	15914	16210	698	7222	18521	48695	45288	5195	10107	17450	21075	12334	13964	28841	19147	5749	19292	28415	28512	28217	35380	40967	45401	30203	23593	25562	48625	19745	49961	12359	6332	13689	0	0	0	11149	9262	0	47722	23651	24566	24894	7099	0	1916	521	4783	41493	991	1856	45682	4367	2129	2336	6227	4710	17365	85142	4025	10899	11236	26078	27494	20556	43947	27568	0	13741	16505	19163	16939	1547	972	9574	1065	4438	21663	16795	21671	79196	72639	18652	38499	8147	13767	0	20303	18979	2486	0	618	42291	11850	7092	0	38750	1289	0	20555	2810	Unclassified	0.07692308	1.3846154	0.15384616
4	C13 H18 O1 N2	219.14919	219.14954	-0.118274786	219.14917	38997	41824	41345	42014	5353	9655	31142	78469	2891	42277	23231	27031	1801	4826	25140	99065	104004	10580	12743	37887	43931	28980	20255	85708	49103	11977	38815	41281	60142	57429	54851	70894	50761	59983	47940	78595	52996	33623	109604	22012	14488	14813	0	0	0	18081	17034	0	78595	68859	40842	33394	13082	0	3972	666	6250	78387	317	1488	85255	10554	2647	3217	7197	8110	13694	136032	5979	15751	17142	51311	53817	73895	106014	67235	0	26922	40018	60022	34317	2721	1788	19506	2032	6082	37972	24407	21164	168161	69591	12938	137578	18255	31001	0	40372	43028	3356	851	1272	54774	21224	15879	6372	82557	2439	0	51556	3671	Unclassified	0.07692308	1.3846154	0.15384616
20	C13 H18 O1 N2	219.14919	219.14934	-0.27536955	219.14912	1963	1990	1681	1558	3923	3652	0	0	0	0	0	0	7795	2485	0	0	4108	0	1802	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2963	1247	0	3712	0	0	0	0	0	0	0	0	1940	2163	8178	0	0	0	7172	0	0	0	0	0	13549	0	13740	78892	188474	3949	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7467	0	6195	2939	0	0	0	0	0	0	0	0	1497	0	0	3606	0	0	0	0	0	0	0	0	1631	Unclassified	0.07692308	1.3846154	0.15384616
10	C13 H18 O1 N2	219.14919	219.1494	-0.13905287	219.14915	2024	2751	1837	2407	0	0	0	0	0	2103	2412	0	0	0	0	1294	1083	0	0	2478	2026	0	0	1352	996	0	0	5807	983	1049	1158	1346	0	0	2374	1333	1420	0	0	0	0	0	0	0	0	0	0	0	1629	1186	1288	2353	0	0	0	0	0	1376	0	0	0	0	0	0	0	0	0	1479	0	0	0	1358	997	0	0	877	0	0	0	15082	0	0	0	920	0	0	1085	0	952	3690	188195	45542	0	4234	3708	0	2811	1579	0	0	0	1522	879	0	0	2153	0	0	904	0	Unclassified	0.07692308	1.3846154	0.15384616
16	C15 H22 O1	219.17435	219.17459	-0.109498635	219.17432	36561	40057	35928	33022	47172	27203	55048	31732	26985	10065	16318	23545	46888	60354	28802	42181	39905	29596	37537	11015	11775	34013	32294	35164	38273	23207	51828	18950	22511	25131	24738	21296	20004	13203	11380	23267	25954	24348	48959	11852	22367	27395	31178	25611	25897	22603	27938	36249	23856	36302	34997	38613	31526	27436	21240	49631	37224	55304	20843	24107	24936	13901	29502	17842	35537	33113	50967	42694	13455	14686	17537	22566	23824	22872	40727	32234	45887	22082	48559	41082	32983	28890	42933	40500	63035	45058	54902	22185	29691	280565	40752	44731	68257	33679	21704	26365	34348	41981	45937	73962	92603	24436	21365	23486	16007	33048	53498	27931	47064	15589	Lipid	0.06666667	1.4666667	0.0
14	C15 H22 O1	219.17435	219.17459	-0.084645495	219.17432	24286	32222	21269	25386	32172	24047	27216	23648	22107	9191	14254	21409	22548	30817	19714	33091	19971	20836	21052	7792	10263	40937	19548	14534	27076	16487	34056	9711	14944	19331	16068	20307	11214	13307	7319	15255	12563	20119	24697	8118	10972	14070	28553	22743	21165	18345	22779	26227	13954	21418	28756	30456	22809	27105	16526	32034	24624	34507	18578	17439	0	8852	18790	15497	23404	22686	23842	19825	0	11549	9653	16129	17772	17747	23282	18116	28099	17579	33087	24871	19803	18383	22878	21229	42782	28992	28429	14047	16272	229359	32625	46513	91713	30774	23148	22507	30739	22042	29969	62853	61503	13734	17887	16615	0	36587	39714	24128	31534	15610	Lipid	0.06666667	1.4666667	0.0
18	C15 H22 O1	219.17435	219.17456	-0.11508917	219.17432	64380	69650	65231	57020	78271	48326	108502	56440	29112	22759	31630	33203	52073	100192	42696	87947	82492	54839	66042	25105	23847	80214	51496	44147	58312	51760	119522	24358	32977	42440	36469	40929	37949	28762	18178	40331	34474	49216	84289	24233	43849	42940	24996	22228	27063	31694	44294	25823	46646	46842	68980	71890	56104	24460	43721	76365	60480	95011	24370	48157	68606	26261	43422	33926	65092	45147	81413	91537	26419	30348	37820	32748	26433	49052	76470	39622	27936	29503	82202	125278	68561	45393	81241	102439	116948	83787	96386	34868	42698	636804	102697	107473	169802	102243	73558	25599	67753	66365	79445	124101	156435	42300	34941	34764	29249	61769	89561	22338	75879	31241	Lipid	0.06666667	1.4666667	0.0
22	C16 H26	219.21072	219.21082	-0.11731404	219.21071	0	1448	1350	0	0	0	13730	0	0	0	0	0	0	7264	0	0	0	0	0	0	0	0	0	0	1491	0	16319	0	0	0	0	0	0	0	0	1130	0	0	2025	0	0	0	0	0	523	0	2095	0	0	0	0	0	0	1055	0	0	1171	0	0	1683	1589	0	3119	0	3907	1552	0	0	0	0	0	0	0	0	0	0	739	0	0	5330	0	0	2832	5034	0	0	0	0	0	2479	29762	6112	0	0	0	0	0	0	1586	0	0	0	0	1145	0	0	0	0	0	0	Lipid	0.0	1.625	0.0
24	C16 H26	219.21072	219.21094	-0.059102163	219.21071	6971	8054	6799	6279	6803	8403	59598	3980	1874	3956	9481	2536	2044	41618	3703	5342	12083	1756	5381	3398	4810	2075	2029	1425	3568	8923	58643	17881	3711	3589	3133	5041	8694	3186	4479	3660	3205	1658	12835	2596	14536	7634	4792	1966	0	4162	12451	0	3072	6275	7214	7399	4691	0	2583	5692	10608	5879	2523	15728	8289	4303	14022	1198	45112	6209	12485	14715	4872	0	6503	3683	3225	5268	3915	5782	0	1748	2427	30855	1601	8511	13842	18646	1548	3204	7807	4129	7114	13899	40457	19194	7132	3623	5579	2478	6081	8258	7869	2642	3316	6586	2675	9834	4128	4093	3495	0	5510	6177	Lipid	0.0	1.625	0.0
20	C11 H9 O4 N1	220.06044	220.06064	-0.10621433	220.06041	4835	8917	4761	3889	10408	7332	4837	3240	4318	0	2740	4960	4930	7127	3728	14042	8699	7090	5149	0	0	6705	3115	5251	16740	0	4563	3167	5775	4473	6723	6366	9365	4783	0	4189	6321	3727	8515	1844	1634	9136	5040	4237	4307	2251	2627	5869	7022	2451	7573	10939	6551	3281	0	3778	5508	47335	1217	1915	14346	0	3641	3209	2995	6040	6751	12996	2107	2090	0	4845	3694	2792	3775	4346	3704	3162	17922	3079	9194	2844	2381	0	5265	3600	7351	5731	7931	26203	2783	4268	15461	1662	0	3869	5561	2467	4131	5929	4181	6317	5532	3095	2405	5169	2036	4987	12355	8191	Phytochemical	0.36363637	0.8181818	0.09090909
12	C11 H9 O4 N1	220.06044	220.06071	-0.06337292	220.06042	24070	29162	27004	28077	34636	28007	21266	22100	33366	10729	9473	17083	33367	25116	22417	43220	35098	54930	48221	8234	8091	35083	24141	27869	22775	2034	23965	0	18527	17685	24175	23077	34189	26526	17034	18671	39475	21357	38489	9766	9720	31118	3621	4048	5572	14619	7581	5984	27514	19067	25047	32356	31424	3621	29957	20934	20902	43933	7133	10606	27435	3407	50689	27288	20626	43484	31576	32061	0	4460	5723	23195	15331	17788	27298	23373	2593	17432	27860	15268	26887	12251	9505	6433	30524	23145	33073	33455	35186	54691	23304	27573	47799	9401	15566	5961	24050	31469	24967	23429	23050	37603	19534	12954	0	33795	21263	6452	25073	56513	Phytochemical	0.36363637	0.8181818	0.09090909
6	C11 H9 O4 N1	220.06044	220.06076	-0.015119455	220.06042	13742	16230	10272	13385	28371	16198	12045	10878	23748	6926	7610	11836	26872	16448	12741	17483	16996	31669	26162	7600	9302	18961	15477	14752	8906	3962	10188	4811	12193	10301	10732	15140	21347	13302	12033	8671	16737	12418	21973	6624	6856	17929	3140	2876	4140	12035	7993	3480	15106	10350	15081	16448	34514	3724	25784	19391	15069	19492	6691	11020	16766	4649	28848	20460	12026	29836	19001	26058	6500	6411	5468	9529	10497	9157	8462	12405	3595	7921	14479	4631	13167	8890	7327	4716	19320	16637	14934	20993	19321	24387	10146	10936	28492	6178	6350	4826	14555	13566	15363	17922	21742	17329	13129	7763	0	13025	15921	3315	10979	36864	Phytochemical	0.36363637	0.8181818	0.09090909
10	C11 H9 O4 N1	220.06044	220.06071	-0.053976607	220.06042	28134	28395	23497	23956	44497	28419	25857	23995	36276	11824	12029	20798	40647	30900	23529	42802	33372	55058	51157	10305	12260	26853	30930	29690	23041	3136	30933	10559	24109	18614	21936	26931	46893	23392	14205	22440	42637	23833	40118	8897	12905	25124	4854	3932	5591	14885	10595	4981	28250	19443	27942	27186	37054	4621	39163	23288	21512	42975	14038	14472	43000	5520	42384	34880	19140	45164	29759	43842	0	7142	6513	22718	19281	17606	28288	22071	3400	19522	41762	15444	37777	10641	10375	4951	35836	24295	50058	43448	33361	53443	16394	22467	55676	13523	16850	6805	25878	26682	24938	29723	31085	35104	20798	16790	0	35724	28278	4616	26307	67091	Phytochemical	0.36363637	0.8181818	0.09090909
8	C11 H9 O4 N1	220.06044	220.06075	-0.032824285	220.06042	24563	25568	19283	28224	38838	23034	21843	23039	34862	11595	9001	18846	46803	22114	21749	33539	32177	50644	46844	9987	12102	26298	24792	31672	16570	4504	20135	8970	24139	19441	22211	28209	32454	19513	19089	19884	33497	21954	41136	9109	12308	25815	4361	3093	4654	11934	11214	4249	22405	21188	21359	23988	29997	3444	40789	21614	21289	34815	10463	11617	31510	5150	42824	40498	20800	40635	24520	38906	6158	10963	5873	21009	17666	13623	22833	25377	3039	18639	28989	11446	21082	10630	11120	5388	28177	17371	31840	35425	35751	61046	12659	15072	52143	9035	10323	5065	23890	28455	28953	33014	31816	29923	19727	12300	0	30856	23892	3147	24100	52841	Phytochemical	0.36363637	0.8181818	0.09090909
14	C11 H9 O4 N1	220.06044	220.0607	-0.04535315	220.06042	22482	26840	22821	20549	41091	66045	24749	22624	24184	10019	7919	16594	30185	45606	20664	34556	27792	42683	53431	5003	6273	22479	19734	24045	21628	2395	26619	11188	17089	15831	24579	19340	36847	20250	10659	12832	45338	13847	30151	7483	8842	23599	3901	3922	4064	13293	5947	5012	31333	14191	22146	24227	36339	4165	14726	20937	20774	38646	0	13408	33238	4353	35244	23476	15918	42768	27952	28668	0	3629	7199	22845	17978	13138	18849	18131	3184	16847	30710	0	28642	13112	10653	7879	26113	17321	36072	35373	38149	41573	22970	18088	47526	6872	10074	5279	24572	26446	21804	23594	27633	24259	17730	9503	0	39483	18802	4101	31118	32088	Phytochemical	0.36363637	0.8181818	0.09090909
2	C8 H13 O4 N1 S1	220.06381	220.06418	0.023704473	220.06381	1852	2685	1350	1844	6698	29999	959	2090	3096	715	1022	1318	3784	2197	1435	623	2631	3447	3294	889	1547	2311	1350	1582	1259	0	0	0	1484	700	2465	1656	4502	1638	2324	1697	2915	1171	3125	630	0	0	0	0	0	1394	946	0	1761	926	1297	1435	6009	0	2184	1694	1532	2852	1094	688	1031	288	4622	1830	0	14315	8843	3130	0	407	0	1162	1719	1351	0	1745	0	607	1336	0	1219	1090	986	0	2711	1563	1400	3585	3899	2327	0	2796	3864	643	0	0	1416	2269	2066	3136	2217	1501	746	1081	1171	4090	2093	0	1249	6681	Organosulfur	0.5	1.625	0.125
10	C10 H9 O3 N3	220.07167	220.07196	-0.021095196	220.07167	9911	7347	6433	6608	4981	6136	3874	8971	3940	3300	1628	4234	4290	3388	3543	13956	10611	12914	9620	2680	3666	10217	6070	12637	6760	0	7569	0	6024	5996	8912	6474	9535	6111	5102	4972	14025	5108	14741	4461	8166	5674	0	0	311	3127	4053	0	10621	7759	5639	6830	5539	0	4614	1646	2500	12621	2514	5622	9489	2964	5435	5574	1844	6249	6805	14085	0	1496	2288	7784	4933	1763	7583	6366	0	5042	8508	0	8292	2674	3870	2475	2264	3031	9640	10893	6578	33611	5644	5717	27785	2651	3055	0	5284	6485	2158	2949	2458	7416	4168	4925	0	15611	3043	0	7149	10994	Unclassified	0.3	0.9	0.3
6	C10 H9 O3 N3	220.07167	220.07199	-0.010284064	220.07167	18784	20093	16913	18586	11958	9212	13406	20217	8118	9603	5003	11919	7204	8555	18241	46335	21222	16539	16420	3761	4857	30993	24622	50689	20707	646	11121	6317	13448	11955	15978	19841	25517	18514	9172	16200	21399	16771	32457	4087	6900	14699	0	0	0	12217	4961	0	21897	13788	18651	17328	13928	215	7893	2589	8033	64912	2581	6285	45791	1772	9303	7519	7200	13634	17796	34886	0	5613	2694	13558	10665	6744	11209	12404	0	8756	30149	3893	25450	4145	3279	1953	6212	7817	36503	26147	17482	114305	10542	7908	90641	3393	3560	372	19414	14507	5318	4314	5548	24319	12806	6353	0	57077	5136	0	25071	15254	Unclassified	0.3	0.9	0.3
12	C10 H9 O3 N3	220.07167	220.07193	-0.004591758	220.07167	4233	3622	2858	3444	2285	2684	3486	11556	1417	1541	0	3471	0	1385	4296	7999	6809	3461	4003	1394	0	5690	4228	9371	2174	0	1498	0	8603	4422	8645	6196	6320	5918	0	4248	7129	3415	9861	2028	0	3771	0	0	0	1657	0	0	7527	4432	3432	2723	2844	264	1783	951	1096	10087	0	0	0	0	2935	1899	1639	3231	2875	11498	0	0	0	4154	4288	4339	3040	7475	0	3267	4791	0	4778	830	0	0	0	1086	8157	4988	6237	23839	5327	7139	14586	0	0	0	3224	2772	1379	0	0	2946	2259	0	0	6740	1198	0	7912	2299	Unclassified	0.3	0.9	0.3
8	C10 H9 O3 N3	220.07167	220.07199	0.004392437	220.07167	10956	11884	6813	12084	12351	8441	7679	10997	9502	5146	3828	9434	7854	4223	7466	17945	20525	11233	12574	3111	4604	14987	11987	21164	9261	703	9454	5196	8923	6574	7657	10595	11890	12591	7548	8911	14402	9848	23647	4084	8468	8919	0	0	0	6032	2981	0	11583	8198	7485	13082	12590	426	8535	2531	5980	16433	2251	6180	14687	2710	5357	9383	4082	10066	9852	22462	0	2079	2862	10125	7794	3606	10218	8911	0	7723	16274	2864	12041	2705	3082	3040	5992	0	19254	13420	8506	48230	0	7276	38257	2473	3185	0	12640	9833	7029	4319	3935	11281	6306	5230	0	17569	6209	0	17560	11804	Unclassified	0.3	0.9	0.3
2	C8 H13 O6 N1	220.08156	220.08194	-4.54961E-4	220.08156	17040	18666	14699	17595	26822	28419	9024	24752	16083	4947	2550	13604	48753	19180	11931	4349	16072	41680	29427	4800	5940	19539	12884	23785	6168	607	1463	1957	29800	14254	26800	23970	46990	35595	9430	23687	35281	8513	15893	3883	1636	23089	1051	460	691	6330	1643	596	28618	12761	19383	19464	29015	1265	19139	8601	6754	33731	2575	2012	9341	479	37290	14640	6210	44887	32526	17675	893	2604	1108	41386	35254	20505	877	19867	454	12955	8961	0	8260	3101	2344	974	9633	6772	10051	38422	33955	15164	9281	9214	31162	1698	786	852	16865	19968	9866	7215	7945	27165	12598	6745	1571	30352	7661	654	8090	56943	A-Sugar	0.75	1.625	0.125
12	C8 H13 O6 N1	220.08156	220.08177	-0.002828535	220.08156	0	2112	2059	0	0	1027	0	1188	1063	0	0	0	0	949	2545	2401	2523	1741	2045	0	0	0	2216	0	1843	0	1390	0	0	1458	1680	1828	1679	1307	0	1312	1937	1455	2483	0	0	1794	590	1161	1450	0	0	992	2771	1908	1820	2408	2050	1155	1699	0	1873	1847	0	0	0	0	0	0	717	3129	1424	0	0	0	0	1402	1710	1947	2178	1626	957	2863	1568	21387	1305	0	800	0	1395	964	1700	2106	1329	0	0	0	0	3306	0	888	0	0	0	1006	0	3143	1995	0	0	3426	0	1116	1509	1365	A-Sugar	0.75	1.625	0.125
0	C8 H13 O6 N1	220.08156	220.08192	-0.16869764	220.08153	9835	9418	8157	6780	17729	26269	1818	13565	7427	3281	0	4644	28705	14271	3321	2036	3937	30311	21081	3510	6147	11929	5082	9304	4121	0	0	420	18365	5076	9240	12056	26801	27020	5462	10167	22419	2713	5107	3180	0	14766	0	651	732	4478	0	0	14684	6803	8485	8751	16908	1941	8690	3849	1741	20109	1419	876	5125	624	33348	9343	2260	19673	23601	3970	394	1538	0	26411	24567	8722	0	11133	342	5945	3851	0	3074	1149	0	0	3696	2913	4072	21326	22446	3697	5633	7741	12458	0	0	604	8474	8398	2728	1646	2092	11029	2667	3896	0	16818	3416	507	2756	51496	A-Sugar	0.75	1.625	0.125
10	C9 H9 O2 N5	220.0829	220.08311	-0.081518024	220.08289	10356	9835	9998	8271	1336	0	2292	5738	0	0	0	2703	0	1967	1489	88335	1494	1901	0	0	0	6385	5575	38845	13924	0	0	0	27809	7363	6098	26286	5855	39395	0	19904	8309	2475	1092	0	0	4415	0	0	0	4750	0	0	10705	12267	7805	8009	858	0	0	0	0	150789	0	0	64526	0	2039	0	874	0	2384	13988	0	7529	0	9577	11111	8294	4688	4984	0	8097	3542	0	8161	0	0	0	0	916	5737	1878	2238	38116	3910	6758	25926	0	0	0	10917	8022	0	0	0	5284	4515	0	0	114705	0	0	42264	0	Peptide	0.22222222	1.0	0.5555556
12	C12 H13 O3 N1	220.09682	220.0971	-0.070451565	220.0968	119605	151752	136977	140705	73015	67752	114523	120807	65135	113553	91185	70897	56064	43073	79416	214315	165409	115140	112256	152036	132256	197137	74807	174713	92947	50671	130776	67186	115079	126346	104200	148312	168364	130073	116114	126660	188965	84539	200360	112929	194228	96989	6208	6922	6912	97821	104218	9227	174826	116025	137608	148844	96497	6561	81140	40874	56622	190191	58200	101438	162500	63496	81256	68451	43867	96156	83676	173336	47512	67399	84514	112182	105290	108970	187651	143084	4435	78039	101016	75918	90250	75605	89073	74032	42038	59047	112978	120482	102806	303923	178862	153478	257765	89474	166149	8826	128738	146125	53938	47656	44607	206891	81733	118521	34875	148317	54298	6266	110757	97126	Phytochemical	0.25	1.0833334	0.083333336
14	C12 H13 O3 N1	220.09682	220.09709	-0.07013762	220.0968	132622	121216	108943	132753	86485	79043	114111	110435	58388	110971	87723	88692	44375	56646	72926	161082	153963	111823	110493	109697	109652	151054	63345	116124	90233	34835	115259	79991	103712	101248	109141	160664	185471	143700	112897	112801	197257	60814	154836	127158	189309	84619	9700	7182	6629	79406	91301	8072	156223	86413	128347	103968	98656	6427	55755	32491	66611	214854	59858	105216	119147	56136	60999	67090	49147	98023	91154	162093	21771	41482	66573	125468	112461	90143	110950	132011	5548	71640	90523	88381	71122	64362	97640	96349	44661	48377	98152	134507	133973	253081	141708	130600	216509	90858	133320	8707	122447	101313	46219	39367	38690	151177	81897	106406	48272	177251	47134	6716	111374	71846	Phytochemical	0.25	1.0833334	0.083333336
4	C12 H13 O3 N1	220.09682	220.09718	-0.048532315	220.0968	73352	82327	71228	75361	79391	46196	54679	87657	73600	68183	48948	58930	73028	39204	53980	105954	120393	104987	112923	77130	94826	113777	60411	108011	44767	46950	58827	46430	69690	57485	77089	76587	108367	70253	92961	69048	96819	53859	123923	64820	83601	69264	7281	5551	7418	63426	68033	8638	85760	81449	84454	62089	74902	5799	89057	44843	48593	114280	26896	64935	98050	40843	83242	75119	34827	80421	50481	116970	51257	62640	80966	61214	73526	66690	80214	72369	4746	55239	67949	38229	62136	44692	45958	40409	57824	53110	72883	79815	77259	148452	50136	47980	152433	48348	66446	12968	69689	86632	59540	57557	60261	100911	66441	67293	38360	84046	51690	7567	63291	89347	Phytochemical	0.25	1.0833334	0.083333336
18	C12 H13 O3 N1	220.09682	220.09706	-0.056221306	220.0968	26234	32630	29413	23171	23953	21123	27066	41606	14154	9968	16878	22537	18739	18314	23489	46335	47583	31301	34903	14357	13958	32183	26288	53210	27396	3978	28071	18239	32594	34702	32477	37929	58474	38177	14307	36555	61720	26786	59043	14029	17720	32306	6615	5733	7705	17167	16417	7483	38673	29679	27960	27264	24894	5355	18024	11538	20750	53095	15626	20683	44850	8688	17516	20398	15186	27723	31216	50334	6826	3291	7238	35788	27625	25620	32793	41624	5382	24017	31439	31368	23038	17913	19852	9495	17527	16190	38812	38332	34037	82855	26126	34348	68137	11763	11931	8466	32841	28719	15814	12680	12904	46064	24704	30982	8384	44877	11437	5555	32736	21936	Phytochemical	0.25	1.0833334	0.083333336
2	C12 H13 O3 N1	220.09682	220.09718	-0.056020815	220.0968	71019	66309	51986	60185	90581	53145	38152	66321	85094	59749	56251	46532	104372	49687	40527	52067	71753	105792	107090	62989	83124	78661	46430	56598	29415	39574	33914	34964	64585	48741	57553	62454	95842	54756	79942	56970	83627	37608	80300	54491	63669	72225	5501	5152	6617	38677	48847	6904	66650	42837	56298	62769	79374	5207	105637	51968	43093	69392	18422	42739	53931	28960	108505	99011	35152	95643	70225	80912	48847	60246	75389	54392	64552	53622	58586	56740	4619	41843	39005	28290	33186	30060	24505	30602	61859	42411	40282	89500	85150	77056	48204	47436	98936	38349	46816	10216	60755	68007	59263	69991	70021	76328	50175	53065	31012	77113	54762	5426	32377	135432	Phytochemical	0.25	1.0833334	0.083333336
16	C12 H13 O3 N1	220.09682	220.09708	-0.06975526	220.0968	70336	66085	64229	74708	69135	64444	65603	79910	44116	37483	49062	52501	46671	54764	59147	109084	94125	95730	87121	45466	45652	80087	53195	106446	66087	11301	68405	53838	85646	70261	73635	84335	132768	85257	47573	81665	136628	48978	119777	49921	68151	73114	7064	6320	7755	47647	47221	8368	104913	70770	79291	79405	94600	6507	44663	25808	47969	119212	34583	62892	91028	25473	48549	49935	46517	78688	66715	105068	12587	21199	17003	79308	79672	55927	68742	79901	6734	43616	78296	71399	42449	42279	48286	35297	34864	59974	103987	96843	78926	172971	104031	86611	137501	44311	57535	8834	57509	63244	42794	31115	31391	126662	49306	64376	18276	105222	42738	6615	74864	65878	Phytochemical	0.25	1.0833334	0.083333336
10	C12 H13 O3 N1	220.09682	220.0971	-0.063251354	220.0968	117247	110361	98534	87008	85898	69552	82734	118892	75193	90948	59785	77937	78106	49080	78051	148509	138575	135113	149960	106290	113644	134434	84876	137468	91766	68620	113898	65084	110244	94878	89010	124553	160302	108976	107405	96290	155220	70546	170833	105918	135475	90494	9088	7614	7526	83681	75307	8127	122630	89640	111679	111957	155886	7326	101937	46693	64786	158225	68911	95373	153264	55974	67470	98743	44383	114063	81361	169829	58679	95903	94818	95523	95368	85744	115196	97404	5945	69241	103958	77790	83420	71535	81991	55521	65596	72900	122369	100591	115879	203400	98116	99407	184312	85475	142806	8791	104757	111383	58976	58120	53398	145233	75317	96460	37253	127337	57091	7736	98537	101648	Phytochemical	0.25	1.0833334	0.083333336
8	C12 H13 O3 N1	220.09682	220.09712	-0.061858606	220.0968	88082	100794	65383	90609	59187	52884	73408	85906	61075	69426	53695	62188	54844	38416	63463	120895	114233	80628	109348	87392	101345	117266	69956	115016	63554	68282	73501	48111	85830	71098	77371	96974	109507	81852	92823	81076	125385	66862	145523	87317	110629	70014	6304	5725	7051	75508	75811	6676	102042	76580	81131	89939	65971	6177	80522	38575	48730	96695	49507	80304	101805	51353	65961	68026	37633	69279	55747	134239	54897	70925	83097	76187	68825	62876	73570	95340	5019	61230	90934	63419	65990	62009	70093	63662	47250	38813	90828	78276	78498	174391	80916	76628	143271	76284	93434	6875	86285	88873	53862	49830	48001	115141	61266	86002	25994	99249	50202	4926	79111	80137	Phytochemical	0.25	1.0833334	0.083333336
4	C11 H13 O2 N3	220.10805	220.10841	-0.09133278	220.10803	12343	13715	11610	12165	8020	6032	9866	19348	4769	17026	15008	9232	4417	3579	13866	26147	20307	9558	13655	16337	20311	21996	11682	26693	22461	4130	7570	12997	12717	9512	11908	10803	16161	9744	19676	14814	16298	11793	23789	12046	17432	9347	0	0	0	12566	15009	0	14889	15162	14641	11506	8775	218	6226	2948	6493	17846	5165	11945	18973	8865	8070	6320	4992	7985	7026	27629	4595	5535	7507	12518	9829	12937	12955	10205	0	7713	15123	11544	12991	5670	8082	9480	6250	7696	14155	11147	9857	40428	20884	9947	41123	12249	18280	0	11039	14319	4711	3833	3858	12784	9587	15093	6712	22728	5568	0	14737	6701	Peptide	0.18181819	1.1818181	0.27272728
6	C11 H13 O2 N3	220.10805	220.10837	-0.091361016	220.10803	18481	18368	19757	21357	8727	8824	20118	23414	6753	16106	10136	14855	4928	4672	15366	33590	25459	15358	19524	17446	17872	29941	20494	42478	17185	5646	17643	11570	18363	18895	20926	21369	29687	19955	17217	18839	26635	18499	37806	11674	20414	16005	0	0	0	16678	14259	0	26728	19213	21658	17803	13409	0	9845	2600	7904	31103	8210	13967	34586	8648	7220	5695	7132	9589	13654	32097	5871	11355	11566	19042	15611	16721	14760	19769	0	15140	21283	12774	18734	7278	10781	10766	7366	9219	30163	18302	18463	73369	16351	13059	64831	12358	16636	0	19739	19519	3812	2881	2781	25148	15988	14994	0	38586	4615	0	21385	7886	Peptide	0.18181819	1.1818181	0.27272728
2	C11 H13 O2 N3	220.10805	220.10841	-0.09122964	220.10803	19415	20831	17458	19238	20439	14940	13902	20083	12406	32246	30707	12031	12650	7324	13432	14681	22247	23075	26446	24465	28463	25849	15079	30681	16995	4975	9447	30273	19700	18066	19786	20405	30955	17451	33122	17216	26647	14801	29984	17179	17642	16157	232	0	0	12291	13630	0	27435	15879	20118	18846	19940	481	12569	5091	9695	27410	3128	9656	18845	8331	13976	9629	10930	18463	20117	33911	3678	9142	7228	18037	18096	13985	20276	15685	0	9047	12934	13433	13954	6322	7072	8902	8069	11064	14802	26227	20800	47794	18970	14719	47839	12057	10190	0	19917	19990	9908	5732	6450	28379	10738	16613	5945	30801	9497	0	18872	16092	Peptide	0.18181819	1.1818181	0.27272728
10	C11 H13 O2 N3	220.10805	220.10832	-0.11236259	220.10803	21818	22843	22942	21123	16449	127278	53885	19136	7827	5321	5567	18116	1779	14976	14974	33083	88916	11552	8432	7646	9274	12711	10897	24112	25093	2160	46888	9866	17387	13230	23142	20197	73166	19991	7023	13060	60873	16693	125929	4440	10109	34233	0	0	0	5916	3502	0	41790	13897	20690	26876	37480	0	4275	1285	11923	45923	2293	5891	24353	2150	4530	5806	16425	24215	32572	131333	0	3738	3589	11836	6221	7594	21263	9721	0	13465	15825	0	19094	3207	4232	3533	5725	20143	28879	67985	38570	65516	9070	5481	33884	6167	4764	461	26351	19021	8567	2658	3948	85635	15563	7870	0	43373	3590	0	29859	2990	Peptide	0.18181819	1.1818181	0.27272728
16	C11 H13 O2 N3	220.10805	220.10825	-0.10285603	220.10803	2424	1951	4511	4769	8097	0	1035	0	1577	24101	68750	0	3298	17649	0	0	1447	0	0	1859	0	0	0	0	0	0	0	180126	0	0	0	0	0	0	10243	0	1762	0	0	0	0	0	301	0	0	0	1957	0	1731	0	3787	2026	2661	420	0	3622	2186	0	0	0	0	0	0	0	873	4858	9020	1589	0	0	0	0	0	0	0	0	0	0	0	7309	0	178081	0	0	0	1334	0	0	0	0	0	0	0	1652	0	0	1884	0	7854	0	0	0	0	0	45123	0	12868	0	0	0	Peptide	0.18181819	1.1818181	0.27272728
8	C11 H13 O2 N3	220.10805	220.10835	-0.072165385	220.10803	14720	15830	14083	12879	4071	4288	16573	19838	3364	10451	8281	15080	1919	1646	15221	35239	28640	7271	9339	8869	11924	21024	14529	29546	16063	3532	15673	8866	16044	14823	18307	16636	20479	16168	12762	16871	22028	14880	35682	8718	11860	9484	0	0	0	8799	6416	0	19031	19746	13201	11835	7677	0	4413	1322	5548	19184	5548	12342	24764	4725	4332	4115	4152	6366	7757	30474	0	4839	6238	15081	16060	16408	16045	18045	0	12692	19195	10079	16051	4914	9265	6681	2901	4259	18132	12997	10868	56800	17228	10187	46028	10752	9721	0	12416	11794	2661	2089	0	19275	13434	10138	0	23147	3645	0	20875	3152	Peptide	0.18181819	1.1818181	0.27272728
8	C9 H17 O5 N1	220.11795	220.11826	-0.055193838	220.11794	6490	8767	9037	11501	12162	13616	16123	16857	6622	2534	5635	7482	26286	184998	15255	12996	16196	20588	20318	5888	3115	3860	11516	8807	7217	5964	13057	4837	21127	13840	10214	14083	13484	10436	2539	19802	16141	10926	12112	0	5385	23568	19514	1056	1071	3859	4555	842	14787	12961	10401	11183	12674	8279	9446	12686	6988	7029	1938	5815	15140	1568	47270	8911	98138	19706	37101	12283	7390	9315	4152	8105	14385	18455	11689	14567	889	10440	5208	7282	6232	4542	22760	25827	9213	10537	7162	9508	11514	3567	0	0	9471	2497	0	3667	9835	17279	11990	6332	9435	14179	7339	4942	0	12288	10217	1156	4985	18341	Lipid	0.5555556	1.8888888	0.11111111
12	C9 H17 O5 N1	220.11795	220.1182	-0.008494935	220.11795	2877	2546	5089	2669	2601	6263	11528	6553	3079	0	0	4280	2114	8504	11321	0	7419	6553	2790	0	0	0	2423	0	2542	0	3119	0	14202	10782	145940	7355	10322	8933	0	10735	10880	13082	5403	0	0	4735	881	1153	1666	0	0	1356	13444	4242	2339	3406	3130	1343	2165	2490	3214	2706	0	0	0	0	3688	0	8098	6177	5997	0	0	0	0	9174	5987	11685	1106	5623	732	5921	2001	0	1470	727	912	0	3055	3670	2453	3385	4143	0	0	0	1998	0	0	1082	2738	5850	3056	1977	3920	9046	5170	0	0	4949	1680	1107	2009	1844	Lipid	0.5555556	1.8888888	0.11111111
4	C9 H17 O5 N1	220.11795	220.1183	-0.06770418	220.11794	24660	26749	26920	26137	16216	21388	0	14805	18230	5326	10235	19333	28979	135042	13113	26492	56672	34356	17293	6727	5080	9094	19354	15614	12950	2590	30768	11785	15644	16074	15954	15448	17195	20284	5191	17621	21220	16781	69098	1935	5520	15562	11567	663	920	6387	33497	1001	23421	23484	26404	17358	15625	1752	19971	24779	33217	19361	4507	7707	20860	3384	41904	14062	144748	36154	35517	88420	15308	6043	7060	19380	16738	21216	18805	12880	1016	12583	20691	10670	21580	13565	8019	8716	19754	44848	59837	35041	14645	129605	6991	6645	30366	2821	5259	2268	28975	24257	74065	18573	23837	19616	17558	7469	7705	13064	40667	944	16829	35059	Lipid	0.5555556	1.8888888	0.11111111
8	C13 H17 O2 N1	220.13321	220.1335	-0.08127864	220.1332	97381	108443	84866	94417	72225	47801	75907	122042	37225	76075	51569	77811	37625	75591	72036	191493	148140	56200	105883	89679	100869	129314	74734	178667	82642	44313	96094	44365	109643	87436	95468	135958	144870	122269	98227	106435	155770	71040	187994	59585	71929	71751	2285	1073	1425	55989	45794	1422	147674	95826	94854	95489	66180	1330	49101	24566	37431	158583	8329	31269	152842	29092	31084	45561	48185	58892	65531	191466	30303	48438	66195	113366	105540	74501	114764	115040	1143	70268	93663	57556	63094	21315	16620	52978	28445	30067	110897	82808	89880	329868	84893	35845	309934	45975	70825	1637	96579	93933	29233	21904	24127	144489	67267	52556	12164	163526	45743	1180	101097	46620	Phytochemical	0.15384616	1.3076923	0.07692308
14	C13 H17 O2 N1	220.13321	220.13347	-0.079547	220.1332	64212	76630	60061	69318	22214	21247	46072	35470	13492	179946	126526	35320	7015	9971	18993	60940	64960	19977	17564	137052	166797	111656	17913	42793	27416	69708	51554	84482	36755	36062	39264	61905	49316	60112	152001	44035	68074	18806	83098	134801	221016	25881	0	1429	1193	54467	119609	1603	61734	28478	71171	61742	22635	1400	10763	4910	19410	69610	37729	115645	53339	66253	12514	13101	9504	26283	21040	81601	41704	66999	113002	44868	44427	32268	54801	45547	1116	27961	29825	84654	20960	53322	84056	126177	8566	12953	39280	40180	32068	103531	108239	103805	64825	101908	182072	1367	79476	53986	10272	5896	8209	48530	29672	90212	20287	50019	10474	1351	37106	9949	Phytochemical	0.15384616	1.3076923	0.07692308
16	C13 H17 O2 N1	220.13321	220.13345	-0.058118407	220.1332	34465	31480	24351	32518	17804	11595	22827	22230	7739	69491	44763	18530	3519	10436	17357	37028	43958	21697	18281	58952	65183	48963	9476	24726	15714	39635	23624	46650	25420	26230	22244	35438	35477	26163	61572	30265	32853	13665	55239	54319	78918	16948	13640	1615	1655	25040	47489	1955	37838	21764	34026	31164	17902	1779	6691	3872	11722	37351	16478	52591	30935	30468	10814	8273	12519	12690	17157	44888	37387	50207	63201	26522	26066	24151	33315	31100	1333	15673	19537	48701	11223	29405	31546	39056	8120	7727	29492	21766	20344	59401	56428	53458	0	49461	70427	1836	26259	26511	11665	4690	4492	35988	15802	38365	17576	28642	9398	1732	22434	11668	Phytochemical	0.15384616	1.3076923	0.07692308
10	C13 H17 O2 N1	220.13321	220.13348	-0.09582201	220.13318	96111	88317	80352	77809	41817	42217	66929	101785	18183	54195	35462	53004	15591	16448	57063	214016	121732	70056	59498	73504	84889	165239	67658	184695	126324	68188	95728	34320	74807	68001	75152	84403	118308	84507	68657	69344	102773	53116	160491	67275	82143	41832	2771	1272	1730	65174	59011	2027	121876	62843	83025	88627	48002	1551	23360	6454	19855	216410	13427	46049	175991	30082	28640	19383	17737	55851	49706	162549	55815	72098	85764	76310	66587	46881	100747	73406	1354	50162	95939	65961	59666	38426	32784	40972	16999	23104	145907	55334	51700	476949	85165	65301	332221	59848	102616	2278	86841	80915	16283	14245	11797	97030	51852	51939	18149	154641	16540	1565	155683	43330	Phytochemical	0.15384616	1.3076923	0.07692308
2	C13 H17 O2 N1	220.13321	220.13356	-0.080600426	220.1332	319337	313816	257767	298326	168756	272529	292501	433470	105275	363556	191405	192109	136984	118376	173945	734314	345555	231079	273294	366798	367093	324941	136780	369738	223278	69714	384523	172500	395315	397724	516220	450250	565253	348871	392430	405732	606294	146568	375256	165350	144475	189489	2737	1335	1650	125128	120281	1414	551253	302214	274425	298796	175245	1573	169100	46935	71587	509511	14981	38422	582338	61341	110993	139361	59804	174297	229512	445453	57353	118292	113028	460807	384077	409501	575127	349459	1065	210514	168653	107191	122335	36508	54643	129195	71976	75995	216356	220772	246613	538213	266852	143947	692746	113450	276335	2866	288564	313612	71093	57866	70254	589160	173151	303460	51860	482021	72522	1286	178463	170107	Phytochemical	0.15384616	1.3076923	0.07692308
6	C13 H17 O2 N1	220.13321	220.13353	-0.08436953	220.1332	217989	226868	198127	207352	103723	90762	202119	319133	73650	248580	155672	374666	68689	55107	244847	493490	305365	145915	179441	242829	259010	179925	113630	255118	151691	48323	191820	130515	244864	221542	601650	275276	332607	280234	290875	233575	315878	280168	365323	109397	119570	99939	4476	1434	1138	121400	109984	1381	387311	268778	222708	226188	121478	1350	101117	26086	54434	393053	8187	61431	407659	59974	70309	57675	50682	106934	133458	480953	48466	89335	98153	277788	237186	234624	253507	242585	1039	320167	116227	81423	117018	32773	31204	111488	43129	54608	160094	131072	141780	439103	157995	63889	401432	84677	156816	1608	213978	189533	38675	28753	36434	292287	320445	136634	54687	271249	47698	1615	148324	115132	Phytochemical	0.15384616	1.3076923	0.07692308
12	C13 H17 O2 N1	220.13321	220.13348	-0.068348765	220.1332	61359	82519	61160	71036	21579	23301	47828	31462	12617	137317	83853	27627	6344	11542	20795	85845	50027	20324	26503	157685	151495	123928	16564	60289	25625	83642	62256	47834	36578	50286	31758	56633	41219	41267	100732	47734	54377	20634	73863	96735	165267	23730	1504	1647	1628	59992	115143	1698	64247	42280	71496	73760	19352	1279	11335	4247	13002	81588	10404	47044	46725	41029	12127	9870	10842	20385	20712	57461	61093	86540	107474	34569	38876	39806	89664	59500	998	22026	21816	41642	15721	43886	39072	69764	9093	9982	33351	28257	25282	87686	101882	91328	83397	59468	155348	1493	70117	67864	10740	7016	6384	76104	25251	74732	19290	61534	15128	1706	31024	17473	Phytochemical	0.15384616	1.3076923	0.07692308
18	C13 H17 O2 N1	220.13321	220.13344	-0.07278162	220.1332	26115	21086	19027	20183	31971	26695	15310	17568	10846	32304	25181	13111	5373	4817	10621	25129	29778	16991	19281	35531	37996	36051	10124	28895	14583	24672	18194	24310	15373	16107	14647	18854	30940	17253	30306	22192	26919	12347	28001	28889	43438	16236	3053	1730	1613	14059	19187	1704	22058	16471	17588	24726	25475	1700	7750	2032	9794	25808	9248	27553	19737	17048	21809	11079	7249	12212	16655	33365	16594	18688	38836	19472	13866	17917	22775	21747	1436	9682	13420	30387	12970	14721	18030	24200	10062	6071	20694	13248	14449	65701	27539	29543	53929	24665	29143	1434	22380	22148	7824	3564	5509	28685	16757	22852	9052	29338	11241	1831	19435	29953	Phytochemical	0.15384616	1.3076923	0.07692308
4	C10 H21 O2 N1 S1	220.13658	220.13683	-0.32503015	220.1365	1031	1133	1167	936	0	1388	1015	801	0	0	0	828	0	0	515	1898	1166	0	0	0	0	0	685	9768	441	0	0	0	0	626	997	1179	839	751	0	0	1229	883	2134	0	0	0	0	0	0	0	0	0	2044	818	1036	1010	0	0	0	0	0	2897	0	0	2542	0	0	0	0	0	0	2743	0	0	0	741	0	0	0	661	0	931	726	21360	2676	0	0	0	0	0	0	0	0	1191	10994	0	5552	1135	0	0	863	813	0	0	0	934	1511	0	0	4771	0	0	1819	0	Organosulfur	0.2	2.1	0.1
2	C12 H17 O1 N3	220.14444	220.1448	-0.16630748	220.14441	13775	14803	13909	13349	1258	0	7832	23167	783	16678	8575	7583	923	1013	10385	30953	17181	3713	4926	17202	17211	15626	12704	38342	13914	4990	10421	12735	17653	18103	16300	19824	12384	15997	18354	18255	16752	9246	19551	13134	10924	6113	0	0	0	9657	9885	0	23303	20477	11141	12448	3888	0	1272	251	2528	23974	455	1313	27426	6049	728	893	0	2951	5954	23726	2925	4956	4820	15923	17001	16787	33619	18486	0	9355	9968	11463	13658	1964	2840	11391	905	1516	10533	6556	7066	40359	8666	5470	35755	8971	13525	0	12959	15475	1005	250	640	15882	6286	15386	3498	20723	972	0	11127	1358	Unclassified	0.083333336	1.4166666	0.25
0	C10 H21 O4 N1	220.15433	220.15471	-0.17502575	220.1543	28029	27913	28491	26707	24695	136835	4703	88173	17671	16389	7385	17224	62528	55474	9753	90274	35010	83990	167811	7867	14934	39359	28764	31530	11799	0	0	76272	82920	34141	99532	41375	72420	93515	28653	71305	53319	9206	36897	5840	0	110622	2235	0	0	18311	1523	0	62662	34447	21033	28566	33458	0	11637	65686	19875	107781	4881	1042	84286	0	19701	18704	39565	77408	133742	40768	663	5460	0	93223	109893	64782	16439	59372	0	17418	8155	99192	6902	10885	1776	1365	9753	15018	11853	80978	107615	34625	31441	25661	64442	30050	12670	0	28107	26377	24478	23715	40141	16594	18275	6376	7101	68137	32408	0	6274	79345	Lipid	0.4	2.1	0.1
8	C10 H21 O4 N1	220.15433	220.15457	-0.02969583	220.15433	1203	1109	1618	1350	753	689	14472	1079	0	0	0	0	0	119434	910	0	1193	0	0	1511	0	0	0	0	0	21412	5585	0	0	0	0	0	0	1176	0	893	0	0	1088	0	1402	1716	4572	0	0	1585	0	0	1057	0	1192	1244	858	397	0	5238	1120	0	0	1648	0	1380	15989	0	55142	1016	11288	0	0	3763	0	0	0	0	0	0	0	0	0	0	0	4930	51269	90651	1372	0	0	0	739	0	0	0	0	0	0	591	1712	3151	2365	0	0	0	0	1655	0	0	0	0	714	3126	Lipid	0.4	2.1	0.1
6	C14 H21 O1 N1	220.16959	220.1699	-0.083638035	220.16957	30904	35999	25697	31067	2047	2981	8385	30958	1082	45164	23471	11688	1273	2378	18780	87786	21582	3215	5881	36882	42869	17379	30610	123149	58119	13595	16029	22577	23258	18264	19515	39396	24562	35906	50396	25218	26470	20236	23420	13613	2132	6347	0	0	0	27605	19310	0	37838	18435	29771	30861	4468	0	1193	0	3967	108517	0	0	65557	7192	1967	1180	4309	5338	7788	46742	9738	23766	23726	23794	19094	15310	38094	19724	0	10731	85014	20832	42875	465	301	21596	1601	3545	59508	19638	29354	200394	244646	0	222014	19266	45363	0	32892	26808	1247	421	964	22148	10622	8301	0	77066	640	0	29725	1687	Lipid	0.071428575	1.5	0.071428575
4	C14 H21 O1 N1	220.16959	220.16995	-0.062276192	220.16957	221987	241334	207439	220757	6108	14004	84222	183239	5985	133543	62276	74725	3704	5065	127046	419676	178120	18422	25594	173454	156479	270234	183010	626340	287636	25575	110052	68287	163775	78161	111860	148910	191026	202975	184988	159441	175721	122947	195848	141311	25664	27143	0	0	0	172765	130170	0	227558	111646	225317	178708	23239	211	4265	926	17789	583785	0	0	412764	60448	2824	7364	28976	27405	31893	293347	19941	69045	45681	125376	126325	96074	276496	108523	0	80722	528668	310681	328699	5931	9624	104587	4241	27658	390830	126592	236717	875035	2003461	85703	897239	258226	542324	685	154365	229657	2693	1097	2583	144421	78051	206146	57845	463525	1760	0	252874	4884	Lipid	0.071428575	1.5	0.071428575
2	C14 H21 O1 N1	220.16959	220.16994	-0.12005076	220.16957	117752	132366	125486	105543	3032	23091	61296	318892	1721	78689	35639	69922	1085	4884	80736	465391	189928	11469	21915	109650	84550	124119	71396	424567	185586	23278	95012	24182	226401	159137	178779	212781	128666	163558	78677	202393	145112	69911	183383	85793	32437	73303	288	0	0	104951	81909	0	331748	260583	129294	122776	31454	0	3660	599	16082	411137	376	1004	406832	25901	1843	5090	13552	15402	84162	268466	15367	40508	31930	178226	141602	144065	258828	149611	0	86892	92504	30341	109121	10208	8556	54014	3246	14170	80039	61884	78433	348769	138170	51153	499293	50274	145167	0	115003	131828	2070	367	1028	129721	50814	129740	21158	280176	1474	0	122609	2538	Lipid	0.071428575	1.5	0.071428575
20	C14 H21 O1 N1	220.16959	220.16975	-0.107452966	220.16957	0	0	0	0	1651	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1558	0	0	0	4973	0	1793	0	0	0	0	0	0	0	0	0	0	0	1484	2436	0	687	0	0	2920	8999	0	0	1921	2143	0	1069	0	0	0	0	0	0	1606	0	0	0	0	0	0	0	1366	2731	3408	6154	0	0	0	1659	0	0	0	3240	1946	0	3927	0	0	0	0	56981	0	0	32012	4334	2789	2584	1715	0	0	0	0	0	0	0	0	0	0	3360	0	0	0	0	0	Lipid	0.071428575	1.5	0.071428575
18	C14 H21 O1 N1	220.16959	220.16982	-0.02581093	220.16959	7986	11518	9747	9725	0	0	0	0	1453	0	2014	0	1464	0	0	0	0	0	0	0	0	0	0	0	0	3361	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	320	0	0	0	1610	0	0	0	8505	8608	0	444	2835	0	0	0	0	1442	0	0	2771	4010	0	0	0	0	0	0	4739	0	0	0	0	0	0	1089	29230	6358	0	0	0	1520	0	0	870283	0	0	400966	4031	5784	2328	0	0	0	6636	12455	0	2356	1730	0	0	0	0	0	0	0	0	1686	Lipid	0.071428575	1.5	0.071428575
22	C14 H21 O1 N1	220.16959	220.1698	-0.03791177	220.16959	7409	9133	5070	7112	1339	0	0	1324	0	21036	20727	0	0	0	1745	4950	2798	0	0	21615	26359	13836	0	1622	2219	50803	0	27952	0	1545	1546	3669	2303	1189	11048	2522	1908	0	1976	19268	35504	0	0	0	0	55265	96104	0	2414	1223	7584	7862	0	428	0	0	0	4562	2361	12517	2024	15774	0	0	0	0	0	4084	38872	41038	61375	2200	1402	2829	0	3383	0	0	1914	25176	0	40929	5766	18298	0	0	3261	0	0	7146	19614	14504	2189	27935	27152	0	4090	6680	0	0	0	3371	1155	6589	35590	3209	0	0	1083	0	Lipid	0.071428575	1.5	0.071428575
8	C14 H21 O1 N1	220.16959	220.16989	-0.070144616	220.16957	6822	5631	5613	5747	4299	4334	1786	11031	2085	10274	6471	2225	5735	8242	7901	14626	6572	2574	7315	7659	9238	11990	1443	6513	3963	6517	2499	5454	8111	2589	14192	4258	4334	4987	17262	2263	3356	9138	6062	6409	892	1814	0	0	0	4962	5173	0	17260	5643	5631	6786	3691	0	903	3816	1459	14482	1107	0	10073	1406	1556	0	0	5686	6057	17750	4803	8018	9656	6311	4174	4667	6631	4412	0	2247	3393	2624	2645	830	637	5360	2774	0	5337	2859	3850	20909	28554	0	19665	5815	11582	0	4857	7421	2956	6881	6135	0	1773	1624	0	9302	3758	0	2672	1249	Lipid	0.071428575	1.5	0.071428575
2	C11 H25 O3 N1	220.19072	220.1912	-0.12847005	220.19069	0	0	0	0	0	0	0	0	0	1525	0	0	0	858	0	2250	0	0	0	804	0	0	0	797	0	0	0	0	0	1097	0	0	0	0	0	0	687	0	0	0	0	0	234	0	0	363	0	0	0	0	0	0	346	0	0	0	0	0	0	0	25532	0	582	0	0	0	590	0	0	0	0	0	1041	1074	675	1359	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1233	0	0	0	1058	0	0	0	0	0	0	0	0	2147	0	0	0	0	0	0	Lipid	0.27272728	2.2727273	0.09090909
0	C11 H25 O3 N1	220.19072	220.19109	-0.26243952	220.19066	0	0	0	0	0	0	0	0	0	1151	0	0	0	41683	0	0	0	0	0	0	0	0	0	0	0	0	0	763	630	0	0	2431	0	0	0	1943	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2006	0	0	0	0	6461	0	51950	0	3748	0	416	1699	0	1346	2971	2699	0	0	0	0	0	1981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2731	Lipid	0.27272728	2.2727273	0.09090909
14	C15 H25 N1	220.20598	220.20622	-0.09734128	220.20595	0	1452	2164	0	0	0	0	1279	0	0	1573	2382	0	0	0	0	0	0	0	2739	1911	0	0	0	0	6469	0	0	0	7603	0	0	0	4833	0	2418	0	0	0	2750	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1022	0	0	8099	7268	6151	8006	15158	0	4319	0	2428	0	0	0	0	0	4645	0	0	4444	0	1025	46819	22793	0	3455	4739	29394	0	0	0	0	0	0	0	2565	0	0	9929	0	0	0	0	Lipid	0.0	1.6666666	0.06666667
10	C11 H8 O5	221.04445	221.04474	-0.025313212	221.04445	63914	48920	41118	44268	126034	75918	32136	32824	134522	28604	38995	34074	179976	91927	35563	42964	37353	170847	169257	25093	31258	41363	49674	31525	23016	6448	27926	25202	33565	29720	30676	31265	52820	28227	37766	31813	55670	40574	38766	17862	22991	57959	13143	8439	13746	23911	20541	14915	27954	24366	48182	54856	95287	12104	125906	92877	48530	57684	16131	18350	53541	11852	164821	113597	54638	150905	65300	37716	16294	12573	13173	24018	30192	25556	26163	36062	9669	27884	44808	28772	48646	23683	13063	7205	119862	70871	58696	62598	87161	35534	25521	20839	32939	27148	22066	16984	46006	49362	87844	129302	116700	50084	41408	19948	0	35595	88801	10796	25067	205375	Phytochemical	0.45454547	0.72727275	0.0
18	C11 H8 O5	221.04445	221.04468	-0.0772112	221.04443	28454	33994	29165	27756	56471	40847	25767	24074	37275	16016	17836	16809	67837	53462	22959	22483	20310	59479	69606	16081	20083	25763	35098	31101	18621	8436	17285	10518	20155	17769	16813	18527	31698	14311	20289	18907	28190	24290	20687	16014	13696	30292	11574	7323	14101	15561	13164	11906	21296	12058	23771	28089	40622	7988	43089	34598	30703	32543	9312	9288	28456	7728	69787	41736	24916	71245	37712	23709	11897	8029	17630	16333	15936	13952	11062	22243	9638	16543	36619	22780	38845	21336	9084	10068	45587	38965	40024	34457	41758	28561	24219	19982	33684	17220	23887	13582	27877	29712	43331	42879	42531	26594	21707	10121	12761	27305	26175	8719	24334	58553	Phytochemical	0.45454547	0.72727275	0.0
16	C11 H8 O5	221.04445	221.04471	-0.05477416	221.04443	43608	49786	29801	41275	70085	62036	31339	29408	73518	23781	31128	26217	108101	82320	41959	40140	24019	106606	90686	20029	24186	39229	50155	29295	27470	10108	25288	33050	30909	27911	25941	35455	43662	27188	31044	33141	42327	31695	29078	16966	16867	46819	10965	9428	15576	21563	16428	15320	33794	24156	31433	42763	65564	9811	62364	49504	43107	50938	17983	12870	36227	12541	91628	64653	41236	97715	47826	30913	16588	14649	13859	24139	28549	24301	20931	34009	12476	27482	54313	37291	40699	26324	15707	12625	62229	48098	60836	51755	64235	51144	42266	32143	35368	27463	20757	17639	38686	37430	56757	66738	70002	38482	29163	15974	17558	34347	45055	9451	32282	113366	Phytochemical	0.45454547	0.72727275	0.0
6	C11 H8 O5	221.04445	221.04478	-0.009526523	221.04445	18851	24631	13244	20857	52043	23308	12777	10476	53659	11879	14138	11349	67333	31097	11525	13782	12520	55205	56853	11162	13907	18542	18793	14436	8708	5588	9392	6693	11327	9670	11133	11378	22636	11388	15563	11732	15432	11512	13923	8855	12797	25830	8035	6310	12549	13156	9861	10103	10339	12129	16502	22214	36109	8626	42148	48004	25061	15445	8291	8836	17181	7087	81305	39489	19944	54237	22787	17873	12211	6967	10531	10262	12118	10855	9507	15884	8312	10249	11874	4526	15663	13346	9026	5479	49609	27533	16255	27591	32250	10916	11024	9627	10142	10196	9569	13014	19595	19184	39070	71211	70242	19656	17859	10243	14545	12636	41511	7363	10834	80438	Phytochemical	0.45454547	0.72727275	0.0
14	C11 H8 O5	221.04445	221.04472	-0.06070794	221.04443	70037	78778	56568	74090	127548	98323	50298	45762	123943	28521	47120	50063	174609	108733	66345	78429	55190	187019	201888	26534	25663	61476	78379	57689	55117	9402	46268	32866	45677	54661	51760	57079	75228	50525	48981	49572	61653	56972	56179	21328	23720	87924	12827	9255	12304	30694	18252	16401	52824	43274	65185	61265	99838	10894	116628	77285	81361	96476	19709	13285	68291	10405	170996	119900	70645	168951	91195	55139	19937	13298	16255	46089	51073	39467	42003	56630	10202	48096	86011	55230	75711	30608	17579	13067	113744	63516	123786	110414	125490	86747	55105	40614	61660	33524	28707	18837	66067	70546	74989	109839	102377	61761	60838	23988	0	60694	63966	12013	60763	180669	Phytochemical	0.45454547	0.72727275	0.0
12	C11 H8 O5	221.04445	221.04474	-0.021556405	221.04445	70170	79442	67700	65001	140559	96067	42068	35101	141430	37197	44330	32995	165466	103306	44142	55222	44814	181531	197754	34411	29976	58179	70351	46076	31110	9633	43055	20087	40126	42598	42247	44765	64262	36262	49651	29367	53668	48330	45920	18983	22017	72619	10094	9318	13697	30861	18885	20590	50380	32173	63621	71999	116031	10649	154142	90761	69027	62767	21561	14804	57711	14171	235029	135591	58170	191796	75077	44190	0	16588	16991	32558	29288	34520	35571	46612	8144	33553	61739	35777	67831	29131	19759	9910	124360	82127	86041	73634	91399	66391	50938	33126	49183	31473	29478	20440	70189	70585	98895	121609	118407	69756	47355	21583	19288	42831	88591	17333	37201	241653	Phytochemical	0.45454547	0.72727275	0.0
8	C11 H8 O5	221.04445	221.04477	-0.02532515	221.04445	36261	38398	22859	33891	91429	44713	20133	17659	94397	21325	24432	22977	137938	56680	21606	22347	26681	98207	108636	16215	16902	29051	32181	19528	12581	6577	16135	11243	17440	18610	19684	19757	30122	17556	29309	20305	29297	21838	23957	15242	18554	45041	7779	6420	13157	18457	13136	12204	17093	15910	33589	38774	61102	9054	84751	72454	46489	21363	14118	13438	24636	10654	140968	87943	37877	108882	39946	27759	10391	9107	10050	14754	21077	13905	19458	26036	8976	18242	30091	13063	29212	18036	11418	7240	89337	38643	32298	42306	59478	22646	19354	16987	17270	21487	15395	13712	35146	38054	77199	115054	105818	31268	25488	15598	8147	19931	75053	7431	15353	146682	Phytochemical	0.45454547	0.72727275	0.0
8	C10 H8 O4 N2	221.05568	221.056	-0.006764241	221.05568	23211	19668	14228	24118	38523	27283	11030	15400	36772	8764	6950	18602	47391	22151	18645	24519	28867	62782	66626	3478	5699	18782	25710	23278	11587	855	12853	4249	15479	11814	17250	16118	34481	15730	10093	11770	34672	17524	32283	4058	5240	28612	889	950	1064	8227	3155	1056	21198	16125	18286	22046	40430	1374	45377	20636	20497	20629	4000	3868	21714	2590	63061	49280	19494	55023	35604	34325	0	3939	2281	12066	11995	6853	13081	9845	855	11521	28200	4513	17375	4791	4632	1598	21323	19778	24786	45488	33808	48582	0	8822	48476	5200	4772	1641	17047	20757	25575	28122	22477	28103	12173	5122	0	33392	18636	837	13568	82937	Unclassified	0.4	0.8	0.2
6	C10 H8 O4 N2	221.05568	221.056	-0.013193666	221.05568	16093	22303	13975	16534	37376	18358	8435	15081	34961	6373	6711	8859	38222	16648	11453	20617	16878	43668	41940	3185	5224	22720	16601	17904	8041	814	9065	3599	12717	11095	14088	14583	21363	17301	6241	8374	18740	13453	24738	1969	2558	19957	1211	780	1253	6472	3125	1123	16898	9875	18767	19124	27874	1322	35418	19405	14695	25552	2362	4438	19752	1755	77181	31601	13171	41508	24351	29095	2561	3213	0	12696	11115	5576	10297	11539	763	10082	20022	0	11396	3460	2508	1019	24294	16177	20369	33001	30210	58079	5728	5517	52373	3613	3520	1269	18348	13980	17534	19823	21847	19187	15623	4191	0	27072	14833	1005	12195	84977	Unclassified	0.4	0.8	0.2
10	C10 H8 O4 N2	221.05568	221.05597	-0.01873191	221.05568	19975	17845	17272	12540	25289	22489	14886	18153	19344	8365	9190	17832	24119	16896	14148	30512	28574	34786	37482	2877	6627	18619	19186	24235	17538	0	18892	3507	19886	18191	15623	19385	34759	18794	8982	15794	31697	16264	41713	3269	3223	22815	2214	1395	1381	6280	1937	1109	27427	14533	17267	20820	23531	1700	19968	11717	11765	28056	5182	7125	22588	1261	29765	20553	13265	30894	23616	33527	0	4380	2148	13781	16445	8155	19160	14227	667	14378	24053	4658	18606	4359	2994	0	16670	15498	23434	35878	25773	41271	10074	9275	42193	4703	4875	2333	18692	17674	10178	14390	15796	34368	16386	3907	0	33437	11668	1373	16177	39189	Unclassified	0.4	0.8	0.2
4	C10 H8 O4 N2	221.05568	221.05605	-0.029209457	221.05568	7076	6594	5640	6105	15231	6581	2202	5856	13474	2526	2544	4379	14267	8166	4390	4958	9171	17356	15307	2621	3562	7108	5279	5425	3153	1304	2246	0	4153	4089	6070	4913	7658	4131	3665	4395	6414	4022	12417	2130	2263	10932	825	1014	1398	3300	1955	1144	7050	4808	5916	5147	9520	1377	14276	9355	8120	7068	1747	2929	6662	984	18996	13356	6310	12972	8114	8026	1529	0	0	4319	4412	5062	2990	5495	857	3767	4844	0	4955	2294	1957	1041	9791	7311	3720	12085	12157	7855	2158	1784	10156	1428	1914	3047	5972	5403	10805	12094	11308	5938	5795	3744	0	6931	8016	1142	3910	25298	Unclassified	0.4	0.8	0.2
14	C10 H8 O4 N2	221.05568	221.05592	-0.025132626	221.05568	6968	4844	5468	5391	7151	4347	4949	5808	4381	3037	1516	6639	6078	5655	5189	9495	10898	9846	9454	0	0	4055	5408	4508	3883	0	4278	0	6145	3151	5410	0	14474	6605	2564	3343	9723	6197	10630	1637	0	7231	0	803	1205	0	0	1430	4074	5504	5398	3461	5661	940	5383	3297	5359	8328	0	0	0	0	8289	6473	4656	9663	3689	9814	0	0	0	4296	4039	2626	5116	3824	1048	5180	9261	0	6598	1831	2220	1083	3992	3648	8784	10473	9199	20652	6369	5764	10168	4024	1597	1525	3856	2272	2138	3126	6665	8321	8184	0	0	11729	2291	1130	8890	12387	Unclassified	0.4	0.8	0.2
12	C10 H8 O4 N2	221.05568	221.05595	-0.03458348	221.05568	12844	19927	14136	19086	15802	14497	15658	17510	9632	6865	2789	13189	13630	11712	13852	28102	30331	21614	20180	1336	2118	31198	18871	28923	15187	0	9287	0	10818	11254	16391	15524	39555	16672	3158	13760	28971	14711	44627	3297	4475	15530	1382	991	1446	3030	0	1459	25067	14453	15299	14890	16033	1479	7284	4655	8129	28848	0	0	27953	0	17119	11617	8447	24322	15216	38960	0	0	2667	15087	13652	4793	14771	14628	722	10639	29320	0	20443	3847	2662	894	7786	8264	21355	26393	18160	94696	7883	8654	67901	3447	4195	1342	21322	15278	8777	6738	7799	27084	13400	0	0	39104	7038	1219	21093	28906	Unclassified	0.4	0.8	0.2
10	C9 H8 O3 N4	221.06691	221.06717	0.01926264	221.06693	3460	2127	2633	3353	2185	1571	1925	3507	1190	0	0	2265	0	9136	0	23491	4087	2427	1551	0	0	2276	2064	9071	9256	0	1184	0	18628	10003	2862	11442	5089	10179	0	10657	7899	1438	3570	0	0	3109	0	0	0	0	0	0	9374	4556	2222	3225	2566	0	0	0	929	26506	0	0	22093	0	10710	1057	1373	1182	3666	4950	0	0	0	3910	3839	3980	0	5465	0	2440	1783	0	2756	0	0	0	0	1292	1628	4619	2263	10820	0	0	12710	0	0	0	4839	3334	0	0	0	4079	2472	0	0	20120	1100	0	13277	1511	Unclassified	0.33333334	0.8888889	0.44444445
16	C10 H13 O4 Na1	221.07843	221.07861	0.20273684	221.07848	468196	508871	462515	501423	728663	668714	429596	510105	658077	331380	247094	342958	905230	624160	515953	563202	469706	1131651	1017958	375922	313021	380103	494197	438309	450848	149552	377111	268150	580641	508672	532650	612818	791493	559980	433898	596590	775496	403558	498778	273107	206939	587297	88755	70072	86869	274109	195501	83115	663482	431394	515369	490055	698332	72746	752071	470889	427245	702786	271556	191243	554919	178306	757973	582423	351431	1003202	726891	439918	162422	249196	223095	493403	563835	563568	401169	623070	70161	366518	428513	317785	348522	254405	268644	188054	559848	458516	497036	608376	740277	440180	417722	391238	502633	210592	280686	101025	465171	474484	520168	520740	610977	740847	362938	305508	163994	452202	497157	68157	393593	948098	Phytochemical	0.4	1.3	0.0
14	C10 H13 O4 Na1	221.07843	221.07877	0.5731026	221.07855	565747	608393	487486	590192	862999	725017	510312	472696	896247	403048	348453	385976	1088812	627370	483557	544057	480806	1265243	1072435	523295	508449	496625	489420	372354	459228	196197	468904	347895	624907	531258	483668	654609	853101	546239	643072	559350	758312	427104	495976	398399	294237	584222	79957	66156	69841	342168	278092	87189	604987	365134	543082	516777	775716	61648	1124425	640446	515953	698200	369993	281219	547856	240447	1028608	864992	426754	1019851	701005	451670	218631	318258	289302	442144	485073	525770	431652	560311	58049	391756	505901	352573	448817	331652	362325	271746	730044	495338	664616	578438	768807	548644	523808	454318	505016	288237	358890	101399	555744	577361	657946	782620	793102	703819	445272	474975	221519	469675	580905	71449	407270	978488	Phytochemical	0.4	1.3	0.0
4	C10 H13 O4 Na1	221.07843	221.07889	0.19585794	221.07848	0	0	0	0	0	0	316	0	0	0	0	281	0	987	0	663	0	271	308	0	0	0	0	0	284	0	775	0	0	0	0	0	426	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	511	0	0	280	0	403	0	0	0	0	0	0	0	0	27580	0	0	0	0	0	0	0	0	338	0	366	0	479	421	0	0	0	0	0	0	0	0	0	0	707	394	0	0	0	0	504	304	0	0	438	Phytochemical	0.4	1.3	0.0
10	C11 H9 N4 Na1	221.07977	221.07985	-0.023843614	221.07976	589174	530284	446584	466199	753279	540607	399547	440724	788302	444235	352225	356424	863582	481261	393273	535963	457050	1100666	996142	546294	541768	468307	415143	387540	313190	212553	398232	293470	522992	446544	422574	507567	711567	446959	602442	456852	664104	375371	576878	409134	438233	507716	83362	69523	87788	334275	298391	81539	524391	343084	513995	534873	625203	63431	966931	601712	362944	639312	313984	361544	542791	240942	739845	731416	348535	847191	505093	531422	277891	320744	324697	363296	425444	403386	538352	492735	66365	323374	456025	285108	393111	321629	361447	258726	743936	506930	518822	487491	611843	453705	417632	391201	420420	356342	418077	89573	528561	551110	616213	736595	754615	629100	399945	457399	244231	362112	660782	70931	303109	951405	Unclassified	0.0	0.8181818	0.36363637
24	C12 H12 O4	221.08084	221.08105	-0.075096376	221.08083	77999	73726	59656	70435	84169	302799	46443	62462	973678	51165	45001	51767	94258	87379	59816	59437	59539	163672	120252	58598	53382	66949	67748	67091	46085	38301	40026	43258	62230	57894	54514	73942	84234	58036	79280	72476	76406	52530	66091	50807	53029	88156	36315	33278	60860	60298	38198	46578	69577	51388	63301	73598	74899	41908	87022	76730	53738	79276	50845	35524	77489	32739	92705	68680	60783	85387	62256	62885	51017	51044	50851	58487	63693	61509	42412	72316	45766	50595	61309	40497	68467	53119	44687	39077	80811	53846	62251	62511	73076	60980	72395	52548	76537	44310	48472	47643	74443	88851	98114	68738	77036	79329	62208	52330	46270	60747	68486	41742	53312	100820	Phytochemical	0.33333334	1.0	0.0
12	C12 H12 O4	221.08084	221.08112	-0.05712732	221.08083	552159	705089	609560	660873	856133	649596	532539	1020250	936639	491553	432257	663016	933177	547084	471662	1296028	509860	1300545	1278744	637408	583668	577514	510146	379728	437921	203280	573995	336749	1281078	510955	492850	1288212	1672138	544118	716950	513599	1536790	456546	593864	426616	393345	1197620	65475	65702	80334	353906	311702	87565	676589	834450	670055	673625	827879	62339	1222321	629630	499799	1430392	365422	336870	678967	276186	1093883	882642	408761	1037629	624252	502755	259592	364939	335707	419124	502553	482068	531162	598403	51120	422356	485339	347520	439566	362941	381693	291399	693022	533372	1254016	1097480	1478604	546606	566936	579088	526561	340245	467385	98185	667169	676446	722750	753337	725223	1507802	883728	453130	286877	944126	742799	73400	776430	1214188	Phytochemical	0.33333334	1.0	0.0
0	C9 H16 O4 S1	221.08421	221.08466	0.37089276	221.08429	0	0	0	0	0	150646	0	0	1170	0	0	1663	0	0	1526	0	2633	0	0	0	0	0	0	0	0	0	0	664	1778	0	0	2067	2152	1632	0	0	0	1144	3860	0	0	0	0	585	776	0	0	588	0	0	0	0	0	487	743	430	0	0	658	554	0	0	0	1162	1143	0	0	0	493	0	0	2180	1607	2264	0	0	979	2556	0	0	0	0	0	0	0	0	0	0	0	1047	0	0	0	0	0	664	0	0	534	390	0	0	14046	0	0	0	0	566	0	0	Organosulfur	0.44444445	1.7777778	0.0
8	C9 H16 O4 S1	221.08421	221.0845	-0.040794242	221.0842	12003	10418	12742	12958	3033	4116	59956	13492	3970	1787	3158	96639	4065	2916	8226	10660	3705	6173	7619	6309	1489	0	5876	3524	7831	0	179352	3707	18598	29436	23910	13758	6422	2635	2014	18892	4214	5348	4436	0	0	5345	0	440	531	0	0	2922	21376	12941	10514	12480	3110	548	2937	1562	3483	15968	817	0	8552	0	1402	150485	3529	2712	6394	3918	0	1066	0	2481	2560	7904	2969	15456	367	191378	2510	0	2096	1374	0	0	2911	3757	5993	2129	6579	3769	0	0	2085	0	0	416	14534	16942	3149	1442	0	6221	1337530	2117	0	3588	2683	634	4364	3080	Organosulfur	0.44444445	1.7777778	0.0
6	C9 H16 O4 S1	221.08421	221.08452	-0.091178454	221.08418	7276	7994	8016	5247	3481	5124	36149	10587	3780	2411	7201	17488	3343	6388	8700	13871	11259	7477	9200	3186	2579	2489	8885	4835	8606	500	210960	23324	16224	13683	20098	12502	11828	4833	3788	11725	7098	5984	14383	0	681	9709	768	403	0	2728	0	0	11422	7279	7098	7900	5181	578	5142	2530	5049	15574	829	998	9463	0	3093	4047	6775	3344	10679	11428	0	0	0	3357	4598	7982	7041	8238	437	21347	4609	0	3684	4364	1077	0	3716	8548	13224	3334	10416	9192	3457	2377	5091	4972	2280	435	7009	7461	3260	2657	3093	8979	103323	1360	0	6702	3108	443	7636	4299	Organosulfur	0.44444445	1.7777778	0.0
4	C9 H16 O4 S1	221.08421	221.0846	0.19597605	221.08424	1306	1858	1962	1399	1133	1150	8167	2068	1426	0	0	3474	821	1203	1296	2232	2246	1939	1577	1300	1062	1082	1179	1331	2159	759	61933	0	1464	0	2294	2534	1626	938	770	2231	888	1396	2290	0	800	1654	0	581	466	1502	0	527	0	1361	1571	1768	1731	415	817	871	1077	2997	830	803	1863	0	0	1968	1103	1054	1468	2802	0	0	0	0	0	2263	1868	1814	409	3841	1269	0	950	1582	975	566	1373	2149	1102	1406	2032	2217	0	0	846	0	1038	715	1591	1481	1674	1526	1556	1104	13337	1175	0	1403	1118	592	1332	675	Organosulfur	0.44444445	1.7777778	0.0
2	C9 H13 O3 N2 Na1	221.08966	221.09004	0.26660866	221.08972	0	0	788	0	0	0	581	0	398	0	0	366	0	367	361	2786	592	626	519	0	0	0	380	0	0	0	0	0	0	692	0	610	0	783	0	0	1044	491	1021	0	0	0	0	0	0	0	0	0	692	401	0	0	1666	0	309	0	1382	647	359	500	709	0	0	0	0	1614	1153	1324	0	0	0	673	1069	0	27796	0	0	332	0	0	469	0	0	0	0	548	421	3449	782	0	0	0	0	0	0	0	0	0	0	268	0	826	453	0	0	849	0	0	403	409	Peptide	0.33333334	1.4444444	0.22222222
4	C11 H12 O3 N2	221.09207	221.09242	-0.06107901	221.09206	119416	147691	123781	127715	128381	114697	87979	161917	97595	55861	68105	115455	105484	46050	124107	230743	260812	171638	185815	52140	63539	165578	132606	226029	103123	21758	99135	83523	124213	89399	140069	132423	200781	132145	69305	122982	159164	134102	315469	45957	63668	155513	4303	2814	2943	71949	57906	3391	158833	144406	135685	114123	148756	12366	117933	76903	93768	208049	32541	75051	204593	30249	111433	104483	76215	130763	102638	257764	28069	42998	46600	106920	106663	74370	134656	105703	1660	96226	158719	161629	141079	37848	40339	23764	108785	111506	163397	193362	147093	340438	247976	209919	333759	62586	57858	6130	123636	155541	133735	93761	99018	194141	121246	79642	27933	185350	111144	3283	134288	138058	Peptide	0.27272728	1.0909091	0.18181819
14	C11 H12 O3 N2	221.09207	221.09233	-0.09053774	221.09206	49053	47357	49699	51910	32564	27300	63302	70754	15709	18105	14179	43809	11014	14257	34704	100429	77620	25031	33610	16503	15423	58481	36506	90263	51171	4587	58443	19326	46910	48882	79376	80698	76662	84180	23998	59614	85937	41056	89740	20985	32185	43878	0	2632	2440	24283	17090	3576	95814	61284	51686	47292	36854	3383	16408	5907	25707	127239	13690	27106	83049	8865	10846	20569	16988	27846	37573	106211	0	9007	16807	80593	62539	37689	57702	65931	2042	47673	47741	27212	46210	18706	24679	15266	8404	14881	60744	76371	56907	206899	43096	41901	143468	17476	18065	3495	58461	38097	13631	9584	9367	59989	51419	29334	0	130594	13563	2742	74793	14460	Peptide	0.27272728	1.0909091	0.18181819
16	C11 H12 O3 N2	221.09207	221.09232	-0.029434359	221.09206	10530	13529	11413	10856	12065	10204	14929	15912	6007	2116	4750	12295	5639	5983	11341	25166	30431	9987	10735	4732	0	16434	15379	30343	14091	0	16011	6501	16732	13424	17121	15803	24414	20912	3976	12172	21967	10914	31397	2599	6486	15406	2256	2706	3048	3251	3353	3701	26874	14139	9788	14985	11661	2868	7176	3691	9359	25693	0	8008	17915	2813	5438	6535	8045	10102	12456	31012	0	1772	1340	14853	16431	8977	16836	13417	2472	10788	16130	15021	18221	6607	4970	3158	6642	8714	15658	22404	16565	48600	10860	8717	0	5463	5234	3695	10165	12222	5288	7560	8697	25032	14046	6173	3753	26710	5314	2598	17616	10254	Peptide	0.27272728	1.0909091	0.18181819
4	C9 H16 O6	221.10196	221.10237	-0.12655477	221.10194	544	0	576	776	0	902	669	684	1013	0	5757	704	1246	610	442	0	0	1583	776	0	0	0	402	469	0	0	0	7649	0	471	458	0	582	0	0	0	827	500	0	0	0	917	1214	0	0	0	0	0	0	614	701	0	792	0	585	801	517	407	645	0	0	0	858	487	0	1031	1004	0	0	0	0	1089	584	1295	0	0	272	364	0	27999	0	0	454	0	1387	760	502	979	0	594	0	0	661	8903	1750	0	719	669	0	888	680	0	426	0	13659	661	648	0	0	981	Unclassified	0.6666667	1.7777778	0.0
6	C9 H16 O6	221.10196	221.1023	-0.084534064	221.10194	1365	1595	1286	1481	985	2295	1167	1188	2323	2452	4483	1274	4104	1916	1996	0	1655	2064	1825	0	0	0	1479	0	831	0	967	15880	802	649	0	1158	1954	1731	0	1575	1645	1173	0	0	698	1298	1023	837	834	0	1611	661	0	816	1197	1187	984	1087	1370	1658	940	0	3560	827	1081	2293	1134	1623	2350	3298	1924	1371	1680	0	0	915	0	2190	0	994	622	930	1362	15292	1001	741	723	0	976	2362	818	1489	1329	0	0	1982	0	7555	0	811	1985	2048	1748	1763	2041	1464	1319	1627	99190	1598	1243	892	499	1841	Unclassified	0.6666667	1.7777778	0.0
0	C8 H16 O5 N2	221.1132	221.11359	-0.019355018	221.11319	0	0	0	0	6500	22809	0	2764	2961	0	0	0	14289	16475	0	0	0	10478	3550	0	2242	1975	1645	1715	2988	0	0	949	16137	0	5965	0	35410	6057	1947	0	3960	789	1485	0	0	1151	0	0	0	0	0	0	2813	0	0	0	7471	332	3854	1524	0	3245	0	0	0	0	15448	1862	701	11020	23529	1006	0	0	0	4883	3188	0	0	1884	0	1331	0	904	0	0	0	0	1430	0	947	4122	5982	1675	0	0	2935	0	0	0	0	0	847	947	0	1756	0	0	0	3389	1200	0	0	27743	Peptide	0.625	2.0	0.25
14	C13 H16 O3	221.11722	221.1175	-0.07004676	221.1172	1297548	1373170	1179875	1325248	1336288	1185048	1538127	1182959	1216974	1100115	920944	862456	1346587	1198991	950629	1493871	1896885	1749285	1627118	1626766	1760485	1199783	903677	923667	1049848	940598	1543222	977558	1400778	1291883	1125308	1640033	1944363	1334190	1419104	1423571	1702613	945872	1958764	1017664	1000486	1209741	146691	97963	83998	844367	910418	120903	1581461	930042	1282916	1194226	1315838	92399	1369516	1062653	947422	1751882	794557	1003453	1256461	581150	1430315	1161863	894381	1523551	1380357	1743762	668832	953864	998086	1029065	1188418	1251016	1505016	1330896	82921	833253	1082712	911326	927713	833081	1471991	1399671	1268442	880123	1482226	1192942	1416102	1696999	1484952	1227940	1330285	814904	1166979	122942	1316885	1342095	1092546	1538522	1544054	1684143	909977	1268463	512476	1163094	1067473	99778	1033470	1235303	Phytochemical	0.23076923	1.2307693	0.0
24	C13 H16 O3	221.11722	221.11743	-0.05195461	221.1172	635652	638651	566306	593317	513493	356897	8207593	523130	330615	330079	273575	351788	401257	418858	555783	499937	759995	445859	539105	359759	310741	310780	390924	440474	500024	2956823	6454521	696365	1132995	507652	430098	467651	565207	372447	316166	552808	554466	441374	707778	296114	531862	683156	338948	209655	421826	403058	830250	286192	542575	492267	605447	601713	436029	554807	412724	334732	300570	491476	328286	572129	520930	227138	363160	322390	296674	420417	605080	831474	276744	269613	379441	377053	385694	480671	438291	510877	410246	323530	399598	352083	376052	402381	1228094	1887579	381343	471661	435202	387260	497304	702776	459466	371827	527717	218022	342446	332845	604400	687105	316099	344064	393282	597982	350044	422606	346700	529161	337642	313809	527530	401770	Phytochemical	0.23076923	1.2307693	0.0
16	C12 H16 O2 N2	221.12845	221.12865	-0.19274098	221.12842	7896	8303	7274	6767	4110	4646	8112	7135	1624	3159	6290	5226	0	1078	4684	13311	14979	2888	1935	5148	2750	9265	5224	13025	3972	4634	8929	2704	7425	9167	7149	6957	11968	11947	2520	6523	12716	5194	18299	6143	10750	8234	477	865	613	3287	5907	685	14827	6816	6463	4194	5453	701	0	0	6679	16424	2277	7067	13465	4613	0	0	1531	1985	5448	16233	5298	6387	6477	10386	5665	6871	9480	9284	723	4315	7920	10000	6239	4763	4769	3950	0	1323	7219	7727	6317	28222	9405	7063	0	5869	6464	586	5790	7298	2237	0	1916	9669	5415	4058	0	0	3734	645	11985	1937	Peptide	0.16666667	1.3333334	0.16666667
4	C12 H16 O2 N2	221.12845	221.1288	-0.0914707	221.12843	469835	514933	489635	492977	90458	186339	551815	754771	61471	280984	175017	448864	49568	51669	217001	974177	1603631	152727	231031	253008	266585	253046	226935	475551	327457	55086	529034	222896	1080765	588583	664740	1133172	1029672	842778	455475	1205265	1004384	272474	1584708	115142	140693	397513	1755	1011	623	160766	90344	1163	1014228	729791	522333	440346	193736	1491	64101	21724	92997	850367	16603	47929	796140	65575	49858	76417	98782	117167	242077	1860667	52307	170933	202415	390650	855560	968645	1773229	882501	465	458055	213351	131910	212441	47577	38986	86863	52159	99531	281822	367320	420490	718269	190249	103994	486408	96012	154094	3531	471418	535462	52470	34876	39416	990905	431380	101741	40916	604670	51560	1212	338753	71691	Peptide	0.16666667	1.3333334	0.16666667
4	C15 H17 Na1	221.13007	221.13045	-0.52302015	221.12996	0	0	0	1724	0	765	0	2780	0	0	0	3626	0	0	2322	0	0	0	2342	0	0	0	0	0	751	0	0	0	4699	5426	585	7011	0	4121	0	0	5418	0	0	0	0	0	0	0	0	0	0	0	0	629	0	0	487	0	0	0	0	6906	0	0	0	0	0	436	0	0	2896	20652	0	0	0	0	0	0	0	0	0	444	375	0	0	0	0	0	0	0	0	0	0	2968	0	0	0	0	0	0	1654	0	0	0	0	2369	0	0	0	4060	0	0	0	0	Phytochemical	0.0	1.1333333	0.0
6	C10 H20 O5	221.13835	221.13869	0.001912578	221.13835	8068	5600	7466	6489	746	907	971	26077	1654	14899	12599	535	1508	3401	0	2432	721	1536	0	10619	7525	7342	691	3988	751	724	2044	37059	3771	8223	7096	2717	1223	1810	6838	3323	1235	0	0	17837	3784	1177	10927	0	464	21567	16587	570	3598	19149	7047	7620	0	1092	0	0	1103	3846	8266	7533	15870	16781	4683	2160	833	1714	2309	0	27465	21340	40665	16569	4162	12363	0	4396	391	908	0	43575	0	1475	4710	130900	0	0	0	2176	0	992	15449	8522	0	5303	12569	0	7469	5357	4647	0	765	1689	0	21874	132356	0	396	548	0	1466	Lipid	0.5	2.0	0.0
14	C10 H20 O5	221.13835	221.13861	-0.097895384	221.13832	8175	8491	4906	4775	0	0	10598	0	0	6157	11761	2592	0	0	1246	2153	4065	0	0	2638	0	10790	2173	0	0	0	3619	61725	0	0	1237	0	0	0	0	0	0	2782	3353	2760	7513	0	3590	2163	1467	3284	6279	2503	0	3460	6869	7800	0	2446	0	0	634	5181	24462	38994	153950	4576	1999	0	1284	1454	3109	1460	96404	1873	2497	1268	0	1332	1388	0	1803	1282	0	101817	0	1618	0	0	0	0	0	0	0	13699	3916	2237	0	10538	1597	2762	7793	3242	3091	0	0	3938	1635	7391	37238	0	0	2627	0	1514	Lipid	0.5	2.0	0.0
10	C10 H20 O5	221.13835	221.13866	0.01989817	221.13835	3909	4782	2317	2521	1039	0	1892	0	0	3886	12632	0	1157	0	0	1831	0	2343	0	0	1456	2200	0	0	0	0	0	6914	0	0	0	5566	0	0	0	0	0	0	0	11668	5200	0	2992	1019	983	6951	10207	709	1124	0	5138	4147	742	1584	0	0	0	0	29881	2788	12562	11334	1406	0	1006	0	0	0	11438	1666	0	0	0	0	0	0	992	0	0	24782	0	0	0	0	0	0	0	0	0	0	0	0	0	1903	1180	709	4074	4817	3273	0	0	0	0	3156	609194	0	0	931	0	0	Lipid	0.5	2.0	0.0
12	C10 H20 O5	221.13835	221.13864	0.008169601	221.13835	4902	9137	3353	7765	1196	0	0	0	0	0	19555	0	1890	5350	1043	4147	0	5738	0	0	0	6903	0	0	0	0	3262	22926	0	0	0	9200	0	0	0	0	0	0	0	3401	12620	0	10710	996	1003	3080	9766	1501	1664	2945	5593	9763	0	4972	2378	0	2740	4660	20934	13159	121645	8753	1661	1651	10654	19185	18323	0	43766	3161	1499	0	0	0	0	1017	808	0	0	57701	0	1797	0	0	0	2277	0	1385	0	4198	2708	3146	0	5694	3418	512	6591	5166	8643	0	0	0	0	7503	206687	0	1040	795	0	0	Lipid	0.5	2.0	0.0
8	C10 H20 O5	221.13835	221.13869	-0.033057492	221.13834	5853	6658	6258	5888	6141	1740	1730	3295	1667	10160	12710	1091	2486	2259	1047	5608	1345	1249	1213	10628	5088	5659	0	3080	1603	2080	2615	29443	2293	1954	2365	5396	1410	1513	2882	1698	1229	685	0	19485	5772	2628	6967	1388	2534	16047	16718	1675	3409	3974	3860	8005	3669	3647	1598	1789	2748	4170	19480	6545	40147	20300	10750	2569	2406	3286	1973	1579	38816	13570	29081	5688	1030	2270	1279	1509	2959	0	2251	42219	980	1619	1321	1784	1818	0	881	2526	1162	2144	0	0	1828	7146	8863	1489	5814	6345	11530	880	2455	2129	0	22197	151336	921	2489	1602	764	2219	Lipid	0.5	2.0	0.0
16	C10 H20 O5	221.13835	221.1386	-0.13808997	221.13832	6822	4994	4043	6078	5808	0	4028	0	0	7451	10376	2751	8552	2807	2068	0	7651	0	0	2190	0	7512	0	2578	0	0	6512	30511	0	0	0	0	0	0	0	0	0	4175	2895	0	13750	1443	5332	3077	2265	2211	7400	3151	0	2940	3989	4008	1172	2447	0	0	16018	6121	31718	30676	75695	5471	10291	2148	26251	109517	33234	0	37806	4314	3513	0	0	0	1601	0	2456	0	0	56304	0	1115	1480	0	6897	9530	0	1040	1386	0	0	2165	0	4044	2681	2690	3655	3925	2228	0	15645	5221	0	12699	17150	0	0	3395	1244	0	Lipid	0.5	2.0	0.0
0	C9 H20 O4 N2	221.14958	221.15004	-0.055875592	221.14957	0	0	0	0	1659	0	0	0	2204	0	0	0	8467	0	0	0	0	3510	1532	0	1146	0	0	0	0	0	0	0	9113	0	0	0	13121	0	0	0	0	0	0	0	0	0	5528	694	0	0	0	0	0	0	0	0	1230	288	2235	918	0	0	0	0	0	0	6934	0	0	6826	5890	0	0	0	0	0	0	0	0	0	910	0	0	0	0	0	0	0	0	0	0	0	0	37303	0	0	0	0	0	0	0	0	533	0	0	0	0	0	0	0	529	0	0	18785	Peptide	0.44444445	2.2222223	0.22222222
20	C13 H20 O1 N2	221.16484	221.16501	-0.02548018	221.16484	0	0	0	0	1798	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	959	0	0	0	0	0	0	0	2160	14242	26429	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1142	0	1798	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.07692308	1.5384616	0.15384616
6	C13 H20 O1 N2	221.16484	221.16513	-0.11930887	221.16481	7369	9091	7490	8339	637	2367	10655	11212	462	6712	4466	5379	0	895	5032	15076	21372	2128	3258	8031	7847	6117	4583	12467	9225	1840	11019	6164	8153	12688	8727	14605	11716	11545	11127	11940	13259	8380	28425	6209	3047	2251	0	0	0	4738	4457	0	16251	8826	9052	8121	2116	0	0	0	2467	14110	1229	0	9769	2377	672	0	1461	1200	4042	30009	0	2481	4329	8083	12716	11557	20397	13183	0	5210	8919	3909	8110	766	443	7035	505	2027	10884	2822	5457	47133	6831	938	21628	2866	6635	0	9368	6797	458	0	0	13762	4400	3817	0	13137	0	0	10442	759	Unclassified	0.07692308	1.5384616	0.15384616
4	C13 H20 O1 N2	221.16484	221.16518	-0.1618752	221.16481	22024	24229	23124	24210	2350	5777	20074	40365	1656	23429	9875	15981	2208	3743	14787	46897	41710	5736	9676	20090	23478	22206	11097	40044	23197	4760	19019	16360	33055	23271	30803	41849	36193	30958	27615	38425	33965	16254	49857	16733	9270	8762	0	0	0	12043	12786	0	44968	33729	25452	18599	6421	0	2001	526	4429	42577	0	748	36112	8567	2165	2955	2860	5032	7988	59350	2979	6880	8183	25532	32511	37687	49290	30061	0	16205	25318	10933	20802	1645	1509	12631	642	3707	22529	12079	12690	97838	29604	4172	77587	13914	23770	0	24721	21034	1640	884	1026	34004	14224	15840	5257	37821	816	0	27187	3950	Unclassified	0.07692308	1.5384616	0.15384616
18	C15 H24 O1	221.18999	221.19019	-0.0998617	221.18997	4787	2750	3224	3860	8922	2976	20687	3282	1575	0	0	1675	2644	9624	2016	4789	5040	18434	2565	0	0	2142	1443	3136	4260	1418	18948	1484	0	1832	1420	2720	2484	0	0	0	2077	4810	7329	0	0	1475	2832	1344	1202	1241	2385	1449	0	2080	4700	3847	4018	1547	2325	4552	3045	5264	0	1549	2824	0	3620	1620	7836	3803	6394	5045	0	0	0	0	0	1679	4156	0	1534	0	3955	2892	2271	1850	12072	17077	2907	2597	13824	4266	2054	35612	3509	2036	9373	0	0	1264	0	4063	5887	9103	6490	3348	2207	0	0	3091	5692	1374	4426	2287	Lipid	0.06666667	1.6	0.0
20	C15 H24 O1	221.18999	221.19022	-0.09662389	221.18997	17216	19489	18090	12107	22990	18563	113275	14282	5411	4409	6523	7976	14041	76817	9610	23672	22928	21964	13620	3294	4054	17564	10426	8824	17726	19808	122797	6852	6337	6933	4493	11113	7134	4378	4074	12972	6380	8195	23648	3532	6280	10527	6979	2283	1670	4818	7506	2735	9229	10707	18844	17441	13597	3229	4911	17733	12914	24039	4783	11096	19078	1460	18403	4974	35151	14182	33996	25987	3492	5364	6264	5884	2470	6056	20525	7546	2040	5619	16699	28719	14230	8979	61841	106642	18145	14045	34229	10159	11726	92543	25228	20139	41707	8225	3768	2926	18470	18252	20223	19842	22369	9602	8217	4165	5901	23038	17849	2596	22442	9543	Lipid	0.06666667	1.6	0.0
10	C10 H7 O5 N1	222.0397	222.03996	-0.033940002	222.03969	8975	6078	6244	7926	15291	9028	3403	3682	12689	1357	3283	6957	14263	11770	5243	8419	12094	24426	22932	0	0	4986	8899	7967	3640	0	5303	0	5487	4001	6271	6741	12256	5395	2254	7606	9588	4660	11787	0	0	14668	881	709	1302	0	0	1341	5952	3114	7299	8850	14456	817	11137	5580	5752	11634	0	0	8993	0	17472	14441	8035	19046	12007	16240	0	0	0	6333	5128	3493	6608	5507	734	5084	9789	0	5043	0	1308	0	9220	5819	6827	17210	17533	9428	0	2015	10231	0	1073	1324	4294	4407	10900	7369	8884	8972	7197	0	0	8513	6958	581	6207	24484	Phytochemical	0.5	0.7	0.1
8	C8 H7 O3 N5	222.06216	222.06242	-0.062166236	222.06215	2387	2204	1501	2724	4418	2621	0	1591	2375	0	0	2564	3646	98612	1785	1484	1371	7357	12342	0	0	1589	4322	0	0	0	0	0	1912	1029	1462	1543	7581	2189	0	946	5016	2837	1217	0	0	3246	0	0	0	0	0	0	2441	2052	1492	3192	8772	0	1828	547	1492	2675	0	0	0	0	3935	3086	1784	13269	7446	1643	0	0	0	1315	1234	0	1289	1129	0	1584	1904	0	1731	0	0	0	1326	0	2801	18360	10727	3329	0	0	3868	0	0	0	1677	2117	1647	1031	0	3937	1615	0	0	7648	0	0	907	4980	Unclassified	0.375	0.875	0.625
4	C9 H12 O4 N1 Na1	222.07368	222.07428	0.1290629	222.0737	0	0	0	0	0	0	0	0	0	0	0	262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	521	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	463	0	0	0	510	0	402	0	568	0	0	407	0	508	584	0	0	0	0	0	0	0	36278	424	0	0	0	0	0	0	0	0	0	385	0	524	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	628	0	0	0	Lipid	0.44444445	1.3333334	0.11111111
6	C9 H12 O4 N1 Na1	222.07368	222.07393	0.16774783	222.07372	0	894	0	0	1311	0	0	0	700	0	0	0	0	538	0	998	0	0	0	0	0	0	0	0	0	0	1030	0	0	560	0	0	0	0	0	0	0	0	1124	0	0	499	0	0	0	0	0	0	0	636	653	0	684	0	0	0	662	0	0	0	0	0	0	0	472	692	1760	1125	0	0	0	0	0	0	70419	573	0	748	0	0	0	0	0	0	0	0	0	780	0	0	0	0	0	0	0	0	889	0	554	0	0	0	511	0	0	0	752	0	0	1008	Lipid	0.44444445	1.3333334	0.11111111
16	C11 H11 O4 N1	222.07608	222.07634	-0.06704323	222.07607	29674	32221	26613	33173	39215	35073	28807	27597	29385	8869	15604	25245	33471	33886	31497	42524	38579	61972	43821	8093	6969	31948	30449	35924	30728	2734	27290	13848	30639	27603	33135	34209	58013	31850	13003	30639	56125	25098	42554	13530	14918	31142	6087	7988	9701	17586	9736	9334	44420	20976	30579	30332	42963	6861	27909	19891	27255	53316	10881	14349	39806	10051	33649	28320	17223	49314	30560	38569	3828	3906	7590	30734	30254	22357	26481	34953	7670	24211	33406	24587	26808	11719	16587	6790	25184	21494	32908	42096	38668	54261	17851	21175	50050	7991	13924	9121	28125	28684	23718	25834	27425	50355	24224	15781	5537	39463	23174	6529	34194	46740	Phytochemical	0.36363637	1.0	0.09090909
6	C11 H11 O4 N1	222.07608	222.07642	-0.06536622	222.07607	95449	113867	87970	104350	165357	84884	68632	85030	181079	48292	42690	66420	199489	71092	72456	125833	113283	215369	212911	44191	62724	108618	82804	104435	53692	17724	63973	34150	79511	60820	76806	81127	137474	82476	65526	69574	131981	74253	152234	37481	62320	106460	7165	5208	7365	53273	58846	6377	94610	66851	103555	104024	139444	6930	185471	119033	84562	132020	44228	72820	102752	28768	225244	133928	62599	182306	111098	155048	32186	38944	42117	64489	66483	49773	60760	72289	5416	50213	90917	30586	73157	41552	49045	24040	121984	95160	114141	138023	142223	227266	50784	59229	192597	42316	44389	8459	96063	87791	94700	123338	137185	131906	72920	62500	26276	124910	120852	5960	71897	349008	Phytochemical	0.36363637	1.0	0.09090909
2	C8 H15 O4 N1 S1	222.07945	222.07983	-0.06076986	222.07944	27011	30038	22197	28262	58671	30812	17363	27964	56457	14410	18889	19688	76121	40647	20347	17223	23134	74232	61524	14885	19008	31551	26103	24495	20161	5650	12353	57847	31492	21702	28556	33370	45689	23804	22134	28706	36278	17099	21167	15008	12594	40492	5175	5256	7837	16602	12944	6950	27691	16831	26899	27858	52628	5966	54741	34597	26707	34388	10462	12498	18862	7007	79388	61080	21167	68570	41415	29196	9713	10247	9236	22752	25502	24231	11051	29711	4821	18170	17367	16766	18086	13007	10599	6459	33989	27867	19434	51589	53895	26990	33515	29142	33180	13848	9861	12281	23871	26095	42730	44256	41864	28052	23060	15843	12544	31651	31445	5695	14738	115894	Organosulfur	0.5	1.875	0.125
2	C10 H11 O3 N3	222.08731	222.08769	-0.044313353	222.08731	9152	9434	6852	8300	14548	0	5628	9819	12506	7510	7174	6627	14644	5464	6348	3509	10869	15357	15665	6271	12272	14941	8993	10140	5149	1328	1679	4361	8024	5265	8955	7221	12651	7048	10288	6313	9261	7325	13394	7210	9683	8829	376	0	0	4672	4809	0	8817	5957	6345	7967	15183	219	12233	5683	7018	10783	2868	6909	4196	2738	21705	11930	7708	18216	12819	15757	2364	2912	3094	8410	6762	4189	2077	7053	0	5487	9420	3292	7396	3681	3025	2955	10136	9218	9377	19784	12679	26696	4950	5151	27523	3810	1912	0	6816	7938	10076	8587	8044	8301	7212	6273	3679	17328	8111	0	8220	22458	Peptide	0.3	1.1	0.3
4	C10 H11 O3 N3	222.08731	222.08769	-0.07875189	222.0873	7583	8557	7802	8803	9373	5600	4898	8808	7657	4046	4868	5751	7920	4996	6816	12044	15350	14757	13555	6040	6518	12942	8600	12189	6220	2426	7737	4811	6845	5780	8654	6883	8226	5842	7804	6198	8993	7262	21479	7256	10058	10260	0	316	255	6984	6729	340	9254	9441	8152	8051	11267	266	9571	5870	7952	11623	5012	8569	11189	4875	11629	7403	6849	9539	8208	15287	2453	2979	2223	5427	5360	5422	4156	5090	0	4651	8466	0	8513	4172	5084	3362	9705	8787	7796	11985	8559	22005	5617	6566	25476	4952	5310	541	7218	10111	8530	7133	7218	9576	8337	7371	3959	11337	7636	0	9214	12937	Peptide	0.3	1.1	0.3
0	C8 H15 O6 N1	222.09721	222.0976	-0.17278837	222.09717	3576	5749	5323	4371	11755	19281	0	8537	4248	0	0	3426	25977	10866	1862	0	0	19806	10280	0	2925	6397	6275	6723	2279	0	0	0	17812	0	10298	8464	30493	44941	2262	6346	12143	1764	1706	0	0	11335	1950	0	0	2395	0	0	7338	2538	4723	3263	12980	347	7047	2245	0	15468	1408	0	4021	0	23960	6622	0	17586	20490	0	0	0	0	48747	29094	5073	0	6483	0	4418	1351	657	0	0	0	0	1379	0	1135	24075	11555	1882	0	4212	9674	0	0	0	4417	4657	1268	1087	1083	4944	4274	0	0	16317	1946	0	0	40812	A-Sugar	0.75	1.875	0.125
10	C8 H15 O6 N1	222.09721	222.09753	-0.06929101	222.0972	0	1236	0	0	0	1212	0	0	0	0	13188	0	0	0	1032	0	0	1498	1958	0	0	0	0	0	0	0	0	67150	0	0	0	0	0	0	0	0	0	814	1107	0	0	0	0	507	607	0	0	522	0	0	1053	0	0	932	0	0	0	0	0	0	0	0	0	0	953	0	0	0	0	0	0	0	0	0	0	0	0	783	0	129543	0	0	0	0	0	0	0	0	0	0	0	0	1962	53201	0	0	1224	1323	0	0	0	0	0	0	0	0	724	0	1015	0	A-Sugar	0.75	1.875	0.125
8	C9 H11 O2 N5	222.09856	222.09879	-0.0668555	222.09854	1359	1469	1486	998	0	0	999	1139	0	0	0	0	0	0	0	0	3173	0	0	0	0	0	0	954	0	0	699	0	2161	1723	27805	2231	19788	2426	0	1205	22007	0	5270	0	0	0	0	0	0	0	0	0	4128	1146	0	1256	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4602	0	0	0	755	0	0	3566	1185	0	0	0	0	746	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	939	1594	0	0	0	17311	0	0	0	1130	0	0	0	0	Peptide	0.22222222	1.2222222	0.5555556
4	C9 H11 O2 N5	222.09856	222.09889	-0.16363561	222.09851	1691	1342	1683	1672	3292	1004	0	907	1426	0	0	532	1723	1194	1164	1875	9311	4236	33500	0	0	0	1044	1521	569	0	0	0	0	1018	950	0	1348	928	0	1318	904	593	11750	0	0	2342	0	0	0	0	0	0	1432	927	1091	1131	1778	0	1479	657	1098	1550	0	0	1879	0	6387	965	1067	4499	1054	7330	0	0	0	1667	1299	838	1146	1002	0	499	713	0	987	0	0	272	5212	2690	1034	3366	1938	3464	0	0	2542	0	0	0	1314	1470	976	1294	1193	1500	896	0	0	967	2003	0	1123	2110	Peptide	0.22222222	1.2222222	0.5555556
6	C9 H11 O2 N5	222.09856	222.09889	0.06115419	222.09857	6349	6691	5740	5637	1368	985	1103	6993	694	0	0	2110	967	1710	1070	44164	1615	3501	22646	0	0	0	2618	15578	4690	0	0	0	15182	1799	3778	9890	5240	8008	0	4920	3289	990	0	0	0	2182	0	0	0	3881	0	0	3727	3539	5830	4872	1716	0	710	469	557	162200	0	0	26253	0	11467	0	1194	1524	6009	42402	0	7652	3054	2194	1655	1245	0	1357	0	4355	1281	0	1587	302	0	0	9025	3277	986	3810	1974	3946	0	0	1861	0	0	0	6421	6208	556	528	0	1980	2980	0	0	16634	1730	0	10193	0	Peptide	0.22222222	1.2222222	0.5555556
2	C12 H15 O3 N1	222.11247	222.11284	-0.051039387	222.11246	264594	267559	218950	258814	271935	219808	164141	336165	254456	231519	205225	233429	314096	150716	205915	338037	364406	370281	361117	243530	293330	347637	218240	278000	147240	106680	167297	124953	292838	245931	285820	292160	385646	263595	289688	290903	343253	188120	382572	191897	197002	257804	36054	47277	65985	151227	194416	62951	308469	274052	234292	260671	272099	92282	344959	160524	170761	326479	111886	205562	305598	109547	299597	308731	154575	322114	279915	423141	117826	141147	146808	257958	303721	269333	289019	258225	56389	190228	183553	105129	148295	112305	109748	121849	186409	164673	182328	335200	337617	462625	151046	194962	530411	140433	195605	80652	249729	282889	191174	192888	198634	344175	229336	249781	132931	385214	180458	56759	153576	395441	Phytochemical	0.25	1.25	0.083333336
6	C12 H15 O3 N1	222.11247	222.1128	-0.045314234	222.11246	503170	501950	466390	502802	221658	288173	523329	638647	181815	296199	198140	454503	208181	138548	380932	733390	749108	406120	476779	301918	366354	324787	264346	556190	322397	224417	448627	163277	837068	771691	701844	1109206	1151713	1011441	407696	936876	1155212	318462	936033	180668	281918	349918	47572	55035	57540	237772	228248	45622	902730	580281	520058	505791	279236	67859	181490	102904	155617	722105	115738	213001	670944	153420	186650	132382	136705	324616	378894	937207	203657	290712	350100	679676	927695	1281492	718259	776452	55423	447770	235391	135397	224750	169922	167933	182973	144756	199186	310254	444026	485804	698620	196249	204930	586982	165665	238122	48686	479835	466344	105963	104469	145145	1064110	467803	207367	107141	739264	164731	51080	310960	270912	Phytochemical	0.25	1.25	0.083333336
8	C10 H15 O1 N5	222.13493	222.13521	-0.18366735	222.1349	1977	1657	1545	1976	0	0	0	36947	0	0	0	0	0	0	0	13550	0	0	0	0	0	0	0	2616	0	0	0	0	6363	23245	20246	0	0	0	0	0	0	715	0	0	0	0	0	0	0	0	0	0	3084	46585	868	1156	0	0	0	0	0	2943	0	0	10173	0	0	0	0	0	0	0	0	0	0	42454	7407	28202	15054	8942	0	0	0	0	0	0	0	0	0	0	0	0	0	20709	0	0	12078	0	0	0	1171	1474	0	0	0	0	0	0	0	3473	0	0	0	0	Unclassified	0.1	1.5	0.5
2	C7 H19 O1 N5 S1	222.1383	222.13852	-0.31748572	222.13824	0	0	0	0	0	49109	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1132	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4784	1056	0	673	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14285715	2.7142856	0.71428573
2	C13 H19 O2 N1	222.14885	222.1492	-0.13132346	222.14882	6344267	6223623	5647958	4935043	108058	135432267	241856	337487	81870	312690	147222	211521	48307	85810	157001	598791	361381	125084	424879	357806	332001	711906	120499	384088	340922	79898	336109	123511	293804	284414	403116	320262	433986	288411	337063	329486	382276	136187	386406	225499	172368	37115753	3849	1355	1768	154577	176663	1876	398350	253295	5970661	5477036	137299	1725	65335	15953	230055	475289	21255	54118	505248	91090	51113	56871	111597	158513	2212071	413198	55670	123352	134411	253208	273886	346743	472578	271268	1161	325797	190238	150678	122106	64170	85205	231000	35056	61532	239906	371142	277812	1069691	658951	382401	1325904	243364	607123	2549	4954121	5796248	54815	18432	28143	417653	163129	331840	83544	873961	34026	1463	287009	61965	Lipid	0.15384616	1.4615384	0.07692308
16	C13 H19 O2 N1	222.14885	222.1491	-0.11097718	222.14883	32474	45611	39669	45639	51014	62539	31165	30281	11777	76720	55427	21919	4693	14001	14266	43546	55742	51517	39584	95507	97349	62996	10548	25452	16472	74381	30607	57869	31591	34356	26736	36450	41970	35256	80421	39948	35093	15894	64334	66895	110638	26509	1909	1471	1440	66097	134130	1177	42922	27566	46332	43750	37123	2107	11601	3150	10406	43933	27378	81726	31585	43886	60972	15191	15748	19223	21676	49795	56788	84606	89276	30579	37599	42347	46270	41003	1214	13931	15661	70005	9803	56321	43442	57524	75747	17074	20649	30072	62230	73559	70361	74384	36214	77853	109182	1851	42683	41958	16027	5653	3703	41736	13142	49647	36789	26597	35025	1048	21495	33116	Lipid	0.15384616	1.4615384	0.07692308
10	C13 H19 O2 N1	222.14885	222.14912	-0.118586294	222.14883	22413	20430	20861	18190	88122	36132	13920	20585	10855	22438	15814	12957	12879	44970	11063	30844	19314	22207	23044	26306	34272	23843	10865	23903	13956	16810	17251	34596	21975	18589	12681	24321	26009	20097	28424	18998	25296	10195	29400	23461	22168	32453	1987	1151	1047	15439	25775	1441	24367	17506	22408	21349	44314	1422	8677	5580	11702	30635	4989	12496	21010	7969	7260	7563	7988	23559	32556	27947	14513	19421	28391	17985	20000	14889	29796	16836	1052	10789	12547	18227	10324	13319	7498	16098	8194	7171	15634	19124	17646	35919	25626	15415	33760	19334	23523	1344	22487	23103	10748	8863	9204	26349	12132	13705	0	20243	22488	1529	13636	11466	Lipid	0.15384616	1.4615384	0.07692308
24	C13 H19 O2 N1	222.14885	222.14903	-0.065196685	222.14883	2836	2767	2676	4418	1162	25400	3462	4728	0	0	1243	2211	0	0	2339	8445	2730	0	3218	0	0	0	0	2526	2130	0	7164	1854	0	3255	9205	7877	2368	9855	0	9169	2421	1576	4154	0	1187	42089	0	0	0	0	5617	0	11145	6599	4651	2552	967	0	0	0	0	8729	996	3055	5940	0	0	0	0	1318	6900	2154	0	0	0	4290	5720	6627	8664	7040	0	1452	0	1399	1123	1088	0	0	0	0	4182	2177	55930	6450	2319	0	1862	0	0	0	2069	2193	0	0	0	2257	2482	0	0	1068	0	0	2784	0	Lipid	0.15384616	1.4615384	0.07692308
18	C13 H19 O2 N1	222.14885	222.14908	-0.11739488	222.14883	12893	14945	13710	13806	7026	13883	12684	11395	3256	23689	13285	11353	3503	6954	9918	23106	28258	6193	5280	21208	26343	21445	5798	14365	7807	20341	13365	17653	14163	15717	12769	17947	23107	20186	18129	15585	23250	7605	32547	20770	38597	7139	2388	1412	1199	23417	42346	1787	16001	12093	15627	16572	8640	1858	0	2687	3827	20034	12766	25147	19811	13384	4828	4318	4043	8690	6481	36076	17456	18260	23714	10163	15403	19934	21892	17921	1052	8047	8247	21391	6037	21800	19057	17185	7288	4048	18567	14204	13002	38788	28929	33012	26274	21251	28018	2016	17163	15006	3007	2295	3893	20710	7594	17215	14070	11956	4414	1339	16493	4884	Lipid	0.15384616	1.4615384	0.07692308
12	C13 H19 O2 N1	222.14885	222.14912	-0.16112189	222.14882	31192	35401	32694	34184	44456	18768	18484	15458	5770	55447	26350	10899	5018	18568	8245	40762	20638	9745	10162	64617	45889	76977	10895	32111	16310	43726	24347	11163	14091	23471	14385	25392	18647	21471	32953	22862	20445	8852	24206	49576	74983	16214	1474	1179	1066	63742	107999	1701	31512	17925	34268	32886	22196	1516	5429	3688	9799	25335	11093	30878	27250	20346	4511	5339	8996	9092	16195	30005	22829	40662	64591	13128	17372	32591	44797	28796	836	8934	11831	21970	8722	34392	29268	32413	6034	7276	22627	11581	12277	131588	71644	53257	131627	28665	70998	1450	33127	36949	4450	4615	3166	27526	10094	40502	25453	38263	25576	1303	22239	5396	Lipid	0.15384616	1.4615384	0.07692308
14	C13 H19 O2 N1	222.14885	222.14911	-0.12983206	222.14882	54058	56507	49532	51081	17510	170467	30832	20157	6552	129925	78303	21520	3954	12086	11096	42998	39559	12906	10004	101947	123460	74467	7517	21162	18660	111529	45348	54754	19980	20558	30921	64604	38982	106179	93415	42430	37035	11836	43556	98936	153662	44617	0	1140	1027	70605	127926	951	35660	23560	49778	47332	50610	1786	5313	2951	8552	51424	15617	53346	30541	55533	8692	8924	9887	15853	28363	43870	99020	100308	168434	24190	42287	22514	32326	27263	1195	17996	16935	48525	8971	58339	51441	86245	12008	9463	24944	17385	45445	98589	75326	70550	48750	69338	114526	1845	49602	39156	8091	3355	4047	30781	19782	48784	24781	32705	10681	1154	32445	10151	Lipid	0.15384616	1.4615384	0.07692308
6	C12 H19 O1 N3	222.1601	222.16034	-0.15168801	222.16005	624	1103	964	1415	0	0	539	1269	0	1844	0	570	0	457	637	0	1562	0	724	2381	2352	832	700	1233	565	0	470	0	864	837	1010	2130	2104	1613	2052	1923	1500	577	1919	1332	0	911	0	0	0	1549	1895	0	1838	2642	1476	812	669	0	0	0	492	2063	0	0	3547	0	0	0	0	0	0	4880	0	0	0	1789	1382	1772	1996	1508	0	502	0	0	934	0	0	0	0	0	0	6020	0	3490	0	0	1822	1095	1516	0	1652	1074	0	0	0	0	0	0	0	29893	0	0	466	0	Unclassified	0.083333336	1.5833334	0.25
22	C14 H23 O1 N1	222.18524	222.18552	-0.077413104	222.18523	5255	3762	1784	4234	0	1561	0	0	0	5968	6231	0	0	0	0	0	0	0	0	2754	5689	0	0	0	0	58149	0	4408	0	2448	0	0	0	1590	1997	0	0	0	2053	18847	20786	0	0	0	0	74177	139728	0	1227	0	3740	4822	0	823	0	0	0	0	1202	1937	0	11039	0	0	0	2399	2347	1869	41768	48895	61015	0	0	0	0	0	0	0	0	5909	0	52219	2512	16965	0	0	0	0	0	0	2339	0	0	1364	4100	0	4582	5966	0	0	0	0	0	0	51356	0	1549	0	0	0	Lipid	0.071428575	1.6428572	0.071428575
6	C14 H23 O1 N1	222.18524	222.18555	-0.11821754	222.18521	8066	10949	8263	9099	2621	2990	2380	7260	1704	31788	13641	3205	2492	11049	3444	11529	4148	2373	5745	25197	33379	7344	3904	10751	4210	31201	5825	15255	6449	5194	6954	8170	7008	7403	39072	4821	7975	4021	5579	13697	0	3940	0	0	0	9691	13041	0	11058	6605	9360	6966	4136	0	0	761	2405	12140	0	0	8728	6379	736	0	2398	4950	5512	9606	20612	34948	39714	12910	5966	5356	8050	6742	0	3726	7205	7236	5733	419	0	14645	839	972	11643	6335	6191	26574	30339	0	18549	14414	31081	0	9467	8282	1313	916	1438	7682	4101	4201	0	8832	894	0	4593	1317	Lipid	0.071428575	1.6428572	0.071428575
24	C14 H23 O1 N1	222.18524	222.18542	-0.14748585	222.18521	4203	5071	7284	6060	969	1351	0	2683	0	5919	6901	1987	0	0	0	3770	5109	0	0	6049	7922	12110	0	2807	0	37756	0	8172	0	1420	2187	2050	1651	2102	2527	2042	1646	809	5479	22526	26759	0	0	0	0	23468	39411	0	2741	1687	5150	4201	0	0	0	0	0	4264	20618	14657	1516	13613	0	0	0	0	2050	5767	26566	21939	36426	1846	1794	3034	3281	2247	0	1749	2021	23123	0	18471	5717	16785	0	0	2390	1269	0	8871	21448	19477	3937	15937	18392	0	4807	6482	1745	0	0	1358	1640	15793	51857	4391	0	0	1451	0	Lipid	0.071428575	1.6428572	0.071428575
14	C15 H27 N1	222.22163	222.22192	-0.073831245	222.2216	0	0	0	0	0	0	0	0	0	3868	0	0	0	0	0	0	0	0	0	12986	11875	0	0	0	1907	25652	0	0	0	0	0	0	0	0	5713	2068	0	0	0	3206	0	1438	0	0	0	0	5939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1440	0	15575	14859	0	1364	0	0	2522	0	0	0	0	0	0	0	5892	0	0	0	0	1584	0	3551	0	0	0	6051	0	0	0	0	0	0	0	1110	0	0	21108	0	0	0	0	Lipid	0.0	1.8	0.06666667
16	C9 H6 O3 N2 S1	223.0172	223.01741	-0.108981326	223.01717	3481	2247	6668	4472	0	0	12773	10398	0	0	0	7422	0	2838	6648	14935	11915	0	4415	0	0	2877	4239	14931	5827	0	13586	0	11231	11514	10400	5316	11217	0	0	7512	11848	8533	11795	0	0	5671	0	0	0	2477	0	0	11452	10994	3690	4511	0	281	0	0	1873	9651	0	0	16510	0	0	0	3490	0	2317	0	0	0	0	8750	6161	4804	11801	6641	0	6481	11735	0	11642	0	0	0	0	3864	8803	5974	6277	0	0	0	0	0	0	506	1630	2215	0	0	0	14541	8845	0	0	23062	0	0	11376	0	Organosulfur	0.33333334	0.6666667	0.22222222
12	C10 H6 O6	223.02371	223.02397	-0.046928428	223.0237	5176	4654	3419	4361	17618	12935	2456	2430	14341	0	2323	3208	21167	14705	4180	2475	2448	17544	24382	0	1408	0	8671	2919	1810	0	11169	0	3015	4249	2506	3349	3787	2431	0	2692	4249	4229	1531	0	0	10848	1104	697	1663	0	0	2258	2233	2110	4316	5206	11756	979	15287	13135	9827	3173	0	0	0	0	30657	15625	9286	25576	10412	0	0	0	0	2706	2169	1318	0	3086	1130	5019	7946	0	5688	1013	0	0	14436	8917	7364	8354	13129	0	0	2400	3813	0	0	1934	6456	8275	13037	12432	12422	4416	5201	0	0	3042	7651	1035	2977	31811	Phytochemical	0.6	0.6	0.0
10	C10 H6 O6	223.02371	223.02394	-0.08767585	223.0237	3237	3480	2893	3021	20678	7231	1127	0	14763	0	0	2131	19781	8828	2016	2373	1063	16388	15248	1296	0	1858	3400	0	1065	0	1275	0	1718	0	1531	0	1922	1097	2302	0	2122	2533	1470	0	0	6081	992	922	1413	0	0	1450	0	0	1802	4877	10841	1140	9841	8964	7179	2150	0	0	0	0	24144	10964	4345	22606	5374	1402	0	0	0	0	0	0	0	1072	1259	1696	2551	0	3359	1101	0	0	15385	4670	2604	6789	9717	1461	0	0	1875	1344	0	2172	2398	2666	8089	12914	14585	1601	3522	0	0	2715	7929	727	1043	23387	Phytochemical	0.6	0.6	0.0
16	C10 H6 O6	223.02371	223.02393	-0.119643554	223.02368	4342	2249	2757	3888	15557	7786	2050	3198	11901	0	0	4089	16764	15799	1447	3019	4325	12638	14759	0	0	2390	4513	2550	2115	0	1704	0	0	1504	2966	0	0	1624	0	1993	1954	1616	2097	0	0	6946	1581	1198	2649	0	1648	2843	2281	0	3780	3900	10024	944	6382	10082	6321	3329	0	0	0	0	25085	8883	6984	16119	7350	2914	0	0	0	2520	2407	0	1784	2727	1623	2670	3351	0	4195	2053	0	0	9170	3462	4133	7700	10041	0	0	2351	0	1303	0	2541	3031	3307	9528	14988	13359	2494	4703	0	0	0	6812	1720	1365	21488	Phytochemical	0.6	0.6	0.0
14	C10 H6 O6	223.02371	223.02397	-0.043307595	223.02371	10414	9406	8202	10086	24280	12807	2524	11316	16652	3430	11958	8847	25889	18206	6683	7780	4994	15624	21495	0	0	4990	14144	5652	2725	0	2860	13259	9334	15897	13940	13361	3372	17186	5161	13187	4125	6551	4839	0	0	11693	0	1223	1741	0	0	2531	6692	9150	8336	7201	17589	1432	11177	8981	12385	7414	0	0	0	0	29526	15337	9334	31521	7506	7260	0	0	0	10566	14514	13656	2080	17983	1683	5598	9537	26826	10780	3858	0	0	17694	10448	14065	10093	13586	14674	10512	3954	12559	7364	4382	2736	4572	8101	13553	19420	11495	5892	8673	0	0	7810	7804	1378	4402	26798	Phytochemical	0.6	0.6	0.0
10	C9 H6 O5 N2	223.03494	223.03522	-0.021869428	223.03494	3437	2162	5472	4767	5344	2770	3364	5867	2431	0	0	5550	4546	1503	5260	11566	6025	7201	7576	0	0	9084	7573	13542	6012	0	3549	0	3066	3336	4132	3606	6811	2827	0	1984	4956	5056	5422	0	0	5430	0	0	0	2226	0	0	7825	4911	3459	5800	4500	0	1772	0	1914	10362	0	0	10312	0	4203	2716	2670	6347	5009	9534	0	1842	0	4549	2734	0	6363	4191	0	4145	7694	0	7816	0	0	0	2519	2732	7780	9507	6070	21396	0	0	23457	0	1118	0	4449	3510	1219	854	1914	6132	4694	0	0	14005	1329	0	9814	8476	Unclassified	0.5555556	0.6666667	0.22222222
18	C11 H10 O3 S1	223.04234	223.04256	-0.08766582	223.04233	3384	5158	2850	4389	9372	9901	3137	2158	4132	5660	2824	1860	6378	4744	0	2947	2323	17789	9483	2273	0	6349	1226	2903	3636	0	1420	2587	3046	0	0	3063	2908	0	6479	1778	3504	2449	4636	3634	1911	3830	329	0	0	0	3147	408	2091	0	2544	2206	6397	285	6007	2393	2674	5831	2144	3528	4669	2394	2345	2480	2636	8219	6805	4646	1208	1669	0	1195	1433	0	1783	0	327	0	0	8040	1788	3764	1697	1550	1789	4054	8526	6443	7736	2977	20689	13563	4613	7691	4477	403	4247	4307	6883	2104	2871	3955	1688	3624	0	4939	5249	340	2024	5242	Organosulfur	0.27272728	0.90909094	0.0
6	C10 H10 O2 N2 S1	223.05357	223.05391	0.061511956	223.05359	4348	3293	3909	4149	2668	3512	3744	3662	1594	1131	1939	3275	1138	1417	1795	8852	5825	4166	6218	1156	2711	3346	3479	8238	4259	0	3113	0	3774	2051	3956	4818	8693	5036	1877	2524	8888	2318	9960	1854	3756	4230	0	0	0	2126	1345	0	6624	3394	4921	4361	4282	0	1512	0	1869	8638	1046	1691	5969	0	589	1945	1738	2101	3446	10178	0	0	0	3480	3019	1904	2823	2601	0	1572	7020	0	3916	1229	1290	1424	1419	1586	8090	4604	4661	21878	4243	4977	16119	1786	2090	0	4609	3467	1466	702	1171	5610	2627	2119	0	8873	1805	0	4332	2084	Peptide	0.2	1.0	0.2
4	C15 H10 S1	223.0576	223.05807	0.4984525	223.05771	0	582	0	0	640	298	0	0	0	0	0	0	551	678	0	829	0	272	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	406	503	0	0	0	443	385	319	0	0	0	706	336	0	938	726	0	0	0	0	382	0	0	21463	361	0	0	0	0	0	0	0	0	0	339	0	432	0	0	0	0	0	0	0	0	0	0	946	674	0	0	0	0	0	0	489	0	0	278	Organosulfur	0.0	0.6666667	0.0
16	C11 H10 O5	223.0601	223.06035	-0.075334825	223.06009	85086	95191	82698	84391	167104	143192	73829	68668	169316	54528	46526	53335	239052	165297	89366	74306	68178	223385	202096	57043	47369	75065	113910	80698	74642	23499	57494	35457	76223	62953	68684	77107	109858	67936	74502	67771	109143	75949	65769	47879	34397	88431	21702	18451	29178	62809	36930	30757	91541	56406	89562	87957	141661	19235	168597	124282	86299	102227	41441	39984	93258	25549	213246	136929	68701	214372	115152	64062	22566	27577	36960	70815	60497	67903	49608	69051	22430	57797	119489	65790	88171	48013	35816	31798	152491	102935	110754	98219	105877	69786	80547	77117	76734	44592	45028	32491	86178	88195	110456	135664	164712	99776	63402	46618	33144	75463	108614	21660	73215	236779	Phytochemical	0.45454547	0.90909094	0.0
14	C11 H10 O5	223.0601	223.06038	-0.06925004	223.06009	153663	154818	131852	146586	319941	241099	111817	115663	314445	67627	66377	88976	498932	266186	127854	115808	103508	431584	340736	76072	73813	117177	154428	106340	115775	29167	104007	66033	111635	93347	105400	130322	179428	111469	109986	113549	164662	116312	99313	58125	52576	153710	24723	19502	25661	65979	46054	31716	115252	86804	129020	131585	241507	23169	357120	224183	149596	169944	70012	49434	124738	42776	390066	278292	136077	384202	213047	102513	32416	50061	44771	93012	101185	103526	75675	113247	20603	98635	139236	83835	129496	60449	48933	32821	255329	164725	185773	161372	197814	113278	84220	84348	130578	54593	63038	37573	149694	148482	206605	281566	277217	140975	107142	69880	36080	114609	185630	26073	101350	397265	Phytochemical	0.45454547	0.90909094	0.0
8	C11 H10 O5	223.0601	223.06041	-0.025334893	223.06009	133631	158914	94070	142223	333567	189791	79516	78142	352917	76389	79795	81293	487533	221475	86949	101439	114890	378537	417820	78567	87291	87343	113254	77331	50888	19060	75134	53262	80886	85443	80946	101453	137173	85242	111130	83992	138061	82722	122469	57093	63689	177143	18817	15319	29485	61249	56580	24707	92543	63205	125033	135217	256755	19393	360705	263988	162029	103382	55932	64225	106824	41218	455581	334004	139523	405302	167176	117251	39126	34250	34501	72903	87591	76002	92622	98816	19168	73099	107989	53792	102665	56253	49255	28813	315318	167507	123610	171723	232648	87891	60936	80120	82690	64938	59256	25203	129086	133832	278450	397751	380848	142820	86994	74275	31651	73009	288741	16683	68990	519373	Phytochemical	0.45454547	0.90909094	0.0
18	C11 H10 O5	223.0601	223.06033	-0.08183502	223.06009	57005	56876	47517	55932	95372	85037	47104	49666	78413	28021	32967	41593	150531	86742	51238	56182	45672	130013	116550	33627	27192	45195	74935	54631	47372	23587	48636	21991	52002	43454	51999	47041	68957	43109	46495	45144	67212	50387	52384	33712	24682	55700	18819	14822	26865	39535	28699	22421	57375	36250	58210	56663	80156	15898	109596	79655	57322	69607	28369	23403	59351	23898	124992	71767	47148	129143	70463	50503	22254	22698	27713	47217	37710	42185	35622	47602	19724	32826	71281	32852	76812	36390	28796	21555	92376	68277	70550	62917	70597	57403	40383	39516	73571	23784	28615	25113	53917	61707	82127	91164	98428	60408	48126	33532	27463	44395	56772	17329	47841	127149	Phytochemical	0.45454547	0.90909094	0.0
10	C11 H10 O5	223.0601	223.0604	-0.037588496	223.06009	209327	182789	159846	165150	461269	280237	111907	134897	447514	101430	93185	123100	652983	292079	133292	160624	135092	638879	599893	108127	116434	126119	174529	111913	97803	24811	112855	68039	151993	139925	137379	157838	246368	149145	140563	146341	227934	130847	153458	64077	69168	221901	31080	18767	30972	82447	50290	29309	148219	109409	178075	190672	351858	24633	492967	332806	157389	187247	80407	67575	179274	51158	538713	424055	160764	530155	255717	156854	49045	48335	45476	114789	133676	128665	145456	140163	21584	105361	149960	76591	138772	73659	58441	32454	408316	243731	188880	232896	290902	115273	104169	94143	127248	88728	77705	32223	183951	194777	317203	388823	403403	202199	135653	87686	53009	125731	333566	23542	94169	682339	Phytochemical	0.45454547	0.90909094	0.0
12	C11 H10 O5	223.0601	223.0604	-0.05864742	223.06009	196604	235786	210292	212376	439637	311675	151013	131784	491693	103480	118295	103680	556306	353351	165407	192443	127626	648442	594337	121409	99903	140869	200311	115074	125849	25965	153906	111479	173631	142068	156695	181030	245245	155692	152270	148678	222310	160702	145102	74557	62708	239465	25106	20258	29088	79827	58635	30483	194031	120912	216153	223160	393279	23217	570274	272986	205035	213028	76861	54610	202178	51220	658435	411907	158923	622655	294792	134228	35952	57169	57411	128789	159315	133814	132116	171056	17398	135862	143964	102227	152771	70317	60145	33360	337243	252991	193203	246505	320509	148087	124854	124686	131206	74494	88636	34167	218894	209351	305853	341483	332008	247113	130524	78627	48483	145101	317881	24781	107002	725563	Phytochemical	0.45454547	0.90909094	0.0
6	C11 H10 O5	223.0601	223.06044	0.018188344	223.0601	79320	92205	67167	86618	182728	95577	50545	50663	208595	45911	53110	48629	268326	121015	51047	66975	56125	235090	222284	45531	58947	56447	68817	56298	30322	15602	43413	24590	58957	54693	52531	60407	85739	56232	64859	53480	79629	47744	76196	32941	42734	103313	16919	14597	26224	47438	40312	20349	64540	42196	81290	82355	144579	18199	177062	184166	93707	80852	33385	43314	62459	22588	524954	155594	73188	218299	98098	82257	32967	24455	30005	48499	49451	49149	40726	60864	17189	40511	57235	21463	59072	41350	33951	18907	178947	109912	62046	98207	138666	57169	36850	41918	45486	35641	36757	24864	79615	81594	142141	226720	249207	87900	59717	49357	28465	57903	163190	15421	38538	615396	Phytochemical	0.45454547	0.90909094	0.0
12	C10 H10 O4 N2	223.07133	223.07162	-0.02763439	223.07132	21819	27267	27247	32569	22006	19727	23619	27584	18281	4606	5321	19231	16898	12456	24417	44737	42429	34223	34132	4597	5513	37238	26682	40571	26109	1049	23092	0	20272	20302	22162	29168	35119	26752	5189	20606	31450	21857	50447	3387	0	23644	1567	1308	2236	5922	0	2185	31759	21266	24570	27187	27095	1534	21939	7991	17083	48299	0	0	56573	3239	22746	19211	13086	25502	27534	58247	0	0	3277	25024	16592	12000	36025	19562	1261	17232	33908	0	29376	5988	5690	1373	12100	14688	38030	40169	31244	116153	14351	17027	93403	7318	6196	2198	26812	32276	13717	11166	6867	35731	21443	4278	0	47257	12500	1977	33264	39822	Peptide	0.4	1.0	0.2
8	C10 H10 O4 N2	223.07133	223.07164	-0.03916285	223.07132	62861	69334	48210	69310	64419	53853	41248	70053	68525	18551	21220	50645	69197	30148	56153	99809	108990	105781	116690	19584	21876	84270	68553	94109	45524	1580	50994	14973	54411	40098	51493	58683	91380	55563	29399	45378	97906	57192	133591	12468	20309	74892	2676	1569	1624	33622	14569	1608	71975	49732	58334	64702	72842	1679	88199	31136	47166	77862	23114	22967	94588	8165	74928	79767	40188	78978	70363	117788	5940	11336	8797	48874	43645	26858	61071	53110	1295	42028	83573	15412	64930	17017	17586	6531	45524	45491	87474	88490	88085	224681	19631	27968	187536	14131	15091	2289	62225	63106	46970	40243	37333	86052	50459	23318	0	113703	45068	1237	57753	126676	Peptide	0.4	1.0	0.2
10	C10 H10 O4 N2	223.07133	223.07162	-0.027703658	223.07132	62020	54433	57579	53122	46247	51650	54846	79414	39992	15015	11424	63574	36021	28374	50653	118693	108859	76554	78823	11269	12361	62899	60241	89032	51168	1733	66166	12954	76933	62346	69301	89353	109843	81408	18252	65628	101652	58749	167265	7063	14175	64877	3015	2246	1743	26169	9508	2054	103190	59255	62285	54630	61686	2587	45506	16799	30239	140353	11790	16374	111499	6310	40809	46876	35571	56386	71018	143814	0	9191	8826	65023	61193	34471	75306	71849	1522	49644	78613	15998	62173	13333	10462	4204	32470	32914	82300	84689	86038	155741	22531	23994	135063	12225	13172	2867	59668	52499	28443	18118	17718	98616	61662	19557	0	98854	25377	1748	66605	70368	Peptide	0.4	1.0	0.2
2	C10 H10 O4 N2	223.07133	223.07169	-0.1278293	223.0713	15083	13359	10659	14279	31724	20670	10451	15601	28232	3275	6140	15740	37128	13150	12564	6606	16480	40598	33706	5321	8163	17683	14605	13064	7015	1608	3490	4070	19114	8718	17026	14036	26808	14453	8148	10832	18835	11877	17907	5570	4196	24655	1018	999	1371	6425	4749	1428	12580	7638	13804	15110	34617	1173	28982	14353	17889	19157	3748	5968	9173	2398	58431	36307	19703	41159	29191	24449	3283	3915	3471	11774	15555	6446	5777	13737	1093	11036	12387	2745	9377	5274	4279	2381	19495	16255	13401	44871	40571	27054	4776	5153	32020	3411	2435	2725	13599	13695	18173	21444	19709	14917	14223	5573	3504	21266	17959	1191	12012	71953	Peptide	0.4	1.0	0.2
14	C10 H10 O4 N2	223.07133	223.07158	-0.044713844	223.07132	4273	7491	8679	8599	4181	4697	12419	6672	4548	0	3094	10866	2522	5290	8873	13216	14896	9010	7866	0	2393	6393	9857	9059	10159	0	13212	0	4809	4169	6316	7348	11848	8874	0	4966	10484	9187	16485	1969	0	6766	0	1210	1558	2288	0	1606	9384	7376	6026	6699	6295	982	6709	2629	5349	11507	0	0	0	0	3910	5943	4088	8141	6954	22098	0	0	0	6468	4889	3485	10686	5773	1081	7556	15817	0	11811	2781	3174	0	6038	3570	13932	12012	9040	30492	5240	5249	21037	0	1513	1764	7445	6423	4480	3902	2678	9762	10750	2074	0	12765	2372	1435	12757	9328	Peptide	0.4	1.0	0.2
0	C7 H14 O4 N2 S1	223.0747	223.07498	-0.20553015	223.07466	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8165	1806	0	1594	0	3836	0	0	0	0	0	583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2116	0	0	0	0	0	0	0	0	0	0	0	0	96836	0	0	0	0	0	0	0	0	0	0	1292	0	0	6347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5714286	2.0	0.2857143
22	C12 H14 O2 S1	223.07872	223.07896	-0.021016754	223.07872	2486	4605	4516	4632	2420	2487	0	0	1820	13478	11625	0	1733	0	1799	2703	2218	3917	2053	14048	15355	8571	1912	2262	3974	3059	1141	14656	1222	0	0	0	1373	0	15211	0	2882	1226	2093	6648	8576	1535	0	0	0	6932	7330	0	1374	0	2688	4226	1939	0	0	1375	1677	2992	5513	5979	1954	6390	1544	1109	0	1432	2728	1800	0	0	2227	0	0	0	0	0	0	0	0	16348	0	4531	6216	5731	0	0	2638	2090	2617	3097	30937	26555	0	9891	22522	0	3876	1392	2356	1357	1775	2209	1365	7075	6877	0	1507	0	2279	3036	Organosulfur	0.16666667	1.1666666	0.0
4	C10 H15 O4 Na1	223.09409	223.0946	0.13471107	223.09412	711	0	0	0	407	465	0	0	301	0	0	385	0	1296	0	1439	0	0	0	0	0	0	0	0	241	0	1118	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	283	536	341	0	0	0	0	463	494	0	578	658	0	0	0	0	0	0	0	32009	0	0	0	0	0	308	0	279	338	0	471	0	0	0	0	0	0	0	0	0	0	0	513	0	790	630	0	0	0	0	349	589	0	0	398	Lipid	0.4	1.5	0.0
16	C10 H15 O4 Na1	223.09409	223.09436	0.28325087	223.09415	695433	749387	673453	722684	1056271	976980	689773	700908	1157093	522646	361291	476613	1340601	847396	751734	766180	676605	1620319	1389584	669105	542334	528997	664256	544365	650376	215867	588117	365752	811712	736076	722513	884540	1168749	803043	643271	830059	1107399	597652	727739	445093	300123	796547	105224	90360	107686	414186	296991	106965	975041	598246	756822	720934	1008196	86082	1223744	757876	633645	987613	470195	355406	722294	250544	1106762	911030	505733	1267991	892314	637662	211889	328249	269955	694138	775612	791862	616606	816084	87701	489090	625514	382859	474324	386272	558323	373656	852746	646737	726546	761858	939563	602781	747411	708124	623822	311266	456636	118401	715002	753100	770462	809557	952880	1100951	508247	555080	239684	630534	793980	86368	584446	1399448	Lipid	0.4	1.5	0.0
8	C10 H15 O4 Na1	223.09409	223.09444	0.29564226	223.09415	4360	3559	4273	4182	2601	3214	13573	1089	1085	2146	2499	3354	927	49914	1779	7241	2226	0	876	855	0	2056	1012	0	3153	5333	24938	3247	2277	2557	4021	6371	2187	6028	0	3941	2623	3596	6063	0	4341	2021	4430	0	0	0	1581	0	5060	2313	3624	3592	1421	402	0	934	4545	3423	1107	2922	0	2050	2934	1167	24744	7142	23914	3514	0	4588	3053	3635	7324	2552	194157	5286	0	2796	2539	0	1623	5803	30823	123106	0	0	4684	2898	3690	3323	0	0	0	0	1915	1295	3906	1956	4303	2840	0	1878	2349	0	0	2702	3296	0	3317	852	Lipid	0.4	1.5	0.0
6	C10 H15 O4 Na1	223.09409	223.09442	0.26679075	223.09415	1172269	1231054	974174	1146241	1288229	459102	1023682	1083593	765465	473220	429277	816992	757154	528313	934348	1123352	1139604	1781068	1812504	553746	620810	1122706	955896	949912	631190	383275	917179	285548	1209405	1162427	1049271	1200938	1457945	959685	587350	1202397	1309417	867777	1478254	328012	469511	1204989	165700	151436	195074	484720	507040	175386	1222857	927969	1158214	1175945	1244836	155672	858224	695610	995556	1273968	384148	1019029	1173982	272586	850076	575528	385799	706925	1105747	1471958	476128	487030	602506	787158	1044153	569045	555733	1158072	145402	358913	923380	211692	902138	475583	1031624	393667	706866	528360	1160517	980418	1252075	1268026	388616	479190	972436	370434	448142	192640	1100185	1115002	579966	836793	980738	1480634	998431	546728	312542	458284	717605	160446	729891	834196	Lipid	0.4	1.5	0.0
18	C10 H15 O4 Na1	223.09409	223.09425	0.18411396	223.09412	437640	463107	389539	408151	536818	501458	401062	423715	577156	273376	219554	288946	762866	512101	448098	446972	356799	826166	755251	345954	273854	327461	438650	361742	388652	163949	359012	240102	518386	447806	430883	518396	680678	473603	334637	463887	674817	384434	425876	261360	194316	433064	105587	79450	105858	247280	175212	98287	542200	338628	433001	414463	499318	79889	749336	459270	381446	571078	267491	199860	462023	167391	627879	504810	322445	655496	488440	406533	157073	224322	207603	393863	366940	473273	350152	475821	79118	317827	398833	206083	355770	217454	298627	197614	448326	405652	428643	431775	523148	336942	415020	435611	477897	167926	221459	115864	433855	412671	429318	442817	491575	579647	333002	369248	144538	354296	385568	84369	374596	658147	Lipid	0.4	1.5	0.0
20	C11 H11 N4 Na1	223.09541	223.09557	0.054215796	223.09543	424293	444745	432989	364453	426842	345776	244573	344826	318449	272333	226758	244658	524412	345453	313049	303161	664144	478070	404744	261864	404268	389445	281057	370368	249624	160298	276249	295852	361782	335285	372189	384922	716683	333476	388965	367499	697554	246709	588257	201163	583921	419908	161310	138673	140344	212142	3468835	157554	364952	278600	432736	456973	407912	280094	358715	310508	332092	385091	209104	512089	320128	126418	412256	411663	266008	560329	285827	752721	137390	192364	596164	290161	298873	350943	266375	393799	181329	244586	268263	173511	231532	193920	235573	159956	301010	305451	278755	415221	303756	487114	296137	514893	651649	132803	166418	154172	437869	434482	284703	362272	461450	669241	277270	270012	189949	2723972	353994	139975	245323	480314	Unclassified	0.0	1.0	0.36363637
20	C13 H10 N4	223.09782	223.09802	-0.28151435	223.09776	0	1700	5422	2215	0	0	0	0	0	0	0	1464	0	0	0	0	2247	0	0	0	0	1931	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2410	0	0	0	444	0	0	0	26174	0	0	0	1767	0	0	0	0	2068	2540	0	0	0	1811	0	0	0	0	0	0	0	0	0	3193	0	0	0	0	0	0	0	0	0	0	0	1665	0	0	1298	0	0	0	0	0	0	0	0	0	0	0	1647	0	0	0	0	0	0	2044	8253	0	0	0	0	Unclassified	0.0	0.7692308	0.30769232
16	C13 H10 N4	223.09782	223.09802	-0.26675504	223.09776	695433	749387	673453	722684	1056271	972178	689773	697262	1154047	522646	361291	476613	1337045	846471	751734	766180	676605	1620319	1389584	669105	542334	528997	664256	544365	650376	215867	586860	365752	811712	736076	722513	884540	1162376	803043	643271	824555	1107399	592153	727739	445093	300123	796547	104762	89239	107114	414186	296991	105821	975041	598246	756822	720934	1008196	85310	1223744	757876	633645	987613	470195	355406	722294	250544	1106762	911030	504779	1265887	892314	637662	211889	328249	269955	694138	775612	791862	614476	816084	86293	489090	625514	382859	472377	384955	558323	373656	849737	645630	726546	761858	939563	602781	747411	708124	623822	311266	456636	117576	715002	753100	770462	809557	952880	1099026	508247	555080	239684	630534	793980	85230	584446	1399448	Unclassified	0.0	0.7692308	0.30769232
16	C11 H14 O3 N2	223.10771	223.10797	-0.071333945	223.1077	7805	9494	5810	10199	5618	7370	11026	10428	4589	1710	4172	12395	2055	5808	11332	16021	27918	5888	6497	3361	0	10408	11119	15454	7877	0	11075	7301	14983	13018	10682	14019	18202	13248	2628	11180	16550	10315	29329	5040	2844	11142	1949	3288	2963	4776	3592	3524	15849	9317	7591	13173	7253	2731	2086	2624	6509	17725	4092	4969	13559	1664	3505	3088	5100	9907	8950	28402	0	0	4943	9682	10146	8803	12740	16818	2734	5343	14702	7883	7099	3416	5258	2015	2458	4714	16197	15844	11228	42981	13296	8911	0	4101	2690	3528	11146	8536	3104	4220	3489	16295	11319	3798	0	13404	1835	2760	16658	4530	Peptide	0.27272728	1.2727273	0.18181819
20	C16 H14 O1	223.11174	223.11197	-0.0984444	223.11172	10199	10378	9793	10220	11139	6270	10382	17062	5339	12441	7703	11387	7525	9673	14081	17161	16970	7372	11757	12213	10853	12141	8979	14069	12871	10770	10233	7364	12616	12328	13354	12763	14483	9122	6559	11917	17067	10822	23168	8744	11045	7598	1356	623	503	11924	12941	642	15030	13134	11889	13109	11431	1006	4627	6273	8281	20007	6455	9795	17757	5951	8914	6840	7498	8730	10839	19524	8032	11152	16710	11560	11910	14588	19058	15063	521	8236	8990	10319	10498	5796	10877	0	7816	8052	18281	11896	7231	25705	14743	11330	19205	6253	8077	1044	10145	12325	7950	9068	10014	14702	12806	7123	6246	12884	4335	0	13787	8308	Phytochemical	0.0625	0.875	0.0
20	C13 H18 O1 S1	223.11511	223.11533	-0.044339485	223.1151	1661	3957	3782	0	1631	1333	0	0	43719	0	2935	0	0	0	0	0	0	0	0	2275	4232	3566	0	0	0	1879	0	3351	0	0	0	0	0	0	2049	0	0	0	0	1960	4898	3130	0	0	0	2105	3407	0	0	0	2084	0	0	0	0	0	0	0	38894	4131	0	59858	0	0	0	0	2043	0	94506	0	0	0	0	0	0	0	0	43612	0	7863	0	0	2413	0	0	0	0	0	0	1689	8423	7738	0	33740	5444	0	0	2252	0	0	0	0	0	1703	1721	0	0	0	0	0	Organosulfur	0.07692308	1.3846154	0.0
2	C9 H18 O6	223.11761	223.1181	-0.3559868	223.11754	0	0	0	0	0	0	0	0	0	0	0	344	0	0	297	0	705	0	506	0	475	0	0	0	0	0	0	0	0	504	0	0	0	0	525	676	0	0	0	0	0	0	377	0	0	426	319	0	0	0	0	0	0	0	760	660	442	0	987	0	0	413	670	0	0	0	382	0	0	0	0	0	0	4114	0	0	1215	437	0	0	0	0	0	0	474	577	397	0	0	0	0	0	0	0	0	0	0	0	1972	0	1230	0	616	898	20222	690	390	0	0	0	Unclassified	0.6666667	2.0	0.0
10	C9 H18 O6	223.11761	223.11783	-0.25070766	223.11755	0	3929	2493	2362	1617	2102	846	0	0	0	3475	0	1596	1791	0	0	0	0	0	0	0	0	0	0	1663	0	0	11429	0	0	0	0	0	0	0	0	0	829	0	1652	0	1390	4573	2714	3198	2506	1638	2904	0	1365	2228	1801	0	3867	1342	695	1925	0	11554	1800	0	7349	1668	0	3872	5204	7663	0	0	0	0	0	0	2150	0	0	5103	1059	0	7335	1241	1697	0	976	932	2500	0	0	920	0	0	1694	0	4254	0	2671	1922	1547	1811	0	1820	0	1030	0	270246	0	1497	3243	0	0	Unclassified	0.6666667	2.0	0.0
12	C9 H18 O6	223.11761	223.11792	-0.20541596	223.11757	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1399	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3120	1945	2313	1451	0	2484	0	0	0	0	0	2679	0	0	1085	0	0	0	0	1899	0	0	1148	0	0	0	0	0	0	0	0	1405	0	0	3392	0	0	0	0	0	0	0	0	866	0	0	0	0	0	0	0	0	0	2443	0	0	0	0	1143	0	0	0	108242	0	0	1963	0	0	Unclassified	0.6666667	2.0	0.0
8	C9 H18 O6	223.11761	223.11789	-0.22029771	223.11757	119948	126613	99296	120343	6996	5871	3344	1828	2798	36122	249986	3363	24066	10422	2402	2081	2836	4547	1907	4287	308890	3572	2302	2473	3264	3841	3098	35960	1822	4600	2801	2557	2725	2384	9947	2288	2788	3072	3172	331059	247729	5119	19172	6321	6293	217361	372068	7412	2500	3100	116428	107555	6517	10931	3290	3760	10689	2499	516640	205333	0	432769	39948	3735	19133	84523	87677	3834	6053	5305	5075	4684	2397	5189	1204	2200	8405	2987	3774	51129	2752	6131	3505	3506	3783	7509	2033	7904	4726	1456	0	59278	1576	90258	28425	6570	117341	132499	5404	4390	14254	2794	2514	19323	7852780	4300	3818	6972	2668	3257	Unclassified	0.6666667	2.0	0.0
6	C9 H18 O6	223.11761	223.11792	-0.19989395	223.11757	501663	470714	415569	523891	64775	47199	93026	36481	76206	382948	521505	7151	117420	216907	30443	29421	5028	44063	30183	151383	164203	200920	19627	96554	87499	52656	70884	5566966	49411	44058	33495	28345	34765	22111	0	33134	26413	42178	6669	286844	26647	57666	369664	10751	27753	453278	68534	65097	30266	33739	494943	381787	40593	56907	88269	34631	138598	61683	1735652	24140	349774	1879497	176642	43931	268744	277206	257277	5876	283326	312172	296124	44654	29555	42488	2726	22255	26898	12963	37156	4794451	46129	229397	94404	60123	92824	200233	36032	88803	32871	8831	307723	408027	57413	1982851	594587	23770	512613	494921	107127	48653	97232	32929	15057	312725	18221436	32772	102855	79881	51808	72692	Unclassified	0.6666667	2.0	0.0
14	C9 H18 O6	223.11761	223.11781	-0.2548991	223.11755	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2097	2295	0	0	2595	0	0	0	0	0	2026	0	0	1520	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3613	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2377	0	0	0	0	0	0	0	0	20910	0	0	2405	0	0	Unclassified	0.6666667	2.0	0.0
8	C10 H14 O2 N4	223.11896	223.11923	-0.27900597	223.1189	1435	0	0	0	0	0	0	1028	0	0	2330	0	0	0	0	0	1510	0	0	0	0	1536	704	1193	875	0	0	0	0	0	0	0	1133	1003	0	0	1270	0	0	0	1356	0	0	0	0	0	0	0	1517	0	0	0	0	0	0	0	0	1313	1280	2401	0	0	0	0	0	0	1042	2442	0	0	0	1124	0	0	983	0	0	806	919	0	0	0	0	0	0	0	1267	817	0	4213	0	0	2178	0	0	0	0	0	0	0	0	0	818	0	58306	993	0	0	832	0	Peptide	0.2	1.4	0.4
6	C10 H14 O2 N4	223.11896	223.11917	-0.3825887	223.11887	0	2462	1748	1891	1513	1060	2472	3288	675	0	0	1716	1093	0	1896	6679	3265	1755	1354	0	1082	2577	1950	8460	4510	0	2828	39413	3412	1834	2053	1436	1888	2524	0	2548	3290	2483	4532	0	0	1419	0	0	0	6303	0	0	3906	3439	2413	0	1828	0	1250	0	800	6274	0	1532	4017	1436	3624	0	0	1002	0	6023	0	2944	0	4250	2600	1694	1894	1736	0	1728	1929	0	2204	0	0	0	892	0	2070	1444	1679	7862	7718	1452	5813	17274	0	0	3331	7708	1545	0	2366	3387	1945	3961	0	4646	2199	0	3394	1365	Peptide	0.2	1.4	0.4
24	C10 H19 N2 S1 Na1	223.12395	223.12395	-0.24253233	223.12389	0	972	0	984	0	0	30645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10943	26728	1177	1937	0	0	0	0	0	0	0	0	0	0	0	0	1583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1230	0	0	0	0	0	0	0	3215	4377	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.9	0.2
2	C8 H18 O5 N2	223.12885	223.12961	0.48535806	223.12895	0	1233	0	0	0	51663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9409	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	588	1402	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.625	2.25	0.25
16	C12 H18 O2 N2	223.1441	223.1443	-0.18422341	223.14406	5660	4856	9079	5920	56854	37555	8504	4707	2459	0	1625	6561	2782	17426	4781	6195	17547	1956	3212	0	0	3178	4188	4741	5985	0	5959	2494	3571	3807	2843	4213	5991	4383	2095	3154	3793	4873	20482	2555	3659	112592	362	0	0	1892	1604	0	6862	5330	8238	7213	70487	353	5347	0	127690	8033	0	2765	0	0	0	0	10009	27893	120436	19912	0	1985	1751	3979	4337	3993	7512	3685	310	3626	8234	4635	3252	1055	1450	1780	0	6656	4526	4910	8591	0	9206	5250	0	1682	1824	0	6673	5286	0	1482	2375	6786	4997	4174	0	0	21245	0	7678	2759	Peptide	0.16666667	1.5	0.16666667
26	C15 H19 Na1	223.14572	223.14594	0.026399536	223.14572	25025	23955	21424	26070	12718	7769	4418	9821	9810	4861	3110	8487	0	4780	9278	11472	82281	20396	0	0	66519	87152	0	0	0	0	6779	3743	0	6533	10484	8046	86225	8983	38876	8237	148551	7165	98569	3433	249447	0	0	0	0	13445	88457	0	9737	10581	23555	21015	14042	0	13318	0	3433	11154	6856	127749	6303	6711	9400	4475	0	31409	0	180500	0	0	119214	12990	13280	8307	9814	18225	0	7786	3627	0	6207	3592	6449	0	0	0	4089	56636	5867	69523	8249	66692	123712	4305	13596	0	23793	24589	2672	0	0	92146	9236	8014	0	112589	0	0	4402	7428	Phytochemical	0.0	1.2666667	0.0
26	C17 H18	223.14813	223.14835	-0.089653485	223.1481	8619	8202	6864	6696	7557	5196	6095	13515	5477	4074	5422	7746	5807	4535	11021	11194	9746	0	8163	8817	5463	10234	5762	12395	11228	7108	5523	9152	8349	10929	10276	9574	13134	7524	6754	13740	9623	10197	11612	7771	6845	22005	0	0	0	5134	0	0	12793	8806	8002	9589	6672	0	4934	0	6990	12603	5777	3348	13717	3783	3217	4264	2864	4936	8288	12581	5771	6660	5144	7565	8545	9624	8818	12595	0	8616	17163	8770	6697	6903	7692	5138	7135	0	21341	6538	8182	23172	8206	7253	20436	10409	5823	0	7853	9061	6432	8583	9004	15311	7151	10702	0	12804	4313	0	12145	2392	Phytochemical	0.0	1.0588236	0.0
22	C17 H18	223.14813	223.14835	-0.121601924	223.1481	15936	21635	11517	14948	9491	9384	10781	21741	11006	7119	8407	16222	5981	10214	15495	23628	24422	7172	12263	11353	12945	14836	14816	15727	15802	11046	16178	7603	15886	22422	16833	21018	19619	15587	8413	25500	20161	13807	30050	9279	12064	26702	0	0	0	10766	6773	0	22236	18783	13432	11744	10144	0	9338	13267	10145	22457	7301	14670	19636	4714	7857	7804	6300	10694	11671	35808	5592	14603	12853	13379	11856	19425	20258	23794	0	14050	21407	10119	18320	6492	9939	7433	14115	11219	27566	11883	11286	45106	16606	9355	27607	8402	13725	0	10461	14793	15520	18253	12997	25099	17969	14913	8462	17108	13483	0	21345	7886	Phytochemical	0.0	1.0588236	0.0
20	C17 H18	223.14813	223.14835	-0.14370811	223.1481	10048	13427	9518	8231	6534	3595	11066	13762	5677	2619	5883	8925	4614	8067	11979	19037	22079	4118	10790	7472	6521	9282	8081	16544	13339	5497	11734	5196	10036	15007	9145	14847	12429	10978	4202	10489	10402	11461	17948	6112	5138	7590	642	0	0	7313	7875	0	14049	12606	9271	13984	6156	299	8081	6678	6884	17172	4998	10634	14906	3975	7180	4147	3928	6880	6394	22349	6192	5373	7336	10046	10021	14260	18546	14710	0	6572	14293	8732	12149	4761	9134	0	9250	8095	20334	10587	7277	35577	12540	9362	17897	4961	7075	0	9200	9635	11032	12943	12717	14607	11453	11059	2911	14986	9216	0	16182	3952	Phytochemical	0.0	1.0588236	0.0
18	C17 H18	223.14813	223.14836	-0.15805759	223.14809	5829	6551	9271	5129	5023	3468	11055	10202	1518	0	2781	5576	4937	2934	6090	11798	14061	2823	3368	4701	2425	7173	6332	9766	4983	5978	6759	4114	6379	9125	8205	11920	5803	0	0	7457	6690	5805	19302	5005	4596	3842	0	0	0	3666	3868	0	8622	9042	6010	6399	3951	0	3627	3384	4532	11342	5171	8448	7560	1759	5327	2099	3540	3270	7638	14818	2967	3673	6098	6317	6327	8227	13021	11094	0	3505	9989	6628	8460	5355	3527	3281	5083	3659	14419	5181	4446	22214	3796	4538	9479	4812	3760	0	4299	6796	7030	6228	8063	8991	6455	7249	1778	6830	3104	0	11213	1794	Phytochemical	0.0	1.0588236	0.0
6	C10 H22 O5	223.154	223.1543	-0.26319587	223.15395	1322	1766	1464	1542	1679	1120	9843	1006	2620	0	1995	1480	2073	1244	2815	0	1122	1547	757	1283	1180	831	2005	1084	1712	3297	2433	0	938	1955	1419	1669	0	1328	0	1239	1171	2042	936	0	1968	1997	4912	5709	5268	1716	2085	7523	0	2386	1870	1354	1822	6759	1699	3584	2907	0	3452	1956	0	2089	826	1722	3683	1090	2012	1165	3095	2232	0	1015	1268	1373	0	1676	6438	2324	1874	0	1539	4215	2255	164000	2901	2564	1677	1741	1939	0	0	0	0	1211	0	6190	1507	1301	3272	2490	1812	1233	1706	0	0	1763	3212	6683	1961	1606	Lipid	0.5	2.2	0.0
12	C14 H22 O2	223.16925	223.16951	-0.12574318	223.16924	8458	8605	7957	9272	11459	9963	8199	10897	4400	5096	3336	3943	13212	11286	5163	21006	6116	6047	7279	3949	4838	4840	3246	11872	6144	2650	12905	0	11047	10896	9581	10416	6937	21319	5449	9475	7552	5128	6914	7238	0	12699	2536	2524	2913	11755	3543	3140	10714	7437	10406	7812	8275	5833	5021	6089	5225	14908	0	0	20192	3300	12540	3782	5260	12315	10247	6079	0	3048	3502	33963	23450	7632	7593	11332	2041	3609	6284	0	3936	3512	9790	12119	6743	6127	4464	14160	8753	9083	8048	6837	9516	0	8729	4065	9211	6075	6100	9743	12772	12003	2027	6087	0	4932	6909	2204	5796	9389	Lipid	0.14285715	1.5714285	0.0
14	C14 H22 O2	223.16925	223.16948	-0.17721821	223.16922	10630	13306	14748	13276	10571	8393	53930	7604	5394	4217	7706	7341	10783	27072	5422	12224	18647	6957	9038	3843	2125	8112	5727	7039	7333	24324	52947	8368	9044	8780	9520	12160	12545	10437	3883	8189	9689	8553	17488	4426	6425	6195	3365	2560	2417	9353	6477	4069	12112	6303	12613	12226	9841	2879	5783	14959	11246	19594	0	10207	0	1560	14642	2450	16586	8744	15348	18033	0	4255	7524	4602	7783	11137	12199	12274	2286	6134	10057	0	6025	9780	69704	134018	15150	9833	18732	7309	9365	36640	16520	9374	11624	3083	6426	3524	12300	11157	9729	23867	23579	9551	5596	4511	0	12802	14665	2616	11596	5635	Lipid	0.14285715	1.5714285	0.0
4	C14 H22 O2	223.16925	223.16957	-0.19189376	223.16922	3253	3320	2886	3604	2400	73496	1527	1530	2069	1789	0	2428	1878	2700	2777	1331	1766	5909	18757	2029	1466	3161	1731	798	1984	1658	2756	0	2409	1350	2833	2900	2307	4552	2278	1702	2019	2307	800	2092	1490	19962	2160	1946	2634	2840	2523	3980	4910	1543	3788	3135	5347	2547	1165	2439	2174	1584	1702	1269	2160	2118	2027	1416	1606	2696	23951	2445	2645	1545	2405	2088	3638	1263	0	2649	1845	3260	1818	0	1844	3424	2843	1658	1397	1750	2207	71226	19284	2667	5336	3030	1338	1881	1854	3351	3928	4212	2423	3714	2547	2496	4117	1979	0	1379	1528	2271	2673	1558	Lipid	0.14285715	1.5714285	0.0
22	C15 H26 O1	223.20564	223.20584	-0.10877318	223.20561	4416	3305	5480	4370	1252	3418	81009	4592	2034	3295	6509	0	0	31009	0	3185	5224	0	0	0	0	3331	0	0	0	6610	80257	57115	2773	3544	0	4415	4566	2598	0	7421	1772	1990	8465	0	8549	3841	5505	0	1904	5052	5831	0	2255	4036	6340	5098	1581	3978	0	0	4355	3528	1225	7562	4420	0	12860	2337	26024	2685	8890	10475	1704	3899	4506	1304	6311	4769	2232	4138	2443	2021	1484	28290	0	4857	27989	186866	0	4497	2772	4498	1294	7300	10631	4976	2696	3274	3615	0	5330	5536	4664	0	3065	2837	1761	2626	1431	3161	3774	0	1723	5626	Lipid	0.06666667	1.7333333	0.0
24	C15 H26 O1	223.20564	223.20584	-0.14211208	223.20561	23142	25684	24287	21974	8029	12749	343731	12315	5234	13282	23843	8367	6612	135115	12671	14378	27852	2801	9772	13940	8804	6585	4153	9200	6724	46680	333084	57431	9657	13677	9499	11127	12072	6595	5174	12791	10960	15604	30813	4165	41541	35626	25070	6577	12618	16892	45135	6948	10939	15510	20048	22754	9431	16997	2994	17093	20284	13713	10202	44805	21969	11476	27371	7912	117793	12338	33553	41012	18698	13075	27591	4228	5871	12005	12520	15695	20678	7223	7168	70167	7377	33881	84047	307520	7167	13286	18022	11491	12264	29375	47020	30019	20623	14062	10211	9127	22647	27657	25842	6469	8474	13603	7158	18345	20745	11216	12203	7183	16146	7208	Lipid	0.06666667	1.7333333	0.0
20	C15 H26 O1	223.20564	223.2058	0.040115338	223.20566	0	0	1621	0	0	0	25716	0	0	0	0	0	0	30131	0	0	0	0	0	0	0	0	0	0	0	2374	26027	1782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1855	666	566	0	0	939	0	0	0	1657	0	1246	0	2113	0	0	0	1714	3135	0	7237	0	14841	0	0	0	1821	0	0	0	0	0	0	0	875	0	0	2567	0	0	13186	28724	0	0	0	2881	0	0	0	0	0	0	0	0	1769	0	0	0	0	0	0	1866	0	0	0	0	0	1618	Lipid	0.06666667	1.7333333	0.0
8	C9 H5 O4 N1 S1	224.0012	224.00151	-0.082262665	224.00119	1376	1639	0	0	3358	1473	0	0	2126	0	0	0	2340	1660	0	3656	1426	4052	3799	0	0	6717	0	2540	0	0	0	0	0	0	0	0	2292	0	0	0	0	683	2612	0	0	1430	0	0	0	0	0	0	0	0	0	0	2454	0	1488	0	530	2890	0	0	3768	0	2879	2296	0	2517	926	0	0	0	0	0	0	0	0	0	0	0	1650	0	929	0	0	0	778	0	2189	2252	1903	18026	0	0	21794	0	0	0	1760	0	0	847	0	1234	0	0	0	6734	0	0	647	5877	Organosulfur	0.44444445	0.5555556	0.11111111
14	C10 H9 O3 N1 S1	224.0376	224.03786	-0.07709471	224.03757	6761	5720	5972	4141	13181	5426	6730	5377	3445	0	2646	3824	5168	5621	3310	11507	6609	9347	6292	0	1425	8642	3089	5730	5093	0	3517	0	0	1537	8662	0	7574	4251	1933	2148	9209	2608	8508	2356	3468	4831	0	0	0	2909	0	0	10246	1697	7534	5932	8446	334	2235	1538	2968	14370	0	0	0	2099	5329	1704	0	10898	5019	9499	0	0	1451	3439	2811	0	3948	3727	0	3325	6859	0	4490	1696	2879	2538	3998	0	8555	10543	5501	22635	11726	7283	13294	2691	2974	0	4426	3190	2192	3693	2931	4528	3384	3208	0	9215	2306	0	8908	7305	Organosulfur	0.3	0.9	0.1
6	C10 H9 O5 N1	224.05534	224.05566	-0.080892734	224.05533	29185	35686	23928	29625	61228	33279	12331	26234	55610	5578	8123	21393	77983	25560	15811	35930	34054	93002	77635	6997	10405	23130	21145	28862	10562	1751	17217	2953	24158	24305	30558	32107	48879	35455	11167	26077	43303	18969	42369	4348	5310	36260	2157	1183	1818	7916	4768	1507	31632	22818	29381	36090	51566	2426	53977	36465	27709	36391	5990	7931	35350	2593	101197	53968	21012	66913	39501	50136	2776	4448	4047	33340	29730	21175	24121	29688	1471	15722	20606	0	16528	4552	5055	1498	39670	25680	23734	57640	55747	49162	8640	6350	47126	4526	3946	2054	24458	26148	29317	43380	44123	40557	24661	8546	0	38747	35886	1559	12248	135797	Phytochemical	0.5	0.9	0.1
8	C10 H9 O5 N1	224.05534	224.05565	-0.088634565	224.05533	50340	53489	33405	44934	79695	52347	23301	41130	67251	11161	13455	38459	115702	32607	31914	63196	61748	88318	107009	11218	12743	41439	44625	51371	19282	2025	29203	8072	39464	36216	38587	42982	71824	44696	18286	34150	73274	31751	66122	7601	9216	57926	2371	1679	2828	15791	7601	10810	43577	37364	41600	45700	70003	2684	71919	46772	39662	62307	8483	11071	58287	3531	114289	86472	32008	107564	53655	75556	3848	5534	4038	45108	39341	28116	40664	42648	1713	32108	45176	8708	33708	8520	8722	3319	61281	31560	47335	79536	84840	107382	10745	13856	85461	8334	9283	3283	42675	47680	43068	65121	54992	64137	36382	12450	0	61915	53701	18701	27165	165149	Phytochemical	0.5	0.9	0.1
12	C10 H9 O5 N1	224.05534	224.05562	-0.09618982	224.05533	33071	47044	49050	44770	48419	57370	29168	36272	54395	12056	10920	29638	63414	41989	29789	59506	52462	100749	104844	5580	6951	38083	41400	46723	23674	0	32504	10814	38277	36241	41218	41823	81544	39131	11108	34056	70445	29027	71722	4439	5244	59578	2101	2717	3255	9868	4973	2605	43322	31851	42923	41123	64015	2493	58842	24730	30940	61545	0	0	58511	1788	99517	49521	25733	81236	58441	70381	0	5721	3368	39547	36270	22647	46180	32072	1541	31712	36135	0	32366	6821	6703	2042	37846	33615	50278	67928	70049	81617	17444	20019	68505	7978	6664	3732	43248	48059	35212	31504	33437	73984	31585	6192	0	61112	30417	2246	26049	125627	Phytochemical	0.5	0.9	0.1
10	C10 H9 O5 N1	224.05534	224.05562	-0.09725534	224.05533	59861	49753	48312	50594	103824	76820	32169	55329	88834	12872	18945	51499	124051	52762	39703	82765	70602	163059	157524	11577	13854	56714	61419	71162	34124	1227	43472	13171	47385	40741	46701	51000	97295	46330	15729	37847	94898	44411	88495	5985	6298	72488	2870	2320	2986	14476	4742	3288	57232	43774	58428	55032	92594	2892	91332	47643	40546	81362	8153	8968	83594	3208	124005	97037	39630	121858	70735	90671	0	7222	5095	45880	40888	31027	53488	40303	2272	45237	60109	21468	48789	7816	4230	1533	76371	44548	69398	94295	98645	104917	15067	20252	126933	13681	12014	3373	58858	53707	49597	62426	57876	82538	47019	11501	0	91063	51350	2099	41504	210590	Phytochemical	0.5	0.9	0.1
16	C10 H9 O5 N1	224.05534	224.05556	-0.0873704	224.05533	8222	4872	5528	8514	14744	13496	6850	6947	10931	0	0	9836	18274	12614	8328	9640	18658	23669	17700	1829	0	7241	11419	12833	8490	0	8029	5374	10077	7954	12926	8284	18493	11066	4301	8923	13562	9941	17641	1270	0	13406	1960	2289	2881	2235	0	2901	11748	6552	10076	8180	19325	2614	9403	8860	10128	11891	3079	1877	10088	0	19679	10873	10083	19466	14631	17082	0	0	0	9787	8067	7198	9752	7225	2083	9346	16574	4852	13718	2797	1595	0	13035	10916	24782	16881	16841	24119	4600	6194	0	3602	2144	3099	12616	7938	9827	6789	10304	16995	11371	0	0	15151	7828	2737	12597	22376	Phytochemical	0.5	0.9	0.1
14	C10 H9 O5 N1	224.05534	224.0556	-0.10455425	224.05533	30629	27442	23278	27403	42393	45562	18169	26632	30892	5236	4728	27036	38960	29987	25243	32315	41873	70384	62121	2824	0	18928	32355	24927	15512	0	15542	0	23302	19103	30607	22956	42756	25548	5697	18767	50674	22641	40680	2622	0	34608	0	2168	2335	6893	0	2891	30498	16959	26638	22017	44474	2136	34656	18979	26238	39360	0	0	26041	1511	48719	39932	23118	58501	32079	38564	0	0	1773	26981	26040	15823	29156	21330	1664	22616	27220	0	26951	2845	3815	1502	24948	20933	39990	62594	53847	92059	14937	19206	68630	4061	4388	2987	32093	23084	22645	22085	20768	38758	24015	4980	0	53721	19763	2389	21811	66783	Phytochemical	0.5	0.9	0.1
4	C10 H9 O5 N1	224.05534	224.05571	-0.09873009	224.05533	7968	9235	8250	8186	15819	11284	2910	8841	16209	1959	3102	5418	23186	7512	4743	7919	7559	25049	21121	4430	5281	7389	7115	8585	4297	1922	2946	0	9583	7146	7674	6378	12138	6791	5592	7151	8879	4096	8063	2619	3143	13565	1621	1582	2748	5177	2579	2121	9286	5908	7336	7200	13593	2274	14498	13688	8301	10030	2483	2881	11613	1401	28343	16545	6932	20870	9433	8606	2375	2127	1897	6896	5469	5261	2481	7501	1351	4053	5890	0	5877	4088	2868	1688	13485	8929	5667	13624	20241	7816	2292	3231	10384	2057	2240	4589	9306	8144	11041	16256	16160	9038	7566	4518	3432	10391	10948	1676	3359	37210	Phytochemical	0.5	0.9	0.1
12	C9 H9 O4 N3	224.06659	224.06688	0.015831245	224.06659	2028	2581	2691	1703	0	0	0	0	1570	0	2175	1193	0	0	1528	5037	2464	0	1428	0	0	0	2380	0	0	0	2952	0	0	0	0	0	1761	0	0	0	0	2105	4635	0	0	0	0	0	301	0	0	0	0	2093	3051	1733	1057	451	0	0	0	2651	0	0	0	0	0	1239	1251	0	0	5360	0	0	0	0	0	0	7088	1263	0	1061	4458	0	3977	0	0	0	1546	768	5908	1958	0	21095	0	0	14918	0	0	0	3545	4215	0	0	0	0	1452	0	0	1727	0	0	2695	0	Peptide	0.44444445	1.0	0.33333334
6	C14 H9 O2 N1	224.0706	224.07088	-0.07108184	224.07059	1375	2722	2397	1489	27106	10838	1077	0	9799	0	0	0	7975	61224	0	0	1060	4024	8413	0	0	0	0	0	873	0	1138	0	857	0	819	712	0	866	0	0	814	647	1624	0	0	37816	0	0	0	0	0	0	0	0	2490	1956	30093	0	6074	5769	23631	0	0	0	0	0	1110	8519	20677	24227	43954	3228	0	0	0	0	0	0	3087	584	0	0	0	0	0	0	0	0	4185	7383	0	7493	8308	0	0	0	0	0	0	0	2993	2187	2219	1602	2964	0	640	0	0	0	10947	0	0	5456	Phytochemical	0.14285715	0.64285713	0.071428575
6	C8 H9 O3 N5	224.07782	224.07812	-0.09582878	224.07779	6817	10327	12228	9236	1842	1693	13255	24209	1311	0	1933	30991	3203	3856	21923	14404	41950	4675	1811	799	1154	6544	17649	45474	10652	0	10019	0	8707	16963	33355	5398	80881	7125	0	4147	67804	18089	54583	0	0	3752	0	0	0	27800	0	0	22783	22028	10602	9892	4137	0	0	1163	28323	8462	0	0	15262	0	709	904	3888	4244	13560	51685	0	0	0	26627	2467	2275	2925	2492	0	24230	5032	0	23439	0	0	0	0	3606	1668	10067	3574	11964	0	0	21271	0	0	0	9158	10925	2034	1075	1478	74146	28611	0	0	90746	2836	0	11904	2713	Peptide	0.375	1.125	0.625
0	C8 H9 O3 N5	224.07782	224.07817	-0.25782207	224.07776	0	0	0	0	0	0	0	4586	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2293	0	0	0	0	15199	5902	2377	7378	1565	3795	0	8775	0	0	0	0	0	2671	0	0	0	0	0	0	9628	0	1515	0	0	0	0	0	0	5494	0	0	1603	0	0	0	0	0	1961	0	0	0	0	1764	21267	8539	0	9800	0	0	0	1925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.125	0.625
6	C9 H14 O4 N1 Na1	224.08932	224.08961	0.17113352	224.08937	0	0	793	0	1002	641	694	0	0	0	0	0	0	741	0	1596	0	0	0	0	0	0	0	0	0	0	749	0	0	0	0	0	0	897	0	0	0	0	0	0	0	588	0	0	0	0	0	0	0	0	686	928	1190	0	750	0	0	0	0	891	0	0	1295	0	924	0	1516	0	0	0	0	0	0	867	50877	569	0	0	0	0	0	477	0	0	0	0	0	0	742	0	0	0	0	586	0	0	0	0	0	0	0	0	557	0	0	826	660	0	0	0	Lipid	0.44444445	1.5555556	0.11111111
2	C10 H13 O3 N3	224.10297	224.10332	-0.17756067	224.10292	80150	86792	69550	65257	32913	22837	29700	88733	35589	20982	25154	67948	33211	10634	50587	43495	101837	48579	55622	20744	32137	282059	62992	100468	54682	4475	37984	14036	64292	60824	77408	61735	80139	55228	37805	55772	65754	65280	131184	22483	29541	32977	448	0	0	28610	22317	0	72828	95000	80722	87072	41107	0	34681	15757	27803	120128	11464	26448	56231	13262	40282	28681	27897	47981	44140	152595	8876	15807	20686	97855	67325	44110	29799	55873	0	59980	44200	18539	60781	16560	11318	10187	26073	26721	35656	74183	55927	588926	20460	39210	558731	19055	7882	634	76465	67882	25413	19648	18802	57721	62964	24391	15450	319738	25877	0	65075	56636	Peptide	0.3	1.3	0.3
8	C10 H13 O3 N3	224.10297	224.10326	-0.1867578	224.10292	9204	9468	8429	10637	5066	5484	8870	14694	4326	2868	3224	10619	5286	2428	8862	18676	16348	8704	7736	2579	2912	17021	8503	18566	12108	1308	9805	3755	11427	8151	11912	11494	13394	12323	6378	9005	13088	12180	20128	2067	5820	6744	0	0	320	5748	3724	313	10989	9270	8432	8951	5558	367	4414	2147	4497	13674	4336	7290	15786	2218	4738	4566	5197	6192	6885	19924	0	0	1992	12722	10650	7140	11299	11592	0	6993	11477	5449	9101	3670	6869	1848	3282	5755	12976	10750	8892	36586	0	13577	30745	4157	3390	0	11893	9947	2998	4277	2807	13811	7446	6354	0	15867	3539	0	13459	6296	Peptide	0.3	1.3	0.3
0	C8 H17 O6 N1	224.11287	224.11322	-0.24318813	224.11281	0	0	0	0	1492	0	0	6183	1387	0	0	1640	7440	3909	1750	0	0	6408	2711	0	2697	1913	2151	0	5676	0	0	0	8103	0	6175	2886	32433	3360	0	2569	3689	0	702	0	0	3288	0	0	0	0	0	0	2660	0	0	0	3828	377	2035	948	0	2148	429	0	0	0	6100	0	0	4615	5115	0	0	0	0	3688	3037	3098	0	0	0	2374	0	0	0	728	0	0	1680	0	907	2794	3836	0	0	0	1892	0	0	723	0	0	586	0	0	0	0	0	0	6450	1615	0	1161	11619	A-Sugar	0.75	2.125	0.125
8	C8 H17 O6 N1	224.11287	224.11317	-0.20516698	224.11282	1859	2609	1435	1885	2039	1173	757	0	1579	3563	13798	0	2384	1834	1309	0	0	0	0	0	0	0	777	0	1493	0	0	57269	0	0	0	0	0	0	2373	0	0	767	0	0	0	1510	1257	872	1565	0	0	2493	0	0	2352	1569	788	1912	2896	1044	11252	0	34661	0	0	15051	5076	0	38136	9356	11917	0	0	0	0	0	0	0	0	0	1361	0	988	30732	0	5233	0	0	2549	9593	0	0	0	0	0	6757	0	26220	1522	1154	1696	3179	2893	654	26071	0	0	0	75356	0	0	2665	0	0	A-Sugar	0.75	2.125	0.125
4	C9 H13 O2 N5	224.1142	224.11449	-0.22793649	224.11415	14039	12285	12288	12849	1039	0	880	4925	0	0	0	3095	0	0	1555	3381	8706	288	309	0	0	917	3863	4774	1161	0	1850	5702	6627	24969	11427	7699	23113	3420	0	16025	12924	3558	17018	0	0	602	0	0	0	0	0	0	8436	5816	12844	12513	624	0	0	0	568	160858	0	0	4221	0	368	0	0	0	633	92624	0	0	0	3807	41660	1552131	58961	43981	0	3116	4393	0	13331	0	0	0	0	0	15393	2059	500	3725	0	0	1292	0	0	0	12590	10591	0	0	0	8872	3149	0	0	3743	453	0	6030	0	Peptide	0.22222222	1.4444444	0.5555556
2	C9 H13 O2 N5	224.1142	224.11456	-0.15743224	224.11417	4193	5975	6450	3363	529	0	1526	16074	0	0	1732	2465	661	541	11270	34920	57678	1351	985	0	0	1307	8570	44018	16132	0	0	46189	8537	18099	41582	9850	28834	17641	0	11466	36961	8313	45535	372	392	0	0	0	0	1232	587	0	35811	16941	6006	3279	687	0	0	1113	856	297320	410	642	25887	0	679	529	0	734	1110	62254	0	866	433	11804	6434	7793	38333	2442	0	3428	7245	0	4425	0	0	306	608	767	12874	3229	877	14937	1566	0	6382	0	469	0	9429	11773	0	725	1011	21392	2232	405	571	26627	702	0	9635	0	Peptide	0.22222222	1.4444444	0.5555556
6	C9 H13 O2 N5	224.1142	224.11446	-0.13709307	224.11417	7449	7954	4520	8743	0	0	0	780	0	0	0	0	0	0	711	0	0	0	0	0	0	0	550	0	537	0	624	0	790	3537	1486	1697	1046	0	0	1433	0	666	0	0	0	0	0	0	0	1441	0	0	0	1221	5282	9706	0	0	0	0	541	4152	0	865	0	0	0	0	0	759	0	1775	0	0	0	653	8264	236032	14848	16716	0	688	0	0	0	332	436	0	0	0	724	0	0	0	0	0	0	0	0	0	4462	3642	0	0	0	808	1411	0	0	0	0	0	0	0	Peptide	0.22222222	1.4444444	0.5555556
8	C9 H13 O2 N5	224.1142	224.11455	-0.22317138	224.11415	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	954	0	0	0	0	0	944	0	0	606	0	0	0	0	0	0	0	0	0	981	0	1127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1618	0	0	0	0	1773	749	0	0	0	0	0	0	0	0	0	25213	843	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1482	Peptide	0.22222222	1.4444444	0.5555556
12	C11 H17 O2 N3	224.13936	224.13962	-0.1661897	224.13931	2858	1495	3463	0	0	1295	0	0	945	0	0	0	1362	0	0	1569	3785	2195	4010	0	0	0	0	0	1435	0	0	0	0	1606	1165	1485	2227	1290	0	0	0	0	3257	0	0	999	1444	0	0	0	0	0	1684	2321	0	2070	109465	0	0	918	1425	0	0	0	0	0	3107	0	17925	3867	1986	0	0	0	0	0	0	0	1846	0	0	0	1595	0	868	1361	0	1099	4064	14096	0	1287	1331	4560	0	0	2845	0	1372	0	1605	0	0	1703	1073	2188	0	0	0	5395	6513	0	0	2088	Peptide	0.18181819	1.5454545	0.27272728
8	C10 H17 O1 N5	224.15059	224.15088	-0.13394237	224.15056	0	0	840	0	0	1812	1556	0	0	0	0	0	0	0	0	0	4531	3247	5522	0	1028	0	0	0	0	0	2710	0	1466	772	0	2138	1706	2571	0	1274	2200	0	3002	0	0	3355	0	0	0	0	0	0	2704	0	1414	0	2738	0	1352	0	1819	1338	0	0	0	0	0	1957	2852	1322	5640	5268	0	0	0	0	0	0	1982	0	0	782	0	0	0	0	0	0	0	0	0	14757	23473	0	0	0	0	0	0	0	1760	0	0	0	0	2303	0	1643	0	1080	0	0	711	0	Unclassified	0.1	1.7	0.5
0	C11 H22 O2 N1 Na1	224.1621	224.16252	0.307938	224.16217	53809	51127	50882	41333	7276	0	2087	43657	0	136222	0	0	0	30707	0	20305	0	2231	8123	86196	34569	11767	8893	0	0	0	9925	11491	1926	12893	11795	12806	2120	7391	13150	27636	52488	1609	0	36080	0	18093	0	0	0	33432	0	0	16328	0	0	42334	13982	0	0	0	3711	32764	412	3624	588771	0	0	0	55579	4749	11702	0	4050	52217	0	13766	11644	42913	0	28746	0	8383	0	6842	0	3532	0	0	0	0	0	26548	0	0	51019	8484	32626	2026	43278	0	45377	33341	1018	0	0	0	15177	0	2472	16008	0	0	0	17650	Lipid	0.18181819	2.0	0.09090909
22	C13 H21 O2 N1	224.1645	224.16472	-0.053057045	224.16449	37629	44004	39952	45483	19162	36456	8158	155494	1085	9215	0	56872	0	83658	3358	368208	10280	45761	24988	3813	7064	7245	20231	134308	3497	0	4977	2078	234766	252182	170562	255757	236177	221891	6165	279865	236574	2092	12573	1923	1406	56796	0	0	1248	13897	2239	0	244872	179973	43261	49883	85038	2023	0	0	2777	216904	0	2829	237672	0	9960	5785	2656	31161	82811	9727	0	3693	0	181528	133103	222281	70543	245731	862	47151	0	2017	1157	1183	0	0	1903	1716	3976	105380	45084	5280	6508	0	19174	0	0	0	46337	45738	2147	0	0	240466	28871	5087	1241	226071	1670	0	3830	6507	Lipid	0.15384616	1.6153846	0.07692308
18	C13 H21 O2 N1	224.1645	224.16472	-0.18084203	224.16446	60250	68225	53468	57916	9832	23328	111622	120872	6579	33430	33917	66316	4932	52058	55314	124661	365524	16475	16547	32653	38557	28624	37702	59634	49395	33312	111206	33497	127526	178350	131322	130114	119066	114721	23838	153467	104500	51910	366554	23636	43460	50324	1505	612	734	61295	94146	723	124497	107135	60811	67997	39438	1587	5652	5395	14197	126321	7718	29467	91188	16401	5246	7135	19530	14485	40554	419401	34414	32727	53687	87054	92707	212703	302452	178165	1143	69015	24079	32614	30635	50433	13475	24537	7801	24208	37998	27417	32711	85697	32454	30007	36113	26690	34159	1302	68633	49284	10291	5917	7744	140606	67911	18476	28259	103739	6107	979	62188	3647	Lipid	0.15384616	1.6153846	0.07692308
14	C13 H21 O2 N1	224.1645	224.16475	-0.124577425	224.16447	10094	8137	10382	8994	4691	2335	5329	2957	0	16979	8845	3071	0	3752	1907	7641	7765	2875	2461	18679	17062	12488	2783	6250	1675	16035	7160	0	3614	3846	7746	7280	4426	7035	9425	3434	5189	1741	12042	16123	27511	3533	0	625	436	28318	42499	702	9885	3548	9699	10036	2469	700	1709	1921	3451	7731	0	9603	0	8311	0	0	1463	1836	3014	14104	0	16503	28416	3005	5112	4029	8594	5678	461	1537	2900	0	1458	14311	5816	22742	2417	0	9531	2755	2897	10049	21513	15935	6673	16438	22158	802	9661	6573	2741	2102	3820	3804	2581	7813	0	13062	2778	622	5814	2801	Lipid	0.15384616	1.6153846	0.07692308
10	C13 H21 O2 N1	224.1645	224.16476	-0.16219576	224.16447	22011	20012	14117	18234	15740	9659	9840	81372	1510	25250	13049	14949	2510	3214	7773	44142	37720	12567	11832	26888	37548	11421	5253	21605	7531	6287	15203	14956	29047	36794	26096	30028	42563	16337	35512	22427	39898	10276	50088	17699	20537	8460	641	0	311	12954	20218	0	69430	61138	19020	17392	13157	394	3042	2018	2798	38432	0	14476	37985	6631	4221	3919	5464	7352	11175	50548	0	8470	8837	30398	17164	17155	35932	24101	0	14384	8233	4854	7137	5702	923	12699	3183	3562	10068	9447	15270	27531	17514	6846	19314	9425	18180	426	19369	17665	3052	2603	1985	40011	14348	40056	0	22144	4329	0	9838	7403	Lipid	0.15384616	1.6153846	0.07692308
20	C13 H21 O2 N1	224.1645	224.16472	-0.07491507	224.16449	8929	9539	9872	7720	3849	9767	15357	12082	1287	5941	4547	9288	0	5839	6428	23115	24012	3922	3654	7540	5485	3992	2100	6648	10500	5698	16546	6738	16003	21249	13266	24845	23584	20782	4090	17657	23246	5455	21646	3243	8550	9966	2790	848	661	10331	14564	488	23220	17513	7120	9495	4426	3740	0	0	3150	28113	3158	14299	13767	3689	2332	0	4424	7209	6082	31593	5613	5188	10462	13755	18749	28694	33751	28502	836	5374	4315	12053	5610	4156	5836	0	1469	2893	12294	11384	7622	23993	14052	11048	9618	6684	0	1408	8187	10058	1455	1505	3221	14327	8367	5526	7910	10147	2320	758	12613	7264	Lipid	0.15384616	1.6153846	0.07692308
12	C13 H21 O2 N1	224.1645	224.16476	-0.15355283	224.16447	6894	8851	5302	6656	3220	1339	0	3242	1576	11776	5079	2909	0	1899	1745	7599	5988	2418	3439	16023	15703	7943	3715	5951	3114	8485	4851	0	3992	8164	5048	3385	4796	4639	13371	5922	6133	1758	6571	9710	15228	2606	407	403	256	16695	24573	384	5902	3508	5005	7840	3214	662	0	0	839	6443	0	0	0	3102	1178	0	1141	3069	3207	8728	0	6915	13728	5678	6956	4869	6189	4942	426	1773	3694	0	2057	6489	2389	7829	1962	759	9532	2194	2759	15127	13781	5926	7215	5325	15099	567	3851	5802	1442	1331	1053	7775	1181	2588	0	5606	2093	0	4483	2553	Lipid	0.15384616	1.6153846	0.07692308
26	C13 H21 O2 N1	224.1645	224.16472	0.01566791	224.1645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1674	2432	0	0	0	0	0	0	0	0	0	0	0	0	38739	0	2643	0	0	0	0	0	0	0	0	2258	0	0	0	0	0	0	0	1307	0	0	0	0	0	0	3141	0	0	2550	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61030	0	0	0	0	Lipid	0.15384616	1.6153846	0.07692308
16	C13 H21 O2 N1	224.1645	224.16472	-0.13410245	224.16447	16304	14445	12206	13791	4856	14851	10064	9028	2065	33802	16904	6581	0	6876	1274	15429	23913	4530	4396	30852	41156	19720	2679	9534	9565	44198	14703	23407	11208	9883	7252	11850	9594	11460	27710	15934	14014	4991	29171	34003	45446	13307	1107	474	841	43411	88719	846	12199	7372	14292	13237	6680	1015	0	0	3541	20136	6768	24698	12306	14910	2120	0	3938	7125	10202	24310	33290	36921	57304	8365	10020	18033	20531	15078	971	3855	2774	29884	2476	40490	16272	27244	2058	6872	8178	12325	7078	33212	28462	30698	0	28796	39490	585	10746	15457	4151	2115	5917	11222	3195	11519	25775	0	4969	732	6072	1728	Lipid	0.15384616	1.6153846	0.07692308
2	C14 H25 O1 N1	224.2009	224.20123	-0.18235442	224.20085	53211	49050	55805	40329	757	15200	16336	196707	1590	28635	21241	48952	1094	136649	54282	225979	85423	4198	3399	58967	49800	14373	43997	347618	86398	6355	23434	11012	82170	71020	82392	63600	38855	57339	9910	62010	39557	45194	84801	48607	8206	35398	0	0	0	37261	20917	0	134622	131080	48570	34141	19052	0	602	409	9889	157048	0	0	195834	19123	1851	1131	11495	16332	38963	98595	5376	16264	10960	81574	47651	32838	61566	57577	0	56265	55381	94556	53020	2537	6600	38637	354	4546	40944	32296	42326	63894	141492	22419	241731	61971	127857	0	61253	71201	1167	1061	1067	35030	43890	88352	11657	134363	639	0	91601	1418	Lipid	0.071428575	1.7857143	0.071428575
20	C14 H25 O1 N1	224.2009	224.20117	-0.16326396	224.20085	1692	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1506	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1756	0	0	0	0	0	0	0	0	0	0	0	0	845	0	1772	25788	0	0	14423	0	0	0	0	24598	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9464	34431	0	0	0	0	0	0	0	0	0	0	0	0	2493	8660	47657	0	0	0	0	0	36589	0	0	0	Lipid	0.071428575	1.7857143	0.071428575
22	C14 H25 O1 N1	224.2009	224.20116	-0.027640073	224.20088	0	0	2590	0	0	1494	0	0	0	3464	0	0	0	0	0	3156	1826	0	0	0	0	0	0	0	0	0	1140	0	0	4036	0	0	0	0	0	2742	0	0	0	0	2592	1100	0	0	426	6477	14632	0	3205	8760	1558	0	0	4330	0	0	2399	0	0	24412	1526	0	0	0	0	0	0	3825	1459	3791	2565	0	0	0	0	3865	0	0	0	0	0	3776	0	1349	0	2526	0	3117	0	3217	3311	0	4036	0	8101	0	0	0	0	1305	2724	0	0	0	1643	0	1938	0	0	6666	Lipid	0.071428575	1.7857143	0.071428575
6	C14 H25 O1 N1	224.2009	224.2012	-0.16449623	224.20085	16350	16940	10820	15433	4623	1921	2081	8303	4161	19995	6786	4058	2734	2827	2798	60242	4217	5486	11684	17710	17357	4753	3267	4692	3470	16918	8922	6097	4809	6128	9660	9717	12564	6275	24579	4739	6342	3521	5110	9420	1078	2495	0	0	0	4929	9083	0	10290	6459	11877	18186	4404	0	3416	1357	1943	41214	0	0	40403	4993	6120	2380	1432	5751	4318	21410	10873	17432	20538	13302	6212	4134	24140	11371	0	4483	6708	4420	6789	470	0	10981	7726	926	16783	3462	4985	34228	28828	1413	9563	9976	15799	0	10934	7859	1818	1144	1587	7770	5067	4709	0	7455	2210	0	4387	2827	Lipid	0.071428575	1.7857143	0.071428575
14	C13 H25 N3	224.21213	224.21223	-0.22802362	224.21207	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11287	0	0	0	0	0	0	0	0	0	2611	0	0	0	0	0	0	0	0	0	0	0	3744	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1308	0	0	0	0	0	0	0	825	0	0	27125	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.0	1.9230769	0.23076923
12	C15 H29 N1	224.23727	224.23782	-0.2418374	224.23723	0	0	0	0	0	2409	0	0	0	0	0	0	0	62576	0	0	0	0	2493	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2228	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2071	0	0	0	0	0	0	0	0	0	0	0	0	1923	0	0	0	0	Lipid	0.0	1.9333333	0.06666667
16	C15 H29 N1	224.23727	224.2377	-0.06960968	224.23726	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5624	16585	25580	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3921	0	2726	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59204	0	0	0	0	0	0	0	0	0	0	0	0	84886	0	0	0	0	Lipid	0.0	1.9333333	0.06666667
8	C10 H8 O6	225.03937	225.03967	-0.07666038	225.03935	16364	20220	11631	17030	94011	37796	6680	6547	55894	3472	7873	9785	102581	42623	7726	7329	9478	60422	75913	3482	3421	5955	11833	5028	4616	717	9337	1844	5974	4955	7950	6281	12288	7282	4816	5980	11775	9024	9416	2192	3080	20278	1903	1402	2639	4359	1539	2078	5689	8314	14955	17008	45270	2158	48906	49774	22929	7552	2259	2213	6186	1287	121206	57865	23062	88332	28363	9359	0	1424	2305	6143	5375	4275	6026	7960	1626	5896	10292	5602	11229	3834	2271	0	59679	21082	15007	26012	35131	5970	0	0	5244	4567	3552	2639	17083	17390	44517	82727	77856	10897	8838	3392	0	8970	41148	1598	4269	119437	Phytochemical	0.6	0.8	0.0
16	C10 H8 O6	225.03937	225.03961	-0.07874743	225.03935	5460	6185	6388	7196	22161	13528	2884	4842	22409	3420	3323	5017	34943	16197	5480	3698	2914	25115	22346	1943	0	6410	11969	5492	2366	0	3105	2965	2708	5325	4324	2928	6538	2536	3723	3451	7070	6601	5164	2614	2008	6354	2665	2208	4280	3083	3105	4080	4069	5683	2952	6712	15007	2607	16054	13704	8869	4801	1587	0	0	1247	31214	17088	7127	26390	9579	4465	2334	0	0	4579	3934	3316	4223	2828	3050	3039	10592	4031	7613	2030	2237	0	23755	10270	10998	9139	11002	0	0	3858	0	2083	2595	3448	4378	6027	11420	25757	20110	7875	5698	2169	0	0	11495	3447	5607	39890	Phytochemical	0.6	0.8	0.0
10	C10 H8 O6	225.03937	225.03964	-0.07181313	225.03935	25001	18894	18771	20796	70350	44029	17988	10962	61891	9477	8821	13585	119728	57877	15009	11900	11957	93721	85868	4013	6589	10784	18746	11388	5807	1199	37478	7369	8599	11504	26077	10378	19562	9669	9243	7991	21298	11046	11693	2891	2470	27887	3026	1495	3408	4714	2556	3283	8926	17355	21337	24359	48770	2724	52991	49866	21167	16661	2525	3051	13635	1647	110710	66594	24489	97539	30530	12475	0	0	0	9589	9031	5928	8660	9159	2417	11580	15248	10584	15228	4662	0	1574	71307	32579	18112	27022	36220	7323	8501	8817	12250	9120	6384	3278	22465	21986	38227	64451	65870	22305	14514	3411	0	12151	43874	2585	7163	132459	Phytochemical	0.6	0.8	0.0
6	C10 H8 O6	225.03937	225.03969	-0.08049011	225.03935	9886	10120	7988	9714	40123	14465	3604	4109	30941	2282	3207	4783	62458	21780	4649	4802	3129	33747	31009	2441	3454	4616	6263	4248	2519	1242	2891	0	5509	4675	3425	5697	8548	3932	4508	2219	6390	4256	4440	1425	2487	10108	1464	1113	1811	4033	2065	1758	3651	3269	9050	9315	19203	2018	22896	30697	11150	6160	1166	1234	6317	1393	60682	21715	9619	42152	14163	4763	2025	0	0	5439	4804	3985	2585	4213	1595	4591	5093	0	5173	3419	1735	1086	33359	10024	5658	13811	15904	3080	0	3080	3050	2353	1485	1975	9304	9701	18685	43677	46403	9891	5168	2444	0	4816	27002	1380	3672	69581	Phytochemical	0.6	0.8	0.0
4	C10 H8 O6	225.03937	225.0397	-0.13360402	225.03934	4268	4236	2512	5057	11964	5931	1968	2621	10846	0	1617	2281	21552	8216	2158	2229	1887	11283	10871	1775	2938	4084	3435	2275	2052	839	1565	0	1823	2025	1934	2455	3933	2192	4071	1958	3568	1610	1528	3114	1629	5024	1652	1274	3029	3521	1421	2673	3702	1917	3831	2762	7278	1997	7688	11204	4289	3641	1549	1200	3761	1689	21244	9109	4048	13369	4461	3746	1992	0	0	3109	3870	2419	0	2318	1526	1839	3474	0	4086	2069	1703	996	12499	5097	2775	4571	6689	1308	2152	0	1284	1380	2060	4109	4062	4757	10033	18812	17306	2971	3125	1228	0	2303	8262	2002	2179	20847	Phytochemical	0.6	0.8	0.0
18	C10 H8 O6	225.03937	225.03958	-0.18926255	225.03932	5238	3845	5511	6625	16074	10437	2734	1821	13076	0	3456	5446	20033	11419	4170	4773	3601	13985	10114	0	0	1797	4599	3714	3203	0	2748	1999	3268	2389	6255	4611	4796	0	0	2733	6402	4740	2737	1213	1609	7449	2680	1701	3501	1910	2085	3724	4595	2683	6323	3588	9841	2483	13482	8461	7213	3722	0	1225	5945	1329	18527	11381	6435	16609	6029	2516	2041	0	0	1780	1794	1375	1850	0	2846	5733	7135	2482	5127	3145	1654	0	12164	4544	7095	8637	8988	2639	0	2762	2484	1757	2989	3770	4192	5552	9020	11110	11633	3965	3607	1693	0	2900	8338	2738	3568	14596	Phytochemical	0.6	0.8	0.0
12	C10 H8 O6	225.03937	225.03963	-0.105954766	225.03934	14001	17510	16460	21923	56432	33506	7703	13528	56639	7123	5427	9277	91275	50050	11861	9807	9080	70593	72733	5494	5091	5251	19788	8632	7521	1659	7363	0	9157	38657	13639	7700	15192	9749	8862	8741	13630	12275	6101	1616	0	21573	1914	2328	3797	3285	3807	3647	11234	49093	19352	16695	39801	3102	57993	35408	23659	9967	0	0	0	0	95800	47674	18730	90353	27954	6350	0	2306	2730	10538	7000	7618	8946	11313	1931	12389	16928	0	15148	3785	1226	1177	49154	25124	16264	18805	34243	7408	7036	12025	6973	7324	5474	4227	17069	22546	29859	49864	51988	16055	15031	2792	0	14397	32554	2634	6904	103575	Phytochemical	0.6	0.8	0.0
14	C10 H8 O6	225.03937	225.03961	-0.07747048	225.03935	12316	14939	13079	13213	40103	33417	9084	9329	39518	2931	0	8851	67854	36659	11082	5547	5681	48103	42532	1932	2066	5866	14887	6430	4787	1274	6085	0	6225	10396	10334	8763	11734	6785	4511	9752	13139	12037	5814	2913	0	15679	2878	2270	3148	2885	0	4085	8444	9198	12026	11153	25980	2611	38725	24763	18044	8299	0	0	0	0	69178	38004	15895	49955	19770	7158	0	1512	1822	5268	4933	5403	4355	7263	2938	8523	15473	0	16444	2368	0	1354	36555	21074	17231	17607	20120	6779	10243	5115	9818	7595	5028	3971	14096	14916	21798	35347	42275	9039	12086	0	0	8853	17980	2620	6294	60638	Phytochemical	0.6	0.8	0.0
6	C9 H8 O5 N2	225.0506	225.05093	-0.03236816	225.05058	4343	5802	6752	5971	10153	6862	2203	5503	11170	949	1973	5375	11775	4387	4195	6333	5781	14970	18808	1305	1066	6971	5831	5304	1800	0	2521	0	3713	4110	5431	6293	9587	4688	2166	4202	7523	3819	6615	0	857	11246	0	0	0	1844	0	0	5245	3383	6136	6862	10612	257	9350	5170	6512	6449	906	885	5420	0	22590	9108	5941	16044	12223	6172	0	0	0	4569	3770	1823	2727	3967	0	3413	3877	0	3361	404	526	0	7110	4583	4524	15036	13329	9677	0	0	10864	0	0	0	6609	7285	6052	6071	5664	8655	4968	1711	0	13464	4977	0	3143	30852	Unclassified	0.5555556	0.8888889	0.22222222
8	C9 H8 O5 N2	225.0506	225.05089	-0.097249635	225.05058	10355	13735	9954	9597	6598	8156	5036	16260	7223	1549	2627	9721	12266	5192	7632	21003	17765	14279	17020	1549	2767	6118	7363	12026	5361	0	5809	0	21993	16329	19757	28451	27378	25917	3574	18929	26102	7897	22229	0	0	18391	0	0	307	2225	0	0	22730	11365	11880	12671	14999	310	8718	3673	5388	27562	0	1052	25282	0	13476	9450	6650	14402	19000	20029	0	1241	0	18301	23588	16400	18778	26790	0	7311	8076	0	4962	689	814	0	4372	4103	7522	23902	27401	15188	0	0	17891	0	1358	342	13297	10393	5153	2859	2757	15396	9555	0	0	16224	3438	0	5113	18486	Unclassified	0.5555556	0.8888889	0.22222222
20	C14 H8 O3	225.05463	225.05482	-0.054877058	225.05461	6465	6152	6825	3983	5108	0	9021	32726	0	2392	0	11730	4958	4578	5424	32171	23783	2501	4806	0	0	2167	1381	7368	4228	0	8736	1495	22842	34290	22653	19809	14542	20904	1929	22581	13157	6244	31416	0	0	5085	2045	686	783	2133	0	1761	21588	34379	4586	4895	4083	1759	0	0	4296	24378	0	0	32890	0	4318	0	7421	12987	21927	19972	1674	0	1852	29724	17896	12401	28870	24507	638	12263	2485	3565	1363	1421	1245	0	2110	3010	2709	7713	7524	5691	0	0	2991	0	0	1703	6710	5856	2346	2413	4349	20632	11580	0	0	9072	0	1391	4888	2544	Phytochemical	0.21428572	0.5714286	0.0
16	C11 H12 O3 S1	225.058	225.05823	-0.11263953	225.05797	5360	6301	9485	7612	12087	11731	4604	1698	6957	13769	10364	2966	15608	7449	2392	6255	5449	14348	9641	11081	9674	16931	2489	1622	11367	0	2881	9778	2355	1876	2347	3208	5205	2462	13359	0	6462	3833	7469	7624	8463	7239	689	0	308	8206	14960	488	2943	1075	7906	4175	14318	495	6166	4474	3847	8921	12592	11482	0	8523	5139	4922	3520	11204	10269	4296	0	0	0	1768	2618	1924	0	2353	697	1492	2549	19952	1445	9054	11870	8407	8476	6928	8683	8690	9949	0	54557	40095	0	21254	23654	502	7671	7443	8842	8294	9139	6196	2128	13258	6818	0	10845	0	5593	10899	Organosulfur	0.27272728	1.0909091	0.0
18	C11 H12 O3 S1	225.058	225.05823	-0.08448391	225.05797	6849	7149	7610	4173	20880	12235	3652	1994	9213	12624	5141	1214	10801	7778	3919	5440	5541	22432	13140	12664	5292	15507	3286	3715	7709	1399	6252	8839	5414	2234	4092	5239	5781	0	9985	2846	9425	2562	5942	8210	6420	9398	667	0	321	8773	10566	0	3955	1663	8574	7097	11974	277	4697	3953	4951	10252	9343	8394	5203	4381	4769	5150	4563	11422	7116	6314	0	2752	0	3735	2129	0	3350	0	398	1728	3078	21011	2252	7497	8928	4632	8195	5923	4392	12280	10588	9197	42313	43426	11877	8820	19820	588	5650	11233	10484	4887	5257	8913	1903	9368	6963	0	9454	0	6159	9996	Organosulfur	0.27272728	1.0909091	0.0
20	C11 H12 O3 S1	225.058	225.05821	-0.13103697	225.05797	8120	7359	8482	9715	15081	11620	7604	2499	6403	4735	2778	4350	6903	6742	7367	9310	9336	19905	23266	7693	4495	7935	2108	5675	9101	1369	4686	8063	7787	5266	2251	4394	11984	7935	4144	4606	17431	5352	8139	4264	5151	12451	561	0	358	4310	3604	498	7121	0	7339	6798	14454	523	3620	4196	7263	13313	4409	5388	9062	2825	2514	5239	5320	8387	10738	10673	1617	0	0	3498	4478	0	5882	2759	355	1732	5605	11778	2796	4155	6743	0	3674	6126	14670	13044	15981	14176	26211	19762	10530	5538	8461	611	5434	6836	8351	5282	6061	13645	3187	7241	6997	11132	10005	0	8446	10209	Organosulfur	0.27272728	1.0909091	0.0
14	C13 H8 O2 N2	225.06586	225.06609	-0.02586371	225.06584	2683	2580	7423	6276	0	0	6082	18694	0	0	0	5247	0	0	4904	36289	6852	0	0	0	0	0	3243	15930	3287	0	3377	0	3886	9507	8393	9843	7483	9225	0	12180	5156	3560	12257	0	0	3239	0	0	0	0	0	0	9045	18118	2396	3998	0	0	0	0	0	17334	0	0	0	0	0	0	987	0	1477	13286	0	0	0	10696	9733	9116	18871	7721	0	6652	4746	0	3628	0	0	0	0	0	3004	4076	3267	33870	0	0	9559	0	0	0	2549	3925	0	0	0	7782	5977	0	0	17575	0	0	4588	0	Unclassified	0.15384616	0.61538464	0.15384616
12	C10 H9 O1 N4 Na1	225.07468	225.07475	-0.3500913	225.0746	356521	457581	418521	447549	765665	571497	326510	320865	912237	203679	190036	205622	991162	547911	353018	371977	291571	1136911	1025081	248910	249636	272274	378447	232096	278803	61070	324819	178795	447288	310849	511343	382462	609348	360353	315946	359222	552029	347092	321355	147253	146835	442936	41619	39247	52894	178072	136551	50814	431908	266412	428094	438565	702853	39617	1102728	554103	384982	449159	205033	148329	391256	112366	1036732	746499	309322	963901	506647	277300	95176	115374	105451	278772	369736	339763	286029	367162	32341	284848	286651	193339	279712	150541	188183	91623	598154	454973	364589	406597	565184	262558	269765	297608	264370	149199	167649	55462	444971	425263	592634	714043	697063	499415	278209	228591	104600	296513	652418	41582	216049	1243045	Unclassified	0.1	0.9	0.4
4	C8 H16 O5 S1	225.07912	225.07947	-0.17755653	225.07909	883	1637	1068	1143	0	1115	0	5671	0	0	0	629	0	0	347	3207	0	2407	20240	0	0	0	1011	4724	766	0	0	0	4686	3734	5081	6202	2200	0	0	4413	0	260	0	0	0	3942	0	0	0	0	0	0	2681	4623	1325	1012	2007	0	0	0	0	5617	0	0	3076	0	0	299	0	0	12545	0	0	0	0	563	380	6765	0	2142	0	732	0	0	0	0	0	0	0	0	0	1008	7388	0	0	0	635	0	0	0	1027	1481	0	0	0	1921	450	0	0	1433	0	0	0	272	Organosulfur	0.625	2.0	0.0
14	C10 H12 O4 N2	225.08699	225.08722	-0.10342026	225.08696	17782	16849	12258	12614	12782	12396	17760	16403	7613	3967	4141	12512	6236	7734	13972	19972	20761	14182	13828	2724	0	12801	9782	18026	10660	0	12576	0	14156	10267	19115	23807	20828	17804	5131	11722	29600	10286	18865	4561	0	15110	0	2245	2599	4490	0	3270	15944	9861	14674	11750	14862	2663	9430	3085	14667	24643	0	10527	0	0	7055	6335	7007	13584	14280	19042	0	0	0	12122	16000	11157	11756	13682	1714	14063	10908	0	15113	5207	3956	1359	5244	5023	16785	15761	19607	38838	13879	11539	36926	2898	3775	2832	12447	11137	7257	5067	2324	17174	14424	4624	0	29033	7493	2325	20127	6228	Peptide	0.4	1.2	0.2
12	C10 H12 O4 N2	225.08699	225.08725	-0.137471	225.08696	25187	34620	29736	28882	22725	28590	28055	32350	21234	9063	13102	19981	19769	12768	23170	40520	39700	42591	34778	10344	7414	38255	24535	37077	22505	1343	30128	13590	31228	24723	30113	32926	47685	34410	10464	26679	57091	22547	43563	6946	5922	30209	1974	2376	2825	10679	5906	3270	35190	24476	32450	31240	30744	3366	23195	8070	18208	50646	10028	9339	41653	2699	20434	17110	13349	28979	27092	50577	0	3134	5397	21953	26892	20798	38702	27102	1684	19746	20867	0	20715	9398	10989	5191	9705	13856	27382	28158	28521	64751	38159	28665	56582	5928	8054	3101	31017	26412	16029	10812	10372	45151	23469	11679	0	32921	21154	2330	27038	39922	Peptide	0.4	1.2	0.2
10	C10 H12 O4 N2	225.08699	225.08727	-0.11682532	225.08696	144124	126430	134564	127511	68392	142943	99940	220930	58703	26573	27981	164351	65727	61568	99175	275132	481067	160208	155431	27732	26427	80515	103311	181980	103102	2642	148109	31374	246904	206705	127828	251967	270353	293001	33442	226645	263631	109072	616872	16640	23802	179446	3834	2974	3105	37998	15450	3163	310520	153964	158072	133577	126433	3138	58393	27379	66542	273245	20727	23400	253626	9511	52428	71754	103572	83939	191205	671418	8924	18268	22124	209276	228550	142818	295047	205298	2063	134205	105895	40296	85202	20712	17150	8810	46458	71379	139918	154065	217412	239430	42560	45367	185122	20596	17306	4361	146776	123060	37754	25880	34383	249547	127154	21486	15026	208447	49611	3436	127902	102001	Peptide	0.4	1.2	0.2
14	C15 H12 O2	225.091	225.09126	-0.09660372	225.09099	15562	15993	14195	14277	15563	10787	15932	20125	12504	11504	16102	12988	10497	9392	15204	19050	17707	13090	14061	19864	15055	21381	17010	20715	12655	17463	16965	10970	13709	12146	19061	17123	21838	12934	20329	16454	17319	12762	22980	13362	13709	10453	0	2129	2221	15270	15832	2613	18752	12520	14661	19071	16022	2077	10330	10720	10597	22542	12656	13388	0	9412	12470	12128	8902	14293	14224	20422	14947	19927	22903	12388	12741	11746	17841	17285	2051	11178	21367	0	21418	14752	12703	9381	17162	8442	21512	12833	15979	34670	15864	12301	32523	10242	13315	2392	16299	14051	15223	13977	14950	17136	20103	16874	0	19676	8687	2187	15858	9424	Phytochemical	0.13333334	0.8	0.0
16	C15 H12 O2	225.091	225.09126	-0.06897838	225.09099	21617	25699	16231	24161	17469	15814	19879	22310	16512	19351	20753	15294	16562	16079	17216	28460	23107	17287	25538	20403	23099	27151	26899	26679	17277	25183	14226	11744	17554	18594	20217	20040	28022	17232	29808	17773	26536	16378	27755	19135	16477	13606	2272	2024	2615	14093	15039	2739	23323	20296	25647	21105	21190	2271	13028	11542	15797	28963	15419	20128	13845	13482	17776	12805	14904	17552	17894	21033	18116	26825	24504	15528	19039	19357	18168	20893	1849	14521	26884	20091	22544	17506	15778	15631	20485	14518	26904	18720	22839	32903	18118	23376	0	13312	21951	3120	22959	19344	15934	19770	16489	20609	17175	20759	9810	18799	16084	1752	23004	17455	Phytochemical	0.13333334	0.8	0.0
12	C15 H12 O2	225.091	225.09128	-0.13253304	225.09097	10649	13560	11465	11988	6860	7009	9399	13152	8544	7292	10459	7997	5034	5101	11109	16030	14555	8478	11273	10980	11267	9342	10745	15205	9063	12930	11947	0	10925	9629	6760	12425	14243	8917	12394	11502	14771	9543	14386	8181	10926	7588	1933	1638	1891	10822	7946	2733	11143	13547	9382	11192	8887	1771	11526	8162	8164	18487	7067	8021	0	5152	7608	7802	5450	10810	7046	11550	0	13409	18914	9762	8411	13109	12209	11370	1527	9083	13805	0	13447	11150	12648	7966	8089	8255	12913	7504	7545	21909	11055	12119	15025	7645	10632	2119	11336	10126	7582	10666	8963	10770	11698	7364	0	12351	5890	1800	12588	8923	Phytochemical	0.13333334	0.8	0.0
20	C15 H12 O2	225.091	225.09123	-0.107151255	225.09099	20823	31367	23505	19895	27805	16438	19456	24359	20199	24430	22334	21372	20007	23305	22769	33171	33604	29452	34706	26996	30130	35136	29252	33230	22187	21417	18079	21942	23940	22428	16022	21840	31886	19307	32850	19736	26206	25733	25026	22303	20709	22278	3987	4059	3576	20277	17070	4101	26671	19235	24131	25660	21951	4380	16056	16751	20269	28928	17598	17294	28267	14025	21356	21152	13611	28827	28368	22300	14109	25124	33131	16064	17298	17317	16843	21913	3643	16423	29454	27273	22989	13687	20638	11010	20055	13505	32759	31249	25881	33388	27124	25485	38382	21069	23100	4960	22262	21497	19423	23034	25354	27273	22398	26969	17324	26425	19419	3165	25033	19431	Phytochemical	0.13333334	0.8	0.0
22	C12 H16 O2 S1	225.09438	225.09457	-0.07997503	225.09436	4654	4066	3403	4156	3957	2874	1365	0	1353	15100	6617	0	0	0	1495	1376	1696	2659	1848	13704	17065	12764	0	0	2477	0	1115	7995	0	0	0	0	0	1171	10222	0	3764	1424	1597	3891	2584	1027	0	0	0	9993	14419	0	0	0	2462	3317	1882	0	0	0	1165	2824	6974	7681	1459	2762	0	1165	0	1466	2515	2907	0	0	0	0	0	0	0	0	0	0	0	12860	0	8600	7751	3416	0	1351	0	2085	2217	0	50567	43678	0	18923	24124	0	3002	4906	1486	1222	0	0	0	5797	8250	2016	0	0	0	0	Organosulfur	0.16666667	1.3333334	0.0
20	C12 H16 O2 S1	225.09438	225.0946	-0.08194847	225.09436	5753	7269	5092	3683	3301	3834	2590	0	0	14261	10384	990	1888	2756	1538	1750	3521	5345	3876	17747	15741	18817	1693	2312	3143	1519	1400	17346	0	0	3072	1448	3186	2940	17204	2471	2129	2030	3494	4811	4824	2002	0	0	0	6427	12200	0	0	0	3246	7980	3626	0	2048	0	1174	4462	8693	12443	3030	6102	0	0	0	2557	2447	3860	0	2700	0	0	0	0	0	0	0	0	0	26198	0	7574	8174	0	0	2320	2802	2608	1268	2094	60887	48058	3415	21623	27540	0	4462	6507	3614	0	2794	2550	1197	10245	13959	4275	2659	0	3146	0	Organosulfur	0.16666667	1.3333334	0.0
24	C12 H16 O2 S1	225.09438	225.09453	-0.13367571	225.09435	1081	0	1191	1702	1901	0	0	0	0	5587	4478	0	0	0	0	1254	0	1614	0	7549	5946	3650	0	1125	0	0	0	5271	0	0	0	0	0	0	6507	0	1350	0	0	4114	3144	0	0	0	0	5158	2765	0	1027	0	1495	1151	1255	0	0	0	0	1474	5921	3098	0	2686	0	0	0	0	2137	0	0	1877	0	0	0	0	0	0	0	0	0	6113	0	3837	3182	2534	0	0	0	0	1259	0	22266	21226	0	8628	7758	0	1822	2707	0	0	0	0	0	4702	3481	0	0	0	0	0	Organosulfur	0.16666667	1.3333334	0.0
18	C14 H12 O1 N2	225.10223	225.1024	-0.1711819	225.1022	4063	3759	3106	2352	0	0	6209	6469	0	2366	0	2113	0	0	2521	20809	0	0	0	0	0	2371	1827	10938	17970	0	3314	2415	13459	8434	6798	10213	7509	39991	0	9996	31818	3160	0	0	3370	1641	0	0	0	1484	0	0	15545	12234	5867	3025	0	0	0	0	0	3288	4762	3288	16089	0	0	0	1743	0	1142	0	0	0	0	55296	33294	5568	9681	8022	0	6147	2111	3153	2672	0	6493	0	0	0	1583	1975	1889	0	8194	9178	6728	0	0	0	5253	3264	0	0	0	10488	4304	4800	0	12018	0	0	5551	0	Unclassified	0.071428575	0.85714287	0.14285715
10	C10 H17 O4 Na1	225.10973	225.10974	0.19530904	225.10977	1593072	1415052	2630320	1298900	1776582	1315604	3345459	2951192	1487510	1072168	733758	2021088	1897282	1761586	1072248	3523628	3469576	2471368	2337079	1556202	1348728	1129580	1046310	2106968	1097266	993540	3327757	864188	3499044	3005044	2571680	3339464	4232816	3084666	1285914	3349084	3987600	1049212	4151483	879394	936184	1421498	289749	129220	147344	985418	854800	154848	3410598	1140716	1469202	1492850	3073380	139995	1922420	1365360	857270	4108980	909686	1047712	1757686	489038	1721178	1421406	1210256	1929492	1661560	3784436	706414	1033200	918212	2228296	2987708	2955780	3556608	2949400	117310	900827	1132610	748614	899234	919288	1914254	1595709	1773280	1284344	1494908	2558972	3069316	2743968	1381984	1380248	1226762	773720	1128780	185570	1403236	1623524	1344342	2029824	2226024	3899920	2017208	1414286	585382	2330116	1570166	137864	1947634	1923486	Lipid	0.4	1.7	0.0
4	C10 H17 O4 Na1	225.10973	225.1101	-0.030749656	225.10973	0	0	546	639	542	296	859	0	0	0	0	653	0	2141	264	1285	0	410	392	0	0	0	0	0	408	0	2298	0	0	547	0	0	0	0	0	746	0	393	0	0	565	0	0	0	0	0	0	0	0	0	0	0	674	0	0	0	823	567	0	0	746	0	274	435	0	0	2051	0	0	0	0	0	0	0	70936	432	0	396	0	0	360	0	2609	4392	0	795	843	0	0	546	0	0	0	0	0	0	1120	582	646	691	597	635	0	0	0	601	730	0	516	0	Lipid	0.4	1.7	0.0
6	C10 H17 O4 Na1	225.10973	225.11009	0.21508585	225.10977	1846	1660	1491	1155	1506	0	3785	793	0	0	0	1027	0	6647	535	2379	0	0	798	0	745	0	635	0	0	1618	5130	0	751	2226	1492	0	905	890	800	1243	1416	1215	1056	0	1892	1228	0	0	0	0	2216	0	1615	784	1545	1595	1268	0	0	412	1389	1156	0	894	1269	0	1662	0	3808	810	6132	2454	0	0	0	0	1111	2696	129193	2381	0	713	772	0	0	807	14921	24388	0	1775	614	749	778	0	0	0	0	497	0	0	1509	0	1134	2001	1030	824	519	0	0	1186	2557	0	980	0	Lipid	0.4	1.7	0.0
16	C11 H13 N4 Na1	225.11107	225.11147	-0.25179884	225.11101	746850	837522	766476	791517	1054037	980768	1084209	798625	951815	509142	402377	529762	1199621	1093205	723211	984015	1014221	1594363	1437029	686195	553569	514158	635249	593390	744627	238109	892264	427073	1079471	877273	883945	1166471	1395162	1063627	613853	1069577	1369794	662755	1106603	366866	293139	869742	143579	78280	90772	415126	342647	85910	1259115	715123	831616	793476	1042491	118045	1015260	795033	647719	1263476	452452	435784	903743	219927	1011070	832368	650158	1321645	1110064	913081	165439	237179	226635	824211	1042681	1034971	894624	1050445	65294	540867	629514	481433	472581	396898	918985	678483	923160	687366	846328	884146	1020915	840035	786627	780747	702290	311861	443981	111409	766585	838384	780079	905341	1148942	1364670	524525	572525	251024	767018	871419	74863	704570	1233741	Unclassified	0.0	1.1818181	0.36363637
22	C12 H16 O4	225.11214	225.11235	-0.111176	225.1121	209116	227923	181909	195691	197632	155189	439818	300982	180240	111511	91496	367577	152912	165775	437587	295282	340722	219380	183458	113300	113422	143462	428462	245302	431134	99544	383834	92076	312774	268427	231947	284233	301865	262920	134719	283126	265801	420834	303120	95436	103190	206044	88690	60628	73456	115924	129094	68227	298847	297467	210327	217695	195077	85262	227723	166093	192598	278066	112965	105696	269643	70758	195694	160146	165016	192609	183352	239049	81020	110448	125092	235626	217068	213376	209078	267136	61202	300620	548240	124912	464422	103934	182771	142168	206203	234869	553444	193610	196295	340237	178730	159047	275144	72812	97097	71960	183566	226118	141375	204184	186761	332934	343662	124851	93359	254602	151796	59170	481155	208335	Lipid	0.33333334	1.3333334	0.0
18	C13 H12 N4	225.11348	225.11348	-0.60366756	225.11334	467497	461686	422249	426345	547938	527266	586783	499999	477721	244547	178796	286879	714999	571334	497879	529314	499767	811653	755650	332076	245753	275204	393640	374249	433960	152140	515863	254235	639370	516942	497880	591133	751682	587017	277365	573233	779253	411106	512281	204760	160830	478429	125194	74655	95623	218508	153163	85222	596448	373380	442760	451164	522950	79449	707902	430190	369665	659012	273183	215842	517590	142182	596005	507761	393062	679448	595945	471505	109134	154781	169581	420611	446078	564252	433709	531439	74767	328225	414691	210226	326143	201175	466320	351208	463943	462377	461885	439036	542329	349761	456812	428062	448150	137288	218000	93756	435010	445554	432131	463829	521357	674448	344415	365047	147798	355917	398872	78839	385184	615945	Unclassified	0.0	0.9230769	0.30769232
16	C11 H16 O3 N2	225.12337	225.12358	-0.1290217	225.12334	2856	3972	4672	3667	7249	4164	2561	2893	2770	0	3489	3735	4561	4585	5070	3602	6063	2627	6051	0	0	3324	2960	4903	4836	0	4518	9161	4429	3361	4860	3694	5915	3825	0	5649	6047	1926	5464	1627	1774	1715	1428	1798	1807	1042	0	1945	5143	2702	4982	0	3567	1532	2703	1547	4383	4058	0	2711	0	0	4229	2088	1168	4267	3125	7464	0	0	0	5054	4288	3984	4855	4093	1123	3961	3624	27019	2995	1075	2470	0	3045	1456	6365	5046	4449	0	33841	49904	0	6598	3612	2286	4638	5616	2162	2755	3265	3625	3633	0	0	0	4358	1438	5474	3672	Peptide	0.27272728	1.4545455	0.18181819
28	C16 H16 O1	225.1274	225.1276	-0.14989638	225.12737	4231	4370	2871	3906	4340	3052	2734	6206	3187	3711	3162	3498	3171	3914	4073	5538	4192	4258	7240	3443	4846	5455	4429	7182	5527	4275	3570	3278	6261	6826	4997	6234	7684	4497	4155	8134	5570	4426	4697	3019	1942	4978	1415	1551	0	3259	0	1207	6101	7509	4309	3554	4939	0	3160	3890	2876	7479	2185	2892	6103	1605	2885	2556	2089	3448	5464	3867	3211	3938	3670	5043	5493	6083	3217	6359	0	4372	4458	12235	2819	2283	3006	2730	3653	2812	6845	5454	5540	6723	6262	4104	5858	22141	4657	1391	3242	4678	2360	4581	3983	6994	6382	4560	0	6514	2746	1234	4246	2960	Phytochemical	0.0625	1.0	0.0
26	C16 H16 O1	225.1274	225.12764	-0.06978532	225.12738	12179	15223	14194	13430	16489	9513	8850	19038	10732	8808	11124	13572	9868	9491	21451	19083	18192	10219	15912	13534	14716	13738	15019	18111	16047	12435	10970	10300	18752	20502	20640	21615	23942	13881	11018	22987	19581	11761	15203	10827	9561	23441	0	0	0	9528	5953	0	21724	18822	13952	11850	13116	0	11784	7595	10556	26231	12253	9114	26688	7825	8764	9344	5932	11120	15564	19406	10759	9163	10570	12868	13663	20745	13569	24477	0	14972	14884	11930	10062	7828	9687	10613	13226	6385	20464	13056	14465	20090	16765	12158	23650	13738	16606	0	12650	15801	11151	13614	12320	23506	14277	14619	7334	16265	9404	0	16519	7629	Phytochemical	0.0625	1.0	0.0
4	C9 H20 O6	225.13327	225.13362	-0.30974782	225.1332	1502	1836	2066	1767	1534	584	0	0	0	8918	17613	0	356	1071	0	0	0	370	0	2914	3046	0	0	0	0	268	0	11812	0	0	0	0	0	0	1615	0	0	227	0	5654	2226	2083	3292	0	0	5470	7904	0	0	0	1452	1706	2337	0	4945	0	5563	0	27452	953	1739	18041	1782	7145	3286	1680	2482	0	1992	1928	3997	0	0	0	0	0	0	0	0	13524	0	0	0	0	0	478	0	482	0	0	1799	1093	0	8605	3261	0	1787	2782	659	0	0	0	0	3269	554642	0	274	0	0	312	Unclassified	0.6666667	2.2222223	0.0
26	C13 H20 O3	225.14851	225.14876	-0.10915811	225.1485	114467	98450	103472	96218	95167	93266	181620	100176	57964	40990	52484	73756	66203	172911	85226	114448	110938	76441	118646	61007	51253	54785	63142	71592	71472	49610	161720	76741	113337	98929	100069	113379	191942	88295	54959	141548	181237	86392	122989	47547	35889	171658	35007	27779	45516	55326	39259	28545	122849	85260	104075	106145	85059	32922	74030	128284	290712	129230	57901	53447	110462	32660	77047	52735	276602	86814	139356	133595	42024	59904	46630	69212	73950	100261	81136	110329	36187	68801	68869	70402	58994	54446	88628	66887	214937	431369	107657	167783	97685	98313	184750	235498	100703	31091	48716	28598	101873	114312	93591	220043	542459	233118	71586	78666	55597	81930	323884	30148	76941	52767	Lipid	0.23076923	1.5384616	0.0
14	C12 H20 O2 N2	225.15976	225.15997	-0.20330797	225.15971	6233	5576	5208	6064	11103	2755	3256	3248	1474	2402	0	2920	4031	10661	1817	4721	5418	3051	2978	1743	3202	6401	1548	3217	1716	2542	2945	0	3715	1897	3429	8240	2666	8638	3739	4097	4355	1364	3573	3777	7131	1975	0	0	0	10439	22018	0	6092	2372	4962	0	2780	0	0	1405	1796	8502	0	0	0	1546	0	0	788	3751	1825	4162	0	2374	3946	4003	6459	4199	4086	3747	0	3245	1905	0	1618	8413	4241	2951	1561	0	0	5723	3146	7762	6474	5588	7905	0	2837	0	5258	1915	0	1342	1287	2685	2391	2067	0	7898	4321	0	2689	3223	Peptide	0.16666667	1.6666666	0.16666667
12	C12 H20 O2 N2	225.15976	225.15999	-0.21706294	225.1597	4595	8210	7102	5345	3203	2537	3622	5628	0	3051	2437	4541	0	1401	2370	11643	9472	1680	1594	4439	3419	9567	2670	8449	2857	5204	5308	0	4581	4635	2809	6904	3150	7109	3860	4056	7817	2797	9556	2736	7988	2796	0	0	0	22728	45576	0	9044	4211	7009	3675	2069	0	0	0	1476	10206	0	0	0	0	0	0	1074	1602	2101	8659	0	8664	6008	4834	4008	5572	12047	4649	0	2571	3138	0	2610	19983	4023	3930	960	2440	3908	3795	1764	19241	8195	7203	18872	0	5675	0	7898	6411	0	0	1417	5039	2831	4196	0	8037	3171	0	4125	1271	Peptide	0.16666667	1.6666666	0.16666667
10	C12 H20 O2 N2	225.15976	225.16002	-0.14017841	225.15973	8415	7654	6740	5834	7045	3544	5220	5383	2686	7608	4224	2671	3125	7482	3677	14124	9208	7196	5072	3748	5828	8656	4862	15153	4959	3862	7089	18185	6803	6071	5355	8162	8523	6166	5553	5743	8547	4659	12213	7334	6619	2993	0	0	0	28917	34634	0	7110	6802	6501	6871	4310	0	2173	1427	1832	11871	2222	5223	9050	2883	3482	1911	5873	3275	7289	10867	0	2182	4870	7736	6770	6265	10343	5387	0	3360	7282	26179	3763	16677	5187	3819	4251	11468	8378	5487	5804	22164	10851	5802	16389	6380	8930	0	9131	8894	2125	1634	4536	5825	4177	4607	0	7355	6382	0	6566	2048	Peptide	0.16666667	1.6666666	0.16666667
18	C17 H20	225.16377	225.164	-0.13476993	225.16374	5933	10806	10612	5712	4960	3711	10080	11672	6181	0	4370	4550	4004	4839	8338	12840	22165	4139	8181	4986	2723	5982	8142	6330	9113	7220	12409	3940	10560	13497	5921	11146	10227	8204	4992	5722	6913	9334	25364	4804	7767	4103	0	0	0	8003	6611	336	11760	9014	9096	9402	5049	0	3365	7490	6209	18410	4477	8475	10479	3314	0	4166	5075	4744	5830	20235	5584	3988	6175	5944	5691	10837	23444	13611	0	7742	9780	5947	11886	4973	10587	6779	6499	7890	13633	6824	7471	32971	9352	12322	17504	5046	5574	0	9350	11291	8926	9913	12867	6436	8273	8063	2488	10495	6210	0	12471	1957	Phytochemical	0.0	1.1764706	0.0
26	C17 H20	225.16377	225.16402	-0.09760804	225.16376	19179	16977	16290	16710	15208	8308	17041	25633	12364	7657	17179	12266	6713	12120	23403	28935	22384	9862	24564	17165	14911	20874	15279	22074	26287	15533	13392	18223	21447	21301	18526	22345	23920	19290	15901	28876	23010	17362	27944	13949	16303	40586	0	0	0	11319	7946	0	23854	20155	17382	18866	11550	0	12571	9473	11011	33376	10568	8651	30691	10170	10094	12186	7033	12903	15450	29100	14173	19272	19428	19473	15817	22599	18914	27332	0	14898	29670	25209	13125	11656	12050	12747	12256	11810	43468	13730	13591	45004	26798	21882	28894	15570	12902	0	18018	16211	17385	16975	13552	26347	14535	17470	11772	20105	13949	0	21417	10568	Phytochemical	0.0	1.1764706	0.0
20	C14 H24 O2	225.1849	225.18512	-0.15870342	225.18488	16164	18156	18135	12340	3216	14183	215291	6969	0	4075	11375	7873	4857	118466	9286	9898	15119	4831	5009	8679	7807	8372	4766	3430	6368	61882	245685	27129	9191	7065	6829	7898	6130	7518	2721	11140	7401	10409	19358	3740	15380	18398	37686	16744	13294	8119	14584	17167	4786	9656	15006	11077	6308	19891	2316	12983	13295	8594	5521	20178	20985	6599	27190	2510	60012	13010	28648	17929	12223	17797	20164	4711	5408	13538	15637	10355	17084	4464	8791	45667	2851	14630	133347	303620	4908	5823	15409	10003	6750	31309	34977	26008	6331	9637	9558	19511	13664	16398	19564	3462	5550	5269	5343	14994	10665	7617	4942	18490	8761	3868	Lipid	0.14285715	1.7142857	0.0
18	C14 H24 O2	225.1849	225.18507	-0.18182643	225.18486	5155	7740	6450	5352	1664	3300	171708	3608	0	0	5635	1850	0	52160	0	0	4173	0	0	0	0	1805	0	0	0	37282	172596	8567	0	0	1607	0	0	0	0	2748	0	1538	4727	0	3378	3270	7541	1858	2366	2319	2786	2962	0	1337	5715	5551	0	2995	0	5184	7965	3527	0	9684	3491	3511	12961	0	36420	0	14392	6881	3939	3019	6848	1883	0	2750	4377	0	2515	0	0	14498	1188	6723	103407	397346	0	1474	4252	1175	3842	9522	6272	7308	0	1467	2519	2682	7097	5686	6089	1319	3507	1713	0	3001	0	0	0	2351	1427	1918	Lipid	0.14285715	1.7142857	0.0
20	C13 H24 O1 N2	225.19614	225.1964	-0.11009815	225.19612	49335	49072	47256	45255	48407	84743	0	0	0	214776	138592	863	23533	70846	0	2004	8496	27346	40868	85226	197868	0	0	1921	1764	0	1393	618747	2744	2396	0	1443	2661	2237	52613	0	0	0	8086	2131	1918	185444	26529	0	994	1677	4632	3656	2609	2308	44567	44736	38944	2754	0	22782	303856	3890	0	2833	1970	0	13966	7198	0	192250	211435	7214	0	0	1861	1694	1605	2691	8986	1399	952	0	0	9856	1823	23540	1529	0	280362	535809	0	353571	76500	7324	6381	3333	13006	2167	0	4444	35429	41325	38438	125714	714434	2082	0	0	7081	4096	336447	3605	1839	0	Unclassified	0.07692308	1.8461539	0.15384616
6	C13 H24 O1 N2	225.19614	225.19643	-0.20660703	225.19609	16445	18732	15681	15238	884	2013	12456	30536	0	13276	6802	15360	0	845	12652	29947	20409	1097	4511	15905	15266	15284	13178	35832	11233	1272	15593	6098	23755	26094	30218	37476	24934	28822	17733	28913	25474	12527	27395	17605	7867	4698	0	0	0	16099	16410	0	34291	27482	14078	16294	2279	230	0	424	2545	31648	0	0	35148	9217	0	0	2419	2167	4740	30562	0	2535	2193	28633	30873	35254	24562	25884	277	15429	13430	7302	17513	1641	1510	12705	0	2418	9989	6166	7526	25412	12210	2970	29437	12111	21201	0	13202	14147	375	0	0	21825	15446	26598	0	21855	0	0	13949	842	Unclassified	0.07692308	1.8461539	0.15384616
24	C15 H28 O1	225.2213	225.2215	-0.113815635	225.22127	8199	8280	10340	9321	2116	11993	163851	4272	1040	7111	10675	3417	0	175165	4198	1726	5907	1598	3502	3945	2043	2270	2068	0	3074	26745	161810	22811	2269	4933	3868	3326	5613	2293	3394	3836	3377	3397	5069	3004	15956	9075	11486	3864	6834	5715	11163	2805	4216	4277	8528	8526	1519	7564	0	17468	21806	2867	5024	17327	10657	5717	32341	2041	135739	3044	15278	7067	7961	8231	14614	2186	3063	3118	2800	4792	7258	3967	1288	32953	2163	12495	32548	83387	0	4042	1541	26092	7932	6117	20301	13527	4107	4394	6121	4583	11224	14462	20449	0	2279	3167	2682	15606	4218	2836	1879	4070	3510	10686	Lipid	0.06666667	1.8666667	0.0
22	C15 H28 O1	225.2213	225.2214	-0.114617005	225.22127	0	0	0	0	0	0	18844	0	0	0	0	0	0	13479	0	0	0	0	0	0	0	0	0	0	0	2346	21487	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	745	0	0	0	0	1555	0	0	0	1594	0	0	1007	0	0	2288	0	0	3751	0	8253	0	0	0	0	0	0	0	0	0	0	0	768	0	0	0	0	0	5921	9596	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1616	0	0	0	0	1483	0	0	0	0	0	0	Lipid	0.06666667	1.8666667	0.0
16	C9 H7 O6 N1	226.0346	226.03479	-0.15423878	226.03458	3354	3976	3050	6244	5933	28501	0	0	6351	0	0	1560	10959	35154	0	0	0	7113	16813	0	0	0	4292	0	2199	0	0	0	0	0	2495	2894	9306	0	0	0	8767	1980	1953	0	0	14190	595	431	403	0	0	370	1973	2479	4364	1928	8643	637	6490	1111	1455	0	0	0	0	0	14490	0	3414	12788	35040	1254	0	0	0	1605	3060	2115	0	2580	0	3813	0	0	0	0	0	0	0	0	0	2816	24145	0	6826	50926	0	0	0	580	4965	2724	1365	1291	0	3262	2213	0	0	0	1728	374	0	21207	Phytochemical	0.6666667	0.7777778	0.11111111
12	C10 H11 O3 N1 S1	226.05324	226.05353	-0.0808791	226.05322	4791	6906	4179	7717	7336	3538	3598	3575	2762	4176	2667	2207	3968	3503	3189	13569	8291	12988	11618	6449	2524	9672	4032	7715	5136	1425	5586	0	3746	4090	3262	6666	7524	7587	4215	3513	12778	2220	8570	5729	12664	5376	347	0	248	6345	6533	414	7777	4555	8889	5114	5594	440	2746	3526	2602	9521	0	0	0	0	4587	2979	1944	4958	3409	7268	0	0	0	1661	3771	3181	9443	4545	221	1479	3037	0	3119	3680	4843	2500	1947	3000	8591	9083	6829	10259	23723	18768	14195	3985	8554	430	7965	11258	3266	3738	2396	11094	1476	9157	0	8262	5702	0	3457	11763	Organosulfur	0.3	1.1	0.1
16	C10 H11 O3 N1 S1	226.05324	226.05347	-0.07570587	226.05322	3573	4180	5384	4869	6776	9648	5330	3334	2266	0	0	3138	3337	11348	2205	4083	8794	18202	5828	2123	0	3631	1705	4260	3389	0	4363	0	1660	3421	8929	4259	14591	5046	2037	3373	13405	1858	10124	0	2177	2271	442	0	0	1556	1797	455	5812	3655	4130	4018	11700	327	0	1303	1518	8166	2041	5287	0	0	0	2276	1386	49181	5663	8744	0	0	0	5466	3543	3251	2941	3333	0	4024	1831	7757	2016	2233	2992	0	0	2082	2965	5179	3381	0	7395	8244	0	1365	0	0	3166	3921	0	1098	0	12895	5392	3152	0	0	1656	0	2948	6309	Organosulfur	0.3	1.1	0.1
14	C10 H11 O5 N1	226.071	226.07126	-0.12006829	226.07097	30170	35685	29570	37194	43692	40196	23890	27743	32956	24020	60743	31683	37414	25928	29033	34535	44651	48232	37901	3537	8667	26607	31353	37807	20320	1409	26049	11074	27130	23919	30177	29967	45574	31267	26686	28289	51202	26630	47557	8588	6057	38438	5022	3541	4383	12398	4995	4710	33464	24332	34204	33251	44305	3671	29032	17345	26553	50828	11477	8941	39613	2713	38238	31863	19472	45237	27597	46456	0	1814	3002	27858	25594	21555	30602	27040	3482	26631	29403	0	23950	7097	11585	2891	22113	19760	35407	56645	53231	52226	34023	58814	55170	10720	8363	4979	32914	28522	23007	25561	20478	44814	30618	13312	0	53138	19495	3903	29520	54547	Phytochemical	0.5	1.1	0.1
6	C9 H11 O4 N3	226.08223	226.08255	-0.15288489	226.0822	6963	8624	7086	5841	6631	5237	6759	9682	5973	2115	3559	5667	7687	3681	7327	16814	12437	11536	12521	2963	1564	8924	7842	12888	4870	0	5547	0	6166	4338	10621	6850	12474	8126	2183	5403	12257	6020	21605	0	2105	7807	0	0	0	3178	3265	0	11161	5447	10286	7954	8060	0	5752	3599	5302	13320	2307	3089	15693	0	9178	5066	4656	9135	8879	14892	0	0	0	7330	5822	4022	7964	5518	0	4941	8969	2765	6717	1883	1972	0	5296	6760	9399	10599	9782	26157	5810	3804	24871	1849	1447	0	6088	8519	3718	4422	4301	10380	5137	2760	0	14831	4756	0	6292	13016	Peptide	0.44444445	1.2222222	0.33333334
8	C14 H11 O2 N1	226.08626	226.08652	-0.15996532	226.08621	4913	3722	3596	4311	2394	3167	2325	6712	2639	4294	4033	2013	0	2378	3459	12259	8357	3034	5597	3137	1934	930	4611	11375	6075	967	3201	5807	6236	4658	3980	4972	5544	5172	2601	3366	4575	2385	9343	1411	2284	5736	0	0	0	1671	1471	0	6093	5995	4376	3643	3178	0	1645	720	1958	8951	0	1153	10325	0	1740	1334	1994	1835	3584	9790	0	2439	2256	3658	2207	1271	4044	4761	0	2922	4602	0	2719	732	0	1045	1114	0	5556	6857	4972	26713	0	0	19377	0	1763	0	3662	3666	1773	943	0	6578	2606	0	0	8018	0	0	3516	1616	Phytochemical	0.14285715	0.78571427	0.071428575
12	C11 H15 O2 N1 S1	226.08963	226.08989	-0.0975856	226.0896	2053	0	3180	2190	0	0	0	0	0	5965	2329	0	0	0	0	1544	0	0	0	4040	3735	6491	0	0	0	4341	1721	0	0	0	0	0	0	0	3305	0	0	0	0	5100	11783	0	0	0	0	2494	10623	0	0	0	2021	0	0	0	0	0	0	3510	0	0	0	2448	0	0	877	0	0	0	0	3345	2978	0	0	0	0	0	0	0	0	0	0	3864	2367	7726	0	0	0	0	0	0	11968	11073	0	6151	20670	0	1902	0	0	0	0	0	0	4207	0	0	0	0	0	0	Organosulfur	0.18181819	1.3636364	0.09090909
4	C8 H19 O6 N1	226.12851	226.12883	-0.3285422	226.12843	3268	4852	2254	1910	596	281	332	0	0	2760	4180	0	0	1246	256	424	0	285	427	0	894	1999	333	521	0	1272	0	7524	0	0	0	0	0	0	1602	0	0	0	0	4009	4456	0	1071	451	608	1725	11593	462	0	0	2357	2893	0	585	0	492	464	0	839	7589	3193	2402	764	0	0	1274	333	0	12126	1716	10860	0	0	451	0	582	905	360	0	20608	0	904	509	0	390	500	0	743	0	428	2464	1964	0	7156	5112	0	1067	3464	0	545	0	0	0	1745	36238	0	0	670	311	914	A-Sugar	0.75	2.375	0.125
6	C8 H19 O6 N1	226.12851	226.12886	-0.23357154	226.12846	3576	1863	5742	4239	1420	999	0	0	0	5453	4559	554	1841	1758	0	0	0	1505	793	2825	5990	2489	0	1081	0	1149	0	46919	0	1049	0	0	750	0	990	718	0	0	0	6012	4797	1568	14129	839	1051	13207	14057	1137	0	843	4215	2635	850	2314	622	553	631	730	19033	4066	6516	0	2417	0	2149	3334	3592	0	5108	4294	5495	0	0	1031	0	618	1187	620	551	108809	530	1607	891	0	1851	1972	0	1175	0	0	0	0	0	34651	17642	614	5607	4995	619	0	1695	0	0	7412	342530	0	557	1624	0	0	A-Sugar	0.75	2.375	0.125
0	C9 H15 O2 N5	226.12985	226.13008	-0.30210933	226.12978	0	0	0	0	13404	0	0	0	910	0	0	0	0	0	0	0	1993	0	1368	0	727	1754	0	0	1821	0	0	1310	1707	0	1782	0	1825	0	0	0	0	1268	2998	0	0	0	0	0	0	0	0	0	1350	0	0	0	9246	0	2309	393	5206	2058	0	0	0	0	0	0	12461	0	0	2381	0	0	0	0	0	0	0	0	0	0	1410	0	1148	0	0	0	777	3285	869	0	1764	2910	1229	0	3229	0	0	0	0	0	3901	741	0	0	0	0	0	2975	26035	0	1479	0	Peptide	0.22222222	1.6666666	0.5555556
18	C12 H19 O3 N1	226.14377	226.144	-0.13599353	226.14374	30986	24012	26233	21278	40167	21020	24187	28933	21935	30051	23956	19782	25812	27356	25236	29301	29243	35043	25181	40404	35377	17507	9805	13499	18749	2126	19126	24404	51388	38810	42381	49545	114651	42905	33277	52111	92575	15432	39843	7804	17609	23972	4039	1836	1916	17092	21757	2130	48384	31342	29878	26026	35828	2817	23968	8824	9489	43068	13626	28570	27631	5561	11438	12371	14739	22254	24558	35794	1667	2348	4455	34883	36196	36627	29622	36455	1810	22471	8512	21165	5945	15990	19932	7636	7062	11727	12793	28683	27326	19824	50878	35144	21032	19449	31265	2194	22107	26025	20876	6044	7814	89233	21336	22160	12286	24627	20343	1756	13522	26077	Lipid	0.25	1.5833334	0.083333336
6	C11 H19 O2 N3	226.155	226.15532	-0.16089028	226.15497	31937	39756	35753	35949	12135	10670	54032	34120	9945	18412	10345	27098	6941	5951	23092	51350	62739	18552	45471	17802	19808	50554	24846	68547	33462	12905	45442	12455	51375	45798	40144	52715	142785	41795	24625	42979	118229	21850	74330	10795	10738	20559	0	0	0	19074	11558	0	49938	25830	41347	40166	15817	0	11065	2688	11489	76075	935	1689	54560	5199	7579	7007	10911	9979	23026	73921	13445	23566	24934	20418	34558	50007	53923	44209	0	26162	36695	6154	23111	4326	3536	9140	9610	11622	69182	20136	23857	221200	32970	7902	178125	6962	14043	0	33543	30668	5799	4780	3960	126075	26364	13680	0	65892	8866	0	33440	13602	Peptide	0.18181819	1.7272727	0.27272728
8	C11 H19 O2 N3	226.155	226.15527	-0.21498358	226.15495	3009	3355	4219	4130	1388	0	2629	2660	2767	889	1231	2506	0	1240	2172	4290	3040	809	3783	2316	2259	7819	2968	2901	10371	852	4185	1638	2349	2512	2697	3277	4462	1541	2029	2798	4750	2746	7033	1422	2741	1059	0	0	0	2138	1690	0	3527	2083	4281	2749	1188	0	1150	758	1901	7048	0	0	0	1093	2172	1563	2270	1807	1799	11088	0	1630	0	850	1694	1582	3469	1648	0	2078	7118	0	4871	1366	0	1761	4283	4362	12294	2953	2132	21966	0	0	16632	1646	2114	0	3135	2606	2280	2130	1835	2769	2574	0	0	7180	2321	0	4808	3150	Peptide	0.18181819	1.7272727	0.27272728
8	C16 H19 N1	226.15903	226.1593	-0.0832923	226.15901	2001	0	2587	3563	0	6295	0	1191	0	930	0	2361	0	1805	0	3520	3199	0	0	0	0	0	3834	5731	722	2745	1282	0	0	2260	1896	4490	1268	3594	0	1609	1114	1853	1527	0	0	49133	0	406	394	0	1299	384	7865	1195	1671	2534	15968	338	0	0	10149	5665	0	0	7222	0	0	0	4206	3058	41545	9161	0	0	0	2376	4028	1160	2264	2843	352	789	3523	0	3429	0	0	0	0	0	3819	5471	4216	11919	0	0	13064	0	0	625	2928	3277	0	0	0	0	1065	0	0	18544	0	453	2028	0	Phytochemical	0.0	1.1875	0.0625
20	C13 H23 O2 N1	226.18016	226.18039	-0.03947613	226.18015	308423	308425	295066	230630	244750	139187	172018	324242	73609	133310	152846	155577	129008	245396	70480	449964	915033	36983	0	89359	97354	186662	29937	154408	69832	108428	267380	158007	473176	292935	194356	595880	677742	244814	191478	282389	370862	78995	1252275	133583	662879	2028859	286663	64148	86541	219936	402798	127003	404207	313661	297068	295246	171081	227706	78633	22371	69991	410170	36993	719483	274742	24182	0	91145	141400	284576	298259	1434685	80012	107380	564579	331486	286520	257461	652262	389254	127479	111667	87930	347150	97457	0	84403	157783	98280	243235	105157	284305	321830	717970	143407	135519	114413	68192	77192	126533	262301	223877	91509	88845	244718	475354	193777	386344	50738	556188	147961	113734	71096	154229	Lipid	0.15384616	1.7692307	0.07692308
10	C13 H23 O2 N1	226.18016	226.18042	-0.19178511	226.18011	14838	15796	10443	14669	6312	5746	8538	9352	2097	22567	8418	7758	4014	4440	4256	15883	9722	5758	9206	18691	24221	22196	8600	13434	11189	12462	12258	5830	7838	13009	8718	14416	12125	9426	30812	7135	20298	6349	17369	27144	12241	4441	0	0	316	10224	10343	0	16930	7472	16361	15611	7750	504	2850	1696	2951	29838	0	1443	25077	6313	2241	2913	2529	4790	3246	24114	6939	13998	11462	12744	12550	8376	17401	15693	0	5366	10419	6253	10318	1263	0	12411	1915	1233	20725	6530	7536	35046	33775	4353	29859	8248	14417	0	13452	12080	6827	1727	1488	16941	7642	7302	0	12749	3360	0	17282	4986	Lipid	0.15384616	1.7692307	0.07692308
14	C13 H23 O2 N1	226.18016	226.18044	-0.13194002	226.18013	4545	6792	3323	3001	11372	1584	3933	7509	0	14389	5325	2750	1544	5121	1926	7199	4778	0	2502	16975	22284	0	3671	5498	1557	9927	2073	0	2453	6104	3317	0	2556	1842	18194	2894	2005	2895	4695	15390	16619	1382	0	0	288	5215	7308	0	3904	7880	5077	5649	3480	295	0	2206	621	8195	0	0	0	7208	2393	0	1314	3807	2611	6144	0	9008	18068	6752	8061	18997	2757	7057	237	900	3417	0	4400	1178	0	13668	1157	0	5790	0	1649	19428	6581	0	15840	0	5781	0	3582	5481	1649	0	0	2226	1569	0	0	7006	3174	0	2936	0	Lipid	0.15384616	1.7692307	0.07692308
22	C13 H23 O2 N1	226.18016	226.18037	-0.088850416	226.18013	209955	174483	190527	173386	197133	148896	280071	326690	181455	145984	156945	92895	146513	290087	133217	219223	327912	51734	96460	115088	148424	122240	41512	81917	88726	124253	285875	293247	392535	203675	187871	378058	660555	111617	153381	219367	234356	163288	392940	95372	153332	1849112	304996	92341	185441	289116	874371	157617	141186	288542	163788	175687	127607	308518	328092	61905	143588	184968	135141	328860	213949	59410	214963	148734	226033	160392	305698	0	74289	106046	250295	217239	88773	161359	286223	165633	0	104819	140301	278361	178963	0	238561	246270	240350	738508	106257	203319	232982	289742	128133	146807	285936	73182	154067	94001	211306	249622	189708	97439	409242	509963	159586	576415	99517	549772	365963	136581	91729	156334	Lipid	0.15384616	1.7692307	0.07692308
12	C12 H23 O1 N3	226.19139	226.19162	-0.09251991	226.19136	197819	155428	203866	173719	0	2455	238088	817273	0	13305	35784	396212	0	0	158449	182435	197216	0	0	4281	1892	0	14500	2850	46138	0	108875	66952	555816	975118	901789	849489	625844	657247	2121	1138369	668318	196477	195508	0	0	11558	311	403	0	0	0	0	493653	908399	207125	163462	3468	0	0	0	4810	156484	0	0	168912	0	0	0	4514	1510	11155	251262	0	6648	3877	876210	1435846	1348746	529852	1110809	0	391507	0	0	2927	0	0	1254	0	2039	0	5000	3404	0	0	0	0	0	0	499	194568	171439	0	0	0	218878	302821	0	0	46951	0	513	127331	0	Unclassified	0.083333336	1.9166666	0.25
10	C12 H23 O1 N3	226.19139	226.19165	-0.1775371	226.19135	0	0	896	0	0	0	0	98196	0	0	0	2017	0	0	19198	1363	2584	0	0	0	0	0	0	0	37251	0	0	0	121206	2584	2751	1746	0	2162	0	2188	1289	663	0	0	0	0	0	0	0	0	0	0	1158	21095	0	0	0	735	0	0	0	1464	0	0	0	0	0	0	0	0	0	1201	0	0	0	1858	3835	4704	0	2708	0	2366	0	0	0	0	0	0	0	2333	0	0	0	1561	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1111	0	0	0	0	Unclassified	0.083333336	1.9166666	0.25
14	C14 H27 O1 N1	226.21654	226.21695	-0.10858153	226.21652	0	0	0	0	0	49508	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2480	0	0	0	0	0	0	0	0	0	0	1161	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1592	2078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.071428575	1.9285715	0.071428575
4	C14 H27 O1 N1	226.21654	226.21686	-0.19794099	226.21649	1908	1306	1133	814	0	0	663	1770	282	1502	0	615	280	0	677	2725	0	0	468	1575	1580	3024	1126	4759	2735	1770	0	0	0	0	553	739	422	0	1557	626	0	989	0	1175	654	536	0	0	0	1552	1599	0	1158	2166	1026	851	327	0	0	0	373	2975	0	0	2616	0	0	0	0	335	674	0	0	0	0	916	427	666	0	430	0	536	3856	0	2249	0	0	1160	0	0	1968	449	0	9541	6003	0	26508	1566	3565	0	882	1070	0	0	0	0	702	962	0	4785	0	0	2383	0	Lipid	0.071428575	1.9285715	0.071428575
24	C14 H27 O1 N1	226.21654	226.21677	-0.08413424	226.21652	3853	3921	4506	3354	0	1684	4481	31541	0	2292	1102	5606	0	0	4412	10646	11352	0	0	0	0	0	2427	48881	2838	1487	3434	2881	13758	47189	13497	2665	2940	3339	0	5153	2235	2513	11285	0	1551	18224	0	0	0	7848	3071	0	15546	39529	3137	4395	0	0	0	0	0	6805	0	5434	8242	1305	0	0	0	1973	4883	15281	1061	0	0	24955	5322	18340	4636	31437	0	7878	0	3259	5946	3771	2738	3634	0	0	0	1443	0	0	3254	2791	1529	0	1798	0	4506	5229	0	0	0	0	5926	0	2024	6484	1391	0	4906	1183	Lipid	0.071428575	1.9285715	0.071428575
6	C14 H27 O1 N1	226.21654	226.21678	-0.28708062	226.21648	884	1003	1527	973	0	0	0	2120	0	2386	1059	1199	0	0	775	2080	1147	0	0	3048	1357	1257	1303	1674	983	1435	887	0	2459	1895	1969	668	1822	1261	1902	1146	1169	1392	1329	1548	0	458	0	0	0	0	1847	0	2042	730	959	850	662	0	0	0	0	2438	0	0	2607	1202	0	0	413	0	695	1241	0	1722	2207	1684	1051	719	0	783	0	1072	1694	0	1341	0	0	1676	0	0	1151	653	842	3628	27766	0	3389	906	2312	0	1490	1300	0	0	0	1222	775	0	0	3155	0	0	1773	0	Lipid	0.071428575	1.9285715	0.071428575
14	C10 H10 O4 S1	227.03726	227.0375	-0.09379173	227.03723	4653	8332	5618	5614	22091	14837	3645	4603	13873	3431	4589	1793	28313	10003	4055	5369	7995	29405	15332	2965	3621	10071	3728	4308	7702	0	5114	0	4211	0	2505	0	10856	3438	9047	3116	6644	5226	4911	1915	3627	6226	0	311	404	0	4480	414	4228	0	6839	5175	14251	214	11327	8491	5974	15568	0	0	0	0	6079	7067	3705	18646	7690	3622	0	0	0	2132	3696	1758	2336	4445	295	1613	2596	0	2816	3390	1860	2598	8744	5806	9038	13951	13793	4965	27577	27606	4954	6167	7673	530	9906	6720	8534	11741	9919	4998	2380	2289	0	7554	9210	0	7150	24478	Organosulfur	0.4	1.0	0.0
16	C10 H10 O4 S1	227.03726	227.03749	-0.11604842	227.03723	5937	4390	2368	5236	14693	16282	2096	1875	8874	2888	1944	0	19789	9004	3868	6189	3679	23722	16717	0	0	3736	2674	1931	3849	0	2993	3067	5894	2212	2716	4783	6994	2833	3371	2668	6060	1780	3914	0	0	8926	682	0	451	1876	1462	424	4857	1131	4628	9911	13705	324	5306	5579	5975	12123	1959	2317	0	2330	6140	4768	6695	16383	11077	5161	0	0	1822	2807	3824	3709	2398	3711	0	1128	4774	6161	1149	2288	2685	0	7046	4529	7880	9349	9018	0	15931	13990	0	4747	2539	539	5626	4865	8322	5672	7234	5036	2998	1718	0	0	8278	381	4303	15925	Organosulfur	0.4	1.0	0.0
18	C10 H10 O4 S1	227.03726	227.03749	-0.08323815	227.03723	3339	1964	4611	4020	9791	11767	3635	2476	2890	0	0	0	12571	5567	2141	5380	2765	21723	9679	2339	0	0	1384	1610	3484	0	1743	1742	0	3237	1703	0	3634	0	0	3043	3109	1474	1574	0	0	4689	482	0	291	1289	0	0	3009	1611	4302	1597	6775	0	2431	2238	2458	5498	0	1827	3730	1775	1697	3017	4553	11680	10643	3633	0	0	0	0	0	0	1368	0	313	1294	0	2257	1153	0	0	0	2336	4273	2573	9685	5556	2452	7928	4827	3306	0	0	0	3723	2495	3498	3473	3410	5809	1346	2295	0	3164	3805	0	1883	9664	Organosulfur	0.4	1.0	0.0
12	C10 H10 O4 S1	227.03726	227.03752	-0.14812128	227.03722	6960	7409	7403	9449	18420	11744	3642	0	10113	8688	5389	0	19516	7354	3582	9684	3854	28279	16462	2536	4763	8241	3123	3698	3991	924	5039	0	3741	3120	3690	3132	5477	4405	4187	2547	9784	2137	6122	4536	4903	5709	589	321	289	3923	4474	449	5333	1973	6803	8197	13717	336	8064	7513	4454	11328	0	0	0	0	7351	4782	4170	17057	7072	6651	0	0	0	0	1119	1993	3897	2771	263	975	1872	0	2257	5115	4201	3184	8665	6549	7691	9381	10067	6012	17806	20239	4053	10623	11617	434	8365	7169	9803	11882	9765	7144	2748	4872	0	4782	12987	0	3419	17873	Organosulfur	0.4	1.0	0.0
10	C9 H10 O3 N2 S1	227.0485	227.04875	-0.06591637	227.04848	6887	5385	6112	4552	5455	4507	6156	5410	2711	0	1220	4365	2786	1318	4131	17039	11679	4785	4179	0	0	4432	4497	10092	3889	0	8921	0	4757	5599	5280	8284	11088	9074	2353	3778	11834	3520	16838	0	1041	3472	0	0	0	0	1855	0	9124	4876	5115	5802	6725	0	2398	906	2484	13566	0	2631	12580	0	0	2787	2278	4023	2590	21640	0	0	0	5309	5126	2292	9807	4862	0	4222	10180	0	4120	1331	2436	0	2098	4014	6846	8276	5008	18049	3055	2674	12892	2195	1762	0	3528	4857	3221	2690	917	6678	3084	2816	0	9043	3482	0	6181	3009	Peptide	0.33333334	1.1111112	0.22222222
6	C14 H10 O1 S1	227.0525	227.0529	0.5467258	227.05264	0	0	0	803	652	734	0	0	658	0	0	0	0	1454	0	2042	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1191	0	0	735	0	0	0	0	0	0	0	1657	0	0	0	0	0	0	1364	0	628	845	583	0	635	0	680	0	0	0	0	0	1235	0	0	1199	1572	0	0	0	0	0	893	0	25181	832	0	0	0	0	0	0	0	0	0	0	0	561	1373	0	0	1682	0	0	0	0	857	0	0	439	0	0	0	0	0	0	560	0	0	0	Organosulfur	0.071428575	0.71428573	0.0
16	C10 H10 O6	227.05501	227.05527	-0.14662755	227.05498	20389	15436	17719	18915	36691	30760	14004	12093	35272	4686	8091	14467	57037	30020	19610	12003	11113	44308	48763	5530	9943	14394	25382	14246	15022	2513	10570	4326	16476	12011	19517	11312	19218	7198	9761	12742	21812	16613	8912	6881	4059	16976	5386	5305	8673	7473	7450	7925	16815	10328	21937	18063	30344	5667	42221	26488	18918	16403	9094	6296	11041	5040	56985	33730	17637	44064	21507	11892	3266	4261	4289	12616	11046	12309	10388	13008	7215	13227	19231	7565	18301	10212	8248	5101	36107	20141	22202	17310	25770	0	7432	9898	0	9534	10763	7646	16382	19756	22331	32961	33052	16213	13004	6502	5114	13847	25050	6618	14201	57692	Phytochemical	0.6	1.0	0.0
12	C10 H10 O6	227.05501	227.05528	-0.11789862	227.055	42933	43949	42584	43800	104404	78643	27161	27513	118987	11537	15259	25443	164774	81935	29325	33258	26075	146277	131923	15926	15808	19439	44363	21851	21017	3480	33708	9475	23104	25960	28338	29824	44221	27561	24343	21237	41906	28010	25568	6699	6598	51936	6696	5253	7062	15270	14066	8076	29935	23899	43940	48002	87382	5890	118139	104848	51224	30460	10890	9843	26066	7204	178296	101402	36288	148007	56853	19080	0	5065	5522	20782	20411	20420	20464	26801	4713	28857	32285	0	33738	12738	9678	5842	85600	46685	39068	47205	63122	29944	23385	20851	26114	15307	11813	8228	48684	48267	72954	99297	88585	44554	24984	9473	0	33668	66235	6011	19614	211437	Phytochemical	0.6	1.0	0.0
2	C9 H10 O5 N2	227.06625	227.06662	-0.08851937	227.06622	3970	4508	3216	4691	10035	0	2445	3850	8461	1178	1232	3642	13636	5875	3939	1862	4638	11919	9326	1805	2156	4816	5086	4186	2380	447	0	0	5425	2844	4695	3890	8110	3482	3289	4768	6410	3134	3769	1703	1689	6126	328	298	364	2327	1277	339	4081	2500	4568	3820	7764	427	8013	5491	5417	5738	1368	1849	1999	452	16036	8455	4810	12938	7144	4849	861	957	922	4652	3986	3203	596	4319	405	2816	4610	0	3170	1266	1688	845	6768	4217	4398	12048	8519	8269	3202	2806	10355	815	442	480	4294	3328	5137	5338	6402	4421	4550	1830	805	5450	4474	442	3809	21141	Peptide	0.5555556	1.1111112	0.22222222
6	C9 H10 O5 N2	227.06625	227.06656	-0.12298907	227.06622	12382	13603	9551	13974	19336	14749	6456	11520	13583	4030	3156	10182	17768	10118	8994	16973	22301	28629	24096	2812	4815	12505	12186	15533	6741	472	7175	0	12553	8889	16003	15887	19379	15337	4305	11711	19418	9667	26237	1284	1647	15193	0	438	506	4381	3017	581	16791	9210	11560	11921	18873	719	14032	10008	9958	21612	3168	4436	17510	0	23802	13442	9034	23141	15777	25006	0	2439	0	11158	13503	8683	13767	11211	343	6461	8315	0	6793	2364	2519	0	12280	9084	9959	23550	19444	25521	4244	6333	23050	1333	1685	780	12809	10048	10599	9815	12281	18268	10843	5142	0	18859	11337	589	8110	36963	Peptide	0.5555556	1.1111112	0.22222222
8	C9 H10 O5 N2	227.06625	227.06654	-0.10482036	227.06622	16865	16054	13689	14756	17023	30457	11160	17524	19357	3266	4469	15888	19570	10224	15166	25226	31659	26837	28419	2968	3521	11043	17656	20336	12216	0	16631	5100	23302	17430	15621	16463	22897	15325	4999	13092	21456	14648	38897	2275	2190	27241	886	0	539	3384	0	389	21334	12535	10582	15362	22632	1007	14965	5338	11951	20006	3330	2965	18635	0	23713	19953	10696	21583	19002	35080	0	1341	0	20122	30487	12418	14209	13206	438	12216	13999	4995	10878	1403	3175	0	10964	9934	15935	27962	24734	31161	0	11649	30205	3492	2133	807	16651	14673	7288	9582	7193	21586	14356	3537	0	21506	8712	432	12529	37219	Peptide	0.5555556	1.1111112	0.22222222
10	C9 H10 O5 N2	227.06625	227.06651	-0.11638686	227.06622	7231	7588	5631	6783	9114	8509	5994	6928	8646	2071	3554	6704	11300	5369	6051	5616	15079	17796	12784	0	1954	6157	8967	8579	3575	0	5685	3766	4835	3671	5506	6991	12527	5323	1770	5162	9468	7675	15437	0	1318	7399	0	742	450	1972	0	478	7668	4798	4605	6023	8554	867	9707	3652	5761	8488	0	1730	0	1574	13153	7490	6303	14431	6156	11883	0	0	0	5036	4412	2799	6530	4875	0	5197	6902	0	5733	1338	2153	0	5876	5169	10350	10551	9177	15420	7835	11098	14116	2117	0	432	6171	5987	4030	5879	4722	8792	6682	2670	0	10377	5819	0	5039	22477	Peptide	0.5555556	1.1111112	0.22222222
18	C11 H14 O3 S1	227.07364	227.07388	-0.106334195	227.07362	6314	6359	3893	7040	6596	10502	2992	2211	5208	8944	6928	2365	7237	5326	3769	5641	5674	12420	7982	13266	10008	11515	3372	5476	8598	0	2598	13358	4206	1269	2216	3576	5794	5193	5785	4087	5003	4304	4956	5162	5440	6506	0	0	0	5571	9237	0	3512	1541	5486	7514	9140	0	2868	2227	3508	14645	8657	8804	4693	6245	4672	3040	4112	6951	6616	3568	0	0	0	0	1431	0	3325	0	0	1856	3165	16775	2103	7854	9149	4084	2743	3886	3744	5901	8641	0	49564	42952	2664	8812	20602	0	5336	4635	5527	3265	3964	4725	2106	12023	5491	3630	4327	0	5891	7326	Organosulfur	0.27272728	1.2727273	0.0
20	C11 H14 O3 S1	227.07364	227.07387	-0.008898543	227.07364	3363	2656	3331	2894	2426	6502	1195	0	1329	4702	4276	0	3917	5626	4437	3706	1805	5581	3687	5760	2569	6787	1323	3550	4258	0	0	2170	2487	1814	1340	2181	3030	1286	5676	2386	3369	1679	2517	2663	1531	2875	490	0	0	2779	4169	0	0	0	0	4194	2476	0	5056	2568	1895	4737	5136	2465	3937	3145	0	0	2649	5631	4667	2608	0	2544	0	0	0	0	0	1583	0	0	0	7027	1259	2245	5014	0	2758	1893	5103	2968	3583	0	30371	26725	3359	5480	5304	0	3953	2015	2358	1886	0	2263	1116	6955	4162	2663	2690	0	1386	1931	Organosulfur	0.27272728	1.2727273	0.0
10	C13 H10 O2 N2	227.0815	227.08177	-0.09490126	227.08148	12807	13666	9395	11783	10276	9965	10668	24347	7958	4776	4712	10844	4353	9568	9178	28156	20648	7569	14208	6379	4604	8255	9934	40458	14596	0	9724	4329	13936	11946	16005	12594	16375	15542	3059	10322	15489	13671	28787	3050	7669	6775	498	0	0	8344	7095	0	15769	16405	11984	12090	10361	0	4515	4270	5246	31888	0	2145	25215	1058	5348	3203	5521	8354	12504	29021	0	2054	2338	17390	12916	7232	12975	9869	0	10508	22395	12514	19633	2518	2071	2094	11252	6024	22035	16528	8842	74188	10335	3070	47190	7092	8116	451	12795	12002	9327	5646	3624	11605	9279	2869	0	30719	8582	0	15390	5313	Unclassified	0.15384616	0.7692308	0.15384616
12	C10 H14 O4 N2	227.10263	227.10289	-0.16876394	227.1026	22809	22352	21774	25704	10672	11037	25934	27703	9605	8611	6996	15141	7442	9662	20120	43404	30979	18171	13266	4497	5477	9110	19980	25580	18333	0	24719	8957	28263	31280	24639	49809	30387	26850	7662	37689	39757	16708	31807	3317	5099	18745	2094	3560	3417	8122	4050	3504	42080	23502	22855	25849	15131	3537	13897	5472	11811	36802	7654	0	35076	3058	10679	9604	9544	17046	17835	29548	0	3763	1472	23735	21589	29904	48692	40480	1878	17648	15495	15583	15346	7544	6222	2333	6783	10519	21362	20287	20210	31998	25624	17362	38775	6084	4732	3937	21840	21612	11183	8880	5749	37712	17718	0	0	24329	10905	3277	19916	16468	Peptide	0.4	1.4	0.2
24	C12 H18 O2 S1	227.11003	227.11017	-0.061420165	227.11002	0	1091	929	953	934	0	0	0	0	5073	1287	0	0	0	0	0	0	0	0	3130	1312	0	0	0	0	0	0	2617	0	0	0	0	0	0	3653	0	0	0	0	1718	1616	0	0	0	0	3548	3971	0	0	0	1419	1372	1002	0	0	0	0	0	1422	2338	0	964	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4171	0	2256	1360	1328	0	0	0	0	0	0	27759	24133	0	3871	4315	0	1632	1444	0	0	0	0	0	1838	3028	0	0	0	0	0	Organosulfur	0.16666667	1.5	0.0
20	C12 H18 O2 S1	227.11003	227.11024	-0.19155286	227.10999	2555	1504	2019	1895	1581	3075	0	0	0	6012	5089	0	0	2064	0	2512	0	3445	2410	6201	7009	4904	0	0	2343	0	0	5204	0	0	0	0	1597	5592	6255	0	1814	0	2203	2177	3856	1624	0	0	0	3035	7942	0	0	0	1788	1641	0	0	0	0	0	4393	2964	4577	2195	1218	0	0	0	2888	1757	2997	0	0	0	0	1333	0	1800	0	0	0	0	10694	0	4225	3708	0	1838	1414	2951	3037	1127	0	100971	35631	0	5218	8646	0	2865	0	1654	0	0	0	0	6791	3971	1572	0	0	0	0	Organosulfur	0.16666667	1.5	0.0
18	C12 H18 O2 S1	227.11003	227.11023	-0.17014234	227.10999	1737	1868	0	1835	1341	1766	1041	0	0	4766	1799	0	0	0	1353	0	1830	0	0	3616	4346	3071	0	0	0	0	0	4961	0	0	0	0	0	0	0	0	0	0	0	0	0	1047	0	0	0	1859	3555	0	0	0	2078	3099	0	0	0	0	0	1516	0	3874	0	0	0	0	0	0	0	2343	0	0	0	0	1596	0	0	0	0	0	0	7029	0	2424	2606	0	0	0	1455	1547	0	0	124336	31403	0	5608	5934	0	0	2704	0	0	0	0	0	2438	1805	0	0	0	2254	0	Organosulfur	0.16666667	1.5	0.0
22	C12 H18 O2 S1	227.11003	227.11024	-0.10633279	227.11	0	4473	3068	2311	3399	7932	0	0	0	4373	5985	0	2621	0	0	0	1521	8200	0	4318	6204	8490	1114	0	2505	0	0	7041	0	0	0	0	2031	2453	5178	1755	2458	0	1225	1776	0	2062	0	0	0	6510	8701	0	0	0	1581	3473	2070	0	0	0	0	2681	2893	6507	0	1394	1944	0	0	4751	3198	1353	0	0	0	0	1116	0	0	0	0	0	1231	9125	0	6731	3666	1446	0	1349	3971	4046	1698	3220	35437	32784	2741	7628	10473	0	1566	2385	1384	0	0	2933	0	4775	6803	1603	1252	0	2003	3556	Organosulfur	0.16666667	1.5	0.0
10	C14 H14 O1 N2	227.11789	227.11815	-0.15377851	227.11786	1737	1140	1984	1222	0	1212	0	1791	0	0	3525	2469	0	1591	2933	5179	1289	0	1085	0	0	0	1506	6295	4239	0	2234	3772	2880	2615	4671	1602	7375	2040	0	1623	8459	2748	2893	0	1721	2353	0	0	0	0	0	0	4330	1519	1419	2131	0	0	0	0	729	2665	0	0	0	0	0	0	0	0	2626	4599	0	0	0	2095	1011	1098	2472	1133	0	1434	1874	0	869	0	0	0	0	0	2136	5360	2442	24919	0	0	17937	0	0	0	1932	2254	0	0	0	6538	1235	0	0	7133	0	0	1641	0	Unclassified	0.071428575	1.0	0.14285715
16	C10 H19 O4 Na1	227.12538	227.12572	0.23710693	227.12543	383478	453304	426616	454772	495458	619820	1078487	459310	339695	232636	206537	248759	541014	2880918	399886	515612	379054	667788	654733	296984	253826	204587	309897	274951	410948	233560	917204	287464	659420	516473	508762	688308	713443	565491	238087	692643	661515	322134	395785	130791	158738	613593	228873	31563	35823	200541	156954	39635	728213	469293	487388	426225	487048	125677	405800	451746	396613	631746	187892	241830	662325	102090	726972	289536	1252422	685440	1390855	324974	108121	191648	168515	480955	629857	702885	402336	667491	29218	294996	242965	334205	165088	265378	1192262	2033215	375745	387727	397591	438303	577734	253078	432402	410575	362679	134206	201097	76116	429441	472853	439087	386716	536330	692319	240285	326366	137294	370757	393364	33427	325654	517134	Lipid	0.4	1.9	0.0
14	C11 H15 N4 Na1	227.12672	227.12715	0.25119466	227.12677	357425	380825	352018	366148	327170	467774	840296	371921	272235	189598	195373	228845	359437	1033645	286903	389526	503938	475255	416725	277856	245307	191462	221325	201231	318108	239302	846060	250416	567475	401114	358063	541208	565081	471997	249657	507004	546601	264667	551779	134869	170772	401713	162587	35814	29909	180136	164524	37151	518756	296856	350602	317804	361959	55674	330188	305751	290144	536668	190994	248289	412132	98056	470664	257713	803590	500013	663869	492520	95881	148368	158866	331080	426859	505765	469894	450244	25732	243052	204227	284815	159386	220868	1060120	1654073	371191	280539	354724	314493	439051	343641	371091	296095	275157	127274	208730	66300	350440	360731	309522	388571	446708	458618	232296	264993	133494	332938	289872	33503	257704	317159	Unclassified	0.0	1.3636364	0.36363637
14	C11 H18 O3 N2	227.13902	227.13927	-0.16115862	227.13898	4736	7645	8532	7171	5273	2777	11781	5717	1312	3044	3208	3963	1953	1926	4095	8841	10878	2950	0	4108	2956	9847	2715	10354	6436	0	8949	0	6122	7139	8180	13657	13726	10190	4345	8833	15105	4769	13371	2567	5127	5837	0	411	321	3180	0	421	11748	5306	6449	6866	3838	460	1781	845	5197	19354	0	0	0	0	2351	1813	1599	4047	4040	15853	0	0	0	5760	15093	24704	9296	11880	453	7415	4822	0	2989	2549	6365	0	1589	0	7957	6231	5523	12532	28850	18538	22420	3544	2996	705	5293	4655	2908	1843	1345	11844	5873	3748	0	10622	2606	0	6204	0	Peptide	0.27272728	1.6363636	0.18181819
12	C13 H22 O3	227.16417	227.16441	-0.17049167	227.16414	9086	11323	11958	12276	5582	5987	21797	6070	2518	1454	2428	3238	2937	12564	4403	18414	18228	2831	4516	2753	1403	4455	3175	4086	8755	3907	27909	0	7362	13111	7384	14633	8129	13471	1765	11001	8259	5587	12916	0	0	9736	2163	1664	1452	1447	0	1840	13752	8839	9230	12995	5497	1725	2153	4101	5831	14989	0	0	0	0	2360	1952	8311	7095	8451	15827	0	0	1947	7298	8820	17319	23793	9504	1366	2974	5255	0	3342	3370	26076	29301	11875	8498	8208	6115	5184	14498	12951	5885	5337	0	2995	1913	7752	13462	5548	8102	12298	12854	3269	4100	0	9069	8876	1424	5575	1191	Lipid	0.23076923	1.6923077	0.0
16	C13 H22 O3	227.16417	227.1644	-0.17335424	227.16414	20373	18670	21827	26501	18326	23205	65536	22076	5170	4607	7940	18444	17392	73682	15360	42613	65086	11042	13674	6315	5382	6962	12905	10268	21902	16900	77121	11748	29126	35927	25681	34854	25292	19989	6721	39518	23029	19834	58672	3011	3654	24217	17394	3566	3972	9301	9334	4294	33679	25833	19769	25852	15026	6819	2946	9388	20111	31992	2943	9527	30976	0	24661	3821	41453	23575	45922	50398	4910	4509	9031	20322	24540	52565	63535	33803	4065	12137	14435	26086	11221	10392	76522	112053	18153	30453	33304	17073	20604	36640	19328	14201	0	4515	4441	7612	22447	24033	16888	34716	54001	34608	9592	7735	3323	31065	24978	2813	17740	3885	Lipid	0.23076923	1.6923077	0.0
14	C13 H22 O3	227.16417	227.1644	-0.19501811	227.16412	16382	19828	18324	18551	15430	14482	53401	20010	3709	2541	5624	12352	7741	38068	15927	27269	52956	4992	10015	2601	3423	6311	10625	7565	12832	16504	50825	0	30328	31231	22242	41883	23954	19450	3200	35915	22627	12007	55299	1890	0	26578	3770	1997	1619	4000	7137	2305	28422	23963	24230	19706	9261	3325	2532	9837	22995	31851	0	0	21377	0	7219	1842	38186	11351	31399	61137	0	6130	4865	15850	26864	47071	43288	30650	1745	11718	13499	0	8288	9753	58629	81674	18977	34753	28213	14719	19187	44096	15232	8717	14647	3683	3558	2781	22126	16077	12952	20976	45307	23474	12056	6266	0	24297	34820	2044	17947	2131	Lipid	0.23076923	1.6923077	0.0
8	C12 H22 O2 N2	227.1754	227.1757	-0.10568424	227.17538	661641	499141	707271	666528	298169	144808	35706	345992	28777	45957	61507	34280	506906	336624	28719	15751	34105	207720	139913	13129	47834	9727	16764	11303	32386	154765	78712	178636	43320	298862	69802	605834	212303	15167	20130	26935	363307	85092	33613	4928	5121	235413	9385	709	1302	7962	9475	4689	33343	11827	570304	601276	135726	157854	60045	2222674	2135102	10891	3726	2817	10591	2666	50479	35144	15025218	320140	358374	39633	47717	33582	31902	121510	16135	140945	93442	64964	510	74543	6380	165363	4877	69003	31544	18665	0	35073842	9246	318317	130225	20679	364188	194165	40766	32907	20097	3604	594611	697814	1089535	2374605	17876224	85581	65867	22048	38544	11408	15923996	27048	16993	19920	Peptide	0.16666667	1.8333334	0.16666667
12	C12 H22 O2 N2	227.1754	227.17564	-0.075051114	227.17538	1967	0	2559	2651	1967	0	0	0	0	0	0	0	0	0	0	3549	0	0	0	0	0	0	0	0	0	841	0	0	0	1043	2623	1389	0	0	0	1407	2487	0	0	0	0	0	0	0	318	2655	0	0	1398	2313	2322	2634	964	591	1633	0	1378	1881	0	0	0	0	0	0	7411	1650	906	0	0	0	0	0	0	0	0	0	0	0	0	41412	0	871	0	0	1062	20958	2119	1154	0	5496	106782	50790	3938	0	0	0	2114	2928	1692	0	4331	0	0	0	0	0	8301	0	1479	0	Peptide	0.16666667	1.8333334	0.16666667
18	C12 H22 O2 N2	227.1754	227.17561	-0.11878097	227.17538	1752	4660	0	2635	0	0	1045	13113	0	15403	10925	2354	0	0	0	1940	4040	0	0	0	0	0	0	0	0	0	0	7142	6509	17084	5332	6428	4731	8957	28046	12747	2540	0	2881	0	0	0	0	0	513	0	0	523	3705	10044	0	2152	0	672	0	0	0	1424	0	0	2859	0	0	0	915	0	1780	2924	0	0	0	16734	25449	19330	15091	12756	654	2157	0	0	0	0	0	0	0	5568	1383	0	0	2633	6947	0	0	0	0	417	1975	3044	0	0	1761	10752	2431	0	0	0	1481	476	0	0	Peptide	0.16666667	1.8333334	0.16666667
6	C12 H22 O2 N2	227.1754	227.17572	-0.10412593	227.17538	392719	527313	328362	412547	180065	78493	45335	70273	36019	57554	26743	17853	199692	72609	13255	397312	44309	212246	87957	19804	17002	18496	8794	231993	21759	2704243	53681	66271	37688	317511	139356	368811	106945	33100	32865	38318	186663	366538	57548	35499	12797	124397	7038	424	323	13611	14988	1064	319724	33292	432767	480597	472491	11715	38106	479956	892746	378117	808	3801	339789	212105	111029	506870	3248421	248236	208868	60438	4464173	3439303	3996768	50343	32608	44892	41567	61862	539	40689	12667	69414	10050	36024	8314	11052	0	8739029	26457	279829	121139	65909	311581	138206	34988	17577	10390	1246	406698	434899	388878	1602348	4274443	45671	52463	361477	18150	25954	3242684	3700	25181	42060	Peptide	0.16666667	1.8333334	0.16666667
14	C12 H22 O2 N2	227.1754	227.17563	-0.23312177	227.17535	10310	12851	14137	15803	18832	13836	6197	2537	0	0	1681	4306	6496	33532	2044	10375	34409	18474	6284	0	0	0	0	4199	3339	19400	10921	9226	4166	5446	3900	9014	21354	9449	0	3068	25060	10380	29385	1389	0	8403	0	0	388	2888	0	0	7413	3684	11769	12434	13005	554	0	6983	25626	13330	0	0	0	2572	1828	4000	59129	14203	21015	36324	0	26663	42966	2894	2363	1507	6039	4152	404	2703	1717	14741	1499	5385	1784	0	3385	162033	2358	61607	11030	12450	86467	24800	7425	0	3465	0	13145	10821	3169	7195	30327	21376	3918	2538	0	18488	22654	356	5039	2526	Peptide	0.16666667	1.8333334	0.16666667
16	C12 H22 O2 N2	227.1754	227.17557	-0.2007367	227.17535	2871	4191	2585	1627	0	0	2907	3088	0	0	0	1046	0	6589	0	5195	3026	0	0	0	0	0	2433	4536	0	0	5810	3079	3066	4039	1947	6264	3965	8079	0	3465	4551	0	1933	0	0	0	757	343	547	0	0	0	4217	1918	2720	1748	0	806	0	0	1375	8372	0	0	0	0	0	0	2952	3257	2359	3743	0	0	0	5235	3524	2810	4373	4562	679	1675	3042	3993	2234	0	0	0	1986	7995	35633	3314	1757	27684	35008	8169	0	0	0	0	1640	1845	0	0	2845	4218	1237	0	0	0	1142	310	1831	0	Peptide	0.16666667	1.8333334	0.16666667
10	C12 H22 O2 N2	227.1754	227.17567	-0.22838531	227.17535	7365	6260	5769	5388	1328	2042	1807	1217	0	1176	4241	1003	1960	10914	858	4888	3965	2491	2510	0	0	3487	1106	4623	8147	0	2005	23954	2137	1382	0	4731	1688	6687	0	2933	2969	1168	3812	1802	1172	1725	683	0	293	2018	1505	0	2393	1049	5643	6210	2027	0	0	1791	1872	13286	0	0	0	0	1678	0	12997	1606	3046	5503	0	1318	0	1106	2438	1659	3047	1815	850	0	3256	124442	0	764	0	0	5139	46492	3161	2719	2701	17046	296844	130444	13835	9523	1924	0	6592	6289	1999	2459	14327	2559	1026	0	0	4481	15599	0	6024	1168	Peptide	0.16666667	1.8333334	0.16666667
8	C15 H23 Na1	227.17702	227.17738	0.014500882	227.17702	0	0	10653	3113	5880	0	0	3350	0	0	835	0	5022	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1930	0	0	667	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1542	0	0	0	0	0	0	0	3262	0	0	39239	289737	0	0	1225	0	0	0	0	0	0	0	0	0	0	14276	66574	0	0	0	0	0	15935	0	0	0	Lipid	0.0	1.5333333	0.0
6	C15 H23 Na1	227.17702	227.17725	-0.2696623	227.17696	0	883	4583	0	0	0	0	0	0	0	0	0	2208	762	0	0	0	0	0	0	0	0	0	0	0	49876	0	0	0	0	0	0	1297	0	0	0	1103	0	0	0	0	950	0	0	0	0	0	0	0	0	0	0	2514	0	0	0	2490	0	0	0	0	0	0	0	0	0	0	0	0	95241	45977	0	0	0	0	0	0	463	0	0	0	0	0	0	0	0	0	0	691	0	0	0	0	0	0	0	1041	2507	561	0	0	0	0	3320	0	0	13744	0	0	0	Lipid	0.0	1.5333333	0.0
20	C17 H22	227.17943	227.17966	-0.10768952	227.1794	10942	12045	12320	9255	6632	3560	21152	16261	5283	3623	5908	9955	4501	8652	13776	21014	29667	2832	10707	5255	7373	8844	8405	13875	14369	11379	20793	6672	15971	14575	9869	17220	12982	10376	5999	14703	8271	11041	32642	5510	16148	8802	472	0	0	4078	9096	0	12985	17413	12928	9213	8040	0	5677	6016	10640	21618	7552	16644	12178	3641	4405	5213	8443	8337	11483	28376	6194	6323	9368	8100	10424	13162	29938	19301	0	10240	18640	12465	13318	5819	15073	8668	11015	9302	22827	8108	7896	56474	14632	16229	22019	6432	10773	484	11593	16010	9700	12280	13118	15856	13270	9664	6381	13305	11124	0	17452	5096	Phytochemical	0.0	1.2941177	0.0
22	C17 H22	227.17943	227.17966	-0.13448067	227.1794	26770	28795	18816	23865	20854	12865	38586	33715	14942	10516	15049	21576	7571	16842	29486	43301	62204	12233	18363	18648	15760	24960	23474	28355	30624	23369	38789	17377	27722	30017	23943	26762	31109	20912	12228	38163	31148	26759	55794	13842	22067	20850	0	0	0	15813	23055	0	30044	35913	27819	26477	15934	647	13006	16690	18526	48855	11323	28164	37251	11466	12548	11790	18158	18607	21738	71142	13155	20712	26439	22122	19736	31077	48056	35365	392	16628	38764	25768	24492	21418	28382	27703	23929	22180	62913	18751	22856	104417	37123	26969	43745	18303	19868	0	24070	26853	19338	21937	22355	33352	23024	21102	16718	31861	21446	0	35992	13048	Phytochemical	0.0	1.2941177	0.0
18	C17 H22	227.17943	227.17967	-0.11441039	227.1794	4941	3510	1552	6226	0	2122	5538	5582	2814	0	1767	7211	0	4223	5178	7551	11118	2079	3074	0	2586	3327	2798	6308	3363	3577	8687	0	3314	5216	3690	4377	5996	0	0	5870	4394	3512	17372	1585	2605	2687	0	0	0	1439	2665	0	4820	6002	2540	4946	4317	235	1888	2352	3992	10387	2452	5137	3171	1525	2588	1886	4142	0	3894	12654	1256	2289	3610	2835	1471	6643	14970	4958	0	2657	6211	6027	4107	2811	5139	2641	4694	3764	7337	2449	2243	21438	6198	3956	7071	3989	3091	0	3282	3240	4604	6272	8525	4568	5396	1702	0	4341	2282	0	4528	1684	Phytochemical	0.0	1.2941177	0.0
4	C11 H22 O1 N4	227.18663	227.1869	-0.32440847	227.18657	2187	1111	894	909	0	0	2079	0	0	0	0	0	0	0	309	1798	0	0	0	0	0	7742	406	632	16359	0	2110	0	0	0	0	0	0	0	0	672	0	819	0	0	0	0	0	0	0	0	0	0	0	1118	945	763	0	0	0	0	0	1817	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	980	0	0	0	564	4737	0	13521	0	0	0	0	1472	3675	0	0	15944	0	0	52063	0	0	0	743	1270	0	0	0	0	0	0	0	1690	0	0	25302	0	Unclassified	0.09090909	2.0	0.36363637
22	C14 H26 O2	227.20056	227.20078	-0.08894159	227.20053	377545	397834	362235	412028	71385	1706043	2888134	76878	14777	217221	294135	72641	92690	4144879	110006	34829	132069	65535	946437	209353	135081	101154	53193	75784	53326	1030561	3226168	410294	62089	66964	34467	47781	56270	32065	82199	89887	84486	80316	136365	115698	254442	1533556	204668	111495	77002	182891	207107	95829	66086	76471	409222	402957	71071	91712	12725	1976796	2440484	88404	71300	306332	466013	202732	889167	23925	2858604	62902	1657820	184302	428452	427037	414479	48264	29675	81716	33465	92864	108790	44961	35987	401887	53140	374757	594069	1192368	18399	28420	30423	194198	830184	100122	180462	159455	152491	88645	131822	121019	401130	443600	2366945	14356	14617	78787	50328	320901	141727	40415	19968	104915	64310	321991	Lipid	0.14285715	1.8571428	0.0
4	C13 H26 O1 N2	227.21179	227.21213	-0.25287643	227.21173	1241	966	1005	845	5317	2467	0	722	466	0	0	0	6530	49722	235	1592	831	756	846	0	0	1802	335	2372	475	197	0	0	0	0	1401	0	0	0	0	0	0	247	896	0	0	447	0	0	0	1255	1095	0	0	0	1186	933	4940	0	278	2085	933	1134	0	0	1290	0	496	228	1851	1296	1676	0	0	0	0	0	415	0	0	251	0	0	1612	0	973	0	0	0	460	1105	2497	398	0	3985	50342	857	5992	0	0	0	911	1316	1587	1168	1703	0	0	0	0	1759	4053	0	1016	894	Unclassified	0.07692308	2.0	0.15384616
8	C9 H9 O6 N1	228.05026	228.05052	-0.15038002	228.05023	3926	5359	3375	3547	6952	9308	1879	2284	8242	0	1209	5791	11468	3474	3170	4393	6443	15065	11104	0	0	2286	6406	3989	1845	0	2811	0	2418	1651	3781	2581	4556	3740	1844	1776	5609	4334	9510	0	0	6370	0	382	689	0	0	413	3565	2599	3656	4878	7526	520	5594	4330	4621	4614	0	758	0	0	19006	10415	4663	13075	5993	7930	0	0	0	2924	2556	1345	3015	3697	362	2274	5342	0	2948	815	0	0	7154	0	4531	8483	9413	11483	0	0	4817	0	1198	396	3782	5635	4129	7161	4227	5260	4670	0	0	5692	3790	0	3114	24335	Phytochemical	0.6666667	1.0	0.11111111
6	C9 H9 O6 N1	228.05026	228.05055	-0.1571199	228.05023	4678	5121	4255	5600	10795	6352	1660	5379	10126	1966	1060	5173	11647	4753	3543	7760	4872	14142	11986	0	1444	5766	5962	8068	1480	0	1504	0	4537	3380	4886	4268	8296	4989	967	3881	4680	3933	6063	0	0	7726	0	273	421	1514	0	260	4183	3605	6035	7083	8479	548	7688	5917	4118	8469	0	0	8453	0	21542	5968	4012	14426	8006	6399	0	0	0	4103	4187	3496	3807	4722	283	2611	2483	0	2444	660	409	0	6203	2777	4226	11703	9598	11467	0	970	11768	0	0	414	5200	5104	4520	4115	6414	6372	3758	0	0	10039	4352	303	2376	22902	Phytochemical	0.6666667	1.0	0.11111111
14	C10 H13 O3 N1 S1	228.0689	228.06914	-0.13549647	228.06886	5202	6811	5410	4617	8118	2994	5667	3510	3883	5505	2572	3255	3951	4104	3674	4178	2815	9607	5790	1601	2393	4781	1562	3679	3687	0	4839	0	4287	3002	4392	0	6262	6548	2408	4910	11399	2275	3574	5888	8214	3163	0	1296	807	2886	8469	1277	6403	2464	5733	5215	5704	1143	2287	2597	2845	8727	0	7167	0	0	2919	1263	1616	5434	3658	4577	0	0	0	6595	2696	0	1713	2958	1102	2381	1774	0	1860	4210	4834	3080	4050	0	3023	10844	6504	6628	26188	19936	4195	3220	5936	908	6417	4725	4762	3884	2436	5769	3606	5448	0	7246	3319	1506	5449	3754	Organosulfur	0.3	1.3	0.1
10	C10 H13 O3 N1 S1	228.0689	228.06915	-0.18366936	228.06885	5868	6583	5285	7592	7534	11462	4437	5641	5149	5122	4394	2279	10218	2823	3675	5765	8834	19595	11032	4115	10041	8770	4687	7229	5669	1519	6401	3417	5628	3321	5061	7336	11660	5586	8469	4876	18528	2289	9043	9570	16413	4375	1612	1354	1433	11370	12938	1334	6818	3067	5912	5415	7650	1384	5079	4649	2233	9376	7526	9847	0	5141	4620	3505	1448	5209	5437	8357	0	0	3850	5527	4262	4381	3816	5661	1296	2824	4263	5697	4497	7199	8918	5450	3777	3938	4273	7390	7372	3969	17693	23567	4953	9994	16026	1390	4733	7960	3505	4437	2991	7463	3766	8023	0	5534	6188	1314	4500	7183	Organosulfur	0.3	1.3	0.1
12	C10 H13 O3 N1 S1	228.0689	228.06915	-0.16263747	228.06885	8409	12834	9099	13663	8534	8555	5980	3116	4145	9971	5509	3058	7130	2488	3567	12094	5486	11356	7947	11617	6340	14686	3616	9009	5300	0	11802	0	4759	4729	4312	9348	6592	10145	8466	7722	17672	2692	8721	7037	13042	4176	788	1511	985	9004	18426	1079	9227	3357	11153	9595	8812	1529	3358	3159	1834	9324	6442	11700	0	5441	2848	1231	1415	4372	3961	6595	0	2254	1877	7692	6581	4290	6228	4672	748	2622	3407	0	2722	9320	7830	4652	4790	4429	5481	9538	5966	3746	37828	27273	8095	7087	27885	1159	6506	8353	4624	2419	3083	12438	2740	17504	0	8292	6370	1449	5036	6791	Organosulfur	0.3	1.3	0.1
8	C12 H9 O2 N3	228.07675	228.07706	-0.08616394	228.07674	18844	21085	0	20171	5549	9879	27128	24572	4244	1596	2572	19973	842	4960	24081	54020	46229	3073	5207	1492	2253	8540	25330	99686	40685	585	35006	3873	22152	17331	30987	24087	42523	22301	1689	11738	33251	26791	57939	1263	2220	15744	0	0	0	13883	2124	0	43220	17334	19110	18348	15321	0	1439	601	5658	58310	0	1632	48242	0	0	3705	6074	7057	13358	83115	0	1302	2780	17751	10764	5032	24372	11555	0	17747	66377	7899	48125	1877	0	1820	1481	0	57692	37240	23437	106467	0	0	61448	1823	980	0	23393	21480	1983	0	0	66104	16888	0	0	68517	2815	0	59357	1073	Unclassified	0.16666667	0.75	0.25
0	C14 H13 N1 S1	228.08415	228.08464	0.113738835	228.08417	25790	21997	23911	22074	3668	0	0	3799	1287	4473	0	1746	6782	0	0	18956	0	4569	2619	2126	733	2571	0	26146	0	0	0	0	4295	11452	2842	12643	7654	121176	0	11846	11220	0	623	0	0	1757	0	0	0	4117	0	0	22170	15202	20918	22447	1971	0	1481	0	0	5498	513	0	26094	0	0	1200	0	8413	0	0	0	0	0	182425	79942	9804	2867	10335	0	0	0	0	0	0	0	0	0	0	0	69341	3920	0	0	0	4190	0	0	0	22120	20488	412	0	0	12236	0	8081	0	3914	0	0	0	7610	Organosulfur	0.0	0.9285714	0.071428575
0	C10 H13 O5 N1	228.08665	228.08705	-0.14073497	228.08662	8969	9238	6943	6832	16492	21085	3098	10234	10773	4321	2632	4022	18396	10584	4602	2661	3943	22017	16053	5300	8162	10260	5045	6103	4898	2779	2578	2254	15107	5202	10711	12146	19439	8382	7363	8846	12040	3952	4160	5016	2910	14948	3015	3257	4621	6419	2954	3025	10433	5647	6705	6274	15557	3049	11092	6213	3733	15488	4206	2129	6541	2886	27176	12829	3031	14369	20881	5558	3956	2282	2620	5993	13098	6377	2618	10571	3419	4535	3582	3048	3811	3787	3085	1779	4454	4675	3749	8672	17959	4408	6708	7603	10357	3280	3333	4120	7960	7698	5345	6392	5840	12119	4700	6447	3592	11215	5547	3567	3686	38373	Phytochemical	0.5	1.3	0.1
6	C9 H13 O4 N3	228.09789	228.09819	-0.15369762	228.09785	8393	10744	8625	9479	5697	2732	3653	4319	6279	1617	1501	3108	4565	1166	3610	11669	4640	11067	9082	1130	1744	49498	4006	7524	8065	0	4551	3428	3121	2994	3151	3833	5627	3391	2877	2367	7488	3578	7222	8898	9000	2804	0	0	0	8608	12000	0	3963	2785	8512	9346	4381	0	6948	3064	3742	23535	5563	6698	7995	3853	6071	4078	3067	4168	4624	8216	0	0	0	2377	2711	2212	2565	3357	0	2522	6377	14798	3217	7732	7846	5175	9130	3998	11591	5057	3801	110137	29663	35194	73356	16901	25212	0	8238	8150	3224	4339	5421	7128	3440	6365	11368	36216	5185	0	8577	10634	Peptide	0.44444445	1.4444444	0.33333334
2	C9 H13 O4 N3	228.09789	228.09824	-0.15281391	228.09785	13657	13692	9585	11752	14634	0	17391	10957	17422	4383	6302	11414	21157	4998	22146	2530	21995	26376	30936	3852	7500	18241	11683	9562	6846	497	1756	3749	8988	5090	26778	8265	48570	8601	8353	6946	16704	22578	22579	3523	5841	15163	329	0	0	4229	3894	0	9819	6238	12031	13481	18323	0	19144	8896	24458	14850	3578	7010	5408	3019	27201	22107	26002	22574	24326	43890	2295	1793	2341	7965	7951	4416	1686	6700	0	20542	16983	2312	8284	2673	2971	1348	15792	24656	15455	29008	26787	48644	6508	8992	40557	3615	861	0	12473	10780	12407	11277	10150	12932	14080	4745	3338	23748	10215	0	9775	34838	Peptide	0.44444445	1.4444444	0.33333334
10	C14 H13 O2 N1	228.1019	228.10217	-0.14253756	228.10187	8088	8675	7186	7431	6591	4392	5061	8832	3927	21412	23726	6419	2550	5210	5680	14570	10204	5894	9081	22295	21640	7989	6360	14021	4430	15912	5042	18302	10322	5920	4511	7416	11117	8062	14188	4830	10222	5207	10603	14356	10682	6314	668	0	526	5484	6718	0	10180	6628	7517	8411	6866	0	3399	1444	2841	13700	0	4378	11683	3755	2880	3572	3206	3976	8831	12127	7785	11064	12682	6429	4762	3605	6821	6041	0	5099	6576	8757	7564	2984	2122	10371	3437	2712	7659	8582	7596	22917	7966	2113	21443	6398	14219	544	8102	9963	4227	1948	2766	12200	4710	2671	0	10121	2310	492	6511	3735	Phytochemical	0.14285715	0.9285714	0.071428575
16	C14 H13 O2 N1	228.1019	228.10214	-0.08767029	228.10188	6689	4815	6814	6220	4073	0	5087	2806	2285	8307	17036	3360	2029	3151	3028	6276	6163	3346	2280	13296	15874	14322	2476	8482	2687	14736	3867	17333	2017	2526	5031	3872	4327	5058	11347	3430	6241	3489	7166	11205	24684	4480	929	564	446	8851	13433	921	5286	5171	7015	8666	5817	595	2008	2264	2918	8083	4404	8546	0	4723	3541	2419	1898	4522	2936	8168	8788	9241	20330	4712	3298	3245	3592	4260	433	2867	5326	15311	3659	7964	5149	12919	3667	1841	7088	3872	4765	0	9429	13078	0	19934	13833	738	7088	5731	1611	4066	4487	7331	2735	6062	3269	0	2816	471	5425	2979	Phytochemical	0.14285715	0.9285714	0.071428575
14	C14 H13 O2 N1	228.1019	228.10216	-0.10241385	228.10188	7514	8811	7645	6262	4449	2819	5765	7351	3663	17527	20074	3849	1998	3655	2705	8431	9644	6811	6145	9178	7684	10672	3250	13456	4321	10430	4231	17133	6198	5940	4898	7699	4722	6953	16794	4060	8731	4152	9583	8815	13604	5011	0	443	454	4010	5821	640	9107	6259	8894	8889	5555	749	2324	1218	2790	12085	0	7930	0	4688	1851	1530	2629	5239	5002	10573	0	9150	17156	5602	5835	5805	5583	6204	404	2159	6538	0	6951	5462	5799	8176	2189	4637	9219	8234	5417	23255	10005	8987	13936	12207	19839	601	7395	5763	2614	3256	2557	0	4814	6220	0	9818	1099	511	7108	1987	Phytochemical	0.14285715	0.9285714	0.071428575
2	C11 H17 O2 N1 S1	228.10527	228.10567	-0.0015371	228.10527	4167	5845	4285	4044	0	0	2458	3333	0	7854	4556	2930	2710	3215	3747	24266	5376	0	0	5552	8494	8236	3682	5098	7549	3285	3191	5105	3220	2730	2690	3599	3292	4186	9518	3411	0	3391	4109	8080	10063	0	1838	2561	3393	4918	10034	3388	2978	2782	4836	3936	0	2850	0	2327	2616	25746	3383	4018	19047	7252	0	0	0	0	0	4804	3708	4613	5151	3743	2771	2429	4273	3924	2690	2161	3506	0	3348	5899	4156	6837	2164	2292	3542	0	0	9795	15783	10252	4415	12439	6416	4871	4879	4167	0	2050	3007	0	0	5154	7069	20876	2549	3196	5740	0	Organosulfur	0.18181819	1.5454545	0.09090909
4	C13 H13 O1 N3	228.11314	228.11354	0.014847658	228.11314	1582	1066	1104	805	3573	1770	0	1295	0	0	2131	341	0	898	1198	1560	1405	1242	1790	924	1295	729	542	915	1287	0	0	4570	2033	1099	1220	967	725	1567	0	1210	912	591	1346	0	0	2549	0	0	0	0	0	0	1269	1460	1221	1568	3575	0	390	314	2378	857	0	0	1171	0	2097	0	4433	53820	46636	2304	0	0	0	766	612	0	1210	562	0	513	1082	0	683	0	0	0	0	1838	991	9018	2550	2504	0	0	2255	0	0	0	1957	932	0	0	1071	1159	0	0	0	1412	0	0	1169	0	Unclassified	0.07692308	1.0	0.23076923
18	C11 H17 O4 N1	228.12303	228.12328	0.016097868	228.12303	8765	8311	10511	11007	6315	11175	11774	11508	2955	0	1937	11908	7485	11771	15774	13314	15629	7435	7557	0	2087	5434	15685	11450	96544	0	10465	3497	13031	9383	6502	7569	10507	10340	2786	13368	9673	10875	14387	1817	0	9843	3778	4763	4781	3634	1810	5035	9135	7547	9215	11001	4929	4560	6013	3027	7271	24757	2777	4044	16195	0	2739	4425	9471	8956	5741	15546	1062	0	0	12097	11542	12543	24309	12793	3967	9148	29752	26653	6793	4061	3680	0	4085	4209	93292	8535	8349	30074	10882	8480	16966	3348	2543	4621	9290	10099	4072	2937	4999	11682	13266	4135	2340	12122	4584	4039	118705	4818	Lipid	0.36363637	1.5454545	0.09090909
12	C11 H17 O4 N1	228.12303	228.12334	-0.029178215	228.12303	118549	145138	126567	134981	97257	79957	111617	97169	81559	75798	59724	58691	88070	69344	82895	237370	111054	127588	131452	99977	77454	100915	70365	119511	114936	14643	142561	84326	137312	131842	97138	193215	161232	156147	83118	149830	186823	77025	128806	55735	73147	102861	6974	4104	4745	80370	88419	4974	183958	93965	134360	145474	105599	12766	110582	60543	58958	202914	62958	60583	196624	23660	77324	64671	57481	122377	82831	109823	0	34722	25004	101827	119365	122478	181110	139509	2699	67448	57318	65485	51764	58469	71696	36362	66771	71618	98020	94918	91501	91274	229025	186934	148077	46189	124885	6355	135379	127570	63164	65883	71588	238952	63523	112963	65092	103440	97561	4709	80668	122282	Lipid	0.36363637	1.5454545	0.09090909
20	C11 H17 O4 N1	228.12303	228.12329	0.039020337	228.12305	4755	5803	6845	4513	2498	2930	8233	6742	1253	0	0	4772	2793	23014	11456	9162	7402	5844	3404	0	2235	2469	7781	9887	51712	0	12317	0	6312	5781	5427	7941	6079	8174	0	4581	6321	8551	9344	1759	0	5527	3814	6896	6422	3071	1952	7203	7892	5273	5878	7205	3005	4677	3566	3580	3438	12296	2981	1612	9768	1384	2867	3586	4897	5943	4613	8848	0	0	0	4893	3465	4963	17669	5311	4997	4438	15361	4393	5021	2360	4297	0	1973	2172	25627	3854	6082	7397	8556	7728	18101	1561	0	5945	2687	4303	2172	2606	2549	6617	9228	2066	2115	8649	1532	7259	80733	2365	Lipid	0.36363637	1.5454545	0.09090909
2	C11 H17 O4 N1	228.12303	228.12343	-0.014853078	228.12303	132447	138067	114683	126508	365116	136270	34240	95273	289984	124263	83611	62437	513216	79747	47815	85464	162854	493348	423482	127746	342664	382930	94511	74227	40505	14898	20964	43775	155017	98377	115423	157035	246265	177255	367098	133208	211827	41656	191100	276744	108924	154148	3307	2141	2793	74432	58371	2615	184456	63424	127452	130929	365682	3167	302278	81929	52755	197145	47296	55501	105484	53320	504508	315718	54119	503368	184343	211530	32616	51688	52168	137411	159959	109210	30860	115292	1984	55347	47978	24391	65462	31288	30393	31816	157438	99850	60245	494012	534204	125353	216765	183907	331706	67313	67012	4328	124688	123029	82866	104456	89121	176576	59149	250934	41413	299142	161544	2743	31490	729810	Lipid	0.36363637	1.5454545	0.09090909
10	C11 H17 O4 N1	228.12303	228.12334	-0.048333317	228.12302	225365	197799	213626	193346	201419	195520	221653	244881	193344	193166	113248	145691	206541	141299	208276	340539	256384	337584	290281	289558	251692	209159	149073	169136	236657	45501	262692	132957	362605	256753	215796	331043	398272	346594	245600	320605	410600	168242	298164	180969	136391	208910	12483	4279	5135	183404	139381	4367	292663	193764	219833	205147	216407	8324	236040	118442	98014	385301	184568	145620	338326	104886	142931	149999	103060	234634	197356	271915	44712	95364	50674	251768	271123	272761	268302	253309	4017	150864	117049	126137	94208	141749	195783	116105	141895	175842	213145	201893	208244	190334	307111	354131	198544	147234	244459	5954	213306	231462	126757	136371	168077	375209	166432	249825	108901	208190	182411	4612	160381	230020	Lipid	0.36363637	1.5454545	0.09090909
16	C11 H17 O4 N1	228.12303	228.12332	0.035728026	228.12305	17492	16013	18238	13183	15889	21752	17867	24193	8374	4666	4863	14220	17375	23918	18878	29159	25300	27211	18422	3895	2740	12058	18853	22628	32584	0	13692	10015	23409	21911	27107	29102	28340	24367	3312	23334	26207	15332	17163	4337	2950	20857	3709	4017	5274	5059	4190	5383	26532	19537	17395	14825	17868	5140	6232	9297	10433	43949	7105	5872	31559	1629	14196	7460	13080	20168	15634	18305	0	0	0	23612	26271	32004	22934	24306	4550	13947	19730	33415	9905	7675	9292	2619	11009	11904	23679	17925	19197	0	23835	27505	0	10073	2508	4303	14195	12292	10053	9292	11378	27006	16548	7591	48770	20732	10811	4390	25774	18074	Lipid	0.36363637	1.5454545	0.09090909
8	C12 H13 N5	228.12437	228.12476	-0.612436	228.12424	210161	250358	192276	233628	202272	181067	226125	230773	210704	191363	120311	148946	247701	128898	173905	324940	362560	300397	300029	275065	241101	217801	131204	175622	167800	49599	222227	133331	310225	252678	220241	335379	332540	311352	274286	305397	399897	151323	420316	183280	199127	201172	6608	3187	4260	182886	214260	2914	316334	205810	208947	232692	209815	6708	254416	139865	122341	291784	159709	185515	236087	110176	177532	168835	99353	239202	201837	372842	49492	81004	78689	226891	267880	236803	271653	278118	2573	149892	118772	136069	88461	150671	188972	129972	154442	155054	175648	200032	214273	212605	215509	345143	193768	171835	245374	4380	222709	236587	148435	162246	184365	359721	141664	264087	82672	186860	202848	2860	156970	238188	Unclassified	0.0	1.0833334	0.41666666
16	C9 H17 N5 S1	228.12775	228.12813	0.10867038	228.12776	0	2574	1568	0	1618	3070	0	0	0	0	0	0	0	0	0	0	2209	14407	30137	0	0	0	0	0	0	0	0	0	0	0	0	0	2599	0	0	0	2826	0	3518	0	0	2133	0	0	0	0	0	0	0	0	0	1481	2742	0	14150	0	2297	0	0	0	0	0	6176	18351	9260	2212	2446	4129	0	0	0	0	0	0	1730	0	0	0	0	0	0	0	0	0	0	0	0	16651	7974	0	0	0	0	0	0	0	0	2188	0	0	0	6208	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.8888888	0.5555556
4	C10 H17 O3 N3	228.13426	228.13464	-0.06407993	228.13425	21392	22000	20042	22115	13397	10596	12904	22043	14107	7516	6692	11676	15169	5627	15353	28487	38260	20195	23140	9237	6865	41601	15281	25570	14661	2517	13248	7474	14552	12494	17978	20146	36408	17742	13131	15673	28139	15371	51180	6103	9830	12563	0	0	0	13041	10610	0	20925	16226	22281	18816	12916	0	18115	8210	8802	30315	6627	12552	24988	4703	17824	13379	8207	17841	11759	41731	3655	6165	10130	16232	13295	12657	18734	13629	0	14260	19531	20166	15722	7611	7726	3471	13642	11919	27711	16473	14584	111799	20546	17578	81230	9161	6821	0	19699	22450	10114	10070	11307	27925	16832	12022	8329	32058	12536	0	21664	21945	Peptide	0.3	1.7	0.3
6	C10 H17 O3 N3	228.13426	228.1346	-0.09205662	228.13425	7802	10601	10326	8387	3652	4566	8380	21507	3023	2657	3968	11645	2122	2570	8629	19504	16203	4095	7554	2313	2908	10210	6811	15241	5137	0	6222	9566	12110	10206	12532	14837	16033	14275	4317	13582	15367	8541	20318	0	2438	5501	0	0	0	4938	2698	0	17056	10683	10042	8724	4204	0	3729	1849	3102	17917	2035	4216	15116	0	2904	3358	2929	4331	7016	23072	0	0	0	11985	11864	11732	9906	11201	0	10867	8483	11256	7169	2634	2747	0	3205	3158	12641	7028	7977	37049	9790	5510	28011	3074	2430	0	9774	8555	1995	1950	3507	12610	10929	5942	0	15542	3871	0	8313	4939	Peptide	0.3	1.7	0.3
2	C10 H17 O3 N3	228.13426	228.13464	-0.071061596	228.13425	131657	141850	120160	132299	71086	56582	97196	179137	77291	85665	59061	108315	98942	23651	106995	114676	197177	114901	139605	94734	112964	166245	97379	120144	76057	16785	70204	70782	156730	128927	184117	159057	218710	148586	132074	148321	204691	106709	211326	95147	85324	106595	521	0	0	64756	70048	0	174752	95399	135059	133740	100356	0	102219	33986	76181	199663	27621	41866	118946	41823	99771	78073	73533	124905	118131	269962	27618	59706	50088	160739	158752	105161	119017	141748	0	95863	86897	100912	65730	33638	32621	28567	49202	99575	99322	111808	127495	305553	113984	114464	272179	65264	71787	0	131802	129665	46025	37836	36137	157992	101650	92406	39809	211803	38708	0	105727	133795	Peptide	0.3	1.7	0.3
22	C15 H17 O1 N1	228.13829	228.1386	0.048067212	228.1383	0	2125	0	0	0	0	0	0	0	0	4616	0	0	0	0	0	0	0	0	0	1807	0	0	1963	0	23177	0	2251	0	0	0	0	0	1366	0	0	0	0	1109	3946	6950	0	0	0	0	5522	8226	0	0	0	0	1330	0	0	0	0	0	0	0	2948	0	1421	0	0	0	0	0	0	10359	7443	14586	0	1067	1033	0	0	0	0	1249	4438	0	4083	1526	4141	0	0	0	0	0	1750	0	0	0	4325	2482	0	1676	0	0	0	0	1944	0	1791	3607	0	0	0	1211	0	Phytochemical	0.06666667	1.1333333	0.06666667
22	C12 H21 O3 N1	228.15942	228.15967	0.13007218	228.15945	1541	0	0	0	1811	0	1083	1810	0	0	0	0	0	0	0	9136	0	0	0	0	0	0	0	27769	0	0	0	1480	0	1270	0	0	1684	1172	0	0	0	0	1440	0	0	0	2573	0	460	3915	0	0	0	0	0	0	0	1077	0	0	0	8612	0	0	8418	0	0	0	0	0	0	2883	0	0	0	0	1559	0	0	0	626	0	0	2054	0	0	0	0	0	0	1539	1151	0	5263	0	0	3863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1175	1624	Lipid	0.25	1.75	0.083333336
4	C12 H21 O3 N1	228.15942	228.1598	-0.004335017	228.15942	85820	92521	85013	92088	36791	25181	47698	56791	31049	64986	22775	42951	41025	17184	32629	122204	49072	38614	46565	66653	67341	149945	39008	62786	58281	11802	42047	21991	54344	86609	69312	169585	86890	103460	97684	81591	71784	41676	61982	60522	62471	23034	828	353	282	53398	58751	333	134598	45429	90962	82938	38055	399	35988	17789	17383	205444	12657	29671	129811	32002	43586	28613	22616	46089	28856	52529	15965	34811	25046	115166	174034	77562	41804	175878	270	63381	68246	48517	28625	23434	28282	36545	28325	17342	242333	26180	34230	343025	239556	160292	196405	51768	91290	660	85886	90249	23244	24164	22824	67243	63073	71574	29211	82259	23390	0	73663	54645	Lipid	0.25	1.75	0.083333336
16	C12 H21 O3 N1	228.15942	228.15971	0.059033856	228.15944	9812	11152	15117	13728	8975	14942	26093	9106	1355	11194	6455	4075	3897	36091	5288	25414	22641	7432	4954	10528	9202	9567	5461	8296	9145	4517	22940	9916	13482	26118	13280	17768	21877	20691	10415	19470	12613	4923	16203	6874	6076	17978	6214	1082	937	10634	15769	2357	24839	23984	13871	14943	6944	10393	3408	8839	11355	23974	4949	21486	28030	2122	6872	1688	27685	20460	19220	20337	0	2334	1871	12914	21377	26325	27445	21540	1360	4640	5798	25457	7343	8849	18149	55481	3761	11521	15931	10435	6854	0	27586	18506	0	7206	18673	1982	15520	11402	9641	2491	8534	13812	5113	9054	12689	17193	7653	1370	11161	16980	Lipid	0.25	1.75	0.083333336
14	C12 H21 O3 N1	228.15942	228.1597	-0.017582543	228.15941	29143	27060	34027	33675	19106	33175	101985	21101	6374	26397	11090	14032	17457	147527	11991	42738	33834	18619	16789	16974	21528	13164	0	14633	23154	44394	92859	16647	21725	31149	18996	53048	29394	54240	14334	42785	26799	12706	35783	10081	13153	40277	15513	781	871	23045	22331	1773	41052	28913	29359	29310	10947	13499	8423	62534	56665	51154	10506	33168	42381	8014	28002	6105	173397	32699	56671	51396	0	22633	18179	27395	64710	52053	45199	58597	947	12802	36929	26148	23917	26707	63141	380964	6470	9492	91354	25676	22485	72459	35440	27869	40553	6338	32466	2828	29945	34215	62218	6399	12427	25009	15261	23427	0	47931	10899	1041	33237	39450	Lipid	0.25	1.75	0.083333336
12	C12 H21 O3 N1	228.15942	228.15971	-0.014764583	228.15942	21726	22938	22988	17383	9023	11415	32260	15010	5225	8365	7090	14776	4760	12057	7711	47182	42650	11378	4162	7856	6264	11971	7053	19333	11169	3436	25485	0	24602	35821	37094	40426	23263	33011	6918	37090	46570	6746	44918	4454	11051	11575	1789	0	585	8151	19255	627	42346	23234	20590	20526	8572	1369	4271	4514	5468	35847	0	7218	15620	0	4583	4236	7909	10219	11457	40684	0	5847	6341	24814	26836	50107	60816	32500	411	8338	5018	0	6696	8738	8389	7795	6278	7885	14310	10587	7932	20475	25521	18472	13925	4683	17335	744	21373	18095	3135	6723	14514	40161	11856	14337	0	23493	6535	523	13819	2697	Lipid	0.25	1.75	0.083333336
8	C12 H21 O3 N1	228.15942	228.15976	-0.031831414	228.15941	10920	11661	9819	10842	8951	5708	9454	9333	6018	12417	7274	7113	8627	4019	5841	11307	17219	8729	10399	13240	17188	11290	4890	10195	5336	8102	15659	7276	11564	9556	8833	12872	16612	11661	14709	10081	18615	5676	25063	8800	17672	7188	518	0	339	7228	13899	0	16978	7055	11947	12364	7640	378	6523	3676	4794	14110	3375	10277	9892	8251	6581	5019	5531	9603	8061	20774	7271	6018	9502	12034	14154	13001	12191	11197	302	6554	6406	7344	4718	7038	7801	9088	8017	5916	9724	7281	7992	18525	18924	14150	13036	10436	14334	0	11929	11793	5112	7790	7544	16670	6342	11922	0	9211	6833	0	5382	10373	Lipid	0.25	1.75	0.083333336
6	C12 H21 O3 N1	228.15942	228.15976	-0.06145551	228.15941	22791	24951	22333	25005	23254	13333	30587	20219	30239	26796	11777	15425	18712	16128	10569	25766	21960	23163	25381	26937	26878	32454	10270	24059	11887	11386	29460	11371	21100	20071	22089	23526	39348	20510	30793	18854	39726	10378	32775	18819	24132	11551	828	0	265	17534	25435	328	25602	17732	26658	24163	14970	395	20627	9282	7439	34885	3713	12624	24012	9462	28954	14051	11266	19720	14723	28382	9945	16896	21164	19676	18872	19107	16553	22978	261	13648	13504	10952	10757	9977	9466	17529	15906	8080	41639	11954	13335	43114	100233	54031	30022	16326	27441	0	22704	23564	13162	13693	13684	38722	12735	23768	8723	18780	15628	0	14776	58325	Lipid	0.25	1.75	0.083333336
2	C12 H21 O3 N1	228.15942	228.1598	-0.07610557	228.15941	236188	242580	200595	237279	107104	96076	108145	868814	89658	393302	93501	312722	128157	66195	272414	1106478	341166	136986	151156	224318	203599	404463	99423	272198	326306	29275	106550	70259	842466	285593	710752	241846	281646	196727	240932	642162	259534	214204	410614	184681	129474	92503	1584	371	346	143463	133536	413	414872	703316	227335	234478	108158	451	109639	44963	44801	579886	55992	79589	468269	68061	116348	85017	49205	135347	121740	240237	34582	99230	67027	379214	212685	623592	179304	437632	0	336470	140326	97409	54768	53060	75453	87042	68775	59023	373417	84813	135062	830299	490640	464762	522973	156037	281098	993	223903	226891	63461	64752	64996	226972	141189	506692	73291	257592	62409	0	378988	150197	Lipid	0.25	1.75	0.083333336
8	C11 H21 O2 N3	228.17065	228.17096	-0.021157285	228.17065	14229	16799	12280	14312	3137	4757	21459	37951	2405	1911	3143	16503	1328	6059	12645	78113	23869	3437	6897	3299	2213	6509	18055	70870	16381	0	20976	3815	26153	20979	38946	22262	26777	8402	3702	21767	27428	25879	28232	1843	820	20867	0	0	0	10170	0	0	27186	31119	12276	12642	5759	0	2350	0	17161	68472	0	0	51332	0	1640	4974	32730	2880	13347	35191	0	2022	0	4747	3540	9800	28766	20440	0	12414	21314	3478	14178	701	514	1248	1555	19073	24782	9588	23684	18341	0	0	21248	0	0	0	11799	11851	2242	0	0	25194	14186	2246	0	29551	2724	0	33231	4416	Peptide	0.18181819	1.9090909	0.27272728
10	C11 H21 O2 N3	228.17065	228.17096	0.003188564	228.17065	3794	3355	3642	2566	0	1240	6572	5182	0	0	1424	4683	0	0	2845	6404	10335	1432	1963	0	0	0	970	5342	3919	0	8555	0	4146	2784	6083	9318	62060	6968	0	4605	72018	2861	16265	0	0	6687	0	0	0	0	0	0	9772	2929	5286	4425	1916	0	0	0	3522	8700	0	0	0	0	0	2081	14820	1106	5719	15994	0	0	0	1548	4499	4821	4869	6054	0	2723	2311	0	0	0	0	0	0	12749	5273	17325	33549	4071	0	0	0	0	0	0	2667	4916	0	0	0	55661	2717	0	0	5489	0	0	4736	0	Peptide	0.18181819	1.9090909	0.27272728
6	C11 H21 O2 N3	228.17065	228.17097	-0.060441095	228.17064	13260	11431	12789	14872	3411	4933	13456	28394	5527	5239	3901	13960	1653	4204	20040	41492	35145	4190	9246	5308	5811	9017	12569	26637	32323	0	17756	11069	24725	16036	20830	22349	29307	15587	6005	21365	24870	16637	44256	3464	3014	9496	0	0	0	8323	3347	0	23938	16534	13120	13702	6209	0	3165	2310	6540	44162	0	0	26565	0	1197	3454	5365	4475	12072	45863	0	2129	0	7497	9635	10890	23523	16314	0	11419	15316	5485	11598	1012	820	1513	1909	15730	21656	10277	14877	48887	20225	5088	30463	3865	6063	0	14979	10788	3850	1195	1728	27867	10877	6044	0	25233	4136	0	36351	8721	Peptide	0.18181819	1.9090909	0.27272728
4	C11 H21 O2 N3	228.17065	228.17102	-0.05792	228.17064	99922	102021	103034	95994	3534	5424	230385	294790	5325	21342	20643	127655	11386	718	103721	141349	525276	7252	14975	20891	19850	17805	46472	87779	136270	448	275531	48087	124185	96443	138905	307918	817640	396330	25595	313790	588149	109225	423326	4158	4674	13509	0	0	0	19794	3552	0	85826	177456	104572	98384	7044	0	5593	1454	14685	145805	0	0	125111	3923	3046	6109	13032	14082	15156	464022	10418	16742	17274	145090	122512	175458	216194	100359	0	134063	21815	5877	27254	1624	2049	4772	3672	45079	47915	16198	33571	70111	18848	7971	71522	4130	5009	458	99725	115977	4368	2456	3581	494106	104129	10127	0	99695	3940	0	161033	37425	Peptide	0.18181819	1.9090909	0.27272728
2	C13 H25 O2 N1	228.1958	228.19617	-0.10655959	228.19579	11014	11209	8827	10756	2480	0	12902	19822	731	8243	6038	20456	3205	5985	6387	26206	7896	2065	4124	8063	5550	12001	4024	14053	13048	11842	21046	3387	7519	16545	17572	10258	15288	6409	7683	10041	17575	6400	9647	6826	5899	0	0	0	0	6184	5138	0	15544	27186	9329	11012	2305	0	940	1478	1140	15909	358	720	27157	3077	3270	1096	0	2855	4845	11671	9068	11896	10802	17649	10142	16498	13394	10329	0	19622	8989	4231	4012	2555	1869	5332	1684	1687	28603	2403	3823	21670	25063	11399	18526	4836	20352	0	9796	9462	1548	1255	1689	16399	18626	7695	2919	11781	907	0	11342	1701	Lipid	0.15384616	1.9230769	0.07692308
20	C13 H25 O2 N1	228.1958	228.19608	0.08035952	228.19583	147682	135118	146647	141350	5848	12541	599695	23033	121658	8591	344017	70508	11086	16699	153759	48083	293832	8099	20813	18223	12824	6993	0	17311	178897	466219	501670	401001	32061	43116	14473	16132	12452	17921	6060	26012	25426	227146	256510	10052	126739	343604	57296	56959	101119	37129	834598	116578	30012	65605	146226	116448	15998	137578	91942	141670	188139	14860	82155	124338	14392	147514	56787	46577	286611	47983	12770	466486	308498	58619	286268	66992	19998	29446	207430	28284	162726	32684	427046	403213	0	0	929878	1077697	299163	949285	311507	28514	25176	560176	23537	25430	25167	123241	28164	52207	135024	162468	236770	230478	489565	36411	55952	54567	401925	37778	532827	79158	235493	17466	Lipid	0.15384616	1.9230769	0.07692308
16	C13 H25 O2 N1	228.1958	228.19617	-0.006639664	228.1958	0	0	0	0	1510	0	0	31281	0	0	0	0	0	1765	5059	67436	7472	0	0	0	0	0	6644	77494	1314	0	0	0	24905	9546	4637	0	0	0	0	8205	0	0	2160	0	0	1271	0	0	0	0	0	0	1498	50370	1851	0	2238	0	0	0	0	0	0	0	12481	0	0	0	0	0	1262	0	0	0	0	0	0	52283	3988	3677	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3118	0	0	0	1702	0	0	0	0	0	0	0	0	Lipid	0.15384616	1.9230769	0.07692308
10	C13 H25 O2 N1	228.1958	228.1961	-0.031476576	228.1958	13485	9792	11143	9979	2192	4517	11657	4287	1396	5818	3180	3773	1470	1546	3198	10005	20165	10697	36230	7452	6077	5622	6834	3862	11111	0	10819	4552	12493	4864	5811	14298	50996	12021	12235	8040	42964	3934	22926	6552	2557	8887	0	0	0	10060	24805	0	9378	2432	11018	13342	14081	0	0	782	4923	17762	0	0	9170	2623	1403	2235	15488	7218	7878	26337	0	0	2640	3492	11768	5935	8670	11967	0	2179	35312	0	9955	0	0	5703	0	13576	58660	30838	86670	16180	28750	1999	13743	7674	13040	0	7921	9836	1436	0	0	42917	3965	4828	0	41902	0	0	14253	3882	Lipid	0.15384616	1.9230769	0.07692308
18	C13 H25 O2 N1	228.1958	228.19606	0.09437583	228.19583	351386	343268	347784	327134	0	1861	192156	1663302	0	22160	35574	193698	0	1418	354892	1444764	415417	0	0	8766	9679	119017	790986	2067352	132003	0	200175	37004	650447	1108869	1056059	332959	202060	239046	10561	438894	147391	402126	551768	2738	0	10965	833	648	515	301843	11893	604	801714	1181424	342348	331753	2821	685	0	0	15253	1264131	0	0	1543122	1050	0	0	9309	5233	14535	747824	10960	37425	15882	1450208	734417	1479067	457478	942087	859	233501	136547	22751	589525	5032	0	3809	0	12586	91035	27454	17841	898226	47005	0	755866	2713	6939	1955	324498	300509	0	0	0	167420	198609	2611	16151	818912	0	467	366910	0	Lipid	0.15384616	1.9230769	0.07692308
8	C13 H25 O2 N1	228.1958	228.19614	-0.025888976	228.1958	35805	49962	34455	42091	15262	8305	110893	57405	5814	17428	11274	35493	8774	14843	24762	179435	116828	4860	15463	12864	18119	4587	3444	1908	14510	871	119966	12656	52427	67277	78262	84501	546521	97743	27333	60304	563368	29303	144464	10794	3697	5307	0	0	0	9876	8219	0	33200	27031	50851	47455	14232	0	1501	754	6496	94927	0	0	128278	4213	4319	3899	11214	19073	11378	104956	0	4431	1683	65181	110663	88621	121877	104857	0	35512	6691	0	2008	939	0	13157	4110	10788	12862	16307	52720	4909	17153	0	10538	3726	7414	0	45534	42289	3823	1537	2807	508822	27322	6231	0	26881	2629	0	9852	7235	Lipid	0.15384616	1.9230769	0.07692308
6	C13 H25 O2 N1	228.1958	228.19614	-0.07523023	228.19579	8151	7255	6537	6403	11894	5787	9928	11513	3218	9444	3047	4638	9137	11117	4492	8483	4236	6009	7362	8445	4812	4678	2528	2794	10696	1311	9645	3792	10903	12135	14969	12247	29148	10672	7669	12222	33980	3358	5228	5505	2966	6011	0	0	0	3305	1586	0	11593	8381	7415	7260	8896	0	3376	1739	2020	12416	0	0	7222	2926	5291	2122	3987	9439	8912	4876	0	3076	3072	9874	12709	15971	5448	14498	0	5512	3505	0	1628	490	0	6260	1739	4001	7020	5658	15212	8378	9159	1930	15386	1869	3993	0	6557	7595	2466	2187	1795	24998	4334	3204	0	24262	2182	0	6340	7074	Lipid	0.15384616	1.9230769	0.07692308
6	C12 H25 O1 N3	228.20705	228.20735	-0.011039295	228.20703	0	0	0	0	1388	1211	0	0	0	0	0	0	0	20538	0	0	0	1131	1175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	646	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	679	440	0	0	0	0	0	0	0	0	0	7974	0	0	1553	1968	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	868	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4213	Unclassified	0.083333336	2.0833333	0.25
8	C14 H29 O1 N1	228.2322	228.23254	-0.001745377	228.2322	4131	3773	3497	2877	0	0	17106	4196	863	13038	31943	1767	0	1684	1142	0	1672	810	0	6173	5498	1848	1581	0	904	679	64569	31413	786	903	0	0	0	0	4188	1152	3484	2698	0	1264	1330	949	1124	1426	1704	3229	2839	1358	0	1243	1837	2811	1102	1818	939	968	857	3740	1733	905	45218	6228	22162	778	0	0	894	5202	33872	17593	2626	760	0	1414	0	1393	1791	992	0	51415	840	813	593	0	2702	8945	0	1760	913	0	0	0	2293	8638	3467	1627	3299	3548	0	916	0	0	1090	4307	0	0	0	1579	0	7257	Lipid	0.071428575	2.0714285	0.071428575
10	C14 H29 O1 N1	228.2322	228.2325	0.058406897	228.23221	14356	10265	7617	11272	2039	1539	56520	12082	1503	32966	98193	4489	1507	9473	3141	2104	7372	1628	0	18452	12127	2458	6065	1667	1641	1420	209140	110531	2650	2082	986	1879	1536	1067	7083	3327	9299	8573	1486	3203	0	1211	1841	1727	2043	4651	4032	2353	1439	2788	11440	11823	2487	1686	0	0	1225	8061	0	0	147764	0	89379	1010	6266	2489	0	14889	101673	53166	0	2410	1193	5316	0	6390	2025	884	1228	121142	0	0	0	0	7280	23583	0	4277	4991	2137	14122	0	12005	22569	7722	1947	10316	8361	1365	0	0	3333	2227	9415	0	4504	1657	2042	959	26650	Lipid	0.071428575	2.0714285	0.071428575
24	C14 H29 O1 N1	228.2322	228.2323	0.001889239	228.2322	0	0	0	0	0	848	0	1217	0	0	0	0	0	0	0	0	0	0	0	0	1844	0	1471	0	0	1974	0	1109	0	0	0	0	1435	1201	0	1288	0	926	0	0	1189	1179	2219	2319	5469	0	0	2835	0	0	0	0	1032	0	0	0	0	42116	972	1068	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1103	0	0	0	0	0	1062	0	0	0	0	0	0	922	0	0	0	0	0	0	3179	0	0	0	0	0	0	1038	0	0	0	0	2257	0	0	Lipid	0.071428575	2.0714285	0.071428575
20	C15 H33 N1	228.26857	228.26884	0.017651267	228.26859	2034	0	0	0	0	2891	0	0	0	0	0	0	0	0	0	5284	0	0	0	0	0	0	0	0	0	5872	0	1419	0	0	0	0	304050	0	0	0	20861	0	0	0	0	27117	0	698	1093	0	0	479	0	65479	0	0	0	15527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1151	0	0	0	0	0	0	37090	0	0	0	0	3035	0	0	0	0	0	0	3726	0	0	196906	0	0	4989	0	0	0	0	0	0	0	0	Lipid	0.0	2.2	0.06666667
0	C11 H9 O2 S1 Na1	229.02937	229.02989	0.76392716	229.02954	0	0	0	0	0	0	0	0	0	0	0	13339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1698	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16583	0	0	0	0	0	0	0	0	0	0	0	0	0	43446	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	173862	0	0	0	0	0	0	0	Organosulfur	0.18181819	0.8181818	0.0
16	C13 H8 O4	229.04953	229.04982	0.02648887	229.04955	21733	25017	22358	20057	30481	31657	21240	17894	32221	18096	13698	15174	34457	29985	22906	24418	14415	55701	65971	14135	16716	27967	25059	22117	16646	6394	16032	10184	15921	12377	17113	17925	28825	19136	22676	12551	29892	16402	17133	11544	6520	25520	3692	2809	4303	10000	8276	4219	21819	14566	19451	27891	33291	2837	31098	20912	22732	33036	6613	6237	18766	6436	35464	26670	14947	43305	27408	17015	4362	9057	9301	13491	20686	11694	14809	19633	3192	11484	27407	19103	20586	8745	9068	5482	30361	22329	23743	34650	35096	0	14177	12241	33870	14217	17081	5199	23378	15843	23310	22325	30324	24422	14798	7536	6463	24165	22688	2779	20543	49626	Phytochemical	0.30769232	0.61538464	0.0
12	C13 H8 O4	229.04953	229.04985	0.02119675	229.04955	18236	20466	15032	19698	23514	13546	15195	10279	23186	15775	8066	9810	28299	15486	14539	17027	12809	33571	38663	11377	15204	23085	17106	12435	13020	5798	12658	0	12512	10574	10826	10689	21779	9397	22023	9456	14021	13400	19773	10175	12983	14365	3011	2265	3168	8334	8557	3844	12285	7008	17628	17440	19656	2498	27263	19598	17317	18461	8752	0	16859	7777	33557	21736	11447	26361	15424	12224	0	6378	8569	9602	9757	7135	8993	13830	2130	11348	18312	0	18616	10405	5912	5261	21096	14713	24687	17567	24429	25427	7180	9864	22296	16665	17788	4515	14538	14151	22620	22089	22787	19598	15160	9852	0	12658	16515	2933	14312	30144	Phytochemical	0.30769232	0.61538464	0.0
18	C13 H8 O4	229.04953	229.0498	0.007983141	229.04953	16654	17738	21127	13626	25169	21934	67468	11984	23834	9895	15096	8118	37301	29530	17386	20866	18393	42742	40792	9189	5471	14678	19198	16501	12989	5037	70265	12106	14797	8522	11889	13497	30033	14917	13522	14249	26258	17308	14522	7696	8488	29808	3788	3452	4405	10906	6416	4665	20280	11861	16826	18736	24160	3700	23325	19391	16077	26783	4446	5506	23050	5478	21725	16972	15309	37965	24095	13995	6157	8415	8639	15767	12140	8710	10848	15797	3085	7333	24355	12750	18230	8547	8049	5246	23111	23598	24466	25851	28178	21748	13132	8006	25547	9687	7756	5941	16400	14394	22136	19995	20354	23039	14972	7611	4055	18170	14127	3306	22335	29210	Phytochemical	0.30769232	0.61538464	0.0
14	C13 H8 O4	229.04953	229.04984	0.06670832	229.04955	19963	21756	19821	19770	38052	23467	15422	14762	34645	18923	14647	17248	34427	20675	19675	19680	14799	51010	39858	15430	14249	25956	20536	14967	19411	8015	15839	9597	14186	10027	15418	13466	21552	11965	24498	10959	20330	18622	18895	15610	11477	24848	0	2169	3268	13125	7819	3538	15416	10571	18353	17434	29437	2415	29427	22979	21930	24476	10224	5137	21207	8800	43510	29174	18834	36715	25226	19345	0	10259	11432	9497	11269	9817	12727	13452	2640	12387	29680	15480	22427	9981	7909	7597	32371	17049	30833	27316	28025	26256	15638	15020	27467	19517	18786	4690	16259	22024	24628	25199	25071	20287	17245	13768	0	23524	18298	2730	18069	33633	Phytochemical	0.30769232	0.61538464	0.0
10	C13 H8 O4	229.04953	229.04985	0.059356924	229.04955	11465	12637	8162	10511	14136	9900	7454	6174	17767	6819	10136	7857	19559	8908	8508	10272	7012	19829	24117	9413	7886	18925	11209	8262	6454	3892	6889	5094	7876	6049	7848	6141	13076	5666	15721	6277	11036	8750	10395	7460	8992	11402	4054	2516	3849	5740	4915	4319	7953	5069	13296	13458	11845	2689	21777	16530	10150	12435	5614	5768	10921	5016	18749	15097	7315	15359	10401	8995	8380	7183	10111	5318	7178	5142	5941	9445	3252	5901	15627	0	13026	8228	4809	3698	17807	9637	13272	10733	13103	15296	8026	7017	13863	11713	12143	4682	10502	12069	14802	15685	13864	10674	10721	5788	0	7464	9953	3489	8297	20790	Phytochemical	0.30769232	0.61538464	0.0
4	C8 H13 O4 S1 Na1	229.0505	229.05081	-0.024909671	229.05049	0	0	0	0	0	0	11197	0	0	0	0	7099	0	0	0	0	0	0	0	0	0	0	0	0	0	0	161891	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3362	0	0	0	0	0	0	0	0	0	0	3514	0	0	5463	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	107194	0	0	0	0	0	0	0	Organosulfur	0.5	1.625	0.0
16	C10 H12 O4 S1	229.0529	229.05318	0.060589388	229.05292	3305	2181	2174	2013	9498	8884	2124	1952	4061	1612	0	0	11073	5220	1763	1634	1460	8022	3208	0	0	4842	0	2495	4016	0	1225	2672	0	0	1286	0	2490	0	4647	0	1969	1116	1952	2818	2162	2730	362	0	331	0	3482	0	0	0	3440	3114	4704	0	3299	2950	1477	5588	1788	2138	0	3089	4248	2305	1749	7216	3355	2043	0	0	0	0	0	0	0	0	0	0	1531	4149	0	1601	1192	0	2523	1720	3797	3738	4323	0	20107	13778	0	1679	4487	443	2469	2686	1962	2364	2597	2751	0	2560	0	0	2993	0	0	5470	Organosulfur	0.4	1.2	0.0
12	C10 H12 O4 S1	229.0529	229.05322	0.03014781	229.05292	5063	5459	7506	7230	10359	8976	2996	1479	6718	5429	5219	2094	12603	9953	2664	5599	2672	12498	13339	5000	4942	7635	2547	4427	8988	0	5728	0	2594	1587	2875	4366	10384	4074	4440	1422	5601	3077	3041	2745	0	4202	342	0	281	4884	6754	0	4498	2014	6604	4866	11289	0	5404	6256	3227	6624	4274	0	0	0	5853	4415	3654	6568	6632	0	0	0	0	1107	1320	2233	2704	1470	0	1346	5160	0	4560	4121	4253	932	6909	7228	8453	6173	5862	0	20920	21566	3852	6777	13624	0	5047	5648	6379	7536	7173	7838	1450	5936	0	5753	8619	0	5579	10003	Organosulfur	0.4	1.2	0.0
14	C10 H12 O4 S1	229.0529	229.05324	0.11333452	229.05293	4643	6065	5883	5128	16526	10496	1867	1939	8352	4725	4353	1100	17367	7662	3445	3951	3398	17024	7357	3946	4751	6392	2081	0	5428	0	2550	0	2336	1831	1333	0	5076	4249	8027	2238	5482	1292	4061	2945	0	4984	0	0	243	1756	0	0	1937	1811	3030	3705	11393	242	6102	4242	1802	3742	0	0	0	2004	5143	3733	2210	12200	5487	2196	0	0	0	1376	1247	0	2059	0	0	1132	3642	0	1294	3418	3079	0	6657	0	5645	5708	6230	0	18856	21409	2443	6644	11056	0	6812	4785	5117	4694	6496	4441	2156	8467	0	1882	6310	0	3817	10458	Organosulfur	0.4	1.2	0.0
26	C10 H12 O4 S1	229.0529	229.05298	0.025808452	229.05292	2041	0	2457	2990	0	0	5196	0	0	0	0	0	0	0	0	6786	19890	9614	0	0	0	0	0	0	0	0	5686	0	0	0	0	0	14306	2663	0	0	12388	2763	20157	0	0	0	0	0	0	0	0	0	2199	0	2699	2455	3215	0	0	0	0	7764	0	0	6070	0	0	0	0	1658	3154	23711	0	0	0	0	0	0	0	2304	0	0	0	0	0	0	0	0	0	0	6208	14443	3863	1613	2445	1665	0	0	0	0	4156	0	0	0	0	13310	2998	0	0	10336	0	0	4113	1920	Organosulfur	0.4	1.2	0.0
8	C9 H12 O3 N2 S1	229.06413	229.06448	0.06721346	229.06415	4405	3777	3805	3945	2337	2642	4190	6574	2239	1202	0	3469	2025	1572	4342	9011	7320	3982	4018	1744	964	2628	4475	35014	12846	0	4574	0	4634	4254	5230	3910	4938	4322	1170	4412	6506	2382	9244	0	688	1469	0	0	0	8214	1671	0	6675	3369	3067	3212	2312	0	1364	1244	1524	5164	1890	2949	8690	0	2199	1344	0	3725	2559	7271	0	0	0	5062	3481	2052	3696	2882	0	3082	6795	2784	13111	5332	2190	0	1406	0	4785	4563	2219	9871	0	0	10423	0	2225	0	4014	2519	1236	1150	0	4533	2752	3146	0	6893	0	0	15330	2479	Peptide	0.33333334	1.3333334	0.22222222
12	C10 H12 O6	229.07066	229.07097	0.028524922	229.07068	47545	60773	60950	59569	118471	100001	35102	40694	151738	14458	31453	33301	170307	100527	48298	43551	47450	174001	143979	29323	21870	31933	55838	31550	31828	4777	30844	14319	53941	40388	44236	50583	78216	46725	31006	47674	65632	41989	43597	10969	15750	80988	8686	7340	10616	16433	14437	9065	45677	36259	54661	56273	110450	7711	169201	78788	57763	46653	17301	21652	47744	14332	203278	135485	51379	175646	85148	41632	0	12347	10998	37983	40614	50943	36614	41306	5973	39900	36952	22938	34165	17797	18776	8780	86866	61483	50029	61151	89134	34677	30578	41636	39458	16140	14456	10051	56304	62539	89062	97757	97051	61435	39776	18477	0	45691	87502	6843	20465	239752	Phytochemical	0.6	1.2	0.0
6	C10 H12 O6	229.07066	229.07101	-0.030178696	229.07066	57797	66808	51066	58887	151795	87694	32635	41421	142969	21875	37218	34496	265229	103053	38501	47329	48078	216113	176920	22983	29168	28652	42817	35888	19985	4965	29061	27595	50192	42575	41319	43193	77214	51918	29493	43505	73981	37481	57390	11536	14631	77769	20763	6449	8934	23338	18971	7616	47307	35084	62387	56867	113638	8697	133840	124396	65670	51200	17947	19330	43838	6359	224610	112175	55675	197142	98184	65491	9272	8497	9269	41981	53383	47814	66142	43846	6234	29828	34652	25064	31923	16243	16340	8154	138925	73996	42632	81624	97220	34340	32479	39708	32241	25330	20087	10032	60734	60847	85423	162221	203606	83815	34896	25986	12238	36710	117148	7649	24295	264312	Phytochemical	0.6	1.2	0.0
14	C10 H12 O6	229.07066	229.07095	0.037658017	229.07068	39014	34244	29382	34380	66587	74045	30454	27023	90989	11043	16517	25453	99218	59329	41847	29442	29755	109116	83389	16225	18388	25149	46254	20391	26331	4182	20301	14224	35685	28378	28476	35007	54902	30292	19877	36857	48037	33183	31473	9358	7005	51054	6695	5954	8297	18151	10306	10180	33885	24893	36079	29045	63086	7175	90880	53598	38765	38631	19754	10387	26461	9200	98313	80280	37251	85376	60150	31435	0	7414	9106	27531	30877	36430	28591	31906	8755	32480	32815	0	29485	15296	17286	8375	57479	40922	35379	42895	63112	22012	22993	22072	38460	12972	10073	8466	38170	39074	47237	57434	67109	42021	32643	17614	0	34847	48511	9115	21742	104391	Phytochemical	0.6	1.2	0.0
10	C10 H12 O6	229.07066	229.07097	0.017281333	229.07066	91191	85128	87284	83356	245000	193817	46360	72223	290785	30618	37315	56456	380030	188583	81673	60042	62110	321310	288749	32701	37978	42550	108279	51630	47399	8374	47643	25248	87729	74170	72493	81425	117022	81010	39189	65127	120874	72087	71511	18717	21735	140131	12922	8133	11746	26295	15384	10407	71199	50581	93915	83542	204489	10339	285507	158384	92015	87738	28243	24840	81360	10153	307465	230957	99565	319962	152496	59471	10885	15399	11115	79421	79405	81985	58045	75468	9338	64677	59682	28400	53035	20584	26320	13248	211014	139800	80240	109870	151490	42118	33314	50042	59004	26738	21396	10485	92125	97238	154956	204348	219821	101324	67444	29960	0	60090	176001	8711	36289	375169	Phytochemical	0.6	1.2	0.0
4	C10 H12 O6	229.07066	229.07104	-0.034185134	229.07066	27552	32713	24164	30801	70519	37846	14059	22015	58293	9730	10363	15863	106700	47062	16513	21778	24897	80385	71831	13261	11006	17946	21392	18599	12552	5219	13420	8312	24733	17710	19289	22231	33216	24861	19119	21284	28827	15639	26340	10976	9763	33960	7193	4473	11307	17332	10439	7742	24818	15927	26538	23037	49219	7257	54575	64343	27401	26488	10628	8075	25195	5361	99293	53572	28887	81708	36561	25087	9532	6131	7641	23435	22661	26690	11031	23610	5594	16174	17647	6855	20347	13253	10683	6456	74269	33272	20110	33904	41368	17043	22677	15388	18180	8806	9172	13677	25192	33595	50443	105986	109688	26785	20937	16795	11826	19130	54049	6570	13466	104373	Phytochemical	0.6	1.2	0.0
6	C9 H12 O5 N2	229.0819	229.08226	0.03735227	229.08191	9540	10307	7650	8819	12051	9159	6833	9567	16206	2067	4329	7690	14841	6683	7660	12162	12896	20491	18924	3142	3378	8660	9970	7682	6099	0	6356	3393	10704	10053	9214	10134	13152	11185	4021	7087	13025	9638	15996	0	2977	11993	0	424	508	3791	3771	480	9817	9306	10235	10454	14029	1009	18084	8664	9402	11092	4059	4741	13713	1644	13678	9990	8513	15071	13405	18391	0	0	0	6663	7959	7486	5849	7077	499	4996	6566	0	5214	2811	3169	0	11856	9109	8649	14936	13430	19449	3958	6655	18076	3465	1474	607	9369	9028	8303	6781	7432	11069	7691	4777	0	14376	11704	464	5692	23619	Peptide	0.5555556	1.3333334	0.22222222
0	C9 H12 O5 N2	229.0819	229.08229	-0.08942719	229.08188	4217	4966	4083	4165	8075	18012	0	8756	4590	1116	0	3246	9763	4575	2171	0	1830	11707	7356	1836	3177	6430	3246	6485	3951	0	0	683	12702	0	6273	4139	16435	6514	2828	6157	8132	2051	1936	1375	0	6864	0	353	569	2574	0	468	8380	3466	3332	4945	10303	508	5321	2327	0	12564	1138	670	2855	0	15389	5809	2026	7593	16312	2467	643	0	0	4665	7331	0	0	5315	455	2603	2312	1029	2115	788	0	0	2583	0	2339	6430	10601	2996	3294	3555	5798	0	0	461	4491	3989	2073	1418	1641	6308	0	2535	0	10508	1876	311	1999	26651	Peptide	0.5555556	1.3333334	0.22222222
4	C9 H12 O5 N2	229.0819	229.08228	0.014590441	229.0819	10189	10559	9487	9102	14624	9739	5831	8286	17124	3650	4114	6874	15206	6311	7046	12496	28794	22293	17801	4243	4995	9188	9691	9000	4778	417	6859	3816	7493	7701	8516	10495	16956	7818	6165	8935	14012	7387	30597	2715	2803	13258	1047	581	699	4164	3227	712	10954	7949	13141	8903	14995	998	15918	9806	11112	12760	4442	4562	12011	1020	20063	12206	10479	15099	10887	24927	903	1432	1978	7280	8236	8810	7497	7583	330	6123	7204	0	5172	3629	3735	1028	12481	12670	7448	17198	15229	16479	4527	4880	13343	2718	2335	1368	9213	10307	13067	11380	12376	14615	6857	6301	0	11418	13487	724	6572	27515	Peptide	0.5555556	1.3333334	0.22222222
16	C14 H12 O3	229.08592	229.0862	1.36449E-4	229.08592	147671	167469	143248	148670	178891	124953	115776	132634	148149	153281	115518	100961	171784	118532	125406	167922	140457	225364	235776	200533	162094	177762	125525	166539	113051	119944	103836	96780	129456	115237	136651	144907	200130	112280	205491	126399	179554	106362	159015	153310	132563	133122	17899	13072	17259	109906	108464	17950	154950	118021	161299	161603	161506	13156	155371	113955	113943	197432	96132	101236	152160	92071	174699	125038	83522	202456	149210	140626	105702	161293	150470	118070	124606	110298	103980	143767	14331	91479	165544	131709	118814	101752	108522	102602	154745	108703	178346	160544	173025	206348	152193	148097	208945	111169	155035	18656	147666	152848	131431	140845	161333	178385	100532	115475	58647	141560	122713	13196	121009	191538	Phytochemical	0.21428572	0.85714287	0.0
12	C14 H12 O3	229.08592	229.08624	0.019360991	229.08592	94180	132955	102902	113304	87480	63173	80728	87081	93562	112983	93158	63415	81126	54692	78068	109686	94415	113575	145820	123521	138074	140565	90034	96321	70809	95910	92217	73040	85040	80918	87454	96327	111333	77948	148607	84196	103704	89209	111816	111952	123890	74013	12105	11059	12812	93861	88532	17109	97667	80855	111491	118682	83797	9915	112853	73324	76268	120408	70719	99092	95106	73346	135956	94775	50548	101745	74023	95987	88465	135147	151646	70146	84228	79521	87171	97037	9427	65912	99998	60966	101068	77809	83414	70678	93893	72559	111911	72459	89300	145911	97369	93011	123935	70956	111527	14978	119123	108276	87960	95890	87510	106938	78177	102624	58250	82374	80087	10323	68061	110669	Phytochemical	0.21428572	0.85714287	0.0
14	C14 H12 O3	229.08592	229.08621	0.012464641	229.08592	143141	140976	111038	129993	133888	102600	109049	115750	138815	149084	112055	94621	129901	85232	107399	146726	137652	169684	159512	162048	164510	158226	116378	117513	103704	127105	95882	97187	113518	109255	105966	124385	155694	95103	195315	103951	132284	105609	143097	133755	133522	109547	12410	11012	10947	101146	116294	15734	132839	100634	122357	128877	127738	8321	147487	100244	99435	164510	97279	93279	140616	89628	152130	133854	86690	144926	113957	135200	114414	169400	176149	94439	102933	97704	105535	114887	10658	79891	142341	110945	126382	102978	99066	99413	124459	95677	154143	114361	133950	188503	128465	114853	172001	102245	144214	16712	133802	128355	116977	137625	146545	130206	99341	125200	72465	125423	97604	10180	116226	127377	Phytochemical	0.21428572	0.85714287	0.0
20	C14 H12 O3	229.08592	229.08617	-0.002028769	229.08592	91043	96713	92048	81950	119945	98868	59715	99626	87650	86265	73380	59935	127777	99296	82852	107764	82023	155430	169289	117476	88321	118351	82547	119239	77596	73867	58295	80009	100220	91379	73256	87012	122906	92976	121091	89583	124952	64500	70341	91118	74444	109692	22828	16460	15793	86346	62866	20706	101732	70811	88584	91219	109127	14209	93012	78733	76291	120674	64946	52784	105238	48024	107544	88912	55945	140328	117529	73242	64308	83880	92298	81027	83539	77605	67656	96846	15366	64325	104635	88931	71798	57678	62114	58909	104119	71820	111143	110813	113740	115430	108248	90087	119314	71608	73349	22278	90535	92048	87655	90005	100285	119566	70232	88481	60502	101916	71831	19245	72152	135456	Phytochemical	0.21428572	0.85714287	0.0
18	C14 H12 O3	229.08592	229.08618	-2.60449E-4	229.08592	155272	151822	137107	126696	174676	131332	107092	139092	127464	147653	116476	85653	180218	129613	112865	179138	142956	236477	248784	160902	147130	159045	124167	152676	116078	103972	98139	116807	126921	123928	125657	138341	194362	134101	164817	128504	205567	98869	143954	126747	115554	143928	19460	11809	16252	112469	83550	16702	142837	117487	142552	140288	156114	13062	154659	120132	113017	181924	89873	86944	165001	74726	184054	124258	87244	184591	174719	139434	86963	119281	127910	109343	100223	113182	101834	137452	12740	86901	155635	119716	127169	97496	85516	82154	149751	132285	161406	169269	176578	175689	158180	143553	222495	92057	133529	20043	133706	140572	141809	133033	143417	171600	98228	130841	61281	140953	102480	13312	130646	174326	Phytochemical	0.21428572	0.85714287	0.0
10	C14 H12 O3	229.08592	229.08623	-0.001594637	229.08592	79686	72396	64176	66439	62534	46410	55183	72746	69337	72111	57079	55645	65549	40555	55855	86600	71952	72342	81618	80836	82963	83695	62364	90039	48467	77348	53672	45685	57489	60493	57011	74206	82570	47777	97296	61472	78144	56426	78762	71569	79991	48254	16534	11913	14331	68627	63113	16860	68466	57495	68582	76634	56805	10836	88045	55902	42884	86801	51530	56309	82099	46344	65703	62349	36623	66945	40424	77512	78609	83167	104633	50490	54361	53654	66323	68989	13682	49382	79095	47447	80009	60622	64129	44866	73251	45296	73584	52498	55845	82159	63123	64099	83059	48910	70398	16900	70159	69185	61493	77838	69544	65149	63324	66948	34350	56401	52481	11661	56666	60763	Phytochemical	0.21428572	0.85714287	0.0
20	C11 H16 O3 S1	229.0893	229.08955	0.06811619	229.08931	0	0	0	1963	2115	2888	1351	0	0	0	0	0	0	2029	0	2646	0	4566	1843	2717	0	3701	1179	0	2560	0	1875	1692	0	1420	2212	0	2074	2234	0	0	0	0	0	1447	0	1961	0	0	0	1648	2820	0	0	0	1684	0	2061	0	2407	0	0	1523	2552	2754	2297	1260	0	0	0	0	3365	1235	0	0	0	0	0	0	0	0	0	0	1470	3188	1703	0	3046	0	0	0	1458	2558	1844	0	21855	16524	3427	1803	2878	0	0	0	0	0	0	1843	0	3216	1710	0	2752	0	0	0	Organosulfur	0.27272728	1.4545455	0.0
18	C11 H16 O3 S1	229.0893	229.08955	-0.013288906	229.0893	1864	4330	5631	2214	6145	8352	2588	0	0	5445	3112	1264	3102	4737	2014	6321	4143	7966	2805	6461	5530	3684	2885	3702	5604	0	2014	4094	0	2186	0	0	2427	0	6433	2573	6728	2316	3746	1882	2176	4965	0	0	0	4709	7139	0	1705	0	2754	3696	4727	0	1705	0	1407	5946	3941	5884	3916	1010	2215	0	2319	5666	6473	4937	0	0	0	1660	1853	0	1395	0	0	0	0	6681	0	6713	5351	1757	0	1943	5203	6738	5712	3859	40765	24386	0	5869	12863	0	3594	2543	2323	1492	0	4483	1184	5768	2937	4738	1907	0	4179	3914	Organosulfur	0.27272728	1.4545455	0.0
16	C11 H16 O3 S1	229.0893	229.08952	-0.002233005	229.0893	3243	6394	3244	4745	5582	9027	3155	1808	2003	3847	3648	0	5551	4342	3927	5335	4849	7831	7194	3912	5912	4862	1628	2326	4409	0	5713	5307	0	2229	1716	0	4386	5045	2537	1676	3584	2692	5126	1723	0	5159	0	0	0	4001	6092	0	4465	0	5100	4167	5966	0	0	2124	1295	5470	2467	5688	0	1248	0	0	3239	7801	7358	2783	0	0	0	2227	3070	2569	0	3394	0	2178	1833	4744	1951	5143	3560	1959	2117	4176	5448	5899	6823	0	69190	46262	0	6875	9720	0	4787	3639	2984	2250	1757	5637	0	6041	3498	0	3105	0	3319	3737	Organosulfur	0.27272728	1.4545455	0.0
8	C13 H12 O2 N2	229.09715	229.0975	-0.038285486	229.09715	10036	12652	8705	12306	5167	10481	9597	13481	3679	17828	17364	8846	2662	4480	8951	22710	17093	6317	8867	14140	15438	12892	9187	19956	12984	13519	12826	14099	9985	11395	12258	13976	16565	9881	15825	11046	18838	9328	21367	8727	17153	9618	0	0	255	8874	10937	0	16559	11630	13487	11256	6376	642	4655	1860	5569	15268	1426	8234	17958	5012	4425	4684	4649	4596	7254	22296	11249	15660	16527	10335	12631	7294	10883	9731	271	9526	14470	11258	12409	5151	3441	9249	3592	4486	13844	10528	8127	40730	0	0	32174	10470	17018	0	11410	11609	4886	3113	2896	17304	7287	7854	0	15924	3087	0	13856	4945	Peptide	0.15384616	0.9230769	0.15384616
6	C13 H12 O2 N2	229.09715	229.0975	-0.002028191	229.09715	10506	11884	10881	11478	5281	5567	7587	12051	5550	22820	31708	6696	3015	4183	9627	17237	10927	6870	8400	20450	21995	14084	8588	17763	10901	10538	10004	22097	10638	9289	10463	11051	15609	9421	19776	7533	14797	10346	16170	11356	16033	8318	0	269	0	14256	15355	362	12840	9907	13007	12378	7225	386	5289	2251	4298	14311	1341	5544	17483	6336	3486	2390	4700	4696	6991	17272	7297	13621	15104	10039	7196	7600	9873	9582	0	6584	11126	13846	10925	4076	3366	15346	4632	4296	13288	9447	8613	28709	15494	5072	22519	14046	23257	0	12062	12030	3857	3509	4765	15402	7823	6852	0	17539	2241	0	9856	3371	Peptide	0.15384616	0.9230769	0.15384616
14	C13 H12 O2 N2	229.09715	229.09744	0.04945478	229.09717	12722	9135	8082	10009	5384	3584	10650	11711	2689	7528	9502	10182	3104	2947	6377	19821	24252	4612	9157	7337	7090	17573	6927	21853	12767	3303	10562	7773	8712	9296	10430	8642	12360	10141	9162	5800	14078	9668	28397	6403	12144	8042	0	466	398	7200	10438	545	8668	13577	9025	11506	8388	396	0	1591	3720	20904	0	10460	0	2952	3545	2806	4902	3933	6492	26520	0	6328	11606	8821	5255	5941	11754	9208	325	6333	16127	0	13239	5783	7766	10155	4468	3041	18255	11000	8186	69582	11992	9562	40335	13600	11961	578	11798	8899	1918	3080	2011	16278	9285	6332	0	20124	2799	447	14030	3942	Peptide	0.15384616	0.9230769	0.15384616
4	C13 H12 O2 N2	229.09715	229.09755	0.04040261	229.09717	9150	11288	11494	9641	4823	5994	6406	11545	4313	16212	16904	7459	3245	3190	8841	18922	12280	7410	9567	15638	16184	12941	9401	19130	16005	14259	6565	24755	11539	8030	7704	8900	12229	8619	13853	9025	11504	7294	11358	10660	11108	9673	0	253	369	9813	12945	390	10985	10369	11489	8464	9045	0	5198	2304	4756	14702	1226	3752	15612	6431	3717	3742	3090	5755	6346	15047	10283	16475	16803	9044	6883	8105	10212	7696	0	7649	13460	17354	9188	4753	3150	9894	3564	4395	14035	11926	8806	27558	11797	5499	33591	9803	16204	622	8823	11051	4280	3799	3581	11454	6677	7318	6593	14873	3055	0	10205	3839	Peptide	0.15384616	0.9230769	0.15384616
16	C13 H12 O2 N2	229.09715	229.09743	0.107531205	229.09718	7945	6251	4767	4788	2584	2621	7876	8291	1684	4201	6232	6298	0	1085	5373	8082	13230	4671	4430	3383	5427	12677	5906	10544	10852	1272	6636	4316	8018	6628	6797	11138	7854	5151	2823	9022	14369	5416	18945	2622	2750	2434	681	576	349	4125	2942	741	9407	6302	6176	5156	3871	489	2137	0	3474	10512	0	6949	10704	0	1936	0	2006	3809	4781	22882	0	2225	3826	3975	6870	3920	8939	6720	366	6237	10324	7852	8130	2455	1126	3919	0	2671	11717	6986	4606	40165	6836	3811	0	6130	4859	399	5315	6273	2213	0	1567	4820	3715	2819	0	13989	1187	399	12616	3140	Peptide	0.15384616	0.9230769	0.15384616
10	C13 H12 O2 N2	229.09715	229.09746	0.054535143	229.09717	32170	30740	38104	18552	38650	39574	24460	23714	13820	28304	35336	18668	27804	19862	17318	54150	34998	18834	24904	27770	33176	39398	21318	47098	22574	23408	62510	23418	20758	19718	28010	31310	59272	24998	35744	25564	45906	18062	49388	31680	35694	38758	1414	1058	0	32512	26778	0	32532	23758	33056	34548	31284	3860	18749	29904	13724	53586	5626	31646	44816	14966	13814	11936	18124	26856	37692	54452	23490	82430	60320	22082	17680	15786	25458	21710	0	15260	36006	46182	34362	43298	15100	17684	30740	18608	29656	37058	17738	72120	80740	26922	57308	30124	33924	1382	40768	26446	122626	28530	37439	36346	18870	40328	0	46106	56064	1754	29126	17373	Peptide	0.15384616	0.9230769	0.15384616
12	C13 H12 O2 N2	229.09715	229.09746	0.01997985	229.09715	4405	8565	7211	7092	3750	3103	4721	4941	2054	13183	7278	4064	1488	1968	0	11326	11196	4112	3581	11172	13754	12793	4481	9271	5491	7684	6031	11045	5730	5709	3244	5342	8477	6267	11212	6658	8787	5794	12444	8109	16577	5045	820	0	481	7335	9866	673	9413	5409	4868	6333	5448	614	2425	0	3146	11981	0	0	0	4463	5471	2088	2602	5003	2930	15358	0	7128	17991	6491	4254	4190	8462	6584	312	4944	7692	0	6990	8686	4169	7369	3183	1701	9161	8968	5343	25175	14402	9537	19474	12471	21611	439	6442	4328	1563	1804	2267	5852	3573	4749	0	11965	2554	458	8920	2628	Peptide	0.15384616	0.9230769	0.15384616
28	C16 H13 Na1	229.09877	229.0991	0.30402595	229.09885	1471	0	1551	1435	0	0	0	0	0	0	0	0	0	13707	0	0	22060	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10424	0	29780	0	0	0	0	0	210790	0	0	0	1420	1245	0	0	0	0	0	0	0	25423	0	0	0	0	0	0	0	6571	0	0	29084	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21040	0	0	0	0	0	0	1242	2286	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0	0.8125	0.0
8	C10 H16 O2 N2 S1	229.10052	229.10065	-0.225413	229.10048	0	1488	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2971	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7226	0	0	0	0	0	0	0	0	0	0	64375	22448	0	2748	0	0	0	1061	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2	1.6	0.2
4	C11 H16 O5	229.10706	229.10742	-0.09063922	229.10703	70356	74864	69320	81108	108866	56876	61698	76424	46058	19425	22128	52358	105714	41912	48726	72544	101150	61757	114610	24865	22260	71610	49158	63990	42200	8494	30086	13188	40540	65602	75720	38455	103290	68164	31274	82794	93908	53136	101078	21083	39682	82718	7874	8455	13526	34392	25214	11382	42885	60588	77718	32314	86462	9159	50765	96080	64724	45171	50876	52716	78934	12111	125550	43168	24083	100604	67640	99896	14854	11725	13631	67086	84178	92302	25218	84668	6545	25822	49186	10886	48246	22132	69778	18783	112224	68228	55624	69006	91146	70152	41796	48542	72886	17651	20627	19154	67336	87860	83788	165374	183502	95408	62898	35544	23762	62484	99700	10580	42336	62247	Lipid	0.45454547	1.4545455	0.0
18	C11 H16 O5	229.10706	229.10732	-0.005439159	229.10706	47735	48910	55530	54833	62871	56163	50276	58473	56304	41427	23528	35501	88194	65403	60307	46303	39539	92001	92642	39183	30370	41152	49641	48856	47954	14882	41798	35538	63661	51118	53199	71441	90610	64686	43025	58675	80584	45524	42471	31226	16661	57730	17614	11407	18494	30956	18479	14947	70618	39983	55844	51321	57275	19310	109798	50133	41313	70206	31930	18083	54126	22397	71339	67176	41327	86326	69388	39922	10495	16856	16788	55818	57596	66307	37773	60907	13675	42359	53681	22076	38854	24460	43613	28298	51309	40591	56504	40837	61042	34776	51144	61345	54267	13967	20677	16104	52266	50040	48267	59045	54409	72804	38077	42592	18031	42454	42098	13347	40041	74898	Lipid	0.45454547	1.4545455	0.0
14	C11 H16 O5	229.10706	229.10735	-0.019539347	229.10704	164510	150552	151738	162010	295058	286952	171077	164573	318225	66329	61355	91511	411991	365131	170807	162371	155664	420337	338243	101849	76436	68674	132096	78619	168772	22994	150745	120297	268282	199952	181253	248641	319402	238893	97361	248169	273241	133274	160576	50251	34674	225667	30997	17960	23510	68096	36775	22080	216747	122260	169275	155516	287442	28534	372245	198079	144586	237217	80212	50368	184554	24710	300784	242160	169477	353970	298323	124467	17562	44129	26560	163677	228392	251304	153174	194174	11464	124953	88619	82211	79734	55739	112752	66357	234598	183265	138108	166403	252020	91840	115911	97449	112808	48452	48397	43423	157988	186551	180440	283778	307283	274717	118930	119174	27449	128483	225795	22055	108633	329378	Lipid	0.45454547	1.4545455	0.0
8	C11 H16 O5	229.10706	229.10738	-0.06993395	229.10704	149273	164363	115225	171300	538856	168061	176392	138560	394144	71650	61378	104994	718120	277041	122801	185677	414130	628182	625726	110797	86648	84269	104427	82637	86857	39375	301462	75946	223758	173852	135255	223419	847590	425724	96499	212462	541420	108549	444480	42611	51188	366752	22306	9122	12321	90580	66499	10301	231135	138053	153283	157372	404190	13162	494726	173147	130923	171796	74798	72693	169044	32062	270581	376894	160234	276669	445736	369176	35627	42810	47158	138205	204821	203969	190498	411514	8591	117153	93588	94038	70861	74299	231388	149082	256851	158306	131366	291394	405126	234094	84346	112226	185994	63050	55720	16219	154986	177019	158481	330115	385310	582638	130456	124402	34615	219450	228337	9290	183122	548298	Lipid	0.45454547	1.4545455	0.0
10	C12 H12 O1 N4	229.10838	229.1087	-0.21182048	229.10834	464412	412167	424822	412551	626765	489778	542281	534723	445592	146345	139098	348609	745422	761636	399378	578095	528937	880792	730212	272219	203215	146775	291323	211786	396663	85755	501010	224079	834656	632311	502623	787009	1334533	763599	200794	822622	1108284	321440	585303	76625	76768	516575	82359	20103	21659	160971	97575	16824	700696	425943	460078	429699	532327	31287	528219	341673	278382	725143	159417	129032	645996	44687	541058	400859	377962	741182	633193	561447	49690	110800	73173	521133	640746	706698	682415	603481	13102	377862	216629	178028	176417	145604	564542	357051	581007	429847	346019	453803	564042	264102	238461	223892	207659	92657	113665	43087	414475	471364	339384	638422	779171	1199581	355502	266528	86443	351289	467556	18393	278581	622835	Unclassified	0.083333336	1.0	0.33333334
6	C10 H16 O4 N2	229.11829	229.11862	-0.06914916	229.11827	104869	112149	98059	110232	97051	90655	69055	103984	113366	30263	49351	51309	108697	74406	87579	173831	96245	247500	157996	33380	34806	85072	83041	137406	66999	3317	60115	111317	104333	78882	101313	113310	148346	125966	68152	106447	134936	71784	136593	21334	25585	112760	4363	1171	1157	51461	40240	1046	109045	72540	112790	103384	108540	8599	137970	47721	56752	168388	33962	38225	156116	12081	167642	78941	47907	124396	90803	137451	9256	18109	17850	103960	89506	86620	55157	71849	1277	52111	83250	186139	50880	32969	33284	10093	70735	87764	101690	128376	101368	180498	549828	310583	195561	67471	42945	1820	108746	108593	416674	40932	71373	140413	75073	71802	21208	133173	106977	1297	65230	178289	Peptide	0.4	1.6	0.2
14	C10 H16 O4 N2	229.11829	229.11855	0.019042479	229.11829	10083	13144	7475	9315	6285	6177	13868	10747	2465	2516	4458	8376	1954	6602	11814	9981	5667	4920	2647	0	0	8916	8767	10499	9113	0	11599	40063	12155	15247	14536	11877	11300	16720	2468	16375	11800	7749	7441	0	0	9566	0	1342	1245	4011	0	1525	10919	7935	8144	7195	5380	1712	2426	1348	7220	16069	0	0	0	0	1676	3026	4248	6423	5503	8477	0	0	0	14740	16698	14806	8233	13116	1065	7827	6250	0	6213	1943	3283	0	3157	3667	7590	11263	9562	9969	107073	34695	11437	3280	0	1820	9250	8520	1912	3432	3040	7098	14265	0	0	10169	2911	1503	9991	2735	Peptide	0.4	1.6	0.2
10	C10 H16 O4 N2	229.11829	229.11858	0.001696193	229.11829	22078	21114	17087	14386	9133	12794	11907	15807	12561	4533	8337	13324	16375	6763	14579	22721	16255	16213	13347	4745	6652	15155	13099	21957	13707	0	13822	49308	16664	13576	14083	19705	21949	19142	5062	15548	20113	14623	21213	3473	3539	13752	1871	1422	2178	7218	4476	1929	17956	10750	19397	19261	12926	1614	16180	7869	7443	21858	5899	5963	17158	1932	10235	7986	7018	16449	8295	23879	0	2638	2499	21240	15344	13944	17367	14625	1936	10512	11276	173025	10837	7558	6486	1821	11261	8859	18307	14412	14547	28623	309812	120806	24642	19568	9060	2088	21271	17765	9244	6947	7950	17769	14004	5619	0	15599	12952	1540	12970	18145	Peptide	0.4	1.6	0.2
12	C10 H16 O4 N2	229.11829	229.11856	0.02744813	229.11829	8954	11588	14202	11183	5271	6260	12593	8210	6343	0	4864	8275	5442	5546	9180	16466	11210	10195	8338	3847	2052	13092	7750	12624	10442	0	7644	39226	15549	9697	12266	13830	13067	14137	2999	9352	11459	8555	12230	1198	0	7959	1365	1574	1173	3801	0	1423	13098	9429	10146	14033	7469	1482	5409	2531	4752	14837	0	0	15890	0	7454	5049	5165	8739	5310	12194	0	1435	0	14405	13120	13765	9486	11908	1142	7797	7541	62014	7726	3120	2381	0	5152	4581	12270	7297	7736	18023	143248	65867	21133	5944	1643	1324	9363	12019	4447	3827	4105	10595	11280	0	0	13866	4926	1422	11270	8570	Peptide	0.4	1.6	0.2
4	C10 H16 O4 N2	229.11829	229.11865	-0.05675	229.11827	159768	181109	166241	163501	64298	52329	33943	49224	72914	202769	425444	37795	79057	71023	38019	69161	101939	105595	79884	25474	22097	163560	42112	59659	32397	3057	36368	768119	44519	36376	50708	53355	65883	50675	49644	50488	69124	43266	124031	17151	21658	47973	14288	1397	1191	67470	33201	1182	57824	43862	172188	136124	57387	1816	77021	52876	47893	68293	32841	39381	68064	10989	80759	59230	42503	79021	41954	105396	6617	8078	7513	49063	43837	45940	38687	41806	743	34251	46180	764723	35892	43211	27537	7651	61251	57744	49996	68397	56836	102189	3854032	1744866	102509	369408	538681	2996	176191	172675	55621	48242	53857	59003	43700	34970	29747	58398	72371	1391	41351	112931	Peptide	0.4	1.6	0.2
16	C10 H16 O4 N2	229.11829	229.11848	0.04884663	229.1183	0	3262	1649	3140	1405	2714	3150	6763	0	0	0	2210	0	2047	3681	4650	3566	0	2129	0	0	1747	2317	2991	2700	0	2799	18042	2211	3167	4109	0	3170	3523	0	1517	2663	1936	4017	0	0	1848	1282	1802	2016	0	0	2004	3241	2898	3548	2848	1800	1223	2261	3450	1860	3357	0	1425	0	0	0	0	2365	1617	1451	3198	0	0	0	5145	3309	3989	2775	2267	1468	1906	2469	6923	1524	1825	1562	0	0	2161	1778	4207	2953	0	43690	21699	0	1396	0	1997	3052	2454	1216	0	0	3321	5082	0	0	0	1613	1997	3487	2021	Peptide	0.4	1.6	0.2
8	C10 H16 O4 N2	229.11829	229.1186	-0.032400995	229.11827	37572	44387	31584	41195	28995	28356	23925	37347	29293	16529	18636	24968	33548	21693	34389	46571	39542	47575	46366	15169	15739	34115	31139	47623	28999	2167	28213	44900	36709	27809	31206	39546	44013	40072	19220	34898	47358	31102	51079	12227	10054	26039	2734	951	1080	20087	14222	1200	35665	28521	36616	34117	28119	2743	43091	19316	21333	47917	16135	14249	43465	6837	29252	27403	20538	38436	27385	48768	4550	8106	5811	42575	36477	31015	28570	28974	880	20523	33197	89106	21976	13021	16792	5843	22543	22657	36318	32431	28865	62109	265166	156089	65673	23125	17740	1416	42872	35499	21602	19866	25227	48561	25780	18844	0	34922	30152	1041	30589	44995	Peptide	0.4	1.6	0.2
2	C10 H16 O4 N2	229.11829	229.11867	-0.049540747	229.11827	97224	104072	82193	94409	168404	113473	50760	85442	142775	28043	72320	63808	182394	66748	59231	38569	115432	207359	178401	24702	37393	92920	68623	86904	38755	2396	19793	129958	99448	63066	93690	85843	151698	129086	41507	76118	126163	55225	129992	22656	19447	118581	3464	975	964	33388	23245	1190	102959	53186	94256	98168	158506	1510	154359	76125	73535	124118	27606	36047	51417	9102	224892	140120	83020	216615	139801	135353	5753	10409	9064	115158	109354	68100	20933	75550	1025	49852	54832	182873	44463	18752	18666	6248	108615	76905	61698	179971	159389	139623	283402	239057	164275	78903	13944	2281	95131	97334	98693	87459	87090	105404	66913	45070	18431	125493	99529	994	48494	291215	Peptide	0.4	1.6	0.2
18	C10 H16 O4 N2	229.11829	229.11845	0.10044957	229.1183	0	2049	0	2165	0	0	0	2377	0	0	0	1513	0	0	2293	2071	2757	0	0	0	0	0	3042	3503	0	0	0	11270	0	0	2386	0	0	0	0	0	2275	1109	2856	0	0	2178	1779	1972	2132	0	0	2197	0	0	2069	2147	0	1791	0	0	1570	1807	0	0	2006	0	0	0	0	0	0	2616	0	0	0	2379	2264	0	0	0	1745	0	0	2613	1268	0	0	0	1338	0	0	1603	1743	2185	23576	9031	0	0	0	2580	1638	3193	1288	0	0	0	2314	0	0	2442	0	1701	1197	0	Peptide	0.4	1.6	0.2
18	C15 H16 O2	229.1223	229.12256	-0.03813215	229.1223	371214	415233	351507	323620	368233	236597	324585	424284	236936	333066	290862	259227	348395	249486	331747	512709	450184	347094	420745	484411	458238	393619	325818	424624	293056	349352	335669	281273	382526	369920	350506	391972	514871	357601	360088	364528	453813	290122	497422	319389	348586	310434	21403	9324	10801	254389	251637	14096	427390	339220	386189	406059	313886	10500	333569	281399	242803	549551	228616	281673	436770	216544	312794	250878	206676	362974	321768	499798	271076	381207	408421	325049	283030	348183	395541	404262	9990	229640	398898	294041	313408	237932	286016	232301	343601	268967	424965	334140	337087	656084	440692	416346	657749	235941	365995	16733	375690	330388	281492	384405	426713	450189	261806	374968	142225	372245	227225	11371	351540	284075	Phytochemical	0.13333334	1.0666667	0.0
24	C15 H16 O2	229.1223	229.12254	-0.006306574	229.1223	147247	154978	125481	137598	179293	124000	95513	173626	116926	132962	105307	113818	167299	132167	155593	193604	144499	161562	194717	181168	152083	148093	143214	187589	143666	102723	88191	124625	151754	161581	132076	172480	186471	153185	150480	177205	199406	121303	146116	111793	103575	143454	17326	11765	18263	123080	80339	15764	179532	154365	130403	141539	154635	15086	143364	112246	95801	215388	111767	80498	197444	76584	131750	116604	75756	164366	155702	143769	89325	117352	116004	145159	138290	140802	105795	163060	14575	123251	142993	98489	121154	92114	96285	89246	127854	92625	162204	128316	139084	204963	176639	157558	279681	98746	138598	17083	138351	150690	114668	133873	127324	202224	106492	158213	83941	172901	107710	13954	140383	140777	Phytochemical	0.13333334	1.0666667	0.0
14	C15 H16 O2	229.1223	229.12259	-0.060909476	229.1223	259848	297853	238246	268224	221177	147248	255662	265069	197225	198120	168241	195925	205807	139993	206511	323065	352382	208673	226316	288691	286147	304118	215036	235357	214374	324163	256335	171235	219943	250603	220202	275842	294243	211644	271164	251121	251756	208914	384872	231825	287114	178723	13269	9352	9299	197307	228373	14034	271670	227005	268596	237868	189838	8974	215587	200274	179674	373145	204602	231102	284759	129283	203490	188888	134590	204619	182923	362759	244594	310010	401542	205720	216307	247562	287030	291210	7330	180809	285650	181639	252440	184109	247253	210314	241081	151318	308288	174655	216259	533807	280701	217843	395453	168316	230882	14463	252451	248186	167044	351727	351487	254366	211826	252800	129062	283004	183560	10029	242818	170716	Phytochemical	0.13333334	1.0666667	0.0
20	C15 H16 O2	229.1223	229.12254	-0.033867247	229.1223	363386	438487	366917	314366	550279	280399	272645	389553	280031	372814	293266	268309	358865	338006	335673	543768	414329	397790	416266	487633	454709	419248	295968	439382	314389	297809	295492	312790	407845	372871	309338	375916	471979	392281	399917	345871	446956	287121	408662	316094	331539	333006	30807	15605	13257	282943	282015	20250	402952	311691	371454	383533	333321	14445	295846	299304	248736	541340	266019	293307	464437	195234	334756	283198	214390	387651	348381	433696	213673	307499	358287	324157	342550	331821	386101	385302	12838	242194	389741	340081	289784	199583	306932	247510	327890	246399	442783	334905	328495	689007	508604	431844	671180	305059	327859	22811	368042	383712	300553	389862	436765	470449	287359	417945	197888	397492	301753	17395	361890	355924	Phytochemical	0.13333334	1.0666667	0.0
16	C15 H16 O2	229.1223	229.12257	-0.052530408	229.1223	327090	355868	295045	327273	293896	211340	312631	349359	231416	271735	239509	239186	269562	202812	291405	446070	444250	316051	366991	385152	378954	372306	306694	353337	258266	350245	303590	201747	299051	320095	326575	348868	401106	277055	336033	339093	392500	260842	475453	307611	332874	232183	19182	10404	11135	236293	263876	15324	401345	332486	331779	346768	287443	9748	247953	244688	216659	506279	203327	299032	363888	177727	295972	219508	168087	310177	258811	419094	284342	392755	420364	288953	295021	301978	400488	374949	9249	218529	368024	282786	285735	230338	301427	245393	327963	211944	397982	264828	293555	630987	351883	322614	498790	223055	337904	16333	315921	323691	241327	363331	404022	408999	226163	298098	144888	369337	245441	9704	332741	268583	Phytochemical	0.13333334	1.0666667	0.0
22	C15 H16 O2	229.1223	229.12254	-0.03365711	229.1223	280509	310452	237197	282119	436742	265618	190683	349271	227776	268116	231706	210447	233136	252375	266242	460243	289072	348557	285927	347304	317404	368315	283539	392835	301479	171844	191478	257401	341394	301030	278733	318563	375775	350364	291374	330823	392667	229383	269583	238359	220993	274899	31712	16588	14367	234932	207750	17083	331489	284383	286197	282581	306587	16013	252295	219069	198813	480705	187219	187873	458775	156180	242184	201390	166279	320104	310778	276465	132654	225211	207849	297602	254589	236934	212890	298740	11852	204390	278072	233981	226221	195569	213180	166883	248063	213667	339316	286634	270752	594090	411095	351876	675652	202288	312182	25790	252835	296760	276375	293859	260287	397593	227284	331916	175231	384076	228792	18423	268544	294206	Phytochemical	0.13333334	1.0666667	0.0
22	C12 H20 O2 S1	229.12567	229.12592	0.21806177	229.12573	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1748	0	0	0	1522	0	0	0	0	0	0	0	0	0	0	0	0	0	1028	0	0	0	1364	1731	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1429	0	1470	0	0	0	0	0	0	0	0	27710	8338	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.16666667	1.6666666	0.0
24	C12 H20 O2 S1	229.12567	229.12587	0.012749602	229.12569	0	1545	0	0	0	0	0	1406	0	0	0	0	0	0	0	0	0	0	0	0	2241	0	0	4010	0	0	0	1812	0	0	0	0	1089	0	0	0	0	0	0	0	0	0	0	0	0	1546	0	0	0	0	0	0	0	0	0	0	0	0	883	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1128	0	29676	15082	1996	0	0	0	0	0	0	0	0	0	0	0	0	1726	0	0	0	0	Organosulfur	0.16666667	1.6666666	0.0
18	C14 H16 O1 N2	229.13354	229.13379	0.001479122	229.13354	10990	9625	9677	10338	6571	6178	17596	22943	2221	3088	2963	9657	1534	5511	6340	23116	37081	1950	3495	3092	2303	3832	3923	15846	6540	0	18738	4701	22256	21023	20073	30762	54944	41359	0	34776	41304	7504	40505	2083	2465	8733	5082	6858	2880	2573	1214	6570	37705	23006	7785	12454	6289	1522	0	0	2797	16994	2319	3544	18183	2097	0	2570	3516	2784	7249	40709	1410	2526	2197	27456	28814	19232	38135	27336	2647	10084	3537	4110	4524	1944	2351	1921	1349	2645	3503	13884	14198	8700	4476	0	7475	0	0	6605	10188	8957	1757	0	0	39968	9704	1980	0	17292	1184	7174	9036	4881	Unclassified	0.071428575	1.1428572	0.14285715
12	C14 H16 O1 N2	229.13354	229.13382	-0.025042003	229.13353	2044	3299	4405	3912	0	5631	3048	7117	1672	0	0	3106	0	6513	5478	15227	5748	2337	2774	1744	0	0	3393	8496	10068	840	6570	0	7301	3482	13134	6477	21587	8660	0	4368	18038	3948	6637	0	0	4344	0	0	0	0	0	0	11873	3214	4166	5895	4787	0	1417	894	1663	18833	0	0	0	0	1113	0	2069	2892	5614	10221	0	1343	0	4815	3033	1749	7608	4001	0	3583	2601	0	1715	0	0	0	0	0	5730	7915	4511	10630	0	0	6088	0	0	0	3863	2911	0	0	0	21263	2839	0	0	9708	0	0	4574	0	Unclassified	0.071428575	1.1428572	0.14285715
4	C14 H16 O1 N2	229.13354	229.13391	-0.0367511	229.13353	6907	8875	7482	8549	6708	3421	4853	13699	3590	10058	7896	8839	2883	5961	9874	18123	14146	2165	3360	9008	11350	3500	5336	12677	7783	5542	6585	20585	9866	10548	12993	10715	10135	9036	8652	11447	9455	9370	12367	6547	4578	3252	0	0	0	4175	4812	0	13946	12933	7680	6556	4723	0	3529	994	2076	11446	0	708	13030	3156	2839	2552	1869	5297	4974	18122	2302	4658	5536	10329	7429	10605	19315	9031	0	7703	6804	7512	8157	534	499	4917	1491	1445	6677	5465	5276	21546	4969	741	15883	5295	10471	0	6535	7719	3509	1839	1574	12895	7709	2985	0	12780	4576	0	6105	1936	Unclassified	0.071428575	1.1428572	0.14285715
10	C12 H20 O4	229.14343	229.14372	-0.050393574	229.14342	16799	13598	14860	12535	14723	12593	42778	15695	7804	9475	10315	12088	13138	100613	14410	18701	25747	12136	12217	9037	6466	8938	11260	15509	14053	20863	41213	11694	24766	23404	17117	18776	18062	19109	8115	26771	18352	13487	28377	4451	8444	17212	16888	6255	7304	8968	6981	6415	21645	16534	16476	15514	12354	10436	8084	14199	10619	23046	8513	10214	24738	4910	22947	9638	44112	15685	33489	27594	8653	12203	7197	12397	20004	26564	23805	19486	8850	10001	10287	10427	6582	8780	76315	93126	15257	18265	17544	11159	15406	16638	12232	13877	7881	5814	9583	6398	15629	19704	13254	12299	14923	22065	11418	13462	0	13120	11984	6820	12390	11701	Lipid	0.33333334	1.6666666	0.0
12	C12 H20 O4	229.14343	229.14374	-0.042454973	229.14343	33324	36731	39001	40732	24036	25832	164903	28919	12452	12114	15185	17565	19236	363372	20614	38482	42322	19995	22630	18466	12561	10323	19581	19161	28418	95855	133755	19861	40869	29737	30384	44606	27929	37835	10677	41273	23868	24136	44528	8267	22248	27489	26555	9360	8965	13423	22121	7613	40626	29235	33818	33193	19997	11550	12806	36667	26286	36835	15391	34781	45187	14287	133062	9455	234429	32027	107837	31612	28602	26077	25733	27709	38111	50808	31307	37662	7563	21966	13553	35928	11040	38991	264967	402611	17324	21885	26478	15410	20496	35268	38583	29222	17074	17089	17219	9822	32691	40109	34661	13307	19953	33504	17472	21119	0	24202	15812	7144	20916	41817	Lipid	0.33333334	1.6666666	0.0
22	C12 H20 O4	229.14343	229.14368	-0.030122882	229.14343	26247	20695	19450	26342	20904	24747	58980	28353	13520	7396	18421	11833	12149	47597	36467	14719	28873	9707	12179	4560	10824	5795	14804	10696	20728	9645	53567	967461	30843	26208	25355	23268	18597	17225	7014	24030	11620	32289	28205	8090	9980	18267	65668	20302	22436	9193	10609	16848	29845	30462	31398	23675	16786	44514	17382	13047	23860	21583	12599	13799	21072	8296	14970	9446	51993	33353	44411	31349	7091	3077	5281	18834	17273	34570	13929	25192	20891	12767	11724	156603	9357	15923	58824	42020	12320	30985	24935	12751	19407	9549	70714	60756	18770	18072	9632	20306	25983	30219	21904	9124	15608	18939	15610	11346	23170	19813	18757	17931	13532	16616	Lipid	0.33333334	1.6666666	0.0
14	C12 H20 O4	229.14343	229.14372	-0.0299291	229.14343	29080	23731	25847	34070	21770	32578	93421	27003	11422	8149	14112	17948	16863	267798	20680	23730	35410	22561	19846	14881	13944	10166	18829	11882	24604	68516	101428	22988	38292	37324	30021	28659	33179	34055	7813	33305	26864	26136	41686	7430	15219	24102	33201	16979	12393	15206	17524	14093	39248	22776	23194	24934	16028	20428	15143	33947	26063	28838	7274	27173	48042	7717	47192	11776	194234	26743	108299	35262	18363	13949	11287	24291	37966	41332	31783	35148	15840	15633	15207	29345	12590	21639	138355	211734	30781	61993	31710	16017	18823	25932	26569	25528	22105	7067	8754	14800	24641	29273	25193	28343	79528	23599	16621	31420	0	25132	50155	14649	23686	20229	Lipid	0.33333334	1.6666666	0.0
10	C11 H20 O3 N2	229.15466	229.15495	-0.040032197	229.15466	19839	21739	22341	19916	2545	12747	22635	8751	1000	3972	8148	15239	0	0	2828	24879	52489	2929	3169	1498	2723	4659	2671	12028	15038	1174	46467	97409	16426	13091	12819	63687	52427	57028	2610	36355	42871	5615	68849	0	1927	36717	557	0	0	0	2806	0	30839	6715	20670	21839	11907	0	0	946	2582	23354	0	5089	21777	0	2599	2541	5106	9567	14430	68851	0	1619	3132	9343	14820	9789	33454	15323	0	8795	7577	647918	2550	2179	2631	0	2782	2822	12138	12042	10240	8876	721940	162569	6023	44741	7801	0	25741	19385	2185	1648	2746	42713	13179	3576	0	6542	2369	0	35694	2489	Peptide	0.27272728	1.8181819	0.18181819
4	C11 H20 O3 N2	229.15466	229.15504	-0.06657909	229.15465	265826	299859	251081	267873	24918	19663	11184	24403	16037	72818	437445	10685	25758	13362	11248	51068	29151	21200	22643	8062	6798	51232	20818	37969	17204	1175	15493	1489379	22079	10850	23127	28418	27058	27534	22498	17589	18690	15936	37181	4505	6932	16502	0	0	0	15472	8806	0	23567	15435	269418	213509	18043	324	17990	12718	8492	106400	3423	7156	36545	3169	23877	12613	13052	25871	24643	33912	3172	7577	8017	15322	17896	13453	14029	13963	0	11184	32792	4104771	19041	7923	5950	2846	17664	15635	53086	19515	17665	104218	9929389	5241459	66693	856764	208190	428	209534	274679	26009	16406	24088	18040	12043	10192	5047	32010	18707	0	20394	30352	Peptide	0.27272728	1.8181819	0.18181819
8	C11 H20 O3 N2	229.15466	229.15497	-0.07986566	229.15465	23743	29387	21528	26861	6711	23298	20907	11605	2634	3967	10644	14690	5584	3343	6681	31307	80223	9591	7369	3279	2925	9003	4773	12380	8723	808	28974	96380	32736	13331	17199	31945	35785	37845	5022	31297	55007	5572	79926	1396	1990	91161	0	0	0	4312	3348	0	31229	9964	25255	26665	53288	0	4811	1974	10163	25958	1357	2845	22206	0	5776	3121	7473	20372	41795	80283	0	1545	3007	12533	29458	12129	43584	24577	0	11499	5492	373220	4916	2478	2343	1357	4076	8141	12985	67218	29145	34362	548116	190422	24460	40161	8541	0	23848	20836	3124	2358	3158	50443	11556	3416	0	17616	3942	0	10793	4851	Peptide	0.27272728	1.8181819	0.18181819
12	C11 H20 O3 N2	229.15466	229.15494	-0.015914628	229.15466	6514	4552	5038	5777	0	3143	0	1322	0	1519	4973	0	0	0	1275	4007	3308	2643	0	0	0	0	0	4825	23044	0	0	43136	1510	1921	2634	3804	3227	3493	0	1287	2471	1283	4327	0	0	2025	0	0	0	1796	0	0	3189	1255	4890	6014	1318	0	0	0	0	5867	0	0	0	0	0	0	839	0	0	4411	0	0	0	1683	3368	1145	4283	1638	0	1718	5047	355205	939	2161	0	0	0	0	4693	2008	0	0	273986	91074	5278	21551	2822	0	4363	4637	0	0	0	0	2319	0	0	3151	0	0	16765	0	Peptide	0.27272728	1.8181819	0.18181819
6	C11 H20 O3 N2	229.15466	229.155	-0.072600156	229.15465	16683	22570	18528	20497	10613	13103	10530	12031	7558	8524	10417	9271	9204	5501	8137	24233	14098	11376	11632	5702	5299	16911	9792	19100	14953	1305	11943	75470	13040	10029	11890	19071	16833	18843	9673	13852	17988	7391	23705	3027	3544	9330	0	0	0	8086	5712	0	18660	9322	20487	18667	10010	0	8208	3621	6356	30424	2023	5500	20861	1502	9162	6018	5400	10992	12555	23517	0	3144	0	11609	12678	11453	11862	10671	0	7403	12110	384208	8396	5500	5022	1798	7474	7676	19369	10755	10625	57083	413580	154959	38888	27970	8682	0	20275	17675	4402	4924	8182	15349	8429	7267	0	24213	8685	0	14614	14445	Peptide	0.27272728	1.8181819	0.18181819
14	C11 H20 O3 N2	229.15466	229.15492	0.13984984	229.1547	1690	3173	2026	3207	0	1510	2359	0	0	0	0	0	1584	0	1165	3438	4071	0	0	0	0	0	1233	0	2026	0	2212	16878	0	0	0	0	1742	1339	2471	0	2204	0	4230	0	0	1624	0	0	0	0	0	0	0	0	2668	2092	984	0	0	913	700	3100	0	0	0	0	0	0	873	0	0	3923	0	0	0	0	0	0	2525	1216	0	0	0	88918	0	0	0	0	0	0	0	0	0	0	156551	30834	0	3870	2069	0	4095	1872	0	1721	0	0	0	0	0	2667	1113	0	1183	0	Peptide	0.27272728	1.8181819	0.18181819
16	C11 H20 O3 N2	229.15466	229.1549	0.13605222	229.1547	0	0	0	0	0	0	0	0	1216	0	0	0	0	0	0	2090	0	0	0	0	0	0	0	0	2841	0	1886	22171	0	0	0	0	0	2304	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1762	0	0	0	0	0	0	0	0	0	0	0	33208	0	0	0	0	0	0	0	1023	0	0	72772	14929	0	1783	0	0	1562	1608	1644	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.8181819	0.18181819
20	C11 H20 O3 N2	229.15466	229.15486	-0.020792605	229.15466	0	0	0	0	0	0	0	0	0	0	0	1049	0	0	0	0	3547	0	0	0	0	0	0	0	0	0	1218	12034	1759	0	0	2285	1867	3284	0	2284	2128	0	3191	0	0	0	0	0	0	0	0	0	1732	0	0	0	0	0	0	0	0	3019	0	0	1457	0	0	0	0	0	0	3722	0	0	0	0	0	0	3177	0	0	0	0	28354	0	0	0	0	0	0	0	0	0	2153	30009	7355	0	2155	0	0	2215	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.8181819	0.18181819
18	C11 H20 O3 N2	229.15466	229.15479	-0.1932831	229.15462	0	0	0	0	0	0	0	0	0	0	1741	0	0	0	0	0	0	0	0	0	0	0	0	1108	0	0	0	24241	0	0	0	0	0	0	0	0	0	0	2137	0	0	0	0	0	0	0	0	0	0	0	0	0	0	458	0	0	0	1183	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22473	0	0	0	0	0	0	0	0	0	0	34476	6618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.8181819	0.18181819
2	C11 H20 O3 N2	229.15466	229.15504	-0.080277756	229.15465	351667	338306	308409	335029	190892	261489	54085	139987	83720	73214	302768	60836	195709	124994	94732	123449	94313	207926	145292	32762	44529	155778	97518	131341	62280	2368	27078	986145	203008	70743	169522	152924	228896	166637	105280	114029	147574	83723	121384	35166	25206	113347	9356	455	508	43937	37323	415	134115	65788	339747	334687	139523	5013	87073	41819	41227	260477	16918	22288	106455	8666	179280	71237	71883	200419	156718	140325	6242	35095	14614	121385	146072	98442	49405	109830	761	77517	122205	6089410	71470	16585	20953	9041	59687	69631	180580	178293	180474	254014	7339628	4024827	265221	1081895	58160	2536	322453	326129	177385	60112	86417	108660	72984	63614	14602	181477	60701	408	91263	191087	Peptide	0.27272728	1.8181819	0.18181819
2	C14 H21 O1 Na1	229.15628	229.15656	-0.30542815	229.15622	0	2132	0	2080	0	0	0	0	0	0	2222	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6996	0	0	0	0	0	0	0	0	0	632	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10392	0	0	0	0	0	0	0	0	0	0	36962	78630	1405	0	0	0	5254	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.071428575	1.5	0.0
4	C14 H21 O1 Na1	229.15628	229.15651	-0.05209545	229.15628	0	0	940	604	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5977	0	0	0	0	0	0	0	0	0	0	0	43604	0	2987	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.071428575	1.5	0.0
18	C16 H20 O1	229.15869	229.15894	-0.049344514	229.15868	85538	95918	74072	77167	65789	44084	99073	80804	46214	69467	60617	64985	40574	50687	65617	115861	164865	55999	80896	93377	89493	72595	62552	82661	60730	103401	112268	60640	77603	86012	73740	104274	105751	75003	61257	86688	92970	64509	187343	60416	105680	57809	4298	1734	1762	52898	64672	1798	99689	88554	89287	87238	52803	1817	48208	58200	57176	121935	39710	98714	87541	40297	52447	46091	49880	62972	67482	166840	83076	83930	145301	60473	61341	84028	143305	105625	1315	50146	101751	77038	75680	60481	86555	80446	67661	57728	111819	66059	68752	217358	113516	87306	110844	52076	80123	2425	79069	83120	57717	78522	83027	96804	60336	75331	29502	70792	48106	1541	86091	40803	Phytochemical	0.0625	1.25	0.0
14	C16 H20 O1	229.15869	229.15897	-0.045342512	229.15868	27824	23909	20231	21521	16646	10276	24584	27972	13670	7636	13601	23660	8459	11958	16052	31627	41237	13683	12311	22230	16683	21735	16927	26082	17713	25573	28125	12108	21592	21123	27169	30404	23821	20428	14228	27078	21777	14873	46226	14981	24879	14298	0	1135	1222	15838	20228	2206	31990	24681	27806	22153	13567	1128	14329	15163	13408	37080	12772	25578	18596	8025	10443	12470	9995	11380	11803	45634	14455	23156	32328	15606	16423	28542	34091	26452	1305	17871	28475	0	20316	17403	24640	21584	17148	12180	33904	13471	18876	66060	26267	20356	35479	11665	18585	1686	22003	21801	13135	20349	23157	25999	18404	22734	0	25471	14237	1459	22080	5256	Phytochemical	0.0625	1.25	0.0
12	C16 H20 O1	229.15869	229.15898	-0.0565838	229.15868	13238	13198	9621	10705	4418	5399	11065	9003	4962	4869	8451	6406	3965	4375	6997	23070	14062	3774	8924	6314	8071	10842	7145	13894	8811	8416	15041	0	12227	11131	10328	11712	12213	5947	6140	12770	7367	8488	19837	5763	12244	4963	1393	1451	1283	8603	9577	1645	13372	11197	9758	13331	5688	1058	6781	5354	6628	15372	6917	8235	0	3991	3224	4541	3241	4610	4634	14769	0	10595	10894	5090	8971	14522	19356	14421	1181	6650	11206	0	11217	9090	10715	5394	5160	5853	11621	5724	7752	27123	12279	12213	16135	5334	12385	1940	14208	11899	6326	8131	9770	13294	8440	8303	0	10789	7266	1369	11480	3581	Phytochemical	0.0625	1.25	0.0
20	C16 H20 O1	229.15869	229.15894	-0.030103343	229.15869	119204	151271	121935	119148	104371	72123	130340	129051	88203	114343	93345	100082	65777	101014	105527	175068	220176	84869	120589	137665	168202	109000	93813	123662	100632	165019	165453	95356	123345	133451	92950	141785	144831	117818	118507	138817	145046	99848	221935	110102	147760	95991	5955	3108	1724	69917	104663	2889	134905	118135	125534	126234	85243	3193	80042	78658	89552	169273	78270	123228	131575	61840	93778	68015	79371	98202	103418	224673	122136	141053	192377	93090	119964	139431	226114	146675	1880	80102	150376	122433	98814	73580	124798	120697	115718	90913	181896	97998	106175	306429	176073	132222	174248	91409	104013	3198	117459	139901	103517	113255	121964	158501	95441	120202	57434	118710	102021	2988	115432	73682	Phytochemical	0.0625	1.25	0.0
22	C16 H20 O1	229.15869	229.15894	-0.030034233	229.15869	147517	173166	129699	144583	137501	93613	163031	155360	108178	150940	146277	116798	71162	107042	152984	209206	296491	127453	127292	193370	199680	156600	112970	143576	158163	174214	172849	141889	159227	159592	124938	165769	188939	162199	148726	181970	164678	137420	287761	122344	153009	114814	9337	4142	3326	89324	127861	3688	162708	144795	147680	150855	118441	5349	100151	109034	99734	215793	93412	137530	183338	83505	92991	91150	82155	114047	137438	310676	142521	177733	213064	114918	129390	154055	201663	179030	3219	98782	164981	141532	121283	92616	147737	134912	141861	116050	220812	130201	131669	339926	209794	178182	225175	135076	148872	4443	131233	158707	134488	144091	124241	218642	118755	144509	82082	162896	114744	3557	175241	92292	Phytochemical	0.0625	1.25	0.0
28	C16 H20 O1	229.15869	229.15895	-0.02314956	229.15869	16747	15829	11592	13539	17816	11940	16996	18996	12598	10268	10995	11674	11273	17756	15425	21388	17693	15116	18549	12176	12013	15809	14418	14849	18169	14382	18091	14815	22021	20971	19235	23207	23970	17504	11791	26513	19039	15242	20694	10338	8975	15403	4027	3816	4523	11528	5302	3345	19156	18708	17752	16681	15399	4566	13330	12904	9378	27354	11235	10528	21055	9086	9181	13066	11654	14853	18266	22649	14113	13127	14970	13713	15483	23906	13733	22006	3400	15259	22268	16724	11740	8946	13792	11324	18032	11638	32403	11611	15237	41603	22656	17456	26572	11976	11669	3068	15194	16645	20749	20108	19183	26934	13312	15982	10243	20056	16865	4307	18070	8849	Phytochemical	0.0625	1.25	0.0
24	C16 H20 O1	229.15869	229.15892	-0.022615688	229.15869	138653	144692	118128	138099	126130	83477	128017	141296	89222	126521	140575	110672	96236	109423	148071	214960	213202	109756	152415	176554	178489	134474	109201	126159	138566	126989	134085	139240	136607	143534	120887	170498	162201	148196	145323	184958	154789	129038	201075	101839	110023	119082	12823	6558	8146	84433	90981	5615	151389	132664	127683	134688	117878	7624	113696	95894	89186	204217	93420	95692	174238	70830	81749	79823	75412	107814	130340	196263	94104	99643	136535	105867	116255	145001	156431	158775	7578	105670	149951	130514	98085	88409	99730	94529	129384	105872	201419	104356	114121	263176	184503	174017	198584	102963	151255	7734	138380	143310	123005	114280	118802	202102	105104	147899	82264	143171	98980	7201	157666	71856	Phytochemical	0.0625	1.25	0.0
16	C16 H20 O1	229.15869	229.15897	-0.043404922	229.15868	43661	52317	41171	43562	27993	18657	59341	44923	24459	28496	32003	37010	22298	27456	37239	66947	91480	32774	41982	42076	46720	45165	30757	45690	37535	71306	60500	31440	39600	47997	46670	46500	45487	36966	35115	51105	47726	37713	104182	36684	56143	27517	2779	1857	1466	28234	41404	2159	49355	45201	44504	49475	30623	1672	22356	27882	27967	58652	24955	51479	52445	20373	30565	19205	24952	31884	32894	93082	40321	42350	70471	34014	47938	47115	81931	53113	1277	28865	57753	39157	40154	33270	49103	45085	40260	23499	62301	29135	34395	142048	43799	40790	50092	26906	39434	2247	46947	43234	29256	39042	47550	55896	31461	41176	11880	53158	30186	1832	48640	25792	Phytochemical	0.0625	1.25	0.0
26	C16 H20 O1	229.15869	229.15895	0.021915339	229.15869	67229	65865	64437	56358	56670	31025	57520	78961	50425	38125	50830	54642	34012	49804	80219	89600	80395	48374	69396	65935	71982	83341	52928	64431	77314	52934	58391	64623	74276	83877	73531	83757	91993	63448	55574	100744	71326	74039	88634	54108	51409	69681	10599	8914	0	41470	30108	9179	83527	72031	72818	62319	57885	11008	49531	47516	47823	116630	47853	37557	91154	33799	40218	37378	35385	52540	58701	83368	46009	42405	52058	46451	58540	75710	58923	85974	0	74374	69308	71230	47927	35328	55886	54859	54836	47640	123403	48749	52488	111291	130933	117617	128917	45608	76412	9469	62250	74619	57506	60304	61953	99905	56727	61647	33225	72452	49077	9241	76852	31404	Phytochemical	0.0625	1.25	0.0
20	C13 H24 O3	229.17982	229.18004	-0.045864876	229.17981	5563	5378	5737	3327	2509	2898	150444	6017	1549	0	9943	3129	0	62897	3822	2966	3679	0	0	0	0	0	0	0	2823	30174	156310	21943	3942	2601	3144	3900	0	2328	0	2363	1726	3740	5820	0	3949	6894	25938	5019	6146	2561	3444	6054	4650	2232	5970	3694	1155	9929	0	3273	4486	2208	1966	10541	3897	3173	9564	0	74430	3461	8448	9393	4216	0	4642	1561	1393	5389	5874	2297	6608	1103	1496	34121	1715	9436	44139	98945	3177	13371	3346	1917	2660	8313	6255	8926	0	2330	1768	7476	4020	5425	5170	1558	7770	1902	1569	18571	5925	0	7230	5396	1832	1437	Lipid	0.23076923	1.8461539	0.0
18	C13 H24 O3	229.17982	229.18	-0.03145311	229.17981	1896	2764	1882	0	0	2992	32436	0	0	0	0	0	0	30298	0	0	0	0	0	0	0	0	0	0	0	8416	32415	5045	0	0	0	0	0	0	0	0	0	0	2582	0	0	1436	5261	1239	1923	0	0	1849	0	1530	0	0	0	2143	0	1981	1407	0	0	2038	2497	0	3981	0	17286	2090	6100	0	1892	0	0	0	0	2216	0	0	1667	0	0	19552	0	2086	26654	70482	0	0	0	0	1178	0	3777	2712	0	0	0	1772	0	0	1730	0	0	0	0	5391	0	0	0	1750	0	0	Lipid	0.23076923	1.8461539	0.0
2	C12 H24 O2 N2	229.19106	229.19142	-0.104348674	229.19102	3452	4239	3048	3746	14868	0	1443	3629	698	2835	1763	1398	5369	3320	1715	5914	4243	2125	1735	1869	2270	6288	1590	4525	2824	440	1302	1307	2914	5758	5191	5649	2759	5602	4104	3767	2991	1629	3686	3293	1646	0	0	0	0	1695	1989	0	2991	3675	4230	3770	9156	0	543	520	946	7267	0	0	3701	779	1496	554	0	4026	1620	4892	0	591	1073	4854	3738	3247	4848	4012	0	1466	2994	4969	1825	0	818	1442	462	1057	9425	1158	1280	28931	12035	6496	10882	3072	9259	0	3455	2754	991	364	721	2651	968	2485	728	4596	3880	0	3131	3121	Peptide	0.16666667	2.0	0.16666667
6	C12 H24 O2 N2	229.19106	229.19131	-0.028183622	229.19106	0	0	587	799	541	611	452	771	0	0	0	0	0	825	718	0	1288	858	760	0	742	0	0	1121	0	0	483	2232	929	0	1249	1354	0	1693	0	1694	1132	0	952	0	0	0	0	0	0	0	0	0	2499	727	0	0	853	0	0	0	0	1422	0	0	0	0	0	0	0	1434	501	1764	0	0	0	0	0	0	0	732	0	0	0	87075	0	0	0	0	0	0	1436	592	872	4595	0	0	2031	0	0	0	0	0	0	0	0	1166	0	0	0	1299	0	0	0	0	Peptide	0.16666667	2.0	0.16666667
12	C12 H24 O2 N2	229.19106	229.19138	0.06591322	229.19107	0	2701	2231	1929	0	78067	0	0	0	0	0	0	0	0	0	0	0	11687	4680	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2126	0	0	0	0	0	0	0	0	1833	1999	175423	0	0	0	0	0	0	0	0	0	0	0	5596	21949	55704	0	0	0	0	0	1284	0	0	0	0	0	0	0	0	0	0	0	0	32565	0	30487	5751	0	0	0	0	0	0	0	2044	2584	1485	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.16666667	2.0	0.16666667
22	C17 H24	229.19508	229.19533	-0.007835988	229.19507	13323	12860	9505	11143	8494	7249	52889	12794	4167	6359	5766	7250	3589	16011	9816	20808	35561	4111	7938	5938	5033	9834	8481	8436	14297	15676	53593	8296	11152	10477	11925	13510	11333	11673	3265	13846	10257	13696	35143	4388	6159	10628	0	0	290	4541	13818	0	14023	13216	13399	9223	5347	592	5074	6403	7646	22477	3647	17160	15073	4669	8143	4521	13914	8565	13109	38393	7408	6508	13197	9482	8565	15157	26057	15860	0	6280	17242	17444	11077	9456	24859	32712	7377	9309	24590	7829	9341	70824	23557	14440	18958	5367	8259	0	9552	11572	11929	9712	8985	16554	7934	11311	4761	11848	8446	0	17347	2896	Lipid	0.0	1.4117647	0.0
28	C17 H24	229.19508	229.19533	-0.01895439	229.19507	6140	6303	5092	6289	5620	3295	13638	9425	3501	1668	5592	5306	2455	5197	5392	6105	9799	3580	5726	5287	3999	4464	5617	4830	12844	5957	11249	8378	8839	9540	6465	9655	6878	5690	3571	11629	5133	5561	10120	3684	3848	6556	1396	1429	0	3010	3472	1139	7727	7387	5034	6704	5716	0	4000	4286	5562	9903	5027	4701	8403	2488	2621	3252	4691	6587	9758	12219	5575	3795	4070	2794	5705	9443	7597	6787	0	4580	11004	10258	5193	5213	5727	6005	7018	6483	24070	4364	4929	17101	11016	10143	7224	5354	3541	0	6521	5743	5581	7238	9015	9367	5319	6565	4184	5988	6316	0	9489	2526	Lipid	0.0	1.4117647	0.0
26	C17 H24	229.19508	229.19534	0.018615589	229.19508	24980	30750	23251	22294	18041	11082	56037	34417	16451	10994	25327	23645	9571	29305	26667	51665	50718	8943	19891	16981	18603	20333	20729	26634	36904	34966	56784	36131	26225	33962	20286	30379	27418	19651	16335	36052	25549	27841	61984	16851	28277	23555	0	0	0	13527	22248	0	31787	36992	28252	30337	16504	0	15275	15811	18591	59369	15253	28145	42598	13997	16470	10679	20514	19624	38411	62274	25911	17928	24091	16902	17619	28211	40478	33567	0	17646	46628	53851	22265	32817	28596	25158	17656	17336	106822	17270	16768	128235	53937	38888	33249	33135	24444	0	28341	30320	19214	22975	26863	36024	20425	26011	21682	25544	16971	0	55408	8416	Lipid	0.0	1.4117647	0.0
24	C17 H24	229.19508	229.19531	-0.02007288	229.19507	26123	34793	24848	29971	21425	13840	87340	35816	11272	15058	23857	18400	10307	38356	23076	44349	68112	11533	21045	17158	15394	18462	17254	31226	26107	43243	83973	31877	26337	30515	18818	34857	27749	21058	14359	28807	28561	22371	60590	16098	29811	17515	0	0	0	12582	27036	0	26483	57353	26468	28156	21073	0	14856	13476	18888	45911	13109	30489	41339	10901	20999	10393	27473	19327	37547	55357	18946	21913	29840	31609	20829	31894	53144	33117	0	17416	30114	39134	22505	29034	39548	48373	18513	19450	60689	20829	25312	117900	46317	31750	42763	20624	21459	0	31354	29901	21050	19317	18378	36718	19470	28872	18964	25357	14792	0	41231	10764	Lipid	0.0	1.4117647	0.0
2	C11 H24 O1 N4	229.20229	229.20262	-0.08634596	229.20227	3971	4076	3545	3622	0	0	0	2591	0	315	0	511	0	0	2118	32538	484	0	0	32031	20764	17641	2422	8073	10366	0	0	0	0	0	504	554	0	0	0	0	0	935	525	0	0	0	0	0	0	1023	802	0	899	0	3470	3900	0	0	0	0	0	29185	0	0	27766	0	0	0	0	0	391	714	0	1283	0	0	0	0	0	0	0	434	10281	2094	1404	0	0	0	0	0	21846	0	335	82545	10372	3231	69062	1651	5379	0	4356	4573	0	0	0	0	594	1292	0	9356	0	0	10457	0	Unclassified	0.09090909	2.1818182	0.36363637
10	C13 H28 O1 N2	229.22745	229.22778	0.024788626	229.22745	0	0	0	0	0	0	0	0	0	0	0	0	958	0	0	0	0	2097	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	530	0	0	0	0	0	0	0	0	2552	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1025	0	0	0	2195	0	0	0	0	5494	0	0	0	0	0	0	0	0	0	0	34794	0	0	0	1347	0	0	0	0	0	0	0	Unclassified	0.07692308	2.1538463	0.15384616
14	C12 H7 O2 N1 S1	230.02702	230.02731	0.021387609	230.02704	4987	6819	6005	5172	5160	9930	15687	8528	0	0	0	5339	0	0	2443	24360	25841	6172	2337	0	0	0	0	5508	2878	0	0	0	5503	4371	8864	0	23067	14982	0	4209	46968	3577	26437	0	0	5865	0	0	0	0	0	0	16347	3640	7332	5698	13786	0	0	0	0	19956	0	0	26240	0	0	0	1292	5479	6560	25458	0	0	0	15436	8260	2735	3878	2952	0	3050	3385	0	0	0	0	0	0	0	3861	22679	6975	19960	0	0	6984	0	0	0	9630	0	0	0	0	13823	2369	0	0	80216	0	0	4003	0	Organosulfur	0.16666667	0.5833333	0.083333336
14	C9 H11 O4 N1 S1	230.04816	230.04842	0.08618856	230.04817	3457	5774	2502	3849	29765	9496	2921	3062	2502	0	0	2371	2060	3002	4194	3623	2277	5152	4082	0	0	0	1596	0	3645	0	1434	0	6698	2710	5679	7551	6919	8665	0	4112	8181	3432	3334	0	0	4801	0	0	0	0	0	0	5139	1941	4999	4615	10202	0	2348	0	4480	12275	0	0	0	0	2709	1190	1788	4130	2533	2465	0	0	0	3012	6123	3814	0	4891	0	1866	0	0	1762	0	0	0	2111	0	5332	2630	5672	0	6744	2620	3255	0	0	0	4365	3720	2755	1491	0	3913	3089	0	0	7404	501442	0	3395	6998	Organosulfur	0.44444445	1.2222222	0.11111111
2	C9 H11 O6 N1	230.06592	230.06631	0.01459207	230.06592	5426	5477	4577	5380	14464	0	2164	6204	9886	1421	2200	4884	21007	6940	4424	1820	4534	16478	14789	2083	3608	6194	4426	5182	2065	569	0	0	7477	2853	5314	5194	11090	8078	3338	6219	7643	3102	4355	1911	1444	8148	757	623	923	3179	1682	705	7476	3137	4945	5914	10050	722	11127	5634	3795	7424	1861	1442	3225	824	23883	11613	3917	17613	11244	6040	1097	1164	845	7046	7015	4834	232	5814	805	3955	3401	0	2595	1496	1308	927	6412	4368	4389	12424	13363	5506	2129	3425	9916	1200	696	1093	8185	6697	5361	6672	7084	6522	4909	2652	1220	7434	5513	903	3454	26851	Phytochemical	0.6666667	1.2222222	0.11111111
8	C9 H11 O6 N1	230.06592	230.06625	0.020153675	230.06592	5969	8529	6541	9097	11815	11558	5736	11357	17409	1205	3247	6562	19994	8250	8933	10728	16992	17892	19295	2673	2973	8068	11717	8580	4835	0	5714	0	8385	6931	5953	8278	12571	8825	2966	7768	10678	6413	16461	0	1361	14007	796	821	1602	2527	0	727	8760	5322	7124	9106	12691	1466	16942	10368	10033	8404	2647	3231	13487	1215	23540	14977	8353	16701	12779	16703	0	0	0	7932	7133	6267	9096	8261	990	6765	6634	0	7179	2244	1024	0	12025	9818	8899	16498	17236	12092	0	0	16898	1269	0	1131	9213	8672	11914	10839	8489	10467	8165	2872	0	10595	10779	791	5303	29582	Phytochemical	0.6666667	1.2222222	0.11111111
6	C9 H11 O6 N1	230.06592	230.06627	0.038825464	230.06592	12765	13263	8935	12362	23423	15855	6762	12691	27577	2636	3886	9305	30121	12959	9898	11295	16197	32764	28173	4189	4623	9862	13419	11064	6020	0	5890	0	12429	9740	12387	13112	19448	12208	5790	10402	16632	6580	17792	1192	1949	13786	906	876	1547	4307	2516	906	14412	7680	13408	11441	20037	1685	22266	13794	11846	13647	4142	3023	15897	1247	33883	18300	11319	28564	18559	15468	0	0	0	9765	11341	9341	8522	8216	782	8104	6745	0	5472	2466	1930	1223	15948	11752	9310	21184	21552	17809	10249	4860	14478	1749	2121	1182	13642	11668	11968	12740	14764	20896	10426	5020	0	16073	14997	915	4525	48970	Phytochemical	0.6666667	1.2222222	0.11111111
4	C9 H11 O6 N1	230.06592	230.06628	-0.010563124	230.06592	8656	8044	8618	6128	13510	8876	4124	7704	15012	1729	2623	6817	19003	6270	4625	7892	12678	19410	16722	2737	3590	6230	6600	9715	3252	877	3487	0	7018	5074	7436	7170	11839	7287	4061	6840	9373	4975	14598	1904	2092	12595	1480	833	1299	3721	1595	1127	7587	5408	8260	7081	12670	1176	11848	10616	6934	12463	2316	2240	9994	0	23174	13155	11336	16795	10181	12415	1072	1609	0	6408	6888	5840	4553	7019	773	5610	4576	0	4374	2172	1364	809	12336	6822	6493	14763	14368	9490	2537	3233	10112	1424	2541	1767	6296	8919	10217	13023	11833	8918	5922	3224	0	9212	10109	884	3758	30262	Phytochemical	0.6666667	1.2222222	0.11111111
10	C13 H11 O3 N1	230.08118	230.08147	-0.016088933	230.08116	21692	16015	19537	17343	15326	12083	15323	17300	14900	15883	17175	11838	14599	10096	12833	31614	30598	23982	21929	17125	15643	24012	13483	24961	13660	9785	19925	19432	19344	19461	13838	23220	32663	22240	19349	16340	31783	14502	32957	15355	23245	15996	2218	1553	2251	13371	11989	2343	22495	14867	19865	18033	17744	1326	11371	10936	8780	35639	8161	13831	29757	7500	16536	12105	10208	17704	15356	35315	9867	13206	15277	13859	15211	12343	21699	17510	2056	8150	22377	14902	15720	11828	10973	7132	13237	13545	24771	19664	20765	58666	16018	15274	33919	11388	22280	2135	22150	21133	10989	11999	13333	24704	14869	14653	0	25111	9284	1685	18060	18315	Phytochemical	0.23076923	0.84615386	0.07692308
14	C13 H11 O3 N1	230.08118	230.08147	0.005606462	230.08118	26397	28236	28055	31471	26173	15550	23695	28454	21109	27334	26924	18437	14583	12066	15757	41198	42681	27596	28311	24040	29654	36096	20241	40071	22966	24785	24890	31439	18168	22901	23241	28788	42567	31966	27207	24650	38409	16086	45076	29764	41847	21671	0	1718	1448	21218	25141	2420	31471	19832	31759	24709	22076	1947	15598	10578	17271	57998	11763	27052	29338	15736	22468	15051	13954	26970	23000	51498	0	21744	38905	24232	23408	19952	27931	30207	1281	14669	34943	38020	28812	18866	19179	27309	15222	12861	35947	37395	32016	82272	33348	32099	67677	29455	34134	2144	29949	24293	11393	12763	13333	31343	16674	21749	0	46564	10230	1698	30367	19592	Phytochemical	0.23076923	0.84615386	0.07692308
6	C13 H11 O3 N1	230.08118	230.08151	-0.02133969	230.08116	14513	13062	10250	13567	14470	8542	10047	12648	11316	15891	12958	7937	13819	9169	10086	17330	11905	13602	16347	15697	18350	13377	8643	16631	8436	8138	11787	10421	12097	11571	11042	13784	18926	13592	17716	13462	16681	10152	20448	7439	12387	11018	1667	1321	1367	10254	12713	1452	13444	9548	12230	13038	11132	1351	9016	7216	8695	21861	3885	7746	21427	5268	11029	8706	4490	12413	13547	20325	7369	11577	13839	11068	10667	6691	10163	12066	1209	7744	12505	7132	10243	6547	5821	7758	10977	8586	17518	13377	12162	30969	13313	9184	26884	9698	14824	1527	13104	9957	8286	10722	10429	18469	10569	7606	6704	16697	8210	1238	11431	12873	Phytochemical	0.23076923	0.84615386	0.07692308
8	C13 H11 O3 N1	230.08118	230.0815	-0.00606886	230.08116	17242	19323	12550	16287	12559	12058	11980	15517	11381	16076	15843	11291	8157	8594	11392	29600	23071	16645	21066	14503	13374	15627	14745	25126	10385	9585	14372	18877	14771	13936	13603	17463	22511	17344	21259	15265	19366	11760	25204	11968	17996	13172	1862	1232	1687	11266	13584	1427	21410	13063	14760	16101	13154	1620	12799	5930	10478	25138	4958	12013	25463	6730	13119	9507	7556	14230	12786	29158	8905	12783	13702	14609	13913	12223	15603	16541	1134	10095	16784	11960	15538	8317	6543	7179	9634	6262	20320	18174	18466	42076	14859	8360	29703	12014	18815	1877	16586	17112	6629	8273	8315	21504	12319	9938	0	24180	8242	1065	16002	13984	Phytochemical	0.23076923	0.84615386	0.07692308
16	C13 H11 O3 N1	230.08118	230.08145	0.01070584	230.08118	25440	25344	21675	29776	24503	19762	22772	23244	13469	18540	23622	16102	16454	17049	16572	47628	33556	30235	37189	16423	13610	31851	20388	40575	18550	15848	16767	22467	25820	21648	24447	26270	37353	23094	14605	20610	38124	16568	40208	30353	35964	20999	2738	1597	2007	13500	26298	2982	34059	21484	21684	31311	26497	1777	12617	10506	17048	53436	6020	21518	45295	17673	18092	10330	10347	22710	20429	33370	11899	19452	23555	24944	25933	13397	24262	20876	2009	15419	30209	37077	19290	15201	15722	19137	19357	15099	39786	32051	27436	100342	31663	21073	54401	22988	24486	2512	24073	30034	10354	13248	17024	31566	16078	12700	5773	52430	10475	2478	28295	28183	Phytochemical	0.23076923	0.84615386	0.07692308
12	C13 H11 O3 N1	230.08118	230.08147	-0.008487099	230.08116	30798	34596	28087	32334	19323	14777	28402	24811	15491	22710	20487	17992	15497	11681	13751	51514	37517	28350	31620	31903	21982	36760	18954	40066	20133	25729	29516	19549	20138	20929	24621	36365	41225	32393	27163	24472	39302	18890	43770	26272	38053	24632	1824	1699	1913	23439	24532	2229	36549	23861	28028	32382	22855	1736	16971	10181	16070	49528	6952	17752	35566	12274	20617	17391	12193	26937	18919	37834	0	32783	44326	22787	19658	19627	43552	25606	1450	14462	33012	25061	22926	19296	16244	20883	13658	13465	34446	32098	24379	77601	34576	36846	58979	22008	32376	2545	33726	28617	12927	13618	13674	40908	17631	25587	0	37664	14357	1917	22604	29016	Phytochemical	0.23076923	0.84615386	0.07692308
18	C13 H11 O3 N1	230.08118	230.08144	0.04868272	230.08118	7474	9255	8311	7295	7581	8887	4696	6356	3503	9651	8437	5207	10107	5233	4357	12527	9229	7061	11307	8817	11348	16272	6397	14917	5759	6065	8140	15413	8441	7011	9979	7787	12229	8073	6608	6389	15815	3685	10144	7236	15436	8754	2309	1762	1983	6914	6507	2384	13015	10294	7664	7865	6914	1800	4126	2532	3419	15259	3571	6387	13968	3296	9262	1690	4070	6441	9231	13715	5700	7358	11112	6580	7720	6943	6039	5205	1890	3308	13401	16525	4461	7466	4885	9329	3614	4543	17432	12907	10299	24892	13539	10493	22830	9665	10509	2411	10714	8149	4421	2672	4906	13776	6647	4873	3430	17998	4110	1722	11423	7486	Phytochemical	0.23076923	0.84615386	0.07692308
4	C13 H11 O3 N1	230.08118	230.08156	-0.02773426	230.08116	13859	14200	9955	12544	15756	11604	8474	13225	15103	17818	16152	7932	15117	9671	8778	20975	15380	18530	17794	16672	22319	13601	9960	16047	11145	8628	8560	12531	10284	6993	10982	11111	15024	8166	20224	9671	12564	8471	15934	8478	12621	14649	1979	1451	1850	9551	12795	2109	12483	9038	13775	10902	15391	1478	13800	9629	9773	14944	2331	6072	16389	4378	17133	10102	6385	14107	9796	14530	8308	13103	14571	7891	8603	7825	10933	10862	1229	6730	13934	12996	11573	6707	5193	6558	11984	8980	15161	12408	12750	30772	7863	6032	25247	7235	13128	3253	11842	13124	10897	13754	12283	13184	8592	7893	7144	13665	9565	1676	10894	15311	Phytochemical	0.23076923	0.84615386	0.07692308
12	C10 H15 O3 N1 S1	230.08453	230.08484	0.037803058	230.08455	4508	8867	4435	5546	5827	3829	0	1647	3168	9066	4689	0	13805	1896	0	5403	4477	4505	2149	13166	8321	11900	0	3020	3417	0	3900	0	0	2376	0	4193	2894	6493	10407	2766	6576	1314	5201	6864	8568	933	287	0	0	14239	17730	0	2345	0	7698	6685	4253	0	4828	2936	1400	3730	0	0	0	3269	3000	0	1565	4862	1932	0	0	0	0	3501	2820	0	2122	1522	0	902	1321	0	1512	7727	5653	3052	9205	3606	2293	6470	1304	0	40586	31569	2886	8130	26625	0	9046	6503	3334	8500	0	3421	0	10571	0	3297	8204	0	2494	2748	Organosulfur	0.3	1.5	0.1
10	C12 H11 O2 N3	230.0924	230.09274	0.087958835	230.09242	4298	3388	3895	4643	1965	2367	2849	8597	0	3105	2820	3406	987	0	2673	8289	7327	1269	1285	1594	3802	7077	2931	10510	4810	0	4637	0	2751	2980	2377	4893	4931	2979	2977	3930	6215	3793	8373	1562	3661	2143	0	0	0	0	2494	0	5307	4238	6150	2849	2549	0	0	870	1495	8989	0	3427	9010	0	1500	0	0	1723	3095	9901	0	0	1452	4993	3357	2189	3442	2445	0	3100	6463	0	4546	0	1115	1030	1526	1171	5555	3794	3410	23558	3092	0	16414	4314	5541	0	5512	3106	0	987	0	6655	2680	2309	0	10934	0	0	4935	0	Peptide	0.16666667	0.9166667	0.25
8	C12 H11 O2 N3	230.0924	230.09274	0.07318688	230.09242	3863	3848	2890	5907	1458	2372	4133	4876	1613	2419	3162	3507	820	0	3630	12463	7281	2005	2264	4380	2080	4891	2260	10836	5052	1660	4145	3257	7835	4096	4670	7401	4579	6479	2615	3870	7477	4184	9382	2653	4188	3076	0	0	0	0	3264	0	6835	6239	3195	6022	1822	0	1098	844	1084	9505	1211	2044	7529	0	1175	1283	2170	1580	2712	7696	0	0	0	7138	5366	3542	4764	5184	0	2694	5557	0	5352	914	2260	2229	1143	0	5489	3458	3625	21536	0	0	14930	2030	2579	0	4691	3898	1081	1175	0	6102	3489	2133	0	9090	0	0	7518	2166	Peptide	0.16666667	0.9166667	0.25
0	C14 H15 N1 S1	230.0998	230.10013	-0.34954864	230.09972	2147	2434	0	1612	1917	0	0	4869	723	0	0	0	27705	0	0	0	0	16542	4002	0	1634	0	1454	3238	0	0	0	0	10753	0	3770	3844	22975	13804	0	2513	7872	0	0	0	0	2292	0	0	0	0	0	0	3703	0	2323	1519	4072	0	1501	0	0	2341	433	0	0	0	4469	1733	0	14841	5177	0	0	0	0	13175	14760	3420	0	4325	0	1101	0	0	0	0	0	0	0	0	0	5340	0	0	1558	0	1539	0	0	0	0	0	0	0	0	2208	2810	0	0	4276	0	0	0	23452	Organosulfur	0.0	1.0714285	0.071428575
12	C10 H15 O5 N1	230.1023	230.1026	0.018525288	230.10231	21011	24025	26054	23549	31413	26452	23413	25546	28147	7878	8886	18700	31294	21014	33174	34810	42360	39666	34844	10856	8763	16748	25832	18798	22948	1260	18944	18490	30840	22914	22524	27691	35789	25445	6603	24859	29596	31755	48827	5197	0	24233	4097	4381	4474	7971	4177	4553	31274	20560	27667	24992	29982	4349	24628	17066	17341	31214	13278	8371	40330	3856	24993	20906	14357	34305	22362	37847	0	2867	2282	25898	25490	25501	37513	25575	3266	21688	15441	0	12706	8288	11415	4619	15311	19336	32822	22675	26876	24019	23948	15764	35221	5869	7752	4707	20411	23891	19179	16166	20609	30039	18433	13760	0	24341	25134	3744	16824	30937	Lipid	0.5	1.5	0.1
2	C10 H15 O5 N1	230.1023	230.10269	-0.04953809	230.1023	40519	41601	34399	42031	81008	75943	19468	41259	61178	17721	16082	28321	118640	40214	21724	18258	33542	93357	73815	20040	30375	39213	25751	28271	14171	3349	9217	12154	65506	30057	44688	47851	82714	59347	30693	40524	60847	19478	37628	23822	12909	51022	2683	2206	3531	21638	12856	2318	60698	24534	39917	38785	73090	2660	63252	36759	25321	57495	17944	13679	22431	7183	97605	62999	26123	102145	62729	38940	6873	9961	6535	60003	52677	34378	9337	52783	2502	25098	17629	10186	15053	12161	10507	5982	36787	56228	18751	67387	75750	31037	31440	34052	45796	11150	7443	4469	40978	39139	40619	38806	43865	43238	29009	27732	12739	44375	36418	2611	16197	142626	Lipid	0.5	1.5	0.1
8	C10 H15 O5 N1	230.1023	230.10262	-0.059958145	230.10228	159188	163615	124111	164631	239234	215365	99964	190909	230277	63508	67414	109570	306195	142625	148309	215124	151171	375748	319956	91817	80458	105619	158061	156329	105058	6599	85663	76141	256925	175882	239499	248367	245056	250392	93037	211911	252978	122175	153875	42439	50510	223463	5964	3310	5228	69965	61397	2885	220653	150447	153243	155019	234650	4968	244553	96032	113001	219746	58310	58712	215393	23380	240961	192419	103344	254696	261815	155103	13265	26651	17339	201502	210575	194644	120142	196412	3255	113616	80494	72620	68418	46988	54502	23061	124747	124768	126433	201871	275766	131119	119646	130783	195930	53051	47606	5515	156607	179578	150336	116007	134115	274601	131779	96894	32346	189508	181311	3567	87514	358149	Lipid	0.5	1.5	0.1
10	C10 H15 O5 N1	230.1023	230.1026	-0.036769163	230.1023	114741	96235	104947	101034	211766	182469	65053	186419	189532	46811	59404	100161	220173	118661	127800	159458	71833	268462	215432	54023	49759	59863	130272	98232	107782	5409	78516	120181	199550	155807	236999	199334	197982	193301	58529	172921	181848	101799	78695	28298	23062	175683	7962	4712	5883	48040	31902	4346	168049	122242	114495	104867	193429	5976	190771	80987	83744	173617	37746	34129	169064	13693	175947	141640	90215	185805	210071	73945	10727	19019	10187	159422	159406	156520	84988	113373	4446	95797	64902	67783	56535	33065	33749	11569	107117	132074	115718	148606	194984	67162	77354	97630	105213	37656	30717	6904	110143	119665	124740	94009	105728	176171	104619	68501	16564	145957	146885	5091	72120	263059	Lipid	0.5	1.5	0.1
0	C10 H15 O5 N1	230.1023	230.1027	-0.12202157	230.10226	20361	19183	17666	15947	40996	41668	4286	35217	23849	12877	3172	7335	51756	26290	7829	4648	8384	70577	53333	17442	32542	34204	11002	21286	10095	2606	1628	3429	47879	12865	31539	28687	71908	43441	25374	32397	49846	5962	10129	18526	3715	40823	2387	2262	3245	17691	2988	2105	37836	13718	18599	16622	44130	2671	30265	9718	5583	52793	9136	4031	13505	3335	70066	34280	6924	37865	60440	12361	3368	7659	3565	29906	42061	22766	0	30414	2835	12680	4692	2331	5189	4678	3841	3049	6314	6024	5972	26173	46470	10430	25377	22223	29940	3880	3317	3224	17092	18712	9634	9261	7818	31277	9597	19114	3706	40273	9212	2093	5591	105947	Lipid	0.5	1.5	0.1
2	C9 H15 O4 N3	230.11353	230.1139	-0.041437883	230.11353	16834	19515	18913	16912	27330	0	4445	14490	25778	5639	6452	10788	32658	8671	10262	5120	15785	35795	34861	4627	9609	30644	10836	16104	7477	0	1954	7590	12563	8519	22301	11815	28962	11650	10346	11019	21376	9280	20803	5865	7797	19947	660	0	0	5321	5352	0	16002	8883	17141	18739	26652	0	29377	9226	12229	27849	4186	7249	8539	4040	36769	25997	13650	35088	27820	22660	1351	1941	2136	13131	12196	7537	3864	9390	0	7031	8813	11774	6196	2468	3256	846	14831	11403	11871	27933	26100	119003	10970	13602	66632	5426	2707	0	19982	15305	12869	11855	10574	18987	8965	6220	3964	36668	10626	0	9750	64904	Peptide	0.44444445	1.6666666	0.33333334
18	C14 H15 O2 N1	230.11755	230.11783	0.021907162	230.11755	15690	13010	10456	13437	9559	3812	6419	10712	3384	21731	30742	6044	1803	6617	4815	15740	14616	6095	8883	29916	25774	18566	5305	13068	5445	31678	6382	31623	9982	9655	7742	11796	11169	10961	21818	8320	11845	3575	15463	25706	48347	5157	1716	445	858	12764	19925	986	14492	7260	17367	14503	7221	884	1934	1321	4722	13527	2901	20929	11453	15184	4846	4548	4973	7915	10109	20387	18086	27625	37264	8780	6415	8879	10180	11781	772	5884	9828	32793	6379	10657	10175	20324	2290	4633	5658	10211	8138	20074	25689	22738	16549	26952	19183	987	13779	8525	2996	2018	3931	14002	6247	13999	7354	10961	2670	1132	8989	3163	Phytochemical	0.14285715	1.0714285	0.071428575
16	C14 H15 O2 N1	230.11755	230.11783	-0.008702138	230.11755	18516	20068	17887	15298	19470	11305	9723	7529	5654	31566	38488	8765	17155	14810	8245	15205	16089	9654	7525	25712	41534	24517	7090	11892	8398	41572	10183	35616	9741	7236	10077	12210	14851	8477	44348	9328	15446	6235	20558	34813	65850	7899	1277	1097	843	14341	27763	1337	15859	9167	14667	16223	11377	655	4863	9781	8816	16848	5362	19939	12737	21715	12522	5552	6415	25330	11103	16807	25864	35787	53497	8623	8967	7202	12754	10554	696	5687	12933	40984	9194	16204	13506	29016	23427	8054	14504	14552	11799	27557	29146	26231	0	33526	41870	1008	17436	12309	9150	20596	31289	13013	8172	16975	7732	0	15517	662	13267	10577	Phytochemical	0.14285715	1.0714285	0.071428575
12	C14 H15 O2 N1	230.11755	230.11784	-0.005670341	230.11755	14878	14643	14125	14586	6918	5731	5809	8507	5028	24577	21434	5395	2317	4119	7152	21906	14290	9861	9897	33829	31068	22139	7133	10533	7187	25662	11026	13713	9419	13919	10737	10292	16030	10252	30140	11688	15119	6612	17363	16506	32669	8097	566	958	789	13709	19871	1056	19226	9229	11346	16071	9661	380	5536	3224	5911	15029	0	8898	0	7827	5538	3858	4279	6673	6780	15309	0	28622	35124	7370	7478	10787	17994	11733	586	4896	9564	16666	8229	9734	6353	13820	7943	4260	11311	11207	7195	22974	21152	11383	16491	16360	32922	732	15264	18121	3797	3960	3838	15050	7831	10848	0	10605	4835	952	10670	5014	Phytochemical	0.14285715	1.0714285	0.071428575
8	C14 H15 O2 N1	230.11755	230.11787	-0.038553268	230.11755	21279	30467	21017	22979	17876	13827	10500	19738	12312	58501	43151	12527	8867	17747	15325	39396	23735	15451	24223	69695	65936	18043	14283	31710	20490	45318	16668	52739	24250	16965	18075	29624	34660	27440	60444	23163	34674	15101	28840	33339	38093	15235	946	771	711	20889	22213	1066	31969	19432	25846	27083	18020	631	13578	6801	10478	35514	1378	7371	33800	11962	8214	10161	7431	15421	19341	32729	26298	49460	57984	23515	23275	16335	21710	21282	565	11034	16534	22364	11318	5898	4601	31536	8028	5277	19250	24701	19771	45513	30436	6029	41592	22610	43335	920	23681	23798	9721	5632	5466	34251	12718	12623	6291	26820	5775	718	16565	11194	Phytochemical	0.14285715	1.0714285	0.071428575
10	C14 H15 O2 N1	230.11755	230.11786	-0.025433881	230.11755	11842	18051	15546	16110	14386	9473	9129	14206	8859	27645	18427	9046	7588	9460	8712	22865	17697	15814	16857	35038	36877	13639	10411	18537	12251	25815	13204	22037	10808	11596	9137	12628	22093	12591	24978	14200	20354	9921	20484	22532	26570	9949	1119	802	505	11740	15526	825	17608	9107	18328	16853	12295	744	10309	5829	8516	24273	3320	10248	22238	5535	9155	7406	5429	9526	10920	26535	13705	30037	30733	11577	8889	6766	17206	11376	698	8290	13688	12114	8941	4974	4703	15737	8219	6850	13963	15061	9807	39073	18437	8604	26844	13905	25809	1310	18521	13540	7987	8212	6400	16741	8762	9254	0	19379	7703	716	12575	7967	Phytochemical	0.14285715	1.0714285	0.071428575
6	C14 H15 O2 N1	230.11755	230.11789	-0.066213116	230.11754	33371	36165	34026	34121	15848	22713	20228	41064	11630	90390	61087	15215	21997	19231	20385	63170	40097	21592	26871	89054	93643	18220	21842	46951	30861	48454	24814	64163	37190	25833	31171	38942	55361	42489	78859	34046	58475	18952	44930	34376	32451	27267	1289	710	720	32121	31991	748	47862	27358	36439	32745	23086	637	12910	10780	13482	66389	1122	8050	62869	18621	9206	10340	9598	19614	31398	59839	23576	58784	62537	26983	26023	22624	33053	29756	680	15180	23282	32494	19301	5959	4477	30713	8152	8907	31461	36230	29372	77328	51385	10877	64763	26764	59446	833	34274	31510	8088	11461	16921	53233	16765	20935	13371	49964	9858	719	21537	12384	Phytochemical	0.14285715	1.0714285	0.071428575
14	C14 H15 O2 N1	230.11755	230.11784	-0.003114155	230.11755	23406	19265	19350	19708	15267	7309	14521	13905	6747	46725	36436	14005	7900	5729	11182	18574	21210	11612	10587	50392	43380	34804	6736	19541	16650	49528	20254	25898	7859	14995	10967	16002	15688	15165	43917	14080	18548	8496	25408	44852	60590	10383	0	674	719	18428	21960	776	23957	13813	19332	19059	10456	414	5442	4261	9248	22818	0	20465	0	20445	7066	8187	7415	12547	14148	33366	23527	41762	85273	12961	14506	10226	14576	18106	817	9277	12577	23524	9174	14770	15754	30762	6803	6053	16207	15190	9470	43739	28660	21654	29098	30738	51964	941	17308	22247	5699	5276	5069	12789	10317	12633	0	21996	8459	819	16226	6393	Phytochemical	0.14285715	1.0714285	0.071428575
4	C14 H15 O2 N1	230.11755	230.11794	-0.059053756	230.11754	16986	20536	16089	18957	9018	9268	7967	15518	6485	65864	38092	9203	10252	6927	8673	21908	21253	12031	13813	56355	68424	20542	9766	18114	10941	33779	9450	50708	15257	9048	10040	12985	18261	13878	60367	14026	16524	8920	21135	32366	29855	11751	1015	710	763	21560	20717	849	17488	13329	17933	13850	10695	665	7145	3923	6800	18468	790	4649	18175	15512	6111	6611	4085	9378	11044	22020	23175	39882	55313	11541	9629	9670	15398	11166	587	8197	13286	43430	10508	5962	3670	27731	4778	5360	16019	12233	9897	37454	19434	6904	28885	27780	48183	1592	16820	18871	6318	5640	5447	18097	7916	11712	14060	16353	4922	807	12518	6168	Phytochemical	0.14285715	1.0714285	0.071428575
2	C14 H15 O2 N1	230.11755	230.11794	-0.048815716	230.11754	12737	12784	8268	10630	4895	0	7730	13681	3542	25713	14636	6750	4237	6946	7921	21448	13207	8136	8514	27179	26126	11855	7027	14311	8802	17314	9083	13598	12954	10931	10770	14865	15488	11875	21997	15617	15816	7176	14812	12221	11465	7824	847	499	823	7433	9134	595	16955	11542	9868	10629	6536	512	5403	2424	3524	17750	1256	3172	16223	5646	3660	3953	3894	5390	9403	17963	10185	16117	19355	12133	11915	13132	21862	13207	506	7582	7999	11304	7466	3697	3301	8943	2711	3445	9424	7278	8906	18590	12577	4965	21081	10212	22650	1095	9473	11771	3520	2957	2736	15509	7357	11623	4597	11212	2374	671	6882	4375	Phytochemical	0.14285715	1.0714285	0.071428575
0	C13 H15 O1 N3	230.12878	230.12915	-0.29479071	230.12872	6092	5777	5200	5586	0	0	4260	7976	0	1740	1932	3231	0	0	5001	0	5659	1473	1557	2251	1028	8288	5168	36125	8393	825	4544	7739	4150	3508	3145	5399	1704	5064	955	4993	5292	5218	3886	0	1074	2830	0	0	0	8092	0	0	8473	6750	3792	5082	1153	0	0	0	0	17072	0	702	6216	698	0	0	1033	0	1753	7920	262	1696	0	5237	3528	2328	0	4044	0	3213	8366	963	9489	984	0	0	0	0	8426	2952	3136	17726	0	0	23804	1270	0	0	5179	6188	0	0	0	3755	0	2251	0	9789	0	0	10608	0	Unclassified	0.07692308	1.1538461	0.23076923
14	C11 H19 O4 N1	230.13869	230.13898	-9.79E-5	230.13869	20316	25938	22298	23575	28247	32295	32949	38640	13187	8598	6139	18878	26943	122149	33331	32744	44196	34188	23855	11097	11180	8374	29862	19512	43693	13127	28778	20202	54880	42734	28233	45021	37411	38956	3473	44088	31114	23632	36425	3182	6035	30224	8298	1929	2439	9252	13487	3280	40172	29513	27290	22819	23096	3253	18069	18674	15452	49678	5560	31641	30711	3883	21501	12263	45696	31010	51926	33055	0	3066	1411	36462	41341	47671	37659	34630	1846	17220	12106	14683	10337	11813	28285	15995	17345	20729	29236	23242	27106	21000	34673	18515	20922	5508	9583	2935	22350	24621	15785	16507	26661	43584	18209	17891	0	29456	21904	2995	22982	12635	Lipid	0.36363637	1.7272727	0.09090909
2	C11 H19 O4 N1	230.13869	230.13905	-0.080119364	230.13867	206528	226944	191958	219340	281834	101736	91350	216058	172434	136282	37706	126258	323830	162563	91696	176010	75764	332818	275458	152318	176338	277566	108868	148104	80162	7533	30772	29292	242880	149518	226884	229880	368326	226534	202914	209698	348160	87382	206250	140264	92094	81073	1871	901	909	91130	73022	799	244734	115966	208200	217024	236214	903	216696	52828	69870	483368	29231	63200	201744	48534	354814	200170	97966	315978	237680	113903	15100	74700	25848	100983	217992	181936	33949	194160	921	102678	123302	27629	50238	20741	20772	26105	100112	32271	426544	157556	253052	808054	141470	290336	338494	77354	98694	1364	220238	201062	62643	63956	54865	258156	118854	150012	47090	253754	124024	864	100996	454704	Lipid	0.36363637	1.7272727	0.09090909
8	C11 H19 O4 N1	230.13869	230.139	-0.07286809	230.13867	68431	68601	47653	65003	56174	78020	87974	98029	43007	40223	20087	68617	57972	47549	94420	126571	129777	96643	103650	49930	44760	43517	87783	79629	74986	16786	61867	25121	161468	89493	72294	144618	129865	158867	48196	131901	117949	72641	130398	24728	29631	130453	5660	1229	1149	44402	36263	967	134688	96257	72627	68631	64021	20393	51130	32005	41925	105581	22228	43980	107585	13114	46525	36329	52894	85069	99553	123931	13345	18954	16612	103355	117688	100941	103188	126965	797	56680	56876	31541	54719	29763	37785	36662	64581	58113	88971	94659	120299	62383	43734	62321	67380	24038	49150	1947	64950	84698	35753	52741	75162	150758	63056	52132	10776	67915	55649	1022	71604	73406	Lipid	0.36363637	1.7272727	0.09090909
6	C11 H19 O4 N1	230.13869	230.13902	-0.07137411	230.13867	43562	47993	43756	40510	68211	36966	34778	37695	51029	34023	21842	27803	77061	32626	28404	55368	47321	70039	67122	33023	42901	46997	24825	29706	21617	8837	27155	16374	49818	36472	41307	41038	70012	41574	41633	43155	66598	23565	61277	19618	30734	38200	2473	869	906	26656	45157	737	52414	29783	44928	41595	49006	1610	56710	36254	24553	61562	20317	30305	49870	14484	62834	37749	22194	62009	46665	58653	11906	14225	24778	35631	36649	44339	29644	38597	763	24947	21726	14974	14294	20331	26447	18925	40508	27134	34486	35393	48700	54834	33130	53730	64713	18511	27588	825	39144	45709	27132	42308	52985	65326	28613	30840	14484	44824	46185	849	19317	100302	Lipid	0.36363637	1.7272727	0.09090909
16	C11 H19 O4 N1	230.13869	230.13893	-0.013638607	230.13869	9176	8173	7195	8091	7165	13852	13438	23469	2891	0	0	26147	7422	17421	16448	45461	17992	12405	9755	3492	4411	2922	9293	5844	9734	0	13663	6547	26724	30697	22777	20840	11470	23989	0	27897	13424	16508	17213	1584	0	10694	7373	4992	3975	2435	3224	4904	33443	30468	9011	9208	8955	5453	3754	4087	5519	27593	1702	2643	32703	0	2321	4173	13335	12058	21297	16882	0	0	0	23002	24570	26701	37712	25795	3524	21502	3961	9248	4521	4646	4916	3323	6555	9062	11150	12480	10286	0	13726	7617	0	2617	0	5500	8573	11054	5698	3979	5240	17376	21570	4605	4178	0	6892	4940	10846	3398	Lipid	0.36363637	1.7272727	0.09090909
10	C11 H19 O4 N1	230.13869	230.13898	-0.056107435	230.13867	84673	64738	78766	68704	82978	89876	143189	127877	44634	40386	33369	83692	83030	137850	126253	148157	196533	140140	109743	61006	46115	49694	107143	69809	150100	47837	123638	49261	166863	138494	69057	125199	110429	146868	45239	165429	119757	85832	148796	22981	22754	131560	15791	2793	2420	57095	41112	2950	111486	101703	81533	77682	73090	8874	53876	59543	47080	143312	37438	43264	157032	15457	74987	43453	109894	124006	152493	146486	22130	21368	19586	112224	140707	148149	124024	100046	2118	77502	77993	57187	41507	50646	213207	193211	172061	107870	208377	136296	82657	58580	93483	92883	67083	30138	49688	4345	73440	97970	49208	76232	139315	144647	61281	60666	18352	86492	77743	2746	92106	59485	Lipid	0.36363637	1.7272727	0.09090909
18	C11 H19 O4 N1	230.13869	230.13892	0.00593316	230.13869	1816	2087	3679	3506	3516	5277	7090	13325	0	0	2189	12772	2989	26830	15335	14124	6973	2501	3043	0	0	0	1486	2497	5445	0	5400	5927	9606	12099	15375	10131	6724	7622	0	8808	6478	12503	6605	0	0	6217	4002	2281	2579	1174	0	2660	12422	13562	3401	3962	3704	3117	0	3051	4903	14252	0	1847	12476	0	2862	0	15650	4169	13320	7847	0	0	0	10989	7864	13312	8815	8938	2502	10337	1969	4212	1542	2862	0	0	1369	6423	3135	3083	5889	4800	14608	16325	6930	1446	0	1843	3188	2823	0	1835	2369	5975	11710	0	0	3665	3293	2347	4329	2056	Lipid	0.36363637	1.7272727	0.09090909
4	C10 H19 O3 N3	230.14992	230.15031	-0.017319001	230.14992	10232	10922	11627	10355	3002	2411	12373	13263	3907	3065	2486	9974	2872	0	0	22036	30442	6131	8410	2742	2254	25216	17423	20822	17113	0	9385	0	11814	8604	9060	8718	12864	4568	5528	8993	9409	0	28000	0	1075	10917	0	0	0	10271	6132	0	13235	9194	11469	9775	6761	0	9959	1069	8481	28889	812	1222	19349	0	2322	6064	7207	5039	8094	22361	0	2459	0	3855	5420	5397	16103	8577	0	9851	23262	4086	13946	5317	2589	860	2239	8392	23514	7251	8268	58295	6596	3219	51165	3238	2295	0	9376	12224	3535	912	1516	11920	9462	2995	3799	26755	2942	0	23626	4638	Peptide	0.3	1.9	0.3
2	C10 H19 O3 N3	230.14992	230.1503	-0.06266168	230.1499	123562	134230	105558	121461	11960	34731	123658	300133	12561	16952	26124	140063	19316	41634	201892	197894	139836	41218	40293	16770	16695	120128	228798	150846	122101	950	74804	39608	183948	175325	227838	157508	116028	234400	25621	164067	67019	202590	167643	9180	7173	97192	0	0	0	41994	12228	0	309164	175237	124943	127976	58428	0	20000	5072	100990	365144	5398	6303	218675	4640	15049	28246	96652	82658	203483	204091	10408	38123	10652	216822	231920	258669	163958	276216	0	173703	395759	249809	178853	32595	19759	5866	8418	773236	287343	812173	249308	789698	91603	85213	592364	38535	18488	726	138352	141400	15946	5200	17894	72902	141140	27054	11398	273254	10904	0	184525	38406	Peptide	0.3	1.9	0.3
4	C13 H20 O1 N1 Na1	230.15154	230.15193	0.6671683	230.15169	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9395	0	0	0	0	0	0	0	0	0	1276	30694	15086	0	1281	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.07692308	1.5384616	0.07692308
10	C15 H19 O1 N1	230.15395	230.1542	-0.07498359	230.15393	5875	8091	4307	7573	1021	916	2683	20006	0	6619	5618	11345	0	2127	7202	12910	9743	0	2028	7909	5860	0	5322	13482	5536	5300	7304	4554	16793	22910	17706	22222	18046	16159	5388	23242	24093	8095	3119	1585	0	2122	0	0	0	2028	4626	0	25118	18552	5261	6138	0	0	0	0	1295	10425	0	0	14899	0	0	0	682	0	2862	18531	0	4053	5164	26316	21312	26401	19616	20461	0	11261	1543	0	4107	0	0	925	0	0	2346	1897	3521	7055	3642	0	7379	1764	2993	0	7757	7066	0	0	0	22390	11250	0	0	10918	0	0	2990	0	Phytochemical	0.06666667	1.2666667	0.06666667
24	C15 H19 O1 N1	230.15395	230.15416	-0.03380496	230.15393	2827	2207	2663	2034	817	0	0	4342	0	1837	3812	1560	0	0	0	7077	0	0	0	1478	1402	5737	2457	7280	1697	39406	0	4868	0	1907	3362	0	1143	0	0	2085	1133	0	1253	6282	9819	0	0	0	0	11610	9130	0	2494	3777	2459	1383	0	0	0	0	0	5628	5073	4124	3203	2797	0	0	0	0	0	0	23835	9020	15034	1644	979	0	0	1761	0	1483	0	6110	807	5351	1458	2993	0	0	0	0	0	4405	2848	2113	4753	9572	4169	0	977	1888	0	0	0	2252	1599	14858	7649	4952	0	0	0	0	Phytochemical	0.06666667	1.2666667	0.06666667
6	C15 H19 O1 N1	230.15395	230.1543	-0.017908543	230.15393	6779	4753	5177	7535	2962	3310	2057	3952	1193	32188	15933	1506	0	5834	1774	8873	4217	2820	3511	30614	35466	1698	2018	6116	3031	16506	2558	21591	4668	4792	4884	7555	6367	7886	33643	3377	6218	2807	4350	7554	1221	2460	0	0	0	4554	4974	0	6243	3878	3909	5553	3016	0	1296	0	613	5290	0	0	7573	4063	1131	982	849	2433	4368	9952	7434	13420	13879	5513	5617	4157	5643	4100	0	2359	1806	4889	2251	0	0	7983	536	1109	3396	3406	3729	9118	6317	0	6750	6190	20281	0	7798	5209	785	0	0	5497	1903	1810	0	5896	0	0	1638	1615	Phytochemical	0.06666667	1.2666667	0.06666667
2	C15 H19 O1 N1	230.15395	230.1543	-0.15255345	230.1539	22404	22118	23472	21951	467	0	16292	71337	269	22607	12107	27300	0	1011	37250	80202	34485	2681	4503	38103	28125	9246	13030	50335	19079	2454	27021	13420	47260	51779	46059	52141	34012	41568	19693	57375	40491	31761	34184	15440	5489	8316	0	0	0	8675	6967	0	70338	62274	20239	20230	3621	0	312	0	2754	45126	0	0	57033	5338	0	912	3138	1305	7232	42374	2093	4169	4184	44665	45798	64216	54098	46208	0	33372	12468	14903	15423	0	1266	11966	260	1588	10130	6195	8429	29163	29122	3280	53714	9201	26829	0	24204	25015	449	0	0	39840	24876	19383	2929	40735	264	0	14324	0	Phytochemical	0.06666667	1.2666667	0.06666667
18	C15 H19 O1 N1	230.15395	230.15407	0.006645327	230.15395	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6885	0	0	0	0	0	1526	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1759	0	0	0	0	0	0	0	0	0	0	0	5024	0	0	0	0	0	0	0	0	0	4477	47281	46591	0	5553	9560	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.06666667	1.2666667	0.06666667
22	C15 H19 O1 N1	230.15395	230.15417	-0.03668118	230.15393	2160	5071	3168	5232	1409	0	2266	0	0	6208	13611	3623	0	0	1380	3481	8598	0	0	5104	8328	3609	0	2072	0	59165	2180	13802	4133	3077	1978	0	2703	1711	1529	2056	3316	0	4025	10092	22853	1927	0	0	0	21906	47163	0	3936	2460	2509	3535	0	3488	0	0	0	3814	3419	12242	1352	10726	0	0	0	0	0	4367	48948	29320	43010	4010	3606	2858	2096	2205	0	4976	1219	12974	0	19790	4636	10891	0	0	0	1827	0	9134	4184	4696	2535	9627	8231	0	2606	5755	0	0	0	3190	6470	3254	21149	2505	0	0	1796	0	Phytochemical	0.06666667	1.2666667	0.06666667
4	C15 H19 O1 N1	230.15395	230.15433	-0.06906206	230.15393	19631	22709	21830	22344	1095	4075	10311	35714	726	43084	19251	13913	379	1248	12310	36874	24235	2644	5551	59535	64068	6292	9451	36002	11698	11925	15269	27954	28420	22266	28565	41332	30825	33467	47051	31803	28575	14216	21667	16898	2062	7225	0	0	0	8671	7854	0	41821	31095	19676	20474	3898	0	919	332	2853	35928	0	0	29704	5723	653	1793	1520	3844	6504	44951	4741	9261	14875	33134	35753	36029	45102	32369	0	16436	15093	10941	17211	0	537	14765	382	1727	12525	10003	9082	49738	14475	1425	45695	9804	25909	0	18431	21729	1018	0	0	30546	13868	7639	0	29298	381	0	11974	889	Phytochemical	0.06666667	1.2666667	0.06666667
22	C12 H23 O1 N1 S1	230.15732	230.15756	0.08996357	230.15733	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3779	27300	0	0	0	0	0	0	1593	2173	0	1019	0	1220	0	0	0	3095	7204	0	0	16381	0	14243	0	0	0	0	0	0	0	0	0	1961	0	0	0	0	0	0	0	0	2785	0	0	4533	0	0	0	0	0	0	16772	0	0	0	4217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1338	0	0	0	0	11405	0	0	0	3137	0	0	3023	0	Organosulfur	0.083333336	1.9166666	0.083333336
16	C12 H23 O3 N1	230.17506	230.17535	0.027354715	230.17508	19861	19081	22690	17964	4118	107453	165936	3516	0	8524	15468	2083	3935	578436	3004	4707	7904	2498	44021	12633	7262	3575	1670	5708	2300	82214	211681	21518	4858	4710	3336	3680	2803	1545	3212	6380	3284	1185	6590	9893	20535	99623	10200	1444	1703	12073	18075	1981	6505	7981	20086	19215	1495	2849	0	104779	100105	6831	4349	25008	69695	14429	67509	0	248168	7905	238275	17398	41907	35154	24789	4022	2728	5688	6003	7312	1578	0	0	32906	1093	24343	51399	781391	0	3193	0	5563	56172	0	9522	8293	0	6111	10661	2885	17786	27347	95057	0	0	5132	0	17888	8906	0	0	1317	1784	22092	Lipid	0.25	1.9166666	0.083333336
4	C12 H23 O3 N1	230.17506	230.17548	-0.08301063	230.17505	52832	53670	25446	25987	18572	25900	43235	36601	11163	13488	8805	20782	26556	22554	33572	59442	28512	17238	20271	14478	12941	19801	9736	25512	36388	4609	36911	10928	36793	104000	84958	35323	135365	31195	20173	38854	102934	17401	33733	8416	8932	14181	0	0	0	10600	12873	0	34478	37150	50128	48872	13615	0	14019	8650	9507	63782	2426	4341	57170	5234	18922	12221	36481	23910	14465	22648	5056	10506	10543	44631	106992	53387	25249	46200	0	26886	22098	10633	7245	7209	6919	7730	10301	8463	60765	9916	13006	30850	59788	40783	24225	9962	13429	0	24782	53928	10418	13714	15041	75354	22331	18374	7246	39306	10456	0	18075	22664	Lipid	0.25	1.9166666	0.083333336
6	C12 H23 O3 N1	230.17506	230.17542	-0.020725012	230.17506	11630	15325	12765	13818	10851	8102	39078	15282	5814	8935	5217	8394	12492	5803	5301	12051	21534	10372	10982	6069	6988	10560	3869	5566	6015	1969	35488	11804	18226	20395	17617	16987	52135	14905	11614	15645	53740	5273	38201	3200	3300	7685	0	0	0	5235	6786	0	14504	13304	13868	13629	7353	232	5317	5364	3276	15681	710	1754	10936	2069	8445	4994	5590	9527	6736	30286	0	2145	2858	13637	22379	18288	18585	20499	0	8723	4829	11849	4268	2988	2015	2525	0	812673	14348	6560	14505	19662	24603	12677	13173	3726	4578	0	12999	9949	4034	5491	8379	51404	8183	6041	0	11187	5300	0	8307	10463	Lipid	0.25	1.9166666	0.083333336
8	C12 H23 O3 N1	230.17506	230.17538	-0.029697558	230.17506	357491	371731	358053	336947	192825	300589	20337	14684	4416	4228	5030	20042	94236	1334030	12408	11378	9848	45925	219184	3222	3207	4555	2257	2792	2868	422	18046	8209	8550	19376	10016	9342	29083	11820	5108	11056	23535	15589	13323	2307	1375	329834	0	0	0	0	1997	0	16105	19436	335541	366098	82224	229	17066	1052233	1444186	8935	0	2190	12327	1226	4809	13134	9343233	58802	1156595	10773	0	0	1846	11042	19213	11738	13662	20132	0	4037	1506	3734	2211	1273	820	1487	1763316	17353914	5662	292995	289820	4407	19794	0	7634	1725	2387	0	269055	307624	648632	560806	2261232	26297	5685	3683	0	6167	3846805	2632	1984	4533	Lipid	0.25	1.9166666	0.083333336
10	C12 H23 O3 N1	230.17506	230.17531	-0.10782459	230.17505	4481	4411	5591	3353	1436	0	22414	8149	0	1536	2735	11556	0	0	3049	5527	9570	0	0	0	1384	0	0	0	0	0	20931	0	8822	12406	30311	11658	41324	10204	2570	11444	38489	3024	12259	0	0	894	0	0	0	0	0	0	11261	10037	4747	5659	0	0	0	0	738	5292	0	0	0	0	0	0	7488	1313	1827	10559	0	0	1373	15802	15373	8530	18386	13946	0	8082	0	0	0	0	1131	0	1151	7050	1020	8898	782	1285	3068	2166	0	0	0	0	5503	4368	1478	882	1746	38303	8246	0	0	1613	2064	0	779	0	Lipid	0.25	1.9166666	0.083333336
2	C11 H23 O2 N3	230.18631	230.18668	-0.094034955	230.18628	21484	20259	21162	19369	1568	0	22923	146933	1023	2388	2294	12003	3456	5079	86852	70329	142680	1726	2746	2649	1591	3105	42363	52350	134885	0	23245	7618	37940	34833	69774	26596	33203	30249	2360	37920	30830	76687	131504	683	718	20010	0	0	0	5721	759	0	24182	59452	19925	18975	5869	0	1193	0	9361	59851	0	215	65910	531	935	733	23489	5650	13225	150041	6070	5958	3185	26715	53557	53859	24752	51305	0	13687	6064	2788	18534	0	553	1360	901	28435	10053	34257	14927	23114	2220	2445	8901	567	1372	0	20403	25414	1812	0	701	31331	9698	2688	789	48672	1162	0	172656	3404	Peptide	0.18181819	2.090909	0.27272728
4	C11 H23 O2 N3	230.18631	230.18666	-0.0672875	230.1863	19646	21610	20307	21310	901	2505	14693	30365	3281	2526	4620	8757	1051	3591	0	39185	52228	3091	11294	1574	2062	4099	37581	37147	32582	0	59572	21190	16992	25003	91546	15594	40187	15816	3193	24190	27047	54853	86469	1365	1435	11008	0	0	0	9253	1575	0	19109	12219	23681	21393	5358	0	2600	1378	9602	47310	0	0	37480	1052	1950	1554	6954	3590	14882	112228	0	3335	2127	14307	100745	62198	43240	106605	0	11737	2954	24837	15974	1531	472	1548	4834	10770	4099	20145	22522	10350	14539	11261	6146	1607	1871	0	19765	23816	2925	1300	1953	50763	8882	2567	0	27449	3088	0	84719	6546	Peptide	0.18181819	2.090909	0.27272728
6	C11 H23 O2 N3	230.18631	230.1866	-0.06334391	230.1863	6639	7855	6544	5719	0	1989	6240	6007	0	2759	972	3357	0	0	5030	7225	27806	0	858	3252	3489	0	651	2989	8364	0	25662	4078	13721	19957	67303	11503	28078	9031	3229	19946	23429	4582	34665	0	0	14964	0	0	0	0	0	0	14227	3233	8918	7570	3678	0	0	0	2645	7214	0	0	11883	0	0	0	1697	0	15668	36218	0	0	0	3996	62927	40601	13291	77933	0	6687	734	0	816	0	0	0	0	5416	662	4207	16486	3107	0	0	1252	0	0	0	6203	6702	0	0	0	46660	4270	0	0	8611	0	0	10073	0	Peptide	0.18181819	2.090909	0.27272728
0	C11 H23 O2 N3	230.18631	230.18668	-0.23069133	230.18625	3957	5010	4488	3862	9151	114175	2407	5175	4494	4229	6960	1766	5096	6039	2023	2465	5785	13745	7630	0	1198	5518	3258	7162	2707	0	0	107306	9253	2349	6417	3739	9983	5371	3190	3931	4917	2424	8032	1080	1378	6638	0	0	0	1381	0	0	6394	2278	4533	4888	18002	0	2632	1770	2840	8135	494	710	3520	0	3780	1870	3979	0	21366	8197	427	0	0	2900	4609	2947	0	2254	0	2529	4974	51489	3321	616	0	0	2066	6791	4411	10652	7661	8387	51290	33255	8865	6329	0	0	3926	4298	2612	1394	3184	3448	0	0	0	7656	2931	0	3728	6111	Peptide	0.18181819	2.090909	0.27272728
8	C16 H23 N1	230.19032	230.19064	-0.06463758	230.1903	1321	0	0	1561	0	0	0	13099	0	1732	0	3618	0	0	3472	10373	1059	0	0	2528	1616	0	1824	8994	2352	0	1262	0	7582	9568	6002	8603	2980	7470	0	8850	3088	2516	0	0	0	0	0	0	0	0	0	0	8416	12069	1498	1320	0	0	0	0	0	3786	0	0	10935	0	0	0	0	0	0	2717	0	0	0	15154	14296	22129	4593	8967	0	3277	0	0	1080	0	0	0	0	0	0	724	669	1406	0	0	5806	0	0	0	1663	1237	0	0	0	2659	1972	0	0	6691	0	0	0	0	Lipid	0.0	1.4375	0.0625
20	C13 H27 O2 N1	230.21146	230.21167	0.08565239	230.21147	0	2096	0	0	1853	0	3938	0	0	0	0	2790	0	0	1540	7770	12727	0	0	0	0	0	0	0	1830	0	6484	2934	3612	0	2426	9007	2037	6330	0	6893	7831	1358	10839	0	0	33285	0	0	0	0	0	0	3747	0	0	0	1236	0	1888	0	1756	7166	0	1406	5400	0	0	0	5462	0	2222	12652	0	0	0	0	1634	0	17238	0	0	1049	0	1710	0	0	0	0	0	3337	0	8998	2103	0	2416	0	0	0	0	0	1547	0	0	0	0	5486	1789	1743	0	0	1363	0	0	0	Lipid	0.15384616	2.0769231	0.07692308
6	C13 H27 O2 N1	230.21146	230.2117	-0.00179905	230.21146	676	1035	1059	759	502	0	5287	866	0	0	0	514	0	1974	0	0	0	0	0	0	0	0	0	0	0	0	5124	0	3428	13335	2340	2073	3022	1146	0	2316	4128	0	0	0	0	0	0	0	0	0	0	0	0	1937	1138	787	939	0	0	0	0	0	0	0	0	0	853	0	0	0	0	0	0	0	0	1570	16981	21225	3320	22368	0	667	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	854	0	0	0	0	3461	0	0	0	0	0	0	0	0	Lipid	0.15384616	2.0769231	0.07692308
22	C13 H27 O2 N1	230.21146	230.2117	-0.033176966	230.21144	0	0	0	0	1318	1589	0	0	0	0	8549	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3260	42331	0	0	0	0	0	0	0	0	0	0	1572	0	0	19631	0	0	378	0	2570	0	0	1395	0	0	0	1483	0	0	2044	0	0	0	0	0	0	0	4870	0	1369	0	0	0	0	0	0	0	1155	0	566	0	0	2525	0	1324	0	0	0	1176	0	2149	1690	0	18048	8256	0	0	0	0	0	1646	3749	0	2994	0	0	1958	0	0	0	0	0	0	Lipid	0.15384616	2.0769231	0.07692308
12	C12 H6 O5	231.0288	231.02907	-0.020998975	231.0288	7054	7260	7163	8785	17423	10509	4235	4598	13706	0	5183	5935	15043	12094	7825	9552	4682	26976	30677	0	2274	5696	9343	0	2407	0	3030	0	3876	5622	5236	7604	8610	5782	3741	5377	8608	8567	7064	0	0	12758	650	351	976	0	0	1167	7093	4924	5218	8718	15107	593	17988	9647	8881	10817	0	0	0	0	32331	16454	8229	26119	13631	8613	0	0	0	3618	3954	3544	5772	5745	532	6936	10597	0	8595	1364	0	0	11595	10876	9699	13759	16060	5939	0	0	4532	0	1722	1286	11767	8171	12173	12701	10948	7970	7355	0	0	7025	9478	679	4420	18090	Phytochemical	0.41666666	0.5	0.0
14	C12 H6 O5	231.0288	231.02907	-0.040498476	231.0288	2701	5449	4743	7862	20896	14331	3985	2966	14432	0	2557	3536	21444	12756	9167	5480	4382	31085	27642	0	0	4376	13050	3490	7004	0	2525	0	6326	2010	3215	0	7740	5413	0	2951	7377	6368	3331	0	0	10882	0	466	946	1581	0	981	3424	1961	5108	6387	11709	922	17246	6520	11508	9632	0	0	0	1222	24265	14449	9191	26216	13347	5166	0	0	0	1981	3588	2301	2160	2425	703	4631	11818	0	11592	2498	0	0	15307	11918	14775	14494	21058	9426	2757	2528	8125	0	3493	1381	7245	5425	10360	14542	11865	6901	5939	0	0	6884	6561	628	4897	21195	Phytochemical	0.41666666	0.5	0.0
12	C8 H10 O4 N2 S1	231.04341	231.04367	-0.019613845	231.0434	8137	8600	6763	8350	2656	1501	5896	7840	0	0	0	5339	0	1219	1144	18151	16746	3581	1558	1871	0	6912	2143	9911	7841	0	6451	0	5591	12340	4487	17626	7129	22887	1377	14980	15738	2402	18834	0	0	2589	0	0	0	0	0	0	19136	10884	6342	6678	3723	0	0	0	835	30340	0	0	16791	0	0	0	0	2102	1677	19516	0	1222	0	14841	18466	8815	24598	19704	0	2516	4790	0	1723	0	0	0	0	2067	2820	5153	2161	17227	0	0	15906	0	0	0	5331	8762	1601	0	0	16865	2719	0	0	12044	1101	0	4546	0	Peptide	0.5	1.25	0.25
10	C8 H10 O4 N2 S1	231.04341	231.04367	0.117152646	231.04343	0	0	0	1265	0	0	1586	0	0	0	0	0	0	0	0	1697	5229	1418	0	0	0	1913	0	0	0	0	1354	0	1019	0	0	0	0	0	0	0	1983	0	5165	0	0	966	0	0	0	0	0	0	0	0	1348	1108	0	0	0	0	0	1429	0	0	0	0	0	0	0	0	0	5714	0	0	0	0	0	0	2832	0	0	0	0	0	0	0	0	0	0	0	0	976	0	38937	0	0	3164	0	0	0	0	0	0	0	0	2131	0	0	0	1664	0	0	1631	0	Peptide	0.5	1.25	0.25
6	C9 H10 O7	231.04993	231.05026	0.029424505	231.04994	2785	3415	2677	3830	14130	5823	758	0	9264	0	0	859	27897	9055	936	0	1429	13427	12851	952	762	1360	1940	1804	0	0	0	0	0	1692	1766	0	2194	1968	1011	1609	2372	965	899	0	0	4110	0	430	509	0	0	396	1159	0	3790	1508	6705	759	8081	8950	2874	1084	0	0	1711	0	22110	7554	3870	17715	4073	0	0	0	0	2584	1549	2212	0	1515	344	1665	1241	0	1411	357	364	0	12110	2421	1416	4360	4195	0	0	0	1266	0	0	577	1885	2095	5115	10188	11897	2282	1087	0	0	1494	6893	491	0	20890	Phytochemical	0.7777778	1.1111112	0.0
10	C9 H10 O7	231.04993	231.05023	0.027963288	231.04994	3182	2269	1844	1907	11551	7022	0	1384	12015	0	2383	1612	20048	9094	1296	0	1774	12395	10800	0	0	0	2656	0	0	0	0	0	1600	0	1910	2277	1780	0	0	0	3228	670	1552	0	0	2950	793	0	1041	0	0	938	0	0	2004	2749	7358	1086	5533	10561	2883	1346	0	0	0	0	19228	12160	3511	15862	5099	0	0	0	0	1030	0	0	0	0	757	1613	1786	0	2230	0	0	0	10410	4555	0	4438	4162	1482	0	0	0	0	0	813	1343	1931	5159	9356	11453	2820	1506	0	0	2070	6905	879	0	24188	Phytochemical	0.7777778	1.1111112	0.0
8	C9 H10 O7	231.04993	231.05022	0.040549923	231.04994	2327	2172	2238	4339	12852	5578	1144	2269	10009	0	0	1743	22848	8234	1723	1721	1674	12011	11414	0	0	0	2468	1219	0	0	675	0	1094	1012	1904	0	1833	1121	1758	0	2577	1449	1142	0	0	4186	548	485	716	0	0	549	1957	1050	1855	1942	7075	837	9706	8158	3543	1028	0	0	0	0	21737	8452	3266	14211	4695	0	0	0	0	2029	1415	1137	0	863	732	847	2254	0	1822	753	0	0	11225	3871	1842	3423	5467	0	0	0	1348	0	0	770	1175	1585	4761	10889	12113	2218	1253	0	0	1655	6712	388	1140	28287	Phytochemical	0.7777778	1.1111112	0.0
10	C13 H10 O4	231.06519	231.06549	-0.006910379	231.06519	76732	76028	56139	65007	91044	57677	49296	48209	102626	84218	61701	49690	105810	54856	51438	66175	59084	141436	131555	73345	79081	94307	60079	63344	39339	33120	42101	48600	51815	45366	44112	52334	84121	38310	104300	45501	68143	49374	62153	60450	73275	60570	17427	12351	17186	52044	45948	17179	49066	41063	69933	73409	78164	13082	116712	78872	53246	85100	46655	48449	76532	41016	104876	95473	45716	103166	52487	62312	49225	48234	65319	40329	44727	40698	57205	55458	12283	40370	69576	40237	61359	52660	40281	31869	97485	61941	75957	65503	82405	72637	51880	56230	73922	62671	77978	17782	70991	70339	84925	96627	93478	66231	57239	55431	27799	52738	71424	12952	49244	115867	Phytochemical	0.30769232	0.7692308	0.0
16	C13 H10 O4	231.06519	231.06546	-0.010853493	231.06519	107700	126809	97926	99341	160312	122913	85690	94098	139193	82114	71562	75124	191116	129028	94423	132596	114993	259915	247728	90934	81508	112168	106821	99760	94163	42297	81210	76329	98051	84587	83394	119869	150255	86783	130000	89548	149338	82277	117909	69646	61460	121455	17540	12518	19535	64393	48690	18938	118861	70224	113637	116008	142524	13309	138327	103872	94626	157432	55336	48573	128578	38481	182892	126263	70972	208768	138294	94137	47828	70507	57303	79236	89224	73189	88881	115765	13568	66436	122538	76669	85354	63363	46012	54373	135745	92622	143241	145154	145252	148461	101248	94491	142003	66706	87632	22254	99211	109920	112379	117949	135486	146539	77886	60749	45489	107358	102728	13430	90366	191087	Phytochemical	0.30769232	0.7692308	0.0
14	C13 H10 O4	231.06519	231.06549	0.001521672	231.06519	127834	120986	110078	115046	171923	129962	96498	98929	154996	97215	95930	79300	197479	145729	112824	142628	118951	296732	249941	106220	106018	133937	114944	111147	91118	49473	90774	80150	113600	96531	83967	115535	162981	98762	143949	110518	154977	95727	114430	88038	92310	125977	17351	12199	13753	80512	67420	18579	114788	73866	116042	124262	164530	12904	176842	119975	100195	187379	71242	58119	130270	56686	187869	168666	96493	209477	137952	116822	45434	79914	72574	82966	94722	77684	80810	104544	11460	78980	149897	104876	105475	77179	57688	50842	147985	97264	173295	171962	172201	165796	114379	81615	173026	78570	105310	21892	117310	121775	128950	154359	160693	131761	94681	84598	50119	117411	109890	12049	98777	188820	Phytochemical	0.30769232	0.7692308	0.0
8	C13 H10 O4	231.06519	231.06552	-0.012789349	231.06519	49416	51032	30478	44150	55833	35303	27347	29552	67794	48151	45519	31896	68106	36956	32807	37819	37930	66973	84585	45248	41509	53938	43436	37918	21141	21312	26894	25376	34333	32321	28379	33349	42569	29240	70751	25883	35719	30548	46545	38879	51124	42255	12513	9190	15825	36648	35140	14348	37585	28728	39531	44855	50885	9354	77536	58495	49041	38962	25921	34075	41058	26169	73069	65144	35468	61425	34358	46581	45901	31965	49622	28504	27575	23740	27094	39218	11082	29190	49112	26655	42312	36205	26227	23425	54845	35940	47810	40774	54716	46692	23776	34322	39960	43746	44935	16219	39768	47138	63715	74453	70008	39756	36504	36332	20586	32141	46451	9922	32499	70255	Phytochemical	0.30769232	0.7692308	0.0
12	C13 H10 O4	231.06519	231.06549	-0.009333631	231.06519	107096	125047	91836	108665	127494	86000	88464	73971	139589	97552	72132	60447	136823	86834	73127	116662	99615	212889	233527	102505	104147	131276	97190	76152	68828	39163	73615	63700	76432	68245	71147	90232	134423	74337	140067	76477	108688	79857	102400	82067	93085	90047	13759	12456	16357	68833	61726	19318	101078	64788	109180	114069	119498	11069	159191	97794	85493	130199	60541	56712	99416	54669	185792	136457	72174	161982	99066	101278	44358	75004	66793	67146	73075	66679	78502	82272	10536	65659	103266	51133	92237	67732	56010	46655	118311	86499	113448	96289	122865	139843	86788	90944	119333	83498	97313	18460	107654	121644	120912	117958	120132	106035	76967	71655	52824	89052	97276	12600	68065	184702	Phytochemical	0.30769232	0.7692308	0.0
18	C13 H10 O4	231.06519	231.06544	0.003636765	231.06519	77971	73079	65859	70417	103774	84249	56309	66144	89515	61812	46228	42395	141862	83653	66062	78236	62471	167855	165387	64190	55667	72720	78424	81517	59978	28763	52005	56740	62634	58159	57162	59795	93894	60272	69904	63488	94660	51940	63903	53820	36034	78887	18550	11399	18379	49798	42675	16713	66525	50806	73200	77733	86403	12721	107025	69140	70338	101414	34328	32192	83381	30495	138899	83229	54689	132573	91472	62829	30823	43785	38764	54850	50016	49673	46650	70313	12553	46858	90080	58589	77004	49070	34223	29907	98807	80243	105411	103516	98071	75333	72649	66324	90460	39732	49957	21499	72794	70280	78662	80128	79131	86145	42972	47949	26908	62064	59879	13356	59265	130431	Phytochemical	0.30769232	0.7692308	0.0
10	C12 H10 O3 N2	231.07642	231.07672	-0.004213384	231.07642	26428	23185	21577	20110	14071	14629	23019	29260	10270	19444	12654	19213	14374	7659	18702	47107	39274	25269	31055	11583	14274	40262	24132	42210	20248	5914	23177	10156	27240	22034	19373	26420	43312	25623	13638	21573	35165	19204	53078	14639	21782	14837	842	768	861	12974	8295	1031	30339	18515	23974	19056	17722	891	12894	6026	9289	52372	7881	13856	46904	8150	12321	13076	7912	18701	15368	52310	0	9673	7744	24675	20116	13528	30242	22588	666	16036	30292	12492	23157	12870	10614	6009	10987	9565	33864	28070	21537	94284	19340	11168	75917	13672	17556	1155	24755	20041	11798	7618	9271	28895	18478	13027	0	43374	9509	1030	24651	21220	Unclassified	0.25	0.8333333	0.16666667
6	C12 H10 O3 N2	231.07642	231.07677	3.70661E-4	231.07642	23794	24061	18965	21248	13393	11449	20591	25001	13147	17575	16318	17184	10062	8343	19210	43562	34252	23629	27786	11422	13386	25781	20641	38077	18545	3798	17255	12831	19010	19133	20983	20864	32675	23018	20264	19003	31806	21558	48652	8288	14280	16247	778	592	697	11924	9635	752	32924	22958	20609	23316	16645	695	12789	6780	11564	40546	4844	11335	39169	5980	14895	12453	7499	15916	16845	45553	4584	7207	8143	21073	15880	12249	18995	19896	400	14268	24734	7601	18977	8283	8167	6597	9528	11056	24239	25295	21893	81326	9328	12093	71642	13273	12863	698	22075	18894	7294	7618	8506	32583	15020	9291	7450	39106	8189	559	23535	16564	Unclassified	0.25	0.8333333	0.16666667
16	C12 H10 O3 N2	231.07642	231.07669	0.048982	231.07643	4520	4526	3090	4230	3636	5368	8335	7617	1935	2676	3850	3849	1756	2924	5695	6359	9491	4347	5067	0	3181	9571	5683	13839	6872	0	4930	2918	3331	2910	5058	4800	9949	4389	2659	6685	9911	5696	15311	2446	4058	4192	747	663	807	2388	2343	1326	10890	5175	3067	7008	3911	1212	2673	0	1792	12192	0	4494	7407	1508	0	1883	2744	3354	6237	14135	0	0	1521	7042	3442	2689	6001	5451	624	3756	9572	5097	7799	2779	1971	0	1293	1907	12318	7356	5195	42171	5407	3592	0	3876	4255	937	3852	4328	1614	1547	1671	7064	3908	2397	0	16931	1079	1181	9083	2806	Unclassified	0.25	0.8333333	0.16666667
14	C12 H10 O3 N2	231.07642	231.0767	-0.018028572	231.07642	19169	19702	20580	26843	16156	12382	23409	31545	6077	6170	8900	24053	7649	6482	14111	50520	34291	18295	23439	4720	6022	41067	20086	48943	17408	1798	21676	0	18575	18260	21259	29600	28282	24481	10435	18634	25778	19314	52607	7234	16809	16214	0	847	686	9061	6148	1274	27906	18018	22526	19604	14256	886	4882	2861	10010	55255	0	9445	43013	3510	5413	8132	9319	19472	18918	50749	0	4623	4764	24319	19426	13460	29882	20264	635	14704	43805	15198	29700	6683	7770	5285	3400	6053	59378	29229	24200	185912	18625	12073	91659	10292	11546	1295	20306	20804	5560	5844	6199	22394	17251	10773	0	51990	5697	1048	37665	16378	Unclassified	0.25	0.8333333	0.16666667
8	C12 H10 O3 N2	231.07642	231.07675	-0.003055741	231.07642	24730	23405	16084	22227	16395	11759	17525	21415	14217	13799	15573	15606	12489	6470	17076	40339	35704	22579	34412	13684	16394	29285	18971	36477	19216	6942	19889	14817	18943	17095	15893	21378	29920	20483	17155	14312	30789	18951	45330	15536	22648	18735	1247	502	727	13283	11350	676	26559	17653	23073	22404	16694	850	14396	6307	11089	33566	6638	15973	31040	8445	18368	15359	8063	17847	13950	42781	6373	7504	11993	16691	14308	11042	20005	18986	650	12347	36064	12728	22033	8325	10846	10853	12768	9481	41734	29391	22528	88609	11688	13707	65755	13605	18887	1047	23380	21170	9622	9591	7906	24009	16209	13226	0	35103	8067	551	27708	18939	Unclassified	0.25	0.8333333	0.16666667
12	C12 H10 O3 N2	231.07642	231.07674	0.009244873	231.07642	11250	15308	15820	21085	11092	10661	17811	24310	6453	14014	12407	16015	8692	5796	14972	29555	31366	17106	20364	9138	11912	30241	21678	30442	19098	1942	11425	0	18455	18812	20722	16944	27552	18323	15041	15133	24577	14685	47765	9800	21140	14485	796	992	1091	13491	10105	1033	25204	19611	16773	15120	17666	973	7958	3591	10347	31356	5408	13437	21083	6473	12944	7636	8525	15642	14236	41986	0	6491	10078	17887	18153	14530	23798	17164	450	13855	24158	16844	19448	11711	11730	6630	7473	8372	29090	20150	16548	77541	13015	18660	56393	14069	18203	1168	19249	17612	5013	9124	7616	23861	14445	9172	0	34355	4632	533	24212	13574	Unclassified	0.25	0.8333333	0.16666667
2	C9 H14 O3 N2 S1	231.07979	231.0802	0.022853928	231.07979	18924	19907	20101	17736	10181	0	7633	50973	7024	2645	4629	31385	8490	5230	38064	37410	50316	20271	13424	3078	3800	12339	20373	12795	7027	0	5597	2226	16405	28447	36287	18937	19660	15486	4762	14391	23556	37917	54108	1989	2767	10781	0	0	0	3391	2243	0	44595	57477	18577	19254	14349	0	6745	3015	9128	35737	1848	2241	39731	1313	7587	8753	11450	13831	15532	92736	987	566	2441	34855	11572	9432	12740	16694	0	25919	9946	0	8524	1915	1587	908	4869	8680	9197	24300	19829	19271	6064	4205	22826	1966	1123	0	17296	18056	7114	4326	4963	12264	31306	3321	1188	97386	5796	0	10881	11663	Peptide	0.33333334	1.5555556	0.22222222
4	C9 H14 O3 N2 S1	231.07979	231.08017	0.025070755	231.07979	19013	19900	19406	18321	997	784	1524	187508	761	0	0	2325	1239	0	1412	150390	20092	1876	2017	1389	2485	2768	3031	216717	3578	0	1104	0	71081	20742	121960	27807	40116	27282	1569	67853	35531	2709	27068	1649	1710	1867	0	0	0	45078	1220	0	47145	69186	17404	18112	1721	0	527	542	769	123865	1108	2265	128817	0	804	363	1138	784	1782	22198	0	6383	0	35160	22972	18840	42393	19588	0	1500	2568	0	3272	715	1303	466	1088	1190	2060	2512	8494	8466	2013	2390	5778	688	0	0	16036	22409	1001	933	919	41495	2423	3379	0	16648	956	0	3201	940	Peptide	0.33333334	1.5555556	0.22222222
12	C10 H14 O6	231.08632	231.08661	-0.019644098	231.0863	28229	37976	31351	30511	84630	77334	26071	36251	97154	7814	12025	18419	121888	109890	41455	25511	29828	122373	104097	11721	8476	11010	38078	12231	22862	3622	21916	29308	51338	29477	39494	38436	64290	43963	19436	41612	56293	35951	28818	3563	4268	59228	6691	3441	5394	13243	0	4999	33950	19870	33518	32543	72567	4249	103396	44410	40960	32169	7947	6712	39325	3966	108430	69788	38360	112694	85320	22739	0	7393	3356	29841	39769	47951	24183	35933	2930	35118	19473	0	19683	8731	14333	8297	52869	45412	23127	39975	62088	11336	18738	25432	20347	9319	5662	4844	29192	40346	51813	60105	62484	46361	28266	6966	0	28330	63515	4284	15502	134143	Lipid	0.6	1.4	0.0
6	C10 H14 O6	231.08632	231.08665	-0.08560591	231.08629	25721	28142	26874	28889	60446	33383	23079	23817	61259	11164	16364	15592	104238	45030	22937	27989	25450	90392	81441	14049	16753	12037	23158	20637	12670	3570	17798	13750	33118	25948	23935	30940	44158	36149	13900	31446	39325	18368	31580	5549	6749	41890	4541	1494	2753	13320	9546	1853	28067	20074	31279	31560	46634	3512	70537	48605	24437	32721	11386	10699	29543	4046	82919	43293	25475	75806	44653	28458	3726	4617	6140	29173	30449	32674	17872	24062	1725	18720	13772	15525	11662	8759	19613	11348	58855	33882	20734	35109	49772	15472	14280	19745	18782	11172	7642	2359	29549	32671	33498	67210	88618	38981	18765	13854	7904	21700	50868	1527	12765	99047	Lipid	0.6	1.4	0.0
8	C10 H14 O6	231.08632	231.08664	-0.048875242	231.0863	45380	45600	34647	47494	115939	70156	31487	33394	95631	14866	30499	24378	169475	86265	30587	35619	45334	125629	119735	17875	18285	18222	29472	22032	18143	4487	26509	28055	43197	39085	37110	47702	54231	47887	19331	49839	65776	24228	47311	9690	7919	69196	5366	2442	4008	15181	10167	2715	41146	29424	43040	40337	89757	4043	99423	72101	47553	39305	11581	14145	31372	5164	119384	85383	58383	137179	73024	39238	3551	5889	4175	35593	46155	45450	37236	42405	2392	26953	21578	31568	21132	12847	20189	11015	101964	48199	33509	56925	70260	19442	19927	24862	20935	17770	7339	4185	45466	52840	70845	139230	155144	56462	25470	20067	6291	25973	117545	2542	16800	135560	Lipid	0.6	1.4	0.0
14	C10 H14 O6	231.08632	231.08658	-0.002899213	231.08632	14183	12476	10770	15101	26724	31053	12255	17761	37174	4386	6874	10163	45552	35533	19112	9091	14992	39864	40010	6622	5028	8532	12644	10821	12487	1397	9820	7530	22742	14674	15985	21858	27968	17866	11065	20004	23439	15151	13873	1334	0	22159	4158	3278	4478	5251	3851	4514	15252	11797	10946	14994	30164	3931	46109	21401	13724	15303	0	0	0	0	37189	25544	18521	41466	31328	11767	0	2722	2003	14701	21007	24647	9364	19446	3596	17868	10401	0	8707	4034	6228	1693	21455	14318	15875	14322	27085	10577	7055	11538	11584	3133	3818	4535	14640	24353	18935	21794	23169	23375	14803	5128	0	14903	19301	4148	7613	39022	Lipid	0.6	1.4	0.0
4	C10 H14 O6	231.08632	231.08667	-0.12753832	231.08629	11362	14654	11792	10473	24612	14242	8162	11416	22291	5874	7630	8022	40364	18055	7774	11238	13402	40048	27514	6965	6685	8370	9370	9581	6484	2297	6386	5421	11721	12710	11958	13423	17024	18043	8332	14947	16369	7824	14820	4253	4083	18950	3853	1601	3157	7025	6495	2431	13052	9516	13021	9124	21318	2548	22797	23646	11836	12266	6355	5021	12709	2244	34693	21058	13344	31258	15184	13468	3237	2807	2777	16181	17218	21784	7272	12978	1726	9768	6054	8744	7693	4555	6789	3371	27800	13588	7818	16319	19563	8748	9675	6140	10389	5045	3955	5553	9895	15416	18128	41501	43077	18032	10665	8517	5223	8706	22064	2157	5962	78752	Lipid	0.6	1.4	0.0
10	C10 H14 O6	231.08632	231.08661	-0.03277936	231.0863	58608	51068	55484	49132	167095	108984	39666	50753	156227	23079	30342	29591	266475	161830	55299	52794	35283	193185	172139	30094	21642	24194	59491	27849	34149	5640	34077	35200	75019	63923	58952	71741	90361	70472	25577	75385	93419	43551	44699	8581	9234	98537	13082	4230	6138	16488	8786	5094	61693	41323	64459	57592	130465	6828	160427	84626	49800	69047	14565	10604	68918	3946	170262	121081	67248	212091	128783	36535	0	9776	5801	62231	71672	85991	33496	62790	3667	39695	23163	25852	22438	13258	28992	15070	113935	80325	33790	64193	97684	22460	36167	42087	30669	13167	10268	6325	57865	62643	81079	114587	127106	78984	45135	23236	0	39889	101760	5293	23150	196465	Lipid	0.6	1.4	0.0
4	C9 H14 O5 N2	231.09755	231.09793	0.04751647	231.09756	10699	13243	11122	10267	10671	9028	5113	9755	12380	3103	7209	7239	10758	5630	7720	11492	18624	15193	12436	2914	2547	7906	7082	9036	5503	502	5089	35533	8373	6769	8909	9929	13288	9451	4478	9531	13729	8453	20065	1434	2513	9653	1117	487	657	3477	3963	3243	9076	7265	13125	9271	10400	644	12910	11156	9613	11581	4192	4239	9804	895	9987	7604	8633	10878	7168	14913	0	0	0	8387	8734	8938	5073	8159	376	6298	6717	125367	8046	2996	3564	1076	11171	9898	7533	13022	11115	14567	203598	42849	17821	17776	4688	654	9991	13297	10010	9161	10863	10827	8442	5543	0	9902	13110	4053	5557	16786	Peptide	0.5555556	1.5555556	0.22222222
14	C9 H14 O5 N2	231.09755	231.09773	0.027367266	231.09755	0	0	0	0	0	0	0	0	0	0	2121	0	0	0	1169	0	0	0	0	0	0	0	0	0	0	0	0	7427	0	0	0	0	0	0	0	0	1673	0	2510	0	0	0	0	660	582	0	0	554	0	0	0	0	0	609	0	0	912	1788	0	0	0	0	0	0	1102	0	947	0	0	0	0	0	1923	1186	0	0	373	0	0	0	1134	0	0	0	0	0	0	0	0	0	24577	4094	0	0	0	572	0	2611	0	0	0	0	1327	0	0	0	0	689	1358	0	Peptide	0.5555556	1.5555556	0.22222222
0	C9 H14 O5 N2	231.09755	231.09795	-0.15824586	231.09752	22161	24348	18941	22359	38045	61516	2959	33658	17567	8484	20158	8668	43757	35196	5806	0	6814	58766	45284	4893	10363	28274	12768	24111	12679	0	0	38039	52484	12732	34683	33349	76971	39895	13448	29001	35110	6061	10096	4545	0	41295	0	0	358	8339	0	373	37621	13590	23355	20930	46494	1065	17998	7297	5197	53521	2457	1326	9004	0	64811	19247	9080	38864	73022	10681	499	5701	0	35347	49787	21461	0	30158	329	9689	7153	46106	6520	1356	0	0	6128	5799	12261	30806	50494	9060	277382	103730	32069	30313	2296	695	22292	25144	6352	5197	4334	25769	5847	5705	0	42973	6196	0	6991	99361	Peptide	0.5555556	1.5555556	0.22222222
10	C9 H14 O5 N2	231.09755	231.09785	0.14401998	231.09758	550811	522332	438691	458389	484195	307968	414484	511568	493651	462110	371587	371591	431067	281309	405970	577357	494409	535136	573628	578186	602232	563648	416229	541008	345361	605424	419995	332161	461743	443024	424793	481286	597920	378940	567842	450359	531699	382551	598022	485330	516802	381226	79864	68385	81342	407700	395072	87017	478253	395698	495508	511502	421574	61975	612097	430834	301574	688303	369410	445884	608310	283116	429792	464819	233876	477917	328279	587997	590270	654580	725716	365634	383028	402276	447853	493740	72064	308078	582361	337469	529484	410255	462342	336016	547599	373199	550979	354901	408318	623461	578137	456862	537064	352419	475452	83978	458940	482685	457211	576196	581632	518236	405223	494682	340188	393040	433153	65080	368388	485078	Peptide	0.5555556	1.5555556	0.22222222
12	C9 H14 O5 N2	231.09755	231.0978	0.22103004	231.0976	1563	1701	0	1338	0	0	0	1831	963	0	0	2334	0	1041	1422	1761	0	1475	0	0	0	0	1224	0	0	0	1219	8766	0	1619	1725	2091	2634	2149	0	1316	2083	1432	2073	0	0	1281	0	538	627	1396	0	458	0	1944	1714	1970	0	672	0	0	0	0	0	0	0	0	0	0	1131	0	1229	0	0	0	0	2668	2239	1891	0	1725	0	1347	0	0	1166	760	0	0	1035	0	2607	2223	1623	0	45894	11761	3295	2718	1224	490	0	0	0	0	0	0	2345	0	0	2428	0	382	1796	1127	Peptide	0.5555556	1.5555556	0.22222222
6	C9 H14 O5 N2	231.09755	231.09792	0.06822595	231.09756	16264	17609	15544	16991	12070	11964	10964	12546	13870	5091	13260	10108	15071	7526	13184	18647	18518	19789	16638	3383	2767	10526	9864	14437	7913	0	8746	61559	12364	11845	13538	15122	17953	13636	5603	12768	16649	11801	24006	1450	3849	11843	0	342	450	4215	4448	392	13200	11470	15436	16564	13087	654	15972	8984	8879	14319	4646	6408	12436	0	12059	11492	8783	16564	11722	23891	0	0	0	11820	12275	10754	8257	11236	310	8275	8433	81442	7825	3879	3753	0	11345	12098	10699	12895	12688	24686	232049	67909	23002	19609	6433	452	17052	15369	7747	8992	9449	18755	12411	4483	0	13774	14703	337	8148	24696	Peptide	0.5555556	1.5555556	0.22222222
8	C9 H14 O5 N2	231.09755	231.0979	0.10050826	231.09756	7872	11347	10708	9561	6944	6129	7958	6784	7951	1914	10754	6407	7652	4870	8388	8346	10979	8062	7765	2295	0	5076	7683	6951	6485	0	6495	38280	7304	6780	6765	7465	7895	6022	1750	7351	8031	8450	12555	0	1609	6132	0	379	607	2140	1425	404	7868	6840	7789	12671	6162	580	6802	3874	6217	7213	2595	2094	8494	0	5055	5936	4243	8412	6921	11936	0	0	0	4761	5775	6365	6208	8623	254	5951	7908	56832	6087	2418	2772	0	3582	4451	8207	5400	5289	15876	142799	42175	13151	13179	2613	447	10595	8718	3987	3961	5366	8748	7399	3241	0	6980	8359	440	4802	8966	Peptide	0.5555556	1.5555556	0.22222222
18	C14 H14 O3	231.10158	231.10182	-0.05021682	231.10156	489807	509481	402577	414422	531877	413784	376639	476905	385319	493840	363372	305343	590835	379072	392359	531865	423754	692111	715596	567931	493513	475761	385536	473889	335187	320938	346554	369806	466428	409148	404935	490772	655421	445556	514312	451517	606669	342729	453785	414872	364819	424427	55185	31458	44040	325034	301563	42333	507982	377625	457823	457671	483517	35781	495413	385411	341527	595855	297470	298782	489462	272222	550292	411569	283759	602573	497414	481104	244457	381383	354534	389670	333513	400709	378346	477731	34068	290750	456073	348408	372299	291617	311783	278054	483706	388856	499429	477229	511563	532925	518682	485054	597241	290632	435706	53665	441798	435202	398572	446898	475732	570000	305004	441536	184735	389295	338785	36135	381388	497023	Phytochemical	0.21428572	1.0	0.0
22	C14 H14 O3	231.10158	231.1018	-0.034987107	231.10156	177725	209947	151449	173706	241612	196727	127222	193249	198135	170666	119162	128134	182031	191755	168127	208183	148401	301219	215004	208822	176085	201669	169896	198052	177601	134343	123005	149166	211766	177584	164046	206424	226643	193209	193410	188018	258901	153068	151423	154159	126445	171371	50078	44338	43062	141973	113988	45616	188299	151840	175946	176901	209455	31364	220882	166674	149937	212652	121870	104421	209999	101111	209414	167851	121754	256210	217692	148285	111613	169064	158122	172895	145897	145412	111607	185116	36204	135911	193106	115930	169985	120858	122870	103837	202122	154503	206035	176371	196391	213345	203872	181007	244417	109018	156633	49185	149417	165786	209613	197702	196980	239828	149705	172578	104148	189904	154915	41828	155830	244785	Phytochemical	0.21428572	1.0	0.0
20	C14 H14 O3	231.10158	231.1018	-0.05372026	231.10156	312871	356945	321318	274942	422663	339597	226668	324522	316873	333083	220013	215424	427065	315407	286933	379130	279801	498464	498162	378111	351010	313647	272253	326197	258008	210846	228224	264052	364362	296759	266571	332035	434169	340544	353769	273597	460533	245479	286402	284118	217927	320396	51023	41324	41440	235690	206169	48938	334055	245767	320221	320201	349723	37108	347185	288365	258923	407049	230457	176482	340739	165559	379480	304979	193611	445431	373695	295638	164878	234832	245818	290474	303101	285486	270610	329732	37744	227633	336623	251243	247107	175733	230204	183919	306362	252000	343259	334720	352547	348113	371654	333464	418598	210469	247534	51129	319122	309338	315737	320672	363566	438494	252870	331264	171192	309878	288857	40959	266067	433356	Phytochemical	0.21428572	1.0	0.0
16	C14 H14 O3	231.10158	231.10184	-0.051455997	231.10156	486986	535388	485177	485460	579961	421573	407585	469805	487109	584845	423731	312722	621476	394979	427373	559130	502948	737055	779818	667197	580622	523799	441610	475713	367690	418199	388835	369339	445672	421009	455458	511893	636287	395920	658018	468861	612571	363163	521063	520096	441225	413701	46563	33699	42607	356227	389704	46493	560044	422691	524608	533308	543842	33514	558344	420884	382914	625371	327813	345675	517645	302267	579176	457524	282060	662244	477215	498641	349483	563154	511106	433852	415037	426680	454402	511763	36558	314525	517339	404769	394705	341128	384319	382693	562483	374328	582712	496367	522283	619378	528118	518273	587424	364977	525812	51304	478255	497990	442249	528143	600391	595204	328170	446536	219622	405742	451120	33503	424663	636604	Phytochemical	0.21428572	1.0	0.0
14	C14 H14 O3	231.10158	231.10185	-0.048489008	231.10156	464870	520271	431093	463974	467212	360491	388853	438940	464065	489313	371233	306214	493419	300631	360365	475752	458857	603420	561440	644436	659463	534104	375242	413346	339327	520727	395221	371277	442224	406114	363416	473163	629418	381001	657009	405743	505490	347569	529965	548964	453295	372951	41573	31481	30493	353173	331558	41890	470369	335149	457556	431057	438805	27321	556903	390129	335632	593913	331233	321971	467163	292417	505460	472795	280738	497345	382304	453183	427585	633656	619799	346544	356899	383609	396328	446593	29828	309010	466844	350214	427319	342427	373541	389415	479570	311106	533393	356575	442621	582015	463552	417425	551826	315810	463602	46683	452943	456475	403484	553736	556827	489992	344757	466530	224875	394101	384526	31326	387806	467428	Phytochemical	0.21428572	1.0	0.0
0	C7 H11 N8 Na1	231.10771	231.10822	0.27514216	231.10777	144596	166231	128852	139304	110082	82894	117496	126844	91886	114416	117299	154950	54998	13977	126934	164343	55502	114027	0	126647	71038	128526	114363	139491	117843	43636	120685	29414	61212	146602	131603	146256	69968	128085	109184	147919	105231	93598	46456	149715	108206	104387	0	3646	1526	121086	126921	6130	116293	128401	136814	144886	0	3285	35272	8148	147640	132195	64121	58823	129550	0	6158	129167	67555	115122	89654	89627	37867	62530	127988	133819	150443	156758	170164	163228	801	110978	118510	50322	97585	64836	107001	116189	67544	103395	96764	139803	138250	113499	111480	107569	144679	104422	144234	16821	150256	139277	69449	40019	105197	136926	141494	131991	96119	141278	29644	32469	97865	48817	Unclassified	0.0	1.5714285	1.1428572
14	C13 H14 O2 N2	231.11281	231.11308	-0.06632493	231.1128	26715	29292	25746	33316	20573	12236	36820	38175	7466	28690	25818	27613	5321	6654	16381	55563	59288	12353	13530	27313	28677	36617	18206	34102	16163	18042	45430	27144	22286	31674	22924	30401	35272	34526	25848	32739	40086	19682	66477	31376	40506	15900	0	922	657	17386	30598	981	32129	23362	26067	27218	17800	621	4715	2196	12677	52853	5961	25108	49040	13250	5354	7726	11223	10799	13183	72081	13408	18383	34325	28670	26204	19068	50715	32556	481	16660	33455	36677	26146	16201	18057	22399	2509	9232	37980	29754	20707	104008	32443	30956	55419	23442	33032	1015	27189	23443	8805	2919	3094	35619	19871	25028	0	49406	9019	823	41662	8414	Peptide	0.15384616	1.0769231	0.15384616
2	C13 H14 O2 N2	231.11281	231.11317	-0.08669453	231.11278	22943	27009	19786	22584	7797	0	21494	35698	5904	44906	36675	20052	5573	10130	21209	28306	34005	12536	16039	45392	45757	24763	20899	29754	22119	26053	13495	40330	35453	30607	30722	31933	32447	26942	41133	32012	28510	18848	34023	26331	26533	15306	523	445	480	18316	23036	477	36638	25996	20953	24351	11939	419	7305	2591	6890	35802	3229	10735	24897	11135	4639	8226	5945	8904	16136	39488	13833	26879	27117	28405	28354	26283	32305	34511	292	16471	23260	34068	17866	8198	8342	22897	3607	8230	20870	20179	16853	44615	24320	15607	50748	19497	27314	944	23082	23759	4938	3376	3594	28951	17987	23852	11955	33954	3992	571	22556	7625	Peptide	0.15384616	1.0769231	0.15384616
16	C13 H14 O2 N2	231.11281	231.11307	-0.030179873	231.1128	9850	14145	14298	12363	6668	4939	16582	16079	2708	7945	10462	12087	0	3446	10753	22361	28351	4581	4714	5980	5684	12117	10998	18821	18514	6189	19266	11233	12979	12991	13516	18681	24010	16820	6698	12419	21799	13358	33122	6826	12109	12103	1044	1006	634	5841	5110	692	18641	13114	11397	12600	8903	787	2167	1130	7105	22873	4494	10220	19218	2338	3881	3302	6941	4106	11439	33983	5960	9887	8017	16776	15385	10095	19086	11732	546	8248	17196	17144	15890	8329	7050	5093	2143	5974	21003	17418	10531	49828	20774	12623	37461	11981	15799	898	12364	13366	3032	2271	1821	22367	12325	10413	0	22001	3859	812	28344	6060	Peptide	0.15384616	1.0769231	0.15384616
10	C13 H14 O2 N2	231.11281	231.1131	-0.090373576	231.11278	36960	33304	31091	32085	14386	11925	26000	49049	9380	40415	36064	26002	6771	9139	26840	72556	59724	13527	19176	47802	48078	35034	28756	81312	35237	33376	39865	37740	28737	30219	37667	35589	44919	33213	31363	33419	45812	29566	78725	37025	67981	27999	1159	818	860	31750	35327	1202	44211	46343	37188	37554	19248	715	10289	3910	10470	63688	9486	28344	73452	17115	9237	7787	11549	12190	21976	79331	31587	42100	58793	38692	31876	22891	47276	37249	564	24715	42687	38951	41304	20049	13696	28237	7605	10613	43049	31656	24735	134642	51973	22215	102628	32582	46468	837	35071	30508	7079	7462	6565	38782	21782	21289	0	52424	8661	559	48652	9008	Peptide	0.15384616	1.0769231	0.15384616
12	C13 H14 O2 N2	231.11281	231.1131	-0.09120761	231.11278	46774	53953	51402	56203	8947	14495	84023	56473	12047	34475	26390	85638	3199	10692	61147	97839	63630	13896	56118	42957	38695	81596	40466	89825	57012	26269	50538	31113	40363	53091	85695	47614	71946	40618	27115	46108	52757	67333	80749	34526	60722	37985	1074	549	351	37756	40419	924	69474	55247	54842	49101	19623	863	5796	4402	25398	103210	10835	18751	85174	16951	8739	15157	18852	13437	48006	80049	22956	32867	47940	39797	30462	26923	58472	42647	494	62857	111763	48915	61208	20866	14254	25853	4345	23724	135829	35308	268062	206417	108837	83507	143829	37921	54529	1199	52531	49778	9476	4604	3825	60196	64389	29917	19450	94195	5605	631	86903	10964	Peptide	0.15384616	1.0769231	0.15384616
4	C11 H18 O5	231.1227	231.12305	-0.12800856	231.12267	7850	8532	9100	9288	8224	4626	3438	3949	7448	1929	2430	6344	7964	3784	2816	12532	7108	8564	10400	2548	1303	7498	2591	3495	3928	560	2838	3583	5867	4453	11340	5402	13618	5751	2495	7207	13154	6972	18698	0	981	3867	719	423	584	2574	2850	447	6468	6025	8480	7566	6124	366	7502	7126	5584	13360	1940	1699	10972	0	7792	5786	4345	5528	8172	6435	1141	0	2198	8024	9034	14662	3791	9370	328	8074	6098	0	4944	1255	3454	2164	13742	8814	5690	2632	9474	7798	42970	18964	12610	2190	2906	913	4633	7900	3074	11896	14096	14496	6492	4200	0	8644	8058	354	4768	8708	Lipid	0.45454547	1.6363636	0.0
8	C11 H18 O5	231.1227	231.12302	-0.09541871	231.12268	13539	16251	10886	14602	16346	12818	16418	14051	12430	4335	8465	8559	25708	27862	12578	18525	17461	19178	22110	6719	4111	4001	8036	11981	11091	4086	14560	22561	22205	15783	14415	18277	17466	16372	8222	21460	18073	11075	20230	3772	2026	14318	4306	1054	1395	6907	4346	1066	16787	15158	12743	12406	12531	2801	14127	11393	10167	15354	6055	4684	20607	2258	21335	8704	15420	18601	28112	12062	0	2217	2227	14066	16152	21277	14778	19813	885	9091	8665	47587	5294	6259	24995	23563	16056	11836	12192	10795	14792	10318	0	13704	10645	10987	5368	1034	11212	11867	9711	18315	25341	18954	8657	9196	0	14146	13318	916	8797	13052	Lipid	0.45454547	1.6363636	0.0
10	C11 H18 O5	231.1227	231.12299	-0.068699695	231.12268	28182	26267	26863	29770	31144	37708	62916	42741	15863	11671	11607	27949	39352	80225	27432	50638	58119	40712	43634	11583	8931	8202	18919	18592	28301	29207	47098	21735	61100	48502	36470	48844	49721	52718	12040	55850	52012	19461	59091	5813	4629	60967	16402	4979	5739	9902	8050	5350	58123	35164	27133	26632	26315	9426	22706	22731	22421	60276	10830	9013	55565	5408	34666	21950	61858	41231	66996	58096	0	9877	6068	36658	44107	52172	47266	43000	6064	25425	14333	21038	14252	15260	145792	107290	33897	36447	21096	25147	48496	15005	18014	14211	13609	6486	5359	5888	28316	37428	20257	33580	51037	49058	24044	15335	0	23983	25805	6266	25529	26274	Lipid	0.45454547	1.6363636	0.0
14	C10 H18 O4 N2	231.13393	231.13419	0.10783415	231.13396	15648	9976	14164	15578	0	300723	0	0	0	0	0	0	0	1172010	0	0	0	0	139361	0	0	0	0	0	0	19001	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	363237	0	0	0	0	0	339	0	0	15426	15970	0	363	0	282165	277856	0	0	0	0	0	0	0	522815	0	502766	0	0	0	1332	0	0	0	0	0	0	0	0	0	3833	74774	0	0	0	0	0	0	164354	4662	5173	2510	0	0	0	0	19420	25361	307653	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.8	0.2
2	C10 H18 O4 N2	231.13393	231.13431	-0.060891837	231.13393	23566	22058	19912	21466	32506	25765	9102	21758	27544	7569	22198	10836	41123	15044	10775	15538	17181	51271	44406	7868	7280	24106	15680	29551	11268	0	4949	24422	25260	15194	23045	23109	34784	23449	9663	21896	28168	9949	20446	3611	3407	25174	1038	0	0	8205	3748	0	27799	14381	19967	22076	32947	0	26412	13430	10555	35192	4753	5419	15929	1337	35660	23192	17161	41363	31597	22317	0	2325	1123	22390	19848	18295	6686	19110	0	10862	14058	6206	9208	2941	3866	888	20245	16693	14821	27922	31487	36239	49491	60169	44084	6812	3628	0	21964	20337	17571	16731	16925	24801	11463	12089	3363	32403	21823	0	11294	54185	Peptide	0.4	1.8	0.2
10	C10 H18 O4 N2	231.13393	231.13422	0.09569635	231.13396	1656	0	1254	2047	2125	2113	1294	1691	1064	0	0	0	0	1484	2075	1662	1167	1833	1888	0	0	2257	1591	1550	1750	0	2860	0	1025	1250	0	1162	1273	962	0	1035	2083	733	1088	0	0	1431	0	0	0	0	0	0	0	1312	1002	0	1375	527	1549	0	1828	0	0	0	0	0	0	1012	2511	1684	1893	1423	0	0	0	1456	0	0	1175	0	0	0	1057	0	1209	714	892	0	1454	1304	2337	1059	1119	3026	25407	10983	1929	0	0	0	1779	0	2535	802	1034	0	964	0	0	0	2607	0	1122	0	Peptide	0.4	1.8	0.2
4	C10 H18 O4 N2	231.13393	231.13431	-0.05314665	231.13393	15784	18949	18682	18683	13775	13579	10545	17613	15275	9247	14803	12585	16995	12328	11275	25887	39292	24727	23840	6448	4951	14399	15317	20778	9800	0	11518	25206	15379	13619	17203	15080	17818	19194	7584	17076	16339	11901	39843	2936	3114	15667	0	0	0	8552	6729	0	20303	19418	18420	14537	15394	240	20892	9704	10253	18834	5939	8762	21403	1502	11212	10454	12856	29578	14446	35447	0	1434	0	16089	14547	17035	13192	15807	0	11729	16316	22792	13493	6287	5931	1758	15501	19297	17597	20755	18133	27721	65375	58598	32877	5662	7404	0	18695	19152	12776	10322	13895	16010	9806	9586	4998	20303	15077	0	12990	15265	Peptide	0.4	1.8	0.2
8	C10 H18 O4 N2	231.13393	231.13425	-0.035107933	231.13393	9163	6321	9161	10433	4011	4812	7811	7813	3367	0	2987	7827	3721	2419	12386	21092	10642	15034	4677	1957	1228	8911	20551	20261	13515	0	8942	3280	6815	6667	8166	8084	7122	9406	2468	6387	9502	8294	9471	1550	1092	18355	664	0	0	5027	1751	0	9367	5366	8650	8568	3476	289	6489	1683	37866	12998	2411	2416	18518	0	4346	4486	4927	3697	7667	12211	0	0	0	7257	7050	5405	4246	5289	0	4481	19751	14780	19831	2650	2654	0	3276	4075	19244	5266	7986	18582	68385	30663	34404	4103	3879	0	9479	8853	7180	2676	2931	9311	4528	3204	0	12606	4900	0	10219	3580	Peptide	0.4	1.8	0.2
6	C10 H18 O4 N2	231.13393	231.13425	-0.07990814	231.13391	17024	20176	13683	17861	8260	12580	14725	18525	8124	3244	3639	11471	8963	6193	16939	27892	20993	15835	13058	3705	2454	26043	21514	30490	14034	0	16559	7499	24746	15129	21678	25247	17744	27050	4679	20598	15813	17402	21130	1165	2077	11227	0	0	0	8247	3988	0	20468	27313	15446	15881	9261	0	9673	2360	11154	27947	3718	5058	24411	0	6092	7015	8613	10871	12226	27338	0	1704	0	24140	20714	23475	7941	16417	0	10558	30407	8412	41030	6389	4677	1266	5536	11418	37794	17232	17898	65088	113480	52248	44792	4740	4044	0	15900	14404	5285	4565	3929	15589	11474	5833	0	21447	6820	0	28101	11244	Peptide	0.4	1.8	0.2
26	C15 H18 O2	231.13795	231.13821	-0.025420154	231.13795	140803	142505	127845	124777	174732	97437	100152	172986	122951	88540	87243	118099	140939	147472	149042	181296	139286	128709	195800	129192	121125	165518	127715	148508	141109	113632	110534	103420	149772	170072	152563	172867	194011	123891	124385	189124	180386	135088	155325	107612	99374	173696	27211	27087	30638	103838	65885	35285	169701	153778	136953	139703	132067	23633	133803	135480	88957	243397	93373	76752	192279	67985	135874	115167	75106	145421	128364	173424	90691	114245	109221	123216	124105	162659	119592	178389	20308	126079	149766	113524	123303	85703	106502	97429	150790	102167	193323	112261	125470	247847	193653	163635	267698	99484	102295	30432	138115	156166	110557	184635	180114	201217	122257	127990	66226	163804	112438	26735	142760	119922	Phytochemical	0.13333334	1.2	0.0
0	C9 H18 O3 N4	231.14517	231.14543	-0.15659334	231.14513	0	0	0	0	1633	0	0	4439	715	0	0	0	2318	0	0	0	827	5665	3649	0	1038	2452	0	0	1396	0	0	1812	23594	0	13792	3304	18440	4859	2157	2201	3839	875	1138	0	0	0	0	0	0	0	0	0	7099	0	0	0	0	0	996	0	0	3099	0	0	2208	0	0	0	0	0	9134	0	0	0	0	1526	4005	0	0	1546	0	0	0	2146	0	0	0	0	0	0	878	2151	7419	0	4429	4725	1700	0	0	0	0	0	320	408	0	0	0	0	0	4275	709	0	0	2748	Peptide	0.33333334	2.0	0.44444445
6	C14 H18 O1 N2	231.14919	231.1495	-0.091414094	231.14917	9750	12733	8437	9084	1610	4000	5740	16858	563	15309	10190	5397	569	2581	8574	18104	10965	2304	3909	13512	14689	3962	6009	19834	9245	4493	7037	16445	16740	14159	13550	20986	16676	14016	15128	13660	15477	5736	11673	5816	2558	6132	0	0	0	4649	6262	0	19999	12355	10100	8665	3551	0	652	430	983	16025	0	754	19233	1947	0	0	1941	1686	5871	18429	2551	5135	6927	13664	13395	11503	13048	14681	0	4166	5423	6529	4605	1023	370	7018	0	1137	6286	7306	7712	19584	6447	1300	18953	6831	10683	0	9497	5952	1036	0	0	14685	4888	2851	0	16448	0	0	5387	0	Unclassified	0.071428575	1.2857143	0.14285715
4	C14 H18 O1 N2	231.14919	231.14957	-0.062248774	231.14917	14457	17199	15116	17122	3100	5382	11006	34168	1202	21992	11823	16115	2278	3498	11688	37695	26778	5115	9298	21202	22666	8501	11112	33148	14096	7288	11905	22249	36264	23314	25930	29963	32231	30772	20939	33325	29747	12095	26179	8594	4532	11021	0	0	0	9913	9074	0	35820	31632	14959	14715	7014	0	1461	1684	3557	30051	0	714	30627	4529	1231	2478	2811	4476	9273	34740	3642	6751	9344	25331	26816	31050	38389	26057	0	17158	12536	12125	14203	1045	816	8594	505	2390	13114	13416	12843	42691	16577	1100	39497	9091	21070	0	15119	17450	1294	1107	1217	32126	14869	9458	3339	31824	622	0	12873	1659	Unclassified	0.071428575	1.2857143	0.14285715
2	C14 H18 O1 N2	231.14919	231.14957	-0.11801493	231.14917	17501	20035	17194	19832	1669	0	10894	34554	994	20480	12789	14725	661	2155	14312	53603	24786	4234	6485	25082	22584	12145	14371	50084	17467	6606	16210	18650	29411	41525	32097	38460	24584	32162	21811	39076	26011	14226	28067	13849	10412	7244	0	0	0	10492	10071	0	40296	36902	17942	19820	4182	0	2477	404	2723	34923	255	1081	40847	6153	993	2469	2367	3405	7620	33622	3791	7180	9290	39402	41138	56203	60533	41661	0	16535	18525	13328	18037	2291	2330	12168	634	1995	15696	8000	8668	39874	24276	6425	48396	10280	19271	0	18500	20054	1445	325	531	27751	12053	20591	4428	30507	755	0	17801	1219	Unclassified	0.071428575	1.2857143	0.14285715
8	C14 H18 O1 N2	231.14919	231.1495	-0.0964171	231.14917	6072	4279	3064	5728	0	2043	3682	4964	0	6833	8385	5873	0	1094	2169	9421	11926	0	2516	8186	7558	1753	3898	8314	3905	3066	8224	12199	6270	6437	8638	8153	9670	7325	8312	6094	11688	4737	10815	2032	1631	4331	0	0	0	2911	1600	0	15039	4308	4582	5265	1386	0	0	0	1213	9560	0	0	4740	0	0	826	0	989	2871	22680	0	3831	3129	6639	4730	3613	4692	5756	0	4835	2391	3480	4137	0	0	2699	0	0	5227	5354	5788	14422	0	0	10259	2802	6265	0	4559	3448	0	0	0	10480	4633	0	0	9715	0	0	5268	0	Unclassified	0.071428575	1.2857143	0.14285715
26	C12 H22 O4	231.15909	231.1592	-0.07368132	231.15907	5933	3613	5222	4466	5349	7040	5237	0	2416	3355	3153	3354	0	9828	0	0	0	0	0	0	0	0	0	0	0	4998	4206	5405	0	0	2321	0	2321	2840	0	0	2273	2914	3340	2767	2200	15204	8214	6593	0	4952	0	5427	3020	0	4849	5877	4278	11542	0	8973	29662	2246	0	3221	0	0	0	2278	39347	6477	7580	3658	0	1596	2135	3810	4416	0	0	3843	0	3300	0	11407	0	7044	4194	2929	21172	58460	0	17717	6156	0	17523	23908	0	2126	0	6630	5570	7627	8951	20284	73335	0	0	0	0	2168	49517	7063	2890	1779	Lipid	0.33333334	1.8333334	0.0
24	C12 H22 O4	231.15909	231.15932	-0.039823454	231.15907	45178	37585	39692	43163	12101	46758	70463	17849	9929	21492	28195	4260	13077	67221	14413	4542	4509	9396	4714	15898	4208	4833	3580	4088	6569	13830	47007	500762	13489	22896	9933	14354	26147	7259	11007	19271	6725	17844	4327	7549	5242	40221	58902	9218	26595	15669	6994	8382	37289	39699	42252	37919	8781	118088	13568	16979	45656	6806	21809	6915	10075	7090	12398	14790	127772	25400	12448	2969	5256	10539	3299	15957	7270	11275	2441	18205	18731	3616	1601	1040953	4923	1213252	73947	67861	32407	90733	4891	25816	11261	1746	172903	224317	12131	71140	9082	14681	46059	45054	31038	19531	111178	13108	5365	20732	11802	9737	53460	15073	5101	25516	Lipid	0.33333334	1.8333334	0.0
4	C12 H22 O4	231.15909	231.15903	-0.91160953	231.15887	0	0	0	416	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	232	0	0	0	0	0	0	0	0	0	0	0	0	0	514	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7582	0	0	0	0	0	0	0	0	0	0	27041	10843	0	1183	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	1.8333334	0.0
14	C12 H22 O4	231.15909	231.15926	-0.11776185	231.15906	0	2083	0	0	1437	0	10068	0	0	0	0	0	0	18388	0	0	0	0	0	0	0	0	0	0	0	10608	11408	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	945	713	0	0	1012	0	1360	0	0	0	2249	0	0	0	0	0	0	0	0	2304	0	13179	2240	2979	0	0	0	0	0	1049	0	0	1096	778	0	2040	0	1227	1219	30400	34111	0	0	1207	0	0	0	0	0	0	0	0	1088	0	0	0	0	1322	0	0	0	0	0	0	822	0	0	Lipid	0.33333334	1.8333334	0.0
20	C12 H22 O4	231.15909	231.15933	-0.011568038	231.15909	33890	28451	34465	33221	28117	45419	41749	11540	1567	27728	19463	5510	22871	68590	2027	15757	5498	5677	0	8627	3669	3925	1265	4836	3732	5702	44209	203997	11097	30135	13479	21596	43198	16627	7091	29277	8463	4899	6836	6759	4943	48252	107697	10133	12579	13154	7684	8870	65761	46777	29697	31028	7512	160725	0	2532	4948	12779	3025	7637	10161	0	18177	15796	37435	46303	11278	5588	3041	2954	6514	30719	14259	11012	9727	34802	12279	2214	2554	1233639	1929	725977	44440	38663	4639	26842	2763	20693	12336	4820	239054	138639	12356	39813	15076	28121	22633	31655	10860	1634	6944	12537	4586	17589	6089	14839	5284	12077	1378	53034	Lipid	0.33333334	1.8333334	0.0
18	C12 H22 O4	231.15909	231.15929	-0.12793763	231.15906	12013	13208	10120	13554	3271	7632	7909	0	0	0	1641	2680	3054	13302	2389	3320	4481	0	0	0	0	0	2182	0	0	2083	10000	13423	0	6733	2598	6463	6053	0	0	2959	0	6292	4606	2770	3168	8749	22328	9678	9744	1638	1684	11883	11242	11552	15565	13358	1426	41941	0	2562	1798	2543	2420	4614	0	1852	4029	0	9597	7325	4452	9142	2145	0	0	5928	3432	3578	1905	9172	5621	2496	0	251780	1198	34722	9532	6036	0	2450	0	3668	0	4800	38863	13916	2130	3282	3898	14844	15826	0	5326	0	1574	3773	4069	1878	4957	2180	2351	12134	1501	12355	Lipid	0.33333334	1.8333334	0.0
2	C11 H22 O3 N2	231.17032	231.17068	-0.11612086	231.17029	258350	238197	220781	256664	50453	365190	27831	63542	22297	25303	340638	44132	49340	54005	63606	62134	70554	59696	50501	6403	10116	55148	44965	77101	44604	505	15107	4273238	103339	43160	99454	90054	140233	89200	22715	77587	84036	67619	95632	3064	3522	91003	641	0	0	18562	16207	0	72129	34782	237519	234540	52256	1911	28880	19768	21138	251255	1545	2215	39890	714	51177	24845	84666	82858	91674	94305	2531	11952	5458	61879	83898	72617	22204	58158	0	49572	57036	18257450	33598	5635	3436	2006	26111	68036	111077	92027	136408	129099	3041724	1772124	102743	2050660	39341	993	246660	233093	130804	46034	64644	57798	58345	9538	2969	77599	25829	0	75609	39617	Peptide	0.27272728	2.0	0.18181819
10	C11 H22 O3 N2	231.17032	231.17061	0.04381184	231.17033	1218	1151	0	1853	0	1654	0	1989	0	0	0	0	0	0	0	10064	1107	1643	0	0	0	0	887	1675	1590	0	939	5949	0	0	0	1067	0	0	0	0	0	0	0	0	0	1260	0	0	0	0	0	0	1175	0	1722	1525	635	0	0	0	2652	7489	0	0	10437	0	3633	0	10867	5249	2633	3028	0	0	0	0	0	0	0	0	0	0	0	46961	0	0	0	0	0	1825	1572	931	0	1552	43450	9613	0	1916	0	0	0	1553	0	0	0	0	0	0	0	2340	0	0	869	0	Peptide	0.27272728	2.0	0.18181819
8	C11 H22 O3 N2	231.17032	231.17062	-0.006359353	231.17032	30991	35856	29505	38942	1743	900	0	0	0	6207	28206	0	2909	9984	0	8350	1897	971	2017	0	0	2900	0	1347	1318	0	2573	27681	1034	0	1108	0	2643	1523	0	805	1183	0	2661	0	0	796	0	0	0	0	0	0	2653	0	21875	43276	1973	287	0	0	0	7699	0	0	8209	0	1243	2426	0	4032	797	4419	0	0	0	0	0	721	1636	1217	0	0	0	61009	1025	0	0	0	0	0	2247	1854	1182	3692	1034558	611343	2419	95452	19811	0	21584	11882	0	649	5004	1363	0	0	0	2017	0	0	1411	1041	Peptide	0.27272728	2.0	0.18181819
6	C11 H22 O3 N2	231.17032	231.17061	-0.14124137	231.17029	25651	17958	26410	18524	1881	3359	3001	3783	768	18919	65264	1038	2948	4724	945	5735	2045	2573	1728	0	0	4732	2443	5636	869	0	3973	325336	2697	2322	6036	4988	3850	6094	1474	3798	4021	1815	2136	0	0	1961	0	0	0	1992	0	0	5176	2768	29150	17558	6155	0	0	881	1214	9591	0	0	4557	0	1292	0	6780	3239	3147	3118	0	1978	3287	5158	3361	3772	923	3963	0	1794	2255	408924	1483	1732	0	0	3341	27369	2825	2065	3448	7256	2209492	1350747	6251	36958	5481	0	32583	33911	1278	1096	9450	2187	1266	0	0	5143	9367	0	3128	2081	Peptide	0.27272728	2.0	0.18181819
4	C11 H22 O3 N2	231.17032	231.17068	-0.10814187	231.17029	6226	5750	6505	5004	5629	9595	1352	6554	2777	0	0	1305	11588	22655	2142	5295	2215	7472	6397	0	825	9408	6695	19305	4650	0	1145	8144	5543	1891	6159	6097	7158	6356	1154	3600	6213	3007	2288	0	425	4780	0	0	0	3222	0	0	4669	2514	5590	5269	4064	0	3430	1815	1028	12821	374	0	6561	0	14338	3244	0	10754	4153	2658	0	0	0	5879	5710	3317	1461	3096	0	2781	3393	35647	1764	469	518	0	2202	2763	6242	2934	6961	23493	99045	50451	23340	4305	1306	0	5412	6589	1894	2374	2759	3292	2030	1093	0	37550	1479	0	3496	8526	Peptide	0.27272728	2.0	0.18181819
28	C16 H22 O1	231.17435	231.17459	-0.05239173	231.17433	29142	28001	25404	25950	74892	34182	33739	22658	35310	13403	16428	18896	34541	99645	19449	26930	30948	38210	50873	15146	13948	19803	17731	16963	25941	17516	28592	23022	25160	27672	22605	34208	31925	32878	15525	32330	24718	31648	32842	17347	16052	36831	12444	13289	12171	13135	9889	9572	31500	24895	26971	23531	53996	9216	25167	25600	35035	40096	18739	18343	29162	14401	15987	24673	39066	31144	49645	37118	15945	17659	18487	18798	25305	26229	21018	27768	10438	21154	25840	21858	18451	18082	22556	19216	26508	20924	43470	20606	30116	44010	30224	25580	27732	13358	12868	10198	24597	24108	30911	22110	24600	31368	20845	19958	13137	28035	45270	11061	26205	16140	Lipid	0.0625	1.375	0.0
16	C16 H22 O1	231.17435	231.1746	-0.03677154	231.17433	10542	15770	11183	14242	9566	5628	20468	12549	4652	5191	6661	9768	5304	11299	9765	16959	30863	5082	8002	12124	7767	11675	11042	11264	12048	11955	21865	6804	11799	15958	16491	15418	10559	9926	3979	15678	16766	12033	31537	9836	12007	8415	1552	1353	1334	6582	8408	1607	14253	15001	13097	11340	9598	1189	7576	8550	9987	19957	3523	12681	17461	3915	5462	4454	8455	6114	11609	25288	11917	7818	15873	7527	14334	19811	25767	16633	1055	9021	15559	15790	11179	7189	14119	19129	13610	10036	23030	10317	9450	44687	13691	13819	0	6620	8334	1039	12573	14184	8302	12915	16012	19081	12545	13635	0	14330	9738	929	17038	3751	Lipid	0.0625	1.375	0.0
20	C16 H22 O1	231.17435	231.17458	-0.06466808	231.17433	59697	80389	66227	63878	52145	34280	99115	71249	32771	66304	63852	54942	34502	54395	50517	85604	143284	38695	52619	70590	88574	54137	41651	55232	48728	113403	104743	59063	64228	65857	44113	67242	69517	50442	58571	72672	65101	52722	136256	52165	89127	47093	4718	1518	1214	41928	58465	2416	65732	64616	68812	67277	45201	2013	33678	41704	42522	78126	29382	72147	68385	42354	47342	33018	40997	47906	59022	128780	67409	72587	111828	46332	52852	80361	133367	76253	1787	41599	70393	76466	45573	31820	77457	84310	51452	45731	101394	49688	49984	201099	99808	77433	81384	52503	59204	2675	62229	66017	58153	61765	62830	78602	53541	62115	37803	66850	53000	2656	66018	32730	Lipid	0.0625	1.375	0.0
18	C16 H22 O1	231.17435	231.17459	-0.048945025	231.17433	33377	40085	34090	21687	17731	18708	53716	33248	19196	21033	22156	25819	17288	26896	26047	34783	73403	18925	26639	23888	27734	29935	24764	27958	22946	48198	54906	21461	31534	33560	23861	32269	35819	28477	17228	35121	23406	29142	77951	22064	37716	22636	1670	1330	1004	16495	20745	1873	30859	27945	32689	32700	27531	1464	21146	21406	19076	47009	12465	34021	36342	15013	14964	10434	23572	24666	29557	85007	28428	30216	43501	19818	18320	41078	70278	31298	1140	15352	39339	34922	26648	23078	45695	41132	35036	21612	50402	18503	25045	102075	45197	35817	35585	19641	22444	1737	32703	35363	24931	29304	35265	38778	20913	30042	9924	28922	19863	1304	33259	10902	Lipid	0.0625	1.375	0.0
14	C16 H22 O1	231.17435	231.1746	-0.07757474	231.17432	2820	3962	5804	5098	3279	1790	6361	5040	3311	6649	3307	5081	0	2172	3449	5859	7956	1425	0	2459	1799	0	2905	3970	2331	3074	7613	0	5779	3906	4781	8946	3967	3590	0	3812	4062	3461	9165	3064	4904	3508	0	1010	738	3152	0	1103	4541	5145	3115	5589	2232	1058	1481	2053	4706	6261	0	0	0	0	2222	2817	2746	2486	3765	13700	0	3379	5033	2233	2896	4831	10066	4391	1087	1428	5166	0	5061	3597	7352	4732	3319	3869	7508	2987	3149	23432	4686	3351	5249	3118	2786	980	2226	4887	4208	6217	4091	4829	4748	2670	0	3208	3452	760	8012	2295	Lipid	0.0625	1.375	0.0
26	C16 H22 O1	231.17435	231.1746	0.022565061	231.17435	83433	88764	83897	76264	70862	40843	84524	70880	58894	46139	67439	58240	43495	76095	404441	97529	380005	53518	69050	61727	62092	92838	44585	57435	84054	47691	83385	85504	72532	76238	64901	84478	84213	68550	61417	89287	75022	426903	415044	47807	55221	58465	20098	27075	11986	34554	36562	18475	78328	63066	88795	78871	67054	10123	47840	89853	109129	104328	52169	47582	81224	35029	42295	48894	56296	62570	84804	351472	132539	50706	60107	42974	55833	75561	95441	79598	11782	63675	91856	86924	54558	53461	63222	54356	62458	57433	161256	54175	65779	159015	126372	116206	91428	55331	51954	22038	74058	85384	119241	59577	62101	95848	67535	64588	44614	62638	54535	23542	132942	36284	Lipid	0.0625	1.375	0.0
8	C12 H26 O2 N2	231.20671	231.207	-0.17488872	231.20667	1945	2813	0	1487	0	0	0	1957	0	0	0	0	0	0	1158	11808	0	0	0	0	0	0	10041	39796	2332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2415	3157	0	0	0	0	0	11988	0	0	4675	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8626	17537	18121	0	0	0	0	0	1973	0	0	21992	19948	0	46135	0	0	0	1397	1594	0	0	0	0	0	0	0	54063	0	0	859	0	Peptide	0.16666667	2.1666667	0.16666667
10	C12 H26 O2 N2	231.20671	231.20695	0.012059884	231.20671	68604	64913	66413	45545	0	0	88080	62453	0	60346	235295	75310	0	0	17046	82658	47349	0	0	10695	14602	5911	15638	62043	20181	0	158983	1776217	85930	25204	125816	389526	803040	486504	14042	221347	384046	16932	45752	0	0	0	0	0	0	6941	0	0	80249	28285	64632	72595	0	0	0	0	813	91763	0	0	83460	0	0	0	1013	0	0	135572	0	4767	0	33596	84449	40247	82566	42023	0	66078	3766	10248	25755	0	0	0	0	0	1486	0	1148	20686	12405	0	64303	1219	0	0	61781	60884	0	0	0	562132	78210	0	0	74877	0	0	27349	0	Peptide	0.16666667	2.1666667	0.16666667
24	C17 H26	231.21072	231.21097	-0.015543452	231.21072	14641	17987	13894	15667	6548	16619	243324	17701	2606	5865	17008	7064	1735	129876	6962	15183	27748	1650	12608	5589	5631	3157	3865	6012	11523	33098	254732	20828	9907	14312	9175	12055	9553	6090	5263	16465	6936	8420	30174	3968	21102	14369	3233	0	0	7474	19122	0	11396	29924	19307	20292	5691	0	4277	16011	23018	15568	3275	32898	22654	5651	39713	2589	87871	9661	26086	28448	12540	11010	18702	13939	7938	13676	22149	18640	0	6046	8143	30521	7075	24657	53534	83861	5718	11900	26483	10624	15543	43705	34582	20124	10990	5712	13608	0	17759	20590	21665	7323	13763	9989	5064	18270	8074	6189	10561	0	11986	11799	Lipid	0.0	1.5294118	0.0
28	C17 H26	231.21072	231.21098	-0.029106531	231.21072	5952	4471	5580	5783	5467	3855	27198	5249	2474	1786	8125	3404	1837	6675	3841	4155	8693	3242	3346	3874	3000	3412	3564	2951	8568	9234	23294	14168	5834	8224	4127	8943	5387	5860	2534	8961	3150	8498	7872	2750	3810	6993	2720	3017	4366	3878	4320	1635	6687	8754	5139	5955	3940	4086	3930	4620	5145	6851	5545	5805	7764	3824	1897	2121	8150	5000	8079	8775	9185	4298	3235	3551	4061	7332	8482	7158	3522	6062	7057	15238	2925	7516	7014	7225	4947	6453	16269	4994	5363	8722	18476	10285	3487	5655	3160	2017	4523	5779	5339	4766	5219	6063	5720	8050	6351	4332	7121	3087	4552	2673	Lipid	0.0	1.5294118	0.0
26	C17 H26	231.21072	231.21098	-0.013437382	231.21072	24534	24973	23137	21718	8092	11594	275949	20074	8753	8766	32173	10740	8560	85682	15257	21029	25670	6282	14992	13620	9424	11633	11123	10345	17121	52192	268608	54428	19432	19588	9637	15865	15498	12861	11136	23613	11425	19134	33127	9824	29055	25285	5134	0	0	13874	20250	0	16621	23384	26936	27105	11505	0	6939	19813	31384	25783	14275	33886	42643	10734	29503	6323	114159	12902	39749	33590	30602	19172	18917	7839	8972	19990	23171	21017	0	10507	17194	69225	12553	38536	52981	59882	14902	24625	47206	16555	16896	60876	61225	50471	17565	19855	13540	0	26635	29023	24381	12524	22916	18088	14248	32988	25020	10589	15692	0	24538	11229	Lipid	0.0	1.5294118	0.0
22	C17 H26	231.21072	231.21097	-0.026250798	231.21072	10692	14463	9971	15475	0	3111	489862	0	1306	0	9745	1610	0	47588	2600	5565	9876	0	0	0	1859	1575	1357	0	3247	56554	475422	18242	1503	2826	1914	3771	2104	0	0	4181	0	2738	20334	0	26039	3814	5390	0	0	1651	14059	0	3868	5080	11646	10237	1969	616	0	6145	9642	3674	1978	29921	10268	7595	13050	0	44361	1379	5540	18215	11816	4097	21631	1354	0	2174	8225	2898	279	1401	2015	25664	1399	14579	84662	242373	2204	2387	5356	3252	2130	16396	15932	12513	3971	3688	7543	0	12600	14610	10792	1320	4899	2312	1070	4563	6532	2351	1265	0	3715	3348	Lipid	0.0	1.5294118	0.0
6	C7 H9 O4 N3 S1	232.03865	232.03897	0.09806347	232.03868	1629	1796	1156	1115	0	35050	0	3353	634	0	0	1830	0	2271	1071	1241	0	0	955	0	0	1098	2769	1031	0	0	0	0	4273	4299	4286	5513	0	6811	0	4949	0	1358	0	0	0	4313	0	0	0	0	0	0	3492	3051	1657	1210	778	0	0	0	842	2330	0	0	1239	0	0	0	903	0	1966	0	0	0	0	2975	8774	5055	0	3086	0	1584	1477	0	1020	0	0	0	0	0	3911	1521	3383	7686	0	0	4767	0	0	0	1334	1022	1302	0	0	1453	1480	0	0	3900	0	0	714	0	Peptide	0.5714286	1.2857143	0.42857143
20	C12 H9 O4 N1	232.06044	232.06067	-0.097559005	232.06041	10858	17206	10133	6429	11733	12635	14799	15494	8359	0	2961	16680	7373	7524	15638	21571	35859	13909	16951	0	2903	10268	11624	15357	7801	0	14861	0	12093	11907	10476	10459	30678	12566	0	7369	33148	12286	34888	0	0	14927	2604	3020	3198	1637	1713	3749	18769	7382	14351	15401	17010	2641	4755	1743	11028	22039	1471	1752	26342	0	14471	8913	6012	19851	14233	41331	0	0	2254	11061	11835	5837	16216	8533	2914	11430	34406	5591	22494	1822	1737	0	7581	10474	27622	29510	16131	66579	15639	6351	38283	2294	0	3633	12103	10174	7139	7357	6946	30373	14241	2166	1327	26821	8228	2907	11186	18715	Phytochemical	0.33333334	0.75	0.083333336
14	C12 H9 O4 N1	232.06044	232.06071	-0.031983398	232.06042	44965	43926	38184	43841	46395	32481	38619	53846	37856	10198	15403	41441	34377	20729	29170	94203	59874	59421	76889	6549	6338	55868	33860	69809	32889	4087	42514	13295	35347	37762	41641	50200	69794	46892	15949	34114	78564	34549	74890	9679	12123	51295	2733	2225	2350	15546	10708	3801	57023	33278	50934	44132	44334	2274	32214	14379	34601	105702	5293	12120	80816	5585	54185	41490	24885	62942	44813	86064	0	6523	6927	49828	43920	29466	50142	44206	1848	27286	62782	23229	49874	10710	10164	4981	30342	19707	76946	78165	67096	241564	26510	20375	137759	11208	18633	3611	39170	35971	22118	31271	26332	64006	35630	13586	0	99247	16497	2357	50289	72440	Phytochemical	0.33333334	0.75	0.083333336
4	C12 H9 O4 N1	232.06044	232.06082	4.11998E-4	232.06044	8751	10306	8911	8097	13464	12644	4318	9163	17683	3923	7642	17366	19589	10343	11814	6986	17998	30505	29491	3654	5440	9399	15226	7228	4043	1807	2746	0	5808	4521	7986	6147	17790	5191	6587	7048	15402	9262	12869	2115	2497	25272	1899	1667	2632	3831	4104	2354	5672	8417	9454	5895	15703	2227	17040	12442	12398	7636	2623	3477	9907	1499	15887	16140	9891	17994	13149	13215	2662	2236	2537	6819	7256	6715	8771	6699	1436	9892	5505	0	6375	3849	3306	1804	11468	10007	5809	23130	20765	14863	2832	3290	19086	2828	2853	5365	9726	13342	12766	16617	13674	18404	18700	3764	0	13414	9656	2071	3150	25677	Phytochemical	0.33333334	0.75	0.083333336
10	C12 H9 O4 N1	232.06044	232.06075	-0.006408202	232.06044	37576	39652	32766	31068	53626	36364	27867	29735	46543	14042	12118	28498	59352	29732	22222	75343	49025	78833	77107	9769	12495	35205	32838	43253	26023	3359	37520	14244	30573	21267	26482	30473	67036	31821	15272	24548	58705	24242	72799	7447	12293	41755	2774	1896	2598	16478	11658	3059	35836	20466	38519	39558	48315	2734	47324	25851	20025	75539	7485	16303	71630	5395	57924	53228	22954	65549	44781	64239	8657	8510	7015	27244	24649	15653	34221	29305	1916	20081	50279	15992	33091	12307	10324	5416	43743	31982	58532	62630	57352	105019	23873	18772	73227	12389	11925	3568	36679	35119	26376	37505	35284	52667	24897	12624	0	60310	31243	2058	29239	74048	Phytochemical	0.33333334	0.75	0.083333336
18	C12 H9 O4 N1	232.06044	232.06068	-0.018013064	232.06042	22489	25318	23878	22499	9480	30096	12841	33048	12504	2647	2122	21052	18094	14475	19763	52283	31965	39575	46054	1993	2567	37223	23527	51402	13708	0	7325	3753	21640	21807	21271	25142	51039	31854	3764	16899	54649	24327	46291	2993	2260	21720	3110	2276	3195	4196	0	3537	41184	17496	24475	22068	24577	2532	14921	3598	12189	59460	2185	4070	52936	2058	30130	19617	16671	17536	32452	38389	1358	2754	0	25394	18195	11915	27936	21133	2292	22858	43454	8504	21878	2190	2205	1739	9477	10526	46164	37111	33055	163445	41617	26495	97547	2816	3583	3978	25744	15558	9162	5554	5661	32225	23302	2678	0	66423	5652	3261	17123	23699	Phytochemical	0.33333334	0.75	0.083333336
16	C12 H9 O4 N1	232.06044	232.0607	-0.03491702	232.06042	26799	25471	17781	22249	21808	20778	20571	22548	18048	4334	8076	15342	16529	16587	17395	33657	32181	36870	44248	3928	4817	21599	16824	36906	15543	0	15976	9806	17969	15585	18832	26645	34913	21137	9329	20013	44051	16498	39674	3634	4378	24818	3327	2659	3226	8992	4258	3816	35293	17477	22774	22286	22344	2429	12304	8447	16142	48652	2551	6506	31644	2161	23315	15322	11578	36752	26554	42665	2322	0	3552	20073	25592	8001	22649	20797	2702	12981	32218	12859	24770	3919	5277	1927	18499	15037	44027	34466	31863	98118	13847	14630	54931	6134	6810	3738	23093	18988	10925	18404	15709	32368	14442	4536	0	44990	13326	2588	26117	43433	Phytochemical	0.33333334	0.75	0.083333336
6	C12 H9 O4 N1	232.06044	232.06079	0.011346022	232.06044	23691	25922	18767	23314	46827	30227	9401	13981	56425	8681	14314	16953	60703	24855	16138	27353	19872	78787	98871	5996	5999	19947	24724	14792	7401	1403	9972	10312	14999	10176	16893	14194	36658	13984	10675	12049	28509	17616	24415	4225	4894	41005	1981	1487	2033	8426	5156	1562	17286	10530	21299	23104	44166	1699	48148	24582	25571	26434	4030	6280	27444	1665	63932	48546	22356	62808	44224	29026	3815	5068	3588	12837	13833	6041	9025	14815	1414	10678	15612	5695	13311	5600	4055	3353	24875	19525	19694	61845	58684	45522	7037	7943	41345	4607	5349	2089	19772	18141	26692	29933	29397	28516	17386	6110	0	30396	20598	1340	10464	98265	Phytochemical	0.33333334	0.75	0.083333336
8	C12 H9 O4 N1	232.06044	232.06076	-0.025220662	232.06042	30912	34637	25797	32422	51025	27653	14478	25073	54748	11040	11624	20815	59614	22888	19184	58001	40697	62192	79512	8609	6896	26292	28885	31660	12008	2333	25579	12005	23987	18196	21709	30211	40823	26409	14138	24151	41349	21879	51564	5772	10379	38711	2206	1482	2331	11828	6435	1886	27644	18705	29132	31185	41078	1819	52358	27910	24297	39075	5943	9169	33692	3243	62746	57443	20316	61651	41958	48748	3458	5830	4393	20757	24031	15130	27526	25659	1564	16567	27036	8544	22207	8809	7102	4586	29458	18605	37006	54267	53474	74001	14687	12285	60098	8887	8156	2402	27805	29231	34482	41734	31607	46373	22908	9550	0	42136	25379	1515	19264	80508	Phytochemical	0.33333334	0.75	0.083333336
12	C12 H9 O4 N1	232.06044	232.06073	-0.030865304	232.06042	48071	48311	48432	43916	43155	36824	37899	35424	38224	16331	17691	28850	35772	24985	28253	94260	63689	74620	90771	12665	10357	47178	34779	69238	28467	2696	35609	18463	32607	40507	40243	56939	76306	52787	23184	37335	68457	32724	80753	10723	20284	61319	2544	2173	2802	19084	10810	2609	55524	36238	47141	45628	43584	2293	37475	17351	27852	116413	5749	11695	82638	3673	63047	37097	22516	75694	54973	85294	0	8082	10165	40457	38279	26493	64235	44147	1409	29643	53827	38569	34004	11421	12184	4366	35436	24803	74402	66875	63812	201563	46547	35178	117201	14554	15534	2877	52688	59724	22261	27374	26837	73825	30110	19635	0	82463	20847	1844	41125	70044	Phytochemical	0.33333334	0.75	0.083333336
8	C9 H13 O4 N1 S1	232.06381	232.06412	-0.11151888	232.06378	4089	6636	4725	5786	8055	7603	6996	3478	4548	1656	1877	3069	5211	3445	3547	7572	11634	9332	8056	840	1986	2407	1614	2774	2605	0	7302	0	7111	6910	5343	11595	14410	10284	3035	7109	12226	2968	22179	1628	3325	6622	0	0	0	2270	3942	0	8726	4397	7917	6829	8403	0	5674	2567	3147	8167	2495	4601	7609	1120	3542	4380	2414	5309	4814	18210	0	0	0	4674	7557	4488	12163	7728	0	2919	2458	2847	2560	2179	1741	900	4977	0	3634	7579	9405	3051	0	7038	5942	2402	3183	0	6167	5744	3031	3260	3910	19226	3736	3689	0	7480	4387	0	4266	7275	Organosulfur	0.44444445	1.4444444	0.11111111
8	C11 H9 O3 N3	232.07167	232.072	0.0856799	232.07169	5288	3339	3723	3837	2473	2346	2396	2329	1779	1967	2644	2823	1271	1410	3894	8631	7330	3809	4025	1514	2230	6003	3624	6936	2765	0	2773	2420	3052	1811	1899	3517	4266	3336	2690	3029	5892	4230	8513	0	2248	3132	0	0	0	0	2712	0	5109	3579	2668	4012	3419	0	2019	1324	2248	6708	1305	2942	8031	0	3564	2728	1504	3751	3111	5848	0	0	0	3964	2057	762	1956	3990	0	2061	5552	0	5380	1567	1884	1574	3506	0	5366	5451	5223	21480	0	0	12912	1823	1934	0	5272	2623	1428	1768	0	4096	2727	2578	0	7199	0	0	3771	3688	Unclassified	0.27272728	0.8181818	0.27272728
10	C11 H9 O3 N3	232.07167	232.07198	0.044851698	232.07167	7063	5141	5135	4440	4260	2342	3571	8139	1847	2444	2180	5431	2841	1778	4400	11895	10572	6676	4356	1797	1488	12404	4654	11130	5699	0	5154	0	7681	4909	6683	7366	12432	7184	2227	4696	10435	5445	17789	0	2498	5136	0	0	0	2004	0	0	9346	6393	7179	6761	2879	0	2408	0	2075	11298	0	2455	14003	0	2560	2235	2281	4685	3910	17236	0	0	0	5887	4468	3543	6789	7050	0	4237	8814	0	5805	2411	2290	1302	2790	3074	9315	9301	6317	41155	2841	3498	24799	2049	4128	0	7744	3998	1537	1231	1546	8385	4853	4231	0	14472	1874	0	8274	3642	Unclassified	0.27272728	0.8181818	0.27272728
22	C16 H9 O1 N1	232.07568	232.07579	-0.15585668	232.07565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3214	0	0	0	0	0	0	0	0	0	0	2409	0	0	0	3949	0	6812	0	0	0	0	5307	0	0	1397	0	0	0	0	0	0	2242	0	0	0	0	0	0	0	0	2002	0	0	0	0	0	0	0	0	0	6286	0	0	0	0	0	0	2043	0	0	0	0	26591	0	3364	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2667	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0625	0.5625	0.0625
24	C16 H9 O1 N1	232.07568	232.07594	-0.12924904	232.07565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2180	0	0	0	0	0	0	0	0	0	1396	0	0	0	0	1704	0	1986	0	0	0	0	1284	0	0	25492	0	0	0	0	8372	0	0	0	0	0	0	0	0	0	0	1551	0	0	0	0	0	0	0	0	0	8304	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1399	0	0	0	2954	0	0	0	0	Phytochemical	0.0625	0.5625	0.0625
10	C9 H13 O6 N1	232.08156	232.08185	-0.008053339	232.08156	11937	10682	10797	9534	8950	12817	6522	10228	12242	0	3539	8790	14893	11397	11238	11051	13691	20681	16837	1528	0	6997	12232	12292	9281	0	6644	3103	12464	10662	11566	11735	17115	16173	4004	13988	20124	10899	12167	0	0	12992	1863	1550	2402	3696	1806	1738	10667	8833	12992	12638	12981	1696	13235	6445	7671	16427	3938	3373	11306	0	12614	14772	6321	14670	11017	12273	0	0	0	13783	13775	10960	7065	9888	2077	9568	8372	0	9342	3970	2080	0	9639	6553	13081	14001	15474	9376	16925	15376	17738	2300	1738	2066	9366	7798	7279	6167	9402	10799	13287	3596	0	15597	8358	1990	7032	19119	Unclassified	0.6666667	1.4444444	0.11111111
2	C9 H13 O6 N1	232.08156	232.08195	-0.016519547	232.08156	22200	18108	15716	20411	34708	34305	7713	20443	19671	5503	3669	12005	55745	22752	11375	4971	11178	53063	34528	6542	8404	18060	12989	19928	6867	810	2353	2070	29759	14187	24575	24929	40030	56672	9924	18694	32628	7249	11478	5135	2720	23476	3268	810	1409	8739	3710	969	25718	9939	17340	17687	29462	1343	23618	11758	8435	29849	5044	3424	8913	1377	59174	23323	8360	55364	32613	13307	1732	3654	1821	55659	35373	17619	2217	20337	1056	13166	8364	0	7325	4168	2978	1340	12593	9735	10630	44400	40463	17745	17171	15682	25274	2258	1908	1836	19644	20702	12505	10492	12376	21603	13228	6418	3177	27279	11105	950	7230	74454	Unclassified	0.6666667	1.4444444	0.11111111
8	C9 H13 O6 N1	232.08156	232.08188	-0.03116232	232.08156	16155	16224	13354	15832	17922	21761	8343	18755	22649	1664	5821	14167	27507	12217	17089	19411	19975	28874	27999	3255	4737	14198	18489	23476	13470	0	8495	6541	20140	14757	19909	19071	25706	24768	6026	17958	26216	14090	15960	2789	1936	20753	1218	1226	2229	6165	5056	1069	23695	15259	15199	17343	16574	1810	22141	12005	11004	19473	6940	4145	19892	1938	25438	22288	11734	27810	23781	17105	0	2392	0	26739	18739	16340	12305	13241	1252	13846	9841	7450	11703	4391	3469	0	15617	9919	13383	25988	26187	17059	17583	21023	21518	4226	1775	1631	14933	17508	13362	10940	17824	22871	15493	4991	0	21484	13878	1320	8058	36782	Unclassified	0.6666667	1.4444444	0.11111111
4	C9 H13 O6 N1	232.08156	232.08195	-0.01025636	232.08156	13622	14646	13421	13281	19306	17859	5645	14040	17810	3936	4155	8319	31773	12840	10215	12463	14169	33660	22355	4553	4884	12753	12347	12859	8157	878	7856	0	13833	8745	13956	14620	21908	19006	7719	12171	21482	9240	17882	3431	2158	17389	3256	1303	1990	6272	3269	1650	14919	9657	13237	11299	17418	2050	19801	14874	10299	18125	4039	3625	15312	1397	32517	15833	9804	28019	14908	13301	1863	2143	0	22546	15451	13957	5248	12090	1136	8423	9107	3899	7128	4977	3939	1161	13374	10538	9846	22297	20843	12159	13295	12718	18419	2992	2921	2791	10531	15109	13420	14764	15552	19892	9817	6770	0	15020	12479	1408	5573	43921	Unclassified	0.6666667	1.4444444	0.11111111
0	C9 H13 O6 N1	232.08156	232.08197	-0.09033298	232.08154	6395	7580	4771	6531	15672	12414	1731	8191	5309	2427	0	2450	15869	12985	3151	0	2177	21074	16500	3193	5673	6850	4005	9214	3016	716	0	877	12525	4268	7517	9838	20213	16451	4615	8465	12585	2263	2046	2221	0	11240	0	857	1303	4125	0	868	14060	5277	6116	5684	14173	1030	6136	3888	2186	14781	1351	961	4092	918	24243	9635	1263	13835	16550	1363	1091	0	0	16404	17596	8407	0	8399	1012	4044	2607	1111	2022	1672	0	0	2721	2320	2499	12157	22441	2379	6898	5076	10303	0	0	1220	6242	7643	2625	2353	1782	8789	2408	4323	1145	11023	2549	673	2020	34648	Unclassified	0.6666667	1.4444444	0.11111111
6	C9 H13 O6 N1	232.08156	232.08191	-0.025521578	232.08156	21333	25967	18985	22169	27688	28385	10434	28437	28278	4144	8620	15817	44392	18721	20275	25053	18499	50748	37265	6129	5412	15534	18905	27218	13723	503	7959	7051	28937	17618	29528	33102	39879	40103	9635	24947	38549	16728	22156	2293	2674	27666	2004	1057	1764	9989	3923	1115	27825	18964	25385	24694	28618	1975	30744	16334	14898	33265	5519	5800	33192	1130	35373	21998	14848	41995	29919	22074	0	2682	2763	34414	26897	27172	12600	21564	1161	14157	11854	3331	8830	6111	4630	902	18257	16452	16313	31479	36742	17265	26366	21004	29484	6456	2861	1605	21251	23005	15193	13851	17789	32673	16628	8227	0	30115	18381	1181	8962	58469	Unclassified	0.6666667	1.4444444	0.11111111
0	C8 H13 O5 N3	232.0928	232.09317	-0.105051234	232.09277	0	0	1896	0	1713	0	0	1458	1690	0	0	0	2913	0	1847	0	2920	2005	2390	0	1987	1762	1317	2418	5407	0	0	0	4034	0	2708	0	5921	1464	1042	0	2334	2539	4159	0	0	2745	0	0	0	0	0	0	1942	0	0	1821	2794	0	1937	684	50744	2015	0	0	0	0	3775	1528	1647	3435	3247	7175	0	0	0	0	0	0	0	0	0	0	1610	0	1146	0	0	0	1383	1384	1202	3084	3387	1965	0	0	3056	0	0	0	0	0	3275	913	0	0	0	0	0	2973	1127	0	6666	6977	Peptide	0.625	1.625	0.375
6	C13 H13 O3 N1	232.09682	232.09717	-0.02521039	232.09682	38541	43020	32654	42553	36169	23705	27366	30943	30716	69601	53783	20877	33781	20203	24984	45753	36686	38758	50049	70178	82509	54197	25945	39739	28080	44358	24426	45216	30422	25906	30519	32764	49752	30409	77681	27293	45560	22861	46737	42246	60300	24242	3166	2507	2689	35517	42623	2922	40073	25411	44118	39460	30255	2649	29928	20789	19735	52065	13188	26545	43964	29740	36028	21659	13594	39243	24773	54134	35912	53735	72014	27545	31868	26128	26745	33005	2203	17516	28425	33603	25008	26124	21053	36244	20742	20270	34786	34101	32455	65714	38939	33133	58648	36599	57620	3361	38056	32887	18337	18803	23653	42465	23469	33441	18934	37872	18680	2722	25227	39348	Phytochemical	0.23076923	1.0	0.07692308
16	C13 H13 O3 N1	232.09682	232.09709	-0.020307215	232.09682	49465	50928	45979	49499	46341	38052	45924	43964	29969	58431	60809	33633	27492	30868	33637	70299	65348	64112	57763	64205	72895	74164	50181	83343	41390	30484	37932	59287	44329	39572	43698	53441	73073	44378	58244	44641	74525	30858	69164	81135	115140	40332	7201	3851	4026	53795	59906	4867	57596	40326	49603	57596	44545	3939	26823	22590	32002	79558	36433	69396	62666	45790	30600	25187	23875	52746	37541	60172	24520	34963	40154	43660	45635	34829	42587	44578	3040	22977	52909	80623	65084	53180	40437	59545	35597	29520	65363	60529	44961	150630	77096	79899	101358	76170	84440	5162	50933	55906	25763	21845	27312	73501	30497	50868	28423	99419	24847	3955	58330	40901	Phytochemical	0.23076923	1.0	0.07692308
4	C13 H13 O3 N1	232.09682	232.0972	-0.053382985	232.0968	38481	42432	33328	36423	34567	53490	25862	51616	27278	59471	41924	27785	33620	28282	40736	56723	39879	45437	48188	62557	76826	40823	29678	35605	40546	26372	25153	34643	52698	44699	47223	43012	54116	31511	65103	47449	48945	29401	45823	39907	47543	41568	3360	2891	3675	31218	37356	4055	56803	41809	42349	32279	33024	2937	36616	21203	22418	57598	8934	21587	60634	23148	30195	29108	16118	33588	34316	41942	29931	38731	45562	41698	45178	55980	27853	44705	2201	34238	33483	27066	27468	20659	15290	25261	26488	22736	33922	31338	34411	53657	30312	23022	57422	27822	43977	6947	34774	42828	24595	27979	24890	48560	34789	26636	22442	46977	20497	3737	24266	34457	Phytochemical	0.23076923	1.0	0.07692308
8	C13 H13 O3 N1	232.09682	232.09715	-0.033955917	232.09682	39924	42816	32481	34826	25881	22745	27136	36483	27603	53099	38698	24207	24722	17418	25075	45953	44015	28718	37933	51028	62636	50941	26116	39770	23444	45595	29335	29279	28346	27806	33324	37055	43266	30990	55387	28542	43859	24768	57464	45637	72854	26493	3526	2335	3078	33638	41232	3223	43024	29318	34972	41818	27437	2654	28283	16173	20323	44873	16447	32418	43617	28135	29479	27046	15271	30832	25684	52271	37811	45095	55206	27703	26134	22832	26364	35140	2660	18989	38685	41343	26815	26691	21522	36243	23817	18740	41505	34304	30112	81004	32382	34585	68779	37251	52047	3502	40978	35013	20014	22161	21269	42619	23786	32538	13818	34420	17787	2331	28966	33689	Phytochemical	0.23076923	1.0	0.07692308
10	C13 H13 O3 N1	232.09682	232.09712	-0.053387135	232.0968	52971	46929	47428	40677	31662	23797	32453	45788	27324	53740	36168	29585	27703	16600	30678	69031	54739	48995	50237	69512	70056	68188	29035	59433	33219	62831	44184	35563	40123	33393	34566	42232	56909	41775	62927	37808	59224	26961	66288	51614	92484	32032	4277	3800	4168	36652	42850	4485	47295	34593	45310	48807	31816	3721	35504	22623	20979	70526	23171	47817	70713	32713	29362	27380	18249	33345	30528	69077	52909	63404	76422	37656	28773	23337	48278	40355	3575	25343	46126	41183	37990	33715	32137	36163	25593	26216	50437	42526	33926	112258	52552	45443	91808	42786	76236	4770	48632	42933	24615	22027	23588	53714	28438	43237	14590	56955	20775	3888	38406	41037	Phytochemical	0.23076923	1.0	0.07692308
14	C13 H13 O3 N1	232.09682	232.0971	-0.038130026	232.09682	79561	86515	70397	76531	65518	42562	59681	63072	43072	88120	93085	45210	50618	38672	42239	86312	72106	68469	69423	95489	105175	115476	39968	62199	57809	54651	60524	81416	55227	47935	54398	61112	84049	64386	101360	51430	90998	41883	89214	109943	166541	53597	4002	3611	3148	66125	81448	4264	74342	42332	70475	73215	57263	3336	43447	35774	36522	102693	28909	83278	67304	55281	45471	45708	28084	65943	50894	89999	40639	59919	106218	51535	51622	40493	58120	62515	3004	43402	54972	94428	49775	52777	65532	109746	37726	35837	71296	75523	68130	168091	104471	88646	129986	83998	120267	4955	81560	67121	35582	39011	38917	73874	38851	70520	35342	90958	30755	3606	70819	43847	Phytochemical	0.23076923	1.0	0.07692308
12	C13 H13 O3 N1	232.09682	232.09712	-0.046833806	232.0968	77928	101284	75420	81048	58707	46620	60335	66169	51828	76810	76913	35277	53450	35190	47857	137200	88453	80446	106189	86180	88885	148473	49175	115456	60475	54204	67280	43591	55849	56009	65016	77183	96046	68969	83701	66897	92862	45859	114153	81904	124263	60198	3535	3329	3488	62791	77224	4324	96060	55557	76052	92551	65474	3247	52180	33070	35026	125919	31023	61785	93055	48219	62591	43898	29972	74678	57867	93054	43337	77281	96593	56425	50845	45776	83299	67110	2300	37903	71590	64435	61338	48493	50271	52378	46820	41702	95432	76216	66792	247557	128176	116033	225722	63622	115511	4235	80331	90535	43931	37578	35461	102674	43508	75697	29217	109719	39679	3258	71671	73250	Phytochemical	0.23076923	1.0	0.07692308
18	C13 H13 O3 N1	232.09682	232.09708	-0.042205155	232.09682	31168	23610	23110	25324	24421	20373	18656	28526	33364	28709	36112	19719	12330	19539	20281	47334	27648	30377	24088	26673	26212	42243	32820	52716	24416	8738	19957	30690	20272	23343	25076	30202	35274	21499	22636	24873	38804	18261	29227	36130	60392	24173	9019	2774	3192	28646	30295	5571	27004	21349	26400	27472	23826	4825	11194	6958	14714	43300	16811	33729	42088	19811	16333	12076	13098	21210	26606	32975	7832	12818	18054	21081	20290	16037	18568	20574	3109	12508	21842	41769	25043	24513	19698	23305	11144	17537	32168	30944	24263	52775	51219	46826	65746	26596	38083	6774	27692	24534	158494	14316	11221	26287	20745	32885	13923	51942	28379	3621	30500	24840	Phytochemical	0.23076923	1.0	0.07692308
2	C13 H13 O3 N1	232.09682	232.09721	-0.02328159	232.09682	26611	26746	20068	24345	25146	21051	16212	25989	22819	23234	25678	17667	23894	18723	21680	29704	29104	35836	35676	23314	30590	28043	23404	23384	14944	13765	15304	18190	24456	21299	22643	23873	33926	19228	31855	22965	29566	17432	30239	20925	23596	26225	2843	2441	3192	16943	16217	3317	26751	20667	22108	23233	23802	2490	26143	13740	14297	30984	6397	12979	28027	12244	20391	24801	12736	25176	24176	35938	16982	20049	20304	20306	20307	16888	30373	26309	2800	17623	24601	14535	20826	11517	9348	14226	15423	13385	24851	29937	29160	44621	16300	14286	40209	15589	18061	6141	22882	25830	17310	16369	15391	29869	19145	15950	11604	33630	13592	2703	16640	27075	Phytochemical	0.23076923	1.0	0.07692308
20	C13 H13 O3 N1	232.09682	232.09708	-0.019987065	232.09682	8401	11817	7127	7330	9642	6556	8566	8425	6053	5541	7269	6224	3677	8450	7610	11459	12423	7282	7446	3403	7571	14908	9311	15111	5184	2234	6231	26962	8394	10901	8370	8228	12670	11805	4023	10275	13673	6989	10325	8798	10877	9073	3705	4379	3101	7145	5189	4885	12448	6440	11674	7918	8640	3229	5512	3689	5069	14543	7086	6222	16563	1993	3884	3689	4322	10733	8760	13502	3609	2101	2782	14550	11582	3268	7344	11690	3025	3868	9301	16960	11101	10682	8364	0	3825	4161	10250	13626	10645	24099	13278	10846	21229	9123	4578	3701	7079	9371	4752	5075	6326	18350	10565	12144	3504	11543	3397	3072	10809	10380	Phytochemical	0.23076923	1.0	0.07692308
2	C12 H13 O2 N3	232.10805	232.10846	-0.009431866	232.10805	14955	14067	15368	13859	8150	0	12255	21582	11230	25077	19529	12288	5471	4902	12446	15344	19590	12650	12994	20968	22210	18884	12150	23898	12900	5363	7006	29627	16464	14717	16490	14712	18066	17010	23319	14084	16102	10743	22938	12353	13636	11498	0	0	0	12044	15181	0	20301	13949	14580	14737	10023	0	5939	2200	5033	25677	2088	6527	16070	5393	8259	5074	5932	8904	11995	28869	4592	8969	7947	15751	15331	11780	15506	14782	0	9116	13213	22072	12012	4324	4644	7443	5429	6191	12885	14595	13136	42663	17286	10083	45464	9697	9236	0	13669	13774	5320	3170	3741	13764	9329	11714	5359	25787	5083	0	15764	10305	Peptide	0.16666667	1.0833334	0.25
4	C12 H13 O2 N3	232.10805	232.10844	-0.002060716	232.10805	13035	15515	13508	13924	7324	7086	8944	18061	4520	15771	17237	9793	4352	4397	10773	27020	17290	10634	12117	16470	18845	16509	12395	27442	17296	7058	8068	28029	15513	11399	13510	13866	18749	12266	18471	14395	17472	10901	21025	10602	18437	12491	0	0	0	14096	11640	0	17611	15608	15213	11376	9778	0	6416	2385	4982	21243	2280	5926	23908	7937	4637	4303	3810	6928	8771	21491	5395	8708	11627	11619	10799	8379	13763	10676	0	9907	14114	22983	11541	5204	4040	6956	3964	6014	13165	13324	9658	34810	11677	6625	39643	11296	11821	0	11704	13756	6110	2946	2652	16101	11041	9861	6879	20821	4225	0	13574	4610	Peptide	0.16666667	1.0833334	0.25
6	C12 H13 O2 N3	232.10805	232.1084	-0.03699587	232.10805	22708	24913	24671	24025	5452	8903	20972	52314	3817	24688	17006	16634	2906	3938	29618	78708	24827	8586	13083	22964	23469	16545	20277	67536	58730	8146	23939	21568	55822	39048	40662	56519	56952	43559	19857	52908	58055	24648	33301	12604	18132	17799	0	0	0	19177	16753	0	56215	37649	26055	23959	11056	0	6295	2666	7691	64334	3274	9965	53069	7127	2666	3922	5242	7732	16048	31207	5673	15184	16252	31174	31257	31310	19557	44829	0	23097	14674	11758	16290	5041	5368	11498	5559	6179	21953	21594	19003	53668	27247	8808	61838	11684	16255	0	25309	20915	7988	2196	3763	53325	25602	11724	0	58079	5243	0	24432	4899	Peptide	0.16666667	1.0833334	0.25
10	C12 H13 O2 N3	232.10805	232.10835	-0.029677436	232.10805	15353	10626	11066	11196	4072	4957	8168	13729	2229	7282	5694	8582	2675	1875	7114	29167	19766	4520	6224	4684	7413	15822	9844	26382	14108	2757	12104	7498	11538	10671	9439	12135	13900	11279	4377	10205	10789	10730	23489	5890	8841	8590	0	0	270	6848	4601	0	16473	14999	9837	11424	5953	0	3061	0	3465	26468	0	6027	26175	3453	1422	1396	2679	5765	5474	24937	0	5904	5379	11257	8031	6193	15563	9104	0	6530	15379	11392	14647	3398	2413	3116	2181	1848	16973	13866	7497	78174	7199	6679	53333	6028	8933	0	9570	10957	1940	1391	2097	15716	6537	6496	0	28216	1874	0	16008	3673	Peptide	0.16666667	1.0833334	0.25
8	C12 H13 O2 N3	232.10805	232.10838	-0.006479494	232.10805	9794	10975	7795	9004	3294	3496	9119	13690	2783	11531	8824	6101	3499	1294	9871	16166	14755	8255	6379	12541	15431	16933	10829	17229	9359	5368	9000	9621	10032	7041	8384	11297	15358	9283	13289	8401	13264	6894	16933	9965	13336	6680	0	0	0	7449	8697	0	12790	9846	10977	11831	5995	0	2753	493	3239	13100	2452	7529	11850	4863	2248	3447	3068	6238	6063	18943	4496	5916	8686	11028	9569	5068	10578	9740	0	4749	11063	8411	9609	4559	4557	8587	2749	0	12633	6888	7212	45080	10382	6413	31844	7625	12807	0	11437	10029	2882	1659	0	11298	6269	9785	0	19112	2565	0	11027	3844	Peptide	0.16666667	1.0833334	0.25
10	C10 H17 O5 N1	232.11795	232.11824	-0.07225363	232.11794	77173	68164	67632	65815	92624	93576	71704	115941	67554	20886	26710	85805	118459	103106	88608	114597	100373	174676	147287	27668	24872	38338	78501	75171	109956	9759	54880	99723	131411	115306	108346	114833	109590	127734	27491	135051	104875	67874	102859	10315	11273	101262	11689	3756	5210	33476	15982	3880	97560	88717	70455	70440	89790	7411	91516	42947	45020	115221	26697	18387	122407	5402	80785	67178	65510	122166	94308	93857	8280	15471	7658	108305	129067	152124	109657	110359	3177	70830	56092	64368	44380	24670	40612	22125	83664	88067	89275	88551	92588	61947	101255	72740	82291	25261	17006	6588	72946	91656	53642	58772	90685	123781	83542	35051	34566	79356	72723	4653	69510	104088	Lipid	0.5	1.7	0.1
12	C10 H17 O5 N1	232.11795	232.11824	-0.07056721	232.11794	27562	36910	31166	34242	38606	38596	38201	43529	27561	3750	8414	33383	33952	49441	37693	54035	71831	58846	53959	11854	9620	13749	44829	38585	33149	2860	28891	10024	59718	44615	39159	56655	55272	63664	5486	59434	48543	40495	72401	3008	0	58669	6424	4171	4991	12974	6155	4925	48555	35627	33169	30519	41092	7135	51953	29702	25001	54648	6859	6825	37282	1996	34388	29081	33570	49945	45473	66304	0	3782	2284	39436	46083	42104	74904	39599	2592	30448	33024	30440	29089	11446	8649	5986	35478	30792	51949	48224	50465	40553	41810	27163	31128	3386	6775	7764	30052	34865	31561	33885	45231	47135	26313	6738	0	34681	38331	4277	43369	38555	Lipid	0.5	1.7	0.1
0	C9 H17 O4 N3	232.12918	232.1296	-0.12665781	232.12915	5800	6032	5968	5515	9251	19528	1649	9224	9415	1461	0	4576	9846	5048	5204	3164	8898	14262	16182	1889	4792	5982	5777	4810	7524	0	0	2558	26594	3034	20481	8538	56019	10377	3692	10552	18580	3895	14044	0	0	29460	0	0	0	2395	0	0	12869	3547	6117	6018	31547	0	9758	3620	3464	10830	1296	883	5802	0	19698	7139	7564	23409	46054	12012	0	0	0	9149	12579	7163	2707	10427	0	4786	3777	6976	3001	0	0	0	4289	4929	5792	20305	33215	10561	17776	5821	9796	1995	0	0	5886	7373	4259	3726	4678	14983	5311	2063	0	10568	6435	0	4511	25198	Peptide	0.44444445	1.8888888	0.33333334
2	C9 H17 O4 N3	232.12918	232.12958	0.027897239	232.1292	4616	4804	3883	3723	4034	0	1562	4044	3989	917	1200	2406	6195	1311	1993	5559	5312	8186	7796	1286	954	6045	2527	6699	2664	0	0	1994	3753	3538	4393	4558	7378	4370	1487	3936	4825	2544	6932	0	0	8493	0	0	0	1261	463	0	7876	2706	4156	6813	6485	0	4516	1370	2904	8286	408	447	4543	0	5661	3927	3683	8402	6107	7764	0	279	0	3133	5277	2151	1990	3331	0	1591	5253	0	2763	0	0	0	3038	3109	5789	8946	10219	56814	1737	2409	16875	306	785	0	5512	4525	1666	1760	2389	7770	1860	1499	426	9699	1963	0	3986	11115	Peptide	0.44444445	1.8888888	0.33333334
10	C14 H17 O2 N1	232.13321	232.1335	-0.06210223	232.1332	25898	27267	19251	19142	10390	9116	14286	19992	7469	35760	24330	11525	4875	4262	13309	28823	26160	12587	14783	40085	44223	31780	14106	26882	15080	29530	18930	25611	21167	16720	14902	20962	28453	22606	42939	20830	27805	11988	28887	36725	44416	12412	1115	1321	856	24240	23474	1156	27446	13550	20412	21947	12176	708	8651	4395	7453	25955	4936	25472	22866	16218	4907	6639	3735	9022	11041	33928	24611	39787	38327	20598	15846	12024	26241	20721	0	10785	19981	22749	14489	12169	9231	19484	7008	6831	20544	13720	13409	48780	33648	16367	47937	31151	52685	998	17290	20325	5737	3158	5335	26450	14282	21027	0	24586	4682	941	17365	8228	Phytochemical	0.14285715	1.2142857	0.071428575
12	C14 H17 O2 N1	232.13321	232.1335	-0.04298329	232.1332	19329	26112	22562	23802	6738	7337	13444	11659	5802	42903	26530	8877	4228	3795	9308	27135	27580	8074	10178	51117	52882	38748	7762	21298	11451	44955	18842	21015	11572	16188	12014	20870	20186	17888	38207	16489	18951	9345	27793	44886	68545	9779	638	596	685	22314	29349	892	20235	14601	21282	22376	6669	716	6093	3766	6263	21124	0	18225	18464	20515	6385	4583	4139	7468	8405	26503	29738	39154	58728	13264	12471	16004	27085	17249	478	8016	12703	15919	10145	17442	16228	24338	5104	3639	18106	9977	7807	45599	29614	24712	33855	27667	56955	840	25443	21533	4357	3273	3835	21334	8887	15529	0	18479	3534	634	17605	5208	Phytochemical	0.14285715	1.2142857	0.071428575
14	C14 H17 O2 N1	232.13321	232.1335	-0.025286227	232.1332	39157	42950	37974	40333	15272	13129	20296	15840	7499	137449	100892	14772	4542	9473	8726	15814	25775	13141	12777	121105	148304	66175	8714	16043	12430	95328	23780	93263	12596	13257	16074	21842	23198	20043	141277	17786	23238	10630	36195	98530	170664	13810	0	880	657	26785	51381	1043	26281	16582	46167	38630	13124	777	7472	3833	9611	31348	12466	45946	0	44676	7335	5485	6145	8664	12679	38788	59265	72316	153025	19362	15702	13063	16892	18673	725	11836	13524	54719	12840	26667	29235	85059	7014	5236	20559	15120	15507	50580	57447	40071	32035	78549	124993	924	38638	32584	5449	3260	2940	12356	13007	33561	0	22331	6629	618	19216	7384	Phytochemical	0.14285715	1.2142857	0.071428575
16	C14 H17 O2 N1	232.13321	232.13347	-0.054026846	232.1332	32790	38369	33980	33802	15265	13872	22622	33792	5812	78363	86999	48668	7223	9435	38248	45294	53212	15680	13421	89949	111673	58936	18486	35510	14349	91658	23595	68172	38872	38220	39624	44659	42512	36326	96259	38602	44099	30698	64807	72810	119206	14475	7462	911	832	32599	48067	1073	58583	39354	39797	48688	21784	1097	9833	6003	9586	43428	20731	41826	39609	40156	5670	5918	9478	15557	18652	65686	66067	76083	132053	35990	36629	38442	45123	40074	733	41059	14904	62176	12676	26050	27383	56868	7630	7357	21739	24232	22612	56657	43136	46317	34928	74321	91686	1202	40058	35185	8635	6831	6047	37878	36120	35931	16227	39874	8357	1169	24195	11774	Phytochemical	0.14285715	1.2142857	0.071428575
20	C14 H17 O2 N1	232.13321	232.13345	-0.036250655	232.1332	8752	11831	13898	10518	11844	7549	6622	37279	3446	11561	19446	6155	2208	4512	9000	14475	12818	6749	5874	14217	20355	16704	3338	12882	4496	31666	6084	21802	22602	7369	23435	6867	15500	10552	17612	17859	23665	5697	15483	17330	31391	5824	1458	865	595	9955	14770	616	16554	9062	8108	13697	8028	728	2595	3037	12332	13091	3512	12663	8429	9259	3902	2620	9422	5007	7729	12221	21972	18299	31901	8836	7157	7437	10290	12070	621	4441	6012	20537	4467	12193	8536	15757	9276	17671	7655	10455	4643	19746	27465	17352	18511	16608	16274	937	6170	7836	4484	8434	14718	58609	6544	12588	9797	15963	12694	1177	5654	4645	Phytochemical	0.14285715	1.2142857	0.071428575
4	C14 H17 O2 N1	232.13321	232.13358	-0.08592865	232.13318	87393	95009	84692	89088	45563	35424	51055	75211	31341	251983	124813	51513	31770	25906	36546	107339	94935	51706	76443	252419	276864	118762	43543	87686	41249	115946	55931	139820	82816	54426	68957	93287	127185	84369	308383	81387	128477	39090	106727	108446	95160	39710	1477	948	929	55251	64412	1305	104957	64551	94150	73605	45266	674	44109	12533	20827	103836	3009	14117	88722	51822	36249	33876	15269	49424	40931	120466	75017	119049	175900	68332	82579	69847	116144	74879	575	48504	64673	69926	45552	13861	16228	110444	23607	17516	81120	60295	57115	208356	106488	31546	170988	99398	183377	1493	85459	91070	24706	20308	19839	106281	45635	69076	27504	87536	18383	1117	55665	38430	Phytochemical	0.14285715	1.2142857	0.071428575
18	C14 H17 O2 N1	232.13321	232.13345	-0.05249886	232.1332	25583	27257	25073	21231	16941	12458	18585	19480	5676	38975	42244	13166	5336	9526	12030	28222	36487	12458	8423	54920	51084	31917	15358	27356	12370	62459	19410	47687	22555	21005	19095	21584	24573	30292	40448	31625	25746	9218	41048	34958	73127	13351	2371	808	825	23299	32555	981	29194	17900	26957	17943	12915	947	7122	1562	6220	25414	13722	28603	23905	24196	6146	5610	7459	10441	12678	41744	45036	46997	76666	14860	18255	20036	23754	18724	663	15601	11912	37198	11262	22071	18126	29993	5120	7576	15343	16959	12546	39634	28160	33985	28429	33895	32332	1290	22269	25257	5677	3433	5961	33734	10453	25792	13221	22518	6902	935	15401	10281	Phytochemical	0.14285715	1.2142857	0.071428575
8	C14 H17 O2 N1	232.13321	232.13351	-0.08850762	232.13318	60451	64654	57160	63476	24037	21055	36735	75197	17406	113826	68745	45828	16055	11785	42286	91688	69314	21809	38235	114110	126736	53219	53399	140494	64335	54360	52040	60076	61611	62135	58770	70609	78642	66484	129625	54267	79118	42313	90927	59373	55111	27771	800	826	831	57523	58418	804	77302	69419	58506	62711	29235	671	18218	8092	17168	74648	3750	21320	77654	23168	18985	17137	14347	28721	25767	100170	32823	66097	79223	75492	61208	47474	61768	68686	548	44844	87104	65733	58320	13506	8621	49190	14182	12396	106324	38338	31280	160574	77408	16779	135825	55624	78963	1068	57242	54194	11823	12060	13746	75749	39156	35278	14059	86631	11667	874	88092	18773	Phytochemical	0.14285715	1.2142857	0.071428575
14	C11 H21 O2 N1 S1	232.13658	232.13678	-0.082281604	232.13655	16377	12915	14307	14475	0	0	5135	45388	0	0	0	6284	0	0	5792	22162	17936	0	0	0	0	23935	12202	42106	10591	0	2133	0	28367	30027	59403	35874	26915	51665	0	14566	27292	8926	15886	0	0	0	0	0	0	2339	0	0	58464	21099	17000	11071	1866	0	0	0	0	100978	0	0	42149	0	0	0	0	2442	0	33315	0	2692	0	56828	34539	18280	11218	23337	0	7627	7729	0	27319	0	0	0	0	0	2644	10694	0	156985	0	0	110685	0	0	0	11266	11372	993	0	0	12843	6601	0	0	54910	0	0	11438	0	Organosulfur	0.18181819	1.9090909	0.09090909
24	C11 H21 O2 N1 S1	232.13658	232.13676	0.048510194	232.13658	0	993	0	1092	0	0	0	5579	0	0	0	860	0	0	0	1709	4784	0	0	0	0	1909	0	4576	0	0	0	0	0	2211	3345	4389	2868	3755	0	2266	0	0	3139	0	0	0	0	0	0	0	0	0	4196	1543	0	0	0	0	0	0	0	18017	0	0	3848	0	0	0	0	0	0	4079	0	0	0	2742	4862	2812	0	4624	0	1197	0	0	2351	0	0	0	0	0	0	0	0	24731	0	0	5834	0	0	0	0	1229	0	0	0	0	1337	0	0	4064	0	0	0	0	Organosulfur	0.18181819	1.9090909	0.09090909
0	C8 H17 O3 N5	232.14041	232.14061	-0.49730417	232.1403	0	0	0	0	0	14390	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4209	0	0	0	0	2392	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30464	0	0	0	0	0	0	0	0	0	0	9589	1501	0	1397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	2.125	0.625
2	C13 H17 O1 N3	232.14444	232.14479	-0.12184569	232.14441	9140	8162	7605	6254	813	0	6797	11203	532	9727	3670	5134	385	1235	6424	14894	12615	1998	4743	8893	9596	8597	6136	11010	7849	1881	6834	7326	8631	8999	8004	9133	7836	8386	9052	11307	8034	6189	12995	8424	7538	0	0	0	0	4532	6773	0	12903	8770	7489	5974	1889	0	374	0	1794	12315	297	1220	12502	3677	0	770	0	2035	3115	18450	1109	3229	2995	7896	7212	8697	19611	8352	0	5122	9487	5746	8995	1532	2589	7354	0	1817	8709	4422	3903	24362	6078	3484	20104	5153	10202	0	7710	7605	578	0	0	9260	4956	12305	2497	10786	0	0	9829	517	Unclassified	0.07692308	1.3076923	0.23076923
4	C11 H21 O4 N1	232.15433	232.15471	-0.100930244	232.15431	22585	21884	22176	20255	28656	14856	11076	19573	21317	6088	5367	12044	26130	43429	8585	33972	42814	28477	19915	6922	5352	10669	8593	21717	11648	1282	11318	13659	33554	26509	22211	26030	41442	34355	9974	34965	43544	8266	45953	3243	2716	15961	0	0	831	7591	3822	0	50954	16134	21571	16892	21440	366	19360	9254	8833	34430	2695	2151	27298	1481	17925	12324	32171	41973	33213	42545	1494	3745	2914	16724	26907	27869	37204	29815	0	9990	8103	4044	6934	2834	2673	1773	8944	25658	10960	72763	23924	20754	29921	23538	17817	4218	3354	0	18098	24658	8403	16982	19425	38305	11124	7504	0	31729	14507	0	8319	29525	Lipid	0.36363637	1.9090909	0.09090909
6	C11 H21 O4 N1	232.15433	232.15466	-0.08125795	232.15431	11345	12390	11334	9886	12149	12339	4615	13808	7592	3720	2945	7061	18782	7963	12241	22149	6841	14870	19550	4788	2660	11582	15215	18604	7039	1085	5454	8307	11937	9977	12774	10763	22650	13451	5161	12427	21368	9823	8374	1609	1331	8602	0	0	0	5038	4222	0	12933	7798	12282	10748	9295	590	9274	9680	5369	22682	1782	2201	21728	0	10513	7508	6014	14894	12181	9441	0	2485	0	9981	10626	14550	5323	8751	0	5844	9517	17040	7158	2244	2932	1873	6421	10043	18869	13424	24161	20629	25373	13654	30263	3789	1674	0	13280	10822	6211	8951	10628	22178	6774	6078	0	21494	8131	0	7255	14792	Lipid	0.36363637	1.9090909	0.09090909
8	C11 H21 O4 N1	232.15433	232.15465	-0.07131363	232.15431	7911	7027	8725	9782	7218	7320	26409	11561	2577	3409	3685	5417	6952	14385	6329	14674	14321	9015	8544	2634	3723	2750	7357	8137	6569	30115	29178	3698	13388	8444	10559	14045	16617	12358	4498	13121	20256	4664	15375	2241	5735	13266	1656	0	0	3773	5220	0	15148	11477	10012	9403	4909	535	3187	26587	17715	11304	1820	5897	15006	4420	8588	3709	72935	10846	12473	14794	14062	3620	5151	8509	9707	15215	11062	10217	0	6144	3461	8640	3600	18351	20208	116332	5687	5895	7381	7523	9429	8099	23871	9659	8906	2633	2044	0	10089	11467	28543	3289	6180	18137	5977	7469	0	10011	4830	0	5882	7239	Lipid	0.36363637	1.9090909	0.09090909
16	C11 H21 O4 N1	232.15433	232.15463	-0.021368708	232.15433	10247	7768	11035	8970	5225	11854	70762	22486	0	0	3544	6795	6856	407114	19905	13760	15204	6090	8011	2680	2299	0	11605	9993	13802	19750	38799	11486	22098	28717	22024	14051	5462	20896	0	27429	8478	9866	11134	0	0	16799	43131	1476	1673	2645	0	1116	17161	20137	9721	9284	7569	4196	1783	11830	9225	13842	2581	2719	19026	1875	37986	1244	135043	18830	71317	11397	7035	7627	1359	23440	31914	41996	15876	23343	1567	7508	3855	13818	4339	3048	170512	128117	1713	6535	11598	9052	8089	0	9392	6945	0	1434	0	2115	6950	16633	8041	0	3791	15461	7582	1937	0	11812	1875	1235	6606	6262	Lipid	0.36363637	1.9090909	0.09090909
10	C11 H21 O4 N1	232.15433	232.15462	-0.07021209	232.15431	8908	11545	9215	9151	8796	10281	21197	12748	2530	2290	3543	6568	8749	123701	7453	19789	15775	15170	10282	4454	1684	5944	6402	6566	8408	9423	13636	8867	19751	17891	9731	18150	8585	15027	2134	16402	10987	5068	15239	1852	2996	12370	9693	0	0	5571	2969	0	10475	13122	12412	11916	6282	1305	2980	9088	3935	17583	0	6562	24530	1549	20613	2655	64508	10992	38657	18486	0	4207	5778	10553	18653	26597	13627	13885	0	5268	6870	16060	3144	5111	26818	37288	7368	8068	12444	13265	8836	10547	18790	25608	8658	3750	2970	921	8647	11619	6551	4348	9061	13150	5708	8291	0	10190	6121	0	6847	8667	Lipid	0.36363637	1.9090909	0.09090909
14	C11 H21 O4 N1	232.15433	232.1546	-0.011721114	232.15433	30752	30645	28812	23921	7474	51762	65410	109935	6587	4127	2007	30409	8238	279522	126358	61654	12292	11753	15747	1913	1629	5717	86405	52261	126568	19491	37115	0	128760	133853	111781	125990	47630	123353	2871	170437	31009	75750	9585	0	0	67789	5397	530	620	9058	0	485	70761	81048	23805	31098	8795	4054	6284	5930	12764	80248	0	6313	93909	0	27551	3039	81645	13966	59642	7985	0	10078	0	112759	122714	206849	11362	94725	547	71965	10103	0	80977	5331	72882	87593	1962	15011	88481	15476	43998	4424	19245	9381	39266	0	6694	1306	23274	35071	12220	1260	2297	59333	64146	2119	0	52075	2611	657	50842	11416	Lipid	0.36363637	1.9090909	0.09090909
0	C10 H21 O3 N3	232.16557	232.16599	-0.19544922	232.16553	5133	4682	5063	3641	3769	0	3713	8071	2236	1362	1961	3315	4351	0	7429	5489	13573	6646	3895	0	1064	3950	4390	3910	4718	0	0	6668	13134	4661	11136	4942	14830	9617	4085	6214	3729	6042	16111	0	0	2988	0	0	0	1358	0	0	12421	7038	2914	5246	3480	0	3149	866	1553	20922	367	0	6659	0	3177	2312	6379	4217	6792	13450	287	0	0	7969	7838	5838	2013	7598	0	2731	4562	9828	3038	0	0	0	1197	14033	8223	6629	6896	8040	24124	15925	6452	2269	0	0	4254	5717	1126	635	1005	2920	2504	0	0	8487	1306	0	6529	8341	Peptide	0.3	2.1	0.3
2	C10 H21 O3 N3	232.16557	232.16592	-0.09458365	232.16554	5439	6064	4142	4714	1972	0	1259	3659	745	770	0	1394	3099	357	4975	9182	3739	3749	2263	704	511	4011	5948	9123	5498	0	2345	2303	7104	5939	3693	9908	5759	20356	1594	5871	5340	4376	4048	408	0	0	0	0	0	725	309	0	16448	2300	4507	3721	1381	0	860	0	1489	9294	318	0	14620	0	2081	774	0	9816	2658	5861	0	597	0	11188	12238	5240	3837	3516	0	1786	11668	0	3096	0	0	0	399	6809	35533	6790	4679	34793	10137	4376	11537	742	723	0	4295	4658	605	279	363	5660	1433	1124	339	5394	0	0	3269	5189	Peptide	0.3	2.1	0.3
6	C15 H21 O1 N1	232.16959	232.16992	-0.06574753	232.16957	26610	28044	26145	25303	4020	4124	10494	29296	1581	49480	28064	12817	3340	7069	11412	34948	14989	4601	7521	49094	55085	69749	12402	33580	16302	29377	12392	29309	24820	29723	26698	34588	25831	30019	57121	23795	28485	12944	17916	34147	4241	4902	0	603	591	26086	41763	718	31212	26454	28942	27539	5153	567	1799	2176	4559	32512	0	644	31497	13819	1385	0	3918	7547	10218	41290	13632	27312	29734	30534	31706	38099	32900	34148	499	11605	13177	150768	14007	2365	1039	36188	829	1593	14786	9779	11580	62316	180680	10451	50580	164244	360508	702	30021	23795	2579	1606	1578	25363	13673	11577	23003	32948	1100	731	12502	2491	Lipid	0.06666667	1.4	0.06666667
4	C15 H21 O1 N1	232.16959	232.16997	-0.075610265	232.16957	60131	65756	60169	58624	3488	8869	38634	143300	2952	80198	38374	56751	2034	4771	43315	136870	83347	8489	15055	96483	91825	32253	37941	145419	47962	17653	53050	47313	101046	86285	103441	123814	94254	105757	97549	115345	91090	47717	81865	49219	10678	18402	0	669	523	33454	25642	802	146644	131364	64641	52417	10945	669	3361	1800	8096	119622	755	534	116487	20001	2405	3670	8703	8752	17354	131731	10463	20034	23189	109264	110552	147838	129864	106215	525	56946	51506	19208	58063	2565	2674	47348	1662	5984	40886	26502	27573	141965	55279	2766	175314	30547	76607	1645	63161	59982	2138	988	1504	82139	46142	43392	11490	108933	1546	1212	45619	2044	Lipid	0.06666667	1.4	0.06666667
8	C15 H21 O1 N1	232.16959	232.1699	-0.061921727	232.16957	9035	8569	9648	7799	2276	3387	1871	6702	1283	21603	11970	3528	1357	9299	3021	12687	3955	2049	2365	20411	21497	27760	7277	11930	5196	17350	3643	17136	5532	6486	5733	8123	6259	8470	21158	5421	5032	3466	2520	9294	1813	4338	472	723	601	5960	11238	834	7076	4382	6550	8258	2298	738	1487	766	1760	11893	0	0	8149	3705	0	1072	1930	2811	5982	8354	13846	21677	29754	5516	6648	5106	7318	4459	545	2282	3756	4707	4055	469	892	7679	0	3742	3963	3293	4022	21866	12192	0	40964	80903	155732	906	5830	6374	2198	0	0	4461	3189	2513	0	13729	0	786	3093	952	Lipid	0.06666667	1.4	0.06666667
24	C15 H21 O1 N1	232.16959	232.1698	-0.007154124	232.16959	5701	2923	2958	1316	2414	1385	0	1406	0	2840	9195	2420	0	2298	0	4243	3059	0	0	3867	3573	9740	1621	3153	0	16756	2386	11771	1296	0	0	1191	0	1301	0	1640	2046	1126	2212	9669	10583	0	0	0	0	9758	19674	0	2073	2302	2924	3032	2651	0	0	0	0	2672	6701	19702	3007	6560	0	0	0	0	1770	2175	15341	4439	9204	1782	1261	0	1215	1609	0	1715	0	21492	1074	10443	12354	8452	2118	0	1050	0	0	5755	7933	10989	3114	27497	14771	0	1700	3914	2037	0	0	1435	965	13896	11868	2758	0	0	1071	0	Lipid	0.06666667	1.4	0.06666667
2	C15 H21 O1 N1	232.16959	232.16997	-0.10906952	232.16957	27064	29892	24751	25454	1001	0	24169	80240	1676	29220	16750	24909	808	1657	25903	97625	41945	3356	6010	48557	32874	15747	18462	73116	29034	6775	37427	14187	58472	58766	50312	61588	36063	49305	27663	72881	44056	20638	39739	29108	10808	7900	615	649	452	12136	12010	566	78135	79229	25123	24193	3727	692	1789	787	3721	51165	688	661	75531	11757	598	2290	4265	2670	9083	46004	5664	6915	6266	51058	53524	77413	63692	52419	470	32664	18283	9633	19441	2130	3068	21807	759	2890	13597	7669	11608	37907	26018	5040	69302	12147	36079	1021	27226	28206	1249	703	697	44846	19477	37187	5461	44223	797	646	19923	1379	Lipid	0.06666667	1.4	0.06666667
10	C15 H21 O1 N1	232.16959	232.16989	0.027124807	232.1696	5454	3516	3916	3787	7646	9035	0	2857	1382	12329	7994	1335	2453	6015	2409	2581	1112	3843	6342	7821	12140	1824	1476	4655	1525	11550	1654	17768	2686	1958	0	2412	3637	3544	7624	1824	2886	1021	1176	2225	0	9203	946	902	780	2909	6161	943	2305	1218	2933	4811	8305	977	0	0	2755	4195	0	0	0	0	986	1110	5789	9843	25518	4698	8695	11253	15518	2321	2115	2798	3426	2481	967	1539	0	0	992	975	0	3971	1817	2356	1550	19565	10782	9420	8643	0	9384	3579	9095	1061	4055	4167	2077	791	3709	2260	1164	0	0	3373	2479	812	842	1506	Lipid	0.06666667	1.4	0.06666667
2	C12 H25 O3 N1	232.19072	232.19106	-0.11138019	232.19069	3226	3398	3814	2963	2549	0	1480	7615	1382	12083	7275	0	4957	19099	723	11388	1904	3012	4759	907	606	860	0	0	1770	0	1849	25567	3180	6332	4859	3377	3498	3450	5905	3209	4001	841	1930	423	0	0	11987	0	561	0	0	0	6946	6915	3375	2752	6503	0	1142	906	1077	3244	0	0	5088	0	2347	810	0	3853	3933	3430	0	792	0	8732	2723	3624	3586	2986	0	898	631	63926	0	0	0	6069	585	1300	3234	1725	2546	3876	16070	1304	0	9966	14569	0	3637	4353	1059	836	862	2392	320	631	0	796	1074	0	579	2100	Lipid	0.25	2.0833333	0.083333336
18	C12 H25 O3 N1	232.19072	232.191	0.032594375	232.19073	4848	5008	4845	5481	0	2899	0	0	0	0	0	0	0	1753	0	0	1685	0	0	0	0	0	0	0	9056	2372	0	5212	0	1611	0	0	0	0	0	0	0	0	2055	0	0	23597	0	0	0	0	0	636	4695	1833	5927	6235	0	0	4532	0	4813	0	0	0	0	0	0	0	264329	0	7318	2752	0	0	0	1293	0	0	9824	0	0	0	0	51031	0	55312	0	0	2183	2016695	0	0	2574	0	0	0	0	6055	3149	0	7369	8573	8777	0	1889	2383	0	0	0	0	3163	348	115950	1984	Lipid	0.25	2.0833333	0.083333336
10	C12 H25 O3 N1	232.19072	232.19087	-0.041632045	232.1907	0	1744	931	0	1201	0	4440	3474	0	0	0	1027	0	0	4955	1423	0	0	0	0	0	0	0	2735	998	0	5049	5623	1451	5563	18816	1852	1663	2412	2069	1616	0	4982	0	0	0	0	0	0	0	3609	0	0	5522	2500	1360	1415	0	0	0	0	0	2607	0	0	0	0	0	0	0	0	0	0	0	0	0	3193	9196	6515	0	8409	0	0	0	22174	844	0	0	4200	0	0	1093	0	0	0	6131	2027	0	1379	2105	0	0	1482	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	2.0833333	0.083333336
12	C12 H25 O3 N1	232.19072	232.19096	-0.001904073	232.19072	0	2804	0	1811	0	0	0	0	0	3505	11700	0	0	1719	0	0	0	0	0	0	0	0	0	0	1399	0	0	93359	0	0	0	0	0	0	0	0	0	0	1705	0	0	2184	0	0	0	0	0	0	0	0	1449	0	0	0	0	0	911	0	0	0	0	0	0	0	317795	0	1274	0	0	0	1306	0	0	0	0	0	0	0	0	365420	0	1704	0	1016	0	142719	0	0	0	0	18481	0	0	9333	2585	0	0	0	0	0	0	0	0	0	0	0	0	0	12955	0	Lipid	0.25	2.0833333	0.083333336
8	C12 H25 O3 N1	232.19072	232.19098	-0.07200357	232.1907	21004	20228	0	18574	0	1507	0	19844	0	2734	10843	4027	1203	4198	4841	10006	0	1091	1345	1615	0	0	0	0	3749	0	87079	63831	77204	170275	37207	44030	111818	39779	3208	73380	87514	4266	0	0	0	2575	0	0	0	0	0	0	26797	27066	19793	20395	911	0	2168	0	691	9386	0	0	8596	0	0	0	0	0	3895	0	0	0	0	52148	265823	151106	49231	245242	0	10019	0	148300	0	0	594	1066	0	6825	1307	2118	2193	1745	160151	40878	0	12194	0	0	20937	19281	0	0	0	74985	5017	0	0	8030	0	0	4794	0	Lipid	0.25	2.0833333	0.083333336
14	C12 H25 O3 N1	232.19072	232.19092	0.10601084	232.19075	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2624	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1509	1787	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33405	4697	0	28490	7278	0	1672	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	2.0833333	0.083333336
4	C11 H25 O2 N3	232.20195	232.20229	-0.029521825	232.20195	1726	1825	2462	1811	0	290	31091	0	0	0	6906	9196	0	0	9790	2253	37065	0	0	0	0	0	0	0	20922	0	55320	6609	1326	1013	831	764	691	1017	0	1927	874	23307	43407	0	0	1747	0	0	0	0	0	0	0	0	1747	1499	0	0	0	0	11752	389	0	0	1261	0	0	0	14190	323	241	21044	1525	0	0	658	3162	5411	36518	1059	0	13701	0	0	0	0	0	0	0	17051	0	1395	514	0	0	0	0	0	0	0	2001	2177	664	0	0	1675	12174	0	0	0	0	0	18704	0	Peptide	0.18181819	2.2727273	0.27272728
2	C11 H25 O2 N3	232.20195	232.20236	-0.05235046	232.20193	2169	2447	1677	2552	2633	15654	5019	680	0	0	0	0	16137	354	582	3156	7800	2168	899	640	593	0	0	583	1162	0	1522	0	2429	557	1157	1998	0	6577	0	1163	780	621	14336	0	0	0	0	0	0	378	332	0	3197	582	2043	2172	479	0	0	0	342	1685	0	0	1933	0	505	0	0	135952	5345	19784	0	577	565	8980	3468	592	5429	464	0	0	300	0	301	0	0	0	0	576	426	7431	2671	0	0	0	1728	0	0	0	2200	2657	0	0	0	546	438	198	0	1995	0	0	882	0	Peptide	0.18181819	2.2727273	0.27272728
0	C5 H4 O5 N4 S1	232.99751	232.99805	0.5726953	232.99765	0	0	0	0	0	10328	0	0	0	0	0	16633	0	0	0	0	0	0	0	0	0	0	0	0	17559	0	0	0	0	0	0	0	3418	0	0	0	4391	0	0	21859	0	12763	0	0	0	6548	0	0	0	0	0	0	0	0	0	0	17226	10670	0	2154	2790	0	0	0	0	0	0	0	0	0	0	5562	0	0	0	3353	0	0	0	0	0	0	0	0	0	0	10781	0	0	0	0	0	2400	0	0	0	0	0	0	0	0	0	0	2091	0	0	0	0	0	0	Organosulfur	1.0	0.8	0.8
20	C10 H9 O3 S1 Na1	233.02429	233.02454	0.106756575	233.0243	0	2792	1624	1479	3805	4119	2731	0	7380	0	0	882	3269	0	0	0	10194	5364	7158	0	0	0	0	0	0	0	2723	0	0	1385	0	0	2481	0	0	0	3689	0	7726	0	0	16601	0	0	0	0	0	0	1498	0	1595	0	8939	0	0	0	8289	0	0	1495	0	0	4542	0	4227	7538	18793	8701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30108	13216	0	11231	5806	0	0	0	0	0	0	0	0	0	11678	0	5205	4523	0	0	0	0	8216	0	0	18546	Organosulfur	0.3	0.9	0.0
28	C12 H8 O3 S1	233.02669	233.02686	0.0797275	233.0267	1456	1408	2089	1456	3200	1410	1152	0	2077	0	0	0	7227	1391	0	0	3458	4824	7425	0	0	973	0	0	0	0	954	0	0	0	0	0	808	0	0	0	0	0	2904	0	0	0	0	0	0	0	0	0	0	0	1559	1437	4026	0	1908	0	0	1255	0	0	0	0	2265	0	2642	33297	26593	3527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2960	3407	850	2988	2339	1595	1321	844	0	0	0	0	1708	0	1803	2288	3621	0	0	0	0	1327	3782	0	898	2292	Organosulfur	0.25	0.6666667	0.0
20	C12 H8 O5	233.04445	233.0447	-0.03892978	233.04443	13413	15320	7201	13381	28447	18639	9453	7774	24479	8500	6323	9077	32796	20795	14366	12019	5451	31712	32292	6481	4846	16761	13617	18762	9231	5857	8976	4229	8087	8593	9045	7178	11953	6067	5895	6300	13403	9212	10008	4549	8033	14353	5110	5246	4897	6942	5821	6203	10213	6101	11058	15832	20926	3584	24722	20594	13919	16963	4680	3859	11513	5405	36716	28085	10846	35228	17357	13370	7735	4250	8660	5393	5834	5338	5619	9205	4136	6807	20752	8332	17690	8554	4354	0	22615	19367	21148	16415	22453	22563	11763	9484	12974	8438	7378	5632	13528	10379	22420	20178	22615	12349	11733	7160	5097	13792	15903	4483	13312	39934	Phytochemical	0.41666666	0.6666667	0.0
6	C12 H8 O5	233.04445	233.04482	0.014549241	233.04445	9752	11564	5658	10560	19685	9238	5850	6004	24127	4174	7121	5060	27048	12346	5039	5536	4653	21686	22556	5381	8339	10434	9334	5677	4813	3231	4875	4030	4838	6384	4715	5704	11603	3819	8325	4866	7755	5239	7500	3838	5449	11701	2901	2302	4527	4974	5222	4232	4191	4569	8878	8511	15795	3172	20311	22850	12186	8211	5353	4818	8113	4101	30425	17208	8456	22165	9996	7385	5497	4324	4407	4276	6425	4903	4258	7465	3586	4597	7937	2904	9687	8788	4290	1853	22661	11171	8785	11788	14980	7006	0	3551	3293	5840	5312	5058	9991	9651	18408	29283	25423	8493	7898	4776	0	6406	15008	2817	4817	31664	Phytochemical	0.41666666	0.6666667	0.0
18	C12 H8 O5	233.04445	233.04471	-0.029968303	233.04445	29800	30821	22507	24942	45386	35760	22402	17100	42703	17578	11386	17869	61260	48925	29192	29692	18488	71942	63109	10349	11090	27232	34278	25871	21061	7874	20909	10701	22550	23948	22448	22153	29263	21438	15177	17872	33153	24976	19674	7868	8913	28647	5249	3728	6173	11148	9219	6165	27095	16312	25210	25654	39407	4419	42814	27668	30184	42730	6738	5135	31964	5859	57688	36270	31403	60394	33307	26577	5535	9356	8192	20859	15040	12883	12580	20476	4479	20517	47871	18982	38085	14350	9111	3941	44813	32890	53517	41313	43998	36434	16364	13353	34148	10419	15844	7258	27799	21261	34015	37666	37019	26723	24726	8504	5176	26575	21578	4332	24628	62693	Phytochemical	0.41666666	0.6666667	0.0
12	C12 H8 O5	233.04445	233.04475	0.003850102	233.04445	54579	65684	45957	52904	79797	55944	35812	29198	97000	27390	26512	29614	101291	61010	37593	52792	37126	133715	152863	27717	22700	38085	50651	29699	21924	4094	31316	18811	34592	28727	28848	39823	55235	34207	31938	31322	48474	39922	41033	12777	16662	54564	5809	3857	5681	21059	13810	6548	43048	25981	50232	57756	74087	3824	102539	55199	47553	52630	19334	11353	45896	9564	137466	87502	43127	129793	62277	39184	0	12280	14133	26970	27284	27440	40759	40141	3726	28107	46810	23271	43636	19662	8107	6279	81230	50816	65367	62393	81235	49264	24073	25143	40170	24579	27024	7343	49321	48220	63599	72833	75877	56050	36160	13982	0	35631	58098	4042	26966	142554	Phytochemical	0.41666666	0.6666667	0.0
16	C12 H8 O5	233.04445	233.04472	-0.015208805	233.04445	34546	44292	31771	36013	62103	57211	27938	27501	67163	16026	18750	24904	81734	58947	35298	40199	34188	107699	108561	13214	16988	32890	51387	56849	30097	4856	31773	15408	33314	21467	30423	29428	44902	26012	22705	29001	44120	33519	36855	13070	11592	41593	4958	4788	7423	17152	9928	6985	32011	23201	36312	39996	56391	4615	62127	41990	41416	54772	8198	8463	37473	8377	79996	51694	35703	95445	50165	34469	7829	12008	9336	25267	27844	26173	29328	30514	5392	23358	55293	23145	44773	20737	10676	5353	58551	48187	66051	60727	57762	41812	24041	25783	0	20523	18622	7744	39375	39060	46313	46302	59192	45873	24576	13437	7039	36853	33260	5529	35543	101922	Phytochemical	0.41666666	0.6666667	0.0
26	C12 H8 O5	233.04445	233.04465	0.028865881	233.04446	4687	8425	6259	7848	8249	4436	5623	0	8174	3360	2460	6016	10933	6628	0	14073	19132	8427	13017	0	0	4960	4843	5087	0	0	4664	2079	0	0	3515	0	5123	3422	4957	0	6037	5417	20399	2154	3923	0	0	0	0	0	0	0	3407	0	4140	7324	6813	0	8157	6554	6953	8831	0	0	8132	0	10225	6081	3266	11872	2898	20243	0	3431	3449	0	2515	0	35077	5813	0	4578	13387	0	9222	2951	0	0	0	6422	8704	7790	7204	8374	4451	3089	5838	2377	0	0	5884	6526	5312	7022	6576	0	4594	0	0	4014	0	0	7813	8926	Phytochemical	0.41666666	0.6666667	0.0
8	C12 H8 O5	233.04445	233.04478	0.003777391	233.04445	18286	21751	10495	19040	42623	23300	9307	9146	47389	10272	16769	12059	61674	25383	12050	12136	16791	51637	61005	10336	15282	21231	21754	7720	6330	2723	9110	6758	10143	9183	8112	11995	21209	6759	17995	9604	16055	12089	16435	7198	13063	22523	3309	2780	5647	9990	9342	4354	11373	6987	16713	21663	32132	3205	40622	36197	24167	17434	7569	8607	12474	6776	71124	43526	21188	59015	25450	18739	8146	3685	8050	9553	9981	6396	8960	13214	3902	10289	20162	8041	17850	9505	6890	3693	40747	19524	17860	32528	37500	15001	0	7938	14922	15099	10580	5106	17977	17446	42000	53151	42844	18615	16637	8763	0	16394	31459	2616	8849	65752	Phytochemical	0.41666666	0.6666667	0.0
14	C12 H8 O5	233.04445	233.04474	-0.009886498	233.04445	53180	63894	49223	50729	97574	76296	44254	40336	93108	25560	33467	45018	124291	80889	45900	51879	51867	162071	147881	22752	23553	46492	59812	38348	33451	4664	38748	19096	43403	41706	38411	51947	67638	46136	39769	46637	62421	39977	50199	14551	15319	68997	5319	3560	4996	19455	13933	6621	44760	39067	49608	51688	97297	4915	89905	53236	62182	71872	14325	10857	45085	11055	127880	82034	51716	133322	86514	46155	0	13064	12371	35169	40837	36637	38353	47074	3908	37879	71235	30873	53833	18853	14708	9996	81119	61613	81566	79669	100236	56452	30747	21960	49483	26999	25425	8237	54200	59349	57376	75684	81108	61064	44975	19355	0	40325	54928	4560	35974	111385	Phytochemical	0.41666666	0.6666667	0.0
10	C12 H8 O5	233.04445	233.04475	0.004035697	233.04445	35336	33728	27034	31107	77247	36704	14419	15134	71119	18000	19125	19847	101499	40543	22690	23945	20961	105409	106147	14849	19327	29091	34685	22222	13907	3660	16493	15124	17792	15137	14487	19020	32160	13338	26764	18277	30169	24205	22690	14034	13400	32773	6222	3513	6319	13452	12572	6086	21067	14550	29675	33925	51342	4771	78714	53275	32906	28492	9997	11045	25464	9168	95095	71722	33604	94000	40156	27418	10722	6203	7991	15775	15651	11734	18645	17424	4339	17274	36436	14341	31357	14967	8797	3850	76290	41576	44603	44775	50992	23205	12849	14114	25924	21614	20403	7198	29333	36639	55552	71507	75564	31808	21045	9814	0	19878	51386	3995	16326	123399	Phytochemical	0.41666666	0.6666667	0.0
0	C5 H5 O2 N8 Na1	233.0506	233.05101	-0.038707267	233.05058	74417	64872	58891	55760	8880	0	2736	13571	871	9653	2530	12394	11192	0	4870	7958	1839	6875	16797	3944	0	8333	2390	81186	1907	819	0	0	1333	55506	5307	46373	594	34221	2020	43470	26506	2178	2295	2198	1090	40983	0	0	0	6498	2362	0	62197	70035	51458	55888	2464	0	0	0	2789	15322	0	1072	58731	728	0	2320	0	41931	2452	3954	0	0	0	54671	44062	52593	4029	34195	0	2536	1432	0	1014	594	0	0	0	0	1784	41950	10051	2614	5336	3255	25076	0	0	350	62656	55300	0	1532	5642	55500	4193	15956	0	8910	826	332	2216	9779	Unclassified	0.4	1.0	1.6
6	C11 H8 O4 N2	233.05568	233.05605	0.015175526	233.05568	7241	8551	7639	9831	11917	9823	4850	9030	12847	2791	3299	6603	11801	7069	6999	13316	10207	19471	24341	1749	1102	9404	9200	12310	4344	0	3870	0	7138	6247	7176	7473	15221	7492	2865	4465	14819	8025	12712	1585	1564	12509	0	430	481	1775	1605	329	9254	5325	6424	10440	13169	433	11760	6285	7458	13831	3002	1604	13534	0	18610	9500	7210	17287	14164	13479	0	0	0	5697	4811	2298	3550	4161	303	4461	7666	0	6822	1420	820	0	10109	7124	8570	22786	18516	23610	0	2373	24108	2768	1474	380	9032	7943	6771	8710	8762	12183	6700	2598	0	19880	5710	363	6633	23121	Unclassified	0.36363637	0.72727275	0.18181819
8	C11 H8 O4 N2	233.05568	233.05602	-0.042378925	233.05568	27959	41403	24755	35902	19217	16979	26084	42064	14184	6537	5257	35100	16661	8419	26200	80829	54340	26021	40964	6660	5568	41411	37735	52272	12699	0	22994	2951	33501	28560	42526	63959	60590	50919	12165	37395	59911	29954	96509	3399	2877	33323	561	366	450	7650	2361	519	58719	37007	36216	37653	23767	500	18895	6228	16979	71383	2750	3791	74490	1891	18855	19750	11443	25460	34782	84974	0	2067	4211	43496	46547	21587	42842	48323	265	23421	36422	6844	31141	2550	2253	0	13757	11405	39681	49269	45267	155054	0	6748	95635	3620	4287	521	32747	30394	9928	11417	7288	54153	31397	3633	0	86706	8335	311	24128	33967	Unclassified	0.36363637	0.72727275	0.18181819
16	C11 H8 O4 N2	233.05568	233.05594	0.044687606	233.0557	3794	2207	1862	4371	3598	5033	4193	2788	3774	0	1261	2760	2933	0	3107	6281	7290	6334	5245	0	0	4172	4462	6169	1441	0	3058	0	1887	4177	3971	0	5065	3982	1918	1638	5954	5121	6166	0	0	4269	592	436	726	0	0	1000	3203	3461	3557	2991	4056	611	0	0	2951	6288	0	0	0	0	2214	1406	2855	5550	3861	5622	0	0	0	1782	2291	1995	2719	2306	371	2276	9227	0	4205	0	0	0	3450	1484	10713	10126	6209	46681	0	0	0	1231	0	651	3097	1884	2013	2403	1855	3414	2661	0	0	0	1209	700	6464	5717	Unclassified	0.36363637	0.72727275	0.18181819
12	C11 H8 O4 N2	233.05568	233.05598	1.00232E-4	233.05568	17203	18313	20955	21599	13322	12547	30628	22777	13993	5601	4517	20867	8281	9990	14016	46843	27520	20793	29819	2290	4423	27752	23853	39839	14877	0	15936	0	19292	16052	21022	21191	30533	24389	6655	23617	35795	20240	45187	0	0	32776	438	636	491	9858	0	788	28902	15063	18569	16612	20191	989	13885	3544	13130	50694	0	0	35791	0	15632	14659	12793	20505	21803	39878	0	2900	2544	23343	21612	10842	34165	22254	528	18075	25111	0	29799	3423	1295	1047	10147	11436	39519	33968	22630	82909	12776	9735	64848	4921	2353	1034	23621	22644	7814	8031	7532	36496	17748	3751	0	52679	7376	575	33636	21676	Unclassified	0.36363637	0.72727275	0.18181819
14	C11 H8 O4 N2	233.05568	233.05595	0.034253076	233.0557	3904	8158	3678	8459	9159	5479	6955	7532	3771	0	0	6311	3048	4565	7567	8968	17440	8052	8626	0	1411	8090	6306	9376	8341	0	6469	0	6131	3489	7928	7849	10708	6569	2528	5313	10027	7378	18071	1602	0	11482	0	599	466	1682	0	703	7157	5770	4494	6262	6772	631	3504	1875	5257	8909	0	0	0	0	5988	6373	4751	8930	8245	16524	0	0	0	5989	5361	2710	7316	2861	353	4752	13361	0	7612	1477	2225	0	6469	4778	12074	13158	9194	37172	0	2846	19076	0	2119	855	4232	4814	3074	3236	2899	9271	6163	2715	0	14030	2896	659	12020	10105	Unclassified	0.36363637	0.72727275	0.18181819
10	C11 H8 O4 N2	233.05568	233.05598	0.017735625	233.0557	20887	19089	14997	20499	18542	13676	23393	23769	18511	4976	7294	26826	15188	12098	18733	36556	38617	23563	27419	5700	4142	20263	22685	31579	19887	0	26163	8127	22372	21459	25087	26808	35521	22716	6116	20355	34728	22045	49504	2053	2586	22105	1002	462	655	7963	1634	745	32799	20219	21954	18670	18058	677	17856	7124	13738	38096	3067	5021	32155	0	20720	20314	14943	26600	18988	55566	0	3785	1423	20711	15366	11710	24185	21139	0	18768	29684	6882	24476	2540	2177	1205	17366	12510	36550	34186	24221	79529	6844	5988	49408	4778	2179	513	18221	16596	10923	10474	9482	29022	20723	3606	0	38782	10119	539	28409	24490	Unclassified	0.36363637	0.72727275	0.18181819
6	C9 H12 O7	233.06558	233.06593	0.055808738	233.0656	1916	1809	1708	3037	8310	5382	1463	1989	7445	0	0	2025	21850	6313	2245	1081	1110	10653	11266	1166	0	1008	2188	1970	1326	0	0	0	3340	1784	2040	2252	2848	2961	740	2112	2516	1568	2415	0	0	4040	0	0	423	0	0	364	1609	2014	2597	4566	5548	758	8147	7372	2565	1836	0	0	2624	0	18731	4466	1875	12728	10904	1727	0	0	0	3400	3348	3415	1636	1646	342	2220	1233	0	1027	739	0	0	4729	3913	1277	4296	5693	0	0	2404	2340	0	0	407	2872	3461	3013	5878	5865	3536	1534	0	0	2370	4659	424	0	17251	Unclassified	0.7777778	1.3333334	0.0
2	C9 H12 O7	233.06558	233.06596	-0.014462488	233.06558	4082	4270	4019	4147	6013	17369	1127	12517	2896	405	0	2362	10661	3936	1419	639	1837	9871	7346	0	543	2091	1962	5379	738	0	0	0	16743	4874	8132	10383	11667	27705	810	9341	9741	1301	1390	289	0	4483	0	0	0	1506	0	0	12727	3827	3783	4274	5421	0	2912	3353	899	8254	468	0	3984	0	6445	2862	0	9686	6923	1850	0	416	0	32449	26062	9789	309	8739	0	2964	751	0	949	0	411	0	3290	1335	924	11188	7772	0	2219	714	1322	0	0	0	3608	4065	1139	2369	3560	6993	2268	523	243	6798	1145	0	1055	7841	Unclassified	0.7777778	1.3333334	0.0
6	C11 H13 O4 Na1	233.07843	233.07874	0.18463144	233.07848	0	0	0	0	920	0	0	0	497	0	974	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1005	0	0	0	0	678	0	907	0	0	0	0	0	0	930	566	0	537	428	0	0	574	0	0	653	0	869	0	0	0	509	0	0	598	0	0	0	0	0	0	650	0	0	0	0	0	0	0	33963	0	320	0	0	0	0	561	712	0	0	0	0	547	756	0	0	0	0	569	0	494	0	0	619	963	0	0	0	0	0	0	1206	619	0	0	Phytochemical	0.36363637	1.1818181	0.0
8	C11 H13 O4 Na1	233.07843	233.0787	0.37151128	233.07852	1462	904	0	0	1503	1151	2601	0	0	0	0	0	0	7160	0	0	0	1121	0	0	0	0	0	0	698	650	2556	0	0	718	0	1633	0	1034	0	0	1544	794	0	0	0	1471	683	438	0	0	0	669	1226	0	781	0	2788	517	0	0	954	0	0	0	0	0	2121	689	2576	0	5145	0	0	1073	0	0	872	0	40601	0	471	0	991	0	0	547	2324	7001	0	0	801	2001	1336	0	0	0	0	0	0	862	0	0	0	0	0	0	0	0	0	0	0	666	0	1051	Phytochemical	0.36363637	1.1818181	0.0
10	C11 H13 O4 Na1	233.07843	233.07861	0.2751268	233.07849	295095	287679	228383	251970	367656	232423	190166	220035	380691	322495	231934	186759	415163	199291	195230	258178	232292	505838	515777	359806	377473	298466	233875	225266	154406	201992	196381	190063	220165	211618	189374	239209	348858	187362	426763	219735	306631	191820	279203	279690	328873	237065	48977	37100	48816	206173	194544	52380	243272	172491	287697	292784	299947	36004	475319	322883	194783	316110	189787	213624	264532	177715	376788	393670	173862	392122	239534	258852	250262	271712	303295	179485	197644	179465	239476	226485	41601	158629	269803	171061	245220	212648	180742	168766	384846	244225	290222	254580	276429	245075	221898	218508	242049	232653	281695	53935	271226	287858	342267	384737	396483	276411	208780	233951	154503	202084	317555	41469	163521	456054	Phytochemical	0.36363637	1.1818181	0.0
16	C12 H9 N4 Na1	233.07977	233.07991	0.21276034	233.07982	324023	380039	311667	325819	502481	398010	270942	292228	460473	314095	230459	253151	623754	379068	313487	368551	325026	801378	765467	375632	319033	346097	333953	306193	282285	155173	247147	212371	321542	293239	307287	354914	471272	295185	421737	328260	478053	269365	337104	283917	230977	350034	58349	45147	55508	223526	184311	63528	385617	266620	358453	363680	450352	43781	468280	349052	291083	458463	213075	165131	358059	162823	537992	417604	230122	666754	458381	294903	149166	257061	197184	281683	299839	275490	252551	357745	44924	236461	339780	276764	246729	218556	194957	183643	422608	302061	400267	377657	449579	377865	309969	329594	414797	216346	301016	69039	338447	347557	380155	391112	430962	453997	268594	253149	129693	328286	354182	49512	269402	615028	Unclassified	0.0	0.75	0.33333334
20	C13 H12 O4	233.08084	233.08109	-0.05423049	233.08083	129045	154097	124756	111369	190505	155395	99329	125183	167844	112098	80937	105335	229593	168181	132118	129394	109152	245906	244014	117758	106292	118068	128917	132883	114390	77086	92473	82794	147882	126998	114069	136392	185456	123786	126429	114167	184164	104845	116135	100394	90767	141312	40768	34159	38634	95612	89365	45619	117937	92361	125869	143067	172202	29322	175564	163478	121220	167188	81241	63823	144778	62290	196042	151445	90269	224764	149799	124249	78031	103954	92689	114758	109699	111643	95493	123883	36639	101122	149377	87704	124271	80365	83253	67390	164013	125660	154649	145554	161834	133696	138531	105018	166901	73526	81769	43647	133314	141993	149303	172187	186548	162415	119894	107653	67629	120787	127648	38409	109275	240870	Phytochemical	0.30769232	0.9230769	0.0
16	C12 H12 O3 N2	233.09207	233.09235	-0.024907956	233.09206	57121	46719	65145	60474	14504	49571	44760	114868	7197	13327	15044	53750	5172	25719	67390	137606	28417	37900	65741	6117	11957	41955	55954	95636	106838	2908	41536	11636	195076	149089	204587	257612	177028	228997	15095	180185	170639	48289	43202	9752	16915	52562	1736	2702	2326	18782	9111	2974	245423	126290	58878	66517	44004	3076	8058	3788	13861	172636	7136	10806	169801	9201	11327	14460	17508	25598	79296	43156	3933	18624	7771	183606	243849	181473	38354	158296	1465	74501	38619	21358	25952	10490	7206	9152	8535	14681	50017	58274	77609	97324	27458	16529	123447	14399	13646	2693	67794	52688	5854	4680	4571	131756	54966	10896	4518	160120	6019	2772	60766	12687	Peptide	0.25	1.0	0.16666667
8	C12 H12 O3 N2	233.09207	233.09239	-0.07142949	233.09206	54252	63663	39723	54039	35051	30485	42223	51245	28054	54880	45814	36476	32517	26699	41360	81599	77772	53658	63616	48106	59454	65286	48509	84280	50022	26734	47754	45359	45098	37353	46462	58804	73216	46315	67264	40118	75812	43229	86821	59406	85881	43078	2300	1509	1513	41175	43736	1718	61984	41053	47299	58382	44085	2148	34998	18094	27769	60443	22224	39402	73081	31005	35696	32998	27792	39847	41389	88232	26649	40509	42672	40608	38284	27539	44159	43086	1325	32965	74468	51886	51437	27941	30089	34708	32204	24625	74799	59571	55910	155375	40388	45933	126315	39545	52984	2087	57077	53297	23996	23284	27612	66493	37293	38626	11379	72338	23301	1790	58899	45570	Peptide	0.25	1.0	0.16666667
12	C12 H12 O3 N2	233.09207	233.09238	-0.04951589	233.09206	44311	50937	44513	48475	26442	28392	46729	53035	20170	36769	32183	31051	17484	16721	32629	82509	84818	61875	86040	27544	35714	73416	39908	63505	38800	18964	42141	23679	42810	43472	44169	49216	73477	58419	36656	44352	74483	37899	108920	37043	56065	44401	2287	2742	1981	30110	21920	3316	69964	37728	47798	50259	32856	2390	22453	11668	22317	92504	23817	25078	70393	24229	23791	22385	18435	25535	37992	108797	17901	23325	34109	41862	40208	33307	65878	49285	1301	34078	53195	37475	45089	25423	27792	23754	20633	19656	88299	60322	53399	153542	50369	51851	108587	34891	34032	2455	45658	42453	19956	17356	14447	56139	34626	29840	0	81261	20613	2516	63862	38289	Peptide	0.25	1.0	0.16666667
10	C12 H12 O3 N2	233.09207	233.09236	-0.07471277	233.09206	98549	97831	83422	88008	63580	93690	91390	80738	54673	56173	50384	72512	45482	74414	79180	157583	167200	109621	150192	51080	64878	89248	98149	189091	114912	27919	103329	91805	79422	60872	72813	95857	199438	82902	64096	63575	177911	81577	188691	54320	86355	110922	3188	1992	2174	55682	39453	2066	107179	62540	92543	98866	92862	2766	61338	25591	37514	158953	31608	48858	146343	34157	56466	62364	61457	74487	107806	201832	29412	39192	48062	67383	55444	35621	96743	66641	2040	57689	177215	83617	130856	37116	31363	31370	60242	55084	179109	173588	147710	289859	71176	43039	217595	48188	65654	4219	96704	92508	36246	36699	41973	163675	64922	39502	18013	139063	32307	2193	126620	75457	Peptide	0.25	1.0	0.16666667
2	C12 H12 O3 N2	233.09207	233.09245	-0.0545621	233.09206	27669	31038	25006	29360	36475	26233	20733	32426	27384	44668	52036	23737	30956	21578	23613	23389	44441	39348	38023	40547	58678	37219	24502	30973	18418	13648	12984	35973	31651	19581	27954	25789	41647	31979	53569	25664	34188	20161	50536	32553	37754	31141	1182	1242	1314	21464	26895	1921	30447	20873	26569	30741	30994	1347	31955	16421	17413	37229	6106	17813	22203	14988	40057	28586	17784	34788	29433	58604	18655	23775	28586	24775	23554	16299	25531	24706	963	18291	29936	22340	24043	14895	10371	14703	21983	19784	33098	41096	34774	65562	27678	47437	62371	22853	19256	2641	28380	33284	24054	20089	22070	29581	20688	21084	14457	39112	19431	1467	27377	40496	Peptide	0.25	1.0	0.16666667
18	C12 H12 O3 N2	233.09207	233.09232	-0.05883315	233.09206	13914	9001	11412	8614	10086	8690	19738	10367	0	4682	3478	8053	3665	9911	7220	19418	28133	10266	9210	1953	0	9706	9862	21238	13435	1373	18556	9341	7272	8114	12812	11731	16161	12845	2608	6156	16659	7359	35117	3235	6318	5793	1575	2303	2120	2854	1873	2343	12029	7188	10248	13542	9749	1943	3521	2655	7721	19341	2106	5009	16685	930	5570	4314	7989	6713	9038	35803	2876	2161	3907	10818	5996	1809	18510	7009	1604	5290	18902	72204	17678	5448	5786	1869	5285	9147	25326	16097	11145	53906	123576	9745	27872	6522	3682	2668	11883	8092	9172	3492	6113	17037	9592	5329	1754	23452	3599	1940	19304	7517	Peptide	0.25	1.0	0.16666667
4	C12 H12 O3 N2	233.09207	233.09244	-0.07845212	233.09206	47130	48521	43429	43695	55762	43143	31163	37980	41340	69585	54195	28938	42438	32039	33069	62362	62906	62004	61606	56686	80482	61525	37365	59273	35734	24161	31052	54321	31170	26051	32799	31616	58585	26551	76616	31185	57014	27813	75457	50171	69932	42184	1938	1638	1732	47430	52843	2248	40229	31191	45872	35616	50679	3015	43486	31544	26916	55408	12861	32889	57488	33497	51274	38004	24047	44643	35111	68979	28082	37569	49675	29833	24241	22193	36663	27483	994	25912	54176	36260	45304	30198	19129	30144	46647	39025	56191	52290	42989	84291	33810	31732	107633	38626	50531	3672	38866	49268	35266	41357	42428	55484	26381	35337	30712	52225	35079	1619	41024	49489	Peptide	0.25	1.0	0.16666667
14	C12 H12 O3 N2	233.09207	233.09235	-0.043917768	233.09206	71019	119006	73678	59915	31558	41711	71033	108987	20678	29440	27140	58314	16843	24713	52262	193391	91167	55524	69584	26635	27101	105049	58405	174574	78865	13906	53343	35722	111809	71330	134643	209261	180697	144792	34343	111236	149515	47938	132435	30625	55841	54796	3150	2229	1864	42729	28620	3116	167022	79293	79406	69787	45504	2424	17777	7646	26812	268723	10828	34177	154712	16020	20237	26088	18332	41318	52893	139730	0	25877	25674	140210	110140	86873	124290	170941	1529	67012	83142	35897	62581	20081	24062	24331	17678	19156	105441	80984	100110	310332	84447	49474	224538	34637	34680	3160	81274	70826	16160	13778	15535	111386	67407	36775	0	207476	12621	2317	89855	23708	Peptide	0.25	1.0	0.16666667
2	C9 H16 O3 N2 S1	233.09544	233.09581	-0.035021503	233.09543	1333	1938	1479	968	1251	0	576	735	510	387	0	564	1500	568	425	1431	861	1661	1736	0	485	867	631	1465	618	0	0	0	1126	503	1235	876	2233	942	1062	977	2835	282	1790	331	0	0	0	0	0	362	388	394	974	635	1007	1162	1032	0	1901	424	0	1906	570	480	1830	0	991	661	0	708	0	1403	0	0	0	1171	1532	1972	412	525	0	398	376	0	350	0	422	0	360	369	406	1587	737	1913	39875	14396	1644	674	0	0	1272	821	792	380	510	1674	449	1292	390	2440	658	0	387	2093	Peptide	0.33333334	1.7777778	0.22222222
6	C10 H16 O6	233.10196	233.10233	-0.02231065	233.10196	6446	5429	5724	8097	6376	4672	8672	5761	9530	2797	18288	4309	13002	7435	5419	5932	8858	13390	10284	2713	3680	2951	5925	4078	3226	3125	6520	32602	9226	8650	7121	6730	8829	8172	1887	7723	6939	4877	9110	0	1446	7495	10210	1726	2337	2575	8146	2021	7130	6819	6967	7405	5866	3694	8893	11497	4720	5562	2262	3392	5780	0	8782	6647	6348	10102	8439	8119	5630	0	9165	5556	7537	12246	2727	6004	2215	4781	3534	60701	3175	2498	8389	4826	7701	108161	8591	6091	6887	6048	3661	4592	2745	28622	3193	2330	7551	6462	5324	9474	13531	7851	4863	3207	0	4516	8804	2187	4014	10795	Lipid	0.6	1.6	0.0
8	C10 H16 O6	233.10196	233.10231	-0.04209946	233.10196	7849	4863	8076	6861	13565	12510	5831	6840	11918	3618	9896	3864	20325	10286	7999	5873	7404	20041	13317	2404	2135	2182	6050	5674	5443	1049	6506	28911	9191	7022	6552	9803	8876	8907	4763	8572	9239	5727	5643	0	2429	9900	14964	2157	2860	2047	4033	2458	5628	7205	10277	8272	10516	3776	16070	11238	8921	7043	5360	2184	6467	2151	14959	9201	20813	16775	12195	6844	5165	1354	3336	5713	8812	10591	2407	7307	1897	4806	5084	36915	4954	3103	6937	3406	10421	156716	7011	5364	10400	4379	0	0	6778	15569	3421	3021	7894	11854	9066	11174	15295	8875	4646	2592	0	5723	13244	2722	5650	16369	Lipid	0.6	1.6	0.0
18	C11 H12 O2 N4	233.1033	233.10352	0.031001072	233.1033	3504	1911	2408	3507	2657	6561	0	6608	1165	0	0	0	1398	2665	4977	7028	2627	0	0	0	0	2037	4553	8228	4877	0	2995	0	0	6421	22552	7195	0	7676	0	5744	0	6603	1953	0	0	4303	0	0	0	0	0	0	1571	3773	2839	2776	2100	0	0	0	3896	6370	0	0	6662	0	0	0	4989	0	3293	3587	0	0	0	4427	3667	4234	1488	0	0	2360	6132	0	5845	0	0	0	0	1211	10402	5870	2427	22708	0	0	8314	0	0	0	3797	3743	3377	0	0	5192	3065	0	0	7969	0	0	4977	0	Peptide	0.18181819	1.0909091	0.36363637
6	C9 H16 O5 N2	233.1132	233.11351	-0.004869646	233.11319	2429	1534	1735	1914	891	2106	1050	1301	2140	0	2438	551	0	839	1588	1502	2749	1760	1467	0	0	1061	1001	1623	1328	0	1001	10764	1533	1223	1739	1058	2705	1710	707	1053	1266	2730	2029	0	0	1488	0	0	0	0	0	0	1230	1357	3368	2685	2080	0	2004	812	1718	3136	0	724	2056	0	1313	1204	993	3131	1514	2078	0	0	0	1872	802	1110	785	1196	0	0	1165	18566	1208	624	482	0	1081	2050	1998	1705	1676	4460	52558	17591	2423	3297	0	0	1687	2094	976	1046	648	1907	1080	0	0	2087	773	0	1343	2071	Peptide	0.5555556	1.7777778	0.22222222
10	C9 H16 O5 N2	233.1132	233.1136	0.23282374	233.11325	1439	0	1016	0	0	0	0	0	0	0	3560	903	0	0	916	0	3251	0	0	0	0	0	915	0	0	0	0	90696	0	0	0	0	0	0	0	0	0	0	1634	0	0	1232	0	0	0	0	0	0	0	0	1627	1409	849	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37862	0	0	0	0	971	570	0	0	0	0	19186	10093	0	3768	0	0	0	0	0	0	0	0	0	0	0	0	921	0	0	0	Peptide	0.5555556	1.7777778	0.22222222
14	C12 H17 O3 Na1	233.11482	233.11496	0.32943642	233.1149	0	0	0	0	0	1468	4610	0	0	0	0	0	0	7122	0	0	0	0	0	0	0	0	0	0	0	0	7394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	950	0	0	0	0	0	0	0	7868	0	2667	0	0	0	0	0	0	0	3914	0	0	0	0	0	0	1150	0	22219	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3648	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.4166666	0.0
14	C11 H20 O3 S1	233.12059	233.1208	-0.15266106	233.12056	0	3939	0	2225	1222	1942	3309	0	0	0	0	0	0	2128	1453	9818	3625	2798	1769	0	0	0	1882	2574	5517	0	3830	0	3663	0	2001	0	1400	3583	0	1717	1499	2779	5699	0	0	3822	0	0	0	0	0	0	9354	0	1922	0	1892	0	0	0	831	24581	0	0	0	0	1873	0	1824	7721	12620	7964	0	0	0	0	1559	1535	4460	1533	0	0	0	0	0	0	0	0	0	0	1980	2479	1967	0	0	0	0	0	1450	0	0	0	906	0	0	0	0	0	0	15766	1250	0	4291	0	Organosulfur	0.27272728	1.8181819	0.0
8	C11 H20 O3 S1	233.12059	233.12062	-0.8813761	233.12039	0	0	0	1359	0	0	0	0	0	0	0	0	0	0	0	3423	0	0	0	0	2453	1227	0	0	0	0	0	0	0	0	0	3956	0	1503	7342	0	0	0	0	0	0	0	0	0	0	0	0	0	1322	0	0	0	0	452	0	0	0	0	0	0	0	0	0	6344	0	0	0	0	0	0	0	0	4813	5494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1448	0	0	0	0	0	0	0	0	0	0	0	0	0	27334	0	0	0	0	2469	0	Organosulfur	0.27272728	1.8181819	0.0
12	C13 H16 O2 N2	233.12845	233.12875	-0.1142765	233.12843	56137	50672	62124	61219	64991	30347	43093	43565	38081	54996	39065	28649	52873	18684	27832	72484	67490	91938	121398	62492	62819	73078	30150	59030	32019	51213	42965	34534	41358	47696	40604	56518	62344	51313	52288	48719	69407	28623	78325	62030	98114	29601	1088	624	598	42734	66045	583	65343	53661	56355	56700	42755	679	55273	33691	18567	73086	17381	39255	51441	29991	73306	33666	20686	45816	23046	72470	33652	55364	73162	46069	42991	50411	68729	51016	326	29947	34518	42386	38019	31302	41517	43071	74425	21228	39722	39326	36667	120306	67369	44821	92074	48852	84592	437	54295	63279	40451	38371	32258	63622	29249	45474	0	56589	40162	0	44164	104782	Peptide	0.15384616	1.2307693	0.15384616
6	C13 H16 O2 N2	233.12845	233.12878	-0.109791875	233.12843	108617	113964	100641	100744	42629	51213	90306	122137	26825	151684	105419	64759	22356	33354	69417	196913	174216	49940	85126	147828	154049	91304	73376	159451	106089	63664	100419	117599	129046	101258	124149	171205	191744	164452	174467	112561	184947	77045	194541	73660	78854	78921	0	541	361	74010	64642	465	189900	97446	111621	106550	64448	433	27552	12265	31915	183104	10651	29115	190141	41324	22650	19602	27882	32615	84526	280142	39936	84426	103651	108146	109253	70338	174131	118870	282	61019	79486	64965	66849	23499	21135	67526	19896	30680	108303	104726	103655	265575	100453	39693	198601	63163	107624	913	106150	91583	19315	14358	14592	196635	67023	61745	31384	136308	20080	624	91446	29093	Peptide	0.15384616	1.2307693	0.15384616
18	C13 H16 O2 N2	233.12845	233.12866	-0.09407869	233.12843	5358	3516	3199	5259	2025	1738	4908	4220	2239	0	2039	11472	0	1505	5230	12152	10169	0	2534	1843	2828	4503	8710	3909	5041	1798	5809	3383	0	4218	4465	3512	4663	6857	3369	0	4223	4512	11864	4298	3661	2477	495	421	553	3260	0	509	4733	5681	4333	2481	2074	457	2036	0	2546	7222	3019	5958	8260	2661	0	2077	983	2243	2810	11616	0	2407	4836	5687	4101	2127	7049	0	337	5711	5971	6047	4656	1693	1884	1309	1357	3448	5540	7237	3646	21667	5880	7636	11811	4950	2689	757	3769	3877	1605	0	1475	5456	4985	4874	0	5183	2254	415	6873	0	Peptide	0.15384616	1.2307693	0.15384616
14	C13 H16 O2 N2	233.12845	233.12872	-0.12068479	233.12843	28400	30313	25907	31804	15017	13115	25687	28706	4136	29675	33841	25830	5715	8212	15331	42087	43216	11086	14309	31798	31493	47862	18614	40055	22982	27738	26896	18186	19993	25273	24075	36995	30600	34216	23334	29249	33876	16195	55319	40476	84221	13000	0	496	430	25360	38452	747	32211	24422	28234	30309	14627	248	7424	4237	8644	44806	11678	35869	28888	17795	6945	4600	6322	11199	13271	50415	23300	31043	56650	27864	23599	18452	32878	28681	281	17377	23747	27755	21621	22803	27831	30344	4876	8984	26764	23129	18110	108232	43638	37133	90133	34213	42474	549	33385	25820	5527	3834	4994	33681	23511	34251	0	47103	8637	568	29916	9560	Peptide	0.15384616	1.2307693	0.15384616
16	C13 H16 O2 N2	233.12845	233.1287	-0.073184505	233.12843	7327	7874	8037	12528	4153	2397	8375	11288	2151	7409	10560	6842	0	4926	5574	16963	18178	3004	1868	8457	9221	15167	6708	13112	6569	10877	10160	10189	10161	10225	7069	10019	10569	10057	9702	7111	17651	6683	20422	11255	19789	3445	509	851	392	5264	8213	614	9813	8103	8934	10324	6194	491	0	1292	3157	13628	5487	13617	9530	7132	0	2032	2469	1641	6397	22244	6808	10249	15288	9048	6158	7134	10434	10209	340	6149	7936	11889	8347	4366	7739	10667	1727	3200	8662	8666	7418	28312	14175	10961	0	10058	10590	777	4744	6795	2315	1923	1540	12602	6490	8359	0	0	2207	481	14031	3468	Peptide	0.15384616	1.2307693	0.15384616
16	C11 H20 O5	233.13835	233.13849	0.08629976	233.13837	0	0	2407	1923	0	2345	2151	0	0	0	2174	0	0	1561	0	0	0	0	0	0	0	0	0	0	0	0	1462	582276	0	0	0	0	0	0	0	0	0	0	0	0	0	1803	6262	1909	1874	0	0	2271	2253	2403	2803	2186	0	15293	0	0	1276	0	0	1939	0	0	0	0	1692	0	1328	0	0	0	0	0	1256	0	0	0	1745	0	0	26451	0	1412	8947	2887	0	1219	0	0	1201	0	5332	4972	0	1717	0	2468	0	1573	1195	0	0	0	0	0	0	0	0	2922	0	0	Lipid	0.45454547	1.8181819	0.0
22	C11 H20 O5	233.13835	233.13863	-0.012706359	233.13835	3437	3162	1893	1863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	914777	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	553	0	0	0	0	0	2267	4261	0	862	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	533	0	0	47772	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2228	3020	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.45454547	1.8181819	0.0
20	C11 H20 O5	233.13835	233.13844	-0.07575919	233.13834	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	245675	0	0	0	0	0	1442	0	0	0	0	0	0	0	0	2139	845	689	0	0	1162	0	0	0	0	0	917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	965	0	0	2018	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	985	0	0	0	0	0	0	0	0	0	0	0	1165	0	0	Lipid	0.45454547	1.8181819	0.0
6	C11 H20 O5	233.13835	233.13866	-0.23985238	233.13829	843	641	895	0	0	0	681	0	0	1393	1298	0	0	1620	0	0	0	0	0	0	769	0	0	0	0	552	760	0	0	0	0	0	0	896	1162	0	0	0	0	0	0	0	714	0	0	0	0	0	0	0	0	1029	468	0	0	0	0	0	3794	0	0	1179	637	0	1523	0	644	0	0	0	0	0	694	1338	0	0	0	0	0	0	0	397	3044	2464	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	621	1187	0	0	56542	0	0	0	0	0	Lipid	0.45454547	1.8181819	0.0
10	C10 H20 O4 N2	233.14958	233.1495	-0.045983646	233.14957	0	1343	0	0	0	0	0	0	0	0	0	0	0	1557	0	0	1649	0	0	0	0	0	0	0	0	0	0	2821	0	0	0	0	1610	1168	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1917	0	0	0	0	0	0	1057	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18085	0	0	0	0	0	0	0	0	0	0	32715	7539	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	2.0	0.2
6	C10 H20 O4 N2	233.14958	233.14987	-0.14388333	233.14955	0	13620	13671	12840	887	6194	8580	8545	0	0	1400	12201	0	0	14725	31735	46064	43120	1145	0	0	12355	8022	6247	16514	836	15499	5727	18828	7994	6521	24037	20539	25447	741	12428	21803	29494	70291	0	0	32899	0	0	0	0	0	0	24243	6806	13120	15139	6475	0	988	437	25713	38142	0	0	22613	0	0	3397	8520	3010	19387	78646	0	2113	0	8175	9999	4918	8940	9086	0	12841	9336	43780	15685	1542	0	0	586	21705	9660	76334	26066	23678	54399	12829	10520	4270	0	0	13717	10359	3111	0	1159	17294	13016	0	0	15969	1290	0	36268	17509	Peptide	0.4	2.0	0.2
8	C10 H20 O4 N2	233.14958	233.14987	-0.005429185	233.14958	9332	7727	9905	8106	0	2828	3945	10731	0	0	0	10946	0	0	31197	28833	11106	116874	1234	0	0	4513	14354	12211	32471	0	10444	6348	4114	3543	2928	5763	3609	3923	0	3025	2018	23484	9228	0	0	13318	0	0	0	0	0	0	9560	7954	5904	5268	1883	0	0	0	8395	19902	0	0	28125	0	0	797	2999	2211	13402	23870	0	0	0	3899	3696	2281	3628	2833	0	5637	11048	23063	14776	0	0	0	0	8864	12089	8446	1795	15118	32681	13507	26542	2049	0	0	4988	6997	1317	0	0	4944	6010	0	0	7562	0	0	19817	1839	Peptide	0.4	2.0	0.2
2	C10 H20 O4 N2	233.14958	233.14996	-0.109132186	233.14955	115967	123916	104590	120307	24724	387309	2395	38171	5089	18732	149858	8636	28956	26150	21564	8621	8880	89844	25909	3119	2675	50885	16455	106081	38182	0	0	1106966	62668	29437	45212	46357	59467	66121	13763	33651	48558	19557	16522	2488	0	116669	952	0	0	8103	1348	0	61476	20421	112946	123959	17506	1825	3658	2705	5285	96422	626	445	23414	0	24563	3510	17655	40099	30629	13187	0	4609	878	51649	48215	30594	2780	23387	0	7548	20651	2760768	7399	0	895	0	3044	8813	17871	25427	53160	25474	2076195	1418919	47692	805335	15017	699	105970	102625	23669	3661	4993	39654	11850	12475	455	58429	4167	0	12326	34050	Peptide	0.4	2.0	0.2
4	C10 H20 O4 N2	233.14958	233.14996	0.06321326	233.1496	2514	3935	3883	3405	1380	1309	1479	665	2821	0	1906	856	2058	0	1024	2362	3498	3268	1401	0	0	2772	937	1266	1525	0	2295	5176	684	970	768	804	948	1025	0	835	1224	1137	3427	0	0	1064	0	0	0	0	0	0	1208	739	3356	3532	1447	0	1739	760	1635	3316	0	548	1598	0	1448	608	0	2213	450	3804	0	0	0	741	1294	928	0	1172	0	692	1828	27136	1476	990	369	0	1103	1512	2167	1338	1217	6857	136713	72029	3649	51551	1569	0	3984	3242	2726	1359	1501	1018	999	0	0	2206	4472	0	1360	3075	Peptide	0.4	2.0	0.2
26	C15 H20 O2	233.15361	233.15387	-0.0457615	233.1536	244040	247076	217619	212179	280940	158135	227459	298307	239778	146395	151732	187004	233268	244291	279045	296976	231012	210917	320607	193412	189170	250343	188380	233340	261659	167172	217087	203799	237251	235162	228430	257412	289218	186608	178041	264242	262421	274876	280399	165796	156142	266868	52051	67911	48123	161460	118209	72730	264558	240763	247176	245607	239252	36173	253621	227463	185659	366935	173014	142108	318788	110389	235960	207575	163533	244579	235918	281685	147998	164417	175237	175771	186211	236818	169802	268142	41354	189725	266294	220591	186533	174777	197110	157790	267362	178997	361480	182902	209409	409897	363033	295705	446138	156383	183509	70538	230761	253490	201833	329616	328458	305649	199298	208130	130396	249848	225423	70106	259236	204261	Lipid	0.13333334	1.3333334	0.0
4	C12 H24 O2 S1	233.15698	233.15735	-0.034759194	233.15697	4175	5181	5064	4678	0	849	7080	35472	0	0	0	0	0	0	0	30914	26702	0	0	0	0	0	0	3901	2152	0	5317	0	39193	6946	57651	14106	17670	6636	0	19621	17352	0	36937	0	0	1659	0	0	0	0	0	0	51646	15978	7238	4163	0	0	0	0	0	25893	0	0	29639	0	0	0	0	0	2559	34980	0	2277	0	6902	4605	1829	18619	15811	0	0	0	0	0	0	0	0	0	0	0	0	2972	0	0	0	0	0	0	0	3984	5066	0	0	0	11695	0	0	0	2571	0	0	1192	0	Organosulfur	0.16666667	2.0	0.0
6	C14 H20 O1 N2	233.16484	233.16518	-0.091982916	233.16483	13290	13092	14187	12781	2834	22609	9167	14758	4391	14531	9263	10516	1209	14289	6340	27794	17201	4952	10138	15575	13930	6504	6804	24210	10476	6357	22713	23937	13485	16923	16097	18442	13903	13012	12615	13179	12185	10480	19589	6351	3413	20716	0	0	0	6304	4855	0	22875	10633	14661	14165	12364	0	3054	648	9736	24402	0	0	26688	3980	620	4321	15463	5875	28264	29470	2525	6491	6723	13985	11107	12412	19254	15985	0	7998	8380	78098	17423	467	350	10197	842	3877	10885	10867	14299	34935	51363	12226	31556	10227	13144	0	13502	11853	2841	456	0	13627	9062	4458	0	37558	477	0	18635	1058	Unclassified	0.071428575	1.4285715	0.14285715
12	C14 H20 O1 N2	233.16484	233.16508	-0.114796825	233.16481	3963	3242	3511	2837	0	1525	3297	1870	0	2592	2607	1539	0	0	1454	3272	5444	1227	0	1300	1981	0	0	0	2995	0	4221	11459	2213	7112	5849	5181	12248	5589	0	4444	13696	1301	5180	0	0	0	0	0	0	0	0	0	7631	3388	3755	3104	1438	0	0	0	0	4062	0	0	0	0	0	0	0	0	0	5114	0	0	0	5877	1908	2930	4006	3523	0	1517	0	32671	2832	0	0	0	0	0	0	1887	3177	0	265795	71702	0	7012	1329	0	3927	4135	0	0	0	13139	1671	0	0	3958	0	0	1616	0	Unclassified	0.071428575	1.4285715	0.14285715
10	C14 H20 O1 N2	233.16484	233.16508	-0.019656375	233.16484	0	1440	1958	2115	0	0	0	1274	0	1347	2682	816	0	0	0	0	1140	0	0	1548	0	0	0	0	0	0	0	15084	1623	1066	2098	0	1399	955	1495	0	1634	0	0	0	0	0	0	0	0	0	0	0	1442	0	1481	0	887	0	0	0	0	1276	0	0	0	0	0	0	0	0	0	1272	0	0	0	1158	1228	0	0	0	0	0	0	37893	0	0	0	0	0	0	0	877	0	2903	106883	19592	0	3193	1186	0	1542	1663	0	0	0	1626	0	0	0	0	0	0	0	0	Unclassified	0.071428575	1.4285715	0.14285715
4	C14 H20 O1 N2	233.16484	233.1652	-0.13756195	233.16481	11963	15218	11992	11817	2133	6955	7522	29663	1425	18473	11658	10493	437	1171	13568	34381	22713	3261	6348	20051	22356	10787	8921	24977	22651	6390	13044	18972	16537	16459	17017	20618	19619	15887	24433	21536	16822	10142	24337	16414	10828	5886	0	0	0	9601	9901	0	21569	29948	13835	11089	3414	0	1690	358	2822	19698	0	0	20713	9153	1016	1437	2797	3644	5692	28191	2897	7272	8115	17620	18063	22195	28262	19370	0	10243	13139	23612	12265	1255	1139	15543	1265	7489	11408	6952	5859	32732	31884	4543	33641	12941	18192	0	13516	11937	832	359	392	16750	7506	13909	4415	19143	600	0	11489	1496	Unclassified	0.071428575	1.4285715	0.14285715
14	C14 H20 O1 N2	233.16484	233.16508	-0.12396049	233.16481	0	2057	2269	1541	0	1493	0	5032	0	0	0	5233	0	0	4067	3715	3721	0	0	0	0	0	2324	5529	2874	0	3073	0	5077	4824	2908	0	10390	3704	0	3525	11936	2974	4326	0	0	1579	0	0	0	1477	0	0	4916	4341	2436	3186	1128	0	0	0	0	3742	0	0	0	0	0	0	0	0	1192	4829	0	0	0	6997	5774	2081	5321	3163	0	3762	0	16542	0	0	0	0	0	0	0	3889	1350	0	152747	24274	5266	2718	3757	0	3851	3694	0	0	0	5540	3568	2975	0	9191	0	0	1738	0	Unclassified	0.071428575	1.4285715	0.14285715
8	C14 H20 O1 N2	233.16484	233.16516	-0.035685074	233.16483	4589	5161	5528	4320	0	1787	2189	5336	0	6493	4182	2803	908	940	1952	2807	4171	933	1683	4220	2860	1053	2447	4841	4916	2334	2355	20158	2596	4351	4000	8138	3821	5317	6371	3361	4896	2219	3816	2533	719	1266	0	0	0	2140	3148	0	6299	2479	4472	4856	1207	0	0	0	745	4297	0	0	5790	1172	0	0	0	2045	950	11244	0	3948	1808	4511	4990	3041	4824	5487	0	2540	2870	44839	3631	0	0	4752	0	0	9745	2847	2407	11606	128388	36986	8476	5958	7104	0	2493	4516	0	754	0	3538	1929	0	0	2600	0	0	4604	0	Unclassified	0.071428575	1.4285715	0.14285715
2	C11 H24 O3 N2	233.18597	233.1863	-0.17502843	233.18593	2018	2504	1821	1508	64929	0	0	1489	0	0	0	501	1721	4004	403	815	0	1021	433	0	0	553	459	1789	779	0	0	0	2100	933	897	1348	2342	1539	0	1759	1827	405	870	0	0	4107	0	0	0	474	0	0	2420	915	2538	2032	35495	0	0	0	465	2909	0	0	286	0	779	0	0	2671	2427	0	0	0	0	1118	870	519	428	1508	0	640	436	0	450	0	0	0	0	0	696	672	1108	1620	0	0	1898	0	0	0	2706	916	1342	0	0	1531	338	754	0	2083	5727	0	347	454	Peptide	0.27272728	2.1818182	0.18181819
0	C11 H24 O3 N2	233.18597	233.18625	-0.3833914	233.18588	0	0	0	0	2900	0	0	0	0	0	0	0	0	0	0	0	1377	1550	0	0	0	0	0	0	0	0	0	421	1537	0	0	0	2832	0	0	0	0	0	1180	0	0	0	0	0	0	0	0	0	1195	0	0	0	3526	0	694	412	0	3219	0	0	1590	0	0	0	779	1759	0	1377	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1297	1272	0	0	2556	0	0	2635	0	0	0	0	0	1166	0	0	0	0	0	0	2114	20995	0	0	1653	Peptide	0.27272728	2.1818182	0.18181819
26	C16 H24 O1	233.18999	233.19025	-0.061001666	233.18997	61735	67440	59549	57799	56763	35974	108279	50048	124563	33429	74775	38946	57429	71979	97244	72447	95467	34649	56362	43854	48532	35962	32679	33302	59552	73331	146498	109915	63506	59882	43508	61938	55401	40341	49463	71526	46483	116279	129221	38371	49458	48797	15878	20053	19632	36455	40077	17431	57991	58106	73702	62521	49638	22800	47226	119799	166989	65814	40339	51513	57932	31548	66331	35969	56466	69923	82084	120130	79970	44004	85789	36773	34616	63955	66264	61018	21568	40448	59194	119758	37372	62753	61370	65385	80465	48491	116790	38452	43521	115695	115093	99585	56315	47597	42670	21991	66152	72652	474627	69506	72330	62675	39136	47569	55428	43263	59375	18395	83572	54159	Lipid	0.0625	1.5	0.0
18	C16 H24 O1	233.18999	233.19022	-0.08916306	233.18997	3518	5160	3396	4724	1722	3147	12585	3834	2276	0	1733	2599	0	6920	0	5347	9100	0	3398	0	3493	4063	2449	1621	2223	0	10998	2712	4050	4259	1869	4417	3158	0	0	5132	2020	4119	13103	0	2165	1726	1275	861	746	2142	2055	1598	3864	5616	8169	4728	2405	1859	1691	1396	3054	6944	0	7063	4468	0	2091	0	3768	2984	4777	13466	1330	0	0	3379	3697	5230	11730	4796	1215	1299	5344	22541	2393	2090	12138	10210	2549	2681	9661	7632	1425	25845	19732	7065	4656	5137	1813	1184	5127	2854	1487	3632	3990	1794	3395	2262	0	3318	3485	847	5348	2017	Lipid	0.0625	1.5	0.0
20	C16 H24 O1	233.18999	233.19023	-0.08263905	233.18997	16895	15369	17928	16199	9604	7927	52035	8492	5767	7846	8251	8537	5368	27460	10523	22601	38810	5791	9439	7299	7238	7521	6306	9900	9406	22910	57940	16194	9825	14322	8647	16198	17384	12294	8397	18766	9639	10402	36210	6232	10473	11901	3183	1638	875	6866	12190	1311	12957	16078	15741	18330	7870	4109	7000	9693	9080	19114	4207	21688	15546	2278	12553	3552	17713	17980	17743	34874	6758	5538	13666	11438	12148	18465	28542	15957	1705	5815	20108	61426	7743	9396	45165	43408	8748	10538	25884	30799	10905	75856	47179	29340	19919	13031	10785	2654	14424	17626	11224	10939	11431	17013	10160	8386	6680	9231	13348	1779	18109	11192	Lipid	0.0625	1.5	0.0
24	C17 H28	233.22638	233.22658	-0.05832804	233.22636	3952	5842	4515	5596	832	6959	136268	0	0	1302	8023	867	0	75159	1497	1613	3322	0	2687	1677	1428	3046	0	0	1395	12611	151118	13243	0	2463	0	1354	3457	914	1523	1998	0	1622	5992	1547	5552	12047	0	0	0	3149	5896	0	4283	6527	5929	5421	897	0	0	4868	6526	1714	1025	11378	10359	2701	17976	0	65348	2680	7884	3758	4633	2294	5593	1118	0	2030	1640	5755	0	0	1276	15063	1279	6332	23640	34712	0	0	2330	3782	4837	5142	12003	8684	2655	0	3561	0	5617	4918	8994	0	0	1670	0	8070	1667	1509	0	0	3345	7632	Lipid	0.0	1.6470588	0.0
26	C17 H28	233.22638	233.22655	-0.018403353	233.22638	10287	11276	11389	9555	2786	9442	183292	0	2208	2948	19473	5356	0	93998	0	0	8838	0	0	5088	0	2827	0	0	0	30731	171178	32183	0	5835	3197	5510	7177	2755	5544	8597	2724	7566	11466	3127	11649	8393	4889	0	0	6506	7955	0	9095	7814	11670	11478	4024	0	0	17535	20135	6716	6233	17022	15092	6000	18454	0	147469	5293	12591	12654	18109	5724	9506	0	0	0	0	8010	0	2909	3324	35703	4351	18504	23715	39152	0	0	13030	5254	5314	8342	20920	12213	4684	12903	6832	0	10601	8904	24368	2199	0	0	4362	16102	12166	2435	0	0	4636	8547	Lipid	0.0	1.6470588	0.0
22	C17 H28	233.22638	233.22662	-0.11604338	233.22635	0	0	0	0	0	3945	25062	0	0	2855	0	0	0	4879	0	0	0	0	0	0	0	0	0	0	0	1950	27433	0	0	2020	0	0	4141	0	0	0	0	0	0	0	0	3063	0	0	345	1656	1572	0	5469	14244	0	0	0	3762	0	0	0	0	0	14782	0	0	2149	0	3062	2590	0	1669	0	0	0	0	0	0	0	7193	330	0	0	0	0	0	5341	13509	0	0	0	2951	0	0	1896	0	1915	0	5079	0	0	2538	0	0	0	0	0	0	0	0	0	0	0	7033	Lipid	0.0	1.6470588	0.0
12	C11 H7 O5 N1	234.0397	234.03998	-0.022661494	234.03969	7071	13715	10303	10564	15632	10721	5184	0	13143	3143	3155	8801	13738	10626	3742	8375	13895	21497	33134	0	1272	10978	8501	9731	2236	0	0	0	5760	4242	5481	7385	22802	7183	1812	4256	18309	5308	14555	0	0	22849	420	568	591	0	0	793	8954	1336	7438	9458	17970	530	11013	4491	10265	18321	0	0	0	0	27164	17110	7755	26107	18254	14759	0	0	0	5277	3210	1447	7900	6575	394	5781	6589	0	8151	1424	0	0	7568	5745	10940	36362	22819	19742	12328	11960	19555	0	0	926	12338	10143	8522	7575	7936	15171	9191	0	0	28028	6831	629	3545	30570	Phytochemical	0.45454547	0.6363636	0.09090909
14	C11 H7 O5 N1	234.0397	234.03996	-0.046228085	234.03969	8099	10694	7141	4993	18231	11682	6379	5508	12377	3269	2059	8821	11693	11492	6677	9076	10955	22448	20523	0	0	6735	8453	12233	5459	0	6997	0	3463	1705	5280	0	12363	3342	1806	3125	12446	6781	13236	0	0	11002	0	588	939	1464	0	1180	5758	5150	7969	7547	17995	501	14120	4441	8494	12645	0	0	0	0	22349	13346	7340	18541	18126	15709	0	0	0	4126	2001	2064	4193	2336	528	6965	19991	0	11868	1168	0	0	13106	10063	18060	23635	16339	26759	0	2664	17675	0	0	996	8803	7038	5289	10007	6492	11388	5249	0	0	11874	5736	699	8441	17503	Phytochemical	0.45454547	0.6363636	0.09090909
16	C11 H7 O5 N1	234.0397	234.03998	-0.03811724	234.03969	6643	6351	5393	6058	15785	8274	7137	5178	10769	1857	1486	5987	12387	13354	8008	11759	11665	20216	22113	0	0	7090	11168	11170	6688	0	6259	2197	4316	2898	5421	0	16014	4117	0	1963	10148	5450	8356	0	1653	8339	1021	851	1406	1264	0	1288	7433	3292	6057	5871	14217	706	7949	4232	8849	12391	0	0	11311	0	22337	13635	8229	26751	15014	8194	0	0	0	3280	2772	0	3801	3393	716	4884	20320	6212	11321	1282	0	0	10847	7743	16724	15031	14442	30570	0	2847	0	1640	0	1483	7242	4974	4862	6774	7843	9596	4537	2419	0	17441	4894	1141	10682	21661	Phytochemical	0.45454547	0.6363636	0.09090909
20	C11 H7 O5 N1	234.0397	234.03992	-0.08386968	234.03967	6829	10504	7015	8340	7922	7192	9703	4600	7431	0	2636	12832	2517	4880	12505	24092	27047	9660	15160	0	0	13800	16839	20009	10375	0	11725	0	4613	2045	5508	5442	24126	3919	0	2399	19142	9380	27488	0	0	12063	1431	1251	1105	0	0	2208	5209	3261	12529	8233	11162	1439	4361	1196	6686	20128	0	0	18223	0	10528	8550	8169	15165	10215	36173	0	0	0	3256	3542	1565	8779	2047	773	5101	48315	4538	28147	1647	0	0	6147	8597	45776	17637	14364	111859	7494	2210	49041	1599	0	1683	8214	8541	3736	2646	2810	17815	12021	0	0	28534	4291	1227	20844	15070	Phytochemical	0.45454547	0.6363636	0.09090909
10	C11 H7 O5 N1	234.0397	234.04	0.021046385	234.0397	4226	5350	3097	5081	14029	10234	1975	1430	15388	1326	1492	3950	15683	25001	2025	3941	4797	27235	18006	0	0	3722	6655	4094	0	0	2549	0	2185	1800	1739	2155	6588	2579	1931	2039	4743	2093	6020	0	0	7026	0	0	619	0	0	953	2170	1258	4047	6131	10809	709	9453	4127	4863	6327	0	0	0	0	22580	12205	6047	19012	11744	7176	0	0	0	2556	1217	1123	3432	1621	0	2182	6511	0	4212	872	0	0	11361	5814	5454	11497	11258	6872	3082	3094	6774	0	0	593	4628	4106	4109	8226	6321	4406	3930	0	0	4981	5959	0	3012	31470	Phytochemical	0.45454547	0.6363636	0.09090909
6	C10 H12 O4 N1 Na1	234.07368	234.07411	0.11017245	234.0737	823	0	0	0	0	525	0	0	0	0	0	639	0	0	0	1014	0	0	0	0	0	0	550	0	0	0	0	0	6290	0	0	2123	0	1289	0	1595	0	471	0	0	902	0	0	0	0	0	0	0	1457	0	595	0	441	0	0	0	354	0	0	0	0	0	0	0	0	0	756	0	0	0	0	0	688	0	302592	3382	0	513	0	0	0	376	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	996	0	0	0	Phytochemical	0.4	1.2	0.1
12	C12 H11 O4 N1	234.07608	234.07639	-0.04180003	234.07608	86814	89144	83334	96511	71120	61421	78369	80719	63668	49272	37833	50233	78199	40656	56121	130863	105506	111290	122206	50630	47508	87220	67325	97111	53874	12936	79291	33734	64783	74229	65033	88312	126483	91438	53204	75653	135247	56720	129046	47952	62004	81586	4901	4401	4948	44497	38759	6067	95810	68741	89540	83695	81072	3904	77189	42521	49342	125614	28564	49717	102906	22037	93796	59520	35851	106997	64381	113056	21010	30682	36253	66654	75205	62133	97028	75669	3089	45871	79563	55243	68204	34004	36091	29153	53340	45683	94917	94071	80428	180769	72713	64508	152214	38211	62026	5917	81933	90573	50865	55038	49881	128203	58871	53346	0	100623	49092	4453	63034	117960	Phytochemical	0.33333334	0.9166667	0.083333336
16	C12 H11 O4 N1	234.07608	234.07635	-0.056867022	234.07607	28102	27277	27948	31293	47335	28219	28052	23703	25591	11569	20204	17772	34980	27390	24258	38697	41074	55027	48025	14690	10653	28363	29692	33243	28200	5457	27033	16811	24003	26072	24102	31511	39555	27023	14776	18919	54310	20343	44688	15466	21225	33347	6390	4834	6511	14875	12600	6476	28073	24151	29919	31351	36431	3799	19855	19964	20898	41969	13623	22176	28395	8827	36213	24667	17675	43737	34634	42125	6731	8140	12523	21530	22876	13483	26779	25622	4013	17624	47212	30309	30229	17027	13216	11842	31919	22614	45283	41188	36151	73158	21950	25326	51986	16582	20733	6923	28109	25809	23150	26679	28559	39931	18761	19432	5458	38549	19998	4065	35137	48161	Phytochemical	0.33333334	0.9166667	0.083333336
6	C12 H11 O4 N1	234.07608	234.07645	-0.00792071	234.07608	33652	36668	29266	36459	36651	23206	29073	31305	46614	20045	21168	22634	47004	22099	21692	36496	42186	53617	55593	21857	25914	45476	27143	36051	19950	13839	24048	11872	27700	35626	34883	26079	51293	28680	31593	22089	48477	26709	52964	18576	31132	29855	3778	2887	3549	21934	23816	3762	27911	30272	38688	34172	34753	3621	48900	31866	25421	42736	19541	26153	36446	12878	49859	33880	19062	42103	33457	58776	18386	21555	29868	23541	23295	19326	19706	31397	3472	21412	32509	13505	29258	20131	18720	13314	33892	25986	33756	40068	36694	64697	20351	24369	61723	19168	25680	4240	33054	33931	23465	35684	36784	48586	27540	28918	14760	38014	28663	2752	23489	64548	Phytochemical	0.33333334	0.9166667	0.083333336
8	C12 H11 O4 N1	234.07608	234.07642	-0.030340264	234.07608	58046	61197	43503	61777	58749	37153	44410	51226	64483	32142	40813	40540	83328	32191	44991	75726	76531	78851	101093	41748	43141	76527	51539	64086	35926	22812	48579	21677	44160	40404	40473	53691	75179	36511	48146	38040	71022	46315	97684	44401	59276	47055	4824	3169	4833	36967	37473	4134	48660	39793	55376	55048	58280	3454	76581	45752	42016	67633	34720	41932	62892	27043	73803	70351	33304	66907	44949	88920	27667	33522	44083	36923	36632	29999	48260	47791	2934	35417	68103	40597	48845	32875	31000	28566	59522	37487	80296	59033	63492	144252	35343	67303	115320	40550	49620	4909	54960	61167	50615	58620	60978	75125	36953	44781	18172	63532	44430	3201	44953	88759	Phytochemical	0.33333334	0.9166667	0.083333336
4	C12 H11 O4 N1	234.07608	234.07648	-0.027768577	234.07608	19164	20273	14814	18921	26624	12349	16781	17291	26630	9043	11922	10256	28781	15684	12242	16655	38901	33283	25673	9858	13752	19240	14444	14792	11036	7434	14732	7024	16470	41204	38135	12249	46686	8655	15272	11459	45046	12120	41669	12911	14277	16349	4082	3135	4632	13212	12682	5317	12248	23814	18935	15032	20918	4013	27133	23160	13969	20064	8925	11338	16075	7031	31581	23923	12056	24247	14563	40611	10377	9004	12651	11767	13754	13164	14858	22699	3087	12742	15770	9186	16026	12667	8522	6825	22640	17519	16800	19197	17742	20776	12687	12853	23397	10117	11062	8773	15904	18259	18872	29477	23868	44479	15966	13258	10196	18502	16983	4326	11112	34698	Phytochemical	0.33333334	0.9166667	0.083333336
10	C12 H11 O4 N1	234.07608	234.07639	-0.0334048	234.07608	75603	77968	74078	71318	95095	69004	68964	78144	75954	43911	41876	57301	95154	51350	59834	126001	88037	129794	124683	53201	56020	94217	68953	101489	58395	26261	94829	32841	67837	63268	65577	76151	116673	61750	57225	63471	115254	55397	111057	53507	71039	61468	6728	3765	5961	42785	43310	6045	86186	58091	77063	81814	106506	4350	88304	55193	48088	135351	39472	50444	127749	29049	95944	79199	43525	113711	76008	111697	28667	36602	41383	58940	56106	46352	73281	60197	4251	49885	87780	55304	68875	38277	33678	26987	76150	60938	103771	92210	91621	161614	60890	54933	137933	47680	61283	6579	84425	75277	59516	70267	65905	103979	57259	49306	18044	97852	61312	4006	60390	128308	Phytochemical	0.33333334	0.9166667	0.083333336
14	C12 H11 O4 N1	234.07608	234.07637	-0.05168849	234.07607	64120	58493	50498	57355	99217	45182	57020	51444	50260	29962	34176	38726	77714	51049	40410	71526	57272	78249	88122	24986	30308	67596	37452	57284	47249	11517	54031	28996	36384	44221	46419	57117	71677	47692	35707	41158	84075	40067	72113	37679	61883	47675	12487	4523	4314	32317	27616	5673	62782	34782	58575	59012	63912	4279	54500	32931	40960	76050	18600	26763	59459	18947	79356	51260	30709	80483	53134	78479	0	21899	24952	45486	39563	29787	43641	43465	3703	42503	74020	35286	51674	21684	26991	20079	62787	31791	68355	79103	67988	148360	51877	51728	116138	32261	46162	6781	58577	52303	38720	52126	52064	56751	45182	38877	0	86298	36113	4454	59204	89564	Phytochemical	0.33333334	0.9166667	0.083333336
10	C9 H15 O4 N1 S1	234.07945	234.07971	-0.116103485	234.07942	1428	1171	1910	1630	3032	1256	3149	4502	2311	0	0	2218	4436	0	4342	6751	2480	3919	2786	0	0	3546	8647	6352	22675	0	4807	0	3342	3514	8299	1389	2980	2241	0	958	3311	3402	2346	0	0	1171	0	0	0	2661	0	0	5964	2939	2535	1969	1745	0	0	1908	0	9360	3317	0	0	0	2012	0	0	2118	0	3124	0	0	0	4469	1936	1550	2162	1568	0	1966	1968	0	11991	2914	3314	0	2626	1469	3082	1926	1831	1872	0	3501	13301	0	0	0	1185	2974	2658	8566	6162	2685	2295	0	0	4998	2597	0	7130	3013	Organosulfur	0.44444445	1.6666666	0.11111111
6	C9 H15 O4 N1 S1	234.07945	234.07977	-0.07658895	234.07944	3011	2846	2346	2466	2243	2660	1383	2596	2306	0	0	2353	1825	1528	1902	6288	4593	3641	3252	0	0	7120	3739	7564	1375	0	1273	0	2098	1358	3568	2779	3678	2239	0	1229	2994	2155	4801	0	0	1924	0	0	0	2575	1476	0	2892	598	3515	2024	3172	0	2125	1057	1363	10575	1225	1588	4307	0	1674	1994	1292	3786	2067	5464	0	0	0	1247	1077	905	2261	1020	0	1731	6115	0	3145	1170	891	0	1892	1150	23269	7049	5245	9449	4541	3061	17138	556	0	0	2512	2561	2021	2158	1998	3640	2954	1755	0	9616	1611	0	2344	2869	Organosulfur	0.44444445	1.6666666	0.11111111
6	C11 H11 O3 N3	234.08731	234.08768	-0.024233881	234.08731	19901	21046	17656	18415	11538	8136	17383	21127	10497	14603	11724	14575	10552	7431	14297	37660	31503	18118	23845	12344	17174	25223	18725	35561	20249	3353	15622	7235	17825	14282	18032	19244	28662	20285	18702	17632	23314	16863	47640	13874	24195	13936	0	0	0	15532	16451	0	21572	17612	20007	19865	14847	306	12036	5257	8770	30852	6401	14536	35547	8758	12104	7446	8129	12783	15495	43495	5428	10128	9993	15226	12184	9738	16043	15198	0	10536	24858	7570	20460	8008	7468	8527	8957	9060	28898	25483	19426	85220	15583	14642	61482	11295	12703	0	19352	21546	5623	6599	7530	24952	11282	13369	0	36139	9326	0	26273	16189	Peptide	0.27272728	1.0	0.27272728
2	C11 H11 O3 N3	234.08731	234.08772	9.08E-5	234.08731	10300	11158	9059	10373	15266	0	9927	12746	12512	8963	12833	11420	13470	7010	10244	5311	16877	20457	18220	8115	14617	14773	11794	10490	5937	3980	2564	9194	15781	6323	13447	7592	17373	12037	13928	6602	11361	8544	19573	10017	13417	12730	218	0	0	5781	11430	0	8922	5691	10857	8782	14781	273	10609	7351	10137	14599	3260	8534	4664	5497	17879	11741	10363	26497	17429	20562	4232	6406	6223	7908	8124	4763	4374	9140	0	8994	13596	5918	10046	4682	4564	4634	11589	9762	13621	20227	17057	41974	6573	9448	32895	8717	4063	417	11247	10250	11274	9602	9932	7001	11601	6671	6208	21158	9378	0	12322	19923	Peptide	0.27272728	1.0	0.27272728
4	C11 H11 O3 N3	234.08731	234.0877	-0.0521293	234.08731	9339	10015	10234	8143	9737	5050	6763	10546	7174	10399	8683	6626	7967	4258	7687	13882	17681	12387	13180	10055	11796	16383	9322	14337	6739	3488	8140	6594	6161	6965	6987	6693	11122	6147	12434	5914	9976	9096	23400	11605	19579	8073	0	0	0	11622	14749	0	8602	8486	8873	8793	8950	0	8922	4812	6352	15148	4381	10822	14528	8026	8407	6896	5828	7830	7645	18542	3447	4808	6062	7342	5152	5348	7414	8571	0	5046	11748	5242	11346	7392	4604	6299	10402	8750	9830	14008	8785	35532	6740	7283	28651	7809	10822	0	9185	11492	6493	6651	8057	10449	7196	10343	6784	15182	6604	0	10515	10017	Peptide	0.27272728	1.0	0.27272728
12	C11 H11 O3 N3	234.08731	234.08762	0.001952511	234.08731	4961	6471	7845	5374	2694	3372	3367	8532	2731	0	0	3050	1428	1727	3798	5299	8140	6672	4424	2694	2991	8117	4266	0	5886	0	2847	0	10590	7723	5960	15608	17901	6418	4053	12182	15810	5588	11756	3960	7533	4405	0	0	0	2949	4100	0	9003	6965	5622	4463	5642	290	1686	960	1629	12539	0	0	0	3537	1112	2246	1716	6282	3871	9940	0	1559	1998	5190	5155	7625	5092	9616	0	4845	4949	0	6483	2534	2349	3002	0	1470	8567	5207	6386	16557	0	4036	20714	4065	2374	453	6595	4926	1849	1750	1910	6399	4035	0	0	11801	2054	394	5342	2914	Peptide	0.27272728	1.0	0.27272728
10	C9 H15 O6 N1	234.09721	234.09749	-0.04855364	234.0972	12916	9864	7369	9394	19327	14519	6664	11963	13924	3958	9687	11631	22242	18063	12461	15757	21536	31000	25039	3347	4707	4394	12788	6555	7013	0	6587	5395	14392	13802	12562	15270	15418	14474	3370	16044	22075	8877	18376	0	0	24869	3053	1314	1912	2695	1931	1265	13675	11557	10228	11450	14517	2551	12466	8496	8770	12223	0	1656	14559	0	13905	11483	11061	22966	20991	18599	0	1693	0	12857	13928	18652	15352	13634	2176	12381	6908	7643	7738	2664	2514	0	14677	12780	8318	18038	21010	7859	5651	5277	9026	1751	1207	1836	12485	12496	8938	9607	12483	22575	9933	0	0	10652	11258	1465	5032	16062	A-Sugar	0.6666667	1.6666666	0.11111111
6	C9 H15 O6 N1	234.09721	234.09755	-0.042312592	234.0972	18864	15433	13701	18146	21361	16809	13431	24321	22956	3435	6868	12081	41191	14520	18594	20325	19683	36977	33057	5991	4867	9806	18570	19415	9765	762	9887	4047	23917	17559	18462	21951	26780	21909	6578	21934	23256	14442	20773	0	1828	23730	2503	765	1192	8546	4913	719	22949	16854	16362	13270	21627	2349	28609	14752	12530	16882	3738	3496	19283	1310	29274	16453	15013	33092	24421	23325	0	2044	0	19854	19682	23163	11082	16041	863	13850	10484	5113	9185	4745	4039	1566	19947	15580	13784	22885	24536	12398	11617	9413	18944	4899	2413	1283	17026	17139	12724	12379	23464	32162	15473	4203	0	16584	18566	1070	9443	37281	A-Sugar	0.6666667	1.6666666	0.11111111
4	C9 H15 O6 N1	234.09721	234.0976	-0.039974388	234.0972	12528	13462	14052	11960	17733	19587	8820	17541	13621	2672	4531	10043	32797	13176	11704	15968	22720	27995	22776	5950	4075	8482	10990	13584	8001	703	7923	4402	16855	12876	15952	17243	20373	17564	3566	17133	22384	9780	21721	1388	1044	19372	2351	899	1338	5519	2656	902	18916	11983	13016	10677	17516	1988	13897	12175	9152	17452	4210	2569	15041	0	21365	13227	10954	24943	16395	24201	1337	1705	0	20054	17381	17456	6662	13966	869	10171	7840	4870	7217	3309	2891	1038	11053	10573	9860	23993	19920	12510	7146	7114	18269	2164	1923	2188	11184	13959	10625	12810	15705	19335	8746	4447	3851	14285	13355	1335	6588	34017	A-Sugar	0.6666667	1.6666666	0.11111111
0	C9 H15 O6 N1	234.09721	234.09761	-0.16112696	234.09718	16135	16707	17422	14958	34950	27285	2783	26130	9907	5113	1353	7320	45766	30695	4642	2479	4098	49081	35567	6032	12031	26109	9588	24185	6683	0	0	0	38622	9865	27549	31495	57844	49401	11806	29235	38712	4254	6157	3499	0	36205	0	522	732	8564	0	574	32766	10672	16554	13986	33479	1148	13167	5749	2368	41437	2382	920	9695	0	51002	17711	2631	39107	50401	5132	610	5401	0	41057	43550	20629	0	21696	674	8298	4653	1396	3969	1255	1397	0	3800	3434	4924	29406	40283	10242	16066	13096	31357	1664	0	664	18835	13002	4050	3651	2768	23642	0	7809	1020	37193	4836	307	4878	86766	A-Sugar	0.6666667	1.6666666	0.11111111
2	C9 H15 O6 N1	234.09721	234.09761	-0.02876376	234.09721	22198	24973	18538	20681	37585	38459	8242	24797	22255	5768	3734	15096	57571	25960	12211	4594	12388	50622	36160	8034	10013	22369	15202	17795	7376	0	1673	2831	39927	14897	29945	26515	51518	49721	14122	28131	39618	9730	13589	4640	1189	31437	1448	423	894	8622	2610	612	29494	13071	22992	20091	35094	1246	22082	11486	8419	32744	5188	2484	10906	917	52142	21355	8969	49255	38871	17072	1650	2900	1111	52482	47252	26566	1963	24741	671	14516	9483	0	8762	2730	2379	1286	11169	9233	10036	40001	41573	14037	13164	14932	28996	2300	1282	1310	23109	21518	13369	8852	11776	26195	12825	8621	2574	33479	9592	562	6981	80201	A-Sugar	0.6666667	1.6666666	0.11111111
8	C9 H15 O6 N1	234.09721	234.09753	-0.05908324	234.0972	10921	10021	10994	12975	21344	20917	8576	16360	22079	4252	4921	11796	48743	15762	13535	17040	17533	30920	32555	3544	3088	4635	12384	11798	7541	914	7630	5821	18816	13706	14087	15175	15385	14728	3349	15949	17995	9791	17380	1342	1803	22431	2015	1047	1680	5308	3130	1054	13835	12858	10115	9994	20340	1977	22800	12341	10497	11044	2485	3242	12552	0	29789	17163	11367	29146	20155	16970	0	1750	0	12744	13572	17596	12002	10555	1178	11035	8880	5387	8736	3157	3502	2311	18627	12377	10037	14781	19431	9354	0	0	14669	4261	3798	1480	12570	19323	12407	16190	17704	18307	12325	3757	0	12767	19636	1066	6393	29237	A-Sugar	0.6666667	1.6666666	0.11111111
10	C13 H15 O3 N1	234.11247	234.11278	-0.06640777	234.11246	130647	124218	111074	111476	64834	70103	111080	127190	65912	133802	82604	112049	47449	34395	108869	201201	163092	90758	105917	147658	175351	169086	127251	165039	87656	147747	141638	85427	101968	110932	94948	114406	167657	99672	145378	99804	164415	106649	196853	136713	197507	103023	6454	4834	5393	89513	102473	5409	141473	113314	124631	122850	84990	5092	81137	33031	59483	177170	59740	116444	180604	79659	51189	71783	58235	69250	81951	182605	113037	157611	192711	92141	88142	68444	128831	106041	4423	99269	120324	88530	118040	80635	79684	87738	48881	65419	120826	114640	103015	197446	104568	114403	243779	111765	187499	5793	116856	121415	54601	41559	37099	168076	110393	114541	40831	138806	58367	4892	109074	77251	Phytochemical	0.23076923	1.1538461	0.07692308
20	C13 H15 O3 N1	234.11247	234.1127	-0.075751744	234.11246	16518	15196	15392	12573	17237	15950	15632	16215	10708	10435	8199	13856	7773	13709	11576	22211	22569	13253	12617	8862	12937	19166	13825	24960	16126	6718	13514	14449	23415	16549	16615	19584	24312	27469	12322	13172	24221	11947	24226	15164	18993	17045	6523	5393	3975	11513	16665	6618	24043	17520	16080	15988	14106	3596	8600	4280	11476	25445	10485	16446	29336	6211	7901	10597	8134	12604	16515	30315	2860	2381	11553	17683	17979	12976	15531	17801	3779	11917	14483	22628	16555	18737	14423	8277	6819	6726	17163	21304	19416	39209	29855	18177	35332	17861	8770	5762	15222	13162	7644	6460	5902	29876	15972	19755	7665	28977	7453	6306	14952	15841	Phytochemical	0.23076923	1.1538461	0.07692308
4	C13 H15 O3 N1	234.11247	234.11285	-0.050654553	234.11246	154150	172786	149333	158711	111019	76596	104472	185701	96747	202348	125260	134589	114782	50541	111882	218037	242567	151728	181569	223120	257029	234859	121816	204757	113770	157853	111994	106981	156014	124812	153963	158188	210582	148397	250694	164427	184594	116539	258582	141699	207734	117694	4798	4285	4435	130253	145895	5483	187751	180851	162110	127894	112403	3621	160821	63819	76336	200032	44504	125241	192247	88268	112151	125470	48755	119960	95369	230362	153878	182977	271848	148978	159328	166831	167783	158567	2774	119344	137086	93430	123943	77607	83636	112690	79700	72896	138616	134906	123496	298812	114987	116909	313299	116058	173362	9128	149098	175866	77948	78100	70561	187203	132621	163326	71833	181689	74406	4233	121540	135091	Phytochemical	0.23076923	1.1538461	0.07692308
18	C13 H15 O3 N1	234.11247	234.11272	-0.064409874	234.11246	54307	54679	52128	52123	49966	44490	37818	54146	28523	47259	49337	31720	31338	38428	39924	63901	55337	58359	60980	52694	47045	62705	39729	76684	47511	16863	37469	63701	60888	48269	53958	60986	80347	61418	41133	58639	96105	31525	64520	56452	83758	49534	7382	4266	4944	42555	37813	4936	68211	44857	46023	50248	53204	3794	31905	20400	23490	81714	32490	54282	66204	37820	27238	28006	21619	45068	59280	65886	15517	15703	29100	47758	42005	36628	40358	50804	3725	33936	44475	67160	27570	39016	36093	38288	22726	29139	46778	64840	49401	75145	79661	75100	94355	50187	56568	6305	50832	56468	24909	20974	19614	75854	33138	50002	22537	70434	31644	4333	43514	43300	Phytochemical	0.23076923	1.1538461	0.07692308
8	C13 H15 O3 N1	234.11247	234.1128	-0.06040102	234.11246	183967	218241	215754	204770	127278	160871	208293	219726	97134	144129	95957	197102	104792	41496	210061	288126	455772	193549	248409	159553	194455	254558	272796	339657	132824	168900	230017	84286	234985	171908	180763	222612	270689	217855	187538	171801	279593	178146	452537	147887	189048	244885	5998	3674	4287	139199	120720	4094	269601	189976	198506	202758	185043	4171	133110	37845	108802	269119	53553	100795	309769	82997	70367	128031	85307	159018	177364	417931	130305	177194	205162	217159	172489	107795	171418	187374	3150	198698	214482	101553	194328	80945	84652	107419	53681	85429	211829	250187	264205	442679	97344	103127	402982	119847	164526	5058	206245	188115	82668	48619	54286	280978	170465	113309	45990	288455	94312	3421	169522	174020	Phytochemical	0.23076923	1.1538461	0.07692308
18	C12 H15 O2 N3	234.1237	234.12383	-0.175164	234.12366	0	2616	0	0	4114	0	0	0	0	15441	14574	0	0	5115	0	0	0	0	0	1823	0	0	0	0	0	0	0	39342	0	0	0	0	0	0	3111	0	0	0	0	0	0	2721	0	0	0	0	0	0	0	0	0	2263	2434	0	0	0	1615	0	0	0	0	0	2184	0	0	0	4546	0	0	0	0	0	0	0	0	0	0	0	0	2410	0	44061	0	0	0	0	0	0	0	0	3579	0	0	0	0	0	0	0	1934	0	0	0	0	0	17039	0	4494	0	0	0	Peptide	0.16666667	1.25	0.25
10	C12 H15 O2 N3	234.1237	234.124	-0.11660262	234.12367	13359	11890	11840	10959	5317	63216	8109	12052	2716	8676	5255	7718	1207	6172	5455	18051	18369	8366	8227	9647	12482	14347	7149	22538	8163	4015	12059	6102	9273	11128	11780	10532	28209	9722	10929	9821	41510	9718	18455	8505	10722	13005	0	0	0	7302	4259	0	17875	9994	9940	12104	11865	0	3207	0	3015	20383	4103	11776	17996	3645	2296	3333	2508	6096	14071	17920	0	5620	4884	11564	8388	5967	10384	9159	0	10562	9170	7834	9825	5053	7602	5809	1348	2889	13666	13913	13273	34964	8804	8258	32428	8384	13269	0	12520	12967	2553	0	1121	25061	8108	9818	0	16761	2374	0	12021	3260	Peptide	0.16666667	1.25	0.25
6	C12 H15 O2 N3	234.1237	234.12404	-0.08369153	234.12369	15404	16034	10447	12836	5712	5623	10434	18256	3331	18503	10615	11400	2956	2706	12946	23342	16444	6612	9537	17984	17511	17939	12827	27085	17139	6510	11927	11623	15752	12348	15428	15321	18516	16839	19060	14147	14736	12428	23715	12970	17520	8238	0	0	0	14010	13828	0	18790	17528	14161	13158	6303	0	5573	1372	3953	20423	4660	10794	20117	7517	4990	4151	5002	7619	9659	25041	5761	7499	9245	15114	12804	11450	11217	11917	0	8435	12726	9345	12182	7179	8918	13197	2647	3677	15269	10374	7744	54583	16896	12889	43474	10853	15027	0	12709	14557	2728	1148	1784	14055	10650	16778	0	19370	3088	0	15385	6281	Peptide	0.16666667	1.25	0.25
10	C10 H19 O5 N1	234.1336	234.13388	-0.09971962	234.13358	12612	17421	15256	17033	15917	14114	106522	19147	5365	1856	4162	8584	15023	185515	12746	16611	20525	16744	15170	4767	3027	4576	8691	5381	11310	99605	54677	12240	25942	20745	13648	16906	10678	22780	2271	28932	10735	8699	15822	1497	9778	22119	37719	1047	1262	3955	4154	1160	16520	15035	16485	15506	11927	5868	9931	9921	7120	13253	0	13596	15596	1254	33380	4271	116934	17279	30210	15261	0	5848	12914	15888	24406	29036	16371	21308	888	7210	4773	11225	4022	7839	463892	411793	16114	12264	13151	14962	13321	6317	0	3793	5113	2522	3843	5903	13867	21845	7755	7773	15492	15425	6984	7039	0	9969	10090	1293	6299	15021	Lipid	0.5	1.9	0.1
6	C10 H19 O5 N1	234.1336	234.13394	-0.049399357	234.13359	15542	12748	14288	13963	13350	22491	19266	17343	11576	7861	6858	8283	30715	37856	13393	17169	21419	35056	22788	8503	8987	7920	8870	10661	7958	4133	18813	5525	19000	20940	16419	17969	25476	16817	11892	21979	25133	8824	17442	1997	3245	18409	3023	562	678	10655	13950	348	30777	23589	13734	12085	12287	3521	17212	13736	9330	15956	7571	14589	16701	0	31205	9168	31199	33524	20052	18890	6201	3270	3272	15583	18454	29544	10556	19259	337	7412	7287	8088	6410	6176	21974	20841	17769	13078	13508	13079	12888	9769	4898	6133	15446	2360	8949	1071	15468	18278	9007	17228	29652	19195	9481	8997	0	10344	15283	330	6561	47711	Lipid	0.5	1.9	0.1
2	C10 H19 O5 N1	234.1336	234.13399	-0.108792394	234.13358	23833	18997	19618	17137	28779	23954	8593	23775	14597	6586	4743	14589	41812	15599	10906	20306	11454	33865	29164	6947	5978	13147	8704	23552	11590	415	7689	0	34228	31354	30494	38951	43397	39609	8396	36571	47343	9725	10779	4234	1498	16210	596	0	0	7435	3240	340	39960	20784	20167	17221	22792	415	16320	6802	6117	31690	3778	2877	20406	1166	36663	13244	6276	39061	23779	12888	0	2517	1509	39252	39465	36019	9924	30753	0	14495	4395	0	4105	2098	1937	729	8704	6464	7958	22127	24118	7920	0	15097	19334	3136	5494	0	17454	17559	9978	11252	11308	32769	11519	13985	2647	23427	9096	0	5098	51106	Lipid	0.5	1.9	0.1
14	C10 H19 O5 N1	234.1336	234.13387	-0.040707104	234.13359	0	0	1638	0	1725	7385	8155	3737	6872	0	0	0	4492	11353	27046	4620	4199	6502	5073	0	0	0	5306	2971	7837	0	3305	0	17123	11020	56364	0	9956	6245	0	7036	4969	12237	2224	0	0	5629	0	1557	1082	0	0	1685	6780	3408	2343	0	2709	1599	5772	5331	2602	3262	0	0	0	0	2303	1395	7680	3023	8045	0	0	0	0	5161	3005	12567	2032	3348	1307	5124	2707	0	1382	0	1069	0	4469	7269	4923	2524	3950	0	0	0	0	0	0	1634	0	4626	4266	5737	7279	10194	4800	0	0	3424	3563	1572	2128	2163	Lipid	0.5	1.9	0.1
8	C10 H19 O5 N1	234.1336	234.13394	-0.06250513	234.13359	20354	19398	19445	18853	19705	14496	66731	18584	50242	2728	17324	12432	27058	38411	43215	30349	24609	26203	27724	7479	2411	5137	30422	12339	35031	19595	56161	16270	27262	22939	16626	47459	15630	55119	2542	44889	19354	38476	22387	0	14286	22144	5455	549	975	5645	8485	863	18387	20542	17469	17896	16164	2888	46053	20575	48239	16072	3907	13388	17836	1511	24708	11491	170949	29528	24287	20251	46856	3147	8786	13589	18759	25194	26216	18329	697	14403	16015	12752	15656	13069	85701	93318	32279	123815	41440	123959	18083	11499	0	12250	26523	3864	2669	1325	15244	24715	102733	25545	41800	24832	21947	6484	7632	10761	43888	850	16872	19538	Lipid	0.5	1.9	0.1
20	C14 H19 O2 N1	234.14885	234.1491	-0.045164727	234.14885	16845	8653	12847	6117	12384	7952	7812	8650	2107	12716	16679	8018	4622	5477	5818	12735	17345	7885	4967	16010	23177	13691	4252	11561	7360	24390	4844	18521	9835	10387	7341	11876	12810	12692	12708	14461	13692	6505	17462	16135	24741	7143	1289	1092	554	10830	16886	784	13128	9527	9484	8107	11433	1160	0	2633	4779	14871	7653	17418	8816	10242	2301	1379	3137	7483	6318	18025	18084	13360	32408	11049	9420	6650	18873	8528	1006	6170	4462	19626	6202	10207	11534	12198	5573	4517	9177	11110	6992	22059	22627	20039	22798	15645	13878	789	14325	12159	4178	3710	5797	14989	4365	12848	7967	10651	6267	761	7679	2913	Lipid	0.14285715	1.3571428	0.071428575
10	C14 H19 O2 N1	234.14885	234.14914	-0.099026464	234.14883	62095	56639	57990	51923	29478	21723	43554	91257	20776	63728	34577	47894	17791	17670	41439	118754	85018	33424	49398	76939	73737	75257	52172	114030	49268	47865	51088	33847	70645	73178	53203	79130	100520	74314	65976	74927	95535	44521	106045	45268	56947	30194	942	894	641	39006	31833	712	87046	72366	63416	56672	28019	688	34359	10601	13991	118086	6095	21811	104621	16397	27187	22027	13763	31355	32905	99867	30418	45113	66635	80247	73403	59915	84465	74658	709	42372	58147	36749	44570	16616	9907	29054	15063	12209	82625	34580	37099	210179	75205	31694	162496	33651	72303	1020	56621	57612	15113	9072	12485	90181	41236	32692	0	88290	12542	847	60886	44308	Lipid	0.14285715	1.3571428	0.071428575
16	C14 H19 O2 N1	234.14885	234.14912	-0.07627318	234.14883	37303	44685	43593	40082	22153	11464	20142	17555	8589	118447	78682	16511	3410	11364	11625	37070	50783	22138	13815	134742	141993	72195	10915	24001	20908	95088	20897	80576	32275	26906	22560	27644	42312	26975	116204	31625	38340	12101	64657	88325	153545	14158	15686	778	782	49566	98350	1115	48784	23390	38857	45950	18458	1181	6633	5958	8556	39331	22166	63906	26572	54222	6872	6967	6848	13651	19114	50692	70856	78445	118896	19463	29926	36173	42077	36691	697	14243	17657	83004	9393	48056	43995	74580	8507	5839	33016	23676	14098	63700	75753	71794	35097	92935	119108	841	37605	36204	10701	6007	8732	38867	15485	39095	31158	30858	10973	631	19270	9963	Lipid	0.14285715	1.3571428	0.071428575
6	C14 H19 O2 N1	234.14885	234.1492	-0.089127354	234.14883	127370	142120	116065	129227	39970	45651	78844	186515	28460	323677	155008	147635	22585	29089	236176	210108	109848	59055	78650	345900	381669	105480	61497	120158	84662	69928	77680	145306	147790	121229	516738	156890	174784	147823	313358	121241	167229	134303	153990	107278	82289	50370	1413	540	423	73654	77067	597	221017	151171	140394	127561	50195	828	44674	11165	22747	211329	2712	26344	209024	52235	27853	28758	23280	43859	62110	164372	50592	97088	107071	172404	116829	127276	111152	126057	602	234793	64392	79670	51725	16131	16997	108877	18188	21213	68852	66108	67737	215524	137524	32699	198691	90151	183639	681	118891	115190	17755	10691	14888	150694	209746	87333	35122	144375	21588	682	69603	35708	Lipid	0.14285715	1.3571428	0.071428575
18	C14 H19 O2 N1	234.14885	234.14911	-0.025764992	234.14885	30002	31104	33942	33198	68384	31077	15729	21737	7817	50508	44602	17290	5047	10937	9652	32310	41716	52432	23673	48012	56888	48137	10386	18081	29963	50217	21969	43085	23987	21944	24000	24497	31284	26027	36026	29165	30056	11093	41322	45383	70643	14238	13608	648	664	25416	56118	1176	31033	20005	34415	33149	35910	1231	7333	3195	8035	33377	16861	49352	22217	28151	11894	7969	6887	10225	12361	53716	39850	49335	80361	17268	22094	25330	37625	28747	748	13511	44567	44609	25074	34694	24637	30039	26520	10476	102892	19397	15109	70546	58501	49526	96224	48222	56322	1048	27580	25641	10634	3795	6622	33310	16046	30303	23266	32427	17218	893	29850	13761	Lipid	0.14285715	1.3571428	0.071428575
14	C14 H19 O2 N1	234.14885	234.14914	-0.07742723	234.14883	36560	38221	40598	39470	18036	9365	17840	17167	9221	94036	57803	15223	6537	10947	7477	20615	31709	8760	12392	118523	122580	55579	6752	13629	13108	101126	19553	61187	12142	19978	17837	22649	20120	19613	99880	17601	23322	9830	29784	96247	149638	10379	0	707	493	38705	69833	821	26534	10847	36722	34237	10531	684	7602	4695	9932	25078	10503	43869	0	49115	10738	6390	6145	10674	13009	37201	57301	94269	155370	18650	17672	13930	22634	19462	557	13694	27553	38942	10814	37221	27591	78406	9371	5721	178005	17478	14758	80865	58380	63195	38439	54612	81077	735	35399	30331	6164	7915	8889	18926	10730	31887	17343	24495	7416	590	24042	6295	Lipid	0.14285715	1.3571428	0.071428575
12	C14 H19 O2 N1	234.14885	234.14915	-0.033201296	234.14885	22871	29854	24068	24425	7990	5261	8358	17387	5417	39877	20548	12042	5941	5610	12161	32529	26101	12040	12292	51792	44535	25943	12499	20069	15639	42641	16181	18358	17106	20133	16690	23081	18178	18303	46853	17152	23311	12544	29042	46064	64903	10715	847	668	695	35814	39095	786	28396	18497	28033	21266	11028	604	6279	2576	5866	21683	0	13306	27834	19415	3458	5796	4069	10148	9867	38051	31429	41908	63377	18449	13614	16888	36197	15633	522	9236	16954	18764	14314	13043	10975	29721	5467	3714	45018	10464	10312	58153	38554	22676	41017	24080	52390	557	22327	22576	5552	4383	3527	22614	9277	17917	0	21461	5613	717	13170	7475	Lipid	0.14285715	1.3571428	0.071428575
4	C14 H19 O2 N1	234.14885	234.14923	-0.054176513	234.14885	226950	246543	225219	225558	104545	107256	174923	247092	61598	373747	167370	137909	81818	50494	102631	416077	277783	148092	222292	343551	382478	262482	118471	410687	155283	75548	178875	203493	244256	188391	216143	339811	406627	297237	485424	275485	366195	117807	287901	152046	122815	126209	1818	780	703	143542	104250	1014	340948	190954	237133	217819	110148	1023	101981	19882	51524	490811	4612	15670	399486	74490	77613	85313	48234	119886	139027	364632	54450	116216	133671	226597	251875	253316	325002	229185	416	142777	179881	106272	133837	21228	30614	207312	47146	54148	219092	171724	203900	491398	289281	87100	512238	145403	262282	1859	219774	233525	35367	33461	37860	326182	135439	156107	42930	309998	31785	982	182637	94329	Lipid	0.14285715	1.3571428	0.071428575
8	C13 H19 O1 N3	234.1601	234.16019	-0.12745354	234.16006	0	1749	0	1692	0	0	0	0	0	1045	0	0	0	0	0	0	0	0	0	1453	2421	4362	0	1092	0	0	0	0	914	0	0	1445	0	0	2594	0	950	0	0	0	0	0	0	0	0	0	0	0	0	0	986	1694	0	0	0	0	0	3055	0	0	0	0	0	0	0	0	0	1892	0	0	0	0	0	0	0	0	0	0	0	0	752	0	0	0	0	0	982	0	685	21930	0	0	0	0	1738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.07692308	1.4615384	0.23076923
4	C11 H23 O4 N1	234.16998	234.1704	-0.14817333	234.16995	668	0	520	0	4423	1788	0	0	753	0	0	0	1879	34153	461	0	0	1194	918	0	0	0	0	1369	413	0	0	0	0	0	0	0	453	0	0	0	918	0	0	0	0	981	0	0	0	0	0	0	0	0	499	929	1745	0	268	1182	480	733	0	0	0	0	1295	262	0	917	2403	0	0	0	0	0	565	630	0	0	0	279	0	4678	0	0	0	0	0	391	509	0	630	558	0	634	0	913	0	0	649	882	825	702	707	421	0	0	0	459	1178	0	385	1471	Lipid	0.36363637	2.090909	0.09090909
2	C11 H23 O4 N1	234.16998	234.17033	-0.17849135	234.16994	19881	23018	20606	17483	10411	13983	1662	42116	16682	3678	1755	2403	14947	29229	5057	106318	2386	25420	117088	2917	1901	7085	6208	25086	4261	350	2933	3797	37342	30780	50866	46758	12326	41709	4361	60698	17549	3051	2870	1101	0	47314	452	0	0	4619	550	0	42814	44511	19680	23565	10356	0	7827	101803	18095	65987	758	209	92856	285	7219	9763	13026	13228	61406	4349	0	3149	0	33317	44820	50397	13242	33596	0	5173	2230	7216	2023	0	440	736	5270	3649	4102	19076	51366	3382	11415	8448	22133	1167	4436	0	22219	22706	22714	17225	15191	9997	2347	2340	4245	25339	11997	0	1804	16614	Lipid	0.36363637	2.090909	0.09090909
2	C15 H23 O1 N1	234.18524	234.18562	-0.15187216	234.18521	14631	16900	14512	15453	408	0	10035	51266	0	16195	7592	12677	0	0	10695	64424	20090	1380	1924	26070	18904	10161	8202	39226	16684	5629	17312	5416	31433	40458	32126	37943	19899	29773	15407	39777	26524	9410	22493	19870	5669	0	0	0	0	8829	10371	0	53765	54298	16421	14356	1116	0	581	0	1212	36017	0	0	44713	7395	0	814	0	725	2360	23893	3439	5882	5109	39803	34467	47614	34428	30284	0	15166	9382	9796	8925	0	1337	13543	0	1501	7455	4055	5343	28392	30963	2891	48953	10144	35585	0	15305	16805	0	0	0	27075	11133	24512	4983	26997	238	0	9697	0	Lipid	0.06666667	1.5333333	0.06666667
22	C15 H23 O1 N1	234.18524	234.18547	-0.06913499	234.18523	0	1584	2188	2841	0	0	1058	0	0	0	0	0	0	0	0	2531	0	0	0	2075	0	3890	0	1395	1480	15403	0	0	0	0	0	0	0	1378	0	0	0	0	0	4921	5078	0	0	0	0	17379	35012	0	0	0	1807	2108	0	0	0	0	0	2450	0	3458	2579	4573	1807	0	0	0	0	1336	13800	9844	12455	0	1592	0	1871	2264	0	0	1799	5291	0	12749	1251	4844	0	0	2615	0	0	18473	8852	8214	14121	1898	3306	0	1536	1602	0	0	0	0	0	3767	14787	2489	0	0	0	0	Lipid	0.06666667	1.5333333	0.06666667
6	C15 H23 O1 N1	234.18524	234.18558	-0.103741676	234.18521	35115	38242	31193	37039	3017	6513	25146	26802	1901	35449	19431	17621	8246	27955	14595	36983	19208	5959	9869	39976	44400	16119	25227	47199	21741	20680	32490	18873	21990	30341	29626	49244	52698	28089	41081	25202	46020	21909	34173	21798	1693	7451	0	0	0	24644	23483	0	47126	22575	35876	36187	5136	0	0	4779	6166	60980	0	0	51655	10054	1724	1791	4656	5168	11422	61201	13825	23135	27272	43213	44140	25676	61841	59795	0	17857	45018	26322	68866	513	0	26272	1871	2771	41796	10558	14497	92274	126691	2107	87981	29746	75798	0	30964	23987	1736	479	1354	50858	35183	10679	6659	43995	0	0	29626	2106	Lipid	0.06666667	1.5333333	0.06666667
8	C15 H23 O1 N1	234.18524	234.18558	-0.061727583	234.18523	12320	13949	13909	13136	5077	2948	3003	14594	961	19965	13418	3972	32512	98465	4342	35512	6121	2163	4548	26489	32987	13604	4085	16541	8668	29113	5118	11123	7970	12581	12795	7406	5631	7654	32515	5115	6690	6661	6080	16495	2259	2497	0	0	0	13876	24579	0	12791	11730	12773	13343	3308	0	1806	7308	3044	21672	0	0	22440	6418	2299	1169	0	7188	5247	14360	23308	33657	38131	9580	7611	12715	10490	10344	0	5600	8105	17870	6962	563	0	43694	848	0	9263	4185	4336	73680	63222	0	72805	22860	57033	0	11037	12735	1604	2195	3598	6516	3989	5439	6463	24283	0	0	6491	1099	Lipid	0.06666667	1.5333333	0.06666667
10	C15 H23 O1 N1	234.18524	234.18549	-0.07902433	234.18523	2777	4248	2998	2018	1528	0	0	0	0	6302	4697	1550	0	1215	0	5572	0	0	3812	7589	5580	2063	1233	2493	3460	5373	1467	7501	1889	1431	2111	1955	1853	1567	7369	2049	2308	694	0	4771	0	946	0	0	0	3984	4204	0	1939	1401	2297	2895	659	0	0	1216	583	7169	0	0	0	0	0	0	0	0	952	3060	0	6548	5508	2016	2278	1542	2002	1304	0	1874	0	0	1205	0	0	2375	0	0	2474	1196	1754	24342	21974	0	18430	6263	14549	0	1873	2020	0	0	0	0	964	0	0	6021	0	0	1647	0	Lipid	0.06666667	1.5333333	0.06666667
4	C15 H23 O1 N1	234.18524	234.18562	-0.12880902	234.18521	38403	40478	45467	42279	2635	5512	37963	128232	830	45351	21522	68659	1279	1397	63411	121694	73826	5528	10003	53972	51699	27160	47283	107576	76302	16242	51657	23045	83452	84343	86653	78578	74013	78700	58143	88415	77182	47379	60130	37670	5185	11720	0	0	0	22942	21309	0	101934	114877	47055	32080	7783	0	2173	521	5196	77652	0	0	93192	14774	1028	3327	10233	5731	15925	78424	10638	17125	16203	97015	77782	135688	71549	67724	0	68990	38254	18306	32002	1073	1458	31224	592	12709	35378	20067	19615	189205	65645	1872	244140	25191	61809	0	41408	43759	1343	0	377	59449	36164	28167	10528	88604	544	0	51892	1843	Lipid	0.06666667	1.5333333	0.06666667
24	C15 H23 O1 N1	234.18524	234.18547	-0.005158458	234.18524	9410	11262	10365	8938	2382	1885	1697	3338	0	7068	13143	3043	0	3832	2377	6209	4459	0	3020	7946	14628	25471	0	2827	1480	76258	1631	12517	0	2999	1467	2281	2397	2739	5190	2783	1694	1551	2719	46995	49915	2695	0	0	0	54374	88121	0	2522	1693	10998	7793	1573	0	0	3687	5963	4109	4034	50364	4271	28724	1322	0	18419	1869	6599	4324	59112	43190	60934	2204	2436	5842	1318	2855	0	2769	1124	59711	0	41435	8725	41627	11148	0	3996	2342	2513	11442	47363	39189	4757	74938	65301	0	10543	5638	6616	0	5767	1338	1812	41301	44067	2969	14311	0	2317	0	Lipid	0.06666667	1.5333333	0.06666667
12	C11 H6 O6	235.02371	235.024	-0.015818564	235.02371	8672	8982	4869	9912	18840	18747	3671	4377	17142	0	10778	11857	22982	18265	10460	14691	4616	23760	38681	2588	0	5296	13789	6864	2329	0	5941	0	5993	6034	13556	9141	7229	8933	3632	7578	4333	6975	6364	0	0	18997	775	582	758	2534	0	828	8986	4927	8561	10612	18444	709	13215	8535	14437	15581	0	0	17094	0	35480	14743	13228	34957	14207	5995	0	0	0	5197	6403	6416	6693	8225	385	7978	9202	0	11205	1229	0	0	20539	9958	10891	17999	22548	8786	3772	2570	4641	3258	1698	849	7544	8396	10112	13402	16230	10857	7549	0	0	9902	8485	635	2399	32291	Phytochemical	0.54545456	0.54545456	0.0
14	C11 H6 O6	235.02371	235.024	-0.018923892	235.02371	3330	3587	4200	3802	13121	10615	0	1467	10597	0	4564	4708	19333	8760	2109	5447	1992	15758	13889	0	0	0	7064	0	0	0	2571	0	2840	1886	2643	0	5918	1617	0	0	3893	4683	1974	0	0	7358	0	618	788	0	0	1108	2576	1780	2840	5316	9831	386	8656	7094	8418	8070	0	0	0	0	20965	10197	7110	21104	6795	4377	0	0	0	2586	2631	0	2084	4061	503	3276	6174	0	6041	1170	0	0	9362	6166	7214	11225	11601	0	0	3258	5890	3814	0	1033	7400	3952	7413	10648	10042	2786	4461	0	0	4562	5251	443	2884	21158	Phytochemical	0.54545456	0.54545456	0.0
10	C11 H6 O6	235.02371	235.02402	0.02440408	235.02373	4221	2483	4123	2404	12888	9513	1590	0	12631	0	3503	4966	17592	9265	3164	3305	1012	16031	18631	1890	0	2174	9807	0	1360	0	3830	0	1853	1719	3088	1193	2770	1545	0	2457	2605	4243	0	0	0	6502	0	0	810	0	0	1091	2186	1107	2999	5061	8683	406	8688	9373	6842	3615	0	0	0	0	23284	11753	10039	19243	8351	1582	0	0	0	1673	1588	0	2772	1586	0	3234	3265	0	3406	0	0	0	10062	6881	4638	7398	12151	2385	0	1698	2834	2896	0	825	3557	3677	10808	11223	10474	2397	4608	0	0	5460	4882	0	1310	20276	Phytochemical	0.54545456	0.54545456	0.0
12	C10 H6 O5 N2	235.03494	235.0352	-0.055659086	235.03493	3870	7188	5643	7616	1731	2296	9785	18127	1933	0	0	11895	0	862	7000	21310	7367	7172	7921	0	0	12339	7936	20528	5116	0	2141	0	15888	10325	14832	13894	23606	14033	0	11438	12818	7361	11652	0	0	9888	0	0	0	0	0	0	13005	11884	6126	4747	7726	0	0	0	4100	17545	0	0	18952	0	5258	2960	3314	4083	9970	7970	0	0	0	12411	13952	7599	19535	12704	0	10468	7337	0	6242	0	0	0	0	2799	4905	11784	11394	24736	0	0	40441	0	0	0	4751	7404	0	0	0	19133	9784	0	0	35346	0	0	6562	3481	Unclassified	0.5	0.6	0.2
8	C12 H10 O5	235.0601	235.06044	-0.028788727	235.06009	90539	103016	61603	100092	199873	104763	42335	51966	214030	73212	80481	50753	279622	101922	59744	70194	73267	220801	248913	69566	86440	88953	74337	46919	34223	18731	48219	49202	56886	50626	50629	58206	86382	52607	108084	51096	76181	59197	81416	57357	82849	97434	14928	10686	22274	50689	60312	17542	55983	39923	81293	96793	139414	13065	215236	173287	100225	65577	45696	53905	62043	46522	277687	204489	81063	216716	95617	81715	48208	35065	42398	43732	55546	38172	54282	65764	13471	48494	79157	45154	71779	43707	36931	28540	206807	96143	77586	108687	132480	135340	45444	54713	57418	76340	60582	20242	94141	94001	173971	263885	255665	91421	60895	57926	32069	52465	183803	11350	43810	287559	Phytochemical	0.41666666	0.8333333	0.0
18	C12 H10 O5	235.0601	235.06035	-0.06683439	235.06009	65717	71260	54346	64357	97832	86770	55937	55551	90939	47764	45662	41951	142328	106594	62994	63175	46139	153587	143371	46275	35743	57785	71111	59237	55117	23424	45644	41029	62705	56712	51120	57462	81899	53401	56621	50356	82928	51653	52215	36080	35727	63643	14828	11355	21156	44512	32075	19741	53686	36283	59812	63274	88859	13046	111029	71750	66252	72123	29256	20726	74528	32383	133619	86945	57346	135203	86841	56334	27263	35619	36107	43976	40713	43747	40859	54087	15049	47970	77702	49115	70580	38855	24520	28043	96943	75537	84331	78450	88882	57978	52758	51528	59400	38375	45274	22205	73474	71291	87759	90181	94520	72267	51252	39435	24111	54016	58912	14069	49547	135245	Phytochemical	0.41666666	0.8333333	0.0
10	C12 H10 O5	235.0601	235.06041	-0.02586335	235.06009	155166	142615	122676	122317	281124	172570	83305	89470	307160	114314	103912	87455	393051	175797	88583	114962	107741	448948	410960	105226	110475	128796	119165	84971	63756	22347	85529	66916	102577	79347	76235	111140	176201	90035	150349	88785	151931	90193	122532	79989	91133	145779	23438	15342	25893	70673	60383	23377	106696	72069	148881	140781	227610	36628	326967	218898	113995	149361	67435	60650	131305	54902	344624	300720	108224	326031	151333	121973	51833	50783	58457	73925	84464	74723	120345	90669	16156	73252	131008	81367	114998	64045	48458	29468	286833	161590	163112	169942	201404	114710	81750	86589	93453	98695	94473	39124	129741	143794	231825	284166	274109	142563	93909	81339	47509	86975	216265	18492	73646	445508	Phytochemical	0.41666666	0.8333333	0.0
14	C12 H10 O5	235.0601	235.0604	-0.039702356	235.06009	170022	183964	146487	174511	326284	234290	124689	122249	312175	105138	107284	110219	464529	254493	150295	154507	137013	511755	424018	112448	98527	160991	158928	124217	134881	30622	116674	95617	113319	104319	118867	127978	198433	115775	147257	110275	184918	125697	127462	86136	74727	184567	24007	15604	19555	84346	67951	23741	119930	89101	164252	163840	260704	17945	371548	203341	173171	205978	77194	59331	149281	50140	439707	300365	144315	395152	210736	129423	45743	60084	66377	92090	104270	99502	102032	118109	15946	114382	189970	127674	163523	76471	71219	43625	261916	171655	219960	198745	265665	214703	123028	114301	173315	91672	102990	30115	169685	161872	209401	261022	263221	164923	117972	73886	59191	147109	185861	18210	128519	414020	Phytochemical	0.41666666	0.8333333	0.0
16	C12 H10 O5	235.0601	235.06038	-0.05760447	235.06009	119725	135520	98261	119867	199913	155726	98888	88585	200645	71275	65997	72942	279572	177232	106935	104974	102874	317726	294254	78009	62122	112736	141421	101488	94552	28035	80994	65949	103401	84898	99648	105238	148295	97050	108110	105848	150411	102416	119525	59585	52604	121428	20903	15899	25594	62217	54022	24229	108596	76136	113910	118680	172021	17316	188219	130735	116817	151271	51161	42103	125674	38746	256506	168421	96543	291589	151643	104832	40936	56220	43187	87444	92951	83241	82085	105210	19950	78204	146660	102460	108398	62993	41922	32801	188042	119875	166814	152615	171188	115659	90722	90274	127888	68399	86771	26966	116157	123486	136257	171545	188373	145137	81928	53530	39309	98728	128974	16696	98138	267302	Phytochemical	0.41666666	0.8333333	0.0
6	C12 H10 O5	235.0601	235.06047	9.17486E-4	235.0601	46422	60027	34090	51351	91341	46227	29209	28770	116564	33886	41949	28027	134324	61010	28910	37051	31267	116016	118099	37849	46753	45983	40045	32124	20311	15500	21530	21900	32134	29467	30425	33765	48756	27328	56204	30134	43873	30503	43472	26326	38598	52492	12737	10878	18755	36134	32477	15433	29065	26351	46455	52531	72904	13580	106056	111680	53685	39261	24025	29848	39910	22346	135881	86818	39068	105014	49236	47106	29997	19571	31628	24933	27233	24863	22235	38459	13364	24420	35358	18544	36953	31224	22653	15413	97683	55284	37259	55359	71278	35584	22368	27078	31199	30402	34049	19480	47517	44527	83522	128590	140922	47709	36818	32977	29274	32750	87655	12264	22064	147684	Phytochemical	0.41666666	0.8333333	0.0
16	C11 H10 O4 N2	235.07133	235.0716	0.005328687	235.07133	7811	3710	5269	3875	8453	5281	7637	5316	4070	1851	1666	4645	4964	3455	3991	7156	15767	7567	5688	0	0	5446	6963	9029	6097	0	6268	2780	4283	2620	5687	6088	6117	6865	3477	2693	6803	4307	12539	4425	6833	5734	1004	1255	1593	2447	0	1988	4977	4266	7087	4180	9897	1706	3092	3383	4027	9761	1489	6783	6458	1334	3684	5455	3600	5812	7862	16107	3258	1745	0	2814	3736	2379	6751	5734	1251	3757	12540	5025	9635	3148	1569	1480	2772	5029	13358	13123	6194	36171	5730	3648	0	1435	3255	1656	7024	4195	3824	2294	3884	6034	7159	1681	0	0	3832	1194	9042	9741	Peptide	0.36363637	0.90909094	0.18181819
4	C11 H10 O4 N2	235.07133	235.07172	-0.0459924	235.07132	26647	32021	26219	28421	37791	24312	15302	30135	37353	11442	14640	23492	41794	17059	25972	41562	64627	48642	48897	9588	14248	34716	37441	43200	23861	3116	17355	5857	18897	17675	22120	17163	37928	19509	13174	20706	35328	24644	68424	10944	14169	40478	1396	912	1185	17442	13319	1418	21809	22960	28509	25635	38091	1528	38690	32613	25073	32984	7178	15965	44146	7462	48461	37354	23337	37771	28714	61016	4724	5141	7549	15900	16177	12701	21155	17859	641	19083	36412	7979	30811	9861	6623	4070	39206	29003	31869	53612	35100	93215	7477	10719	83449	9795	8542	3102	23887	29218	28768	51364	49195	43285	25672	13033	8453	54756	31351	1181	26477	55542	Peptide	0.36363637	0.90909094	0.18181819
6	C11 H10 O4 N2	235.07133	235.0717	-0.007067635	235.07133	41888	45279	33950	42353	82213	32587	25199	30763	78506	25395	25891	26832	83967	24325	29608	37758	46226	82719	94866	19521	28520	72091	31687	44422	21270	4347	22155	12635	25802	20995	30085	25946	48244	25175	31262	19739	45705	29456	58912	21552	39745	36035	1740	810	1161	20389	23988	1141	36433	25609	39432	39594	60079	1358	77227	45230	32503	42633	14656	26836	36097	18314	90949	55498	28669	76332	41433	61168	9024	14534	16523	21120	20534	13821	20512	20672	723	18795	50762	12267	30125	14309	13140	9071	64447	38053	52749	62291	53048	122888	15314	22086	150373	20606	21538	1398	39192	36525	39486	59344	69105	41575	26618	26149	12008	58855	54237	892	34940	115747	Peptide	0.36363637	0.90909094	0.18181819
14	C11 H10 O4 N2	235.07133	235.07162	-0.03103639	235.07132	11272	20417	13680	14766	16425	15377	16077	18463	8327	8830	4912	15282	9387	8470	13614	23346	30083	21088	16213	3192	4701	15950	19295	20179	18198	0	16449	0	12680	15056	15642	16565	27389	18956	8409	15986	25484	12961	40007	6260	19194	15619	0	1253	1165	9506	6104	1502	20848	12996	14114	10406	16359	1394	10160	7338	11309	24802	0	8671	18266	5022	10585	11481	7726	19865	20005	34291	0	2404	2923	15222	13402	6053	18555	16231	1002	13597	27614	0	19752	5811	7948	2151	8203	9706	31256	27795	24104	59048	14392	15329	50730	6134	7450	2102	16130	17827	7618	9170	7661	19878	13431	11537	0	30332	5702	1283	21252	18497	Peptide	0.36363637	0.90909094	0.18181819
12	C11 H10 O4 N2	235.07133	235.07164	-0.020105569	235.07133	43982	49720	45719	48836	38727	33158	63167	47747	23364	15130	18216	40554	26006	23415	29788	84563	103882	51327	60695	14567	13109	54245	46351	96495	39194	1836	53951	0	52303	53570	47465	62471	97535	67887	26003	40767	104887	36305	121440	14162	19021	62126	1817	1534	1518	23951	9904	1532	79985	43589	53162	49009	45307	2027	28519	12362	27458	91477	10894	17778	68697	6518	33669	30106	22166	40606	46832	122807	0	7891	9166	52009	43106	24680	70750	42799	1001	38609	68221	15830	51533	10370	11667	6057	22299	26448	77028	76741	55073	166075	23841	26351	104669	15581	11697	2345	47301	51971	23549	19788	16195	106383	39238	16779	0	88183	18929	1334	52117	47784	Peptide	0.36363637	0.90909094	0.18181819
2	C11 H10 O4 N2	235.07133	235.07173	-0.004499689	235.07133	7780	8428	6274	6534	20767	0	5744	7183	17663	3722	5829	6445	21522	8942	6955	4121	12660	22248	20836	3133	6199	10608	7865	7484	4366	1019	2339	3027	6955	4210	8406	6211	16526	6738	7344	6372	11409	6699	15693	3558	4961	12829	867	716	1065	4085	3539	1093	6525	3801	7534	7302	18398	853	17670	10827	8744	10134	2614	4782	4724	1865	27139	19096	9648	21989	15896	14613	1670	2574	1886	5073	5712	4103	3355	6591	638	5258	9223	2969	8314	3013	3047	1516	14779	9029	7340	23749	17590	14284	3061	3852	16343	3859	2023	2183	6456	7403	13422	16229	14714	8740	7723	4237	3064	10583	10659	796	6344	30224	Peptide	0.36363637	0.90909094	0.18181819
10	C11 H10 O4 N2	235.07133	235.07164	-0.007764641	235.07133	55714	50674	53620	52893	64940	50499	35454	43065	53690	28606	28269	35412	64189	31228	36606	81259	87028	96271	106741	17423	27822	72648	53098	74773	36492	3854	48901	18235	40409	27813	35266	41963	93112	39129	28532	36709	89738	36576	104293	21516	33581	50783	2312	1491	1700	20620	19845	1527	55915	30627	53700	56424	71676	2404	61400	27673	34473	86145	18277	26465	72574	14354	72516	60017	32301	93148	52311	113379	8312	10501	13324	40293	31260	21255	51643	30345	999	31445	95979	24091	69993	18863	17870	7625	55365	38007	92478	92347	59963	192373	24995	29701	138519	24713	34977	1889	56148	43187	33456	39620	47813	69994	35256	26327	0	78828	35536	1373	51314	92999	Peptide	0.36363637	0.90909094	0.18181819
8	C11 H10 O4 N2	235.07133	235.07167	-0.041997213	235.07132	51186	63037	46964	60345	78039	43379	35963	45223	68183	32529	28742	45355	76537	29444	47359	87928	83909	76497	100492	23651	30072	69086	59641	72873	31961	5011	42090	16556	43228	36157	39474	48968	78462	41284	36913	32135	73352	47729	108198	25705	45324	52170	2038	914	1457	30111	26746	1225	57378	39975	52072	60050	64738	1246	83295	41017	42661	65183	22449	34770	69465	21036	83106	85132	39753	79281	52541	102845	10059	13968	18464	39751	31917	18540	41755	37021	891	35272	77646	18897	54773	22282	18672	11354	57577	36373	72310	81946	60714	185405	21889	37914	150793	21077	30476	1488	61758	52392	48259	62369	57215	62176	41905	36825	10409	77245	43910	861	50717	113546	Peptide	0.36363637	0.90909094	0.18181819
20	C13 H14 O2 S1	235.07872	235.07896	0.05237873	235.07874	3738	2493	0	3031	2924	2603	0	0	2208	13117	8189	0	2459	0	1553	0	0	2595	1931	15892	10040	9550	0	1915	1676	2600	1457	12060	0	0	0	0	2320	0	9219	0	2326	1008	1842	8141	10890	2284	0	0	0	5856	9336	0	0	0	2649	3831	3191	0	0	1371	1081	2013	2588	5918	0	4565	0	0	1960	3127	0	1550	0	2750	0	0	0	0	2208	0	0	0	0	18083	1248	4405	4582	0	2926	1771	2272	2061	1401	3994	22808	18137	0	16992	24367	0	3105	2212	0	1669	1443	0	0	5245	6132	1520	1362	0	2431	1535	Organosulfur	0.15384616	1.0769231	0.0
0	C8 H14 O6 N2	235.09247	235.09286	-0.035274826	235.09245	2874	2478	2522	3018	11236	54954	0	9480	2536	0	0	2755	17796	20764	0	0	2673	16703	10869	0	3597	4977	4974	5391	4857	0	0	1327	40063	0	21184	6703	50455	11228	10249	5619	6867	2563	3800	0	0	6992	0	0	0	1710	0	0	7324	0	3074	2398	12554	1199	4214	1509	0	13917	550	0	0	0	29727	3339	2441	14922	41628	2911	0	4271	0	6414	8992	4189	0	7371	0	3997	2600	3782	2742	0	0	0	2102	0	4658	7554	14364	2799	16668	4937	5156	0	0	0	0	3234	1538	1367	1730	5632	2956	0	0	12409	1995	0	1844	36816	Peptide	0.75	1.75	0.25
6	C11 H15 O4 Na1	235.09409	235.0943	0.18321787	235.09412	0	0	759	882	1265	0	994	0	0	0	0	803	0	1126	563	1187	999	0	0	0	0	0	0	0	0	0	1057	0	0	962	0	1099	0	911	0	0	771	0	0	0	0	688	0	0	0	0	0	0	0	0	907	819	1080	0	0	0	383	1034	923	804	0	0	0	0	562	0	1767	0	0	0	0	593	0	0	51793	1071	0	531	0	0	472	693	1204	0	0	0	1691	779	1371	0	0	0	0	0	0	0	920	0	811	1206	0	880	0	0	0	895	1007	0	841	0	Lipid	0.36363637	1.3636364	0.0
10	C11 H15 O4 Na1	235.09409	235.09442	0.2856725	235.09415	3057965	2780766	2534263	2556497	3399845	2254227	2165156	2448394	3445820	3048028	2128467	1903820	3889864	1971202	2047024	2958096	5548327	4640628	4464030	3973748	3904624	2845820	2214940	2202808	1672074	2595032	2219402	1926456	2701479	2502755	2088600	2733327	7524752	2303720	3717168	2572852	6578006	1875365	6396935	2861704	3076076	2428933	366391	277332	353380	2096984	2037200	347240	2739939	1964441	2969852	2941216	2832978	272108	4395256	2998064	1765527	3514589	1881980	2148789	3034680	1701000	3335995	3401554	1565050	3618422	2359316	6093691	2474728	3019596	3172452	1951354	2222794	2174471	2747806	2537065	279936	1607175	5289853	1800468	4415680	2008932	2275127	1931665	3706316	2337242	5863581	4675870	5348190	5325014	2426588	2489284	2510684	2197730	2877440	370868	2749419	2910630	3049636	3547820	3856700	3100140	2003834	2734432	1417528	2057610	3109310	297244	3394324	4093980	Lipid	0.36363637	1.3636364	0.0
16	C11 H15 O4 Na1	235.09409	235.09435	0.5252347	235.09421	1465808	1633022	1415904	1462102	2182336	1681553	1249680	1324714	2033140	1517054	1023360	952232	2717678	1583837	1293618	1422344	1264582	3164448	2986582	1920842	1557186	1343840	1310098	1229342	1170354	710150	1137098	947696	1578486	1310150	2817682	1649398	2114204	2834989	1933830	1511698	2256636	1112936	1440716	1364833	965106	1451131	188891	147293	176583	997388	830534	178768	3581890	1136428	1547104	1577084	1921828	140523	2317868	1670416	1274365	1829204	1070130	815160	1370082	781358	2220998	1881724	951123	2501994	1738850	1178064	652408	1055568	850374	1282772	2882509	1341036	1227447	1633220	139695	920426	1323294	1047346	956462	936190	1079276	958262	1768190	1245310	1436390	1564240	1800246	1293570	1543736	1620842	1438022	915028	1281312	214366	1485076	1579774	1593620	1707368	1999434	1950068	970462	1305144	571158	1224376	1570066	145238	1111636	2706370	Lipid	0.36363637	1.3636364	0.0
18	C11 H15 O4 Na1	235.09409	235.09416	0.34896863	235.09416	618973	581114	506085	507958	787274	717812	509144	576282	622176	441389	315026	358140	1037226	661067	547070	631835	479828	1178547	1115888	574070	449562	472314	511989	526226	472545	215622	461235	312338	732737	604409	615011	675144	966791	694466	506715	647913	956849	457604	491127	406061	277097	595195	91862	62967	87956	354912	256272	82932	770964	459712	553576	572645	703951	61194	938775	550669	464053	805455	388711	261788	625950	228678	814916	651942	411785	916183	799267	507753	214199	303300	280651	549520	523311	582175	453712	660020	64520	400299	515621	321033	431437	303098	323928	248073	614345	555270	528134	650722	758154	443724	599961	602627	633232	243500	383174	98474	583242	550114	584441	590297	636015	827412	414964	485007	203109	460765	484306	69051	418392	855954	Lipid	0.36363637	1.3636364	0.0
8	C11 H15 O4 Na1	235.09409	235.09442	0.24787791	235.09413	3658	2709	2583	2599	2509	4502	8160	2111	797	1126	0	3175	1276	10097	1655	4143	1814	0	1122	0	0	1024	1694	0	2384	1685	11004	0	3577	1907	2940	7637	3265	8362	0	2282	4685	3104	5259	0	857	2296	1574	0	0	0	0	0	4435	2832	2399	3474	2307	0	0	0	2117	4383	1137	1402	0	1590	1089	0	5559	1337	12431	3099	0	1233	0	3706	6231	1816	143539	5396	0	3918	2258	0	2142	1230	13174	32677	0	0	2776	4751	6758	1432	0	0	0	0	0	0	4152	0	2064	0	0	2412	3059	2058	0	2399	1667	0	2779	1006	Lipid	0.36363637	1.3636364	0.0
12	C13 H14 O4	235.09648	235.09679	-0.04796674	235.09648	942168	1190606	1055727	1013531	1090059	780344	734806	815452	1153723	890503	739678	750935	1045127	629607	616424	1065755	859446	1544744	1659937	1346712	1270597	955967	684956	632315	563583	616367	794695	654710	1465264	1317768	1141398	1269635	1417279	1123858	1270871	1114872	1201782	635859	953827	878616	910849	881841	76748	72187	82641	636366	644310	94499	1927039	679063	1038961	1145970	1020060	60393	1520052	810816	736805	1122988	627995	619026	995747	564638	1342803	1214021	634063	1265789	880933	874545	663352	868688	834122	899714	1029481	788277	913630	1296377	52555	992717	728020	593049	660109	617423	741214	649858	945978	693880	889372	758608	1073717	878017	882978	943898	770615	610536	949681	104858	1059385	1054702	969123	977969	1017400	1190601	1079927	1042301	502699	694257	957203	72777	556061	1430529	Phytochemical	0.30769232	1.0769231	0.0
6	C13 H14 O4	235.09648	235.09683	-0.046905614	235.09648	207867	241410	162877	215334	214181	146979	177303	194598	267731	192987	167314	144010	216767	156398	160698	206870	200945	285266	296691	201104	240591	225929	187985	193962	114015	181095	157568	131326	201811	186408	182942	195228	246618	161136	235423	192756	213453	157046	262184	140347	391906	201084	67607	60365	82092	189233	192150	70748	222063	170814	211865	210032	203745	61736	296405	256538	182136	229000	155450	196979	209670	122774	254397	201625	128866	215897	170168	252908	235040	218921	315181	140952	172785	183186	130169	212918	60457	127377	184801	91434	181476	176627	179630	128543	224662	179568	209099	167498	223523	488114	143676	158262	196066	151850	175598	79837	205701	203340	198367	264041	303773	246192	187124	195778	151128	156461	207383	62724	140249	264247	Phytochemical	0.30769232	1.0769231	0.0
10	C14 H10 N4	235.09782	235.09828	7.56299E-4	235.09782	1527465	1389298	1265660	1276712	1699020	1125559	1079848	1223466	1722910	1524014	1063462	950792	1944068	976422	1022520	1477470	2773280	2320314	2232015	1986874	1952312	1422910	1107470	1101404	834828	1297516	1106754	963228	1350229	1250498	1044300	1364778	3761644	1149256	1858584	1286426	3287900	936068	3197100	1430852	1538038	1213660	182044	138666	176690	1048492	1018600	173620	1368708	981122	1482916	1468668	1415407	136054	2197628	1499032	881220	1755540	940990	1073522	1517340	850500	1666656	1700340	776784	1809211	1174114	3045172	1237364	1509798	1586226	974248	1110028	1086562	1331432	1267130	139968	802184	2644000	900234	2207840	1004466	1134952	959374	1853158	1167883	2931051	2336491	2672956	2661416	1213294	1244642	1255342	1097986	1438720	185192	1373596	1454714	1524818	1773910	1928350	1549468	1001390	1367216	708764	1028156	1553894	148622	1695321	2046990	Unclassified	0.0	0.71428573	0.2857143
20	C14 H10 N4	235.09782	235.09828	-0.50507426	235.0977	323532	353684	305594	279905	461490	389541	278327	348950	397311	233021	147195	245227	511970	390691	332237	376681	328234	601428	561509	260230	228877	252799	299568	329469	273838	148623	285064	196412	464519	393989	331508	399554	512749	391623	263712	360745	542516	256290	315067	193471	158672	344480	91216	68462	74905	194545	153052	89981	411010	269479	312553	348324	395728	63760	431198	322313	294261	432741	203254	149303	377029	112919	424678	340091	231885	492702	412624	320443	126555	215315	197960	352172	361718	334374	319961	418406	67047	267191	310661	194538	260874	153614	203018	160434	349530	273810	334081	359317	391181	286758	309987	269510	368740	147728	146674	96449	332618	325520	344025	378348	406988	484511	303597	260918	152961	310587	306287	70968	267093	516477	Unclassified	0.0	0.71428573	0.2857143
18	C14 H10 N4	235.09782	235.09811	0.004308859	235.09782	618973	581114	506085	507958	787274	717812	511539	576282	622176	444677	315026	358140	1038873	661067	547070	631835	482026	1182396	1115888	574070	449562	472314	513660	528302	474445	215622	461235	312338	732737	606935	616965	675144	966791	694466	506715	647913	956849	457604	491127	407594	277097	595195	91862	62967	87956	354912	256272	82932	773720	459712	553576	572645	705295	61194	938775	550669	468138	805455	388711	261788	625950	230156	819184	651942	411785	918770	799267	507753	214199	303300	280651	549520	523311	582175	453712	660020	64520	400299	515621	321033	431437	303098	323928	248073	617196	556645	528134	651725	758154	443724	599961	602627	633232	243500	383174	98474	583242	550114	588484	591811	637298	827412	414964	485007	203109	460765	484306	69051	418392	855954	Unclassified	0.0	0.71428573	0.2857143
14	C14 H10 N4	235.09782	235.09805	0.031983852	235.09782	1890912	1921385	1701074	1904988	2472404	1946110	1558748	1697494	2601300	1844296	1319546	1201085	3063973	1603802	1483954	1696958	1577168	3531698	2990649	2473477	2362010	1778814	1357690	1240996	1362698	1107120	1475872	1414304	1932166	1792590	1457082	1968656	2590911	1701213	2439871	1826636	2284910	1293122	1744777	1800246	1507914	1761130	186920	130106	139368	1245020	1165282	174718	2027248	1252320	1882328	1699572	2153972	122138	3224458	1927080	1467072	4432091	1291984	1152664	1698688	1071140	2814912	2559808	1287560	2654087	1839705	1533159	951312	1468200	1425280	1388118	1633204	1528709	1476186	3500290	123730	1286850	1573522	1311954	1366996	1171180	1506858	1329287	2116548	1423998	1865648	1689721	2159827	1585174	2050066	1729804	1828559	1189652	1713324	203538	1937276	1923744	1947278	2441952	2426086	2095968	1300904	1877464	784990	3015680	1848828	143680	1279897	2657651	Unclassified	0.0	0.71428573	0.2857143
16	C12 H14 O3 N2	235.10771	235.10799	-0.10020051	235.1077	15913	20129	20060	17830	12777	14309	19735	22635	4201	7789	9904	13970	6616	8082	15481	27986	35106	14224	14205	5348	12210	22474	17688	36561	19283	6215	14719	11966	24735	18765	21927	24889	31845	28454	7078	21269	34799	14041	36098	13988	22941	17241	1699	2749	2780	8797	10628	2774	32165	20803	16761	18616	13864	2001	5495	2955	8632	36252	8892	14732	27237	9232	7778	4710	7756	11241	16383	36374	4596	3800	6256	28235	21187	14044	16593	22552	1287	12945	23161	34735	14539	9390	10607	10589	4053	6842	24790	22152	18717	45791	58605	30325	44511	18254	15488	2542	20294	18051	7624	2838	5110	32564	12718	12098	7024	40525	6817	2168	24170	9372	Peptide	0.25	1.1666666	0.16666667
18	C12 H14 O3 N2	235.10771	235.10797	-0.06936686	235.1077	10020	10681	9519	7788	7698	7441	9417	10461	2537	3281	4547	7924	3137	6593	6696	15629	13022	6631	7895	2381	2310	8931	6731	18774	10989	0	9142	9068	10215	10217	11476	10002	20263	12767	6214	6099	22051	5350	12840	6795	4830	8243	1529	1968	2274	3719	0	2583	17388	6378	6899	7842	9210	2252	3294	2571	5278	18500	2498	6128	12458	2527	5522	4960	3705	7173	8237	15758	0	0	3524	11786	7151	4507	7457	8559	1580	6086	10776	12322	8995	2392	4118	3319	2746	3338	8431	13039	12471	28513	25950	10316	29350	3304	3663	2966	7513	6894	1812	2318	2221	14803	7000	8828	3318	17262	2144	2056	11156	5903	Peptide	0.25	1.1666666	0.16666667
2	C9 H18 O3 N2 S1	235.11108	235.11136	-0.3007324	235.11102	1811	1098	1227	1561	743	33037	0	807	0	0	0	293	617	0	0	0	0	1010	0	0	0	542	0	0	349	0	0	0	1004	0	1197	1521	2013	2044	0	450	1444	0	0	0	0	0	0	0	0	312	0	0	653	0	2141	1277	505	0	0	0	0	1386	0	0	0	0	388	0	0	619	591	0	0	0	0	1597	1558	775	0	484	0	0	0	0	0	0	0	0	0	0	0	0	1055	0	11408	149709	1291	722	0	0	1517	1591	0	0	0	718	341	0	0	972	0	0	0	817	Peptide	0.33333334	2.0	0.22222222
8	C10 H18 O6	235.11761	235.11794	-0.1387913	235.11758	3929	5793	4153	5935	4585	2565	3201	2667	3809	3021	7233	3314	6908	4998	4762	3223	3717	3818	2901	5382	1754	2318	3012	3331	4182	3341	5171	24211	3451	4278	2587	2104	1986	3463	2265	3325	2010	3557	3080	4771	3884	3681	18274	3787	6123	8946	10531	4434	1999	5212	3887	4781	2654	6984	4748	5406	4225	1057	16799	5457	6207	15552	4171	5618	9724	7088	4462	4541	8882	2673	6863	3558	3954	4021	1418	2183	6655	3269	1948	26201	1987	3886	3329	1894	5840	7865	2476	6295	2085	2101	0	0	2632	7296	6766	3837	3892	5340	4810	2763	6866	3048	2874	5262	215907	917	5613	3899	2340	3602	Lipid	0.6	1.8	0.0
10	C10 H18 O6	235.11761	235.1179	-0.12796642	235.11758	15097	11540	11855	13661	18348	12879	11313	4755	12784	9318	17900	13635	6966	17495	5851	4188	9239	7726	5879	2982	3754	5435	6242	5617	6507	7025	12969	26574	4914	6135	10091	7833	7753	8514	6963	5855	6318	14600	8925	17537	16231	8890	32197	35776	18101	15274	17222	33080	10456	6082	14171	17971	14855	24171	5679	8509	14648	8695	31639	15976	15740	22224	11827	9881	20227	14532	17695	10309	10270	9447	11711	8667	9653	6050	3821	11335	31926	11960	11356	27114	14436	18854	13298	11108	12865	12484	7536	14145	14120	6890	8122	8703	3397	16157	9756	31501	15798	9013	15244	14529	14586	4358	11522	6624	510177	6535	9930	35387	10584	8473	Lipid	0.6	1.8	0.0
6	C10 H18 O6	235.11761	235.11795	-0.13341597	235.11758	50873	58574	45333	47973	9595	5951	16622	9596	7172	60446	124484	6466	14577	24594	7809	11001	12729	10426	7277	25743	25523	22301	7311	20300	9549	19957	45262	195721	9924	12284	5963	7237	6702	8938	11779	9240	6266	7629	12216	81564	86801	13146	42224	4227	7769	97447	374003	9375	9305	12293	53257	51827	6236	14132	8945	10216	7493	13739	130534	128073	122658	128324	25589	5182	16743	26332	27047	30730	199472	36518	448618	9219	5981	12902	3951	7100	9025	4181	9895	273367	7405	18629	7210	7994	11551	13212	7511	15788	7768	14979	30361	22417	9886	99662	68179	5970	51731	50491	7293	7191	15215	9803	6497	59485	2112450	7496	11299	10725	7397	12563	Lipid	0.6	1.8	0.0
6	C11 H14 O2 N4	235.11896	235.11926	-0.040642604	235.11894	3366	5467	2828	3428	0	0	1797	5392	0	0	0	6210	0	0	5836	14915	0	0	0	1234	1444	0	5752	115934	7482	0	1541	0	0	843	1652	1767	978	1352	1369	1044	2250	6768	1921	0	4749	0	0	0	0	0	3720	0	0	2213	4029	4464	742	0	638	0	818	12601	2513	1794	13823	0	701	0	0	0	819	1923	0	0	0	1851	1812	0	1073	1153	0	5493	4385	0	19912	972	1607	0	0	0	2401	819	1078	5498	0	0	10664	1379	2609	0	4175	4706	0	0	0	1142	5071	0	0	124091	0	0	13735	0	Peptide	0.18181819	1.2727273	0.36363637
0	C9 H18 O5 N2	235.12885	235.12921	-0.047348987	235.12883	0	0	1755	1939	5951	13615	0	3477	3424	0	0	0	16383	12461	0	0	0	9319	5206	0	1608	2685	1737	3876	4810	0	0	1475	16861	0	6505	2265	25416	4607	2327	0	4045	0	0	0	0	1381	0	0	0	0	0	0	3554	0	0	0	7060	0	4105	1680	0	3739	629	0	0	0	14776	2080	836	9024	18421	0	0	0	0	3366	5192	2584	0	2376	0	1325	0	0	0	0	0	0	1731	0	965	3208	3763	9234	0	1546	2914	0	0	0	0	0	788	1364	0	0	0	0	0	4617	1754	0	0	25690	Peptide	0.5555556	2.0	0.22222222
20	C12 H19 O3 Na1	235.13046	235.13066	0.20340091	235.13051	0	0	0	0	0	0	0	0	0	0	0	0	0	51014	0	0	0	0	0	0	0	0	0	0	0	0	8793	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8190	1746	638	0	0	3406	0	0	0	0	0	573	0	0	0	0	0	0	0	0	13708	0	0	0	0	0	0	0	0	0	0	0	0	0	1504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1846	0	0	0	0	0	0	0	0	0	0	0	3097	0	0	Lipid	0.25	1.5833334	0.0
16	C12 H19 O3 Na1	235.13046	235.13077	0.36966655	235.13055	0	0	2012	0	0	6090	9772	0	0	0	0	0	0	53514	0	0	0	0	1856	0	0	0	0	0	0	1645	29090	0	0	0	0	0	0	0	0	0	0	1563	0	0	1500	0	1055	0	0	0	0	0	0	0	0	0	0	0	0	1748	6676	0	0	0	0	0	5943	0	21702	0	21294	0	0	1707	1453	0	0	0	0	0	0	0	0	0	0	0	0	74585	0	0	0	0	3229	0	0	0	0	0	0	0	0	0	8704	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.5833334	0.0
18	C13 H18 O2 N2	235.1441	235.14433	-0.17953803	235.14406	2942	5504	2684	4121	2766	2516	5857	5572	1057	2474	1945	4594	0	1395	5338	6393	16747	0	0	0	0	3257	4842	9858	3162	2765	7965	2332	5702	5359	5633	7897	8823	5231	0	2676	6371	5224	20120	1220	2460	4033	0	0	310	4633	0	0	7594	6125	4990	5082	3679	252	0	0	2481	8193	0	1238	8001	0	0	0	895	2067	4022	27817	2551	4000	3357	3334	3271	3534	8024	0	0	3764	6737	4279	6171	0	0	0	0	0	7399	6134	4164	21129	0	2622	8229	3125	1924	0	6622	4709	0	0	0	9257	6632	2670	0	11661	1159	0	7947	0	Peptide	0.15384616	1.3846154	0.15384616
16	C13 H18 O2 N2	235.1441	235.14433	-0.17634647	235.14406	8546	6856	6070	6301	4319	1811	7867	7775	0	7154	6223	3320	0	3221	4837	19619	17772	3380	4340	4126	6595	12080	3176	11296	7816	4878	6914	8409	4750	6740	8062	10306	15525	7039	4959	4762	15156	4290	22444	5323	14343	5023	0	0	0	5800	8748	407	8786	5026	8386	7687	3682	0	0	0	2490	15468	3303	9250	9397	7350	0	1178	1338	3121	8844	19769	5810	5070	8136	9118	8217	8962	18738	9512	0	5224	6549	9446	5044	4325	6993	7864	0	1554	8015	8253	6128	29260	4770	8806	0	8387	8940	0	4737	6681	2120	1233	0	7845	5863	4874	0	20881	2508	312	9621	0	Peptide	0.15384616	1.3846154	0.15384616
18	C11 H22 O5	235.154	235.15427	-0.07724376	235.15398	0	0	0	1544	3525	0	0	0	0	0	0	0	9308	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2144	2997	2332	0	0	3122	0	0	0	0	1381	2674	0	0	36746	0	2701	0	0	0	5339	0	61093	87646	20038	0	0	0	0	0	0	0	0	0	1955	0	0	0	0	0	0	0	10616	34170	0	0	0	0	0	0	0	0	0	3171	2240	0	0	0	12516	0	0	0	7705	0	0	3554	0	0	Lipid	0.45454547	2.0	0.0
8	C11 H22 O5	235.154	235.1544	-0.27399886	235.15393	0	938	1006	1159	0	0	0	0	0	7554	5165	0	0	0	0	0	0	0	0	0	1427	0	0	0	0	0	0	0	0	0	0	0	0	0	1995	0	0	0	0	1854	1939	0	0	0	0	0	2905	0	0	0	988	1003	0	383	0	0	0	0	8494	0	0	6261	1021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1065	1175	0	0	0	0	0	0	112031	0	0	0	0	0	Lipid	0.45454547	2.0	0.0
12	C11 H22 O5	235.154	235.1543	-0.05758809	235.15399	0	0	0	0	0	0	0	1448	0	2449	4284	0	0	1150	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5907	6972	3062	1553	0	5646	0	0	2268	0	0	6097	0	0	814	0	5808	0	0	0	0	3781	1339	0	0	0	0	3067	0	0	0	0	0	0	2790	949	0	0	0	0	0	928	1490	0	0	939	0	0	0	0	0	0	0	5511	0	0	1505	0	1030	0	0	29276	75038	0	0	6294	0	0	Lipid	0.45454547	2.0	0.0
10	C11 H22 O5	235.154	235.15431	-0.09058817	235.15398	5494	7988	5971	5860	0	0	0	14683	0	5791	0	0	1253	0	0	14058	0	0	0	20532	0	0	0	2195	0	0	0	0	1958	2549	12363	42273	0	6977	1678	5316	0	0	0	18946	0	2842	1570	0	399	15563	3271	563	25966	9018	7056	6194	0	1141	0	1449	2668	14863	2114	0	8758	0	3694	127935	0	0	0	0	0	47442	0	13562	11586	6750	1440	8724	0	0	0	0	0	0	0	1004	0	0	0	0	1067	0	9317	0	0	0	4499	647	4942	4979	0	0	0	0	0	282262	28766	0	0	0	0	0	Lipid	0.45454547	2.0	0.0
14	C11 H22 O5	235.154	235.15425	-0.13575624	235.15396	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2159	1121	0	0	2069	0	0	0	0	0	1856	0	0	0	0	0	0	0	0	0	0	1839	0	0	0	0	0	0	0	0	0	0	0	1397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1504	0	0	0	0	0	0	0	3368	22848	0	0	1991	0	0	Lipid	0.45454547	2.0	0.0
2	C12 H18 O1 N4	235.15533	235.1557	-0.2934242	235.15527	3011	2893	1255	3380	0	0	662	1081	0	1832	0	881	0	0	630	28811	1057	389	554	2227	1238	6033	765	18700	11915	0	4012	0	1590	5109	1586	2795	1247	1708	1048	2790	2248	1024	1580	1060	2040	0	0	0	0	2107	1232	0	6411	5239	2622	3019	0	0	0	0	0	11246	0	0	18926	1018	1675	0	0	538	434	2548	0	471	381	3721	2515	2789	10883	1405	0	995	1031	0	1104	0	0	1683	0	219	1434	516	671	45137	0	0	6652	712	1139	0	2347	2080	0	0	0	6588	817	1612	476	3318	0	0	1214	787	Unclassified	0.083333336	1.5	0.33333334
2	C10 H22 O4 N2	235.16524	235.16563	-0.02841459	235.16522	0	0	0	0	953	0	0	0	0	0	0	0	5714	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2072	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1754	0	0	14541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22314	0	0	0	0	0	0	0	0	0	0	285	0	0	0	0	0	0	0	0	16200	Peptide	0.4	2.2	0.2
0	C10 H22 O4 N2	235.16524	235.1656	-0.037686914	235.16522	4028	3714	4569	3816	11155	0	0	3487	3287	0	0	0	23301	26534	0	0	0	16359	3694	0	8869	2554	1265	2994	0	0	0	0	36776	0	4444	11569	17423	3236	1369	3376	2537	1619	534	44242	0	1299	36330	6198	4159	1391	0	1324	18878	0	3939	4373	5184	8688	6387	736	0	1284	688	871	1629	0	8403	4169	982	32817	6896	0	679	1841	0	1703	1429	0	0	0	2871	1742	0	0	0	0	0	0	0	0	711	2090	2703	241591	0	4698	2462	1447	0	5475	3160	2777	1728	703	0	0	0	0	2459	4585	846	1146	0	113816	Peptide	0.4	2.2	0.2
4	C14 H22 O1 N2	235.1805	235.18086	-0.1108525	235.18047	5487	6302	5623	5461	31445	7720	2916	6586	3263	8085	3222	3154	1288	1895	2742	8853	7247	3313	8698	10241	10267	4195	2947	8800	3470	3357	3407	4301	5722	3172	5150	6961	5152	5430	10535	6709	6218	2927	6859	6350	2456	4930	0	0	0	3501	6010	0	7390	5670	6891	5816	18554	0	1593	414	16522	8178	0	0	7234	3079	1953	1477	42414	8969	15254	10642	1954	3336	4257	4569	4570	6572	7023	3683	0	3579	3751	4140	3233	378	371	6220	0	10711	3510	5493	8550	16569	5808	944	13880	3765	10366	0	5426	6917	11461	299	1130	6249	2425	4331	0	6928	15757	0	3183	2297	Unclassified	0.071428575	1.5714285	0.14285715
22	C16 H26 O1	235.20564	235.20587	-0.10634846	235.20561	50022	56537	47997	52177	9541	16113	130327	16586	3855	10207	28354	6093	5898	93703	7638	15068	27586	6325	4424	5829	8209	5507	5197	3893	9469	19301	141177	63266	11058	14540	5735	11290	8605	6935	6666	13174	5174	9018	25536	3679	12486	16026	18414	11428	9843	8910	14208	7696	13034	29037	55003	47556	6441	13909	3325	10770	15399	11568	4493	35576	17538	7325	20317	3529	51612	14626	27095	25397	9516	7052	13259	14535	7911	14945	15742	18651	10623	6839	7001	1393305	5732	16727	36259	63495	4499	6591	14971	9583	14222	35296	1786037	1144462	15771	148126	38676	11117	49690	53794	15114	7235	5836	8830	10183	10400	7785	6355	5166	7925	11138	12452	Lipid	0.0625	1.625	0.0
26	C17 H30	235.24203	235.24222	0.07271939	235.24205	5989	3981	6194	4705	0	2571	122670	0	0	0	8235	0	0	122495	0	0	0	0	0	0	0	0	0	0	0	26607	127753	13328	0	0	0	0	0	0	0	0	0	0	0	0	3506	0	0	0	0	0	0	0	0	0	5482	3599	0	0	0	9670	12192	0	0	3678	0	0	10694	0	218448	0	5439	0	9699	0	1853	0	0	0	0	0	0	0	0	8546	0	5854	12680	41926	0	0	0	0	0	0	0	1458	0	0	0	0	3133	0	16167	1869	10904	0	0	0	0	0	0	0	0	0	Lipid	0.0	1.7647059	0.0
6	C11 H9 O5 N1	236.05534	236.05573	0.05083054	236.05536	10601	12752	8083	10872	20463	10775	4178	9797	23872	3740	4489	6531	29527	10672	8040	13626	11427	31181	30758	3650	5293	14229	13148	14194	5967	770	5183	0	5024	6175	7032	8410	13673	8415	4510	6131	13210	8401	14008	3130	4061	12651	1083	680	1317	4875	4329	1275	8936	8955	8852	12822	17038	1453	24659	16893	10303	13970	3822	3508	11188	1791	35411	19856	9788	26270	12312	13510	2674	2526	0	6831	5659	4855	5241	5876	1064	4996	9696	4811	7610	3900	3333	1655	17122	11490	9674	17049	18856	19021	0	4505	26392	2918	3396	1262	10755	9920	9983	17917	17375	12516	7609	5182	0	14350	12967	985	6747	46676	Phytochemical	0.45454547	0.8181818	0.09090909
16	C11 H9 O5 N1	236.05534	236.0556	-0.056709025	236.05533	18712	24267	19257	20331	27446	59153	21324	24025	16032	0	4698	32474	17964	64592	15260	33804	30682	46163	39751	2747	0	17490	22617	30027	12120	0	21498	3083	22617	24345	67765	28736	99237	28992	3196	14759	78662	13032	32670	1912	1782	31619	1431	1488	2250	5311	0	2568	27909	26044	24448	27408	77706	1821	12600	8363	11112	39970	3348	0	34702	0	18270	14994	15453	50540	58648	49678	0	1533	1545	23894	13809	11382	20999	18523	2081	22931	24053	6628	15960	2313	2417	0	13868	11568	23467	124706	57451	40095	6948	4617	32818	2376	2922	2719	24409	19697	10824	11802	11726	80849	21000	2796	0	52821	10174	1518	17959	24813	Phytochemical	0.45454547	0.8181818	0.09090909
14	C11 H9 O5 N1	236.05534	236.05563	-0.04877601	236.05534	24310	29291	22101	23258	29933	19828	24576	30881	25059	4934	8247	30933	29670	21517	20995	43355	38038	39366	33285	2621	3750	20329	25682	24986	13824	0	23624	0	20218	19369	28463	32737	36656	37420	5478	26065	40611	23724	38556	2451	5071	26064	0	1432	1633	8171	3837	2420	52931	21807	19570	20494	32366	1805	23249	11605	19276	40300	0	7160	27903	2703	26363	26637	15125	37031	28945	53479	0	2151	3301	28357	23260	17335	26407	24246	1178	18626	27760	0	20293	6799	4751	3619	22202	14259	33992	40695	38988	57557	14162	9804	43521	4694	4699	2561	20835	16760	14114	20644	16246	35531	25132	7005	0	35869	11739	1443	23732	28923	Phytochemical	0.45454547	0.8181818	0.09090909
10	C11 H9 O5 N1	236.05534	236.05566	0.010432072	236.05536	30660	24163	24302	23032	43740	30816	19998	22056	45570	7513	7550	21676	60544	26008	18313	35923	32975	77261	75219	5278	9888	23995	31456	27136	14513	2540	23199	9443	19662	20045	18823	21819	45554	21997	13425	18563	37941	21597	39641	7376	7062	35114	2252	1080	2070	9481	4895	1834	25297	16708	28807	26895	42744	1890	45732	27337	18806	34083	5868	11144	41909	2801	49224	53762	17996	52085	34342	36502	0	3692	2651	16115	17725	12818	21017	18795	1363	20712	32045	10707	24174	6408	7902	2441	39610	26017	36085	45351	46833	51486	8115	15510	41870	11597	7471	2527	27763	25217	29445	34905	30080	37733	19496	9010	0	35800	25229	1284	19470	85510	Phytochemical	0.45454547	0.8181818	0.09090909
8	C11 H9 O5 N1	236.05534	236.0557	0.011456488	236.05536	19590	23333	14226	20356	38773	19356	11101	13260	38109	4183	6267	15225	55664	19374	11970	29264	21741	49035	53379	6305	6910	16248	20678	18603	9528	981	13194	3257	13289	12292	13530	13789	26117	15506	9339	10833	23384	14445	22812	4483	8503	24607	1918	898	1749	8793	5791	1337	20842	10066	21105	21033	29167	1209	44177	30943	19026	22893	6838	6288	24517	3475	56873	43526	14733	49620	21997	24744	0	2872	2044	11817	14477	7880	16849	16093	1175	12313	19203	3848	15103	5241	4744	1925	24018	14064	18978	33803	32982	39121	0	8729	31913	4913	5484	1777	17932	21904	24132	39896	28360	27056	15099	6572	0	24752	21985	1052	11554	75592	Phytochemical	0.45454547	0.8181818	0.09090909
12	C11 H9 O5 N1	236.05534	236.05566	0.001826846	236.05534	24239	33942	30447	26898	34132	28084	22459	23923	34285	7295	8869	19673	38078	22421	19569	49926	40473	55134	52759	8089	4714	28230	26251	30279	18954	1211	21398	0	24416	23696	22861	30561	42342	27109	13961	27180	46332	19912	46796	5465	5146	33043	2529	1446	2206	9000	4506	2104	39413	20938	30515	29854	40294	1645	35394	19257	21812	45994	0	7921	55160	2667	55182	37078	19374	60054	33230	39296	0	2486	4084	18047	20703	19364	39084	26985	1186	16576	31311	0	25810	5887	4426	1087	26832	19331	33462	42897	42788	65551	15963	17930	55745	9953	7871	2503	27671	29546	22604	28657	20616	56728	19901	9862	0	37945	18760	1683	22091	68404	Phytochemical	0.45454547	0.8181818	0.09090909
10	C9 H9 O3 N5	236.07782	236.07808	-0.003430134	236.07782	0	1251	0	1221	5537	21616	0	0	5831	0	0	943	1914	17190	0	0	0	5644	7007	0	0	0	1855	0	0	0	900	0	0	0	0	0	1357	0	0	0	1214	758	1310	0	0	1130	0	0	0	0	0	0	1494	0	0	0	5712	0	4058	2602	824	0	0	0	0	0	4496	5517	2026	3985	21924	2206	0	0	0	939	0	0	0	0	0	0	2808	0	1656	0	0	0	4249	1843	1826	1953	946	1969	0	0	0	0	0	0	0	0	9315	1874	1699	0	0	0	0	0	2683	0	0	5188	Peptide	0.33333334	1.0	0.5555556
6	C10 H14 O4 N1 Na1	236.08932	236.08974	0.26747403	236.08939	0	635	0	0	0	630	1191	0	580	0	0	491	782	0	0	2331	0	0	756	0	0	0	0	0	0	0	1923	0	0	0	0	0	0	1050	0	677	756	538	0	0	0	632	0	0	0	0	0	0	0	819	0	0	965	0	0	0	499	0	0	1440	0	0	0	0	574	816	1402	1260	0	0	0	0	610	0	67791	705	0	0	0	0	0	0	697	0	0	0	0	1117	0	0	0	0	0	0	0	0	1307	0	0	0	0	0	686	0	0	0	2004	0	535	0	Lipid	0.4	1.4	0.1
14	C10 H14 O4 N1 Na1	236.08932	236.08957	-0.03252798	236.08932	0	0	0	0	0	2496	0	0	0	0	0	0	0	21716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1075	0	0	0	0	0	0	0	0	0	0	0	0	0	908	3686	0	0	0	0	0	0	0	6402	0	7024	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1023	0	0	0	0	0	0	2697	0	0	0	0	0	0	0	0	0	4259	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.4	1.4	0.1
4	C10 H14 O4 N1 Na1	236.08932	236.08966	-0.0784587	236.08931	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	706	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	341	0	519	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23116	0	0	0	0	0	0	0	373	0	0	0	360	0	0	0	0	0	0	0	0	0	0	504	0	0	0	0	0	0	0	0	0	0	0	279	Lipid	0.4	1.4	0.1
8	C10 H14 O4 N1 Na1	236.08932	236.08965	0.2728221	236.08939	0	1385	0	0	1318	870	814	0	1423	0	0	676	0	0	1023	1071	0	0	0	0	0	1113	0	0	0	0	1079	0	955	0	866	0	0	0	0	0	1129	1606	0	0	0	0	0	0	0	0	0	0	0	0	0	934	1451	0	0	0	1249	1070	0	0	0	0	0	789	0	0	2183	0	0	0	0	0	896	0	29463	0	0	853	0	0	0	0	0	0	0	0	1128	756	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1007	2200	0	0	0	Lipid	0.4	1.4	0.1
18	C12 H13 O4 N1	236.09174	236.09198	-0.10380419	236.0917	23748	21216	19862	21761	27903	21242	23184	31803	19390	7778	11760	19496	23659	18799	27166	25027	33181	34809	28201	5817	10084	26051	23810	29145	19713	3717	23657	12004	20699	24650	22855	27940	38620	27612	11073	27476	48560	20149	35751	14813	20385	22362	6524	5824	9007	8630	10382	8538	32724	19870	23954	27028	25766	5952	29720	15033	17489	42152	10054	17517	26642	7488	15892	19842	15139	33065	25118	36684	5350	6660	6268	27989	25824	26413	24030	24477	6030	17770	24292	19823	19192	11087	14309	8189	13472	17396	30068	33389	31314	39057	33655	23627	47727	8417	15274	8218	23947	20003	19371	13789	14777	39399	22924	17920	3820	28850	12585	7060	20020	29324	Phytochemical	0.33333334	1.0833334	0.083333336
6	C12 H13 O4 N1	236.09174	236.09209	-0.053576764	236.09172	185074	209245	163946	179793	214112	134606	110140	151740	261846	144385	111243	120073	275716	83174	122154	214425	180227	326983	334321	141415	194025	297552	146613	196112	82187	87506	107990	72227	143272	120436	141220	159221	256910	141615	175617	129676	235406	125045	250969	133366	228068	184348	8821	5821	6540	123666	144506	5639	175294	126499	190380	192576	200259	6399	303245	167461	123370	220416	94365	159295	197384	108222	262765	231836	90534	252024	180691	241504	127960	147391	211052	123767	124841	105997	109939	138003	4772	92051	136102	76211	108318	99730	103369	85884	151597	121433	151727	229261	230947	410253	105324	144378	440829	131218	158709	7751	179824	169068	131382	154314	176352	231389	130207	155465	74077	256817	157531	5500	101901	430481	Phytochemical	0.33333334	1.0833334	0.083333336
2	C12 H13 O4 N1	236.09174	236.09213	-0.030142551	236.09172	81235	84718	60018	81606	182348	89097	38772	63141	177431	56510	68817	59388	249911	67753	43920	53274	78765	193529	175128	53487	86334	93660	55630	50770	27155	18554	29129	36185	63421	48638	66016	62146	114057	61427	85591	55861	88266	38290	88500	55218	78278	117279	6112	5029	7515	38906	51279	6559	61104	37122	71105	81702	148871	6027	189743	108476	76276	89816	28630	57180	55734	32340	219696	206478	69431	199975	115277	101247	34905	38696	46804	58567	63629	48884	44040	64846	4915	41984	47196	26168	39166	31104	27538	23004	97563	57547	52247	153075	143363	128896	42410	51568	113794	41644	35639	12471	80823	80619	117806	140574	118801	80073	59220	47466	35310	91250	107044	5485	36595	326431	Phytochemical	0.33333334	1.0833334	0.083333336
2	C9 H17 O4 N1 S1	236.09511	236.09546	-0.12761106	236.09508	3663	2761	3310	2755	6059	24896	1120	3588	2729	592	0	1609	15447	11399	1115	1263	4235	19577	13969	578	673	2414	1043	1792	534	0	0	1333	6153	662	11531	5131	7897	6360	2305	5197	5324	913	3448	591	0	5634	0	0	0	735	315	0	1970	0	2626	3233	7559	0	1425	3595	2004	6713	865	394	885	0	4094	1500	2542	11430	10408	10160	0	322	0	3311	7068	2189	0	2887	0	1058	883	0	545	0	474	0	2513	2006	1670	5162	7506	3401	3864	3289	3891	593	0	0	3166	2539	2147	3358	4127	1615	1266	1095	359	6589	1698	0	1310	5989	Organosulfur	0.44444445	1.8888888	0.11111111
6	C11 H13 O3 N3	236.10297	236.10333	-0.08498825	236.10295	26186	25468	22153	23916	13413	10323	18121	32486	12734	15168	11761	19691	11719	5714	29905	45274	28258	21806	20777	16709	20191	37314	36075	142668	22549	6750	16059	6799	20208	16042	18914	21958	28857	17607	18329	16633	22432	31425	32982	15674	24996	14985	0	0	0	36146	18754	0	26195	23279	26064	22877	15220	0	14395	7366	10703	42319	13483	23360	44928	11556	14498	10853	8985	14608	15453	34652	8589	12216	14051	21111	13726	12319	16378	13870	0	16165	30799	9762	30343	13972	16690	10954	10316	12463	34698	16668	17267	92065	18412	22651	83397	15579	22700	0	25130	22077	7561	5850	7216	21345	18902	21916	8253	35300	10741	0	32665	18864	Peptide	0.27272728	1.1818181	0.27272728
4	C11 H13 O3 N3	236.10297	236.10333	-0.10806296	236.10294	14681	17525	16007	14574	15195	9697	9297	15076	11808	11322	7635	10811	11922	4944	11936	22336	28743	17807	15923	13982	16258	25525	15596	28023	11919	5025	10073	6344	10568	10346	13441	11560	15132	9445	17664	10989	13810	13404	36456	15209	22343	17061	1102	327	0	14948	18811	0	16115	16101	15987	12505	19003	0	11971	8031	12473	20644	11602	20532	20296	11571	12946	11520	8581	16137	13655	32033	6830	7536	9468	9872	8933	9416	11759	9648	0	9381	19575	10389	17079	10195	11724	8915	12940	13799	17134	18672	12792	47408	16283	18141	41505	12006	15070	602	15289	16868	10507	9221	11873	14821	12443	17538	9516	19138	12923	0	16061	11536	Peptide	0.27272728	1.1818181	0.27272728
2	C11 H13 O3 N3	236.10297	236.10336	-0.07195464	236.10295	25624	25143	21801	21182	25993	19065	14896	19841	24523	26420	24190	19973	26811	10223	18309	11595	33474	31835	33910	24762	43997	41503	19493	23986	12324	5538	7376	17444	18352	14091	19634	16683	29697	14803	39102	17695	25951	17442	38913	26281	33745	21795	343	0	0	14897	20941	0	22011	14513	20484	22661	28530	0	24865	13426	16433	27536	9807	23231	13161	13315	36244	22910	15620	32863	27124	44120	8725	12119	14671	15365	17345	13299	12367	17707	0	15439	23096	15041	19192	12537	10576	11667	21303	17184	21675	34429	27008	72644	20582	25494	60264	19367	9650	0	25095	22106	17243	15604	15718	21801	17928	19869	14158	33099	15932	0	23462	36766	Peptide	0.27272728	1.1818181	0.27272728
0	C9 H17 O6 N1	236.11287	236.1133	-0.10755759	236.11284	5922	6061	5720	5661	19667	24884	0	15371	7345	1596	0	4367	25307	16274	3453	0	1818	33119	13943	1872	6168	6712	4835	5397	4664	0	0	0	29157	3713	20390	9220	61718	43774	4130	13508	18667	2147	2451	1813	0	12098	4593	0	0	3486	0	0	11378	3633	5782	4930	18425	469	8903	2223	1597	13405	2090	0	3665	0	22624	8328	2184	22265	32677	2583	0	0	0	56827	40603	8150	0	13312	0	5692	0	0	0	0	0	0	2333	1783	1874	15371	16347	2032	0	4567	8052	0	0	0	3700	6109	1583	1606	1960	8730	5143	2352	0	17168	3051	0	0	52614	A-Sugar	0.6666667	1.8888888	0.11111111
4	C10 H13 O2 N5	236.1142	236.11456	-0.17413886	236.11417	2202	2815	2593	2512	5936	1496	3790	4594	1128	0	0	1390	9777	0	5691	9406	2467	2167	3009	0	0	2160	4213	11820	21356	0	1946	0	4119	1798	4150	4671	5136	6259	0	4228	3880	4062	3929	0	0	1878	0	0	0	3880	0	0	2959	2770	2705	2741	2284	0	973	742	1303	10821	0	0	10416	0	966	1011	0	2731	3323	3951	0	0	0	4177	2564	1315	2261	1838	0	892	4972	0	14982	0	0	0	1621	3035	6026	5398	4164	4888	0	0	10386	0	0	0	2497	2747	995	1641	1517	5069	1658	0	0	12332	857	0	9133	1470	Peptide	0.2	1.3	0.5
8	C10 H13 O2 N5	236.1142	236.11455	-0.11499902	236.11418	0	0	1216	0	0	0	0	0	0	0	0	0	0	2065	910	1080	1086	4059	74222	0	0	1412	0	967	922	0	0	0	0	0	946	860	0	0	0	0	0	0	1343	0	0	0	0	0	0	0	0	0	0	0	1153	0	0	0	0	0	0	0	0	0	0	0	16421	0	0	0	0	1588	0	0	0	0	0	0	0	0	0	0	922	0	0	0	0	0	0	0	1070	0	0	6653	0	0	5244	0	0	0	1183	1116	0	0	0	1076	0	0	0	1056	0	0	1231	0	Peptide	0.2	1.3	0.5
6	C10 H13 O2 N5	236.1142	236.11449	-0.15301494	236.11417	1377	1915	1439	2022	2035	2643	3978	1600	1241	0	0	661	2122	1969	2500	2170	0	3965	36024	0	0	0	1719	2076	2153	0	2747	0	3353	2458	2112	2913	5526	3447	812	1683	4556	1244	0	0	0	2001	0	0	0	0	0	0	5199	1609	1975	1302	2513	0	1008	0	1948	0	0	0	3782	0	1202	0	849	3574	2780	0	0	0	0	2057	3207	1165	1122	2018	0	955	905	0	1308	0	0	0	1469	2479	1166	3617	2808	2579	0	0	3363	0	0	0	1526	1735	826	797	0	4933	1007	0	0	1622	965	0	1221	2018	Peptide	0.2	1.3	0.5
6	C12 H17 O2 N3	236.13936	236.13968	-0.13625884	236.13933	8096	10065	9195	10488	2811	2443	6491	11106	2255	10922	8611	6688	937	945	7546	13737	10336	4248	5579	16786	16137	28228	7654	13188	8646	6547	6125	7024	6512	8612	8321	11821	10183	10872	19277	8066	9498	7742	12441	9882	16003	4066	0	0	0	9257	12615	0	10591	9162	9575	9078	3072	0	1777	860	2409	12586	4010	7927	10782	7056	972	1008	2892	3087	4107	18124	3581	8099	11223	9660	8030	6758	6793	8621	0	5865	7778	6211	7452	4622	5896	11245	994	1835	9365	6929	5513	63951	7068	6142	29087	12036	16307	0	7282	9031	1296	831	1001	9304	6519	11302	0	12658	1667	0	9948	2516	Peptide	0.16666667	1.4166666	0.25
0	C10 H21 O5 N1	236.14925	236.14964	-0.20849591	236.1492	28321	32761	31097	33994	72861	207576	11896	133956	62530	5029	1876	60071	70343	118958	90772	34010	8664	80348	88332	3318	14842	45623	118008	41047	0	2343	1522	0	246273	39887	171931	63734	352473	124088	8062	60565	47144	75090	10393	3536	0	37819	13203	473	501	26436	0	531	69220	38425	32720	25856	106213	12212	50287	32366	35756	81939	2333	741	35859	0	64776	63061	32994	100152	173082	10965	2889	21559	1563	107715	147957	86208	9885	78704	0	232410	21794	0	21528	819	2028	0	23281	33538	64885	59302	121562	20829	38824	9738	76650	3554	0	7905	31993	33202	46086	9179	12612	23543	162181	2913	1622	112960	32947	442	21765	108887	Lipid	0.5	2.1	0.1
10	C14 H21 O2 N1	236.1645	236.1648	-0.086226285	236.16449	19720	14291	18715	16137	19301	9367	10320	30447	7759	26924	12253	8140	7893	13660	31435	20198	16633	8754	13811	36728	36000	13823	7082	18752	8891	5985	12907	14981	12775	10926	105957	18914	17034	15006	29914	15945	16784	32813	20165	19770	14917	7826	1077	493	398	10796	9820	0	20015	15699	20405	18755	9538	728	5135	3163	2824	20521	0	7102	21710	5568	6477	6185	2895	12579	10474	21649	0	13213	10632	18528	14073	14549	13768	13912	0	6970	8664	8565	8741	3161	2475	12753	5077	3569	18541	9154	10626	37212	26070	4735	26986	11908	23406	0	18079	15745	8065	5453	8208	14789	9349	11555	0	17884	7488	0	11832	8302	Lipid	0.14285715	1.5	0.071428575
8	C14 H21 O2 N1	236.1645	236.16483	-0.084464125	236.16449	26688	29379	21345	25766	14877	11245	26466	28824	7095	56392	31335	19858	9428	7951	14488	32795	24325	12740	22814	60604	64535	28799	12402	31377	14966	15862	32231	26516	24222	19690	22313	37783	30513	34036	71188	23652	33353	14467	30186	35511	30033	12311	1013	409	390	20160	21634	327	35356	29256	22828	28423	13820	379	8729	3042	7339	38967	0	6408	30090	14023	10812	7586	9517	17784	17214	34138	10369	15989	19653	33516	29001	23639	27459	27203	391	16388	15542	17552	13043	3349	3234	38884	3850	4894	21072	17120	21000	45022	42620	6264	37595	25935	44776	555	28830	24557	6914	3367	4079	28281	16830	26549	0	25229	6310	0	15218	11788	Lipid	0.14285715	1.5	0.071428575
18	C14 H21 O2 N1	236.1645	236.16475	-0.12074178	236.16447	32467	30366	21910	25893	12818	11894	16079	10394	6960	55604	37182	8869	4299	15526	5383	26361	32153	12597	8111	68379	57733	36557	6140	14936	9541	77024	16164	44127	14904	15037	11580	19068	23319	25148	52225	19318	26792	8858	37302	55455	86827	11935	1600	338	589	60469	98265	876	24269	10085	28587	28661	12518	1599	5351	5721	6046	24466	16083	49952	17118	29215	5699	5405	7593	10508	12561	41121	62561	59781	104120	12192	15950	18692	39859	22236	683	8816	16286	48313	5849	46724	27912	44760	6502	6194	28581	16853	12839	51237	60598	50084	19266	42583	67822	971	26875	27245	10684	6416	6841	24103	8208	34201	37002	16803	11646	697	19762	9593	Lipid	0.14285715	1.5	0.071428575
20	C14 H21 O2 N1	236.1645	236.16473	-0.1051105	236.16447	10387	13126	8298	11056	8103	5289	7112	4933	1709	10869	10291	5019	0	7756	4255	10319	17450	4847	3548	12248	13323	11241	5115	10026	12020	14921	8985	14315	8663	9880	7312	9313	9145	16023	9088	12443	7682	4795	21155	15129	27329	7119	2130	628	525	11535	29930	906	11300	6175	10487	8162	6214	1366	2270	1297	3032	11308	6430	20774	9302	8306	2336	0	3706	5131	8345	17055	10666	15846	25787	6775	10029	10608	14947	12055	1092	4816	13405	16103	3630	15445	11612	12029	3888	1602	36643	5658	4813	46313	24857	19283	8464	16327	12578	1194	7093	11579	4008	0	2869	11615	5683	18981	13729	5258	3626	758	20324	3776	Lipid	0.14285715	1.5	0.071428575
6	C14 H21 O2 N1	236.1645	236.16484	-0.09831905	236.16449	71842	77007	66499	71415	86371	59776	89516	67459	26494	149948	58715	38307	20758	24972	37797	96843	34678	70766	78233	152528	152713	103790	28329	98155	40262	24219	101168	64965	55207	51573	314688	69358	142494	67456	187655	62967	143564	36231	49971	76556	35974	38676	2301	496	305	44276	37902	316	94393	50796	78518	74734	57140	512	44662	7890	23782	105071	936	4526	98938	32916	18306	25331	22923	35403	55185	62493	15794	39273	42526	83194	56677	80734	49966	52613	312	49526	34870	45795	24883	6482	7157	68154	11111	14369	48292	36407	46460	132345	160688	33406	141580	74964	157803	416	67119	61382	29458	7222	10116	123181	45646	53114	21560	121812	45087	469	36912	26127	Lipid	0.14285715	1.5	0.071428575
12	C14 H21 O2 N1	236.1645	236.16478	-0.12777753	236.16447	7173	10335	12325	9955	7118	4613	0	10373	2835	14192	9662	4398	4195	7012	3547	15692	7933	3563	8324	15139	17284	11308	4987	6329	3383	12472	4387	15679	5946	7130	6511	10545	7537	6337	16087	8438	7548	4793	11090	12002	14162	4211	0	507	466	15082	17977	437	12717	10069	8344	7512	6969	603	1772	0	3557	9858	0	7216	0	5234	3791	1588	1542	5470	3649	8302	0	12607	15629	6669	8174	6931	12745	8565	359	3912	6735	0	6781	5670	3111	8824	3399	1822	12275	3999	4111	25509	46808	17704	18881	12295	32172	616	7210	7693	2373	2919	3325	9427	3501	9195	0	10324	5498	530	6650	3152	Lipid	0.14285715	1.5	0.071428575
16	C14 H21 O2 N1	236.1645	236.16478	-0.0767876	236.16449	20601	24295	19074	18246	7422	7330	6960	10247	1912	42632	34089	7021	2706	10398	5486	17155	14832	5978	6120	49855	61668	27297	5388	10622	6219	87100	7030	31680	10670	8027	11766	12864	11104	9557	41407	10439	11853	4671	20724	49543	84567	6878	550	567	387	40574	74003	359	14085	8667	20442	17797	6697	816	2712	1300	3598	11691	7996	24875	7136	28689	2158	2458	2876	7250	6615	19221	69465	66648	108735	11022	11074	8708	18365	10443	404	3979	5066	32298	2315	35529	15242	43161	3411	4115	14388	10193	3819	41833	35078	31948	0	32901	40450	970	17316	16661	5872	2138	3462	14191	4878	17705	23137	12291	5357	437	10610	3764	Lipid	0.14285715	1.5	0.071428575
14	C14 H21 O2 N1	236.1645	236.16478	-0.07825321	236.16449	13518	15959	10358	10265	6968	2551	7190	3583	3834	18138	19772	3934	2261	3066	1341	8698	9209	2889	4254	21096	27574	8462	0	6180	5101	30418	7274	9152	4536	5420	6034	8240	7388	7890	14679	5816	8419	4063	8800	20914	29479	3589	0	0	281	18737	36928	398	11821	6134	10252	11655	5476	735	1936	1313	2294	12903	0	12941	0	8156	2880	1985	1389	3469	3589	11137	13790	23571	43777	7595	6702	5397	11950	7197	262	1957	5190	0	3007	12523	7925	19834	2041	0	11748	3362	2341	34672	42910	35374	12717	16388	25522	432	10334	8579	3243	2067	1389	5033	5157	11490	0	8915	3730	445	7963	4563	Lipid	0.14285715	1.5	0.071428575
14	C13 H21 O1 N3	236.17574	236.17555	-0.26108915	236.17567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	88347	0	0	0	0	0	0	0	0	0	0	0	0	9843	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1461	0	0	0	0	0	0	0	0	192069	0	0	3171	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.07692308	1.6153846	0.23076923
12	C13 H21 O1 N3	236.17574	236.17604	-0.0710998	236.17572	37951	42190	41707	38661	2265	4475	25227	79254	0	7148	4862	48843	1654	0	40548	123201	47217	2115	2295	12265	11355	9294	48642	178865	166618	0	18474	10752	22144	13046	29229	10857	37539	0	0	9840	23705	36227	44143	15010	0	5874	393	0	0	112549	130827	0	16049	22277	34693	39368	7450	0	0	0	10105	179340	0	0	111359	6403	0	0	9191	0	10219	57245	0	10517	1313	0	0	4564	14286	11030	0	42816	117865	223661	74747	8492	0	26689	0	7958	137532	2429	11233	594232	262780	0	698795	149904	221570	0	42981	46230	1849	0	0	28041	39102	6639	86329	226990	2841	0	151042	0	Unclassified	0.07692308	1.6153846	0.23076923
8	C15 H25 O1 N1	236.2009	236.2012	-0.07562499	236.20087	5144	8556	7863	7450	4664	4170	5201	5507	2536	17246	10847	5311	3644	2601	2086	8544	5167	1987	10288	14357	15294	6387	2062	2549	5606	17045	7821	6369	3691	3212	4617	4173	7074	3214	27179	5041	5415	4138	4369	7070	0	2227	0	0	0	6354	8272	0	8532	5805	5367	8457	2318	0	0	670	1781	9514	0	0	5803	2748	2610	943	2073	4832	2127	11352	11427	19267	23310	6350	5446	4246	33744	4328	0	4283	6842	10059	4254	0	0	12518	2235	0	11901	2953	3421	39263	28409	0	23433	10393	26137	0	7589	6201	1866	1118	0	3967	4353	0	0	11644	0	0	5575	5753	Lipid	0.06666667	1.6666666	0.06666667
10	C15 H25 O1 N1	236.2009	236.2012	-0.020600762	236.20088	4773	5590	4327	3976	1012	1591	1762	3888	0	11094	3452	841	1643	7631	1272	7412	1214	4020	5736	9822	12237	3730	1779	3727	7542	11107	2392	6062	2167	4782	3210	2535	4517	1103	10554	1574	2470	2091	1685	5859	0	1958	0	0	0	3367	8164	0	0	1897	5047	4138	2576	0	0	644	989	7253	0	0	0	0	0	0	1196	1816	1842	2977	0	11595	10642	1998	1763	2642	1859	1453	0	1467	4446	12770	2201	0	0	7205	0	708	8976	2241	1743	50340	56800	0	26746	13609	35412	0	2886	4759	0	0	0	1198	866	0	0	9000	0	0	2381	0	Lipid	0.06666667	1.6666666	0.06666667
24	C15 H25 O1 N1	236.2009	236.2011	-0.1122646	236.20087	5806	6682	4851	7996	0	995	0	3977	0	0	3977	3518	0	0	2777	9883	9862	0	0	4454	5521	4260	4821	9586	1846	99596	1877	5191	2118	1894	4177	3125	2738	3681	0	2541	1724	2519	8312	16140	20415	0	0	0	0	79449	144547	0	3523	4062	4691	6712	0	0	0	0	867	5891	994	6652	6306	7020	0	0	0	0	2036	6746	56296	48205	79714	5720	3176	2279	9742	2032	0	4141	2424	8110	4175	71851	3890	22709	0	0	1893	2330	0	6243	7571	7126	5259	4775	3138	0	6729	7890	1000	0	0	1921	4992	2282	68527	5037	1772	0	2032	0	Lipid	0.06666667	1.6666666	0.06666667
6	C15 H25 O1 N1	236.2009	236.20125	-0.09458731	236.20087	16849	20670	17918	14552	32219	18737	6070	14555	6779	30400	13787	9480	46818	10902	16812	28347	8662	19087	24790	35920	40036	5986	16251	17317	13530	33112	8729	12534	9128	11271	15834	14333	15051	12371	32074	12019	17018	19917	12752	16123	1169	5987	0	0	0	9019	17398	0	19078	12325	16172	16787	19860	0	14013	3938	4099	23852	0	0	21211	7925	5957	12195	4406	24438	9331	21452	21648	36420	40999	14077	11738	14236	14493	11762	0	9575	15889	8035	9857	0	0	16654	4690	3042	26407	7339	11000	52480	76596	0	29757	16859	36634	0	16560	14381	15498	2041	2991	14185	7461	5354	0	17223	10898	0	9506	10142	Lipid	0.06666667	1.6666666	0.06666667
12	C15 H25 O1 N1	236.2009	236.20114	-0.06941282	236.20088	0	2289	2435	3002	1420	0	0	1558	0	2287	0	0	0	961	0	2828	1972	1573	3636	3073	4523	0	1196	2376	2268	1939	0	0	1711	0	4136	2450	1751	1335	2012	2082	0	0	0	5108	0	1262	0	0	0	1404	0	0	2434	0	3434	2506	2643	0	0	0	795	2769	0	0	0	0	0	0	1560	0	2296	0	0	5085	5065	1476	2075	2169	1491	0	0	1664	5645	0	1117	0	0	7708	0	0	29500	0	2172	39997	79516	0	9818	20625	18754	0	2193	3660	0	0	0	0	0	0	0	3635	0	0	2215	0	Lipid	0.06666667	1.6666666	0.06666667
12	C16 H29 N1	236.23727	236.23781	0.038122084	236.23729	0	0	0	0	0	0	0	0	0	0	0	0	0	58402	0	0	0	0	0	0	0	0	0	0	0	3036	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8413	5863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2937	893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	1.8125	0.0625
14	C16 H29 N1	236.23727	236.23781	-0.04063601	236.23727	0	0	0	0	0	0	0	0	1288	0	0	0	0	89159	0	0	0	0	2588	0	0	0	0	0	0	5489	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2340	0	0	0	0	0	0	0	0	1477	0	13229	11756	0	0	0	1716	0	0	0	0	0	0	0	0	0	0	0	0	3036	3229	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	1.8125	0.0625
16	C10 H8 O3 N2 S1	237.03284	237.03304	-0.06439091	237.03282	0	0	0	0	0	0	0	0	0	0	0	1118	0	0	1596	3578	0	0	0	0	0	2280	0	10560	2802	0	0	0	0	0	0	0	0	0	0	0	0	0	2618	0	0	0	0	0	0	0	0	0	0	1220	1724	0	0	0	0	0	0	6108	0	0	0	0	0	0	0	0	0	3159	0	0	0	0	0	0	0	0	0	0	18949	0	3235	0	0	0	0	0	12642	0	1357	30707	0	0	0	0	0	0	0	0	0	0	0	1860	0	0	0	0	0	0	2048	0	Organosulfur	0.3	0.8	0.2
12	C11 H8 O6	237.03937	237.03966	-0.04022862	237.03935	29273	32939	27328	31080	67201	42982	17473	21369	82788	10856	21522	20993	95041	50682	27686	36438	19492	105184	109211	7077	7668	15129	40587	18957	11914	1900	19966	0	23374	18939	22660	20358	29758	25405	12303	19695	24106	23425	23233	5419	0	46794	3146	2517	4466	8659	6280	5146	28256	19388	29089	25331	57983	2662	73650	43480	35972	31842	0	0	29859	2506	140579	66650	31522	113916	47139	22954	0	1825	2473	23490	19901	18118	23915	23937	2558	24820	31364	0	29123	9460	4557	2489	60063	35832	51046	45429	52440	24209	14780	13013	17307	11762	15155	4684	34331	30674	46041	67491	61698	33558	25178	3819	0	23858	40682	2726	18791	135660	Phytochemical	0.54545456	0.72727275	0.0
16	C11 H8 O6	237.03937	237.03964	-0.05085914	237.03935	21212	22911	17051	22318	45129	48974	15046	19742	37885	13068	11922	15709	55270	48447	22223	21053	14874	92012	105958	6385	3415	10905	29174	23222	13759	2152	15512	6209	16464	24035	22948	20485	20175	20169	11764	22491	20766	18541	14402	1793	2131	29115	4306	3367	5857	6325	5000	7744	24347	20378	19379	19724	37780	4234	31647	25240	26475	22488	2942	2740	16854	2421	74204	38320	26700	74980	37351	14234	4893	2449	0	22043	20645	18599	10871	25278	4199	16047	29825	18337	21845	6954	3236	1316	45778	32509	34702	32843	38689	0	15114	8991	0	7475	11136	6370	19669	18763	25181	38413	35678	21474	15690	4878	6149	20713	23480	4550	14406	79730	Phytochemical	0.54545456	0.72727275	0.0
8	C11 H8 O6	237.03937	237.0397	-0.03809522	237.03935	15500	17151	11436	14480	51237	23210	5059	3845	54847	4182	7967	7710	85865	27546	8026	7871	6130	54326	61841	4895	5239	9120	12951	6079	2767	718	6616	2454	5331	5971	5589	7123	12162	4486	9024	4894	9160	7492	8743	2618	4298	17762	1721	1507	3248	3991	2425	2537	5899	3022	17513	16909	31315	2011	42819	48938	23959	6720	3443	3490	7641	2089	91922	50311	17738	64395	20283	10742	3436	1563	1925	3586	6237	2938	5516	7227	2092	5672	12232	4308	8780	3735	2106	1284	51485	19248	12622	23627	25544	7361	0	0	4317	4981	3473	3511	12205	15091	33293	67724	61448	10013	9473	3810	0	7293	33789	1722	6357	91171	Phytochemical	0.54545456	0.72727275	0.0
0	C11 H8 O6	237.03937	237.03986	0.20363009	237.03941	0	2249	0	2103	1285	0	1943	0	3529	1576	1986	1560	1738	0	1379	0	2135	1760	2949	0	1724	4979	2223	0	0	1326	0	701	1730	1761	0	1469	2216	1709	52571	0	0	1710	1918	3686	2058	2345	0	1120	3348	3274	0	2246	0	0	1483	1678	1254	1335	1665	2263	2099	0	1263	1900	2457	1098	0	2114	2071	3388	0	3692	2656	1467	2422	0	0	0	2368	2265	2515	1354	1198	1208	3080	2719	2026	1740	1971	2000	1144	1449	2195	13073	1420	0	1589	1259	0	2726	0	1994	3018	2049	3225	2875	2353	0	3102	1696	1523	1373	1617	0	Phytochemical	0.54545456	0.72727275	0.0
6	C11 H8 O6	237.03937	237.03973	-0.008675515	237.03937	7480	7824	4943	8538	25490	9963	3069	2007	24875	1831	3049	3897	38717	14568	2778	2240	2762	24156	23590	2333	2422	3914	5923	2950	1672	865	2130	2160	3018	2941	2468	2313	5776	2675	5318	3451	5551	3152	3180	2476	3140	7904	2122	1421	3060	3200	1643	2340	4295	1808	7705	8033	14666	1613	19636	24307	10802	2357	2114	2041	4513	1169	40935	17352	8451	31035	8143	3068	3337	0	0	2322	3162	1833	943	3712	1744	2363	5070	0	5222	3368	1774	1125	26827	10448	4213	11895	13037	2699	0	1910	2408	3238	2188	2977	7397	5550	17182	35275	36138	4725	4224	0	7264	3043	18240	1414	2230	43940	Phytochemical	0.54545456	0.72727275	0.0
14	C11 H8 O6	237.03937	237.03964	-0.049962565	237.03935	24937	32052	23707	28885	68937	49953	21069	15599	66031	8829	13519	25842	100024	61994	25416	28763	25799	83311	73774	5474	7994	17646	37752	18364	17112	0	18844	8345	17990	20967	24834	28426	31076	28392	15397	17887	28092	23757	25992	4316	5563	40258	2731	2527	4081	8523	0	5788	27204	14134	25120	27776	43332	3055	58223	37371	35444	38800	0	0	23104	3711	104154	59458	35090	89444	45977	24789	0	6147	3041	19936	25260	17408	20060	33565	3409	20703	38090	22551	26959	8569	4140	2356	60374	34238	42162	41385	62483	27608	16613	9512	16558	11432	8521	5555	21228	27354	33746	56073	54157	23387	25946	3401	0	23695	29625	3911	18299	91489	Phytochemical	0.54545456	0.72727275	0.0
10	C11 H8 O6	237.03937	237.03967	-0.008583223	237.03937	24585	20350	20307	19487	74665	39603	10385	10353	75934	8951	7214	13531	118903	46224	14572	14292	9919	88849	77484	5321	9700	11219	19524	11175	5711	1312	9037	2678	9391	7542	9037	11217	21237	9147	9921	5811	19513	15418	10914	3482	4071	24275	3558	2254	4608	4345	4110	4460	9368	5072	20124	22864	48991	3402	67900	51237	25014	19183	4345	5675	20000	2733	112923	71701	25920	94546	26200	13908	0	1671	1412	5347	6127	7178	14196	10009	2463	10554	21044	9608	17130	7026	1379	1728	75543	31069	23530	29388	40658	13493	6618	3845	8247	8490	5996	5444	18946	22329	43362	70640	75083	21263	12289	4047	0	10913	40265	3596	9358	130166	Phytochemical	0.54545456	0.72727275	0.0
18	C11 H8 O6	237.03937	237.03961	-0.058536034	237.03935	12605	16700	10916	8374	25968	20464	7731	7964	21566	6603	6481	8067	37655	26052	7231	9508	9278	34080	37873	0	3276	12191	17996	10150	6266	0	8979	4264	0	8880	10454	9642	14528	6745	8567	7680	8946	6270	10671	2633	3628	13391	3771	2746	4436	6378	2770	6326	7818	5026	8156	14433	20787	2742	25829	17740	15478	15459	1360	2638	6859	1046	35474	21547	14764	42173	16737	8442	1530	3916	1769	8940	7764	3839	5030	9255	4390	7186	17082	7735	14912	5642	2182	1560	36143	19165	22995	20405	23364	14255	9553	8574	8889	3011	5558	5747	12913	13703	20191	26000	28953	8188	9410	1932	3631	9584	14917	4353	11102	36409	Phytochemical	0.54545456	0.72727275	0.0
6	C10 H8 O5 N2	237.0506	237.05096	-0.001993485	237.0506	9838	10693	8769	9310	8246	7172	5345	11335	7378	0	1164	9283	6969	2467	6989	20651	14762	13272	14592	1125	2082	12928	11593	19613	8202	0	4778	0	7816	5822	9969	10395	12870	7830	1634	7278	10849	8483	19724	0	693	12383	0	0	0	2977	0	0	10607	11146	9229	9024	10026	275	8426	4011	5914	14506	1042	3037	19413	0	13392	7281	4931	13010	11473	20964	0	0	0	12057	7326	3001	7325	6848	0	6707	12871	0	9958	1372	680	0	6802	5251	10215	18831	13839	56094	0	2968	37721	666	1083	0	10240	8609	3769	4974	5664	12055	8508	2073	0	24462	3378	0	9361	17925	Unclassified	0.5	0.8	0.2
8	C10 H8 O5 N2	237.0506	237.05093	0.037360966	237.05061	5273	6441	2987	6908	9205	4969	3459	2959	9223	0	1341	4765	11391	3385	3523	5900	6725	12639	15013	919	872	5711	3821	5241	2031	0	3140	0	1976	1498	3352	3836	6589	3945	3158	1744	5915	3890	7245	0	1148	8751	0	0	0	2533	0	0	3294	3057	3650	4687	7698	0	9995	4593	5641	5005	0	2597	0	0	14843	12372	5131	10811	7012	8680	0	1308	0	3150	1752	868	3636	2976	0	2603	4734	0	3118	1123	0	0	6119	0	2770	14369	10240	9161	0	0	12791	0	0	0	3989	4756	4910	6340	4870	6921	4165	0	0	7520	5427	0	2522	22826	Unclassified	0.5	0.8	0.2
12	C10 H8 O5 N2	237.0506	237.0509	-7.80969E-4	237.0506	2272	6629	5290	4057	10331	7425	0	2721	9227	0	0	4528	7886	5828	3354	5232	6071	14453	12294	0	0	0	5633	6551	2803	0	3258	0	3170	3117	3690	3050	10707	3628	0	3475	5251	4117	9234	0	0	9758	0	0	319	0	0	0	4228	2715	5383	3928	8782	231	9164	3725	4726	7343	0	0	0	0	11495	12652	4307	9786	9506	7740	0	0	0	2603	2853	1777	4836	4046	0	3884	4822	0	5833	0	0	0	6915	2848	5666	10317	6720	11837	0	2070	15442	0	0	419	4449	2546	3272	3861	4341	5725	4736	0	0	9401	5612	0	5876	21813	Unclassified	0.5	0.8	0.2
10	C10 H8 O5 N2	237.0506	237.0509	0.015427779	237.0506	4198	5310	6443	5673	13132	7285	2452	4390	9718	0	0	4173	10913	4995	4315	5836	9171	13220	13331	1502	1433	6381	6047	7076	3164	0	3100	0	2968	2473	2852	3310	6497	2392	1204	2574	7451	5173	10373	0	1349	7898	0	0	344	0	1788	0	3853	2238	3583	4934	8622	0	9494	3715	4416	7615	0	2118	0	0	16781	12781	4980	12242	5180	7326	0	0	0	3413	1051	0	3008	2600	0	3716	7920	0	4979	1078	0	0	8886	3078	5215	11251	9821	19035	0	2187	11381	0	1222	0	4000	3803	5404	7057	6412	7776	3931	0	0	8539	6851	0	4958	21096	Unclassified	0.5	0.8	0.2
18	C12 H12 O3 S1	237.058	237.05826	-0.05717413	237.05798	4745	8437	4539	7837	10408	9056	3015	0	3472	13067	12501	919	8836	5498	4256	4733	5025	11257	11288	17284	6010	12069	1459	2685	5181	2877	2135	9497	3500	2536	1266	3149	5486	0	9269	1811	5157	2652	5363	11359	9502	5037	461	0	447	7119	9135	405	3088	0	9220	6954	8608	366	7127	6494	2731	8557	8619	10235	0	8559	4352	4559	2983	7994	7364	6146	0	0	3672	0	0	1430	3404	0	421	2010	6281	20612	0	6872	8068	5014	3335	2518	7141	11206	7951	4367	39906	24786	6439	22099	29341	638	4190	6972	6517	6316	4315	6476	1335	13246	8227	7252	8667	0	2542	7628	Organosulfur	0.25	1.0	0.0
20	C12 H12 O3 S1	237.058	237.05826	7.78198E-4	237.058	4520	7080	2336	5057	8437	9469	2034	0	2855	9485	3425	0	6393	5906	0	3109	4296	14164	10630	6096	4629	11524	3392	4670	3328	1730	4336	4147	0	0	2066	2436	1732	2699	5217	1830	3946	1615	3120	5240	5042	4419	0	0	343	3655	6449	742	2298	1412	3955	4614	6428	410	2981	3473	3364	2691	4709	6733	3413	2480	3012	3892	2905	8931	4996	2734	1919	1786	3829	1262	1748	0	0	0	380	1117	1457	13407	0	6311	4174	0	1978	3277	5815	7126	7038	3698	19081	20318	3996	9618	6141	0	4941	5730	4783	6524	5843	3881	1391	5029	3517	1780	5384	0	2175	6722	Organosulfur	0.25	1.0	0.0
10	C11 H12 O2 N2 S1	237.06923	237.06956	0.19356164	237.06927	3043	2354	2190	1770	2191	2225	1755	1332	1541	0	0	1507	0	0	1287	7181	5328	2338	5091	0	0	0	2509	6645	4739	0	3797	0	2145	0	1693	1438	6823	1998	0	1816	7372	2587	6421	0	2962	4905	0	0	0	2973	0	0	1653	1129	3294	2465	3932	0	1410	0	2142	6572	0	0	0	1009	0	0	1267	1453	1908	7509	0	0	0	0	1120	0	2207	870	0	1762	10170	0	5835	626	0	0	0	1322	7730	10712	4494	20162	0	0	11536	1330	0	0	2425	2739	1418	0	0	3953	1399	0	0	5953	1033	0	4920	0	Peptide	0.18181819	1.0909091	0.18181819
22	C12 H12 O5	237.07574	237.07599	-0.07057255	237.07573	52627	55480	38839	41135	69448	68471	32101	43174	66159	33468	22345	33640	62529	260682	46963	37244	30347	67047	59130	34631	38055	45401	48418	47138	42209	28615	47087	21069	44508	38712	34128	42092	52036	43022	56792	40044	54352	39175	36403	29779	27805	50881	24417	23900	32410	38273	26677	30641	47105	35263	41836	45344	52407	19928	70139	56276	50140	53794	30223	21662	45964	22563	72681	57534	385902	79762	55430	42897	26233	32879	33634	38522	36657	39012	22699	48236	23603	30180	50786	22755	51391	35545	28853	20965	62947	45673	44786	41351	53387	34483	50303	37664	50071	25544	28259	32269	42827	48829	64459	72968	69239	53991	37511	32309	31953	38068	46434	27491	41489	88183	Phytochemical	0.41666666	1.0	0.0
4	C9 H13 O4 N2 Na1	237.08458	237.08504	0.16017808	237.08461	416	0	0	0	639	0	341	0	523	0	0	0	0	0	0	697	0	0	399	0	0	0	0	0	307	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	603	0	0	0	0	0	0	0	0	0	468	0	0	0	0	0	684	0	26922	0	0	0	0	0	0	0	0	0	0	0	0	670	0	0	0	0	0	0	0	0	0	0	595	448	0	0	0	0	0	0	627	0	0	691	Peptide	0.44444445	1.4444444	0.22222222
16	C11 H12 O4 N2	237.08699	237.08722	-0.06897894	237.08696	6421	4936	5661	5461	5367	5286	5213	7316	2705	0	2730	4393	2211	5576	6705	7639	13593	7529	5599	0	2452	7900	6020	11297	7061	0	5450	2043	6426	4983	4925	6679	10921	7229	3408	4068	11893	6146	14152	2901	3226	4312	1357	1772	2783	2829	1762	2309	9332	8982	5510	4455	6568	2089	4082	1341	4732	9652	0	4236	0	2087	2234	4468	4153	5334	4635	15579	0	0	0	7874	7416	3426	4212	4709	2298	2899	9953	0	6245	2965	4394	1469	2311	2627	8611	9630	10487	23893	5495	4773	0	1907	0	2215	4799	3432	3182	2687	1591	6636	5626	3319	0	0	4533	2260	10140	4619	Peptide	0.36363637	1.0909091	0.18181819
12	C11 H12 O4 N2	237.08699	237.08728	-0.07917017	237.08696	49858	59984	61139	54330	38391	35042	65452	57153	36441	18437	16786	47422	25182	18004	53448	91419	97409	55525	67427	18328	26760	62932	58021	77717	64888	4756	55384	16588	46797	47522	55676	65193	74363	58603	29195	51112	69648	60937	119264	19227	31364	50068	2515	2139	2154	24531	24972	2658	70588	54077	54295	49263	45716	2539	41409	14858	37395	93441	19805	31522	73134	14032	38918	32737	29335	47390	47018	119205	0	13658	18467	45974	39560	32090	67915	54159	1662	49571	69292	28000	63806	23902	24626	10843	20206	43839	85849	54422	54247	186554	42038	52535	151460	16568	28567	3142	59857	58370	29326	13709	19381	83299	51176	31334	0	88081	25382	2094	71910	56297	Peptide	0.36363637	1.0909091	0.18181819
14	C11 H12 O4 N2	237.08699	237.08727	-0.06323281	237.08698	17431	20937	22034	25683	24511	18989	22015	19463	14257	7615	11505	19941	11131	10886	20408	33808	26884	27326	19968	5672	8996	31866	24304	32354	19528	2027	24502	0	13107	13174	22348	21162	30978	23978	9506	16572	35578	23240	37101	10551	12940	18905	0	2281	1801	7494	7555	2485	27886	13593	19028	18510	21339	1980	16130	4770	21234	41915	9027	12428	21105	5024	9957	15118	12444	16641	18830	37695	0	4539	6359	21072	18159	9345	22466	18152	1547	17640	26530	0	25857	6264	9859	5943	9005	12159	34435	31267	27693	89901	20588	19094	60236	8745	8131	2538	23018	13265	9884	8920	7665	23121	17701	13849	0	42369	10862	1907	32466	25434	Peptide	0.36363637	1.0909091	0.18181819
2	C11 H12 O4 N2	237.08699	237.08739	-0.039517898	237.08698	239663	245823	198981	242434	224038	330742	65830	224640	165926	52614	113594	164455	284033	169449	114143	55554	149059	285124	326696	47877	71318	288671	203146	284385	106915	6939	25301	109308	223176	133484	274493	251846	385365	194248	116247	180156	288129	107676	159863	33812	32942	254814	3290	2556	2280	84216	60982	1982	273844	137661	228193	229620	249425	3011	154016	96594	131580	418005	21359	33539	76440	12390	368609	178820	162934	420397	317205	214985	17818	41577	25397	228697	232315	134720	48030	150025	1445	128085	185462	216694	130836	24226	21879	10904	105663	95113	201789	369850	401660	338703	1088068	743914	469677	108187	15572	4584	227772	211492	160958	115562	114292	248685	148599	58507	18864	419818	100136	1513	111226	343668	Peptide	0.36363637	1.0909091	0.18181819
0	C11 H12 O4 N2	237.08699	237.0874	-0.1552818	237.08694	7994	6761	7228	7168	13756	8115	5770	10732	9604	2760	3873	6265	15979	9359	6713	2197	22838	16407	14227	3378	6885	11184	7754	9465	4896	1813	2723	2934	13437	4752	10637	8880	19427	8918	5853	7552	10791	7230	28279	3470	2412	17505	0	1601	2009	4796	2927	1586	11084	5876	8174	8074	12640	1471	9343	7392	6467	15340	2474	2515	4458	1916	18244	10822	13017	13296	14526	24175	2768	2762	2900	9308	10281	6818	0	11749	1516	4324	6872	2042	5766	2488	3041	0	6595	6684	8821	12713	16395	8242	4527	5422	16133	3057	2724	1993	7583	9128	5532	6236	5846	9158	4657	5113	2605	13978	7785	1307	8688	21331	Peptide	0.36363637	1.0909091	0.18181819
0	C16 H12 O2	237.091	237.09128	-0.44133896	237.0909	0	0	0	0	0	8461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2575	0	0	52275	2355	0	1481	0	4032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	319	0	0	0	0	1196	0	460	0	0	0	0	0	0	0	0	0	0	0	2120	0	383	0	0	0	0	0	0	0	0	0	0	154491	0	0	0	0	0	0	0	0	0	0	23335	10001	0	20000	0	354	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.125	0.75	0.0
8	C9 H16 O7	237.09688	237.0972	-0.18166327	237.09683	38004	42712	44916	42178	17683	22398	1767	857	3057	30527	52629	888	18870	30908	2610	0	840	0	6453	2451	4507	5063	1027	1883	3922	1905	1380	219813	1991	703	1880	1742	0	1576	35163	1178	933	1259	1016	40474	1082	17344	2141	813	830	47960	5665	3216	0	0	41756	42794	7539	1253	10095	2127	67782	1775	249805	0	4440	113019	45831	10411	124410	186853	314855	1120	23547	16553	13287	850	1681	1225	0	1018	974	894	0	285657	766	41564	618	0	12975	56760	0	9332	6696	0	50283	51414	0	110407	21674	711	36453	44231	8372	3473	26789	0	1912	12117	1528740	1147	12777	3407	0	2318	Unclassified	0.7777778	1.7777778	0.0
18	C15 H12 O1 N2	237.10223	237.10252	-0.095053	237.10222	2089	0	2338	0	39837	11279	0	0	0	0	0	0	4223	78746	0	0	2551	0	4679	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2072	0	0	24389	0	0	0	0	0	0	0	0	2915	1883	20686	0	0	6604	15575	1609	0	2054	0	0	0	2093	10477	7080	20245	3901	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2829	3572	0	2794	2778	0	0	0	0	0	0	0	1631	0	7450	0	2122	0	0	1919	0	0	20189	0	0	2394	Unclassified	0.06666667	0.8	0.13333334
20	C11 H17 O4 Na1	237.10973	237.11006	0.17344713	237.10977	380201	437130	380008	336816	490640	480667	389358	424627	486909	288816	193957	297331	591526	473185	458938	420636	363465	650547	666811	372651	334142	315092	365828	350825	392217	186600	366106	225809	529349	421163	392771	483448	630133	434664	347474	429329	631930	335935	388518	262052	196806	382033	112164	93680	90831	266722	191923	110032	501382	311673	403621	415487	431142	91723	582636	409545	341236	540162	325099	213798	413181	160834	530362	460955	277247	553993	425970	391976	157933	248858	214094	352234	389167	418821	370299	462193	83135	331424	387216	204376	317899	184312	356071	219233	388859	331689	409498	390827	441143	338844	440401	402021	506133	183565	209305	114645	386296	411261	389264	426291	446047	584028	365345	391346	184411	391888	346378	93848	334974	639946	Lipid	0.36363637	1.5454545	0.0
8	C11 H17 O4 Na1	237.10973	237.10997	-0.19019757	237.10968	2045332	2222817	723898	2132778	1016761	748216	1782473	1824880	1108310	775004	598760	1498913	1185244	730468	1604203	2225719	2509567	1231980	3137409	1169772	1083794	1979588	1695253	1862724	1286301	1004423	1802388	570866	2071342	1848135	1716748	2284009	2343659	1720132	1139802	2049153	2368827	1472433	2895183	799488	1822933	1972098	163164	142812	204120	816040	780968	175406	2355913	1647788	1936627	2144667	2004584	133196	1468206	1023810	804338	2098361	695308	1573887	1051568	514217	1253786	1124808	620812	1078925	1781764	2484914	917628	1056718	1210862	1437274	889691	899029	2037607	2252443	137834	1353193	2033657	491188	1625854	1407289	2162928	886331	1118186	712456	2233058	1600380	2042183	2538770	742754	964274	2061776	663480	803928	180126	1985019	1064636	939625	1487612	1493286	2509580	1538344	1012192	423614	1655510	1087618	141030	1460301	1217296	Lipid	0.36363637	1.5454545	0.0
18	C11 H17 O4 Na1	237.10973	237.11014	0.11507846	237.10976	836005	850961	748691	756437	1035002	917232	836298	805371	878413	695334	430786	506728	1314120	862564	771441	837406	659102	1523256	1404663	846186	658928	638035	674089	652796	639874	280810	735692	493782	1002102	760838	779715	952767	1313023	920887	716656	913041	1256993	671253	738082	529257	373437	798861	109219	72635	93572	489993	346414	90960	1025405	608269	802876	790546	906021	71754	1319507	820963	633177	1003959	571850	426894	824388	329721	1097866	881246	607390	1214074	908681	720115	252106	366558	349253	710312	673815	820624	654559	866903	68668	548478	655546	425366	546520	406318	631296	424765	786458	726070	737435	787877	926410	594999	981204	980538	814929	341574	576473	99464	808999	799318	758474	822699	845923	1161635	557388	782707	265118	622803	691941	80022	609041	1191528	Lipid	0.36363637	1.5454545	0.0
10	C11 H17 O4 Na1	237.10973	237.11	0.33036932	237.1098	2065606	1900196	1743592	1731798	2246837	1550592	1815076	1823188	2022051	1666754	1142272	1341508	2327314	1488857	1354336	2378610	4323608	5954628	5764924	2446032	2348234	1767036	1415558	1565152	1309821	1858687	1780970	1152242	2074612	1777516	1569458	2041776	5466300	1755080	2090528	2027614	5186123	1309722	5054677	1553386	1700974	1695399	247226	153260	191290	1419156	1286430	195218	2040070	1443644	1993924	1982241	3776432	155072	2686394	1821435	1111555	5118360	1290094	1468716	2231278	915136	2130206	2050051	1127722	2470026	1759694	4754968	1591332	1975024	2045798	1396924	1664925	1656610	2178307	1795940	150876	1130600	1790654	1068752	1361698	1255865	2022813	1561666	2346149	1610005	2006672	3261604	1846760	4175256	1779020	1746218	1734150	1241108	1723244	204408	1865031	2045510	1778820	2361106	2573459	2524442	1314314	1904896	768078	1538240	2040238	168304	1244972	2509637	Lipid	0.36363637	1.5454545	0.0
16	C12 H16 O3 N2	237.12337	237.12361	-0.1334739	237.12334	10615	10206	10234	11612	8539	6471	16687	12148	4144	4338	4855	9805	6968	5940	10175	17450	20842	9410	9983	5977	5249	12447	8909	18451	12383	2335	14942	13052	10853	8399	13257	17039	25743	16880	7917	12238	20635	9602	30823	4301	10440	11339	1414	2114	2187	4665	4291	2028	21433	9625	12622	11137	13300	1893	6753	1945	5297	24709	4884	8207	17199	5901	4080	4271	4770	9176	9079	27084	0	4380	3466	12879	8981	9822	16044	13673	1504	7978	16316	12497	8390	6443	8201	3465	4691	5615	15017	15714	12614	40853	29890	15986	34429	8405	4631	2362	9214	8311	3866	4450	3637	19727	8072	12336	0	19728	5811	2061	14641	9427	Peptide	0.25	1.3333334	0.16666667
8	C15 H17 O1 Na1	237.12498	237.12561	-0.70907027	237.12482	207419	231753	174997	211636	86382	95852	186532	282074	78007	125317	82864	174965	63159	31989	194522	368342	318333	126815	162721	153160	138477	264237	177290	380966	213003	53759	205821	77157	271714	239907	252309	301529	342637	283848	178947	243736	364572	185993	387187	150783	192611	158761	2698	2057	1804	167125	154572	1609	356891	237564	191590	208028	126613	2087	88173	32509	90753	323901	123452	184911	301330	86751	50471	84831	77596	97745	138331	373433	53806	76798	83910	263309	229246	184192	228300	255659	1210	183875	202425	135416	181478	124684	172285	99938	47646	73531	204473	187974	189717	491051	240063	204244	493334	120735	164860	2351	210365	201891	61924	41345	42162	307316	170222	220857	51603	315728	74730	1435	229421	99455	Phytochemical	0.06666667	1.1333333	0.0
2	C15 H17 O1 Na1	237.12498	237.12521	-0.40623626	237.1249	0	3394	0	0	0	0	0	1434	2000	0	0	0	1656	0	0	1423	0	0	1774	1854	0	0	2620	0	644	0	0	17995	0	0	0	0	2645	0	0	0	602	798	2446	0	0	0	0	0	0	0	0	0	770	0	0	0	0	0	0	0	978	4010	0	1434	0	0	1098	0	0	0	623	4114	0	0	0	0	4314	3558	0	0	0	0	0	0	1834	0	0	0	0	0	905	0	0	0	0	22600	3329	0	0	0	0	0	0	0	0	0	345	0	0	0	0	0	0	1440	Phytochemical	0.06666667	1.1333333	0.0
20	C17 H16 O1	237.1274	237.12764	-0.084575646	237.12737	13140	20635	9423	11194	8983	8415	10835	13936	6236	8088	9556	11193	8670	6790	12185	17594	20873	8732	6893	9364	11365	7422	13605	17443	14567	11863	13663	8528	15566	14174	14327	12736	19669	15369	10205	12055	19426	9285	12703	5720	11621	6935	750	0	382	6613	7339	0	18708	12677	13069	17061	10999	266	5580	4668	7544	20024	8756	12424	15911	7336	9351	6273	6195	9849	14391	23742	13234	15589	11992	9891	11906	14285	18201	16225	323	10392	13548	9142	12944	4962	13733	0	8280	10059	20768	12079	11757	23348	10693	11058	26249	6853	8781	1076	11607	13130	11269	11806	12440	16212	14774	9729	6051	14808	8478	0	10564	8999	Phytochemical	0.05882353	0.9411765	0.0
24	C14 H20 O1 S1	237.13077	237.13089	-0.11560816	237.13074	0	946	1285	2344	0	0	0	0	0	2672	2557	0	0	0	0	0	0	0	0	4684	2811	1497	0	0	0	0	0	4763	0	0	0	0	1673	0	4543	0	0	712	1059	2070	2128	0	0	0	0	1387	3395	0	0	0	0	1073	0	0	0	0	0	0	1243	2196	0	888	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11670	0	1385	1604	2412	0	0	1075	0	0	2089	24860	14583	0	7994	7853	0	2083	0	0	0	0	1696	0	2005	2989	1325	0	0	0	0	Organosulfur	0.071428575	1.4285715	0.0
6	C10 H20 O6	237.13327	237.1336	-0.19515775	237.13322	5213	6079	5874	6620	973	0	1865	2516	1305	9807	14118	524	1342	581	1825	2344	1757	1913	962	23756	6161	6992	1417	4339	1059	4677	1922	82948	1707	1526	1027	737	0	981	2581	1951	0	1206	0	13002	6277	1600	2303	1432	2613	51059	87419	1269	0	1294	6324	6812	613	3588	1160	1864	849	2108	4190	8639	7568	23543	0	0	913	1307	838	1952	62366	55946	174494	0	1053	1810	0	0	3095	0	1433	155449	1077	3373	1178	1338	1144	2138	869	1070	0	1241	9021	21640	2914	20688	37028	1328	5711	7083	1054	610	1726	1743	603	30370	44991	0	1979	1700	821	0	Lipid	0.6	2.0	0.0
8	C10 H20 O6	237.13327	237.13356	-0.2349589	237.13321	22616	18203	0	19160	4664	2303	3760	2764	1646	18848	26844	1531	6314	8661	2447	2544	2069	2738	2115	21824	10911	10919	2404	5676	813	5445	9141	73745	2325	2104	2097	1579	2044	1406	7666	2522	2466	1770	1483	20085	12697	5318	12027	2175	3632	48930	42922	2299	2471	3214	18732	16760	2922	8130	2284	1839	5055	6602	87963	8809	53678	101525	28532	1609	16911	12532	10797	2305	29849	28900	52328	1008	1310	2295	0	1890	5030	1599	4110	123008	1586	7847	1387	3664	5304	12357	1834	5446	2823	1709	11638	11856	4100	33036	23239	2662	19361	21576	4775	3084	5054	4200	1056	26480	1981870	3030	5100	2645	3075	6899	Lipid	0.6	2.0	0.0
12	C10 H20 O6	237.13327	237.13359	-0.1767828	237.13322	0	0	0	0	0	0	0	0	0	0	0	1337	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1232	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2768	3661	3239	0	0	2967	0	0	0	0	933	3334	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2395	0	0	0	0	0	0	0	0	1229	0	0	0	0	0	0	0	0	0	3209	0	0	0	0	0	0	0	0	21473	0	875	2945	0	0	Lipid	0.6	2.0	0.0
0	C8 H17 O1 N6 Na1	237.14343	237.14381	0.43487695	237.14354	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7027	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22388	0	0	0	0	0	0	0	0	0	0	28755	10772	0	1305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.125	2.125	0.75
6	C13 H20 O2 N2	237.15976	237.1601	-0.11111034	237.15973	22070	22436	19751	21682	9478	7338	15777	15987	6929	45287	18081	9060	6664	5034	10756	24409	22245	10651	16952	43269	41117	36492	10868	26501	14955	14133	16232	19155	20668	19004	18388	35547	34872	26168	58853	20062	37339	10019	33089	23808	18317	11467	0	0	0	17394	15964	0	33395	13494	21748	23112	11010	0	6248	1954	4449	34761	1054	3781	26728	12356	7062	4462	3063	13070	13370	39692	10930	22309	24986	17707	23140	18605	31008	24403	0	8522	10356	15059	12124	4876	4823	19557	3282	3795	20093	13969	17380	50919	39793	15175	40728	20480	35578	0	22224	17822	3629	2589	2949	31319	10183	22484	0	23558	2952	0	15195	9382	Peptide	0.15384616	1.5384616	0.15384616
12	C13 H20 O2 N2	237.15976	237.16003	-0.15683077	237.15971	9746	10477	10710	7283	2638	2795	10073	7211	980	8154	4731	5640	0	1212	2769	16901	14123	2250	6119	10732	12901	10659	3846	12751	3434	9149	5642	0	7064	11767	7054	12658	8858	8431	11198	10686	12722	7066	18567	13265	17634	4579	0	0	0	43786	71975	0	12808	9205	11918	10227	2428	0	0	885	3550	13510	5754	7913	0	7503	1936	0	2033	3175	3510	14117	0	8181	13248	8967	11866	10067	11129	10264	0	4244	6899	0	4721	32538	6060	9733	0	1067	6877	5922	4372	17420	12467	11843	14893	5755	19142	0	9779	8671	0	1259	896	9834	4832	11284	24043	11562	1994	0	7970	1997	Peptide	0.15384616	1.5384616	0.15384616
14	C13 H20 O2 N2	237.15976	237.16002	-0.12851977	237.15973	5921	7051	10179	7090	1461	1734	5323	7442	1682	8396	3900	6554	0	0	3116	9639	14184	2235	3213	5305	6758	11779	2568	8300	2625	8152	8380	0	7220	10485	7942	12018	8090	10971	5082	9219	12283	3450	19301	10669	19004	3200	0	0	0	26206	47197	0	12327	7646	12627	9769	3204	0	1675	0	3106	14163	0	16444	0	5064	1717	1407	1805	2753	2102	15132	0	5918	16120	9334	10212	7004	11046	10794	0	3975	4196	0	3617	22701	10855	12815	1792	0	4520	6227	4772	16852	16520	15638	11452	5076	13058	0	6412	8948	1148	1378	1610	7777	7439	9742	0	11388	2324	0	7603	0	Peptide	0.15384616	1.5384616	0.15384616
10	C13 H20 O2 N2	237.15976	237.16003	-0.13657185	237.15973	10388	9764	8135	8198	2520	2399	6466	12691	2970	11498	9594	4883	1476	1253	4146	13015	9139	2739	3480	10038	12438	15996	5522	16681	7090	10436	8799	5948	9469	10764	7610	9775	12057	10695	13378	7342	14040	5222	17384	12589	15221	4350	0	0	0	23801	33895	0	8003	7723	8597	10632	3078	0	2429	808	2601	13503	2660	6166	13924	5784	0	1097	1752	2720	3530	16648	0	12078	13392	9994	9350	8616	10592	9788	0	5714	5506	0	7186	14625	3881	9665	2646	2052	8150	4762	4790	17862	13676	4762	21493	9016	14050	0	10646	6932	1702	716	1063	11719	3810	10345	0	10890	2994	0	9002	2280	Peptide	0.15384616	1.5384616	0.15384616
22	C18 H20	237.16377	237.164	-0.14010558	237.16374	8359	11550	9799	10135	7314	4119	8754	19352	5100	0	4834	8638	5337	0	12880	15113	25643	0	5430	6109	6533	9319	10699	16529	12119	8973	13276	5505	11111	14700	10066	9187	12185	10569	4325	13279	13055	10656	22192	8043	6755	21778	0	0	0	8852	7621	0	12271	15985	8853	8935	6101	0	8544	6634	9728	19913	7668	8733	14969	2993	5685	5723	5263	7060	10447	20409	5751	10318	4980	10048	10191	12869	19104	14963	0	10521	16539	5893	10824	5506	7774	5620	10651	9601	19929	8632	7861	34344	10450	8309	24086	3699	9808	0	9151	10381	13780	10594	7486	20230	9326	8680	6845	14218	6797	0	15818	4698	Phytochemical	0.0	1.1111112	0.0
26	C18 H20	237.16377	237.16402	-0.101275966	237.16376	10461	11829	9239	11429	6960	4323	4080	13629	8928	2772	7013	9400	4293	8908	14653	15600	11024	5964	8676	0	5968	7784	6600	13950	9628	10354	5458	8066	12950	13400	9903	13145	10860	7671	5355	14041	11259	9579	12607	7121	4599	63626	0	0	0	5451	0	0	8821	11828	9342	9507	9981	0	6069	0	4314	16221	6490	3954	13770	3913	5485	5084	5222	7196	9075	13732	5916	8280	9096	9235	8548	12235	9926	18283	0	9588	15940	9466	6422	6587	5773	6135	7914	0	17743	8141	5279	17545	9225	10490	15342	8347	8408	0	10581	9590	12633	7911	6508	13840	8423	6389	0	10239	8352	0	13439	3270	Phytochemical	0.0	1.1111112	0.0
12	C11 H24 O5	237.16965	237.16995	-0.13031758	237.16962	0	0	0	0	0	0	0	1968	0	0	0	0	0	0	0	0	0	0	0	1990	0	0	0	0	0	0	0	0	0	0	0	4544	0	0	0	0	0	0	0	2318	0	0	551	379	397	1976	0	492	3842	0	0	0	0	718	0	1322	3108	0	0	0	0	0	0	5331	815	14899	3285	0	0	2663	0	1812	2556	1361	0	0	351	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	459	0	0	0	0	0	0	0	25429	0	0	0	434	0	0	Lipid	0.45454547	2.1818182	0.0
10	C11 H24 O5	237.16965	237.16995	-0.11777403	237.16962	10634	6585	8099	7306	8956	6155	0	16244	2111	8870	15064	0	7636	50960	0	10520	2228	6250	1457	22610	5617	3589	0	4197	0	0	1256	7792	6029	4778	4901	10457	4044	7877	6218	7032	6216	0	3472	28344	5204	13243	65658	0	369	22106	10259	1316	14895	7492	12605	9296	4800	9989	1762	8228	14328	12746	10209	2081	10544	15978	8468	3079	23260	16675	31074	3608	0	16749	9401	17247	1575	0	3832	2810	0	0	1071	19632	0	3234	0	1232	3570	9528	0	29305	1946	3861	15053	5041	5775	8788	12211	1185	9855	9655	4844	1444	4022	6629	0	22659	337417	3466	2829	1536	0	3986	Lipid	0.45454547	2.1818182	0.0
20	C15 H24 O2	237.1849	237.18515	-0.09722635	237.18489	228198	268721	225038	233657	163470	323722	1444858	119638	43845	125517	131171	57764	120032	1214900	77232	177070	159873	77467	148350	118739	89161	310554	74499	83625	109943	430964	1613475	194523	90504	95222	69500	99466	76535	82466	67195	100600	101075	90028	203463	80254	188431	387251	92934	12532	10949	112020	145853	29000	109762	96442	237044	244416	117405	27421	53983	269650	349402	204324	64207	198372	294618	72051	298224	47903	542716	148410	425466	191831	120772	180049	196525	71158	79214	109920	198903	121441	57287	49553	109136	443692	79314	208566	696710	1628669	117895	95231	175025	107459	279588	774018	580629	426488	441304	186514	275437	30098	224739	226643	382757	116530	154512	98557	55568	190966	106183	164988	104262	20404	116998	158490	Lipid	0.13333334	1.6	0.0
14	C15 H24 O2	237.1849	237.18515	-0.12772547	237.18488	9830	12173	11713	11203	18383	8701	15775	8050	3318	0	2935	3822	14234	19742	4624	11246	5071	6241	6605	0	2054	24401	3157	6417	7323	2492	16119	0	4138	5904	5783	7439	3068	5954	1892	6642	3797	5469	10253	1148	0	4077	0	1477	1381	3296	0	2551	7078	7073	12894	11152	10011	1959	3668	10245	7467	16483	0	0	0	0	8075	4742	7238	9282	12320	7477	0	0	0	7701	4872	6749	5925	5828	1365	4706	9257	0	5245	4957	13193	13236	15060	6615	15216	3809	4880	161699	18533	20458	63261	7516	6482	1641	10735	9361	8938	26479	29609	2568	5691	3007	0	16073	13229	1266	10972	4585	Lipid	0.13333334	1.6	0.0
12	C15 H24 O2	237.1849	237.18515	-0.12786382	237.18488	3632	4098	2707	1989	4457	3039	2323	2897	1253	0	0	1886	4291	4878	1070	5714	2372	1602	3163	0	0	0	2375	2665	2340	1927	6769	0	1897	2171	1766	1807	0	1728	0	1462	0	2293	2382	0	0	1142	1495	1245	1628	1458	0	2482	2833	3172	2873	1966	1921	1783	1784	4241	2345	3855	0	0	0	0	2292	0	2101	2866	5269	0	0	0	0	1177	2111	1898	2518	1421	1285	962	0	0	2278	1111	2381	2559	7959	3130	5172	1118	931	22553	4490	3307	8283	0	2259	972	4075	3662	3576	10855	12576	1677	1835	3009	0	3432	7164	1476	2627	1595	Lipid	0.13333334	1.6	0.0
16	C15 H24 O2	237.1849	237.18515	-0.14834334	237.18488	12913	18803	17551	10817	29810	14351	48678	15551	6651	1665	4261	8181	26778	38925	6859	22419	21654	13015	17361	5568	0	15719	5681	10545	9338	17663	43308	4125	7831	11636	8429	10761	9666	5917	4292	12008	7406	9127	20467	1708	3152	9032	3597	1809	2225	3158	4941	2635	13166	15107	15861	14518	14218	2137	3899	21907	12367	21375	2448	4597	13255	2254	15891	5378	17681	15718	30293	20804	2294	2578	4517	10187	9012	11240	16771	7257	2432	4188	16303	21250	7720	7783	62496	70863	26862	19189	28915	6276	10189	120636	16240	19939	33047	7465	11559	2265	11725	12257	19118	36163	48151	9328	6244	5486	4662	11276	27000	1709	18755	8910	Lipid	0.13333334	1.6	0.0
24	C16 H28 O1	237.2213	237.2215	-0.12082323	237.22127	7986	6319	2956	6008	2267	4953	72106	3312	0	3606	7777	3257	0	37488	4840	4564	8743	2377	2670	1881	1346	2071	2677	3295	3776	9571	87071	13824	2064	4357	1658	3342	2365	7255	1896	2650	3443	6388	8083	1893	12033	3587	15058	3552	6038	3434	8794	3951	2551	5727	4742	5599	2813	7529	1205	6496	7877	4232	2861	11327	7721	5268	7044	1491	40877	3278	6557	8701	2918	3027	6076	4215	0	5692	2405	5236	12100	3087	1884	17698	3544	9230	15457	22029	1945	0	5533	3954	3009	6546	17459	8387	3930	3018	5171	5224	4139	8183	8705	1314	0	3324	3519	6354	5761	1622	1503	4399	4506	4402	Lipid	0.0625	1.75	0.0
6	C15 H11 N1 S1	238.0685	238.069	0.6196986	238.06865	0	0	0	0	933	592	0	0	0	0	0	0	0	0	0	0	0	721	0	0	0	0	0	0	0	0	606	0	0	0	0	1151	0	0	0	0	0	0	836	0	0	0	0	0	0	0	0	0	0	615	0	0	656	0	0	0	605	0	0	0	0	0	1183	0	675	768	2118	1593	0	0	0	0	0	0	39334	0	0	0	0	0	0	0	0	0	0	0	0	808	829	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	946	0	0	869	Organosulfur	0.0	0.73333335	0.06666667
2	C11 H11 O5 N1	238.071	238.0714	-0.056896634	238.07098	10277	9993	7339	8968	22693	0	5547	9415	21103	4561	5584	7024	35431	11913	7097	4074	8328	24285	19002	4543	8302	11664	7757	8443	4852	2141	3737	2391	10340	5908	8403	7354	17918	9622	8161	7580	10648	5492	8478	5759	4870	13821	1568	2087	3180	5844	4207	2455	8118	4694	9283	9843	16649	2391	21058	15842	9798	10581	4944	5304	6259	3186	36113	21616	7053	30203	14325	9421	4257	3960	3555	8505	10759	6710	2842	8924	2021	5695	6235	0	5570	5662	4020	2627	12608	7161	6992	17744	16926	9998	4830	5645	13505	4154	4061	4801	9169	8883	12925	18435	17039	8487	9083	4551	4538	9708	10850	1967	5083	42583	Phytochemical	0.45454547	1.0	0.09090909
16	C11 H11 O5 N1	238.071	238.07126	-0.11242075	238.07097	22550	25997	20333	19885	30709	30385	21066	27265	26219	4268	8741	17134	25801	20903	21506	33932	29712	50129	37531	6420	5322	15061	22921	39287	22718	0	19650	8624	24300	18709	19827	20344	36522	24206	7974	20005	48380	25262	34093	6375	9513	26913	3239	3755	5187	8182	4166	4922	35236	15628	27628	19105	31787	3285	24772	18559	20248	37883	6210	7649	28085	2468	30444	26664	17155	32147	33904	28978	2380	1987	4176	25140	22056	13464	20758	23618	3799	15673	28834	13951	21949	7412	7491	2665	23437	20219	36411	33671	31013	48566	15099	16405	50166	7600	7334	4691	18546	20871	16289	15211	25374	34834	18324	11228	0	35432	16314	3510	24458	35558	Phytochemical	0.45454547	1.0	0.09090909
6	C11 H11 O5 N1	238.071	238.07137	-0.031777456	238.07098	70124	78929	63080	68482	123093	67264	39520	59471	140000	33654	35843	41254	189284	45931	41841	82039	69417	191819	172964	31184	49063	73359	55935	64477	26743	5953	40317	17661	53340	43030	57808	58506	95159	56997	48473	48417	85682	46427	99512	22775	39272	80147	3707	2194	2806	35318	36784	2472	68299	46675	71257	77973	106491	3440	147883	96407	62329	75971	28607	42135	76917	19276	190196	120384	47018	151072	82417	95226	15614	15515	20246	45234	46289	37375	37209	48537	2529	33482	51574	17089	36968	22809	23762	10625	97127	65288	61812	105756	113891	103842	24716	35506	109811	26438	30204	3331	65662	61887	72650	107213	108642	94766	45236	44208	12292	78557	94058	2206	33980	272669	Phytochemical	0.45454547	1.0	0.09090909
0	C8 H15 O7 N1	238.09213	238.09256	-0.005754354	238.09213	0	0	0	0	3296	0	0	3414	2458	0	0	0	11287	0	0	0	0	6945	2699	0	1605	1918	2117	0	0	0	0	0	6896	0	4068	0	13748	4271	1488	0	3252	1073	1155	0	0	1731	0	0	0	0	0	0	0	0	0	0	6207	0	2597	986	0	2724	0	0	0	0	18743	1759	0	5624	8968	1233	0	0	0	4137	3709	0	0	0	0	0	0	0	0	0	0	0	1412	0	1290	3381	3452	0	0	0	2142	0	0	0	0	0	953	1112	0	0	2096	0	0	2505	841	0	0	22977	A-Sugar	0.875	1.875	0.125
2	C9 H11 O3 N5	238.09346	238.09384	-0.13415176	238.09343	6128	6657	5286	7197	6394	0	2203	5362	3226	771	1270	3212	6535	25789	2464	0	5811	16788	7633	737	690	2605	2664	8203	2722	0	0	1722	13696	7633	8079	9081	11134	6792	500	6004	16832	2808	7205	0	0	4623	0	0	0	1191	326	0	13978	4038	6186	7081	7536	0	2596	2159	1832	33780	578	509	1722	0	12712	1844	4400	9286	12948	17178	0	1694	923	5820	5633	6762	729	3570	0	2597	2729	0	2607	0	0	354	5848	5061	2019	18555	10096	5021	2213	5266	4147	835	0	0	7101	5396	3025	3056	4042	5255	3203	840	0	9541	4324	0	3455	12432	Peptide	0.33333334	1.2222222	0.5555556
8	C9 H11 O3 N5	238.09346	238.09378	-0.042935595	238.09346	96178	88402	0	83401	3177	2304	6746	136799	824	1076	0	16825	2222	1787	78852	346721	8799	11109	1471	0	0	250926	545873	2351099	114869	0	8026	0	9378	28548	60648	1756	7013	3137	0	1329	9409	73102	8040	0	862	2177	0	0	0	804386	6416	0	27494	63809	91991	100429	3767	0	1141	2431	25625	250606	0	0	422535	0	0	817	1898	4977	12549	9117	0	10371	0	59115	2142	6342	2105	3283	0	17001	82097	0	606680	2802	0	0	0	0	4555	6089	3911	239465	0	0	589998	0	0	0	94495	101367	1585	1625	0	7779	19500	0	0	800754	0	0	159449	1204	Peptide	0.33333334	1.2222222	0.5555556
6	C9 H11 O3 N5	238.09346	238.0938	-0.04839317	238.09346	3731	3521	3100	2611	4349	2335	1772	4798	4422	0	0	3153	3453	2553	3039	9891	3944	15298	10196	0	0	3583	3686	26325	1415	0	1047	0	2727	1917	4874	2836	4765	2671	0	2877	4952	2416	6725	0	0	2866	0	0	0	4200	0	0	6414	3269	3274	4153	3524	0	798	1707	2058	15320	0	614	10103	0	3572	0	2117	3404	3050	5992	0	0	0	3088	2036	1174	0	2729	0	1794	3681	0	3279	0	0	0	3152	2394	4293	4153	4057	9278	0	0	10318	0	0	0	3199	3465	1284	2552	3191	2799	2502	0	0	9855	3693	0	3846	6852	Peptide	0.33333334	1.2222222	0.5555556
12	C11 H12 N5 Na1	238.10632	238.10658	-0.19904852	238.10626	323842	424120	377482	381531	261534	213656	322127	337404	221737	236097	161884	198303	191194	137296	236596	603805	381851	381312	383324	303156	265131	481227	247908	480953	247309	96083	342301	208752	305235	364991	295937	478299	473551	399326	258983	354000	552450	231977	486609	256612	311755	284244	11646	10512	10441	209118	216424	10872	499944	334363	389491	400474	290582	10245	271143	128682	163407	545207	178659	193110	508766	134251	215490	208542	117847	283409	222979	454945	94733	161788	169092	321303	340491	320495	457794	362262	6602	225041	245258	240574	205758	153453	194086	136107	140915	152206	306620	328094	290380	627149	418564	395827	680937	180384	359061	12784	388709	376596	149760	130992	131775	558128	230659	300468	72536	423123	194241	9847	249491	320559	Unclassified	0.0	1.0909091	0.45454547
6	C9 H19 O6 N1	238.12851	238.12881	-0.20455612	238.12846	1056	1817	1804	1722	0	1186	1199	0	616	1470	1803	608	0	680	582	0	1361	1828	0	0	1128	0	0	0	0	491	0	4863	1022	0	740	0	0	917	2126	1198	1101	789	1201	1791	1975	958	765	737	764	2219	4190	556	0	909	1306	1852	828	1468	858	1038	1050	0	4874	1540	0	3185	0	4139	2826	1749	770	0	0	0	0	778	699	2479	0	1266	1022	1162	552	0	799	822	444	0	1215	2723	926	890	569	0	0	0	0	1501	0	759	0	1393	2125	603	1994	1283	612	1607	230840	0	995	587	559	0	A-Sugar	0.6666667	2.1111112	0.11111111
20	C13 H19 O3 N1	238.14377	238.14401	-0.10835291	238.14374	17066	19385	20830	12945	12425	18870	22845	24012	8267	12223	15263	15184	7983	16342	19136	36956	23000	21629	15796	20077	18373	13933	12882	18122	18485	0	15950	15157	34424	24777	21164	29400	49669	41086	13070	32548	38775	13117	20573	9813	9854	22522	3301	3250	3084	11428	10681	3385	33196	16971	19167	17132	17295	3297	9875	6243	11394	42468	10131	14737	38297	6900	8508	8663	8753	18616	21483	16998	2508	0	0	22024	22065	21840	21467	25182	2770	12803	11379	18391	6581	11099	11757	0	4929	10854	19364	26854	26195	21913	34717	28253	29003	11753	12361	3701	17477	15879	6576	6990	5432	40856	19293	16696	9953	33346	8765	3996	19091	11163	Lipid	0.23076923	1.4615384	0.07692308
8	C13 H19 O3 N1	238.14377	238.14409	-0.13939592	238.14374	115673	114869	72247	108773	46730	255387	110642	100681	33085	80351	45543	54112	47697	23502	46232	120607	319227	69211	93625	109016	121634	136920	53669	146062	72172	79357	122958	49906	144058	80100	86793	168558	206844	155711	143883	99365	203696	44786	387844	89421	121707	113847	2987	2472	2692	92765	88351	2331	197028	69411	103475	117770	69262	3279	36864	22179	44320	141946	28795	64933	120211	55906	38084	36709	27681	62427	72941	409717	60457	80794	105012	88580	102159	68672	167990	111824	2278	53753	65605	52210	47240	55568	54139	72281	30099	35228	80491	106356	91446	209264	78191	101344	186069	75785	110518	3912	111929	101413	28439	25836	30157	166456	49128	76755	23831	132616	34195	2081	85872	54939	Lipid	0.23076923	1.4615384	0.07692308
26	C10 H23 O3 N1 S1	238.14714	238.14723	-0.15514456	238.14711	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2096	0	0	0	0	0	29219	0	0	0	20960	0	0	0	0	0	0	0	0	0	0	0	0	0	2752	2479	0	0	0	0	0	1719	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7847	124624	0	8470	0	0	0	0	0	0	0	7444	0	0	0	7619	0	0	2034	0	0	0	0	13571	0	0	0	0	0	0	0	0	Organosulfur	0.3	2.3	0.1
0	C10 H23 O3 N1 S1	238.14714	238.14738	0.5095585	238.14726	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34123	0	0	0	0	750	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1261	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56289	0	0	0	0	0	0	0	0	0	0	15681	4791	0	3106	0	0	0	0	392	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.3	2.3	0.1
10	C12 H19 O2 N3	238.155	238.15518	-0.09170785	238.15498	1949	1710	1096	2503	804	0	875	0	0	1832	0	1212	0	0	0	2279	1867	1981	2112	0	0	2683	0	0	1690	0	1710	0	1048	1479	2335	1147	1827	1553	1995	0	1795	1016	3023	2255	1530	986	0	0	0	0	1971	0	1140	0	2074	2292	834	0	0	0	0	2685	0	0	0	0	0	0	0	0	0	1943	0	0	0	1213	1529	0	1695	0	0	894	1666	0	923	626	958	0	0	0	1850	0	1006	4469	27735	6895	1683	0	1825	0	1434	0	0	0	0	1552	1386	0	0	1686	0	0	1580	0	Peptide	0.16666667	1.5833334	0.25
6	C12 H19 O2 N3	238.155	238.15533	-0.14459927	238.15497	8617	8288	7678	7567	2546	2893	6007	8132	1345	9611	4241	3804	1475	1000	4557	12099	8153	3792	3570	12580	13590	16771	5069	11372	7608	3300	5362	3098	9066	7471	6152	7271	9646	7696	11911	7379	8393	4276	8916	8596	9008	2856	0	0	0	8457	9297	0	7574	6093	9679	8849	3012	0	2650	674	2263	14344	0	1383	10187	5031	1452	1620	1345	1608	3448	10997	2053	7193	5363	8456	6179	6598	7905	7947	0	4390	5113	5648	4674	2499	2463	9243	0	3109	7569	4023	4412	53411	17135	3861	41171	9375	14483	0	9704	8394	1250	528	561	9189	4298	8422	0	13532	980	0	7948	1954	Peptide	0.16666667	1.5833334	0.25
0	C10 H23 O5 N1	238.1649	238.16528	-0.3869576	238.16481	0	0	0	0	4180	0	0	0	5112	20959	14801	0	3020	29290	0	0	0	1988	1700	0	1207	1552	0	0	0	0	0	144689	0	0	0	0	766	0	29953	0	0	0	0	4298	0	7254	0	0	0	1528	2332	0	0	0	0	0	1898	0	3037	0	2823	0	7369	0	0	4631	0	1514	2364	3931	21962	0	0	0	0	0	0	0	0	0	0	0	0	241703	0	0	0	0	0	0	0	4459	3702	0	0	1686	0	50624	7355	0	1954	0	371	0	0	0	0	0	93525	0	0	0	0	2337	Lipid	0.5	2.3	0.1
16	C10 H23 O5 N1	238.1649	238.16539	0.018712968	238.1649	0	0	0	0	0	0	0	0	0	0	0	0	1826	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2879	0	0	0	0	0	0	0	3841	22058	6398	0	0	0	0	0	0	0	0	0	315	0	0	0	0	0	0	0	2370	1131	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2736	0	0	0	0	0	0	0	0	0	Lipid	0.5	2.3	0.1
8	C10 H23 O5 N1	238.1649	238.1652	-0.1264347	238.16487	1307	2528	1697	2257	40837	4971	642	2027	1161	1501	1872	0	3249	5779	1211	1162	0	1789	3231	1525	1486	2048	0	1292	0	632	2147	3466	0	983	938	1658	0	1177	0	0	1529	0	822	1891	981	5040	6589	477	853	2510	1633	545	1555	1021	2595	1247	19066	1760	1319	1088	2409	3032	2408	1956	0	1928	29049	817	0	4808	7572	1905	0	1642	0	1280	0	802	0	833	784	584	0	11896	0	514	643	0	1169	0	0	1792	1101	0	0	0	1945	1293	2482	623	3563	3995	4206	645	0	0	0	3565	11617	1081	13111	562	0	1274	Lipid	0.5	2.3	0.1
18	C14 H23 O2 N1	238.18016	238.18037	-0.12141779	238.18013	6700	9090	7599	7355	4023	2572	2970	2847	0	13558	9183	2358	2923	5390	1607	8676	10696	2475	0	15388	19106	7765	0	3997	4132	25454	3904	12423	0	3080	3255	2292	4334	6444	12001	3558	3219	1569	11352	10856	22612	1578	752	0	0	28041	47444	474	4974	3839	11945	9464	2964	865	0	0	1502	7594	0	11161	5214	6349	0	0	0	5121	1809	8371	17685	12357	28938	2528	4815	5514	6864	0	1168	1894	3827	18111	1365	17226	3965	14204	1900	1778	136633	4668	2410	55676	15154	17645	5062	11865	14704	0	7657	6809	2604	2073	3429	5361	1290	8261	14084	9735	4456	0	3743	3667	Lipid	0.14285715	1.6428572	0.071428575
20	C14 H23 O2 N1	238.18016	238.18037	-0.12255745	238.18013	11228	13354	7842	9997	3826	4735	9162	19245	0	16736	10026	6558	0	6525	3588	16112	20829	4273	2589	25768	29019	11211	3786	10427	3697	25145	8360	13327	18002	14623	11780	17441	16715	20404	13469	21904	18208	3835	26909	14978	27942	8668	3386	637	0	38343	62471	561	21260	15924	11365	12186	4131	3107	0	0	1517	14921	7842	19651	11098	7502	2765	0	3793	6424	6573	25931	19971	16977	33482	18096	19066	16390	21197	15810	1306	4572	4774	24848	4338	25902	12278	11893	1523	3421	11814	8282	6434	34754	19009	19004	14127	13499	21719	1393	12293	13911	2416	0	2624	15354	6726	10318	30964	14197	3316	0	7331	7546	Lipid	0.14285715	1.6428572	0.071428575
12	C14 H23 O2 N1	238.18016	238.18044	-0.17950688	238.18011	5452	5034	5227	6809	4110	1639	2552	5840	0	10491	6524	3680	0	4138	1130	6482	6111	1768	2106	13424	24564	0	3209	6581	1825	5769	2940	0	5723	5406	4899	6827	7790	4720	19141	8095	5379	2743	7552	9225	8336	2486	2210	0	0	5025	6262	0	7964	5974	5380	3798	2916	328	0	0	813	5773	0	0	0	2779	0	1268	1205	3534	1577	12025	0	7719	7144	6655	5190	2881	5987	6888	0	2904	3591	0	2707	1838	1297	6536	1919	1434	6909	2111	3817	9970	11410	0	7141	4499	7416	0	5937	3569	0	1029	0	9792	2336	5373	0	7772	1475	0	4646	1676	Lipid	0.14285715	1.6428572	0.071428575
8	C14 H23 O2 N1	238.18016	238.18048	-0.11088671	238.18013	67147	70411	66776	62122	21581	17805	37072	103644	10556	77379	39519	43238	12833	7805	33523	176974	54261	19513	34772	84965	84079	74874	58506	557963	87448	18065	49946	31443	42935	45432	61419	57528	48517	64666	94530	38955	54308	48417	62308	55763	20037	17540	0	0	0	119814	47090	0	66507	98787	47423	69221	23609	0	19705	5822	11324	161389	0	2175	148925	19510	9224	16067	12708	15225	17805	95359	14859	30120	26003	92412	44351	34754	43868	44847	0	35654	70294	56166	58962	5459	3250	39175	6787	7950	84020	30002	40765	295843	89476	13902	292233	44298	72512	0	64414	58623	12408	8151	8434	41901	34675	42712	19697	201651	12124	0	115920	15136	Lipid	0.14285715	1.6428572	0.071428575
10	C14 H23 O2 N1	238.18016	238.18045	-0.08835148	238.18013	11821	8113	11122	11569	12965	4110	4520	8975	3300	24392	12068	6494	3778	13427	6834	14615	7101	4610	11054	27505	32442	14214	4699	17056	5674	13468	9764	12201	7386	7259	7736	9981	12681	5630	37305	5214	11497	8052	8741	20225	11459	3408	0	0	0	7816	9583	0	12455	8621	8158	7953	5257	0	3580	3198	2168	19171	0	2028	13597	5745	4625	2964	3049	5537	5021	8534	11818	14434	18588	8711	8408	6943	9215	6964	0	6449	5238	6638	3929	672	0	12284	1457	1420	9790	5535	5376	17844	21892	3811	20120	10132	17898	0	9773	9453	4201	2101	2881	7275	4607	7472	0	10431	4580	0	3934	3585	Lipid	0.14285715	1.6428572	0.071428575
10	C15 H27 O1 N1	238.21654	238.21684	-0.06574084	238.21652	2171	5128	4739	3569	0	0	2790	4103	0	3176	2326	1419	0	0	1759	18404	1437	0	1153	5921	5660	0	1485	4860	8131	4784	2321	0	4182	3414	46920	5585	3420	4288	5654	4739	2022	1934	1119	4386	0	1064	0	0	0	2148	3007	0	5089	3590	3666	1922	0	0	0	0	934	8002	0	0	21194	1119	0	0	869	2494	1545	5026	0	6418	6317	9473	3801	2701	2652	3630	0	2411	2479	0	2665	0	0	2974	0	667	6337	2894	2410	16095	22860	0	5374	3857	8655	0	4597	2650	0	0	0	1242	2213	0	0	7628	0	0	2610	0	Lipid	0.06666667	1.8	0.06666667
24	C15 H27 O1 N1	238.21654	238.21674	-0.05864049	238.21652	2268	1745	1435	1751	0	946	0	0	0	2078	1810	0	0	1243	0	1245	1545	0	0	0	1272	0	0	0	1352	24405	0	2458	1520	1154	0	0	0	0	0	0	0	1091	1628	4067	4591	3003	2036	0	0	15624	21640	0	1702	2620	1346	2154	0	0	0	0	0	1590	0	3027	2850	1544	0	0	0	0	0	1425	20577	11793	20929	0	0	0	0	1716	0	0	0	2770	0	10381	1828	3987	0	0	2369	1238	974	3931	1929	0	1582	1729	1567	0	0	1679	0	0	0	0	1159	1612	11809	24198	0	0	1276	0	Lipid	0.06666667	1.8	0.06666667
12	C15 H27 O1 N1	238.21654	238.21677	-0.23044285	238.21649	0	1715	0	0	0	0	0	2449	0	2830	0	1385	0	0	1086	5894	0	0	0	3021	6863	0	0	2313	3555	2833	1398	0	3107	1253	5279	2095	4474	2952	4604	3414	1947	1767	0	4944	0	1653	0	0	0	0	0	0	3672	3835	0	2023	0	0	0	0	0	6530	0	0	0	0	0	0	0	0	2138	4976	0	3858	3772	1217	2261	2427	2406	2655	0	1095	2318	0	1049	0	0	5232	0	0	7958	0	2340	23608	21454	0	3582	0	3546	0	2137	0	0	0	0	3942	1363	0	0	6539	0	0	2497	0	Lipid	0.06666667	1.8	0.06666667
14	C15 H27 O1 N1	238.21654	238.21674	0.004627322	238.21654	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4996	0	0	0	0	0	0	0	0	1679	0	0	0	1381	0	4838	0	1369	0	0	2253	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3811	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6535	0	0	11291	22810	0	2083	0	3574	0	0	0	0	0	0	0	0	0	0	1997	0	0	0	0	Lipid	0.06666667	1.8	0.06666667
16	C15 H27 O1 N1	238.21654	238.21634	0.19880462	238.21658	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1241	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9935	0	0	24055	10312	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.06666667	1.8	0.06666667
6	C15 H27 O1 N1	238.21654	238.21687	-0.13491073	238.2165	4962	5882	7343	3904	2121	1610	5850	11486	0	7460	3531	9250	859	3544	5628	19040	4010	2106	4873	7477	8222	1031	3806	10622	4290	12735	8744	5521	5776	7566	11344	6851	5228	6865	9423	6222	4760	3428	3641	4592	507	905	0	0	0	3194	3904	0	6405	15818	4985	5066	2627	0	1104	0	676	7359	0	0	16209	1636	1140	0	708	1797	2981	7243	5170	10548	11139	11093	8676	16076	5489	7557	0	4532	4246	3298	4765	0	0	4644	0	1133	4921	2437	3465	11302	31357	0	12004	2789	11579	0	6421	5610	404	0	0	5663	10439	2475	0	10286	0	0	2518	779	Lipid	0.06666667	1.8	0.06666667
16	C11 H10 O4 S1	239.03726	239.03752	-0.059905834	239.03725	6130	6185	4655	7143	15836	14657	2391	2324	10882	5785	4861	1533	23081	9486	4136	7066	3726	24610	16283	3290	3770	5303	2151	2963	7673	0	1710	5199	5548	1952	2462	0	5863	2197	8042	2533	5597	3490	4310	4883	3536	7885	526	0	424	1871	0	466	2876	0	7784	5248	14844	0	7936	8044	3965	9803	2924	3981	0	2201	6770	7120	5326	14273	10032	4978	0	0	0	0	2445	0	2329	1459	322	2163	2448	10535	0	3014	2940	2409	9027	6353	6250	12376	11489	0	18438	23002	0	8374	9343	479	4793	6957	9391	6594	7437	4855	2163	3674	0	0	6413	0	4043	14682	Organosulfur	0.36363637	0.90909094	0.0
10	C11 H10 O6	239.05501	239.05533	-0.05450826	239.05501	87626	75980	69807	67518	257553	145240	39106	40050	269817	36030	36897	38359	455685	164944	44804	49132	45192	332536	281647	35136	40804	41020	61272	43190	23857	3933	38328	18729	41730	37671	42344	42575	81309	42821	50216	39221	77723	41966	49085	20311	28516	90456	9549	4284	8299	23535	15474	7632	47790	32511	83268	76223	173254	6396	261159	196053	81082	63226	23680	23364	45359	13140	360519	254771	78250	326275	106017	51239	15954	10180	13124	38638	33242	32891	56228	39551	5546	33640	58992	33207	50113	19622	13170	7055	249918	105374	60391	95811	118723	37591	33121	37378	39537	28427	26362	8003	77193	85014	160790	243917	228216	73292	41587	26827	14589	42164	169707	6585	27909	456273	Phytochemical	0.54545456	0.90909094	0.0
12	C11 H10 O6	239.05501	239.05531	-0.07070527	239.055	75150	81246	78509	76430	209654	131901	50562	41012	226376	29969	32586	36172	326408	165807	53959	47842	40305	286005	248113	27357	34738	52006	65748	38163	30540	6124	75351	19520	47176	39585	48088	44918	80243	33036	40455	36661	76277	48123	37270	20751	20759	77174	9508	4885	9054	27130	19175	7981	46117	39342	79630	81169	157190	7298	258587	142315	76759	52976	19145	17851	58773	16451	366275	206963	61807	293620	94246	44031	0	13268	14611	31945	37465	34581	34611	35792	5222	44307	61494	24032	56405	22185	15794	9207	170117	96247	72188	81540	117979	36540	39703	51716	42339	26578	26447	10061	86839	84440	135707	170005	163245	71440	45455	21696	0	45921	130985	6397	27744	406800	Phytochemical	0.54545456	0.90909094	0.0
16	C11 H10 O6	239.05501	239.05528	-0.083904065	239.055	32526	32953	31628	33075	69471	52935	22921	21378	69997	14544	12361	20682	120298	65328	31043	23938	17553	107345	80996	11887	18151	22817	31460	25436	20141	5246	15563	4357	19258	23690	31633	26077	30129	19180	19630	21997	33702	25329	19705	10575	10243	32077	6289	5180	8249	14906	11041	8658	28307	21656	33458	34812	55778	5094	65526	50474	32620	25980	13228	9343	32506	6402	101555	58475	27715	88974	39062	22066	9692	9662	6859	19993	16951	17453	14318	27216	7789	21468	38250	15886	33379	15770	11518	5907	60028	36609	29222	37809	41008	0	19419	18447	0	13475	15654	8219	31657	31839	41627	58256	73751	26830	20931	12038	9801	22629	50121	5240	18324	111112	Phytochemical	0.54545456	0.90909094	0.0
4	C11 H10 O6	239.05501	239.0554	-0.081961654	239.055	13475	16311	10529	15473	37727	14027	7397	6819	37160	5939	6435	6989	61080	22633	6166	6952	10250	36876	38700	7131	7830	12741	12004	8346	6153	3822	7121	3356	8473	7226	8620	6884	14096	7706	11744	7864	9730	6886	10729	6939	6384	16469	3480	3099	6838	8072	5497	6148	7029	6001	12723	12218	24764	4980	31188	41884	16044	9365	6552	4577	9924	3279	62040	33705	14627	43311	12963	8342	7850	3711	5535	6692	6539	9351	4455	10849	3621	7366	9627	0	11873	7116	5965	3480	40611	16793	9467	17254	21355	7177	5183	4989	8877	5108	5827	9507	11884	14784	34583	62442	62475	11836	8193	6324	7943	7190	30168	3735	6163	64320	Phytochemical	0.54545456	0.90909094	0.0
18	C11 H10 O6	239.05501	239.05527	-0.09292472	239.055	16623	15076	16739	18691	35385	27706	16496	15082	26284	11730	9884	9956	62538	30492	18394	14368	9295	42337	41872	5931	5371	16105	22999	14364	11541	1947	13169	3315	10408	14178	20594	18977	23556	11163	14559	13109	19804	17500	9932	6960	7745	14289	6393	4188	8219	8050	9443	7138	13087	11363	22491	19467	32632	4434	42783	33774	19417	20362	5991	7344	12420	5971	54379	36963	18945	43225	21021	12236	6170	3798	3640	9869	7603	10692	9584	13013	6501	11758	27507	6955	22912	10957	4680	4447	32748	26870	28470	21277	19477	14605	11807	11527	14514	6638	10299	6800	19261	14054	25277	36223	44694	14195	15243	11740	7684	13357	19028	5311	13914	50361	Phytochemical	0.54545456	0.90909094	0.0
8	C8 H14 O6 S1	239.05838	239.0587	-0.11568082	239.05836	1045	853	1369	0	3789	1073	0	1274	0	0	0	0	850	73514	0	0	0	1492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26828	0	8070	0	0	0	47061	0	0	0	1070	0	0	3228	0	671	0	0	0	1830	0	0	8728	0	12406	0	3415	14211	0	1393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	680	1548	0	0	0	0	0	0	0	1554	2622	0	0	0	0	0	0	0	0	0	0	1350	Organosulfur	0.75	1.75	0.0
8	C10 H10 O5 N2	239.06625	239.06659	-0.01748208	239.06624	21730	23029	21498	20503	31401	25589	10352	18869	33497	5960	4578	19285	41994	13245	16914	31525	30460	46612	48611	6876	7860	23377	27373	25546	13861	484	13886	4645	16712	11447	17060	15163	31256	18566	14802	15081	32330	19986	41671	5355	6567	27504	447	446	387	7692	4680	498	21336	15847	21437	22893	37413	280	43350	19737	17368	22602	9943	10905	26728	4538	52218	41351	20189	39283	31159	37285	0	3265	2114	17189	14884	10516	18742	13905	509	12089	23921	3885	16801	5403	6481	2470	23692	15347	26775	38652	37305	50064	0	13144	53053	6303	4693	654	20484	19515	24399	23579	19836	29123	17286	12548	0	34730	22721	0	16698	73372	Peptide	0.5	1.0	0.2
10	C10 H10 O5 N2	239.06625	239.06656	-0.04807427	239.06624	26242	24838	18815	21874	27341	23915	19253	25913	22856	6004	7002	21295	30275	14111	18215	46650	40053	36434	34086	5053	3677	28121	22120	41721	14758	0	25673	5099	20626	18473	24320	30735	48105	36924	8358	20714	39436	19612	52131	2953	4657	25801	649	0	654	7146	3193	794	30759	18386	19977	23966	24850	747	23081	12504	13787	56373	4558	5171	52053	1742	31007	22228	14768	28238	27030	44255	0	4173	2502	31650	21815	13740	24305	23936	0	16991	27415	9890	20059	4845	2737	0	17475	13862	30468	38616	35671	73824	10894	14066	64130	4628	3643	816	28442	19571	12552	16052	14490	34308	17847	6094	0	51296	14037	0	19271	49421	Peptide	0.5	1.0	0.2
6	C10 H10 O5 N2	239.06625	239.0666	-0.020439493	239.06624	21072	24703	19467	20159	32820	22095	11064	18144	34646	4608	6761	18307	41039	11525	14752	26808	27907	51878	51683	7477	8443	19667	20173	23551	9736	0	11446	0	17479	11994	16811	18547	33491	18343	9069	15676	29192	18396	31670	4649	5647	26666	752	387	368	7572	5430	348	16554	14390	21036	21844	32697	623	35899	19715	18527	24804	5624	8755	24811	2071	57154	31890	15337	38193	30979	39283	0	3144	3742	13110	13318	13498	15767	15263	403	11857	16959	3731	10539	3988	4249	2282	22761	16682	18666	37988	35783	50685	4414	8274	42695	5617	3695	721	18863	21412	17816	21104	21430	29010	18699	9112	0	33847	21973	399	9304	86362	Peptide	0.5	1.0	0.2
4	C10 H10 O5 N2	239.06625	239.06664	-0.059674982	239.06624	9251	10094	8841	9617	13291	8851	3543	8613	15631	2233	3171	7762	17579	6210	6141	12091	12181	23914	22340	3854	3288	10974	8901	11203	3668	345	4390	0	7442	5309	7577	7257	11342	6849	4026	7105	11389	7019	16195	2798	2089	18515	882	302	651	5239	2746	593	8105	7578	9710	8130	15736	639	15074	9982	11044	10948	2624	3553	11606	1669	22189	15203	11559	17075	12737	9636	1180	1716	2021	6951	6306	5424	5633	6376	289	5050	6927	0	5820	2200	1897	753	13829	9194	7544	20071	18985	13910	4159	2596	18903	1453	1467	1044	6522	8798	10990	11080	10752	10446	7325	4983	0	10717	10116	415	6377	38848	Peptide	0.5	1.0	0.2
12	C10 H10 O5 N2	239.06625	239.06654	-0.037998293	239.06624	10623	13011	11466	7123	6676	10262	8817	9996	8981	2306	3451	10236	9770	4795	11617	18423	14140	17460	10917	1981	2221	12441	15751	14141	7995	0	7678	0	9868	9866	9202	8913	11825	11373	1733	7047	15149	11981	18949	1832	0	11571	439	359	581	4032	0	470	14532	7798	11012	8958	10781	331	8538	3389	6680	17507	0	0	0	0	11830	8410	8320	14407	12238	14063	0	1317	2272	10394	9430	5926	12850	7416	353	6966	13892	0	10569	1473	1633	0	5040	7915	14063	15261	10964	33904	6861	5597	27666	2939	3098	781	9008	10420	5976	5791	5435	14084	10807	0	0	19132	7083	528	10279	18147	Peptide	0.5	1.0	0.2
20	C15 H10 O3	239.07027	239.07051	-0.11622424	239.07024	18047	15364	17306	14036	16130	12117	21274	29897	10770	4286	9320	24035	9757	16388	20713	43000	40987	26249	41362	9092	6856	19977	28670	52632	22960	5943	41582	8094	25174	26474	16814	17946	19655	23070	9232	20008	20733	22847	33932	7872	5524	21886	3657	2806	1576	12972	8297	3819	21460	24774	19222	18017	18177	2606	7119	4719	13156	40271	2548	9294	40932	2440	12317	8546	16668	22409	33757	38153	5600	3444	6030	22430	17977	11295	19477	23033	1797	22066	38035	21736	31277	8594	7267	0	14760	14049	51328	34813	26244	103937	10479	8397	47391	8504	7544	3566	17734	20476	10351	9135	10526	21728	23494	7868	8381	35912	9563	2251	36160	11748	Phytochemical	0.2	0.6666667	0.0
14	C15 H10 O3	239.07027	239.07056	-0.052381054	239.07025	8910	5794	6866	8024	6113	2011	3462	7653	5570	7382	6531	7190	6984	3469	6644	9530	4521	3687	7626	6989	6610	9958	8419	8642	7185	7423	3808	0	6287	3350	4336	0	6294	2880	13322	5844	6257	6490	8273	5023	5203	3980	0	931	876	7389	4365	1103	6451	5719	7479	7453	4024	806	0	2056	5374	15308	0	6198	0	3043	8390	3661	3748	9056	4367	9154	0	6352	9049	4591	2092	4319	3818	4686	1023	3130	9441	0	8509	7012	3966	3516	4110	2941	6997	8676	5129	21660	6274	7841	19374	6175	10184	1454	4998	7449	7843	5409	6350	7826	6955	4613	0	9315	3424	993	9407	4050	Phytochemical	0.2	0.6666667	0.0
18	C15 H10 O3	239.07027	239.07051	-0.1067819	239.07025	45070	50324	42439	41408	18441	17975	31390	105085	9501	13879	14905	56208	14323	22767	52486	173882	71442	70373	106246	15157	14998	55810	72543	189907	47657	8204	33002	11348	53442	50558	54715	48910	44825	44924	13840	38459	30213	47068	77568	10295	9079	35633	4381	1211	1908	38583	17279	2383	71415	86461	40146	41331	31775	2606	9262	11245	22430	142048	12471	15925	158148	6138	14830	11321	23216	32201	61960	98363	12526	7985	11969	74687	27001	23468	51054	53943	1357	50457	98786	31597	67972	24450	10693	5696	19359	26670	128032	71190	79375	370032	35602	18532	172035	14759	14277	4166	47782	42109	13454	11654	9661	39663	47931	19762	6998	111176	11190	1690	93942	14969	Phytochemical	0.2	0.6666667	0.0
22	C12 H14 O3 S1	239.07364	239.07387	-0.035442	239.07364	3694	5368	5572	4806	5535	7703	5493	1534	2253	4204	2340	0	3523	0	3391	6062	2665	6010	2275	5242	4110	13010	2068	5036	10093	0	3357	7437	2158	1607	1600	0	4348	1229	3699	2662	4179	4594	4106	5694	4062	6156	0	0	0	9860	10439	0	2323	0	5595	5573	5961	0	2963	1733	4179	7310	4809	4388	5433	3272	0	1646	2843	5364	7081	5268	1420	0	0	2056	0	0	1019	1483	0	1350	4759	14945	2072	12216	6896	4077	1746	6390	11199	5043	4634	15606	32858	33969	6915	6321	12096	0	4243	3536	3186	1761	0	4122	2030	10740	11350	8935	2070	0	6796	3388	Organosulfur	0.25	1.1666666	0.0
20	C12 H14 O3 S1	239.07364	239.07391	0.02391748	239.07365	8087	7185	9084	4988	8480	12562	1941	1981	7542	15330	10013	1286	8425	7465	4007	3204	3210	19588	11262	19872	18673	19559	1377	2975	6498	1658	3684	17809	4670	1653	1632	3960	6302	3336	9720	4375	5011	3844	3366	16001	9379	7493	856	0	0	10223	16986	0	3234	1656	4926	4521	9435	0	3416	3386	2140	10973	10635	11638	5846	8026	4181	2355	3193	4716	7616	6064	1280	0	2473	1304	0	0	1910	0	0	1933	3118	21457	2775	8716	9802	8511	5345	4728	5789	7301	8959	6252	48483	54387	4043	21262	24334	0	10941	8361	5354	4137	4083	5310	1703	21314	12320	4085	6197	0	3649	7057	Organosulfur	0.25	1.1666666	0.0
10	C9 H10 O4 N4	239.07748	239.07777	0.014492742	239.07748	0	1765	1095	1327	9663	1952	835	0	1291	0	0	0	4117	34162	1155	0	1382	1767	3064	0	0	0	0	1863	0	0	0	0	998	0	0	0	0	1094	0	0	1207	1222	0	0	0	6854	0	0	0	0	0	0	0	0	0	0	7958	0	0	1867	4465	1522	0	0	0	0	0	0	2552	4983	7815	2715	0	0	0	1473	0	0	1351	0	0	0	1517	0	1837	0	0	0	1260	986	0	2146	1802	2762	0	0	2672	0	0	0	1664	0	0	791	0	0	926	0	0	0	3625	0	1278	0	Peptide	0.44444445	1.1111112	0.44444445
16	C14 H10 O2 N2	239.0815	239.08174	-0.073676065	239.08148	5453	5500	6426	7665	4183	2512	8501	9675	0	0	2345	6532	0	2503	4151	20714	15121	5243	7433	0	0	7866	6234	21873	4883	0	6307	1762	6922	7132	10354	5888	14935	7896	0	4044	9491	7767	20053	0	0	6379	0	0	0	2850	0	0	13691	12292	6412	4669	3466	0	0	0	3136	15752	0	1435	18145	0	2601	1184	2087	3078	6214	18389	0	0	0	11992	5500	1953	12831	5769	0	4413	12774	0	11922	1573	1082	0	3087	2528	17624	9892	6954	72742	0	0	0	0	0	0	10301	7853	1559	0	1508	8450	5943	0	0	19864	0	0	15657	4509	Unclassified	0.14285715	0.71428573	0.14285715
12	C11 H14 O4 N2	239.10263	239.10292	-0.14395174	239.1026	177115	193573	174558	177765	88540	245799	184264	238122	125129	29092	40182	108822	49276	106375	206106	328009	103073	185567	216547	37572	29818	124234	128523	248035	229861	6302	157525	47317	316676	235339	371956	298258	412462	298227	41816	259109	296393	215543	139354	26374	32741	276713	2219	3350	3263	58957	20858	3715	435276	194582	161992	168504	198586	3577	91965	25810	180857	359150	22342	31162	303410	16124	57659	105711	197150	113919	280048	140271	0	31971	23132	219071	177687	150530	135300	202959	1636	185656	156325	68611	169152	32032	33980	15648	49428	233577	209620	202513	312831	213890	79854	73894	279453	27482	29368	5801	163913	188039	67093	23321	30421	295126	165735	45552	0	245425	60704	3207	234050	108833	Peptide	0.36363637	1.2727273	0.18181819
14	C11 H14 O4 N2	239.10263	239.1029	-0.092089996	239.10262	32788	28633	24864	26354	24698	25033	30192	35066	15020	12719	10087	24364	19236	11745	23503	42010	36586	22112	23768	6225	5683	24808	22033	33416	26491	0	28494	13147	40834	27739	39293	56149	51724	63320	17841	39888	57495	23971	38166	10801	9621	26833	0	2574	2634	13860	7881	3509	58744	32515	33820	30365	25164	2132	13556	7605	21125	59192	7732	16512	30460	8813	12856	18125	10892	24701	20487	43070	0	2627	5805	47474	50883	36485	30603	44106	1937	26114	21967	0	18951	8708	19011	7706	8850	11847	27531	28892	36369	55675	46963	28550	55061	8108	12093	3527	29019	22884	10303	10616	8048	38453	30570	14947	0	47910	14670	2717	29373	24904	Peptide	0.36363637	1.2727273	0.18181819
20	C16 H14 O2	239.10666	239.10689	-0.10033218	239.10663	45029	45092	41208	41769	43182	27416	32167	54461	23868	40327	36405	41371	32620	35884	48749	65962	48438	45591	55209	53009	54250	53322	41060	95276	47174	40780	38464	40517	57098	49000	37156	44046	45819	36518	50724	36275	53703	46006	50898	41128	48102	37639	5418	2289	2363	38327	34878	2786	53707	46459	42168	37906	35754	2920	27142	26524	23529	62996	28451	39097	58576	20250	28599	24892	25706	40626	39735	44693	34464	45483	47264	39828	39610	39272	38521	42524	1615	30147	52032	48373	47680	25873	32374	29926	32257	25736	51405	46369	39338	66707	61943	50486	77176	44553	45028	4904	40923	39315	30394	30620	33105	53993	44478	57703	22293	54048	27923	2707	46888	24985	Phytochemical	0.125	0.875	0.0
22	C13 H18 O2 S1	239.11003	239.11021	-0.041692074	239.11002	8527	5729	4450	4296	2339	4316	1664	0	1653	16052	15592	0	0	0	0	0	2745	3923	0	22080	17392	12102	0	2202	5045	0	1271	22829	1580	0	0	0	2985	0	12287	1434	2571	2198	2945	7827	7747	2226	0	0	0	10271	19304	0	1765	0	7571	5521	2487	0	0	0	1545	4042	6955	13557	3440	7619	0	0	0	3649	5765	5240	1484	0	0	0	0	0	1736	1780	0	0	0	21704	1389	11920	9890	6036	1293	1414	2502	3686	3408	3057	57111	49699	0	25453	34522	0	3692	5141	3635	0	0	2281	1673	15490	15057	2245	2367	0	2988	2400	Organosulfur	0.15384616	1.3846154	0.0
24	C13 H18 O2 S1	239.11003	239.11021	-0.12356128	239.11	4949	4680	3898	3099	0	1474	0	0	1202	8801	8885	0	1740	1173	0	2116	1395	0	2214	19206	8774	9154	1669	1562	4182	0	1468	14810	0	0	0	0	3159	1544	13085	1119	1129	1490	2754	3902	4178	0	0	0	0	9195	4585	0	1215	0	2549	2825	916	0	1365	0	957	0	6405	5553	1495	3893	0	0	0	1813	2784	1490	0	0	0	0	0	0	0	974	0	0	1858	15564	1486	9097	6357	2846	0	0	3756	1417	1098	1975	38776	44211	1796	13026	14308	0	3968	2590	0	0	0	1353	0	10431	6381	1108	1129	0	2022	0	Organosulfur	0.15384616	1.3846154	0.0
4	C9 H18 O7	239.11253	239.11298	-0.31598717	239.11246	773	1077	743	738	0	1100	0	0	593	2789	8297	1997	0	884	724	0	2690	608	770	0	0	0	821	0	0	0	0	11512	0	0	0	0	0	0	794	0	0	683	2518	0	0	2802	861	0	0	0	0	0	0	0	0	850	0	0	1839	0	1522	0	1771	0	2230	0	1629	1784	1728	1487	3412	1918	0	0	0	0	0	410	0	0	0	849	0	50032	0	0	0	0	0	801	0	0	0	0	0	0	0	12208	4357	0	0	1650	0	0	346	0	1188	0	93624	0	0	0	0	379	Unclassified	0.7777778	2.0	0.0
20	C11 H19 O4 Na1	239.12538	239.12544	0.20941082	239.12543	408826	435742	432168	351833	503434	498199	624507	501542	443431	249929	185308	335171	541376	662538	476513	502664	505533	594412	648616	331745	256313	290436	369154	389747	426649	173960	619466	236758	665617	598567	435889	563180	701966	550593	297618	526921	699636	390656	505631	198384	220504	1278894	123166	66097	66173	279225	235446	80653	620637	397260	423112	458074	444376	151266	554959	415044	341345	594642	314445	244039	494890	139062	493819	430333	349610	593333	540187	585916	112176	182787	159095	393113	480435	631121	587451	558366	59740	356710	375690	234665	299512	206741	508353	302032	411452	385098	441572	396802	491623	458320	526148	450499	511767	166640	193273	91054	421146	447125	387878	446810	505857	653349	354248	393857	203272	429016	375816	70825	375960	565659	Lipid	0.36363637	1.7272727	0.0
8	C11 H19 O4 Na1	239.12538	239.1255	0.29413685	239.12546	1231052	1305048	455914	1328588	580836	447708	1419620	1331260	531924	651264	265924	1035360	614080	546682	1116660	1602312	1924972	610898	1636660	1024084	852576	1052608	1017981	1220516	973992	464839	1413562	271966	1668888	1459392	1252848	820086	1598304	1128984	989320	1573176	1626012	1030900	2192132	334282	368794	596216	106586	78832	105462	436890	417890	95908	1700032	1158160	599826	1275416	1115920	78872	705584	581676	942407	1444764	353994	862012	697436	212286	612274	538590	458440	550926	1144374	1992560	327928	398334	432854	947956	1195900	1279868	1465239	1583861	68956	975616	1328304	256152	953256	807066	1609339	614348	711376	463554	1494732	834164	1245352	1752784	436940	542880	1351508	304090	783016	96416	1266015	1291708	541998	962420	1102292	1792672	1096220	527540	220056	1146164	698630	73670	1119300	562662	Lipid	0.36363637	1.7272727	0.0
10	C11 H19 O4 Na1	239.12538	239.12576	0.10788472	239.12541	0	0	0	0	0	0	1030	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1133	0	928	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1284	0	0	0	0	0	0	1063	20923	0	0	0	0	0	0	0	0	5122	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.36363637	1.7272727	0.0
6	C13 H18 O4	239.12779	239.12819	-0.09066021	239.12776	226812	114304	90993	116682	195218	172224	152093	130478	230042	144794	139664	83667	96831	100167	225822	280082	310088	258168	273584	176704	179460	119121	197954	107876	94372	161764	267090	53007	153649	263074	124517	276602	342784	108209	191710	147664	162426	105832	219938	115488	78097	263238	37960	37353	43068	173238	198818	41204	154206	111123	114991	117649	267798	32662	262048	129143	211772	155268	182582	99800	241598	47226	97621	84993	137094	194610	248104	193041	76385	68288	95525	94930	114182	142422	99924	133625	31115	82298	243594	46940	158998	198068	293440	172034	133918	110629	278936	85991	241860	178459	89505	202732	297736	67623	161926	41900	236152	125710	183924	180249	211484	183592	217170	228910	83162	166972	256346	34015	188424	188680	Lipid	0.30769232	1.3846154	0.0
20	C14 H14 N4	239.12912	239.12936	0.03608738	239.12914	817652	871484	866734	703666	1008454	996398	1249014	1003084	886862	499858	370616	671454	1082752	1325076	954616	1008515	1011066	1191925	1297232	663490	512626	580872	738308	779494	853298	347920	1238932	473516	1331234	1197134	871778	1126360	1403932	1101186	595236	1053842	1401545	781312	1013311	396768	441008	2569693	246332	132194	132346	558450	470892	161306	1241274	795920	846224	916148	888752	303097	1109918	830088	683773	1189284	628890	488078	989780	278124	987638	860666	699220	1186666	1080374	1173161	224352	365574	318190	786226	960870	1262242	1174902	1119794	119480	713420	751380	469330	599024	413482	1016706	604064	824396	770196	883144	795100	983246	916640	1052296	900998	1023534	333280	386546	182108	842292	894250	775756	893620	1011714	1306698	708496	787714	406544	858032	751632	141650	751920	1132666	Unclassified	0.0	1.0	0.2857143
18	C14 H14 N4	239.12912	239.12947	-0.011421927	239.12912	914936	948576	871563	810963	1060484	1010651	1225988	926520	754196	634988	464261	591591	1159173	1216840	794825	1047309	1067400	1499668	1455561	891443	696674	600067	671948	648709	734860	282967	1126488	574655	1227023	985114	940284	1201003	1552167	1189829	624706	1151271	1473897	724355	1153521	387721	383193	1492223	117072	49364	61983	478775	418639	60271	1279243	721828	923050	845651	984429	87043	1132085	785939	652013	1306128	521461	472605	1047905	278467	1066373	805791	713311	1237887	1110303	1189815	181853	278108	252149	803126	889689	1131108	1065045	1065927	44219	565814	702581	541824	516394	459622	962450	676983	841949	806183	899347	894960	1061313	850619	1046849	991788	899321	363022	582919	81726	882089	875443	750953	888575	1047302	1430392	587174	799681	298116	796592	727463	52415	733321	1037355	Unclassified	0.0	1.0	0.2857143
6	C14 H14 N4	239.12912	239.12935	-0.3180513	239.12904	22501	26940	25468	25074	0	0	9463	19026	0	0	0	56226	0	0	10499	134437	0	0	0	0	0	1521	87597	1000256	19135	0	7848	0	4067	20190	20772	11625	8252	11555	0	7742	8141	25136	5722	0	0	0	0	0	0	136027	0	0	11491	9045	29297	22981	0	0	2087	0	0	121797	0	0	315422	0	0	0	0	0	0	7035	0	0	0	51450	12518	13288	13158	19287	0	66632	0	0	162305	0	0	0	0	0	0	1778	0	5779	0	0	16856	0	0	0	31688	25584	0	0	0	8450	40647	0	0	1400408	0	0	90613	0	Unclassified	0.0	1.0	0.2857143
8	C14 H14 N4	239.12912	239.12947	-0.1340102	239.12909	0	1740	0	0	0	0	860	0	0	0	0	1635	0	0	0	0	1216	0	0	0	0	0	2520	22418	1908	0	1277	0	0	0	0	0	0	0	0	0	1884	1025	1595	0	1463	0	0	0	0	2400	0	0	0	0	0	0	0	0	1652	0	0	0	0	0	0	0	948	818	0	0	0	1014	0	0	0	0	0	0	0	1459	0	0	0	0	4137	0	0	0	1279	0	0	0	0	2596	0	0	0	0	0	0	0	0	0	4276	0	1695	0	0	0	22488	0	0	2282	0	Unclassified	0.0	1.0	0.2857143
4	C14 H14 N4	239.12912	239.12975	-0.5656564	239.12898	0	0	0	0	0	0	0	99523	0	0	0	1704	0	0	18584	245021	0	0	0	0	0	0	0	514623	132879	0	0	0	4366	0	0	0	0	0	0	5100	0	0	0	0	0	0	0	0	0	0	0	0	0	48186	0	0	0	0	958	0	0	0	0	0	19893	0	0	0	0	0	0	0	0	0	0	0	0	6901	0	0	0	0	1717	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	85620	0	0	0	0	Unclassified	0.0	1.0	0.2857143
16	C14 H14 N4	239.12912	239.1295	0.16601837	239.12917	1031406	1147429	1064907	1088598	1300635	1188905	1575384	1015813	1030868	842496	628245	719216	1342180	1600676	937734	1337529	1633848	1843168	1681478	1187983	1044861	743873	783999	788896	929586	481275	1462842	654521	1319507	1171451	1113996	1472841	1724945	1297115	896824	1420675	1657469	840074	1664159	598063	567171	1135627	126946	56634	60420	604876	646387	64439	1595840	947881	1150736	1088609	1268348	79516	1146564	960499	830276	1593463	593897	702176	1209712	334561	1256598	949191	918032	1541786	1398332	1525187	304190	442846	425142	978764	1219410	1283082	1479413	1347165	45009	697765	970819	743432	635029	604750	1568382	1377007	1154610	917618	1295711	1128264	1342307	1412274	1172921	1141761	995680	551668	865582	76686	1103221	1175928	938963	1227014	1538015	1779173	642872	906201	384947	986018	1101780	53708	928024	1333910	Unclassified	0.0	1.0	0.2857143
6	C12 H18 O3 N2	239.13902	239.13936	-0.13128711	239.13899	101884	111431	89923	104361	33028	35216	91284	134716	29080	82018	45965	78414	24900	15338	83194	161387	131966	49930	62803	94147	92331	149200	83968	149308	81346	35865	86389	46735	111528	109264	131292	131588	146299	127525	105776	121423	147317	86891	184555	85761	136392	54041	2663	699	528	116347	137394	582	149571	118823	104123	99158	49045	875	36522	15987	29920	157584	80970	137589	126437	60090	28818	25709	25262	40867	48607	184320	31020	46290	57791	123366	119783	120275	108899	119981	375	75748	87272	67939	79003	93840	112302	80210	23527	34874	101204	63890	66523	251566	138120	134818	226055	85685	114937	811	106213	88808	16261	17475	19815	134459	81482	137419	69924	129453	29071	727	101260	41510	Peptide	0.25	1.5	0.16666667
18	C12 H18 O3 N2	239.13902	239.13922	-0.1386172	239.13899	1979	2446	0	2319	1239	0	2749	1968	1270	0	0	874	3006	1939	0	2452	0	1794	2501	0	0	1709	1758	2711	0	0	0	2264	0	1293	1539	0	2269	0	0	0	0	0	2382	0	1764	0	730	470	324	0	1281	572	1904	0	0	0	1678	923	0	0	976	2165	0	0	0	0	0	1392	1261	1836	1772	2671	0	0	0	1559	1280	0	0	0	591	0	3609	4304	2689	0	0	0	0	1885	2338	1350	0	4705	24015	25242	3219	2033	0	877	2570	2402	0	0	0	1595	1522	0	0	0	0	631	0	3083	Peptide	0.25	1.5	0.16666667
16	C12 H18 O3 N2	239.13902	239.13927	-0.1058457	239.13899	3360	5750	5840	5630	6548	2994	4209	3993	3341	0	4707	3320	5758	2520	5500	9606	8961	6576	4550	3895	0	7113	6904	9193	5900	0	2594	2345	2643	3256	4212	9041	5172	6247	3340	5602	10416	2745	7675	2429	3462	4075	402	761	508	1928	0	826	6237	3622	4715	5836	5515	927	1767	1260	2210	8273	1736	2489	6364	1741	4246	2167	0	5829	4749	5086	0	0	0	4509	3537	3177	3440	4270	810	2524	3907	4833	8394	3559	1726	2033	2234	2229	5653	5214	2679	0	21749	14891	0	3731	3662	678	3243	1746	2057	5337	2743	4410	3390	1835	0	0	3130	541	6433	6114	Peptide	0.25	1.5	0.16666667
28	C15 H19 O1 Na1	239.14064	239.14084	0.13075562	239.14067	0	0	0	0	0	0	0	0	0	27143	0	0	0	0	0	0	0	0	0	0	2593	0	0	0	0	0	0	30354	0	0	0	0	0	0	806	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7538	0	8608	0	0	0	0	0	0	0	0	1070	1255	0	962	0	0	0	0	0	0	0	0	0	0	5702	0	0	0	0	0	Phytochemical	0.06666667	1.2666667	0.0
26	C17 H18 O1	239.14304	239.1433	-0.06802071	239.14302	18739	20381	16768	17133	16735	13988	13356	20085	16217	12467	14832	16273	13373	14628	19096	22870	13750	12987	23233	17833	14505	22401	15733	20227	18929	17282	10997	16554	23261	24256	22039	28033	26551	23681	13064	27638	24031	16725	19864	15185	15094	23459	5878	5673	0	13056	9933	0	20056	20001	18215	15699	16005	0	17893	13384	13849	30250	13859	12190	25460	11281	12097	13118	9714	13202	18289	21623	15175	18328	16945	16810	20160	23917	14587	27019	0	18398	26430	15537	16481	12457	13356	14407	11976	12411	31138	16117	15929	32138	19039	17033	31638	16635	11693	5900	18941	17247	17152	14396	18448	28478	15477	18361	8911	21166	12492	5833	23849	8444	Phytochemical	0.05882353	1.0588236	0.0
6	C10 H22 O6	239.14891	239.14929	-0.006424798	239.14891	4880796	3605696	4676842	4298293	1085570	650583	1077739	2930068	1112007	9471598	7624606	448857	1432536	2354583	646591	2126651	1105073	1379106	664624	7886693	5726431	5349442	564166	3833662	639114	1564091	1237477	20412095	2006987	1638451	1255814	2218767	982942	1352683	4281048	1451657	1066489	424109	848454	10586973	4145958	1185296	7012147	308985	613899	14290562	12701419	588046	2113220	2210436	4438723	4572326	638621	1120719	1381589	745202	685013	2946987	7059941	4900869	8889864	10872945	2866547	1547554	1035268	2260871	2007717	1503524	15421481	13330718	21244767	1720414	975013	1669137	451526	1110292	562093	451784	749933	26912491	532416	1385425	1134306	702198	790049	1226280	463402	1721505	719751	1221455	7339069	6155323	1571831	3455095	9029238	429398	4557486	4747999	2966524	0	1266346	1601300	495362	12681931	66237250	765229	840122	606481	523217	1489634	Lipid	0.6	2.2	0.0
18	C11 H18 O2 N4	239.15025	239.15048	-0.13856223	239.15022	7704	11242	6357	9402	19258	11169	8031	4395	33444	0	2009	3163	8756	6759	1808	4364	6459	8205	21455	0	0	2187	4556	4925	0	0	8132	0	0	2520	2927	4494	21932	0	0	0	17390	1978	9001	0	1849	6615	0	0	0	1995	0	0	4038	1398	6554	7549	10627	0	68180	24502	11870	6573	2393	5965	2525	0	93878	61117	4214	12476	19527	8548	0	0	0	2279	1728	0	4178	0	0	2156	5663	0	3428	0	6456	0	36044	5413	7194	5072	7029	4904	3345	3102	5100	0	0	0	11199	7969	14835	54492	46893	16478	0	5137	0	3885	10236	0	2145	142601	Peptide	0.18181819	1.6363636	0.36363637
6	C12 H23 O3 Na1	239.16176	239.16226	0.2117957	239.16182	0	0	0	0	0	0	0	0	0	0	0	0	0	442	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2263	1232	0	0	0	0	0	0	0	0	0	1744	0	0	0	0	0	0	0	2283	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	863	0	0	0	0	0	0	0	0	0	0	20592	0	0	0	0	0	Lipid	0.25	1.9166666	0.0
8	C13 H22 O2 N2	239.1754	239.1757	-0.15526223	239.17537	8970	8292	5829	6579	2777	1582	4176	4957	2001	5965	3071	3167	1583	1653	3111	13536	15748	2286	4161	5795	7909	7551	8315	15788	19751	2196	5847	3025	2973	3787	4581	6198	6055	7620	6127	5968	7791	5212	16990	6080	4858	1574	0	0	0	3502	2916	0	4632	3509	6716	5952	2094	0	2120	0	922	12421	0	0	7029	2850	1517	1694	0	3491	3029	17343	0	3902	6962	5557	5963	3078	11816	5687	0	3545	8386	2936	12421	1229	672	4400	901	0	8304	2182	3590	13828	11922	0	38316	2336	5272	0	6184	5958	955	0	0	6684	2655	4582	0	18128	0	0	16637	2950	Peptide	0.15384616	1.6923077	0.15384616
20	C18 H22	239.17943	239.17967	-0.118309535	239.1794	9981	7622	7757	6673	3686	3014	11904	5931	3856	0	3034	7118	2632	7378	10357	14892	24340	4177	6583	2070	5059	2638	5877	5984	7187	8239	17171	2568	5135	8154	6912	7676	5447	6837	3527	9232	7445	8218	27482	3926	8230	8325	0	0	0	2915	6739	0	6932	11405	8022	9684	2970	0	1948	6648	5318	11736	4516	11217	9795	1601	2645	2603	4900	2180	5773	25586	3419	0	10153	2349	6333	12575	18593	13482	0	6042	10217	7905	9143	2086	7249	0	9617	8330	16534	5713	6456	33559	8600	7945	12702	5493	2042	0	5943	7123	10274	12532	9648	9438	7991	5025	1816	8403	6001	0	15769	4198	Phytochemical	0.0	1.2222222	0.0
20	C15 H26 O2	239.20056	239.20079	-0.1166695	239.20053	5179	5272	5894	7648	0	3114	189328	0	0	0	2192	1878	1829	72704	1775	0	5969	0	2625	2708	0	1995	0	0	1589	32709	193617	12792	2867	2461	0	1525	0	1480	0	1954	0	2762	8085	1232	5464	5442	9067	2088	2171	0	6115	2100	1518	2189	7358	6168	0	2728	0	7836	6361	1658	2149	7626	4517	0	15261	0	48301	3351	14884	5737	2926	2498	5519	1490	1407	2953	3176	2296	2108	0	1769	25460	1272	8551	78941	217908	0	0	3369	2512	4199	9562	19152	11086	2538	3312	1976	3115	6113	10577	9227	2332	2331	0	0	5899	3581	2027	2499	1804	1543	0	Lipid	0.13333334	1.7333333	0.0
18	C15 H26 O2	239.20056	239.20058	-0.20433927	239.2005	0	0	0	0	0	0	16678	0	0	0	0	0	0	7007	0	0	0	0	0	0	0	0	0	0	0	3624	17000	1402	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1165	613	680	0	0	859	0	0	0	0	0	761	0	0	0	0	0	0	0	0	1963	0	4705	0	2461	0	0	0	0	0	0	0	0	0	806	0	0	3382	0	1238	14874	25620	0	0	2078	0	0	2863	0	0	0	0	0	702	0	0	0	0	0	0	0	0	0	0	0	633	0	0	Lipid	0.13333334	1.7333333	0.0
16	C10 H9 O6 N1	240.05026	240.05049	-0.1228919	240.05023	3723	4997	3441	3338	6250	41801	2034	3424	5109	0	0	3659	21400	27969	3549	2302	2303	32564	12292	0	0	2555	4141	2926	1684	0	0	0	2127	1936	2992	0	5530	2562	2231	1726	9272	2633	4888	0	0	7145	1606	476	1014	0	0	1445	0	2628	2663	4476	3319	1090	4297	2050	2233	4204	0	0	0	0	21232	5920	3140	15470	14941	5404	0	0	0	3154	1306	1967	0	1386	853	1718	2675	0	2704	0	0	0	4418	2803	1486	4489	10425	0	5561	21282	0	0	0	1138	4144	1908	2292	2741	2344	5519	1647	0	0	0	0	1043	1919	47937	Phytochemical	0.6	0.9	0.1
10	C10 H9 O6 N1	240.05026	240.05055	-0.075266175	240.05025	13227	16654	16937	12353	27994	22035	7775	10782	20021	2350	6586	11848	29877	16706	8167	21217	21725	38366	31609	2196	3251	12337	12505	14131	6212	0	7979	0	12763	8866	11973	10987	25133	11998	5805	8259	25341	8375	21828	0	0	21846	859	0	718	3870	2204	805	13323	7984	12099	16331	24206	1176	21451	10107	9279	18276	0	4061	14748	0	47509	25354	10836	34945	22734	24055	0	1676	0	9919	9035	5434	16552	9288	0	7791	11273	0	9833	1738	1330	0	16507	10304	12185	26912	28173	23491	0	6720	18563	4155	1926	673	15492	14361	11296	13105	14086	17098	13019	2935	0	28493	11593	676	7653	58591	Phytochemical	0.6	0.9	0.1
12	C10 H9 O6 N1	240.05026	240.05054	-0.06160497	240.05025	11574	10713	9959	13079	19942	22178	5014	6769	21723	2334	6626	7232	25514	15100	4743	8505	10899	36335	34525	1269	1763	13406	9922	7840	4202	0	3341	0	6161	7205	9946	7892	15033	7863	4086	5253	19897	6986	14628	0	0	19805	535	657	693	2023	0	719	8268	7998	14209	10648	20474	501	22128	8273	9479	13637	0	0	0	0	51801	24150	11704	32126	24251	11344	0	0	0	5442	5680	5811	12073	5679	515	7560	6281	0	6350	1035	1127	0	9163	6513	6990	25341	21818	21472	3091	7722	29320	0	0	1027	10678	11748	10927	9826	10330	16609	8168	0	0	24803	9468	798	3778	71006	Phytochemical	0.6	0.9	0.1
14	C10 H9 O6 N1	240.05026	240.05052	-0.08179396	240.05025	7037	8343	8784	9069	12258	17329	6946	6124	11164	0	2178	10273	15564	13212	4402	7996	11896	25312	21352	0	0	9412	10304	7792	3134	0	2898	0	3126	5018	7011	0	11081	4161	2019	2883	12503	4576	10117	0	0	14845	0	667	890	1687	0	932	7498	3498	7650	7647	12474	599	11031	4533	9209	10379	0	0	0	0	26250	11432	8129	19055	14285	12159	0	0	0	6025	5554	2643	5313	5028	472	5185	6873	0	9970	1649	0	0	9726	5480	8719	21447	21526	21764	0	4652	20600	0	0	751	8177	7792	5636	6711	8352	7755	7656	0	0	21716	5467	660	5843	32146	Phytochemical	0.6	0.9	0.1
8	C10 H9 O6 N1	240.05026	240.0506	-0.057095267	240.05025	11405	13656	12378	11727	22818	14839	4233	11267	21433	1901	3894	10017	28616	9119	8781	14934	17813	27274	29893	2389	4636	10587	10503	11972	4393	0	8685	0	8263	9332	11878	11626	19015	11724	2783	10045	16308	7132	21497	1478	1190	19690	629	319	763	2539	1632	428	14285	7980	10879	14503	19054	425	22235	12443	10726	15608	2853	2235	17204	0	42843	27662	11548	23957	16046	15618	0	1517	0	9841	8122	7447	12547	10563	321	6655	9196	0	7746	1495	1425	0	12689	8934	9681	23437	22759	24165	0	0	20280	2687	993	707	11567	12019	12249	18837	15176	15100	10232	2775	0	14115	13022	329	5711	51315	Phytochemical	0.6	0.9	0.1
6	C10 H9 O6 N1	240.05026	240.05061	-0.04842277	240.05025	7417	8142	4801	7569	14600	7194	2298	3930	14397	960	1772	4130	20266	5459	3186	7077	6392	18842	16675	2148	1749	5831	5203	5485	2348	0	2717	0	4249	2980	5152	5959	9716	5996	2146	3402	7330	3172	7664	0	730	9540	0	407	600	1451	0	352	5684	3657	8947	4340	12216	646	12405	8054	7673	7726	912	1305	6189	0	31476	14338	4636	18279	10115	8612	0	0	0	4409	4445	2337	4937	5353	230	2695	5314	0	2928	533	646	0	9555	6013	5984	12075	12492	8627	0	1169	9632	946	0	548	4563	5534	8409	12919	12747	10585	5121	0	0	7789	7723	453	3565	43984	Phytochemical	0.6	0.9	0.1
10	C8 H9 O2 N5 S1	240.05498	240.05524	-0.14729947	240.05493	7847	6337	5667	6371	6151	6168	11140	3607	4663	0	0	5082	2684	6292	3942	10652	13322	2094	6360	0	0	4838	7706	66986	3929	0	6133	0	2093	2460	5358	6399	16024	9934	0	2165	18576	6613	20208	0	0	1182	0	0	0	9571	0	0	10173	5117	6406	6140	3243	0	0	1894	2020	13537	0	0	8946	0	1154	2133	3633	5901	4946	22119	0	0	0	2705	0	0	4771	0	0	2406	47883	0	43409	2017	0	0	3850	5572	37344	11054	7801	29167	0	0	10785	0	0	0	7411	4930	3369	1953	2499	13138	4477	0	0	24922	3240	0	20308	3427	Peptide	0.25	1.125	0.625
14	C11 H13 O3 N1 S1	240.0689	240.06918	-0.085481144	240.06886	5816	7591	3100	5329	5300	3590	0	1480	2981	7347	4857	0	3121	0	1107	5955	3063	5608	4840	5971	6881	19858	1031	4303	2182	1429	1792	0	1561	1158	3336	0	3252	2631	5176	0	7104	0	4088	15753	20321	3164	0	0	0	7611	10683	0	2752	1222	5940	3358	4439	0	2209	837	2046	7721	0	10874	0	5632	2154	3318	1165	3491	1904	3787	0	0	3561	1598	1793	0	2656	1438	0	1244	1369	0	0	5484	8887	9871	1874	0	4836	4761	5787	5774	20464	22842	3391	11366	16699	0	5150	2793	1616	2584	1500	4775	1083	11836	0	5500	2991	0	3159	5105	Organosulfur	0.27272728	1.1818181	0.09090909
8	C11 H13 O5 N1	240.08665	240.08698	-0.08268536	240.08662	281226	323057	219328	309925	391184	287156	203634	257915	415804	141631	132023	197318	520475	193588	224469	443250	351841	577124	650317	148890	185305	264702	235056	299422	177802	26121	214511	104862	317567	228354	262122	338071	442247	314015	217740	269874	447748	204039	439218	128441	203643	324870	7835	4567	6697	132298	140159	5410	324049	213762	284313	314792	377719	5928	497357	235453	213636	377177	131685	162203	377806	97787	475263	432089	172283	465569	299773	382931	55016	65798	88098	251166	274738	225563	243888	304764	4450	175360	215783	123545	162879	94567	110960	58791	275951	210027	252673	387414	439327	424820	151479	215280	428687	131480	140163	7487	307441	286094	258998	306173	293876	424466	195271	169752	71087	347368	326700	5025	187424	705960	Phytochemical	0.45454547	1.1818181	0.09090909
16	C11 H13 O5 N1	240.08665	240.08691	-0.08875552	240.08662	36781	45078	41692	42849	43647	47437	52967	42653	42405	15389	25411	32433	45363	37797	53008	51060	47723	70821	57230	9131	8535	33949	45572	57237	35578	1338	36804	24059	40672	36682	42210	46518	87783	47533	19049	34241	95386	48201	51862	7995	9253	40271	5791	5776	9222	17783	5980	6619	56615	32427	40625	41614	66128	6041	35492	24283	32732	61055	13019	14864	69405	5298	38588	38087	28425	55530	57957	36182	2682	6527	4707	38854	39458	21010	32845	34676	6295	29748	55777	24963	50582	12869	15956	2907	36335	41972	67812	65127	56948	89528	37414	31024	80842	10200	13862	7606	37192	37573	24065	24317	26713	86675	35039	14031	5585	73766	29141	5800	49633	58678	Phytochemical	0.45454547	1.1818181	0.09090909
6	C11 H13 O5 N1	240.08665	240.08702	-0.01631048	240.08664	186628	231435	185128	208459	276054	191153	125680	170098	323406	123203	101183	121939	395259	128387	127707	229012	246350	463564	418820	131965	172179	197723	139348	182893	85820	29107	120177	56944	182143	151359	172824	190006	297509	192991	160235	166513	305354	122739	347502	94969	161940	208137	6497	3846	5481	113238	139458	3705	220267	140748	217600	209847	268428	6078	362955	262215	149081	250632	109395	154487	205053	76553	396300	275747	121147	334564	216709	329167	63284	79844	95361	153082	170487	144880	127783	151440	3779	100899	117221	63639	99647	69298	87762	46288	215610	168978	146524	253885	265106	292387	105060	159207	290839	101685	112556	5679	199937	195881	179431	222424	260425	279060	132603	154614	48749	222297	246600	4149	103117	568509	Phytochemical	0.45454547	1.1818181	0.09090909
6	C10 H13 O4 N3	240.09789	240.09825	-0.014603355	240.09789	11128	11996	12499	11059	9977	6333	8145	11224	10778	5037	5181	8820	10447	4900	12300	19754	17428	17564	16651	6632	5720	19564	12475	17290	9857	662	7606	5173	13150	8992	12246	11847	18067	12661	7600	12289	13999	13543	24242	5823	9679	8918	0	0	0	7737	8329	0	13706	10176	12306	13012	11242	0	13709	7527	9125	18038	7267	11435	19727	3799	12360	8027	8505	11249	9199	23950	1644	1521	2814	8724	9203	6591	8119	9124	0	6026	11240	3600	8538	5200	6469	3974	10351	7486	13970	15010	14626	39736	8423	14876	35797	6418	8882	0	12402	11749	7238	7116	7516	16154	8340	11408	0	16319	8876	0	11786	16947	Peptide	0.4	1.3	0.3
4	C15 H13 O2 N1	240.1019	240.1023	-0.06873543	240.10188	3399	3736	2348	2934	11901	3164	2649	5879	4206	4807	5326	1902	6255	33095	2835	7550	6158	4112	4166	5411	6127	1378	1858	5843	3625	4268	2206	7485	3801	3527	3800	5399	4533	4037	3813	4623	4095	2387	6273	1609	1316	5840	0	0	0	2201	1412	0	5049	5636	3277	2282	8888	0	3181	2047	2482	4690	0	0	5728	0	714	1950	4530	3663	5348	6145	2803	4646	5852	4567	3428	3313	3390	4521	0	2170	3141	0	2327	567	408	1611	2980	2452	2513	5211	3793	5861	1216	0	4847	1801	2603	0	3606	4137	2572	1636	2225	3825	2322	1598	0	4121	4138	0	2687	2656	Phytochemical	0.13333334	0.8666667	0.06666667
8	C15 H13 O2 N1	240.1019	240.10223	-0.046088353	240.1019	6521	5688	5440	7750	3236	3198	3145	12562	1750	21029	15748	4228	1198	2907	3751	11508	10420	3657	6774	17226	18133	1338	5564	11755	4848	4074	3942	13671	8865	7464	5781	9073	9260	7880	12160	8623	7313	4479	10019	3762	6690	4643	0	0	0	4499	3998	0	7513	10046	8270	6639	3216	0	2980	1160	2986	11600	0	2913	9368	1780	1724	1729	2845	2296	3892	11876	0	3227	3829	9017	5861	4673	7640	9041	0	3634	5922	2404	5205	740	528	4599	0	0	5877	7265	5096	26389	0	0	18151	3719	9466	0	8915	5200	2095	1245	0	10848	3688	1561	0	10791	0	0	5637	2623	Phytochemical	0.13333334	0.8666667	0.06666667
4	C13 H13 N5	240.12437	240.1246	-0.027379638	240.12436	240450	278994	242376	263820	210919	158962	172144	245780	208856	222410	166946	184432	243068	96820	161654	243970	338386	288398	275440	268230	298004	318656	133544	204676	128498	94160	192164	110934	246050	244724	271570	297668	474928	297006	317404	370074	413914	165681	405354	222494	298148	177506	10732	9136	11104	190398	235030	14090	300842	241396	256204	206852	237014	11434	241142	157526	122396	270242	144214	233492	232046	154944	246282	196714	91228	292180	157914	335762	134422	135938	178718	246242	314026	471986	230090	286434	6880	187310	166708	106134	135566	141074	162990	126620	163428	131862	165110	188782	216468	270528	204094	245568	549488	181766	226650	19184	238536	256796	150192	184298	179800	419430	206016	241514	146948	218892	164859	16298	124174	315414	Unclassified	0.0	1.0	0.3846154
20	C16 H17 O1 N1	240.13829	240.1383	-0.119193695	240.13826	2934	3650	2923	2765	0	0	0	0	0	0	64978	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	696089	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3412	4309	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1795	1416	16320	6151	0	0	0	0	3209	4104	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0625	1.0625	0.0625
24	C16 H17 O1 N1	240.13829	240.13846	0.0718844	240.1383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1212	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1810	0	0	0	0	0	0	0	0	0	2511	1272	0	0	0	0	0	0	0	0	0	25212	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0625	1.0625	0.0625
8	C12 H21 O2 N3	240.17065	240.17096	-0.17310378	240.17061	8641	10593	10841	9953	4362	3120	5024	8011	2290	5395	1170	6318	1072	3968	3284	11075	7493	5406	13802	7446	5150	10364	6098	18556	7336	833	5981	2150	18036	12600	15536	17671	64297	12790	7785	17255	75407	5785	10374	4665	2822	4265	0	0	0	6465	3995	0	15486	7704	7240	8656	5336	0	3555	1279	2979	13497	0	0	12375	1881	2634	3189	1715	1776	4142	10028	0	3233	0	11673	14086	22868	6549	15143	0	8827	7120	0	3750	0	0	3905	988	0	8528	4922	5885	41253	11934	0	37843	2864	5167	0	9233	9318	2007	1274	0	35264	7433	4111	0	16634	3231	0	7564	3628	Peptide	0.16666667	1.75	0.25
10	C12 H21 O2 N3	240.17065	240.17084	-0.16352057	240.17061	0	1306	1272	1689	0	0	2584	0	0	0	0	1469	0	0	2394	2083	1191	0	4756	0	0	2694	2931	2115	3679	0	2661	0	0	0	33634	1872	2368	1635	1170	1453	2054	2344	2541	0	0	0	0	0	0	0	0	0	4105	1029	1141	1548	0	0	0	0	616	3281	0	0	0	0	0	0	879	0	0	3523	0	0	0	1883	2283	997	2382	2902	0	804	3985	0	3650	0	0	0	0	756	4232	0	0	5797	0	0	8457	0	1531	0	1807	1025	0	0	0	0	0	0	0	2395	0	0	6122	0	Peptide	0.16666667	1.75	0.25
24	C14 H25 O2 N1	240.1958	240.196	-0.21719779	240.19576	2002	2529	1471	3105	3008	1826	1247	2434	0	3718	0	924	5703	3457	1834	0	2579	0	0	0	3790	0	0	1315	0	0	2102	4309	1658	3205	0	3272	3379	1044	0	3006	1351	1890	1588	25559	40495	37213	3749	0	0	1616	4536	0	2896	4579	1411	1727	0	4595	1423	0	1074	1769	1712	2597	2488	1935	1301	899	1195	1445	2545	5046	0	0	0	3316	2591	1840	1436	1623	0	1257	0	6370	0	3930	1563	2563	0	0	1707	1799	0	1853	5136	1586	2858	0	0	0	2026	1915	2116	0	0	2504	1652	2291	2218	4261	1403	0	0	3832	Lipid	0.14285715	1.7857143	0.071428575
14	C15 H29 O1 N1	240.2322	240.23232	0.22833613	240.23224	0	0	0	0	0	0	2219	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3502	1655	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7999	8260	0	0	0	0	0	0	0	0	0	0	0	0	31552	0	0	0	0	0	0	8500	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.06666667	1.9333333	0.06666667
10	C15 H29 O1 N1	240.2322	240.2324	-0.16345337	240.23215	0	1397	2802	1787	0	0	1389	0	0	1890	0	0	0	0	0	2949	1457	0	1979	0	1487	0	0	0	4060	0	1463	0	0	0	0	0	0	0	2419	0	1276	0	0	3081	0	1532	0	0	0	0	1661	0	0	0	1191	1686	0	0	0	0	0	2924	0	0	0	0	0	0	1353	0	1326	3424	0	0	0	0	0	0	0	0	0	0	1024	0	0	0	0	4073	0	1150	933	1559	5547	9617	12345	0	10496	1021	2985	0	0	2667	0	0	0	0	0	0	0	38482	0	0	1865	0	Lipid	0.06666667	1.9333333	0.06666667
12	C15 H29 O1 N1	240.2322	240.23236	-0.20320208	240.23215	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1402	10894	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21293	0	0	0	0	1162	0	4421	0	4569	0	0	0	0	0	0	0	0	0	0	0	0	10111	0	0	1044	0	Lipid	0.06666667	1.9333333	0.06666667
18	C16 H33 N1	240.26857	240.2687	-0.17074525	240.26854	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4681	10664	15361	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3661	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6725	2291	0	0	24946	0	0	0	0	0	0	0	0	0	0	0	0	56236	0	0	0	0	Lipid	0.0	2.0625	0.0625
8	C9 H8 O4 N2 S1	241.02776	241.02805	-0.16476493	241.02771	4040	4098	0	5285	12836	5699	4059	3732	9819	0	0	5529	6375	2785	5379	5357	6233	9299	12997	0	1133	6722	7214	6122	3550	0	3704	0	2960	2395	2648	2670	5719	2132	0	1605	6175	4674	9948	0	0	5198	0	0	0	0	0	0	5184	3407	4381	4991	9514	0	5408	2810	5096	4061	0	1032	6586	0	6486	7245	4172	12609	5135	8393	0	0	0	2301	1551	0	4161	1825	0	2548	12952	0	11032	0	558	0	6051	4621	11348	9774	6209	25158	0	0	18321	0	0	0	3407	4602	6854	4066	4025	5869	3983	0	0	9017	6394	0	6348	16786	Organosulfur	0.44444445	0.8888889	0.22222222
10	C9 H8 O4 N2 S1	241.02776	241.02803	-0.10760921	241.02773	5174	3346	4087	3770	9887	8365	3352	2968	8709	0	0	7907	6326	3451	4343	10866	11669	11510	13900	0	0	10749	7297	8946	2264	0	2553	0	3568	2731	5184	3446	7307	4614	0	3598	6144	5768	14924	0	0	9125	0	0	0	2182	1880	0	5262	4276	5084	5365	8147	0	5086	3414	4566	8599	0	2564	0	0	2361	4536	2734	9633	8816	13826	0	0	0	5757	1624	1385	5478	3315	0	4086	8536	0	9077	737	0	0	4070	2771	8727	13000	9312	28087	0	0	30077	0	0	0	5077	5011	6079	5515	3651	4799	7063	0	0	16661	5867	0	3170	11044	Organosulfur	0.44444445	0.8888889	0.22222222
8	C10 H8 O7	241.03429	241.03458	-0.082156606	241.03426	1987	2251	1669	2702	14005	4923	0	0	9967	0	0	1650	23560	6519	0	0	0	10060	11262	0	0	0	2478	1029	0	0	608	0	0	0	943	0	0	0	0	0	1269	1052	0	0	0	3135	0	0	341	0	0	394	1245	0	1923	2456	7423	361	8373	11308	3897	0	0	0	0	0	29007	12345	3037	16203	3857	0	0	0	0	942	0	0	0	0	235	782	1322	0	988	0	0	0	12312	0	1121	4133	6059	0	0	0	0	0	0	0	3079	2587	7130	16386	16896	1197	804	0	0	0	9429	0	1423	33128	Phytochemical	0.7	0.8	0.0
12	C10 H8 O7	241.03429	241.03458	-0.06969086	241.03426	2728	2747	2602	3771	14482	7929	0	1164	13663	0	0	2076	18575	9181	1680	1609	0	15511	11885	0	0	0	3215	0	0	0	0	0	0	0	2032	0	0	0	0	0	1405	1527	1467	0	0	6664	452	357	544	0	0	883	0	0	2674	1966	7081	488	10380	7361	5004	0	0	0	0	0	27358	13204	4939	19262	8123	0	0	0	0	0	1646	0	0	0	503	1236	1937	0	1547	0	0	0	11547	3605	1958	6302	5225	0	0	0	0	0	0	540	2275	0	7556	14751	11000	1925	1525	0	0	0	8595	706	0	32790	Phytochemical	0.7	0.8	0.0
10	C10 H8 O7	241.03429	241.03458	-0.047756158	241.03427	2152	2370	1826	3223	15662	9395	0	1194	14771	1133	0	1455	26973	11810	1940	0	0	14503	15436	0	0	0	1986	0	0	0	0	0	0	1208	1863	1458	1357	883	1273	1168	1923	1286	1919	0	0	4945	470	0	591	0	0	769	0	0	3349	3124	8914	475	7476	11469	4356	2052	0	0	0	0	32954	12239	4352	21404	4949	1230	0	0	0	1205	1122	0	0	1035	566	1065	1772	0	2134	0	0	0	16982	4468	1703	5137	6099	0	0	0	0	0	0	609	2795	3434	8442	18226	15846	1940	2444	0	0	1944	7744	0	0	30669	Phytochemical	0.7	0.8	0.0
18	C14 H8 O4	241.04953	241.04979	-0.07798699	241.04951	16422	14955	11042	10979	8194	7743	140528	15192	5050	7236	4076	18851	10621	13258	8475	16356	77425	11664	21052	7687	4917	7046	7839	15893	7668	0	153146	11729	28483	25946	17227	33459	54694	28495	6595	17111	39987	8072	79016	3687	2840	30629	5850	1435	2169	2729	1192	2086	30551	16340	16643	13676	14377	2758	6293	4519	16631	14318	2095	2618	12990	1556	8121	9329	17004	19010	40008	81393	1252	1716	3965	17588	21312	14911	41131	26431	1050	9357	6435	5335	7756	4519	5553	0	6157	21771	7635	24965	24214	13560	0	3063	11182	3540	4390	3608	13387	14497	8329	7094	8854	51724	18451	4478	2750	8422	5479	1486	12134	8943	Phytochemical	0.2857143	0.5714286	0.0
18	C11 H12 O4 S1	241.0529	241.05318	-0.05640548	241.05289	6019	6492	5780	4764	11606	11047	2866	2403	4217	3843	3538	1239	11654	4571	4640	4646	6983	15552	12478	4122	3082	7345	0	4591	6680	1747	2061	7660	3021	1936	1852	4967	6156	4366	7218	0	8190	3425	4792	2670	1958	6149	658	0	335	2319	2100	0	3525	0	4693	4285	8787	229	10546	3395	3632	8666	5126	3443	4650	3968	3000	3413	7410	8892	9419	5202	1225	0	0	1185	1413	0	4103	0	0	0	1682	6449	1753	2486	2286	1782	6042	6554	5059	9241	9649	4367	22754	20329	4991	8416	8708	548	4105	5448	8262	3377	4131	7960	2048	7449	3549	4651	8454	0	3976	10160	Organosulfur	0.36363637	1.0909091	0.0
14	C11 H12 O4 S1	241.0529	241.05319	-0.09264502	241.05289	9519	8948	10114	8036	21696	11444	4332	1590	15747	13128	12479	4409	22012	8155	4091	3913	5001	26499	14124	10988	8344	20366	3866	2746	7017	0	5105	11041	2448	2454	1784	0	8000	4161	13205	2102	10189	4033	5047	10489	11947	8489	0	0	263	8026	10449	430	3968	2000	9121	9831	16101	267	13541	8949	7741	9546	8852	9923	0	6700	6155	10318	6133	17077	8887	11233	0	2156	2544	1704	1590	1733	2101	2273	361	3538	7318	18159	2567	10136	10182	9058	15953	8835	10402	12053	13211	4604	41322	42514	5155	19209	27707	586	10049	7797	14094	16458	14107	4424	4000	11170	0	7688	18355	358	4785	18364	Organosulfur	0.36363637	1.0909091	0.0
12	C11 H12 O4 S1	241.0529	241.0532	-0.07766913	241.05289	5447	9451	6939	9877	15751	9328	3354	1684	9219	11763	12459	1930	15423	5913	2162	6652	3791	18046	13298	10173	7899	23125	2332	2750	4360	1361	7090	9096	2132	2303	1891	3068	3865	1773	15540	1593	5077	2601	5660	14445	11849	5702	428	0	295	8351	10681	379	5535	0	10117	7923	11196	257	10837	7504	4406	7766	7194	7830	0	6564	6329	3566	2671	14166	6427	4849	0	1250	2503	1846	1723	2211	3858	2140	245	0	2822	0	1333	10277	6544	7997	9835	6782	5123	5881	7428	6801	33431	38775	4670	20250	32203	462	8309	7439	8683	12350	8869	7325	1372	12533	0	3203	12492	0	3334	11237	Organosulfur	0.36363637	1.0909091	0.0
10	C11 H12 O4 S1	241.0529	241.0532	-0.03107047	241.0529	4045	4649	4954	4586	13915	5519	2985	1054	8707	10280	4792	1440	15325	4694	1409	3174	2665	17240	12959	5015	7970	8753	2072	2426	4199	0	3174	4847	3158	2088	1294	1980	3221	2610	11061	1290	3590	1432	5849	8052	11418	2430	898	0	534	9090	7799	637	0	1585	4729	5649	9653	379	5735	7052	2641	3207	5261	11095	0	5683	6367	4657	3097	9393	2898	4564	0	1676	0	1206	1264	0	1832	2745	0	700	2287	10445	1980	7163	6045	4210	11151	5506	3393	5204	5247	2948	19029	19617	3530	13561	21403	531	3266	6995	6144	11428	9128	1936	2210	8663	0	1976	11047	0	2728	10270	Organosulfur	0.36363637	1.0909091	0.0
16	C11 H12 O4 S1	241.0529	241.05318	-0.12234466	241.05287	6523	12559	8523	10255	24597	18256	6340	1587	11740	15053	5620	2756	29035	10865	4338	4621	5884	34795	25377	12300	5859	17587	5753	3757	9549	1466	4977	6620	5716	3593	3095	3302	8155	2162	19656	3682	12509	4552	5332	8274	5954	9659	770	0	435	4464	5539	472	4616	1965	9420	7696	22043	410	8774	13748	7992	12830	11594	6051	0	7542	6818	11209	5665	17673	9653	6821	0	2167	1513	0	2593	2092	3569	3006	428	2477	4227	18471	1864	7650	4500	6096	15898	10669	10097	13542	12781	0	38963	34295	0	12196	26877	424	10337	12316	13884	13157	13617	10975	2553	9813	5063	0	20275	0	5932	22301	Organosulfur	0.36363637	1.0909091	0.0
18	C13 H8 O3 N2	241.06078	241.06099	-0.10906468	241.06075	10855	9698	8447	6781	9893	7046	9975	7788	4592	4946	1655	6617	2438	3946	6901	21290	13049	22482	56795	0	0	9521	6406	18721	6091	0	5556	0	5624	4513	8992	8982	19314	8039	0	7128	9533	6088	11662	0	0	6372	441	449	0	2716	0	572	14800	8825	9681	10339	8260	0	0	1316	3954	21095	0	2544	21865	0	7601	3732	5116	10283	8245	15976	0	0	0	10649	5472	1657	6221	7230	0	5242	17524	2006	11516	0	1497	0	7183	4478	22165	17386	17304	42842	37273	16278	16076	1677	0	533	11657	8728	2236	4750	6243	9317	6930	0	0	22311	1338	0	12899	6730	Unclassified	0.23076923	0.61538464	0.15384616
12	C10 H12 O3 N2 S1	241.06413	241.06444	-0.0960916	241.06412	48407	45922	46804	42120	64268	51334	81232	61565	29511	9520	10949	65642	23010	9867	46406	34221	200637	88349	77880	14009	14971	28576	49763	36726	24538	0	43208	0	82721	35463	68755	62496	243302	84746	28896	61766	184220	52642	277392	1750	4620	74932	0	0	0	9154	4952	0	89778	37030	47436	42233	92804	0	44852	11612	34881	59533	14344	11622	29482	0	10772	48940	27781	76383	69762	242086	0	2099	5246	69763	67002	34132	48159	62677	0	67566	54228	0	63663	9655	11764	0	15556	33990	42064	90913	88100	82968	5316	8050	66640	0	2061	0	40435	48933	29921	18478	19184	115639	67231	11341	0	98651	47155	0	36306	40883	Peptide	0.3	1.2	0.2
2	C10 H12 O5 N2	241.0819	241.08229	-0.10196881	241.08188	14282	16461	11185	13005	27904	17157	7534	15047	27116	3331	5285	14153	34474	13998	10269	4349	16314	37908	31846	5131	8966	16853	13483	12892	6018	1130	3157	3869	15984	9618	15257	14716	24769	14439	8440	12125	16733	8763	16765	5586	5144	19552	773	563	698	6402	4110	768	13648	8409	12638	13450	25870	840	29168	15848	14944	16647	5674	5818	7563	2236	52493	28480	15330	37606	24321	17804	1887	3166	3202	11874	13584	8159	2635	10818	582	8108	10576	0	8997	5319	4412	2234	20586	13356	10697	32825	28175	23960	6607	8569	31139	3860	1321	1331	15341	13209	18591	17615	19021	13523	11238	6644	3881	20817	15050	473	9820	62043	Peptide	0.5	1.2	0.2
10	C10 H12 O5 N2	241.0819	241.08218	-0.094837494	241.08188	33429	24929	28094	24285	27548	26491	34735	27433	33142	7984	10715	28238	39617	14003	41183	39139	53266	51598	44660	7311	7307	28379	42045	32371	33234	0	46051	11934	28748	18438	30700	27655	59848	31611	12861	25348	47299	42257	63006	6859	5584	25914	976	978	1725	9187	4981	1056	29632	22825	28445	28232	34108	1358	31789	17492	23259	37497	13174	12880	32090	3260	29886	31988	25695	38975	24274	68534	0	3449	4026	25717	24725	18960	25428	26284	1183	23601	39267	9599	31356	8477	9220	1147	23143	31065	39362	41554	31489	54917	24462	37641	59140	8346	7514	1219	32177	30465	19944	17299	16304	38758	32017	9944	0	41588	25734	1593	37040	49069	Peptide	0.5	1.2	0.2
8	C10 H12 O5 N2	241.0819	241.08221	-0.09861819	241.08188	29441	36756	27951	28375	38422	34483	22735	33479	41133	11434	12003	23941	40761	15795	25574	37949	49356	54972	47570	10943	12469	33212	31125	34197	17749	1199	22185	10076	28084	20970	27834	33498	46073	33283	16203	27586	45233	27544	58384	7868	12571	34908	1345	655	1074	11342	9640	911	36470	26938	26287	32444	43547	1341	41073	20085	24720	41839	13644	15961	41704	5278	46684	38880	22095	48735	32619	58913	3886	5802	3133	25228	23513	17625	27150	28700	951	19202	27463	26717	21282	8286	8648	3872	27998	23062	30884	45213	47100	68222	27489	32220	64360	9957	8852	1204	33243	28289	22980	24900	23158	42830	25030	19246	0	41307	35698	801	23050	74714	Peptide	0.5	1.2	0.2
12	C10 H12 O5 N2	241.0819	241.08218	-0.09198001	241.08188	7556	9358	11243	10215	10146	7947	8227	5968	9419	2671	2661	6746	9677	5789	13025	13101	12114	22528	12487	1224	2563	9231	10123	11740	9097	0	10056	0	8412	12544	12491	13436	17003	9708	3792	11864	21892	10699	16179	0	0	10540	627	1316	1335	2323	0	1212	16445	8813	14307	13082	12182	827	11020	3571	7233	13687	0	0	0	0	10931	8668	4688	13288	8172	12212	0	0	0	8812	5132	6782	11077	8481	731	7082	9813	0	8925	1725	5892	0	4677	6761	8218	11724	12056	23775	16876	18753	20606	3285	2142	1404	9903	9520	6464	4090	3820	20338	8079	6165	0	12197	6259	1346	8088	17939	Peptide	0.5	1.2	0.2
22	C12 H16 O3 S1	241.0893	241.0895	-0.09126999	241.08926	2571	2152	2412	2915	0	5110	0	0	1228	3375	2894	0	2099	0	2118	0	0	4290	2196	4639	4422	2814	0	1636	2482	0	1556	4550	0	0	0	0	2330	1989	4818	0	3184	1653	0	1914	2857	0	0	0	0	4607	4354	0	1782	0	2809	0	3270	0	2486	2588	1400	2524	3765	3855	0	2700	1671	0	0	3128	2981	1268	0	0	0	0	0	0	0	0	0	0	0	3147	0	4216	4677	2002	0	1353	2734	2085	1344	0	26214	24024	2181	3140	10200	0	0	2313	1619	4944	7444	0	0	4535	5858	0	0	0	1791	0	Organosulfur	0.25	1.3333334	0.0
12	C14 H12 O2 N2	241.09715	241.09747	-0.014717392	241.09715	4578	7531	5355	5329	2133	1145	3255	5292	0	3670	8913	2706	1098	1892	3813	17523	7014	1957	3499	7992	6801	6519	3098	43598	7583	4768	5836	0	3267	3281	5570	4813	5153	2434	3723	3347	4042	3595	6671	3549	6044	1522	0	0	0	11467	5698	0	3606	5116	4823	4114	1454	0	1287	0	1207	10488	0	0	0	0	1486	0	1179	1660	3601	8595	0	5013	7075	3254	2924	3351	4678	5057	0	2697	6791	0	5821	3606	1816	5000	1593	1123	7018	5385	2295	58671	5509	3658	43453	4501	6929	0	3813	4404	1306	0	1900	4831	3612	4155	0	15609	1390	0	11225	2098	Unclassified	0.14285715	0.85714287	0.14285715
16	C13 H12 O1 N4	241.10838	241.10866	-0.14403059	241.10835	454788	459552	426948	447429	720331	690989	477493	406674	773875	252915	192739	282005	943489	674590	485384	405799	343041	1086192	990179	342140	266504	257253	380565	281351	421777	90971	384842	215307	599995	452958	468803	579174	778734	500954	353467	571501	798693	375708	383386	215670	142865	495190	60561	39261	51206	177059	124641	48922	597168	357190	449707	436713	712424	40033	931499	582833	405738	582559	265616	167609	408347	127024	710739	643993	378660	829628	635419	329928	86495	150296	106224	429487	493645	574792	364967	512495	38350	328323	315833	208238	266620	171133	359750	204522	563958	456866	381720	449320	613948	270980	372977	413143	345391	156754	205852	56444	425087	478867	503720	554523	662018	713625	310431	318581	125019	360287	574931	39934	333815	961464	Unclassified	0.07692308	0.9230769	0.30769232
14	C11 H16 O4 N2	241.11829	241.11855	-0.1304272	241.11826	13747	13383	12890	11779	10399	7289	13426	17529	9836	3344	5572	9252	8154	7193	11520	20485	20412	16189	10775	4269	2877	7541	6984	14704	16185	1613	14966	7114	22197	14201	19634	23415	18639	19521	3107	21214	24468	11720	17487	2886	0	10762	0	1713	1901	4640	3821	1923	24305	14745	11903	14226	9986	1847	5199	3245	9272	26986	0	6052	0	1574	3679	6481	5522	8390	9583	20597	0	0	1621	16994	17204	15926	11722	20228	1375	13473	12783	0	8307	6215	8094	1974	5706	5317	10376	11141	15353	18934	45935	28955	29699	6416	4806	2531	13530	8365	4354	4292	4755	25018	15624	8118	0	22932	3986	1883	13044	8298	Peptide	0.36363637	1.4545455	0.18181819
22	C13 H20 O2 S1	241.12567	241.12599	-0.14611657	241.12564	2529	0	3198	0	0	2722	0	0	0	3710	2884	0	0	0	0	2093	0	0	1876	6291	4060	4553	0	0	1647	0	0	4584	0	0	0	0	1207	2008	4166	1330	1505	0	1236	0	2757	2297	0	0	0	5850	4589	0	0	0	3620	2166	1472	0	0	0	0	0	4000	5171	0	1814	0	0	0	2631	2789	1743	0	0	0	0	1512	0	0	0	0	0	1211	10633	0	5341	4175	3480	0	0	0	2140	0	0	31326	23101	1843	5387	8736	0	1754	2187	0	0	0	2607	0	4703	8251	1681	2228	0	1571	0	Organosulfur	0.15384616	1.5384616	0.0
24	C13 H20 O2 S1	241.12567	241.12593	-0.016421817	241.12567	1071	1190	1861	1826	1178	1102	0	0	1093	9540	4532	0	0	0	0	0	1478	1218	0	8510	8336	5315	0	0	0	0	0	7483	0	0	0	0	0	0	8601	0	0	0	0	0	1983	0	0	0	0	6884	4111	0	0	0	1185	1270	0	0	0	0	0	1491	4522	3579	0	1616	0	0	0	0	1552	0	0	0	0	0	0	0	0	0	0	0	0	7976	0	5498	2499	0	0	0	0	0	0	0	34058	29005	1997	8662	10012	0	1640	0	1106	0	0	0	0	4012	5825	1011	1059	0	0	0	Organosulfur	0.15384616	1.5384616	0.0
20	C13 H20 O2 S1	241.12567	241.12593	-0.03540246	241.12567	0	0	0	0	1696	2570	0	0	0	0	0	0	0	0	0	0	2208	0	0	4046	2029	3213	0	0	1858	0	0	2732	0	0	0	0	0	0	2785	0	0	0	0	1925	1510	0	0	0	0	0	6897	0	0	0	0	1890	2608	0	0	0	0	2425	3338	5322	2767	1278	0	0	0	1722	2830	2302	0	0	0	0	0	0	1746	0	0	0	0	10427	0	4217	2650	0	0	1964	0	2158	1345	3839	39679	21607	0	5864	5874	0	0	2032	0	0	0	1552	1140	3532	3325	0	0	0	0	0	Organosulfur	0.15384616	1.5384616	0.0
6	C14 H16 N4	241.14478	241.14505	-0.35347512	241.14468	0	0	0	1385	0	0	0	0	0	0	0	0	0	0	2239	1639	0	0	0	0	0	0	8586	2672	5135	0	0	0	0	0	0	0	0	0	0	0	0	1996	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29789	0	8307	0	0	0	0	0	22241	0	0	41757	0	0	24278	0	0	0	0	0	0	0	0	0	0	0	0	4576	0	0	6750	0	Unclassified	0.0	1.1428572	0.2857143
14	C12 H20 O3 N2	241.15466	241.15488	-0.17766356	241.15463	3069	2817	3406	3852	1762	0	4364	3767	1699	0	0	2619	1728	3117	1411	5980	6038	2631	2505	0	0	0	1509	4328	4272	0	2924	0	2521	3534	3241	6425	5881	4472	0	3238	3806	3187	5256	1508	0	2604	0	0	0	2480	0	0	4767	4030	4120	2603	3333	300	0	1854	1515	6746	0	0	0	0	2953	0	1214	3801	3074	7617	0	0	0	3234	2698	1724	5516	3536	0	1916	3529	0	2621	2155	3899	0	0	0	4468	5197	3024	8664	20060	13245	7096	0	2187	0	3534	2356	2225	2722	2335	4672	2384	2294	0	6750	3576	0	5847	2584	Peptide	0.25	1.6666666	0.16666667
14	C14 H24 O3	241.17982	241.1801	-0.10594249	241.1798	1703	1634	0	0	0	2307	9055	0	0	0	1500	1306	2484	3667	1872	0	3783	0	1643	0	0	0	1919	0	0	4706	9980	0	2961	1856	0	0	0	1401	0	1738	0	1473	2269	0	0	1856	0	1977	1906	1559	0	2160	1550	2458	0	0	1692	2632	0	2035	615	2183	0	0	0	0	1433	0	2425	1345	2445	1582	0	0	0	1929	2588	1975	1489	1580	2436	0	0	0	0	2346	18189	28606	1326	0	1932	0	1447	3950	2706	0	0	0	0	1935	0	0	1939	1568	1901	0	0	0	0	1240	1322	2155	1522	2527	Lipid	0.21428572	1.7142857	0.0
16	C14 H24 O3	241.17982	241.18004	-0.14517924	241.17978	2715	4244	5100	0	3682	4052	31188	6793	1319	0	2838	2393	0	12538	2952	4094	5299	0	0	0	0	0	2370	1987	2963	9818	23562	3671	6008	5345	6641	4819	2445	4542	2300	7613	2184	1883	3138	0	1617	2432	4708	4020	3830	1200	2166	3461	9414	4852	2591	3845	1799	4831	0	2082	2412	7463	0	0	0	1095	1958	0	5933	2808	7650	5057	0	0	0	4273	4421	7315	5635	4567	4049	0	0	17109	1138	3035	38903	45441	1658	2052	4950	3289	3111	0	5312	4831	0	1711	0	3706	4314	3427	1788	2135	3984	4143	2400	2272	0	0	1345	3248	4283	0	Lipid	0.21428572	1.7142857	0.0
18	C14 H24 O3	241.17982	241.18004	-0.17680353	241.17978	10262	10539	11140	8183	3256	14200	98496	10224	1058	3262	3476	5244	6219	46393	6030	7325	12524	4724	0	3268	0	2965	2670	4361	7121	29614	110623	13129	6329	9383	6887	7646	6763	7082	3141	7677	6707	7988	17150	4366	2581	11273	18960	5278	5389	4983	8374	4774	10706	6936	9822	10788	5942	9088	0	10438	12301	6675	2595	10486	10570	2129	10221	0	31852	13669	21246	17910	3077	0	6056	5926	5010	15574	22201	9171	7363	2233	5254	32128	2940	8283	67066	221420	6144	12325	10309	5036	9401	14255	16365	13663	2872	3267	4865	6828	8941	8389	14713	6597	9239	6666	4543	6337	4709	7612	6184	5082	3058	3061	Lipid	0.21428572	1.7142857	0.0
16	C13 H24 O2 N2	241.19106	241.19122	-0.07372943	241.19104	0	0	0	2310	0	0	0	0	0	0	1426	0	0	0	0	8935	4809	0	0	0	0	0	0	0	10776	0	0	5093	0	0	0	0	0	0	0	0	0	1325	8539	0	0	0	0	0	0	0	0	0	0	0	1590	0	0	0	0	0	0	2575	0	0	0	0	0	0	0	2614	0	9109	0	0	0	0	0	0	0	0	0	0	1527	12254	0	0	0	0	0	0	16832	0	0	40398	5418	7752	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14042	0	Peptide	0.15384616	1.8461539	0.15384616
8	C13 H24 O2 N2	241.19106	241.19136	-0.19173124	241.19101	14275	14345	9061	13192	5326	6394	15001	18848	1869	1172	1562	11760	1141	5571	8728	32369	31827	5452	6338	1358	1381	7099	8803	38511	16905	409	16346	0	21343	18730	20864	26669	32450	12507	2169	24628	33836	9470	42146	0	0	3871	0	0	0	3945	0	0	25132	17983	15005	10736	6365	0	1349	977	1623	36080	0	0	25984	0	0	2417	2084	3550	5391	42451	0	2146	1790	9026	12196	15990	27384	23209	0	9873	12986	0	9885	0	0	0	1007	0	18523	6486	7597	36900	0	0	39598	0	959	0	11350	12249	3112	564	0	32961	8992	0	0	26831	3394	0	17197	2364	Peptide	0.15384616	1.8461539	0.15384616
22	C18 H24	241.19508	241.19531	-0.12837747	241.19505	11305	12613	8993	10618	12952	6288	23752	12499	6843	2136	4906	12151	3796	12499	16027	20161	31851	6136	10722	4831	4989	11771	9145	14884	12496	7349	22376	7252	12542	15904	12061	14931	13693	12650	5674	13462	9453	13799	36531	5765	11649	11547	0	0	0	8427	10425	0	13640	18760	11445	12883	10483	597	8129	9570	12752	22360	5569	16250	14764	4504	7146	7510	12241	8141	13972	37433	6209	4206	12778	6521	9310	13221	23982	17660	356	8722	18609	15821	15094	11508	15593	11315	19666	16250	26372	11139	10755	81090	27908	22862	23992	9589	13361	0	8867	13200	16931	15963	24040	17509	11440	7341	6480	15089	14199	0	23247	4711	Lipid	0.0	1.3333334	0.0
20	C18 H24	241.19508	241.1953	-0.18161799	241.19504	5225	4140	3668	4920	2091	1282	11222	4382	3575	0	2714	6149	0	2715	5466	7224	12872	2624	0	0	0	5066	2713	4778	5238	2267	10576	0	4585	3995	1619	3824	5995	2807	0	6352	4004	5121	13187	1762	3113	2391	0	0	0	0	1978	0	5697	4393	5236	3117	2624	284	1759	2328	4358	7288	1485	4310	5578	0	3166	2217	2937	2891	4536	8849	0	0	1840	2261	3145	3258	10272	5179	318	3383	6781	9266	3910	1524	4971	0	1889	5704	13331	2176	1968	39056	11478	13247	10224	5998	3646	0	2835	4464	6095	3785	5390	4687	4536	3504	0	4939	2527	0	9072	1757	Lipid	0.0	1.3333334	0.0
22	C15 H28 O2	241.2162	241.2164	-0.15754828	241.21617	2724	2516	2377	3075	0	1332	60315	2586	0	2321	4026	0	0	28602	2303	0	1612	0	0	0	0	0	1091	0	0	10972	64462	10494	1678	1987	0	0	0	1802	1430	0	0	1625	1458	0	2182	1840	9152	5425	6669	1490	5650	5859	1387	1858	2048	1696	0	8186	1600	1796	1857	1442	0	3865	3027	1818	11722	0	22959	0	2804	1847	1756	1787	4134	0	1885	0	0	1513	6447	1230	0	10291	0	4228	22900	34504	0	0	2291	1389	1279	1370	6172	5545	0	2107	0	6539	1571	3142	3612	0	0	0	2340	3364	1563	0	0	5847	0	2734	Lipid	0.13333334	1.8666667	0.0
20	C15 H28 O2	241.2162	241.21637	-0.10123888	241.21619	0	2482	3126	2621	0	2172	51746	0	0	0	2401	0	0	62477	0	0	0	0	0	0	0	0	0	0	0	7272	56748	3659	0	0	0	0	0	0	0	0	0	0	0	0	2508	0	4046	3190	2717	0	1736	2824	0	0	1766	0	0	3418	0	2718	1929	0	0	2795	3169	1429	0	0	57204	0	5571	1248	2474	0	0	0	0	0	0	0	3238	0	0	7220	0	2008	19256	33393	0	0	0	1336	0	0	5149	0	0	0	0	3582	2150	4236	2412	0	0	0	0	1924	0	0	0	3524	0	2321	Lipid	0.13333334	1.8666667	0.0
14	C9 H7 O5 N1 S1	242.01176	242.01201	-0.11316304	242.01175	3869	5166	2484	4103	6360	3153	0	5270	2459	0	0	6505	0	0	3257	9518	8882	4546	5808	0	0	7149	5896	6919	1582	0	957	0	1616	6425	6931	0	5617	3932	0	1849	3981	3482	7249	0	0	7225	0	0	0	0	0	0	8268	6347	3580	2632	5301	243	0	0	3236	7758	0	0	0	0	1700	3063	3605	4625	3991	7872	0	0	0	6616	3311	0	4729	2725	0	4041	4777	0	2601	0	0	0	0	0	4849	6048	6444	29863	0	0	20491	0	0	0	3392	3267	2746	0	0	0	4691	0	0	15550	1836	0	3089	3707	Organosulfur	0.5555556	0.7777778	0.11111111
4	C10 H11 O6 N1	242.06592	242.06631	-0.08049819	242.06589	10404	11907	8808	8842	18754	9521	3501	6437	19082	2824	4401	5093	25576	7323	4986	9030	11438	24459	19442	4003	4603	9901	7957	8034	3082	1153	4228	0	7470	4446	7348	6084	11456	6448	5543	6659	10382	4011	10818	3632	3505	12538	1248	657	1378	5112	3125	1129	8001	6165	8707	7647	15816	1116	16850	17155	9735	11119	4076	3712	10374	1873	37791	20374	12340	22351	11409	10045	2259	2046	2023	6133	5962	4644	4649	6076	682	4392	5816	0	5242	2819	2225	1101	15110	9914	7147	16575	17966	11643	3430	4386	11986	2708	2261	1723	9451	10627	14869	19248	19730	9704	5824	6049	3389	8858	15956	929	3639	44165	Phytochemical	0.6	1.1	0.1
8	C10 H11 O6 N1	242.06592	242.06624	-0.100049816	242.06589	22422	28897	23286	26338	45441	33998	13075	20025	57433	6512	12581	21680	60225	19159	19449	37905	34894	69163	68015	6126	9193	17257	24353	22745	10523	635	15332	4076	17304	17074	19923	21991	33502	20800	9792	14911	38036	17076	40038	3729	6838	38500	1113	906	1190	6595	5584	1013	24708	16411	24831	30221	42655	1087	52030	28156	25107	30048	6222	7918	35554	2492	92155	60670	25459	59517	39343	41575	3081	2775	2905	20082	21287	15083	21486	17163	728	14980	21848	4639	13933	4548	3834	1689	33523	20531	22170	46793	48266	41344	0	12888	42932	4070	4020	1063	26503	26035	31099	32458	32645	37010	21042	8514	0	31445	30022	726	12138	116599	Phytochemical	0.6	1.1	0.1
2	C10 H11 O6 N1	242.06592	242.06633	-0.08084462	242.06589	3944	4354	2127	3547	10610	0	2265	4557	9266	1045	1135	3605	17038	6155	2187	1285	2553	13158	9327	1516	2362	5632	3270	2372	1389	409	0	0	4268	2612	4177	3690	6759	4621	2484	2948	4857	2130	3012	1760	1225	5799	635	486	760	2016	1910	700	3818	2027	3429	3432	7899	819	9781	4928	3206	6604	1606	1162	1930	1047	18953	10253	3718	15014	7353	3652	1228	1220	769	3420	4368	2712	541	3095	689	2111	2638	0	2956	1156	893	704	7034	4330	3143	8396	8529	4083	0	2843	5493	1235	530	1330	4115	4174	5397	7078	7210	3661	3007	1915	1204	4880	5754	693	2231	23451	Phytochemical	0.6	1.1	0.1
14	C10 H11 O6 N1	242.06592	242.06616	-0.09928326	242.06589	9790	7062	9706	5544	16222	13970	6444	6551	11630	1982	0	6579	7451	8112	6653	6912	6481	15162	19023	1755	0	5913	7114	6153	4006	0	5177	0	5438	3930	6011	10139	11256	7442	0	6160	8247	6772	9036	1605	0	10159	0	976	1382	2782	0	1648	6909	3541	6777	6266	18418	1240	11459	5001	7056	9390	0	0	0	0	13140	14579	7194	37576	11378	8195	0	0	0	5720	6974	3245	6603	5600	1054	5020	4880	0	5827	2013	1318	1168	8105	5718	7429	19745	13573	11961	0	7969	11488	0	1550	1411	9612	4786	6679	5717	5620	7265	7250	1829	0	10792	6367	1210	7147	19920	Phytochemical	0.6	1.1	0.1
12	C10 H11 O6 N1	242.06592	242.06618	-0.1316537	242.06589	10801	16691	13568	13471	18089	11950	7739	11592	15309	3927	6973	10145	20584	11665	9046	13802	18622	23926	21503	4781	3322	7667	15927	10156	6776	0	10726	0	9276	9670	10841	13460	15878	8632	3535	9601	17046	11766	20673	2626	0	14129	1469	1007	1392	2047	0	1227	12514	8077	10270	12951	14504	1263	17651	9778	9047	14290	0	0	0	0	25148	18210	10964	27931	11511	18607	0	1797	0	12454	9999	6990	14722	10680	772	9685	11430	0	11659	2389	3061	0	13796	8753	16569	17370	14365	17229	5518	7234	20533	0	3022	1196	11416	13346	9375	10395	10852	16165	11371	4573	0	16340	11664	1078	8200	38686	Phytochemical	0.6	1.1	0.1
8	C9 H11 O5 N3	242.07715	242.07741	-0.20469216	242.0771	4987	4731	2654	5665	2711	3346	2849	6349	2860	0	0	4390	2995	1507	3101	11988	7095	4977	8319	0	0	3973	4646	12523	2179	0	3770	0	4655	4267	7090	7053	7661	7761	0	5123	4801	4033	12331	0	0	3718	0	0	0	0	0	0	8153	4683	4816	5303	4251	0	3159	962	1999	11132	0	0	9474	0	3582	2684	2420	5287	4038	10392	0	0	0	5945	7541	2737	7347	7810	0	2580	5558	0	3817	0	665	0	1450	0	6153	6924	7186	20216	0	0	14406	0	0	0	4921	5105	2183	967	0	6396	3427	0	0	9783	0	0	5466	7331	Peptide	0.5555556	1.2222222	0.33333334
18	C14 H11 O3 N1	242.08118	242.08142	-0.13702963	242.08113	10444	8168	7826	6294	3325	2717	8378	5516	2759	5969	10901	3442	1774	3181	3441	7673	5847	4460	7667	6946	15736	5854	2114	8491	5275	2891	5595	8368	7069	2374	5491	4213	7019	4545	8523	3938	9930	3575	7073	15202	34116	5308	846	676	608	8530	11003	1389	5521	4349	5689	4981	2558	978	2416	3587	2012	4274	1516	11708	9980	10510	3926	2667	4248	2399	3436	9970	3446	3107	8864	2832	3056	3549	3744	0	736	2664	7810	13334	5930	8589	3853	13146	3149	1944	8561	6464	4985	22181	7429	5167	14943	11003	6406	1300	6091	3304	3911	4460	4008	5550	2635	5599	5283	5583	3710	796	6936	5206	Phytochemical	0.21428572	0.78571427	0.071428575
16	C14 H11 O3 N1	242.08118	242.08142	-0.15052153	242.08113	7052	11545	6614	8776	7176	4143	4820	2842	3917	13452	13197	2109	2463	4196	2037	7381	5161	7032	8160	15024	15938	10506	4986	7516	4941	7274	4814	11775	2971	4340	2709	3629	7146	2706	12167	2675	5626	3460	5567	12909	23496	3777	997	798	646	8384	18182	943	5194	4247	5064	7996	4512	617	3113	3023	3653	7454	3882	13871	6632	6392	5842	0	3021	4827	5383	6189	4383	7839	12394	6304	2510	1685	2075	2609	688	2440	8228	21983	5220	13215	4722	9184	3739	3181	10909	7206	5423	30666	14916	14668	0	18339	18290	880	4746	3470	2974	2504	2471	5529	2136	5926	6086	0	2532	776	7174	3559	Phytochemical	0.21428572	0.78571427	0.071428575
22	C14 H11 O3 N1	242.08118	242.08136	-0.10032987	242.08115	2825	2870	4750	2430	1292	2028	3110	1209	1484	0	0	2036	0	0	3814	5843	4794	0	0	0	0	1593	2586	7661	8073	0	1980	2163	2157	2771	2916	0	4903	2032	0	2294	4094	3689	5596	0	1567	4048	0	0	836	0	0	0	5113	2216	2874	2641	3069	649	0	0	1788	4284	0	1603	6328	0	0	0	1827	1476	2315	8254	0	0	0	1280	1131	0	2042	2282	437	2629	12527	1691	6953	0	2549	0	0	2059	12367	5862	3039	31321	0	0	10647	0	0	0	1786	2414	0	0	0	7942	2951	0	0	10603	0	0	12014	0	Phytochemical	0.21428572	0.78571427	0.071428575
6	C14 H11 O3 N1	242.08118	242.08151	-0.12584543	242.08115	5035	5502	4421	5808	2942	3237	3516	6650	3294	8079	8850	2619	2753	1861	3872	12450	4869	5638	5018	7744	8449	4115	5870	11456	6290	2280	4286	8097	6097	5451	4493	4816	8616	6370	7646	4199	8314	5099	7612	2841	3852	5907	0	551	654	4246	6219	514	7982	3741	6319	6028	5188	482	3675	2637	3282	12538	0	2148	9060	1467	3435	2303	1866	3998	4762	9592	1943	2947	0	4527	3595	2375	3844	5584	438	2903	6618	2817	6240	2353	1483	3879	2429	2116	9752	8649	5762	32701	0	1712	22556	3839	4327	700	5732	4914	2958	3149	2429	7591	3877	1439	0	12358	1650	456	5140	3394	Phytochemical	0.21428572	0.78571427	0.071428575
14	C14 H11 O3 N1	242.08118	242.08145	-0.11270971	242.08115	18963	14739	17980	21175	11449	7631	23238	18961	11703	18491	20078	16596	4804	8900	13956	29381	43557	13508	14161	11980	15190	20717	15775	21665	15162	10977	23346	12645	15177	10921	15056	22383	38978	14566	15888	14837	31332	15019	54519	14069	24452	20267	0	506	803	10268	12307	818	21534	11759	23640	19043	16513	580	4178	3679	11329	31504	0	7863	23219	5809	5841	8383	8492	11957	17223	57759	0	10647	17195	10371	10947	7487	27530	11964	501	9912	34214	18107	28308	7959	6020	12101	5329	9424	48669	29384	22267	69359	12766	11158	40766	11212	15719	1072	13608	16374	7049	5355	7923	22337	13992	7183	0	29797	4374	672	27729	9370	Phytochemical	0.21428572	0.78571427	0.071428575
0	C11 H15 O3 N1 S1	242.08453	242.08488	-0.086866885	242.08452	0	0	0	0	1156	26980	0	0	968	0	0	0	0	0	0	0	0	1276	1091	0	857	0	0	0	0	0	0	607	1536	0	0	0	1651	5327	1098	0	2641	685	985	0	0	0	0	0	0	0	0	0	1341	0	0	0	1061	0	0	669	0	0	473	528	0	0	0	0	0	0	0	1288	0	0	0	4719	2904	0	0	0	0	0	0	0	0	0	0	0	937	0	0	0	0	0	1070	1371	0	1110	0	0	0	0	432	776	1097	0	0	0	0	0	841	0	0	1714	Organosulfur	0.27272728	1.3636364	0.09090909
14	C11 H15 O3 N1 S1	242.08453	242.08482	-0.12836474	242.0845	5843	8578	7465	8208	0	3594	3969	1332	2038	13673	7661	2423	3418	0	1168	3006	2725	2629	3350	7672	10819	17407	0	3982	2371	0	4500	0	1601	2484	1979	0	5242	3084	9486	0	5599	1546	2415	11783	20535	1688	0	0	0	12065	18806	0	2850	0	6835	3878	3722	0	0	1154	1639	8525	9778	13478	0	7367	0	0	0	2978	1985	4857	0	0	2586	3188	3499	1458	1655	2064	0	1547	2326	0	0	13313	11221	8924	1105	0	3095	2889	4451	0	32377	46850	2162	12523	28860	0	9307	0	2942	1830	1763	3179	2043	8808	0	6001	1920	0	3740	3330	Organosulfur	0.27272728	1.3636364	0.09090909
12	C11 H15 O3 N1 S1	242.08453	242.08482	-0.04939251	242.08453	4672	6275	4353	7469	4089	3082	0	1289	1883	11050	9373	1036	1215	1733	1425	4089	0	4209	2796	13110	6830	15005	0	4704	3267	1866	3373	0	1744	1838	1915	1908	3430	3660	5466	2520	6566	1174	5427	13836	18408	1891	0	0	0	9232	22933	0	3619	0	6818	6892	2782	0	1557	1029	1089	4330	0	9889	0	7837	1897	0	0	1979	2072	0	0	2786	1446	2565	1609	0	4243	2114	0	1305	2282	0	1025	10202	5846	7947	882	898	2706	3736	2426	4843	36551	35280	0	12227	35973	0	6463	5598	1745	1837	1196	8831	1214	10898	0	2927	2406	0	2283	2557	Organosulfur	0.27272728	1.3636364	0.09090909
8	C13 H11 O2 N3	242.0924	242.09276	8.99874E-4	242.0924	7570	6312	0	5044	1701	1401	5601	11875	1059	3395	4251	5515	877	1566	4936	23165	10879	2020	4228	4573	3389	10081	7187	20877	6938	1281	8664	4907	7045	5271	6102	8353	7765	7314	3968	4957	7750	6151	17054	0	4023	4415	0	0	0	5786	4722	0	6840	7913	6905	3567	3756	0	1031	0	0	9740	0	962	18537	0	0	2055	0	2286	2632	14365	0	1272	1749	9004	6895	3642	6810	7768	0	4436	9711	2972	8799	970	923	2979	1075	0	9804	6881	5257	33296	0	0	23397	2414	3351	0	5117	8512	0	746	0	7797	4198	0	0	13296	0	0	13396	0	Unclassified	0.15384616	0.84615386	0.23076923
10	C13 H11 O2 N3	242.0924	242.0927	-0.05662307	242.09239	2054	2561	3929	2454	1075	1354	4483	3622	0	1139	3586	4246	0	0	2973	13852	8338	0	0	1905	2308	4527	4236	16666	5685	0	3651	0	3901	2803	2374	3503	6430	4403	1367	2921	2621	3432	9520	2211	4514	2850	0	0	0	4687	5140	0	4569	3888	3839	3079	1819	0	0	0	1567	10653	0	4177	13601	0	0	0	0	0	1219	8849	0	0	2212	0	1619	0	5413	2409	0	2306	12841	0	6147	1166	1339	2424	0	1107	9889	5862	1747	29726	2719	0	17436	2070	2362	0	2781	4686	0	0	0	6743	2566	0	0	15858	0	0	10968	0	Unclassified	0.15384616	0.84615386	0.23076923
6	C13 H11 O2 N3	242.0924	242.09273	-0.053097863	242.09239	5659	6092	4765	5734	1466	3074	7334	9891	797	4423	5803	5269	807	2014	5554	16961	11537	1529	1419	3645	5175	2567	6043	17268	12773	1161	8234	5029	9175	6662	11057	7196	11169	10017	2601	6975	15554	5399	14856	1948	2258	4023	0	0	0	4270	4724	0	14918	8326	5924	4842	3305	0	758	0	1485	10113	0	976	15328	0	0	0	1001	1403	3898	20315	0	1826	0	6606	4838	3811	8895	4427	0	4673	5485	0	6355	718	323	1799	713	1433	4952	5558	4703	14667	0	1674	15256	3310	2472	0	4409	5946	699	0	1005	14370	5329	1409	0	13603	438	0	7767	913	Unclassified	0.15384616	0.84615386	0.23076923
10	C12 H11 O1 N5	242.10364	242.10413	-0.082356684	242.10362	393175	381263	377500	359931	506147	406533	314541	492899	508736	194975	184943	284593	558851	256363	439827	647982	338908	699502	603604	228088	221481	289776	505426	466014	431582	25555	427877	185857	633219	525761	517907	714817	804916	677072	246243	632006	733018	365009	398069	150999	162328	425574	12619	5126	6811	168364	109582	6081	581361	414860	407214	387016	462432	7580	603259	243179	211397	709164	158866	132064	642710	84940	405532	391487	213021	501629	413964	370782	43125	99198	71567	570360	603798	605671	363754	539134	4990	311207	285768	146187	275767	127981	127519	68878	284120	340586	457516	482739	512709	288415	264363	302653	544812	130476	162237	9150	393604	429650	302688	242391	263854	719752	354583	247383	70451	539101	396636	5242	345670	664421	Unclassified	0.083333336	0.9166667	0.41666666
18	C15 H15 O2 N1	242.11755	242.11775	-0.13845816	242.11752	5231	4641	4014	4307	1982	2267	2377	3022	2043	16753	19040	2201	0	2134	0	3711	5027	0	0	7476	14044	8585	1908	3606	1721	27697	2063	24304	0	4024	1445	3736	4047	0	9919	0	3265	2517	3576	11725	24244	2431	640	0	369	4962	10860	0	7027	2348	8115	4825	3569	265	0	0	1961	3807	1634	9519	6026	5323	0	0	1145	1594	0	6569	19100	12311	26446	1641	3108	0	3120	0	323	0	2741	15281	2336	6768	4163	8572	1505	0	1914	3135	2561	11544	5841	6011	5860	20490	18260	421	3523	3037	1471	1882	0	3346	2930	5584	4027	5145	0	343	1948	0	Phytochemical	0.13333334	1.0	0.06666667
16	C15 H15 O2 N1	242.11755	242.11783	-0.08420134	242.11754	5258	6683	4427	5454	2514	1650	2629	4357	2684	18452	22770	2514	0	3449	2564	5697	6330	2635	2870	10883	17165	8127	2385	3421	3372	28650	3133	24272	5520	3273	5974	3174	6493	4628	13818	3480	4415	2423	5406	15621	24869	2894	790	0	0	5894	12553	0	6063	3418	6249	6140	2723	0	3065	1121	0	7898	1298	9578	0	6111	2793	1181	2563	1471	4127	7127	19070	23324	32391	3131	2846	2918	2407	3536	0	3812	3806	17424	3185	6690	3571	9045	1841	1697	3197	3169	4060	0	8088	9412	0	18562	16113	527	5264	5560	1715	0	0	5428	2643	4277	4826	0	1043	0	3667	2247	Phytochemical	0.13333334	1.0	0.06666667
14	C15 H15 O2 N1	242.11755	242.11781	-0.18466009	242.11751	5201	7076	2965	5474	2694	1689	3949	2384	2627	10704	10464	2831	0	1312	2122	3886	4190	3601	1670	8824	14383	7312	1901	4849	3660	17746	3696	10378	2623	2582	3341	0	6072	4090	12232	3992	3189	2979	4532	9250	16122	2473	0	350	230	4299	7784	0	3303	4070	3845	5719	3508	272	0	1253	2570	5323	0	0	0	1980	0	2875	1243	1785	2161	3903	0	20078	25319	3289	2512	1171	3527	2919	0	2531	2015	0	1740	2254	3451	9839	1568	0	3978	3091	2575	15922	5539	3113	6901	4542	17516	0	3408	2600	0	0	0	2447	3002	2829	0	4818	0	0	3941	0	Phytochemical	0.13333334	1.0	0.06666667
4	C9 H15 O3 N5	242.12477	242.12517	-0.103937574	242.12474	2504	2077	2467	2297	8017	1976	1056	3425	629	4900	2181	2035	843	2258	2014	2602	1665	3581	7236	2853	4167	3781	2807	3017	1182	0	1101	0	1696	1851	2420	2629	2940	1570	6331	1966	1309	2330	6963	6719	10737	651	0	0	0	5659	10390	0	1663	2102	2131	2856	4245	0	2971	444	735	3008	4632	21879	2454	6159	3912	3453	0	1579	672	4626	0	0	0	1980	2255	1775	2527	1234	0	2013	2347	0	3021	9917	12351	5221	454	537	1082	1445	1148	1964	7438	5161	3038	1216	1460	0	1948	2367	1013	0	405	2861	2087	15213	14226	1693	2979	0	1198	1492	Peptide	0.33333334	1.6666666	0.5555556
20	C12 H19 O4 N1	242.13869	242.1389	-0.12119961	242.13866	7683	7857	7870	8594	5185	1962	7708	7363	2675	0	0	6201	3670	8698	12314	9666	7169	3283	3339	2068	0	5922	10611	6271	136455	0	4044	0	9055	7009	5572	5612	7591	7665	2644	5545	5653	9591	8726	0	0	6208	4108	3623	4072	2605	1548	4310	8458	2978	8018	5988	4063	4467	3506	3866	5198	16838	1784	2407	10964	0	3193	3491	4363	7277	2708	9764	0	0	0	7061	6495	7405	7647	7978	3884	5440	42612	21869	3227	4296	5034	0	2957	3400	167484	4886	3491	9517	7419	7066	16103	5175	2006	4060	7813	6914	5088	3639	2529	6803	7139	2217	3933	7163	3797	3851	291004	4056	Lipid	0.33333334	1.5833334	0.083333336
18	C12 H19 O4 N1	242.13869	242.13892	-0.1197871	242.13866	12906	11057	9236	12016	10878	14721	9093	25664	4920	0	3007	8657	12332	11881	21082	16217	18307	17921	17122	1828	2160	8547	12281	17645	22784	0	9076	6172	23072	18872	20700	21548	24420	20810	0	21389	20909	11526	12611	1742	0	15766	3668	3257	4435	7116	5815	4209	19676	14934	8618	10754	13887	4462	8412	4468	5941	24118	5752	5947	21579	2975	6122	7968	7055	13287	10743	13321	0	0	0	19491	16227	21617	13722	20582	4105	10139	9664	25942	5245	5071	6985	2124	6748	9652	16188	13778	15170	12348	22023	15459	16022	11010	2291	3260	6320	10433	5117	5813	6040	20625	12942	4993	188094	15296	9689	3159	20631	9770	Lipid	0.33333334	1.5833334	0.083333336
8	C11 H19 O3 N3	242.14992	242.15019	-0.19550282	242.14987	6166	6954	5878	7891	1011	2740	7420	17857	1723	1413	3443	3803	1181	1233	4404	9979	10452	1160	3657	2033	1456	7044	6009	6066	3256	0	7869	6794	15331	6395	6415	9901	11299	5578	1648	12020	8385	4551	11846	0	2270	2095	0	0	0	0	1639	0	13251	8396	5738	6756	2177	0	0	1392	2922	9793	0	1934	7056	0	1224	1281	1887	1973	3198	11073	0	0	0	11052	3703	7225	15049	10589	0	5696	5460	16766	4726	1318	892	0	1398	0	8397	2988	3096	36096	29251	9010	23383	2579	2846	0	7391	7902	1179	1059	0	6018	4087	1647	0	10001	0	0	6825	3170	Peptide	0.27272728	1.7272727	0.27272728
4	C16 H19 O1 N1	242.15395	242.15431	-0.22605002	242.15388	5137	3979	5040	4201	260	1029	1885	6050	0	4409	2489	3325	0	0	1610	8876	4790	577	1370	6926	8209	2831	2333	6924	4525	2175	3062	3055	5534	3988	4398	5804	5475	5078	5640	5587	6329	3036	4186	3118	0	2337	0	0	0	1417	1094	0	6325	6216	4587	5142	983	0	257	0	636	7161	0	0	8386	1046	0	317	1316	574	1533	7965	851	2094	2712	4951	4220	5384	9137	4421	0	2589	4090	0	3291	0	0	3485	0	230	3236	2110	1763	65467	4479	0	95552	1164	3497	0	3947	4382	0	0	0	4544	3180	911	0	31020	0	0	3622	0	Phytochemical	0.0625	1.1875	0.0625
12	C13 H23 O3 N1	242.17506	242.17532	-0.16911308	242.17503	6646	4261	3615	3005	5580	2044	4297	11177	2354	3756	0	3654	3731	3060	6926	13856	19408	5624	5733	3859	2503	5240	1771	8998	6381	3615	8519	8182	12063	10774	18695	6904	11106	15287	4254	9537	7045	15429	14954	2152	0	1160	1195	3501	0	3379	0	419	10991	6993	4189	6079	5449	707	2429	2150	1896	9123	0	0	0	0	3714	1299	3736	4826	3559	9103	0	3097	4758	8885	5988	7980	11879	10139	349	10225	2007	0	2845	3109	1465	2398	3307	75619	6655	4591	2947	6714	8582	5238	7655	2844	4200	0	5334	6829	3503	3069	4090	13574	6107	0	0	7051	4585	1151	5406	1108	Lipid	0.23076923	1.7692307	0.07692308
14	C13 H23 O3 N1	242.17506	242.17534	-0.162412	242.17503	9383	7596	7262	8965	4330	4472	13497	7700	1334	4578	4327	8155	3125	4593	5185	14659	17254	4065	2436	2822	3326	0	4360	6372	14185	4062	15207	9465	9010	8369	13070	15984	14498	13973	5077	10396	20348	15295	18549	0	3130	4794	4125	2597	481	3139	4380	601	17485	9399	6220	8075	5871	1654	1537	2686	2578	21171	0	0	0	1839	3226	1699	3976	4151	5188	22133	0	2191	2801	3457	10441	12285	15021	16792	506	8987	5496	0	4660	3932	4379	4658	2344	5220	14707	6360	5169	21660	10154	10528	8824	2602	5070	615	11498	6147	1755	4469	5360	8286	5838	2807	0	12606	3979	1104	8717	3488	Lipid	0.23076923	1.7692307	0.07692308
16	C13 H23 O3 N1	242.17506	242.17534	-0.11750277	242.17505	16230	13679	11700	15255	23736	15356	25203	15953	7112	10031	9303	14020	5883	17593	12257	30860	51323	15567	8618	13042	10263	7373	10732	16464	17426	4407	22921	10301	19091	23817	14583	23910	35475	27186	6782	27419	27015	19472	54091	2524	3506	17060	2773	2010	519	7166	9116	2749	28063	20952	14432	12976	21260	1882	4809	3808	7620	31338	1291	7811	26963	1088	10967	5993	10250	21419	20216	38858	0	0	2734	11898	17154	30625	38957	24703	459	9656	19597	15079	7098	5346	12617	10992	7183	17042	48642	18385	21944	0	12281	10873	0	6757	8910	985	17744	12334	14083	4340	10977	37276	9170	9035	4944	17683	17020	926	17145	16108	Lipid	0.23076923	1.7692307	0.07692308
10	C12 H23 O2 N3	242.18631	242.1865	-0.1575675	242.18626	3338	3443	3958	3455	967	0	3167	16882	0	0	0	2985	0	3467	9904	19699	0	0	1526	0	0	1365	11150	23952	16042	0	2154	6865	5143	6527	7177	5914	4205	1290	0	7367	4320	7853	1154	0	0	906	0	0	0	3802	0	0	8411	11793	3587	3795	0	0	0	0	0	32710	0	0	22969	0	0	0	3546	0	1275	0	0	0	0	0	1808	4118	1789	6971	0	5239	4282	0	2633	0	0	0	0	0	5595	1270	2406	3781	6734	0	12404	0	0	0	3752	3165	0	0	0	6265	5236	0	0	8261	0	0	5894	0	Peptide	0.16666667	1.9166666	0.25
12	C12 H23 O2 N3	242.18631	242.1864	-0.25749522	242.18623	0	0	0	0	0	1021	8325	0	0	0	0	0	0	0	2364	0	0	0	0	0	0	0	0	0	3023	0	3606	0	2671	0	1766	2005	44916	1496	0	2488	24762	2649	0	0	0	2653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	845	0	0	0	0	0	0	0	2350	0	3589	0	0	0	0	0	1184	0	0	1124	0	0	0	0	0	0	0	0	0	1262	2547	6287	12574	3806	0	0	0	0	0	0	0	0	0	0	0	22020	1243	0	0	0	0	0	3419	0	Peptide	0.16666667	1.9166666	0.25
12	C14 H27 O2 N1	242.21146	242.21164	-0.18081868	242.21141	6026	10321	4990	5561	1135	0	0	0	1701	1672	0	1079	0	0	1321	0	8723	2141	24067	0	0	4367	1233	0	7816	0	1538	0	3063	0	3623	3926	36636	3788	15065	2137	13222	6070	10170	3834	0	1549	0	0	0	2143	3661	0	1795	0	3723	8046	6085	0	0	0	1313	7005	0	0	0	0	0	0	2951	10950	2724	10582	0	0	0	0	1975	0	4284	2957	0	1319	0	0	0	0	0	2838	0	3691	5069	6982	25300	0	12698	0	5763	0	2449	0	1593	0	0	0	0	16904	2062	0	0	11921	0	0	1553	4923	Lipid	0.14285715	1.9285715	0.071428575
10	C14 H27 O2 N1	242.21146	242.21173	-0.16322374	242.21141	28009	27576	24274	22910	8278	7024	16593	55546	3066	6037	5261	9456	4084	10370	32512	134362	36415	10429	34727	11555	7896	0	6578	1833	18289	2524	17624	6553	41657	4761	104717	68035	505545	69994	10642	39240	494494	9474	39158	5266	0	14190	0	0	0	15113	35380	0	20732	2214	28356	25203	21806	0	0	0	6268	139198	0	0	134774	0	0	5281	23249	8771	8199	38514	0	7257	1253	39404	6678	5575	19547	7305	0	11738	44663	4781	9088	595	0	5067	1400	24900	79865	50806	172143	8952	17442	0	20282	2394	5517	0	29393	30327	1348	730	1140	386834	7537	5095	14827	73167	724	0	10858	2504	Lipid	0.14285715	1.9285715	0.071428575
8	C14 H27 O2 N1	242.21146	242.21172	-0.14228708	242.21143	4282	3500	3069	2986	2056	3212	2109	3422	1580	0	0	898	1743	38259	965	0	0	2245	2614	2052	2097	918	0	1046	2906	763	2130	0	9662	11070	5567	6425	29128	5934	3004	9373	36172	0	0	2402	0	1202	0	0	0	0	0	0	3965	3114	3877	3354	4702	0	0	0	0	2393	0	0	0	0	0	1119	0	0	2033	1475	0	0	0	8510	18471	20070	1259	18861	0	2715	0	0	0	0	0	1757	0	0	1390	1383	3491	3505	0	0	1999	1492	1124	0	4167	4444	889	0	0	12096	926	0	0	6460	0	0	1599	860	Lipid	0.14285715	1.9285715	0.071428575
20	C14 H27 O2 N1	242.21146	242.21172	-0.05458047	242.21144	0	0	0	1639	0	0	1383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1573	0	0	1761	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1994	0	0	0	0	0	0	0	0	6093	53593	0	0	0	0	0	0	0	57813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1817	0	0	0	0	26137	67568	0	0	0	0	2167	0	0	0	0	0	1680	1461	3279	14260	98239	0	0	0	0	0	79822	0	0	0	Lipid	0.14285715	1.9285715	0.071428575
14	C14 H27 O2 N1	242.21146	242.21167	-0.13735764	242.21143	2585	3959	5990	2295	0	0	0	60381	0	0	0	0	0	0	2386	6424	0	0	0	2042	0	0	6839	41080	1951	0	0	0	18530	27645	46037	0	3622	4683	0	9879	9873	0	2175	1221	0	0	0	0	0	6661	0	0	13900	23052	2060	2937	0	0	0	0	0	21262	0	0	18957	0	0	0	0	0	0	1968	0	1836	0	52682	23872	67386	0	17726	0	3303	0	0	0	0	0	0	0	0	1188	0	0	0	11359	0	24243	0	0	0	2837	4150	1109	0	0	0	1925	0	0	25347	0	0	0	0	Lipid	0.14285715	1.9285715	0.071428575
14	C13 H27 O1 N3	242.22269	242.2229	-0.08367785	242.22267	0	1781	2439	1468	0	0	2031	11029	0	0	0	6719	0	0	3950	6640	2443	0	0	0	0	0	2006	7625	4195	0	3463	0	12791	15863	9139	15723	7735	11902	0	18539	10577	2425	1818	0	0	1202	0	0	0	0	0	0	11105	17796	2053	2932	0	0	0	0	0	4726	0	0	0	0	0	0	0	0	0	8661	0	0	0	16161	16458	25801	6332	14042	0	5158	0	0	1947	0	0	0	0	0	0	0	0	0	0	0	4465	0	0	0	0	0	0	0	0	6343	5911	0	0	6739	0	0	1295	0	Unclassified	0.07692308	2.0769231	0.23076923
8	C13 H27 O1 N3	242.22269	242.22296	-0.20342758	242.22264	14481	23905	22214	22048	0	2739	25918	6864	1349	2266	2061	3321	0	0	6118	26457	214742	0	58929	2531	2132	5581	15543	13855	9338	0	31744	3597	14983	6412	14256	37887	137217	1363	3295	29682	148128	5785	270103	0	0	17898	0	0	0	6643	0	0	13704	3698	22574	18407	9944	0	0	0	8259	62731	0	0	7001	0	0	2382	11037	0	24783	307251	0	2768	6429	0	0	6714	37166	6692	0	3585	5782	0	8018	0	0	0	0	9583	8194	39230	26691	4853	0	0	42892	0	0	0	20778	23664	0	0	0	141032	2883	0	0	57991	0	0	7017	1357	Unclassified	0.07692308	2.0769231	0.23076923
20	C16 H35 N1	242.28423	242.28444	-0.20074566	242.28418	2527	2417	2810	2261	0	0	0	0	0	2722	5567	0	0	0	0	0	0	0	0	6701	4646	0	0	0	0	0	0	2346	0	0	0	0	0	0	5197	0	0	0	0	2252	0	0	0	0	513	7954	26862	0	0	0	3112	2924	0	1078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9101	0	8338	0	52798	0	0	0	0	0	0	11046	0	0	11690	9335	982	1714	2527	0	0	0	0	0	2470	736819	0	0	0	0	0	Lipid	0.0	2.1875	0.0625
12	C16 H35 N1	242.28423	242.28448	-0.009116148	242.28423	2271	3069	1808	0	0	0	0	0	0	0	0	0	0	1946	0	0	0	2136	3440	0	0	0	0	0	0	0	0	0	0	0	0	1287	0	0	0	0	1330	0	0	0	0	930	0	0	0	0	0	0	1316	0	2360	0	1385	0	0	0	779	0	0	0	0	0	0	0	0	0	1179	0	0	20262	76393	0	0	0	0	1090	0	0	0	0	0	0	0	0	0	0	0	2159	1943	0	0	0	0	0	0	0	1913	2993	0	0	0	1907	0	0	0	0	0	0	0	0	Lipid	0.0	2.1875	0.0625
10	C16 H35 N1	242.28423	242.28465	-0.20428556	242.28418	0	0	0	0	0	1403	0	1514	0	0	0	847	0	0	953	2201	0	0	0	0	0	0	0	1586	935	53444	0	0	1319	0	0	0	0	0	0	0	0	0	0	0	0	1983	792	0	0	0	0	0	0	1274	0	0	769	0	0	0	0	0	0	0	0	0	0	0	694	0	4545	0	64174	61175	1811	0	0	0	0	0	0	711	0	0	0	0	0	0	0	597	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	2.1875	0.0625
14	C12 H6 O4 N2	243.04004	243.04031	0.12925465	243.04007	3470	6758	5297	4536	3546	0	3110	5245	0	0	0	3413	0	0	2655	16171	7670	2191	4230	0	0	6648	1862	8974	3449	0	4653	0	4289	4060	4663	6620	5853	3999	0	2547	5053	3162	8381	0	0	2679	0	0	0	0	0	0	9154	3744	7693	4823	2201	0	0	0	2400	15761	0	0	0	0	1533	1833	1774	3124	3152	9792	0	1500	0	5337	4167	1904	5649	5480	0	2480	3951	0	3345	1036	0	0	0	0	6913	5490	3873	46560	0	0	30343	0	0	0	5366	2363	0	0	0	3103	2277	0	0	18389	0	0	9107	2174	Unclassified	0.33333334	0.5	0.16666667
10	C10 H10 O7	243.04993	243.05028	0.091057815	243.04996	11480	10889	12505	10299	44558	24841	4605	3038	47983	2048	5186	8240	79510	28494	7424	3891	3829	47889	48149	1892	4555	3716	9576	4599	1806	0	3254	0	3487	3951	5836	4239	9697	3831	4074	2049	9850	5913	4820	0	1737	15643	1317	954	1507	1911	0	1350	6514	4365	10346	11914	30941	1543	39776	27585	13381	5409	0	1866	0	0	73914	38969	11241	48818	17399	5516	0	0	0	5077	5427	3548	3631	3474	1052	5334	9992	0	8131	1968	0	0	46076	16474	8963	17286	18960	3297	0	4121	1975	1605	2274	1472	11438	13534	23355	42447	43912	8195	6139	2790	0	6280	26775	1452	2272	83517	Phytochemical	0.7	1.0	0.0
14	C10 H10 O7	243.04993	243.05023	0.08081953	243.04994	4147	1919	3142	4832	15373	9406	2725	1834	13997	0	1807	4115	27368	11008	4659	0	0	15898	12344	0	2850	0	3888	0	0	0	1811	0	2664	3317	3477	0	2864	1870	0	2457	3715	3635	2922	1137	0	6977	0	1170	1339	0	0	1929	1638	0	5052	3347	9148	987	16587	11546	6580	3361	0	0	0	2056	21910	13003	6259	18061	8937	2822	0	0	0	1705	1923	3622	2851	2251	1018	2708	5317	0	2974	1073	0	0	10615	4758	3414	3967	6598	0	2931	2371	0	0	1828	1620	3721	2671	8372	14990	9730	2922	4032	0	0	2279	7395	1433	2869	27252	Phytochemical	0.7	1.0	0.0
4	C10 H10 O7	243.04993	243.05035	0.07987449	243.04994	3649	3508	2977	3791	14680	4792	929	839	8904	0	0	937	26632	5859	932	1447	1772	11052	11304	0	898	1081	1982	2570	600	242	0	0	1296	1132	1217	1467	3981	1589	1530	1558	2168	1629	2114	866	564	3121	0	518	950	1384	0	982	1312	1323	2772	2731	7367	705	8739	13763	4113	2660	751	581	1629	0	22982	9261	3447	15249	3934	1401	1183	0	0	991	992	1317	0	1141	696	1520	3078	0	2063	890	442	0	16853	5323	1671	4563	4846	0	0	1243	800	1002	0	1309	2436	3197	9648	22449	22486	2110	2046	0	0	1370	9137	548	927	27086	Phytochemical	0.7	1.0	0.0
6	C10 H10 O7	243.04993	243.05031	0.029781962	243.04994	7738	9569	6121	8576	36614	14855	2730	2805	29174	2009	2353	3089	58257	17582	2815	3273	2383	36397	34309	2508	2159	2253	4643	2416	893	0	2423	0	2782	2916	2912	3452	6697	3090	2505	3073	6607	2342	2894	0	819	10127	0	467	973	0	0	644	3502	3762	7798	9216	17414	826	21578	30811	11423	3194	964	901	2823	0	58163	24181	9100	43656	14732	3639	0	0	0	3580	3683	3040	1238	3220	579	3278	3403	0	3373	1072	778	0	36454	8908	4248	12193	14053	2729	0	1834	3917	2092	1809	851	6736	7898	16814	41031	47741	6562	3728	0	0	3629	20448	523	1532	72892	Phytochemical	0.7	1.0	0.0
8	C10 H10 O7	243.04993	243.0503	0.07500347	243.04994	12373	13126	9322	13907	55147	25765	3984	5307	48751	2306	2996	5923	92437	29561	4399	6261	6030	44753	52326	2210	2323	3987	11782	4171	2079	0	3059	0	5014	4089	7075	6063	9933	5590	3707	4491	8963	5247	4773	1715	956	17761	937	679	1148	2663	1456	893	6530	5304	13586	10390	29424	956	36214	37083	15381	4153	1229	1843	4890	0	88604	45565	13881	64192	20221	5453	0	0	0	6029	4536	3755	5189	5038	829	5255	7321	0	4198	1112	646	848	44271	14787	8301	19002	23431	2829	0	0	3638	2160	1790	1090	12910	12994	30357	54204	59195	10166	5868	2715	0	5989	35302	1167	2757	96693	Phytochemical	0.7	1.0	0.0
12	C10 H10 O7	243.04993	243.05023	0.08782969	243.04996	8350	7042	8401	10952	29476	16405	2160	2377	26242	0	0	4409	42112	22038	4735	2917	3909	32069	40444	0	2384	4400	8192	0	2002	0	1249	0	2581	3731	4209	6645	7938	4922	2586	3833	5578	5776	4131	0	0	11120	1099	863	1517	0	0	1267	4380	3012	7335	7648	21990	1100	27482	19337	11949	6755	0	0	0	0	58601	25761	9967	36622	18372	4919	0	0	0	2432	3550	2254	2175	3639	1020	4656	5639	0	4047	2123	0	0	23626	14255	5105	11330	14107	0	0	1960	4014	0	1194	1322	8500	7667	19133	25557	19432	6723	5740	0	0	5148	15317	1216	2324	55979	Phytochemical	0.7	1.0	0.0
16	C14 H10 O4	243.06519	243.06549	0.06646733	243.0652	45899	53903	43028	46397	67435	47985	36094	34918	62029	63140	42907	29310	73957	44567	39531	54239	36341	101750	95307	52639	48193	63057	46786	46324	34548	33353	32969	35640	35677	30764	37537	34590	58488	28303	75413	29885	53060	34521	36982	50470	33639	43273	6618	4559	7509	34991	30376	7204	42007	25322	50724	57036	56079	5527	57121	43789	40467	59639	27763	23128	46447	26829	71557	55390	31014	81084	59996	41940	28092	47581	41601	28559	31454	26719	30034	32651	4939	27454	59514	47402	44300	41875	25780	29183	63010	43869	62494	51192	61410	56168	48144	46110	53981	43583	65134	9701	48336	51864	44580	54403	53334	58047	29384	33266	21078	37895	44791	5523	38603	82408	Phytochemical	0.2857143	0.71428573	0.0
12	C14 H10 O4	243.06519	243.06552	0.065874904	243.0652	33362	42506	36348	41346	38689	25599	26937	22915	44636	38913	39923	22149	38531	25239	27117	38827	28068	52585	61034	39306	44962	70119	29123	31416	23858	21972	22119	25568	25698	19240	22443	26967	38242	27200	59118	23738	34336	29033	28712	39304	35679	27016	5188	3240	5060	25531	29964	6740	32987	23232	38603	37004	35409	3964	49213	34224	30359	39462	19757	22541	27463	22225	59774	37713	21122	48648	30281	30971	24249	36426	45696	22807	18728	18117	26357	26516	3786	20494	37698	25367	36404	32327	19918	18747	34794	27236	45607	33078	39910	50758	42414	37570	47153	34104	41164	7644	40584	37376	36354	45912	48137	36103	25463	27312	0	28345	29490	4182	24602	57290	Phytochemical	0.2857143	0.71428573	0.0
10	C14 H10 O4	243.06519	243.06554	0.08365012	243.0652	26375	25007	19918	22264	25722	16002	15912	21376	26926	28657	23022	15733	31906	14336	14795	23829	19752	35631	36938	28882	28598	29619	19555	22646	10890	15003	16731	15643	18937	15119	15865	15023	29524	14276	38207	15116	21950	18578	22211	23738	25408	19120	5809	4898	6115	18282	22559	6229	17113	13112	22735	24833	21945	3530	35918	24562	18074	24514	17943	18504	28108	16391	31471	29643	17728	27185	16070	25729	19976	21865	32044	15170	14489	12318	15900	19527	5310	14736	25580	18618	25701	15631	13833	11246	29928	19691	25345	17685	23178	28354	19345	18364	25172	23297	26982	6794	24724	27264	27078	33626	26519	23101	17270	15254	15327	17753	20693	4288	16165	34008	Phytochemical	0.2857143	0.71428573	0.0
20	C14 H10 O4	243.06519	243.06548	0.07521817	243.0652	37346	35036	31066	26716	35102	32072	27685	43970	27074	26733	24315	29987	40438	28608	37817	57377	40266	52653	55157	22709	17081	38280	31262	38163	32638	18770	27119	20313	41198	44486	40820	35757	48331	31928	30229	38502	38553	27688	41824	20824	20601	33026	9056	6872	6720	22767	17268	9051	37106	43843	32900	36719	31508	7248	33409	22075	25132	58156	14279	12850	60133	10750	36328	23011	22037	40883	43173	38159	15042	23801	21384	45930	29178	23703	29934	36711	5058	25445	49175	25707	31503	17525	14341	18863	30954	24347	65312	38853	38740	114257	26360	23446	60528	14893	23017	12334	28705	35470	30603	32472	33417	48585	28622	21063	14836	53264	21547	6846	49270	45656	Phytochemical	0.2857143	0.71428573	0.0
12	C11 H14 O4 S1	243.06856	243.06891	0.093868114	243.06857	6832	5807	4855	6937	10259	9312	3828	0	6714	7537	4563	1716	10591	5814	3454	6764	4643	13334	9962	6531	6334	15289	2301	0	6381	958	6057	0	3786	2019	1861	4385	5598	5114	10301	2583	7470	3327	7806	4628	5118	4423	355	0	295	5383	8037	0	6132	1074	9621	8582	8064	0	7556	3923	4037	9120	5006	0	0	3418	5921	3675	2828	9821	3907	7064	0	1611	0	1801	2710	1767	3818	2780	0	1699	2795	0	2403	9824	7210	3448	4344	5998	6578	7537	6063	0	37109	34909	3705	10768	31817	0	8123	7486	6382	8382	7549	5781	2301	8359	0	5437	8518	0	3527	9096	Organosulfur	0.36363637	1.2727273	0.0
18	C11 H14 O4 S1	243.06856	243.06885	0.08377351	243.06857	4014	4382	3514	3497	4721	5961	3995	0	2644	2762	2715	910	6573	2938	2067	3263	0	7291	6152	3874	3460	5076	0	1983	3290	0	2235	4486	0	0	0	3589	0	0	0	0	3298	1624	2311	4061	4118	2503	0	0	0	3886	3851	0	2606	0	5314	4632	5553	0	1765	2690	1942	8638	6781	2506	2216	3548	0	1648	2253	4331	4527	1441	0	0	0	0	0	0	0	0	0	1059	0	6165	0	1661	3211	1855	2636	2806	0	3148	3109	0	22324	22049	0	3624	9231	0	3309	3793	4448	2897	2259	2101	0	6341	1660	0	2314	0	1470	4846	Organosulfur	0.36363637	1.2727273	0.0
14	C11 H14 O4 S1	243.06856	243.06888	0.07863647	243.06857	8286	10066	5994	5046	11688	9697	4171	1474	10552	14210	6409	1889	13839	6221	3778	4042	4345	22318	10933	8844	8205	13779	1333	2978	8419	0	3610	9121	1973	1623	2374	0	4523	4924	9091	4874	4679	2697	5182	7720	8739	5401	0	0	0	10007	15175	0	3219	0	6813	7759	11641	0	7501	5851	4443	7456	6157	8271	0	2386	5456	3715	3011	9769	5679	4783	0	2096	0	2580	2105	1319	2519	2493	0	1346	2621	15456	2162	7201	10014	4659	8161	4822	5853	7894	7831	4920	45812	32472	3797	13709	24533	0	6916	6110	9700	7503	5358	5382	2310	12168	0	3659	6660	0	6717	11392	Organosulfur	0.36363637	1.2727273	0.0
16	C11 H14 O4 S1	243.06856	243.06883	0.05608839	243.06857	6370	5089	3369	5513	12656	11895	2232	0	5635	7098	6852	2073	15837	6296	2708	2731	3691	19521	9617	9099	4688	11512	1938	3318	6018	0	2218	9737	2272	0	2454	0	6449	4985	10129	2711	6125	5054	5156	7382	7509	5940	407	0	0	7549	8552	0	3318	1491	7435	6277	8684	0	4815	3025	4372	9137	10488	6127	0	4417	4665	4685	2733	10306	5106	4476	0	0	0	0	0	0	2361	2380	0	1405	2849	5914	1938	7560	7100	3726	5395	6653	4813	7975	8386	0	40450	31646	0	12527	18802	0	7803	6883	6164	4716	3876	7283	1425	8378	4871	0	10589	336	3852	9411	Organosulfur	0.36363637	1.2727273	0.0
18	C13 H10 O3 N2	243.07642	243.07664	0.038892176	243.07643	2763	2611	1620	4565	0	0	0	3232	1105	0	1556	1738	0	1010	1890	4062	2246	2225	5850	0	0	4907	1385	1925	2634	0	2470	0	0	1711	0	3097	2067	0	0	0	2237	2208	3314	1327	6159	2096	328	481	605	0	0	610	1682	0	2680	2514	0	0	0	0	1712	4873	0	2140	3429	1660	0	0	0	2489	1557	5558	0	0	0	1886	0	0	0	0	0	0	6657	4269	3147	2518	2182	0	2256	1465	12324	4081	3181	31365	0	4724	8706	2115	1709	682	3860	0	0	0	0	2065	0	2224	0	5278	0	0	5008	0	Unclassified	0.23076923	0.7692308	0.15384616
14	C13 H10 O3 N2	243.07642	243.07674	0.06371097	243.07643	7644	12407	10745	9942	8709	5572	9201	11065	3455	4912	11096	7079	2123	2819	6033	17238	18771	7695	9720	5501	5346	13472	9602	15146	7880	1708	8245	7202	10530	9082	12475	14521	18509	11553	7850	8229	14556	7718	20288	7625	15435	9328	0	0	287	4928	4437	627	12103	9288	8751	14659	9208	429	2772	2124	4471	17792	0	9006	0	4585	6943	5364	6184	9334	9903	24048	0	2839	2830	11766	11556	7151	14380	12898	265	8336	15080	36299	10219	4580	3343	4417	4049	2487	14733	14868	11960	44293	11282	8725	35457	11069	11607	701	6300	10377	4059	3862	4173	13862	10904	8067	0	19842	2395	487	14869	5815	Unclassified	0.23076923	0.7692308	0.15384616
16	C13 H10 O3 N2	243.07642	243.0767	0.049259093	243.07643	6299	9587	5647	8501	2221	3641	4410	8115	1384	2422	3725	5858	0	2200	6986	9800	11593	4809	5592	3051	3378	16943	5538	13328	5072	0	7443	2995	5623	7773	6648	5864	7534	6300	3896	5913	10670	5412	17068	2302	7655	4361	526	723	475	6274	4362	698	8048	8120	7082	5473	5412	570	0	1407	2566	10170	0	6769	12069	3705	3300	2594	2231	3033	4956	14705	0	0	1928	5747	4321	2416	7212	4730	612	3392	12118	9914	6278	3378	3625	3922	1894	2056	12516	11112	5948	43773	5832	6980	0	5369	4105	693	4946	4796	2856	0	1885	5333	4726	3245	0	19481	1268	403	14024	2413	Unclassified	0.23076923	0.7692308	0.15384616
8	C13 H10 O3 N2	243.07642	243.0768	0.09418975	243.07645	9479	10521	8360	9024	6616	64604	7722	9288	6130	7269	6588	6206	4876	4843	7669	12569	26478	7016	15978	8375	9028	10090	5969	9858	6983	1740	8576	6852	9406	8071	13343	10416	21055	9659	9156	7907	23914	6765	32265	6026	9570	18271	534	325	0	3186	9473	336	17782	7991	8299	10938	13519	473	6649	3196	5583	9955	2151	4316	10454	4261	4516	6328	4651	10970	10715	27274	0	3650	7732	8248	6686	4272	7514	6514	0	5039	9907	5203	8146	3071	2442	5954	5056	0	12107	12062	11260	26593	0	0	17763	4848	6051	356	7296	8169	6431	4084	2870	25974	5738	2869	0	12791	3604	0	9467	5006	Unclassified	0.23076923	0.7692308	0.15384616
12	C13 H10 O3 N2	243.07642	243.07677	0.09165586	243.07645	5803	7542	1745	6056	2647	3790	3196	9527	2795	4722	5447	4209	2329	1888	4967	7290	10239	4863	5231	3919	8780	9641	3138	7336	6763	3498	3555	0	8457	7243	8814	6962	11829	8897	4284	5988	6506	5757	11151	4274	6760	5588	328	0	0	3511	0	464	9490	6604	5490	4867	4307	568	3560	2099	3218	11830	0	0	0	2568	3144	2248	3217	4276	5994	16675	0	3153	6932	8434	6253	4213	7678	5197	334	5087	7634	0	6954	3765	2580	3189	3010	2661	9138	5649	4047	20069	7211	7773	16905	6061	6248	0	3054	6983	1333	3323	3465	8930	7510	3287	0	11617	2971	408	10081	3023	Unclassified	0.23076923	0.7692308	0.15384616
10	C13 H10 O3 N2	243.07642	243.0768	0.16396871	243.07646	7940	7166	7073	7028	6431	4626	3867	6741	5184	5059	6830	4335	4808	2619	5740	11332	7711	7012	9687	3918	8126	10453	6984	12518	5012	1402	5979	5035	6965	8836	5024	9227	9021	7284	7022	6612	9075	4850	11531	7145	10168	6686	0	0	319	5600	6568	445	8958	8638	6323	8177	4784	407	1880	1983	2697	13612	2165	4295	12698	2585	4232	4289	3161	4540	3986	10590	0	3799	5462	6008	5417	4444	7194	8256	0	3400	8642	7292	6293	3540	2812	5443	4092	4438	9156	7640	6490	27396	5602	4096	18204	6501	10121	0	6243	6918	2405	2588	2379	10699	6245	5526	0	11091	1977	0	7502	3763	Unclassified	0.23076923	0.7692308	0.15384616
6	C10 H14 O3 N2 S1	243.07979	243.0802	0.10858454	243.07982	7566	9115	6399	7791	4320	10229	9377	7552	5994	3221	1208	5798	2801	6231	4564	12636	11270	12024	7847	2880	3745	6561	4988	11466	7185	769	9042	0	7250	7875	11260	11502	35103	11528	7608	6499	29987	4676	20436	2679	4542	5915	0	0	0	3908	3894	0	12241	6427	10897	6293	8666	0	3750	1257	2868	16219	3700	4842	9064	3146	3194	3683	1900	9308	10017	21582	0	0	2700	8553	7783	4813	2905	5314	0	5421	5741	0	6686	2670	3641	1131	2212	6124	7736	15424	10704	12580	4254	6405	17220	3675	3956	0	8216	6160	1537	1321	1949	23822	5652	6965	0	12059	3115	0	8918	5867	Peptide	0.3	1.4	0.2
12	C11 H14 O6	243.08632	243.08665	0.014148151	243.08632	184000	184540	201938	204949	446675	348706	144728	168476	585370	85163	89124	90395	569875	318895	195624	167418	121175	660273	580549	87666	106671	104908	200731	101102	134193	15184	133107	76169	232881	159598	179195	207558	310216	190188	126395	184019	245429	172457	130869	50928	49120	268977	15598	9287	13580	63365	51227	14047	173595	133754	198513	192902	416774	11730	655579	297060	208243	196776	88932	68901	200502	37846	585955	422938	182057	549927	296686	111036	22184	41173	35153	165585	186592	211963	122502	173633	8582	142171	105096	70055	90995	59391	80590	35338	329401	263789	144761	197557	302251	90521	121309	133175	108897	53041	64117	15603	200679	228686	311342	335655	359650	251052	137221	94955	37418	123113	364303	11536	78376	751142	Phytochemical	0.54545456	1.2727273	0.0
10	C11 H14 O6	243.08632	243.08665	0.014775803	243.08632	308443	281265	274333	257068	710917	521312	199653	227904	749829	134203	132105	167718	1138595	462635	231218	244275	184737	1077545	850888	151603	161120	111674	269683	142677	169644	21998	165499	134367	325515	286177	250310	296573	469077	308349	161282	294166	461965	198340	219596	78173	70024	396516	26525	9906	17066	84805	64769	13691	273237	200854	292342	304588	585369	14914	848741	461973	249853	343121	95293	83765	298330	45160	734859	658975	241484	894902	440591	200182	40841	55278	38123	247034	299116	336508	197104	274924	11765	183583	135582	120974	140583	72208	91839	42341	616969	428710	219578	329890	450032	88771	148174	165284	138841	97061	92124	18656	286406	305805	442010	650842	706686	407410	190558	152681	53583	186627	563190	12061	113878	1039893	Phytochemical	0.54545456	1.2727273	0.0
6	C11 H14 O6	243.08632	243.0867	-0.010174325	243.08632	110426	117556	100241	110645	475404	138378	66855	82906	496496	47969	53838	60392	693090	141369	65261	82369	99795	665342	601086	66445	76748	63194	76950	69702	37427	13229	61039	35857	102526	90303	79843	101669	147365	93441	69413	97160	130629	61772	215944	27961	38497	133025	10968	5430	9672	49315	47738	6817	98497	73292	109433	110097	382152	9063	522814	216408	112977	103451	52823	51904	99114	22052	638616	193476	80920	298498	296132	107892	24182	26158	30558	75167	88042	92234	65215	84135	7056	61583	58042	30926	49737	37615	47804	24689	225824	128843	73705	128727	315430	64401	57213	60901	62044	41098	39531	9870	106523	104875	160001	306699	354743	145988	65080	72422	39112	65493	451056	6782	41347	745690	Phytochemical	0.54545456	1.2727273	0.0
14	C11 H14 O6	243.08632	243.08664	0.04543655	243.08632	94042	102768	79992	100543	189164	181825	67228	77351	263801	40731	40054	54378	351740	168901	91445	70241	89355	275210	235962	59225	42217	46268	80969	46595	57073	12819	56774	34132	99994	71639	71435	108740	153862	77223	64848	94647	125243	74470	80667	32919	30417	118559	13473	9180	12489	46262	25970	13625	94766	59551	87558	78067	180472	10040	320129	159900	91028	101094	59712	37181	77905	22994	264267	219667	78562	245210	147054	63359	20312	19859	18316	70797	83632	95920	65995	84107	9204	62719	61795	37968	52075	36611	47742	23293	168294	105359	75182	96567	134774	48994	65491	66496	69617	32815	28716	15590	100068	99771	139003	181605	196674	133121	70247	57873	22248	63896	142525	11318	47925	301158	Phytochemical	0.54545456	1.2727273	0.0
16	C11 H14 O6	243.08632	243.08662	0.08374234	243.08633	43394	49732	44253	44676	74385	67325	38496	42965	91429	28528	21814	35309	117026	60431	50490	40164	44132	131270	99525	28621	23737	35086	56164	38375	37176	5622	29897	19589	51738	42490	45652	54363	69929	41031	29169	44758	69775	39112	45559	24096	20693	54328	10530	9257	14760	23225	18017	12961	50095	36063	46016	46302	66425	9089	104241	68840	45106	49694	28334	23825	41156	19575	97086	75330	36347	101611	60595	41685	13704	11776	16136	34132	45368	48961	35289	46078	11661	37805	35849	18087	36079	22876	26809	18505	68711	47899	48576	44152	56558	38509	36593	44324	0	19361	21963	11505	39618	55421	58767	63274	67960	58062	38743	27113	17683	37864	58041	10942	35782	127127	Phytochemical	0.54545456	1.2727273	0.0
8	C11 H14 O6	243.08632	243.08667	0.007199075	243.08632	175738	195591	132421	197303	430289	274151	114312	117531	480105	94799	85875	105043	693435	253616	112789	152331	178806	543269	528426	120831	128650	92371	133328	81156	65212	19973	98530	65376	177310	146569	116695	165624	255538	163484	131171	154164	249376	103684	192952	63747	74337	242137	14744	7401	12660	86928	75461	8926	172538	113445	176267	175019	339188	10353	502413	355118	193003	155400	76973	81637	145750	37562	548687	410032	166332	503965	271383	174558	32262	43079	42517	135770	171039	137603	127374	156992	7452	110191	96999	57870	78578	58460	80575	42810	415711	203000	133180	216924	293693	86511	90254	116875	99059	66220	70435	13514	184373	188484	326168	538491	561167	254970	111115	117208	50587	102846	405378	8675	69344	626589	Phytochemical	0.54545456	1.2727273	0.0
2	C11 H14 O6	243.08632	243.08675	0.058014218	243.08633	14436	16448	8933	14372	21600	13947	13021	14338	27017	6254	9680	11689	33284	22210	13826	8475	16050	30284	23686	6699	9007	13969	14435	14269	11044	4802	7917	6561	20325	14655	14588	15638	19774	19575	11382	16272	13515	10989	14378	9032	8142	21053	4503	5220	10013	11801	8278	7165	13005	9357	10680	13356	17343	5504	27908	27096	14572	15441	8939	7882	16469	5359	60980	22845	12116	60164	14402	17638	11163	5925	7407	22699	20385	17613	4831	17281	6313	10319	11666	3703	13971	13013	9386	4095	23390	16147	10315	19921	19696	14157	21069	10423	11798	6252	5877	12094	14253	15957	22138	31876	36403	16860	13852	7919	11568	11719	20079	5280	8787	63402	Phytochemical	0.54545456	1.2727273	0.0
16	C12 H10 O2 N4	243.08765	243.0879	-0.105206676	243.08763	75941	72671	73585	61642	48893	304379	38730	211059	10054	3823	18865	93541	5066	89574	61418	291651	33757	6485	11810	2245	0	39760	63178	204620	67153	0	65114	37813	91454	308912	255449	221870	68395	0	2678	224930	54367	46884	36512	2150	4101	157000	5095	3617	1413	26398	4707	2277	88676	184095	65783	75163	32936	3391	0	6398	54645	248966	1477	3068	267481	0	9395	4110	84085	21825	93492	0	0	6522	4490	300273	429734	365293	48205	204497	771	97690	95440	0	60809	2226	3480	0	4652	23194	158463	62538	46256	307822	49244	43480	174073	1558	0	2998	64551	60966	35570	3193	4930	80823	85127	3532	0	197973	14210	3957	89436	6164	Unclassified	0.16666667	0.8333333	0.33333334
6	C10 H14 O5 N2	243.09755	243.09793	0.038817853	243.09756	34673	33219	27298	31814	40829	30980	23039	35270	50878	10946	15410	23303	43326	16922	28629	37503	54441	78535	67173	15768	17589	32028	31738	33982	17713	1457	21235	13203	35686	24791	28774	31381	48525	31971	18092	30449	43698	27417	65068	7567	14008	37614	1320	503	776	17908	18480	721	37748	28798	34112	34375	44205	759	65199	26581	29569	39154	18119	22690	37460	7665	48849	34492	25335	48743	38124	64139	4010	6591	8007	25122	26102	25501	24950	26409	640	20355	20878	12679	18084	9813	13942	3859	31923	38899	31317	47805	44198	62397	32797	24646	65010	11189	9395	870	30195	32110	24543	21218	28285	49593	27294	23262	6709	39237	41967	479	22461	75267	Peptide	0.5	1.4	0.2
4	C10 H14 O5 N2	243.09755	243.09798	0.07126048	243.09756	25106	26764	21331	24053	35660	21258	11981	23061	41730	8514	12591	16110	40568	14961	14718	23062	47833	57732	46282	10878	13107	27041	19368	23284	11068	1745	14090	10499	18812	14906	19029	19320	27978	19593	15827	18420	28016	18967	61306	8090	9817	29273	1571	829	1024	10398	13947	800	21971	18881	25050	20170	32788	1081	49959	29788	24706	25383	16032	21818	25010	5802	48351	36149	25796	37842	23981	49572	3871	3145	3355	16253	18036	17983	14543	16005	652	12467	16454	8088	15023	8292	10367	3292	39838	28061	20296	39770	32664	43163	18911	22775	39930	6739	7732	1526	21391	29165	36568	28874	33100	27833	16239	18091	9220	26683	38301	627	15233	68659	Peptide	0.5	1.4	0.2
0	C10 H14 O5 N2	243.09755	243.09799	-0.038215358	243.09753	9782	13897	10829	10630	26084	25479	3211	17673	16451	3357	1830	7057	32233	13757	3220	0	3190	34315	27019	5115	10326	18118	7310	14416	5606	701	0	1491	19945	7350	16558	13883	41547	16203	7963	16624	22922	4390	4469	3426	0	22350	0	492	555	6663	1488	463	19410	7918	10173	10457	25173	690	14803	6206	4154	25134	3494	1386	7321	844	45684	18714	6024	25012	36922	5094	938	2308	0	12487	16332	9118	0	16805	536	6645	4182	2042	3294	1413	1880	0	5738	4556	5463	15322	28161	7057	12660	11660	19583	1379	0	757	10362	10272	5993	7697	7508	17082	5335	7880	1317	25813	7556	436	3507	73401	Peptide	0.5	1.4	0.2
8	C10 H14 O5 N2	243.09755	243.09793	0.094787255	243.09756	17787	19103	18521	21280	23203	16109	14453	23372	26041	5416	11956	18062	23069	11139	18624	28626	25655	36290	34049	12339	8611	23406	18159	23462	16811	859	16539	5808	18952	20489	19776	22739	25737	21720	14382	20792	26852	19634	30563	4071	9951	22550	758	648	896	8133	9150	660	25692	15530	14752	19046	23583	777	36364	16080	14384	23635	11372	13300	28908	4591	22715	26719	18394	26223	19456	34347	0	4905	2841	15985	17850	14839	20554	18870	395	12247	17614	6395	11271	7270	8340	2808	16854	16647	20667	30793	23760	44161	0	17753	43322	5437	6219	1006	15013	16928	17629	17646	15738	28220	17850	11767	0	29732	24548	685	14703	33527	Peptide	0.5	1.4	0.2
10	C10 H14 O5 N2	243.09755	243.09789	0.07981484	243.09756	7398	8787	10120	8825	9268	8974	7219	10746	9059	2121	5781	7823	9794	4097	9151	15930	15787	41301	13089	3223	3992	9063	10362	13842	9308	0	8763	3803	14668	8769	8978	12509	16223	12249	5883	10558	16087	9113	18043	3485	2984	8845	665	678	896	4151	4401	814	13805	10413	10072	13100	7959	1002	14267	5180	5754	16371	6027	6222	13427	2212	7333	8400	4370	12226	7533	20523	0	1926	1989	9384	8236	9209	11691	10704	709	8402	8571	0	5452	4383	3824	1458	7559	6655	12495	11141	12000	21464	6790	6188	18500	1324	2481	1296	8915	7866	6502	4725	5478	14806	9644	5574	0	14676	7675	639	10878	15655	Peptide	0.5	1.4	0.2
2	C10 H14 O5 N2	243.09755	243.09799	0.07966729	243.09756	29521	25707	24380	24673	52708	32848	10982	24692	49546	7211	9945	23415	59473	16513	19707	8234	25977	69838	55284	10274	15465	29149	24278	22603	12419	1247	3158	6000	26757	16029	26792	26958	48303	27768	15357	21107	37848	16905	26108	8843	7059	38080	548	348	584	10375	8646	557	28528	14050	26603	24202	46944	590	55520	24478	26621	35984	10598	11731	11557	3560	78278	49995	30784	61458	43217	30097	2135	4145	3660	25244	27830	18051	4677	20765	406	15491	17066	5669	13008	5785	6414	3238	30114	23081	18934	59097	50903	38667	18333	20131	51795	7003	3178	1070	24658	22280	30363	30513	28849	27132	19705	11752	6123	37489	28925	553	16509	116006	Peptide	0.5	1.4	0.2
18	C15 H14 O3	243.10158	243.10185	0.015177413	243.10158	231708	237394	200210	199463	253813	184655	160303	212392	168057	251206	225074	133149	251457	192660	182143	282178	191062	304281	337617	312956	269006	264203	200585	247053	163556	214502	149249	212941	224640	192823	188674	191896	269794	200428	272652	197439	261614	154390	227816	243365	233473	215197	25779	19081	35314	175283	181007	23788	213676	178058	240752	236843	223479	26834	219784	175255	161575	295534	133977	151770	253289	156378	233637	190219	129140	290721	270285	218154	184489	262470	277876	170136	153208	169932	168794	207990	31555	134848	241551	207867	186849	159198	137596	149209	212825	172159	265060	219616	214984	301404	265367	261633	327558	166860	262605	26396	223679	211060	183734	210567	219197	244391	140429	203470	92686	199483	144578	19451	180866	239520	Phytochemical	0.2	0.93333334	0.0
16	C15 H14 O3	243.10158	243.10187	0.020317147	243.10158	217490	243295	204461	229085	205637	152214	161869	198643	199014	259481	192950	137238	220934	165420	186696	258544	217990	249784	296515	327833	267673	246923	198024	225820	169233	272801	155290	167589	178699	173628	194541	204857	238523	167824	289008	181112	229781	152239	210310	235670	216294	166889	19054	11040	15122	166044	181363	16090	220549	185422	218295	223215	187929	13239	206620	169212	143389	271811	140513	164068	230154	138292	218138	172959	115703	240429	193845	188585	213963	330765	319592	171796	165760	176282	174803	209036	12177	135253	230626	171922	164976	164063	170919	177232	207494	149172	244755	188298	204562	291053	239962	225651	261326	169732	243623	16782	205659	231320	177283	217259	221735	245653	143980	197937	100681	190817	159670	12281	190930	235741	Phytochemical	0.2	0.93333334	0.0
8	C15 H14 O3	243.10158	243.10193	6.43581E-4	243.10158	49036	58783	34361	49349	36215	30533	37769	47224	47389	34437	33632	36580	38374	27353	39240	55867	56621	39445	44119	53382	49728	66210	45645	51610	32055	46539	40224	34449	48573	45598	41740	52013	46890	36175	59583	42566	48534	38397	60571	44531	53298	35032	11911	8465	12277	44703	57891	12061	54626	42997	46712	51230	34437	8463	47450	39379	37375	56384	37590	43427	56205	27743	41495	40809	27311	33496	30559	53462	55465	52581	74373	39283	42128	38631	37463	62971	9910	35868	60700	37116	56464	46390	46695	34039	40789	26832	50934	28470	40182	75710	32394	35912	66220	32242	37272	11731	45870	50079	42685	62065	58806	48682	43653	54428	26360	43121	37291	8264	39096	39837	Phytochemical	0.2	0.93333334	0.0
10	C15 H14 O3	243.10158	243.1019	-0.002375417	243.10158	104594	92145	74725	76950	68947	50937	72252	96859	74135	83603	72589	67571	66307	44589	70153	103327	88316	70588	83555	98625	101609	105688	74231	94490	60388	104813	78769	57562	81407	80924	74010	82530	99317	68425	101763	72360	84461	66777	107083	80926	99515	55681	17025	9717	13670	69953	81440	16111	88907	78884	90307	99229	60159	10039	87546	68763	51505	112711	75231	81410	102707	50251	67237	61803	41504	65357	49302	103100	108389	118540	144694	67109	65821	74364	84185	95256	11365	60076	100470	52920	99529	80266	76939	57314	83848	54747	91438	51405	64819	119965	68951	72824	107725	62744	86847	14774	79289	94131	70626	87558	87465	83963	69112	88488	56297	78980	66461	10755	67615	63350	Phytochemical	0.2	0.93333334	0.0
14	C15 H14 O3	243.10158	243.1019	0.032093883	243.10158	184137	206746	160837	186840	161980	106657	148996	188772	163662	197965	156115	122813	182743	107743	151042	200696	200693	189803	204195	249146	241813	235507	153817	191128	142839	262705	152075	128985	152680	159643	139021	180735	220157	137639	265382	157589	166943	142993	204058	202914	226825	121361	18448	10462	11410	159059	153031	15542	180958	149153	176633	166578	156614	10083	171086	131077	127515	215755	146758	145909	178753	126029	182986	152700	89431	172252	139908	203830	211300	267929	317170	144889	146588	145266	146696	164801	10839	121800	189165	149016	179466	144731	149230	157549	169821	111120	203941	130331	154917	254175	179005	168452	256828	137515	183128	16308	179284	174110	140113	197867	186951	178430	145811	185645	98264	164237	121288	12215	150064	162137	Phytochemical	0.2	0.93333334	0.0
12	C15 H14 O3	243.10158	243.10191	0.02138579	243.10158	123683	172398	135199	142715	108703	71074	118936	132946	110576	131220	112054	87806	92632	60125	102332	168733	143447	119415	147383	171523	171078	165247	123117	150357	99592	172376	129532	93602	118319	121496	118704	139068	148792	105549	178107	115268	124685	108239	159264	124960	171303	91483	16239	10135	11970	109728	129396	14925	139230	138758	157569	158059	106444	9017	129977	89088	92725	175082	92963	117894	161654	88504	126141	102828	68564	113086	88119	146684	158079	201338	243532	99394	109688	114900	135256	143601	8244	95814	145071	85608	142968	108441	117813	101035	111417	84014	156613	84701	104525	209736	136392	129156	171871	88630	149595	15292	157525	144084	109058	132129	130482	144452	106318	137759	64701	129342	86312	10730	109501	127626	Phytochemical	0.2	0.93333334	0.0
16	C12 H18 O3 S1	243.10493	243.10526	0.115750246	243.10497	2373	4533	4548	4635	4732	4974	2282	0	2554	10295	11824	1379	1988	3332	2010	4999	6827	6924	4181	10208	8995	4674	1697	2239	2759	0	1884	8107	0	0	2666	0	2591	2705	7095	2125	3197	1372	7361	0	2990	2780	262	0	0	2898	11391	0	4322	0	5670	3648	4361	245	2096	0	1624	3835	1555	6740	0	1624	0	1103	2734	6190	8795	6774	0	0	0	0	0	0	2453	0	0	0	3447	13836	1091	7188	4838	1769	3308	2828	8168	5668	4044	0	36967	17819	0	13349	13950	0	2549	4497	4071	1571	1428	7327	1846	5211	3912	0	3199	0	5088	4445	Organosulfur	0.25	1.5	0.0
20	C12 H18 O3 S1	243.10493	243.10521	0.02998766	243.10495	5685	1870	2607	1789	4717	7178	0	0	2529	6642	1564	0	0	4182	1339	4669	1361	9485	5029	7644	8368	10289	2060	2413	4947	0	0	3622	0	0	0	1748	2852	2535	5657	1641	2806	1258	1477	3066	3245	3094	0	0	0	10835	6462	0	2383	1946	1490	4993	5368	0	0	0	939	6177	7116	3917	2306	1862	0	0	0	8229	7578	2289	0	0	0	0	0	0	1455	0	0	0	0	5524	0	4976	2912	0	1637	2666	3027	2837	3400	1655	44561	38333	3162	6975	10594	0	3124	3045	2100	1236	1750	3517	1431	9954	6922	3747	1860	0	1555	2445	Organosulfur	0.25	1.5	0.0
18	C12 H18 O3 S1	243.10493	243.10521	0.019322496	243.10495	2927	6562	4731	4969	5417	12917	2646	0	3276	5935	4378	0	4281	4102	1377	6157	8742	7319	8333	7499	7028	6910	2173	3366	5665	0	4250	7478	0	0	1732	0	4800	4808	3209	2827	5034	2074	9433	1862	0	5655	0	0	0	3570	6707	0	3029	0	5326	4606	7852	0	0	1423	2205	5957	5505	5201	5383	1319	1948	1347	3160	9980	8379	9807	0	1438	0	0	2624	1573	4162	0	0	2040	4489	10671	1894	4985	2621	0	5615	3641	7135	10353	7524	6204	35587	22645	0	5595	14685	0	4513	4190	4869	2956	4403	4479	1938	5137	4114	4107	8016	0	6512	2536	Organosulfur	0.25	1.5	0.0
4	C14 H14 O2 N2	243.11281	243.11325	0.107390784	243.11282	8661	8454	7838	8596	3304	4671	6116	10812	3450	15976	16275	6693	2503	3249	8366	14331	14014	4701	7280	16056	19225	8507	8325	13702	10845	14766	5309	20999	8891	8695	9009	9350	11005	9069	15954	7769	10788	7377	15027	9901	10462	6614	0	0	0	8378	11594	0	11628	10458	9601	7686	5162	0	4137	1751	3592	12358	945	3742	12768	5073	3396	4037	2280	3662	5264	14204	11070	14207	16589	8188	7938	7787	13875	7827	0	7270	8715	17375	9300	2810	2797	7261	2503	3357	9043	8632	5237	21995	9988	3044	23659	10834	17291	443	8351	11197	3925	1902	1505	12086	7532	6412	5048	12483	2177	0	9274	2769	Peptide	0.14285715	1.0	0.14285715
12	C14 H14 O2 N2	243.11281	243.11311	0.034568727	243.11281	23266	33068	15097	24593	4570	6221	26626	18819	3011	12348	23892	10488	3254	3891	10476	23486	24971	6310	7484	14847	14749	11470	11484	20240	12679	13753	54908	13571	14636	11258	10112	15148	19283	17129	12547	16225	16229	9537	28409	14727	20041	7423	0	348	0	13383	16146	475	15032	17039	15456	32848	6330	391	2398	2249	6367	17765	0	15791	0	7229	2108	2638	3624	6285	8154	27479	0	14815	23281	13466	11932	11146	34833	13164	0	9042	16237	21211	13650	10675	8415	11969	3923	3545	15505	10652	8542	85431	20307	19218	40857	12613	16373	0	17115	23270	1974	3005	2749	18842	9810	12281	0	18900	3248	426	21062	3896	Peptide	0.14285715	1.0	0.14285715
8	C14 H14 O2 N2	243.11281	243.11316	0.04364563	243.11281	14487	15496	12791	14488	5872	10396	12720	14511	6135	22280	23735	10182	2996	6566	12987	30670	27912	5296	8286	24277	23021	12876	13509	27816	18106	16516	16945	24988	17262	16284	17075	16585	19910	15752	18768	14156	25046	13392	29532	14854	16330	12690	0	0	0	14450	17380	0	20740	16689	14382	13352	7861	302	3327	1957	5299	19269	898	6310	24204	6580	5566	3417	5681	6576	9896	38019	14267	24071	24506	18039	12660	8294	14605	13814	0	11855	15631	14837	16620	4791	3363	19010	4350	5419	14944	11720	9834	57359	23627	7134	44481	10638	18999	361	15981	11957	7081	3326	0	20209	10105	9449	0	26305	3108	0	15910	4115	Peptide	0.14285715	1.0	0.14285715
14	C14 H14 O2 N2	243.11281	243.1131	0.043802947	243.11281	14610	17064	16973	14116	3896	5265	26264	14096	1811	7723	11241	11609	0	3195	5975	23965	22292	8477	5701	11588	13299	20063	8380	21822	14936	13046	29968	9377	13877	11647	12957	14375	13185	16096	9425	12820	16537	7734	22693	11197	19347	6376	0	0	0	9180	12842	417	18781	12308	16198	17497	5718	0	2331	935	6352	24682	0	11879	24573	7468	1623	0	3226	3285	5774	28491	0	13431	26817	15337	13291	8743	17442	12219	0	8383	18760	15666	14481	7936	9588	13341	2366	0	19120	12539	10663	76147	15295	13705	43398	12075	21033	0	12314	9655	1440	1572	0	14872	9328	10999	0	30294	0	0	56856	3661	Peptide	0.14285715	1.0	0.14285715
6	C14 H14 O2 N2	243.11281	243.11317	0.008382006	243.11281	11286	12252	9087	12102	4569	5146	9261	13426	3393	26011	30679	8059	2765	4177	9390	17176	15911	5825	8920	27372	27111	12569	8792	17113	9593	22635	9478	31485	9967	10515	10394	10629	14213	12037	20461	11829	16387	9682	17399	11731	14118	6919	0	0	0	14686	17776	0	14898	11098	11998	13532	5236	0	2492	1238	4237	15667	0	4119	17567	6100	3805	3408	3465	3811	7014	18039	15613	20649	28218	10173	7454	7954	8072	8293	0	7332	11557	17199	7905	3715	3197	15916	2301	3509	10591	9202	8002	27504	28287	4815	24423	14288	24738	0	11268	11111	3238	2471	1307	17076	6394	9220	8908	16532	2540	0	9715	4404	Peptide	0.14285715	1.0	0.14285715
10	C14 H14 O2 N2	243.11281	243.11313	0.01911173	243.11281	12447	10711	13028	8469	4771	5669	8428	13445	2422	16750	16734	10103	5191	4056	7140	20136	16339	4411	8061	17443	16916	8716	9272	24473	9410	15201	18554	16706	7930	8348	9326	12207	13732	8726	15346	9000	16393	7827	18243	9103	14895	4982	0	0	0	12411	9782	0	13341	9833	11489	10925	3818	0	2025	2140	3552	17188	0	5973	16087	5514	2610	2983	2452	4523	3734	21487	10482	11489	22560	9504	8541	7956	15631	8795	0	6133	12274	14718	9285	5223	4720	9029	3987	3235	13379	6993	4617	48054	11918	4132	34097	13111	14677	0	9196	10872	2957	2025	3015	16420	7539	7558	0	18153	3015	0	12034	2399	Peptide	0.14285715	1.0	0.14285715
18	C12 H18 O5	243.1227	243.12299	0.039367758	243.12271	78607	75792	65571	72978	92052	98627	95406	86699	98867	46078	34707	46008	150988	110752	89771	72848	51036	136704	136480	52576	30620	42706	73713	52748	84078	13149	70243	82144	129915	100472	95497	115316	134974	112804	38775	127847	141619	77399	57868	29504	19321	82449	23494	8801	13469	30931	11434	10391	121120	72205	76883	68364	95645	27616	178336	83513	64617	99941	52718	24689	80548	16874	102029	88240	66587	133480	111657	62286	8242	24559	10734	85392	92334	147305	58689	108283	8898	63447	57916	44798	50182	23751	82984	44560	70702	77930	73566	63563	94146	31774	90130	86761	71243	24514	32059	13306	78733	77061	73877	75970	89077	125152	56605	55154	20062	59551	82298	11380	64246	125081	Lipid	0.41666666	1.5	0.0
14	C12 H18 O5	243.1227	243.12302	-0.01386351	243.1227	289706	308018	302465	318131	440783	449001	452035	359721	448899	142352	112897	174602	581889	591519	346664	366320	218704	713185	610785	211205	171806	121293	235689	139939	408139	56681	339767	223127	647728	429984	397556	642572	660214	580778	174639	558167	559078	273572	233809	78899	57153	398245	45962	13019	12297	114022	89131	13804	462586	262546	288031	268059	455001	33918	563427	295760	245795	522879	154906	78109	401742	53580	479384	359922	377026	593868	568487	200915	25975	82208	41601	386730	498890	563102	253867	469808	8561	277509	127842	172051	116387	104393	325213	216332	314449	320386	246862	305999	455274	133312	281035	234566	192950	76285	102110	22384	286924	324249	284330	365726	415643	561287	251684	237122	67239	257186	312530	13849	204160	472740	Lipid	0.41666666	1.5	0.0
4	C12 H18 O5	243.1227	243.12311	0.008084258	243.1227	44192	47282	40808	44806	41026	31350	35834	50702	45072	11505	13531	39114	43938	19118	32778	43088	58188	27630	45824	15707	23606	48742	31420	42488	26280	5742	14991	12099	26528	51736	49968	46536	57348	31874	36718	51942	51450	33028	65356	14209	19504	47646	5393	5103	6292	18868	19948	5955	29274	38728	39626	35962	41110	4624	22815	46882	34028	55354	31904	32782	48584	7572	46984	40960	13202	43052	31764	59704	9852	9677	7832	35584	39732	55598	14250	53046	3437	34584	30732	6574	31018	31420	45884	12105	48104	36668	32880	27750	38740	44926	38176	42054	50696	21892	29296	8850	38988	41634	36926	56718	68896	56658	40936	19578	14765	40100	45242	5636	28152	52520	Lipid	0.41666666	1.5	0.0
12	C11 H18 O4 N2	243.13393	243.13425	0.01252119	243.13394	10257	11719	10962	13590	9633	5690	5933	6617	3311	2762	7911	5653	6785	4630	4422	14424	8372	10804	11257	2792	0	9070	4564	10483	5967	1381	5865	26220	10812	8526	5205	10868	13390	10259	3205	6198	13484	6315	15057	3844	3880	8011	889	706	456	3086	3429	582	10672	6737	14326	12543	5296	854	6064	1879	5627	9319	0	0	0	0	3400	4306	3786	9971	9306	17483	0	2293	2188	8691	7856	8154	8551	7319	387	5650	5759	45046	4323	4952	3202	1289	3282	4459	7963	7768	6792	25038	228877	148563	18395	8971	6285	1440	13500	12104	4859	2417	2968	10081	7850	7225	0	9240	10043	652	8233	6699	Peptide	0.36363637	1.6363636	0.18181819
24	C11 H18 O4 N2	243.13393	243.13385	0.22869593	243.13399	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1615	0	0	0	0	0	1165	0	0	0	0	0	0	0	1089	0	0	1140	0	0	0	0	0	0	0	0	2053	0	0	855	0	0	0	0	0	0	1027	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1446	0	0	0	0	0	0	0	0	714	0	0	0	0	0	0	0	0	37122	18022	0	0	0	2266	0	0	0	0	0	0	2689	0	0	0	0	0	0	0	Peptide	0.36363637	1.6363636	0.18181819
4	C11 H18 O4 N2	243.13393	243.13435	0.007793222	243.13394	93528	99867	97572	95498	62842	48918	62508	77946	74150	40064	69845	58324	77782	30283	55908	105202	160963	101303	97103	40676	32255	108711	54319	98421	52460	4885	68572	133320	65544	55522	67364	79358	107746	66527	53754	70161	95871	66694	195356	28896	42070	75132	2412	471	623	46934	50888	619	91780	67350	96861	82302	71370	854	85924	47518	49953	100701	52503	67515	92492	19007	89459	71428	35990	84611	56041	157016	8049	11396	12326	69051	63745	59881	62057	63391	384	47983	64753	290401	60998	38350	43825	12909	55802	61687	75111	88252	77055	154345	921999	515939	162301	85219	58384	2523	91660	100722	54730	47356	50728	100738	66914	66939	32786	99488	69579	562	61835	119442	Peptide	0.36363637	1.6363636	0.18181819
26	C11 H18 O4 N2	243.13393	243.13368	0.19347253	243.13399	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1793	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1903	24659	9092	0	0	0	0	0	0	0	0	0	0	2822	0	0	0	0	0	0	0	Peptide	0.36363637	1.6363636	0.18181819
28	C11 H18 O4 N2	243.13393	243.13394	0.08320407	243.13396	2645	1941	910	2748	1029	1619	1771	0	0	0	1196	922	0	1173	0	0	0	0	0	0	0	2004	0	2107	2266	0	1901	3251	0	0	1944	1742	1728	2347	1117	0	1257	1553	2302	0	0	0	2368	1336	0	0	0	2553	1164	0	3145	2941	1193	0	0	0	1841	4085	0	1321	0	0	0	1013	1562	0	0	3909	0	0	0	1247	2242	0	0	2905	0	1923	1049	2250	1391	2471	1661	0	0	0	1161	1561	2868	3927	25547	13195	2633	0	0	3114	1893	2260	0	1095	0	0	6550	0	0	1777	0	1711	1823	881	Peptide	0.36363637	1.6363636	0.18181819
2	C11 H18 O4 N2	243.13393	243.13435	-0.007584858	243.13393	204834	211794	186015	202769	238722	167066	86996	204680	180520	60482	190462	126781	236301	100173	89412	87549	196603	265418	238697	54498	58627	142496	95082	136501	59253	3293	58637	495402	255177	247974	232262	238137	266736	201810	86002	253891	227500	82715	205652	40019	33574	161536	1234	496	505	51425	36637	526	251161	177160	211630	206208	200336	982	199885	83324	81781	214067	45990	59087	115629	16634	292697	178000	92326	246515	189613	222809	8642	18533	16302	248132	344233	392038	50053	277208	414	97161	78920	877366	55845	25733	35214	9929	129752	94200	93038	178571	206418	229395	1345934	754254	241057	263606	32607	2194	200838	202745	113660	103269	104126	181838	121831	92095	25460	184208	134381	663	70686	350895	Peptide	0.36363637	1.6363636	0.18181819
6	C11 H18 O4 N2	243.13393	243.13431	-0.023761192	243.13393	454745	813407	260652	349410	55575	47685	70491	71497	59165	390909	573528	40573	72362	32284	55069	104101	130027	99072	83536	32835	33960	487225	51571	88025	45540	4347	62984	901892	72512	59157	61496	77379	125887	79262	82195	66949	126361	53271	166659	19923	32030	47302	1399	544	493	38215	45114	360	76191	54335	473464	599561	58575	844	82377	32175	32999	102824	38289	49445	90466	16283	67751	53150	27801	67570	51320	155142	8055	13852	15197	66208	66226	61450	48628	52931	402	40405	56703	1756104	42779	57518	41484	12922	45329	46615	75852	62654	61985	164301	29492511	5245776	153160	852867	588642	1139	413826	320420	32827	33808	43799	118524	54625	48324	17859	91200	54612	507	54253	103124	Peptide	0.36363637	1.6363636	0.18181819
16	C11 H18 O4 N2	243.13393	243.1342	0.06355833	243.13394	0	3373	3688	5182	0	2163	2916	5418	0	0	1866	1392	0	2922	2199	4884	2156	2352	0	0	0	2013	3094	2314	1537	0	0	40715	0	4601	3747	3523	3416	2898	0	2472	4838	1393	3809	0	0	1236	762	736	748	0	0	889	1695	2655	3911	2438	0	1236	0	0	852	0	0	0	0	0	0	1764	0	2558	2029	3212	0	0	0	4658	2169	2862	2501	3374	474	2564	2776	5445	1994	0	0	0	0	1704	2111	1729	0	0	94480	39571	0	2255	2060	1305	3415	1585	1719	0	0	4871	4033	0	0	0	1389	701	1017	1600	Peptide	0.36363637	1.6363636	0.18181819
14	C11 H18 O4 N2	243.13393	243.13425	0.06881663	243.13396	4615	6449	3055	5907	1692	3252	3153	2719	1579	0	7148	2870	1913	2988	4338	4658	4182	2762	1551	0	0	0	2894	4499	4024	0	4975	59237	2512	2481	3979	0	4776	3661	0	2677	3772	2900	7355	0	0	2649	0	747	586	5404	4118	730	4336	2828	4814	6233	2451	616	0	933	983	5662	0	0	0	0	2518	3252	2855	3585	3463	4704	0	0	0	2718	2284	4191	3941	4911	589	2206	4450	0	3215	2021	0	0	2434	0	5780	0	3071	7613	180630	51417	8434	0	2000	1190	4537	4617	2068	1679	1313	4218	5744	0	0	4274	1418	594	5465	1588	Peptide	0.36363637	1.6363636	0.18181819
20	C11 H18 O4 N2	243.13393	243.13411	0.1362477	243.13397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12572	0	1376	0	0	0	0	0	0	0	0	0	0	0	0	662	0	793	0	0	1002	0	0	0	0	0	940	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	785	0	0	2369	0	0	0	0	0	0	0	0	0	0	71899	25507	0	0	0	1671	0	0	0	0	0	0	1932	0	0	0	0	0	0	0	Peptide	0.36363637	1.6363636	0.18181819
22	C11 H18 O4 N2	243.13393	243.13426	0.06221672	243.13394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1143	0	0	0	0	4032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	936	0	0	0	0	0	0	0	0	639	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	757	0	0	0	0	0	0	0	0	0	0	0	0	0	55800	26067	0	0	0	0	0	1745	0	0	0	1632	2283	0	0	0	0	0	0	0	Peptide	0.36363637	1.6363636	0.18181819
10	C11 H18 O4 N2	243.13393	243.13425	0.005509473	243.13394	32036	36459	34127	33662	37119	40762	18490	26761	18702	14137	14038	18314	30896	34362	22525	47129	29565	39396	32947	15340	11874	34340	21933	34030	25741	3391	26989	86584	26585	16506	20517	33897	35289	42002	20190	24384	39260	21305	40021	8946	12005	53508	3148	851	0	15970	10709	816	31157	21534	33783	35712	32074	3919	34079	14044	26177	42382	16517	12982	38548	5571	31491	26385	31840	36102	45100	36882	0	9386	7077	28807	23231	19609	25031	17678	0	17140	21817	354214	15547	13730	13612	6364	17153	17587	27825	24881	31642	53620	443661	190141	55738	29758	22903	1050	34582	35884	92877	7941	16560	40715	21245	53501	0	36972	29627	562	25264	30533	Peptide	0.36363637	1.6363636	0.18181819
18	C11 H18 O4 N2	243.13393	243.13406	0.029040882	243.13394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1704	1507	0	0	0	0	0	0	1590	0	0	0	21213	0	0	0	0	0	0	0	0	0	0	0	0	0	0	810	541	746	0	0	567	0	0	0	0	0	806	0	0	0	0	0	0	0	0	0	0	0	1975	0	0	0	0	0	0	0	0	0	0	462	1263	0	2164	0	1264	0	0	0	0	1500	0	1281	0	86004	34061	2450	0	0	1322	0	0	0	0	0	0	2997	0	0	0	0	962	0	0	Peptide	0.36363637	1.6363636	0.18181819
8	C11 H18 O4 N2	243.13393	243.1343	0.016397398	243.13394	5367686	4519502	5258260	5475536	110712	121670	105242	143560	104792	6680600	11991440	77986	211300	89392	116242	222436	151832	223654	170848	71618	58138	1959886	102222	208482	134066	9620	122272	29267602	149776	107608	119528	149778	262212	155327	412458	127050	287236	90450	197430	39590	56706	142316	6728	1220	1696	110728	65476	2108	162718	114354	4233338	5104108	127416	9270	149208	51928	58548	197170	69294	52836	179206	28678	214730	114292	58768	150420	109278	205882	13436	40034	28864	133026	105978	94616	98656	106924	1060	76716	109684	38791010	62486	297736	61492	21616	59038	77782	172698	124614	113924	208726	194168202	120832455	325194	24972424	19062922	7130	5142870	4627162	220400	51742	55256	207746	99856	107386	26232	185280	82430	2932	117498	189378	Peptide	0.36363637	1.6363636	0.18181819
10	C16 H18 O2	243.13795	243.13828	-0.06418567	243.13794	49519	45009	35885	41020	21780	19812	43704	54369	24379	33042	30601	36790	24166	19554	43271	64380	64675	24216	32494	51360	38466	50754	51373	205131	39441	44195	45282	26127	43383	47872	45123	47408	52429	33781	39006	46104	38498	39480	75227	37701	47009	28138	8946	6757	6685	58031	45416	9305	48772	44338	47581	49827	26816	6105	26596	23167	22661	60374	41867	51634	53344	25472	22574	25240	21208	24254	26420	70173	35687	43175	52706	41750	41978	43564	61481	49337	5911	32476	54747	28099	56944	42426	48578	27148	35658	25632	55048	21998	40275	78774	35855	44912	63400	31046	44590	7696	43711	45721	23480	34860	32588	49685	39522	46129	33545	89951	23951	6422	45898	24160	Phytochemical	0.125	1.125	0.0
18	C16 H18 O2	243.13795	243.13823	-0.011234358	243.13795	334810	374167	308051	301094	256520	183464	322032	372835	181428	288981	258643	250099	233112	181246	275902	429992	484995	281324	351807	454748	387596	331364	263828	369848	242501	456239	325665	257119	343662	349262	331952	384474	428025	321502	328066	348528	387112	270156	532780	307619	371448	228967	15187	6525	6989	226155	256311	9357	391405	308168	345995	330991	233863	7155	238393	195576	199103	460940	193764	297223	372409	211154	228250	196401	169467	249073	241966	559903	357391	400160	544367	267152	268475	329621	446985	401428	5321	216519	340559	258738	302356	206659	272252	245172	253454	222365	370305	275467	286949	531934	384044	346902	484196	214209	298912	10082	315810	323837	226179	251075	267385	425520	232032	349174	132910	309374	181941	6323	315413	195175	Phytochemical	0.125	1.125	0.0
26	C16 H18 O2	243.13795	243.13823	0.058067903	243.13797	66125	62953	61043	54047	62601	45801	37392	80662	56503	46975	49764	60878	54433	55765	66313	85121	69842	52725	73437	68669	72473	74122	49452	80897	67219	51966	47322	62307	76390	81259	75583	84037	93326	63741	63414	93790	93546	58475	75261	62735	59490	80842	11414	11020	0	47115	34619	13275	82690	72815	67555	65651	56399	0	52249	46899	49137	92265	51747	42779	87456	39113	51429	42518	32833	57096	63127	78383	45447	56189	60626	55697	60366	85902	52075	82284	0	61369	69349	94445	54603	41084	49416	53871	56988	46350	98216	51949	56624	105963	74401	63741	111122	97707	66875	13922	62576	65545	54608	60692	60112	109141	62954	68569	38664	69107	49190	12545	70389	45630	Phytochemical	0.125	1.125	0.0
28	C16 H18 O2	243.13795	243.13823	-0.016750226	243.13795	24305	22626	18856	19020	22134	14696	17730	28615	16103	18509	13614	17101	17331	19045	18071	29536	23016	23572	24915	23970	18787	24689	21228	22904	19991	21207	16475	16098	26053	29456	25703	26608	32475	22029	20931	30516	25722	17060	24060	16774	15731	19997	6204	5505	4562	16472	12568	6083	25337	23546	21792	21738	22691	5276	16763	16330	13835	35010	15088	13245	27020	13056	15431	16255	12427	20200	23155	23506	20252	25481	21224	18424	19109	23402	17564	29096	5313	16164	20747	42251	16462	14328	16551	16892	19094	10656	28655	18028	19988	32132	25587	22768	31395	83792	20179	6169	19796	19729	15148	24526	22781	34958	23810	20406	11546	28714	17660	6123	17993	18860	Phytochemical	0.125	1.125	0.0
20	C16 H18 O2	243.13795	243.13821	-0.010564234	243.13795	355059	405990	348536	313510	314515	228678	313206	388700	242515	379270	307174	263745	257718	250971	329463	500945	487550	322348	401343	505422	509132	401142	273494	418197	298358	440361	339218	315124	409913	373939	311392	407972	497529	396876	412607	407545	495400	282610	480981	348585	387692	301129	20289	11217	9195	248454	288198	15817	435206	334856	358156	378956	301127	11251	226712	214150	206644	485114	254647	309828	424027	213780	257446	217335	190094	289446	302887	493160	314718	411551	523648	322733	358277	376007	484418	406890	8131	262622	353293	315814	261801	182791	296673	283454	271521	235428	431107	337554	314628	584969	434639	387585	568776	276925	330863	14313	372930	365036	256955	258501	285478	581984	289966	420728	192020	379483	232226	11905	332770	281025	Phytochemical	0.125	1.125	0.0
22	C16 H18 O2	243.13795	243.13821	-0.008313016	243.13795	346202	356377	258413	312620	330776	286887	245680	380397	226404	378675	349448	250600	194375	248966	296200	450047	428909	358387	292793	474717	483639	411767	260459	374265	317061	311268	254439	369082	382664	360168	326961	369531	427315	383329	407355	395038	464057	264897	392474	320540	350044	285487	28208	12997	10885	266802	272472	25376	364891	322129	342898	325432	298217	12769	252284	203321	205469	465176	232229	263846	428501	211184	235127	209876	178742	298691	331351	416456	226284	331956	326877	309841	291051	313336	299432	368133	23918	241819	303291	326376	241485	225365	281431	247470	242498	226950	378726	314397	321883	521798	492135	439216	518900	324010	429351	18013	279211	327231	264512	230624	218733	526582	258929	393139	201732	385903	236492	24564	305620	253764	Phytochemical	0.125	1.125	0.0
14	C16 H18 O2	243.13795	243.13826	-0.024780124	243.13795	166953	193945	148450	158114	101955	82539	180386	188311	104579	128276	106163	145818	98339	74740	138257	217899	282554	118261	129997	177592	178420	190771	147567	192615	139428	239268	177208	103991	151079	165700	157341	224159	192989	140179	145693	173195	163737	132610	298878	157196	180671	110803	11723	6000	5823	134152	148674	8654	200491	150468	169293	159370	112543	5262	104671	103295	99967	231848	134757	185964	169949	92667	106824	96687	79527	109761	101504	268438	179601	207677	276843	128225	135077	162926	204148	197737	4646	120873	188845	104371	176251	124715	175831	144857	126327	90504	221200	101453	124110	346204	179273	153278	234979	107504	135009	9425	176255	156313	109914	144916	144179	168057	143453	182383	74492	171081	110566	5771	171466	74244	Phytochemical	0.125	1.125	0.0
16	C16 H18 O2	243.13795	243.13824	-0.018960718	243.13795	251376	275964	245384	242598	176815	137106	269419	285337	160716	234017	189172	193471	159069	133270	219245	338645	400215	186593	225238	290129	287800	244747	219096	306583	194368	370053	256555	162042	239261	254375	258510	284641	295855	206815	228972	263732	258197	203543	453587	223071	300329	180263	12535	7303	6867	172068	232409	9253	307737	262103	272674	266300	175721	7783	170392	151629	147193	351016	165410	265837	283448	148320	167879	135690	122850	185616	174772	398169	287045	347980	442177	219202	225326	250949	356858	297788	5891	166786	288686	214049	224658	181178	261962	235519	203207	149271	318997	186720	202708	520771	245300	236535	346791	181301	230020	9996	258444	255775	174766	200431	219559	308425	179453	255561	107929	280158	164591	7061	261746	159114	Phytochemical	0.125	1.125	0.0
12	C16 H18 O2	243.13795	243.13828	-0.04570243	243.13794	94647	121975	101252	102947	50239	38357	94665	103356	55587	59992	67385	62069	35756	37087	71427	142525	144129	54015	76887	105322	83329	113693	84860	123785	72713	97818	119792	68164	92452	96997	91515	112567	105073	84907	79401	92336	82584	88799	165999	72507	104943	56184	6337	6054	5760	82378	105217	8357	110784	108305	108125	112930	56954	5559	66734	53533	54191	138943	75652	108701	107186	50894	58342	48685	43366	50489	49875	142693	85555	94151	120840	74079	82731	102017	137292	123076	4712	67049	105995	46366	100913	79621	96139	59353	63161	46955	105103	50897	63061	179991	102398	97901	121226	58484	96804	8725	105504	95738	59929	64197	68891	100981	76786	94864	51435	87547	53577	5660	90179	46998	Phytochemical	0.125	1.125	0.0
24	C16 H18 O2	243.13795	243.13821	0.013243066	243.13795	189976	217535	175233	195088	234334	150113	124667	221197	139797	202182	185918	141609	167556	244842	191749	266652	249169	209381	252304	273439	241593	273970	162829	229529	180021	148599	123232	219088	207842	204384	178701	225548	263258	228722	235431	237725	273606	147259	235619	179287	159185	222197	24263	9451	14173	142004	120927	11653	224151	197395	182205	184179	226467	12072	149399	127328	129142	278132	139493	116199	258155	110166	146256	125362	97867	206720	219872	247931	119873	146022	149903	200731	177165	193158	150944	207062	10348	151574	185497	253721	138316	129994	136233	129007	148728	120123	211845	179593	189217	250112	247783	232931	341691	312577	330057	12190	186101	207491	163960	132474	128097	423704	139025	237168	123027	218062	134595	8377	170560	141756	Phytochemical	0.125	1.125	0.0
24	C13 H22 O2 S1	243.14133	243.1415	-0.04511816	243.14131	0	0	0	0	862	0	0	0	0	1256	1746	0	0	0	0	0	0	0	0	0	1505	0	0	0	0	0	0	2348	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2270	1316	0	0	0	0	0	0	0	0	0	0	1243	1035	1224	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2288	0	0	0	0	0	0	0	0	45021	21287	0	0	0	0	0	0	0	0	0	0	0	1866	1414	0	0	0	0	0	Organosulfur	0.15384616	1.6923077	0.0
2	C13 H22 O2 S1	243.14133	243.14174	0.16038515	243.14137	0	9186	8235	0	0	0	0	15526	0	0	0	5732	0	0	0	0	21019	0	0	0	0	0	0	0	0	0	0	0	26069	62234	36838	76716	0	50074	0	75015	0	0	21962	0	0	0	0	0	0	0	0	0	23048	19444	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22469	0	0	0	41311	106836	179797	15258	69692	0	6319	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15384616	1.6923077	0.0
0	C10 H18 O3 N4	243.14517	243.14555	-0.21337274	243.14511	4362	3771	4032	4855	4731	0	2897	5051	3787	0	0	3431	11005	0	3487	2170	6041	5909	5236	0	2430	5095	5281	5309	3124	0	0	9931	4762	2822	5216	4536	7894	4927	1663	4600	4511	4770	7646	1368	0	9714	0	0	0	1833	0	0	6169	2881	4318	2944	6443	0	3648	2365	2769	6787	1332	1322	3604	0	3868	3755	4474	6722	6097	8203	0	0	0	3269	6167	4091	0	3601	0	3540	2812	22178	2824	514	0	0	3615	4763	3095	3790	4483	12005	13049	4025	10119	2276	0	0	3050	3329	2864	5235	7271	3462	3283	2169	0	8866	4614	0	4361	6008	Peptide	0.3	1.8	0.4
8	C15 H18 O1 N2	243.14919	243.14948	-0.08402045	243.14917	2280	1640	0	2148	0	0	1026	1892	0	4244	4970	937	0	0	1348	2676	3193	2131	0	3406	3086	1070	1048	4300	3625	1739	1806	10518	2287	1676	2693	1651	3987	2169	3040	1683	2363	1497	2396	1414	0	912	0	0	0	0	1975	0	2700	1205	0	2905	730	0	1156	0	921	4141	0	0	4425	0	0	0	0	0	1382	3834	0	1762	0	2747	1706	1259	814	1917	0	882	1710	5222	2332	0	0	2092	0	0	1081	3826	1022	7233	20558	0	6215	2808	5367	0	0	1365	0	0	0	4102	1492	0	0	4112	0	0	1672	0	Unclassified	0.06666667	1.2	0.13333334
20	C15 H18 O1 N2	243.14919	243.1494	-0.09335434	243.14917	13724	18296	16051	14461	0	2463	23334	43032	0	0	1881	13368	0	2304	8756	39260	23580	0	1804	3474	3025	0	3826	25236	10530	0	28038	5145	119899	73422	32221	115909	90658	78466	0	77028	101588	9636	20275	4004	1646	12651	1447	2171	880	0	0	2171	104715	47147	14971	17353	1854	1229	0	0	1948	28884	2626	3614	40992	0	0	0	5084	2063	7866	33001	0	0	0	52993	89139	55995	58470	35009	859	15645	2296	0	4717	0	4795	0	0	0	2136	14664	18402	5466	6478	0	3256	1812	0	2253	13078	15111	1359	0	0	90544	17676	8284	0	46369	0	1820	7022	0	Unclassified	0.06666667	1.2	0.13333334
8	C13 H22 O4	243.15909	243.1594	-0.027726248	243.15907	3443	4030	2898	5185	2744	2242	5815	4473	1442	0	0	3249	2515	4402	2534	7473	19884	2303	2577	0	0	1330	6511	22197	6447	1694	6830	0	5150	4072	2890	6053	5646	2730	1373	6630	4904	3502	15007	0	0	2741	880	322	444	5883	0	321	4649	3760	4939	2816	1892	407	1650	2162	1875	6399	988	1185	7360	0	2751	0	2257	1804	4006	25507	0	1170	1781	3420	4948	7338	5338	4366	355	2269	3887	0	3371	3708	7489	6696	3866	0	4608	1810	2540	6453	0	6365	4251	0	3366	411	3940	5507	2708	4316	4701	11191	2219	0	0	5979	2601	309	5713	0	Lipid	0.30769232	1.6923077	0.0
10	C13 H22 O4	243.15909	243.15938	0.002887425	243.15909	5767	5989	6201	5016	5595	4057	14574	8491	2654	1193	1642	4012	4465	15329	6025	11005	26032	1671	4274	0	2308	2838	3749	7432	7265	3690	16935	2988	8545	9525	5132	9852	7119	8091	2392	11425	9656	5007	25695	1535	0	6553	1540	0	426	2955	0	0	7676	3470	4693	6126	2540	648	1539	4341	2790	8421	0	0	9613	0	3949	1477	8265	4848	10503	32024	0	1760	0	4234	8428	13370	16262	9519	689	3889	3943	0	2887	2512	20742	16272	3346	6873	9626	3094	3753	11014	3635	0	4803	0	0	618	5325	5112	4638	8781	12807	12214	3797	3486	0	6256	5084	533	5939	2794	Lipid	0.30769232	1.6923077	0.0
12	C13 H22 O4	243.15909	243.15941	0.02159315	243.15909	13418	18941	18950	15502	9158	10147	40492	13377	3328	4346	3720	6089	4108	24616	8829	28625	41315	5229	11102	3314	3568	7280	8416	11847	15779	14603	40941	0	23590	21006	15677	30346	18705	15952	1700	23055	21909	10738	40205	0	0	10627	2097	526	621	3494	4293	766	30274	14079	19407	15665	6756	806	2597	6703	5433	28484	0	0	21917	0	9634	2158	17937	10026	19291	35434	0	1766	2113	11016	20475	28634	34972	20864	654	7902	6683	0	4579	5458	63392	65928	8403	9843	13845	9726	10561	26143	9563	7548	15090	3770	2729	869	18121	14296	9075	8562	9400	24983	7222	5719	0	20178	7807	605	15439	3270	Lipid	0.30769232	1.6923077	0.0
14	C13 H22 O4	243.15909	243.15938	-0.011062822	243.15909	20980	20434	20312	15203	15442	14822	77169	23722	6047	3824	8406	17380	10028	44512	19906	35217	84093	11024	12899	3794	3794	7497	13031	14362	21989	13736	77131	9914	35725	31689	29100	42667	28073	28633	4793	35367	27374	13933	86587	0	0	22855	6088	1079	1169	8671	4400	1122	30687	20572	21985	20116	12507	2706	2026	6506	13494	35455	0	6024	19102	0	10181	3129	30655	16920	33797	91729	0	2519	5227	18186	35006	43980	50513	32819	627	14747	12625	18308	11268	5619	77346	86107	15424	15117	30899	18096	18233	29997	16234	13412	18338	0	3462	1736	24589	21288	8141	12518	21530	37400	15618	9071	0	27230	9510	950	30711	4895	Lipid	0.30769232	1.6923077	0.0
16	C13 H22 O4	243.15909	243.15938	0.019487085	243.15909	14745	17303	14308	16272	12019	13817	73697	19322	1847	4071	5359	10170	9266	73813	18750	25928	51806	10719	7082	4317	3739	5646	7176	10364	12612	16453	69072	13179	26573	20308	26591	25473	18584	22620	2992	26752	18741	9705	49215	3050	17287	15037	10380	2046	1633	7350	4976	2235	31668	19414	19752	17418	9193	4431	2735	9743	11303	23474	2008	18124	23377	2309	21844	3185	44020	19326	38581	57899	3317	3468	3930	16812	27200	34591	32934	24313	1519	10944	10681	28449	7770	10408	81345	79547	11605	11261	22613	8959	12382	34322	20145	16211	0	3010	4349	3290	12040	12991	5542	10605	20730	26889	8312	6904	0	19025	8110	1551	18438	7005	Lipid	0.30769232	1.6923077	0.0
8	C12 H22 O3 N2	243.17032	243.17064	-0.033187293	243.17032	9381	9264	7290	8748	9019	5753	3162	2617	1580	1783	2515	1864	6876	19722	4452	9071	7940	2637	5152	0	1122	7105	5063	4135	6419	566	3428	10247	4263	2282	4427	4712	8391	4413	1528	4393	6983	3071	8820	1335	824	2830	0	0	0	3261	2046	0	5429	1349	6165	8146	4427	466	1603	2931	3646	10631	0	1750	6599	0	3512	1451	40933	8217	4460	10103	0	1279	0	2502	4219	2915	5492	4373	0	1982	9889	12730	2317	1868	534	0	9855	36881	86196	3079	3773	61882	96204	32923	12004	4951	0	0	7937	6923	2254	4328	13336	4687	3074	0	0	5761	18532	0	8318	3285	Peptide	0.25	1.8333334	0.16666667
16	C12 H22 O3 N2	243.17032	243.17032	0.05024135	243.17033	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1510	0	0	0	0	0	0	0	0	0	0	9364	0	0	1140	0	2121	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4335	0	0	0	0	0	0	0	0	0	0	64863	13934	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.8333334	0.16666667
12	C12 H22 O3 N2	243.17032	243.17061	0.026074717	243.17032	6138	7513	5437	9111	2490	5824	19984	0	0	4335	6089	1971	1222	1331	2423	2751	2276	0	1982	0	0	0	0	0	3346	0	19790	22937	8144	3694	6365	14472	42948	6092	1475	5152	28852	1904	2273	0	0	31640	0	0	0	0	0	0	10176	1351	9678	6855	38729	0	0	0	10176	3882	0	0	0	0	0	0	1355	9798	14994	0	0	0	1449	2002	8957	3854	4309	10115	0	2414	1584	25613	897	950	0	0	1185	3281	3903	30241	15604	5595	169059	52798	3139	4321	0	0	5588	7718	0	0	1197	26688	5178	0	0	1556	1333	0	2610	1323	Peptide	0.25	1.8333334	0.16666667
14	C12 H22 O3 N2	243.17032	243.17046	-0.09539854	243.1703	0	0	0	0	1164	0	0	0	0	0	0	0	0	0	0	0	2257	0	0	0	0	0	0	0	0	0	1006	7863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2475	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1310	0	2658	0	0	0	0	1561	0	0	0	0	0	0	23156	0	0	0	0	0	0	1214	0	0	3863	158976	27877	0	0	0	0	0	0	0	0	0	2032	1167	0	0	0	0	0	1058	0	Peptide	0.25	1.8333334	0.16666667
10	C12 H22 O3 N2	243.17032	243.17062	-0.021512726	243.17032	4778	3287	3438	4743	3525	17883	8011	3994	0	1733	0	3573	2647	2364	5090	5451	4480	2802	2344	2301	0	2778	0	4345	3805	0	4604	49201	17751	2940	8362	5563	6039	14480	0	15645	10342	3862	4710	0	0	50736	0	0	0	0	0	0	5096	4100	5673	5105	7786	844	0	1223	3736	4822	0	1841	0	0	4014	1060	2665	2632	38437	5431	0	0	0	5077	8104	8252	3022	2568	0	7365	3337	39253	817	729	0	0	2287	10128	9732	6080	4029	12674	197786	50186	6942	7187	2814	0	5983	5142	0	3334	3628	3206	2803	0	0	4782	2372	0	4427	4094	Peptide	0.25	1.8333334	0.16666667
2	C12 H22 O3 N2	243.17032	243.17073	-0.065666385	243.1703	70947	69327	58403	67498	93133	50683	47789	141119	49043	20895	12779	42876	39601	25337	46543	219025	101264	47421	67381	23458	22262	65713	46457	129215	69792	1898	37458	40963	129674	76831	101258	112319	105935	101817	31557	102803	82108	38626	109136	17985	13023	52631	612	0	0	30446	12703	0	127069	90676	65557	65614	70148	224	28317	7114	23269	193874	10176	9083	148453	6413	32051	21860	28470	49856	73822	120304	6134	14739	6550	80337	83550	80193	84411	90944	0	49116	42080	80726	29366	10053	12628	6413	13964	28880	53808	41376	59099	136161	94328	77018	156638	19811	24990	461	69599	72550	18269	8564	11963	84778	39552	41092	7611	120405	18010	0	65756	58635	Peptide	0.25	1.8333334	0.16666667
6	C12 H22 O3 N2	243.17032	243.17068	-0.026606234	243.17032	37861	40123	38713	35609	12468	6648	5845	8644	4960	12663	21762	3782	17184	10336	6706	14379	4900	7850	9875	5395	1933	31485	7073	24304	10350	1537	5327	111275	6967	4132	6960	9713	9455	8469	8834	5104	8164	6638	7988	2137	2735	4186	0	0	0	9224	3672	0	9670	3432	39519	42415	5789	0	6812	3774	3075	22221	0	2276	12245	1619	26551	4208	7889	10976	6317	8387	0	4482	5608	6299	4715	4758	5013	5840	0	3675	17997	84881	5971	2649	1127	2189	5721	15057	39486	4546	6222	90310	1655107	1168088	54572	42814	14479	0	35749	37978	3612	4877	7951	7913	4057	4896	0	21220	6755	0	9888	18895	Peptide	0.25	1.8333334	0.16666667
4	C12 H22 O3 N2	243.17032	243.17073	0.029052814	243.17032	244943	278088	231389	243793	34319	130096	54818	42445	15294	78561	0	20126	77296	40377	18205	135019	55947	87449	40526	10273	10271	61588	129705	110615	24780	1336	34405	219188	47704	45347	75970	99052	62265	118182	44883	48299	83923	35718	58557	6954	5327	30385	1021	0	0	33401	9249	0	95539	30053	242205	220923	23206	1918	17547	8068	16435	199239	3153	4048	113499	3132	51804	15336	11373	50017	39083	80026	0	15983	4808	56863	59883	32889	52319	63648	0	22986	40074	440197	78626	4906	5429	3192	12232	19553	34448	27540	43927	47806	8491254	4657817	95814	112577	88073	949	239347	238651	29429	9520	11388	39919	23868	22571	5260	70793	10561	0	57178	66815	Peptide	0.25	1.8333334	0.16666667
18	C12 H22 O3 N2	243.17032	243.17018	0.027081013	243.17032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3007	0	0	0	0	0	0	0	0	0	1925	42215	8803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.8333334	0.16666667
20	C17 H22 O1	243.17435	243.1746	0.02043234	243.17435	70497	87212	70043	68608	55598	42730	91879	73680	49677	62847	55753	58459	38996	64575	72493	104061	146660	47583	66582	65551	76608	68349	53951	71422	55839	124010	106417	63199	80702	77877	56930	80110	81069	70123	60728	75957	72497	59838	138027	57292	93507	62805	4058	1231	1459	43866	73865	1954	76236	72770	74433	80520	49120	1481	45672	54625	51505	107600	42323	85720	84823	40482	40791	37771	40485	50546	61894	151980	72655	94554	125689	55895	61550	79843	142436	89140	911	45367	85773	73017	60644	34206	83141	83846	69189	61203	122443	66593	61106	181692	85656	70960	100583	53529	54096	2017	69446	78152	60099	82987	91448	97232	56538	75234	38222	72177	55810	1685	79571	44506	Phytochemical	0.05882353	1.2941177	0.0
14	C17 H22 O1	243.17435	243.17464	0.012139011	243.17435	5295	6542	4932	7490	4393	3306	9069	6133	3004	2676	3772	5628	3407	6092	5198	8320	16935	0	0	2281	3129	7006	4697	4125	6804	5836	10366	0	6018	6331	6059	0	9287	3989	5008	8071	7911	4664	19181	4336	4799	3865	0	1020	904	5246	3717	1394	6887	5126	6902	7011	2769	632	3101	5290	4160	14345	0	7651	0	1689	2928	2835	3002	4440	2518	20976	0	6170	5123	4653	5649	11015	9166	9707	578	3246	9860	0	9161	6055	10617	5022	7241	6566	11108	3172	4834	23260	7637	5725	11142	3340	5037	887	4962	4378	5013	8619	11100	8129	6611	6192	0	5069	6424	961	11644	1435	Phytochemical	0.05882353	1.2941177	0.0
16	C17 H22 O1	243.17435	243.17464	0.01745429	243.17435	23060	18860	15007	13729	13700	6819	32796	18476	9253	9073	10469	13545	7351	11314	16191	23647	39774	6615	13202	11316	11804	17171	15126	17280	15224	23012	19155	9628	13324	17250	17713	20407	17845	12259	7529	21637	19821	17076	47445	8625	17123	11292	1193	824	864	7910	15747	1252	20200	21666	18445	17371	11498	743	10626	11979	10545	23650	8507	22449	16024	8431	9144	5576	8884	12499	8992	44325	16753	15071	26216	10721	12151	24401	36689	21094	582	10494	24320	12681	16912	11739	21407	12989	13823	16682	32781	11387	11757	57464	15101	17088	0	11739	13703	1169	14796	18289	13433	20873	24819	17682	11008	16223	0	16472	11422	776	20864	5325	Phytochemical	0.05882353	1.2941177	0.0
22	C17 H22 O1	243.17435	243.1746	0.001440084	243.17435	107910	122215	91983	117484	102407	62644	129805	124712	70122	107548	108748	84633	58245	86639	94954	155764	210029	82607	91322	118071	121487	105503	85131	99690	96155	163546	139158	101933	113044	123751	91094	130582	127531	110241	102196	138532	125242	85860	189516	94770	133386	104897	3950	0	1539	72877	101051	0	113810	126921	113430	116076	84152	2735	76927	85995	71702	149398	62824	113782	131546	62434	66212	61529	63341	82923	95621	202876	127015	144518	203283	87474	83255	112614	159225	124415	1627	70080	124072	103740	83687	65408	121534	113839	94832	83966	150963	80832	87580	256586	148067	117049	142199	86568	135918	3225	103415	105075	92813	124167	114947	137417	81088	118368	63986	105883	85358	0	120792	71715	Phytochemical	0.05882353	1.2941177	0.0
18	C17 H22 O1	243.17435	243.17462	0.001156695	243.17435	42938	47839	38824	38640	33206	20025	55367	46123	21018	23011	31562	36554	15544	26213	32826	59567	87424	25962	37224	31620	35864	40364	32483	44532	35877	52187	53207	25039	45341	40890	31892	39049	43016	34368	28296	40217	37420	28712	90274	26589	47110	28251	2011	903	1026	20445	29411	1382	35799	43565	43480	38105	29047	844	28188	28317	26220	62304	17913	53203	43005	16518	23324	24258	24317	26297	32859	100761	44320	41797	62395	28363	24628	44119	82085	45742	739	23688	49840	32480	38102	26151	46494	37051	35842	31888	61121	30402	34396	108890	54259	36885	61141	20971	35145	1375	45729	40033	32282	45000	47432	47021	29113	37845	15410	33589	29571	1103	38324	17007	Phytochemical	0.05882353	1.2941177	0.0
26	C17 H22 O1	243.17435	243.17464	0.06684728	243.17436	56083	55874	48067	46022	49657	31583	51745	56403	45826	40551	57257	36583	42752	61893	55519	79682	66157	42804	70132	55871	57255	51016	38713	49093	62003	75074	59463	63334	57577	61442	53970	63247	70142	52964	48640	79906	63745	49986	72904	51280	49978	71475	5137	0	0	43119	30569	0	63302	61675	54647	53490	46229	0	47729	49525	38868	84489	38549	30155	78850	31492	36663	36596	30279	46926	58113	75017	65459	57234	64844	41688	45503	68722	43919	63005	0	39721	65860	65429	44440	40952	48420	46533	49721	49529	110101	37896	48051	95585	75324	61496	68760	48676	43811	0	53303	60971	50158	57538	59907	79146	39165	54391	33206	51034	44849	0	61695	29540	Phytochemical	0.05882353	1.2941177	0.0
24	C17 H22 O1	243.17435	243.17458	0.005025878	243.17435	112714	131669	111806	116609	157821	78598	123360	115465	90326	106991	133406	83069	92477	314369	91491	168821	177173	95694	140763	145892	148653	103732	79795	108450	107583	176890	117743	130007	106806	117370	85556	128818	130782	113782	125352	135595	122506	86624	186923	99979	133207	148622	7196	0	0	80348	91376	3158	129174	114743	114163	118654	131003	0	92971	122037	87901	166889	71784	95476	135214	75252	63781	68546	82301	105614	143945	171968	130402	141414	189446	88007	93139	109410	143532	119238	0	70374	126866	128888	84570	82631	107480	107048	107243	77479	175120	86674	108414	204128	156204	129962	149543	107572	134371	3448	121576	124673	102404	120435	132581	152967	72821	137767	67750	107163	97537	2603	119231	75343	Phytochemical	0.05882353	1.2941177	0.0
20	C14 H26 O3	243.19547	243.19577	0.043570567	243.19548	4526	3685	2124	3822	0	2819	57242	1949	0	0	4127	1380	0	17550	2561	0	4043	0	0	0	0	0	0	0	0	13399	55435	6785	0	2908	1698	0	0	0	0	1531	0	4153	3352	0	0	7939	11169	10020	9613	0	17488	9406	0	2525	2711	2414	1074	10386	0	4727	5177	0	1426	2816	1361	1687	1537	0	14501	0	3181	7661	2710	2537	2722	0	1472	1787	2619	0	11000	0	6829	21112	0	0	53210	92301	3608	12559	3534	1327	0	5826	9379	2717	0	1691	0	7880	3686	2497	5756	2634	4929	0	979	3210	4998	0	4223	11990	2758	0	Lipid	0.21428572	1.8571428	0.0
14	C13 H26 O2 N2	243.20671	243.20702	0.048542418	243.20671	3371	4942	2673	4592	0	118821	0	0	0	0	0	0	0	0	0	0	0	34975	17285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1626	0	0	0	0	0	0	0	0	3282	5285	116897	0	0	0	0	0	0	0	0	0	0	0	2088	19113	148456	1221	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8582	6105	71209	1867	12320	0	0	0	0	0	0	3829	3094	1113	0	0	0	0	0	0	0	0	0	0	1893	Peptide	0.15384616	2.0	0.15384616
24	C18 H26	243.21072	243.21098	0.028143866	243.21074	15595	20748	16841	22548	11323	12877	64746	22936	7303	7124	10751	10050	8843	32693	12817	29296	38280	0	7751	7031	9009	9332	6797	12598	18147	16621	65130	19521	13856	15371	8739	20253	16336	9801	4946	16799	12365	11518	37107	4501	11510	12599	0	0	0	8987	14739	0	23783	45446	18440	18918	10864	0	7775	10640	12852	22913	6309	25568	23195	4346	12267	7459	24029	13164	19842	33143	7802	8720	12329	22485	8736	19787	21163	21664	0	9274	26658	54713	12649	14022	23311	18845	11975	11911	86847	13987	15038	158549	42058	29584	34022	11124	16488	0	19709	19079	19675	13376	13131	13117	8464	9345	8862	15971	10869	0	24225	14070	Lipid	0.0	1.4444444	0.0
26	C18 H26	243.21072	243.21101	0.04697651	243.21074	22074	24249	23333	19793	13257	11869	51612	17658	11332	9356	18733	9905	9203	24809	14793	33753	29053	9222	16556	11105	10782	13799	17517	17247	20963	27704	50918	33631	20351	23767	12742	18535	20572	9987	6923	20782	14280	13942	32454	11095	18378	18585	4227	0	0	12393	18910	0	20856	27306	24790	23838	13455	0	16567	15474	15799	35647	8720	22676	27732	8681	15661	10972	24930	16526	29868	40454	23687	13062	18412	8470	11207	22223	22133	20846	0	10293	32967	57841	13010	28800	19638	21233	20575	15860	170140	12996	15436	169900	67912	47586	38517	20706	19649	0	21658	25059	22356	21750	27513	21518	10887	16977	15025	15927	18064	0	31805	13728	Lipid	0.0	1.4444444	0.0
22	C18 H26	243.21072	243.211	0.01647451	243.21072	3327	5147	3371	5020	2111	5094	17843	4534	1688	3077	2576	2103	0	5073	2309	6600	12756	0	2425	0	1717	2062	2504	2403	4166	0	20635	0	5198	5698	3306	6245	7249	1907	0	7344	2375	4031	14775	1862	2679	3895	0	0	0	2836	6745	0	9748	14547	4357	4519	2385	2863	0	2393	3277	7424	0	11940	6286	1054	1778	0	4914	4198	2659	19075	1480	0	2211	2943	1400	4759	10490	14105	316	1698	8303	13721	3589	2701	7022	6385	1485	2908	12446	5860	3415	32594	12296	5637	9209	2787	6503	0	5154	3300	5177	2256	3120	2801	1712	3274	1287	4976	2742	0	6467	6310	Lipid	0.0	1.4444444	0.0
8	C12 H26 O1 N4	243.21794	243.21823	-0.039893594	243.21793	3201	5355	3384	3657	0	0	166547	6766	0	0	0	0	0	0	0	14584	0	0	0	0	0	0	0	0	0	0	198113	0	50377	60096	7512	2266	0	0	0	12277	0	0	0	0	0	0	0	0	0	0	0	0	148938	11743	5164	2294	0	0	0	0	0	1078	0	0	3813	0	0	0	0	0	0	0	0	0	0	12400	24821	13584	28700	36267	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3424	2210	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.083333336	2.1666667	0.33333334
2	C12 H26 O1 N4	243.21794	243.2183	-0.014305909	243.21794	3466	2887	3144	2833	0	0	712	3960	0	0	0	504	0	0	922	26003	0	0	0	0	0	13983	1344	11895	7947	0	0	0	697	561	900	0	539	694	0	0	0	700	625	0	0	0	0	0	0	1427	260	0	1211	1048	2612	3350	0	0	0	0	0	30395	0	0	20005	0	0	0	0	0	0	1013	0	545	0	825	624	0	574	868	0	799	6355	2617	1273	0	0	0	0	0	11752	0	0	52417	8260	1756	69045	1028	1954	0	3337	2896	0	0	0	0	476	295	187	11667	0	0	7231	0	Unclassified	0.083333336	2.1666667	0.33333334
0	C11 H26 N6	243.22917	243.2297	-0.18402839	243.22913	0	0	0	0	0	0	0	6998	0	0	0	0	0	0	0	3726	0	0	0	0	0	0	0	1770	0	0	0	0	2069	4800	11751	0	0	0	0	22650	0	0	0	0	0	0	0	0	0	0	0	0	0	5008	0	0	0	0	0	0	0	4107	0	0	6689	0	0	0	0	0	0	0	0	0	0	6407	5564	4442	0	4507	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.0	2.3636363	0.54545456
12	C13 H9 O4 N1	244.06044	244.06078	0.081434995	244.06046	7286	10175	8544	5813	9844	7769	9455	5550	10887	8039	4503	5203	11545	7099	5434	13383	10746	18779	14465	4939	6497	17004	7399	10821	5705	1731	6792	0	5899	7606	6435	8772	16855	9602	9145	7814	11943	4788	18436	4169	8221	8070	832	733	1012	3834	5210	873	6998	6479	8992	8543	12150	701	13211	5863	6290	13928	0	9341	18026	2223	15972	8375	6048	16273	8677	18309	0	4042	5164	5953	5455	4282	8761	6912	563	5642	11775	0	7545	5337	6133	2944	8214	7866	11572	13200	10257	29208	7732	5727	18839	7868	6966	1060	7334	9652	10074	8874	9597	14226	6249	4222	0	16359	6714	832	6724	14532	Phytochemical	0.30769232	0.6923077	0.07692308
16	C13 H9 O4 N1	244.06044	244.06073	0.05783877	244.06046	5097	7715	8240	6924	11498	5185	6639	3843	6375	2611	7133	6270	5405	7181	4951	14082	14251	7453	12143	4211	3308	6538	5540	11136	5634	1529	5958	4447	4775	5936	4759	7060	10468	4423	3832	3502	11920	5545	13992	3426	7205	7341	1242	681	1160	3629	2776	1847	12670	3034	7010	6479	5980	703	7430	5373	4546	15757	2245	7444	13257	2017	13919	5641	3642	11825	7533	12798	0	0	4680	9889	3425	2775	5327	4425	812	3178	14032	7528	7086	4955	4492	1784	6655	4897	14012	10424	9590	39635	7183	5904	0	5701	6321	1453	7018	6990	3757	6494	7863	9780	3662	2870	0	0	5816	1295	7155	9311	Phytochemical	0.30769232	0.6923077	0.07692308
6	C13 H9 O4 N1	244.06044	244.06082	0.045150373	244.06044	7150	9205	7727	7675	11749	5363	4446	8623	11727	2738	2372	11317	10858	5399	8682	13412	13896	14103	16741	3021	2752	7275	10804	8425	2827	740	4251	2418	6200	6424	8397	5942	13629	6365	4817	6835	11565	8699	16784	0	2146	9186	846	517	794	3313	1542	555	7795	8516	6899	8115	11321	543	8548	6577	6760	9209	1549	1881	12019	0	11043	11017	5079	17175	9095	17483	1643	1415	0	9702	7228	5258	7234	6407	581	6823	8123	0	7031	2177	889	0	7373	6359	7521	13437	11635	21959	0	2260	15923	1766	1588	944	7300	6855	7370	12210	11057	12118	10157	1359	0	16343	6496	523	3857	16534	Phytochemical	0.30769232	0.6923077	0.07692308
18	C13 H9 O4 N1	244.06044	244.06071	0.08222877	244.06046	6765	5488	4658	5851	5707	3792	9091	6585	3843	0	5125	5502	3152	4575	2673	19410	12681	8871	7587	3193	2773	7794	6355	16760	3508	0	6505	1912	6578	6542	9477	9000	18147	11412	5377	6363	16785	5112	18446	1392	2496	7131	1262	1007	1024	5968	3438	1601	13548	5006	6941	6989	6766	810	2001	1471	3653	21760	0	3313	15105	2147	4866	3068	3454	6878	9181	22098	0	0	0	9073	6624	5495	11587	6186	821	4611	6755	6662	6098	2761	1234	1850	2144	4416	8202	11150	12330	18772	0	4477	15289	1974	3949	1489	3823	4527	2390	5021	3030	11778	5742	0	1567	15874	1862	1181	9178	5742	Phytochemical	0.30769232	0.6923077	0.07692308
10	C13 H9 O4 N1	244.06044	244.06078	0.112913854	244.06046	6026	6694	7919	6126	8178	6481	5300	7677	8173	4375	4423	5906	10771	8180	8272	9577	8891	14562	16283	5247	4719	9820	8508	7673	4709	1561	6416	2716	6243	4678	6544	7191	11225	4891	5289	4360	11574	5864	12868	2697	6630	6813	1153	543	830	2319	3422	869	8477	3340	8203	7023	8749	612	10647	5872	4352	14821	2127	4615	0	3042	10300	9596	4559	16328	13585	13212	0	2528	1790	5736	5804	4736	6435	6994	747	5105	8045	0	6127	3342	2930	1533	6711	4700	10687	10996	8316	23621	5215	4188	12134	4811	4940	1297	7777	7646	9299	7889	6274	9126	6119	2651	0	9065	5660	556	7177	11380	Phytochemical	0.30769232	0.6923077	0.07692308
14	C13 H9 O4 N1	244.06044	244.06076	0.063959576	244.06046	8107	7073	6334	5495	8270	7195	6899	5209	8259	7019	5302	4938	9787	7230	8551	7140	8619	11600	11051	5909	6417	15244	5403	11831	8212	2056	6746	0	3728	4435	3491	0	12007	5605	9837	4137	8078	4511	12471	5287	6289	7581	0	903	850	5949	0	1024	8217	3082	7585	5914	7518	725	6768	5471	6366	14269	0	7048	0	2856	8356	6090	4860	16533	11731	10742	0	2070	2712	2726	3736	1618	5225	4624	778	4409	12711	0	7465	4112	2124	2671	6360	3706	14175	11203	8449	20418	4982	6798	14353	9566	8121	1365	5549	7279	6218	9527	7917	7137	6846	2544	0	8957	4095	1030	10646	10408	Phytochemical	0.30769232	0.6923077	0.07692308
10	C10 H13 O4 N1 S1	244.06381	244.06415	0.029939815	244.06381	4934	5875	4452	3477	10077	6550	7118	4766	6190	2572	2588	2179	10724	2250	4214	7739	10728	7756	5601	3979	4915	10648	3572	4324	5105	0	7411	0	5686	3904	2982	3809	8939	4547	3863	3056	12245	5368	7325	5330	11382	2900	0	0	0	5061	9749	0	4652	1653	5166	7699	7082	0	6081	4068	2201	9678	5722	7122	0	6079	4540	3505	2869	6518	3782	11333	0	1498	2042	1724	2328	1675	4976	4314	0	2665	3801	5074	5432	5571	4674	3382	6339	4655	6354	5476	4731	8091	12824	23839	7008	9995	10520	0	5662	6560	6356	8018	7495	11244	4095	8107	0	5835	6869	0	4648	8346	Organosulfur	0.4	1.3	0.1
16	C10 H13 O4 N1 S1	244.06381	244.06406	0.07519618	244.06383	2284	3282	2936	1489	34424	4084	1564	5626	0	0	0	1100	0	4135	2455	3260	2024	3331	0	0	0	0	0	4127	0	0	0	0	2619	2127	0	0	1875	4917	0	2038	2483	1799	3506	0	0	1709	275	0	0	1129	0	0	2613	2139	4203	2292	17963	0	0	0	2209	8920	1193	0	0	0	0	0	1072	0	3446	3879	0	0	0	1869	5886	1717	0	2307	0	2708	2043	0	0	0	0	0	0	2907	2113	7190	3827	0	0	2779	0	0	0	0	1506	0	3450	0	0	0	1753	0	0	0	404041	0	0	2835	Organosulfur	0.4	1.3	0.1
6	C10 H13 O6 N1	244.08156	244.08195	0.045665365	244.08157	47048	44691	41173	49432	87380	53261	22118	36842	98595	18753	21679	29351	113001	34036	28700	45851	57988	129287	112433	24218	28263	32115	38610	34648	13375	1833	19697	11995	40412	30735	36926	44552	70211	46013	26937	35530	73094	26515	67498	9738	17305	67944	1621	1068	1142	17928	18478	1038	46209	29894	47595	42258	79537	1836	99818	55222	38275	56149	17871	23542	46678	9624	123215	80305	38066	95988	67110	65769	5904	6711	7206	31065	37940	32239	32837	31933	1105	22677	18584	10433	14523	9290	11156	4053	63319	46290	31038	78520	87043	52641	20132	25430	52904	15083	11873	1372	46192	45932	48427	59376	67336	66860	29572	25634	7439	50816	73581	1245	17683	194090	Phytochemical	0.6	1.3	0.1
2	C10 H13 O6 N1	244.08156	244.08202	0.08200908	244.08159	12229	14359	10778	11990	33235	27651	6018	12102	23304	5304	3519	9570	44898	15115	6466	3513	8896	37624	29992	5570	10440	13495	9886	10597	3469	1191	1463	0	14298	7571	13772	14008	23699	16239	10101	10619	20141	6486	7905	5869	3808	21025	709	799	1182	6554	4142	818	12965	5437	12001	13971	25544	1151	29052	14128	8807	17168	5138	4942	6171	2534	55778	27943	11208	40255	21108	8518	2090	3257	1999	15082	14989	9157	1300	11486	942	7262	6138	2180	5161	3971	3979	2231	13962	9529	7562	25595	28718	11685	9132	7293	18730	4540	1211	1698	13610	13320	13298	16232	15543	14550	10031	7732	3223	15595	13913	702	6021	68011	Phytochemical	0.6	1.3	0.1
0	C10 H13 O6 N1	244.08156	244.08203	5.03795E-4	244.08156	2245	3144	1697	3949	8287	0	0	4352	3851	2126	0	0	10109	4809	1864	0	1522	11991	8153	2498	3048	4863	2006	4462	1772	660	0	583	6468	2304	4188	5864	7009	6894	3514	7229	4972	1208	1521	1920	0	4559	0	859	1310	2601	0	737	4112	2349	3832	3210	7376	845	4511	1978	0	8021	891	626	3059	739	14435	6007	1169	8582	7408	960	724	1748	0	5748	0	2941	0	2899	800	1971	1450	658	1467	1308	0	0	1598	1878	1616	3314	7844	0	2289	2378	3768	1061	0	1205	4564	2468	1896	1485	1937	4324	0	2526	934	6695	1703	672	1176	21214	Phytochemical	0.6	1.3	0.1
10	C10 H13 O6 N1	244.08156	244.08191	0.0714117	244.08157	28330	25732	23364	18768	36787	26912	17417	22560	35993	7093	8521	19223	45001	19682	27107	27638	39809	51375	47300	5351	9792	15956	32930	27987	20740	0	15961	9782	26168	18726	19997	25012	34845	21922	6119	24337	34064	23182	45821	3888	4249	33991	2387	1479	2227	9807	8548	2051	22701	15886	20346	24409	34077	2447	45805	21119	18192	30104	9598	9753	27876	2989	32012	36961	20887	35200	24316	37356	0	2878	3842	20972	18662	21898	30364	25085	1209	18039	19642	11857	18482	6895	6247	1664	28341	19717	31652	29870	36154	34353	10108	17132	35631	6454	5670	2053	22193	24829	26245	22467	19568	37407	19506	9825	0	31232	28321	1726	22179	62322	Phytochemical	0.6	1.3	0.1
4	C10 H13 O6 N1	244.08156	244.08199	0.02708413	244.08157	23340	23209	22446	21532	45719	25835	8158	17579	43549	9693	9092	13437	52943	18283	9330	22495	29281	62006	49720	11122	14214	18187	16165	17224	8229	1687	8124	4003	17547	12211	16853	20072	31460	16074	13926	18400	27830	11321	31839	7317	9983	31729	2153	1211	1680	8985	9680	1192	20999	12716	21454	18139	37920	1769	41428	34509	20875	25496	8300	11074	23534	4120	67129	46169	21441	47554	26594	27284	4640	4120	3418	15062	16012	14371	9511	15782	916	10736	11392	0	10202	5498	6599	3535	36971	20903	15915	39691	39351	22276	9235	10936	21288	6696	6145	2595	17978	22242	30934	40068	40698	28087	12354	13050	6075	21222	37056	1315	7750	94179	Phytochemical	0.6	1.3	0.1
12	C10 H13 O6 N1	244.08156	244.08188	0.08685504	244.08159	7176	10764	10380	9522	9887	10278	7281	10608	12923	0	0	8453	13985	8121	10612	14754	19093	19820	18537	3640	2559	6292	10438	9743	7189	0	5700	0	9236	8146	11993	8304	18370	10431	2827	8336	15381	10118	18033	1706	0	15450	1459	1694	2551	4297	0	1843	12173	8529	7889	9143	13310	1373	13419	8150	7765	13571	4791	0	0	0	14425	13336	6463	14861	14740	12925	0	0	0	8429	9115	10200	11095	9804	1285	9112	7250	0	4372	2083	3412	892	11328	8273	9576	16727	15244	12629	4445	7946	17816	0	2060	1900	9440	8225	9132	4956	8129	15384	11259	3219	0	14370	10716	1790	10007	24070	Phytochemical	0.6	1.3	0.1
8	C10 H13 O6 N1	244.08156	244.08192	0.06297171	244.08157	41854	42265	33640	39766	69922	57663	18820	32730	81334	8992	17816	29599	84363	32228	31844	41819	44962	91719	91529	17322	20392	24005	39316	38639	20382	585	20070	13647	36683	28358	33804	42020	47847	35514	26631	37364	49215	31743	42467	9619	14516	57558	2257	1230	1933	14926	15560	1310	39392	26955	33183	33813	65473	2054	82082	39827	34970	41787	16828	17609	41467	6628	91474	77016	39283	75277	54687	43277	4462	4431	3921	30908	29317	30505	29520	33201	1490	23975	19216	10031	17368	8525	9672	2713	46487	36982	26835	58803	68107	33888	16573	22858	44631	10348	9040	1717	35397	38211	50821	47433	46296	47913	24935	21091	0	40604	63450	1197	18344	137365	Phytochemical	0.6	1.3	0.1
0	C9 H13 O5 N3	244.0928	244.09323	-0.09681035	244.09277	5125	4944	4272	4727	9365	8142	1790	7758	6975	0	0	3479	13327	5729	1526	0	2422	11865	8373	2557	3545	5643	3606	4828	5170	0	0	1290	9149	3681	8187	6092	15922	7855	2832	5117	5542	2366	4403	1273	1283	10112	0	0	0	1791	0	0	5463	4571	5810	3394	10167	336	5815	3402	2635	10567	1075	773	2647	0	18099	6068	6790	10919	13532	3485	0	0	0	5239	6617	3207	0	4323	0	3180	2720	0	2108	0	0	0	4272	2913	3596	8029	11722	4579	3730	2921	8869	0	0	0	4592	4811	3690	3977	3152	4212	0	2474	0	10197	3920	0	2375	23036	Peptide	0.5555556	1.4444444	0.33333334
20	C14 H13 O3 N1	244.09682	244.09709	0.045442592	244.09683	5571	5512	7443	4510	4842	3186	5336	6708	2572	10257	16861	4737	4266	4823	5367	8331	5446	3773	3480	8502	12456	9241	5093	9470	4422	7023	3889	15315	6730	5822	5917	6596	6059	6069	5104	5423	12142	3786	7756	10623	27803	4731	1539	1256	1394	3523	10497	2006	7301	5588	4382	7515	3571	1085	3106	3591	2737	7748	3441	9914	9024	6953	5281	3957	3156	2765	5833	9918	4792	8171	13306	6368	4163	3576	3764	6816	1098	4426	2342	16629	3286	6760	5380	9887	4645	5318	6402	7951	6718	12267	10632	6778	8802	11897	9473	1848	6377	7197	3163	1884	3608	5809	5064	7099	5752	10132	2473	1727	4868	6670	Phytochemical	0.21428572	0.9285714	0.071428575
14	C14 H13 O3 N1	244.09682	244.09715	0.040283203	244.09683	46712	40213	40900	42779	23834	17167	30702	38062	17676	62697	60290	24484	16249	15857	22940	62797	49377	27729	31560	57805	80484	72063	25184	56642	26912	102687	29090	58609	33165	27359	29703	37212	45331	38400	61221	27566	45030	25231	56055	69512	109669	23375	0	1741	1349	40241	50810	1659	44421	33434	39548	39743	26225	1451	14946	11444	16694	72638	13171	34661	41646	33647	25599	16726	13638	26436	27491	54841	62350	100294	134542	33972	29200	22500	36422	33873	1219	24047	36104	60702	30246	33395	26001	55258	22513	13081	47208	38596	35373	159727	62418	47963	113065	52484	74179	2035	47160	36666	11550	13138	15649	44165	24596	34870	22460	74147	13330	1315	40784	23357	Phytochemical	0.21428572	0.9285714	0.071428575
4	C14 H13 O3 N1	244.09682	244.09724	0.057139643	244.09683	22518	24206	18914	19093	28441	16058	11826	17056	23289	57359	45374	10986	25307	18468	12329	24727	22612	29392	31759	56543	63954	25849	17151	21609	13077	32150	11459	46436	16195	10587	11492	13117	20163	11030	52580	13257	18741	13519	22424	24261	26854	18554	1506	1043	1336	20227	27080	1649	16250	14423	22415	18753	21387	974	26533	12985	11590	19959	3055	11632	21489	12331	26009	18619	7698	23832	16228	23479	25141	39321	49021	11742	11557	9274	15726	12342	994	10380	24141	24228	20572	11685	7827	17434	20220	13003	28368	18041	17772	46284	18310	13039	36864	20767	38399	2623	19724	22218	16701	21455	19233	18847	10957	14443	13453	19287	14056	1384	15759	23801	Phytochemical	0.21428572	0.9285714	0.071428575
16	C14 H13 O3 N1	244.09682	244.09714	0.065736465	244.09683	36196	34571	31403	41648	22733	19021	28073	30659	15944	43436	57724	28028	15224	18160	18166	49842	50880	22105	31015	62535	63043	56808	26835	58795	27364	69015	25866	52205	21155	27472	30517	32091	37069	25837	44996	27714	36807	23461	59205	64366	111941	18563	2493	1379	1836	29231	44443	1827	40133	29806	41073	46477	22432	1623	14671	10686	18100	49678	15295	38188	35419	36933	16926	15088	8933	28684	24800	63789	58491	68137	93950	29440	22085	19448	36281	27148	2086	17503	44057	65019	20646	31753	20822	53364	14689	13763	48620	30531	31020	116699	40918	43673	79325	58306	66538	2025	35536	33296	14629	10875	11800	40183	21787	23339	17258	48696	12094	1485	38760	18802	Phytochemical	0.21428572	0.9285714	0.071428575
18	C14 H13 O3 N1	244.09682	244.0971	0.063071445	244.09683	20622	22187	19757	16495	14411	9027	11026	15306	8407	33019	39655	12074	11290	11042	10867	18491	16580	14464	16022	26226	43074	36606	10283	24729	13226	40803	8633	42678	16606	11363	12498	17309	25373	13940	31243	11324	24173	9794	18237	51284	84056	11444	1956	1350	1428	19956	26528	1991	20918	14872	25149	26006	17179	1411	10652	6990	8161	23633	9871	20001	19206	29518	12143	9319	7109	15415	13083	20604	28219	27491	45827	11769	9309	9446	11925	17027	1148	8222	17545	45950	12737	22003	15345	37013	11992	7358	14083	19333	19905	35887	28068	26033	32916	43741	38183	2237	19595	15261	7519	10551	8458	21163	11675	22067	13947	25476	7355	1598	13833	13807	Phytochemical	0.21428572	0.9285714	0.071428575
8	C14 H13 O3 N1	244.09682	244.09718	0.039179593	244.09683	21202	21413	14519	22361	14539	7423	10842	14830	13141	47171	46451	8957	10982	10396	11324	29377	18054	13747	17870	47127	51365	22178	10541	19348	11584	40467	13301	32798	14185	11400	13008	17556	17572	15243	50724	14058	19476	11405	25074	28380	36488	14083	1407	1054	1057	20572	27488	1183	17167	12756	16355	18555	12407	1373	11923	7952	9388	19655	4786	13953	24052	13462	13944	9867	6836	13035	12445	22396	34586	44623	61689	11543	13263	8807	13333	15772	901	8894	19307	22911	13789	11145	5850	22075	7549	6484	18837	14239	16279	43474	20464	11284	33270	21854	30508	1554	22043	18684	9245	8276	11557	19946	10374	13889	7249	18269	9658	1019	14862	11565	Phytochemical	0.21428572	0.9285714	0.071428575
12	C14 H13 O3 N1	244.09682	244.09715	0.04982288	244.09683	23885	33571	30036	29091	19571	13784	19799	19810	17157	36665	38487	11814	12499	11218	8957	36545	33067	22578	31263	46424	48273	56508	16603	27938	13555	48731	20222	25199	19075	19295	11806	21486	31609	20298	40518	19740	30587	16405	33607	42983	57828	20311	1705	1114	1478	24088	28971	1765	25531	16292	32933	28650	20587	1172	16871	9195	14081	31878	7245	18999	23098	18275	20495	11251	9599	18359	15197	39911	38596	56901	77693	11961	18087	15823	21732	21693	1165	13206	24269	28244	20667	18565	17981	26114	14870	12660	29813	21786	17403	61788	27669	34048	53032	32345	43643	2176	22748	32252	13806	11666	12203	30800	15632	22025	0	25795	9828	1289	21391	18673	Phytochemical	0.21428572	0.9285714	0.071428575
6	C14 H13 O3 N1	244.09682	244.09721	0.04172455	244.09683	17676	21669	19393	22145	17604	11262	12369	17959	13978	71147	60097	9413	16471	12122	11230	22911	17188	23531	24094	68598	84247	22929	10622	24231	16362	41373	13540	41654	12564	11846	15368	15416	19796	14144	64499	11106	19729	11828	19194	23737	34682	12811	1652	864	926	20152	26188	0	18054	11575	20155	21400	15114	1050	11788	9596	10480	22846	3836	13139	24585	13959	16065	12859	8066	15990	14232	21580	34741	46651	60778	11729	10679	7387	9940	13174	878	7677	19443	24280	11958	10980	6769	21138	11882	7902	22213	16078	13376	44236	23950	12078	39250	23696	39408	1220	20075	17548	10005	10673	9697	18588	8450	11864	8446	20335	10488	995	15044	15251	Phytochemical	0.21428572	0.9285714	0.071428575
2	C14 H13 O3 N1	244.09682	244.09726	0.07976918	244.09683	13245	12803	11995	11622	10571	0	10199	14190	9307	9664	9684	9530	9540	8343	11791	21720	14114	14905	17187	11285	10974	11554	14804	17046	10933	6207	8586	8924	11152	11640	10717	11034	13705	11266	10816	12548	14247	10780	15803	6304	6609	12209	1033	1005	1329	7824	7684	1431	13295	12836	10511	12709	12560	1104	12408	6796	7688	17081	2310	4122	18261	2866	9605	9606	5879	11753	11435	15508	6828	8396	11127	10928	10639	8737	14495	12952	950	8929	21417	7590	13231	4046	5509	3799	7794	7081	17952	12802	13342	34416	9600	8576	29045	5462	7802	2275	10995	13739	7349	9052	7715	12983	11497	11016	5010	14311	6240	978	10591	11467	Phytochemical	0.21428572	0.9285714	0.071428575
10	C14 H13 O3 N1	244.09682	244.09715	0.04238504	244.09683	25020	22051	22894	22299	20050	10786	18270	23817	14538	40795	40418	14781	12634	10018	13689	29074	27755	19313	22703	38490	50265	29376	16841	26979	12342	43379	21566	27537	19190	17979	15415	22649	29412	15411	39104	15660	30256	13759	38147	31114	42157	13013	1711	1363	1008	18240	23228	1465	21057	14285	21455	25996	16989	1120	16247	7311	9564	35353	5416	17601	24863	18096	14202	11319	8739	16534	15275	35093	35303	44617	67770	17765	13791	10879	22009	16709	1281	10737	18104	28970	18726	13285	10111	18524	13178	10107	24857	20864	17838	55467	22988	21098	38011	25271	40028	1818	22236	24441	11240	12405	10712	27867	12935	18856	0	30149	10130	1247	19461	21108	Phytochemical	0.21428572	0.9285714	0.071428575
14	C11 H17 O3 N1 S1	244.10019	244.1005	0.051103473	244.1002	0	0	2880	2057	1429	1693	0	0	0	6528	3742	0	0	0	0	2618	1989	1976	0	5665	3368	7809	0	0	1227	0	0	0	0	0	0	0	1613	1399	6574	0	1512	0	0	6623	4702	0	0	0	0	6032	9568	0	0	0	2333	0	1297	0	0	0	0	2236	0	5729	0	4159	0	0	0	0	1043	1246	0	0	0	0	0	0	1471	1110	0	0	0	0	0	6025	4120	4179	0	0	0	0	1053	0	26885	25641	2649	3609	11807	0	3298	2010	1108	0	0	0	0	3407	0	1975	1281	0	0	0	Organosulfur	0.27272728	1.5454545	0.09090909
4	C13 H13 O2 N3	244.10805	244.10849	0.083065964	244.10808	3000	3599	3774	3474	1127	1689	3022	5075	1878	3987	6129	2285	1113	0	2722	6058	6182	1870	2848	4017	6655	3924	3652	5852	3402	2409	2107	8855	4184	3616	3332	4376	4924	2514	4468	4385	4024	2745	7575	2947	4929	1958	0	0	0	4238	6125	0	4281	3895	2651	2868	1822	0	827	681	1425	5193	734	1845	6390	2301	1205	1103	1100	1947	2343	5584	2013	3074	3452	3374	2749	2873	4433	3158	0	2574	4718	24579	3811	1725	1241	2669	1263	2049	3813	2850	2418	11800	3796	1529	11102	5641	5584	0	3046	3855	1061	677	1112	5104	2906	2930	0	4825	692	0	3402	1061	Peptide	0.15384616	1.0	0.23076923
8	C13 H13 O2 N3	244.10805	244.10841	0.11427531	244.10808	5283	4398	4399	3922	0	1018	2659	4245	814	4124	4514	3497	0	0	3299	7011	6868	1573	2753	6270	4713	8821	3119	8535	4432	3269	3102	5893	3816	3362	2521	5723	5474	5634	5692	3357	4086	3203	8442	4524	5668	1387	0	0	0	3766	6181	0	3363	3639	5072	4059	2443	0	0	0	1602	5406	1756	3673	5719	2887	0	0	1802	2031	2309	7861	0	1768	3425	3511	3509	3299	3581	3534	0	2028	4923	9364	4252	1517	2489	4405	1127	0	6109	4224	3530	23886	0	7799	15788	5293	11927	0	5965	2733	1338	0	0	5627	2677	4860	0	7425	0	0	5102	1356	Peptide	0.15384616	1.0	0.23076923
10	C11 H17 O5 N1	244.11795	244.11827	-0.027559232	244.11794	165289	155721	161352	142658	248232	192125	116406	200114	229671	108868	74503	96754	313611	147605	145098	238528	152782	360673	287697	151607	155713	100907	149919	138277	169788	29831	127491	110539	297015	196618	181459	238593	335921	231562	124071	233728	303822	104535	153918	70148	69404	176376	11193	3852	5267	102360	77972	4146	206624	138503	157297	156589	219905	5914	286424	130415	83742	263323	96301	73022	232151	40255	226020	171107	88244	250072	184941	141346	33729	55821	30718	183123	196021	227690	143785	189480	3530	105425	98874	94510	74194	70437	101516	52985	174606	157855	165706	168230	193275	116870	239217	197202	156815	68391	108047	5276	156507	187524	146228	144850	181069	317960	106179	147904	31230	155717	207230	4515	96460	323122	Lipid	0.45454547	1.5454545	0.09090909
0	C11 H17 O5 N1	244.11795	244.11841	-0.0957372	244.11792	47272	66534	50174	49692	95640	78396	11846	92270	71806	54354	11880	26062	130070	55338	22394	14602	23248	171702	140010	63290	121936	102450	34078	42544	29214	7646	4284	18397	179590	38954	90138	92212	232256	108246	86666	82446	134218	19318	27330	79128	17540	77562	0	3262	4994	52696	10986	3044	115702	36240	58158	55202	116750	4596	167668	31364	17406	122074	36520	11682	36276	12036	141502	92818	24350	107718	151448	24356	9818	34024	11124	74970	110220	64790	4112	94070	4700	41122	15516	14906	13918	8890	13768	7556	21996	18596	16620	65804	131044	20734	105315	92110	76516	13642	13506	4138	54134	50736	27974	27854	25518	84548	21828	67838	11488	100702	30268	3264	13156	255692	Lipid	0.45454547	1.5454545	0.09090909
12	C11 H17 O5 N1	244.11795	244.11827	-0.001563681	244.11795	158130	170968	171367	175352	167543	186858	117756	211602	212753	76790	81009	70465	175016	116888	283224	189794	92049	267240	231134	110145	72899	91161	159512	109867	214014	9068	90793	148361	292483	182984	335516	316447	223569	287551	80246	230906	228039	253392	102370	43280	37667	189255	6533	3882	4662	58912	38553	4216	248761	175356	171989	161917	191345	4624	226598	85161	149065	220951	57216	24918	181923	25652	139966	139175	138509	152968	200515	88346	0	25290	12330	232477	199464	214071	83317	184059	2904	135081	64098	53077	63768	44297	59874	28099	89276	195712	139884	145637	194581	74355	244357	218129	172199	45490	80296	5519	192753	170464	128928	67552	83476	267435	151328	86167	28586	124111	134495	4180	99171	214071	Lipid	0.45454547	1.5454545	0.09090909
14	C11 H17 O5 N1	244.11795	244.11827	0.061478678	244.11797	25034	23199	22057	26486	32047	29859	24997	26882	28498	15522	14598	16544	39838	23783	20517	29625	36863	46827	34285	18844	12731	16241	18337	19888	18315	1414	21095	16752	30262	23453	26709	35906	33494	33322	10376	31500	38541	16470	47458	8299	9529	22795	4235	3239	4677	11998	6018	4202	23065	24149	26767	27969	28490	3859	32872	19569	17503	38752	10221	7599	32509	5108	21946	21439	16323	32071	25162	45999	0	1895	1520	24433	29224	24819	28411	25257	3526	18726	18713	17255	17137	8982	13093	5053	27737	20711	32753	28512	34639	33651	36425	32822	25517	7495	10916	4735	25240	26126	20589	25330	28052	37190	17123	21480	0	24405	30262	3984	25668	32513	Lipid	0.45454547	1.5454545	0.09090909
4	C11 H17 O5 N1	244.11795	244.11836	-0.021027736	244.11795	79435	92253	86347	90586	90056	61691	58271	82806	83321	37266	40793	54435	98561	44466	46150	101267	141282	135871	115680	49576	50855	88001	43698	74879	42235	8852	56172	24892	99456	71359	85938	111976	124287	89526	57936	98581	120143	45094	166977	35029	40889	90466	3853	2383	3469	53097	52952	2464	112511	70271	85792	71158	93796	3137	91258	77159	49026	117608	46752	65694	109206	23465	106933	74684	42855	106326	81793	134046	16484	17789	16922	73754	96979	95931	54206	92107	1907	55345	42696	40527	35759	30967	39338	17595	82878	67420	51607	96481	101728	96835	69660	66188	105212	39369	43673	5879	74181	87034	66103	97271	109955	118787	52230	65045	34126	99066	87110	3039	42858	135955	Lipid	0.45454547	1.5454545	0.09090909
6	C11 H17 O5 N1	244.11795	244.11832	-0.04621841	244.11794	139570	154061	139286	147604	163225	134590	123500	168595	186945	84277	63299	103724	224412	88490	114862	223223	222285	333298	278607	128763	130080	132221	106480	129579	86405	19440	102149	77522	212544	178300	159377	191184	241213	170301	115708	195093	242460	100407	247589	54940	81804	172942	6203	2235	2859	103983	119050	2152	187809	144436	152926	146645	177205	3998	241064	140027	97900	212931	108601	121914	190680	44216	193244	139317	77124	202400	151413	221358	34364	41163	36500	114785	147111	196839	118932	140674	2432	90291	79038	85049	66786	70132	103426	39745	163105	151425	122238	155640	175996	171828	95201	160140	175384	75185	99606	3533	144221	154766	108102	153838	195095	265989	103274	159816	55835	155123	179871	2188	81853	273544	Lipid	0.45454547	1.5454545	0.09090909
2	C11 H17 O5 N1	244.11795	244.11838	0.02283306	244.11795	56504	58563	48399	54911	205064	68815	20062	52548	161632	44256	28862	32428	307600	46283	23628	21439	69478	245840	104274	47916	132374	148802	29832	41594	16977	5995	11980	13271	79701	43835	56269	70369	113059	71154	60519	59569	86663	21489	72416	117272	60880	67724	1923	1898	2780	36640	42994	1582	82188	31485	55876	59940	183650	2409	172316	98504	56212	81168	27219	46796	32712	17000	292478	154916	27773	236260	156716	41644	11571	20683	17646	65744	73257	51058	8637	60203	2264	29326	18977	9820	15531	16127	14958	10196	94412	57006	18895	138176	177262	82986	58661	68732	110886	20623	15873	3753	57916	54937	46377	112272	103814	63969	30615	105394	16010	126294	93882	1864	15417	422020	Lipid	0.45454547	1.5454545	0.09090909
6	C10 H17 O4 N3	244.12918	244.12956	0.039392006	244.1292	7403	5968	5335	7935	4165	3245	6586	7842	3795	2244	2763	4629	2993	2238	4584	12015	8559	4090	4320	1923	1499	11143	5273	12184	5800	0	4966	12069	5642	5279	5408	7658	11969	6369	2701	4582	10355	5637	11976	0	1650	3374	0	0	0	3115	2097	0	7440	4939	6786	6851	4866	0	2763	1454	3065	14096	2429	2116	10753	0	3014	2310	2768	4523	4409	15018	0	0	0	4419	6387	4039	4764	6721	0	3100	6172	15911	5142	1979	2859	0	3485	3502	10364	4977	4324	43763	13148	5528	32055	2976	1797	0	6453	6345	1689	2281	2066	9604	4074	2555	0	11552	3122	0	7130	3984	Peptide	0.4	1.7	0.3
2	C10 H17 O4 N3	244.12918	244.12962	0.013333086	244.12918	48986	49937	42550	43867	51112	32797	17495	42634	58000	23044	21103	30550	73092	14762	29127	26993	51192	84217	82705	22474	30197	81317	34568	47402	23704	1390	10428	23770	41388	29677	42218	36798	73972	34635	40569	31740	58097	27615	64856	22236	24549	59472	0	0	0	19188	20798	0	47216	28183	43439	46663	58461	0	79155	26259	30322	70598	16799	22853	37526	9356	83874	59571	34182	78167	63475	74107	4099	8924	8937	33115	35918	25410	19343	31497	0	21955	26915	33016	20454	10748	13219	4682	35931	32090	33821	61552	67647	131472	83225	64157	165961	18454	15726	0	46954	44170	28512	30218	29542	50169	30090	28899	13744	82559	28907	0	27066	120060	Peptide	0.4	1.7	0.3
4	C10 H17 O4 N3	244.12918	244.12961	0.057482325	244.1292	6915	6090	6307	7958	6375	4432	4006	6291	9583	2086	2879	5009	9783	1940	4971	7406	18933	10149	9845	3654	3795	15610	5450	8813	3943	0	3668	7076	4685	4544	6533	6380	9720	4711	5389	6762	9928	5117	19988	3391	4019	8663	0	0	0	3798	4937	0	7115	4899	6409	7756	7187	0	9167	4460	4732	9421	4585	4384	8241	2623	8956	7622	3104	10700	6682	18564	1005	0	0	5165	3979	5077	6184	4936	0	3360	5704	10017	4770	3255	2993	1620	5581	5097	6213	6480	5865	17131	12550	8372	21512	4380	3066	0	7114	6604	5310	4394	5003	8311	5236	3815	0	11588	5271	0	4675	16928	Peptide	0.4	1.7	0.3
18	C15 H17 O2 N1	244.13321	244.1335	0.052861724	244.13322	13419	12073	11513	16093	8939	5812	4450	6598	4674	30413	30220	5477	2753	6486	8294	8504	11020	3428	7666	26087	26065	21426	3165	7936	4352	58655	5495	30919	8155	6035	4574	4917	6375	0	25246	5207	5886	5732	11435	33294	59202	6847	472	387	351	10949	24331	432	9961	7900	13537	15722	6168	322	3479	2891	3978	11580	7703	17437	5936	16597	4957	2254	3783	7259	6171	13616	42052	41417	83628	6815	6348	3995	6703	8531	441	4985	8179	34935	5120	16987	8933	25411	4949	2284	7612	9761	6307	23373	23064	18266	11866	23683	30902	0	14044	10173	3165	4258	6177	8268	7246	11568	9363	7155	4600	324	7586	3814	Phytochemical	0.13333334	1.1333333	0.06666667
10	C15 H17 O2 N1	244.13321	244.13354	0.009214418	244.13321	14067	10814	16308	13804	6928	7298	7731	12730	4593	43153	31193	7113	4160	4259	5363	18937	13079	7550	9246	50522	50995	10074	7198	17522	9061	38798	12117	34875	13420	7772	7341	12586	16544	14173	40264	9591	19305	7487	16469	21423	25979	8072	666	0	300	13674	16496	452	11327	12370	15132	13999	7889	313	6074	2331	4531	19255	0	4883	18614	7176	4893	4824	3960	7518	6056	19757	20077	39260	42268	14402	11479	9098	11575	13032	0	7289	7732	13947	7098	3248	2092	16965	4237	2844	10246	8526	8000	27167	24693	5580	16680	14249	41230	0	12901	16338	5260	2785	3393	18208	6310	5459	0	16091	3063	0	6447	5099	Phytochemical	0.13333334	1.1333333	0.06666667
14	C15 H17 O2 N1	244.13321	244.13351	0.04882044	244.13322	10417	12939	8969	9180	5348	3018	4808	5867	0	27348	21925	2693	0	5559	3329	8675	11773	4242	4331	28697	31345	15885	3577	8917	5450	40781	4135	21058	4378	4634	5773	0	6169	7485	27312	5960	9223	5211	11362	23615	42374	4967	0	523	336	9166	17600	592	6547	4570	11439	9653	4176	0	0	0	3972	8105	0	11761	0	11293	1691	2543	1285	3214	3323	8956	30835	37571	58649	3950	5857	4489	8411	7762	0	3800	7670	29898	6476	9124	8919	20846	1859	2823	7187	3431	4638	29313	38145	21393	17898	16118	30729	437	12368	9591	3537	2176	1777	7300	5855	3736	0	10551	1510	358	9393	1635	Phytochemical	0.13333334	1.1333333	0.06666667
12	C15 H17 O2 N1	244.13321	244.13353	0.030072303	244.13321	9546	11719	8612	11381	4951	4468	3965	5896	3556	18194	11623	3831	1475	3427	2655	11741	9442	5303	4919	26039	25333	9050	4561	10276	5113	26636	7776	12352	4331	6896	7047	9532	7306	8738	20307	4223	10848	5639	9981	12610	20589	4077	335	398	303	10638	10480	458	9625	5783	9008	9080	7052	230	3396	2193	4169	9041	0	0	0	5869	2914	2602	3266	6508	7384	9126	0	22042	36076	7322	5567	6270	11098	6733	213	4187	5694	0	5404	3200	2185	12738	2961	1375	8007	7048	4964	15312	18266	7165	15148	6608	19357	519	11010	8284	3497	3610	3078	9180	3976	6624	0	7139	2387	395	6368	1884	Phytochemical	0.13333334	1.1333333	0.06666667
16	C15 H17 O2 N1	244.13321	244.13351	0.0733483	244.13322	10887	13287	13149	11921	10296	3870	5664	4540	5666	33738	38718	3310	5620	7765	4623	9247	12068	3674	6290	38090	42418	16730	2842	8363	4342	59553	4820	28797	5724	4106	4337	6858	8991	6212	35436	3862	6351	1878	16469	29050	62886	2744	773	0	399	14453	25524	759	7247	5915	12518	13580	5749	360	4131	3949	4437	10287	4992	12305	6390	18529	2738	4177	3530	4452	6074	11757	36602	46390	80283	3171	3994	4812	8838	5666	0	2578	4401	33658	4528	10512	6922	24630	3314	3718	8907	5098	4713	0	14672	18847	0	28880	35456	0	15304	11723	4439	4631	3598	7630	2255	11735	7647	0	3926	385	6199	5464	Phytochemical	0.13333334	1.1333333	0.06666667
20	C15 H17 O2 N1	244.13321	244.13347	0.03843979	244.13321	7071	9183	5883	4812	6513	3810	2828	7618	3291	10366	16133	3952	0	4361	2994	6086	7777	5055	5094	14321	18304	9128	2976	6879	3736	32557	4689	20215	4113	5330	2601	4254	5925	3678	15356	3429	4941	2464	6952	21688	38186	6444	1224	0	465	9337	16386	604	4530	4621	6350	8372	2691	411	0	1429	2503	8135	3462	10743	7053	7269	4125	2472	2912	3678	6098	6309	32258	17457	47959	6143	5046	3078	5684	5258	690	2054	5465	25136	3189	4406	4408	18463	2308	1224	4065	4884	4154	9888	11307	11180	8560	16758	12789	0	5897	9748	1563	1560	2018	6438	6775	7844	9487	5239	3446	0	5484	2713	Phytochemical	0.13333334	1.1333333	0.06666667
8	C15 H17 O2 N1	244.13321	244.13356	-0.005648365	244.13321	21226	28100	19853	23289	6912	11154	11316	25728	8402	63720	49605	13471	6556	5873	13952	44371	22845	10898	17223	82219	82915	14853	14336	29895	19640	47742	16571	64181	25511	20971	26426	27534	31951	25754	69885	21648	32579	16766	26452	33154	27081	16567	954	288	441	19953	19949	346	31196	22606	20776	25029	10651	244	7795	3724	7800	34785	0	4677	35896	9216	6458	6284	5517	10625	15772	33820	27260	52892	63748	28894	19347	14544	22598	25130	313	13315	15480	23922	13843	2699	1790	27016	5808	4616	15738	18121	16908	58742	34955	0	42965	22506	50080	451	22349	23386	5950	3506	3659	29724	11712	10674	10220	31980	3813	306	13596	6620	Phytochemical	0.13333334	1.1333333	0.06666667
6	C15 H17 O2 N1	244.13321	244.13358	-0.041471794	244.1332	18813	19889	17167	18139	5472	6874	8250	20312	5865	61196	37870	9591	3580	6475	10652	25112	13335	7317	12034	63091	67703	11775	8859	18862	11732	63053	10063	46045	15519	12061	15102	22705	26950	19090	61823	15440	25874	7755	18437	23621	20731	7745	0	0	334	14666	18567	356	17458	13802	18465	17866	7959	328	4219	2936	5486	25819	0	3209	22510	13970	3964	5403	2799	5639	10690	22645	32807	67094	78303	15307	13795	13539	15242	14632	243	8744	8187	18530	8621	2586	2344	26215	2489	3187	9996	10436	8905	37620	20906	3351	23585	21803	51252	379	18592	16337	3965	2188	2598	26138	8502	11919	8236	16890	2548	0	8764	5261	Phytochemical	0.13333334	1.1333333	0.06666667
4	C15 H17 O2 N1	244.13321	244.13364	0.017164148	244.13321	17392	19228	16076	16475	4492	7048	9246	21620	3870	52728	27658	11491	3102	5788	9569	23644	18377	6727	11079	51597	50780	22425	8561	20653	9695	38228	12101	32078	17776	14294	15849	19617	20825	18652	50218	19006	19654	9209	19352	27127	17272	8943	0	313	283	15408	15061	560	24459	19150	17638	17204	8136	363	4364	2395	3859	23125	483	2920	20573	11869	4592	4171	2742	5625	9827	23614	20536	41733	54142	18995	16933	15592	24623	14862	233	11121	11639	28144	10230	3114	2553	20205	2586	3624	11901	10657	9140	34718	21363	6114	33107	22122	47218	494	14939	19906	3131	1581	2046	19584	9667	14620	7615	18038	2385	435	11274	3725	Phytochemical	0.13333334	1.1333333	0.06666667
2	C15 H17 O2 N1	244.13321	244.13362	-0.006740908	244.13321	22232	21289	19424	19572	3013	0	11788	54965	3017	28300	14114	14367	2478	6021	13220	86564	20064	6037	11704	33536	31153	14230	11996	87152	14625	21568	16301	13285	29804	32603	29592	34805	36658	29463	28277	36416	36256	11073	20026	15424	11534	8939	521	282	423	17873	9234	293	39258	49725	20073	20242	5301	473	4334	1456	2787	60339	590	3114	61161	4875	3103	4535	2769	4718	9644	27941	14324	24576	24759	39552	31325	31518	45547	33164	450	15489	10851	9766	8763	2506	2748	10540	1915	3051	10703	9186	11862	30900	15344	7170	68774	8568	20737	649	20387	20530	3620	1105	1255	38559	14227	16439	4262	38849	1266	384	10819	3096	Phytochemical	0.13333334	1.1333333	0.06666667
2	C12 H21 O4 N1	244.15433	244.15474	-0.069758154	244.15431	288630	289140	250952	274284	232614	103969	116020	301862	167042	177810	45143	183818	320496	73243	172898	413438	77685	270290	247632	183420	210246	427882	232002	438448	197272	11804	50306	38851	339370	243722	329506	286884	357998	242996	241666	284522	347044	149288	100944	159632	121722	75136	3776	266	370	183390	178554	307	356756	202484	248436	273938	209400	511	186314	59626	70806	693786	67846	46798	386006	63624	251716	164922	59771	277716	198612	102557	21494	109180	39808	296268	265526	248098	45200	227072	447	173620	212090	43267	38309	38707	36448	60858	119154	95794	699946	234546	234070	989550	537358	527190	713554	60200	190776	1032	274872	276622	54725	79837	80489	248700	163530	218834	99814	433756	142258	0	204298	357110	Lipid	0.33333334	1.75	0.083333336
12	C12 H21 O4 N1	244.15433	244.15466	0.006352473	244.15434	53754	62234	70876	59611	52578	99318	204098	46132	16016	125590	29103	20518	77055	394911	31003	84055	85485	60738	62294	40328	73803	33043	32014	32187	35361	118467	39872	42107	66857	47634	40984	67170	88712	57537	74663	76043	50534	23011	70804	39083	63057	95603	42275	1746	1540	75125	95397	1387	133551	110210	59047	54145	36163	88629	20356	156681	80438	73610	14641	155519	58291	22624	154794	15004	489212	195604	160646	88884	88134	34471	55641	43726	49603	52028	61278	105791	1320	25827	23141	55642	18345	101625	305849	852733	25981	28299	43483	71375	44010	97503	113197	65655	107924	21993	147273	11607	69635	68832	125289	15715	29300	62937	24894	25957	0	41244	27273	1310	27701	300412	Lipid	0.33333334	1.75	0.083333336
8	C12 H21 O4 N1	244.15433	244.1547	-0.004183691	244.15433	30691	29754	28187	31261	41822	20566	32048	44290	26822	27155	14998	27861	55225	25394	31569	63730	42715	36138	38221	35679	32345	28000	27817	28849	20725	13717	26520	16890	35176	31328	29945	32430	51541	30290	35498	34979	43257	32195	50331	18966	21973	22235	1632	463	471	28948	34316	373	55961	32827	24939	30750	28513	816	34788	23717	13265	43864	10456	16934	47094	12855	41655	23154	12316	35231	23731	44763	10035	15862	18143	27603	30886	31604	26957	28957	398	21158	18640	14920	15303	18925	15735	15117	26015	17658	42506	21678	23243	43725	39543	43891	31211	18991	22489	692	38389	33838	20323	31381	34480	45662	21536	24926	6935	41984	27822	422	22256	41543	Lipid	0.33333334	1.75	0.083333336
16	C12 H21 O4 N1	244.15433	244.15465	0.045988534	244.15434	19696	16825	17495	15692	22270	21702	29545	20190	10646	10423	14398	13067	21067	64327	16285	32789	29780	35963	27169	15803	13679	9138	15596	19297	28054	3092	21784	17014	34028	28084	19169	29203	23160	35362	8425	35748	27475	12151	23098	2715	5416	27211	3518	866	1757	14667	9139	1474	25783	25061	18543	17083	20788	2650	10140	14818	13209	41063	6047	14008	39588	1623	10079	7755	34134	28380	50826	25333	0	2816	3895	27523	41431	39152	30150	29030	1217	12642	10000	21269	7283	13584	22706	24366	17525	13074	21305	21353	24785	0	35784	17054	0	6597	14645	1708	17258	22466	19147	10567	19191	31066	12068	14824	14532	27022	17700	952	16893	13500	Lipid	0.33333334	1.75	0.083333336
20	C12 H21 O4 N1	244.15433	244.1546	0.07429416	244.15436	2771	2128	3304	3052	6116	3539	4561	2105	1643	0	0	2956	6653	9038	3498	4690	4539	6178	5373	0	0	0	3541	2682	3586	0	4757	5535	6955	5098	4290	5792	5291	4551	0	6187	2475	2852	5699	0	0	7291	3110	1205	1260	0	0	939	4589	3152	1820	7043	5986	1743	2924	17620	18168	4065	0	1019	0	0	3597	1899	278810	8099	10237	4841	0	0	0	2405	5187	9174	5812	4139	1392	1115	1579	8605	2124	0	0	0	13970	147297	2431	4291	4785	2755	4413	0	2385	0	0	1168	3384	3887	7337	6269	29358	7097	3582	1343	1837	2839	23437	1104	1644	5144	Lipid	0.33333334	1.75	0.083333336
14	C12 H21 O4 N1	244.15433	244.15465	0.04599276	244.15434	26979	23801	24768	27531	22238	35320	32897	29321	8419	22535	10481	12970	29797	238581	17839	34549	49688	26789	25783	21734	28059	17418	13940	16349	25819	21054	35029	17546	37551	40800	22468	35338	31813	41668	20760	41236	34351	17040	30653	17459	9443	35787	20475	1624	1420	17658	21009	1959	36541	25166	26083	21423	22453	0	13352	38770	15186	37602	10062	17427	37201	3756	34828	9622	117838	47032	88946	38643	0	8000	6865	33927	35605	44070	36254	37622	2303	17669	14666	23704	9683	18586	26703	44469	18938	19435	37537	49282	23072	26906	49456	48260	25459	11299	27519	17059	26393	32011	33517	14545	20831	37101	18663	22649	0	33577	16397	1490	20596	25460	Lipid	0.33333334	1.75	0.083333336
6	C12 H21 O4 N1	244.15433	244.15471	-0.06841521	244.15431	66215	70666	68585	72678	41454	66795	50660	72130	30050	39924	22884	32782	42222	22394	49063	120363	32466	44875	67504	36200	53546	127502	37573	81051	36132	9681	46211	148753	43026	42389	71483	49118	89564	41550	47748	41247	80844	51868	45819	21769	29901	110271	1206	0	458	31562	27609	0	62643	49108	68957	67299	67903	523	37282	21089	68063	107316	15352	22325	105937	13168	43371	29980	138949	164225	528121	46023	12965	22659	27805	49744	43908	40312	24854	38314	364	34530	64872	16523	27073	16925	21893	12989	22187	81878	94529	50446	54870	414312	52618	52311	293629	18601	26842	716	64802	59472	22712	20412	31431	73572	46876	36014	43285	123434	28962	308	46404	52138	Lipid	0.33333334	1.75	0.083333336
4	C11 H21 O3 N3	244.16557	244.16599	0.012500016	244.16557	19624	17258	17487	18547	6165	12595	21177	49528	3551	4841	3645	17558	5622	2289	27935	37380	48336	8600	11443	7570	5240	11313	14359	27407	29220	857	22655	9392	26984	15286	21367	31553	39784	15287	9374	26437	33295	25359	60595	3330	3656	32584	0	0	0	8697	3094	0	33378	21416	19643	15063	12634	0	5619	1822	20693	45718	1163	3452	38853	1791	4317	5249	9130	9625	21128	45549	1708	4567	2385	8984	13661	12865	41497	22664	0	18563	23748	23140	14547	3570	46566	2456	3992	16404	30355	10652	21472	66748	24817	10730	40226	5493	4316	0	16423	19506	4590	1928	3656	27827	14553	10092	3314	32406	3798	0	35039	11970	Peptide	0.27272728	1.9090909	0.27272728
24	C16 H21 O1 N1	244.16959	244.16988	0.075103305	244.16962	0	0	0	0	0	0	0	0	0	0	2700	0	0	1034	0	0	0	0	0	1769	0	0	0	0	0	46521	0	3676	0	1112	0	0	0	0	0	0	0	0	0	2475	4198	0	0	0	0	12664	23513	0	1324	0	0	1109	0	0	0	0	0	0	0	949	0	1884	0	0	0	0	0	0	29447	11628	20136	775	0	0	0	0	0	0	0	4117	0	11007	1165	3831	0	0	0	0	0	0	1394	0	1285	2722	2239	0	1281	1760	0	0	0	0	0	3019	11696	0	0	0	0	0	Phytochemical	0.0625	1.3125	0.0625
8	C16 H21 O1 N1	244.16959	244.16994	-0.013329173	244.16959	4447	4448	3710	5370	1720	4872	0	4639	896	17601	10979	1528	0	8851	1873	7532	2268	942	1582	19962	17416	0	1438	6713	3977	14508	1876	11338	4209	2582	5073	6907	5071	5354	17588	3769	5765	2289	1271	3852	0	4882	0	0	0	1615	2420	0	7388	5451	5230	4875	3694	0	0	0	4812	6669	0	0	6875	0	0	0	7374	2496	7026	7236	4755	9741	12458	3353	3673	2525	3835	3915	0	1743	1385	3444	2984	0	0	4198	0	0	0	4815	3938	26745	0	0	21349	4180	10264	0	4038	2470	0	0	0	4871	1464	1716	0	8024	0	0	1402	0	Phytochemical	0.0625	1.3125	0.0625
2	C16 H21 O1 N1	244.16959	244.16998	-0.123869166	244.16956	5010	5407	4805	5550	0	0	2023	18954	0	7330	3670	9727	0	0	7450	24264	6192	0	0	13267	9316	1043	3901	17832	8130	487	4067	2787	11537	12724	12373	11287	5199	9827	6804	12698	8636	6221	6232	8683	1022	0	0	0	0	3148	5326	0	16025	17209	4360	4407	492	0	0	0	0	12812	0	0	13378	3178	0	318	0	0	1977	8074	0	934	617	12337	10098	13056	11270	11869	0	10244	5084	5009	4390	0	0	7885	0	303	2780	0	2233	3992	4980	0	11862	2438	11575	0	5644	5854	0	0	0	5613	7500	5814	1608	8667	0	0	4352	0	Phytochemical	0.0625	1.3125	0.0625
22	C16 H21 O1 N1	244.16959	244.16989	-0.09064354	244.16957	0	1744	0	0	0	0	0	0	0	0	0	0	0	0	0	1480	1677	0	0	0	0	0	0	0	0	14576	0	0	0	0	0	0	0	0	0	0	0	0	0	1759	3955	0	0	0	0	10337	20855	0	0	0	1457	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9739	3044	7281	0	0	1163	0	0	0	0	0	2577	0	9183	0	1803	0	0	0	0	0	2369	0	0	0	2126	1948	0	0	1416	0	0	0	0	0	0	8492	0	0	0	0	0	Phytochemical	0.0625	1.3125	0.0625
6	C16 H21 O1 N1	244.16959	244.16998	0.0442117	244.1696	8741	9265	7979	9916	6922	13309	4461	17449	4735	26753	14269	5039	4012	56325	7052	16696	6445	2996	7561	30302	32317	1134	7801	19704	4814	12450	6253	15711	11542	13125	15895	14556	10825	14333	30474	12595	12196	7312	7864	8001	0	3478	0	0	0	4420	4954	0	15824	13615	11258	10387	5596	0	4631	3300	4082	15307	0	0	13835	1884	3946	3164	1782	5565	9603	19710	4883	7624	10444	18284	13796	16660	13059	15479	0	6367	5464	4819	7359	0	0	7856	2999	1380	3799	3809	5058	25791	5017	0	20954	4531	18646	0	8331	9053	5129	433	1307	12203	6789	2100	0	14707	1198	0	3630	3638	Phytochemical	0.0625	1.3125	0.0625
4	C16 H21 O1 N1	244.16959	244.16998	-0.049981616	244.16957	27504	27391	28285	24942	251	2877	13595	110307	369	24572	14644	46083	0	971	80688	93279	46916	1563	3711	35268	29525	4579	26033	86823	19412	4104	20173	14355	60395	0	90400	49063	34188	46808	26738	55618	37121	75576	41653	17696	2442	6616	0	0	0	12433	7298	0	86665	101363	27019	23349	3178	0	405	0	3134	67038	0	0	86175	6637	0	643	4238	1746	7370	69889	4060	5638	4095	72450	45385	56517	53237	47691	0	48307	16250	7871	21513	0	648	13786	347	1352	9887	10679	10610	34073	14452	0	49693	7906	27178	0	24489	25637	0	0	0	31399	40076	15371	0	49673	0	0	14867	371	Phytochemical	0.0625	1.3125	0.0625
0	C13 H25 O3 N1	244.19072	244.19115	-0.12133167	244.19069	3079	3486	2192	2505	0	0	6477	4294	1075	2489	1803	2903	0	0	3438	2172	5540	1406	1827	2912	3803	2555	2419	2186	2739	3691	10625	2749	1740	0	2847	0	5205	1681	4435	2730	3381	3349	5455	2363	6535	1130	0	0	0	1327	4243	0	2936	1840	2305	2572	1603	0	941	1316	0	5152	1794	5007	4324	4600	0	0	55391	0	1782	7729	40984	2948	7970	2077	1529	2501	0	2685	0	2515	4527	4717	2197	11818	2380	1334	1136	1706	14745	1415	1469	10362	7123	7171	4399	4510	2624	0	3104	2862	1297	500	0	3149	2877	2398	2142	2555	876	0	3609	1316	Lipid	0.23076923	1.9230769	0.07692308
2	C13 H25 O3 N1	244.19072	244.19115	-0.010620803	244.19072	9794	10739	8911	8856	7797	0	11395	10833	4342	7491	4373	6715	7360	14821	9976	13966	10016	6827	7452	8698	8585	9205	5782	6851	10873	2470	13973	5033	10017	10661	10279	10920	15288	8327	9272	10855	15415	6979	11442	4760	3680	6673	652	0	0	4227	3409	0	11590	6377	8251	10169	9063	0	6511	2285	2959	14882	1515	1193	13971	1797	4864	4846	8957	10085	9473	13851	4328	4211	5404	7542	8563	11969	12668	7994	0	8632	7512	1890	3446	2504	2406	4408	3545	4023	22835	5025	6292	15139	25071	20411	14709	4540	10742	0	9753	11490	4513	2830	3549	14833	6292	10329	2306	7761	3314	0	7119	6882	Lipid	0.23076923	1.9230769	0.07692308
18	C13 H25 O3 N1	244.19072	244.19098	0.05372005	244.19073	0	0	0	0	1295	0	16097	0	0	0	0	0	2272	15212	0	0	1383	0	0	0	0	0	0	0	0	3986	21171	2969	0	1257	1447	0	0	0	0	1995	0	0	1798	0	0	3875	1993	418	863	1995	2280	620	0	1433	1773	0	0	854	0	2032	2665	2005	0	1346	3094	0	0	0	7790	12147	14565	2317	0	0	0	0	0	3138	1395	0	563	0	0	2878	0	1836	2520	25244	0	1883	0	1056	1719	0	0	0	0	0	0	0	0	2897	2719	0	2951	0	0	2022	0	0	0	527	0	0	Lipid	0.23076923	1.9230769	0.07692308
20	C13 H25 O3 N1	244.19072	244.191	0.071103506	244.19073	64362	70018	67154	60846	67034	31114	36378	66835	13737	40715	37800	28657	30716	67945	8375	63528	237008	6140	0	21998	20558	47567	0	20053	15406	20082	77158	45295	87314	37741	36648	130193	178084	28801	46902	32029	76198	14040	338996	32329	184110	668801	125955	21447	29129	57268	127059	38767	74910	67559	68262	69822	38679	88422	23258	5544	12916	80771	8234	227943	57976	5608	0	20064	44506	83556	80347	420684	18145	20295	147830	61178	31902	25344	132346	70936	40217	13185	21031	112512	20930	0	18124	37015	22340	70664	18377	70571	78919	204465	44090	32679	27447	15152	26122	39674	58280	48932	20834	18022	65555	100251	33162	114596	12647	152087	36426	35121	8994	46845	Lipid	0.23076923	1.9230769	0.07692308
8	C13 H25 O3 N1	244.19072	244.19106	-0.0237857	244.19072	39260	41056	25900	42512	4034	18115	139122	136487	910	10969	8527	39982	4297	2671	28714	137176	52240	2655	4264	4738	3726	23028	102407	245232	21056	738	118379	11616	39397	104259	60439	49620	114356	28505	9070	43595	110708	32776	77143	2507	1291	5440	0	0	0	40515	2401	0	55890	102989	37700	42144	3518	0	1900	1093	1683	99222	0	0	106359	0	2767	2411	5970	4414	3220	68929	0	2498	3083	101594	142316	118777	79712	125768	0	36511	50898	6008	91719	4066	1950	2254	1512	6609	53983	4859	11194	88093	20910	6632	70416	1399	2837	0	38146	35209	1603	1055	2050	113884	33387	5995	0	63059	0	0	31077	3509	Lipid	0.23076923	1.9230769	0.07692308
10	C13 H25 O3 N1	244.19072	244.19101	0.10920959	244.19075	3816	2104	3530	3136	1193	0	21534	3688	0	2537	1984	2408	0	2431	1310	2263	10371	0	0	0	1219	0	0	1485	0	0	13728	4530	5870	13627	3089	6211	17069	5918	0	7254	19700	1235	10435	0	0	981	0	0	0	0	0	0	3881	3408	2565	2700	1203	0	0	0	667	2177	0	0	0	0	0	0	4334	1683	0	8583	0	0	0	5943	20151	11993	12868	14834	0	2272	0	0	0	0	0	0	0	664	0	1203	0	1752	10863	0	0	0	1350	0	1989	1706	0	0	1907	17353	2371	2318	0	0	1393	0	915	0	Lipid	0.23076923	1.9230769	0.07692308
4	C13 H25 O3 N1	244.19072	244.19115	-0.010770262	244.19072	9366	10895	10526	10929	12647	8334	9132	15935	5282	6219	2738	7151	15982	17800	10598	13516	11282	9846	12993	6289	6120	9357	5379	7838	11998	2347	8232	4667	12766	14638	31250	13612	29371	11408	11967	13107	32077	9956	11416	4867	2247	4914	0	0	0	5111	5012	0	13644	14180	12148	8357	9887	0	7164	3982	2643	18166	542	0	13964	2065	12116	5067	4681	15697	10092	12406	1813	3158	2405	29468	15591	33034	7923	25932	0	11027	6991	4093	4506	2397	2507	6529	6929	3851	17564	6030	7575	9620	20819	10915	15107	4389	5270	0	11032	11813	5677	4440	6837	27342	8169	7737	0	11433	6205	0	7316	10001	Lipid	0.23076923	1.9230769	0.07692308
6	C13 H25 O3 N1	244.19072	244.19109	-0.026793083	244.19072	20984	20013	14743	18079	13988	7823	73636	27226	7576	9859	6936	11023	20844	17708	8807	15629	27358	12943	16498	8122	6410	6842	3657	4518	18383	936	59566	7322	24337	48194	26153	32091	84266	22473	12394	28673	80843	6920	35544	3653	1739	4257	0	0	0	6069	3234	0	30445	27752	22125	17332	8132	0	9257	8492	3371	17821	0	0	14053	0	9062	4937	6556	14976	7089	31649	0	4054	3660	30750	55598	42726	34017	51019	0	14025	6989	0	2766	1862	1804	2692	9713	6469	19962	7159	9162	9620	24299	13509	12856	4009	9248	0	13737	14119	5787	11482	13990	78702	12338	6649	0	12561	7799	0	6550	14303	Lipid	0.23076923	1.9230769	0.07692308
10	C12 H25 O2 N3	244.20195	244.20227	-0.021874089	244.20195	37526	34402	37636	30105	0	9573	0	65329	0	7992	0	22122	0	0	24038	32068	0	0	0	6877	2080	0	922	8172	37423	0	13184	0	171606	193557	801676	86031	235396	79227	1448	196018	93645	3100	0	0	0	31529	0	0	0	0	0	0	130148	28849	39930	34766	3629	445	0	0	0	32361	0	0	60828	0	0	0	0	0	45865	0	0	0	0	57175	618401	433910	7837	552642	0	105977	0	0	0	0	0	0	0	653	0	21863	93262	0	0	0	0	0	0	0	37625	35724	0	0	0	287102	36525	6718	0	5773	0	0	1037	0	Peptide	0.16666667	2.0833333	0.25
6	C12 H25 O2 N3	244.20195	244.20232	0.022458768	244.20197	2492	1630	1379	600	0	0	0	0	0	1263	3390	0	0	0	0	1647	1065	0	0	946	693	1446	0	4696	1196	585	0	30963	0	0	0	0	0	687	0	0	0	0	0	3734	5511	0	0	0	0	0	0	0	0	0	1573	1132	0	0	0	0	0	2774	0	0	2193	2170	0	0	0	0	1089	0	0	0	0	0	0	927	798	697	0	654	860	15909	509	0	0	5124	0	0	643	559	0	2946	26792	20422	1884	2809	1534	0	1802	1220	0	0	0	0	0	0	0	2614	0	0	1721	0	Peptide	0.16666667	2.0833333	0.25
0	C12 H25 O2 N3	244.20195	244.20236	-0.20823757	244.2019	2940	4099	2448	3177	1718	0	0	1871	13624	2949	8626	0	2290	0	0	0	1281	2120	1544	0	0	2046	0	1992	0	0	0	74167	3015	0	1672	2086	2390	0	0	0	1497	0	1392	2438	1446	0	0	0	0	3133	3359	0	1396	0	3484	2593	1538	0	655	3522	5936	4151	0	0	0	0	0	2376	34232	2324	2098	1667	360	0	0	1931	1984	0	0	0	0	0	1513	114293	1152	3199	0	0	6414	70187	2313	1944	1696	0	45571	89898	3567	6931	0	0	3630	3990	2609	3114	23648	0	0	0	2626	4763	33043	0	0	1816	Peptide	0.16666667	2.0833333	0.25
2	C12 H25 O2 N3	244.20195	244.20236	-0.031164637	244.20195	3759	3541	3725	3221	2700	0	1661	3069	1152	4852	6978	1065	1164	2240	1396	3525	2044	2796	2475	0	411	2231	2114	13300	2152	0	0	50318	4041	1408	1670	2457	3603	2512	1003	2608	4107	1218	2423	563	502	0	0	0	0	1371	471	0	3301	1472	2829	4024	1798	0	1635	330	545	5723	0	211	7449	0	1991	1704	0	1438	1796	3049	0	638	0	2499	2190	1548	2583	1863	0	1172	2350	11859	1372	0	0	323	1424	1346	4359	2129	1379	5353	82660	37572	6709	4203	685	0	3695	3475	927	480	692	3232	662	1442	221	5187	982	0	2274	2826	Peptide	0.16666667	2.0833333	0.25
12	C17 H25 N1	244.20598	244.2065	0.19682455	244.20602	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1490	0	0	0	0	0	0	3887	133922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1391	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1017	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	1.4705882	0.05882353
24	C14 H29 O2 N1	244.22711	244.22737	0.005514614	244.22711	26837	26105	22469	23796	13759	5989	19053	12655	7013	7260	28034	22194	4860	9417	8692	43153	46383	4533	6842	8546	11191	0	5913	15449	81066	41672	15362	53755	60215	16869	33054	13805	35131	9374	20218	11873	52447	12566	48243	10994	24983	91394	15378	4245	8484	29404	406874	6049	18907	18135	25570	26045	11460	27757	7744	6730	13311	37815	12623	37258	17642	18452	21149	55204	29574	7075	17288	64434	15315	10092	17060	6097	7558	22034	59832	15022	14097	13163	35469	47368	51860	46251	19885	26045	20858	244319	11863	36613	18629	27172	19761	170002	16349	13928	12240	16212	24909	30301	42746	9213	30888	35643	13066	28853	24887	64760	23558	4960	304508	4143	Lipid	0.14285715	2.0714285	0.071428575
22	C14 H29 O2 N1	244.22711	244.22743	0.070187114	244.22713	2372	3642	2320	2366	0	11717	20551	0	0	0	1804	0	0	36249	0	0	2731	0	3905	0	0	0	0	0	0	6243	26353	6611	1479	1706	1080	0	1252	0	0	0	0	0	1874	0	2691	16355	0	0	1444	0	2298	0	0	0	1645	1853	0	2194	0	14457	20225	6239	0	4145	2078	1899	2565	0	26046	0	12433	4242	2569	0	2277	0	981	0	0	1629	1745	0	0	3712	0	3681	3004	10160	0	1481	0	1549	3415	1872	0	0	0	0	0	0	1724	2576	14370	0	0	0	0	2025	1692	0	0	0	0	0	Lipid	0.14285715	2.0714285	0.071428575
20	C15 H33 O1 N1	244.26349	244.26378	0.0844809	244.26352	41281	30318	67385	40969	14149	97173	247289	93775	15768	54888	73798	114711	17516	37992	121028	85564	93569	41252	19756	69042	68874	8134	0	92019	120086	902286	467581	221861	79922	83284	68377	40049	24207	75338	10543	104183	50486	81250	54333	25443	36466	98290	209807	276959	203360	62762	76769	146875	68763	110831	48375	35275	40003	232567	35402	46364	44778	25224	98430	117967	62911	81294	4896	38133	135543	11558	58054	28427	91310	56568	38308	94635	69022	94674	75000	33472	226437	97913	46395	96801	20070	0	90723	5872233	52865	123415	38764	40977	37871	19973	27155	33235	65911	45169	66130	168572	56329	73172	28354	9210	25657	55337	54770	100954	128919	65437	38635	283594	59451	5621	Lipid	0.06666667	2.2	0.06666667
20	C13 H8 O5	245.04445	245.04474	0.09682436	245.04448	6147	5773	5223	6811	16808	9092	5692	1776	12202	0	0	4658	15102	9578	4283	3991	3079	16767	12052	2673	4950	5127	8940	5565	5083	2074	4415	2006	2221	0	2294	1808	6405	1711	12323	1861	7631	3794	3236	2246	2003	5928	2070	1889	2406	5938	5819	2767	2293	1754	7825	5385	11848	1927	12960	8231	8729	3848	1853	2045	3998	1378	20604	12822	6807	13243	7112	2446	2530	3131	3184	1863	3946	2522	0	1795	2189	4420	10528	7497	8247	5616	0	0	22071	8109	7001	7759	7012	4217	2916	3377	6379	3200	4155	3223	3790	6314	11698	14127	17213	3556	5286	3456	3333	5529	5870	2243	4820	17472	Phytochemical	0.3846154	0.61538464	0.0
10	C13 H8 O5	245.04445	245.04482	0.13706373	245.04448	11511	11556	8158	9540	25345	11018	6055	7164	27203	6679	7976	7068	35565	11371	7753	8279	6443	28759	31964	8494	10682	15654	10557	9108	3617	1485	7683	4221	6682	4735	4942	4498	13243	4387	15102	4830	6594	6944	5995	5860	6335	9200	2335	1393	3300	5757	5882	2762	2613	2340	11154	13829	17021	2066	23095	21087	11481	9052	4608	4357	11982	3049	30266	26154	9446	28672	11383	8088	0	3420	4708	3521	4080	2132	6400	3565	2252	5520	13644	6227	12343	6418	2909	1489	27378	12777	12438	12435	16100	11403	3718	3266	11060	11272	11234	3468	11719	9347	20036	29993	25590	11648	6265	6101	0	5831	17152	1794	5547	40721	Phytochemical	0.3846154	0.61538464	0.0
12	C13 H8 O5	245.04445	245.04482	0.12189391	245.04448	22465	23993	18981	22907	39442	21525	12940	14150	40213	14459	12380	11422	42730	24574	15077	26657	19090	57121	63484	12575	10563	24091	19808	17152	8712	2176	15520	0	11475	12537	11539	14875	27677	11968	24803	11368	24358	18825	18620	9443	8202	26269	2518	1844	2740	9706	7450	2887	18735	7321	22400	22183	32149	2173	37472	29650	23402	26110	7418	0	0	6283	56410	40579	16543	51283	23200	17505	0	5543	7358	10643	11151	9218	16163	13624	1599	14627	26792	0	18795	8308	8166	2987	30234	21956	33387	29762	35546	21208	10109	12973	20637	16513	15891	2684	23295	16492	31987	35100	35022	21482	15535	5879	0	17241	28322	1961	17738	58979	Phytochemical	0.3846154	0.61538464	0.0
8	C13 H8 O5	245.04445	245.04485	0.12764643	245.04448	7153	6600	2534	6826	12472	5494	3669	1442	15169	4395	7004	4094	20390	6858	4072	3058	3166	12509	14618	5118	3507	9132	5935	4337	1962	1687	2472	3340	2342	2909	2703	2287	5427	1502	10029	2050	3401	3340	3388	3372	5643	6050	2129	1052	2234	5127	5095	2266	4577	2689	5104	5840	8810	1665	14503	16270	6826	3530	2709	4133	0	2634	20758	17315	6585	15394	4932	3565	0	2177	3128	2503	2593	1872	1317	4228	1449	2641	7006	4133	6059	4531	2369	1370	13874	6625	6919	7370	9025	6576	0	0	3362	6163	5438	2197	4422	5184	9981	19469	17094	4223	4984	3280	0	3333	9002	1319	2952	19328	Phytochemical	0.3846154	0.61538464	0.0
18	C13 H8 O5	245.04445	245.04475	0.087470196	245.04446	13333	14936	7872	10762	26684	19073	10944	7205	22810	5618	4370	8409	40409	27132	12248	13536	10779	45389	40521	5211	5595	13639	13429	11333	10271	2854	6909	4978	5649	6783	8145	5493	17482	9655	10911	7341	17507	10305	8618	4711	4330	15505	2175	2339	2895	4739	4525	3175	8582	6308	15304	12056	21299	1869	23438	20158	16569	17069	1661	4975	14065	3374	42766	22535	13146	36374	16533	10283	3960	4041	3187	4235	4133	3662	5501	7190	2421	7044	20117	7224	21667	6576	3048	1810	28020	20729	22156	22189	23348	11145	8906	7061	16667	9704	11180	3475	9404	12640	20191	28068	22555	12277	7632	3995	3118	11083	18798	2000	13885	37627	Phytochemical	0.3846154	0.61538464	0.0
16	C13 H8 O5	245.04445	245.04477	0.09726295	245.04448	24861	21631	20419	16564	45188	33605	14428	11598	41373	9251	9792	12753	59179	33453	18533	22093	15167	73229	67596	9019	9945	17657	22290	20551	17560	4466	13065	6347	10456	10355	14090	13339	28877	11834	17197	12980	26435	18261	12947	5698	4511	21674	3334	2448	3279	10321	6396	3693	16255	6759	23219	24031	35633	2483	42677	26397	25856	27989	2654	5386	16653	3819	61564	35920	19547	65589	32400	14424	4895	4111	6198	7810	12917	8412	9853	12582	2653	13011	36976	15830	23112	8840	4918	2829	45838	27700	40270	33437	41795	0	14377	11280	0	9999	13044	4611	20372	18864	26683	34284	44022	21905	13027	4765	5477	13849	27574	2316	18805	56734	Phytochemical	0.3846154	0.61538464	0.0
14	C13 H8 O5	245.04445	245.04478	0.098031305	245.04448	24104	31330	23333	32393	52909	37392	20858	19668	48505	15607	14247	17165	71511	35936	24626	26546	26392	84234	80356	13183	17516	27674	30473	18695	23039	3998	24675	0	17428	16343	10366	19349	38649	15364	18747	18662	30721	19932	24409	9105	11273	32457	3326	1388	2529	11661	7016	3344	19844	14456	25141	26224	37848	1905	51184	30479	28053	39972	5097	5892	19087	5556	71966	43190	24916	75783	35511	22945	0	8692	8581	13265	16985	10962	18476	19762	1783	17550	41132	17374	27909	10050	4934	4472	45866	30913	41661	42147	46191	28766	13684	13061	30090	14571	19820	3521	28172	26851	31925	47870	45557	36080	20242	9373	0	20797	28572	2187	21178	59285	Phytochemical	0.3846154	0.61538464	0.0
6	C6 H5 O2 N8 Na1	245.0506	245.05098	0.14733137	245.05063	0	0	0	0	0	0	1623	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2388	12057	0	0	0	0	0	0	0	0	0	0	0	0	0	2724	0	0	0	0	0	2003	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57612	0	0	0	3885	0	0	1589	952	2114	910	0	1413	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.33333334	0.8333333	1.3333334
4	C10 H12 O7	245.06558	245.06598	-0.11677149	245.06555	5636	6155	5213	6079	15416	6113	1484	2511	12149	0	1885	2051	36031	9268	2952	3323	4556	21898	18281	1180	2689	2901	3386	3793	1234	827	0	0	3873	2251	4317	3825	5515	3929	2802	3443	5153	2161	3553	1059	1346	7033	0	0	1094	2013	1696	1202	4687	2781	4868	5359	9610	1025	13161	18646	3608	3869	1546	0	4014	0	30345	10104	5171	21989	7512	3852	985	0	0	4678	4663	3949	2372	3412	503	2383	4379	0	2628	1190	0	0	18706	6378	3948	6504	7832	3044	1780	1537	2584	897	1585	0	3877	7422	9320	26688	28525	5431	2498	2132	0	3939	10031	927	1845	31602	Phytochemical	0.7	1.2	0.0
14	C10 H12 O7	245.06558	245.06587	0.022328744	245.06558	3538	6443	3782	2659	10129	7340	3442	2367	11804	0	1775	3765	22256	6933	3543	3427	2811	12082	10849	0	0	0	5050	0	2359	0	1494	0	2589	3070	3359	0	4776	3062	2711	3325	3894	3813	5036	1103	0	5192	0	0	0	3359	0	0	4091	3985	3322	5620	8415	0	16144	8327	5633	2833	0	0	0	0	16462	13284	5342	12758	8556	3397	0	0	0	0	3152	2090	2168	2851	0	5186	3466	0	3928	1035	1350	0	8140	4526	2958	6247	7960	4174	0	2628	3353	0	0	0	2765	6900	5604	8036	9445	5880	5443	0	0	2032	8137	0	3090	15417	Phytochemical	0.7	1.2	0.0
12	C10 H12 O7	245.06558	245.0659	0.076862	245.0656	8460	10498	5521	8822	19155	13455	5964	4990	26130	0	5139	3693	34122	17622	5893	4429	4594	27411	26187	2680	0	0	8703	2636	2098	0	4079	0	5580	3776	5067	5194	9983	4509	2055	2594	7007	5352	6543	2059	0	9707	1561	0	0	1466	0	0	5540	2991	6145	7952	18535	0	31169	14626	8500	6014	0	0	0	2458	39352	23735	8723	35210	11819	0	0	1096	0	5911	4174	6040	4697	3698	0	5128	7539	0	4146	1586	1780	0	16137	9109	5732	9179	10246	0	2960	4953	3851	3338	1650	0	7925	7159	15449	20288	20999	6233	5919	0	0	7740	16118	1589	2034	52753	Phytochemical	0.7	1.2	0.0
12	C14 H12 O4	245.08084	245.08118	0.012331513	245.08084	161169	206331	162399	179438	172015	123678	124725	144018	192938	191868	153535	93293	196486	105152	120069	181784	132530	253517	264852	218268	219349	244521	146507	146323	108227	145803	127671	106217	136487	127662	128259	148632	192614	115735	279762	118468	158597	123631	158101	194041	195306	125818	17827	13177	18039	132490	151657	23079	146412	114701	176442	188407	166897	13105	245467	137421	129466	183794	119804	119821	164856	131070	246917	184206	94848	209017	128295	138026	167507	215332	223474	108108	108267	108878	128108	141712	12268	106679	156218	126167	151731	135710	106626	114137	169656	120444	185688	117696	152579	188382	157814	160854	180767	143936	197106	22510	180003	189483	169737	166797	173278	172696	116407	136104	97749	118345	150966	17689	109747	222400	Phytochemical	0.2857143	0.85714287	0.0
20	C14 H12 O4	245.08084	245.08112	0.024960898	245.08084	90206	105266	96994	90018	137329	112892	56490	85287	107432	79041	68931	59301	176911	124992	81601	87961	78756	187265	173909	92405	86554	101100	85626	105165	73343	70793	65895	71463	88879	73637	70571	85231	119578	86363	110252	70987	124720	65537	87740	80790	95402	101386	27498	24563	20575	82402	202093	29527	81389	61181	101779	103645	107631	36654	118601	106359	79984	109291	58783	71927	80455	51888	147233	108365	72693	170784	100656	96076	62085	71820	100567	78928	76004	58729	59112	87080	21484	58059	107681	81468	81367	53077	49545	51552	120531	80742	118636	119544	99503	104457	98881	103819	125969	65824	73437	31938	101070	96369	92717	125477	124474	119612	69012	84214	49959	356203	86942	25633	76538	171270	Phytochemical	0.2857143	0.85714287	0.0
18	C14 H12 O4	245.08084	245.08112	0.023560807	245.08084	166541	170001	145748	147612	224541	168525	118296	139318	170361	172621	128513	89164	262596	169205	130416	178036	127118	334991	356422	176901	136109	176832	138612	157640	115852	92058	100206	123403	139183	119142	122083	138464	201799	144745	190090	134095	197524	122180	129168	143668	122555	159708	22442	13650	19964	121314	93589	20476	150125	107074	150239	168967	187537	15255	217567	165140	128985	192673	83189	84826	154545	95067	251468	181458	114028	266148	191088	131795	94056	110951	124242	126329	100506	100386	102420	148595	14157	91365	168900	142781	141727	115855	86838	77980	183709	153740	180484	191164	205568	169359	182061	152015	210337	116985	162664	24129	157188	160055	170229	175120	183930	178229	99413	126550	66673	136771	129122	16511	126774	248873	Phytochemical	0.2857143	0.85714287	0.0
10	C14 H12 O4	245.08084	245.08116	-0.006254017	245.08084	120631	125230	109508	112454	121466	81080	86641	93092	143103	145480	120889	85249	142280	79347	96589	116627	99282	161063	175476	149124	156420	161263	110927	103854	70902	105268	84545	77821	97624	83665	80566	96234	121904	72352	185491	87492	120519	86257	123415	130915	139405	88251	19603	14361	18985	93964	93688	22172	94720	81467	109534	121939	106287	13407	169181	111954	83617	133443	82771	99598	111631	82272	126106	136755	64752	135009	81118	116835	143220	151402	181453	71147	73748	77612	95166	107199	15299	66887	129070	75142	119007	93654	76749	75446	130998	91681	131102	88051	109097	127632	104389	94132	118737	116007	144126	22453	105040	118051	126540	136774	126539	116922	91519	102965	59902	82665	106497	15286	77536	143269	Phytochemical	0.2857143	0.85714287	0.0
14	C14 H12 O4	245.08084	245.08116	0.015137342	245.08084	214211	228138	190490	212163	244313	180873	148719	165170	268841	235794	186878	129419	299453	154047	162331	196050	159001	377781	343388	247329	245182	289483	181550	179204	143597	166047	146402	165725	164387	154303	142596	190607	249828	139011	324018	157384	221516	153122	183029	233157	213858	180534	22554	13500	16281	161736	169035	19788	194877	120767	201005	191811	208829	12872	287662	206231	154856	261326	151355	132932	175520	148912	295725	255601	132986	293769	186177	177162	176780	238758	225747	133205	134741	141376	138337	172146	14700	135673	216498	160606	193334	150706	134083	153428	234168	166556	233307	195800	219275	257844	204131	183157	241310	176869	218994	22282	211026	201990	211562	250779	235276	205038	143210	177588	104997	168340	180945	14585	154570	278034	Phytochemical	0.2857143	0.85714287	0.0
8	C14 H12 O4	245.08084	245.08119	-0.004609322	245.08084	72884	78765	44937	64985	67088	46626	46677	52444	86296	73356	61312	48429	73163	41660	47446	60301	66687	78896	101052	83916	86520	91229	61571	66529	33449	63631	43129	49727	49791	50740	53941	59383	63148	47200	111449	48009	60523	50228	71554	67700	83846	56572	14933	11438	17484	64421	65417	16902	60022	49048	57472	73729	64711	11219	96154	72341	56681	59130	45875	59815	58899	45778	90547	77790	41020	70737	50256	70123	81372	72167	118905	45834	49683	43947	51725	66746	12887	42762	71905	42218	69782	56871	51178	42551	74340	42184	71180	51478	65195	84068	47334	58916	68343	66947	62842	17021	66582	71266	75257	89252	85420	64953	58336	58619	37518	48588	64268	11144	45719	81038	Phytochemical	0.2857143	0.85714287	0.0
4	C13 H12 O3 N2	245.09207	245.0925	0.05066904	245.09209	18498	22422	18536	20878	17780	13848	14002	16678	18252	30209	29615	13396	16384	11890	18087	25036	35133	36615	33482	31882	38257	29868	16821	25042	16631	21674	13619	30730	13065	11084	14111	12794	19405	13060	35390	12724	20903	15265	38863	22284	39100	18710	1150	759	759	20681	29067	1091	17366	16958	19041	16219	22525	513	18125	11404	12976	21755	5075	15826	22564	14904	19495	13660	10694	16778	12948	33191	20571	24396	31059	13573	9095	7564	19733	10720	557	11693	22833	231871	20434	13958	8268	14451	35977	19129	25252	22761	18331	47391	29299	15796	42076	32281	30546	1541	17632	23694	15065	14401	16901	22359	13136	15173	13899	21849	11939	973	18918	19561	Peptide	0.23076923	0.9230769	0.15384616
14	C13 H12 O3 N2	245.09207	245.09239	0.027257472	245.09207	35818	35948	34671	32534	16975	16159	28650	32499	8669	21273	26379	24373	11828	10538	25247	59119	69247	35786	47606	14307	21504	53857	26662	52777	26830	12888	32132	26949	24040	25609	27094	32499	44202	28620	23375	22271	38705	25036	82521	21821	34956	21469	0	891	891	21070	25648	1402	37188	25632	30435	31458	18244	707	8887	5667	15657	71937	12821	25074	45060	13713	11383	12522	16996	22253	24951	74859	16008	11952	31204	31312	26892	16797	43249	29243	728	21237	52651	48152	38261	16930	17034	15880	13108	12231	87198	41709	39035	218873	42669	27527	119598	29401	38146	1467	30606	29219	6686	6729	7184	35002	22482	19396	0	65270	8284	885	52502	14343	Peptide	0.23076923	0.9230769	0.15384616
8	C13 H12 O3 N2	245.09207	245.09244	0.017903486	245.09207	66241	74230	60698	70407	20884	21703	76364	88061	20370	49541	56374	68366	14747	10449	72790	157890	195534	31698	40571	40188	43718	59945	73195	109048	71604	18642	89700	54440	59103	57967	66744	77614	94783	75443	45009	63408	96887	81029	246979	30967	56044	41481	1160	776	736	31769	33110	825	95482	76122	61245	71529	35891	697	22475	12639	26875	99616	10698	31765	112035	19705	21105	24546	28720	29725	35533	278786	22124	27427	44244	81231	58561	35090	104780	67671	450	54433	105974	38601	79590	21884	18566	27714	24477	23873	95765	80243	48458	336335	30417	36642	181136	37615	45997	1228	68845	59164	16490	15608	16194	88301	66144	24389	8314	113539	13759	841	100619	22724	Peptide	0.23076923	0.9230769	0.15384616
12	C13 H12 O3 N2	245.09207	245.09239	0.01581562	245.09207	27454	30948	24896	29249	16360	11443	28072	29563	10731	24203	22562	18380	9016	11113	18619	42550	41274	22798	28646	19512	27010	52886	24859	45405	29780	13579	25810	16253	23016	21085	25445	21172	47071	31291	25885	22278	36966	23197	51472	25157	44227	17482	945	1002	937	19959	22490	1499	29683	30480	25979	23955	17315	952	14883	6331	14684	42755	8986	29883	39886	15616	16991	13344	12878	17182	18890	46170	0	19730	29106	26573	19707	12731	26473	24782	537	19247	59042	26438	44109	17972	15686	17593	16789	15290	44624	27519	30728	94472	31651	31688	70319	29067	26835	752	28509	27444	8767	8643	12762	38209	17651	23443	0	40964	10665	994	35372	20626	Peptide	0.23076923	0.9230769	0.15384616
18	C13 H12 O3 N2	245.09207	245.09233	0.026065627	245.09207	5815	5591	3566	2674	2408	4337	4498	6189	2470	3886	3839	3765	1719	3408	5011	10088	7473	2550	2375	0	0	6009	4005	7967	3689	1443	5418	3427	7139	3636	6177	6056	9884	5971	0	4064	12178	4947	9214	2732	5506	3787	602	734	836	1684	2537	994	6610	3339	5706	5013	2173	969	0	0	1744	8236	2007	5251	8421	2141	0	1500	1985	2656	4630	8313	2489	0	3744	5049	2776	2826	3130	6926	738	2613	9380	6314	7145	2639	2634	1454	0	2214	6523	7072	4845	29603	5684	11134	19578	3260	3637	1089	4209	4525	2031	0	1309	5201	6405	3254	2078	10081	0	633	8291	0	Peptide	0.23076923	0.9230769	0.15384616
2	C13 H12 O3 N2	245.09207	245.09251	0.09503462	245.09209	8679	10089	7556	9274	9848	0	6711	7274	12906	13111	17479	7589	12496	6326	9417	4918	12031	13212	16279	10050	17694	13259	9241	7557	5291	7004	3343	21398	9146	6668	8328	7204	13930	6914	16702	6752	8590	9112	12866	9081	11364	8859	755	346	575	7190	11993	704	8563	5264	8571	10211	9936	352	12588	7271	6850	8765	2898	5880	4688	5297	13601	9492	7490	11170	8950	17209	7473	11648	13512	8069	6614	4991	6717	7506	381	6119	10763	53689	7768	6651	3850	5338	11071	6926	10099	12819	9991	24578	5911	6533	20729	9596	8194	1036	9900	8928	6978	8792	7653	7419	9160	6020	6380	12389	4975	588	7957	14318	Peptide	0.23076923	0.9230769	0.15384616
6	C13 H12 O3 N2	245.09207	245.09245	-0.009523715	245.09207	26791	35787	31502	33035	16022	16510	23156	45162	15959	47630	39870	23369	14236	12886	29451	60471	36924	23780	28810	35127	47473	40079	27548	58653	32441	25971	25601	44222	35336	31411	31888	32735	41973	34098	50012	29276	40506	26636	61599	28186	48359	19599	854	560	711	31750	32970	656	46198	34859	34571	29867	20832	645	17925	9591	13121	46206	7605	24319	52877	17560	19798	14718	12963	20237	21974	56995	21972	33821	48102	33770	25179	21172	28318	27413	507	20265	36623	30724	29010	16323	13104	22107	14399	15723	37085	32032	26524	84604	30282	24875	76398	33024	45043	733	30187	35831	9597	12040	13176	45493	23653	24168	12075	49478	10261	717	34025	18893	Peptide	0.23076923	0.9230769	0.15384616
10	C13 H12 O3 N2	245.09207	245.0924	0.025498534	245.09207	31280	30758	26055	25859	15841	12749	25514	25199	14504	36777	32338	21839	10264	9626	21694	40300	34797	22440	27741	27660	44547	51437	25378	40893	28893	20476	27614	30503	22044	19780	22326	22191	37021	21200	34843	22251	30796	22310	46628	35661	53723	17390	1258	875	878	23019	24081	1069	26088	20595	33246	31849	18963	999	14578	8648	11374	37784	10843	25448	33243	18872	17261	17155	10427	19429	14723	47116	18215	25792	35390	23837	22114	10968	27079	22353	715	18244	35531	33609	34441	17890	17217	18476	13353	13562	43038	24655	23536	87972	29287	27417	66945	34502	52581	1176	28482	25760	11701	10888	12533	32436	18553	25343	0	32086	10131	1212	32111	17036	Peptide	0.23076923	0.9230769	0.15384616
22	C16 H13 O1 Na1	245.09369	245.09413	0.83152074	245.09389	0	0	0	0	0	0	0	21883	0	0	0	0	0	0	0	1754	0	0	0	0	0	0	0	0	0	0	0	0	1311	4712	2915	0	0	1378	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32453	0	0	0	545	0	0	0	0	0	0	1360	0	0	0	0	0	0	0	0	0	0	23104	0	2708	0	1386	0	2967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1334	0	0	0	0	0	0	0	Phytochemical	0.0625	0.8125	0.0
4	C10 H16 O3 N2 S1	245.09544	245.09587	0.09191018	245.09546	4094	4534	4354	4523	2361	1864	1289	2558	3818	1768	5695	1512	2718	2748	2929	3315	2426	3668	3930	0	947	3838	2990	3434	3554	0	1705	21363	1899	3819	1990	2162	2892	1789	1325	2271	2106	2707	3765	1274	946	2434	0	0	0	2187	1586	0	2127	5435	4853	4283	1968	0	4961	2636	1820	2470	822	1701	2028	0	1463	2006	1638	2768	1355	3509	0	0	0	1252	1324	2106	2105	2107	0	1673	3172	98344	2042	859	962	0	2492	4224	4231	2535	2102	5808	156445	75295	5827	15937	6112	0	4260	4957	3139	1383	1564	3985	1659	2314	0	2512	3225	0	2283	2986	Peptide	0.3	1.6	0.2
2	C10 H16 O3 N2 S1	245.09544	245.09589	0.11801637	245.09547	21770	22487	21635	20147	4047	0	4766	120209	3195	2380	6671	11920	4206	1025	22996	96258	7739	5846	12588	2235	3517	7466	31313	229068	8409	0	4669	1583	57576	17872	88003	22979	26201	23207	4520	41015	28804	15350	8231	3042	1923	5446	0	0	0	27357	2296	0	55112	43928	18244	21688	4447	0	2861	1577	3724	96617	1897	2198	97421	1066	3873	3455	4466	5608	7107	10804	0	6840	839	43538	15544	15738	7805	14988	0	12631	5860	0	16846	1286	1469	684	1564	2905	6490	6168	57897	10384	324933	164222	15182	1722	2131	0	19686	23408	2034	1309	1315	20986	15093	3257	1574	33017	2522	0	9221	4733	Peptide	0.3	1.6	0.2
14	C11 H16 O6	245.10196	245.10228	0.03572705	245.10197	39257	39603	37343	42020	102098	101951	34722	42938	114446	10557	17793	19095	157185	129588	53285	25423	32531	153110	121917	20505	14999	8751	36134	19593	44479	2343	29813	45276	79496	56122	47422	67282	82431	57888	23888	64790	72834	38292	33973	5075	4703	65231	4959	3637	4277	14314	6345	4814	43883	32191	41577	39964	85491	3802	128871	54567	37882	48606	16419	7354	29989	3778	105278	88248	55668	119019	89916	30931	0	5516	1821	37271	55545	81644	45114	52342	2837	38834	19727	15766	19192	8035	16182	9310	77468	54652	34305	47990	69244	17952	31202	37580	21578	9535	7332	5047	42631	45767	57869	95810	109355	72730	29899	25458	0	30129	77595	5078	20668	129327	Lipid	0.54545456	1.4545455	0.0
10	C11 H16 O6	245.10196	245.1023	0.003057315	245.10196	75085	75180	67854	67328	189588	117033	62924	56736	158847	33267	33798	44875	240485	153414	55781	62392	59312	218637	183602	44275	39235	27312	52334	31793	40315	11812	51235	59889	93827	75473	64041	92451	112055	87883	38259	91345	118611	50951	66709	17324	15557	100141	12700	4561	4910	25275	22560	6210	78128	51428	72244	72172	147853	7983	198198	115427	57206	84137	33443	27442	70897	9819	138098	128718	77668	200203	121978	60340	8465	14206	8366	68865	84785	100957	59235	72726	4307	47918	30773	48314	27390	23196	46987	22366	162091	100782	56516	74538	99852	23765	39899	45607	35098	27715	19641	6939	69461	73230	108389	171233	200300	108724	44685	45239	0	45501	167880	5462	32672	191229	Lipid	0.54545456	1.4545455	0.0
12	C11 H16 O6	245.10196	245.1023	0.009359793	245.10197	67003	67162	74695	76271	193447	167612	91916	88889	211837	27444	32708	45178	288240	206131	110098	58782	72552	298811	255787	42290	36985	19237	76900	27472	75364	6453	60613	55514	177576	79848	108925	118224	175184	125899	40854	113644	140017	75485	75135	14844	9403	128558	11315	4978	5880	22787	10941	6272	94721	61035	75699	71233	183003	6548	264103	103556	77385	92792	26926	22015	71383	8313	231958	162372	78896	284281	183850	58542	0	19098	8917	84751	120426	130467	49871	101487	3449	86272	27304	29099	30554	21968	41815	19095	131370	108477	54610	91130	145686	23713	54830	67606	37330	24354	17261	6786	79889	86174	110192	121919	157959	114950	64977	33979	0	58818	152677	6017	36280	283080	Lipid	0.54545456	1.4545455	0.0
16	C11 H16 O6	245.10196	245.10226	0.045167368	245.10197	36021	42199	34979	35879	25658	43180	40997	51570	29788	8344	10528	50779	41930	34049	42661	82073	128630	50947	46160	5282	4291	15158	42579	35802	27199	1301	40323	12757	73599	64491	67497	91000	69337	110435	9998	91455	65470	36694	146171	3300	4606	39490	5566	4007	5384	8137	2556	4570	99860	48418	34286	38364	41623	3739	33350	21216	21097	85047	7192	5536	63528	1163	25392	25945	22967	36483	59662	132258	0	2587	0	59127	98721	77753	130785	81785	4948	36973	40773	10664	25174	4606	11150	4490	21120	21502	64609	47445	56247	104751	10981	14008	39746	5677	2802	4982	41783	40761	21269	17807	27980	70338	35522	7529	3926	55656	24610	3877	44626	36383	Lipid	0.54545456	1.4545455	0.0
4	C11 H16 O6	245.10196	245.10239	-0.026064396	245.10196	14035	15763	11250	12773	33656	13795	9990	12806	43122	6094	6379	9171	27644	13587	8840	10577	17057	53990	48156	8911	7198	10624	11184	11449	5489	2990	8461	4625	14062	12372	11637	13775	17562	13350	9380	15075	15896	8744	18914	5317	5397	16564	2133	1461	2231	8492	6733	2031	13850	12288	15325	10635	16653	1762	48514	19786	23550	13871	8018	8209	12362	3427	52286	38076	11873	41294	27978	19523	3430	3049	2917	12977	13247	17781	7440	12527	1266	9654	9659	4999	7654	7066	8388	3881	48574	26654	6991	12904	17272	11051	8197	6680	12046	6219	5119	3913	11716	17049	16246	34559	37313	18023	8404	12926	6013	9840	38218	1920	6482	27837	Lipid	0.54545456	1.4545455	0.0
6	C11 H16 O6	245.10196	245.10231	-0.09411083	245.10194	31558	29904	27713	31662	53276	38904	28018	32107	59905	15039	17578	20407	100080	32237	25057	34761	35448	96537	78657	21798	21348	19638	21231	24513	14485	4038	22959	15802	41682	37176	28990	39784	53653	36389	21012	43316	54370	21531	42597	9163	11842	43724	3513	1466	2213	15446	16027	1433	34340	29818	33544	33263	47885	2190	73883	54031	27493	35427	15199	18093	41913	5632	76790	49772	25360	68474	44140	41048	5472	5252	5674	27330	38296	43664	22268	31713	1515	20609	17215	12641	14452	12302	25625	11998	63006	39264	21342	34284	45438	22410	15125	18813	24952	13196	10662	2185	35796	32233	35847	75167	100298	58421	21929	28812	0	26838	60496	1178	11710	182448	Lipid	0.54545456	1.4545455	0.0
10	C12 H12 O2 N4	245.1033	245.10362	-0.14049552	245.10327	3783	3346	6178	0	1570	1984	4628	6465	0	0	0	5788	0	0	5510	22993	17620	1266	2481	0	1656	15035	6191	11608	11557	0	8863	0	3564	6788	0	4955	4134	3048	0	4991	5838	5530	20944	0	0	3545	0	0	0	0	0	0	7670	6618	3693	4959	0	0	0	0	0	10124	0	0	13120	0	0	0	0	0	0	19506	0	0	1770	5380	3405	2068	14683	4796	0	3523	10981	0	8087	2814	0	0	0	3258	9537	6352	0	39086	0	0	27960	1914	1831	0	6000	4857	0	0	1704	6850	5093	0	0	12955	1248	0	19056	0	Peptide	0.16666667	1.0	0.33333334
4	C10 H16 O5 N2	245.1132	245.11365	0.08526164	245.11322	33403	31626	29291	29727	26717	23588	19582	28875	27471	8348	12407	22902	31766	11857	20933	33505	55170	41536	30141	11337	10362	22992	20956	29666	14167	812	18986	25242	27756	28121	28765	35949	32944	29352	14683	34667	36179	23595	63328	6879	8505	28999	1519	542	556	14381	11597	341	34767	29335	32170	25056	30604	682	32715	19719	20865	32250	14161	17036	28758	5123	31955	28368	19344	32447	19416	52946	1992	2589	2960	35313	29382	43065	19589	29901	367	21483	21240	76446	16327	10004	11525	3245	24155	25467	19668	33425	28443	42457	258225	108813	45526	14629	10666	1202	28555	34250	22050	20428	21460	34242	23410	16672	9964	31549	27955	571	16929	43899	Peptide	0.5	1.6	0.2
6	C10 H16 O5 N2	245.1132	245.11357	0.0351527	245.1132	28730	32862	28191	29571	19167	23998	16647	21541	23776	8399	14121	14887	24689	11956	20209	28844	33745	37306	33351	8320	8006	20870	18992	27658	13546	614	15132	56860	24839	17913	17473	21973	34092	24756	8438	21765	32001	17519	36104	3504	4661	19226	1444	448	471	9731	7905	7413	24465	16483	30799	32267	21415	912	31177	14186	14923	29011	13149	10193	23831	2682	21484	16290	15514	24529	18352	42744	1593	3076	0	20371	19212	19508	16048	16689	360	13884	14812	70954	13649	7972	7583	1870	17323	19518	24635	24686	21238	40191	694763	247743	44222	18117	10563	531	26120	24299	14051	12605	17625	31803	15822	11240	0	24999	18554	11812	14074	36094	Peptide	0.5	1.6	0.2
8	C10 H16 O5 N2	245.1132	245.11356	0.07505094	245.11322	22108	21897	18991	23150	15721	15828	11342	15410	15911	7363	12978	10771	19922	7775	16821	22478	21085	17840	18542	6623	5765	13073	12531	15304	12263	843	13210	64965	18563	12993	15263	18539	18503	17861	10099	14208	24173	14201	25293	3208	4459	12883	657	449	499	6387	4881	446	17813	14209	22155	23504	14975	665	23509	9189	8827	17741	5315	5447	15401	2203	17378	17531	9372	18670	13795	23170	0	1781	0	15581	15838	13635	13530	15818	390	10364	13201	66031	7933	6047	6239	1982	9168	10417	14520	15086	16845	26960	509260	211545	25814	13035	6876	608	22073	18464	9817	7946	10722	17777	12265	6916	0	16500	17486	392	8963	22057	Peptide	0.5	1.6	0.2
20	C10 H16 O5 N2	245.1132	245.11328	0.20101494	245.11325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1888	0	0	0	0	0	0	0	0	0	0	0	0	3695	0	0	0	1704	0	0	0	0	0	0	0	0	0	0	878	683	1371	0	0	1827	0	0	0	0	0	1166	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2392	0	0	0	0	1059	0	0	3422	0	0	0	0	0	0	0	0	0	1790	26087	5875	0	0	0	641	0	0	0	0	0	0	1293	0	0	0	0	1105	0	0	Peptide	0.5	1.6	0.2
12	C10 H16 O5 N2	245.1132	245.11353	0.15959758	245.11324	3006	4465	2683	3215	945	2501	2684	4863	1986	0	2054	2414	1130	2573	1967	3452	4360	1436	2269	0	0	0	2629	5836	3841	0	1685	14702	4191	4302	4271	3961	5726	3412	1388	3949	3786	3857	5235	0	0	2520	438	636	640	0	0	560	3471	2195	3212	4408	1657	520	2547	0	1674	6193	0	0	0	0	2228	1328	2491	2203	2862	0	0	0	0	3152	2679	1216	3495	3074	321	3985	1160	17052	3411	782	1120	0	1369	1767	2458	2954	3104	6266	75763	29677	5802	0	0	526	2552	2703	0	0	1878	4043	2280	0	0	2469	2170	446	3834	2726	Peptide	0.5	1.6	0.2
10	C10 H16 O5 N2	245.1132	245.11356	0.15848057	245.11324	13849	10389	7311	11055	7689	8408	5819	9951	7232	2932	5738	6379	6098	6081	10479	13414	8103	7015	9342	2330	2928	5463	7220	15936	6518	0	6020	32492	5732	8417	7136	9777	11523	10020	3737	6045	8655	6826	10595	2217	1377	5506	528	697	383	4033	1559	601	7499	7854	10340	11849	5620	749	5790	3340	3787	11117	4212	2975	10777	1504	5800	6910	5215	7265	5497	13852	0	0	0	10470	10572	8172	11244	8357	0	4088	9607	40664	5600	3228	2875	0	4187	4892	7611	6684	6970	14159	236300	74166	16510	6846	3885	627	11568	9729	4703	3525	3200	9859	6097	3797	0	9417	4681	536	7971	9453	Peptide	0.5	1.6	0.2
14	C10 H16 O5 N2	245.1132	245.11348	0.173369	245.11324	4237	2049	0	3442	0	2413	0	2792	1361	0	0	1385	1755	0	1518	0	2201	0	0	0	0	0	1029	5469	1287	0	1962	12117	1445	1674	1622	0	1886	2885	0	0	1928	1689	1952	0	0	0	0	609	743	0	0	579	0	0	2026	1507	1504	373	0	0	1582	2949	0	0	0	0	0	0	0	2176	1052	3570	0	0	0	2214	0	1501	2950	1305	445	0	1566	0	1506	0	1068	0	1397	0	1896	1503	0	0	61579	16191	0	0	0	990	2850	2962	2505	1320	0	0	2426	0	0	0	0	539	0	0	Peptide	0.5	1.6	0.2
18	C10 H16 O5 N2	245.1132	245.1134	0.37274238	245.1133	0	0	0	0	0	0	1168	0	0	0	2129	0	0	1284	1912	2610	0	0	0	0	0	0	0	0	0	0	0	13168	0	1389	0	0	0	0	0	0	0	0	1819	0	0	0	601	768	749	0	0	1042	0	0	0	0	1282	573	0	0	934	2110	0	0	0	0	0	0	0	0	0	1844	0	0	0	1332	0	0	0	0	680	0	0	3220	0	0	0	0	0	0	0	1161	0	0	27052	4640	0	0	0	1022	0	0	0	0	0	0	0	0	0	0	0	805	0	0	Peptide	0.5	1.6	0.2
2	C10 H16 O5 N2	245.1132	245.11365	0.04536965	245.1132	49817	48444	42841	41568	74466	130604	16672	40354	47738	12012	21771	25438	102372	35126	23641	11522	35858	109243	74914	9928	14294	35745	29393	39830	12059	849	5154	431413	52644	25291	51269	42658	80430	63679	18539	39110	66906	22138	38244	8206	4096	47550	1152	0	369	12552	5557	0	49696	20643	42330	48772	70606	579	57487	26936	24713	63692	9430	8547	16678	2301	106224	48868	28360	114053	66319	45521	1535	6070	2731	56822	54397	30299	5785	33634	0	22012	19815	165006	14968	5761	6421	1955	34368	27640	22700	81618	71976	48642	167337	140115	67872	25545	3431	813	45374	42839	32946	30614	30260	41695	26697	14471	6469	56312	29498	0	18211	159105	Peptide	0.5	1.6	0.2
0	C10 H16 O5 N2	245.1132	245.11366	-0.05227383	245.11319	109642	106068	100082	93813	94579	25530689	4304	92564	161948	16509	17964	30454	105615	81476	35231	5656	37175	126897	108544	11854	25540	74233	42986	51299	76462	921	0	34876	144063	23165	111037	59034	264120	110560	34043	61185	91271	20817	33972	10698	1244	1321735	0	385	630	19279	1686	695	72497	25247	77444	100562	88792	1853	40488	24533	10568	230908	5943	2131	19914	1202	115760	44720	25135	89343	132927	102217	1112	11259	2693	76955	109753	43532	0	75428	518	70898	10026	49385	9040	2425	1905	0	12661	10985	19736	55340	102520	44705	807198	322030	70468	25114	2405	1062	95489	103201	44474	11406	10801	106731	53026	14292	2354	99481	39133	581	29324	196082	Peptide	0.5	1.6	0.2
16	C10 H16 O5 N2	245.1132	245.11337	0.11886384	245.11322	0	2122	0	0	0	1864	1340	0	0	0	0	1073	0	0	1352	1759	0	0	0	0	0	0	1788	0	0	0	0	10991	0	0	0	0	0	1708	0	0	2088	0	0	0	0	0	544	506	1272	0	0	926	1677	0	1753	0	0	533	0	0	0	0	0	0	0	0	0	0	0	0	0	2092	0	0	0	0	0	0	0	1931	608	0	0	6575	1150	0	0	0	0	0	0	1458	1125	0	41744	13365	0	1235	0	765	0	0	0	0	0	1648	1660	0	0	0	0	881	1884	0	Peptide	0.5	1.6	0.2
0	C13 H17 O3 Na1	245.11482	245.11528	0.18243141	245.11485	2317	0	0	0	1755	134185	0	0	0	1262	1988	0	0	0	0	0	0	0	0	0	0	1953	0	2205	1698	0	1830	1186	0	0	0	0	0	1840	0	0	1849	1143	0	2112	1646	0	0	414	0	1576	1888	454	0	0	0	2320	0	429	446	514	0	2530	593	738	1818	0	0	0	815	0	0	2686	695	0	0	2128	2550	0	0	2099	0	1503	0	3984	1323	798	0	0	0	0	0	2510	0	0	3270	1939	0	1806	0	0	0	2352	647	0	0	2740	3281	0	1057	0	0	619	0	0	Phytochemical	0.23076923	1.3076923	0.0
14	C15 H16 O3	245.11722	245.11754	-0.015354498	245.11722	599455	605501	520524	577744	548776	359703	508562	559881	481836	513689	447872	386062	557062	338487	445058	633595	654760	585019	594802	767548	769643	625489	487741	571250	430534	850476	508366	428011	488097	490752	439374	583384	659852	447566	614678	505881	578693	412791	708084	584402	644014	405876	37369	22694	22637	408632	468780	33335	611848	447954	580242	531961	493842	21097	544212	456565	385804	765886	386208	507676	603506	331407	551645	469755	312059	529797	408015	647462	610462	824012	968702	413781	428650	447191	534346	565502	19182	392167	640455	411756	552660	395900	534389	502799	568096	355769	707512	428301	491868	943179	609875	494055	829842	385963	537818	34982	564537	549627	436503	750281	750698	566137	422210	589513	298392	544106	455826	22380	505563	464786	Phytochemical	0.2	1.0666667	0.0
24	C15 H16 O3	245.11722	245.11748	0.034928277	245.11723	147590	148178	116821	136841	177879	121154	87102	137705	139292	120331	93543	102393	206326	133400	124250	162504	140443	198405	217835	167214	155034	132323	132556	170229	118340	108873	73979	125203	137786	133215	117951	147822	169414	122071	156148	144032	187280	98279	130536	119842	97264	108221	30056	18942	32417	99364	84120	25428	144015	136810	127878	142011	142133	22049	150776	150060	100363	186411	91165	72697	176664	68629	156687	124504	77314	184843	122915	140104	97575	127456	136752	125154	118166	119342	95830	140208	27300	109290	153688	89405	136886	82052	82612	93575	144312	100399	148710	112629	135133	155091	156168	124982	211473	83993	118536	26818	133424	141160	126541	182954	188102	161068	97208	140829	71522	152320	113149	23072	121425	170084	Phytochemical	0.2	1.0666667	0.0
22	C15 H16 O3	245.11722	245.11748	0.003742506	245.11722	305504	333463	245579	300732	472582	333274	199238	329338	374029	317391	254836	211705	355226	317077	292071	348324	260944	472285	370709	393927	384316	350384	276989	358193	317791	207104	209925	308803	348902	280025	282918	299651	404831	319683	339856	319398	439063	251400	261419	268082	238893	300743	43320	25779	28835	241835	209766	36678	317657	260589	329235	314149	367456	23756	377990	309612	237742	381663	221492	180534	365794	181834	369681	308369	192166	452383	394406	253991	173029	268011	228360	280796	234203	245152	182215	303438	24553	218791	324708	231439	249089	201802	208565	183102	339860	258222	352930	309296	331863	390817	400322	360899	452978	213062	299348	39557	258409	314488	376203	397172	368631	399240	240070	311652	198324	320870	299449	31769	286937	412607	Phytochemical	0.2	1.0666667	0.0
8	C15 H16 O3	245.11722	245.11758	0.021669075	245.11723	117941	121568	69512	106858	79540	53843	97520	117200	98452	79718	67716	89817	82985	57677	98071	123517	125486	78755	109041	110054	104290	137109	102420	129147	74363	110812	93307	61139	96896	106311	84807	108832	106330	79109	124583	96592	93890	94633	144527	100442	101790	74603	24663	18917	25563	108540	111540	27631	114475	99519	98586	113283	77056	18483	116062	99705	79151	116457	89928	104967	117054	65049	84253	89235	58992	76318	63141	134470	100904	108425	150255	82290	87967	93921	87547	122168	21961	76851	145225	67616	130294	116228	113192	77224	102934	64523	129983	63782	84719	169087	74077	103153	146042	81352	96762	26715	108183	118104	83966	167102	158479	108836	97564	122207	65286	96773	85880	17604	106610	82893	Phytochemical	0.2	1.0666667	0.0
12	C15 H16 O3	245.11722	245.11755	-0.0179617	245.11722	386385	468236	393248	420548	330889	202389	342920	390685	301802	315481	276408	233440	257131	177732	272449	589189	435529	339026	417813	441861	465773	495492	310704	421693	278298	522302	404744	244761	354587	332098	324386	398527	423413	314153	402533	317251	375135	302221	501579	355311	433904	267233	27353	23355	24543	293733	331033	32961	446082	342406	424429	449394	320327	18524	376555	291129	258391	484813	272935	355121	478314	221197	369030	291660	190058	340441	244496	472381	455941	571221	669629	273840	314853	297413	440912	402761	17402	263622	418139	244818	383301	311171	354652	292697	370302	237652	439645	238783	294441	634664	371462	395411	502559	233945	400586	32435	418532	410683	297394	425374	452799	397665	290144	370191	180953	357047	300677	22822	313155	340847	Phytochemical	0.2	1.0666667	0.0
10	C15 H16 O3	245.11722	245.11755	0.009942745	245.11722	246121	221799	185626	193721	171821	113380	180493	228688	176319	185499	146105	163547	177544	100820	173977	281403	244964	187355	231638	257641	237765	255437	188200	248638	162452	306158	204842	123754	200899	203189	183225	217016	236962	151723	216205	200857	203501	175368	283071	203020	221288	143341	32184	21794	27412	193570	190999	33872	215541	198666	220620	231659	153646	21235	219771	187049	121798	285526	155821	199812	258042	122927	168611	166556	92249	174197	127256	279379	264950	311323	354933	150441	160203	174149	227144	216131	22225	133214	264913	123042	245782	178654	206188	146219	219122	141715	287939	135306	158079	340566	198485	193792	272942	155209	226999	31814	208127	220713	164505	289778	297633	215607	167389	243852	131163	187726	176188	24692	190969	170286	Phytochemical	0.2	1.0666667	0.0
18	C12 H20 O3 S1	245.12059	245.12076	-0.2131732	245.12054	742537	773389	660146	635610	750342	568529	543598	702528	502978	801396	656155	441662	807218	536644	565383	883076	722946	882129	999140	1057022	905577	833785	583333	786955	510561	629503	567378	634031	663832	577052	567807	650199	881420	639447	820675	597297	913441	498696	740643	697145	669841	606830	46480	21568	28670	513263	478662	32801	724074	563254	725345	731675	656149	23278	709669	558257	474529	931744	435927	497586	803320	455385	749480	566435	392577	840273	730134	764607	525273	716361	741433	548415	490460	520923	630719	683677	21874	411490	700961	608068	563922	440000	481477	478313	684486	523152	777201	660134	690693	1004735	887762	855384	1050764	517687	784679	37614	700415	684136	538002	747595	773081	831995	460755	662974	273241	615073	477145	23634	613493	681488	Organosulfur	0.25	1.6666666	0.0
20	C12 H20 O3 S1	245.12059	245.12076	-0.07663227	245.12057	532893	605507	514733	453046	762801	501433	379840	533904	474884	606527	454584	349666	677443	515770	481194	673491	500048	707226	768768	757702	740321	608110	414447	567054	438908	384640	385068	456184	538627	436248	402494	498719	689163	495363	643986	483566	725735	371991	466946	489319	469341	493594	54093	28959	26598	403885	400027	36184	505416	393696	538207	539066	557743	27109	528030	471281	379977	701774	374022	381900	575829	307846	592404	469311	310506	707330	555449	506013	292383	444989	455569	461275	443227	412765	470020	512168	23668	338607	524014	507445	389848	295337	374448	366627	507978	380715	577032	515892	504324	682814	740871	616389	776321	463641	494396	40881	518257	537024	470127	622410	675083	650302	390783	567039	314987	540215	465261	33065	460782	683416	Organosulfur	0.25	1.6666666	0.0
16	C12 H20 O3 S1	245.12059	245.12086	-0.043332566	245.12057	646087	727202	643709	622650	712462	496375	567432	627744	559279	731760	564588	462765	693370	481014	559020	809481	741006	782863	900754	987820	918075	700854	584013	695040	511487	819903	545873	466004	616310	609874	613283	715571	799421	563924	832759	646427	769364	495249	830976	695181	694472	509593	42331	24870	28134	467378	510516	35312	771038	595731	727336	714729	655750	23500	613808	572414	456574	884874	415975	507004	727769	410705	674468	539861	337151	750403	599690	729602	641849	876339	930094	554695	618867	565766	696292	716814	24360	394761	713870	541101	511028	454086	546779	580892	686151	445644	766885	575476	602994	1026066	712455	697437	901364	502447	691795	37186	641559	692022	501402	736633	885819	771582	407106	572398	253130	623755	545325	24694	580745	673556	Organosulfur	0.25	1.6666666	0.0
16	C14 H16 O2 N2	245.12845	245.12872	-0.027584283	245.12845	10947	14336	15531	10989	5718	5650	13353	6810	4926	7722	14163	10309	2885	4920	6335	26012	23069	2713	6024	15632	10115	20544	9170	24700	9177	14780	13915	19866	12710	12711	14363	10987	21666	10882	10973	15000	22772	7284	27698	14903	31001	10195	664	0	315	9109	14412	402	21531	13910	11194	9863	6767	546	0	0	5166	16319	3901	10589	17949	10220	6321	2668	3666	10326	12662	24781	10756	14237	19015	12038	11722	10881	13837	15271	0	9395	14012	21205	11385	7739	8498	18671	4188	4558	18647	12529	9708	41310	25235	18892	0	18737	15773	672	13719	11925	2306	1397	4249	14357	9200	14141	5402	25564	3223	333	18772	5550	Peptide	0.14285715	1.1428572	0.14285715
18	C14 H16 O2 N2	245.12845	245.12874	0.037104897	245.12846	11548	12332	7276	10397	1184	3843	8513	18057	2433	4339	7426	6619	2141	1254	6121	12555	14480	4098	4041	5800	5360	15354	9053	26481	12621	5956	11105	9027	18560	13986	17065	24401	20183	29559	4425	18185	24460	6911	18300	6571	13237	7746	346	441	647	5421	6939	502	27645	17357	11208	11961	6437	583	1905	1471	3057	19752	2934	7439	20856	2142	0	0	3868	1806	6920	19777	3781	4643	10673	25627	25900	14027	15147	16721	283	10824	12167	10417	7306	4609	3630	5327	0	5291	10788	12924	12159	21999	15981	11562	28887	6877	7728	696	8604	7671	0	0	1372	18696	7668	10571	2238	23034	1780	360	10407	0	Peptide	0.14285715	1.1428572	0.14285715
20	C14 H16 O2 N2	245.12845	245.12874	0.047145084	245.12846	31059	37167	33867	30061	19649	15262	32896	59651	7611	4407	4734	31529	3829	17093	25968	158449	144486	21759	40229	2555	3928	27100	18274	129726	32225	0	42472	5983	53813	43820	44992	59076	98524	61532	3559	46344	80915	20712	156758	2991	6242	49804	1429	0	352	15305	2796	473	67570	46792	35830	34286	31118	628	4958	4334	11955	117116	1645	6073	100686	0	5502	7234	14062	15596	36007	164169	1645	3017	4501	41833	31255	11235	65174	39670	0	25354	24642	9886	15053	4659	1962	0	6664	10849	40927	89256	77957	201129	12233	6436	131438	4211	2089	1917	33390	33453	8937	9440	5962	105335	26977	4552	3095	215724	8283	623	61695	4422	Peptide	0.14285715	1.1428572	0.14285715
2	C14 H16 O2 N2	245.12845	245.12888	-0.011645166	245.12845	22424	25555	19420	19208	7353	0	17489	46520	3784	29839	17020	21060	4124	6974	19918	36072	36580	8331	11960	31196	33630	20738	18096	41129	21901	18180	15002	23851	46147	43448	40242	39938	32890	34330	27323	46102	34858	17522	32066	21687	19144	13192	556	368	337	15350	18535	428	48651	39556	23301	20200	10546	278	5838	2429	5556	36985	2295	7340	31698	8944	4360	5493	5831	7363	14882	41593	11636	20854	20926	39752	44713	41774	43122	44243	0	22103	20092	18743	15866	7618	7496	19755	2985	6841	16911	15780	15120	38694	21023	12006	45888	13818	19567	1006	22862	24165	3047	1949	2081	32219	21167	21185	9031	40445	2290	361	18966	4117	Peptide	0.14285715	1.1428572	0.14285715
14	C14 H16 O2 N2	245.12845	245.12877	-0.023766633	245.12845	31476	37973	30330	36510	9745	8214	29529	46185	4384	33782	24388	29018	3137	7936	21255	46797	47794	8527	11510	36641	36468	55717	22733	52314	25636	29540	33497	31507	34240	34557	39069	47101	41773	46078	26843	37423	40671	23818	52825	46298	68356	20447	0	474	462	28260	33951	990	55893	32363	38001	29221	16236	843	4320	2581	12018	51680	11910	29230	47953	20679	4154	3548	9863	17766	15795	56626	18289	29360	51352	40883	41032	30798	36259	41195	256	28705	36026	32932	25382	17379	24772	33264	3588	7921	35955	31816	26841	112832	64403	45184	69814	32054	50184	2203	35024	32885	7478	4452	4145	35589	31079	38738	0	57366	4721	588	38964	5614	Peptide	0.14285715	1.1428572	0.14285715
8	C14 H16 O2 N2	245.12845	245.1288	-0.06028992	245.12843	65268	75684	55869	69654	31268	40292	46825	82121	16717	83402	80491	45110	12889	25200	71058	119130	114078	26692	39778	102175	99073	41262	43662	119928	54236	58467	73599	87982	73671	66897	84917	87137	116070	85522	84678	63820	122603	126325	129992	56075	49635	64594	842	360	333	46918	47128	423	120003	70180	58425	73211	46303	589	18309	8124	23959	107951	5558	14702	101067	22503	11428	16551	19212	24134	58130	157884	33797	63433	73042	73115	53262	34262	91102	65806	0	47608	62980	63240	50886	12629	9417	51128	8922	13903	66161	84598	88171	203438	89978	18323	145882	43987	72165	812	67135	61986	14455	6695	8750	105120	48014	26678	11342	103998	13312	329	57276	11365	Peptide	0.14285715	1.1428572	0.14285715
4	C14 H16 O2 N2	245.12845	245.12886	-0.05351474	245.12845	134573	150398	133231	140929	82227	81898	92030	231927	49909	75418	54643	136365	21994	25849	107566	285101	286340	80656	86065	91324	90673	143773	136495	266870	168074	38256	146583	74718	111688	164425	160861	157863	229963	155895	99479	164936	247065	125431	315420	36153	27619	88623	1822	350	286	76245	42556	606	195332	198911	137239	131393	107441	450	46854	8154	50173	235888	2654	9497	239745	17664	14738	41655	30915	47553	85126	286333	30264	68535	68621	164493	106036	110903	237412	159781	240	113416	171510	72013	149854	18465	9397	31841	21105	53094	172230	148703	102044	442920	41097	10924	441788	37237	61429	1333	143748	153557	45866	12909	17130	259775	131739	45272	21426	284320	56207	487	198365	38817	Peptide	0.14285715	1.1428572	0.14285715
12	C14 H16 O2 N2	245.12845	245.12877	-0.035868216	245.12845	49312	56782	52040	60314	7989	11087	54119	49635	4430	38480	56659	40414	5865	7587	36473	75571	111902	11161	14055	36084	49110	42335	40965	89260	44158	35022	69952	108775	36111	43299	48430	43526	64780	52892	35282	39533	73621	51854	119331	27934	63294	29926	627	782	443	32294	30261	672	67945	47816	51595	53847	19949	627	7329	1990	13953	60720	9483	38918	61288	13999	3660	4751	12699	10350	22863	151381	22068	36186	62769	40450	28163	24050	51966	37612	443	28942	46844	129748	60490	21883	16092	29727	5147	10691	52220	48910	33846	195041	1025755	416365	97444	67115	83073	737	60050	61728	6277	3221	4626	66350	36535	22178	0	75307	5263	525	53090	4187	Peptide	0.14285715	1.1428572	0.14285715
2	C7 H16 O2 N8	245.1469	245.14691	-0.95025694	245.14667	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8465	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21481	0	0	0	0	0	0	0	0	0	0	25489	3542	0	4246	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.2857143	2.2857144	1.1428572
4	C11 H20 O4 N2	245.14958	245.15	-0.02532633	245.14958	12961	13806	12026	11736	11631	11628	6907	12156	7297	4671	4146	7556	14464	6199	5999	19418	23116	21218	11985	4219	3466	14040	8527	15504	6669	375	7459	6331	9195	7746	9990	11769	14297	11537	5114	11306	15400	7233	26716	4236	7057	8055	0	0	0	6770	6930	0	15354	9991	12094	11674	8951	0	8688	5705	3991	16630	6009	8037	17370	2105	9551	6640	5194	13608	8592	21604	0	0	0	8541	8343	8761	9079	9321	0	6946	11004	8193	7312	3296	5653	1723	8892	7106	11819	9973	11474	27133	65656	168171	25976	5829	4426	0	12353	12758	9280	7331	7670	10473	5438	7406	0	17248	10078	0	9573	17370	Peptide	0.36363637	1.8181819	0.18181819
8	C11 H20 O4 N2	245.14958	245.14992	-0.04282947	245.14957	6094	4517	5734	8130	4866	4139	6805	10190	2692	2977	2293	2638	4426	3404	6461	10626	7923	3837	5072	2405	0	4296	5935	8940	8594	0	5056	5422	9209	8618	7310	6348	7303	6363	3575	7522	5900	5021	8542	0	1206	4282	797	0	0	3028	0	0	8525	12638	6095	6951	4833	707	4326	2577	2696	11059	1178	3834	8338	0	3612	3485	2529	6164	5309	10903	0	0	0	9140	5267	6303	4544	5744	0	4510	6902	17765	3207	2728	2818	0	3170	3759	16079	5580	4408	13690	51106	40177	13259	4643	4378	0	4555	5891	2774	2064	6148	4677	4651	2561	0	7197	3816	0	6165	3579	Peptide	0.36363637	1.8181819	0.18181819
6	C11 H20 O4 N2	245.14958	245.14995	-0.006428443	245.14958	18565	19380	19282	19564	14773	29985	11550	19021	22409	16608	18321	8461	13398	14168	16425	27443	17073	53535	72420	5790	4499	10144	19039	26809	13069	0	11186	50891	24779	18033	24577	28324	21442	30479	6724	20196	21351	12993	20102	0	25566	17362	24257	0	0	7334	5246	0	26201	23555	21261	20356	21661	0	12242	5975	8539	22705	4771	49507	21931	0	9989	9877	26233	42048	28066	23119	0	1555	0	32650	19552	20479	8993	13492	0	9094	9257	8815	9254	10931	5774	0	8291	42879	17298	12600	29334	21226	110524	227075	27286	5516	3909	0	18825	19987	11295	4979	8138	17166	9314	9404	0	21284	9543	0	11559	17360	Peptide	0.36363637	1.8181819	0.18181819
2	C11 H20 O4 N2	245.14958	245.15001	-0.0228091	245.14958	60461	63687	56197	53710	53732	76150	12381	70819	41961	15251	38566	19260	66147	25202	18312	31333	26237	61803	63562	16078	10243	44566	20217	78430	34828	358	10660	122627	65085	68563	64115	70027	82267	64851	20045	63497	76406	16272	31507	6359	4254	75488	380	0	0	17631	5131	0	109870	60190	59767	58429	50202	248	41253	17475	14637	109881	7008	7006	39732	2632	49290	30984	12235	72401	59300	38220	755	4565	2692	81655	70771	52386	13966	57895	0	20120	14092	85220	11487	3850	6251	1363	20911	19385	23617	38100	68046	66330	339102	188739	88981	28121	7935	0	53902	53986	22251	20311	21230	64039	17557	25460	4854	75081	30108	0	15220	85957	Peptide	0.36363637	1.8181819	0.18181819
14	C16 H20 O2	245.15361	245.15392	-0.029308973	245.1536	153952	167863	158243	161255	104284	81167	181307	170657	90888	94002	86987	124409	76571	79764	131482	221763	257236	111462	127382	144482	152736	179022	130944	170034	128840	190273	197843	94783	144229	158393	146491	177139	177662	127502	122205	163449	155812	128562	293699	129389	150343	109166	9537	6679	5501	114263	143688	9110	196954	154010	149930	143463	100738	6077	99083	92791	88762	232172	116837	155849	188418	77734	95184	96983	86964	101993	94788	297367	129719	156735	231371	104370	129328	161981	216979	172406	4841	100280	188130	102482	151505	112228	175337	141548	129087	91835	221589	105754	127021	398439	188456	156695	220937	98556	136773	8802	154296	148931	99969	148133	147969	160012	122136	161559	58530	173591	102070	6735	163416	76165	Phytochemical	0.125	1.25	0.0
28	C16 H20 O2	245.15361	245.15388	0.005819381	245.15361	39530	35042	30041	30171	36847	23803	35422	42289	29452	28394	22347	25617	32097	34736	33903	46778	40237	33609	45033	36568	33162	43651	34453	39358	34071	35295	35327	29322	44566	51533	40051	53302	57965	37388	36644	54201	44920	33002	43345	27156	27417	37583	9527	7652	11780	28490	25044	10781	43485	41277	36936	34555	34403	11919	37581	29692	24994	59892	25172	21870	50501	19897	27532	27019	22015	37698	35678	45385	26840	34408	33391	30122	35033	44314	33640	45156	9384	27910	36995	45368	30584	26156	32926	23732	35570	22742	54707	25644	32514	56438	56654	48874	59627	55025	29531	9839	38199	32630	33949	43468	44273	56103	33711	34432	21267	44697	32048	9579	34405	25642	Phytochemical	0.125	1.25	0.0
12	C16 H20 O2	245.15361	245.15393	-0.012300362	245.15361	81208	100588	79213	82258	35739	30193	86229	86324	44118	46537	45192	49059	28585	31811	60489	120042	117930	35648	56494	67126	62003	100034	67385	92980	57278	55434	104204	36299	66284	82318	67557	89837	77725	64074	52522	78722	73041	69808	121156	54837	70919	44286	7227	6786	6058	56464	75199	8475	98064	86536	88935	90652	44449	4719	48190	37992	42782	103678	50910	80743	100060	41462	40350	35450	33506	32762	37174	111238	47471	58239	87049	51824	63147	87176	124805	94535	4124	54081	78445	40695	70748	57407	79231	50049	49698	35899	88739	35530	48613	175826	86182	81840	112373	44947	79455	7930	88233	80799	47159	60301	62292	87292	60685	72839	41864	79239	45428	5465	69881	34736	Phytochemical	0.125	1.25	0.0
10	C16 H20 O2	245.15361	245.15393	-0.022259679	245.1536	32677	36868	32537	26060	14019	19619	36195	41223	17399	18543	20495	27133	14898	17612	30150	43115	39931	18044	22782	30398	26920	37689	23814	38244	30732	27808	33935	20047	31795	33358	30097	34098	35496	25848	28681	37213	30581	26424	49933	26854	24039	21968	9765	7869	7447	30265	29174	9639	30068	34051	31128	34937	18998	6231	22743	19915	17979	43219	25783	38596	35500	14601	13813	14127	12623	19485	15040	57652	22667	22531	28503	25801	25213	38042	37368	36058	5494	22377	34778	25064	37813	31492	36405	17440	25412	19478	37452	14844	21565	64463	32026	29702	42107	19043	29563	8221	28479	34609	19501	26217	24409	30982	30150	33724	14737	28916	19386	6328	35029	14035	Phytochemical	0.125	1.25	0.0
26	C16 H20 O2	245.15361	245.1539	0.025882399	245.15361	126882	129097	123185	109728	129442	87459	100562	152186	99294	86828	92809	105123	101267	107926	128833	174533	148151	129519	179179	146765	123763	140878	98543	126224	140408	89562	99965	110922	167409	159636	134884	173005	183163	122293	119652	192276	189019	121392	163699	104247	82939	184209	17998	14645	12859	88318	64634	15413	162220	121609	132237	123090	113631	12098	123665	95555	89951	216836	93010	71761	191864	57486	102440	90471	66216	112070	123990	164781	73167	97142	84038	97617	125179	156774	114995	170509	11569	121659	137640	145571	93764	85351	104608	78926	125017	92341	199434	98592	112003	227240	180269	153580	219791	126210	131595	16685	119618	132136	92558	129947	130175	216197	107375	127082	68290	128981	90210	13474	143319	98881	Phytochemical	0.125	1.25	0.0
0	C15 H20 O1 N2	245.16484	245.16518	-0.32426134	245.16476	3141	1929	4406	2240	0	0	13174	4775	0	2585	2831	6751	0	0	6950	0	21355	0	927	3522	5937	0	4923	2779	0	639	0	9249	8801	3136	7316	2677	30983	14781	2129	10782	14711	6586	23184	2994	3681	0	0	0	0	0	0	0	3616	4494	3669	2269	0	0	0	0	0	5285	0	957	0	2343	0	0	2053	0	2014	21392	605	0	0	4039	6834	3645	0	4157	0	7564	15466	29617	10781	600	1688	2754	0	1484	8852	4792	4215	4956	8847	3291	7103	2980	0	0	3940	4987	0	0	0	0	4729	2043	0	4800	0	0	8937	0	Unclassified	0.06666667	1.3333334	0.13333334
6	C15 H20 O1 N2	245.16484	245.16522	0.040552255	245.16486	6635	5892	7082	5939	771	1476	2970	7698	0	8127	6291	3314	0	892	3755	11845	5452	735	1393	11439	12380	4092	6296	19650	10095	4006	3171	12720	5037	7246	6410	7255	6860	6585	11437	5191	5760	3847	6760	3772	1027	3010	0	0	0	6345	4887	0	8824	6522	5430	6109	1020	0	0	0	991	11402	0	0	13691	1873	0	0	703	799	2714	9457	2332	3037	4096	6771	7008	4966	8768	6079	0	2949	8497	9782	9878	0	0	4743	0	0	4428	3535	2933	31634	8900	0	31663	6338	12059	0	6578	5034	480	0	0	6566	3763	2609	0	16132	0	0	10062	0	Unclassified	0.06666667	1.3333334	0.13333334
20	C15 H20 O1 N2	245.16484	245.16512	-0.002243207	245.16484	0	0	0	0	0	0	0	0	0	0	9414	0	0	0	0	0	0	0	0	0	0	0	0	2420	0	1398	0	79055	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2038	0	0	1828	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1784	2065	0	0	0	0	0	0	2822	0	0	11914	0	2081	5948	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.06666667	1.3333334	0.13333334
4	C15 H20 O1 N2	245.16484	245.16527	0.00371255	245.16484	7884	8996	6721	6502	733	1949	3004	11579	259	10042	6422	5222	0	632	4150	13019	9739	1155	2375	11612	14834	4352	4149	21065	7679	3212	4674	12101	6545	6934	7112	9382	9200	7173	10866	10627	7854	4082	10729	6526	3722	2662	0	0	0	4678	5705	0	11075	8163	8042	5786	1673	0	367	0	1025	11664	0	0	11021	3184	436	0	0	1087	2458	11631	1606	3110	4351	9201	9648	9401	16537	9671	0	5038	6788	14755	5927	0	231	5126	0	675	5510	3352	3710	19883	10274	0	22641	6459	11126	0	7558	7030	0	0	0	6820	4733	4013	0	12126	0	0	5756	0	Unclassified	0.06666667	1.3333334	0.13333334
2	C15 H20 O1 N2	245.16484	245.16525	-0.046084374	245.16483	17768	18618	16464	15176	0	0	11076	32366	447	13268	6342	13079	0	715	13013	31667	24441	1373	4648	20542	15728	8377	12985	37894	22777	1843	18107	12466	27434	28172	28754	40799	38445	34009	12867	38216	48452	12258	27594	13503	8945	5686	0	0	0	8142	7397	0	43578	30291	15593	17800	2955	0	799	0	2199	36122	0	579	31201	5518	0	964	0	2313	5903	43198	1144	2861	3955	28790	30650	41441	34431	27690	0	17056	11847	35362	17521	1338	2925	10224	659	1381	11187	7225	7657	30759	18788	4918	31238	8058	13919	0	14929	15346	0	0	0	47348	12056	19161	2977	23305	0	0	13528	446	Unclassified	0.06666667	1.3333334	0.13333334
20	C13 H24 O4	245.17473	245.17496	-0.01982888	245.17473	4266	7470	5743	4521	12877	9073	10166	2019	0	16293	4060	0	13176	18421	0	2131	4767	0	0	0	0	1494	0	0	0	2400	13709	20686	3310	9482	2301	7446	7267	3585	0	13344	0	0	6612	4382	3252	8677	36369	2034	2352	3782	5085	2103	11751	13567	5859	5964	1770	40092	0	0	1429	4465	0	6735	2480	0	5027	1336	4498	20460	3234	9702	0	0	0	14809	11478	4904	5499	7008	3637	0	1351	240766	0	4579	10256	7998	0	2525	0	4292	4079	6444	134164	53941	6188	8396	7678	7551	5763	9035	1198	0	0	4675	1028	1592	9790	6704	0	2333	0	18897	Lipid	0.30769232	1.8461539	0.0
24	C13 H24 O4	245.17473	245.175	0.01920968	245.17474	15012	13978	16107	16965	10560	15071	64970	17734	5079	10068	27536	4284	16125	49138	10082	4139	5633	2666	2767	2493	5788	2384	2681	5081	5047	12464	62547	262121	10964	16388	7088	13246	16923	6937	6183	19875	3545	8126	3759	6719	2165	27129	78416	5468	13529	9734	4221	5605	13375	14598	16058	13008	8446	76228	6855	2319	7109	5469	8278	4635	8264	5859	5753	8582	37922	11049	6637	4770	6193	3739	7549	15205	8827	8071	3553	11745	10475	3768	1976	429095	2542	37263	35969	39822	5383	14759	5024	9933	8076	0	101362	82141	7580	41868	5602	9515	15187	23244	9362	1631	5983	10454	5453	12941	12168	12867	3789	4875	2756	13295	Lipid	0.30769232	1.8461539	0.0
4	C12 H24 O3 N2	245.18597	245.18636	-0.06723438	245.18596	425854	412920	439005	370922	15069	176310	10386	37815	4379	32398	236585	16983	18080	24860	20437	73584	32057	39806	13328	2628	3473	32253	18932	46863	21649	743	48239	2951241	39784	26934	34079	32998	68849	41051	7414	30014	51771	24226	54419	2097	1530	123405	2887	409	0	11487	11315	437	56522	20812	432846	267113	15372	2063	4463	6320	10456	85274	432	1256	44695	0	12081	4808	52270	23825	22964	26787	1104	6863	5431	29575	33575	27297	14897	24017	312	21363	32936	15495685	14502	6015	2869	1693	10080	25907	45991	39015	57044	50205	11508330	3794232	42334	1813118	269879	921	349345	416696	41773	6984	28548	38098	29244	14608	4204	42000	12488	744	20511	8497	Peptide	0.25	2.0	0.16666667
8	C12 H24 O3 N2	245.18597	245.18626	-0.06421027	245.18596	31275	40709	43829	39343	2027	6556	766	2798	0	11220	8459	1033	5047	4140	1226	5619	865	1393	2215	0	0	18396	2106	6059	3325	0	1678	66840	3160	1691	3860	4712	2515	2882	1068	4308	2157	1239	0	0	0	1410	680	0	0	0	0	0	2789	2178	39926	35584	1881	0	0	597	871	5814	0	0	0	0	1227	0	2903	3723	2471	1487	0	2827	0	3223	2841	2078	0	1955	0	883	2277	121773	1839	462	0	0	691	16473	2578	2062	1608	40759	2043749	2064071	49708	15515	10121	0	37322	40039	0	1059	0	1334	1964	0	0	3505	0	0	3311	2956	Peptide	0.25	2.0	0.16666667
10	C12 H24 O3 N2	245.18597	245.1863	-0.004105512	245.18597	81865	76890	83744	73833	2678	5770	1061	3002	0	20140	136419	1499	5033	6468	947	7804	2166	2183	0	0	0	3239	2982	2830	2066	0	3188	423101	3148	1982	7709	2837	2829	4627	0	1682	1330	1016	3958	0	0	1291	572	0	0	0	0	0	1706	1550	86812	84954	1741	0	0	688	663	17851	0	0	8678	0	2708	1535	0	4681	1869	5471	0	1951	7820	4119	1923	1449	0	2396	0	1173	2437	761155	1406	0	0	0	1789	1113	4144	1656	2366	3881	5228579	2983254	3731	180370	33805	0	81958	68707	0	0	1209	2677	1580	0	0	7170	683	0	6301	1983	Peptide	0.25	2.0	0.16666667
6	C12 H24 O3 N2	245.18597	245.18631	-0.008695582	245.18597	263690	293523	213772	290403	22443	236602	3236	32725	4975	24377	25210	7660	27942	36834	29290	54826	1596	35914	20323	3131	1815	43582	13450	32260	24157	0	6123	750723	44010	22399	51170	36733	57500	37221	14853	18018	44341	13515	3212	1502	562	77090	1493	0	0	11278	0	268	45284	21000	249044	267420	12699	1844	3736	1429	2312	67643	0	0	34639	0	32904	0	8056	37853	28043	5312	0	10065	0	31820	21871	25759	3611	15041	249	21203	5870	876886	3010	803	562	0	0	17143	10217	15941	44571	41547	8733881	5309804	60773	337200	126368	716	211303	201850	15927	4668	9653	27355	26550	10205	0	32065	2958	344	6541	25325	Peptide	0.25	2.0	0.16666667
2	C12 H24 O3 N2	245.18597	245.18639	-0.031213643	245.18596	17490	17261	16874	18470	15580	0	6604	18927	7148	6799	12416	9036	40064	12859	9030	30854	11064	15168	7961	4481	4817	8040	8036	25599	10656	503	8473	41479	25434	26866	37047	43441	25618	22700	6582	20498	26670	7446	13802	5291	2161	9290	10063	743	0	5882	4211	562	36370	10191	16686	18033	8822	2292	8226	18704	10811	91841	3662	1658	22375	2789	13048	37459	53581	35718	17667	22682	15646	3501	1609	14182	14996	17710	29234	13557	1409	13535	14802	60850	8591	5205	1355	994	12583	55303	16021	8268	8947	36199	37313	24588	25505	12220	6455	577	18429	17410	6239	12377	113654	18803	8163	5699	6306	18731	33904	1620	10820	12068	Peptide	0.25	2.0	0.16666667
6	C15 H25 O1 Na1	245.18759	245.18788	-0.2106281	245.18753	1007	0	0	1626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	754	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17202	21874	0	664	0	0	0	2082	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.06666667	1.6666666	0.0
22	C17 H24 O1	245.18999	245.19026	-0.027854383	245.18999	66062	74068	56656	61560	43659	33347	129166	74301	32161	62570	64683	44289	23994	55491	47971	78519	138706	38711	46293	67547	67272	51704	43827	51339	56230	108373	139316	58218	58086	62008	39343	66194	63947	47030	55337	64491	55170	51241	128679	47647	71837	44853	3013	0	1027	35241	62120	0	53488	115725	67369	65680	39015	2108	39735	42517	41466	90299	27883	64623	69065	36774	40774	31385	40518	50069	59419	142725	79979	73176	117170	73033	40142	71953	99957	68600	1732	33845	79638	69200	44647	40468	84952	87969	54421	41870	106805	45431	48486	190706	93128	72804	69599	46835	58844	0	57097	75055	51519	65432	54242	77313	41687	56120	34729	57344	47256	0	76558	28816	Lipid	0.05882353	1.4117647	0.0
24	C17 H24 O1	245.18999	245.19023	-0.001589983	245.18999	96573	108565	88872	95513	70466	46028	165431	89408	49796	121030	129061	56818	55806	90102	69603	125554	157790	56234	82390	137537	152937	82084	55448	75137	75802	233969	160614	142903	66411	89214	52127	92963	84851	68125	106222	99543	86120	65167	153454	98647	131257	61719	6434	0	0	66781	99490	2574	79863	119700	96110	90614	68159	4847	58149	57322	58218	119766	50173	89320	97232	59524	58321	46317	57019	70877	94561	154435	151582	156241	210273	73009	68661	99146	120725	86781	0	48724	118892	139847	61500	72711	104991	126061	65118	52603	156207	53102	68840	237219	149379	108145	108173	97884	107245	3233	97413	100365	70086	61795	72221	106347	49616	94979	63281	67206	59801	3489	90532	46943	Lipid	0.05882353	1.4117647	0.0
18	C17 H24 O1	245.18999	245.19028	-0.018447485	245.18999	9953	7377	10596	7283	4994	7168	20429	11701	0	4696	5210	9190	2877	8998	6832	12616	25582	3704	7696	5395	5623	6143	4467	9679	10525	9144	21483	8755	7521	7666	6459	8934	8375	4286	5852	8361	7722	8567	23344	6020	9862	9731	746	0	464	1920	6957	575	10586	12851	7859	8198	7020	492	4706	6519	8083	17435	4514	11259	8870	2016	5149	4512	6767	4767	8603	32917	8179	3379	14095	4050	4947	7928	22752	10056	291	4776	12760	10113	12088	7033	15576	16494	5768	8246	16440	7919	4218	41386	11639	9018	16092	3885	8572	548	7227	7850	6686	10820	13489	13323	7711	6164	2947	10522	6324	466	12735	4815	Lipid	0.05882353	1.4117647	0.0
28	C17 H24 O1	245.18999	245.19028	0.013259525	245.19	19518	17449	17642	17206	85728	17529	29214	22205	28082	8042	8707	10225	24144	85008	14777	16461	22454	25793	48115	10822	9708	11100	11545	10242	20531	14540	25475	14233	16818	16095	14238	19816	18062	13646	10587	18888	16326	13066	20669	9539	10303	32330	6370	4552	5871	9250	9072	4890	18067	29710	19600	19744	44356	6478	18391	23022	33212	22621	10850	11191	18600	8407	8457	18057	35269	33151	43151	23934	11469	11930	12613	21603	12750	19335	17548	13455	6944	10082	14717	16067	11911	10803	15762	11588	23348	12784	27632	17530	22776	24167	19836	19231	15258	7929	7451	3836	16787	18685	25307	18713	22150	23841	10363	17182	10584	15807	43176	4787	14247	15296	Lipid	0.05882353	1.4117647	0.0
26	C17 H24 O1	245.18999	245.19028	0.0402214	245.19	51454	58311	52565	48510	44935	25999	73054	131604	38123	34272	62345	33640	30862	53353	44087	65525	66721	32583	41778	50676	65092	42166	36355	42738	53638	81937	77441	75889	50748	59024	41253	52572	53774	37792	53216	62984	49596	42084	84237	42186	50938	45840	0	5178	0	33527	39958	0	54759	303779	56148	51555	43034	0	36346	33704	39140	82382	33042	44919	62348	26770	30275	31595	35242	42474	57110	91319	60775	50235	60583	280555	41470	96296	59578	59633	0	32726	63233	69300	38009	46847	52649	54468	37536	39606	105807	30867	36874	111823	84086	67701	57212	50168	41421	6262	54969	59176	36449	44725	53386	64015	29930	53779	41342	42469	35537	0	60956	26703	Lipid	0.05882353	1.4117647	0.0
20	C17 H24 O1	245.18999	245.19028	0.0403385	245.19	26853	27466	27236	27404	20982	14515	59615	27664	10662	15368	18483	18108	8596	31137	24866	35215	64781	13896	22077	21267	21209	15724	18452	18552	23860	48224	73937	21132	26727	27705	14717	25013	28313	17667	20500	35553	26275	21496	69585	15189	34532	24697	2317	812	710	11430	24623	799	27922	25072	24134	29367	17674	1192	14175	23976	20288	35465	13854	30247	30044	12757	14440	13229	17756	17600	22925	62411	27630	25264	38713	16772	23204	28192	64592	32753	367	13982	30929	32340	26849	14780	52779	59648	27685	23920	50752	17150	22383	81476	35268	31476	27228	19804	25408	1266	28594	30454	21871	25836	36632	27852	19394	26683	9921	26357	21032	0	31798	10100	Lipid	0.05882353	1.4117647	0.0
6	C11 H24 O2 N4	245.1972	245.1975	0.023729017	245.1972	5052	3054	4799	2721	0	0	685	26939	0	0	0	0	0	0	601	23502	0	0	0	0	0	24880	8441	14676	643	0	0	0	7744	4879	26021	1706	0	1135	0	3612	0	585	0	0	0	0	0	0	0	2024	0	0	6719	7076	3466	2915	0	0	0	0	0	10731	0	0	21521	0	0	0	0	0	0	0	0	0	0	3730	13940	19188	3452	11584	0	676	0	0	18558	752	0	0	0	0	0	0	0	8026	0	0	137040	0	0	0	4108	4192	0	0	0	0	500	0	0	23011	0	0	1301	0	Peptide	0.18181819	2.1818182	0.36363637
26	C18 H28	245.22638	245.22665	0.039191104	245.22638	15672	15486	15173	11649	5503	6389	95695	10251	5089	4048	23771	6734	0	46265	12598	14242	24058	0	5466	5319	0	4836	7814	6249	9583	18297	103865	49133	8606	13413	5258	8489	9332	8409	4482	14165	6682	11901	23283	4740	16333	11591	5580	0	0	6643	9403	0	8682	18863	18513	10676	6759	0	6480	13107	27847	14531	9040	28962	17193	9950	11029	4176	62647	9292	27255	28423	16065	5947	10291	5546	6431	10186	10325	12209	0	7220	19197	49421	9099	18531	15235	24740	32991	31782	45975	13876	7560	71529	32239	25519	13186	12440	10001	0	17528	15992	17647	31399	159366	11969	8764	8579	16154	8477	48942	0	19937	4351	Lipid	0.0	1.5555556	0.0
28	C18 H28	245.22638	245.22667	0.0380855	245.22638	16193	13950	12341	14700	9017	11609	19838	12528	10597	7295	16322	11458	5649	14618	14184	9774	12918	6821	8343	7727	6405	8289	11929	8624	14112	16891	17715	27148	9995	13186	9180	12027	10938	10410	7089	13333	7219	18203	12922	7814	8017	11352	11152	10341	13747	10182	10002	11740	12145	16218	14529	15728	12174	13905	8464	24135	53654	11263	11546	14733	9110	10763	5897	10123	49767	9680	14293	12801	14088	7744	9682	8451	10530	10226	11327	12219	13612	10437	11041	22403	9087	13059	10735	12720	45712	54105	17394	12049	12253	16640	22888	23393	7719	10981	8996	12891	15556	15998	19726	39601	199031	9573	12324	13797	12525	9548	100545	13159	12798	6090	Lipid	0.0	1.5555556	0.0
24	C18 H28	245.22638	245.22662	0.02991234	245.22638	4653	7296	4603	6683	1749	3943	69607	5001	1561	2906	6260	2428	1374	33631	3172	6936	13127	0	1593	1927	1427	1242	1844	2671	3404	9226	77473	9935	1371	5349	2954	4892	4071	2169	0	3482	1611	3749	9289	1803	6565	3572	2760	0	0	2998	6395	0	4614	13012	3192	5312	1623	0	0	3349	5666	4978	1486	12876	9674	2037	9016	0	23814	2934	10422	10725	2544	1584	1996	3863	1406	4036	7774	9052	0	1491	5544	11919	2021	6976	14133	20153	1277	0	12391	4311	3832	32771	7315	4598	5920	3743	6303	0	6557	5694	5825	0	2820	3439	2851	3752	3031	2471	0	0	5523	1813	Lipid	0.0	1.5555556	0.0
8	C8 H11 O4 N3 S1	246.0543	246.05466	-0.004549158	246.0543	4558	4388	3546	4285	0	13782	0	4440	5227	1171	15475	8810	1421	4083	10716	2760	4126	3266	2498	0	0	5054	11617	2665	888	0	0	57050	1493	8472	16118	5485	3479	4403	0	4999	2609	12608	4445	0	0	5937	0	0	0	0	0	0	1770	4772	3662	3555	2035	0	1287	1105	17962	2368	0	0	0	0	0	2739	14731	1829	6215	5246	0	0	0	9804	8979	5514	2079	3193	0	4949	5301	0	1603	0	0	0	1698	5259	18662	2974	6249	24557	0	0	6142	0	0	0	4484	3873	4565	0	0	4262	7121	0	0	5920	0	0	706	0	Peptide	0.5	1.375	0.375
28	C13 H11 O2 N1 S1	246.05832	246.0584	0.17124976	246.05836	0	0	0	0	36445	0	0	0	0	0	0	0	0	2871	0	0	0	0	2182	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1508	0	0	0	0	0	0	0	0	0	0	0	0	3237	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67229	7189	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15384616	0.84615386	0.07692308
10	C13 H11 O4 N1	246.07608	246.07643	0.039130673	246.0761	69884	73738	61262	61886	70873	47288	45141	51781	63887	44809	38874	45809	83581	37580	36669	121915	91381	106681	120293	33113	43226	84307	50986	73402	30127	23219	57842	38078	53957	42379	45774	62140	90107	62847	52519	50718	80850	36964	123872	40685	64349	57101	3007	2258	2929	37412	36356	2592	69314	43159	64359	70147	65475	2486	91628	49534	34479	106398	23146	38328	100491	21221	73332	69268	32775	93104	59859	123243	33181	36366	42519	45973	45849	34817	80289	53136	1816	36110	79211	53193	53489	29853	27915	20962	61755	42319	80862	77225	69466	169738	39641	42901	123910	40241	57598	3679	62730	67627	47574	57774	55986	82545	38917	37706	0	77829	50310	2115	46811	105318	Phytochemical	0.30769232	0.84615386	0.07692308
6	C13 H11 O4 N1	246.07608	246.07648	0.03942218	246.0761	44447	44070	32770	41326	49299	36323	20134	39994	64901	25906	27743	36438	59217	24977	36322	55566	50894	97636	96639	22115	31180	47907	45492	41328	14970	6708	18393	17790	30030	23417	36556	34970	62249	31178	32512	28270	60654	37666	65143	13259	25912	50527	2038	1484	1665	22357	22221	1519	39514	32836	43646	42061	53197	1857	64267	36462	33547	47815	9566	24247	50690	9979	60953	53081	25395	62145	51832	71628	12342	17038	19362	30637	30003	23551	25389	29408	1566	27159	31581	18647	32800	12939	9298	8248	38391	26201	40076	69485	58962	126998	41923	29247	100337	19445	21221	2245	42029	35933	33642	41363	43499	57836	35269	20129	12011	70712	30539	1362	17834	97752	Phytochemical	0.30769232	0.84615386	0.07692308
14	C13 H11 O4 N1	246.07608	246.07642	0.032720078	246.0761	62787	71682	60898	78681	68576	52820	48655	69116	50363	44121	37751	49874	72894	34920	44805	106412	85140	103783	98671	43376	54796	95456	49325	84401	49902	26220	55663	47379	47505	50144	49873	57518	91303	59332	56658	50521	89441	46504	101100	53816	86064	65170	2855	2637	2408	45544	47014	3506	81589	48217	75055	65516	66906	2287	58578	34151	47340	115074	21481	40935	86889	30711	61371	60027	30120	93963	70100	100079	25635	34533	63475	56484	48077	29003	61481	47658	1944	41582	86375	52761	66429	33931	36692	42256	44284	37168	102610	95202	87580	212432	64941	55267	168673	57316	65484	3287	68519	62516	36723	50303	42797	85027	46792	56571	16114	105898	31113	2892	72947	80270	Phytochemical	0.30769232	0.84615386	0.07692308
4	C13 H11 O4 N1	246.07608	246.07652	0.060175847	246.0761	12946	15470	11971	14897	22790	15481	5577	10482	26956	11230	11799	12777	27696	13557	12124	10707	15287	37696	32726	8629	11814	18820	19447	7702	5721	4837	4948	7357	6304	6180	8954	7811	18008	6680	14664	6725	16977	10606	15785	8753	11402	24083	1805	1719	2528	10678	14472	2460	7694	8541	10701	11840	20662	2012	25255	16961	16198	10080	7235	12305	14787	6213	25639	24547	10578	24857	14544	13694	7410	5692	10075	7135	8400	6698	6822	7478	1396	10025	11081	12474	10159	9832	5225	4313	19329	11519	9676	25830	22009	21161	15519	9518	24765	10066	9612	4700	10200	14399	18165	24847	20163	14903	16546	8703	11191	16596	14623	2161	6273	34868	Phytochemical	0.30769232	0.84615386	0.07692308
12	C13 H11 O4 N1	246.07608	246.07643	0.044399973	246.0761	69431	88357	81333	81104	77292	51498	60868	69792	63732	49069	49381	45236	64726	38905	42189	123060	110699	117225	139036	53294	53836	129223	55071	100516	45298	29465	47673	37474	58623	55377	59896	75414	117814	71478	60728	65278	116160	45146	123438	57271	75194	76936	2878	1980	2371	55308	54472	3367	86548	59326	76572	88335	72182	2486	76012	46071	46922	113068	26343	42191	99684	32222	97604	68362	33575	103379	56364	123803	30220	49149	70640	53965	57778	44855	73710	62977	1400	46322	79112	56123	62760	42798	32294	30150	47870	41793	107011	102096	80453	259227	64224	72596	196891	48705	68085	3057	87016	83807	43515	50627	47823	106763	46047	50630	21279	118755	44351	2600	56146	125743	Phytochemical	0.30769232	0.84615386	0.07692308
8	C13 H11 O4 N1	246.07608	246.07645	0.03150928	246.0761	46856	54417	37586	50927	68819	44592	26901	40277	71976	28769	25067	39132	74960	28549	41174	73593	64983	89887	107637	23360	29272	59855	59388	56102	19246	12987	30611	22581	31177	31316	32888	35935	59282	32090	32374	27905	59023	44508	83914	20710	42314	52995	2511	1485	1905	27844	25475	1980	41818	33010	44625	50889	57740	1754	90624	47158	40087	59120	13565	27215	58261	15934	72082	79767	35815	75307	53212	80094	22506	24987	37173	37615	30021	18608	34046	35876	1513	29831	68721	28523	45946	21040	16887	12222	49218	26935	62593	73142	61787	155739	19226	27597	112909	24371	33021	2449	50968	43807	52900	54648	54291	54541	35567	22309	14522	76418	42442	1328	34592	95617	Phytochemical	0.30769232	0.84615386	0.07692308
20	C13 H11 O4 N1	246.07608	246.07635	0.027390927	246.0761	11795	12622	12989	11042	7137	16437	9426	17708	7136	6403	6447	13650	4427	3467	13317	28335	22391	15214	20059	0	4959	16005	17361	27698	13523	1645	4747	4593	10761	10977	10887	10012	21623	11810	6382	5604	21483	13827	24521	2676	13540	13838	3158	2298	2667	4911	3414	2919	17152	8936	15700	11907	11882	2575	6898	3073	7694	30974	2769	7881	25459	3338	9216	8649	7425	8060	16209	17118	0	1502	3381	9097	8412	3457	11984	9350	2151	9373	24820	15274	13230	5631	5421	0	5154	5462	31130	20139	17887	84330	12468	11055	64454	10044	3054	4273	10425	11945	6279	6366	2946	20745	11998	8017	2594	32994	4161	3419	14401	12953	Phytochemical	0.30769232	0.84615386	0.07692308
16	C13 H11 O4 N1	246.07608	246.0764	0.06051689	246.0761	37726	39222	44590	42662	36388	32822	35063	35192	30762	23042	23645	28122	36786	26918	25445	66989	56096	53351	50771	22251	23633	55070	25411	55662	25247	11315	34314	26082	27423	30489	27469	37981	65450	35969	24377	29016	61215	24629	66367	23921	39338	35673	6235	2166	2829	19255	23193	3728	49628	25500	35125	39731	40854	2913	23064	17568	24078	63924	14331	26073	52348	11048	37247	26702	19153	53254	35717	71439	14669	20896	24898	30508	28915	16960	40348	37213	2351	21949	53702	47684	27997	23704	19050	16564	24894	21673	55583	52882	38999	144058	35424	32604	92693	32382	33070	3210	41544	34160	19933	20566	25350	59171	23718	20918	8242	60320	24470	2454	44642	46619	Phytochemical	0.30769232	0.84615386	0.07692308
18	C13 H11 O4 N1	246.07608	246.07637	0.045930374	246.0761	20051	24720	16422	15804	11484	17191	13561	13419	13258	10367	14694	8477	12757	11811	10504	25118	19451	31394	29138	8597	5960	33325	14548	22993	11770	3665	12570	9615	13314	12968	14357	14456	35954	13563	8419	11931	33036	8634	25278	9078	23436	17405	3249	2127	3075	9085	11006	3002	21123	11297	23289	13186	15912	2763	11480	7457	10141	35556	9151	12758	25890	8361	22286	15616	7381	22060	18069	25384	5912	7002	8977	15093	14625	6496	15293	20083	2085	11846	22800	23490	18036	10093	9589	7426	13134	11201	27290	23858	23004	94067	22666	18099	43236	18860	25829	3221	20090	15429	8343	11007	8709	21201	14129	10773	3422	31593	7565	2724	19791	23611	Phytochemical	0.30769232	0.84615386	0.07692308
22	C13 H11 O4 N1	246.07608	246.07632	0.006478557	246.07608	4593	4512	2980	2335	3997	1961	2412	3760	2469	0	0	4462	2027	0	5798	6243	10233	4190	2286	0	0	6548	4316	9662	1912	0	2390	0	3629	3009	4414	5276	9926	4576	1565	1806	6768	3433	7199	1660	2777	7197	0	0	2513	0	2135	3170	6930	2547	2280	4828	1593	1784	0	0	2465	8969	1583	3511	7169	1208	1719	2694	1602	3270	5996	10646	0	0	0	4386	2800	1651	5820	4408	2129	3602	5105	3757	5442	1880	0	2735	2038	1759	5691	7866	4727	29508	2839	3160	12887	3477	0	2667	3593	3581	1713	1654	0	6068	4503	2483	1880	11379	0	0	3481	2228	Phytochemical	0.30769232	0.84615386	0.07692308
6	C12 H11 O3 N3	246.08731	246.08772	0.076316975	246.08734	11716	13018	11796	12371	6944	4037	8992	11957	5367	13224	10487	7098	4306	3217	9859	19395	11474	7088	9351	12976	13241	15569	8270	16055	9200	3290	8239	9072	9475	7750	9087	10044	12018	9602	10808	8992	11392	9924	19756	9915	16568	5685	0	0	0	10034	11883	0	13646	8712	11774	11136	7399	0	5416	1959	6101	18491	3569	8324	16186	5771	6047	4415	4717	5665	8124	19745	3690	7490	7248	8305	7067	5562	7917	7161	0	6809	13332	9041	11203	5041	5309	5861	5861	4746	13949	10406	9782	44329	9342	10488	30829	8328	13333	0	9126	7560	3545	5102	3860	10443	8052	6696	0	17916	2960	0	13416	6660	Peptide	0.25	0.9166667	0.25
4	C12 H11 O3 N3	246.08731	246.08777	0.07784679	246.08734	4348	5905	5051	4647	4391	3668	3958	6083	3947	8290	7023	4020	3872	3748	5680	6680	10713	5492	8252	7199	8793	10284	5557	9705	5318	2930	3411	4806	3902	3447	4023	2886	5111	4258	8842	3629	5415	4364	10894	5955	10180	5948	0	0	0	6712	10557	0	5523	3808	4855	5733	4847	0	4356	2846	3684	6779	1903	4720	7719	4478	5493	2817	2988	5365	3548	12971	4024	4525	5802	2645	2849	2628	4696	3306	0	3542	6603	6618	5309	4226	2798	3777	3982	4827	8009	7673	3884	22236	5248	3847	18646	5742	7187	0	5448	5334	2585	3245	4258	6053	2923	4366	4635	8790	3162	0	4769	5129	Peptide	0.25	0.9166667	0.25
2	C12 H11 O3 N3	246.08731	246.08777	0.09834074	246.08734	5278	4849	4131	3375	7654	0	4407	4929	5467	4601	9342	7463	6972	3748	5829	2102	16996	7388	7068	4000	9250	9237	6470	4330	2415	1904	0	8653	5327	2513	5284	3463	11322	4967	8788	3169	4858	5266	22300	4169	6621	0	0	0	0	3556	7388	0	3477	3578	4344	4423	6816	0	4487	3009	3206	4506	1279	2995	2902	3411	7531	5012	4463	9676	7298	24736	3522	3961	5784	2916	2791	1716	2037	3520	0	3998	10599	4073	8615	2688	1826	2353	4715	4368	9936	11715	6996	33522	3332	3271	19449	4548	2032	0	5184	4577	5165	4097	3735	5178	6255	2370	4668	9433	2696	0	5624	6470	Peptide	0.25	0.9166667	0.25
0	C10 H15 O6 N1	246.09721	246.09769	-0.015145936	246.09721	6951	8788	8320	7957	22996	33002	2237	12780	10649	4591	1349	3705	28879	11789	3178	0	2754	31404	25683	6478	10836	15074	5201	7892	5215	972	0	1250	17174	4683	10869	13738	26212	14033	9164	9785	19787	2348	2448	6551	1368	16320	0	911	1205	6381	0	769	14787	4356	8393	7607	22529	1065	12761	4056	2172	16167	3105	1269	4986	893	35305	14379	1978	21865	25518	3415	1043	2718	1306	12507	18591	8221	0	10061	1394	5779	2203	2064	2372	1316	1458	0	2824	3092	2189	11881	17888	2521	7847	7956	14215	1481	0	1344	8610	7512	2462	3653	2908	11806	3609	8607	1091	15685	3821	895	1790	58565	Lipid	0.6	1.5	0.1
4	C10 H15 O6 N1	246.09721	246.09764	0.015068321	246.09721	28008	31395	27046	26461	40272	33111	15680	32281	40922	8639	9158	20944	61143	27340	21257	32896	45836	65618	54315	14990	13970	17943	22628	28799	12649	1737	16368	7183	29776	24695	26213	30241	46391	35118	13053	30892	43445	20891	46217	6315	7231	44494	2920	1368	1902	17366	10962	1435	36068	24927	30264	23325	44231	1658	40649	36739	22548	37366	12196	13143	34691	4595	63566	38904	27684	49989	39094	41187	3754	3208	3915	29962	27044	28269	14975	26698	1062	18322	15365	7770	17414	8744	7464	3577	35873	29404	20844	48058	51756	24797	20617	16256	34188	6914	6905	2944	24907	32038	29658	41637	47669	40571	20954	17408	9329	29080	35134	1692	13433	87264	Lipid	0.6	1.5	0.1
2	C10 H15 O6 N1	246.09721	246.09766	0.07623986	246.09723	24128	24466	21540	23657	55828	52840	10338	23104	40344	10905	5714	20888	70347	22243	17257	6729	18306	65097	45944	11628	18650	25358	18008	17468	7865	1325	3607	3848	30766	15118	26154	25985	51182	39100	19028	21383	35281	13587	19179	11840	6102	31738	1158	761	1560	11041	5039	879	28684	12040	18267	24315	45576	1482	38091	20817	15202	31854	9211	5895	10255	3699	75230	42693	14226	62644	38107	21138	2530	4176	2896	33234	32905	20388	2752	20560	1270	17365	9812	3222	9267	5022	4647	2223	21046	14133	12995	44327	42978	16854	16257	18914	28224	5367	2874	2019	22411	19527	17738	22044	23969	24735	32985	13602	5582	30086	20995	683	7918	114527	Lipid	0.6	1.5	0.1
6	C10 H15 O6 N1	246.09721	246.0976	0.016288364	246.09721	42891	49698	41586	42532	73653	55597	23712	45859	78172	17648	21154	28724	118563	38776	39235	52716	57001	133680	104309	19516	23087	29038	39804	41069	19971	2854	23451	14757	54989	42090	43861	45482	73941	55410	20717	54583	75870	33877	64067	7932	9524	68198	3090	1149	1599	22596	17721	1134	51197	40047	45604	47668	71231	2295	88813	54102	34939	57726	16551	19335	52754	5669	102752	61782	33904	92761	68671	63852	4718	7190	5105	42806	45826	50883	27405	38387	1079	26107	20810	9459	23083	9943	12694	4951	57075	49062	36977	66207	75091	39791	34590	38660	52414	12336	10781	1883	48569	47868	39566	53006	71203	76691	32230	25405	7595	44358	63821	1253	20476	154335	Lipid	0.6	1.5	0.1
12	C10 H15 O6 N1	246.09721	246.09753	0.014197233	246.09721	7117	9841	11120	15068	20197	16680	6644	10678	16612	2382	3407	10174	20757	16097	10324	10401	16952	31409	27085	3116	2776	4636	16443	8820	9596	1309	5087	0	16004	11635	12635	14719	14802	13807	3676	12559	17344	12907	11987	1588	0	18532	2187	2238	2437	3018	0	3507	12634	9697	8549	7764	16684	2672	23694	10491	10716	9746	8180	0	0	0	20171	15078	11438	21229	15385	12758	0	1248	0	10746	11624	14424	12245	9174	1900	14006	8916	0	9591	2262	3603	0	14624	11265	11612	16148	18092	6298	10449	14486	15919	3783	2532	2494	9926	12723	14183	12238	17017	15277	11865	3167	0	14982	20154	2553	8330	29290	Lipid	0.6	1.5	0.1
10	C10 H15 O6 N1	246.09721	246.09753	0.042651284	246.09723	24691	24562	22957	17587	40172	31084	16408	27191	41381	6348	8412	20416	56212	25041	26199	27312	29887	54534	54415	8568	10059	12815	27601	20034	16031	0	15069	6898	35229	25977	22982	26147	33838	25171	11245	24328	43430	22528	32958	4264	7231	31190	2628	2391	2782	6741	6246	2028	21524	19052	25610	27036	36771	2715	47400	27682	19338	28959	10767	10760	27938	3284	37409	34307	19287	44977	33174	27021	0	3398	0	23460	22149	30156	22447	21106	1903	18726	15235	9467	16029	7066	8302	2632	40931	23647	21108	28857	36621	16462	19196	24828	29011	6623	5615	2505	21473	24310	28734	36560	49413	33060	18207	14768	0	23667	38137	2268	17347	50833	Lipid	0.6	1.5	0.1
8	C10 H15 O6 N1	246.09721	246.09756	0.006802487	246.09721	36441	34869	33990	34115	67258	49954	21025	38114	73931	10396	16210	25989	107147	33768	32682	32237	42039	98192	87221	16279	17053	23168	39776	36891	20358	2100	19650	15912	42117	32815	35487	40775	50095	41829	22226	39727	53749	26870	41843	6899	11213	56702	2526	1350	2301	14887	13610	1532	41466	28519	32217	37334	54777	2369	82114	48403	31195	35101	14533	15080	37796	5788	85301	61604	36682	73734	49771	43771	4007	3689	3947	39982	43681	38946	26556	28688	1459	24521	21971	12096	22135	11603	10203	3887	47823	36273	27758	48224	62797	32011	24102	36058	41676	12635	7378	1904	33884	40880	42565	52133	63769	54549	25136	22272	0	38050	64522	1346	17544	110226	Lipid	0.6	1.5	0.1
0	C9 H15 O5 N3	246.10844	246.10884	-0.06440363	246.10843	10907	11943	12107	11693	6506	0	19922	3929	7966	0	0	1645	7412	7711	8038	0	173418	8996	6516	0	2567	3315	5090	4738	23736	0	3050	4315	8531	0	5742	3881	12200	3572	2168	2385	5821	36129	192195	0	0	5299	0	0	0	1351	0	0	4908	2220	11477	10620	7910	0	6291	4042	118654	6229	737	1075	0	0	15873	3505	21928	7674	10579	359345	1215	0	9904	3274	3394	2404	0	3172	0	1640	17356	955	21045	866	1475	0	7497	46420	9048	5685	7768	9994	2986	1983	9514	0	0	0	10928	12702	29303	3451	10125	0	2002	0	0	8733	12198	0	62865	21398	Peptide	0.5555556	1.6666666	0.33333334
2	C9 H15 O5 N3	246.10844	246.10892	0.2053062	246.10849	3181	3420	2572	3832	2910	0	0	2155	2312	648	0	1772	4055	1139	1775	486	18185	3879	3079	0	530	2425	1553	2525	7045	0	0	0	2544	969	2156	1862	2913	1541	891	1250	2786	2619	11150	337	0	0	0	0	0	629	329	0	2139	2365	2088	2371	3243	0	3162	1514	8392	3796	473	569	761	0	4232	2680	0	4024	3767	21330	0	273	438	1327	1774	874	408	1412	0	943	3286	0	3311	0	469	0	2582	2052	2589	3753	3789	8156	1359	1170	4037	499	0	0	2698	1460	2989	2187	1996	1382	1239	911	266	4115	2148	0	9484	6027	Peptide	0.5555556	1.6666666	0.33333334
2	C14 H15 O3 N1	246.11247	246.11292	0.054221816	246.11249	32791	27718	25913	25440	25180	20592	17005	30442	24795	54144	39979	21732	29878	18738	23003	32996	34353	34266	36525	47931	63181	39460	23581	30631	17650	47315	20889	29377	28187	29473	24254	29027	35699	22564	59630	28107	34451	18614	33310	40125	46366	24118	2098	1428	2021	20036	28622	2186	31556	23699	28731	29482	27303	1921	39138	14756	15674	33952	6230	18833	32570	20675	40743	29743	12410	31661	28150	38524	43895	52897	71407	23387	27654	23321	42431	29686	1510	17958	27372	25058	22924	16319	12476	22660	26680	16774	26070	24088	25714	46085	20583	20503	46751	28861	42204	3449	28256	31533	22482	22642	25192	33964	20573	31585	16231	28776	17316	1700	18968	33371	Phytochemical	0.21428572	1.0714285	0.071428575
16	C14 H15 O3 N1	246.11247	246.11278	0.05735445	246.11249	64278	62550	65272	63690	45106	30522	41667	41406	29702	133744	132447	31240	21050	25741	38069	68451	59154	44653	55821	152190	167540	127760	31710	66322	41400	89226	39717	113250	48238	41960	39112	57334	67742	50383	131217	41393	70230	31998	70265	140944	229470	35455	4135	2523	2799	55775	84557	2843	59026	45479	66819	64402	42046	2687	29189	18537	25427	76549	37025	79102	49648	76007	32472	27219	20698	44030	46633	66129	80126	98739	133826	49181	40310	37182	49940	43415	2095	30990	52795	127734	38795	57378	45512	95855	30854	20168	54057	41493	40007	111091	91965	98432	99196	132447	158325	3660	57749	57462	28252	22642	28313	64766	31328	58594	35103	64514	31976	2842	47537	40493	Phytochemical	0.21428572	1.0714285	0.071428575
12	C14 H15 O3 N1	246.11247	246.11282	0.04491159	246.11249	60113	67472	52587	67004	30828	22081	39024	46348	29112	82115	60851	29837	17694	17426	29144	78534	62789	42543	40714	117785	100909	104089	33397	63167	34489	107374	46373	48776	39427	37718	36324	53966	51713	39652	93349	43355	58829	27463	76772	89208	143043	35435	2679	1889	2174	54974	77376	2702	55635	51667	60479	64142	32862	2272	26245	16024	21049	66199	23735	56201	53027	47805	29212	26746	16739	35404	26756	74319	71876	114046	158270	37571	38182	35296	59503	47185	1604	26918	44032	49097	32579	38242	37603	63343	26985	19625	52644	36562	34854	116485	71978	71112	99485	63185	112212	2891	61706	60935	23662	20323	19810	68177	30656	59238	22153	53152	21978	1741	39472	39821	Phytochemical	0.21428572	1.0714285	0.071428575
14	C14 H15 O3 N1	246.11247	246.1128	0.041915715	246.11247	83479	83815	74885	86116	54037	41906	54102	68359	39911	109464	110289	45529	51410	34779	43447	90456	79767	70587	67844	111082	127312	127855	38368	83465	52937	107126	56957	89430	50703	56487	59847	67518	84914	59433	128815	57426	87131	34474	94120	127512	184474	47201	3191	2234	1753	73922	80525	3098	83083	49844	85588	79518	48894	1845	39047	24084	32529	109837	35634	69178	61994	65101	39934	40674	24934	57458	52307	97550	80755	119885	196555	58762	46697	40598	56871	60853	1776	36599	70420	76901	51626	53615	56353	95436	33017	29814	74432	59673	58054	182131	115150	111405	151522	96388	130724	2846	85329	75648	34089	32150	30905	72747	47855	78668	37648	91123	32018	2297	62277	40368	Phytochemical	0.21428572	1.0714285	0.071428575
4	C14 H15 O3 N1	246.11247	246.1129	0.030576011	246.11247	47554	49483	47442	49747	33224	27535	30239	50544	29857	82371	54023	32643	31826	26818	33068	71587	66544	47611	57562	78545	99252	61632	41951	72839	38212	65384	32371	50778	42171	33597	36109	43140	63467	36589	95093	41857	56951	34560	73453	49068	69196	40250	3438	1710	2136	43877	49542	2493	53289	44918	50850	39980	38958	1857	42512	19906	23245	71949	9440	33713	65563	35049	30942	31672	14701	36454	30079	73002	59159	75849	96320	38419	34936	34596	44531	39518	1456	31542	53287	38070	39470	22985	20347	34711	23591	21989	58878	42651	38135	129157	43871	25230	84994	49798	74577	4464	45065	50267	28506	22695	23116	60489	31398	43349	25556	52360	20392	2166	42776	36553	Phytochemical	0.21428572	1.0714285	0.071428575
6	C14 H15 O3 N1	246.11247	246.11284	-0.029786902	246.11246	98674	104382	94824	90262	54216	67295	88989	90444	39547	129788	79745	66404	49110	43923	70942	152734	114964	98625	111236	116714	141104	81473	75365	160896	85255	88433	97195	66611	96646	74231	92131	119697	191533	95434	131723	87942	172206	73536	173269	60334	83801	79301	2414	1497	1676	66122	62180	2086	144849	74295	99067	96941	81910	1912	44845	20494	42155	154768	10474	34414	127631	42308	33325	34998	37209	75039	90950	182057	73657	110111	138904	84346	69077	46868	93454	62742	1422	60944	91253	65295	79839	25487	20125	52023	29664	46243	105881	110152	101658	223240	49695	32951	162978	59834	98698	2079	94459	79024	31895	23730	33100	193702	68656	45510	24452	139926	37916	2075	89666	66984	Phytochemical	0.21428572	1.0714285	0.071428575
10	C14 H15 O3 N1	246.11247	246.11281	0.034019332	246.11247	52882	45389	40701	38604	27787	22023	30234	39704	22666	87408	61813	26962	20958	16796	26554	57527	47951	37746	36939	85740	108814	67580	28455	52496	31819	101367	35338	47720	36621	30658	28022	39029	46155	32593	80651	37394	47472	27028	64762	74619	104892	26124	3354	1815	2463	42315	47395	2381	40960	32326	46598	48327	27340	2201	28799	16770	16041	48255	20945	45090	48315	40672	22028	23116	15894	29001	24761	63345	89577	103195	141150	31750	30579	28915	39838	37651	1993	23364	40742	39367	28632	36272	30223	52199	20555	19603	38736	27787	29981	82293	49113	40795	67677	57220	92362	2569	46550	43248	20779	19500	18918	45494	26576	41937	19357	46563	19013	2258	31818	32018	Phytochemical	0.21428572	1.0714285	0.071428575
8	C14 H15 O3 N1	246.11247	246.11284	0.012961032	246.11247	55417	59395	48655	50598	34845	23102	33853	51921	24495	113586	73948	32362	22677	15669	30953	66314	64127	34170	39626	109520	128419	72189	29161	62443	30806	91566	39856	64641	46445	46799	47153	61654	65286	55247	130453	53583	68460	25886	68969	76269	93031	25554	2628	1670	2080	46534	63353	2205	63229	45842	52614	53640	29741	1772	27517	16651	19350	60184	15899	35872	50304	40491	33093	25675	13129	31694	25970	70800	75924	93440	129928	48188	45108	39786	56811	55115	1584	32664	39116	46616	33554	28489	25064	53777	19884	14481	36202	34335	37121	79299	45794	38329	72980	58662	90235	2595	48324	47469	19773	21888	18773	63895	34087	40470	14754	51648	21301	1860	32041	34690	Phytochemical	0.21428572	1.0714285	0.071428575
20	C14 H15 O3 N1	246.11247	246.11275	0.020616679	246.11247	19664	19157	16346	17180	18455	14305	12633	15474	14010	27494	30351	15566	8477	10346	16384	26110	24990	15283	13368	27862	33232	23796	15081	20054	9986	15914	15536	32104	14749	13450	13890	17280	23621	16971	22890	13005	22906	6255	23176	36481	57909	18193	4495	2477	2259	17572	24070	2376	21463	15759	13528	20849	11118	2155	9453	6943	11518	24226	13138	24097	22263	23080	10165	9299	9605	11695	14508	27067	10029	11119	16223	16671	15531	10113	13358	16606	2322	13102	11863	36428	13149	18976	16393	25011	11914	7303	16195	19581	14499	35129	33477	26939	30080	32734	24407	2387	18698	17617	35877	8497	9020	26539	13442	19943	12261	22458	12452	3274	13350	9770	Phytochemical	0.21428572	1.0714285	0.071428575
18	C14 H15 O3 N1	246.11247	246.11276	0.042367257	246.11249	58514	48551	40835	48514	27799	22439	24579	40545	18989	83394	89863	21856	17688	24832	20214	53506	39450	30627	39829	86810	88898	87352	71974	87376	32076	49488	26563	152817	29500	34687	28746	34350	48746	38283	71656	31533	54358	16483	43366	96042	145510	26102	3838	2164	2380	64469	62992	3150	34697	23654	49528	41145	30646	2496	20557	13655	20881	66130	25766	50258	52506	62038	29074	20725	16362	35184	27269	48854	36147	41658	71713	30773	26596	19818	23635	28459	2397	18207	37616	90426	38820	44515	28448	71581	17083	20888	37750	38483	26452	67710	80229	74006	120310	85422	91311	3629	42306	41271	15710	17052	23010	48840	20005	47313	27923	85781	19337	2344	38484	29583	Phytochemical	0.21428572	1.0714285	0.071428575
4	C13 H15 O2 N3	246.1237	246.12415	0.044239383	246.12372	10071	11995	10935	11180	2819	6189	8711	16620	3539	20907	11335	9154	2806	2470	9495	23393	21726	6847	7128	23574	27017	14006	10198	19750	11292	7237	8764	17886	11125	11220	10532	12117	13479	10875	26434	13727	14363	9099	18909	8750	13687	7586	0	0	0	9453	12558	0	13481	13770	11558	10133	6381	0	3788	1388	4068	14167	2336	7184	16415	6110	2672	2777	2960	4654	5729	22371	5598	9464	12645	10728	10375	10781	12336	9394	0	7416	14178	12850	10907	4268	3822	8013	3222	4419	13631	8961	8470	29690	11905	6072	37675	9693	15553	0	10289	12130	2015	1365	2387	14318	8500	10406	5262	19418	3073	0	13288	3595	Peptide	0.15384616	1.1538461	0.23076923
2	C13 H15 O2 N3	246.1237	246.12415	0.057238244	246.12372	15828	15014	12982	14596	5317	0	15024	19493	4202	22331	18154	12040	3522	4570	12974	16222	25554	9269	10643	20052	23078	17437	14019	21494	12767	6583	10368	31009	20169	15619	16086	21015	19806	18056	22143	16263	16716	13507	30917	14033	15162	10134	0	0	0	13217	17402	0	20798	14654	15581	15766	8413	0	5358	1617	4915	24317	2579	7574	13474	5915	5035	4432	4502	6707	10615	36844	5830	11412	13212	18094	15468	12886	18644	17310	0	10472	17588	19206	15459	5779	4755	10934	3106	6099	17721	13974	11505	46752	26023	10779	37217	9110	11301	0	14821	15941	4181	2081	2307	15792	9833	14117	7367	22605	2881	0	16760	5108	Peptide	0.15384616	1.1538461	0.23076923
8	C13 H15 O2 N3	246.1237	246.12405	0.020818079	246.1237	8896	12067	7869	10129	2046	3284	6224	12377	2236	17005	12402	5915	0	1110	9575	18009	12978	2777	4932	14204	16961	11070	8521	17868	11494	7259	8440	15757	11546	10086	10059	10255	11883	10788	14524	11132	13399	7897	13614	14983	18065	7513	0	0	0	10433	12725	0	15389	12074	11195	9704	5508	0	2551	0	3426	14014	1462	7381	11241	5547	936	1405	5255	3093	4139	19925	4883	7575	9648	9858	9561	8337	9080	10346	0	6615	7755	8003	9998	4216	4310	11177	885	0	9687	7466	7712	27470	10486	0	30490	12392	16916	0	10225	9309	1524	705	0	13569	5238	9913	0	14544	2011	0	9038	1946	Peptide	0.15384616	1.1538461	0.23076923
12	C13 H15 O2 N3	246.1237	246.124	-0.008879908	246.1237	4469	4623	3146	3554	1492	1969	3800	5107	0	3633	0	3421	0	1233	2783	8177	7226	0	2178	4252	3012	0	3298	5547	5226	3028	2606	0	4896	3757	2486	4434	9297	4160	4922	4462	5651	2937	9083	2934	0	3103	0	0	0	1618	0	0	3816	3318	2605	2984	3502	0	0	0	2305	4092	0	0	0	0	0	1413	2046	0	3398	10585	0	5373	6051	3053	3577	1994	4648	3359	0	2524	5418	0	4691	2504	1794	2758	0	1270	5527	5705	3585	21927	6807	4636	9887	3264	3000	0	4087	2488	0	0	925	4363	2861	3563	0	6705	0	0	7419	0	Peptide	0.15384616	1.1538461	0.23076923
6	C13 H15 O2 N3	246.1237	246.12408	0.017149175	246.1237	13011	13527	13132	12655	4187	4895	9200	19556	2928	16814	11522	8479	2196	3207	12802	23983	17840	4487	7422	17709	20524	20609	11930	28761	18138	7656	10728	14429	16719	15378	14608	19147	22042	17562	18452	17026	20259	9829	26400	10846	18370	8485	0	0	0	12699	13811	0	16619	13681	13116	15405	5780	0	3204	996	4513	29772	2406	8635	28437	6962	1860	2550	3812	4093	8953	27537	4901	9094	8230	15134	11955	10288	12699	12828	0	9087	11022	12009	11767	4397	5785	9978	1815	4331	13535	10228	8867	45712	15524	10323	43475	10104	13118	0	13341	12612	2193	721	978	18081	8402	12470	0	25454	2044	0	13966	2721	Peptide	0.15384616	1.1538461	0.23076923
28	C16 H16 N1 Na1	246.12532	246.12567	-0.040137667	246.1253	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	920	0	2361	0	0	0	0	0	22233	0	0	0	0	0	0	0	0	0	0	0	0	2516	0	0	0	0	0	0	0	0	0	0	1329	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	934	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0	1.0	0.0625
8	C11 H19 O5 N1	246.1336	246.13396	-0.03546892	246.13359	85344	85608	68455	75199	91368	88294	105615	106608	68139	33785	33770	69269	141767	91105	93304	155613	131972	148195	129806	51087	46903	43639	75217	69599	65419	32810	74757	33899	161664	123094	89222	132451	269357	144121	49734	157401	156091	69185	118465	19419	23194	99433	9693	1485	1991	50064	45259	1317	145357	103213	75558	87219	72592	7252	94472	71199	57630	110580	30458	40535	128811	11940	92643	67334	71386	134762	96007	105558	12376	18755	15537	114273	129836	133395	123569	116673	1084	67281	53341	36795	39738	33290	170585	134140	98247	80746	80955	83956	94770	71643	62346	82483	75545	26646	37399	3214	84031	108598	58759	92416	141192	180657	85289	63669	17006	73811	97212	1346	62363	111334	Lipid	0.45454547	1.7272727	0.09090909
10	C11 H19 O5 N1	246.1336	246.13393	-0.041677132	246.13359	125719	104303	106969	117044	120025	143229	140190	213361	91222	37925	46677	126561	155758	136914	163628	214589	143386	237743	187270	74535	77523	48238	97745	93961	173397	32219	91055	114004	314659	246970	137012	215849	530672	200320	43959	285572	435484	113618	138544	20674	21884	175294	27479	2339	3241	56260	35372	3201	229187	155935	122973	111376	108422	7271	104709	68986	83779	190680	36127	52293	231010	13422	94082	82636	104606	165853	144568	117292	17465	22990	21822	157253	191927	225158	243257	160986	1904	165999	49508	70350	42576	33555	123951	82226	99026	135538	90190	111107	140020	73284	99244	92852	101282	29208	37417	5392	116874	150100	72362	79698	112710	573450	133726	80876	17053	100342	96907	2534	102244	120785	Lipid	0.45454547	1.7272727	0.09090909
14	C11 H19 O5 N1	246.1336	246.13391	0.02672774	246.1336	27544	28761	25219	28471	33971	34972	33693	38541	20506	5724	14359	86196	41623	31746	39020	47553	44018	40530	32604	9084	6232	9528	23411	26434	36680	4025	23338	56968	50137	46521	42468	66826	41635	72346	3380	54682	36473	37233	38879	2718	0	33619	8618	4958	6679	8662	5836	5485	47244	31859	26672	22342	30242	12874	36482	22160	13835	50421	8572	9111	36032	2056	30654	18955	22623	37575	31350	29086	0	3935	2096	54666	91927	104546	37452	64529	3936	68230	12724	27771	15432	9613	7031	4585	30234	25320	29626	28374	30130	23437	63587	47868	22770	11843	6111	10434	23731	27356	19673	26364	48725	38731	104234	13935	96805	30373	28984	6623	32223	23948	Lipid	0.45454547	1.7272727	0.09090909
2	C11 H19 O5 N1	246.1336	246.13403	-8.93906E-4	246.1336	60998	59672	59386	64107	209030	73335	20553	46117	144316	26268	15679	28494	280370	52605	24656	44666	40413	245532	189700	33514	40822	138454	34607	44758	26777	2511	13671	11282	68027	37123	55985	66460	203490	92628	89440	52798	90669	22932	82784	30292	12052	51494	1328	957	1265	27915	12814	718	71168	27440	58301	62418	172358	1144	166426	94008	45130	117728	19241	12698	99040	8739	255174	141070	25236	259414	142852	89762	5873	16035	8260	88169	82411	57354	13357	53469	722	26773	78297	11552	19690	9296	10752	5243	99668	55966	123776	186484	92572	388468	62787	64753	172868	12220	17657	1527	57210	59528	44656	124562	117970	59568	27237	80630	9471	75962	115524	729	43879	403650	Lipid	0.45454547	1.7272727	0.09090909
0	C11 H19 O5 N1	246.1336	246.13406	-0.09637931	246.13358	27652	28651	30149	26754	37334	33817	11438	52563	32160	13302	3976	19643	48319	21376	18907	32803	50213	79339	57783	20777	33616	38554	27279	27990	20202	2013	3015	4502	93908	24830	68286	49220	111080	47465	29174	55891	64762	16873	61247	15233	5383	48849	0	808	1343	15302	3655	619	59300	25197	24584	29132	49261	1050	67434	13272	10548	95277	16083	5821	43565	3887	45756	33061	24808	47509	81425	55114	2377	11961	3174	38248	68219	51368	11940	57971	810	26218	12639	4857	9662	2927	6552	2402	13119	15564	16143	31030	76152	35459	36528	35597	51356	6858	4146	887	25624	27041	11832	12154	13383	48119	19516	21856	4526	92307	16118	684	14404	84857	Lipid	0.45454547	1.7272727	0.09090909
6	C11 H19 O5 N1	246.1336	246.13396	-0.07223757	246.13358	62786	68128	59965	66695	73519	54098	65276	91450	60696	25435	25718	48764	134961	43555	62559	119280	96434	129276	99432	39612	34557	42245	58794	80093	42317	8810	52630	21257	109716	89617	71866	94139	94637	109166	33224	107983	99523	53195	95043	13565	17659	70996	6276	1022	1501	42114	42446	1006	86075	75142	71478	65507	63885	2259	92419	58451	39172	113424	29468	30736	106215	9725	70377	55398	34570	132598	63076	100390	12628	17162	14211	84896	89471	108844	52606	71569	1051	46646	44483	28167	35323	26883	60434	29700	76244	67728	68125	65445	72177	72653	59913	64251	77195	20380	26775	1756	64224	67487	38628	85087	119739	104196	45210	43305	18857	66842	80122	871	48201	98089	Lipid	0.45454547	1.7272727	0.09090909
0	C10 H19 O4 N3	246.14484	246.14526	-0.11814818	246.1448	30379	27817	26035	25214	15611	31307	18903	44144	10785	4054	15149	25785	15735	14919	24661	5022	48811	32419	21101	5591	8799	13838	19899	12725	17430	0	8891	87570	82558	54697	80193	54264	78548	47595	10647	59953	35568	32760	60234	2404	0	28387	0	0	0	4665	0	0	104404	26118	27120	25756	27235	0	12746	4834	7638	62311	2384	1797	28614	587	21256	9354	23215	24399	46377	49451	10903	5170	1408	33781	87179	44124	0	66441	0	23071	19788	217967	10700	1082	1982	0	6609	14797	34143	25316	36087	23093	188967	73944	21626	53477	0	403	24341	27501	12012	6391	9680	27355	24280	6926	1278	35150	11091	0	20533	43061	Peptide	0.4	1.9	0.3
2	C10 H19 O4 N3	246.14484	246.14528	0.04628999	246.14484	147931	151696	146826	151884	16908	73714	52688	233077	13245	13967	24094	141502	16131	5755	275891	169859	153760	30790	48644	9334	9903	35953	196473	275649	162758	0	31925	33322	166427	93058	204751	226466	160980	163623	14677	206421	151956	231445	196853	5785	2360	117844	0	0	0	34774	9992	0	261923	175438	141660	149369	58466	0	15011	4801	36966	718227	2119	2219	191318	1721	15468	15888	23773	50214	84221	281137	3434	41476	12527	151400	110534	51851	167500	130462	0	109760	34004	200363	39262	3320	2207	2224	5523	18674	48956	93068	154448	220488	0	68791	98527	27133	5374	446	145125	131504	11309	4387	5385	125593	126586	8582	2785	660989	6353	0	193652	25274	Peptide	0.4	1.9	0.3
14	C15 H19 O2 N1	246.14885	246.14919	0.07510841	246.14888	17534	17145	17231	21118	8198	5661	10953	9315	2850	40404	28820	7440	4154	6276	3956	14804	13734	4162	7110	35754	47781	23216	5459	9335	9353	61292	10503	17008	8724	7756	7031	8911	12616	11821	32735	10246	13148	4096	16858	35734	69114	6358	0	388	416	21049	29349	670	13916	5697	16824	16112	5246	324	2160	2844	5737	18676	0	16828	0	16540	2049	2943	2747	9208	5914	18019	28907	53986	93298	9060	11095	6211	14557	8199	257	7098	8623	0	7033	15462	9889	33873	3712	2462	14699	4992	7015	40635	25323	21539	23841	25801	39642	474	19066	12775	3509	5058	2023	11955	7773	15673	0	13562	3181	523	11717	3783	Phytochemical	0.13333334	1.2666667	0.06666667
20	C15 H19 O2 N1	246.14885	246.14914	0.05959315	246.14886	17697	11388	11684	13092	7736	4603	8131	9324	3858	24878	25472	10459	2305	14905	3558	15229	16289	5776	6945	26894	30911	18042	3834	13749	6131	65131	9392	30611	9940	9113	6066	12037	10959	11415	17456	6235	11848	4758	12691	27990	51624	6565	894	0	461	16360	34933	658	9248	8384	12441	16312	6182	293	5477	3186	4734	14478	7303	19594	13912	17424	3591	2097	5927	4593	6794	17322	42822	39172	81433	10005	7857	5203	12460	9141	494	5956	6623	29842	6491	16808	9943	24623	5293	4970	7982	9050	4803	26864	21769	19240	13727	26746	17520	0	10904	10933	4664	2530	2847	11274	10763	13133	13486	10734	4611	597	8794	8388	Phytochemical	0.13333334	1.2666667	0.06666667
0	C15 H19 O2 N1	246.14885	246.14928	-0.19791946	246.1488	12216	13915	12199	12119	838	0	17401	28574	858	10687	9106	21741	0	0	25221	3397	31792	2926	3562	12121	17812	12727	16296	12315	5200	8512	7885	12825	19732	9192	16582	10927	23160	17179	14373	18569	15801	24580	30857	11344	17799	5194	0	362	0	5790	8684	0	14424	21663	10076	11242	3175	454	1408	613	2653	18256	3117	5731	8022	10137	0	1619	6753	1901	6117	29984	5425	4885	5706	20278	15857	17401	6605	20706	0	17215	24933	29984	16388	4018	9677	15544	694	3258	17152	7103	7191	27562	33578	17291	30874	14526	7774	497	12282	11650	1390	798	0	8135	10710	16564	6316	19511	887	0	20357	0	Phytochemical	0.13333334	1.2666667	0.06666667
2	C15 H19 O2 N1	246.14885	246.14926	-0.0717459	246.14883	101252	102449	96542	96151	9117	25966	70544	230393	7772	114593	53730	74526	5764	12199	72144	453497	135348	21454	36385	152231	127049	92094	61207	413928	115461	60030	100058	49615	147244	158069	143645	167622	134530	136118	101888	166847	155742	61614	136021	85585	44927	30436	644	352	482	84861	41363	344	193028	169876	101009	103691	19909	372	11212	2840	13069	268219	2361	7125	332733	29753	7688	10788	13477	15399	39290	157597	32046	73389	59788	174411	139796	179619	219494	150457	370	88627	80000	48779	73151	9108	15738	60282	4614	14046	60174	35316	41981	348778	117112	50422	405936	39972	115689	993	103089	108983	6448	3021	3159	165249	65183	131116	17401	237232	4050	348	104278	11416	Phytochemical	0.13333334	1.2666667	0.06666667
10	C15 H19 O2 N1	246.14885	246.14919	-0.026358897	246.14885	38758	34818	34081	34315	17455	11896	18731	42904	9607	99819	55202	19230	8544	12192	15898	53036	38048	16361	22178	103166	123291	24818	20643	50207	21754	55446	24218	56751	34152	34371	26227	38030	45025	33107	101895	31064	42873	16912	46811	53321	42072	16213	700	0	346	22504	31478	596	37905	34449	32656	33617	17580	488	8128	4181	7692	48340	0	15271	37923	14360	9689	9860	6932	14790	14891	49069	29927	68059	69761	36922	30420	31196	37799	34499	0	18172	23539	28224	20943	5187	2653	34036	6931	5693	24251	17623	15819	90262	58978	9693	64986	33795	77952	0	32548	35630	8656	5916	9215	36935	20036	22628	0	37183	5657	0	24364	10280	Phytochemical	0.13333334	1.2666667	0.06666667
16	C15 H19 O2 N1	246.14885	246.14915	0.013609544	246.14886	34159	47444	37247	37268	10330	8479	12469	46939	3827	92392	80737	136041	4351	5984	124588	76093	38305	8506	12029	94265	111961	40352	12820	18755	6757	132447	14729	61270	35391	51008	121074	30168	17914	22989	85811	30761	19466	78108	38073	78293	150329	6933	837	588	360	27635	47709	497	62306	41829	38722	34274	8737	687	2892	4280	6710	62653	15360	38964	56290	52258	7130	4067	5781	5721	10201	32791	114055	113934	192672	42968	33841	29018	37261	39589	409	124900	12051	58500	6855	31801	16434	69879	4708	5045	13721	12651	10141	47759	46802	35192	0	65284	92190	493	35043	39173	3598	3858	5980	16579	119330	29170	13351	22849	5098	677	15739	1619	Phytochemical	0.13333334	1.2666667	0.06666667
8	C15 H19 O2 N1	246.14885	246.1492	-0.04664193	246.14885	73375	74205	59893	75711	19371	20942	24383	52775	9903	219571	119418	31348	9612	14890	28464	63212	52531	18329	31818	253698	235325	45639	27584	60421	28726	100688	32128	120970	49620	46097	54890	61735	64484	60504	231869	47335	63596	29839	70978	87294	51891	23428	713	370	283	44947	50416	478	74712	50395	59726	70996	20468	483	11933	4296	13755	64285	0	15222	65925	30265	12592	14024	10854	17899	27658	132475	58043	118508	134060	53866	52199	40813	55642	53488	275	31653	31415	50410	29913	5564	5052	73749	6694	7381	43604	26946	27528	796635	76998	9288	258408	64660	132677	496	63768	63274	10026	5379	5110	64953	29878	36112	17493	91644	6576	400	34151	15175	Phytochemical	0.13333334	1.2666667	0.06666667
4	C15 H19 O2 N1	246.14885	246.14928	-0.0210984	246.14885	129746	139959	125833	129447	37252	38943	68148	149130	24254	307071	125908	71257	14521	28832	57321	206419	133289	49305	59670	311583	314165	172570	76977	176063	73075	105129	82484	164111	134059	95495	117081	140387	180033	129000	346691	135686	172082	58989	144894	126889	67957	38721	1109	476	462	83118	80422	495	174188	116416	131794	110044	45102	358	29850	7301	20120	269412	1862	6678	215727	51260	19987	26754	17431	31975	48767	172624	69172	146624	164306	115517	120595	121176	155219	114134	315	74121	93163	77544	88468	10836	11447	100156	15113	16216	88618	57794	58362	373406	136136	37257	344228	97591	229817	815	122391	126473	18138	6661	7688	155537	63884	99206	27580	172729	14515	604	93891	25633	Phytochemical	0.13333334	1.2666667	0.06666667
18	C15 H19 O2 N1	246.14885	246.14915	0.02151685	246.14886	27165	24677	27503	24353	8430	6493	9905	16704	4744	55537	63507	11074	5409	6045	8864	22578	27296	7217	10069	65594	72649	41540	7832	18355	8373	96458	11878	67623	14126	11001	13118	12301	15601	10284	55272	12286	14715	7447	24215	58874	93148	11144	633	365	379	23775	43044	490	15194	12062	25240	21405	9461	595	4451	5669	5975	18451	5827	35893	21023	34058	3936	5804	6347	7926	11290	26633	78020	85018	135562	12239	13443	8758	23768	11127	289	5963	12048	49702	8496	27144	16540	40480	6096	6204	15949	12303	11483	44721	46149	39282	25953	43888	63388	0	27269	18529	4531	4229	6428	16440	10167	25480	18267	16491	4267	0	11572	4428	Phytochemical	0.13333334	1.2666667	0.06666667
12	C15 H19 O2 N1	246.14885	246.14919	0.024054447	246.14886	17027	21292	21147	17157	7710	5956	11142	16375	7445	29660	19496	10545	2654	13099	12134	30580	26920	6451	11222	41359	44359	21427	10865	23909	12473	32105	13368	12417	16581	15712	18153	21292	19889	18193	38900	18662	16822	13234	30834	22286	34236	10262	503	396	0	17755	26764	477	23936	21307	22297	21309	11149	418	5414	5550	8370	25607	0	11482	15704	12933	7309	5534	4825	7398	9866	23892	17111	37537	44022	21570	18342	16557	24382	19680	0	9186	14585	17667	16035	7771	6736	18617	6721	3475	19322	10239	8248	50881	25937	14362	44462	18135	41558	486	20760	17289	7515	6771	7604	19189	8963	11564	0	18848	4749	0	17216	6834	Phytochemical	0.13333334	1.2666667	0.06666667
14	C12 H23 O2 N1 S1	246.15222	246.1525	0.006106872	246.15222	16676	19632	15799	16006	0	0	46066	21434	0	0	3139	24845	0	0	18179	45522	272183	0	0	0	1530	5777	10934	20383	28019	0	42293	0	35937	36113	45583	34669	79498	3347	0	24195	38402	20183	371878	0	0	2848	0	0	0	2063	0	0	45993	19103	18521	16246	1373	0	0	0	2040	57091	0	0	28038	0	0	0	3301	0	3319	323280	0	0	5734	29278	5555	13479	35116	31624	0	21133	15174	0	8723	0	0	0	0	3900	57471	2930	7466	43156	3700	0	23187	0	0	0	16965	20436	0	0	0	64269	19888	0	0	95267	0	0	36101	0	Organosulfur	0.16666667	1.9166666	0.083333336
16	C12 H23 O2 N1 S1	246.15222	246.15248	0.10731526	246.15225	2445	3562	2313	0	0	0	5202	3594	0	0	0	3115	0	0	3115	12972	56077	0	0	0	0	2751	1577	5323	3711	0	6186	0	4114	5238	3837	3909	6926	0	0	4257	3876	1505	45182	0	0	0	0	0	0	0	0	0	5102	3922	1834	3072	0	0	0	0	0	12156	0	0	0	0	0	0	0	0	0	32883	0	0	0	0	0	1939	5239	5562	0	2231	0	0	0	0	0	0	0	0	1535	0	1592	0	0	0	0	0	0	0	0	2663	0	0	0	11560	1330	0	0	29492	0	0	4260	0	Organosulfur	0.16666667	1.9166666	0.083333336
0	C12 H23 O2 N1 S1	246.15222	246.15263	-0.19308984	246.15218	19712	20030	22400	20606	0	0	14327	91082	0	0	0	2854	0	0	0	67872	18382	0	0	0	0	0	0	27778	17555	0	7864	0	106997	27301	49924	27736	82858	23619	0	54590	142440	0	32238	0	0	7676	0	0	0	1301	0	0	155181	31854	17548	19032	0	0	0	0	0	86735	0	0	110735	0	0	0	0	0	0	25328	0	0	5866	53587	19476	6245	18568	56638	0	2168	0	0	0	0	0	0	0	0	0	12350	9832	0	0	0	0	0	0	0	17883	23603	0	0	0	107697	0	0	0	73096	0	0	4537	0	Organosulfur	0.16666667	1.9166666	0.083333336
0	C9 H19 O3 N5	246.15607	246.1565	0.089930646	246.15608	0	0	0	0	0	71737	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1820	0	0	15894	2391	0	0	0	7541	0	0	0	0	0	951	0	0	1913	0	0	0	0	0	0	0	0	0	0	1388	0	1610	0	0	1583	0	0	0	0	0	0	0	0	0	1111	0	0	0	0	0	0	0	0	0	0	0	41489	0	0	0	0	0	0	0	0	0	1884	37072	5764	1660	0	0	0	0	0	0	0	0	0	0	0	0	1890	0	0	0	1837	Peptide	0.33333334	2.1111112	0.5555556
4	C14 H19 O1 N3	246.1601	246.16052	0.06940354	246.16011	2813	3323	4541	3518	0	1088	3536	4822	0	3193	1667	2487	0	0	3744	7443	6842	663	1132	3119	3596	3378	3774	8527	6276	730	2331	3171	4479	2282	3350	4002	4030	3652	3995	4170	4186	3745	8071	2364	1358	1631	0	0	0	1989	3119	0	4501	4679	3898	3405	1385	0	0	0	925	6502	0	0	5374	1290	0	323	0	568	1372	7551	0	0	0	4062	2465	2719	8243	2787	0	2638	7095	3725	6210	0	351	2157	0	1027	5926	3267	2153	20859	2068	841	15872	2358	3195	0	3874	3600	0	0	0	2986	2660	1690	0	6657	0	0	7255	0	Unclassified	0.071428575	1.3571428	0.21428572
16	C12 H23 O4 N1	246.16998	246.17024	0.040630274	246.17	8655	7126	8271	8608	2969	10023	15831	20104	2579	3964	2795	3857	3945	14349	5584	8171	6546	2733	3286	0	0	4685	28179	61175	5286	0	10368	6464	9187	28180	17731	13730	7786	8606	1624	14846	3368	6060	6875	1692	0	9671	6322	922	1725	11043	2649	1312	12095	35132	7477	9313	1610	8684	0	2525	1756	12127	0	4783	12992	0	26899	0	17606	12338	10107	7566	0	0	0	35809	15724	21184	8212	15674	2084	2436	36096	14511	27828	1859	5786	8448	0	16735	86644	4913	5131	54574	19332	5349	0	1259	4385	1844	8268	10215	2769	0	2643	5254	3224	0	6263	23659	1824	1019	4374	8997	Lipid	0.33333334	1.9166666	0.083333336
18	C12 H23 O4 N1	246.16998	246.17024	0.042566832	246.17	4608	3631	5162	4579	3711	3701	37802	12583	0	0	4168	5461	1869	52009	9562	11118	13482	0	2691	0	0	0	3046	7328	7675	5949	32352	12449	13771	13822	30080	18727	13259	18992	0	12409	9830	8093	16331	0	0	5327	6194	895	1263	4740	2948	607	12585	8402	6657	7691	2229	2244	0	6071	7463	13618	0	3068	13910	0	5612	0	39812	5933	19588	13225	0	1837	0	14129	14885	15968	17555	13184	1695	3035	2562	19138	3948	3822	54442	42704	2177	3767	8433	3571	3551	8235	8069	6260	3201	3720	1417	1053	5463	9283	3126	0	3783	12729	3849	0	3598	7914	1439	922	4546	2005	Lipid	0.33333334	1.9166666	0.083333336
4	C12 H23 O4 N1	246.16998	246.17041	-0.018946234	246.16998	30529	32518	29712	26152	364473	46014	11492	20270	9444	10543	7532	13046	12816	10838	27418	62032	54476	27167	17661	11630	11042	21188	12572	27112	13961	1553	36720	88529	29783	25946	21029	30747	39231	30097	23812	27702	39445	31285	58771	6482	8601	19963	1303	0	0	12005	58028	0	47578	14764	31775	24897	153821	937	10831	11959	18077	39820	6598	7105	26597	3133	16957	6566	10899	29527	23455	47505	2715	5813	3702	16930	31914	22062	39895	22355	399	13050	25114	14023	13918	6519	12808	4772	8951	31481	49836	44753	21111	206748	62139	40618	39600	8106	8642	0	28295	30269	136280	10693	19223	32312	14020	17323	8013	26372	259004	0	15764	13008	Lipid	0.33333334	1.9166666	0.083333336
20	C12 H23 O4 N1	246.16998	246.17026	-0.002556055	246.16998	3859	5748	5440	7048	2140	3478	10179	4109	0	0	5950	4202	0	282235	2384	4878	13877	0	0	0	3034	0	1930	2822	3043	0	26722	8601	3709	6125	3445	4651	2519	10538	0	4568	1935	1794	10707	0	6020	3471	12319	3162	3101	2223	4871	2822	7390	5606	5822	6317	0	4787	0	10256	5822	4756	1274	6151	14100	3365	103066	0	350435	2542	34721	16446	8876	2542	7051	1949	3648	4607	10171	1967	11180	2920	0	49968	1538	19217	6604	0	0	2589	0	3064	1349	4328	20499	7094	0	2626	0	3447	6455	7148	8259	0	1559	4574	1460	1816	8265	2027	1284	3106	1704	8274	Lipid	0.33333334	1.9166666	0.083333336
10	C12 H23 O4 N1	246.16998	246.1703	-0.00682935	246.16998	4726	4681	4031	5837	3341	2992	4391	8497	1374	1279	1313	2251	3699	12505	2978	10184	8069	4453	4282	0	2128	3363	2266	6121	3985	3041	5112	6722	7456	8050	5219	4627	6901	4886	1227	7285	7495	1616	10618	0	0	3540	1597	0	519	2494	0	0	7703	3000	4606	4744	2048	1353	2037	2120	1385	10510	0	1414	8959	0	3995	1209	6321	4598	5897	12402	0	0	0	3914	6547	7835	6382	6639	720	2809	2418	7811	2078	2123	6032	5416	4281	52287	5142	3595	2568	8423	24636	13408	4720	2676	1562	0	2196	3901	4372	1946	5307	7352	1793	2448	0	4347	3348	0	4736	2940	Lipid	0.33333334	1.9166666	0.083333336
14	C12 H23 O4 N1	246.16998	246.17032	0.058270227	246.17	8072	6387	5723	6992	3436	17938	11828	6347	0	27039	2571	1778	8271	205846	3753	10954	7640	4359	4302	0	6620	0	3036	4300	3993	43675	8693	0	5989	7878	3019	11561	15020	6028	11934	7196	3368	1469	5101	0	0	8629	16722	1141	1311	7010	7389	700	23869	14831	4826	3641	1453	26541	2095	13806	1467	11856	0	12719	19044	3470	33597	0	119810	22239	54740	8478	17064	7959	4271	7283	4756	7068	5651	17576	1174	2020	1695	0	2188	6961	21116	34175	1739	5480	7541	5830	4099	4296	13318	4990	13591	3621	16238	1820	4156	8620	4612	0	2506	2275	2064	2185	0	7018	1900	772	5072	56800	Lipid	0.33333334	1.9166666	0.083333336
6	C12 H23 O4 N1	246.16998	246.17038	0.0307171	246.17	12390	10649	9355	11597	33261	9149	9920	10548	7839	4487	2959	6568	22445	6884	8081	13169	8130	17325	14127	5337	4899	12871	9436	19893	13777	1194	8346	36837	21666	15925	13561	20084	34545	14907	9185	16395	30560	7476	13191	2271	2711	7541	0	0	289	5641	2526	0	29572	7583	13184	13240	17263	613	9762	4638	3215	24773	0	1292	22062	1371	8350	5951	4317	21813	17257	13472	0	3101	0	11648	16256	15850	7037	17085	442	6138	10694	6647	15724	2404	2840	2115	5381	5210	13012	15283	10777	20368	31930	21972	28693	2010	2077	0	12880	12231	4256	6312	7026	27908	5317	5316	0	24562	21340	0	13876	13831	Lipid	0.33333334	1.9166666	0.083333336
12	C12 H23 O4 N1	246.16998	246.17032	0.023729108	246.16998	5252	6103	7111	7726	3840	6754	51184	6827	0	2038	6322	2596	3886	298190	5859	9091	12327	7500	7333	4090	4493	0	6843	0	8982	59970	10826	0	14159	4749	7558	9276	6792	9716	3092	9152	4135	5017	18826	1510	6837	7639	12045	765	846	6393	8273	508	4057	2346	6561	7752	2530	1439	1245	19762	5715	9185	0	14119	0	4169	91581	0	201401	6983	68049	15530	0	14712	13691	6369	10583	9244	2207	8736	534	4101	2248	19641	3978	30351	74809	155364	2741	7428	7745	6266	4802	4338	25531	13420	6690	2915	0	2340	6086	12329	17812	0	2088	4965	3478	3856	0	6967	2332	644	4736	18049	Lipid	0.33333334	1.9166666	0.083333336
8	C12 H23 O4 N1	246.16998	246.17035	0.049961235	246.17	6859	5568	8533	7444	10563	3855	4145	5905	5583	2784	2234	3900	8243	6264	2744	7945	9208	5870	5947	2626	1979	5784	6160	6824	7587	1714	3823	35381	9269	6305	5966	6154	9243	6317	4180	8128	8782	3568	10965	0	2429	4509	1032	0	448	3516	2116	0	9720	4010	4902	5101	4638	960	3697	1830	2545	7856	1366	1950	7835	0	6874	3105	4410	4148	6929	10693	0	1771	0	4809	6353	7818	2917	8382	422	2708	3768	8163	2780	1416	2705	1793	4998	5410	7075	3727	4844	8579	33023	12977	8083	2188	1788	0	5437	4871	2685	3338	5557	5765	2557	4077	0	7048	3718	393	4561	8938	Lipid	0.33333334	1.9166666	0.083333336
6	C11 H23 O3 N3	246.18121	246.18158	0.007157532	246.18121	24852	26476	23105	21937	717	8621	19353	2554	0	8918	6741	73209	0	0	20357	5253	22545	1727	2628	1477	2241	0	672	0	16620	0	23728	0	16949	12681	17040	76316	192533	31244	6170	23458	131437	20499	97657	0	0	56463	0	0	0	0	0	0	39991	2968	26413	26576	15726	0	0	0	21949	21135	0	0	4851	0	0	1513	10918	9453	16513	150532	0	0	2392	5430	63500	23431	94176	69070	0	35893	0	0	0	0	0	0	0	6187	712	105214	84489	0	0	0	0	0	0	0	25001	12694	1221	0	0	174074	45482	0	0	2948	0	0	3247	909	Peptide	0.27272728	2.090909	0.27272728
0	C11 H23 O3 N3	246.18121	246.18166	-0.15484329	246.18118	8009	10861	8406	7964	2966	0	5759	11708	3576	2507	3403	6272	3958	6112	6605	4714	20356	6809	5239	2061	1485	2065	2736	4746	5864	0	2034	25459	19512	20904	24166	15013	22485	12493	5347	19328	12982	6260	32167	0	0	12682	0	0	0	1575	0	0	19412	5969	10014	6648	5985	0	3711	1557	4082	10129	628	906	5722	0	2530	2118	3282	5471	12550	25338	363	0	0	8532	176609	17585	3527	43761	0	8692	2187	55927	1960	0	0	0	3304	10592	3871	6431	13054	5405	37018	13744	4694	3735	0	0	8526	8781	2747	1791	3503	11107	4950	2108	0	6901	2357	0	6414	8144	Peptide	0.27272728	2.090909	0.27272728
4	C11 H23 O3 N3	246.18121	246.18158	-0.1192722	246.18118	1894	2390	2914	1856	1137	4586	4689	7643	0	1590	1700	28898	2576	0	4328	10199	90471	500	430	3709	4372	0	602	7014	15499	0	3610	12709	46509	40176	49699	17227	13470	40386	0	68328	59977	4016	34567	0	0	25236	0	0	0	0	0	0	44715	8602	2316	1317	1167	0	0	0	1032	3106	0	0	14200	0	748	0	4173	4607	10354	6912	0	0	0	29924	70117	45557	2503	12143	0	14154	0	0	0	0	353	0	0	9152	364	7978	11885	0	3546	0	0	0	0	0	3041	4669	0	340	0	29369	5532	4082	0	4852	0	0	2301	2041	Peptide	0.27272728	2.090909	0.27272728
2	C11 H23 O3 N3	246.18121	246.18164	-0.002379364	246.18121	3881	3817	5576	5284	2275	0	4476	4466	1207	1303	2014	2246	4816	1717	2320	7668	10858	3682	5323	1145	1433	892	1068	5799	2934	0	4287	4442	7653	6871	4828	7475	10895	14522	2522	7316	9045	1708	13044	0	396	0	0	0	0	999	365	0	9369	2681	4166	4104	1324	0	1834	544	634	6251	0	0	6235	0	3128	1538	0	5197	5187	16304	0	0	482	7282	32116	6099	8224	5149	0	2905	1372	9224	1277	0	445	0	1600	1520	1789	5279	4823	2818	10801	3257	4222	2934	0	0	5236	4793	884	792	877	8788	2796	1542	0	4591	1137	0	4413	31462	Peptide	0.27272728	2.090909	0.27272728
4	C14 H24 O1 N1 Na1	246.18283	246.18329	0.71869177	246.18301	659	950	683	548	0	595	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8987	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50672	0	0	0	0	0	0	0	0	0	0	36662	10857	0	3651	0	0	0	866	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.071428575	1.7142857	0.071428575
6	C14 H24 O1 N1 Na1	246.18283	246.18332	0.35408938	246.18292	0	0	0	0	0	649	0	0	0	0	0	609	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2936	0	0	0	0	0	0	0	0	0	0	23485	16908	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.071428575	1.7142857	0.071428575
24	C16 H23 O1 N1	246.18524	246.18552	0.06975369	246.18526	3147	3396	2639	1729	0	0	0	1203	0	2217	4366	0	0	0	0	0	1644	0	1311	2521	2264	0	0	1593	0	43091	0	5627	0	1875	1774	1251	0	1188	1553	2199	1620	1262	1055	3847	6550	0	0	0	0	17963	26311	0	0	0	2071	2746	0	0	0	0	0	2019	1184	2129	1669	2757	0	0	0	0	0	0	28500	12770	21091	0	0	2203	3578	1121	0	0	7781	5259	832	14873	1324	4650	0	0	64127	0	0	49799	1460	0	0	2973	0	0	3417	2164	0	0	0	1242	0	2041	12385	1480	0	0	0	0	Lipid	0.0625	1.4375	0.0625
8	C16 H23 O1 N1	246.18524	246.18561	0.005966216	246.18524	9023	9416	6227	7716	781	2324	3087	10690	0	18178	10889	6328	1897	1634	4214	9872	5479	0	1875	19363	20368	1748	4778	9150	4118	17973	5386	16812	7263	10202	10522	12307	7398	11743	17154	9208	9973	5501	2913	6961	0	2148	0	0	0	2941	5072	0	13415	11456	5282	7518	1639	0	0	0	941	9308	0	0	9783	0	1117	801	0	1437	5922	11786	8557	13758	13765	11275	9658	12425	9940	12214	0	7215	2083	3460	4000	0	0	8240	0	0	2324	3525	3158	17571	0	0	14466	5061	16146	0	6268	4796	0	0	0	8495	5720	0	0	6836	0	0	2552	1262	Lipid	0.0625	1.4375	0.0625
20	C16 H23 O1 N1	246.18524	246.18552	-0.0899456	246.18521	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1620	0	0	0	0	0	0	0	0	2195	0	0	0	1389	1484	0	0	0	0	0	2921	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1615	0	0	0	0	0	0	66154	0	0	1359	5157	0	0	0	0	0	0	0	56945	0	0	57347	0	0	0	0	0	0	1851	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0625	1.4375	0.0625
6	C16 H23 O1 N1	246.18524	246.18561	-0.029493792	246.18523	18200	22344	15977	19047	1052	3648	9865	38429	828	28018	14590	14387	575	1915	14715	39760	24406	2558	5081	33505	32094	4317	13692	41947	10614	9782	11414	13585	28442	31513	34843	38570	25225	32429	28485	33411	25450	17303	18557	13709	0	6137	0	0	0	11688	8705	0	36772	34956	19350	16177	3368	0	0	0	2632	36465	0	0	36581	3938	615	0	2824	2666	7840	38695	5816	9383	8807	37058	35683	42966	34073	35418	0	15557	9059	6686	12548	0	0	11445	0	1265	8417	8533	8883	45999	19297	0	49802	10070	25835	0	19399	16160	18230	0	0	26888	14849	7540	0	32097	0	0	10351	0	Lipid	0.0625	1.4375	0.0625
22	C16 H23 O1 N1	246.18524	246.18556	0.012139039	246.18524	0	2170	2351	0	0	0	0	1713	0	0	0	1031	0	0	1409	0	0	0	0	0	0	0	0	0	0	3846	0	0	0	1492	2026	0	0	0	0	1867	0	0	0	0	0	0	0	0	0	1551	3972	0	0	1298	1521	1648	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5409	0	0	3378	18930	1833	0	0	12054	0	0	2422	0	0	0	0	84784	0	0	56041	0	0	0	0	0	0	0	1647	0	0	0	0	0	0	1341	0	0	0	0	0	Lipid	0.0625	1.4375	0.0625
4	C16 H23 O1 N1	246.18524	246.18567	-0.022512563	246.18524	17901	19540	21348	18109	785	3385	13898	58256	2637	18852	8854	21182	0	1535	19582	46967	30562	1744	4276	34138	29854	5278	17204	53030	17564	5717	19127	10867	37523	34616	40535	48070	32276	38007	18252	47450	31618	19815	31107	18836	2829	5426	0	0	0	9609	9588	0	52344	55390	19733	17671	1986	0	1036	1206	5232	35911	0	0	39302	8159	0	641	2623	931	6613	43084	3217	5045	5254	44667	39132	59293	43014	34755	0	21582	15278	7376	21923	0	581	16270	517	1455	10376	7516	7573	47293	19175	0	55167	6673	26760	0	18447	18219	3533	0	0	30803	17067	16375	4080	35476	0	0	16162	0	Lipid	0.0625	1.4375	0.0625
14	C13 H27 O3 N1	246.20638	246.20665	0.0398625	246.20638	0	0	0	0	0	0	0	0	0	0	4783	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15818	0	1231	0	0	0	1975	0	0	0	0	0	1475	0	0	0	0	0	6883	0	0	2093	0	0	0	0	0	0	0	0	1725	0	0	0	1833	0	0	0	0	0	0	0	1730	0	0	0	1749	0	0	0	0	0	39360	0	0	0	0	0	0	0	0	0	0	25506	3263	0	4223	7029	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23076923	2.0769231	0.07692308
12	C13 H27 O3 N1	246.20638	246.20644	-0.061795745	246.20636	0	0	0	0	0	0	0	1166	0	0	0	0	0	746	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3618	8227	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1355	0	2258	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35402	3969	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23076923	2.0769231	0.07692308
24	C14 H31 O2 N1	246.24275	246.24303	0.2694713	246.24283	1243	1965	0	1802	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	939	370188	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1547	1445	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.14285715	2.2142856	0.071428575
16	C14 H31 O2 N1	246.24275	246.24297	0.098738655	246.24278	2381	4630	3597	3214	0	0	0	0	3496	0	0	0	0	0	0	2977	0	0	0	0	0	0	0	0	0	0	0	0	2057	0	0	0	0	0	0	0	0	0	0	0	0	0	1297	458	977	0	0	0	0	0	3074	3090	0	3015	0	0	5440	24828	0	0	0	0	0	0	0	0	1394	0	0	2955	0	0	0	0	0	0	650	0	0	0	0	0	0	0	0	0	0	3793	1207	0	0	0	0	0	0	2010	2598	2879	0	0	0	0	0	0	0	0	0	515	0	0	Lipid	0.14285715	2.2142856	0.071428575
20	C14 H31 O2 N1	246.24275	246.24309	-0.071213864	246.24274	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31782	0	0	1833	0	0	0	1379	0	1302	0	0	0	0	0	0	0	0	295	0	0	0	0	0	0	0	0	528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1973	484	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.14285715	2.2142856	0.071428575
12	C12 H6 O6	247.02371	247.02408	0.117902525	247.02374	5307	7049	2042	3840	12788	7774	0	1378	9720	0	2533	5560	16248	10939	5101	4510	2527	15343	19026	0	0	0	8163	2756	1264	0	0	0	3938	1770	1728	4110	4701	1804	1949	3203	1929	6154	0	0	0	13352	0	0	532	0	0	586	2031	2350	4257	4389	9071	0	10494	5420	10374	4364	0	0	0	0	24788	11718	9335	18162	8093	0	0	0	0	2762	2752	2444	4494	1935	233	3562	4563	0	4341	0	0	0	8705	5786	7817	10267	12675	6829	3357	0	4186	0	1584	554	3917	4346	9477	11318	10533	4697	4612	0	0	5749	6263	0	1211	20718	Phytochemical	0.5	0.5	0.0
16	C12 H6 O6	247.02371	247.02402	0.14295533	247.02374	2634	4560	5980	2361	12099	11569	2893	3066	10195	1781	0	2881	15365	10884	2712	3869	3848	24237	16792	0	0	0	5368	1869	1670	0	3618	0	1616	2311	2025	0	3451	3168	1754	0	7246	3874	4064	0	0	9501	606	0	682	0	0	856	3302	1587	5004	3283	11787	301	6430	6768	5569	5585	0	0	0	0	16792	10200	5794	18783	13183	3301	0	0	0	3106	0	0	1826	1360	539	2414	6315	0	3591	0	0	0	12133	6563	10582	11156	14055	0	0	0	0	0	0	908	4486	2301	5283	9981	10561	3747	2831	1670	0	0	6497	561	2090	19084	Phytochemical	0.5	0.5	0.0
14	C12 H6 O6	247.02371	247.02405	0.0794248	247.02373	4632	4401	2520	4782	17001	11517	2128	3593	16373	0	1981	4870	27148	10689	4793	3226	3800	23005	23663	0	0	0	5466	0	1836	0	4000	0	1896	2229	2277	0	4494	2311	3143	1540	4889	3776	3861	0	0	9203	0	375	553	0	0	727	0	2240	4928	3068	7336	537	11067	8049	9105	2886	0	0	0	0	23784	13292	9980	23157	11148	3514	0	0	0	2283	1442	2169	2069	1351	429	3610	6055	0	4664	0	0	0	17031	6195	7561	10720	17896	3816	0	0	2660	3098	0	505	4719	5233	9884	12321	13617	4719	5255	0	0	6837	7206	0	2710	24491	Phytochemical	0.5	0.5	0.0
14	C13 H10 O5	247.0601	247.06044	0.06811886	247.06012	122937	125356	98990	118598	215216	150251	84098	84920	219783	100285	73926	73003	298555	144482	102593	107995	100065	336596	292912	87505	89369	129014	117903	82292	78243	28001	76928	54197	87189	80467	69287	95981	142236	75046	141172	84361	125387	86787	96261	61690	68672	124891	10220	6972	9616	58725	52447	11128	85032	58286	111185	112852	177470	8116	223957	148913	118095	142753	69863	45074	96530	50946	278556	204063	102179	275439	148367	93448	27566	59231	55788	65632	75744	66487	75496	85885	6849	73031	137255	70045	115584	60373	39848	35882	179968	117693	156946	141722	172297	121129	81515	78461	102086	70374	89553	13791	110982	106568	142230	179350	188388	122440	90334	63830	34552	90475	130125	7235	82285	265657	Phytochemical	0.3846154	0.7692308	0.0
20	C13 H10 O5	247.0601	247.0604	0.07581899	247.06012	35965	38602	27817	33024	68762	38947	21043	23955	55112	22244	18975	22289	85612	41352	35082	29795	22771	80108	76051	22729	22368	38941	36148	36172	26376	14650	21332	16513	25221	24170	23860	25764	39611	21189	34108	18398	41939	30880	18244	17568	19897	37400	9815	8342	9818	29467	20722	12529	28243	19140	36677	31302	48628	7264	62171	42964	36998	39775	13959	16902	32715	12484	74307	51344	29375	74391	37747	23412	16451	14192	19721	21343	26613	19446	20306	24772	7576	20043	51544	21326	42382	21567	15782	14088	55389	35901	53334	46740	48050	34495	31848	25739	38600	19488	16375	13556	34502	32467	46095	51211	57918	38523	24084	26218	23431	29515	37806	10193	37645	84259	Phytochemical	0.3846154	0.7692308	0.0
6	C13 H10 O5	247.0601	247.0605	0.086168155	247.06012	20826	25000	15796	22497	35706	15409	14131	15355	46140	23324	25133	12349	41894	19447	12301	16161	15599	45405	48278	13717	25455	25894	18354	15484	7024	7082	11243	9978	15004	13268	12409	15898	18485	10165	32343	13589	16985	14445	18062	13430	21945	22562	5794	4106	7953	18026	18418	6884	13566	10765	19032	21648	27048	5736	41981	40736	23577	19034	10813	14164	17697	8297	51521	34377	17825	33193	20398	19962	17856	12056	21058	10613	11154	12206	8687	17860	5978	10957	17049	9792	19811	15915	11080	7550	36379	23671	19947	20367	30368	18625	12586	11593	16144	18398	17173	8282	18027	18276	33374	48748	51795	24733	18569	15049	13402	14194	34655	5114	9415	48313	Phytochemical	0.3846154	0.7692308	0.0
8	C13 H10 O5	247.0601	247.06049	0.06713127	247.06012	45516	47956	30410	44172	74533	39941	25568	26264	84407	45162	45088	27837	97771	42434	24606	32778	35595	92282	95645	35829	52824	56628	39554	30108	14995	12849	21274	21866	21448	22564	23032	28515	37845	20024	67235	23456	37019	26101	40212	35565	48100	39913	7007	5115	9025	28150	33398	8123	28103	22490	41626	44486	57121	6664	90944	71297	41320	34919	23009	26335	31238	22777	107080	85197	33189	83564	40484	36168	28329	19270	35807	24215	22866	19414	25227	30853	6682	23793	46097	27984	36923	25032	18880	16995	73313	37700	46408	45499	62703	39922	25397	31245	32251	44259	40256	9049	44131	46247	74008	100025	93092	42392	31374	25839	16280	28522	63747	4846	22273	112034	Phytochemical	0.3846154	0.7692308	0.0
18	C13 H10 O5	247.0601	247.0604	0.060698554	247.06012	71605	64278	63104	59731	98861	85710	46773	49012	85815	41789	32798	43328	144702	95580	60050	64828	47274	176162	149428	38648	40826	62321	73805	58489	60011	20649	52383	37570	54739	37484	46612	52478	89951	54567	57094	44715	101464	59435	49930	31987	28895	70081	10073	7042	10526	35785	29827	10597	57386	30912	67501	63093	82834	7168	110129	75412	67086	89594	30045	20287	64302	20205	130716	84807	56196	136366	83022	52320	24708	27194	29317	45012	41696	31865	31981	52469	7635	41515	103751	46050	83437	42902	27232	20412	99849	86285	99092	87343	96678	64714	54692	49680	69128	33241	37377	13723	62635	68617	81175	84416	80112	86467	48152	35365	19865	57010	62731	9065	60943	131501	Phytochemical	0.3846154	0.7692308	0.0
12	C12 H10 O4 N2	247.07133	247.07167	0.05061558	247.07135	37909	40755	44943	36899	36750	25870	44096	46823	29342	31506	18668	30182	26309	18009	32567	60491	73876	50225	55610	16956	23815	66202	41184	59732	32032	6528	29931	12807	37558	25474	37197	32195	64889	38203	28466	26877	52157	37079	101449	23163	34570	40323	1409	1141	1043	27495	20735	1203	45942	33373	43156	42872	37006	1405	33650	16151	24603	63693	13153	26556	45795	11927	37475	33336	21330	42695	34730	85169	0	15505	17313	34376	31472	18793	39734	33009	481	31573	56721	30862	44198	18211	17323	9770	24065	23146	72817	44963	36738	177427	80302	93631	102740	30751	30405	1278	37824	34199	20051	20179	21813	55212	29858	17298	0	70631	18428	1122	52628	49421	Unclassified	0.33333334	0.8333333	0.16666667
14	C12 H10 O4 N2	247.07133	247.07166	0.05638366	247.07135	20510	17357	22515	19516	16562	17075	24134	24330	14927	12433	10594	18309	16614	8316	17307	34669	43335	31104	35515	7531	15013	30994	22494	30625	19044	2486	24859	13340	17107	20676	19302	25668	39932	24287	9773	20984	32540	19346	48185	13015	31795	22253	0	865	779	10639	9107	1078	29306	24186	18666	19636	23116	2700	16504	7660	15036	41328	9095	20810	34493	8563	15400	17914	12832	24789	18411	50105	0	6670	9813	19293	21453	14895	29913	22804	522	20986	32228	19205	26797	10163	15705	8165	12628	11670	43246	28677	23460	83408	20071	18648	60312	13074	16496	1203	20726	19168	11046	11735	9231	36152	19823	14859	0	40030	9207	645	29068	19910	Unclassified	0.33333334	0.8333333	0.16666667
16	C12 H10 O4 N2	247.07133	247.07166	0.09317759	247.07135	13157	15684	9781	14022	9628	9379	14883	16405	6785	4954	7751	12969	5950	5409	10670	20580	20470	19575	17754	3583	3803	25593	12644	23706	13660	0	13500	3958	13077	9619	10857	12358	22652	14312	3655	6851	24480	11191	31456	4932	12068	18774	1616	1041	1019	6047	6266	1348	18298	11848	12808	7737	13511	2587	7446	3707	9518	23980	1764	7894	22252	3415	7448	12260	7367	11650	14222	24997	2827	2549	3878	12977	9836	6220	10606	10390	708	11983	22983	10064	19775	7673	3270	4083	8117	8618	30004	25052	16259	61390	11742	11372	40009	10087	10330	1291	13180	8896	6532	5323	7767	15484	9949	4503	0	29075	4231	962	19304	16455	Unclassified	0.33333334	0.8333333	0.16666667
18	C12 H10 O4 N2	247.07133	247.07162	0.039029974	247.07135	5101	4994	4729	2510	4222	3726	5780	6480	2035	0	4191	3587	2259	2922	2998	8999	7721	6836	4184	0	0	9080	6078	13588	4178	0	4638	0	4038	5007	3986	6875	6908	6429	0	2889	9521	6074	12969	0	5178	5450	714	818	1104	3224	3170	1214	8738	5079	5790	5883	3271	1311	0	0	2490	14545	1204	4705	8994	1543	2179	2729	4611	2810	3437	10594	0	0	0	6600	4022	5046	5764	4703	846	3434	13777	7188	10540	0	1764	0	2047	2210	10683	9120	5674	47263	3413	0	19400	3540	3074	982	3586	2794	2448	0	2015	6313	3600	1956	0	10915	2596	796	9670	2123	Unclassified	0.33333334	0.8333333	0.16666667
10	C12 H10 O4 N2	247.07133	247.07169	0.055877823	247.07135	56196	58158	49417	48976	43461	34514	35399	45511	33484	31709	26399	58735	43103	21388	39271	73844	130950	62819	74228	20292	37523	71847	61626	69999	31614	7754	41525	20721	36681	39342	44873	44711	80778	35955	31187	34553	81985	51703	157343	25111	43488	46694	1895	669	891	28763	23013	1218	55276	37447	57924	53192	51675	1397	46206	24429	35934	75643	15297	34269	76117	17337	44574	44852	31556	58940	44039	155016	18626	19693	27169	41935	33658	21713	61109	36498	714	40168	82629	31266	65221	18971	19013	11499	39297	33356	81466	88516	54012	245421	42679	56557	168367	31935	33412	1267	52982	53408	30089	34468	33957	65347	46151	30539	0	91001	28230	733	53442	53545	Unclassified	0.33333334	0.8333333	0.16666667
6	C12 H10 O4 N2	247.07133	247.07173	0.04978435	247.07135	25523	25810	18934	21011	33091	16372	11251	15224	40299	18027	18186	13735	38866	12422	17510	23636	24859	42454	46902	12903	17703	27768	21126	22591	10950	3541	13571	10418	11771	10726	14967	15193	29553	13142	21215	11830	23621	18916	36678	10928	22648	20063	0	477	566	14839	15554	551	16144	12327	22963	22788	28686	553	37202	22688	17659	23161	7371	14837	25857	9343	42372	30214	11995	34773	21234	35631	7022	9126	13899	11193	10177	8243	10704	11137	337	10602	21095	6669	17196	8530	6373	5844	33683	16928	22917	33486	23070	56330	8093	16051	49316	14482	17011	801	21274	18655	22135	34050	30314	25491	16643	12194	9575	28660	18006	0	14698	53260	Unclassified	0.33333334	0.8333333	0.16666667
8	C12 H10 O4 N2	247.07133	247.0717	0.015323164	247.07133	45576	53572	37223	54341	46071	33828	29634	38261	50084	30606	23138	37494	54011	18897	32939	73422	77063	66195	79377	20947	28182	83286	50019	60641	25131	6513	43144	14323	30630	27898	35284	37944	48130	36638	40659	28292	66757	37422	92933	23622	44090	46761	978	455	607	26119	23442	687	49440	33058	43564	52311	54159	751	59445	30403	36198	54441	16062	30252	62700	17185	62114	50983	28523	60643	47033	81016	12323	15645	18725	35335	30992	12249	41130	37103	399	32158	62448	20438	50054	19087	23259	10935	45464	24290	58306	74830	50844	177342	17187	29855	145848	25768	29805	1066	45361	43659	31197	44612	42241	64560	31582	29007	7820	82857	28623	0	47304	70292	Unclassified	0.33333334	0.8333333	0.16666667
28	C15 H11 O2 Na1	247.07295	247.07288	0.4912416	247.07307	0	875	0	0	0	0	0	0	857	0	0	0	0	125282	0	0	0	0	0	0	0	4166	0	0	0	0	0	0	0	0	0	0	0	0	2011	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1231	0	0	0	0	0	0	0	0	0	0	23085	0	1377	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1623	0	0	0	0	0	0	0	1417	0	0	0	0	0	0	0	0	0	0	19105	Phytochemical	0.13333334	0.73333335	0.0
6	C10 H14 O7	247.08122	247.08163	0.119575866	247.08125	7227	5958	4434	7798	15142	14363	4800	4950	15728	1784	5771	3154	33814	10836	7528	6025	6330	22546	16403	1808	1493	2244	4987	3568	3257	0	3993	0	6423	4496	5443	6801	8975	7130	3242	5928	8857	6247	8186	0	1550	8633	732	0	387	2099	0	319	6642	5285	5842	6467	10846	800	17636	11513	6398	6070	1411	963	6241	0	24994	11017	6178	20452	11751	15519	0	0	0	6954	7363	7286	1641	5312	0	4367	3478	0	2983	778	1418	0	14461	5990	3447	7967	9751	2303	4207	4922	4356	2860	1482	727	6219	6746	8980	12940	16874	11125	6111	1709	0	5067	10650	331	2635	28603	Unclassified	0.7	1.4	0.0
8	C10 H14 O7	247.08122	247.08159	0.04562805	247.08124	7755	7836	5374	7524	21242	23293	4438	4034	24685	2129	6642	3944	47575	14241	8340	5787	8938	29756	23776	3560	2997	2457	5965	4000	3649	0	4195	8781	5858	6322	6551	7494	7790	6457	3638	5506	9662	5808	8557	1363	888	11220	1018	364	898	1668	0	602	3730	4825	7804	9176	15695	853	23671	12962	8112	5024	1364	1571	5447	0	35645	20610	9186	28728	13603	23532	0	0	0	6835	6005	5361	4733	7418	474	4403	3568	12804	1978	1636	1783	0	15957	7136	4934	10512	14371	2660	0	0	3232	8158	0	849	6626	8868	15190	19704	19517	9198	4847	0	0	5036	17573	596	2823	39588	Unclassified	0.7	1.4	0.0
10	C10 H14 O7	247.08122	247.08154	0.012133943	247.08124	9084	7453	4689	9573	19187	15983	3419	6638	27510	2557	8125	6462	38271	12766	5594	3890	4689	33636	26444	3275	1440	0	7089	5077	2373	0	2298	6067	6399	4948	5065	7179	10094	4944	2961	8248	10118	3909	6340	0	1375	11813	1645	1039	1380	2453	0	1873	5199	3114	7612	5855	13686	2394	29415	14233	7376	5070	0	1987	0	0	30138	18408	7949	26776	11937	4888	0	0	0	4056	6117	5893	3978	5022	737	3530	3807	13936	2292	1053	2353	1028	18163	10344	4963	9526	11715	2073	0	6394	2266	4972	0	898	7316	7848	10919	15446	18650	11125	5801	0	0	5052	14387	1134	2422	38666	Unclassified	0.7	1.4	0.0
0	C9 H14 O6 N2	247.09247	247.0929	-0.08520179	247.09244	3632	5221	3670	4059	8363	0	0	8283	3512	0	0	1573	12391	7946	2054	0	1604	11820	6637	0	2901	5719	2926	5958	2479	0	0	0	11455	0	6630	7881	15697	10727	2181	7670	9297	1721	1901	1223	0	10511	0	0	0	2167	0	0	8397	2774	4067	2956	8756	0	4071	1839	0	10029	671	0	3050	0	17524	3120	0	8671	16048	1851	0	2320	0	7704	8549	2986	0	5820	0	2823	1333	1921	1467	0	0	1803	1272	0	1939	6049	9968	2830	5425	4725	9825	0	0	0	4126	3829	1152	662	1136	5950	0	1887	0	11346	1609	0	1280	24178	Peptide	0.6666667	1.5555556	0.22222222
8	C12 H15 O4 Na1	247.09409	247.09445	0.13149302	247.09412	430574	488156	294510	425098	427847	273934	331414	385406	526926	413080	331262	308616	461078	268856	334820	434156	916132	479614	599888	559160	544532	500956	377408	421064	242172	538330	328010	281470	380048	344164	325830	376764	439106	300522	654972	349820	425644	318762	1089413	415046	516602	357332	72464	63388	95844	382988	410952	88992	446236	338846	407566	466168	372938	64016	622832	450254	339347	417230	315704	365776	456908	293496	494902	496970	254622	421484	306952	958192	564032	583026	833330	295494	345614	308402	358634	448504	72444	286206	493422	243302	425624	366860	366600	312766	468946	275440	497764	305558	409630	530238	278848	406036	459200	351534	400560	94686	416160	442500	472696	607890	569368	444306	351114	404412	240704	325512	412252	65466	609800	465238	Phytochemical	0.33333334	1.25	0.0
14	C5 H15 O2 N6 S1 Na1	247.09477	247.09486	-0.32042366	247.09468	682364	726463	613792	705215	797454	609182	553400	619987	799391	792467	579285	435943	939626	499323	524202	709267	646709	1158977	1104848	950351	964545	797942	554286	532540	464745	620877	527078	581441	626930	569095	521817	716895	916918	552417	1040843	606058	798802	493608	743871	807197	679225	605954	61362	38445	41287	514063	493882	51109	698349	462252	649853	636968	719569	31892	989777	648955	536446	828024	465301	477279	662758	490669	900349	836996	429143	892856	626061	645154	541898	835392	773269	503526	517278	518650	559335	615769	35034	436051	647550	492600	577721	449023	491593	527079	786271	490863	776516	592793	735555	833179	733773	620646	803650	509441	734861	61768	674089	694987	671955	822647	829808	719924	502166	687284	348931	551118	632166	40706	476141	848690	Organosulfur	0.4	3.0	1.2
10	C5 H15 O2 N6 S1 Na1	247.09477	247.09535	-0.26375604	247.0947	1445	1913	1388	0	1524	1419	0	0	1322	0	0	0	1067	0	1083	0	0	1129	0	0	0	0	0	0	1061	0	0	0	0	1291	0	1195	1234	1659	0	1261	1915	0	1880	1883	0	0	698	0	0	0	0	0	1507	0	0	0	1522	0	1076	1242	1108	0	0	0	0	1445	1048	0	1238	0	2235	2125	0	0	0	0	0	0	21099	0	0	0	1032	0	0	1018	0	4605	863	0	1155	1810	2486	0	0	0	0	0	0	0	0	0	0	1102	1020	2499	0	0	0	1124	1321	0	1085	1441	Organosulfur	0.4	3.0	1.2
20	C14 H14 O4	247.09648	247.09676	6.70614E-4	247.09648	280313	322517	276183	238082	416469	356510	208096	270068	355368	252535	163069	192392	504462	340006	261238	292949	237741	497328	549471	306022	258832	277172	264113	316211	245048	162069	203510	190412	306751	251826	235579	275831	381513	277923	291492	253362	424206	209795	230035	230785	196982	309834	50346	38859	49375	203537	173725	56175	309592	207467	272146	291593	357434	39735	401929	321067	237823	350331	195601	151336	315063	127104	407639	335977	179313	496423	320449	260247	128639	204747	198611	241099	230841	233774	214970	297006	43984	191643	309668	193257	243513	147713	177687	152880	344440	244975	341898	336286	335567	306266	282786	273289	378675	170702	178865	54783	303006	287210	332199	370637	384938	375635	222056	272998	141368	274818	282312	47144	233567	512884	Phytochemical	0.2857143	1.0	0.0
16	C14 H14 O4	247.09648	247.09679	0.009222603	247.09648	631925	703307	623751	627879	803524	608986	485264	555222	709856	743130	503216	642997	975385	552242	515522	660215	559956	1175914	1167004	884389	768912	700920	545436	572370	455709	410693	447034	450478	556613	526571	579792	608196	837298	511352	918845	563699	771257	409949	574653	679760	535190	599115	57908	39731	52889	415610	405842	57147	713778	464157	655532	652527	737934	40975	839149	591461	504075	732923	414752	390975	606406	384255	849506	717290	368634	965380	667224	557502	353015	643169	491569	499026	524119	475318	501622	589829	40592	503553	644073	498837	460605	416641	444442	457664	738825	494918	706598	650588	707122	734436	620144	645719	729632	460826	670733	62545	637508	666924	637388	681798	769232	759604	727233	518022	257007	594265	627622	42304	468328	996542	Phytochemical	0.2857143	1.0	0.0
18	C14 H14 O4	247.09648	247.09677	0.003638555	247.09648	519517	518305	471033	453604	659022	492588	375355	470829	522534	479727	350127	304277	811277	467141	416910	546073	399230	885716	942323	600815	469194	478484	450759	501682	363207	259939	364847	363622	497970	395699	424661	500872	660657	468360	537019	445176	673812	365277	411848	421574	352037	498296	63953	38645	61463	349477	263611	55312	537060	359096	491713	486253	558352	46661	708048	488971	404615	617553	293165	252651	511026	274904	701946	540952	326681	792552	568000	417539	243215	350701	317191	402745	350498	389480	357762	472094	44347	329057	507719	375250	403896	297757	286885	262691	578095	464473	524900	543911	563444	537759	527898	518879	668508	281821	441240	63036	478275	481578	484313	545995	602445	597005	343722	434411	189512	433715	407537	45567	388436	702669	Phytochemical	0.2857143	1.0	0.0
8	C15 H10 N4	247.09782	247.0984	0.4875104	247.09795	1291722	1464468	883530	1275294	1283541	821802	995329	1156218	1580778	1239240	993786	925848	1383234	806568	1004460	1302468	2748396	1438842	1799664	1677480	1633596	1502868	1132224	1263192	726516	1614990	984030	844410	1140144	1032492	977490	1130292	1317318	901566	1964916	1049460	1276932	957106	3268239	1245138	1549806	1071996	217392	190164	287532	1148964	1232856	266976	1338708	1016538	1222698	1398504	1118814	192048	1869512	1351535	1018041	1251690	947112	1097328	1370724	880488	1484706	1490910	763866	1264452	920856	2874576	1692096	1749078	2499990	886482	1037870	925206	1075902	1345512	217332	858618	1480266	729906	1276872	1100580	1099800	938298	1406838	826320	1493292	916674	1228890	1590714	836544	1218108	1377600	1054602	1201680	284058	1248480	1327500	1418088	1823670	1708104	1332918	1053342	1213236	722112	976536	1236756	196398	1829400	1395714	Unclassified	0.0	0.6666667	0.26666668
10	C15 H10 N4	247.09782	247.09836	0.5164931	247.09795	424536	393365	342565	330535	410011	256840	287634	335731	433013	453982	326997	256490	429176	226454	278927	421416	354852	496491	533948	540256	587721	424065	319812	343284	220603	521803	278867	284462	338430	309469	292202	346805	460112	274933	533034	293477	395740	264878	414920	428895	501706	292399	49948	36512	49163	310863	300367	51618	342997	266515	386113	409113	354259	36147	555442	371606	236635	446184	289147	320038	389119	266169	405511	420530	205555	408652	269840	412960	522816	561015	665353	256383	273414	268056	339464	345346	42179	218664	406576	238822	365616	297860	306691	294799	443976	292449	415760	278060	327755	387605	312544	320584	378485	310727	412830	54260	379051	393621	366141	468302	465352	375429	283743	363844	242767	287410	365574	39884	245651	464468	Unclassified	0.0	0.6666667	0.26666668
14	C11 H18 O4 S1	247.09985	247.10008	-0.09694613	247.09984	4438	6942	5105	4882	1665	1861	2609	1711	0	0	0	2689	2142	2141	2641	6585	4162	2007	2195	0	0	6941	12754	15675	1431	0	2883	0	2957	3571	3859	0	3612	3057	0	2068	0	1876	3783	0	0	1803	0	0	0	2571	0	0	1563	0	4460	4467	2977	0	0	861	1094	9894	0	0	0	0	0	0	1515	3193	5287	8042	0	0	0	1344	2352	1665	2561	2335	0	1993	7205	0	17230	0	0	0	0	0	4540	0	3297	29833	5718	2466	8346	0	0	0	2062	0	2503	0	0	0	1963	0	0	0	2086	0	7299	0	Organosulfur	0.36363637	1.6363636	0.0
16	C13 H14 O3 N2	247.10771	247.10803	0.02784094	247.10773	49942	52750	45413	51296	26532	27885	43703	72233	14191	30291	27892	40619	11866	23089	47513	83511	92418	27094	35233	25478	36912	78548	49699	91666	56785	16362	38057	30501	61582	48016	67166	64600	78425	76811	24743	57069	70163	40593	92728	30002	42704	42242	2228	2331	2003	27589	25711	2339	86195	56373	52532	57719	34178	2694	12023	5669	16766	107718	12439	25784	93019	17044	13399	13129	20492	22490	43168	90173	21625	20277	24041	69962	77030	47526	60422	69925	1249	36080	61711	51723	42660	23281	22853	20717	8654	15716	85419	62060	51703	285256	53522	39873	173409	27330	34232	2712	54049	46096	14518	9671	9111	76582	33131	28052	10783	139271	12902	1962	71177	19140	Peptide	0.23076923	1.0769231	0.15384616
14	C13 H14 O3 N2	247.10771	247.10803	0.012389996	247.10773	64240	61031	61117	60818	37684	33751	66395	74888	19238	42748	45453	50249	18431	19090	53211	89732	89523	66197	66909	51758	44946	79045	41823	88290	73348	22794	63109	38540	61288	52047	55320	78694	97410	84159	46602	56145	95450	54482	116988	43717	71716	43566	0	1682	1382	35633	39631	2092	79873	50975	58044	62617	42284	1736	16992	11898	27224	111051	22779	45235	98745	30979	21308	24440	23527	44990	37886	114377	23464	37401	47359	57691	65650	40821	64624	63770	1050	36449	67850	52741	66828	31397	38981	32612	16381	26724	75773	86314	74433	199430	74216	64088	160950	45791	56019	2546	57136	55451	13419	14608	14182	77326	45428	43960	0	108287	15706	2129	93788	34356	Peptide	0.23076923	1.0769231	0.15384616
18	C13 H14 O3 N2	247.10771	247.108	0.024895519	247.10773	15491	17802	13828	15630	7885	11566	18633	23769	4658	12369	12266	14064	3183	10340	15419	29444	22579	5999	14903	4578	9494	23488	12863	36371	30872	9864	17823	10561	18522	18032	20517	24100	26211	27444	10283	16411	31828	12757	26475	13063	22781	14797	1888	2250	1702	10254	9841	1537	28472	18910	18233	17281	9341	1851	3633	2898	6808	30573	6678	11406	32833	10351	2504	4508	8338	10330	15185	31728	11005	12786	14019	24395	16451	12445	16206	16670	1171	10426	17955	20530	17757	9006	11118	10575	5159	6722	25594	23957	17772	43144	34955	23609	37211	17558	10485	1924	17096	14800	5060	3672	4036	28234	11193	12414	4577	30594	4634	1668	26843	5229	Peptide	0.23076923	1.0769231	0.15384616
10	C13 H14 O3 N2	247.10771	247.10805	-0.028476734	247.10771	74319	74069	71034	64717	34387	34293	63032	79439	25450	80876	49277	50980	33719	17468	54620	122626	95786	53485	63425	78222	94107	100766	57846	115258	71076	46402	76298	41174	69817	64884	60687	84646	106555	71240	82248	63082	99470	55990	127538	71366	108829	57367	2591	1741	1809	59755	56992	2036	87922	59079	68599	78998	47776	2744	37880	16689	27703	107051	39749	70807	97726	42560	30023	33838	23815	42135	74903	142499	48864	74108	76046	68819	53420	48472	79569	65656	1464	46904	77926	53007	67898	43802	53352	46443	27713	28569	83176	65420	56140	185802	72660	65249	187346	56645	94083	2830	75069	67893	21546	17759	22265	84319	55579	63271	20734	94609	22198	1673	76968	41980	Peptide	0.23076923	1.0769231	0.15384616
12	C13 H14 O3 N2	247.10771	247.10805	-0.022378355	247.10771	98041	102170	104500	111187	33350	46398	120415	93237	27474	60114	55671	92806	26276	21256	63597	194492	224548	68597	75253	72434	84877	101513	82409	171244	67270	40226	116709	46176	99185	103968	89390	145090	143912	173454	77572	102957	170082	75399	260202	61535	111603	90775	2559	1859	1895	64572	47225	1638	152630	109474	102876	111992	59083	1865	36034	15269	34356	176613	27184	52523	151549	37634	36393	29976	31831	56126	63996	238373	37702	58337	84250	105623	113999	79455	229415	122675	1202	67006	91671	58700	68195	41413	42915	43827	23615	34388	114669	146427	87620	278342	65783	59842	210245	53063	61627	2591	94200	108446	22339	19998	20668	172347	79093	52632	0	182582	25630	1728	91700	50616	Peptide	0.23076923	1.0769231	0.15384616
4	C13 H14 O3 N2	247.10771	247.10814	0.005611248	247.10773	111408	108500	101234	105905	84547	53805	82520	92635	65010	130879	91919	69037	57068	46812	64393	132354	202645	90558	140984	127862	156637	172118	96098	126644	73002	81673	81505	99560	73591	74697	73903	91973	133515	78061	167292	80125	121874	78380	227200	99257	144293	83662	2321	1477	1587	104334	121048	1938	114269	76328	107170	88240	86271	1678	72499	35188	50769	120528	18600	59516	120283	62332	64876	61716	39199	94603	62917	228580	75107	115481	141745	68331	66303	49142	123131	78455	823	63668	135898	83306	115281	57423	36448	65842	56074	51687	137267	116184	91418	270934	107011	83143	203252	76395	116540	3580	95467	110034	49085	46692	51790	142721	71497	76962	61588	117587	51381	1682	100882	72766	Peptide	0.23076923	1.0769231	0.15384616
8	C13 H14 O3 N2	247.10771	247.10808	-0.016481696	247.10771	85689	93847	75284	82749	52057	41193	69147	84160	44765	95177	77546	65845	37939	33645	64379	125853	128467	58217	88814	101829	115942	112306	75461	124913	70878	62696	81102	66209	74666	68476	76258	93455	121710	75127	113228	67698	127173	66405	161413	88866	131667	56943	1875	1341	1478	72536	73139	1450	112586	75164	79491	81830	62317	1522	50593	24707	40734	107011	29939	66109	101075	54473	47646	47499	35207	57829	65513	161764	56174	74695	108673	73401	66274	50986	65093	77362	953	56866	106141	75302	85813	47506	47639	68476	34300	32371	104738	85556	73730	204831	88602	65288	184851	75563	103420	1509	78437	76270	32380	38587	31593	109132	56509	72945	25265	95071	34463	1254	87889	50050	Peptide	0.23076923	1.0769231	0.15384616
6	C13 H14 O3 N2	247.10771	247.10811	-0.007186833	247.10771	199947	194867	183466	189153	97481	105893	174962	186699	80908	164063	119473	138486	71075	95366	136531	320847	378632	188245	199743	135049	171490	163373	152047	280590	130116	76239	169940	115282	199751	162440	202603	248075	369060	233746	173475	168113	349802	140640	456575	89721	145230	143215	2900	1449	1203	117230	101620	1420	269769	144835	191604	201740	141037	1743	78897	41234	76450	296554	29338	74533	273327	63467	86480	57625	72403	125167	187878	456607	68575	125743	148565	150671	147547	115345	266048	180287	839	123489	180506	102183	166310	56481	50368	71071	65897	100793	250372	258722	209692	500789	317861	219332	307472	96356	135489	1918	189020	170283	45184	48436	76393	350546	127492	87684	41496	262493	54144	1218	163487	108268	Peptide	0.23076923	1.0769231	0.15384616
2	C13 H14 O3 N2	247.10771	247.10817	0.054558113	247.10773	155667	157835	148251	150070	71427	137009	169583	223726	52232	114437	102452	158801	48547	53949	185204	227602	316572	115429	127384	114691	148406	113306	177652	222253	172214	43386	161983	58936	250714	186602	187831	233296	244290	211378	134982	210649	231447	143394	281673	74563	77690	190819	1793	1149	1349	82180	64295	1400	235433	201723	144176	141966	127196	1219	63276	26479	72708	220649	20606	39410	188492	34300	60941	68256	79668	71062	186265	373212	52615	84557	87455	134210	162188	124436	243496	178554	766	151659	203420	69219	164452	33566	29384	36836	37931	72564	188636	219848	207419	266501	59419	49887	289530	58194	65154	3373	158412	168222	47593	27602	31824	216292	146362	78761	34203	233905	39324	1498	180798	64139	Peptide	0.23076923	1.0769231	0.15384616
4	C10 H18 O3 N2 S1	247.11108	247.11165	0.20084551	247.11115	0	0	0	0	0	0	0	0	0	0	0	0	773	0	249	0	0	0	0	0	0	562	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	295	0	0	357	0	0	0	0	0	398	783	532	0	0	0	0	0	80155	0	0	0	0	0	366	488	0	0	709	32703	5570	589	34199	0	0	0	0	0	0	0	0	0	0	0	0	508	0	0	0	Peptide	0.3	1.8	0.2
12	C11 H18 O6	247.11761	247.11789	0.053055856	247.11763	4913	5047	4815	4723	6874	7388	5614	7840	7544	1989	0	3488	7137	10226	9811	2622	4167	10854	9124	0	2092	0	5583	0	7053	0	3184	8435	13170	5236	42085	7776	9203	7635	1536	6407	5535	5975	2714	1671	0	8214	7130	1834	1625	0	0	2290	6263	4041	2750	3729	7300	3639	10258	3329	4776	10681	0	0	0	0	9089	5616	6709	13309	9836	0	0	1677	0	7047	8432	11187	3060	4946	1413	7492	1392	0	1988	1491	3572	2411	7693	8697	4459	3082	7954	0	2962	7128	2690	0	0	2258	6535	2810	5398	5928	4932	3897	4876	0	0	5368	5678	2127	2965	8240	Lipid	0.54545456	1.6363636	0.0
6	C11 H18 O6	247.11761	247.118	-0.059067044	247.1176	4325	3556	5567	5403	5990	4648	6732	4705	5561	3601	20272	2618	7617	8966	3432	4070	4363	6216	7090	2305	1373	1786	3302	4029	1902	1367	2858	35522	7986	6281	4356	4892	6305	4929	5554	5920	5669	2954	4837	0	1089	3918	12253	439	428	2516	1715	480	5621	5168	4194	3975	4465	636	6450	6250	3196	3347	2072	1342	5907	0	6294	4154	4363	5741	5872	4058	0	0	0	4448	6264	8802	2646	4005	242	2892	2244	108887	3117	2725	11321	6430	8302	5938	2453	4006	3507	0	0	6320	3508	36424	5208	527	5941	5881	3094	4585	9203	6813	3545	3709	7937	2352	4835	0	1785	7178	Lipid	0.54545456	1.6363636	0.0
10	C11 H18 O6	247.11761	247.11794	0.01410719	247.11761	7653	6010	6644	10327	12262	12951	9109	10357	10926	3156	5796	4105	18559	10967	9372	5594	6902	18431	10267	2166	1610	1915	6901	3097	8032	1701	4687	17613	14699	9333	10993	9970	11057	8762	3195	8660	9483	5931	5901	2025	1607	9550	6169	3639	2381	2206	0	2918	10153	6766	6524	6720	8060	3838	15160	8416	5953	5805	0	3123	0	1323	7703	9843	18824	14623	11067	4156	0	0	2135	6539	11343	13304	6383	9876	2817	4707	1910	19462	4042	2801	9350	4992	13242	293712	6329	6547	8978	3667	3997	5399	4432	5842	2865	2521	5788	7670	7168	8922	12797	12151	5263	2821	0	4254	9619	3126	3385	12707	Lipid	0.54545456	1.6363636	0.0
8	C11 H18 O6	247.11761	247.11798	-0.009083825	247.11761	7414	7468	5227	7505	8490	7850	9237	7960	8232	2150	9049	3841	12129	14130	7432	5011	4822	11204	10509	4037	2213	2820	4305	2779	4612	2874	5155	18711	9256	8733	5902	9520	5358	8747	3649	10448	7155	6612	4628	1336	1581	6527	5608	1061	1280	3195	1576	1168	5917	6192	6414	7940	7083	2412	10768	7732	5695	5630	5077	2686	7201	0	10931	7199	12470	9122	9490	4732	0	0	0	7922	7991	9649	3803	8557	1182	5912	2524	53413	3121	3996	26623	15999	11168	223012	7724	4695	6434	1713	0	0	3920	12270	3258	2069	7330	10772	7280	16550	18655	7556	3468	4469	9432	4816	12126	1205	4495	7501	Lipid	0.54545456	1.6363636	0.0
14	C10 H18 O5 N2	247.12885	247.12915	0.20967372	247.1289	1977	2378	0	0	0	0	0	0	0	0	12647	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	178571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2506	3182	0	0	0	0	0	0	0	0	0	0	0	0	1050	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38832	0	0	0	0	0	0	0	0	0	0	47258	38166	0	4768	0	0	1651	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.8	0.2
8	C10 H18 O5 N2	247.12885	247.12917	0.1049263	247.12888	4015	3968	2255	3456	1425	3232	1013	1291	1954	0	4758	1720	1193	1030	1966	4261	1970	2293	2037	0	0	0	2219	2719	2722	0	2332	17461	1703	2036	2136	2048	2002	2250	1006	2031	1738	1820	2720	1146	0	1489	0	0	0	0	0	0	3011	1585	2476	3700	1401	0	0	603	1107	2930	0	0	0	0	0	1208	2421	2427	1282	2180	0	0	0	1692	2995	1345	1148	2452	0	2272	1352	44279	1561	820	668	0	1194	0	1507	2019	2385	2776	140987	37623	3898	8973	1598	0	3166	3360	1152	0	0	1622	2195	0	0	2217	0	0	1689	1659	Peptide	0.5	1.8	0.2
18	C10 H18 O5 N2	247.12885	247.12914	0.23147	247.1289	0	0	0	0	0	0	0	0	0	0	1751	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8844	0	0	0	0	0	0	0	0	0	0	15872	4017	0	1389	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.8	0.2
12	C10 H18 O5 N2	247.12885	247.12904	0.18349682	247.12889	0	1879	2975	3188	0	0	0	0	0	0	4659	0	0	2116	0	0	0	0	0	0	0	0	0	0	0	0	0	173118	1680	0	0	0	0	0	0	0	0	0	3217	0	0	0	10181	0	0	0	0	0	0	0	1871	3693	0	0	0	0	0	1867	0	14526	0	0	0	0	1159	0	0	0	0	0	0	1124	0	0	0	0	0	0	0	18680	0	0	0	0	0	0	0	0	0	0	74200	37009	0	5504	1450	0	2600	3445	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.8	0.2
6	C10 H18 O5 N2	247.12885	247.12923	0.115008265	247.12888	18120	20674	22306	21870	3538	4187	6346	8071	2791	8583	60987	7177	3167	2325	5229	7406	12189	6651	6284	0	820	4520	4354	5585	4364	0	6010	282909	7131	6576	5559	7604	9697	8371	2574	7905	8975	5525	13208	0	0	4045	1539	0	0	0	0	0	6478	6863	22519	20044	4409	0	3020	1895	2850	7560	1230	2163	7394	0	2298	2581	3259	4709	5848	9617	0	0	0	6929	7639	8191	5077	7261	0	3935	3890	297295	3623	1833	1865	1134	3342	5211	4856	5403	5770	8962	828903	602289	7813	102312	15196	0	23260	18421	2660	1224	2661	9881	6080	2578	0	7255	2899	0	4590	4987	Peptide	0.5	1.8	0.2
10	C10 H18 O5 N2	247.12885	247.1291	0.13552646	247.12888	2246	2766	3132	2614	0	0	0	1708	0	0	6720	0	0	0	1793	1377	2776	0	0	0	0	1346	0	0	0	0	0	57762	1196	0	1299	1322	2174	2686	0	1011	1851	1475	1734	0	0	0	0	0	0	0	0	0	1557	0	2595	1395	801	0	1027	885	732	1554	0	0	0	0	0	0	1002	0	0	2661	0	0	0	1271	1340	0	1839	0	0	900	1384	36376	0	864	0	0	0	1516	1908	871	1544	3749	114191	32387	0	5781	0	0	1944	1626	0	0	0	1430	1345	0	0	1477	1003	0	1687	0	Peptide	0.5	1.8	0.2
16	C10 H18 O5 N2	247.12885	247.12897	0.19513391	247.12889	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37926	0	0	0	0	0	0	0	0	0	0	0	0	0	0	484	0	275	0	0	0	0	0	0	0	0	0	0	0	1586	0	0	0	0	0	0	0	2966	0	0	0	0	0	0	0	0	0	0	1186	0	0	0	9656	0	0	0	0	0	0	0	0	0	0	17288	4946	0	1549	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.8	0.2
24	C15 H18 O3	247.13287	247.13313	0.003432422	247.13287	310775	314292	270632	298338	387392	282930	224404	297082	289581	228980	187847	238089	456819	390585	294767	355579	282757	388323	437608	297442	281910	264818	285257	335707	239742	185884	223320	215711	295927	273160	269995	338816	376717	276407	282742	327764	412161	250007	314245	234660	196349	236011	73493	52969	55135	199648	167448	73689	351222	259344	291644	290175	294281	38612	362467	282041	228637	430419	230472	166001	366538	162334	350524	282188	251304	445140	322517	292341	161385	223196	208687	250811	251810	260827	219136	314624	44216	240220	296866	168621	265764	185015	233538	188034	327595	217346	353304	236554	314460	402843	366294	328813	443310	166664	217417	66383	287969	296437	285938	396204	367428	384417	241016	270486	164380	314324	230866	65663	289007	366597	Phytochemical	0.2	1.2	0.0
18	C12 H22 O3 S1	247.13625	247.13644	-0.24981721	247.13618	0	0	0	0	1286	0	0	0	0	0	0	0	0	0	1307	2930	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2870	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4004	0	0	0	0	0	0	0	5530	8464	0	0	0	0	0	0	0	0	0	0	0	0	69408	0	0	0	0	0	0	0	1081	0	0	16559	7598	0	1530	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1369	0	Organosulfur	0.25	1.8333334	0.0
4	C14 H18 O2 N2	247.1441	247.14452	-0.04213467	247.14409	80032	97684	84811	81726	26313	41095	79902	204368	15184	89028	45945	80155	12502	21503	95326	188999	222018	38480	46828	98001	91105	70150	77680	178917	110764	28729	88181	71722	157658	83329	122264	130993	160150	116472	108456	135705	153786	75505	223692	54271	50922	54796	781	552	262	54811	42613	0	166397	167909	87841	70435	43060	254	15478	7436	20715	147359	4675	19764	138731	33600	11771	15708	20037	27414	47739	235003	21340	44758	45747	87579	88381	101772	188968	100900	216	82453	88412	98377	77476	12042	13801	43375	11768	21060	89408	69174	63964	194834	110144	36273	198539	44619	77541	851	81771	86621	14495	6890	9999	162095	71012	72962	18078	155521	12992	462	92607	17324	Peptide	0.14285715	1.2857143	0.14285715
14	C14 H18 O2 N2	247.1441	247.14441	-0.064703405	247.14409	107237	120652	114580	115714	27190	28644	144057	207137	14592	55885	48371	180575	11174	8059	113733	179485	221900	24565	26444	74835	60946	109714	97721	197811	85801	42270	152305	57834	154783	192960	176802	248773	171959	263904	63223	199186	210577	108941	268825	57719	110793	41794	0	0	248	82108	85962	0	260390	188126	108848	117669	31276	322	11187	15456	32077	221585	48698	94281	132900	32665	8371	11317	22809	23814	40405	276694	20818	47098	68449	267432	263296	212080	196764	230359	0	136423	111071	49475	116570	60846	79484	57289	23660	23763	90198	78142	73773	293399	90568	66387	221083	45587	64448	453	121968	93968	11440	20463	18796	172942	131219	95193	33846	195802	16128	411	151947	9479	Peptide	0.14285715	1.2857143	0.14285715
12	C14 H18 O2 N2	247.1441	247.14442	-0.049955297	247.14409	45168	56066	55643	45857	10105	9800	46553	56602	8630	48362	34365	36064	4714	7515	35502	80937	89108	13390	17962	69717	58618	60988	31683	75905	30988	37730	43581	31618	42900	63654	51134	63137	63719	51233	52906	73575	59609	31401	96732	60165	103420	18713	0	538	0	59216	68495	0	73367	69187	50922	48245	17350	240	6706	2954	14665	77776	24880	57374	54888	26008	3336	5391	11597	13446	18637	81569	27864	43416	62640	51970	50594	62551	68621	68148	221	32268	42155	57588	38357	39150	44742	50696	7915	9609	40182	32324	22496	140748	106810	64100	92436	46885	76313	484	50645	51442	5804	5226	4328	73192	37291	54809	0	61482	9007	0	46372	6274	Peptide	0.14285715	1.2857143	0.14285715
16	C14 H18 O2 N2	247.1441	247.1444	-0.072373055	247.14409	27060	29822	27093	25855	9492	8349	53896	25780	4290	20656	24456	36020	2918	8123	35829	46045	135568	3409	12320	17316	13712	30205	27573	45714	22985	21408	56042	27717	25033	28218	28257	31576	37403	32266	15598	29675	41532	39681	146802	21177	46404	11583	348	334	0	16502	39752	0	38359	31045	25451	27592	14724	392	2680	1398	13247	35530	20617	43545	39877	16345	3578	4624	10961	9579	10311	153715	14342	18712	35220	34444	22856	20544	59326	27041	0	23090	38749	30912	46048	28950	33216	22217	6466	9549	32816	23624	14603	126435	37908	32320	68133	25151	27685	0	28908	25918	4682	5424	6075	37914	27451	18136	10575	43312	7931	0	60573	3958	Peptide	0.14285715	1.2857143	0.14285715
18	C14 H18 O2 N2	247.1441	247.14438	-0.04205523	247.14409	7237	7513	7528	6611	7650	4918	6703	9532	0	3591	4170	6182	4172	3944	4784	17633	20098	3941	5792	4768	3333	6708	3945	11848	4088	6257	6794	6955	5061	6977	6788	8565	6108	9130	4400	8495	12452	4674	16226	9091	13964	6924	288	436	0	3706	5524	0	9378	6564	6860	7788	7138	264	0	1130	6560	13989	3801	9242	10250	5270	4310	2223	2513	7549	15534	20284	7900	3816	7364	7493	4516	6615	10622	5532	0	4485	5748	8462	6670	3772	5152	7344	3798	4275	7339	10346	8001	23373	13846	6110	19464	6634	8534	0	5749	4435	2276	2361	2447	11845	4599	8823	4164	8460	2183	0	6970	1881	Peptide	0.14285715	1.2857143	0.14285715
18	C12 H22 O5	247.154	247.15408	-0.023103695	247.15399	0	0	0	0	0	0	3323	0	0	0	0	0	0	1939	0	0	0	0	0	0	0	0	0	0	0	0	2308	235670	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5555	1525	1279	0	0	1406	0	1276	0	1521	0	9729	0	1522	1156	0	0	0	0	0	0	0	1535	0	2114	0	0	0	0	0	0	0	0	0	1354	0	0	28287	0	0	9326	3736	0	0	0	0	0	0	12606	10051	0	0	0	1981	0	0	1262	0	1635	0	0	0	1325	0	0	1503	0	0	Lipid	0.41666666	1.8333334	0.0
16	C12 H22 O5	247.154	247.15425	0.006485328	247.154	2717	3091	4209	4738	2517	0	0	5814	0	1879	0	0	3089	6801	0	10264	0	0	0	2960	0	0	0	2429	0	0	0	0	29128	12723	3005	6763	0	2044	0	11693	2969	0	1849	4702	0	308428	5189	1904	1518	12514	3142	3016	11979	10073	3530	3435	2229	22382	0	0	2129	6435	0	0	0	0	2039	0	1921	3869	18666	1436	0	9828	0	0	4983	10461	27399	8993	1411	0	0	0	0	2236	1942	0	0	2355	0	2406	5659	0	5337	0	0	0	11902	2139	2999	5664	1103	0	0	3759	0	2039	0	0	0	2503	0	0	Lipid	0.41666666	1.8333334	0.0
22	C12 H22 O5	247.154	247.15431	0.13646491	247.15404	2141	1625	0	2418	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	565389	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	777	0	0	0	0	0	2635	1260	0	742	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1118	0	0	27496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2072	2371	1186	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.41666666	1.8333334	0.0
20	C12 H22 O5	247.154	247.15408	-0.17925529	247.15396	1735	2021	1617	0	1546	5049	1260	0	0	0	6608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	106347	0	0	0	1458	2528	0	0	0	0	0	0	0	0	2793	3205	1388	815	2759	0	1494	2173	3994	1581	1523	0	19794	0	0	0	0	0	0	0	0	0	0	2117	1581	0	0	0	0	0	1653	0	0	0	2579	1165	0	0	115185	0	3731	3480	0	0	0	0	1345	0	0	51287	41325	0	12502	0	1703	1676	1658	3845	0	0	0	0	0	0	0	0	1618	0	3968	Lipid	0.41666666	1.8333334	0.0
2	C11 H22 O4 N2	247.16524	247.16565	-0.04195868	247.16522	23049	19792	19061	18907	9560	28680	2635	15722	3116	4878	2078	3198	20234	14003	7119	5920	5285	16972	15872	2657	2100	18318	9954	22070	9777	0	0	5784	21061	6634	17279	16891	26378	15259	5678	12449	20545	4091	5682	1730	599	8679	235	0	0	6537	1121	0	14648	5054	20599	21285	8051	601	4032	1794	1929	38212	994	931	8921	345	12830	3619	3041	20049	13819	8746	0	2318	0	22292	13515	9044	1151	9481	0	4908	12362	18027	6870	1210	1037	0	2449	2861	15315	7130	15905	29538	480967	476582	36745	5295	2463	0	23789	19482	2663	2013	2383	8457	4205	2927	1200	28145	1781	0	9027	18245	Peptide	0.36363637	2.0	0.18181819
4	C11 H22 O4 N2	247.16524	247.16565	0.04303698	247.16524	32648	40319	30609	33369	3234	57692	1317	3077	1443	5242	11893	780	4351	3050	5377	4228	1777	17582	2613	0	0	5244	2103	3401	2148	0	756	97301	6167	1956	3520	2660	4918	3696	1354	2762	2777	2469	2770	0	0	12691	0	0	0	0	0	0	3408	1670	33696	32185	2091	1049	1278	909	1089	6173	421	483	3833	0	5522	1141	0	5539	3282	2183	0	0	0	3495	2938	2767	0	1747	0	1359	1448	157115	1120	0	232	0	1358	2184	2756	2825	4039	2260	1665813	1386913	4946	43183	11485	447	30128	31926	2138	1137	1246	3133	2041	1704	0	4080	2471	0	1205	3859	Peptide	0.36363637	2.0	0.18181819
28	C16 H22 O2	247.16925	247.16954	-0.009351624	247.16925	51183	50864	45283	49583	49075	34462	56203	53980	41451	36409	34659	34881	34945	49435	44441	58482	50017	46632	62131	41165	40843	53570	43348	39790	59125	37070	56740	44936	56962	55530	52631	57968	63824	44120	41362	62409	53432	48018	56084	32953	30688	44153	17951	15240	20498	32856	26631	15535	52687	50017	48839	49300	47048	16870	38668	37448	33182	73033	40414	29095	58345	27539	37014	36253	44066	42179	51130	49764	37972	42743	40175	36818	40195	56504	37107	57656	14784	37639	119454	79442	35941	37941	46119	42285	46381	31763	152693	33707	42653	454051	82487	78060	104940	49356	42209	18770	50117	52870	40743	56386	56360	73764	46684	43905	30907	58448	40437	17369	65453	34291	Lipid	0.125	1.375	0.0
26	C16 H22 O2	247.16925	247.16954	0.012558715	247.16927	179572	185471	176147	168865	206451	122750	189296	189787	146958	120920	156279	134756	161734	189972	203615	240896	201029	180946	241522	200377	188289	179957	122007	173682	213117	115020	198602	214440	213941	206445	186331	242708	250931	165284	185195	245588	228378	192502	212563	147463	112339	236721	32751	35696	34808	118336	95280	37065	223545	169601	194074	175477	167335	27944	173815	139604	148277	314076	153449	111826	245682	90837	146003	130244	134660	190065	244697	238762	91598	113502	108746	136858	167010	210651	153100	214143	38089	184059	183616	221961	121654	143898	169875	133137	169298	130213	328415	145715	157315	339452	313562	281117	293924	147423	161267	39013	188543	191959	150800	167972	179855	267196	143733	177185	130979	190660	160660	35992	217554	131526	Lipid	0.125	1.375	0.0
14	C16 H22 O2	247.16925	247.16957	-0.047938902	247.16925	67235	58026	48819	56556	34479	30718	79097	65485	28285	24216	32282	44137	27455	41019	41522	73510	95110	29721	34910	38278	34588	59658	40279	48574	51797	46949	77045	31955	57665	68041	52455	66205	56683	42953	26697	74377	43077	38795	101374	30088	43896	38791	6531	4455	4223	34651	32530	6612	62913	67665	51867	52530	36385	3934	31922	33291	34146	91276	27174	49606	60420	20383	23473	28455	32065	24106	39363	105828	32624	36739	52703	37843	47437	65686	83158	70319	3367	37529	55751	33822	44903	34179	74482	63643	46360	39071	69933	29292	43442	180232	56783	53756	79455	38394	37841	5211	54570	51632	26844	52658	61074	55590	43935	47372	20141	69100	37358	4612	59808	22736	Lipid	0.125	1.375	0.0
12	C16 H22 O2	247.16925	247.16959	-0.015115574	247.16925	30009	30650	24919	31400	13201	13242	31934	25386	11413	13872	14593	17582	8375	14552	13763	43220	29493	15049	17285	18839	13566	26982	15880	28817	24692	13843	39285	0	25886	34780	30121	42884	25497	28252	11082	25404	27016	19167	41806	13919	9202	16980	5286	4790	4835	12434	20111	6737	38237	30557	26326	34844	13216	3816	14263	12516	12572	54606	12570	13420	19816	8516	11889	8662	12876	9679	12923	34550	0	14964	20831	23117	24138	30705	49694	40834	3451	16926	23405	0	20067	19133	22846	16308	14942	13460	27883	13444	17725	63005	32822	32113	44567	11507	25128	5076	33789	33148	15046	18371	21063	33983	17159	21018	0	34629	12679	4469	24127	8029	Lipid	0.125	1.375	0.0
4	C15 H22 O1 N2	247.1805	247.18094	0.060038384	247.18051	8263	8334	6523	6986	518	1629	4301	10944	424	9189	4665	5753	0	0	4618	14766	11432	959	2981	9356	12240	4596	4965	16382	6142	2845	5203	6606	9949	11515	10629	11574	10923	11840	11409	10694	10658	5640	9675	7526	2448	1968	0	0	0	3777	3801	0	13535	11680	8316	6851	1188	0	385	0	895	11773	0	0	11532	3265	0	467	0	1566	2828	15588	1260	3116	3084	10562	11763	12771	18069	11895	0	6137	6740	0	6119	0	254	5767	0	731	5382	2571	2387	23847	9983	0	19695	4830	10347	0	5816	6409	0	0	0	7437	4269	3978	0	12089	0	0	6900	323	Unclassified	0.06666667	1.4666667	0.13333334
2	C15 H22 O1 N2	247.1805	247.18091	0.024517082	247.1805	11770	11195	10777	11133	1465	0	7092	22071	1634	7659	4170	8615	0	2517	8689	26107	17200	46304	44437	11569	9839	11491	8289	22821	9817	1729	8456	2980	15916	17638	13596	22669	13717	17372	8369	22320	15742	6849	15628	11162	5320	0	0	0	0	5288	6066	0	23914	21496	10503	10940	2058	0	8626	0	1085	17136	0	0	18652	4692	2818	3136	2957	1031	2310	21963	1503	2821	2724	17987	19017	27622	34607	18463	0	8209	7803	3412	10233	1510	1465	7395	3252	2139	5412	5360	5469	34938	10870	2364	39777	6245	14550	0	11113	11200	1020	0	0	14738	6324	13574	2652	16817	240	0	8690	3515	Unclassified	0.06666667	1.4666667	0.13333334
2	C12 H26 O3 N2	247.20161	247.202	0.02465759	247.20163	1887	1496	1804	1534	68828	0	2172	1139	0	0	1261	1236	0	0	835	1922	2668	528	0	0	362	1181	1088	1589	445	0	0	3423	1830	0	2419	2076	18062	5190	735	1568	2542	998	2845	0	0	6143	0	0	0	487	0	0	1448	703	1895	1548	30227	0	0	0	4003	2123	0	0	1874	0	413	0	0	1522	5689	5956	0	227	0	753	959	0	1606	558	0	910	1013	0	2838	0	0	0	0	0	1298	0	526	2113	0	647	5358	0	0	0	1080	2240	1759	0	0	3567	1265	523	0	5017	8404	0	1285	452	Peptide	0.25	2.1666667	0.16666667
20	C17 H26 O1	247.20564	247.20587	0.02700282	247.20564	2847	3137	0	3435	0	1512	25614	3614	2269	0	0	3757	0	10358	2005	6034	14572	2185	0	0	2127	1424	1954	0	1977	5835	28233	2162	3147	6346	2708	4804	4698	2036	2248	5693	3076	2630	10684	0	2637	5430	1141	0	541	2672	2423	0	1810	4623	3345	4605	2785	1299	0	1550	4701	3054	0	5662	3200	0	2308	0	5867	4363	6380	12835	0	0	0	2296	2228	5321	16214	5045	738	2516	4917	5129	2241	2805	14178	16743	1585	1994	11017	2235	1591	12172	5956	3796	2391	0	0	682	3982	3097	2251	3227	3607	4120	2319	0	0	2951	1409	1013	4734	2622	Lipid	0.05882353	1.5294118	0.0
24	C17 H26 O1	247.20564	247.20589	0.016680762	247.20564	46512	51152	46340	43484	24033	25257	222903	61491	14768	44812	59533	28756	18421	81768	31518	60976	116254	16102	28618	48160	49401	29381	22834	23394	36512	85546	198022	81594	37399	55874	32401	48102	44102	34687	44319	58282	42179	30726	115535	27685	54716	30761	9850	2564	0	28693	50806	2306	48761	116423	43787	45236	26560	6870	14799	19320	30085	58754	19918	55175	54846	24801	38576	9867	52332	39735	67731	98961	49765	45331	77550	61653	39786	61371	83092	53804	5483	26643	45586	91533	24016	51073	77371	95646	21387	23401	80596	29028	34981	110508	79949	63276	32275	36081	35269	3847	47747	57702	30825	20004	30295	62873	24826	50099	36486	29333	21714	2323	42855	21952	Lipid	0.05882353	1.5294118	0.0
26	C17 H26 O1	247.20564	247.20592	0.04106136	247.20566	39664	38984	37288	37704	25157	15559	118642	45747	19751	27301	59361	28168	13098	53497	30459	43903	70244	13505	27812	35698	36506	26208	21873	22198	35524	84412	125548	80872	40379	47880	25169	40288	39280	26274	33618	48514	29809	35759	70537	36826	51185	31953	8317	5102	0	28101	46584	6120	36614	86270	39900	40457	27477	0	16460	25153	26464	52876	24305	45254	41486	26458	26365	15730	41935	32088	56324	73585	67281	45406	49792	32324	29311	46736	40288	41698	0	25114	30366	89868	21699	49185	49011	54431	24347	23149	87072	19356	27567	79744	88091	63459	32910	35669	38200	8741	40592	40049	26413	24177	24694	52237	26329	42554	51958	26470	24170	0	38597	13682	Lipid	0.05882353	1.5294118	0.0
22	C17 H26 O1	247.20564	247.20592	-0.007445873	247.20564	12585	23986	18337	19512	9472	11457	129926	22175	3437	9733	10032	11708	4101	40179	12137	23512	46321	6197	8855	7058	11042	5219	6649	6710	13195	30035	141025	20819	12983	17790	7942	15747	16620	13686	8848	23080	12806	13154	53114	6989	15788	17464	2709	0	779	5834	16624	0	16571	43731	20118	17211	9424	3093	2636	8135	14457	26470	6398	22616	20776	9037	14681	4857	30716	13453	25306	49093	12509	12458	15544	17925	13360	19087	39292	17565	1231	9259	17086	30717	7419	17486	58016	73983	7028	12875	29351	13896	12510	58403	31262	11789	11535	7459	12519	0	11893	20506	11664	11118	10285	18531	9059	13525	12978	12289	6307	0	16392	6720	Lipid	0.05882353	1.5294118	0.0
24	C14 H30 O3	247.22678	247.22687	-0.08504129	247.22675	0	0	0	0	1011	5164	0	0	0	0	0	0	0	18161	0	0	0	0	3163	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2944	2357	0	0	0	0	2294	0	0	1099	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20342	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1881	6324	0	0	0	0	0	0	2801	0	0	0	0	0	0	0	0	0	0	988	3042	0	0	Lipid	0.21428572	2.142857	0.0
26	C14 H30 O3	247.22678	247.22705	0.07137649	247.22679	16559	12241	20194	17431	27901	146124	4971	7039	0	2647	15122	5929	15610	274767	0	5205	19606	9917	123181	7400	10920	13173	0	12576	0	24458	10730	42274	13873	8726	14593	8101	16330	5058	6997	13385	14970	4774	18218	3488	30965	139920	5079	6547	0	5501	37184	0	4294	12374	14891	14778	20100	19612	0	9424	8459	3551	6041	23016	5979	8196	2237	5291	24457	15501	513048	24537	14927	7560	24065	5014	5325	12018	0	10040	0	5652	3439	25294	2578	9515	5057	7120	9776	17376	1796	24239	131451	15366	4252	12892	11469	6016	0	7060	15280	19339	8913	3534	7607	16299	5260	12863	7357	12570	7210	0	2510	2532	Lipid	0.21428572	2.142857	0.0
26	C18 H30	247.24203	247.2422	0.019059243	247.24203	3424	3552	4187	4695	0	0	84661	0	0	1539	9767	3364	0	32534	0	0	0	0	0	0	0	1955	0	0	6741	12443	82604	15358	0	0	2901	0	0	0	0	0	0	4760	4028	0	5875	0	0	0	0	0	0	0	1936	0	4889	3306	0	0	0	0	4693	2588	0	7536	7315	3015	5933	0	60918	0	5219	3607	11175	2357	4072	0	0	0	0	0	0	0	2249	15663	0	7769	9564	16748	0	0	6763	0	3472	4747	7037	4549	0	3242	0	0	4602	5558	6014	0	0	0	2864	6793	0	2324	0	0	4247	0	Lipid	0.0	1.6666666	0.0
24	C18 H30	247.24203	247.2422	-0.004771438	247.24202	1385	3093	2997	3082	0	0	56338	0	0	0	1554	0	0	59004	0	0	1698	0	0	0	0	0	0	0	0	5158	55787	5986	0	0	0	0	0	0	0	0	0	809	0	0	4408	1286	0	0	0	0	0	0	0	1762	2867	2743	0	0	0	3064	1919	0	0	3903	5756	0	15616	0	52518	0	2516	1418	2871	2245	2885	0	0	0	0	1048	0	0	0	9890	0	3704	7902	15368	0	0	0	0	1395	2728	11230	0	0	0	0	0	3116	3105	7367	0	0	0	0	4047	1755	0	0	0	0	2008	Lipid	0.0	1.6666666	0.0
12	C12 H9 O3 N1 S1	248.0376	248.03789	0.015284862	248.0376	2165	2149	0	1620	1832	0	8773	10333	1765	0	0	5709	0	0	4187	4985	26985	0	5930	0	0	0	4250	3080	1594	0	3916	0	2261	2574	3685	1303	7658	0	0	1462	0	4830	33554	0	0	3058	0	0	0	0	0	0	0	2689	1743	1605	4186	0	0	0	2149	5807	0	0	0	0	0	1483	1835	0	4439	28504	0	0	0	0	0	0	4607	978	0	4267	5595	0	2724	0	0	0	1109	2717	6406	1177	3050	9071	0	0	2851	0	0	0	1931	0	1487	0	1044	5184	4069	0	0	9017	0	0	4433	0	Organosulfur	0.25	0.75	0.083333336
22	C12 H9 O5 N1	248.05534	248.05566	0.0631052	248.05536	8775	7298	5196	6648	5480	4475	5249	7174	2876	0	0	11868	3799	0	9794	11663	17841	6866	11842	0	0	4492	7953	7138	2384	0	8308	0	7999	7093	6710	5688	11306	8408	0	6730	10260	7205	21699	0	0	5445	0	0	2025	2314	0	0	9268	8292	6062	6136	8291	1305	3639	2428	4682	7312	0	1286	9181	0	6875	6903	3726	9798	4433	19230	0	0	0	5563	4916	3862	10998	5565	1146	7911	16439	2567	16714	0	0	0	5841	3724	17740	8513	9634	24856	0	0	6395	1420	0	0	4252	6083	3726	3841	2632	9113	8647	1464	0	8149	3068	0	6979	14565	Phytochemical	0.41666666	0.75	0.083333336
6	C12 H9 O5 N1	248.05534	248.05577	0.12494335	248.05537	4088	6179	4302	4860	12608	4630	2172	2032	13448	2081	2717	3771	19503	5355	2750	3437	4050	10623	13196	1605	1870	6001	4514	4247	1969	541	1986	0	1953	1629	2852	1748	6582	2103	3020	2872	3006	3102	3882	2133	2500	5442	0	509	780	2454	2624	797	4372	1706	3629	4859	8959	1031	11270	10720	5379	3830	2160	2690	5209	1643	18210	11095	3892	12953	4676	5542	0	0	0	2344	2083	1837	1814	3275	502	2283	3859	0	2812	2725	1984	1030	9039	4804	4151	8027	7807	7689	0	2500	8140	3782	2186	965	4156	4425	6993	12458	12519	4065	4437	1961	0	5596	6155	597	1745	27373	Phytochemical	0.41666666	0.75	0.083333336
16	C12 H9 O5 N1	248.05534	248.05566	0.082519345	248.05537	14039	18793	12852	11616	32533	23469	13024	7650	24504	4931	7915	12707	42130	19984	14842	21747	18060	44885	44400	2515	2587	21409	16708	22312	9749	0	12901	3091	8458	7795	9972	14211	26425	10081	8430	6173	22850	13621	19716	4204	8439	16130	1873	953	1952	4521	6311	2159	14107	8208	17062	19562	21719	1423	18500	14786	14539	25815	3462	5229	14596	1649	34658	21998	10063	40447	23352	20038	0	3657	3792	8499	5366	2523	6579	5468	1363	7048	28808	13695	21400	3972	4895	1604	26784	13483	30465	28138	24035	50029	11965	14260	36639	9090	10059	1803	16530	12424	14952	26052	26470	24529	9465	3713	0	18593	15723	1408	16421	44109	Phytochemical	0.41666666	0.75	0.083333336
14	C12 H9 O5 N1	248.05534	248.05568	0.07206103	248.05537	19195	17699	16437	17167	36650	20232	13812	11069	26202	9642	8891	15635	41638	18941	12669	19657	16907	43826	41924	6412	6923	22967	18215	22398	11775	0	17373	0	10952	9941	9823	13494	24612	12030	9272	10032	25875	12813	27724	5597	6639	21356	0	1041	1295	6228	6136	1291	18557	10617	19089	19081	31692	1271	25386	13549	16122	25805	5565	10234	0	2119	36385	29080	11421	50234	22765	23931	0	3786	3593	7657	7848	6314	13326	9899	724	15082	25494	0	18978	6173	6910	4443	27710	15975	28966	30649	32390	46312	19976	14678	39934	13919	15185	1845	21309	16213	18966	26833	24302	18673	13899	11603	0	23607	18651	1322	17470	46794	Phytochemical	0.41666666	0.75	0.083333336
18	C12 H9 O5 N1	248.05534	248.05562	0.03474002	248.05536	13211	11299	10220	10906	20093	13115	8629	9618	12005	3439	2580	8058	17038	12560	10913	20440	15793	33405	28683	2116	0	20693	14478	24585	8549	0	11512	2021	3718	5413	10693	6929	22265	9145	5288	6011	22598	10245	24281	1406	2205	18477	1347	1217	1738	4579	3784	2239	11284	6062	13405	14724	18433	984	12313	7728	9773	17216	0	3896	21104	0	28266	12656	10709	31536	19770	18997	0	0	0	8325	6497	2618	7827	0	931	5033	21765	9437	19808	4790	1639	0	12740	12344	23445	24560	19675	49305	7393	4272	34943	3695	4366	1423	12408	9069	10732	11996	15984	18190	7383	2850	0	23154	6979	1631	15112	33594	Phytochemical	0.41666666	0.75	0.083333336
10	C12 H9 O5 N1	248.05534	248.0557	0.093018904	248.05537	23384	20507	16741	15174	35006	19730	12491	12968	31942	7091	7924	14166	49659	17673	11509	23190	18230	47972	42563	7915	8548	16557	16484	15396	8897	0	9890	4048	11244	8848	8784	9277	22575	9643	18399	9124	24126	12735	21675	7607	10656	18395	1580	742	1200	6477	6336	1138	10026	7599	17001	20358	26360	761	33007	21106	14603	22538	6221	7339	18779	3718	43066	31110	12432	44831	20857	25094	0	5769	4661	7346	9065	7092	16271	9568	842	10286	18798	6303	16616	5696	4112	1712	29260	15734	21378	24370	25996	37886	10535	10094	24791	11431	11259	1355	18217	17991	19272	31011	26272	22407	11979	5560	0	23260	20553	1150	9463	62549	Phytochemical	0.41666666	0.75	0.083333336
12	C12 H9 O5 N1	248.05534	248.0557	0.06624468	248.05536	20199	22068	17612	18587	37084	19296	12162	12982	31064	10030	8423	13359	42579	16708	12429	30412	19577	49023	53164	6010	7225	25883	20763	21179	9848	1038	12758	0	12824	12377	13044	13988	26379	12840	10001	14883	23386	16901	25933	3871	6732	21632	1475	980	1311	8181	6590	1461	16397	11511	24235	21278	30066	1350	28706	21590	20029	24546	6917	11115	29602	2549	64536	33837	15556	47074	21771	26178	0	2546	4745	10095	10308	6593	17749	13188	900	11715	27518	0	18606	8641	6463	2927	33925	19220	26962	29188	29441	43934	13840	13665	39412	11172	10206	1386	19349	22599	23323	34386	33335	27114	13588	12154	0	27612	29540	1178	14737	54990	Phytochemical	0.41666666	0.75	0.083333336
8	C12 H9 O5 N1	248.05534	248.05573	0.06395566	248.05536	10180	11528	6746	11079	24030	10629	4678	6372	21890	5672	4096	7308	42497	10044	9005	14571	11578	22635	26350	3495	3427	16552	8738	11913	5297	987	6458	1580	5527	3556	6630	4872	10392	6621	6118	4324	10828	7395	12521	4563	5113	10170	1074	588	959	3943	5218	864	6063	4852	10523	13388	16665	666	21169	17503	10438	11723	3499	6252	10917	2546	44799	24326	7268	25201	11848	13652	0	2191	2670	4914	3709	2341	7487	6727	776	5537	12031	0	8655	3389	3999	1013	17491	11886	11539	13506	15018	23591	0	0	22613	4670	2953	1174	9813	11952	14600	22208	19227	12250	6249	4419	0	13877	14019	601	6039	50721	Phytochemical	0.41666666	0.75	0.083333336
12	C11 H9 O4 N3	248.06659	248.06688	0.08309734	248.0666	3900	2877	3505	3208	2948	3751	3006	4310	4401	2146	0	3710	2138	1815	3968	3723	7521	5329	6958	0	0	6358	6445	6307	3956	0	2431	0	2916	3129	3050	2586	5575	5239	2196	3255	4503	5054	10094	1812	0	4219	0	0	0	0	0	0	3205	3096	3893	3996	5129	0	4327	0	2799	4336	0	0	0	0	3308	3826	2217	3940	3864	10492	0	0	0	3352	2848	2323	3598	3177	0	2996	6847	0	4794	813	0	0	1409	2398	5077	5739	3134	26341	2751	2057	13831	0	0	0	3519	4248	2848	1498	2594	3272	4280	0	0	5910	2434	0	4051	6252	Unclassified	0.36363637	0.8181818	0.27272728
8	C11 H14 O4 N1 Na1	248.08932	248.08963	0.3474695	248.08942	0	0	0	0	748	669	1360	0	782	0	0	0	0	0	0	2075	1089	0	0	0	0	0	0	0	652	0	1775	0	0	978	0	0	0	1098	0	0	0	658	1939	0	0	0	0	0	0	0	0	0	1033	0	0	1126	0	0	0	0	0	1351	1054	1100	0	1862	0	0	0	0	1653	1522	0	0	0	766	0	0	47538	978	0	0	0	0	0	676	838	0	0	0	0	1164	969	0	0	0	0	0	1467	0	0	0	1275	0	0	0	0	0	0	911	0	0	0	808	Phytochemical	0.36363637	1.2727273	0.09090909
10	C11 H14 O4 N1 Na1	248.08932	248.08961	0.37828442	248.08942	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1413	0	0	0	0	0	0	0	0	0	0	0	0	0	7971	0	0	1898	0	2815	0	3168	0	1210	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27025	3921	0	895	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	951	0	0	0	0	0	0	0	Phytochemical	0.36363637	1.2727273	0.09090909
6	C11 H14 O4 N1 Na1	248.08932	248.08975	0.042167574	248.08934	1069	1010	1247	0	0	486	679	0	0	0	0	0	0	393	0	1034	961	0	0	0	0	0	0	0	0	0	1019	0	775	0	1451	0	0	0	0	0	0	0	1046	0	863	0	0	0	0	0	0	0	0	0	0	0	451	0	0	0	500	0	1114	2427	0	1676	0	0	0	787	1131	1654	0	0	0	817	930	1080	41985	760	0	0	900	0	0	448	856	0	0	0	0	738	841	0	0	0	0	0	0	0	1182	729	0	0	0	946	0	0	0	0	650	0	634	0	Phytochemical	0.36363637	1.2727273	0.09090909
12	C13 H13 O4 N1	248.09174	248.09209	0.03367497	248.09174	156095	175956	162561	163951	120684	86676	119230	134021	91152	149176	111759	78102	103409	70364	87222	329764	149227	166745	178277	167605	160192	276425	110224	235578	100510	109007	115740	86959	120584	112469	100317	142201	186698	132535	145887	103363	194178	81508	176426	178582	274026	109774	6440	5126	5023	121132	169060	5734	170321	108155	166021	171682	129066	4389	115943	69590	70163	261116	78121	131337	281447	93264	141574	107559	55076	136698	106594	163214	117981	145272	189228	107248	104077	82557	148674	118283	2777	79355	131611	116631	96722	100227	91727	112657	78940	94780	172685	148863	135765	378264	171183	187175	318816	135240	245253	6062	169713	177600	81871	72367	71955	192314	86503	136614	55436	183213	79451	4566	114354	172328	Phytochemical	0.30769232	1.0	0.07692308
10	C13 H13 O4 N1	248.09174	248.09209	0.0333906	248.09174	136079	128555	109077	100215	112734	67032	85643	99366	92874	134383	95930	73410	113010	52198	79076	157564	134610	143725	163079	138233	164665	190219	91796	123847	83396	126130	98754	75513	91787	81415	82582	98602	155251	78729	153120	83504	155323	80100	165693	153994	224797	86065	6516	3973	5518	85220	99282	5447	104438	81519	114481	121480	97231	5050	131455	67742	52977	163205	77231	110060	132230	93754	108429	105393	50059	122642	79858	164992	141644	146123	210377	76544	59615	62260	111836	84422	4558	63150	125681	112695	101510	83920	76694	91909	90954	75765	140998	98519	96466	268752	104808	123563	228856	132399	191221	6250	123455	113241	71267	76544	77059	138351	70962	102599	64190	121572	76277	5006	88796	138294	Phytochemical	0.30769232	1.0	0.07692308
8	C13 H13 O4 N1	248.09174	248.0921	0.033960413	248.09174	89954	104538	77129	104900	75822	51518	60014	73619	88351	114805	82702	65731	87795	39673	61757	122622	109264	108777	131942	105201	132405	149333	75627	103387	49269	99829	70588	64638	68774	61679	59515	74006	106404	63621	152210	59353	105907	65788	135716	109743	190757	74217	4942	3203	4323	77669	98393	4154	87512	67963	89785	98520	80518	3801	111756	59182	55758	99532	52920	87937	89156	83759	95263	101493	49220	89667	69254	128849	111512	119778	177367	68265	64683	40320	68958	67723	2910	55208	106013	78896	77830	72444	68356	79278	68596	47572	95584	85589	82026	182120	68611	92768	170904	110704	150496	4634	104947	95729	67233	75312	66214	98531	60810	83577	30087	89824	62301	3039	69687	113174	Phytochemical	0.30769232	1.0	0.07692308
6	C13 H13 O4 N1	248.09174	248.09213	0.040044207	248.09175	94645	108070	80450	90680	72607	77419	83644	73611	90715	71912	56667	66910	80338	33650	110761	98646	102741	143098	178395	65766	101086	108530	122895	87825	67078	48905	101362	39691	72086	58569	70676	70973	150384	65814	83843	56115	137801	113195	167479	56121	103830	95485	3487	2764	4205	56379	76093	3810	95526	59726	98477	93859	104941	3503	113611	48172	86852	100011	33567	61137	86412	43144	78073	97182	54889	99475	113402	177175	70793	82846	124421	66035	54309	32110	59083	62453	2814	67429	176434	38399	128241	43580	36971	33277	60726	71734	163703	136004	109231	173152	55548	59670	161033	62914	79462	4135	90627	84966	54892	59715	60397	135683	90602	61359	31289	104449	52347	3106	76159	120770	Phytochemical	0.30769232	1.0	0.07692308
16	C13 H13 O4 N1	248.09174	248.09204	0.022876013	248.09174	69082	70251	71914	71345	59767	61910	67532	67302	44038	47840	49038	88942	60141	40971	54583	102360	343452	99911	79208	45170	48633	86207	70877	87806	45683	28144	84722	44655	70660	68427	75091	82258	119198	95141	65517	74585	132484	47173	388563	63370	84399	68820	29720	4361	5666	40662	48595	5721	105900	64671	71249	77657	66792	4672	34719	27319	37882	100890	31613	51693	91317	31858	54676	43712	29376	80134	69462	391810	31997	37215	53011	65878	67647	47500	120552	70616	4511	45677	74866	75398	52619	37082	35285	37073	37450	37470	89236	115874	84407	198686	68501	59132	121976	65128	71026	6569	64592	59960	33789	34696	37791	126236	58198	42972	18553	109606	38721	3853	73621	77824	Phytochemical	0.30769232	1.0	0.07692308
14	C13 H13 O4 N1	248.09174	248.09207	0.034879435	248.09174	121955	136852	118131	120761	102413	75638	113061	106073	81936	109460	95835	91245	97874	54178	69777	145271	183047	141703	125830	103605	111371	192941	77870	132844	89154	68229	113798	83149	90067	88628	105772	121600	177065	113668	123425	93314	190030	71599	267604	145517	206317	91455	6016	3835	4464	75721	96665	5397	140330	73641	128874	106688	106622	3938	80347	52260	66611	176221	47629	91960	125224	69595	82425	89185	51164	122464	94190	249837	50454	72017	138145	103251	104826	61820	111483	101846	3509	78296	112711	112420	91057	61795	82086	111079	59611	60932	125034	146438	128613	265903	137836	132454	235276	107421	137509	5544	127311	108706	56849	68683	57526	154606	88826	97136	29630	169058	54705	4311	105668	113348	Phytochemical	0.30769232	1.0	0.07692308
18	C13 H13 O4 N1	248.09174	248.09203	0.042347457	248.09175	29330	26234	24018	29962	30183	22825	24924	23891	20071	20601	22728	24622	27793	19915	20615	35889	34797	35455	35471	14378	21009	46868	29184	39705	20002	9968	20355	18665	32179	26259	30098	25445	38339	28793	26841	27885	50598	20920	38672	24494	37723	26919	5006	3175	4623	18729	17257	4722	34260	25333	27047	30365	26986	3427	28029	16836	17272	47391	9674	24440	39683	15066	25292	18127	14595	31137	24480	43318	9531	7003	20371	27469	24083	14939	26694	26043	4001	19626	33315	34996	28035	18040	14228	13654	20113	20748	37822	35832	29087	60943	33938	33872	54044	19196	27215	5502	28594	29835	16656	18767	24797	42332	22234	19688	7711	33799	16451	3936	25603	27826	Phytochemical	0.30769232	1.0	0.07692308
4	C12 H13 O3 N3	248.10297	248.10341	0.054696254	248.10298	16125	17646	14324	15651	16613	10183	9459	15921	10879	20211	14766	11210	16997	8682	14397	20807	26769	21814	21689	20426	26913	28630	15750	19715	14562	14506	11765	14857	12512	9341	9557	8226	16423	8458	27562	12222	13812	12086	33205	20667	31568	10529	0	259	305	17996	22362	0	12834	13479	15160	13886	14144	294	14028	9698	9716	17209	7652	19256	20773	16230	15682	11193	7847	18135	12904	24859	13799	15305	17720	9714	7352	7244	11501	9068	0	8562	19004	15262	13657	9799	10117	13276	17484	15768	18151	15703	10502	41290	13329	14887	44823	15302	17774	0	14663	16889	12249	15230	16940	16284	10783	16796	12638	19124	16973	0	16057	16098	Peptide	0.25	1.0833334	0.25
12	C12 H13 O3 N3	248.10297	248.10332	0.033226036	248.10298	6264	8488	6435	6053	5073	3322	8234	8547	3339	3504	3296	5523	1265	1821	5208	13175	16100	5645	7848	6521	5019	11469	6480	9980	8821	1499	4937	0	10656	4857	7017	9883	15674	9306	4203	9225	15739	7660	20676	5011	4785	8893	0	0	0	4166	3867	0	14365	5987	8997	7156	6075	0	2923	1401	3635	12010	0	0	0	5465	3482	2669	3093	7584	6378	22777	0	3234	5023	7685	6252	4308	6969	7439	0	4398	9852	0	10785	4802	7021	3990	3344	4035	9648	9290	5062	26433	9666	12058	24890	8293	7175	0	7865	9032	1956	893	1762	10474	6318	5306	0	13282	3470	0	9817	2569	Peptide	0.25	1.0833334	0.25
8	C12 H13 O3 N3	248.10297	248.10336	0.0697954	248.10298	47014	56688	47680	48232	21070	21592	34714	47752	12330	33980	24156	25380	15074	11926	37032	95148	71300	29566	38894	40528	43868	73166	38812	72768	52948	19802	38190	21040	45056	38562	40808	60458	61546	54282	45736	42178	64742	43714	95439	45902	57998	33802	0	0	0	40010	35974	0	57646	44810	50332	42412	32400	454	20774	7620	18108	77484	18536	38140	82092	21912	18720	17776	16956	21908	29760	90886	18094	31214	44912	42636	37368	21292	50136	38770	0	27376	60240	34184	43916	23712	24628	23362	16284	13542	66642	48530	45044	211560	58754	47512	138308	33400	50206	0	47720	45278	11192	10192	7420	61880	27330	33934	0	79404	11862	0	61604	24732	Peptide	0.25	1.0833334	0.25
10	C10 H17 O6 N1	248.11287	248.11319	0.005335156	248.11287	22353	24689	20025	20651	47425	43396	25223	37260	42419	7923	14059	21584	84038	48196	27012	30691	36998	83611	69132	12542	12958	9295	29760	18414	14868	5986	15877	20398	46251	35976	28811	31061	40524	38825	10489	40729	37870	21044	33220	1942	4648	48513	7145	2054	2681	9691	7849	2211	26934	21561	24978	25509	45272	4027	59586	31300	18713	29624	8106	9940	31021	1457	42502	43627	34044	68703	46198	26375	0	3413	2806	31450	39202	47876	33219	28227	2169	22616	14012	18850	10619	8412	23362	16831	48478	33889	16365	33543	40022	14962	20081	20702	18970	7228	4060	3202	26010	28363	26764	40598	55773	46964	20638	13836	0	19221	47209	2719	14182	56564	Lipid	0.6	1.7	0.1
8	C10 H17 O6 N1	248.11287	248.1132	-0.025044689	248.11285	30609	33322	32060	31174	52520	45187	24644	40049	54322	8771	16722	30721	96976	35134	32428	37294	50264	86530	87110	15889	10937	12805	34824	24383	20360	2969	22853	25140	54174	37585	39907	49363	50525	46331	13436	45947	54455	24687	42676	4117	6407	56816	4393	1553	2935	14899	12188	1468	41671	35156	31016	35041	47859	3629	71856	42865	28541	41495	11154	13326	40579	2606	51497	50716	34032	74340	49666	46494	0	3699	4569	35196	41809	49108	28829	38959	1700	31940	19599	14889	17371	10214	17057	9730	50636	37795	27183	43514	49077	23520	16324	19843	28587	9543	6154	2955	35144	42878	39489	54119	66566	58677	26798	20730	0	31739	53429	1307	17396	76183	Lipid	0.6	1.7	0.1
4	C10 H17 O6 N1	248.11287	248.11328	-0.004228387	248.11287	21572	24789	22816	21722	26277	20215	14362	29799	24450	5689	7368	17818	45441	20575	17491	27430	33185	50538	37155	10727	6625	13641	16054	26159	11667	1529	13927	4757	29197	25330	24726	27928	35063	30577	8744	30042	32227	16421	35555	3764	3450	25189	4632	968	1149	10810	5181	1032	29427	28420	24414	18397	25694	1368	28703	23323	13235	30587	6879	6339	29803	1984	29495	22859	15422	37737	20694	31171	3032	2743	2244	33030	32449	32008	12376	25006	712	18608	12483	6065	15469	5267	7690	2579	25982	20058	15580	28658	28142	17948	11705	10230	27047	4165	3681	1993	18890	22808	21939	28332	35369	29801	14440	11815	5146	22668	28848	823	10637	44559	Lipid	0.6	1.7	0.1
12	C10 H17 O6 N1	248.11287	248.1132	0.04328002	248.11287	8381	8447	11834	8805	31749	32495	12072	16780	24545	4223	12395	11846	39433	39135	15883	12292	26699	57733	50295	4976	1485	0	17782	9585	11235	1210	9702	15647	26699	15499	18589	14417	28069	24296	6184	27961	18394	13025	22735	0	0	31939	3334	2094	2386	2745	0	2253	15027	13565	11696	8583	32430	2660	29064	14430	15206	14203	0	0	0	0	26821	21699	16616	38452	40770	23349	0	0	1652	15176	16317	23680	14916	13382	2392	15063	7376	18331	7308	3309	5036	3831	24877	19357	12439	20300	36184	8102	9206	7950	8516	4746	0	2189	12323	14939	20690	25291	29033	22512	14651	2512	0	13082	25626	1953	5962	40372	Lipid	0.6	1.7	0.1
6	C10 H17 O6 N1	248.11287	248.11325	-0.011915193	248.11285	35846	33854	36218	36633	43854	41347	27681	47785	50560	12503	12727	27393	91958	38304	35211	47270	52427	103941	78625	15251	17580	17381	30810	33941	20418	2561	23659	12793	56352	40027	38525	46225	50828	46282	15263	51027	53249	24380	51887	4424	4965	52716	4190	977	1693	16354	10638	1066	45196	37721	33611	28265	46920	2510	64108	39983	26035	44825	9927	12276	53530	2482	57548	40181	30299	67741	51728	45614	3354	6163	4300	36588	40974	53375	23798	33873	829	25456	19010	11321	16587	9417	18735	5754	50174	39625	23430	45069	43322	25904	16105	26960	39246	7211	7229	1189	32549	40041	26953	46093	68015	61268	25008	19970	10387	38256	58701	1143	17308	80988	Lipid	0.6	1.7	0.1
10	C14 H17 O3 N1	248.12811	248.12846	4.92649E-4	248.12811	102516	96395	89999	86469	41731	38875	65449	87522	42179	151939	97272	65538	40876	25594	55914	131603	116333	58406	68878	185967	215050	143616	52347	107875	63323	208755	86841	87370	89792	93264	73636	102203	133795	91067	189228	85254	127680	53938	139559	155793	217464	52031	3615	3032	3185	93309	117542	2867	116986	76303	95559	103229	47490	2534	45650	20686	27550	120020	44319	100991	107621	83468	36285	40658	27183	48030	45134	137608	169184	214255	247941	85414	83782	92619	104518	86238	2144	54923	67649	94393	57781	69606	64662	110922	37385	29760	72239	60469	55594	147108	95025	86308	123199	109654	198273	3836	96068	88568	33829	28631	26158	114662	56437	114858	28896	89450	31666	2449	65701	43455	Phytochemical	0.21428572	1.2142857	0.071428575
14	C14 H17 O3 N1	248.12811	248.12845	0.015836762	248.12813	129475	132437	116659	126810	56112	47271	103036	111780	36844	185416	144090	90069	28071	34780	65485	123096	154018	55125	70467	190318	199667	189215	64969	112076	64057	182085	105121	101688	86175	89231	111984	132874	136283	130635	171754	94794	145378	63088	162540	217085	287828	57800	5567	2648	2176	99872	133915	3203	145884	97694	127702	114961	53102	2734	45889	21880	44434	156624	59193	145977	102413	93907	50160	38901	33985	58547	54809	174060	112629	174838	319969	113697	96765	88123	106206	117107	2356	70049	78674	96231	70194	75100	107645	175544	38808	28940	89895	86220	81889	230119	160767	143482	177428	144974	206506	3352	139199	110032	34272	26664	32098	116343	74194	140789	56933	135265	30655	2634	96903	52476	Phytochemical	0.21428572	1.2142857	0.071428575
20	C14 H17 O3 N1	248.12811	248.1284	0.036993276	248.12813	31978	30475	26377	24386	33936	24756	20581	33755	17687	41290	39684	19198	15646	15897	20810	35766	35143	28587	27943	45512	50251	40002	19174	39138	22718	19428	19646	46067	34846	24483	23601	31299	64059	39883	30115	30809	61293	16562	29787	37811	65964	26567	6911	3001	2417	27063	23878	4007	32877	24437	29573	28751	34074	2589	15785	9627	16271	40802	20213	33868	38700	25121	13551	18186	13398	21699	25765	35593	16504	9798	23720	27727	30175	20009	25567	32078	2326	18257	18957	46127	12223	18967	23553	35592	19654	15863	19723	29749	28602	36281	52257	42008	51882	39911	32877	4121	26799	27261	24280	8041	12882	64354	23755	37864	21102	31045	20973	3170	23347	22488	Phytochemical	0.21428572	1.2142857	0.071428575
8	C14 H17 O3 N1	248.12811	248.12848	-0.020613223	248.12811	118192	134489	89015	121808	49652	41493	86903	134717	45245	208713	121269	89696	38939	30151	78344	156273	169446	57830	86484	227670	270857	142383	78609	140208	64257	195877	113981	102817	126363	126212	116848	160719	163512	131561	246384	135878	178866	79649	205696	161647	204862	60168	3451	2001	2224	102905	121506	2690	171856	124606	112487	128601	56652	2258	53632	25713	37690	138484	34344	88122	134579	98216	47053	45980	31528	56708	60234	186701	147670	212314	280425	133025	131502	131392	132672	136772	1708	87856	90515	88859	73557	60461	55338	121911	30125	30861	87514	73295	68243	180474	114693	87020	174778	120484	177461	2507	118256	119735	31248	31496	34510	166959	81897	120068	40168	119478	31441	2105	88770	53871	Phytochemical	0.21428572	1.2142857	0.071428575
6	C14 H17 O3 N1	248.12811	248.1285	-0.02941791	248.12811	178516	189540	164143	180899	73815	64751	131378	235617	67543	306719	165172	126916	64982	41873	116913	248298	218570	108691	148454	325541	353905	206493	117201	236652	108045	236676	127827	127099	200394	206457	197875	239234	273438	228608	362865	214990	276574	112438	285996	167547	232834	82360	2893	2040	2205	149206	151906	1857	264692	203016	195166	180959	85038	2247	92695	35464	47562	226857	29201	125752	219359	103954	70508	62603	39428	83457	90787	284160	187370	298110	369345	207422	214629	227925	186976	204580	1656	120177	115701	95321	112510	62158	73354	151951	50080	49853	133062	114755	109981	298848	143940	110024	288876	137756	232157	2345	174126	152375	38217	37765	45368	253163	120869	175724	60962	205290	41255	1605	123482	88683	Phytochemical	0.21428572	1.2142857	0.071428575
12	C14 H17 O3 N1	248.12811	248.12846	0.010692424	248.12813	135413	160950	137687	140273	45569	42630	96905	106531	41330	157232	110820	64357	32152	27114	63975	193319	130946	57458	69033	217038	214170	198607	54525	170503	62536	179519	116295	80217	98278	125186	89727	151097	125365	114765	168248	112245	150692	68058	175763	184281	322995	69427	3018	2835	2539	114368	176944	3098	168093	119763	139441	157731	59724	2333	45947	19445	39074	143849	66204	132683	127553	102210	49970	39593	31645	57411	52519	154340	124514	201399	255860	97269	100829	109924	174197	136397	1796	65902	73578	82131	66003	86150	106466	125681	31349	36564	81812	73846	63942	193561	176532	150765	165690	115164	259533	3063	135599	130036	33312	25687	28624	179502	61611	173577	50765	111993	33998	2435	74655	60543	Phytochemical	0.21428572	1.2142857	0.071428575
2	C14 H17 O3 N1	248.12811	248.12856	0.012813971	248.12813	263099	277571	225125	255437	128591	116292	151298	305721	116259	417146	243094	166793	137264	81247	165285	404990	325292	205974	233135	423794	458741	351307	181058	308470	164204	208706	193499	174472	285128	250879	248272	287926	354565	240623	491929	283174	339377	157659	346254	286839	301917	162875	3133	2188	2575	145359	177027	2207	343903	242080	244490	262132	142190	2419	201045	62858	75420	359665	57024	145705	356114	144886	152540	155870	67776	164564	178215	398095	201636	263106	332859	257903	265736	253489	384658	257130	1639	162239	215479	114673	150313	67137	99197	155596	77320	78191	226796	172484	203058	508808	196629	201179	469676	185607	349704	4190	257179	262203	85331	63348	68723	348703	159800	340511	85211	291686	66983	2646	170696	164192	Phytochemical	0.21428572	1.2142857	0.071428575
22	C14 H17 O3 N1	248.12811	248.1284	0.031968206	248.12813	10084	19880	9648	10601	134262	5764	6834	5471	8601	6103	9077	5835	2468	4515	4790	12680	12813	45306	37711	6046	8995	11235	4897	12753	4897	3353	5551	7196	8156	10324	6975	12632	23247	9919	3787	9748	16643	7083	13553	9693	15080	8441	0	3331	2742	9029	6726	4149	10868	4092	10745	9093	36716	2161	14503	3061	7363	19734	5721	9318	11222	5446	24400	15267	4605	10616	5697	16402	4243	0	3161	7153	10265	5895	6933	15274	2667	5511	5269	9238	11323	7234	9962	3791	43189	3450	6697	13017	11973	15555	18318	8564	14718	7060	10266	3579	10786	9182	7814	2836	4242	19083	9323	9512	4643	10622	27227	3706	8801	36327	Phytochemical	0.21428572	1.2142857	0.071428575
16	C14 H17 O3 N1	248.12811	248.12842	0.01203222	248.12813	110939	124129	103308	102720	88333	58652	67644	91246	33019	283403	221198	66911	35927	36008	61056	113992	126793	81550	81437	357575	350814	185756	57135	112918	67589	174259	64169	179879	79309	80642	86474	104669	118300	89141	290554	94151	108736	60408	128716	224563	331855	53981	5344	3281	3327	95065	115140	3796	118914	80372	117356	115815	78248	3514	36987	23695	36700	116715	59855	119431	99710	133022	51869	38439	31753	74040	65486	125551	142368	184085	251284	95290	88707	80941	103324	96060	2215	61465	72954	176821	55216	79535	86646	173349	55091	36850	79056	74597	70409	186316	156488	167198	129562	183586	221407	4095	110234	100977	34950	29765	32285	113014	51746	103398	59155	112479	47355	2767	83289	59556	Phytochemical	0.21428572	1.2142857	0.071428575
24	C14 H17 O3 N1	248.12811	248.12837	0.024616938	248.12813	9780	8071	7198	7934	49976	44562	5810	14381	4765	4877	5321	15008	0	3697	10601	18233	12527	58172	19420	3853	6604	4659	8504	17615	4388	2215	5723	3442	13870	14635	11784	13985	14453	13890	2520	17028	16634	9558	16032	4538	5814	10010	5853	5652	6338	3114	4222	5458	22746	16969	9729	8220	49670	0	9085	1553	7269	9797	5065	10038	12355	3979	5508	15344	8212	2631	9245	11242	1834	0	2758	16107	15011	17798	14307	15482	0	12030	6342	5023	8147	5332	7817	3512	73582	14567	3341	9264	11145	6644	5351	6882	12840	1589	3599	4845	8334	10513	6583	1774	2380	15579	10826	13808	3448	13005	27431	6414	7290	11820	Phytochemical	0.21428572	1.2142857	0.071428575
4	C14 H17 O3 N1	248.12811	248.12854	0.006609173	248.12813	245105	265345	232669	243557	112839	90307	304106	297889	113888	387916	198904	182052	104887	55668	161666	311880	328367	172099	205080	413013	485509	340752	172693	296177	133273	217183	157421	184237	230940	204046	226182	256468	312174	223890	473936	262445	286950	150914	352420	257280	341978	138545	3750	2353	2562	180903	208744	2985	290983	281435	238910	194592	134287	2614	185143	52857	79828	277069	49541	199903	273518	160556	131106	134403	57137	133142	124633	340241	206709	293682	377012	226260	242488	255964	270583	238423	1818	175176	199913	138759	186576	91864	122334	188433	80703	76599	200689	164838	161211	411780	188546	159464	396513	197186	309467	5102	219343	255816	82660	64109	66087	293161	171030	296401	100033	253707	69300	2746	170275	137876	Phytochemical	0.21428572	1.2142857	0.071428575
18	C14 H17 O3 N1	248.12811	248.1284	0.024043618	248.12813	85638	85138	75963	71353	64370	50294	44068	59978	29649	178879	165006	34981	37384	30078	39441	75491	73998	52548	58469	213803	202595	119992	35906	74629	37538	76655	38227	160036	64104	59010	60566	59091	89546	69045	164105	67326	84815	36597	71489	164324	228833	42783	5906	2902	2788	71722	66543	3155	63243	49992	70223	73548	51269	2439	28672	19164	32661	82178	55943	77020	76209	113414	38961	25693	21201	48831	59839	73231	63100	75510	115341	60232	45042	47487	47043	52561	2470	31512	34905	129229	26362	56660	55068	127071	31818	28639	36706	56564	46976	80059	126994	144139	88414	124642	166113	3518	76030	73235	139874	18874	24597	86916	34013	90269	42867	61192	47103	2712	36963	50003	Phytochemical	0.21428572	1.2142857	0.071428575
10	C11 H21 O3 N1 S1	248.13148	248.13177	-0.043868136	248.13148	9254	9543	8774	9789	0	977	11532	32219	0	0	1635	29745	0	0	24727	33188	16953	0	1134	1190	0	7659	20609	19953	13457	0	11630	0	17611	23110	28533	19145	16486	3809	1258	20393	10852	34370	30643	0	0	1453	0	0	0	0	0	0	20257	27563	9630	10362	770	0	0	0	1727	51877	0	0	19815	0	0	0	6121	0	2560	28402	0	0	0	6234	6835	18729	19585	20962	0	22340	9942	0	13700	0	0	0	0	1243	15553	2490	5184	33894	0	0	20684	0	0	0	7979	7043	0	0	0	11958	25137	0	0	19794	0	0	22214	0	Organosulfur	0.27272728	1.9090909	0.09090909
8	C11 H21 O3 N1 S1	248.13148	248.13177	-0.056240056	248.13147	5205	6152	4147	5173	0	0	3413	13053	0	0	0	6131	0	0	8057	11743	6004	0	0	0	0	23087	23741	7113	8724	0	1252	0	3356	13619	9600	4608	5136	1460	0	5544	1981	9438	6579	0	0	0	0	0	0	2221	0	0	4573	19122	4923	4441	718	0	0	0	808	17026	0	0	0	0	0	0	0	0	906	8752	0	0	0	1164	1682	7134	3379	11774	0	6367	25688	2719	40329	703	0	0	0	0	16890	0	0	92169	0	0	73068	0	0	0	4962	3162	0	0	0	3175	6149	0	0	11604	0	0	11758	0	Organosulfur	0.27272728	1.9090909	0.09090909
20	C13 H17 O2 N3	248.13936	248.13962	-0.04281659	248.13934	1928	0	0	0	0	0	0	0	0	2756	15593	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23783	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2512	0	33528	0	0	0	0	0	0	0	0	3300	0	0	0	0	0	0	0	0	0	0	0	0	0	10440	0	0	0	0	0	Peptide	0.15384616	1.3076923	0.23076923
6	C13 H17 O2 N3	248.13936	248.13974	-0.00409201	248.13936	8633	10354	9890	9419	3449	4817	7757	14186	3240	15526	9511	6253	1450	2644	8550	16148	12358	5551	7813	15835	15147	11125	8861	18543	10607	5325	8824	8795	10729	9422	11320	12219	17434	12064	13697	9648	14283	6817	17275	10789	11594	4108	0	0	0	8091	10849	0	12876	10544	9676	9184	6353	0	3017	760	3531	14302	4400	7166	14254	6170	3484	2003	3818	3998	6897	21156	5187	6351	9930	11527	8206	8597	11604	8903	0	6527	10054	5260	9241	4209	6013	10540	2058	2972	11083	7155	5877	29023	9507	6311	26453	9218	14325	0	11182	10872	2540	1263	1766	13281	6313	9727	0	13957	1997	0	9034	2169	Peptide	0.15384616	1.3076923	0.23076923
4	C13 H17 O2 N3	248.13936	248.13977	-0.036679678	248.13934	14833	15797	16277	15345	8864	8374	13187	18849	5657	19674	10994	10657	5510	3908	10517	25930	32328	11022	14622	22272	25347	23857	11965	26792	16435	8445	12024	14982	13861	11018	12761	13866	21354	12761	33415	14770	16506	11604	28299	13839	16314	11355	0	0	0	10159	11834	0	16272	17207	15743	12662	9827	0	5872	2991	5819	24300	2670	5019	22194	7663	5393	5410	4532	10632	10558	35563	5555	8693	10320	11892	11437	8876	24324	12715	0	9121	21661	9778	17722	5689	5546	10074	6058	7597	22807	14235	10355	77740	16951	7989	51190	11251	15935	0	14464	14750	4979	4012	4160	17262	8610	13265	4755	25553	5645	0	23883	5051	Peptide	0.15384616	1.3076923	0.23076923
18	C11 H21 O5 N1	248.14925	248.1495	-0.056443136	248.14923	4707	5091	5452	4176	6818	2461	16070	7854	2256	0	2726	8618	6125	2439	1901	10288	51584	7290	4835	0	0	0	1298	1687	1677	0	11510	2807	21237	18262	7815	28307	23345	26311	0	27713	18986	3139	48441	0	0	7921	724	329	462	0	0	365	19108	12699	6827	4275	8907	1266	3324	1421	2105	5368	0	0	8115	0	0	2287	2404	4427	3326	45971	0	0	0	10088	28971	24378	51526	19640	411	4931	0	0	0	0	0	0	2976	3610	1371	15334	7125	2319	0	0	2206	0	0	523	6962	4459	3544	2398	4423	37765	0	0	0	5522	10641	543	3450	2641	Lipid	0.45454547	1.9090909	0.09090909
2	C11 H21 O5 N1	248.14925	248.1497	-0.03166723	248.14925	13346	14212	23834	23276	30779	23408	4869	14330	17252	6543	2678	4965	42463	23104	19146	21540	5086	33934	52738	7501	6596	12918	17364	12796	8904	717	2705	4225	19237	9882	17588	15912	53940	15900	9277	12749	16137	12522	5848	4659	2657	14765	1459	0	0	7121	3113	0	16340	7326	11362	13993	43220	232	24908	9327	9358	26805	5526	1443	11537	1362	33822	22606	5254	83150	47050	8065	1092	7566	1952	13732	30508	11797	2812	13228	0	7116	3606	5616	7422	2079	2193	1750	8797	8029	13058	27652	32670	17542	23106	18406	33184	2998	6382	0	26070	15099	7355	14781	11094	14326	10520	10205	3039	30108	9986	0	3933	48282	Lipid	0.45454547	1.9090909	0.09090909
10	C11 H21 O5 N1	248.14925	248.14958	0.017341482	248.14925	17706	11884	17547	10934	12683	17319	67850	14039	7699	3446	4209	7988	20078	81011	11435	17750	18140	21239	13249	4034	6853	4385	9091	9571	13433	56002	31413	9297	17395	19311	10994	14603	13976	14159	2449	18615	14532	11207	17586	2292	3958	16844	8453	0	459	5983	8326	0	16979	14173	10604	14412	9085	5828	6966	8094	6805	16873	0	12203	22401	0	27151	5586	51875	25088	19909	15182	0	4640	3379	10069	13605	18197	14395	14978	0	8429	10786	9083	7585	7522	216449	203411	15844	16120	16140	11122	9371	17497	5979	4797	15233	6471	10866	1297	14733	17376	6998	12731	16180	19824	6571	5716	0	10549	11229	0	10420	18110	Lipid	0.45454547	1.9090909	0.09090909
12	C11 H21 O5 N1	248.14925	248.14958	-0.017568626	248.14925	11631	7200	19422	10944	9089	31052	73889	43406	9289	1995	0	13982	9005	202182	64200	9787	12705	14165	20289	5593	1509	0	39936	6198	56538	33744	5416	0	58287	10682	57530	73681	21674	121436	0	81323	12640	25172	12817	0	0	29458	6136	420	405	3857	0	0	26762	20499	14251	10176	11474	3001	13050	7311	9547	34012	0	0	0	0	20095	7082	59935	12313	36260	5077	0	6160	2838	34101	38828	45898	2999	23601	229	30804	8624	0	5045	3409	275568	156686	6790	19472	13731	147008	27659	0	2766	3964	21354	0	1098	3061	14835	23082	6071	3221	7472	9349	23021	0	0	15159	5501	0	9365	11576	Lipid	0.45454547	1.9090909	0.09090909
8	C11 H21 O5 N1	248.14925	248.1496	-0.039284732	248.14925	9137	10897	10589	12222	11355	18083	11809	14695	7385	12289	3825	6636	21019	34805	10028	18049	15378	15744	17194	5065	6317	3972	8291	9845	8583	3578	10160	7443	18100	16369	12058	16181	21226	11897	12450	16963	12641	6463	14196	4091	3020	17171	1643	0	295	11974	7481	0	19554	26243	10808	9084	9278	10403	12828	6897	7114	9216	3190	6340	18805	0	37673	6330	13986	38950	15946	10863	0	2720	0	9955	13362	12386	11513	14948	0	5499	4989	11238	4404	4790	15540	15907	10872	12718	9370	11792	8678	9365	0	0	14321	3511	14396	493	14552	14797	4965	8181	15092	15690	5999	8766	0	8127	11703	0	6581	56432	Lipid	0.45454547	1.9090909	0.09090909
6	C15 H21 O2 N1	248.1645	248.16489	-0.021410039	248.1645	201283	219476	193795	204096	72882	106817	148363	311260	31008	265452	124827	152362	31249	41314	148709	445581	331946	123877	163957	265097	271570	130000	156698	364505	188060	65668	182229	121266	261308	238337	252475	320075	381204	302832	305403	237488	368596	146464	368079	108396	59235	158526	897	306	266	119306	76617	0	425564	229270	209614	219090	151045	266	37484	14544	69821	450952	1226	20330	414515	46360	28304	25667	55631	124595	191119	526338	46370	112051	110275	260372	232933	219774	302709	253390	0	143607	170181	70819	159245	9677	10913	105493	23152	64206	203832	227499	217097	360262	194051	28162	462327	88949	205882	426	196021	178085	20163	12966	26735	348273	134208	119106	31048	313850	23281	322	160162	37662	Lipid	0.13333334	1.4	0.06666667
12	C15 H21 O2 N1	248.1645	248.16486	0.04495247	248.16452	14439	23220	25112	16166	7763	7095	14330	18620	4393	31322	19410	10505	3317	6200	9982	27016	22004	8422	15432	36966	36723	15281	12385	31316	11427	28171	15091	15816	17058	17516	14792	19631	18970	17459	27861	18177	21475	8586	26885	21910	27822	8496	482	0	299	11693	14530	0	26573	16037	19391	19375	9367	290	6653	1838	4384	30757	0	9791	18571	8963	7058	4707	4273	10147	8886	29267	0	31040	41742	17580	17978	18637	24636	18774	236	11784	15139	0	9962	4994	4236	17741	3863	4577	33579	9479	8812	58119	27871	13324	41364	12802	33511	0	18087	18515	2743	4703	2676	20428	9285	15083	0	18100	4515	352	14453	7183	Lipid	0.13333334	1.4	0.06666667
2	C15 H21 O2 N1	248.1645	248.16493	-0.059131622	248.16449	224207	222509	206904	207658	10569	21929	131077	489226	6903	150381	64735	150980	8862	12041	114716	721795	217663	23434	37711	202484	160915	270179	99575	356603	142976	63215	176316	50727	431753	396775	487585	598523	239392	450622	155446	520035	257552	99751	229938	133821	76668	47383	706	364	0	82900	71221	306	521341	353034	202147	216918	27573	391	15075	3312	17830	588296	3322	6309	604874	48784	7762	17113	21142	24760	50536	269800	43018	87719	72137	410739	467975	493946	583230	395528	277	162196	115208	60627	105832	14812	28978	96437	6049	19471	115931	50116	62837	718272	173787	58835	718527	67815	218022	871	210768	211446	7507	3598	3927	262019	134614	218900	25355	325943	5106	0	130942	9750	Lipid	0.13333334	1.4	0.06666667
14	C15 H21 O2 N1	248.1645	248.16484	0.033991195	248.16452	14327	12614	12620	12316	9852	3299	6486	7949	1924	22186	14392	5063	5597	6635	5509	17020	13083	8008	13251	20290	28538	14125	2774	11732	6945	29036	8090	10837	6852	6557	5672	7053	11097	10077	20128	6020	11451	3862	13811	23006	35308	5705	0	0	0	11293	17642	0	12900	7323	12856	9632	6623	314	3765	1956	3067	12577	0	9797	0	9096	4139	3929	4958	9414	6474	14939	17491	32959	52622	9435	6182	8272	11797	10146	305	4977	7718	0	6311	7836	6861	18880	6833	2878	9904	7738	6706	52609	23042	13511	26993	13241	19845	0	14467	12470	4383	5488	6674	14024	5295	8292	0	11162	5272	0	9519	2751	Lipid	0.13333334	1.4	0.06666667
10	C15 H21 O2 N1	248.1645	248.16484	0.011663824	248.1645	40865	40524	39541	36595	15363	13413	23326	47431	10402	94320	50556	27427	9695	10555	22853	63018	40902	16155	26347	97847	118220	34902	26040	62962	30212	35149	29354	47741	43478	41645	37423	51426	68082	48562	105646	43086	56764	22141	57253	56258	40229	16857	743	0	295	33945	35134	523	56759	38569	45483	31564	17273	0	14755	4884	8075	61480	0	17915	58579	18710	13453	12220	8627	16886	21747	64128	23581	40450	48364	49513	45392	43795	45592	43798	0	21514	24325	34633	25568	6145	5784	36135	9053	11144	28082	22105	23463	81146	68863	10044	86212	42540	85725	499	37734	41711	6284	6094	7614	49777	24395	34447	0	50594	6084	0	30629	12614	Lipid	0.13333334	1.4	0.06666667
8	C15 H21 O2 N1	248.1645	248.16487	-0.004346144	248.1645	60933	65649	54358	56727	30669	23459	34604	59673	15720	168352	86247	35845	10993	15585	31218	75197	67520	31356	45644	217036	209047	53335	26476	53708	29887	53531	51316	88641	54254	46330	64334	68584	72176	59292	222077	52255	81576	26163	80243	84854	38048	29958	899	0	253	42471	46977	0	82997	54033	58942	62005	30074	422	19400	4661	18823	66434	0	11526	63045	29681	16391	15958	16812	24286	40211	108375	32743	64070	70782	57889	59083	40737	51944	54521	241	34932	29579	43575	25719	5324	4663	63186	9879	11318	33321	34512	34957	108175	94738	14252	93731	60961	116156	372	52511	53516	14354	5643	7149	68736	35609	41082	14754	57212	14881	0	32279	17812	Lipid	0.13333334	1.4	0.06666667
20	C15 H21 O2 N1	248.1645	248.1648	0.04470968	248.16452	16172	16381	19502	15285	8306	8805	8620	14276	3329	23683	23804	6349	3994	7020	3815	15865	17218	4463	3762	27748	31851	34471	5079	15149	7069	55025	10372	18807	12375	7686	11232	12769	14275	12323	26313	13387	10893	6290	21034	34845	64444	10649	881	0	0	26947	43545	741	16477	10440	21180	13623	5669	1731	2839	4283	3520	19122	9906	34120	14386	19979	2406	2271	5518	7382	6264	24950	35370	44087	76631	8731	11975	11041	21189	12373	447	4149	9269	45686	5605	22413	16426	30525	3584	3943	11055	9743	11063	44199	57680	51930	28724	49554	39854	592	17132	18709	3809	4083	2371	15989	8461	25947	23824	15611	2586	0	9201	3516	Lipid	0.13333334	1.4	0.06666667
16	C15 H21 O2 N1	248.1645	248.16483	0.056224156	248.16452	16391	21360	19022	20136	8204	4250	10311	11582	2903	44998	39265	6636	5889	5718	6445	14675	16131	4606	6892	71868	62152	28919	6417	10696	6499	65998	9508	34508	5137	7527	7462	10236	9290	6645	50249	7201	11086	3911	23174	46259	82766	6439	549	0	0	30283	51189	0	12355	6331	19151	19749	5952	361	2695	2573	3036	17028	7464	28473	0	28160	2515	1860	3927	7597	5683	19623	52879	69246	101699	8056	5499	6095	14317	7684	0	3380	12977	38816	5408	24156	14732	38510	4623	3178	11759	9148	8057	52993	35770	32729	0	39241	41455	0	21576	16137	4136	3098	1407	10280	4665	12917	16164	12738	4168	0	11491	3558	Lipid	0.13333334	1.4	0.06666667
18	C15 H21 O2 N1	248.1645	248.1648	-0.003214283	248.1645	33748	33901	34693	37680	12409	7176	15481	9705	3822	71058	55363	7420	0	7105	7590	27806	27388	6222	8888	76042	98900	113590	5468	32168	14061	103786	17411	55451	12405	10220	9096	14330	11959	12719	55130	9988	13981	5352	28840	80279	135210	7709	1937	0	0	45766	81723	364	12964	10000	41398	39373	9999	512	2420	4966	3172	25767	15138	44979	17269	49971	2178	3789	5444	7433	10371	28761	73506	73006	131175	11088	10931	11125	19549	11325	251	6495	15606	105090	11109	45980	21277	58170	4619	8079	20160	13907	8315	74030	353782	346736	45697	120985	161568	0	36363	29458	7415	4583	6668	14535	5804	34538	32440	22048	7800	0	15843	4468	Lipid	0.13333334	1.4	0.06666667
24	C12 H25 O4 N1	248.18564	248.18546	0.22125909	248.18568	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8726	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	979	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29071	0	35261	1041	1356	0	0	0	0	0	0	2469	1416	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	2.0833333	0.083333336
2	C12 H25 O4 N1	248.18564	248.18605	-0.066777654	248.18562	8887	9241	9790	8363	4119	34437	2348	40054	4757	1087	0	815	3895	65437	2103	54697	3670	5059	27094	1028	731	2554	2305	11591	1293	2874	4723	2447	7973	7818	19862	19250	2354	19694	840	23947	5573	2535	5158	708	0	6142	0	0	0	2059	656	0	8455	23568	8374	9713	18122	0	2666	36034	4320	32755	0	0	29344	227	2230	1458	3190	9450	15510	4524	2516	5403	2977	8940	23029	22652	4123	16705	0	1299	3824	5495	1273	0	2154	6213	4497	3485	11036	6258	13930	29831	5687	2358	9409	1008	2140	0	9265	9877	16453	4972	9341	2398	858	1248	1041	17802	10465	0	697	3888	Lipid	0.33333334	2.0833333	0.083333336
4	C16 H25 O1 N1	248.2009	248.20131	-0.007522334	248.20088	10568	9929	10758	10091	424	1007	13979	36763	349	10813	7190	11518	0	0	9962	25692	13622	990	2605	19141	13338	10610	7674	24689	9495	7216	21206	6675	18112	14691	18172	18291	15865	16877	13705	21290	14982	9753	11081	13335	920	3041	0	0	0	6074	11054	0	22942	27541	10695	8828	930	0	536	0	1020	16609	0	0	19497	6107	438	328	1584	1431	3785	18244	2568	4241	5715	22557	17711	27019	20221	19545	0	10670	6641	10869	8240	0	220	15167	0	959	4719	3300	4086	39104	17266	587	24554	4667	26535	0	7359	10874	846	0	0	16129	8147	8117	4610	14212	0	0	6447	327	Lipid	0.0625	1.5625	0.0625
2	C16 H25 O1 N1	248.2009	248.20131	-0.01946136	248.20088	5954	5873	5091	6009	0	0	1787	15675	0	1680	975	2556	0	1276	3521	15355	4708	0	0	3935	3171	1379	3246	12575	6577	579	2116	0	10230	7766	9070	10233	3852	9383	1227	8802	4511	2201	4025	2461	684	0	0	0	0	1924	1529	0	12196	12541	5936	4663	0	0	0	233	0	11858	0	0	13108	871	0	0	0	0	1020	5727	0	941	722	8459	6384	7623	7474	7175	0	3762	2546	0	2845	0	0	2344	0	0	1729	1051	1169	89122	3645	0	110988	1158	2876	0	6625	6892	2671	0	0	2995	2004	3721	693	25543	0	0	3519	0	Lipid	0.0625	1.5625	0.0625
24	C16 H25 O1 N1	248.2009	248.20114	0.026085816	248.2009	3382	3233	2393	3274	0	0	2593	4231	0	1522	1922	1299	0	0	0	6512	1593	0	0	2422	1426	0	0	1535	2221	49291	2916	2931	1732	8336	16045	2724	1401	1715	0	4173	0	1090	0	4684	9323	0	0	0	0	33049	62211	0	7018	2752	2726	1824	0	0	0	0	0	30944	0	1615	1566	2881	0	0	0	0	0	5388	26822	18543	30940	2352	2424	3943	15006	3421	0	0	0	3697	0	30338	1319	8338	0	0	0	0	0	1856	3221	0	0	0	0	0	2478	2453	0	0	0	0	0	1571	28915	0	0	0	13637	0	Lipid	0.0625	1.5625	0.0625
26	C16 H25 O1 N1	248.2009	248.20105	0.050151847	248.2009	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17077	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2230	0	0	0	0	0	7699	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10817	6329	5105	0	0	0	0	2176	0	0	0	0	0	5592	0	2523	0	0	19940	0	0	33992	1538	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0625	1.5625	0.0625
6	C16 H25 O1 N1	248.2009	248.20126	-0.031326752	248.20088	22211	24049	25029	22454	924	1653	24762	41782	0	20182	10900	17716	0	711	22731	52553	20456	1246	2992	28834	21410	9579	37636	124030	46911	9881	36802	10471	30705	34412	34248	42237	27951	36390	20048	32569	28643	23009	22782	14744	521	4078	0	0	0	25461	15049	0	44805	33112	28988	24514	2540	0	0	0	4184	66010	0	0	59606	4207	0	0	2859	2242	8115	38480	5568	8774	10699	36104	31698	44567	33939	31931	0	17394	98430	14552	75707	0	0	13304	0	2126	50264	10851	16323	112194	68094	0	185430	19231	51878	0	23179	22671	0	0	0	26830	15474	10053	0	62878	0	0	28899	0	Lipid	0.0625	1.5625	0.0625
4	C13 H29 O3 N1	248.22202	248.22243	-0.076010406	248.222	20135	17803	16892	17388	0	1617	47635	7703	0	20129	60402	4072	0	523543	1636	823	4009	0	790	25229	4875	3506	5747	1545	0	0	36459	156895	0	0	0	0	0	0	12290	0	1763	7569	968	1493	11665	1445	0	0	0	2201	20445	0	0	1477	19277	18107	0	0	0	8668	24086	6156	0	658	101940	44968	58800	0	365827	0	87776	4995	176776	59889	15160	463	0	0	0	1017	0	623	0	225713	0	1184	0	422	843	4904	0	0	946	6152	4405	2418	1850	36014	1163	0	18370	20706	12539	0	0	1268	806	16771	10577	433	0	0	0	10922	Lipid	0.23076923	2.2307692	0.07692308
18	C11 H8 O3 N2 S1	249.03284	249.03305	-0.002513675	249.03284	5401	3221	3462	2158	1469	3570	2756	3860	0	0	0	2971	0	1243	0	7501	3821	0	2757	0	0	8230	2769	11605	2041	0	3795	0	0	2099	3411	5625	7166	6710	0	3998	5890	1379	11753	0	0	2391	0	0	0	1306	0	0	7412	2189	4406	2891	1569	0	0	0	949	11294	0	0	6023	0	0	0	1169	2159	3242	9823	0	0	0	4446	3757	1858	6582	5174	0	3231	8262	0	4816	0	0	0	0	0	7450	3486	2533	28492	0	0	19589	0	0	0	4810	2168	0	0	0	2701	2509	0	0	9453	0	0	7068	1792	Organosulfur	0.27272728	0.72727275	0.18181819
6	C12 H8 O6	249.03937	249.0398	0.14856757	249.0394	4094	5775	3050	4053	13836	4211	1336	898	14155	1990	2960	1840	22355	8384	1460	2490	2015	14107	16342	1858	2355	4603	3472	2617	1286	585	2023	0	1722	1572	1186	1164	3934	749	4895	1406	2574	2069	1373	0	2694	5053	902	764	1506	3671	0	1507	0	1209	2607	2856	8417	1290	12838	15262	6398	2263	1164	1728	1716	0	24924	10852	3273	16860	4191	2587	0	0	0	787	1394	1280	0	790	1407	1465	2635	0	3796	1738	891	0	15563	4902	2254	7369	8010	1435	0	1118	1766	2465	2257	1375	3416	4366	9150	21395	19520	4061	2437	2135	0	1330	9851	947	930	23171	Phytochemical	0.5	0.6666667	0.0
18	C12 H8 O6	249.03937	249.03966	0.060692597	249.03938	19110	14265	10875	13173	38511	27605	10808	5278	23376	3758	2589	11347	53027	39294	16875	13812	9213	53537	45854	4102	0	8704	20346	15993	11433	0	11105	0	11446	4927	8876	8716	13518	6301	5858	6969	19780	16101	9321	3845	3004	18670	3000	1722	3114	4253	4513	3824	7956	5652	11749	11115	32672	1518	27206	17421	19206	13861	1854	2140	12253	979	56543	28175	18860	53464	22745	14207	2605	3714	2086	6630	4419	3039	6042	4632	2435	8043	33686	5834	29022	6850	1449	1565	42797	27080	28738	27566	30345	11305	6534	2423	12957	6195	5651	3572	15245	12379	22033	28967	26241	9439	12449	2055	3173	10402	18364	2378	12485	45533	Phytochemical	0.5	0.6666667	0.0
12	C12 H8 O6	249.03937	249.03972	0.08706069	249.03938	29287	34804	31612	25734	66411	42447	19408	14877	67944	11614	18656	18973	88568	51193	25226	30944	21173	102646	107778	5094	9493	15363	32268	22927	12181	1274	16833	9937	18879	19428	15971	22035	36114	22392	18803	19977	29684	24759	21291	6503	4062	45202	2500	1562	2824	12827	6931	3215	22087	12298	37445	32642	57706	1618	61682	46233	35886	30717	5905	0	31182	1642	126165	74462	29674	98881	41981	19846	0	4803	4360	15900	15953	13164	24504	18702	1316	21895	30185	20169	25605	8792	3111	1215	56923	38783	45094	46242	53781	24025	10065	13763	19427	14718	10025	2772	35773	27140	43569	60642	62682	34965	24173	4494	0	24271	44454	1438	14211	114976	Phytochemical	0.5	0.6666667	0.0
14	C12 H8 O6	249.03937	249.03969	0.06621617	249.03938	32800	38541	26842	30632	84033	56593	21791	15996	78637	9848	14053	27522	100369	69128	29471	21638	19174	127175	112602	6437	8770	16252	38852	19173	15418	2118	25517	10055	16671	15362	19163	23451	40306	22697	15377	18827	38972	25797	25014	4068	3367	42949	3121	1500	2301	4737	5339	3503	22501	15560	37631	33743	55082	2252	67228	41297	48378	41132	5493	0	0	5064	122637	69797	37551	112133	51465	29383	0	2113	4538	14828	16848	9247	22874	20195	1713	25059	43711	0	42957	9118	2326	1515	72873	39626	51510	61159	81646	30977	13281	6969	20840	9934	6427	3602	34518	28554	50356	76594	72012	37708	25493	7034	0	27088	39948	2078	23552	99562	Phytochemical	0.5	0.6666667	0.0
22	C12 H8 O6	249.03937	249.03964	0.06396195	249.03938	6301	6972	5408	6379	18480	13597	4730	1829	14797	1760	0	3985	14756	18386	3139	2276	2977	26229	15590	0	0	3530	5926	2163	3434	0	4085	0	0	3974	3370	0	5656	1374	0	2219	3577	5626	3751	1829	0	6434	0	0	2559	2578	0	3655	1822	0	6086	6500	14998	2578	16543	11844	11055	3997	0	1263	2428	0	24242	16023	6662	21442	10277	4049	1454	0	1887	1369	0	1613	1233	2284	2634	3207	16960	4505	18062	1646	0	1697	17456	13691	14186	8492	12252	7023	0	0	5946	5289	0	2729	5182	7661	15246	18547	13783	6132	5431	0	0	3486	8150	0	5426	26129	Phytochemical	0.5	0.6666667	0.0
20	C12 H8 O6	249.03937	249.03964	0.032465115	249.03937	6703	13258	3804	6171	25795	14016	7517	2455	17451	1929	1866	4763	26742	22032	8234	8441	5537	20494	21641	0	3161	5314	6177	6129	4054	0	7319	1438	2760	2069	4808	2922	6391	2797	4862	4359	7920	6579	3173	0	0	7112	2924	1862	3049	2050	0	3977	3115	1594	8014	7142	13686	1908	11234	12819	11712	7095	0	0	7089	0	31887	16316	8608	26457	8944	5638	3466	0	2791	2238	2710	1479	2208	3484	2240	3876	15460	5096	13512	3431	0	0	25133	16759	13743	16019	11944	8555	3643	2217	4077	2268	3370	4079	7932	7785	10738	21719	17844	6725	5690	1843	2807	8577	9951	2098	7069	32079	Phytochemical	0.5	0.6666667	0.0
16	C12 H8 O6	249.03937	249.03967	0.051014043	249.03938	17829	17995	22957	17022	56176	40148	15367	9469	43976	5519	6774	17372	72597	49450	20600	19791	16783	81059	75253	4040	0	12273	29444	16427	14362	0	17314	4154	10539	10624	15211	11077	20590	9963	9649	10128	19172	16710	13363	4466	2793	21786	2771	1753	4152	7137	3933	4088	15765	6028	17844	17827	44476	2427	35731	31973	28107	20742	2942	3823	12923	1584	76385	35514	22791	69112	29235	14445	2960	2783	4606	12936	10487	5608	9117	9866	2138	14820	45453	10567	30717	6351	1869	3006	61791	38414	45772	36246	36351	0	5119	5755	0	9439	3841	3293	17279	18796	27705	38949	47866	20231	16006	1728	3302	22482	31069	2482	18803	76969	Phytochemical	0.5	0.6666667	0.0
8	C12 H8 O6	249.03937	249.03975	0.07842818	249.03938	10123	12414	8935	8541	32822	13691	3074	3297	34315	2780	4565	7072	51410	15563	4744	7755	7601	32542	39939	5816	6544	8018	10220	5032	2846	899	4755	0	2504	2906	3382	2623	9409	2462	6778	2706	6369	6796	5526	1338	3218	14827	1223	1029	1697	4191	1876	1723	3956	2889	10627	10295	20106	1251	29029	31396	14042	7174	2084	2304	4763	1447	54017	31319	14013	41295	13993	4957	0	1135	1901	2621	3380	1878	3941	2356	1220	4842	11236	0	7888	3093	2139	1103	32940	13113	7425	14775	20827	4362	0	0	4194	4292	3769	1936	9293	12028	26481	49098	36623	7843	6593	2484	0	6101	24196	858	2874	51445	Phytochemical	0.5	0.6666667	0.0
10	C12 H8 O6	249.03937	249.03972	0.09693298	249.03938	19867	20635	14386	15948	52364	28438	6046	5845	51780	5505	8646	11710	74887	31379	10403	12586	8521	65687	63507	4638	6770	16878	17634	8329	6715	0	9782	2751	6669	6950	5537	8003	18764	6883	11363	6628	14572	11339	10123	2969	5863	19954	2674	1149	2627	3897	3660	2490	7523	3576	15642	18216	33693	1855	55163	41939	21007	14284	3499	4572	13752	1613	77424	54861	20032	71828	24517	11380	0	0	2482	4261	6364	4120	9770	7402	1345	9030	18816	5936	15714	5257	1425	1326	60297	24162	18204	27563	27362	6584	3751	3752	6607	9852	6122	3166	20320	17535	36408	57884	57562	16828	10157	3503	0	9440	36841	1246	7093	89383	Phytochemical	0.5	0.6666667	0.0
16	C11 H8 O5 N2	249.0506	249.05089	0.13952647	249.05063	3108	4324	2147	0	5655	4909	3462	0	3689	0	0	2618	3838	4347	1699	2954	6950	10653	9172	0	0	4826	3390	4253	0	0	2778	0	1729	0	1201	0	5536	1370	0	1801	6312	1673	7613	0	0	4567	328	0	470	0	0	396	3263	1833	2955	3286	5671	0	7047	1983	1526	4824	0	1706	0	0	5481	8214	3922	7993	3520	6596	0	0	0	4088	1570	0	1877	1964	0	2366	6065	0	4202	0	0	0	4244	3252	5996	9042	5874	27989	0	2781	0	0	0	0	3337	2682	4634	3945	1515	2654	3008	0	0	0	2676	0	3664	10432	Unclassified	0.45454547	0.72727275	0.18181819
14	C11 H8 O5 N2	249.0506	249.0509	0.094213895	249.05063	6886	7972	9181	9017	10471	8293	6379	4178	11812	0	0	7350	12223	5942	4772	14141	15485	12047	16450	0	1612	13107	5894	12949	3655	0	8554	0	6450	1520	7573	0	14591	6680	0	4154	14204	4796	14190	1345	0	8666	0	0	317	0	0	439	11808	5762	7272	9508	15744	0	6011	4116	5824	13649	0	0	0	0	13022	6280	4746	11648	14660	16185	0	0	0	7129	4161	1943	10438	5431	0	6367	15604	0	9013	1308	1811	0	6752	7319	14466	15153	13774	39264	0	4884	25577	0	0	456	8169	7328	3944	7557	5380	9267	5614	0	0	14041	3461	0	8235	19964	Unclassified	0.45454547	0.72727275	0.18181819
10	C11 H8 O5 N2	249.0506	249.05096	0.08226923	249.05061	21945	15996	19495	23562	16506	14695	15669	26772	17580	5662	3714	23824	20196	6986	12906	35272	37096	28611	29702	2718	2359	27186	20174	37403	11497	0	19606	0	17401	19393	22216	26562	37915	20799	10058	17943	37854	18695	39356	0	1836	20449	0	0	0	7201	1940	0	29635	23220	18892	19882	22274	0	17196	5954	12138	40684	2814	2448	33086	0	27232	18980	9393	30592	23746	40858	0	0	2298	28239	20377	13033	20862	20684	0	15184	19864	0	22790	3583	1657	0	11694	9479	21804	34208	26420	70338	5111	4538	64734	2889	2644	429	20506	17266	7292	10094	9763	29864	18633	2326	0	41790	6771	0	17215	35456	Unclassified	0.45454547	0.72727275	0.18181819
8	C11 H8 O5 N2	249.0506	249.05096	0.05919292	249.05061	21724	23155	13509	22489	11131	22732	28461	11574	14186	5850	2963	17761	12154	8432	10277	29434	93937	19261	27442	3729	2996	7605	8130	24417	7241	0	26720	0	18069	8358	27769	22380	125017	21135	9459	7775	129508	12453	129216	1374	2139	31099	0	0	0	4548	0	0	46980	8701	17860	19873	38155	230	10676	5091	10672	34613	0	1336	27720	0	22711	16487	6721	22966	43328	134482	0	2501	4180	9784	3523	2027	18094	7362	0	11833	7539	0	8427	1011	833	0	5831	9250	9609	86034	46619	17359	0	0	20530	2096	0	380	22638	15450	5875	7845	4966	100876	17900	0	0	48553	4165	0	9621	25110	Unclassified	0.45454547	0.72727275	0.18181819
12	C11 H8 O5 N2	249.0506	249.05095	0.1553445	249.05064	3449	7510	4824	4457	10136	7578	4033	8611	9373	0	0	3633	14941	5438	5394	4960	12366	17151	19233	1195	1642	7773	7025	6648	5636	0	1411	0	6436	3061	3399	4436	11928	2166	2252	2036	6610	5896	10195	0	0	9935	0	0	0	2637	0	0	4339	2415	3912	3657	11333	0	13040	4701	5288	8462	0	0	0	0	18454	13648	5554	14369	9250	10187	0	0	1645	3107	1937	1147	3694	3437	0	4406	7715	0	5933	958	1104	0	7460	7310	9030	14481	9899	23518	3620	4154	20257	0	0	0	7767	5440	4701	7209	4352	6177	4279	2602	0	10324	5542	0	3502	28957	Unclassified	0.45454547	0.72727275	0.18181819
20	C13 H12 O5	249.07574	249.07603	0.037227	249.07576	74116	81116	75383	61190	107713	95853	55629	63270	98540	62994	40335	44974	148299	97986	65742	72974	54505	140569	131843	64532	68948	73922	75197	75490	61049	42842	54926	41699	66404	52002	49179	53863	98481	55282	85880	52531	94579	55827	50756	60031	52386	70002	26460	22865	26640	60135	46097	31448	66279	44704	76319	75035	105510	19388	121292	84677	68161	91432	43624	37597	69264	37408	144542	107436	50292	142992	75973	58930	45769	53113	53806	56826	57766	50828	40126	71969	21255	52500	86555	50390	73154	47932	43592	41153	101474	71256	80389	73327	87455	56645	83242	65624	90567	40093	44304	29385	76986	80016	87420	115332	115631	81760	60947	55991	37974	61177	64910	24675	65345	160218	Phytochemical	0.3846154	0.9230769	0.0
10	C13 H12 O5	249.07574	249.0761	0.028955335	249.07576	301931	298427	244055	268190	431391	284241	170375	191365	506797	348686	261903	164390	596478	223093	180635	244185	433824	649048	623546	334196	383204	305729	224603	193812	125911	153420	170498	170544	207603	178172	171256	209709	333789	177720	445419	185128	312690	190505	484826	280182	321325	263445	29894	21348	32008	192415	195536	27057	205605	142485	287707	299941	353723	23957	618965	398664	203310	283431	180052	197250	259265	176264	513897	481473	180741	515565	255665	498194	245753	226629	287040	153443	164661	148296	198565	198555	24486	145359	268563	180505	230613	172248	151598	142197	437388	270540	293856	272219	311142	456920	185701	229301	222518	261373	290837	32553	277942	275423	384029	459232	454732	294838	176797	215569	117654	167193	372849	22772	140127	601339	Phytochemical	0.3846154	0.9230769	0.0
18	C13 H12 O5	249.07574	249.07603	0.0320256	249.07576	164515	169817	141551	138453	229011	181351	123576	133759	202388	121320	92252	92209	325532	192897	137003	147751	108833	350045	338050	128448	115829	150217	163661	136446	120670	58062	109285	92681	146935	121753	120292	142941	204382	136160	143834	128599	206727	121796	123126	114539	86139	146845	41258	20090	32622	93960	80082	28941	131753	104455	144724	140261	190602	21915	268504	173324	144715	175296	89272	63888	147936	68550	290185	197899	113143	296932	183661	119781	62921	91875	87916	114894	100252	109406	101569	139340	22966	99463	172410	115041	149839	90002	79677	61780	209903	159156	185163	171697	195862	134867	138035	128942	174265	87195	118956	35601	158902	153554	164548	195090	210032	170290	103150	97543	60102	126586	142821	26114	123787	292979	Phytochemical	0.3846154	0.9230769	0.0
16	C13 H12 O5	249.07574	249.07607	0.032062348	249.07576	268160	295366	270231	268979	466918	375076	206146	207809	455117	240747	174844	165325	651195	348642	256056	257167	232403	770770	668483	235387	201595	255505	279486	222723	218945	90711	190287	165286	228447	207820	221249	240936	357262	206159	308847	221065	384627	196399	237362	181145	156042	290921	36458	30255	43332	156534	127547	42456	258533	169803	281275	278896	416885	31484	503902	321854	261531	315686	156712	118826	254835	113319	575595	402658	210698	619094	359898	203381	98193	148627	119197	188901	201196	178046	195581	231512	31007	172208	323063	209841	234416	150717	121060	114088	416659	294510	358438	317519	370180	318421	228697	253586	258988	175672	214032	43753	271301	274246	331966	358550	389418	317210	186257	150658	90668	226993	310777	31465	209695	654996	Phytochemical	0.3846154	0.9230769	0.0
8	C13 H12 O5	249.07574	249.07613	0.040975455	249.07576	179503	220087	121675	187892	253449	152830	99376	107905	323465	201364	184236	104391	351389	144828	105596	134345	149554	340598	375984	212831	224914	200453	136694	116425	63258	99466	96266	106806	109037	103363	99781	129867	173350	106647	304936	105836	166342	106327	164829	158642	234826	159333	20649	15388	28846	137153	147342	23393	128367	94820	175287	180161	215534	18774	365109	268317	160908	139658	97000	131776	138779	124540	363572	319631	131014	276841	157206	151462	162913	147640	226590	101095	110374	89681	102106	133086	19501	87591	171500	107413	134049	110929	104659	104178	264940	142363	157866	161663	204683	307374	89844	126663	138833	173697	171905	27405	175376	169101	264449	341331	302448	167083	114746	152080	97483	113255	258077	16552	87548	380848	Phytochemical	0.3846154	0.9230769	0.0
14	C13 H12 O5	249.07574	249.07608	0.034975573	249.07576	363039	392254	333529	376753	626262	460090	272126	270749	640399	297872	236445	227645	868293	394685	284493	335776	287730	988694	854931	346288	348030	358945	326087	269441	251351	118025	259845	210488	293359	257140	231095	314645	469425	252351	479097	275915	416664	268670	328277	288792	239400	381592	34282	23788	29136	215506	201499	32504	285235	216012	352028	329950	519508	25558	793813	451763	339692	422370	219711	179970	327035	185526	750321	625002	293085	761567	444712	281007	142780	210286	182800	223550	232415	234447	251726	277105	21847	237981	371892	265940	314336	182403	174081	158636	545712	363348	450834	392731	491224	399765	326481	294396	348974	233203	282080	42897	356208	362271	429032	512119	537024	387808	261115	257932	143150	270954	418760	26884	254822	763143	Phytochemical	0.3846154	0.9230769	0.0
6	C13 H12 O5	249.07574	249.07616	0.048120394	249.07576	84494	94771	65035	82874	115699	65163	48672	57099	153587	97904	85610	49297	142317	77168	49044	65095	71198	160321	164043	81978	109145	85613	71727	63192	34733	50978	45538	47591	61051	51572	49273	61345	89521	43555	113569	58330	72738	55864	83175	61715	99349	85647	18784	13737	24970	67052	75166	19638	61764	48482	83339	79747	100151	18280	160847	147236	84436	73819	51252	68619	73354	50176	167368	127590	60018	123881	76058	83777	94243	74551	129588	43494	56093	53433	43716	63790	17908	42636	68505	34200	68424	55041	49023	34048	127248	87217	74848	79301	100227	76735	45207	55124	67798	71796	70944	24695	77171	81795	115500	165421	169810	90421	65523	71250	54039	55307	118910	15236	44472	166631	Phytochemical	0.3846154	0.9230769	0.0
10	C10 H16 O5 S1	249.07912	249.07944	-0.050005667	249.0791	6732	3824	2742	4103	9972	10815	3833	2964	15133	0	0	1954	9878	11215	13667	7246	5744	13994	20166	0	0	1810	7524	1679	20304	0	4970	0	6462	3630	3137	5027	7681	2432	0	6545	7521	8446	5438	0	0	8222	0	0	0	0	0	0	5696	2783	3853	4622	9874	0	12259	3933	3325	16212	0	0	9562	0	4296	6802	6803	8197	10171	5372	0	0	0	0	1283	3449	3655	1798	0	2355	2546	0	3333	0	0	0	8277	10333	11288	3351	9094	1991	0	1819	8537	0	0	0	2376	3847	7570	4046	5147	9340	3719	0	0	7510	10393	0	7230	11469	Organosulfur	0.5	1.6	0.0
8	C10 H16 O5 S1	249.07912	249.07945	-0.007647453	249.07912	3206	2752	2458	5215	4181	4386	8345	2845	12031	1382	1606	2418	4705	3691	6143	7990	12296	7095	8898	0	901	1063	2278	2476	6326	0	10545	0	3578	2582	2841	3291	4336	1009	1101	3071	4076	6839	12833	0	0	5224	0	0	0	0	0	0	3684	1431	3394	4076	7376	0	5351	4051	5138	7649	0	0	0	0	2424	4214	6565	5662	6338	11689	0	0	0	0	998	2746	7205	2782	0	1036	10548	0	5382	1292	710	0	10335	8468	23824	4913	5957	13235	0	0	3481	0	0	0	3157	5553	6733	8100	8005	6814	1708	0	0	2793	9677	0	10634	3456	Organosulfur	0.5	1.6	0.0
4	C10 H13 O4 N2 Na1	249.08458	249.0853	0.4230646	249.08469	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	785	0	0	0	0	0	0	0	0	0	0	0	0	0	0	447	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	463	0	0	696	0	0	355	436	0	390	326	1087	0	0	0	0	0	0	31321	0	0	0	0	0	0	0	0	0	0	428	0	549	0	0	0	0	0	0	0	0	0	0	0	286	358	0	0	0	0	386	0	0	0	0	Peptide	0.4	1.3	0.2
4	C12 H12 O4 N2	249.08699	249.08742	0.04271106	249.08699	66609	76922	65116	64432	95392	59351	34145	56764	95528	46147	42819	48408	102821	44541	67071	78154	108297	126893	133243	45011	62190	98738	84351	80408	48577	12246	36045	27843	39533	35323	47357	43216	91462	38074	66196	41520	82543	53500	137381	48560	95089	85093	2419	1241	1653	47017	58711	1709	53211	46008	67653	56352	93558	1623	110174	72029	56250	70241	26457	53724	75927	36432	120253	92724	44827	96353	68906	107136	28393	29044	41546	37884	27722	30345	41632	37333	798	40995	76883	28415	64241	30652	22493	17053	99547	80421	74773	105197	89826	144979	29637	37707	166263	38811	41428	3703	58495	77056	72146	97703	98024	91996	44969	45652	28817	95905	74535	1324	51848	126533	Peptide	0.33333334	1.0	0.16666667
12	C12 H12 O4 N2	249.08699	249.08734	0.053236336	249.08699	76817	83128	79736	73843	59158	50246	102588	69846	51537	46514	39566	55374	42882	32771	56873	102623	180268	91798	105090	39524	50889	94431	70840	94698	63330	15842	65137	36678	107315	56505	64646	99257	108949	99899	55899	73047	112724	68271	251644	41795	78923	61468	2411	1744	1740	42381	49638	2442	140447	54091	79868	69655	61723	6295	58219	25106	42663	135075	29807	52720	72020	30783	61875	54951	36521	73264	56242	201147	21151	36711	49378	47211	67465	34743	100249	73765	1064	47938	117702	42863	82762	38912	40130	26013	38437	40950	129536	85989	79037	328083	57539	63714	189624	54151	55193	2261	82507	83193	35948	33768	30017	89346	50084	41430	20565	111161	39158	1661	85064	92395	Peptide	0.33333334	1.0	0.16666667
2	C12 H12 O4 N2	249.08699	249.08745	0.0867114	249.087	28133	29891	24584	28627	58158	34860	26796	24547	51211	18673	32647	32044	58138	24542	26584	19146	67374	65819	57808	17583	35459	38547	33883	23125	11872	4638	9986	16751	33183	15917	29486	22458	51068	28822	32241	21507	32574	27694	64910	18869	28731	37548	1369	943	1207	14926	21173	1310	24564	14278	25660	29968	50671	1040	52376	30384	30998	35855	10701	20014	17335	10588	75802	58027	33371	60533	43361	85444	9532	13152	15939	22084	22902	16066	23593	23310	908	19917	37074	11556	27079	11124	10552	8191	44446	30171	42564	71413	48652	104508	13909	20906	69079	17423	10714	2115	28222	31613	33890	45379	40717	25660	29386	15567	11433	44375	34808	1023	31941	71748	Peptide	0.33333334	1.0	0.16666667
8	C12 H12 O4 N2	249.08699	249.08736	0.011718485	249.08699	111468	127395	94895	118007	107439	95906	77711	87420	99426	109010	84771	73970	112124	50994	75905	152092	135913	135158	173307	89959	113218	168278	92313	138393	69186	32181	89642	63011	72310	69573	79723	92672	159085	81803	124814	66446	156066	81396	176850	122307	204474	98785	2399	1422	1404	92766	100679	1321	120265	77549	109427	112527	105954	1662	129571	65439	66282	114886	61062	105779	122970	84299	129461	112503	54168	134438	94114	170451	69483	74324	130128	87660	66121	40018	81913	72965	973	60965	125186	77099	96100	64494	63481	53249	79670	56994	131626	125436	111398	303965	103731	132353	250994	94185	103223	2038	113669	110868	72420	90188	82617	140003	73534	81532	34606	152606	70626	1038	93927	150151	Peptide	0.33333334	1.0	0.16666667
16	C12 H12 O4 N2	249.08699	249.08731	0.09142028	249.087	30598	37280	27215	27074	45637	33011	39018	42855	17508	9976	14218	30733	19648	30929	31120	68829	68258	29686	33587	6744	6179	39190	33755	56548	37592	3541	40023	12812	38954	34669	42722	41025	67308	43148	9980	33412	54303	25605	83166	7589	17840	36552	1778	1488	2194	12665	8489	2791	55952	35428	34844	37516	43010	8294	14363	8219	22462	67192	8148	16338	60894	4657	21909	15878	14744	45379	43354	72321	2888	5381	8333	38480	29482	18046	49514	33039	1606	27372	43787	20055	27142	8296	10756	6509	19270	23057	54101	52258	38461	134811	22529	21847	63447	10330	9735	2068	31610	30271	14558	13173	15218	63751	27873	11053	4390	72194	17400	1697	48805	27789	Peptide	0.33333334	1.0	0.16666667
14	C12 H12 O4 N2	249.08699	249.08731	0.0451827	249.08699	53356	59399	53066	56524	45461	40650	55811	58798	28088	21795	25486	50066	28237	24234	50879	91506	95243	51570	48152	15367	22413	72215	44671	91151	44539	7302	51455	18989	48001	45763	46306	63208	84480	64241	31548	37393	78884	48974	106599	28569	49038	45842	0	1429	1535	31171	22684	2254	70909	39598	51578	44482	43072	5221	25883	14156	33168	94514	18651	35715	75902	20637	36039	30065	24822	50827	43655	117865	0	15436	20354	55201	44788	33019	53576	43662	1285	39909	80085	41044	62010	18282	25381	15139	26982	23991	88899	71692	59804	241738	54692	41957	164319	30649	33999	2540	49440	46932	21457	27217	35957	66224	39391	31096	0	101994	19498	1419	77123	35400	Peptide	0.33333334	1.0	0.16666667
10	C12 H12 O4 N2	249.08699	249.08733	0.025722707	249.08699	101496	100234	90707	92405	73328	66708	77234	94834	70841	80766	60579	70383	81049	39258	70562	138294	130147	125871	128807	71824	81820	158622	87728	135996	77069	29308	78042	49634	85229	65489	71036	88667	146413	81798	83435	67976	147656	76358	162405	77938	140305	75389	3344	1929	1781	64716	66818	2084	100713	74230	102089	99441	87109	4176	94334	48590	45059	151114	55241	86417	129182	54879	83533	81119	43017	92612	74756	167452	53394	56744	74922	78536	59480	48522	77168	72285	1313	60397	128583	64206	97332	57402	53982	39780	71209	54791	136342	95958	91472	281951	74246	103885	230554	74293	105391	2371	95427	93083	50416	55349	50027	115552	63767	79855	29326	142460	50301	1359	92828	113384	Peptide	0.33333334	1.0	0.16666667
18	C12 H12 O4 N2	249.08699	249.08728	0.07104053	249.087	9389	7753	5894	0	7086	5044	6463	7318	2214	0	3077	6171	4296	5030	5853	11013	12880	8108	7266	0	0	6656	8833	10435	4877	0	8673	4658	10380	5331	6162	7176	10499	10177	0	4412	15043	4995	15400	3557	4819	6285	1121	1329	1453	3507	0	1833	7639	4699	5710	5337	8618	3291	4074	1768	4724	10541	2353	3976	7823	1294	3256	4725	4512	5547	8247	16068	0	0	2606	6491	6028	3428	5811	0	1213	6039	8377	6752	10298	2534	3831	2353	2568	2497	14422	10531	9096	36527	7594	3136	17759	2596	4240	2021	5760	5435	2774	4709	2719	11666	7564	4251	0	8545	2836	1353	13100	5301	Peptide	0.33333334	1.0	0.16666667
0	C9 H16 O4 N2 S1	249.09035	249.09065	-0.08907918	249.09033	0	0	0	0	1039	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	771	914	0	0	0	1782	0	0	0	0	0	0	0	0	1761	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1639	0	0	0	0	0	0	0	0	0	0	0	0	0	1393	0	0	0	0	0	0	0	0	0	0	34853	2946	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1094	Peptide	0.44444445	1.7777778	0.22222222
22	C14 H16 O2 S1	249.09438	249.09468	0.074506916	249.09439	4650	4165	4492	3211	1702	2287	1486	2122	2168	22171	18016	1272	0	0	1219	0	1944	2791	0	19517	26216	14187	0	2112	1546	3648	1778	18235	0	0	0	0	1836	0	10377	0	0	0	0	11665	12109	0	0	0	357	5598	15052	0	1796	0	5772	2201	2319	0	0	1314	0	1847	5048	8533	1499	8088	0	0	0	2113	2989	3301	4128	2959	4666	0	0	0	0	1490	0	0	0	23929	0	8529	5852	9145	1935	1491	0	1453	1502	2989	20521	23414	2180	21400	27737	0	2633	2441	2244	0	0	1592	0	7398	7664	1760	1934	0	1794	2068	Organosulfur	0.14285715	1.1428572	0.0
6	C10 H16 O7	249.09688	249.09726	0.01063391	249.09688	1534	2424	2491	3009	2950	3119	2709	1596	3477	1763	14058	1835	7363	2574	2430	1452	0	5692	2902	0	802	976	1283	1933	901	0	2264	15066	2546	1730	1961	1613	2433	3331	1050	2859	2637	1451	0	0	0	1518	1587	945	1261	0	2782	865	1680	1716	2818	2136	2985	1369	2033	2913	2285	0	2410	2800	2120	0	4480	1987	2983	3667	3133	0	3483	0	3741	4823	2531	2502	0	1295	845	2577	1935	21663	1790	1119	1160	0	3244	2537	1809	2856	2959	0	0	4059	1507	12203	0	1036	2189	2253	1814	3116	3561	3051	1768	0	0	2208	1896	1226	1002	3209	Unclassified	0.7	1.6	0.0
0	C9 H16 O6 N2	249.10811	249.10858	0.015711408	249.10812	4708	4285	6208	4899	16217	119553	0	17237	4820	1461	0	2036	26480	35259	2302	0	1290	26922	18573	0	5534	10222	6895	8255	7568	0	0	1264	51608	2586	33486	10411	75750	19529	13253	8208	14717	2320	2380	1360	0	9912	0	0	0	3377	0	0	10895	2436	4677	4304	20713	1397	5579	1492	0	21848	676	0	4558	0	41580	5042	2456	19912	52993	1934	0	3642	0	14731	17679	8753	0	8865	0	5155	1911	2499	2007	0	0	0	1914	1498	3859	10355	19821	2562	64577	16891	10018	0	0	0	4521	3089	1125	1068	1332	6890	4797	0	0	20348	1763	0	1466	56493	Peptide	0.6666667	1.7777778	0.22222222
10	C9 H16 O6 N2	249.10811	249.1085	0.19733526	249.10815	802905	746408	676062	668610	773096	514112	608536	701474	766121	735300	493607	496648	823321	460026	541249	883672	727479	933779	1017139	1039575	1021897	746134	571705	693385	479460	1017397	602523	484710	705140	650866	559066	701326	918884	573923	864383	641382	821559	522992	859939	721350	755261	573573	89818	62946	79070	588884	533070	79428	706710	556396	723080	785493	659493	60239	1020478	676389	432620	938740	533109	598520	850214	433032	750080	745536	392001	786683	540909	847149	883344	1078226	1204241	513120	550375	583229	731359	697644	60148	433155	791946	434497	670763	507447	653380	578958	870959	574888	803543	535098	611362	840837	667299	675623	767843	512022	715051	82995	694591	768754	663661	892632	961063	791837	504720	733034	367493	600325	724373	65241	503838	843603	Peptide	0.6666667	1.7777778	0.22222222
6	C9 H16 O6 N2	249.10811	249.10855	0.30834466	249.10818	694365	744164	535380	672800	580324	214213	607216	730504	772762	563584	272146	503112	319838	494504	579544	670140	340130	734934	757545	673204	720612	776484	658562	766160	435360	711156	526204	206585	709912	662624	635392	646984	763376	487124	705956	344156	688256	601456	800464	239284	643752	583884	120910	105390	143232	368698	355388	132522	697452	593720	672764	700248	600744	105492	447900	392118	593014	798556	278416	324842	765700	196378	347584	294940	371028	641360	252043	425314	389494	380934	531566	492468	537251	636972	234970	715688	105802	223384	689861	182696	717434	669771	709767	207880	360896	268756	774772	238031	321831	458388	234975	284494	753730	473252	303052	132894	639656	320608	300666	446748	987999	793669	684312	341378	264516	563780	313953	106492	523076	677923	Peptide	0.6666667	1.7777778	0.22222222
8	C12 H17 O4 Na1	249.10973	249.11006	0.47713172	249.10985	761946	863077	529970	818342	737834	472102	595865	717892	809278	604234	484140	546865	775554	448384	636262	835858	857746	765082	1002143	883730	832484	815290	656176	739456	458004	949242	604878	453344	748610	727412	607188	772496	774398	585904	889252	708624	755816	580116	1994068	693780	1495558	605534	123426	108082	148896	650140	693582	147952	807544	642660	716704	784458	660431	102562	1044364	755280	575340	789282	541714	635770	789628	456982	833654	794719	406224	713290	552902	879920	904474	976516	1187750	579866	656228	579024	642864	851496	113884	510960	892114	388312	728316	619899	727510	591704	802044	500148	856888	502731	675162	1914932	536814	678662	833984	512392	623268	149532	758156	793836	734702	1030783	1031228	826184	614401	750930	389024	595282	763238	109866	585565	787265	Lipid	0.33333334	1.4166666	0.0
12	C12 H17 O4 Na1	249.10973	249.10999	0.4614887	249.10985	2204562	2781532	2466962	2547032	2481926	1649682	1965788	2074288	2368762	2691140	2015920	1312944	2146996	1449489	1532306	2752856	2320520	3021034	3451710	3766092	3912920	2742050	1776096	1911658	1474640	2859238	2105016	1782726	2341744	1984940	1961806	2470796	2834034	2051724	3293870	1957560	2429402	1569552	5429524	2480942	2767034	1883594	160135	129204	144702	1696226	1821040	172066	2714308	1713566	2591774	2585786	2129336	112522	3044528	1941832	1559820	2609430	1497422	1792612	2675998	1585892	2946190	2299952	1306820	2855218	1846944	2364192	2667750	3470656	3708342	1733684	1839400	1720046	4564360	2331063	95622	1525446	2077336	1564266	1782408	1621812	1960489	1970799	2323596	1622906	2524372	3406840	2087870	2615582	2349244	2580854	2413254	1691788	2907720	182682	2601280	2634630	2075052	2412474	2544214	2643248	1648232	2195258	1115508	1846040	2241440	131452	1477902	2936238	Lipid	0.33333334	1.4166666	0.0
16	C12 H17 O4 Na1	249.10973	249.10991	0.40430856	249.10983	1268146	1368165	1249628	1259998	1514984	1220022	1066370	1110832	1420285	1505123	983128	790757	1787074	1031235	995135	1332554	1326670	2112027	2114017	1892128	1682733	1240722	1029008	1045516	903204	890308	1025770	878508	1239723	1109744	1189835	1329865	1663894	1120110	1723718	1249364	1666312	884839	1375423	1301540	1089182	1124070	106104	64470	79272	840367	856815	85997	1548752	1015999	1337110	1333083	1411551	65020	1641336	1264561	938100	1530321	829626	832346	1186955	790998	1541443	1337744	717941	1707400	1267291	1247886	741731	1233464	1064392	1022494	1105442	1079030	1224676	1276654	65574	773833	1212331	997163	864563	793483	1015216	1022552	1390562	947686	1339589	1189466	1355177	1393973	1330809	1352184	1305394	920780	1324167	97598	1269432	1356738	1173097	1426849	1603252	1627042	757356	1147105	502914	1096094	1237901	64881	977353	1799767	Lipid	0.33333334	1.4166666	0.0
14	C14 H16 O4	249.11214	249.11246	0.002172113	249.11214	1363824	1444516	1280166	1455752	1523854	1188023	1169695	1150571	1488597	1509420	1132526	849780	1878837	1016814	984769	1355106	1395060	2070206	1876379	1977348	2131943	1413159	1022125	998995	907533	1448485	1135897	1152732	1229376	1122763	975863	1405160	1753420	1130411	1873163	1197285	1486381	915684	1563905	1514700	1417104	1136204	105172	63430	62468	962306	983128	82030	1399576	898083	1333333	1200942	1411470	58628	1861257	1328916	969672	1551175	947094	995691	1253868	868514	1690279	1537357	832561	1766234	1224720	1346500	1130910	1654210	1673035	962535	1064381	1047541	1172464	1215680	52667	833740	1225419	968779	1036191	832719	1155105	1201845	1532516	945540	1424215	1131465	1351638	1485713	1497006	1322408	1390517	989254	1396844	103447	1389376	1359257	1225698	1733584	1784264	1469341	882541	1358729	652312	1091978	1261752	69529	931808	1570694	Phytochemical	0.2857143	1.1428572	0.0
20	C15 H12 N4	249.11348	249.11389	0.16205789	249.11351	557564	624396	568451	471977	896034	707367	454639	569901	693075	514649	307535	398175	940575	713367	555870	607467	474876	1030292	1041301	605414	486637	497727	513223	575749	496552	250653	456096	351191	688731	576356	513766	642251	858008	663187	573602	600113	975448	460138	487304	420459	298761	597735	167888	161623	92996	385950	293066	183083	643780	446768	576814	597142	736230	81750	787520	611693	487311	745865	440226	311099	627188	249514	763817	660866	417654	857630	682323	520453	220270	357020	337953	535247	603356	580662	464044	660378	85843	444405	521936	321804	432469	280306	449194	292271	596697	469668	583527	636906	660656	508212	609648	586302	662913	309325	333865	174455	565056	584829	657667	673768	742794	842304	461256	545154	269181	520639	547999	166418	468374	942211	Unclassified	0.0	0.8	0.26666668
16	C11 H20 O4 S1	249.11551	249.11581	-0.33456513	249.11542	0	1794	0	1482	1792	1375	0	0	0	0	0	986	3876	0	0	0	2002	0	0	0	0	0	2019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2641	0	0	0	0	0	0	1142	0	0	0	0	0	0	1390	0	0	0	844	0	0	0	0	0	0	0	2150	12683	14403	2927	0	0	0	0	0	0	2105	0	0	0	2396	0	2453	0	0	0	0	2544	1649	0	0	25183	0	0	0	0	0	0	0	1914	0	0	0	0	0	0	0	0	1061	0	0	0	Organosulfur	0.36363637	1.8181819	0.0
2	C13 H16 O3 N2	249.12337	249.12381	0.030991742	249.12338	639006	638124	559686	607772	301912	358705	834035	1210392	231736	349460	279635	714357	219340	151524	683251	1392406	1893126	379172	465351	402072	445082	417953	480939	857142	590923	115192	751165	270154	1475889	993173	944889	1195406	1237543	1218203	431107	1397225	1097907	569508	1786892	245795	270219	639418	4331	1569	1468	259610	188909	1748	1381338	1020963	551353	596565	421745	2473	279226	101071	248437	1053717	71181	151082	1001218	120415	201053	256700	263724	322511	565527	1875213	147280	279866	292905	891982	961895	734365	1382200	1059319	1149	681259	523349	271630	415497	96049	105049	152724	155887	318509	520032	618375	657971	1112524	252325	224629	1069858	180685	227511	7207	645556	756206	178115	118696	142284	1113488	666628	278412	101936	1126983	201702	2321	653979	280627	Peptide	0.23076923	1.2307693	0.15384616
16	C13 H16 O3 N2	249.12337	249.12367	-0.023394069	249.12337	34283	30850	29691	31867	22590	21042	29119	39474	10668	11083	13215	29269	14272	16180	27916	48882	63598	33317	39709	17064	16350	45252	31101	56639	28000	6943	29547	12860	35681	31663	36292	47278	51186	34732	16570	31256	53047	26978	71565	21200	30334	28989	1756	2447	2040	15618	18058	2005	51352	30174	29473	35832	31199	1738	12271	5143	15853	53699	9695	23821	41862	13306	15350	18790	9476	23566	29239	61753	9538	11911	20894	35860	28537	19023	31039	32834	1394	22438	34250	21701	26051	16697	22773	15298	7412	14230	43446	35299	34233	90680	68922	45056	75899	17958	26520	2136	29301	25057	9863	7884	8785	49999	21579	22130	4628	62322	8217	1826	39488	27520	Peptide	0.23076923	1.2307693	0.15384616
14	C13 H16 O3 N2	249.12337	249.12367	-0.06341036	249.12335	119007	150860	116737	137231	58609	65750	176718	113020	22029	48811	37102	73610	30634	25352	57095	176497	207365	83399	78185	52498	48846	128620	61685	190087	87974	19412	167425	51951	99495	83785	169627	189448	213219	197877	62325	96585	304918	54203	243073	56710	63013	89108	0	2167	1445	53250	44248	2388	229061	93780	138006	109199	92247	1898	29362	11331	55305	240126	36024	66793	128536	33196	31011	32362	36158	85344	105266	245619	20369	30187	45390	161894	137605	68726	121300	102758	1170	65043	108192	46857	86663	32739	67778	38582	24375	54158	120604	256965	176846	317001	157935	113174	246094	42398	61827	2858	128784	91791	23388	19366	19489	159794	76620	92675	0	189651	40026	2120	134355	47403	Peptide	0.23076923	1.2307693	0.15384616
4	C13 H16 O3 N2	249.12337	249.1238	0.01905233	249.12337	1170236	1228487	1168195	1162545	384301	738210	1237850	1095921	342097	357838	272304	990166	255436	482432	852509	1601871	3121946	802279	846588	376458	406544	765849	927539	1106758	1082720	129808	1577239	266184	1377252	908843	1205122	1622205	2166263	1500674	506192	1277087	2038800	987434	3340980	257789	359947	1179665	6972	2621	1740	448201	275989	2955	1999420	1005471	1192425	881950	861953	2843	350600	125508	477956	1656924	75053	174075	1431099	157487	248445	352206	394712	685727	777962	3823096	182504	346928	486657	845942	1022100	587536	2658437	1206915	1267	855158	1053920	321676	978396	160254	151893	194509	232602	483083	1510887	1400240	1197809	1894814	560403	298011	1289678	226649	321572	9938	1157389	1183003	308470	171530	203849	2425900	942772	335130	152358	1285100	250644	2328	1186386	346896	Peptide	0.23076923	1.2307693	0.15384616
18	C13 H16 O3 N2	249.12337	249.12366	0.031697065	249.12338	10004	11363	14679	13498	8476	9787	11911	12244	3734	4677	6525	8316	3098	5369	11247	22406	19050	7108	8472	7128	5019	15957	8008	20940	7755	3461	12862	6493	13002	15513	11432	22904	22882	14877	5443	12083	21768	8635	24823	6823	14399	12616	1538	1450	1484	8511	6415	1878	20995	10450	10922	9664	8847	1149	1648	1271	5640	24858	3479	9674	21349	7907	2809	1945	3847	6853	6338	27534	2811	4309	3965	14181	12722	8135	13275	12516	1522	7908	9234	12299	7637	7815	8656	7865	1720	4945	13940	16904	13834	34799	28200	16209	30324	6162	12062	1708	9337	5488	3978	1617	3986	20675	11256	13374	2230	22465	3775	1455	14534	4509	Peptide	0.23076923	1.2307693	0.15384616
4	C16 H17 O1 Na1	249.12498	249.12547	0.045427687	249.125	8424	3246	1781	2940	0	3464	0	0	1016	0	0	4898	0	3058	16260	20352	0	3358	8920	0	0	0	6762	0	2800	0	8173	0	2566	12912	0	3019	15600	5874	0	0	0	0	22238	0	0	0	0	0	0	0	0	0	3326	0	0	0	0	0	0	0	1346	0	0	0	0	0	0	2928	0	0	6471	6557	0	0	0	15114	1985	3336	1768	3754	0	2476	0	0	3272	0	0	0	0	1118	7868	2000	2504	0	0	0	0	0	0	0	5862	0	0	0	672	9690	5568	0	0	10080	428	0	0	0	Phytochemical	0.0625	1.0625	0.0
4	C10 H20 O3 N2 S1	249.12674	249.12701	-0.28876138	249.12666	0	0	0	0	0	0	0	956	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	948	0	891	3859	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	707	0	0	0	0	0	0	8001	0	0	0	0	0	0	0	0	0	0	150014	59033	0	2384	0	0	0	0	0	0	0	0	0	0	0	0	0	0	905	0	Peptide	0.3	2.0	0.2
6	C10 H20 O3 N2 S1	249.12674	249.12704	-0.13680133	249.12671	800	826	569	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	934	0	0	549	0	0	5205	0	0	0	0	0	0	0	0	0	0	0	0	607	0	0	0	0	0	0	0	0	0	597	981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	677	4167	0	0	0	0	0	0	0	0	0	0	65668	19497	0	1120	0	0	1047	759	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	2.0	0.2
2	C10 H20 O3 N2 S1	249.12674	249.127	-0.39967734	249.12665	3604	3716	3779	3852	706	57534	0	0	0	527	0	0	1136	806	297	407	0	1141	0	0	0	921	0	0	0	0	0	52462	1359	0	900	1525	0	1294	0	0	3402	0	0	0	0	0	0	0	0	0	0	0	888	0	3744	4753	0	0	0	0	0	1654	0	0	0	0	825	0	0	832	370	0	0	0	0	2031	1428	0	0	0	0	0	0	90783	0	0	0	0	0	0	0	961	911	0	219310	130445	2235	9092	0	0	3014	2833	0	334	299	0	0	190	0	808	0	0	354	589	Peptide	0.3	2.0	0.2
14	C11 H20 O6	249.13327	249.1336	-0.031885955	249.13326	0	0	0	0	0	0	0	0	0	0	1444	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1885	0	0	0	0	0	0	1857	0	0	0	0	0	0	0	0	0	0	1677	1415	0	0	1724	0	0	0	0	0	3027	0	0	1024	0	0	0	0	0	0	0	1415	0	0	0	0	0	0	0	0	0	0	0	4935	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1753	0	0	0	0	0	0	0	0	82265	0	1123	2042	0	0	Lipid	0.54545456	1.8181819	0.0
10	C11 H20 O6	249.13327	249.13358	-0.11779794	249.13324	0	0	0	0	2831	0	0	0	0	1152	0	0	3640	1818	0	2249	1328	1261	0	0	0	0	1291	2104	0	0	1282	3023	1124	0	1103	0	1213	1318	1439	1622	1862	993	0	0	1240	1035	3461	1151	2273	0	3730	1183	0	976	0	0	1732	6041	0	0	1474	1653	0	1519	0	0	1090	0	7590	3377	0	1608	0	0	1814	1171	0	0	0	0	2284	723	0	6705	0	1111	0	1061	1792	3852	0	2801	0	2546	0	1854	3428	1522	1432	1251	1586	3304	0	0	0	2154	0	0	38344	2573	2040	1344	0	0	Lipid	0.54545456	1.8181819	0.0
8	C11 H20 O6	249.13327	249.13364	-0.10582535	249.13324	2642	1957	2161	907	1048	1453	928	1524	1078	1842	4749	997	3621	2059	1472	1122	1035	1912	1034	1494	1960	0	919	1100	1479	1221	1732	8052	1546	2832	712	0	0	0	1157	1967	1417	979	0	1355	1916	2686	3205	1199	2234	2340	4307	1086	1439	3087	986	1729	917	2636	1570	1948	1658	1633	6158	1093	0	4103	849	0	0	1961	2955	1404	0	1465	0	2162	1550	2545	902	0	2118	846	0	20735	1515	2016	979	980	1684	0	1119	1862	1447	0	0	0	2681	5047	2553	1343	1898	3250	1310	1804	3494	1161	928	2663	104501	1274	2112	1196	1018	0	Lipid	0.54545456	1.8181819	0.0
12	C11 H20 O6	249.13327	249.13356	-0.059165508	249.13326	2498	4238	2707	0	1958	2969	0	1239	2171	1575	3663	2340	1523	4056	2043	0	0	0	0	0	1471	0	0	0	1699	8281	3057	0	1368	0	3030	1990	2136	2106	0	1118	0	4674	0	3525	4018	1172	6427	4697	3536	2779	0	4801	0	1695	3902	3938	3163	6674	9786	5066	4084	0	11077	0	0	6313	3599	2301	21191	2050	4231	0	0	1711	10598	2466	3603	0	0	1007	25446	2035	1727	0	4223	5923	6707	5360	10699	9271	2788	3147	2397	0	0	3484	0	0	0	3767	3830	0	14643	4229	43434	0	2442	0	309132	0	42784	4814	5291	1180	Lipid	0.54545456	1.8181819	0.0
12	C10 H20 O5 N2	249.1445	249.1448	0.105361946	249.14453	2840	1936	3662	1992	0	3856	0	0	0	0	0	0	0	578429	0	0	0	0	0	0	1691	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5684	0	0	0	0	0	0	0	0	3193	3129	0	0	0	18861	3338	0	0	0	0	0	4231	0	204163	0	93892	0	0	1250	0	0	0	0	0	0	0	0	0	0	0	14736	0	0	0	0	0	0	1045	0	0	0	0	0	0	0	3635	3205	6531	0	0	0	0	0	0	0	0	0	0	2908	Peptide	0.5	2.0	0.2
10	C10 H20 O5 N2	249.1445	249.14478	-0.12184071	249.14447	0	0	0	0	0	1286	0	0	0	0	0	0	0	95191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1110	0	0	0	0	0	0	0	0	0	0	0	0	0	2195	966	0	0	0	0	0	0	0	30758	0	10485	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10256	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1390	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	2.0	0.2
6	C12 H21 O2 N2 Na1	249.15735	249.15771	0.09221197	249.15738	3781	7648	4904	6327	2485	1156	0	0	0	0	0	0	0	1040	0	8827	0	1324	0	0	0	0	0	2646	0	74481	740	0	0	4699	1899	4036	0	0	0	0	1586	9703	0	0	0	690	0	0	0	0	0	0	2621	0	6236	6524	12784	0	0	6061	25762	3373	0	0	3066	13172	821	12215	91424	2736	5897	0	98713	126016	171776	0	0	0	13323	0	0	0	0	0	0	475	0	0	0	150119	622	4362	1095	0	0	0	0	0	0	0	7558	3567	8457	46173	69047	0	865	5911	0	0	129176	0	0	0	Peptide	0.16666667	1.75	0.16666667
8	C12 H21 O2 N2 Na1	249.15735	249.15773	0.16613144	249.1574	11098	7800	12284	7659	4793	1553	0	2612	0	0	0	0	3150	5226	0	0	0	826	0	0	0	0	0	0	0	1585	0	0	0	1957	0	9195	0	0	0	0	4367	871	0	0	0	1691	0	0	0	0	0	0	0	0	7707	8127	1864	4218	0	33328	80255	0	0	0	0	0	0	0	410933	2614	10729	0	0	0	0	826	0	1271	30287	0	0	0	0	0	0	1325	734	0	0	537374	0	4737	0	0	0	0	0	0	0	0	9687	5832	28600	68722	279450	0	0	0	0	0	576457	681	0	0	Peptide	0.16666667	1.75	0.16666667
10	C14 H20 O2 N2	249.15976	249.16008	-0.08729063	249.15973	16080	16635	14310	12564	3922	4816	12691	20275	2572	23153	14163	12192	1906	2964	10665	23985	22434	4847	11022	30738	31592	17155	11300	27171	13965	20671	19915	19636	15451	16591	14058	18358	24034	17978	27150	15892	22716	8685	32082	25338	30332	5848	0	0	0	20736	25535	0	20749	17374	19250	19861	7752	0	3568	868	3777	28786	3249	12347	19906	9473	2392	2311	2084	3682	7560	26629	13470	20522	26353	15842	15164	10645	21914	15480	0	10114	15338	28254	17962	8893	7326	19953	1485	3338	19400	12127	9679	37508	57694	23722	39940	16024	25248	0	18919	17994	2312	8177	3527	20816	11314	15383	0	21365	1958	0	15321	2612	Peptide	0.14285715	1.4285715	0.14285715
16	C14 H20 O2 N2	249.15976	249.16005	-0.065995485	249.15974	17627	24057	16270	21581	26164	15400	15768	16183	15538	12196	7069	12204	34881	12370	10610	31653	29458	28390	36106	10455	13576	32287	10576	26708	13199	11223	12658	8578	5859	10926	9035	19496	16790	15031	8229	15968	20374	12059	29885	17473	35199	10056	0	0	0	21014	25575	0	18159	11858	17439	16785	17024	232	16847	22797	14869	23397	10714	26947	17346	8566	15905	10447	16677	76750	54695	30654	7017	7525	14731	13423	13412	10500	21873	15363	0	7931	23853	15425	12209	18890	14729	12197	22301	16523	30425	18045	13061	72188	23523	22933	38066	13269	18074	0	21910	17692	15833	24759	31380	15367	7921	18121	8790	33254	18113	0	17162	14210	Peptide	0.14285715	1.4285715	0.14285715
14	C14 H20 O2 N2	249.15976	249.16005	-0.10730289	249.15973	30810	25375	21813	29488	5695	6763	27244	22225	2361	26211	17324	17761	1934	3831	12505	55120	50021	8497	9998	24250	26111	31549	10145	42011	24537	15504	29181	15120	19749	18956	21806	26090	38757	25518	21970	19893	39789	12139	54294	36710	59065	10357	0	0	0	66848	114092	0	26730	22473	22960	25181	9207	0	2605	3903	5585	71369	7811	31676	47933	15861	1425	4663	6777	4492	13550	59819	0	16313	28795	21719	22633	18602	28432	21978	0	16210	20179	25538	15071	23371	21510	32488	3187	5200	21222	22371	10868	56767	93551	26467	42586	32078	54805	0	25909	19535	5229	2881	3059	36196	15767	28084	41680	69160	2702	0	29845	3542	Peptide	0.14285715	1.4285715	0.14285715
8	C14 H20 O2 N2	249.15976	249.16011	-0.04691391	249.15974	46508	58224	45579	49678	26103	23237	43359	47588	9476	35421	31074	31721	14049	17957	20468	73814	112138	20770	28336	45083	45562	28037	21896	51503	25763	25571	51048	35892	69050	58685	59186	98286	104260	81227	55281	74027	108440	23364	140030	31075	26896	26568	0	0	0	23009	17809	0	102884	42948	45271	52482	23890	0	7018	10745	9308	67949	1532	6701	69707	13665	11463	9151	11093	22182	30973	166753	14199	29837	39393	58007	70505	59948	114218	76368	0	21713	27119	34219	21658	5655	4569	25408	12319	6582	32423	44557	39366	72680	122607	51158	61843	24331	33728	0	44883	39617	12670	14397	20815	112397	29959	23382	6614	64406	13281	0	32661	13182	Peptide	0.14285715	1.4285715	0.14285715
10	C12 H24 O5	249.16965	249.16989	-0.06326258	249.16963	0	0	0	0	0	0	0	0	0	2699	0	0	0	0	0	0	0	0	0	2349	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1280	0	0	713	0	1503	0	0	1741	1403	1063	2268	0	1139	0	0	0	1022	0	1520	0	0	726	1966	0	0	0	0	0	899	1034	0	0	0	0	1357	0	0	0	0	0	0	1673	0	0	0	0	0	0	0	920	536	0	1244	0	0	0	0	0	0	0	1622	1172	0	0	0	0	0	0	0	20053	0	0	1430	0	1275	Lipid	0.41666666	2.0	0.0
22	C14 H25 O2 Na1	249.1825	249.18275	0.34826875	249.18259	2695	1550	0	0	0	12237	17404	0	0	0	0	0	0	31813	0	0	0	0	0	0	0	0	0	0	0	2661	31729	1440	0	0	0	0	0	0	0	0	0	0	0	0	0	4080	0	0	0	0	0	0	0	0	0	0	0	408	0	6384	20925	0	0	2202	0	0	3566	0	29232	0	12027	0	0	0	0	0	0	0	0	0	330	0	0	0	0	1667	3333	13021	0	0	0	0	5834	1329	0	0	0	0	0	0	0	0	13933	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.14285715	1.7857143	0.0
8	C16 H24 O2	249.1849	249.18526	-0.015257456	249.1849	2742	3423	1370	2318	2576	4002	5749	2374	3235	1704	2223	1709	2408	3141	2724	2232	1252	1451	2540	1627	1802	5786	2973	1480	6196	3855	3919	2131	1522	2334	2071	2187	2156	1645	1440	3021	1233	3021	1696	2769	2892	3089	4156	3579	4736	1924	2204	4148	1316	1876	2594	2264	1604	4339	2659	3109	3986	4142	2694	2500	0	2164	3416	1593	3753	2632	2624	1847	0	3603	3341	2349	1877	2412	1404	3966	4180	2159	2845	0	4713	3458	4239	3344	2458	0	4219	2891	2528	6745	0	7159	30642	2579	1336	3861	2457	4135	2359	4055	2441	2574	3596	3502	0	5742	1990	3681	5063	1870	Lipid	0.125	1.5	0.0
16	C16 H24 O2	249.1849	249.1852	-0.038680915	249.18489	21319	17256	18288	17848	13042	11506	48777	19463	10311	5853	10898	14828	7890	18831	14410	19783	37065	8592	16102	7702	7010	13408	12522	15713	15546	21187	39175	10970	16147	19822	14695	17437	12240	10619	4297	21200	13760	17399	46671	5948	12796	17302	6029	4228	4526	8431	12273	5969	22416	15923	17712	16493	13315	4716	9292	19355	14794	24461	8673	16331	19755	7423	9250	6764	19069	11897	24166	37024	7510	9209	10448	10060	14414	20958	28830	19474	4231	8361	20818	34043	15449	13797	57193	54723	21109	15994	28704	13288	15592	98186	29185	20131	0	15756	10776	4593	22436	17639	14957	24139	25539	21875	10041	9478	6112	25131	20279	4657	26225	7123	Lipid	0.125	1.5	0.0
18	C16 H24 O2	249.1849	249.18518	-0.044879775	249.18489	65710	66873	66148	53292	42616	38615	249982	59296	23281	26219	32877	31118	30891	107250	42537	83355	105889	44406	48275	33874	34414	48022	32182	39939	49240	85496	250418	50169	42995	54441	46119	65262	47404	40298	29593	54486	47202	41134	96885	25147	47575	44865	10065	4486	5269	28477	37141	6857	54811	47329	61534	64984	45339	6163	35010	45342	43922	77504	19538	49324	69411	20068	54966	20112	67804	45590	74304	112994	31789	30455	48794	41997	41930	64023	103102	48249	5995	23153	60550	93064	35841	41523	222028	263214	49183	47371	79914	43495	46172	219306	114473	83430	84585	32484	42377	6341	64266	58279	42750	59200	70688	68066	35001	41071	19868	53070	38592	5488	60153	29723	Lipid	0.125	1.5	0.0
14	C16 H24 O2	249.1849	249.1852	-0.036909983	249.18489	5936	6264	10044	6804	5498	5605	15872	6051	5514	0	2865	5814	4569	6201	4442	7968	17069	2616	7800	3181	2490	12247	5154	6761	10084	4934	13827	0	5823	7455	7761	7961	6592	4463	0	5737	5316	5532	12369	3267	0	5080	4908	4146	3375	1957	5453	4968	5184	5342	8712	6421	5248	3764	0	5859	4372	11923	0	5361	0	2337	5197	3800	7265	5728	6184	10411	0	0	2179	3810	5527	9193	6908	9178	3393	4199	10733	0	7370	4031	10467	14019	8953	6052	13108	3217	6442	53943	9558	6184	15358	4664	4222	4554	9532	9877	5794	9938	10413	5557	5917	5349	0	9817	3694	3562	12240	2748	Lipid	0.125	1.5	0.0
20	C16 H24 O2	249.1849	249.18517	-0.047644272	249.18489	171130	187209	183750	173318	141198	106231	397354	155577	80582	166502	144558	104407	97251	254601	140703	237363	275779	95889	135372	169228	187171	184338	106417	122904	156431	255740	461171	181056	168149	177322	116195	175248	186632	143725	137187	188120	161170	112613	268516	97631	172651	162076	23269	10408	7784	92513	151151	15643	173399	168758	182830	185572	137732	13934	93745	113836	166367	241070	80699	189505	194535	70121	110964	136620	225807	154360	202473	270668	135313	170045	238847	132154	139696	179938	269070	170845	15163	89612	163512	356164	94820	89020	362646	361389	125203	126817	269860	142471	132402	582756	542983	366474	269366	156535	177962	13552	174103	192608	118233	130507	178862	202790	103505	147277	95975	169819	131195	14837	162945	105731	Lipid	0.125	1.5	0.0
2	C15 H24 O1 N2	249.19614	249.19656	-0.13119788	249.1961	8608	10077	9654	9253	2491	0	6693	22084	1853	4171	2422	22035	455	2087	27050	15394	18315	9708	12874	4791	5222	2130	37458	29850	26377	1412	6662	2117	14063	10990	13362	14052	9970	16167	4469	14822	8462	24068	17869	2958	1581	0	0	0	0	6581	3855	0	14094	16413	8324	9758	2669	0	14112	318	2635	20453	0	0	11903	1227	5176	6383	2871	2288	3995	29835	1155	3115	3110	18527	11675	10127	17688	11687	0	21021	42101	0	39811	0	0	2507	1099	1299	34329	5692	5607	21942	7081	0	25287	2747	3336	0	9875	11711	0	361	322	9365	19534	1986	1793	15640	392	0	26032	5476	Unclassified	0.06666667	1.6	0.13333334
20	C13 H28 O4	249.20604	249.20631	-0.016077433	249.20604	10159	9885	7428	9493	5180	1601	0	0	0	0	0	0	5490	1337	0	0	48878	0	0	0	17332	31336	0	1736	0	0	0	0	1484	0	0	2247	115713	0	9997	1991	45600	0	42467	0	155622	8233	2013	1811	1796	2289	4248	2451	0	0	11268	9778	5223	6083	0	0	1428	0	0	45947	0	0	2809	6406	1287	30819	0	128810	0	0	50604	0	1252	0	1482	0	1457	0	0	1910	0	0	0	0	0	1549	0	8623	0	43147	0	34993	78911	0	2145	2432	10682	8960	1769	0	2733	38249	0	0	0	4162	0	2628	0	3719	Lipid	0.30769232	2.1538463	0.0
0	C12 H28 O3 N2	249.21727	249.21765	-0.11999781	249.21724	9363	9613	10526	8644	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2503	0	0	0	0	0	0	0	0	0	0	0	0	3620	0	0	0	0	0	0	7307	0	9101	7417	1033137	0	0	0	0	0	0	0	0	0	0	0	0	0	1770	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7589	7946	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	2.3333333	0.16666667
26	C17 H28 O1	249.2213	249.22157	-0.022181947	249.22128	23482	29073	28538	24787	8914	14529	249847	21209	7142	15350	41159	13241	4428	101190	12439	18729	27666	7308	9476	18632	13135	13458	10685	12058	16175	54961	262913	87271	21257	23554	11061	25145	16311	13199	12062	21977	11940	23050	27893	15231	33213	24827	13302	8098	0	19597	25229	6868	21932	23485	26406	24007	12531	14129	7112	21892	34099	23992	17276	38510	36158	17505	32595	8868	127267	16400	37594	27769	33902	21916	23643	11952	15025	20619	21695	21400	17454	13283	16434	111368	14185	48775	52162	59231	13515	32421	39115	17800	19910	24761	86607	65940	11989	28675	25520	11345	27449	35780	26670	11817	37199	18781	12843	29306	30229	10966	25198	7175	24236	12249	Lipid	0.05882353	1.6470588	0.0
24	C17 H28 O1	249.2213	249.22153	-0.04461605	249.22128	23513	22908	20650	22668	7914	17405	291167	24063	2452	8373	17723	11115	2043	153500	6629	19658	26829	4453	6132	9399	6347	6310	5585	5166	10583	34148	279838	35186	13623	21716	9903	18903	15644	13323	5088	19708	9892	10623	26407	4019	23074	16441	7197	0	0	12231	21510	0	19745	58123	21947	18369	6212	5701	3625	16578	24611	22431	5903	40968	26051	7315	43792	2094	113562	14701	33402	24530	7896	11122	15054	22217	12198	36970	24263	24821	0	5828	6531	51866	5479	26803	59075	92961	7202	0	23818	16874	14664	33571	51843	35686	12180	7731	18531	3027	20394	23423	20996	5659	27878	8794	7335	23038	9392	9288	14520	2319	15950	15723	Lipid	0.05882353	1.6470588	0.0
22	C17 H28 O1	249.2213	249.22156	0.04930878	249.2213	10737	9293	5439	5512	0	2669	338055	0	1221	0	9210	0	0	45872	0	2824	8299	0	0	1782	0	0	1146	0	0	38969	334062	7939	0	5210	1281	0	2584	0	0	1369	0	3691	11066	1378	11364	3511	4763	0	356	1658	5298	0	2808	6371	9008	0	0	1438	0	3669	8911	2730	1401	18265	5799	3523	10307	0	34730	3101	5869	10981	5877	5256	11818	1499	0	2151	3137	3234	346	0	0	16704	0	9878	64758	162412	1998	3347	3421	4508	1213	9131	7898	6515	3323	2332	5411	0	7326	8604	6957	2178	5013	0	1734	3166	4495	0	3201	0	1111	3498	Lipid	0.05882353	1.6470588	0.0
26	C18 H32	249.25768	249.25778	-0.040747005	249.25766	0	0	0	0	0	0	26804	0	0	0	5572	0	0	27391	0	0	0	0	0	0	0	0	0	0	0	4758	34122	4509	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1897	0	44304	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5742	0	0	2616	5952	0	0	0	0	0	0	2056	0	0	2069	0	0	0	0	6636	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	1.7777778	0.0
28	C11 H7 O6 N1	250.0346	250.03485	-0.005079043	250.0346	8832	8100	7096	8669	14785	87485	4834	4468	13446	0	0	1899	5517	74756	2149	4091	8685	31580	10519	0	0	908	2196	5164	2455	0	3187	0	0	0	15007	1907	17628	1731	0	0	13669	2793	12730	0	0	6161	0	0	0	0	0	0	4098	0	8963	7935	30228	0	14894	8871	5093	4413	0	0	3379	0	4300	19612	6494	8555	24151	16374	0	0	0	1206	1034	0	3597	0	0	2198	8604	0	7733	0	0	0	13477	7978	3658	17673	12593	7076	0	1358	8702	1289	0	0	10957	6139	15741	1770	3879	10600	1170	0	0	6101	5213	0	4127	8054	Phytochemical	0.54545456	0.6363636	0.09090909
26	C11 H7 O6 N1	250.0346	250.03476	-0.20851621	250.03456	0	2033	0	0	13954	0	0	0	23418	0	0	0	9166	4379	0	0	0	0	14952	0	0	2059	0	0	0	0	0	0	0	0	0	0	3691	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5498	0	0	0	0	0	0	0	12879	2762	0	20135	0	4501	0	0	0	0	0	0	0	0	0	0	0	0	3430	0	0	0	0	0	0	0	0	3448	0	0	0	0	0	0	0	0	4342	3059	0	0	0	0	0	0	0	0	0	23425	Phytochemical	0.54545456	0.6363636	0.09090909
22	C12 H11 O3 N1 S1	250.05324	250.0535	0.04086425	250.05325	1779	3017	2207	2036	0	1717	4172	6966	0	0	0	2683	0	0	2659	12074	9136	0	0	0	0	2075	3989	23345	5495	0	3113	0	8194	9225	4452	7796	3629	11485	0	8869	3347	2339	9794	0	0	0	0	0	0	3515	0	0	10763	5192	1843	0	0	0	0	0	0	14480	0	0	10789	0	0	0	0	0	1958	9218	0	0	0	5458	4259	3692	7761	10176	0	1712	3039	0	4193	0	0	0	0	1182	3882	2158	2996	13933	0	0	5977	0	0	0	2469	1927	0	0	0	3667	2359	0	0	5634	0	0	6648	0	Organosulfur	0.25	0.9166667	0.083333336
6	C16 H11 N1 S1	250.0685	250.06897	0.5544845	250.06863	0	0	613	0	895	0	0	0	1093	0	0	504	0	628	0	1612	0	888	0	0	0	0	0	0	0	0	659	0	0	0	0	0	0	0	0	0	0	703	0	0	0	0	0	0	0	0	0	0	0	0	0	0	622	0	0	411	589	0	0	0	0	0	0	0	0	731	618	0	0	0	0	0	0	0	47797	0	0	0	0	0	0	0	0	0	0	0	0	1318	839	0	0	0	0	0	0	0	0	0	0	788	0	0	0	0	0	0	1916	0	0	0	Organosulfur	0.0	0.6875	0.0625
8	C16 H11 N1 S1	250.0685	250.06877	0.43790457	250.0686	0	0	0	1165	1346	0	0	0	683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1062	0	0	0	0	1103	0	0	0	0	0	0	0	0	0	1003	858	0	0	1051	0	0	0	1071	0	0	0	0	0	0	1096	0	0	1420	1176	0	0	0	0	0	0	40558	887	0	0	0	0	0	0	0	0	0	0	906	1421	695	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	0.6875	0.0625
8	C12 H11 O5 N1	250.071	250.07138	0.05184171	250.07101	55621	65962	48422	67053	83999	47825	34825	47563	97647	34678	26751	37593	127125	37420	36022	73356	64169	105980	116653	30838	42432	73375	53532	59353	29928	10893	42981	22790	39334	33062	40694	44793	67713	42047	49806	38428	66246	38703	74425	33657	55959	60345	2611	1351	2320	34190	37600	1971	53919	37568	52979	58364	70402	2503	111565	66229	47536	65916	31571	38076	73648	25023	129274	104941	39116	112866	60200	74885	21321	20219	35807	36185	35031	22532	40036	43071	1470	31137	60970	28201	50978	23960	25337	15580	72014	43334	65551	69399	74014	117671	31253	43495	117006	36795	42563	2315	61869	57967	61468	89529	82525	70142	35565	42096	15545	68494	64112	1416	38061	154628	Phytochemical	0.41666666	0.9166667	0.083333336
12	C12 H11 O5 N1	250.071	250.07135	0.041330647	250.07101	95009	89405	96217	94782	111152	71139	66164	70176	93202	42038	42708	55957	105193	51014	53754	147681	103765	166756	164616	44974	48542	116595	70410	114928	55615	10767	72595	28832	67250	63667	67259	91887	132696	86775	56206	68609	135540	57890	128830	43478	77597	92846	3186	2712	2759	43752	42746	3634	101106	65667	103886	114579	99131	3067	104155	56943	54986	153882	32322	62323	145742	27644	131876	102973	45145	135229	83469	116719	17976	21865	23406	67554	71025	51835	99934	70819	1522	54008	91074	44222	64599	34559	38323	20291	76199	56203	112303	114597	101236	204590	79594	85040	180492	43904	58322	4196	102145	88497	59535	74526	74873	152266	59376	61577	0	125602	61657	2662	62723	180869	Phytochemical	0.41666666	0.9166667	0.083333336
18	C12 H11 O5 N1	250.071	250.07129	0.05757203	250.07101	13130	12768	9649	11408	15104	10340	9254	11600	9110	0	3075	9678	13635	8480	14481	14374	16954	21823	20334	2647	3099	14899	11802	18320	6635	0	9122	3500	14150	8433	7144	10673	19952	10379	3831	8841	15096	5832	19691	4317	6754	14906	2509	2232	2790	5633	2694	3386	16879	12930	9006	11385	15226	2157	14845	9472	10878	19263	2201	8252	16314	2607	11390	11203	8796	17337	12681	20342	1906	1607	1742	9478	6864	7841	10456	10226	2403	7913	16732	6008	14170	3703	4142	0	13363	9708	18654	17683	15469	36400	8975	6022	26409	6823	4544	3364	10107	7832	6628	7332	10706	16810	6402	8987	1979	21829	9112	2168	14075	23464	Phytochemical	0.41666666	0.9166667	0.083333336
10	C12 H11 O5 N1	250.071	250.07135	0.048258144	250.07101	81429	81169	73016	68539	105272	66368	51723	62508	100663	54061	34306	59431	140447	50827	51649	109370	93115	157304	154172	45748	57430	94576	68138	80891	46291	10627	62934	24235	57404	54846	53823	62280	124702	63094	58871	56767	111818	55091	118742	51273	69629	75814	3697	1922	2890	40408	37492	2659	69382	49367	80362	77182	88627	2730	117262	74553	48046	101755	43930	54043	121140	33072	121434	113458	44169	132319	71410	118898	23590	28628	49549	60225	49776	37531	77265	58021	1724	45381	83775	38509	66917	36137	33184	19803	89760	60653	86099	97821	91515	150755	43166	55989	150655	53985	64942	3436	70240	77195	75882	89212	84241	99627	55647	57649	19171	91972	75577	2588	50787	189198	Phytochemical	0.41666666	0.9166667	0.083333336
4	C12 H11 O5 N1	250.071	250.07144	0.05055562	250.07101	11611	13046	8081	12687	16608	8732	6091	8437	21442	5488	7160	5775	22835	11364	6286	9086	11485	23141	21479	7240	8884	15094	9373	9830	4865	4044	4917	0	6920	5651	7014	6167	12474	6201	10484	7925	11139	6787	13456	8094	11098	11830	2117	1445	2626	8232	8473	2350	8608	6324	9309	8101	14199	2435	23581	18340	11593	10971	5172	6678	9938	4070	31211	22735	7887	21426	9765	13612	5208	5612	7832	6039	5729	5940	4396	7239	1353	5718	9045	0	8501	5793	4503	2994	21542	11751	9438	14214	12576	14062	5276	6879	16107	5422	7028	5162	9312	13084	15804	27233	21716	11385	8301	7417	5659	10640	16085	1709	5060	38037	Phytochemical	0.41666666	0.9166667	0.083333336
20	C12 H11 O5 N1	250.071	250.07127	0.007029826	250.071	6462	5429	3445	5097	6556	9472	10288	8532	4730	0	0	6964	3517	4638	4644	8865	23169	5901	3825	0	0	2932	6175	5452	4668	0	11760	1947	8465	3576	6528	9517	26358	10451	4012	15347	21182	5473	24667	1193	2539	48807	2119	2111	3059	1628	2068	3824	9316	3340	3068	8790	12483	2681	4500	3282	3928	8396	3589	2536	9061	1177	4028	6671	3351	10319	17425	20703	1185	0	0	6593	11643	2594	20826	5507	2125	4999	10459	3540	5011	0	0	0	8061	3472	7512	9610	9022	12614	5823	1808	9098	3791	0	2223	5456	6361	5088	6981	6499	19012	8112	1875	2595	9940	3366	2806	11967	6833	Phytochemical	0.41666666	0.9166667	0.083333336
14	C12 H11 O5 N1	250.071	250.07133	0.04302928	250.07101	74604	70267	65942	64753	86161	68304	63126	80979	58951	33174	35099	51694	84360	53079	44471	98262	87518	107771	90290	22895	22581	88818	52930	81264	48403	6907	51256	23645	67721	52775	70459	80693	96312	91737	40740	64303	123178	45035	96998	33218	42373	65984	0	2513	2505	31026	26143	2874	99722	53229	71029	68243	79022	3043	65402	37364	47523	130844	27733	32961	117515	16556	76384	70920	38824	104122	68563	91857	0	11648	18465	69319	65903	44192	66484	69330	2110	52276	67143	48087	52315	20824	28739	19718	48934	43080	74698	100386	106187	153219	56958	50672	139759	40617	40928	4066	76194	70041	39142	56541	51395	102772	57286	39658	0	119725	45439	2414	57820	85240	Phytochemical	0.41666666	0.9166667	0.083333336
16	C12 H11 O5 N1	250.071	250.07132	0.051717304	250.07101	27040	32690	28322	25907	40321	26836	22228	27010	25595	9180	13616	19860	33139	23198	24928	35647	44224	45446	40577	4490	7331	34565	23628	36489	20713	0	17494	12705	23763	20430	22602	28559	44033	22144	13411	20971	42673	19022	47472	13636	17734	26570	2810	2408	3215	11681	8663	3555	34258	19825	21616	28730	33448	2890	21952	20767	20890	37531	8088	14546	41095	5012	34267	29760	17753	45638	28978	42547	4576	7131	7342	23681	16530	10709	23188	21695	2459	15302	34666	24280	24712	9596	12109	5779	22824	21610	42317	44839	34653	95508	28920	18255	58410	15917	17072	3486	30985	27641	19363	24060	19892	36992	23159	12690	3899	38656	19861	2535	25489	53767	Phytochemical	0.41666666	0.9166667	0.083333336
6	C12 H11 O5 N1	250.071	250.07141	0.064370506	250.07101	31674	42573	28290	32122	49155	27203	18512	27617	62127	20107	18011	20110	81038	22015	24985	43459	29979	76341	80874	22033	28958	44862	30199	36594	16288	5704	18077	8516	23846	19876	24191	26285	43639	25865	25865	21418	37124	25172	40992	21113	32524	32402	2468	1153	1896	21698	26806	1640	27855	24275	38264	33606	43187	1871	75536	50125	30799	43890	17350	26372	38421	16994	89872	58599	22807	63188	38367	42386	14364	16575	24581	22455	20170	18144	15382	22428	1482	16179	26753	9058	22786	15744	14232	8487	52540	27662	33482	44547	44000	63259	15973	22765	61279	19768	19518	2099	36138	31134	33325	56412	55881	42283	25008	23851	11935	40019	38854	1408	22886	123989	Phytochemical	0.41666666	0.9166667	0.083333336
6	C11 H11 O4 N3	250.08223	250.08263	0.078997485	250.08224	18790	21438	17407	18732	18575	11655	15039	18781	16747	11849	11463	15619	16416	6152	16228	28051	28969	21337	28663	10645	15451	24483	20731	37825	12531	2163	11797	5810	15671	12049	16161	18624	31084	17858	16821	14084	24030	17922	36055	11678	20691	18963	0	0	0	12388	12258	0	26160	13877	19284	20818	21876	0	17438	9654	15367	38307	7772	14390	31224	7929	19342	15464	12059	23376	21327	44194	3745	5807	6033	12023	12875	9118	11559	13161	0	10305	28211	4939	20871	5266	7018	4719	13940	14226	28322	31211	22862	67110	9815	14851	53474	8621	9762	0	19697	15777	9356	12318	14725	23625	12303	13583	0	37095	15112	0	18886	31067	Peptide	0.36363637	1.0	0.27272728
22	C16 H11 O2 N1	250.08626	250.08652	0.053782336	250.08627	11866	11231	6047	9471	5411	20050	5513	0	0	5721	11925	0	0	0	0	4151	63096	0	0	3513	12777	0	0	0	1875	0	9232	56630	19583	4249	0	76884	7192	120112	7168	18470	6732	1002	79739	0	2131	55517	0	0	0	0	7081	0	32407	0	11218	12413	12376	356	0	0	1421	33408	3764	12417	3553	0	0	0	3151	5375	11405	139831	0	2207	1947	0	3102	0	44209	4340	0	0	0	471778	0	75386	7794	0	0	1507	0	4349	5779	0	23467	16536	0	23783	7584	0	11191	11091	67723	0	0	11429	0	14421	14916	7254	0	0	0	0	Phytochemical	0.125	0.6875	0.0625
24	C16 H11 O2 N1	250.08626	250.08669	0.011926665	250.08626	0	0	0	0	0	0	0	1238	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	997	0	0	0	0	0	0	0	22343	0	0	0	0	7782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3295	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1084	0	0	0	0	0	0	4029	0	0	0	0	Phytochemical	0.125	0.6875	0.0625
2	C9 H15 O7 N1	250.09213	250.09258	0.14342396	250.09216	3104	4073	4651	4649	7447	0	1698	6009	3997	861	0	4849	20870	5085	2959	661	2849	12730	10285	883	2094	3813	4705	5487	1158	0	0	0	8045	2859	5050	4314	10218	12332	2035	6008	5611	1777	0	549	0	5353	420	0	0	1583	373	0	5485	2978	3479	3840	6596	0	5375	4081	1684	7528	925	0	1462	0	13994	5278	0	11707	6807	0	0	0	0	10720	8618	4596	0	3420	0	3813	1683	0	1420	0	585	0	3789	1930	2132	9356	7815	0	2422	2229	5984	0	0	0	3632	6134	1921	2446	3749	5758	4020	1828	505	7180	1626	0	1855	17555	A-Sugar	0.7777778	1.6666666	0.11111111
0	C9 H15 O7 N1	250.09213	250.09258	-0.012309645	250.09213	1679	2000	2291	2445	6822	9299	0	4646	2430	0	0	0	11655	6482	0	0	0	12769	6912	0	2358	4215	2358	2753	1791	0	0	536	8239	0	5183	3530	12706	10798	1723	2676	6169	0	0	0	0	3190	0	0	0	0	0	0	5502	1996	2192	1892	8578	1215	3495	1123	0	7468	0	0	0	0	17072	4051	0	5964	13784	0	0	0	0	9551	9377	3446	0	3385	0	1803	0	0	0	0	0	0	1155	0	1045	6120	8508	0	4489	2395	3923	0	0	0	3819	1942	0	661	1094	4511	0	0	0	9764	1071	0	0	25064	A-Sugar	0.7777778	1.6666666	0.11111111
2	C10 H11 O3 N5	250.09346	250.09392	0.042223077	250.09348	20416	27459	20337	15756	8455	16840	23132	61010	4519	2095	2005	17372	4933	18288	8142	1039	70331	8908	18697	2255	1346	6234	8328	22132	10908	0	0	4672	82378	52566	84455	69978	56314	56776	1030	67449	36384	9132	82097	501	0	60030	0	0	0	3951	597	0	82682	43352	25623	25179	48660	0	2400	1939	10069	62036	0	581	21886	255	6070	3194	13750	34021	43495	91523	0	9984	3600	44206	89354	58749	1007	76298	0	7791	4890	0	6490	0	0	0	2950	18034	9634	61747	43900	23912	0	1463	19365	760	0	0	24193	24183	3665	1882	3123	38897	14077	493	0	69751	1825	0	16634	6477	Peptide	0.3	1.1	0.5
8	C11 H16 O4 N1 Na1	250.10498	250.10533	0.6443453	250.10513	0	0	0	0	0	0	0	1088	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1052	0	0	1194	0	0	0	1169	0	940	0	613	0	0	0	0	0	0	0	0	0	0	1006	0	0	0	0	0	0	0	0	0	0	1403	0	0	0	0	0	0	2063	0	0	0	0	0	0	0	34151	1092	0	0	0	0	0	706	1154	1107	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	576	0	0	0	0	0	1060	0	0	669	0	Lipid	0.36363637	1.4545455	0.09090909
14	C13 H15 O4 N1	250.10739	250.10771	0.005255724	250.10739	280406	293859	267174	295978	224418	152316	240744	227171	144119	287544	191360	192437	174992	106229	158765	308965	306574	256381	247939	285341	277158	407768	149253	264891	174934	134694	223382	175670	210736	200512	233156	312286	353976	292792	321767	230464	404400	156099	371511	385313	502515	177617	10191	6621	6833	175362	211876	9323	335268	183492	289413	258504	211983	7140	166057	93888	133117	412970	148862	231194	282120	164977	153995	170348	95542	224534	169252	375968	127193	189090	311855	243713	233257	175440	242604	236537	5833	181421	196953	222377	165055	136626	224760	301418	107465	108793	224770	293409	264551	546550	313149	342121	469975	237178	364940	9391	289153	219673	107424	111456	107266	306609	181987	273727	82245	381264	117892	8492	226529	203263	Phytochemical	0.30769232	1.1538461	0.07692308
2	C13 H15 O4 N1	250.10739	250.10785	0.06977503	250.1074	204170	204388	162704	201128	241803	146023	95550	185338	253536	172880	179026	154228	316509	91395	104661	298437	247187	307370	295274	170052	275897	224526	132375	183478	79399	74850	86705	90880	158344	140600	172938	161273	258120	146834	238463	153621	223126	103523	255521	152985	225744	197787	6085	4396	5812	101817	138065	5350	170326	129717	173756	187964	224149	5062	324098	158099	125913	313863	60325	142705	269392	92920	304256	308403	109281	271058	220570	289816	119736	137765	176725	148766	178057	141476	174634	165499	4729	107741	126343	66938	94792	65631	63031	67127	169730	109419	130447	242919	223360	470662	84588	114048	335807	112220	114638	10720	194202	201675	167045	197028	187564	211245	138114	140865	83091	221654	176683	5083	99315	403056	Phytochemical	0.30769232	1.1538461	0.07692308
18	C13 H15 O4 N1	250.10739	250.10768	0.021186111	250.10739	43520	42882	45404	40976	36021	40740	37391	56555	25721	31081	27069	35391	33658	32958	36281	66485	58600	59664	44459	27099	30704	57273	38725	68752	39812	16792	34267	32507	56982	47874	54102	50248	80975	52961	30648	51411	85119	35817	73022	42983	50585	43635	7044	6090	7677	27399	26001	6986	61197	44381	47154	44001	38895	6012	34702	20279	27896	79712	23090	33003	68137	26809	31940	27833	21598	54345	41403	64086	17121	13633	25242	48660	47318	36335	39862	49003	5848	33479	44286	49738	41132	23857	29725	21685	23868	27849	44593	55720	50559	76824	61508	65416	97623	32229	34037	8753	43273	40183	23687	20808	21839	67200	33542	43132	16524	59115	17379	6305	43740	46170	Phytochemical	0.30769232	1.1538461	0.07692308
16	C13 H15 O4 N1	250.10739	250.1077	0.028349232	250.10739	134871	126321	115444	126361	105018	108843	116517	122477	79209	98938	68994	84961	84574	67275	97181	181121	192126	154274	131439	100775	106356	158134	93605	182966	100047	46362	101050	76650	124393	103493	132736	139679	227718	131118	117893	130198	255307	79871	206931	118657	158826	99818	14610	7980	8839	89328	78541	8057	179062	107899	132028	135436	115993	7981	74138	48544	58713	204341	76252	116349	151098	63979	87782	74272	46354	124087	111489	200841	55316	69365	88083	118988	120132	97058	132533	121140	7611	68075	115226	137133	81022	77202	84591	66968	65181	57507	131221	147571	132345	251403	149493	151965	256328	108133	123293	10406	123822	122007	52798	52302	58487	182909	73583	113071	37273	174763	62440	7573	113441	143211	Phytochemical	0.30769232	1.1538461	0.07692308
0	C13 H15 O4 N1	250.10739	250.10785	-0.07321491	250.10736	16647	20706	17913	17238	30115	14359	10566	20173	32136	12709	15220	13448	33164	15066	13738	11152	19973	43030	32511	15417	29085	19255	15893	13106	8354	11107	14616	11246	19289	11887	18881	16558	35559	16293	23895	20416	27178	13748	28930	13512	13950	27809	5264	5184	6708	10713	10279	4434	26853	14152	15757	16767	29909	4618	37009	28343	15563	23210	9135	13076	14532	9400	31209	35746	24717	31574	26915	24690	13321	10178	11406	18889	20257	15212	12802	23608	5077	10938	12787	6214	10799	10310	10037	6195	20872	16496	13166	29917	29048	14522	14247	10106	26608	11555	13077	6312	19050	19717	19854	23132	24477	19948	14694	14443	10342	23553	28030	4638	10754	46042	Phytochemical	0.30769232	1.1538461	0.07692308
12	C14 H11 N5	250.10872	250.10927	-0.03581773	250.10872	387154	449208	429698	417310	244026	199948	336486	317843	208223	389097	272925	208309	188322	131141	211018	620397	531946	370216	396517	472622	464901	586962	280559	535821	244062	218977	360986	209734	310719	343124	317972	408551	481419	368002	412926	302940	543976	233090	638436	450436	681015	289126	9161	7302	7255	271113	321667	7550	503574	325926	433978	443520	306306	7379	269510	119903	176986	542674	205620	254995	467970	241159	240102	216799	135541	310333	281571	598506	235176	319169	388162	285928	274518	258557	481829	336059	5036	212784	324342	233649	266038	215427	244733	279029	156692	182819	401387	357282	317581	750304	443896	435739	691293	301768	593406	9263	411718	425555	166221	136518	141533	568313	230671	375872	134063	458881	168967	7084	286390	345745	Unclassified	0.0	0.78571427	0.35714287
20	C11 H15 N5 S1	250.11209	250.1124	0.11696154	250.11212	14442	10740	9720	13715	0	16635	3262	68785	0	0	2691	31186	0	0	13976	103398	50990	1748	3168	0	0	0	4423	24157	19924	0	27343	0	149426	148790	108347	52748	42631	3147	0	117890	71306	29028	52816	0	0	28853	0	0	0	0	0	0	94916	109055	9939	13148	3690	0	0	0	3770	21065	0	0	61765	0	0	0	0	0	9305	88440	0	0	0	2250	4109	133943	116759	76843	0	29054	0	0	0	0	0	0	0	0	0	7261	7548	8078	12520	0	5032	0	0	0	15810	8025	0	0	0	110978	26187	0	0	41074	0	0	1898	0	Organosulfur	0.0	1.3636364	0.45454547
8	C12 H15 O3 N3	250.11862	250.11897	-0.052321892	250.1186	23128	20889	19930	21492	11808	9608	17376	21676	9633	15273	10326	17242	8138	6937	18498	36710	29382	14617	17406	19170	23113	34174	18936	44433	20102	9834	17747	11931	20160	15675	13074	19237	19709	20288	17210	16587	23449	18234	31889	22021	28888	12854	1939	1414	1337	22711	21131	1569	27910	19337	19916	21453	11020	1478	16118	5661	10025	27334	12565	19559	31675	14133	11342	10938	9216	10351	14750	32694	10856	15093	15958	22175	17368	11762	17676	16114	1047	13556	28660	16753	23092	15213	19639	18119	8016	10880	26338	18527	15539	73405	18187	21094	60726	20919	27890	1781	19598	17158	8387	5714	6329	21214	12351	24658	0	30285	11474	1365	28500	11563	Peptide	0.25	1.25	0.25
6	C12 H15 O3 N3	250.11862	250.119	-0.044495	250.1186	35784	36412	30420	35699	20499	16779	29443	40041	18940	31918	19336	23105	25066	12553	26803	49583	42832	25146	27433	37770	35717	51946	34730	61041	30121	15095	29229	17456	26450	29036	31288	30086	39035	32814	37410	27236	40128	29236	57380	32359	48677	20448	1955	1765	1315	33439	38210	1539	38165	34498	39812	35800	19561	1558	21738	11441	14418	44299	27790	43375	48827	26922	18533	12199	14686	26148	24589	55389	16988	23722	32834	31286	27820	26369	24834	30733	1542	22115	35271	19385	32663	21859	31250	28558	16208	15449	38808	24554	22937	103246	34332	34663	85360	31098	37351	1592	33136	33855	11753	11121	15441	40179	26291	42890	14488	46089	16940	1549	38780	24822	Peptide	0.25	1.25	0.25
2	C12 H15 O3 N3	250.11862	250.11905	-0.016840203	250.1186	49199	48865	44962	46905	45639	35378	34132	47280	41316	55060	42788	40151	42752	21888	40769	33953	71768	67364	63593	52848	84483	81370	46511	49122	33745	17899	23532	35893	48182	36057	54436	41926	69164	44795	80955	37191	55143	40004	75427	62536	66455	49156	2930	2660	3168	34016	43576	3034	46949	30937	48866	50804	49010	2800	46343	20529	33952	58232	23561	44581	35299	32380	51549	41587	33432	56738	55661	85640	24812	37193	41111	43338	40478	32201	34887	43473	3102	32643	45734	32328	38271	22305	27540	32456	32996	34058	47556	69304	53481	123802	45372	50267	117982	43035	28912	4761	48655	50431	32413	23843	26724	46384	38168	47805	27227	65518	27756	3228	46875	55365	Peptide	0.25	1.25	0.25
8	C10 H19 O6 N1	250.12851	250.12886	-0.053218942	250.1285	4042	4347	5213	4294	10068	5603	9204	4828	7565	1681	3340	2977	13038	8401	5404	8176	8366	10985	9884	1847	1519	1092	4505	4997	3115	2376	5290	1889	7154	6278	2128	5346	6390	6462	0	6314	5571	5722	8965	1501	1061	8369	3101	312	565	2765	1225	506	5697	4545	4043	4368	6695	968	10412	7658	4482	2673	1194	2629	4660	0	7857	5843	7062	8219	7502	5503	0	0	0	3574	5895	4697	3941	5288	301	3841	4035	4663	2447	1701	26144	22645	13571	9038	4701	6259	6151	2874	0	0	4270	0	0	1087	5151	5730	5564	9422	12040	6775	2085	0	0	4393	8086	403	3900	10584	Lipid	0.6	1.9	0.1
0	C10 H19 O6 N1	250.12851	250.129	-0.08103198	250.1285	10105	9524	9591	8027	13067	16173	1978	21792	9346	2840	0	5218	18723	8270	3257	4880	2843	27963	20020	3789	6309	9135	6730	13620	7108	0	0	0	51031	10733	22181	24061	71250	44510	8495	23409	33231	2994	3942	1734	0	17787	0	0	0	5235	0	0	23622	9296	9340	7998	18286	0	8578	3232	2212	23978	2469	0	8550	0	17128	10757	2109	24520	41299	3412	0	0	0	50992	53635	23800	0	29210	0	9701	1480	0	0	0	0	0	2783	1829	2518	22244	22434	2110	0	0	15253	0	0	0	8979	9713	2453	2176	2081	18887	4835	3766	0	22224	4202	0	0	37920	Lipid	0.6	1.9	0.1
14	C10 H19 O6 N1	250.12851	250.12877	0.029623773	250.12852	0	0	0	0	0	0	2356	0	0	0	0	0	0	0	1419	0	2329	0	0	0	0	0	1134	0	0	8442	5176	0	0	0	0	0	0	1348	0	0	0	0	0	0	19708	0	0	406	567	0	8891	452	0	0	0	0	0	881	0	0	0	0	0	0	0	0	0	0	1092	0	0	30536	0	0	0	0	0	0	0	0	478	0	0	0	1042	1250	0	1166	9801	0	2135	0	0	0	0	0	0	0	0	588	0	0	1030	1606	3483	0	0	0	0	0	3014	554	1553	0	Lipid	0.6	1.9	0.1
2	C11 H15 O2 N5	250.12985	250.13022	-0.15870255	250.1298	4296	5701	5626	4102	1429	0	1811	5815	0	1174	0	1213	651	748	1507	5504	2146	0	1998	1390	815	6177	2331	6115	6275	0	0	0	3532	2988	6162	3324	3280	2415	1089	2686	2520	1168	3838	1025	680	0	0	0	0	1006	976	0	5162	2835	6056	6228	1761	0	0	0	1087	38299	0	0	4785	280	0	0	0	2082	2402	5378	0	2863	0	2401	2028	2263	4075	2229	0	1717	3270	0	1586	0	0	440	825	1140	2365	0	1947	22926	23865	9723	33958	0	0	0	4898	4581	0	0	0	2839	1583	2269	0	20106	0	0	3667	811	Peptide	0.18181819	1.3636364	0.45454547
8	C11 H15 O2 N5	250.12985	250.13016	0.04097255	250.12987	0	0	0	0	1921	1658	0	0	1037	0	0	0	970	0	816	0	0	3087	53613	0	0	0	0	0	0	0	0	0	0	0	738	0	1219	0	0	0	1483	0	0	0	0	0	0	0	0	0	0	0	0	0	848	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1080	1457	0	0	0	0	0	0	0	0	0	0	574	0	0	0	0	0	0	1879	0	0	826	0	1370	0	0	1526	0	0	0	0	0	0	642	0	0	0	0	0	0	0	0	0	0	Peptide	0.18181819	1.3636364	0.45454547
22	C14 H19 O3 N1	250.14377	250.14404	0.009034327	250.14377	7237	7781	6714	5730	7073	5642	4193	7582	2978	5829	8261	4321	0	0	6081	11768	6360	5296	4472	7555	9505	11632	6857	12737	5024	0	4830	7802	9693	7077	7449	9825	12113	7295	8003	7260	13894	4666	10518	7649	10957	4208	0	0	3185	4724	5221	0	10267	4633	7961	6101	5717	1927	2261	0	3586	10404	4078	10760	12452	6895	3720	2221	2508	4115	5248	5507	2406	2059	2613	6237	4710	6384	5546	9650	1735	6433	4116	11521	2393	5240	5944	6060	2501	2073	5432	5096	7856	12595	20195	12916	8591	9472	6764	0	7862	5929	4083	1389	1874	11029	6771	6023	2370	8741	2049	0	3373	4492	Lipid	0.21428572	1.3571428	0.071428575
20	C14 H19 O3 N1	250.14377	250.14406	0.04560691	250.14378	35507	37661	34389	33775	80617	44365	18338	34802	15107	58436	51787	18599	12532	16142	17638	41305	36376	31522	21218	87605	85924	54616	16220	35690	18153	12585	19247	59608	46365	36050	32229	44167	61597	92269	53216	29260	105496	15296	39429	53505	75368	22333	4052	2811	2703	34494	53672	2888	50633	23352	44518	40552	46157	2379	13838	6589	11445	40218	37469	50358	34952	34627	16549	13730	8948	25804	24295	42359	9723	15501	23967	56324	43248	33992	28282	34145	2323	18621	16855	55756	12465	29348	35039	35868	15020	11989	26238	29237	26615	36283	81433	66105	39515	54130	50936	3348	39757	33210	16476	8626	10423	62806	16476	58063	31709	32338	19902	2670	19576	25090	Lipid	0.21428572	1.3571428	0.071428575
14	C14 H19 O3 N1	250.14377	250.14409	-0.005095008	250.14377	157403	159780	161563	160149	52872	51842	130034	136384	35734	165004	112010	123268	36653	28911	69826	193363	193626	62551	74022	192076	202360	216374	60971	130046	67596	141886	151293	99174	100921	150056	139743	208305	150966	205146	173730	156058	202861	62596	208331	240950	338165	60187	3311	2533	2177	134187	205383	2863	177694	140151	147014	137852	59164	3282	39442	20748	49583	214507	114693	207087	123587	97348	35678	36764	36447	57947	57853	232573	99211	136280	204882	173327	174330	180827	189879	173528	1958	90648	82382	96111	61341	108397	195612	189545	30313	32717	96435	103372	96159	290089	194823	212432	189114	131059	242154	3095	165415	119829	34799	23440	27476	164662	106586	225003	51258	179185	33715	2438	115796	35490	Lipid	0.21428572	1.3571428	0.071428575
12	C14 H19 O3 N1	250.14377	250.1441	-0.016878571	250.14377	134622	159350	137741	148344	42741	47177	95207	87383	33444	156794	105587	59171	25024	24752	48171	195518	142985	52899	68028	207428	196315	213708	54257	146173	65006	173471	123113	80934	87823	100822	83304	144865	125351	125977	147642	111684	146820	55578	187634	187204	283461	64790	2544	2308	2508	136681	229889	3460	160331	106085	145050	149916	47051	2003	40967	22228	34272	162479	70539	138708	149097	101220	31500	30833	28012	50124	47611	165346	125383	201861	232158	94037	94301	99887	206064	127323	1864	56738	68736	77532	57477	101822	113651	135520	27914	31077	91120	80714	59863	247023	223143	186669	201781	116705	279542	3407	145232	140149	35396	22776	23844	180557	64324	165318	54209	120383	36322	2534	86729	46449	Lipid	0.21428572	1.3571428	0.071428575
16	C14 H19 O3 N1	250.14377	250.14407	0.004902863	250.14377	91772	94204	94469	92191	41445	42560	73458	97079	35026	146707	111037	100951	25775	39105	184321	143206	148516	47835	54493	173494	185136	133024	54504	87745	54234	103601	63996	96048	90568	95328	201335	89731	115357	79901	155055	100166	106123	147810	153276	133295	206024	46819	4325	3067	2987	78458	113085	2406	126110	109273	107719	100436	49784	3003	27538	22698	33831	126351	54340	109694	121402	83207	31654	30040	27347	45641	53672	144632	80221	90475	128626	84681	78481	95214	115885	91840	2134	125304	63036	114995	41088	69356	86309	118780	24921	26262	66188	61775	61760	125847	128978	126966	126737	119287	151825	3053	88404	98625	29513	23247	27997	112602	121261	94893	52770	114923	33209	2770	67360	35151	Lipid	0.21428572	1.3571428	0.071428575
18	C14 H19 O3 N1	250.14377	250.14406	-0.001566316	250.14377	79532	84484	77302	67967	35343	43960	56454	53405	21832	213047	155039	38784	22340	38867	39434	67399	74297	43448	46400	246427	265088	149917	32231	56236	33829	70026	52183	168151	65311	55917	52294	77900	79073	70070	220593	70924	88151	35139	82785	171760	188906	48227	5593	2714	2418	76107	89300	2746	77891	44800	78733	82276	37722	2801	25742	16103	23170	90059	49928	103481	70550	111128	28255	20248	22313	35141	48851	93654	54860	75943	83543	50167	43961	57927	64709	58605	2188	33909	38509	148922	27713	74641	67163	110606	19740	22989	48338	46465	51291	78690	189991	171790	76331	131629	189829	3589	82979	80524	27868	14679	21160	90591	35234	101776	51029	65483	23731	2322	43773	30770	Lipid	0.21428572	1.3571428	0.071428575
10	C14 H19 O3 N1	250.14377	250.1441	-0.023467986	250.14377	103065	91993	90041	91852	42103	38340	75687	98021	27045	132129	71355	57941	34952	32798	53195	121677	128336	54573	58593	173195	199369	133166	50064	111970	60459	169079	105262	69580	95728	86903	74117	99967	141937	95866	151027	93034	118786	55023	149799	142626	187061	43485	3710	2486	2573	97141	123529	2827	114961	74267	97652	94050	45039	2543	35532	21828	22830	123129	41715	96545	101075	74365	35955	30629	28506	44858	42258	152067	142991	168067	205570	81634	95220	94514	118335	94395	2287	49185	65073	78109	56086	64860	65947	94881	33245	27393	78684	56217	46330	169769	110441	92904	150554	101850	185573	2987	90023	93090	26692	29675	25647	116088	50942	99464	49681	99278	31279	2719	72635	36401	Lipid	0.21428572	1.3571428	0.071428575
0	C11 H23 O3 N1 S1	250.14714	250.14752	-0.3972567	250.14705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26119	997	0	9199	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1199	9551	0	1540	0	0	2963	0	0	0	0	0	12950	1861	0	0	0	0	0	0	0	1806	2254	0	0	0	0	0	2621	0	0	0	Organosulfur	0.27272728	2.090909	0.09090909
10	C13 H19 O2 N3	250.155	250.15529	-0.07038852	250.15498	3769	4172	3232	4204	0	3702	1844	4060	0	3351	1803	2808	0	0	1407	6821	4683	0	2269	6674	4434	6157	2116	6226	3323	1717	2399	0	3554	4674	2495	3706	5069	3011	3068	3725	4946	3020	4994	3347	4217	1333	0	0	0	3933	5726	0	4123	3704	2868	4204	0	0	0	0	933	7844	0	3768	0	3248	0	0	665	0	1371	4114	0	1330	1660	4445	1424	2402	4002	3730	0	2339	3107	0	2005	1564	1866	3418	0	991	4540	2905	2144	22255	6427	2671	17117	3760	11658	0	3663	2728	0	825	0	2383	3274	3740	0	5013	0	0	4967	0	Peptide	0.15384616	1.4615384	0.23076923
8	C13 H19 O2 N3	250.155	250.15535	-0.055437803	250.15498	5106	5607	3886	6909	698	721	3530	4576	0	5383	2764	3872	1101	0	2340	9604	8229	2128	3719	9074	7970	10025	4019	9886	6180	1671	3089	2280	4875	5131	4332	6463	5514	4700	6361	4381	6944	4868	8997	6497	5833	1638	0	0	0	8016	6252	0	6023	4421	4493	4983	1445	0	0	0	1401	5981	0	2162	8188	2587	0	0	1570	2389	2285	8000	0	2959	2138	5591	5424	4273	5011	6768	0	3310	6363	6868	5623	2074	2827	5568	0	0	7000	1986	2112	31195	0	0	27533	6195	11808	0	5327	4912	0	0	0	5559	4424	4382	6608	9365	0	0	6778	1042	Peptide	0.15384616	1.4615384	0.23076923
6	C13 H19 O2 N3	250.155	250.15538	-0.04380955	250.155	9601	10377	11251	10768	11636	4642	8584	13929	1871	11266	5135	6953	8266	1393	6670	16116	14321	21662	18717	12695	13001	12253	6936	18627	9515	2947	6123	3958	8977	10070	9146	12147	11972	10978	12711	11773	14025	6794	14452	10719	11839	5695	0	0	0	7281	12737	0	13894	8725	9768	12619	8475	0	703	1080	4018	11401	2867	5326	16063	8099	684	16468	4153	7674	8004	17128	2627	4472	5558	11077	9262	7319	7891	9812	0	5861	8408	6278	6301	3856	6263	10395	6047	5677	7615	9987	7659	24567	19026	6587	27691	10215	16891	0	11352	8500	2340	1969	942	11275	6567	9555	0	13622	5105	0	8086	2489	Peptide	0.15384616	1.4615384	0.23076923
12	C18 H19 N1	250.15903	250.15923	-0.11435933	250.159	0	0	0	0	4694	4670	0	0	0	0	0	0	0	57552	0	0	0	0	1616	0	0	0	0	0	0	0	0	0	2092	0	0	0	0	0	0	0	0	0	0	0	0	11885	0	0	0	0	0	0	1190	0	0	0	8573	0	0	0	4357	0	0	0	0	0	0	0	2496	0	12369	4436	0	0	0	0	0	0	0	1016	0	0	0	0	0	0	0	0	0	0	0	1153	4179	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0	1.0555556	0.055555556
0	C11 H23 O5 N1	250.1649	250.16536	-0.15355907	250.16486	9554	8723	10481	6585	14280	118937	1773	22266	7524	1419	0	4360	71871	15297	6730	7550	5114	88619	28359	0	1840	17383	10347	9212	29921	0	0	0	53957	11950	32652	25279	59495	42089	1820	18866	45652	3178	5132	0	0	12513	0	0	0	4897	0	0	11717	7458	7093	10513	16775	306	6143	4214	3650	15742	867	0	4346	0	12086	10748	5779	79308	24391	4830	0	3522	0	27721	30238	27517	5357	13860	0	32509	3017	33118	1577	0	0	0	3680	2723	2436	10116	17628	3993	0	3479	21682	12573	11650	0	10029	9933	3060	4432	5909	5487	10393	0	1377	21548	9143	0	1419	47517	Lipid	0.45454547	2.090909	0.09090909
2	C11 H23 O5 N1	250.1649	250.16527	-0.12926266	250.16487	4474	4859	4899	4396	11179	0	2388	4380	13485	1082	0	1534	10906	27931	2972	5797	2696	14722	18274	902	1008	4759	3947	4551	2313	0	3144	0	3857	3719	3918	3800	4643	3445	1840	3933	4872	2343	2368	671	598	0	0	0	0	1635	1403	0	5136	2835	5710	5351	6248	0	8250	5271	2733	4932	665	727	6339	0	15392	4981	6052	7669	4937	3876	0	499	0	2555	4318	4007	2182	3833	0	1915	4751	0	2613	0	1793	1816	23418	3225	8019	7076	3618	10582	0	0	11301	0	2919	0	6012	4688	7972	5056	5308	2998	2098	1615	1380	4099	8556	0	2537	42138	Lipid	0.45454547	2.090909	0.09090909
26	C15 H23 O2 N1	250.18016	250.18034	0.024630317	250.18016	3574	3751	4354	4390	0	0	2701	0	0	0	0	0	0	0	12353	7442	0	0	0	0	0	0	186801	44126	20932	0	0	2024	0	0	0	0	0	3675	0	0	0	15020	0	0	4690	0	0	0	0	0	0	0	0	0	3888	3360	0	0	0	0	0	3889	0	0	6589	0	0	0	0	8450	0	0	0	0	0	0	0	0	0	0	0	0	37381	5261	259722	19080	0	0	0	0	3535	0	0	5076	0	0	0	0	0	0	2651	0	3364	3766	5408	0	0	0	0	3913	0	0	59967	0	Lipid	0.13333334	1.5333333	0.06666667
6	C15 H23 O2 N1	250.18016	250.18053	-0.047360808	250.18015	88200	95350	82959	95085	161276	59867	75276	126797	23989	160750	65716	53347	31835	48645	44689	160429	68497	44143	78190	180190	185203	93627	52095	152517	72462	51316	100359	63282	87029	82730	96366	96503	103576	86150	179479	80231	96318	44415	82267	76310	28199	178029	0	0	0	68882	65641	0	123108	99168	92856	94624	55120	0	24287	21686	166044	178373	0	551	149423	39933	21410	20097	34686	82927	294471	115367	31759	72289	72970	91391	70656	79661	92185	76520	0	48055	64159	53542	47844	8314	4605	81731	19734	27883	79472	44124	56116	245364	230573	26722	288091	73022	169977	0	87621	79139	25006	12521	19683	86295	46606	77633	29592	177537	24731	0	57164	24632	Lipid	0.13333334	1.5333333	0.06666667
22	C15 H23 O2 N1	250.18016	250.18044	0.013443984	250.18016	16268	15469	12937	17024	367305	70283	10417	8552	9953	6247	6066	7913	2087	5854	9034	14879	11604	55480	27472	11613	10655	13591	11674	7750	9390	11769	7614	12038	13198	12249	13448	11585	14473	11115	3200	12624	14911	5461	14521	12775	19378	14958	3217	0	352	21349	40205	0	16511	13093	15654	20502	172189	1975	35264	0	10333	10114	10183	23952	11102	5871	45762	27541	8723	7225	11561	16818	7424	10155	15377	7124	12716	14630	13192	15102	868	6889	7430	24790	11268	24337	16496	8246	39977	12017	7256	12511	10343	30157	25585	25932	10684	15017	16102	0	13760	18621	37542	2374	3076	17769	8572	20528	18963	8433	155812	0	15152	16102	Lipid	0.13333334	1.5333333	0.06666667
12	C15 H23 O2 N1	250.18016	250.1805	0.03613052	250.18016	10747	9970	13163	11701	4818	3928	6856	11393	4495	13692	12668	6189	3036	3405	6688	16997	13647	5404	10736	18073	20802	18188	3559	15240	5491	8333	6591	0	6161	6661	28435	7036	13598	7738	23847	5856	16212	5671	16962	12385	8467	4861	0	0	0	9452	8022	0	14474	7175	9766	9000	6200	0	3544	1444	2497	16989	0	0	0	2955	4327	1642	1908	4326	7216	37667	0	8038	17254	10565	8560	5080	7648	8500	0	4963	5232	0	4565	1077	972	11955	1807	2466	13029	7399	6140	34754	20598	3728	32126	10425	20917	0	9518	7916	2600	2271	2444	11995	5823	4395	0	11616	2639	0	5600	4755	Lipid	0.13333334	1.5333333	0.06666667
10	C15 H23 O2 N1	250.18016	250.1805	0.019104362	250.18016	26047	22571	20455	22207	15522	10451	14455	19498	9445	41927	27057	12951	9742	6832	7501	26033	19537	13685	26065	52069	56295	16801	11962	20952	12145	12289	21561	25347	15444	19102	16565	21935	31143	19610	48795	18191	32730	12979	25609	33890	15019	12024	482	0	313	19757	18053	0	31908	16651	21189	21313	17020	0	15340	4886	6804	35472	0	4390	27694	12052	11713	8773	5740	15264	13207	39151	11088	18606	19607	20999	17028	13055	24840	19641	0	11796	18114	15554	16603	1964	0	28373	7944	6483	24303	16328	14429	71207	55598	4927	48211	20601	42287	0	20065	22920	7514	5941	4725	27088	14309	19434	0	21727	6868	0	17365	14111	Lipid	0.13333334	1.5333333	0.06666667
16	C15 H23 O2 N1	250.18016	250.18044	0.03281048	250.18016	4954	5750	9770	5787	20547	8285	4453	3460	3028	8825	6915	3894	0	44664	3192	6698	9560	12443	11406	10811	13597	13681	1816	5539	2784	15825	3517	9429	4413	4166	3799	3963	5611	4636	8539	4994	5506	1654	9607	11813	22100	10468	286	0	0	10771	19553	0	6461	6416	8961	6127	14381	413	0	1322	2326	6835	0	5864	9054	5188	0	0	2691	7637	9104	13477	8694	14601	26266	3802	4719	3060	8300	4799	0	2710	3573	10490	2965	7596	2351	8102	3482	3115	4187	7750	7798	36573	19812	7500	0	11108	16072	0	6928	10681	2672	1416	0	5295	2288	5187	5037	0	4155	0	3407	2530	Lipid	0.13333334	1.5333333	0.06666667
8	C15 H23 O2 N1	250.18016	250.18051	-0.015241749	250.18015	52361	61459	47934	51087	71548	47251	46681	47607	30484	78893	40737	25250	48180	744682	24098	59554	31079	54853	90687	88310	85746	36243	14582	42034	23610	23218	64822	38532	37465	27798	35072	48386	39096	42114	102731	35043	44173	25185	29625	64864	16327	53200	713	0	0	27916	25302	0	55116	44620	46667	53876	61879	0	25778	38114	39261	60716	0	1309	58941	26942	12160	28926	38898	46702	87651	45189	17045	36433	41523	47653	33249	25171	36829	34513	0	27216	22147	30298	15516	2007	2120	60122	16763	14130	28637	31594	46468	78653	72184	7501	64091	36565	75669	0	49341	51461	23197	10769	18183	38782	25093	38159	7937	39969	27333	0	21286	19816	Lipid	0.13333334	1.5333333	0.06666667
18	C15 H23 O2 N1	250.18016	250.18044	-0.026153648	250.18015	11198	16877	12561	11783	7906	6252	4506	5751	3355	28624	19894	3293	0	4463	0	14565	7694	2231	4842	28766	32629	26386	2417	8625	3666	61277	8019	16117	5021	5379	5889	6919	7979	5739	23434	7704	10826	3121	9774	36814	54197	3931	751	0	0	35769	46877	0	6831	6628	11944	16177	3625	663	4428	1658	1562	7706	5826	22430	8854	18019	0	1771	1986	5476	5281	15246	36598	50619	69338	5525	4730	3558	13039	4437	0	1062	2794	37323	1137	26256	9794	25881	2754	3645	7569	4803	4124	39989	30678	37021	22576	21004	39476	0	14485	10818	2016	1428	1925	6012	3967	11027	20118	10184	3766	0	4024	5382	Lipid	0.13333334	1.5333333	0.06666667
20	C15 H23 O2 N1	250.18016	250.18044	-0.014837326	250.18015	12349	16033	11584	13584	7554	3843	10685	5635	2461	17649	21052	6959	0	6276	3596	12403	21286	2643	3393	25447	40591	28135	5927	13558	4792	56542	7668	17383	5929	8600	7991	10868	12025	8656	16739	8802	12102	7003	16122	33583	57435	4972	430	0	0	45479	82806	0	7854	7403	13112	12742	5316	742	2952	2135	3759	12705	8380	25406	11400	18955	2422	1588	2320	4724	3236	18870	40898	44811	67114	11244	10081	8447	17285	12955	351	4568	8761	34013	5220	30351	14790	26934	4667	4217	9848	7119	4618	44915	30587	32909	25130	28389	33734	663	13020	15757	3035	2282	2864	8795	5730	20279	31026	9849	3802	0	9675	3923	Lipid	0.13333334	1.5333333	0.06666667
4	C12 H27 O4 N1	250.20128	250.2017	0.010197694	250.2013	5343	7390	4330	7130	0	0	0	0	0	0	0	0	377	0	0	0	0	0	0	0	0	0	0	0	0	480	0	0	1208	0	0	0	0	0	0	0	0	0	0	0	0	886	0	0	0	0	0	0	4244	0	6093	7093	1128491	0	0	0	863	0	0	0	0	0	0	0	0	2305	4003	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	512	0	0	0	0	0	0	0	0	0	0	0	0	7220	6745	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	2.25	0.083333336
26	C16 H27 O1 N1	250.21654	250.21681	0.100367054	250.21657	0	0	2034	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42765	0	2121	0	0	2523	0	0	0	0	0	0	0	0	2170	2077	0	0	0	0	17855	38322	0	2510	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21998	9069	16120	0	0	13857	0	2474	0	0	0	0	0	26517	0	3016	0	0	0	0	0	0	0	0	0	2120	0	0	0	0	0	0	0	0	0	0	17835	0	0	0	0	0	Lipid	0.0625	1.6875	0.0625
16	C16 H27 O1 N1	250.21654	250.21658	0.03791932	250.21655	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23677	0	3998	0	0	0	0	0	0	0	0	0	0	0	0	0	113491	0	0	0	0	0	0	0	0	0	0	18088	0	0	0	0	718	2552	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0625	1.6875	0.0625
6	C16 H27 O1 N1	250.21654	250.2169	-0.054979905	250.21652	4761	5826	4727	6274	1291	559	23195	13333	0	5924	3705	7919	0	5293	7794	9743	3423	912	4246	7676	4756	13106	3567	9359	3932	5395	33671	3286	5689	5424	8339	8786	5007	6206	7283	6623	6724	6350	4312	4507	0	1370	0	0	0	2404	5525	0	11284	9804	4960	4460	1008	0	0	0	430	11559	0	0	11308	1200	0	0	853	4649	3131	9828	2965	4076	4510	9760	7989	6428	9185	6017	0	8844	3214	0	4229	0	0	5683	0	0	2268	2191	4063	12922	6610	0	14140	3662	9985	0	6094	4070	0	0	0	4922	9125	2189	0	9982	0	0	4664	0	Lipid	0.0625	1.6875	0.0625
24	C16 H27 O1 N1	250.21654	250.21675	0.03309461	250.21655	0	1580	1468	1481	961	3573	0	1919	0	5882	0	0	0	1634	0	3176	0	0	0	0	1387	0	0	0	0	8395	0	0	0	2682	3661	1655	4628	0	1527	1638	0	0	0	1139	1763	2580	0	0	0	17034	28805	0	11592	9309	1627	0	0	0	0	0	0	1102	0	3740	1307	0	6107	0	0	6074	0	1476	3821	3742	5866	835	0	4908	0	6819	0	0	0	0	0	11629	0	1107	0	0	1598	4393	1241	0	2813	0	2553	0	5637	0	0	1375	0	0	0	0	0	0	10351	0	0	0	0	15464	Lipid	0.0625	1.6875	0.0625
4	C16 H27 O1 N1	250.21654	250.21693	-0.119222425	250.2165	93730	114032	96153	98946	1044	19116	28294	337519	0	11397	15363	200564	0	2229	278717	576525	64740	3199	10908	26285	26913	20586	51822	314052	362071	1600	55963	5834	70383	158564	174317	72078	30893	71440	9619	69279	34117	247077	62845	19025	1370	59861	0	0	0	47642	26625	0	245755	222472	105404	88863	11552	0	382	0	16718	468608	0	0	469788	6720	0	1148	31437	2659	60605	89117	7575	25194	4330	190895	42772	24432	80528	77202	0	164255	69876	25635	73305	485	771	26145	363	6492	68514	18528	63743	241937	116672	588	589405	8398	23404	0	103692	107865	563	0	0	27389	174895	47260	12549	653607	0	0	296477	0	Lipid	0.0625	1.6875	0.0625
18	C15 H6 O4	251.03389	251.03418	-0.058849487	251.03387	0	0	1679	0	1279	0	1619	0	0	0	0	1612	0	3829	2007	1559	6121	1824	2946	0	0	0	0	0	0	0	1780	0	3341	1970	0	2738	2286	0	0	2715	0	0	6374	0	0	2048	0	0	0	0	0	0	1733	2147	0	0	0	0	0	0	3121	1743	0	0	0	0	0	2207	2710	7330	27737	2144	0	0	0	0	1631	1833	3377	0	0	0	0	0	1385	0	0	0	0	2777	1550	5552	7414	0	0	0	0	0	0	0	0	1777	0	0	0	2536	0	0	0	0	0	0	0	0	Phytochemical	0.26666668	0.4	0.0
16	C12 H10 O4 S1	251.03726	251.03757	0.029592713	251.03726	4577	3868	6846	3338	8189	4451	2224	0	4643	7311	6083	0	7010	3893	0	2262	1975	9122	8214	3270	3124	12873	1197	0	1590	1797	1628	2735	0	1254	0	0	1975	0	10850	0	4530	1482	1905	6941	6707	3329	1731	4468	3412	1212	2630	4427	0	1044	3274	4538	6912	3864	3463	3845	3030	3870	1883	3649	0	2389	5414	5320	2761	8398	6814	3553	0	2163	1929	0	0	0	1588	0	2998	0	3586	10357	1319	3601	3255	3794	6540	4970	2768	6307	9306	0	9601	8414	0	9894	16233	3798	3587	3249	6367	4585	9117	2468	1363	3620	0	0	86789	4360	2534	5256	Organosulfur	0.33333334	0.8333333	0.0
0	C5 H7 O1 N8 S1 Na1	251.0434	251.0437	-0.4591983	251.04329	9480	10126	10475	9297	8663	0	0	3204	1109	0	0	3897	20208	0	1625	0	1097	3771	11070	0	0	7775	0	6055	0	0	0	0	0	9407	0	9152	683	5131	4025	11128	5217	0	1147	0	0	0	0	0	0	1493	0	0	8693	10637	7526	9182	2361	0	371	0	0	5047	0	0	8804	0	0	1832	0	28698	0	2449	0	0	0	7915	6865	14394	0	8171	0	0	0	0	0	0	0	0	0	0	0	5936	0	2988	8140	5906	4610	0	0	0	9457	8085	944	0	6191	7737	3622	0	0	2133	0	0	0	16927	Organosulfur	0.2	1.4	1.6
14	C11 H10 O3 N2 S1	251.0485	251.04878	0.14519107	251.04852	2198	1678	1758	1575	1312	4084	2748	1523	0	0	0	1841	0	0	0	6488	6205	0	2661	0	0	4672	1762	8648	2898	0	1110	0	2711	1931	0	0	3567	2132	0	2842	3945	2490	5161	0	0	2393	0	0	0	0	0	0	4703	1758	2274	2179	2271	0	0	0	1196	4238	0	0	0	0	0	0	725	2288	1878	5656	0	0	0	0	2145	0	0	1743	0	1353	8602	0	3765	0	0	1322	0	0	8006	0	2743	25536	0	2754	15137	0	1645	0	0	2273	0	0	0	0	0	1946	0	6810	0	0	6692	0	Peptide	0.27272728	0.90909094	0.18181819
8	C11 H10 O3 N2 S1	251.0485	251.04886	0.16520663	251.04854	6076	6743	6375	9306	2236	5193	5558	5685	1371	1145	987	6122	1646	1438	3740	21857	25552	7455	7195	0	0	4330	3715	10070	4687	0	7333	0	13244	6263	4332	17588	11614	15528	1320	11592	15179	3580	39340	1596	1453	8440	0	0	0	1907	1711	0	13996	4980	7424	5970	3715	0	1452	0	1711	17331	0	2309	13317	0	1156	1883	1841	3615	7114	40774	0	0	0	6328	13266	8867	19213	11201	0	4189	6927	0	3543	924	0	1018	0	0	9097	13764	19418	23757	0	0	10982	0	951	0	6468	6045	1324	1016	0	12431	3369	0	0	13972	0	0	5554	3223	Peptide	0.27272728	0.90909094	0.18181819
12	C11 H10 O3 N2 S1	251.0485	251.0488	0.10815121	251.04852	0	2979	1792	2753	2683	1850	0	1817	1454	0	0	2437	0	0	1512	9476	4153	4184	3627	2345	2449	0	1881	7487	2200	0	0	0	4425	2655	1811	3811	6435	4788	2403	4776	6384	1051	6257	1640	0	2719	0	0	0	0	0	0	5239	0	2026	2664	2266	0	0	0	0	7590	0	0	0	0	0	0	1012	3261	3206	5196	0	0	0	2587	2296	2153	5699	4258	0	2620	5399	0	1912	1711	1175	972	0	938	4582	5226	5682	13255	0	2508	28801	0	1441	0	2305	2652	0	0	0	3377	0	0	0	11235	0	0	1909	4507	Peptide	0.27272728	0.90909094	0.18181819
6	C11 H10 O3 N2 S1	251.0485	251.0489	0.12413005	251.04852	4507	5216	4804	3747	2185	2547	3163	4459	1189	1096	1480	3305	1283	1083	4377	16360	8542	3420	3486	0	1742	4365	3932	15769	7192	459	3972	0	5644	2623	2459	4948	7776	4236	1647	3335	7232	3856	12882	0	2004	5640	0	0	0	3700	1723	0	6221	3207	4753	5819	3846	0	1174	526	2109	10412	0	1924	12048	0	736	1316	1291	1674	3070	12192	0	1344	0	3003	1749	0	3696	3029	0	2025	9370	0	4862	1103	834	0	816	1407	9951	7768	5789	42936	0	1668	35026	741	1702	0	3951	6029	870	667	818	6223	2522	1514	0	18034	1983	0	9022	1417	Peptide	0.27272728	0.90909094	0.18181819
14	C12 H10 O6	251.05501	251.05536	0.053277377	251.05502	101467	103415	89925	98577	207464	166934	80251	68380	219646	49154	52213	77287	346733	188465	88430	94170	80087	350711	284321	36004	45546	66072	120158	63537	67888	7232	76823	44778	82953	76422	70878	99259	129293	90138	71645	83927	109769	86467	83530	25329	30545	130107	11176	5903	8446	33303	28466	8885	86257	53139	95351	98506	177731	8529	234852	126911	113159	118382	28766	15866	104144	23435	312313	217506	103125	312223	176050	70899	16449	24291	20106	65095	77049	65315	70831	89251	6028	70685	108534	52213	97461	32272	20607	16566	202919	123769	130213	165270	203455	70325	60964	59725	78790	46145	42052	13604	114194	107045	121026	176543	179435	118797	81024	30475	18272	68657	115740	6207	64329	320542	Phytochemical	0.5	0.8333333	0.0
16	C12 H10 O6	251.05501	251.05533	0.044869147	251.05502	64131	74059	55072	71303	124276	111640	51415	53735	115081	34964	31022	46786	179631	114905	57814	64335	56036	211647	177281	20129	29403	46918	73663	54000	42719	10598	42633	19869	56903	55815	60469	62525	96896	57850	43911	67998	100031	53431	60631	18921	23738	78312	8032	6041	9807	26755	17005	10403	69883	45949	60341	68751	101749	7094	107408	76859	63946	86481	18310	10717	66759	11288	177010	104674	54826	173991	96800	52334	14946	18471	11109	52346	62178	57371	55545	65872	6899	50499	78767	41854	61720	24512	16876	7920	110995	76289	90737	90023	109547	54523	37274	36355	48466	25319	22638	10658	57928	61691	70096	95083	108517	80649	48745	17421	18907	63540	71173	6578	49407	198512	Phytochemical	0.5	0.8333333	0.0
6	C12 H10 O6	251.05501	251.05542	0.05926567	251.05502	25792	32491	20370	26300	73915	27986	9560	11091	81953	19521	21123	10894	113205	31130	12871	14131	13274	90418	82855	15919	22202	23934	19255	12127	4919	3723	8676	5892	11186	9555	11360	13707	22454	11755	25728	10873	19847	11424	18144	10240	16381	30249	3814	2446	4987	11638	11638	3798	12943	9273	29461	29218	48250	3810	71523	78944	32100	17635	8949	12588	15689	7021	122298	71716	26753	83482	29897	21450	7991	5495	12052	8022	12651	9623	8369	11647	2965	9139	18580	4378	15792	11213	8650	4783	80121	31539	17919	37586	37145	16518	5523	11364	14204	18404	15921	5171	24920	26163	54111	113594	110488	23703	13515	10764	8283	13251	68030	2340	8693	129761	Phytochemical	0.5	0.8333333	0.0
20	C12 H10 O6	251.05501	251.05531	0.04594385	251.05502	18766	20585	21815	17269	35648	27243	14750	12582	34222	6221	8901	14339	50114	48008	19103	23585	12054	54534	49739	10334	7499	16014	28751	27612	15468	3356	10884	5242	9751	9729	12137	11313	22247	12108	15403	9506	16671	16517	16129	5664	4236	12924	7072	5505	7623	10281	6699	9371	12661	7539	20328	16148	26976	5425	38599	28995	19704	24499	4036	7085	23725	6337	51721	35109	17856	51072	22984	12273	4645	6951	6675	9740	10897	8567	9463	9732	6863	11873	31310	16397	22529	8956	5462	0	41394	25716	26991	16740	22781	24633	11239	8529	41876	7440	6042	9092	15927	20361	26536	31614	43065	13005	19890	6091	6430	32416	19802	6776	29611	58812	Phytochemical	0.5	0.8333333	0.0
8	C12 H10 O6	251.05501	251.0554	0.069401726	251.05504	103324	125816	73478	110790	297273	137920	38654	39782	327115	72044	74220	52954	498701	134753	49840	70904	142220	322190	363258	61848	87076	103778	79834	50058	24820	12964	45764	29784	45418	37498	44094	53086	75328	40990	114212	41684	172612	53118	137428	41124	62910	108910	10118	5154	12468	47370	51674	8986	51954	37960	102318	101952	189647	7272	325264	275521	132790	60456	37190	51872	52578	35020	505262	346680	109522	356011	120239	82716	26586	22206	32230	32812	39248	32392	53144	46764	7112	44348	88124	33536	65362	37142	24400	18306	311624	125264	84142	252736	154992	64092	40572	57750	58614	80584	65578	11148	107058	99404	251880	433682	361764	190196	52916	43176	23120	60156	256498	5934	32950	517611	Phytochemical	0.5	0.8333333	0.0
10	C12 H10 O6	251.05501	251.05537	0.0638823	251.05502	86439	81805	67551	75522	219582	118145	32593	40113	248275	53104	56583	43237	371232	113313	46720	50531	43377	299540	269984	47503	56269	61661	66254	44329	24751	6526	34571	22530	36976	32553	33748	42409	82658	30486	70179	35237	66344	45367	44508	31814	34997	78838	11433	4069	7937	27071	30965	7885	37444	22933	68493	76155	139803	6997	257451	182117	75715	62175	30600	32742	49628	22293	329552	249651	69661	297141	99118	48751	17379	19227	26247	28117	30146	24104	52971	36801	5064	36053	69165	35979	60248	28001	16081	9907	222187	106073	71405	93624	105600	47885	39565	36951	42811	53907	41507	9250	81841	85397	150735	234621	229162	65356	42031	29760	17002	42960	158914	5819	28489	380162	Phytochemical	0.5	0.8333333	0.0
12	C12 H10 O6	251.05501	251.05537	0.06899337	251.05504	100469	118576	104369	107444	224754	143870	54449	48507	243286	50996	55394	52020	333643	144191	70389	83950	75033	341636	352323	43982	55157	69047	90981	76212	43712	5560	72875	29037	62576	53539	56862	66602	112417	67907	73571	56069	99185	71095	79021	34188	29321	111557	8301	4719	8136	39570	43846	8847	73947	47626	107288	105726	187048	6395	279136	164241	102180	95194	29651	22774	73929	24640	412460	248066	84129	327470	136909	81011	26292	22257	22332	46711	50009	44996	68503	65491	4643	54962	94065	50081	85918	30167	20846	12255	212224	124450	110403	120294	158284	81955	51561	59341	65247	49044	46379	9718	112837	104636	156468	214058	193490	101964	60501	32853	25616	72341	162460	5105	43744	451649	Phytochemical	0.5	0.8333333	0.0
18	C12 H10 O6	251.05501	251.05531	0.03738143	251.05502	41273	39013	37706	31172	65051	59152	26596	27961	64847	14166	17566	26963	105056	66097	37114	29965	26315	114282	93057	17577	12259	39365	44537	26646	23968	6121	26854	14543	32145	26707	32776	32835	49639	32225	18429	30582	53389	30515	31364	11168	11567	45717	7116	5157	8522	20056	15655	9568	34982	23295	37850	39543	57757	5221	63088	46639	34293	54209	8270	7727	41273	9507	108284	58091	29451	94965	55441	32885	5473	7316	10652	28320	26689	27765	22851	29413	6610	24121	52428	21184	44044	16774	10008	8102	65875	46101	56629	48125	61145	79282	25197	22381	32581	18443	19527	7765	33642	37621	36440	57214	54563	33432	28388	12042	11869	33749	36787	6359	27507	94803	Phytochemical	0.5	0.8333333	0.0
12	C11 H10 O5 N2	251.06625	251.06662	0.09433363	251.06627	14231	12762	17178	16896	23543	16905	9052	15562	23497	8075	5297	15905	23145	10640	10702	18930	27175	39882	37647	4167	5969	19103	22305	19898	8767	0	11977	0	12993	11057	8983	10254	27929	14461	11086	11940	25243	16457	35167	6848	14796	23745	554	0	526	7705	9516	659	15261	12617	19566	17260	28314	585	28492	12266	12392	23827	6526	11324	23347	4052	28888	31669	11068	27675	21481	33816	0	3195	4079	6164	9625	6264	12271	11034	294	12881	23859	0	18492	5692	4189	1219	16496	11166	22162	26737	23863	45192	15702	16045	49014	10032	9503	606	12930	17800	16952	11422	13799	20785	14151	5530	0	31864	18947	0	9634	51425	Peptide	0.45454547	0.90909094	0.18181819
4	C11 H10 O5 N2	251.06625	251.0667	0.04856329	251.06625	6371	6292	4391	4831	10300	4503	2955	4188	11106	1810	2313	4032	15086	5319	4399	4915	8084	12295	11663	3163	3723	6329	7269	6096	2295	826	2841	0	3137	4345	3786	3109	7518	3116	3149	3443	6181	5029	10274	2016	3671	7918	0	339	426	2982	2539	417	4736	3062	5920	5008	7149	396	11223	9981	5666	5306	2702	3300	5153	1903	20019	10528	6304	11372	5812	8722	1653	0	0	2477	2722	2428	2371	3286	304	3058	4959	0	3828	1625	2081	961	11421	6431	5064	10194	8986	11803	0	2363	11336	2207	2201	818	4774	6164	9205	12127	11767	5698	3445	3268	0	7058	8366	338	3707	23186	Peptide	0.45454547	0.90909094	0.18181819
8	C11 H10 O5 N2	251.06625	251.06664	0.09200913	251.06627	28870	37161	19891	31224	39819	27185	12863	16237	43356	10401	10004	22152	49279	17092	19346	32451	32629	56886	60918	10707	15038	39440	25786	35850	13491	1115	17110	3379	16599	14229	18045	21961	34733	18672	17343	17027	34180	19289	45045	8769	13573	40197	824	0	301	12036	10950	311	23754	16600	25011	26761	35695	530	48001	22144	22531	26853	10105	14385	25594	5877	69719	54217	22071	52978	31529	40834	3479	4972	6544	17486	17904	8861	18326	17084	0	16111	30151	10135	20444	8010	6870	1754	28263	16938	27818	48218	37922	84006	0	18674	80321	9915	12694	518	26444	27635	24577	35879	26639	30034	20441	11488	0	39007	24608	307	18084	90017	Peptide	0.45454547	0.90909094	0.18181819
10	C11 H10 O5 N2	251.06625	251.0666	0.09212366	251.06627	32655	34434	31352	32445	44773	33175	23600	23511	40158	13839	11551	28351	49752	17027	17722	43016	50197	62646	65119	7571	16931	42287	30765	40580	18767	0	27020	7689	22656	21093	18485	25133	55673	29301	18272	19707	52499	26465	57684	13118	18767	36064	819	0	420	11772	12563	585	26324	17733	31960	37668	46771	995	50333	22775	19562	49918	12355	20083	37617	5761	53310	47419	19110	56102	39053	61545	0	3729	6375	22509	17437	10546	30135	17865	0	21335	38438	13168	35306	9368	10530	3123	31687	18463	42348	52283	43911	73465	10483	23208	70885	14595	13088	708	33271	33649	22713	29720	27015	46237	25144	14208	0	48046	25308	532	23444	86718	Peptide	0.45454547	0.90909094	0.18181819
6	C11 H10 O5 N2	251.06625	251.06667	0.109746106	251.06627	23885	23613	19902	21529	32169	18182	11513	20617	33865	9258	9360	18722	42152	9360	21017	33678	26866	43753	48081	8920	12520	24088	26002	36146	11292	775	11327	3468	19065	17565	19780	20729	31844	21037	11262	16349	28822	19472	37902	5553	11654	23990	0	0	357	11051	8140	399	21349	17084	23717	25847	27983	554	36795	19756	19511	30179	5801	10711	36419	5022	54216	34023	16108	35650	28391	36835	2530	4753	5788	15983	14580	10925	13252	15289	248	11771	23686	0	19898	6393	6138	3629	28327	18670	22890	37775	31129	80797	3576	9247	64959	6866	8359	463	27620	23072	18905	22469	23646	28344	19540	13975	0	42126	16546	0	15139	68724	Peptide	0.45454547	0.90909094	0.18181819
14	C11 H10 O5 N2	251.06625	251.06656	0.07426888	251.06627	8311	14139	9434	11341	16404	15994	7855	11402	8192	3464	4600	11581	13196	6046	10757	14751	19136	23002	15429	0	1999	12908	11773	17284	6914	0	8909	0	6418	8382	9135	12707	25546	10862	2849	8911	21054	8987	24307	2801	5340	13754	0	362	501	2136	0	405	11470	8893	8659	8977	12309	403	7690	4173	6900	19453	0	0	0	1925	10226	10490	7264	14121	14995	24515	0	1925	0	7627	10011	6103	12666	10856	424	11168	15364	0	14209	2922	2225	1300	8982	6888	19659	19684	14264	42707	6714	5254	39551	9549	6892	562	11512	12740	5981	7926	7590	12857	11359	5055	0	21744	6302	457	12065	17270	Peptide	0.45454547	0.90909094	0.18181819
18	C16 H10 O3	251.07027	251.07054	0.055309966	251.07028	2505	3333	2477	2061	3376	1952	1365	2881	1660	0	5981	1622	2301	2243	2111	4664	2480	8626	22958	2866	0	2404	2972	3251	2597	3174	1819	6432	0	1352	0	0	3257	0	5471	0	0	1332	3112	1940	1915	2788	637	0	404	1884	4991	0	1960	0	2669	2774	1907	397	0	2091	2538	2398	2069	2534	3426	2175	0	2117	3099	4830	6523	3778	2276	2233	0	1338	0	0	0	0	0	0	5684	15621	3677	7655	1277	1750	4256	4326	11138	5352	4489	3937	10989	4679	3277	2889	5115	835	2240	2552	2086	3765	2581	0	1327	2791	4256	2937	0	0	4180	2908	Phytochemical	0.1875	0.625	0.0
22	C13 H14 O3 S1	251.07364	251.07396	0.068907045	251.07365	3507	5330	5787	5405	4916	7480	1063	0	2894	6971	5100	0	3540	0	1836	1952	1785	7547	2206	7955	3986	10142	1983	1479	2630	3255	0	7720	1828	1123	0	0	5201	1599	7188	0	4658	0	0	4895	5634	3481	0	0	0	5632	4784	0	1864	0	3653	4006	6103	249	1715	1717	2140	3017	4670	5591	2463	4915	1434	2054	2225	3824	2708	1968	1552	3034	2629	0	0	0	0	1638	421	0	1568	7608	0	3090	6759	3680	3675	2456	3434	4610	4401	3051	30626	23364	2666	7568	14496	0	2727	3502	1657	3594	1788	4001	1878	6684	3940	3148	4154	0	2663	2512	Organosulfur	0.23076923	1.0769231	0.0
18	C13 H14 O3 S1	251.07364	251.07396	0.13485388	251.07367	12486	8890	8262	9078	9145	6442	1084	0	4807	32744	26616	2211	5374	4711	3257	3910	3943	10363	9228	29548	27925	30424	2139	3291	4254	8454	2974	25117	0	1729	0	0	3813	0	30996	0	5176	2261	4592	25400	28738	5316	907	422	0	10241	16105	435	2325	0	10469	9119	7238	637	4761	7430	6012	4641	12117	15742	2887	19872	2981	4347	3060	7502	10065	7604	3809	6721	10678	2232	1360	0	1948	0	291	1559	1590	40206	1337	11731	10127	14769	4995	5234	5212	6450	7457	6531	47800	49592	0	40673	63697	556	4104	9759	5476	3465	4843	8420	1229	13776	12977	3167	5477	392	5243	5270	Organosulfur	0.23076923	1.0769231	0.0
4	C17 H14 S1	251.0889	251.08936	0.6635976	251.08907	0	0	611	0	547	0	397	0	779	0	0	0	0	858	0	756	0	0	0	0	0	0	0	0	0	236	1321	0	0	0	0	0	0	0	0	0	0	403	0	0	0	0	0	0	0	0	0	0	0	0	0	562	505	0	391	468	675	437	1084	828	0	0	480	0	0	0	0	0	0	0	0	0	555	326	45556	563	0	0	0	0	0	0	731	0	0	233	0	0	0	0	0	0	0	0	0	0	0	0	0	1020	762	0	0	0	0	368	1034	0	0	463	Organosulfur	0.0	0.8235294	0.0
8	C13 H14 O5	251.0914	251.09177	0.02929933	251.0914	904406	1041464	329274	951622	1154656	752536	573456	300696	1325036	881582	336912	295250	1504824	320110	572916	814032	869756	1500950	1694058	548598	1123120	886122	675662	620910	187883	369542	576238	278550	431548	381415	309776	430114	977778	373361	1264240	357183	1010690	559498	1001838	417383	1007494	834438	42229	31328	52755	335093	398449	42915	1061194	291167	888066	937200	961290	36284	1679412	1147866	726548	391099	288436	671100	376265	295491	1480154	1375602	281615	1262300	782210	868778	420190	468353	625032	303594	377321	275895	378591	462244	37121	272619	836804	222622	651950	602360	632346	287278	567604	336201	835700	733290	1016978	760962	274115	388665	653680	338304	389739	50148	470480	924700	557718	1531192	758707	1024420	308592	456457	197036	554782	599389	34064	477480	1505826	Phytochemical	0.3846154	1.0769231	0.0
10	C13 H14 O5	251.0914	251.09174	0.017127551	251.0914	800512	749692	663796	663517	1017981	685907	470229	512400	1103001	918202	614016	462394	1307263	534177	492511	667987	1145042	2986288	1355574	1051276	1073317	1437332	528405	471974	351265	567736	475307	524837	639482	551536	477897	629549	1889280	533475	1016867	547411	1724118	443315	1401688	777047	1596998	666298	66864	40503	60288	490002	486452	51846	637669	425844	722901	775728	1683420	45461	1419597	858854	477956	1531956	487426	514098	679516	491512	1089041	1123910	429348	1105650	638001	1289136	684917	750715	854958	442019	484375	473916	548591	594593	42966	411339	1187028	450444	502503	446341	474249	485610	989569	657467	1334528	626521	719665	1023032	549510	644912	1035286	598965	769754	62673	710153	746772	872529	989059	1054878	778576	475008	685682	363593	457373	897407	44047	346933	1340842	Phytochemical	0.3846154	1.0769231	0.0
18	C14 H10 O1 N4	251.09274	251.0926	0.36778617	251.09283	294247	305187	276671	282561	420096	377659	252010	278966	357327	233564	152555	178096	631594	329501	284242	282745	234246	616640	543271	256453	194060	258651	276984	257150	231496	108990	213518	159063	319627	265455	273029	290289	421380	276750	251732	276176	444786	237522	228476	193948	151051	273020	54614	45849	69457	176524	127249	61275	317841	204518	293719	301241	348850	45794	571936	325383	235723	344354	197407	115297	295130	142458	485446	386130	198108	498979	304388	241912	112159	168449	134418	257324	230919	253824	174580	306715	52239	210745	300659	160249	249859	146191	164833	126048	342070	275324	309665	280418	334812	224732	258527	265912	338400	129316	170339	66207	266531	284180	306832	343604	368294	354643	212178	224976	97859	224620	264119	53530	214031	545257	Unclassified	0.071428575	0.71428573	0.2857143
14	C14 H10 O1 N4	251.09274	251.09326	0.36591575	251.09283	785398	802859	712284	862102	1171642	924706	576092	624405	1337115	770533	514681	781154	1712032	751573	611511	659995	592997	1818275	1449156	977842	952039	734296	608136	475784	546404	349418	546235	525190	748482	631006	589068	762303	1050724	650007	1071141	667611	960418	537196	659081	705369	561491	760528	68802	48383	56605	497413	440088	66268	742961	459603	784251	720286	1014224	51673	1707048	946771	638402	852680	613228	430652	657247	438308	1414930	1273631	536914	1332172	829406	539406	380499	563452	522542	553625	612752	619898	509897	665093	47290	674195	657787	512785	559503	436283	511228	468294	979063	678497	736224	701729	888082	651149	779594	744143	719627	480264	637016	79184	805371	819457	897391	1098324	1062733	885214	786954	714120	331284	559713	903661	57862	478347	1452368	Unclassified	0.071428575	0.71428573	0.2857143
16	C14 H10 O1 N4	251.09274	251.09303	0.5345113	251.09286	525940	570344	519030	534777	849350	701993	418111	452314	915800	437575	302564	335919	1173345	592819	500338	456036	446882	1335866	1155828	559700	474743	441390	492497	399375	413177	188949	360448	266134	500816	442229	477196	531731	735560	462919	604552	469995	759277	406246	518428	425570	282822	506017	72651	67803	82157	299447	237549	78149	547377	373876	555264	566021	757752	61856	1029291	658561	458149	601652	360676	230729	473039	253391	947482	807876	340538	938553	612615	463149	193561	319125	286579	439010	460290	446998	372275	512141	67214	361327	482568	321052	363865	265322	312873	246432	676062	471019	492836	526881	631432	415491	460136	506329	479771	279508	382860	85085	521239	587995	601859	646576	711891	678217	345615	395640	167449	430627	572276	72972	363684	1187976	Unclassified	0.071428575	0.71428573	0.2857143
4	C10 H15 O4 N2 Na1	251.10023	251.10074	0.51993835	251.10036	0	0	0	0	0	0	0	0	0	0	0	0	0	740	0	0	0	0	0	0	0	0	0	0	0	0	1872	0	0	0	0	0	0	0	0	0	0	384	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	403	0	443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24879	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1056	0	0	0	0	1190	0	0	0	0	0	0	0	0	0	0	0	308	0	0	0	Peptide	0.4	1.5	0.2
6	C10 H15 O4 N2 Na1	251.10023	251.10065	0.26330903	251.1003	0	0	0	0	1058	0	0	0	822	0	0	0	0	0	1039	0	0	0	0	0	0	640	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	773	0	0	0	0	0	1773	0	0	0	1609	0	0	0	0	0	0	0	24291	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1702	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.5	0.2
14	C12 H14 O4 N2	251.10263	251.10295	-0.007786643	251.10263	52151	54735	57647	51355	41180	34880	52754	57939	28452	29089	28228	48778	20163	19510	47989	83979	88447	49960	48115	20342	26060	80559	43090	77329	55193	9906	57311	18019	46758	37275	49046	56106	65106	63981	40426	42438	71253	52344	110572	43605	44005	45477	0	2704	2374	29460	34369	2325	63063	46645	52975	43936	50569	2487	31410	16747	37117	98366	23117	41548	74011	18324	18488	29505	26330	45946	34678	113055	0	15409	30926	52001	45953	28962	52574	49170	1802	39670	65451	30283	61588	23322	42048	22127	18211	26524	79552	65471	56237	191040	70815	57253	155973	31214	40995	2905	53121	42440	18553	15464	16412	69216	44982	45727	0	94542	28023	2480	67803	38961	Peptide	0.33333334	1.1666666	0.16666667
12	C12 H14 O4 N2	251.10263	251.10297	-0.029182209	251.10263	118119	133668	125488	124712	70258	69218	163424	122937	67603	68400	66367	89835	47308	34447	109493	197763	246726	106809	120477	68204	77270	179604	121377	181823	123875	26550	135511	39854	113694	97367	108000	149515	187004	136260	74027	107443	175719	128172	314266	84953	129186	113267	3047	2494	2431	73571	69404	4272	163922	117981	135428	136481	96733	2451	80319	35539	77228	188337	57760	89367	150805	57991	55093	65951	64342	87691	94469	281218	29929	56536	70773	114863	97172	71550	167716	98864	1913	92798	161542	79545	138413	59831	76146	44912	42966	65151	208553	164480	122078	411725	121375	131158	338988	72674	101966	3196	133762	135281	48944	30999	33805	204811	90066	81779	39802	203302	57112	2788	156774	95358	Peptide	0.33333334	1.1666666	0.16666667
16	C12 H14 O4 N2	251.10263	251.10294	0.026567658	251.10265	22220	20656	21371	16150	17883	12210	22292	21321	10279	8777	8281	23574	11997	9346	17674	39624	42002	22827	24602	6053	6075	31761	22289	34021	22656	1736	19535	9999	19174	20180	18186	21623	37830	24340	6974	14093	32871	18809	42154	12929	12058	21433	2483	2385	3070	12705	9848	2837	29706	22691	23560	19833	22205	3334	11341	4685	16710	40104	7572	15118	30511	3315	9793	14443	12083	18386	18396	45128	0	6181	3058	21310	17516	8954	29063	23957	2180	14937	32039	15172	20104	8574	15462	2300	9108	14869	38934	33435	26530	74778	19529	25763	58800	9979	9253	2975	20847	20768	11166	8097	9745	32655	17340	14858	0	45316	12403	2423	30921	20843	Peptide	0.33333334	1.1666666	0.16666667
0	C12 H14 O4 N2	251.10263	251.10309	-0.13342597	251.1026	14380	14313	15519	11837	22494	9128	8385	22702	21093	8614	6114	12620	25290	10285	12038	5067	19163	30436	23305	8688	19528	18220	12939	17750	9116	4507	4240	5922	21845	10375	16885	17208	34173	16208	15037	20183	28515	9936	24637	9063	8106	27877	2217	1899	1922	8796	5195	1727	21751	10031	13642	14821	26658	1939	19651	16918	11498	23077	7431	5618	11271	4870	31389	17815	21237	22258	28298	22306	5704	5923	4851	14093	21608	14444	6346	16757	1896	9958	14135	7739	8732	4874	6742	2632	15283	14772	15058	23469	24700	14398	11300	9498	32434	7075	5477	2123	14303	15375	13037	16579	15795	19843	7510	11012	6183	29625	18355	1998	11295	42836	Peptide	0.33333334	1.1666666	0.16666667
6	C12 H14 O4 N2	251.10263	251.10301	-0.03001506	251.10263	843056	868466	782438	839866	348886	512801	816447	1094983	338676	285377	292219	667310	299209	238223	675844	1799084	1519875	788129	963453	286329	351678	617020	798716	1571252	588138	80416	758975	225142	1170375	902952	913574	1381822	1570747	1266369	429577	1100682	1474135	741907	2159210	194319	362152	873242	5600	2385	2314	457444	265603	2212	1366854	854552	872556	856584	648256	3314	372637	159528	350825	1501774	164461	278970	1599284	167903	285768	329585	335634	562974	907772	2361783	159758	265477	336571	786695	926496	672341	1237596	892068	1581	552809	597085	189030	560792	205523	180724	119061	250496	387425	931832	1217062	965674	1707438	241293	270302	1303404	212200	238841	4883	855142	767628	200898	195265	237549	1597899	676721	294643	119601	3063330	304477	1830	779641	474313	Peptide	0.33333334	1.1666666	0.16666667
18	C12 H14 O4 N2	251.10263	251.10292	0.030699162	251.10265	5413	2624	5832	7476	4748	5215	6460	7846	3128	0	1917	7099	2959	3548	9002	11513	10699	4908	7631	2236	0	7879	6863	12689	6103	0	6175	2980	10101	6119	7427	6540	15196	6463	0	2750	13502	6308	14540	0	1508	8122	1832	2152	2664	2800	1977	2573	9232	4845	6441	5299	6473	3470	5012	1509	5715	12037	2742	5038	8299	1015	3495	3155	3217	3772	6423	15607	1453	0	0	5869	5020	3881	6189	6458	1927	3960	10432	8563	6654	0	3126	1929	3673	2257	10960	9604	9854	28339	13100	8244	24236	2927	3723	2053	3903	5701	5101	2318	0	9432	9080	2155	1995	12574	3821	1873	9531	4143	Peptide	0.33333334	1.1666666	0.16666667
0	C9 H18 O4 N2 S1	251.106	251.1064	-0.07937904	251.10599	0	0	0	0	0	30756	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1767	0	0	13959	1788	0	1569	0	3650	0	0	0	2331	867	0	0	0	0	0	0	0	0	0	305	0	0	0	0	1429	0	396	0	0	0	0	0	0	0	0	0	0	0	2210	0	279	0	0	0	0	0	0	0	0	0	0	8700	0	512	0	0	0	0	0	0	0	0	51222	25863	0	2265	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1329	Peptide	0.44444445	2.0	0.22222222
2	C9 H18 O4 N2 S1	251.106	251.10619	-0.12355415	251.10597	0	1056	0	1023	317	27652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2766	0	0	0	0	0	0	0	0	585	0	0	0	0	0	0	0	0	0	0	0	0	0	1147	749	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9729	0	0	0	0	0	0	388	0	0	0	78545	41213	0	2349	0	0	827	639	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.44444445	2.0	0.22222222
24	C17 H14 O2	251.10666	251.10692	0.035198454	251.10666	5429	7910	5968	6728	10393	5145	3995	9026	5992	4992	10538	6315	4450	7339	8341	8722	7991	9351	11890	9089	4650	10079	8297	10225	6626	8773	0	10748	6802	6156	4692	8297	7889	6832	8444	6196	6483	6648	7259	5960	6974	10840	2575	0	0	8318	9212	0	5702	5327	4941	5939	8991	0	4236	3750	6761	5913	4993	5659	11564	4052	6253	5443	5639	12367	23721	6880	6242	5186	7696	5865	4290	5605	1975	8174	0	4579	9612	9715	5399	6812	5284	3401	5602	5301	9577	8200	10632	9701	8719	6933	15002	8518	9486	3763	6106	6638	6322	6806	9676	10252	5313	9524	4298	9824	4345	0	7067	5797	Phytochemical	0.11764706	0.8235294	0.0
24	C14 H18 O2 S1	251.11003	251.11028	0.062596425	251.11005	2958	3752	3673	5592	1915	2843	0	0	0	21376	14368	0	2157	1701	2235	0	1570	2888	2015	22691	21601	14640	1271	1518	3439	0	0	20476	0	0	1250	0	2095	1114	15542	1401	1778	3100	1520	5853	8375	1198	0	0	0	5981	6410	0	0	0	3216	3735	0	0	0	0	1318	2682	6529	6625	2607	6363	0	0	1303	1782	1240	2174	0	2547	2826	1171	0	0	0	0	0	0	2138	15398	1545	7481	5457	5517	0	0	2778	0	1484	2450	27731	28343	3150	15201	22073	0	4242	4304	1675	0	0	2052	726	7588	7542	2528	2602	0	2983	1299	Organosulfur	0.14285715	1.2857143	0.0
10	C10 H18 O7	251.11253	251.11281	-0.10492807	251.1125	6060	5268	6260	4156	2728	1707	1084	0	2371	0	4952	0	1750	4376	922	0	0	0	0	0	0	0	0	0	1874	0	0	72114	0	0	0	1023	0	942	3319	1129	0	1456	1193	2750	0	2571	4301	3576	3681	0	0	3860	0	0	6695	4394	2442	4638	0	807	11289	0	76441	0	0	0	6079	1214	35716	18949	23142	1175	0	2213	0	0	0	0	0	0	2023	957	1072	20705	998	8293	944	0	2732	20032	0	1785	1694	0	3873	6501	0	13413	1333	3060	5216	6677	0	0	2621	0	0	0	533668	0	2146	4753	0	0	Unclassified	0.7	1.8	0.0
8	C10 H18 O7	251.11253	251.11287	-0.10558412	251.1125	1404	0	843	1089	0	795	644	0	1186	2673	4035	0	1097	1423	1284	1284	0	1161	0	1688	0	0	1185	1070	645	0	1130	22301	0	0	934	0	0	0	0	0	0	0	0	0	0	0	3055	646	750	0	2021	663	0	1400	1057	1124	750	1378	0	1159	2074	0	1476	0	0	0	0	0	3909	1469	0	998	0	0	3142	0	0	1304	0	789	946	0	0	37369	0	0	0	0	961	5906	0	646	908	1112	0	0	0	5991	0	572	0	1266	0	0	2432	0	633	2051	0	0	0	634	1120	912	Unclassified	0.7	1.8	0.0
6	C10 H18 O7	251.11253	251.1129	-0.27480406	251.11246	1801	1041	1957	1332	462	677	0	0	862	2897	11246	528	1259	901	1233	923	0	1013	0	0	0	0	1210	975	0	0	948	29539	1154	1166	594	0	0	0	787	1262	0	866	0	0	0	0	0	0	512	3235	4183	0	0	909	1126	1226	885	608	1194	920	934	0	0	830	2285	0	866	0	0	659	1070	0	0	0	0	927	0	817	0	702	668	615	0	32679	0	0	0	0	707	16069	0	933	1028	0	0	2680	0	9598	2866	0	1431	1861	0	585	0	1164	0	1999	13623	0	742	0	0	0	Unclassified	0.7	1.8	0.0
6	C11 H14 O3 N4	251.11386	251.11421	-0.08104992	251.11385	3419	3781	4526	3340	2608	1169	2698	3534	1004	2234	1062	2697	1267	1319	4614	13654	5114	2939	4042	2169	1618	6916	6103	13775	3924	0	2389	0	2627	1993	1994	3167	3563	2833	1804	2940	2508	3851	5502	1765	3587	1787	0	0	0	3210	3498	0	4312	3631	2788	4734	2507	0	1261	688	1331	11953	2183	3964	14101	1531	1126	0	1137	2146	1953	7264	0	1682	0	2994	1930	2157	2975	2512	0	2673	4326	0	4511	2034	2734	996	1126	2223	6912	2302	1887	29997	3714	4417	27915	1727	2423	0	4713	5541	1140	880	753	2963	2254	2679	0	6731	899	0	6233	1623	Peptide	0.27272728	1.2727273	0.36363637
12	C12 H19 O4 Na1	251.12538	251.12569	0.5194582	251.1255	0	0	0	0	0	0	13327	0	0	0	0	0	0	19827	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1480	0	0	0	0	0	0	0	0	0	0	1246	0	0	0	0	0	0	0	0	0	0	0	0	1365	0	0	0	0	0	0	1712	0	26744	0	2586	0	0	0	0	0	0	0	0	0	220	0	0	0	0	2713	15198	65626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	436	0	0	Lipid	0.33333334	1.5833334	0.0
10	C12 H19 O4 Na1	251.12538	251.12578	0.752856	251.12556	0	0	0	0	0	0	2548	0	0	1164	0	0	0	5028	0	0	1310	0	0	0	0	0	0	0	0	0	1508	0	0	0	0	0	0	0	0	0	0	0	2449	0	0	0	2540	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1815	0	4776	1475	0	0	0	0	0	0	32973	0	0	0	0	0	0	862	1360	4800	0	1112	0	869	972	0	0	0	0	0	0	784	0	0	0	0	0	0	0	0	0	0	679	0	0	0	Lipid	0.33333334	1.5833334	0.0
16	C13 H18 O3 N2	251.13902	251.1393	-0.07908077	251.13899	11223	11746	10812	13954	17400	8587	7793	14034	13630	7778	2326	9168	10863	8376	7108	21143	18675	13277	9327	9041	9454	18648	11735	19163	11293	2261	9784	6832	10582	14034	11861	16395	21702	13389	10223	15069	23376	8957	25917	11273	12260	9485	751	1189	1190	7584	5579	1038	17551	10800	15052	14916	12167	1108	19244	5323	4963	23852	6734	14578	13874	6362	13363	16356	3757	15269	8763	22171	4940	4527	3733	13546	11935	10601	16978	14330	754	9837	9017	11270	6836	7280	12133	6809	5083	6769	14153	12230	13278	35184	22469	22085	0	7962	14072	1218	16364	9030	9704	8187	5758	20487	8873	11718	0	17748	10597	1196	13606	28317	Peptide	0.23076923	1.3846154	0.15384616
4	C16 H19 O1 Na1	251.14064	251.1411	-0.24642466	251.14058	419388	459872	435583	416323	161881	280021	437299	387950	142396	236135	180443	248248	129034	90416	324522	525564	884929	250229	286209	238095	229081	368830	236279	391540	344431	73091	451543	537973	412197	293041	331307	425100	466076	341403	313009	405389	437952	336852	893592	169586	244581	271246	2377	1020	995	186518	171433	1198	451860	337938	442373	339093	212491	1824	199144	72971	144568	458208	64205	158072	452120	114162	156297	132647	117419	202033	215734	949819	86142	161269	185624	280610	316300	353045	754796	350567	582	260220	338870	614080	286825	103062	135839	119649	127438	147034	382879	261344	273282	716297	3713239	2311872	585167	290734	261011	3554	406883	435839	127708	94189	111900	477801	246307	236569	93045	396972	111487	1482	369372	179560	Phytochemical	0.0625	1.1875	0.0
6	C10 H22 O3 N2 S1	251.1424	251.14227	-0.15637448	251.14235	0	920	803	1182	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3827	0	0	4048	46295	41417	0	0	0	0	0	698	0	0	0	0	0	0	0	0	0	0	487	0	Peptide	0.3	2.2	0.2
4	C10 H22 O3 N2 S1	251.1424	251.1426	-0.5969459	251.14224	0	623	778	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1037	0	1020	0	0	0	0	0	0	0	0	0	0	0	0	842	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2218	0	0	1537	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1227	0	0	0	0	0	0	0	14616	0	0	20425	3955	4082	2214	0	0	0	634	901	0	0	0	0	0	0	0	578	0	0	2839	0	Peptide	0.3	2.2	0.2
0	C10 H22 O3 N2 S1	251.1424	251.14261	-0.75733733	251.1422	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	85730	14048	0	9745	639	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	606	0	0	0	0	0	403	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6143	11476	6694	7351	3192	4033	14399	10209	4569	0	0	0	0	0	0	0	0	0	0	0	0	8625	6693	0	0	0	0	0	14196	889	11131	0	Peptide	0.3	2.2	0.2
18	C18 H18 O1	251.14304	251.14334	0.026552396	251.14305	6379	14460	4883	9835	7239	7857	9672	11135	4899	4875	3451	11792	3982	5478	10263	14324	20213	5910	6174	5817	4875	7932	9999	6418	8031	9235	14287	3268	7851	9492	8307	10840	13209	6893	2740	11557	15006	7433	20217	5326	7808	6393	420	0	0	3409	3623	0	16117	9752	10763	6504	4456	0	4440	5061	5237	15794	4586	8780	9544	4467	4209	2499	5731	6542	7643	17581	6507	9024	10766	7297	9916	11139	17112	12841	0	6397	11893	6848	12171	4700	8008	2648	7346	6043	14733	6948	5208	19461	9036	4976	12866	3861	5870	0	10348	9950	6791	6007	11585	11498	9038	8733	3067	11710	7118	0	15708	3718	Phytochemical	0.055555556	1.0	0.0
24	C18 H18 O1	251.14304	251.1433	0.001017578	251.14304	18053	16434	15082	14672	22269	12877	9211	20128	12171	8703	14812	13872	9311	12281	15618	26233	20128	17154	21764	16707	14638	15552	13452	23404	15885	17702	9200	13570	20231	19780	17275	19738	19139	17809	14073	22226	15264	14594	18044	12035	18354	21171	4702	0	0	13301	15561	0	23924	18603	13050	14114	16645	0	12479	7550	11122	22442	13241	12255	18902	9793	10471	7599	7431	13390	21298	22915	12504	14053	19073	15772	16399	16312	12709	21891	0	15628	16921	11324	13721	9681	10185	12153	15110	12019	17018	14753	17875	23038	16780	12630	24531	11294	15294	2117	17840	16282	17087	8654	11534	20267	16034	18519	9003	20048	11098	2400	18163	7812	Phytochemical	0.055555556	1.0	0.0
20	C18 H18 O1	251.14304	251.14333	0.03177164	251.14305	14902	13198	12698	9063	10353	8390	9532	15984	6817	5918	7276	11755	6883	7899	13960	19099	24969	9001	14176	10731	8602	8741	8536	19336	11016	14561	17124	7229	15763	16089	14355	17223	18631	14907	6903	16439	14353	13627	21640	5220	11806	11822	1089	0	0	7365	9079	485	17872	14626	12513	17631	7567	387	6039	8361	10894	17878	9131	8332	15597	4784	10446	7306	6479	11163	12632	24865	8756	12997	20629	13797	15823	14451	22626	21277	0	10119	18346	7816	14572	6457	9524	0	10795	7885	25334	12600	12413	23462	12378	11246	26334	7469	8145	665	13525	11767	8027	11946	13615	20151	16394	14436	4749	17446	9281	0	14559	7288	Phytochemical	0.055555556	1.0	0.0
22	C18 H18 O1	251.14304	251.14333	-0.003788167	251.14304	17217	14667	11238	14535	13473	9673	12318	21053	11896	10946	12140	13716	11853	12128	20159	31116	23628	9198	12937	12487	13289	15015	14496	21836	17674	18683	14417	9267	18497	22118	18602	23906	24331	22714	13287	21339	24841	15249	22328	9966	18477	14327	0	0	515	10684	11608	0	24204	20596	15645	13265	14828	474	8052	9630	9316	24904	9036	14218	20327	8130	12604	9166	9924	15592	15908	24516	18114	17928	16420	16388	18712	19565	23643	23474	0	15283	19206	8620	16178	9458	13392	10158	12111	12858	23029	17468	18848	28254	23053	15907	23821	11062	13692	0	14055	13635	16116	9530	10126	24389	14192	17624	6770	21317	12247	0	19968	13073	Phytochemical	0.055555556	1.0	0.0
10	C11 H22 O6	251.14891	251.1492	-0.12934312	251.14888	1774	0	1393	1225	2674	1179	860	1138	951	0	0	0	1035	2269	1265	1625	1103	1145	0	0	0	0	0	0	0	0	2253	4283	0	0	988	0	0	1186	0	1013	0	975	1512	0	3025	0	3843	1736	1615	0	2887	2069	0	1355	1439	1395	1130	2265	1679	1074	1630	0	2862	1903	0	1748	0	0	5526	4854	3330	0	0	0	3798	0	1187	1464	0	0	1623	0	0	9525	0	0	0	0	1247	6702	1270	1607	1113	0	0	0	0	0	0	1654	0	0	1727	0	779	1094	0	0	41558	0	0	2106	819	0	Lipid	0.54545456	2.0	0.0
8	C11 H22 O6	251.14891	251.14932	-0.14413755	251.14888	4918	4259	4090	3893	1115	0	733	0	0	20377	29917	0	0	0	903	0	0	0	0	1104	4596	1907	1060	1119	0	702	1489	17957	0	1111	0	0	0	0	3272	0	0	0	0	13201	6230	1100	2781	547	852	10571	13109	710	0	0	4808	4595	687	978	0	0	0	0	49143	1917	0	49365	1954	1155	0	2204	1777	0	3414	1551	4960	0	1027	0	0	0	1058	0	0	26028	0	1309	0	0	0	0	0	1344	0	0	0	0	0	16813	5277	507	4641	5852	958	0	0	0	0	2975	444655	0	0	722	0	0	Lipid	0.54545456	2.0	0.0
6	C11 H22 O6	251.14891	251.14969	0.17849343	251.14896	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1120	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2836	0	0	2000	772	0	0	0	0	0	2354	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1441	0	0	0	0	0	0	0	0	0	0	0	0	44199	0	0	0	0	0	Lipid	0.54545456	2.0	0.0
8	C13 H23 O3 Na1	251.16176	251.1622	-0.58772916	251.16162	0	0	0	0	0	0	0	0	0	0	0	0	1806	0	0	0	0	1750	1756	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21554	2705	0	0	0	1093	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23076923	1.7692307	0.0
0	C12 H23 O2 N2 Na1	251.173	251.17339	0.47558755	251.17311	0	0	0	0	0	0	0	0	0	0	1628	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21019	0	0	0	0	0	0	0	0	2699	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16479	0	0	0	0	0	0	0	0	0	0	29380	11054	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.16666667	1.9166666	0.16666667
12	C14 H22 O2 N2	251.1754	251.1757	-0.047919177	251.1754	3771	4251	5760	5940	2240	1334	2799	4449	1075	3741	2258	4074	0	1101	2519	7938	8623	0	1615	5148	5405	7543	4988	5401	7766	2639	3284	0	3275	3278	2503	3890	4848	4060	6517	3416	6638	2236	7327	5221	5040	1400	0	0	0	12015	16105	0	3875	2476	5098	6168	7531	0	0	0	1634	5876	0	0	0	0	0	0	1385	2338	1136	4736	0	3691	3101	3389	2919	2230	3252	4176	0	3116	7240	0	2521	6322	1806	3094	0	985	23294	3239	1234	15143	7423	3426	16836	4711	6854	0	5435	4079	0	0	0	5042	3418	2604	0	5387	1497	0	9400	0	Peptide	0.14285715	1.5714285	0.14285715
16	C14 H22 O2 N2	251.1754	251.17567	-0.054186817	251.17538	1737	0	1736	2053	0	0	1900	0	0	3495	3147	2425	0	0	1432	2747	3086	0	0	0	0	2504	0	2920	1737	4053	2886	3159	3682	1759	2976	0	2201	2740	4255	2531	0	1535	5390	5734	9696	1596	0	0	0	15074	31572	0	2166	1625	2104	1536	0	0	0	0	0	2685	0	3946	0	2333	0	0	0	0	1783	3587	2570	1654	7271	1412	2513	1527	3301	3422	0	0	0	0	0	11825	1608	2459	0	1091	2418	2120	1116	0	0	2316	0	2993	3247	0	2112	2170	0	0	0	2465	0	2392	10711	0	0	0	1739	0	Peptide	0.14285715	1.5714285	0.14285715
6	C14 H22 O2 N2	251.1754	251.17577	-0.09099684	251.17538	26920	27910	28506	24605	6938	8557	34315	42419	5145	30318	15529	17698	3636	9907	16791	62741	57059	12408	11510	29093	27991	20220	12502	22920	21675	7746	32201	14471	52578	42440	49801	78012	50296	66365	35146	49741	45653	16857	69086	14456	7944	10130	0	0	0	12278	7544	0	65217	37220	31019	24552	9342	0	6042	1910	6427	54796	0	1400	43970	6946	3817	4561	7689	8091	14143	80926	5417	14396	15005	36876	57181	65697	71720	65103	0	18950	14370	15531	12008	1439	1792	11193	3667	6596	25286	15889	19711	57361	24594	5570	60203	12208	22673	0	28797	23921	3489	2046	3538	47825	16469	14272	0	43491	3598	0	21251	5388	Peptide	0.14285715	1.5714285	0.14285715
14	C14 H22 O2 N2	251.1754	251.17567	-0.11368991	251.17537	9048	13921	10390	13133	0	0	8816	6542	0	5460	5745	6246	0	0	3901	13560	14292	0	2215	2770	2003	45630	5757	17379	10302	0	6980	0	4815	5332	4085	6969	10896	6068	6195	4395	7028	4388	12906	13344	15657	3379	0	0	0	22780	47689	0	8139	7649	10795	13565	2215	0	0	0	2891	21193	6807	11117	0	6280	0	0	1676	1621	2354	14240	0	2135	5051	6324	4799	2745	5789	4540	0	5155	9140	14646	5960	21175	9708	11545	0	2579	15000	5388	2318	159431	41084	36630	97492	14078	24936	0	10759	10834	0	0	0	7470	5329	7816	0	37075	0	0	14001	0	Peptide	0.14285715	1.5714285	0.14285715
8	C14 H22 O2 N2	251.1754	251.17577	-0.0382089	251.1754	9879	12856	6917	10601	3427	2339	4160	10113	1531	19582	4968	5046	0	1889	5290	9950	9966	3496	4836	15284	15188	9246	4733	7896	6230	7510	6247	5572	9222	8298	8963	12365	14706	11789	31145	10642	14188	3267	8601	12287	5853	2669	0	0	0	5859	4655	0	13781	7593	5548	11230	3085	0	1445	993	1558	12974	0	0	13603	3414	1134	1942	1505	2121	2728	14997	5091	10654	11231	12029	11590	9221	10978	11638	0	4650	5809	4513	4256	927	0	5553	1133	0	8231	4342	5082	18498	20369	0	17453	8572	15319	0	9445	7422	973	0	0	10301	4206	9185	0	10393	0	0	5768	1958	Peptide	0.14285715	1.5714285	0.14285715
24	C19 H22	251.17943	251.17969	-0.020683656	251.17943	13703	17058	12409	12787	9278	8053	13502	15499	8995	5037	5551	13590	7439	6603	15407	26814	38047	6999	11742	4456	5609	7015	17071	17117	15271	6698	9719	5557	12028	18530	12345	16139	21422	10161	5179	16715	17205	16448	31504	7592	6436	16459	0	0	0	6742	5904	0	15273	17001	9431	13414	9677	0	12589	12994	9724	21777	6135	9683	21602	3826	8421	8510	7636	7978	13820	34244	6300	7339	11328	12588	12889	17556	26842	18155	0	12819	28451	13876	20429	8846	7242	2190	17972	12372	25347	12410	13806	44781	12728	9137	24603	6452	7890	0	10580	14445	24042	14261	12001	29644	14947	12904	6062	14968	14464	0	19138	7379	Phytochemical	0.0	1.1578947	0.0
26	C19 H22	251.17943	251.17972	0.013405271	251.17943	12043	11342	8160	8023	7899	5822	8700	18269	8945	3948	6393	12719	4697	9035	15104	19652	19400	0	15332	4962	4700	9723	7876	14655	12436	9993	9979	9322	9047	18025	14118	12733	15674	9782	4809	16567	11714	14493	22872	5858	9609	15709	0	0	0	6189	6864	0	11635	12879	10144	11350	8964	0	11272	7453	9129	19385	6346	7535	13015	3237	7310	8052	4578	7942	10682	24640	6907	4039	5524	7239	10571	17227	17016	17214	0	10596	22250	16844	13998	8109	8249	7994	18841	11573	28612	8534	8489	29342	11033	8995	17321	10743	8810	0	9376	11168	21661	18254	13353	20038	9385	7661	0	10754	11313	0	14977	2954	Phytochemical	0.0	1.1578947	0.0
22	C19 H22	251.17943	251.17969	-0.054042153	251.17941	5742	7710	5852	5800	3089	3200	6105	8850	6669	0	3263	5557	2895	5244	8860	11848	27412	2859	4905	1734	4708	4938	5432	6417	9387	5555	10994	2945	5990	6678	5491	10424	10246	6597	2634	9933	7216	8622	25333	2255	3471	3850	0	0	0	4546	4249	0	7112	8793	3937	5838	4878	0	4262	2395	5037	10581	4347	4937	8636	1099	5059	3558	5589	1820	6846	26935	2547	3093	2469	2743	4501	9348	20787	9319	0	6399	13479	6392	10814	2777	6012	1371	11812	6524	17348	5236	4702	23671	5092	5873	13645	3497	3357	0	5332	6730	11001	8961	10574	22890	7011	6854	1764	9224	6213	0	12239	1601	Phytochemical	0.0	1.1578947	0.0
12	C14 H27 S1 Na1	251.18039	251.18076	0.059131548	251.1804	1427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1293	0	0	0	0	0	0	0	96602	0	0	0	0	0	1196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1332	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.9285715	0.0
16	C12 H26 O5	251.1853	251.1856	-0.082676604	251.18527	3528	6958	9677	5782	8288	4682	0	0	0	0	1604	0	59142	12993	0	0	0	3167	0	0	0	0	0	0	0	0	0	3597	0	0	1182	0	0	0	0	0	0	0	0	0	0	2689	7224	1009	1215	0	0	1468	0	0	5093	7915	10804	3515	0	3536	76075	0	0	0	0	0	85506	0	187989	687579	72951	1760	0	0	0	0	0	0	0	0	953	0	0	5765	0	0	0	0	35203	74812	0	2116	1641	0	0	0	0	0	0	1042	8370	2981	5346	7953	67339	0	0	0	0	0	28327	1102	0	0	Lipid	0.41666666	2.1666667	0.0
8	C16 H26 O2	251.20056	251.20091	-0.07854684	251.20053	1490	1677	0	1097	0	197918	0	0	0	0	0	0	0	0	0	0	0	2515	16795	0	0	0	0	0	0	563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6115	513	458	581	0	0	431	0	0	956	2771	697	629	0	0	0	0	0	0	0	0	0	0	0	0	5631	0	0	0	0	0	0	0	0	0	594	0	0	0	0	0	0	0	0	0	0	6053	3622	0	0	0	0	0	0	519	1217	1664	0	0	0	0	0	0	0	0	0	423	0	0	Lipid	0.125	1.625	0.0
20	C16 H26 O2	251.20056	251.20082	-0.039670523	251.20055	23077	29223	26369	24112	13280	19137	148602	17006	5789	9565	8695	5611	5436	84303	10860	24285	34444	5949	7121	6120	6191	10296	7562	11259	15051	34130	165351	27922	16525	19521	8934	22553	13321	14398	5088	20907	11759	13001	38131	3770	10752	23417	10009	2845	2315	7289	16207	3289	24556	29472	26628	28018	10136	9906	5192	13101	14827	18894	3835	27043	24221	3380	24086	4733	56293	25793	30786	35074	6097	7363	13999	10373	14431	25307	35237	25169	2525	5579	14531	162491	9496	12176	114295	138707	13515	13129	23094	70545	12741	83135	104681	56041	29098	18169	20291	4988	20091	22437	12811	13604	22954	14161	9467	10739	11276	17680	14139	2733	17138	26108	Lipid	0.125	1.625	0.0
26	C16 H26 O2	251.20056	251.20084	-0.006684735	251.20056	109428	117039	112405	103660	110684	100431	472486	124149	82474	60931	150699	63719	62469	239555	161492	116505	115134	71497	91631	88466	88968	68827	55881	75096	123490	139387	450664	342946	133606	110177	92515	110646	99340	95844	84108	146006	79787	173564	120957	78969	98224	125147	59835	50159	63489	90474	94565	40852	143869	95109	117692	106402	103451	79365	74940	72600	102707	126773	90267	105879	128283	79573	99972	64813	190650	129838	199644	117566	100589	71768	81985	59654	76774	101826	89595	120516	70990	69821	73383	457960	55666	186693	171355	174010	78290	104534	152880	86496	95719	123655	424760	306105	105525	102854	89403	50981	116934	138462	154369	62469	89091	125783	67510	137556	226705	80908	116898	44980	131069	102217	Lipid	0.125	1.625	0.0
18	C16 H26 O2	251.20056	251.20079	-0.033102658	251.20055	5014	7608	6787	3024	4663	3230	31151	3608	2039	0	0	2539	0	16004	2599	9194	10923	0	2757	0	0	0	1280	2544	4821	5792	27132	6001	6430	4594	5154	6345	4183	0	0	7938	1983	3159	6809	0	0	5769	2314	1392	1176	1282	1884	1848	4112	7106	5999	5936	2809	3164	0	2410	4848	6234	0	5244	8292	0	2086	0	10282	5857	10013	12742	0	0	0	2221	2387	9214	10188	5848	1630	3442	4441	68410	2782	4360	28297	33470	3744	4426	8780	16815	2567	29186	54073	19471	8861	4556	5718	1617	6642	4904	1891	3597	5839	7034	4271	0	0	7842	4517	993	5547	3216	Lipid	0.125	1.625	0.0
24	C17 H30 O1	251.23694	251.23717	0.013890142	251.23694	3288	3210	2897	2870	0	2695	72052	1328	0	2350	3342	0	0	58412	0	0	2022	0	0	2087	0	0	0	0	0	4171	74708	5607	0	0	0	0	2911	0	0	1321	0	1172	2865	0	4437	3609	2800	0	0	2207	4577	0	3013	4344	3017	1949	0	0	0	1318	3239	0	0	11166	4581	1706	9893	0	40483	2109	1687	3534	1782	1429	3110	0	0	1708	0	4582	0	0	0	9670	0	3523	9095	17744	0	0	0	1995	1251	4580	7828	3571	1759	0	3679	1901	2299	2695	3892	0	0	0	0	2946	0	0	0	0	0	5641	Lipid	0.05882353	1.7647059	0.0
26	C17 H30 O1	251.23694	251.23717	-0.001161417	251.23694	8777	8925	11217	7802	2362	6302	112845	0	2974	2975	16918	5324	0	88512	6696	0	5955	0	3888	0	0	3473	5202	0	0	25731	120050	30893	0	5690	0	4719	5663	3992	3111	0	2658	5268	5078	3535	10653	7147	7431	0	0	5038	12156	0	4484	5857	8632	7341	2307	0	0	10032	15388	3283	4346	16477	12564	6994	14020	2960	109470	2792	7963	9449	10972	4684	9240	2760	0	0	0	6299	11733	4994	3951	33346	5217	16316	16744	36742	0	0	9991	4132	4094	6921	17276	12979	0	10025	6748	0	9089	10620	12117	2765	6587	0	4258	10404	7575	2925	0	0	6609	5993	Lipid	0.05882353	1.7647059	0.0
12	C11 H9 O6 N1	252.05026	252.0506	0.024689458	252.05026	17199	26096	16043	21677	36544	37928	13413	15822	36525	2357	5722	15027	44227	22661	14694	31625	26859	62494	60360	1854	3951	19827	20148	24951	8452	0	12112	0	16586	11711	12588	17426	38474	15157	3564	12775	37431	12923	32477	1383	0	27601	749	481	651	4683	0	619	16332	11417	17838	19510	30811	724	41332	15849	17374	31132	0	0	25461	0	64740	45725	14083	52860	30237	25737	0	1299	0	10281	13093	10257	25511	15701	426	13229	21075	0	11156	1749	1722	0	23174	17731	23906	31229	33212	41639	0	6050	31390	2892	2974	756	17695	20920	23105	26037	23754	32441	17512	5122	0	33403	19672	468	10275	86696	Phytochemical	0.54545456	0.8181818	0.09090909
10	C11 H9 O6 N1	252.05026	252.0506	0.013665921	252.05026	14567	16907	17933	11791	29194	19313	5587	8720	32729	3495	3311	13228	44323	11359	8371	16249	17762	50511	43346	3575	4577	13281	14297	11591	6274	0	6345	0	8173	7539	8327	11416	21804	8696	7255	6508	25833	8040	17144	1871	3029	21521	741	0	466	4051	2581	493	10628	5890	19126	15372	25271	507	25356	15591	11745	16505	2429	2626	13636	0	47844	35077	13299	42690	23710	17153	0	1652	0	6830	9251	5348	12856	9629	0	9135	13268	4792	10391	2419	1279	0	20845	10624	13032	26437	26427	21382	3723	9018	16456	3858	2790	570	14022	12698	14202	19529	16715	20349	9667	3467	0	17267	14453	0	6269	68020	Phytochemical	0.54545456	0.8181818	0.09090909
14	C11 H9 O6 N1	252.05026	252.05057	0.07841538	252.05028	12009	17142	16528	16139	21617	22984	13348	18279	24696	0	3459	16798	29793	15899	14783	21109	21037	43966	33881	2261	4370	13509	18238	21757	10573	0	8392	0	12859	9964	19036	19025	36776	18240	3719	16339	28724	14675	25261	1419	0	24592	0	635	794	1522	0	982	14935	10400	13536	15146	26486	816	20622	11587	14215	28443	0	0	29860	0	33319	32818	12862	36651	25282	23749	0	1576	0	17039	14596	8777	16786	15320	447	17110	16653	0	11980	2134	0	0	15685	10590	20390	35731	32094	40277	4557	3818	28907	0	2014	1092	15646	12614	13029	13475	13274	26538	15325	0	0	28213	13471	644	11778	44076	Phytochemical	0.54545456	0.8181818	0.09090909
16	C11 H9 O6 N1	252.05026	252.05058	0.055967186	252.05028	5915	6922	10710	7461	12755	15184	7101	9223	11568	2114	1990	9156	13833	10236	8177	14048	13476	33967	21987	0	0	6743	10980	7264	5134	0	5221	1679	6527	5371	7699	5166	13913	6953	1586	5365	18134	7335	13043	0	0	10493	1114	715	1038	2107	1919	929	10191	8105	5637	6000	14025	524	11108	7663	6563	11284	0	1720	10422	0	16903	13747	8262	19368	18005	12666	0	0	0	5764	5320	3833	9280	7698	500	6186	11030	0	8727	0	0	0	9763	8037	10330	18861	16605	0	0	0	0	1706	0	843	9761	5803	6589	7142	10124	15678	8295	0	0	14452	8389	768	7774	29495	Phytochemical	0.54545456	0.8181818	0.09090909
6	C11 H9 O6 N1	252.05026	252.05066	0.07621045	252.05028	2302	4221	2644	4070	10994	3588	1262	1594	11213	0	1557	2408	19519	3884	2032	4074	3038	13309	11156	0	1151	3779	4337	3242	967	0	1348	0	1928	1686	2128	2104	6117	2469	2006	1941	5281	2494	2252	0	840	5269	0	0	410	0	0	392	3070	2471	3818	4164	7623	374	9602	9278	4914	3566	1141	1256	4518	0	20741	11734	3761	10941	7228	2009	0	0	0	1060	1538	1713	2343	1784	0	1420	2423	0	1763	846	608	0	9807	4200	2744	8700	8275	5441	0	1058	5991	619	0	331	3575	3245	5966	9610	8753	5049	2268	2109	0	4751	6023	0	821	25886	Phytochemical	0.54545456	0.8181818	0.09090909
8	C11 H9 O6 N1	252.05026	252.05066	0.061422113	252.05028	9571	11011	9558	10738	23048	11541	3139	4694	23439	1509	1943	5517	33822	9883	6091	5621	7893	26010	35086	1559	1734	8179	7951	6455	2208	0	2971	0	4121	2298	3906	5164	9091	3451	4071	2594	9170	5223	8936	0	2611	11734	0	280	363	2251	1774	463	5280	3494	9254	11066	16628	416	26288	12554	11440	6278	1294	2198	5604	0	43707	25121	8380	27265	11875	10473	0	0	0	2918	2881	2359	4933	4209	377	4094	7191	0	5723	1207	1226	0	18324	7454	9237	18011	17636	10948	0	0	13776	2543	0	0	9600	7214	13870	18395	17917	10124	6122	3347	0	9022	11811	324	2727	46157	Phytochemical	0.54545456	0.8181818	0.09090909
14	C12 H13 O3 N1 S1	252.0689	252.06924	0.17679784	252.06894	3879	5645	6382	3682	3145	1781	2114	2405	0	8805	7700	1295	0	0	1740	0	3331	2826	4170	7749	12763	16032	0	0	2119	8744	2537	0	1835	2442	1076	0	4265	2376	10290	1487	4354	1384	3943	14153	28465	1947	0	0	0	8919	11842	0	4030	1392	3281	3713	1499	0	0	0	2081	7324	0	7763	0	8974	2174	0	1282	3338	988	7129	0	7468	11994	1161	1492	0	1549	1753	0	0	2830	0	2507	7086	6311	12400	1326	0	5588	3877	4195	9211	20496	16933	7218	16030	23032	0	5949	3058	1603	0	1537	2754	0	2684	0	5049	2480	0	5163	2786	Organosulfur	0.25	1.0833334	0.083333336
16	C12 H13 O3 N1 S1	252.0689	252.06914	0.0585217	252.06891	3586	2860	3415	3081	4722	0	1991	1653	1340	6099	7306	0	0	1068	0	0	0	3021	2162	6562	6563	13477	0	0	1383	4287	1030	2352	0	0	1938	0	2585	2023	6337	0	0	0	1822	14396	23410	0	0	0	0	8047	9106	0	0	1180	2469	5116	2991	0	0	0	0	4906	2770	10566	0	9138	0	0	0	4164	0	3025	2542	3879	5264	0	0	0	0	0	0	0	2996	14823	0	6923	4057	11952	0	1294	2256	3064	1664	0	13843	17415	0	13924	18622	0	2451	0	2059	0	0	1595	2003	3246	0	0	2339	0	2297	2577	Organosulfur	0.25	1.0833334	0.083333336
2	C9 H9 O4 N5	252.07272	252.07315	-0.022712454	252.07272	4631	6423	3910	5250	33687	73856	7600	13693	4255	0	1512	20330	3655	9739	10758	4026	11769	12970	7426	0	330	2654	11819	7424	1080	0	0	1089	24623	4592	21937	20231	48546	36729	860	14669	9869	12292	4367	0	0	4641	0	0	0	1422	0	0	17339	0	5493	4698	37620	0	1468	782	9664	9642	0	0	4090	0	11470	4205	21440	52591	27093	33212	0	901	1273	12093	25369	8772	761	13824	0	7589	6511	0	11274	0	0	0	1288	9050	9264	57278	16798	10034	12266	0	6800	0	0	0	4826	5968	5767	721	769	8830	12522	0	0	6619	1193	0	12480	5524	Peptide	0.44444445	1.0	0.5555556
4	C16 H13 N1 S1	252.08415	252.0848	0.77171403	252.08434	0	0	0	0	0	404	0	0	556	0	0	0	0	0	0	1049	0	0	0	0	0	0	0	0	0	0	1029	0	0	0	0	0	0	0	0	0	0	451	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	731	0	0	738	0	0	400	342	0	0	0	0	0	0	0	0	0	0	38433	0	0	0	0	0	0	0	0	0	0	334	0	0	0	0	0	0	0	0	0	0	0	0	718	513	0	514	0	0	0	0	478	0	0	286	Organosulfur	0.0	0.8125	0.0625
2	C12 H13 O5 N1	252.08665	252.0871	0.036037836	252.08665	30410	28307	19213	27585	64947	33752	12632	20981	59987	19318	25899	19036	96777	26041	17423	11782	23342	67267	57337	19660	35463	35424	21618	18900	9167	7428	7654	13126	24626	15289	24633	20277	41128	19918	32597	18820	27269	12898	22112	22006	31451	37490	2677	2853	4498	16295	18633	3500	22230	13053	25282	26599	47112	3478	62053	42335	27364	28362	12472	19390	15739	11179	105955	68393	22907	79252	38368	26770	14818	13648	16864	24167	25434	16760	8616	23730	2986	14666	17577	8282	15265	13586	9901	8228	34811	20618	15944	50838	45220	39996	14007	19523	34503	19817	11138	6758	28610	27106	33016	56769	46196	24102	21172	15481	13566	30630	32968	3361	14311	121691	Phytochemical	0.41666666	1.0833334	0.083333336
12	C12 H13 O5 N1	252.08665	252.08699	-0.016573315	252.08664	387667	472947	440888	442794	289553	236383	428018	608719	247388	200536	193529	420639	301530	119985	321690	700846	729753	456373	488171	158751	194677	455879	377372	639040	219347	42782	368135	130850	512398	613772	575933	711833	789525	683287	236297	608936	737915	388494	979868	167141	314902	348193	6908	6354	6610	169069	150044	5813	677802	627648	437815	421253	334411	6241	314394	151896	189246	616855	120827	171471	593107	114051	306635	284970	160298	399131	304120	861993	82236	109389	141843	636849	716138	749451	680895	716850	3906	398654	366844	161536	380636	107790	114459	85937	168874	178415	378032	401855	399436	814141	224124	238030	747402	150832	221682	8616	427291	468363	162774	166453	161881	780271	409291	185805	49562	605241	180911	5681	338698	469333	Phytochemical	0.41666666	1.0833334	0.083333336
4	C12 H13 O5 N1	252.08665	252.08708	-0.01805678	252.08664	59695	68114	60393	62630	86798	44013	27417	49362	106893	46692	44661	40901	128855	33000	32971	54218	87844	129719	115102	55555	76996	79137	41610	52116	22858	23053	28780	19235	39810	48210	49699	39771	81909	35375	73284	43510	79248	35795	101791	59131	94224	67384	5274	3656	5312	42048	62142	4903	44578	46254	59020	49859	76720	5148	118529	102284	54515	54559	36802	57576	51744	40951	155790	107721	42515	99571	54516	80332	45726	37923	59886	36869	37715	38970	37433	45005	2727	30001	40112	23207	38335	31650	30410	22837	93749	55519	37777	83567	72494	73998	28715	35249	76594	38704	43523	10218	57246	62797	85614	109250	101601	81299	40034	53142	38398	54105	85478	4843	28579	184196	Phytochemical	0.41666666	1.0833334	0.083333336
14	C12 H13 O5 N1	252.08665	252.08698	0.007491486	252.08665	252714	286084	261295	297914	202225	173084	273470	461818	133457	113817	104157	275454	206360	82606	236134	468025	487394	274826	259161	74461	92575	341225	240696	447730	186094	23417	236159	72753	298935	380357	375227	487194	557148	449324	126634	407646	511412	249120	583915	117521	147026	209490	6543	5865	5352	104446	65969	5556	437850	386723	272577	234837	214977	5333	173028	87728	128477	520528	61262	79096	362632	62832	170674	166353	108795	260802	179903	521157	33194	44895	84348	422324	436818	419958	404753	415712	4090	290382	266313	117571	259623	47306	76083	61708	100933	106056	269845	307068	303898	792302	145745	142789	669183	109718	122544	7776	286317	268111	96135	102312	102223	487277	275720	109745	33049	478692	92927	5205	239433	232377	Phytochemical	0.41666666	1.0833334	0.083333336
18	C12 H13 O5 N1	252.08665	252.08694	0.026623055	252.08665	21197	20944	24542	22095	27555	20585	24218	26928	20453	11776	10231	22579	20706	17382	23037	31381	32058	35530	29772	5079	6987	24233	29356	32654	18785	2165	21349	9700	26177	22573	23927	21652	35449	24089	11344	19793	37042	22088	36353	11362	10970	18686	4398	5303	6829	13976	8593	5104	28768	16158	20869	18610	24604	3973	17573	13457	16440	32332	9522	10699	32244	5136	22938	21368	15766	25201	23836	27691	2822	2559	4965	24826	18043	24864	15124	21582	4283	22137	26008	16442	23640	9002	9252	4977	15512	20808	29858	30459	27013	34286	21437	17114	44861	10509	8775	6285	15907	22219	15788	13706	17250	30403	18803	14077	6056	33097	14830	5514	21649	28989	Phytochemical	0.41666666	1.0833334	0.083333336
6	C12 H13 O5 N1	252.08665	252.08704	-0.007946506	252.08664	164296	183008	147293	160041	199318	116837	92597	140120	244195	141752	118189	112700	272604	79965	105252	199540	179897	321531	312337	132931	185408	216401	123786	163350	65281	48679	98239	61972	124430	110410	129860	141748	232476	138895	174557	113193	213777	113139	238235	114971	208284	157596	5783	3038	4013	110609	148066	3481	155460	106635	175000	171470	196995	4397	289332	175399	121105	187421	88756	141052	175867	93187	308760	218613	91397	241746	160697	240236	99215	103985	166942	109717	109121	100266	92899	122254	2951	84531	118903	62347	94463	73216	73652	51018	161524	127010	139489	209985	207036	291031	75918	118199	268607	118998	141921	4658	162713	144986	126747	179429	188356	224735	106435	132803	59510	193280	164915	3072	84761	428337	Phytochemical	0.41666666	1.0833334	0.083333336
16	C12 H13 O5 N1	252.08665	252.08696	0.020784557	252.08665	61931	65391	71930	68125	73798	68546	59794	72799	54771	31197	29784	58054	80619	45824	66403	100727	89894	110254	89752	18874	29132	74327	70082	99303	52874	7456	56997	26622	69428	62448	75480	84416	123268	75175	43528	71883	114047	55560	128658	36437	49790	64045	6191	5632	7283	31455	27958	5583	109535	74223	76480	69121	79278	5956	57248	37555	41752	105618	24497	33864	83301	24385	70428	55827	44865	84509	71274	104827	11175	13208	21829	78188	73784	70916	68373	73878	5593	52595	84080	47827	57847	24209	24981	19176	53548	46213	86621	83629	78314	147312	54202	60450	144744	31313	40068	6854	77984	63507	40035	42645	44641	96917	53325	36043	8147	104504	44729	5462	69589	110026	Phytochemical	0.41666666	1.0833334	0.083333336
10	C13 H9 O1 N5	252.08798	252.08865	0.1953346	252.08804	387502	357832	334307	340934	364438	274320	277088	394226	336700	240253	193243	295856	513231	153393	289185	619898	439239	570396	572812	220147	304351	429548	284217	418931	217503	66381	361449	140914	395149	374781	340881	435514	666331	420568	277116	342143	609439	268024	573563	240025	360177	321135	10036	5640	6253	182624	155842	6013	455656	329397	362573	365408	376927	8250	481347	218788	175573	539026	187589	220412	585837	166091	394909	409551	155822	469827	291998	544874	146340	146099	198363	396996	377859	346673	403211	388269	5301	268023	305993	171150	265389	123559	149535	106616	273156	229443	324785	375451	374719	548378	196466	250989	597937	199449	258587	7167	349412	342790	209582	251637	246542	555472	277994	245557	74019	455530	237550	6790	225972	613506	Unclassified	0.07692308	0.6923077	0.3846154
6	C11 H13 O4 N3	252.09789	252.09828	0.007363055	252.09789	20353	22084	18286	22916	19978	11914	16431	23112	16514	11023	9817	15675	19741	7731	19189	37922	31745	27604	29797	12633	12735	34058	19740	32988	14021	1534	16078	9089	17502	16695	17317	17118	25774	17878	18081	16462	26689	19186	50210	10735	21191	17242	0	0	0	13436	14562	0	23859	17080	22057	21569	19638	0	22171	9204	14412	28432	12889	22308	31405	9099	21027	14475	9796	19494	18228	40139	3734	6352	8977	16352	14538	10515	14639	15655	0	11570	19335	10633	16967	9156	13186	7151	18560	16457	24154	24401	17608	73024	16108	21939	59312	12788	12848	0	19336	19717	11707	12074	15341	25838	15770	19360	0	33377	16230	0	18473	29840	Peptide	0.36363637	1.1818181	0.27272728
10	C11 H13 O4 N3	252.09789	252.09822	-0.06770912	252.09787	15577	13376	9872	10335	9830	5339	10805	11278	8645	5045	3138	9285	9492	4475	9081	25788	28170	13892	16481	3625	4612	18973	10324	15737	9530	1216	10202	3857	12822	8020	11128	13617	36677	10450	4635	7967	35622	8859	41209	3941	6900	10886	0	0	340	5705	4247	0	16570	9746	12075	14213	10646	0	9442	4256	6692	25780	4841	11247	17837	5037	6084	9208	4823	11342	7146	39630	0	1726	2507	10668	7929	5293	17708	11711	0	7118	11003	5744	12615	5979	6638	1483	8585	6667	16664	11936	14986	30176	6592	10103	36086	5680	5516	0	14087	10257	4052	5809	3317	32021	8569	8746	0	22224	7040	0	13784	11169	Peptide	0.36363637	1.1818181	0.27272728
2	C11 H13 O4 N3	252.09789	252.09833	0.021460336	252.09789	16497	17565	14752	16381	23077	0	11028	18466	24610	7302	11776	15744	27856	7303	13411	4544	50272	29377	24944	9841	14313	27695	18377	16527	5273	1591	3280	5498	26392	11390	36170	17408	23508	15044	13970	13460	17777	14050	63406	11926	16146	15320	250	321	0	7162	10255	0	16384	13672	17728	20391	20285	315	22903	13454	15155	20429	7138	14180	5614	5958	38846	22291	14873	28614	20829	75242	2614	5632	4518	16257	36912	11970	4410	15459	0	8979	16041	7383	13089	6498	7303	4522	20880	14042	15452	52860	21066	55054	9565	12076	43896	11649	2914	437	15308	15690	15664	17048	15015	14784	15167	10874	6307	27394	14367	0	13270	43056	Peptide	0.36363637	1.1818181	0.27272728
12	C11 H13 O4 N3	252.09789	252.09818	-0.07447471	252.09787	3400	4222	3361	6086	2640	4055	4635	7443	2229	0	0	3178	3600	1675	5330	7560	8344	4966	5370	2188	3441	6909	3943	9083	5796	0	2763	0	5325	2771	4136	7325	6992	6550	2152	3955	9414	6618	12633	0	0	4407	0	0	251	2057	0	0	5560	4202	3070	4846	4273	0	2163	926	1848	7883	0	0	0	1860	2468	3244	2523	5009	3604	12630	0	0	0	3866	2178	2605	6335	3641	0	3309	7308	0	6008	2493	4235	0	3263	2730	6725	6581	3981	16464	3035	4502	22421	0	2883	0	5176	5301	2082	2017	2630	6203	3013	0	0	6864	2327	0	5705	3781	Peptide	0.36363637	1.1818181	0.27272728
0	C9 H17 O7 N1	252.10777	252.10823	0.04308063	252.10779	2464	2640	2143	2346	13647	25854	0	22527	3084	0	0	4442	23926	23942	0	0	1993	26935	14870	0	10251	5929	6242	2071	3103	0	0	0	57906	0	31849	5126	79099	48705	3675	6489	8025	1761	1781	1195	0	6139	0	0	0	2672	0	0	3834	0	0	2405	20787	0	5003	1320	0	9409	0	0	0	0	21463	5171	0	0	42632	1742	0	1950	0	49583	51080	7369	0	13489	0	6196	1994	0	1420	0	0	0	1406	0	1367	33645	22569	0	0	0	3642	0	0	0	2692	0	1025	930	0	2684	5052	0	0	14797	1363	0	1533	51472	A-Sugar	0.7777778	1.8888888	0.11111111
10	C9 H17 O7 N1	252.10777	252.10805	-0.071609266	252.10776	2129	1705	1856	1132	0	1589	945	0	907	0	2589	1476	2019	0	1817	0	1487	1465	1106	0	0	0	2439	2477	0	0	886	6793	1475	1297	2616	1931	2398	0	0	1730	4532	1137	0	0	0	1960	630	744	696	0	0	694	1828	1544	1544	1389	1449	908	1362	0	1231	1826	0	0	0	0	1685	0	1038	0	0	0	0	0	0	1031	1662	1731	0	1520	0	1712	0	87711	989	0	0	0	1008	1004	911	1119	1311	0	0	0	1835	10042	0	0	2510	0	0	0	0	1629	1343	0	0	0	0	836	0	0	A-Sugar	0.7777778	1.8888888	0.11111111
4	C10 H13 O3 N5	252.10912	252.10948	-0.085493304	252.1091	4510	6147	4472	4738	19174	9544	2331	3612	7464	0	0	3361	26261	35293	3457	8362	7876	15225	14294	0	0	5437	5246	12166	4202	0	1924	0	1589	0	3542	2454	3944	2959	0	2447	2640	3693	7654	0	0	4462	0	364	0	2991	0	0	3272	3440	5251	3695	9470	343	6951	14212	4657	5525	0	878	8724	0	33715	5083	3552	17338	6847	7831	0	0	0	1917	2513	2199	4439	1910	0	2134	4820	0	4454	0	0	313	15960	12098	4995	8699	4717	11196	0	1150	10069	0	0	488	3800	5326	10956	15055	22412	0	2618	0	0	5891	16467	378	6357	26479	Peptide	0.3	1.3	0.5
2	C15 H13 O1 N3	252.11314	252.11362	0.032970082	252.11314	0	0	0	0	0	0	1037	0	0	0	0	0	0	539	0	595	1214	1796	0	0	0	0	0	0	474	0	0	0	668	0	0	0	0	978	0	0	0	0	664	0	0	0	0	0	0	0	0	0	1147	0	0	0	2657	0	0	0	1247	0	0	0	0	0	0	0	0	397	28092	701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1618	0	3697	2629	0	0	0	0	0	0	0	809	870	0	0	0	0	0	498	0	596	0	0	0	0	Unclassified	0.06666667	0.8666667	0.2
18	C13 H17 O4 N1	252.12303	252.12332	-0.015981345	252.12303	35027	41473	37694	32083	43371	44987	35294	45511	26273	17261	22704	21325	36452	55383	37196	58485	46673	54889	48013	20492	20458	44977	27573	53069	36258	9681	34003	23484	49228	38101	40497	44816	66844	48129	23668	41372	64385	24107	58946	26905	29584	42170	7216	5042	7212	22551	24894	6535	50815	31304	41718	38106	44747	6023	24204	24733	23907	61686	21418	28503	50023	15403	30007	21990	25792	46157	54319	52318	10771	7261	17206	39234	32100	30801	35256	44469	5411	24607	38008	40737	27555	18135	20139	17532	24813	27248	40202	46013	43057	61246	51759	44215	59651	24290	31424	7276	38308	41727	39380	20164	22757	64850	27491	36801	14800	47482	25320	5424	34884	43808	Phytochemical	0.30769232	1.3076923	0.07692308
16	C13 H17 O4 N1	252.12303	252.12334	-0.002083136	252.12303	87921	100334	103122	86699	86334	84748	85737	98263	63847	75174	56870	62319	72336	44511	75393	135457	127696	123262	103232	85378	79180	124192	76547	125134	73673	35787	70495	57272	105007	93587	101010	134753	162364	113247	102118	111136	165576	66037	139765	85092	91602	80624	8078	7001	8359	67134	60323	6751	133655	87434	93291	92327	88119	6903	53016	34610	49586	149641	64797	68681	113228	44980	89337	56027	37867	85483	82497	132510	35587	56114	59223	85539	100572	82299	102103	97875	5265	65323	76705	86171	46762	50919	73045	54610	49581	42169	86747	100705	83097	150896	113037	127765	176564	73858	106356	8475	104285	97194	74446	48458	46070	148246	65352	91942	36673	136483	56003	6248	74880	111636	Phytochemical	0.30769232	1.3076923	0.07692308
8	C10 H21 O6 N1	252.14417	252.14452	-0.13364345	252.14413	5842	6866	5835	5462	5989	5939	5838	1653	7592	3013	7361	7164	3318	11346	2649	1070	2099	3748	1859	2637	2196	3260	2231	1576	2148	3024	6677	7389	1496	2589	4681	4179	2250	4509	3305	2427	3287	5508	4661	5697	5901	3902	11912	13387	7430	5231	6886	12230	0	2531	5666	4379	7018	8898	3717	4161	9548	2570	27929	10727	0	15674	5864	6202	29772	6108	7852	3725	5297	4925	11770	4070	6114	1600	1144	3842	7470	5355	5091	6311	3815	7963	7145	4694	5759	11802	4305	5611	4409	3303	0	0	0	8113	2460	11188	4789	4652	21723	8656	5902	1709	4538	3756	388299	3024	6283	13264	5750	5758	Lipid	0.6	2.1	0.1
0	C10 H21 O6 N1	252.14417	252.14468	0.0680428	252.14418	40212	38831	40388	34339	43694	4478017	8808	593795	64737	7947	8742	122466	11552	145444	427165	10273	8836	73188	18188	3046	9134	14357	30671	16958	153194	23748	2688	0	124799	24271	352028	26470	385064	57552	8866	26861	89753	229051	12809	4869	2056	1983914	4471	5154	2165	29749	0	5774	65012	18229	28012	36772	62551	4787	40532	13504	24845	122216	3935	2586	21195	3805	38221	16878	18088	33476	108436	6173	48066	17224	5328	106606	172245	41755	0	45473	2237	362725	4579	0	3718	2679	2410	2421	5292	8057	10222	25547	49129	13334	0	0	23007	20140	4384	5781	35117	38394	42701	2435	2913	29591	520698	3068	2539	115780	22089	3553	10913	26299	Lipid	0.6	2.1	0.1
2	C10 H21 O6 N1	252.14417	252.14458	-0.07285579	252.14415	4455	5645	2820	3178	5357	0	0	1802	5312	1867	0	2958	4076	7082	2748	2414	2971	5039	4268	1052	1311	2872	1714	3232	1386	1252	2309	0	0	1541	2617	1859	2845	2732	0	2289	2204	3378	3597	2073	1646	14401	3290	4262	2542	1478	1644	3587	1942	1426	4982	5376	8335	2994	5899	3506	12765	2994	4093	2935	1959	3869	3432	8900	25134	12602	35107	3933	1643	1881	1787	3326	3055	2644	0	3073	2402	3093	3549	0	3004	3617	2948	1257	9412	7284	3788	5141	5654	3505	0	0	3499	0	1259	4383	3424	3109	5279	4860	3998	2209	4638	1277	10056	3278	4618	4616	2382	4538	Lipid	0.6	2.1	0.1
2	C11 H17 O2 N5	252.14551	252.14592	-0.18546033	252.14546	26678	26967	23812	19702	0	0	35832	18801	0	3033	5767	26277	0	0	48141	9136	76988	1303	2103	7433	9689	2818	40507	12255	12568	0	16950	0	445276	80332	97586	53989	26827	72279	11792	60183	20006	49629	97950	7612	13373	0	0	0	0	4017	4956	0	235165	14242	19870	22768	0	0	0	0	1648	15623	719	2119	8265	3928	0	0	0	5912	1198	82608	1873	1344	2131	8068	30674	12736	160109	89908	0	31127	6828	0	13873	0	11986	7165	561	2037	4144	6584	1756	10985	0	0	10085	0	1289	0	21518	27809	0	0	0	25410	27016	23675	1471	41976	0	0	12843	0	Peptide	0.18181819	1.5454545	0.45454547
2	C8 H18 O1 N7 Na1	252.15433	252.15477	0.4988947	252.15445	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	380	0	0	0	0	0	0	0	0	0	0	0	11083	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32426	0	0	0	0	0	0	0	0	0	0	15765	1768	0	3713	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.125	2.25	0.875
18	C14 H21 O3 N1	252.15942	252.1597	-0.008461764	252.15942	78066	61611	64887	57529	42909	37462	62124	59326	19610	163475	113302	44929	20152	32363	42245	89675	135115	50177	46131	195788	172950	98804	32139	57320	41667	26201	56986	118760	72374	71915	61411	84451	107141	89609	160620	88837	96751	35350	135939	69481	90722	43653	5166	2851	2544	71902	84305	3123	79000	55593	68159	70302	44503	3232	25129	18169	25395	98975	48248	79124	84720	46137	22070	22413	20158	37173	46077	130551	20984	32134	38508	60648	63291	77011	112517	73232	2701	32655	42422	95900	29579	68265	61130	58016	23110	28608	64134	51126	49560	111218	132597	123264	78940	90955	132197	3696	68863	69763	26506	18881	21353	105051	46798	84458	46191	76008	26382	3139	53768	29754	Lipid	0.21428572	1.5	0.071428575
16	C14 H21 O3 N1	252.15942	252.15973	-0.006059567	252.15942	75578	73127	75911	72429	35463	36766	83269	77939	23331	85469	73560	66955	22829	43761	45174	99866	236607	41193	37229	106879	104874	78107	34968	56076	52294	66356	75167	66397	105193	86822	105426	170437	212806	147372	93356	159993	195896	43848	260845	64075	105829	40560	4495	3300	3492	59960	100257	4220	188376	78769	73836	77207	37361	4580	22423	20489	21465	88625	32517	75492	88148	40104	24538	24658	23984	36926	47227	244830	54368	54324	68999	71617	90498	87132	184124	91679	3347	44733	44753	71299	25611	53836	60285	61694	24532	29901	68866	43546	38294	187432	86857	75438	69753	64740	98945	3576	74891	85528	31095	22796	27186	174748	50298	60014	45469	68912	33349	3433	56541	30167	Lipid	0.21428572	1.5	0.071428575
24	C14 H21 O3 N1	252.15942	252.15968	-0.003925987	252.15942	7885	7524	9514	7414	2211	2531	3540	13261	2911	1499	2200	4679	3006	3573	13004	49401	6533	2050	2432	4477	1408	31591	15543	83676	18636	7330	4410	4933	11915	7554	4445	4938	2032	2183	0	7170	3580	5790	5841	1596	2270	5029	4998	3160	8764	23802	4570	4891	5512	5052	5946	6355	1969	10235	2217	2477	3215	32425	2636	2302	42154	1836	2265	1436	4171	1500	2360	4436	2212	0	0	3202	2445	5577	4102	5371	10428	2995	14293	12973	21380	10175	11843	28235	2461	8085	74424	8842	2498	29651	19975	14645	62367	2403	10352	5084	9967	6155	935	1070	0	5230	3981	5827	8120	27740	2463	4405	24753	0	Lipid	0.21428572	1.5	0.071428575
20	C14 H21 O3 N1	252.15942	252.1597	0.01106983	252.15942	40810	45682	48665	43846	32808	33405	40087	46791	18177	81028	52406	30204	14878	31061	25711	73891	57545	36039	36898	98474	111426	70287	27890	60407	38631	3987	33753	57829	52812	50683	40338	54635	82464	57917	86021	59162	87706	24304	63782	35176	49696	35038	3777	4294	3116	45991	50808	3236	55573	39263	51794	45904	36510	4703	13755	11652	17978	70457	40906	51153	63912	25482	13106	12522	14400	25338	34115	69917	7649	7655	8879	33147	43240	49041	58336	55728	3355	28509	22778	63224	16392	40343	39110	26732	14279	18875	56590	41088	33962	98316	100934	88540	65937	64635	66307	3830	46536	53779	21030	11782	15022	87104	33456	59402	40350	66967	21724	2590	38003	25885	Lipid	0.21428572	1.5	0.071428575
22	C14 H21 O3 N1	252.15942	252.15968	0.037619278	252.15942	12735	15844	11995	9466	5759	11615	5681	16433	3880	8154	7142	9278	3817	16763	7368	40075	12948	16183	5939	5212	5307	19522	7279	45423	16710	1798	5634	9665	19863	13737	13531	19077	26886	26396	3720	19455	33661	8933	11577	3868	6984	10774	2418	5044	3040	11032	17774	3020	22591	14008	13807	8648	8460	3251	3559	1453	3150	32025	6889	10331	39873	2567	1694	4680	4577	6830	9617	15624	0	1828	0	16081	15422	11100	12867	12121	3572	7553	29839	18368	21501	12189	11640	4932	3159	5334	24834	18288	15709	51958	29048	16321	22411	14685	10283	3396	11179	9677	6187	3430	3824	23870	7057	8453	10543	25320	3390	3894	21186	6837	Lipid	0.21428572	1.5	0.071428575
14	C14 H21 O3 N1	252.15942	252.15974	-0.03507148	252.15941	70065	63278	72513	76112	31997	42418	49693	53210	18124	91575	62212	41635	23158	28857	29788	76329	92202	28971	29533	118151	118984	82910	25946	51849	40594	117983	53542	58554	46617	45821	51727	68910	58162	59306	79515	67530	61845	26024	90489	98141	129914	29898	4483	2610	2260	76908	125165	3482	77051	45283	68937	51721	35999	3614	19531	15306	24336	88307	31679	77272	46011	50356	20086	15684	16385	30407	28284	89308	76357	97682	135975	56259	57083	47995	69296	60446	2787	34485	45733	66251	29972	67736	63111	82998	19820	26322	178267	37709	42907	180411	116801	120521	84001	70481	119814	3122	71588	57841	22910	19379	24585	50666	32126	76467	39381	67503	29669	2777	52013	21607	Lipid	0.21428572	1.5	0.071428575
12	C14 H21 O3 N1	252.15942	252.15976	-0.03872633	252.15941	45544	57679	51479	55473	24011	18327	34467	35054	14745	65436	41908	25575	13418	16854	18322	87885	49671	17356	19272	98855	85707	83259	17817	65177	25430	71038	46292	36294	34691	44277	31162	51645	39214	46330	63953	48333	51661	22209	62799	71096	101855	25564	3040	3126	2847	63007	91572	3380	59837	43283	55630	58962	21318	3882	13716	10007	13521	73046	19760	49625	49849	41431	17363	12210	9580	22479	18953	59080	40781	70348	90092	36617	41481	44742	74605	40500	2061	19368	25238	32507	17007	40051	35247	48073	14434	15257	39906	22084	21525	119183	95364	79763	73964	46742	114655	2945	60858	55799	13164	10144	13191	59060	20330	58202	25213	42352	16906	2899	31144	15670	Lipid	0.21428572	1.5	0.071428575
0	C11 H25 O3 N1 S1	252.1628	252.16315	0.18057251	252.16284	0	0	2130	0	0	0	0	0	0	0	1454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53743	0	0	0	0	1862	0	0	0	1987	0	0	0	0	1310	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	787	0	0	0	0	0	0	0	0	0	0	0	0	0	0	106156	0	0	0	0	0	0	0	0	0	0	97942	22288	0	4157	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.27272728	2.2727273	0.09090909
2	C11 H25 O3 N1 S1	252.1628	252.16316	0.31966826	252.16287	1280	888	865	845	0	0	0	0	0	0	1857	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16164	0	0	0	0	581	0	0	0	844	0	0	0	0	0	0	0	0	0	0	0	0	0	0	972	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45988	0	0	0	0	0	0	0	0	0	0	33739	8298	0	6997	0	0	840	671	0	0	0	0	592	0	0	0	0	0	0	0	Organosulfur	0.27272728	2.2727273	0.09090909
6	C13 H21 O2 N3	252.17065	252.17102	-0.07500044	252.17064	39757	36052	62252	28310	1658	5058	67160	159161	673	14890	9300	60648	808	599	63913	304679	81324	3807	4304	32241	34809	44525	73821	406077	177826	1790	39431	9960	60733	58176	72961	54040	63396	45633	12326	58353	65670	63424	111333	11780	6808	21861	0	0	0	95783	30937	0	94137	77073	70456	27536	10381	0	778	0	15254	328597	0	5464	230227	5726	0	1838	18572	2066	23872	53058	2530	30356	6131	60356	28485	30969	19982	44578	0	65275	141801	48987	32880	11047	19604	12209	566	14884	159337	32668	23981	323525	336457	144930	1146264	17110	36112	0	82584	95175	996	0	0	61583	60095	66192	24149	457824	727	0	228662	2649	Peptide	0.15384616	1.6153846	0.23076923
20	C13 H21 O2 N3	252.17065	252.17082	-0.083740436	252.17064	0	0	0	0	0	2148	1509	0	0	0	0	0	0	0	0	0	0	3150	32213	0	0	0	0	0	0	0	2419	0	0	0	0	0	2335	0	0	0	0	0	1755	0	0	2594	0	0	0	0	0	0	1574	0	0	0	0	0	0	0	1025	0	0	0	0	0	0	0	2977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2745	0	9365	14227	1453	0	0	0	0	0	0	0	0	0	0	0	2266	0	0	0	0	0	0	0	0	Peptide	0.15384616	1.6153846	0.23076923
10	C13 H21 O2 N3	252.17065	252.17097	-0.04877391	252.17064	6968	8135	7200	4799	1045	4355	4044	4535	942	3511	3512	6427	1087	0	3633	10293	11806	2091	4508	7193	4332	13145	4650	14243	4048	0	5667	0	14704	8395	5527	12326	10442	13051	4697	14199	11470	4060	12095	4575	2669	13685	0	0	0	5643	15414	0	13424	4396	5028	6764	1914	0	0	0	3816	14987	0	0	12493	1068	1385	980	2089	2316	12723	14772	0	2111	1242	6064	11541	11862	10059	11347	0	4321	7489	0	6420	2455	0	3826	0	0	9564	3267	7808	45704	8313	0	29443	7628	4539	0	6447	4973	0	0	0	10905	6078	4713	0	10730	0	0	8808	2028	Peptide	0.15384616	1.6153846	0.23076923
8	C13 H21 O2 N3	252.17065	252.171	-0.053753477	252.17064	107101	112933	79985	115876	5026	3465	6800	14445	10354	6109	4582	7715	4240	1321	7167	25420	13699	7597	18558	6343	4972	382866	7953	28687	17024	1367	32831	2976	8233	7905	7767	23785	43119	8127	19854	8040	20475	4630	18332	8096	9380	4709	0	0	0	35366	25735	0	15747	7987	75082	111183	5132	0	4201	2229	5194	141669	0	1067	26246	2757	4374	4115	2695	10413	3991	78515	0	4490	2958	7623	6543	4925	51881	17556	0	6091	20310	11953	53093	9602	1004	4624	4376	4142	101561	13591	8358	1091623	73463	9150	114606	26272	35111	0	46573	31741	4262	3510	2143	34774	8123	7432	0	30751	2804	0	21499	13216	Peptide	0.15384616	1.6153846	0.23076923
12	C13 H21 O2 N3	252.17065	252.17091	-0.029199215	252.17064	5074	5477	5380	4698	0	1456	4337	6075	0	1749	0	6374	0	0	3429	6546	4278	0	0	1831	2559	8058	4892	11573	7136	0	4498	0	6931	2439	6501	9915	5364	10507	4459	8196	5425	4427	17206	3048	0	8189	0	0	0	4648	3679	0	11313	4127	3399	4399	1723	0	0	0	1844	17411	0	0	0	0	0	0	3232	0	7928	17139	0	0	0	2373	12032	4930	5211	10866	0	5545	8095	0	4231	1392	0	3007	0	0	15994	2789	6052	51600	15017	2429	59289	3740	2456	0	5564	4584	0	0	0	2296	7291	0	0	14495	0	0	10866	0	Peptide	0.15384616	1.6153846	0.23076923
18	C11 H25 O5 N1	252.18054	252.181	0.022219438	252.18056	0	1581	0	0	0	0	0	0	0	0	0	0	5630	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22166	0	0	0	0	0	2315	0	41550	43860	13318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6852	16919	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9283	0	0	0	4243	0	0	0	0	0	Lipid	0.45454547	2.2727273	0.09090909
10	C11 H25 O5 N1	252.18054	252.18068	-0.05254597	252.18054	0	0	0	0	0	0	0	1134	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1287	1956	0	0	0	0	0	0	0	2054	0	0	527	0	0	0	0	0	1529	0	0	0	0	402	0	0	0	0	0	0	0	0	0	9020	0	0	0	0	0	3082	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29607	0	0	0	0	0	0	Lipid	0.45454547	2.2727273	0.09090909
14	C15 H25 O2 N1	252.1958	252.19615	0.022825247	252.19582	8312	5673	6324	11270	4922	5322	4045	11793	1459	9635	4811	4726	2069	2567	5750	19498	12698	3748	7452	14229	24260	0	6015	18498	7490	15218	8688	0	9663	9810	10438	11784	13551	12125	17992	11319	17026	7182	16281	13261	5928	5011	0	0	0	7073	9314	0	13495	8403	4206	7321	5851	0	0	2413	1936	15589	0	0	0	2099	1659	2273	3320	2572	6339	20633	0	14498	23319	8991	8677	9414	11675	11353	0	6892	9753	0	6666	0	0	13289	3002	0	12623	5008	6043	41376	22347	0	30916	6010	9950	0	9351	6283	2619	0	2424	15303	7364	3262	0	14377	1471	0	7241	2136	Lipid	0.13333334	1.6666666	0.06666667
10	C15 H25 O2 N1	252.1958	252.19614	-0.03469761	252.1958	25905	26947	19613	20453	7964	8944	18536	25115	5186	50386	20669	16377	4109	4167	13416	33124	22738	18301	28797	47764	48833	24596	12724	30989	17158	15168	18802	22920	18632	17389	22753	26704	44119	20990	56898	21971	31597	14064	27045	40577	8012	12385	0	0	0	17708	22289	0	24351	17652	27545	26612	14413	0	5540	2316	4863	37282	0	1358	30558	10647	6271	5338	7881	8760	11021	25169	9857	20700	25962	21286	21459	14940	20545	19219	0	12874	19416	21569	14731	2111	807	25042	2736	4418	37400	14511	14242	115597	85155	3952	62025	30064	54960	0	26213	22428	6792	2979	3489	26613	10958	19442	0	28793	3908	0	18333	9293	Lipid	0.13333334	1.6666666	0.06666667
22	C15 H25 O2 N1	252.1958	252.19608	0.029596524	252.19582	5682	5772	3742	3955	4838	2745	2472	2403	0	6525	3905	2027	0	0	1645	8392	7830	0	0	4750	7859	4339	3029	3699	3443	13266	4321	5052	6155	5005	2956	0	3049	2942	3793	4581	2413	2601	7931	2678	11224	3430	0	0	0	18153	41654	0	1752	4680	4564	4805	1304	733	1514	0	1742	6417	1194	9263	6444	2750	0	0	1779	1599	5513	10836	8580	8612	12947	3360	2049	3432	5667	5137	748	1251	0	10141	1784	16874	6464	5732	2704	1790	7556	3302	1176	22394	14477	15000	6892	9712	10633	0	3977	7209	0	0	0	4628	1256	5146	14152	6015	3324	0	5134	0	Lipid	0.13333334	1.6666666	0.06666667
8	C15 H25 O2 N1	252.1958	252.19617	-0.039486043	252.1958	63013	63922	55555	63478	32397	18614	32437	97704	11747	68525	35633	117293	12258	11299	29412	366421	35053	33503	53316	84946	72602	62731	26874	59909	49188	22282	51758	31245	54822	64918	98321	47987	56040	43395	93684	44639	63830	31267	39431	48326	9764	20570	0	0	0	44461	35264	0	65128	72057	57054	64020	61473	0	23168	8853	11792	396262	0	0	300235	18752	15852	16740	11891	30571	23040	50289	15034	64279	30453	74305	46351	67417	42879	60124	0	76641	40146	30888	24198	2271	1382	36579	6769	13410	68546	26981	44387	129200	112911	8902	111380	39976	90263	0	63677	55662	15167	8010	8792	47232	82342	28746	12489	75713	23324	0	38710	22212	Lipid	0.13333334	1.6666666	0.06666667
12	C15 H25 O2 N1	252.1958	252.19615	-0.051056564	252.19579	7811	12454	9358	11198	10629	3545	6140	11076	2371	20194	8432	5996	5224	4994	8662	15863	15205	7072	8723	19535	17668	8190	3245	12266	5475	13652	3914	9635	12194	8623	10278	8865	54220	8542	32448	7788	62261	8326	24577	14193	6457	4472	0	0	0	6052	8838	0	11267	8079	11699	8469	7622	0	2832	2486	2812	13660	0	0	0	5375	2161	2158	2090	7540	5826	17907	0	15700	18974	11449	8757	8626	7321	8903	0	6342	8479	0	4511	0	0	17374	1365	1403	12461	5019	5812	37366	39608	0	20982	16759	24855	0	10686	9575	3553	3518	4229	45146	4207	5619	0	12707	5328	0	6416	4274	Lipid	0.13333334	1.6666666	0.06666667
28	C15 H25 O2 N1	252.1958	252.19608	-0.11012063	252.19577	0	0	1132	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18489	0	2699	0	0	0	0	0	0	0	0	0	0	0	0	2030	0	0	0	0	0	0	0	0	2573	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1150	0	0	0	0	0	0	0	0	0	0	3515	0	48689	2599	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1135	0	0	2344	0	Lipid	0.13333334	1.6666666	0.06666667
20	C15 H25 O2 N1	252.1958	252.19608	-0.004296094	252.1958	4176	4812	9071	9306	3600	2491	4631	6732	0	8779	6195	3577	0	2219	2488	15976	9415	2280	3142	5202	11761	8538	2570	8857	5470	16256	7740	6034	5995	6132	5746	7279	4450	4878	5114	5965	4656	2529	12803	6027	13435	3778	775	0	0	19479	36693	796	9547	3904	7842	6826	2175	439	0	0	2013	10964	2797	13237	7746	1722	0	0	2273	3586	2467	15791	10255	6610	19122	6916	4902	4060	11637	5519	2561	2252	5635	18833	2304	9089	5774	0	0	2766	5993	4991	2637	38380	22088	17730	12954	8336	15102	0	7698	7699	0	1543	3926	3668	2882	9852	13364	13977	1937	0	10217	0	Lipid	0.13333334	1.6666666	0.06666667
24	C16 H29 O1 N1	252.2322	252.23245	0.03125311	252.2322	21066	25525	22397	23815	8440	63656	1662	15864	0	76014	0	0	12212	27239	0	127466	103207	14714	9646	10677	16093	3029	0	14838	0	0	1185	0	9407	98182	18665	60724	48479	16663	3818	62398	18790	0	32661	13147	119039	66014	72298	0	0	39197	226378	0	162640	364578	23131	25291	1313	127971	0	0	0	24807	0	946747	33426	0	19563	0	0	37380	2637	239507	0	0	12010	16722	4458	15216	41171	169893	0	0	0	0	0	0	0	0	0	0	0	126318	6220	115654	37926	2922	210594	0	199062	13494	19053	25222	0	0	0	10136	0	7566	0	4146	0	0	0	122114	Lipid	0.0625	1.8125	0.0625
4	C16 H29 O1 N1	252.2322	252.23256	-0.23534665	252.23213	11955	13863	14763	12934	0	1623	2357	36962	0	3648	1792	11005	0	1349	15103	82001	17005	746	1038	4208	2693	9800	15946	103984	38838	597	3968	0	10604	11840	18898	11609	5977	11780	4209	13792	6701	13591	20387	4749	436	5779	0	0	0	12056	2610	0	30732	19880	15556	13666	2668	0	0	0	1334	70465	0	0	69224	1485	0	297	2027	559	6065	19521	0	3149	0	15735	5418	2064	16967	9355	0	8310	22790	18002	17840	0	560	3318	0	1103	19633	6327	8700	69591	43905	785	112954	14843	38976	0	15837	14933	0	0	0	5691	9460	19772	0	55303	0	0	33036	0	Lipid	0.0625	1.8125	0.0625
6	C16 H29 O1 N1	252.2322	252.23253	-0.11774483	252.23216	4613	4805	3722	3412	890	0	4801	3923	0	9113	3330	2133	0	7477	5019	6541	1550	1029	1373	5581	6768	1112	1328	4360	6905	725	7643	3540	1624	1189	2807	2019	1648	2547	1399	1917	919	5242	1307	10690	0	701	0	0	0	4910	11769	0	3531	3183	5194	2998	3232	0	0	0	648	16226	0	0	7040	3989	0	0	665	853	4793	4657	0	0	0	2631	2518	1466	2130	1025	0	2116	1944	9984	2829	0	0	15599	0	0	2089	1465	3224	12197	48473	0	13245	12823	32275	0	3219	3926	0	0	0	2078	2514	3393	0	8698	0	0	3688	0	Lipid	0.0625	1.8125	0.0625
12	C11 H8 O7	253.03429	253.03459	0.074923374	253.0343	13299	12979	13525	14993	35180	19837	3350	3720	28914	0	18777	11274	40526	21062	6406	9771	9007	36980	37493	0	0	6235	14332	3775	1391	0	3654	9907	3592	3679	10327	6443	6821	5174	3031	5089	4951	6648	6719	0	0	14999	1063	395	856	0	0	1103	8033	4602	11807	10868	22295	690	21144	19078	15276	12908	0	0	0	0	61604	32311	14941	49560	17317	7234	0	0	0	5587	5408	4377	5849	5520	740	7286	12543	0	10042	1828	0	0	27274	12016	12550	18748	20161	8244	5517	6076	4579	5360	1192	1225	13966	8454	18183	27947	27452	9149	11095	0	0	9031	19603	858	3324	52542	Phytochemical	0.6363636	0.72727275	0.0
10	C11 H8 O7	253.03429	253.03462	0.06345896	253.0343	5514	6107	3199	5637	24790	14551	2265	1444	23137	0	3045	3779	48080	12325	3096	2728	1342	24688	27347	0	0	2724	7340	0	0	0	1404	0	1688	1217	2570	1088	6537	1729	0	0	4406	2703	1258	0	0	9838	634	0	773	0	0	741	0	1676	6013	4981	15171	748	20183	18996	8877	2781	0	0	0	0	48658	25770	9320	35365	10290	1832	0	0	0	1568	1405	0	1278	1725	0	2380	5052	0	3205	0	0	0	22192	7991	4695	10612	13003	0	0	0	0	1952	1126	833	6125	7966	16591	29192	25671	5373	3920	0	0	2233	14309	485	1286	54226	Phytochemical	0.6363636	0.72727275	0.0
8	C11 H8 O7	253.03429	253.03468	0.048136096	253.03429	2527	4447	3048	4223	20501	9113	0	0	15958	1460	966	1186	33665	9482	1000	0	892	12975	16408	993	1708	1020	3167	0	682	0	840	0	0	0	0	1020	1532	0	0	0	969	1788	0	0	0	5168	0	263	629	0	0	603	0	0	4404	4595	11970	496	12952	18056	6565	0	819	0	0	0	37014	18095	5517	22213	4448	0	0	0	0	0	786	0	1310	1298	453	685	2705	0	2586	0	0	0	19902	5280	3459	6961	7530	0	0	0	0	0	0	518	3286	3716	13211	25973	21208	2195	1488	0	0	990	12807	369	0	41744	Phytochemical	0.6363636	0.72727275	0.0
16	C11 H8 O7	253.03429	253.03459	0.05075898	253.03429	3978	2446	4513	2346	14426	8113	0	0	10499	0	0	2358	19502	15218	2801	2471	1853	18795	17253	0	0	0	3190	0	0	0	1092	0	1837	1626	3722	0	2376	2288	0	0	1866	2156	0	0	0	4666	819	793	1498	1094	0	1690	2831	1054	1738	2338	9465	952	8274	12377	5671	1928	0	0	0	0	25597	8611	4107	20651	7771	2086	0	0	0	0	0	0	0	0	1001	0	2701	0	3010	1257	0	0	17726	3901	5437	5766	8782	0	0	0	0	0	0	1162	2787	2896	9551	14790	16298	1575	2327	0	0	0	8782	1083	2872	24089	Phytochemical	0.6363636	0.72727275	0.0
14	C11 H8 O7	253.03429	253.0346	0.064878955	253.0343	5331	5073	3527	4508	28229	15177	2048	2516	22551	0	3730	6065	34807	21942	4090	3205	3523	27827	26315	0	0	0	7039	0	0	0	2594	0	0	3195	2780	0	2705	3465	0	2679	3234	4363	1490	0	0	7265	0	630	973	0	0	1500	1535	1384	7435	3075	16082	540	21730	14575	8194	3804	0	0	0	0	40001	17275	9316	30791	10643	2613	0	0	0	1923	1816	1295	0	1566	730	3665	4393	0	5792	1214	0	0	22108	7173	6088	10495	14987	0	0	0	0	2574	0	1047	3962	3526	11800	22159	22466	2973	3964	0	0	3790	8786	631	1935	36571	Phytochemical	0.6363636	0.72727275	0.0
16	C12 H12 O4 S1	253.0529	253.05322	0.092115	253.05293	9564	10643	9335	9360	19264	11734	2048	2025	10469	18882	14745	1461	22585	8103	4377	5869	6667	28323	21864	15679	18701	24312	4566	4126	7690	4079	3842	15294	3363	2196	4265	0	6211	2676	27223	1905	11419	2981	5146	17748	17813	6099	526	0	423	7581	16460	489	4868	2166	6402	9010	17114	681	7958	6351	5574	10064	9011	12081	0	11950	8085	7510	3675	11592	10177	0	2756	3676	4413	0	0	0	2785	1896	0	1371	5939	26452	2962	10878	9152	11211	7618	6659	9020	11441	10834	0	35991	41297	0	28047	38153	448	11146	10715	12960	11626	11252	9436	2760	11658	3778	0	14099	371	4931	15010	Organosulfur	0.33333334	1.0	0.0
18	C12 H12 O4 S1	253.0529	253.0532	0.06498078	253.05292	9846	12980	7269	6621	18058	13134	2407	2401	10986	12003	13032	2859	14308	8454	4720	8050	5119	31401	19700	10773	6672	22413	6184	4133	6132	0	2619	11978	0	0	1540	4194	8828	0	14717	1742	10491	4955	6843	13606	10125	9069	783	0	471	8421	7879	558	6564	2213	7676	8113	17474	0	12325	8714	7662	12542	5547	5253	8082	5747	5892	9237	6223	15850	10730	5981	1558	4856	2575	2386	0	1971	0	0	314	1154	9159	15628	3796	8326	5037	5341	7135	7347	11162	13486	11178	8986	36712	40716	12949	14567	25801	709	9661	7656	10714	5880	7679	7883	1427	10129	5564	3882	8004	0	7690	17586	Organosulfur	0.33333334	1.0	0.0
6	C12 H12 O6	253.07066	253.07106	0.009522117	253.07066	179740	200004	153304	190134	438016	206677	85730	99968	494282	165312	150880	104476	666658	207004	103654	126914	134814	593732	569877	129756	180254	135946	130340	94806	48832	37836	86532	64420	106688	99752	95656	117994	192456	98158	197978	103170	168140	105998	171160	85438	142692	205344	18579	10068	19440	116288	114460	14364	122080	80136	192512	194938	325866	14272	510039	486996	220418	146558	71415	125886	128012	84716	667368	436934	162620	476654	218486	156230	95952	73302	130394	79844	101604	89672	295156	107676	13456	76855	120276	51460	107036	70950	68040	45930	476210	224750	142204	235232	265150	123866	64768	97250	91770	118602	119946	17160	170006	182124	356546	620200	631868	186662	98140	118050	73222	102074	434522	10764	67610	1516441	Phytochemical	0.5	1.0	0.0
4	C12 H12 O6	253.07066	253.07109	-0.017045915	253.07066	30956	38726	24918	34846	66522	30901	15538	20615	77432	19313	24713	17103	91924	42431	17574	19681	27646	84312	77388	23544	29126	30903	26054	20493	11891	10516	15094	11258	19845	18557	18138	20440	29658	13213	37218	21344	26299	17710	29956	22592	25908	37494	6775	5544	13221	24235	22878	10476	20289	15036	27847	28375	48771	9063	75235	90694	37193	28160	16336	18925	23912	13860	110845	72411	32612	72437	28708	26937	23258	15646	23946	16439	18594	20086	12557	26127	6786	17744	25400	10486	27453	18100	15525	9154	83487	36830	25983	34437	42559	20292	20887	16342	17781	19851	17794	19925	30692	39239	72800	116196	107614	32959	20904	23525	21809	17906	68272	6821	15386	115826	Phytochemical	0.5	1.0	0.0
14	C12 H12 O6	253.07066	253.071	0.022971982	253.07066	158091	173427	141076	175210	351515	283809	104202	106221	435982	91913	81232	96267	648760	280592	132366	120715	103969	576983	435138	107637	108105	126343	143072	95192	100004	20477	101124	66237	118581	103821	106134	114893	207999	110018	138956	114632	177005	109898	120126	77002	62915	169402	16337	10177	12954	69929	69271	13355	111958	80772	153131	149659	284888	10531	518925	275810	171347	167504	96693	57491	140706	63904	543793	412900	136895	455278	191097	90930	45498	49782	55771	83463	92632	95710	83734	105584	9353	103837	138164	87780	122669	63013	61388	41509	301566	192493	150750	167600	228594	99214	106112	113282	126510	84303	77503	17141	172780	167076	226447	288916	292242	165830	106828	89534	62378	115707	223556	10788	83322	587353	Phytochemical	0.5	1.0	0.0
18	C12 H12 O6	253.07066	253.07095	0.008646419	253.07066	55228	55310	49683	46913	82730	72887	34826	51572	78700	30180	24134	30122	146614	74179	49725	41179	33748	117370	103118	29025	32130	47476	53844	48764	35395	14410	31896	22805	40882	34230	45076	36221	64751	35280	41955	35586	66129	46107	39598	28125	31315	45222	11276	8436	13340	36573	23965	12171	43914	35642	51657	54809	67872	8575	120084	69317	48736	60573	35162	21595	44727	23891	117638	83174	40418	106514	61777	36014	17519	20704	19027	37274	33183	36980	28541	41541	9799	31079	54520	30682	51569	30762	23328	17141	87051	49906	54879	54393	57610	30951	35271	31718	54614	25304	28359	12443	60288	54495	62907	74766	72856	50060	39579	29222	21739	36709	44588	8443	36929	127948	Phytochemical	0.5	1.0	0.0
16	C12 H12 O6	253.07066	253.07098	0.02840001	253.07068	93147	99222	82191	104435	188266	148184	62960	73178	194304	60964	49304	61402	334848	147053	92923	75034	62969	261201	244851	57364	62143	60224	94419	72985	65719	17883	52944	29380	71170	64839	78441	72305	112785	66018	72052	76157	119486	70402	68747	56433	54010	104836	12314	9991	17544	49947	36462	14579	87287	61782	92825	100200	152996	9908	219346	132656	101584	102355	54701	35765	98909	30638	233263	187000	72168	221900	115075	61201	21956	37758	30898	59729	71053	74501	57291	71674	13218	63847	98119	43664	75368	47799	36366	29044	146945	110552	86021	94298	123311	60194	65139	78100	70039	49854	57004	14793	99834	94038	109919	146216	162073	104502	61715	52657	25537	76557	117463	11786	68722	315663	Phytochemical	0.5	1.0	0.0
12	C13 H8 O2 N4	253.072	253.07274	0.4919089	253.07213	214945	259120	235879	266435	543801	369716	133903	121368	658752	163197	116538	104431	800922	320880	157906	174803	138014	857594	770889	162300	174567	173791	193734	123993	101113	31692	126367	79748	162647	122402	135745	160343	278292	143901	219639	125935	263386	133661	156646	103301	137965	253026	15347	9304	13913	97001	94295	13249	159450	104202	245783	239248	434231	10631	817522	389278	247551	187673	118605	93190	166869	98414	889021	633027	184648	703547	269776	140890	62583	66272	79537	114990	133332	110587	125258	138619	8252	126796	166418	87483	142412	90001	77219	47752	413355	262693	194420	243793	311242	124733	136967	189079	128100	128335	128537	15728	244886	248016	395358	433686	406689	252946	134454	115519	82520	138143	419627	10793	86401	1053989	Unclassified	0.15384616	0.61538464	0.30769232
10	C13 H8 O2 N4	253.072	253.0727	0.434215	253.07211	262425	254482	230395	226221	636137	390557	117655	136785	692651	202016	181042	139585	982334	343131	147099	179816	153495	869606	777150	180120	226155	193942	181743	135986	97279	30053	118637	93599	158431	131105	128228	170991	310704	142257	254274	145701	306766	141961	170934	143354	171169	274937	21634	9916	14246	97891	108699	12394	157528	99290	249249	259971	470986	12914	818259	515847	210532	220865	119447	124555	180008	95277	778946	700731	215051	749105	292530	172077	88857	73403	90291	126628	139550	109041	226491	156368	10121	117967	175040	119354	150584	87061	75229	54401	558993	312947	206627	288514	342957	109212	138265	160803	117018	164991	162786	15803	250184	253777	473140	583597	585396	245595	135741	149505	87284	118417	522693	9839	89483	999599	Unclassified	0.15384616	0.61538464	0.30769232
8	C11 H12 O5 N2	253.0819	253.08228	0.013732789	253.0819	68905	76563	57162	72062	78128	57896	40271	60809	92458	34518	31503	60443	103204	30639	54367	104652	94233	120418	126224	30422	38137	90023	70441	75558	35875	4015	50175	13824	55040	43821	54184	72220	93342	60964	46378	52327	99134	54997	115232	30111	50762	79240	1294	718	1004	37777	31390	640	71193	54663	65465	70484	84539	873	113878	45210	52037	76250	35943	45567	95697	22540	102336	106030	46418	88688	71689	109036	11785	14378	17931	57669	54257	34587	58332	58000	735	45145	61413	23216	45581	20159	26844	13850	59693	40148	68326	100447	99664	147748	24752	59583	166755	33049	35156	1130	65829	65527	52968	57104	53131	91259	53874	48116	11558	102708	63131	510	46693	156941	Peptide	0.45454547	1.0909091	0.18181819
14	C11 H12 O5 N2	253.0819	253.08224	0.077060595	253.08192	14172	16650	14441	15598	10032	10358	15347	15817	7862	3684	5270	18930	8357	7588	15082	25829	26209	19528	16074	2321	4439	22128	17712	19576	13507	0	18061	0	13404	14816	14509	21095	24408	22395	5509	16525	24109	13513	24156	5754	12556	12553	0	779	756	5968	7668	784	21513	14346	18356	15339	16330	1353	10431	3987	13616	25166	5150	7308	27212	4472	12825	11871	10553	14890	15285	35758	0	2589	6606	20047	14172	10738	17188	16541	652	13865	22504	0	14245	7064	7420	3441	8236	13165	21172	23623	24191	46418	12016	19376	33558	6969	6497	1048	19642	14592	5611	5455	6218	19044	17657	5850	0	29077	5762	869	16225	13007	Peptide	0.45454547	1.0909091	0.18181819
4	C11 H12 O5 N2	253.0819	253.08232	-0.009280793	253.0819	28730	33679	27711	27683	39140	21784	12653	25771	52316	10894	14000	20956	47814	14079	18987	31269	46506	58720	58656	13457	17533	36457	26290	29800	13206	3069	13815	6000	18948	16069	20062	20197	29830	16259	18692	18188	27509	20606	56538	12932	18773	38044	1536	722	965	17190	17154	882	26866	19908	27637	23316	36375	1004	53618	40921	31269	28007	13572	21737	32167	8351	66320	48675	31241	43451	26796	45524	6014	6081	6897	17989	16509	14970	17115	17655	615	14080	22864	5038	18241	9288	9654	5901	43615	32365	22437	50138	40783	56059	9817	14582	54810	10278	10032	1642	26096	29865	37961	45849	41916	33038	18170	20825	11136	32454	37225	757	14538	89507	Peptide	0.45454547	1.0909091	0.18181819
6	C11 H12 O5 N2	253.0819	253.0823	0.019705728	253.08191	69651	75782	62428	63835	80592	52311	36675	56965	89498	30700	30247	50782	94900	28877	49539	92613	85866	142854	133359	27214	45246	78821	62096	73681	26915	4137	34485	13270	52528	44845	55571	60665	90303	58744	42995	47198	92037	49377	118789	25086	39648	77919	1734	442	685	30302	31588	587	66436	52705	77550	64200	83904	936	106290	54232	54339	93196	29533	46390	76279	19545	125088	82479	48099	104932	85265	122509	11428	14452	14702	51337	46879	37220	44238	45340	370	33065	49047	14188	40618	19067	22662	9824	66240	53162	59001	112604	97306	154604	27886	35710	142102	27675	28521	979	64739	56576	52833	55703	60891	89721	49644	46306	16681	89093	66403	766	42118	182603	Peptide	0.45454547	1.0909091	0.18181819
12	C11 H12 O5 N2	253.0819	253.08224	0.04700803	253.08191	35666	41360	38550	45761	29081	28754	35504	34808	34815	14368	15152	29612	28718	13535	35103	64814	63091	47445	47560	12138	13090	56105	42058	70851	30177	916	35905	7958	34315	29807	35568	44604	57653	46271	22219	36538	62463	31878	73816	12701	28647	41527	971	530	1069	21804	8869	847	51019	38746	45573	40654	36511	885	35436	13651	24148	71568	13523	21624	52027	10100	35993	32946	20789	41943	34462	83575	0	10574	12697	40058	33803	27354	50924	32527	754	31451	41099	15352	36467	12341	12905	5534	23993	21201	49560	50282	43897	122837	30727	38727	118803	21698	15954	1027	43185	45196	21314	19254	15116	56272	30558	17396	0	73274	25234	997	38381	53864	Peptide	0.45454547	1.0909091	0.18181819
16	C11 H12 O5 N2	253.0819	253.0822	0.08105994	253.08192	3652	5368	4170	5463	4324	3946	4946	2452	2873	0	0	2344	4429	1209	6144	3605	9935	3319	1928	0	0	3173	3284	5437	3137	0	4271	0	4083	2081	3148	0	5778	4572	0	2057	6888	2626	13044	0	3312	3969	533	974	1214	2422	1791	792	4311	1971	5179	3742	5003	942	2771	1042	4098	5349	0	1622	0	1174	2326	3465	2465	4299	2536	15119	0	0	1814	4685	3874	2233	4890	3913	756	2715	5127	0	5025	1296	1848	0	3165	2099	6406	5955	4246	34952	3417	2334	0	0	0	1120	3194	3137	1295	0	1598	5514	2036	0	0	0	1584	1115	6083	6459	Peptide	0.45454547	1.0909091	0.18181819
2	C11 H12 O5 N2	253.0819	253.08235	0.011783204	253.0819	16285	17127	12689	16302	34623	18002	9336	16970	33427	5855	7682	15089	47083	14066	12624	5678	20159	47228	36472	6771	14463	23527	18721	15847	5914	1613	3603	3952	16860	10468	18688	16748	31208	14992	10764	13753	20986	11268	20653	8432	11600	26335	741	555	728	6896	6646	647	19768	8898	14954	18652	32139	573	32752	20525	20772	24235	7010	7974	8150	3955	65677	38451	20499	49317	29631	26184	3043	4891	3829	15000	14745	8785	4072	14338	575	9248	15851	2058	12765	4546	6094	3184	28055	17617	15502	43879	34790	31086	7876	8042	33097	5362	2660	1182	19465	18494	24670	26336	25622	16387	12877	8093	5156	25861	19242	620	11591	73895	Peptide	0.45454547	1.0909091	0.18181819
10	C11 H12 O5 N2	253.0819	253.08224	0.030793525	253.08191	48329	48019	50100	53810	58521	50976	35514	51892	47698	25667	26003	47133	74533	24012	43764	82377	86895	85821	84359	21853	29497	69004	52537	67334	39442	2563	50113	16847	45483	41871	42142	43915	75809	57935	32857	43701	73804	44560	106815	24125	35201	51542	1304	657	1001	29222	27238	1051	60329	36274	58491	54031	55469	1368	70931	29984	28998	85779	28391	34097	77602	15643	68543	64875	30425	74321	49640	105587	10536	11407	14837	49002	40576	29391	60629	38677	621	36110	57369	37337	47997	19144	20009	6815	39536	34552	70626	65571	61914	131379	35674	42105	120932	25514	31186	1131	50151	50917	31460	32880	34222	75013	41223	32743	0	84918	39906	945	48423	102763	Peptide	0.45454547	1.0909091	0.18181819
0	C8 H16 O5 N2 S1	253.08527	253.08559	-0.7568205	253.08508	0	0	0	0	0	0	2482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6289	2591	0	5429	2422	0	0	0	2185	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1967	33227	0	0	2456	0	0	2340	2200	0	0	0	0	0	0	1392	0	0	0	0	0	0	0	0	0	0	0	0	865	0	0	0	Peptide	0.625	2.0	0.25
16	C16 H12 O3	253.08592	253.08624	0.039946936	253.08594	20820	24012	12868	17822	19003	14953	13270	16250	15734	25102	18058	13798	14306	12174	15699	16458	15441	21363	25114	23837	23355	24916	16413	18839	17206	24952	12178	15117	11534	13581	12665	13597	21197	11326	26583	14166	14081	12090	22845	22351	25194	12682	1688	1058	1639	15454	15684	1528	14099	12552	18151	15777	13931	1338	13592	11749	15747	18304	8907	14851	17526	10823	10580	10768	10006	15636	11431	16007	16434	26030	34302	8914	11514	8787	13241	19706	786	10242	24317	23910	22316	14112	11341	13810	16055	10591	23262	15764	16522	40029	20962	15272	0	16777	19898	1889	17810	15718	11682	13540	17010	18450	11720	13165	11269	18388	14767	944	21530	11590	Phytochemical	0.1875	0.75	0.0
18	C16 H12 O3	253.08592	253.08621	0.040079106	253.08594	38185	40531	32871	33134	25278	19575	21235	38094	26653	29289	24595	22954	26983	23675	32637	84134	25436	64229	136875	25994	22334	71219	43461	60915	47224	17902	23398	25326	19977	21319	21315	17084	30489	16819	39872	14916	30164	33200	33224	30087	26448	27910	3690	1389	2380	26437	21909	2380	27918	22734	39676	37525	31448	4644	28074	20282	22859	75613	15187	20589	67781	16123	26027	18586	23921	33654	30256	33524	28415	27372	35295	25997	12055	15266	16649	35575	1441	23123	87721	35732	46506	25399	17234	15999	40313	32948	121538	53533	44865	303719	46338	26579	189704	22596	31354	7188	37409	37446	19221	24694	30809	35437	19786	26714	12770	75317	18897	2106	68364	32679	Phytochemical	0.1875	0.75	0.0
14	C16 H12 O3	253.08592	253.08626	0.077311836	253.08594	10375	10384	8098	11664	8082	6808	11617	13091	11228	20397	13699	7673	8367	5498	10767	11282	8556	12609	21448	12834	14094	18021	12769	11113	10578	15038	11979	0	13354	9355	10141	9585	12491	7059	14916	8561	13432	9928	13292	15656	16624	8164	0	1155	1187	12617	10045	1635	13438	6903	8882	13287	9862	1002	7607	6237	8319	14645	7325	6108	0	5594	8599	9448	7116	11225	6607	11706	0	15521	22928	8118	8643	8856	10016	14871	948	8099	12945	0	17120	11834	8282	9970	9108	7953	14420	9408	10520	21230	9174	11176	19609	8377	11270	1710	10593	11773	10173	11267	9644	9568	11946	9069	0	11253	5856	1004	12553	6304	Phytochemical	0.1875	0.75	0.0
20	C16 H12 O3	253.08592	253.08621	0.049881708	253.08594	25222	36959	24680	23019	29399	24399	15142	30060	21511	21607	24570	20591	21195	22341	20022	39040	36059	69382	68385	23350	23721	37481	29248	47784	22994	20814	20295	25895	32305	26446	20878	26957	25218	28115	30523	28688	31270	21501	32756	26824	22874	36178	8727	3766	4566	22208	19883	3489	28638	29567	26870	33166	28485	9526	15221	13876	19130	29972	15052	21729	38982	16058	22152	16358	18249	33762	48651	43492	17527	28422	32987	25009	25342	20740	31175	26479	2284	21560	38273	35250	25129	16869	13797	16087	23684	20338	42463	52393	47932	56643	31027	23939	80088	28803	30684	15152	26666	27870	22091	20167	24160	28548	24111	22142	16743	33249	19814	3066	30062	25240	Phytochemical	0.1875	0.75	0.0
24	C13 H16 O3 S1	253.0893	253.08954	0.071189456	253.08931	2581	2685	1620	1564	1658	2341	0	0	1324	3239	1679	0	1535	3488	0	1791	0	3000	1350	3558	3811	5481	0	0	2444	0	0	3716	0	0	0	1271	0	0	5001	0	2070	1016	1320	4533	1475	1877	0	0	0	2743	2927	0	1324	0	0	2523	3415	0	0	1323	1014	2013	2865	1648	2124	2204	0	0	0	2377	2329	2136	0	0	0	0	0	0	0	921	0	0	0	2746	0	2732	2712	1975	0	0	1796	1145	2886	0	16122	21841	2813	4893	8667	0	2478	1106	1743	0	0	1588	844	2152	3379	1348	1741	0	0	0	Organosulfur	0.23076923	1.2307693	0.0
12	C10 H12 O4 N4	253.09312	253.0937	0.22634159	253.09319	0	0	0	0	1483	1125	0	0	0	0	0	0	1315	21301	0	0	0	1318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1420	2797	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	898	0	0	0	0	1886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.2	0.4
14	C15 H12 O2 N2	253.09715	253.09749	0.09292051	253.09718	6779	4715	9673	8250	68059	21913	3796	2616	8720	2231	0	1385	11953	156829	1314	4555	10188	9885	16904	0	0	0	0	4875	1441	3462	4029	0	4120	2236	3114	0	3967	4285	0	2118	2260	1821	9215	1543	5943	43938	0	0	0	1712	0	0	7902	2570	5686	4848	47268	0	3606	13534	27017	3366	0	9203	0	0	0	5003	20573	22038	43059	14097	0	2244	6743	3694	3995	0	6598	4604	0	2035	1722	0	1840	1733	5796	2830	4650	7652	0	13799	9974	5972	2890	0	3974	0	1411	0	8174	4518	6120	2841	5331	2622	1050	8620	0	2189	35349	0	0	5747	Unclassified	0.13333334	0.8	0.13333334
14	C10 H17 O2 N2 S1 Na1	253.09811	253.09888	0.6424391	253.09828	6779	4715	9673	8250	68059	21913	3796	2616	8720	2231	0	1385	13986	156829	1314	4555	10188	9885	16904	0	0	0	0	4875	1441	3462	4029	0	4120	2236	3114	0	3967	4285	0	2118	2260	3297	9215	1543	5943	43938	0	0	0	1712	0	0	7902	2570	5686	4848	47268	0	3606	14729	27017	3366	0	9203	0	0	0	5003	20573	22038	43059	14097	0	2244	6743	3694	3995	0	6598	4604	0	2035	1722	0	1840	1733	5796	2830	4650	7652	0	13799	9974	5972	2890	0	3974	0	1411	0	8174	4518	7326	2841	6584	2622	1050	8620	0	2189	35349	0	0	5747	Peptide	0.2	1.7	0.2
20	C18 H13 Na1	253.09877	253.09927	0.6864899	253.09894	1825	0	0	1651	0	7451	0	0	0	0	0	0	0	335448	0	0	0	0	0	0	0	0	0	1919	0	0	0	0	0	0	0	0	0	3140	0	1406	0	0	0	0	0	3248	0	0	0	0	0	0	2386	0	0	2256	0	0	0	0	0	0	0	0	0	0	0	0	0	1812	4076	0	0	0	0	3914	1875	1351	0	0	0	0	0	0	0	0	0	0	0	0	0	4205	0	1527	0	0	2491	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0	0.7222222	0.0
6	C13 H16 O5	253.10706	253.1075	-0.00344261	253.10706	269996	302454	236168	277291	546968	194822	230436	269840	689474	463134	343310	193604	673150	383474	216940	316576	550818	409899	450096	576718	607942	543426	241716	249968	138740	397110	202566	129474	303373	274853	255106	300359	362521	236689	575072	280725	328084	216414	357976	312958	472898	267141	47096	39992	58993	454890	461390	43867	306380	471102	282051	279615	261726	41769	868752	687644	434698	327138	395246	485600	287322	274856	687832	555486	288026	605404	240666	363272	247496	518530	663474	208501	243258	568416	192241	278539	38878	169448	246996	107250	215052	401820	508238	303676	634170	470290	270766	224350	282878	335517	175488	433432	277591	351564	450786	53135	255565	269446	486108	773240	888388	362789	228474	536774	143345	231657	601912	38580	170369	758430	Phytochemical	0.3846154	1.2307693	0.0
16	C12 H16 O4 N2	253.11829	253.11858	-0.007537592	253.11829	31420	34844	36226	34876	20730	78964	37300	42563	69831	0	9040	28175	7832	22956	154793	38922	24278	48914	58150	3890	4429	20870	28597	37084	173207	1359	19074	11381	77245	41566	129092	77632	97879	57285	8576	48288	50710	127629	25841	8541	8038	67087	1614	2634	2672	8818	2651	2661	85165	31860	41046	36913	54585	2572	0	4753	83586	58902	4948	7525	46170	4408	7159	32764	108154	21599	74747	27395	0	6681	5426	66439	34945	31436	16273	34929	2485	55852	25084	13791	31625	5596	8115	3991	11138	148278	42351	37273	73800	46234	22389	15728	55343	6603	7491	3010	33481	26730	18884	5268	6249	53979	57301	7776	0	41153	8110	2637	62819	22140	Peptide	0.33333334	1.3333334	0.16666667
26	C17 H16 O2	253.1223	253.12259	-0.001724468	253.1223	9137	10877	9744	9331	10612	5988	4142	10710	8704	7116	10604	6879	7659	7753	12759	10337	8250	9411	15258	11892	11619	13992	7079	11038	9867	12861	6115	9343	9572	16595	9912	11209	13716	7085	10964	12570	12358	9506	11927	9727	10421	9719	0	0	0	7079	0	0	15100	9630	11197	9148	11103	0	5392	6332	7987	15273	8479	5445	13210	6139	8130	5861	4601	10696	16664	9582	11642	7976	9596	9589	8509	7292	6796	14699	0	9405	12803	12145	9056	7349	8018	7939	8561	0	20234	7898	10449	24400	11885	10724	20781	9773	9578	0	7170	12652	7430	9195	8661	13068	7301	8728	0	14218	5135	0	13296	6677	Phytochemical	0.11764706	0.9411765	0.0
18	C17 H16 O2	253.1223	253.12259	-0.003892931	253.1223	52371	54210	43884	43778	40850	32840	48483	63595	31866	41457	39828	32812	38098	30067	42738	67830	53646	49464	59280	64055	56425	57383	44888	62489	39397	70236	36415	43398	48690	50933	50447	50026	64264	51565	46007	55872	60513	40417	55524	52497	55232	35296	2195	982	1477	37864	32471	1327	58875	61024	49395	52073	39901	1829	38535	30621	33117	59955	33429	43224	57425	27396	40413	27872	26602	36010	43466	71927	58950	65984	89558	50557	41793	41459	61058	57032	917	34494	56847	32718	52594	40338	38600	43144	39769	37641	59305	39024	47490	75204	50608	41737	87126	33245	43032	2229	51859	41169	39477	37959	36996	57075	39136	51900	21743	42461	29290	1223	43556	34566	Phytochemical	0.11764706	0.9411765	0.0
16	C17 H16 O2	253.1223	253.1226	-0.021408642	253.1223	39431	43757	31806	38212	28533	15743	38402	45788	22081	34910	31230	34973	21035	17931	34912	56700	55613	32360	35246	40864	47076	37887	36436	52916	34684	48103	35490	19586	36110	41851	44706	39347	52444	28335	33949	38975	40141	28966	54709	33194	40582	26844	2374	1023	1377	21980	35932	2474	49295	41319	38929	41803	26867	1318	26585	23500	26979	46308	26030	32795	44377	21454	25616	22270	15611	30754	26498	51522	37761	51508	66091	31275	35157	42977	45961	47415	1242	27331	43948	28942	35558	32721	37680	27469	33409	20072	47981	25555	32449	69642	37231	33568	47734	20906	34292	2169	36727	30305	24021	30272	30720	39828	27750	39373	21070	41995	27429	1917	42261	19942	Phytochemical	0.11764706	0.9411765	0.0
14	C17 H16 O2	253.1223	253.12262	-0.039299943	253.1223	30167	30710	22696	28130	15716	11696	27357	31014	19062	19903	17047	21843	16172	7746	26515	31505	35995	19370	22677	30891	26715	27721	23773	34434	25600	27921	31043	12101	28840	29727	25731	35051	34794	22227	28248	27942	26018	26161	46282	19708	27173	16603	0	1064	882	20127	26645	1192	30396	36139	29707	22071	20428	790	15303	17483	18810	39339	21452	30884	39588	12865	18335	15773	12729	17724	15205	45002	24371	36416	44644	23118	24005	27309	36006	32838	729	19780	34456	0	31820	26179	23695	20582	25725	14899	34292	16280	20704	60421	27693	23464	44492	20192	21557	1399	23608	23579	17434	20147	19338	23071	28568	32365	0	34791	13251	1013	34620	16098	Phytochemical	0.11764706	0.9411765	0.0
20	C17 H16 O2	253.1223	253.12259	0.013308982	253.12231	57570	65795	50947	49054	46732	41247	42511	63177	36185	53552	49918	40489	41750	42440	55111	75379	63493	55733	71068	66878	74958	64170	42213	77420	53082	78700	44223	43010	54871	56134	50284	61696	61214	53263	68324	59859	70056	38080	54928	56896	66676	46633	5495	1637	1862	45788	42458	2312	63249	58624	62814	65079	42548	2237	36852	34135	38869	70813	39308	47065	69131	36514	45803	31736	27166	52313	51677	65433	62399	87653	100588	47920	51134	54343	53061	56641	1590	40512	50706	46483	51380	34942	40486	41792	45668	39906	66654	46939	49414	79627	62048	60208	85294	45566	50587	4890	57482	48409	47167	44967	43566	63730	48997	61674	33978	60423	33951	1195	53327	43549	Phytochemical	0.11764706	0.9411765	0.0
24	C14 H20 O2 S1	253.12567	253.1259	0.017730514	253.12569	4042	6033	5169	4331	4150	2799	0	0	1240	18275	10707	0	0	904	2177	0	0	2273	0	14277	19328	11415	0	0	1458	1574	0	12787	0	0	0	1388	1228	1266	12532	1527	0	0	1246	7017	5369	0	0	0	0	9579	12425	0	1363	0	2944	3313	2575	0	0	0	0	3511	7317	8238	2253	3080	1221	0	0	0	3251	1707	2321	0	0	0	0	0	0	0	0	0	0	15113	0	12960	9211	8495	1033	0	2014	1900	1092	0	54317	50789	0	17272	30426	0	2471	4440	3955	0	0	1570	800	9620	14736	2688	1715	0	1916	0	Organosulfur	0.14285715	1.4285715	0.0
22	C14 H20 O2 S1	253.12567	253.12593	0.029883794	253.12569	6679	7098	6972	5378	3635	8030	1694	3355	1964	15045	19080	0	0	33063	3926	3525	3188	2850	4341	16599	15889	12446	0	1761	2943	6614	3468	20355	2191	0	1363	0	4405	2471	12594	2770	1824	2980	3767	11708	14411	6223	0	0	0	12609	21085	0	2165	1296	5994	5212	5310	0	0	4779	6389	2137	6918	18185	6747	9677	7937	1076	10789	4373	7246	4592	0	4386	2564	1551	0	1067	1438	1349	0	0	1911	25895	1257	19850	11946	7036	2990	1695	4670	3875	4893	5840	61951	54025	2999	23145	28727	0	5687	9983	6676	0	0	0	2004	15135	11197	4602	1860	0	2946	2570	Organosulfur	0.14285715	1.4285715	0.0
4	C10 H20 O7	253.12817	253.12875	-0.29188114	253.12811	0	1282	0	0	0	0	0	0	0	0	21999	0	0	0	426	0	0	408	0	0	0	0	0	0	0	0	0	47367	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	472	0	0	0	0	0	0	1223	0	492	271	0	0	0	0	0	0	0	0	520	0	0	0	0	1213	0	0	0	0	0	0	0	548	0	0	127251	0	564	0	0	0	503	0	0	0	0	0	0	0	36984	1295	0	0	0	0	0	0	0	0	0	5188	0	337	0	0	0	Unclassified	0.7	2.0	0.0
18	C12 H21 O4 Na1	253.14104	253.14139	0.4742739	253.14114	1101937	1087129	1062668	978075	1239820	1047736	1450473	991011	785756	927905	699747	608374	1402476	1515206	819245	1315166	1326799	1561896	1580029	1304283	1120806	884040	708807	787627	786771	475583	1383976	815538	1388320	1087451	1009778	1383036	1588589	1304867	850861	1289906	1565929	728802	1372919	563558	531028	1002765	122739	50562	56532	607126	502944	56360	1338403	819658	1053304	1031392	1122624	63389	1230150	946218	713360	1558115	590224	582516	1279461	386863	1237520	844414	870884	1384536	1289523	1419200	313518	470218	453385	889556	954369	1168844	1294538	1193513	55943	609165	838396	752459	561871	532071	1188279	1014487	960631	860333	1070383	1012524	1142847	1216423	1391780	1343513	1172624	572496	889139	74182	1061756	1065953	907885	1164230	1369575	1598557	606735	919101	383955	922079	858368	57381	784746	1079061	Lipid	0.33333334	1.75	0.0
12	C12 H21 O4 Na1	253.14104	253.14125	0.4284375	253.14114	1167932	1316498	1248614	1250654	904106	674736	1569871	926778	658870	695806	615404	566768	802022	1003447	704550	1846722	1519926	1058446	1175262	1006192	892756	1117160	697166	1090090	804352	1059374	1978108	564130	1183472	1034004	883382	1336648	1273780	1081512	692412	1087466	1295184	716934	3307732	600084	796254	834470	94422	50882	49088	634326	798492	63070	1452826	873178	1228174	1314796	882274	46683	900660	777064	628476	1512590	498880	698240	1399402	370196	1055958	667068	794112	1035236	935230	1531052	532564	831234	888186	787040	991120	1025670	1722170	1148956	31002	641584	915286	507302	670158	659740	2023881	1953499	978038	739940	1233564	772650	845872	1813406	1284080	1322588	2604044	504604	1148458	68510	1280592	1207440	730796	1084958	1324636	1404302	620572	945506	396492	1056164	932462	48054	830734	843288	Lipid	0.33333334	1.75	0.0
10	C12 H21 O4 Na1	253.14104	253.14133	0.09261176	253.14105	0	0	0	0	0	0	7451	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4290	3368	0	0	0	0	0	0	0	0	0	0	0	0	0	1938	0	1937	0	0	0	0	0	0	0	0	0	0	0	0	1210	654	0	0	0	0	1037	0	0	5716	0	0	0	0	0	0	0	0	0	2839	0	0	0	0	0	0	1195	6882	23901	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	1.75	0.0
8	C12 H21 O4 Na1	253.14104	253.14136	0.07495902	253.14105	0	0	0	0	0	0	3250	0	0	0	0	0	0	2567	0	0	0	0	0	0	0	0	0	0	0	3961	9319	0	0	0	0	0	0	0	0	0	0	0	0	0	1259	0	888	0	0	0	0	0	0	0	0	0	0	0	0	1816	1995	0	0	0	0	2106	0	0	7170	0	679	0	0	0	0	0	0	0	4226	0	0	0	0	0	0	1165	6446	21315	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1620	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	1.75	0.0
14	C13 H20 O3 N2	253.15466	253.15497	-0.10901144	253.15465	11535	15341	12607	14030	10807	6409	14881	12829	6951	9703	5775	10323	8591	5064	7843	17353	19730	10235	6588	11472	5800	20200	7642	15875	10327	2233	17719	0	8121	11745	13622	16903	16317	18888	6988	14364	21940	11839	25639	7875	12723	8427	0	0	0	12468	17165	0	20459	10188	15676	13861	11790	270	5280	1809	6494	21447	0	12049	0	4151	5649	5320	4222	12446	7722	22387	0	4673	3471	14348	13664	10553	21014	14560	0	9140	11744	0	5904	9661	15899	10099	4288	6273	16869	12862	10265	39256	28794	21332	31907	8912	8456	0	15364	13281	6666	3762	6719	17009	11828	15741	0	22595	10015	0	18291	8621	Peptide	0.23076923	1.5384616	0.15384616
22	C18 H20 O1	253.15869	253.15897	-0.028168673	253.15869	45371	51171	38889	46115	44662	32777	44455	70424	29263	33818	31395	46624	22781	35640	51230	90444	90410	36327	43178	36998	40991	46555	50458	56624	53474	61542	48079	34574	68567	66797	53440	75544	68102	57761	35217	74958	69163	41857	90028	40954	46211	70368	0	0	551	33967	36999	0	67670	62908	50601	44425	43018	633	31752	33167	37863	75478	30996	43614	71514	24950	31099	31324	28340	34654	44611	94651	48397	50576	74463	49967	51548	60198	69390	69509	553	41857	53339	38384	49867	24094	38350	28796	44623	41594	75105	48279	53432	89755	49014	48839	80228	31778	40232	0	46263	46120	51974	46559	45916	86785	45380	56913	25052	64626	37700	0	61542	31147	Phytochemical	0.055555556	1.1111112	0.0
26	C18 H20 O1	253.15869	253.159	0.01400624	253.15869	21585	23636	19480	18960	17409	12578	13533	29702	16419	13132	18363	19622	17910	16500	23282	35114	27208	14542	23460	22531	16872	17816	20919	30107	23850	26378	12878	23048	29217	30862	25477	33526	29499	23841	14726	32772	28697	23447	25914	15719	16338	125975	0	0	0	14483	10096	0	29989	29372	20739	22579	18151	0	13408	17456	14320	32273	12338	9897	27623	11257	15021	14776	9318	18802	17945	23392	23601	21789	22969	22226	21116	31446	19363	31082	0	23510	21807	26571	15134	12538	15698	14024	21370	12610	32151	16589	21060	29599	23357	21152	36250	14883	14042	0	23412	19444	19633	26606	23433	41092	20414	24435	11043	26584	15596	0	23635	12035	Phytochemical	0.055555556	1.1111112	0.0
20	C18 H20 O1	253.15869	253.15897	-0.04322664	253.15868	39655	44891	33117	37258	31115	19462	32827	45870	22070	21617	28128	36599	24268	22068	33666	65959	72224	23061	35526	31077	31767	34698	28661	44124	36832	45029	39586	16356	39929	40883	35099	48530	52396	39063	26995	47932	43304	34495	73262	21700	28973	45462	762	0	293	24677	27554	804	41960	44080	39052	39169	30668	909	25717	28865	27914	58661	22518	40382	47840	16263	20197	23092	19812	28550	30488	75763	34041	37238	53681	35232	35799	45182	67437	44780	398	26858	50682	26838	33423	20204	31636	21209	30577	30795	58819	31705	32677	71282	37504	32676	57000	18642	19925	702	40251	38787	37211	41656	47082	57180	31864	35797	19290	38291	26495	806	47608	22820	Phytochemical	0.055555556	1.1111112	0.0
18	C18 H20 O1	253.15869	253.15895	-0.081146516	253.15868	25354	27271	22066	23290	18319	13411	28417	29001	11888	10000	11646	25565	14354	11224	26317	44780	50334	15798	19350	19540	20590	19349	21814	29679	24452	27528	32759	16042	23087	30178	25251	34601	31091	26681	14637	31238	28751	22676	67715	17970	24008	19747	719	385	287	12472	21931	469	31463	26477	28023	29153	19752	306	12857	16869	14987	36375	15412	26766	26558	8698	13241	9688	15542	14676	17911	65975	19442	21799	31807	16137	21355	33956	49685	31629	0	20054	35765	14800	30545	15093	18801	10380	24705	20644	41961	18723	22947	59257	20110	21407	34990	13237	14375	573	22084	27890	20993	26891	29258	38689	25277	25986	7009	25420	15689	345	28480	10200	Phytochemical	0.055555556	1.1111112	0.0
24	C18 H20 O1	253.15869	253.15895	-0.01649834	253.15869	57839	52624	44167	44841	42711	34135	32147	60197	32879	31503	41127	34899	37836	50302	54748	73866	79772	45455	54608	54395	45616	43811	39027	66704	46127	74203	42767	39605	56734	66863	50696	67414	60644	53534	40220	63320	66315	39473	67181	42781	50320	101214	2647	0	0	37399	37277	0	62401	61065	44916	47670	41130	0	31149	33739	34995	71246	34385	35921	66760	28901	33142	26193	23504	45774	49221	71767	55816	51810	74851	51527	52768	63289	59908	59868	0	42209	55195	41456	40320	30269	38604	31937	43568	28283	70219	38265	47528	69954	46058	40907	69870	39843	43027	0	46396	51729	51004	39532	46450	72091	36195	66135	26307	56437	34677	0	55614	22751	Phytochemical	0.055555556	1.1111112	0.0
24	C15 H24 O1 S1	253.16206	253.16231	-0.005526206	253.16206	6971	6431	7667	6595	11500	17832	2997	5394	16745	0	0	1021	4898	26970	5031	17039	2157	70402	40857	0	0	16752	4753	19101	9455	0	5180	7141	3609	3195	2763	3333	2478	2907	0	2915	2275	3383	1215	941	1884	6447	0	0	0	3859	3070	0	3167	4134	6412	7232	3565	0	6454	5139	4912	14319	9297	2128	14265	13386	5327	6577	21401	8997	18350	3491	15587	1799	0	1890	2236	2534	2093	2459	0	7943	17814	14192	4597	5229	1135	0	28678	0	25337	7029	10728	57108	9375	6250	60753	14798	4393	0	5534	7778	5230	7450	16493	3642	1621	2193	0	15504	11274	0	12717	6875	Organosulfur	0.06666667	1.6	0.0
8	C11 H24 O6	253.16457	253.16492	-0.08089155	253.16455	976892	1419609	1324844	1237381	57431	17395	10901	63301	16544	5210168	6876946	7124	88430	101624	4462	16655	45816	45378	7052	39115	4989828	68847	0	14974	5493	10311	9940	92167	20517	278916	11902	25765	88326	10468	1616379	10907	94772	3604	44441	0	1109730	34233	135975	2399	5767	1702867	2339817	8053	24643	15699	1263006	1287581	56387	84434	108405	14795	24889	17275	7920652	166879	25210	8592265	146785	8017	63404	177815	90693	57319	47127	71491	143299	214925	25835	25756	44065	10537	5921	2985	9231	185761	3963	18044	8152	413755	22171	64284	3657	76880	20028	72096	579471	2047252	88530	852274	156391	5889	1308359	1382251	25982	6048	16457	107060	6204	441661	62006550	66301	11099	6402	6724	73360	Lipid	0.54545456	2.1818182	0.0
14	C11 H24 O6	253.16457	253.16527	0.004211324	253.16457	0	0	0	0	0	0	0	0	0	0	2013	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1793	0	0	0	0	0	0	0	0	0	0	0	0	0	220	0	0	0	0	7050	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1235	0	0	997	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	108943	0	0	0	0	0	Lipid	0.54545456	2.1818182	0.0
16	C11 H24 O6	253.16457	253.1652	0.17029855	253.16461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	254	0	0	0	0	0	0	0	0	0	0	312	0	0	0	0	2040	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1649	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27160	0	0	0	0	0	Lipid	0.54545456	2.1818182	0.0
10	C11 H24 O6	253.16457	253.16496	0.03711533	253.16458	5695	4265	3050	4260	0	0	0	3194	0	13629	30150	0	0	0	0	2238	0	0	0	1802	7413	0	0	0	0	0	0	0	0	0	0	2236	0	934	0	1049	0	0	0	17815	4725	0	520	0	0	9948	13986	0	2571	0	3480	5762	0	862	0	0	573	1295	58100	0	0	27788	0	0	0	0	0	0	0	2169	0	1848	0	1962	0	0	1117	0	0	0	0	0	0	0	0	0	0	0	0	0	3430	2065	0	2780	2481	0	4310	4580	0	0	0	0	0	0	974405	0	0	0	0	0	Lipid	0.54545456	2.1818182	0.0
12	C11 H24 O6	253.16457	253.16513	0.04941233	253.16458	2327	2085	1619	4056	0	0	0	0	0	5105	24973	0	0	0	0	0	0	0	0	0	1843	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3166	0	0	521	0	252	1877	5446	0	0	0	1550	0	0	629	0	0	0	0	34269	0	0	17200	0	0	0	0	0	0	0	0	0	0	0	2302	0	0	963	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2389	0	0	0	0	0	0	449289	0	0	0	0	0	Lipid	0.54545456	2.1818182	0.0
18	C12 H20 O2 N4	253.16591	253.16618	-0.06828294	253.16588	6402	9703	9257	8380	2543	2480	7323	0	28323	0	0	1667	0	3211	0	0	4163	1863	22613	0	0	0	1200	0	0	0	11045	0	0	1440	0	0	18173	0	2657	0	12685	1138	3510	0	2086	5993	0	0	0	0	2783	0	0	0	4445	5629	1999	0	110079	30838	11624	0	1832	2955	0	0	130288	86874	5739	15364	24315	2248	0	0	0	0	0	0	2672	0	0	0	2751	0	0	0	2226	0	80654	8643	3062	1960	3725	0	0	0	0	0	0	0	8644	7243	3084	127460	150870	14615	0	0	0	0	2430	0	0	152852	Peptide	0.16666667	1.6666666	0.33333334
8	C12 H20 O2 N4	253.16591	253.1661	-0.25409204	253.16583	0	5426	0	3162	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1497	0	0	28580	0	0	0	0	33301	13945	0	0	0	0	0	0	112706	0	0	0	0	0	0	0	0	0	0	0	2317	1323	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13001	0	0	0	0	0	0	0	0	0	0	0	0	1435707	0	0	0	0	0	Peptide	0.16666667	1.6666666	0.33333334
2	C11 H20 O1 N6	253.17714	253.17729	-0.65816325	253.17697	2852	2482	2643	2393	0	0	1163	0	0	0	0	2619	0	0	427	473	2115	0	0	0	0	2188	2132	732	0	0	1420	0	0	0	0	792	1047	0	0	0	1188	0	1577	0	0	0	0	0	0	0	0	0	0	0	2043	1914	0	0	0	0	756	3860	0	0	1023	0	0	0	0	0	0	3743	0	0	0	0	0	0	3298	555	0	579	5110	0	1234	0	0	0	0	0	2746	4700	0	88694	0	0	80055	0	0	0	3371	1745	0	0	0	1065	1857	0	0	10832	0	0	2859	0	Unclassified	0.09090909	1.8181819	0.54545456
26	C15 H24 O3	253.17982	253.18011	-4.48291E-4	253.17982	60131	65186	53482	52933	55257	37941	294088	60384	44619	49027	84031	35057	46467	94385	56818	66129	67340	54105	64457	58127	57693	40492	39155	49533	54460	49396	255211	218262	58656	46629	42700	54394	57073	42543	57189	59716	51539	51825	78228	37948	35584	48911	26515	18918	35103	40166	36448	19541	50431	45060	65596	61420	45914	36787	55545	53373	42857	68901	54030	44001	66351	35105	58558	42904	73791	67796	80850	86516	28733	32044	30802	33805	35618	59236	42396	49884	33713	36683	45500	167307	33081	182091	98388	83009	53892	51224	75526	35389	44218	77453	202517	172700	78835	51550	51734	17437	63062	70551	44645	51460	48795	68267	37230	59765	152422	44786	53480	16288	52798	41393	Lipid	0.2	1.6	0.0
14	C15 H24 O3	253.17982	253.18011	-0.07259519	253.17981	35805	35597	39613	39567	44317	24100	60647	23530	18427	6949	8087	18458	49819	44771	17903	48423	29691	17625	27812	7679	3774	56135	17798	23549	28908	19753	57562	9758	17805	20798	25843	24322	17742	13683	6473	26036	17368	16526	37798	10388	13616	17675	4410	2691	1932	8755	13164	3995	20551	26608	33101	32438	18854	2984	24487	26171	22490	53964	0	12997	32675	3966	27406	16411	23838	28823	31641	42840	0	4587	9733	17393	18953	20033	25135	25697	2318	12313	30740	23507	20313	15361	74790	86441	90114	47580	40549	13997	19720	189196	40124	43091	91738	14607	23581	3161	37285	25504	25075	86996	103997	16220	15612	9921	0	53581	62919	2458	33430	15219	Lipid	0.2	1.6	0.0
10	C15 H24 O3	253.17982	253.18013	-0.07286314	253.17981	6013	5253	4414	5066	12391	5386	4990	3613	2978	2061	1706	1624	8819	6464	4199	10458	4848	3278	6160	2373	1415	8687	3056	5711	4342	1327	8095	0	2300	3654	2905	3103	2325	3347	2115	2296	3033	3941	5646	0	2505	2513	3139	1527	2104	2310	3556	2917	3533	4287	7022	5378	3340	1863	4157	8784	4741	9084	0	2449	0	0	5813	1884	3619	5566	4939	6205	0	1992	2047	2018	1628	2723	6976	2981	1685	2075	8486	0	5477	2710	7421	2731	15919	7372	13654	1538	1749	27568	8067	7414	12342	3549	7580	1539	4938	4825	6501	23255	22766	2202	2972	0	0	5188	10177	2251	6377	3174	Lipid	0.2	1.6	0.0
12	C15 H24 O3	253.17982	253.18016	-0.04178743	253.17981	27672	27663	25008	29284	15778	8220	19301	10859	7623	2959	4906	7092	21678	15783	6601	37051	13588	7832	11386	4944	2420	30911	8424	14608	13867	4585	38229	0	6352	15345	7915	12738	8662	10567	0	11466	11446	9718	14191	3613	5802	7183	2908	2522	1866	9824	14764	3439	13970	18095	25499	28655	9853	2412	17633	15857	9100	29551	4837	0	23991	2659	12374	6898	8349	11680	11856	13430	0	3082	2709	6552	11752	15512	19607	15451	1595	4773	13170	0	7831	10214	24774	25621	43724	23867	24685	5138	5728	112514	35781	35126	42963	9830	35560	2108	21637	20101	12355	41594	48982	9480	6153	4670	0	17109	31082	2019	13306	5507	Lipid	0.2	1.6	0.0
8	C14 H24 O2 N2	253.19106	253.1914	-0.05546191	253.19104	4448	5197	4080	4638	26026	2391	951	6748	0	4511	0	3302	1322	4283	3956	7746	3966	108465	3226	5715	3056	2087	3459	8573	4436	913	2788	0	5880	2976	4333	6061	4616	3849	6221	5117	4960	1621	3006	2612	1695	2266	0	0	0	0	1154	0	8062	5755	3710	6611	134750	0	1624	532	1111	6076	0	0	3587	0	890	912	0	30645	7831	5597	0	2283	0	3404	5464	4433	2839	3108	0	2582	3170	0	2140	434	0	2035	0	0	9406	3143	3160	8974	0	0	12097	0	5144	0	6059	4862	0	0	0	6597	2589	4056	0	5736	0	0	4672	0	Peptide	0.14285715	1.7142857	0.14285715
6	C14 H24 O2 N2	253.19106	253.1914	-0.1494612	253.19101	12035	14793	13009	16144	9504	5658	12216	30924	961	6741	2742	5196	1639	12178	21036	46702	9871	4588	4626	7460	7662	7594	16467	23209	58900	2470	11123	3753	35980	12113	14455	33127	14138	31298	11109	23847	16112	20864	7019	6191	1732	14484	0	0	0	6877	2271	0	39316	15057	14909	13387	13984	0	2388	832	2486	58585	0	0	37576	1466	1173	1251	2207	5093	11192	9934	0	6941	2913	15761	13752	10162	10786	16941	0	8439	10581	0	15465	754	418	3209	0	4524	33302	8947	24652	27883	16901	3248	28392	4074	6800	0	12332	11094	1703	420	1075	12318	6952	5615	0	26009	3158	0	29276	939	Peptide	0.14285715	1.7142857	0.14285715
22	C19 H24	253.19508	253.19533	-0.06480922	253.19507	5360	11887	4660	7710	6841	3789	10673	10432	4435	2358	2665	7099	2801	4649	9584	14495	33583	3667	4713	0	4264	6484	8002	10859	15245	2473	13416	4289	4744	10350	6412	9406	8330	5658	2916	9315	10065	8759	28431	2335	6278	6921	0	0	0	2385	8272	0	10343	10419	5631	8366	5041	0	4091	6591	6807	12849	3923	8973	11424	2240	2189	4841	6450	3026	5844	26611	3265	3831	5970	5799	8332	11822	23658	10659	0	6064	15858	6909	11109	4970	5433	3662	8325	7858	22780	5928	5689	43007	7953	5750	17678	2440	2899	0	6372	11223	14968	10276	13179	14665	8666	4776	4126	10600	9246	0	17596	3657	Phytochemical	0.0	1.2631578	0.0
24	C19 H24	253.19508	253.19533	-0.035196	253.19507	18258	21643	17727	20744	15836	8447	21988	32724	12327	4093	6811	16797	9673	15783	32380	44555	49180	6726	19219	7105	8066	16338	17589	21602	28742	12308	19264	11984	17239	23990	18055	21333	21484	16858	5299	25496	20282	26079	46307	7874	10534	21183	0	0	0	10778	13862	0	21920	29514	20829	16528	14155	0	13801	16478	14689	32823	7784	13733	32188	5268	8891	15439	10605	14438	25319	53049	7240	6939	7827	10431	13379	23342	38974	23905	0	17691	33087	22261	24787	13610	10980	8293	31976	19689	52873	10752	16292	92031	25537	19221	37716	15293	19776	0	17392	18999	35343	25133	27658	28828	16698	15647	9221	31304	19997	0	35265	7479	Phytochemical	0.0	1.2631578	0.0
20	C19 H24	253.19508	253.19531	0.011334572	253.19508	1729	3112	1761	2497	2944	0	3806	4265	1837	0	0	2438	0	0	3222	4106	11514	0	2446	0	0	3181	0	2516	1820	0	7456	1430	2084	3390	2238	4338	2109	2522	0	2897	2625	2009	11539	0	1928	1496	0	0	0	0	0	0	3467	4303	4382	3070	1099	0	0	1880	3189	3590	0	3892	3456	1511	0	1472	1698	0	2317	15397	0	0	2381	0	2596	4473	10154	5226	0	2458	8505	2455	3526	0	3086	0	4173	2684	9930	0	1746	23035	2836	2586	9360	0	0	0	2360	2856	5883	3183	3800	3869	2967	0	0	0	4406	0	7881	0	Phytochemical	0.0	1.2631578	0.0
26	C19 H24	253.19508	253.19537	-0.004792541	253.19508	20437	22646	24039	18202	15227	7384	17909	23335	19760	5385	13339	15388	8998	13841	31943	36101	39533	10168	23292	9517	8338	30251	19812	18755	33943	16773	20736	25813	20462	27491	25086	24059	26635	14438	9979	37917	22778	36943	42742	9798	12948	20889	0	0	0	13961	15008	0	20063	24740	23018	22944	17267	0	24005	19006	15547	29980	11022	15373	22457	6192	11120	14834	12056	14510	21011	47668	11712	11206	12077	13641	17472	33123	39935	28518	0	17987	37111	104318	19382	21153	13857	12341	35792	20692	55256	14696	14657	61356	23498	20116	34770	71350	31358	0	23458	25039	47931	31277	32234	49019	16257	19829	13875	25097	19599	0	39010	6951	Phytochemical	0.0	1.2631578	0.0
28	C19 H24	253.19508	253.19534	-0.054685943	253.19507	10328	8585	6822	7719	4868	2351	8270	9366	7050	2186	5189	5141	0	5811	5924	8438	9652	4601	6668	2693	2383	17043	7973	4678	8739	6356	7594	9045	7531	9714	8098	11062	9596	5128	1569	14376	6722	8625	10351	2341	1988	5618	1297	0	0	3119	3178	1146	7795	8907	8506	7134	7377	0	8754	7952	6041	10310	4250	3370	7751	1882	2214	5310	6166	5114	8928	13118	5803	4780	4906	3691	6784	11945	9623	8852	0	7080	14869	135865	7069	5772	4694	3095	14106	6466	20615	4851	5621	13768	6145	6063	7175	240809	21778	0	5944	7455	12660	15161	18581	10975	5903	5317	6075	6639	11708	0	9578	1604	Phytochemical	0.0	1.2631578	0.0
24	C16 H28 O2	253.2162	253.21646	-0.022327682	253.2162	149988	152980	136961	143648	21427	47957	374107	31441	15342	30341	105916	21026	15511	228165	25592	25046	47671	12772	20922	26864	23598	23373	17444	24759	25941	66287	404540	389684	26987	31848	17378	31088	29556	20044	19818	33125	26707	33123	57990	27760	63021	53990	73750	24012	37038	36958	75710	24223	30356	37883	134902	127922	21809	53911	16911	36491	53353	32187	21092	70173	48175	23872	56675	15383	216140	36854	75659	62506	33534	35311	55192	18561	23828	31291	39173	34411	58280	21896	15463	1911238	18149	61256	88212	119586	24687	32020	31219	46110	37920	53112	2847557	2727133	28416	415012	99495	37652	140862	183763	47208	14195	47173	25746	40942	59325	38698	20358	30809	26954	31559	25406	Lipid	0.125	1.75	0.0
22	C16 H28 O2	253.2162	253.21646	-0.021663683	253.2162	88293	103092	88723	98404	4107	15917	166505	6714	1906	8588	47262	3290	3478	104157	3925	6392	13538	0	4859	5927	0	6448	4649	1524	4185	22465	186238	112184	7242	6554	3089	6342	4677	4248	3375	6233	3410	6072	12958	3832	17683	9738	20817	4021	6336	5691	16827	6743	6293	10335	99441	96760	4072	11436	1422	8988	11519	5045	1818	31752	17783	5541	31003	0	67309	6220	21060	13839	5610	12381	15266	5140	2841	6355	9713	9892	6848	3313	5816	2792786	1294	17288	49397	88225	0	6485	9992	8544	7180	23365	3370573	2473472	7307	318064	80525	8536	91255	105432	13753	2245	4317	6365	8486	16605	5918	2685	3015	6324	7119	7666	Lipid	0.125	1.75	0.0
26	C17 H32 O1	253.2526	253.25278	0.008320731	253.2526	12442	11194	10894	10437	2816	9159	164599	6089	0	1873	21390	3994	0	150281	6406	0	0	0	0	0	0	2228	0	0	0	31288	177277	35452	0	0	2723	0	2190	2325	2726	0	1720	5428	3812	3017	8796	10496	5287	0	0	5368	0	5487	3084	0	12378	11574	3274	0	0	23217	50356	2535	4223	13428	10426	7289	16348	0	314243	1535	10831	2767	16672	5494	7135	2703	3358	0	0	3786	0	3314	3073	34217	3696	9470	16416	48192	41762	50538	2643	7681	4651	2613	18659	16273	0	8638	5669	0	13614	12262	24148	38677	252219	0	4460	8953	5837	2129	76794	0	3221	2000	Lipid	0.05882353	1.882353	0.0
28	C17 H32 O1	253.2526	253.25288	-0.02045627	253.2526	20134	15880	17192	18121	15034	19177	17493	19384	15196	13575	23732	16215	12463	20467	16330	19159	18229	13097	13255	16468	15155	13191	16166	15195	19385	22590	18990	26546	19347	17504	16010	15489	14765	18503	14533	15020	14685	17552	16260	14440	15941	18599	22310	25430	33329	16153	16040	23371	17851	19499	21044	18802	19091	32115	15089	35925	84854	13402	20294	21276	14668	18380	12566	15526	70229	14273	17572	13850	30251	15990	13867	18349	17703	18940	18948	19857	33603	17580	12636	27933	14683	18602	20081	21305	80381	90035	10928	19008	18806	9386	22546	25759	11565	14008	13923	26454	19546	20854	28296	60891	281874	12953	20015	18572	18245	14391	146195	27089	16969	12380	Lipid	0.05882353	1.882353	0.0
12	C11 H11 O4 N1 S1	254.04816	254.0485	0.025434973	254.04816	10313	7374	9422	9383	9303	5011	4320	3912	4882	5151	3117	1772	8470	6518	952	7277	6318	13140	8897	2316	5774	11635	1767	10097	3492	0	4651	0	3715	2230	4312	3723	9446	3800	3650	1642	9991	3096	7532	6143	12540	4167	0	0	0	8017	7487	0	5135	1871	5840	7237	5747	0	3466	3139	2447	13979	0	0	0	3870	6347	2764	2179	10507	4097	7393	0	3114	0	1784	2164	0	4505	2155	0	1426	5936	0	2291	5652	4129	2942	3853	2647	11124	7865	3462	21654	17620	21376	16352	5580	16696	0	9055	6973	3556	3873	4870	9028	2154	6366	0	8716	4358	0	4127	10110	Organosulfur	0.36363637	1.0	0.09090909
6	C11 H11 O4 N1 S1	254.04816	254.04855	0.090701655	254.04817	1789	3875	1999	2982	4925	2227	1200	836	2543	2559	2122	475	6105	1638	1150	2419	2174	3422	3428	1632	2833	5517	1237	1969	772	613	820	0	0	1307	970	798	2088	601	3541	931	1946	1000	2629	1951	5301	1503	0	0	0	1622	4656	0	0	950	3372	2017	2692	0	3661	3046	1226	1500	1716	3299	1210	2854	2823	2224	945	3430	1521	2610	0	2514	0	0	0	0	0	948	0	445	1726	0	962	1255	1208	1465	2742	1623	2589	1998	1966	26112	0	2579	5435	3781	5426	0	1441	2260	1668	3975	4352	2715	1017	2426	0	2550	2112	0	1021	5359	Organosulfur	0.36363637	1.0	0.09090909
10	C11 H11 O4 N1 S1	254.04816	254.04851	0.06199992	254.04817	5689	6443	5742	4724	10783	4167	2234	2115	6683	3742	3472	1926	12472	2433	2494	6189	5396	8758	10200	3614	2669	9516	3941	4755	3358	1448	4106	0	2419	1763	2728	2001	4760	1748	4950	2925	4674	1759	5430	6763	14483	3561	0	0	0	4371	7746	0	2838	0	4576	8173	7350	0	5935	6022	3514	7526	3297	8360	0	4824	5665	4293	2365	5224	3726	5755	0	1392	3700	0	1811	0	2953	1477	0	1351	6793	0	4668	4224	4038	3620	6548	3705	6516	5467	5582	134400	10131	10127	11177	9512	10978	0	4135	3785	4455	6586	7143	3380	2016	3868	0	6724	5276	0	3808	11488	Organosulfur	0.36363637	1.0	0.09090909
14	C11 H11 O4 N1 S1	254.04816	254.04848	0.05120696	254.04817	6068	6565	6531	5323	6896	6172	3895	3883	3054	4151	0	3036	9939	4637	1337	9875	7895	9706	7968	2472	2077	9568	1208	3669	4420	0	3151	0	2662	1893	1681	0	7004	4680	3563	2348	8516	1736	8533	4155	11873	3365	0	0	0	3389	5139	0	3817	2206	7874	4853	5536	0	3745	2984	2937	10903	0	7186	0	2776	2490	2891	2321	8348	4825	6933	0	0	0	1825	2863	0	4174	1373	0	2076	5127	0	3159	2586	4485	3688	2786	3518	8963	9054	7498	18181	23834	19145	11735	5327	6739	0	5409	2252	3363	2985	2534	4056	1574	5010	0	8951	3461	0	4950	8669	Organosulfur	0.36363637	1.0	0.09090909
16	C11 H11 O6 N1	254.06592	254.06621	0.002991343	254.06592	10429	13522	13743	9970	18062	30861	9574	9702	14180	5518	2276	9673	31731	13254	9431	15352	18603	45017	25222	0	2485	10182	14852	13800	7235	0	7633	2198	8848	7783	9426	9955	16216	7775	6129	8765	24840	8048	12281	2602	3235	15055	1831	1597	1986	0	2148	1963	15167	6786	12716	16877	20328	2220	11127	8031	10255	16939	2483	5162	13812	1985	26842	18310	9762	26202	20256	22916	0	0	0	11013	9430	5962	10366	9402	1730	7967	16513	0	11525	2106	0	0	9650	9488	17162	21104	17916	0	5821	9727	0	4628	2456	2486	20359	12052	8550	12694	10155	17800	7859	6124	0	18023	10099	1784	8862	40972	Phytochemical	0.54545456	1.0	0.09090909
14	C11 H11 O6 N1	254.06592	254.06624	-0.006074469	254.06592	36480	39394	29721	33731	44614	43930	17294	30917	45872	10548	16780	24557	48082	31030	24789	23459	27219	71422	59602	1948	7021	35722	28203	27015	19597	0	18480	12390	22764	24935	24279	26548	53460	28031	14819	28476	61068	27558	33336	4812	6281	43503	0	1206	1316	6450	6112	1702	24366	20844	31481	25222	36679	1309	44156	20454	26534	43043	7276	5331	25199	4076	58961	51581	21576	65348	46207	28433	0	1762	3085	24745	28666	21415	23061	24589	1024	23867	19365	0	19944	4263	5219	1770	23881	19058	20946	53851	68192	42176	29093	37705	46289	9121	7179	1840	30473	21303	23897	24819	19052	35333	26404	9430	0	61234	19929	1475	19243	82626	Phytochemical	0.54545456	1.0	0.09090909
8	C11 H11 O6 N1	254.06592	254.06628	0.016392607	254.06592	50099	63385	39389	56619	88262	58723	23504	47971	92452	19755	23884	38433	141084	34436	36803	72634	60548	123965	134327	20203	30127	63028	45189	43027	18081	1368	31712	7975	39967	33563	40767	46223	73266	45573	32689	33309	74341	35535	72056	15458	29855	64716	2137	815	1156	20516	12926	1076	51198	38025	49214	59695	86175	1216	102100	57805	43526	58469	19616	27047	64433	13013	159366	116340	42070	117976	71158	74274	7928	5833	11689	39643	44678	27211	39590	37887	811	30422	41192	17342	29298	11041	11305	4374	62461	37733	41374	90662	90608	91847	15863	26631	93122	22946	20099	1295	53560	53224	57233	77295	59477	70428	37446	23650	0	63262	65096	906	28025	210496	Phytochemical	0.54545456	1.0	0.09090909
10	C11 H11 O6 N1	254.06592	254.06625	0.013276916	254.06592	46598	52398	43964	44780	87824	62043	28933	37551	86666	22332	22690	40786	133613	51647	34949	58087	59519	139443	118525	14478	27977	49757	52853	50881	22417	1683	35838	11419	40533	34768	37705	41680	83463	42319	29297	28450	85401	33343	72247	12285	21860	62739	2234	971	1945	16491	14361	1897	46715	35345	46502	57250	73964	1270	102455	58861	35265	65108	20953	26620	60870	7595	130690	108995	36423	121538	60590	65792	8680	7172	11867	35716	37342	26644	48266	35029	808	26922	48006	19572	33243	11224	10207	2557	62008	36658	43458	82788	79540	85369	10787	29398	81644	18635	18809	1890	45396	44858	43138	62373	57109	65192	38618	21928	0	59515	55747	1890	24898	194684	Phytochemical	0.54545456	1.0	0.09090909
4	C11 H11 O6 N1	254.06592	254.06635	-0.011913714	254.06592	7289	12213	8305	9994	20426	9593	2959	5566	21217	3822	4180	5600	34913	8591	3072	9115	7738	24275	21705	4865	5050	8673	7282	7887	3101	1398	3686	0	4644	5136	5726	5035	10297	4621	7530	5206	8497	3924	10396	4681	5651	12292	1605	745	1215	4859	5740	1183	5336	4591	9056	8393	15522	1285	19639	20771	9599	9913	3675	4625	7543	2401	40827	22235	11612	25187	10355	9157	2066	1617	1811	4010	4671	4949	4190	5972	640	4003	5933	0	4686	2742	2716	1652	20011	9024	6880	14941	18035	9114	3758	3350	11493	3382	3418	1524	7967	9461	17524	23943	21104	9447	4318	5946	3454	9473	16679	1118	3679	50185	Phytochemical	0.54545456	1.0	0.09090909
6	C11 H11 O6 N1	254.06592	254.0663	-0.005986371	254.06592	35769	35346	29172	37197	63275	33205	15259	20444	63771	15355	18204	20637	101843	23076	18104	41395	36468	98365	89242	13307	22570	34470	26618	28644	10070	915	17130	11252	21936	16784	21187	25243	47464	23922	19152	18698	42482	17020	48261	8902	14704	41018	1106	512	1135	11912	13020	808	30059	18916	36082	35953	58522	1264	65984	48089	29781	36222	11239	17929	34813	7056	118778	66209	26798	82823	39913	54129	5101	4711	6652	17826	17396	14336	19596	21637	568	14281	21792	7360	15787	5672	7295	2881	57119	28329	23096	65811	57247	60546	11884	15754	53043	11863	11132	882	31408	31599	36780	53287	59768	38398	20946	17628	0	35305	46249	696	13476	171635	Phytochemical	0.54545456	1.0	0.09090909
12	C11 H11 O6 N1	254.06592	254.06625	0.011470851	254.06592	43401	43757	44443	43352	56482	50722	22073	29529	58608	17758	21481	26783	79031	37233	28485	49572	39699	103665	96871	9159	12693	39750	39872	41586	21291	952	23467	0	27707	25316	26767	30466	56614	34265	24043	29939	75743	27401	46135	10110	17058	50058	1164	1316	1869	15850	11531	1731	34872	28133	42221	39823	52083	1384	64061	32855	33867	50632	8076	15992	46264	7215	118776	65168	27776	87193	53034	45587	0	5521	6145	31066	27337	27932	37920	30329	904	26283	34415	0	28962	7620	7274	1593	38650	27014	41106	59894	52118	65548	23106	35357	71202	19029	19163	2020	43851	44810	32011	39283	36529	57616	26076	15512	0	56389	37988	1402	23800	168269	Phytochemical	0.54545456	1.0	0.09090909
14	C9 H11 O2 N5 S1	254.07062	254.07092	0.03896467	254.07063	0	0	0	1465	3187	6467	0	2810	1237	0	0	0	2142	8260	3704	2839	0	1391	4871	0	0	0	6916	27670	18319	0	0	0	2176	0	4004	0	13273	3266	0	1742	7081	1085	0	0	0	0	0	0	0	6965	0	0	3563	1414	0	0	1275	0	0	0	0	1852	0	0	0	0	0	0	0	4627	3688	0	0	0	0	0	0	0	0	0	0	3116	3749	0	2313	0	0	0	0	0	0	1704	3424	0	0	0	15628	0	0	0	0	2673	0	0	0	10330	1093	0	0	11142	0	0	1599	1650	Peptide	0.22222222	1.2222222	0.5555556
14	C15 H11 O3 N1	254.08118	254.08147	-0.037716273	254.08116	3607	5140	4292	4596	1253	2815	26776	4254	1618	2807	1596	2903	0	0	2481	0	12573	2676	1970	5091	7725	0	2136	0	2910	4883	25274	0	7227	3536	3732	0	9502	5407	2836	4770	6232	2158	18002	2634	3223	9085	0	0	0	1528	0	0	8476	2925	4689	4647	3165	0	0	0	5758	3066	0	0	0	0	0	0	2357	1758	5992	19994	0	4897	8430	2949	4308	0	5707	5266	0	3125	3516	0	3443	2802	3253	3110	0	5893	2109	4429	4291	0	0	0	2615	0	4145	425	3736	3493	941	0	0	7350	5228	5158	0	2767	1242	0	3879	0	Phytochemical	0.2	0.73333335	0.06666667
16	C12 H15 O3 N1 S1	254.08453	254.08484	-0.010165421	254.08453	3024	4307	0	3769	2174	2169	0	0	1341	11673	4523	0	0	990	0	3023	0	3984	3243	9763	9097	14210	0	2115	1593	2550	0	5832	1939	0	0	0	2956	1429	7294	1827	1863	0	2737	12658	27051	0	0	0	0	6340	13165	0	0	0	2942	4120	1418	0	0	1084	1395	2519	4677	11237	0	9809	0	1467	0	1774	1861	3000	0	1446	4787	0	0	0	0	1561	0	0	0	12567	0	7684	4102	9399	0	0	2140	4257	2084	0	21755	23858	0	22890	19877	0	2104	2065	0	0	0	1981	0	6572	3486	0	0	0	1092	0	Organosulfur	0.25	1.25	0.083333336
8	C14 H11 O2 N3	254.0924	254.0928	0.09981119	254.09242	2480	3246	1808	1817	0	0	1876	5759	0	0	1065	2185	0	0	1735	9000	6100	962	1467	0	0	3699	1893	7515	2371	724	2441	0	3077	2600	2770	4351	0	4090	0	0	2970	1447	6351	0	1418	1744	0	0	0	2295	2637	0	4933	3126	1735	2922	1023	0	0	0	0	6505	0	0	7271	0	0	0	0	0	1125	5701	0	0	0	4721	2257	1421	3329	2612	0	1510	3723	0	4606	0	0	935	0	0	4181	3328	2420	24001	0	0	13084	0	0	0	3768	2747	0	0	0	4560	2042	0	0	6344	0	0	4314	0	Unclassified	0.14285715	0.78571427	0.21428572
4	C16 H15 N1 S1	254.0998	254.10027	0.2590653	254.09987	0	0	0	0	394	473	0	0	0	0	0	402	413	0	0	969	0	338	0	0	0	0	0	368	0	0	987	0	0	0	0	0	0	0	0	0	0	336	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	569	0	0	0	0	0	0	0	0	0	568	0	0	0	0	0	0	0	31290	582	0	0	0	0	0	0	0	0	0	0	481	695	0	718	0	0	0	0	0	0	0	517	758	455	0	0	0	0	0	0	524	0	277	403	Organosulfur	0.0	0.9375	0.0625
0	C12 H15 O5 N1	254.1023	254.1028	0.024219915	254.10231	9281	9175	9411	10202	16405	22754	5143	13822	13600	8105	4756	5310	23615	11541	7763	4921	5799	27417	20104	9368	15488	17181	8479	10711	5809	4015	3297	4475	15353	8369	11532	12221	20391	15349	12957	9331	15055	4516	6775	11686	5324	15993	3278	3930	5912	8893	4766	3055	13656	7944	8446	9487	19387	3470	14446	11457	6477	16816	5921	3689	8459	4185	21386	15841	5480	21118	16439	7462	6278	6442	5203	9911	14512	10699	3262	13147	4180	5544	5845	3397	4954	5840	4967	3129	8314	6493	4850	12726	20333	4948	10410	11858	14159	5354	5021	4789	7583	10504	8078	11106	11774	11625	5122	9582	5190	12737	9115	3654	4301	37910	Phytochemical	0.41666666	1.25	0.083333336
16	C12 H15 O5 N1	254.1023	254.10262	0.023648782	254.10231	43651	49134	45398	43002	50235	56767	47156	53983	44149	18161	23342	34536	57332	43368	41325	63876	50372	69567	78125	24806	25068	52340	47287	65484	55731	2570	36755	25620	58661	46932	52433	54024	83502	49094	36079	56453	86746	38154	55923	23004	32488	48398	5928	6289	8626	32722	17131	7376	64531	43596	48912	49962	56170	9015	40436	31986	39277	78199	25045	28686	60501	13985	48077	43348	26064	59939	51516	49784	5493	10398	14470	49350	48395	40666	41336	49428	7870	34323	36147	38649	34883	19040	25965	14924	37217	30855	58201	54651	58203	89224	48598	55560	88160	23599	33352	7773	45298	37166	32342	31597	42656	70374	37278	37119	11289	63089	36450	6280	46243	79876	Phytochemical	0.41666666	1.25	0.083333336
14	C12 H15 O5 N1	254.1023	254.10263	-0.006017291	254.1023	193249	181627	174301	195828	203093	165363	175464	226549	147737	99918	84632	139336	220229	108703	172295	244857	163182	295817	257067	88631	100119	193194	169347	218410	162367	13276	167119	71990	185957	181581	207665	269420	300692	259035	121852	209643	305499	145119	192287	98336	108428	168602	7995	5978	6657	87095	62334	6097	252035	173318	193973	180077	195573	6901	198744	104733	121543	320168	77270	94633	237703	53288	164098	174701	87378	233489	166696	188614	20229	46323	47191	225961	217706	173884	160069	204766	4906	147783	137514	99006	128360	54818	91394	54796	98734	109976	186580	240581	244822	240116	190283	188260	378278	66755	99215	8089	212570	170442	98464	97778	121122	279186	158913	124884	27656	297299	110027	5408	177371	244379	Phytochemical	0.41666666	1.25	0.083333336
2	C12 H15 O5 N1	254.1023	254.10275	-0.008295342	254.1023	74121	72204	58462	70705	131958	78720	51030	62757	97998	37937	42761	50717	188330	56604	38279	37024	86900	159295	130468	45247	67002	72426	41536	50630	35505	19632	20669	33872	84507	52349	75322	78303	122662	86965	67769	65538	88967	36337	90832	52317	46450	82047	3407	3219	5511	37778	33632	7270	72229	37701	65055	71400	107741	4483	99872	76216	49144	80992	31602	40734	40805	21170	178431	112126	48350	165724	93519	108885	22813	25855	29423	72372	88404	61664	34159	75146	3843	39900	48367	21445	40247	38934	42267	27270	94799	61982	46346	116186	120038	67505	36386	48348	73004	30620	23296	7927	70154	71797	66509	127161	120939	70823	51127	48782	27882	82603	92541	8565	48824	224211	Phytochemical	0.41666666	1.25	0.083333336
6	C13 H11 O1 N5	254.10364	254.10405	0.43969727	254.10374	294864	320239	261492	299759	345163	211111	175267	258565	366222	271980	199704	179094	445360	135569	185632	345211	278186	547146	507039	294694	394442	369212	201309	270793	123323	123307	166946	133911	252675	217391	242502	287239	398564	251789	331306	245349	400788	190283	401953	225216	370797	258937	8020	3450	4821	235348	296943	4461	289632	213267	316215	291941	315409	5625	435525	275097	187390	334651	206797	280953	299408	196807	442166	310289	137743	381452	279909	383581	187144	228902	309541	214997	225619	217613	218135	226112	3495	150733	165595	121912	139527	152105	190173	143360	241414	204303	203306	280964	300952	412637	183280	293426	435866	225654	283302	6443	286062	276531	204181	255016	269789	391699	196959	295939	125357	304574	281689	4134	135815	621312	Unclassified	0.07692308	0.84615386	0.3846154
12	C11 H15 O4 N3	254.11353	254.1138	-0.23402011	254.11348	4728	3946	4789	4630	3142	1964	0	4920	3847	1861	3348	1896	2589	2879	3944	4784	2288	4477	9041	0	0	6855	3617	7193	6966	0	2619	0	3375	2541	3723	5119	5652	3593	2014	3145	6574	4226	5430	0	0	3147	0	0	0	0	0	0	4222	1900	2573	4302	2978	0	3575	0	2536	4736	0	0	0	1788	3488	4758	1934	3605	3828	6269	0	0	0	2595	3165	3494	2844	3596	0	1466	5360	0	6104	1499	1567	0	2599	3320	8283	3165	4754	9169	20586	9054	12904	2697	1829	0	3938	2330	3148	1692	2022	3140	2561	3065	0	6401	3045	0	3436	4165	Peptide	0.36363637	1.3636364	0.27272728
8	C16 H15 O2 N1	254.11755	254.1179	-0.056371298	254.11754	4812	7122	3184	6711	2507	1965	1794	6478	2132	13331	12062	3073	1503	1338	2911	10210	6123	1887	5038	14703	17714	2077	4770	5536	4598	10334	3483	13774	4837	4687	4432	7566	6439	5473	13086	5562	6615	4033	8229	3814	4537	3646	0	0	0	2690	5548	0	9092	5639	4459	5875	3173	0	1164	764	1780	10737	0	1398	7924	1030	1499	905	1825	2391	4219	11269	4942	13287	11314	4850	4325	4146	5683	5097	0	3229	4517	2930	2992	668	544	2409	863	0	7009	5117	4047	21037	0	0	13596	3134	9373	0	7210	6261	1525	637	0	7417	2801	0	0	5490	0	0	4697	1574	Phytochemical	0.125	0.9375	0.0625
10	C16 H15 O2 N1	254.11755	254.11789	-0.0937819	254.11754	7469	5982	7100	6643	2776	4469	2070	7397	2893	19235	23937	4001	1128	2623	4397	9923	5938	3551	4063	21792	24695	0	4091	8133	5704	13150	3055	21035	6087	5189	3910	7012	8467	8567	12953	4058	8455	3913	6276	6210	6124	4611	0	0	0	3670	5006	0	8503	7989	4507	4047	3006	0	2492	1371	1476	6718	0	2948	0	0	1496	1138	1018	2339	5233	13145	0	12219	13877	6386	6973	3060	8778	4790	0	4257	3871	5515	3029	705	0	4915	920	1245	3858	5856	4813	15486	8588	0	10871	3461	14452	0	5551	4163	0	0	1171	7130	3134	0	0	11189	668	0	3148	1760	Phytochemical	0.125	0.9375	0.0625
8	C9 H19 O7 N1	254.12343	254.12378	-0.11489323	254.1234	116607	128664	126460	136489	52738	69367	4917	2097	11382	109938	157430	2476	62288	81804	4370	3070	1463	6667	22698	9907	15974	13580	2065	4660	8201	9130	3710	648451	5658	2017	3678	5671	2506	5862	108757	3132	2805	3361	1070	118745	2416	53782	11689	4973	4610	144339	21413	14758	2624	2378	118097	124192	22263	7087	36167	3144	172262	4298	693344	2794	12472	333986	137405	30304	340178	498956	835412	1681	76063	63822	54723	2031	2202	3724	0	2288	4184	2344	2076	795608	1467	127422	2671	1595	37262	167289	1394	30072	30786	0	147279	161063	1943	325515	78204	5293	118484	143974	31718	9435	94237	3154	1533	39613	4342768	1506	36432	16110	2499	6145	A-Sugar	0.7777778	2.1111112	0.11111111
0	C10 H15 O3 N5	254.12477	254.12514	-0.18594946	254.12473	3275	2846	3314	3216	16306	0	0	2954	4557	0	0	0	21453	0	1392	0	2229	4030	9879	0	1394	2869	2426	0	2194	0	0	1205	2351	0	2662	0	2147	2067	1133	3246	1584	1357	2159	0	0	5114	0	0	0	0	1505	0	1327	0	3213	2685	4749	0	3263	29339	3169	3022	0	896	0	0	6126	2608	3712	14340	4614	3896	0	0	0	0	0	2270	0	2820	0	1208	2396	1119	1689	578	0	0	8021	3408	2380	3255	4300	3554	1292	0	3216	0	0	0	3978	3725	7585	11808	21858	0	0	0	0	1866	17551	0	2452	15145	Peptide	0.3	1.5	0.5
8	C10 H15 O3 N5	254.12477	254.12529	0.15075652	254.1248	0	0	0	0	0	0	0	0	0	3382	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	796	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1046	0	0	0	0	0	0	132316	0	0	0	0	0	Peptide	0.3	1.5	0.5
16	C13 H19 O4 N1	254.13869	254.13899	-0.017717645	254.13869	68056	68235	74585	63958	63933	63863	71688	76108	44235	50008	41561	54069	53591	45684	65373	110269	111936	85097	81384	72354	74607	80627	51743	84014	75210	21813	63833	43281	91432	77628	80469	108513	133777	110129	63410	111128	125974	54831	107211	47408	64210	61944	7624	5675	6401	55937	57097	5578	112029	73057	67003	65634	69966	8779	51327	34151	37737	128400	51417	68051	107020	34750	38329	37716	33500	62110	63188	100764	15944	29737	28068	82539	97962	92501	98223	83828	5706	48269	51245	66569	44233	47847	65684	42360	39681	39718	79105	88643	72694	124243	99984	105897	125279	45255	68358	6094	61727	78874	38440	33060	44266	129509	47956	83412	32428	98973	53823	5906	57506	58543	Lipid	0.30769232	1.4615384	0.07692308
18	C13 H19 O4 N1	254.13869	254.13898	-0.003554344	254.13869	26780	26778	27168	27949	34182	83916	30177	35279	18469	12185	12952	18772	29289	27724	23984	41198	47894	35949	35753	21059	17700	32305	22351	34271	24767	3415	29006	20318	41002	26545	24775	35200	47751	38563	13154	35716	51378	18327	42052	16225	19965	48164	8044	5654	6361	14178	16594	5547	40016	25990	26843	23412	35301	6230	23871	17511	25767	47009	18924	23384	41388	9607	14682	16408	16857	28963	29814	49050	5909	0	7442	28230	28774	27830	31314	35261	5665	18989	21165	23784	16812	15042	20814	9959	23718	19692	28648	34471	26641	39284	50314	45475	42288	13981	19919	6430	23722	28536	29475	17385	22487	50007	19277	29716	12293	30200	26970	5033	24642	18242	Lipid	0.30769232	1.4615384	0.07692308
10	C12 H19 O3 N3	254.14992	254.1502	-0.17004868	254.14987	3965	3340	5567	4758	1980	1876	4632	4804	0	1605	0	4060	1538	0	4422	7397	7539	2217	2525	2820	2805	7308	3179	6340	5931	0	5673	2774	2827	3514	4164	5438	7131	5316	1494	4632	4315	2952	8941	2588	4767	2642	0	0	0	4059	2862	0	5160	5710	5551	6500	1601	0	0	974	954	10082	0	3317	0	2608	1187	2802	1620	4132	3054	8934	0	0	1859	5797	4242	4916	6113	5946	0	3456	7432	4848	5733	3717	7452	2551	1289	1940	8207	3604	2537	17661	12148	6734	14245	3152	3787	0	3929	5470	1225	1953	1724	7481	5024	34475	0	5011	2268	0	6165	2546	Peptide	0.25	1.5833334	0.25
2	C17 H19 O1 N1	254.15395	254.15434	-0.10189153	254.15392	4295	4471	4569	4349	0	0	12566	43182	0	0	0	10216	0	0	24714	52826	873	0	0	672	0	0	1917	8349	451	0	35612	0	2854	9183	7776	6455	1097	4503	0	5270	2143	24340	836	0	0	0	0	0	0	654	0	0	14269	69578	3792	3131	0	0	0	0	0	19283	0	0	42456	0	0	0	0	0	0	1840	0	610	0	32499	5364	4326	2535	6524	0	16427	349	0	479	0	0	0	0	0	0	0	672	0	1484	0	0	301	321	0	4187	4508	0	0	0	2116	11762	739	0	2714	0	0	0	0	Phytochemical	0.05882353	1.117647	0.05882353
10	C10 H23 O6 N1	254.15982	254.16011	-0.09747778	254.15979	210964	189705	199289	201372	3246	3416	1767	0	2061	18680	267780	1769	16823	4121	0	0	0	0	0	0	160397	0	1349	0	1996	1494	982	5765	0	1496	0	0	0	1134	1316	0	0	972	0	253193	4355	1860	14229	5479	4062	132407	22676	5619	0	0	177453	163549	2698	4976	1029	1732	17499	1838	1396764	3109	0	1156179	34856	1590	31117	81923	74380	0	0	2416	1810	2569	1539	1993	0	1355	5534	1064	0	0	2105	2967	1173	2702	5558	13985	943	1960	1266	0	7752	72352	0	78015	8654	4877	185729	238122	2413	1431	11989	0	1429	10425	21932099	0	1822	5914	1859	0	Lipid	0.6	2.3	0.1
6	C10 H23 O6 N1	254.15982	254.16017	-0.18799786	254.15976	8128	5826	9114	8650	1303	1754	2068	3664	1183	9009	16375	803	1307	1454	2316	2425	2049	2551	1478	41460	10356	11528	1377	7443	2167	6074	2341	107394	2917	2484	1189	0	0	614	2346	1662	1278	1113	887	18633	4998	2066	5144	747	2528	75496	129861	1048	1334	2649	8749	9938	643	3758	1750	1822	808	2829	7720	9791	10922	28160	1055	0	845	1886	1445	2888	96747	82544	244497	860	0	3551	0	659	3816	980	1751	170142	1044	3771	1932	0	1560	3109	1075	1246	0	0	17499	28494	2052	16607	49303	623	7741	10755	1587	479	2591	1675	996	47077	43283	0	1050	1117	1627	720	Lipid	0.6	2.3	0.1
4	C10 H23 O6 N1	254.15982	254.16034	-0.16479684	254.15977	4381	4060	2866	3638	0	510	1096	999	429	3970	3115	393	374	0	754	1080	0	0	0	19904	3166	5052	601	3107	451	1674	0	26502	0	0	0	0	0	0	1763	986	0	0	0	6726	4237	706	0	0	611	25267	55651	0	0	635	3639	2843	0	629	567	562	0	1487	1116	2898	3755	8085	491	311	0	633	251	0	19624	20277	92335	0	0	1329	0	0	1645	0	419	57861	0	1037	0	386	0	463	0	879	0	0	10713	12484	800	4716	21028	0	3930	4336	0	0	633	0	0	17443	15692	292	619	280	434	0	Lipid	0.6	2.3	0.1
2	C11 H19 O2 N5	254.16115	254.16158	-0.12144822	254.16112	10509	9701	11905	12486	0	0	17970	16023	0	1946	1712	11559	679	413	10062	8339	21207	1106	2313	2646	2646	46194	7897	11138	10374	0	6519	3058	10759	6728	10930	10574	15629	11351	3513	8596	18120	6968	22960	1265	844	0	0	0	0	4059	2371	0	10847	8140	10240	10117	1183	0	354	0	1953	22705	0	0	9970	342	399	691	0	1242	3526	21815	0	2164	1699	10879	9736	6913	12956	7761	578	12061	8032	10177	6418	0	0	1269	0	2982	8849	4943	2828	155012	3873	2539	165585	1525	12405	0	13849	11068	0	412	0	9926	8843	1563	778	91480	0	0	20270	0	Peptide	0.18181819	1.7272727	0.45454547
22	C14 H23 O3 N1	254.17506	254.17535	0.009005228	254.17508	14441	11382	12959	13317	18734	16481	8301	20929	4846	13115	8675	11791	8130	52425	13181	21029	17800	21609	18661	16387	19451	13544	8109	18471	19354	0	10101	15430	21250	13869	16664	27934	36713	28717	17096	28536	36445	7282	17017	3843	2437	27407	0	0	1115	10128	10746	0	19785	14121	14151	15121	15678	2146	7184	4582	7982	28613	7637	11871	31758	3168	9011	7613	7577	13889	39675	14015	0	0	0	17260	17253	24580	12541	21939	1242	11869	4179	15201	4800	5856	7590	0	7348	12526	18650	50716	20573	13595	24309	24750	10606	7866	14938	0	10584	16030	5211	5588	5257	37043	12730	12703	9765	33103	8293	0	10621	5710	Lipid	0.21428572	1.6428572	0.071428575
14	C14 H23 O3 N1	254.17506	254.17537	-0.04521588	254.17506	10625	13792	8648	15269	10108	5194	9995	5772	2558	8239	7131	6986	7094	9548	4966	17086	13290	7911	7614	10101	17963	15685	5039	7760	7371	22012	11630	8726	9877	8647	6982	14323	14545	16967	9816	10924	12873	3805	19918	13860	17828	6501	0	524	353	8876	18554	688	16996	9845	12769	12889	5940	775	3809	4924	4026	20363	0	13047	0	4883	5634	5196	2633	7786	8019	20568	0	15700	18017	12472	12980	8568	14624	14095	357	6197	7228	0	6078	8983	17005	21337	7143	4547	17482	6154	4221	37962	28830	19363	15216	11141	22206	582	11889	11862	3985	6380	13447	9780	5532	11950	0	11066	7264	359	9976	3604	Lipid	0.21428572	1.6428572	0.071428575
16	C14 H23 O3 N1	254.17506	254.17538	0.01481759	254.17508	18609	23494	19271	23415	21581	12597	16935	21346	8017	26999	24014	11748	10655	15698	10054	44510	43700	20829	18404	58287	58497	26300	10918	23238	14858	44081	18855	23380	24881	26024	20986	31195	24832	28399	26416	29835	25351	10612	45483	21264	32892	18428	1476	615	416	32322	55675	851	31984	27340	27872	21364	17821	1436	10210	11928	7356	48449	13584	34912	41684	12843	11965	8677	8241	21309	18512	32550	33068	25526	37808	21858	22561	29574	36055	28869	625	14309	15784	40041	5779	22056	20650	21535	15262	12472	24992	24036	22199	46014	64384	61985	0	35662	58046	1053	27815	27643	10896	13858	21783	26962	12691	33257	19052	28810	19938	425	12998	8649	Lipid	0.21428572	1.6428572	0.071428575
12	C14 H23 O3 N1	254.17506	254.1754	-0.053771473	254.17505	10116	10848	12909	10692	5742	5410	10723	7293	2701	9650	8240	4094	2956	5210	3765	18679	10754	7017	8429	11992	15511	12904	2541	9523	5623	15078	6976	0	8587	9189	8661	13119	9371	9372	11133	13923	13204	5521	15389	11612	15875	5335	602	0	438	9903	13389	583	17845	12136	12687	9429	7245	646	4305	2186	2980	18606	0	9584	0	5547	4418	3357	2950	5759	5476	14224	0	11942	19770	9026	11858	12071	18490	10876	353	6823	8221	0	3878	5950	8666	13405	3749	4944	17030	6070	5344	25209	22172	14756	13437	7605	19148	789	9873	9165	4032	4323	5843	13255	3478	14269	0	11049	4312	405	6284	4552	Lipid	0.21428572	1.6428572	0.071428575
10	C14 H23 O3 N1	254.17506	254.1754	-0.048769996	254.17506	14982	12405	11441	9602	5788	4705	4461	16091	2782	20821	9105	7334	4555	3662	7212	21005	13853	5987	7770	20221	21664	19798	7676	21937	7960	20734	9104	8568	12277	11275	10357	14503	15486	12700	19657	11158	14718	6437	15737	12833	20200	5060	589	0	340	12723	16279	0	14667	14924	13374	13855	5747	640	3014	5015	2845	16420	0	10370	13964	7484	5361	3604	3466	8890	6231	21976	14272	19888	24565	14310	11280	9970	12217	11348	0	7909	8630	9205	6548	5315	4611	12145	4619	3526	14366	6937	4905	30214	24764	12749	23636	11420	21541	0	12591	12788	4319	5850	4287	13227	7075	15695	0	10351	4033	0	9195	5666	Lipid	0.21428572	1.6428572	0.071428575
20	C14 H23 O3 N1	254.17506	254.17534	5.83857E-4	254.17506	20514	27946	29076	22664	30888	23707	16421	22445	14622	63202	39349	12956	18568	26737	13069	41786	50384	21802	20686	68296	80347	37890	10325	21665	17157	2263	18217	44700	29423	24373	15623	34583	42543	42471	65907	32465	40611	11857	50297	15742	23547	27045	3905	942	880	25317	32993	2115	29194	22537	32264	24985	23840	3025	17338	11050	19981	42914	17003	26713	33597	10899	13814	10465	11721	26427	34774	44613	0	2792	6219	17180	35099	27115	42086	31278	1036	11793	17820	47091	7796	15657	19601	9388	9688	15031	26277	25356	17255	39701	65470	56291	24100	42237	51675	1293	27531	26245	20432	13190	23522	53062	12772	33332	24388	36424	25964	1070	15340	16834	Lipid	0.21428572	1.6428572	0.071428575
8	C13 H23 O2 N3	254.18631	254.18663	-0.084458984	254.18628	11510	10575	11255	11723	0	1157	3257	52493	0	3780	0	87577	0	0	18299	21627	12468	1373	2343	4399	3053	4068	2773	4271	4266	0	5684	1619	34364	68258	62431	67856	30293	14074	4013	77718	34741	3860	13147	2470	1637	3175	0	0	0	1821	1573	0	33487	64812	11277	10953	1537	0	0	0	2237	16358	0	0	13407	0	0	1162	0	0	2675	17122	0	2106	0	11460	32335	71446	34643	87646	0	89929	2080	8369	2265	0	0	1227	0	0	1927	1561	3154	7721	0	0	9840	0	2479	0	10921	11941	0	0	0	34672	77028	2888	0	23814	0	0	2651	0	Peptide	0.15384616	1.7692307	0.23076923
10	C13 H23 O2 N3	254.18631	254.18661	-0.0384581	254.1863	5471	8923	9901	10392	1110	0	6181	17415	1239	2803	2232	5793	0	0	5404	36757	42277	0	1469	2122	1491	2253	7645	15398	8129	0	7174	0	32132	27917	134010	11467	37882	13492	2344	18496	48470	5715	46255	2220	1514	922	0	0	0	4922	3025	0	100950	16542	8071	11304	1803	0	1694	0	878	34194	0	0	21121	0	0	927	3283	0	1552	43208	0	1599	0	14892	23376	7058	10493	34642	0	3890	6096	0	5278	860	0	1830	1053	1476	13277	2567	3257	4771	3987	0	8506	1683	4459	0	9659	7757	0	0	0	33633	4480	2554	0	14234	1441	0	8659	0	Peptide	0.15384616	1.7692307	0.23076923
12	C13 H23 O2 N3	254.18631	254.18642	-0.16491124	254.18626	0	2615	0	0	0	0	0	1593	0	0	0	0	0	0	0	1806	2377	0	0	0	0	0	1196	0	1309	0	0	0	0	0	38502	0	0	0	0	0	0	1217	2461	0	0	0	0	0	0	0	0	0	2417	0	0	0	0	0	0	0	0	3392	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1346	1548	1110	0	0	0	0	0	0	0	0	0	0	2129	0	0	9375	0	0	5032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1355	0	Peptide	0.15384616	1.7692307	0.23076923
6	C13 H23 O2 N3	254.18631	254.18663	-0.06129721	254.1863	5314	6036	9414	6840	1582	3078	2986	11860	0	4405	1548	3969	1745	0	2247	18017	7030	935	1145	5759	5765	5566	3826	42798	6021	0	3263	2210	8930	9547	8874	10637	8219	23488	6564	8784	8566	3986	6954	9980	4297	2596	0	0	0	10020	5105	0	14015	8952	6811	5955	1000	0	0	0	859	13771	0	3179	32159	2556	0	0	942	0	2715	8561	0	0	0	41774	20195	8968	7272	8999	0	4801	3025	2813	3666	1213	1183	3192	537	0	3882	13538	3115	15779	5159	2623	14074	3420	9426	0	7873	4907	0	0	0	7520	4393	9875	0	13735	0	0	5742	1033	Peptide	0.15384616	1.7692307	0.23076923
24	C15 H27 O2 N1	254.21146	254.21172	-0.008785328	254.21146	6632	8243	6688	3817	4716	3825	7506	8869	1260	4098	6383	4770	4983	4754	4108	9821	40780	0	1415	2443	4127	2225	1683	4916	1335	5184	13721	8193	0	9480	5345	8499	12795	3650	0	5526	3620	4392	39248	3640	14734	86095	12730	4307	0	9886	33901	3101	7502	12884	4618	6851	2252	12697	1523	1012	1456	5147	2336	28365	5704	2276	2426	1612	2873	4460	8473	68086	5595	0	6447	7194	8381	5671	17598	9006	8855	3283	2816	34147	5534	8727	5655	10319	4059	5840	5475	5055	5860	24226	7013	3024	6477	2782	4588	3707	7119	8021	2240	3578	6479	11419	4496	11674	6257	12867	4331	3527	4384	3012	Lipid	0.13333334	1.8	0.06666667
8	C15 H27 O2 N1	254.21146	254.2118	-0.08621083	254.21144	45691	46594	42679	41619	11667	8751	25268	73200	3692	29356	16748	42403	11781	11064	46156	133853	49321	20503	42766	27605	23172	40176	78040	131638	51425	14374	32684	11245	35797	36398	40353	44736	71598	33977	38227	57431	83570	49286	57300	14762	2561	10815	0	0	0	26120	17540	0	52507	54850	46918	43502	10665	0	5489	7932	7478	97137	0	0	86259	4117	5558	5234	10659	14053	12032	74385	9205	24502	21117	56163	37507	37854	48803	33556	0	47320	81763	27392	91660	1524	866	12815	3861	5377	150209	13315	23893	328783	73562	0	227299	18944	30965	0	42630	43647	6884	4667	5075	57007	39222	17521	0	81875	5299	0	66211	10601	Lipid	0.13333334	1.8	0.06666667
26	C15 H27 O2 N1	254.21146	254.21146	-0.13789774	254.21143	0	0	3109	2157	0	0	2733	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1941	2142	5647	0	0	0	5297	0	0	0	0	0	0	0	0	9772	0	0	0	0	0	0	0	0	2653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8697	0	6692	0	0	3154	64041	0	0	3901	2927	0	0	43849	0	0	3325	88102	40337	0	6623	0	0	0	0	5838	0	0	0	0	0	0	2277	0	0	0	0	Lipid	0.13333334	1.8	0.06666667
12	C15 H27 O2 N1	254.21146	254.2118	-0.019912092	254.21146	4357	7871	5563	5095	4791	2335	4725	5499	2075	10481	4525	4277	1649	7762	45475	18684	4888	3069	5686	10519	8829	0	2812	3573	7206	1914	4987	0	6762	4010	12918	6496	31733	9305	15466	6773	23547	46198	5913	10367	0	3520	0	0	0	3892	5610	0	7587	4125	6108	5404	4600	0	0	0	1934	17089	0	0	0	2337	2009	2457	2822	8863	6184	7866	0	4956	5199	5776	8814	4183	6195	5288	0	6042	6958	0	3041	0	0	9048	0	7856	24599	4680	5656	38391	38107	0	15500	4291	13239	0	6376	9105	3546	1055	1327	19700	5776	0	0	13120	4382	0	5471	0	Lipid	0.13333334	1.8	0.06666667
14	C15 H27 O2 N1	254.21146	254.21175	-0.04363041	254.21144	3958	3207	1438	2862	3475	3077	0	1588	0	4769	2585	1415	0	1525	2916	4601	4514	0	0	5908	5747	0	1897	4529	1622	1775	985	0	2521	2026	2573	0	4204	3043	5648	1983	1721	1086	4775	8538	0	2149	0	0	0	3893	9656	0	2985	2294	3092	1587	1062	0	0	0	0	6671	0	0	0	0	0	0	684	0	3315	5003	0	2065	1577	1284	1615	1709	3916	3055	0	1525	3264	0	1876	0	0	14717	0	0	6703	2534	4091	15265	33963	0	12312	0	6048	0	1508	2734	0	0	0	2418	0	2577	0	4000	0	0	2032	0	Lipid	0.13333334	1.8	0.06666667
10	C15 H27 O2 N1	254.21146	254.2118	-0.058281608	254.21144	17747	13911	15505	13692	5759	7151	7836	13294	3755	17624	7168	7518	4344	5227	7741	27516	5971	2377	10653	21022	14587	18415	6768	15817	19280	6408	9254	10150	18560	12493	22769	22810	20193	11905	24487	15842	17262	6799	7665	17255	2678	11525	0	0	0	8992	6946	0	19225	9346	11980	14171	8285	0	2326	1291	3608	31546	0	0	27309	5290	2661	1926	5052	5409	10517	9665	0	9428	9031	14558	8841	9620	11127	12531	0	7490	17765	6663	10081	0	0	12187	1563	5434	35042	9246	15027	105633	51492	0	69987	14913	21800	0	12835	11126	2971	1094	1463	13902	6900	8884	0	52559	1798	0	15799	4272	Lipid	0.13333334	1.8	0.06666667
8	C16 H31 O1 N1	254.24785	254.2482	-0.053405818	254.24783	0	901	0	1960	0	0	6753	2082	0	0	0	5412	0	0	4597	2193	1962	0	0	0	0	0	3804	2032	3439	0	12576	0	1024	1995	827	937	2142	1237	0	1244	1627	7382	0	0	0	0	0	0	0	0	0	0	1105	1708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3817	0	0	0	2119	3260	5075	899	3161	0	6788	1406	0	20468	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1925	1088	0	0	0	2746	6355	0	0	1395	0	0	3594	0	Lipid	0.0625	1.9375	0.0625
24	C9 H6 O5 N2 S1	255.00702	255.0072	0.15865321	255.00706	1351	0	2105	1707	0	0	0	0	0	0	0	2385	0	0	0	4094	2223	0	0	0	0	6231	3929	7756	0	0	0	0	0	0	0	0	1192	0	0	0	0	1322	1701	0	0	0	0	0	0	0	0	0	0	0	1040	1540	0	0	0	0	0	4424	0	0	3849	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	906	7272	0	4682	0	0	0	0	0	7516	1430	0	37018	0	0	23589	0	0	0	0	1831	0	0	0	0	1645	0	0	9043	0	0	4885	0	Organosulfur	0.5555556	0.6666667	0.22222222
16	C11 H10 O5 S1	255.03217	255.03249	0.07624289	255.0322	4907	7161	5274	4570	16707	13498	3338	2506	8357	0	2068	2135	22932	8107	2053	2530	1900	37019	23564	0	2140	2385	3818	4110	5074	0	2586	1911	2571	1656	2302	0	7098	2969	3468	2298	3354	2092	4720	0	0	5991	419	0	0	1677	0	0	3861	0	4795	4999	13941	0	13983	5534	5201	6220	0	1807	0	0	9538	8579	4964	14995	9423	5388	0	0	0	0	1262	0	1661	0	0	0	4408	6790	2393	0	1545	0	8844	6012	4794	11635	13484	0	7724	9529	0	2281	5045	0	4214	3680	8282	6457	9146	2839	1346	0	0	0	7954	0	3115	21268	Organosulfur	0.45454547	0.90909094	0.0
14	C11 H10 O5 S1	255.03217	255.03253	0.06872635	255.0322	6037	4385	4932	3449	20075	13363	2313	0	11061	4780	3624	1636	23109	9521	3189	5663	2846	30852	23887	3234	3750	0	2786	4784	4327	0	2002	0	2659	2542	2622	0	6049	2609	6125	1547	7101	2925	2765	2589	3494	8910	0	0	251	2445	0	0	4393	1380	5885	5562	14857	250	9420	6743	4225	8340	0	0	0	2267	4717	7831	2906	13915	7718	2235	0	0	0	1956	0	0	1698	2264	0	2374	2662	0	1197	1619	1881	1341	12043	5146	4225	10670	11287	0	15149	14466	3082	7731	7694	0	3562	5508	9876	8212	7846	6468	1750	3099	0	3730	8479	0	2256	18860	Organosulfur	0.45454547	0.90909094	0.0
12	C11 H10 O7	255.04993	255.05028	0.043793786	255.04994	23821	19663	23198	20573	65634	43341	8729	8017	80255	2654	8655	11429	122959	47453	15291	12321	8673	92921	89639	4675	6870	8616	17584	5797	4567	0	5055	0	6666	6412	10210	8071	19702	6292	8952	6475	22701	10350	9145	4895	4532	27612	1399	866	1772	5228	5992	2586	11222	7063	21985	23062	48119	1298	82733	53394	24703	12651	0	0	0	4628	142271	72312	21699	95271	35189	9817	0	1343	1640	5945	7108	5962	7443	6682	1196	10483	15213	0	14749	3969	2230	909	53825	28038	18916	24284	35880	15039	5574	8343	8644	10075	3457	1516	19864	21184	39279	61729	55114	13882	12847	4301	0	10412	48098	1563	4943	167883	Phytochemical	0.6363636	0.90909094	0.0
14	C11 H10 O7	255.04993	255.05026	0.052769735	255.04994	11900	10607	12746	17738	39310	31339	8352	4548	49454	2162	3206	8641	75456	32763	8850	6807	4575	61050	46769	3335	2446	5797	17323	3121	6138	0	4352	0	7143	4743	6068	0	14491	5265	6179	4515	14616	9685	5722	1922	0	19530	0	1024	1705	3777	0	2385	6537	5966	11478	18063	33485	1438	54947	33036	20708	6773	0	0	0	1665	79900	52252	18024	56524	23757	6836	0	1701	2313	6775	5202	5103	3329	5867	1354	7840	12303	0	11984	2938	2305	1449	41112	21551	11641	16080	26154	7542	6294	5582	5026	6694	3511	1585	15394	13136	26388	41315	42465	9123	8026	4181	0	9198	26818	1439	4913	91616	Phytochemical	0.6363636	0.90909094	0.0
10	C11 H10 O7	255.04993	255.0503	0.060996436	255.04994	24851	22570	22513	23101	90857	52371	9112	7773	99716	5224	10544	12667	170623	59576	13040	11045	12212	119862	103837	6258	10249	9254	18304	6443	4341	0	8051	0	10088	10228	10790	7063	18595	7703	11068	8668	20748	9958	11028	3263	4430	30793	2276	1041	1299	3516	4213	1703	10340	5207	27327	23008	56461	982	90084	70262	27505	13965	4637	6329	0	3465	166086	102215	29144	115164	38174	13462	0	0	1570	9283	7732	8170	7086	8383	1741	10297	20797	5346	12965	4249	2657	0	90645	36460	16642	32603	42492	8562	7427	12267	9840	9472	4025	2303	21725	25539	63853	98737	91059	20859	12732	4884	0	10764	62988	1184	6563	191654	Phytochemical	0.6363636	0.90909094	0.0
6	C11 H10 O7	255.04993	255.05032	0.026313478	255.04994	13683	16883	11897	12579	54340	18204	3741	2412	45321	3810	4025	5224	89015	22627	4438	6223	6485	53617	50639	3022	5083	4108	7208	2942	1628	0	3436	0	3905	2476	4414	3474	8356	5184	6274	2838	8411	4185	6169	2008	3127	14469	853	313	958	2097	2698	909	3595	3240	14284	11266	32150	1064	38129	50440	18669	4236	3894	3711	5341	1330	91699	43736	13665	66642	17845	7609	0	0	0	4166	4378	3610	4560	3876	610	2944	7626	0	6044	1527	1227	0	57419	14988	8482	21375	23605	4858	3355	5283	2360	4520	2698	758	12170	11459	29729	82153	83196	10501	5551	3722	0	5265	42291	590	2058	104733	Phytochemical	0.6363636	0.90909094	0.0
16	C11 H10 O7	255.04993	255.05025	0.05556958	255.04994	6210	8722	6031	4466	22715	13436	3320	2802	22613	1651	2567	3483	31807	18217	5477	8860	4129	27683	20125	1796	2544	3113	7437	4402	3250	0	3641	0	3379	5285	4884	0	5963	4798	1712	3433	9465	5632	4336	1611	0	8543	1876	1239	1957	0	3268	2880	5218	5097	7571	5337	12612	1165	20362	14692	10008	4984	2384	1433	0	1689	36340	21922	6579	26805	11694	3962	0	0	0	3954	3751	4348	3450	5528	1273	6352	7602	0	5126	4346	0	0	21905	11961	10638	8553	11881	0	0	2341	0	2891	2619	1988	5416	6493	12293	20202	20387	7797	4768	2681	0	0	13183	1865	3057	46806	Phytochemical	0.6363636	0.90909094	0.0
4	C11 H10 O7	255.04993	255.05034	-3.05107E-4	255.04993	3652	4027	3262	3476	15463	4601	944	1843	12280	0	0	1705	27486	6568	1282	2038	1604	12782	12268	1906	1946	2322	2752	1955	691	505	1073	0	1244	1467	1270	1237	2399	1302	1906	993	2725	1134	1026	985	1003	4086	0	494	1196	0	1214	986	1850	955	3801	3723	8483	783	11142	17454	5314	1931	1067	1356	2273	0	26227	13029	4939	18455	4289	1596	0	0	0	1129	2073	1119	0	2065	776	1194	3218	0	2632	1011	668	387	18585	5509	2908	5473	5784	1272	1320	987	1007	1158	0	1292	4385	4152	9995	31638	26484	2336	1762	1228	0	1742	11490	631	683	32313	Phytochemical	0.6363636	0.90909094	0.0
10	C10 H10 O6 N2	255.06116	255.06151	0.09238753	255.06119	6134	7760	7123	6623	8310	7957	4397	4136	8154	0	0	8951	8570	4157	3862	10210	15175	15046	12454	0	1511	3724	6018	6256	2724	0	4116	0	4631	5228	5315	4957	11514	5718	1773	5048	13083	4911	19979	0	0	7382	0	0	0	0	0	0	8819	5423	3723	3655	9079	0	5158	3620	4595	7900	0	1725	12269	0	12838	12076	4048	10836	8467	20436	0	0	0	3952	5487	1661	12038	5281	0	4630	9452	0	4638	0	0	0	5072	4176	7282	12236	10102	12719	0	0	11428	0	0	0	6244	5221	4049	3877	2377	11085	5127	2306	0	10508	3434	0	5141	26347	Peptide	0.6	1.0	0.2
6	C10 H10 O6 N2	255.06116	255.06155	0.031309757	255.06117	3970	6192	4892	4828	9582	6439	3027	4115	10843	1520	1495	4378	11944	2765	4734	7139	5665	17234	16127	915	0	8306	5862	7730	1757	0	1945	0	2969	3644	4381	5242	8468	5021	1741	3022	7792	4096	6684	1474	873	8575	0	0	0	0	0	0	4478	4228	5741	6871	9392	0	9129	5318	5526	6515	1119	1315	6884	0	21959	8648	6601	15317	8948	8676	0	0	0	4173	3157	2557	4409	2278	0	2430	3405	0	3076	468	827	0	7926	5562	5512	13503	10961	14725	0	1846	10884	0	1197	0	5205	5089	6092	6238	6345	9355	3689	1738	0	9665	6592	0	2759	30501	Peptide	0.6	1.0	0.2
8	C10 H10 O6 N2	255.06116	255.06154	0.040385105	255.06117	7109	7202	6196	6290	8981	7201	5681	7332	12141	974	2574	9274	12716	4533	5464	10593	11906	15339	15849	1578	2546	6759	6349	7985	1311	0	3891	0	8872	6116	7177	7597	10466	7488	3140	6324	12162	5606	13093	0	1158	12240	0	0	0	0	0	0	10404	4492	4795	6768	11529	0	8881	4085	5667	8578	1048	2290	9018	0	20664	13826	7222	16002	11527	15631	0	0	0	4955	6397	3975	8475	6315	0	6349	5845	0	5269	1027	786	0	8174	4326	6723	15688	13040	13168	0	0	12789	0	0	0	7855	7452	6515	6722	4651	7197	7818	1653	0	12296	4598	0	3802	30482	Peptide	0.6	1.0	0.2
14	C15 H10 O4	255.06519	255.06552	0.05165582	255.0652	17504	17750	15197	14508	22638	11580	9507	10683	19965	24744	23784	6609	20250	12688	11285	16993	12986	25675	34947	20231	22337	31043	13796	16445	14074	17481	13096	11673	8542	8381	9479	14017	16166	11107	29196	8595	13507	13289	14714	13777	17203	12222	0	1374	1590	10921	8305	2422	12350	7989	15942	18726	17469	1697	19543	14828	13322	14809	8734	8075	23618	8147	18512	20297	12629	20493	12751	13203	0	16105	18693	8587	9978	5754	9350	9787	1288	9525	21532	15366	18682	13433	9934	10050	19656	12530	19682	16832	20446	30980	24271	18164	24699	19761	20361	2800	13482	14510	16983	18492	17068	14239	13422	12270	0	13669	11007	1703	16055	14503	Phytochemical	0.26666668	0.6666667	0.0
16	C15 H10 O4	255.06519	255.0655	0.03353589	255.0652	31376	27670	21373	22773	28726	22147	20481	19625	24829	24748	19918	20522	39623	23286	26262	43632	33476	91098	114599	23300	22642	29360	34850	32169	28264	20241	18762	14799	15815	15069	16960	19552	29989	11332	28022	13762	24437	22896	39075	23070	19806	24364	3168	1473	3110	18910	13803	2853	24033	15086	26134	28104	31537	2290	20363	18620	18514	46195	7923	13736	26801	9858	26289	17649	17894	39224	28070	29589	13793	22465	25653	15918	10967	11382	18367	18322	2054	18176	36318	28541	26751	17215	12834	10447	32831	22962	63433	60138	62559	39403	25133	19436	0	23972	25586	4339	27310	22243	22450	22242	25784	35753	16253	12899	10550	29883	18669	1818	36576	32317	Phytochemical	0.26666668	0.6666667	0.0
18	C15 H10 O4	255.06519	255.06549	0.034591828	255.0652	26200	30390	20769	18015	32706	17079	14822	20163	21641	22707	16619	12477	35973	28772	17691	41455	17430	60828	92597	21604	16495	29827	28872	24082	22280	13421	15529	13717	11290	13041	13635	11366	17237	10850	33705	9416	22925	15961	18081	14182	14941	20306	3564	2049	2734	11937	16085	3221	15508	15444	29038	24989	26758	3111	20472	16569	16517	41759	8358	12358	24902	10121	29936	16336	17435	30197	27130	16462	10120	17261	21373	14613	10034	5972	8988	16433	1860	13408	37883	25906	25011	15513	9799	11316	26584	24916	43052	35823	41217	85960	25848	20444	55399	16271	28888	4867	22265	20251	17604	19507	21244	20692	13830	11900	10757	23351	16345	2339	31505	36319	Phytochemical	0.26666668	0.6666667	0.0
12	C15 H10 O4	255.06519	255.06555	0.07718908	255.0652	14353	11473	10090	10828	13430	8795	9682	7920	7645	16507	14135	5173	10140	5950	7752	10502	6558	15327	17817	10322	13995	18038	8869	8886	7325	8280	6238	9319	5617	7586	8107	8266	13033	3944	21847	7072	9832	8658	9900	10845	12820	9283	1957	1675	2002	9483	8904	2173	9504	4806	8157	12652	9750	1638	13557	12755	8875	10880	4541	7193	17524	6201	16419	10040	7632	11643	7483	6632	0	13329	16404	4946	4580	7786	5945	8312	1368	7243	12276	0	8034	10988	5733	5924	11320	7123	12264	9042	10036	11912	8518	7738	11516	8755	16706	2657	10920	9578	10292	11358	11876	11584	8268	5534	0	11045	10791	1418	7711	11504	Phytochemical	0.26666668	0.6666667	0.0
18	C12 H14 O4 S1	255.06856	255.06886	0.012669309	255.06856	13700	8784	12109	10593	18161	18067	6683	2665	9964	32496	15481	2751	17527	10256	5690	8202	4622	29279	19887	25091	13643	24020	4935	3998	7763	1440	4139	16552	6380	2412	2335	3332	9845	0	23249	3106	10462	3843	4614	18266	12609	8942	693	0	331	13110	8678	0	4403	0	11848	8547	14580	307	7678	9476	7212	11313	17143	12146	3524	11055	6487	8049	5000	18667	16247	5024	2658	4316	2851	3081	2712	2198	3390	0	0	2252	5865	24398	4770	14265	11054	8044	10986	8087	9295	12597	9345	9092	58355	72377	7083	29488	39276	522	12358	10543	12718	7797	6420	6655	1547	14038	14217	10036	9238	0	6702	22277	Organosulfur	0.33333334	1.1666666	0.0
16	C12 H14 O4 S1	255.06856	255.06888	0.09555028	255.06859	15352	13420	17176	14970	17452	18065	3546	2472	12200	37888	23908	2729	21941	10647	4633	5040	6543	17837	15627	28954	23796	36375	5329	5998	10569	5588	5618	20660	4332	1533	2793	5256	9041	3730	35997	3067	7182	3944	5181	24425	25444	4762	712	422	309	17600	22087	556	5431	1749	13218	12757	17961	436	13279	11458	5681	12152	21484	17006	0	19633	7661	9177	7180	12859	11183	6323	3587	6563	5814	2377	0	0	3161	1959	0	3008	5926	31536	1734	17853	16567	19058	12748	6124	10685	10025	12153	0	59453	74032	0	41645	60556	0	15689	15823	11581	14915	12571	12721	3163	18024	12818	0	14135	390	7949	15111	Organosulfur	0.33333334	1.1666666	0.0
20	C12 H14 O4 S1	255.06856	255.06888	0.03784628	255.06857	4329	6830	3557	5287	6951	10130	2956	0	6592	8327	2736	1231	7000	4945	3853	3524	2171	9933	4425	7720	6878	6612	2681	2651	3480	0	2116	4732	1925	0	1681	0	5051	2374	7873	1712	4339	1874	2302	7375	6232	4684	740	0	259	5324	3728	0	0	1484	4690	5711	8931	256	5616	7055	2716	5267	7093	4853	3843	4971	2447	3245	3092	8479	6629	2442	1749	0	1817	1653	1490	0	0	0	0	0	2311	9170	0	3708	6311	0	3915	2936	4945	5310	6094	3861	33862	22061	2198	9467	10266	553	5679	4291	6803	4982	5169	3799	1656	9997	6747	3219	8925	0	3457	5920	Organosulfur	0.33333334	1.1666666	0.0
14	C14 H10 O3 N2	255.07642	255.07675	0.13976783	255.07646	4036	2986	2140	3451	1637	1649	3068	2467	1954	0	2062	3851	0	2505	1646	4296	6240	3183	3320	2645	2457	0	1856	4668	2591	1237	1852	0	0	1914	1442	0	5594	1947	0	2145	3324	1840	13788	2070	5280	2562	0	0	0	2421	0	0	2924	1762	2112	2400	2983	0	0	0	1742	2977	0	0	0	0	1468	3048	1718	0	3259	13773	0	2022	2453	2080	2508	1228	1463	1883	0	1903	9461	0	5621	2481	2222	2363	2308	0	10120	4469	0	30306	8184	3670	7354	6645	3749	0	2798	3462	2020	1821	1462	2693	2898	0	0	5537	0	0	4788	2963	Unclassified	0.21428572	0.71428573	0.14285715
18	C14 H10 O3 N2	255.07642	255.07668	0.013085061	255.07642	3995	4036	0	2507	3524	10464	2093	3733	1345	0	0	1547	8881	2358	2701	6393	2652	7388	6962	1970	0	4646	2307	3431	0	0	0	0	0	2550	2688	0	4000	0	2726	2282	17235	1953	3294	1489	5046	1587	322	0	0	1685	2051	0	2621	2134	5905	1903	3057	283	0	0	1221	4423	0	4083	2125	1077	10507	1269	0	4378	2396	3655	0	0	0	3841	2569	1257	1853	0	0	1258	0	0	1744	1473	1207	0	0	2047	1812	4345	2169	7942	14737	7288	14645	0	0	0	2790	2840	0	0	0	1532	1831	1994	0	6565	0	329	2437	24138	Unclassified	0.21428572	0.71428573	0.14285715
2	C11 H14 O3 N2 S1	255.07979	255.08025	0.03386986	255.0798	18499	18313	17047	16778	9353	15926	24426	53135	4271	8297	5033	28712	7223	3044	22000	7665	23509	8928	8747	7539	6551	7118	9832	19121	5342	648	8228	5737	47750	44711	51057	55885	43287	43086	12173	48917	44033	19494	26564	2500	4682	9273	0	0	0	5122	2717	0	56388	43916	17461	19187	9193	0	3827	1933	3415	42624	1580	3120	8816	1563	4838	4049	5122	6720	13037	26710	1095	3298	1815	58718	53723	52857	12879	59137	0	26480	6176	0	6013	1238	1611	1612	2678	4260	5099	8193	17594	10114	4619	7266	14933	2979	1846	0	15258	16189	4091	2589	2384	36906	26989	4053	1806	22067	3385	0	6722	8080	Peptide	0.27272728	1.2727273	0.18181819
10	C16 H14 O1 S1	255.08382	255.08406	0.7470389	255.084	0	0	0	0	0	0	0	0	0	0	0	0	0	1739	0	0	0	0	0	0	0	0	0	0	1454	0	0	0	1035	0	3031	0	0	0	0	1952	2088	1347	0	0	0	0	1308	0	0	0	0	0	1352	0	1191	0	0	414	0	0	0	0	0	0	0	0	0	0	1252	0	3196	0	0	0	0	1422	0	0	21030	1109	0	1139	0	0	0	0	1278	0	0	0	0	1209	1151	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	896	0	Organosulfur	0.0625	0.875	0.0
16	C13 H10 O2 N4	255.08765	255.08795	0.14019564	255.08769	144627	149658	138183	143061	227628	221520	117692	109731	280782	83655	58904	87842	386003	185584	137907	112822	98193	389465	336445	107297	87882	110406	141365	108602	92655	28520	94037	55988	121879	112113	124528	139785	196782	114407	110963	127955	200011	116730	114907	84655	69618	150565	18262	17341	24555	83262	63007	20056	134943	102040	139295	141921	217303	18484	325674	203332	122822	148071	88541	62881	118141	58567	295928	248561	101575	289979	172151	105200	47065	53579	58214	101782	117437	115657	97281	126923	17658	95624	123431	61270	100588	60480	81188	48855	206765	135655	140249	144542	172189	86132	93902	117234	128755	59210	58703	25377	138806	141483	174715	214419	234628	189232	93959	80533	45350	110742	172047	17561	100899	402945	Unclassified	0.15384616	0.7692308	0.30769232
2	C10 H14 O2 N4 S1	255.09102	255.09143	-3.39069E-4	255.09102	6327	5312	5680	6450	0	0	4142	2340	0	0	0	4252	0	0	9839	2186	2871	0	431	0	0	9358	7230	2446	19613	0	0	0	1120	0	1235	637	2453	1112	0	1107	2129	7160	3492	0	0	0	0	0	0	1123	0	0	745	1082	5749	5798	1335	0	0	0	558	5438	0	0	1599	0	0	0	0	653	1214	5014	0	258	0	1242	857	491	825	865	0	3435	213327	37239	7672	0	0	415	0	1047	167216	999	723	71455	5743	1014	37817	4539	490	0	7025	6676	0	0	0	876	4294	301	413	10683	0	0	95663	0	Peptide	0.2	1.4	0.4
8	C11 H14 O5 N2	255.09755	255.09792	-0.03681171	255.09753	82778	87389	74208	86940	87864	70385	57049	86460	88253	34357	33999	65293	97234	32841	70970	123849	127199	128382	129979	42404	47165	93419	77805	97799	53772	7118	67314	22948	85310	65179	71625	95320	108111	84532	58492	67859	120434	69730	150146	35669	50140	79480	2375	814	1309	48613	48152	1064	98394	61197	83066	82673	93274	1475	111104	47930	57545	105113	57861	58661	107044	27830	86974	93585	53314	104578	83646	145193	12753	19041	24427	77786	67480	55407	72270	71790	970	53379	77672	29447	56030	31055	45371	16448	62188	58387	88827	103122	103195	172175	70510	98839	169787	34726	38160	1592	85478	80400	61616	56470	53001	105127	61615	75169	18551	114963	77345	851	71379	147864	Peptide	0.45454547	1.2727273	0.18181819
14	C11 H14 O5 N2	255.09755	255.09787	0.05452394	255.09756	11644	14708	9753	11935	11852	10611	16743	10408	7754	2323	5993	14642	8963	8194	13237	15621	11667	14267	8022	3234	1908	10114	11715	16064	14594	0	19018	0	12714	13854	12410	17238	18243	18901	0	9821	22999	12841	18416	2331	4094	11452	0	1082	1185	6404	0	1440	21220	11303	12013	8321	11123	1186	5924	2914	9883	26993	0	0	0	0	9432	9077	5765	11637	10622	20872	0	1568	1839	12698	10460	7022	9990	11400	950	8870	15184	0	10119	3298	6182	1179	3008	9622	18154	16941	20595	27526	16963	14647	28569	0	1600	1744	11459	7648	6727	5457	5626	17277	13156	6618	0	22658	8710	1208	19514	10683	Peptide	0.45454547	1.2727273	0.18181819
10	C11 H14 O5 N2	255.09755	255.09789	-0.00160197	255.09755	46901	43155	46344	46843	52897	45953	35558	48949	44719	22856	22247	37606	57160	21283	41267	64599	60214	69795	65943	25221	25483	54597	43005	62086	39627	3106	48260	25372	42671	35685	39140	49943	84691	48104	31930	42413	74196	42441	72127	15625	20432	39618	2313	873	1551	24465	16508	1625	56326	35825	45797	49010	59840	1312	58508	25130	27349	71322	35084	33920	65776	11106	48094	51218	29425	66216	49169	74431	0	6786	8406	38825	36872	32443	43569	40981	1255	33863	43641	19696	41484	16554	22134	7074	35602	34909	56747	63087	52970	101485	48900	73351	104951	22187	19353	2012	51716	43433	29843	26687	27137	63884	36546	36229	0	60965	45416	1179	39884	79056	Peptide	0.45454547	1.2727273	0.18181819
12	C11 H14 O5 N2	255.09755	255.09789	0.010949817	255.09755	34407	29110	32811	35771	22376	21480	38641	37458	32568	14459	15481	26353	24954	12650	42082	45171	32743	40405	39904	10679	10371	37788	42072	41706	34777	0	34749	21012	33646	25691	27221	41370	59600	33640	16573	28403	53217	35522	38564	7515	16069	28208	1124	1296	1426	16375	6040	1513	38716	25516	34613	30949	35536	1563	34677	12422	19985	46952	13598	10493	42789	5747	28133	25926	15944	31024	26228	34387	0	4289	4554	29367	27349	22184	27899	26289	963	27501	34003	18667	28701	8155	11255	4182	17244	23936	40898	37198	32382	61976	51851	79303	96859	17117	16613	1395	35802	36479	21482	17099	13135	47845	31707	20665	0	51694	18119	1130	33047	42836	Peptide	0.45454547	1.2727273	0.18181819
10	C16 H14 O3	255.10158	255.10191	-0.021541346	255.10156	31922	32001	22839	26141	19108	14917	23961	30022	19339	24306	22861	23880	21513	12629	22559	38034	31618	20129	28917	33660	31746	40549	28477	30055	24672	31963	27125	19111	29059	30178	27883	30727	34488	17910	39138	29147	26463	24959	29079	21983	31511	21261	5791	3458	3998	30005	28374	5292	32580	26163	24845	32811	18173	3488	22054	16073	18147	39204	20609	29489	30042	17229	20578	16305	11993	17614	11451	37339	28327	33557	40487	24752	22354	23228	26670	26314	4165	20301	35769	18699	35004	29537	25695	17284	24395	16489	31518	19220	23266	47661	23375	28034	43990	22231	28294	4983	26136	30816	20989	22126	20829	27560	26076	32494	22334	29849	14853	3596	25716	17910	Phytochemical	0.1875	0.875	0.0
12	C16 H14 O3	255.10158	255.10191	-0.012421355	255.10156	50291	61979	51686	48571	28676	22461	40534	53459	31615	42973	37973	32032	26013	17392	38859	66349	47127	34032	51096	54909	54272	59822	44891	55156	35970	55474	46670	31096	40917	41473	42799	54886	50181	32710	52037	41157	42633	42824	52300	49622	54508	29227	3332	2853	3454	44541	38805	4997	49887	40255	55591	53190	30022	2654	41254	25178	25266	64457	41270	48682	43574	29339	43257	31876	20441	30259	24983	49428	46259	70347	89524	34476	38086	45850	46150	49049	2789	36725	50715	21374	51005	43600	41138	32908	35053	28084	48647	29623	32058	81936	47160	43059	65509	37112	49146	4431	48800	51110	29595	32375	31361	46907	40100	47925	0	44998	27862	2968	37568	38377	Phytochemical	0.1875	0.875	0.0
8	C16 H14 O3	255.10158	255.10193	-0.062146638	255.10156	16149	21514	10902	19362	11099	8066	12253	14872	14539	15212	11581	13279	9699	6608	14292	18535	16377	11830	15193	16040	13109	22002	17185	17853	11030	12564	13241	8872	16578	17742	14210	14447	14624	11764	18860	14700	12539	14147	18877	17148	19237	9355	3952	2253	2949	13714	17961	3603	19903	15060	18606	15316	10461	2782	12131	10388	12309	17261	10661	13883	16873	9572	11500	11848	6929	8739	8433	20771	15371	14294	26058	12821	13806	14407	12134	20514	3144	12212	19487	10663	17541	16575	13768	10429	12038	8544	17500	9301	13861	23869	12196	12535	19556	11877	10825	3761	15731	15088	13618	14035	12245	15220	14808	14979	8231	13786	8991	2337	14769	9214	Phytochemical	0.1875	0.875	0.0
14	C16 H14 O3	255.10158	255.1019	0.003591428	255.10158	71888	73295	55251	67815	57938	42139	55846	72103	48714	68024	67128	52120	57967	32737	58428	76498	73199	63458	68087	90687	89162	87162	62409	72809	60936	98872	50537	48535	52707	64470	58015	57010	75726	55143	87820	57548	69390	57921	76441	65436	74466	43839	4189	3117	3294	56948	73184	4321	71667	50785	69527	64343	46863	2996	60369	41955	38153	91964	64231	56091	63612	42897	50051	50974	30691	52930	45824	70937	84585	113332	133566	53163	52117	52683	51883	69154	3268	46943	75313	52263	70878	55563	57185	54640	59556	34012	76199	51584	56073	109548	78216	56405	113329	47387	68656	5210	67939	60276	49636	61583	59836	68525	49903	63526	36635	64025	42720	3090	60306	54257	Phytochemical	0.1875	0.875	0.0
18	C16 H14 O3	255.10158	255.10187	0.007488672	255.10158	110423	113151	93455	84670	78903	72378	65614	97988	67963	130112	106996	66491	87254	72195	79249	125268	94139	138373	180648	149893	125669	130836	93370	122361	74977	133477	60434	98256	89652	76359	84659	83272	111803	85619	137759	80924	107626	67928	87553	113891	123246	81936	9783	4429	4846	82038	79615	5745	96321	75249	96204	102537	80531	4207	85527	69209	70194	132854	68068	74409	95293	75840	90200	69105	60750	96764	90613	97656	120318	143584	182767	73121	66615	72436	77091	91054	3833	60567	124697	99258	103064	72851	66627	77974	85399	78113	137717	94389	93238	159479	118277	109453	149081	84267	120228	8284	99565	98862	78821	72630	83996	107372	72502	82734	45451	96999	56887	4756	88101	76020	Phytochemical	0.1875	0.875	0.0
20	C16 H14 O3	255.10158	255.10184	-0.033928774	255.10156	121823	148567	116778	115458	85769	81004	97171	235591	74192	129181	110708	115362	72736	69911	178273	307600	130924	156351	249608	139619	122846	153895	172828	330716	188138	115476	101928	90855	153369	122904	130268	116915	126332	125995	138803	125413	124551	154935	123301	104473	109429	107861	12449	6629	6313	111268	95339	9584	153697	199991	138541	144216	93666	9440	71079	67561	68030	228952	72339	79690	332576	71224	80979	60690	68413	105793	103004	154964	93239	124971	140815	160708	108275	100028	111190	140901	4892	112135	241528	149030	183379	73014	70389	75712	89262	80105	304485	147954	151176	567342	139122	110358	425742	94389	104348	13642	129470	132829	74259	71052	69741	138542	144056	124328	60637	273157	58534	6804	240901	100122	Phytochemical	0.1875	0.875	0.0
16	C16 H14 O3	255.10158	255.10188	0.003669165	255.10158	91262	96691	86213	86153	80079	53045	62592	90559	77900	109990	92249	61805	75185	56750	82656	106905	77897	99438	116028	131231	122812	101938	84799	98773	69636	132413	60519	67893	62313	79905	81890	87088	95334	67036	137841	73749	90682	63337	93246	97992	98875	64846	6551	3141	4876	62879	82670	5261	94101	68364	84405	93361	74662	3719	66305	61944	54272	112129	57367	65302	87576	60907	75934	64796	47192	85690	72166	88116	108733	149273	180938	78254	70273	69656	78154	86339	4055	61035	107004	85416	78079	71667	65940	76364	83515	57617	110766	74918	79929	153321	91855	78483	134568	77055	93873	6350	80401	84169	66779	63759	70348	77473	56871	72103	40998	86469	60200	3202	79099	87039	Phytochemical	0.1875	0.875	0.0
24	C16 H14 O3	255.10158	255.10184	0.008967329	255.10158	24440	25662	20464	27748	27738	20175	15834	26798	17297	24987	25840	19984	30482	21415	20235	27459	22161	33871	31129	32974	29095	24775	25143	31266	20608	27168	12400	28030	21267	19408	19452	20174	32090	22726	28767	23810	29030	19685	18267	21498	24951	23866	8866	4620	8331	30557	23274	5508	23215	21243	23547	24446	22693	7120	19124	20640	16602	36331	16719	14549	30581	18837	28335	20000	14670	32731	28585	18520	25203	26867	31457	23272	19402	21082	12704	24682	0	17315	28293	22226	24763	21524	16856	20274	25510	19021	29832	26820	26637	33196	25706	31208	44668	25601	29903	8841	20320	24260	19576	23073	25836	22966	16559	21842	17051	26134	18261	5543	18619	22585	Phytochemical	0.1875	0.875	0.0
24	C13 H18 O3 S1	255.10493	255.1052	0.1765587	255.10498	1847	2071	1761	3117	1662	4478	0	0	0	3648	1764	0	2555	2190	0	1210	0	2946	1493	5032	2381	4276	0	0	1768	0	0	1531	0	0	0	1317	1571	0	4220	0	0	0	0	1237	1395	1214	0	0	0	4193	1684	0	1189	0	1328	1947	2009	0	0	0	0	2377	3815	1881	0	1624	0	0	1223	1426	2518	0	0	0	0	763	0	0	0	0	0	0	0	3028	0	2593	1720	0	0	0	1037	1164	1959	0	24676	18356	2055	1582	5273	0	1834	0	1019	0	0	1689	0	4880	5597	1456	1737	0	1346	0	Organosulfur	0.23076923	1.3846154	0.0
22	C13 H18 O3 S1	255.10493	255.1052	0.05233086	255.10495	8190	6412	6479	6492	7051	5906	2576	1413	3379	28303	12674	0	1786	0	3024	5577	2265	5897	0	25944	36852	18260	1616	2572	4544	0	2326	16858	3390	1103	1584	0	3319	2823	19074	2917	6140	1999	2964	9067	8166	4509	0	0	0	12093	13347	0	2521	0	7560	4700	4997	0	0	0	2030	4483	10819	12220	5085	7300	0	1446	1591	3202	4929	2994	0	1821	0	2214	2127	0	2558	1463	0	2059	2188	18430	1117	12848	11582	3800	2110	2226	4492	4649	3506	3743	66729	59476	5811	20782	34345	0	6453	9165	1994	1365	1666	4633	1666	15541	16987	6114	3639	0	2261	2909	Organosulfur	0.23076923	1.3846154	0.0
0	C9 H18 O8	255.10744	255.10802	-0.10724029	255.10742	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3001	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1270	0	0	0	24253	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	660	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	470	0	0	0	0	0	0	0	0	0	0	0	Carbohydrate	0.8888889	2.0	0.0
4	C17 H18 S1	255.1202	255.1206	0.2941542	255.12027	0	0	0	0	514	0	0	0	0	0	0	0	0	2954	0	0	0	0	445	0	0	0	0	0	0	0	1228	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1720	0	0	0	0	0	0	0	0	0	477	0	0	0	0	0	0	0	0	0	0	0	0	0	484	0	0	0	0	0	0	0	20952	447	0	0	0	0	0	0	2795	4623	0	0	0	0	0	455	0	0	0	0	0	0	0	0	0	378	621	0	0	0	0	327	600	0	0	0	Organosulfur	0.0	1.0588236	0.0
14	C14 H14 O1 N4	255.12404	255.12427	0.3889562	255.12413	1139520	1175520	1126538	1194869	1479862	1336930	1279277	1020680	1462414	817106	632122	761577	1830467	1310695	895695	1227290	1313216	2172689	1871024	1147609	1145321	799758	812067	740552	915670	480451	1244394	753604	1584960	1251490	1052170	1588453	2310910	1352797	1008804	1402936	1791507	800783	1446571	706281	559456	1208882	109193	33859	35820	629958	544336	40203	1481351	806266	1140061	1025869	1413754	45845	1871814	1174666	894531	1580049	716396	624822	1266011	395310	1663782	1416517	892320	1827116	1447932	1227815	333609	594973	491907	1024266	1232743	1291258	1195556	1275360	26072	811883	772281	631842	606597	509757	1187873	844233	1286051	924292	1142287	1075732	1416164	1050255	1196407	1096526	936883	490627	746123	73830	1185898	1193721	1083770	1491795	1617787	2123101	785319	1101681	339197	941382	1238929	36866	760254	1592341	Unclassified	0.071428575	1.0	0.2857143
16	C14 H14 O1 N4	255.12404	255.12468	0.46713713	255.12416	1552592	1609722	1618604	1590962	2263320	2110781	1951970	1481898	2261116	1219140	834820	987924	2723839	2001580	1546628	1640754	1529075	3606404	3147380	1611568	1322693	993634	1206202	995518	2900260	451504	1688138	964476	2148412	1630346	1687220	2169228	2677261	1938074	1374102	2069398	2781498	1281082	1627170	845380	661362	1804717	152560	69906	92494	776940	602138	80908	2119270	1265869	1618998	1609860	2163408	85460	2805152	1796630	1345383	2052232	1069794	775014	1645858	540254	2190578	2062475	2468664	2569003	2077892	1386518	366718	626664	502686	1559943	1844854	1949924	1553950	1870722	68072	1070662	1187622	862308	879230	735100	1564896	1065400	1853582	2995304	1513402	1655356	2014104	1040472	1565556	1698368	1210836	712472	954527	114084	1551114	1662729	1626004	1864727	2241500	2555209	972340	1292550	467618	1259744	1912102	70460	1305222	2790484	Unclassified	0.071428575	1.0	0.2857143
14	C12 H18 O4 N2	255.13393	255.13423	-0.09121327	255.13391	16529	16521	16091	19506	15665	14072	15832	17745	7830	3332	6610	10617	7279	8442	12087	19265	21807	19787	13381	8385	2482	16594	11487	23702	15441	2946	15308	13012	18716	13692	17534	16694	22051	23051	6656	20655	26066	8331	24341	11171	5195	11407	0	1239	1116	7817	5423	1159	20573	11322	20067	15310	11512	899	9570	4051	11895	22929	5099	10499	18943	2965	8809	9499	5470	13827	12783	22754	0	5211	4504	17889	18427	13792	20679	17971	683	9981	16372	0	9374	10249	10203	5199	6158	9649	15989	20113	14808	32340	99295	61564	33725	6907	10496	1480	16297	18951	6409	5797	6567	22312	13445	10900	0	26408	8647	1151	16634	9982	Peptide	0.33333334	1.5	0.16666667
24	C14 H22 O2 S1	255.14133	255.14146	-0.18335187	255.14128	1988	1786	1810	2018	0	0	0	0	0	7161	4147	0	0	0	0	0	1258	2195	0	8257	6655	5929	0	0	0	0	0	7507	1501	0	0	0	0	876	8124	1994	0	1005	1259	2291	1762	0	0	0	0	2500	4936	0	0	0	0	0	1134	0	0	0	0	1354	2314	4796	0	0	0	0	0	2063	1454	0	0	0	0	0	0	0	0	0	0	0	0	7377	0	5428	2804	1477	0	0	2198	1263	1137	2798	28962	25416	0	5616	10744	0	0	2130	910	0	0	0	0	3943	6935	1094	0	0	0	0	Organosulfur	0.14285715	1.5714285	0.0
22	C14 H22 O2 S1	255.14133	255.14154	-0.3026652	255.14125	1502	2255	2429	2105	0	5422	0	0	1564	2610	2879	0	0	0	0	1364	2911	0	0	4068	3439	0	1719	0	2619	1643	0	1979	1570	1044	1581	0	1594	0	3597	2308	0	1333	1827	2995	3568	3262	3922	7376	5412	3018	9284	4902	0	2209	3579	2129	2809	6474	0	1867	1305	2067	2479	5085	0	2425	0	0	0	2765	4317	1715	0	0	0	0	0	0	1909	1507	6681	0	2144	10349	0	4797	3851	2511	0	1325	0	2078	4170	3952	37086	29493	1602	4194	5323	5555	2068	3085	1471	0	1720	1548	2367	5151	3003	2339	1724	4118	2435	0	Organosulfur	0.14285715	1.5714285	0.0
10	C10 H18 O2 N6	255.1564	255.1568	-0.56749916	255.15625	0	0	0	0	19863	1314	0	0	0	0	0	0	0	0	0	0	0	0	1216	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1559	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6459	0	0	0	1159	0	0	0	0	1049	2702	0	1671	0	1336	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1002	1803	873	0	0	897	0	0	0	0	0	0	0	0	1132	0	0	0	0	0	0	0	27218	0	25307	0	0	0	Peptide	0.2	1.8	0.6
20	C14 H22 O4	255.15909	255.15936	-0.004548138	255.15909	625893	661760	659441	630963	470307	797151	874727	521243	202741	264853	260868	386860	442806	12923728	354020	472080	444299	523343	532152	400708	323806	268775	228218	301919	255350	229749	1326821	358337	519143	431511	403402	536814	502922	461870	321025	538098	639657	237815	433587	313002	408286	556210	1335553	293052	204371	526100	452178	372081	619066	360321	637086	625662	487920	516064	230899	484349	355440	528796	226169	460301	712624	172762	2441086	205633	10633646	720215	1798883	562297	340997	243369	365350	360364	440607	611515	593493	431792	611539	212210	202916	859838	156155	443137	834503	636812	289945	276678	300057	742194	775101	453991	639864	441863	403432	243834	373123	1102889	643218	723735	552295	287619	321260	504383	203622	501664	333669	338179	260742	202397	282507	573022	Lipid	0.2857143	1.5714285	0.0
20	C15 H18 N4	255.16042	255.16057	0.14726965	255.16046	0	2046	0	0	1895	0	1986	0	0	0	5291	0	0	241453	0	0	0	0	0	0	0	0	0	0	0	0	7752	0	0	0	0	0	0	0	0	0	0	1880	0	0	0	3965	0	7193	0	0	2970	0	1522	0	6123	0	1548	0	0	0	0	0	0	0	0	0	0	0	26937	1929	0	1955	0	0	0	0	1211	0	0	0	1755	0	0	0	0	0	0	0	0	1511	0	12246	13821	0	0	0	0	1467	0	0	1714	0	4098	0	0	0	0	0	0	0	0	0	3269	0	Unclassified	0.0	1.2	0.26666668
16	C13 H22 O3 N2	255.17032	255.17055	-0.025097935	255.17032	2070	0	2088	0	0	0	0	2458	0	0	0	1113	1806	1233	0	3000	1727	0	0	0	0	2125	2149	2712	0	0	0	0	0	1691	0	0	1825	1217	0	1712	0	1239	3251	0	0	0	228	0	0	0	1665	0	2376	1317	2700	1658	1451	0	0	0	0	2488	0	0	0	0	0	0	0	1446	1201	1477	0	0	0	1240	1426	0	1599	1959	0	0	0	52173	1844	0	0	0	0	1041	1617	1473	1591	0	9402	3367	0	1923	0	0	0	2330	0	0	0	0	1284	0	0	0	0	0	1209	0	Peptide	0.23076923	1.6923077	0.15384616
8	C13 H22 O3 N2	255.17032	255.17065	-0.077841304	255.1703	21543	23267	21009	22556	9999	7099	9328	17092	5863	43075	13528	10593	13681	4905	11676	23064	16016	10716	13711	9508	10899	25175	11319	25335	13013	3501	12190	34237	18304	13370	14162	23072	18488	16064	81566	16425	18386	10126	22033	11578	17393	7144	0	0	0	14252	16795	0	17067	15687	22959	20997	9079	0	7921	2935	4449	22222	0	7819	17894	0	7280	6991	5333	10098	9654	22378	3240	4863	6995	13032	16386	12883	17249	13813	0	9170	14506	22430	10979	7800	7405	7571	5009	5085	15703	7684	10096	33851	515438	215384	32514	13825	21175	0	21919	21422	3477	2919	4732	15322	8933	20140	0	17204	7796	0	14292	7970	Peptide	0.23076923	1.6923077	0.15384616
12	C13 H22 O3 N2	255.17032	255.17062	-0.06299421	255.1703	5613	6545	8769	8736	7230	7245	6282	6516	4375	0	0	3883	3794	4402	2912	11361	10731	4316	5253	4015	1963	6031	4156	8672	3403	0	5155	0	7502	5498	4651	8435	10009	8460	2331	8126	10215	2476	15889	2993	4511	4136	0	0	0	5716	5215	0	8489	4198	7235	7364	5482	0	4371	1299	2527	9917	0	0	0	0	2053	3888	1286	6555	4495	12473	0	1298	2101	3018	4522	5901	8595	7787	0	3469	4587	0	3902	4188	1992	1439	1783	2286	7457	4319	3531	27545	10949	10229	14248	4093	4951	0	6967	6028	7329	2103	2366	9124	4297	4341	0	11770	6982	0	7581	6465	Peptide	0.23076923	1.6923077	0.15384616
10	C13 H22 O3 N2	255.17032	255.17065	-0.056890093	255.1703	8335	9159	8696	8565	11268	3737	7400	8793	4345	2049	1451	4712	10659	5237	4058	16144	10825	9863	7516	3672	3759	17501	5256	15933	6242	3059	7830	3982	8153	5605	5405	10089	14718	7169	4444	6695	14371	5702	16234	4549	7612	5086	0	0	0	6485	7610	0	9201	4366	9871	10527	9033	0	5566	3821	3427	14994	2042	6138	16924	2164	6144	5632	3622	10058	5808	13023	0	2537	2161	5069	7083	5208	9626	6151	0	3646	9339	7453	8017	5398	4027	3012	5277	4461	13151	6758	6155	27556	52322	20292	25707	6466	7039	0	11135	10579	4062	6184	5654	10358	4633	7282	0	10654	6347	0	14779	10328	Peptide	0.23076923	1.6923077	0.15384616
16	C18 H22 O1	255.17435	255.17464	-0.04997465	255.17433	14055	11949	13551	14804	12206	8083	17956	17192	6438	3915	6392	12531	5296	8359	12721	18905	39712	5024	11864	6957	9867	9697	16667	17001	15482	12819	21026	6301	10787	9945	14032	19902	13304	14024	5171	20278	13331	10696	39551	5878	12830	7671	746	478	465	5357	10489	547	18932	17800	12446	13915	7765	646	5871	10890	7826	19999	4851	15035	15959	4514	6543	6267	6788	7945	12234	39014	8390	13468	17400	10211	12383	17535	29583	16620	276	9151	20466	13119	14852	10822	14368	7411	15290	9581	28368	9030	12117	44464	8506	14516	0	6069	10279	596	15235	14028	11352	17482	22353	16885	11745	15195	3627	14479	11302	480	23059	6639	Phytochemical	0.055555556	1.2222222	0.0
28	C18 H22 O1	255.17435	255.1746	-0.0187929	255.17433	11309	11334	8607	12897	11754	6380	9988	12340	9770	5805	6415	7573	9113	11127	11039	15029	14890	7510	13934	6850	8264	8178	14294	12569	12036	9969	10505	8556	17235	21622	13325	18946	18343	12571	6150	21206	13377	9401	14367	6957	7290	22430	1996	2115	0	8076	5655	1587	12558	14841	11856	9236	12393	3357	8805	10056	7446	17234	7526	5752	18904	5070	7299	7179	5585	11082	13763	16877	9440	8099	9160	8837	11049	21039	10294	17715	0	11801	12940	0	10264	5390	7826	6334	12061	6402	22420	10793	9327	19419	12026	13312	15965	8899	4997	1447	10332	11593	10843	14753	15274	20328	10516	11324	5589	15778	9581	1638	8589	4721	Phytochemical	0.055555556	1.2222222	0.0
26	C18 H22 O1	255.17435	255.17464	-0.005623354	255.17435	48249	52931	45157	43191	47954	24945	33420	54029	41187	28027	46182	37920	37187	33963	51520	67028	62609	40326	53515	53905	42976	49831	38964	52027	52475	85528	36096	50424	56596	63933	46086	61545	0	46936	39021	76310	66128	48599	57520	41256	46193	315643	0	0	0	32996	23410	0	60105	50759	50956	43403	36983	0	34086	38025	35111	72198	28802	27231	61418	26845	28813	30938	22081	42117	50102	67437	64975	54939	61763	38455	51245	77887	49241	66611	0	49269	52750	0	34290	32999	36124	34715	46691	40204	68207	39794	39522	69337	54431	44539	70185	56517	54548	0	49147	48597	55237	48550	54653	81498	37247	52695	26747	51048	47146	0	54736	24039	Phytochemical	0.055555556	1.2222222	0.0
16	C15 H26 O3	255.19547	255.19577	0.067277744	255.1955	0	0	0	1521	0	0	14946	0	0	0	1360	0	0	6424	0	1619	3182	0	0	0	0	0	0	0	0	6919	17870	0	0	1294	0	0	0	0	0	1797	0	1111	1280	0	1447	0	1356	534	499	0	0	614	2814	0	0	0	0	578	0	1315	0	2941	0	0	0	0	0	0	2243	3039	3697	0	0	0	0	0	0	1939	1606	0	1108	0	0	0	0	1504	31754	40447	0	0	4784	0	0	0	3369	0	0	0	0	538	1942	3472	1695	1807	2756	2692	0	0	0	0	1030	518	0	0	Lipid	0.2	1.7333333	0.0
22	C15 H26 O3	255.19547	255.19574	-0.003565415	255.19547	93778	99692	96316	98313	39400	341616	1083675	56132	10069	56912	83048	20915	33496	832343	33625	43559	65842	24326	102177	54837	41796	48055	22670	30029	26908	228051	1064913	151701	44715	28986	24872	35123	31638	30805	22118	41881	43628	47326	99011	41051	69325	297718	95408	13336	15294	62734	113096	16900	32927	41112	84176	93615	37434	35482	10098	143596	244477	40541	31760	116453	190301	49442	243300	10862	380194	75687	348994	82441	81770	82304	88605	27745	25249	46538	44659	36415	17162	15657	28484	356988	27863	99314	356580	532574	22884	28926	61737	53671	136755	130843	268868	184299	82922	48284	66228	29013	96854	107210	198720	17456	20842	37139	15164	125164	65206	36198	19619	11353	33571	91860	Lipid	0.2	1.7333333	0.0
26	C15 H26 O3	255.19547	255.19577	0.020258104	255.19548	23151	21881	24469	21556	12265	13322	121707	21715	10188	15773	38033	10637	8233	44066	27582	16419	21455	6529	13109	13654	15800	12778	12843	13068	14088	19023	114071	89307	17984	16483	11446	14802	11922	10649	13449	12787	13514	22891	23799	11027	21592	18432	15710	11045	18963	18868	23458	10639	14878	18423	26073	23478	11309	16462	8471	22357	26756	14672	22791	25217	21998	18619	17849	9407	46489	24754	27025	19998	17151	13191	18177	9758	17491	19129	19372	17257	19436	14090	17445	138582	13363	43152	38418	33599	11246	24313	52375	13060	12854	26360	122881	86206	18292	24942	18301	13421	22041	26927	17617	11193	15219	19717	12987	27691	98059	14356	10130	10864	15616	7696	Lipid	0.2	1.7333333	0.0
18	C15 H26 O3	255.19547	255.19576	0.06423296	255.19548	3434	3618	3302	6018	3514	3401	50300	3123	0	0	2457	1852	3121	23210	0	3874	4283	0	0	0	0	0	2553	1326	3483	16865	44228	1635	0	2068	1584	0	1817	0	0	2721	1599	2934	7137	0	0	1527	3355	1037	1194	0	1231	1148	2538	1545	3900	3811	0	1917	0	2011	3333	2903	0	2363	4888	0	3971	0	15168	5878	5485	5460	0	0	0	0	2499	2224	4628	0	987	1586	1825	23524	2434	2699	49100	67721	2952	3080	13246	2243	0	37659	8905	10041	2306	1407	1647	1324	4678	3348	2982	2318	5952	0	1227	2297	0	2089	4584	846	2403	0	Lipid	0.2	1.7333333	0.0
20	C15 H26 O3	255.19547	255.19574	0.009603974	255.19548	104928	118959	115933	104854	30521	272174	940912	24002	3490	61440	70244	13136	27565	967336	15301	25031	38706	15592	0	55364	29970	40317	0	23838	11914	280088	1018140	110434	22028	15297	12149	19945	11777	13684	18350	18944	29111	21851	62066	39971	101001	364066	47612	7627	6112	50925	48513	8754	30499	19211	125332	110687	22173	19011	2983	214467	294466	43314	21818	100367	208488	45208	0	5087	465536	45720	293302	71312	89341	133719	119440	21652	14289	25429	35938	39436	6810	6351	15104	169389	12972	0	354157	1133126	8895	9970	30063	55770	212827	104534	124131	72191	44533	23180	38273	18862	91278	94319	291205	10810	15635	16757	8997	114149	29340	16809	8620	6256	15893	117128	Lipid	0.2	1.7333333	0.0
26	C19 H26	255.21072	255.21103	0.003024158	255.21072	21875	23540	22207	21632	14683	8960	25687	25189	15308	4263	12671	17869	7699	16831	20397	35606	40626	6985	16723	10063	14535	22264	13460	24080	26698	18200	26451	20031	22457	27609	17314	36960	24027	15314	8021	29831	16372	22587	51971	10439	15140	15491	0	0	0	13245	15929	0	20700	32730	24610	25822	14793	0	15648	18090	15181	35640	10135	17341	28128	8009	9948	12741	11245	11849	27908	48889	14016	13545	14555	9662	12640	26440	39663	22899	0	16642	35906	36866	19833	19513	15947	12767	20976	20932	81432	10474	14161	121534	27895	25782	49841	21488	15540	0	23024	24165	28248	26670	27035	36015	13943	15914	10559	25239	20352	0	37898	7223	Lipid	0.0	1.3684211	0.0
24	C19 H26	255.21072	255.211	-0.001665765	255.21072	13835	16724	17545	14430	11112	8030	17128	20163	8594	2519	6462	12085	3748	11660	16003	36667	41554	4720	12034	2998	5696	18459	13147	23058	22863	5980	21829	11296	14428	18007	12031	16044	12582	11184	3979	18896	10237	14871	39054	3834	8739	7789	0	0	0	8191	11110	0	13669	22029	14322	13786	8656	0	16037	9281	9155	30164	5623	13267	26329	5335	5603	6901	8753	8082	16513	37439	4950	6043	10934	7985	10118	17933	28798	15833	0	9128	24613	24289	18731	10746	12864	6803	16542	11518	45859	9752	10825	114090	21681	21729	37942	12718	12258	0	14476	16309	19545	16140	24865	18017	10391	12316	7268	17463	15889	0	25463	2782	Lipid	0.0	1.3684211	0.0
20	C19 H26	255.21072	255.2109	-0.12236247	255.2107	2361	0	0	1480	1498	0	1953	0	0	0	0	1192	0	0	2180	3088	4675	0	0	0	0	1340	0	0	3378	0	3023	0	0	1420	1348	2381	0	3759	0	1997	0	1325	6867	0	0	0	0	0	0	0	1997	0	2141	1371	0	1593	0	280	0	0	1030	2561	0	2350	0	0	0	0	0	0	0	6678	0	0	0	0	1622	0	3735	0	0	0	3218	0	2609	0	1268	0	1439	1447	5525	0	1282	21310	2465	0	3347	0	1751	0	0	1537	2211	1275	1613	0	0	0	0	2224	1543	0	3542	0	Lipid	0.0	1.3684211	0.0
28	C19 H26	255.21072	255.21101	0.005128372	255.21072	9063	7843	7863	6996	6390	4003	11575	11667	9563	2465	8042	7293	3663	9438	8880	10399	17879	5325	7968	5340	5061	4924	8302	7825	14093	10434	9364	13646	12581	12642	7211	16042	8894	8099	2374	17371	5918	9035	15257	4088	6379	9013	1976	2347	0	4398	5591	1917	9906	14757	7872	6448	7029	5762	9838	8630	6435	12355	6355	5662	10148	5015	2562	4408	6622	5591	9192	14269	8771	4910	2081	3754	6161	14618	13889	9107	4940	8105	13229	39620	8839	7357	5256	5580	13718	8799	34780	5626	6671	21965	7043	8834	11894	26629	5929	2578	6614	8917	19997	11877	22010	12888	6595	8085	8663	9210	14977	2229	13064	2850	Lipid	0.0	1.3684211	0.0
22	C19 H26	255.21072	255.21101	0.002465633	255.21072	4555	7006	2778	4106	3606	2237	10486	7279	2525	0	1361	4587	0	0	6634	11005	20280	0	0	0	2006	4108	3835	5954	8988	2542	11434	0	3475	5344	2684	4729	3632	3953	0	7619	3025	7197	16253	0	3663	3188	0	0	0	2328	7397	0	4653	7256	6414	6273	2857	0	5640	5545	4004	12167	1250	5880	8473	0	2721	5055	3072	1403	3691	22355	2030	0	1957	2364	2216	3500	18520	4877	0	2849	15335	4217	9981	5727	4627	2294	6410	4328	18686	2411	4141	49913	9062	3843	11312	2450	3445	0	3657	7106	7288	8921	8466	6524	5572	3119	1819	6196	6923	0	12945	0	Lipid	0.0	1.3684211	0.0
12	C13 H26 O1 N4	255.21794	255.21814	0.014728514	255.21794	0	0	0	0	0	0	7465	0	0	0	0	0	0	0	1145	2101	14578	0	0	0	0	0	0	0	3791	0	8222	0	0	0	0	0	0	0	0	0	0	1041	7193	0	0	0	0	0	0	0	0	0	2107	0	0	0	0	0	0	0	1151	1383	0	0	0	0	0	0	3651	0	0	41028	0	0	1500	0	0	0	13875	0	0	0	0	0	994	0	0	0	0	0	6307	0	0	4672	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1444	0	0	2236	0	Unclassified	0.07692308	2.0	0.30769232
10	C13 H26 O1 N4	255.21794	255.21817	-0.1712566	255.2179	2420	2500	1776	2159	0	0	139562	9178	0	0	0	0	0	0	0	15084	0	0	0	0	0	0	0	0	0	0	85304	0	8092	17052	9794	1518	0	0	0	2918	1236	0	3862	0	0	0	0	0	0	0	0	0	34477	14127	2578	1145	0	0	0	0	0	3864	0	0	0	0	0	0	0	0	0	4325	0	0	0	18331	13894	12702	39548	6055	0	0	0	8011	0	0	0	0	0	0	0	0	915	0	0	0	0	0	0	0	1268	1246	0	0	0	0	0	0	0	1092	0	0	0	0	Unclassified	0.07692308	2.0	0.30769232
24	C16 H30 O2	255.23186	255.23212	-0.00905816	255.23186	19494	29886	25953	20220	7664	43863	213090	8455	3954	6172	26972	12279	5703	249534	13510	6919	16308	3014	23504	8943	7564	7996	7863	8176	11926	45425	228209	34576	7074	9269	6070	9680	3072	7554	5243	7119	5759	12414	15487	7120	20214	33800	36721	21651	37739	10415	28933	21160	7640	12472	23758	25927	10851	36408	2879	93635	103973	9255	10653	30881	24087	13757	42889	6420	449853	6013	49434	11212	22148	9988	26143	6608	8375	10000	8034	9556	37862	8805	7633	74855	9405	33815	41418	59128	8080	8180	7213	13951	31696	12008	54881	38251	8207	19813	11202	25926	25467	28153	116894	5905	4159	8819	11943	24975	15471	6399	8433	24976	13320	14082	Lipid	0.125	1.875	0.0
8	C10 H6 O2 N3 S1 Na1	256.0151	256.01547	-0.008619218	256.0151	6026	7973	8427	7249	63758	67344	8822	2622	5261	0	0	4069	0	11583	3999	7021	16817	8701	19948	889	0	0	1142	1514	1007	0	9944	0	17408	6532	5674	9265	3689	11356	0	13464	3102	3132	17062	0	0	214842	444	0	0	0	0	0	15825	4331	8794	6821	94272	0	3357	0	96212	6541	0	0	6593	0	0	8257	143166	9602	151830	28548	0	0	0	4004	7763	0	15450	5838	0	2319	1132	0	0	0	0	0	991	29320	2240	65748	57648	3065	0	0	3603	0	0	0	7836	7577	11506	0	0	3416	3454	10669	0	2383	26361	0	1715	995	Organosulfur	0.2	0.6	0.3
12	C10 H9 O7 N1	256.04517	256.0455	0.017292377	256.0452	0	2392	1964	0	7130	5564	0	1336	4479	0	0	2022	6120	3089	0	0	3355	11443	8409	0	0	0	1905	0	0	0	0	0	0	0	0	1228	0	1282	0	1704	3058	981	0	0	0	3954	0	0	348	0	0	0	2857	0	2430	3131	5154	0	3443	1370	1490	1886	0	0	0	0	19306	6946	2155	8411	2899	0	0	0	0	1576	0	1223	3228	0	0	1491	0	0	1613	0	0	0	1382	1170	1379	6538	5965	0	0	0	1946	0	0	0	1854	0	1545	2090	1015	0	0	0	0	2214	1628	0	0	25955	Phytochemical	0.7	0.9	0.1
10	C10 H9 O7 N1	256.04517	256.04553	0.052628197	256.0452	7118	8160	5945	7847	10941	8155	3953	8290	7129	0	1196	8502	13530	5198	2315	12185	14096	18173	13473	0	1472	2104	5988	7807	1259	0	4002	0	7652	9764	7484	14691	12792	15144	0	8363	16785	2891	22177	0	0	8603	0	0	0	0	0	0	11283	7702	8448	6500	8141	0	6310	3670	3086	10309	0	0	10990	0	22515	9662	2603	12915	9774	17344	0	0	0	10777	13739	8996	14705	12125	0	5212	2275	0	2912	0	0	0	5724	2893	4477	13858	12223	8052	0	0	4870	0	0	0	6154	5582	3487	5168	4690	10235	5137	0	0	10360	2904	0	1868	36825	Phytochemical	0.7	0.9	0.1
8	C10 H9 O7 N1	256.04517	256.04553	-0.001743815	256.04517	3417	5979	1757	3910	8442	2977	930	3753	6309	0	1184	2232	10026	3256	1098	5855	2974	9116	8657	0	0	3079	2611	5476	0	0	1500	0	1710	1725	0	4254	5600	3940	0	2483	3820	1718	4950	0	0	5305	0	0	0	0	0	0	4000	2024	2316	4725	5433	0	4361	4187	2717	7589	0	0	5489	0	18339	8622	2335	9774	4915	6677	0	0	0	1781	3232	0	6782	6324	0	956	2368	0	931	0	0	0	2780	0	2622	7094	7105	7377	0	0	3992	0	0	0	4064	3658	2530	4176	0	5080	2547	0	0	4682	2960	0	1326	20213	Phytochemical	0.7	0.9	0.1
10	C14 H9 O4 N1	256.06042	256.06076	-0.00875427	256.06042	5530	3753	4866	5784	6008	3910	4238	6266	9297	1773	1848	4905	5346	2287	4976	8554	10925	6678	10908	2222	1916	3186	5909	4889	3130	0	2959	0	4406	6179	5115	3584	9858	4622	2709	3220	6499	5103	10858	1659	2606	6992	0	0	314	2054	0	0	6052	5556	5225	4770	6633	0	10378	3012	3394	8648	0	1806	9278	0	3554	8981	3329	7128	6140	12157	0	1660	0	6982	4962	3799	4908	4654	0	3877	7798	0	8305	2065	832	0	5727	2594	10790	10110	5590	21230	0	0	16404	1372	2164	529	4146	4505	4275	4926	4381	8026	4248	0	0	9246	3204	0	5207	7520	Phytochemical	0.2857143	0.64285713	0.071428575
8	C11 H13 O4 N1 S1	256.0638	256.0642	0.09090714	256.06384	7980	8773	5719	9071	7435	4678	2760	2247	5958	8471	5974	3135	9101	2343	3409	8464	9196	10184	10734	9496	12821	23799	3598	3785	3565	6486	4169	4076	3522	1642	3404	4928	17441	3717	13357	2002	6569	3291	8728	18667	30537	4305	0	0	0	10793	14622	0	3800	2307	7337	7818	6541	0	5895	5763	2971	6916	5045	12541	8420	12503	6074	5519	0	7294	3208	9311	7764	9600	15194	2875	1403	1475	3509	2204	0	1920	3403	10266	2736	9725	6091	11585	6744	3948	6333	6593	4941	11769	15196	24845	39270	16477	20914	0	7774	9075	5813	8717	7019	8152	2165	11336	6993	14759	6245	0	4039	10306	Organosulfur	0.36363637	1.1818181	0.09090909
6	C11 H13 O4 N1 S1	256.0638	256.06424	0.0856346	256.0638	5255	6124	4861	5057	8319	4785	1494	1717	6639	5418	4025	1211	22012	3176	1942	3623	3447	7526	10842	5437	8464	10872	2027	3818	1849	3387	1883	0	2714	1947	3122	3145	5232	1894	7175	1480	6521	1644	5613	9111	17579	2554	0	0	0	5604	8951	0	2630	2466	6068	5188	5960	0	6950	7772	2725	4266	4110	8063	3753	7277	6613	3650	1441	11672	3443	5329	4304	4619	8502	1950	1573	1263	1621	2114	0	1757	2456	4378	1763	4332	3652	3120	4940	3022	4098	4596	3590	5874	8158	13364	6028	9501	13728	0	4081	4189	4558	17175	19270	5335	914	6897	0	4420	7238	0	2032	10501	Organosulfur	0.36363637	1.1818181	0.09090909
10	C11 H13 O4 N1 S1	256.0638	256.06418	0.061161395	256.0638	8196	10090	6968	8085	12152	9213	4362	1861	6735	9159	5854	3005	10061	4800	4618	8236	9684	12937	12473	11033	16099	22371	4436	6882	5479	4396	3907	3785	4321	2358	3721	4136	8746	3887	11290	2486	12442	2459	8352	18150	29789	4943	512	0	0	9926	17430	0	7150	2067	8554	8349	7799	0	9434	7366	3544	11457	7365	15067	11673	13733	6824	4220	3164	9969	3495	12715	0	10767	11234	2863	1842	1494	5917	3604	0	2579	8139	10147	2769	10189	6977	9162	6081	4112	8622	7181	8919	14048	16371	24898	13560	17441	22774	0	8184	8523	5982	7154	8986	8655	2389	10998	0	14831	8047	0	5845	12962	Organosulfur	0.36363637	1.1818181	0.09090909
12	C11 H13 O4 N1 S1	256.0638	256.06415	0.014715608	256.0638	8654	13611	8629	10257	8975	6877	4658	3580	3395	6065	4585	4168	5056	2287	4115	9242	4204	9137	10843	4536	8790	18208	4650	14499	6282	3691	5105	0	5222	2726	5144	7262	6070	5114	5608	3656	10566	2973	6921	10077	16383	4839	0	0	0	8151	10540	0	7029	2601	7477	9724	9250	0	5164	2811	2471	13048	5578	15077	0	8861	5735	3077	3169	7080	5132	8229	0	3945	5948	3803	3519	2512	6943	4935	0	2512	2930	0	2888	8694	7034	6398	5593	5242	7146	7993	5854	10668	26612	26413	13428	9301	21048	0	7855	10969	4580	4613	6161	11467	2406	11024	0	11501	8499	0	5881	11664	Organosulfur	0.36363637	1.1818181	0.09090909
10	C11 H13 O6 N1	256.08157	256.0819	0.005455234	256.08157	79634	72486	70338	69552	113335	95841	43947	59239	129434	31453	31938	60874	167714	55763	59912	86190	91881	186919	170929	35278	38430	69810	72398	67200	38824	3054	56648	21175	60609	51824	64188	73435	118725	68204	45574	57096	121844	63017	105435	26218	38652	87381	4146	2471	2509	27804	24197	3283	77841	49729	75360	72080	105687	3136	160418	71898	55768	93716	34800	38591	96799	19011	156252	143668	49912	145623	89123	107756	13601	11692	15743	57354	48682	50706	66928	57857	2048	49941	54087	31991	43070	20439	18547	9557	89125	58515	71161	102160	101631	92380	45186	61874	107135	32016	28535	3507	71620	75403	68078	78341	77363	104328	59301	32622	16385	90075	83586	2444	42745	243989	Phytochemical	0.54545456	1.1818181	0.09090909
2	C11 H13 O6 N1	256.08157	256.08203	0.023804884	256.08157	11677	11397	10524	9354	27761	17715	6999	12207	21565	4869	4886	8723	40785	14245	7616	3849	7817	29310	24967	6266	12096	13426	8912	10477	4215	2023	1562	2003	14485	7185	11442	10869	19222	14871	10315	9461	13027	5090	7755	7284	6274	14723	885	1150	1941	5869	5423	1565	11726	6153	11352	12850	19785	1556	25301	15597	10183	13684	5870	6033	5436	3750	47811	27599	9848	35604	19514	10954	4234	3942	4633	16231	14500	9001	2581	11729	1199	6569	7931	0	6865	4460	4379	2828	16376	8897	7899	23561	22573	11873	5013	7865	15595	4856	2234	2390	11564	11244	13551	18894	16937	11790	8460	6934	4347	13272	11844	1206	5779	56278	Phytochemical	0.54545456	1.1818181	0.09090909
6	C11 H13 O6 N1	256.08157	256.08197	-0.010292524	256.08157	88700	103908	82067	91752	144894	81830	47496	76906	169380	57981	63345	60544	200699	55292	53582	100252	108898	223787	208254	59589	90702	82982	66872	78986	29811	8239	49460	27296	71514	59879	72102	82187	116411	71518	68356	67436	110033	54306	146640	45985	94229	97465	2735	1245	1570	44437	60122	1436	79733	53899	101339	87021	135413	2560	185133	119292	74686	97703	40402	71637	94212	44351	227331	141547	67107	159850	104142	146678	26447	26286	39521	63794	61638	50482	52877	60899	1394	43915	56174	22192	43695	25426	26881	16568	121225	78139	67068	129000	135329	136208	37880	55620	116630	47642	44335	1921	88622	87683	88842	115975	129135	125393	55638	55991	23272	93319	128133	1814	40062	317317	Phytochemical	0.54545456	1.1818181	0.09090909
14	C11 H13 O6 N1	256.08157	256.08188	0.038213253	256.08157	16485	19234	20941	19941	29977	25476	19966	16626	22345	3508	9403	18684	31979	13614	22964	23108	29163	32006	28659	4155	7301	11476	24244	19008	21135	0	23397	11259	18062	13451	15645	18811	25963	19420	9526	17342	29958	21777	30800	4673	7183	20990	0	2351	2138	11945	0	2731	19634	12066	18768	20575	24390	2410	27637	13622	18795	28961	10610	11722	22251	2951	27322	25437	13960	32702	19336	26668	0	2017	3274	20222	15978	10077	19765	16615	2029	17494	20480	0	17764	5585	9477	1360	19970	19150	23825	40873	23758	25054	10759	17245	26448	5971	5976	3276	18898	12367	13781	14340	17374	28444	18789	12529	0	25316	15093	2723	27572	28795	Phytochemical	0.54545456	1.1818181	0.09090909
16	C11 H13 O6 N1	256.08157	256.08188	0.025166519	256.08157	7472	9334	9427	8303	13011	9536	12214	11420	14158	0	2797	8467	12170	10313	12361	9312	10446	11837	12893	0	2073	8016	13023	14143	8418	0	9859	0	14457	7760	10873	9727	19986	11830	3944	12249	15547	11100	10235	2739	1719	12676	2061	2380	3565	1496	2415	3865	16193	9784	10404	7882	13816	2797	10657	7119	9372	14981	6368	3634	10794	2972	15227	10289	8050	15457	13039	7245	0	0	0	11445	9355	6915	10063	6257	2409	10609	11806	0	10724	2728	3210	0	12057	8090	15378	16427	10201	0	6624	13426	0	5332	1670	3327	9972	7856	7308	6107	10091	19499	10490	4614	0	15530	10154	3145	11192	20171	Phytochemical	0.54545456	1.1818181	0.09090909
12	C11 H13 O6 N1	256.08157	256.0819	0.009737228	256.08157	33401	41817	42002	38510	50942	48402	29681	31014	54447	14874	14040	26925	58423	31416	31319	47178	48194	80429	69683	13167	15258	40269	37102	40380	28116	1024	25718	12636	37271	24980	35347	37097	46182	32900	19140	33358	50840	39690	43833	12195	10068	43893	2659	2047	2844	10726	14764	2837	42750	26900	40961	41079	48151	2593	72862	32763	33489	46178	19573	15458	42921	8772	71446	55050	26933	60190	42489	52321	0	4171	8967	32845	30058	27857	40952	29340	1805	28356	38174	0	27808	11458	12053	4000	35478	28114	41452	44453	48463	60221	29493	33762	64867	17374	17377	2410	38204	44749	36921	33587	33799	56485	29614	14192	0	47270	43374	2545	28411	96970	Phytochemical	0.54545456	1.1818181	0.09090909
8	C11 H13 O6 N1	256.08157	256.08194	-0.00672828	256.08157	95511	108447	80830	105963	177316	116486	62402	73036	202904	50077	60651	75005	248875	69189	76921	116077	132531	237895	252670	57281	69870	92402	95440	91102	43224	6618	67188	34448	81524	64755	75269	91531	139512	85392	76275	72084	131200	64699	149219	46966	85954	122178	3755	1390	2309	47685	54817	1936	95414	65745	101335	107565	162510	2365	222285	119482	96331	104077	48286	63740	109523	46571	256559	209199	85552	212406	126686	145512	27522	25466	32095	77270	72950	52726	73991	72752	1477	61188	78471	40632	55267	30828	31513	16527	133288	94178	92484	150622	159881	135392	46428	68534	142015	51981	39895	2702	108024	97667	123614	140386	133832	137312	71268	61645	17871	111552	151027	1760	50723	352601	Phytochemical	0.54545456	1.1818181	0.09090909
8	C12 H9 O2 N5	256.0829	256.08334	0.051748395	256.08292	0	2901	0	2028	724	0	0	5151	0	0	0	0	0	0	0	6939	9540	937	944	0	0	0	0	0	0	0	628	0	3627	2718	19357	0	11404	0	0	0	11582	0	13761	0	0	1638	0	0	0	0	0	0	24183	0	0	0	0	0	1473	0	0	4015	0	0	0	0	0	1105	0	2111	0	16505	0	0	0	0	1267	0	3892	1882	0	0	0	0	0	0	0	0	0	0	0	0	0	2095	0	0	2719	0	0	0	0	0	0	0	0	8970	0	0	0	7254	0	0	0	0	Unclassified	0.16666667	0.75	0.41666666
8	C8 H17 O6 N1 S1	256.08493	256.08536	-0.27637944	256.08487	0	0	0	0	1596	866	0	0	0	0	0	0	0	42981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14568	0	4896	0	0	0	29117	0	0	0	0	0	0	2315	0	0	0	0	0	982	0	0	4026	0	6649	0	982	7054	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.75	2.125	0.125
2	C10 H13 O5 N3	256.0928	256.09326	-2.13023E-4	256.0928	8560	9988	7661	9029	13918	0	4529	6273	13312	1780	4149	6680	18963	5216	4555	1483	9176	19284	16578	3032	4602	11395	7147	6139	2331	0	0	1654	5946	3653	7280	6569	15215	6769	4016	5308	9377	5814	9937	2882	3681	11779	0	0	0	2958	3089	0	5434	3281	7956	7960	13945	0	14087	10086	6954	9245	2705	4303	2497	1823	26054	15967	8648	20519	12619	12266	848	1233	1311	5588	5406	4713	684	4896	0	4442	6086	0	4254	2187	2501	1150	11042	5776	7184	21195	14472	17454	2749	5075	17561	3088	534	0	9122	7971	8479	14312	12358	7663	5691	3258	1909	14088	8213	0	5384	32303	Peptide	0.5	1.3	0.3
12	C10 H13 O5 N3	256.0928	256.09308	-0.12661968	256.09277	3570	3368	2524	2212	2342	1899	4792	9859	0	0	0	3988	2023	1039	10383	8514	3448	2814	5099	0	0	4764	6659	10655	14634	0	2768	0	6323	3261	6850	6219	9376	7977	0	5897	7017	6562	4007	0	0	3754	0	0	0	2954	0	0	11370	6207	5068	2773	2233	0	1741	0	1892	15325	0	0	0	0	0	0	1516	1806	2760	3830	0	0	0	7338	6768	3252	1622	4928	0	4759	6686	0	3513	0	1158	0	0	2211	6787	5666	6537	7069	0	0	20960	0	0	0	3819	3648	0	1029	0	5730	5377	0	0	15985	1563	0	5860	1720	Peptide	0.5	1.3	0.3
8	C10 H13 O5 N3	256.0928	256.09314	-0.050971303	256.09277	5785	6294	5308	5928	5141	4979	3781	11970	4119	0	1490	4796	5392	3493	8058	14584	4928	9665	10076	2156	3661	10281	9366	14956	4164	0	3203	0	9113	5777	9747	7780	11387	8369	1401	5207	11530	6219	7678	0	1378	4102	0	0	0	4544	1224	0	11144	8457	7450	7795	5111	0	4207	2046	2409	15021	1402	1848	12019	1765	6253	3937	3224	6399	7830	5296	0	1218	0	11913	8518	6735	4022	6630	0	4252	4662	0	2875	1021	1304	0	3587	0	6208	7262	8078	13677	0	0	22852	0	1525	0	5399	4362	2783	1267	0	7863	4971	3447	0	15156	2333	0	3739	8570	Peptide	0.5	1.3	0.3
6	C10 H13 O5 N3	256.0928	256.09317	-0.02706232	256.0928	6394	7795	6446	8383	8029	6249	4267	8926	6904	2537	2293	5292	7938	3473	7807	11727	10538	15495	11740	1912	3043	9408	7914	12400	4291	0	4575	0	6906	4019	11836	8114	11940	7956	4552	5367	9616	7403	10910	2705	2345	8982	0	0	0	2826	1609	0	10369	8704	10714	6794	6861	0	7475	4322	5788	14193	2575	3230	13441	0	8809	5427	7768	9857	8996	14755	0	0	0	7299	5401	4125	3487	6602	0	3940	5165	0	4039	1710	1502	0	7064	7045	9595	11607	10521	23493	5524	3684	26192	1184	1124	0	6405	8113	4417	4820	4257	9466	6957	3247	0	15882	5432	0	5305	17528	Peptide	0.5	1.3	0.3
8	C13 H14 O3 N1 Na1	256.09442	256.09473	-0.029178431	256.09442	2039	1908	1982	1155	2804	2642	5742	1999	689	0	0	4648	930	0	2894	2930	7310	3010	4380	0	0	2399	5080	3480	1038	521	3519	0	1548	2473	3634	2042	3924	3581	1021	1462	2446	3843	14838	0	0	2973	0	0	0	0	0	0	3974	2654	2708	2306	7372	0	1043	0	4283	3400	0	792	0	0	0	2900	3146	2289	12330	16504	0	0	0	4007	2899	0	61849	1817	0	4526	4075	0	3488	0	0	0	0	0	2548	13012	11424	5705	0	0	2642	0	0	0	3671	1136	1655	0	0	2819	3773	0	0	3868	1758	0	3600	3338	Phytochemical	0.23076923	1.0769231	0.07692308
10	C15 H13 O3 N1	256.09683	256.09717	0.012111288	256.09683	7100	6936	5943	7634	4970	2825	1770	4577	5468	22215	21576	3199	5057	2948	2826	7810	8111	3921	6266	20946	28426	9934	3985	7318	3982	21946	6498	15042	3777	3650	3705	3924	5500	4231	15182	3374	5514	3695	11149	10832	19002	5145	666	503	601	6846	14527	0	6340	3244	7305	8724	5073	411	3563	3669	3618	7281	0	6594	0	5067	5311	2936	2839	4254	4965	10263	15293	19393	23376	6133	4233	3669	5134	5465	0	3481	8983	14890	4124	3888	2809	10204	4290	3415	5962	6209	5254	14456	9052	4091	13010	11399	20004	790	6435	9333	4116	3255	3337	7113	3331	6244	0	4212	1627	0	5674	4819	Phytochemical	0.2	0.8666667	0.06666667
14	C15 H13 O3 N1	256.09683	256.09714	0.020567656	256.09683	11099	12238	13874	16055	7714	6772	10776	7054	8181	24014	34766	8228	4945	5052	5524	18774	17135	9314	9028	28643	34778	22824	5866	15619	8487	51783	10974	29090	9198	7850	9193	11110	12509	7579	29834	7365	12379	6333	20616	28889	43938	9597	0	500	752	18379	28632	851	9908	9652	12318	11910	8311	408	4885	2760	7187	14125	0	11842	0	15524	8810	5824	5614	7120	11205	20358	33819	41672	56560	10861	5935	4396	10965	8070	553	5118	12279	39748	8730	7870	9160	23791	6310	3742	17234	12028	11554	38631	20805	14955	32258	28544	37759	858	15075	13025	5288	4611	4647	11841	4768	9846	0	15395	5023	542	14146	6135	Phytochemical	0.2	0.8666667	0.06666667
18	C15 H13 O3 N1	256.09683	256.0971	0.012444434	256.09683	14515	16929	14309	16723	6989	4945	6506	6751	3158	36442	48865	7977	2687	5897	3425	13087	8325	4190	9708	31052	41942	21181	3737	13565	5932	46580	4997	43048	7857	5314	9690	7205	10411	0	28864	4495	10899	7507	7705	36432	84169	6313	1290	506	641	14662	33508	1023	10231	5257	12351	11815	5094	692	2868	2997	4794	17678	9307	23816	14390	25288	5396	3215	5163	7788	7635	12845	31968	36378	65527	6815	4583	2926	5329	6736	764	2354	7625	51597	8597	16661	8448	33109	4408	1791	13546	6931	8511	29816	21894	23278	19767	42272	41610	1161	15088	12301	3981	3896	3250	6281	5730	18905	13260	11717	3399	793	9112	5759	Phytochemical	0.2	0.8666667	0.06666667
20	C15 H13 O3 N1	256.09683	256.09708	-0.020574763	256.0968	6665	5317	6129	4940	3666	3632	3617	4606	3182	10561	21025	3009	1866	3148	2634	3397	4275	0	3540	13288	15254	12122	1693	7598	1737	17800	1855	17970	5080	2267	2746	3423	5998	3118	4478	1594	4467	2016	4548	15665	35698	1638	1215	0	678	8754	15597	1198	3401	0	4358	7741	4741	839	0	1257	1822	5589	3607	13268	2678	9902	0	1826	0	3819	5424	8971	26099	13302	34074	3203	2439	2040	3494	4091	389	2295	6630	24009	2927	8461	5095	15056	2267	3925	5861	5163	3523	15179	9761	7416	10201	18495	6854	809	5135	5917	2277	1456	2207	5158	3519	6659	8275	6239	2319	621	4733	0	Phytochemical	0.2	0.8666667	0.06666667
8	C15 H13 O3 N1	256.09683	256.0972	-7.1078E-4	256.09683	7767	8452	7604	6784	4533	4570	3741	4144	4682	21729	27052	3646	3306	4980	2953	10617	5447	4728	8339	21091	32667	6649	5430	7591	3865	13611	4658	22356	4906	4508	3587	4780	5068	4302	20694	4643	6992	2717	7591	8963	16042	6267	663	383	333	10024	12037	421	7200	3210	5237	7507	5732	419	3608	2567	3678	5391	1179	4618	5804	3682	5539	3630	3663	5212	5750	8775	12166	13896	18024	6777	3600	1792	2748	5066	338	2835	6555	10740	5443	3083	1812	6693	4319	0	6740	5333	4426	15800	0	0	11662	12180	19353	414	8385	6419	3746	3142	4055	6573	3467	1851	0	8145	3736	456	4420	5336	Phytochemical	0.2	0.8666667	0.06666667
16	C15 H13 O3 N1	256.09683	256.09714	-0.004059194	256.09683	12633	13034	13860	17379	6901	4764	5622	7607	3066	26154	42070	7501	5510	3973	5464	14964	10292	7890	14451	32693	31843	28336	6590	14445	5924	38220	5193	32813	9293	6769	5914	0	11153	8445	28260	6884	12816	3294	10901	30772	55299	7369	1107	712	608	14442	28955	892	10721	4935	12161	16605	7258	679	0	4394	4587	7774	5924	17549	9541	17710	7970	4360	3128	8380	8496	13574	34315	33831	55030	7952	4744	4204	8326	7475	610	6385	8098	37835	7582	13608	9057	26936	5990	3812	11855	10640	10514	26545	17746	16011	0	32603	34679	931	12613	8175	6934	5597	5650	8232	4804	9750	9236	0	3613	450	5543	7195	Phytochemical	0.2	0.8666667	0.06666667
12	C15 H13 O3 N1	256.09683	256.09717	0.008871562	256.09683	9523	13979	10315	8861	6134	4117	6944	8080	6182	29582	29402	3505	3056	4378	4429	10792	8223	8324	10673	24195	33719	14697	5973	9482	5697	33849	3035	15003	7580	4740	5763	6961	13432	5869	30224	3856	9414	5473	9748	25201	34205	6174	441	377	415	11439	22546	641	10492	7297	11193	11041	6963	348	5668	3965	4500	11128	0	8259	0	6385	7276	4852	3179	7950	8192	14950	26442	39900	59301	4825	5528	3927	8346	7048	395	3689	8205	15403	7463	8684	6040	16340	4812	3460	10360	7437	6467	22412	15351	9072	13313	23388	26296	721	11398	10035	4348	3057	4521	7242	4096	9204	0	10160	2977	687	8692	5192	Phytochemical	0.2	0.8666667	0.06666667
6	C15 H13 O3 N1	256.09683	256.09723	0.03542352	256.09683	7120	6838	6657	7783	7797	5177	3770	5954	7876	22527	16585	3992	7417	5030	3852	8589	5939	6619	11348	17519	20958	9323	5445	9451	5487	14927	4010	19621	6505	3909	4264	5059	7984	4919	17688	4705	7776	4709	6854	7816	9920	6034	0	302	363	6749	10420	519	5919	4466	8050	7512	7338	213	6511	3973	3725	8663	0	3418	8510	3436	7297	3311	2555	8130	4581	11044	9611	12902	15801	4908	3932	3017	4102	5070	420	2821	8238	7136	4729	3460	2112	5914	6309	3665	10004	6130	6204	12938	7370	4761	9833	9535	18322	499	7083	6592	4857	5364	7081	10019	4468	4390	0	8377	3205	336	5190	8065	Phytochemical	0.2	0.8666667	0.06666667
16	C12 H17 O3 N1 S1	256.1002	256.1005	0.009494645	256.1002	0	0	2418	3969	1386	0	0	0	0	9523	5200	0	0	0	0	2487	1966	2665	0	10179	8105	12054	0	0	0	0	0	6797	0	0	0	0	0	2639	4935	0	1742	0	3322	9497	12758	0	0	0	0	7602	13919	0	0	0	3009	2347	1494	0	0	0	0	0	7312	9909	0	6017	0	0	0	0	1869	2176	0	0	0	0	1361	0	0	0	0	0	0	10030	0	9668	3760	5869	0	0	0	1151	0	0	27741	26928	0	13493	28664	0	5521	2309	0	1275	0	2374	0	7865	7156	0	1636	0	0	1906	Organosulfur	0.25	1.4166666	0.083333336
8	C14 H13 O2 N3	256.10806	256.1084	0.04121771	256.10806	4130	3756	5599	4725	931	2833	2891	7155	0	3629	4943	2905	0	0	2730	12269	10942	0	2933	2962	2815	2678	4033	10277	6813	1892	3625	0	7715	5139	5674	8418	8947	7126	3275	6699	8161	3641	9662	1497	3888	6709	0	0	0	2698	1655	0	7461	5961	6465	5849	1963	0	869	501	2510	9497	0	0	9486	0	0	980	0	0	4207	16555	0	1349	2874	7066	5894	2961	7342	6190	0	3571	7321	3978	4640	524	928	3229	0	0	6884	4863	3875	31752	0	0	13915	2037	2911	0	4269	4448	0	0	0	6469	3980	32345	0	7693	0	0	7988	1334	Peptide	0.14285715	0.9285714	0.21428572
12	C14 H13 O2 N3	256.10806	256.10837	0.12686394	256.1081	2204	0	2271	0	0	0	3178	5773	0	0	0	1895	0	0	4503	5209	8527	0	0	2494	4753	0	2185	8816	6805	1681	2675	0	4067	2869	3558	3419	6026	3736	2501	3803	5779	5212	6951	0	0	2285	0	0	0	0	0	0	5042	2747	2970	1489	2779	0	0	0	1813	3868	0	0	0	0	0	0	1025	0	1211	9203	0	0	2228	2616	3463	1594	3010	2818	0	1715	4081	0	3977	1228	1339	1962	955	1058	6069	3329	1165	24873	0	2195	15278	2897	2963	0	2315	0	0	0	0	2085	2431	0	0	8684	0	0	5411	0	Peptide	0.14285715	0.9285714	0.21428572
16	C12 H17 O5 N1	256.11795	256.11826	0.0336816	256.11795	22331	27791	31542	34206	33451	31261	30816	33277	23455	13559	16134	24980	30295	27925	47740	38302	51826	51659	44286	13919	17515	26601	35197	42413	52630	2626	27236	20430	39240	32694	40811	30589	50508	38081	15537	38084	45750	29840	55785	12889	15838	28884	4934	4143	7245	15883	11910	6400	40483	25296	28656	28296	34092	6088	26860	21459	24730	47583	18318	20589	36684	7774	26654	19431	20779	40891	31884	53444	4275	4728	3834	31369	27391	32662	31577	33622	6004	24023	28533	18619	24621	15227	23049	10634	23571	29060	36397	39605	35753	32486	44227	50281	46940	10972	11505	6554	33764	30013	18851	21605	30408	43487	24570	21294	10442	40129	25145	5061	38483	36733	Lipid	0.41666666	1.4166666	0.083333336
14	C12 H17 O5 N1	256.11795	256.1183	-0.014063761	256.11795	193799	207554	181261	199657	148398	147694	208507	182070	115717	122388	89695	137838	138484	89953	116089	279217	209797	202846	180624	119742	102615	197123	100507	172260	120171	17072	187052	61672	187428	179112	212292	308413	236352	309699	111167	220588	303683	94015	249254	118332	98282	134710	7084	4744	5827	80945	74821	5809	268091	159435	206906	184990	157847	6208	141461	79638	93947	375195	91002	83770	236332	53803	102785	111162	65078	165788	126441	260861	20576	38575	35562	218210	241613	200210	237904	235080	4450	120383	107192	66887	73695	52449	97171	62681	86640	82904	144008	202716	206972	424829	174734	229407	286532	65086	93937	7697	192421	147042	83344	79972	97202	254230	152209	123611	35596	281883	104996	5147	153749	151702	Lipid	0.41666666	1.4166666	0.083333336
12	C13 H13 O1 N5	256.1193	256.11975	0.51762885	256.11942	636360	775954	746960	744184	481903	438180	528261	606228	470428	428739	257002	261417	479893	265525	585111	1244183	415741	722793	673474	544961	382431	706564	476810	849115	678958	57570	553519	231677	819694	915620	666888	1440319	1031290	1163666	470000	1042271	1278790	459203	485236	306544	281314	546727	11854	5636	5947	319971	211331	5531	1229413	727974	734696	786148	529673	6480	584260	230530	250838	1382955	238526	184099	1147506	171326	402667	380445	188756	544630	457921	429884	64145	159227	101087	764522	874430	1063220	749244	975465	3922	391455	221080	165518	224235	189573	226302	171316	215579	330247	400099	504914	546898	463801	749265	687043	1115068	190220	455743	8594	766833	750688	280219	211050	222648	1395631	368666	425570	108584	711774	377818	5303	351944	645821	Unclassified	0.07692308	1.0	0.3846154
10	C11 H17 O4 N3	256.12918	256.12946	-0.19621454	256.12912	11230	13195	7214	7285	2332	2967	14532	6748	2669	0	1792	5985	1163	1760	4191	13731	24281	2453	4318	1868	0	5622	3070	8162	4678	0	20469	4767	35363	12463	11682	34212	46060	29397	0	16404	39523	4534	55266	0	2111	2725	0	0	0	3093	1700	0	24164	6237	10792	10494	4606	0	1682	644	1994	19528	2516	3023	10015	1171	1790	0	1551	4551	3123	46471	0	0	0	11124	23359	5685	30262	29687	0	7208	5358	0	5331	1614	4329	1614	2004	2924	4905	9655	6443	14845	5557	3524	10531	1582	0	0	8292	9628	2109	1615	1020	28957	12788	0	0	12047	1022	0	6062	2729	Peptide	0.36363637	1.5454545	0.27272728
12	C11 H17 O4 N3	256.12918	256.1295	-0.16160329	256.12915	2949	2409	6747	4855	0	1224	0	7713	1037	0	0	7610	1211	2678	2823	7093	37397	1747	2582	2493	0	0	1604	0	3649	0	11507	0	6847	12970	3350	9639	7274	8287	0	18575	9066	1798	17497	0	0	1796	0	0	0	0	0	0	12224	9770	3290	1651	2630	414	1518	999	0	2532	0	0	0	0	1374	0	1563	1857	2342	18072	0	0	0	6710	12409	11224	14492	4214	0	5248	1579	0	1401	0	1239	0	0	1248	2763	3442	2419	7961	0	0	7796	0	0	0	4416	2150	0	1059	0	18715	3052	0	0	6565	1028	0	4094	1135	Peptide	0.36363637	1.5454545	0.27272728
10	C16 H17 O2 N1	256.1332	256.1335	-0.105852336	256.13318	16977	13364	15474	17819	6549	7345	5796	16022	3270	61547	53954	8099	4451	7582	7625	25812	13315	7383	8428	83976	76640	5828	9145	27343	9399	51774	9162	66950	15851	13040	11137	14663	18310	18111	54512	16033	17542	5964	13857	15650	17217	7527	0	0	0	12260	11849	0	16108	17100	16515	16135	9030	0	3254	2396	4711	20328	0	4154	23294	3878	1962	2083	3472	7663	12389	20455	26345	47931	55599	16057	13228	14348	15306	14541	0	9552	8610	14018	7292	5064	886	16786	2088	2258	8262	11225	7808	32793	21590	1749	27868	14034	31359	0	16551	14763	3879	1825	0	18298	8466	5576	0	17643	1727	0	8392	2515	Phytochemical	0.125	1.0625	0.0625
18	C16 H17 O2 N1	256.1332	256.13348	0.047505315	256.1332	6446	2584	4070	3801	2118	0	2877	2562	0	9275	23775	1849	0	2380	0	3400	4534	0	0	12285	12268	8027	0	3243	2406	32414	3518	43543	3076	1586	1734	3654	7948	0	8825	2754	3748	2121	5660	9445	25102	2329	1115	0	0	5527	10988	0	4923	3654	6342	6585	1273	0	1950	0	1885	4940	2361	10077	4232	8918	1904	0	1342	2243	2402	4568	31956	24925	36617	1180	3888	2296	4302	0	0	2353	0	102509	2194	7471	4214	12853	1741	1322	2707	2003	2903	9434	8234	6398	3748	18596	12715	0	6112	4965	0	0	0	3202	1570	6030	4029	3290	1969	0	2278	0	Phytochemical	0.125	1.0625	0.0625
16	C16 H17 O2 N1	256.1332	256.13348	0.012623597	256.1332	2170	5196	3553	2883	1990	1584	2503	4827	1443	10538	13426	1058	0	1541	1574	0	3267	0	0	10922	17373	3798	1532	4986	2633	28451	2628	16145	1955	4493	4997	3836	6524	4986	12966	5244	4284	1577	4001	8145	18714	1364	0	0	0	2748	7210	0	1574	9352	3357	2942	2062	0	0	0	1222	4035	0	3871	0	3193	0	0	0	1490	1601	6317	19939	17155	38158	4870	2841	3397	2931	2957	297	1643	3563	8000	0	3081	2008	8523	0	1493	3475	2950	2003	0	4996	2197	0	8386	9003	0	5357	3489	0	0	0	6660	2231	0	0	0	0	0	2120	0	Phytochemical	0.125	1.0625	0.0625
20	C16 H17 O2 N1	256.1332	256.1335	0.011046433	256.1332	4452	2886	5025	1922	1715	1789	1633	0	0	3957	7920	1640	0	0	2324	2119	2388	0	0	5437	6116	4686	0	3136	2752	31863	0	12290	2664	0	1498	1389	1693	3219	3983	1526	1950	0	2218	10042	19048	1347	0	0	343	4017	10521	0	0	2002	3744	2550	0	0	0	0	1151	3132	1548	6718	2653	3597	0	0	0	2026	2448	2495	26041	13064	36529	0	2038	1447	1638	0	269	1171	3122	14530	1150	3545	4023	8203	0	0	1767	4707	1564	7427	8829	5754	6929	13244	5155	0	2333	2135	1567	0	0	1915	1806	4078	2157	5011	0	0	1643	0	Phytochemical	0.125	1.0625	0.0625
14	C16 H17 O2 N1	256.1332	256.1335	-0.03188079	256.1332	3503	5767	5089	6870	2093	0	0	2493	0	17740	17436	1764	0	0	2130	8745	4279	0	2833	15465	15485	0	1652	4882	3753	29256	1961	13293	3714	1924	2606	0	5016	3793	7755	4448	3245	2270	3365	6329	12600	3004	0	0	0	3663	4818	0	4570	3018	2693	4065	4231	0	0	0	1256	6335	0	0	0	2775	0	1395	758	2013	2643	8011	0	26220	30932	2373	2712	3270	2782	3426	0	2953	3675	0	2694	2074	1454	11142	0	0	3360	2398	2418	20372	8952	0	12212	0	10929	0	7712	3873	0	1054	1987	3769	2214	2684	0	7044	0	0	3517	0	Phytochemical	0.125	1.0625	0.0625
12	C16 H17 O2 N1	256.1332	256.1335	-0.13969932	256.13318	8611	7696	9054	11292	7969	4673	3167	6852	4206	24914	19171	2583	2990	8827	2588	8749	9100	5861	4579	31535	33907	5333	3375	7866	4495	43421	5410	23277	5021	5684	3893	9786	7663	7907	19685	4748	8665	4462	10827	9483	10577	5402	341	0	0	4231	10201	0	6078	6469	7619	9468	5285	0	5756	4512	1689	10893	0	0	0	1625	2935	5184	3443	4729	6737	9505	23352	36018	47162	5111	6389	3920	8732	6103	0	4093	5521	0	3605	952	1007	10875	1920	1223	4548	6427	4167	24831	10627	2492	17056	6029	16784	0	11125	7416	4183	3797	2917	9007	4231	2667	0	14036	2427	0	5173	3831	Phytochemical	0.125	1.0625	0.0625
2	C15 H17 O1 N3	256.14444	256.1449	0.068461135	256.14447	4330	3293	3458	3265	0	0	6469	13700	0	2075	2620	10777	0	0	9255	8518	19033	0	0	4633	5944	691	7021	8872	6147	406	3719	2481	9246	12792	8894	9906	7495	13529	0	13347	8132	7362	15962	6371	1251	0	0	0	0	2781	3876	0	11744	13379	3326	2816	968	0	0	0	1199	7481	0	0	7736	5367	0	0	0	0	1346	18496	0	626	713	0	13677	16049	23232	13372	0	8234	6004	4157	7321	0	660	8772	0	858	3431	3313	1932	6102	5382	0	9312	3125	3527	0	4288	4604	0	0	0	8444	9416	3516	2517	7252	0	0	6776	0	Unclassified	0.06666667	1.1333333	0.2
16	C13 H21 O4 N1	256.15433	256.15463	-0.007211537	256.15433	52642	56185	61528	54016	60497	47572	84222	56135	30191	50318	42070	42079	49540	53101	50343	81088	93218	70668	67379	80040	65300	55468	42411	48358	62063	36526	86201	38894	75026	69546	54698	68778	104847	78286	56560	87173	104689	36551	92280	40106	41682	57821	6034	2340	2798	49825	55757	2789	75837	53607	55107	56967	51247	10762	42451	41271	32433	84569	44212	47280	79354	22753	42083	31879	32920	65988	58540	73333	21821	21076	20331	63691	67854	80569	96213	70586	2694	35671	41089	68525	22277	38840	61549	144176	50673	38932	66609	62516	52742	57184	97342	97260	73670	42359	71742	3854	56588	70688	34522	41852	72405	109957	39527	65013	52688	67984	48257	2283	49686	47126	Lipid	0.30769232	1.6153846	0.07692308
20	C13 H21 O4 N1	256.15433	256.1546	-0.003857586	256.15433	9103	6987	8302	8929	8970	7223	10391	12027	5219	0	3623	12293	8019	9475	10727	21235	27628	16494	5962	3317	5651	3126	10518	8814	14372	0	14251	3551	14452	12687	9811	18680	19145	13508	2247	20838	22164	6392	25660	2514	2588	11121	2698	3255	2899	5471	5141	2409	14755	11342	12031	7140	10426	2041	7933	7648	6237	22272	4409	3897	14478	0	2757	4666	9020	11877	13577	29337	1814	0	0	9336	14334	16548	20031	14356	2033	8626	6039	6884	5458	3902	5679	0	8996	9707	12038	12265	9876	9090	12547	8669	9209	2427	3654	1736	10005	11966	7765	9075	13852	26890	10565	6251	20352	13031	8898	2536	10422	4996	Lipid	0.30769232	1.6153846	0.07692308
8	C12 H21 O3 N3	256.16556	256.1659	-0.102269895	256.16553	6762	8570	6654	7935	3441	3231	5999	8006	2882	3220	2303	3674	3257	1967	7584	11503	7841	2946	6572	2364	1861	13246	7273	11782	8757	603	7365	2027	7187	7135	7158	9350	8674	8591	5154	9487	11275	7141	12784	3901	3087	4235	0	0	0	6624	4632	0	8408	8004	6053	9596	4155	0	2320	1163	4054	16381	0	1371	9253	1237	5755	2774	2211	3233	6020	11839	0	2147	0	6271	6651	7488	8183	8899	0	4472	12195	16809	5113	2459	2518	2151	2230	0	13128	5261	4107	36208	23249	9991	36717	4293	3547	0	7446	6166	1198	1656	0	10623	6453	4954	0	12533	0	0	13047	3868	Peptide	0.25	1.75	0.25
24	C17 H21 O1 N1	256.1696	256.16998	0.12327065	256.16962	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21709	0	0	0	0	0	1096	0	0	0	0	0	0	0	1036	2624	0	0	0	0	10074	16683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14202	6199	10025	0	0	0	0	0	0	0	0	0	0	9900	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7379	0	0	0	0	0	Phytochemical	0.05882353	1.2352941	0.05882353
6	C11 H21 O2 N5	256.1768	256.177	-0.25248212	256.17673	0	0	0	1911	1991	0	0	0	0	0	0	0	3252	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40657	0	0	0	0	0	0	2318	0	0	0	0	9779	0	0	0	0	0	0	0	0	3822	0	0	6149	607	455	0	0	0	727	0	0	0	0	0	0	0	2302	0	0	0	0	25014	0	0	0	0	0	0	0	0	37719	0	0	0	0	0	0	790	1179	0	0	0	0	0	1477	0	0	0	4128	0	0	1841	0	0	0	0	0	0	0	0	4362	Peptide	0.18181819	1.9090909	0.45454547
8	C14 H25 O3 N1	256.19073	256.19107	-0.08918126	256.1907	34903	40501	39799	40236	8815	5882	22958	101824	5127	17683	22943	176931	7051	5029	483548	92802	16802	7830	12270	20080	17379	19196	13732	22079	14355	4748	25216	23336	227436	115924	336655	28984	24865	22646	22506	27474	27789	365750	22405	15461	13617	8261	0	0	0	14664	16032	0	76913	115612	37727	39291	8947	0	4537	1708	4875	47022	0	3515	55582	8385	5191	3764	10821	9421	10781	24002	15947	13083	8306	121401	54603	30414	22422	256914	0	353214	14782	27361	9595	2196	2312	14226	4085	0	74299	8765	8253	41076	40275	11478	33314	15212	23911	0	41808	37799	4642	6285	8432	21650	216765	18060	0	28853	5311	0	14949	5948	Lipid	0.21428572	1.7857143	0.071428575
20	C14 H25 O3 N1	256.19073	256.191	0.004244951	256.19073	8576	9292	6579	6010	6705	10908	16425	8350	2414	6971	8803	4205	4863	26545	6670	16876	28351	4845	5890	4619	12544	2323	5636	7153	12972	0	19746	14389	10589	9491	5273	11129	13826	10410	4435	11655	10918	6708	17834	2262	3214	9534	3807	643	995	5285	9907	2250	11877	10763	9398	8274	7105	4018	0	5182	6270	12324	4055	9209	12570	1695	4637	1801	9315	11394	16530	22816	2416	0	1752	7841	9017	11275	28215	10307	1554	3098	11016	26703	7138	4373	3551	0	5131	6649	20644	7307	7434	17251	16615	11786	10452	6673	4143	1175	5821	12114	9455	2947	12330	14802	3481	7561	7529	14056	7941	702	14742	5709	Lipid	0.21428572	1.7857143	0.071428575
22	C14 H25 O3 N1	256.19073	256.19098	-0.029290354	256.1907	7092	5626	7858	6148	6555	7610	5986	7105	1310	9156	9554	3786	7460	10197	4663	9690	12340	3632	3378	10111	16502	7048	2507	4471	7345	0	7399	11210	5855	7152	5992	7751	6453	8567	7045	11070	6157	4282	8485	3316	4718	9752	4122	0	1294	8760	12409	0	7843	9282	5438	7520	7070	4249	3110	3918	6030	8706	5980	6322	11146	1436	3131	2905	7511	9559	12815	8208	0	0	0	4608	3706	7725	7998	9802	3691	3258	3710	18498	2357	6245	5256	2449	3772	6853	17098	6891	4254	8284	24907	13669	13454	7028	11330	0	6119	7164	5504	3594	4700	9217	3313	8141	8768	9411	7044	0	4049	5714	Lipid	0.21428572	1.7857143	0.071428575
10	C14 H25 O3 N1	256.19073	256.19104	-0.103622735	256.1907	19715	19932	18370	20243	4224	3205	7906	12755	2019	12202	12354	23933	3187	2759	10002	70714	16243	4381	5511	9466	7293	10581	8833	12908	5862	2772	9082	3578	12898	14279	0	13718	18565	12620	8158	10413	15802	117661	18449	5396	5453	3968	0	0	0	8970	6342	0	93072	11377	21458	18706	3467	0	1067	996	3505	67054	0	2834	82157	2359	0	1345	3921	4233	4900	27161	0	4685	5275	21661	15379	9953	19841	16511	0	19138	9811	0	25901	1008	1095	3508	1328	2458	9259	4802	5662	18114	28294	4141	18242	5812	8667	0	19428	16518	1852	1414	1207	16020	42895	7372	0	28578	1580	0	11810	1858	Lipid	0.21428572	1.7857143	0.071428575
18	C14 H25 O3 N1	256.19073	256.19104	-0.002860551	256.1907	14293	13711	11882	14355	14477	13199	29655	30535	2828	5238	7839	17606	10520	24430	11322	34569	95661	7802	6911	4758	9361	4397	8967	17618	13062	3023	32617	11132	30823	43652	29966	35212	35642	38459	0	44651	29699	11525	100665	0	4195	14601	5498	0	290	4433	6552	0	30819	29323	15863	16224	14194	999	2855	9061	6383	32715	0	6604	24802	1068	4886	3973	9287	15450	17676	101927	1564	2352	7620	21356	19378	43568	85251	48860	381	16379	6669	14396	14925	4924	5547	3165	7237	9097	10670	10696	10433	18863	11124	8951	9216	2050	5842	527	14548	17669	4872	6640	10749	38049	17031	4998	3658	19885	10077	352	15765	7421	Lipid	0.21428572	1.7857143	0.071428575
16	C13 H25 O2 N3	256.20197	256.20227	-0.030503822	256.20193	0	0	0	0	0	28383	0	0	0	0	0	4814	0	0	2701	0	0	0	2470	0	0	0	0	0	0	0	0	0	0	0	0	0	3596	0	0	0	2664	0	0	0	0	4084	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12990	0	0	0	0	0	0	0	11842	0	2789	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5447	10289	0	0	0	0	0	0	0	0	0	1738	0	0	16039	2820	0	0	0	0	0	0	0	Peptide	0.15384616	1.9230769	0.23076923
8	C13 H25 O2 N3	256.20197	256.20224	-0.15404181	256.2019	11186	8280	6408	11411	0	0	58672	18833	0	0	2498	17627	0	0	16489	34824	85090	0	0	1042	1238	0	740	1449	19974	0	46195	2275	8824	94235	8513	17295	2699	3433	0	42665	9690	21092	109431	0	0	852	0	0	0	0	0	0	6568	73817	8893	8579	0	0	0	0	0	8073	0	0	9733	0	0	0	1695	0	0	64510	0	0	0	2927	17349	107911	33505	174268	0	670	0	0	0	0	0	0	0	0	0	1289	0	3872	0	0	0	0	0	0	10204	10482	0	0	0	21007	14339	0	0	5615	0	0	29268	0	Peptide	0.15384616	1.9230769	0.23076923
22	C15 H29 O2 N1	256.2271	256.22745	0.008076822	256.2271	1652	0	0	0	0	2876	2217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4045	0	0	2602	0	1386	22260	1260	0	0	0	0	0	0	0	1405	0	0	2780	0	0	0	0	0	0	4097	7688	0	0	0	1205	0	0	0	0	0	3994	0	0	2524	0	0	3500	1785	2119	0	0	0	1266	15078	20080	0	35807	0	0	0	1649	0	0	0	1794	0	0	0	2042	0	2332	4005	0	0	0	0	0	1414	1370	0	0	0	0	0	0	0	0	0	0	0	3369	Lipid	0.13333334	1.9333333	0.06666667
12	C15 H29 O2 N1	256.2271	256.22736	-0.07286439	256.22708	3720	5407	4948	3758	0	2873	2394	18734	1111	2836	0	1035	0	1045	5060	41082	0	5689	25914	5397	0	0	3168	0	19168	0	4402	0	15073	2118	18340	6066	26089	8366	6451	10454	21123	1629	0	1406	0	5722	0	0	0	8817	0	0	5808	0	4921	5492	9981	0	0	0	3495	12305	0	0	0	0	0	2807	14305	2824	4976	0	0	1198	0	4176	2240	0	0	2792	0	2401	5592	0	996	0	0	3333	0	9377	12429	16729	85875	8137	17995	0	17729	0	2122	0	4228	4377	0	0	0	20102	1297	0	0	30221	0	0	4342	2000	Lipid	0.13333334	1.9333333	0.06666667
6	C15 H29 O2 N1	256.2271	256.22745	-0.09669314	256.22708	1249	1350	1359	738	449	627	2152	977	437	1342	814	668	949	1108	1026	1545	989	604	0	900	0	1437	703	1635	1527	1069	1914	0	1130	548	1087	743	1289	798	2463	1363	1351	467	1779	0	0	1074	0	0	0	0	0	0	0	1001	1239	1512	753	0	762	774	0	1351	0	0	1593	0	0	0	0	946	641	1429	0	0	0	824	930	1416	1407	1206	0	819	2704	0	1022	0	0	3557	1045	0	7798	0	1162	8643	22705	2342	3449	952	0	0	1933	1227	473	930	1020	1272	0	0	0	3718	0	0	1244	0	Lipid	0.13333334	1.9333333	0.06666667
4	C15 H29 O2 N1	256.2271	256.22754	-0.017822929	256.2271	10508	10923	11042	8967	453	2444	8270	25295	0	6062	6044	8248	324	0	7156	22782	18869	2068	2916	12227	12793	13319	7094	16175	8871	2687	7946	4168	11563	11359	17287	13009	11330	6972	11527	12790	10839	7304	16345	20911	22021	7984	0	0	0	8589	11025	0	20028	28147	9401	8757	4565	0	289	0	2853	15285	0	729	16751	10954	0	576	2438	1864	0	21084	1358	2789	3193	16287	9731	14325	12576	8632	0	8146	9311	10476	8751	2131	4151	16344	518	3351	8080	1822	6151	14717	23157	7142	18199	12635	18468	0	11092	10612	0	0	645	9277	6639	23719	0	12021	0	0	9614	398	Lipid	0.13333334	1.9333333	0.06666667
10	C15 H29 O2 N1	256.2271	256.2274	-0.023613667	256.2271	1297	2355	0	2216	0	1270	2242	3095	0	1242	0	0	0	0	0	1875	1125	0	0	0	0	2388	0	1463	2814	0	2648	0	2219	1061	3561	1917	0	1269	0	1660	1476	0	1485	0	0	1305	0	0	0	0	0	0	2329	997	2691	1209	823	0	0	0	581	3356	0	0	0	0	0	0	0	0	1149	1448	0	0	0	2274	2165	1008	0	2017	0	1698	3182	0	0	0	0	5077	0	752	17684	1322	0	16766	29450	2330	4367	1629	2505	0	1881	1019	0	0	0	1650	0	0	0	4955	0	0	2590	0	Lipid	0.13333334	1.9333333	0.06666667
14	C15 H29 O2 N1	256.2271	256.2272	-0.041143272	256.22708	2592	4427	3996	4770	0	0	1972	0	0	0	0	0	0	0	0	2271	0	0	0	0	1528	0	0	0	0	0	1727	0	1718	0	28699	10636	85380	13385	0	2840	72731	0	0	1202	0	0	0	0	0	0	0	0	2714	0	2074	5848	0	0	0	0	0	26133	0	0	21339	0	0	0	0	0	0	1468	0	2111	0	8278	0	0	0	0	0	1392	0	0	0	0	0	2337	0	0	3113	0	3247	0	18371	0	0	0	0	0	2598	3274	0	0	0	75648	1090	0	0	4255	0	0	1193	0	Lipid	0.13333334	1.9333333	0.06666667
14	C16 H33 O1 N1	256.2635	256.26367	-0.06538423	256.2635	0	0	0	1680	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2717	0	2603	0	0	0	0	0	1873	0	0	0	0	0	0	0	0	1501	0	0	0	0	0	0	0	0	0	1803	0	0	0	0	0	0	0	0	0	0	0	0	17075	0	0	0	0	0	0	0	0	0	0	0	261	0	3435	0	0	0	0	0	0	3485	4095	1624	37823	8826	16645	0	10310	0	0	0	0	0	0	0	0	2581	0	0	0	38593	0	0	1644	0	Lipid	0.0625	2.0625	0.0625
14	C14 H8 O5	257.04446	257.0448	0.044143744	257.04446	9231	8960	10056	8104	21176	12397	8240	3691	18470	9340	7866	9017	23389	12412	10195	10200	10727	30346	31600	4714	8387	14885	9938	6429	6878	1946	10712	0	6120	4735	3673	0	11876	4526	12472	5483	9061	7339	11652	4571	7308	11325	0	638	1003	5860	6666	1489	6600	2583	11145	9980	15083	1267	23313	16513	13239	8947	0	0	0	3110	26907	21132	8890	31168	14384	6599	0	3409	5245	6032	3831	1978	4785	6811	750	7463	11885	0	11028	4776	3362	3236	14303	10303	16178	16579	20320	14023	4304	6121	11038	9609	10148	1338	13177	10318	15541	20059	14369	7843	9013	4930	0	7746	10836	768	7430	27526	Phytochemical	0.35714287	0.5714286	0.0
12	C14 H8 O5	257.04446	257.0448	0.043729026	257.04446	7024	11935	6288	7982	11321	8921	4005	2238	16255	6209	6729	4892	13561	7930	4761	5331	5814	19499	21823	4145	3123	14827	5885	6389	2310	1191	3920	0	3762	3914	2159	3778	7976	3187	6609	4098	5812	5817	6180	3515	0	7436	743	819	847	3681	4181	1157	4165	3588	7149	9917	11133	569	14960	9808	6913	6421	0	0	0	0	20938	14423	5016	18772	8535	6144	0	1645	2473	2800	3407	2534	4955	3616	673	4791	6914	0	9333	4435	2537	2640	14337	8312	9858	6905	9650	8165	7779	4550	9000	10950	8204	1820	7895	10285	9496	13232	12988	8712	6227	0	0	5537	9769	731	4938	15582	Phytochemical	0.35714287	0.5714286	0.0
18	C14 H8 O5	257.04446	257.04474	0.039895844	257.04446	9792	11732	9320	6939	15630	13375	6765	7454	11485	9677	3733	5755	18740	15721	8679	8644	10358	31747	38963	0	4989	8650	14166	10970	12521	2580	8257	4663	0	6543	4388	4252	11338	5579	8212	4519	9691	7543	9594	1885	2951	14044	1861	998	1449	2472	2449	1577	4648	4533	10124	8256	13135	1421	16619	7451	9737	12556	1830	1087	9534	1048	22773	14413	9366	21288	16667	5999	3027	3934	0	4128	3883	2116	6381	7159	1191	3859	16556	6522	10243	4372	0	0	14504	12533	20648	22520	18392	12576	5717	3112	12764	5080	8293	1994	6792	6715	10386	8118	10748	10588	5525	2364	3167	7291	9933	792	12336	21457	Phytochemical	0.35714287	0.5714286	0.0
16	C14 H8 O5	257.04446	257.04477	0.06413371	257.04446	7395	10060	5671	11956	17989	14781	6460	7355	18678	8918	5179	8051	22380	15913	10547	10900	10603	39108	41930	4107	6805	16954	10896	9436	9412	1315	8109	4562	8857	5584	4891	3452	8506	6938	13003	2504	10408	7945	6289	6313	5348	9051	1606	596	1431	2843	4130	1665	7355	4829	9749	12180	19316	1379	16947	12612	11188	10867	2737	3767	10628	2538	30893	17605	10831	34240	17025	7448	3749	4291	3062	7145	4977	3092	5199	8055	1188	4346	15194	11131	9936	6913	2574	2404	20369	12717	20855	20407	23139	0	8079	8539	0	7519	10978	1987	13067	10758	13979	18672	16159	5400	8619	1630	0	0	14680	925	12758	27229	Phytochemical	0.35714287	0.5714286	0.0
12	C11 H12 O5 S1	257.04782	257.04816	0.024459364	257.04782	9120	10472	8276	9544	19835	10755	2230	0	12631	10801	8496	1312	23081	6814	2480	2620	0	22722	16628	6358	10542	16677	1747	0	5042	1180	1536	0	1903	1296	1621	3791	3705	1885	17242	1266	4551	2219	4572	6444	12077	3828	0	0	0	3745	8554	0	2157	0	7159	9819	13799	0	11868	9708	5512	6910	7100	11710	0	4783	10882	6980	2604	17303	5450	0	0	1708	1427	1378	0	1735	1882	2020	0	1928	2160	0	0	5178	4019	4930	8581	5735	5020	6572	7578	0	26200	24699	1919	15863	28395	0	5938	5241	11463	14451	6881	7243	1198	7764	0	2530	13567	0	3378	21577	Organosulfur	0.45454547	1.0909091	0.0
14	C11 H12 O5 S1	257.04782	257.04816	0.08347153	257.04785	4249	6023	4527	6151	18801	14198	0	1916	10749	10325	7651	1220	25426	6232	1661	2450	3055	19515	13219	6022	2819	12419	3153	0	3751	0	2423	0	1375	1206	1130	0	5170	2616	11238	0	3634	1879	3392	10061	10584	4506	0	0	0	4780	6073	0	2284	0	3760	4788	10361	0	9165	7049	3290	4184	0	0	0	4545	5998	6330	4402	10088	4115	0	0	0	0	1577	1152	1234	0	0	0	1583	2152	0	1161	3132	4392	3708	9359	5807	4429	4781	5931	0	17364	21423	2245	12449	14124	0	3010	4214	9167	9890	7519	3338	1116	6278	0	4986	9894	0	3976	17615	Organosulfur	0.45454547	1.0909091	0.0
16	C13 H8 O4 N2	257.0557	257.05594	0.062199976	257.0557	3840	5011	6957	5554	2633	4664	4788	5744	1800	0	0	5083	2477	3880	2934	14696	9016	3300	5450	0	0	7638	3491	18568	5299	0	4064	0	4231	4131	6789	5793	8796	5683	0	4615	11232	3714	12579	0	0	5353	406	0	0	1244	0	587	7775	5051	7527	6969	5288	454	0	1245	2252	18277	0	3322	17470	0	4493	1978	2404	6201	4306	14237	0	0	0	6333	4855	2050	7190	4872	0	3422	11001	0	6913	0	0	0	3492	1598	10172	7152	5007	56399	6096	3022	0	0	0	513	7519	8119	2224	2401	2827	9899	4620	2319	0	23032	2129	571	10043	7211	Unclassified	0.30769232	0.61538464	0.15384616
28	C13 H8 O4 N2	257.0557	257.05588	-0.010453465	257.0557	2416	2465	2225	2934	1239	6158	1366	0	1087	0	0	0	2003	1675	0	3626	5112	3039	3699	0	0	2928	3196	6150	0	0	0	0	0	0	2442	1541	8964	0	0	0	2727	1280	6932	0	0	3267	0	0	0	0	0	0	2893	0	2422	2837	3544	0	0	0	1296	4136	0	0	3016	0	2010	1442	1371	3822	3535	22994	0	0	0	1189	2757	0	2524	1316	0	1864	2186	0	4609	0	0	0	0	0	5032	2239	3801	12092	915	4580	5050	915	0	0	1812	2691	0	0	0	7016	1566	0	0	9267	0	0	0	1017	Unclassified	0.30769232	0.61538464	0.15384616
18	C13 H8 O4 N2	257.0557	257.05597	0.05390372	257.0557	5820	6935	6343	6086	3294	3256	7936	5413	1450	0	1392	4856	2161	4467	8073	19680	15213	4524	4267	1912	0	7792	3864	14678	6614	0	5668	0	3559	5215	5809	6118	11422	9124	0	3160	9399	5548	17865	0	0	6815	0	533	509	2077	2091	862	5720	4304	7711	7135	4638	0	0	0	3649	20858	0	2798	15639	0	2272	2839	3670	7028	6224	23177	0	0	0	8502	4839	0	9026	5908	0	4338	16337	1738	9603	0	1580	0	2209	2766	16363	12715	8160	75233	0	2720	32601	1896	0	0	4221	3558	1321	2183	0	6243	5557	0	0	17105	0	0	15724	6187	Unclassified	0.30769232	0.61538464	0.15384616
10	C10 H12 O4 N2 S1	257.05905	257.0594	0.001481319	257.05905	4258	2934	3540	3596	3727	3275	1939	3706	3189	1165	1866	2295	4555	1692	4164	6757	5920	7803	6718	0	1379	3699	4136	5510	6261	0	3592	0	5010	2666	3639	4630	4791	4695	1694	3472	6426	3333	6819	0	4450	3508	0	0	0	2725	6688	0	4784	2394	3767	3262	3662	0	2597	1557	1416	6224	0	5025	0	0	2101	1525	1402	3128	1792	4076	0	0	0	4368	1786	2957	3901	3674	0	2011	4764	0	3698	2030	1964	0	2185	2768	4300	5161	4438	7941	24494	8564	8409	2315	1921	0	4355	4106	2217	1859	1569	3998	2996	2484	0	7161	2373	0	3901	2966	Peptide	0.4	1.2	0.2
8	C11 H12 O7	257.06558	257.06595	0.004806976	257.06558	55607	56704	43301	48355	176405	85071	16271	19656	196331	22658	26660	26848	343283	86802	21993	31979	36414	203617	192808	19680	27035	25073	37102	18149	11046	1945	19734	12147	21838	21166	19833	28401	49359	24796	31369	22340	53321	24360	37320	11702	20320	68523	2808	1149	2257	10014	17310	1755	25450	21275	46549	50304	124129	2272	181592	157223	67979	26761	13709	16113	28786	9814	304530	204036	59113	225521	72860	32985	6937	5630	9891	19911	24388	21601	26649	25274	1611	21868	29615	14327	21914	11176	7830	4436	166061	62514	31427	76891	86908	23213	12563	23084	15931	27500	16824	2246	47161	53866	142251	230064	224115	54658	20354	17670	6741	22613	166748	1252	12947	340804	Phytochemical	0.6363636	1.0909091	0.0
2	C11 H12 O7	257.06558	257.06604	0.0082127	257.06558	4643	4348	2846	4777	14146	0	2852	3829	9759	1641	1149	3184	22932	8787	2338	1195	2744	13083	9935	1757	3036	3322	3732	2655	1969	595	0	0	5274	2990	3313	3166	6223	4080	2857	3356	3276	2250	2307	1419	1242	5954	1328	862	1763	2564	1235	1556	3306	2170	2885	3741	7211	908	10585	12398	4324	2855	2155	1363	3352	1337	21370	9556	3026	15854	6031	3848	2604	1232	1517	6208	6565	3869	1126	3974	1199	3181	3043	0	2858	2787	1520	644	13022	5069	2328	5836	6521	2434	2402	1151	2664	1467	718	2503	4354	5155	8040	15968	17538	4523	3803	1779	2362	3650	8486	869	1766	20243	Phytochemical	0.6363636	1.0909091	0.0
10	C11 H12 O7	257.06558	257.06592	0.008032008	257.06558	62352	56105	47823	53789	204691	112215	22087	23971	223086	20149	26678	29537	375972	126756	35888	31817	34177	263662	212588	20073	31365	26725	41260	17132	14963	1622	23311	8426	29558	24769	26387	36747	62735	27763	31868	30054	51533	30996	36941	15329	17317	77684	5263	2040	3307	13700	14394	3045	28655	22047	56690	62010	136912	2920	211962	140269	63534	39658	15385	17820	37042	8883	282653	205713	54513	242456	89515	34920	7010	9273	8329	26727	28209	29070	28556	26719	2592	28863	33489	20390	31978	12148	8650	2980	176150	73139	33511	77719	92098	21836	16540	23251	19368	21202	15602	3010	61468	60388	132584	173870	167118	56399	30237	18222	0	28275	134475	2891	14996	377405	Phytochemical	0.6363636	1.0909091	0.0
18	C11 H12 O7	257.06558	257.06586	0.03322718	257.06558	9448	7124	5019	8327	12057	7162	5080	8601	13847	4275	2209	5820	19026	10775	6706	5479	3876	11845	10377	2125	4222	4731	12172	6333	4997	0	3646	2400	5037	5215	7365	5933	7462	4647	6136	4595	10660	7817	8203	2853	2118	8336	2538	2049	3124	4352	4154	2811	4839	5926	9887	7091	12555	2125	16723	10709	8740	7329	3671	1760	5317	3165	21816	12031	8785	18680	6687	5021	0	0	0	5638	3347	5774	4115	7417	2563	6624	6541	2462	8578	2869	4040	3945	12814	7406	9989	9129	8067	4357	2928	4397	8054	4600	3740	2567	7331	7410	9640	12704	11913	7274	7218	3289	3172	7511	9552	2379	6080	19397	Phytochemical	0.6363636	1.0909091	0.0
6	C11 H12 O7	257.06558	257.06598	0.011657374	257.06558	31457	37383	30949	32509	107133	49503	12188	14858	112177	15386	15367	15051	201146	52186	13452	17594	20447	140963	122925	13049	19251	14247	24562	15259	8044	1880	10470	3563	14504	14656	14298	17285	27343	17723	19729	16019	27435	14320	24597	7935	9798	38386	2189	1019	1602	10717	10084	1622	16004	12987	35969	34823	74153	1963	104658	110787	34697	22581	9466	11824	17231	4033	185700	102611	31885	139929	49084	25293	6143	2959	5285	15478	15285	17673	12575	14654	1473	12590	17373	6037	12615	6229	6012	2325	121345	49081	18390	47165	56965	15005	7854	17418	12457	12789	8540	1575	31787	34734	69259	153416	172879	32818	14371	12935	0	17844	95683	1293	9291	230859	Phytochemical	0.6363636	1.0909091	0.0
14	C11 H12 O7	257.06558	257.06592	0.027702201	257.06558	31129	23181	28389	30148	62304	55873	15904	19008	87610	6512	8637	21277	123113	52052	31211	14224	20706	109642	80268	9699	9850	12186	33311	10599	12274	1615	11934	0	18974	16112	16937	13199	31600	14734	15389	20788	28464	23983	20718	9587	4691	37772	3577	2272	2724	9088	6429	2909	16622	20450	32580	29793	63011	2285	86774	45562	35258	23084	11576	8846	0	7917	119130	83268	31982	88498	45516	19590	0	5943	5029	14712	17045	14657	18600	16866	2227	19916	24649	0	25701	9552	7360	2649	50565	36461	26672	31290	45733	11583	10727	13497	18977	11950	8686	3281	26079	23536	50629	52149	54939	26408	18532	11158	0	17133	46412	2196	13760	119528	Phytochemical	0.6363636	1.0909091	0.0
16	C11 H12 O7	257.06558	257.06592	0.08040618	257.0656	14350	15522	11788	13602	26082	26634	7060	9073	30249	2911	7146	11790	47984	21580	11240	11653	6092	35074	35751	7578	7170	7580	17671	7832	7931	0	5690	2776	8906	13810	10139	9083	16275	11177	5836	12508	15899	11316	12556	5413	4268	13124	3407	2327	3571	8367	4683	3476	11447	9564	16610	17722	19534	2059	25521	23601	18324	10106	7236	5411	9202	5353	39432	23862	11831	34045	20381	8407	0	0	3748	8605	9921	7387	7940	7682	2604	9240	14441	4379	12620	9002	3537	2093	28138	11002	16077	14430	16149	0	6644	6589	0	7844	4632	2557	14517	15139	19266	22742	26934	16543	10873	4809	4981	0	21604	2530	8126	46221	Phytochemical	0.6363636	1.0909091	0.0
12	C11 H12 O7	257.06558	257.06592	0.016651671	257.06558	38242	46566	53996	42369	140305	90483	21618	30746	168162	13143	18020	26000	212059	98625	32857	24978	23784	179086	171601	20359	22859	22161	43144	14456	18253	1209	17421	0	24609	29938	24470	28320	47063	26307	28725	22745	44610	28441	27472	13433	13063	61255	3786	1912	3049	16578	10373	2298	21821	40204	41734	43557	107710	2178	175934	100473	56333	28092	9612	12881	22962	10031	243867	155605	44141	174207	74152	25747	0	4835	5409	21248	21864	22657	22188	21724	1576	27048	27674	0	27751	10986	7964	4765	102185	58747	34568	47268	71817	19077	16318	25283	25264	17510	12100	3149	47977	47317	87555	107086	100150	48881	29982	11305	0	26823	93731	2216	13025	304313	Phytochemical	0.6363636	1.0909091	0.0
4	C10 H12 O6 N2	257.0768	257.07727	0.056160066	257.0768	4573	6448	4244	5660	6758	5307	1618	3916	8996	0	1730	3470	10831	2760	3328	5055	8873	11984	10601	2414	2740	5482	4376	4130	1436	0	1957	0	3244	2595	3586	2833	6433	3476	2593	2506	4454	2674	10350	1162	1895	7721	0	0	0	1665	2007	0	4617	3326	4077	5005	7627	0	10662	7776	5505	4476	2080	2742	6510	1168	15473	10150	5720	11221	5563	10771	0	0	1737	2806	3255	2298	2001	3420	0	1945	4383	0	2861	1233	1180	377	8394	4017	3800	9972	7681	10500	1906	2061	9420	1000	0	0	5043	5497	6944	7964	8120	4905	3513	2391	0	5845	7904	0	2437	21582	Peptide	0.6	1.2	0.2
6	C10 H12 O6 N2	257.0768	257.07724	0.069260456	257.07684	11268	12128	6797	9445	15570	11376	3993	10254	15210	2503	5144	7288	18864	5552	7217	11992	20772	24714	22693	4436	5288	10377	8293	10453	3477	0	5380	0	7163	6978	9501	9518	15934	12264	3716	6863	11573	6430	22031	2425	4511	11931	0	0	0	4547	4461	0	10734	7159	12391	13019	13922	278	14861	10109	8339	10034	2693	6442	9633	1944	23502	12769	9997	21316	14577	27400	0	0	0	8014	9359	5923	7746	5808	0	5588	7067	0	6072	1975	1972	0	12959	8621	10544	19094	17574	25848	3133	12110	17716	3498	2202	0	11091	11572	8220	11017	9320	13144	8806	5738	0	14204	12299	0	7637	37591	Peptide	0.6	1.2	0.2
8	C10 H12 O6 N2	257.0768	257.0772	0.056245558	257.0768	12688	14112	9607	11388	13183	11771	7476	8813	15314	1814	3427	11607	19095	7401	10416	15093	24870	19559	21516	3832	2356	10193	13364	12447	5590	0	7716	1844	11483	7882	19490	10783	16856	12416	2987	7972	16024	10577	27043	1831	2829	13954	489	0	0	4465	2735	0	12393	8419	12153	8172	14007	313	16598	6598	9684	12711	3499	5406	14992	1865	23727	14151	10730	15260	15037	30149	0	1501	0	11113	8810	6699	9481	8713	0	8133	9699	2353	6506	2137	2292	0	11336	6979	9237	19675	17537	30913	0	7291	26308	3170	1163	0	13215	9280	8564	8125	6566	16502	9841	3956	0	19164	10349	0	6519	30288	Peptide	0.6	1.2	0.2
10	C10 H12 O6 N2	257.0768	257.07715	0.016149135	257.0768	8499	8061	8290	7135	8799	8500	16096	13584	8934	2186	3361	8503	7173	4104	10223	20733	7177	11684	11539	2422	1899	6124	7399	9408	6273	0	11351	0	25626	16071	17942	14872	26767	17817	3659	15351	19495	13697	9038	0	0	13074	0	0	432	0	0	0	21865	10869	8015	7190	10905	0	8887	3353	7472	15972	3158	2545	32380	0	9748	7749	6394	8998	11905	9207	0	1710	0	14986	15763	10436	9645	15302	0	10830	6004	0	5478	887	1118	0	4993	10071	5407	10400	14046	11126	2668	3871	13305	1701	0	0	5897	7534	5649	3688	2823	12714	12911	0	0	10941	4973	0	5858	13312	Peptide	0.6	1.2	0.2
10	C13 H13 O4 Na1	257.07843	257.07953	0.6235192	257.07858	1219	0	0	0	0	0	0	0	0	0	2768	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17052	0	0	10609	0	0	0	0	0	0	0	0	0	0	0	0	5397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2276	0	0	0	0	0	0	0	0	0	0	355003	0	0	0	0	0	Phytochemical	0.30769232	1.0	0.0
12	C15 H12 O4	257.08084	257.0812	0.032738455	257.08084	76442	80866	62648	73797	69831	45449	46026	61876	69849	83512	75337	42036	68307	31404	46899	70850	59023	82521	88335	81537	87938	94949	56393	60970	43265	79529	51268	44578	52692	49117	50695	51257	70134	38874	114708	49589	60438	48981	62000	76001	85149	50237	6212	5423	6737	66289	65491	8393	61623	48453	70059	78929	61079	4579	73645	50719	46870	78614	48332	43822	59527	46485	89325	69862	34993	71239	51737	66520	73638	99753	119936	40849	37370	42326	48591	56209	4573	43270	71734	48737	70530	58717	43496	44427	63933	47246	73446	47719	57349	94904	67630	72152	86779	55096	84590	8172	77297	81610	59311	67688	64923	68204	49866	62012	44853	53825	57008	5726	45976	84267	Phytochemical	0.26666668	0.8	0.0
8	C15 H12 O4	257.08084	257.0812	0.025796661	257.08084	26650	28352	20349	26926	24657	15509	15212	21381	27866	25985	21581	19445	25963	14760	17803	24995	25701	24115	32045	30738	31227	34181	22382	26022	14591	22157	16531	17842	17235	20338	16757	24206	28035	13183	42902	20335	21092	20278	23955	21516	31811	19024	5623	3500	5729	25746	24604	5873	23766	18184	22738	24286	18764	4140	28078	23748	20620	22824	15254	22637	20160	14765	26980	24456	13805	20208	17240	26008	25956	29869	48313	17063	20727	16681	15541	27290	4513	17898	27053	15134	26226	20547	18016	15858	24650	14157	25177	18424	23395	32509	16830	21605	27030	21899	27606	6582	27365	25748	26838	29930	28933	22459	21596	21397	11758	15783	20369	3322	17814	27825	Phytochemical	0.26666668	0.8	0.0
16	C15 H12 O4	257.08084	257.08115	0.014806039	257.08084	102580	119222	112879	114039	120213	84469	79367	91913	122772	154539	108731	60123	149958	85251	89153	111431	105666	189248	195363	146974	148320	144000	102820	98572	80022	118871	73905	91173	73420	70640	80747	99110	125346	73360	193564	69143	119601	68750	90054	118616	118824	94584	12092	6741	9625	87270	86433	9987	93257	74468	115721	119526	121691	8289	109068	94523	83277	125228	60116	62664	99671	66010	148913	105194	68018	150475	116205	89951	103406	150139	137574	76974	64519	61229	69693	80198	8486	55855	128894	112972	91183	81701	66647	84381	118596	87714	139802	114575	128961	175007	105568	110110	140757	111207	150191	11527	110908	111560	100374	121221	128947	112756	61449	86174	53841	89731	89856	6568	97476	150859	Phytochemical	0.26666668	0.8	0.0
14	C15 H12 O4	257.08084	257.08118	0.016792208	257.08084	96539	112442	89996	97237	109499	61714	77088	92567	88616	130637	104282	67534	115549	68312	73130	94528	80228	135237	134714	122184	127812	137503	76016	93947	70812	123798	59195	75268	62683	62452	65471	76834	103979	66360	169473	65786	85185	63432	94466	104721	106357	77052	9047	5286	6571	81564	81975	8226	80488	56759	93885	103548	88423	4926	103724	82066	66171	123418	67068	59897	89760	65070	126164	93311	57145	108386	80236	77105	105531	142560	153410	60523	61264	55112	57683	70378	5224	57290	99051	101142	92252	79573	62784	81205	93935	64140	113694	78109	93661	122482	106855	82209	135401	93940	113739	9610	98599	90241	86641	122244	116906	90767	69071	80673	52325	82757	75810	5705	71689	106891	Phytochemical	0.26666668	0.8	0.0
20	C15 H12 O4	257.08084	257.08112	0.019210454	257.08084	72076	77824	69715	68834	81829	64060	44584	67583	68821	76797	61679	51943	107757	72455	68117	87104	58454	119813	144899	92213	66099	86281	70226	94026	68844	49964	49925	59560	64334	57543	52053	55209	71467	60303	92936	58519	70499	57693	51404	67888	66657	76825	22363	12040	13024	53943	62582	14565	63453	59964	69385	77778	76757	13432	71180	63909	53327	87900	45949	39342	84050	35824	87965	63429	49777	111326	84029	62704	49409	68086	79265	58904	50773	41512	48821	54919	12634	45853	92311	76683	71451	47499	42632	46452	72953	60609	125551	94590	87199	138970	76176	57243	117784	71844	69880	18844	67528	75497	72391	75998	74367	72498	59583	64560	44390	78984	60278	12897	72620	99612	Phytochemical	0.26666668	0.8	0.0
10	C15 H12 O4	257.08084	257.08118	0.020972455	257.08084	49003	44655	36426	43616	38656	28980	33326	37146	48987	55207	41016	33703	47799	23827	32298	46814	35547	49974	50025	42795	56023	57002	36492	43885	24519	51342	29350	33552	33759	33360	32978	33623	48573	27280	69054	32148	39444	34960	44909	43203	56098	30565	8232	5224	7120	34673	40315	7564	31320	28047	43416	43756	36931	5378	50325	35631	27172	47819	35769	32472	42723	28420	46793	41742	22787	40150	24750	42681	63008	61735	76220	30200	26970	29751	33706	35039	6584	23816	48456	31039	44807	36840	30895	20510	41514	28263	46730	32603	37571	50915	31890	37272	53041	41686	45223	8079	41534	45845	41850	45208	42037	37775	34223	40725	19515	31178	29664	5932	29927	51352	Phytochemical	0.26666668	0.8	0.0
16	C12 H16 O4 S1	257.0842	257.0845	-0.010652773	257.0842	9712	9328	6314	9396	14993	11758	4262	0	8845	13907	10132	2165	14014	8271	4022	6369	5279	14962	13545	17550	18859	22977	3088	4205	6306	0	3036	9243	3914	1502	2851	3782	5444	5181	14943	2705	9390	3146	4000	12622	12755	6212	470	0	0	11908	22679	0	1608	0	9262	10532	14971	0	3984	5554	3924	8591	10369	13055	0	9859	3702	2791	2034	10119	7751	7258	3211	2797	2612	1235	1864	1474	3582	2290	0	1188	2430	25616	0	14119	10734	7403	5715	3437	6855	10382	8957	0	54991	63079	0	23054	38897	0	7186	11656	10281	8074	9133	8234	1922	13680	9668	0	8560	0	4545	8779	Organosulfur	0.33333334	1.3333334	0.0
18	C12 H16 O4 S1	257.0842	257.0845	-0.049174853	257.0842	168254	173553	156164	134287	129814	107678	118665	295333	105111	149025	120202	141531	162527	101782	152269	380555	218465	227079	251983	157598	139776	221239	194140	483302	147940	84078	118873	112895	186184	163829	173974	166617	177799	171435	166861	144983	173596	144601	218578	118996	109251	135638	38264	9372	13747	157132	91235	11130	226225	239331	171314	164978	127835	15138	124713	97133	93823	338425	71636	69911	337841	84045	136846	100430	87177	151015	141099	243532	67682	110057	109971	203646	107058	102398	161046	181238	13603	96086	192191	142979	182134	101492	64332	77839	125177	104194	182564	159484	161155	461705	176378	181952	351308	114533	167863	23632	165104	162362	105196	104875	106993	166602	137070	98801	65421	259344	81290	10200	194001	128068	Organosulfur	0.33333334	1.3333334	0.0
20	C12 H16 O4 S1	257.0842	257.08447	0.024393031	257.0842	2598	3589	4188	2959	3670	7207	0	1535	2145	4720	3111	0	3217	2247	3190	0	1614	4934	0	4235	4654	5870	1189	0	2735	0	1115	5648	2529	0	1510	2101	1700	1753	4156	1457	5242	0	0	3188	2233	2086	0	0	0	4695	3618	0	1506	0	5258	5425	6501	0	2891	2619	0	4925	6567	2325	3530	2998	2053	2923	1784	6329	2776	2142	0	0	0	1390	0	0	0	0	0	1382	1490	6384	1444	2466	2318	0	1919	1990	2871	3937	3958	1824	29111	27649	4246	3980	8086	0	3166	2296	2144	1917	2088	3559	0	6438	2588	3816	2673	0	2566	1496	Organosulfur	0.33333334	1.3333334	0.0
12	C14 H12 O3 N2	257.09207	257.0924	0.04295204	257.09207	14564	17429	14976	14990	12817	26267	13676	22801	7575	16244	20156	14082	4907	5850	15333	26171	28770	12410	17809	15541	20978	21053	16753	26562	19932	11710	14613	14470	16174	15670	17339	14725	22791	15255	14088	15088	20157	13802	39112	12311	26267	15619	803	0	301	16009	11807	640	18084	14864	16559	14702	11236	0	9567	3813	7782	26769	8543	14008	0	8683	10465	9573	8013	10935	11101	42944	0	16145	18832	18798	15001	10319	15764	15809	308	13385	30633	17571	24177	8843	11730	12431	7284	8179	27148	16098	14918	76188	15338	15497	41414	16615	18635	668	21488	13001	7855	6266	5367	15218	11716	12382	0	31669	7355	462	21591	9478	Unclassified	0.21428572	0.85714287	0.14285715
18	C14 H12 O3 N2	257.09207	257.09235	-0.003729367	257.09207	7305	6974	4644	6076	0	5510	5634	5883	0	2845	6021	3781	0	1377	3447	6472	11389	0	4449	0	3633	9608	1721	8087	6636	1222	5549	2333	4651	4504	3816	0	7198	6981	0	2148	7922	3041	9998	4075	14839	4190	817	378	381	2908	6301	890	9039	5390	3933	4944	3620	650	0	0	2332	8244	2922	9709	10784	2912	0	2992	1592	2895	4454	15667	1485	2164	4431	7413	2701	3886	4761	0	0	3540	10889	7028	7577	3340	5548	4693	0	2176	7400	8044	3966	23925	8731	4930	19221	7667	10824	0	4373	5714	1810	2372	1250	8161	3112	4008	2630	12606	0	405	9237	2227	Unclassified	0.21428572	0.85714287	0.14285715
14	C14 H12 O3 N2	257.09207	257.0924	0.059084505	257.09207	12337	13636	12477	18596	6627	7003	13670	11789	6221	14303	17476	11722	6449	7472	9623	18580	20361	8246	14669	10466	22317	19874	11316	27221	15786	7468	13129	12303	10154	9969	10224	7859	19812	13119	10013	9851	15165	12112	22103	15539	28847	8456	0	353	436	9011	17736	501	14004	8708	9675	13301	10733	386	4162	5950	7910	16069	0	14223	20070	5114	5564	6030	6430	11621	9161	23561	0	13498	19761	9879	9926	5427	14291	11861	0	9776	20547	19577	17823	9259	8330	10420	7705	4968	25803	14209	9929	54157	24613	21348	43012	17669	13559	540	11923	8992	5604	6229	3302	14397	10193	8731	0	23202	3853	481	18234	8060	Unclassified	0.21428572	0.85714287	0.14285715
8	C14 H12 O3 N2	257.09207	257.09244	0.019178951	257.09207	11401	11304	9525	11257	7001	7058	7472	10397	7487	19092	16127	8411	5440	5099	7912	16798	14013	7150	10965	21026	21356	15550	8846	14923	7280	10872	9299	12738	8088	7040	8770	9387	11601	8749	18123	6822	12265	7520	16238	13800	21630	8203	534	392	0	13066	19693	0	13971	9258	11465	12345	9026	0	8719	3934	5778	14674	2356	11017	13965	7126	6663	6313	4859	7533	8259	20000	9408	12210	15572	10552	6473	3988	8242	7376	0	6028	16358	12249	8496	6048	5099	9213	6056	4850	13295	12641	7883	41435	9948	7874	28667	17446	18499	443	12136	13441	5604	5252	4722	12983	6633	6540	0	14365	4524	0	11590	5612	Unclassified	0.21428572	0.85714287	0.14285715
16	C14 H12 O3 N2	257.09207	257.09238	0.022469793	257.09207	12640	11075	7933	10732	5292	5242	7808	10988	2511	12198	12303	9721	3722	5035	5608	20171	15497	5107	10544	5624	14337	21536	8787	22249	9127	5456	6233	8765	5164	5580	12502	9685	18676	11627	8483	6403	15936	7758	20702	11605	26671	9848	851	578	506	7237	15933	908	13436	12007	11733	11546	8108	672	3770	2154	3478	20358	4699	18438	12362	7244	2115	3229	6497	5637	7809	26030	6765	4965	7962	13033	10739	3175	9277	11673	489	7404	15919	18094	9097	11450	8226	6921	5057	3874	19817	13552	13864	78717	14097	14515	34497	18614	10286	824	10721	8358	2315	2809	3038	19358	7038	11145	3439	20795	3194	522	16801	3740	Unclassified	0.21428572	0.85714287	0.14285715
10	C14 H12 O3 N2	257.09207	257.09244	0.05867174	257.09207	28385	21829	22055	19490	10482	11551	21242	31697	10449	25754	22886	21112	9027	6554	16646	56676	30904	22211	21323	23013	28384	34994	21696	52830	24867	16196	20248	18232	22856	21494	19615	24815	34985	19639	17272	21132	31303	20863	32623	17639	29817	22410	760	556	326	17542	23266	574	28530	26294	29719	27936	15108	596	12394	5860	9993	36692	3749	12841	42714	8053	8527	9299	9078	16221	16381	37065	21772	24193	29906	27764	22191	8865	29403	17698	0	16389	34401	16934	27332	11010	10420	13509	7875	8687	31900	23760	17054	96444	11321	13117	87343	19708	23315	0	21913	26089	7275	6756	6720	23350	18693	15323	0	49863	5352	0	29288	10931	Unclassified	0.21428572	0.85714287	0.14285715
4	C14 H12 O3 N2	257.09207	257.09253	0.097107805	257.0921	6908	10495	9238	9870	7505	13604	3430	12431	5414	12069	11166	6265	7996	12908	10261	17127	5694	10130	13526	12139	14240	8714	5527	12342	4767	9876	3452	12756	10151	5294	7978	7771	10667	7203	13524	9607	8157	4578	8786	5780	7696	46328	0	0	0	7955	12071	398	7848	9149	8986	7882	8619	316	6725	4331	4177	12047	1074	3063	10101	4208	12008	6200	3262	8941	10817	5695	9245	9556	11968	4618	6489	6416	6555	5439	0	5824	6095	4857	5163	5027	2934	3819	6473	4683	5318	7805	9030	14081	10490	4833	12367	7206	9382	621	7150	10395	7815	5763	5817	10209	5769	4224	4047	10089	4386	0	5227	8073	Unclassified	0.21428572	0.85714287	0.14285715
6	C14 H12 O3 N2	257.09207	257.09247	0.032651298	257.09207	8610	9886	8486	8855	6848	5680	6490	10273	6582	19853	17106	4504	5740	4555	5694	12072	9039	7765	9734	19245	23538	10810	6632	11921	6171	15572	5568	15726	4994	4252	5994	6576	8184	5398	19940	4302	8621	6619	13347	9865	17709	6789	0	0	0	10938	17649	0	7753	7063	10392	9969	6551	0	5632	3125	3895	9230	2187	5909	11535	6981	5990	5356	3300	5791	7339	12347	13080	17078	23582	6955	4420	3354	4703	4813	221	3477	7690	10953	7730	5858	3840	8394	5688	3491	9497	7372	6602	23403	6666	4655	20209	10074	14651	386	9522	9154	4780	4489	5172	9428	6373	5863	0	9012	3706	0	6831	7797	Unclassified	0.21428572	0.85714287	0.14285715
14	C11 H16 O3 N2 S1	257.09543	257.09573	0.14329894	257.0955	3233	1843	0	1666	0	2380	3091	0	0	0	0	1392	0	0	0	2636	0	2489	2345	1578	0	0	0	3641	1801	0	1301	0	0	0	0	0	2955	1560	0	0	5810	0	3385	0	0	2285	0	0	0	1745	0	0	0	0	0	2307	2656	0	0	0	5895	7890	0	0	0	0	0	0	1120	2198	3622	2807	0	0	0	1464	0	0	2123	1301	0	1524	5346	16735	1181	0	0	0	0	0	8727	0	1570	22186	3577	0	8546	0	0	0	0	0	0	0	0	0	1845	0	0	4474	0	0	3514	0	Peptide	0.27272728	1.4545455	0.18181819
22	C11 H16 O3 N2 S1	257.09543	257.09555	-0.13938381	257.0954	0	0	1384	0	0	0	0	0	0	0	0	0	0	0	0	4049	0	0	0	0	0	5745	3057	0	4899	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1412	0	0	0	0	0	0	4326	0	0	2625	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19165	2061	0	0	0	0	0	0	26978	0	0	138110	22832	6162	18298	0	0	0	0	1771	0	0	0	0	0	0	0	2719	0	0	4631	0	Peptide	0.27272728	1.4545455	0.18181819
2	C12 H16 O6	257.10196	257.10242	2.77038E-4	257.10196	17047	16418	10400	16954	41668	21453	13944	20012	50182	5541	9569	29514	61740	22921	16684	8734	21892	53950	42340	8699	8252	15127	30550	14518	11930	5080	10126	6480	24207	17946	42826	17818	22453	28263	11333	19509	17263	14097	20009	9131	8898	22028	5071	4796	10223	12326	8236	7184	20656	13468	13437	14192	32840	6139	49524	46740	29852	17949	12311	17380	17571	6836	26002	20846	14818	57392	30588	21139	13539	6151	7354	29462	28675	25620	6673	24535	6500	11533	26900	3902	15209	13929	9518	4955	40842	28328	13755	39376	39450	15844	12009	9779	12384	6905	7279	12840	15030	17476	44590	47782	64358	19528	39404	16014	12928	14846	38036	5651	11575	49030	Lipid	0.5	1.3333334	0.0
18	C12 H16 O6	257.10196	257.10226	-0.003379421	257.10196	63881	57063	53903	62858	80292	65091	53467	65164	85392	35217	29622	42075	119619	55459	65850	61811	46633	100425	112023	44461	31629	41427	56301	54480	54851	10311	37475	21126	63068	64554	56825	60607	83051	59520	44318	62689	91761	47468	55777	38247	23614	52753	15047	11819	16852	35787	20085	13986	63604	43040	53833	60248	61513	11692	134956	63323	50955	71719	40325	26707	62430	24541	85361	85881	39098	96662	62106	46324	15184	19783	20292	52575	53025	69837	46938	71949	11895	45129	54358	23721	45085	24505	42096	24604	58217	50670	58300	53177	68237	37385	55544	49382	58250	22958	23215	15756	57900	58300	65173	57295	58465	71836	43469	46674	24452	49654	50400	14485	42780	114508	Lipid	0.5	1.3333334	0.0
16	C12 H16 O6	257.10196	257.10226	0.006481476	257.10196	125893	130962	125013	136462	225083	213879	107928	110478	282877	73250	57848	76171	365894	167798	138157	112517	104133	336653	302345	94909	75913	76950	121373	110207	119820	24178	84108	72128	150985	118739	121383	163756	194632	133358	91214	142287	201332	104807	110063	63844	55389	149797	21387	15801	20394	67403	42455	18066	149372	107530	134966	141548	220068	15105	308004	184799	118156	159387	80895	52287	139625	42244	247347	225884	89950	266012	164902	95149	32571	37592	28614	113786	127240	148008	95650	130800	15244	91711	102512	59097	70616	51158	84877	49183	175503	130960	111996	112611	168312	121754	102411	123160	109666	43965	54630	21334	127593	148770	158435	177587	215627	178246	84182	81224	44276	104348	183928	15532	87075	336725	Lipid	0.5	1.3333334	0.0
10	C13 H12 O2 N4	257.1033	257.10385	0.2193129	257.10336	425226	391866	381403	375951	710720	525969	294899	328194	785038	292599	223974	264686	1077517	411328	280326	371306	327456	1150837	973725	424004	387916	248510	273652	193804	192047	100817	263422	206426	514117	419195	328001	457066	673482	435007	360658	425056	621797	240196	369358	207029	203331	492454	33473	11251	15562	205342	180608	12292	471245	266817	404983	412999	620427	15837	1013047	583438	297035	471230	256811	215453	417346	131589	767229	750705	292353	834384	484654	322865	123398	161581	146906	311329	393269	372513	351499	383386	11427	253853	246688	170174	189696	164713	262356	154046	683891	470476	319038	401030	524257	217713	258168	314323	249297	186967	222972	20767	401574	450164	545550	696352	783125	560453	259164	424472	127603	234226	686284	13037	171142	1026983	Peptide	0.15384616	0.9230769	0.30769232
10	C11 H16 O5 N2	257.1132	257.11353	-0.017657807	257.1132	40985	41314	35429	36502	19991	22564	24197	35468	24530	38329	104545	19330	26602	12154	24106	38667	35455	37484	32285	19001	16848	40654	27559	32424	24765	2391	27147	72318	29488	21714	22550	28582	46517	30893	55979	24799	42599	24661	42966	11963	12389	20227	1539	697	1244	19544	17055	894	25322	21806	41254	41634	24443	1061	32044	12461	15951	37825	19379	19258	35028	6092	20973	22552	13764	24296	22259	38521	0	6228	6420	22702	21309	23786	30884	21114	659	17237	25637	41548	18934	13461	17889	4883	19566	21648	31772	24774	25323	49482	762127	264703	57677	46233	54975	1170	40205	36304	16118	15762	15402	36562	22922	28272	0	34652	21974	734	28480	32705	Peptide	0.45454547	1.4545455	0.18181819
12	C11 H16 O5 N2	257.1132	257.11356	0.011566856	257.1132	11539	13989	6472	12298	6968	8579	9981	10157	4484	4853	6702	6534	8294	5133	10919	14750	16358	10889	10819	3594	4069	8795	11180	13681	11082	0	11029	0	17354	11454	12734	15754	17812	14273	5063	12466	20760	11248	19369	2734	4404	10305	485	996	1111	4933	4574	913	14742	12987	11934	9197	7962	971	7474	4597	6157	18534	8831	8981	0	4095	8031	5258	4763	12185	6792	17525	0	2134	2277	10603	10419	8574	12353	11724	699	8232	9189	0	8873	4238	5981	1837	3616	6169	14201	10177	10259	24130	27540	29319	28537	4694	5790	1166	11890	10677	5161	5203	5944	14249	11745	7160	0	14242	4846	832	10268	8727	Peptide	0.45454547	1.4545455	0.18181819
22	C13 H20 O3 S1	257.1206	257.12088	0.020111311	257.1206	3184	1468	2538	1998	0	5694	0	2693	1396	9717	6076	1467	0	0	2510	0	1399	8426	0	9272	8584	11766	0	0	2745	0	0	6832	1787	0	0	0	0	0	10400	1513	1617	1183	0	3507	2369	1599	0	0	0	12124	10619	0	0	0	2076	3106	1570	0	0	1416	0	3029	5501	7114	1687	1490	0	0	0	5867	5932	0	0	0	0	0	0	0	0	0	0	0	0	7873	0	11392	7626	1624	0	1876	1748	2615	3059	1626	43781	38085	0	6503	12522	0	2937	4509	1457	0	0	2601	0	9734	12331	0	1098	0	0	0	Organosulfur	0.23076923	1.5384616	0.0
14	C15 H16 O2 N2	257.12845	257.12878	-0.06823785	257.12845	55956	46258	50062	55116	6525	12523	53760	79792	6985	16203	21315	57840	1677	3203	53135	101132	96928	16029	27336	22324	13853	60485	52248	100884	55261	18765	55264	11692	39232	67417	83628	87316	65240	50690	20667	63106	64682	51415	78819	12982	25638	49294	0	0	0	24382	25304	0	95624	85465	48591	48791	22568	214	4546	2891	27925	118382	11469	29840	76359	8557	2372	0	13058	13199	21481	133904	0	16751	31847	50888	47510	43238	94323	69073	0	57416	52902	18329	61532	8501	25229	14350	2733	9478	58184	42282	58591	174674	26373	27359	158179	16927	25426	0	46594	50418	0	3400	2586	74884	59525	43400	0	110822	5789	0	82520	3282	Peptide	0.13333334	1.0666667	0.13333334
10	C15 H16 O2 N2	257.12845	257.12878	-0.024954138	257.12845	9646	11825	11733	12372	2587	4737	9227	13276	1981	20502	19757	7083	2903	3131	7423	20556	21277	4265	5106	23210	22279	9017	7343	20655	13640	17272	36214	19417	10502	7816	11265	10758	17338	11739	12102	8198	17884	9021	26806	13707	13161	6965	0	0	0	6189	13171	0	13975	8697	12146	12991	6092	0	2575	918	2079	14678	0	5304	16128	3407	1557	3552	3578	3523	5371	30843	14528	19181	25386	11272	10530	9102	16712	7268	0	7203	12202	9922	14373	4208	2613	11592	1901	3161	16412	9219	7764	36135	12277	6184	26672	11252	16739	0	9085	11139	2616	2675	2840	14899	6005	6170	0	17927	1661	0	14034	1828	Peptide	0.13333334	1.0666667	0.13333334
8	C15 H16 O2 N2	257.12845	257.1288	-0.07019419	257.12845	14697	14088	9402	12424	3069	5251	8212	11884	2350	25406	28847	6378	868	2834	8025	15559	11518	3939	6092	26778	26793	7386	9019	18405	10805	24718	14237	37528	9252	10200	9285	10355	15533	12687	25741	8061	14783	7907	17997	16094	15911	7626	0	0	0	11381	18716	0	16072	9654	9921	12903	5282	0	2635	945	4504	12580	0	3419	12697	6594	1682	2292	2527	4794	6642	18490	14210	20544	23937	12766	9400	6389	10163	9990	0	6365	13220	16280	9840	3048	2161	16364	1020	0	10552	13467	7037	32165	13449	0	25803	12821	26241	0	12987	13059	2624	2405	0	13421	6648	10483	0	16217	0	0	10364	1827	Peptide	0.13333334	1.0666667	0.13333334
12	C15 H16 O2 N2	257.12845	257.12875	-0.08269023	257.12842	26896	28652	29326	29582	5059	6828	32110	33050	6162	24580	39782	19068	0	0	17314	36262	49246	5728	5076	22966	25542	17072	9818	41636	22124	33470	77604	0	21236	29014	24776	28410	21372	33378	20326	23344	22712	18618	67004	22252	40220	15650	0	0	0	10630	23892	0	30282	34614	24334	29910	11970	0	5364	3148	10964	35208	0	15372	0	8076	2146	2198	8972	4763	11008	65466	0	28904	35148	24542	25728	25820	58896	30628	0	13660	16802	0	24832	12006	8548	14934	3168	8404	28760	15828	9810	86598	19986	11448	46676	17592	21258	0	22808	31974	3716	5042	5642	30168	19740	15834	0	30856	3161	0	31974	5528	Peptide	0.13333334	1.0666667	0.13333334
22	C15 H16 O2 N2	257.12845	257.12872	-0.026878092	257.12845	8620	7252	8508	8045	1796	2581	20978	15269	11116	0	1309	13085	0	8643	20496	16998	25147	0	5140	0	0	3957	8204	13873	40217	0	68421	1743	11993	13540	16169	12288	29387	7215	0	14704	15658	17651	22460	0	0	12647	0	0	655	0	0	0	15848	10874	9513	8954	10576	483	4396	2143	17389	22309	0	1733	12218	0	1412	1902	16079	1395	13586	69234	0	0	0	5887	8541	8015	10123	10684	627	12323	20338	2085	18343	1048	1760	0	5713	27124	24679	11205	11094	42013	2361	0	18962	0	0	0	8114	7049	12563	2164	2643	27967	14477	1140	0	23576	4043	0	36085	0	Peptide	0.13333334	1.0666667	0.13333334
16	C15 H16 O2 N2	257.12845	257.12875	-0.004154555	257.12845	12013	8879	10900	11900	6951	7976	13688	16004	1175	12223	13125	17663	0	5692	15611	27053	29789	0	4978	9152	9762	14413	12283	28769	15702	14032	16951	14779	17019	17745	21192	23421	19451	14030	6475	15432	22743	15416	36510	10211	19652	11067	522	343	361	8146	15587	0	24197	21523	14702	10170	4286	0	1985	1728	6056	21504	3638	16888	23875	3906	2434	3948	4629	6649	7808	44319	12784	11525	24204	17852	11835	14110	22960	16227	0	13160	19627	15092	14226	8447	6959	7022	3233	3308	15372	12746	11112	44887	11986	11759	0	13538	15754	0	11316	9667	0	1310	2374	24761	12858	8921	3262	17635	2888	328	17874	2651	Peptide	0.13333334	1.0666667	0.13333334
18	C15 H16 O2 N2	257.12845	257.12872	-0.016628329	257.12845	15167	19541	18211	17975	5405	5264	72683	12860	15162	0	8877	17715	1657	10003	31711	15894	66899	2229	2962	3222	4787	8887	9562	14644	71021	7557	183268	6118	9727	8406	9376	9579	19956	4753	0	7421	15244	48398	61346	3721	12445	7425	538	0	0	7126	18004	431	13648	13477	18846	19830	5328	271	9091	15774	28645	21880	2296	6203	12279	1459	0	3043	20882	3429	5981	118561	6985	5620	8697	3472	3534	3824	19140	10083	0	11058	52036	30842	37464	10780	4945	2774	9665	19130	143132	12294	7479	229043	8023	8280	36117	8083	6969	445	17785	13277	21943	7790	6985	23237	15307	3938	5746	16419	10400	420	83767	1862	Peptide	0.13333334	1.0666667	0.13333334
20	C15 H16 O2 N2	257.12845	257.12872	-0.015771376	257.12845	9218	10599	10854	10695	2746	1765	32020	20969	4488	0	4343	17829	0	6813	13833	21266	32007	2483	3756	0	0	8777	5588	21725	39313	1526	64375	2677	14008	16506	15060	17982	31960	20638	0	18466	32052	15487	27821	1627	5032	7034	493	0	0	4094	3589	0	22779	14064	7286	8351	8299	0	2701	1297	11247	23152	1353	5917	21502	1176	0	2415	11215	0	6861	45700	2700	1663	1915	14391	13895	9280	11262	11383	0	14883	43959	11117	25319	2650	4007	0	5076	4900	84562	9316	8518	57064	5534	5582	34686	5611	0	0	10786	9238	7315	4203	6811	40222	13612	4777	0	29630	6586	0	42157	1826	Peptide	0.13333334	1.0666667	0.13333334
4	C15 H16 O2 N2	257.12845	257.12888	-0.07876504	257.12845	12036	13529	11516	10995	2782	5029	10031	18020	2641	11104	12391	12009	1906	5393	13331	22925	25540	4605	5948	14149	14481	5898	14588	23918	18386	12356	12373	19100	13016	15239	14695	12797	15674	15837	13036	16224	15862	14559	30876	6895	5785	8690	0	0	0	7650	8096	0	16318	19192	10028	9992	5402	0	2499	1050	4409	14596	408	2640	20399	4096	1752	1894	3817	4390	7014	26930	7359	9589	12640	15197	13613	16756	24411	13314	0	10516	22745	12854	18949	2635	1700	6409	1226	4556	22315	10663	8268	38684	7360	2532	28332	7187	10298	0	9851	11690	2349	1075	972	19866	10502	6864	3744	16673	937	0	21670	2451	Peptide	0.13333334	1.0666667	0.13333334
14	C10 H21 O2 N2 S1 Na1	257.12943	257.13007	0.2024816	257.1295	55956	46258	50062	55116	7978	12523	53760	79792	6985	16203	21315	57840	1677	3203	53135	101132	96928	16029	27336	22324	13853	60485	52248	100884	55261	18765	55264	11692	41601	67417	83628	87316	65240	50690	20667	63106	64682	51415	78819	12982	25638	49294	0	0	0	24382	25304	0	95624	85465	48591	48791	24894	214	4546	3839	27925	118382	11469	29840	76359	8557	4250	0	13058	13199	21481	133904	0	16751	31847	50888	47510	43238	94323	69073	0	57416	52902	18329	62587	8501	25229	14350	2733	9478	58184	42282	58591	174674	26373	27359	158179	16927	25426	0	46594	50418	0	3400	4665	74884	59525	43400	0	110822	5789	0	82520	3282	Peptide	0.2	2.1	0.2
8	C12 H20 O2 N2 S1	257.13184	257.1322	0.03287914	257.13184	5360	4055	4726	3205	12023	10335	2863	2601	12188	0	0	1368	7479	2127	1080	4725	3493	6749	8166	1873	1495	1941	3537	3126	1586	0	2659	0	2987	1976	1699	2882	8203	2827	0	2297	6444	2436	4254	0	0	4555	0	0	0	0	1644	0	2751	2668	3062	4056	10936	0	40326	4355	2757	4754	0	0	5204	0	6818	31393	0	5009	3501	6282	0	0	0	2494	1601	1413	2714	1482	0	1024	3656	0	2466	0	0	0	3749	0	4574	4859	2745	9940	0	0	7960	0	0	0	5811	4436	7687	4660	4100	5703	684	2575	0	3231	13098	0	2042	13129	Peptide	0.16666667	1.6666666	0.16666667
20	C13 H20 O5	257.13834	257.1386	-0.023094617	257.13834	59486	61537	53212	53289	68908	67388	70972	67937	76559	32161	24640	42783	91638	75278	74175	60674	49127	91786	97265	42307	22785	34542	52103	46399	68712	10068	62337	70726	112165	86442	71954	96530	103377	90357	43629	93296	107523	52890	54677	17677	11840	57731	12541	8036	6353	26393	13914	7802	80723	58052	51410	66891	63834	18614	98911	50816	51270	77356	42639	22359	78128	14496	79016	64687	53643	88026	77060	54379	5177	14232	6577	69413	91956	118882	61741	87509	5719	55535	37561	41152	38397	20802	74600	26059	57975	51151	50520	40467	59347	36725	104115	77250	57425	22523	19618	8716	64296	63440	50662	59263	59462	95129	52378	48438	30369	52848	53357	8291	47256	82004	Lipid	0.3846154	1.5384616	0.0
0	C10 H21 O4 N2 Na1	257.1472	257.1476	0.10043213	257.14722	1830	1703	3078	1780	5196	0	0	0	0	0	0	0	2792	4801	0	0	0	10558	1700	0	2640	0	0	2489	0	0	0	0	12690	0	0	10814	4804	2020	0	3399	0	1783	0	36742	0	0	5792	0	0	0	0	0	14746	1845	0	2524	2722	1243	632	0	0	0	0	822	0	0	0	1858	0	7868	0	1051	0	0	0	0	0	0	0	0	0	1217	0	5271	0	0	0	0	0	0	0	1696	0	228540	5419	6100	0	1803	0	1245	2326	0	0	0	0	0	0	0	2389	4002	0	0	0	19339	Peptide	0.4	2.1	0.2
18	C12 H20 O4 N2	257.1496	257.14972	0.086061865	257.1496	0	1608	2493	0	0	0	0	0	0	0	1813	0	0	1564	1356	3268	2007	0	0	0	0	0	0	2496	0	0	0	57162	0	2574	3509	3226	0	0	0	0	1766	1235	0	0	0	1268	430	0	346	0	0	378	1752	2249	0	1750	0	405	0	0	0	4118	0	0	0	0	0	0	0	0	0	0	0	0	0	2383	1313	3798	0	0	379	0	0	7779	1449	0	0	0	0	0	3664	0	1637	2775	32746	12098	3925	0	0	890	0	0	0	0	0	0	1789	0	0	0	0	340	1495	0	Peptide	0.33333334	1.6666666	0.16666667
20	C12 H20 O4 N2	257.1496	257.14957	0.19574314	257.14963	0	0	1476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18622	0	0	0	0	0	0	0	0	0	0	0	0	0	0	395	0	0	0	0	649	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	431	0	0	3297	0	0	0	0	0	0	0	0	0	0	29816	9732	0	0	0	1136	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.6666666	0.16666667
14	C12 H20 O4 N2	257.1496	257.1499	0.009266076	257.1496	5711	4963	5115	3996	5126	3832	3098	3871	1712	0	3677	0	3518	3982	4215	7661	3145	4443	5323	4495	1565	9327	4623	6380	4346	0	3130	37257	2863	4299	3582	0	3978	4986	0	4437	4501	2266	6158	1607	0	3828	0	0	252	1441	4047	0	5085	3832	7601	4803	3500	653	3278	1266	1422	12181	0	0	0	0	2695	1746	2100	5106	4193	5835	0	0	0	4944	4106	5186	6325	4054	256	2918	3812	22080	2320	2012	1824	1254	1697	0	4126	4065	4661	9991	105325	54879	12194	2836	3508	1081	5157	5864	1038	1168	1439	5169	3889	4682	0	5870	1930	0	5790	3216	Peptide	0.33333334	1.6666666	0.16666667
16	C12 H20 O4 N2	257.1496	257.1498	0.01953791	257.1496	2103	3135	1764	0	0	1546	1391	0	1244	0	4202	0	0	1930	1899	2904	2067	0	0	0	0	0	1942	2479	2438	0	0	62208	0	0	1222	0	2134	1280	0	0	0	1385	2832	0	0	1470	839	0	329	0	0	0	0	2625	0	1519	0	435	0	0	0	3944	0	0	0	0	0	0	2316	1677	2433	3485	0	0	0	1838	0	1519	0	1485	0	1892	1504	15739	2274	0	0	0	0	0	3785	1456	1803	0	50353	26722	0	0	1878	430	3406	2012	0	0	0	0	2221	0	0	0	1016	547	1346	0	Peptide	0.33333334	1.6666666	0.16666667
10	C12 H20 O4 N2	257.1496	257.14993	-0.038586	257.14957	926431	779319	674898	636447	20852	21599	23691	30728	19108	1242931	2867781	14456	33664	17782	19981	42027	30931	29019	26606	27863	14920	676097	18638	39151	32287	3628	29502	5759592	25282	19588	22713	32708	55669	24364	98004	23078	51770	19971	37239	15723	14145	18458	1461	0	0	340945	84889	0	28759	18445	706350	800625	22669	813	24388	11398	10659	41421	23646	16404	44970	8259	21426	17984	9340	32996	18438	40086	0	8690	8054	23001	19908	20107	22311	18349	0	15116	27798	10037794	20580	253522	15503	6425	11731	16134	35629	27849	19484	47778	27406144	12574189	62031	3853490	3876462	914	811811	693710	12101	9720	10758	37521	20498	19329	63836	35357	16996	633	29325	24470	Peptide	0.33333334	1.6666666	0.16666667
10	C15 H21 O2 Na1	257.1512	257.15146	0.45397735	257.1513	0	1961	9510	0	0	0	0	0	0	7585	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10212	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6205	0	0	0	0	0	0	0	0	174047	57474	0	62315	38209	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13333334	1.4	0.0
26	C17 H20 O2	257.1536	257.1539	0.005931747	257.1536	84757	90900	80639	72543	82741	61167	55277	92890	74902	71637	90999	59502	74997	83102	80600	106723	77344	88758	115989	113570	111505	104035	65071	97227	93772	82578	56624	106366	93792	92000	84734	103908	122752	72808	106753	115658	110181	76514	76343	76724	70849	92974	8837	7432	0	60673	42807	6629	91081	83777	82835	81825	78506	0	90381	76571	61583	120644	66490	47168	107547	50100	66092	58696	47729	88709	96291	87704	74981	76626	81088	70470	79462	90424	59718	102751	0	65762	82954	117273	58119	53211	68611	72741	93295	58933	118898	72732	69776	99800	106114	84809	125617	123717	106523	7716	87017	97978	82528	89770	107877	137060	55505	84228	61186	81500	73747	6637	90330	61221	Phytochemical	0.11764706	1.1764706	0.0
4	C14 H24 O2 S1	257.15698	257.15735	0.29792494	257.15704	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5321	0	0	0	0	0	0	0	5664	6275	0	0	0	0	0	16284	11420	13253	0	10191	0	0	0	4615	0	0	0	0	0	0	0	0	0	0	22988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5267	0	0	0	0	19189	14465	0	9090	15635	0	0	0	4591	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14285715	1.7142857	0.0
2	C14 H24 O2 S1	257.15698	257.1576	0.5350922	257.1571	0	0	0	0	0	34869	0	25463	0	0	0	0	0	0	0	13293	0	0	0	0	0	0	0	0	0	0	0	0	0	24968	16288	0	0	12043	0	17879	0	0	0	0	0	0	0	0	0	0	0	0	27882	30655	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19414	0	23286	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14285715	1.7142857	0.0
2	C13 H21 N4 Na1	257.17368	257.17355	-1.0341573	257.1734	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8357	0	0	0	0	956	0	0	0	919	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32032	0	0	0	0	0	0	0	0	0	0	10298	1602	0	2032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.0	1.6153846	0.30769232
20	C14 H24 O4	257.17474	257.17502	0.014322767	257.17474	38254	41310	46759	41393	29871	39277	306376	43160	9218	14302	29824	14428	26676	734664	14866	26034	35346	16570	22087	12064	11917	11731	8531	11114	17971	44639	292728	68547	38972	33582	23193	37416	32843	37075	8857	37994	27597	20153	53707	11604	19439	35738	125772	11188	13542	13334	23099	13528	36122	27998	42208	39483	25381	41006	8636	24507	21970	32508	14008	39589	43092	9385	121303	8892	232322	56131	99738	48279	9380	22713	18032	26978	36879	52132	50671	32247	15278	12682	8034	254723	4768	19035	338054	335735	20337	35765	22487	28510	31218	30491	141940	135854	16600	25792	21196	29662	39281	48068	20632	10386	20690	35026	13156	30801	37088	23667	19805	10890	13610	32282	Lipid	0.2857143	1.7142857	0.0
18	C14 H24 O4	257.17474	257.17502	-0.021706548	257.17474	20708	14632	19317	21960	7808	13197	159712	7415	2433	5226	14947	7383	6714	176817	8138	12882	16860	4566	5818	4088	0	5710	5497	4911	7001	30698	144073	26065	15157	14789	6332	12319	12780	11199	2747	13850	5871	7182	17859	0	7459	14990	16430	1820	2328	5974	10462	2522	11031	8336	17603	17268	4349	4139	2217	15116	15589	9937	2751	13489	34104	5480	49602	1526	134731	18297	57204	25492	12701	6378	7036	9141	12864	15628	14172	11380	1436	4291	5701	49422	4588	17098	116344	140249	8762	17106	19840	17354	12675	64675	50869	89769	18201	5294	10378	2945	16965	21733	20289	5975	13109	8146	6470	8814	9661	10002	8147	1749	9693	13181	Lipid	0.2857143	1.7142857	0.0
16	C14 H24 O4	257.17474	257.17502	-0.031181982	257.1747	11025	5574	10327	14737	3217	3633	40409	4282	0	0	2616	2956	2939	31241	4151	8309	9740	2464	0	0	0	7865	2307	1997	9688	10437	36795	3621	6878	6638	4354	6649	4845	7916	0	6901	5296	4717	6555	0	2082	4606	4559	512	610	1304	4359	548	6773	4375	9655	9157	3486	2222	0	2042	2651	11547	1709	3718	7501	1146	6495	0	17669	10996	10268	9870	0	0	0	7507	9373	12753	7139	6756	893	1940	5791	32182	1864	4859	66907	82590	3645	4912	34606	3012	4752	215970	37290	40588	0	4966	3898	1287	7649	10106	2535	2315	4566	3800	3353	4033	3978	0	2374	442	11257	0	Lipid	0.2857143	1.7142857	0.0
14	C14 H24 O4	257.17474	257.17505	-0.022237387	257.17474	2107	2534	2673	3334	1056	1246	14204	2074	0	0	0	2526	2283	10719	1354	4001	7388	2721	0	0	0	0	0	0	2469	5978	16418	0	2708	2109	2027	0	2487	4135	0	5956	2756	2926	8929	0	0	3079	0	0	301	0	0	0	5198	2534	1964	2360	0	553	0	2869	3143	2244	0	0	0	0	2154	0	5828	2851	6457	6610	0	0	1491	1885	4772	7358	6060	5300	325	2174	1647	0	0	1806	36410	36969	1789	2768	4771	2034	1767	6161	0	3755	0	0	0	480	1897	3469	1164	9515	5936	2828	2080	0	0	2361	2762	0	2606	0	Lipid	0.2857143	1.7142857	0.0
24	C14 H24 O4	257.17474	257.175	-0.025421139	257.17474	17032	15996	13983	15113	14025	18388	74153	10986	8990	15679	27838	6439	9052	34480	17586	6158	9344	5456	10368	9994	38401	2794	8249	7557	12615	7379	60627	135232	12172	9871	8248	14115	5673	7182	13317	11870	7367	13906	10142	10024	5630	14186	26680	4661	8034	3727	9658	4555	11390	11060	17660	11919	13264	18616	8511	5095	13049	12094	14493	9604	11182	9481	13619	5316	36499	35621	44951	11742	2988	1823	10901	8984	10271	13287	8118	8750	8318	11055	4010	121588	3575	31740	44488	46818	6094	13946	13123	8609	8651	10175	93298	80084	10815	15515	6393	7823	17736	18489	13881	3960	9920	13732	7342	13611	48517	10111	7011	5197	7900	7378	Lipid	0.2857143	1.7142857	0.0
10	C13 H24 O3 N2	257.18597	257.18625	-0.0894145	257.18594	2848	3443	2187	4354	1523	0	949	0	1036	0	0	0	1330	1314	0	4219	3086	1853	1733	0	0	2418	0	2858	0	0	0	6196	2118	1926	2192	1444	1947	0	1658	1802	3027	1476	3492	0	0	1573	0	0	0	0	0	0	2041	1477	3765	2552	1275	0	0	0	0	5315	0	0	0	0	1722	0	0	1789	1464	4635	0	0	0	1124	2340	0	2256	1304	0	0	2325	40276	0	0	0	0	0	618	5407	1469	1734	6886	142289	44593	4203	4284	1316	0	2159	3140	0	0	1061	1416	0	0	0	3641	743	0	2251	0	Peptide	0.23076923	1.8461539	0.15384616
8	C13 H24 O3 N2	257.18597	257.1863	-0.025541019	257.18597	3766	4752	4105	3257	5162	1363	1169	3726	2215	0	0	1608	11544	15883	872	4013	1942	2409	2769	0	0	5818	2098	4632	4368	0	948	0	2487	1572	1799	2640	3643	4184	1730	902	3097	2040	3049	0	734	2054	0	0	0	1720	1566	0	4097	846	3297	3537	2714	0	2564	2643	675	7426	0	0	0	0	3152	2739	0	5621	1717	3588	0	0	0	1913	2122	1547	1230	1335	0	915	2810	5727	1650	0	728	0	2269	0	8295	1674	1631	14203	21307	8927	9437	0	1691	0	4966	3412	1370	2770	2560	2708	1406	0	0	4999	2419	0	3504	5397	Peptide	0.23076923	1.8461539	0.15384616
26	C18 H24 O1	257.19	257.1903	0.026925864	257.19	65585	68624	68371	60809	71121	40318	70145	72604	60789	40809	74052	52778	58819	66672	82270	92867	118475	53265	72643	63139	59783	61626	48630	65758	80008	111275	78436	98429	78644	88424	59424	87245	76216	56512	54186	113755	72794	84002	116505	54131	62339	99693	0	0	0	40678	39524	0	71473	83423	76964	70762	62562	0	61466	64362	58752	96203	42462	46505	85751	38619	50898	47186	39793	67712	75208	116347	86116	70764	79965	48672	59143	92179	89156	91796	0	61676	81753	121919	50852	54192	54915	54458	66600	62719	137156	53070	54516	139454	100687	84563	94132	63925	54156	0	68590	70970	82160	90146	97509	101559	62185	65558	43968	58576	78190	0	95154	35675	Lipid	0.055555556	1.3333334	0.0
16	C18 H24 O1	257.19	257.19025	-0.040394098	257.18997	5245	5141	1900	5662	5219	0	9943	7092	2286	0	3706	3798	0	4019	3217	9621	17548	2446	4868	3021	0	6825	3798	4801	6621	2424	7589	2056	4918	4124	6378	3532	4412	1319	3047	5206	4663	6051	21281	1908	2911	4575	679	519	682	1325	2797	684	3313	6402	4538	3587	4858	585	3933	4320	5527	7789	0	7626	6234	2842	1821	1784	3541	1935	4675	17243	4429	1523	3319	3597	3273	5419	18170	8857	335	3479	7736	4957	6340	3072	9617	4972	7462	4801	13437	2777	4738	28133	6249	5051	0	3403	2902	413	6730	4642	5610	10289	12369	4436	6063	5997	0	0	6892	647	13208	2809	Lipid	0.055555556	1.3333334	0.0
20	C18 H24 O1	257.19	257.19028	-0.028949076	257.18997	50782	55935	40630	36833	38728	22522	65903	46083	32603	31256	32699	37714	20125	44743	34685	76473	114661	26807	43745	31796	33320	36308	31210	40515	44153	46857	79761	28346	44626	53043	29695	54915	51688	40271	21842	50821	44523	42402	118799	29367	49018	33759	2816	661	530	23379	45023	998	50509	45815	48638	43879	30645	1495	32164	38344	33194	61937	20187	45523	49477	15796	26280	27856	31306	29637	38513	114325	36216	34754	62344	27852	39751	47798	112188	47945	558	27136	59123	50019	44652	23997	54900	47412	54232	40009	83699	36298	40191	152913	58134	52614	69732	32029	40701	1122	51077	41802	61072	65224	77042	67103	32869	40107	21509	50895	45381	805	57925	23054	Lipid	0.055555556	1.3333334	0.0
18	C18 H24 O1	257.19	257.19028	-0.022801332	257.18997	22036	23010	16584	16805	11969	7705	29736	17202	10704	8077	8232	13428	6287	16083	12724	32009	53097	8055	15909	11848	10309	10892	12099	16463	15631	19868	27744	13460	19014	20042	13677	19214	20374	14175	7275	16731	14546	20531	55830	6430	17974	9890	1005	515	434	8869	11577	719	18632	19016	15944	24856	9931	726	11285	15315	15432	29330	8793	24323	20173	7010	8650	6698	12208	10165	10513	56136	12994	11298	16719	10866	9449	20939	42938	14503	434	9930	28596	23601	20331	12955	23131	19512	21250	18663	43934	14795	12459	76204	20298	23156	29947	10607	17617	0	20693	16808	21335	26045	34687	23987	16811	15476	6240	19129	13495	640	24036	6721	Lipid	0.055555556	1.3333334	0.0
2	C12 H24 O2 N4	257.1972	257.19757	-0.15152425	257.19717	0	974	968	874	349	0	669	657	0	425	0	1856	0	0	451	1687	1583	0	0	0	376	616	366	2089	13464	0	0	0	744	751	1503	1214	1225	946	506	981	598	640	1218	503	520	0	0	0	0	971	208	0	1448	812	0	817	298	0	0	0	0	2261	0	0	1061	0	0	0	0	0	775	1697	0	367	0	990	693	1055	786	1206	0	3270	508	0	4069	0	0	429	0	251	1350	555	0	5453	0	0	3233	0	0	0	1174	1236	0	0	0	946	2001	0	0	1235	0	0	95818	0	Peptide	0.16666667	2.0	0.33333334
6	C12 H24 O2 N4	257.1972	257.19745	-0.12969236	257.19717	2963	2569	2249	2662	0	0	464	822	0	0	0	0	0	0	2393	3187	0	0	0	0	0	6437	15076	39832	4265	0	0	0	0	0	0	0	0	0	0	0	0	2298	0	0	0	0	0	0	0	6956	0	0	0	0	2449	1890	0	0	0	0	553	5360	0	0	0	0	0	0	22570	0	0	0	0	0	0	1031	0	0	0	0	0	0	9067	7116	11814	0	0	0	0	10191	4279	17471	14395	33503	3423	0	79750	970	0	0	1845	1886	0	0	0	0	0	0	0	45490	0	0	766	0	Peptide	0.16666667	2.0	0.33333334
20	C15 H28 O3	257.21112	257.2112	0.014679454	257.21112	0	0	0	0	0	0	21157	0	0	0	0	0	0	7796	0	0	0	0	0	0	0	0	0	0	0	3463	20219	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1101	0	699	0	0	0	0	0	0	0	0	536	0	0	0	0	0	0	0	0	0	0	6508	0	2147	0	0	0	0	0	0	0	0	0	740	0	0	4833	0	0	9343	29300	0	0	3415	0	0	0	4527	0	0	0	0	737	0	0	0	0	0	0	0	0	0	0	0	1290	0	0	Lipid	0.2	1.8666667	0.0
22	C15 H28 O3	257.21112	257.21136	0.00207276	257.21112	3249	3402	3405	1620	2280	4213	67144	2764	0	0	4165	0	0	26475	1697	2083	2909	0	0	0	0	0	0	0	0	9834	62768	15008	2873	2983	3097	0	1770	1457	0	3343	0	2280	2390	1368	3647	2730	7352	0	3252	2872	4885	0	1919	2744	3433	3786	0	5586	0	2429	3024	0	1281	6656	7087	1466	6102	0	22303	1394	3931	3096	2698	0	0	1395	0	2542	1897	1395	3292	1583	0	45418	0	2480	25494	43701	0	0	7683	3355	1085	3877	35714	29034	1713	2739	2949	4385	3300	2448	2013	0	0	0	1804	1307	3752	1465	0	3201	0	2124	Lipid	0.2	1.8666667	0.0
26	C15 H28 O3	257.21112	257.2114	-0.01718327	257.21112	9853	13180	14202	10717	2711	6440	44810	15122	5864	3909	27255	11812	0	32504	80563	7071	20665	0	4815	7918	6318	4137	6588	8137	0	19204	46005	50382	8970	8418	10059	5731	5864	7667	5654	7756	4988	98728	30939	5548	17839	11128	18175	19464	23224	10079	33492	12951	9435	9497	15437	13101	5078	22303	7748	11584	12427	5108	14377	27347	8568	13181	11092	6140	40905	3490	10504	19777	50235	5545	19332	7494	5735	11268	12049	7894	23019	7751	5695	121434	7938	17704	19823	20892	9249	24190	10870	6969	9800	13598	55299	38226	5922	17855	6050	16805	12553	18186	74676	6259	11165	7538	9217	15919	29179	4356	7163	18348	14092	4974	Lipid	0.2	1.8666667	0.0
18	C14 H28 O2 N2	257.22235	257.22263	0.01684397	257.22235	0	2840	1878	0	0	0	0	8276	0	0	0	0	0	0	0	9299	28617	0	0	0	0	0	1142	1486	0	0	0	0	4996	2636	1896	0	20293	0	0	2318	9284	0	30351	0	0	0	289	0	0	0	0	0	3536	4117	0	2610	1448	412	0	0	0	5729	0	0	4035	0	0	0	0	0	0	69049	0	0	0	2537	1900	3431	1438	0	0	0	0	1469	0	0	0	0	0	0	0	1535	0	0	5334	6239	0	0	0	0	2266	2420	0	0	0	10451	0	0	0	3645	0	0	1138	2874	Peptide	0.14285715	2.0	0.14285715
4	C14 H28 O2 N2	257.22235	257.22266	-0.057433847	257.22235	982	936	1198	844	302	0	1090	695	0	0	0	1542	0	1159	439	7599	0	0	0	0	0	0	0	0	0	0	900	0	0	451	86971	0	0	0	0	863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	747	1035	0	0	0	0	0	3695	0	0	6255	0	0	0	0	0	280	0	0	0	0	0	0	1348	4406	600	0	1473	0	0	0	0	0	0	0	0	790	0	0	989	1920	0	520	0	0	0	680	681	0	0	0	0	1409	0	0	292	0	0	268	0	Peptide	0.14285715	2.0	0.14285715
22	C19 H28	257.22638	257.22678	0.01139504	257.22638	0	2002	0	0	0	0	3083	1351	0	0	0	983	0	0	1526	3468	8926	0	0	0	0	0	1477	1745	3395	0	5778	0	0	3024	0	0	0	0	0	2145	0	4061	4721	0	0	0	0	0	0	0	1439	0	0	2819	0	0	0	0	0	0	0	3923	1069	0	1991	0	0	0	0	0	0	6661	0	0	0	0	0	2137	7685	0	0	0	2934	1381	1503	1406	1056	0	0	0	5781	0	0	38174	0	0	2388	0	0	0	1466	1618	0	0	0	1887	0	0	0	1877	0	0	5010	0	Lipid	0.0	1.4736842	0.0
26	C19 H28	257.22638	257.22665	-0.011872859	257.22638	10716	13254	12577	9569	5111	3739	29262	11503	4541	1734	8261	7438	0	14503	9654	15575	22184	0	6881	0	0	9192	8979	15247	18305	12621	29726	12498	11428	15555	10499	15486	9598	7994	3839	18988	6222	12926	28590	5530	10133	8799	0	0	0	6027	6289	0	11938	15877	14152	12598	6533	0	5622	9077	9205	23504	5773	8724	19788	3958	3649	4630	9827	4107	13075	28878	9547	3038	5795	5030	6148	21858	19765	14520	0	7493	30050	22273	10929	12310	12055	9344	7066	0	105419	4423	6495	120338	22759	17287	19807	9712	8704	0	11662	14492	8493	12060	13564	10515	6983	11639	7387	12991	7466	0	27213	1686	Lipid	0.0	1.4736842	0.0
28	C19 H28	257.22638	257.22665	-0.028767485	257.22638	5176	4072	4920	4660	2822	1909	9483	4686	2925	933	5998	4148	0	4773	5281	6603	11995	2638	3340	2369	3209	3898	4603	5492	11367	5718	6198	6053	9665	7491	4124	8494	4777	4274	2431	11250	2834	6048	9060	1738	2811	4763	1187	1765	3679	4571	3366	1887	6072	6231	5092	5918	4516	3796	3562	15251	5423	7136	3353	4406	5808	2421	913	3151	4338	3282	6959	11385	4829	2141	2431	1818	3401	5012	5390	5014	0	3125	11878	14285	4600	5579	5640	5059	5478	4418	32521	2765	3112	19364	8456	9081	5972	10252	4191	2163	3377	5909	5190	14851	12439	7295	4713	5515	5046	5653	7268	1320	7301	1116	Lipid	0.0	1.4736842	0.0
24	C19 H28	257.22638	257.22665	0.022903007	257.22638	5178	4918	4977	6778	2573	2317	16424	7087	1031	0	3045	5865	0	9530	7711	14858	19900	1716	4357	1571	1674	5648	6440	8769	7995	2415	23087	5623	5689	7990	4420	10465	5561	7236	0	8508	3623	5812	23266	962	2956	2640	0	0	0	2258	5509	0	4553	8811	6940	6415	3867	0	2689	3146	4310	13777	915	6015	8773	0	2132	3402	8110	2435	6486	21540	2478	0	0	2319	5233	6945	17077	8321	0	4098	12915	8455	9562	4973	6117	5028	3471	5147	28799	3020	5436	72797	11709	6726	12459	5003	4879	0	5112	9049	6264	2950	3687	7114	3395	4528	3599	6132	3461	0	11437	1693	Lipid	0.0	1.4736842	0.0
12	C13 H28 O1 N4	257.23358	257.2338	-0.22033775	257.23352	0	0	0	0	0	0	72164	5451	0	0	0	0	0	0	0	6528	0	0	0	0	0	0	0	0	0	0	30834	0	33872	20224	6292	1337	0	0	0	5710	0	0	0	0	0	0	0	0	0	0	0	0	63534	8367	1476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10617	17367	9428	37262	14396	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.07692308	2.1538463	0.30769232
10	C13 H28 O1 N4	257.23358	257.23386	-0.07754261	257.23358	32360	26505	27593	0	0	0	1755	187253	0	6189	18007	2047	0	0	8145	152316	51306	0	0	0	0	10154	61637	77958	54509	0	14990	95128	112404	20628	13696	19895	12358	25950	1253	16346	17401	6325	108315	0	0	0	0	0	0	7413	0	0	82182	11739	33524	29302	0	0	0	0	0	220837	0	0	307068	0	0	0	0	0	0	215642	0	8869	6136	34493	80840	50826	11373	24916	0	18089	26667	58314	24288	0	0	0	0	0	13960	2157	972	0	332859	17625	30654	5636	0	0	31646	27282	0	0	0	8270	3168	0	0	210100	0	0	24711	0	Unclassified	0.07692308	2.1538463	0.30769232
6	C13 H28 O1 N4	257.23358	257.23386	-0.056477904	257.23358	13888	14595	15506	15284	0	0	0	0	0	1063	0	1136	0	0	0	0	0	0	0	0	682	0	0	0	0	0	0	0	801	11351	22750	65120	184803	12950	0	1303	50267	0	0	0	0	0	0	0	0	0	0	0	13718	0	13952	7876	0	0	0	0	0	10548	0	0	0	0	0	0	0	0	0	0	0	0	0	6393	40602	2343	0	160073	0	4589	0	0	0	0	0	0	0	0	0	0	944	0	0	0	0	0	0	0	15859	10942	0	0	0	47496	1981	0	0	6530	0	0	0	0	Unclassified	0.07692308	2.1538463	0.30769232
4	C13 H28 O1 N4	257.23358	257.23392	-0.10459453	257.23355	1180	861	1673	1120	0	0	0	12561	0	0	0	4910	0	0	757	10729	0	0	0	0	2229	3355	752	7611	2203	0	0	0	34920	87423	37531	20330	11543	28276	0	43817	144479	675	0	0	0	0	0	0	0	0	0	0	18740	10067	1182	1114	0	0	0	0	0	12056	0	0	13948	0	0	0	0	0	0	0	0	0	0	47672	80358	72474	0	34207	0	18895	3725	0	483	0	0	0	0	0	4487	0	0	20437	1968	0	26104	0	0	0	1247	2636	0	0	0	83582	3308	0	0	14256	0	0	3029	0	Unclassified	0.07692308	2.1538463	0.30769232
2	C15 H8 N1 S1 Na1	258.0348	258.03522	0.7836417	258.035	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3231	0	1365	0	0	6747	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4071	55979	0	0	1595	0	297	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	0.53333336	0.06666667
10	C10 H11 O5 N1 S1	258.04306	258.04346	0.15399541	258.04312	7922	7455	6309	4109	9417	6029	5755	5832	7387	2571	2133	6107	12404	5017	3802	9295	11122	16160	9186	2431	2228	4332	3486	3617	3487	0	7074	2832	6223	4976	6244	7643	13122	10972	3065	4663	13541	2736	20723	0	5682	7705	0	0	0	1928	4747	0	11593	3707	7094	7312	9149	0	5467	4631	3922	16155	0	5827	9258	2181	5688	4381	2400	10235	4491	17599	0	0	0	4143	6909	2610	13000	8302	0	3869	3888	0	4137	2284	1883	0	8338	3582	9566	12850	8261	7955	3484	5948	7272	4225	2280	0	7157	6709	5291	10789	9221	13043	7934	2597	0	7654	8835	0	3868	12357	Organosulfur	0.5	1.1	0.1
8	C10 H11 O7 N1	258.06082	258.06125	0.2235727	258.06088	4847	5737	2555	3795	9018	5589	1227	3025	10189	1072	3312	2353	12751	3795	2261	3169	3984	9827	10846	1035	1367	2321	2912	2277	1038	0	2098	0	1302	3027	1238	1188	4694	1971	1067	1613	4140	1840	3575	0	709	5453	0	0	0	0	0	0	1933	2531	3099	3705	8459	0	10362	8388	3483	3238	0	1636	0	0	22874	13436	3837	11559	5453	4092	0	0	0	1926	1831	1465	1975	1604	0	1391	1792	0	1203	880	0	0	6834	0	3624	8640	7496	3182	0	0	2665	0	0	0	1742	3287	7219	7688	5364	3660	2406	0	0	4561	6510	0	1364	23417	Phytochemical	0.7	1.1	0.1
6	C10 H11 O7 N1	258.06082	258.06128	0.22085926	258.06088	3733	5579	4913	3237	11890	5488	1203	1759	10803	0	1481	3840	11453	3192	1994	2353	6027	11976	13468	1298	1916	2096	3242	2687	965	0	1841	0	2172	1498	2053	2255	4400	3171	857	3259	6345	1654	6853	0	953	7078	0	0	0	0	0	0	3299	905	6015	3429	8199	0	10895	6330	5355	3891	897	1459	3613	0	16855	7981	5430	11219	6339	8320	0	0	0	1930	2338	1327	2708	1565	195	1506	2246	0	1523	443	710	0	10730	5497	4473	8228	8337	7705	0	2573	6116	575	0	0	4081	3574	6548	6890	8251	3862	3064	0	0	4101	7224	0	1123	26566	Phytochemical	0.7	1.1	0.1
10	C10 H11 O7 N1	258.06082	258.06122	0.24414983	258.06088	1498	3894	2736	2720	8193	5156	940	0	9404	0	1554	2339	8431	2380	1671	3265	4159	12086	9361	0	0	1698	3627	0	1153	0	2211	0	1319	0	2122	1781	6103	1220	0	2290	3674	3817	5406	0	0	4179	0	0	0	0	0	0	0	0	2688	3383	5102	419	10779	3986	3391	1779	0	1755	0	0	16226	7386	3435	9413	5186	7114	0	0	0	1720	980	0	2046	1315	0	1451	2339	10943	1276	0	954	0	5971	2901	3595	7579	9093	5739	0	3755	3671	3766	0	0	4541	2822	5700	4239	3976	4022	2542	0	0	3650	4958	0	1095	20084	Phytochemical	0.7	1.1	0.1
26	C11 H15 O4 N1 S1	258.07947	258.0795	0.20985104	258.0795	2291	0	2243	2655	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7713	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3283	1979	0	0	0	0	0	4125	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13419	0	0	0	0	0	0	0	15562	0	0	110547	32526	16498	19778	0	0	0	2012	0	0	0	0	0	0	0	0	0	0	0	2906	0	Organosulfur	0.36363637	1.3636364	0.09090909
12	C11 H15 O4 N1 S1	258.07947	258.07986	0.16500613	258.0795	9140	9277	7922	10209	5908	7919	5013	5480	4530	7598	2366	2100	4289	3550	4582	11871	4986	9505	8166	7990	7734	18669	5146	8849	6091	2538	5216	0	6436	6955	4634	8641	6701	7054	10644	6048	14538	3595	6036	12124	15669	4190	0	0	0	10990	19017	0	10359	6241	11057	12162	6377	0	5257	2468	3034	11089	8858	13651	0	8182	3278	2414	1906	7968	4959	5170	0	4151	4526	4340	4526	3406	6086	3787	0	2269	3053	0	3605	9226	8684	7105	2717	4220	5022	5199	3177	7019	35088	37837	11354	14213	33323	0	9981	9219	4753	8011	3812	11896	1992	14774	0	9430	6788	0	4725	9645	Organosulfur	0.36363637	1.3636364	0.09090909
8	C11 H15 O4 N1 S1	258.07947	258.0799	0.23790957	258.07953	6234	7524	6007	6295	6678	5039	2655	1704	3585	8951	3236	1859	7717	1975	2544	6159	4048	7148	7354	7519	9293	17807	3115	3944	3177	2736	3405	5907	3187	3452	2901	3294	3680	3707	13186	3007	4878	4188	7963	11698	18140	3971	0	0	0	10298	18404	0	4529	2864	4781	6255	5065	0	5787	5368	2381	6969	7582	13080	3797	8808	2840	3930	0	6411	2991	8658	3553	3367	4704	1958	2120	2381	1700	2824	0	1501	3765	7254	2132	7899	7687	6887	6880	0	3391	2444	4152	6473	12021	31770	7667	13939	20090	0	4175	6182	4150	6812	5598	4604	3515	8444	0	4951	6623	0	3331	7100	Organosulfur	0.36363637	1.3636364	0.09090909
14	C11 H15 O4 N1 S1	258.07947	258.0798	0.15960538	258.0795	3661	5096	4695	6014	5415	4219	3701	2401	3455	3355	0	1489	4498	2447	2037	5512	0	6301	3491	3554	2079	5562	0	3515	5100	1736	1118	0	5604	1827	3295	0	3215	5401	4005	3023	6537	1950	2462	11308	10744	2668	0	0	0	3237	4541	0	2962	4515	7615	4968	5794	0	2711	1987	1084	7241	0	6580	0	4558	3220	1414	2400	5470	3490	2614	0	1865	2932	2685	1653	1550	4625	2665	0	1046	0	0	1277	4015	6268	4563	3064	0	3954	6831	4425	4902	19940	21775	6092	6386	12220	0	4367	2505	1991	3330	1501	5344	0	7997	0	6036	3986	0	1855	3953	Organosulfur	0.36363637	1.3636364	0.09090909
0	C10 H15 O3 N3 S1	258.0907	258.0911	-0.024095912	258.09067	0	0	0	0	1325	0	0	1565	929	0	0	0	0	28575	0	0	0	1709	1299	0	749	0	0	0	0	0	0	0	1392	2917	2730	0	3506	2196	0	0	1983	0	0	0	0	2020	0	0	0	0	0	0	1098	0	1611	0	1132	0	988	459	0	1530	581	0	0	0	3200	0	888	0	0	1363	0	0	0	3142	0	0	0	0	0	1230	0	0	0	0	0	0	0	0	808	0	1954	1077	0	0	3673	0	0	0	0	0	709	0	0	1705	0	0	0	1952	787	0	0	1150	Peptide	0.3	1.5	0.3
2	C10 H15 O3 N3 S1	258.0907	258.09122	0.28858995	258.09076	1983	1389	1394	2028	3087	0	645	1940	2646	1464	0	1951	2234	20060	1344	370	2807	2305	2911	1096	1737	2835	1436	2100	1189	0	0	0	1685	1907	2996	2209	3611	1661	1991	1955	2628	1088	2867	1244	2730	0	0	0	0	946	1570	0	2954	1642	1983	1716	1944	0	1676	943	487	3179	1047	1431	658	800	4038	1240	0	2667	1775	3689	0	830	659	2044	1213	671	408	909	0	1638	1576	1864	1309	0	616	676	1560	986	1428	2505	1604	3214	2209	2946	5030	2455	0	0	2317	1681	1339	2003	1115	2086	1719	1652	1002	3052	1405	0	858	2200	Peptide	0.3	1.5	0.3
0	C11 H15 O6 N1	258.0972	258.09775	0.10615829	258.09723	7259	7839	6245	7141	16265	11654	1867	8267	9674	6598	2269	3153	22000	10501	3335	0	2848	28229	19340	7733	14584	11900	4670	6262	3118	1408	0	2118	11026	4671	6792	9383	17984	9860	9840	7885	17166	2210	1880	7066	2675	15019	0	1146	1973	6626	0	1216	13887	5385	7225	6525	16388	1247	10258	5141	1974	15217	2559	1107	3463	1740	33058	15450	5962	20194	22223	1759	1420	3677	1418	8455	13701	9064	0	9289	1375	3644	2144	874	2208	1979	1326	0	3355	2739	2285	8154	17205	2743	13755	7201	9338	1637	1839	1824	7794	8966	2730	3259	3398	10628	2909	9624	2108	11109	3630	1155	1972	47440	Lipid	0.54545456	1.3636364	0.09090909
6	C11 H15 O6 N1	258.0972	258.0977	0.21513955	258.09726	124950	146341	135930	139430	217442	137274	85324	114033	250710	87102	89983	87708	291285	88042	91932	146047	180320	349082	291005	103339	129680	123516	105213	103019	50561	9618	80479	51678	124121	102378	101783	126963	206950	121547	110591	124205	194997	83619	223993	61028	115370	152777	5448	3447	3851	71527	102173	3022	128411	95194	143010	135272	198711	4330	289124	172593	103619	135287	77504	119048	132745	51470	299302	196207	87418	229138	152561	214954	25765	31769	41133	97368	103969	103485	81583	90663	3498	70637	71363	42587	60625	47451	50704	25620	180253	131680	93735	175931	187973	154296	72487	102946	163099	72339	65706	3650	134912	138906	130306	160401	192140	204870	87358	105357	47416	143484	215604	2864	51612	439916	Lipid	0.54545456	1.3636364	0.09090909
12	C12 H16 N3 S1 Na1	258.10355	258.10382	-0.05184496	258.10352	0	0	0	0	0	0	4438	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25267	0	0	0	0	0	0	0	0	0	0	0	0	0	0	301	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19837	0	0	0	0	0	0	0	0	19292	0	1354	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3973	0	0	0	0	3876	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.3333334	0.25
2	C10 H15 O5 N3	258.10846	258.10895	0.1720998	258.1085	23729	21923	20492	21615	34642	26968	9787	18502	36615	6410	10026	17220	48553	16158	12678	3829	23606	43689	43818	8403	13528	25797	18482	20585	6338	522	2309	5929	16818	11266	18707	16532	30904	17918	13617	13951	24479	13241	27391	7772	11029	28326	276	0	0	5269	7187	0	19843	11472	19907	23147	34919	0	37027	21882	16584	28640	5833	8411	8233	5422	55488	35625	21848	49478	34166	30552	2792	2574	3950	15638	17297	12689	2963	14447	0	11836	15110	5259	10633	5090	4151	2714	28117	13433	16190	39775	34164	55321	6249	13803	54830	7655	2360	0	18413	21982	19715	26866	22547	19794	14333	8528	4876	33480	20572	0	9107	78638	Peptide	0.5	1.5	0.3
0	C10 H15 O5 N3	258.10846	258.10895	0.011179884	258.10846	12386	12014	10076	11102	22176	15876	3808	18570	16737	3768	1817	8201	28216	12512	5608	0	12241	32994	29087	5947	10429	17704	12676	13811	7682	0	0	2373	23182	6330	21350	13421	35104	16339	6652	13632	16790	5479	10312	4781	5877	18888	0	0	0	7020	3551	0	14231	8137	11713	11434	25391	0	17431	11386	8008	26256	3037	4153	6811	2336	43166	22612	15231	29512	36594	12263	875	2840	1539	13306	18342	8657	0	14160	0	7042	7566	4046	4393	2146	2092	0	12727	6121	6983	24750	25630	20903	7411	8238	32493	4020	0	0	10264	10862	9044	16220	11863	12240	5562	5648	1933	24049	12425	0	6378	63055	Peptide	0.5	1.5	0.3
0	C13 H16 O3 N1 Na1	258.11008	258.1106	0.05827267	258.11008	0	0	0	0	0	0	6764	0	68504	0	1804	10119	0	0	52573	0	2277	0	0	0	0	0	0	0	17064	17979	0	2085	0	0	0	0	0	0	0	0	0	37029	4823	0	0	2135	0	0	0	0	0	0	0	0	0	0	0	0	34088	35732	43419	0	0	1162	0	0	0	0	7840	0	0	3270	1342	0	0	0	0	0	0	0	0	16223	0	0	0	0	0	0	2701	9154	0	2307	0	0	0	0	0	0	0	0	0	0	63128	613	1152	0	43594	0	0	0	5562	0	1593	0	Phytochemical	0.23076923	1.2307693	0.07692308
12	C15 H15 O3 N1	258.11246	258.11285	0.1649136	258.11252	26039	26763	28644	29314	9540	12639	17589	19987	11047	51665	41849	8756	8619	10475	13082	30002	28696	20477	23186	59831	70863	44821	14860	30115	18194	72579	16778	30441	17037	17995	19794	21455	35523	21210	53632	18025	21462	14769	27031	54528	71278	14040	1523	622	980	25831	39787	1354	26135	17865	23409	32847	13927	744	10381	9666	8742	22227	7431	20088	21514	26437	17222	9361	8174	14459	16058	34783	48182	82891	112669	15519	13945	17728	24719	20059	817	10897	22649	32811	15585	19050	14514	34775	10178	12044	23141	18506	15796	48888	39765	31772	40195	40622	56383	1430	25807	27028	11687	10478	13770	30048	13314	26203	0	24866	11075	829	18481	15886	Phytochemical	0.2	1.0	0.06666667
20	C15 H15 O3 N1	258.11246	258.1128	0.18680687	258.11252	15471	16095	15861	13865	11279	8425	9113	9127	6653	33824	44782	9924	5157	13651	6141	19779	16135	13182	8526	35215	38211	26703	8929	12479	8570	37118	11910	43291	10351	10239	7395	10706	16569	13348	29863	13651	12997	7064	12386	54647	73732	11498	2375	1540	1128	19315	26377	1433	15120	9912	13201	22141	6957	1103	9372	5210	7440	14869	8203	17962	13672	32792	9613	7970	6334	9571	11271	18068	34276	23877	47911	8878	7620	8336	11583	11221	1026	6585	9388	41231	7753	14101	9492	37664	6838	4437	16851	14307	11148	25292	24901	24960	20026	36807	32413	1627	21509	14372	7526	5048	9485	15194	7993	16660	16318	18512	4632	1348	11507	9492	Phytochemical	0.2	1.0	0.06666667
6	C15 H15 O3 N1	258.11246	258.1129	0.14612529	258.11252	23663	30293	26282	26547	19553	14753	14036	21324	17388	104081	68652	12230	16062	15057	14990	30672	22813	23579	29609	97546	107810	34719	16567	26292	16445	83665	13697	61754	16796	12517	18162	17641	27656	18293	87685	17861	25852	12071	26959	34402	42810	16181	1582	673	730	26109	35438	699	24145	17705	29257	27197	18519	761	19163	10195	9748	27267	2846	12267	27796	19601	20600	12595	8081	21987	19622	32348	58190	94837	116657	17848	14685	11443	14562	15263	483	11483	21431	35590	15326	12501	6145	32738	14781	9963	24308	19923	17083	52016	28403	14528	39876	36484	66381	1057	29162	25953	11364	11191	13090	29194	14300	15656	12159	26860	11170	886	14989	22569	Phytochemical	0.2	1.0	0.06666667
6	C14 H15 O2 N3	258.12372	258.12415	0.15583944	258.12375	5578	7435	5610	6212	2192	2215	4608	6814	1105	7480	7265	3655	799	0	4279	11181	7083	2006	2490	6936	8427	6632	3654	10919	6989	4662	4395	7692	5266	6016	6414	6781	7361	6355	8553	5931	7321	4504	8210	4889	5729	3026	0	0	0	4998	7591	0	6008	6706	6382	5791	2761	0	1318	981	1740	10686	0	2435	6572	2360	693	0	1266	0	3369	11217	3561	4377	5776	7078	5010	3109	4609	5232	0	3538	4598	9483	5433	1980	1776	3607	0	1824	5671	4184	4114	29225	7951	2707	20175	6601	7850	0	4673	5829	862	0	0	6594	3802	4582	0	10499	834	0	9372	1155	Peptide	0.14285715	1.0714285	0.21428572
12	C14 H15 O2 N3	258.12372	258.12408	0.30285874	258.12378	2386	2422	2701	2625	0	0	0	5186	1392	1550	2870	1686	0	0	2051	5965	6768	0	0	1767	3613	4083	3768	3935	2370	2943	1455	0	2174	1258	2122	0	3249	3394	3284	2566	6494	1881	7848	1820	8084	1335	0	0	0	2348	0	0	3521	3078	2488	2344	1234	0	0	0	752	3141	0	0	0	2194	0	0	1055	1242	1318	8375	0	2470	3517	2668	2665	1337	3358	5144	0	2409	3510	0	2739	2197	2986	1758	0	0	5534	1952	1014	25495	3664	6686	13920	5832	6494	0	0	2386	0	0	0	2239	3355	0	0	5343	0	0	5657	0	Peptide	0.14285715	1.0714285	0.21428572
8	C14 H15 O2 N3	258.12372	258.12408	0.13510387	258.12375	6953	6064	4465	7525	871	1120	4438	5371	1168	4795	4663	4419	0	0	2544	10404	8685	1238	2041	6306	6006	15625	4496	13827	7876	4336	4654	5985	4873	3910	4760	6233	5560	4107	4594	4725	4468	4263	9750	7947	6584	2766	0	0	0	5676	9069	0	6789	5774	5337	6441	2445	0	0	0	1966	9670	0	3380	7400	4226	0	967	0	1159	1987	12110	0	2465	5243	5673	3080	3382	4340	4525	0	3691	10494	13794	4780	2773	1624	7268	0	0	10512	3256	2187	42010	18355	11079	37865	12391	18829	0	7249	5652	0	832	0	4679	2551	4133	0	12530	0	0	6697	916	Peptide	0.14285715	1.0714285	0.21428572
2	C17 H16 N1 Na1	258.1253	258.1261	0.7864585	258.12552	0	0	0	0	0	89068	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2629	0	0	0	0	0	0	657	0	0	0	0	0	0	0	0	0	0	0	0	470	0	669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0	0.9411765	0.05882353
6	C12 H19 O5 N1	258.1336	258.13403	0.07181603	258.1336	105052	112166	107593	113333	105320	74140	86222	106628	117199	89344	58107	74909	149872	51481	85868	137865	153585	192405	177776	143013	140840	122515	77136	96512	57506	31636	71590	45460	130698	108018	101022	137024	184444	122443	121663	137568	176780	71250	182131	62708	96350	99943	3859	1432	2189	94855	122456	1354	143091	91514	111778	108314	103506	2563	150356	103396	62766	140794	86084	128133	133709	51343	139884	92410	45950	137439	95525	176730	41704	45559	59029	86061	103758	110438	84177	97106	1387	66827	68798	46670	56902	63180	93535	48031	129295	91608	89997	92659	114890	136860	95461	136796	130570	70892	93901	2362	104160	111050	70429	117167	156246	180376	70007	207040	55527	97650	126029	1679	56477	175988	Lipid	0.41666666	1.5833334	0.083333336
0	C12 H19 O5 N1	258.1336	258.1341	-0.056383252	258.13358	33064	31861	28802	27144	39213	54446	8788	52647	37449	27996	8802	17529	47001	22490	13550	12173	19137	76362	58825	34402	62228	52812	19325	24602	14677	5838	2752	9462	74513	17979	52130	40834	201794	51993	50132	45970	61141	12415	24562	37616	15129	49387	2384	1176	1803	25535	10550	1017	54200	17326	30971	30254	47618	1074	79060	21748	10682	78046	22349	11818	23625	9840	61104	48213	20653	45302	67777	25103	7630	21440	10213	39083	54600	40189	4037	49237	1588	19868	10313	5310	8082	7526	10432	5275	17067	14991	14764	33034	58937	22031	45791	51930	45423	14419	10991	1809	25540	30542	16111	20071	19032	41966	13251	35090	9852	51612	23654	1180	9772	98924	Lipid	0.41666666	1.5833334	0.083333336
12	C12 H19 O5 N1	258.1336	258.13397	0.10436086	258.13364	150526	160889	180040	164436	197897	178183	213466	193747	170981	140767	87016	94530	211607	198878	151006	216053	202898	342540	311064	236333	192593	167340	140942	127738	174525	98996	109747	106375	287114	161324	169438	237760	236347	238126	160834	249400	250124	117355	214591	101556	95820	179666	27253	6286	7373	104335	82665	6631	217880	139644	184160	166942	196795	15458	233033	133617	90634	261788	106199	101133	182179	61091	187145	142637	111934	218307	191207	174875	43559	69254	56214	160454	208864	221994	147345	185597	8075	117409	86344	84046	68766	90935	307050	211859	136608	148872	185445	153215	178798	149697	440309	358712	172516	69947	153328	13311	184046	205052	139678	114361	158059	249391	104376	152399	59658	165810	200189	7278	111028	241156	Lipid	0.41666666	1.5833334	0.083333336
8	C12 H19 O5 N1	258.1336	258.134	0.08573431	258.13364	148211	174625	128006	163786	167997	152890	144533	189998	159815	104338	75262	119987	232334	103471	148480	252362	270829	306843	293781	208324	175928	153193	127931	134742	115946	65157	137901	87404	244416	206740	165574	231233	230050	207109	158683	231215	237086	117953	278759	100325	110124	182336	6687	1843	3419	142875	142950	2081	221406	167674	159251	156993	167309	5415	240810	141504	92499	210720	124779	120591	210543	73683	174964	157543	83562	210350	156373	233813	59554	79112	74922	168066	214821	224515	197107	214514	1926	119563	107487	88776	73714	99384	186084	110419	175466	120946	143463	155447	169873	167286	141674	209988	188198	103363	149172	3930	159830	210549	111864	167938	211281	282724	113680	203195	48950	140836	172740	1911	94218	210229	Lipid	0.41666666	1.5833334	0.083333336
10	C12 H19 O5 N1	258.1336	258.13397	0.1015342	258.13364	211797	196404	197030	186908	238572	208794	252868	240498	191553	137166	86772	150111	295116	218821	188736	331430	259952	439101	380842	242314	212942	167160	173797	185923	206468	119229	200788	119402	335242	254254	192148	263925	417207	254305	159263	301174	363396	145083	260667	121515	117127	241638	17177	2918	4125	160266	131441	3624	263051	186118	207066	194774	224472	5641	278177	164898	108970	355251	142598	143487	299305	72997	190211	187925	145753	258181	207701	237068	68351	94571	79724	177212	217914	275465	273166	221483	2583	140405	129839	107193	98955	112303	418632	222284	208144	191118	226267	214703	220940	218270	199675	224946	218010	107197	171554	18197	207806	264836	135329	173673	223757	521809	146956	272556	73028	179480	227348	4034	143631	265409	Lipid	0.41666666	1.5833334	0.083333336
4	C12 H19 O5 N1	258.1336	258.13406	0.10070625	258.13364	56987	62657	58688	59426	62456	39218	33476	48839	70208	41762	32186	35958	190614	33017	31712	56250	72706	172732	165264	58516	60557	161588	33177	44031	23624	15508	37577	21802	45710	40583	42025	49950	79632	44416	64650	50431	74838	34365	93379	50181	55336	46814	2614	1746	2243	45679	50722	1936	55338	43707	59541	47036	61545	1728	158384	58286	33235	117122	46291	57331	51737	30791	193806	131416	26180	153304	40685	66364	27075	27078	27369	39867	41948	49135	27931	43438	1376	32532	42378	23326	28393	28457	37242	20277	53794	78398	44077	42109	54862	119244	54529	74019	164374	40488	46803	3485	53291	61725	50236	64851	68273	66795	34306	67783	30701	95402	57036	1484	27413	255432	Lipid	0.41666666	1.5833334	0.083333336
2	C12 H19 O5 N1	258.1336	258.13406	0.12428589	258.13364	155640	159436	68641	159738	212766	97120	25998	142284	206902	87669	43083	79794	314356	88660	64582	66314	92042	295744	268926	179630	245600	259998	73550	103936	47360	9578	11557	26975	103645	111088	168808	175124	296024	165536	123440	77804	253992	58098	57839	217748	112478	75432	2385	1156	1696	104026	72962	1097	98941	84932	146744	158624	203094	1578	229058	108912	60100	242648	93336	82918	89326	60962	368020	214296	31941	267288	193950	50362	21311	91430	68124	157202	173714	130496	31244	147648	1456	77778	55190	19971	35598	22493	24059	17787	114678	61844	68628	152066	204904	128368	110263	259464	94387	41546	86740	2340	156378	77091	103692	149694	134484	173434	73850	188084	54982	167394	109258	1021	40970	495836	Lipid	0.41666666	1.5833334	0.083333336
2	C11 H19 O4 N3	258.14484	258.14532	0.10778902	258.14487	71013	72107	61942	63279	54694	48068	45020	68162	78001	34444	27722	44752	83477	24043	59695	58560	91166	104319	96437	39235	44695	80533	54944	70749	35534	6164	27918	43430	70430	42356	67460	70681	114346	55665	50776	61753	96601	49819	102786	30618	28825	68859	369	0	0	31413	25338	0	75112	42024	60887	68490	72231	0	100967	30083	40387	94931	28996	27643	54636	15972	82641	80323	34834	88698	75484	108718	10603	18912	17864	50565	61476	52167	39302	49218	0	40489	45076	75669	36414	16357	20251	9763	44490	54841	51014	69279	74853	126613	101883	99744	150682	34900	27192	0	67248	64570	39657	36509	35912	74855	45803	55876	19485	94800	40502	0	45053	125712	Peptide	0.36363637	1.7272727	0.27272728
8	C11 H19 O4 N3	258.14484	258.1452	0.111417934	258.14487	5113	6109	5807	6525	1478	1898	3064	3223	2198	2584	2686	3491	1779	2621	3309	7556	4416	3417	4270	0	1428	5607	3808	7365	3497	0	3373	20211	5517	4025	5036	7566	6605	5216	2891	5055	7862	3073	4948	0	739	2208	0	0	0	0	1241	0	6300	3929	5046	5080	2438	0	3037	0	1637	5416	977	1974	6428	0	2719	1639	0	1691	2917	7084	0	0	0	3573	6482	3593	4624	4189	0	2806	2796	17082	2962	1071	1124	829	1045	0	4950	3659	3064	12787	27217	21824	14254	3213	1690	0	5665	4035	1815	917	1887	5735	3361	1924	0	7554	0	0	4242	3976	Peptide	0.36363637	1.7272727	0.27272728
10	C11 H19 O4 N3	258.14484	258.1452	0.124568716	258.14487	2327	2860	2806	1050	1590	1247	821	2712	1088	0	2525	1995	0	2056	1189	4733	3776	1439	1228	0	0	2438	2035	4290	2209	0	2266	9153	2944	1450	2226	2146	3568	3278	0	1788	4705	1275	5316	0	967	903	0	0	0	0	0	0	2397	1370	3970	3074	1306	0	0	704	0	4626	0	0	0	0	1022	0	0	1216	1104	5151	0	0	0	1636	2132	2401	2979	2323	0	1004	2737	25145	1425	1079	810	0	0	873	2257	1969	2089	5646	36540	17386	7372	4571	0	0	3324	2586	0	0	0	1929	1513	0	0	2388	832	0	1427	0	Peptide	0.36363637	1.7272727	0.27272728
6	C11 H19 O4 N3	258.14484	258.14526	0.14915638	258.14487	9049	12151	10531	10646	5189	4907	8562	10114	5831	5305	6755	6419	6903	3633	10093	15669	15494	9125	12934	3966	4669	16161	8637	14296	6768	536	6315	20246	11259	9490	11007	13035	18757	10295	6765	11709	16128	7415	22165	4152	4816	10278	0	0	0	6186	4740	0	12548	8651	9876	10842	7754	0	6388	3324	4733	19461	2916	4363	14466	2461	6559	4401	2381	8765	10806	22428	0	2737	3071	8562	8758	8554	7836	10077	0	6776	6797	15888	6316	3927	3739	1457	5848	5712	12200	8072	9814	27126	27532	18384	27935	5921	4411	0	11295	10489	3054	3024	3821	19051	6668	5233	0	16201	4362	0	7473	7813	Peptide	0.36363637	1.7272727	0.27272728
16	C16 H19 O2 N1	258.14886	258.14917	0.1869232	258.1489	8889	6350	8919	5027	0	1897	2690	4309	3479	21575	21716	2537	0	1538	0	5148	7672	1907	2520	20204	26093	7810	3069	3066	2121	50696	3466	16357	2845	4877	4270	0	4434	3711	12382	2519	3538	2300	7621	23331	42820	3534	0	0	0	7279	12196	0	4242	4033	5501	9879	2201	0	0	0	1024	4652	1775	8212	0	9908	0	1430	1099	2344	3077	8993	36538	44091	74650	1816	1612	2935	3571	4175	0	1840	4089	9823	2103	8602	3173	22011	1946	1569	2141	2694	1851	0	8203	6366	0	13151	12510	0	6079	7780	1173	1181	0	5920	1986	5359	0	0	0	0	4163	1621	Phytochemical	0.125	1.1875	0.0625
6	C16 H19 O2 N1	258.14886	258.1493	0.10031783	258.1489	19291	16119	17981	18707	4927	7489	7330	21032	3148	56679	33303	9432	2145	6634	8723	24712	15060	5684	8130	63250	63452	15114	9985	23507	9851	61985	9286	32664	14999	16856	16885	20972	21087	18967	59258	16847	20825	9296	21474	23964	10705	7135	0	0	0	14573	17043	0	26616	20004	18333	20336	5883	0	3310	625	2921	19931	0	1986	22872	10389	3488	2569	2566	5766	8871	20089	33876	66671	73608	20945	15866	13435	15474	16531	0	10487	9208	18961	9864	1189	1270	21472	2157	2052	10034	9783	10353	39068	21868	3723	32052	17166	47563	0	17180	15063	2922	897	1435	19962	8731	9985	7454	22108	1605	0	8253	3793	Phytochemical	0.125	1.1875	0.0625
26	C16 H19 O2 N1	258.14886	258.14877	-0.19347872	258.1488	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8540	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19004	0	0	0	0	0	0	0	3894	0	0	44770	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3921	0	Phytochemical	0.125	1.1875	0.0625
4	C16 H19 O2 N1	258.14886	258.14932	0.09332997	258.14886	20055	22025	20213	21640	3685	6409	19397	30832	2652	42395	26598	12397	1869	3963	11760	41260	23719	6685	10670	47286	50191	16585	11558	35740	32812	49692	24935	22404	23289	19998	21808	26419	29008	23286	41632	25265	26063	12408	22309	20890	11003	9428	0	0	0	14018	14771	0	31625	29503	21535	19316	6968	0	3956	648	3394	36003	0	1309	39528	10319	1466	3849	3382	4779	7286	29740	23017	42459	51869	26529	21604	24843	32063	19222	0	16501	21382	17488	19956	4379	3894	25626	10901	9022	20232	10843	9938	105745	23634	4575	112791	15219	35906	472	19236	21876	2895	9266	7597	22251	12937	13463	6100	78936	7614	0	19675	2179	Phytochemical	0.125	1.1875	0.0625
8	C16 H19 O2 N1	258.14886	258.14926	0.087501496	258.14886	23300	26597	21390	25028	3895	6913	13651	35731	2735	59459	38444	16931	2276	4551	13227	33800	30583	6856	10070	75807	68804	8700	11255	23941	15166	59712	17077	48401	31320	32039	36838	49460	37000	39148	64584	37618	40506	13210	34694	27877	19880	7086	0	0	0	13949	21454	0	37831	29957	22650	19820	6573	0	3245	1736	4982	25239	0	5132	26388	11407	1999	3133	5623	4088	9365	40173	31750	62039	70981	42993	43098	43292	32683	37613	0	16712	9689	16333	11233	1451	1469	27619	2355	0	11877	14513	13780	38248	32453	0	31370	20568	41061	0	25091	24350	2227	844	0	38280	16745	14509	8197	26417	0	0	14010	1912	Phytochemical	0.125	1.1875	0.0625
2	C16 H19 O2 N1	258.14886	258.14932	0.038498472	258.14886	15602	14551	15914	15136	1615	0	10421	34875	1350	17688	9586	15051	0	2716	14159	36986	21506	3295	6605	24882	21387	10170	12532	30941	12518	12738	15840	8870	26112	25940	27932	27177	24816	23559	16800	28479	22446	12176	23184	14300	9619	7728	0	0	0	8276	8728	0	32992	31214	13114	13980	4160	0	1976	432	3237	23502	268	816	29382	6197	1214	1836	0	2564	8083	30731	6823	12130	13503	26206	25851	31411	41100	27861	0	17227	11547	8710	11237	1743	2264	10995	1155	2272	10111	7672	7916	33401	18954	4248	34281	6790	21602	0	14246	16557	1565	328	721	25552	13611	16384	3180	18804	651	0	10159	760	Phytochemical	0.125	1.1875	0.0625
14	C16 H19 O2 N1	258.14886	258.1492	0.17750031	258.1489	9381	6663	5698	9797	2652	1549	3706	6743	2275	12625	8017	2370	0	2165	1803	8535	5322	2545	0	19437	15340	5817	3952	7169	4247	28108	4521	9838	0	2506	5236	0	4026	5126	14477	3317	3280	2816	7344	10878	19798	2669	0	0	0	4322	8436	0	6131	4557	7515	7785	2609	0	2154	0	2981	9769	0	0	0	3422	0	1203	1553	3147	4147	10032	0	19379	36068	5048	3843	2834	5785	4454	0	2656	9717	0	4933	2869	3769	12035	1101	0	7884	3751	2980	21474	7469	4845	13540	9718	12771	0	7664	5017	2451	0	0	2753	3044	5190	0	9207	0	0	8810	1469	Phytochemical	0.125	1.1875	0.0625
10	C16 H19 O2 N1	258.14886	258.14926	0.14753896	258.1489	18835	18590	16512	15936	3942	5918	6828	23071	4248	58429	43370	11105	2311	4609	9705	28520	22783	6905	7050	81233	76318	9825	10672	17100	13002	59809	13184	43856	18679	19800	17055	27415	26660	27400	59768	23553	25587	9498	28600	36074	18346	7968	0	0	0	14926	20202	0	28222	19535	18056	19649	7475	0	3568	1241	3656	20922	0	4494	23132	8413	2693	2177	2653	4812	9148	31647	34204	59410	74752	26924	23478	23875	25412	22258	0	11958	10591	13711	8666	1654	0	25519	2793	2132	10371	10779	9438	32908	21924	2013	25914	16629	41249	0	17839	20377	3169	837	1910	24427	10597	7929	0	24563	2165	0	9440	2401	Phytochemical	0.125	1.1875	0.0625
24	C16 H19 O2 N1	258.14886	258.14917	0.06307568	258.14886	1496	1308	0	0	0	988	0	1318	0	0	1145	857	0	0	0	2067	0	0	0	0	0	0	0	1352	0	0	0	2088	0	0	0	1463	0	1289	0	0	0	0	0	1555	1856	0	0	0	0	0	1413	0	1283	0	0	0	0	0	0	0	0	2020	0	1129	0	0	0	0	0	0	0	1595	2641	1759	1903	0	0	0	0	0	0	0	7658	4142	0	0	0	0	0	0	1628	0	0	34962	1637	0	1620	1506	0	0	1460	1099	0	0	0	0	0	0	0	0	0	0	1015	0	Phytochemical	0.125	1.1875	0.0625
22	C16 H19 O2 N1	258.14886	258.14923	0.29099035	258.14893	3415	1925	0	2073	1617	1567	1965	2689	1638	3430	7273	2674	0	0	0	3373	2645	0	0	3512	4303	6236	1118	2339	1682	28195	0	5342	1836	2378	0	0	0	1960	1985	1859	3344	0	2199	5401	14739	0	0	0	0	3116	9883	0	2167	3260	2273	1302	1621	0	0	0	0	3534	1650	4101	2857	3821	0	1628	0	1462	3329	1963	19309	12143	24082	2792	2268	2648	1482	2861	0	1637	1428	7004	1398	4280	2330	6255	0	1597	1543	1824	1176	6311	4272	3368	4418	6952	5394	0	3695	1658	0	0	0	3139	1657	5386	3941	3480	1360	0	1494	0	Phytochemical	0.125	1.1875	0.0625
12	C16 H19 O2 N1	258.14886	258.1492	0.106465295	258.1489	8509	11045	10585	10701	2592	3465	4709	6943	1776	21608	17361	2858	0	2926	5479	15121	16909	3173	4671	39022	36539	5886	5382	10480	5028	39596	6008	16251	5378	5339	5171	8171	10231	9844	31683	7679	6459	7024	12706	15440	18185	4868	326	0	0	6113	9732	0	10475	5117	8507	12847	4978	0	1460	0	2083	11578	0	0	0	3334	1389	1832	1383	3477	4554	12725	0	32039	49484	8759	6387	4919	9533	7340	0	4263	7179	0	8526	2924	2460	14154	0	0	10677	7162	4756	34802	18676	3272	16449	6591	24485	0	8751	10317	2163	1493	0	10504	3439	3440	0	11038	1378	0	8984	0	Phytochemical	0.125	1.1875	0.0625
18	C16 H19 O2 N1	258.14886	258.1492	0.16558543	258.1489	10887	12722	12162	11401	5379	1919	2345	3792	1126	25921	34585	4438	0	0	3064	9374	7534	3041	3532	27969	34343	14085	3097	6930	1839	71926	5219	38597	0	4098	5639	5153	6793	4938	17943	6103	7154	0	9141	34547	69146	4469	0	0	0	11736	26711	0	6702	4324	12646	11332	2880	0	2717	1747	2849	6475	4883	21115	6289	19763	0	1714	1774	4196	5777	11232	58755	56914	95320	4350	4073	3795	6117	0	0	1999	3202	27741	3482	9936	7332	30962	0	1960	6375	6187	4859	18021	17385	14256	6965	26379	26370	0	13668	10419	2813	1342	2001	6317	3865	12518	5131	7376	2167	0	4860	0	Phytochemical	0.125	1.1875	0.0625
20	C16 H19 O2 N1	258.14886	258.14917	0.21396382	258.1489	7338	6469	7684	8665	3523	3194	3235	2836	1306	16671	15886	3056	0	2247	5498	10552	8067	0	2523	12370	18101	12802	3104	6286	0	53493	3655	25694	7267	3364	4517	6006	3647	6668	13169	3406	6866	3631	5665	23624	47084	2086	3415	0	0	17165	24518	0	7416	5320	8370	11040	2579	364	0	1356	2336	7453	3845	12250	5928	11556	0	1347	2012	3447	6065	10225	40613	33367	76804	5594	5787	2886	3407	3438	0	1216	2130	21556	1216	11144	7330	13145	1258	1630	3950	4553	3142	13337	13013	7851	9471	18986	20638	0	7422	6470	2639	1525	1387	5259	4847	9287	11526	3873	2788	0	5040	1387	Phytochemical	0.125	1.1875	0.0625
18	C15 H19 O1 N3	258.1601	258.1604	0.01344309	258.1601	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1326	1601	0	0	0	0	0	0	0	2035	1868	0	0	0	0	0	0	0	0	0	0	0	0	0	1536	0	2372	0	0	0	0	3077	3091	0	0	0	0	0	0	0	0	0	0	2437	0	3839	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4403	0	0	0	1988	0	0	1550	0	0	3978	26700	0	8879	0	8728	0	0	0	0	0	0	0	0	0	1507	2551	0	0	0	0	Unclassified	0.06666667	1.2666667	0.2
14	C13 H23 O4 N1	258.16998	258.17035	0.14050277	258.17	70248	55646	65330	66710	27253	155387	477775	66866	10115	37360	46703	25712	37702	841327	31682	61796	109518	32867	82460	40176	47975	28968	27320	29589	33281	217692	438016	53940	102579	79932	39909	68712	66153	65478	22969	102181	58994	26563	85025	13687	48729	179868	17499	1194	1209	41843	49171	1353	74058	55728	71286	66460	24650	3184	14987	168351	135861	67172	14709	59938	130829	25180	203472	10536	350288	44204	347946	85480	72559	74626	58027	51926	72750	102800	93732	73699	975	28226	24026	53882	21023	182860	537933	1164293	28461	24904	30692	41419	99338	47339	51808	43076	42302	15253	32715	3663	60009	86470	131640	24453	33814	81565	21241	41388	16607	40882	21243	967	28830	44585	Lipid	0.30769232	1.7692307	0.07692308
8	C13 H23 O4 N1	258.16998	258.1704	0.17666821	258.17004	29166	35641	28337	32393	15912	11920	27973	42768	9773	38531	22290	16919	17871	191626	14008	28736	29896	16040	25872	20573	23008	34212	11885	31777	12682	10168	84122	8795	23383	30643	30505	33576	30881	22681	32977	26540	32480	16800	30790	14674	31102	15255	471	0	327	20359	27443	0	31717	41104	27748	32050	13476	620	12812	12909	7753	31538	3322	8846	53285	7157	38260	9521	109844	13305	11909	34556	12387	20435	35577	37424	32529	37805	25642	32464	273	13349	16492	11626	18670	41607	8425	8308	9017	7397	18186	8783	14004	32944	38048	26154	29314	24262	30457	406	29730	30471	24218	10024	11017	33376	15773	18233	0	23479	10060	0	18552	27883	Lipid	0.30769232	1.7692307	0.07692308
18	C13 H23 O4 N1	258.16998	258.17032	0.1800359	258.17004	14666	15202	20456	14237	17220	17459	39505	23065	8387	6348	11888	12276	23141	43462	13195	32655	25365	33298	29275	18157	20081	6952	14057	13116	21531	2905	35414	17846	38326	24634	18256	28695	23386	37484	9013	28912	23144	11454	24562	4306	4699	24689	2890	874	995	10112	16173	952	25709	23321	17047	15916	14609	2507	12107	11505	9935	25395	8409	14697	31684	3375	13791	7048	23383	29158	42892	27233	1911	0	0	24462	32856	35443	31903	24422	1251	11214	11711	25477	5577	13280	19328	32433	18111	15576	17833	26219	20839	16533	23255	26735	11278	13451	21870	1383	14110	25440	14781	10914	18422	27270	9785	18195	9131	18872	14094	1037	13815	10782	Lipid	0.30769232	1.7692307	0.07692308
10	C13 H23 O4 N1	258.16998	258.17038	0.13458915	258.17	19552	19026	21380	19531	16042	17548	18656	25701	10180	11781	9441	13489	24207	13146	17752	27413	34458	27620	27369	25593	25280	13492	14436	16085	18411	14486	21458	10813	24857	25042	15419	26023	28671	18464	20472	25118	31334	13099	30766	13894	12761	17555	1219	560	422	15696	13620	0	28123	19255	19967	15030	16901	783	14604	19122	10020	31829	5510	11269	29433	5839	15716	12295	17792	21260	17934	31973	9342	12207	16535	19251	17288	16824	22561	19229	0	13868	12855	13259	9294	10366	12149	10219	16529	15740	46399	14102	13635	24562	39803	22434	18317	10284	16923	0	14333	23615	7747	26856	51331	35388	14345	18544	0	21691	16884	488	14820	18040	Lipid	0.30769232	1.7692307	0.07692308
20	C13 H23 O4 N1	258.16998	258.17032	0.1643434	258.17	7195	7195	8583	7379	18522	12633	12404	11402	6035	2985	4341	4995	13529	96772	9367	16693	13663	19740	17475	3738	4206	2737	6053	5916	11062	0	22651	5383	14347	14926	8528	14842	11848	15187	0	14624	10469	5930	9351	1906	4985	15337	3348	1237	1472	3858	4118	908	12081	9280	12377	7640	13466	2423	6279	9311	7135	13724	0	9609	17930	1274	5759	4881	19944	19975	33983	11937	0	0	1886	4840	13175	17448	12743	10173	1424	4977	4799	11074	4349	3822	3939	0	11878	11257	9918	12437	12505	9430	11606	8755	5709	3004	3912	1543	8809	11686	10888	8728	16389	17116	4941	8452	6146	6977	11653	1365	6634	12897	Lipid	0.30769232	1.7692307	0.07692308
22	C13 H23 O4 N1	258.16998	258.17032	0.20280382	258.17004	12376	10439	12739	10689	10341	7683	19056	5043	5693	4650	6466	2285	7039	74988	5752	6568	5057	11785	8151	3910	3967	1509	0	4039	7151	0	31639	8415	7523	13709	4844	8972	7996	8627	1787	11716	6292	6210	6924	1845	2473	13248	11711	0	2625	1973	4118	0	5706	4079	8283	11359	6494	3763	9913	87241	76638	6454	4267	4145	17519	2605	78694	4956	712118	11320	23595	7726	6092	2484	1772	4017	7515	22486	5191	9997	5115	2561	2167	8393	1223	5561	3096	4816	31722	568807	4210	7981	5571	5444	7361	5913	3222	0	2083	2770	8586	9877	20347	5880	23740	8093	4018	6413	3841	6505	40708	0	4036	12793	Lipid	0.30769232	1.7692307	0.07692308
4	C13 H23 O4 N1	258.16998	258.17044	0.08721771	258.17	62561	74033	65376	61322	46014	39084	40262	97085	34388	47104	19274	45554	81538	32728	127386	93763	29159	48341	64395	59808	49722	95022	51217	232252	123734	15401	39160	20898	82852	69327	101641	81999	311664	66916	82551	84706	275130	51625	37806	38294	23452	25746	1604	0	0	83381	28613	0	101685	80482	72834	56796	39382	561	44247	25768	14645	130047	17245	20209	103410	19660	57379	39606	28106	60021	37489	32102	24230	37687	24763	92043	77186	94475	39950	70793	0	158316	30521	18731	20213	21502	20333	16207	23295	19183	69099	22907	46698	42689	189249	146900	261242	23307	42824	497	59810	69723	23980	25924	22538	117983	65637	54699	20448	132900	23643	0	57460	76756	Lipid	0.30769232	1.7692307	0.07692308
6	C13 H23 O4 N1	258.16998	258.1704	0.093329504	258.17	39854	46154	38004	43316	38411	25548	96199	40411	22769	46209	21226	25626	33943	71235	37100	49210	21770	32122	41628	60212	62678	61778	37332	30344	33547	27842	73370	33814	41522	33164	40957	49487	135526	43491	54040	40680	134486	43944	28180	21648	19217	20150	726	311	0	26171	20526	0	47227	32559	41911	40074	28823	448	27732	11512	14388	70252	6345	9029	58680	16275	28156	20743	321680	34515	33556	32036	92953	79720	29085	37694	36614	46107	27181	32577	243	33570	22300	16862	16079	15593	11253	13902	12096	18567	60964	21108	23181	42238	82703	62325	104101	18191	25164	0	44431	38687	14143	12219	15181	114538	35786	45374	12730	80383	23021	0	28378	41746	Lipid	0.30769232	1.7692307	0.07692308
2	C13 H23 O4 N1	258.16998	258.17044	0.03724839	258.16998	187230	186730	165590	173611	73465	119447	581276	144496	54332	91212	727361	115438	102299	60017	171626	290634	525150	85258	81447	95885	100305	115146	89256	167833	247560	132882	696632	1101213	245912	113760	265234	260734	163453	103559	117464	224932	163018	196360	575380	68953	569740	55920	3164	0	0	83682	345231	0	334496	92434	164424	181542	67708	427	64290	70770	56723	381566	36677	187329	306406	155099	109347	56999	1975038	101072	66506	757982	1077425	116916	613942	129567	111761	108702	257182	206808	0	83036	91888	1091509	73645	677546	56263	67309	44826	46881	213532	91029	81521	424678	224213	220231	528710	259137	156349	764	169308	195865	153547	55277	60173	150818	89839	284130	138284	250432	49630	0	113311	110638	Lipid	0.30769232	1.7692307	0.07692308
6	C12 H23 O3 N3	258.1812	258.1816	0.15057509	258.18124	6161	7542	7280	6305	1743	8374	8765	19176	738	2013	0	4577	1494	1327	15148	16031	4204	1743	4477	3269	1904	2516	3801	7348	13729	446	9609	19143	13535	7309	9209	10535	15663	8278	3381	10906	14410	12054	6885	0	0	10061	0	0	0	0	0	0	9981	6195	7628	6439	4173	0	1149	0	9675	16067	0	0	12819	0	1900	1318	3892	3224	5719	6998	0	1724	0	3341	9145	6661	6554	7885	0	5339	2778	5752	2710	392	15126	0	670	8008	4970	7203	6942	6457	30590	2583	7069	1995	0	0	6435	6075	1072	0	558	12484	4958	3824	0	10836	1090	0	9910	1778	Peptide	0.25	1.9166666	0.25
2	C12 H23 O3 N3	258.1812	258.18167	0.019400638	258.1812	12438	9989	10580	10480	4398	0	11901	25508	2970	4994	2973	9907	4923	2201	11455	14065	15118	6441	6695	6914	5215	7580	7237	12622	11693	1336	7318	24847	23053	22276	23042	18035	23826	13449	6699	24125	21214	8760	14708	2547	2750	6903	0	0	0	4870	3884	0	17918	17037	9496	9846	4389	0	5024	1123	2942	15740	1213	1356	9661	1530	2891	2916	0	7974	7722	17891	1135	2428	2226	14916	43809	21028	18699	25707	0	12407	7268	44436	6276	2146	3049	2518	1383	3657	7489	7441	7734	11916	22907	13155	18064	2741	2882	0	10279	12175	1538	1112	1120	16962	9291	7407	2662	14406	1497	0	8563	5853	Peptide	0.25	1.9166666	0.25
0	C12 H23 O3 N3	258.1812	258.1817	4.37078E-4	258.1812	4242	4893	3960	3496	5110	0	3706	9685	4394	2401	1593	3947	4727	0	4229	3728	8750	10375	5929	1666	2591	5726	4162	5648	5029	0	1361	5940	20405	3175	8326	6167	15390	6366	3931	6702	5969	4917	9331	1242	1246	6464	0	0	0	1851	0	0	5189	4369	5021	3295	6499	0	2511	1178	2133	10788	1294	1553	5014	638	0	2179	2886	4732	7573	8328	372	0	0	5229	6372	5594	0	4605	0	4092	4805	6968	3240	604	0	0	2277	3135	6297	5921	3918	14286	17583	10569	11430	1577	0	0	4342	5158	2346	1043	2777	4900	3345	2420	889	8379	4727	0	5637	7726	Peptide	0.25	1.9166666	0.25
4	C12 H23 O3 N3	258.1812	258.18167	0.048229154	258.18124	6778	7096	6416	6802	7999	6346	6835	7638	3109	1990	1430	5085	13460	8189	6832	10633	11227	6439	5340	2777	3047	5444	4959	9953	11075	511	5690	6984	9099	6660	7423	12675	12118	8619	3944	12032	10792	6366	13668	2703	1915	5563	0	0	0	3462	2371	0	12988	6531	9227	7302	5257	0	4170	2626	2985	11361	710	440	9650	1317	5804	2524	14735	10390	5505	10394	0	2908	0	4691	8368	8005	11443	7940	0	5555	6133	20374	5565	1666	2475	2123	7670	42088	8536	6022	6903	6980	28038	8504	18343	2193	2180	0	7447	8265	2660	3010	12414	11060	5500	3711	0	8366	14182	0	7229	58320	Peptide	0.25	1.9166666	0.25
24	C17 H23 O1 N1	258.18524	258.18552	0.19490366	258.1853	1043	0	0	1078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1055	0	25706	0	1311	0	0	0	0	0	0	0	1154	0	0	0	1251	1179	0	0	0	0	10425	20471	0	0	0	0	0	0	0	0	0	0	1021	0	0	0	868	0	0	0	0	0	0	11346	5338	9313	805	914	0	0	0	0	0	0	1645	0	12407	886	1990	0	0	1331	0	0	12407	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8370	0	0	0	0	0	Lipid	0.05882353	1.3529412	0.05882353
8	C17 H23 O1 N1	258.18524	258.18564	0.12722498	258.18527	6093	7417	6891	5259	1562	8360	3432	13134	0	14768	11572	7742	0	1263	5054	9507	4998	0	1546	21416	22033	0	2987	10593	3885	9486	7052	11303	10768	13446	11812	14099	11207	14934	15504	12253	9640	6586	4436	3984	0	4540	0	0	0	0	2404	0	11771	11040	4679	5384	2864	0	0	0	13120	10438	0	0	11109	0	0	0	26623	0	7445	14031	3644	7308	10024	13007	14507	16599	14190	15427	0	6525	2180	0	3911	0	0	5284	0	0	2086	5467	6720	8591	0	0	11720	4099	12595	0	6876	5521	15356	0	0	9196	7627	1491	0	7856	0	0	2427	0	Lipid	0.05882353	1.3529412	0.05882353
6	C17 H23 O1 N1	258.18524	258.18567	0.11438929	258.18527	13422	13563	11939	9168	0	1186	7529	28026	0	14596	8573	10166	0	0	10856	28723	13330	1116	1662	20902	18446	2747	8832	28803	9808	4330	9835	8080	16915	21415	21602	28035	21609	21645	15026	20070	20213	10560	12911	8426	0	2658	0	0	0	5133	4348	0	29869	25016	10993	10986	1470	0	0	0	786	23927	0	0	23912	3286	0	0	1550	1432	2873	33778	2003	3546	3667	23407	20624	26951	22597	19502	0	11173	5390	0	8975	0	0	9022	0	0	4822	5178	4984	37433	10142	0	24430	5155	18207	0	10997	11708	0	0	0	20029	9893	4538	0	25743	0	0	6091	0	Lipid	0.05882353	1.3529412	0.05882353
4	C17 H23 O1 N1	258.18524	258.1857	0.04898473	258.18524	10971	11493	12407	10991	0	1678	6654	52869	0	6322	3309	8659	0	0	10237	38147	51594	316	963	12888	11557	573	5354	25787	19456	630	10665	4058	57030	20101	18593	52506	19170	52723	6546	47785	16490	7255	30818	4553	707	7346	0	0	0	2207	2767	0	80475	54684	11612	9651	3075	0	457	0	1713	20652	0	0	33840	1864	0	0	1385	0	5790	107443	0	1259	4150	22918	22657	17634	88325	25617	0	7538	5529	5285	6747	0	0	5984	0	829	3379	9071	9802	10406	4553	0	32678	2868	9366	0	11426	15158	0	0	0	24009	5711	5714	0	19529	0	0	8057	0	Lipid	0.05882353	1.3529412	0.05882353
24	C14 H27 O3 N1	258.20636	258.2067	0.18019788	258.20642	49231	29440	30654	82666	27406	38122	51377	58446	20621	33128	34036	19041	99006	51462	106093	30224	6099	30768	45093	40137	80200	16795	41756	32701	0	13156	49518	99919	74393	48490	29673	62828	119737	29952	26322	119492	101536	33752	4960	433558	1255585	433002	66941	0	51515	127801	37507	30582	34273	40534	41787	45956	16344	71136	97821	32280	22004	31624	32588	8167	84764	72736	44810	45766	58840	24185	62862	5380	16163	11857	22989	48367	19440	73064	23075	25948	58002	23434	29918	42530	22535	63231	49536	73301	80258	119198	39028	23341	45082	6139	46100	64577	118810	29287	87582	17416	64757	74047	36965	11783	166943	165264	32499	168551	49909	105404	98579	36457	25654	22875	Lipid	0.21428572	1.9285715	0.071428575
10	C14 H27 O3 N1	258.20636	258.2067	0.16695495	258.20642	3299	2444	4532	2967	1255	0	2099	4307	0	3614	2244	1048	0	1659	932	0	0	0	1503	0	1439	0	0	0	1246	0	2126	4524	4844	17923	6806	7141	43041	5464	1971	4412	50793	0	0	0	0	1691	0	0	0	0	0	0	5677	1835	2343	2816	1410	0	0	636	0	2117	0	0	0	0	993	0	1104	1864	1147	0	0	1451	0	9119	28193	9464	0	25516	0	2389	0	0	0	0	0	0	0	755	1925	0	1355	0	6278	0	0	0	0	0	2764	2861	0	0	0	25614	2196	0	0	1473	803	0	0	0	Lipid	0.21428572	1.9285715	0.071428575
18	C14 H27 O3 N1	258.20636	258.20667	0.23466916	258.20642	0	0	2090	0	0	0	11052	0	0	0	0	0	0	2218	0	0	0	0	0	0	0	0	0	0	0	3165	12915	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1356	0	448	0	0	0	1833	2614	0	0	0	1745	0	0	0	0	0	0	0	0	1772	0	1903	0	0	0	0	0	0	0	0	0	2143	0	353	0	0	1554	0	0	2062	47561	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21428572	1.9285715	0.071428575
26	C14 H27 O3 N1	258.20636	258.20648	0.072486505	258.2064	0	0	0	2722	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3183	0	0	0	0	2612	0	1979	0	1488	0	0	0	0	5933	0	0	0	0	0	0	0	0	2052	0	0	0	0	0	0	0	0	0	0	0	5486	0	0	1408	0	0	0	0	0	0	0	0	0	0	0	0	0	5120	0	0	197415	0	0	0	0	0	2610	0	1740	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1530	0	0	0	0	Lipid	0.21428572	1.9285715	0.071428575
20	C14 H27 O3 N1	258.20636	258.20667	0.20650873	258.20642	5604	9046	7765	9235	8323	6666	10530	8197	0	4455	6343	1615	3838	21450	0	10168	29018	0	0	0	1918	4990	0	0	2581	2656	17322	4389	9161	4316	4967	14564	24580	3048	5535	4623	6981	1978	44906	3736	22884	111428	18196	3811	5082	7202	16466	6181	7906	8296	8387	9092	3489	15742	1985	1173	3327	9882	0	32547	5921	0	0	2576	7249	9866	8477	64653	0	3015	18354	7796	4373	2565	17446	11056	6481	1362	1890	16651	1631	0	5084	11648	2444	8213	2205	10896	8781	30485	6123	4369	5674	1570	3790	5986	6114	5438	5099	2299	6993	12540	4103	13624	1882	16389	2730	6233	1629	6379	Lipid	0.21428572	1.9285715	0.071428575
6	C14 H27 O3 N1	258.20636	258.2068	0.12864093	258.2064	6572	7882	6281	6672	8526	4985	4270	8557	5085	4481	1475	2879	9229	8250	7359	10820	2624	6461	9073	2897	3154	6541	2728	4727	5136	0	10764	2137	7351	10261	7904	7643	34453	7647	4650	8635	45026	3916	6557	0	820	4075	0	0	0	2895	0	0	9120	5287	7381	6369	7441	0	4898	1737	1772	11924	0	0	7812	0	4651	2900	2780	8384	8076	5876	0	1917	0	7553	13363	11857	2570	11235	0	4373	3296	0	1462	423	0	2590	3374	2874	9602	4477	5295	16221	8770	3890	16123	963	1978	0	7268	4530	2482	2719	2897	23334	3187	2225	0	8919	4612	0	3226	9425	Lipid	0.21428572	1.9285715	0.071428575
0	C13 H27 O2 N3	258.2176	258.21786	-0.40962344	258.2175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5011	0	0	0	0	0	1166	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1027	0	0	0	0	0	0	0	0	0	0	0	0	0	823	0	0	0	0	0	0	0	0	0	7875	0	0	20974	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.15384616	2.0769231	0.23076923
24	C15 H31 O2 N1	258.24277	258.2427	0.22848953	258.24283	0	0	0	1122	823	0	11672	0	0	0	3158	0	0	875	0	0	0	0	0	0	0	0	0	0	0	0	14321	8491	0	0	0	0	0	0	0	0	0	0	0	0	0	2355	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1349	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1293	0	0	1437	26096	0	0	0	0	0	0	32449	14648	0	0	0	0	0	0	962	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13333334	2.0666666	0.06666667
14	C15 H31 O2 N1	258.24277	258.2426	-0.03913073	258.24274	0	0	0	0	0	0	5208	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5281	6422	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	62912	0	0	0	0	0	0	4883	0	0	0	0	0	0	0	1326	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13333334	2.0666666	0.06666667
20	C16 H35 O1 N1	258.27914	258.27957	0.18482043	258.27917	0	0	0	0	0	0	0	0	0	0	0	2059	0	0	2287	1917	0	0	0	0	0	0	0	0	1454	7574	1736	1838	0	0	0	0	0	1419	0	0	0	0	0	0	0	1571	3278	5369	4014	1539	0	3778	0	0	0	0	0	4623	0	1610	0	0	1817	0	0	1146	0	0	0	0	0	0	0	0	1732	0	2334	0	0	0	4911	1173	0	1884	0	0	0	165883	0	1450	0	0	0	0	0	0	0	1470	0	3096	0	0	0	0	0	0	0	2923	1242	0	0	5887	1422	0	Lipid	0.0625	2.1875	0.0625
14	C11 H14 O5 S1	259.06348	259.06384	0.23971362	259.06354	4567	7448	3141	5236	17933	10907	0	1767	9801	5475	6132	1276	23306	9844	2809	3825	10522	20596	10717	3917	2693	5738	0	0	4288	0	1193	0	2290	1872	3175	0	3932	3125	8691	2854	4166	2428	9815	5210	5080	3896	0	0	0	4777	4402	0	2952	0	3704	5585	11097	0	10726	6023	2835	5468	0	6446	0	2517	6041	3833	3759	10579	6916	6180	0	0	0	1624	3054	1206	0	0	0	1774	0	0	1348	5732	2856	1626	4866	3927	2932	3915	6536	4334	23385	22659	2431	6004	8900	0	4138	3432	6196	8525	7061	2638	2005	6960	0	4971	9073	0	3495	12962	Organosulfur	0.45454547	1.2727273	0.0
12	C11 H14 O5 S1	259.06348	259.06384	0.21066487	259.06354	5709	7035	4653	6541	16005	11752	0	2412	9979	5847	4834	0	12354	7026	3030	6837	3568	19277	17546	7012	7915	12569	3010	0	2600	0	2276	0	1897	1850	1434	2388	4925	2767	11261	0	3647	3450	4936	8015	4126	4779	0	0	0	6953	7566	0	4080	2804	7072	7650	12303	0	9220	6766	2685	7777	4822	0	0	3169	3016	6849	2776	10041	6553	0	0	1640	0	1643	1925	0	2376	1910	0	1559	2325	0	1194	4007	5866	3046	9062	5581	4856	6087	5692	0	26304	25161	6257	9808	18716	0	7776	6597	6903	10934	7937	5073	1617	5730	0	4186	14207	0	2811	15400	Organosulfur	0.45454547	1.2727273	0.0
16	C13 H10 O4 N2	259.07132	259.0717	0.23071136	259.07138	4268	5644	6459	5300	6644	3457	8684	2620	2849	6862	4869	6065	3566	3258	5358	7614	13571	2827	3782	2975	2935	8323	5908	6185	5076	2248	5435	3508	4529	2611	2504	4346	10556	1931	3174	3969	6363	5876	16332	7329	14032	3807	543	475	420	3778	7620	1006	7631	4361	6449	5265	4798	515	4357	3211	3294	7615	1573	8186	0	3313	3502	3040	2985	3698	4298	19407	2875	2795	5003	3182	3043	2604	8073	3950	398	2461	9371	8446	9268	4318	1467	3620	4390	3508	10700	8169	4319	31325	5602	5356	0	6875	10730	651	6628	4530	2093	3475	2759	9333	3609	5968	0	0	2256	431	11240	3888	Unclassified	0.30769232	0.7692308	0.15384616
0	C8 H15 O4 N2 S1 Na1	259.0723	259.07272	0.22361057	259.07236	0	0	0	0	0	0	0	0	1499	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1783	0	0	9875	2284	0	0	0	2520	0	0	0	0	1352	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1042	0	0	0	0	0	0	0	0	0	866	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20469	0	0	0	0	0	0	0	0	0	0	13452	7309	0	3666	0	0	0	0	372	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.875	0.25
4	C10 H14 O4 N2 S1	259.0747	259.0752	0.19107892	259.07477	15061	17309	15440	17047	14388	20141	4867	11852	20559	2932	2955	12346	15577	10302	7961	18934	34794	25597	30909	3618	4118	17599	16844	20265	7075	247	4413	0	12277	8514	12204	18200	43921	18764	4369	13040	35471	8549	49386	2125	5210	16765	0	0	0	6128	5779	0	17226	10136	14673	11286	17674	0	16560	9460	11698	30891	4340	5868	20668	2919	17596	14234	12467	46882	18658	46316	0	0	0	10651	12987	7615	5600	11376	0	10462	9263	0	9655	2935	2403	467	16047	15073	9511	35826	31671	24353	3534	7429	32682	3501	2301	0	14710	16657	18328	16484	13187	38740	13580	5332	3432	28354	11145	0	9180	20601	Peptide	0.4	1.4	0.2
0	C15 H14 O2 S1	259.07874	259.07922	0.5547356	259.07886	2174	2716	1977	2265	938	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3003	0	0	0	0	0	2058	0	2240	0	11797	0	1961	1297	0	0	0	0	0	0	0	0	0	0	0	2892	0	1966	2934	0	0	0	0	0	0	0	0	4414	0	0	0	0	0	0	0	0	0	0	21328	7706	2788	0	0	0	0	0	0	0	0	0	0	0	0	0	11232	1331	0	0	0	0	0	0	0	0	2587	0	0	0	0	0	1757	0	0	0	0	0	0	Organosulfur	0.13333334	0.93333334	0.0
16	C11 H14 O7	259.08124	259.0816	0.23389776	259.0813	10915	14264	9948	7497	30045	11702	5532	9687	23192	2532	4323	4629	36084	10090	11631	7312	10946	25130	18139	4955	6439	11528	8253	8112	8588	1345	7289	2428	7113	9081	8119	7535	12916	6940	5874	5605	12220	5880	8144	4254	2781	10663	1782	1846	3006	3731	3217	3305	9341	5901	8017	6477	13822	2052	31156	15370	7724	7798	5149	3803	0	3855	26073	21339	5953	20464	13685	9019	0	0	2864	4927	9554	7896	6657	8674	2151	5423	9144	4549	6187	4234	3728	0	15780	10099	7102	9531	13437	0	4647	8621	0	4134	4128	2866	7499	8196	14130	13109	19102	12085	8926	5203	5203	0	13865	2002	6631	28522	Phytochemical	0.6363636	1.2727273	0.0
0	C10 H14 O6 N2	259.09247	259.09296	0.04493563	259.09247	6233	6051	6760	5224	10078	14669	0	11638	6127	1472	0	2051	15215	5490	1571	0	1126	15521	15084	2671	3940	9755	4335	9173	3496	0	0	1531	15510	4087	9842	9880	20637	13123	3597	9831	11900	1527	2189	1566	0	14598	0	0	0	3674	0	0	13420	6398	6847	5420	13007	331	7613	2367	2038	17002	1028	641	2817	0	19709	7517	4426	11648	20778	2171	0	0	0	8419	14821	6887	0	8105	0	2834	1932	1521	1657	0	0	0	1924	0	2332	7591	17338	3437	50712	11485	8466	0	0	0	7397	5006	1687	1588	1275	9775	2392	2206	0	15242	2071	0	1928	30031	Peptide	0.6	1.4	0.2
14	C10 H14 O6 N2	259.09247	259.09302	0.43715045	259.0926	0	1563	0	0	0	0	0	0	0	0	0	1318	1461	0	1478	0	0	0	2668	0	0	0	1283	0	1866	0	0	33696	0	0	1287	0	0	0	0	0	0	0	1537	0	0	0	0	0	346	0	0	0	0	0	0	0	0	320	0	0	0	0	0	0	0	0	0	0	0	1907	0	1732	0	0	0	0	1217	0	0	1045	0	0	0	0	0	0	0	0	0	0	0	0	1612	0	4903	2656	0	0	0	0	0	0	0	0	0	3600	0	0	0	2109	0	0	1524	0	Peptide	0.6	1.4	0.2
16	C10 H14 O6 N2	259.09247	259.09277	0.32852715	259.09256	0	0	0	0	0	0	0	2354	0	0	2028	0	0	0	0	0	0	0	0	0	0	0	1214	1843	0	0	0	39757	1649	0	0	0	0	1469	0	0	0	0	1837	0	0	0	281	0	481	0	0	371	1652	1339	0	0	0	0	0	0	0	2650	0	0	0	0	0	0	0	0	0	2190	0	0	0	0	0	0	1980	1225	0	0	0	0	0	0	0	0	0	0	0	0	1547	0	3902	0	0	0	0	0	0	0	0	0	0	0	1112	0	0	0	0	0	0	0	Peptide	0.6	1.4	0.2
16	C12 H18 O4 S1	259.09985	259.10016	0.15067738	259.09988	1783	3187	3156	4377	9256	7603	3621	1937	2302	1626	1570	0	2948	4427	3198	3486	1576	10766	5528	4469	0	2904	1995	2020	7318	0	3249	0	3894	0	1948	3773	5260	6264	2732	3517	4892	1898	4455	0	1776	3914	0	0	0	2916	3883	0	3819	1311	4995	4110	7442	0	0	0	2891	12307	4827	3917	0	0	3067	2649	2577	10501	6150	3903	0	0	0	2190	3293	0	0	1555	0	0	1439	5370	1345	3444	2658	1689	1763	4095	4295	3769	4622	0	24646	19599	0	2757	4986	0	4463	4185	3770	2776	3737	3969	1525	5394	0	0	3271	0	3368	4317	Organosulfur	0.33333334	1.5	0.0
8	C14 H14 O3 N2	259.10773	259.10812	0.14294699	259.10776	40036	43288	30511	39083	18944	23401	27823	40470	18855	62204	56971	28412	14880	16008	30179	59215	59901	27184	34584	61341	67703	61982	32595	56016	32090	49773	35090	51471	30398	29063	31215	36142	47438	37616	70855	32849	51036	31463	66899	53920	72970	27988	1781	628	648	32804	48872	997	45774	31031	45082	40634	26237	838	21040	10285	18026	47087	11485	30094	46779	28976	25771	20893	14064	22582	25539	65861	44321	60814	74833	36539	28681	22550	34202	31847	932	24332	52623	48044	34282	24056	21761	36982	16090	17686	46444	35354	29176	108924	39791	36515	87199	49834	73959	889	39202	43685	16426	13723	13312	45128	24333	33181	9566	50704	12505	816	34955	22619	Peptide	0.21428572	1.0	0.14285715
14	C14 H14 O3 N2	259.10773	259.1081	0.17341726	259.10776	48371	53072	49277	47536	18893	21981	66959	49092	16545	30424	32368	38761	11912	17982	37495	79135	111086	28625	27125	27053	35311	62872	45382	70198	47844	28525	63706	39280	41341	42179	45049	50588	77661	46590	33656	37534	76989	43843	116966	42597	54892	37563	0	1532	1236	33619	34324	1904	67035	34146	44587	43237	30622	1561	11009	5646	30081	79416	19589	28052	58857	24000	13557	18322	18989	25875	34602	140907	25290	41986	60700	39554	34536	24789	61959	37059	681	29530	80768	46548	61307	22822	28674	25117	14074	22379	99064	67330	45441	193828	41046	41420	118911	34969	44572	1747	52668	45172	17652	14782	11578	58183	35714	30587	0	78579	10459	1902	74349	25230	Peptide	0.21428572	1.0	0.14285715
26	C17 H15 O1 Na1	259.10934	259.1096	0.20376728	259.10938	2313	2977	0	0	11254	0	0	0	0	0	0	0	6181	0	0	0	0	0	0	0	0	17177	0	0	0	0	0	0	0	0	0	0	14351	0	6343	0	0	0	2936	0	15923	0	0	0	0	0	0	0	0	0	0	2462	3289	0	0	0	0	0	0	0	0	0	10807	0	0	41142	0	16358	0	0	9156	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12927	0	20782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14759	Phytochemical	0.05882353	0.88235295	0.0
22	C17 H15 O1 Na1	259.10934	259.10983	0.79166687	259.10953	0	0	0	0	1478	2679	0	0	0	0	0	0	0	0	0	1615	1813	0	0	0	0	0	1215	0	0	0	0	0	1632	0	0	0	0	22073	0	0	1876	0	2424	0	0	0	0	0	0	0	1207	0	1402	0	0	0	1294	3442	0	0	0	0	0	1570	1803	0	0	0	0	7912	1542	3267	0	0	0	12902	5529	2786	0	1518	0	1271	0	0	0	0	0	0	0	0	0	19135	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.05882353	0.88235295	0.0
20	C12 H18 O6	259.1176	259.11795	0.21941978	259.11768	5247	6164	5031	6815	6579	7497	6261	8835	7257	2024	0	4491	7315	5693	6030	4827	1523	5927	6048	2234	0	3133	5152	4004	8019	1366	6408	25144	8109	5321	5347	6807	9096	7575	3966	5501	8845	5918	6667	1416	1589	4253	3024	3311	3746	4089	3812	4291	8394	3745	5142	8883	5689	3203	12470	7586	4375	7581	3788	2114	7711	2634	8104	7652	4043	4807	6250	5895	1934	2456	2099	5692	6724	6709	7196	5612	2841	6449	7571	2293	5820	2119	9125	0	5786	8971	5073	5259	4634	7247	4293	6974	6019	1422	0	3520	5988	5426	4646	5673	7182	9506	5888	4851	2287	6090	5275	3806	4323	8408	Lipid	0.5	1.5	0.0
4	C12 H18 O6	259.1176	259.1181	0.073632315	259.11765	17818	11893	10476	21116	25290	16366	8011	13527	29378	4473	6833	17812	37278	11588	15160	24914	33798	36192	28410	6798	7237	10803	14650	10942	6493	1815	8074	5206	12958	13494	10586	10621	13400	9767	8322	12875	26762	15380	38514	5675	4975	23324	2334	1072	1504	7620	8336	1640	16164	14857	24192	9239	24004	1057	18388	29972	16488	25074	15514	18086	13494	2797	33210	26230	11267	29726	19828	29952	2851	4565	2463	10383	21948	28662	7429	26672	828	20604	8831	0	16720	5771	20906	6052	34294	19780	8941	18874	20414	22368	5617	5831	20696	4402	4660	2928	9447	24012	10949	41750	48538	26570	17830	11310	4879	17858	32720	1004	12470	34432	Lipid	0.5	1.5	0.0
8	C12 H18 O6	259.1176	259.118	0.084782586	259.11765	63974	65647	46666	63070	77321	59617	58550	57335	168138	31322	23469	53622	117249	67661	45016	68819	118792	104447	120704	49598	38319	42414	40153	40154	32637	12547	46359	31537	115939	100711	72316	84794	84168	78738	40267	85404	85293	38151	67382	19799	20334	71203	5144	1131	1851	29361	32576	1375	111729	57927	60503	63685	140280	2507	121232	69250	56744	72065	40140	29002	59327	12973	86362	84741	80109	88937	71844	58114	12740	15932	13109	65029	80902	73201	48123	80997	1226	55318	40788	33400	27987	27200	81362	47728	79553	55775	50669	49791	72191	108222	41657	52545	53700	23552	30775	2944	65490	69270	55925	86296	100626	96759	62527	77193	13036	39147	81540	1348	29535	195096	Lipid	0.5	1.5	0.0
10	C12 H18 O6	259.1176	259.118	0.10741442	259.11765	83962	78020	79903	75223	117585	103874	96493	93215	111393	42613	38103	55886	166411	112484	81328	92304	85758	191120	159145	75047	52671	43334	63879	54122	66303	24365	80562	53057	141350	107487	80441	124697	146612	127137	56276	128401	140515	64268	87507	24042	23724	99900	15021	3326	4126	42063	33274	4021	120179	78290	84257	83870	102959	4875	159655	90818	53214	123008	54967	38474	109733	16017	126359	110477	87186	152370	110391	80619	16910	24589	21696	91804	113044	130230	87499	103298	2387	62655	58199	49113	41808	35427	116639	66067	122980	93131	78226	72518	100498	55113	149956	72378	67602	30018	38580	6934	87528	103088	80743	111123	135723	138642	60211	82715	23675	64933	115627	4091	56950	152154	Lipid	0.5	1.5	0.0
6	C12 H18 O6	259.1176	259.11804	0.11415297	259.11765	71032	66090	59822	68006	39770	66258	65880	81086	76944	19440	18639	77558	101874	57744	61668	86382	80200	124122	109054	22080	25920	20619	48678	30893	16467	6239	50780	15414	57282	64348	83674	94578	97218	80022	18275	55196	95838	44102	88598	11405	10973	73080	3949	834	1230	23115	19365	903	60008	47203	71620	66186	71714	1757	107252	77674	49220	84244	19756	41154	78966	6790	94870	33524	57810	79908	73002	91954	6798	7077	8378	58738	79178	50699	34330	44406	893	60562	21354	13734	16759	13255	35060	18394	87532	29609	54066	47486	73398	60496	14797	21355	63850	11938	12320	1422	29858	79502	49378	45014	120112	111800	58686	39432	11159	55942	87624	826	14399	109734	Lipid	0.5	1.5	0.0
18	C12 H18 O6	259.1176	259.11795	0.18573152	259.11768	14370	13931	15144	13718	29451	19973	19717	14895	19668	6614	5830	11532	29172	25631	17583	15153	12671	28332	24418	7768	2398	4881	13019	10422	13940	0	18024	82294	25304	19707	18761	25555	27730	17488	5668	19774	29429	14457	10602	2018	1878	16041	7079	3126	4067	3545	2646	4181	20261	13310	11272	19832	22372	3669	36609	16933	13633	15023	9018	6247	20294	1922	23651	18989	14867	29087	22548	14075	1285	1777	1577	17202	20385	29849	10505	19444	3688	12972	7676	7645	10331	3893	15110	6831	20881	18459	15003	16047	21524	6485	13643	20891	12522	3723	0	4028	13561	17191	13347	18331	24017	21708	13047	7124	4756	10910	17115	3668	12724	24833	Lipid	0.5	1.5	0.0
12	C11 H18 O5 N2	259.12885	259.12924	0.2796678	259.1289	5988	5201	9224	9208	6128	7890	4839	7765	5740	2513	5827	3967	4822	4793	5654	10739	8215	6207	7007	0	2444	5819	4951	10409	8298	0	4561	44807	11456	4778	6737	7911	9846	8231	2269	6842	9235	3228	8286	1612	0	7378	455	0	361	3206	0	0	6995	7099	5887	6524	7323	476	7388	3642	4588	9535	0	0	19145	0	5380	3229	2650	8096	6246	9699	0	0	0	8653	6636	4534	3688	6274	251	5964	4789	15265	3268	2178	3355	0	4878	2908	6893	3906	4727	13651	94808	57630	11767	5812	5062	605	9963	10244	5477	1991	1959	5877	5852	5635	0	6116	5275	0	4462	8339	Peptide	0.45454547	1.6363636	0.18181819
22	C11 H18 O5 N2	259.12885	259.12915	0.3410995	259.12894	0	0	0	0	0	0	0	1253	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2358	0	0	0	0	0	0	0	0	0	0	1288	0	0	0	0	0	1010	0	0	0	0	0	0	0	0	882	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	718	967	0	1710	0	0	0	0	0	0	0	0	0	0	20822	4230	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.6363636	0.18181819
16	C11 H18 O5 N2	259.12885	259.12915	0.35542446	259.12894	0	0	1402	0	1235	1492	0	0	0	0	0	1814	0	0	0	0	0	0	0	0	0	0	0	8140	0	0	1197	16113	2607	1363	1159	0	2428	0	0	1903	0	1457	0	0	0	0	362	556	477	1508	0	447	1506	0	2869	0	0	454	0	0	0	7605	0	0	0	0	0	0	0	0	0	2237	0	0	0	0	1639	0	0	0	340	0	1705	4947	0	0	0	0	0	1246	0	1663	1141	0	42662	19217	0	0	0	547	2616	0	1164	0	0	0	1723	0	0	0	0	536	1403	0	Peptide	0.45454547	1.6363636	0.18181819
0	C11 H18 O5 N2	259.12885	259.12936	0.013302116	259.12885	110720	101053	109253	93322	97950	6648710	9481	83443	266104	20954	8227	21410	141771	58699	39762	18330	18006	146228	128350	20095	33966	79999	53696	60599	269866	799	1775	27903	175098	26417	98823	66384	267763	84270	52956	74745	93087	26457	25247	18726	3895	383851	1988	405	389	28622	3189	483	87181	32530	93100	88865	101835	1896	60942	26886	14996	135371	16183	6928	29323	2774	132364	64547	28452	100874	134352	22696	1228	16141	2982	72332	81999	51577	3298	65815	0	58453	17496	23779	16836	4428	5310	1963	22441	19113	20206	61789	104652	25209	680918	358080	103509	11112	3776	1163	98496	103594	37075	21486	18552	104920	27459	26012	3845	111369	36034	0	15135	209907	Peptide	0.45454547	1.6363636	0.18181819
18	C11 H18 O5 N2	259.12885	259.1292	0.32956132	259.12894	0	0	0	0	0	0	0	0	0	0	0	0	1403	0	1609	0	0	0	0	0	0	0	0	1253	0	0	0	16758	0	0	0	0	0	0	0	0	0	0	1426	0	0	0	402	469	523	0	0	529	0	0	0	0	0	518	1688	0	0	0	0	0	1696	0	0	0	0	0	0	0	0	0	0	1276	0	0	1337	0	349	0	0	4174	0	0	0	0	0	1329	0	0	0	0	35877	12146	0	0	0	553	0	0	0	0	0	0	0	0	0	1732	0	437	0	0	Peptide	0.45454547	1.6363636	0.18181819
20	C11 H18 O5 N2	259.12885	259.1292	0.28959325	259.12894	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1807	0	0	0	11619	1633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	511	0	0	811	0	0	0	0	0	589	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1684	0	0	0	434	0	0	2160	0	0	0	0	0	0	0	0	0	0	31823	12678	1924	0	0	636	0	0	0	0	0	0	0	0	0	0	0	955	0	0	Peptide	0.45454547	1.6363636	0.18181819
4	C11 H18 O5 N2	259.12885	259.12933	0.15248679	259.12888	66215	73011	67415	73049	40198	41174	25825	35426	44149	38794	62221	28743	48893	20229	32219	52220	73853	65495	53154	13622	13273	58129	33846	55818	25269	1638	28467	98613	30727	27637	30593	35614	53391	34429	23345	34570	57215	34576	94830	8079	12943	35643	2447	0	274	21253	18101	430	40710	33080	68017	60974	42851	403	52046	29702	29191	51264	23052	25359	51547	5411	48445	38857	27481	55372	28521	75007	3565	6919	4796	35492	32216	31528	24939	28047	334	24458	38681	139001	32045	19111	18174	4669	41886	40278	44149	48400	42400	104146	1496394	623825	84741	56537	126391	1216	66048	70518	34142	41090	47520	50901	29181	24207	12847	49265	44677	355	34803	87374	Peptide	0.45454547	1.6363636	0.18181819
14	C11 H18 O5 N2	259.12885	259.12927	0.36012644	259.12894	3137	2774	2393	4629	0	1904	2962	4568	1773	0	0	1188	2699	1366	2225	3839	2746	1417	2175	0	0	0	2434	5612	3250	0	2008	18358	2792	3570	5721	0	2400	2646	0	3237	1707	2084	3013	0	0	1960	0	339	466	0	0	486	3749	2491	1572	2233	0	470	0	1963	2581	4225	0	0	0	0	1463	0	1057	1631	1596	3806	0	0	0	4328	3496	4240	1265	3172	306	1565	1534	0	1324	1119	0	0	1240	0	4944	2701	3339	3850	61657	28003	4171	2661	1441	0	0	3174	2108	0	1332	3475	4325	0	0	3915	1079	0	4114	1498	Peptide	0.45454547	1.6363636	0.18181819
10	C16 H18 O3	259.13287	259.13324	0.086481296	259.1329	153212	140095	114725	118898	78341	70270	120907	168713	91836	111667	84774	120531	82881	65593	115610	181193	161903	93496	116382	150795	142392	156530	128155	187329	118314	176414	142093	86904	134087	144862	130869	144993	159196	106604	128045	141528	128549	110520	206917	133757	144930	90647	22427	15684	17820	120678	133786	22632	146241	142555	142147	142239	84089	15370	119503	97897	72683	189692	114522	149748	152862	74463	83913	83175	59392	84839	69192	189960	165041	173300	197189	110846	116759	140696	151593	138486	14960	89847	171061	82179	156930	127164	155783	91712	115303	81892	168734	74095	94961	204117	131609	121891	185400	102196	128464	20891	141197	142859	87832	120528	122077	134796	118245	153000	98738	131766	84455	16510	129988	88368	Phytochemical	0.1875	1.125	0.0
8	C16 H18 O3	259.13287	259.13327	0.094792955	259.1329	72321	69211	43984	68063	36695	35563	57487	70386	47093	49287	45592	54362	37088	31010	56539	74563	79213	39170	58331	75504	61891	74036	66726	77505	50894	62557	57197	37285	66887	63613	54508	66565	59894	52319	70555	65409	62903	55675	82822	59433	66417	45090	16441	12325	17001	70246	72968	16835	70292	68325	61147	62009	43128	11355	57458	41937	44989	73235	55098	65557	71003	38544	42060	41016	31733	36421	30997	82615	61055	63827	92032	57232	58794	57730	54424	83698	12656	45835	86753	41614	75827	66962	74774	43369	40934	35621	71732	34124	49303	103613	53451	60521	89371	46689	58815	15459	58441	67226	52571	54800	57793	66877	61614	72076	37803	57366	41065	11761	65886	37089	Phytochemical	0.1875	1.125	0.0
0	C10 H18 O4 N4	259.14008	259.1405	-0.11350554	259.14005	2439	0	2923	2861	2135	0	0	2984	2207	0	1615	0	1730	0	0	0	2830	3587	2712	0	0	0	2417	0	2890	0	0	15788	4583	0	3556	2372	7247	2585	1089	0	4252	1444	3182	0	0	2901	0	0	0	0	0	0	3369	0	0	2652	2955	0	1800	723	1626	5706	473	0	0	0	3484	0	2604	1705	3347	3849	0	0	0	2767	5019	3113	0	2519	0	2027	1312	48514	1233	0	0	0	1573	0	1418	2907	3035	6615	13648	3503	3798	5480	0	0	0	2825	1326	658	0	2092	2554	0	0	4817	1895	0	1581	5211	Peptide	0.4	1.8	0.4
0	C15 H18 O2 N2	259.1441	259.1446	-0.09908266	259.14407	7072	9616	8165	8458	953	0	9868	13433	1002	6922	5537	11411	0	0	11099	7675	18638	2804	3486	10174	12185	7715	10070	13207	5398	3878	4974	8365	11657	10749	14004	16008	14252	14810	9399	15054	13402	10908	19013	10047	10646	11211	0	0	0	5640	4888	0	13652	15104	9133	8880	2209	0	1814	0	2433	13932	1752	5022	8851	5301	0	1249	4713	1886	4545	20286	2089	3104	4045	12288	22476	17103	6891	15987	0	10254	8625	7202	11038	2111	6286	7139	684	2657	8574	7387	4523	13462	7342	7153	16443	6644	5924	0	7813	10405	886	0	0	9007	8468	12269	3507	12750	0	0	9623	0	Peptide	0.13333334	1.2	0.13333334
10	C15 H18 O2 N2	259.1441	259.1445	0.09478144	259.14413	29535	22320	31289	23379	12279	14234	17115	43678	6964	43593	36465	24185	3727	11365	20454	66844	33388	7940	13284	50517	53162	18159	18867	64118	27498	36745	25273	49794	32223	34897	32415	34744	40338	38429	38987	32356	40376	20301	37756	30618	31990	20867	0	0	0	23228	30471	0	40289	44952	26648	28981	15431	0	6303	2741	7389	43648	2591	9930	48031	11266	3124	6281	6999	10075	16766	71293	22945	35363	52863	38179	26354	18496	30464	27630	0	19885	23759	26370	21630	5879	3031	24581	5142	4237	23613	22862	19596	90527	34404	5536	73326	22268	50114	0	26260	27456	8714	2866	4480	33772	18873	17408	0	50706	7525	0	23469	4774	Peptide	0.13333334	1.2	0.13333334
12	C15 H18 O2 N2	259.1441	259.14447	0.0904609	259.14413	28760	30959	33983	32937	8324	12504	31825	51296	7304	25614	29128	24604	1967	9078	28176	77375	71248	10362	17546	35483	34233	24640	27023	74159	45693	36567	47421	28955	35853	36998	37290	44214	58102	34509	28042	38761	52885	31647	81200	32828	37518	25376	341	0	0	27649	30647	0	49769	41089	34706	36696	16694	0	7373	1986	12711	61164	5198	17495	35628	10398	3391	7494	13845	6378	19331	86365	20914	32756	51817	31768	27044	27952	57519	35245	0	25601	44006	15215	41324	12599	11456	26145	3501	11435	61928	33390	29959	129910	23852	11508	90505	25231	36303	0	29221	36931	4831	2863	3360	60517	25812	16902	0	70833	3136	0	46592	2839	Peptide	0.13333334	1.2	0.13333334
18	C15 H18 O2 N2	259.1441	259.1444	0.13027392	259.14413	14107	8487	9409	6591	2495	4226	13498	10026	2226	2384	7360	11667	0	3429	10279	22993	24875	2679	2628	7731	5374	7842	7909	17170	14330	10597	12707	13153	10758	11277	11081	9069	15293	13555	6844	10046	14581	10849	30099	7869	15479	9106	0	0	0	7822	6719	431	15596	10529	6211	7605	2334	0	0	1801	4125	16603	2861	10426	10285	6248	0	2658	4928	3919	6312	29168	11418	8408	19050	10782	8365	7602	21279	8433	0	8966	21377	16473	12846	4944	4110	6872	3041	5353	17778	10121	6634	55611	10673	11351	21290	10749	7833	0	11716	7259	3553	2214	0	17082	9678	7330	2282	16387	2109	0	20774	2095	Peptide	0.13333334	1.2	0.13333334
4	C15 H18 O2 N2	259.1441	259.1446	0.08620626	259.14413	14510	14871	14070	14458	4273	8183	10550	26268	3198	22372	14094	14420	2316	6138	12798	31735	21921	6985	8353	25480	26041	11971	17229	30907	21853	25021	12595	18154	23152	17978	20215	20916	26784	19976	22728	22780	25688	12665	25831	14754	13967	9345	0	0	0	12364	13729	0	29922	23232	17397	12328	8909	0	3699	1120	5020	25139	854	4129	30446	8311	3017	4854	4356	4372	9870	24576	14485	23714	20118	22440	18818	20255	26222	19452	0	15855	14174	19607	13566	3311	3329	15330	2632	3763	13967	11382	13514	28236	17030	4212	53577	12457	24730	0	14675	16707	2513	1022	2093	24833	10696	12801	6857	30190	1686	0	14022	2687	Peptide	0.13333334	1.2	0.13333334
8	C15 H18 O2 N2	259.1441	259.1445	0.10082815	259.14413	28239	29982	27996	32820	9128	14896	16222	48638	5175	53049	44050	20055	2819	10542	22682	51969	43106	11375	14061	71150	59656	23319	20416	62114	36640	40689	25332	58871	41302	35569	37683	46593	42429	43453	57107	40371	59073	21826	42743	35243	22889	27448	865	0	0	27338	31485	0	52533	43202	29729	29741	16410	0	4358	2712	10682	48610	1540	7008	51436	14647	3391	4936	8144	9424	24176	57010	27317	45824	50581	45038	33816	28029	37826	44370	0	21701	25396	38683	20005	6431	5464	33870	3821	4346	21765	29613	20047	67058	37264	7892	77247	28444	52681	0	29809	29338	4712	3530	2986	45120	21245	18430	7783	45648	2747	0	26955	5806	Peptide	0.13333334	1.2	0.13333334
14	C15 H18 O2 N2	259.1441	259.14447	0.13414963	259.14413	26754	26651	24700	29844	4380	8825	31193	27080	4027	31168	29074	24905	0	6243	17507	42082	46783	6829	9321	28818	27171	34006	12689	29104	15025	33788	31127	25895	19705	26926	28220	31906	35680	27117	27839	29633	31036	19109	59108	33756	59924	12956	0	0	0	22137	36880	0	31592	28879	25340	23394	11594	0	3084	1641	12864	37385	9290	29994	24059	21537	4868	4380	7819	7010	11300	65823	23454	36163	50870	25956	23753	30603	35228	36813	0	20634	23930	21418	21082	14885	23223	29865	3744	5663	22612	19601	12540	90220	26274	24542	46708	25658	36477	0	30325	23886	5443	3350	4433	31126	20536	25740	0	35115	4833	0	35708	4584	Peptide	0.13333334	1.2	0.13333334
22	C15 H18 O2 N2	259.1441	259.1444	0.14205238	259.14413	7966	6280	6938	6034	9326	7212	9306	7187	9116	0	0	4383	2836	12457	6233	19662	14476	3068	5996	0	0	3398	5203	15172	21731	0	15777	0	8408	8229	6435	8179	18819	10978	0	7985	17336	7607	19313	0	1629	17900	0	0	0	2151	2263	0	9534	8470	5477	6387	11437	274	4172	1615	8747	17224	0	1335	12442	0	2531	7530	9087	5675	13414	30726	1982	0	0	7336	7315	4633	6272	6978	0	6019	13307	0	9571	1913	0	0	3855	8146	16173	15441	16782	35445	5009	0	15099	0	0	0	5258	4438	5752	2744	4361	20644	5064	0	0	38165	5067	0	19465	4375	Peptide	0.13333334	1.2	0.13333334
16	C15 H18 O2 N2	259.1441	259.14444	0.10961586	259.14413	20105	23329	22751	27679	6027	10231	28888	40747	4678	12364	16072	26006	1987	8686	20829	67060	77564	8906	9444	18827	20008	25370	22205	75158	38189	19941	35280	16102	31732	34239	39434	37823	56104	32638	14993	36990	51152	19141	72846	20157	40910	19129	449	378	0	21226	19869	0	50068	42017	28734	21118	12737	263	3073	2849	10221	55489	4889	21283	46479	9886	2044	4361	8986	6073	15661	65497	21436	25435	34429	30202	27529	23980	38013	30888	0	25840	29292	27203	26118	11561	12870	18140	5103	5940	42571	29154	19119	123131	27379	17972	77102	21682	28041	0	28540	21265	5230	3314	3968	58439	20532	17524	7503	79893	3944	0	42724	2634	Peptide	0.13333334	1.2	0.13333334
20	C15 H18 O2 N2	259.1441	259.1444	0.14899534	259.14413	5069	7213	5202	5699	3211	1941	7641	5285	3357	2696	2153	4887	3638	3354	4608	8733	14088	0	0	2085	2688	5816	3560	12020	7348	5386	6934	4545	6227	4485	4779	6661	10357	9093	1654	4492	12003	3323	11997	0	8938	6687	0	0	0	0	3087	0	7633	5254	3560	4576	4186	0	0	1215	3862	10278	1221	6466	13126	1967	2105	0	1822	3391	4131	20476	2701	1836	6658	6729	6907	4152	8327	5889	0	3520	14527	5903	6847	2475	2697	0	1556	2570	11070	5780	7609	45371	6629	4622	28093	3247	3544	0	4126	6218	1853	0	1401	15592	4953	4143	0	12486	1268	0	13131	1753	Peptide	0.13333334	1.2	0.13333334
2	C15 H18 O2 N2	259.1441	259.1446	0.08502679	259.14413	19502	20574	17375	18950	3092	0	16535	30066	3038	22174	13614	15321	1552	4126	18859	27328	27114	7507	10846	24664	29130	17012	15379	32032	16113	15662	12770	14614	26525	24680	22477	27112	30423	23159	23173	27347	27628	14650	29209	20892	19510	13985	229	0	0	11156	13681	0	31456	25918	17536	17891	9928	0	3756	1559	4867	28460	1267	5988	24418	10120	3611	4045	5019	5589	10479	33584	9819	16176	18122	24821	26182	28184	34280	23470	0	15039	18788	18627	16131	4861	6222	18376	1673	4330	17229	11789	12724	41200	19067	10361	41129	14074	21997	0	17226	18352	2661	934	1601	25896	13288	24834	7490	25100	1789	0	17453	3392	Peptide	0.13333334	1.2	0.13333334
6	C15 H18 O2 N2	259.1441	259.14453	0.11303761	259.14413	24435	25951	23845	28714	6729	10839	14614	34551	4192	53404	32346	12416	4318	9492	18245	35223	22969	12180	15271	66439	63156	22133	18615	44859	27473	38151	17909	41343	30614	28621	30733	33491	42535	31803	49699	28473	45595	16912	29689	32030	18450	13828	0	0	0	26601	23632	0	34003	32562	24502	27209	9669	0	5759	1696	6941	38945	817	6006	36778	17311	4802	6755	4712	6234	14098	42415	26182	47494	49629	31171	27651	26051	23250	25127	0	16439	18736	32203	18053	4017	3481	29165	3562	5533	19491	17290	14571	52913	38941	7917	61571	21915	49902	0	22926	22183	3651	2338	2221	33423	14514	22917	8955	34410	3001	0	17405	6406	Peptide	0.13333334	1.2	0.13333334
22	C13 H22 O5	259.154	259.1543	0.21592948	259.15405	4422	4691	2359	4578	2841	2132	6357	2995	0	0	3078	4157	1982	15226	2940	2612	14677	11488	0	0	0	1915	0	1398	2855	0	8907	7579	3716	4667	3062	4373	4633	2921	4034	4630	3632	3102	12114	0	0	2074	8393	7268	6894	0	1908	7153	2298	4058	4469	3373	6106	7849	2407	4473	11982	2624	1888	4413	2323	0	3314	1393	36360	4355	2702	12850	0	0	0	3027	84169	68043	11958	6175	8009	4331	1875	9603	2279	2763	5855	2132	9210	16127	1428	19289	1602	1394	10982	7011	3208	0	0	6577	5422	5358	8729	8621	42127	6161	5445	2684	5060	1890	18138	7662	3632	1895	Lipid	0.3846154	1.6923077	0.0
12	C13 H22 O5	259.154	259.1544	0.1545598	259.15405	4948	7579	7804	5277	4606	6678	14678	7930	3040	4715	0	5829	5394	10515	4911	9988	9644	3781	2525	4117	4454	0	3925	4282	5882	3336	17137	0	9648	10048	8365	13572	7560	8787	0	12352	9038	6013	11880	1632	0	6558	2364	643	425	4409	4526	492	12283	9818	5919	6221	4476	3036	2487	2116	4414	9147	0	0	0	0	7513	1807	6171	9184	9297	11749	0	0	1630	6230	10360	9910	11201	10394	324	4788	4449	0	3196	1837	24495	24808	5474	5480	5575	4860	3441	6992	4075	6810	5909	0	4863	957	8294	7311	3736	4883	6185	11538	5849	3217	0	5211	4445	559	3662	9034	Lipid	0.3846154	1.6923077	0.0
26	C13 H22 O5	259.154	259.15433	0.16234815	259.15405	54717	55239	63635	59381	43578	33588	30745	43492	38212	39103	51495	48755	24707	31044	45876	43278	34416	69673	24765	40526	28438	33727	42621	37220	42289	47468	52366	39259	31208	47918	45431	46637	33811	42785	52782	43680	38691	40260	52105	34334	65386	39062	64601	73617	70296	39413	60303	86278	34904	48834	47888	40321	68978	87864	32147	38660	44737	37120	38786	55055	37516	39936	35299	44942	46611	48553	32081	52521	48203	40360	58570	43857	583868	745099	74885	42928	70732	50622	28537	41983	45057	52778	46160	43305	35530	54129	36693	246201	38225	36470	32038	32211	32837	42014	42986	68178	57112	51312	56283	33552	49832	45627	42290	38702	50642	30368	30192	66241	45109	39590	Lipid	0.3846154	1.6923077	0.0
6	C12 H22 O4 N2	259.16522	259.16565	0.11886709	259.16525	14336	13008	13117	13995	7370	5535	7400	9538	6915	6409	6814	5083	7324	3234	6188	16296	11437	10124	13560	3544	1951	7379	7543	17367	6908	0	7772	14502	9597	6318	7782	9522	15424	10538	5332	8796	15620	6312	16493	1862	1244	6125	0	0	0	5473	4979	0	10025	6379	13886	12465	7469	273	6302	4265	3181	15883	2213	2535	14559	0	7533	5444	4042	9433	7006	17563	0	1761	0	6834	7470	7135	8426	6406	0	9279	9571	22307	7382	3654	3776	0	7759	7572	12763	9290	7130	23287	134478	493987	21261	5262	2987	0	13052	10202	4599	7585	7601	13805	6788	4530	0	14200	8187	0	7464	9362	Peptide	0.33333334	1.8333334	0.16666667
12	C12 H22 O4 N2	259.16522	259.16556	0.1388058	259.16528	1467	3325	3552	2069	6069	1864	0	1255	2242	0	0	0	0	3378	1436	6056	0	1308	0	0	0	0	1263	6373	1226	0	0	0	1352	1430	0	6323	2182	5238	0	4358	1586	0	1952	0	0	1727	310	0	0	0	0	0	0	0	2255	3153	3204	0	14632	955	1014	23456	0	0	0	0	1913	2752	0	2256	1282	0	0	0	0	0	0	1283	1777	1462	0	0	1935	0	1788	795	0	0	0	2277	2380	1958	3911	7301	10416	5356	10490	0	0	0	1768	2320	5208	2263	2504	0	986	0	0	3043	4540	0	2166	0	Peptide	0.33333334	1.8333334	0.16666667
14	C12 H22 O4 N2	259.16522	259.16562	0.1613639	259.16528	4830	3310	3996	3077	4136	3285	0	2838	0	0	0	1804	0	21310	1446	6965	0	0	4671	0	0	0	4227	18166	1745	0	1414	0	1469	3259	1882	0	0	7732	0	4578	1934	0	0	0	0	7928	0	0	0	3145	0	0	0	2533	2175	2182	5259	464	1613	1078	8499	9465	0	0	0	0	2222	0	7246	0	10236	3072	0	0	0	2985	4202	3592	1321	3913	0	1166	1768	0	5517	0	0	0	0	11442	7620	5734	23581	9202	4202	3622	8699	0	0	0	3624	5511	4148	1335	1161	0	2096	0	0	4233	2048	0	2848	0	Peptide	0.33333334	1.8333334	0.16666667
4	C12 H22 O4 N2	259.16522	259.1657	0.16004995	259.16528	9062	9698	10337	8479	11489	6180	5535	10119	7284	2853	1608	3684	14018	5743	6814	10710	8226	10255	10158	3523	3083	10703	7141	11997	7236	0	5363	6000	10739	6085	9230	10717	16277	8735	4331	8801	12122	6312	10482	2410	2723	6168	0	0	0	4562	3547	0	10802	6656	12109	8468	7482	0	9473	4810	3964	14867	2375	3471	13637	1200	10050	6986	1959	13189	7339	8520	0	1495	0	6373	7601	7231	4894	6341	0	5358	8000	37227	5242	2427	3167	1046	5243	5433	10073	7282	8320	17231	126525	65388	23885	6472	3590	0	8624	9435	5379	5041	6042	11069	4586	5725	0	11591	6899	0	5373	13201	Peptide	0.33333334	1.8333334	0.16666667
2	C12 H22 O4 N2	259.16522	259.1657	0.088850334	259.16525	33489	30964	29577	33101	37727	59131	12760	37669	29434	12106	5429	13785	50265	50328	19741	35262	18095	41837	39094	13734	12697	42054	22286	38520	24380	528	8693	9602	37941	20986	37138	37634	47360	33949	17875	31643	38795	16785	20983	8614	4562	23197	0	0	0	15348	7869	0	35056	21203	30047	33301	33948	0	30980	8976	9104	62223	8172	6015	34794	3001	38131	24382	9553	51591	36478	27801	1237	5028	2076	28577	29005	27370	12152	26913	0	16096	21857	18629	12523	5265	6339	2483	14147	12000	29089	23702	29085	79703	78198	65004	90824	9127	12929	0	30881	30585	13729	13123	13226	36026	15675	21913	4643	47827	17647	0	17161	58765	Peptide	0.33333334	1.8333334	0.16666667
12	C17 H22 O2	259.16925	259.16965	0.116459385	259.16928	31179	36283	28538	31485	14758	11215	32825	25460	14132	13322	16865	19213	9272	12311	23331	43053	44898	12470	16589	17632	18273	29281	22781	37270	25184	20638	36559	11893	28777	32323	26449	33526	27824	22060	15414	32159	23367	22226	45807	21270	29126	13089	3543	3206	3652	21611	25074	5326	31161	28669	29940	33223	14522	3244	20051	17014	15076	46352	18368	23904	25671	7663	11304	11689	12544	12553	12641	43669	19844	20783	24816	17481	24787	27459	50942	32895	2495	19424	31131	14998	26343	21997	31490	13851	17849	19233	33959	12633	17058	66342	29552	40922	39075	13727	35951	4121	30993	32087	14483	20372	26028	32423	24554	36007	0	23238	16956	3749	27567	10529	Phytochemical	0.11764706	1.2941177	0.0
0	C11 H22 O3 N4	259.17645	259.17688	-0.14565368	259.17642	4507	4908	4877	3905	3018	0	1450	3325	958	0	0	0	1691	0	1985	0	2168	1794	2325	0	0	4964	3007	4263	3574	0	0	7945	21567	4898	23620	8502	49129	9038	0	7491	37621	1726	2928	0	0	2714	0	0	0	0	0	0	25079	2507	2921	3780	4086	0	873	2267	1510	4913	0	0	0	0	0	0	1880	2116	3921	6223	0	0	0	2889	7212	4821	0	5567	0	1315	2896	3257	6852	0	0	0	690	2856	2436	2358	2238	4691	12261	3739	17251	1498	0	0	5183	5744	1922	981	0	5109	0	0	0	8318	2020	0	3645	2164	Peptide	0.27272728	2.0	0.36363637
2	C11 H22 O3 N4	259.17645	259.1769	0.025946455	259.17648	1668	2271	2129	3519	2478	0	852	3041	1062	634	1783	24661	2956	1232	4288	5512	1313	1360	1635	0	460	2717	1618	5496	2402	0	0	8337	3499	2942	4302	3711	2788	2870	516	2783	8604	4204	1215	283	529	0	0	0	0	1091	0	0	19632	2981	2866	2942	1817	0	1336	1553	922	5105	0	0	4890	0	2086	821	0	1752	1404	2272	0	366	817	3012	2581	2596	4965	2210	0	23811	1682	35054	1651	0	0	0	843	721	2250	1253	965	7062	23731	5456	6283	3634	468	0	1822	2444	685	1358	1794	7333	21656	715	0	3370	988	0	1851	1894	Peptide	0.27272728	2.0	0.36363637
4	C16 H22 O1 N2	259.18048	259.18094	0.11559752	259.1805	4210	5200	4713	3709	378	2168	3383	8319	0	4744	2002	3483	0	640	2871	9308	8492	2047	1260	5768	7405	2083	3289	10404	4492	664	2841	3580	6821	5131	6357	7959	6660	7964	6269	8265	6130	2742	6795	4188	1171	3233	0	0	0	2056	2660	0	9275	7944	4397	4147	920	0	0	0	906	6789	0	0	7151	1016	0	0	2228	765	23242	9432	0	0	0	7276	8225	9197	10400	5756	0	3957	3269	0	4527	0	222	3052	0	1617	2916	1396	1881	13838	5523	0	11701	2790	5605	0	4306	4931	0	0	0	5679	4505	2784	0	7160	0	0	3888	0	Lipid	0.0625	1.375	0.125
22	C14 H26 O4	259.1904	259.1907	0.13350315	259.19043	12070	11591	9806	11405	7061	7090	28671	14952	5069	16003	21480	4976	4601	20473	8894	6951	11574	0	2877	6237	10895	4196	2412	3350	2775	7231	32056	36522	9778	6867	7205	14552	15275	6316	8195	9315	6430	6768	9130	12516	16170	47945	35588	10366	14045	10636	23804	11769	6755	11726	14393	12988	6215	24743	9961	3887	7267	7223	38412	15241	10314	43226	9069	5335	21401	9913	15608	16499	1759	2282	7599	10048	7162	8050	7408	6962	15244	3133	5146	233428	5681	8182	15792	16481	4461	23169	4066	10525	10867	9333	125339	85243	6426	22633	7457	14466	13943	13551	7191	2625	11295	14133	7848	14252	473703	15409	8499	13088	3412	3578	Lipid	0.2857143	1.8571428	0.0
26	C14 H26 O4	259.1904	259.1907	0.11875917	259.19043	32093	30648	32655	31327	20635	27316	78255	50134	12744	17538	60181	24928	19110	45290	27347	23534	27939	18112	16089	21709	21809	22874	16514	25199	16310	37116	70644	433320	66135	27802	33127	33152	75288	19937	14795	30977	21445	28595	24123	17646	22344	147660	63428	40532	56284	36863	31887	38672	30608	28138	31045	34555	30306	80086	18295	17121	21846	21286	20646	34101	32325	24133	20823	25446	41973	17907	33747	24048	26354	15405	31297	29489	24294	33803	25582	29753	48161	23413	18294	584794	24375	30733	31783	40694	20663	32329	15038	24184	30811	8930	59165	63872	16358	37100	20320	46804	31549	41499	22924	12948	23256	38799	22099	56395	31425	50563	15417	45133	23693	18211	Lipid	0.2857143	1.8571428	0.0
24	C14 H26 O4	259.1904	259.1907	0.15183467	259.19043	28396	27710	29601	26189	19982	16214	117567	40752	3591	17956	56262	13677	11394	70451	14301	11470	29334	5717	4324	6340	13980	10019	6584	16291	5604	24612	140327	347500	32045	21635	14500	30393	38153	17769	10009	25836	12008	12786	29638	15230	18234	92650	85839	13139	28984	17851	27493	14447	26342	21465	27948	22026	24848	70944	5849	8392	10399	14725	36734	26788	20998	41311	11512	15055	48878	23992	28824	32066	8492	5173	25538	14599	15922	16358	13670	18907	30409	9429	8628	645168	7620	41983	39524	55920	15348	12584	6931	22849	28240	10358	92107	77125	10673	50447	10883	23105	25970	37227	11546	2681	10601	25101	14344	35635	251097	27629	8785	12666	6924	12133	Lipid	0.2857143	1.8571428	0.0
8	C13 H26 O3 N2	259.20163	259.202	0.14273256	259.20166	325426	396033	259397	379085	19818	381965	4841	41307	8298	34284	51895	6421	29372	50972	37984	49862	937	49750	19294	0	2542	47098	10480	40037	42909	3176	9735	1317762	55210	19876	54305	50788	56833	47113	11078	31096	56969	17889	857	1699	0	137096	702	0	0	7267	0	0	54156	19219	385431	370354	16232	1262	6297	2526	5802	60598	0	0	23414	0	18036	5481	14415	32243	31150	2110	0	11548	0	37574	24448	22069	0	18483	0	22056	4985	2117704	2852	710	1942	2607	4952	25077	6516	25054	54607	11207	14508570	9629153	60282	412221	225228	856	380154	410619	24710	1210	2380	28390	25993	20590	0	34692	4216	0	6164	14161	Peptide	0.23076923	2.0	0.15384616
6	C13 H26 O3 N2	259.20163	259.202	0.11511405	259.20166	3599	4505	3784	3886	2741	3341	1264	3232	1272	1076	0	4331	4080	2870	1751	5740	992	4920	2009	0	0	5305	2160	15732	5366	0	1230	3302	3474	2487	4482	6512	3253	4976	1329	2839	4367	1505	2242	1068	0	2147	1060	0	0	3194	0	0	5138	1102	5140	3584	2284	0	1027	477	853	40013	0	0	5780	0	1654	0	683	5775	2815	3820	0	0	0	2790	3897	3551	1187	3268	0	3049	4977	0	3140	410	0	0	0	1053	9521	2682	3304	10704	17308	3790	14161	759	0	0	3203	2297	707	1046	624	3662	4485	0	0	6745	1310	0	3508	3104	Peptide	0.23076923	2.0	0.15384616
4	C13 H26 O3 N2	259.20163	259.2021	0.15254456	259.20166	47432	53166	51633	49075	6636	4802	2967	19648	5267	2796	13385	10642	11554	0	6611	134231	18687	6843	7444	1468	2364	53379	76140	255635	11162	794	3555	60020	49390	120389	39689	55015	21827	42119	1943	47271	17725	8237	17324	1753	0	8874	0	0	0	61723	928	0	26987	44303	44120	50705	7366	1572	3206	56929	40949	528626	0	0	48510	0	6104	41361	121813	9158	47785	31763	0	9414	0	27263	207560	258730	18401	82847	0	11217	50749	190294	73435	24884	924	301	44700	213416	76441	102223	246319	166611	23569	11975	149065	13451	2307	0	44557	62227	16992	23532	142064	10768	8362	5205	0	44816	115800	275	7390	2540	Peptide	0.23076923	2.0	0.15384616
0	C13 H26 O3 N2	259.20163	259.202	-0.101236895	259.2016	7732	6568	11465	4582	929	0	127108	0	0	0	3334	59813	0	0	11386	0	61660	0	1331	0	1099	1409	2167	1944	0	0	0	2002	256505	0	372876	2688	306536	63442	1983	5157	69496	15013	83826	0	0	1393	0	0	0	0	0	0	5208	0	10646	9405	2786	0	0	409	7166	7649	0	0	0	0	0	0	1610	1393	2554	32283	703	0	0	0	1916	0	0	8234	0	32456	1224	708	1078	0	0	2695	763	13141	3186	3332	0	2828	1654	1553	2695	0	0	575	7266	17639	445	0	0	3069	0	0	0	2716	773	0	101282	0	Peptide	0.23076923	2.0	0.15384616
12	C13 H26 O3 N2	259.20163	259.20193	0.21524051	259.20166	40961	42604	44176	47629	5363	1762	0	0	2599	3568	2058	0	7382	0	0	2479	0	0	0	0	0	0	0	0	3642	0	1662	0	0	937	0	1820	0	0	0	0	0	1131	0	0	0	0	0	0	0	0	0	0	1283	0	31602	27931	2620	0	0	0	0	6530	0	0	0	0	0	0	0	3484	0	0	0	0	0	1650	2597	0	0	2892	0	0	8713	0	1700	0	0	0	0	0	9319	0	0	5695	1459774	354872	6939	5210	4459	0	31166	17314	0	0	0	0	921	0	0	2297	1525	0	7323	2895	Peptide	0.23076923	2.0	0.15384616
10	C13 H26 O3 N2	259.20163	259.202	0.10002063	259.20166	19154	17816	24548	17736	1835	5070	0	1499	0	0	16434	0	2557	6740	1633	2794	0	1300	0	0	0	11104	1162	2170	3565	0	0	131972	1964	1276	6629	0	1821	2800	0	3756	0	0	0	0	0	1026	0	0	0	0	0	0	2443	2832	20273	18167	1427	0	0	0	0	13906	0	0	0	0	8520	0	0	5097	2439	0	0	2835	0	2125	3727	4703	0	1499	0	1489	0	44810	0	0	0	0	0	0	0	807	0	0	2217304	2686416	2587	11996	4290	0	26111	42697	0	0	0	0	1069	0	0	3354	0	0	0	7315	Peptide	0.23076923	2.0	0.15384616
2	C13 H26 O3 N2	259.20163	259.2021	0.09424718	259.20163	140342	127064	106523	111118	2740	0	0	23381	526	3952	1953	7876	2345	1778	3144	10216	8296	7857	764	2048	1666	1697	2102	2495	36162	0	111981	7779	768973	69317	1451872	196232	422038	229400	5271	140210	1045722	3166	9386	789	0	0	2700	0	0	397	281	0	1701775	0	113713	120379	1162	0	1227	614	722	4607	0	0	6496	0	1724	362	0	2141	1423	9196	0	0	367	7743	23945	13208	2060242	65755	0	19731	1287	0	952	0	482	322	702	1114	2667	864	1990	3535	4779	2372	3361	493	1092	685	103949	122932	487	849	766	509968	5265	1243	0	2697	677	0	18822	1311	Peptide	0.23076923	2.0	0.15384616
18	C18 H26 O1	259.20563	259.206	0.22842173	259.2057	3339	1614	2739	3424	3231	2804	4837	2557	2406	0	2937	2345	0	3040	2286	5473	10740	2663	2359	2563	0	2236	2738	3559	3642	2641	3871	1514	0	2977	3101	3900	2731	0	0	2450	0	2235	11026	0	0	1999	388	0	441	0	0	492	4315	3006	3392	5139	3257	447	0	3061	1363	5327	2147	4478	4245	924	0	2570	2862	2854	4323	13472	0	0	2011	0	1650	4405	11454	5049	339	1128	7162	9113	3419	2485	3578	3412	3724	3189	5839	1463	3800	21116	12215	9295	4845	1825	0	556	2080	3685	3272	3072	4596	0	0	0	0	2119	2833	0	3525	0	Lipid	0.055555556	1.4444444	0.0
20	C18 H26 O1	259.20563	259.20596	0.17766704	259.2057	12857	11773	13481	11678	7798	4634	29500	8742	6211	6417	5572	8533	4848	12542	10258	23693	46586	6838	12609	2847	5337	5138	7362	8310	16013	10683	32853	8122	8490	12315	7847	10544	10038	6901	5346	14457	11364	8622	47495	4039	13090	8588	1524	708	425	9769	13251	537	13173	13389	19309	16968	10843	1925	6720	9768	10859	21569	4318	15485	16831	4481	10555	5785	12980	10814	11628	45857	7935	3478	8988	6504	9518	13412	28372	10491	736	5058	21935	27576	10523	5055	19880	22269	13076	11324	39125	8436	8547	79825	50984	33657	20178	7306	10531	625	13127	14861	12069	12897	17568	13748	9272	9967	3272	11224	14489	0	19958	4761	Lipid	0.055555556	1.4444444	0.0
8	C12 H26 O2 N4	259.21286	259.21323	-0.050593816	259.21283	0	0	0	0	0	0	0	29201	0	0	0	0	0	0	36719	0	0	0	0	0	0	30247	0	0	128019	0	0	0	7910	982	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1454	3038	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	749	0	0	0	0	0	0	0	0	34323	0	0	1845	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.16666667	2.1666667	0.33333334
10	C12 H26 O2 N4	259.21286	259.21317	0.10943347	259.2129	14090	15153	11900	10805	0	0	10166	26225	0	0	2566	32284	0	0	31593	66635	4881	0	0	1849	0	1701	41613	50523	23916	0	23493	3944	30327	9849	20834	52389	4202	0	0	37147	4021	70156	6234	0	0	0	0	0	0	3208	0	0	32179	7047	13513	12558	0	0	0	0	853	115879	0	0	50452	0	0	0	2714	0	0	10961	0	3584	0	9086	96869	22236	6319	35974	0	52000	3123	0	7142	0	0	0	0	0	1150	0	0	8932	0	0	30816	0	0	0	9962	12968	0	0	0	0	32900	0	0	56375	0	0	85282	0	Peptide	0.16666667	2.1666667	0.33333334
6	C12 H26 O2 N4	259.21286	259.21323	0.1474833	259.2129	4471	4436	6438	5608	0	0	822	0	0	0	0	1148	0	0	631	2190	0	0	0	0	0	0	8083	22849	1169	0	0	0	0	631	0	3306	1108	5260	0	1931	774	0	0	0	0	0	0	0	0	3680	0	0	0	0	6496	3979	0	0	0	0	0	2774	0	0	1998	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1091	27271	292252	15783	3803	0	0	0	0	3453	0	0	147488	8449	0	183945	20256	5157	0	6039	4480	0	0	0	0	1061	0	0	29902	0	0	720	0	Peptide	0.16666667	2.1666667	0.33333334
26	C19 H30	259.24203	259.24222	0.24362396	259.2421	0	4422	3101	1886	0	0	17205	0	0	0	3061	0	0	8394	0	0	7559	0	0	0	0	0	0	0	0	0	23459	8187	0	0	0	0	0	0	0	0	0	4145	8378	0	4902	0	0	0	0	0	0	0	3421	0	2961	2028	0	0	0	0	0	6363	0	4028	5595	0	1805	0	9062	1506	6055	9256	0	0	2133	0	0	0	7884	5150	0	0	6835	9450	3079	6313	5220	4453	0	0	24323	0	2981	25558	7933	4925	0	4421	0	0	2476	0	0	0	0	0	0	0	0	2127	0	0	9173	0	Lipid	0.0	1.5789474	0.0
16	C13 H9 O5 N1	260.05536	260.05573	0.21961607	260.05542	12109	13723	12519	12268	16768	11534	11356	8489	10667	4677	4169	10027	17162	8012	5356	26220	19319	23340	20302	0	3679	17553	14864	19317	10131	0	11188	3755	8613	8324	11275	13083	22051	13727	5941	7245	18527	8899	26683	3239	6097	13429	1084	1072	1063	2848	3326	1188	11877	7459	13538	12049	17472	637	7864	6139	7966	27877	1777	5315	21817	1542	19944	12006	6629	25194	12105	23091	0	0	1448	11247	6832	4539	15061	11817	661	7525	21339	16715	14119	4113	2893	2975	13328	9064	22570	24519	16317	42069	10961	10246	0	9949	10867	1470	13556	9724	6254	11441	10662	18586	9022	0	0	19934	6506	802	11113	18127	Phytochemical	0.3846154	0.6923077	0.07692308
18	C13 H9 O5 N1	260.05536	260.05566	0.17101435	260.0554	10871	8838	6093	10663	13403	6620	8376	9009	6026	4415	2310	6834	7442	5799	5751	14923	14454	10157	11683	0	0	14293	9541	15677	7579	0	8635	2422	5661	6265	8417	7326	12806	8668	4027	4485	12955	6296	17104	1640	6849	8734	1190	732	1051	2383	1876	1298	11842	3454	4279	9318	13111	1296	5186	3742	5775	16315	1588	4523	15474	1164	9978	8512	6171	15758	11835	16842	0	0	2450	6163	5584	2356	7834	7314	698	3935	18462	6396	10355	4210	4569	1872	9458	4959	16463	16647	13412	39375	2824	5331	19629	6818	3832	1314	8808	7383	6097	6952	7098	9959	4721	4754	0	17557	6101	869	9321	11350	Phytochemical	0.3846154	0.6923077	0.07692308
10	C13 H9 O5 N1	260.05536	260.05576	0.19892867	260.0554	11003	10743	8417	10713	17896	10687	6549	8200	14913	7576	3604	9355	18397	9388	9133	17988	12475	23838	23065	4612	5554	11936	13136	12982	5009	0	8802	3284	6596	6700	7625	6971	16366	6551	8211	3882	16208	9153	15285	4141	6184	11488	581	485	446	2010	4123	448	6706	7563	12121	11910	14919	522	17731	9857	9581	16111	2252	7579	14796	3170	20941	15996	5853	20346	11397	18800	0	1852	2277	5734	6584	2483	7964	6258	0	7242	14185	5253	13229	4599	3421	1203	16608	8642	19106	15464	13905	28384	4078	5133	24175	6392	4892	855	10917	10472	12402	18673	15470	18277	7430	3439	0	15244	11000	0	7949	27742	Phytochemical	0.3846154	0.6923077	0.07692308
2	C10 H13 O7 N1	260.07648	260.07697	0.22968861	260.07654	4634	4227	3207	3494	10331	0	1536	2866	7108	1093	0	3204	17315	4509	2235	957	2688	11191	9533	1684	3507	4126	2880	3477	676	0	0	0	5114	1699	3825	4076	8019	6808	2685	3743	5578	2192	2394	1792	919	5027	203	0	0	1504	1052	287	4218	1893	3471	3535	7522	245	6941	5070	2526	5689	1219	717	2018	401	17963	8854	4001	13127	5657	3426	0	827	669	5695	4688	2280	0	3347	0	2712	2462	0	1865	1166	776	543	4645	2785	1821	9128	7574	3717	2688	2311	5172	0	0	0	3985	4304	4096	4552	4743	2845	2425	2619	439	5289	3536	0	1604	21185	Phytochemical	0.7	1.3	0.1
22	C14 H13 O4 N1	260.09174	260.09207	0.18005905	260.09177	7959	7984	6243	6741	5933	5989	3105	7415	4746	3278	4088	6728	1779	0	4639	11904	9936	6142	7722	3709	2659	12363	8602	10913	5360	2321	1628	4682	6324	4960	5154	5227	7872	5348	6486	5617	9022	5064	11807	6076	11501	8544	0	0	2618	3553	6179	0	8655	3871	6581	5895	4307	2124	5455	1717	5888	10693	3974	5863	11233	4986	3724	4255	3705	5266	10557	8831	0	3320	6226	6305	5112	3146	4882	6250	1944	4308	10758	10233	9596	4235	4034	4004	5916	4195	11978	10203	7359	37877	8728	6502	25791	6553	6065	0	4577	8657	3151	2105	3027	8729	8741	8625	2047	14366	1641	0	3854	4960	Phytochemical	0.2857143	0.9285714	0.071428575
12	C11 H17 O4 N1 S1	260.0951	260.0955	0.2243452	260.09515	3801	5195	4065	3475	1902	3695	2615	2680	0	2342	0	1382	2556	870	2162	1955	2184	2185	3317	3025	1297	8022	0	2961	1743	0	2814	0	2528	1528	1751	2881	3186	2789	0	1433	5055	1307	2751	4219	4445	2747	0	0	0	5155	7444	0	4114	0	2699	2227	3046	0	0	0	770	4101	0	0	0	3556	1680	0	694	2146	1338	0	0	0	0	1180	1110	1411	2752	1577	0	1331	1618	0	1186	3773	4226	1869	1858	1869	2839	3730	2601	4505	24200	24516	3743	3865	15589	0	4176	3515	2258	1388	0	3301	0	6401	0	2552	1547	0	1600	1158	Organosulfur	0.36363637	1.5454545	0.09090909
10	C11 H17 O4 N1 S1	260.0951	260.09552	0.21276742	260.09515	5930	6455	5902	5408	4330	4468	3247	4647	1882	4082	1754	1948	4375	2206	3233	9041	3317	5041	3867	4001	3111	11712	2347	8107	3911	0	4245	0	4742	3869	4871	4660	5560	5658	6023	4405	5006	3378	4581	7373	5786	2724	0	0	0	5815	10007	0	5356	3448	5096	3639	4827	0	1850	1310	1658	7001	7184	7499	0	2400	2043	2923	1259	3017	2273	6305	0	1375	1729	3876	4275	6522	1996	4232	0	2190	7393	0	2711	5600	5619	2709	3041	2626	12235	5020	2410	6957	17784	25895	8602	8477	13584	0	4738	5480	3192	2522	2270	5867	2894	4616	0	6393	3018	0	4461	2847	Organosulfur	0.36363637	1.5454545	0.09090909
8	C13 H13 O3 N3	260.10297	260.10342	0.18934935	260.10303	18441	24410	18141	21831	10208	6127	17596	23812	8069	16783	14115	13246	6657	4902	13730	58058	29732	10482	14160	16838	19357	44825	18044	42933	21883	9146	16335	15420	14012	12891	14927	17707	20437	12906	19356	12421	18709	17457	34959	18315	23973	10209	0	0	0	23805	22902	0	20102	16489	19484	24357	10371	0	7723	5072	8646	0	5142	15561	53168	10447	8119	7302	7004	12852	9269	36959	6965	17195	16312	14061	10460	8304	16650	15896	0	10542	32403	27155	23393	12713	10473	11964	8023	7348	38688	18228	11768	108399	25813	21920	92847	25492	33130	0	19064	23504	6666	5984	6908	20711	11219	13677	9327	34790	6680	0	34055	8404	Peptide	0.23076923	1.0	0.23076923
4	C11 H17 O6 N1	260.11285	260.11334	0.10568318	260.11288	46497	54534	48368	50133	65249	44034	31320	50087	68957	20803	23049	35238	91589	32562	32273	53380	86892	98489	79249	30642	31636	43467	35955	55132	25327	4471	28238	14207	47718	39521	43162	47616	79054	49189	32126	53268	79788	29152	95133	18899	18333	58550	2830	1396	2220	27647	25043	1606	56085	45967	53846	40366	66106	1923	74413	70692	36851	55050	27136	28848	52673	12163	91258	64113	38450	78820	45195	72458	8466	8724	7214	44743	50540	66729	29522	43507	986	36220	26039	18771	23141	13647	17635	7139	62716	51439	31729	59995	65118	47194	52515	50074	65417	16329	20952	3219	45094	54100	53539	71896	83199	78060	36140	36707	18158	53959	75697	1684	20882	124575	Lipid	0.54545456	1.5454545	0.09090909
0	C11 H17 O6 N1	260.11285	260.11337	0.043469395	260.11288	13327	14117	11033	12131	22544	83875	2925	19321	13899	10186	2024	4791	30212	15489	5517	0	4329	40430	30870	11835	20738	17043	8463	9628	5373	1293	0	0	30928	8071	19308	16624	41602	24990	18366	16530	23809	3893	5190	12400	2455	23439	0	1072	1524	8966	2653	549	21233	8148	11859	10509	26023	1345	16379	6957	3123	29253	6498	1787	5970	1857	41421	22497	3644	26092	32337	4607	1207	4682	1719	18347	23148	14064	0	20547	1235	8436	3765	0	2844	1736	2819	1602	4433	2808	3622	16246	27798	4749	11823	12454	14198	2233	1784	1315	14592	15069	4642	4591	4630	17456	4585	12979	2156	23566	5428	615	3411	65698	Lipid	0.54545456	1.5454545	0.09090909
14	C11 H17 O6 N1	260.11285	260.11322	0.13754533	260.11288	17218	13036	15235	15506	35362	28913	12715	23193	33042	0	5597	10449	59862	31299	22061	15595	30004	49477	40802	7465	9700	7493	16491	11856	13758	1692	13980	8985	29189	20182	15559	28082	29101	19236	5644	28972	20756	14776	21901	1826	4717	28878	3836	2132	2973	8061	5564	2558	21372	18565	13659	11980	31113	2955	44165	32924	17077	18281	6651	7829	0	2442	26582	27231	15972	37290	30749	18332	0	3119	2356	14141	20578	30177	20678	17209	2013	16575	9838	0	8643	4009	8347	3527	61028	26265	15723	19693	22538	11750	21520	16062	12849	3442	3240	3527	12862	13282	28345	52366	76478	33849	9678	12096	0	13004	49450	2302	9950	33330	Lipid	0.54545456	1.5454545	0.09090909
0	C10 H17 O5 N3	260.12408	260.1246	0.12117537	260.1241	7110	8572	6391	5673	12873	13686	3172	10998	11360	0	0	4546	18579	8310	4014	2218	5749	24921	16289	2106	7098	11053	7105	10835	7100	0	0	2542	16707	3155	12292	8339	30537	11093	6082	6580	12119	4714	10433	2724	0	13275	0	0	0	3760	0	0	13451	5323	7975	5859	16940	0	11080	6571	4447	17943	2255	1395	5997	0	25923	10112	13684	13067	33976	7499	526	1646	0	8287	9396	6684	0	7228	0	3881	5246	3508	3692	704	0	0	7368	6144	7422	14898	18195	13669	9319	5157	16655	1125	0	0	6792	7154	5984	6513	7778	8285	5379	2385	872	17628	7342	0	4802	38486	Peptide	0.5	1.7	0.3
8	C15 H17 O3 N1	260.1281	260.12854	0.11160258	260.12814	48739	52518	30996	44481	21484	17954	23557	33377	21661	124217	73016	19513	18668	14056	22082	49242	35937	24162	36845	130738	136384	59524	23945	45333	29073	124637	28150	66902	29820	28182	28037	39258	46127	29858	135319	32706	37893	22287	45728	93382	103097	22120	1862	1197	1093	42553	55176	1050	44626	29949	40337	44314	21326	929	25850	12448	14282	36515	7578	31052	37442	47687	23005	18207	13385	22742	22029	39555	100929	131918	167034	33370	29824	24196	31469	31750	1058	18171	32890	58385	26115	21042	16209	60853	17545	12032	35245	24422	22719	67191	47454	33218	53196	63054	96184	1151	46851	44962	16762	13535	9897	39239	20318	37347	12074	40401	14302	827	29529	20494	Phytochemical	0.2	1.1333333	0.06666667
22	C15 H17 O3 N1	260.1281	260.12845	0.19914791	260.12817	10197	11010	6930	6892	6994	7314	5940	9841	6509	12113	18758	5431	2454	7052	4362	9914	11299	6737	5776	12645	13026	10093	6820	11275	5626	13360	3970	18971	11820	8384	5541	9888	11129	11941	6365	5937	7967	5913	5231	12700	26482	7281	3088	0	2983	9524	10608	0	9252	6549	8493	8916	5319	2864	2742	4128	6077	12135	8252	10611	10634	10949	2714	2527	3728	5149	6577	9133	8530	7064	11695	8334	5583	5230	3227	6136	3282	5549	9330	19024	5194	8319	6932	14344	7216	3901	10640	9333	8096	16163	9429	10457	16599	12572	11173	2821	7553	9070	6567	6172	3951	13469	7069	12323	5817	12453	7215	0	8046	4249	Phytochemical	0.2	1.1333333	0.06666667
0	C15 H17 O3 N1	260.1281	260.12863	0.013114507	260.1281	13706	11075	11937	11546	7037	8050	9593	16013	6311	13053	10265	12126	5613	27451	11652	6661	17530	13138	9323	11685	24996	8993	10067	10629	4454	16457	6413	10324	17455	8064	12985	9643	17966	15897	15890	16277	14597	9581	19307	9831	13186	10885	0	1362	1254	5794	6069	871	15408	10864	10040	9756	9766	873	7201	8420	4386	12986	3815	8448	10690	8614	3379	6956	6030	6246	9477	22592	12701	11313	12463	11682	17560	14168	8471	16741	1178	9656	13450	6978	10833	3959	7241	8299	5376	5513	11284	9821	7729	13605	5118	7280	14046	9659	5275	1262	10166	13811	5625	3483	4296	11924	6951	11407	4511	14193	7064	949	9985	4386	Phytochemical	0.2	1.1333333	0.06666667
8	C14 H17 O2 N3	260.13934	260.13974	0.12976466	260.13937	8616	8020	8503	9181	1775	2805	5967	10875	1116	9268	7274	6224	0	2402	6321	16636	10771	2322	3483	11935	9863	9703	8233	22032	9862	6512	7028	9256	7680	9369	7111	12864	11854	10729	10211	8012	12035	5802	13104	9143	11540	4777	0	0	0	7853	6846	0	11113	10100	8721	9551	2565	0	872	0	1903	13751	1836	5186	15329	4754	0	1596	0	1436	2927	13798	3385	7116	8794	8604	7634	7042	7974	6718	0	5984	8546	10946	8350	2620	4423	9244	0	0	10395	5618	5462	27595	10093	0	46346	8255	8885	0	8420	8280	1716	678	0	11653	6273	5195	0	37125	0	0	7132	1034	Peptide	0.14285715	1.2142857	0.21428572
12	C14 H17 O2 N3	260.13934	260.13974	0.17511204	260.1394	3020	4327	5353	5717	938	1637	3066	6642	0	2750	2064	2164	0	0	2636	5513	5906	1802	0	5355	7073	10024	2356	0	3587	4589	2026	0	4065	4286	3003	6217	5904	4784	6316	3480	3612	2806	8061	9195	7220	3360	0	0	0	3651	5962	0	6600	3029	4286	3274	1253	0	0	0	1363	6882	4787	9215	0	2957	0	0	1221	0	1871	6195	0	5182	4821	5156	3115	2543	3937	3081	0	2223	4873	0	2616	3153	6033	4998	0	899	6082	3719	1843	23945	9530	6747	16586	6449	5911	0	4266	4627	0	0	0	2848	2969	3416	0	7563	857	0	4867	0	Peptide	0.14285715	1.2142857	0.21428572
2	C14 H17 O2 N3	260.13934	260.13983	0.1611673	260.1394	15978	15513	12721	14178	4892	0	10027	21249	2556	18286	13048	9866	1624	6864	12089	28901	22307	6911	10238	33015	31210	19908	12950	22977	15305	7400	9842	17312	19880	15512	16135	16966	20939	17133	18492	16078	16324	10558	24733	15081	16970	13310	0	0	0	11021	12412	0	19583	15497	13919	17419	7751	0	3241	1635	4703	20698	1431	4490	16828	7346	2702	3107	4296	5291	11120	30090	4249	8413	10113	15561	16222	13394	20111	15965	0	9692	18188	16065	14533	4606	5945	13207	2497	4589	18386	10411	10621	43479	19758	9613	38288	10889	11631	0	16470	17753	2512	1040	1436	15169	8611	14549	5190	21030	1790	0	17413	3483	Peptide	0.14285715	1.2142857	0.21428572
10	C14 H17 O2 N3	260.13934	260.13974	0.16435887	260.1394	7355	9279	7007	7579	1578	1568	3759	7296	0	8063	6942	4198	0	0	5089	7987	9502	2201	1141	10590	11705	11900	4680	10549	4792	4571	6059	6235	5914	6057	6744	8661	8796	5992	7164	5133	8838	3191	13096	8558	12053	3335	0	0	0	8621	8692	0	5917	8947	8690	7349	2626	0	1476	0	1508	11013	2439	8410	0	5650	0	1392	1830	1265	2323	16089	0	4972	6517	8248	5313	6615	10020	7789	0	4644	5324	10105	6123	3345	4409	7542	0	1397	6875	4610	3093	24223	12952	3115	18295	9324	16367	0	4999	7280	0	0	0	7086	3633	6693	0	10584	0	0	7036	0	Peptide	0.14285715	1.2142857	0.21428572
0	C14 H17 O2 N3	260.13934	260.13986	0.02224341	260.13937	6801	7427	7561	4832	970	0	5621	13328	1440	5602	3846	6714	0	0	8472	14906	11134	3789	4084	7786	9625	13595	7973	15294	5364	2844	2441	7038	9098	5100	6971	8625	10326	7044	6173	9090	6299	7723	11052	8538	8211	4410	0	0	0	5493	4636	0	7532	6812	6231	6313	3723	0	1235	449	2428	20738	2449	3959	32979	3429	0	1222	4064	1708	4486	12944	1153	3906	1660	8774	6430	6281	2754	8283	0	4864	11632	7589	8213	2336	6047	4210	950	3308	10861	5672	5907	22583	5702	4467	27189	6349	4044	0	8214	7865	1200	0	0	5625	3993	8170	2958	13386	682	0	10238	1834	Peptide	0.14285715	1.2142857	0.21428572
0	C11 H21 O2 N3 S1	260.14273	260.1429	-1.0786521	260.14246	0	0	0	0	0	0	1421	0	0	0	1448	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	933	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24551	0	0	0	0	0	0	0	0	0	0	10943	0	0	4056	0	0	0	0	389	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.18181819	1.9090909	0.27272728
4	C12 H21 O5 N1	260.14926	260.14972	0.10651858	260.1493	33827	36253	33326	34668	37416	25508	25269	35104	34222	17158	11066	19464	82425	15469	26117	55738	30799	95838	78336	20905	16156	59638	35372	37847	44809	3796	25474	9940	27147	20664	27162	29644	40718	35772	22117	27615	46052	26433	37126	14973	13277	20604	1557	514	527	21983	20148	484	33857	26292	34624	31134	26539	880	45683	32494	13819	96457	18014	17196	56251	9800	110968	31205	10269	48775	17882	34647	6114	12396	5540	40772	30009	24348	13673	20450	376	18519	46712	13941	16454	11374	14280	6588	24326	16780	73626	24104	29301	56049	45150	44931	193070	12952	15771	738	30182	34147	27984	31788	34083	31019	19208	25847	12024	43868	28871	619	30917	141872	Lipid	0.41666666	1.75	0.083333336
0	C12 H21 O5 N1	260.14926	260.14975	0.00444071	260.14926	72048	71913	78017	68161	26743	39847	30565	133114	22863	13365	7574	45512	28176	16193	42884	96238	174517	88653	90306	14067	27554	74235	56017	81726	57833	2646	26846	6905	162320	60814	119800	123426	355796	52237	29827	138584	129671	37765	192056	12590	5921	70463	0	340	408	25243	7503	312	150931	63085	72143	60868	68898	399	37246	12209	13777	310589	11246	5312	226108	3838	28718	28057	43790	25525	101987	233358	6147	25493	9556	46869	119650	92477	42476	146502	392	37945	68859	24482	42046	5195	5877	3363	17222	27648	158750	43423	118941	174803	72798	35700	155119	10713	5595	693	70448	77744	12148	12965	15331	101332	28257	11835	5336	215914	16380	343	63618	53466	Lipid	0.41666666	1.75	0.083333336
6	C12 H21 O5 N1	260.14926	260.1497	0.13789152	260.1493	34690	36777	34170	38011	28542	22936	27563	42738	27835	21773	14018	24182	50296	17521	36530	89649	37953	48125	44974	26084	24536	38181	45145	37190	35985	7649	23366	11260	43411	35668	31461	34944	46476	37416	28845	35251	47011	28145	41265	15335	21129	29448	1040	553	874	24196	27516	376	45490	36712	37951	34468	25213	1531	41401	29746	17050	88612	17106	27270	96703	9096	36886	25635	14814	42081	28289	43921	8933	14877	8532	33665	29237	35011	26653	28353	527	22911	36193	16130	20948	16978	31045	17109	39388	28007	46247	23654	27632	68757	30936	40181	67330	15092	16609	807	37086	42529	20906	37083	49055	47755	21818	36065	11812	38104	35825	564	41563	46575	Lipid	0.41666666	1.75	0.083333336
10	C12 H21 O5 N1	260.14926	260.14963	0.11059896	260.1493	79766	77460	83467	69181	88515	81847	178403	93767	49342	49027	32587	68018	107045	323282	67979	132530	147385	126646	114875	64020	61673	41718	71091	69423	74078	110809	128414	48190	129965	106491	68416	101048	112139	109628	48174	133244	108486	54134	138042	20006	41201	90270	25653	1094	1828	57939	55070	1467	107609	88765	78322	82336	65019	31654	68340	88063	37268	130431	33321	70447	140174	18509	105466	47175	231642	119466	127884	129496	24903	31817	42021	81697	95867	107405	101525	99741	928	53896	57021	48694	41188	55147	447188	326985	91142	68307	87391	80260	75908	67899	76272	77994	72390	30263	48702	5529	87614	114460	60213	70638	108160	120219	57525	62590	26456	69159	91103	1441	59073	111734	Lipid	0.41666666	1.75	0.083333336
8	C12 H21 O5 N1	260.14926	260.14966	0.08825782	260.14926	69144	66007	57660	65354	733187	103737	79707	59311	36096	27860	25055	42842	80671	80312	45494	102521	85692	77578	88227	40436	31405	34262	46080	55233	43541	32518	70245	24930	78585	67104	46771	68565	65007	68443	33612	73668	63613	38697	93646	18833	32213	57977	9402	621	947	37657	38911	745	69542	58608	58422	66665	317583	3136	59445	56396	38901	79189	20128	40628	98451	11089	73437	38364	110810	81084	55642	74941	18783	16833	20070	49010	64136	67890	66143	67177	674	37727	48610	32506	29028	37337	167028	137959	70441	44053	67199	47627	53246	66224	47020	60624	60836	20226	25067	1632	62852	77019	86086	66035	89756	85066	39277	51417	14206	49575	511445	633	43426	64752	Lipid	0.41666666	1.75	0.083333336
16	C12 H21 O5 N1	260.14926	260.14963	0.15954253	260.1493	28285	27118	29584	27444	31197	35186	31584	34712	16315	5092	13871	16618	36983	99271	30652	41627	36255	41642	36710	6539	6128	13050	28837	30667	53731	1454	25214	46953	48999	43054	38084	40323	46864	46940	7554	45257	39231	19261	25963	4184	3130	37000	6748	2298	2164	12632	7847	1578	35773	33145	26270	27236	26337	5907	24106	20491	15924	46066	14268	9355	40078	3059	25763	15437	23443	34383	43067	26449	3682	2368	2026	41015	46440	56594	26313	38146	1623	20518	19037	30578	11644	12170	14434	12093	21765	21649	26053	24268	33240	0	49704	46516	35663	54717	8645	2770	25261	28728	22353	17517	32622	48720	20747	13343	834938	28167	31291	2699	31902	24204	Lipid	0.41666666	1.75	0.083333336
12	C12 H21 O5 N1	260.14926	260.14963	0.1405483	260.1493	53912	47950	60380	55440	90765	83036	131442	103168	53734	25076	18343	48315	101731	127301	69625	93473	124834	141742	136025	49405	48201	32889	69733	47296	83393	52228	36979	60529	152146	63827	79307	65839	117520	100156	34333	96461	70791	66310	121182	16656	22076	77207	16389	2199	2608	50749	35053	1838	78534	66052	59134	44208	83868	21601	79222	46657	47560	103913	29297	51996	79401	13790	95318	46873	108630	128191	110659	94950	18962	22781	25380	60222	85712	94952	54773	66030	1275	60444	51219	53937	36042	41251	165527	168318	89389	89913	94629	58383	85045	64610	94833	77814	69872	23687	27079	4118	54776	72691	49058	56128	83509	78405	52356	27177	25036	68770	69818	1812	64383	102513	Lipid	0.41666666	1.75	0.083333336
2	C12 H21 O5 N1	260.14926	260.14975	0.10540349	260.14926	66024	71613	60147	125164	172162	88857	33639	131032	126070	36106	19477	128382	263988	44861	94518	435258	95348	216516	194248	42484	92948	74584	89240	121440	99164	3698	21980	16929	176808	59792	141090	165340	236548	204818	112972	143050	198544	82250	122526	33726	16876	50211	1808	370	467	31770	36048	337	200782	43071	62317	130954	151332	518	155530	71954	49234	267218	50310	36604	160538	11186	209654	130212	34110	201628	141042	135594	7346	20800	11437	99254	210738	71066	171606	131578	280	81258	111996	15346	39562	11947	14733	8337	75406	58450	167556	120536	172828	177686	88594	96588	250042	39784	23689	721	132146	64049	40649	89174	86254	160130	113804	50092	12188	174264	118712	476	70370	318426	Lipid	0.41666666	1.75	0.083333336
0	C13 H17 O1 N5	260.15057	260.1509	-0.23543012	260.1505	0	0	0	0	0	0	13658	0	0	0	0	0	0	0	8574	13493	0	0	0	0	0	0	0	0	15225	0	0	2512	0	0	0	0	1754	0	0	0	0	23251	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9676	0	0	10792	0	1388	0	0	0	0	0	0	0	0	0	0	0	0	18435	1979	0	0	0	2276	0	0	15376	0	0	8185	0	0	0	0	0	2529	0	2851	2293	0	0	0	1022	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.07692308	1.3076923	0.3846154
2	C11 H21 O4 N3	260.1605	260.16098	0.15874347	260.16052	52978	53254	50162	53786	8820	38021	8748	20413	9889	13450	41258	12753	13457	8042	18170	18880	48632	18918	17366	10179	7725	17272	12119	21638	14744	783	6713	315412	32996	20182	28404	42282	33064	37005	9660	41073	33373	14934	61372	4493	3021	34444	210	0	0	7514	3257	0	37409	14577	52399	56010	14116	0	12190	6412	6777	33512	2916	2374	17251	1488	14478	8910	9661	20531	23039	42562	2232	4880	5289	14867	33681	24285	47344	22910	0	14022	8166	947064	7585	1954	2892	1211	7649	8490	12814	16877	28810	26024	1001008	705077	28474	192841	6648	0	54852	50973	9969	6631	7590	32080	15160	13185	2137	24961	6150	0	9743	23428	Peptide	0.36363637	1.9090909	0.27272728
20	C16 H21 O2 N1	260.16452	260.16483	0.16786937	260.16455	17296	14407	15992	12487	5007	4029	14382	10865	3478	30937	31998	10615	0	5398	9280	17191	21291	5011	5765	30802	39321	18266	4988	9784	6559	82888	12164	31465	18504	15744	11340	29873	17804	20000	27364	18814	16449	6011	25228	33934	70361	6849	1201	0	0	23522	33839	0	21818	11101	17966	15537	7296	428	4747	1374	4265	10946	7103	24226	11985	23657	0	2696	5604	4669	7389	26807	68096	63199	113991	8807	17319	13985	29272	22813	0	6322	5959	28934	5088	13273	13719	38641	2915	2550	6748	8781	8025	26477	21524	23210	15071	33482	28388	0	16967	10761	3574	1746	1750	25558	9605	18628	16210	12543	9120	0	6253	2398	Phytochemical	0.125	1.3125	0.0625
8	C16 H21 O2 N1	260.16452	260.16492	0.10241914	260.16452	48527	50922	42064	43259	16221	16369	21225	55506	7186	125653	81968	33211	3035	13425	43099	62828	52162	12484	20122	172878	155879	25448	22786	46758	26020	116584	30865	71850	49416	37069	105703	50678	62563	50272	144345	42011	67628	35550	53211	62875	26190	18013	0	0	0	29195	29176	0	68630	52210	46223	44504	15531	0	8511	1658	10432	53308	0	5777	53858	23056	4218	6898	7902	13304	22176	87370	66718	102084	126732	57422	43402	34647	47705	46408	0	32361	22593	37761	21634	3551	1439	56431	4461	6189	20675	20180	22096	132343	53802	0	102134	36266	80869	0	47957	43715	6673	2244	2065	63597	29198	22656	12047	47161	6031	0	23084	7035	Phytochemical	0.125	1.3125	0.0625
22	C16 H21 O2 N1	260.16452	260.16486	0.22996807	260.16455	3855	6380	5256	7663	4290	3852	1082	3974	1665	12334	12047	4716	2655	0	1940	7352	9118	3119	3307	9216	9078	10321	3096	4722	2763	36735	2515	11544	5044	5449	6929	7519	7570	8849	10233	5407	8387	2877	7432	14869	21252	1983	0	0	0	9418	19146	0	10363	5742	5105	6356	4514	305	2915	0	2184	5433	2206	5761	4546	7130	0	1558	1624	3535	4133	8652	32067	18943	40803	3612	6001	5225	4825	5226	0	4091	2900	14208	0	6167	4995	11189	2037	3571	4662	3389	3431	13705	9611	7694	7046	7320	9853	0	6008	5491	3255	1753	0	5231	3683	4006	8274	6074	2731	0	5290	0	Phytochemical	0.125	1.3125	0.0625
6	C16 H21 O2 N1	260.16452	260.16495	0.10340481	260.16452	71453	82975	71254	74062	19122	27629	159275	93745	15289	174976	90980	82740	7211	24661	43903	124616	61713	23445	37481	210282	199336	50947	40097	104668	47330	105128	225704	101941	79772	86015	90318	109821	111567	95669	203942	87207	109808	63178	78726	69242	23021	25471	0	0	0	40701	34506	0	130093	76901	77996	75495	28281	0	14228	3576	12242	126208	0	2156	145553	29541	9849	12200	12836	18455	32613	111679	59880	116097	129893	121375	88459	89160	85673	87261	0	71062	32203	43973	32929	3341	3764	68048	5358	10101	38069	32803	37266	153309	81952	7621	159869	54206	144502	0	72442	59765	8929	2788	3788	101417	82963	45089	14638	109733	7449	0	36543	11638	Phytochemical	0.125	1.3125	0.0625
4	C16 H21 O2 N1	260.16452	260.16498	0.07484987	260.16452	78235	88279	76746	78198	9147	19966	65191	227079	6423	114161	53672	98346	4611	9765	91840	287068	108793	15049	26106	137979	136295	56052	79667	177240	108197	65496	85461	66720	99717	84582	104362	114126	119247	109088	116454	119296	109924	69447	118408	62337	23928	24750	0	275	0	51530	34507	0	147457	195666	74955	57728	18725	228	8347	2192	11279	204221	482	2128	241268	27621	4777	9850	13167	17958	27067	150881	36025	82449	78574	119656	97324	124519	148614	90674	0	96521	54382	43628	70189	3884	4931	55760	4840	10762	47101	34687	34927	156684	74750	10488	307028	38328	97438	0	74521	77946	4858	2023	2503	105991	60572	66895	17650	196167	3298	0	86137	7885	Phytochemical	0.125	1.3125	0.0625
12	C16 H21 O2 N1	260.16452	260.1649	0.10388064	260.16452	18138	16277	16318	16878	7375	5934	6954	24540	2964	48209	31158	7690	1695	3193	7373	27826	22694	3709	10250	63409	62802	10303	7892	21081	8362	44346	11070	31758	20406	16891	15436	20354	24517	20750	59225	19341	21265	8495	24010	23496	29575	7782	379	0	0	8725	15877	0	24175	16030	23736	15355	6851	0	3425	1424	4233	21377	0	7190	15796	6973	3357	2292	3441	6697	11419	27106	23074	43651	60870	16173	15567	19717	25060	17025	0	9437	11320	0	8815	1947	1622	21009	3849	2050	10774	9521	9552	35243	28963	3613	26626	18112	38364	0	17674	20580	2251	1150	1952	16996	8552	10452	0	15701	1975	0	8661	3087	Phytochemical	0.125	1.3125	0.0625
2	C16 H21 O2 N1	260.16452	260.16498	0.0778745	260.16452	154892	150876	130129	137262	4128	34192	77622	364497	2176	61103	24665	65555	1205	3895	60323	290701	393809	11961	19558	81494	62335	32180	46089	313559	119061	17287	119585	19021	521086	288079	210740	516091	211514	443068	61146	454880	243120	53643	377217	48719	22875	156194	298	0	0	42100	21407	0	687475	283419	125446	142231	26714	0	3508	1094	9517	218896	593	1613	225070	19066	1646	3930	9398	16440	135118	658465	11250	26828	56005	225771	259269	180178	926871	245326	0	70510	55314	22652	62036	3847	7216	35356	1848	11940	39105	50535	97759	95018	45169	8162	128026	20889	77761	713	136652	149120	2659	615	1348	252514	55231	76714	10959	129863	1231	0	87276	2108	Phytochemical	0.125	1.3125	0.0625
10	C16 H21 O2 N1	260.16452	260.1649	0.12131915	260.16455	34694	32760	29476	27062	11542	12998	14873	25957	5577	130735	80644	16254	2975	11426	13613	33265	26307	9300	17581	143083	163382	15322	12315	31804	12610	81754	19168	79944	22169	24588	23066	33661	34461	32183	137152	27541	41782	15882	28670	55743	27756	13683	478	0	368	19822	24234	0	31045	30043	28567	33296	9552	0	6966	1576	4763	31197	0	7605	29052	14084	3558	6159	5013	9596	17055	50604	49877	95397	105460	31325	26855	20750	28033	24457	0	12914	13524	23954	11828	1827	0	41916	3353	3751	11452	14589	13442	43252	47288	3341	40190	29202	91427	0	30323	25812	6127	1644	1376	34351	11849	13956	0	23016	4612	0	12729	4960	Phytochemical	0.125	1.3125	0.0625
16	C16 H21 O2 N1	260.16452	260.16486	0.19668937	260.16455	9467	10571	7389	9185	2232	2540	2866	4804	2494	19025	19401	3979	2230	2632	4434	10568	7975	2004	4857	25820	31145	12002	3357	6134	2922	58343	5392	20464	4046	6579	5187	5659	5875	5277	18441	6330	2949	3350	11036	23405	41656	1744	0	0	0	12225	17125	0	4390	3289	10186	8896	4477	0	0	0	941	8108	0	9548	0	14699	0	2758	1043	4046	2086	11553	39460	50140	76515	6937	3510	3197	7267	5396	0	2575	4497	13216	2124	6026	4828	18310	1371	1793	10418	4204	2990	33437	15899	9163	0	17580	18366	0	7528	11478	0	1140	1506	5053	3100	5533	6171	0	2596	0	3810	0	Phytochemical	0.125	1.3125	0.0625
14	C16 H21 O2 N1	260.16452	260.16486	0.19845042	260.16455	9580	11712	6332	8787	3578	3007	6350	12292	1425	19103	14039	4687	0	0	4068	8806	12253	1769	6127	27206	18512	9160	2777	7494	6258	32783	6225	13033	6377	10920	5817	11130	8071	9344	22180	9575	7969	4099	14150	19237	23742	3136	0	0	0	6092	14926	0	13229	9195	9968	8402	4110	0	0	0	2348	9455	0	0	0	5495	0	0	1908	2513	3705	15082	15372	28490	45660	7854	9106	5464	10458	7887	0	5377	5501	0	4309	1706	4011	14827	1181	0	5596	5949	4603	25433	11262	2684	15619	6267	17335	0	14347	3168	1406	0	0	7995	4578	4607	0	6291	0	0	6481	0	Phytochemical	0.125	1.3125	0.0625
18	C16 H21 O2 N1	260.16452	260.16483	0.13820133	260.16455	23154	19004	18959	17179	8154	4067	6237	5381	3044	51349	56850	4406	0	4401	3793	9148	18994	5088	7550	59227	65185	30216	3766	6995	2603	119727	5942	46662	8699	6899	6995	7352	8277	8963	47903	7935	10965	3901	19189	52613	108311	3440	333	0	0	23962	50840	0	10166	5564	14580	15569	4187	0	0	1753	1971	12659	6302	23331	8856	32220	0	2519	4053	3636	6749	18886	102618	102924	174249	5525	4412	4662	15029	7672	0	3119	6461	39768	4832	19945	11621	42789	0	3223	6066	4831	3145	24074	23335	21998	10032	41752	46155	0	17895	15903	3970	0	1955	9309	4655	15328	16789	7150	2385	0	6350	2905	Phytochemical	0.125	1.3125	0.0625
8	C13 H25 O4 N1	260.18564	260.18604	0.10629311	260.18567	9122	11325	13108	10187	5994	6323	8199	23818	5095	4660	3321	5663	3818	8856	14910	35854	10273	5587	6744	3830	4848	9469	78212	271717	34320	773	8392	5929	13242	7941	9038	9646	19689	6515	4757	9779	17022	8263	8552	0	728	4306	0	0	0	47814	1663	0	9787	7314	11131	10987	6703	0	4962	2359	3828	29439	0	0	34918	0	5584	1912	3437	8759	6301	12121	0	3934	0	9822	6580	7515	6101	7098	0	7818	16294	4087	41492	13004	815	2622	2623	5219	21528	4857	4603	38330	23315	8085	25964	2123	2248	0	9716	14173	3648	2684	4866	24669	5131	2485	0	28928	4274	0	20735	8357	Lipid	0.30769232	1.9230769	0.07692308
16	C13 H25 O4 N1	260.18564	260.18594	0.18883592	260.18567	0	2145	0	4023	0	3213	14182	2786	0	1918	0	0	0	16144	0	4670	5200	0	0	0	0	0	0	0	1884	1645	11259	5365	0	5238	1832	3223	0	1752	1782	3917	0	0	3382	0	0	3873	4858	317	1005	0	0	0	2572	3952	2978	3414	2014	3799	0	0	0	0	0	2854	0	0	5189	0	12410	5845	4838	7115	0	0	0	1821	6105	6812	5043	3531	585	1171	2521	17841	0	0	11165	11294	0	2428	8594	2418	2539	0	47790	19177	0	6072	1642	590	2144	4319	1699	0	1677	3864	0	0	0	0	1022	417	3384	5652	Lipid	0.30769232	1.9230769	0.07692308
4	C13 H25 O4 N1	260.18564	260.1861	0.10421661	260.18567	10624	11416	10810	11166	109695	15559	10355	15040	6123	3555	2889	5477	13381	10132	13104	19366	10677	8731	8748	4454	5126	6922	6628	16632	15112	2579	8091	6229	12005	9044	10006	10437	14674	8874	6979	11028	13474	7008	10666	1996	1326	5617	1012	0	0	4007	1303	0	13126	9549	9561	9970	74138	0	7064	4455	4261	17948	992	612	13994	1832	7447	3852	4456	12801	7678	7762	1982	3192	2412	10562	10510	14909	7290	7668	0	8305	6886	6050	4388	1714	1779	5465	7130	9348	18143	3374	6399	11775	24661	17251	16325	2697	2537	0	10353	12415	14426	6532	7372	13545	5164	5540	0	11875	58930	0	6728	19360	Lipid	0.30769232	1.9230769	0.07692308
2	C13 H25 O4 N1	260.18564	260.18613	0.082358025	260.18567	32271	33543	29682	28545	14888	14977	15248	104971	9758	14492	5719	35379	15046	33063	13876	49154	24129	16958	16621	18220	12908	16067	8885	12335	11626	3129	23622	5337	58323	51595	81303	51817	66112	50741	19282	52116	89070	8770	34453	6181	4821	10895	4215	0	0	7111	5486	0	90768	93379	30105	31625	12177	0	12039	8089	6774	46293	3913	3116	46421	2112	16766	9584	13477	19743	26009	36018	3804	8985	4828	112169	50997	46832	47629	53066	0	22817	7737	8611	5182	4389	3795	4170	6886	6721	17653	16122	18435	18057	24540	21767	24683	4218	11335	0	31928	32927	8621	7020	8323	83341	30773	18762	4634	24577	9363	0	7680	19499	Lipid	0.30769232	1.9230769	0.07692308
14	C13 H25 O4 N1	260.18564	260.18597	0.12598024	260.18567	2855	3996	3235	2078	3299	2437	6081	4293	0	0	0	2512	2628	10393	1735	7548	25453	0	0	0	0	0	3353	4232	2214	2495	6212	0	5094	5068	2326	0	13119	3446	0	5527	8474	1998	32610	0	0	1271	0	0	0	0	0	0	4505	4343	3239	3328	1531	405	0	2323	880	4216	0	0	0	0	4465	0	10887	2362	4613	29633	0	0	2049	6792	5611	7771	3940	3564	0	1601	3593	0	1760	1875	5591	9499	2340	14030	13946	0	1510	32808	11071	0	7739	0	0	0	1746	2734	1466	3169	7331	11176	3898	0	0	4667	2185	0	1746	0	Lipid	0.30769232	1.9230769	0.07692308
20	C13 H25 O4 N1	260.18564	260.18594	0.14621389	260.18567	5749	5706	6491	3961	0	0	14972	16128	0	3024	2603	7138	0	57056	5234	11464	3338	0	1826	0	0	0	3895	12492	2659	0	14107	7461	14390	15014	15834	18448	18776	27380	0	21845	15189	3167	4385	0	0	4176	4377	0	934	0	2197	0	13589	8722	7395	3216	1857	1221	0	0	1954	14307	0	1472	18121	0	9668	1779	21090	3905	13605	3691	1489	1888	0	10838	16482	16446	6655	13002	958	4993	1610	21534	2049	1942	10285	0	1396	10463	3585	3142	2362	6159	34368	15949	3362	3999	0	713	4354	6181	1695	0	0	23992	4298	1843	7167	9555	0	0	0	2772	Lipid	0.30769232	1.9230769	0.07692308
0	C13 H25 O4 N1	260.18564	260.18607	-0.10702209	260.1856	2523	2387	2680	0	2277	0	10510	2325	1797	2180	1922	3708	2258	10542	2075	0	35496	3093	2281	0	3732	2245	2234	0	0	1615	0	2847	2726	0	3088	2013	37810	4211	5459	2222	3384	3343	52668	1773	1855	3080	3715	0	0	0	0	0	1993	0	2510	2913	3914	0	2190	1416	1837	3901	1653	1653	2069	1255	0	1931	6467	3269	5265	45317	1556	2087	2038	2238	2498	0	0	3030	0	3106	3325	2209	1116	1207	2227	4112	2189	1901	6924	4091	2258	5966	4983	5516	2681	2941	1873	0	2878	4455	1649	1533	2590	2023	2646	0	1196	3548	2427	0	2638	2521	Lipid	0.30769232	1.9230769	0.07692308
6	C13 H25 O4 N1	260.18564	260.1861	0.162612	260.18567	17664	16850	17806	15250	12754	6807	12971	18975	5086	5208	2195	9286	6932	7746	29753	38210	17291	24759	8836	5021	2802	12005	13793	20405	12852	1883	23609	44265	21150	22355	17061	27366	35861	17962	12954	17484	28723	16589	15716	0	1561	7895	0	0	0	7012	4981	0	28287	10072	17201	15835	19487	0	5563	6769	8666	54132	953	0	24226	0	16467	5496	10193	12574	18698	32953	2306	3046	3719	14601	25593	16514	16304	18988	0	14165	14860	3313	12468	1558	1652	1540	3707	52133	40293	22708	12370	44245	20022	11270	34179	1221	2266	0	16248	15419	16194	3191	3949	29037	12356	7674	0	22318	7253	0	10498	5822	Lipid	0.30769232	1.9230769	0.07692308
18	C13 H25 O4 N1	260.18564	260.18594	0.18059884	260.18567	6305	7485	7217	6831	5622	5945	25161	17281	0	3706	2959	1651	2421	27325	2616	7368	8026	2283	0	0	0	3026	14958	40382	1961	2489	21491	10989	5146	16837	10069	5683	10269	7582	0	5357	3994	2510	4566	0	0	6022	5845	436	961	9590	2620	679	6299	22532	5066	5979	1561	4872	1791	0	1649	10562	0	3206	9335	0	30615	1484	31839	10154	5894	6399	3148	2000	0	31293	8276	16844	5463	13312	1025	1864	3726	21177	4546	0	13220	15498	1602	4469	13801	3568	3895	36796	32057	8313	25299	2202	1691	915	5913	4281	1864	0	2450	3456	1463	2883	3506	19128	0	683	3187	5991	Lipid	0.30769232	1.9230769	0.07692308
2	C12 H25 O3 N3	260.19687	260.19733	0.107658245	260.1969	4664	5397	4992	4222	2160	0	521	6462	622	1014	0	3048	968	710	2338	2431	898	2433	1601	0	366	1414	440	1492	467	0	0	11833	11249	13689	13920	5862	7384	6798	1852	10546	5510	394	1369	0	0	0	0	0	0	0	289	0	5170	2066	3020	6863	2391	0	1113	785	378	3869	0	0	1644	0	1709	1050	0	4278	2552	1593	0	0	0	5988	124851	9103	999	20471	0	8594	585	39844	428	0	0	0	580	523	936	5558	4329	2938	19285	10085	1658	31143	0	0	4097	3642	2314	556	316	3042	3936	0	0	1149	500	0	770	2226	Peptide	0.25	2.0833333	0.25
0	C12 H25 O3 N3	260.19687	260.19733	-0.05118526	260.19687	5609	4942	4659	5501	3073	108662	1450	3823	1514	1248	7437	0	1707	5708	1336	0	5376	3280	3182	0	682	1557	2904	0	4882	0	0	248512	7144	0	3814	2920	15006	3124	2457	0	3261	2306	6774	0	0	6991	0	0	0	0	0	0	2050	0	4721	3082	4561	338	1741	1248	1656	7350	0	0	1862	0	0	1298	4981	2556	7771	3206	0	0	0	2181	2825	0	0	0	0	2058	1253	410057	1812	0	0	0	1513	1573	2607	4017	4432	4375	137544	71697	3321	31158	0	0	4569	4925	1846	548	1012	1890	7751	0	0	4372	1608	0	1312	2099	Peptide	0.25	2.0833333	0.25
8	C12 H25 O3 N3	260.19687	260.19727	0.14188269	260.1969	24108	33653	32470	29265	0	12516	134900	7071	1634	13101	53198	125699	0	0	167730	5040	21927	2139	2345	4154	2484	0	2000	0	47501	0	157700	69074	62705	44218	60791	63813	155051	66164	7347	88343	179607	157502	31899	0	0	67271	0	0	0	0	0	0	47458	8693	29156	26716	16637	0	0	0	134686	16711	0	0	6508	0	0	4544	92785	9252	20437	18694	5289	1849	5743	16097	73643	55802	48712	57991	0	271516	2766	0	2578	0	1917	0	1640	86823	1958	122261	54523	0	0	0	0	0	0	0	27410	31766	10966	0	0	183078	175250	4027	0	4830	0	0	45898	941	Peptide	0.25	2.0833333	0.25
8	C15 H26 O1 N1 Na1	260.1985	260.1988	0.635612	260.19864	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1188	2462	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4210	0	0	0	0	0	0	0	0	0	0	42060	25901	0	0	0	0	0	0	0	0	0	993	0	0	0	0	0	0	0	0	Lipid	0.06666667	1.7333333	0.06666667
24	C17 H25 O1 N1	260.2009	260.20135	0.25009808	260.20096	0	0	0	1408	0	0	0	4273	0	0	0	0	0	0	0	2618	0	0	0	0	0	0	0	2982	0	17237	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1290	0	0	0	0	7088	12444	0	0	0	0	1148	0	0	0	0	0	2727	0	0	2786	0	0	0	0	0	0	0	7266	2226	4835	0	1337	1532	1353	0	0	0	0	1571	0	4569	0	1692	0	0	6729	0	0	25649	0	0	0	0	0	0	1229	1320	0	0	0	0	0	0	5346	5326	0	0	0	0	Lipid	0.05882353	1.4705882	0.05882353
12	C17 H25 O1 N1	260.2009	260.20132	0.20106077	260.20096	0	0	0	1324	0	0	0	2114	0	0	0	0	0	0	0	4299	0	0	0	3576	3669	0	1299	2923	2220	4634	0	0	0	934	1324	0	2158	2629	1509	1932	2940	0	0	0	0	1660	0	0	0	0	0	0	0	0	0	0	897	0	0	0	0	4322	0	0	0	0	0	0	0	0	1200	0	0	1331	4384	0	1652	1118	1791	1443	0	0	0	0	0	0	0	0	0	0	0	1372	0	30039	0	0	21917	0	2794	0	0	0	0	0	0	4137	0	0	0	3000	0	0	0	0	Lipid	0.05882353	1.4705882	0.05882353
6	C17 H25 O1 N1	260.2009	260.20132	0.11488117	260.20093	20762	19148	17402	19574	0	1786	22487	31045	0	16853	9681	16607	0	361	10842	37586	19105	871	3397	21249	18041	5135	13705	33338	7994	3620	34085	12015	20915	24498	29190	31294	34047	27433	15407	24836	36072	21283	23521	7478	0	5061	0	0	0	7121	5249	0	37844	25229	18547	20129	3516	0	0	0	1982	55669	0	0	58472	2085	0	0	3163	1006	5476	54378	1976	4631	5083	35397	24163	30585	45313	26625	0	15871	14551	3603	19138	0	0	8748	0	0	16505	7510	7791	83925	20903	0	50988	8437	24881	0	17079	16145	0	0	0	27939	17770	3652	0	47246	0	0	21385	0	Lipid	0.05882353	1.4705882	0.05882353
10	C17 H25 O1 N1	260.2009	260.2013	0.15369636	260.20093	10972	11052	10853	10859	3857	13306	9851	44722	1177	9237	5496	19491	5169	14796	15569	25029	5237	0	3349	12287	9639	0	16755	35637	16206	6477	15281	9513	25891	42798	31749	27020	16205	24771	5910	16560	16681	14121	2504	2243	0	5069	0	0	0	4830	1811	0	41277	35661	12942	10636	3482	0	1824	1291	4898	21875	0	0	17895	0	1629	2624	2653	3820	8450	19247	0	7567	5412	43211	16611	16014	35554	22020	0	20315	7593	0	27532	0	0	2178	3306	1645	3655	3070	4359	30222	3815	0	25518	1783	8917	0	12944	9715	16910	5750	9712	12028	16929	0	0	13855	2253	0	11019	0	Lipid	0.05882353	1.4705882	0.05882353
8	C17 H25 O1 N1	260.2009	260.2013	0.15863822	260.20093	5920	7917	4693	7745	0	0	6329	18090	0	14608	9367	6150	0	0	6894	12441	4533	0	0	14421	13992	0	3844	21292	5608	7865	10590	16411	12184	10754	11523	14228	8077	14188	16801	11174	10413	4266	2444	4863	0	1456	0	0	0	2471	3275	0	11250	17349	2981	5799	0	0	0	0	531	12275	0	0	15903	1071	0	0	0	0	1694	11393	0	6374	4831	15580	14178	17581	11492	12038	0	6013	2596	3281	3632	0	0	5063	0	0	3479	2435	2396	14842	0	0	21506	3543	11868	0	5297	6147	0	0	0	8266	5156	1840	0	9434	0	0	3329	0	Lipid	0.05882353	1.4705882	0.05882353
4	C17 H25 O1 N1	260.2009	260.20135	0.073769644	260.2009	4250	4403	4513	4916	277	824	8625	45351	0	4212	3082	11924	0	0	21013	55254	13885	513	675	7901	6870	881	8445	36520	30671	1032	17355	0	16433	11310	14240	10799	10229	9926	4029	17576	10905	9070	9634	3085	0	2218	0	0	0	1994	1925	0	15010	36897	5726	4341	633	0	0	0	863	11743	0	0	29484	1921	0	0	1222	339	2400	13918	0	1333	0	14515	8961	17326	9975	8548	0	12142	5224	6546	6722	0	0	4235	0	1031	3008	2595	2619	8654	6250	0	42646	1453	7644	0	5300	6591	0	0	0	8329	7946	4791	0	17723	0	0	4970	0	Lipid	0.05882353	1.4705882	0.05882353
22	C14 H29 O3 N1	260.22202	260.22235	0.25245845	260.22208	13825	12944	12588	10211	0	3174	0	0	0	0	0	0	0	0	0	1426	0	0	0	0	0	0	0	0	16689	3857	0	1539	2677	0	0	0	0	0	0	0	0	1122	0	0	0	15037	0	0	0	0	0	0	0	0	10755	11942	1714	610	3131	0	7393	0	0	0	0	0	0	0	348644	0	2174	0	0	0	0	0	0	0	0	0	616	0	2774	5591	2225	111620	2870	3339	4432	2764919	0	4229	1608	0	0	0	0	0	1905	0	11224	13656	29680	0	2602	0	0	0	2670	0	6244	0	243766	0	Lipid	0.21428572	2.0714285	0.071428575
6	C14 H29 O3 N1	260.22202	260.22232	0.089354865	260.22205	0	0	0	0	0	0	0	0	0	0	0	0	0	560	0	1185	0	0	0	0	0	0	575	0	0	0	21037	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	399	0	0	0	0	0	0	0	0	640	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2414	0	0	2390	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21428572	2.0714285	0.071428575
18	C14 H29 O3 N1	260.22202	260.2223	0.18948948	260.22208	1713	4730	3190	3798	3968	0	0	0	0	0	41253	0	0	0	0	0	0	0	0	0	0	0	0	0	1637	1538	0	259564	0	1739	0	0	0	0	0	0	0	1188	0	0	0	4179	403	311	0	3703	0	0	1973	0	4462	3260	0	633	0	0	0	0	0	0	0	0	0	0	236371	0	0	0	0	0	0	1186	0	0	0	0	295	0	0	314076	0	1217	0	0	0	74669	0	0	0	0	59374	0	0	30040	9802	0	4381	3449	0	0	0	0	0	0	0	0	0	342	4799	0	Lipid	0.21428572	2.0714285	0.071428575
26	C14 H29 O3 N1	260.22202	260.22232	0.28764737	260.2221	0	0	0	0	0	0	0	6260	0	0	0	0	0	0	44728	0	0	0	0	0	0	0	0	0	0	0	0	0	5651	0	2265	0	0	0	0	0	0	49904	0	0	0	0	0	0	0	0	0	0	2759	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21428572	2.0714285	0.071428575
4	C13 H29 O2 N3	260.23325	260.23373	0.09562917	260.23328	2631	2077	2310	2118	0	12832	0	1392	0	0	0	0	0	0	0	3638	0	9398	1910	0	0	0	0	6049	0	0	0	0	4548	906	2527	0	24721	42887	0	3649	21027	0	0	0	0	3510	0	0	0	0	0	0	9814	647	2418	2637	2027	0	0	0	0	5563	0	0	5736	0	0	0	0	4023	5145	0	0	0	0	7671	8427	895	0	652	0	0	0	0	0	0	0	0	0	0	0	77265	13615	0	0	0	0	0	0	0	2419	2183	0	0	0	10044	0	0	0	6561	0	0	0	1384	Peptide	0.15384616	2.2307692	0.23076923
16	C15 H33 O2 N1	260.2584	260.25882	0.1923175	260.25845	0	0	0	0	0	0	8834	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1584	12702	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	787	0	0	0	0	0	0	0	0	612	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	605	0	0	0	0	0	0	36156	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13333334	2.2	0.06666667
20	C15 H33 O2 N1	260.2584	260.25867	0.32164893	260.25848	0	0	0	0	0	0	6000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6186	0	1691	0	0	0	0	0	0	0	0	0	0	0	0	0	489	775	775	0	0	828	0	0	0	0	0	453	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	904	0	0	0	0	0	0	74579	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13333334	2.2	0.06666667
14	C15 H33 O2 N1	260.2584	260.25873	0.005600076	260.2584	0	0	0	0	8799	0	11054	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6582	15933	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	563	0	0	0	0	0	0	0	6107	734	0	0	0	0	0	0	0	0	0	0	0	1848	0	0	0	0	0	0	0	0	0	0	704	0	0	0	0	0	0	51981	0	0	0	15610	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13333334	2.2	0.06666667
18	C15 H33 O2 N1	260.2584	260.25873	0.24781491	260.25848	3895	4079	3346	3935	0	0	14386	0	0	0	0	0	0	0	0	1373276	0	0	0	0	2275	0	0	1692	0	6990	20699	1970	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	568	0	0	401	0	0	3184	4040	0	1082	0	0	0	7718	0	0	25376	0	0	0	0	0	0	0	0	0	0	0	1267	1585	0	5651	921	0	0	0	0	0	0	100550	0	0	0	0	0	10492	0	0	0	0	0	0	3811	3156	0	0	0	0	0	0	0	0	0	433	0	0	Lipid	0.13333334	2.2	0.06666667
10	C13 H8 O6	261.03937	261.0398	0.2076669	261.03943	14051	13330	11752	10321	32301	18821	6309	4983	36638	4571	5965	7124	41763	17454	6307	8914	7074	40973	41160	6539	5058	13203	11011	8443	3117	0	8267	0	4261	4040	3979	5882	13575	4644	8639	3659	10762	8599	9976	3577	4603	14639	1238	0	1096	2288	2654	1361	5328	3062	16008	12145	19745	813	33345	29011	13545	10848	2592	3500	11872	2375	43926	32236	10786	37753	16378	11080	0	0	2272	4298	2524	1629	7608	4667	961	7601	16485	5213	14631	2792	0	0	32828	13983	15854	20832	19555	10619	0	1898	6611	9075	6969	1688	13381	13045	23019	37749	34595	11010	8183	0	0	7145	23307	705	3998	49066	Phytochemical	0.46153846	0.61538464	0.0
20	C13 H8 O6	261.03937	261.0397	0.220143	261.03943	6396	7712	3890	7811	19426	11441	5116	0	18274	0	2483	1591	21950	15794	5064	4337	2382	29689	23817	0	0	5853	7019	3309	3187	1405	5952	0	2750	2016	2853	2287	3085	1215	2626	0	5758	5314	2911	0	2063	5215	2129	1640	1800	3083	2787	2458	0	0	7606	7126	11788	1189	11891	13187	10248	2345	0	1483	2477	0	28839	13774	9201	26740	5868	2838	1706	2027	2864	0	1959	0	2600	1519	1376	2564	13166	2647	14457	1585	0	0	22973	10467	12089	10551	9383	2712	0	2182	4579	4430	2229	2233	3563	4518	10442	19907	20561	3715	3297	0	0	3863	6409	1145	6793	31568	Phytochemical	0.46153846	0.61538464	0.0
12	C13 H8 O6	261.03937	261.03976	0.19267075	261.03943	19769	27539	21858	19763	46874	28845	12499	8550	51887	11220	11312	14709	58181	32714	17019	18775	13744	80302	75496	9605	7245	18182	25220	15178	7246	0	13513	8727	10079	9000	9589	11066	20631	10652	15349	8386	19727	16659	14025	3280	6148	32209	1634	994	1469	7088	4860	1676	15031	10640	22599	21427	40521	662	48283	33796	30040	27933	0	0	0	4593	88200	52024	23166	70699	36042	13317	0	3095	2144	8346	8299	5146	16801	11716	892	11502	28119	16858	24402	8246	890	1574	49805	30642	37532	37966	35928	24854	9194	11324	15636	16114	17471	1322	24071	28678	36239	47332	51770	24449	14497	6608	0	17313	34416	801	10298	80642	Phytochemical	0.46153846	0.61538464	0.0
8	C13 H8 O6	261.03937	261.03983	0.23822448	261.03943	6254	6035	2625	7550	17860	7167	991	1430	16274	1398	1929	2458	23990	7233	2080	1857	1662	14760	18546	1845	2282	3955	4760	2756	846	0	1358	0	1429	1234	823	1145	4445	1201	3817	1479	3669	2696	2304	2903	3781	5174	0	355	943	2125	0	1033	0	1679	4081	5454	10356	724	16603	15853	7482	2014	1797	0	0	1446	30048	16362	4454	17484	5989	2442	0	0	0	1325	1102	894	1595	3789	600	2494	3873	0	4815	1983	1110	0	18700	6163	4282	10159	7935	2719	0	0	2270	4794	1998	1272	3679	5744	10341	25500	17776	4150	3012	0	0	2342	10590	425	1853	21277	Phytochemical	0.46153846	0.61538464	0.0
12	C12 H8 O5 N2	261.0506	261.05093	0.20264426	261.05066	9323	5966	4290	4491	5849	2615	5489	6809	4838	0	0	6747	5728	3255	4686	10102	10740	9416	9680	0	0	7786	7244	12132	3392	0	3040	0	6455	3411	7806	4563	11662	5033	1408	3442	9069	7599	13631	1600	0	5583	0	0	0	0	0	395	6201	4732	7225	8932	8443	0	8735	1973	5458	11526	0	0	0	0	7192	4967	3557	7738	6614	13822	0	0	0	3102	4833	2273	8474	4378	0	6935	6859	0	6556	1080	0	0	2937	3773	11274	8235	10685	55030	0	2115	27845	0	0	0	5295	6375	4038	1854	1921	5736	5796	0	0	12621	2852	0	4204	10775	Unclassified	0.41666666	0.6666667	0.16666667
16	C12 H8 O5 N2	261.0506	261.05096	0.21492863	261.05066	3841	3454	2395	1736	0	1835	1597	3134	0	0	0	5216	0	1000	4091	9555	7310	5419	5386	0	0	8878	5939	5880	1842	0	1157	0	2205	2101	2030	3431	3051	3172	0	2788	2270	4052	10351	0	0	3342	0	0	0	0	0	0	6030	2949	0	1955	3392	313	0	1487	1419	8148	0	0	7481	0	0	1996	3418	4600	3461	9261	0	0	0	4415	1267	0	2930	3694	0	2880	9515	0	2900	0	0	0	1327	0	10465	7285	4009	51448	0	0	0	1680	0	0	3085	3045	0	1521	1323	3954	3426	0	0	14009	0	0	4507	2819	Unclassified	0.41666666	0.6666667	0.16666667
10	C10 H12 O8	261.0605	261.06094	0.21419637	261.06055	3470	1742	2147	1738	12642	5945	0	1102	10332	0	0	814	18930	7587	0	1407	1510	12106	12775	0	0	0	1157	0	0	0	0	0	0	0	0	0	0	0	0	0	1708	663	0	0	0	3300	0	0	0	0	0	0	0	0	0	2754	5579	0	10447	7629	0	0	0	0	0	0	19401	9189	1819	14988	6067	0	0	0	0	1241	0	0	0	0	0	825	1763	0	967	0	0	0	7713	2182	0	3665	3408	0	0	0	1728	0	0	0	2619	2847	3365	7886	7878	0	1266	0	0	1078	6406	0	0	23802	Phytochemical	0.8	1.2	0.0
6	C10 H12 O8	261.0605	261.0609	0.25763705	261.06055	1541	1802	2388	1711	9564	4085	501	0	7198	0	0	952	20935	6982	0	1770	1004	12483	11570	0	0	0	1536	0	0	0	0	0	0	597	653	1181	2184	1067	748	1201	1168	555	0	0	0	2516	0	0	0	0	0	0	0	743	1588	1977	5442	0	7444	8218	1889	1029	0	0	0	0	15733	5026	3060	12466	3142	0	0	0	0	1128	1240	1368	0	993	0	1172	1272	0	788	0	0	0	8521	2678	771	3971	4132	0	0	0	0	0	0	0	1885	1831	5516	10676	13122	1771	452	0	0	0	8321	0	0	23339	Phytochemical	0.8	1.2	0.0
8	C10 H12 O8	261.0605	261.0609	0.23052378	261.06055	2743	4063	1775	2611	16440	7970	0	0	13242	0	1056	1469	28351	8675	1141	0	1334	11207	14789	0	1123	0	3920	0	0	0	0	0	1504	0	933	1389	1697	1044	1046	0	1824	954	0	0	0	5315	719	0	0	0	0	0	2028	1507	3394	3887	7944	0	10959	11954	4395	1677	0	0	0	0	28759	9486	3709	16372	5362	0	0	0	0	1283	1288	958	1283	1122	0	1206	907	0	798	0	0	0	12942	0	1083	5242	7604	0	0	0	0	0	0	0	2061	3002	9231	13445	15950	3164	0	0	0	1216	9703	0	0	27011	Phytochemical	0.8	1.2	0.0
6	C11 H13 O4 N2 Na1	261.08456	261.08487	0.36115873	261.0847	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	943	0	0	0	0	0	0	0	0	0	0	960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	481	0	0	0	0	0	0	0	0	0	23612	0	0	0	0	0	576	0	628	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.1818181	0.18181819
18	C13 H12 O4 N2	261.08698	261.08734	0.22956072	261.08704	8372	8219	12195	9408	5464	6388	5978	7739	4518	10016	9744	9983	4872	3803	10793	17254	21330	9168	13002	6015	4867	18438	9050	15484	6508	3431	10462	5194	5763	9604	6814	5911	16348	10532	5539	7396	21060	8537	20986	11657	17507	9820	1730	742	1235	3941	6267	1387	12429	7833	10605	9755	7464	1230	4549	4314	6149	20651	2650	9652	11332	6450	5133	4702	4958	9439	8600	27118	3184	3407	9704	9687	6634	2869	10658	6766	830	6288	15492	13123	13232	6858	5965	5840	4672	5568	17141	13610	9897	39523	11184	12465	25429	11840	12246	1406	10660	9148	5249	2777	3448	13455	7462	8631	3101	20000	3489	1239	20721	7403	Peptide	0.30769232	0.9230769	0.15384616
2	C10 H16 O4 N2 S1	261.09036	261.09085	0.15661053	261.0904	30726	27135	22961	25786	27095	40629	11771	29209	15736	2783	3510	24672	15041	45450	17581	1102	50306	27895	29196	1625	3245	26118	29962	4893	4296	0	0	7749	40989	1650	36965	25754	94772	74303	4925	33505	67272	16295	67315	1644	1545	18936	0	0	0	7744	1500	0	5425	4804	22334	31744	31838	0	12367	4405	19294	52944	2172	3186	2461	635	21666	9176	17576	81230	33431	97113	0	4291	3074	41838	50583	13502	542	31389	0	7611	21607	6039	30407	3339	2452	485	9524	17607	21747	40562	40973	50629	47544	40036	65892	4289	381	0	31001	25761	14678	4591	3431	4392	29060	2738	1221	51343	7599	0	33081	25157	Peptide	0.4	1.6	0.2
4	C10 H16 O4 N2 S1	261.09036	261.09082	0.13056104	261.0904	12731	11376	11711	11781	12987	11885	3836	12366	6222	0	3805	14079	6703	11534	9427	15470	69009	15126	12629	1603	1926	17459	25630	19753	5789	0	4879	3178	10263	8008	10269	17887	47195	22460	3451	13680	30761	8922	72144	1239	979	9658	0	0	0	3691	0	0	11424	8616	10708	10074	10171	0	6649	13132	5201	31011	0	2839	12397	0	8484	5255	17984	17653	10954	54350	0	0	0	12288	20892	9159	8012	11061	8476	9754	35027	5723	21485	4394	947	502	15622	8635	38262	15700	14588	35939	10198	7262	47641	2052	1297	0	8885	11371	57449	10437	10129	31368	13691	1733	0	41013	20987	0	9652	13206	Peptide	0.4	1.6	0.2
4	C11 H16 O7	261.0969	261.09732	0.15535237	261.09692	4518	4421	4187	4776	6722	7770	2100	5210	6031	2178	0	3003	11622	4084	2730	3615	4960	10488	8562	0	2110	4878	2842	5579	2150	0	2212	0	3720	3721	3148	3796	3996	5387	1947	4764	4399	2567	5510	0	0	5015	972	0	384	0	1661	0	4081	3611	4454	3834	6048	0	7334	7262	3597	6807	2118	2079	6194	0	9659	5690	4599	9038	3480	3616	0	0	0	5591	3992	6067	1247	3829	0	3140	2194	0	1986	946	1203	586	8103	4011	3291	5122	5242	5643	6038	3360	9344	0	0	733	4599	6141	4600	11206	11259	4820	2849	2153	0	3788	5884	0	1909	22736	Unclassified	0.6363636	1.4545455	0.0
14	C11 H16 O7	261.0969	261.09726	0.23568241	261.09695	3609	3234	3895	6846	10024	10442	2944	2743	13654	0	1605	2964	21155	10844	6301	2850	3006	13641	8846	2604	1534	0	2028	0	3312	0	2995	0	6906	3510	2121	7279	10206	2853	1881	5623	7092	4428	3155	0	0	6910	0	702	926	0	0	594	3424	1594	3893	3553	10099	483	19065	6160	3507	6990	0	0	0	0	15170	13472	2473	10645	11176	3044	0	0	0	3262	3180	6662	5594	2522	594	4095	4042	0	1274	0	0	0	8023	5638	2587	3164	7622	0	0	3898	3699	0	0	911	2640	4724	7109	9520	11038	6004	3848	2655	0	3534	9544	718	2513	17092	Unclassified	0.6363636	1.4545455	0.0
12	C11 H16 O7	261.0969	261.09726	0.17008811	261.09692	10441	12994	12007	15776	34172	33891	7958	12065	59911	5139	7784	6272	55139	24808	12965	4699	5543	60853	46746	2173	4302	0	14612	3527	9018	0	5214	11124	20749	10691	14405	11098	28513	13113	7613	8947	20606	12122	5940	1796	0	19976	1018	881	991	2814	0	975	15154	7742	10453	9523	37474	1092	60398	22661	15039	10192	5360	0	0	2374	53426	41972	15418	50073	30365	6754	0	2299	0	8864	13148	12980	5955	9565	0	11464	6603	0	4290	2810	3448	2203	26338	21864	8790	16175	29062	0	4396	10846	6655	3838	1205	1056	11806	15028	19435	25261	22999	15571	11622	0	0	8530	33364	880	6288	81195	Unclassified	0.6363636	1.4545455	0.0
8	C11 H16 O7	261.0969	261.0973	0.1753543	261.09692	19645	15436	15839	16077	32880	25174	9273	15029	42054	5372	12671	10992	68977	27424	13604	11403	16873	42473	45599	7712	7350	6506	11878	9034	6632	1109	10000	12094	24589	28899	15262	18331	30629	17790	9596	16483	25889	8789	14820	2017	2798	22216	1556	386	517	5337	3655	442	34484	14609	15525	14784	27355	767	46191	28258	13432	15298	5374	4469	14112	2053	47586	33174	18221	46640	24420	12879	0	1907	0	17400	17639	19989	12929	18096	337	10608	6393	8490	6649	2568	6240	1243	31213	17813	10775	16173	19514	7682	15594	15945	9789	7650	3440	579	17074	18145	22257	37697	37226	30112	13251	7237	0	9460	31008	490	4033	57529	Unclassified	0.6363636	1.4545455	0.0
10	C11 H16 O7	261.0969	261.09726	0.16666584	261.09692	16775	17979	19447	18789	37518	41657	11004	14595	41693	7898	10552	8073	76633	26847	13245	10617	11658	62767	45251	4694	5458	4793	11390	6602	7593	0	8145	14807	16480	11954	12199	15073	26081	16178	5878	14512	27574	9111	10066	2000	1868	19855	2433	889	1048	3991	1747	1150	12395	11618	17463	16777	30504	1263	55462	28533	14326	14581	3785	3104	10300	0	48696	35423	16277	52674	28859	12035	0	0	0	11138	14162	20598	9438	13299	638	14412	7328	14115	5698	3385	6595	1802	32691	20265	12269	15353	22641	4248	11474	18878	10344	9874	3639	1299	17466	16602	23389	29181	33948	25038	12069	10185	0	9086	39931	1299	5613	69115	Unclassified	0.6363636	1.4545455	0.0
24	C12 H12 O3 N4	261.0982	261.09845	0.192857	261.09827	21124	23760	21562	22420	1062	197397	13178	57200	0	0	1874	43625	0	1242	13552	120320	67189	0	0	0	0	1452	4026	28438	9166	0	4097	0	0	72869	95495	83972	66681	56478	0	80838	50333	11091	89719	0	0	15292	0	0	0	0	0	0	58291	51737	23639	21791	1596	0	0	0	2450	61110	0	0	80935	0	0	1010	1474	0	8855	85287	0	0	0	67609	107075	80617	108897	78544	0	41729	4053	0	3169	0	0	0	0	0	6208	5642	7922	54135	16524	28401	8402	0	1622	0	27521	20266	970	0	0	59521	30741	0	0	36613	0	0	12813	1700	Peptide	0.25	1.0	0.33333334
14	C6 H17 O2 N6 S1 Na1	261.1104	261.11047	-0.34116727	261.11032	0	0	1893	0	2449	3671	5064	2159	0	0	0	0	1612	8234	1172	0	2581	0	0	0	2040	0	0	0	1269	0	5579	0	0	2757	2018	0	2626	3479	0	2621	3088	2183	3085	0	0	0	0	654	0	0	0	0	3066	0	0	0	0	0	0	1611	993	0	0	0	0	0	3352	0	3427	0	4026	0	0	1882	1690	2040	1946	1633	20499	0	449	1396	0	0	0	1734	2051	4587	0	0	0	0	2343	0	3335	0	0	0	0	0	0	0	3343	0	0	0	1080	0	0	0	0	406	1208	1444	Organosulfur	0.33333334	2.8333333	1.0
16	C12 H20 O4 S1	261.1155	261.1158	-0.07909323	261.11548	1033405	1125741	1019141	1032683	1226053	879654	806339	938278	1053832	1335283	935324	660114	1392545	737791	839700	1156934	1002674	1548262	1678571	1638872	1532798	1177132	867509	1016510	720600	1110541	741508	812610	899010	810355	896340	988769	1223130	824971	1486636	883354	1202077	697929	1046033	1207883	1107569	876400	64328	36837	46133	759365	775926	48209	1121482	828855	1107249	1088880	1067667	35946	1214832	985315	711731	1292046	660600	744854	1027363	726971	1243369	1013742	547027	1341078	1021904	922860	976358	1460771	1360891	831181	817789	790489	853523	954232	39086	596192	1066450	879610	779950	674232	802198	911134	1167721	720699	1105734	961539	1018946	1326371	1072793	1122916	1316507	807183	1202488	57019	1051043	1121046	869805	1148170	1278937	1213335	613039	911234	434829	953114	944946	37034	798742	1383912	Organosulfur	0.33333334	1.6666666	0.0
2	C14 H16 O3 N2	261.12338	261.12387	0.11683866	261.1234	109002	106578	92974	102972	60775	62687	72990	137065	48550	160206	96030	89471	49825	40509	89547	124343	149133	81678	102393	146917	205095	129634	84839	126272	77049	88677	59049	97482	138403	100177	112114	129453	165043	118438	184752	123048	150755	72496	149954	119275	132150	86143	1163	919	991	70554	83371	828	130032	101268	98089	104932	75971	895	64435	22313	36243	127542	23846	58653	103252	57756	56765	58719	33419	65311	88178	179111	76221	121426	134200	106779	118490	101039	128993	110649	722	77813	90173	80512	73253	36067	37899	65500	32380	38059	90630	110781	96784	166668	77798	73873	201669	89646	101383	2210	101109	114838	34317	27102	28149	140701	77516	119957	41656	141094	30269	1066	75269	61333	Peptide	0.21428572	1.1428572	0.14285715
10	C14 H16 O3 N2	261.12338	261.12375	0.068417504	261.12338	105102	104666	94097	96427	51246	48004	92088	124507	38267	102788	74542	81099	37399	32563	82727	161734	146611	65102	75730	114274	132870	133855	85092	173016	97366	80466	110632	75521	101138	88328	90085	115430	143504	104453	109901	94496	148747	83303	180700	100022	140758	63656	2603	2552	1937	90755	79568	1932	126990	106409	103530	115599	64482	2664	47068	22477	33829	153949	47207	98481	138605	53339	35547	41182	42921	55628	60983	202041	75340	99694	130250	95614	87295	79662	123848	93949	2070	67949	121827	89053	107298	57382	69492	66735	35040	42101	140472	81927	69128	225442	115133	83181	211216	81005	128962	2232	104164	102330	32699	34525	35009	129158	70722	95684	30445	137231	33663	2109	113371	46332	Peptide	0.21428572	1.1428572	0.14285715
4	C14 H16 O3 N2	261.12338	261.12384	0.10634558	261.12338	158795	174910	151250	151464	92507	89694	101170	197040	65651	183112	109451	106178	69043	56378	102217	222914	208588	117206	137852	187925	209774	208455	122845	250323	120525	132399	115072	115742	151631	137103	161300	174438	230889	180080	217120	169681	210929	104824	246229	128094	170511	114236	2411	1091	967	143964	142199	1308	216190	164666	155890	119993	112059	1151	76271	33101	56207	217556	21873	67229	223193	81324	73944	59525	44340	88764	103233	229411	110393	171549	213350	152003	145359	138096	162837	149259	510	107632	157311	112453	129635	57594	50209	91892	51939	60020	154738	147516	136340	276591	228042	192445	290361	115358	183734	3060	139425	176754	55199	41567	47795	227783	102162	139218	67136	220491	51055	974	142912	84120	Peptide	0.21428572	1.1428572	0.14285715
14	C14 H16 O3 N2	261.12338	261.12375	0.097321294	261.12338	69838	64994	65908	66866	33843	36026	68406	72449	19010	56922	53625	50285	19389	16713	50735	86295	98548	36783	45757	61396	70966	92236	48365	97281	60405	41210	65474	57827	59436	60972	63378	86062	83765	97299	62300	65865	82475	47511	109075	60607	90192	43216	0	1513	1111	44273	55019	1629	85679	63925	70285	59349	41572	1393	23760	14399	29222	104914	30227	57727	69557	31825	23363	22418	21327	37604	38406	122320	37110	54533	81610	80305	67075	51358	71032	67710	1080	46742	64286	60776	63859	33439	46382	50881	21862	18274	84867	66274	54550	193938	82455	60499	152758	59242	68795	1795	70530	60664	16801	20000	20963	71612	55624	63277	24066	99528	20554	1555	85101	30841	Peptide	0.21428572	1.1428572	0.14285715
16	C14 H16 O3 N2	261.12338	261.12372	0.1270304	261.1234	47620	60839	55213	63146	43182	35658	58548	82258	19514	42761	32798	53175	20141	20908	46705	110947	131014	47598	57500	44831	47880	73283	56310	116780	51109	26072	65164	38197	70116	57232	68929	80743	97783	79062	44019	65165	101437	46283	133015	31379	61164	47722	1803	1657	1348	33612	25080	1866	96864	69009	66190	55013	45823	1560	16358	14289	23176	105920	19249	31940	98986	21213	16340	19851	19805	41329	40163	158652	26818	35115	52268	71276	59578	40855	75631	65555	722	44809	89546	48807	49109	24036	27187	33847	22548	22593	81922	71455	51850	220537	41817	55346	161461	34144	35721	1773	66969	54871	18961	19769	19525	96021	42450	35873	11185	111697	26504	1616	74665	31244	Peptide	0.21428572	1.1428572	0.14285715
20	C14 H16 O3 N2	261.12338	261.1237	0.1524164	261.1234	5732	11673	11419	8439	4834	5487	15672	10138	5624	5326	8981	13253	0	6018	10756	17351	28135	3601	4615	7283	6327	18536	7454	15842	9403	4868	10862	8006	15297	16076	11537	17299	15754	18712	6295	13344	17169	7723	27298	8495	16676	11572	1211	1427	1071	6150	6323	1766	18916	12851	9943	10618	4714	995	1963	0	3972	25426	4962	6977	15735	7455	0	3266	3344	4314	5629	37740	5185	5194	8978	14523	12471	8095	22772	15025	926	10894	7061	11682	5121	3149	5715	8283	1379	4024	16052	11422	10413	70018	15287	11522	33764	9666	5381	1533	9720	10197	2753	4427	3481	17926	12537	7213	1675	25346	6293	1785	15083	3004	Peptide	0.21428572	1.1428572	0.14285715
12	C14 H16 O3 N2	261.12338	261.12375	0.0922874	261.12338	84975	89734	93793	88482	39511	45872	73006	95460	33499	75922	53136	53507	22403	21759	63984	122761	137404	53009	53776	81284	91529	122579	57737	124869	66763	51917	72901	44309	84446	78514	67594	92846	98426	78571	90855	75084	100397	65937	188642	80456	113358	57491	1886	1466	1167	58769	68813	1260	106299	76937	84081	87945	46037	1237	37109	13911	34148	109359	39131	64523	89950	44607	28017	30946	26084	35570	46701	179656	58060	65844	104956	68364	65656	67012	100346	88567	704	55535	89939	61681	75555	52420	52814	52909	24510	30474	101489	58268	59420	314392	96020	75496	180213	60962	87805	2220	87688	85255	26130	21705	22317	110570	54625	72198	19751	101860	30311	1454	94062	48552	Peptide	0.21428572	1.1428572	0.14285715
0	C14 H16 O3 N2	261.12338	261.12387	-0.043825444	261.12335	12747	12406	14206	11544	8404	7925	10502	18848	9139	16820	13445	12253	7943	4459	13040	7153	20123	15017	14842	14461	27635	16393	15087	14666	7146	12431	7132	13508	16767	7464	12778	11769	20195	14563	22534	16427	14425	13620	22626	16934	19376	14022	0	1029	870	8205	7239	769	18677	11875	12174	11956	12515	755	12954	6023	8189	17297	5944	10699	10121	10907	9623	11874	10043	11335	14346	20235	10024	12540	12541	14360	15712	12573	8997	16333	894	9544	15045	10962	12289	5421	8836	12363	6566	9241	11000	12075	13244	18389	16657	13587	24027	12046	8524	1209	12912	12562	5545	5377	6764	13955	7271	12870	6759	14494	6376	905	11789	10435	Peptide	0.21428572	1.1428572	0.14285715
18	C14 H16 O3 N2	261.12338	261.1237	0.13999894	261.1234	19514	24641	26292	21198	18753	20963	14413	29456	6034	18175	24025	22496	11597	12082	21341	37329	34436	17934	19823	15002	15623	33621	18264	42097	24672	11420	21479	24482	31233	25595	32213	34902	44532	40146	9402	33075	36859	21404	42335	19025	34530	16501	1448	1561	1139	15732	15489	1416	37923	24080	25003	31173	12121	1176	9856	3923	8308	43956	8764	14081	40575	11195	6811	9935	8282	10061	15168	53305	18043	10724	20644	30444	26036	24686	25891	31364	824	15009	24797	24143	19161	7859	9028	14888	7994	8790	44184	33393	24549	81433	37708	28302	74387	16047	21770	1524	28203	25053	6475	7131	7414	36747	18187	23679	8932	44907	9041	1028	25736	11457	Peptide	0.21428572	1.1428572	0.14285715
4	C11 H20 O3 N2 S1	261.12674	261.12726	0.2180462	261.1268	1466	1128	951	1112	0	8482	0	0	0	0	0	0	462	0	441	438	0	762	322	0	0	0	780	349	0	0	0	60316	0	0	0	0	0	0	0	0	0	358	0	0	0	455	0	0	0	0	0	0	0	0	1395	894	0	0	343	0	0	824	0	0	0	0	479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	160957	0	0	0	0	0	0	0	0	0	666	212355	41791	531	10658	0	0	1243	1420	0	0	0	575	0	0	0	0	402	0	293	430	Peptide	0.27272728	1.8181819	0.18181819
6	C11 H17 O2 N4 Na1	261.1322	261.13248	-0.07422123	261.13217	0	0	0	0	3821	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26519	2994	0	0	0	0	0	0	0	9353	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	62206	0	0	0	0	0	0	0	0	24866	0	0	0	0	0	0	0	2837	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4028	Peptide	0.18181819	1.5454545	0.36363637
14	C12 H20 O6	261.13327	261.13364	0.14570773	261.1333	5426	4945	2164	4021	5854	8992	6769	3917	5720	0	1790	3641	7359	10369	11277	4226	3110	7944	7670	0	0	0	3534	2709	11920	0	4344	0	13048	10032	44292	12151	7362	7596	0	11142	8761	6809	3884	0	0	8220	5029	2849	1849	2359	0	2918	8274	5085	3571	1970	6420	5544	10919	4313	4165	3501	5518	0	0	0	5682	4972	6815	10230	11699	2316	0	2147	3731	5893	6242	16006	4099	6897	2287	5366	1348	0	1390	3183	5276	2486	3492	4344	3110	2462	3104	0	7943	5319	2644	0	1739	2868	3793	5221	5714	5548	6591	5843	3918	0	0	1953	4590	3017	2417	7078	Lipid	0.5	1.6666666	0.0
4	C13 H16 O2 N4	261.1346	261.13504	0.12452287	261.13464	1356	1119	1335	998	480	0	979	1485	0	1844	0	2673	276	0	1220	1984	3206	778	1576	1188	1786	1886	2641	3296	818	820	0	0	0	0	998	0	3237	2086	1774	0	3087	1456	3547	1099	1606	0	0	0	0	0	1969	0	1645	0	1263	1978	739	0	0	0	600	2202	0	879	1779	1306	0	413	0	590	544	2683	0	0	0	1340	955	636	1680	574	0	1146	2041	21187	2970	1192	0	869	0	1084	1789	3450	1583	4810	2719	0	3263	1497	2088	0	827	1853	0	0	0	1927	2367	0	0	2351	0	0	1399	0	Peptide	0.15384616	1.2307693	0.30769232
10	C13 H16 O2 N4	261.1346	261.13507	0.1801815	261.13464	1760	0	0	0	0	0	2873	0	0	0	0	0	0	0	835	0	36404	0	0	0	0	0	1851	0	3556	0	6133	0	0	0	0	0	0	0	0	0	0	0	48345	0	0	0	0	0	0	0	0	0	0	0	1468	0	0	0	0	0	662	0	0	0	0	0	0	0	2059	0	0	40358	0	0	0	0	0	0	9945	0	0	0	4244	0	8372	0	0	0	0	1415	3599	0	0	0	0	0	8131	0	2055	0	2031	0	0	0	0	0	0	0	0	2053	0	0	3814	0	Peptide	0.15384616	1.2307693	0.30769232
18	C11 H20 O5 N2	261.1445	261.1446	0.3751757	261.1446	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41211	0	0	0	0	1683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1147	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8386	0	0	0	0	0	0	0	0	0	0	37942	16552	0	1710	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.8181819	0.18181819
6	C11 H20 O5 N2	261.1445	261.14493	0.111602426	261.14453	242994	244668	199948	234190	60275	1172869	12010	28750	8567	32500	107754	5818	13971	11844	69465	1602886	61666	36875	31216	2883	6246	25219	9115	26231	15974	0	291013	6464883	29759	89606	56006	216158	114948	76433	28502	52809	52082	31958	66960	1283	3249	167082	863	0	0	58732	12617	0	43514	14589	246955	212098	20900	966	12323	10744	9238	662891	2355	3807	34452	0	116142	8547	24919	34150	22364	60762	2064	2522	11741	19907	22217	18167	22342	21331	0	11257	13528	4084633	7770	2518	2185	0	170393	62862	16383	125393	62850	29868	2492654	2070171	29402	419993	38469	0	224823	181699	88324	7296	16637	33597	10817	9155	0	28618	19156	0	9982	20360	Peptide	0.45454547	1.8181819	0.18181819
2	C11 H20 O5 N2	261.1445	261.145	0.10980111	261.14453	203187	193820	182986	187495	67010	248194	27688	90561	32222	81204	376664	31013	101643	71016	38269	40362	58451	102579	82911	11584	10760	78935	38364	70465	31354	0	19243	728630	143847	45923	120117	104037	154521	96113	40442	76670	105448	27581	53741	5316	2051	80185	1919	0	0	21602	4357	0	94302	35275	185519	194903	72233	2440	36202	20148	17494	145162	5517	4041	31239	1037	107235	31804	22939	112751	90570	65202	968	10863	2223	98679	99569	70866	17618	70892	0	35228	20968	964115	17513	3768	3439	692	24777	33379	29432	69403	110407	44880	4477910	3460743	114582	352740	11156	1525	196880	187511	26879	18819	25589	60835	35208	16404	3367	105104	23627	0	23083	118012	Peptide	0.45454547	1.8181819	0.18181819
16	C11 H20 O5 N2	261.1445	261.14474	0.33990392	261.1446	0	0	0	1794	0	0	0	0	0	0	4692	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	106681	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1539	0	283	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1647	0	0	0	14314	0	0	0	0	0	0	0	0	0	0	48438	23548	0	1967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.8181819	0.18181819
12	C11 H20 O5 N2	261.1445	261.14468	0.15969697	261.14453	0	0	0	0	0	0	0	0	0	0	4561	0	0	1011	0	0	0	0	0	0	0	0	0	0	1356	0	0	26219	0	0	0	0	0	1810	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1520	0	1830	1794	0	0	0	0	0	0	0	0	0	0	0	0	799	0	1023	0	0	0	0	1284	0	0	0	1120	0	0	0	16968	0	0	0	0	0	840	0	1050	0	0	99883	54812	0	0	0	0	1372	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.8181819	0.18181819
0	C11 H20 O5 N2	261.1445	261.14502	-0.030652093	261.1445	69530	65557	66120	70442	62522	127251	13029	94313	34118	17741	67855	28212	79612	55907	31897	10862	25267	96521	72442	9300	22094	56918	36021	90587	24858	0	8001	268618	147597	35528	100969	86410	191696	108055	29827	79661	101173	36948	31630	5724	1825	71467	3603	0	0	27079	1888	0	102876	40351	61142	62556	71712	1926	35772	16532	12960	125582	8141	2482	39500	829	68567	34361	31436	75352	104251	30080	662	8614	1526	79999	109353	79356	11070	78257	389	35177	24292	480896	18173	2769	3779	0	14051	17923	34821	52574	84563	50781	880852	467602	87133	115774	3704	1365	65451	70261	17373	13049	14201	65703	24617	12859	1826	113600	24152	0	17996	126158	Peptide	0.45454547	1.8181819	0.18181819
14	C11 H20 O5 N2	261.1445	261.14487	0.37720427	261.1446	2123	4686	3049	3523	0	0	0	0	0	1767	18336	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	418117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2258	2947	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28474	0	0	0	0	0	0	0	0	0	0	122153	99652	0	6467	0	0	3353	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.8181819	0.18181819
10	C11 H20 O5 N2	261.1445	261.14487	0.092152394	261.14453	4624	2728	3296	1794	1283	1585	0	3014	0	0	1887	819	0	0	2404	3993	3229	0	3143	0	0	0	897	2111	2235	0	2519	18227	1686	955	1791	3139	4247	1996	0	2944	2877	2113	4860	0	0	999	0	0	0	0	0	0	1460	0	4339	3689	1002	0	1050	0	0	4842	0	0	0	0	0	0	3058	1283	1798	2261	0	0	0	1409	1521	1534	2381	898	0	1677	1726	18379	1104	0	0	0	0	4873	2824	2844	1608	2026	216556	84795	2342	2321	1509	0	3953	3365	0	0	804	3512	1918	0	0	1994	665	0	1933	0	Peptide	0.45454547	1.8181819	0.18181819
2	C14 H21 O3 Na1	261.14612	261.14688	0.38360143	261.1462	0	0	0	0	0	0	0	906	0	0	3890	0	0	0	0	0	0	0	0	0	361	0	0	0	0	0	0	0	820	0	0	0	0	0	391	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	441	0	0	0	0	0	0	0	0	0	600	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2148	24583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21428572	1.5	0.0
14	C16 H20 O3	261.14853	261.1489	0.089893475	261.14856	553321	561049	520461	553285	397070	289977	579414	508820	352886	493942	380824	392863	356941	299998	409123	683688	815488	426662	480450	643255	681890	567098	408259	510727	437844	981020	565745	395815	482435	518730	434486	589588	611610	429896	511626	526533	532736	394544	879641	479716	638378	365109	37332	19554	17723	364133	441208	24709	599464	422673	513563	511035	388574	16830	423728	352864	320607	744687	351472	493656	592294	310307	391542	335548	277498	387772	378037	841599	691368	887641	1082457	348376	414177	469082	619726	553154	15605	346608	558586	419614	467118	332662	607357	554117	440613	304903	639596	372863	418805	1026784	614442	492291	757459	355020	500037	29005	555557	521386	358132	529763	542187	556228	417164	551309	237318	555729	368562	18748	475439	321299	Phytochemical	0.1875	1.25	0.0
10	C16 H20 O3	261.14853	261.1489	0.08648442	261.14853	128157	108678	98131	105690	69164	69618	111720	142602	74402	70873	67294	92863	63553	57618	105687	157769	147244	73767	99213	102851	100332	128410	100118	152754	108252	135289	126442	69443	129988	129112	114939	125127	134774	91236	95116	130109	104065	102818	175600	95892	96938	75733	27030	19819	22327	104412	105094	26321	134118	119588	110958	131441	70617	17369	95951	83057	67416	159861	91334	112936	148017	54653	67413	63865	54003	68598	64547	183961	115321	128666	129776	91613	96912	122453	154516	133664	17705	79540	132273	69680	128146	95256	126397	68366	91027	71782	148535	63212	72362	200418	110951	106588	162832	80274	108668	23500	104624	128020	70416	100149	113250	129864	100155	120442	64118	109009	83623	19250	115203	58698	Phytochemical	0.1875	1.25	0.0
12	C16 H20 O3	261.14853	261.1489	0.08037556	261.14853	272081	327028	276480	321461	158546	119260	297816	269981	165971	189173	176061	155981	111841	114014	194633	417541	375641	176083	227496	273313	253097	321683	208322	304333	206032	326319	352231	159179	274231	257632	220177	299632	275777	199009	232605	255723	267072	207503	425463	207230	269082	171208	21340	18726	18652	209922	235781	24299	308703	291544	309537	328255	170451	15297	202647	168100	150480	365284	180091	249656	338100	124485	168651	148096	117289	148008	156662	385010	278979	316483	396217	175065	216449	253912	424958	305936	13603	175583	268484	141020	234684	193336	279513	174107	198732	154196	310798	137222	179868	457526	309649	301779	339266	151346	302477	23860	286959	294382	166122	214399	244845	308662	200708	272543	118053	249716	170525	17884	224234	166474	Phytochemical	0.1875	1.25	0.0
20	C13 H24 O3 S1	261.1519	261.15213	0.027994476	261.1519	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3265	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7222	15792	0	0	0	0	0	0	0	0	0	0	0	0	45265	0	1480	0	0	0	0	0	0	0	1718	17623	12119	0	4120	2008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.23076923	1.8461539	0.0
0	C10 H20 O4 N4	261.15573	261.15604	-0.17333283	261.1557	0	2170	1786	0	0	0	0	0	0	0	0	2203	0	0	0	0	1966	0	0	0	675	4771	3851	5582	1504	0	0	1362	2607	0	1921	3000	12190	3513	4960	1891	5282	1813	3140	0	0	0	0	0	0	2024	0	0	1460	0	1602	0	0	0	497	502	0	6363	0	0	3024	0	0	0	0	0	0	8895	0	0	0	0	0	0	0	0	0	1846	2868	2943	7851	0	0	0	0	0	1461	3203	1414	6886	0	1638	13247	0	0	0	0	0	666	347	0	5682	2121	0	0	27970	0	0	2779	1023	Peptide	0.4	2.0	0.4
10	C15 H20 O2 N2	261.15976	261.16013	0.084183626	261.1598	18850	19182	18248	17525	8795	10281	11790	22963	3988	34216	28350	10968	1346	6643	11359	26230	16251	6313	9579	41945	44140	13304	12133	24465	19128	33737	13766	41928	20991	17400	16002	24154	27705	23038	37734	18304	32676	11711	14012	27320	19169	9979	0	0	0	18529	16486	0	24933	14371	23410	23283	8996	0	3788	1997	4506	34061	0	6703	27800	10384	1916	3825	3185	4953	10562	26580	17379	31022	34166	18596	18629	14724	16765	17546	0	10650	9856	59625	12320	3938	3088	19989	3280	3434	14996	13711	11150	39511	160673	24639	35356	20929	31847	0	19895	18879	3221	3329	2900	29534	10260	15538	0	23998	3410	0	12429	3267	Peptide	0.13333334	1.3333334	0.13333334
12	C15 H20 O2 N2	261.15976	261.16013	0.07913407	261.1598	17607	19242	17975	17372	5897	6317	8915	12729	3530	21011	19918	8178	1413	3142	5599	17432	19686	3351	7861	29929	27523	16468	8914	20679	12654	32134	12292	34267	13878	14047	10957	20135	20651	13867	21784	13380	19467	8762	20086	21966	30698	5948	0	0	0	13010	25728	0	17713	14432	19584	21006	8090	0	2778	2700	3744	16585	0	10631	0	7786	1581	4192	3634	4854	6540	27993	29750	32716	46257	15997	13133	11633	16237	18213	0	8429	9944	66862	9566	6513	5717	16494	4582	4243	8600	9324	8364	30473	293056	78241	23594	25535	26761	0	18793	23320	2369	1961	2228	18093	5846	10939	0	15128	3172	0	8916	4550	Peptide	0.13333334	1.3333334	0.13333334
16	C15 H20 O2 N2	261.15976	261.1601	0.09118845	261.1598	18242	14202	17477	16547	2912	5309	12607	14533	2271	13785	16421	16189	1725	2717	7370	24794	28913	4163	4081	16058	15326	18869	7514	19232	9252	25942	18921	38134	20389	27440	22066	28046	18761	30555	19175	26380	23961	8496	40930	19734	42404	6458	0	0	0	15471	19823	0	27213	23074	12969	11817	6469	0	1860	1721	3844	26567	6239	21587	21900	12317	1732	0	2391	2894	8263	39252	15511	15931	32873	24429	37197	50536	30910	34008	0	11021	9361	33979	10055	12845	8677	17676	0	4213	13490	13599	6001	38321	78044	30614	0	18605	26394	0	17435	17457	1640	2087	0	27880	8265	10275	6863	14817	2840	0	15327	2804	Peptide	0.13333334	1.3333334	0.13333334
2	C15 H20 O2 N2	261.15976	261.16022	0.060597997	261.15976	36460	39582	32988	33070	5808	0	28393	54138	4226	34313	19224	26348	2477	5509	29396	78849	62504	12920	15908	43948	39280	41072	27285	95348	41928	14283	31453	23527	50070	42531	40546	52077	50383	40185	37159	52868	46308	27282	66114	36998	30289	15048	263	0	0	25555	24208	0	57787	46555	32348	35499	10833	0	5817	1386	6904	52133	1150	5946	59547	15871	4067	5367	6993	8645	17591	83204	9921	17685	21567	42397	43429	49574	79582	42715	0	25464	35853	37625	39383	6555	8789	31798	2540	7525	29532	19180	17672	93370	39639	17716	120078	21593	45105	0	32895	37379	3859	1319	1605	44656	24564	47224	11294	72148	2330	0	45493	5350	Peptide	0.13333334	1.3333334	0.13333334
8	C15 H20 O2 N2	261.15976	261.16016	0.08904377	261.1598	39191	41984	31208	44758	8692	19897	25973	58288	10225	43921	32488	22744	3474	9022	30641	108569	38136	12059	17921	59449	48670	26818	31446	131851	55449	25452	31292	57203	53489	37108	44141	48355	54340	41367	46682	41200	70665	32707	45574	28903	15610	19422	0	0	0	27796	18992	0	58000	36677	38905	45138	17361	0	7297	3637	8548	80948	0	4809	76831	13301	4917	5694	11726	12266	19068	61871	17198	37549	32350	39924	30549	30073	36553	34465	0	26373	36049	62346	25788	3572	2506	24553	7612	8090	41677	29585	25902	176183	187066	49491	147080	28445	40479	0	39886	40667	6995	3942	5193	50726	25306	18497	0	108813	4188	0	43404	6848	Peptide	0.13333334	1.3333334	0.13333334
14	C15 H20 O2 N2	261.15976	261.16013	0.09559168	261.1598	20734	25653	22098	19464	16798	5853	17949	25606	3758	28031	20893	12677	6401	6922	12090	29484	30444	8707	7282	32144	28524	27532	9721	32808	9106	23285	17152	20488	17645	22408	20442	26742	23333	23896	24816	20740	24984	10254	35005	28048	46885	10292	0	0	0	24945	34742	0	28386	22372	22324	21056	9163	0	2620	1843	5747	31103	7190	33358	18605	15447	2399	3290	2732	11322	6930	38530	14550	24884	38812	21638	24337	20712	22582	25752	0	13088	12581	37630	11594	13013	19077	28346	4001	0	18432	14133	11994	42449	155885	47045	27751	29465	34125	0	24044	16649	3417	6777	10921	20526	12507	24831	0	21332	10966	0	22185	3029	Peptide	0.13333334	1.3333334	0.13333334
4	C15 H20 O2 N2	261.15976	261.16022	0.10613523	261.1598	25273	27312	23765	24191	5286	9505	17474	34053	4834	32944	18920	18021	2866	3571	20225	46169	47340	8945	15038	37849	38675	28606	17065	46296	23882	15542	18803	27185	26343	22379	28890	30285	33281	28255	41913	29185	30261	17747	48774	24243	19399	13708	0	0	0	19158	20442	0	36596	35989	23841	22002	10420	0	5287	1790	6109	37055	0	3610	37412	14082	3667	5765	5381	7761	10132	64059	8931	17016	22609	25692	23313	25623	48631	23407	0	17960	24946	42010	21915	3030	3593	21896	1761	6447	24949	16516	13887	70147	61370	11805	71414	26219	45355	0	23057	26532	4826	1905	2252	30527	16406	26138	8636	32472	2822	0	23867	5688	Peptide	0.13333334	1.3333334	0.13333334
6	C15 H20 O2 N2	261.15976	261.1602	0.064316675	261.15976	34942	31624	38271	35654	10007	17838	32984	42903	4964	43859	25220	21015	4997	11347	25719	48119	41034	15308	19325	51045	47887	29130	21940	57409	44232	23950	38089	47281	43878	34686	42889	45297	64737	34930	41690	39707	69291	27960	52479	25939	18451	18337	0	0	0	23906	20003	0	53917	32835	35205	35095	16161	0	6305	2736	7854	52284	0	5146	48325	26322	5082	5778	7715	10541	20127	60191	16357	34761	28365	31348	28449	28081	35727	29495	0	21458	21143	113733	24880	3557	3092	40325	3114	8317	32064	22384	22446	82591	137142	23621	78652	39385	67254	0	32268	33564	3845	1287	2345	60429	21142	21922	8840	53266	3306	0	30319	7921	Peptide	0.13333334	1.3333334	0.13333334
18	C15 H20 O2 N2	261.15976	261.16006	0.10248935	261.1598	5395	8113	6024	5999	3974	2067	4623	7722	0	4807	7408	5549	0	6190	0	6953	7955	0	0	6429	6572	5350	1666	8225	2529	13880	6324	14230	9205	4435	5979	12955	11034	16443	5070	7073	8406	1826	8816	10521	18365	4438	0	0	0	6641	6232	0	11887	6433	6513	8619	4391	385	0	0	1933	9991	0	6448	5395	5050	0	0	1155	2432	3816	9961	14825	10526	19326	7469	5675	4131	7118	17176	0	2295	2975	14222	3369	4457	2697	3728	0	2415	3603	5049	4968	18510	54972	9809	6994	8141	8281	0	8267	6671	0	1697	3216	11351	3960	7289	1713	6446	1820	0	4157	0	Peptide	0.13333334	1.3333334	0.13333334
0	C12 H24 O2 N2 S1	261.16312	261.16327	-0.7775363	261.16293	0	0	0	0	0	0	3014	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37646	4087	0	4316	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2795	0	3385	2761	0	2992	3742	3780	2974	0	0	0	0	0	0	0	0	417	0	0	0	1709	1689	0	0	0	0	0	4717	404	5473	0	Peptide	0.16666667	2.0	0.16666667
24	C12 H24 O4 N2	261.18088	261.1814	0.45538402	261.181	0	0	0	0	0	0	0	0	0	0	0	0	0	1342	2523	1684	1440	0	0	0	0	0	0	0	0	0	0	0	3026	1599	0	1216	1527	0	0	1525	0	739	2163	0	1754	74768	0	0	0	1132	3147	0	0	1154	0	0	0	0	0	0	0	0	0	861	0	0	0	1085	0	0	0	1932	0	0	0	0	0	1670	1302	1144	0	0	0	0	0	0	0	1057	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2110	0	0	0	0	Peptide	0.33333334	2.0	0.16666667
16	C12 H24 O4 N2	261.18088	261.1811	0.39841375	261.181	0	0	0	0	0	0	0	0	0	0	9793	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3062	30198	0	0	0	0	0	0	0	0	0	0	2414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	2.0	0.16666667
2	C12 H24 O4 N2	261.18088	261.18137	0.1036185	261.1809	7159	6926	5516	8079	11823	0	2672	8304	6078	2148	1863	3044	35047	6471	3946	11270	4966	13091	7879	945	1797	8156	6268	11568	4624	0	1685	4275	9970	5893	8770	8557	10582	7798	2142	5489	8508	4367	6839	1661	788	5018	2757	287	0	3021	496	0	8687	5730	6580	7898	5779	398	5075	4616	1655	13666	1206	951	11413	0	11256	4505	0	43024	6639	9206	858	912	520	7515	6374	5755	6406	6213	749	2786	5220	22338	4495	0	812	251	3296	2210	7782	5925	4409	62700	24788	25376	20783	6092	2996	0	7648	6654	2316	3882	5069	6820	2492	2066	1914	10886	3039	0	5123	38285	Peptide	0.33333334	2.0	0.16666667
0	C12 H24 O4 N2	261.18088	261.1814	0.00273002	261.18088	12181	12323	10724	10746	12005	0	3577	12696	6947	4514	4220	5887	15782	7660	5923	10189	20556	20701	8173	3347	8006	9706	9153	24474	5288	0	1740	7131	36680	6156	15964	25361	20907	17169	6591	14365	11039	15515	20988	28504	1850	5461	37687	10708	3169	8677	1973	1317	27305	6117	10565	9092	14315	8927	4114	3642	3696	25394	2316	3934	14691	1928	3458	7047	13626	15170	12009	25747	1918	3155	1673	8851	12448	7871	3141	8480	6468	12640	5428	6333	5224	1606	2356	0	3220	5202	6379	12231	7997	295959	12062	13292	17595	21477	1674	4456	10887	11957	5482	2598	3701	7457	4747	2492	22836	18916	4314	3729	4791	29236	Peptide	0.33333334	2.0	0.16666667
14	C17 H24 O2	261.1849	261.18524	0.082811765	261.18494	11386	12897	15134	10392	6148	5816	21373	12946	9474	2076	0	9185	5455	6511	9776	18083	32012	6830	7053	8511	6160	10446	8112	15132	16016	12714	20689	0	13232	11351	8968	15935	14515	9485	6417	12880	9795	12140	29170	6063	8904	12311	0	1962	1913	4251	9505	3147	10599	15207	12185	14105	8794	1684	9379	6306	9328	17355	5072	14454	0	4501	3865	7296	10185	5656	9756	36001	0	6467	8842	8889	9157	17213	19974	13334	1789	6595	19311	0	13231	10393	20935	15884	20348	11840	17606	9440	9815	40712	15691	13926	21978	5389	7223	2891	11103	11566	8594	20315	20630	12492	11641	9278	0	12406	12736	1773	17300	3286	Lipid	0.11764706	1.4117647	0.0
18	C17 H24 O2	261.1849	261.18524	0.117035985	261.18494	107145	106347	92118	85886	70355	54100	159794	117305	43883	64909	75652	74521	55618	80511	80176	149799	205527	66620	87978	92721	92210	81352	69509	93551	83604	134531	168460	77878	110825	96778	85307	115489	114981	88020	61258	121253	99735	80419	204209	65089	102656	78951	6739	2359	2338	56671	80498	3961	106792	99589	96658	97999	65894	2962	59256	69901	70510	132686	58315	96392	115559	48391	64220	47803	75727	74973	85979	220078	77636	90534	129116	64680	73747	109530	199077	122278	2116	55785	113066	109701	71957	69025	145596	139780	95176	90113	136921	76351	84886	223695	130211	119914	139506	64766	86725	3628	100932	91314	69537	95763	117439	128009	68801	75119	41670	90480	60636	2698	108636	40850	Lipid	0.11764706	1.4117647	0.0
16	C17 H24 O2	261.1849	261.18524	0.10832887	261.18494	31203	35704	36059	32975	18478	14202	60822	35536	16846	18821	24870	28024	12289	30493	36852	53671	86403	19227	35021	27567	23778	32512	31161	33441	33844	37879	62117	23569	33815	41035	33788	42714	37191	25978	22048	43256	31005	25052	84854	21328	33356	25086	3675	2218	2528	22116	27471	2904	42282	39808	38368	41788	22019	2252	21420	23438	25619	60567	17907	38726	34836	12303	16875	14327	20205	22936	30983	65733	20959	22744	30635	23716	29980	47573	74897	44697	2003	22296	46537	29211	34572	25028	66490	59315	36975	28402	63197	26803	23582	97454	54255	42922	43194	25343	30738	3072	33778	32972	22639	40830	46147	42223	25258	26874	13909	50093	27927	2040	41649	18153	Lipid	0.11764706	1.4117647	0.0
22	C17 H24 O2	261.1849	261.1852	0.09209564	261.18494	476429	527343	409556	482123	385726	279490	699578	454955	259104	659682	671672	284063	227412	444945	338919	589759	747575	362785	369559	738481	769880	472532	266294	354841	369646	1280764	716629	678194	490617	455326	329843	477731	490250	449142	585814	508221	471948	332204	722036	472149	643016	436168	33736	6782	6473	328221	457194	10953	473359	477026	497176	450164	353651	10375	284792	301132	286026	646515	282174	449743	569329	312053	306215	245700	287673	418445	494751	749169	744812	994172	1173757	346120	352215	455822	586862	464952	9190	239787	410813	583715	275923	319184	569167	686467	331419	316256	586079	356729	366922	817983	696482	604457	511458	436914	564981	11450	421832	514955	332960	385140	378272	618954	289284	472933	307482	426037	326415	8304	411837	263453	Lipid	0.11764706	1.4117647	0.0
20	C17 H24 O2	261.1849	261.1852	0.11016491	261.18494	250434	270437	239312	230420	183485	120479	400129	234952	139416	255353	236896	169265	126768	222577	198986	341464	431639	172534	219856	302814	314890	234345	140874	213704	193073	496904	452704	247910	237620	233579	166070	266419	264459	208800	261385	252892	249011	182904	406679	200113	303357	183450	15925	4294	3105	144674	228255	7122	232883	211913	244135	259066	172011	5693	150095	166926	176974	343658	139229	247228	261918	145679	152440	119610	164253	197563	210957	428239	317696	343858	488469	163717	213180	274868	454564	246631	4380	136940	244050	300969	152544	131121	389812	416732	199676	175999	350839	186919	198166	553693	377984	312919	299830	198166	236656	6868	230673	262328	183005	212877	244446	310402	167040	250608	135838	215656	170646	5773	237549	124540	Lipid	0.11764706	1.4117647	0.0
0	C11 H24 O3 N4	261.1921	261.1925	-0.17195629	261.19208	4327	3758	2784	4056	0	0	0	5264	0	0	0	0	0	0	0	0	1374	0	0	0	0	11356	6636	4350	0	0	0	0	5993	0	9536	2181	10059	2631	0	2147	14813	680	1344	0	0	3580	0	0	0	0	0	0	2678	0	2638	3809	0	0	0	0	0	3769	0	0	0	0	0	0	0	0	0	3892	0	0	0	0	3218	2614	0	2535	0	0	1615	0	33174	658	0	0	0	0	0	0	0	2882	0	0	35521	0	0	0	3621	3145	0	0	0	8681	0	0	0	15072	0	0	2799	0	Peptide	0.27272728	2.1818182	0.36363637
4	C16 H24 O1 N2	261.19614	261.19662	0.16030885	261.19617	3375	4549	5266	5052	0	508	3502	10854	0	3367	2290	2815	0	0	3351	11717	7968	351	894	4940	5359	2000	3954	10195	6251	1149	5691	0	7435	5586	6681	10429	7370	8367	3639	8475	6042	3070	7534	3267	1100	1200	0	0	0	2926	2060	0	9174	8709	5351	3919	630	0	0	0	367	9502	0	0	7785	1283	0	0	0	0	947	11710	0	0	0	8509	7466	12834	9668	8178	0	4137	4339	0	4708	0	0	2713	0	236	3368	1101	1574	22487	3970	0	16734	1791	5420	0	4952	4974	0	0	0	8183	3359	4951	0	8669	0	0	4928	0	Lipid	0.0625	1.5	0.125
6	C16 H24 O1 N2	261.19614	261.1965	0.100084044	261.19617	1756	2800	2254	2636	3162	503	1264	4541	0	4151	2425	1528	0	2569	1249	5011	3340	4836	834	4160	5685	780	1452	5901	1855	1288	1556	2694	2004	3806	2514	7835	2978	3581	4049	3471	2390	1588	3201	2271	0	957	6335	0	0	0	2687	0	4919	3664	3616	3122	600	0	0	0	628	7631	0	0	6761	0	0	0	403	0	1245	4849	0	1580	2512	4095	3528	3109	3848	3364	0	1736	2611	0	2091	0	0	3341	0	0	3717	1083	681	44794	0	0	12724	2015	5532	0	3454	0	0	0	0	3398	1081	0	0	4180	0	0	2535	0	Lipid	0.0625	1.5	0.125
24	C14 H28 O4	261.20602	261.20642	0.039482918	261.20605	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1360	0	0	0	0	0	0	0	1546	0	0	0	0	0	0	0	0	0	2112	0	0	1341	0	0	0	0	30417	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3859	44563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13382	0	0	0	1227	0	6403	0	0	0	Lipid	0.2857143	2.0	0.0
24	C18 H28 O1	261.22128	261.2216	0.13080998	261.2213	44389	52911	40678	43759	24745	47671	282954	40552	8674	33261	46396	17457	21304	130846	17501	52639	69138	16032	22972	26002	20136	20933	17177	20265	24776	51583	275153	77839	28979	50806	20918	47919	45869	25984	21236	44680	25789	23867	63358	16958	31203	46488	12074	3181	0	31374	41587	0	66217	130756	46404	42526	17894	22202	9341	19495	32465	55157	9332	101394	51688	12946	56965	7357	92510	44959	45435	71745	25823	19607	34991	31318	21302	52570	39423	69002	0	15397	33059	243535	16253	38978	66334	91885	14828	23678	116385	39986	25603	207973	136189	97948	70288	45515	61106	4484	47450	48403	29129	14973	25205	34988	15427	31284	14689	26268	14655	0	33202	68900	Lipid	0.055555556	1.5555556	0.0
16	C12 H7 O6 N1	262.0346	262.03494	0.1655031	262.03467	9602	8135	5015	11616	7202	6624	4522	9858	8202	0	0	13157	1943	6943	5088	24692	13686	17326	12754	0	0	6992	8996	15207	2447	0	5109	0	6560	7721	9300	10448	20242	11247	0	9575	15604	9954	20375	0	0	11757	590	1044	807	1169	0	1187	14121	6888	7879	5876	8230	270	5713	1532	4778	23762	0	0	23538	0	17504	9204	5524	14807	11895	18290	0	0	0	7458	12680	5704	15860	14134	0	6214	8277	0	7845	0	0	0	6558	3730	12085	19103	17580	30612	0	0	0	0	0	665	9460	5636	2715	3922	2505	15282	7286	0	0	25318	1086	1560	2848	12927	Phytochemical	0.5	0.5833333	0.083333336
20	C12 H7 O6 N1	262.0346	262.03497	0.24209946	262.03467	1854	0	1940	3129	0	2116	2201	5427	0	0	0	7222	1990	0	4058	9745	6863	2580	7410	0	0	8184	2333	7541	3208	0	0	0	3506	4271	3538	3223	8523	6446	0	4480	6171	4842	10814	0	0	4384	618	1639	2124	0	0	1663	6260	3462	2700	3880	2940	861	0	0	2274	11243	0	0	6936	0	1975	1832	1401	3500	4637	6169	0	0	0	5352	1223	2222	6675	4421	603	3429	8463	1514	4055	0	0	0	0	0	4529	4819	9714	30511	0	0	23178	1479	0	1420	4219	0	0	0	0	8038	7369	0	0	18367	0	1777	1687	2965	Phytochemical	0.5	0.5833333	0.083333336
22	C12 H7 O6 N1	262.0346	262.03494	0.14238098	262.03464	4244	3937	4152	5050	1788	4461	2437	13892	2981	0	0	19060	0	0	7772	15863	11141	5993	8357	0	0	7903	11660	9726	1630	0	0	0	2993	8845	7121	5469	9841	7268	0	7392	11666	10121	11006	0	0	8057	0	0	2212	0	0	0	6342	5933	4263	2573	2826	551	0	0	5348	10922	0	0	15508	0	2338	6517	3922	2059	8865	12528	0	0	0	11977	5140	5143	14435	6773	639	11597	12721	2299	11976	0	0	0	0	0	7334	9616	11918	28564	0	0	22772	0	0	0	5700	2587	0	0	0	12851	12883	0	0	22518	0	0	1581	6445	Phytochemical	0.5	0.5833333	0.083333336
14	C12 H7 O6 N1	262.0346	262.03497	0.22690424	262.03467	4570	5916	4833	6895	5384	4458	1805	2971	6030	0	0	6863	5541	5261	2573	12008	6781	13164	9624	0	0	4605	4739	5848	2234	0	3469	0	4255	4020	5254	11156	18859	4746	0	5736	14154	4594	13302	0	0	7182	0	0	487	0	0	514	4639	2581	5368	5249	10262	243	3765	1352	4054	14803	0	0	0	0	12971	10798	4555	13248	8037	18865	0	0	0	4978	6071	3553	6059	6409	252	4523	4755	0	3919	1073	0	0	4181	3132	5217	10697	13948	27016	0	0	18494	0	0	538	7036	3088	2177	3958	2189	9047	5395	0	0	16899	0	510	2795	15288	Phytochemical	0.5	0.5833333	0.083333336
18	C12 H7 O6 N1	262.0346	262.03494	0.22337571	262.03467	4493	4324	3565	5642	3271	0	3769	6911	1560	0	0	4971	1843	1392	2311	14143	9822	2173	5850	0	0	6491	3355	11654	4010	0	3745	0	4157	8270	5027	6968	7046	9880	0	9057	6501	5606	6959	0	0	4370	466	1047	1342	0	0	1163	8376	2201	5343	3629	3718	353	0	0	2656	14652	0	0	12048	0	2922	2722	2483	4091	5949	6923	0	0	0	6537	8662	6292	8942	7643	481	4178	7334	0	5347	0	0	0	1377	1422	6314	8341	7812	24483	0	0	17010	0	0	1088	5271	1771	2243	0	0	8562	2184	0	0	12171	1394	978	4957	4611	Phytochemical	0.5	0.5833333	0.083333336
8	C17 H11 N1 S1	262.0685	262.06863	0.5879331	262.06866	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	903	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20224	0	0	0	0	0	0	0	0	0	0	0	0	751	764	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1171	Organosulfur	0.0	0.64705884	0.05882353
20	C13 H11 O5 N1	262.07098	262.07132	0.13919501	262.07104	10912	12908	8746	10222	11671	9836	7502	6987	7090	6290	2878	5088	10597	7779	6137	14845	11118	14809	14959	3143	5360	13859	7817	15068	2929	0	7060	3772	7209	4273	7152	5491	11976	8116	4174	3975	17402	7061	9661	5878	11007	10283	2128	1892	2076	5019	5309	2814	7716	4345	9094	8119	11613	1826	6065	6135	5401	13113	2456	6277	10946	3719	12064	10538	4837	15266	9681	12488	1565	0	0	6158	5219	1355	6642	5424	1833	4092	17325	11747	9982	3696	4995	0	11069	6599	14229	17119	12684	30568	7787	6791	16342	9758	4322	2827	9531	7997	7953	11451	11895	13165	5212	7068	3700	10615	6206	1568	8442	18874	Phytochemical	0.3846154	0.84615386	0.07692308
18	C11 H11 O1 N5 S1	262.0757	262.07602	0.14970599	262.07574	16271	20101	16912	13397	2885	24730	14654	21955	8774	0	0	19539	0	31657	17270	63174	99863	11442	8485	0	0	0	18647	46065	74605	0	29987	0	84550	37271	52744	76595	102875	125956	0	35366	115988	25954	101455	0	0	22683	353	0	0	3087	0	0	68326	23385	22962	16894	9757	470	3553	1925	6479	47450	0	0	35677	0	2442	0	11923	9531	34137	137225	0	0	0	17979	0	10482	38775	16818	0	2591	25361	0	43280	0	0	0	3898	7964	33209	76452	34527	38829	0	0	27243	0	0	0	17532	17853	5044	0	0	120129	14410	0	0	35708	0	0	52055	0	Organosulfur	0.09090909	1.0	0.45454547
6	C10 H15 O7 N1	262.09213	262.0926	0.17551005	262.09216	13095	13717	12422	11757	25736	18092	5742	13646	24298	3864	5980	8942	49217	12950	8214	13412	14961	48048	33899	4016	5213	6568	12340	15315	5256	0	5006	49735	16634	12721	10863	13498	19100	17491	4638	14232	18480	7224	13732	0	1348	21892	822	352	445	4409	3018	0	13194	10933	11721	15012	22086	1103	26106	18351	10866	17082	3847	4089	14980	0	41923	24529	10925	34175	23641	14798	0	0	0	13204	13946	16569	8292	11372	351	8260	6186	3395	5998	1883	2598	0	23824	16186	8179	21904	26861	9760	9798	10583	13714	3305	1973	776	14621	16775	12779	20604	30910	18446	8560	4247	0	11923	22193	426	4383	47916	A-Sugar	0.7	1.5	0.1
8	C10 H15 O7 N1	262.09213	262.09256	0.18968226	262.09216	13851	14264	11765	13943	28985	22405	8320	13291	33070	2753	6918	11336	64187	16154	14097	14158	13515	45102	43803	6274	5387	5682	14255	12470	7248	0	6750	2739	15701	13612	12972	15428	19071	11583	4950	15610	17444	8857	13680	1704	2219	24357	1141	515	778	4009	3541	382	13336	10270	14814	13189	24620	839	37260	24785	12512	13071	3149	3585	10604	1197	46150	34056	12677	39632	21696	12011	0	1504	0	10558	12647	15019	8911	11806	471	12347	7535	2730	4965	2211	2332	0	30442	13631	9201	20815	23124	8656	0	10454	11486	3315	2284	783	12156	17862	20258	28925	32812	20334	9505	3005	0	12419	24658	557	5054	58147	A-Sugar	0.7	1.5	0.1
10	C10 H15 O7 N1	262.09213	262.09253	0.23734853	262.0922	6968	7224	8701	7983	18057	15414	4371	8341	20148	1609	2439	5984	30368	10994	8363	5167	8161	25733	23914	1616	4540	4690	9886	7207	6175	0	4182	0	7949	6000	6509	7291	10103	7899	2330	5770	11721	4707	6665	0	2113	14547	1425	521	916	2957	2649	619	7035	7576	7506	8308	15373	835	23425	13903	7550	7384	2429	2932	0	0	27556	22274	7578	23464	10773	7589	0	0	1454	6121	6365	6601	6015	5463	556	7250	4840	0	2755	1261	1415	0	18378	9329	3997	11900	13224	4572	3758	7541	8134	2372	0	533	9455	7680	12232	13007	17638	13246	6260	0	0	8338	19220	761	2996	31099	A-Sugar	0.7	1.5	0.1
8	C12 H16 O4 N1 Na1	262.10498	262.1054	0.43934226	262.1051	0	0	0	0	0	752	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	628	0	0	0	0	897	0	1041	0	0	0	0	0	0	1158	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1352	1284	0	2318	0	0	0	0	0	1115	0	0	0	0	0	0	21368	0	0	585	0	0	0	682	649	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	634	0	0	0	0	0	0	0	Lipid	0.33333334	1.3333334	0.083333336
8	C11 H19 O4 N1 S1	262.11075	262.11115	0.10879425	262.11078	9289	8704	7297	7689	1675	4120	2192	5084	882	0	0	1856	3067	1341	3443	28471	11960	2227	3268	0	1226	50154	10488	37335	5984	0	1880	0	3603	1528	4392	4023	6263	3431	2496	2191	4831	3375	19238	0	1254	3472	0	0	0	6758	2319	0	6945	2440	8377	8147	2787	0	1528	1039	913	54721	903	0	27377	0	1837	0	0	2939	2866	28505	0	2007	0	2702	1731	1066	2672	3189	0	2630	36072	0	51333	4939	809	0	1275	0	64297	6600	11826	24986	0	0	138091	0	0	0	7618	6899	0	1456	0	3471	2455	0	0	82599	0	0	8582	2876	Organosulfur	0.36363637	1.7272727	0.09090909
14	C11 H19 O4 N1 S1	262.11075	262.11118	0.16186926	262.1108	232276	243556	196903	238175	142423	113867	149002	172667	112780	297910	228944	133716	115987	75827	112225	235980	211651	194791	190344	290493	326705	402102	137611	224933	133166	276531	142969	164438	148795	134701	161946	204295	266232	176387	338555	145852	260786	113110	231459	382767	506210	148159	6815	3676	4038	153020	213155	4970	224304	140895	218191	198536	148389	3742	141877	75794	97332	269611	118426	190106	201068	188435	140592	126895	73274	182278	137118	238838	236495	304854	522307	153503	136770	109144	169235	155682	3353	132460	156745	218257	138688	137341	146439	276599	91500	93340	206634	212547	186680	467822	256350	246615	410144	245709	366501	5758	229610	189450	84877	85323	85340	209320	131195	196066	98339	267903	84759	3615	167707	147240	Organosulfur	0.36363637	1.7272727	0.09090909
8	C13 H15 O3 N3	262.11862	262.11905	0.14199094	262.11865	89556	90451	76875	118330	96208	97207	81000	124161	94166	47206	41055	64520	148726	64326	86356	128426	112752	174897	165695	65329	61478	105566	92202	98186	71187	27757	73199	84346	129426	101478	98048	118240	119625	112323	63695	121319	128208	68166	117635	40820	55789	109886	6646	1089	1380	57729	66112	1116	117166	89795	83350	115677	95677	2618	163308	86392	63423	112769	38733	44296	124248	24221	93706	97948	82163	140270	97552	109453	17904	33171	28249	89923	126585	115494	89273	96649	927	66187	96272	46177	52330	43538	102695	71509	128594	89561	83390	86700	109266	128750	172935	145584	145293	39494	51722	2399	89451	107621	84127	113339	139923	142711	82236	66886	41548	105677	118899	1268	64167	148474	Peptide	0.23076923	1.1538461	0.23076923
10	C13 H15 O3 N3	262.11862	262.11902	0.12756371	262.11865	18517	16891	16135	14814	8124	7593	15723	21048	6421	13574	13325	12202	5763	3248	12202	25064	24359	10275	17449	16392	17635	23847	13716	24031	14323	8047	12549	11354	13703	11982	13725	16196	18349	18636	18301	13777	21107	11947	33891	17662	28884	9791	0	0	0	16250	12671	0	16301	13840	14869	18697	10787	0	8412	3492	7346	31027	5381	15997	21402	10566	8604	7303	6022	10146	10876	33907	7406	13650	15627	14302	12460	8770	17517	11766	0	9734	22068	13890	14662	8554	10188	10473	6772	7955	24363	15149	9911	77574	22768	15547	40882	15824	23012	0	17642	14557	6840	6192	4384	19415	10573	17575	0	23936	7333	0	21068	7960	Peptide	0.23076923	1.1538461	0.23076923
6	C11 H19 O6 N1	262.1285	262.12897	0.115711	262.12854	46429	42970	44906	44311	58292	50855	43864	60040	57988	13414	17772	37439	116517	38557	55608	63614	62269	123280	95278	25041	25595	26826	43224	45605	27271	7321	35325	17875	75073	66922	50688	62102	69761	64900	19300	78389	68188	38634	61685	7622	12049	69071	8511	715	917	25162	20073	716	59772	53524	46233	44665	57464	1966	78399	59419	30968	55780	19879	22348	61188	6691	66741	46124	32956	80145	56381	55908	6505	7190	8403	55526	59298	73983	36524	47977	616	40522	26689	20572	23300	14757	36516	17102	77602	66612	37891	58102	58759	38556	33996	32246	48446	13818	11672	1851	42687	58846	36789	68934	103068	81288	31667	30373	12227	47497	70249	1074	25163	94618	Lipid	0.54545456	1.7272727	0.09090909
14	C11 H19 O6 N1	262.1285	262.12888	0.14609456	262.12854	16890	19059	16714	24704	40282	43387	21395	30457	37855	6489	10689	13184	73364	57466	28265	25720	70218	84063	60807	3371	7869	6469	25318	15927	20518	0	18636	34812	64023	49965	20330	39411	50223	39148	6494	56683	31938	18622	56677	1770	0	44817	3792	2181	2303	4266	0	1957	27886	29850	16169	15463	49339	3273	53096	33714	16037	29359	0	0	22153	0	37296	38900	25108	49136	48823	34800	0	3485	1755	20760	44480	56794	93722	37354	1926	21656	11734	0	8424	3460	5319	1644	45493	37287	18359	33526	34084	12918	23102	15288	18242	5510	3283	3365	19383	40245	28989	33430	59425	66564	17278	6726	0	18653	54579	2640	8134	40375	Lipid	0.54545456	1.7272727	0.09090909
12	C11 H19 O6 N1	262.1285	262.1289	0.10231023	262.12854	24921	29081	31192	27631	75073	76294	43847	62339	63917	9872	16203	31797	96025	71533	53004	35574	79053	143474	128862	18024	22177	12345	45394	18520	39655	9300	17031	46159	106169	41022	53846	41156	84227	68206	16551	66981	53208	34425	75237	4509	8624	69071	6221	1473	3169	11288	7707	2776	47055	39080	29327	27794	74946	3600	98263	53095	38062	38000	13947	11352	26364	6595	66396	59207	38930	98298	78593	59562	0	8216	7066	37429	60103	59820	38102	40743	1402	46240	19728	23282	16578	8948	29443	18603	84081	62666	34713	46333	71328	24257	39914	42055	32231	7329	6287	3574	31866	47889	54983	61425	98825	44027	32863	10676	0	35159	93591	2597	22083	92637	Lipid	0.54545456	1.7272727	0.09090909
2	C11 H19 O6 N1	262.1285	262.12903	0.15610962	262.12854	25908	28769	23410	25866	50444	53577	11812	32031	35341	10819	5675	18773	80302	41141	17092	14104	17024	76385	49202	13875	13721	27839	17854	23278	10424	814	3344	5129	44367	22716	32047	28417	49601	49242	20069	28708	43646	12998	23129	7741	3975	28623	1331	461	543	11736	6153	357	38655	16776	27472	28098	38764	558	40585	24262	14886	43261	10338	6136	18329	2138	61416	35933	35450	64874	38229	26275	2363	4593	2085	54434	46522	33675	6104	29001	590	17984	14639	0	10686	4911	4084	2343	22440	15031	15019	41460	37730	17487	26433	29903	65988	4743	5524	736	26263	29172	22809	28692	29804	28923	13757	18253	4177	36096	24972	443	11679	107506	Lipid	0.54545456	1.7272727	0.09090909
16	C11 H19 O6 N1	262.1285	262.12885	0.14635713	262.12854	6908	5927	5921	6723	8808	8323	7348	10039	5356	1661	2353	10840	9843	12897	5534	11978	20508	13528	8244	0	0	0	7653	4041	3439	0	6183	18992	11137	13156	9596	16326	11468	16195	0	15865	8913	6222	15540	0	0	10697	2381	2103	3087	0	1509	2383	19690	7978	5071	4401	8417	2355	6027	6588	5720	8355	0	0	14250	0	3231	3556	6125	10137	10972	17236	0	0	0	12956	12389	18890	22048	11360	2375	5142	3705	9694	2643	1402	1709	0	7467	7563	7584	11071	10248	0	7487	6014	0	1656	0	2430	8958	8419	5974	6617	10422	10206	4276	1811	0	0	8023	1968	4980	7044	Lipid	0.54545456	1.7272727	0.09090909
4	C11 H19 O6 N1	262.1285	262.129	0.12828171	262.12854	32454	34751	30603	36227	25422	28821	28655	44795	30765	11455	11596	32416	55357	20815	26334	43245	61062	62699	39308	14270	11918	18627	22411	34339	18133	2316	29224	9766	44435	38232	47334	45155	55596	47694	13363	51852	54874	24516	68149	5249	6278	33685	4361	765	878	16522	11312	814	49595	40270	33444	27112	28933	1212	34870	31265	18980	41420	12361	14359	43042	3684	36931	28705	20198	51034	28776	53661	3616	3841	3699	49205	46811	60944	25561	38639	429	38218	19599	7648	16522	9116	12633	5159	38000	30461	19659	36299	38696	25793	19259	18578	36999	5504	5638	1944	30192	36829	28701	36775	46333	57191	28789	19567	9178	34344	35964	635	16020	55131	Lipid	0.54545456	1.7272727	0.09090909
10	C11 H19 O6 N1	262.1285	262.1289	0.1183029	262.12854	68205	55816	63395	50370	105362	91890	61411	74152	90781	22465	31958	48144	151546	71789	66494	70297	80946	180233	145096	37997	37759	23205	61648	41851	48412	11996	36272	171548	105197	76370	58051	86754	90633	91322	26548	99529	99680	49890	77667	10183	16134	94734	9190	1470	1995	26974	18033	1489	77958	62256	65553	58291	87870	4068	121273	79575	42206	77468	23635	25041	81604	6769	84627	79228	55755	130580	86507	65854	7445	12872	9936	63453	75277	93782	70929	67863	1398	47157	34126	40836	30396	19651	48179	30285	137202	80139	50951	69841	74081	31085	42827	43657	49225	19688	19256	3112	59695	77515	68703	105678	155715	107412	45818	41947	0	51099	127190	2245	36467	114226	Lipid	0.54545456	1.7272727	0.09090909
0	C12 H20 N3 S1 Na1	262.13483	262.13516	0.09450775	262.13486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7826	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24267	0	0	0	0	944	0	0	0	0	0	9250	2617	0	1215	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.6666666	0.25
6	C15 H19 O3 N1	262.14377	262.1442	0.091280214	262.1438	166940	183408	161058	167854	75239	60929	109510	197004	62794	366742	172556	100856	71285	52260	105286	224648	163131	96793	144733	378542	435743	212791	105806	207058	98307	278397	109126	149271	150235	162891	156045	191898	230417	171543	421904	162902	208754	100425	222727	196395	250647	73006	2326	1052	1044	134298	147183	1192	220748	162649	183292	175333	79539	1293	103699	34130	43269	208481	16740	118789	193816	113596	74983	63829	37984	92110	87295	236720	202975	351292	427410	170220	155544	159544	142344	158599	982	91141	110729	117743	103076	49244	59717	178811	43100	41418	129788	87898	88779	324705	166793	101640	277236	158420	270382	1069	164656	151483	41630	34796	47325	205706	96348	186461	61580	169480	42852	977	106781	101767	Phytochemical	0.2	1.2666667	0.06666667
8	C15 H19 O3 N1	262.14377	262.1442	0.10368999	262.1438	107737	118519	93265	105156	41147	36887	60238	117676	32905	213936	111113	58197	36995	25003	57939	125723	95855	52341	75722	269152	280090	125576	66075	131064	57006	201628	71614	106739	101897	102935	87701	125957	134539	109348	245895	108832	133907	56774	139470	164533	176599	49574	1781	1179	1002	93041	107164	1213	132568	97823	99893	101908	46042	1016	47027	18052	27686	104696	14012	67079	116082	79412	41598	39064	23505	50804	43220	129694	146775	241291	284860	113742	105678	92714	92519	113503	1021	69577	72696	89084	60319	33111	33217	123488	26748	22180	72064	53736	57956	198943	109868	71003	177277	99765	171064	1599	102778	101081	27242	26141	24327	123999	60714	106524	28944	96086	25783	1165	72118	54298	Phytochemical	0.2	1.2666667	0.06666667
12	C15 H19 O3 N1	262.14377	262.14417	0.13886671	262.1438	85802	87874	99777	86465	41942	25580	47602	60590	29350	146783	96134	39117	17614	18386	36183	96962	71343	42969	51259	179867	193428	157131	38096	91049	41301	203607	58937	77442	51741	58298	60875	68491	81123	55157	162433	57720	75317	37035	97413	156258	218573	34359	1739	1620	1331	90569	121254	1451	86326	56289	91418	100705	31833	1513	32049	18453	24239	89098	30580	72399	77651	80294	31335	26304	19200	37864	31707	86161	143873	214591	286271	54977	52587	53022	94568	64481	918	40290	51668	72234	42173	53888	56117	95629	25121	20890	57303	38544	38081	133988	128292	100674	114237	87489	181284	1802	79271	83429	25209	19503	18691	80683	39991	85891	34563	65511	24272	1520	47152	35195	Phytochemical	0.2	1.2666667	0.06666667
22	C15 H19 O3 N1	262.14377	262.1441	0.188657	262.14383	15737	16897	16368	15213	18396	15004	8623	17952	8912	24116	30677	9224	5342	8119	9807	16323	19877	14491	11988	31271	37100	22710	12595	21911	11604	7430	7550	27548	21426	16303	13492	19084	20612	18493	14722	20505	23427	8819	18229	23655	42450	9331	0	0	1603	13615	21608	0	19157	17101	14628	19526	15192	1820	8816	6467	7641	21134	10946	21861	19779	20172	7062	10005	8377	10097	11556	17967	9822	6937	13123	16775	17090	17186	11091	20666	1883	9100	10763	24542	7712	11880	11962	16758	6643	6514	8980	14915	14912	26281	21361	21929	28431	20450	25930	0	11085	17743	11296	8447	6413	20644	13370	21380	11691	21042	10682	0	12941	12273	Phytochemical	0.2	1.2666667	0.06666667
4	C15 H19 O3 N1	262.14377	262.14426	0.12891218	262.1438	304028	322240	289250	314254	111852	98686	164749	296951	92782	471879	232470	181231	101747	58394	161017	414582	292132	167626	222379	481201	570952	455054	213838	421566	172384	304445	174760	210713	252661	200090	252030	288322	345528	240935	608362	266684	324480	176934	331584	327179	380032	125091	2044	1164	1338	237723	229393	1588	331005	264591	313212	269050	126932	1788	155922	44599	72835	455926	32621	134387	404442	193991	120023	119578	52959	150284	121106	345597	255671	368034	480212	243638	244066	242255	296716	233738	873	188124	277700	175728	221672	82487	101475	243802	76589	67327	308135	145963	165595	1589660	272867	173901	552967	229198	368438	3102	282354	314132	72606	58095	55064	292264	171903	288765	103226	291550	66404	1647	250259	139676	Phytochemical	0.2	1.2666667	0.06666667
6	C14 H19 O2 N3	262.155	262.15543	0.052473076	262.15503	7262	7669	8364	7876	2658	3681	3461	6798	1862	14656	6505	3978	727	1508	5831	10373	6547	2425	5273	14861	16981	10308	4280	11877	5395	5657	4444	7919	7011	5994	5444	6122	10021	8996	16025	6195	9502	4632	9308	8701	8351	2987	0	0	0	8366	8414	0	9274	6245	6537	7596	4654	0	2173	0	2137	11528	1230	3571	11067	4638	2004	1566	1167	2343	2532	13671	4072	7141	8136	6480	7113	6568	8521	5858	0	3960	6917	5458	5803	2335	2153	10543	915	1555	8029	5017	3933	29767	10525	2814	20367	6709	12463	0	7415	6980	989	529	722	8734	4739	8522	0	10220	722	0	6753	1875	Peptide	0.14285715	1.3571428	0.21428572
22	C14 H19 O2 N3	262.155	262.15543	0.12821227	262.15503	0	0	0	0	0	0	0	0	0	2757	6165	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16910	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1570	0	21357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6785	0	0	0	0	0	Peptide	0.14285715	1.3571428	0.21428572
4	C14 H19 O2 N3	262.155	262.15546	0.030053783	262.155	12969	11914	13316	13752	3124	6439	7866	19207	2295	10787	5505	8470	1285	1037	12872	26901	14850	5454	9648	14237	13894	27635	14627	33669	19432	5571	8129	7288	16811	10765	15766	19112	22298	12645	17444	14303	16667	8157	17245	8414	8404	9251	0	0	0	10123	7897	0	20758	14892	13151	10607	9119	0	2575	513	2788	31136	862	2964	27650	6623	1842	2745	3240	5702	11702	16926	4009	5942	7177	12931	10924	8289	18648	12376	0	9536	13055	10137	10540	2207	2442	9766	1106	3600	13359	8992	10479	32979	15969	5674	94441	8346	13256	0	11986	15300	3897	383	964	18881	9261	12670	3331	36395	1600	0	13898	2464	Peptide	0.14285715	1.3571428	0.21428572
20	C12 H23 O5 N1	262.1649	262.16522	0.1672316	262.16495	2548	1803	1619	0	2972	5495	0	7085	2184	0	0	0	4276	4802	0	0	0	9910	6483	0	0	0	0	0	2223	0	1424	0	20180	9807	9406	10980	21150	13892	0	12965	22383	1321	0	0	0	3198	0	0	0	0	0	0	11679	4545	2258	2839	2881	617	3756	0	0	3896	0	0	2109	0	0	2223	4320	3112	5576	0	0	0	0	6979	17827	16834	1656	10772	379	3784	0	0	0	0	0	0	0	1315	0	1697	7354	0	0	0	0	0	0	0	1683	2922	1311	0	0	18485	1093	0	0	3253	1695	0	0	4910	Lipid	0.41666666	1.9166666	0.083333336
4	C12 H23 O5 N1	262.1649	262.16537	0.080144554	262.16492	4431	5787	5618	3998	15347	7146	2368	2910	4847	2098	1648	2073	20159	6854	3162	3483	3095	12095	9104	2356	2538	4364	3925	3685	2406	852	1553	3922	4510	2520	3382	4024	6401	3659	2726	3745	4238	2294	5397	1926	1189	3499	0	0	0	3135	1379	0	4514	3107	5912	4135	8690	676	7401	5261	2439	9820	2500	1348	4739	0	14625	5065	3000	11292	3708	4333	0	0	0	2859	3252	3666	2354	3144	0	1810	2473	7165	1709	992	2274	1730	4732	3864	2934	4291	3884	3400	13828	10498	9644	2595	2528	0	3866	5038	3480	7314	7862	5123	1558	3291	0	8128	6327	0	1657	18997	Lipid	0.41666666	1.9166666	0.083333336
14	C12 H23 O5 N1	262.1649	262.16528	0.15114392	262.16495	2548	2164	2180	2469	3230	3498	30755	6219	2458	0	0	0	2249	15854	4144	5014	7060	4576	3746	2094	0	0	3407	0	6590	6455	8918	0	7834	3239	2186	0	4038	4803	0	5276	2480	3015	5270	0	0	5456	0	0	362	1427	0	0	3473	1714	2713	2110	3956	1257	3277	2496	946	3226	0	0	0	0	6047	2435	31163	8032	7105	4227	0	0	0	1899	2016	6361	4411	3992	0	2334	2002	0	0	0	44952	24739	5825	3571	4877	3214	2747	0	0	2091	4136	0	1962	601	0	2584	1403	2535	4189	3452	2517	2323	0	3639	3731	0	0	2521	Lipid	0.41666666	1.9166666	0.083333336
12	C12 H23 O5 N1	262.1649	262.16528	0.13688764	262.16495	4231	3411	4242	2190	5151	6951	50895	6945	3741	3359	3268	2355	11248	41646	5632	2147	9497	6461	7598	0	2771	0	4436	0	7366	10343	4516	0	8665	4554	6286	5162	9815	6382	2104	9011	2728	3888	9350	0	0	5816	2563	0	311	3227	0	0	8337	5521	3149	3245	6173	2674	5514	3692	3288	4239	0	0	0	0	15646	3110	53498	16165	10956	6342	0	3174	3072	4569	4519	7169	3064	5010	496	2934	1751	0	2765	2435	65369	41663	5917	7672	5125	2810	5095	0	4673	3939	8059	0	1360	438	3819	6011	4594	3285	6960	3404	2830	0	0	4488	4318	359	3775	14351	Lipid	0.41666666	1.9166666	0.083333336
16	C12 H23 O5 N1	262.1649	262.16522	0.22083734	262.16495	1645	2983	1986	2126	0	39249	16323	3230	1377	0	0	0	0	12720	1818	2100	1486	11763	5901	0	0	0	1478	0	2787	2351	4324	5689	5530	2240	5497	3026	2670	4051	0	6389	12808	1522	2690	0	0	2559	3864	0	389	0	0	0	4261	1253	0	1547	2027	4483	2649	0	2315	2451	0	0	0	0	0	0	20858	2181	6966	1421	0	0	0	4048	3613	7085	0	0	285	2189	0	13528	0	0	23395	10853	1518	3122	1500	1732	3381	0	4300	2107	0	0	0	1147	1765	5007	0	1837	3745	2154	0	0	0	0	1533	396	0	3774	Lipid	0.41666666	1.9166666	0.083333336
14	C16 H23 O2 N1	262.18015	262.18054	0.19722801	262.1802	69528	60737	59729	61312	4729	2473	6042	411283	1367	15444	19950	73273	0	2847	853241	398235	291315	2171	3889	16078	19120	8298	9540	11187	39322	23194	7760	72009	124790	28980	408877	20492	11898	23031	20167	29435	12327	820471	168234	15019	7290	9690	0	556	0	5705	8329	0	483289	165841	53899	56638	3836	0	0	993	5708	260229	0	5483	335853	6283	2135	1202	7628	5407	13195	813259	46807	28912	92657	196420	25622	58606	47944	44155	0	101339	4425	15601	32149	1969	0	6829	2064	0	5839	6513	5057	45574	38626	2216	18856	5954	13611	540	57737	69715	1744	0	1287	9731	82848	3262	0	66341	1193	465	20315	0	Lipid	0.125	1.4375	0.0625
16	C16 H23 O2 N1	262.18015	262.18048	0.1178682	262.18018	9136	9461	9661	6234	6511	5761	5168	41639	1527	15274	13016	3968	0	17582	3232	15960	8092	7290	7903	13237	16727	4856	1191	5991	3460	27133	3061	8667	10711	21317	72061	7818	6570	4057	9852	18413	16796	3187	10543	11640	16963	5228	0	0	0	7291	11551	0	34840	7687	7415	9074	4741	404	0	0	918	8024	0	5397	7410	4973	0	0	2255	5791	3519	11322	19983	23484	27442	8630	6670	14909	29741	9274	0	1080	10912	7788	2637	2199	2359	8121	0	1199	13501	5500	3742	118961	7784	2610	0	6654	6360	0	6981	7973	2778	0	0	5904	1208	2683	3858	0	2926	0	2568	0	Lipid	0.125	1.4375	0.0625
24	C16 H23 O2 N1	262.18015	262.18048	0.22213145	262.1802	2220	7117	3416	3914	27062	8581	1272	3060	8011	0	3660	1980	1488	5498	3046	6017	2576	1525	2038	2701	4517	2916	0	3798	1497	8906	1716	2324	1591	3455	0	2264	3264	3105	0	3314	4443	1417	3688	3846	9345	1580	0	0	0	2180	8021	0	3556	1335	4994	4744	10703	0	3818	5204	2557	3952	0	4797	3357	3311	0	2337	0	2020	2825	2679	16765	2880	9513	3598	3485	2188	3138	2506	0	1190	3731	6451	2559	3486	2703	4261	5760	0	5895	3307	3259	14401	3246	3140	2542	8550	2763	0	3541	3440	9669	7165	6127	2837	1733	3077	2277	3198	23989	0	1964	1282	Lipid	0.125	1.4375	0.0625
10	C16 H23 O2 N1	262.18015	262.18054	0.14495657	262.1802	27138	25678	26362	25706	18506	15591	23082	33180	5345	88038	40085	19697	6087	12122	14466	26926	23897	10155	16057	95478	91974	19010	12251	27635	13597	33996	32851	36863	27546	27423	23447	35152	49324	32046	91342	26780	43436	15968	32502	40995	12902	14419	560	0	0	14452	18385	0	42838	24520	29551	26773	16558	0	6006	1409	5867	35863	0	4592	32034	12030	5634	5908	5406	7862	19556	56462	21024	44038	66891	26449	26634	24425	29221	27497	0	20381	11243	20201	9959	1102	0	26159	2996	3432	12064	11879	17366	32018	55538	3309	32797	22874	58977	0	26596	25353	7898	1490	2214	39192	20022	15877	0	26583	5511	0	13667	5066	Lipid	0.125	1.4375	0.0625
22	C16 H23 O2 N1	262.18015	262.18048	0.13492164	262.18018	8517	6318	7684	5869	8232	6533	6821	5174	5340	7573	13871	6414	0	5159	4803	11062	10286	3071	5818	12291	13286	9826	3701	8741	6282	31282	6327	13158	6874	9101	5589	8429	5048	9341	6347	7666	7599	3859	11184	9343	24390	4743	0	0	0	9708	30964	0	7858	8670	8430	7636	7510	410	3578	2908	2301	9753	3908	14273	8882	9199	2270	2383	2754	5087	4201	14287	25787	19926	27925	7290	6627	10153	14926	7201	0	2133	5483	24066	4592	11405	7660	13208	7270	2652	9640	5431	3672	47216	14278	12222	16164	19975	15220	0	6850	6484	5638	14103	7681	10313	4335	10385	10878	7597	19767	0	8649	1851	Lipid	0.125	1.4375	0.0625
2	C16 H23 O2 N1	262.18015	262.18063	0.033068243	262.18018	71366	71764	68188	64422	2067	0	58973	179314	2550	61561	27529	73555	1322	2891	75501	191007	101424	10108	18185	98173	77614	53572	66590	176919	72515	15461	88585	23380	138639	147115	146816	157350	103303	128447	59271	169858	118129	63121	111352	71063	34612	22341	211	0	0	37605	32886	0	191358	159058	64216	67375	9865	0	3438	1083	8439	133415	1144	2504	160912	25581	1329	4323	10237	7079	24317	127337	10634	19294	21120	144291	138837	179863	176751	135714	0	85034	58795	30401	64138	5154	11864	48003	1961	7648	41990	20222	30205	112402	77422	19461	152467	29584	103409	0	70831	73275	2423	800	1208	116361	64681	129549	12290	109395	759	0	61342	2229	Lipid	0.125	1.4375	0.0625
18	C16 H23 O2 N1	262.18015	262.18048	0.1369224	262.1802	15185	15051	17290	11770	8227	6719	6555	12999	2580	26015	24112	2976	2494	12443	5381	21350	12016	3068	7488	32156	31036	15789	3595	11466	6017	63019	8649	18085	6575	8314	13346	10756	11622	5884	19280	10565	6561	5905	13497	24198	52005	7770	305	0	0	19597	36118	0	13463	6904	12411	13298	6254	236	4923	1765	5325	15572	1866	16658	15335	15701	0	1930	3396	2790	6811	15808	52132	47133	77276	5939	6420	11393	13647	9576	0	3108	10627	23592	3291	18571	5634	27702	5678	2651	17359	7811	5119	62152	21577	20020	18952	13194	28610	0	14007	11364	4647	4495	3140	6695	4684	8399	12047	8304	5432	0	9027	0	Lipid	0.125	1.4375	0.0625
4	C16 H23 O2 N1	262.18015	262.18063	0.0753049	262.18018	77716	92357	86324	86775	5333	13374	65795	213953	3811	87599	40706	83161	4084	12552	57945	184077	112251	14586	25897	123428	116056	59110	48453	143899	61919	29676	85087	41187	129194	130382	150606	169973	141880	130516	105768	155192	136326	56213	123576	74102	27414	25521	0	0	0	39214	37240	0	209322	206797	87662	76092	15834	0	7425	4384	10882	149245	0	594	164768	28777	3501	9323	11292	13011	26847	154264	18187	36818	44116	147892	141398	180889	186457	120710	0	84667	57157	42775	58472	2846	5507	55499	2882	8666	53301	33626	40739	172549	107448	14501	200791	48411	110250	0	84281	84858	3394	1691	2071	123164	69176	90694	16335	122133	2703	0	63538	4731	Lipid	0.125	1.4375	0.0625
8	C16 H23 O2 N1	262.18015	262.18057	0.12105821	262.18018	46792	51142	46620	50020	70490	35891	33184	46130	10756	117297	64109	33134	17595	154120	25032	60122	42639	23877	49841	139794	121720	33072	25048	55880	24845	62724	50383	58940	45970	42838	44220	62238	66831	52499	132083	41958	63067	25606	44777	58518	17628	34532	0	0	0	30257	22358	0	67140	39570	43653	51621	55531	0	14827	8106	11695	74208	0	2233	56339	20201	8470	13036	14371	21083	42097	56146	32590	69367	63262	52449	50726	41199	51894	52778	0	30733	24218	33220	21656	1942	2934	51635	8929	12036	28904	31366	29824	75710	75507	6462	78021	34173	74660	0	50022	42139	9179	3606	6118	56844	25044	29860	6677	47490	21999	0	25642	9163	Lipid	0.125	1.4375	0.0625
6	C16 H23 O2 N1	262.18015	262.18057	0.08132415	262.18018	97151	111222	102760	97661	12463	24262	294301	188494	12464	160319	77585	104496	6522	14870	89338	228851	108781	23743	39559	176120	181749	64833	68030	176979	129297	52630	406767	78167	157366	148088	143976	203539	183041	198398	176452	176658	173981	80553	147468	64719	23224	40979	0	0	0	49522	40520	0	213705	149045	104332	101586	28438	0	13830	4734	21959	225677	0	756	209217	26205	7400	9973	21936	16825	49652	197709	37047	76532	71681	164457	148999	169022	142365	142800	0	102639	79008	46712	68056	3615	3988	75652	3678	21238	95217	68299	87643	267680	102665	13032	216469	50783	126548	0	104340	95263	7116	2125	3545	160198	97749	73998	14333	172888	4836	0	96943	11713	Lipid	0.125	1.4375	0.0625
20	C16 H23 O2 N1	262.18015	262.18048	0.12166601	262.18018	10988	11545	15733	13335	6181	4329	7812	11653	4168	30197	28831	6200	1964	6835	5911	18161	15485	4289	3697	30883	41414	31211	5765	14094	8829	62997	6826	25444	8421	11127	13113	10751	8809	10796	25786	13118	9594	3826	15449	36929	70646	4854	0	0	0	27698	57193	0	13174	6155	18079	14905	7317	632	4208	2899	2850	14582	7541	27640	16007	23265	1785	5435	3086	2395	8816	16981	53423	49873	87296	8428	10987	11595	33588	7929	0	4003	9830	38403	5996	22436	19388	26289	5879	3676	17756	7727	5920	61051	29353	30506	29601	32475	35020	0	16248	16921	8849	2620	6192	14409	5800	17622	24811	18007	9083	0	7389	2821	Lipid	0.125	1.4375	0.0625
12	C16 H23 O2 N1	262.18015	262.18054	0.0956918	262.18018	19998	18988	19029	22032	5890	5028	14286	36181	2709	32359	22811	17794	0	4409	16600	61829	51021	5616	10703	51499	44882	9913	7520	32999	12344	26294	17176	26868	30669	27834	42197	28807	36343	31085	40088	27353	24143	17926	61552	21706	11853	9483	334	0	0	14804	13173	0	47225	25239	16812	16699	7008	0	2573	0	3195	45702	0	0	39427	5076	1770	1198	3501	7387	7862	70818	17337	27267	36269	34416	27405	27504	39627	22138	327	16766	7816	0	10207	1067	0	15011	1254	2936	10728	17182	10585	29968	31412	3211	44960	8296	28086	0	20986	24689	0	1265	1576	35083	14696	8684	0	53138	2565	0	9341	4818	Lipid	0.125	1.4375	0.0625
2	C13 H27 O4 N1	262.2013	262.2017	0.034210306	262.2013	7132	10878	6813	5827	8874	0	0	648	599	0	0	0	0	13721	0	342125	0	53900	0	0	339	507	0	2651	353	0	0	1004	1831	782	1023	34865	901	1876	0	1073	0	0	0	3130	2318	0	52559	0	0	0	743	0	2794	670	7295	7048	837	0	708	0	446	622	0	0	2336	0	0	0	0	1357	2595	879	0	0	0	585	2700	826	13990	973	0	358	0	0	0	0	0	956	277	509	398	777	2053	38145	0	619	15215	336	504	0	7224	7302	692	0	253	0	0	315	214	0	0	0	0	447	Lipid	0.30769232	2.0769231	0.07692308
4	C13 H27 O4 N1	262.2013	262.20172	0.085944034	262.2013	1836	2564	2853	1796	1750	19494	1072	9663	1262	0	0	337	3043	25681	1635	10221	0	4553	3111	0	0	0	758	2501	622	697	1252	0	1857	2169	4978	4616	1052	4418	0	4689	1713	1023	740	0	0	2383	0	0	0	0	0	0	2126	4822	2826	2337	2204	0	1756	7436	4249	7422	0	0	6595	0	1334	775	2483	2032	5431	0	2074	0	0	1830	5168	4185	0	2951	0	752	2906	0	1009	0	2663	14824	1069	2382	7875	1965	5115	5058	3271	1218	4192	0	0	0	2408	2736	4986	868	1691	1234	556	0	0	5740	3481	0	0	1276	Lipid	0.30769232	2.0769231	0.07692308
12	C17 H27 O1 N1	262.21655	262.21692	0.18603331	262.21658	20880	26124	25400	22418	0	0	0	23484	0	0	0	1963	0	0	5826	122493	2956	0	0	0	1659	5022	13548	65042	42781	1961	2996	0	3063	2499	3588	2546	0	1709	0	2387	0	9213	1376	0	0	0	0	0	0	4891	0	0	8562	5276	20974	21089	0	0	0	0	0	105032	0	0	93413	0	0	0	0	0	1091	5373	0	4795	2240	8774	2070	2181	2036	2957	0	3553	12099	0	11917	0	0	0	0	0	11542	964	0	924261	6821	0	1226758	0	2983	0	23025	20074	0	0	0	0	3449	0	0	262626	0	0	21112	0	Lipid	0.05882353	1.5882353	0.05882353
6	C17 H27 O1 N1	262.21655	262.21695	0.14722054	262.21658	6942	7967	8313	8429	0	940	16907	22363	0	7031	2439	11547	0	0	9624	27401	8639	0	1958	7843	8395	1068	13638	28867	9660	2694	28386	3188	14208	14435	17909	17104	13854	12915	4889	14517	12205	13977	8378	4040	0	3715	0	0	0	2757	2000	0	21398	19827	9419	8796	3454	0	0	0	1387	24559	0	0	24934	1194	0	0	3122	1395	4151	19924	0	2247	0	18950	13394	16680	16788	12392	0	11490	12171	0	12620	0	0	5175	0	0	12080	3036	4567	16972	8627	0	15961	3122	9486	0	7867	6680	417	0	0	11474	9663	2762	0	13489	0	0	9778	0	Lipid	0.05882353	1.5882353	0.05882353
8	C17 H27 O1 N1	262.21655	262.21692	0.16052032	262.21658	3377	4428	4000	3340	0	0	23812	12691	0	5305	3472	5764	0	0	5372	11281	2229	0	0	8868	8363	0	5831	12966	2975	5232	49969	3587	3854	9148	6111	6659	4426	7803	7921	7619	3973	5884	2011	2440	0	777	0	0	0	0	2029	0	10426	12735	2786	4611	0	0	0	0	709	7157	0	0	9203	0	0	0	0	0	2045	7465	0	3058	2215	10075	6472	10777	5026	7807	0	6709	3150	0	3191	0	0	3099	0	0	1533	1357	1314	8078	0	0	6858	1495	7337	0	4047	5091	970	0	0	3932	4941	0	0	5883	0	0	1496	0	Lipid	0.05882353	1.5882353	0.05882353
26	C17 H27 O1 N1	262.21655	262.2167	0.10245448	262.21655	2995	2823	2012	2333	0	0	3024	0	0	0	8022	0	0	0	0	6336	0	0	0	0	0	0	0	0	0	27570	2734	15631	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10884	22868	0	0	0	4039	1935	0	0	0	0	0	3300	0	0	0	0	0	0	0	0	0	0	20391	5933	8145	2651	0	0	0	0	0	0	0	157166	0	140468	0	3876	0	0	8617	0	0	8920	3647	3299	0	24949	0	0	2761	0	0	0	0	0	0	0	87708	0	0	0	7378	0	Lipid	0.05882353	1.5882353	0.05882353
24	C17 H27 O1 N1	262.21655	262.2168	0.14146435	262.21658	0	0	0	0	0	0	1516	0	0	0	0	994	0	0	0	6717	0	0	0	0	0	0	0	1035	0	2250	1596	0	0	1251	1065	0	0	0	0	1178	0	1104	0	0	0	0	0	0	0	0	4435	0	0	0	1156	0	0	0	0	0	0	1716	0	0	5115	0	0	0	0	0	0	0	1757	0	1324	853	0	1587	1866	0	0	0	0	0	0	1402	0	0	0	0	22990	0	0	31452	0	2782	0	0	0	0	0	0	0	0	0	0	0	0	1376	0	0	0	1294	0	Lipid	0.05882353	1.5882353	0.05882353
22	C17 H27 O1 N1	262.21655	262.2168	0.066474244	262.21655	2136	2325	1389	2272	0	0	3317	5319	0	0	0	0	0	0	0	24261	3140	0	0	0	0	0	1432	3265	2364	0	3809	0	3351	3549	4585	0	1288	2381	0	3528	0	0	2425	0	0	1049	0	0	0	0	0	0	2359	3360	1766	2251	0	0	0	0	0	13967	0	0	22357	0	0	0	0	0	0	3613	0	0	0	1877	2596	0	4519	2080	0	1688	1689	0	0	0	0	0	0	0	47377	0	0	266013	3489	0	0	0	0	0	2378	0	0	0	0	0	1874	0	0	0	1202	0	0	0	Lipid	0.05882353	1.5882353	0.05882353
10	C17 H27 O1 N1	262.21655	262.2169	0.15590674	262.21658	2647	2271	2165	1385	0	0	860	3739	0	3390	3393	1164	0	0	2065	5813	0	0	0	4190	3743	0	3302	8060	2833	4852	1221	0	0	2160	1329	2090	1432	966	4332	1393	0	1761	0	1969	0	0	0	0	0	0	0	0	2502	2375	2209	2057	718	0	0	0	0	4419	0	0	0	0	0	0	0	0	0	2769	0	4316	4518	2116	1782	1903	2236	2242	0	1433	1420	0	2799	0	0	1591	0	0	2388	0	0	20268	7124	0	8519	941	7471	0	2262	1718	0	0	0	2210	1273	0	0	3680	0	0	1552	0	Lipid	0.05882353	1.5882353	0.05882353
2	C8 H7 O3 N4 S1 Na1	263.02094	263.02194	1.0686435	263.0212	0	0	0	0	0	0	0	0	0	0	0	319	5766	0	0	537	0	1608	0	0	0	0	0	0	0	313	0	0	579	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	615	0	0	0	0	0	0	0	0	0	0	294	1208	0	0	0	0	2961	0	0	34245	0	0	0	268	0	0	547	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	217	0	0	0	Organosulfur	0.375	0.875	0.5
2	C12 H10 O3 N2 S1	263.0485	263.04898	0.31363475	263.04858	1479	958	1600	793	0	0	542	0	0	0	0	0	0	0	0	1429	0	0	0	0	0	10004	0	2190	3462	0	0	0	0	0	0	0	0	0	0	0	0	783	0	0	0	0	0	0	0	1078	609	0	0	0	1521	1342	0	0	0	0	0	1111	0	0	829	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2503	0	1287	0	0	0	0	0	3052	970	0	70823	0	0	56835	0	0	0	1148	1681	0	0	0	0	455	258	524	22575	0	0	4358	0	Organosulfur	0.25	0.8333333	0.16666667
20	C12 H10 O3 N2 S1	263.0485	263.04886	0.18304266	263.04852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30265	0	0	9236	0	0	0	0	0	0	0	0	0	0	0	0	5516	0	0	5797	0	Organosulfur	0.25	0.8333333	0.16666667
22	C13 H10 O6	263.05502	263.05536	0.20013082	263.05505	11472	14696	11998	13268	29150	18875	6646	4919	26661	7581	6861	8730	32108	27503	9981	8185	6420	36097	23730	4098	4178	8652	14696	15976	8290	5038	8165	4575	3793	3482	6238	5976	9295	3607	12167	2575	8927	10102	7880	4432	4501	9774	5287	3633	5942	8399	6698	6635	3264	4254	8155	14316	22186	3736	26341	24440	15849	9366	3167	2494	5208	3709	46361	25643	9797	38408	13950	6858	2853	3411	3441	3608	4120	2549	3750	4553	4112	5958	24196	11092	21260	8098	2510	3528	39732	20127	21149	12658	15721	9567	10696	7220	7455	6791	8720	5955	11222	16088	19893	34577	31817	6207	7722	4314	3781	6428	18764	3430	10915	51742	Phytochemical	0.46153846	0.7692308	0.0
24	C13 H10 O6	263.05502	263.05533	0.19398217	263.05505	9145	7539	6214	8999	20938	9438	4852	3342	18681	6030	1666	4863	28747	12744	8814	4672	5669	28535	21579	2809	3805	10097	10869	6405	6742	2274	3302	2899	2713	2559	3441	3600	7021	3717	4447	3183	9031	5961	4386	1709	3650	6698	3444	2379	0	5196	3455	5126	3667	3111	5821	6294	12438	0	19853	16216	7744	5550	1878	4191	6343	3207	22704	16058	5489	27043	7087	5728	2837	2797	3497	2578	1867	1625	3527	4576	0	3522	13619	6660	18086	5262	1250	3345	24260	11767	10508	9655	8647	6963	4951	5553	5997	4684	5295	4483	8578	6089	12597	16755	15803	5400	4229	2696	4737	3664	12149	2444	8273	31571	Phytochemical	0.46153846	0.7692308	0.0
26	C13 H10 O6	263.05502	263.0553	0.18344288	263.05505	7088	5074	5521	8028	11692	7368	2807	0	12023	2577	2529	3691	20403	7689	6064	0	0	19808	19176	0	6258	7121	8922	0	0	0	2033	0	0	0	4117	0	4631	0	7122	0	3893	5387	5143	2491	2562	6101	0	0	0	0	0	0	2445	0	4099	7051	10124	0	11160	10513	6073	4197	0	0	0	0	19847	10633	5319	14348	7086	5399	0	2116	3788	3245	2861	0	0	2843	0	3926	11099	0	11652	4692	2733	0	15561	7519	7149	6671	6616	6410	4370	2112	4284	3435	5303	0	7522	6807	7464	14260	12143	0	4518	0	0	3237	5322	0	5000	19958	Phytochemical	0.46153846	0.7692308	0.0
2	C9 H14 O7 N2	263.08737	263.0879	0.25055176	263.08743	3407	3335	2919	4033	3216	0	0	3258	1052	547	0	1135	4076	2247	714	0	875	2680	3297	0	529	2605	975	2471	0	0	0	0	3612	1978	3053	2680	4346	3521	1023	2674	2877	721	740	0	0	0	0	0	0	848	0	0	1738	1152	3526	2632	3191	0	1293	623	0	3818	0	0	303	0	5134	1589	0	5392	4247	957	0	236	0	3902	3159	2117	0	1944	0	718	975	0	824	0	0	0	657	424	1409	3599	3683	3166	30081	10306	3560	853	0	0	1996	2611	498	393	464	3045	1263	342	0	4282	614	0	0	5127	Peptide	0.7777778	1.5555556	0.22222222
0	C9 H14 O7 N2	263.08737	263.08786	0.00713537	263.08737	4314	4586	3968	4451	4299	20943	0	7631	895	1875	0	0	5245	4169	0	0	1257	5845	5995	0	684	4186	1809	6264	0	0	0	792	14555	2107	7587	8465	10318	12227	0	7644	10254	1020	1498	0	0	5700	0	0	0	1710	0	0	8547	4222	4562	3697	5486	0	1227	703	0	13299	0	0	1997	0	8164	1975	0	6645	11765	1901	0	0	0	7502	16144	4376	0	7083	0	1576	0	0	0	0	0	0	0	0	2062	2687	7596	1892	71024	10510	6860	0	0	0	3506	3812	506	0	0	5914	0	0	0	8467	602	0	0	12733	Peptide	0.7777778	1.5555556	0.22222222
16	C5 H15 O3 N6 S1 Na1	263.0897	263.08984	0.017661454	263.0897	607713	642681	580799	633571	866104	666991	426895	506126	875464	687564	447617	359238	1217643	586839	531598	664063	484423	1373855	1320061	728755	692322	668048	551268	534650	451602	332276	389043	378962	488763	419555	465657	529971	775697	449566	866470	480384	764549	426479	488107	606861	498090	568578	53244	29851	43933	402113	385218	44069	566855	407157	616724	627959	765007	30955	1011273	687950	511146	744157	395282	330674	589741	379531	1030052	785456	374946	1045127	680902	441869	358732	554679	453036	430813	430250	410085	413322	504468	34730	351470	655476	460118	479942	369577	365594	392936	787056	553960	684571	620962	700721	701572	559215	611438	667145	446333	599248	47592	607185	625246	645231	726042	819048	692574	347986	447998	248003	510193	668664	34035	455422	1184003	Organosulfur	0.6	3.0	1.2
12	C5 H15 O3 N6 S1 Na1	263.0897	263.0901	-0.51368177	263.08954	1247806	1608907	1333397	1459750	1719403	1146386	962457	1000639	1852460	1874286	1305016	677757	1723665	880959	880445	1253424	1004487	2282086	2514111	1952046	2088588	1746506	1077626	923442	718481	1365392	889032	1060724	1060069	863548	900051	1102078	1502526	991295	2320807	926669	1365387	902254	2437023	1566220	1633890	1066030	83085	56102	72916	998082	1005514	80234	1229689	830651	1420026	1454404	1425573	55829	2382392	1346139	995087	1295629	915894	980186	1219260	1083066	2191018	1800878	766859	1948834	1130822	1000742	1646422	1905410	2100312	791534	867406	832951	1001055	1041505	47791	789575	1199725	970620	1047732	957065	912593	1050149	1529634	1033794	1342394	1048382	1256494	1188478	1254264	1311210	2392224	1121534	1632744	90868	1524670	1485661	1473326	1549885	1509762	1338764	805308	1062388	705838	911595	1512560	63237	739467	2381962	Organosulfur	0.6	3.0	1.2
10	C5 H15 O3 N6 S1 Na1	263.0897	263.09	-0.2655536	263.0896	4015	4005	4250	1958	5321	5647	3827	3081	1706	2389	2252	3805	3077	3416	1943	2140	5002	1772	2306	0	2765	0	1115	0	3113	0	4403	0	1990	3072	2932	5928	16927	6230	2565	3441	7927	4308	6228	0	3205	3324	1056	0	0	0	0	610	4975	1526	3449	3313	5264	0	0	1403	3741	5192	0	2489	0	0	3676	4333	5417	5243	6587	6838	0	0	0	3453	2965	2437	243919	4725	0	2880	1691	0	1321	2655	7304	6318	2351	2358	2180	4515	5086	3023	0	2557	0	0	0	0	5090	2403	2634	3122	1809	13448	3495	3444	0	1237	7010	0	2283	1973	Organosulfur	0.6	3.0	1.2
12	C11 H18 O5 S1	263.09476	263.09506	-0.047080092	263.09476	7571	9586	5972	9985	7831	12889	5050	2518	15174	1806	0	1375	12721	16403	20060	16681	2289	21511	24893	0	0	0	10571	4118	41071	0	7325	0	7542	6720	5994	14189	11497	4510	2882	10542	15800	10421	5159	0	0	8670	0	0	0	1788	0	0	8322	2913	5895	6339	12140	0	15701	3878	4629	27222	0	0	0	0	4989	6762	7546	11864	17395	0	0	2536	0	1509	2369	5368	5109	6309	0	4348	6373	0	3274	1624	948	0	4340	12094	15684	6394	15360	0	4621	2487	12849	0	0	0	8170	8823	6330	2905	3546	15171	4818	0	0	11467	5310	0	7133	14620	Organosulfur	0.45454547	1.6363636	0.0
16	C11 H18 O5 S1	263.09476	263.0952	-0.19557384	263.09473	607713	642681	580799	633571	866104	669395	426895	506126	882121	687564	449212	359238	1222281	586839	531598	666529	484423	1373855	1320061	728755	692322	668048	557054	534650	454383	332276	389043	378962	490365	421133	467098	529971	778931	449566	866470	480384	764549	426479	488107	606861	498090	568578	53244	29851	43933	402113	385218	44069	569249	407157	616724	627959	765007	30955	1011273	687950	511146	747557	395282	330674	589741	379531	1030052	786930	374946	1050209	682068	441869	358732	554679	453036	430813	430250	410085	415348	504468	34730	351470	657306	460118	481918	369577	365594	392936	787056	553960	684571	620962	700721	701572	559215	611438	667145	446333	599248	47592	608801	625246	645231	726042	820299	692574	347986	447998	248003	510193	668664	34035	455422	1184003	Organosulfur	0.45454547	1.6363636	0.0
4	C11 H15 O4 N2 Na1	263.10022	263.1009	0.4943757	263.10037	0	0	0	0	0	0	0	0	0	0	0	0	627	0	0	725	0	343	399	0	0	0	0	0	0	0	0	0	0	0	0	0	838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	452	0	1057	1042	0	0	0	398	0	0	0	0	0	0	0	0	343	275	21371	0	0	276	0	0	0	0	419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	562	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.3636364	0.18181819
6	C11 H15 O4 N2 Na1	263.10022	263.10077	0.72136706	263.1004	276505	309421	263988	277165	238963	163895	207852	263182	218382	263021	183794	202086	197723	123487	223037	368416	316275	292809	357552	239446	317551	331275	256263	363271	172475	105474	195692	146944	227508	212728	249687	286529	435077	265190	309206	223545	404518	220818	440373	194424	374330	227777	3397	1325	1396	214296	239461	1399	331507	229427	292636	281174	246263	1624	239562	136793	140947	364452	107967	209978	328745	164693	232264	180413	112513	242459	251238	455837	171652	211088	327114	219505	197116	155202	231222	201710	877	179762	255530	167914	222479	140853	123661	132294	176472	163714	311068	292577	278437	653284	267381	229541	564695	199588	235434	2289	261779	247141	124487	144396	174410	404407	200660	210941	94734	376312	154027	1460	210919	296948	Peptide	0.36363637	1.3636364	0.18181819
20	C13 H14 O4 N2	263.10263	263.103	0.26535392	263.1027	4788	7158	5928	4620	4444	4441	4698	7655	3247	3035	2089	7248	3306	3652	6104	12757	14076	4285	8301	0	0	9082	5523	16399	6038	0	5881	3638	10140	8020	7001	9448	14551	13693	0	6945	13436	3133	11695	3131	7247	8351	1627	2354	1901	3392	3070	2660	8904	8244	5487	7191	4499	1555	2576	2091	3714	12613	2217	3162	13253	4102	4181	2741	2972	3874	5659	16906	0	1582	1686	9354	5287	4680	8823	8017	1574	6478	9330	6912	5797	1329	1973	0	3234	2736	6756	14471	12116	22893	6309	4465	22017	4181	0	2700	10926	5194	2567	2888	4222	15132	6454	2953	3149	15002	1660	2732	7754	3395	Peptide	0.30769232	1.0769231	0.15384616
18	C13 H14 O4 N2	263.10263	263.10297	0.181021	263.1027	25805	22650	16433	16752	14378	12235	31626	21336	6995	4442	11168	19404	5311	9065	13616	31912	52898	14840	12312	6546	6559	21469	14994	18969	16902	1986	27302	9812	23062	27425	23121	22157	37600	25353	5956	28260	33041	18577	51466	11549	17053	14076	1964	1420	2193	8219	6228	3076	27229	19924	16028	24042	15344	1555	6496	6643	15327	25501	8689	12900	22305	6614	7072	6387	9273	10402	17537	56266	4348	3579	4442	27340	22747	17789	33040	26518	1306	17569	22066	15278	19163	7754	6833	5074	9373	12541	22548	26735	21238	49851	30737	14488	46660	8251	8147	2109	18258	15388	6782	5020	10284	33771	17005	11552	4359	28703	5913	1810	31164	13996	Peptide	0.30769232	1.0769231	0.15384616
10	C13 H14 O4 N2	263.10263	263.10303	0.09511027	263.10266	228782	208948	200057	193653	173677	121871	157026	209390	136124	205422	151311	167067	164391	70116	157525	310348	254292	257797	241169	184179	233174	334842	180889	305246	159500	129612	184208	115986	173292	156649	153116	180037	253423	175390	222798	157827	255439	155772	330962	258110	355957	143194	4655	2509	2294	157024	169727	2542	215228	182838	225364	206842	156259	3185	171196	101899	91077	292916	125095	192426	278841	149681	139335	134090	89008	187398	133730	339006	173406	212796	281379	178140	154725	117180	192259	161355	1970	124871	251648	171362	203290	129599	130354	122250	128131	105657	262941	198754	160614	560693	200076	192274	444142	194749	261467	3699	221365	215444	102205	101857	114217	220258	144224	179271	86106	263784	137314	2734	216401	175387	Peptide	0.30769232	1.0769231	0.15384616
2	C10 H18 O4 N2 S1	263.10602	263.10648	0.05263612	263.10602	2053	3231	2414	2067	747	0	0	943	536	651	1172	0	983	834	409	295	522	1411	769	0	0	1750	538	752	403	0	0	1744	939	0	558	815	1506	914	0	889	866	626	521	0	0	0	0	0	0	676	0	0	1248	618	1652	1941	729	0	1068	560	0	1695	0	0	0	0	1141	0	0	672	706	722	0	0	0	605	710	641	0	881	0	408	428	11034	560	0	0	0	507	0	409	1053	1100	0	280044	76774	0	1358	678	0	2169	2451	0	297	0	619	0	550	0	720	482	0	0	1238	Peptide	0.4	1.8	0.2
24	C15 H18 O2 S1	263.11002	263.11035	0.3048587	263.1101	3649	3275	2805	3880	2501	2149	0	0	1008	17410	21537	0	1707	1249	1706	1988	1484	1266	2400	21506	21564	17534	0	2004	2106	7122	0	26500	0	0	0	0	1190	0	19130	0	2137	1067	1541	11907	12811	1153	0	0	0	9209	13928	0	1315	0	4369	2472	2186	0	1610	1927	1157	2200	5553	7252	2204	9511	1599	0	0	0	3133	2790	2983	4381	8920	0	0	0	0	0	0	1171	2126	22944	0	10486	4257	11323	2848	0	4265	1231	2414	8774	29578	23666	5183	27772	31867	0	3603	3674	1894	2006	0	1426	0	8199	12556	1440	3470	0	2043	1534	Organosulfur	0.13333334	1.2	0.0
8	C11 H18 O7	263.11252	263.1129	0.04940309	263.11255	2702	1842	2941	2972	5019	3564	1733	3059	4957	1125	4789	1775	4217	2939	2023	1317	1295	4114	3305	2008	0	0	1088	1662	1329	0	1295	10770	4277	3853	3242	3464	3815	3155	1170	3360	3351	972	1506	0	0	3937	791	365	620	0	0	436	3957	2638	1797	1482	3490	785	5794	1964	2869	1739	1731	0	0	0	4362	3234	3060	5084	4369	1040	0	0	0	3734	3949	3978	1372	3918	349	3206	1456	28450	1764	1114	698	0	2657	0	1402	3587	4785	1234	0	0	0	10008	0	496	1846	2999	2621	3956	3498	3364	1497	0	0	2120	4621	431	745	3727	Unclassified	0.6363636	1.6363636	0.0
16	C11 H18 O7	263.11252	263.11288	0.13893916	263.11258	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12676	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3735	0	0	0	0	0	0	0	353	386	405	0	0	582	0	0	0	0	1846	1517	0	0	0	0	0	0	0	0	2840	0	0	0	0	0	0	0	0	0	55764	48193	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	566	0	0	Unclassified	0.6363636	1.6363636	0.0
10	C11 H18 O7	263.11252	263.11295	0.1701854	263.11258	2137	0	2569	2635	23318	7003	0	2996	4261	0	2758	0	7592	25879	1313	1853	0	8220	8514	0	0	0	1415	0	1276	0	0	0	1696	2249	1259	1638	3750	1970	0	2254	1243	1957	0	0	0	8726	1016	500	613	0	0	524	1905	1103	2864	2152	15442	1052	4907	5578	2586	0	2378	0	0	0	2716	5137	3871	6881	7757	0	0	0	0	1493	2157	2278	0	1064	585	1927	1253	6771	1202	772	771	0	2780	3110	963	2974	4821	0	0	4765	0	2719	0	0	1758	3179	0	1347	2447	1789	0	0	0	1960	5985	671	0	4536	Unclassified	0.6363636	1.6363636	0.0
10	C12 H14 O3 N4	263.11386	263.1142	0.07255275	263.1139	6061	7675	6199	7876	5444	3648	12993	9499	3434	1108	0	4156	0	3175	3025	7084	29025	2602	2850	0	0	5000	3221	12735	6867	0	4960	0	8134	6857	9139	8453	15372	8003	2650	4526	10149	4606	31443	0	1374	6504	0	0	0	2593	0	0	13000	7331	6804	5794	8330	0	2334	2634	2999	18085	0	0	0	0	1333	1884	2261	3999	6948	26921	0	0	0	5498	1747	1908	4070	2677	0	2956	6070	0	5833	723	0	0	3998	5531	5795	10359	7155	29363	3145	2551	16015	0	0	0	4457	8337	2702	2362	4785	11993	5873	0	0	14398	3016	0	8502	1919	Peptide	0.25	1.1666666	0.33333334
2	C10 H18 O6 N2	263.12375	263.1243	0.24658367	263.12384	3961	2641	3701	4400	5222	0	1228	2715	3104	668	1117	2674	8473	3295	2711	1025	2762	6239	3593	714	839	2914	2211	3246	1396	0	0	0	5825	2706	3849	4143	6427	5491	5031	3190	5297	1182	1935	740	0	4061	834	0	0	1072	331	0	4128	2350	3114	3082	4381	0	4304	2406	1516	4881	849	547	1521	0	7044	3876	0	8024	3832	3222	0	363	0	6392	6452	3777	313	4137	0	2621	1816	0	5034	0	687	0	1843	1697	1829	6740	4050	39195	3913	2713	7215	717	0	0	3183	2765	1616	1922	4570	4969	2241	1369	406	5749	1951	0	1526	11648	Peptide	0.6	1.8	0.2
8	C10 H18 O6 N2	263.12375	263.12436	0.476305	263.1239	1181924	1287165	770284	572155	492376	314214	951818	1242672	545286	817736	340460	440172	529272	305568	1027516	1300833	1298180	480300	1304990	1231579	1074852	1371228	1050490	1387880	857928	1271700	1002672	350746	1105984	1109852	930028	1170700	1131500	786808	1147304	1046864	1083160	973268	1522890	481172	1034440	908661	106024	87070	125802	573424	545968	122934	1206820	541804	1035316	1193760	857145	89902	700917	580942	415016	1290808	438540	500716	618814	309524	533490	494290	303738	471986	687364	1373965	586332	641518	768224	827188	480314	461614	989663	1301330	89164	784086	1562820	350390	1283629	499585	609093	395350	612506	356410	1441357	661532	947262	1815651	417874	496256	1660412	370940	964804	121694	1166504	1260775	488048	920894	853218	1176096	993696	593644	296898	1065748	517292	87080	1081405	474674	Peptide	0.6	1.8	0.2
10	C10 H18 O6 N2	263.12375	263.1244	0.35711348	263.12387	0	0	0	0	0	0	0	0	0	0	1907	0	0	0	0	0	1403	0	0	0	0	0	0	0	0	0	0	47060	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10833	0	0	0	0	0	660	0	0	0	0	0	1592	0	0	0	0	0	0	0	0	818	1242	0	0	0	0	0	0	0	0	Peptide	0.6	1.8	0.2
0	C10 H18 O6 N2	263.12375	263.12427	0.076804176	263.12378	9808	10938	9990	8497	19649	167597	0	28593	7954	1853	0	3301	35725	28166	3098	0	1761	36354	30246	2375	5419	15164	9388	18523	10070	0	0	0	62020	6526	28682	19910	75759	28773	9243	15744	25265	3010	2363	2269	0	21811	0	0	0	5081	0	0	26201	7223	10266	11980	25764	1336	10213	2241	0	35319	1112	0	5706	0	44238	8874	3809	22807	50583	2849	0	3771	0	28549	29080	11618	0	18156	0	6495	2116	0	1852	553	0	0	1872	1388	3490	14386	29322	4508	98107	29181	14398	0	0	668	10010	11198	2101	1882	1850	14423	4278	2891	0	32999	2265	0	2383	61912	Peptide	0.6	1.8	0.2
14	C13 H19 O4 Na1	263.12537	263.1259	0.9215748	263.1256	0	0	0	0	0	2028	0	0	0	0	0	1125	0	10804	0	0	0	0	0	0	0	0	0	0	0	0	8576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	385	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3951	0	2287	0	0	0	0	0	0	0	36964	0	0	1170	0	0	0	1077	0	8404	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2121	0	0	0	Lipid	0.30769232	1.4615384	0.0
18	C12 H22 O4 S1	263.13116	263.13168	-0.33748436	263.13107	1788709	1781893	1658121	1576389	1854041	1404485	1416557	1721283	1397926	1967879	1349836	1080734	2333002	1554506	1382780	2009065	1707118	2316682	2593656	2425461	2150376	1625330	1426769	1749334	1146885	1220666	1372769	1315698	1798145	1503760	1504022	1753806	2169679	1731022	1926725	1683369	2108345	1221040	1824103	1521501	1396022	1544131	106357	51978	64892	1139218	1033747	71150	1887514	1342448	1717359	1667198	1657839	55820	2065373	1640406	1185549	2142148	1053758	1057723	1837169	1036160	1958983	1589715	975875	2122714	1601863	1926704	1019750	1429865	1466794	1314139	1221527	1393542	1609849	1659171	48678	1022313	1565523	1278761	1234594	959512	1169545	1072762	1789087	1364099	1726524	1565010	1672495	1946151	1943868	1961239	2178939	1138898	1765399	80206	1703124	1706444	1412130	1878001	2081547	2155456	1036270	1590726	693531	1525904	1354374	59586	1281894	1882017	Organosulfur	0.33333334	1.8333334	0.0
16	C12 H22 O4 S1	263.13116	263.1315	-0.08027211	263.13113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2876	2178	0	0	0	0	0	0	4326	1613	4605	0	0	0	1807	0	0	0	0	0	0	0	0	1215	0	0	0	0	0	0	0	1301	0	0	0	0	0	1726	0	0	0	0	0	1880	0	0	0	0	0	1152	0	4651	4543	0	0	0	0	0	0	0	0	0	0	0	0	0	2371	0	0	0	0	0	0	0	0	0	21399	5878	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1634	0	Organosulfur	0.33333334	1.8333334	0.0
20	C12 H22 O4 S1	263.13116	263.13147	-0.18662484	263.1311	1058656	1125987	1049331	895602	1525176	1158546	763931	1016566	1086682	1191742	698412	676493	1743065	1100110	936566	1155071	919032	1591426	1687911	1489014	1331626	1058951	861482	1046711	823984	592426	781801	736496	1113265	921449	838171	1072427	1374551	1055374	1289755	969093	1561244	741104	923408	915107	698295	1001021	104940	71250	62707	743032	620705	86546	1104531	759517	1054769	1065481	1140357	52012	1334612	1132570	744714	1311694	829775	618889	1114760	528275	1361477	1162341	615648	1503747	1044106	951462	486479	764800	713549	869464	931062	907143	947664	1029798	53966	722930	938222	726858	747261	503806	807888	640540	1113842	800630	1081447	991831	1035232	1097892	1331834	1287715	1375160	722334	887660	86668	1046497	1098981	988769	1322971	1480586	1408337	738019	1107655	541993	1003176	995620	73641	802420	1562213	Organosulfur	0.33333334	1.8333334	0.0
18	C14 H18 O3 N2	263.139	263.1393	0.05608622	263.13904	13368	18675	12851	13052	6240	4845	10604	13271	2300	4937	3988	12541	4670	6009	10687	20299	27555	7781	8974	5955	7559	15063	15313	27233	14968	5987	12047	18810	15550	11591	16946	22252	21178	19769	10175	15710	27795	13396	34088	8220	13108	12255	988	1012	1012	5632	5121	1617	23032	14722	12298	14600	8125	1335	2764	2116	7417	24752	6527	13509	21983	6308	0	3943	4401	6517	8024	27436	5385	4632	8291	15141	16853	10189	16767	16932	814	9615	17254	26166	12218	6520	12840	6727	2007	4755	19937	16750	12563	37449	62277	21590	28212	10199	9674	1421	12628	14747	5960	2254	2491	22008	12195	14983	4316	21329	2765	1225	16874	6817	Peptide	0.21428572	1.2857143	0.14285715
20	C14 H18 O3 N2	263.139	263.1393	0.078933455	263.13904	6342	9331	7359	4865	3066	4212	3899	11051	1722	3401	2475	5534	0	3900	4741	14414	5519	3923	3143	0	2283	10549	7894	14221	4751	1712	4399	8941	11303	8948	7822	12406	12359	8959	2815	8288	11994	3748	9793	2632	4187	6936	1588	1157	902	6039	3394	1343	10871	9361	8709	8458	5418	1140	0	0	2277	15539	3508	4957	12256	1444	0	3148	1864	4471	5166	10562	2305	1762	2750	8071	8059	4370	5387	8713	700	6847	6492	11748	4637	5115	3930	0	1684	1600	3333	6274	9006	15124	32090	8431	14755	4359	2389	1017	4292	4400	0	0	1438	15784	4983	6705	1434	12045	1265	1463	5785	2634	Peptide	0.21428572	1.2857143	0.14285715
8	C14 H18 O3 N2	263.139	263.13943	0.08043208	263.13904	404323	432486	382855	391659	75223	87531	154337	220908	59839	236073	513725	136595	56089	44191	132534	308703	293512	83771	135195	210621	221866	248283	145258	295892	154359	127998	182103	1533696	195067	184630	190277	248753	251435	219819	227348	184194	256180	140554	360167	204516	278593	112397	1833	1004	938	181275	181064	1015	264961	191569	293431	385232	93567	1075	73730	29764	64549	254454	82738	154938	240784	116770	57380	64160	65220	85720	107412	353059	96852	165838	190166	195092	199475	159744	190197	209596	863	129608	186314	3017537	151432	100069	126571	154831	43647	63316	202527	158448	137147	458103	10064582	2353738	403839	1181034	361521	1396	402030	345643	52467	40760	42734	250143	132259	194073	59871	247235	50369	1031	187561	74296	Peptide	0.21428572	1.2857143	0.14285715
6	C14 H18 O3 N2	263.139	263.13947	0.07054807	263.13904	528610	575441	484119	526574	150650	204512	424733	446840	111754	332411	338419	288768	112426	110477	314670	710487	656402	225042	297112	305493	295249	376296	272918	529406	330577	151252	416439	778370	527143	523830	545812	745985	826606	643296	371111	563107	890009	329235	851651	191247	272494	285978	2306	1109	746	254859	192867	1033	815862	382886	561296	520314	235427	1419	119793	48522	110193	754509	63111	156503	690664	129241	114458	94683	115643	191257	304616	947705	124894	275230	292139	494074	542532	456123	681152	567033	582	302355	300264	2427402	260455	100425	131437	182998	70467	125319	413073	318168	380311	801330	6389135	1428394	700301	557798	354538	2109	517152	425660	70078	65184	87130	794718	276254	237692	83569	648329	76738	883	348371	164184	Peptide	0.21428572	1.2857143	0.14285715
2	C14 H18 O3 N2	263.139	263.1395	0.0874657	263.13904	337684	330425	291604	309816	131309	196485	279908	458671	109928	314783	189186	246798	116558	86282	285292	466290	549051	230699	263441	346659	370887	332266	239312	419650	270632	137234	262741	171955	500219	381597	398741	490101	516641	409183	371750	461987	529055	238135	540648	283126	282118	248754	1868	1037	930	173677	184845	821	510209	328694	303176	322726	192467	1092	173991	54492	108312	447710	69792	147120	422269	138088	114897	146065	102175	158024	261259	647646	128426	220725	231030	286533	377922	359894	492212	398698	588	249954	282121	171769	232993	83872	119075	171948	78819	121233	294136	262996	281223	563566	270000	241199	588980	186629	272660	2711	332140	357467	87342	62243	71647	473849	233544	317904	97684	441957	78035	1192	283698	150190	Peptide	0.21428572	1.2857143	0.14285715
16	C14 H18 O3 N2	263.139	263.13934	0.017228875	263.13904	41552	45148	48283	42895	38623	28891	51736	52317	21231	23986	24797	40280	31340	17648	37009	71919	100259	31071	31959	32963	35376	59343	43619	69539	41301	13750	42475	28831	49558	57758	58142	62218	70630	81105	28834	55259	73043	30015	114100	33474	41533	29928	1428	1385	1192	28070	26708	1562	77280	49336	43558	52704	40944	1510	15077	15065	16324	78989	23927	39704	61880	21510	16919	17996	14951	34100	33116	107371	15442	22385	18297	68952	60089	58858	83941	58562	744	36466	51986	70076	42836	21189	31013	22895	17667	20747	53754	46803	38150	100825	148781	64167	97606	32638	44064	1462	43564	41682	17156	15835	27694	75659	34462	45522	8156	67159	22956	1820	53008	35356	Peptide	0.21428572	1.2857143	0.14285715
10	C14 H18 O3 N2	263.139	263.13937	0.014436547	263.139	187316	180393	167660	159284	62039	69231	153993	243305	44630	156732	103998	149330	42397	28577	130099	279759	234713	84905	99471	174683	178035	228372	144211	289740	161843	87423	182002	120282	191886	198877	186471	221275	244988	191574	185366	198799	241046	136904	290628	202041	291997	96820	2393	1368	1166	177757	197501	1095	236780	200956	181624	184928	79482	1774	54759	24689	44916	252342	115729	223905	247793	110392	37852	41011	41740	69359	78658	307561	77471	104136	127500	191871	167726	179189	223879	200132	788	131909	163608	311572	158078	125442	169732	123706	40823	50737	165069	110191	97262	354501	556647	298982	348612	167597	272493	1850	173198	187647	38185	31354	35720	231931	138357	231010	83192	222728	43552	1459	190789	65524	Peptide	0.21428572	1.2857143	0.14285715
4	C14 H18 O3 N2	263.139	263.1395	0.11282866	263.13904	573980	665407	588714	619167	325798	392686	425932	853099	204994	381819	267838	375854	231191	177092	487044	871937	761470	461151	581528	455383	451689	627795	396649	857313	604236	185327	435414	422783	1054136	580699	754890	934603	1109871	795935	532307	887811	1181764	393525	851281	305965	344787	465846	3143	1293	951	330127	248978	1482	1154029	669558	591080	509163	426138	2337	281115	87453	195944	863445	60602	154061	862722	183337	204222	252108	151543	352911	402657	824187	163117	333697	337707	597502	599759	537951	623676	525770	513	513059	523043	4239858	419205	116587	141098	224211	139948	209300	572891	496103	535412	960884	2130177	660300	1206801	515644	379841	4549	563559	632529	165316	110042	133176	973421	418787	358865	134580	862084	159091	1517	459308	332397	Peptide	0.21428572	1.2857143	0.14285715
14	C14 H18 O3 N2	263.139	263.13937	0.008540913	263.139	121459	108940	110252	120189	60883	46686	122907	134856	36204	68494	65465	97878	30215	26577	82064	158541	173326	66809	65494	80705	66485	142791	86235	152461	102965	32460	124989	79417	103060	112530	114030	152712	143064	167950	66975	117444	158970	80026	201660	76513	110324	63812	0	1411	797	66306	76463	1441	156911	114309	116395	102871	56753	1229	37367	24109	47638	184315	51779	106956	125596	48803	26542	38532	28903	53723	54608	209789	23406	45749	66948	144340	135128	97228	146098	114840	691	80271	114642	185279	93456	55935	85441	59096	27059	29198	122531	112151	94415	270182	300289	127036	232541	71816	88622	1907	121247	94433	27989	26852	28798	132134	83097	103547	22549	174577	28352	1361	130511	36873	Peptide	0.21428572	1.2857143	0.14285715
4	C17 H19 O1 Na1	263.14062	263.14102	0.3613974	263.14072	0	596	0	1341	0	3258	0	3732	0	0	0	545	0	0	2484	0	0	0	4006	0	0	0	0	0	0	0	0	0	4201	0	1096	0	6603	0	0	0	10948	0	0	0	0	0	0	0	0	0	0	0	15370	0	1615	0	0	0	0	0	0	5126	0	0	0	0	0	0	0	0	2736	0	0	0	0	8246	0	6010	0	0	0	424	0	38500	0	0	0	0	0	0	2836	0	1372	0	8348	5879	2127	0	0	0	1654	0	0	0	0	840	4104	0	0	0	0	0	0	830	Phytochemical	0.05882353	1.117647	0.0
2	C11 H22 O3 N2 S1	263.1424	263.14267	-0.096489765	263.14236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	140524	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	595	0	0	0	0	0	0	0	440	0	0	0	0	0	0	0	0	0	0	0	0	0	351632	0	0	0	0	0	0	374	556	0	0	5685	1156	938	20550	0	0	0	0	0	0	0	0	335	0	0	609	0	0	0	0	Peptide	0.27272728	2.0	0.18181819
6	C11 H22 O3 N2 S1	263.1424	263.14282	-0.4141691	263.14227	625	977	0	0	1539	883	460	0	0	0	0	0	0	2107	0	0	0	0	807	0	0	0	0	0	0	0	0	0	0	946	0	0	0	0	0	0	0	0	0	0	0	818	0	0	0	0	0	0	0	0	1135	0	0	0	0	714	1155	0	0	0	0	0	0	0	1001	784	1530	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	664	0	0	0	0	0	0	34737	1762	0	0	0	0	612	0	0	532	0	0	0	0	0	1180	0	0	0	Peptide	0.27272728	2.0	0.18181819
8	C11 H22 O3 N2 S1	263.1424	263.14276	-0.040193208	263.14236	16519	19471	9193	14572	0	672	0	0	0	2113	8610	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	65567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14743	14335	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	134115	0	0	0	0	0	0	0	0	0	0	1057167	448712	0	48687	4221	0	13532	11228	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	2.0	0.18181819
4	C11 H22 O3 N2 S1	263.1424	263.14264	-0.39779997	263.14227	2440	2329	1525	2346	0	9265	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	316	0	0	18470	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2092	1973	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	881	0	0	0	0	0	0	0	140875	0	0	0	0	0	0	0	0	0	0	437592	239097	869	5466	0	0	2434	1250	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	2.0	0.18181819
6	C13 H18 O2 N4	263.15024	263.15063	0.062795244	263.15027	1641	1985	1868	1484	0	0	0	2401	0	0	1348	1140	0	0	1651	2520	1957	0	0	0	0	1801	20512	56023	4016	0	1114	0	0	976	727	1532	1012	1022	1039	930	1336	1179	1965	0	1692	988	0	0	0	0	0	0	0	1162	2982	2057	992	0	0	0	0	2162	0	0	2499	0	0	0	0	0	0	3068	0	0	0	861	1550	0	1359	0	0	999	1412	0	20033	0	0	0	0	0	1121	0	951	5553	5167	0	5574	1246	0	0	2254	2259	450	0	0	2208	1127	0	0	41306	0	0	2742	0	Peptide	0.15384616	1.3846154	0.30769232
2	C11 H22 O5 N2	263.16016	263.1606	0.053926047	263.16016	2791	2134	2398	2649	1788	0	1083	5021	2085	383	0	949	4719	826	1944	1447	2348	5406	1745	0	476	2844	1484	5427	1800	0	0	0	2787	6489	3535	2317	1833	1465	733	1536	2490	1249	2008	458	0	0	2565	0	0	831	259	0	9077	9216	2965	2435	1287	0	3176	2079	1135	4596	300	422	2518	0	2594	1478	0	5660	2658	3324	0	0	0	3689	2607	1439	596	2039	737	1328	1282	0	767	0	0	0	1908	1434	1175	1935	1480	88141	0	2832	5141	0	0	0	2145	1264	2105	1860	2528	1830	850	961	576	2654	3179	0	532	6000	Peptide	0.45454547	2.0	0.18181819
18	C11 H22 O5 N2	263.16016	263.1602	0.30405274	263.16022	0	0	0	0	0	0	0	0	0	0	0	0	0	3078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4575	2073	0	0	0	0	0	0	0	20560	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2148	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	2.0	0.18181819
16	C16 H22 O3	263.16418	263.16452	0.053302553	263.16418	467889	506096	467111	479286	475811	297440	704276	429819	323344	420172	351480	304553	345881	476631	357929	616705	871300	421927	517229	605806	588971	508352	330133	435833	378231	864162	647745	354170	407615	419691	386069	502207	543565	331578	444887	476191	457832	328724	844667	380359	500461	359232	31761	14280	15091	267109	366482	18322	514051	389159	502572	503510	397953	15361	341986	365148	310979	646362	249104	444875	516146	241630	367780	278461	288073	406978	425597	745385	572770	722330	867358	305999	341144	432846	670315	439887	11634	253262	488089	415833	308829	297241	801530	732827	450735	334787	654931	343430	394809	1213097	568288	570958	734499	364206	487925	20094	471843	510019	327879	483077	589803	606116	256074	385259	169666	494041	412970	12592	461905	318480	Lipid	0.1875	1.375	0.0
14	C16 H22 O3	263.16418	263.16452	0.050269283	263.16418	248242	240276	222540	250266	171330	128693	303428	208387	144807	170585	155036	165129	137269	169369	160638	288016	371921	177146	176997	224347	227078	247874	157339	213098	187669	326212	302322	182380	201283	218347	197745	268939	244316	172410	183252	219678	209785	164302	399114	168665	208214	160889	22584	11362	9560	142852	191784	14219	248013	189328	234507	218875	163467	10392	158212	151922	138656	346846	137287	215226	248296	105092	162606	138105	135863	168035	179037	390740	217149	269113	334936	147643	170798	212364	300410	234893	8447	141973	228615	170650	176147	131699	312448	272414	216818	149042	302695	130832	182957	659621	279880	255989	340235	143892	211454	15788	227479	215448	145667	239119	246114	245141	161594	196166	97737	252124	175355	10708	233337	116811	Lipid	0.1875	1.375	0.0
22	C16 H22 O3	263.16418	263.1645	0.096196964	263.16418	1268947	1270199	1010947	1222240	1240869	1056137	1171904	1104308	868480	2105299	1620747	696890	956873	1118201	896689	1417593	1407289	1515543	1166439	2621870	2577051	1579881	786017	1024753	1034331	760405	1135723	1624168	1282366	1028675	994557	1241997	1403426	1241236	1855405	1284004	1473675	779373	1393289	878227	875373	867793	93954	58436	34717	930958	1014296	57712	1225209	900523	1202173	1153422	1085506	44783	1025520	817055	714911	1627023	894658	876706	1380033	636043	1008802	831860	659464	1224897	1177729	1407750	568983	854803	848376	882299	884512	977780	1027392	1117311	33539	677200	948468	1139733	632223	803735	1132195	851666	930004	862134	1316980	1029266	998954	1840106	2242113	2134117	1758490	1242693	1769392	68332	1072934	1263267	859182	977517	949462	1591910	698886	1215747	850795	1315027	912196	56573	958802	1134507	Lipid	0.1875	1.375	0.0
12	C16 H22 O3	263.16418	263.16455	0.063621715	263.16418	118940	131449	111515	130883	63824	48085	121366	99389	49323	68901	65260	64673	44323	49838	68703	177283	145469	54959	81495	87382	73512	143708	69565	115155	78879	79653	160164	38711	95446	110932	77737	124250	89575	70267	66576	100309	96931	71068	174110	56659	80992	63005	12257	10931	10372	72165	89536	13388	128813	115456	112350	133656	53923	9631	64993	54170	62993	146719	52105	77097	144941	39903	58543	49484	47803	52066	61990	148828	50481	79509	94887	62091	84126	113568	180931	128677	6854	58863	91373	55799	82425	63132	103723	71270	69946	54776	119384	51782	64711	246155	126180	129914	163229	52877	125204	11671	118477	108009	63650	81940	91751	140818	67750	116369	39063	100121	65371	9733	84980	51556	Lipid	0.1875	1.375	0.0
10	C16 H22 O3	263.16418	263.16455	0.06297348	263.16418	42160	35068	29953	36653	23836	25359	40528	42519	26758	20479	15987	30328	22164	25143	34071	50410	53424	23746	26833	34703	21341	47453	29011	46899	40359	32055	45980	24937	37418	42287	37846	38407	42843	27872	24217	39224	41162	31372	51193	25390	27898	25240	13316	10170	11262	28554	25817	15121	34224	36253	34096	42458	26428	11061	31104	30610	26596	51702	24033	35099	57480	13665	23485	21039	18826	20863	21711	58188	27641	31475	35206	24073	28343	38485	50119	46209	9655	24526	42785	25172	37460	32530	39318	24310	34709	23707	49616	19920	23765	83655	33539	43892	59548	28671	36993	11917	33538	38513	28014	37546	43534	37435	38607	31323	13992	37651	27842	9888	40822	20078	Lipid	0.1875	1.375	0.0
20	C16 H22 O3	263.16418	263.1645	0.08648443	263.16418	1191452	1280166	1240660	1095475	1108056	903112	1283101	1100483	800980	1578200	1145009	709551	992888	1094530	901029	1426056	1459362	1147685	1359863	2010684	2005891	1484187	717390	1019691	912276	1851875	1419006	1175032	1176366	1042707	835169	1173713	1371989	1105892	1484271	1173181	1400998	783964	1385201	1053560	1194550	932223	70157	27249	20921	807067	986310	33107	1186056	862878	1189081	1199204	971073	30206	914465	847391	662302	1489694	741318	914834	1236741	687355	949172	789067	696623	1124413	1076529	1425078	1203398	1451447	1855701	814286	964314	1072828	1522260	1116848	19156	650200	991588	1185383	629479	576336	1357753	1275998	929269	794101	1322936	950549	974334	1928526	2193007	1955635	1689468	1011886	1421944	35837	1188858	1260560	821505	947919	1120125	1607248	707709	1255622	676024	1151845	866381	28134	903604	983829	Lipid	0.1875	1.375	0.0
18	C16 H22 O3	263.16418	263.1645	0.064419396	263.16418	979938	984233	906793	820444	808683	662676	1139653	893561	450113	992646	848846	540990	689246	870132	635969	1199365	1297888	856724	1039766	1329610	1351117	893263	608039	855440	680213	1661174	1149697	861955	894135	828912	782766	919736	1065135	872450	851568	915063	965956	607795	1379984	785778	1048247	712267	57264	15468	16597	575092	604596	18279	953465	733612	944044	913722	705278	20765	664106	624484	527360	1246258	484152	728028	1002523	548641	729371	537394	551034	818982	823431	1457975	1137662	1306988	1754007	596738	610131	828275	1219769	865402	11805	455320	854138	885226	563521	522206	1063401	1128651	722221	677164	1053043	753764	771245	1581364	1308834	1222848	1317388	635930	982473	24597	891097	922373	602810	696494	860332	1142138	472931	825760	355630	821438	569388	15329	763368	620952	Lipid	0.1875	1.375	0.0
2	C15 H22 O2 N2	263.1754	263.17587	0.037484802	263.1754	22854	23643	20142	20752	3141	0	16498	33720	1884	25423	14018	14826	1544	1899	17791	41048	34330	6363	8387	29109	31407	23152	15043	41512	22232	14100	21982	11667	28048	31063	25383	34213	27174	24903	29546	34550	27946	15945	34320	30352	29616	7650	0	0	0	14637	17544	0	35946	30529	20958	21022	6304	0	3195	726	4104	35007	706	3045	31402	14905	1794	2735	3064	4305	9918	39996	10731	18920	23208	28191	30392	36452	47148	27424	0	17350	19309	13912	16365	3864	6478	22674	1672	4338	19636	9550	8817	60654	28918	13281	53388	17371	35521	0	22199	20684	2515	1044	832	29127	13220	35939	7129	27273	1170	0	21282	2238	Peptide	0.13333334	1.4666667	0.13333334
4	C15 H22 O2 N2	263.1754	263.17587	0.05183711	263.1754	19613	20652	17882	19941	4645	7808	16913	24781	3918	20933	12910	12819	2762	3222	14215	32794	33321	7695	11723	22326	24022	23337	12937	29419	21774	7530	18301	12363	20831	14771	16133	23553	24397	20160	32093	22660	24808	14646	40176	19833	14719	8951	0	0	0	11130	12776	0	27786	22456	20203	16139	7211	0	4909	992	4902	29792	0	1470	25695	11096	2039	3883	3833	6099	8227	48422	4466	10965	10894	17678	16999	19993	40436	18811	0	11172	21781	15542	19030	1959	3201	17942	1948	4348	22115	11588	10653	73303	26184	7480	59423	17265	29220	0	17588	19364	2471	537	988	22645	12093	19876	5253	26480	2289	0	22072	3826	Peptide	0.13333334	1.4666667	0.13333334
10	C15 H22 O2 N2	263.1754	263.17578	0.12197444	263.17545	13454	14316	11359	12903	4434	2596	9384	10639	1972	14379	9042	5224	1674	5890	5109	22004	11854	4608	8244	17300	18016	14222	7690	19059	10231	10274	16099	15823	10861	11853	8992	20876	34684	9681	18411	8213	29574	6633	15722	27881	8095	5422	0	0	0	15423	22057	0	18019	8222	10188	11684	7418	0	1859	0	1933	30403	0	0	23880	9504	2052	1581	2982	2621	7336	19445	10848	13360	15215	9692	15710	7979	12614	15188	0	5723	12438	8619	13680	1824	1059	18220	907	2168	10805	11130	10270	37611	25428	3365	30997	11273	27218	0	15601	10821	1568	707	1529	31148	6112	14237	0	21725	777	0	12394	1342	Peptide	0.13333334	1.4666667	0.13333334
16	C15 H22 O2 N2	263.1754	263.17572	0.13910183	263.17545	2459	4985	3661	4908	3101	0	1615	1960	0	5543	5377	2938	0	1613	1934	4718	7029	0	2475	10845	10045	8618	1975	5062	3747	5843	3272	6946	2243	3149	2132	4232	4265	4129	4995	2859	3607	2635	8295	6942	11929	0	0	0	0	11373	20913	0	5831	2576	6238	5110	2145	0	0	0	0	5076	0	4200	0	3115	0	0	0	2846	1839	9802	5929	5477	10736	3150	3999	3958	5199	3589	0	1948	2644	7646	2085	6088	3050	4017	0	0	3124	3987	2342	0	10991	5792	0	7316	7419	0	3005	3468	0	0	0	6170	1480	6482	5706	0	1566	0	3541	0	Peptide	0.13333334	1.4666667	0.13333334
8	C15 H22 O2 N2	263.1754	263.1758	0.10548745	263.17545	24378	25194	25532	29263	11556	14581	30186	37174	7258	28310	18624	17684	5403	11557	24661	41999	20554	14386	22696	44036	34497	21756	15536	40890	34833	14961	32869	25718	53052	38538	41314	56389	69678	47088	40587	48777	81913	18729	24201	25250	10428	13515	0	0	0	15626	11852	0	56390	30572	23864	28060	13822	0	7922	2775	5922	40058	0	0	34481	8852	3594	6029	7340	8490	16172	28990	9695	26359	20915	33409	34742	32750	23726	38365	0	22009	19906	15922	15640	1564	1380	19203	3027	8416	16430	22208	21813	45750	21675	0	65285	17429	27828	0	23704	24742	4860	1025	2326	62509	20048	13246	0	47443	5072	0	22555	5767	Peptide	0.13333334	1.4666667	0.13333334
6	C15 H22 O2 N2	263.1754	263.1758	0.062859125	263.1754	12682	18295	14396	14493	4770	7357	8975	21264	2911	24688	12241	9336	2019	5623	14538	23626	18415	7476	12350	30917	29994	17037	11000	22726	21615	12566	11995	15883	19334	18100	14118	19132	21450	20279	26980	17627	26002	10320	20125	15259	7442	8789	0	0	0	9732	11784	0	24374	13285	17827	17301	9165	0	3189	1502	5410	23204	0	1907	23093	7294	3254	3414	4091	6891	11055	25284	7886	20134	18231	16485	13940	15692	18793	15190	0	8810	11796	15419	10575	1572	1529	14571	1984	4242	15728	11193	10762	42910	27524	6375	45642	13408	24331	0	18331	14500	3226	1373	933	24845	8115	16335	0	22670	2384	0	12707	5097	Peptide	0.13333334	1.4666667	0.13333334
26	C20 H22	263.1794	263.17963	0.16713062	263.17947	2456	0	2124	2801	2274	0	0	0	0	0	0	0	0	0	10154	0	5876	0	0	0	0	0	0	0	7110	0	2433	1912	0	0	4644	3923	5690	0	0	0	2154	12076	4472	0	0	21350	0	0	0	0	0	0	2178	0	2536	2914	0	0	0	0	0	3077	0	0	0	0	0	0	0	0	0	7179	0	0	1886	0	0	0	6877	3234	0	0	3839	0	2667	0	0	0	0	0	5389	0	0	11233	1586	0	4396	0	0	0	2614	0	0	0	0	9831	0	0	0	3515	0	0	4869	0	Phytochemical	0.0	1.1	0.0
22	C17 H26 O2	263.20056	263.20087	0.07963354	263.2006	184713	194020	169425	179688	106756	100732	723926	290475	70998	163453	178159	112414	71911	239749	130145	214773	324470	86474	106765	153226	173577	150786	93765	100537	144918	330992	724123	210608	196231	274123	146852	192555	171868	164438	126960	208457	163727	119480	319304	105443	173507	132143	21723	3867	4230	104527	156791	8313	201289	508502	186820	181813	111810	9640	72913	96972	116811	222177	79844	169476	221088	88208	126292	64557	197381	157348	217271	328488	157817	181201	241510	319464	154965	314054	264347	224143	9034	90253	324670	322246	101420	141244	364773	454576	101052	111612	286313	119447	144340	715835	270108	218406	297145	127340	143893	7618	154464	187388	110329	109191	109696	217330	111782	145526	104233	139126	99042	6249	150574	83285	Lipid	0.11764706	1.5294118	0.0
18	C17 H26 O2	263.20056	263.2009	0.07678478	263.20056	11724	11550	10901	11125	5767	7287	58373	9945	3676	4001	6376	8742	4819	15886	9178	17888	34766	3445	9290	5485	5572	5685	5397	9630	11913	20054	57661	8828	16272	16220	7875	19785	12629	10255	0	17433	10712	8644	33214	3153	6427	10874	2232	811	530	1720	7609	1280	12832	11486	10839	11387	7551	1425	3309	6594	10274	21015	2961	10029	11370	6860	4822	3278	13724	8216	16595	35891	2138	2428	8246	8750	11526	18657	33699	12106	691	7674	13461	24485	8421	7427	47681	44285	7134	8939	17467	8816	11137	39582	27839	13341	12418	5235	6057	988	11749	15307	5761	12373	15002	18491	7436	9962	3511	10033	6579	1041	15297	2342	Lipid	0.11764706	1.5294118	0.0
24	C17 H26 O2	263.20056	263.20084	0.08305378	263.2006	292947	305183	277307	290014	242662	173447	1044128	265660	146267	271261	333542	150537	185559	489720	208429	338498	419809	193943	281605	332160	301182	193645	144958	185463	236643	635511	1017235	475108	268022	271411	173990	303236	304521	247916	269461	311067	271446	197521	423824	228372	309190	219780	53726	13155	20218	202861	298775	16924	284600	409917	281236	284179	209038	32261	180097	184163	174614	367540	171590	287744	331486	167236	248605	128757	310998	334696	452724	373640	312738	367787	456457	250864	211718	303340	318833	269895	40857	144164	243614	544264	146940	306350	470271	588947	200403	185456	444020	181515	263901	577571	680903	504668	270553	238602	285481	23503	281385	320172	201446	180685	230090	341508	126940	323561	264245	225042	183063	17794	267494	169467	Lipid	0.11764706	1.5294118	0.0
20	C17 H26 O2	263.20056	263.20087	0.09961978	263.2006	50901	59248	47684	58665	34505	24463	356784	51025	18062	28558	37258	30727	23779	106559	40038	69259	108441	30604	42620	40666	32089	29702	24177	28782	37667	112577	377059	54280	42197	58408	32835	54762	47547	44801	24719	61486	48384	33317	108805	23850	55559	46392	12598	1722	1701	27847	42903	3554	55189	46770	59346	56628	30318	2748	22077	38764	43823	68170	23733	63142	63963	23025	46042	19029	79144	43359	67508	100559	31535	38967	57551	38512	40691	60909	112124	61178	2393	24830	52851	105493	28293	33667	235456	345338	34793	38143	77555	43424	47503	131328	91813	60162	50808	31357	31072	3129	54636	55958	40255	36870	47889	63363	27343	45989	26611	44039	31247	2452	46446	18187	Lipid	0.11764706	1.5294118	0.0
24	C18 H30 O1	263.23694	263.23724	0.12932818	263.23697	19616	21793	15902	18298	8210	20559	313406	14826	3345	20088	20156	6737	10361	202867	7798	9335	17750	3676	6283	6554	6378	4938	4763	5750	4922	33820	329535	35926	5220	11203	6001	10708	14456	5833	4266	10595	8558	7387	20645	4613	21828	16213	12389	5845	6006	10960	21573	3668	14137	60482	20288	20272	3397	13787	2718	18121	17183	9233	3620	57527	21926	9928	48416	928	137312	11823	21858	25481	9382	9735	12942	11628	5323	12232	8656	30521	5148	3993	4695	42579	4345	19057	54220	92393	3770	0	12399	13219	9974	33704	29170	17506	19709	7904	22354	6459	20216	18336	25324	1662	2061	10146	4538	16573	9668	5368	4539	3906	7620	29044	Lipid	0.055555556	1.6666666	0.0
22	C18 H30 O1	263.23694	263.23727	0.15656756	263.23697	1363	2136	0	1576	0	0	38570	0	0	2276	0	0	0	8627	0	0	3759	0	0	0	0	0	0	0	0	3131	36867	0	0	0	0	0	0	0	0	1512	0	1311	2642	0	2206	1104	0	0	1083	0	1134	0	0	2139	1452	0	0	1600	0	0	0	0	0	2603	1617	0	1591	0	9881	0	1611	4250	0	0	0	0	0	1279	0	1681	1199	0	0	2741	0	0	9704	16940	0	0	2082	0	0	4290	2222	0	0	1296	1822	0	0	0	0	0	0	0	0	1679	1517	0	0	0	0	1509	Lipid	0.055555556	1.6666666	0.0
26	C18 H30 O1	263.23694	263.23727	0.1393203	263.23697	58932	51509	58737	50473	19941	28856	409076	30857	20656	19240	94442	33439	15245	232445	36731	37010	65204	12010	20185	20555	13670	18468	19736	15665	20195	67048	479315	224853	24663	43676	20589	24241	25254	21153	15145	35798	17730	36951	55681	18574	59646	45001	39689	35450	30135	28252	50019	17408	28932	68069	65310	49000	21626	26928	20652	62696	136625	24850	26496	145401	45960	38930	53143	15779	336603	21243	62297	70079	70141	23636	31348	19006	18155	30800	22471	46995	45755	25712	27793	179499	20824	59950	65834	102928	138076	154368	45847	58137	32572	86517	95406	88108	34088	56427	40829	24773	61223	68918	79997	135021	637303	29410	27198	39725	51404	15587	218142	22835	34996	26324	Lipid	0.055555556	1.6666666	0.0
28	C18 H30 O1	263.23694	263.23727	0.118186064	263.23697	84250	59937	75130	70985	48660	55506	72667	59016	64511	49850	77974	57848	41508	67097	62630	50195	55373	43568	40720	40190	41953	45080	62744	42123	52311	68544	77460	116423	53020	57325	53739	55056	44955	55242	44704	56229	40119	90361	53351	46898	50686	60155	71836	77206	81814	51679	56179	69593	56727	69634	78269	75689	52934	92943	52555	122778	216111	45945	69600	83608	49221	68180	41294	53743	208220	49312	75335	51624	67014	46007	46638	57352	55927	56533	57103	57649	87653	63018	42676	97521	54198	62190	56866	68275	214397	225143	54489	58633	60374	47909	86957	102155	43338	65293	58185	80872	82857	81026	121493	169516	726292	45608	66108	62425	68655	50054	385913	77285	54957	44929	Lipid	0.055555556	1.6666666	0.0
8	C12 H9 O4 N1 S1	264.0325	264.03293	0.22174539	264.03256	2798	2126	2174	2085	7768	1840	879	1823	5318	0	0	1441	7915	0	1420	3688	2004	3498	6172	1255	1135	8402	3195	2972	1908	0	1121	0	1232	828	1196	0	2885	836	1428	0	2272	2101	2557	1236	2055	1787	0	0	0	0	2542	0	1910	1062	3089	1976	4599	0	7038	4848	2232	3272	892	2175	4147	0	2277	4751	0	5667	2454	3066	0	0	0	0	795	0	1467	1052	0	756	3755	0	1495	1478	714	0	4895	0	4939	3863	3546	25729	0	6838	23975	0	1162	0	2075	2270	3365	5621	2581	3614	1302	0	0	7330	4120	0	3664	6488	Organosulfur	0.33333334	0.75	0.083333336
6	C14 H5 O3 N3	264.04037	264.0403	-0.43537232	264.04025	0	0	0	0	0	0	0	0	0	0	0	0	0	510	0	0	0	0	0	0	0	0	0	0	0	0	0	56552	0	0	595	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	403	0	0	0	0	0	0	0	0	0	0	0	0	0	0	99583	550	0	0	0	0	0	0	0	0	0	0	997	0	7654	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.21428572	0.35714287	0.21428572
12	C12 H9 O6 N1	264.05026	264.05066	0.18094441	264.05032	12071	8545	8337	11186	21252	11936	5708	3772	16956	4391	3299	5631	21813	10795	8411	10172	7566	24380	23219	3118	2756	12641	9669	10590	3374	0	7280	0	6219	3612	3975	5412	12603	4789	4948	3269	8436	9970	8948	3193	4593	12428	395	0	448	3997	0	732	2446	2134	10164	7750	12823	354	17832	9001	7775	8819	0	0	0	1748	37681	22109	8182	22252	11801	12928	0	1501	0	2717	3521	2446	8142	3833	350	6024	13249	0	7565	1566	2680	1558	16569	10772	13106	13266	13866	15449	6069	8355	12339	3630	2791	408	8587	9237	10220	14308	13421	11549	6359	3518	0	9885	12044	421	4661	40912	Phytochemical	0.5	0.75	0.083333336
14	C12 H9 O6 N1	264.05026	264.05063	0.17381915	264.05032	8966	4997	7106	7829	15908	13426	5856	4134	11363	2233	3782	5934	18704	9680	5007	9439	6819	24204	20955	2220	2210	7896	5899	7938	4590	0	5357	0	5608	2080	7345	0	14403	5816	4207	3557	9048	5641	8304	2744	0	11037	0	465	596	1784	0	877	3770	2489	8281	9271	13641	468	17733	8570	7430	7493	0	0	0	0	27788	18830	6517	28024	9846	7676	0	2299	2180	2020	2633	1385	4982	4126	516	7249	10745	0	8117	2345	1326	1093	17275	9191	13797	14870	14546	17730	4802	5334	14895	5155	4524	508	10717	4203	9305	17539	14407	8558	6032	2788	0	10299	5998	383	6511	31791	Phytochemical	0.5	0.75	0.083333336
10	C12 H9 O6 N1	264.05026	264.05072	0.23166916	264.05032	10762	7196	7944	7413	21446	11602	4728	4743	20893	2616	3177	7546	30292	10475	6899	8762	9940	24174	27085	3450	4276	9632	10922	7844	3327	0	5292	0	4383	3190	5999	4993	12017	4466	6522	4475	9646	6826	14478	1869	3507	11296	0	0	618	2079	3145	0	6271	2825	10864	8097	14056	662	23364	14140	8749	7890	3177	3319	10555	0	31488	23023	10568	25842	13422	9150	0	0	1794	1929	2487	2047	6992	2655	0	7140	9140	0	8007	2363	1478	0	20484	8745	10178	13426	14706	15773	0	4273	15968	2654	3263	423	10828	14425	10573	17686	15005	11423	5320	2641	0	12493	12754	0	4729	34399	Phytochemical	0.5	0.75	0.083333336
8	C12 H9 O6 N1	264.05026	264.05072	0.24258965	264.05032	4780	6539	3423	4066	12795	6316	2512	1799	13949	1484	3476	3749	21144	4406	2978	4803	4278	14253	16428	852	1824	5720	6314	2543	1274	0	1212	0	1557	821	1692	3639	5339	927	2481	1558	6881	3936	5258	1500	1126	6113	470	0	413	1613	2464	349	1904	1675	4524	4192	10319	0	16088	9856	7536	2737	1943	2046	4095	0	22057	14707	6517	14821	6807	5818	0	0	0	1021	1423	906	3552	1127	0	2431	4670	0	2945	1833	1012	0	11586	4769	4800	10412	9775	8712	0	0	7260	1408	1364	378	4666	3957	8518	12252	11196	6582	4956	0	0	6729	7970	0	2329	26431	Phytochemical	0.5	0.75	0.083333336
16	C12 H9 O6 N1	264.05026	264.0506	0.10216766	264.0503	3200	4366	5803	7020	14876	7409	2839	3746	6728	4338	0	4468	18192	9534	2550	3139	7088	12696	18315	0	0	8973	7691	5677	3546	0	1083	0	2477	2893	3610	0	4529	2127	2083	0	6985	3201	4399	1570	2359	5607	258	527	996	1289	3175	1099	4752	2228	4388	4185	12586	638	5426	3429	5208	6755	0	2127	0	0	20210	14282	4598	23219	7641	5250	0	0	0	3664	1193	0	3121	2155	540	4464	10531	0	6324	1339	0	0	10133	3033	11873	7161	8693	0	0	0	0	4453	2280	1056	9127	3577	3863	10844	7726	6961	2852	1980	0	0	4616	795	4587	25209	Phytochemical	0.5	0.75	0.083333336
4	C17 H13 N1 S1	264.08414	264.085	0.6905038	264.08432	0	0	0	0	0	0	369	0	0	0	0	0	0	0	246	546	0	0	0	0	0	0	0	0	0	0	0	0	0	350	0	0	0	0	0	503	0	0	0	0	546	407	0	0	0	0	0	0	0	0	0	0	457	0	512	0	0	0	735	0	0	0	0	510	0	0	689	0	0	0	0	0	0	0	25215	0	0	0	0	0	0	0	247	0	0	269	0	0	470	457	0	0	0	0	0	0	0	0	0	406	336	0	0	0	0	0	954	0	0	0	Organosulfur	0.0	0.7647059	0.05882353
18	C13 H13 O5 N1	264.08664	264.08698	0.15177229	264.0867	25194	31321	26603	27971	33825	25123	25434	33825	24940	27837	27654	22129	30419	19175	25724	39363	36635	42434	44399	10950	21403	44825	25704	32279	23841	3726	25541	23323	25797	24585	22463	25743	45534	28421	34098	23363	47278	22491	38165	25434	49226	32416	4569	2428	4136	12258	18335	4464	32470	23836	28782	30724	31130	3194	28735	16253	22455	43858	16178	24101	36719	20194	36208	28215	20497	38253	35229	42561	14602	8350	18687	26454	19716	15162	23993	23983	3198	18976	36024	48331	25259	16775	20672	16178	23055	19770	34337	37659	30909	72727	34709	30376	68858	31479	39184	4789	26837	24079	19203	21319	18091	41090	19578	26823	7496	37803	16322	3696	28774	38599	Phytochemical	0.3846154	1.0	0.07692308
20	C13 H13 O5 N1	264.08664	264.08698	0.1514153	264.0867	12347	11131	9197	11712	10510	8304	7501	9530	12737	6991	6641	5827	16823	8949	9245	11341	12168	17943	18653	4588	4869	17781	11060	15497	6984	0	6073	5808	8518	8659	8434	7364	15166	8573	8857	7918	11246	7623	16260	9072	12925	12185	3764	3514	3766	6604	5455	4840	10818	7625	8897	11371	10326	3883	11898	8564	7488	12237	5247	8639	13503	6080	11542	9299	7515	12844	8565	12668	3986	4309	4604	10519	7382	8959	7563	9441	3993	8228	9775	15292	12523	6333	6822	0	12450	6934	15138	13189	11166	25302	8739	9777	22327	9566	9436	4496	8334	9261	7493	10145	7948	16553	9299	10708	4754	12052	3999	4223	12543	15177	Phytochemical	0.3846154	1.0	0.07692308
10	C10 H17 O5 N1 S1	264.09003	264.09042	0.057792384	264.09003	192525	182886	165992	165827	182271	118992	104849	145944	189308	206850	144626	112265	231365	85423	109385	205027	171647	275070	256382	160879	230432	297098	129769	190927	94429	113250	125326	105469	131526	110246	121931	133110	225270	136002	235906	112063	207524	112914	212662	206694	350897	134487	5870	3113	4274	124681	166398	3898	162008	121376	181014	186842	167990	3695	240023	141228	87610	211050	108137	158826	198245	132898	211976	196576	76704	221680	132164	215831	178979	173106	255189	119234	115713	94867	178984	127419	3194	93009	155871	159850	132025	108023	100322	93098	156820	108397	179853	163878	160520	298996	150689	166410	297467	217471	290470	5674	182623	167807	122562	155299	146440	183071	103728	159579	82517	195805	138090	2956	113378	289834	Organosulfur	0.5	1.7	0.1
6	C10 H17 O7 N1	264.1078	264.10825	0.1652481	264.10782	6465	9042	7027	8765	16105	10006	3938	9472	13997	2133	1884	6764	36963	7545	5864	7880	10597	25776	22178	4056	3437	3352	7088	6424	2151	0	4709	0	8933	8637	6127	9061	11433	8601	2849	8619	9129	4556	9317	0	723	12771	1254	0	410	4423	2605	0	7404	7451	9430	7718	12497	1056	20318	15848	6070	8094	2060	2881	8279	0	25044	12577	6994	22026	11669	8261	0	0	0	8360	10783	9574	3813	5950	212	5167	3573	0	2819	1648	2380	0	18318	9856	4004	9169	12478	5450	5374	9153	7927	2272	0	440	7259	10669	8851	14161	21468	10637	4683	3681	0	7623	16545	0	2284	28769	A-Sugar	0.7	1.7	0.1
10	C10 H17 O7 N1	264.1078	264.10815	0.13279013	264.10782	8175	6273	5379	7102	21318	10810	3320	6567	18311	2072	9050	6928	34233	11067	7482	7758	10043	36760	25933	2257	1927	2348	8909	4523	2737	0	4373	2980	9605	8341	4626	6784	11636	5403	3302	9948	10616	5461	10127	0	0	16523	1088	0	710	0	0	539	6184	7314	8578	7688	14381	716	20480	16320	6760	6835	0	2833	0	0	23420	20513	7573	24894	15046	11295	0	0	0	5161	7075	8372	6647	5142	0	5857	6929	8149	4725	1730	2224	0	24739	9700	7092	13705	15536	4184	0	2714	3924	4734	2646	787	7922	11857	12393	19195	25367	16171	4996	0	0	7632	23124	572	4480	34729	A-Sugar	0.7	1.7	0.1
8	C10 H17 O7 N1	264.1078	264.10822	0.14445662	264.10782	6779	8187	7892	9352	19875	12466	2168	7045	23579	2394	5164	5530	39529	12321	6783	10039	9920	31433	27593	4396	3096	1984	7874	6952	2522	541	4103	3264	9897	7836	5581	7095	8761	8250	3402	8498	10384	4316	8851	1604	1182	14977	1139	0	560	3343	0	514	7819	8624	6153	9807	15550	942	26478	17397	8913	6064	1621	2848	5088	1499	32650	18025	10708	22825	14018	8875	0	0	0	5233	5957	9155	6581	7631	375	5723	3437	6204	3118	934	2546	0	18800	8519	5892	11591	14466	2729	0	0	5221	2878	2313	429	7075	7150	15956	21937	24200	12960	5085	4997	0	6291	20590	483	2277	30512	A-Sugar	0.7	1.7	0.1
0	C11 H13 O3 N5	264.10913	264.10974	0.28945073	264.1092	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4788	0	0	0	0	0	0	0	0	0	0	1086	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	973	0	0	0	0	0	0	0	0	0	0	2212	0	0	0	0	0	0	0	0	0	0	0	0	41695	0	0	0	0	0	0	0	0	0	0	17286	6042	0	3935	0	0	0	0	0	1409	999	0	0	0	0	0	1074	0	0	0	Peptide	0.27272728	1.1818181	0.45454547
2	C11 H13 O3 N5	264.10913	264.10947	-0.43251637	264.109	0	0	0	0	2701	0	3005	0	2123	0	0	0	2173	1448	5918	810	0	0	0	1553	0	0	0	0	13972	0	0	0	0	2092	5608	0	0	0	0	0	0	4332	10008	771	909	0	0	0	0	0	729	0	0	0	0	0	0	0	1686	0	0	0	0	810	0	0	1600	0	0	4798	0	13851	0	0	763	0	0	1288	499	3146	0	0	4131	0	2681	0	0	0	2424	4536	5960	0	0	198911	14542	5993	0	987	0	0	15007	14328	2252	2782	2390	0	4874	956	0	0	1502	0	10187	2559	Peptide	0.27272728	1.1818181	0.45454547
20	C14 H17 O4 N1	264.12305	264.12335	0.14037246	264.12308	28938	28958	26076	20021	28254	24104	17184	32868	16692	21030	17758	20835	19747	16448	21833	31213	30560	30280	26917	21249	19863	31062	21479	33139	24230	9917	18405	18105	34653	29267	26445	31264	41941	32311	20696	25251	40041	19610	31604	23531	31914	28976	6557	5795	5538	17296	14269	6818	39421	25831	27459	22142	27788	5839	17464	12619	14074	49351	17260	22109	35022	17922	17609	18797	10951	30284	19754	33740	11867	13598	19678	25479	28799	23360	24395	25261	5369	16086	23546	33363	18528	13673	19720	17904	17315	14773	21864	25601	27582	40362	42711	31223	50673	24220	29581	6661	26829	28102	17864	12534	13689	45911	20691	27181	12867	32332	16194	7075	22114	26982	Phytochemical	0.2857143	1.2142857	0.071428575
0	C14 H17 O4 N1	264.12305	264.12354	-5.40675E-4	264.12305	31956	33458	27050	25984	26704	17230	22820	39183	35955	26241	23899	22632	32157	16567	24804	20278	49817	48467	38615	25616	52001	35304	29485	22483	13035	23921	17645	19733	35940	16787	28311	29806	52465	31116	43522	29745	46375	22937	61550	21847	32350	34642	3147	3559	4534	17088	16248	3299	38926	22350	29053	27648	37961	3306	48470	30941	21143	38142	17443	28475	28477	17729	34252	44272	29028	32427	34915	53111	22536	24563	27777	28058	38747	24638	21104	39114	4063	17328	25890	11973	19606	12831	19764	12170	26833	24247	25728	37017	36507	29451	15985	22532	45694	22812	20897	4249	25631	32541	19647	22467	27581	37688	16470	24381	15786	36013	31476	3234	20412	41128	Phytochemical	0.2857143	1.2142857	0.071428575
4	C15 H13 N5	264.12436	264.12506	0.85965896	264.1246	969174	1106328	979322	961789	723188	613377	676552	1133785	739740	1041554	649064	749092	921468	338776	612716	1322784	1549874	1144734	1191831	1164166	1455468	1107040	722713	1154216	522122	701450	669240	547236	992364	878284	869843	1047762	1468384	871322	1391708	1080466	1365734	592432	1750222	856846	1285883	830404	13800	9156	9882	713556	833480	10922	1210614	997726	1006848	781756	830525	9634	1124162	443506	447850	1279714	293558	688036	1234202	604518	852598	941334	302066	877278	735074	1624670	861652	938238	1313250	865542	931754	970978	1186309	936372	6586	691314	748796	445478	661558	414758	413182	530860	483516	458876	709264	847780	937150	2990912	553966	601518	1597680	1203176	797944	19694	905256	1073986	511120	484446	474816	1421502	720154	861038	435680	1183404	500972	9410	628248	1084716	Unclassified	0.0	0.8666667	0.33333334
6	C11 H21 O4 N1 S1	264.1264	264.1267	-0.12808323	264.12637	883878	993043	850123	968990	710111	524549	579383	954820	724493	1136294	638424	601394	775408	348465	654128	1129982	874142	1074279	1219563	1215570	1461966	1224058	686496	927016	484750	819118	605322	470389	844996	787294	860872	976044	1424728	900274	1395774	878408	1338176	611678	1143346	754860	1284692	624950	11786	6790	8434	713050	846024	7278	1085725	802101	965447	950188	719117	8120	1032620	381638	369221	1076527	327233	736186	1066381	584878	742493	641376	271404	816963	709885	1238663	863888	1176310	1570756	835228	853595	838372	719004	808120	5914	517130	673752	402236	532905	454810	466144	616082	460546	423651	991655	681371	718732	1608458	591330	742681	1529779	620305	888728	9376	941502	849528	378028	368168	422040	1341823	606127	903060	381692	1037208	452394	6710	529775	1070966	Organosulfur	0.36363637	1.9090909	0.09090909
10	C13 H17 O3 N3	264.13428	264.13464	0.06257456	264.13428	18414	16626	14197	13591	7171	5809	11279	17106	5043	8850	9400	15136	7779	2576	12617	27242	21049	9655	11658	12534	15380	30433	13715	25878	13689	7004	18014	4929	12494	15760	12348	15944	17983	16517	9890	15155	21701	11909	30958	15906	21448	8650	0	0	0	13944	11590	0	20797	15848	13677	16622	9917	0	7325	2205	5615	24595	9015	17971	17306	7857	4316	5423	5580	10476	7305	26573	0	6765	10388	13117	13695	10936	14290	15931	0	10713	15741	17240	14978	11284	11189	11057	5947	5923	22135	12114	8939	43330	15869	19014	46682	12408	17250	0	13355	16409	3793	4964	3242	18473	9708	16455	0	20432	5153	0	22392	8402	Peptide	0.23076923	1.3076923	0.23076923
6	C13 H17 O3 N3	264.13428	264.1347	0.022953877	264.13428	39336	37110	35745	37184	12941	14032	32163	47161	12952	37643	25047	28491	10400	7238	32831	56250	50464	17574	28803	49990	51487	59345	32345	63356	28571	23413	30234	16034	36762	37208	37666	39693	47331	37858	50104	38345	46272	32738	69061	40214	69004	22131	0	0	0	43089	53178	0	55254	41781	40654	33367	21488	0	14841	5816	11538	46588	25760	44442	49272	30330	16329	11283	11509	18018	19861	65935	19070	31104	36011	36148	35772	31190	31865	35731	0	25829	35107	20454	31382	26470	33728	37508	9694	16105	39491	23958	23919	92381	42896	41931	89587	34974	49526	0	38077	29749	9773	6039	8391	48865	25276	46078	20242	49004	9793	0	36173	17238	Peptide	0.23076923	1.3076923	0.23076923
8	C13 H17 O3 N3	264.13428	264.13467	0.044299446	264.13428	24750	27653	21648	26965	9244	12539	20596	30827	9113	17832	16205	24471	14265	5401	22560	42196	43815	13862	17082	26391	29398	46134	22730	60084	26710	11958	26128	9736	23491	25104	26478	30341	29525	26127	25546	23245	35081	21018	48334	34023	40909	12137	0	0	0	26142	27877	0	33598	28058	22026	25474	11776	0	11511	4311	10495	35390	16470	30959	35552	15660	9705	11740	8829	13145	14990	42748	8883	19628	22442	30173	20946	23271	23018	26016	0	19547	28805	15953	24301	17144	24846	25496	9644	9920	30246	20189	15977	74796	22074	21829	67895	20952	34526	0	30876	26969	6010	5493	5811	31098	20818	28205	8073	36992	8951	0	31068	9632	Peptide	0.23076923	1.3076923	0.23076923
14	C10 H21 O3 N3 S1	264.13763	264.13806	0.4174565	264.13776	0	1650	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1925	0	0	0	0	16099	0	14046	2045	0	1238	0	0	0	0	0	0	0	0	0	0	0	2091	0	0	0	0	0	0	3113	0	0	0	0	0	0	0	0	0	0	0	2350	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	94219	0	0	62410	0	0	0	4475	0	0	0	0	3590	0	0	0	12579	0	0	1248	0	Peptide	0.3	2.1	0.3
8	C11 H21 O6 N1	264.14417	264.14456	0.026989661	264.14417	6213	4882	5154	8105	9604	9361	19831	9990	9603	1943	1874	3209	17660	40356	6974	6307	11691	12054	12908	2489	2649	1969	5854	4427	5428	12285	9432	6364	7681	6281	5793	5620	4692	5918	1486	9685	6449	5172	9672	2637	4287	7903	7732	0	0	1934	3171	0	6539	5811	3255	6384	7773	1791	11827	8801	4848	4315	2428	5918	7336	0	14374	9364	17601	14576	8468	5087	0	2930	3092	5307	8065	9535	7199	4719	0	3736	5185	4656	4097	3490	89513	67968	12246	9234	5720	6357	5450	4278	0	0	4683	0	0	3048	4787	8485	8566	10271	11832	8556	3794	3330	18455	6121	10342	0	5543	11788	Lipid	0.54545456	1.9090909	0.09090909
10	C11 H21 O6 N1	264.14417	264.14453	0.13021402	264.1442	4457	4434	4838	4769	9090	6929	10144	4291	7695	0	0	3408	16489	15193	5176	7078	16506	12769	13091	2041	2627	1569	5758	4067	7753	2067	4319	0	11136	6722	5591	4858	7955	6599	0	8921	8912	3705	14421	0	0	7041	1933	0	400	0	0	0	6287	6369	3784	2837	8376	1052	10295	7138	4993	7357	0	1798	0	0	7690	5930	7951	8638	6943	9735	0	1553	0	5394	6381	10140	8700	6752	0	3029	3132	0	1483	651	25042	15009	14602	10337	3825	7315	6655	3461	0	0	2797	1332	0	759	5341	6977	7487	8997	13742	11436	2451	3855	0	3758	12089	0	2288	9568	Lipid	0.54545456	1.9090909	0.09090909
2	C11 H21 O6 N1	264.14417	264.1446	0.004622225	264.14417	30390	36129	34383	31524	43155	47565	13983	39223	32793	9968	8007	22522	68913	24081	21807	18490	33201	76788	58113	13526	12384	27009	19146	34317	12480	0	7863	15249	45055	25494	33426	39534	61059	59322	16364	36676	58959	15459	33485	9111	5350	42516	5865	0	0	12623	4922	0	42528	29967	30903	32052	45312	0	26181	16377	12096	37050	7212	3681	27690	2505	61920	24507	13482	79515	38496	49055	0	3273	732	76310	51535	35456	21388	32312	0	18036	12141	48617	12891	4206	3234	2604	51093	17214	14778	47787	32955	26048	24642	26808	50605	9601	9930	0	33582	33021	15468	15774	17907	45771	19485	14013	3987	47742	19650	0	11629	144030	Lipid	0.54545456	1.9090909	0.09090909
0	C11 H21 O6 N1	264.14417	264.14465	-0.049752817	264.14417	8566	7543	5802	7281	14539	16123	2052	15226	9375	1584	2178	4248	17794	6189	4688	3391	4052	26611	17527	2992	6470	6625	6825	7053	5167	0	0	4988	28702	5939	20182	19206	37848	20502	5874	14006	19210	4208	5209	1849	0	14780	0	0	0	3797	0	0	14696	5702	6091	7079	14938	0	7744	3436	2514	20753	2621	801	7216	0	14724	9072	7893	18381	23485	3964	543	0	0	23628	26414	16411	0	11991	0	9430	2613	10039	2345	1127	0	0	4373	3673	2780	12631	16015	6147	9260	6861	12557	3516	0	0	7905	7425	3102	2629	6205	8782	8140	3538	1347	14662	6714	0	1851	33930	Lipid	0.54545456	1.9090909	0.09090909
4	C12 H17 O2 N5	264.1455	264.14587	-0.19360721	264.14545	1272	0	0	982	0	676	0	1383	0	0	0	0	0	0	0	0	0	842	0	0	0	0	0	1791	0	0	0	0	0	0	1229	0	0	0	0	0	1299	0	0	0	0	0	0	0	0	5380	13557	0	0	0	0	0	0	0	0	0	0	1847	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25574	0	2083	0	0	0	0	0	0	0	0	26368	14731	1852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.16666667	1.4166666	0.41666666
0	C12 H17 O2 N5	264.1455	264.14584	-0.45173216	264.1454	0	0	2411	2683	0	0	0	0	0	0	0	0	0	0	0	0	16661	0	0	0	1556	0	0	0	0	0	0	0	14804	0	0	0	6966	0	0	0	5525	0	22046	0	0	3590	0	0	0	0	0	0	3185	0	0	0	7053	0	0	0	0	0	0	721	0	0	0	0	0	0	0	20208	0	0	0	0	0	0	7324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3218	0	0	0	0	0	0	0	0	5346	0	0	0	8927	0	0	1620	0	Peptide	0.16666667	1.4166666	0.41666666
16	C15 H21 O3 N1	264.15942	264.1598	0.1473322	264.15945	68605	73897	66627	61260	42566	31135	56063	70099	20662	86031	72005	39182	37188	29672	47433	88729	102682	46345	35801	128583	111166	113590	42729	77032	55590	120248	48668	58959	64355	58797	60847	71596	90588	53454	103593	62901	77857	36703	111749	96127	157913	36650	2537	1628	1203	78852	111325	1408	70777	67225	64549	69835	41764	1707	22504	68889	28423	92222	37804	95609	82366	56040	25445	24550	20253	43094	45912	93737	92794	95121	146345	58788	59404	56900	87513	62981	1093	36417	58771	89078	42078	62369	61202	78831	38548	24540	78048	45070	34372	186584	103364	105681	130928	83638	125300	2002	65354	67305	26030	51356	56015	84092	36341	77750	40023	79766	38900	1214	62173	35890	Lipid	0.2	1.4	0.06666667
2	C15 H21 O3 N1	264.15942	264.1599	0.06062649	264.15942	420870	423315	376330	392398	96899	177661	324496	587238	63893	441251	215837	302840	80277	94146	337427	665395	521836	216784	231809	527124	497095	484684	280159	593108	372763	244375	367280	183958	588635	525721	489070	646816	647758	550400	499870	619998	590539	278555	573830	431733	391928	199566	2746	1215	1189	226912	205077	1410	701900	467838	372536	407930	149100	1515	115531	31510	82158	668724	61533	120481	591826	218033	67560	102602	78268	122432	230990	622166	199546	316687	324382	475613	563253	605167	715872	540681	866	307625	286289	179714	213289	83151	192397	268439	49778	101797	334213	216527	280715	805774	546820	401705	930850	238606	501024	2246	399756	429513	53785	31275	40350	617684	259217	583414	108152	524280	50458	829	317353	87636	Lipid	0.2	1.4	0.06666667
18	C15 H21 O3 N1	264.15942	264.15976	0.12634684	264.15945	66365	73604	63151	68442	62484	37211	44147	64500	26493	115879	89040	50239	37741	34973	53031	91054	79722	56079	81280	141454	133374	102385	37108	87876	43041	78730	48259	92967	59442	57164	59517	54575	68211	51063	97720	57668	66011	44676	81015	100598	142726	42529	3501	1233	1460	64810	91703	1726	72089	58517	65322	64379	46108	1585	30912	24250	27211	88974	38953	79848	80881	65468	42419	25040	24440	42761	46288	85871	59741	77007	117928	53209	41295	53637	84066	54915	1475	41740	39763	103344	30091	54588	52457	78444	41092	34294	51891	42120	57788	124543	113051	111701	88813	91956	111647	1764	68017	68725	26604	36184	41400	76517	44616	71622	37178	58569	40898	1367	50358	38911	Lipid	0.2	1.4	0.06666667
6	C15 H21 O3 N1	264.15942	264.15985	0.043505643	264.15942	126588	141710	124378	128994	99957	63895	73391	139690	60998	220883	99553	69369	92030	144970	72532	171133	107761	88090	99893	235739	260327	174165	70222	214887	76718	131604	75544	86839	110071	104717	123774	137802	163585	123378	281463	113960	149648	66549	153785	134499	157834	57489	2121	964	1115	112264	113715	932	157937	106085	135398	125655	75604	1251	91107	53011	38432	174758	10830	60296	162345	82670	93005	50047	25083	98840	93655	167872	103999	188373	225624	114524	112334	105898	113314	110859	898	62460	80407	72251	66408	35777	37166	129785	42682	34521	95457	56820	76784	252439	163085	87522	235243	112557	203937	1126	126933	115575	49000	42966	56371	149738	66126	129357	48296	155644	50293	821	83827	92348	Lipid	0.2	1.4	0.06666667
12	C15 H21 O3 N1	264.15942	264.15982	0.08935623	264.15945	73205	83834	81411	68294	28688	23667	55441	61398	17304	113805	59700	35888	17071	16693	33134	117997	74750	28872	37042	132180	128702	125270	36634	106881	38739	112977	59048	37926	58052	68585	55414	79115	65856	69168	106733	73048	78886	33520	85638	113949	158360	33858	1940	1605	1165	79913	130430	1442	83933	71755	78154	79620	22411	1811	20481	11795	20215	96335	24512	53285	60571	57017	23325	20315	12336	28908	29989	83206	80574	123589	177255	65069	65292	75897	127748	70311	1036	40042	53637	52968	41298	49611	44187	77189	16993	16873	50476	34464	30608	149698	110016	89550	127536	70310	155459	1513	81510	82264	16909	12832	18332	82946	37802	85582	29883	75952	22009	1480	53014	27147	Lipid	0.2	1.4	0.06666667
4	C15 H21 O3 N1	264.15942	264.15988	0.05650258	264.15942	297487	336340	302821	312289	164763	138259	161136	384825	98439	350420	154127	399153	119707	78101	455978	460898	247866	198231	272430	362394	384364	436596	252025	430857	275105	172758	168323	147406	334968	245978	632284	340224	381011	301368	486756	302440	360654	458430	280365	256789	232478	124482	2696	1464	1205	194217	149135	1773	474785	300470	312445	266710	148083	1383	134637	51821	72245	469793	20767	52144	432628	144513	118073	101886	56943	174109	138702	307935	175941	253570	281219	316896	275508	272661	286607	262378	1104	401949	271537	153530	177306	49508	68613	178504	75885	68444	462796	150710	183708	1453081	335534	183629	573072	197331	325507	2915	293219	328600	74237	65914	67023	316108	361329	245075	69343	283421	94832	1562	294445	172099	Lipid	0.2	1.4	0.06666667
8	C15 H21 O3 N1	264.15942	264.15982	0.08281898	264.15945	84933	94794	75376	84461	44229	36014	139781	85165	26965	141425	71796	65772	47916	44642	52558	131187	83141	44624	64414	172591	189551	109572	55198	118734	45934	96425	199730	71889	79082	70943	68322	90880	92255	74502	155132	75297	94237	47538	107708	107977	117364	43197	1667	987	1048	60183	63231	1003	100294	80903	78505	82068	43321	1283	36520	19962	22336	109891	10073	48413	99231	47490	43571	33564	24473	50058	43695	113316	80588	135987	151504	83653	76029	65767	76161	76591	804	61786	65556	59371	43799	23346	23235	79025	26661	21199	71710	44463	49137	173504	83322	62629	159951	69793	110164	1256	81962	80791	23872	26932	22880	88669	56120	76721	18691	87005	26250	905	57566	42594	Lipid	0.2	1.4	0.06666667
10	C15 H21 O3 N1	264.15942	264.15982	0.09964034	264.15945	72457	70097	60600	58668	35957	26107	42429	64965	21647	98846	47870	39692	30445	18054	37371	80409	61055	36063	47968	124974	141275	71846	41135	87942	39246	104303	53862	44749	58373	60635	50973	72629	89894	58598	106830	67201	83273	41347	82111	83470	95236	27014	1692	1649	1285	48379	61741	1676	73144	56893	65283	57811	30128	1944	26814	14917	17036	81399	16279	50270	81838	42899	26337	21682	15884	38810	27294	93610	78575	110134	134974	52443	57618	68915	70182	57781	1111	35863	44990	45882	39930	28281	26993	51629	24813	20174	55239	32787	32236	113150	73410	42484	113804	52893	102347	1294	60459	60304	16128	30189	25608	71271	35175	56355	15963	68921	21174	959	50850	26817	Lipid	0.2	1.4	0.06666667
14	C15 H21 O3 N1	264.15942	264.1598	0.13027273	264.15945	82467	89165	77404	84322	41102	30567	53201	54280	25987	112651	71100	47011	24071	19181	27402	73877	91862	40573	42537	115384	142118	130585	31380	62445	40019	142628	59921	59477	55124	55741	53856	79654	54227	72525	106804	58094	70545	37428	87894	140890	212419	33256	0	1059	1298	73389	126646	1282	85094	52484	87066	74706	31226	1410	20467	20288	25421	99171	43059	91967	58287	61113	22096	19040	20224	37652	33111	100967	92295	125685	216399	56526	57103	53406	75319	69365	1182	37484	47878	55539	39664	60157	78155	110050	26331	18409	61684	38553	39973	175997	131733	119625	115708	90857	152325	1477	86377	64797	20123	22888	28701	63259	41221	95604	37897	78010	25889	1100	61356	23102	Lipid	0.2	1.4	0.06666667
22	C15 H21 O3 N1	264.15942	264.15976	0.1626225	264.15945	20654	20348	15318	18853	28215	16632	9164	18652	7013	33937	33880	13038	4657	9193	14192	24796	19254	29663	12177	40452	38641	23961	13813	25355	15049	5689	8457	34551	19664	15225	16255	23482	21219	24901	28674	19956	21975	9364	17478	22806	35641	12145	0	0	1455	20204	17188	0	23701	18339	21141	15910	27080	2076	7249	3389	11619	21784	13248	17703	27128	17060	11274	6311	6173	10112	15382	15934	5144	6202	8300	14186	15060	14982	11341	16174	1454	12224	8341	28690	8999	13528	14691	17305	9702	7150	17220	17101	14288	41118	38794	34055	41034	34509	35456	0	15214	17906	5120	5710	6714	23394	10393	19794	18235	25388	10786	0	14008	8149	Lipid	0.2	1.4	0.06666667
6	C14 H21 O2 N3	264.17065	264.17105	0.05415219	264.17065	4990	6173	4405	4425	918	1383	3116	5715	738	6179	5306	3119	0	456	2822	6487	5853	1750	1779	5624	6382	5186	3289	8063	3550	3550	2842	21602	6321	4662	4555	5879	7401	8684	6342	3273	5358	2887	5943	5079	3223	2207	0	0	0	2749	4157	0	7557	4863	5667	5789	1850	0	653	0	1353	6724	0	734	6887	1970	998	0	807	2098	2792	7569	2470	3201	3978	8661	7068	4087	5167	4734	0	2260	4290	29104	2901	552	1169	5510	748	0	4118	2255	3037	12505	33197	14642	12093	5011	6803	0	4851	6072	607	0	446	5899	2518	4253	0	7111	852	0	3653	1553	Peptide	0.14285715	1.5	0.21428572
4	C14 H21 O2 N3	264.17065	264.1711	-0.029242134	264.17065	6071	6655	5452	5968	1310	2177	3590	7238	983	5339	2427	3359	426	933	4456	9694	8859	2750	3634	5615	7786	7011	5943	16308	5137	2202	4406	0	6555	5260	4664	7888	6523	6244	6637	6216	7025	4309	9306	5661	4908	2455	0	0	0	4391	4539	0	8616	5504	5322	3864	4730	0	742	376	2158	9264	396	1311	7955	4040	1245	1222	1098	34837	2565	12881	1695	2300	3054	4374	5771	6471	11487	5377	0	3780	7615	4878	5975	915	1253	4945	726	2228	6433	3426	3533	16744	4849	2765	15435	3331	6413	0	5701	5174	862	633	395	8639	3647	5759	0	8099	741	0	6330	1222	Peptide	0.14285715	1.5	0.21428572
6	C12 H25 O5 N1	264.18054	264.1809	0.23372012	264.1806	1144	740	1509	858	42454	5006	541	0	959	0	0	0	1366	1217	0	0	0	2469	1236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1206	0	0	0	0	0	0	0	0	1076	1317	13980	0	0	0	885	0	0	0	0	0	1881	0	876	2469	2605	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	434	0	3668	0	928	628	555	933	0	1195	0	0	0	0	814	1240	2788	638	928	0	0	0	0	0	16494	0	0	3435	Lipid	0.41666666	2.0833333	0.083333336
4	C12 H25 O5 N1	264.18054	264.18097	0.03660542	264.18057	1775	1799	1601	2210	59300	6290	2016	0	3087	0	0	240	2068	6470	437	658	740	5630	3373	0	0	971	0	0	369	1504	2530	0	916	700	0	0	1047	751	697	665	1187	290	0	0	0	2058	0	0	0	0	1859	0	0	0	1808	1498	26152	0	2534	942	1401	1191	0	935	0	0	6859	757	1458	3313	3755	0	0	0	0	0	621	1222	0	559	0	298	410	0	0	528	3966	7059	7601	3561	992	604	795	0	0	1083	0	692	1711	0	1724	1676	4604	977	1235	727	0	0	0	0	29760	0	0	11050	Lipid	0.41666666	2.0833333	0.083333336
0	C12 H25 O5 N1	264.18054	264.18097	-0.17264536	264.1805	1967	3447	3523	2790	4189	0	0	2742	1049	6445	4546	0	6546	11123	0	0	2442	5208	5543	0	0	1806	1757	1751	0	0	0	22684	4027	0	2965	1879	2164	3894	3947	2162	1597	753	3311	0	0	9478	0	0	0	0	0	0	3511	0	2706	2723	5660	0	862	1954	4103	2966	679	0	0	0	3637	1312	6280	8511	12742	1685	0	0	0	2379	3914	0	0	1805	0	1147	1523	68487	1655	0	0	0	1426	1505	1679	3186	2877	1783	9220	2206	4320	13419	5110	0	3308	2470	1395	675	1860	0	0	0	1258	3083	3114	0	0	6403	Lipid	0.41666666	2.0833333	0.083333336
14	C16 H25 O2 N1	264.1958	264.19614	0.09984725	264.19583	4593	2652	0	3756	1135	1336	2665	7774	0	6018	3562	2746	0	0	9745	10136	3492	0	0	8083	8150	0	2880	4873	2026	3815	2210	0	3300	4673	22743	0	9443	4525	7259	3968	6159	7807	4348	4789	0	2206	0	0	0	1464	5313	0	9790	5370	3600	3244	3201	0	0	0	0	8934	0	0	0	0	0	0	0	1939	2656	6010	0	4089	7614	6658	6562	2985	5949	4876	0	1763	2874	0	1630	1126	0	3369	1398	0	2500	1386	1900	12783	12168	0	4508	0	7433	0	3011	0	1154	0	0	4828	3006	2979	0	5419	0	0	1321	0	Lipid	0.125	1.5625	0.0625
20	C16 H25 O2 N1	264.1958	264.1961	0.16341783	264.19586	9086	14180	8249	7517	6788	6378	4298	8833	1242	17276	10638	4909	0	7228	0	13863	10328	5326	9212	17212	19841	9393	2345	7682	2776	34507	5011	12993	8375	7883	7477	8498	9002	8297	10939	9209	8403	3000	11946	14107	35631	8532	1068	0	0	20607	50531	0	14733	18017	10544	12244	6067	1731	0	0	2662	9006	2278	28294	7104	6792	4617	0	1603	7991	3565	12023	20615	26378	41415	8489	8562	5711	114902	10767	0	2049	3904	11914	1162	11086	5395	9331	0	0	31006	10904	5603	60023	19058	16650	17507	13050	21434	0	12065	11026	3042	0	1598	6715	4805	10158	15144	9077	2120	0	6034	12102	Lipid	0.125	1.5625	0.0625
6	C16 H25 O2 N1	264.1958	264.19623	0.06202167	264.19583	91904	98485	80448	96523	74811	34628	149114	130638	19563	81289	39294	61112	8420	61004	45168	119510	48348	27287	54288	94546	88915	49744	35626	98733	51055	28556	201692	38649	69715	86216	94741	129814	105582	84602	106941	77648	86413	45744	64715	46984	12473	30892	0	0	0	41099	36844	0	121272	108698	84347	91893	56068	0	12693	5206	30391	170048	0	0	126237	18401	4563	18273	65351	17536	69308	103515	18162	37064	36044	124806	93162	89582	143449	114438	0	61256	31306	40490	30170	2589	2049	47048	6169	27937	38952	31852	45150	120294	93329	8731	144244	34263	81551	0	78391	66862	797714	2939	4252	81091	74516	51061	24628	94083	19923	0	38972	12634	Lipid	0.125	1.5625	0.0625
22	C16 H25 O2 N1	264.1958	264.19614	0.11675978	264.19583	9850	13738	9017	13245	4371	8338	6646	10510	0	8883	13704	6154	0	0	3799	21450	13549	5454	0	9560	14340	8069	6188	11164	3739	27999	10396	13440	12151	20500	10582	11883	9128	10500	10930	12739	13619	4157	12226	10992	25472	8136	0	0	320	28732	61360	0	21315	45403	12312	10914	3447	1447	0	0	1714	14961	3473	32386	14035	6574	3337	1079	2134	3691	5742	18293	21331	19923	34936	7699	9194	16469	39891	17136	357	4976	12692	18554	6484	17557	6681	10665	0	1162	57061	9957	4246	75252	22602	15241	18929	12415	28572	0	8977	9459	1442	0	0	13231	5264	8402	18440	10048	1484	0	5498	4916	Lipid	0.125	1.5625	0.0625
16	C16 H25 O2 N1	264.1958	264.1961	0.08041111	264.19583	0	1770	2236	0	1421	1430	2913	3212	1181	4742	2977	3460	0	2433	1800	3908	4124	1749	0	8137	4546	0	1400	1895	0	2507	3560	3371	2003	4650	8022	0	2384	1649	5469	1869	1960	1938	3229	2040	3839	2017	0	0	0	2331	4284	0	6407	5257	0	1541	1908	845	0	0	820	2542	0	3155	0	1089	0	0	1241	1725	2939	5956	0	2538	4806	2470	0	2386	39404	1821	0	0	0	0	1456	0	0	2380	0	0	2811	2330	1279	0	4876	2232	0	1294	7536	0	4656	2903	0	0	0	1960	1382	0	0	0	0	0	1307	1742	Lipid	0.125	1.5625	0.0625
24	C16 H25 O2 N1	264.1958	264.1961	0.11112144	264.19583	3130	0	1542	2744	1902	2430	2459	3607	0	0	1249	1268	0	1032	0	8800	4032	1497	0	2951	2056	1358	3273	4888	2363	3009	3758	2642	2043	4590	2812	3298	2870	3123	0	4788	1402	1610	3643	1667	3056	4788	0	0	0	3608	11902	0	7087	12338	3159	4035	1207	0	0	0	1281	2482	1250	5143	2526	1045	0	0	0	1625	1274	5378	3415	2313	2747	2102	2381	2807	7794	5816	0	0	4838	2431	3627	3738	1819	1188	0	0	29433	2670	1007	33661	6450	6046	8505	2734	2664	0	2698	1606	0	0	0	0	1304	2263	4751	2712	0	0	1963	1245	Lipid	0.125	1.5625	0.0625
8	C16 H25 O2 N1	264.1958	264.19623	0.11637384	264.19583	51879	53876	51043	50795	146237	36465	58211	53961	16749	77951	33948	32587	15739	15912	25397	88742	24904	22640	64652	88380	75002	25771	22699	64915	29812	31565	99597	40745	35242	42993	50035	48264	51321	43566	94426	34503	52102	28645	32521	45259	7094	27000	676	0	338	30245	22686	0	54518	47859	42210	53503	31562	0	14161	6826	665147	81270	0	0	79407	14782	10446	13498	82191	48878	195361	52184	19184	43361	37809	56029	37168	33284	36739	36610	0	31779	22951	117245	17951	18064	930	35297	10231	13407	24140	32457	47341	73038	133846	0	79194	29471	55079	0	47019	49384	35553	7960	14338	49645	27937	28161	35329	58062	13369	0	26864	11224	Lipid	0.125	1.5625	0.0625
18	C16 H25 O2 N1	264.1958	264.1961	0.08172642	264.19583	10901	10610	10703	10764	33665	26331	5485	7830	2773	7362	6237	4310	0	80898	2608	8691	13968	21852	33086	8517	13154	4217	1116	2656	1419	12559	4729	6433	9065	11484	9806	11529	8687	7004	7079	9078	7500	1866	13790	5485	12841	36138	577	0	0	8473	11776	0	16856	15887	8692	11165	35046	2019	0	0	7253	6515	0	12828	2113	4347	4216	0	5881	19681	29652	25663	11558	11633	19185	2869	6808	5751	94175	9879	0	3531	3768	6346	0	5196	0	7717	8125	3079	5751	24175	16058	21696	14181	4643	8604	3797	14226	0	8390	11027	3593	0	0	6970	3082	5088	3753	3146	5862	0	2657	13707	Lipid	0.125	1.5625	0.0625
4	C16 H25 O2 N1	264.1958	264.19626	-0.01422893	264.1958	43392	48326	59365	44837	4363	11747	39379	418208	2354	55169	23239	134511	2487	4823	44427	270194	55711	10077	17006	88065	72520	35566	27393	101171	46830	16655	50862	24689	142606	217747	227305	135377	87258	68456	59492	165835	105757	37139	63503	40668	14535	19308	0	0	0	29710	21855	0	292934	361473	60987	37294	11449	0	4638	1192	7104	148977	0	402	240317	19365	1593	6558	11999	7456	23561	60315	11222	25505	19098	90914	76168	153544	78394	108603	0	120071	35204	23748	25066	2123	3691	31063	2856	6538	49205	17458	38516	103316	66913	9882	146258	28286	68141	0	57431	68892	2670	656	1179	84215	92708	67180	11310	83447	2801	0	38836	2046	Lipid	0.125	1.5625	0.0625
10	C16 H25 O2 N1	264.1958	264.19623	0.13667613	264.19583	16777	19492	26168	20725	11118	15239	9049	23186	3669	36655	17089	10821	7320	60422	13518	37731	11926	11663	21955	47425	43846	12488	7648	30665	16981	17174	16426	23001	16615	14272	17255	19107	24949	18026	37160	16176	23472	13233	12962	25976	3539	17191	0	0	0	16559	21403	0	23195	17322	19436	19835	12498	0	7600	4243	20307	35318	0	0	37401	7842	1778	7294	13958	12667	36540	20591	12182	25601	19780	21040	15808	14466	14211	13660	0	10801	8942	22207	6446	0	0	27088	3008	5500	20418	10477	12129	48026	62607	2325	50546	26041	60480	0	20671	18382	6062	1891	5009	15741	9499	13155	0	30280	2300	0	9614	4504	Lipid	0.125	1.5625	0.0625
12	C16 H25 O2 N1	264.1958	264.1962	0.16107513	264.19586	6901	9987	9405	10029	4855	2448	5278	5681	1219	17602	7761	3143	5046	1941	1833	9606	27529	8770	13699	24383	20066	6416	3541	5560	2457	8788	4152	8941	5742	5966	8124	10467	70224	6566	29077	8024	61340	5150	29426	14458	5650	2926	0	0	0	7447	8280	0	12085	4275	8609	8907	2562	0	1762	0	1193	10471	0	0	0	0	3050	0	833	4550	4014	37111	0	12489	13443	8307	7756	7971	6930	8649	0	5712	3176	0	3575	0	0	10807	0	0	21536	3823	4472	37777	33603	2162	14773	7541	20968	0	8531	8398	0	0	0	49144	4069	6561	0	8363	0	0	3749	14705	Lipid	0.125	1.5625	0.0625
2	C16 H25 O2 N1	264.1958	264.1963	0.019076034	264.1958	26690	25635	24148	23316	1371	0	19392	49053	958	22056	8417	18498	765	2394	19243	71312	29087	2631	4557	32760	26408	27863	15600	110386	26747	8869	28989	6570	34506	41559	33079	46767	31248	32763	21828	47339	34025	16408	32620	26501	13514	6474	0	0	0	20964	13725	0	52789	45949	22869	25656	3790	0	652	775	2747	55072	360	954	51482	10223	550	1106	3150	2058	6956	35332	5980	9477	9359	37772	39965	59953	59949	39812	0	20875	32864	13659	31910	2757	4692	18010	481	2483	26769	6015	9097	55026	34243	11960	71026	17807	59119	0	23711	26664	1460	0	0	34948	15401	40837	6014	36145	451	0	23136	992	Lipid	0.125	1.5625	0.0625
18	C17 H29 O1 N1	264.23218	264.2322	0.40048453	264.2323	0	0	0	1571	3220	0	0	0	0	0	0	0	0	0	0	0	0	6892	0	0	0	0	0	0	0	0	0	0	0	0	0	118618	0	0	0	0	0	0	0	0	0	0	1225	0	0	0	0	1064	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.05882353	1.7058823	0.05882353
26	C17 H29 O1 N1	264.23218	264.23242	0.10916363	264.2322	3542	5011	4074	2501	0	0	9391	16191	0	0	0	2935	0	0	0	88115	0	0	0	0	0	0	0	24225	26864	11853	5627	0	12954	0	58928	8222	0	5180	0	19128	0	4168	0	0	0	0	0	0	0	8257	8461	0	3003	9823	3342	2867	0	0	0	0	0	46319	0	0	86770	0	0	0	0	0	0	0	9122	0	1638	10922	5916	8764	0	5801	0	4026	7804	0	4877	7961	0	0	0	0	105824	0	0	45479	2814	2787	0	0	0	0	3815	0	0	0	0	0	2897	0	9753	3639	0	0	20720	0	Lipid	0.05882353	1.7058823	0.05882353
24	C17 H29 O1 N1	264.23218	264.2322	0.1193673	264.2322	0	0	913	0	0	1482	3179	0	0	0	0	0	0	0	0	1834	0	0	0	0	0	0	0	0	0	0	3249	0	0	1971	1093	1553	2343	0	0	0	0	0	1302	0	0	0	0	0	0	0	0	0	2796	4203	1227	0	0	0	0	0	0	0	0	2934	0	0	0	0	0	0	0	0	0	0	0	855	0	2260	0	1870	0	0	0	0	0	0	0	0	0	0	42102	0	0	24754	1361	0	0	0	2359	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3761	Lipid	0.05882353	1.7058823	0.05882353
10	C17 H29 O1 N1	264.23218	264.23257	0.14183407	264.23224	0	1966	1387	1302	0	0	0	0	0	1699	1553	0	0	0	0	1686	0	0	0	1279	0	0	0	20043	1301	2073	854	0	0	0	0	0	0	0	2247	0	0	688	0	0	0	0	0	0	0	0	0	0	0	1149	0	0	0	0	0	0	0	1427	0	0	0	0	0	0	0	0	0	0	0	0	1483	0	0	1047	2478	0	0	0	1203	0	1398	0	0	1055	0	0	1004	0	0	16393	4533	0	6381	0	4462	0	0	1079	0	0	0	0	0	0	0	1619	0	0	0	0	Lipid	0.05882353	1.7058823	0.05882353
16	C16 H29 N3	264.24344	264.24384	0.38009655	264.24353	0	0	2132	0	0	2173	0	11348	0	0	0	1820	0	0	2667	25524	0	0	0	0	0	0	1169	4685	3523	0	0	0	3849	6378	2421	0	0	0	0	2908	1849	3180	0	0	0	0	0	0	0	0	0	0	7549	17095	0	0	0	0	0	0	0	4690	0	0	9071	0	0	0	0	0	0	4958	0	0	0	0	0	2198	0	6326	0	2374	0	0	0	0	0	0	0	0	0	1121	1409	0	0	0	0	0	0	0	0	0	0	0	0	0	1766	0	0	0	0	0	0	0	Unclassified	0.0	1.8125	0.1875
20	C16 H29 N3	264.24344	264.2437	0.083753094	264.24344	0	0	0	0	0	0	0	1820	0	0	0	0	0	0	0	35256	0	0	0	0	0	0	0	5050	8592	0	0	0	1881	6542	1605	0	0	1621	0	2256	0	1344	0	0	0	0	0	0	0	0	0	0	1665	4178	0	0	0	0	0	0	0	4252	0	0	14943	0	0	0	0	0	0	0	0	0	0	2061	0	0	0	2134	0	1815	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9094	0	0	0	0	Unclassified	0.0	1.8125	0.1875
2	C8 H8 O8 S1	265.00125	265.00137	-0.8575863	265.00104	0	4832	0	0	0	0	0	1280	0	379	0	440	127467	869	0	284	0	11590	3863	0	0	0	0	3227	0	0	0	0	5030	845	0	0	0	2062	0	685	1648	0	0	0	0	0	0	0	0	2556	0	0	1836	640	5788	0	389	0	370	0	0	1826	340	0	0	0	26899	318	0	165134	441	0	0	580	0	10021	2864	0	0	0	0	322	0	0	0	0	0	0	0	0	0	3515	922	0	11090	38993	0	0	0	0	0	6250	0	0	0	0	0	0	310	0	302	0	0	0	Organosulfur	1.0	1.0	0.0
16	C12 H8 O7	265.03427	265.03464	0.17121829	265.03433	6812	9613	7459	7479	28969	22317	8747	2209	24775	1938	1882	9292	44988	23277	8626	7138	4950	48755	36662	2532	0	5147	15267	4228	2885	0	12558	3060	2300	2901	3815	4030	10707	2096	2534	4060	8978	7429	4477	2044	1403	13893	1908	1035	1747	1101	1734	2543	5945	3203	10391	10671	22458	1347	22245	16029	13721	5056	1893	0	7276	1114	47291	21312	11686	40788	17690	5681	0	0	0	2511	2137	2122	2418	3669	1370	4221	12145	5575	13450	2085	988	0	35071	18809	14683	14255	21151	0	4757	2188	0	7539	3162	1601	6511	7260	16610	28109	32766	8442	8473	1880	0	0	19486	1590	5361	48426	Phytochemical	0.5833333	0.6666667	0.0
22	C12 H8 O7	265.03427	265.03464	0.13931887	265.0343	1363	5412	4046	2558	11295	9208	0	3253	10238	0	0	3066	14145	7996	5111	3725	3414	17394	10790	0	0	4413	8592	5545	3941	0	2064	0	2758	0	2997	0	3279	0	1419	3041	3366	4016	0	0	0	4464	0	0	2359	0	1946	2847	2699	1197	3199	1541	11799	1199	10024	8804	8182	5376	0	0	3574	0	20958	12726	6915	19546	5599	3352	0	0	0	0	0	1286	2312	1931	2167	3006	16640	0	14449	0	0	0	20872	9013	11109	7099	6946	4117	0	0	5024	2736	0	0	4615	3327	5943	14542	15661	2935	3564	0	0	3409	7809	0	5162	25879	Phytochemical	0.5833333	0.6666667	0.0
14	C12 H8 O7	265.03427	265.03464	0.18138607	265.03433	15794	19954	13632	13871	41657	23419	10471	7465	41587	2047	5190	10214	60940	25855	13665	9110	8480	56786	46748	3891	3541	5073	17802	5243	4073	0	7432	0	3741	5045	6517	6274	11636	5619	3791	5875	12923	15827	7661	0	0	19635	2785	849	1414	1711	0	1751	5970	5557	14220	13020	29560	874	35589	26167	20261	11123	0	0	0	0	66958	37626	22172	55157	24583	6936	0	0	0	4613	3397	3273	5396	6007	1072	11443	15513	0	19148	2509	0	1042	42202	18733	22076	21887	27464	14050	4128	4045	10937	7244	5064	1849	14735	12403	23028	37342	41871	7846	15343	0	0	11242	21449	973	6990	62110	Phytochemical	0.5833333	0.6666667	0.0
12	C12 H8 O7	265.03427	265.0347	0.2389055	265.03433	14029	11336	13868	12586	40214	22718	3551	5583	38611	2853	4426	9222	54816	24648	8120	7222	7915	47538	54334	2271	1873	4891	15348	6718	2096	0	5591	0	1489	2773	5741	2472	8061	3742	4724	2929	8928	9701	7681	0	0	18165	1441	662	1282	0	5360	1446	2735	1779	12961	14816	26844	753	31979	27981	19401	6843	0	0	0	0	74474	41514	17707	56088	20804	9269	0	0	0	2791	3572	2471	4121	4530	813	7661	12463	0	13726	2421	1147	0	36321	15202	12478	17750	23447	5401	0	9019	4878	6679	4548	1044	9631	11600	30155	37288	35842	9465	9583	0	0	5658	24101	619	4270	79941	Phytochemical	0.5833333	0.6666667	0.0
24	C12 H8 O7	265.03427	265.03455	0.12042527	265.0343	4057	4047	2253	4609	10144	11003	1330	0	11672	0	0	2556	17041	11828	2592	2731	0	21230	13737	0	0	3234	6825	3143	2900	0	1803	0	1436	1902	1522	0	2571	0	0	0	1921	1727	2457	0	0	3295	2773	0	0	0	0	2506	1550	0	2630	2755	6621	0	8963	6725	3689	2635	0	0	1995	0	18841	11298	2902	18647	3236	0	1215	1426	0	0	0	0	1604	1291	0	3697	10986	1391	12610	776	0	0	18481	8153	8006	6624	7184	3196	0	0	1881	2223	0	0	3076	3582	7979	8060	12171	1629	2113	0	0	2769	5034	0	2877	22283	Phytochemical	0.5833333	0.6666667	0.0
10	C12 H8 O7	265.03427	265.03467	0.17933896	265.03433	8682	9604	6052	7386	32307	16325	2962	1759	30762	2259	2421	3496	53885	17152	4089	4510	4074	38036	37595	1561	2036	3365	6755	1935	1105	0	4258	0	2015	2327	2001	3511	6210	1184	1670	2063	5896	3483	3131	0	1941	11814	687	0	1031	0	0	661	2649	1164	8393	6644	18892	338	25516	24922	12483	5464	0	0	0	0	50653	30150	12262	40277	13763	5400	0	0	0	1847	1856	1437	3188	2782	0	4414	7844	0	8047	1185	0	0	32213	11970	7928	14407	15858	4189	0	0	3173	2675	2025	1104	7393	10221	18765	38387	28899	6038	5357	0	0	3237	21743	502	925	55376	Phytochemical	0.5833333	0.6666667	0.0
18	C12 H8 O7	265.03427	265.0346	0.15915485	265.03433	7405	6063	6336	6990	25048	17139	4680	2759	15038	0	0	5016	24309	23891	4172	3387	4669	26071	28599	0	0	3817	11145	3140	3308	0	6266	0	0	2591	4453	0	9027	0	4747	0	10031	5729	4186	0	0	9115	1417	1048	2073	1863	2527	2995	2979	0	8975	5403	14632	1294	14328	13740	12218	3852	0	0	5073	0	37476	17556	10783	32955	12823	5400	0	0	0	1621	0	0	1346	0	1780	4511	15747	3741	14869	0	0	0	31611	13118	12393	11515	13141	2924	0	2116	3621	2306	2279	1822	6367	6678	14705	19892	22645	8199	3758	1702	1409	3812	14818	1608	4345	29062	Phytochemical	0.5833333	0.6666667	0.0
20	C12 H8 O7	265.03427	265.03458	0.16643588	265.03433	4112	4762	4938	3372	20201	9991	2763	0	14693	0	0	2815	16307	16693	3018	3256	2152	20282	20665	0	0	2635	6329	3762	2952	0	4219	0	0	0	2772	1725	1692	1218	2099	0	1747	2882	1863	0	0	6530	1760	1053	2443	0	1808	3352	4000	0	5426	3622	12164	1279	7347	8513	8307	2792	0	0	1669	0	26403	15630	4687	24067	7191	1968	0	0	2071	0	1691	0	1873	1382	1776	3681	17377	2546	11833	2687	0	0	20058	8188	13928	9151	6049	4419	2647	0	0	0	0	1598	3513	4617	11954	17508	16362	0	4674	0	2198	3029	12049	1532	3690	25772	Phytochemical	0.5833333	0.6666667	0.0
8	C12 H8 O7	265.03427	265.03464	0.208263	265.03433	4612	5468	2722	4049	16365	6878	879	0	16250	0	0	1849	29943	7877	1706	0	1272	14339	19047	1206	0	1423	1784	0	0	0	986	0	0	0	1020	915	2008	943	1451	0	2583	1525	1592	1274	0	5281	566	272	839	0	0	655	0	0	4027	3770	10290	369	14757	15716	6575	1355	0	0	0	0	34284	20214	4544	23541	6079	2075	0	0	0	938	0	0	1215	876	272	1429	2798	0	2740	0	0	0	17042	4925	2453	7280	7779	1453	0	0	0	2461	0	518	4288	3165	15340	26941	22057	2393	1346	0	0	2135	14008	344	702	34351	Phytochemical	0.5833333	0.6666667	0.0
12	C11 H8 O6 N2	265.0455	265.04593	0.26828033	265.0456	3030	2434	2713	1565	7626	2609	0	0	6797	0	0	1390	8767	2331	1296	1547	2267	5660	10873	0	1427	4112	1246	0	0	0	0	0	0	0	1395	0	0	1719	0	0	0	2379	4176	0	0	3913	0	0	0	0	0	0	0	0	1965	0	3902	0	6263	2981	3896	4374	0	0	0	0	15028	7327	1711	9448	3455	0	0	0	0	1431	0	0	1736	0	0	1527	2862	0	2233	0	0	0	2488	1379	2121	5696	5015	6387	0	0	5164	0	0	0	3616	0	4482	3622	1657	2110	2000	0	0	4251	2754	0	0	26139	Unclassified	0.54545456	0.72727275	0.18181819
14	C11 H8 O6 N2	265.0455	265.0459	0.21681562	265.04556	6235	4152	6194	6646	14894	9365	3364	6037	11391	0	0	8248	17939	3380	3836	8155	10169	18954	19948	0	0	3987	8044	8641	1283	0	2861	0	4872	3320	6196	0	11369	8714	2580	4511	7589	4735	9606	0	0	11475	0	0	236	0	0	0	5436	4320	5947	5541	12207	0	14958	4013	6399	6331	0	0	0	0	24500	18530	4764	19801	12716	15123	0	0	0	2926	4161	1459	4692	2897	0	4272	7274	0	6943	0	0	0	9627	5238	7289	15750	12499	13330	0	0	16247	0	0	0	5877	8200	5438	10281	7109	8366	5380	0	0	13813	5747	0	3706	28299	Unclassified	0.54545456	0.72727275	0.18181819
16	C13 H12 O4 S1	265.05292	265.05328	0.27169383	265.05298	9350	8091	8001	5592	8013	8814	2065	0	7280	15891	15880	0	13796	4643	3121	6796	3843	13243	9061	13831	14290	20098	2894	2116	4199	9013	2346	12317	0	1490	1586	3971	6037	1389	18959	0	6253	1616	2630	17568	22359	4197	467	0	338	4068	14317	0	2104	0	6845	6656	7472	343	7383	5738	2909	5368	8538	8023	0	9823	4178	5211	3624	9468	4121	3549	8242	10054	8205	0	0	0	0	0	0	1340	5092	23931	1340	8179	7161	13435	7722	5806	6982	6391	7425	0	25037	23580	0	27777	43611	405	3884	5213	6060	7671	4596	3597	0	4180	8031	0	8582	0	1008	8350	Organosulfur	0.30769232	0.9230769	0.0
18	C13 H12 O4 S1	265.05292	265.05325	0.20467709	265.05295	8841	6722	8387	5762	12831	7451	1866	0	8841	14569	12468	2067	12359	4967	1444	4706	3302	13044	15987	13741	11900	16849	2773	5512	1875	7488	3055	13690	0	0	1841	3409	4681	0	20249	2916	4093	1786	3804	18580	15067	6179	602	0	402	6110	8918	633	2929	0	6779	6159	7240	633	4195	4816	4884	4787	6642	8138	5372	9908	5273	3088	2691	12014	3944	2757	4841	7002	5184	1668	1845	0	2118	0	570	1672	3834	21687	2584	5610	5652	13918	8092	4497	5473	6713	6393	3745	29033	34477	2362	25014	33819	756	5652	6169	7695	6483	8084	2239	2387	11471	3938	1874	8968	456	3284	11674	Organosulfur	0.30769232	0.9230769	0.0
14	C13 H12 O4 S1	265.05292	265.0533	0.29574576	265.05298	4057	5398	4479	6328	7125	5358	1955	0	4889	14499	12015	0	6970	2343	2026	2298	3153	11231	9340	8107	9930	15429	0	0	3679	13955	1781	9314	1343	0	1152	0	2772	1982	18183	0	2417	1849	2170	14851	19119	2986	0	0	334	3875	11521	0	1903	0	3251	3978	4651	0	2774	3801	4304	2302	5478	5556	0	10047	3536	3697	1404	7390	3701	3161	0	11642	11191	0	0	0	1357	0	312	0	3334	15267	1958	4888	3802	13588	7014	3067	3828	3432	3484	4702	16800	16874	3107	25692	31080	488	8217	5279	5757	3784	4241	2532	0	7460	0	2919	6284	0	2085	5364	Organosulfur	0.30769232	0.9230769	0.0
4	C17 H12 O1 S1	265.06818	265.0689	0.67324466	265.06833	0	0	0	0	1293	467	0	0	784	0	0	0	730	830	0	860	0	873	889	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	241	0	0	369	881	0	0	0	0	0	0	0	0	700	696	643	0	545	0	746	0	503	0	0	0	1377	1206	0	970	1108	0	0	0	0	0	0	0	23485	0	0	308	0	0	0	0	228	0	850	392	0	678	0	0	0	0	483	0	0	0	0	460	740	826	1286	0	0	0	0	298	1098	0	0	1015	Organosulfur	0.05882353	0.7058824	0.0
4	C12 H12 O5 N2	265.0819	265.0824	0.15367624	265.08194	34462	40295	31164	31576	43256	23594	10454	26811	51325	17403	15891	26119	58313	15931	26752	46656	54371	64616	64269	14959	22221	55762	34424	43004	16674	4790	16264	6036	20369	18449	21933	18032	36253	17226	24625	20536	32477	26931	64150	15150	25415	38634	1288	662	922	19112	20794	941	25923	22923	32633	27348	41440	964	51703	43148	32099	38684	11857	19877	44138	10462	65811	52859	29596	50063	32789	54572	11162	8414	14785	16948	16133	14292	17006	19396	362	16352	30410	9460	24465	9808	9576	5480	50617	35762	33486	54793	43208	83786	11887	14301	93115	13550	14450	1421	29284	34880	38696	56521	47711	37252	23042	18276	10706	48732	39418	589	23368	90658	Peptide	0.41666666	1.0	0.16666667
16	C12 H12 O5 N2	265.0819	265.08228	0.20652427	265.08194	15099	13142	16737	14995	11260	12128	13916	11162	7645	6920	4198	10017	11251	6296	9483	15751	23474	15861	14575	4078	5736	24732	14496	19186	15514	2090	9740	2819	13194	7389	14578	15777	17680	11225	6243	11473	22381	12161	21383	7593	12034	9283	897	962	1213	4865	3792	1326	15491	8609	18387	16241	11154	2987	7986	5749	9240	17778	4698	7594	19057	5109	6178	10715	6196	11092	12448	26275	3534	4078	5505	12625	9844	6480	14815	10168	582	9129	16038	9594	12282	3866	4885	2407	5888	7093	19606	17269	12089	43105	8072	14613	0	6954	6381	1134	13423	9992	8383	6567	5818	19677	11795	7851	0	24322	5610	1261	18280	16363	Peptide	0.41666666	1.0	0.16666667
20	C17 H12 O3	265.0859	265.08627	0.1915459	265.08597	9963	7247	6543	7783	14598	6357	5087	4938	5588	5155	9744	4598	5778	26595	4402	9590	12078	11881	20033	8202	3420	14336	6590	6887	3409	10825	4732	6418	4377	6624	4415	7087	8119	4474	7378	5354	5495	4892	7834	10405	10779	11673	1564	1163	625	7502	10513	892	5631	6798	3698	11171	13877	1462	3580	6984	6532	12009	4353	8940	5627	6430	10419	3449	6687	12679	19413	8005	8148	6724	9706	4497	5295	3168	8078	6674	428	4213	13050	13119	5642	5815	2676	0	12862	8394	12215	13009	10869	17506	7051	4828	12109	10113	9646	2659	9780	7738	10545	10583	11300	7281	4258	8160	4693	5154	5154	0	6807	8657	Phytochemical	0.1764706	0.7058824	0.0
22	C14 H16 O3 S1	265.0893	265.08963	0.13628682	265.08932	15434	11053	7303	9605	8349	7780	1975	1958	6519	31609	39266	1758	6900	0	2478	4317	2285	11453	6068	42643	42127	35553	2476	2498	4198	7156	1979	36216	1418	1702	1793	3733	2689	2091	30954	2769	4702	2312	5125	19891	21866	3149	0	0	0	14007	22731	0	2206	0	8781	10379	8072	0	2989	2098	2928	5638	12283	14758	3750	14444	2424	4005	2078	10982	8530	4332	2589	6809	6381	0	2014	1166	1042	2138	0	1108	1970	30519	0	16896	13045	11592	2657	3920	5474	6167	5115	3590	43130	49132	4446	34017	48520	0	8203	10357	7742	1457	4745	2812	2456	11032	18519	3871	9513	0	4591	6147	Organosulfur	0.21428572	1.1428572	0.0
8	C11 H17 O4 N2 Na1	265.11588	265.11658	0.6077422	265.11603	0	1130	0	1080	0	0	0	0	0	1621	3241	0	0	0	0	0	0	0	1026	0	0	0	0	0	0	0	0	12809	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	528	0	0	0	0	0	0	0	764	0	0	0	0	0	0	0	0	1343	0	7138	0	0	0	0	12356	0	0	0	0	0	0	0	0	0	0	56102	27651	0	9932	10171	0	0	916	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.5454545	0.18181819
4	C13 H16 O4 N2	265.1183	265.11877	0.11026957	265.11832	411613	490620	445366	434154	301408	238984	309601	495427	303227	312175	242448	407376	268165	108041	387776	593416	971101	446424	525127	368572	415199	555695	399574	552773	264781	118002	332738	182008	394732	382568	413040	404224	637011	368319	458940	468475	620376	372688	1135649	283731	425645	444418	4891	2448	1994	309758	341191	2343	496142	469534	447116	334289	378292	2957	356129	174488	258885	479558	182530	319472	538275	208090	268633	308060	188529	339791	343162	1004650	197992	211776	326791	352089	365408	373538	586601	388453	1238	345517	413611	171590	391056	205444	212161	139511	239593	286938	406214	499096	480328	780456	237610	271535	825767	238850	278348	6448	390373	496357	229885	213555	213406	686224	365897	364216	205197	600422	261314	2490	347745	378704	Peptide	0.30769232	1.2307693	0.15384616
18	C13 H16 O4 N2	265.1183	265.11862	0.13938016	265.11832	11528	11373	10843	8847	12292	6895	14344	14321	4820	4657	4840	8867	6834	6948	9028	21382	25142	7714	12152	3232	8139	21306	8921	21053	9574	0	12147	6961	16737	10260	11158	13331	18232	13706	4988	10113	17267	8278	24885	3976	6525	12154	1442	2032	2257	4835	3889	2921	17950	11308	9048	11246	6822	2197	4376	4220	9276	18853	7432	9103	14187	4114	1919	6629	6133	9453	10977	24279	2313	3152	4106	15947	9568	7783	12058	13908	2081	10092	11459	9795	15041	5078	6253	2115	4795	5842	11395	16799	13534	37686	15541	20589	31271	4993	6709	2432	11437	10478	6744	4138	3568	17257	8580	7377	3398	15490	3286	2331	12494	8107	Peptide	0.30769232	1.2307693	0.15384616
10	C13 H16 O4 N2	265.1183	265.11865	0.03671343	265.1183	407930	371418	361495	353260	183888	183504	332990	475138	160655	293675	193269	321569	155309	81095	321966	639752	545637	315668	350170	324930	359775	575169	347464	601128	341633	158287	408036	170249	413622	367099	354613	442056	587052	398505	325093	374073	566389	309916	672718	359730	457250	477022	6576	2859	2702	299728	277464	2802	479990	378159	367646	393440	255041	3527	220291	93667	131425	547303	267172	361614	584272	203048	144581	190513	131081	230082	245893	692179	200385	298557	303795	391401	341923	290716	441797	370585	2042	276159	389453	220179	335668	237527	288091	190156	122990	163028	392483	342360	314520	856774	297985	346491	901801	263209	435008	4242	376003	366366	114547	92809	99613	509687	271926	400742	150936	545125	140120	2883	390521	242220	Peptide	0.30769232	1.2307693	0.15384616
6	C13 H16 O4 N2	265.1183	265.1187	0.077101745	265.11832	930727	989266	885534	959985	455635	592589	739327	1175970	438455	538468	383457	783439	408983	274271	814457	1528700	1313830	964384	1158509	573361	664791	948306	840040	1405418	683818	171997	765384	278913	1214050	1014894	1092343	1342461	1882702	1249684	748777	1211442	1824472	766945	1818642	364916	592674	911640	5210	2041	1502	586987	509668	1912	1486385	936095	988017	962809	763016	2742	519886	218096	385545	1414319	315525	508671	1426360	296875	359280	444282	350751	657809	944724	2015679	250713	397865	477649	942252	997791	840712	1059513	989267	1440	709826	651821	268604	602470	339753	377132	273949	281102	433854	878229	1075387	1104249	1814051	406512	508724	1827973	353378	468867	4577	936225	837711	254568	256851	296323	1913736	814747	592670	245396	1581809	334280	1770	659771	682718	Peptide	0.30769232	1.2307693	0.15384616
16	C13 H16 O4 N2	265.1183	265.11865	0.11834761	265.11832	43111	45728	47299	46268	25228	32369	51738	67016	14722	23167	26024	47228	15292	16340	47860	79581	109654	34685	36679	22410	29210	60243	56355	85544	48111	11735	53010	21512	57871	58950	53202	67690	83390	70151	32163	61517	84073	44931	125704	26521	38697	47046	2356	2417	2782	28479	25683	2643	81288	59978	45699	47999	33746	2419	14298	7778	29826	82014	24625	43697	73060	16362	13390	17476	20837	31589	43331	116057	10336	17016	22535	64463	55849	39900	68079	54705	1544	45340	78099	39552	47054	23265	34834	11909	16218	22023	65172	63386	48122	170297	44737	41109	117666	25036	32114	3394	51625	47753	14448	5943	13532	82597	42126	39623	9993	90076	21108	2421	66500	27631	Peptide	0.30769232	1.2307693	0.15384616
14	C13 H16 O4 N2	265.1183	265.11865	0.08803378	265.11832	228406	223252	223119	230583	112108	110017	358094	253877	68157	87909	80788	252121	65457	54714	217857	413540	755751	137124	150943	80904	94882	241409	219860	399267	237252	32103	341887	85292	241624	238390	248900	370361	447644	393377	107967	277134	487914	232092	706487	99744	129959	187050	3762	2895	2046	104513	81948	2862	410035	206158	212868	212164	186162	2282	62483	30847	100024	417230	73704	108212	325867	58001	55276	66468	101383	150623	170948	901965	34502	61629	101258	263896	236983	140324	340799	227795	1616	223599	320160	101822	307004	74080	105103	65328	44171	88671	374883	300678	258828	796597	148387	144216	463939	88955	100072	3995	213995	199857	51569	33268	38784	463784	235814	130666	29576	487727	51105	2705	343493	87048	Peptide	0.30769232	1.2307693	0.15384616
8	C13 H16 O4 N2	265.1183	265.11868	0.06609907	265.1183	825927	902702	767594	807401	346591	482517	691041	1110557	305958	457031	301666	685476	296651	185088	659431	1533660	1345828	646731	843120	544520	559088	891736	653008	1319325	648579	193731	814382	283898	1178566	1036454	1003431	1422210	1443028	1289551	692152	1151399	1594936	618390	1608648	481453	623071	710564	5079	2377	2312	568462	468762	2197	1420700	945096	682058	811392	551319	3433	381304	134733	292796	1311555	332416	441658	1288830	326257	256778	373197	283982	507901	699257	1585769	249736	408668	427329	1018387	1134964	883375	1094359	1163224	1591	715117	698820	349937	557406	354114	391484	305298	213194	310653	741845	844724	898699	1516183	413463	495608	1606240	366130	459031	4634	853844	773820	212270	175993	197559	1430623	686219	537218	187461	1330820	246483	1923	677839	445228	Peptide	0.30769232	1.2307693	0.15384616
2	C10 H20 O4 N2 S1	265.12164	265.12195	-0.120577484	265.1216	0	0	1403	830	380	59148	0	479	0	550	1686	0	0	666	799	0	0	437	0	0	0	0	364	0	0	0	0	4564	0	482	0	0	712	571	0	0	0	0	0	379	0	0	277	0	0	0	0	0	812	567	1471	692	0	0	0	456	450	602	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	361	479	11462	414	0	0	0	268	0	496	0	636	0	32594	31138	0	1698	0	0	0	0	0	479	410	0	440	0	301	0	334	0	491	0	Peptide	0.4	2.0	0.2
18	C18 H16 O2	265.1223	265.12265	0.16412742	265.12234	19802	18860	17260	18283	12877	5881	18030	26171	7228	9424	11071	12364	10689	10290	16315	42082	16438	13777	12225	14011	16005	26354	13764	32183	34138	18671	20761	10639	22303	15121	14401	17629	20450	17988	13459	21782	13203	15096	21550	13692	14847	12462	688	0	465	12575	12421	517	19634	15055	16568	17414	7156	321	9781	7879	9742	52330	10195	13459	35873	9982	8649	11513	8475	11243	11682	23728	15711	18746	29303	16008	12956	16520	23377	18019	302	8618	28503	11982	22916	11160	13556	10042	10082	11982	22071	15890	14611	51238	15297	13807	88941	5943	12345	1123	22709	19558	9711	9385	11649	17234	13335	13968	8245	33982	6536	336	36198	9208	Phytochemical	0.11111111	0.8888889	0.0
14	C18 H16 O2	265.1223	265.12268	0.091202915	265.12234	9695	12032	6701	10080	3032	3742	13750	9370	4846	1971	2453	9479	2757	3034	11101	27595	13929	3509	3365	3654	4939	11185	8998	14204	24457	4765	16571	0	8653	6243	6382	8574	6729	6850	7204	8207	7061	7954	19564	4933	5891	4728	0	355	0	5961	7093	386	7346	5703	10711	10992	5768	347	3997	2593	4157	26269	5028	5778	0	3156	2934	3270	3755	3279	4946	19790	0	4604	9482	6407	6618	9277	14346	9203	351	6364	26913	0	14730	7268	5749	6031	5650	3966	20457	3517	6072	129812	5001	3718	39838	5845	1903	482	12979	7184	3974	5482	4989	4956	9442	6439	0	24318	4600	0	31974	3576	Phytochemical	0.11111111	0.8888889	0.0
16	C18 H16 O2	265.1223	265.12268	0.14207962	265.12234	11873	16173	8825	10419	9085	4526	11617	12032	7043	5050	3506	11535	5243	6314	7115	33037	18055	5310	11833	10716	5810	12873	8823	21946	16538	10159	12916	5554	12531	13761	11928	16722	13529	8336	6159	12355	11466	9289	16158	8233	12777	7627	425	0	305	10963	9399	528	11718	12859	8851	10530	8183	457	5185	6156	6895	32057	8001	12554	22368	4013	5489	4844	6972	4213	5617	15047	11129	11967	17197	9962	8142	12254	14122	11976	0	6594	18566	6867	13500	10813	10007	5584	9718	7817	20236	8413	9475	47596	9828	9673	33357	5512	5088	758	13849	13429	5006	4874	7846	10443	6706	11828	3331	34334	7784	417	23631	4491	Phytochemical	0.11111111	0.8888889	0.0
24	C15 H20 O2 S1	265.12567	265.126	0.23717847	265.12573	7743	6473	3802	6767	4551	1850	0	0	1783	19186	19307	0	3772	1254	0	3392	3014	1973	3395	30413	27950	24792	0	1424	2179	9700	0	24582	0	0	0	1323	2641	0	19982	0	2665	0	2247	9996	16208	0	0	0	0	13928	21855	0	2087	0	5437	5056	2871	0	1269	1559	686	2104	10258	9285	3349	9744	0	1276	0	2659	5088	1557	2587	4992	7110	0	0	0	0	1067	0	0	1874	37039	0	17469	11331	10876	4439	0	4328	1971	2324	5049	63469	49544	4849	35114	42887	0	5181	5102	3385	1571	1933	1437	726	12564	19391	2507	3815	0	3019	2031	Organosulfur	0.13333334	1.3333334	0.0
26	C15 H20 O2 S1	265.12567	265.1261	0.21645781	265.12573	0	0	0	0	0	0	0	0	0	5791	10646	0	0	0	0	0	0	0	0	7029	5248	9899	0	0	0	0	0	10383	0	0	0	0	0	0	7822	0	0	0	0	2069	0	0	0	0	0	4957	0	0	0	0	0	0	0	0	0	0	0	0	3345	0	0	2698	0	0	0	0	0	2439	0	0	2318	0	0	0	0	0	0	0	0	18759	0	4462	3487	0	0	0	0	0	0	0	18780	19777	0	20647	14796	0	0	0	0	0	0	0	0	0	5936	0	0	0	0	0	Organosulfur	0.13333334	1.3333334	0.0
8	C11 H20 O7	265.12817	265.12854	-0.148658	265.12814	2176	2185	1579	0	0	1414	1045	0	952	1732	2682	0	978	0	0	0	840	0	0	0	0	1904	0	1540	0	0	737	11937	795	941	0	0	1363	1228	0	1906	1169	0	0	1976	1312	1029	0	430	346	1941	1737	436	0	1100	1897	1201	940	817	0	0	688	1654	2985	1312	0	3271	0	739	0	1078	1112	0	0	0	0	852	0	1218	0	928	599	0	0	23785	0	674	0	0	0	16718	0	1044	975	0	0	0	0	4630	0	466	1795	1200	0	0	0	1040	636	0	126979	0	0	519	0	0	Unclassified	0.6363636	1.8181819	0.0
16	C15 H20 O4	265.14343	265.1438	0.099046275	265.14346	2032491	2148914	2103684	2071806	2249730	1577325	2234528	1798248	1674256	2209059	1609034	1284105	2360378	2452331	1563096	2579474	2736781	2656376	2813489	3358787	3186516	2339780	1605238	1991961	1536956	2322174	2145803	1503835	1941596	1766355	1763371	2166309	2462665	1671736	2398894	1998181	2437840	1386761	2836183	1752500	2051694	1637247	129156	51816	53830	1429527	1693370	64628	2312334	1674250	2189391	2164029	1885832	59444	1910570	1859547	1316206	2819585	1157489	1628987	2245916	1130928	2248487	1634964	1190773	2433254	1945040	2476705	1717245	2247374	2412891	1511522	1680219	1697990	2328075	1953978	40729	1089548	1920032	1966823	1264154	1284846	2197062	2313591	2214121	1393237	2393427	1694987	1816693	3850088	2517572	2640459	2933988	1817194	2601372	83402	2085627	2306065	1486037	2347567	2965872	2618201	1099696	1773933	872557	2104037	1889153	49616	1676323	2098614	Lipid	0.26666668	1.3333334	0.0
12	C15 H20 O4	265.14343	265.14383	0.0356077	265.14343	1008694	1128774	1124856	1076353	828829	522220	994855	1825556	653503	682325	555327	534365	705400	620223	1318684	3288900	2426932	879895	1078176	988648	923788	1217308	701442	1062521	726721	1066624	2504318	478994	1879432	1785380	765224	2104140	2016450	1509274	729598	1732570	1987770	1348702	2667640	659074	878254	668825	66373	40909	44321	716886	761548	56399	2308030	870724	2214292	1185500	761621	37390	907164	772567	594163	2806368	522739	727015	1367004	408471	976814	656198	499636	874832	708204	1202296	828553	1063453	1126025	1234558	1426918	1566082	2695418	1896372	29130	605388	958812	555460	1482946	620480	2101066	817059	933324	643939	1126152	581747	704522	1874151	2285824	1140821	2919358	558874	1135522	59177	1156063	1081713	633197	1145407	1413309	2328008	1148894	887291	393275	1954672	873428	41129	1528702	862915	Lipid	0.26666668	1.3333334	0.0
20	C15 H20 O4	265.14343	265.14374	0.095310524	265.14346	1374918	1513413	1395572	1230231	1812471	1373852	1255243	1258048	1385353	1578813	943896	880742	2000693	1503893	1256618	1614623	1418022	2053679	2189407	2035572	1866860	1480753	980775	1256396	1081094	699028	1320265	1017936	1595169	1263501	1073204	1457652	1839554	1395383	1511388	1365747	1953831	987285	1314038	982015	881734	1225931	117344	59593	52945	987489	938197	69950	1500769	977504	1415675	1436530	1496658	53482	1648722	1495398	1008598	1745099	1012725	878959	1521441	642746	1681864	1429061	867736	1800426	1387845	1354598	521618	826657	791909	1079717	1271163	1224772	1384638	1326877	44999	920877	1285699	1094417	835903	679895	1301313	957393	1515957	1040510	1439285	1207761	1364176	1854839	2067220	1933784	1803847	1058951	1298313	70705	1439231	1518400	1190802	1794300	1992748	1904259	942631	1441416	778230	1304362	1390007	62256	1085725	1830167	Lipid	0.26666668	1.3333334	0.0
14	C15 H20 O4	265.14343	265.1438	0.06677645	265.14346	1675022	1634030	1524096	1679481	1609401	1086043	1739354	1433556	1197052	1359331	1050189	1010861	1680545	1316316	1128681	1923431	2101371	1801500	1773812	1952212	2026578	1711714	1160414	1410758	1201157	1996690	1793403	1030398	1476803	1352198	1159643	1625402	1890944	1324302	1505706	1489648	1697927	1038607	4293720	1307927	1499763	1186187	106679	42068	40681	1072170	1215934	60429	1678441	1162696	1552162	1468363	1354003	44194	1521557	1366429	1002404	2212977	874251	1256733	1658160	739255	1616297	1271030	939507	1707409	1325402	4196298	1403626	1889722	2186579	1058302	1184080	1221189	1687485	1452456	33681	948210	1579943	1134000	1172525	982019	1803845	1744574	1702006	1024068	1867962	1231458	1378943	3028443	1890371	1608171	2363888	1036448	1526728	68992	1630636	1623796	1106019	2125530	2243809	1640290	1011825	1449302	625592	1612330	1373885	46211	1296918	1334651	Lipid	0.26666668	1.3333334	0.0
12	C14 H20 O3 N2	265.15466	265.15503	-0.05080873	265.15466	100897	116728	105216	124194	36915	46763	102296	141934	36736	68490	48387	77982	15289	15480	78786	195719	147371	52355	76627	109491	86260	150772	82869	161576	91964	31467	92682	40929	143894	132296	127076	160071	189852	153501	91143	141438	190477	85384	178301	107053	144743	60055	621	533	374	108562	136026	662	178744	138222	101723	120452	66813	430	91914	14005	32588	167321	67911	120213	153420	53411	19029	56617	23911	35607	57143	184006	24820	51071	51088	122482	135318	129806	177327	138362	221	90248	68997	84909	73507	82356	93515	70440	16765	26514	83969	83555	71631	201187	158188	126687	217886	71215	117294	550	115256	110839	21556	14336	12161	216266	87104	139170	41916	142859	23553	502	95695	45654	Peptide	0.21428572	1.4285715	0.14285715
4	C14 H20 O3 N2	265.15466	265.15512	0.021152044	265.15466	560952	640483	579922	609331	231680	340339	391427	561072	177640	275897	244534	330696	177159	174299	306809	788417	940508	277506	300700	271349	276945	390261	271935	457914	457332	89458	581567	730821	507626	543136	495492	614249	778537	575430	392974	737120	749176	353972	1143823	169127	194579	321110	2091	539	414	180319	153790	648	770212	493737	586934	429913	271517	1335	246272	79245	146520	731904	38403	76130	655373	99937	200586	176124	131112	281756	243541	1048015	82188	188786	210816	416952	510991	594986	964187	559715	0	323702	359092	3960047	308363	79476	117251	123519	134122	167075	498457	293130	338798	759914	3722084	1030632	600995	635703	317600	1835	550695	606595	220081	115172	113417	730356	295709	259899	82299	550127	158611	854	469186	225429	Peptide	0.21428572	1.4285715	0.14285715
16	C14 H20 O3 N2	265.15466	265.15497	-0.03495529	265.15466	15008	19858	20660	20486	10888	10009	19301	23176	10133	11220	10980	17110	5345	6347	15782	29326	36276	7341	11661	20549	11701	27051	10965	24886	18540	8555	20945	8633	20776	17252	20252	23033	30727	27784	13682	21648	28320	12419	41822	16015	20982	15050	469	558	445	13282	19076	532	27641	17815	19914	17621	13973	643	6341	3471	8398	31869	11478	25361	19108	8204	5967	8295	4420	8618	12495	38107	7014	7585	11323	23417	24833	21650	30669	21794	461	10247	21235	19446	11696	11495	19046	12668	3981	4245	19405	15203	17046	37892	35641	27267	40442	12594	20294	438	14593	21037	8868	2873	5189	28896	13892	14330	6196	27831	7353	391	22735	12206	Peptide	0.21428572	1.4285715	0.14285715
8	C14 H20 O3 N2	265.15466	265.15506	-0.00769835	265.15466	115414	127526	96109	108753	36984	39449	97887	144908	31740	96022	60192	92151	24300	17592	94667	168018	198697	43461	62677	127609	122420	154919	86258	170919	94909	48638	113479	54297	127710	129967	119040	162783	144350	139847	135301	134363	150054	95871	249581	126320	169300	54892	1024	489	428	123101	122866	505	173228	133519	117313	117952	43909	604	47832	12388	35773	143908	52670	115614	137112	76600	23260	30986	36283	40408	49632	237789	43606	65896	75415	146304	140752	124537	157752	136124	276	82488	114802	107483	106831	78426	91603	100861	18227	28460	109041	69294	61311	294211	143924	107842	238395	109730	140137	641	118313	108064	23698	19835	22407	154913	85351	144422	61036	135123	29585	440	119994	37965	Peptide	0.21428572	1.4285715	0.14285715
2	C14 H20 O3 N2	265.15466	265.15515	0.017630678	265.15466	239113	241992	224773	228808	86903	139194	206286	386125	65993	247817	121514	186783	79869	54936	212876	379039	338456	141127	176715	258362	270598	280305	166431	350615	260705	100959	209570	133350	363369	287914	293218	351430	367108	287552	290209	361746	347681	176613	354677	230305	209299	141573	980	509	0	139625	140353	661	401563	303552	215903	233682	114417	623	103208	33316	65598	359823	44809	80087	303141	106683	62440	75875	66799	100210	149908	375238	90589	173274	178243	273577	293880	319485	352096	292179	283	193099	201815	122632	168324	63842	104937	140883	48596	81356	215055	134773	157234	397980	247028	229196	468262	129789	214529	1607	235089	259770	54200	35592	46418	354042	181075	314213	75679	326203	55323	449	215230	85912	Peptide	0.21428572	1.4285715	0.14285715
2	C11 H24 O3 N2 S1	265.15805	265.15854	0.462453	265.15817	0	739	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5057	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21968	0	0	0	0	0	0	0	0	0	0	0	1042	0	2472	0	0	0	1017	0	324	0	0	447	0	0	0	0	0	306	0	Peptide	0.27272728	2.1818182	0.18181819
26	C19 H20 O1	265.1587	265.15903	0.14561577	265.15872	10968	12950	10750	11415	11807	8231	8678	15780	9212	4263	8897	11267	7974	11921	10683	17625	15424	8293	15503	7774	6695	10412	10169	17766	11935	13209	10890	10828	15713	25736	18361	19227	19219	17885	10780	22891	19045	9855	14555	9419	5891	9322	0	0	0	7019	0	0	14334	18406	13886	9954	10170	0	6882	8502	8115	19656	8019	4490	15314	5419	5752	5688	5043	11815	13179	19724	9272	8916	10708	13643	13988	22549	16903	25186	0	11704	11611	6998	10789	6115	6544	6525	7688	8553	17444	13102	8970	19456	9507	12431	21619	6364	7057	0	11677	13231	10976	12402	16571	23435	8780	12104	6735	10191	13062	0	15995	4630	Phytochemical	0.05263158	1.0526316	0.0
20	C19 H20 O1	265.1587	265.15903	0.08640052	265.15872	13236	13202	16412	14068	12678	4713	18934	18767	7859	4475	10243	13096	6498	13001	13241	29835	35828	6118	13047	7837	6748	12559	13179	19932	17472	11815	17413	6358	21807	18522	14440	19510	20592	12895	3445	18915	18746	13160	32478	6815	11817	13465	0	567	0	6474	7747	0	20099	17274	14899	16637	10239	0	8708	8751	9652	21921	7778	14785	14455	5495	3590	7771	8967	8883	9911	34110	10833	5831	12647	11656	16392	17395	33621	24224	0	11131	21079	12025	15362	5357	11963	0	9916	13300	21729	9711	9257	29192	14207	11257	21363	7696	9308	0	13410	14579	11713	17531	15694	20193	12672	15172	4611	18817	7269	0	22445	8368	Phytochemical	0.05263158	1.0526316	0.0
24	C19 H20 O1	265.1587	265.159	0.15111387	265.15872	20717	25245	19581	25265	17643	15277	19412	32096	14261	13900	18050	20552	13759	21374	26422	41254	42098	14498	29251	18805	14212	17833	22137	29306	26060	32033	18894	17210	33885	37830	32425	35013	33744	26531	12661	39330	29304	21346	38356	15463	21708	21233	1776	0	0	18271	16783	0	31654	29182	23751	21558	19553	0	15470	14901	15555	34608	13889	18154	36529	8685	10737	11448	11139	17007	22823	39189	26979	26243	30227	25494	25453	30747	31016	35448	0	22849	29702	15809	23023	13943	14258	16703	17519	18458	31234	19377	22935	46654	17988	18640	38818	16054	21840	0	19919	23334	23059	20033	19263	38019	22415	28499	11438	34504	16657	0	32006	9760	Phytochemical	0.05263158	1.0526316	0.0
22	C19 H20 O1	265.1587	265.15903	0.110351175	265.15872	16993	24824	16437	17768	19797	17233	21445	30827	11948	8510	13930	26313	8934	15524	21360	39087	47061	16285	17223	13542	12532	18882	22520	27810	21446	18531	20429	11955	28626	30131	31299	38438	29376	32216	12102	30871	29544	20817	41595	8923	15238	17155	0	0	0	12726	11018	0	37136	33185	16352	20192	18592	568	11866	13988	16155	31378	15738	16446	35683	5211	12197	10323	10245	14786	19590	43493	18687	18127	25932	23000	29965	28470	33732	38660	483	17367	27896	11482	17161	12073	15174	11156	16721	14118	29884	20841	19203	50291	17937	15645	32853	13613	17464	0	21973	15938	14511	23040	19227	39184	18147	17469	6253	25046	13326	0	29966	9258	Phytochemical	0.05263158	1.0526316	0.0
18	C19 H20 O1	265.1587	265.159	0.04015637	265.1587	7505	9261	7962	6988	8334	4991	18574	11786	4987	0	3115	11758	3406	10095	10220	18560	27841	4271	6335	5793	2982	7571	8618	13070	7823	8476	14100	4598	9609	12349	9924	13632	11416	6828	0	10745	8205	9766	27241	2519	6129	4777	340	0	0	4763	3722	0	13238	11916	12852	15046	6989	0	3872	4148	6693	14839	6252	11072	12241	2718	2046	2686	3633	3243	6440	38573	4088	4599	11563	5984	7115	12841	18333	10746	0	7624	17791	4513	12088	5179	6785	5196	8059	7298	16182	5944	7516	27951	5919	5007	11679	4366	5311	0	10230	8032	5973	12780	9241	12094	8930	7754	2629	9305	6040	0	12803	6139	Phytochemical	0.05263158	1.0526316	0.0
16	C12 H24 O6	265.16455	265.1649	-0.03865884	265.16455	3002	3880	2092	3130	2527	0	2374	0	0	2653	3511	0	13891	1196	0	0	2836	0	0	0	0	2445	0	0	0	0	3218	12315	0	0	0	0	0	0	0	0	0	1967	1658	0	6286	1731	2949	1747	1071	2326	0	1871	0	0	3029	2966	1400	1295	0	0	6901	1946	12269	12875	49339	0	19176	0	9927	116349	16472	0	20156	0	2161	0	0	0	0	0	1272	0	0	22055	0	0	0	0	3160	4791	0	0	0	0	0	2180	0	5428	0	1584	4099	3420	0	0	10933	0	0	4763	9868	0	0	1756	0	0	Lipid	0.5	2.0	0.0
10	C12 H24 O6	265.16455	265.16504	0.14048873	265.1646	2205	1965	2642	2182	1802	0	0	0	0	2848	4291	895	1274	1398	862	0	0	0	0	2276	0	0	921	2103	0	0	1263	8345	0	1373	0	0	0	0	0	1036	0	0	0	3854	2651	1717	2454	2045	2982	7373	5920	2308	1749	0	5753	3091	0	3278	0	878	930	1159	13722	2029	14566	7404	2548	0	1763	1207	0	0	10722	2867	1578	0	0	0	0	0	3103	751	0	10430	0	1131	877	0	1599	1847	0	949	0	0	0	0	0	2612	3621	1351	3439	2408	3040	1060	2042	1467	0	5126	381328	0	786	2114	0	0	Lipid	0.5	2.0	0.0
8	C12 H24 O6	265.16455	265.16504	0.29378375	265.16464	2184	2496	1418	2802	0	0	659	3198	683	6842	4669	0	958	0	0	0	0	0	0	6610	0	3320	0	2389	0	0	1208	15073	0	0	808	1485	0	1223	2600	899	0	0	0	9110	3940	1095	2606	0	0	11116	9087	0	1173	1703	0	3042	0	761	0	0	1827	2237	9045	5244	15009	6456	2887	862	2128	2399	2980	0	15317	9532	8834	1035	0	0	0	0	252	0	0	15455	0	0	951	0	0	0	0	938	0	0	0	0	0	2080	3526	0	1849	1830	3056	0	0	0	0	8811	77648	0	0	0	0	0	Lipid	0.5	2.0	0.0
14	C12 H24 O6	265.16455	265.16492	0.07806961	265.16458	9700	4545	4444	7739	6981	8573	3910	2210	2483	2937	12369	3111	17428	51461	0	0	8208	2170	1925	0	1460	8662	0	0	3265	1416	4570	29701	0	1643	0	0	0	2154	3288	2135	1403	1598	8900	2227	5036	17765	32548	2475	2210	6514	5059	3646	2363	0	6906	12486	6193	6735	7143	1696	10741	4387	15464	15909	29604	7628	10863	7960	68771	258990	369101	10475	26643	3355	3175	1160	0	2318	4431	1433	2210	1918	0	48756	1233	10221	0	965	5580	24090	0	7981	5014	0	7431	6439	0	11273	2935	2917	9307	8314	9855	0	4448	4322	2442	7928	149629	0	4474	3359	1128	2011	Lipid	0.5	2.0	0.0
12	C12 H24 O6	265.16455	265.16495	0.051589068	265.16458	12462	14307	11657	9323	1710	8227	2207	34969	0	8703	5765	0	1239	14457	0	19581	0	0	9686	17274	0	7325	0	8351	0	0	1741	12610	0	33417	7097	15288	0	10163	0	20406	0	0	1908	16217	5948	28384	2514	990	808	65816	7641	1199	25420	16188	11684	11776	0	1883	0	0	748	35576	0	15191	172219	3706	0	0	4603	6202	7315	0	27922	26447	0	9306	12750	25907	3492	26503	694	0	0	25794	0	1404	0	0	0	3080	0	0	15686	4219	29506	0	0	0	28712	598	13697	9813	0	0	1091	1882	0	9452	97219	1752	0	1017	0	0	Lipid	0.5	2.0	0.0
2	C13 H25 N2 S1 Na1	265.1709	265.1712	-0.25335747	265.17084	673	715	1010	696	0	0	0	0	626	387	0	0	0	0	352	0	0	0	1309	0	0	0	0	0	324	0	0	10654	0	0	0	0	525	0	0	0	0	0	509	0	0	0	0	0	0	0	0	0	0	0	1264	627	468	0	0	0	342	606	0	0	0	0	0	278	0	1383	0	0	0	0	0	0	0	0	0	0	0	0	0	36986	0	0	0	0	0	575	0	624	0	0	0	14543	0	3866	0	0	0	0	765	0	0	0	0	0	0	573	0	0	0	0	Organosulfur	0.0	1.9230769	0.15384616
14	C16 H24 O3	265.1798	265.18018	0.047361325	265.17984	40221	35461	40152	44940	33654	21091	79555	41540	17418	20084	20564	28059	22401	39561	29868	57145	62054	20686	24361	24425	20505	40176	24298	29330	31839	35502	75656	25257	36917	44836	42269	51110	41715	29599	20174	44227	32889	27921	74247	14306	24067	21833	6809	3223	3332	19354	16841	4510	45069	32977	41918	38088	24946	3347	23694	25246	23632	68719	11350	23373	50297	9670	27470	13177	26911	22894	30822	73465	13271	17255	33640	21391	33433	42310	61440	44195	2864	23829	38635	40559	26350	20389	88234	80739	34763	20264	54872	24215	28363	164398	50910	41273	62026	17212	26946	4171	45867	37244	25988	41316	43549	32274	26757	26422	0	48400	27925	3301	39591	18001	Lipid	0.1875	1.5	0.0
20	C16 H24 O3	265.1798	265.1801	0.05042679	265.17984	506757	548095	507443	465311	461235	395433	1371147	408622	263276	440469	371169	272076	368794	941483	367007	671922	731662	377074	487979	500112	532188	488104	291201	410584	404667	871694	1530086	447869	560928	441503	321084	461317	510697	393305	399731	488769	504384	298149	647131	297726	431793	440900	61307	13314	11383	309347	418977	16389	458222	337468	516788	521006	395594	26919	317344	359111	305862	677790	236678	363682	568129	213210	477853	254415	446712	499963	638595	702887	417815	540296	669459	305464	391853	479157	684642	473395	12057	239230	377568	676756	252386	275745	1131769	1190987	374656	338760	617612	371385	406962	1185051	880042	755952	843503	358203	421739	25285	494001	563011	343137	377211	446379	606753	248803	406021	299851	532924	370889	15537	419047	332111	Lipid	0.1875	1.5	0.0
8	C16 H24 O3	265.1798	265.1802	0.049141567	265.17984	3553	3440	1398	2812	2034	4220	5951	3454	2592	2602	2943	2662	3499	3416	3459	1392	3963	3197	2473	3761	2047	4038	3192	2907	3009	2729	4125	5353	2746	2988	3036	2180	12362	3973	2914	2730	47477	2901	4850	2591	1844	3800	4207	2201	3161	2283	3236	3763	3290	2907	3110	3503	3834	2633	3513	3433	4557	2877	1748	1322	0	1518	2449	1869	0	3017	1974	4501	0	3748	0	3212	3739	1878	2637	4650	2498	2629	3652	0	3877	4265	4316	2178	1893	0	3794	2533	2177	6684	0	0	3978	3717	3342	3771	3533	4663	3941	5776	5116	16918	5702	3650	0	2861	3232	2220	3656	1701	Lipid	0.1875	1.5	0.0
22	C16 H24 O3	265.1798	265.1801	0.058850013	265.17984	809035	843184	694440	793539	816961	678884	1433127	797180	474112	1016186	801249	379960	522574	1083601	536637	1029668	937482	830226	734939	1237959	1343607	935788	469772	762162	790587	709625	1446082	932920	1029896	734726	634930	863501	874299	828457	855973	894763	897820	511511	893066	443698	525477	649732	109366	31858	30602	631429	707800	33893	804404	643989	829542	736271	690524	69357	568584	529344	434918	1182834	449545	531415	1071114	313016	684269	476895	567494	880923	1001167	888314	387249	542750	598949	597835	711573	874602	765499	819859	33613	374788	595306	979434	357704	608543	1011614	907521	593992	534420	947499	678032	721567	1717339	1681689	1589640	1330359	683953	1001141	64929	686952	844783	531404	573294	583953	1012833	408112	695021	629406	943808	578083	31162	737785	622324	Lipid	0.1875	1.5	0.0
12	C16 H24 O3	265.1798	265.1802	0.06354969	265.17984	19898	24806	19157	24773	8381	7993	23436	19874	9365	8230	10151	9894	5961	13266	12204	35229	24031	6197	8463	10615	6494	23374	8988	22888	16749	7789	32384	0	18825	21013	17841	22751	13346	12210	7017	19808	19676	13913	26777	7100	7071	10632	3711	3794	3752	11954	10726	5033	21703	17645	21016	23841	9633	3223	11118	9242	10718	29011	4509	7546	25629	3927	7154	5031	8113	7537	10088	24507	0	5131	8769	11520	18899	22280	34119	20251	2439	8978	15121	0	10566	10287	22905	15712	13493	12174	20258	7661	10561	48929	21991	16933	31728	6580	20280	3779	17908	17617	8850	15545	18487	20518	13000	12104	0	19360	12692	3130	16989	4631	Lipid	0.1875	1.5	0.0
16	C16 H24 O3	265.1798	265.18015	0.045106363	265.17984	83393	88770	85244	85648	72764	56122	208466	79896	45210	45091	54401	53501	52514	117076	57780	132017	174942	60869	77507	69426	66498	75705	56306	76118	78957	117733	190975	55172	79285	90167	70536	86711	79288	58041	51149	92986	75269	60180	171865	37646	57140	68701	10774	5348	4300	39935	57748	5881	96737	67086	91192	92856	61956	6226	49279	58503	51404	133789	30954	70814	97755	28870	63917	38399	70531	62587	89374	141415	55391	66788	91320	56908	65727	95270	139775	86320	3975	42761	90188	82334	49741	51064	223526	246645	84493	58697	137222	53069	60623	312689	112782	111451	138621	55446	68012	6795	79240	88991	52952	100167	130926	101413	42590	55464	26923	91129	70265	4337	88891	47376	Lipid	0.1875	1.5	0.0
18	C16 H24 O3	265.1798	265.18015	0.039773554	265.17984	263866	245710	230365	221402	172406	162852	530930	234134	105784	147084	159031	138329	153438	303321	161645	357881	433354	163984	220601	206007	187826	231644	170945	227415	201866	325786	559937	192889	242971	243076	213210	234876	243320	228383	130925	254046	218136	153052	427377	119429	186760	186504	21419	5246	6764	123225	151940	7179	248413	177017	247898	240963	178470	10089	137934	151757	144781	378586	94527	163208	285173	91280	183740	101768	195365	199302	269197	450251	167449	180538	272958	147795	167101	244094	402481	252252	5214	109337	221528	301668	154814	127703	489669	542157	173064	173344	296720	167970	179534	745797	398420	334602	444327	148512	209161	10578	241937	218530	144751	207977	256672	274797	123129	175781	82196	274300	134225	6245	218359	110614	Lipid	0.1875	1.5	0.0
10	C15 H24 O2 N2	265.19104	265.19144	0.049723066	265.19107	1971	3824	4508	2938	8153	4200	1611	3636	1750	6354	1349	1161	1373	8184	2197	5573	2192	3326	5954	5280	4850	3986	1678	3902	4474	3747	2447	0	4327	4307	4344	3929	5067	5903	6292	5740	5505	3358	2638	3143	0	2644	0	0	0	3133	1699	0	4475	3682	3198	4198	5689	0	1166	1294	2230	5266	0	0	0	1006	0	1016	2188	2779	5210	7495	0	3827	5024	4218	3726	4532	2275	4656	0	2213	2802	8792	1958	0	0	1911	887	1575	4380	1248	2091	6124	8776	0	6818	18575	23427	0	3452	2181	2394	0	0	2822	1582	0	0	3610	3277	0	2845	0	Peptide	0.13333334	1.6	0.13333334
4	C15 H24 O2 N2	265.19104	265.1915	-0.054817118	265.19104	7334	6117	6616	7478	917	1894	5204	9445	523	8185	4573	4620	949	756	7179	14014	11047	3585	3030	7204	8764	9058	5545	11373	9113	3925	7025	5793	7904	5436	6768	8360	7188	7393	10214	7558	8891	6357	13349	5760	4941	2427	0	0	0	4203	5782	0	11058	7500	7407	5510	2064	0	957	382	1345	11942	0	0	11112	3576	562	1143	1648	1761	2817	16504	2462	3652	4533	6106	6350	7390	11380	7136	0	4976	8710	4641	6619	475	992	5651	571	1473	10369	3607	2409	30950	13076	4318	30158	5547	10492	0	6192	6607	804	0	321	7163	4370	7597	0	12532	1162	0	8731	1193	Peptide	0.13333334	1.6	0.13333334
8	C15 H24 O2 N2	265.19104	265.19147	0.09197593	265.19107	9037	7589	6461	6711	2166	2272	5735	8551	1584	8959	5182	4458	1139	1498	6765	11024	10937	2961	2818	12457	9136	5618	5374	11401	10045	5491	8404	3901	5344	6358	6528	7614	7179	7706	14946	9070	10804	5771	13543	9159	3096	2730	0	0	0	3662	4050	0	9021	7073	5918	9176	2213	0	2311	0	2524	10462	0	0	11310	2900	1664	1431	1555	1500	2704	20495	3706	8289	9179	7477	6557	7091	10958	7504	0	4109	8972	3051	9077	0	0	4268	686	0	8149	4974	5435	29010	10308	0	18713	4827	9934	0	7189	5221	0	623	0	8853	3864	6103	0	9856	0	0	8288	1215	Peptide	0.13333334	1.6	0.13333334
2	C15 H24 O2 N2	265.19104	265.19153	-9.33604E-4	265.19104	11790	9214	9608	8688	2633	0	5373	15434	892	11160	5767	8125	1043	1184	8821	20776	10460	2252	4514	8792	10440	22248	9950	23223	10253	5010	6392	4338	10208	11222	8998	10015	10947	8500	10901	10703	10133	8088	11762	9401	9053	0	0	0	0	6392	8669	0	13823	11211	9491	10125	3027	0	1661	285	1715	16475	441	519	16362	4547	875	1546	0	1798	3634	13923	4251	6037	8254	10626	8422	8350	16477	11089	435	6778	9968	7109	9093	2582	1983	9489	859	1347	10152	2958	4222	71694	14713	5707	82570	7572	11676	0	10776	9837	837	384	439	9738	5604	9500	3182	16105	477	0	9455	1194	Peptide	0.13333334	1.6	0.13333334
6	C15 H24 O2 N2	265.19104	265.1915	0.04272319	265.19107	9978	9473	11020	10978	2212	2978	8025	15130	1380	11277	5450	6270	0	1113	8471	17473	14783	5424	7481	12746	11641	10315	8518	14535	19822	5315	9051	5407	11297	10119	8453	10947	13728	9676	14531	10327	12644	9417	15582	7970	4088	3563	0	0	0	5627	4479	0	13213	11720	11749	9015	3480	0	6884	490	2303	21810	0	0	15890	2379	1629	3158	2668	4182	3710	22796	3505	7701	9615	9196	8246	8796	12634	9202	0	6839	12386	3743	9052	0	489	6654	849	2141	24669	3931	5221	50193	14357	2956	35242	8025	14009	0	9127	10213	1016	0	0	11750	5631	11269	0	18806	770	0	16722	1176	Peptide	0.13333334	1.6	0.13333334
26	C20 H24	265.19507	265.19528	0.12413757	265.1951	4301	6121	5463	5791	2227	0	5801	9564	2599	0	3639	6572	0	2370	11143	14470	18466	0	0	0	0	6415	0	11993	8132	0	5389	4723	6591	10940	7174	8673	7392	5605	2184	15925	6419	10408	20663	0	2140	0	0	0	0	0	0	0	7210	12315	6647	4752	3260	0	0	0	0	18517	2827	3955	14692	0	0	0	0	2360	3907	18705	0	1873	3177	3798	5519	8664	19303	8170	0	5221	12304	0	7835	3108	3662	2815	0	0	14322	2979	3168	23847	7196	4729	25103	3624	0	0	6433	7379	4952	5811	0	13467	5979	0	0	8057	0	0	12672	0	Phytochemical	0.0	1.2	0.0
24	C20 H24	265.19507	265.19537	0.11088629	265.1951	3907	4140	4625	4426	3500	1475	3281	7608	1690	2272	2106	4209	0	3147	6058	16966	21881	0	2463	0	1708	6414	5119	8180	8484	1785	6532	3137	5982	7735	5640	11663	4280	6992	1581	15258	5781	5638	16066	2163	1510	3743	0	0	0	2853	2844	0	5947	10078	2790	5176	2195	0	1537	2615	5152	15941	2192	4215	14044	932	0	1970	3739	0	3865	18830	3227	1969	5750	3291	5181	5783	24958	8081	0	4860	9736	3281	11480	2649	3486	1720	4600	3565	17491	2615	3429	27548	8989	4428	17979	1406	3866	0	5641	8608	2832	3957	4670	8477	4516	3965	1822	8618	3259	0	10404	0	Phytochemical	0.0	1.2	0.0
6	C15 H29 S1 Na1	265.19604	265.1963	-0.18456927	265.19598	1800	1737	1497	2424	0	0	17706	0	0	0	69389	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48056	6766	0	0	0	0	0	0	0	0	0	1355	0	0	0	0	0	0	0	0	0	0	0	0	1512	1614	0	0	0	0	18788	0	0	892	0	0	0	0	93101	0	0	0	45230	0	7672	0	0	0	924	0	0	0	0	0	0	0	0	0	0	0	0	616	0	1884	0	0	0	1095	1524	0	2382	1838	3755	0	0	0	0	0	0	0	0	0	631	0	Organosulfur	0.0	1.9333333	0.0
4	C15 H29 S1 Na1	265.19604	265.19632	-0.256686	265.19598	0	0	0	0	0	0	1168	0	0	0	0	225	0	0	418	0	0	0	0	0	0	0	0	0	357	5853	4267	14378	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	954	0	0	426	0	0	0	0	6394	0	0	0	77088	0	0	0	0	0	0	0	0	0	0	9743	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.9333333	0.0
18	C13 H28 O5	265.20096	265.20157	0.035696704	265.20096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1457	0	0	0	0	0	27771	0	0	5896	5486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1278	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3846154	2.1538463	0.0
22	C17 H28 O2	265.21622	265.21652	0.06536512	265.21622	50628	50143	43521	46141	18970	32092	877916	37012	4628	17123	46122	13002	5736	174295	22422	27073	71882	11062	17748	14758	12914	14235	8441	9621	21345	157007	945525	89815	22755	23568	11107	28742	19326	20227	10695	27309	18138	25894	73554	11402	61165	59984	18183	0	2564	17949	51503	0	26581	100383	49582	43186	17830	7622	3341	50739	73808	31985	7995	75433	47806	18685	36600	3421	180761	40361	72699	66615	35748	31416	70462	41801	14716	45330	48733	28668	3687	6729	19429	202729	9515	66877	308826	555308	13336	21336	42435	48160	31658	74906	106821	74602	25076	26759	31695	5588	39963	55151	69905	16190	43372	25646	13760	34626	27503	16669	19047	0	28560	14964	Lipid	0.11764706	1.6470588	0.0
26	C17 H28 O2	265.21622	265.21655	0.121928975	265.21625	85804	79935	82679	78593	52370	45350	605010	71416	41850	52850	120552	39133	36883	213548	82002	66918	92178	37093	44629	70112	67239	51341	44166	35393	73769	145130	578385	282566	86491	73053	46577	73173	66660	64075	63053	84362	52039	77103	103780	55861	94621	73329	44080	28745	33835	61505	105879	23341	68289	83423	89986	79703	51131	40434	43041	48157	81374	84924	70393	108907	92491	64686	86891	40035	183621	83330	168503	99044	84082	65201	77008	45682	49790	79090	62053	74957	44948	42838	54556	370890	40690	165435	176855	173064	59748	67803	125001	50021	60115	85741	265999	221009	53681	85739	65367	29166	80251	96912	64203	44471	61745	69954	41624	103928	174052	50351	53270	26635	81229	42319	Lipid	0.11764706	1.6470588	0.0
20	C17 H28 O2	265.21622	265.2165	0.15004711	265.21625	6181	7423	7864	5842	5661	12444	78827	4170	0	0	0	1859	4732	34800	1539	5712	8154	2205	7358	0	0	1838	1413	0	3078	12294	71018	4809	2147	3035	1550	3795	3139	3918	0	3669	3052	3229	12610	0	3723	46395	2475	775	745	1478	2200	0	3581	5519	7575	6663	2913	1449	0	1978	12128	5877	0	7872	2828	1379	5181	0	30046	13201	28781	10605	1448	1520	2513	2275	0	6051	8863	3460	557	1277	2214	36582	1724	4083	58155	83884	2709	7212	10470	42331	10393	16378	20079	9181	5003	2289	0	546	5699	9220	2980	9829	35321	4223	2624	2290	0	0	7781	1002	2456	2778	Lipid	0.11764706	1.6470588	0.0
24	C17 H28 O2	265.21622	265.2165	0.080365404	265.21622	116922	125721	111558	110543	47366	87812	1301842	83809	24390	72390	120028	40143	42345	537604	59464	89549	139724	29758	61204	82706	72431	51414	32280	49883	52067	216698	1189004	256936	77495	72097	42610	87800	73437	62079	58998	83750	68614	65592	157106	53664	126325	103821	61667	10194	20816	71511	139338	14844	83787	160464	113230	114813	42596	44513	19517	58172	80548	94689	48307	139431	149232	49489	195678	22018	324514	103442	173769	144695	70666	83914	137010	52246	54546	93264	99865	96410	33213	33976	50274	443642	33501	147724	352978	472317	27029	40067	105027	59651	80473	140810	356193	278159	75100	86476	88177	21469	119661	122316	78431	25799	49018	72719	37743	142684	112441	55205	35399	12429	63805	78136	Lipid	0.11764706	1.6470588	0.0
24	C18 H32 O1	265.2526	265.25284	0.08532986	265.25262	3282	2700	2195	2096	0	2172	76357	0	0	1703	3213	844	0	65728	0	0	0	0	0	0	0	0	0	0	0	9848	87544	7457	0	0	0	0	0	0	0	0	0	1492	2363	1337	3218	1707	2802	0	0	0	2171	0	953	0	2186	2106	0	0	0	3159	2209	0	0	5189	10900	2949	11455	0	57629	0	3012	1421	4260	0	4173	0	0	0	0	1395	0	0	0	10958	0	7133	11106	17273	0	0	0	1084	0	0	5278	3421	0	1462	0	0	2997	4786	6497	0	0	0	763	3293	1924	0	0	0	0	2242	Lipid	0.055555556	1.7777778	0.0
26	C18 H32 O1	265.2526	265.25287	0.07815917	265.25262	7560	8970	10262	9971	4065	6526	120947	6255	4136	5278	15009	8045	0	54153	6806	6048	6709	0	4587	6625	0	5133	7543	0	6613	27427	123132	24439	5140	0	6638	5681	3811	5141	4544	0	3920	10642	8715	6758	11408	6737	11436	10241	13206	6931	14740	10450	5920	6435	10444	9517	6336	11915	0	11994	8182	4499	7267	14251	12390	7907	13125	4605	71334	3441	9645	6349	16548	7382	10582	5043	4374	8230	6570	5635	16876	6643	5986	27449	6827	14769	20922	36442	0	6420	7705	4848	8705	8871	12464	7729	0	9893	7436	8429	8050	9120	13238	4323	0	4612	8668	10962	12182	4485	0	9836	6768	5047	Lipid	0.055555556	1.7777778	0.0
6	C14 H7 O3 N3	266.05603	266.0564	-0.15692988	266.05597	1769	1590	0	997	720	879	1180	971	1608	3746	5001	2133	0	1716	1129	0	779	771	686	0	1462	1081	739	964	791	1365	679	0	0	1037	609	0	0	976	677	0	0	1304	835	2456	1622	618	3798	2962	1764	0	0	3488	0	0	879	1025	1258	1937	624	1334	2735	0	3794	2227	0	6933	976	0	2081	1135	1849	1052	0	0	2185	0	0	1070	0	982	2503	1200	622	0	1841	2790	1201	2591	694	1339	1274	1706	530	0	0	1139	0	2486	0	2488	851	0	2564	1204	881	815	1748	0	26251	804	1075	2987	812	784	Unclassified	0.21428572	0.5	0.21428572
16	C12 H11 O6 N1	266.06592	266.06628	0.16512243	266.06595	29852	29440	24334	20986	39073	42108	17565	22650	36002	7659	9252	21076	68256	25169	20167	33489	24606	69782	60860	5804	7401	34799	30957	31569	20513	0	16282	7648	21416	17180	24243	24046	40948	18559	11525	18657	49731	20465	25499	5834	9150	30357	2450	1414	2323	9900	9205	1586	29748	16729	28904	26091	43268	1632	39700	23565	21731	36160	7285	9893	34233	3670	57658	48894	22555	56373	34835	25844	3198	3186	2001	19935	18997	15662	19238	16993	1116	19301	26816	12135	20780	5431	6651	2227	36735	20237	28174	38847	41598	37353	14796	14035	49832	13673	8966	1674	28089	21872	25624	25258	31036	35343	14639	10163	3857	40303	22090	1298	19851	78885	Phytochemical	0.5	0.9166667	0.083333336
6	C12 H11 O6 N1	266.06592	266.06638	0.180219	266.06595	23244	24880	17305	25128	41290	18857	9020	14360	45250	13367	10573	11423	66307	12702	12658	20071	15187	60344	54021	12710	22060	24971	17176	17802	6484	1863	8245	4158	11604	9892	11795	13327	23163	11774	18725	8952	22559	11947	22606	10048	25055	23476	888	463	747	11447	14473	796	15087	10996	22022	23243	32080	888	54591	39665	18030	20927	8407	12602	16799	12134	84482	49281	14103	54235	24013	19754	5454	6365	10663	10622	9568	7066	8387	9223	435	9878	14721	4412	11877	6592	6251	3169	38872	16231	16384	32239	28528	30196	8912	13569	24228	14000	12833	781	20856	19822	26868	44316	40540	22987	11156	12995	7722	22832	31849	599	8061	113497	Phytochemical	0.5	0.9166667	0.083333336
4	C12 H11 O6 N1	266.06592	266.06644	0.16466619	266.06595	5624	7378	4646	5780	11764	4955	1861	3190	11212	2918	2608	2953	18057	4505	3008	4380	4832	14056	12065	3706	3657	6409	4281	3880	1500	898	2496	0	3622	2407	3168	3303	5958	2902	5571	2951	4216	3240	5730	3179	5389	6089	0	613	876	3142	3812	710	4261	4318	5566	5765	7815	831	15208	13398	5711	5570	2597	2455	4820	1708	21482	14828	6512	15043	5493	4613	2865	0	2860	2492	2761	1997	2407	3468	465	2161	3850	0	3552	2354	2211	1805	13043	5984	3507	8251	8361	7964	1259	2913	7951	1972	3159	1313	5273	6417	9950	16119	14342	4947	4071	3197	0	5214	8247	656	2197	24825	Phytochemical	0.5	0.9166667	0.083333336
18	C12 H11 O6 N1	266.06592	266.06625	0.14257452	266.06595	11441	14124	11558	11626	14357	16298	11120	13888	12904	3902	4850	10914	20157	13257	16412	23548	17093	26337	27248	0	0	19602	19826	23185	11882	0	8978	0	12900	8636	11017	8600	20392	13590	3706	7196	14430	9554	19790	3849	6384	13761	1411	1187	1977	4609	3920	1657	17376	10589	13588	12623	17649	2049	20817	11163	11419	27632	2519	4925	28395	2807	21387	21561	9357	23476	16201	20936	2403	0	0	11822	8785	6334	13075	12188	1428	9548	19150	10876	14694	4947	4670	0	18673	13885	18431	19269	18850	54852	6249	4759	41343	5335	2614	1634	12567	11942	9606	10329	10567	16831	10421	5772	2833	23460	7615	1329	14661	28376	Phytochemical	0.5	0.9166667	0.083333336
0	C12 H11 O6 N1	266.06592	266.06656	0.00712296	266.06592	0	0	7537	0	0	82506	0	0	0	0	0	0	11969	0	1161	0	0	21127	0	0	0	0	1796	0	0	0	0	411	0	4570	0	0	0	0	0	0	0	0	0	0	0	0	0	338	939	0	0	564	0	0	10146	0	0	482	765	1141	0	0	371	0	0	0	0	0	0	31964	0	0	853	0	0	0	0	0	0	0	504	0	0	0	4888	738	0	0	0	0	0	37411	0	0	0	6922	0	0	0	650	0	7132	0	941	3745	4418	6569	0	0	0	0	363	0	0	Phytochemical	0.5	0.9166667	0.083333336
6	C11 H11 O5 N3	266.07715	266.0776	0.20519187	266.0772	7122	7216	5953	6785	10040	4953	3547	5803	10912	3663	1890	5107	11613	4043	5609	9606	8409	13673	14185	3262	3541	11215	7594	10764	3878	0	3710	0	3315	3593	3545	4413	9943	4330	4113	4255	8118	4886	10526	2651	5369	7249	0	0	0	2674	3241	0	6691	5304	6209	7991	9094	0	11563	5406	5954	7951	4925	5562	7941	1848	16809	8734	4348	10739	7611	14365	0	0	0	5553	3293	1492	2866	3261	0	3360	7239	0	5122	832	2349	944	8134	7072	7461	10945	8061	21214	0	5488	19209	3403	3068	0	5586	6120	4496	5508	6717	7953	4091	5008	0	12785	6168	0	4107	18768	Peptide	0.45454547	1.0	0.27272728
8	C11 H11 O5 N3	266.07715	266.0776	0.20861368	266.0772	6584	6069	5188	7516	10366	5765	3363	5340	8259	3132	1864	5130	10328	1965	4330	7527	8223	12206	13775	2019	3357	9157	6324	10134	3588	0	4584	0	5139	3677	5326	2861	7936	4515	5381	3171	8429	5151	10125	3373	5991	8113	0	0	0	3647	2821	0	5236	2916	6653	9481	7582	0	10032	3859	5906	6761	4532	7950	5561	2264	12331	9555	5946	9653	6499	10594	0	0	0	5166	3182	994	3335	2855	0	2660	5969	0	6599	2903	2567	1158	7652	3532	8114	11282	7321	21113	0	6483	18668	4115	2963	0	6721	4654	5862	5909	5764	5985	3778	5738	0	7924	6118	0	4365	18522	Peptide	0.45454547	1.0	0.27272728
12	C16 H11 O3 N1	266.08118	266.08154	0.16075712	266.0812	3242	3521	4654	2050	0	3291	23128	4995	0	0	3763	7020	0	2492	3946	3937	51037	1226	0	0	1253	0	2409	6581	9682	1092	9550	0	9349	3687	10004	7259	29410	13332	0	4755	34512	4784	57474	0	0	8275	0	0	0	1927	0	0	13166	6201	6641	3161	5737	0	0	0	2152	10412	0	0	0	0	0	0	1870	0	5736	53103	0	0	1441	6615	1923	0	1630	2422	0	6081	7788	0	8167	1294	0	0	0	2090	7284	18648	9097	9128	0	0	7091	0	0	0	5146	5007	0	0	0	18017	5328	0	0	16536	1094	0	11252	0	Phytochemical	0.1875	0.6875	0.0625
18	C13 H15 O3 N1 S1	266.08453	266.08493	0.19526091	266.0846	3500	2563	4562	3775	2726	1884	0	0	1014	10475	10681	0	0	0	0	1875	2043	2355	2802	9675	11819	12951	0	3776	0	7199	1368	9266	0	0	0	0	0	0	8659	0	1783	0	2806	18197	33253	2087	0	0	0	5403	9642	0	0	0	4896	3416	1746	0	0	0	0	1725	2681	7642	0	15788	0	0	942	0	1080	1755	5625	6266	7972	0	1765	0	1480	0	0	0	0	13566	0	5887	3109	11811	0	0	1384	0	0	1923	18573	16050	4491	12331	20620	0	2860	2318	2026	0	0	1486	0	5166	7122	2346	0	0	0	1737	Organosulfur	0.23076923	1.1538461	0.07692308
6	C10 H11 O4 N5	266.08838	266.0888	0.22197798	266.08844	39276	36801	37926	39014	44476	145759	2559	105455	4069	5099	863	10856	10017	29211	18574	47004	3799	49537	48567	0	0	31306	16380	86592	14200	0	1499	0	127826	40094	95543	148574	117053	135145	2611	91312	99046	8925	4664	1537	0	31428	0	0	0	14788	0	0	99152	50428	36983	38773	59146	0	1765	2379	5125	76828	0	0	71786	0	35368	0	4252	74869	102609	4387	0	3260	0	77608	85325	80811	1563	57624	0	17760	3585	0	2379	451	0	0	3138	6012	3645	43130	68429	5823	140944	8551	44960	0	0	0	40218	28627	0	1268	2115	80656	17706	0	0	56919	2157	0	4408	22426	Peptide	0.4	1.1	0.5
8	C12 H15 O2 N3 S1	266.09576	266.09613	0.29293102	266.09586	3580	1427	1471	1586	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1533	0	1421	0	0	0	0	0	0	0	0	4963	0	984	0	2566	0	804	0	719	0	0	0	0	2238	0	0	0	0	0	2607	0	0	0	0	0	24408	0	0	0	0	0	0	0	0	1514	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1574	1334	0	0	0	0	0	0	0	0	1162	0	0	0	1337	0	0	0	0	0	0	0	927	Peptide	0.16666667	1.25	0.25
6	C12 H15 O2 N3 S1	266.09576	266.09613	0.07442622	266.0958	0	1199	734	0	0	2039	0	5456	0	0	0	0	0	549	801	16273	0	1019	871	0	0	0	584	12927	3734	534	0	0	2882	797	2709	1749	5462	1715	0	762	7539	463	0	0	1380	1300	0	0	0	1857	0	0	5795	1813	1233	719	472	0	0	0	0	61373	0	0	12465	0	0	0	0	0	18200	0	0	2167	0	1351	0	0	0	620	0	591	643	0	0	0	604	852	0	1248	661	915	3669	2049	0	0	2478	0	0	0	1724	2215	0	0	0	7104	0	0	0	937	0	0	0	0	Peptide	0.16666667	1.25	0.25
10	C17 H15 N1 S1	266.0998	266.10034	0.6055142	266.09995	541174	502957	477945	469331	420881	340077	356581	486341	440393	563211	374730	343537	490476	192709	343843	673158	571759	664460	689878	525535	671786	734019	367305	545311	325004	320192	426782	288809	457970	403703	398548	477072	789513	447862	646090	417277	752704	325032	715612	610345	805302	373612	12567	6163	7659	368418	366697	6621	523342	377845	515084	543941	456740	7869	610446	281392	234646	641181	345448	424415	633541	388542	437089	457130	212399	535911	358743	717821	471704	464719	664670	412157	372570	343976	486002	422093	5093	299982	419059	330260	343547	284032	326194	316303	314878	283012	441079	434383	430175	760498	351047	453318	813764	484799	704990	8554	503670	525254	273276	282022	284171	650538	324673	452434	208907	573880	302593	6937	330284	699692	Organosulfur	0.0	0.88235295	0.05882353
4	C17 H15 N1 S1	266.0998	266.10068	0.6248342	266.09998	182291	205844	181205	186210	182311	104956	97483	164486	181533	148248	122880	157124	248931	68961	87772	190007	377345	258515	253630	162921	229867	217120	127938	150821	50162	77951	117772	71785	134498	162732	148245	161909	253793	170587	204561	198808	258291	98174	430760	157017	245572	179030	6466	4040	5673	120694	170921	5064	177933	158769	188104	152643	184100	4847	225285	161307	113756	172250	79859	146051	187579	116005	251224	209591	82223	229503	133543	359352	145452	113810	193677	137811	175819	209113	280825	173689	3441	109634	107220	63728	98946	86198	74174	67416	165259	107681	104090	206138	191527	192266	70265	92694	214599	108006	130585	11188	162833	206238	139459	186725	189166	294629	145229	135752	94417	176157	157586	5364	70469	325368	Organosulfur	0.0	0.88235295	0.05882353
18	C13 H15 O5 N1	266.1023	266.10263	0.13623737	266.10233	54673	57914	49568	47886	49336	47640	43856	50618	29938	58072	39540	36960	52238	30770	40749	67962	47964	70706	59419	27390	41600	70810	50301	67120	41907	11317	36188	35312	52840	42234	50655	48989	71786	51385	56494	43067	73521	33231	64032	56816	85700	48721	7921	5332	6924	26280	29919	6071	67435	45422	45390	45838	46183	6049	56182	31178	31035	70349	23731	38929	60178	38693	47038	40261	28133	53548	44216	60916	21556	25019	29078	46818	34763	33267	41775	47636	5915	30199	51671	61780	40868	23600	27634	27363	36250	27924	55252	54716	56516	71090	64683	61292	89369	38593	59651	7413	46237	53053	29454	27797	30546	76009	38596	43214	16953	63833	27496	5528	43634	59074	Phytochemical	0.3846154	1.1538461	0.07692308
6	C13 H15 O5 N1	266.1023	266.10275	0.10796581	266.10233	309604	320462	279204	302957	279137	175919	180243	266609	313294	331460	232882	196230	369761	110626	182381	329355	313536	432514	443012	340105	468577	410223	201078	297400	118598	193502	182523	135874	237395	232385	235660	269093	413786	259464	431214	237432	383540	189423	434713	277807	501275	240813	6339	3037	4517	252992	326154	3552	298653	221916	318036	319974	284838	4766	402549	220625	164218	308536	189109	289405	297901	241414	409274	291605	122985	325263	241349	457788	307653	332779	490944	224630	245794	229492	188394	228732	3310	152837	202235	129717	165442	178851	173535	176022	214609	174831	243346	264841	283482	493007	184879	257144	471374	253307	320139	5427	308437	275316	171305	240447	263672	389557	197657	288301	161170	329510	232523	3319	155897	539784	Phytochemical	0.3846154	1.1538461	0.07692308
14	C11 H15 O1 N5 S1	266.107	266.10736	0.10900067	266.10703	39179	36198	29094	41868	2303	31217	73570	48472	6659	0	3742	19887	0	19179	32840	128415	138257	2500	6486	0	0	0	29065	112041	111243	0	85398	0	144397	85968	85878	123301	136899	88272	0	134982	121317	42523	138783	0	0	32364	0	0	0	10070	0	0	163692	41724	35692	34554	17165	449	0	1166	7187	70441	0	0	74062	0	0	2437	18293	0	29276	193355	0	4235	1611	31919	180593	125855	93213	126655	0	16697	40179	0	65254	0	0	0	3051	9988	56219	13763	29123	83172	8915	0	47096	0	0	0	36679	32087	2212	0	0	143329	17818	0	0	108132	0	0	125363	0	Organosulfur	0.09090909	1.3636364	0.45454547
8	C11 H15 O1 N5 S1	266.107	266.1074	0.07704564	266.10703	390333	427026	321717	392932	340843	249462	231385	326713	396804	426919	288307	254948	456361	142290	257327	466182	425039	498924	554262	479792	532516	631361	281712	393099	191633	266654	278005	213476	319578	277893	296002	367337	478614	322708	630239	304744	519572	247347	536032	497889	673196	314156	8201	4148	5832	337586	386659	4533	403286	292910	377981	400798	331645	5657	558454	264481	208370	393964	274752	347134	400416	348200	450839	451736	178882	414655	290874	502806	376363	438843	583121	307192	307595	240927	353704	342991	3504	223639	319910	255945	242948	253336	268021	274647	286712	193861	337433	344029	376371	633914	252765	395925	671112	401367	488104	6194	403599	387777	254474	307612	259417	444918	248613	395305	141578	402339	271659	3792	234147	593641	Organosulfur	0.09090909	1.3636364	0.45454547
0	C12 H15 O4 N3	266.11353	266.11404	-0.043212432	266.11353	8575	6578	7237	8584	10939	0	3336	11718	9543	4080	2864	5953	12083	0	4433	0	6822	18092	13656	5546	11288	12354	7622	10076	5752	2120	0	3685	11219	4432	8076	6938	15198	9169	10769	9145	12525	5674	11168	6465	7179	12753	0	0	0	5436	3861	0	12758	7362	7677	7380	13356	0	9801	7924	5693	13577	3992	4939	4329	3283	15288	10549	6419	12251	14774	11085	2260	3889	2637	8350	9774	6443	0	8947	0	3512	5610	4830	4320	2006	2893	1655	6716	5367	6053	12807	12867	10451	7530	8332	19797	5130	0	0	8707	7812	6025	6022	6569	7549	0	7216	2508	15942	7099	298	6522	26654	Peptide	0.33333334	1.25	0.25
2	C12 H15 O4 N3	266.11353	266.11404	0.11823718	266.11356	38837	36802	30540	33755	37217	32272	23742	33221	43394	22833	22698	31429	43438	14111	32837	13325	53788	50273	49549	22948	42535	53838	35269	32296	15042	5427	7703	18378	35697	25708	36965	28819	50491	30653	40596	32095	40311	28249	56181	34254	51609	36186	289	355	0	20802	28003	0	36589	24576	36866	33605	38005	250	45819	23710	25489	37440	19253	37197	18719	19695	56533	38378	28923	48670	37744	67012	12102	14853	19406	32954	32374	24668	11730	27991	0	23631	32543	47494	23769	18538	18327	15298	32729	27048	30733	53714	40486	166632	38752	40014	78719	35707	11054	786	32923	32631	32103	28225	28207	32722	28330	29606	19111	46592	27453	329	29392	62077	Peptide	0.33333334	1.25	0.25
10	C12 H15 O4 N3	266.11353	266.1139	0.002315298	266.11353	22844	20571	19280	17921	12300	10934	19007	21629	9916	11804	10344	14796	11496	7006	14823	31234	26128	16335	19226	9271	13112	32535	18374	32871	20368	3631	17008	12102	19578	16498	15716	18554	24201	18550	17569	15371	21806	17987	30249	13838	20999	12554	695	0	525	16348	12062	0	23270	16805	18809	19454	13961	392	12028	6378	9134	27830	16124	22323	31108	10737	10406	11821	6860	16356	14119	39107	0	5836	9828	16547	14720	12107	23128	15114	0	12902	21677	21900	17862	12420	16726	7390	10574	10076	27719	18442	15954	50698	44018	46095	52542	21864	15209	0	19692	22057	9893	6613	5805	22848	12568	20631	0	26832	10492	0	22170	15258	Peptide	0.33333334	1.25	0.25
4	C12 H15 O4 N3	266.11353	266.114	0.0314741	266.11356	29232	35950	32081	33052	20021	16487	23759	39598	26582	22858	16526	28700	25127	10067	26407	45580	73389	35945	35552	24423	28327	52935	33024	43483	20933	6815	24293	12710	28319	30062	28541	29789	37714	24662	31000	32584	44131	29452	95512	29828	44535	25720	0	0	312	27214	37627	422	39455	36515	34974	26273	23950	409	31636	19876	19457	38986	27685	48327	44931	24890	30274	24336	21553	24872	21851	63280	11101	11763	16934	29199	30338	24964	25717	31205	0	22516	36980	15482	31334	19767	23629	14528	29614	24222	33512	34382	29520	71821	24621	30475	74870	25077	27486	693	31225	37296	24597	21284	23975	37296	26411	41558	23111	44625	28080	0	27301	34735	Peptide	0.33333334	1.25	0.25
8	C12 H15 O4 N3	266.11353	266.11398	0.07788426	266.11356	41512	42730	34113	34456	20345	18400	31405	39173	20073	23314	16657	32863	17894	10456	33233	62333	60879	28880	33913	21057	23996	53601	35185	62225	33718	4409	40512	19209	33152	29024	34191	45142	46375	39885	30431	29019	53198	32874	70941	26503	38780	29270	577	287	294	24809	23952	0	49172	29602	33343	40150	26842	296	25195	8710	21422	54895	26804	32612	57580	17490	19444	20972	15654	23760	24583	71817	11516	14890	15795	31192	24844	22352	35448	31248	286	26730	45292	55393	35255	19732	26333	12650	17220	17243	49608	36855	32642	114046	61812	77794	106364	28006	31332	393	39452	39906	15813	12684	12285	47404	27868	31239	11989	64467	16792	0	41775	31666	Peptide	0.33333334	1.25	0.25
6	C12 H15 O4 N3	266.11353	266.11398	0.062339578	266.11356	42610	43070	38338	46368	29617	20516	38566	44833	32030	29840	22076	32466	29087	11026	39822	64250	72425	40386	47692	31305	37288	65401	38117	56999	29081	6598	35554	15657	37878	35912	37292	42833	58140	34536	36767	34503	51363	37498	86079	31179	47970	30541	0	0	0	29727	37723	0	46177	34445	41033	46361	27523	398	36017	14858	20662	53727	29894	47627	51136	23206	29558	23892	17656	31444	28396	102875	12098	19203	19800	33432	30137	25217	32082	31825	237	25432	40325	17986	34215	21079	30825	18358	26897	27032	48124	36592	31234	123045	33432	45392	110528	27487	32520	406	42873	39322	18389	16091	17647	52569	31995	44404	17117	53001	26297	0	37383	44449	Peptide	0.33333334	1.25	0.25
12	C12 H15 O4 N3	266.11353	266.1139	-0.05503925	266.11353	6415	13895	11830	9905	5971	5988	8114	15385	4936	5592	3037	6747	4625	2560	10226	13054	18574	7865	11105	4282	5479	18873	12263	13553	12743	2794	7250	0	9429	7901	9683	11012	17527	12318	5502	10661	13290	11175	18515	5125	9689	10124	0	0	375	5389	6315	350	13197	7551	9716	8979	7496	313	4771	2250	5051	14149	8099	7898	0	6972	4767	5373	5219	6750	8695	16226	0	3690	3337	9279	7983	6746	9463	9537	261	8033	12689	0	9133	7115	7898	2268	4877	5540	13969	9112	8877	30571	13841	16042	32211	6912	6134	0	8912	7740	3481	3764	2216	14808	7059	7380	0	18988	4545	0	14456	9861	Peptide	0.33333334	1.25	0.25
12	C10 H19 O7 N1	266.12344	266.12378	0.019289646	266.12344	0	0	0	0	1035	1560	0	0	1646	0	0	1498	1229	936	1292	0	0	5192	0	0	0	0	0	0	2076	0	0	21422	0	0	1356	1411	1818	0	0	0	1687	0	2520	0	0	879	1498	2621	1535	0	0	2893	0	0	0	0	1278	2721	2398	2089	1213	0	0	0	0	0	1234	1159	1009	1744	949	0	0	0	0	0	7027	6251	0	0	1443	2286	0	75156	1184	928	0	0	1800	1484	0	1166	0	0	0	0	0	13185	0	2074	0	0	1772	1774	0	0	0	0	0	0	1793	2751	0	2182	A-Sugar	0.7	1.9	0.1
0	C10 H19 O7 N1	266.12344	266.12396	0.09034261	266.12344	9950	10538	8094	7165	12401	38144	0	36954	3220	1820	0	8164	31817	12229	2266	0	3468	49541	14676	2376	11423	8492	7081	12530	5695	0	0	0	55551	5824	39529	17360	93264	163149	7313	18761	25393	3248	4488	1801	0	17905	0	429	0	5570	0	0	22993	6324	8331	7790	17883	0	8473	1572	0	20178	1250	0	5014	0	26888	6752	1959	30764	35382	3091	0	0	0	122906	101687	19042	0	21837	0	9154	1989	0	1908	0	0	0	1440	0	1749	57215	25947	1989	4852	2569	11546	0	0	435	7574	9277	1045	1353	1562	10641	12844	0	0	22015	1476	0	0	54789	A-Sugar	0.7	1.9	0.1
4	C11 H15 O3 N5	266.12476	266.12518	-0.116697036	266.12473	1783	2181	1939	1743	8976	5259	1563	1255	4099	0	0	951	1744	17239	2170	1550	3187	2970	2758	0	0	860	2738	1454	2321	0	1173	0	0	0	0	0	1865	0	0	0	1464	2639	4090	0	0	1223	0	0	0	0	0	0	0	1756	1326	0	4656	0	2081	3821	0	1374	0	0	1861	0	3585	1460	0	1859	0	5040	0	0	0	839	0	1448	1803	0	0	1129	2939	0	66020	11342	608	0	1987	2273	2221	1812	0	5012	0	0	3316	0	0	0	1701	1952	7633	1033	1768	1814	1449	0	0	1594	2969	0	2078	5381	Peptide	0.27272728	1.3636364	0.45454547
6	C11 H15 O3 N5	266.12476	266.12512	-0.12776817	266.12473	3970	2887	3591	3211	6366	2397	1349	2663	2821	0	1600	21901	5031	8852	6079	2682	2525	3381	4813	0	836	3972	3198	5812	4676	0	2581	0	2489	2766	4508	1567	4325	1448	0	2884	3642	7186	4053	0	0	1615	0	0	0	0	0	0	0	3535	2871	3284	2425	0	3326	1980	1520	3909	0	1064	2815	0	4864	0	2250	4093	1665	3037	0	0	0	1706	987	2339	2301	3561	0	21552	3989	0	3599	0	761	0	2645	2144	4883	3023	2106	8552	0	0	10736	0	0	0	2929	3463	2234	2261	2105	4308	24115	0	0	4617	2790	0	4114	5980	Peptide	0.27272728	1.3636364	0.45454547
12	C11 H15 O3 N5	266.12476	266.12515	0.13575107	266.12482	2701	2397	4552	0	0	4590	0	7760	0	0	0	3716	0	8695	7126	8896	17637	0	0	0	0	0	6949	10843	8066	0	5871	0	7049	8762	9274	9820	13948	8304	0	5095	9812	4672	24044	0	0	2614	0	0	0	1474	0	0	18457	9331	4200	0	965	0	0	0	850	10624	0	0	0	0	3713	0	1137	0	2564	24375	0	0	0	4686	2834	1965	15553	3382	0	5546	7655	0	7573	0	0	0	0	0	5635	4594	3317	13787	0	0	6727	0	0	0	3457	4737	0	0	0	10887	3895	0	0	11222	0	0	5854	0	Peptide	0.27272728	1.3636364	0.45454547
4	C16 H15 O1 N3	266.12878	266.12933	0.01124509	266.12878	1376	1212	959	1220	21558	1922	0	0	0	0	0	0	11465	0	0	0	0	3844	952	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	765	0	0	0	0	0	0	0	0	1272	900	16621	0	0	0	1786	0	0	0	0	0	1964	0	3123	30845	51037	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2233	0	48805	1060	0	0	0	0	0	0	0	1305	1029	0	0	807	0	0	0	0	0	511	0	0	0	Unclassified	0.0625	0.9375	0.1875
20	C14 H19 O4 N1	266.13867	266.139	0.1276444	266.13873	30164	28647	29367	20964	54084	37032	23961	35804	26054	17743	17162	20930	33663	44287	24668	37285	38943	28697	32597	16506	13534	24138	19090	34398	30557	5405	19608	16688	45538	35190	29115	36608	73509	45187	21112	39852	76748	19122	38598	15139	28017	38826	5950	6158	5181	17644	20835	6606	32008	29424	26349	27650	38961	4971	17655	16734	25755	41949	18775	23755	38196	9435	20846	15983	17227	33056	39507	44204	6357	5973	6780	30865	33889	34915	27569	35428	5038	22447	17892	19899	13185	11633	22094	10250	22453	23625	29036	30838	35427	31588	35319	33052	31495	15269	17461	6583	24676	27950	95772	15267	23376	89011	22675	30798	13101	38566	42220	5851	24580	30162	Lipid	0.2857143	1.3571428	0.071428575
18	C14 H19 O4 N1	266.13867	266.13904	0.12019406	266.1387	214371	205206	204238	203641	1580415	936702	110226	79595	1143913	72979	54899	60815	687214	60549	59282	99207	228688	437120	435521	101217	89076	76780	55477	77758	52504	26462	110320	62465	150037	111346	87262	123436	344665	138064	78324	128144	350087	52277	227711	65199	80747	380972	19023	3791	4792	53613	51893	4498	148903	70989	219843	212066	950239	4465	232416	127833	364768	120129	60563	89346	88432	46290	674605	220899	95047	720888	266116	203790	25971	32743	51128	79265	99097	83810	160770	123666	4133	52814	66697	69641	47964	45386	66454	42081	400672	128463	60549	163011	184885	93107	88972	98228	99992	53573	70759	5040	232165	188933	326919	137933	163918	386553	53226	120879	26952	79645	364482	4639	59556	2202624	Lipid	0.2857143	1.3571428	0.071428575
12	C14 H19 O4 N1	266.13867	266.13907	0.048428044	266.1387	414534	488144	442433	467660	182923	159084	272218	299200	161661	713050	371731	169185	145068	104292	181243	555148	373549	277753	302924	1013105	831004	770995	185828	409427	204357	488695	307816	304220	327302	337039	280612	455562	418041	376109	651812	360330	523110	184598	477992	741918	820983	213324	7214	4215	4947	407361	499295	4649	474039	332904	465697	479442	204904	4483	231390	95484	131426	449045	258741	343491	404177	382969	158232	165313	89246	217587	186247	399332	372212	632683	601924	285452	312831	317212	477352	383994	3061	193591	203253	318082	169003	313837	341309	439462	120522	124705	245685	234919	229330	506385	673432	710237	546132	383414	948607	5840	462057	466176	136257	99188	106476	509124	191033	509228	171223	352865	159444	3864	218784	228827	Lipid	0.2857143	1.3571428	0.071428575
14	C14 H19 O4 N1	266.13867	266.13904	0.07978967	266.1387	411743	387310	408026	421835	208361	195733	309948	276701	156300	595409	354349	232232	169150	119771	186360	364863	368828	268041	267019	671399	639375	615521	170559	300192	206015	333048	305259	282823	268147	281373	297521	424962	397757	411962	591502	303185	522754	164641	441229	712428	704490	199319	6795	3975	3414	314958	389717	4956	467010	255288	405090	355811	240480	5113	185463	104292	148020	462244	263888	374873	319746	307967	156931	168364	105418	226518	202308	444543	252683	431744	517771	318119	323024	274579	319361	339448	3161	200719	204011	324587	162573	242348	411768	509208	118357	125965	238267	302903	280487	525861	593275	633011	468923	402486	671570	5420	426528	334597	121154	116645	111627	409713	220404	467630	162061	408081	145450	3757	252983	208101	Lipid	0.2857143	1.3571428	0.071428575
10	C14 H19 O4 N1	266.13867	266.13907	0.043805916	266.1387	313741	268539	258853	247157	159060	154261	212912	301020	135288	372890	202798	179644	172095	96695	187965	385950	315384	226811	249751	474086	506116	421840	182178	333051	189441	387288	272053	190994	304641	256125	240510	292080	405821	291411	434791	286328	382033	172433	392314	430817	484296	164442	7509	3950	4314	279777	292296	4576	328934	238374	277970	299185	171747	5040	170384	87562	88451	387054	197424	306920	351319	248264	131518	136402	81873	189914	167003	374312	311421	418997	426502	255442	255408	231883	322562	266758	3987	160020	186945	212597	167935	215241	236888	259368	115413	115488	228758	191337	186998	391125	278972	332957	411936	284892	517108	5086	276543	305468	109088	110301	119545	352853	174174	346711	121481	303072	144046	4498	213702	203309	Lipid	0.2857143	1.3571428	0.071428575
18	C15 H15 N5	266.14	266.14032	0.28272644	266.1401	0	0	0	0	35122	1896	1135	0	4179	0	0	0	0	0	0	0	0	0	11634	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2586	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6219	Unclassified	0.0	1.0	0.33333334
2	C13 H19 O3 N3	266.14993	266.1504	-0.048191506	266.1499	63475	66070	59024	56167	26853	33365	42611	68082	29278	70064	36393	42661	28251	14616	48104	48992	88679	44917	55660	76143	104359	90737	53282	74690	43125	39388	26516	35565	67857	48530	60494	60708	83979	58285	92502	58682	72211	44454	100453	97825	93365	42243	327	0	0	43837	58263	0	70067	48650	56395	63797	35933	0	34826	12048	24021	76895	22529	39263	47036	46173	29434	29183	20181	36681	47736	111127	36047	74604	76274	57882	60785	48362	53118	54919	0	40383	51039	47796	45162	27030	31506	50465	19510	26249	58497	47890	48799	135303	73076	87768	146802	44275	46458	0	62629	60009	18072	13458	16044	61639	41759	84092	33392	74865	18649	0	59124	39561	Peptide	0.23076923	1.4615384	0.23076923
10	C13 H19 O3 N3	266.14993	266.15027	-0.032696255	266.1499	20249	17070	17075	19358	7947	4612	12018	38083	5588	4688	4249	14248	3666	0	17194	35475	25482	5291	7347	6997	6904	33570	14780	32541	14147	2805	15720	5461	23815	31808	26829	29062	19281	24420	9610	22151	21818	19177	29724	8712	9567	9496	0	0	0	14539	11217	0	33658	41890	17776	18362	7920	0	6351	2480	4851	29163	5499	13481	28368	4849	3306	4913	4738	4731	8875	29126	0	5328	4067	35951	22947	21755	21025	22590	0	15856	18877	10685	16947	8895	8306	6636	5039	3946	21335	13237	8896	91226	22353	15564	58505	10244	16785	0	15915	16631	4309	4852	6213	21512	16565	12462	0	35006	4253	0	20360	7733	Peptide	0.23076923	1.4615384	0.23076923
12	C13 H19 O3 N3	266.14993	266.15024	-0.09990988	266.1499	3634	4157	6388	5884	2709	2382	4870	4136	1633	0	2732	4034	1109	2238	4285	10358	8187	3719	3074	2972	3626	9114	7192	10113	6450	1229	6615	0	8202	4402	6336	5900	7432	6873	3354	4114	8472	5272	11509	3830	8374	3362	0	0	0	3683	4515	0	8983	7793	7568	5968	4054	0	1479	1451	2477	9529	0	8857	0	0	1141	1947	3076	1979	3179	14113	0	1540	2030	2897	6386	4355	9351	6618	254	4873	5895	0	6901	3988	4775	3746	1339	1991	8204	3625	5815	21007	31542	13549	18599	3382	4484	0	6320	5845	1419	2091	2015	6367	3790	5757	0	9506	1645	0	5696	0	Peptide	0.23076923	1.4615384	0.23076923
8	C13 H19 O3 N3	266.14993	266.1503	-0.007160236	266.1499	22096	24767	19613	21744	6319	7091	20401	30506	6335	13974	9387	20207	5517	2020	20145	35353	35677	11492	13668	20142	19570	31026	18927	47176	23579	7587	24675	9722	25293	21004	21238	27629	24846	22376	22767	25475	24313	18245	46638	22653	28494	10323	0	0	0	22568	36434	0	36321	23052	24077	21327	11266	0	7069	2324	8299	36122	10850	24190	32759	11446	4230	6156	6342	9312	8507	37963	5579	10206	11272	26395	23636	19987	27586	24052	0	15739	26899	17107	21381	16178	17587	20856	5458	6744	27383	14851	15022	69190	33562	15436	75485	17792	24285	0	22735	22540	5252	4364	3855	23476	18341	27887	8975	31295	4590	0	28616	11606	Peptide	0.23076923	1.4615384	0.23076923
14	C18 H19 O1 N1	266.15393	266.15427	-0.07469265	266.15393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56777	0	0	0	67531	2006	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1660	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	75596	0	0	0	2184	0	0	0	0	Phytochemical	0.055555556	1.0555556	0.055555556
16	C11 H23 O6 N1	266.15982	266.16006	0.042560626	266.15982	0	0	0	0	0	0	0	0	10789	0	0	0	0	1588	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	272	5181	0	4452	0	0	0	0	0	0	0	10325	0	2349	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3856	0	0	0	0	0	0	0	0	0	0	0	0	58174	0	0	0	0	0	0	0	3274	0	0	0	Lipid	0.54545456	2.090909	0.09090909
6	C11 H23 O6 N1	266.15982	266.1604	0.31579816	266.1599	1639	895	665	0	0	0	0	769	0	0	2086	0	862	3571	0	0	0	0	0	0	0	659	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	814	0	0	0	0	0	0	0	0	0	1039	0	0	0	0	428	0	3726	0	0	0	0	0	0	0	1392	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1468	0	1720	0	781	0	0	0	0	0	0	0	126344	0	0	0	0	0	Lipid	0.54545456	2.090909	0.09090909
10	C11 H23 O6 N1	266.15982	266.1604	-0.024198769	266.15982	0	0	900	0	0	0	0	0	920	0	0	0	0	0	0	0	0	0	0	0	1861	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1236	0	0	590	894	0	0	0	0	0	0	0	0	1690	0	0	1435	0	2667	0	0	1309	0	0	34784	1470	1106	0	0	0	0	0	0	0	0	0	729	0	0	0	0	0	0	0	2520	17086	0	0	0	0	0	0	0	0	0	597	0	0	0	0	820	0	0	0	92223	0	0	0	0	0	Lipid	0.54545456	2.090909	0.09090909
0	C11 H23 O6 N1	266.15982	266.16037	0.06832947	266.15982	28081	21053	24913	20571	19780	434074	12045	206793	71306	3940	6482	39293	10635	35716	600416	46428	0	27976	11827	0	4309	5293	28980	6704	191114	10486	25624	0	55179	13744	116501	9956	104408	13764	4195	7713	29562	368705	0	0	0	425411	0	690	0	9796	0	1636	14589	10716	23008	21756	34004	0	44007	30704	36074	20656	1379	1494	8851	0	15778	13751	19466	26726	39607	0	57962	5501	1925	24104	37911	16431	0	7850	0	270852	11769	0	3473	0	0	0	10509	9332	30341	6705	0	3850	0	0	17569	8842	2143	0	29291	29961	78869	3360	6361	20265	212931	0	1332	32396	26332	0	21183	13041	Lipid	0.54545456	2.090909	0.09090909
4	C12 H19 O2 N5	266.16116	266.16153	-0.14037666	266.1611	3518	4273	3191	2972	0	0	1067	3910	0	1955	0	960	0	0	1582	2316	1555	656	858	1846	1388	749	1870	1707	663	0	0	0	133090	0	20857	10245	3970	7851	1874	12063	8691	791	1561	1423	0	0	0	0	0	0	0	0	70247	2584	2996	2211	0	0	0	0	0	1833	0	0	2063	0	0	0	0	0	0	1804	0	0	0	2153	5175	2224	2259	11431	0	4488	1163	0	0	0	345	0	0	0	1153	0	0	3346	0	0	2944	0	0	0	2755	3560	0	0	0	2780	926	3799	0	10583	0	0	1183	0	Peptide	0.16666667	1.5833334	0.41666666
6	C9 H20 O1 N7 Na1	266.16998	266.17038	0.5631586	266.17014	0	0	0	672	0	2015	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6100	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5019	0	0	0	0	0	0	0	0	0	0	27048	2111	0	981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.11111111	2.2222223	0.7777778
18	C15 H23 O3 N1	266.17508	266.17538	0.0910864	266.17508	52583	51411	51874	42174	42266	32241	47760	55301	20457	68462	55260	45894	35390	36031	31594	85956	97516	31752	45470	89494	94553	59183	32538	58450	39011	69873	43823	51604	49189	58534	45807	61839	69335	58700	64420	73137	61400	33858	80159	48858	73354	32992	2620	797	1149	52150	80005	1369	61051	51222	54162	51432	34575	2196	26359	31816	21102	67681	24567	61487	73161	33717	22245	23047	21264	45227	45819	96914	66158	60773	79658	48387	46482	56846	89606	50112	739	39262	32785	72835	27087	45541	37630	41972	31517	32568	48911	45204	32608	124093	84867	88810	83296	61590	85447	1338	53293	59237	27046	36056	46426	75579	33688	55562	32966	54750	34129	1079	48157	21928	Lipid	0.2	1.5333333	0.06666667
14	C15 H23 O3 N1	266.17508	266.1754	0.04982126	266.17508	32534	30703	33850	37570	16289	11346	25443	23434	8779	39067	27904	20522	6411	9878	11597	40061	39573	12217	14826	39566	52480	44340	11493	50279	16462	47121	27825	22783	23927	21864	21246	28501	29348	27306	39166	31520	29274	14183	43250	39016	62058	13543	0	1181	810	38874	58917	916	35411	23530	32557	27561	16155	1503	3974	6945	8125	41904	9691	36795	23902	22278	11214	6917	9434	14596	11630	44539	31195	45822	62695	23770	33263	22199	31241	28348	781	14575	22757	38000	14852	22720	28913	32570	13186	11876	35174	19510	18032	99836	59314	60681	53163	39370	65529	952	35740	28156	9662	7000	10779	24172	18378	33188	0	43061	11304	898	27724	14348	Lipid	0.2	1.5333333	0.06666667
12	C15 H23 O3 N1	266.17508	266.17545	0.0565204	266.17508	29068	27776	27666	30586	14983	7839	13937	22347	8869	36162	21416	11007	10410	8440	14043	46492	25882	10873	20563	49379	44190	43759	15496	53829	15865	37912	22578	14186	18553	22626	18679	26420	25297	21345	33404	23288	23926	16661	33837	36982	46797	11824	1087	940	889	34504	38541	741	32117	18987	37560	30627	9523	1133	9564	6261	7861	43188	6378	16416	25215	17538	14299	9330	5985	16380	11114	36783	21668	40330	57057	21185	22460	18210	34926	24895	868	10591	20696	20318	13700	15040	14858	26793	9649	8032	29662	14925	12812	89038	51830	42704	55184	25214	54540	634	36509	30015	9292	8523	10381	31112	12041	27360	0	27601	11268	703	25455	13484	Lipid	0.2	1.5333333	0.06666667
16	C15 H23 O3 N1	266.17508	266.1754	0.078411266	266.17508	43901	45285	43638	45643	26775	17455	31304	39060	13385	55063	39389	28440	21495	20795	20840	56694	61395	31804	31163	79690	91907	55638	23410	44435	28627	98498	34977	36635	35309	40097	32020	43723	41424	47193	52674	49050	41325	18908	60505	51891	65071	26440	2060	792	940	43446	79705	1194	46173	49409	43968	38049	23465	1717	8761	12988	10998	52902	19181	51174	51045	29968	16453	12664	11741	22780	25025	63498	75686	70962	101376	39837	41835	42281	62986	42433	1002	21976	25349	56605	17832	35058	32992	43117	18546	12526	32798	27974	28039	95096	63073	57819	59703	50152	74399	1046	43419	44855	14165	14976	29121	49048	19175	39621	22719	45787	19159	1027	34411	17430	Lipid	0.2	1.5333333	0.06666667
8	C15 H23 O3 N1	266.17508	266.17548	0.07161924	266.17508	56934	60903	50413	55906	29062	21309	26594	66092	16745	85582	47205	38827	25969	16990	30410	70382	55462	29485	38760	88059	99722	79479	27819	77156	32774	84004	39513	38468	52733	54271	61491	68790	54872	61081	112806	62787	63368	31924	67803	73412	67028	22481	1379	674	658	45778	51677	650	69575	58158	50857	59843	23241	801	24340	11197	11705	67304	2744	17425	70319	32927	20625	17409	12799	28181	25030	74120	61121	96324	125641	63564	67723	67334	51447	62163	579	36231	40253	45686	28279	13478	10129	57216	14217	11219	43642	23694	25779	139315	71795	35072	124388	57370	76604	690	56229	53749	17745	16974	15633	47557	34260	52004	17491	55148	16144	633	36369	30436	Lipid	0.2	1.5333333	0.06666667
20	C15 H23 O3 N1	266.17508	266.17538	0.14036492	266.1751	79580	103823	95550	89616	399847	123147	79417	119175	31139	118306	85913	81851	38547	49136	74191	134122	127040	256150	133075	145632	156250	89729	62918	152229	70333	33369	78111	95102	135417	115681	93958	130413	163986	137288	136324	143947	153072	53746	131228	65672	83184	81722	5999	1062	1201	77689	96080	2198	115925	120425	96193	89328	217328	2714	40457	21380	39600	125017	55666	92001	104696	41800	48394	38792	38001	51676	71165	116224	20106	28005	40186	107298	132818	141400	142551	122830	1225	82500	42416	93522	38597	49616	74343	54773	97307	45257	61619	99352	81206	117468	168975	143480	92379	80612	92430	1649	94123	106201	49647	31155	57421	174603	69072	124642	49663	107090	160496	2614	72050	48844	Lipid	0.2	1.5333333	0.06666667
26	C15 H23 O3 N1	266.17508	266.1752	0.26251143	266.17514	2450	2757	1895	2281	0	0	2515	0	0	0	0	0	0	0	6268	0	0	0	0	0	0	2011	35586	28126	10967	0	2992	0	0	0	0	0	0	0	0	0	1973	5650	3115	0	0	0	0	0	0	0	0	0	0	0	3303	2752	0	0	0	0	0	4461	0	0	4565	0	0	0	0	0	0	3778	0	0	0	0	0	0	0	2792	0	0	13376	0	39981	4441	0	0	0	0	2503	3797	0	1748	7475	2696	0	0	0	0	2583	0	0	0	0	0	2684	0	0	1994	0	0	25447	0	Lipid	0.2	1.5333333	0.06666667
24	C15 H23 O3 N1	266.17508	266.17535	0.155168	266.1751	5003	4961	5139	4425	4752	4605	12053	10167	1409	1724	3334	3288	3778	7852	6092	17595	21901	5649	5302	5728	4567	3327	34485	20266	10509	0	9014	6191	7192	2803	6650	12183	14860	13250	2204	9665	13888	5920	23925	1114	2407	4505	1880	0	0	4035	1606	0	11461	7006	6895	4537	4962	0	1154	2053	2833	16005	2744	4195	15032	876	1312	0	2372	7968	7078	20055	0	0	0	8449	4898	6701	7286	5307	0	5477	6650	6228	26794	5774	3408	1271	2852	6981	4399	94856	5926	5386	12864	5661	10274	1739	1697	0	6314	5722	2862	2520	3491	11246	5549	3166	2853	11129	2456	0	21072	2110	Lipid	0.2	1.5333333	0.06666667
22	C15 H23 O3 N1	266.17508	266.1754	0.13900673	266.1751	30090	26705	25344	31179	31758	25353	21312	30427	11164	42775	44239	21084	15898	24574	19130	44487	35072	27200	22889	64669	55702	40366	29910	42180	33545	4431	20692	48512	31275	30556	28650	33999	43454	34319	45049	32734	42318	17261	31899	21357	24337	24836	2913	0	1619	33699	41213	0	33022	24829	30506	25738	26103	2743	14630	13462	11353	47556	24861	29499	43538	15797	10172	11696	14078	23225	25393	26718	5562	5680	7690	24766	50858	53694	22861	25576	1297	15715	21116	36469	24160	23363	25048	12030	19612	16589	38282	31119	26236	51853	71764	65141	41951	42316	67264	0	26639	32125	16227	20259	22908	50269	18544	37435	25143	37426	18270	0	35113	14620	Lipid	0.2	1.5333333	0.06666667
6	C15 H23 O3 N1	266.17508	266.1755	0.041106205	266.17508	226979	243451	205185	224069	52616	53362	195325	129580	38549	165870	72747	90869	62981	61316	82565	203726	70240	93996	116669	159903	168707	481645	138271	320271	132969	98209	175177	62881	103918	115410	135181	157327	201993	130931	220971	99955	181206	128457	114792	116572	98794	73486	1240	638	563	195905	120851	0	185150	92344	245741	228306	73786	909	54683	30012	65751	349277	9522	18400	316484	63330	63991	39721	47528	78760	91238	128584	77841	188860	183356	129872	126850	112473	128512	122350	497	97828	257153	75228	148837	65003	70207	109326	29019	34650	541431	104005	115524	2211718	255935	144484	595699	133247	193783	929	237149	159606	30998	29280	36399	185989	117071	104785	68562	368516	30444	453	305222	68698	Lipid	0.2	1.5333333	0.06666667
10	C15 H23 O3 N1	266.17508	266.17545	0.06380198	266.17508	41362	36079	34724	35820	17617	24693	78793	27878	13706	40300	23345	25906	16687	25704	19659	42591	52621	20756	34176	52435	52994	45759	25431	35377	15161	43133	114461	22371	27673	27408	23578	35572	57213	26010	50648	26917	57418	17595	88505	33682	36266	44145	845	858	1142	23913	28460	852	34543	23966	33147	36508	23597	687	13169	8613	38543	43134	4385	19203	37133	16460	14595	12206	18115	21597	46802	82502	35430	52911	72574	26287	24487	23239	34090	29349	916	19475	22965	21090	15992	11279	8039	24597	14057	41871	24098	14923	29744	62196	49771	23077	52259	25074	51675	672	31835	33476	11555	12877	12532	58297	22957	28822	0	29331	11107	589	18071	18984	Lipid	0.2	1.5333333	0.06666667
6	C12 H27 O3 N1 S1	266.17844	266.17905	0.6754202	266.17862	0	0	0	0	0	2748	0	0	0	0	1441	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9378	0	0	0	0	0	0	0	0	0	0	0	0	0	503	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5850	0	0	0	0	0	0	0	0	0	0	25224	926	0	2207	0	0	0	0	0	0	0	0	684	0	0	0	0	0	0	0	Organosulfur	0.25	2.25	0.083333336
22	C16 H27 O2 N1	266.21146	266.2118	0.12818985	266.2115	8877	4576	6736	8570	3760	16454	1481	4610	0	21939	7729	970	2449	0	0	11783	5620	4654	2038	6700	12243	9360	0	3105	1582	13512	4860	10935	4202	13895	3481	7344	22257	4378	5229	9345	3254	0	7370	11809	18666	17049	2790	0	308	26772	40629	0	36663	35156	7064	6833	1290	6605	0	0	1301	6018	2821	40199	5053	3895	10931	0	1517	17168	2189	9768	7233	6329	17961	4794	3303	5376	6927	18407	8993	0	1989	20481	1501	10685	6322	8058	2183	2509	4800	12156	1868	12656	38181	25362	13487	9868	45066	0	7774	8684	0	0	2264	2383	1390	4375	9724	2499	1335	0	3085	39334	Lipid	0.125	1.6875	0.0625
6	C16 H27 O2 N1	266.21146	266.21188	0.0177416	266.21146	22226	23013	21322	19910	9201	6715	15479	41183	3326	36870	12845	19237	3644	4647	19490	43861	21470	8620	15647	34261	30761	19532	17042	35423	29813	11099	21782	12902	28507	27194	29758	34388	36544	31352	30989	30383	35065	16532	25315	17885	4246	11252	0	0	0	12119	12062	0	43212	33507	23330	21606	10375	0	5555	884	3479	53003	0	0	45932	7525	2386	0	8056	6813	14146	32491	5769	12844	14666	29532	28580	35494	28330	25014	0	20654	15077	12856	9711	527	1176	14889	794	3324	21518	15309	25142	59911	47004	2383	111489	13282	33901	0	23056	21583	2048	1405	1793	32221	17886	18491	0	45933	1465	0	16216	3854	Lipid	0.125	1.6875	0.0625
20	C16 H27 O2 N1	266.21146	266.2118	0.22779548	266.21152	7101	5362	9202	8951	2845	40082	1424	6507	0	40171	2008	0	5187	8517	0	12880	6437	7156	0	4417	8282	4932	0	1864	0	7576	1856	1560	3370	21125	5388	20022	43308	3430	9561	11469	4666	1151	1803	12000	14892	43515	912	0	0	31912	45609	0	97086	69181	10078	8701	0	8672	0	0	0	5925	0	146968	4742	0	11286	0	0	23246	2540	19956	6083	6629	24864	3820	1102	3833	9915	28919	328	1319	0	1568	0	1941	1394	0	0	0	0	17617	1675	13263	47373	2316	14718	0	70578	587	9132	9695	0	0	0	0	0	1336	1896	1540	0	0	0	65448	Lipid	0.125	1.6875	0.0625
14	C16 H27 O2 N1	266.21146	266.2118	0.135381	266.2115	3348	3647	4303	1869	1673	1869	0	1942	0	4249	3692	0	0	0	2355	3502	3011	1548	0	7709	6418	0	0	0	0	5783	1466	0	3124	2062	2281	0	50359	2058	11268	0	45131	0	4561	5905	0	0	0	0	0	0	0	0	3051	1621	1880	4404	0	218	0	0	0	3255	0	0	0	0	0	0	0	0	0	6471	0	5797	7773	1429	1535	2264	1604	2690	0	0	0	0	0	0	0	2830	0	0	0	0	1170	10162	11687	0	4823	0	5165	0	2024	2073	0	0	0	54692	2131	0	0	1588	0	0	1956	0	Lipid	0.125	1.6875	0.0625
2	C16 H27 O2 N1	266.21146	266.2119	-0.05875996	266.21143	15113	14965	13793	14781	1437	0	12362	29108	370	13612	5800	13835	0	891	12638	46469	18942	1503	3138	15163	12806	27147	11573	37782	21193	2515	14543	5160	22040	25698	21326	27143	19948	21938	13647	26845	20388	12836	21139	18519	12577	4489	0	0	0	9282	8029	0	32138	28140	14163	16258	1990	0	689	0	1646	33337	0	597	37251	7026	0	762	0	1744	5683	22511	2077	3961	3144	22656	23812	30719	31236	24430	0	12798	21343	13242	12267	1550	3232	12615	293	1867	29643	3757	5222	59318	37404	9845	51967	13273	46421	0	15543	16384	0	0	0	19550	10391	29622	3524	24183	469	0	20771	0	Lipid	0.125	1.6875	0.0625
24	C16 H27 O2 N1	266.21146	266.21176	0.11339941	266.2115	1330	3892	3234	3184	2697	5502	1449	2490	0	9828	4010	0	1636	4329	0	5360	5753	1682	1933	2458	5638	4997	0	2792	1539	6717	0	4995	4715	3587	1566	4283	7142	2477	1834	3316	0	0	2642	2832	2702	6874	1872	0	0	11758	22604	0	13474	17885	1209	4579	0	0	0	0	760	6251	990	18346	4272	979	1962	0	0	6177	2150	7472	2101	4031	4542	1840	1662	2256	2763	9190	0	990	0	8073	0	7511	1210	4029	0	0	3708	5923	1425	20966	10234	4314	12551	2715	9246	0	2080	4344	0	0	0	1391	899	1425	8050	4002	0	0	2171	12693	Lipid	0.125	1.6875	0.0625
4	C16 H27 O2 N1	266.21146	266.2119	-0.003759881	266.21146	10906	11819	12841	11897	1582	1596	16529	24972	889	13213	5986	10598	1195	2359	11012	25218	15839	2915	4823	14141	14721	9388	7225	19684	11944	4742	23975	4553	16222	13408	15844	21379	19347	17257	15614	22409	18096	9146	17834	10252	4046	3483	0	0	0	6308	6672	0	23328	22120	12623	9645	2969	0	1556	535	1769	21275	0	0	19027	5315	1057	1067	1705	3701	4606	20555	2253	4398	4793	15161	16759	21666	21906	15359	0	10122	11375	7131	9729	563	738	8820	568	2219	11372	4929	5138	32366	22066	1901	31039	9770	19208	0	11667	12628	664	0	549	15318	7589	13176	0	15437	674	0	10890	1093	Lipid	0.125	1.6875	0.0625
12	C16 H27 O2 N1	266.21146	266.21182	0.06433692	266.2115	5109	6954	7856	4926	2333	2489	2463	5738	3966	15230	5478	3232	0	3668	2995	9367	4771	3694	1950	16960	12913	5342	4128	6919	5561	9444	4218	0	7098	6531	7766	10171	21814	7668	14332	8329	11594	4624	4524	10947	0	2370	0	0	0	5509	4107	0	6890	4848	5963	5668	2832	0	2402	0	1298	9537	0	0	0	2435	1372	1089	907	3944	2786	6356	0	10218	13511	9057	6362	6351	8729	6438	0	4865	2655	0	2250	0	0	9267	0	0	8733	3139	3744	24652	23457	0	20801	6458	19380	0	7204	5386	2130	0	0	13734	4107	4071	0	11552	1490	0	2233	1864	Lipid	0.125	1.6875	0.0625
26	C16 H27 O2 N1	266.21146	266.21155	0.16924405	266.2115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1837	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5623	21146	0	0	0	0	0	0	0	0	0	16064	0	0	2043	0	0	2533	0	0	0	0	0	0	0	0	0	2271	0	0	0	0	0	0	0	0	0	0	0	0	0	2629	2866	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5886	Lipid	0.125	1.6875	0.0625
8	C16 H27 O2 N1	266.21146	266.21188	0.085602656	266.2115	35318	40357	31098	36161	25697	14721	33928	40875	11687	37431	17183	21745	10241	10132	20631	106927	29345	24496	42790	44632	33233	33499	24611	296600	45745	10750	61338	17113	36339	28528	32397	53483	54300	44062	51020	29623	49705	20125	29574	21239	2758	17643	0	0	0	46160	14295	0	52474	28592	34000	31972	24973	0	20474	4340	7337	93872	0	0	84766	5665	12722	18213	9822	18995	27128	45771	7768	21317	16285	36891	30233	26245	40220	29477	0	19954	21347	13411	17171	0	0	16098	6863	8218	28201	27874	52430	92863	53373	0	166934	16310	36886	0	36961	35085	7789	3645	5114	45117	18389	17233	0	71116	9084	0	25113	13167	Lipid	0.125	1.6875	0.0625
10	C16 H27 O2 N1	266.21146	266.21185	0.10850613	266.2115	23256	22122	21828	19583	13221	7704	10028	49647	7353	36085	15565	43702	6156	7275	13654	56264	12365	21333	35228	35712	31902	9667	9570	23997	14491	11422	20207	17251	28368	41229	53674	28027	31715	24860	38078	26912	32133	12368	14566	24667	2106	5577	0	0	0	15087	26521	0	30548	48228	21076	23184	20402	0	8853	1374	2613	54105	0	0	50411	6789	6853	5859	5485	6136	7374	24590	0	17035	16264	43869	32906	69755	22776	36873	0	42751	9239	10392	9516	0	0	13047	3624	2401	15116	10027	17657	45054	36620	0	36512	12990	30580	0	20674	23719	7395	3639	3101	25419	52346	11306	0	24964	6191	0	10317	11081	Lipid	0.125	1.6875	0.0625
24	C17 H31 O1 N1	266.24783	266.24817	0.12800011	266.24786	0	951	0	0	0	2301	0	1220	0	2455	0	0	0	0	0	4647	4907	0	0	0	0	0	0	0	0	0	0	0	0	5236	1097	2270	3297	0	0	2281	0	0	1985	0	3352	3052	2093	0	0	1177	6093	0	6362	19530	0	0	0	5054	0	0	0	1137	0	45359	0	0	0	0	0	2024	0	7241	0	0	0	0	0	0	0	11049	0	0	0	0	0	0	0	0	0	0	5250	8827	0	6899	0	0	12356	0	5148	0	1608	0	0	0	0	0	0	0	0	0	0	0	0	6629	Lipid	0.05882353	1.8235294	0.05882353
16	C12 H10 O5 S1	267.03217	267.03253	0.10533196	267.0322	4961	4804	4861	3175	12886	8143	2285	0	7643	8372	1799	1852	23272	5578	4180	3263	4844	18564	17263	3059	0	7361	1377	3787	4600	1686	0	4338	2113	0	0	0	3319	1206	9445	1989	3481	1432	0	2993	1558	3393	370	0	0	2126	0	0	1734	0	3534	3749	11375	0	6549	5035	3688	4977	1554	0	0	1929	7264	7504	2741	11579	4738	2880	0	0	0	1717	0	0	1756	1682	0	0	5592	5850	1175	0	2668	1710	8663	4287	3735	5532	8707	0	9350	10021	0	8038	9532	0	3782	6991	5775	7668	4057	4882	0	2531	0	0	8019	0	2123	15526	Organosulfur	0.41666666	0.8333333	0.0
10	C11 H10 O4 N2 S1	267.0434	267.04382	0.19990928	267.04346	5048	3765	5479	4510	7846	6436	3742	3669	4875	1748	1287	2671	6132	0	2861	7645	5798	7191	8017	1425	1733	8276	3915	7642	1669	0	4392	0	2839	2192	2723	2199	5706	2503	0	2242	4631	2638	8708	2359	3179	5581	0	0	0	3229	2090	0	4563	3658	3117	6297	5264	0	5983	4124	3770	7826	0	5142	0	1818	2509	2900	1302	5305	2698	10525	0	0	0	2007	1318	0	3129	1435	0	1732	11454	0	5557	3082	0	0	4648	3519	11060	5625	4600	30024	0	5616	21990	2235	3968	0	5620	4208	3737	6301	4610	5325	1835	2422	0	9889	6286	0	6006	7596	Peptide	0.36363637	0.90909094	0.18181819
4	C16 H10 O2 S1	267.04742	267.04828	0.026086275	267.04742	0	0	0	0	0	0	0	1306	0	0	0	0	427	0	893	392	0	0	0	0	985	0	0	0	0	0	0	0	0	0	0	0	12477	22178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4266	5237	0	0	388	297	0	0	0	0	0	0	264	756	0	401	314	0	0	0	0	0	32599	0	0	0	0	0	0	0	0	0	0	0	0	1160	0	0	0	0	0	0	0	0	0	0	0	0	0	821	447	0	3429	0	0	0	441	0	0	0	Organosulfur	0.125	0.625	0.0
16	C12 H10 O7	267.04993	267.0503	0.15948588	267.04996	21009	18133	18283	18733	50132	36616	9398	6895	45517	4183	4519	12929	94352	39794	13833	9090	7458	70936	70492	1925	2219	10784	21288	12550	10470	0	10777	3766	7239	6932	13218	7986	18823	8749	9618	6456	15879	15940	9095	2307	3767	18551	3189	1778	3737	5606	4782	4034	9509	7556	18621	23770	43354	2075	42849	35839	25750	11014	3331	3807	10935	1814	89923	57445	22852	80920	23643	10288	0	2991	2119	8863	5845	3963	3437	5824	2143	12659	21929	13043	21171	7282	2407	3108	54557	31845	23483	22882	33412	0	6692	10409	0	8375	5368	3518	17051	15311	30430	48667	58144	21385	10044	3854	3427	0	33755	1868	8792	108205	Phytochemical	0.5833333	0.8333333	0.0
6	C12 H10 O7	267.04993	267.0504	0.17939334	267.05	13591	15685	10442	15686	49157	16198	2648	3265	46423	5135	6766	5736	87091	19236	4109	5682	4506	49274	48934	3603	8538	7698	8173	3505	1380	967	3555	0	3012	3322	3685	3389	9456	3217	7519	2983	7645	4360	7613	0	5721	14657	980	743	1717	3663	3037	996	4478	2263	12422	14842	30132	1332	37414	55401	17242	6405	3259	4265	5353	2317	90465	45539	13323	61097	17327	8837	2349	1959	2759	2130	4917	2917	3748	4565	793	3821	8191	0	6718	3062	1903	0	56838	17929	7857	19685	21047	6261	0	3278	2564	6319	3945	937	12260	11672	33715	83657	75129	10046	4254	3777	0	4406	41753	708	2559	101293	Phytochemical	0.5833333	0.8333333	0.0
4	C12 H10 O7	267.04993	267.0504	0.1287434	267.04996	4362	4315	2821	3206	11837	4050	904	565	10792	1654	1557	1594	21758	6585	977	1053	1707	11823	10240	0	2105	2412	3284	1299	783	624	1619	0	941	1069	1074	0	3317	651	4682	1635	1602	1799	1389	1173	1622	3979	0	553	1186	1420	1948	1144	1183	1030	3597	3633	6804	984	9835	13705	5454	2022	1095	1544	1467	0	23059	12394	4586	15764	3894	1668	1354	0	0	1027	1065	822	0	881	881	1362	3391	0	2501	1157	864	834	14470	4995	2593	5318	5154	1327	0	665	1403	1488	1548	2123	5236	3525	10069	25287	20699	2076	2069	1342	0	1090	9760	856	1259	25188	Phytochemical	0.5833333	0.8333333	0.0
18	C12 H10 O7	267.04993	267.0503	0.17417349	267.05	8456	13418	10811	7383	32526	19907	7170	5940	27220	0	4142	6670	49044	27161	4857	4436	4789	37381	40187	3757	0	3655	13608	4440	4587	0	7052	0	3828	3553	10215	5077	9404	4826	2820	3526	8289	10148	4874	1234	3101	8154	2052	1356	3239	3480	2978	3584	2798	3105	9705	12342	25626	1449	27416	24493	14457	7756	3386	1689	6986	2027	50876	26376	10970	35109	13426	5852	1561	0	0	4597	2068	3212	3660	0	2653	5733	18096	3938	18628	4024	2343	0	36036	20868	14915	9950	16686	9009	3691	6252	7751	4598	4802	2698	11756	9394	19988	32361	32245	5695	5686	3759	3426	7386	20316	2248	8827	41277	Phytochemical	0.5833333	0.8333333	0.0
22	C12 H10 O7	267.04993	267.05026	0.18868452	267.05	4804	4373	3887	5557	12027	9419	4205	0	12210	0	0	1995	10613	6947	3037	2291	2144	17605	16102	0	0	2297	4874	3783	3520	0	2689	0	0	0	3495	0	2524	0	0	1843	2224	2430	1896	0	1554	2846	0	0	3038	0	1542	3187	1877	1517	4290	3977	8571	1430	13385	6240	7553	4346	0	0	2525	0	20317	13694	3129	17560	7427	1796	0	0	0	1758	1148	1585	0	1482	2431	2247	8164	0	10698	1669	0	0	20546	10091	7361	6704	7854	4580	2227	0	2251	1664	0	0	3166	6481	7221	12307	11260	2018	4147	0	1930	2849	8604	0	3904	17451	Phytochemical	0.5833333	0.8333333	0.0
14	C12 H10 O7	267.04993	267.0503	0.16010994	267.04996	33928	38586	27326	37810	95223	76704	17842	15305	104418	12380	17532	22734	175255	90088	30888	24596	18508	145140	129442	8358	9956	19505	37818	17847	18492	0	15690	12644	14517	17946	17899	17763	41139	20148	16042	16303	30457	25939	19380	5953	8424	44206	4111	1465	2554	8105	6326	2957	17827	16494	34629	33665	72390	1788	96951	65238	45923	40285	7805	5251	20180	4612	186341	94918	41871	143292	55552	24537	0	3262	3144	16347	18865	10640	14442	16236	1881	21752	37122	23221	30502	9434	4406	3281	101439	45675	53948	53837	57371	21133	10482	19439	21941	14976	10900	3217	37489	34685	51517	92686	99315	29119	27340	10870	0	26976	59751	1634	16802	165426	Phytochemical	0.5833333	0.8333333	0.0
20	C12 H10 O7	267.04993	267.05026	0.20192865	267.05	8020	8215	6062	5964	22151	12843	4624	3810	25443	3477	0	5670	27488	20703	4966	2350	3346	24614	22156	0	0	4292	8129	2086	2713	0	4107	0	3394	0	3833	1618	5952	0	2357	3096	5470	5338	2980	1919	1538	4857	2963	2577	3169	1848	0	4570	3983	0	8218	3873	13076	1717	15380	13843	11052	3958	1070	0	3129	0	34335	21151	7164	22131	5987	2464	0	0	1867	2669	1654	1763	2501	1433	2996	2116	18167	1472	15199	1612	2431	0	22127	16781	9486	8499	7761	3014	2455	3353	5024	1935	0	2239	5780	5632	13087	17502	20602	6427	4661	0	1570	0	10322	3237	4392	36534	Phytochemical	0.5833333	0.8333333	0.0
6	C11 H10 O6 N2	267.06116	267.0616	0.14543818	267.0612	8516	9999	7023	7261	12253	6437	2255	3643	14715	3009	4056	5335	19053	5111	5077	8721	5605	20143	20249	1731	4757	9233	6729	6806	1599	0	2021	0	4550	3100	4929	5240	10429	4804	3507	3145	8692	3937	10260	1451	2837	10209	0	0	0	2924	0	0	3993	3405	7832	7905	11693	0	18359	8809	7064	7614	2131	3689	6023	0	28509	13591	6218	18138	11948	9962	0	0	0	4059	3103	1586	3898	3083	0	2829	4363	0	3250	797	1694	0	12039	5456	7271	15332	12832	17752	0	2622	16390	1978	1344	0	7536	7587	7667	11436	9112	9246	4173	3129	0	9859	8106	0	3089	41799	Peptide	0.54545456	0.90909094	0.18181819
10	C11 H10 O6 N2	267.06116	267.06158	0.20926784	267.06122	15766	11801	12484	13281	23583	14844	6372	8170	23763	4451	6639	12190	26692	8860	7832	16882	15826	31227	31327	2825	3994	22245	12873	12889	6233	0	7689	0	7922	6467	8804	6814	20146	8238	11233	6855	19244	9238	15512	2253	7970	16722	0	0	0	4341	3908	0	8492	7221	16632	16016	20388	0	30508	13497	11007	13353	4378	8410	17719	2059	38405	32123	10057	32872	19059	19911	0	0	0	5880	6280	2730	10552	6686	0	7141	15846	5943	14539	4698	1926	957	17214	9802	18034	25511	21486	32399	4455	4826	29779	6391	3973	0	12464	13147	13196	14841	12709	15468	10119	4388	0	23201	12738	0	8999	55955	Peptide	0.54545456	0.90909094	0.18181819
12	C11 H10 O6 N2	267.06116	267.06155	0.19005173	267.06122	5468	5551	7475	7232	16924	8607	4407	3727	10726	2435	3575	5479	14958	5221	3757	6285	11287	22100	23695	0	2660	8126	12434	6667	3134	0	2490	0	3465	3300	5932	3693	10045	4161	3583	3102	6198	5761	13388	0	0	11578	0	0	0	1488	0	0	4378	3757	11724	9554	12264	0	14844	6309	6716	7287	0	0	0	1727	22853	18031	7788	20290	11274	11267	0	0	0	3535	1415	1211	5923	3318	0	4774	11339	0	5921	2077	1148	0	8440	4518	9783	11741	10204	23861	0	5486	20607	3813	3128	0	6154	7070	8195	7772	6448	6470	6780	0	0	13450	4867	0	4583	33552	Peptide	0.54545456	0.90909094	0.18181819
8	C11 H10 O6 N2	267.06116	267.0616	0.20266867	267.06122	11643	13753	11264	12868	21972	11931	5095	5894	24920	6309	4030	9356	29028	7327	7928	12122	13887	26739	33454	3162	6582	16697	12720	13189	3449	0	4655	0	6158	4956	6150	6796	14130	8144	7396	5656	17690	8213	16889	5678	11628	15710	0	0	0	4359	4024	0	8469	7723	11680	14497	18957	0	27202	13517	11123	11004	3181	5126	12727	2443	40553	31406	11095	25651	14036	18634	0	1391	0	7496	6242	3723	8164	6360	0	5839	13927	0	9396	2141	2062	1356	16466	6122	11816	22398	18946	24507	0	0	25824	4574	5432	0	11531	11558	14414	16162	13084	15221	8289	5105	0	15183	13740	0	7270	50760	Peptide	0.54545456	0.90909094	0.18181819
18	C16 H10 O4	267.0652	267.06552	0.13394961	267.06522	7513	7049	4813	8964	9063	7389	3308	5885	5800	6220	7766	5752	11194	10867	6099	6588	9797	15197	19273	5814	9068	10213	7199	6827	7177	8753	4309	6433	5050	4629	5531	4969	7674	0	13403	2981	4232	4910	5492	4203	3989	8885	1721	760	801	5932	4603	938	3366	2675	6235	7186	9215	1073	6167	5671	5806	10559	3422	4142	5936	2937	7701	7373	7700	14823	20420	8005	3373	8805	2648	3882	2184	2719	3335	5777	632	2256	15601	10770	7130	7946	3256	3471	7580	8567	17361	11729	11649	18529	10076	6796	7431	9718	8942	1717	8408	8033	9459	6140	6771	6725	6086	6436	1734	6337	8179	590	7507	9458	Phytochemical	0.25	0.625	0.0
20	C13 H14 O4 S1	267.06854	267.0689	0.21131153	267.0686	7301	9641	8971	6791	13555	15848	4983	2256	11388	22868	14389	1707	14765	9845	4248	4805	5798	21301	11896	21209	14341	14881	3960	2841	5357	3124	1908	13758	3379	2498	2026	3178	6521	3105	25717	4084	7408	3617	3984	19891	14212	8349	440	0	383	7850	12283	0	2937	3093	10659	7519	12835	0	6065	8610	3374	7801	11377	9391	7798	10007	4370	6692	4054	10402	10475	5556	2050	2206	0	1835	2335	0	2330	2331	493	1803	5432	21012	1560	6467	7686	10520	7768	6103	5874	9989	11186	8745	42515	42792	7051	21109	32289	596	12141	6144	8219	6240	6583	9221	2771	11030	6923	5945	8209	0	6445	10571	Organosulfur	0.30769232	1.0769231	0.0
18	C13 H14 O4 S1	267.06854	267.06894	0.2111704	267.0686	13732	17056	16751	13251	21089	15853	2050	2860	10631	42922	30660	2661	18562	8773	3257	8229	8254	29946	22491	40877	32985	41317	4577	6285	6276	7589	5414	26588	4840	3370	2749	3600	8812	6112	35894	3984	9887	7744	12241	35101	28445	11119	893	320	0	16521	15452	0	4856	2149	14482	15774	13725	290	16615	11168	6788	15961	18395	15601	8577	24716	7888	11214	7071	15161	10764	7124	8743	10804	11122	2485	1326	0	3497	0	300	2718	5413	44630	2735	20840	11453	25681	13673	16518	10208	12705	15547	7977	68896	78615	8158	41186	69019	0	14020	17699	13303	11763	10865	9450	1816	19902	13149	7695	13526	342	11106	19226	Organosulfur	0.30769232	1.0769231	0.0
16	C15 H10 O3 N2	267.07642	267.07678	0.25018984	267.07648	20460	15850	12678	18632	29446	18160	13884	19628	10022	0	0	17616	6532	10898	12870	56616	41752	18000	39424	0	5816	9176	11320	18576	12964	0	16768	0	15160	17988	11088	23714	30040	18344	3492	16580	30810	13682	42176	1369	3410	43618	0	0	0	2438	0	0	20808	13532	13288	21982	33370	0	4352	3154	26426	68408	0	3908	44392	0	14080	7408	11864	27338	53068	43916	0	3692	0	20084	20002	0	23240	19326	0	13148	19922	0	10104	0	0	2616	16258	10040	37152	34808	20050	99252	0	0	0	0	0	0	17862	13256	8226	6720	13554	29292	7734	0	0	31366	10874	0	13302	10160	Unclassified	0.2	0.6666667	0.13333334
4	C13 H14 O6	267.0863	267.0868	0.12096138	267.08633	56369	62217	44060	58819	166852	44894	30771	40145	204622	45985	48188	34189	207032	55377	34671	81858	51394	205710	103682	44638	56794	61917	47111	44325	26804	30454	31082	26836	39006	34721	37466	38240	61530	28983	74903	42699	46817	64864	60665	41514	56592	64016	12798	11242	26170	45903	46471	19709	41990	35540	50150	42914	140630	15224	207088	209088	54828	99410	33171	40398	47183	27188	128415	198330	46428	187856	46950	59362	64524	39263	66704	32140	39093	38445	24800	44919	11907	28877	48478	16630	49992	35408	31891	21648	189306	111568	43594	104008	71983	101390	35454	31984	43426	32857	35586	33228	50612	58581	93444	249370	234796	55614	43072	43879	40374	33590	151032	13113	29494	246650	Phytochemical	0.46153846	1.0769231	0.0
12	C12 H14 O5 N2	267.09753	267.09796	0.12207189	267.0976	82567	84883	91597	93018	60150	49688	86424	85093	61679	37884	41129	60262	59511	29432	71798	111271	134512	94863	98845	41995	38961	129627	86455	110491	73020	9547	73416	61237	81965	67977	62660	93892	115123	91833	51582	77372	125477	70833	167296	41630	69654	66705	2152	1675	1349	45893	40332	1436	101752	67759	89710	85172	74286	1946	76317	27547	42419	132735	53144	64784	118838	30743	77950	64357	40033	76750	65150	157113	21181	26567	34162	64654	71452	54241	83256	66118	833	58637	87076	67093	69822	35199	43791	24532	40885	49550	106077	86070	85918	270528	106720	110611	210490	46695	56200	2026	86951	99218	42571	33749	29296	121061	62010	55927	20871	130679	46056	1540	81515	110688	Peptide	0.41666666	1.1666666	0.16666667
2	C12 H14 O5 N2	267.09753	267.09805	0.0941156	267.09756	50932	49318	42147	48590	89764	56630	31548	51898	96576	23770	35280	53865	111618	29948	39473	25917	69483	123874	104703	23211	51088	72177	54193	47486	19099	4784	13596	15676	50709	27820	51501	44422	94562	45136	44123	38564	57635	36937	69074	27246	36065	73127	1277	771	1046	23630	24145	1015	45338	28211	43954	51976	92882	1068	96348	50733	58464	60055	20435	32459	25915	15008	145389	110109	56844	125854	84268	92534	12697	16575	16856	37937	41733	27432	20934	36594	868	30491	40837	13546	36978	15389	17072	9742	62293	46472	43837	131790	106249	119122	21436	27422	106136	26044	9911	1991	49194	55004	57764	70907	63446	43891	43914	28780	18408	77842	56866	717	38342	176402	Peptide	0.41666666	1.1666666	0.16666667
4	C12 H14 O5 N2	267.09753	267.09802	0.06945867	267.09756	116999	142949	117161	126783	122800	89337	56709	115521	170406	56285	63174	105574	147861	43777	96660	158912	231152	216954	229316	69922	87294	177613	138266	138130	54461	13111	70606	25737	86435	82745	102974	97115	146166	91344	87618	98024	136873	100523	289756	64637	93063	173872	2551	1117	1216	81324	87970	1438	110943	103168	127208	105403	151475	1413	210709	113050	119605	140622	67766	107102	151945	42589	191508	185146	110306	156070	118181	236189	34132	34580	42535	79219	78174	72515	75836	83576	752	69498	103464	34476	89803	46553	45974	23854	155569	132374	108003	216439	186984	258513	38962	59959	250237	47964	49948	3246	107646	139672	123072	134499	133744	158992	96156	98155	52071	160512	137203	1341	76836	247242	Peptide	0.41666666	1.1666666	0.16666667
0	C12 H14 O5 N2	267.09753	267.09805	0.03528478	267.09756	6556	6595	5356	8022	10902	0	2500	8745	7561	4695	1583	3018	18217	4326	3569	0	4061	17156	11632	3722	6644	11709	4234	7860	4265	1281	1455	2135	9646	3101	7069	6427	14154	7322	7012	7197	9954	2486	4855	3844	2046	11522	0	783	1069	4236	1684	974	10224	4550	5736	5715	11808	753	9377	6448	3554	11927	2720	1914	4073	1034	20935	10594	5650	11955	13402	5995	2073	3936	0	7666	10076	3087	0	6658	921	3886	3191	1408	2882	2115	1641	0	5568	3680	2606	7929	11481	5271	5371	5515	16696	2130	0	1066	5808	8372	3783	5838	6358	6932	3156	5192	1784	13622	5837	641	2871	37092	Peptide	0.41666666	1.1666666	0.16666667
6	C12 H14 O5 N2	267.09753	267.098	0.078983694	267.09756	213657	240589	208081	227415	196563	158056	137302	221578	235811	120223	110809	178455	219040	71529	183882	340160	303290	365233	377633	119242	175438	276053	213197	298097	111843	23887	137866	55641	178441	169898	203606	221829	333658	205384	156624	169038	303691	186845	408960	101977	184704	242330	3002	1058	1156	138558	160735	924	261739	194117	232976	220159	230013	1161	279368	136278	160629	294341	130542	201239	315148	84851	259544	219592	133514	252419	234405	416918	53894	73713	96630	184187	181135	138222	146837	172984	682	125691	169696	51962	147388	82723	105916	49499	162288	147739	204106	312383	294336	521770	89380	146323	478776	106179	112648	1752	218572	203396	135146	130417	152387	330152	179996	182102	85028	334531	173060	1052	144526	401885	Peptide	0.41666666	1.1666666	0.16666667
10	C12 H14 O5 N2	267.09753	267.09796	0.12851852	267.0976	148814	143206	125657	125502	122787	112602	114705	164058	123923	82282	66600	138379	123754	55341	132545	215203	217569	213651	192939	79231	98499	200360	158579	179963	111324	14712	133922	45438	153504	129887	112034	153420	241558	156245	106553	131774	236909	123584	271744	88290	119397	140403	3973	1426	1733	86328	76384	1543	174886	116500	146971	143309	142343	2899	174742	67096	72078	217163	97128	108689	228912	64615	109620	141435	81832	155279	136170	262783	37087	50043	50189	138609	130737	89468	152567	120462	960	112374	150614	70299	129528	58467	75568	34087	85682	77235	165365	165534	159539	303252	95550	126319	341779	85795	109080	2639	152084	140495	73018	72859	65753	211957	120751	109753	49940	218234	92373	1664	127737	205046	Peptide	0.41666666	1.1666666	0.16666667
0	C17 H14 O3	267.10156	267.10217	0.1424274	267.10162	0	0	0	0	0	11744	0	0	953	0	0	0	0	0	0	0	1043	0	0	0	918	0	0	0	2255	692	0	22520	2383	0	0	0	2856	0	0	0	0	766	0	0	0	0	0	690	1125	0	0	946	0	0	0	0	0	919	1100	1019	0	0	466	724	0	0	0	0	0	0	0	858	1063	0	0	0	0	0	0	0	1228	0	0	95588	0	828	0	0	1018	0	0	1815	1510	0	8857	2615	0	9002	0	1368	0	0	666	1172	871	0	0	0	1239	0	0	1074	0	0	Phytochemical	0.1764706	0.8235294	0.0
12	C17 H14 O3	267.10156	267.10196	0.15488319	267.10162	13210	12720	12819	14124	8441	4926	10003	12411	7070	9908	8808	7338	6733	5147	9859	15020	11652	9351	13368	12835	10970	16619	11736	16474	11035	13111	13180	0	9618	10451	9066	13097	15269	8123	14323	11434	9230	9784	12880	9644	13507	7527	1635	747	1349	11804	5972	1541	13899	9602	11456	13516	8356	1046	6834	6388	7481	16340	8183	12368	17111	5756	10166	8444	6227	7466	7585	11799	0	17919	22777	10105	10151	7140	10098	11297	980	10545	13957	0	13126	13835	11523	7500	8383	7054	14041	8423	6268	21284	6207	14021	22001	6145	12632	1584	15191	14099	8828	8305	7825	11102	10830	8379	0	8639	6617	1366	12733	9476	Phytochemical	0.1764706	0.8235294	0.0
6	C11 H14 O4 N4	267.1088	267.1092	0.058015864	267.1088	4809	4925	3757	5589	3110	2148	2976	3236	3118	0	0	2791	4395	1517	3793	6954	6009	3996	4458	2165	1273	8705	4266	6816	4185	0	1358	0	2514	3413	3786	4521	4811	4802	2345	3658	4687	3936	9838	1523	4656	4703	0	0	0	3700	2491	0	5393	3292	4075	4362	4744	0	2710	1919	2132	6769	2925	4326	5493	0	4382	2631	2014	6344	3733	9040	0	0	0	2918	2972	3739	3577	3143	0	1898	4113	0	4593	995	2952	0	4543	2656	6111	3519	3549	20465	0	3644	17519	1772	0	0	5150	5041	1892	2552	4975	4155	3186	3494	0	7644	2880	0	5504	5065	Peptide	0.36363637	1.2727273	0.36363637
12	C11 H14 O4 N4	267.1088	267.109	0.04992081	267.1088	0	3729	4055	0	0	0	0	2641	0	0	0	0	0	0	0	7019	0	0	0	0	0	11487	2067	0	3049	0	0	0	2334	0	0	2727	0	0	0	1497	3383	1576	3126	0	0	1681	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2141	0	0	0	0	0	0	0	1593	0	0	0	0	0	0	0	0	0	2514	0	0	0	0	0	0	1542	0	0	0	0	3065	0	2762	19827	9170	3855	22931	0	6161	0	0	4289	0	0	0	2711	0	0	0	5541	0	0	3264	0	Peptide	0.36363637	1.2727273	0.36363637
22	C16 H14 O2 N2	267.1128	267.11316	0.13277689	267.11285	4197	2097	0	3675	2121	5598	3241	0	0	2384	4233	0	0	0	0	2809	28049	0	0	0	5261	0	0	1327	1897	0	1607	15961	9673	1699	0	22670	2392	38174	1950	7329	0	0	26438	0	0	21161	0	0	0	0	1708	0	9473	0	3173	1894	3037	430	0	0	0	6621	2082	4929	3219	0	0	0	0	0	3795	43550	0	0	0	0	1345	0	19286	2500	0	0	0	202131	0	23358	2094	0	0	0	0	0	2014	2509	4330	0	2223	8463	2672	0	2387	4913	20551	0	0	4246	0	6865	7815	1445	0	0	0	0	Phytochemical	0.125	0.875	0.125
14	C11 H19 O2 N2 S1 Na1	267.11377	267.11417	0.25213757	267.11383	5106	6674	0	0	3522	3934	0	0	8930	4776	0	0	7532	0	4470	0	0	10252	7194	9016	5856	0	2884	0	3392	3434	0	0	1387	0	2240	0	5754	2794	7508	0	1557	0	1357	4632	0	2440	0	0	0	1485	0	0	4492	4568	0	0	2894	0	5400	5790	3868	5720	0	0	0	0	9462	10240	2576	7616	3064	2333	0	8103	11509	0	3352	0	3344	0	0	0	0	0	5193	3436	3124	4925	4344	0	3786	0	4968	47528	0	5492	31474	0	6566	0	5586	0	7464	8272	4044	0	2642	4784	0	0	3302	0	0	7510	Peptide	0.18181819	1.7272727	0.18181819
4	C18 H18 S1	267.1202	267.12088	0.57061476	267.12036	594	0	0	0	673	0	745	0	732	0	0	0	0	989	0	1025	0	529	470	0	0	0	0	0	0	0	1871	0	0	0	0	0	0	0	0	0	0	466	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	657	570	553	776	0	1312	554	0	0	635	0	0	0	0	0	0	0	24167	0	0	0	554	0	0	0	1124	1248	1017	759	393	0	0	0	0	0	592	0	0	0	0	0	0	2418	1364	0	0	0	0	656	1034	0	0	0	Organosulfur	0.0	1.0	0.0
8	C14 H18 O5	267.1227	267.12317	-0.04892856	267.12268	480343	1039372	356780	979122	944550	669698	760316	964686	508777	725030	518062	378100	1098774	570998	409337	1162326	569277	544854	670992	1145838	1014448	511289	441223	517373	611326	972490	392605	489528	529631	504093	425253	513000	540334	413558	1040164	466933	544875	387925	646830	751754	399292	413312	42224	32109	53941	864274	795956	43162	564705	839372	450388	969598	849422	38668	1480458	991022	665794	526732	657502	376424	544413	239415	568732	1060496	548142	956010	726078	1125994	438668	1078832	1227964	384015	433307	411538	446297	530376	35786	350489	1187246	470488	429388	348999	926074	688458	1031190	307027	1116774	309848	453791	617595	361444	474148	599607	596690	744024	50349	512290	522647	902900	1307868	661897	1160722	372220	1051148	210228	406742	981266	33052	361058	535400	Phytochemical	0.35714287	1.2857143	0.0
12	C14 H18 O5	267.1227	267.12308	0.06563	267.1227	2996726	3598310	3338532	3422058	1639156	1225388	1450997	2836782	1651267	1504155	1149240	1705686	1612563	1044357	2138934	3929364	3187880	4699874	4968478	4393362	4177626	1627486	2461700	2514380	2110660	1645463	2999360	993410	3490176	2732182	2643774	3371346	3954622	2915844	3649632	2785396	3559208	2098342	3626452	2741384	1395114	2620920	89871	50628	58498	2195348	1118985	63406	3877016	2470320	3452438	3488930	3022516	51574	2294561	1356307	2114630	3690474	1044323	1111867	1840713	897355	2048663	1609195	888587	1923521	2806742	1550570	1482253	4011206	4121182	2333448	2597958	2402622	3231816	3098732	35176	2082262	2756502	892469	2162574	1945546	2926722	1257999	1553213	1151763	3277836	2336876	2811190	3369084	1685511	3661530	3228938	931957	3206798	82388	3530952	1791931	1354470	1643563	1808602	3850484	2046542	1491269	687833	2516758	1550580	52686	1978164	4277974	Phytochemical	0.35714287	1.2857143	0.0
20	C14 H18 O5	267.1227	267.12302	0.0852668	267.1227	392894	417028	383358	335174	517648	495572	345122	425903	524523	329343	186173	274761	723345	413740	423179	390937	334039	730153	687689	385533	321301	333873	372577	357668	352851	188275	315455	198933	480328	395245	369968	429941	631754	410932	393139	420148	655489	312210	323006	287840	203350	380181	92862	105379	91925	249646	171647	110094	462756	302092	392947	412055	453289	76968	693715	455938	330065	496719	333827	183559	422445	172547	556612	518848	256524	591249	406312	340214	161175	238067	224219	343158	380282	405300	335099	418162	80167	302064	373796	189368	320827	164753	348953	223674	433354	315121	394176	325207	401242	323475	419815	427204	476592	186985	212871	108214	413085	415130	387656	490524	515724	571562	328987	384404	189248	340955	368204	102917	337728	745604	Phytochemical	0.35714287	1.2857143	0.0
18	C14 H18 O5	267.1227	267.12302	0.08081696	267.1227	961782	936778	918938	849772	1142796	1037740	863982	880870	1081837	807702	530426	562667	1643952	939264	869281	926899	788452	1757972	1688003	1047053	797310	739879	805495	750606	717574	414044	733839	554955	1040292	855701	818529	1023495	1386152	995981	871876	1006522	1403456	730487	806802	683366	505395	915265	85282	46211	65360	551100	376125	59061	1093139	685227	930840	930015	1068252	52250	1744520	1081010	724286	1125425	668878	440631	931443	453718	1312096	1194220	585319	1400990	976072	831680	364348	565585	500669	724015	751735	871426	693170	947068	45953	628208	854621	478934	657539	411347	688417	494121	1000304	836215	943683	848643	1023802	702648	1035496	1084304	956113	423166	680888	70616	923459	987733	890687	1135855	1243905	1220232	601584	894112	302660	700526	858115	54806	687586	1417575	Phytochemical	0.35714287	1.2857143	0.0
14	C14 H18 O5	267.1227	267.12308	0.09051048	267.1227	4078458	4138732	3811344	4213958	2330835	2024383	3470310	3302672	2397023	2110200	1520863	2376874	3001298	1634279	2910628	4063678	4024868	3632837	3248972	2843250	3026988	1964381	3106534	3009432	2871630	1788591	3327912	1594583	4054034	1727349	2944242	2069709	5498238	3486130	2559048	3754734	4783996	2683650	2103752	1941507	1724977	3652026	122898	53805	54449	1348002	1279425	62983	4278620	2560480	3802548	3563262	4380182	51165	3119716	2054696	2794790	4646406	1350459	1303433	1955350	1162620	2712588	2436179	2473930	5539402	4015728	3806740	1454560	2216459	2060264	2931108	3125970	1563754	3329290	3532842	39993	2559408	3478894	1269185	2626430	1086196	1627849	1586887	2158612	1390600	4188804	3446056	4271662	3985402	2151148	2035912	4075560	1264046	1882923	85222	3957964	2016340	1839364	2399748	2543415	4827942	2488420	2004196	791042	3117396	1982287	58954	2580960	2622643	Phytochemical	0.35714287	1.2857143	0.0
16	C14 H18 O5	267.1227	267.12305	0.089559175	267.1227	1603961	1698478	1642566	1691001	2150228	1759540	1485651	1393816	2028512	1797904	1167118	977919	2670738	1443430	1356695	1728849	1634179	3127696	3008618	2313225	2134796	1470806	1248016	1277562	1152428	980020	1354342	1163223	1643349	1417320	1453228	1756030	2296061	1507311	1950492	1651623	2229752	1109145	1644728	1454927	1237741	1575784	105829	54421	67041	1014551	913733	65595	1874159	1229109	1725318	1672122	1950907	53313	2583537	1829480	1217565	1949921	1139388	977201	1585841	909808	2170280	1978075	994400	2366074	1756667	1510241	858818	1342793	1140372	1351200	1446826	1422265	1495671	1598195	50573	953066	1465412	1038476	973517	870121	1348956	1239405	1824728	1270552	1640212	1537776	1771875	1660752	1726651	1861871	1563324	1021559	1525630	81524	1676941	1736791	1577002	1965926	2264988	2235439	929400	1391942	589438	1305065	1776483	54368	1160769	2605176	Phytochemical	0.35714287	1.2857143	0.0
10	C14 H18 O5	267.1227	267.12308	0.06686759	267.1227	2111252	1864310	1808154	1739182	2022924	1519570	1681604	1990752	2005384	1688448	1189442	1327310	2411254	628882	1480532	2481406	1968596	2696614	2854582	2405308	2348890	1895240	1517758	1945562	1338568	2217042	1604330	577175	2082174	1813112	1594112	1933868	2457348	1667980	1965694	1857978	2315848	1448694	1133592	1695616	1626742	1596472	87464	46614	61917	1521090	1355056	56993	2018292	1555212	1927512	2006080	1795758	48317	2921634	1921678	1078360	2511930	705098	1510248	1216766	949676	2080978	2064310	1028540	2248706	1552584	2267606	1031457	2488846	2561914	1449096	756646	1544232	1918910	1778250	46916	1191464	2079734	506549	1559004	1192784	1822524	1310692	2198254	1469466	1097471	1393430	1657328	2181542	886116	1885876	2193098	1250090	1818388	69086	1977042	2104532	814400	2390566	2497318	2275722	1269196	1946872	435475	1639256	1975896	48131	1346048	2421492	Phytochemical	0.35714287	1.2857143	0.0
16	C13 H18 O4 N2	267.13394	267.13428	0.016530152	267.13394	32165	30900	32845	34097	22236	23576	30695	42084	12464	11340	13434	29384	16956	11645	29198	51296	55031	20271	23698	9609	11510	33353	29067	61426	25192	3028	28804	16308	34412	34104	40113	47517	58641	44743	16149	38431	52321	28834	65713	15141	18740	24230	1710	1824	1801	22562	13847	1974	59755	33529	35118	31022	24386	2217	12664	3711	18024	54706	15389	19371	47618	10890	11169	13849	11826	25001	21835	67319	3727	5768	8608	43333	40015	32081	38604	43322	1247	23595	33951	23158	25232	14200	18015	6625	6778	16434	37225	30325	25880	84818	49653	40676	69444	9271	15708	2054	33134	26311	8165	6954	7838	48785	25064	20456	7241	49921	13100	1005	42512	17443	Peptide	0.30769232	1.3846154	0.15384616
2	C13 H18 O4 N2	267.13394	267.13443	0.043545503	267.13394	405018	409327	355241	375344	254747	311004	273033	357690	225205	271608	261453	279120	246663	123366	273505	355103	716155	380642	365028	270039	311802	417142	254373	345102	210644	56316	252060	734747	400447	315089	355959	415692	533188	347964	350158	375952	482582	262203	818208	246428	247857	325469	2245	1227	860	186566	204069	1368	422904	260291	367901	399162	285848	1799	275808	130590	160869	439609	131400	198398	314190	129590	252792	229272	149810	300226	321177	878247	95579	155880	185632	294405	351710	328757	465042	354590	858	223789	270821	3962198	219896	103251	130540	91556	170516	179865	288327	348892	358691	646741	1059545	1210992	562228	765899	227392	3184	398633	406787	186101	156714	173000	472691	259674	293366	123765	409014	196352	1398	246330	340843	Peptide	0.30769232	1.3846154	0.15384616
6	C16 H19 O2 Na1	267.13556	267.13586	0.05446461	267.13556	0	3420	0	0	0	0	0	0	0	0	0	0	0	0	3164	0	0	879	0	0	0	0	0	1639	0	0	1005	0	9968	846	0	2480	0	0	3260	3168	994	1252	0	0	0	0	0	0	0	0	0	0	0	939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1844	0	0	0	0	0	0	1394	693	5668	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2837	28206	2378	1178	0	0	0	0	0	0	0	0	0	0	0	0	1677	0	0	1694	0	Phytochemical	0.125	1.1875	0.0
26	C18 H18 O2	267.13797	267.1383	0.15833427	267.138	16311	15803	16529	17513	16206	14976	7895	23936	12224	12426	19298	13455	18089	11843	13653	19776	14525	13403	29357	23958	18186	18248	13752	20932	16050	24467	9423	23096	21690	21577	20117	16435	23353	18911	21462	28574	26279	14931	15331	19666	17106	19310	0	0	0	15924	11159	0	22796	23120	18533	17000	14810	0	15229	16128	10367	26718	11061	10396	26399	11350	11478	11574	8090	19155	25052	17614	21336	21834	23602	14581	18193	23298	12233	22044	0	17074	16846	17863	14197	13961	14136	13630	14135	8991	22155	19040	17748	20362	17083	15459	27386	17343	14773	0	16769	16953	14658	17196	17308	28332	15205	19917	7746	19152	11666	0	22719	13066	Phytochemical	0.11111111	1.0	0.0
14	C18 H18 O2	267.13797	267.1383	-0.008799098	267.13794	29812	32062	23126	29314	14476	12768	29992	32980	17555	22232	13616	28298	15252	11347	28632	35227	48441	15240	21008	23723	25687	32323	26517	34429	23521	29210	35217	16128	27004	32206	26856	33191	37412	23653	20123	33601	29825	21572	49734	24991	28486	21109	0	807	717	20600	29962	846	37861	28459	36934	24399	14909	842	13935	13111	19466	34231	21215	34771	29900	13303	12807	14654	12040	18076	13588	49807	20308	28919	39820	23019	22090	30673	41576	37584	353	23374	34302	15214	32420	26132	26132	17367	18120	14179	32603	15591	16420	69192	26997	21646	41628	17879	19742	1175	29456	27459	16226	29106	26220	28972	28273	34642	0	34110	16911	1071	32322	12754	Phytochemical	0.11111111	1.0	0.0
16	C18 H18 O2	267.13797	267.13828	0.022795698	267.13797	45485	42526	30783	50501	32795	21537	38085	59826	23420	27260	26102	34337	24995	20550	30595	64939	69427	34500	36873	40243	43863	42049	38612	58259	34119	56696	38961	27823	42740	43726	46371	54851	51197	36816	35618	54023	44548	38603	73407	30779	44342	31287	1571	998	886	28934	39087	1049	48656	58100	43292	45896	35048	948	26926	25024	24388	65624	29858	38207	44192	17283	30844	23259	21755	34512	31083	62805	40118	43587	70495	41161	39325	55464	59329	58224	779	30489	45426	23711	40435	28204	35390	25350	33768	28360	57922	30335	36663	62872	40833	39993	53788	25615	34130	1624	40685	44471	26158	35541	44593	52278	30118	40381	13506	51134	23782	609	52231	25908	Phytochemical	0.11111111	1.0	0.0
18	C18 H18 O2	267.13797	267.13828	0.080480136	267.13797	59977	68807	55524	51028	49527	37077	54438	77472	37377	50246	41206	47645	40606	33191	57473	89971	84548	38910	63288	73574	58504	52711	49454	76470	50177	80617	63892	41054	70993	71994	58853	73609	79306	62710	57619	61528	73643	55437	97932	47675	68946	48969	2491	1151	1255	36221	41556	1042	71379	64326	59786	58535	50446	1382	38653	32367	37126	80809	41811	52221	71917	31773	45831	35388	28420	46895	47740	99722	64214	67946	100223	49017	46217	65905	74666	78153	920	39681	73546	38771	62522	36838	46069	38956	48946	36654	72846	46386	49322	99362	58203	58428	90010	37583	54987	2176	61100	59136	46178	53867	51444	70201	43483	59914	28477	63062	34180	990	65350	33900	Phytochemical	0.11111111	1.0	0.0
20	C18 H18 O2	267.13797	267.13828	0.10377257	267.13797	90402	90221	71027	64577	63931	49981	55471	93644	52442	68942	65711	59811	59587	47701	76041	99466	94394	66442	82856	82409	84959	72399	58347	83253	64729	128650	65359	62558	75912	80322	59580	77697	105569	73208	71923	77616	98639	56815	83797	77599	90103	66736	6535	2206	1926	54208	66253	2355	82977	73346	66353	84927	61477	2946	50151	49765	46666	90457	53649	65740	73576	44494	53088	40585	38676	66668	70177	93348	89565	109488	157388	64097	71428	71262	88248	85510	987	55220	79816	63683	63723	41145	55929	59907	65271	45556	86844	70300	61318	112756	85227	65836	104800	51165	49202	3769	73812	76026	53837	63574	60586	112237	64709	85200	43910	78568	47326	1761	72817	51921	Phytochemical	0.11111111	1.0	0.0
26	C15 H22 O2 S1	267.14133	267.14157	0.17058288	267.1414	0	3360	1950	0	2128	0	0	0	0	3088	5813	0	0	0	0	0	0	0	0	0	4764	5113	0	0	0	0	0	11962	0	0	0	0	0	0	4424	0	0	0	0	3069	2357	0	0	0	0	5431	0	0	0	0	0	0	0	0	0	0	0	0	2953	3608	0	0	0	0	0	1765	0	0	0	0	0	0	0	0	0	0	0	0	0	9928	0	5554	3929	0	0	0	0	0	0	0	22947	24227	0	11458	9572	0	0	0	0	0	0	0	0	0	6417	0	0	0	0	0	Organosulfur	0.13333334	1.4666667	0.0
10	C11 H22 O7	267.14383	267.14417	-0.06328142	267.1438	187209	189079	135647	178684	2009	1178	0	0	1366	17066	261481	0	3999	0	0	0	0	1456	0	0	145767	1785	0	0	2262	0	1557	12335	0	4853	1200	1267	0	0	2585	1260	0	851	0	358123	273957	0	8502	2422	2960	318799	575481	3390	0	0	169957	174380	1388	4738	0	1652	2591	0	622434	171769	0	431377	5279	0	2778	11673	13393	0	0	2859	0	4053	1588	2059	1242	1061	5047	1313	0	0	828	1802	1059	0	2189	2257	0	1104	1205	0	0	26039	0	53296	21228	1821	194459	197114	0	0	1815	0	0	13601	17128548	0	1705	3357	0	0	Unclassified	0.6363636	2.0	0.0
6	C11 H22 O7	267.14383	267.14444	0.01956601	267.14383	0	0	0	0	0	0	0	0	0	0	2758	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1623	0	0	0	0	0	0	0	0	0	0	328	583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1380	0	0	588	0	0	26457	0	0	887	0	0	0	0	0	0	0	0	0	0	4840	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.6363636	2.0	0.0
14	C11 H22 O7	267.14383	267.14413	-0.01650704	267.14383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	999	1308	1585	0	1301	0	0	0	0	0	1503	0	0	609	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1918	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1069	0	0	1011	0	0	0	0	0	39199	0	0	1355	0	0	Unclassified	0.6363636	2.0	0.0
12	C11 H22 O7	267.14383	267.14438	0.07149558	267.14386	0	0	0	0	0	0	0	0	0	0	2686	0	0	0	0	0	0	0	0	0	0	0	0	0	1247	0	0	0	0	1008	0	0	0	0	0	0	0	0	0	0	0	0	809	1177	1700	0	0	991	0	0	0	0	0	1403	0	0	0	0	0	0	0	0	0	0	0	0	1237	0	0	0	0	0	0	1313	0	0	1786	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1107	1045	0	0	0	0	0	0	0	0	116673	0	0	1122	0	0	Unclassified	0.6363636	2.0	0.0
10	C12 H18 O3 N4	267.14517	267.14557	0.061123952	267.14517	0	1490	0	0	0	0	0	0	3097	0	0	0	0	0	0	0	0	0	1554	0	0	0	1023	0	1269	0	0	0	0	0	0	0	0	0	0	0	0	0	1891	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19123	9907	1589	0	0	0	0	0	6581	10755	0	0	0	0	0	0	0	0	0	0	0	0	0	707	1053	0	0	0	0	0	7226	713	978	0	0	3686	0	0	3234	0	0	0	0	0	0	24043	22110	0	0	0	0	1334	0	0	0	8395	Peptide	0.25	1.5	0.33333334
6	C17 H18 O1 N2	267.1492	267.14966	-0.015810393	267.1492	741	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1087	0	0	0	0	0	1837	0	1482	694	561	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	991	0	0	0	0	0	0	0	760	0	0	1174	0	0	0	0	0	0	0	0	0	0	762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11622	0	0	29103	0	0	0	947	0	0	0	0	0	0	0	0	5996	0	0	544	0	Phytochemical	0.05882353	1.0588236	0.11764706
16	C17 H18 O1 N2	267.1492	267.14938	-0.102750525	267.14917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5523	7125	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1916	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2314	0	0	0	0	0	0	0	0	0	0	71015	9098	0	51086	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3990	0	Phytochemical	0.05882353	1.0588236	0.11764706
2	C12 H23 O1 N2 S1 Na1	267.15015	267.15054	-0.10681686	267.15012	963	0	1271	817	0	0	0	0	0	706	2814	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8610	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	666	1080	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20138	0	0	0	0	0	0	0	0	0	0	14821	5317	0	11083	0	0	741	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.083333336	1.9166666	0.16666667
20	C15 H22 O4	267.1591	267.1594	0.046999965	267.1591	986470	1040546	1046074	878617	1190422	1011889	1433879	972736	792607	922872	604261	586891	1292738	1346467	855752	1277497	1054161	1335729	1380157	1270624	1163815	957263	618384	778587	780521	531605	1466816	722153	1290589	1030248	895292	1232917	1322329	1155615	872235	1193410	1414145	662560	1050310	529853	545918	899607	103740	29273	27241	646914	650913	35322	1112788	743437	982739	1020712	1014040	40900	957489	967754	655371	1385909	609842	639008	1198622	344775	1075781	839624	758871	1272817	1141816	1064007	295507	460355	469110	818105	1010552	1155904	1175176	1093044	25259	589480	794237	882174	490096	458345	1518466	1196637	982705	738783	1018184	826839	931300	1552836	1592549	1453343	1400298	675249	865034	45091	1008672	1074027	789711	1177708	1422637	1439244	600882	909087	560642	1024643	911884	31745	757535	1062397	Lipid	0.26666668	1.4666667	0.0
24	C15 H22 O4	267.1591	267.1594	0.09508302	267.15912	194284	193870	174206	197856	247681	178999	347881	190447	188182	128825	97559	140894	249885	256087	218789	237104	232104	251584	296711	163229	142319	148431	179213	182331	189189	86458	288406	139020	219287	218145	181943	233893	244156	186950	146906	238163	265396	186238	259838	99505	91228	143164	44416	24135	42266	117989	95877	28414	239872	179467	190925	171781	189392	38436	246944	202452	139248	267871	136702	110743	254207	73024	221028	167769	168634	272694	222772	221026	61945	92240	88554	147943	166272	217280	170402	201222	39274	153250	206785	136764	161421	113836	234802	154215	227095	154287	251981	128176	183412	286008	318734	274752	284918	91496	133048	29542	193663	189552	174830	209313	238900	267534	134530	179356	126611	201786	173149	25713	230143	216471	Lipid	0.26666668	1.4666667	0.0
22	C15 H22 O4	267.1591	267.1594	0.070012406	267.15912	622343	612318	549147	628842	753445	678652	935671	769609	574317	493489	299218	363214	691718	783097	632201	725604	548626	900249	697193	611050	534680	496527	431010	464779	641506	227460	823178	412823	1068657	958744	745705	851772	841723	745668	460273	915134	807749	600722	566623	254184	255950	541720	75420	32511	32395	355202	321684	36576	1013002	646101	612198	582387	632803	41846	718493	605527	470764	807686	391123	334045	718685	190503	683378	526010	499342	824241	846569	526241	139281	232151	224039	608204	711603	696492	448348	837976	28942	388771	570057	386202	416102	325133	794460	486882	624504	570707	764533	502676	680613	769998	996766	935683	744605	326565	484748	43894	540281	643630	519606	890050	930075	878055	393888	524725	373186	607227	596426	30739	637393	689584	Lipid	0.26666668	1.4666667	0.0
4	C11 H23 N4 S1 Na1	267.16138	267.1618	-0.13320027	267.16135	572	1181	843	872	0	795	840	992	0	0	0	0	328	0	894	1630	2298	0	639	0	0	0	583	861	796	0	904	0	1470	983	947	1351	1209	1189	0	1185	1420	510	1782	0	552	0	0	0	0	0	0	0	1033	864	735	0	0	0	304	0	0	1598	0	0	0	0	0	0	0	0	529	2838	0	0	0	1687	582	864	2644	1003	0	530	851	20189	433	0	0	0	0	0	835	0	684	1078	14298	2929	0	1079	0	0	904	1024	0	0	0	1232	429	0	0	938	0	0	0	0	Organosulfur	0.0	2.090909	0.36363637
0	C12 H23 O3 N2 Na1	267.1679	267.16837	0.7824193	267.16812	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43223	1540	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3168	0	0	0	0	513	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31455	0	0	0	0	0	0	0	0	0	0	15790	3615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	399	0	0	Peptide	0.25	1.9166666	0.16666667
14	C14 H22 O3 N2	267.17032	267.17065	-0.010470477	267.17032	15930	12007	16150	8867	7878	4014	17890	8027	1608	8973	6033	11430	1643	2116	10509	18056	28944	4693	9425	7487	6877	17196	7882	17001	11382	4107	17754	0	13113	10640	10885	15801	17414	17133	7044	14468	16104	11250	33481	8945	23200	7114	0	0	0	12576	22677	0	17943	13164	11361	11081	6361	0	3602	0	3986	21928	6812	26312	0	4837	1605	2675	2820	6265	4798	42293	0	3901	5681	13394	12189	9877	26777	15016	0	8932	11797	0	12765	10680	14224	10200	3415	4249	13150	12148	7604	44725	21493	16292	27208	10526	10578	0	15899	14386	1858	2745	1678	16587	11319	15282	0	19269	5440	0	17704	3442	Peptide	0.21428572	1.5714285	0.14285715
6	C14 H22 O3 N2	267.17032	267.17075	-0.002526567	267.17032	42115	45463	41393	46491	18334	15869	45073	52641	16914	48235	21118	26794	15609	12027	25438	55980	70887	26576	34886	48506	50108	64406	24643	55157	33522	25922	41111	24892	50513	49785	46339	62449	62983	65776	63912	52882	65664	32742	97723	33937	38634	19644	0	0	0	35573	30380	0	69674	41598	48730	43762	21068	0	19836	7379	9472	59151	4254	11023	61863	19401	16715	11541	9846	20684	23748	99900	22157	44209	53249	51699	50746	56771	68376	47167	0	22736	28532	24346	24215	10535	12505	29703	11796	12206	38544	21716	25765	92718	54586	42460	92290	25637	42775	0	41237	38306	9056	7626	9271	56032	24762	43846	15395	57130	10952	0	30464	22686	Peptide	0.21428572	1.5714285	0.14285715
12	C14 H22 O3 N2	267.17032	267.1707	-0.01209665	267.17032	47906	58560	60007	50345	8687	4862	157927	17455	4802	11936	8404	31632	3519	1904	29848	34469	48954	5605	15464	16599	13519	51421	26872	27043	362357	7000	203004	0	16371	18443	15849	20123	23066	16221	17745	17929	19686	38050	60276	17505	23167	8935	377	0	0	20688	34823	0	20434	17055	53581	59883	7684	0	5990	2502	28958	26612	7978	18650	17197	8968	3988	4371	22264	7444	9253	82541	0	10815	12434	15768	21541	19163	44366	17923	0	17447	119378	69727	64446	16141	19719	18011	5887	24131	184216	13741	9559	1389687	42244	26633	1230206	26885	30510	0	57797	64923	6779	3729	3323	32555	30797	20673	0	68648	6155	0	379566	8306	Peptide	0.21428572	1.5714285	0.14285715
10	C14 H22 O3 N2	267.17032	267.1707	0.024115372	267.17032	21979	19913	21085	15392	10084	6117	17104	30454	5971	16225	7026	16407	3200	4109	16803	37431	31355	9547	11263	19114	21104	31006	12792	30401	14233	9635	26506	9041	23516	24547	21824	28213	28749	22654	22550	26468	31881	15054	34990	21392	33848	10616	0	0	0	36736	28278	0	28369	24874	21949	22951	9172	0	5467	1571	4700	27588	12031	23408	33626	12275	5386	4195	4487	7196	8194	37882	0	10534	17220	27911	22681	28420	31826	23260	0	15375	16267	16483	17218	18135	15748	16231	3570	4545	19680	11425	10437	40142	37059	27348	40413	23361	47162	0	21710	20141	1327	2409	2817	26888	12431	32409	18108	26350	6091	0	19421	4686	Peptide	0.21428572	1.5714285	0.14285715
24	C19 H22 O1	267.17435	267.17465	0.08969508	267.17438	59706	77501	61856	61887	56794	36293	58360	97112	43131	39623	46443	70003	42519	57321	68060	139222	171263	39640	68260	43588	44863	55518	65715	94028	72205	83070	62441	52276	94533	118199	73490	111257	90869	82538	41112	116920	79755	59750	163766	40246	58195	87799	3099	0	0	46898	42107	0	103414	114206	59106	65312	52678	0	46099	49066	42961	109011	37357	49311	111561	27499	34767	37101	37416	55304	65575	161101	60746	65359	80071	67674	74305	104300	105150	115923	0	61540	83294	50872	64897	38128	43584	36745	56451	45786	110328	56159	54765	168081	64189	44153	114034	40240	41977	0	62657	69173	64813	69038	68655	116454	60523	69489	32763	89540	55423	0	83682	32248	Phytochemical	0.05263158	1.1578947	0.0
28	C19 H22 O1	267.17435	267.17468	0.106320485	267.17438	8128	7580	8654	8695	9100	4533	7879	17933	6086	3233	4089	9052	7065	10413	6613	12998	13654	7070	7998	4419	3829	5750	9167	10733	11344	5810	8632	4419	16934	20822	14131	15175	13715	11037	4155	21128	12623	7713	12086	3235	5755	10441	0	1384	0	5438	2155	1249	12954	15657	7486	8013	9361	0	6117	8191	6935	17744	6419	4218	12835	2321	4506	5270	2786	7113	8418	15815	6003	5377	4891	8851	9973	19804	10082	16884	0	8018	12505	10396	8963	4491	5523	4207	10873	5640	23974	6504	7890	17854	6311	8234	13462	5315	3698	0	7644	9306	7390	12850	14369	16937	8880	8616	0	12510	6916	0	10436	4060	Phytochemical	0.05263158	1.1578947	0.0
20	C19 H22 O1	267.17435	267.17465	0.046194483	267.17435	31824	37256	26664	30187	27537	15192	43247	35633	18177	16911	16986	33880	17551	19511	33360	57432	92191	15620	29414	17936	22245	19150	25391	35430	33591	28681	42277	13232	41046	35288	26794	44055	39573	32808	13574	43038	40732	30519	83410	16101	25632	23255	1020	0	320	11959	24499	0	37848	34564	29779	34114	19012	302	17301	24893	24655	47627	21312	34965	36760	11223	14975	15041	20300	21106	21112	94582	20254	26128	35404	24807	28184	35230	79204	39054	0	22598	51852	22528	34585	12060	26643	7912	38156	26132	50562	23343	22057	90512	37242	23180	46707	17282	17117	0	33065	30085	35203	38288	41821	54262	29825	26780	13861	33369	23295	0	40555	15173	Phytochemical	0.05263158	1.1578947	0.0
22	C19 H22 O1	267.17435	267.17465	0.074714325	267.17435	48001	56987	41128	44986	43704	26780	50348	70245	34831	21948	29315	48193	29608	66369	48859	92707	115945	31216	37488	28702	36291	42196	47560	64693	62207	48639	61250	27718	65396	65173	55323	75753	64435	58226	27791	69092	53833	48099	122557	28047	46238	37715	4096	0	354	29298	35980	0	68113	69127	51756	50222	44382	1104	37610	43983	40893	80735	27485	41782	71707	15611	37648	33459	28536	32742	44699	128574	44280	46283	62559	52096	47796	59980	89012	78183	6053	41212	77072	29565	49403	30785	35616	26082	48616	40764	89477	44447	44495	129374	53919	44249	81340	26774	39825	0	40843	55826	61249	62922	55767	89887	46993	50121	20520	59957	44891	0	67082	20458	Phytochemical	0.05263158	1.1578947	0.0
18	C19 H22 O1	267.17435	267.17465	0.026536228	267.17435	17883	20591	15036	17380	9075	6541	24168	20417	10047	5578	8269	13626	6846	11304	13774	29623	48563	5923	10605	10947	13910	14139	12406	26492	17241	10627	25192	9663	13838	20157	19713	23048	30662	10032	6281	18503	19407	16037	58351	8839	17378	11548	746	0	0	7317	10428	0	21093	22860	18814	16037	9944	307	9742	7874	12184	26109	9145	21750	18824	5962	7840	6962	12914	10798	12844	61801	13036	8049	19502	12839	13503	19097	40833	19670	0	11500	32934	12226	23421	10834	15982	8410	22827	12025	29844	13932	13693	57284	17142	13655	25989	8648	9633	0	16507	15485	19468	23169	26445	28317	15187	17069	6941	14974	10693	0	29144	3618	Phytochemical	0.05263158	1.1578947	0.0
26	C19 H22 O1	267.17435	267.17468	0.14381167	267.17438	36132	37406	31055	30409	31814	21897	27596	53745	27368	18246	26334	40788	26157	36215	39564	55996	66033	19964	42629	23684	25881	31310	28016	43986	40608	52126	28333	29299	51987	71223	49657	53148	48554	45020	23722	71761	44695	38021	56435	28722	30628	53707	0	0	0	16511	17459	0	54251	60718	38559	38517	30805	0	29424	30384	25651	59983	20969	19915	55033	17222	20745	24961	17832	31586	30515	68286	43330	32919	34907	30846	38703	75398	50308	61754	0	39691	49799	26120	29601	19951	26846	23419	39968	29107	64615	33488	28122	69091	30827	28948	58852	25053	27141	0	33112	37715	42444	48692	61606	68650	35149	35149	19380	43216	27984	0	42285	18529	Phytochemical	0.05263158	1.1578947	0.0
16	C19 H22 O1	267.17435	267.17465	0.004844583	267.17435	5817	10825	9088	7611	3771	4461	9390	6338	4618	2325	1920	6761	4006	4006	8313	10720	24995	4138	3472	3697	2221	4770	5436	7516	7298	5512	12432	2940	7484	9375	8088	8858	9682	4973	2949	8309	7137	5478	22260	1773	4493	3996	477	0	0	3933	4440	0	8382	10040	6358	8273	3184	259	3720	3735	4653	13674	3225	8784	0	0	2863	3307	3661	3884	5216	23671	0	4107	8835	3510	5239	10291	17839	6276	0	5832	9718	4288	7622	3337	7373	4251	7168	5508	13564	4027	5930	30484	6765	3476	0	3629	4295	0	3549	5964	6609	7021	11112	10288	6864	4368	0	0	6130	0	11342	4071	Phytochemical	0.05263158	1.1578947	0.0
26	C16 H26 O3	267.19547	267.1958	0.1005454	267.1955	103068	92089	87928	94724	87714	66274	275658	87217	66910	102584	358035	50692	62289	170779	112859	79414	87467	67851	77177	93460	107315	74887	52053	62341	80729	63428	240136	676614	88007	82106	72884	80582	75065	75631	126988	92100	66711	107032	94465	58693	70179	88111	64208	48774	67371	72923	95364	42393	86052	64678	107533	102041	79927	66146	81068	62711	81921	102835	87144	80820	99677	68041	69807	52473	125098	109832	145265	95658	51573	46169	49701	57077	62679	82490	73633	88764	62743	57816	61540	500400	51130	730029	135606	98226	73339	76885	102034	54987	71477	85294	364095	298781	97138	137831	105007	50774	96662	114069	103972	53543	84122	99168	53935	96858	475692	66010	99766	46868	80292	52912	Lipid	0.1875	1.625	0.0
16	C16 H26 O3	267.19547	267.1958	0.055209644	267.1955	6795	9654	5068	5943	3434	5845	28977	4872	1399	1828	3392	3014	4979	16784	5395	10183	17899	1865	3685	0	0	14603	4200	5076	7157	9837	25596	4234	6251	5497	4695	5229	3858	4008	0	10630	3842	3234	19568	0	1713	6412	1961	947	779	1845	1479	743	8090	5358	3450	5656	2954	1373	0	4020	4367	13031	0	1813	6297	1598	5278	1873	8600	5431	9682	12796	0	1640	2045	2767	5937	11219	12883	8343	723	2447	7843	34618	3184	3383	44066	44660	3249	6361	10634	4309	3054	49275	23914	9904	0	4784	5682	1338	6362	7768	4414	7029	8883	9918	3488	2170	0	0	4430	880	7394	0	Lipid	0.1875	1.625	0.0
14	C16 H26 O3	267.19547	267.1958	0.05134477	267.1955	2663	4307	3368	2655	1186	1409	7272	2966	0	0	0	1333	1514	3959	0	3208	3811	0	0	0	0	0	0	3310	3483	0	7637	0	2053	3111	0	0	0	0	0	1809	0	1433	5322	0	0	0	0	478	594	0	0	642	0	3091	2550	0	1437	1076	0	1091	659	7740	0	0	0	0	1724	0	1999	1915	1677	4042	0	0	0	0	1788	2297	3974	1532	600	1049	2079	0	2182	1063	9740	8665	2368	0	4827	0	0	41125	4859	4049	12912	0	0	586	2474	2776	1546	3585	5095	0	1202	0	0	7883	1484	558	3722	0	Lipid	0.1875	1.625	0.0
22	C16 H26 O3	267.19547	267.19577	0.048441716	267.1955	178965	177962	166335	191810	147640	168892	1260885	138962	65586	110057	143014	77572	89499	677667	97416	169185	221744	123216	165735	118425	102151	114036	71445	94533	105956	244399	1282713	233649	146234	139561	101913	160602	161210	123600	92489	159749	130380	98671	222015	69313	193049	184634	111033	25714	29235	125235	221614	28153	164759	136555	192153	169481	114260	62641	67557	106761	126133	188734	62496	179318	228384	64206	187190	59234	418765	215787	326097	257169	82716	102002	158521	89215	108210	146686	165530	156942	36641	67683	82532	705720	52297	168147	526246	663336	104328	116045	152164	132743	153494	290119	722026	495206	209345	136885	153295	39576	155595	200145	177828	89058	106271	162352	73396	154603	147403	156997	114676	20961	109409	115147	Lipid	0.1875	1.625	0.0
24	C16 H26 O3	267.19547	267.19577	0.052192934	267.1955	308000	310444	292135	305897	288066	259566	1011579	214667	154145	307191	453293	139633	180549	986132	248926	287720	300966	209246	276329	304328	290757	232609	153688	191621	254786	198781	827132	883990	260641	230417	169773	265464	304704	228162	277374	277408	209746	215898	296392	144123	287454	259803	176665	54991	107491	262646	472824	65016	299136	212185	315274	300167	209141	140650	184733	167641	196473	317598	220176	256688	338657	153903	254618	140100	546844	367827	511161	368463	138072	128613	203321	151386	189220	258004	229360	255177	128512	161998	182266	1056840	144668	731309	467215	418046	198576	227543	380100	177383	237267	452529	1336407	1057761	402512	297622	289880	83075	305495	350417	278901	122325	215187	259240	131292	272630	616275	283829	250733	61717	252906	191232	Lipid	0.1875	1.625	0.0
18	C16 H26 O3	267.19547	267.1958	0.05051489	267.1955	24903	33514	29811	30010	17527	19877	197948	25509	9123	9847	12262	11174	19917	100261	17111	36431	48204	11984	13206	9652	4659	17932	10831	17053	20384	55082	204140	29344	21183	19334	16406	26006	21596	16343	5730	27028	11608	17571	45219	2941	14388	25396	6292	1583	1775	10531	13309	1828	28768	17669	33318	27291	21378	3298	7770	15643	19471	37706	4983	18076	40313	4809	36395	7221	59884	24008	46621	51460	8681	10332	24856	14521	16025	25830	46643	25861	1865	7719	15018	132094	8111	18088	185006	224976	16175	18446	35142	24155	16171	115266	89792	57971	39904	23270	13946	2894	31537	32051	15252	18035	28841	22297	10932	10856	8296	26143	12081	1833	22176	11071	Lipid	0.1875	1.625	0.0
20	C16 H26 O3	267.19547	267.19577	0.073457465	267.1955	67739	61712	68956	57046	47875	55227	388697	66033	21513	35781	36436	30369	42411	202758	39618	77311	93787	33580	37485	31317	23343	48047	29689	44678	47942	97550	422860	72478	68329	59646	44991	68689	55369	52026	19415	74778	51510	36285	102257	23889	41043	67957	17759	5604	4167	40156	51029	5899	74671	66519	75061	60744	40539	12665	24499	44462	45524	78373	16660	58978	85203	13011	72429	18976	105242	74410	109728	100927	30741	31767	45390	40252	48592	72762	99050	65230	4739	25326	41272	196545	22519	41264	303622	339173	48115	49349	72267	69604	44597	153408	213326	127900	87757	36509	43138	7885	60393	73469	43587	56110	67240	64585	31436	48449	27708	61970	40844	5502	46408	45711	Lipid	0.1875	1.625	0.0
6	C15 H26 O2 N2	267.2067	267.2071	0.046683576	267.20673	2095	1527	2509	1678	755	518	1562	2082	0	1737	0	1487	1828	19786	859	4334	2334	0	868	2951	2095	1689	1702	1928	4220	555	1434	0	1654	1289	1429	1676	1055	2026	2106	2152	1868	891	3007	0	0	974	0	0	0	0	1311	0	3068	1679	1779	2190	728	0	0	2022	406	6061	0	0	3630	0	0	0	0	0	997	3816	0	0	0	874	2129	1419	1757	1325	0	891	2735	0	1034	0	0	891	0	0	23716	1268	1035	19930	7645	0	5645	0	2504	0	2439	1821	0	0	0	1247	808	1449	0	2907	0	0	3646	0	Peptide	0.13333334	1.7333333	0.13333334
10	C15 H26 O2 N2	267.2067	267.20706	0.048324537	267.20673	3997	3992	4133	1982	13833	1818	1722	2727	0	1325	0	1119	0	3920	1213	4816	4708	60133	5482	1503	0	0	1796	6798	2014	0	1704	0	4275	2671	3891	3279	7508	10230	2177	2978	4825	1021	3233	0	0	1166	0	0	0	0	0	0	3644	1716	2692	3304	109632	0	1852	0	0	7647	0	0	0	0	0	2003	849	11838	4360	6829	0	1420	0	6518	2548	1785	3196	2272	0	1200	1363	0	1514	0	0	0	0	704	2733	8015	2383	11059	0	0	8766	0	0	0	2850	1753	0	0	0	8217	0	0	0	4064	0	0	1235	0	Peptide	0.13333334	1.7333333	0.13333334
24	C20 H26	267.21072	267.21103	0.075923115	267.21075	9371	12389	10362	12555	4369	2145	11844	17365	1739	0	2869	9257	0	4462	14349	38770	34298	1730	3909	3637	0	17948	18643	24430	24959	4016	13002	3003	6826	11250	7777	13306	7413	7333	0	18016	7264	15750	33282	1044	2329	3124	0	0	0	3432	8747	0	5865	18177	11208	10868	4560	0	3697	6181	4303	33304	4369	9861	25251	1925	1459	1931	4397	2547	5738	41144	2113	2249	2694	4174	3742	9236	32176	11099	0	6778	31801	14419	23264	8788	6396	3340	4542	4246	44672	5583	4540	123270	18016	11993	78256	4620	7065	0	10139	11092	4046	7478	8192	14019	7766	4276	5870	18136	5850	0	29138	1517	Phytochemical	0.0	1.3	0.0
22	C20 H26	267.21072	267.211	0.13827592	267.21075	4790	5000	3509	4002	1290	0	4020	5938	0	0	0	2623	0	0	7494	12557	16285	0	0	0	0	3705	6943	3682	12515	0	5620	0	1708	2943	2345	0	1292	1190	0	7235	1595	5394	12229	0	1776	0	0	0	0	1823	5443	0	0	6671	5096	3446	2127	0	1832	4973	4327	8539	1197	2663	6889	0	0	0	1961	0	0	18614	0	0	0	1144	2528	3323	13933	2936	0	3064	20163	3918	8663	3657	2504	1649	8619	3544	23124	1401	0	84623	4751	5087	33359	0	2248	0	3303	4395	2356	7869	5197	1941	1926	1648	3412	8557	2634	0	17740	0	Phytochemical	0.0	1.3	0.0
26	C20 H26	267.21072	267.21103	0.109566346	267.21075	16753	17010	13551	12266	6026	3341	13058	23580	5550	2266	5153	12732	0	5955	15840	45828	24066	0	6139	0	0	26049	24207	30818	34907	9845	13272	9389	10825	17735	12417	24062	12769	15204	3275	26810	11448	18080	29077	5205	7738	0	0	0	0	10278	0	0	11924	24068	15555	14361	6661	0	5596	5704	5592	59397	5384	7178	44874	3808	2718	3581	4972	2764	7720	34558	8126	4791	4996	7977	9549	15229	32081	15232	0	11322	31614	17706	20422	9266	9905	5119	7142	0	48133	7149	4869	93102	27146	19879	106024	7899	9472	0	15363	18321	16720	12623	11220	22650	11637	10920	0	30469	6746	0	39207	2205	Phytochemical	0.0	1.3	0.0
20	C20 H26	267.21072	267.21106	0.19250701	267.2108	0	0	0	0	0	0	2511	1887	0	0	0	0	0	0	1577	4351	4692	0	0	0	0	0	1404	2604	3003	0	2127	0	0	0	0	1512	0	0	0	0	0	2251	4478	0	0	0	0	0	0	0	0	0	0	2346	0	0	0	0	0	0	0	3174	0	2251	1983	0	0	0	1229	0	0	7825	0	0	0	0	1133	0	3415	0	0	0	4489	1604	1839	1315	1366	0	0	0	4891	0	0	39190	0	0	7951	0	0	0	0	0	0	0	0	1526	1494	0	0	1550	0	0	7012	0	Phytochemical	0.0	1.3	0.0
28	C20 H26	267.21072	267.21103	0.061312295	267.21075	3269	4384	3998	3261	1866	953	6469	5971	1784	0	3422	3163	0	2513	4086	10069	7534	0	1723	0	0	5502	6317	5984	8110	2569	5684	5162	6214	6588	2851	9682	5987	6615	1509	13843	3370	5539	8401	1773	1251	0	0	0	0	3370	0	0	2927	6436	3813	4098	2444	0	2376	2432	2168	11304	2348	2241	7897	1376	805	1104	2076	881	2500	12341	3557	1564	1741	2047	3737	5216	12038	6158	0	3771	8786	6568	7473	2234	2423	0	2439	2871	19043	2435	1840	21165	4110	4247	17832	3502	1961	0	3117	5048	2509	6356	7253	6729	2881	2545	0	7460	3904	0	8964	1074	Phytochemical	0.0	1.3	0.0
24	C17 H30 O2	267.23184	267.23215	0.084208004	267.23187	81016	74124	65476	73694	8237	28940	591781	17899	5620	13562	54541	8686	5795	293383	13472	18856	24779	3603	11530	16097	10945	12194	7863	10922	13223	80249	580746	220117	17318	10536	11310	17555	10187	17365	10831	16319	10363	17494	34399	8900	37045	23290	22991	5320	11062	20938	39918	5988	16490	17654	73419	63349	6939	17043	5582	32562	35147	24218	9960	43960	44920	12997	72091	4556	195765	15764	41103	29434	25031	28890	29795	10984	7203	12412	15659	14501	12911	8385	11507	940351	7272	48042	125926	206840	5178	13168	19073	18987	22891	23192	1331860	1340151	13093	193782	45159	10251	77168	94997	45890	5438	16849	9740	16621	44531	19128	10649	9756	7906	15621	25175	Lipid	0.11764706	1.7647059	0.0
22	C17 H30 O2	267.23184	267.2322	0.12085271	267.2319	13996	14295	9967	11352	0	4595	551645	2181	0	3188	12989	1372	0	76733	2600	1838	6096	0	2058	0	0	1600	0	1786	1623	67670	548559	16903	0	1717	0	0	0	0	1737	2997	2345	4342	16429	2141	22212	6956	8291	0	1245	3530	12314	0	2825	2159	10034	11165	1509	1920	0	11712	12453	0	2781	26376	18742	6981	17000	0	75464	0	7446	9387	13835	13889	17374	0	0	1478	4101	3325	1592	0	1511	26709	0	17634	109628	292983	0	1470	2097	4674	3145	7436	19804	13517	3507	4352	8112	0	10342	15952	11723	0	0	0	0	12862	7966	0	0	0	0	4596	Lipid	0.11764706	1.7647059	0.0
26	C17 H30 O2	267.23184	267.23218	0.092447504	267.23187	53421	47345	56357	44990	22846	38478	536334	30713	20932	29151	83577	27076	15629	245295	58057	28011	46630	13910	31118	44628	35046	26490	24410	25110	36938	131231	506792	210578	36666	31754	21882	26120	24429	29226	26301	39998	23940	58839	49434	27970	59406	55734	45666	32800	47444	36648	57130	25408	31553	29717	50252	49149	22519	48828	22023	63787	77310	31181	38236	66273	76274	36169	84925	18654	358876	25572	67850	43714	58703	51274	46080	20288	23757	27831	29206	32186	53032	26739	31756	309189	26866	93125	119574	124338	31155	41948	44824	97606	33652	29879	152663	119359	27381	53693	41466	33045	58350	64872	63729	22848	64608	25874	27534	81954	71012	20363	32407	34089	44247	25617	Lipid	0.11764706	1.7647059	0.0
26	C18 H34 O1	267.26825	267.26846	0.07507693	267.26825	2005	3153	0	2060	0	0	54230	0	0	0	14144	0	0	34055	0	0	0	0	0	0	0	0	0	0	0	10408	58620	12884	0	0	0	0	0	0	0	0	0	2531	0	0	3051	0	0	0	0	0	0	0	0	0	0	2765	0	0	0	6341	4470	0	0	4856	5562	3392	2341	0	66302	0	3101	0	8247	0	1729	0	0	0	0	0	0	0	0	18032	0	3662	5817	12171	0	0	2206	0	0	1342	10162	4962	0	5989	0	0	3261	0	8858	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.055555556	1.8888888	0.0
12	C11 H9 O7 N1	268.04517	268.04556	0.12277763	268.0452	2106	4268	7303	5871	15415	11016	0	2129	13086	0	0	2600	16958	6111	4218	3903	2353	16852	16479	1451	1327	0	7407	4619	1290	0	0	0	1997	0	2992	3502	5415	1626	0	0	4542	3115	3364	0	0	8861	0	0	0	0	0	0	2388	0	3812	5077	11420	252	13544	6318	5225	4621	0	0	0	0	32974	18505	6296	19889	10758	0	0	0	0	1429	1735	1034	2351	1309	0	2396	4698	0	3963	0	0	0	8180	3460	3931	13283	11173	10932	0	0	6798	0	0	0	6110	3404	8933	9308	6847	5717	3789	0	0	5731	3368	0	1319	42605	Phytochemical	0.6363636	0.8181818	0.09090909
14	C11 H9 O7 N1	268.04517	268.04553	0.059713718	268.0452	3239	4082	5954	2069	12648	5694	0	2153	9959	0	0	4484	15516	9594	1424	0	3215	16999	11142	0	0	4899	3812	0	0	0	1440	0	0	0	1455	0	5364	1290	1965	1490	4217	2241	3560	0	0	4624	0	0	210	1496	0	0	0	2086	2471	3953	10034	252	7999	4452	4610	3992	0	0	0	0	24259	13345	5018	15794	8753	2380	0	0	0	1476	1165	0	0	0	244	2746	4193	0	2418	0	0	0	8707	3292	4402	9957	12089	6866	0	0	10777	0	0	0	4516	2170	5574	10918	7259	2783	2261	0	0	9789	3414	0	1789	31786	Phytochemical	0.6363636	0.8181818	0.09090909
16	C11 H9 O7 N1	268.04517	268.04556	0.14712743	268.04523	1908	2386	2016	3153	6921	5126	1156	0	5702	0	0	2065	6070	5851	2230	1825	2460	9850	6369	0	0	0	2693	2713	0	0	0	0	0	0	1200	0	2692	1518	0	0	0	1547	3686	0	0	3262	288	0	481	0	0	0	0	1033	3227	1427	3943	0	5402	3099	2667	3925	0	0	0	0	17595	8981	2045	8303	4649	3902	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3211	2060	0	7641	5063	0	0	0	0	0	0	0	4133	0	3203	3458	3199	1896	0	0	0	0	3453	0	0	23685	Phytochemical	0.6363636	0.8181818	0.09090909
10	C11 H9 O7 N1	268.04517	268.04556	0.16280289	268.04523	3828	3151	3619	2944	10746	4271	0	1176	9180	0	0	1703	21692	4834	1123	2284	1270	11637	11367	0	0	0	4203	2598	0	0	1368	0	1595	0	1130	1651	3951	1163	0	0	3252	1453	1706	0	0	5380	0	0	0	0	0	0	0	0	2711	5475	7585	0	9453	5815	3692	2986	0	0	0	0	20594	13125	6209	14694	6886	3380	0	0	0	993	0	0	1739	1223	0	1373	2342	0	2123	0	0	0	8108	2989	2469	8602	6227	4170	0	0	6879	0	0	0	2454	2755	5235	8815	5963	3748	1877	0	0	3151	5209	0	877	27736	Phytochemical	0.6363636	0.8181818	0.09090909
12	C12 H13 O4 N1 S1	268.0638	268.0642	0.13704182	268.06384	11878	9427	8296	6089	8866	4064	3256	0	5425	9680	7359	1679	6863	2554	2221	7281	7682	9664	9737	14118	9512	21924	2596	8268	3805	8438	3368	0	3671	3940	2290	3043	6712	3419	9027	2288	6176	5205	5460	16392	34060	2582	0	0	0	12712	13777	0	2583	3017	7947	8184	7963	0	6055	4297	2953	11083	5240	16807	0	10642	5771	4431	1996	6529	2054	7496	0	10798	18784	3403	1453	1520	4975	1697	0	1584	5902	0	3653	8455	7023	13290	5468	3865	5883	6087	4884	8238	25364	37351	15136	19370	36208	0	7231	5071	4234	7846	6564	5533	1650	9292	0	7576	6336	0	4303	9520	Organosulfur	0.33333334	1.0833334	0.083333336
14	C12 H13 O4 N1 S1	268.0638	268.0642	0.18394332	268.06384	6180	10567	10996	10616	9920	5135	3540	3539	3140	7021	5594	4867	6515	2476	2802	9966	5227	9789	11023	4756	6278	21142	4034	4526	4754	4455	2486	0	3605	4444	2750	0	8042	4140	6698	2572	10786	3675	6712	17455	20454	5325	0	0	0	9881	10578	0	5229	0	9969	7110	7083	0	4823	2562	3459	16581	5913	10076	0	7845	4067	4131	2788	7969	5003	9753	0	5911	9560	2927	2555	1318	2533	2654	0	2080	5095	0	3717	7040	9069	13622	5185	2816	5762	5243	6474	20798	27220	36862	12304	18400	26326	0	10921	5446	2590	3668	5082	4184	1995	11366	0	10628	5452	0	4086	7371	Organosulfur	0.33333334	1.0833334	0.083333336
10	C12 H13 O4 N1 S1	268.0638	268.06424	0.2103013	268.06387	6959	6292	8413	7568	7273	5732	1949	3084	5645	14115	4718	2341	7930	3365	2869	5300	4558	9294	13065	10685	14817	22379	1927	5456	2549	9559	3624	2761	3416	3449	1832	1558	5698	3686	11077	2001	6881	3191	8043	22079	25466	5071	0	0	0	8935	16131	0	4124	1765	8437	8217	7323	0	6711	5983	2587	9072	4484	11243	0	11743	6890	7266	1765	9141	3791	10322	10800	9940	16774	1612	1750	1420	3263	2387	0	1013	6504	15189	2644	10807	6381	10015	6275	2340	9186	5355	5175	10940	17159	18931	10070	20896	30709	0	5739	9825	5846	8617	7593	3550	2714	12737	0	8439	6557	0	4736	13677	Organosulfur	0.33333334	1.0833334	0.083333336
8	C12 H13 O4 N1 S1	268.0638	268.06424	0.26338595	268.06387	5389	5203	5174	6985	8431	2664	3019	0	7504	9791	5031	1615	11215	2015	1821	5606	2370	9138	8992	7833	8836	14835	2857	5517	2483	7784	2992	2272	2391	0	1690	2481	2380	2493	14219	1710	3171	1652	5387	11901	20610	3524	0	0	0	6566	14614	0	2431	1461	3226	5792	6061	0	7434	7553	1824	4535	4004	9160	0	8294	7300	5070	0	6317	3178	3922	7836	10474	14149	1499	0	0	0	1561	0	955	3111	7076	2015	5247	5182	6778	4093	0	4897	3032	3386	18856	10385	14001	9218	14909	16789	0	5695	5495	5127	10228	10875	3946	1800	8020	0	3285	6034	0	3431	8135	Organosulfur	0.33333334	1.0833334	0.083333336
2	C9 H9 O5 N5	268.06766	268.06845	0.77768874	268.06784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	302	0	0	0	0	0	0	925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	353	0	0	0	0	0	0	0	0	0	0	32175	0	546	1044	0	0	0	0	0	0	0	251	0	0	0	0	0	0	0	0	0	0	0	1087	0	0	4163	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	968	0	0	0	879	Peptide	0.5555556	1.0	0.5555556
6	C16 H13 O1 N1 S1	268.07907	268.07974	0.780203	268.07928	0	0	0	0	0	634	0	0	1218	0	0	0	671	0	0	850	0	787	1279	0	0	0	0	0	0	439	561	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	737	0	0	0	0	0	0	0	0	0	1373	0	0	0	0	0	0	0	24000	0	0	0	0	0	0	0	0	0	0	0	653	954	496	0	0	0	0	0	0	0	1256	0	0	0	0	0	0	0	0	0	0	0	0	937	Organosulfur	0.0625	0.8125	0.0625
2	C12 H13 O6 N1	268.08157	268.0821	0.16621327	268.0816	11280	10857	8324	9311	25250	0	5872	9795	21974	6088	5819	8796	41057	12097	6733	3036	8377	27407	23918	5954	10041	13086	9002	8701	3258	2069	1952	2580	7712	5516	9888	8372	17020	8811	10371	6319	10985	5972	9049	6701	6622	12212	868	841	1510	5753	5388	1507	8444	5893	8745	10075	20228	1056	24005	19425	10587	10693	3872	5165	5218	3312	51801	25406	8547	34614	14435	9489	4113	3985	4174	8582	8844	5690	2246	8944	897	6369	7599	0	5138	4071	3523	2592	16711	7842	6537	19021	17078	13184	4832	5588	13878	5554	2730	2159	10739	10590	14566	22157	19882	9050	7954	5363	4629	10592	14163	1619	4659	58388	Phytochemical	0.5	1.0833334	0.083333336
8	C12 H13 O6 N1	268.08157	268.082	0.10923705	268.0816	168995	194318	135789	166397	239528	139083	76188	120515	268768	123764	122314	115931	366354	80837	99527	211283	187441	349255	358606	114850	155899	236498	128997	158299	58228	18254	114014	56850	111662	101023	109360	136781	205051	119161	175016	102908	209287	99920	251881	133375	242226	186527	3504	1398	2209	89969	118479	1655	151706	99364	161124	173979	215511	2411	326249	175712	121937	164441	94092	134329	178108	102752	391326	321689	104563	303618	166461	213503	76109	58484	123213	114666	113044	85350	107705	115217	1277	82798	130186	84812	92230	55226	64154	44497	171406	93622	136207	212043	212898	276541	73956	135640	266277	143655	144026	2603	172037	171848	159962	214511	171924	189024	97538	126854	46886	184005	172790	1164	80279	534962	Phytochemical	0.5	1.0833334	0.083333336
18	C12 H13 O6 N1	268.08157	268.0819	0.13582045	268.0816	17492	13895	14708	13171	19460	28093	15097	13776	23141	6183	4569	11816	26467	15310	14093	20283	14912	33557	25399	0	7079	22738	19705	20064	11928	0	13620	3179	17216	8796	14983	15348	28024	18109	3476	10484	26833	12928	15879	7835	10531	20803	3195	2403	3628	6448	3322	3396	15186	12770	14565	11558	25536	3122	19218	11403	12668	24027	4153	6537	28088	5214	32009	19307	10266	29226	21965	19581	2796	3531	3858	12795	11654	11557	9638	13019	2435	11022	23537	13894	16969	7690	4726	1671	12061	12574	17134	27591	26628	27434	11456	11949	30640	12408	11147	3932	16950	15245	12545	11723	11634	22140	12960	6664	2603	22993	12384	2927	15562	35195	Phytochemical	0.5	1.0833334	0.083333336
14	C12 H13 O6 N1	268.08157	268.08194	0.105464734	268.0816	83256	78072	81210	86512	97719	84763	47930	69133	88157	47448	42733	53950	126743	54019	62869	82947	66057	165895	127968	26773	32924	90480	67065	83159	51531	4816	47759	23412	55772	55284	67137	77949	114304	63917	51104	54043	125034	53440	74598	33064	52013	81620	3837	2459	2598	25420	24284	3066	77793	54377	78993	76235	89413	2472	107660	43948	53574	103305	26212	41060	72594	23109	125170	106028	47798	144818	91010	73659	0	13913	24633	60026	57008	49303	56486	59885	2188	52634	66050	40012	58369	20250	28892	17321	61591	50498	70788	99394	114950	127387	51486	64692	135161	41766	45001	3518	74432	66599	45760	53092	55819	98254	60680	43222	0	125345	51460	2520	58748	171950	Phytochemical	0.5	1.0833334	0.083333336
4	C12 H13 O6 N1	268.08157	268.08203	0.075436085	268.08157	27031	30082	23974	30368	46814	23851	11097	19228	57546	19552	19889	15243	84978	21979	14164	21435	27525	68956	59853	19670	30275	34119	19045	20119	7846	6727	11279	6876	13892	14217	18245	15997	26231	15037	28592	13504	27513	13840	37537	22231	33586	32119	2084	1209	1982	17449	27338	1493	18485	15593	29989	24451	38076	1542	59631	53110	24938	24994	14328	23562	24694	13509	97940	63780	23948	60301	26283	30968	18307	12280	20653	13769	14170	13449	10965	14856	1053	11613	16636	6071	12980	11431	10678	7234	50005	24876	18487	36702	38685	30055	14218	14929	35206	17441	20266	3341	23950	30252	41866	64957	55356	28687	14058	22657	13642	22231	42697	1535	10726	117394	Phytochemical	0.5	1.0833334	0.083333336
6	C12 H13 O6 N1	268.08157	268.08203	0.11057066	268.0816	93129	103562	88342	91677	151433	77359	39432	66662	180403	88653	83255	55992	239958	52043	48598	106997	91344	235609	217723	72849	123732	118709	63557	80707	25645	16541	42831	36870	60999	54584	59584	68969	114237	64712	103156	57371	112076	51355	124671	69369	163373	100521	2412	1135	1674	54172	76795	1124	80910	50361	107171	101711	133954	2162	189177	138415	74632	96552	49460	90268	90347	61293	282214	171109	62996	185361	108618	135110	47989	46305	81740	49386	58790	45988	53142	54435	1097	35937	57223	35906	43869	34960	36416	26985	124698	70772	62003	130563	126779	139615	37549	71807	132984	83872	81075	1611	103209	86676	101030	146292	147129	109594	53364	76796	41840	95206	121328	1214	36608	382649	Phytochemical	0.5	1.0833334	0.083333336
12	C12 H13 O6 N1	268.08157	268.08197	0.10632134	268.0816	119906	132656	121298	115910	147023	104843	70641	91768	148792	80195	74238	80170	196387	69049	79828	134482	122790	223135	214245	67451	87330	199994	104911	129200	67374	11311	61784	45324	92534	86855	86834	107537	170461	87711	108452	89580	157902	78274	140213	71196	125799	121064	3479	2309	2445	59304	54559	2483	107525	84320	121822	128382	147859	2626	208125	89182	78140	146368	61119	62269	109362	52583	242357	168311	63749	203310	109612	127340	30331	37662	54085	84954	77115	63488	95221	84731	1459	70137	89485	54694	74918	39741	40164	24064	94265	68696	104648	136942	137276	208493	83746	109137	214319	90418	90410	3472	126921	123277	90118	88385	93042	171939	70781	72362	30200	150221	95959	2095	69492	337731	Phytochemical	0.5	1.0833334	0.083333336
10	C12 H13 O6 N1	268.08157	268.08197	0.106963135	268.0816	175536	177174	160511	148630	229615	170110	83891	153351	245428	124514	99132	117077	339985	81392	107390	214488	160300	388018	335854	100104	135482	228284	143280	158407	86210	19836	120826	77117	135676	114283	126801	140191	265275	146694	135595	118543	257546	111011	219468	124628	178107	164157	5978	2823	3082	78180	86917	1945	145952	108133	175616	189184	220970	3117	311639	154407	99790	223634	100200	124755	220092	82964	298298	282255	95181	300924	171804	219724	69682	53936	94022	132005	119088	101810	139863	123066	1959	95849	144187	85215	107985	55794	69371	30949	173310	105396	161828	211092	208159	266740	91490	133326	288273	125844	149387	2909	182918	154290	144894	165330	152612	214364	112495	127980	53789	208709	160591	2203	91351	467979	Phytochemical	0.5	1.0833334	0.083333336
16	C12 H13 O6 N1	268.08157	268.0819	0.117837675	268.0816	29626	31858	32855	38464	35973	47105	24495	28700	42573	17626	14980	22978	57548	29089	33626	37023	34444	62775	67960	6092	13780	45978	35446	35610	26475	1397	20180	17276	31465	26778	33797	32669	62665	25574	31618	29494	66620	26874	30394	18487	23987	38158	3007	2678	4000	13144	10654	3059	32794	27679	34916	32860	44712	2991	34827	21331	25722	46240	9633	14885	50685	11707	57910	46909	20760	62061	45249	41778	6085	5353	9066	31737	32169	23815	26005	24416	2482	20466	42111	27226	26805	10852	10083	5877	32597	25216	43484	46346	49283	54927	32504	44433	61103	20430	24779	3284	34861	25089	23220	25892	27558	44716	28070	16182	7880	57788	20827	2863	27060	85850	Phytochemical	0.5	1.0833334	0.083333336
10	C11 H13 O5 N3	268.0928	268.0932	0.0490624	268.0928	9366	7291	5581	6675	8735	6542	5550	6573	5900	1341	2106	5957	10058	3661	9139	6737	10101	9892	10524	1990	1635	10067	11017	10447	7989	0	4764	0	5098	4827	6776	7803	12905	7983	3044	6143	9021	4678	12482	2379	1670	5352	0	0	0	3160	2211	0	7568	5760	7054	6963	8576	0	8819	3553	3731	10637	3259	5247	15653	1317	6771	7339	4759	9872	5119	12793	0	0	2016	6234	4934	4815	4801	6286	0	5618	7410	0	5945	2723	3122	0	3188	4738	8806	7922	9914	20735	0	3743	17860	2083	2393	0	8340	5589	3295	2836	3232	9015	5908	4154	0	11686	5899	0	7195	13444	Peptide	0.45454547	1.1818181	0.27272728
6	C11 H13 O5 N3	268.0928	268.09323	0.09645739	268.09283	15801	16111	15295	15495	17129	11334	9359	29028	17721	5704	5182	11490	17788	6181	12244	19604	20895	25449	22982	5391	7628	20112	14751	20641	6115	0	7908	3815	23040	11405	28470	13423	43448	24458	12130	11039	34882	12549	25393	6779	11671	12302	0	0	0	9067	8824	0	16882	12306	13478	14828	30696	0	16870	9882	10681	17259	8532	12048	17744	6963	20393	12422	9440	17604	33100	30974	0	3672	4638	22438	11429	19022	7982	9959	0	8912	12472	4259	9293	4209	5813	1913	15206	11473	14870	18774	33662	38273	4363	14425	37502	6588	4468	0	16623	13382	7936	11001	9879	16895	10383	13343	0	24492	12724	0	10078	30013	Peptide	0.45454547	1.1818181	0.27272728
4	C11 H13 O5 N3	268.0928	268.0933	0.11625595	268.09283	7908	7961	7024	6355	9765	5366	4317	6562	9823	2992	3160	6481	12279	4172	5632	9870	15431	12496	13232	5394	3823	12156	7305	8977	2976	695	4517	0	3985	4459	5378	5285	8282	4791	6091	6037	7281	6532	18366	3973	5723	8148	0	0	0	4044	6951	0	6757	5394	8508	7929	8846	0	10426	10021	6977	9640	4906	9699	9843	3060	15115	10483	7703	11809	5746	15302	1967	1735	2082	5402	5087	2934	3840	4188	0	3621	6409	0	5521	3201	3058	1693	13759	7917	6864	11181	8227	21724	3798	5230	16806	3427	3462	0	7456	7342	8499	10995	10044	7657	5117	6185	4366	11507	9472	0	5485	19329	Peptide	0.45454547	1.1818181	0.27272728
8	C11 H13 O5 N3	268.0928	268.0932	0.060698822	268.0928	15335	13322	12897	13451	11613	8127	9705	12643	12911	4366	4810	10696	15311	4579	10009	20979	19661	17494	21640	5556	5780	22365	14250	25487	10965	0	10544	2427	9976	9100	13494	12627	19091	15488	6042	9674	20081	12449	21037	5919	9933	13025	0	0	0	7251	4995	0	15447	12639	10885	12340	13684	0	15187	7553	9069	16165	6900	9203	19816	4079	18617	16888	7742	16759	12288	21929	0	2989	2726	11981	9276	7735	11708	9989	0	8513	16836	2801	10541	4062	5858	1685	9366	7104	16686	16890	14764	35418	0	7943	40682	5149	6260	0	13039	11029	9444	7046	6069	16525	10729	9679	0	22115	7511	0	12953	24058	Peptide	0.45454547	1.1818181	0.27272728
2	C11 H13 O5 N3	268.0928	268.09332	0.1585018	268.09283	8614	7567	6081	7985	13998	0	4812	7595	16246	3894	4791	8072	21481	4349	6334	1210	10870	17344	17800	3729	7909	15201	7749	7936	2078	376	1366	1824	5846	4053	8141	5891	12199	7067	6529	5779	9154	6692	12455	4675	8443	9537	0	0	0	3563	4355	0	4983	4183	8135	8367	14111	0	17591	8979	8570	9239	4116	6817	2005	3067	28571	16966	10992	20815	10841	14837	2001	2476	3667	7065	5261	4326	452	5157	0	5206	8640	0	6486	2570	2547	2201	12013	7773	7072	17398	13928	19348	0	7451	19626	5086	842	0	9530	8923	9462	10541	10002	7198	5883	5257	3126	11777	9404	0	5675	31445	Peptide	0.45454547	1.1818181	0.27272728
18	C16 H13 O3 N1	268.09683	268.09714	0.08047348	268.09683	4806	2573	3404	2682	1293	0	2543	0	0	2519	13463	1119	1428	0	0	2376	2514	0	0	3765	5416	5884	2287	3109	1739	19897	1956	11838	0	2351	0	2466	3267	0	6620	0	2240	1074	6409	5775	14812	2066	459	0	0	4616	5289	0	3305	2426	3989	2737	0	268	0	0	0	1697	1305	5773	2385	4419	2717	0	1096	0	4650	4082	20427	5572	20938	1842	0	0	3264	0	0	1045	2209	16111	0	4343	1674	6282	1655	1322	1511	2960	1968	7863	4035	3944	5970	11686	8423	0	2072	2227	0	1330	2036	1780	0	2292	2605	0	0	0	1739	0	Phytochemical	0.1875	0.8125	0.0625
16	C16 H13 O3 N1	268.09683	268.09714	0.16497976	268.09686	1672	3974	2273	3236	1306	0	2467	0	1180	5702	6152	0	0	0	0	1761	1695	0	2588	5862	6535	3710	0	2169	0	20268	0	5259	0	0	0	0	2758	0	6319	0	0	1151	2200	5217	11768	2087	271	0	0	1855	4573	0	0	0	2581	3089	1877	0	0	0	0	3679	0	3353	0	1954	0	1156	0	1481	0	2858	15341	14411	26063	0	0	1319	0	1470	0	0	2736	7575	1429	3048	2436	3883	2381	0	3011	0	1934	0	0	2918	0	9430	3654	0	3605	1903	0	0	0	3315	1431	1853	0	0	0	0	1809	0	Phytochemical	0.1875	0.8125	0.0625
18	C13 H17 O3 N1 S1	268.1002	268.1005	0.14834888	268.10022	0	1849	2633	2558	0	0	0	0	0	10795	7318	0	0	0	0	2371	0	0	0	5483	9324	9128	0	0	0	5681	0	7340	0	0	0	0	0	0	9445	0	0	0	2618	8681	19510	1027	0	0	0	6404	12380	0	0	0	2987	5239	0	0	0	0	0	1750	4040	7999	1941	9045	0	0	991	0	1171	1537	4405	0	8614	0	0	0	0	0	0	0	0	12051	0	6259	2846	9015	0	0	2732	1290	2198	2538	20713	18525	0	16811	20583	0	0	0	0	1816	0	1900	0	4217	4643	1593	0	0	0	0	Organosulfur	0.23076923	1.3076923	0.07692308
2	C10 H13 O4 N5	268.10403	268.10455	0.13464154	268.10406	217830	203616	191735	152506	89453	782932	12861	73452	22808	42475	185499	43571	22971	98084	285897	1329	58807	67338	59073	1456	12535	46621	51912	93696	345762	2325	0	2375913	33816	32854	258884	39066	72357	42070	32386	33848	32425	216478	95006	1540	1186	207624	4089	558	0	16626	93354	518	51072	34534	198270	209905	92959	20158	11407	90185	70719	551020	618	1343	14019	567	93568	12882	120751	108211	101563	29137	4445	21488	14213	31660	34316	34736	0	25336	389	74353	48674	456570	41171	0	936	946	113951	157933	89246	91988	73573	152028	0	266662	108616	183001	433	7457	191231	192213	241930	17913	28604	38064	178655	1603	587	204248	38864	740	280836	16393	Peptide	0.4	1.3	0.5
0	C10 H13 O4 N5	268.10403	268.10452	-0.036173318	268.10403	0	1796	0	0	5652	0	0	0	1818	0	0	0	3397	4383	0	229111	0	0	2581	0	0	0	0	4183	0	0	26529	886	0	0	0	3373	2473	3377	0	0	2964	0	1388	0	0	5025	0	0	0	0	0	0	3171	0	2220	1967	10764	0	1427	845	0	0	0	0	41763	0	4416	3241	2081	19250	24523	2057	0	0	0	0	3386	0	5910	0	0	0	0	2688	0	0	0	0	1059	2683	0	8626	0	0	0	0	3596	0	74291	0	0	2071	1877	1023	1009	0	0	0	0	2409	1629	0	1178	3972	Peptide	0.4	1.3	0.5
10	C15 H13 O2 N3	268.10806	268.1085	0.19673811	268.1081	9569	6468	8347	6609	797	2575	9231	13012	0	2129	3731	7851	0	0	5523	25728	29278	1411	1529	1584	2112	5193	6119	30821	11338	2052	13609	0	10387	10920	7569	13182	21827	16339	0	12380	15766	6586	35732	2205	2045	5112	0	0	0	2580	0	0	11716	9452	9019	9179	2877	0	0	0	2530	24174	0	3677	27476	0	0	0	0	1048	4355	34961	0	2518	2370	11288	6584	4914	16096	10102	0	7515	11545	0	8049	0	0	2816	0	2201	12894	9969	4589	105288	0	0	40627	1219	1383	0	6899	6938	0	0	0	22741	7788	0	0	30036	0	0	16890	0	Unclassified	0.13333334	0.8666667	0.2
8	C17 H17 N1 S1	268.11545	268.11603	0.65895474	268.11563	415131	493327	320327	463812	373506	278823	280469	388710	385302	480967	285034	253455	445828	175001	289945	536951	443338	532348	620545	658867	625791	685556	290680	436525	247269	339817	304715	245629	416346	344572	331826	454661	535180	388133	669542	359267	550558	259833	555546	607127	665983	321361	8157	3757	5256	430539	440944	3848	467653	323455	408781	447647	352688	5677	567366	268448	214245	476711	371699	378372	462637	414387	408759	413478	169745	424206	307480	489241	374919	516608	551756	346460	354687	307880	333925	380017	3741	248255	301097	275484	230728	310126	348231	352160	290187	207116	339849	322482	378106	599597	338397	581660	690344	415367	554346	6486	428437	446086	251381	302660	280110	510511	265852	520503	178963	433696	308153	3269	261246	557961	Organosulfur	0.0	1.0	0.05882353
16	C13 H17 O5 N1	268.11795	268.11832	0.10355924	268.11798	146207	154471	142360	134441	140896	145305	121478	152887	106174	81245	58138	94993	163978	77359	137246	226496	162227	235783	226344	94056	98177	176408	137863	230829	145881	21047	111400	73670	177709	154948	174297	209460	291306	183514	99412	179433	292733	98037	184461	80498	84064	154579	7307	6525	8628	87838	64554	7018	216629	150428	164553	150212	160667	6741	123903	84619	74269	262488	80701	81741	224091	48204	121480	110513	53949	180457	158626	162554	22368	40674	43427	166154	161355	137630	119837	159326	6159	105847	126576	101981	87827	50791	75752	50096	72733	82015	154276	179241	187970	237586	152504	169667	299725	74866	98748	8295	136147	143666	79188	71113	91111	269681	98484	102978	36665	233945	93718	6303	122467	199156	Phytochemical	0.3846154	1.3076923	0.07692308
18	C13 H17 O5 N1	268.11795	268.1183	0.12538752	268.11798	33452	34595	31069	32665	39246	39842	31572	42346	24151	22507	14213	21171	46088	26677	37031	43094	34351	49606	55000	16796	17855	51218	32679	54733	27958	4740	23185	20536	40399	31620	36623	33249	48907	36037	20381	34296	55458	27472	40636	22156	24145	34150	6046	4689	8100	18584	12286	5965	42934	22476	31726	35325	40216	5792	35838	23074	23729	53875	17688	17688	39596	12132	37870	27222	17919	48101	34561	38925	7636	6994	5770	31902	26721	26237	26087	34011	6036	20801	38715	28747	26654	17536	20465	14120	24398	25880	44363	41036	33380	50086	48621	46326	75695	20952	26616	6813	32991	27513	20834	28122	27233	47591	25236	27928	9695	46462	22280	5331	28413	47904	Phytochemical	0.3846154	1.3076923	0.07692308
4	C13 H17 O5 N1	268.11795	268.1184	0.03004902	268.11795	172094	201622	169806	174037	187572	118212	96490	162608	172891	132630	100910	246410	325292	76403	108919	359780	348274	511910	481676	167068	184205	206497	115235	306746	67625	57777	104811	70202	156667	139431	167272	181005	228073	165756	195682	180192	225495	104591	917338	140993	358370	152151	5720	3922	5109	131343	158016	4848	196361	144936	177672	139993	171487	4493	390924	190102	97963	371266	100842	296178	178918	92836	460970	362212	76377	209526	128292	370260	84687	86376	105667	138530	165940	184256	156703	331018	2825	101967	195692	54504	87485	85121	89354	63218	160129	111116	102955	175123	186753	346558	105049	120654	396734	96907	129724	8946	155802	190298	124440	207863	211346	240675	122609	163808	90053	163596	160701	4839	73916	589412	Phytochemical	0.3846154	1.3076923	0.07692308
0	C13 H17 O5 N1	268.11795	268.11847	0.006070448	268.11795	18018	19201	19053	17453	29876	15123	6723	26407	25597	17554	9003	12247	34762	15021	10894	7053	17079	38962	33760	16122	30849	25233	13888	15010	8873	7598	3891	7190	32951	11436	18203	18988	37069	24758	26808	24163	30261	8543	18315	21355	13118	28250	2647	3042	4576	13567	6938	2578	24885	14434	17171	15577	31354	3314	25724	22375	12253	29388	10389	8419	16212	8471	38647	27165	17950	30748	31825	18135	9210	15025	11730	19469	26847	17359	5353	23903	3807	10783	8096	5835	6615	6273	6680	5668	14907	12117	7499	23361	28186	11206	13731	17227	24716	9711	8246	4393	15301	22298	15750	23244	23109	23294	9826	14107	7164	27821	24621	3403	6833	55244	Phytochemical	0.3846154	1.3076923	0.07692308
2	C13 H17 O5 N1	268.11795	268.11844	0.0941073	268.11798	114244	113784	96177	104302	331602	112681	73999	101495	239548	86483	77142	89704	342832	82667	58576	83685	113978	180344	156734	89610	271954	242946	60434	77137	33256	23412	51247	45373	125163	98947	109426	129203	180570	128532	252452	118083	142388	49011	84188	193384	178882	110218	3323	2965	4918	58402	112092	3690	126845	70226	98082	107921	277412	4109	243912	164281	59133	114868	41530	119824	71559	39141	390146	275470	53787	422314	126305	134535	39020	57524	57883	99660	137630	122691	90453	116326	2934	64835	56040	26933	43004	38473	36360	30914	215830	113418	58489	267696	282342	89287	65043	86333	108695	119818	47538	6997	103566	115200	83178	156562	332710	129149	75979	156910	38553	107702	235650	3230	48460	546212	Phytochemical	0.3846154	1.3076923	0.07692308
14	C11 H17 O1 N5 S1	268.12265	268.1231	0.101291396	268.12268	3759	1858	3019	0	0	18435	0	4635	0	0	0	0	0	0	0	7164	0	1346	0	0	0	0	0	6140	0	0	0	0	34358	4604	0	11639	3706	94117	0	4356	3624	0	0	0	0	1112	0	0	0	0	0	0	37537	3082	0	3037	0	0	0	0	0	0	0	0	0	0	0	0	0	1482	1598	0	0	0	0	78473	141370	9951	0	3597	0	0	0	0	0	0	0	0	0	0	0	8272	3001	0	0	0	0	0	0	0	2889	2259	0	0	0	3305	0	0	0	0	0	0	0	0	Organosulfur	0.09090909	1.5454545	0.45454547
10	C17 H17 O2 N1	268.1332	268.13358	0.029580653	268.1332	6265	5010	3150	5551	2145	1756	1421	5716	0	12733	19473	2174	0	1791	1745	5889	3498	0	2254	15099	18142	3088	2950	5883	4322	22435	2318	14695	6565	5083	4533	4091	7310	5371	12507	4044	8187	3924	3924	5720	5791	3076	0	0	0	5377	4469	0	6924	4448	5447	5139	1647	0	0	0	1624	8226	0	0	0	1230	0	0	716	2148	1771	8100	9827	16971	17576	4469	4337	4353	5438	5086	0	2192	2744	0	2291	0	0	3832	0	0	2373	2600	2257	12431	10912	0	10823	3798	12472	0	3722	4247	0	0	860	9437	2814	0	0	8049	756	0	2260	1210	Phytochemical	0.11764706	1.0	0.05882353
18	C17 H17 O2 N1	268.1332	268.1335	0.067608215	268.1332	0	0	1768	1983	1443	0	0	0	0	2491	4532	0	0	0	0	1685	0	0	1933	0	0	3346	0	0	1385	20690	0	5942	0	0	0	0	0	0	0	0	1651	0	0	1839	10487	0	0	0	0	2013	2012	0	0	0	2940	0	0	0	0	0	0	2066	0	1622	0	3128	0	0	0	0	0	1826	14692	8499	25275	0	0	0	0	0	0	0	0	3751	0	0	0	3349	0	0	0	0	0	3068	0	0	2875	2005	2963	0	0	0	0	0	0	0	0	0	0	0	0	0	1146	0	Phytochemical	0.11764706	1.0	0.05882353
20	C17 H17 O2 N1	268.1332	268.13358	0.18093722	268.13324	0	1843	2115	0	0	0	0	0	0	4058	2250	1062	0	0	0	0	1318	0	0	1953	1953	2589	0	3219	0	22209	0	5564	0	0	0	0	0	0	0	1427	0	0	0	3922	7796	1459	419	0	0	2517	5553	0	0	0	2254	1650	1282	338	0	0	0	0	0	1782	0	1862	0	0	0	0	1891	0	14971	10208	13693	0	0	0	0	0	0	0	0	4412	0	1606	1634	0	0	0	3863	0	0	0	0	3044	3624	5085	0	0	2115	1758	3790	0	0	1818	1022	0	0	2827	0	0	2294	0	Phytochemical	0.11764706	1.0	0.05882353
12	C17 H17 O2 N1	268.1332	268.13354	-0.042571843	268.13318	3397	3969	4178	4784	0	2348	0	4230	1282	13988	13099	996	0	1805	1654	9790	6602	1320	0	13642	17279	0	1583	7312	3363	26041	2728	11488	4477	4373	3482	4900	3009	2306	10532	1851	3762	2289	4403	2228	0	2550	332	0	0	2468	4632	0	3636	5252	2607	3254	1669	0	0	0	1507	7563	0	0	0	0	0	0	1048	1638	1918	4103	0	16132	17307	4538	3849	1899	3784	4111	0	2448	1652	0	2437	0	0	3240	0	0	1791	3448	2516	19519	5508	0	17695	2854	10367	0	4504	2059	0	0	0	3549	1821	0	0	6256	0	0	2414	0	Phytochemical	0.11764706	1.0	0.05882353
8	C17 H17 O2 N1	268.1332	268.13364	0.038047276	268.1332	6090	4254	5555	4528	1528	1769	2248	7836	763	13729	16503	2386	0	1716	1896	10943	5695	1586	2087	18377	16584	0	3205	6733	4278	16869	3178	20539	7187	7103	7012	8054	5851	8524	10859	5943	7064	1847	5518	5321	1140	4662	0	0	0	4187	4264	0	8695	10106	5157	2795	1347	0	0	0	1146	5894	0	0	6718	0	0	678	0	1276	3228	9420	9868	14891	14120	7639	6181	3418	8678	6985	0	4636	2726	3885	2397	0	0	4944	839	0	1815	5160	2653	12514	0	0	11033	2471	9156	0	4329	3605	0	0	0	6617	2525	1801	0	8518	0	0	3281	1281	Phytochemical	0.11764706	1.0	0.05882353
10	C10 H21 O7 N1	268.13907	268.13943	-0.09151305	268.13907	71905	61962	65872	63867	12703	15183	3298	0	9869	19921	44535	0	16325	33598	2415	0	1382	2281	4639	2683	2829	2614	0	0	3756	3391	1089	636278	0	0	1208	0	0	1356	22566	0	1633	3147	0	21959	0	12474	6275	4224	4565	25249	1466	8491	0	0	64130	59816	5909	7836	39478	3862	126446	0	681136	0	0	0	43578	9682	315964	184435	219455	0	28651	17025	7548	0	0	2223	0	0	4531	0	0	248796	0	81958	2144	0	28231	192512	0	4145	6133	0	31237	74874	0	146604	7325	3637	71499	85729	22276	3302	26373	0	0	6697	4429150	0	27074	8545	1159	0	A-Sugar	0.7	2.1	0.1
2	C11 H17 O3 N5	268.1404	268.1409	0.033485904	268.1404	5191	4617	2496	2926	1970	0	1709	3825	1211	918	2404	2118	1091	624	1767	2028	3154	1841	4790	941	1380	3356	2901	3301	1601	0	0	5173	3820	2406	4333	3221	3001	2824	1782	2887	2212	1768	4310	1372	1728	0	0	0	0	1527	1580	0	3670	1937	3244	2323	933	0	1903	753	906	4971	564	1488	1890	521	1887	1289	0	3102	2068	5613	0	311	585	2116	3599	2221	2013	3583	0	1950	2833	24210	1936	0	1048	350	1716	1182	2631	2289	3309	9390	9596	9559	9944	4784	0	0	3849	2979	727	934	987	3117	1607	2316	565	5900	1194	0	2099	2495	Peptide	0.27272728	1.5454545	0.45454547
16	C14 H21 O4 N1	268.15433	268.1547	0.06966763	268.15436	138285	145605	152793	142726	109076	90976	151462	178464	72775	152409	109886	118922	81056	75598	111812	229582	295460	157623	150890	253237	230249	169022	109185	179943	113133	89161	141228	106785	180425	179846	155780	206824	225774	193011	179062	193714	234785	92656	296602	153439	168776	112902	5782	2876	3312	129139	151684	3890	230089	171040	143299	154815	117950	3447	77870	59288	61359	229957	105618	158983	192568	91286	80108	68978	59819	116049	112071	282932	71016	95509	99408	166167	179638	170967	250585	190270	3252	95378	105065	143157	66180	105460	140442	110945	75544	77117	134338	146241	125616	259958	202375	218295	212548	123131	191164	4078	151437	166833	65999	72327	85935	245594	88822	157631	72812	173691	94719	2801	129419	97618	Lipid	0.2857143	1.5	0.071428575
12	C14 H21 O4 N1	268.15433	268.1547	0.018522566	268.15433	158563	193962	185062	177954	101842	82807	140919	141868	70788	240328	134489	82937	71597	52466	88867	244632	215562	138007	155481	371779	345939	275272	88869	164968	102760	246371	131454	110646	171205	153547	132149	199411	193166	170762	250061	170914	212621	84235	252072	240449	278638	92400	5274	2171	2365	170388	221390	2661	212188	132862	173117	184052	97283	2663	98034	58129	61313	213469	109681	175524	163250	129598	94053	76861	55322	112130	90851	198938	179952	260069	286529	134579	149652	151728	238679	167152	1635	92418	92894	132039	77513	127524	146249	156998	79646	69259	129950	103974	101981	252679	309504	315774	223071	163124	348516	2637	194608	202935	66437	61813	81216	234671	83546	197839	73550	165868	91185	2061	105851	108627	Lipid	0.2857143	1.5	0.071428575
18	C14 H21 O4 N1	268.15433	268.15466	0.11164246	268.15436	65629	62241	63651	55909	55381	44947	62227	72227	26957	50666	33042	44229	51961	45940	48708	108383	99093	74045	77628	71883	66680	46995	44744	78095	44806	19756	58764	41949	98266	92012	69232	90500	105071	102094	43799	90622	112152	35754	89857	42860	52806	54888	5770	2576	3056	45301	48974	2900	103074	62622	58893	51486	56170	3861	41471	32190	30092	102130	40558	59133	95769	28474	38725	33151	27030	57162	59537	94310	20781	22851	26402	66640	63563	77266	86597	78203	2682	38149	44299	60585	25894	39221	41487	28649	47558	36156	60890	72266	55985	87431	85653	100846	85008	43266	67067	3698	51914	65717	31444	32527	33627	115808	36918	69051	30932	70409	38513	2399	46826	33194	Lipid	0.2857143	1.5	0.071428575
20	C14 H21 O4 N1	268.15433	268.15466	0.118703716	268.15436	23826	22535	26042	20519	54055	35213	21119	27093	21127	9000	9329	18767	32416	29268	27051	38958	38510	40695	38766	21229	16935	12104	16508	24858	25735	3268	19415	15653	35238	27362	25391	34069	41614	47493	13331	37993	37135	14064	33279	9512	18601	35808	5898	6793	5251	14668	19770	5486	33921	21996	25072	22680	40266	6008	23239	19610	41424	36061	14850	18888	31799	5433	15604	17190	24465	38041	41772	36207	4670	4831	5817	26920	37157	30967	31728	28119	4822	15292	16788	19703	9064	15670	17686	9245	22889	19909	29556	37108	32017	27762	39516	28521	27819	12076	8120	6566	23791	28930	30879	20436	27576	46220	20679	27632	16119	25344	44001	8276	22382	28964	Lipid	0.2857143	1.5	0.071428575
14	C14 H21 O4 N1	268.15433	268.1547	0.031726897	268.15436	238458	264147	247526	250351	139420	130960	255242	205422	92779	370200	209853	151988	119575	89260	124589	269256	301224	196004	168696	454081	450950	351817	117578	179513	143200	239630	249681	185907	236317	215437	228789	310606	324830	284335	381084	264263	331509	121555	302418	366268	318601	144720	6345	2163	2309	185342	225408	2634	336181	171168	241051	212994	147260	3451	121131	75480	85201	357012	151324	242368	201863	173894	98993	105019	85681	148804	143594	310092	161505	229735	246852	220950	222386	223066	266892	268425	1939	133635	118311	182273	96122	146315	246172	249093	105138	87705	179372	189408	182111	314657	359951	401596	248103	222351	374498	3154	267157	211764	84006	85732	109178	316125	140755	289842	114958	279823	105720	2535	169970	98849	Lipid	0.2857143	1.5	0.071428575
10	C13 H21 O3 N3	268.16556	268.16592	-0.019744297	268.16556	8673	8573	8478	6461	2848	2439	6910	10031	2762	0	2371	8596	1679	0	7435	13939	15753	2472	4686	4464	3588	9411	7488	14643	7860	1983	13523	0	12409	11119	7062	18365	18155	17805	3781	14161	19751	8232	16089	4511	6152	6409	0	0	0	7925	5977	0	17739	8278	8489	8350	4058	0	2539	0	2384	14412	0	3410	12586	1754	1554	2190	2043	2293	4203	22249	0	2715	3126	8753	12518	8427	13970	10486	0	7041	8140	6400	5580	3888	3712	2581	0	2015	7859	3578	6165	18602	22250	7730	17522	4422	5219	0	6563	7903	1804	2130	1552	15048	9068	6943	0	7700	2979	0	10840	3588	Peptide	0.23076923	1.6153846	0.23076923
16	C13 H21 O3 N3	268.16556	268.16577	-0.13239405	268.16553	2022	0	0	1802	0	5122	6438	0	0	0	0	0	0	0	1556	0	4758	10909	36901	0	0	0	0	1987	0	0	6959	0	0	0	0	0	4752	2149	0	2700	5011	0	2293	0	0	2954	0	0	0	0	0	0	2311	1034	1421	1878	2435	0	0	0	4072	4526	0	0	0	0	0	0	4967	0	2960	5554	0	0	0	0	0	0	0	0	0	1013	0	0	0	0	0	0	0	2182	3947	17266	13523	0	0	0	0	0	0	0	1682	0	0	0	0	9833	0	0	0	0	0	0	1290	0	Peptide	0.23076923	1.6153846	0.23076923
8	C13 H21 O3 N3	268.16556	268.16595	-0.015489971	268.16556	17569	14670	14551	17537	5818	5136	13071	21356	4449	8035	8365	10637	5280	2355	13527	29582	20766	9116	10970	12639	13069	20485	12537	33889	19941	4509	12563	13778	20263	15461	16897	17479	20023	19245	13718	17903	20230	11050	25056	12258	13340	6869	0	0	0	14988	16372	0	22385	15468	14569	16594	6628	0	5539	1994	4143	25003	5026	7065	20897	6287	5539	5797	3204	6620	8624	25778	4102	9536	7409	15909	14556	13533	13938	14160	0	10981	15360	20875	12031	6544	6317	8421	5059	4378	18198	9321	9346	46293	41015	10797	46617	11281	13998	0	15935	14789	3769	3452	6039	21579	12291	13617	0	24099	4379	0	15848	10106	Peptide	0.23076923	1.6153846	0.23076923
12	C13 H21 O3 N3	268.16556	268.16586	0.006306642	268.16556	2550	2934	3430	2442	0	6716	3032	1872	0	0	0	6274	1102	0	4285	3714	5947	0	0	1264	0	4529	3078	2901	4497	0	5444	0	5531	3479	5311	7945	9426	8064	0	7458	5438	3572	10061	1919	0	26933	0	0	0	1699	0	0	6631	0	3445	2176	2422	0	0	936	6138	4863	0	0	0	0	0	0	5548	2014	23388	7301	0	0	0	4132	8459	6305	6350	8123	0	6957	2352	0	1712	0	858	0	1570	1088	2413	3806	9098	11608	5780	0	6100	0	0	0	3891	2419	1416	0	0	4734	5947	0	0	4763	0	0	3418	0	Peptide	0.23076923	1.6153846	0.23076923
12	C18 H21 O1 N1	268.1696	268.16998	0.109794065	268.16962	1416	3046	2098	3217	21930	31476	3287	3867	1333	0	0	3907	3680	295345	2549	2058	8576	6155	24794	1650	0	0	1747	0	2036	0	0	0	17158	2447	3666	5954	2880	0	0	11807	0	2520	5950	0	0	108556	0	0	0	0	0	0	4942	5456	1797	1606	54759	0	0	6644	37346	3636	0	0	0	0	0	5409	23013	8433	95267	19986	0	0	0	0	1786	2687	4487	4111	0	2479	0	0	980	0	0	0	2042	5629	0	10700	23691	0	0	0	0	0	0	0	0	0	4764	0	1573	1573	2988	0	0	4691	4970	0	0	0	Phytochemical	0.055555556	1.1666666	0.055555556
8	C11 H25 O6 N1	268.17548	268.17606	-0.12234021	268.17545	1089	1066	0	1296	0	3274	0	0	0	3848	2762	0	0	0	0	0	0	0	0	3169	1423	1197	0	0	0	0	743	0	0	0	0	0	0	0	0	0	0	0	0	3442	984	0	0	0	292	2479	3005	0	0	0	889	1050	0	442	0	0	0	0	6265	0	0	6018	0	0	0	0	0	0	0	1825	6063	0	0	0	0	0	450	0	0	2971	0	0	0	0	0	0	0	0	0	0	0	0	0	1703	4004	0	0	0	0	0	0	0	0	2685	100217	0	0	0	0	0	Lipid	0.54545456	2.2727273	0.09090909
10	C11 H25 O6 N1	268.17548	268.1759	0.053122647	268.17548	1172	1500	1104	1061	0	0	2523	0	0	1210	3830	0	0	0	0	0	1924	0	0	1855	0	0	0	0	1011	1830	8935	24766	0	0	0	0	0	0	0	0	0	0	2173	0	3109	0	1681	461	450	0	9525	0	0	0	1789	1336	0	671	0	1061	1244	0	2733	7313	0	3070	0	0	958	0	0	3027	14025	1395	13597	0	0	0	0	0	3268	0	1989	39715	0	1084	932	0	1543	2881	0	0	0	2619	0	3348	0	4884	6072	0	2558	1832	0	1206	3178	0	0	4385	0	0	2184	469	1037	0	Lipid	0.54545456	2.2727273	0.09090909
6	C11 H25 O6 N1	268.17548	268.1761	0.033249516	268.17548	647	0	954	0	0	0	0	0	0	3751	4325	0	0	1090	0	0	0	0	0	0	2161	0	0	0	0	0	0	8270	0	0	0	0	0	0	1550	0	0	0	0	1840	2095	571	0	0	0	2676	3571	0	0	0	818	1390	0	593	0	501	0	0	8084	0	0	8651	1121	0	911	0	869	0	0	0	3171	0	0	0	0	0	0	0	0	12532	0	0	0	0	0	0	0	0	0	0	0	1061	0	2067	1427	0	922	1164	447	0	0	0	0	1959	149891	0	0	0	0	0	Lipid	0.54545456	2.2727273	0.09090909
12	C11 H25 O6 N1	268.17548	268.176	0.06616595	268.17548	0	0	0	0	0	0	0	0	0	0	0	0	3183	0	0	0	0	0	0	2908	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1911	0	0	1504	0	0	4817	0	0	0	0	0	0	0	432	0	0	4477	0	0	0	0	0	12745	0	8434	18491	13591	0	0	7197	0	0	0	0	0	0	296	0	0	0	0	0	0	0	3781	2139	0	0	0	0	0	2623	0	0	0	0	0	0	0	0	3781	0	0	0	36089	0	0	0	0	0	Lipid	0.54545456	2.2727273	0.09090909
2	C12 H26 N3 S1 Na1	268.1818	268.18222	-0.050130077	268.18176	968	966	1160	1189	0	0	0	1287	0	623	0	485	0	0	470	2510	1069	0	0	0	529	4295	451	1677	694	0	0	0	1620	1745	1462	3177	1164	2821	510	2174	763	304	818	481	0	0	0	0	0	495	0	0	2267	1426	1005	1380	0	0	0	0	0	2241	0	0	2075	0	0	0	0	0	348	1918	0	356	0	1472	2009	2475	2790	1070	0	825	866	0	540	0	0	0	0	0	1623	0	0	26088	0	647	13781	0	783	0	1748	1112	0	0	0	908	854	1433	0	2803	0	0	721	0	Organosulfur	0.0	2.1666667	0.25
24	C15 H25 O3 N1	268.19073	268.191	0.1101321	268.19073	7418	6614	5805	8410	30846	16044	2772	5769	2250	3905	4131	4191	10651	158229	7071	7913	8554	9433	15531	6766	8372	4207	12168	0	5538	0	1945	5123	4705	2198	3428	5470	6783	4600	4100	6687	3995	3975	2607	985	2916	29941	0	0	0	2790	6659	0	4344	3631	6079	6410	20996	0	2752	6098	7050	6067	3774	5250	8189	1017	3133	1853	14545	11622	67330	6316	0	0	0	2764	4391	4353	4729	4440	0	4928	6892	12141	7303	7753	2540	1354	7649	23590	26657	0	15120	12483	20024	15257	6288	7507	8870	0	5177	8745	4833	7690	11044	4982	3240	7899	19994	8745	13195	0	10424	3257	Lipid	0.2	1.6666666	0.06666667
14	C15 H25 O3 N1	268.19073	268.19107	0.055575263	268.19073	5495	5466	3373	3570	5941	2670	2521	3347	3513	4615	2419	3015	2289	2872	1906	4617	7554	4963	5795	6091	8922	9313	2834	6598	6470	13751	5833	0	4351	5382	3231	6437	2432	5431	8399	4783	4702	2506	10627	5764	7982	2386	0	0	0	5961	7255	0	7631	4141	4254	5687	3656	0	2281	2596	1652	10525	0	0	0	2109	2379	0	2289	6129	3529	6735	0	13155	10096	3185	7490	2768	6517	5735	0	2492	4393	0	1326	1533	2824	8298	5901	0	5053	1880	2188	30186	19425	8621	15269	5008	15446	0	3907	6075	2926	4361	2897	5657	1549	4890	0	9951	2226	0	4653	4505	Lipid	0.2	1.6666666	0.06666667
22	C15 H25 O3 N1	268.19073	268.19104	0.08074456	268.19073	33609	30209	24715	32830	28888	24644	25409	33858	13134	58803	39065	16589	15680	28726	24010	59051	49788	33574	26162	56195	55452	46506	35449	48268	52937	3216	27203	52351	31389	27047	24137	27876	41892	34474	49882	34582	39700	22412	35392	12668	17899	23219	0	0	614	36160	45562	0	28345	25330	34534	26507	32244	2036	13339	22210	14402	61196	22444	31205	54061	11886	12067	14099	14804	31411	45437	43090	2695	4959	2722	21090	22977	27811	28237	28657	927	18749	32709	91588	28109	40168	26313	9038	21832	23506	66676	26445	21376	96264	88740	81949	45799	51655	66958	0	25818	45906	19419	25024	45049	47950	17583	31126	44771	41149	26655	0	78752	16358	Lipid	0.2	1.6666666	0.06666667
16	C15 H25 O3 N1	268.19073	268.19107	0.10715923	268.19073	11530	10135	8457	8640	7740	3958	3465	8513	1857	4044	6161	7122	4586	5068	2483	14333	19506	7194	8270	7333	12931	11693	4371	11767	6974	14123	7426	5010	11733	9278	8024	8583	7491	4971	3547	9807	8556	7224	16009	6150	14586	6889	695	0	0	10435	13810	0	9285	9896	9349	11391	3594	681	2006	5761	2598	14658	3542	14463	14002	5816	3409	1420	2559	5334	8223	13429	10578	12384	11454	9522	7653	9404	15886	10284	0	4784	7132	15547	3724	7429	6122	7488	8058	3806	17016	6881	4319	34452	23898	15797	0	16632	25777	0	6825	12179	2987	7111	13100	6276	5192	8870	6586	0	7158	0	7194	0	Lipid	0.2	1.6666666	0.06666667
18	C15 H25 O3 N1	268.19073	268.19104	0.08053888	268.19073	20881	21773	17385	17651	24079	11785	12893	19641	5467	24328	24327	8263	12768	14945	9885	33698	20861	13322	21676	36514	42928	27152	9319	15797	13281	56974	12765	22867	10852	14529	10180	12156	15522	19945	13912	16764	14411	7143	19896	16999	30975	14375	2141	300	302	22964	39348	400	15427	16186	17426	18415	12724	1664	4482	10541	7190	26014	8226	29238	25388	11082	9473	8851	8484	17866	15219	19161	46202	28901	50500	16629	16041	16658	25624	19071	322	8548	9904	50171	6639	16389	12111	13732	14050	13764	14031	14290	10803	58715	51021	57120	36917	30421	50422	0	20511	22724	11038	14452	24022	21427	6916	23708	12781	22912	18001	349	14978	8199	Lipid	0.2	1.6666666	0.06666667
8	C15 H25 O3 N1	268.19073	268.19113	0.025507381	268.19073	50650	48017	43224	52669	25669	21390	25676	52027	17602	56642	30531	34845	21098	20366	28203	77276	38109	23693	35614	67752	58542	63535	30143	276008	41093	33573	29479	26150	43274	41709	40815	47277	47947	43132	72286	38908	48792	32747	48527	65133	39284	27661	0	0	0	78279	53552	0	57952	46655	44744	50008	23722	0	31206	7239	54671	67817	0	5843	68850	21481	18876	34134	48600	30502	50374	53868	30026	56654	57105	53195	43854	38306	38959	45600	0	28851	42536	52136	27961	7969	4801	47463	14192	14176	50930	18499	20728	136047	99110	24370	97175	53830	69402	0	48201	49018	13838	11627	12123	41627	25364	45740	15705	52190	13877	0	49131	18419	Lipid	0.2	1.6666666	0.06666667
20	C15 H25 O3 N1	268.19073	268.19104	0.074755356	268.19073	29982	25106	26661	22566	34687	18394	18018	17267	7708	44147	39967	10673	24878	32130	13225	43352	37710	24034	26502	51929	51493	32116	14074	22946	23613	20182	20246	40597	20983	23265	11589	24488	32476	24324	40943	20922	23954	11626	28757	12719	26375	20702	2436	0	443	24080	36622	1000	24823	27689	24657	18158	21867	2686	12178	18800	12577	35331	10996	35048	37258	10464	16879	12606	10156	33187	28038	32865	16135	11721	19628	15466	20001	22627	28535	21056	660	12830	12498	49619	5661	17227	18216	14070	30849	18659	52299	26140	21897	63142	61100	50291	41341	27974	52978	674	29237	33363	13540	20475	40350	34369	11321	35555	17081	24211	31953	0	20869	24138	Lipid	0.2	1.6666666	0.06666667
10	C15 H25 O3 N1	268.19073	268.19107	0.003183605	268.19073	24158	26081	27992	26419	14344	11415	12036	25791	9724	33958	16169	17577	12274	10153	16155	37786	25636	12621	15514	39179	48633	28416	12625	29203	13362	34936	17892	14618	56496	25209	19170	25361	26190	20846	40055	18441	24625	15196	38843	34299	26686	10557	0	0	0	17765	25435	0	62334	20869	29976	26252	11456	0	6567	6329	7213	46648	0	5151	32363	8693	10928	7783	8579	12551	11894	20288	24356	35185	55693	24664	20722	15249	29302	26867	0	12708	21927	13156	13178	3165	1278	20455	9883	6322	67351	12257	11567	226657	62198	15828	40238	24337	40909	0	28909	27162	6191	9639	10267	19273	12158	31795	0	23292	9582	0	15651	10464	Lipid	0.2	1.6666666	0.06666667
12	C15 H25 O3 N1	268.19073	268.1911	0.05642036	268.19073	0	6156	7601	6100	6346	5955	4752	8190	3677	9988	5365	3827	7396	3925	5114	9992	9812	6803	8322	10777	14200	9893	4002	9113	4611	13680	5756	0	8251	4730	6937	6673	7102	8953	12333	8443	10450	4333	11118	8620	7840	4468	0	0	0	4841	8347	0	10065	6483	5844	9113	4947	0	4325	3043	1854	7628	0	0	0	5333	5824	2438	3230	7672	6487	10381	0	17324	26990	8413	7073	4399	7682	7130	0	5093	8065	0	3440	2618	854	9108	4597	3477	12623	2833	5000	40056	25685	10354	19539	6598	12558	0	6719	8736	2768	4994	5756	10224	3963	6897	0	9067	4553	0	5415	9298	Lipid	0.2	1.6666666	0.06666667
12	C14 H25 O2 N3	268.20197	268.2023	0.11148157	268.202	2617	4176	3953	2893	0	0	4591	8070	0	0	0	1222	0	0	9202	24468	0	0	1665	0	0	0	4719	5446	17147	0	5289	0	23673	18044	101128	5363	24579	0	0	7442	18499	11931	0	0	0	0	0	0	0	2039	0	0	46898	6488	2873	4152	0	0	0	0	2787	18236	0	0	0	0	0	0	5624	0	1411	0	0	1093	0	1905	2390	3752	1973	14975	0	2279	4289	0	2853	0	0	0	0	4046	6308	0	0	5370	0	0	4761	0	0	0	2074	4033	0	0	0	17383	2326	0	0	9198	1373	0	10886	0	Peptide	0.14285715	1.7857143	0.21428572
10	C14 H25 O2 N3	268.20197	268.20233	0.10291492	268.202	3129	2378	1258	2347	0	0	1419	1425	0	1185	0	1180	0	0	1048	1779	2636	0	0	2417	2104	1313	1715	5392	962	1661	1655	0	2143	3300	3444	4653	3289	3660	0	4235	2527	1853	2159	52223	15714	0	0	0	0	0	1988	0	2899	3377	1357	1636	0	0	0	0	0	2387	0	0	0	20258	0	0	0	0	0	2278	0	0	1650	3292	2657	3891	3509	3717	0	1385	1090	0	807	0	0	46263	0	0	1512	0	827	2840	0	0	2771	0	2499	0	2524	1945	0	0	0	3752	1661	0	0	2887	0	0	925	0	Peptide	0.14285715	1.7857143	0.21428572
26	C16 H29 O2 N1	268.2271	268.22723	0.048839808	268.2271	0	2346	3158	1956	0	4422	0	0	0	3030	0	0	0	0	0	0	0	0	0	0	0	4750	0	0	0	0	0	2832	0	0	0	0	6590	0	0	0	0	0	0	0	0	7678	4276	0	0	0	0	0	5733	10500	0	0	0	0	0	0	0	0	0	4919	0	0	3000	0	2364	3205	0	2656	0	0	0	0	0	0	0	6157	0	0	8386	6130	2521	2998	2435	0	0	8026	1812	4343	0	17340	3443	1431	24656	0	0	0	0	0	0	0	0	0	0	0	0	1679	0	0	3781	8447	Lipid	0.125	1.8125	0.0625
10	C16 H29 O2 N1	268.2271	268.22748	0.031184454	268.2271	13658	11986	12515	11226	11421	6065	7536	26851	9286	8664	3519	11572	6188	5643	48171	41340	4748	4434	8013	6220	4962	10530	40037	49396	46612	0	11935	3140	12528	9395	11633	12688	21642	10383	8073	21824	20279	34546	5457	3566	0	4080	0	0	0	9821	2611	0	12730	19072	11680	10388	8793	0	0	5347	2340	56523	0	0	51800	0	1430	2095	2747	10346	6389	9015	0	2586	1884	16943	9271	14038	5706	8038	0	17437	11568	0	17079	0	0	2091	2589	2025	22098	5827	6404	43249	27382	0	104150	3529	5722	0	11891	11188	10152	4902	4648	16784	16268	3599	0	31743	13290	0	16100	6752	Lipid	0.125	1.8125	0.0625
8	C16 H29 O2 N1	268.2271	268.22748	-0.005040212	268.2271	3342	3132	2802	4443	721	1582	7118	7739	0	2663	1461	2187	0	2351	6177	13973	2253	862	2718	3004	3781	4159	6764	12518	11131	940	9546	2180	4386	4176	4932	3049	2956	3928	3845	3259	3718	5335	1771	1706	0	843	0	0	0	2952	0	0	3874	4405	2576	5313	842	0	0	0	688	11377	0	0	12048	0	0	0	0	0	982	2983	0	0	1761	4721	2221	6398	2333	3251	0	5633	6398	2617	4109	0	0	0	0	0	9090	1301	1875	20528	0	0	50096	1586	4517	0	3334	4101	0	0	0	4047	3509	0	0	12633	0	0	5624	0	Lipid	0.125	1.8125	0.0625
14	C16 H29 O2 N1	268.2271	268.22733	0.04027377	268.2271	0	2285	2351	1427	2440	0	0	1643	0	0	0	0	0	5992	29963	3177	0	0	0	0	2342	0	0	0	1668	0	0	0	0	2921	2771	0	3840	0	2445	1646	8230	34729	0	2540	0	0	0	0	0	0	0	0	0	0	0	0	1791	0	0	0	0	2487	0	0	0	0	0	0	0	0	6106	2716	0	0	0	1602	0	1670	1211	0	0	0	0	0	0	0	0	886	0	0	1493	1729	2260	0	7893	0	3575	0	2392	0	0	0	0	0	0	2884	1256	2230	0	1404	0	0	0	0	Lipid	0.125	1.8125	0.0625
24	C16 H29 O2 N1	268.2271	268.2274	0.104715325	268.22714	52804	48426	62229	66994	26907	168623	6467	37998	0	123783	2850	952	35372	53160	2149	323432	148149	51351	29296	29025	46537	13707	4104	34596	4963	1923	4591	5742	24473	269946	41779	144225	131867	34644	20379	138475	48026	2778	56068	68589	330896	184747	74401	2367	0	116035	469132	4136	369629	879842	53560	57015	3712	163106	0	0	1284	36203	0	1638746	66347	1008	91366	0	1418	119686	8816	415587	1731	4634	33570	40964	9642	35485	113069	279396	7627	0	8243	15961	2556	6066	2975	4963	1280	0	2976	190302	15043	148576	49642	6651	242410	1641	244147	21591	58679	61244	1417	0	2163	20004	1342	12970	11323	7340	0	4524	5972	366693	Lipid	0.125	1.8125	0.0625
20	C17 H33 O1 N1	268.2635	268.26404	0.001935773	268.2635	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9898	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	781	0	0	0	0	0	0	0	0	1171	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	685	0	0	0	0	0	0	291878	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.05882353	1.9411764	0.05882353
22	C17 H33 O1 N1	268.2635	268.26404	0.03290684	268.2635	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1676	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	670	0	0	0	0	0	0	0	0	1544	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	861	0	0	0	0	0	0	124108	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.05882353	1.9411764	0.05882353
22	C15 H8 O5	269.04446	269.04477	0.14017384	269.0445	3332	2059	0	1896	2043	0	4675	2064	0	0	0	2897	0	0	2589	5308	4753	0	3337	0	0	2301	2972	2505	2655	0	5298	0	1676	2103	1495	4189	1408	0	0	3129	0	4527	7020	0	0	3142	0	0	570	0	0	0	1518	4185	2291	2797	2277	879	0	1709	3004	2279	0	0	6238	0	4118	2478	1304	4885	8233	5356	0	0	2296	0	0	1196	1650	2542	0	2472	10519	0	4901	0	0	0	2727	3900	9030	3825	3878	22730	2610	0	7182	0	0	0	0	2306	1951	2021	3394	2659	3152	0	0	4212	2180	0	10949	1622	Phytochemical	0.33333334	0.53333336	0.0
16	C15 H8 O5	269.04446	269.0448	0.14076944	269.0445	6485	6647	8037	4759	10325	3869	5049	3990	7081	4189	3661	3432	13053	8034	6367	9877	4048	22086	27531	4779	3423	8104	6884	9351	6629	0	4417	2758	0	1377	2935	3402	5020	1882	7266	0	3611	6462	3480	1909	1406	5036	1066	0	519	2577	4136	732	3093	3779	4492	4335	8712	368	6430	5538	5097	8844	2856	0	8739	0	11196	6758	6331	12493	4867	3680	0	1545	3036	1395	2735	0	3135	2159	338	4493	16076	3393	8889	2429	2599	0	7964	4776	19915	12588	8363	30288	3478	3378	0	5249	8978	838	7719	7465	6450	6020	5299	4675	3272	1850	0	0	5833	369	8222	11593	Phytochemical	0.33333334	0.53333336	0.0
18	C15 H8 O5	269.04446	269.0448	0.10862026	269.04446	11040	9516	5049	6795	8585	10659	6349	3997	6467	2654	1862	12310	11672	18695	11088	11674	12042	26046	21171	1993	0	7553	12898	9789	9186	0	8397	0	6809	5138	5764	8769	8312	6397	5079	6976	11489	10100	12235	1852	1944	11369	993	442	662	4426	0	747	4989	5869	10598	5174	10893	830	11227	6586	9794	18126	1337	1519	11487	1076	12156	13471	10377	17058	21287	15944	2622	0	2136	5753	5511	2851	9500	7593	0	9335	20215	5581	16940	1361	0	0	9713	10488	20843	19354	14924	23955	0	2160	17650	2961	3511	1263	6476	6938	8366	8301	7729	15020	9060	1802	1300	8699	5569	560	12554	10413	Phytochemical	0.33333334	0.53333336	0.0
12	C12 H12 O5 S1	269.04782	269.04822	0.20592935	269.04788	10295	10561	8532	7625	15948	8217	0	1195	12009	16977	13979	1729	17347	5861	3485	3296	0	19602	13685	13687	10582	20503	2221	2536	3710	0	3107	8591	0	0	1393	3147	4556	0	15328	1639	5526	2223	3515	15077	21934	4376	541	0	0	5187	11603	0	3553	0	10058	10279	10531	284	11295	10608	2738	3625	5356	9551	0	10653	7359	6994	4894	12866	5393	0	0	9604	10395	1178	1587	0	2209	2586	0	0	3589	29495	1694	6397	4715	11707	10981	6256	4559	5846	7197	4171	21244	25492	3174	28621	50894	0	5230	8431	11192	12981	9427	5176	1419	8924	0	1809	11351	0	2699	15786	Organosulfur	0.41666666	1.0	0.0
10	C12 H12 O5 S1	269.04782	269.04825	0.22791757	269.04788	2157	3134	3557	4947	8988	3608	1077	0	7806	10665	6343	0	10745	3620	0	2086	1403	12999	8697	5862	6310	12411	1083	0	945	3959	1002	4695	0	1139	0	0	2066	1480	10574	0	1270	748	1882	12139	15837	1833	0	0	0	4181	9396	0	1712	0	3794	5011	5447	0	4758	6596	2130	2249	3201	5361	0	7674	3461	3885	1541	9172	2307	2262	0	7755	6942	0	0	0	0	0	0	0	2274	9241	1318	3898	3676	4577	7364	3385	2332	2420	3694	0	7561	11301	0	21216	22961	0	5249	4379	5772	8499	6582	2128	1182	5347	0	2389	7760	0	1100	8543	Organosulfur	0.41666666	1.0	0.0
14	C12 H12 O5 S1	269.04782	269.04822	0.17321637	269.04788	9172	7761	7991	8998	22639	10143	3305	0	16365	24181	16140	1322	30413	7047	2834	2610	2289	26733	13362	11440	10097	29124	2109	3059	5770	3140	4105	9872	2682	0	2652	0	0	2987	14313	0	7272	2232	2509	18822	14457	5953	0	0	243	8529	8939	0	2227	1081	7532	7141	14691	0	11792	10458	5882	7578	7041	8719	0	9187	13150	10923	5079	19617	8459	4078	0	5724	7427	0	1989	0	0	2536	0	1666	3842	25460	3202	5503	8758	13137	13025	6907	7956	9437	9157	5625	27872	37575	3721	28183	35186	0	10116	12570	10887	9038	12736	3440	3594	11465	0	5794	11584	0	4763	21554	Organosulfur	0.41666666	1.0	0.0
18	C12 H12 O5 S1	269.04782	269.0482	0.1521107	269.04785	8812	8586	5239	9338	18204	20732	2113	4046	9961	7733	4581	1433	26683	15025	2088	2724	4319	39516	27916	3684	4591	7809	3207	2916	8458	0	4800	6010	3880	2600	3008	2747	4306	0	3193	2922	9097	2749	4167	3535	6720	10468	701	0	0	4801	2268	0	5543	0	5379	5472	16920	0	14184	9771	6582	11071	3665	2314	7879	5124	5609	12024	4916	16992	15537	3032	1199	0	0	1657	2087	0	1437	0	314	2394	4384	10124	3037	4470	4730	5138	5287	9328	6561	9523	11038	6519	17308	16950	5925	7136	11162	525	5868	9077	8429	9402	10101	6396	1535	6385	1867	5763	15661	0	4821	21142	Organosulfur	0.41666666	1.0	0.0
16	C12 H12 O5 S1	269.04782	269.0482	0.18836334	269.04788	7943	8251	7353	6960	26886	17332	3029	0	15398	14627	7609	2411	32228	10368	4042	4123	4018	39912	24480	7204	7568	17774	3201	4710	6797	1813	3092	7611	0	0	2162	0	5714	1601	15723	1776	5791	2546	5142	10042	11058	7024	446	0	0	4721	3919	0	2101	0	10483	10622	18321	342	12315	10498	5638	11224	9891	7986	0	5046	11420	11509	4274	21242	10061	2135	0	4114	0	0	1810	0	0	2519	0	1114	3651	18904	0	7468	5407	6130	13559	8489	6455	9879	9920	0	23242	34398	0	18157	22405	0	9097	11023	10333	18465	11831	6892	1533	7420	4357	0	16540	0	2812	30149	Organosulfur	0.41666666	1.0	0.0
14	C11 H12 O4 N2 S1	269.05905	269.0594	0.1799516	269.0591	0	3073	2588	2048	4017	2127	3945	4588	1358	0	0	3668	0	0	3184	8418	8042	1745	2390	1863	0	4800	2419	6104	4761	0	2196	0	2163	2697	3758	0	3235	4776	0	2974	5555	1362	8235	1248	0	1540	0	0	0	1996	0	0	4684	3762	3128	1513	2699	0	0	0	1891	6143	0	0	0	0	1503	0	1399	3495	2537	8164	0	0	0	3678	2629	2081	5616	4681	0	2393	3376	0	3718	1037	1667	0	0	0	6400	4546	2238	20056	0	5047	11192	0	0	0	2591	2785	952	1549	0	2772	2504	2045	0	8239	1787	0	4022	0	Peptide	0.36363637	1.0909091	0.18181819
10	C12 H12 O7	269.06558	269.06598	0.11278158	269.0656	112598	117356	105685	91671	331608	187229	39001	37791	399017	76375	60659	53632	627929	181784	52470	56493	53381	463011	382579	63146	87090	75719	75750	34006	25438	6999	41803	25637	48301	41122	42813	49327	101679	43691	99583	42611	101832	52419	56821	36749	67125	125904	7349	2905	4160	30004	32435	3755	55853	31503	110697	120199	239940	3910	449442	304753	106725	63051	36995	43462	58346	37832	503510	403919	104560	426090	142817	63135	25460	22078	30740	35978	46310	35504	53548	42519	3218	46535	68770	40686	54965	29406	22112	13111	311421	141275	76131	129824	151159	46867	58552	56247	48042	74941	58203	3273	106099	113765	247690	338989	321729	96100	48747	48098	31383	46891	267690	2823	27956	679738	Phytochemical	0.5833333	1.0	0.0
6	C12 H12 O7	269.06558	269.06604	0.1160051	269.0656	41543	57341	45428	47919	153501	57574	15846	19311	155474	32482	35334	19979	259394	56496	19532	23788	24540	179148	162250	24374	36625	29882	29018	18909	8064	3495	13606	8869	18382	16606	20591	20006	37947	20136	37532	18342	35616	22466	33041	15906	24367	49590	2609	952	2016	16478	21215	1803	22014	15155	47234	50927	101641	2138	156993	170098	59058	23486	14152	21344	28619	11413	248809	150742	46641	176996	62418	29693	13832	9072	15218	18005	20990	17864	16442	17575	1586	16014	28661	12051	21213	11570	9765	5376	165878	58380	34344	67240	69753	25542	19073	23333	19651	27913	20941	1788	44096	42408	105390	224568	222959	39772	20020	21664	14488	22945	135966	1246	11036	307773	Phytochemical	0.5833333	1.0	0.0
2	C12 H12 O7	269.06558	269.0661	0.13679495	269.0656	4364	4646	2962	3812	11709	0	2269	2793	11745	1956	2099	3732	21187	7672	2928	1492	1810	10676	10674	1420	3170	3830	4328	3073	1530	1163	0	0	3674	2505	3045	3023	3933	4132	3059	2763	2980	2627	3640	2231	2017	4848	1129	959	2600	2644	2054	1965	2612	1787	2688	3357	6493	1064	9609	13687	5185	4490	1855	2170	2645	1472	18586	10610	4598	15673	4600	4230	3258	1418	2253	5417	4487	3143	1069	3157	1451	2780	3420	0	2816	2729	1847	1097	12434	5253	3948	5637	7103	3132	3328	1750	2486	1934	1295	3112	4331	4563	10539	15669	18099	2915	3702	2009	3056	2576	9317	1218	1889	16025	Phytochemical	0.5833333	1.0	0.0
14	C12 H12 O7	269.06558	269.06595	0.13989826	269.0656	64536	72397	56162	63566	141023	120579	30332	37198	193295	28287	28857	39470	303116	102977	53078	37523	39487	248467	189650	25503	34289	44139	61375	32624	25169	4835	31919	12518	29411	28825	30307	37960	81389	36538	44681	35003	71453	48649	33717	22478	24704	70152	4954	2645	3492	21946	28142	3473	36523	28993	59487	61562	118766	3330	231234	116069	66652	53345	30731	22723	41145	20724	269180	199089	57176	195431	82478	36875	0	12345	14774	31938	31721	25695	27396	31937	2553	40741	50960	25336	43876	20653	12246	8022	128984	72887	56342	73283	88215	33920	32507	41128	44193	31262	24010	3910	67358	65761	101046	139961	131430	61614	44016	28322	0	37394	94918	2828	21786	295666	Phytochemical	0.5833333	1.0	0.0
18	C12 H12 O7	269.06558	269.06592	0.14696267	269.0656	23617	26520	14337	18811	30373	24691	10156	14174	29750	4953	5895	12431	49288	26915	14514	10232	8040	42310	29404	7116	5732	12392	16350	12181	9101	2181	9967	3371	11558	13225	13244	17058	15974	10586	11541	11681	17091	16516	11361	6657	7230	15374	4572	2112	4717	10395	6093	4212	8663	11497	16626	20638	23653	2657	48070	27079	15309	18383	6538	9021	11560	9031	44908	35691	15325	37524	20016	13541	3644	2501	3224	12886	9665	9721	8333	9875	3403	10381	19114	7576	20396	9675	3972	3723	30027	19005	14967	15636	19477	10426	12010	8411	17891	8039	5708	3392	19180	18631	22819	25778	30555	14086	13056	8922	4996	13322	19692	2627	10772	41990	Phytochemical	0.5833333	1.0	0.0
4	C12 H12 O7	269.06558	269.06607	0.10115149	269.0656	13731	18867	14987	15603	45700	17328	5635	5994	43560	7590	8902	6342	70651	20158	6289	6993	8334	47702	43360	7104	10339	12710	9561	5833	3542	2865	5519	3683	6246	5529	6027	6813	12404	7677	13109	7490	9892	6265	10022	5999	8275	15240	2177	1197	2515	7229	6822	2128	7642	5861	12945	13189	25169	1943	37343	52408	15498	8666	4341	5932	8463	4119	75246	44741	18973	50315	13699	10823	5281	3593	6160	7435	7082	5294	3627	6617	1722	5623	11799	0	9068	5523	4537	2352	53838	17648	9965	20167	23319	10085	7067	6562	7156	5963	6219	4110	13319	16304	37137	84725	74103	11211	8440	6399	5519	7330	37629	1662	5455	84458	Phytochemical	0.5833333	1.0	0.0
16	C12 H12 O7	269.06558	269.06595	0.12403888	269.0656	32554	36931	35168	39113	71250	55525	16406	17868	84203	18069	14011	22650	133073	49268	30020	21238	22913	105821	88067	17756	18603	21763	39269	21181	19711	4070	14726	9717	21075	19302	24656	23683	33737	17610	23082	20122	43504	27722	26071	11026	16315	35080	4318	2671	4246	17616	12432	4156	25169	19860	34659	39388	50745	3009	86558	56435	33883	27416	18441	13661	18533	13068	109799	80421	24908	90341	37919	20655	8810	5962	5714	19555	19377	19982	11667	19364	4164	20070	33940	13157	27284	18900	8336	6212	60779	36826	28952	33004	43609	0	16990	19231	0	12260	13812	3783	28980	32223	48858	56100	59367	30354	19928	9569	14115	25710	43754	3258	18647	118905	Phytochemical	0.5833333	1.0	0.0
20	C12 H12 O7	269.06558	269.06592	0.14609548	269.0656	10042	8909	8449	7961	15932	14724	6587	6176	14979	5949	2035	7179	21422	12833	12265	4133	8629	19787	14067	5219	4627	6186	13992	5787	5157	2456	6727	1981	5531	6251	7602	8375	10556	6826	3598	4081	9005	7850	5916	3589	5779	6312	2614	2533	4127	3902	7349	4726	5918	6198	11617	8440	11666	2791	21713	15088	10180	10271	5630	2896	6521	2834	20964	21240	9613	21046	9276	5239	1898	3431	2698	9499	5210	7574	6045	5824	3250	6578	12845	2705	10170	6010	5019	0	19424	7678	15158	10966	11814	5055	7078	4222	10488	3111	2396	4890	9296	8474	13666	15777	17641	7217	11103	5901	5685	6506	10452	3945	9070	28050	Phytochemical	0.5833333	1.0	0.0
12	C11 H12 O6 N2	269.0768	269.0772	0.16366825	269.07684	15928	16924	19781	18016	14269	16446	16813	17393	16899	2794	4340	16655	15514	8984	17559	23615	17330	22958	28675	1461	6764	20771	20094	26863	14077	0	9640	0	20298	11512	18067	17157	33277	20368	6779	15997	24087	20259	24247	1612	4763	23154	359	0	366	6172	0	0	20362	11918	18010	14954	19289	356	15392	5400	14526	23324	4951	8732	18102	2641	19737	20556	14062	24246	18408	22914	0	1479	1470	17712	11788	6809	18606	14158	0	14002	15256	0	19256	2362	3103	1394	10415	14659	22612	26854	26735	38669	10530	11861	41073	6692	2528	401	14950	14809	11949	6679	8506	32664	16243	7561	0	29929	11057	362	19754	37883	Peptide	0.54545456	1.0909091	0.18181819
6	C11 H12 O6 N2	269.0768	269.07727	0.1344114	269.07684	32564	35290	28060	29240	42669	30062	14878	31939	48753	11929	17806	27162	57040	12382	23045	44984	42168	75336	77059	12006	18100	33128	29340	32981	11038	1042	13393	3356	26213	19838	24512	29696	47606	26825	16212	28757	40240	22041	51370	9167	16591	43441	0	0	0	13684	13029	0	33904	23429	33199	36534	42386	355	52439	27120	25912	39008	10808	16413	38998	7143	77330	52372	25191	51116	44176	60656	3162	3730	7792	26170	26043	20106	23715	23423	222	14875	20439	4642	17942	5385	6979	3002	38320	22769	25973	62117	52611	69462	6526	16547	64788	11112	9082	0	30006	25756	25816	25834	31710	48259	26095	16630	0	49075	30122	0	15794	127676	Peptide	0.54545456	1.0909091	0.18181819
10	C11 H12 O6 N2	269.0768	269.0772	0.115034364	269.07684	21670	25954	22652	24412	28548	27609	13355	20842	33874	9044	11728	21046	39490	11058	19372	30620	37500	48515	42832	5416	10815	25452	25526	26009	11907	0	16286	5657	22303	16393	17827	19188	42909	22509	6254	16967	34266	20120	37634	9153	9795	24442	694	0	0	7546	7392	0	22165	16030	21751	26363	32214	411	34367	17677	16030	26327	9978	14422	38171	4626	39492	35830	16744	39476	32692	40949	0	4169	5097	19248	14880	13186	25071	16551	0	16969	21512	6654	16954	5087	4861	1386	17321	17019	25069	38709	34008	44836	8518	15895	50289	9124	4738	0	26368	23590	19668	16312	12793	30057	18749	10792	0	36581	19851	0	11788	63967	Peptide	0.54545456	1.0909091	0.18181819
2	C11 H12 O6 N2	269.0768	269.0773	0.09794257	269.07684	6842	5838	4136	6047	12550	0	3232	5341	13017	1860	2850	5465	18907	4447	4660	1691	6094	15295	13634	2120	4028	7004	5875	4701	1115	331	0	0	5616	3678	5876	5228	10176	6177	3395	4975	6839	4366	6187	2159	2828	6784	197	0	0	2311	2311	0	5453	3790	5700	5115	11274	0	14331	7894	6024	7011	2071	2315	2412	1311	26701	15617	4612	19333	9480	9157	0	1156	1376	4899	5575	3635	1082	5461	0	3179	4499	0	2854	1439	1715	1374	8222	5333	3334	15990	10593	7251	1762	2315	10071	1719	0	0	5602	5818	7769	9593	8889	5679	5299	2278	1469	7882	6044	0	3190	32301	Peptide	0.54545456	1.0909091	0.18181819
8	C11 H12 O6 N2	269.0768	269.07724	0.12746394	269.07684	30703	35876	26399	31884	42087	28791	17101	27856	43517	11656	16452	31627	53189	17267	25664	38718	49396	58844	69072	16380	20224	30105	31214	34026	11962	915	20743	7917	27543	22806	26158	27845	43588	30037	17426	25346	42942	24805	51592	8847	23256	43093	0	0	0	14810	13995	0	34307	24281	32907	29749	43301	391	44245	22568	27563	35104	12865	17494	35386	8973	67690	54843	27117	51316	38957	53020	0	4864	5705	26605	25384	16750	30793	22601	0	19296	28134	9074	17078	7461	7603	3011	28888	15865	27931	54037	53711	67935	0	14328	63476	10370	6560	377	33036	32145	26265	28130	22112	41700	27684	12585	0	46750	26768	0	20887	108430	Peptide	0.54545456	1.0909091	0.18181819
4	C11 H12 O6 N2	269.0768	269.0773	0.07872	269.07684	12087	14861	13025	14087	20307	12843	5203	10750	22665	3945	4379	10048	29745	7185	9975	13969	17824	34396	33659	5198	6168	15814	11661	13014	4702	734	4771	0	6814	7295	10298	8685	14008	8312	6237	8151	15244	8917	23882	3003	5753	19484	0	0	288	6280	5219	0	8865	8757	12792	10866	20090	282	24367	18377	11905	13820	5248	6222	13514	2470	42830	25516	15729	27487	17558	20582	1889	1860	2300	6689	6646	6165	6325	7237	0	6708	10202	0	6769	3044	2358	1288	18564	10740	8948	26574	24321	23192	2471	4086	28074	3362	3048	555	11395	12975	17653	22516	18490	15199	8791	7955	3265	17879	14308	0	5243	59791	Peptide	0.54545456	1.0909091	0.18181819
12	C16 H12 O4	269.08084	269.08124	0.13708507	269.08087	21934	29003	21685	21850	18087	9987	13142	15676	13858	26765	21998	12478	12264	9983	16620	19879	18504	20424	27741	27084	28821	35125	20845	28533	12656	26574	15477	9986	15814	14814	16984	18742	20616	12304	39111	12481	17220	14109	19137	24429	25205	11151	2072	1634	2115	13469	19354	2402	17113	17810	25484	20400	16912	1304	20413	13932	14993	25327	14578	10881	17927	11678	22212	17778	11660	18532	13733	19482	22032	26358	41037	12925	14763	14064	15270	17769	1518	12547	21909	0	18123	21044	15884	12351	16328	12443	21886	13738	18422	38515	21954	26145	30281	18315	26902	2236	16258	19387	17860	19495	17920	18025	17177	15792	0	15811	14825	1423	15209	15956	Phytochemical	0.25	0.75	0.0
20	C16 H12 O4	269.08084	269.08118	0.13729438	269.08087	31716	32835	35743	30914	43646	29466	24944	22607	30928	52728	45585	18722	40403	34978	26808	34943	30942	58095	67200	41050	46782	50628	29804	38590	27705	37044	23157	46301	22808	22667	26532	25153	28284	22785	61501	20612	38317	24681	26708	38776	37141	31370	13197	5515	4892	33203	34291	8850	31066	24075	35462	30351	37839	8985	26259	26800	28684	35533	19146	22045	32837	23880	39978	32658	21410	44542	34659	27021	35847	40249	48846	21014	22530	16265	14570	26990	3432	17934	41986	47974	29634	25357	17206	24322	40959	26379	41559	32600	37821	38242	32360	29981	44856	48369	44212	13087	38616	30236	27672	39154	37194	31057	21711	24376	23561	27617	27683	5371	31260	40818	Phytochemical	0.25	0.75	0.0
16	C16 H12 O4	269.08084	269.0812	0.13540228	269.08087	48253	53274	36186	40035	41173	29507	21818	30588	36129	80919	55492	21559	41490	31917	33169	42337	32135	67017	66056	63793	60478	67119	39246	42279	28123	59319	22958	44882	27968	23111	25583	28288	33289	22787	89133	28912	34059	28527	34455	51206	50563	26572	3889	2715	2704	35082	36853	3066	33167	26500	44934	46507	41306	2772	34333	28434	28544	45553	25482	24758	34917	27657	44911	25013	23351	52249	33324	32160	60834	76676	76346	30533	21570	20884	26657	30962	2635	20871	46807	47756	33454	42365	22957	38350	41698	28255	55240	34813	35204	58665	46868	43924	44929	54062	71359	4235	41387	42948	33225	33009	37617	36048	22357	28975	24907	41261	27611	2452	30783	45132	Phytochemical	0.25	0.75	0.0
18	C16 H12 O4	269.08084	269.08118	0.13528804	269.08087	54034	51942	45555	52382	52010	34465	31648	39218	37461	82447	61175	29168	51340	43255	35864	57807	37120	82426	123927	66878	60965	72466	46185	55974	37610	55658	30685	55760	34357	25934	25727	27791	49367	25768	68880	31041	42750	29819	38045	53958	57487	36667	9879	3147	5205	43496	42665	14305	38815	33283	45701	48810	44336	5378	43931	37925	28299	59019	22894	26011	46435	30702	59647	37914	28748	53413	42671	42080	45768	60746	77965	31525	25499	17262	31475	33984	3011	24343	64847	63765	47014	41440	31506	39634	55284	41380	73253	50823	49822	66006	60354	58860	62799	54677	71001	9007	50786	44603	44368	34648	42277	44922	29105	40684	24176	46542	34832	9725	43571	57071	Phytochemical	0.25	0.75	0.0
14	C16 H12 O4	269.08084	269.08124	0.15414774	269.08087	36831	33230	26836	31053	29151	23897	19739	23331	31506	44741	38549	18116	25822	19538	22483	36844	29154	50107	38105	53902	47385	50243	27997	28592	24546	50445	20071	25933	19918	22641	23029	22939	26767	17100	61199	20282	26622	18029	25752	37694	38369	22789	0	1777	1863	26085	29627	2925	26725	21971	28532	31770	24849	1987	33304	24079	19175	35577	15142	20866	24727	16689	28715	24193	16166	34223	26212	25972	42799	51210	65202	20034	23327	18920	19713	27191	1631	19985	35827	35027	30466	28541	23985	23984	33021	21577	39474	24007	28136	47119	34832	27651	50375	36073	44109	3487	27221	27618	28011	30056	32633	31268	20449	32373	16783	27648	20705	1881	31902	28474	Phytochemical	0.25	0.75	0.0
10	C16 H12 O4	269.08084	269.08124	0.13524547	269.08087	11481	13529	9763	13823	9873	7726	9006	10537	11835	15373	10658	9131	9319	6117	8717	12344	10205	12622	15569	12701	13487	20513	12218	12112	8429	13674	9849	9057	8026	10270	8429	9847	16085	8228	24238	11433	10148	10723	8815	12445	14256	6998	2535	1251	2309	11632	14090	2957	9090	10573	12850	10991	8668	1667	12231	8941	6556	11473	6996	11092	14462	5846	7848	9272	5309	8270	6849	12122	16540	17996	19773	8269	10033	7692	8963	8852	1527	7630	13487	5100	11373	12068	8960	6269	12843	7929	18319	6456	10214	21537	8939	11288	17386	9766	12542	3378	9174	13021	11122	14138	8520	10454	9670	8717	0	13169	9678	1669	11616	10716	Phytochemical	0.25	0.75	0.0
12	C13 H16 O4 S1	269.0842	269.08472	0.44280243	269.08432	9040	22076	8610	18784	9476	7124	0	0	11899	21798	16183	0	0	5030	5423	8845	7433	14945	0	22927	23752	31320	0	0	5015	14424	5978	9403	0	0	0	8198	0	6552	14338	0	0	0	0	16573	22187	6477	348	0	523	9837	18130	356	0	5948	9030	0	0	501	0	0	4256	0	7518	14749	0	12767	0	0	4672	13819	0	7417	0	14339	16281	0	0	0	0	0	0	0	0	0	0	9375	9589	11489	0	5884	8277	0	10322	0	36815	34215	0	23484	56255	523	9398	11607	6237	0	6004	0	4930	8403	0	5815	6286	0	3853	0	Organosulfur	0.30769232	1.2307693	0.0
20	C13 H16 O4 S1	269.0842	269.08456	0.18347383	269.08426	10929	13916	13413	10358	16404	19234	3506	1937	7196	28861	13867	0	11145	9706	3833	7848	6051	22450	18064	25471	27805	34056	3336	6712	13336	3238	2506	20215	4691	1980	2791	5149	8693	3530	35444	3213	6536	4207	4757	18696	16397	7801	507	0	371	14408	10126	0	5006	0	10249	17705	12521	0	8057	4376	4969	10776	17232	14652	8081	14597	6130	6952	4623	16133	8442	5439	1616	6225	4956	2246	2669	2358	3025	3004	0	0	7936	23677	1477	11643	13215	15235	7135	5668	11505	11954	12737	14432	107166	85532	10099	31592	44132	0	10623	12857	8240	5088	5168	6763	2756	23638	13984	11134	10921	0	6765	13758	Organosulfur	0.30769232	1.2307693	0.0
8	C15 H12 O3 N2	269.09207	269.09253	0.24637897	269.09213	5854	6992	5906	11042	2762	3558	4176	6400	4388	15388	16454	4018	2954	3014	4264	11654	9428	4118	6421	14440	14540	5796	4338	12692	5510	8908	4564	16954	2606	6224	4296	5776	7262	5364	9708	3794	8020	4518	9668	5592	17308	5598	0	0	0	10400	19952	0	4280	4760	6542	5572	2126	0	2806	1632	2784	10212	0	10592	10514	5846	5488	2542	0	2486	2592	12286	14564	14298	16790	4316	5710	0	6402	4934	0	2718	8256	5966	7916	4314	2590	8602	0	0	9302	7086	2180	23968	0	0	14694	6448	14598	0	10190	5952	2128	3496	0	7060	0	5574	0	11058	0	0	7244	3404	Unclassified	0.2	0.8	0.13333334
12	C15 H12 O3 N2	269.09207	269.09247	0.27005613	269.09213	0	2308	3791	4932	3543	4074	6374	3782	3035	6346	4981	1979	2280	3904	2263	3406	7534	3294	7272	4518	8881	8330	2290	7108	4326	8854	2365	0	2823	2152	3334	2848	3351	3086	6022	2641	5350	2600	9749	6196	9468	2589	0	0	0	4072	11653	0	3350	3700	2117	5510	3061	0	5954	931	1346	7354	0	0	0	2357	3201	2257	2308	3239	3133	12938	0	8223	9663	2159	1629	0	3374	2328	0	2041	6314	0	5714	4215	1154	3977	2515	1701	6594	6439	3401	23570	3096	3461	14764	5233	5268	0	2982	3169	2133	3911	3372	4662	2307	0	0	10071	3936	0	7801	6177	Unclassified	0.2	0.8	0.13333334
8	C13 H16 O6	269.10196	269.10236	0.05668629	269.102	1016062	1145410	754570	1032950	1358804	944702	632730	770340	1687822	459901	653012	669634	1918106	374326	680058	928568	943090	1909856	2195796	1248044	1216630	964830	379128	695792	393352	317344	634806	272541	983172	433284	743110	983352	1153510	864546	1240210	839146	1241892	636534	1143772	421493	467163	1038076	28935	15286	25386	352452	731332	17989	1069238	668150	474780	1031138	1192278	19635	2268718	1384526	834956	441261	665108	741438	410188	570362	1853994	1764838	323997	1583320	488275	963200	399994	464281	548969	694902	870108	701548	823584	970148	14584	615264	911886	237673	635530	548352	675016	266324	1426298	394748	943722	875446	1121768	810320	317382	478523	812572	333786	752414	28051	1043538	540448	1298318	1842878	866306	1234626	648646	1013668	202970	338005	705073	14182	230937	2072330	Phytochemical	0.46153846	1.2307693	0.0
6	C13 H16 O6	269.10196	269.1024	0.05270114	269.102	442740	489018	424738	470232	545332	361674	316040	393252	673474	213187	328388	288222	707556	159654	323330	454284	406800	852398	868992	448516	542542	431594	355536	357122	176902	119761	139855	105824	399434	378040	364472	395222	576030	178670	491514	398214	524978	312772	535918	123193	399610	462746	19890	13001	21086	179838	198198	13882	459124	339764	465810	461438	496300	15758	892662	653328	375418	486352	315010	415610	443474	110202	794256	598216	251938	627504	459476	516088	188104	190483	262839	318252	373622	352040	137227	391116	13060	263056	372582	87696	312296	255194	310616	95243	583572	408512	435528	380230	469264	473070	120865	371678	403116	153721	171740	21424	440344	455500	477124	702576	779382	613488	319870	475804	121592	164628	604236	13186	223734	897518	Phytochemical	0.46153846	1.2307693	0.0
4	C13 H16 O6	269.10196	269.10242	0.05959159	269.102	149192	166752	120810	157712	178638	119996	93850	140926	230550	54815	50417	50430	206352	68757	103260	63117	85577	119418	119624	59634	134594	189456	122074	65408	76008	31139	103808	39195	64682	125352	124414	134044	175152	95280	161176	133984	68155	107416	96326	56901	124460	176184	17276	14888	31721	62958	123242	22456	145598	122254	140166	119372	164144	17946	129218	214076	138248	152920	107650	126354	150076	35260	125535	103583	102498	197324	124906	177404	61801	43780	56985	110676	123116	135168	36018	151534	14350	91928	130268	21946	137360	103312	111506	27668	186348	128058	120756	65279	178288	67123	50959	43637	141100	43339	51128	44210	128284	174140	192092	248684	259254	174402	120050	141540	51230	112548	178312	17556	84178	121803	Phytochemical	0.46153846	1.2307693	0.0
12	C13 H16 O6	269.10196	269.10236	0.064389765	269.102	947040	1105100	1052726	1081014	1523496	1113202	765775	698930	1757380	1111896	823238	553364	1787858	820394	659261	900285	756323	2352894	2281092	1310041	1393233	901399	723866	555117	548657	529435	680528	672265	1044081	731887	724358	912343	1333877	902313	1389365	791909	1224248	640372	1722878	939310	913066	963842	47594	24920	30431	602776	551494	28085	1004402	584927	1078677	1034338	1396476	23790	2494127	1231704	814767	981359	683569	590894	826544	665197	2008377	1716893	635837	1830018	1010082	728552	648501	803212	912972	669009	770970	740284	741716	839445	16537	750194	693586	589810	581478	548743	641116	584019	1303978	913786	824690	827591	1084732	680704	853295	1058417	1288602	643153	910733	38832	1113650	1138489	1316786	1315299	1311476	1171960	695550	802131	450365	1242040	1485418	26499	460049	4785294	Phytochemical	0.46153846	1.2307693	0.0
18	C13 H16 O6	269.10196	269.1023	0.108692795	269.102	173978	187107	180940	187503	229623	210452	165225	173707	243893	129355	77720	121046	400113	177071	185539	170344	197969	404904	356161	140230	126396	138034	183344	160308	131218	60088	149837	82371	207904	169032	167012	195529	281983	180403	164682	183648	263635	141313	192648	122687	94410	187780	27563	21613	29865	108998	88829	22773	210098	152861	188949	178653	223953	18471	389654	215659	163931	201795	127370	87576	167639	87154	300157	272058	122242	296641	195714	187860	68755	79722	86484	168706	153550	179813	136667	181812	22053	140224	175752	78740	144008	94360	123590	91287	203406	170088	171332	175302	210908	120374	168098	171886	206328	72849	86868	26889	197849	178182	186601	201315	209601	250897	135587	139876	62829	149440	173194	22390	124308	337490	Phytochemical	0.46153846	1.2307693	0.0
20	C13 H16 O6	269.10196	269.1023	0.1087346	269.102	88810	91193	86753	76059	103172	87275	76505	99428	118031	65749	45094	74780	141493	73867	109039	88644	89120	126921	135975	79659	64827	75106	87429	90380	70762	40913	86706	41958	101803	85675	86653	90599	138366	87823	87254	91144	131002	94592	90092	72480	50549	86483	22329	25200	29025	63968	45267	27595	94555	66307	83369	75030	86537	17684	141812	102471	71767	102731	70517	42980	90878	37247	117801	114283	59549	131147	80739	82072	41894	55081	51085	79546	85000	85385	61729	89186	23135	73205	89102	38133	74953	44389	65208	51451	105421	76730	83101	72529	86451	64089	78992	76818	109386	37443	47254	27678	84139	80799	76816	94786	93287	109913	85332	75986	46988	75118	81240	27181	67086	151320	Phytochemical	0.46153846	1.2307693	0.0
14	C13 H16 O6	269.10196	269.10233	0.069955274	269.102	840602	860987	769147	866522	1300222	1122083	1295884	658490	1592771	757601	533954	1146266	1998885	799050	1343704	677199	1187904	2163300	1702932	959661	970989	687697	1200100	510713	502693	335410	1206778	545689	822086	691114	616527	833216	2420562	727537	1045764	750775	2164402	1115372	636528	726532	569494	832738	50545	25764	29158	440166	382389	28844	812179	510977	799547	773692	1125628	26657	2198090	1136991	1367734	1839926	608279	397366	730477	476827	1601447	1569771	1127880	1560259	909031	1182432	407876	535782	504437	1256672	671664	685610	1075512	705473	19694	1167240	1139604	449814	960198	364487	500684	449618	1110036	699145	1384622	1454166	1977318	1226796	705490	778852	1239262	436844	595475	46266	841460	833523	989111	1143327	1205339	996107	1183330	742121	325776	1163118	1085259	27572	858418	1751827	Phytochemical	0.46153846	1.2307693	0.0
14	C12 H16 O5 N2	269.1132	269.11356	0.07943109	269.11322	32434	24685	28420	31364	23098	19045	28251	24076	18514	10227	12374	26318	18833	12718	26615	37475	39142	22807	27200	9404	8870	30472	28602	32194	23966	0	32165	17311	22713	21990	24075	25782	38579	31833	14590	26906	41153	25502	44727	11434	10162	17522	0	955	1093	12478	9307	1445	30931	22764	22466	27492	27238	5385	21411	10264	19275	42969	8960	15546	32507	6651	21090	15847	16774	33061	23273	45105	0	3715	5748	31909	21833	17242	25362	23486	960	20621	32207	0	23613	7676	15344	4705	17230	14907	38702	35502	27498	70575	48823	46525	66970	9340	9963	1756	25349	27854	13447	14401	12568	33711	25455	23045	0	47611	12603	1264	37285	31038	Peptide	0.41666666	1.3333334	0.16666667
12	C12 H16 O5 N2	269.1132	269.11356	0.040119674	269.11322	65800	62586	63053	71097	50011	38382	60771	73156	40843	31337	30195	38929	46357	23297	52736	87417	79038	67172	65740	31705	25707	91660	56898	82928	58449	3384	54956	35006	66017	56495	56759	73519	86973	67104	46426	58933	94930	56457	95862	27254	33896	49719	1701	1133	1170	39344	29908	1299	74540	52220	72052	64268	58435	2430	52625	19873	33720	96792	33929	43574	73234	18218	38735	44125	25344	54750	42841	93660	0	13275	15986	58325	52391	44906	63303	53178	754	48952	57837	28883	44718	28112	36884	14689	26929	36199	67785	64374	56323	139405	126199	254495	155477	25275	33875	1617	72598	64652	30290	27281	23735	100514	48893	50270	0	91932	41065	1283	50931	73121	Peptide	0.41666666	1.3333334	0.16666667
14	C17 H16 O3	269.11722	269.11758	0.060844183	269.11725	92719	89104	83077	85740	51173	42857	71607	91359	59445	80255	78534	63788	59243	33852	61453	100148	95990	71096	70109	105921	101380	100779	70734	92636	67495	131735	77694	53812	67061	84537	71149	84545	90938	62094	95296	74739	80888	63116	99757	78337	101223	50970	5837	2793	2359	63935	85455	4274	93033	78743	82899	74170	56676	2860	52868	49622	52948	111337	66728	68943	79498	46336	53674	57629	44205	57078	54753	102381	116570	137305	175333	66058	61896	77560	84141	91608	2718	52675	100363	53518	86668	67128	68254	66987	67117	44408	104378	57213	68789	143838	77193	64263	112612	51854	62033	5037	81522	68672	53633	66745	71707	87445	67559	98916	33291	79617	47880	2956	79348	52634	Phytochemical	0.1764706	0.9411765	0.0
22	C17 H16 O3	269.11722	269.11752	0.11121982	269.11725	114072	115975	87979	101965	102392	88531	58548	104649	88635	149880	151603	66570	80213	73513	77374	115609	75751	149413	110120	170436	167076	132141	81926	138476	95476	157936	53045	142227	95240	89668	83880	101739	107397	92019	149483	85022	113785	68334	81142	124258	145267	92647	30673	8431	13264	102188	94794	14927	104108	88230	98666	97806	95732	19162	77740	67307	68740	113803	76252	73795	114524	90173	90460	60269	54110	115806	119708	72124	119432	165088	177399	89727	73047	72398	52532	89777	6158	70085	119362	118068	86023	75620	73196	104264	90030	78052	116728	104472	107741	119223	118747	106992	154068	116455	128349	28315	95037	109103	93054	90479	85088	112047	68599	116658	80118	110154	73657	9910	90671	92230	Phytochemical	0.1764706	0.9411765	0.0
16	C17 H16 O3	269.11722	269.11758	0.08312055	269.11725	108088	132849	94869	110184	82998	65226	92187	109089	76879	129024	101117	77070	84977	57685	84936	145383	119895	105081	124144	156294	152794	135062	104119	126324	79624	214960	78054	87206	99908	104024	110335	114124	124845	79688	153344	98665	107474	82263	127782	118400	135281	72628	5851	3416	3743	94962	101409	4986	120173	102131	102750	113334	85509	3792	84120	77411	73136	142444	76906	99704	114993	83539	91503	76230	55178	90657	76729	110498	182475	226285	265990	84812	91170	91689	103761	115271	3576	80323	130719	92823	109363	87508	95900	97178	94968	64885	130069	79140	92912	182371	102006	90904	159560	78449	112701	5479	112197	105432	70018	85584	91186	116986	75520	103266	54919	101738	74133	3353	109923	92491	Phytochemical	0.1764706	0.9411765	0.0
20	C17 H16 O3	269.11722	269.11755	0.106136	269.11725	133550	162945	124365	118483	136874	102267	97119	141612	107505	183150	170557	86098	127328	118247	122689	154409	138374	161391	184025	236603	230782	160367	115442	174762	110778	287948	88020	166707	142984	124781	99156	127057	153774	135931	221722	119670	163166	90028	125490	175089	202138	141811	16161	6257	5726	120686	133125	9298	138632	114319	148472	143145	121542	8431	102307	89133	87530	158793	99847	96235	143305	108858	125382	97395	76420	139970	137473	122529	201902	250746	315350	121634	117922	101998	112059	127721	3880	83455	140727	135393	117265	80352	104504	139394	111707	98085	152092	149527	157515	191927	159404	141362	220922	144027	155637	13696	142115	145597	103849	104930	105285	160031	95091	136355	94774	142718	96633	7003	110258	124391	Phytochemical	0.1764706	0.9411765	0.0
12	C17 H16 O3	269.11722	269.11758	0.01907518	269.11722	60401	61586	55617	63368	33166	22708	50570	57237	29570	50880	42690	35121	30009	21658	41138	72033	65428	31178	53863	62694	55406	79424	49415	64916	37242	67196	57277	28844	51475	53541	46997	68085	58970	53436	61075	48029	50291	45650	74109	50241	60023	29478	4501	2662	2936	58238	50580	3974	56784	65871	60176	58250	36319	2458	38225	29734	29760	68938	39194	49509	49993	29791	45884	30731	21862	35315	26816	76271	56748	80072	102206	41111	46207	47968	63874	59789	1971	42841	58606	35087	58059	47709	49971	35758	39653	30181	65932	27356	38004	90182	56446	49649	69291	35879	51911	3956	63067	60564	37393	34314	41744	61132	45411	52115	38110	52492	33110	3113	50019	39289	Phytochemical	0.1764706	0.9411765	0.0
18	C17 H16 O3	269.11722	269.11755	0.10244543	269.11725	151535	148527	131798	134782	112873	83901	91956	135880	80470	174796	160837	92029	107003	90467	95203	160730	125700	149254	163351	195876	209456	159327	124973	161448	112153	288795	96553	144294	123134	109538	120391	123473	153921	114482	173318	118878	141652	103237	137910	158745	196846	97978	14182	3494	4819	104389	108285	5200	132493	112579	149997	138929	121924	7356	92272	91906	84741	167367	88941	110546	139997	113045	122953	91081	65664	122670	108316	147319	225803	247969	344056	109880	91737	97610	107188	137856	3685	76778	144035	125154	116839	100524	96114	122882	117369	89705	142108	120565	115069	172795	153419	143155	204179	111732	162733	9903	136364	129033	102815	103590	95770	148340	88250	136883	62456	137234	79979	3852	113540	106246	Phytochemical	0.1764706	0.9411765	0.0
2	C11 H16 O4 N4	269.12442	269.1249	4.26288E-4	269.12442	9551	10120	9286	7949	7217	0	5576	9510	9262	2282	4100	7600	9120	2670	7391	2013	17952	10981	12335	2982	4372	14589	9002	9683	3820	0	0	2815	8360	4796	7874	7381	12021	8642	5625	6185	11028	7209	19589	2861	4863	9259	0	0	0	3336	3664	0	8382	4373	8368	10659	7719	0	7833	4411	6800	13576	3327	5870	4245	1581	10860	7917	5823	9301	9249	21603	0	1329	913	6971	6105	5770	1236	6568	0	4667	8085	2921	6333	2283	2545	690	7918	6000	9552	14345	10428	37290	6498	7784	32032	4023	547	0	10215	6736	6160	6249	5505	6852	7009	4154	2483	15811	5079	0	7194	14837	Peptide	0.36363637	1.4545455	0.36363637
28	C19 H17 Na1	269.13007	269.13016	0.30608758	269.13016	0	1186	1086	1160	0	3274	4717	0	0	0	0	0	0	64171	0	0	0	0	1980	0	0	0	0	0	0	0	3469	7569	0	0	0	1018	1067	1695	879	0	773	0	1053	0	0	0	0	0	0	0	0	0	1185	0	959	0	0	0	0	0	0	0	0	0	0	0	1012	0	25176	0	3185	0	0	958	0	1326	1315	0	0	0	0	0	0	0	0	1441	0	0	0	0	0	863	2301	0	2156	0	0	0	2275	0	1702	0	937	0	0	0	0	0	0	940	0	0	0	1244	Phytochemical	0.0	0.8947368	0.0
20	C19 H17 Na1	269.13007	269.13058	0.8225781	269.13028	0	0	1693	0	1404	2420	0	0	0	0	0	0	0	0	0	2324	0	0	0	0	0	3638	0	0	0	0	0	0	0	0	0	1351	0	1862	0	0	0	0	0	0	0	1917	0	0	0	0	0	0	0	1324	0	0	0	0	0	0	0	2154	0	0	2962	0	0	0	0	2848	0	1718	0	0	0	2456	0	0	1396	0	0	0	0	0	0	0	0	0	0	0	0	3613	0	27030	0	0	16105	0	0	0	0	0	0	0	0	0	0	0	0	7230	0	0	1261	0	Phytochemical	0.0	0.8947368	0.0
2	C21 H16	269.13248	269.13303	0.20247124	269.13254	8638	9794	7840	10706	8714	0	13188	9692	9708	7178	4628	7930	15102	2874	8930	5134	11800	11440	9976	7136	13976	14736	8218	24880	8897	1658	4036	2572	8926	14456	7946	9696	24024	8172	10026	8888	21532	8302	17516	10350	10096	9926	0	0	0	6184	6890	0	10312	5376	10322	10374	11860	0	10536	5160	15560	13432	5200	7484	5226	5874	11178	9324	4812	15648	10906	14278	3462	5238	8418	5068	7850	4658	11880	6178	0	6388	9954	0	8264	0	6193	3963	7630	11947	8992	11058	11112	23770	15668	19354	22184	7100	2958	0	10418	9734	6350	4430	5672	17736	7522	10856	4920	16794	11018	0	7906	15312	Phytochemical	0.0	0.7619048	0.0
20	C14 H20 O5	269.13834	269.13867	0.061365552	269.13837	345908	345562	333962	267236	452748	458675	409459	356574	462340	254232	133645	221798	595013	415570	396888	332793	233233	610970	633208	313855	251393	217454	289031	257636	376811	94076	336849	201357	562724	384937	389712	456139	592097	428831	294600	422117	612980	319243	249065	189951	120810	357121	43623	29324	26895	178277	113703	28979	451629	274127	343037	348737	444374	26208	636313	393129	283755	423006	254376	122355	380239	117266	455890	431397	253841	493730	424328	248345	67677	134529	110035	298130	394865	432720	286652	431330	24738	275891	269038	151706	205249	117882	305311	173828	348614	314535	309929	278498	397749	225823	425919	421249	328741	146147	153375	34092	344902	352072	342806	399923	442858	573115	279795	327088	139326	286778	353959	27397	267024	559432	Lipid	0.35714287	1.4285715	0.0
22	C14 H20 O5	269.13834	269.13867	0.10914464	269.13837	140278	137016	117651	141842	142614	153440	158239	147422	162802	107566	70538	99268	155877	143344	159612	133840	122236	219523	188396	108488	99731	112780	139170	125922	159668	50741	127713	91159	200059	140359	152598	185022	245027	167604	122608	174487	241688	126559	117077	80805	63678	118210	38357	27267	30459	76359	53564	27613	181139	122215	137055	143946	147946	27864	245347	130410	110526	183148	114404	59957	150701	56844	183403	151820	81108	179786	152728	111480	46654	78070	61770	132308	138931	152917	96576	158515	23950	109622	118144	67842	108712	68511	139056	73748	131328	114216	128507	128877	156637	112719	175358	176398	158849	53492	72500	30788	126375	141131	110385	145967	144468	238150	119664	127764	75062	127976	120806	28191	110579	210629	Lipid	0.35714287	1.4285715	0.0
6	C14 H20 O5	269.13834	269.1388	-0.006409561	269.13834	129148	131956	61305	72520	103640	77244	71583	82674	61887	102782	85464	50652	63014	45778	72943	183194	78267	67620	77478	130046	65662	85092	66740	88750	100654	83846	132668	36691	81219	82812	71240	152730	84194	60548	62436	84550	77625	61522	206478	78402	50849	57851	13062	10520	14678	130242	148124	12454	155252	72183	71017	75853	54576	10696	85099	153786	48491	88418	67391	68062	94373	63452	67904	106496	37359	58304	95164	106559	49021	87456	105816	56148	67140	84626	97014	144530	9734	91166	81059	40944	68214	59433	87530	94710	71660	51462	188634	80686	51372	108514	67428	79736	180194	46515	119324	12641	69286	76072	97338	93911	222048	87307	62618	177608	40985	132506	68405	10559	59021	119558	Lipid	0.35714287	1.4285715	0.0
16	C13 H20 O4 N2	269.1496	269.14993	0.089591846	269.1496	5514	6598	6818	5776	6932	3808	3444	11358	2462	1952	0	4036	3720	3816	3997	14456	8722	5483	5593	0	0	6583	5932	11113	7744	0	5620	4157	6761	8697	7620	8125	9489	10301	2660	5739	11457	5315	7341	1507	4069	3477	627	375	559	2859	2803	607	7634	5991	4856	7397	5852	248	3967	1715	4237	14923	3725	3809	11430	2014	3724	2695	3403	3952	5725	10093	0	2041	1365	6379	5662	6571	7841	7672	488	3781	9860	9214	6385	2209	5542	0	2865	1484	7638	5225	8054	0	23527	18506	0	2387	4665	647	6987	6336	2000	1324	2420	7443	3986	5339	0	0	4555	0	8125	5013	Peptide	0.30769232	1.5384616	0.15384616
14	C13 H20 O4 N2	269.1496	269.14993	-0.028127048	269.14957	31939	25459	25212	29258	22332	16249	20625	25212	9250	12222	8098	14895	16694	6547	16815	37233	30405	28426	22682	16410	10417	34809	16485	29800	23576	5422	21458	8660	20561	20093	23566	28064	34362	29401	16315	26511	41165	15505	34022	20920	20318	14997	0	456	341	17661	11325	0	34891	18073	28340	20751	16843	536	10083	7701	10110	38894	16473	15523	24143	9306	9762	8316	9593	21685	17401	31962	0	8046	12509	21828	27200	23345	21830	23247	298	16610	19481	17893	13288	10180	21363	11497	10082	9627	26569	23802	21207	46872	74527	76234	54552	12419	20028	566	29601	22890	9746	8618	7876	26195	18132	26700	0	39078	11742	0	21358	19043	Peptide	0.30769232	1.5384616	0.15384616
22	C18 H20 O2	269.1536	269.15393	0.10187698	269.15363	224531	235230	179877	219837	183510	163148	159430	268422	142641	206232	208720	188190	125714	145073	214361	300727	301423	181914	198861	262929	266584	221675	193624	274200	218348	374984	161815	189721	278410	275828	227043	278481	296412	274174	207797	287433	269280	186857	277118	219139	267617	188002	46160	11212	12069	162691	189101	12243	260843	259915	227751	213658	184828	14145	152314	128551	149620	293251	158334	173084	292674	153854	135757	132773	108838	180017	206666	304542	289344	333821	416092	241843	228265	245287	235657	289844	3078	163408	244357	187708	198801	130343	166819	158215	173401	147578	293657	220970	203652	326648	246522	231894	314496	170712	222210	21285	188677	217992	183921	183051	164430	341816	189625	260070	126475	242233	153922	10971	236427	146739	Phytochemical	0.11111111	1.1111112	0.0
18	C18 H20 O2	269.1536	269.15393	0.041069146	269.15363	168437	160157	144650	134935	105012	84403	146060	189219	83065	113789	112527	130655	97311	86808	138640	226407	263962	102376	156818	156213	140938	136197	133254	181864	120882	205259	150605	97566	165538	166542	153280	181477	195751	154225	126590	166567	175835	129050	276588	112750	180885	111533	14426	11226	8969	96365	119063	12069	186013	164224	152562	164912	114086	8203	101055	92437	90923	223148	98110	149725	178451	86551	96841	85424	81282	119258	117946	291186	153459	166366	275027	136053	129278	152242	225262	200407	8479	103070	188907	114843	153379	102493	125701	100122	123334	113948	179901	120086	125184	260864	159503	156027	213260	92163	115993	12345	145936	135758	115142	132172	160285	196800	132033	157625	60453	152088	91050	11853	155039	80705	Phytochemical	0.11111111	1.1111112	0.0
28	C18 H20 O2	269.1536	269.15393	0.0645419	269.15363	13634	12394	10955	11177	14295	9616	11902	20195	8814	11116	6514	10595	13463	12751	14527	18216	13272	15029	16575	15442	14399	16424	13016	19968	12190	17049	9703	10666	18579	18609	17190	19261	21767	15325	16598	24541	16577	13043	13637	10994	12127	14211	3129	2695	3519	10167	9874	3212	19313	17756	12384	11831	12893	3352	11582	12199	8261	21886	10223	6970	19572	7592	10353	8341	6374	14155	14398	15768	13074	14703	16977	11815	13418	22048	12249	19636	4211	10256	12903	14260	8454	8434	7977	9453	11934	8253	16600	12337	13847	19550	17651	11383	22198	9154	12347	2849	13251	12971	9554	17952	15784	20934	12187	17405	6652	20530	10126	3029	11538	8806	Phytochemical	0.11111111	1.1111112	0.0
20	C18 H20 O2	269.1536	269.15393	0.08175673	269.15363	189545	224792	189223	173373	153107	129897	170941	238648	127036	163514	148226	164310	132605	134314	186286	295621	302495	164164	207251	205835	212411	199167	161919	249337	166769	293726	185636	141039	234690	226447	185415	239803	257800	217248	195834	211958	261065	159727	289334	167723	208080	171469	28527	4116	2927	149504	152993	4288	240718	212479	198407	208277	145675	5258	119242	130780	132008	258842	130538	182353	224253	114827	128643	127922	103071	158523	160570	285299	234354	272188	371651	190595	205207	232423	289385	253926	2360	157562	216126	174184	174257	113795	156993	161316	154971	133561	261905	186325	170225	324255	210917	178629	287741	136293	161399	10215	194910	197649	153860	173356	202960	296464	181945	228001	100009	218132	131012	3472	203173	119950	Phytochemical	0.11111111	1.1111112	0.0
24	C18 H20 O2	269.1536	269.1539	0.076289065	269.15363	174736	193755	163424	170944	156761	127539	115973	197362	118046	168154	218898	133282	145083	120838	168059	237176	213031	163127	192516	244969	236705	166241	143098	225891	165956	284033	117755	212279	190497	192178	162423	209773	212083	203038	208417	224453	225332	139477	211211	191384	217232	167509	22556	6361	9690	140141	130931	5983	212423	190361	169813	176259	153190	13093	117879	109464	122906	220908	123810	121478	221536	125061	123019	101096	100697	173578	183836	223264	217939	212717	259535	188326	190395	183887	156495	184853	7387	138084	209940	162853	160301	118368	121496	160647	127231	116195	242103	155033	164933	250699	161549	176115	252649	154382	180626	13452	164882	180175	146317	114003	135926	254010	120154	216769	118172	191534	113717	4701	185423	109240	Phytochemical	0.11111111	1.1111112	0.0
14	C18 H20 O2	269.1536	269.15396	-0.004165162	269.1536	62356	67528	51040	56491	32970	25754	68312	70253	34454	41222	35143	55523	25640	28228	52286	72326	96434	31553	33898	50098	50650	52233	50830	67138	50531	56756	65860	26663	51044	59724	49501	76216	64994	45617	42011	68860	53078	49163	102435	37925	52527	30555	0	1888	1756	40436	54166	2604	61738	62404	51371	56436	33905	1431	31674	31807	31130	80481	42608	69642	61602	24657	30793	27745	23697	28591	27744	114255	44815	51175	70818	42582	49329	64779	79024	73852	1159	41787	69472	30987	56917	44488	57422	43490	42082	29656	70895	30798	38054	124477	59803	53425	83671	29217	38874	2431	56115	54688	36685	54628	52539	58312	49778	65859	22132	59040	28536	1603	69377	22542	Phytochemical	0.11111111	1.1111112	0.0
6	C11 H24 O7	269.1595	269.15997	-0.16552246	269.15942	4303	4787	4406	4112	630	819	0	0	0	17825	39504	0	0	1166	0	0	0	679	0	2871	2377	0	0	0	0	0	0	11376	0	687	0	0	0	0	2182	0	0	0	0	10676	4279	742	2350	0	0	11519	12760	0	0	0	4824	4002	0	0	0	0	0	0	57327	1015	10305	28403	1464	1550	1312	686	1411	0	2933	1906	4091	0	0	0	0	0	0	0	0	13437	0	0	565	0	0	0	0	0	0	0	12683	1472	0	5171	3051	0	4455	3218	0	0	0	0	0	5683	858053	0	0	0	0	0	Unclassified	0.6363636	2.1818182	0.0
12	C12 H20 O3 N4	269.16083	269.1612	-0.0627081	269.1608	0	0	1733	0	0	0	2394	0	5983	0	0	0	1544	0	0	0	3164	0	2425	0	0	0	1364	0	0	0	2163	0	1418	0	0	0	3177	0	0	0	2183	1106	4963	0	0	1331	0	0	0	0	0	0	0	0	0	1756	1461	0	14880	7243	2197	0	0	0	0	0	19039	19065	0	2147	1113	4576	0	0	0	0	0	0	1158	0	0	0	1713	0	1509	0	0	0	2231	1426	0	0	0	4059	0	0	0	0	0	0	0	0	1600	18066	15871	2467	940	0	0	2136	810	0	1043	21598	Peptide	0.25	1.6666666	0.33333334
10	C17 H20 O1 N2	269.16483	269.16513	-0.024346778	269.16483	13674	10640	14562	12891	0	2080	5449	31273	0	0	1337	7668	0	0	12207	88496	14431	0	0	1929	0	2537	17647	105467	35675	0	8525	3975	20634	27914	15236	20388	58906	21782	0	16246	34850	11861	7914	0	0	1707	0	0	0	6277	0	0	26640	21051	15596	14354	1634	0	1786	1355	794	115171	0	0	73374	0	4340	1789	1608	0	2700	20197	0	4554	0	28816	15655	17555	21327	23818	0	8442	21835	0	17856	0	0	0	0	1123	49037	4205	5887	292358	27823	0	76488	1053	2013	0	14570	13666	0	3504	2696	57088	6382	0	0	44236	970	0	21809	2098	Phytochemical	0.05882353	1.1764706	0.11764706
16	C15 H24 O4	269.17474	269.17508	0.023056885	269.17474	81190	90880	80843	74393	98865	66327	391409	77502	43968	31688	34937	56573	92792	173328	63971	117163	146162	67447	76908	45176	36343	68025	51623	64106	71973	133730	366792	57860	87549	83159	68752	94173	73403	66581	26911	96915	75221	57238	147253	24942	43436	68632	18383	2128	3489	41331	55740	4042	90775	69022	95257	90100	69597	4664	46966	83374	52978	127318	24908	58018	119544	17879	91665	44681	106728	104909	115720	133771	22547	35784	44300	61871	71950	100919	124726	82980	2694	38041	83099	89222	46900	55052	585022	651528	112687	62195	128681	58094	67438	217141	111207	101992	140527	44126	62302	6136	96176	97845	57867	137290	173056	94967	36113	61008	26765	82024	82900	2707	75940	55036	Lipid	0.26666668	1.6	0.0
24	C15 H24 O4	269.17474	269.17502	0.05991836	269.17474	117908	116962	109897	120337	188524	115574	316967	79402	105986	101626	80288	59158	137352	617212	102558	96452	92168	123366	147582	83677	81190	59926	68952	63415	114530	55631	276806	209593	111359	105385	75794	100182	111473	81913	101857	103610	106178	81500	102685	54612	60971	109443	69313	19103	38409	72186	64573	22010	104731	70866	122727	117617	137245	49849	123637	89981	96299	128156	95497	61016	123884	45048	253397	78124	270736	237631	299417	96247	21750	48916	35755	67497	86709	104293	66315	84219	47128	66765	62582	278354	47696	122980	201229	177287	99022	105806	103114	92068	104884	103686	465847	375199	129688	79131	71703	32600	122734	129286	141964	72868	105500	114008	66032	93990	191851	81256	114265	20759	83168	98873	Lipid	0.26666668	1.6	0.0
20	C15 H24 O4	269.17474	269.17505	0.045422334	269.17474	203383	207660	210923	187664	214015	210228	764102	225932	117856	130916	112261	119421	187844	511179	164371	264309	232030	199482	228061	153229	156277	160920	118156	163577	203284	160270	826115	188852	296268	205123	226536	246215	257422	234646	118277	243181	271785	145925	263586	73727	93706	199197	102035	13014	12153	109541	127750	13972	245498	164453	196427	205826	186790	31950	131338	144743	139525	309948	104832	130062	275457	56164	222125	117705	276523	295457	357109	247796	54156	66593	88030	170098	212761	262416	273166	223263	13135	116674	128196	329726	90716	111983	730348	655212	172288	159539	216042	174524	198294	337667	429961	332194	317857	116763	141723	29353	208867	209107	136754	205851	250233	297106	115630	166885	151819	241285	168987	15266	166120	154028	Lipid	0.26666668	1.6	0.0
10	C15 H24 O4	269.17474	269.1751	0.003123065	269.17474	21485	16655	13308	13927	22738	11377	18630	15923	9888	3407	3917	6825	46093	14449	8450	22096	13381	10431	15629	3879	3449	39118	11767	10412	20324	7349	25205	4629	10130	10795	8585	11470	8853	6905	3615	11143	11154	8971	18249	3396	4030	6314	3648	1335	1790	12351	12375	2504	7754	8536	18523	17285	13790	1654	14563	26710	7624	22674	5982	8397	20147	3181	14129	7970	11222	16650	9464	18718	0	3050	4095	5360	5897	12409	17122	9826	1206	5111	13442	14350	11098	11167	21374	20551	31325	15941	30066	5771	5440	90536	22864	27189	49453	17655	27514	1435	15717	17580	13212	49655	56995	12231	8018	7537	0	20443	22600	1387	17975	9754	Lipid	0.26666668	1.6	0.0
22	C15 H24 O4	269.17474	269.17505	0.086208016	269.17474	2389434	2295124	2219114	2404974	1277290	2831134	2230516	1419443	494290	849817	987016	1071202	1376842	89589076	1941940	892798	823062	1581466	1831939	1427660	725982	755644	647758	603096	1074884	665954	2581374	1810376	1102460	892530	1442408	1445842	1101828	849830	1532048	1100366	1596662	974850	1418388	1245690	508298	1174856	2969864	493616	303194	1684201	422658	716530	1628740	844674	2301525	2379498	1399192	1040672	872226	1325346	979780	1195634	1458885	488842	2358148	848412	11565344	403532	26049394	2538942	6763334	1145606	544128	1938866	619506	874408	773092	1236960	1001342	743460	4375160	481116	494540	1383898	415368	1225466	2406738	1651965	909384	1108334	697966	2002454	2252673	595266	2021540	1574300	1251340	1001656	1385982	1225260	1702049	2492656	1842366	804272	691312	1017548	390558	1573146	1113294	785796	542870	298030	670836	2586024	Lipid	0.26666668	1.6	0.0
14	C15 H24 O4	269.17474	269.17508	0.013444613	269.17474	72280	69636	73151	66519	71447	46476	178359	57076	32485	25653	21042	38203	63759	97311	45888	90034	91112	47069	41464	25461	21059	70532	51738	52693	59162	76548	188623	27974	56715	52389	40508	60722	53571	41509	19926	56634	45314	40787	95044	16370	31561	38907	8983	1722	1440	26394	34787	2309	59310	47491	68984	64277	52591	2070	35248	60682	45709	96886	17762	34093	71266	11609	56676	32063	71098	58943	64651	85878	18056	23051	25599	36164	42866	57081	76427	51976	1277	28220	67878	52084	54157	35553	277582	318254	83873	45325	113902	32238	45759	258053	81494	66738	138569	24134	45016	3355	62431	52086	37910	118277	144020	52040	36356	28256	0	74915	60607	1670	73185	34291	Lipid	0.26666668	1.6	0.0
26	C15 H24 O4	269.17474	269.17508	0.11674764	269.17477	23067	28774	24545	28144	28172	20851	117193	24688	23143	15065	19160	17175	24981	71576	27259	33574	29465	22461	34865	23519	21755	16330	19354	21524	21608	14944	100017	42882	29680	26925	23196	25846	33696	24840	15990	30811	34084	23578	33902	14259	13753	20899	15105	12036	18170	23009	12955	10159	29574	21144	30749	24473	23015	21547	29681	30025	23567	53031	19715	20312	40375	12110	34368	18111	42587	29403	39117	44074	11548	12772	14164	20310	22288	31098	21823	26724	17928	19087	16164	36725	14925	19151	45695	32520	26387	22744	30950	18877	18069	24732	66246	60120	35540	14490	17720	11776	28344	34639	21970	25542	28394	35282	18449	21774	28911	24756	17213	10622	21458	23231	Lipid	0.26666668	1.6	0.0
8	C15 H24 O4	269.17474	269.17514	0.010747202	269.17474	6688	7037	3489	5508	7414	4224	6872	5556	4815	1263	1302	4258	9809	6072	6034	7955	5704	3775	5125	3725	2072	10958	5800	7511	9867	2847	5720	1862	3056	4138	2912	2464	2438	2644	1552	4621	3161	4261	4795	2027	2104	3203	1387	1027	1071	6231	8032	1322	4095	5896	4459	6286	5719	802	6416	10869	5213	7835	3894	2465	5545	1297	6654	3676	4733	6640	6217	6094	0	2984	2374	1648	2382	4128	2970	5104	961	2700	11300	9489	6473	6004	7530	6038	11977	5056	16359	1993	2541	60858	10636	12022	15951	9086	9126	1129	6346	7753	8849	23001	33386	4193	3709	3222	0	7415	9923	754	10967	5153	Lipid	0.26666668	1.6	0.0
6	C14 H24 O3 N2	269.18597	269.1864	-0.01875183	269.18597	16691	18750	14145	15804	8973	7391	10973	22601	5558	14988	6644	8276	8369	9229	13157	22663	12717	11449	15603	17810	18702	61053	9675	24859	14790	8655	11465	3686	19664	14308	17483	19250	23194	14474	18715	17018	20175	8137	13758	17442	9334	8428	0	0	0	16121	8694	0	25201	16778	16421	14554	8785	0	7225	3225	4268	30390	927	2404	23748	4540	8185	3578	4504	7076	11288	19035	6004	11718	12481	15406	14082	14802	11639	16169	0	10792	11636	7389	8915	3797	3145	7452	3466	3392	16765	10039	8896	46575	31328	18079	54616	7082	15631	0	17101	17032	3797	2342	2666	20548	7468	16152	0	30167	3919	0	13166	10114	Peptide	0.21428572	1.7142857	0.14285715
10	C14 H24 O3 N2	269.18597	269.18634	0.009948432	269.18597	3028	3993	4189	4623	5486	3389	2744	6440	1932	2266	0	2139	1906	3033	3371	8292	5451	3842	5531	2002	2059	6711	2791	6897	3557	1691	2838	0	5071	3477	3857	4862	6776	4539	3975	2625	8557	2839	7563	2192	3876	3227	0	0	0	3232	1741	0	3623	2857	4697	6675	4757	0	3005	1124	1863	9134	0	1487	9541	0	3363	1542	1851	2654	3334	6638	0	1975	3401	2267	1732	2317	2382	4329	0	2523	4284	5991	3208	811	777	1377	3298	2321	5555	2799	4110	13258	43749	6593	13926	1450	2112	0	4642	5186	2785	1438	2107	4709	1312	4352	0	7730	3062	0	2735	3399	Peptide	0.21428572	1.7142857	0.14285715
4	C14 H24 O3 N2	269.18597	269.18643	-0.009948203	269.18597	59758	67599	64041	55193	9980	9814	34250	32391	7475	22663	7828	16856	10154	5767	21349	49126	26246	25311	20503	29420	23374	294183	23252	38189	48659	7403	39376	6670	32326	20215	25423	34425	40249	27747	34507	28383	40437	17176	33286	25892	15871	12519	0	0	0	28620	18181	0	42372	24979	62750	56354	14647	0	13850	3285	6545	84736	3182	2322	45197	9601	8572	8883	5732	14882	14171	33076	4714	23122	13561	21290	22767	24516	26186	21196	0	19914	48010	16453	18263	7192	8486	13155	5227	8659	63794	12647	18987	835164	65647	51738	904680	14480	28088	0	57709	66724	4757	3119	3984	31096	15129	35988	9462	364257	4780	0	55203	13003	Peptide	0.21428572	1.7142857	0.14285715
8	C14 H24 O3 N2	269.18597	269.18637	0.015371972	269.18597	12999	13476	11898	11641	4791	3707	5981	10237	1908	7246	2589	8288	3838	3901	6403	13071	9425	4482	9444	10349	6979	14150	5962	15830	8961	3166	9160	3085	10048	8184	11886	12940	12814	9442	12808	9442	13455	5548	14251	7490	7103	4716	0	0	0	7782	7231	0	14585	9964	12551	13222	4363	0	4131	2224	1673	14744	0	2199	13521	2127	3842	2776	2822	5476	4641	15625	0	5368	7627	10923	9631	8154	9052	13266	0	5401	7884	8027	5672	2112	2647	4454	2428	0	12435	6096	5423	46671	308464	33664	34163	3825	6253	0	13364	12013	1652	1014	1895	10529	4906	8142	0	16911	2060	0	9751	4343	Peptide	0.21428572	1.7142857	0.14285715
12	C14 H24 O3 N2	269.18597	269.1863	0.024271088	269.18597	1361	3164	4156	3237	6435	2946	0	2996	2126	2121	0	1388	4623	2776	0	5617	6628	2790	3316	1779	2346	0	1596	4673	2402	923	0	0	1695	1252	2287	3738	5208	2370	0	2075	4314	1127	3695	1552	0	1720	0	0	0	2794	3451	0	2853	2673	1976	4472	3976	0	1835	984	0	5514	0	0	0	0	3174	0	1414	3837	3346	5918	0	1720	0	1872	1291	1068	2983	2233	0	1383	1949	0	2176	1212	811	2627	1649	0	3975	2940	3216	12181	46654	18786	10104	0	0	0	1871	3128	1523	1852	1095	4424	1022	0	0	3428	2005	0	3243	3817	Peptide	0.21428572	1.7142857	0.14285715
20	C19 H24 O1	269.19	269.1903	0.074816346	269.19	35568	43494	34523	36141	24281	20565	45190	42011	30077	11599	22604	39712	16724	26694	35958	60763	121607	16137	29442	18962	24346	29886	28965	34382	40044	34481	51013	16594	32627	44706	27711	42007	41286	29233	15340	47276	41277	34933	112598	17910	30409	22724	1338	0	556	20050	26087	624	37272	42603	38999	39731	25628	724	23413	36045	25535	49924	18166	39826	42941	12513	20237	19150	24583	27206	29454	107472	25619	31259	39750	23975	28246	48073	96946	45413	368	31745	53552	34181	42551	16647	33473	16227	46231	32903	74240	24762	22181	123897	47223	37822	59269	22227	24135	586	41947	38818	47112	56798	63333	76332	34845	22932	19982	39866	39297	609	44265	14776	Phytochemical	0.05263158	1.2631578	0.0
22	C19 H24 O1	269.19	269.1903	0.01929866	269.19	68502	81115	57818	72483	51621	43641	79882	86219	46050	36611	45537	58760	33213	55401	70078	104269	190379	41615	62528	47100	42134	52663	61047	66443	70389	77366	88303	40204	75664	88419	64438	87629	83935	56079	48285	95516	78443	69462	183312	33909	60250	47912	0	0	363	35752	53672	0	82531	85005	71479	68558	50593	1282	63820	60410	55089	104597	30199	65720	85187	23853	49180	49787	44716	48939	54155	187889	58119	59842	83060	46382	56809	78094	144184	100004	1055	46579	105984	56340	76005	42026	54084	35465	81292	69264	128497	51990	51100	190931	74855	48885	90186	47378	59559	0	59399	73383	96205	103240	100412	110750	65630	56399	32868	68237	70534	0	91673	34815	Phytochemical	0.05263158	1.2631578	0.0
26	C19 H24 O1	269.19	269.19034	0.13193433	269.19003	68831	71643	66708	58385	78486	38435	55208	94677	65241	30901	58014	61625	90041	59012	61960	117241	116117	53585	83258	55099	55527	65744	54513	74013	80143	122446	58787	68170	83370	113332	77813	98279	87885	67013	46852	115754	77481	71524	125073	49548	65102	79259	0	0	0	44101	38661	0	86303	101445	74401	64990	64405	0	62175	88515	53225	104933	40955	48204	94118	32829	55528	59979	36209	79113	75764	144954	87476	63859	88623	57330	65880	127702	98987	104034	0	64744	94668	83608	66525	48705	49919	48113	87016	54261	144924	50934	52367	133998	64912	68368	98985	55061	55384	0	71784	86304	117877	134026	150652	113461	59075	71485	44690	71371	81602	0	92652	36124	Phytochemical	0.05263158	1.2631578	0.0
28	C19 H24 O1	269.19	269.1903	0.071331516	269.19	19755	15980	14338	16700	18398	11792	18303	27758	12107	7502	10061	14542	16130	16646	17637	26414	27411	15996	26263	9943	11013	10824	19079	16739	24825	18481	17246	11453	28168	33461	23300	25943	22832	17984	10219	37530	16758	17571	23375	10134	10190	18062	3575	2034	5936	10820	7367	2836	23567	33166	18600	16136	15420	5990	20948	23171	12889	26594	9568	9931	27609	7528	12462	13308	11886	17920	18883	29044	16568	9742	12891	12904	14848	36274	24965	27743	6679	13176	26824	13638	16608	9199	13506	9038	25088	15652	44332	12466	12669	27966	16412	13877	22317	9825	10895	3927	15127	19999	21489	39611	46873	31910	17256	19410	8600	21180	22976	2325	17833	7896	Phytochemical	0.05263158	1.2631578	0.0
24	C19 H24 O1	269.19	269.19028	0.0690233	269.19	102720	118309	94306	95055	98253	62716	96381	133729	76294	47083	70186	90191	86305	88218	98030	181542	246847	67830	110771	80774	70861	75234	86278	123361	102449	120608	109067	70067	116626	143877	102952	137349	109926	106142	64745	164027	100125	95381	241720	58802	91691	117490	3835	0	0	61589	81918	0	127483	131026	96174	103677	89134	0	96044	98172	68631	157376	57463	77799	142401	38766	75803	72816	54410	89388	97429	227271	89527	89654	123048	80641	100764	151781	183524	136166	0	78526	128713	89134	100853	65423	67732	59787	125459	82644	166845	68011	83829	246539	101520	88083	153158	67010	86326	2183	99740	106522	169380	158910	167586	149747	84733	103484	48217	114185	97005	0	126431	56496	Phytochemical	0.05263158	1.2631578	0.0
18	C19 H24 O1	269.19	269.1903	0.033245813	269.19	17678	13795	11664	9891	6756	6590	24678	20048	9826	6609	7458	14716	3823	10169	13590	23016	44933	5303	11826	7089	3521	10435	12896	16871	16084	9373	19817	5144	17321	17122	11108	17968	17972	13485	3963	13178	12477	14658	48175	5084	8961	9356	570	366	425	6607	11572	473	15799	18920	12394	12741	8215	0	8039	13101	12166	21755	6260	18662	16879	4746	6818	6947	12025	5750	11034	55226	8088	6823	13544	6699	9843	17759	43250	19320	363	9079	27358	13558	25128	6887	13703	4034	17043	16459	25415	7151	7853	63458	15347	11648	24404	7200	5881	0	18763	11839	16868	24187	28222	21948	12334	11857	5078	17005	12309	429	25174	4394	Phytochemical	0.05263158	1.2631578	0.0
24	C16 H28 O3	269.21112	269.21143	0.049091656	269.21112	113010	108624	105266	112977	50362	99480	635934	94524	39467	50873	111476	49296	41571	350541	66094	81010	175800	38260	49928	54029	54382	55571	46337	60848	63320	104273	623460	322429	74721	68878	51463	67947	53220	58383	41840	70026	51238	67251	170038	46979	113803	140230	168028	50902	143409	89828	187393	66016	74235	80208	109921	104637	44288	183169	35969	65683	68573	61770	47713	129620	97065	46236	105580	29603	247838	88657	116906	139474	54401	54481	98153	44312	45439	76992	66904	60185	158401	38431	47457	1138532	38548	115929	175801	194656	59645	58886	67912	53451	72294	95659	1153371	812675	58948	172872	116756	79630	105988	139705	101969	29336	63067	71907	49288	120157	111671	68081	63918	61233	70369	47447	Lipid	0.1875	1.75	0.0
18	C16 H28 O3	269.21112	269.21124	0.044118084	269.21112	0	3544	1729	1878	1923	0	14782	0	0	0	0	0	0	4965	0	1722	0	0	0	0	0	0	0	0	0	3208	15789	5613	0	0	0	0	0	0	0	0	0	0	2575	0	0	1187	1649	1343	1671	0	0	1354	2474	0	0	2188	0	2341	0	0	1729	0	0	0	0	0	0	0	2672	0	2495	0	0	0	0	0	0	2100	2139	0	1645	0	0	95111	0	2014	20274	18127	0	0	0	1928	0	5290	78237	28611	0	3926	1574	1729	1778	3033	0	1618	1463	0	0	0	0	0	0	1510	0	0	Lipid	0.1875	1.75	0.0
20	C16 H28 O3	269.21112	269.21143	0.09422634	269.21115	5706	5502	7433	9808	2305	4474	74788	5514	0	3020	5111	1595	0	48389	2306	2499	7198	0	2298	0	0	2001	0	2833	2569	10191	85620	17114	5315	3556	0	2987	1436	3134	0	4567	0	1556	7285	0	5098	5067	7430	3641	2428	1730	5916	2850	5323	4221	7901	6625	1145	4400	0	6706	4760	3110	1085	5063	6120	0	12465	0	31308	1951	10984	6695	2804	0	0	2471	2913	3902	10377	2556	3470	1136	2809	222474	1274	4907	50774	72197	2124	3207	2934	5394	3822	17432	122083	61050	3982	15403	2861	4284	8285	6256	3852	2000	3007	3102	2256	3647	0	3832	2593	2799	2522	2268	Lipid	0.1875	1.75	0.0
22	C16 H28 O3	269.21112	269.21143	0.052479506	269.21112	52508	59258	56095	59035	13482	67106	593348	17914	3520	11620	41947	11377	7533	315845	13328	14741	35614	8233	21223	12893	7340	16459	6735	10704	11090	78384	616887	119038	16122	15823	10253	19079	13179	19156	7511	18775	15086	16940	42887	10765	27496	72120	47605	9752	11278	17279	33480	14944	26726	18578	60187	57245	12598	26771	2831	42564	66554	21570	10260	42393	57557	11337	85000	5238	194544	32375	76236	47501	17069	25831	34941	13393	12606	17707	21554	18670	13959	7797	9232	1604926	7792	44821	192814	290542	8982	10236	15474	22959	36558	39529	1138543	443164	22327	131928	41545	19565	58308	63731	61354	8014	9171	14114	23068	42168	21835	15722	10879	11791	11695	26977	Lipid	0.1875	1.75	0.0
24	C20 H28	269.22638	269.22668	0.088091716	269.2264	14868	18349	15630	14571	1059	1984	14589	17050	1605	0	1451	9022	0	5587	20056	41434	47371	2560	2329	0	0	14845	37856	34326	39985	1524	19587	2574	8061	9346	5213	14912	6428	9141	0	18835	5551	24229	39583	1158	4848	2314	0	0	0	4254	8527	0	4676	19890	13786	15864	3126	0	2370	3675	4138	37169	5463	8491	28453	0	2435	1370	3634	1315	4672	44986	1625	0	2779	2048	2671	7876	33952	11427	0	6686	67043	18799	42546	11077	9824	2354	2720	5278	106408	3842	4677	292812	20151	15298	133283	6433	4802	0	13069	14278	3751	3223	4016	9867	6828	3757	7280	17696	4294	0	58589	0	Lipid	0.0	1.4	0.0
20	C20 H28	269.22638	269.2266	0.07938313	269.2264	0	0	0	1581	0	0	1326	0	0	0	0	0	0	0	2341	3355	2695	0	0	0	0	0	1821	0	2804	0	2378	0	0	0	0	0	0	0	0	0	0	1151	3953	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1958	0	1280	1392	0	0	0	0	0	0	2165	0	0	0	0	0	0	2055	0	0	0	2832	0	1849	1133	0	0	0	0	4787	0	0	25875	0	0	5217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6056	0	Lipid	0.0	1.4	0.0
22	C20 H28	269.22638	269.22668	0.1364357	269.2264	2917	4221	2719	2400	0	0	5518	2437	0	0	0	1616	0	0	5181	11721	14731	0	0	0	0	4125	8970	4338	20207	0	6033	0	1942	2631	0	0	0	2446	0	3079	0	5648	12520	0	0	0	0	0	0	2264	2960	0	0	3451	3251	2963	0	0	0	0	1486	13023	0	1514	6878	0	0	0	0	0	1391	15337	0	0	0	0	0	2175	10327	2644	0	1777	26284	7139	9419	3878	2779	0	0	1734	33705	1200	0	150826	9146	0	27909	0	2557	0	3480	2637	0	1519	0	2692	1093	3383	0	5514	0	0	33766	0	Lipid	0.0	1.4	0.0
28	C20 H28	269.22638	269.2267	0.10423028	269.2264	8082	8419	6778	5600	1873	1553	7257	11292	2883	1050	4995	6397	1970	3821	7852	16025	14884	0	3312	0	0	9679	20751	14799	21280	4261	8134	8105	11779	9282	4235	25583	8901	8362	1714	37392	5834	9336	14064	1588	2499	5079	0	0	0	4474	0	0	4962	11418	8605	7707	3675	0	4239	4702	3921	27377	4541	2755	15409	2164	735	2015	3050	1662	4770	19242	2797	1381	1601	2623	4516	10330	20488	7714	0	4512	23541	10600	11056	3869	6196	3074	4302	2877	47514	2261	3614	51717	13801	10754	42049	7401	3504	0	7666	8155	3396	8786	10890	14207	6241	4730	5196	13946	5191	0	18512	906	Lipid	0.0	1.4	0.0
26	C20 H28	269.22638	269.22668	0.088369556	269.2264	29484	24856	25179	23614	6510	3420	26905	36281	4439	0	7173	22623	0	8790	48944	97168	57709	0	5048	0	0	26159	58767	61537	87799	6200	24708	11217	15628	27042	14970	39871	17724	24301	4560	45979	13595	55257	57059	3475	10745	0	0	0	0	14633	8860	0	15245	35936	24977	23741	4977	0	7796	8818	9730	86395	11749	18232	56735	3761	0	5614	9632	4454	9546	59731	6417	4410	3783	5871	9261	24992	94854	24794	0	13993	98938	35257	63696	17608	16978	9132	8852	8772	171056	6741	7264	298335	40414	29478	204793	13368	10331	0	24360	31048	7993	12607	14110	29854	17368	14193	11174	43267	9573	0	132837	3023	Lipid	0.0	1.4	0.0
24	C17 H32 O2	269.2475	269.2478	0.060695756	269.24753	8007	7176	6842	8198	1253	3146	212792	1536	0	1932	9225	1529	1706	105003	1638	2225	4590	0	0	1897	2385	0	1329	1449	1716	20526	221240	15785	0	1322	0	1219	1209	1038	0	1752	1577	2611	3447	1127	10775	2689	7116	3386	0	3149	9121	4741	995	1740	6810	6058	0	5420	1181	4678	5775	0	3354	11677	8163	3199	22514	955	103391	0	4235	3890	6515	4338	9502	0	1131	2703	1466	1620	4976	1961	0	14422	1991	10631	42172	50183	2668	0	1359	2305	3047	2532	14808	8879	1584	2598	0	4730	8120	7067	10130	2022	3160	3009	1571	10228	3714	1373	2998	4564	2407	5341	Lipid	0.11764706	1.882353	0.0
22	C17 H32 O2	269.2475	269.24768	0.040735904	269.24753	0	1507	0	0	0	0	45793	0	0	0	0	0	0	17258	0	0	0	0	0	0	0	0	0	0	0	3467	47113	1733	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1278	0	1471	0	0	0	1514	0	0	2003	0	1393	0	0	0	0	0	0	1881	0	14544	0	0	0	0	0	0	0	0	0	0	0	1239	0	0	2180	0	1556	11091	22827	0	0	0	0	0	0	10410	5285	0	0	0	0	0	1676	0	0	0	0	0	1256	0	0	0	0	0	0	Lipid	0.11764706	1.882353	0.0
14	C11 H11 O5 N1 S1	270.04306	270.04343	0.10139829	270.0431	4761	8201	8303	9434	14464	8078	2546	4724	4093	3351	2607	3012	8970	3029	4937	9937	6041	16942	9347	4863	0	13013	1852	10200	5908	0	4184	0	2734	1514	3973	0	8937	4629	4994	2913	13406	2941	7910	6939	6875	4961	0	0	0	2567	5044	0	6896	2063	8896	5540	9750	0	5894	4262	5528	15451	0	7113	0	2945	5098	8702	3506	11101	4628	5932	0	0	1685	5000	5350	2204	3995	2967	0	1769	4346	0	3257	1992	4002	2592	5853	0	4829	12677	11379	20259	15078	13772	19902	7500	5851	0	7947	5532	3348	5710	6088	6649	1800	7005	0	16646	4955	0	5254	14152	Organosulfur	0.45454547	1.0	0.09090909
6	C11 H11 O7 N1	270.06082	270.0613	0.11399331	270.06085	10483	12922	9090	10848	23186	11196	3477	7058	22923	3736	3118	7285	34642	6758	4821	10376	11413	29847	28455	4107	4586	8612	8796	10933	1514	0	3964	0	5811	4761	7809	7004	12746	6422	4368	6835	13080	5697	14174	1886	4221	11822	0	0	290	2660	2531	296	10397	5237	9920	11188	19012	279	24368	15447	9467	10523	2328	6090	10520	2299	44673	28351	8176	28535	15954	14273	0	0	0	5953	7778	4267	6760	6285	0	4188	4847	0	4330	1349	839	0	17580	8513	6631	21250	17205	22474	0	2076	14777	3315	2579	0	13069	11241	11915	20322	19441	15311	6962	4671	0	11823	13315	0	3377	60047	Phytochemical	0.6363636	1.0	0.09090909
16	C11 H11 O7 N1	270.06082	270.06116	0.11071042	270.06085	3019	5407	4890	4625	7886	7607	1488	3129	11352	0	1427	4107	10533	4823	3445	2534	4833	16204	13907	0	0	3677	3739	3526	2612	0	1042	0	4990	2871	6998	3819	9354	3946	2152	4328	5440	5425	4314	0	0	8978	301	821	772	0	0	723	4031	2173	5916	6019	8664	588	6647	2904	4142	4570	0	0	0	0	18272	11457	4560	13541	5768	3514	0	0	0	4479	3845	2564	3832	3453	392	3477	2696	0	3096	0	0	0	8029	3949	1902	10315	9761	0	0	2158	0	0	0	483	5122	1922	5501	6882	4906	7260	4394	0	0	0	3583	782	2479	21483	Phytochemical	0.6363636	1.0	0.09090909
12	C11 H11 O7 N1	270.06082	270.06125	0.11550811	270.06085	24239	33388	25420	30884	47142	33674	10751	19620	46109	3670	7260	18781	53019	18953	21262	34111	23593	74488	66825	3807	4563	19560	25287	36027	6226	0	11699	0	19736	24825	23145	30547	44635	27519	2778	21502	37435	19416	24902	0	0	37052	397	0	735	5653	0	529	26459	22113	23457	24381	43611	451	47536	20292	19220	31803	5426	0	35760	0	95151	54268	20882	56514	37337	27520	0	0	1345	24560	28227	18891	21054	23375	237	15756	21212	0	14494	1634	1643	0	28165	14691	18695	41401	45699	38777	5608	9438	45423	3215	3131	0	28758	25604	23583	24298	22601	41242	20687	2434	0	46575	23125	0	8621	139466	Phytochemical	0.6363636	1.0	0.09090909
14	C11 H11 O7 N1	270.06082	270.0612	0.16909489	270.06088	7143	8845	8707	8485	18521	15773	2458	6633	22204	1833	1892	8315	22841	9368	9183	7038	9610	30658	28563	0	1581	5320	12012	7526	4998	0	2773	0	3881	2732	6267	0	11839	6711	0	5770	11552	4498	11145	1593	0	12792	0	497	670	0	0	429	7432	2977	9334	8481	18997	604	17141	7424	12136	8122	0	0	0	0	34126	26314	10689	29124	17308	10152	0	0	0	4469	3870	4319	6235	5151	304	5557	5042	0	4356	0	1555	0	13077	7935	8550	21825	21903	19005	4063	3661	11402	0	0	587	12469	10309	7483	9397	8361	8258	6315	2189	0	16437	5530	345	4346	52588	Phytochemical	0.6363636	1.0	0.09090909
10	C11 H11 O7 N1	270.06082	270.06122	0.10462511	270.06085	20101	20222	15815	18337	40211	23810	4465	13725	41240	5369	7102	12585	64107	17488	9896	18998	15436	72719	48499	3143	7092	15752	17380	17857	3975	0	7412	0	11019	9278	12426	12818	26034	10907	7694	10565	22322	11757	18491	2412	3341	27213	893	0	470	2719	2327	0	12566	8936	18037	21035	35372	335	40001	25495	12091	21769	2620	7254	23689	1487	68840	50940	14964	56001	29326	21703	0	0	0	11499	9109	7018	13264	9963	0	9893	8809	0	9189	2052	1356	0	25980	11266	12038	33883	35541	26777	4601	6409	24005	5877	2954	632	16993	16396	18989	30497	21579	22329	14273	3177	0	24688	20248	0	6236	111630	Phytochemical	0.6363636	1.0	0.09090909
16	C15 H11 O4 N1	270.07608	270.07645	0.12295138	270.0761	7569	9501	7642	7739	7852	7524	5333	5808	4774	12090	11897	4148	5022	6116	4765	10271	8840	5842	7418	7891	11025	16917	3669	6710	4032	9767	3594	6538	5070	3993	3677	5626	10121	6677	10235	5084	6321	2730	13818	9527	25835	6023	502	694	713	5831	11883	763	10114	5055	6634	7896	5821	358	4763	3608	3591	8222	2941	9953	8490	5084	15831	3408	4966	6550	8406	12954	9433	12553	18388	5065	3505	1523	8288	5521	392	4012	10798	18773	8176	8316	3252	7207	6374	3699	13748	9554	7012	0	4760	7719	0	20087	16123	759	8083	8356	5454	5031	4821	7384	4445	4796	3488	0	2756	536	7463	7305	Phytochemical	0.26666668	0.73333335	0.06666667
8	C15 H11 O4 N1	270.07608	270.0765	0.114858784	270.0761	8097	8318	4504	10133	8236	5204	6224	9322	11028	5651	4132	4477	8028	2446	6666	12063	9448	9588	12978	3371	6444	5848	7598	11120	4351	2002	6045	5829	5760	7333	6647	7799	9350	7635	4706	6162	10138	6293	15335	2478	6323	8511	0	0	268	5390	3985	320	10253	9175	8385	8301	6977	259	13742	5421	5244	10455	0	3468	9262	1847	9354	9244	4005	8390	5669	11248	0	2842	5541	8680	7898	3927	7141	7581	0	5177	8518	3453	9056	2364	1804	1864	6336	0	9937	11116	7643	23169	0	0	15904	3011	3056	457	9272	8083	6463	7477	5567	9309	6999	3326	0	9224	5572	0	7705	7190	Phytochemical	0.26666668	0.73333335	0.06666667
12	C15 H11 O4 N1	270.07608	270.07648	0.11945744	270.0761	9869	8388	13115	7631	9367	4567	8940	10106	9847	8835	9344	6952	10688	5111	6722	14500	17328	15262	18276	13293	15569	11779	12310	12263	8628	8066	7200	0	11311	8169	8854	4983	16789	9766	16650	8869	13656	11390	26770	13593	21868	9029	362	327	381	5547	7569	0	11847	7442	10341	5979	12188	539	14254	6131	5738	13199	0	9551	0	5477	11697	12038	5185	10854	12041	15139	0	8226	19801	6096	7012	3986	8244	6312	400	7951	15544	0	13146	6427	4392	9962	5846	5715	15300	10898	10994	31822	6433	5447	24293	10807	12086	0	11748	14745	9089	8120	7598	9722	7334	6511	0	16732	5155	411	9658	15337	Phytochemical	0.26666668	0.73333335	0.06666667
14	C15 H11 O4 N1	270.07608	270.07648	0.1331518	270.0761	13168	7855	8821	9487	12232	7226	6752	8077	7138	14660	7516	5802	9257	6295	5948	11746	14615	9634	12683	5661	8940	14938	7424	12270	7808	15592	6951	8176	6465	6550	5717	0	11268	5240	12903	7717	5383	7485	15089	12607	20414	7398	0	0	492	6672	8521	395	6798	7698	9007	7849	10702	306	11014	5322	5948	11945	0	10320	0	5683	11481	11526	4930	10886	8257	12695	0	15764	27585	3129	4624	2200	9020	6780	308	6658	13978	16158	11546	7831	6839	9613	11079	5018	19424	9678	7379	40484	9276	6000	22971	11016	13345	615	10252	9207	6458	7119	4409	9323	7873	7237	0	11866	5665	398	10914	10618	Phytochemical	0.26666668	0.73333335	0.06666667
10	C15 H11 O4 N1	270.07608	270.07648	0.11903922	270.0761	11738	12586	7264	10248	11781	8256	5490	9514	12386	7616	9147	8673	15565	4422	7574	13117	14602	15038	16491	7945	8888	10854	8127	12513	6159	5162	7909	6647	6380	7580	6198	6874	15486	8487	6013	7098	12358	6313	15316	5458	13290	8832	0	0	509	5643	5876	0	9801	10586	9272	12189	10041	316	19585	11216	6143	12561	0	5177	14093	4518	14905	13572	5234	13553	6957	19029	0	8019	10114	7076	6137	5646	10091	8923	0	6401	15953	6241	13536	4255	2420	3137	9238	6667	14595	11128	8980	22895	5884	3204	19719	7877	9732	678	8686	10906	9318	10644	10809	11729	7199	6211	0	13774	9185	0	9099	16524	Phytochemical	0.26666668	0.73333335	0.06666667
6	C12 H15 O4 N1 S1	270.07947	270.07996	0.24314812	270.07953	10149	11442	6393	9986	7102	7238	4828	3598	7875	6801	5274	3353	12587	3032	3609	7264	6391	24660	51861	9575	9858	23952	4362	7124	4722	3927	4652	3073	3764	3647	4264	6135	11519	4962	8674	4097	10113	5049	8281	7933	16550	12677	0	0	0	8416	14614	0	7252	2405	10327	8855	11405	0	7787	6686	8706	9020	3361	11776	8103	5107	5797	6126	6451	8653	13108	8525	3644	6750	6484	3810	2629	1404	3210	2537	0	1906	7694	6769	3114	5887	7394	7443	8941	12916	21885	28730	23090	19949	17682	25882	32642	14566	17529	0	8287	8250	3370	9754	10310	10876	3014	9828	0	9640	5423	0	6190	10888	Organosulfur	0.33333334	1.25	0.083333336
14	C12 H15 O4 N1 S1	270.07947	270.07986	0.18516994	270.0795	9914	9262	14096	6766	10910	5052	3989	3645	2524	9251	7452	3152	7874	1333	3683	5591	6239	8661	6703	10980	10731	20532	3966	5372	3615	3673	3760	0	2939	1449	3996	0	4602	4418	11458	3464	10068	1743	5444	21640	23399	3604	0	0	0	8548	13807	0	4448	3711	6956	9692	6051	0	2781	2214	3230	14463	8176	13167	0	10161	2903	3160	2107	11518	5003	8535	0	5514	6484	2560	1719	1469	3058	3603	0	1720	2014	0	3133	11298	11877	17091	2675	2744	5200	7583	5130	7204	29423	32730	7995	16410	28203	0	8558	5982	3682	4810	5666	7027	2503	19467	0	8925	3652	0	5927	5952	Organosulfur	0.33333334	1.25	0.083333336
14	C12 H15 O6 N1	270.0972	270.0976	0.087226935	270.09723	59697	56162	52226	59746	60224	63083	57852	56874	67207	22395	27757	45305	88764	43158	64716	72219	70305	88238	95555	24560	30022	58971	54504	62694	44223	1857	57220	25363	53087	49676	50215	65426	87397	59982	35630	58696	87275	50850	75739	27826	29226	60302	4619	2239	3361	27229	24368	3516	67989	44947	50840	54831	60139	2397	75997	42516	45818	82683	33721	37091	61380	22787	70166	67006	41119	76136	60521	65296	0	10156	12237	48826	46485	50913	50410	49686	2775	43746	59494	28483	43477	21464	30332	13004	56012	42266	68865	76007	76884	70141	55749	60318	89143	27956	29304	3370	61648	62968	39624	42288	44467	83758	52892	45306	0	80214	46153	2846	44395	93154	Phytochemical	0.5	1.25	0.083333336
16	C12 H15 O6 N1	270.0972	270.09756	0.07506772	270.09723	16262	22221	16753	20228	21006	21543	17003	13230	21361	7772	6091	17459	24728	18822	24621	20281	22489	31337	30101	6391	5822	22000	22313	20276	19877	0	15834	7718	18420	16571	19669	20736	33765	21020	9819	24085	27346	17302	22519	7369	9324	20188	2728	2977	4850	12403	8453	3312	24061	15383	14093	16595	27284	3475	24167	15063	16767	26977	11204	11170	17402	5895	24862	21635	14128	24194	26106	21193	0	0	2501	14875	17484	15070	17187	20083	3552	17030	19258	15250	17188	7406	7123	4247	21713	18829	25113	24423	22469	27731	15830	23476	0	12056	8318	3883	18738	19185	14919	13587	11824	30331	18778	10221	0	21091	15418	2750	23824	29901	Phytochemical	0.5	1.25	0.083333336
0	C12 H15 O6 N1	270.0972	270.09778	0.10755845	270.09723	6555	5635	4759	4743	9456	14353	1556	7056	7248	3272	1971	3460	17448	7530	3032	0	2428	16385	10935	4505	8507	7902	4281	5705	2625	1938	0	1139	6220	2878	5767	6252	10463	10724	6664	4827	9122	2376	1990	5721	2601	6799	0	1349	2636	4971	0	1257	7174	3488	4589	5143	7852	1368	8508	5499	2110	10178	2337	1331	3958	1433	15359	9365	1757	11427	11331	2949	2636	2541	1978	10074	9898	5217	0	5835	1546	2543	1967	1536	2512	1906	1545	0	3719	2849	1942	7893	9043	3440	5538	3722	8980	1954	1622	1842	4030	7051	3168	4049	3459	5287	2220	4584	2213	7989	4034	1419	1753	25450	Phytochemical	0.5	1.25	0.083333336
4	C12 H15 O6 N1	270.0972	270.0977	0.030782824	270.09723	53862	59639	54508	52672	73427	42509	22534	42609	94320	45041	41350	30574	106117	34256	28965	49833	63430	114078	100498	54576	74621	71259	35228	44253	18945	14793	24438	19823	36202	26869	37848	36760	62385	32451	63379	39152	61317	28232	76475	54910	80897	56163	2666	1888	2997	40210	63608	2261	44181	36232	52120	43820	70300	2540	106988	83826	43545	48135	38208	57678	47976	35860	130458	99413	40169	79468	48544	68740	31222	22766	36615	35765	33374	35078	22800	34518	1556	26823	30833	17399	25811	26065	27453	19040	81645	47408	32909	62028	68159	62315	31899	39801	71573	40385	43079	4596	45751	60451	66151	87581	81438	59880	25603	62720	30393	45538	72101	2023	21165	162640	Phytochemical	0.5	1.25	0.083333336
12	C12 H15 O6 N1	270.0972	270.0976	0.06937989	270.09723	143915	157420	146784	144957	148595	128758	108757	131656	163946	81752	65833	84905	169443	73144	102850	173805	145634	255854	244518	76407	86059	164356	120991	147445	82862	17186	105609	39967	134344	117118	109980	152519	199092	143721	96782	118261	213693	103082	165905	76948	101266	131446	4466	3275	3382	70069	71877	2729	149911	111158	150026	153880	157484	3073	210898	93843	86307	192302	84311	74651	172500	61501	179283	159167	74094	182307	114966	145048	31669	41482	42991	111800	107206	107546	139564	119590	2339	95633	107656	70025	86241	49962	62586	32582	102161	103286	125327	148729	144802	191288	118232	149433	205763	69512	97450	3740	163457	142989	101767	92773	97429	228678	93352	92654	31816	171875	121597	2729	86451	297746	Phytochemical	0.5	1.25	0.083333336
6	C12 H15 O6 N1	270.0972	270.09766	0.042788137	270.09723	177574	205644	160158	189019	219620	132530	82861	146338	280440	210561	175498	99974	323601	87113	95400	176494	175391	395725	341246	213601	316395	237286	111607	144684	58448	42937	87458	87994	133473	121158	121301	149160	235828	135636	248859	140141	216213	94623	231891	177464	353620	173430	4395	1326	2356	137774	207385	1456	161550	114068	193249	190480	220231	2448	353559	213066	127361	175943	128260	194562	172545	167227	349398	254139	98601	241096	173574	233672	105880	116277	167169	113144	128699	107936	89990	112043	1612	77299	92646	73172	72211	85693	88100	81383	189480	138964	113584	186089	206537	225508	102133	173176	220372	167723	183279	2566	180187	175374	161336	191942	199303	237222	100336	181714	97163	164563	215413	1599	69520	461704	Phytochemical	0.5	1.25	0.083333336
10	C13 H11 O2 N5	270.09854	270.0996	0.47114712	270.09866	224363	207140	185227	184180	270855	230378	127702	180693	318389	168613	129760	126839	415317	115513	156736	219314	176447	457985	401426	192685	241414	234380	155133	163883	117183	37481	151098	103482	186891	151698	143593	186170	315499	170868	206444	171451	324076	139711	225032	203858	244540	190615	8706	3084	3774	129187	135912	3663	190437	130043	209650	209185	258274	4194	452604	196282	112183	249552	170356	155232	227097	136105	306589	321285	112423	317645	180450	217101	99754	100384	131381	151716	150424	132183	153075	156857	2595	119624	136123	105920	110217	92306	104810	68388	194166	159851	175726	208670	219482	212465	140377	223180	263032	158843	179272	4468	208298	206372	169667	191676	190811	261879	125530	173651	86949	194308	227439	3084	112265	511352	Unclassified	0.15384616	0.84615386	0.3846154
2	C11 H15 O5 N3	270.10846	270.10898	0.07446385	270.10846	57146	28922	19507	21091	33758	28268	11923	21674	39749	22780	15914	41772	49445	13568	32276	4985	71402	51256	91458	12177	24575	40542	21520	20919	18758	1111	2588	16930	18863	12432	48020	18683	85042	19999	20068	15613	30976	32638	39695	15698	25052	34025	349	0	0	10018	15912	0	20660	12961	25335	29119	36875	0	44709	24388	43208	59302	11993	18434	9655	9791	142308	45654	24615	51277	34490	45349	4770	5021	9171	20242	18969	11276	3706	16463	0	13523	36534	10071	14139	7093	8036	4524	31073	36514	21025	50066	79408	62451	22033	24193	118288	29044	2672	0	52506	50116	51214	33827	59562	24530	37394	14312	8853	36998	21567	0	33332	87098	Peptide	0.45454547	1.3636364	0.27272728
6	C11 H15 O5 N3	270.10846	270.1089	0.033851866	270.10846	17305	18660	16403	16243	16769	11680	9797	18487	16594	7360	7645	13610	17277	6770	16909	25965	20706	29455	26119	10083	11243	24322	17646	22302	10837	744	9618	5888	15112	15069	16227	18532	23186	15871	13359	15915	22475	15399	27102	7468	14511	15334	0	0	0	9934	11398	0	20482	17378	16413	15451	16234	0	24345	10553	11375	23077	11749	13928	26592	6036	19114	18221	10524	18488	16069	28736	2441	4462	5200	18146	12229	13927	10152	12631	0	9444	12861	4655	10847	7274	8879	3132	18355	14787	17041	18451	17471	41164	13145	18804	47409	7342	7093	0	16025	13724	9008	9939	9081	21107	14867	12324	0	25341	14522	0	12767	28071	Peptide	0.45454547	1.3636364	0.27272728
4	C11 H15 O5 N3	270.10846	270.10895	0.058707558	270.10846	13009	15991	16055	13766	13336	8826	7413	12482	17753	5516	6530	10478	19479	6562	10187	16309	25848	23185	19493	6796	8367	18795	14041	16998	5552	735	6727	3558	9874	7267	10686	10862	14686	8529	11132	9124	15264	10261	32608	8840	12089	12465	0	0	0	7965	12744	0	11251	12352	13790	12460	14800	0	21292	15539	11363	14458	9604	15113	13609	6066	23813	15847	12331	19341	10564	27268	2130	2717	3499	8786	8954	8363	8895	8997	0	8133	10660	6300	9198	4706	5978	2503	19525	12233	12163	18596	13857	35273	9191	13140	37213	7190	5658	0	14763	13515	12173	17935	17600	14607	9994	9474	6999	14840	15158	0	9226	30869	Peptide	0.45454547	1.3636364	0.27272728
8	C11 H15 O5 N3	270.10846	270.10883	-0.046570554	270.10843	12567	11381	8225	9436	10320	7582	8146	12203	7855	3611	2018	7453	9926	4262	11179	15290	12203	14372	17713	1829	3555	12560	12191	14672	8495	0	7352	4200	12027	9055	11612	11194	10564	11979	5347	8984	13048	8591	14658	3618	4498	8845	0	0	0	5621	4922	0	13317	9150	10429	9118	9840	0	12130	2799	7199	12881	5112	7312	15933	2232	8225	9151	7607	10660	8946	13714	0	0	0	8071	8130	7367	7686	9843	0	6221	9716	2650	7516	3900	3936	931	5319	5462	12470	9495	10502	24665	0	12772	28637	3436	1708	0	9016	10229	5804	5296	3651	12418	8143	7490	0	14047	8220	0	9108	11813	Peptide	0.45454547	1.3636364	0.27272728
6	C16 H15 O3 N1	270.11246	270.1129	0.05888015	270.1125	9289	11083	8580	9041	8755	6631	4729	10460	7302	27232	22536	4395	5698	8517	6118	11797	6836	8270	13826	27856	31668	9398	7554	12245	6169	45656	5082	23676	6695	5258	7332	6303	8468	6412	26640	5486	9478	4741	8231	10176	13830	6072	0	0	271	9444	13457	330	8983	7522	8470	11785	8398	289	7282	4748	4868	8911	0	2788	9611	6747	7187	3260	2769	9010	7802	10926	25181	43051	54917	7027	5230	3541	5664	6498	197	4497	8200	17837	6999	3476	2015	10416	6386	3442	8141	7923	6734	20745	9830	4126	12681	21850	39286	0	11549	7353	5626	4804	4667	9008	4365	4609	0	8987	4026	0	5988	7582	Phytochemical	0.1875	0.9375	0.0625
18	C16 H15 O3 N1	270.11246	270.11282	0.12050469	270.1125	14500	17331	12418	10833	6068	5818	5337	7748	4231	35377	54391	7096	5150	5931	3337	17182	11142	4707	10535	40067	36401	28480	4453	11615	5829	69981	6801	46582	6535	5592	5423	5989	10113	5359	28270	8120	12081	4079	10165	38306	72489	6299	958	364	507	28122	40677	812	12829	5354	12362	15780	6053	481	2541	2664	3016	13795	3740	17259	10959	21226	6687	4557	2976	5138	4988	11106	62850	58886	102845	7198	2856	4154	4388	6099	406	5935	6443	42874	4547	21747	8789	35652	6667	2618	8743	11212	7093	21755	22602	22056	13396	32246	46299	680	17682	15098	3830	5702	2779	10775	2186	12290	16621	8687	3580	0	8065	2631	Phytochemical	0.1875	0.9375	0.0625
12	C16 H15 O3 N1	270.11246	270.11282	0.03866783	270.1125	13072	10550	7674	8230	6202	2890	3203	6577	4426	23841	28092	2727	5580	7154	2203	9133	9468	6356	10807	33424	34816	14777	4554	8228	5111	45325	5729	18005	5279	5196	3399	7000	5251	6285	23244	4661	7371	4564	11697	14666	26738	4808	0	0	0	9357	14261	351	6031	3426	9102	5329	4412	0	4809	3225	2825	8151	0	0	0	8188	4186	3185	3140	7002	5351	9425	24511	40988	59383	4965	3756	2488	7067	4018	0	4386	7805	0	4688	6612	3956	13685	3729	2009	9203	6682	5282	18940	9878	5729	11256	14568	23308	453	11036	11783	3574	3881	5326	7209	2579	5961	0	6344	1301	0	6292	3553	Phytochemical	0.1875	0.9375	0.0625
16	C16 H15 O3 N1	270.11246	270.1128	0.061352916	270.1125	17276	15769	8890	12616	6834	5798	6306	8327	3560	32136	40535	4377	0	4462	3829	9131	11893	4870	7977	29581	36541	20015	7042	11658	4001	80149	5570	33866	6103	5420	3652	4113	9544	6115	29950	4411	11984	2463	11880	34080	51595	6405	794	418	0	13251	21849	451	7716	5710	17216	13300	5616	316	2384	2091	5160	12335	2389	10723	6674	16686	5793	2800	3689	4635	7294	12700	63488	70288	100097	6558	5983	4141	8091	6849	315	3812	8576	31350	6006	9463	6796	26075	5361	3066	12023	7954	6054	24781	17117	15893	0	25573	39614	482	13969	15544	4631	3080	6034	7216	3757	7426	9327	0	3513	0	7088	5326	Phytochemical	0.1875	0.9375	0.0625
20	C16 H15 O3 N1	270.11246	270.1128	0.1308924	270.11252	8223	9716	12035	9724	4268	2649	4925	4244	2401	28004	43042	3055	0	4921	0	9060	5061	1668	4119	22494	37790	17758	4239	8286	3031	49873	2322	41256	1969	3477	3146	3027	4647	2388	24706	3513	4476	1755	4008	31494	61654	3963	805	0	425	13961	29839	758	4691	3602	9676	9861	4117	377	1923	1815	3188	3599	5742	14933	5532	18804	0	1714	2849	3952	4468	5395	51567	33069	74986	2882	2337	1875	2666	4311	462	2842	5647	49878	3025	12255	7648	32669	3401	3177	5757	5930	3635	15103	13822	16290	13962	35797	26430	564	12764	8153	2061	2419	2881	5472	4766	8914	12339	7342	2268	0	4991	2020	Phytochemical	0.1875	0.9375	0.0625
10	C16 H15 O3 N1	270.11246	270.11285	0.03304993	270.1125	11910	11063	8999	6960	6143	6589	5625	8159	4585	31186	38943	3589	3545	5770	3806	8817	7926	6300	8313	41292	39805	8614	4521	9293	4992	43565	4920	34045	4666	6267	3563	5698	8840	6624	31365	6357	8401	5050	7961	12711	18426	6625	546	0	388	10009	14741	0	7153	5495	10579	8549	5265	0	3765	3185	3394	10475	0	4098	0	7545	3494	2101	3610	5430	5122	12194	31261	42344	50339	5802	6732	2297	5994	5318	0	4532	5712	15822	5511	3599	2133	10544	3640	2779	6179	7404	5462	20962	11114	3286	13176	19597	32295	439	11974	9726	3557	3629	3581	10484	3719	3992	0	8220	2658	0	6257	4459	Phytochemical	0.1875	0.9375	0.0625
4	C16 H15 O3 N1	270.11246	270.11295	0.053400442	270.1125	7546	8657	6379	8021	5515	4654	3970	7096	5038	12632	7339	4571	4161	3993	5920	9550	9204	7259	9420	11697	10945	6315	6831	8271	5543	20541	4734	9238	6162	4252	5131	4556	7309	6038	11591	6787	7285	4214	9454	6237	8442	7133	0	314	298	6620	8585	344	6872	6651	6387	6783	5129	319	6400	2829	3102	6161	364	1873	9262	3284	4350	5336	3504	6305	6146	8545	13035	18905	23218	5515	4128	3866	6978	5253	239	4169	9721	7321	7330	2551	1991	5566	4332	3150	10099	5387	7186	13181	6397	3325	10226	6874	10409	761	5448	9033	5345	3481	2967	7217	3916	5510	5316	8378	3420	287	5015	5249	Phytochemical	0.1875	0.9375	0.0625
8	C16 H15 O3 N1	270.11246	270.11288	0.03754641	270.1125	12287	9063	9337	9970	8506	7598	3914	7003	6901	37738	35610	4657	6383	5855	5043	13034	10081	6997	11590	35945	35221	9058	6813	9927	4819	39283	7906	35134	6324	5107	5041	6598	10445	6803	28732	6716	10297	4882	11223	15794	17026	7261	471	0	288	10434	15106	345	8621	7370	9505	11167	9097	304	7159	4116	3802	8927	0	5050	8486	5363	8953	6661	3250	7081	7006	9525	25535	37553	51834	6910	6137	1956	5123	6694	0	3900	10719	18972	7459	2791	2418	11560	5859	0	9954	8892	10237	20078	17117	0	14114	18786	24083	0	9570	10028	6306	4398	3619	11828	4741	4560	0	7212	3599	320	6276	7893	Phytochemical	0.1875	0.9375	0.0625
14	C16 H15 O3 N1	270.11246	270.11282	0.059069976	270.1125	12462	11861	11278	10965	6773	4834	7546	9097	5300	24665	37121	5982	5061	4055	4888	13978	10135	7070	8733	35554	39144	24375	5440	9906	7217	58278	7721	30360	6289	6952	5945	9998	13278	10819	27512	6088	9177	5692	11571	24522	42376	7132	0	0	257	12709	22477	489	10433	6036	10845	13074	7040	0	4393	2426	4452	10692	5684	9161	0	8793	3643	4090	2610	6181	8451	13333	42042	49720	81772	6025	5192	2778	10849	7917	257	3787	9891	20715	6014	11472	5988	19322	5822	2854	11100	7134	8628	24433	12947	15017	23450	19552	32152	556	13641	9850	4758	2847	1695	8824	4856	8111	0	9606	3950	0	8662	3326	Phytochemical	0.1875	0.9375	0.0625
22	C16 H15 O3 N1	270.11246	270.1128	0.06932631	270.1125	2575	1926	0	3120	0	0	0	2226	0	3169	12978	1076	0	0	0	4031	2631	0	1705	2859	5572	4438	1856	3454	1551	10174	0	9083	3478	1686	2729	3798	2432	3044	3852	1916	2021	0	2223	5415	20361	0	0	0	543	2180	7245	0	3531	0	3118	2288	0	418	0	0	1786	2371	1990	3345	0	3546	0	1491	0	0	2435	2547	8333	3570	11471	3150	1712	1302	1420	1393	542	1230	2243	8800	1539	4008	1834	5427	0	0	2766	3176	1992	3387	2776	0	0	6745	4090	0	1573	1893	1490	0	0	4732	1339	2499	3235	2537	0	0	0	0	Phytochemical	0.1875	0.9375	0.0625
18	C13 H19 O3 N1 S1	270.11584	270.11615	0.19378483	270.1159	0	1631	0	2173	0	0	0	0	0	7616	3885	0	0	0	0	0	0	0	0	2276	8874	5494	0	1114	0	1518	0	5808	0	0	0	0	0	0	7969	0	0	0	0	6117	9213	0	0	0	0	7477	9452	0	0	0	2498	2159	0	0	0	0	0	1219	3845	4731	0	2786	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4953	0	4150	5454	5528	0	0	0	0	0	0	20866	19133	0	9783	16385	0	0	0	0	0	0	0	0	3713	4387	0	0	0	0	0	Organosulfur	0.23076923	1.4615384	0.07692308
2	C15 H15 O2 N3	270.12372	270.12424	0.16019519	270.12375	11276	11392	10403	8485	1792	0	15268	11710	873	2166	3009	9191	1498	1125	9671	7627	29489	2095	2171	1803	3415	7026	11153	20270	8112	1336	8484	2175	9904	7113	8813	6025	11931	7681	2278	6347	9471	12580	32585	2089	1494	6946	0	0	0	3016	2361	0	12452	8942	8986	6906	3602	0	951	0	5096	17057	0	1149	10561	844	2042	677	8164	14656	16097	37164	1273	2840	2695	9334	6148	3658	6922	7383	0	6010	19921	4002	17778	1620	947	2179	517	3596	20311	9492	6558	97461	2551	2876	45008	1357	1197	0	11829	10261	2320	0	1219	9102	7051	1564	1632	24322	583	0	35371	487	Peptide	0.13333334	1.0	0.2
14	C15 H15 O2 N3	270.12372	270.12405	0.18741444	270.12375	3017	4275	0	3151	0	1315	2557	9771	0	0	0	7702	0	0	6947	17086	9948	0	0	0	0	0	4375	21005	7456	0	2775	0	8372	8091	9824	7333	7324	4937	0	8348	7713	5341	14741	1837	0	3279	0	0	0	0	0	0	12558	11073	4980	3863	0	0	0	0	946	15166	0	0	0	0	0	0	1074	0	1942	14639	0	0	2310	8047	5896	3038	9067	9833	0	4863	2477	0	4811	0	0	939	0	0	6697	3434	1610	41081	0	2884	20321	0	1540	0	6024	3070	0	1085	0	8484	4139	0	0	18346	908	0	5282	0	Peptide	0.13333334	1.0	0.2
20	C18 H16 N1 Na1	270.1253	270.12598	0.7794067	270.12552	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3796	0	0	0	0	0	44321	1972	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9024	2557	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2250	0	2979	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1385	0	Phytochemical	0.0	0.8888889	0.055555556
2	C13 H19 O5 N1	270.1336	270.13406	0.0361988	270.1336	219586	240826	183950	211884	238850	1006788	76820	187222	116276	263820	78891	110452	170757	47577	103072	80682	130062	347830	332176	262376	403588	346972	56422	147270	62000	26919	17146	47488	258540	68133	214298	214178	378478	198456	401228	193826	294966	85762	140784	332288	249678	171832	2328	1992	2892	155454	145306	1753	235780	113896	210244	223610	240564	2056	257802	130136	44512	238174	116040	138638	105988	124084	403152	263044	38938	166498	275266	169314	58095	181610	191124	194290	233316	87706	22673	189400	2287	111180	40613	30900	63298	38727	38731	66816	128662	85156	39650	184358	234846	166954	219768	142180	244070	78235	69694	3896	212742	210376	125222	154436	141220	211846	109938	238752	99148	198152	60632	1610	59694	514198	Lipid	0.3846154	1.4615384	0.07692308
4	C13 H19 O5 N1	270.1336	270.13406	0.026786434	270.1336	78090	173448	78003	80034	66676	235120	54928	70429	153390	84635	58573	92750	95927	30683	94088	68929	80002	213412	203372	108266	124622	266946	88820	130964	60632	37452	53297	34063	67522	61435	65666	71056	194366	55647	122452	67872	170820	89090	203312	109797	242426	383751	22058	2102	3193	77472	106672	2459	85193	66738	87559	67531	73835	2509	183232	61334	44538	157706	73655	215618	69661	69779	228270	161610	33981	166836	101501	81483	63678	53781	72367	114494	58157	139302	41142	64662	1821	83198	86062	36453	36055	50004	63627	41194	62626	101658	84130	58253	75030	166204	82598	207336	204300	68766	89406	4968	75210	84369	54972	65441	66034	85779	45044	118422	55733	141196	55478	2295	67080	255320	Lipid	0.3846154	1.4615384	0.07692308
16	C13 H19 O5 N1	270.1336	270.13394	0.093387805	270.13364	89227	93698	93711	94761	89438	83291	85063	84434	73526	64546	56014	57302	104357	69951	80642	107332	135306	150271	129187	104763	96138	93130	75931	113324	79021	30879	75796	61355	119147	94634	93698	130889	153189	111917	87680	110323	147772	60878	137943	79604	75885	88623	6718	4513	6537	63292	54335	5587	112807	69270	96303	93675	116289	4754	76512	71491	55095	144563	57500	64314	101066	47000	63663	80262	47008	121592	94192	124056	24033	30582	28674	90392	98313	90795	93838	93350	4297	56311	85451	73393	54005	44564	66535	54898	64649	59709	104463	107995	96261	140225	115114	124631	157163	51661	82797	5777	88468	101584	59943	59625	79938	151311	54923	79180	37160	138114	88382	5147	92096	97524	Lipid	0.3846154	1.4615384	0.07692308
18	C13 H19 O5 N1	270.1336	270.13394	0.07517635	270.1336	22571	17278	21428	21188	26938	19893	29679	20515	11252	7696	11124	17468	27976	20482	22435	24315	46300	34936	26297	15832	13414	13542	19752	34382	25945	2674	27668	10714	28759	23630	22329	23256	32032	25578	8014	25114	36661	21159	42597	8140	9973	27314	5489	3753	5443	10870	16829	4197	24598	18390	20660	14799	19834	4182	21238	16639	20477	28589	16447	22781	26611	7206	15324	11483	19898	22903	26278	36813	5244	5572	3549	25549	18547	19648	22433	21205	5092	15716	28050	9651	15325	12205	24075	7325	19212	25574	33813	35535	27585	24759	25898	27167	28249	10713	13488	4669	19064	22670	16024	17311	20787	42561	15490	24124	6477	33548	20553	4122	28825	17896	Lipid	0.3846154	1.4615384	0.07692308
14	C13 H19 O5 N1	270.1336	270.13397	0.033394035	270.1336	417156	457087	418802	447708	410905	365147	377059	357304	313583	497963	232926	204558	430500	227432	278950	422215	304733	579376	453434	505087	415150	538724	201220	305716	335178	91057	323766	237341	533004	378144	457770	677324	739848	661265	547239	476134	835540	219239	333796	461424	259985	311551	11219	4212	5045	242824	194323	4897	606075	265494	448295	400230	400093	4803	418477	216883	199479	697523	249223	193412	403456	193031	275307	297181	147019	451543	311698	323284	63516	152840	128010	483491	499322	418984	292833	474038	3563	272736	161842	167964	124494	165686	268603	234065	177406	191363	235891	395880	477084	487450	543848	655920	566700	198773	385503	6663	443240	353427	193823	175500	207657	610759	269605	382296	120605	552621	265846	4828	266110	424063	Lipid	0.3846154	1.4615384	0.07692308
6	C14 H15 O1 N5	270.13495	270.13516	0.41692403	270.13504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15714	0	1280	0	876	0	0	0	0	0	859	0	0	0	0	0	0	0	38257	0	0	0	0	0	877	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	861	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.071428575	1.0714285	0.35714287
8	C12 H19 O4 N3	270.14484	270.14523	-0.028299216	270.14484	18721	17300	13951	19081	6379	6413	13200	18135	8606	8520	6777	9158	10394	4740	12808	25206	17982	11746	24362	9051	10092	30939	11790	22432	12889	1520	16323	14310	14187	12625	12833	15688	21589	16981	17566	13000	19582	13832	28226	8727	10022	10366	0	0	0	11821	11706	0	24044	14773	15733	12286	8959	0	11496	4630	6632	20814	5938	10417	14388	6067	6783	8021	12847	14447	9817	23822	0	3861	5691	17437	14386	13159	16169	11291	0	11544	17756	18532	12308	8143	11133	5671	8382	6485	21646	12478	9632	51843	45237	31399	46963	10349	12476	0	17520	14544	6169	7001	8315	21963	9981	15867	0	19180	11033	0	14627	11575	Peptide	0.33333334	1.5833334	0.25
10	C12 H19 O4 N3	270.14484	270.14517	-0.030907117	270.14484	6556	4469	4828	4695	2197	2947	5053	7376	3296	2735	2345	4563	2771	1401	6188	9238	9259	3636	3931	3755	1493	5405	6689	6834	6094	0	5169	5183	5245	5050	5598	6339	4610	8452	2474	5955	9594	4907	9425	2479	2296	1970	0	0	0	4167	1774	0	5147	5389	6033	6149	2294	0	3485	3364	4193	8610	4207	4335	0	2733	2603	2581	18213	4707	3544	9866	0	1715	0	6540	5972	4270	7447	4617	0	3309	7119	11852	5328	2810	3954	1409	3641	2360	8915	3829	4571	19637	23205	13654	14828	3113	2651	0	6667	8284	2209	1751	2816	3613	3663	4106	0	8857	3060	0	9025	3962	Peptide	0.33333334	1.5833334	0.25
22	C17 H19 O2 N1	270.14886	270.14917	0.13970137	270.1489	2675	0	1809	2443	1310	0	0	2274	0	0	6018	0	0	0	0	3596	0	0	0	3844	3580	1571	1157	3163	1843	24456	0	5938	1332	1285	1100	0	1331	2104	0	0	0	1239	1838	3062	8042	0	0	0	0	2902	5884	0	0	2211	0	1288	0	0	0	0	1031	0	0	2632	2104	2511	0	0	0	0	1353	1637	16025	9224	18778	1642	0	0	1319	1258	0	1114	0	5714	0	1890	1384	5050	0	0	0	0	0	2883	3437	0	3607	3845	0	0	2217	1388	0	0	0	0	1296	2888	3627	3651	0	0	1264	0	Phytochemical	0.11764706	1.117647	0.05882353
18	C17 H19 O2 N1	270.14886	270.14914	0.050704755	270.14886	4359	7686	1645	3770	0	0	2197	2657	0	8908	13012	2506	0	2121	2822	4888	5401	0	0	9566	12099	3113	2186	2455	2764	27299	3479	16056	0	1857	2795	2633	2238	0	6548	0	3996	0	6128	7211	21724	2861	0	0	0	3081	9292	0	3709	1505	3333	3506	1588	0	0	0	996	2166	0	4505	0	4450	0	0	881	0	0	3745	27267	21721	33197	1882	1423	0	4548	0	0	1220	1820	8828	1280	4512	1374	9208	0	1532	2453	2020	0	6953	3008	3915	2962	5530	8110	0	2717	1702	0	0	0	4155	0	0	2170	2578	0	0	4028	0	Phytochemical	0.11764706	1.117647	0.05882353
16	C17 H19 O2 N1	270.14886	270.1491	0.061103754	270.14886	0	3485	1770	1453	0	1544	0	0	0	9429	7409	1469	0	0	0	2980	3054	0	0	7064	9024	1900	0	2203	0	19299	2609	5584	1612	1608	3603	0	1866	3037	2713	0	3506	1354	3279	6529	11415	0	337	0	0	3165	8285	0	2603	1941	1679	3219	2739	263	0	0	867	4654	0	2466	0	1926	0	0	1001	0	1774	3586	21653	15097	22430	1975	1533	1357	0	0	0	0	2101	4281	1725	2284	1138	6639	0	0	2116	2166	0	0	5927	0	0	2407	0	0	0	2413	0	0	0	3223	0	0	0	0	0	344	1333	1968	Phytochemical	0.11764706	1.117647	0.05882353
10	C17 H19 O2 N1	270.14886	270.14923	0.005395307	270.14886	45021	39074	36177	38524	1278	4959	25902	40519	1601	31312	26363	30507	0	2347	27812	87228	50089	2600	6506	56096	48825	11437	20224	48379	111318	43163	41830	30753	24302	25952	22056	32245	49382	33668	25255	23359	41498	21907	38554	10558	5547	16223	0	0	0	11882	11363	0	39492	25781	42538	43874	8352	0	1322	649	12681	65363	0	2207	57476	3539	0	0	14055	3706	14466	105586	21030	40031	39634	27620	18326	11511	47935	24850	0	20509	66112	34563	24219	617	0	14296	937	5848	115677	49240	14598	828097	29407	0	614427	10389	26607	0	45197	43551	1785	761	863	56412	21867	4565	0	197469	0	0	97347	0	Phytochemical	0.11764706	1.117647	0.05882353
8	C17 H19 O2 N1	270.14886	270.14923	0.013470375	270.14886	7333	7478	5861	6987	1796	2941	2895	7515	1256	23754	19815	5328	0	3609	4476	12620	8293	1426	1487	30425	27095	2418	5073	8052	6631	31033	4148	29022	8316	6390	7435	8461	8734	8673	20077	7466	9532	3717	7553	11332	3462	4580	0	0	0	8054	6283	0	11388	8274	7045	5155	2993	0	1218	750	2079	7443	0	0	7728	3788	0	0	2131	1499	6535	6983	14353	28516	33259	8147	4606	4043	6195	6858	0	2603	4127	10886	2691	736	0	12357	692	0	3272	6978	4587	19499	17745	0	27738	8904	18791	0	6905	6796	890	0	0	8617	3523	3691	0	12125	0	0	4028	883	Phytochemical	0.11764706	1.117647	0.05882353
20	C17 H19 O2 N1	270.14886	270.1492	0.17319721	270.1489	4212	2325	2249	3344	0	1379	1756	1750	0	6021	15238	1049	0	0	1640	3813	5563	0	0	8236	9555	4762	1815	1673	0	42920	0	17432	2418	1430	1634	0	1721	3171	3453	2801	2985	0	3247	7137	24898	2700	0	0	0	4673	13864	0	1511	1430	4791	4542	0	0	0	0	985	1597	2798	4464	1932	6859	0	0	1107	0	0	3331	35277	19937	37491	0	2200	2047	3718	2178	0	0	0	14642	1540	5781	3308	0	0	0	2089	3169	2281	8137	4801	3996	2249	7424	9257	0	3707	1506	0	0	0	2130	1775	3795	3651	2571	0	0	1946	0	Phytochemical	0.11764706	1.117647	0.05882353
12	C17 H19 O2 N1	270.14886	270.14923	-0.023178397	270.14883	5227	8910	7065	4202	4176	4425	0	7434	2300	24858	23805	2498	1401	4826	3193	10716	5680	0	3861	38243	30502	0	2310	10183	3915	36648	4555	18016	5381	5322	3908	6357	8652	8441	18561	7773	7353	4191	5155	4797	6712	4318	0	0	0	5008	3112	0	8445	5236	4905	7167	2662	0	1953	1333	1648	6752	0	0	0	3021	0	1168	984	2687	4974	9177	16587	26488	37956	7463	7176	4656	8399	6715	0	2889	3048	0	1716	0	0	9020	0	1044	3046	4781	3850	16561	7602	0	11042	3347	20490	0	9304	8475	1436	0	0	10488	3824	3096	0	6762	1042	0	4436	0	Phytochemical	0.11764706	1.117647	0.05882353
14	C17 H19 O2 N1	270.14886	270.14917	0.033939358	270.14886	2736	3153	1954	4634	1689	2406	0	1827	1791	8148	9276	2307	0	2846	0	2585	3978	1507	1787	18566	10951	0	1709	4326	1389	29426	1071	12079	2993	2914	2174	0	2787	2780	5921	0	2720	0	4448	5807	8303	1822	0	0	0	3394	3809	0	2071	2521	3240	5932	1702	0	0	0	2072	4476	0	0	0	0	0	0	1102	0	2003	7567	0	22459	19323	3093	2089	1398	3198	2583	0	2815	1376	0	2390	0	0	7581	1467	0	1783	2482	1734	12617	5039	0	5132	0	8000	0	1517	2811	1348	0	0	0	2362	0	0	2851	0	0	0	0	Phytochemical	0.11764706	1.117647	0.05882353
6	C10 H23 O7 N1	270.15472	270.15512	-0.06633753	270.15472	136336	140243	146437	133455	26919	17210	22830	25371	14591	190005	358501	11372	43869	70137	12066	37682	11060	26479	11316	91088	91867	75402	13147	62423	15082	27925	59128	535290	24447	31745	12800	16364	13176	15512	45003	21913	15118	9352	13338	249043	118352	37484	116037	6974	14382	324933	394682	23365	24576	28896	134626	129489	16616	29679	13531	13914	19991	43559	402473	79845	385401	347413	82745	13978	44184	79245	88283	19556	153143	122103	196009	26399	14772	24157	6697	16880	0	8167	10199	800727	12660	42543	16847	16421	23516	27431	11072	51619	17760	12998	91184	72403	24666	191023	209113	12049	129722	138536	14195	12834	30145	26628	7496	196161	6375489	20161	21103	24191	10412	36332	A-Sugar	0.7	2.3	0.1
20	C14 H23 O4 N1	270.16998	270.1703	0.06518509	270.17	30868	27436	30327	26763	33872	28353	28310	31851	16312	16691	19660	24496	37099	29139	23394	61709	79444	39409	37759	31315	35773	18573	21971	33320	30652	3525	35741	21749	57662	43924	33517	55659	49240	58871	10724	52866	47643	20914	64614	14753	11966	33330	3717	1392	2128	20831	25453	2103	50764	37814	28356	28417	35034	7284	19475	19991	21179	64646	16906	25137	55097	4742	23717	17268	21990	41282	37379	70719	2863	4084	3454	26083	53066	50851	68728	50318	1541	20292	31640	40626	17644	15197	23771	7820	27947	25929	59207	43571	29748	65057	44452	40167	32103	22949	22771	2244	30802	32986	22043	23146	35256	67930	17568	29787	17887	37153	31899	2909	33506	22412	Lipid	0.2857143	1.6428572	0.071428575
12	C14 H23 O4 N1	270.16998	270.17035	0.014792436	270.16998	42938	42524	43177	39489	49597	37103	40873	57128	32100	59918	28463	26657	50322	28859	26928	61283	84627	63660	59461	86885	100705	63166	33444	33145	33605	89962	34087	32461	63166	46160	42836	48136	64175	59343	81255	57437	58377	33241	83859	56610	50015	36255	2565	743	627	59733	54983	879	53123	44852	45430	42848	42208	1173	47982	28856	21884	67537	17726	50120	38533	27713	46073	30499	20602	61407	37314	84933	64938	91056	87638	43364	50907	45359	51888	42974	583	30860	34984	31971	27108	32389	41317	43217	46675	30449	47762	48625	41886	83214	79729	83530	56009	41685	52166	912	44526	51950	28713	40350	58602	60861	28438	50334	24338	38161	46153	613	30198	51900	Lipid	0.2857143	1.6428572	0.071428575
10	C14 H23 O4 N1	270.16998	270.17035	0.007179733	270.16998	52622	45296	43154	40925	36895	26170	27159	46965	23685	69290	26903	25715	44722	16787	23540	49590	43318	41250	45915	79894	81324	56535	25289	47547	27684	65450	32658	26637	45833	41467	31363	52499	60339	43499	81988	42806	51237	24943	54191	60617	58235	31345	1547	743	829	45617	48513	687	47122	35809	46804	41334	33295	769	39784	25569	15652	55274	13546	38099	46292	26968	30786	26169	15120	43357	27843	59296	53808	71174	72201	37562	39786	33863	40699	35610	0	23031	35067	34561	23655	22820	31806	39502	30416	20083	37389	28478	26221	53041	59604	58572	45414	39751	65584	0	44602	54275	18860	26045	31832	52329	21260	58416	14163	42062	29054	520	29014	40318	Lipid	0.2857143	1.6428572	0.071428575
8	C14 H23 O4 N1	270.16998	270.17038	0.002118918	270.16998	68013	79990	65096	74119	36256	28243	47780	74730	27298	91319	40999	48824	43633	20012	37177	106106	85602	41289	51590	110401	105783	100832	39864	112559	42424	58433	48735	39789	60115	59125	58046	68693	91159	66213	130275	60017	87732	42922	105363	87680	78490	32643	631	560	513	74387	79445	585	94174	66232	62532	74537	41141	648	39714	18531	21254	76661	13638	36256	80689	37992	39418	31541	16210	40769	32994	117957	50484	94682	91552	65528	57649	46519	66538	64943	484	41491	56017	51272	43723	30824	35490	52881	19773	19242	62835	36469	40558	205827	112980	90157	124034	52801	79763	503	75479	70661	23301	21359	22197	86405	41913	79961	18604	109338	24488	347	72491	52721	Lipid	0.2857143	1.6428572	0.071428575
22	C14 H23 O4 N1	270.16998	270.1703	0.08416501	270.17	4605	6439	4079	7064	16322	9267	12195	7927	8264	2783	4836	31874	10767	10305	12290	13495	9700	13245	9373	2471	0	4032	7033	4808	10618	0	12347	4936	15040	9477	8112	6283	5283	8742	0	12373	9462	8000	9009	2231	1904	11613	4481	0	2805	3045	3733	2596	10361	5781	5966	7744	9790	2681	10458	9020	8122	10478	4809	7110	6975	993	4824	7425	8546	11568	15202	13009	0	0	0	6302	10027	17371	7103	10664	2195	19120	5235	10617	3212	5662	6205	2298	11035	8728	11378	5712	9078	6516	7565	8517	4588	4019	5013	0	4514	6983	9842	10172	16460	14276	30474	9914	5982	6951	18383	0	9503	6085	Lipid	0.2857143	1.6428572	0.071428575
16	C14 H23 O4 N1	270.16998	270.17032	0.057263326	270.17	65485	63597	63335	62325	57015	126607	88655	78157	34816	61647	58103	47492	52260	77639	53312	114659	138983	77287	88707	99414	95138	61575	46625	59399	58862	57016	80766	52564	97725	94367	69258	84553	103323	91517	54441	100433	89261	47802	116595	48330	53294	98138	4526	1592	2687	48546	73564	2463	97527	74334	68024	78281	55708	3873	43908	43486	40061	105583	40822	60766	90092	35520	43293	31877	34304	73066	78196	110195	42604	43809	52560	75714	79388	89978	127366	73660	2358	36339	53395	77686	29810	42407	86546	70567	55210	50753	75229	73788	56524	97137	98121	100057	76472	63855	94304	2125	66165	90249	42108	41336	73308	120317	37496	78564	32904	71328	53271	1652	53955	42681	Lipid	0.2857143	1.6428572	0.071428575
14	C14 H23 O4 N1	270.16998	270.17035	0.023777528	270.16998	75361	64721	67745	76214	68026	52889	100391	68890	53227	63605	42496	40652	63451	76958	48110	91137	140396	90549	78039	101616	123291	67347	37827	61131	40418	126819	85099	45804	82907	64973	52499	80603	92208	79609	79327	86113	88863	36411	124512	59510	64344	61183	4568	972	1012	58758	75656	1140	92400	57487	64518	60065	56186	3164	55968	59915	28343	102400	33588	64945	69378	38675	52240	42571	39353	63814	63872	117855	67835	91995	82815	51092	63125	76509	99215	66807	740	40853	47690	57324	29431	47795	96973	101568	67179	50375	80169	68116	53864	141080	115207	94491	75647	51647	86852	1348	71681	82567	87124	65547	94474	105706	35088	82270	23659	74543	78890	628	49719	45163	Lipid	0.2857143	1.6428572	0.071428575
18	C14 H23 O4 N1	270.16998	270.17032	0.07224138	270.17	64747	54351	63352	56451	54016	64142	63135	71762	27251	51892	54394	44769	55436	217871	55790	113175	118473	74397	78585	84178	78149	51132	45998	64650	52543	24965	66696	53639	82537	128737	63392	82339	87714	96270	40754	97116	77530	40398	95731	36268	44881	75431	5207	1649	2039	45161	51707	2675	77345	72452	59127	57984	49167	5290	35041	58998	48450	104169	33899	54567	111121	25368	87755	31099	96738	62430	103472	93991	26604	27705	23929	55647	84817	179680	127132	103799	1825	36979	68983	80826	32209	45657	38594	29483	42405	44513	163237	62359	62748	84978	123926	93961	61120	46266	70040	2506	61483	73162	51968	48518	78986	108144	38420	63623	34375	58097	48551	1921	55794	38944	Lipid	0.2857143	1.6428572	0.071428575
6	C13 H23 O3 N3	270.1812	270.18164	0.006935028	270.1812	19238	19059	20788	20111	4729	4951	17901	18658	4592	9195	5996	9698	4048	2132	13054	24609	26212	6375	8166	12251	9757	44742	14410	23291	20383	4606	13911	9635	19431	15111	16655	24812	26765	17575	12165	21016	29473	14429	33977	7793	6570	6959	0	0	0	18701	13334	0	24615	13788	21741	20868	5442	0	4652	1402	4878	35451	881	3005	22924	5130	4562	3646	4491	5675	7197	36980	2865	8809	6155	11316	13236	15740	24169	15124	0	11228	14193	37596	11371	5498	4419	6873	3512	6561	27722	7659	10107	106561	107735	45999	87543	18875	28609	0	22480	20417	2769	1646	1934	22093	10862	14530	7264	34125	1673	0	25574	4298	Peptide	0.23076923	1.7692307	0.23076923
12	C13 H23 O3 N3	270.1812	270.18152	-0.018009631	270.1812	5070	5790	4329	2289	0	2542	11880	9682	0	1802	3747	14152	0	0	4066	9309	39221	0	0	3041	6020	8214	1617	4464	3283	1390	8096	10651	15801	6908	9900	14691	28703	20515	7248	13672	14268	5271	48609	0	0	9788	0	0	0	0	0	0	18493	2559	4889	3278	1545	0	0	0	20159	10610	0	0	0	0	0	0	6230	0	8742	54915	0	0	0	4246	12574	8163	24035	9829	0	6415	2046	0	2154	0	0	0	0	1107	5044	1439	2493	5459	6822	4336	2458	2785	0	0	5203	4017	0	0	0	11726	10910	0	0	7699	0	0	8183	0	Peptide	0.23076923	1.7692307	0.23076923
4	C13 H23 O3 N3	270.1812	270.18167	-0.05285241	270.1812	23394	24337	20315	20770	5735	5929	36479	35061	5215	9304	6264	42642	6014	2112	31384	36334	34902	10755	12742	13497	11280	31144	25923	20602	25808	7442	33677	11036	34953	33663	31312	36200	40788	33524	17961	42132	35711	30328	42976	8567	8035	9554	0	0	0	11585	10158	0	44594	30501	23453	17811	7355	0	8464	2222	7093	37643	1490	1748	33754	4887	5619	7952	6870	7361	9421	43630	4763	9169	6789	25958	31771	25387	37388	30978	0	49183	21940	74371	27248	3780	5826	7023	5185	6876	24328	9703	13198	54446	79639	35999	60833	12077	12248	0	21674	24653	3369	2930	3510	36423	41849	16035	5449	42639	3609	0	23009	8991	Peptide	0.23076923	1.7692307	0.23076923
10	C13 H23 O3 N3	270.1812	270.18155	0.031803582	270.1812	4615	4099	4058	3271	1674	1783	3132	6391	0	1517	0	2947	0	1303	3203	9470	6836	1418	2662	1821	0	5267	2475	6562	5532	0	6822	3128	5197	4986	4258	7262	6502	8906	3506	4969	6146	3824	5388	1293	0	3200	0	0	0	2952	2082	0	6858	3379	5667	5590	2493	0	1174	0	1733	9313	0	0	0	0	0	0	1361	2101	2252	9000	0	0	1806	5388	6170	4923	6471	4889	0	2980	2518	22147	2571	1183	0	1820	924	1294	2453	2358	3497	14186	43074	9760	20634	9117	8806	0	3671	4805	0	0	0	7593	5036	3295	0	7364	0	0	6160	0	Peptide	0.23076923	1.7692307	0.23076923
8	C13 H23 O3 N3	270.1812	270.1816	0.023755495	270.1812	9682	13219	7638	10315	3439	5015	11285	18188	4124	0	4520	7818	2322	954	9263	14786	14923	3814	5384	5324	4825	11849	5824	13059	10168	656	12300	11438	14145	12867	19143	16361	20760	14839	7097	15996	15793	9628	19809	5005	5640	6730	0	0	0	3585	7883	0	16478	12793	8979	10295	4022	0	3274	975	5062	15702	0	3579	11410	3150	2725	3331	4634	3457	4839	18846	0	3270	1969	11875	15612	14722	13720	15460	0	8759	9723	36290	7255	2632	4482	4152	1294	0	11317	6174	6635	21112	65803	17168	16572	16280	3304	0	11078	8592	2006	1135	0	15018	6773	6155	0	11770	3269	0	10168	3370	Peptide	0.23076923	1.7692307	0.23076923
24	C15 H27 O1 N1 S1	270.1886	270.18878	-0.055379126	270.1886	0	0	0	0	0	0	0	2565	0	0	0	0	0	0	0	4907	0	0	0	0	0	2688	6267	43647	0	0	0	0	0	2002	1525	1385	0	1419	0	0	0	0	0	0	0	0	0	0	0	3557	0	0	0	0	0	0	0	0	0	0	0	2990	0	0	4781	0	0	0	0	0	0	0	0	0	0	1725	0	0	0	1349	0	0	5354	0	10174	1755	0	0	0	0	0	0	0	33215	0	0	16527	0	0	0	0	0	0	0	0	0	0	0	0	5229	0	0	2296	0	Organosulfur	0.06666667	1.8	0.06666667
8	C12 H23 O2 N5	270.19244	270.19293	0.19771774	270.1925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	720	0	0	15113	0	0	0	0	13218	5787	0	0	0	0	0	0	50913	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	570570	0	0	0	0	0	Peptide	0.16666667	1.9166666	0.41666666
2	C12 H23 O2 N5	270.19244	270.19296	-0.12040563	270.1924	0	0	678	0	0	0	471	619	0	0	0	551	0	0	899	359	0	0	0	0	0	0	723	640	560	0	0	7971	586	771	0	682	736	0	0	0	0	972	0	0	0	0	0	0	0	0	281	0	0	597	0	0	0	0	0	0	0	1283	0	0	417	0	0	0	0	0	0	1016	0	281	676	0	515	0	315	538	0	0	316	26653	0	0	0	0	0	325	337	0	0	2357	5514	1646	1488	1926	0	0	0	0	0	0	450	0	510	0	0	757	0	0	0	0	Peptide	0.16666667	1.9166666	0.41666666
8	C15 H27 O3 N1	270.20636	270.20676	-0.016065022	270.20636	13801	23261	14634	19657	8478	6739	15903	20709	4917	14536	8986	12625	7155	5144	14501	31773	13283	7214	9488	16627	14903	25256	12696	36187	18798	8104	17174	14715	13390	13715	16497	21379	20674	15935	18485	13677	21966	12439	15896	10895	5471	7399	0	0	0	13069	17974	0	22814	13276	15921	17441	7257	0	5865	2101	4222	30881	0	0	27912	4937	5763	4055	6009	9731	9793	16097	5008	10471	13780	16065	15054	11322	15257	13693	0	13585	21624	21684	13321	2543	1254	10848	4138	0	86113	7618	9447	76925	66247	16310	41648	19168	32352	0	20622	16109	3431	2537	4442	17387	9423	18352	10128	19613	4253	0	22601	7386	Lipid	0.2	1.8	0.06666667
24	C15 H27 O3 N1	270.20636	270.20667	0.08457364	270.2064	6346	6036	7019	7357	7316	4288	2894	6274	0	5224	6875	1376	7799	4501	6274	10014	6227	5237	2890	14420	15401	9295	15079	5515	9343	0	2563	14361	3979	7172	2688	4494	3504	4541	6341	5081	2663	4424	5372	2325	2869	7119	2496	0	0	8741	9638	0	2067	6308	8763	6095	4268	0	6682	2914	2811	10383	4975	4650	8779	2157	2455	1877	3394	8076	7888	6138	0	0	1551	3202	9889	10333	4408	13959	0	2401	28386	37193	3305	17102	5287	2718	4155	5813	151806	4388	3352	30359	38247	26571	17040	10907	10523	0	11839	6420	3631	2025	3526	6305	2726	6784	16722	10035	3383	0	20428	4372	Lipid	0.2	1.8	0.06666667
20	C15 H27 O3 N1	270.20636	270.20673	0.15604958	270.20642	19185	21147	22335	18899	14257	12509	25269	32984	3122	5646	5993	16817	13165	29466	13400	73589	76736	18731	27216	5068	5455	12876	17792	23889	19834	2983	31343	7426	28191	23428	22887	40876	36594	41718	5524	34037	30174	13318	83519	1578	3492	15151	2997	0	277	7322	10745	1841	28250	30502	18472	21889	14056	1497	3732	7856	11838	54765	1457	11983	58352	1142	7654	5398	13565	19038	26732	80387	5248	1887	3129	33283	27399	32097	40515	29113	555	11236	18576	21971	33480	8362	5563	7772	12970	12933	34573	17546	14915	48616	21060	18151	44984	7184	9596	0	15860	25704	10558	10146	24069	45131	14029	5526	5430	62524	13133	0	27756	7736	Lipid	0.2	1.8	0.06666667
6	C15 H27 O3 N1	270.20636	270.2068	0.00901485	270.20636	33438	32640	32542	30658	11089	16102	27355	31513	7092	26888	11719	19728	10105	8362	19739	54733	30873	13383	20302	23629	25571	35927	16308	28371	27098	9246	24252	10354	23699	28504	46872	45547	86291	26601	43360	27856	74003	19244	36982	15743	9444	18482	0	0	0	18213	16637	0	44385	24494	36864	36581	17940	0	6997	3208	6782	57801	0	861	51952	6858	8371	5794	5890	16139	30046	45496	9006	20482	17234	32993	39538	35269	34320	38820	0	23654	26197	16490	10529	2935	2746	12985	5410	9220	156843	10261	19384	127134	72956	30031	56607	21986	40203	0	27488	27622	5254	2991	4935	67233	31773	23742	6783	35531	4955	0	23525	11073	Lipid	0.2	1.8	0.06666667
12	C15 H27 O3 N1	270.20636	270.20676	0.11336923	270.2064	2601	0	3083	2631	2537	1763	0	4712	1285	2637	0	1471	2678	2466	3986	5404	2158	2391	5399	1705	2643	4105	2327	0	1923	1428	1416	0	4149	2914	7456	3760	3981	3677	4029	2925	0	1806	2313	3382	0	1371	0	0	0	2422	0	0	6329	2658	5008	2629	3262	0	0	1195	964	6701	0	0	0	0	2195	1111	1896	3979	1784	4710	0	3660	2011	1976	3435	2432	1707	3989	0	3642	5831	0	2977	0	0	2738	1602	1440	9792	2242	3196	22272	16768	3388	4427	3770	4441	0	2231	0	0	3440	2859	3435	1041	3623	0	4621	1477	0	2907	2206	Lipid	0.2	1.8	0.06666667
10	C15 H27 O3 N1	270.20636	270.20673	-0.011650556	270.20636	15267	11069	13786	13111	3720	3851	9388	17288	4569	12087	5211	8966	4819	2994	7971	18864	12482	5267	6773	11725	11949	18292	10216	16599	9827	9526	11021	6457	11218	12910	12388	12076	18933	11733	12643	10678	16763	8472	15543	9196	5025	4165	0	0	0	8594	10477	0	14581	13240	15516	12849	6719	0	4607	3754	1876	25752	0	0	18878	4184	4903	3038	2945	5942	6199	21802	8347	17421	15157	16051	13009	14367	12519	12684	0	11431	17127	6627	9885	1385	773	6723	3280	4890	40589	6873	7830	49514	42033	8161	21966	10346	20927	0	14522	14987	1881	5105	4131	17145	9561	9011	0	14468	2740	0	14284	5128	Lipid	0.2	1.8	0.06666667
12	C14 H27 O2 N3	270.2176	270.21796	-0.082845956	270.2176	1641	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2257	1183	1716	0	0	0	2290	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1240	0	0	6668	25920	0	2394	0	1873	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.14285715	1.9285715	0.21428572
26	C16 H31 O2 N1	270.24277	270.243	0.1074425	270.2428	5050	12458	9817	9374	6493	8269	12934	0	3304	4825	5065	3278	5683	7332	7003	6026	5884	0	4212	0	0	3451	0	0	7616	8589	8545	10962	0	5911	3398	4616	3789	2628	1763	6227	1534	8052	6152	5073	4334	8982	16561	0	12344	0	8035	5301	4569	13849	8110	12300	4044	12761	0	0	7837	3051	4602	12746	0	4625	2957	2591	82830	3511	4215	6478	5662	0	2236	4231	3183	0	0	7535	0	3551	3136	16059	4554	40718	47962	20850	0	282107	5267	14332	4815	6735	5965	2927	4382	2741	8204	6153	8685	6199	3479	3128	0	0	4695	0	7274	2581	0	5892	119210	5083	Lipid	0.125	1.9375	0.0625
22	C16 H31 O2 N1	270.24277	270.24307	0.039878722	270.24277	18306	19924	19597	21167	14075	84234	4663	8664	0	93339	0	0	23069	32888	0	44292	23717	29800	7694	9630	16676	4470	0	6839	0	0	5787	0	6371	51425	14619	46974	76737	15025	17439	24554	20739	0	7051	22095	38457	58831	16085	0	1001	45866	83833	0	127045	164802	21365	21497	1903	64703	0	0	0	14153	0	325536	18135	0	49332	0	0	81104	1583	89530	0	1860	6667	18162	3841	7876	10753	95248	1119	0	0	0	0	0	0	3469	0	0	0	68985	4317	42785	50441	4769	80600	0	203201	6690	19084	24302	0	0	0	9045	0	4087	0	8204	0	0	0	205012	Lipid	0.125	1.9375	0.0625
26	C18 H39 N1	270.31552	270.31564	0.012347384	270.31552	0	0	0	0	0	0	0	0	4515	0	0	0	0	0	0	0	7064	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2594	34933	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29836	0	0	0	0	0	0	0	0	0	0	7206	0	2938	0	0	0	0	0	1982	0	0	10996	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	2.1666667	0.055555556
6	C11 H10 O8	271.04483	271.04526	0.11607856	271.04486	2320	2740	2009	3627	13823	4051	0	865	11418	0	0	1034	25164	5356	0	0	0	13367	11366	0	0	0	2019	0	0	0	0	0	0	0	0	0	1163	696	1029	0	1037	700	0	0	0	3495	0	0	0	0	0	0	1314	0	2489	2509	7669	0	8726	13836	4866	0	0	0	1059	0	26581	13719	4466	19451	4428	0	0	0	0	0	760	0	0	0	0	0	1192	0	1175	460	0	0	15216	3747	860	5279	5502	0	0	0	0	493	0	0	2084	1666	7226	20461	22813	1618	1211	0	0	0	9827	0	0	35694	Phytochemical	0.72727275	0.90909094	0.0
10	C11 H10 O8	271.04483	271.04526	0.110149264	271.04486	3520	4988	2796	6506	22843	11641	1532	0	24599	0	1348	2536	43565	10506	2096	0	0	25099	23538	0	1234	0	1329	0	0	0	0	0	2080	0	0	0	2759	0	1604	0	1484	1486	0	0	0	5056	784	0	0	0	0	0	0	0	5682	5319	13805	0	18833	22269	6696	0	0	0	0	0	47457	27539	6997	35628	8679	0	0	0	0	950	1168	0	0	0	0	1440	2189	0	2772	0	0	0	26462	5407	1939	7468	9625	1453	0	0	0	1179	0	0	5187	3808	14176	33319	28232	0	0	0	0	1692	14987	0	0	57371	Phytochemical	0.72727275	0.90909094	0.0
14	C11 H10 O8	271.04483	271.04526	0.12275777	271.0449	2621	0	2242	2624	10923	5848	0	0	11500	0	0	2824	25566	9022	1643	0	0	13000	11675	0	0	0	2432	0	1181	0	1151	0	0	0	0	0	0	0	0	0	1543	2005	0	0	0	4192	0	0	383	0	0	408	0	0	3121	3420	5575	292	6673	8345	4826	0	0	0	0	0	23598	13192	3359	11597	4123	0	0	0	0	1171	0	0	1464	0	313	1359	1290	0	1435	0	0	0	10504	4781	1673	4633	2431	0	0	0	2292	0	0	0	2261	0	4865	11989	9118	0	1956	0	0	0	4582	0	0	24528	Phytochemical	0.72727275	0.90909094	0.0
12	C11 H10 O8	271.04483	271.04523	0.16481309	271.0449	3793	2696	4654	4722	19798	11444	0	0	20141	0	0	1692	34118	12839	1811	1627	1715	17395	19556	0	0	0	4278	0	0	0	0	0	0	0	1314	0	2687	0	0	1185	2199	1754	0	0	0	3777	0	0	293	0	0	0	0	0	3982	2763	12550	0	15759	13966	8151	0	0	0	0	0	46714	18748	6494	23553	7516	0	0	0	0	0	0	0	0	0	0	1534	2760	0	2848	1026	0	0	20545	5216	4296	6142	9176	0	2685	1931	0	0	0	0	4006	3044	11793	17842	16164	3536	1822	0	0	2987	10838	0	0	49022	Phytochemical	0.72727275	0.90909094	0.0
16	C15 H10 O5	271.0601	271.06046	0.11739751	271.06012	32929	44959	32570	32787	46077	29992	20397	19440	46793	47719	31504	16842	62401	33455	23345	27224	20078	89163	83690	36680	34081	48438	30990	29031	21041	15472	18821	20802	14803	12178	18895	19531	37236	15997	59953	14301	37776	22945	28635	24727	25220	32955	6072	2493	4262	27551	21058	3696	23359	12112	34194	33427	43084	4690	42448	30777	23728	39623	18074	15291	30362	17533	61109	34275	24291	64319	32474	17415	16795	23943	28372	14185	15777	7470	12693	18797	1844	13346	39662	34966	31051	22303	14813	21385	50529	29279	51820	37286	43363	31161	28394	26346	32919	43855	55649	6634	30615	28667	38819	41392	40141	30776	16743	21171	13723	19950	29304	3385	29209	60481	Phytochemical	0.33333334	0.6666667	0.0
18	C15 H10 O5	271.0601	271.06046	0.14924203	271.06015	35031	34921	25031	23837	40452	27442	17732	16969	42330	40056	26346	14450	56349	35735	24182	26269	16886	72173	75689	23170	24718	37846	25695	29212	24370	13547	21858	22544	20517	9432	12506	18753	26734	18375	43521	11261	22849	22663	21238	21662	19718	29708	4335	2246	4364	21200	22436	3990	18683	11027	27542	31148	30858	3649	44599	31198	21287	31672	9864	15410	26020	14739	43370	38631	24257	57773	36381	26641	17102	18212	17330	14591	10675	5002	12276	17105	1976	13488	51709	34732	37058	20102	9480	13542	43558	32788	60351	38793	38826	44408	48709	30137	36118	28955	37820	6243	31891	24754	32476	35801	37914	27589	15299	14024	12327	24269	26964	2616	31135	42083	Phytochemical	0.33333334	0.6666667	0.0
10	C15 H10 O5	271.0601	271.06052	0.13286343	271.06015	9804	11731	9637	10320	14251	8507	6120	7981	16035	17945	11750	6426	17052	10036	6567	10409	8709	19905	23668	9385	15589	19924	9734	10557	3852	5566	6645	6823	5427	5444	4580	5905	8938	4814	22552	4446	9997	8481	8888	8134	11778	9938	1807	1138	2072	8004	9111	1686	6611	4165	11572	14009	12136	1568	18294	12375	9979	14058	6115	6428	10424	5491	20242	17910	8993	17282	7962	8568	9228	11794	12783	5490	5254	3396	5146	6472	1523	3759	13409	7708	11570	8017	4688	5054	17042	10132	14579	10121	11146	19190	8337	8393	8796	16066	15464	2297	10256	11762	12158	16912	14926	8597	8760	8128	0	9459	12105	1334	7063	17101	Phytochemical	0.33333334	0.6666667	0.0
22	C15 H10 O5	271.0601	271.06042	0.14245053	271.06015	6339	8954	5535	6477	16813	8451	3656	3733	10069	4903	5516	3542	14135	7980	5938	5079	3267	12469	12916	6540	6269	21115	11436	11612	6322	6490	2666	4415	2550	2423	1530	0	5071	2202	10615	3162	6398	3907	6873	2875	4022	5883	3658	0	2862	10013	4790	4431	2701	0	10048	6996	9329	3117	8073	8402	8310	6633	1442	2430	5212	3479	15808	7803	6914	17118	8663	3749	3290	3386	6256	4561	3077	2306	1533	4824	2039	4302	18090	5779	10643	8544	2730	2986	18261	10211	24718	14754	8602	11583	64652	31145	9556	5264	9344	4841	4115	6174	10680	15449	16042	4945	4854	3313	6592	6608	8310	2936	5869	16213	Phytochemical	0.33333334	0.6666667	0.0
20	C15 H10 O5	271.0601	271.06042	0.100801654	271.06012	14290	17906	14860	12802	31261	14012	10192	6586	17612	16443	14421	7193	30185	20342	13380	10735	9427	32532	41565	15718	12589	17458	16124	11589	13243	6866	11156	13705	9955	6834	7815	8357	14299	9731	30627	8030	15982	9889	10103	10231	12017	19200	5935	2891	3558	11989	8880	4050	9092	5862	15437	19798	21518	4809	20809	15949	19106	15382	5812	7218	9985	6826	31388	19332	12381	35080	22511	13761	9913	11395	13601	9106	8502	4453	5964	7163	2188	6109	17554	19390	19995	11898	4135	0	24283	18740	25580	18703	24341	23347	16244	14792	11480	18726	16520	7909	15432	22208	17235	21293	28167	20690	9835	6688	9286	14392	18144	3163	17667	36155	Phytochemical	0.33333334	0.6666667	0.0
24	C15 H10 O5	271.0601	271.06042	0.12614371	271.06012	3576	3715	5336	4683	6197	3057	1383	2647	4831	4350	2529	2525	5519	4790	1812	2810	2213	6132	7424	4666	2115	5391	5117	2606	0	3046	0	1439	1733	0	0	0	2356	1574	3236	1352	1410	1185	2093	2039	3899	2378	3002	0	0	2539	2892	2404	1538	0	2435	5311	1844	0	4533	4322	2895	3699	0	1232	1803	1546	7002	6241	1940	5696	2108	2565	3546	0	3911	1081	935	2139	2006	1656	0	2295	5733	1798	5771	2649	0	0	7250	4491	4811	3226	4812	69164	21600	7726	2859	2412	2959	3800	2349	4351	3564	6796	4748	3684	2169	1398	1612	1547	2146	0	1642	7177	Phytochemical	0.33333334	0.6666667	0.0
12	C15 H10 O5	271.0601	271.06052	0.14953548	271.06015	24134	23348	19840	19304	26871	12757	14436	16945	27881	36570	19404	10989	29007	15197	12922	18712	13319	37208	37965	26681	23604	40173	17223	15873	10847	10453	11163	9411	11241	9976	7337	9868	19824	8503	43862	9587	18858	15589	13496	21701	19425	17556	1953	1178	2279	14643	18357	2844	11232	11036	23976	24114	20514	1472	24354	24176	16000	22009	12111	10142	0	10955	39405	22923	12603	32933	13604	14567	0	19590	23858	7383	8029	5276	10790	11564	1391	12730	25160	18856	22088	14106	9924	8772	32067	18244	26813	18202	19928	29216	44655	32153	25840	29273	34354	2747	28671	19013	20728	24163	25133	23972	14398	14833	0	16028	21131	1885	11907	35019	Phytochemical	0.33333334	0.6666667	0.0
14	C15 H10 O5	271.0601	271.0605	0.15675956	271.06015	34288	35277	28650	29374	42436	23282	20500	20382	43443	42490	38385	15420	45514	24168	23222	28689	20945	63952	65458	33605	33981	52764	31106	22377	14808	16899	20699	22150	16467	17734	16048	16391	32184	16843	60721	16622	23499	22601	26680	23254	24969	26697	3441	1906	2988	16647	20801	3817	18756	15354	26745	30735	38191	4390	45933	28021	25449	38274	14166	15341	26362	21884	54305	35895	18998	54514	31434	21227	14490	25321	31005	11681	14264	11996	15460	20365	1767	15173	44994	26506	34048	24546	14555	14169	41142	28440	42902	30730	41533	46865	35829	28974	39960	45879	52815	6546	33207	30164	38767	41566	37331	22621	21892	23305	0	23726	25343	2481	18126	45503	Phytochemical	0.33333334	0.6666667	0.0
16	C12 H14 O5 S1	271.06348	271.06384	0.13229328	271.0635	9754	8432	9712	10228	19006	15279	2982	1885	11985	25744	13088	2840	24383	8514	4785	2919	3458	21231	23107	19217	21502	25812	3962	2135	6467	3436	3060	19992	2257	1807	1774	0	7007	2238	29114	2102	4139	2934	4382	18464	21412	5275	460	0	0	9721	14130	0	1760	1383	8339	7188	12232	254	12311	11863	4447	7734	10017	8700	0	12432	9506	11704	6518	17607	6142	2740	4440	6070	5383	1739	1525	0	2745	0	0	0	2325	19475	1851	8169	10807	12012	9215	7478	6554	8764	8246	0	49287	50775	0	24148	36590	0	11342	8975	14799	14917	10563	6043	1587	14565	8847	0	13220	306	3813	17137	Organosulfur	0.41666666	1.1666666	0.0
14	C12 H14 O5 S1	271.06348	271.06387	0.15283087	271.0635	16853	18437	15851	17218	25598	20248	5324	2849	18380	44443	25779	3121	34839	10984	4820	6289	8505	27216	21349	27868	31887	28370	2525	3300	9301	7424	3427	25902	3208	0	2120	0	7869	3644	41149	2672	12502	3452	5166	31512	35825	6091	0	0	238	17225	22564	0	4044	2132	13839	14046	15246	0	15402	13345	9441	5917	15568	16250	0	26842	13446	9018	6632	22651	10490	2814	0	8191	10822	1367	1916	2057	2664	2861	0	2410	3396	29221	2841	14308	14710	22528	13658	9545	12636	7306	12799	9169	48200	58193	6189	36228	60049	0	12572	18041	16778	21341	18787	4943	1787	17642	15687	7684	17459	0	4223	18294	Organosulfur	0.41666666	1.1666666	0.0
18	C12 H14 O5 S1	271.06348	271.06378	0.15693577	271.0635	4324	5063	4112	4503	6496	12441	2266	0	5708	8358	4990	1272	12231	6630	2059	2742	0	16559	11155	5749	3652	9947	1328	2396	4385	0	1957	6721	0	0	2152	0	3654	0	7268	0	3026	1884	1733	4456	1900	3133	0	0	0	2950	2911	0	1638	0	3757	5316	6499	0	6803	5795	3253	3594	4648	3529	3408	5100	0	3713	2019	6665	3732	2199	0	2304	0	1246	0	0	0	0	0	1474	2138	6606	0	2783	3610	1627	6011	5571	3551	2015	6912	3464	23207	20356	0	6624	10938	0	1743	6055	5672	5622	4905	3726	0	5619	2768	2069	5319	0	3059	8414	Organosulfur	0.41666666	1.1666666	0.0
14	C14 H10 O4 N2	271.07132	271.07172	0.15119839	271.07138	11679	13403	14763	16777	15401	8884	10936	15506	9105	7874	7254	13317	5348	9632	12541	24902	25819	10553	11570	9229	12609	20400	15646	23218	14976	4849	8565	0	12925	13937	13693	12432	17832	11483	8060	9352	12157	11349	29834	10672	32415	11722	0	539	557	14369	18905	391	17032	16202	13117	14297	9761	559	10297	6464	6650	18599	0	8724	0	7956	8065	7706	6931	9950	13317	27147	0	5839	13931	13881	10482	6602	11885	10587	264	11565	27901	18015	20422	15344	3249	8040	8266	7229	35576	19741	14557	75972	12116	8467	48129	11991	13202	448	11584	16573	7650	11482	15047	12079	11464	6026	0	34191	7604	508	18381	10441	Unclassified	0.2857143	0.71428573	0.14285715
18	C14 H10 O4 N2	271.07132	271.0717	0.13613252	271.07138	5610	3753	2493	6482	3563	2921	4438	4893	1571	3259	1505	3409	2410	3139	1720	6958	10482	0	4443	0	4437	6453	5605	7531	1977	0	2633	0	0	2951	3677	2682	3672	0	0	4148	5378	5745	13325	1597	10357	3873	1020	669	820	2308	3944	922	5446	4968	2800	3397	3737	985	2452	1420	1904	7723	1578	5017	5925	1971	1875	3277	2944	2484	2970	14784	1390	0	3563	4200	2862	0	3733	0	544	2654	10325	4762	7405	2022	2979	1941	3557	2191	9890	7251	4742	21135	4597	5215	12697	6392	3142	584	5399	3857	1709	3733	0	5515	3913	2095	1443	10872	2311	874	7135	5421	Unclassified	0.2857143	0.71428573	0.14285715
16	C14 H10 O4 N2	271.07132	271.0717	0.1386726	271.07138	9467	6122	5931	8279	2142	5324	6381	10908	2250	5687	4530	7802	3840	2750	5798	15797	18926	3861	6805	3842	7390	7977	9556	12216	10383	2477	7085	3573	4394	7212	8918	6804	13441	8193	4767	5787	8717	9431	18476	5603	17899	6664	587	724	694	5937	8058	740	15827	8210	8977	9647	3718	1087	4261	2354	4907	13775	2223	6458	14630	2774	8141	3763	3182	7296	6942	16506	0	2433	4587	10493	4095	3416	9987	6695	472	5536	14388	7067	10565	6554	3311	3955	7156	4823	12484	15036	8580	51958	6010	5540	0	9840	8814	576	6952	10385	2642	3957	3618	11090	4997	0	0	20155	4959	568	14206	3815	Unclassified	0.2857143	0.71428573	0.14285715
12	C14 H10 O4 N2	271.07132	271.07175	0.122121625	271.07138	8338	8403	9875	11379	11560	9591	8495	14362	8080	12144	5750	11579	8592	4980	10731	18907	18662	12628	19571	9262	13907	18227	13607	19373	10483	4174	6385	0	8699	7171	8290	6994	9175	8008	9837	5758	8535	13207	27806	13049	26493	7944	0	450	465	13397	15864	0	10939	11258	17506	10438	13046	645	9640	5991	8626	19233	0	11734	15886	9444	11638	7765	7014	11832	11276	23143	0	4350	15425	8779	7312	3579	9429	6321	277	9705	17686	0	15423	7070	2647	9036	9231	6064	21065	11891	10544	72181	5518	9665	30831	10214	9039	0	9328	6219	5632	8605	8639	10492	10644	4007	0	25972	6215	619	18180	8857	Unclassified	0.2857143	0.71428573	0.14285715
8	C14 H10 O4 N2	271.07132	271.07178	0.12886176	271.07138	53758	72156	63455	63626	10115	29438	37913	182380	9060	13765	9563	56325	9380	4260	50848	281191	54642	14488	28922	11987	12482	45121	63245	209297	109926	2106	40168	4871	129303	118556	124261	133412	88930	116709	11500	92028	124617	56718	57911	11005	13007	70672	0	620	570	26134	10686	0	206254	130857	67117	69849	18865	1113	7382	4620	13379	168621	0	4346	169943	3068	7554	10594	10744	11617	45257	69419	3975	12029	6489	169207	118729	53266	86517	81885	0	72653	62429	11294	51983	7792	2053	5390	8520	7845	49865	46007	60461	131309	0	0	182057	9395	12256	570	72444	72671	7658	8546	7757	111411	42044	2930	0	180945	3999	657	70994	8263	Unclassified	0.2857143	0.71428573	0.14285715
10	C14 H10 O4 N2	271.07132	271.07178	0.18967378	271.07138	13643	11431	9210	9154	8421	6861	7619	12217	7378	14153	9634	9627	8159	5568	7178	17657	12625	10842	13505	12736	15207	15672	10239	18845	7963	4768	6150	10257	9020	10406	9199	12094	11901	10026	11691	6770	11551	7608	15198	13130	21255	9410	0	0	377	8905	16878	561	13486	12865	10915	14984	7379	978	8645	4818	5677	16854	0	5649	15170	5531	9912	7517	5632	10769	8933	18132	6898	10490	13302	10078	8553	4784	8628	9751	0	8995	12279	8313	12017	7007	3412	8384	10344	4746	13677	12619	9880	27208	0	3260	22133	12058	12344	502	10817	10226	5903	8842	8069	11390	6029	6606	0	18699	4703	0	10427	8994	Unclassified	0.2857143	0.71428573	0.14285715
6	C11 H14 O4 N2 S1	271.0747	271.07516	0.17015103	271.07474	8052	9156	8811	8029	7416	6920	4868	11535	7089	6472	2731	6279	6910	2171	7890	18873	12091	12185	13795	5095	8021	14758	8972	18478	5506	1726	3863	2341	6530	6663	8191	6142	10296	6829	8065	6301	9410	7123	11936	6695	13994	7466	0	0	0	8465	11774	0	8604	8717	9730	8820	7912	0	7629	3643	3489	12830	5537	10082	15816	6010	6888	5876	2695	8226	9898	13325	3066	5134	5447	8224	5142	4555	4206	5078	0	4794	7969	0	7135	5214	5070	3456	7723	5250	9406	8394	7203	27807	7939	12002	30375	7442	7839	0	6783	8058	4200	5252	4974	8216	5760	7259	9641	13538	5211	0	9126	11444	Peptide	0.36363637	1.2727273	0.18181819
10	C11 H14 O4 N2 S1	271.0747	271.07513	0.15903719	271.07474	8141	5667	6128	6839	7093	5054	4872	5072	3476	2557	3067	6485	4732	1754	4457	11892	8809	7817	4648	2490	3118	14019	4949	9084	5371	1982	5391	0	5042	4269	6779	6798	11704	5889	5198	7089	10833	4745	10460	5395	6075	1752	0	0	0	7372	9259	0	7419	4972	7291	6771	7066	0	5492	2106	2225	12804	5806	8321	10384	3728	3356	2750	2812	6428	4994	11878	0	2031	1983	4827	5278	3689	5469	5271	0	4506	6696	5859	3977	6528	4840	2912	2590	3288	8446	4845	5436	17044	42043	22740	19156	4070	8020	0	7567	5311	2764	3743	2335	10164	3779	7683	0	12810	4073	0	4938	5266	Peptide	0.36363637	1.2727273	0.18181819
22	C14 H15 O2 S1 Na1	271.07632	271.07687	0.54349667	271.07648	0	0	0	0	0	0	0	0	0	3565	6880	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16846	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1642	0	29885	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11381	0	0	0	0	0	Organosulfur	0.14285715	1.0714285	0.0
6	C16 H14 O2 S1	271.07874	271.07913	0.872541	271.07895	0	0	0	0	1540	1285	0	0	0	0	0	0	0	1297	0	0	0	0	0	0	0	0	0	0	0	0	820	0	0	0	946	0	0	0	0	0	1086	0	0	0	0	874	0	0	0	0	0	0	0	0	0	0	1102	0	0	0	1050	0	0	0	0	0	1179	0	0	1302	0	0	0	0	0	654	848	0	21198	623	0	516	0	0	0	0	607	0	0	0	0	786	1112	0	0	0	0	0	0	0	0	0	1130	2098	0	0	453	0	0	0	1248	0	0	1238	Organosulfur	0.125	0.875	0.0
12	C12 H14 O7	271.08124	271.08163	0.075201765	271.08124	172519	164971	166973	175283	431253	306519	92284	91796	584552	107714	99265	86133	656151	234567	104240	87836	111636	680609	569446	103457	137168	120523	126921	63927	56054	20340	78949	44620	123471	89879	104636	109141	186330	104066	159346	94487	190545	93893	111281	85785	97647	207594	9704	4050	5426	66030	58948	4675	109849	83610	175550	172371	360955	4582	697999	318331	184815	119596	83162	73947	111775	73854	690944	531058	137773	518868	228330	98155	52962	44028	65105	82687	98292	83635	94085	96725	3148	97047	98838	63543	73364	49456	52563	30922	309960	193380	112243	179771	231210	69168	84257	118864	75838	90150	79482	6159	181639	186716	331829	329417	317991	172364	90308	81283	28726	92786	370334	4357	52082	864662	Phytochemical	0.5833333	1.1666666	0.0
14	C12 H14 O7	271.08124	271.0816	0.08659221	271.08124	103121	100796	85111	110164	222538	203227	51724	68059	319897	50817	59407	52050	492203	170155	79162	54899	58469	368718	296950	59164	77255	75704	84288	51902	48349	13079	51204	32444	80648	66656	57142	77785	133500	66682	88475	75312	118909	68034	69449	43982	52928	123785	7245	3848	5281	43805	41820	6192	66502	54444	101030	84680	200849	4228	378190	194827	100944	69770	59411	44836	57114	48316	350084	306212	86695	315369	155458	66011	19761	27844	34997	56608	56747	73223	51423	68871	4122	70143	61505	42981	57982	33763	36000	18871	185672	115058	70256	110087	145755	51514	53888	81259	60987	46165	37986	6707	108426	112287	156476	177945	177780	108572	66054	56290	22409	63788	153361	4496	39453	416378	Phytochemical	0.5833333	1.1666666	0.0
18	C12 H14 O7	271.08124	271.08157	0.12649804	271.08127	26949	27307	23770	25870	29149	28627	16061	22932	36069	16809	11864	19459	57284	20798	27482	18398	14724	48293	42106	18350	14943	19278	29935	23313	16484	3355	14872	8270	22824	21953	28105	19385	38864	26290	17374	21907	26667	25816	22022	13627	9377	27978	5770	3726	6546	22031	14288	5313	25578	20073	22486	23860	30122	4437	55141	32399	24408	24269	15450	10071	25596	10877	50901	39347	19689	42246	20578	19099	3916	8992	5582	21833	21491	25738	12693	24376	4631	21295	26431	6674	25364	16925	14208	7792	30283	27228	19554	26533	30792	14607	20375	20537	27059	8533	14139	5246	27776	23533	29430	28207	33039	28467	20532	10544	12733	20120	21198	4028	15394	56041	Phytochemical	0.5833333	1.1666666	0.0
2	C12 H14 O7	271.08124	271.08176	0.11076252	271.08127	8213	7665	5001	8617	14103	18229	5607	6715	16636	2795	3689	6426	23107	13262	7240	3389	7916	17467	14676	2234	4695	5916	8852	5078	3152	2184	3654	2721	9156	5774	6612	6218	11047	7971	5382	6703	6155	5641	7702	4003	4052	8779	2011	1622	3833	5170	3607	2138	5546	3757	6162	6154	11209	2196	17869	19335	8060	6423	4234	4033	6440	2844	26360	15778	6417	18925	8939	10786	5468	2707	4619	6296	8147	6437	1808	8330	2214	5460	7649	0	6981	4098	4009	1569	17886	8848	7354	9743	9679	5847	8864	4857	6131	3181	2604	4486	6564	7961	15369	25295	25952	6691	8431	3892	4535	5702	14582	2133	4550	23040	Phytochemical	0.5833333	1.1666666	0.0
10	C12 H14 O7	271.08124	271.0816	0.062024165	271.08124	211353	194786	186263	182437	542459	349616	81191	95807	691008	151404	140963	95052	923018	257443	108183	112445	113876	794954	667809	151961	190177	119364	132007	74859	57494	26924	84866	75161	128136	100944	94734	119206	240716	114210	194030	118749	222963	98427	125849	101710	144279	245514	13177	3898	5902	71092	84627	5087	113710	82928	188663	198552	418465	5546	838749	469658	176972	141142	94338	100882	126839	83115	704210	676672	189531	658753	263268	115315	61968	58184	82423	90979	100730	110577	108765	111768	4296	95450	109411	86165	85984	56725	52347	36601	485267	247478	122668	243485	286009	70845	92336	133231	82619	128183	119533	6056	208492	214650	407564	503426	482056	205217	94404	113713	49392	93361	482481	4233	52369	958281	Phytochemical	0.5833333	1.1666666	0.0
8	C12 H14 O7	271.08124	271.08163	0.057960678	271.08124	159795	165981	117295	176648	416274	233363	55419	67965	499078	129205	118600	74487	691490	176375	85350	108046	120387	537033	1047578	118812	147161	107979	98572	67746	32580	17806	64982	58902	86346	73293	71396	90906	147475	91670	162825	88141	151007	81394	122362	78359	117105	192709	5777	2330	4349	60290	86289	2529	103500	65766	150710	159860	296352	4100	539964	380777	168037	103984	67520	86112	91399	63516	1240024	988392	145308	477214	206261	124229	63575	42696	64842	76587	89828	75609	85926	90929	2904	69858	95026	59678	66172	47450	46024	32414	380535	162337	101367	409108	460664	70853	73427	101940	67670	107873	88473	4477	165293	154768	343984	499191	450839	156077	76626	96501	43221	74617	392614	2596	43633	1436522	Phytochemical	0.5833333	1.1666666	0.0
6	C12 H14 O7	271.08124	271.08167	0.08781151	271.08124	82979	84245	73021	85628	369230	97377	31883	40863	442334	56720	57119	37432	680750	85535	52413	56453	52662	578358	484224	53736	72008	51561	50639	38575	16445	9992	32955	27130	46491	44924	37723	44914	88232	43288	73989	45009	77570	50394	64706	31200	51318	92785	4114	1715	3492	33643	49490	2453	60339	38684	79053	84719	283394	3315	483414	219185	80467	57476	33647	46367	53726	23468	631028	194719	69354	460272	97230	62455	30422	25772	31161	35110	43403	41884	36255	40821	2903	31584	47375	22312	37880	26391	22084	10924	199505	94725	54643	197558	112873	47969	31932	47481	41292	46232	44246	3044	80645	74364	142963	263123	268081	88917	39686	50194	22171	46276	203375	1994	20612	761238	Phytochemical	0.5833333	1.1666666	0.0
4	C12 H14 O7	271.08124	271.08173	0.07130693	271.08124	23525	28840	23021	23291	111948	28277	11117	14210	120590	14597	16226	12425	191278	28164	12862	17347	22096	148630	68413	14365	19522	21050	18797	17703	7722	5651	10936	5522	15901	12175	13793	14742	24266	14677	23056	17002	22960	14897	26828	10245	15148	28386	2798	2019	4209	14226	15940	3570	15910	12573	24711	23692	41577	3170	133262	75820	25735	18210	12799	14286	16834	5921	189440	130226	23102	129756	49836	20559	13895	8023	8660	13558	13103	12621	7819	13512	2207	12825	21184	4046	17120	9156	8722	4553	68692	29407	19040	27695	37445	20491	15578	16072	16669	11434	11441	7070	20541	27729	49022	98974	91402	23531	13940	14214	12062	17380	54773	3025	9547	219754	Phytochemical	0.5833333	1.1666666	0.0
16	C12 H14 O7	271.08124	271.0816	0.112680666	271.08127	47883	51550	50233	54293	96194	86237	38275	43077	109645	33340	31214	38088	154023	72343	54967	35399	33360	152777	129208	27757	31821	35587	45786	34589	31121	8662	29653	19084	46222	41127	48506	47240	79110	38780	43868	39417	69523	45619	34488	27407	24170	54007	6423	4676	7155	24144	16612	5788	51742	33988	49072	54764	84438	4531	127445	78004	50776	46572	28856	23802	39276	22505	120492	103984	38226	119421	69335	33630	13777	15157	14649	35264	41675	39220	27113	46510	5529	35741	47537	24145	32082	22112	22434	13048	83904	55413	50718	51962	65109	29377	35204	36727	33697	28916	27438	6408	50721	49340	67601	66119	72286	57994	37181	26785	14454	51041	69908	4738	35833	159943	Phytochemical	0.5833333	1.1666666	0.0
10	C11 H14 O6 N2	271.09247	271.09286	0.1177289	271.0925	19043	22083	18746	19439	20899	22866	19075	22276	26239	8569	6519	19743	29772	14616	27176	31125	27959	43683	36078	8599	12306	27169	25741	27056	18126	0	18039	9003	25297	20878	29593	20886	39733	22659	10789	24532	37885	25966	31949	8772	9710	24849	654	0	454	9584	6816	0	25605	17823	19044	18890	27404	488	34480	12789	16655	34488	13217	15113	27395	3306	24024	24670	20888	26194	20698	30343	0	4919	2113	20936	19736	17606	27898	17283	0	17071	20394	12819	17098	5783	7026	2010	18312	22385	28188	33418	28185	33017	7390	18170	59293	8678	4616	489	19827	22054	18283	11906	13184	33306	20224	9393	0	35096	16518	0	16239	41320	Peptide	0.54545456	1.2727273	0.18181819
0	C11 H14 O6 N2	271.09247	271.093	-0.018160746	271.09247	4537	4137	5379	3031	6746	0	0	8156	4632	0	0	2362	7934	0	1633	0	1534	9981	9899	2837	3821	5045	2559	4803	1668	0	0	0	7121	2293	3532	5006	10718	9269	2881	2862	11331	1483	1932	1970	0	11331	0	0	0	1874	0	0	8199	2840	3485	2940	6976	0	4237	1880	0	7664	1249	0	0	0	13211	5849	2451	11067	8085	2115	357	0	0	7452	9214	3687	0	5863	0	2230	1643	1154	1254	0	0	0	1708	0	1965	4791	10215	1671	7903	4895	9671	0	0	0	4366	3496	1576	1971	1366	4146	0	2806	0	10177	2597	0	1557	23106	Peptide	0.54545456	1.2727273	0.18181819
4	C11 H14 O6 N2	271.09247	271.09296	0.13045065	271.0925	18774	20286	17462	19856	27649	14836	7642	15032	36942	6136	10674	14977	31418	10406	13382	17880	33602	41519	37913	9810	14218	21666	16412	18121	6873	1369	8873	4018	12736	11314	13553	15302	22844	12644	12509	14926	22064	13619	44954	8004	12823	24839	0	324	372	8644	12031	394	17409	14996	18500	17192	28401	374	35823	26461	19499	17948	11874	15000	19699	6725	43861	32761	22048	31267	18388	37508	3097	2431	4273	12447	12684	11980	10237	11174	0	10510	15512	5356	11407	6762	6088	2571	27330	18888	16025	34181	30317	40859	9843	12289	38247	6181	5179	737	19498	20076	28539	27684	27642	22688	11907	12701	6973	21472	30459	423	10187	65538	Peptide	0.54545456	1.2727273	0.18181819
6	C11 H14 O6 N2	271.09247	271.09293	0.10207784	271.0925	43140	44805	37795	46244	49630	31805	22856	35235	60686	17112	26665	34779	61835	16994	26649	50683	73763	85362	77861	22120	29509	38663	37407	45337	16174	2293	22580	7928	35109	23581	35674	39688	59067	36973	27483	31604	56836	33071	83994	15102	29834	46740	0	0	363	17891	23295	0	37818	28804	38776	42566	49537	444	71453	35256	33498	46280	23213	33537	51789	13647	82076	53916	34705	60769	46229	87549	8452	7745	14082	28444	30241	27405	35401	29307	0	20914	26081	8902	17508	11172	13248	5422	42387	29677	32422	70139	62497	86589	13398	29630	73408	16779	12679	363	39817	41398	32066	32101	36481	60758	29628	28894	12775	55389	45600	0	19984	131212	Peptide	0.54545456	1.2727273	0.18181819
8	C11 H14 O6 N2	271.09247	271.0929	0.12561639	271.0925	31220	35981	31355	35566	44239	31002	19810	30514	47939	16827	17310	28173	50973	17636	26033	41188	55147	64287	60152	16841	22762	32105	28550	32989	16421	1174	22458	11836	28970	22046	25670	33972	41415	32181	22918	25299	45613	23859	54532	15240	21207	38712	889	0	391	14662	19013	0	34040	27495	34125	32082	41585	598	57897	23786	27756	41362	16803	23150	46011	11260	62925	48286	22852	50442	36962	53916	4542	6444	6896	30796	27930	26715	30795	25937	0	23855	25589	9517	16192	9004	9578	4944	34264	22905	27070	47823	46321	52361	13532	35475	64034	14114	8386	511	34034	34751	30456	25984	24483	44030	23903	21031	0	39119	33078	0	18369	89306	Peptide	0.54545456	1.2727273	0.18181819
2	C11 H14 O6 N2	271.09247	271.093	0.105070144	271.0925	14461	14589	11995	13428	28919	17382	8190	13381	25632	4387	4922	13116	38036	12119	8166	3746	16246	35579	29774	6055	10247	14490	11353	13397	3691	781	2036	2778	15265	6800	15410	10630	27444	13167	8759	10865	17020	9833	15227	6144	6185	21424	270	0	280	6085	4813	0	10838	8215	12981	11427	25460	333	28975	14372	12287	16597	5659	7205	5508	2877	59486	29412	15947	38995	24806	18649	1579	2568	2421	12293	13549	7932	2401	11581	0	8806	9870	3141	8586	3162	5079	1976	16746	12197	10473	29451	24989	22193	5363	8001	25252	4708	1674	0	14183	13371	16608	17484	15969	12881	13082	7571	3550	19669	14306	0	7258	62644	Peptide	0.54545456	1.2727273	0.18181819
22	C16 H14 O4	271.0965	271.0968	0.09215141	271.0965	70527	77965	54920	68988	70109	60447	34834	66033	66597	80305	81686	38500	75168	69408	54664	65569	50276	105052	88017	85358	85960	87622	67410	76458	76190	87357	34646	81338	60119	45120	51509	54591	59981	55556	89961	51704	77150	50207	48584	77709	83350	63392	18612	11626	12981	63019	64118	16743	57087	49686	63311	71286	69296	12699	66332	57745	50255	69766	41662	45254	69520	59888	74978	66977	45072	90832	78549	52544	75380	90416	95036	55204	44857	43464	29587	48335	11891	44326	76903	65749	66961	54373	35424	56861	79068	59177	88210	71417	67839	86250	66723	62329	95045	69112	78254	20519	57099	63706	58608	80596	73327	73214	47618	64228	56996	63879	58731	12680	65045	86590	Phytochemical	0.25	0.875	0.0
10	C16 H14 O4	271.0965	271.09686	0.069811314	271.0965	69999	64070	48525	59321	45897	34077	44660	57602	45546	72928	56943	45651	49076	27795	44647	71982	58923	55179	65199	76991	83100	76707	52632	79351	37357	91366	46191	43352	52225	52302	51381	53832	64664	44196	83789	51862	57224	46547	61845	63953	74812	39567	9088	5636	7898	59124	51710	8381	53666	52705	58456	62861	36421	5840	64790	41632	36013	73084	46343	59319	68470	42522	45766	52675	28765	43204	33749	61341	77401	98463	115689	48737	47844	51556	49312	64513	7550	36760	63692	35131	68854	52845	49330	44028	53365	33759	64233	38804	45571	75861	42509	45928	73027	52336	58313	8976	58611	62922	43883	55724	49935	54651	46342	62164	33916	53260	39149	5727	48190	54244	Phytochemical	0.25	0.875	0.0
16	C16 H14 O4	271.0965	271.09683	0.087455116	271.0965	178083	196023	173013	162207	176284	130009	120525	160914	158795	274319	198762	110318	202289	121841	137005	188340	148181	239018	264634	281009	278071	236749	161763	190885	128266	305213	119389	155654	133099	121249	128965	169139	184021	116814	286464	125957	182519	118364	165977	232612	243848	126164	11791	7279	9017	154999	154373	9572	163535	131619	188644	195352	158406	6962	162104	135362	116527	216126	126972	128905	164116	137472	197221	140339	95104	180085	154198	146188	263795	357581	362122	129978	126766	109849	122621	151540	8005	103253	203425	191092	143769	144309	119961	154210	181129	115079	191720	157736	166238	244077	186253	175844	249919	169453	242458	10313	184448	184023	141566	140869	150279	189995	102963	136662	87506	149933	119466	6636	143036	197017	Phytochemical	0.25	0.875	0.0
20	C16 H14 O4	271.0965	271.0968	0.083027616	271.0965	131329	145293	130152	111412	147849	121286	74527	108073	130882	206736	155387	73208	172202	129753	99768	123515	111770	198560	214641	211676	197492	171999	107969	148936	99009	181151	68557	154722	134493	102146	97581	118167	152329	126981	218617	112539	135172	76481	109905	167184	167813	150449	23703	12616	13564	116455	122785	26172	121075	90732	135621	147741	137778	15500	130894	109999	87904	129709	82655	71549	127536	105609	160554	108291	73975	178636	157065	123223	142816	190585	203447	100782	110487	79723	113373	107754	16202	74696	121279	143334	111059	92163	82773	137831	129097	103550	137009	192482	204503	126162	151767	156586	188613	153804	158983	28367	140105	140593	116278	112334	130013	131012	72912	124208	83955	109390	99552	26503	92360	174159	Phytochemical	0.25	0.875	0.0
14	C16 H14 O4	271.0965	271.09686	0.1043834	271.09653	160706	151541	140168	144785	128606	95257	108530	130538	121689	179833	150890	94326	139759	79853	117385	136955	122551	172278	157184	215986	213394	209349	126129	143713	106665	252880	106859	144947	109263	102230	99713	115365	154152	106930	235070	103099	128560	107384	130645	163950	184816	101080	9322	5340	6086	120464	131962	7779	138542	108134	142723	133476	111938	5797	132369	107247	91010	170391	101375	109301	138310	111286	144514	125860	71934	137056	115733	125685	209199	295136	317683	107311	97662	107579	101452	119371	5716	89086	162117	110379	151145	123516	106563	126525	132560	93091	169350	102433	114853	201293	149739	125318	191174	129160	166423	10954	152447	135464	105133	142215	136312	117072	105383	138282	75595	127551	100538	5994	109645	124350	Phytochemical	0.25	0.875	0.0
12	C16 H14 O4	271.0965	271.0969	0.08476739	271.0965	101853	116095	105422	108724	77989	51022	75078	100473	88719	118506	97001	61992	63184	47023	75616	111603	96662	95140	111395	136827	133237	139826	81821	113434	72573	155211	83935	70673	85612	75473	80914	95831	96625	71954	145473	76235	82974	80033	89660	106048	139099	58823	8821	4477	6504	97870	103895	7143	88845	96358	115135	120823	73143	4818	96612	62570	62693	120066	68111	83907	95506	69260	93923	73406	43010	85008	65762	89575	131520	167482	234591	74168	76971	77869	75647	100239	4870	62613	107842	62983	99063	89424	76230	79411	81922	59084	101385	56955	74152	133339	93510	97939	130854	72833	106029	8860	112336	112626	77665	81628	81307	89243	76295	83114	53135	83943	67819	5577	75503	103039	Phytochemical	0.25	0.875	0.0
8	C16 H14 O4	271.0965	271.0969	0.055670112	271.0965	39807	38606	22133	36734	21360	17445	23759	27384	27438	33136	26389	26740	22866	15098	26729	35902	36664	21793	32682	40582	33835	42625	29460	40084	19265	32368	24190	21624	27715	26831	23109	28801	30993	21952	50662	26193	24584	23732	38390	33634	38943	20563	6485	3741	6319	35514	33590	5841	32147	26941	27470	32115	22245	5124	32210	23387	20256	33330	25921	31382	36096	21075	26471	27352	17659	24110	17408	35979	37692	38421	62280	26377	24530	25822	25688	35950	5652	21237	39868	17039	34381	32220	25440	19916	28160	15984	34424	18172	29475	45011	16273	27749	41390	24626	27351	7235	28812	26680	29939	30974	25806	32423	28253	36383	18638	25449	20394	3518	24326	24275	Phytochemical	0.25	0.875	0.0
20	C13 H18 O4 S1	271.09985	271.1002	0.1193275	271.09988	9040	10042	5678	6446	10998	10094	3086	1661	5924	14425	5147	1128	9961	4524	3351	4375	6537	11811	7704	21357	14155	17718	1630	3348	7978	2134	4012	10468	3696	1933	2661	2119	3426	3230	15746	2100	4322	3336	5105	14303	9772	5572	0	0	0	11995	10787	0	3412	1550	9230	10206	12976	0	3292	2407	2195	7425	14081	8748	5101	8862	4524	2758	2503	6496	8147	6833	0	1768	0	2829	2365	0	2397	2177	276	2191	2769	15798	1919	10675	10813	8203	6502	4112	7908	7179	6531	2372	53477	56384	5319	19287	14697	0	7158	10933	6427	5941	5562	5347	2796	14099	11741	5816	4893	0	5813	8233	Organosulfur	0.30769232	1.3846154	0.0
18	C13 H18 O4 S1	271.09985	271.1002	0.05041217	271.09988	217530	206614	198683	177398	210673	169644	109158	150363	152940	298871	239363	98416	218893	147111	137472	194833	136696	309399	361844	349499	314371	282484	172997	190954	137419	286728	112047	227357	157260	125812	112739	148215	192229	142010	304480	130419	197184	113706	142104	259136	248707	144213	16433	6905	9705	177006	163041	9544	165536	124380	203527	190941	168697	9298	181769	138348	120733	223415	128315	128853	177093	172257	216077	147897	105072	242001	184901	158918	233296	313079	365484	129719	96397	101822	111299	137651	6944	95059	205225	238872	162762	152701	117899	174650	177252	160051	223630	181410	191130	258511	313804	284106	256692	207265	307654	14697	194636	207424	159189	156889	162069	171912	108729	175072	112559	169478	122719	6923	145012	210527	Organosulfur	0.30769232	1.3846154	0.0
22	C13 H18 O4 S1	271.09985	271.1001	0.059784617	271.09988	3415	3012	2372	1323	4230	3389	1297	1403	3518	3213	2550	1017	2731	0	2592	2162	2188	4240	3400	7999	3570	6775	0	0	3331	0	1941	5012	1188	0	1313	0	2506	2465	3384	2057	0	1082	2011	3301	2870	3029	0	0	0	2732	3537	0	0	0	3014	3169	3209	0	0	0	1332	1803	7592	2651	2442	2342	0	0	1888	2449	2240	1993	0	0	0	0	0	0	0	0	0	0	1209	4397	992	4500	4974	3033	1813	1365	2323	3088	2571	3043	26056	29768	2454	7025	10404	0	1851	4702	2129	1231	0	2454	1530	3376	5513	0	1758	0	1485	3345	Organosulfur	0.30769232	1.3846154	0.0
16	C15 H14 O3 N2	271.10773	271.1081	0.12753841	271.10776	12413	16592	15767	15924	6302	5755	14703	22600	2566	8903	14334	16359	3307	6122	13933	26823	27559	3205	7173	14100	13994	16745	12759	22722	11748	14921	16088	16669	17691	19844	21482	18896	22026	13821	13904	20401	26999	14197	30652	18878	31706	9175	605	530	424	10123	14724	647	22946	21962	17033	17069	7695	478	4606	2601	5493	27901	4260	18410	21271	11071	3703	5101	6905	7495	14467	35549	9397	12007	24439	17079	12144	18258	18216	21714	349	12044	19484	26751	13645	12345	10527	12806	3965	4415	21513	19006	12559	39745	26432	22227	33986	22253	22910	0	15927	11475	4917	3526	4332	19140	11743	12002	4808	25094	4308	442	21973	5716	Peptide	0.2	0.93333334	0.13333334
4	C15 H14 O3 N2	271.10773	271.10825	0.14543232	271.10776	8899	9582	8122	8619	6669	5962	5883	11707	6707	16980	13443	5567	5765	5882	7914	12717	14028	8718	13441	14205	20627	11043	8386	11253	6715	25880	7654	16002	6554	5882	6895	6687	7954	4565	16045	7730	8916	7867	14872	11621	18423	8882	0	0	0	12323	22783	0	7948	7721	10371	8783	7160	0	7264	4103	4828	9720	1399	7038	11131	9230	7896	5704	3075	7267	6439	14433	18204	24612	29096	5557	5268	5283	7845	5435	0	5479	13307	13346	10400	7284	2927	8986	6148	5385	10100	7455	7189	24095	12887	7228	21217	12274	16880	0	8497	9969	5098	6094	5693	8528	6087	8608	8079	9950	4073	0	7639	7054	Peptide	0.2	0.93333334	0.13333334
12	C15 H14 O3 N2	271.10773	271.10812	0.10291825	271.10776	18297	18947	21967	23643	13420	21977	48570	34705	11828	18963	29151	18031	7223	13702	17988	40274	49467	19024	24570	20978	25278	24148	23538	34846	41692	26789	39666	24219	27554	22607	37378	24024	77618	23231	20479	22016	65873	22575	45599	19285	29702	28104	597	0	350	15888	21836	0	34760	21638	28428	21925	28337	409	12400	6605	15740	36799	5138	20619	25522	13521	10727	10851	13618	21347	34140	42383	0	30890	49537	21512	12554	20899	26711	19883	0	19056	31810	26152	36374	14688	12647	17452	9821	12617	39943	45898	35120	72824	19886	21633	45616	25971	27872	559	25001	21810	9329	8626	5254	46535	20461	10674	0	43371	8017	0	34447	11365	Peptide	0.2	0.93333334	0.13333334
10	C15 H14 O3 N2	271.10773	271.10812	0.11528434	271.10776	17381	21005	21468	18166	11739	11272	17566	18787	11097	25529	29791	12792	10995	9737	13945	32007	27210	13932	18865	29242	31891	36098	16156	29911	18484	26988	21419	28202	15482	12346	20593	11145	28641	19383	26591	18725	28833	15132	31957	20931	43217	11062	639	0	0	17791	29788	0	21764	16897	18051	21288	11947	0	10618	6957	7664	26500	6257	25848	21890	10394	11139	12267	7020	11429	13254	38737	24555	35676	40404	18326	8433	9327	19161	14134	0	12498	21821	25773	21676	13021	12791	17655	5893	10004	27854	16627	17512	54685	20152	19071	42673	31778	38258	0	19408	17369	8708	6830	9480	22261	14216	15551	0	26632	7638	0	16659	12452	Peptide	0.2	0.93333334	0.13333334
8	C15 H14 O3 N2	271.10773	271.10815	0.10073417	271.10776	17810	17268	11495	20645	12402	10435	10674	12776	6632	32808	26408	8532	12171	8292	10402	20114	20881	11413	11103	26994	35572	21496	10832	26631	13163	33076	12456	28337	11252	12207	12353	17334	20218	12279	29970	11590	20233	12109	24786	26954	29550	10788	0	0	0	18496	25931	372	19975	12022	16886	17574	10392	0	10204	6268	7037	16567	3001	10484	22194	15149	9691	9695	6278	13357	10892	24832	27682	35390	49342	10627	11371	7780	13514	9759	0	7990	19545	22657	13032	10442	6536	15623	6720	5332	17690	15917	12817	35531	18488	13806	32093	21552	28566	0	15039	17700	5192	8367	8593	18315	8632	12931	0	19287	6509	0	15004	9470	Peptide	0.2	0.93333334	0.13333334
6	C15 H14 O3 N2	271.10773	271.10815	0.091340505	271.10776	20300	18917	16529	16808	17656	12043	9721	17267	9392	33743	27652	12201	11752	13645	10601	29152	13660	14678	24006	26871	34806	21884	13100	28737	12053	31082	9029	27368	17289	12757	16440	20009	24836	20567	31819	13585	21873	11344	19312	18418	23174	15874	874	0	0	18947	29128	0	22981	15524	19114	18778	14611	0	7844	6386	5881	28391	2936	8829	20374	9081	14598	8838	5417	14609	20150	23737	25130	39704	46320	14785	16162	10057	9023	14630	0	9265	14211	15913	11908	8679	4465	13770	8508	6239	18899	16488	16080	33225	30038	13229	36963	17554	29993	0	16727	14994	7343	7481	9283	22672	9004	10908	7580	22032	5556	0	13347	13662	Peptide	0.2	0.93333334	0.13333334
18	C15 H14 O3 N2	271.10773	271.10806	0.14454314	271.10776	8611	9975	8579	4909	4867	5089	6942	8075	1303	3942	11222	3927	1650	2443	6204	11108	10785	5295	5949	5079	7534	10941	6547	10742	7658	3785	7087	10640	5822	3899	8663	10599	8258	4584	5015	4726	9660	4996	12438	10114	16815	4561	536	317	397	3506	10893	399	10321	5389	9760	7193	3260	338	0	0	2673	9704	3907	10506	9692	4718	3007	2594	2375	4074	5608	16160	6226	6126	6023	6426	6353	1935	9906	7570	0	3384	11794	20074	5835	6528	4723	9510	2356	2421	9192	10888	5438	38835	15815	11868	17729	14064	12204	0	5014	5942	2409	2150	1812	7881	3523	7173	2847	15778	1208	565	7629	2436	Peptide	0.2	0.93333334	0.13333334
14	C15 H14 O3 N2	271.10773	271.1081	0.08588054	271.10773	27734	24120	22076	24739	21695	14993	26392	28751	7319	17433	22708	19392	8833	38141	15754	37731	44428	13354	15323	16622	24452	26006	18419	30161	17861	19860	29029	17471	22430	33665	26395	26271	27140	16492	20259	25901	26725	23112	46184	20541	35515	21907	0	0	338	12631	18119	0	25722	30379	19631	25409	20503	273	5897	6467	15282	30287	6648	22520	22119	9566	8088	10672	12197	18771	19284	54993	14193	22757	34520	13299	12399	37196	28539	39564	0	21034	38941	22085	31826	14406	12335	17338	7743	8291	30589	23382	17887	98733	18413	23504	55130	22737	25730	594	20126	24503	7298	5596	4747	26279	16249	21569	0	30866	10241	0	29065	6809	Peptide	0.2	0.93333334	0.13333334
26	C18 H15 O1 Na1	271.10934	271.10962	0.34457403	271.10944	2626	0	2002	2972	0	4310	1465	0	0	0	0	0	0	100113	0	0	0	0	0	0	0	0	0	0	0	0	2727	0	0	0	0	0	0	2124	0	0	2175	0	0	2199	3534	0	0	0	0	0	0	0	0	0	3239	2833	12616	0	0	0	0	0	0	4117	4525	0	9612	0	99217	21735	2294	3821	0	3049	1699	0	0	0	29534	0	0	0	0	6547	0	0	3121	2901	0	0	0	0	0	0	3197	1553	0	0	14272	0	2375	0	0	0	0	0	0	0	0	0	0	0	0	3989	Phytochemical	0.055555556	0.8333333	0.0
28	C18 H15 O1 Na1	271.10934	271.10928	0.27640456	271.1094	1189	2051	0	1800	0	0	0	0	0	0	0	0	0	135772	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2065	1256	0	0	0	0	0	0	0	0	0	0	0	0	38351	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.055555556	0.8333333	0.0
20	C13 H18 O6	271.1176	271.11795	0.104431644	271.11765	58154	46648	51840	42500	55575	52124	45765	59204	66866	37113	26036	39273	85930	50659	61032	48715	40810	79060	80552	46906	36708	44839	52145	47871	40809	16531	48627	24075	68926	57931	48958	64916	77763	63609	44898	67160	88826	39637	47341	33357	23811	42626	11204	12726	13624	30471	20675	14004	60192	43149	49351	52108	55513	11020	98974	60418	39675	65831	44031	25216	53782	20650	69992	72615	30542	79319	49418	47042	10689	26520	18318	45211	68983	67674	45572	64893	10742	45088	43510	19776	42582	21070	53030	27821	51274	45049	53557	43959	49474	39383	51376	53313	56931	23058	21957	13584	51627	47410	47315	60102	57097	70948	46274	43650	18441	38723	46600	12673	42468	79978	Lipid	0.46153846	1.3846154	0.0
16	C13 H18 O6	271.1176	271.11795	0.065149	271.11765	316616	308970	345887	326225	606559	528462	291209	268932	685964	240579	152018	168387	909846	448170	333652	247058	237095	912062	774111	275253	241338	195490	243688	188926	289731	81341	230989	167921	383743	290957	303288	408295	507235	347951	267827	374444	540818	254570	238595	187825	137658	367184	33243	14492	20750	151505	106867	17277	369450	222775	328289	321659	545668	17895	860202	525774	277534	363724	215295	132403	285198	114726	597191	582219	230557	675423	432693	223817	64887	124460	96368	277612	333647	375033	237368	308271	16249	205134	214466	132581	138868	116276	241673	147656	431427	356733	250063	311192	434514	156015	307629	349369	231361	122259	164227	20556	316118	352813	390654	463787	533237	481567	197508	232900	88074	225271	479444	15378	188270	823794	Lipid	0.46153846	1.3846154	0.0
4	C13 H18 O6	271.1176	271.11804	0.016730996	271.1176	84086	52139	79732	48965	71532	32351	35132	98272	105014	23744	29618	98050	43350	34795	39194	45944	108286	67049	104392	31972	63072	99074	34550	99608	25665	11294	70394	16782	93878	103160	50511	98056	107118	76680	71670	105712	51239	38061	66667	28173	57962	46965	6813	7001	11943	38261	69078	8508	125044	90676	92882	78260	41990	7163	63556	46750	37186	56693	35325	72390	107478	14139	53077	104102	34046	48790	34644	127504	23312	13997	19612	79046	39073	106696	26864	112326	4832	84620	38961	13653	78608	59138	33804	28736	99398	37052	41834	66054	46687	104436	35224	56256	98314	20838	25791	17790	82260	49040	95106	125112	125342	56956	97016	90638	28829	39339	44796	7937	29921	57928	Lipid	0.46153846	1.3846154	0.0
12	C14 H14 O2 N4	271.11896	271.11942	0.54793096	271.1191	1100592	1297112	1247926	1250214	1738988	1337002	1063830	1032066	1923402	948166	719468	559837	2011152	1002380	886582	1163070	966984	2695606	2610466	1400972	1311773	868132	832414	634738	754088	468268	1045970	714826	1560165	975374	1014810	1350252	1771112	1239134	1280843	1163500	1572790	794738	1112174	774540	679308	1202658	59478	20396	27856	650892	489374	24554	1379132	797682	1226498	1209974	1608108	26420	2788110	1411854	940966	1273886	828070	647586	1150444	541388	2001488	1727128	812010	2060174	1373398	912074	500802	713346	634166	877422	1131844	1076612	1024828	1130655	14090	829726	792670	540708	594388	571360	1008650	658658	1414000	1087024	1048416	985056	1389904	713898	1038504	2575720	777025	564388	917840	37714	1267534	1331148	1398210	1621148	1707831	1548174	716878	993632	415524	757910	1665586	25280	567728	2530610	Peptide	0.14285715	1.0	0.2857143
2	C12 H18 O5 N2	271.12885	271.12933	0.02313582	271.12885	111639	115103	99462	104717	182249	134993	49631	109009	185986	48873	49893	78988	274360	56220	70815	42807	121286	259516	236905	52706	84045	152388	87225	102238	40020	3902	21689	35384	124921	68149	116624	107155	209133	104880	86661	98405	168086	67506	139060	58260	51707	138672	1114	420	699	52724	45509	501	113259	61609	107737	117065	174566	1284	211473	86675	73991	146517	69353	63957	61277	26188	295269	224394	76743	239088	155086	155806	10295	19152	17373	103884	111815	82798	27841	90141	426	69781	65591	31857	49560	27420	31657	12070	115808	74074	72501	180882	186246	159499	137465	164341	200040	41764	22426	1511	109391	107402	99792	109391	101220	128865	85142	82300	32451	149702	109142	647	52892	399550	Peptide	0.41666666	1.5	0.16666667
10	C12 H18 O5 N2	271.12885	271.1292	0.014690934	271.12885	73212	67679	68385	57974	46785	41015	53100	69844	53667	44184	32885	44374	50399	22190	62986	84325	76620	72046	74053	36631	36052	78347	58645	84896	64643	5367	67048	50486	69212	54275	52616	60964	90615	61506	69202	54483	95434	57725	90440	30020	31646	38601	1228	581	608	38252	33384	714	67274	47894	75843	71084	48745	1247	76945	28914	26177	81955	60806	44114	85802	17630	37013	45950	32640	56214	39164	88897	10231	13812	15390	52110	51394	50114	62006	51357	721	48595	56786	41835	44522	32219	42203	15043	44515	42981	70604	49288	49261	107765	666791	410084	134310	33009	56143	1485	65977	65543	34731	33343	36134	82807	45406	56920	26972	71473	45583	866	57783	69959	Peptide	0.41666666	1.5	0.16666667
12	C12 H18 O5 N2	271.12885	271.12924	0.07463469	271.12888	25705	31536	24093	26831	12853	16230	21588	25132	17573	11955	14915	16126	19140	8291	22478	36876	26274	22476	27315	15419	12037	35273	21170	33816	26105	1992	23882	18469	20009	20661	22032	27142	28395	23650	15746	25269	39737	22580	32714	10046	9563	18115	995	780	834	14849	9574	600	24904	18979	22707	29365	21135	790	25102	9287	12964	31086	13243	12537	33275	7507	13389	14319	10104	18703	15101	27500	0	5955	5273	21905	19596	18057	23344	21717	498	14842	15307	33106	14158	11555	18877	6108	14034	13372	26535	19976	20912	56653	191395	99976	58358	17615	19868	862	24014	26865	14178	7740	11434	31497	15791	20221	0	33453	15184	946	19750	25540	Peptide	0.41666666	1.5	0.16666667
14	C12 H18 O5 N2	271.12885	271.1292	0.07314661	271.12888	9317	11835	8967	7427	5261	5704	7131	9644	5460	4529	3504	5939	6996	2554	8257	6665	11399	8006	4570	4897	0	13607	7740	12693	8301	1446	7937	0	7741	8076	5538	9525	9977	7568	3839	7203	11118	7430	12048	3343	4112	4771	0	526	893	3251	0	816	9314	9354	7640	11055	4772	876	4646	3278	6690	12117	5357	0	0	0	4363	4618	5151	9268	4525	13176	0	1892	2699	9210	6418	6750	10203	5369	610	6727	8885	0	5929	2193	6776	3374	3656	3128	10606	9814	8284	22263	27147	21527	21430	2851	3451	811	7222	5425	3802	5616	5926	8514	8020	7304	0	11848	5439	815	8017	7704	Peptide	0.41666666	1.5	0.16666667
20	C17 H18 O3	271.13287	271.13318	0.06310743	271.13287	391392	431990	392634	336294	348827	273637	238206	365108	288084	507508	432497	240027	315209	297456	294140	442807	347232	360116	436529	677417	651395	437978	275542	434600	287037	809093	268178	441409	370583	315850	276210	347678	449838	357101	571815	326675	459226	256901	344851	467378	550968	296937	27214	15164	13090	291782	333119	15182	349407	295055	389139	406403	310978	13795	272918	268692	229806	423536	261751	275205	387760	299333	321066	263724	189700	362728	315788	356920	593422	725549	865428	318887	321047	289601	337473	347639	9204	236445	346518	384294	276623	211896	271402	371998	303872	246325	369686	335554	325972	447939	439470	390527	538146	353138	396197	23751	363212	390135	294696	302640	314305	445453	258930	414109	221307	353561	262043	14165	311403	336794	Phytochemical	0.1764706	1.0588236	0.0
24	C17 H18 O3	271.13287	271.13318	0.07631145	271.1329	146944	149660	128139	133399	167146	123318	78287	133598	118045	186174	197217	101657	170757	135982	109644	156246	115714	180193	201438	238863	223729	171116	130236	164336	112909	178886	67727	206581	124687	123542	120443	140460	160589	134750	210911	132366	180888	86740	110914	168287	152857	123353	34445	24296	36327	121682	98342	25918	144793	132318	142176	129293	140681	31269	130740	115390	91588	158570	109549	84376	157453	129483	139831	116260	79897	178372	160444	101632	161844	183202	188714	136226	122980	110627	78228	128081	29108	109695	128600	135566	114822	98963	94631	137100	129735	102268	125007	124691	131978	122959	162870	144449	198776	147931	173863	30977	140447	143930	156679	117672	128399	164274	96672	165894	94950	141872	110389	27263	104009	133797	Phytochemical	0.1764706	1.0588236	0.0
22	C17 H18 O3	271.13287	271.13318	0.05127003	271.13287	292950	315940	243990	276583	291763	244693	159844	266094	219342	420029	426910	179960	216818	243339	217619	333515	247998	322923	287108	529637	537725	355067	222624	319197	228754	471721	144923	417318	290924	231924	237300	257272	326106	281072	431068	281993	339865	193980	215786	360596	378328	230932	44442	21978	21684	260302	235074	20795	274932	239842	279950	277734	268608	27427	242467	210543	187409	324207	211998	201145	330725	262818	234846	200022	151894	300202	301683	230298	339289	475220	489411	278106	216199	215319	177154	255182	12827	179193	243866	276639	214668	194069	198212	262627	240151	194243	264729	270092	249317	280032	314486	309521	391463	292440	353637	36510	258059	294968	233272	223136	229773	344713	198677	307490	191627	305805	206279	18141	211644	264206	Phytochemical	0.1764706	1.0588236	0.0
24	C14 H22 O3 S1	271.13623	271.13644	0.14763828	271.1363	0	1366	2613	1050	1312	3941	0	0	0	4544	2243	0	1498	1011	0	0	0	2936	0	8089	9747	4016	0	0	0	0	0	4852	0	0	0	1440	1074	1204	4197	0	1480	0	0	1594	1218	2027	0	0	0	5093	4568	0	1026	0	1374	0	2090	0	0	0	0	1209	4073	1877	0	2012	0	0	0	3389	1996	0	0	0	0	1096	0	0	0	0	0	0	0	5925	0	3872	3700	1351	0	0	1319	1361	1141	0	26799	28418	1491	4837	9235	0	0	0	1680	0	0	2164	0	5906	5400	1173	0	0	0	0	Organosulfur	0.21428572	1.5714285	0.0
2	C11 H18 O4 N4	271.14008	271.14053	-0.06008455	271.14008	8635	7629	7311	5405	6275	0	4544	6717	6609	1928	2598	5527	10340	4028	5563	3429	10293	8362	11900	3062	3122	8855	8510	8087	4471	0	0	3602	7322	4326	7193	7842	9522	7307	4144	6455	8182	8466	13671	1937	2018	6945	0	0	0	2799	1326	0	6106	4657	6779	8671	6011	0	6550	3568	4181	8860	1918	3640	4161	1211	8861	5520	5423	8772	7629	16190	0	938	0	5607	7022	5300	1994	5579	0	4259	8188	4578	6180	1091	1983	427	5782	5589	8989	9082	6710	33611	4942	6743	20870	2442	709	0	7399	7334	4423	4847	4635	6795	5887	3305	1159	12368	4606	0	7251	11641	Peptide	0.36363637	1.6363636	0.36363637
10	C16 H18 O2 N2	271.1441	271.14447	0.036281213	271.1441	8134	7130	4718	6025	1550	3679	2370	6886	0	13535	18198	3373	0	1709	2752	8154	6838	1585	2021	20141	15717	4046	2972	9394	5453	16062	3966	20298	6587	4676	3235	7775	7148	5804	8451	6151	10025	3743	7854	10230	7719	3709	0	0	0	5045	9577	0	8323	5188	7500	6508	1741	0	0	0	937	7480	0	1860	0	3026	1353	1058	935	1157	1675	10666	9794	16558	18094	6418	4495	5345	5104	5681	0	3141	2908	6986	4265	1208	970	7915	0	758	4801	2964	1878	11211	9350	2439	11732	7526	13181	0	7668	5592	0	0	0	6998	3078	4692	0	7491	0	0	4635	0	Phytochemical	0.125	1.125	0.125
8	C16 H18 O2 N2	271.1441	271.1445	0.004199698	271.1441	11248	9531	10687	8660	1224	2960	9303	16674	3169	16482	16903	8941	0	2334	7515	15636	14106	1148	3717	22931	20154	4211	7350	11797	14323	17807	22991	21355	12620	17228	13735	16534	15894	13509	16012	11187	18239	7825	14984	9709	8125	8380	0	0	0	6943	12894	0	21895	12073	10394	12719	2809	0	2998	771	4367	13164	0	2041	8850	3407	983	1467	4845	1458	4141	19167	10126	18657	19233	11088	13388	8918	10870	10084	0	7661	8966	12752	7604	1632	1187	15044	0	0	7115	5775	4827	16449	0	0	16655	9231	20126	0	12378	12394	991	737	0	15399	7159	6078	0	11910	0	0	14246	0	Phytochemical	0.125	1.125	0.125
16	C16 H18 O2 N2	271.1441	271.1444	0.09744832	271.14413	8528	6558	13534	13000	7002	4805	16696	8638	3316	4168	15824	6648	3518	6801	7590	17024	53834	4258	6502	17906	9224	15992	5350	13154	9850	25900	28302	14214	0	11666	10322	0	8758	8636	9056	10774	8930	14346	58240	10594	34626	5470	0	0	0	5914	19356	0	10528	11398	14916	14918	4106	0	0	0	4932	16112	2812	13744	0	6120	1914	3030	5446	2970	9010	46208	17790	12844	30256	6454	7068	6014	17570	6856	0	6752	11434	18070	11028	0	8608	13342	2758	2804	18706	6398	6816	0	6958	0	0	12316	24824	0	4868	8560	4611	0	4943	13740	6086	4406	0	0	1702	0	16158	5755	Phytochemical	0.125	1.125	0.125
0	C13 H22 O2 N2 S1	271.14746	271.14764	-0.6049272	271.1473	0	0	0	0	0	0	5153	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30163	5152	0	5925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4335	3491	5181	2509	2231	3094	0	3765	2414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9982	0	Peptide	0.15384616	1.6923077	0.15384616
22	C14 H22 O5	271.154	271.1543	0.05717508	271.15402	37117	38725	30074	43495	43810	44873	46750	41566	43817	22301	21912	22365	40631	218110	42347	36187	31374	58742	52929	20949	17941	23637	27559	25373	46142	6179	46034	53728	58993	41254	43320	61658	55376	45053	19343	56049	56317	33883	29068	16596	7186	36957	17454	8877	9103	18188	17445	8699	47707	39399	37329	40052	46018	33826	58026	38340	29836	44665	30105	14637	40502	9757	87646	38029	136454	57314	72120	28459	4409	7109	4574	34815	42007	57523	19103	45785	9365	31757	23983	40669	24975	19384	47539	25660	36474	32407	35623	33755	39088	31012	101262	80611	30837	20962	14698	11808	31967	44877	38516	35457	44850	56956	32973	32300	30606	31965	34941	10710	28930	56031	Lipid	0.35714287	1.5714285	0.0
6	C14 H22 O5	271.154	271.15442	0.001657875	271.154	17070	16358	12894	15574	11052	2999	18578	21426	12638	3305	4801	13600	15324	5813	16444	22270	22994	13668	17284	9290	12538	19622	6810	17924	7077	3629	15712	5743	17546	20102	14860	16322	17516	11774	11536	20372	17882	14516	25012	3405	7854	13678	1128	979	1204	7900	7782	1113	17508	16096	16246	15000	11808	1419	17804	9278	12848	30328	6351	14104	19220	3646	12996	4863	3542	10608	14022	21974	2411	2919	4599	10790	13734	27236	6045	14752	959	5237	17928	4176	17262	13170	19240	6106	8628	6041	20936	8800	10628	18074	3650	31306	11391	8262	6008	896	16324	19784	5384	12993	15425	21022	13442	7290	0	7819	17282	807	14496	11862	Lipid	0.35714287	1.5714285	0.0
24	C14 H22 O5	271.154	271.1543	0.099137016	271.15402	19254	21198	14286	19939	19025	18272	25628	14641	15070	9916	8354	10824	24084	72872	18985	17944	13037	23065	20151	12784	9541	9649	13505	11339	15309	2216	25004	14882	20164	16822	18943	20306	22506	14104	12228	21091	27942	12341	15542	7953	8039	14417	7057	4062	9553	10182	6392	4951	20013	12488	16127	17511	13632	9229	22945	17898	12559	23131	10001	7382	20210	7584	23095	13356	50485	20619	21057	16920	3075	7865	4510	13762	16151	18637	10435	20821	8245	12367	10723	16510	9902	10181	23767	12884	10622	10795	13839	11483	16465	9412	59686	55678	15556	7647	9609	5727	15968	18455	15624	12153	15664	21990	12160	11679	13258	17047	10788	4948	9760	20704	Lipid	0.35714287	1.5714285	0.0
8	C14 H22 O5	271.154	271.15445	-0.036192738	271.154	40970	46756	34022	85340	31050	27672	99488	99080	26308	22364	16048	28880	38716	26898	91540	129252	130732	33332	42188	56568	22614	88348	37146	119416	34686	17436	95968	15494	126300	57076	87364	120080	42528	49434	27042	122584	44284	38110	147640	16892	40920	35488	5412	2122	2852	32078	29044	2428	59892	101680	86228	41838	36284	2864	46868	47864	29960	119232	21924	35446	67790	9068	38778	30418	22072	37074	32674	130784	12458	11436	12896	35900	91560	118804	60444	54734	2080	31936	65742	33166	34470	56948	55410	44418	52556	27262	73344	22878	40360	146618	40034	53436	148653	19896	25050	3240	48916	117896	32572	72276	81610	131908	33338	46988	0	92924	39508	1956	82100	32200	Lipid	0.35714287	1.5714285	0.0
10	C13 H22 O4 N2	271.16522	271.1656	-0.018128982	271.16522	31928	31880	30999	38333	13774	11748	14971	28019	12312	21290	20511	18477	17344	6164	17405	41817	38326	21014	22420	11491	14250	32378	20547	31281	19477	3322	24576	47099	23627	22238	17874	26291	31729	21388	14242	23117	30839	13853	42895	10139	9852	11980	921	0	0	27889	17616	0	24363	20108	31628	32759	13602	0	21900	7152	6710	34338	10516	13569	36131	4385	13461	13130	7039	20046	10329	51479	0	5705	6705	19350	16590	19903	22907	17673	0	15184	21926	593641	16738	13803	12674	5210	10648	9698	25094	17159	13521	54119	388671	121098	47965	125825	103624	855	36852	33949	8005	5900	8686	29482	14696	14776	0	27735	12153	0	23247	18883	Peptide	0.30769232	1.6923077	0.15384616
16	C13 H22 O4 N2	271.16522	271.16553	0.12853098	271.16528	1912	0	1657	0	0	1463	1948	2373	1652	0	0	1904	0	1248	2150	1766	0	2436	0	0	0	3141	1430	1589	2075	0	1446	24580	3992	1348	1323	0	0	2139	0	0	0	1575	1522	0	0	2159	230	0	0	0	0	0	2782	1998	0	2041	2151	0	0	0	887	3625	0	0	0	0	0	0	2030	0	0	1813	0	0	0	1493	1189	0	4981	0	0	0	0	8864	0	0	1250	0	1378	3747	1674	2838	1785	0	10680	9885	0	1723	0	0	2983	0	1311	0	1398	3741	0	0	0	0	1732	0	1409	0	Peptide	0.30769232	1.6923077	0.15384616
14	C13 H22 O4 N2	271.16522	271.16556	0.05084031	271.16525	9776	10953	10146	13131	9077	8139	6433	11057	2630	2183	1786	5447	4998	3946	8049	21127	8660	7077	6632	2298	1593	12394	4613	13748	14016	0	8412	8458	8291	8435	9451	12380	11395	14775	5397	11193	13984	5522	10575	4359	0	5587	0	0	0	7052	5272	0	13152	6328	8874	9914	8597	0	6309	2903	4132	26616	0	7469	0	0	3518	3948	2400	7768	4560	11722	0	0	1553	10326	7706	8380	8688	6610	0	4373	8163	29761	4416	3382	5836	2181	1819	3888	16041	7930	9986	60362	55571	28300	22258	6518	5789	0	10046	12874	2068	2604	2164	11058	6300	9948	0	18225	2693	0	16263	3989	Peptide	0.30769232	1.6923077	0.15384616
8	C13 H22 O4 N2	271.16522	271.16565	-0.013749744	271.16522	53375	65356	51081	59571	28631	17197	15372	31691	22748	23242	14137	14705	33648	10053	22274	53942	24661	24087	26616	15210	11630	54619	18558	46043	25162	4553	17812	60849	26223	21479	25377	31314	36621	27239	19077	27564	36235	14795	40485	13350	15479	16100	0	0	0	22325	26400	0	34942	21476	59355	54944	21779	0	39069	9662	9155	57867	6926	16214	40271	4700	35335	33080	7534	33611	18490	38436	4505	8052	7504	27485	26646	19466	22102	24363	0	18290	32315	80488	17641	15284	13984	7648	19532	10974	40297	18157	22687	70355	1298989	1572464	104407	30339	34588	0	52060	62664	12565	11568	11962	34415	17982	25179	7127	49517	22258	0	26986	47810	Peptide	0.30769232	1.6923077	0.15384616
4	C13 H22 O4 N2	271.16522	271.1657	0.009845163	271.16522	48912	59012	55105	55161	47026	33639	32110	75661	44200	23078	9937	29183	67636	20556	45219	63288	35250	64018	75393	31960	27658	88109	32863	62181	42844	3669	27213	14322	103104	41378	90078	73297	95846	61014	46318	68459	75019	36644	38754	24382	20707	30431	0	0	0	34548	29909	0	64845	45128	54997	46238	39923	0	72875	17640	15082	80113	17812	16945	72119	11983	73051	47868	10335	54430	36683	38550	4812	15030	9389	74839	69820	72519	27732	58260	0	50409	33223	38128	23030	16176	19470	10700	20117	22424	42366	31533	42745	84216	135189	94753	140907	19930	28176	0	53606	54821	20549	19814	20093	63081	47829	44252	15090	68893	31793	0	30819	90665	Peptide	0.30769232	1.6923077	0.15384616
10	C18 H22 O2	271.16925	271.16962	0.017387418	271.16925	9135	8501	6437	5522	5409	5653	10890	11166	5046	4659	3013	8716	0	3929	9903	12652	10931	3574	4431	5837	4766	13081	9214	13179	8491	9340	8990	4962	10156	10038	7059	10245	6386	9850	6485	8588	6844	9033	16352	6177	8984	6117	3115	2455	2895	7151	8594	2941	8944	9140	7662	7842	4414	2255	6452	6415	4649	13872	8672	9165	16355	2372	1920	2506	3940	3425	3977	16852	0	5139	7323	6095	8204	8274	14322	14040	2363	6511	15960	5550	8823	10092	11133	3579	5907	5008	10520	4199	6201	20469	7799	6102	13213	4693	9897	2881	6250	9308	6633	9320	9652	9622	9753	8371	0	7765	4677	2311	9919	1915	Phytochemical	0.11111111	1.2222222	0.0
28	C18 H22 O2	271.16925	271.1696	0.038500756	271.16928	28479	28801	24867	24669	26503	18001	21232	38117	23894	23120	16526	18887	25601	29380	25899	39420	32226	26896	34363	32755	27388	28604	28910	35961	29955	34153	25063	21173	38426	38786	35472	38900	39269	32630	23356	42812	30642	24431	34658	20042	19749	43181	4766	3780	6559	23448	17239	4585	35419	33613	27772	26218	25220	7049	24884	26258	18186	43490	19484	13912	38410	14685	21920	18684	20612	28570	27166	35493	23359	26639	30221	24233	25640	42361	27444	36984	5455	22408	29349	29612	20505	15373	20624	18136	31003	19348	48487	21012	21707	38608	32038	33279	44609	23729	22433	4140	24524	27004	19736	35141	37380	49956	22892	32388	17691	35809	26566	4392	26965	14597	Phytochemical	0.11111111	1.2222222	0.0
26	C18 H22 O2	271.16925	271.1696	0.08547977	271.16928	142297	142545	127257	127158	133802	87791	100793	170822	121680	108733	148225	105988	151214	110049	148137	166835	149390	124457	179295	175869	176982	148050	106158	159777	148872	161404	102396	186572	156323	171541	151606	164147	183525	139632	151480	198144	171814	128665	152290	136287	142432	361916	7252	7768	0	104860	90693	7941	162653	147010	147160	138980	118937	0	124703	123129	100451	200056	106320	89812	168979	91269	98513	91925	65210	143891	166695	182224	135364	138953	152332	120454	133403	168688	131984	167919	0	122790	167072	187619	105372	106380	130506	117335	121515	93376	225500	114176	106437	191519	168097	154586	227205	146391	140804	7204	137929	148936	122641	155146	169577	208017	109222	150588	106729	134914	107384	7095	162307	84116	Phytochemical	0.11111111	1.2222222	0.0
12	C18 H22 O2	271.16925	271.16962	-0.002685405	271.16925	55213	52135	44129	53067	19406	14965	38446	37234	17413	22636	49392	23857	12338	13261	26377	58944	55555	22295	22455	25140	16326	49421	28985	44151	32449	16143	52410	64061	34176	36521	31166	40610	42250	28774	22030	41362	37022	27186	62048	17381	28487	18814	2777	2394	2586	53410	45642	2949	41594	38955	51899	57317	20777	1947	20523	16439	17542	59529	19970	27547	24272	10946	14147	17306	15164	16257	19014	57388	0	21346	24452	27146	27283	36613	56447	39388	1493	24526	36146	175336	33316	30919	34428	19010	19444	18306	42689	23385	24462	109414	810696	293325	79325	52872	64350	2712	48878	58968	23038	23258	26139	48961	30471	35931	0	41564	23779	2612	39511	19173	Phytochemical	0.11111111	1.2222222	0.0
6	C12 H22 O3 N4	271.17645	271.17682	-0.08239154	271.17645	1592	1470	1930	2110	0	1580	0	1911	0	0	0	1144	0	0	1186	3549	2020	0	0	0	0	0	0	2267	2086	0	0	0	1402	1453	799	2298	2663	2407	733	1590	1417	831	3032	0	0	464	0	0	0	0	0	0	1603	1032	2452	1547	0	0	0	1081	638	2455	0	0	2685	0	0	0	0	0	0	3293	0	0	0	1314	1798	1039	1980	1197	0	558	771	0	1084	0	0	0	0	0	2077	1368	647	5606	25169	0	1736	729	0	0	1028	1264	0	0	0	1066	560	0	0	1869	0	0	1350	0	Peptide	0.25	1.8333334	0.33333334
8	C17 H22 O1 N2	271.18048	271.1809	-0.12359016	271.18045	0	0	0	0	0	0	0	1093	0	2021	1055	708	0	0	0	2470	0	0	0	950	2087	0	0	2458	0	2097	0	0	1239	0	1343	1142	917	1246	1181	1386	0	0	0	0	0	624	0	0	0	0	0	0	0	1902	0	0	0	0	0	0	0	1438	0	0	0	0	0	0	0	0	0	1027	0	0	0	1522	1228	1059	0	0	0	0	863	0	642	0	0	875	0	0	0	0	623	2484	0	0	2980	0	1565	0	0	0	27704	0	0	0	0	0	0	1715	0	0	0	0	Phytochemical	0.05882353	1.2941177	0.11764706
6	C17 H22 O1 N2	271.18048	271.1809	-0.07552102	271.18048	0	1654	874	1799	0	0	0	1015	0	1308	1125	885	0	0	0	1964	903	0	0	1912	1985	0	671	2352	775	1547	0	0	1926	868	0	1766	0	1819	1420	677	0	589	0	0	0	0	0	0	0	0	0	0	1526	2014	1386	900	0	0	0	0	0	1685	0	0	1478	0	0	0	775	0	553	1719	0	0	0	1286	1127	1313	1275	1124	0	800	0	0	546	0	0	1315	0	0	0	0	554	3934	0	0	3745	751	3040	0	1288	0	137757	0	0	1029	0	0	0	1833	0	0	0	0	Phytochemical	0.05882353	1.2941177	0.11764706
26	C15 H26 O4	271.1904	271.19067	0.13841705	271.19043	9307	11210	11822	11172	6559	5117	44266	0	3708	14841	50716	4394	4806	12680	10143	0	0	0	5196	5864	15968	2210	6206	0	5409	0	38405	165275	0	0	4148	4275	3704	3882	12067	6512	4699	9893	6682	5569	2555	0	9320	0	0	6612	7010	0	6673	0	9126	7142	5572	0	4959	5997	9399	6580	9911	4945	6322	7448	4036	4928	11724	9174	13044	8027	0	3325	2501	4751	2606	0	0	5063	0	3019	2807	96229	3867	110327	18253	14367	0	6624	10268	3594	4175	7951	89866	82759	4877	14555	5359	0	10867	8498	7383	3185	0	5012	5071	6150	72686	2855	5506	0	4178	3142	Lipid	0.26666668	1.7333333	0.0
16	C15 H26 O4	271.1904	271.1907	0.0238605	271.1904	2636	4603	2684	3949	5437	2999	27843	2617	0	0	0	1176	0	15084	0	2738	4746	1935	2333	0	0	2659	1435	3213	4422	8063	23812	3415	1813	4002	1832	0	3076	1672	0	2514	0	2282	7964	0	0	2330	1979	0	335	0	2493	446	0	1987	0	3097	2652	532	0	3527	3272	3942	0	0	0	0	3547	0	11016	8038	6789	4130	0	0	0	2292	4239	5668	3516	2915	0	0	2271	12903	1119	0	43960	48662	5808	3579	7218	1140	2241	0	7772	2629	0	0	1956	402	5775	3750	3157	7432	6627	2018	1452	0	0	0	2305	0	2873	0	Lipid	0.26666668	1.7333333	0.0
18	C15 H26 O4	271.1904	271.1907	-0.019273363	271.19037	29741	32793	26514	25533	9259	28611	370246	11942	1745	8976	15304	5138	6392	422346	3008	19603	14823	3615	16983	5719	6181	3647	4639	6626	3820	112320	453005	22573	12724	14678	10760	10376	5828	15515	2771	12673	8345	5082	25351	3977	17956	21825	17317	680	836	7816	9518	685	16245	12189	25410	27808	4668	2294	2252	47778	33669	12374	3683	29090	44656	9122	192728	1377	259342	12026	134932	20544	23328	27668	20742	10908	11927	17390	22584	11162	984	3991	3535	55495	5750	42459	363956	523013	5149	6598	12101	8153	14440	20962	27534	18813	13182	7945	9523	2095	30779	28961	43148	6379	11742	10673	3608	15381	3888	9185	2881	981	5764	35872	Lipid	0.26666668	1.7333333	0.0
2	C15 H26 O4	271.1904	271.19083	-0.08023303	271.19037	5547	5805	6103	6305	10752	0	0	10342	3774	1675	0	1657	18601	2969	3425	44910	976	8890	10930	3563	2729	9802	4726	23004	6961	0	5740	0	6249	4488	5545	6015	6067	5318	2035	5622	5426	3247	1461	1750	551	3992	0	0	0	5929	1757	0	6556	6970	5811	7322	6073	0	5854	5073	1709	16191	1325	936	26304	450	15302	5939	0	11020	6079	1173	0	990	0	8965	4802	3160	17312	5211	0	3220	3117	0	4953	969	2362	390	2285	1711	3455	3144	4234	4577	4376	4532	18094	0	12438	0	8616	6698	1310	6387	4812	6731	1988	11417	1050	6895	1224	0	3984	12407	Lipid	0.26666668	1.7333333	0.0
14	C15 H26 O4	271.1904	271.1907	-0.00661461	271.1904	7249	4007	5629	7815	9143	4038	10315	2383	1186	1829	1882	2095	8098	4702	1218	6665	0	2013	3908	0	0	0	1303	3528	2467	2409	11112	0	1924	2596	2114	0	1437	4040	0	0	3266	1268	0	0	0	1291	0	0	0	1514	0	0	3774	2312	5048	6523	3634	302	0	4583	3000	6423	0	0	0	0	2862	1494	2421	5354	3503	3336	0	0	0	4512	4833	2986	2057	2860	234	1040	2430	0	1883	1163	21211	27074	12479	6784	5788	2500	3348	14348	7892	6173	9799	0	0	0	6579	3280	1917	13989	15312	0	2180	3043	0	4575	6388	0	4051	3057	Lipid	0.26666668	1.7333333	0.0
20	C15 H26 O4	271.1904	271.1907	0.03914451	271.1904	33103	26587	36577	25524	9172	30085	465118	8917	3025	10543	20224	8769	7859	468570	8457	16996	25873	7601	12327	12397	6570	11177	7152	6296	8682	113956	543839	37208	12308	9987	6977	14728	13226	14061	2436	12292	10403	11937	27090	4225	21440	26311	25529	3033	2090	12618	19939	3004	12528	8545	29197	30054	10928	4939	5648	42781	29288	15137	6384	33481	62402	10055	161022	3186	285204	37234	125478	29596	20718	18369	21011	9953	7307	14670	21209	13210	2671	4925	4533	75403	4463	37509	361545	485110	7302	27750	29550	13711	19071	27146	64460	83863	21501	8962	11452	6225	25320	38808	37859	6834	12235	14176	5989	24412	19713	15413	8499	2281	12108	35245	Lipid	0.26666668	1.7333333	0.0
4	C14 H26 O3 N2	271.20163	271.2021	0.05121758	271.20163	10540	13829	12863	10403	11209	8464	7217	11743	4977	2203	1780	7971	5285	7501	28945	29854	5723	7164	5874	2567	3134	18079	12278	46013	19620	351	5171	0	12195	5905	15012	15128	9081	11192	4179	32060	11288	25868	7704	1627	662	3677	0	0	0	10156	0	0	13958	7128	12495	11208	7963	0	5417	1358	2515	33546	0	0	31955	0	4534	2861	1314	8591	5788	10267	0	3040	0	6567	6668	6563	12622	5589	0	7716	28765	7643	4359	1194	1115	960	2820	3053	140505	3534	4789	85225	136724	66136	72037	1569	3221	0	13033	14111	2138	1287	1698	9307	7019	3915	0	20727	3231	0	23456	9471	Peptide	0.21428572	1.8571428	0.14285715
14	C14 H26 O3 N2	271.20163	271.20193	0.08134416	271.20163	1676	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3374	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1440	0	0	0	0	0	0	0	0	0	0	1620	0	2168	0	876	0	0	0	2668	0	0	0	0	0	0	0	0	0	1629	0	0	0	0	0	0	0	0	0	0	0	22751	3284	0	0	0	0	0	1694	0	0	6779	49013	6779	5521	3733	2299	0	0	0	0	0	0	0	0	0	0	2496	0	0	1166	2439	Peptide	0.21428572	1.8571428	0.14285715
2	C14 H26 O3 N2	271.20163	271.20212	0.003016774	271.20163	7978	7113	5916	8096	4616	16713	5217	5641	1909	2917	1605	3606	6972	31139	6871	16550	7128	8282	11456	2877	2433	7157	3771	11240	15540	0	3841	1494	12007	4395	10643	12572	15434	8882	3211	16317	14646	4759	7918	2364	1202	0	1125	0	0	3196	1356	0	16434	2257	6935	7728	4842	659	3229	2821	1299	31866	325	299	15016	773	3522	3130	0	7068	13718	10147	0	2445	1588	3928	4431	4182	44803	3919	0	4360	4303	0	2500	0	545	584	2451	3489	11108	16355	6992	20292	12530	6251	24044	1267	3123	0	6132	6648	1829	1936	2482	10458	3169	4677	727	11127	1748	0	5740	3421	Peptide	0.21428572	1.8571428	0.14285715
12	C14 H26 O3 N2	271.20163	271.2018	-0.123397164	271.2016	2565	3190	3712	1895	1034	0	0	0	0	1952	0	0	0	0	0	1506	0	0	0	0	0	0	1167	0	0	0	0	8997	1680	0	995	0	0	0	2350	0	0	0	2156	0	0	0	0	0	0	0	0	0	0	0	3310	3710	0	0	0	0	0	2277	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	112238	0	0	0	0	0	0	2989	1704	0	7177	433879	102228	2993	15752	1406	0	5205	3665	0	0	0	0	0	0	0	1560	0	0	2583	0	Peptide	0.21428572	1.8571428	0.14285715
6	C14 H26 O3 N2	271.20163	271.202	-0.027721537	271.2016	11031	10672	9671	12311	4969	2785	7130	11902	2456	5920	14478	6137	6447	18238	8938	22196	10429	4486	6161	3215	1804	8933	12974	65396	25220	858	6537	36672	13226	6961	9410	14288	16172	14660	6320	13024	14459	7803	11935	1294	0	6979	0	0	0	11179	0	0	16007	7185	11805	10569	4405	0	2265	1161	2363	34242	0	0	23666	0	4582	2614	2392	7645	5133	15606	0	2435	0	9152	10310	7961	8146	7232	0	4731	15922	4356	6869	902	728	984	1493	2980	29569	3588	6092	27397	25348	10023	31098	1921	3291	0	10748	6501	1134	1440	1670	12485	5436	3760	0	30574	1412	0	15932	9231	Peptide	0.21428572	1.8571428	0.14285715
26	C19 H26 O1	271.20563	271.206	0.100469716	271.20566	87470	89014	81176	83193	91745	45959	66080	115427	66724	37553	73458	66763	75045	84066	84771	133810	145372	63923	104141	62989	65021	90119	67052	91523	99576	132778	79042	85287	100191	130947	83976	112786	97526	69170	47665	143686	80364	80058	135689	59823	74023	75446	5965	0	0	52033	66162	0	88388	113116	94716	81946	68763	0	85221	95941	62918	147268	48768	64071	116795	35503	63000	73197	40128	82810	105408	175390	109909	73778	92863	49890	68315	151368	140259	115124	0	57891	113001	120772	67747	71764	61919	64416	111223	71256	193156	55019	63467	207444	116913	95155	125010	89021	82890	0	84811	96446	153195	144392	167572	116122	60846	84273	67709	86784	93582	0	117683	39782	Lipid	0.05263158	1.3684211	0.0
18	C19 H26 O1	271.20563	271.20596	0.09786631	271.20566	3917	8430	5562	5801	3346	2563	8562	6079	5255	0	1372	5702	1483	3462	5871	4903	21663	0	3955	0	0	3869	6489	7860	8269	3118	9389	3880	5093	5379	3210	6340	4323	0	0	3062	2507	7388	23099	1469	4667	2412	732	419	304	2273	3575	398	5331	6197	4972	4876	2915	363	5004	2412	5017	6968	1961	6988	7096	0	3137	4629	5161	1874	4876	24531	1446	2478	4001	3480	3612	6590	17143	6652	294	3191	9680	5736	8701	3527	4679	0	7764	5826	13652	2633	3858	44618	6376	6758	10073	2573	3003	0	5250	3390	7001	6972	8593	5311	4055	0	1786	4652	6241	377	14123	3291	Lipid	0.05263158	1.3684211	0.0
22	C19 H26 O1	271.20563	271.20596	0.038396027	271.20566	52428	58354	42901	54109	47172	30205	79818	61829	42622	24030	34806	41301	22776	47201	52604	89658	152336	26981	44723	29787	36723	42087	42062	54440	74985	52057	78442	28670	47146	50912	41021	61997	54941	37222	26383	70175	44274	57450	158293	28267	54150	41667	0	0	883	30581	69329	0	52114	56626	55448	51280	43561	1092	46257	51870	41961	81655	24003	63178	70886	21791	35075	42512	45587	32978	51938	159729	29946	35583	57408	30338	35330	51371	123895	52635	493	36864	81007	55424	54844	34604	50527	37280	68274	47698	116139	41340	37625	247244	71634	67457	91161	37608	39479	0	45975	51384	89013	83460	83479	71898	44562	41449	35675	65135	58128	0	91517	23170	Lipid	0.05263158	1.3684211	0.0
24	C19 H26 O1	271.20563	271.20593	0.040727273	271.20566	101470	112819	88781	99178	91965	56999	101316	129049	73521	50076	65136	76673	72631	92171	97127	184161	223534	62019	96449	58079	70968	88837	83730	111028	113264	122006	109147	75361	92726	114567	79189	118415	90784	78953	54964	129344	96007	96325	211478	55229	100775	66304	6388	0	0	58485	100615	2164	105860	146141	97983	95152	76109	0	107261	96742	67084	151995	52729	80821	130365	38484	72654	66641	61102	92626	102249	219492	76766	74532	123393	69098	70953	107217	187226	105074	0	65138	133238	106010	92528	62477	73258	66187	121670	80519	196754	66252	73819	346953	135836	115390	172500	72562	85849	0	89651	100860	150443	123996	162507	132569	64930	92269	58237	118096	101344	0	138240	49956	Lipid	0.05263158	1.3684211	0.0
20	C19 H26 O1	271.20563	271.20596	0.09117895	271.20566	20808	21881	19871	14769	12030	9577	29668	26128	14104	5799	10901	20183	8292	18560	25587	43681	79024	8562	15501	8563	7917	15068	15903	26160	27008	15253	38714	11963	17725	22799	17137	22746	22395	14604	9018	23820	22684	22356	74070	5961	16470	12401	889	0	420	9575	19224	832	22315	21958	23807	24299	11125	601	18453	14743	14328	29373	8008	24668	24229	4422	6835	12220	17115	9086	15658	76574	9910	7243	13204	10032	15657	22296	65797	24499	504	21907	37650	19994	24851	10692	24657	10704	24442	17868	47422	16623	14273	93041	25964	17985	33725	12119	6195	0	19711	19230	32906	28393	31484	26058	16995	14598	7746	24831	20396	0	40972	8025	Lipid	0.05263158	1.3684211	0.0
8	C13 H26 O2 N4	271.21286	271.21326	0.082347564	271.21286	1523	2410	0	2691	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2243	0	2735	7679	5761	0	0	934	0	795	0	1759	0	0	809	0	0	0	0	0	0	0	0	0	14565	0	3204	2845	0	0	0	0	0	3324	0	0	0	0	0	0	0	0	0	2241	0	0	0	0	21227	0	3167	0	0	1126	11174	454118	0	0	0	0	0	0	1215	0	0	66708	0	0	10242	15762	4287	0	2052	2878	0	0	0	0	0	0	0	896	0	0	1462	0	Peptide	0.15384616	2.0	0.30769232
10	C13 H26 O2 N4	271.21286	271.2132	0.004593951	271.21286	18335	15386	19784	17905	0	0	7198	301008	0	1590	0	6328	0	0	11086	108097	6411	0	0	0	0	5615	6973	189606	6549	0	3595	5367	48503	38115	108647	124594	13867	82195	0	172100	31451	10485	5385	0	0	0	0	0	0	19621	0	0	29564	129702	17833	20247	0	0	0	0	0	74308	0	0	125468	0	0	0	0	0	0	8417	0	2442	0	129182	122451	76648	35462	41254	0	5807	0	17030	0	0	0	0	0	0	0	0	0	25180	0	0	0	4916	2447	0	17552	19042	0	0	0	1337	6203	0	0	207543	0	0	6643	0	Peptide	0.15384616	2.0	0.30769232
22	C16 H30 O3	271.22678	271.22702	0.03029012	271.22678	38891	36972	36749	35560	0	10690	92490	1362	0	0	16675	0	0	74785	0	3409	3129	0	0	0	0	2959	0	0	0	10383	88229	46657	1273	3758	1359	0	1500	1115	0	2598	0	0	3524	1909	4531	8036	8572	5464	6047	4825	5069	5568	1949	3476	36459	40181	0	7965	0	8880	8651	2800	0	6031	3141	1510	7861	0	48588	0	9695	3308	2651	2915	2078	1760	1459	1673	1470	3323	6775	1197	0	1467113	0	3903	27570	37904	0	1729	0	2547	2626	0	1700200	1233337	0	154338	28642	7478	45162	43541	11124	0	1437	0	4447	7808	1997	0	2450	5560	1543	1946	Lipid	0.1875	1.875	0.0
24	C16 H30 O3	271.22678	271.22705	0.035901036	271.22678	21360	20109	18248	21252	4497	15985	448632	11025	3933	6254	18693	8547	3090	197377	8346	8671	16697	2346	3964	4980	3292	5252	3005	5865	3516	38560	498821	49696	8922	7362	6406	7942	2846	5581	2448	5536	3695	8658	20727	5974	24129	14931	33123	11347	22551	13763	27410	12920	8336	12136	23722	18116	4719	26901	1847	13288	15520	3206	4925	38382	23891	6462	52432	2821	208544	4989	28004	15300	12683	11126	15318	5862	3582	7580	7800	6815	30655	6089	2862	166497	5042	23085	91353	167048	3820	6822	3837	9442	8408	9525	85490	55550	2992	14533	12076	16308	21066	23095	15906	4357	10676	4792	7488	21947	11671	2708	10469	14400	7126	10158	Lipid	0.1875	1.875	0.0
22	C20 H30	271.24203	271.24222	0.084854715	271.24207	0	0	0	0	0	0	2888	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9181	0	0	1216	0	2624	0	0	0	0	0	0	0	0	0	0	1192	4145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4506	0	0	0	0	0	0	1311	0	0	0	6441	1676	0	0	0	0	0	0	9648	0	0	21575	2832	0	18464	0	0	0	0	0	0	0	0	1409	0	0	0	0	0	0	5095	0	Lipid	0.0	1.5	0.0
28	C20 H30	271.24203	271.24234	0.07599323	271.24203	5831	4715	5121	4167	1430	1080	7498	5599	2022	1048	4676	5380	0	2481	8460	15126	7364	0	0	0	0	3913	24176	7474	31206	3648	8602	5384	5505	6662	3964	9209	3541	4571	0	11772	1553	11778	7398	0	917	3090	0	0	0	2042	0	0	2588	5962	6042	6771	1208	0	2452	4749	2769	21827	3281	3162	6784	1789	1084	1649	4287	1245	3625	9929	3524	1392	0	1516	2283	7143	8739	5136	0	3359	53145	13932	34720	7180	4440	2420	3545	4386	81085	2247	2310	77655	7850	6760	15587	5119	0	0	4269	6249	1556	3922	4075	5558	6110	4077	3594	9208	4660	0	32272	0	Lipid	0.0	1.5	0.0
26	C20 H30	271.24203	271.24228	0.036140203	271.24203	23082	18879	25131	18981	2546	0	26500	7563	2657	0	4498	7157	0	7716	20140	30024	23450	0	0	0	0	8764	33209	21433	36885	0	31176	9718	8332	13213	4983	10496	4642	7457	1666	13892	3384	27278	21996	0	4231	0	0	0	0	0	0	0	4398	11244	21818	23315	0	0	0	0	5051	36384	3223	6627	21379	0	2108	0	8085	1319	2506	32087	0	2387	2184	0	5260	12532	21095	10082	0	4167	286491	83501	94930	24249	9305	4979	0	0	369866	3579	2846	1157001	22132	19021	141922	14893	0	0	21843	21966	3298	3148	7348	8899	7319	0	9031	15590	0	0	72451	0	Lipid	0.0	1.5	0.0
24	C20 H30	271.24203	271.24225	0.0658397	271.24203	4307	2109	2927	3379	0	859	13762	1735	0	0	0	1357	0	4403	5338	5203	13525	0	0	0	0	2568	5904	3921	8412	0	14101	2418	1259	2691	0	4496	0	2602	0	4594	0	5755	11481	0	0	1223	0	0	0	0	1517	0	0	3039	2573	2592	1603	0	0	0	1695	8168	0	1483	2868	0	0	0	3585	1415	1971	14453	0	0	1193	1125	1704	4354	7457	4345	0	2023	20339	5849	8747	2824	2296	3061	1129	0	32930	991	1619	69276	5488	2153	10623	0	0	0	2424	2611	2205	0	0	3179	2031	0	0	7138	0	0	13397	0	Lipid	0.0	1.5	0.0
22	C14 H9 O5 N1	272.05536	272.05566	0.061234146	272.05536	1567	3442	4371	5448	4011	6238	7016	4783	0	0	0	6844	2016	0	5914	9927	15411	3202	3295	0	0	9362	6904	10718	6840	0	7600	0	4595	5716	4982	5918	10019	8123	0	6788	7853	5736	18665	0	0	7015	0	0	790	1740	0	0	10091	5669	5643	2876	7387	974	1764	0	2686	13035	0	0	9537	0	2521	5004	3687	3548	6075	16927	0	0	0	5069	4286	1512	9848	4423	292	5580	14997	0	10163	1643	1520	0	3059	2791	17587	12918	8947	41658	2118	0	15673	3032	0	0	3284	4638	1340	2579	1900	14316	6670	1630	0	19365	0	0	10794	2850	Phytochemical	0.35714287	0.64285713	0.071428575
14	C11 H13 O5 N1 S1	272.05872	272.05908	0.07552801	272.05875	8728	6118	8829	7261	11485	12134	8404	3960	7352	4040	3817	5860	14609	3593	6438	7065	4357	16826	9860	2593	3115	8213	2218	4439	6784	0	6521	0	6100	3157	6794	6473	14525	5700	3903	6017	18296	5382	7379	4252	12953	7473	0	0	0	3351	5631	0	6857	3187	10660	10517	14093	0	6730	3544	4389	15814	0	5255	0	3054	5640	6868	2980	12526	7352	7798	0	0	2846	4490	6512	3420	3244	4494	0	5024	5197	0	3576	2379	6463	3666	5361	4255	7918	10448	10918	6750	16207	20857	12194	7463	5795	0	7343	8275	5023	8408	8266	9243	4350	5794	0	14060	4660	0	6150	11809	Organosulfur	0.45454547	1.1818181	0.09090909
10	C11 H13 O5 N1 S1	272.05872	272.0591	0.108084075	272.05875	7474	10789	8201	10042	14425	10467	4433	5493	10417	10274	8495	2950	20768	5901	4478	7082	9058	20377	12261	7640	14044	14607	3188	5698	3515	2626	4187	5048	3289	3583	3792	4041	8227	3789	14370	2171	11603	3319	9194	17185	27152	4180	0	0	0	9171	17498	0	5105	2053	14310	9622	10565	0	10482	8840	2426	9688	8537	17416	10728	12697	8760	9081	3340	10880	5918	5968	0	6849	6821	3205	2975	1920	3976	2845	0	1875	5239	8913	3688	8593	7986	9029	13525	5132	6500	7015	8211	9026	14341	23025	9438	17162	17536	0	9178	9093	9286	11555	12746	6395	2131	7512	0	8287	12389	0	2296	17205	Organosulfur	0.45454547	1.1818181	0.09090909
12	C11 H13 O5 N1 S1	272.05872	272.0591	0.065120496	272.05875	10646	14101	12582	11906	14991	14220	8154	5459	11470	8884	9288	2763	14868	5928	3812	14680	10786	29599	15296	11244	10278	17228	4676	7726	6037	1513	7150	0	9350	5573	6976	8578	13834	10518	13887	6883	31777	6154	9181	9890	28793	8075	308	0	0	7608	12196	0	8920	4355	11511	14057	12223	0	15153	9161	4389	13915	8455	15978	15727	7447	12015	7111	3410	17620	9181	8103	0	3382	9725	5931	5827	4811	8575	5318	0	2191	4649	0	3995	7506	7355	7086	4996	4145	7161	12746	8124	5989	25307	37178	12738	13414	21143	0	14764	14026	9007	13331	11911	10831	3925	10439	0	13570	13226	0	3396	20663	Organosulfur	0.45454547	1.1818181	0.09090909
8	C11 H13 O5 N1 S1	272.05872	272.05917	0.14012332	272.05875	6777	7814	3476	6042	10995	6156	2125	1536	9549	4656	4453	2393	15463	3273	2681	5792	5971	12014	10658	5338	9453	15942	2458	6153	3230	1820	3107	4607	2404	1306	1655	2929	5894	2925	10340	1281	4381	2537	5179	11203	25495	3826	0	0	0	5635	14641	0	1764	1757	5184	5279	8713	0	9226	7003	2977	4773	5649	11291	4896	8040	8686	7705	3377	8370	3807	6631	3539	4539	7638	1128	1798	1024	2543	1755	0	1913	3863	6317	2187	5609	4274	5351	7662	3614	5150	7204	4140	9396	0	19053	12415	14028	12062	0	5690	8240	7451	8378	5508	4193	2133	7899	0	8926	7995	0	3208	16213	Organosulfur	0.45454547	1.1818181	0.09090909
2	C11 H13 O7 N1	272.07648	272.077	0.15319489	272.0765	3983	4936	3883	3722	9984	0	1191	3235	8786	1731	1384	3011	16726	4706	2280	479	2963	10976	9818	1787	4140	5175	3839	2419	871	0	0	1253	4447	2076	4095	4282	7421	5129	3126	3134	4447	1883	3166	2194	2199	5830	0	0	328	2401	1052	0	3413	2017	3426	3674	9367	266	10147	5840	3660	5027	1248	1417	1945	862	17702	12878	2771	14488	7529	3788	0	1062	955	4491	4514	2497	479	3518	0	2221	1892	0	1818	1851	1269	862	5431	3751	1884	7977	7358	3975	1503	3348	5639	1711	329	507	4230	4441	4915	6913	6813	4065	2791	1649	1042	4074	4182	0	1826	22818	Phytochemical	0.6363636	1.1818181	0.09090909
6	C11 H13 O7 N1	272.07648	272.07693	0.11685515	272.0765	24745	24533	19863	27325	52057	30454	8997	18904	55980	16003	20075	14979	78930	16870	12597	20193	26487	76700	56959	13361	26512	20946	18212	15616	5833	0	9986	4831	15820	16942	16432	19943	33415	19681	18735	18205	26032	11651	32778	11532	20009	31472	1210	283	430	10653	10941	310	21261	14662	28957	28590	42640	702	58819	43961	19804	19182	9021	16714	20029	9440	85973	53011	24698	54879	36224	39479	5066	3509	5101	14283	17124	15064	17256	13746	442	11542	11091	4469	9002	5274	4148	3420	39281	21314	13205	39121	39448	27170	9058	14525	28672	11169	8219	394	22853	22816	28834	49147	49866	29992	12498	12377	0	21126	40427	299	7706	124795	Phytochemical	0.6363636	1.1818181	0.09090909
4	C11 H13 O7 N1	272.07648	272.07697	0.10138342	272.0765	10137	10402	9165	10803	18219	10730	3576	9473	17956	3932	4528	6951	24879	5156	5198	10001	11924	22797	18936	4308	7168	9469	7952	8074	2328	831	5590	0	6784	6404	6824	6020	11986	7934	6304	6461	11513	5686	14369	3405	6444	11730	809	285	521	2945	5135	575	8810	8064	9939	9031	14340	582	18504	20390	8191	8944	4259	4900	8515	2680	36417	22178	11141	20245	9109	12931	2065	1791	2215	7854	6367	6421	3533	6738	382	5072	6518	0	4781	2465	2422	1028	17610	9013	5238	15582	13815	12523	3432	5935	13089	3648	3665	893	8090	9442	15840	20613	20097	11564	6555	6006	0	9238	14781	449	3853	43481	Phytochemical	0.6363636	1.1818181	0.09090909
12	C11 H13 O7 N1	272.07648	272.07684	0.08456692	272.0765	10776	10532	9800	8733	17377	15963	5448	5704	24019	1731	4190	9485	19590	8483	9614	9762	15051	21960	24178	1949	3780	7131	13652	8215	4213	0	4808	0	7592	7836	6809	8300	12077	7700	2428	9280	16856	9506	16369	3843	0	12492	674	534	628	3700	0	654	7825	6220	8899	8352	15462	488	27533	11256	11524	12386	0	0	0	0	27917	21125	9996	22698	14276	10329	0	1667	0	6029	7607	4980	11094	8905	480	8794	9076	0	6064	1691	2768	0	12876	7222	8536	14685	16065	12106	4076	8610	16913	0	1597	772	11377	6860	12644	13303	11432	15119	8496	6763	0	12588	13577	403	5639	38471	Phytochemical	0.6363636	1.1818181	0.09090909
10	C11 H13 O7 N1	272.07648	272.07687	0.11422334	272.0765	20449	21062	19192	17721	37080	29518	6509	12471	48483	7090	16185	17573	53536	16629	14529	13461	26675	52384	46700	7885	15948	15123	18025	14622	6335	0	10435	11252	12512	11848	11583	11961	23807	10070	8084	10879	23009	12285	25501	6107	16300	29782	1392	740	457	5022	5760	560	13883	10908	20733	20136	30426	1000	52976	26248	17622	13841	7183	12467	18327	6970	53554	51828	18890	40555	28117	24271	0	2315	2131	12661	8494	10461	15610	10477	540	12404	11951	9246	8913	3883	4467	1540	32047	17502	14174	30225	28710	21962	14112	25530	17913	16457	3710	633	20814	19700	22524	27747	30329	21785	15864	7208	0	19094	30469	0	8687	73532	Phytochemical	0.6363636	1.1818181	0.09090909
16	C15 H13 O4 N1	272.09174	272.0921	0.103392184	272.09177	42259	47457	41880	45834	33396	24854	28170	23305	22847	87822	91666	17817	26090	19540	20967	50592	39162	34829	38440	64483	84465	81099	22330	39443	21594	103347	22064	64049	23027	16343	19690	23404	39103	22765	79711	19804	36079	21063	43380	81921	140929	25902	1751	1426	1358	40679	64045	1664	34378	26319	47792	46762	29679	1264	23336	20211	16953	44160	17286	43367	33175	51707	26949	24254	15412	31517	35621	38663	99253	111570	166802	22510	19592	12865	25489	23991	1013	15407	41663	99111	25975	40179	25185	67716	26601	17966	37514	38532	31079	79337	53567	57124	44505	100057	108840	1696	43795	39804	19442	16873	27626	35586	15984	27087	20306	33309	19723	1457	29311	38249	Phytochemical	0.26666668	0.8666667	0.06666667
8	C15 H13 O4 N1	272.09174	272.09216	0.068171516	272.09177	74064	83754	67883	75784	54780	38750	43312	90975	59417	105188	88603	54053	80280	27520	54941	120141	92833	79019	97550	101965	127608	90349	73815	97675	43507	63971	50730	64588	63888	56287	61598	69471	78265	60033	111951	60435	87848	58433	114027	66980	137552	65094	1564	842	894	61713	76465	1009	80466	74045	80264	76333	48435	835	76833	61058	44309	89646	10017	49706	101628	43909	58274	66891	31678	74640	62958	109020	97626	104039	157079	77756	63008	37354	60335	62913	653	46358	94298	69910	68178	32338	23178	42517	50151	32557	96404	74655	59381	224653	42610	47628	176270	69414	88754	1047	80146	79002	44511	71169	63476	84985	46525	51775	22320	98589	37378	627	60737	66618	Phytochemical	0.26666668	0.8666667	0.06666667
14	C15 H13 O4 N1	272.09174	272.09213	0.09441212	272.09177	66647	57446	52904	66126	49125	34964	29000	39394	43817	103726	106293	31037	45355	30047	34968	51324	60109	71765	63813	97645	107008	115804	35226	68789	31548	121029	34430	96235	34982	27279	33489	32654	62150	34966	124681	36274	47710	33591	71006	99690	150747	35702	0	761	1175	58481	92127	1463	38818	34203	60176	49928	39213	1351	40746	22556	25556	69040	25220	51380	49166	61175	53647	43123	19683	52027	37883	67409	91265	138612	207076	30284	31148	20489	41353	35599	887	28426	70917	116939	48689	44188	34406	68977	36275	27555	73345	43320	45310	141531	67500	63790	111946	103729	119136	1825	57673	54950	28571	30746	29817	48314	29864	45395	38225	68474	24119	1222	47337	55962	Phytochemical	0.26666668	0.8666667	0.06666667
18	C15 H13 O4 N1	272.09174	272.09207	0.09572757	272.09177	31881	28887	28094	23380	24583	16285	15772	18602	15375	39817	53660	9127	19411	15393	13447	27842	25569	23053	25778	29649	39223	45823	11361	34558	13310	51190	14966	40727	13938	13104	14083	21876	31736	18651	39181	13229	33315	11903	28356	48680	91434	21822	2357	853	988	26246	41094	1934	20246	16391	24076	28887	23812	1392	11791	8787	12173	31403	13200	23694	30102	32592	21492	16303	9563	22442	19466	33766	57662	48550	90831	16966	12494	9560	14396	15626	1089	13263	28380	62270	19864	25003	18917	35209	14217	13090	25184	26918	17032	55193	31702	32090	44193	45514	54034	1996	26606	32939	14369	15017	14813	26730	11616	22429	14129	26068	11738	1277	19821	15030	Phytochemical	0.26666668	0.8666667	0.06666667
6	C15 H13 O4 N1	272.09174	272.0922	0.10035859	272.09177	43524	42570	36762	40459	37802	28303	17739	39734	45149	77993	71234	26338	38623	18178	26833	46841	38932	51097	61065	59528	90894	48476	32645	33293	16479	33689	21986	44502	28787	24686	28699	30561	51860	27291	82508	24507	41541	29201	54364	36311	79183	35647	1391	514	671	34171	53490	797	38864	34209	44243	38198	36959	615	47774	26755	21500	37624	8923	31904	38828	31534	38426	39365	19609	39436	39665	55377	51557	53970	96133	30440	24721	17608	24478	27210	490	19581	35855	33659	31459	20459	12076	20986	32113	22918	37845	41222	32697	83432	24442	25479	65553	46126	55980	1017	38814	39519	28419	33691	34537	50579	25420	31950	13916	43482	22910	602	23315	42405	Phytochemical	0.26666668	0.8666667	0.06666667
12	C15 H13 O4 N1	272.09174	272.09213	0.07841101	272.09177	35946	42686	45644	46811	34932	25525	28305	32704	36783	90346	81203	19328	32140	22931	25317	49971	54874	50518	63682	67864	81188	75871	31085	41862	22719	105969	20664	64652	24212	23303	25893	31902	44340	27887	100425	23660	41571	25846	63375	74445	123022	31904	1205	905	811	49586	56447	1561	37639	27025	44989	39642	33177	1033	37216	20795	22316	51384	15659	41762	36306	47934	39937	34158	17487	44874	34682	56716	97696	127645	197626	25159	19124	13408	30460	27115	621	20952	48796	57020	35039	37112	24107	45354	28877	20977	54188	37021	30773	115052	43664	41211	74041	73216	81258	1321	43492	52129	23595	23005	26339	43669	20525	31517	20013	43651	21801	708	33787	49100	Phytochemical	0.26666668	0.8666667	0.06666667
10	C15 H13 O4 N1	272.09174	272.09213	0.07321041	272.09177	55378	50370	41467	42271	39646	30828	25075	39051	41628	83204	60238	26727	39195	27082	25115	55498	45832	47886	63099	72771	92705	66810	31296	48884	24435	90724	28886	51802	31762	32136	27994	33234	48517	33017	79584	28892	46781	27057	54987	69355	110159	35231	1803	815	1183	45577	54780	1551	43667	34050	52117	49175	36398	879	46453	29032	20254	52615	9611	42496	56670	33845	41132	39332	23722	43019	35670	58951	111742	119084	172454	32320	27339	19058	38430	29890	686	20707	52910	57548	36586	30659	18172	38299	35511	25959	46832	40628	36698	106693	29669	29698	81018	54699	81665	1404	46657	46759	32016	30006	29408	48782	26894	32669	23344	45031	27393	1092	32998	45379	Phytochemical	0.26666668	0.8666667	0.06666667
4	C15 H13 O4 N1	272.09174	272.09222	0.09576114	272.09177	15266	15514	11288	12307	18312	15160	4481	10108	20418	29235	25023	8003	26072	19500	8904	9845	12689	31881	34516	25362	35821	20729	13459	10396	5008	20502	5628	17040	8526	5967	7014	6172	13066	4435	28973	6541	12636	9409	15153	13712	29534	13355	1036	828	1004	10994	22817	1147	8760	8005	12676	10067	17316	810	25189	18668	12250	9972	3234	9742	11494	10694	16940	19880	7804	22956	12108	12865	28099	25831	45660	4911	5243	5506	5518	6483	609	7380	15951	12423	13350	8495	5764	7992	22719	12657	17765	14423	14324	17689	9890	8376	19276	18586	24266	1718	12253	16176	19786	27276	24320	12346	7584	10232	11263	11644	15581	795	6583	20849	Phytochemical	0.26666668	0.8666667	0.06666667
14	C12 H17 O4 N1 S1	272.0951	272.09552	0.17429061	272.09515	4695	5859	7629	3880	7440	4097	0	0	2721	8943	4534	1207	1944	1591	2020	2712	4615	4085	3886	8404	5889	20290	1387	3767	3613	2813	3487	0	1958	2127	0	0	4584	2674	8598	0	4813	0	5052	14774	14589	2007	0	0	0	10362	11743	0	2740	1137	8575	4953	3110	0	0	2327	1627	4674	7650	13708	0	10508	1467	0	1411	5064	1234	4083	0	3946	3492	2514	2519	0	1209	0	0	941	1455	0	1874	8977	9750	10791	1353	0	1958	4113	2112	5667	30711	38103	5292	14865	27179	0	6956	5639	2150	2307	0	0	0	11897	0	3362	3416	0	2531	1926	Organosulfur	0.33333334	1.4166666	0.083333336
8	C14 H13 O3 N3	272.10297	272.1034	0.12453706	272.103	5188	6320	5811	7386	3568	2935	5068	6800	3500	7869	10955	5016	2351	1439	4365	9644	11646	3612	6180	8957	10009	10110	6527	12257	5854	5052	6889	8999	4701	5028	4751	6065	8359	7037	9087	5927	7926	4298	11307	9240	14651	4979	0	0	0	9749	11475	0	8084	5387	8647	8638	2780	0	1643	1454	3125	7946	2029	4760	9413	5066	3687	1844	2404	2918	4665	12194	4097	7237	7051	6237	5222	3688	6722	5524	0	3890	8986	7749	8384	4855	3723	5452	3434	0	10480	7374	5869	26601	0	6538	21262	9885	8904	0	6727	5540	3536	1369	2477	5768	3953	6708	0	11938	2968	0	9877	2040	Peptide	0.21428572	0.9285714	0.21428572
2	C11 H17 O3 N3 S1	272.10635	272.10684	0.12580901	272.10638	7216	8796	5880	6205	3357	0	4188	12503	5069	2836	1668	11016	2699	78445	5650	4626	23505	2553	5259	1022	2048	4126	10244	6926	3275	0	1720	1507	14301	9599	17027	16098	11477	10804	2347	14110	10494	6926	26148	1357	2334	5051	0	0	0	1631	1002	0	19789	9409	6920	7594	3352	0	1692	3779	2136	12892	595	880	11746	1326	3731	1942	2661	4447	6249	34596	0	728	1772	16970	11353	6278	12804	7644	0	6387	6113	0	6490	0	517	868	2751	2534	5933	6953	8461	13428	3560	2550	8962	1479	0	0	7010	6052	5121	1694	1593	8716	8363	1202	634	12812	2819	0	4884	4986	Peptide	0.27272728	1.5454545	0.27272728
16	C12 H17 O6 N1	272.11285	272.11322	0.120706	272.11288	12090	15940	14305	15875	16165	20628	20309	21383	13141	4637	7083	16012	22317	13894	15031	17854	23220	31181	26131	6284	7860	9619	17656	18665	11182	1909	24613	7330	20746	18104	18069	19212	25512	21313	3281	22265	26026	13687	22084	5016	7936	17526	2846	3190	5083	6051	7672	3480	23665	18440	12554	19394	22832	3466	15881	16275	14379	19898	9886	12097	22702	5273	12581	19668	9706	23286	18004	15303	0	3542	2656	14300	16787	18922	17794	18944	3800	15239	13119	8890	11110	4331	12222	4472	21598	12661	17389	19987	18929	0	14561	19688	0	4224	7849	3896	15278	15147	17797	15068	17944	29254	16269	10698	0	16595	17340	3225	10281	23488	Lipid	0.5	1.4166666	0.083333336
14	C12 H17 O6 N1	272.11285	272.11322	0.08301051	272.11288	52192	55619	44217	51988	69674	72796	44411	56453	64287	25595	24907	32268	102329	47022	50870	56855	60108	120663	86626	34705	33992	51240	45791	44085	46268	11161	44858	19173	67928	56685	52336	66230	94837	65545	37978	65165	79621	40325	56233	28961	33275	60640	5442	2944	3971	33529	29843	3470	55392	41065	45646	47588	72816	3443	96460	57678	36044	77424	26257	29575	57681	18496	63834	71178	33317	69997	60482	54002	0	15821	15603	49963	55718	61770	47076	49472	2736	42094	32122	28824	27065	24419	25825	17359	66310	46600	43717	63835	66588	48026	68566	72454	69786	24793	32755	4608	50775	52429	47733	53367	64856	74457	38646	51039	0	64445	67298	3243	36115	87383	Lipid	0.5	1.4166666	0.083333336
12	C12 H17 O6 N1	272.11285	272.11325	0.04461052	272.11288	121802	139902	137283	129877	177790	143782	95292	131769	183893	82091	63317	79067	211730	84714	122028	158031	128546	295060	305071	129226	136758	135192	122997	109307	103343	25628	87100	69492	185030	122749	120461	160107	192947	145593	120912	156457	183471	109045	151173	94838	109530	143803	6508	3353	3603	85230	76048	3434	156544	98984	126374	123372	171383	3648	274588	142897	94702	166462	93736	96277	140695	75704	172321	177408	74099	182235	139714	130566	47033	60668	58443	109827	123263	141785	118127	120701	2514	94499	82933	67791	59969	59116	78957	49357	141259	119439	116176	120379	147414	105160	159098	184366	146626	70219	105263	4362	132237	152194	132538	120760	149626	186710	85962	119889	47572	124881	194627	2989	73736	273816	Lipid	0.5	1.4166666	0.083333336
4	C11 H17 O5 N3	272.12408	272.1246	0.089023545	272.1241	19261	21503	19908	18205	17781	10811	9878	16628	21308	7545	8024	15003	29316	6453	14945	22142	40006	31760	33905	9491	12458	39584	19137	19372	10212	1146	9967	6302	14476	14214	16971	16885	23051	15352	12991	16274	20410	16184	89240	8627	12644	19561	0	0	0	8384	11399	0	16652	16495	20748	16335	18645	0	26206	18400	15161	24027	14145	31555	22040	6042	31034	21636	15793	27148	19749	36277	2936	2482	2307	15485	14884	16449	9747	14814	0	13643	19171	14631	12713	6411	8640	2124	24751	18284	18512	24752	22657	80032	17722	24202	81041	9624	6687	0	17512	19436	16617	18976	17031	20979	15005	18337	7742	31689	15689	0	13072	37954	Peptide	0.45454547	1.5454545	0.27272728
6	C11 H17 O5 N3	272.12408	272.12454	0.046120606	272.1241	16152	17656	16097	16296	12822	10224	11809	18422	12137	3760	6665	14878	13624	8225	16063	29510	24026	18858	20020	5683	6861	19728	17261	24777	9150	0	11032	6387	16685	14945	15857	19734	22834	19471	7421	17438	20028	14887	33386	3613	4833	12035	0	0	0	7730	7709	0	22899	14720	16955	14824	12830	0	11878	6155	8347	29213	6186	8453	24587	2401	11215	8768	10588	14491	13925	35605	0	1916	2807	18527	16975	16000	16471	15495	0	10415	13643	10930	11476	4185	4409	0	9455	8073	22704	17206	18106	57485	12352	15052	52999	6084	2482	0	14950	14242	7062	7778	7910	24625	12437	6806	0	25330	10616	0	13025	20689	Peptide	0.45454547	1.5454545	0.27272728
2	C11 H17 O5 N3	272.12408	272.1246	0.047436353	272.1241	51918	49282	45107	48465	71910	45054	23357	44306	81244	23785	27075	37492	123879	27276	36041	18017	62756	99823	98418	24891	42708	67712	42559	40124	16350	2437	6162	15301	44006	26808	45457	37192	76930	40451	41572	31194	51155	31997	74148	28196	38750	55816	322	0	0	20058	27127	0	44007	27048	52722	52513	67715	0	99720	44858	37528	62373	20889	30002	25172	16932	137774	87846	44290	104602	71975	74992	8809	11573	15436	39026	42520	28868	10125	33515	0	27590	31652	20390	28670	13860	13540	7456	55680	33250	37271	75646	73435	111092	35337	47825	111108	24981	9834	0	46873	46336	43697	51056	44955	43765	35319	28107	18099	74392	43458	0	26511	161367	Peptide	0.45454547	1.5454545	0.27272728
8	C11 H17 O5 N3	272.12408	272.12448	-0.015704215	272.12408	10757	9654	7621	9358	5166	4828	9012	9883	4246	1594	1512	9115	5474	2999	10332	20691	17265	9996	9055	1881	2260	12029	11317	16783	8481	0	6225	4131	10794	8152	9626	9779	11623	10522	3054	10625	12848	8388	26321	0	1731	7094	0	0	0	3177	3155	0	13798	9056	10609	8497	7133	0	8470	2595	3286	17075	3224	2313	18667	0	5224	6400	6304	6210	5963	26081	0	1101	0	9139	8720	10691	12686	11167	0	7237	13235	7036	7089	2777	1892	0	4369	5911	18206	7647	7324	31750	0	0	26297	2497	1419	0	10143	8788	3536	4997	3131	10603	7609	2692	0	16361	4918	0	9513	8939	Peptide	0.45454547	1.5454545	0.27272728
6	C16 H17 O3 N1	272.1281	272.12854	0.010609566	272.1281	32523	31912	27724	30324	17935	16602	17871	30411	13938	80054	50110	14183	13807	16491	16658	36342	27598	20711	30653	85890	88685	31035	18038	35476	21601	120790	18159	51904	27165	21838	22036	31311	34978	24780	73623	22919	34287	15683	37458	36334	50303	16281	792	334	602	35073	36051	467	35116	22064	32358	32575	19418	420	16203	10264	10159	33976	2416	13536	39644	22638	16894	11500	7731	20766	23987	43019	70673	115642	156286	22443	20404	15315	19906	19191	447	12858	21929	33290	17754	10308	7016	36520	10694	8826	29318	22472	21145	65587	37329	14989	49935	35491	64346	545	30775	27351	10162	7900	12042	32647	14395	19493	15120	29066	9255	356	21483	17709	Phytochemical	0.1875	1.0625	0.0625
12	C16 H17 O3 N1	272.1281	272.1285	0.08971199	272.12814	18333	25385	20916	18152	8876	8229	13723	16370	6503	52854	48048	5344	4418	9022	7678	23656	17420	13096	13212	60077	74384	27737	10205	23675	13254	88085	12901	39503	13322	13025	12512	12877	16775	13183	58710	10003	20375	8814	21748	44676	61552	8876	516	562	734	18698	27468	676	17660	8893	21183	24154	11368	667	5985	3821	5622	19794	4695	12359	0	21447	10113	5902	5079	9414	10577	18502	65264	87260	113886	10195	11102	10493	17641	14289	591	8366	14708	21402	8745	12954	9380	30746	6203	5854	19170	11853	8648	35445	23641	17942	20437	29942	45536	807	22401	18932	8389	4847	5853	17181	6606	16120	0	16750	6470	708	11354	6195	Phytochemical	0.1875	1.0625	0.0625
10	C16 H17 O3 N1	272.1281	272.12848	0.014673147	272.1281	24446	21904	24022	18899	10818	11360	8852	16173	8670	83240	67253	9224	10606	11235	10365	26124	15121	10910	17910	85531	90815	27163	10172	21784	12316	91882	14714	62931	14994	12044	13070	13033	21409	11138	78251	10678	21675	10712	23185	49687	54602	11335	1218	0	632	22537	24898	683	17358	13501	26792	26025	15916	477	11446	5006	6265	27426	4172	10054	18888	17707	10133	9255	5879	11608	13464	22649	72322	98331	128394	8871	11288	9662	13789	14721	0	6616	17390	26059	13717	10347	7617	34580	9813	5213	17342	12324	12617	34541	21554	10968	29789	31832	55561	591	20186	21506	8853	5323	6737	19843	10904	10747	0	18924	7835	608	11831	11710	Phytochemical	0.1875	1.0625	0.0625
2	C16 H17 O3 N1	272.1281	272.1286	0.008840336	272.1281	8416	8433	8556	9149	4731	0	6169	11988	4786	17371	10978	6866	3824	4999	7551	10001	10150	7637	8026	18804	21735	9241	7676	9840	5032	25829	5831	9862	10492	9262	8400	11668	11771	6752	20436	10130	9586	5856	10199	14164	15694	5349	465	439	454	8364	10829	523	11943	8633	9974	9380	4922	355	5957	3007	3642	11097	1124	3594	8832	7493	4416	4458	0	5178	6321	13041	19973	25997	31839	9380	9816	8352	11685	8949	323	5502	8701	9230	7196	4127	3367	10422	3155	3507	7374	6604	6487	13259	7685	6320	13071	8881	16197	719	9194	9589	3519	3044	3223	11492	5352	9736	5308	8827	2587	456	6557	4559	Phytochemical	0.1875	1.0625	0.0625
14	C16 H17 O3 N1	272.1281	272.12848	0.04276263	272.12814	29156	25241	24347	27765	17921	11628	15730	16288	12860	62785	44452	11606	7227	9998	13656	22353	19483	17344	23053	56222	70446	28825	13437	28673	12374	100022	14807	55217	14783	14962	17272	16530	23171	19785	48808	18740	19483	14869	24692	51112	67900	14831	0	648	835	21083	38324	873	18702	14716	24291	23976	17643	581	12552	8615	8677	22764	7679	25819	26193	29165	8461	12710	7937	9442	17408	29297	75743	98097	161133	12896	18728	11304	18458	15888	544	11448	20723	41590	15141	17472	17131	45332	9812	7554	21863	18980	20615	44790	36018	22979	38130	32387	53627	1021	25806	22268	9767	9648	8173	18070	11539	24143	0	21608	8529	751	15899	11451	Phytochemical	0.1875	1.0625	0.0625
18	C16 H17 O3 N1	272.1281	272.12845	0.10203815	272.12814	25784	30717	31431	23227	17230	11743	12445	15404	7229	64415	76092	10884	8700	11306	12277	26393	29005	12410	18231	56812	78107	43453	10222	23092	13099	115630	11039	76963	13883	12241	16008	18864	26970	18261	57821	17980	25203	11369	29016	72249	116172	14082	1960	858	1282	31425	41078	1008	17547	14060	29641	28732	11269	1271	10808	4893	7983	25715	11414	33299	21554	44908	11321	5846	5830	13196	17349	31815	107281	106729	166063	17050	11497	9968	11561	21174	1304	8325	19878	53742	12945	22349	15400	55770	7963	6542	19449	19870	17034	46211	32307	39337	33123	51653	62151	1192	32460	26236	10534	7129	9688	23411	10746	24556	15901	21909	9499	1085	15693	7886	Phytochemical	0.1875	1.0625	0.0625
8	C16 H17 O3 N1	272.1281	272.12854	0.039526824	272.12814	26995	32757	22633	28288	14055	12734	12017	15452	11743	86308	61444	12166	13166	12856	11097	27916	18563	14985	17772	104190	97394	32281	11879	29462	14924	105139	11386	64543	15929	11921	13582	16858	25641	14882	93274	11771	19511	11383	24774	45178	51259	12175	965	429	563	20404	35788	451	24680	14498	23380	23163	14230	578	11442	7996	8878	22370	1944	9430	22786	19289	12815	10324	9656	17856	13787	26574	70433	106141	127389	14289	13393	9322	15190	14994	360	9048	21044	32695	13505	8956	5449	38503	9861	6123	20102	15785	14021	51957	36477	9494	43937	32402	56447	578	22589	25531	9517	8976	7076	20085	11038	17285	11687	20939	8973	488	14887	12377	Phytochemical	0.1875	1.0625	0.0625
16	C16 H17 O3 N1	272.1281	272.12848	0.1090414	272.12814	24989	26673	28975	27582	17013	11717	12908	18506	13347	61614	56408	11666	10602	12810	12221	26958	28044	15020	17248	79700	73182	41539	12670	25887	16946	133278	13262	62355	11095	15867	15794	21347	25601	13835	54727	16415	22628	11789	28683	61281	92428	14381	1155	779	1093	26967	45056	1394	24763	19436	29369	27362	17730	1077	9847	7511	10128	27170	9986	32694	22749	33782	12347	7674	7873	16534	14121	30684	107472	126200	179624	16016	18429	9622	19772	16627	672	8036	15781	50996	14366	29357	18600	53256	8819	8673	22550	18028	14301	47730	29377	36262	43848	42683	61382	737	29879	23519	13528	9525	11226	28594	12155	21871	15194	28937	10538	785	19362	14774	Phytochemical	0.1875	1.0625	0.0625
18	C13 H21 O5 N1	272.14926	272.1496	0.06518286	272.14926	19666	19719	25307	23824	36225	27224	42880	26617	25332	9168	12375	20407	48118	34252	30619	40461	45319	44972	43900	18510	13371	14917	21818	21249	28096	5001	36737	14302	44830	33049	28574	31806	44273	34642	9880	36455	43195	30541	38577	5548	13386	27723	7767	2782	4263	10206	12283	2564	33915	23281	25491	22637	26790	4187	39006	49322	25278	42060	10532	14376	34302	5827	27390	27140	30246	38613	31090	31575	4102	3166	4904	24290	30697	38848	30992	29242	2785	18260	26845	19661	12125	8766	13316	9277	34111	37191	31035	22929	26812	20701	29691	32075	26880	7873	12691	6757	22499	32991	21214	48715	62893	53188	19521	27806	6060	22254	35336	2706	34411	23942	Lipid	0.3846154	1.6153846	0.07692308
16	C13 H21 O5 N1	272.14926	272.1496	0.06597021	272.14926	76891	72812	71577	69860	103335	83768	109659	77350	74531	63920	42451	56058	124778	116955	77687	107429	123039	162011	152714	93004	74506	53963	56555	58612	76304	32444	94688	48170	123337	100841	78938	105583	122436	111931	56169	122951	122051	46986	99345	45887	41348	101428	9438	2973	4443	52311	45233	3203	98309	76302	72026	76004	104562	4630	100761	85650	60323	107341	49684	53081	97807	30797	66693	75042	68345	97433	109175	92716	20491	25587	23223	67521	94179	117856	99337	93466	3791	50496	49984	65904	38512	40083	85890	72479	102165	67093	85587	89217	80854	68346	108133	121546	64005	37536	64414	7366	68789	92894	66347	71236	113056	144525	53420	78250	31304	77936	95888	2981	58940	93175	Lipid	0.3846154	1.6153846	0.07692308
8	C14 H17 O1 N5	272.15057	272.15094	0.05752214	272.1506	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2333	0	0	0	0	0	0	0	0	812	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5376	29564	0	0	2961	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.071428575	1.2142857	0.35714287
8	C12 H21 O4 N3	272.1605	272.16086	0.056173027	272.1605	6300	4849	4328	5121	1840	2863	4588	6358	1917	2382	1723	2914	3401	1330	5579	9658	4892	2924	5244	1881	1332	6526	3930	6497	6422	604	4828	7693	5849	5430	4221	8661	8308	6006	4327	6144	8161	3843	6715	4248	1503	3971	0	0	0	3381	3672	0	7301	5219	4326	5387	3441	0	3964	1188	2278	11442	0	1363	7407	0	2020	2962	0	4887	6004	6578	0	1206	0	4986	4907	4922	3982	5369	0	2711	5615	12254	2769	1975	2538	1020	1755	0	7492	2982	3363	10758	35240	14191	15033	3527	2041	0	6730	4658	1630	983	0	7442	3066	4185	0	7386	1935	0	6388	3825	Peptide	0.33333334	1.75	0.25
4	C12 H21 O4 N3	272.1605	272.16098	0.03333652	272.1605	25725	27323	24045	25384	13523	20591	22156	30986	18096	16352	8574	15767	20307	9530	29848	35691	27443	29665	30576	21102	14401	34035	22920	29380	28322	3023	19127	17222	33078	20136	31005	33651	43414	24655	28943	31213	37213	25476	36111	16653	9836	22670	0	0	0	18551	13281	0	35393	21436	26560	21740	21109	0	28192	8289	14070	40086	14104	8068	33293	8096	18836	19138	9380	22824	20160	30317	3441	13699	7057	20425	19995	23377	20400	22617	0	20109	17491	39089	15023	9977	12748	6655	12098	18016	23497	16906	19191	29772	97709	68603	67462	12734	16064	0	22893	27309	8955	7865	9189	35683	19240	27632	10017	40270	11698	0	17281	31252	Peptide	0.33333334	1.75	0.25
12	C12 H21 O4 N3	272.1605	272.16052	-0.02245408	272.16046	0	0	0	1379	0	0	0	1541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1315	1328	0	1743	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1989	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	851	0	0	0	0	0	0	0	44015	31010	0	0	0	0	1924	0	0	0	0	0	0	0	0	0	0	0	1016	0	Peptide	0.33333334	1.75	0.25
10	C12 H21 O4 N3	272.1605	272.16077	-0.061255027	272.16046	1233	2273	2055	2351	989	0	1346	2024	1094	0	3427	849	1180	0	2457	3902	2719	1346	1971	0	0	3569	898	3253	3717	0	2601	43429	4298	1362	1689	2532	4225	3023	0	2192	4717	2133	3442	0	0	1430	0	0	0	0	0	0	4383	1457	1674	1552	1541	0	0	0	0	5362	0	0	0	0	0	0	0	0	1252	3595	0	0	0	1691	3063	1261	2576	2033	0	1011	1336	10827	2667	811	821	0	0	0	3897	1795	1399	8205	21713	6756	7033	1933	0	0	2440	1474	0	0	1119	3632	2122	0	0	3648	0	0	3810	1767	Peptide	0.33333334	1.75	0.25
6	C12 H21 O4 N3	272.1605	272.16092	0.03352723	272.1605	17094	19448	17378	17906	10033	11359	13979	17862	12602	11657	7861	8490	14744	6935	14221	20466	9948	16334	31131	9804	9755	20895	9894	21687	13303	1049	14144	21502	17545	11503	14588	21763	28312	17288	17350	13994	26861	14509	12852	8231	6361	12176	0	0	0	11289	5353	0	17040	12268	18384	19991	12736	0	15779	4994	9851	26207	5091	2463	20079	5504	12598	7872	5648	14821	12688	15807	1680	10995	5711	13108	14392	11340	13986	14718	0	10188	9172	22249	7896	5514	5778	3298	6130	7874	16421	10402	13766	28662	94395	43625	44650	8505	7547	0	17301	13453	7914	6580	7518	24836	10526	12313	0	21576	8833	0	10638	27079	Peptide	0.33333334	1.75	0.25
22	C17 H21 O2 N1	272.16452	272.1648	0.08089667	272.16452	4485	3786	2898	2797	3400	1133	1213	4437	1237	6840	11618	2653	0	0	2953	5774	4729	0	0	3004	9588	3031	2321	4441	4705	42028	1079	9911	3812	2782	3549	0	4506	3544	2639	6007	2525	1854	6783	5713	22384	2452	0	0	0	9766	15332	0	3305	2795	3660	5814	4156	0	0	0	0	4602	2457	5778	4209	8235	0	0	0	1387	3105	5160	31453	17780	45629	3563	3168	2093	0	2432	0	1256	3847	11566	2559	7465	3462	10834	2102	0	2646	3326	1489	9185	6167	6484	2839	11595	7142	0	1642	2695	1598	2773	0	3398	2213	4032	5680	3403	2057	0	4634	2295	Phytochemical	0.11764706	1.2352941	0.05882353
18	C17 H21 O2 N1	272.16452	272.16483	0.08849072	272.16452	2802	4654	7450	5315	1366	2318	3614	3473	0	18430	15326	0	0	1646	0	6693	8303	0	0	15459	22391	4124	1287	4388	0	54774	2439	20709	4491	2025	2659	3534	4906	0	12491	5013	2835	1270	8006	21266	43040	2433	314	0	0	6598	11482	0	5441	1849	6957	5963	1442	0	1572	0	1994	3774	3000	6943	5021	8818	0	1444	2413	2689	1977	8433	46663	43744	65148	3247	2682	3300	5751	0	0	1774	4252	13830	2862	5782	2444	16397	0	1404	3564	3866	2693	16764	8576	6472	5105	10713	9070	0	4422	7304	1416	0	0	4240	3038	5209	3058	4104	0	0	3217	0	Phytochemical	0.11764706	1.2352941	0.05882353
4	C17 H21 O2 N1	272.16452	272.16498	0.015790908	272.16452	14885	17006	18734	17216	1172	4736	11975	43263	1327	20993	11713	16246	614	2180	13896	34903	28956	4254	5952	28929	31220	7507	12379	31505	13555	19447	17399	13780	26326	20245	26069	34302	29232	40754	24759	29843	26919	14207	30806	14723	5586	9326	0	0	0	10062	8529	0	43615	39291	18069	15895	5559	0	2231	0	3496	30172	0	658	32511	6136	732	1459	3348	3876	8570	43840	9248	16297	19431	37974	34259	30720	44275	22951	0	16256	11452	9078	13213	695	1106	12706	777	1746	10747	10468	9564	30953	15356	1437	29992	8612	23178	0	14739	18851	1606	458	0	28631	14485	13536	4713	23057	655	0	12213	740	Phytochemical	0.11764706	1.2352941	0.05882353
16	C17 H21 O2 N1	272.16452	272.16483	0.08493714	272.16452	2227	5112	5456	3626	1827	0	1306	5716	1973	5821	6531	2927	0	0	2324	6320	3388	0	3385	13019	13333	3001	0	2076	2258	22951	2285	7445	3035	2355	3206	0	5129	2213	5594	1798	3575	1673	6405	6752	13526	3462	0	0	0	1323	4964	0	6020	5729	3098	5304	2047	0	0	0	2080	3273	0	2657	0	2480	0	0	1987	0	1901	6978	17759	20974	33654	4431	0	2068	3059	1441	0	2624	2252	6594	2053	1684	1194	6041	2824	0	3854	4190	2505	38869	0	0	0	4371	7517	0	3326	2673	0	0	1606	4583	3323	1834	0	0	0	0	4012	0	Phytochemical	0.11764706	1.2352941	0.05882353
8	C17 H21 O2 N1	272.16452	272.16492	0.03556931	272.16452	21336	18245	17193	17320	2564	5819	6303	14258	1515	65972	59067	9133	0	4517	6802	20391	14664	1974	5698	66718	76625	11450	8035	16816	5946	48857	10498	56801	17292	13437	13926	18094	21644	21512	64099	13266	23747	9270	14500	37313	9621	5453	0	0	0	12360	19422	0	19303	12781	16449	18139	4799	0	903	746	2497	17758	0	777	14016	31074	1094	1726	4172	2789	7817	25538	27529	56492	56203	21973	15531	10482	19808	14955	0	9981	7579	15288	6700	716	1345	96994	0	0	6849	6977	6393	22494	30141	0	20855	22887	63328	0	17864	14797	1783	0	0	18960	8814	9455	9161	15881	0	0	7026	998	Phytochemical	0.11764706	1.2352941	0.05882353
10	C17 H21 O2 N1	272.16452	272.1649	0.023132514	272.16452	18096	15548	17526	12581	2648	5243	6995	23699	2396	47294	32400	10398	0	2263	8506	21453	19396	3483	5543	60526	61670	3581	9362	16402	9106	65341	12305	37098	26098	24739	18468	22032	23296	22669	45453	25466	23056	10179	21406	23959	14648	5780	0	0	0	11101	17181	0	22842	17467	15123	15281	4947	0	1700	1019	1994	15656	0	4438	22408	7315	0	1089	2744	2886	10096	24991	41952	61862	69245	22102	17352	18924	19100	19306	0	9836	6332	14540	7327	1423	784	20689	0	1601	7558	7455	7290	17145	22528	0	16371	14327	33039	0	15484	15565	1380	0	0	23870	10902	8555	0	13042	0	0	7186	2295	Phytochemical	0.11764706	1.2352941	0.05882353
6	C17 H21 O2 N1	272.16452	272.16492	-0.009355823	272.1645	22146	23584	20790	22542	2111	7719	13012	33783	2359	56799	29695	30422	0	3112	14440	37686	23543	4870	9674	94221	74265	7324	11642	32395	18447	54185	19257	34322	34749	33290	32371	40401	39545	43698	55635	39284	40158	14347	30710	23020	6859	10038	0	0	0	12226	16966	0	52228	33126	23182	20918	6475	0	1882	852	3689	29613	0	694	33480	16681	1371	2149	4922	4622	12556	42681	27929	51538	60877	43936	41186	36859	46627	35347	0	25538	10506	21650	9913	800	1111	36085	757	1444	12017	12642	12587	32648	26669	1984	78321	14796	44600	0	22496	20229	2173	0	522	40718	26801	16735	0	53768	751	0	12555	2042	Phytochemical	0.11764706	1.2352941	0.05882353
2	C17 H21 O2 N1	272.16452	272.16498	-0.061260004	272.1645	27826	28010	25181	25016	362	0	21487	49285	469	12343	6766	17636	0	484	17905	70418	73496	1739	2909	21153	15915	5201	8780	28701	29363	4902	35496	4951	63781	28535	29395	73948	57274	60179	12061	62615	66207	13440	72875	10356	4537	51187	0	0	0	5989	6180	0	156453	51157	23998	25880	2825	0	846	0	2648	42366	0	342	55449	4282	0	595	0	1804	41216	135741	3230	6190	9301	24484	24123	26313	235652	23790	0	20713	10384	6620	11840	0	1339	9873	338	2264	7374	5484	8540	15508	10287	1435	30318	4128	14551	0	22837	26737	544	250	0	83803	13928	17649	2649	16632	323	0	14429	0	Phytochemical	0.11764706	1.2352941	0.05882353
14	C17 H21 O2 N1	272.16452	272.16483	-0.015484912	272.1645	15898	12591	15616	16136	1340	1327	3822	4748	1487	14414	11357	1925	0	0	1825	5427	7850	1686	0	19072	17882	0	2296	2925	0	30018	8009	9636	2269	4351	3228	16254	90534	7633	17184	4674	31078	2727	79989	7957	10245	1923	0	0	0	3611	4435	0	6786	0	11875	14071	2437	0	0	0	2266	27665	0	0	0	1907	0	0	1966	1648	1230	157703	0	26183	39511	2940	3942	2092	9652	8575	0	1928	2058	0	2024	0	0	12405	0	0	8530	21011	15195	33023	7283	2475	9911	4564	9391	0	13795	6655	1282	0	0	12154	2064	2205	0	9062	1451	0	3696	0	Phytochemical	0.11764706	1.2352941	0.05882353
20	C17 H21 O2 N1	272.16452	272.1648	0.09534556	272.16452	6373	7794	8175	7492	2945	3763	1784	2374	0	11734	21999	1006	0	2746	1561	6890	8566	2025	2088	17586	25159	7582	2350	6007	2621	69862	2921	26694	2599	3337	2334	4572	4867	5289	13982	4659	6901	1729	7455	18620	50776	2139	0	0	0	10591	24586	0	5456	4471	8744	10272	3165	0	0	0	1685	7790	1584	11948	3685	13478	0	0	2935	0	5280	5069	55164	51181	96068	2639	6041	2432	3906	6516	0	3328	3646	24246	2497	9412	6002	24418	0	0	4279	3541	4216	10940	6843	8669	5612	13711	14388	0	9085	8455	1549	1781	2441	7560	3036	10829	9061	4108	1305	0	3277	0	Phytochemical	0.11764706	1.2352941	0.05882353
12	C17 H21 O2 N1	272.16452	272.1649	0.039490376	272.16452	13394	13023	12284	10120	0	3737	13824	13744	2029	34597	24861	7395	0	1881	5068	27965	196990	1690	4013	49266	47553	0	2754	9931	9892	46356	25441	27634	21559	14703	10903	39914	63625	65489	29343	33783	104823	5548	163711	20349	11192	5001	393	0	0	7323	20217	0	34038	6646	16227	12787	3806	0	0	0	2504	22835	0	0	0	2356	1108	1908	1883	1481	5748	78664	20622	52736	63380	11172	17750	11666	90491	15066	0	6408	2659	0	3949	1352	907	14992	1120	1836	3072	25815	13002	15308	21306	2227	17374	8455	26691	0	14441	24373	1711	0	1681	106371	5628	4869	0	33276	0	0	6764	0	Phytochemical	0.11764706	1.2352941	0.05882353
0	C11 H21 O3 N5	272.17172	272.17212	0.013907519	272.17172	0	0	0	0	1005	0	0	0	0	0	0	0	0	0	0	0	1331	0	940	0	746	0	0	0	0	0	0	11074	2043	0	2045	0	4469	0	0	0	2200	710	1844	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	392	0	0	0	0	0	0	0	0	0	729	0	0	1525	0	0	0	0	0	0	0	0	0	0	0	71447	0	0	0	0	0	0	1431	0	0	1743	22480	5808	1548	3888	0	0	0	0	833	0	0	0	0	0	0	2428	0	0	0	0	Peptide	0.27272728	1.9090909	0.45454547
8	C14 H25 O4 N1	272.18564	272.18604	0.016839705	272.18564	16041	14439	13572	17813	12871	8709	13578	16054	9667	14151	7669	13426	15444	8964	13359	19546	15934	11530	16354	15201	13709	16153	10481	9760	13063	7867	14924	6257	14337	18512	15111	21633	25116	15705	20237	19548	21763	11046	19939	10409	8722	7864	0	0	276	9989	9366	0	24551	15681	13563	15636	10508	0	10505	6322	6622	23355	1293	4211	20455	5075	9695	7080	12192	11798	9861	20435	6935	13589	11644	16081	21810	25262	14770	19156	0	16031	13703	7142	6572	3903	4191	6227	7368	5169	28730	8116	8159	39408	32148	30494	24383	6888	12168	0	20072	14693	6826	8665	10623	20582	14026	13907	0	13356	6708	0	10558	11874	Lipid	0.2857143	1.7857143	0.071428575
18	C14 H25 O4 N1	272.18564	272.18597	0.05909968	272.18564	17075	15367	17467	18161	14614	17161	36532	14231	7213	6295	11032	12880	15906	28278	13552	27378	52343	20614	15426	21730	10829	9168	13517	12743	15713	5005	31471	17533	23200	24845	11929	22079	28177	21062	10572	23567	20104	12829	42959	4750	5161	20595	7445	1294	2624	11814	9723	2058	24813	19756	17215	14911	12226	7306	9860	9401	11674	28055	4017	17789	28890	4680	12042	4968	19865	23846	21618	38306	3184	2681	3697	15889	20204	26615	40836	23223	2139	6000	12927	34752	8031	13738	19884	18887	16245	16436	23869	21931	15890	26981	41135	33475	19650	10197	15960	2797	16212	20351	10597	14941	25772	33510	10500	17388	14904	16021	9668	1749	17832	12360	Lipid	0.2857143	1.7857143	0.071428575
22	C14 H25 O4 N1	272.18564	272.18594	0.065070465	272.18564	7681	10134	9792	8354	25130	17496	11349	10613	8559	2567	6735	7455	11485	153080	9527	15658	16480	26537	17525	6174	12765	1433	8443	6081	11928	1816	18188	7499	11127	10511	8256	13062	10437	12286	2933	17617	13593	6114	13752	6856	8805	18402	10676	0	4876	5743	7038	0	10394	9273	9453	7669	18854	5111	14114	11340	13775	12672	4714	8907	15782	3439	19134	9764	31397	23699	47482	11406	1760	2617	3054	7283	11541	13105	14150	12832	6103	5428	5853	17745	3269	8634	7396	4167	12471	15269	12680	11490	15308	8557	26280	15016	6010	5100	6623	4504	10712	11625	17271	11419	14485	11963	4303	10531	9856	6510	17379	0	6520	9999	Lipid	0.2857143	1.7857143	0.071428575
16	C14 H25 O4 N1	272.18564	272.18597	0.04413316	272.18564	15721	17775	15089	17612	14452	21041	68325	17438	4372	11848	10599	10330	13051	40297	23011	31918	43875	15933	17052	16116	16291	4970	7446	19919	16063	26985	73455	17485	18920	17399	11320	24007	19443	20387	10463	20702	18359	29940	36698	3726	7722	19328	6425	444	838	7013	11294	657	20451	21504	19450	17570	10510	4782	5014	10834	10851	24334	2442	16676	22519	2362	23194	5556	25484	25730	33520	33902	6530	3350	3171	14805	18130	29330	31310	24015	956	10014	11133	26621	8995	12914	87209	139998	13396	18342	24195	22783	14857	28484	29432	20748	0	7249	15865	1431	20567	23421	13942	8512	19468	26357	5825	12672	8745	13999	14987	712	12453	17149	Lipid	0.2857143	1.7857143	0.071428575
6	C14 H25 O4 N1	272.18564	272.18607	0.01912647	272.18564	48077	49767	43109	50695	34731	17753	67297	69698	24599	33722	15249	33150	35897	20625	60484	72406	24154	29535	44542	30363	26707	43478	36079	105684	39594	9190	65403	14916	61917	60873	74816	69692	132931	47842	48456	56018	108480	51998	31121	17920	12042	17876	0	0	0	33079	15705	0	72313	55408	51399	50083	29132	0	25766	13694	15977	85593	5418	7246	77562	7014	24524	17604	16283	40132	24253	38548	9003	25333	17683	65363	46483	68243	26228	50845	0	55671	33649	16425	32128	10427	9781	10082	19166	22514	62000	20056	25870	60649	63374	37454	78540	16831	26335	0	46491	37723	14961	17261	22818	94891	49698	30288	8191	57141	20561	0	32995	34067	Lipid	0.2857143	1.7857143	0.071428575
14	C14 H25 O4 N1	272.18564	272.186	0.05626374	272.18564	6198	7554	8232	8682	8537	6811	15208	10082	4517	3424	3034	3963	5572	13200	10136	14718	33829	6425	11792	7643	8661	0	7286	3993	14106	7373	14484	0	15435	14679	6528	10472	12617	11068	10715	17808	10893	7846	23089	2327	4678	10149	3838	551	364	4796	7520	879	7169	7133	8126	7074	6213	729	6752	8650	3243	11939	0	7900	0	0	5425	3589	9221	11722	12639	18589	0	3588	5189	7317	8462	11557	16269	9555	525	3805	12280	0	5066	5812	17009	21268	11074	9304	20037	6734	6651	22428	22774	11937	8570	8193	6716	532	6876	10420	6801	8379	20388	15367	4755	4495	0	8573	11274	423	10691	3563	Lipid	0.2857143	1.7857143	0.071428575
10	C14 H25 O4 N1	272.18564	272.186	0.031331044	272.18564	13901	15683	15921	11837	7326	7191	23142	8820	4682	21802	5849	8015	10296	198407	6510	14829	32776	7638	12091	16682	15529	13653	6092	9830	7635	5623	26851	8109	14635	14170	6675	15724	22967	15746	19738	15744	19868	6892	37230	8376	4571	5999	0	0	0	9381	9771	0	12657	9741	18394	19976	5310	0	7233	6473	4697	22952	0	3183	32820	7703	25547	3566	99299	8674	8797	36790	21504	74168	16389	6436	10489	13654	15916	12680	0	8072	5673	0	4118	8820	3809	6871	6051	8865	11391	54177	8413	14988	29154	16022	20442	6184	19838	0	12390	17393	7461	5034	6313	15385	7385	14628	0	11771	5834	0	6404	16575	Lipid	0.2857143	1.7857143	0.071428575
20	C14 H25 O4 N1	272.18564	272.18594	0.09290315	272.18567	45372	45297	45728	41104	36031	62780	42655	48619	12611	18135	20470	32361	39600	1318851	24298	46960	44652	45730	43737	32255	25932	12844	19230	33144	19441	10139	87132	24169	42819	44263	30427	41572	35155	38819	16767	46010	41054	13364	34115	16627	35978	43070	148451	28325	17639	48569	40850	35561	36830	46041	44821	46074	39566	56279	17929	38957	25442	39243	14817	41305	65587	13225	210775	9679	1188348	57127	169928	45150	23719	13206	15874	36025	45769	56994	63107	34814	65262	17450	16028	61173	10207	32704	29017	24449	21963	20874	37102	64387	56239	39208	48687	38274	29535	18354	32517	117166	46713	66919	40079	27111	41521	41166	15699	38130	36324	33605	26235	16031	18682	30591	Lipid	0.2857143	1.7857143	0.071428575
8	C13 H25 O3 N3	272.19687	272.19724	0.086679645	272.1969	1744	1252	0	1679	677	2541	1533	2371	0	0	0	0	0	0	1507	2511	5925	1139	1206	0	0	0	0	1236	1139	0	1659	8036	46752	1674	4095	2877	3118	1930	0	0	4031	1182	6878	0	0	1444	0	0	0	0	0	0	3194	2394	1917	0	1090	0	0	740	999	2362	0	0	0	0	0	0	4965	858	977	6920	0	0	0	1263	1613	2095	4367	2285	0	884	1237	8235	0	0	0	0	2149	15634	0	1219	941	1586	19115	0	1839	0	1096	0	0	2203	0	707	3603	2589	1126	0	0	0	4689	0	776	0	Peptide	0.23076923	1.9230769	0.23076923
6	C13 H25 O3 N3	272.19687	272.19727	0.008454079	272.19687	3825	5326	5334	4122	2327	6380	2593	3643	932	1173	1424	2470	8112	3312	1109	6116	19295	1574	2168	0	606	1783	1035	3190	2320	0	3383	9605	7155	3434	4998	9146	16364	5903	1141	7296	13797	1521	20151	0	607	2360	0	0	0	0	0	0	8207	2111	3675	3214	2548	0	0	3783	693	8716	0	0	9815	0	2541	0	1442	4116	2259	21538	0	0	0	4321	7982	4026	7313	5656	0	2815	1212	8486	606	0	0	0	567	1799	1910	8859	3998	3137	17578	2051	3233	757	0	0	3019	4786	922	1545	2464	15193	2195	0	0	5091	2287	0	1884	827	Peptide	0.23076923	1.9230769	0.23076923
2	C13 H25 O3 N3	272.19687	272.19733	-0.014905944	272.19687	4650	5659	4936	4340	1490	0	35931	5372	492	1381	5122	5952	2957	265	8475	4258	17287	1788	1789	859	596	3366	2714	3912	4680	0	2417	3427	5891	4130	4210	4278	6857	8701	865	5763	5331	14501	20471	910	0	0	0	0	0	1190	947	0	4386	3570	4248	3815	1901	0	815	468	848	4595	0	434	4707	306	617	774	0	4603	1256	21714	0	575	612	0	7708	9335	4322	8633	0	4248	4605	5024	2968	0	402	640	1091	1983	6564	2937	1818	21396	13933	6847	14495	943	1099	0	4705	5430	597	397	707	4134	4631	1546	197	5687	560	0	8281	1491	Peptide	0.23076923	1.9230769	0.23076923
14	C18 H25 O1 N1	272.2009	272.20126	0.25351226	272.20096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3268	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1496	0	0	0	0	0	0	0	0	0	0	0	1811	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2203	34819	0	0	2850	0	0	0	0	0	0	0	0	Lipid	0.055555556	1.3888888	0.055555556
6	C15 H29 O3 N1	272.22202	272.22244	0.009705559	272.22202	4048	5840	4734	3639	1034	2117	1620	2260	588	3864	2808	1021	2120	2080	1802	2479	2567	2852	2090	2619	1851	1064	0	1202	2715	9081	1053	0	2447	2781	1225	2874	4903	3381	2765	2779	3275	2299	3488	1324	519	2086	5595	0	0	0	2474	0	2617	1595	3742	5053	2190	0	991	0	594	3963	0	526	1681	0	1035	0	1616	3351	2511	9534	4629	5951	8263	3961	2245	2814	16851	1672	0	987	1869	0	634	0	0	3887	775	1506	9638	1249	1548	148284	12665	2309	4468	2187	2627	0	5728	2708	1285	610	1517	3987	863	1740	0	2082	1150	0	1614	1406	Lipid	0.2	1.9333333	0.06666667
26	C15 H29 O3 N1	272.22202	272.2223	0.022368222	272.22202	30252	23540	29721	32063	47004	4088	18134	0	9456	0	14881	10692	15912	2926	0	9555	16836	12231	0	0	7266	39082	0	6853	6858	14182	13396	17242	17343	6726	6192	12396	17145	11317	10837	8910	4661	7331	34727	38717	31230	23202	15426	0	0	8257	168415	0	9125	13879	28864	30174	18726	0	169723	15496	11938	4763	3037	38385	0	4686	123461	5563	0	24309	16148	39127	0	3677	10776	4262	8383	7507	8550	17336	0	7538	99508	17344	30648	20798	537575	20282	156365	53461	10839	82148	8128	26872	25812	45252	8033	46804	7171	0	30731	31394	1236020	11081	75023	21495	16886	17988	0	9521	132824	0	33837	3615	Lipid	0.2	1.9333333	0.06666667
24	C15 H29 O3 N1	272.22202	272.22232	0.030831518	272.22202	10476	11396	13576	12066	16312	11088	8828	14398	2814	21700	12593	3696	21219	15735	5557	6670	25311	2751	4408	24686	41615	4472	2238	4138	2616	3273	9049	30162	8385	11235	5738	16332	15863	4801	9929	18145	4963	5123	19790	571942	45880	81821	41708	2677	6267	9464	60524	2556	9191	15921	11889	13927	5223	18231	4362	3550	3955	8548	4339	21860	9502	71445	7443	4096	11731	16791	13207	34979	2356	1855	4313	16302	13727	7476	9267	7277	10021	3071	4177	44156	3846	30763	6307	29861	4805	11907	5323	8015	5508	14847	39125	32996	13971	4275	8743	3305	12303	13333	4331	1173	13565	18107	2106	15053	26836	26488	5219	2304	3277	11153	Lipid	0.2	1.9333333	0.06666667
12	C15 H29 O3 N1	272.22202	272.22217	-0.080645494	272.222	0	0	0	0	0	0	0	2672	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1893	0	23980	0	0	0	0	1817	0	1074	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1050	0	1363	0	0	0	0	0	0	0	0	0	0	3221	0	0	0	14077	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1031	0	Lipid	0.2	1.9333333	0.06666667
4	C15 H29 O3 N1	272.22202	272.22247	0.033929475	272.22202	2192	2781	2968	1890	632	888	852	1610	661	1590	0	601	689	2234	1002	3764	2041	2100	1468	2099	1256	2760	1702	1574	3059	2088	1957	0	2023	981	1590	2576	1464	4471	2290	1432	3086	1485	4033	1378	1267	716	0	0	0	0	1721	0	2399	1281	2150	2135	1264	0	1048	323	417	3343	0	0	4953	0	1255	573	1535	1152	1249	2645	1424	2668	2121	1679	2655	1242	2449	1100	0	918	3366	0	831	355	418	2391	412	517	19397	728	1302	22949	20716	4555	4208	3225	3469	0	3130	2288	657	472	300	1953	645	1889	0	2105	572	0	3070	926	Lipid	0.2	1.9333333	0.06666667
16	C15 H29 O3 N1	272.22202	272.2221	-0.060601514	272.22202	0	0	0	0	0	3749	0	0	0	0	0	0	0	0	0	1818	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3285	0	0	41528	10193	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	1.9333333	0.06666667
2	C14 H29 O2 N3	272.23325	272.2336	-0.034211896	272.23325	1503	1427	1099	1792	0	0	0	0	0	0	0	0	0	957	0	0	0	0	0	0	0	25694	0	2046	0	0	0	0	0	582	1500	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1615	1305	2255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1931	0	0	0	0	0	0	0	0	0	0	0	0	0	210	0	0	0	49574	0	0	133022	0	0	0	1366	1446	0	0	0	0	0	0	0	1106	0	0	0	0	Peptide	0.14285715	2.0714285	0.21428572
10	C14 H8 O6	273.03937	273.0398	0.14169288	273.0394	6265	4631	3280	3693	13375	3802	1753	0	13100	3762	3569	2354	21382	4755	2317	4157	2006	15929	14954	2683	2256	5546	5373	1329	1213	0	2352	0	1146	0	0	1042	2833	1206	2933	1293	2276	2618	1602	0	1673	5110	0	0	588	0	0	0	0	0	5295	5146	8687	321	12403	14151	5388	3966	0	1550	0	0	23632	12112	3752	16579	3419	2167	0	0	0	0	1338	0	1638	1104	0	1369	6027	0	3109	1879	0	0	13910	5340	5076	5448	5650	4122	0	0	2755	7784	4138	515	4320	3979	8848	17928	14469	1874	2625	0	0	1686	10178	0	1123	17299	Phytochemical	0.42857143	0.5714286	0.0
16	C14 H8 O6	273.03937	273.03973	0.089989565	273.0394	12053	12042	9977	12748	29874	21508	9077	4608	30414	5962	4898	8563	39086	22227	10842	7458	8218	48754	52140	3534	4094	12595	15015	8315	5980	1718	9166	0	5780	4278	3741	8933	14363	4383	6116	4741	13153	11411	11703	2605	1887	20232	1252	464	921	2610	3290	1299	9620	3572	15627	12332	25694	782	30290	16951	14572	14004	1380	3691	12175	1713	45265	30043	12851	45216	20571	9240	2752	1569	2405	4545	2428	3163	6138	7919	867	5103	23509	5387	13901	3704	1446	0	30269	16573	24961	22864	30077	0	6913	5487	0	8881	5803	1290	12184	11770	21183	24593	31592	8377	8105	2339	0	0	18858	636	8882	46905	Phytochemical	0.42857143	0.5714286	0.0
18	C14 H8 O6	273.03937	273.0397	0.14395577	273.0394	8261	8221	9610	11203	22737	16324	5302	6059	16189	0	2866	7100	30723	16316	6445	8504	4698	36657	32350	0	3316	9884	13096	6784	6016	1502	5859	0	0	1503	4415	5519	9172	5305	2640	4933	5814	5863	6422	1942	1931	13903	1311	659	978	4089	1904	1542	3839	3659	8015	11575	16584	797	18864	15717	13205	10570	2130	1395	8796	1828	28262	21113	13080	25566	15378	8606	1587	0	0	3165	2408	0	3311	4440	874	2657	22657	6999	15618	2349	1682	0	24840	17045	16312	16486	15863	6818	0	4881	6226	6198	4371	1503	8207	4121	11530	16458	24779	7437	4265	2040	1498	8573	11693	840	7880	23943	Phytochemical	0.42857143	0.5714286	0.0
26	C14 H8 O6	273.03937	273.03964	-0.044657603	273.03934	2983	0	0	0	3895	0	0	0	4263	0	0	0	4694	0	0	0	0	0	0	0	0	2096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3858	3588	0	2640	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2950	9388	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3249	0	0	0	0	39749	0	0	0	0	5812	Phytochemical	0.42857143	0.5714286	0.0
14	C14 H8 O6	273.03937	273.03973	0.12327126	273.0394	11102	15308	13546	15396	28694	18191	7030	3105	32067	6555	7740	8188	37395	16516	12787	10884	7460	55130	43747	3924	6787	14829	15313	8655	8435	0	7654	0	3186	2970	5340	0	15868	6437	10364	6791	11975	11346	8264	3215	0	18372	0	315	645	4996	3887	1064	4603	2256	12208	11310	24028	825	26151	22971	21098	10160	0	0	0	1519	45943	25640	14479	38777	17276	10572	0	1648	0	3695	3481	2823	6453	6159	424	7114	24788	0	18213	5045	1663	1637	32390	23903	19583	19500	26652	14812	3425	7071	15962	16242	8127	792	14445	15316	18895	30116	30327	13584	8453	3879	0	8017	17965	0	7087	39626	Phytochemical	0.42857143	0.5714286	0.0
12	C14 H8 O6	273.03937	273.03973	0.13114206	273.0394	9830	13723	10771	10651	18567	10721	4293	3271	19092	4366	7203	5402	28472	12630	4690	7937	6723	28513	31153	4631	6087	15841	8603	5295	2071	0	5419	0	2821	1645	1690	2936	8746	3968	9364	1564	8169	8507	5997	3109	0	11328	521	386	727	4044	0	808	5261	2157	8773	10890	15787	483	24750	19036	12376	10990	0	0	0	0	36882	21931	9732	26398	7714	5766	0	1089	1261	2160	2904	1651	4408	4492	513	3836	14447	0	13686	2461	2078	1154	20981	11171	18131	16101	17349	12211	3801	7753	11691	11816	9832	823	7510	8803	16513	22509	25127	10109	5685	0	0	7378	14132	0	5139	32196	Phytochemical	0.42857143	0.5714286	0.0
12	C13 H8 O5 N2	273.0506	273.05096	0.104421645	273.05063	6860	7127	6121	6334	4743	8292	3910	25597	3535	0	0	27292	2610	1047	16871	6509	35452	6650	12579	1350	1910	12404	31253	16516	2758	0	1935	0	13251	8801	25017	7634	37015	10350	1639	8255	15813	20072	16109	1226	0	18842	0	0	0	2851	0	0	9499	20209	7758	8438	8722	0	4260	939	6611	10222	0	0	0	0	3330	4893	7691	5786	15856	29891	0	1165	0	16319	12044	8299	23570	7456	0	23643	10818	0	14420	4211	1173	0	3517	2748	9802	12003	20981	66295	0	0	43176	2551	0	0	5112	6754	2443	1546	1676	19533	20544	0	0	64843	1695	0	3469	7124	Unclassified	0.3846154	0.61538464	0.15384616
16	C10 H12 O5 N2 S1	273.05396	273.0542	-0.022659957	273.05396	3979	3138	4368	4044	0	0	4317	6449	0	0	0	6151	0	0	2462	10559	35612	0	0	0	0	1790	3660	3482	2189	0	5465	0	8988	7985	9054	12158	7290	14581	0	13054	5693	3126	30969	0	0	1418	0	0	0	1832	4925	0	12324	5430	6651	4140	0	0	0	0	1681	14101	0	1488	10748	0	0	0	0	0	0	32242	0	0	0	7642	10601	4752	24088	11115	0	2557	10284	0	3765	3742	0	0	0	0	5350	2617	1895	44121	0	0	0	0	0	0	4412	4412	0	0	0	12494	2361	0	0	15658	0	0	7736	0	Peptide	0.5	1.2	0.2
6	C11 H12 O8	273.0605	273.06097	0.15013641	273.06055	9712	9804	6931	8604	37371	14091	2082	2465	30287	2069	3566	3156	68606	17986	2083	4020	2655	37862	37458	1997	3523	3340	4564	1743	778	0	1784	0	3065	3507	3942	2659	7732	4219	2801	3710	5778	2402	3964	0	1600	10266	0	0	335	0	0	357	3370	2088	6346	7981	22021	394	26350	37380	12127	3613	1800	1024	2338	0	66645	31086	11698	42685	13257	5660	0	0	0	3838	3821	2178	1849	2825	0	2484	4595	0	2099	655	581	0	44328	10535	4933	13644	14406	2975	0	2779	1532	2147	1780	0	8854	7840	20234	52712	55370	6987	3147	0	0	2789	31394	0	1841	72060	Phytochemical	0.72727275	1.0909091	0.0
14	C11 H12 O8	273.0605	273.06085	0.13120121	273.06052	0	0	4811	2519	12278	7305	0	1938	20992	0	1946	2005	28672	9497	1305	0	0	16546	13228	0	0	0	2531	0	1512	0	0	0	1774	2748	1608	0	0	1492	1901	0	2305	1668	1701	0	0	5584	0	0	653	0	0	795	0	0	4282	4293	9512	0	15305	11040	5984	0	0	0	0	1395	28720	21320	5275	18722	9314	2171	0	0	0	1224	0	0	0	1191	429	4901	3196	0	3545	1456	0	0	16830	5026	2635	5425	6991	0	0	0	2459	0	0	485	2784	3607	9459	15672	10409	0	3657	0	0	0	10153	397	1649	27071	Phytochemical	0.72727275	1.0909091	0.0
12	C11 H12 O8	273.0605	273.06088	0.10832189	273.06052	10382	7135	8097	6651	24210	17357	0	2171	30894	1460	3583	2749	41595	14809	4972	1775	2584	28493	30353	1354	3111	0	5575	0	0	0	2540	0	3191	2174	1980	2102	5241	2402	2355	1985	6607	3836	3310	0	0	13037	856	530	501	3402	0	648	2272	2943	5387	9161	18173	405	29771	20167	11849	3258	0	0	0	0	55796	33946	8991	34546	15557	0	0	0	0	1734	1195	0	2661	2585	0	3645	2249	0	2942	1662	0	0	22792	8588	4069	11969	12026	0	2930	4824	0	0	2323	0	5540	3999	17105	26035	23483	6059	4957	0	0	2334	19477	367	1186	73654	Phytochemical	0.72727275	1.0909091	0.0
10	C11 H12 O8	273.0605	273.06088	0.15746707	273.06055	12581	12452	8912	15930	42908	24659	2090	2477	44543	4368	5510	4452	91841	19375	4827	2981	4831	52169	49024	2174	2804	5228	6804	2778	1636	0	2961	0	1973	2990	3942	2473	9515	3062	3093	2920	9702	2898	5059	1792	1253	14577	719	0	545	0	1959	684	1986	1604	10936	8812	28214	0	47567	36981	12721	3265	0	1825	0	0	79337	49559	12109	49514	16234	5583	0	0	0	1827	4308	3397	3558	2378	0	5362	6403	0	4924	1611	787	0	42445	11943	5955	17005	18441	1237	10090	14346	1702	1807	2115	553	7193	10356	27024	47782	45849	7798	3781	0	0	3909	29753	0	960	98566	Phytochemical	0.72727275	1.0909091	0.0
4	C11 H12 O8	273.0605	273.06097	0.088877864	273.06052	1688	2863	2691	2323	11245	3829	623	766	7860	0	0	1038	21595	4456	563	1110	778	9890	8392	0	1198	1385	1875	922	243	0	0	0	0	1184	1204	1182	1894	0	0	0	1479	897	1014	0	0	1851	0	0	386	0	0	0	1013	912	2267	1613	5900	382	6481	12537	3248	569	828	0	1418	0	20753	8810	3439	13619	2266	1743	0	0	0	685	1073	841	0	786	0	781	1606	0	1465	0	0	0	12232	3759	1607	3193	4031	766	0	1364	822	0	0	0	1814	3071	6865	19727	18668	2381	662	0	0	1103	7705	0	0	20459	Phytochemical	0.72727275	1.0909091	0.0
8	C15 H12 O5	273.07574	273.0762	0.10704336	273.07578	38168	40414	22168	36713	34128	23102	19370	46792	43792	44667	41300	22513	43039	21417	23405	59036	30449	37846	50272	45956	46614	49462	28540	62868	13949	26391	20296	22843	40602	23347	19994	52104	30482	16830	63267	20979	26482	20510	29627	31302	52399	24054	5296	3146	5441	29824	30204	4740	26334	22670	35771	34279	28073	3693	46178	37007	27370	30414	20666	24309	27682	27725	49073	39799	22366	41411	23697	31829	42459	36349	62557	42122	45394	16482	18624	32192	4073	18950	39468	26338	34550	26942	20141	15709	35655	22709	35590	24654	30689	40269	21684	24498	81862	36526	39964	5983	33513	37233	39706	49917	42462	34612	25043	23215	18877	24058	31704	3418	24476	43938	Phytochemical	0.33333334	0.8	0.0
10	C15 H12 O5	273.07574	273.07614	0.11409474	273.07578	71083	65988	55090	54470	66380	41664	38703	42230	71625	89759	70215	39185	86940	36621	37604	53983	38528	83487	88817	82968	95546	94385	55544	53256	28974	69306	36294	41886	40850	37693	36861	37282	59536	30800	114710	33023	49812	40673	54678	66909	77250	40145	7416	4384	6849	43817	61178	6655	38847	36537	57074	64491	52108	5440	81883	58562	38844	61625	36789	47943	57120	45627	74185	74527	32984	75267	44600	54274	89642	83202	121227	32566	34646	28886	39257	40236	5076	30570	66309	47017	59388	46305	33120	39131	76027	49401	69582	47631	51026	62649	36909	49627	58504	69000	84625	8274	60387	64273	67678	72446	73459	54612	37753	43900	37603	44834	54496	5627	35323	83526	Phytochemical	0.33333334	0.8	0.0
16	C15 H12 O5	273.07574	273.0761	0.10885018	273.07578	162369	170603	132616	150786	196344	144196	90784	96859	202163	199953	140816	74188	253963	133543	108005	133953	109934	345484	321211	215483	169175	200781	143284	129383	104611	112696	92091	111203	100728	77234	88854	104932	152089	88143	258803	84258	165842	93972	110198	137887	139610	122614	12185	6476	9502	115651	108955	10471	118912	83360	162331	158678	170328	7091	207544	148825	125096	159022	83248	77845	140204	86707	228309	169898	90869	266320	164861	107339	113131	172762	156165	88514	84867	56564	91946	99667	8165	80452	176089	159695	122244	113084	85697	95165	181399	131218	180860	161658	168681	199876	178613	167542	194067	151369	186643	11636	144457	147348	152143	177961	185176	145843	77104	109746	66023	129292	138798	7046	106027	252016	Phytochemical	0.33333334	0.8	0.0
12	C15 H12 O5	273.07574	273.07614	0.10228809	273.07578	99138	120163	103576	95781	106371	63478	59625	69821	112287	140546	128705	49271	108959	55868	60415	96775	69884	155702	166412	139739	130165	149076	77688	74020	52313	106778	63830	74346	69544	52327	62264	59111	99396	62457	202578	50747	82843	75287	65906	111570	114794	68826	7682	4322	6333	84966	103961	7766	68721	58617	110112	106882	93300	4383	143887	88185	70633	98785	66325	64054	84764	76803	154591	102379	51500	128025	75619	85338	121058	159555	181899	53586	52363	45981	55798	72970	4697	57890	102385	69683	89480	80996	52533	70332	108499	67242	106715	72878	83635	125350	97538	82962	96247	108076	156679	7435	105250	110696	101201	106535	111905	95442	59469	70786	49271	70646	83254	4693	63538	149029	Phytochemical	0.33333334	0.8	0.0
14	C15 H12 O5	273.07574	273.07614	0.10869131	273.07578	142543	137844	125961	140773	159381	116365	95426	101967	157904	205405	139773	74937	208612	107061	99368	123309	98597	249471	224029	177726	196184	199203	113521	122586	79721	131602	82782	123034	81152	75534	79251	98523	136349	78031	257755	82862	130397	90959	104485	151823	147197	108833	7976	4879	6470	108938	115208	7838	99926	68878	132098	127385	137649	4789	187250	127078	99207	147673	109307	79980	130270	96734	201395	163473	87538	201557	120094	102516	136160	176723	187820	69202	71017	65980	69480	88441	4613	69416	154098	142259	130042	100551	77483	102692	160842	105548	167123	115819	149186	174774	146003	139879	159268	134384	186452	10177	144909	136601	138777	167783	157859	127340	83438	108465	104420	103679	119944	4865	92202	188693	Phytochemical	0.33333334	0.8	0.0
18	C15 H12 O5	273.07574	273.07608	0.11105459	273.07578	127832	125421	96634	99661	155918	113654	63937	78460	117564	143979	100338	58327	202444	95211	81720	101069	75180	243084	240710	136969	110971	137520	111328	106392	80532	84308	64400	88011	86867	64643	69010	81091	113908	75386	158604	67017	122766	68279	75730	99416	103243	97095	16926	5989	9706	91570	75867	7982	74664	55926	109877	120661	120958	7792	160617	109436	81757	125665	65058	51607	93611	69197	192303	124162	72000	180152	114405	81569	83701	101594	104473	68413	54540	45679	55276	69119	6893	57010	118996	113663	100097	83129	53512	65398	137952	106922	135975	127805	130667	120816	119239	120754	146589	106866	153649	11866	114712	115823	118473	129238	138034	113065	57563	92199	53748	83622	90243	6414	85256	186365	Phytochemical	0.33333334	0.8	0.0
20	C15 H12 O5	273.07574	273.07608	0.10907746	273.07578	58038	62330	48790	53446	91983	61891	30324	36785	80331	73163	41617	28397	113850	65613	51067	39658	40997	114736	119939	69871	64939	73086	51558	55908	41917	48714	35092	53064	35757	33751	31485	39370	49209	36091	90356	29011	63630	35478	36064	53063	58172	52352	12393	9735	8581	47345	43624	12571	36815	26019	56108	56052	60696	8053	72367	68948	46711	51806	30386	30656	52818	36997	99770	73468	41738	89759	59656	40253	42552	47916	60732	33228	28082	26330	21454	35376	7209	26260	67665	58498	56515	34673	33695	38900	85913	57265	72369	60929	59861	50617	63074	64213	84036	58760	55976	12269	52450	58408	67092	86678	96474	51986	33217	41645	35038	43479	58326	10306	41678	123262	Phytochemical	0.33333334	0.8	0.0
22	C15 H12 O5	273.07574	273.07608	0.09422324	273.07578	28555	31727	22357	28934	44251	25356	13657	19214	39234	35628	27076	15308	41540	26439	18854	19482	12209	52141	38512	29031	21684	34536	26124	22912	16640	24311	13520	20661	18790	12565	16878	17000	23212	13793	34240	15422	22189	16295	18729	31634	26332	19632	7380	6023	8412	22969	25283	8704	15175	18354	29354	24470	32131	7621	39629	34240	21375	26260	10756	11390	20438	14889	52629	39472	19540	44809	23468	17392	26096	29133	33132	14511	12591	10679	8694	14873	7831	13100	32262	26322	30902	21245	14080	19701	50724	25281	31397	27992	26484	26989	30889	25425	30138	33806	33891	9998	24327	25120	29147	50203	40087	23059	20175	17868	22539	22929	27601	7734	17279	55210	Phytochemical	0.33333334	0.8	0.0
18	C12 H16 O5 S1	273.07913	273.0795	0.08849331	273.07913	4194	2719	3614	3535	4830	9148	3171	1582	3184	2872	2378	1159	5816	5151	1727	1702	0	12246	3932	5226	4019	8919	1730	1243	2592	0	0	4442	0	2373	0	0	5928	0	5716	0	0	1370	0	3752	1947	2249	268	0	0	2403	1583	0	3247	0	2549	2221	5007	0	2882	3754	1221	3172	2834	2670	0	3154	2392	3544	2122	5695	1931	2029	0	0	1721	0	0	1327	1976	0	0	1434	3312	4602	0	1354	4839	1305	2103	2864	2125	4480	6152	0	20568	25843	2557	6760	7327	0	3388	2956	3152	2805	4651	2464	0	4468	3203	2384	3957	0	1241	4029	Organosulfur	0.41666666	1.3333334	0.0
14	C12 H16 O5 S1	273.07913	273.0795	0.11078329	273.07916	7308	6912	8111	8305	17267	15955	5281	2368	12741	10146	8635	3272	19485	7640	3374	0	6780	21886	14297	10873	10722	12589	3456	5337	7695	1899	4947	14848	5692	2767	3614	0	4983	5297	15278	2570	7858	3057	7589	11713	12751	4818	0	0	0	12064	10059	0	3656	2319	10348	6084	13919	0	10820	11084	6238	8728	12372	13102	0	6382	7167	7057	5050	13883	5802	5013	0	1900	2958	1859	2919	0	2583	4251	0	2455	4510	20569	0	8521	11361	8220	11958	6685	9304	6640	9256	8155	42904	37718	5719	14180	25313	0	8737	6595	10687	16012	12974	6691	2512	14726	0	3953	12519	0	4945	12021	Organosulfur	0.41666666	1.3333334	0.0
16	C12 H16 O5 S1	273.07913	273.07947	0.055187564	273.07913	5590	5504	5559	7570	13723	12865	4140	2065	8411	11349	7137	1535	22192	9101	5479	3329	2568	23067	11291	14999	13214	13196	4143	2974	7418	2001	3998	10706	4374	2022	2163	0	7205	5447	8648	1733	4954	2763	2877	12392	8694	4909	268	0	0	8766	8658	0	2889	1472	6744	9299	10752	0	4772	8009	3776	7419	9012	8879	0	7953	3901	5088	5050	11753	6127	3819	0	2686	0	3927	1483	0	1854	2078	0	0	3570	14104	1304	4871	6678	7102	6520	6240	6473	4035	7238	0	30852	32815	0	13667	21796	0	7658	7350	8693	6300	7074	4353	1425	12417	5976	0	10948	0	3529	10491	Organosulfur	0.41666666	1.3333334	0.0
12	C12 H16 O5 S1	273.07913	273.07953	0.105625644	273.07916	8317	8102	11291	7885	11322	11074	2398	3074	10911	11632	8836	2937	10614	5103	4181	7160	6418	14439	19063	11850	6424	19794	3629	5834	6568	0	5391	0	4235	3142	2301	7033	6688	2496	10672	4049	6704	3738	3933	9214	8800	7135	548	0	0	9149	17673	0	4542	2761	9083	9178	10244	0	9754	5221	5212	7358	9788	7458	0	3132	7860	4600	4745	12211	6697	4843	0	1551	3099	3121	1905	2848	6902	2678	0	2449	3053	0	2468	8624	7403	5153	8493	5850	9225	5391	8530	9494	26996	30251	7428	16768	35551	0	6795	8624	9449	11091	9239	9355	2635	9390	0	6567	12030	0	5064	11537	Organosulfur	0.41666666	1.3333334	0.0
16	C14 H12 O4 N2	273.08698	273.08734	0.121246144	273.087	15613	19174	14456	18292	11576	10271	15909	15053	10598	14671	17299	12452	4873	7300	16323	26533	23627	12699	20496	10684	24406	28827	14313	24061	17045	13039	14418	12027	12964	13323	11290	12706	22732	14570	17415	11412	26720	9670	34479	20879	41954	14986	739	789	822	16236	19999	930	17690	13399	19870	21899	12911	800	5803	4388	9718	23601	8282	19933	20700	11571	11189	8437	8799	12775	13850	27797	15448	17129	20632	11133	13520	4796	15297	13345	371	10520	26667	32635	19030	15528	10613	16694	8869	7018	32344	20928	14248	59164	20292	24909	0	25160	30514	738	20232	16190	4638	6606	9950	17558	10637	13775	5781	30509	6714	483	28181	17924	Unclassified	0.2857143	0.85714287	0.14285715
12	C14 H12 O4 N2	273.08698	273.08737	0.12187201	273.087	31387	36660	35387	36250	28431	21747	30182	33241	20083	45907	39808	20781	19273	15795	23134	42366	43258	38843	43197	43200	60333	68079	29085	41139	30882	34806	30234	22944	28285	17800	25665	23799	39561	26679	59181	16268	39728	26919	56833	53915	95373	26725	1077	547	456	41976	50310	612	31130	29658	34082	36593	28187	527	31781	15976	17420	44058	18060	39413	36739	33500	31347	26246	11972	34109	30044	50273	44527	50848	82728	23446	16770	11868	25824	20335	0	23141	41443	50780	33401	30626	23240	32524	25138	18997	49114	25805	31483	120155	51787	67808	89804	65869	54392	749	34013	37478	19476	20827	20126	31874	27654	25744	0	55812	16560	519	35451	40203	Unclassified	0.2857143	0.85714287	0.14285715
6	C14 H12 O4 N2	273.08698	273.08743	0.10403219	273.087	27663	30723	25029	28163	15267	11758	20915	32752	16828	38174	29260	23252	18667	8462	22883	46946	42662	20910	31167	26726	37816	31074	20966	35354	16615	18085	23873	22288	31994	26606	27248	38224	40174	34824	37752	31506	33874	24550	71905	21171	43682	21807	0	0	0	21149	34177	380	38708	26765	30898	27959	18639	492	17494	12315	11322	35379	5271	17281	36956	15733	22001	15648	8212	17161	19309	73876	25677	31746	51841	28582	26302	19332	36152	27791	0	18231	21504	16612	18897	13317	7071	14327	16008	9829	29778	28192	22329	75423	14018	14713	51897	25185	31121	350	24183	25176	9887	13660	16144	40817	21096	14688	9558	35963	10903	0	21867	22345	Unclassified	0.2857143	0.85714287	0.14285715
8	C14 H12 O4 N2	273.08698	273.08743	0.09115935	273.087	36876	39909	28651	32364	23525	18531	21314	29585	18525	42495	34283	22457	28741	8457	21565	45928	38197	27177	37558	39409	49080	58367	22165	39646	19244	27156	23569	24925	19707	20997	24098	21856	32519	19433	52473	18535	31948	22766	47802	34247	68337	23198	763	0	354	33641	43156	369	31491	21097	33414	35592	22229	492	24977	15228	17717	30496	12035	31502	36670	30337	25310	24749	16848	30573	21231	49740	32961	44603	64030	23416	20221	16236	52916	22503	358	15770	37211	34267	34277	22844	17738	21533	20586	13219	41683	29676	24576	96907	28799	26007	70268	38373	49819	496	33744	30277	17731	17990	19075	32849	19613	26855	14656	41154	17805	0	30512	28206	Unclassified	0.2857143	0.85714287	0.14285715
10	C14 H12 O4 N2	273.08698	273.0874	0.11726145	273.087	41707	35980	34587	36451	27170	18036	30839	38187	23494	49187	47365	26437	24208	14485	25163	51427	47780	32305	46109	42042	56933	66998	30549	49149	28590	36879	35245	31564	22421	22837	22289	26152	44406	28699	49928	23673	43825	27954	58710	48539	85412	24552	975	0	543	41703	44804	675	33707	26868	43790	34484	27474	669	30600	16014	16071	47063	20943	35470	52595	29992	23944	27706	17891	31196	25810	68273	53422	56375	81175	25484	23197	11986	37476	25243	0	21310	51609	39243	38627	29589	20015	25264	25583	18464	61539	32667	24433	114083	40761	32666	87434	60761	69853	833	39535	32192	16638	19561	21193	41633	19413	26831	21034	43561	16679	0	40213	35245	Unclassified	0.2857143	0.85714287	0.14285715
18	C14 H12 O4 N2	273.08698	273.08734	0.13354932	273.087	6697	8136	5385	4648	4218	4560	7764	5911	3760	4288	8802	6974	2043	3502	5036	8467	10100	4423	6155	3316	3999	19318	7740	11398	8615	3551	7020	4455	0	3364	6407	6317	9472	0	4326	4824	7486	6071	12462	10531	24075	5605	375	751	851	3952	7145	919	9442	7223	9324	7987	5950	702	4483	1186	4893	14798	2288	7231	7824	4946	2323	3593	3106	8488	4425	14408	5374	5998	12221	4914	4545	2850	6304	0	399	5983	11413	15563	10220	5800	4890	5464	2572	3194	13649	8109	8806	24537	10087	8575	19663	11577	10804	793	5317	6072	2673	1879	2414	7120	5264	6899	2892	13190	3265	558	11449	3853	Unclassified	0.2857143	0.85714287	0.14285715
14	C14 H12 O4 N2	273.08698	273.08737	0.09802405	273.087	33440	31689	27471	29542	23705	15955	26950	26259	17793	34975	30965	19970	18993	10589	15978	36273	31907	24063	29692	23563	42987	50125	26367	37793	24240	27671	24120	21034	20988	21635	17162	21953	34306	19689	29339	19062	35621	24438	45296	36951	79174	20131	0	715	622	25260	50669	815	28774	19473	27590	36380	20148	712	14948	13346	16181	38101	17078	31961	22910	27945	23509	17076	14578	25108	23258	41945	23573	29837	52197	17336	16312	16442	27984	19830	361	19143	41847	59630	31028	26167	24547	30051	17784	12222	40632	23933	28594	113088	44588	36556	67384	43666	49188	582	35738	19870	14532	19354	16333	32389	16917	28125	0	39959	11083	669	33955	22658	Unclassified	0.2857143	0.85714287	0.14285715
4	C11 H16 O4 N2 S1	273.09036	273.09085	0.10411133	273.0904	6458	7055	7678	7524	7967	11391	2565	6235	6221	5676	3130	3391	10396	4712	5190	7211	5926	17769	13610	5723	4793	14116	9487	11097	4878	315	2627	3804	6927	3233	7116	6384	12897	5702	6262	5922	14294	4139	8956	3603	3965	5380	0	0	0	4772	5341	0	7165	4474	6571	6095	6189	0	6604	2974	2712	10364	5033	5773	9429	2424	12284	6564	2028	10352	6625	6689	944	1460	0	4439	3723	3191	1887	4502	0	3961	3303	0	3476	2932	2782	1172	3693	4103	3843	6923	8746	9551	7355	9808	20837	3103	3909	0	6668	6479	3338	4812	4118	9912	3675	5796	3427	12291	2779	0	2788	20660	Peptide	0.36363637	1.4545455	0.18181819
14	C12 H16 O7	273.0969	273.09726	0.078761235	273.0969	59854	55878	63289	59344	123569	109186	36899	38277	172199	37557	32878	29246	239749	82835	48277	37173	43650	215460	152184	41545	37991	31615	51295	26699	34902	9213	25957	24211	61076	44814	38280	46112	106671	44242	47267	50742	87311	42649	46422	31177	25350	71731	4443	2444	2740	19690	23869	2780	42463	34875	59551	55348	110320	3219	247344	110716	57598	47399	40481	24063	35549	26871	168684	160069	53147	148021	88309	32698	13765	16528	16000	37031	42113	47703	34843	43430	1989	38761	30682	20417	28773	18229	26338	17034	104160	61576	38399	51000	80920	25289	41386	50182	36354	29148	16794	3706	51917	60760	89235	104319	99207	90127	33437	33270	0	32605	98217	2586	22565	212174	Lipid	0.5833333	1.3333334	0.0
18	C12 H16 O7	273.0969	273.09723	0.12492881	273.09692	9375	12168	12046	11910	13543	12622	11249	12384	21198	9841	5796	8758	26738	12931	14116	10418	9945	27882	22655	8890	9866	12977	14210	11249	11142	1539	7678	7009	17457	8458	14322	14149	22198	10929	13291	15085	19898	12973	9214	6271	4005	10785	3575	2654	4409	5853	6910	3412	18891	10574	13395	12245	17444	3061	30579	14447	11498	14907	11766	6775	11592	5843	24902	21022	10534	18841	13970	9399	2390	4384	2020	13294	12533	11877	6470	13998	2513	12580	12493	5138	11818	5430	5405	5992	13360	11970	15146	10901	16625	7169	8817	13949	13240	5397	6667	3368	13477	13852	10485	13743	15671	14740	8591	5357	2640	13055	10808	3060	9973	20306	Lipid	0.5833333	1.3333334	0.0
16	C12 H16 O7	273.0969	273.09726	0.11610319	273.09692	29107	25400	27198	30775	52768	48050	22361	20362	58043	15207	13585	18927	87663	33148	28593	19658	27758	78916	70245	16329	19015	22521	26161	19104	16464	1746	11434	11095	29874	23939	26266	34532	46501	21934	24018	25609	40046	21881	18640	13437	10854	29354	3321	2755	4618	16995	9499	3985	27850	22553	27561	30489	49903	2708	74174	41433	26060	26624	20053	14508	21633	10647	60265	61953	19383	75606	38976	21593	5382	6964	6508	15841	26068	25026	19882	22227	3509	20988	21818	15896	20062	16760	17887	9600	41145	21767	24810	23323	32581	0	18519	22839	0	15004	10841	3916	24381	27506	36341	44333	47934	37686	20258	19282	6661	19102	39656	3967	15124	87943	Lipid	0.5833333	1.3333334	0.0
6	C12 H16 O7	273.0969	273.09732	0.06992842	273.0969	48005	46152	45990	45496	79620	51459	27313	40808	203912	32193	27755	29562	139874	42958	32381	45504	44293	281338	117097	34280	38749	30740	36673	32469	13366	5281	22725	18633	47334	49516	40309	51062	56316	40216	38265	51538	58132	26946	94308	17066	23238	112130	2475	1159	1846	25232	25747	1344	47657	39346	47775	48327	66511	1921	127478	190632	41600	49444	27606	30352	44673	14788	125497	89109	35277	99711	62154	96546	11700	11396	14238	34518	43479	50997	27684	38585	1233	27436	28062	13313	22782	14778	18675	9444	95648	49324	33630	45728	121692	31291	24467	35283	37109	24726	24844	1749	47543	49833	120222	113119	266480	67874	27268	38819	17193	68904	96944	1416	17810	152616	Lipid	0.5833333	1.3333334	0.0
12	C12 H16 O7	273.0969	273.09726	0.05884655	273.0969	120943	109211	124919	123094	293165	209972	65152	88100	420783	78248	62972	53309	450322	160247	98758	79830	73207	465848	394798	97516	102742	65359	94450	44570	57230	10924	60813	56863	115574	71956	86134	90593	175230	93815	118513	97011	144629	73245	70664	51897	49001	150304	6237	1911	3445	47400	35809	2659	89296	55761	116983	107953	264606	3128	575618	235131	125559	96731	75700	54885	72134	40978	439812	356965	92998	376742	181805	62293	18869	30422	37518	61937	88312	87992	61352	81629	1814	83482	66474	51804	47619	40367	51603	28417	201131	143913	71750	117124	170433	45097	56761	99356	61956	53124	43922	3750	133076	133534	220523	232675	218783	138603	63207	62417	0	64824	287859	2771	43369	574462	Lipid	0.5833333	1.3333334	0.0
2	C12 H16 O7	273.0969	273.0974	0.12165871	273.09692	5300	5026	3238	5290	9049	0	4336	5183	9090	2112	2316	5256	12478	7189	5338	2433	6411	24878	7950	2571	3408	4916	5503	3812	2223	1067	0	2714	7350	5213	6044	6572	8866	7995	2567	6515	5142	4055	5715	1958	2236	5733	1195	830	1743	4264	2114	1221	6291	4230	4850	4485	13896	1098	10317	10784	5392	5067	3269	2439	3480	1346	23564	9642	5412	11790	6943	6249	2169	1135	1816	8909	9389	8133	1329	6877	1157	3629	3775	2287	4362	2881	3004	1100	9878	6313	3604	8385	6714	4738	7140	4391	5930	2152	1469	2313	4709	5439	8497	11063	14111	5673	5950	2581	3104	4706	8022	887	3381	23588	Lipid	0.5833333	1.3333334	0.0
2	C11 H16 O6 N2	273.10812	273.1086	0.12095442	273.10815	26831	28078	22641	23316	46248	33010	10918	26337	36183	7441	7536	19652	53319	17196	17215	5773	20512	55777	50040	8754	13430	28191	21050	22298	8177	0	2504	5138	33944	15099	28710	24080	50388	26824	12879	22683	37948	13496	21880	6803	5541	30376	496	0	0	9290	4615	0	26967	12745	24888	24038	42527	344	41336	17615	17641	33044	8585	8358	9723	2572	72643	41788	21340	60584	46313	27910	1444	3407	2030	27205	28929	18557	2825	20273	0	15500	14097	3208	12069	4628	4929	2044	20457	16768	16013	51126	47476	29074	0	28784	45216	5054	1448	516	28045	27313	17990	20157	17026	27282	19289	12866	4473	38154	19706	0	14084	103799	Peptide	0.54545456	1.4545455	0.18181819
16	C11 H16 O6 N2	273.10812	273.10837	0.22802971	273.1082	0	0	0	1990	0	0	0	1805	0	0	1938	0	0	0	0	0	1605	0	0	0	0	0	1671	1733	1656	0	0	54849	2075	2193	1351	0	1680	1246	0	0	0	946	1318	0	0	0	571	720	604	1183	0	635	0	0	1500	0	0	0	0	0	1431	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1261	0	1864	0	0	351	1219	0	0	0	0	0	0	0	0	0	1918	1391	0	0	4076	0	0	0	705	0	0	0	0	0	0	0	0	0	0	0	509	0	1619	Peptide	0.54545456	1.4545455	0.18181819
12	C11 H16 O6 N2	273.10812	273.10852	0.2000474	273.10815	6403	8289	8182	10177	6134	8171	5884	12591	6576	2745	4471	5404	3792	6452	9550	11547	9601	7274	8459	2063	0	5321	10671	13394	7916	0	7258	36618	15675	13682	15640	15682	12601	13481	3189	15022	9676	14157	8486	1471	0	11549	466	0	362	3411	0	0	15123	12127	11416	6603	6359	430	7344	1118	4586	19819	0	0	0	0	5622	6057	4023	7841	7337	7475	0	0	0	14591	14221	15802	8172	10855	0	7324	8415	0	4258	2112	1168	0	3543	4785	8028	7213	11744	11947	16773	13695	17008	0	2742	0	7692	8282	3778	1490	3127	15653	9726	0	0	15496	4564	0	9171	7899	Peptide	0.54545456	1.4545455	0.18181819
10	C11 H16 O6 N2	273.10812	273.10852	0.15891841	273.10815	12344	11017	6589	10221	9222	11738	7754	13831	16312	4222	11451	15627	11893	5749	17020	16718	14442	17746	19799	6480	6774	9192	17472	11637	10034	0	5417	39899	14320	12963	10985	15482	18494	11718	4134	13590	15804	13459	20290	3764	4778	12281	0	530	0	6019	5421	0	14585	10297	12604	11730	9820	445	15552	5632	6455	12057	10301	8611	12909	2101	7859	11621	9843	14461	12219	15352	0	1798	0	11333	12226	17101	9664	9963	0	11302	7977	11408	6669	4459	4166	0	7555	10079	11896	14283	14030	19680	29472	23778	25526	4939	5183	0	12254	9615	7674	4924	5715	19972	12166	5843	0	17833	8613	0	8499	15260	Peptide	0.54545456	1.4545455	0.18181819
6	C11 H16 O6 N2	273.10812	273.10858	0.13330074	273.10815	31553	36118	28100	32468	35270	31472	16907	34520	46957	10201	14925	21643	49039	18770	25463	39632	43079	66292	56590	14852	16585	29455	24957	29760	16162	1013	16629	14967	31157	25882	27403	30994	44516	30262	22500	25309	39107	21016	48858	7621	12578	34146	852	0	420	13941	14722	404	34609	23487	32392	29303	40807	707	57030	24591	22712	36976	17286	22540	39324	5689	52969	39801	23634	44199	36490	54926	3172	4404	4064	23998	27727	25432	19391	21398	247	16693	19229	14038	16121	9292	10938	2703	30812	28675	26132	43960	41281	49975	35065	37139	67178	11758	6219	670	31873	28604	26038	20599	25279	44812	22756	17959	9928	39475	36730	0	15434	81602	Peptide	0.54545456	1.4545455	0.18181819
8	C11 H16 O6 N2	273.10812	273.10855	0.14267978	273.10815	22738	19102	15937	22661	19886	19207	9524	16874	32227	8618	10645	13964	29121	10238	20405	18697	23701	34078	33962	10293	11042	22203	19825	21052	12753	731	12989	19439	19561	15663	16934	21412	24870	19718	13553	20007	24580	15811	26616	6663	10348	20464	637	0	406	6463	7711	0	17866	18259	16033	17978	22630	614	34386	15938	14125	18418	12455	14257	20903	7218	23365	26274	17262	23514	16820	26468	0	3808	0	18302	16656	15790	16224	16754	0	13914	15879	10641	9850	7883	6481	1934	16758	13732	18295	23414	23226	33023	26534	31948	41581	11123	5730	485	21053	25879	20748	12642	14066	24400	14195	14464	0	24156	23546	0	10901	38369	Peptide	0.54545456	1.4545455	0.18181819
18	C11 H16 O6 N2	273.10812	273.10843	0.29885653	273.1082	0	0	0	0	0	0	0	0	0	0	0	1080	0	0	0	0	0	0	0	0	0	0	0	0	1366	0	0	73069	3131	0	0	0	0	0	0	0	0	0	0	0	0	0	489	437	657	0	0	700	0	0	0	0	0	474	0	0	0	1147	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	656	0	0	2256	0	0	0	0	0	0	0	0	0	0	5549	0	0	0	0	669	0	0	0	0	0	0	0	0	0	0	0	652	0	0	Peptide	0.54545456	1.4545455	0.18181819
20	C14 H17 O4 Na1	273.10974	273.11002	0.030947857	273.10974	382066	413025	380602	317609	418244	348425	218084	326343	382369	593725	427374	214307	490151	348521	289310	350399	252679	534163	544700	696587	667211	465278	305782	395348	278749	530456	206603	481148	319650	281644	256681	296386	417136	312414	679057	270280	450043	233416	256869	512536	449466	325384	42707	37317	34651	323415	311064	39993	324154	247722	379478	381171	361936	29964	392914	326263	240895	382154	269725	235423	370173	311142	436244	351735	201588	475798	377442	275894	384200	547052	580929	286516	283218	248192	233684	311056	32430	222650	335253	377989	262818	218249	263570	373986	358128	266368	364847	342641	342763	378578	452694	421895	487136	374557	448599	45792	364019	390041	331794	340429	375908	404638	231305	388731	227215	329158	295604	40921	249333	514175	Phytochemical	0.2857143	1.2142857	0.0
22	C16 H16 O4	273.11212	273.11246	0.062913604	273.11215	191257	199036	156784	201251	231361	185381	98699	165142	206519	246418	227872	105090	226116	193483	145135	173890	128626	296705	230963	328534	320310	236252	165070	198256	148246	220060	92546	255933	166300	141026	147813	159618	196045	170935	307085	153300	214429	123808	126069	239804	222792	162780	44605	31979	35903	179351	152581	29207	155704	139577	196712	188613	205907	30833	226273	182054	138467	176752	137271	113444	179073	157930	226820	175035	117466	260075	189370	136619	179564	248227	259352	159948	128907	128524	91095	143952	32660	121681	177032	168854	147393	128406	117421	163081	196912	139631	183752	180061	172328	168586	229315	224695	216325	179386	248284	38994	166518	194264	173733	223969	219859	200447	118246	175134	131730	168398	167816	28005	134950	267428	Phytochemical	0.25	1.0	0.0
18	C13 H20 O4 S1	273.1155	273.1158	-0.08730184	273.11548	3618	3706	2657	2553	7492	11014	2153	2810	1261	2913	2433	0	5489	5045	1599	5596	1621	10106	6422	2781	0	0	1814	3128	4383	0	3394	2211	4161	0	3466	2496	3211	0	0	0	3789	1980	2268	1255	1989	2604	0	0	0	1637	1359	0	3548	0	3223	0	8351	0	0	1618	1694	7615	4916	2523	5320	0	0	1266	2734	9733	8505	2524	0	0	0	2842	2240	0	2102	0	0	1642	1716	5137	1216	0	3086	1382	3360	3337	4876	4307	6245	2860	38183	21852	4294	1970	2785	0	5108	3459	2346	0	2857	4670	0	5765	2118	5931	5652	0	3313	2667	Organosulfur	0.30769232	1.5384616	0.0
14	C15 H16 O3 N2	273.12338	273.12372	0.017181443	273.12338	54170	62202	52603	59598	26228	29104	64398	61046	21445	41825	41533	53977	16121	21646	47063	83257	119673	33410	36567	47745	52998	70501	43873	100702	55022	44398	67469	38986	42694	51307	58349	69216	80456	48825	48912	50936	77129	41795	140075	54571	73613	34160	0	546	455	41361	40486	604	79001	59034	57664	54394	31393	410	16954	13750	25345	92758	18458	44277	58255	33640	17493	19324	22425	23553	32594	171294	32358	54248	74649	51821	36485	38043	71815	56140	562	42766	66128	43408	73336	28999	37462	38514	19416	19792	64116	50330	44390	200403	54899	51630	132402	36454	56169	776	60047	51540	16377	14459	13480	68618	43421	51154	0	83432	13346	487	80730	21869	Peptide	0.2	1.0666667	0.13333334
2	C15 H16 O3 N2	273.12338	273.12387	0.06569759	273.12338	21440	26395	20357	21341	13829	17052	19696	31861	11431	39689	33006	24568	10749	12566	24571	19242	30505	19823	23246	38574	56341	31427	25252	25176	13580	38550	9479	37523	33005	22507	27288	26358	37837	26892	47504	28415	31255	21682	33422	28097	33621	17811	453	324	352	17747	27132	363	26507	22098	19836	23313	17453	281	14558	5775	11052	27768	6564	17338	17359	15617	11691	12373	10182	15492	19772	38497	29193	46106	54943	26081	28328	23956	24117	24750	0	19680	30060	36033	22647	12307	11012	17397	9420	12287	28360	26102	21592	50272	21651	18179	41105	28190	26313	955	24348	25001	10064	6771	8510	25653	21417	23642	14409	28880	7853	0	20979	12219	Peptide	0.2	1.0666667	0.13333334
20	C15 H16 O3 N2	273.12338	273.1237	0.08961211	273.12338	8616	9320	8716	7774	5702	6188	6335	9995	1446	0	6540	6609	0	0	7559	13023	10146	5239	8467	6938	3752	11829	7156	22526	10454	6118	7330	7934	11689	9199	13830	7918	14914	11769	4909	8818	12789	7081	12683	5949	13595	9839	1085	652	787	4541	3161	608	15682	9356	9208	5840	6608	716	2003	1625	3799	18387	4228	9226	14671	2876	1729	2933	2372	2862	8006	16155	4198	4140	4643	8531	7839	6485	8314	10429	564	6840	7333	13883	7550	3170	5432	0	3385	3759	9759	11803	6640	25774	10967	11478	35203	8362	6182	800	6346	5165	1393	1905	2374	15316	8121	8376	3040	19564	2820	669	12839	2703	Peptide	0.2	1.0666667	0.13333334
18	C15 H16 O3 N2	273.12338	273.1237	0.07241474	273.12338	21369	18837	24366	21232	13702	14117	18842	23889	4843	20114	19864	14333	6411	8258	16098	39273	27129	11210	12251	18326	15325	34747	18974	52485	21131	13877	20558	18281	28623	18857	25200	28767	32098	46282	17883	17142	33884	13600	35160	18887	33640	12642	1084	707	636	16714	19333	986	35425	23029	23631	26758	15076	943	5905	3644	11317	30355	7081	15998	35119	10203	3208	4194	9138	14944	17334	33822	16632	9084	25486	36536	29049	10958	20789	24319	512	13268	31178	32590	17934	8424	11229	17619	3635	9064	28065	34745	20999	59065	41861	42673	58848	25994	20759	653	26157	23101	5250	5084	4762	33476	13044	17418	6839	39400	6161	568	22016	11269	Peptide	0.2	1.0666667	0.13333334
4	C15 H16 O3 N2	273.12338	273.12384	0.048913475	273.12338	31411	36118	32932	29940	18360	17250	17033	33845	17088	72283	46370	19120	16865	18967	24637	39415	41582	29092	30492	67638	85672	46383	25044	38622	25925	93197	21226	58435	27268	24401	27533	30219	37972	28458	72643	29874	37842	22104	44661	49014	59232	21702	888	458	398	38745	60429	728	34941	29039	31872	27413	21610	388	20735	11909	13016	32160	6096	19416	38858	31801	19192	16627	11541	20005	20275	42419	67347	99413	112155	23498	24055	23583	29958	26471	0	20013	35752	52025	27280	18018	12487	35043	15656	14566	33222	27724	23571	52835	42889	21180	57406	49964	84647	1037	31482	37371	13635	15301	14477	39312	20356	32024	21660	34532	10704	436	25222	19482	Peptide	0.2	1.0666667	0.13333334
12	C15 H16 O3 N2	273.12338	273.12375	0.032320242	273.12338	56987	68168	61606	61920	21324	21364	66018	62385	18748	52288	44762	44196	10607	12656	38793	87959	94614	26136	39035	70136	68433	67590	47413	97224	46843	53254	77341	36265	49455	59536	52940	64047	73219	55997	66182	48341	68028	40804	139283	54762	93362	33241	1008	455	477	51291	57267	895	76375	77443	58638	66623	30106	449	20479	10496	22544	75726	21409	38838	76714	29668	16152	15857	18034	27790	28323	124286	41638	61838	94638	58547	48965	47348	79837	59790	301	39344	65872	53132	62385	33980	32341	39759	12224	18883	70390	42446	39449	197337	52690	51808	128239	51483	61194	751	74965	74770	18961	10619	14282	74556	45334	50848	0	76282	15419	731	71550	21803	Peptide	0.2	1.0666667	0.13333334
6	C15 H16 O3 N2	273.12338	273.1238	0.001750094	273.12338	63751	67732	58649	64082	48411	36758	79393	61452	26806	117871	84498	35338	26403	30712	45025	82610	102106	43670	57697	107126	126087	73608	41702	81397	49951	96597	87717	87302	56734	48186	77578	51810	134936	46844	128151	40232	120150	48257	140012	52892	78328	34180	739	370	379	53327	71458	332	97999	46189	66571	60698	60959	501	23100	16856	21318	73168	9081	29581	70005	34091	24839	22302	19274	43900	46290	145728	71010	117370	146212	44050	31996	28307	47849	36018	258	37097	72953	61433	61907	25542	19958	48685	23086	27838	76089	74128	44278	145588	107834	81263	115046	60633	103058	701	68337	60557	25677	22368	23194	125756	39223	46657	18726	78121	27740	437	54166	34767	Peptide	0.2	1.0666667	0.13333334
16	C15 H16 O3 N2	273.12338	273.12372	0.05388642	273.12338	41420	34548	33770	36814	18722	21900	35509	40637	13500	28651	28785	27439	6954	13937	29022	56584	60321	23466	23116	26425	25540	48997	36170	61491	29049	28665	41030	33371	36281	34794	37012	47376	50931	39440	28614	37951	55415	26807	61878	26232	53112	23909	1039	495	672	26084	27323	1171	47852	37618	34427	33317	21589	694	6168	9416	15554	51599	17503	24412	39422	22032	13173	9955	11355	16270	21111	63859	29606	29125	49259	36621	32139	25332	48430	33067	476	25342	43214	39050	30503	16932	21994	27400	9907	14432	46201	40743	25056	110721	37957	34349	83168	33065	33299	835	37278	31831	10990	10292	10278	49546	25038	35970	0	49931	10317	395	47026	12127	Peptide	0.2	1.0666667	0.13333334
24	C12 H20 O3 N2 S1	273.12674	273.12732	0.17266974	273.1268	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3018	0	0	1756	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6285	0	4234	0	73532	0	0	0	0	0	4802	0	0	0	0	0	2875	0	0	0	0	0	0	7675	0	0	9406	0	0	5996	3591	2957	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3776	0	5419	0	1608	0	0	0	0	0	0	0	0	0	0	0	0	0	8006	0	0	0	0	Peptide	0.25	1.6666666	0.16666667
4	C13 H20 O6	273.13327	273.13376	0.016614182	273.13327	16796	14796	13340	13616	11980	7642	12498	18470	17738	3659	3739	11162	12962	4360	12688	18548	26440	15546	14980	4924	5128	18960	12878	15564	7000	926	6567	0	7917	12650	16872	14064	16598	5163	5527	15896	14612	11872	27294	3446	8552	5869	841	798	1021	5680	7005	927	8486	13968	14504	5936	11738	831	20652	15806	11510	16684	14144	11650	17578	1847	15066	7068	4569	12402	11722	28436	2130	0	0	5179	15364	19594	5061	14430	500	6715	10942	0	11208	10012	15422	2225	15360	12512	10826	9250	6210	15326	3263	5922	17898	2667	4086	1719	12428	16768	13406	20766	9764	24122	11766	8616	5069	15714	16430	768	8464	13440	Lipid	0.46153846	1.5384616	0.0
16	C13 H20 O6	273.13327	273.1336	0.07130448	273.13327	77427	81451	80567	85807	164243	152162	88251	82286	151622	38427	26745	38675	224363	198300	94009	68729	54907	251115	235946	64242	47002	29812	65786	35603	85542	8974	72831	159824	152593	99716	92977	131295	154457	131334	45417	131234	163738	62738	52563	26165	17355	105965	11526	3278	3504	30073	14177	3712	125382	65839	76658	91043	152489	4903	208160	113146	70585	108228	50839	20323	78525	16577	157165	121715	98524	174246	164014	48551	4994	16039	7709	83806	122362	141718	69258	110805	2531	59233	32400	44663	23941	26841	99334	41930	128526	99155	84777	78404	123238	25448	96462	98253	43083	20034	26324	5370	84333	100402	97250	110707	145216	149924	49524	56627	20103	59152	131449	3805	46727	203839	Lipid	0.46153846	1.5384616	0.0
8	C13 H20 O6	273.13327	273.13364	0.009335927	273.13327	79458	164516	70953	90528	154656	150825	205368	180968	159490	45284	30196	69322	217288	67958	149179	227291	219358	204674	252147	78587	65639	129284	63268	137276	106152	30108	161677	33820	260864	216880	88426	199005	199504	167524	61433	110508	199660	140235	225848	31979	30034	150232	8593	2261	2336	52102	56235	2356	226632	84976	161108	82268	134100	4155	252671	151368	108872	185346	118866	100704	111866	23360	181604	166911	66396	204255	147576	175520	15264	26014	31556	162780	204104	203710	81774	204482	1748	130116	75334	39888	53194	81496	340763	93866	188744	64306	165660	101180	145672	180597	54792	78574	196320	34728	56708	3885	80244	168403	61858	116290	141184	224381	131348	101716	31642	74516	102208	2500	107895	213169	Lipid	0.46153846	1.5384616	0.0
14	C13 H20 O6	273.13327	273.13364	0.04073564	273.13327	79816	74506	75335	81137	138734	122882	106566	81980	148546	41226	42320	47176	184483	132042	80957	83865	77488	210287	165796	67951	62554	38475	59261	43778	80697	16886	77465	68302	177104	115515	86400	131438	160216	118672	58787	129517	142521	70073	70406	26375	19753	100673	8973	2408	2835	32628	21557	3911	105813	65290	80480	76002	123210	3985	200897	121927	66289	116410	52291	26275	70758	15260	129755	119598	92097	166642	137579	61069	0	18638	12891	84543	109429	145264	81586	104892	1535	66305	48701	34477	37230	36212	97638	57671	125408	97753	72618	71125	111436	44928	97908	86504	49459	23194	35067	4946	77232	102203	92156	147700	169689	148189	58256	77811	23216	53353	123687	3790	51496	152873	Lipid	0.46153846	1.5384616	0.0
20	C13 H20 O6	273.13327	273.13358	0.07699844	273.1333	10645	11125	9598	8441	13305	13153	14129	7784	15639	3452	3500	5474	19323	13252	14625	7632	23361	17323	20009	2631	2392	2233	8752	4798	11985	1401	10948	82813	14229	12757	13006	13759	18823	13684	2617	10915	19187	7577	24472	1425	3142	12388	3828	2277	2003	4040	0	2046	13817	7169	7756	10063	15999	2398	21461	13421	8580	10709	6768	2958	10060	1588	9399	9552	9891	13995	12793	20415	1861	1839	2226	12614	14693	14639	7905	9909	1805	8587	6700	4668	5339	2752	13955	0	8849	9235	8170	7923	9573	4173	16964	13955	7105	2295	0	2231	11688	13469	7467	10154	10896	20104	8650	5404	6037	7484	8577	3192	5862	18921	Lipid	0.46153846	1.5384616	0.0
10	C14 H16 O2 N4	273.1346	273.13474	0.02954686	273.1346	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1571	0	0	0	0	0	1632	0	0	30811	0	0	22610	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.14285715	1.1428572	0.2857143
10	C12 H20 O5 N2	273.1445	273.1449	0.07040263	273.14453	14084	17779	20812	15294	9400	12786	11688	19702	9325	6117	4748	8222	10030	5431	14709	22365	24508	23829	17704	6763	6330	17048	16479	24571	17109	1655	12434	26493	16966	12663	13375	16021	23920	16474	8248	15508	24856	11881	22062	6259	2509	11757	0	0	0	10214	6078	0	17208	13585	16176	16927	11830	0	16701	8772	5537	27783	8558	8019	24344	2905	9350	8705	6598	14663	9355	27203	0	2025	0	19091	10542	13204	12422	13302	0	10394	16025	45932	10219	6918	9562	2287	11133	11093	19938	23218	17752	29179	99761	84018	41034	10947	12159	0	18124	18228	9127	5520	6470	25863	10970	12326	0	26743	9794	0	14757	18465	Peptide	0.41666666	1.6666666	0.16666667
6	C12 H20 O5 N2	273.1445	273.14493	0.007738593	273.1445	61000	65874	58775	59284	43168	39133	44466	63358	46263	22620	30781	32716	53835	17958	52000	84593	62318	73908	64357	23809	20296	63227	48794	83162	41917	1073	40205	54694	63465	51738	57201	64964	86659	67298	29952	57565	86479	45221	84172	9747	16888	40141	1396	0	0	30089	25836	0	71339	47736	66695	68423	45551	335	55655	25277	26532	90159	26441	29251	82688	6909	42721	40772	21330	53127	44309	85624	3893	5624	6318	57462	55960	51388	33416	47715	0	35633	52430	69156	36067	21496	24763	5951	32900	34725	74837	45288	50091	132990	481468	306677	129296	34892	35412	519	65072	57384	21809	33115	40639	83291	37744	35377	12969	77295	38460	0	52330	82036	Peptide	0.41666666	1.6666666	0.16666667
14	C12 H20 O5 N2	273.1445	273.14484	0.15644182	273.14453	3101	4264	2307	3190	3312	2774	3428	7056	0	2852	1832	2524	2595	0	2295	2808	2538	3271	1630	0	0	0	3652	3369	5065	0	2253	20326	2935	4439	3333	0	5265	6288	2213	3537	5860	3044	4226	1239	0	3583	0	415	0	0	0	0	4983	3295	7243	2875	4251	0	0	0	3689	4635	0	0	0	0	0	0	1119	1889	3144	3928	0	0	0	4412	3802	2963	2806	2549	0	2433	2450	16173	1867	0	1642	0	1171	0	4782	4203	2469	6061	41454	28532	11289	0	2394	0	3439	3737	2185	1933	0	4267	1596	2536	0	4605	2033	0	4015	3314	Peptide	0.41666666	1.6666666	0.16666667
4	C12 H20 O5 N2	273.1445	273.14496	0.023424653	273.1445	53798	65230	57270	54810	38715	30702	37395	50264	46839	22405	19839	38463	61472	20777	43663	58418	82160	69001	57815	25984	19643	52274	40088	59069	32778	1863	41854	30849	45056	42579	45015	49572	63381	44274	26149	50391	62780	41423	100306	10826	15572	38793	3585	318	0	25938	25976	0	52776	49410	52564	44616	41173	291	51522	33785	28814	58050	31890	38150	62731	9243	51027	40704	24695	57521	28070	78435	4411	5270	5806	46835	45072	45388	28477	40260	0	36991	44768	102458	39726	22337	33345	6460	59683	40251	47924	44404	36377	84096	441570	261374	87924	32358	32373	826	45794	56143	37715	41908	42153	58117	43358	42172	18134	54880	50699	0	39157	83956	Peptide	0.41666666	1.6666666	0.16666667
12	C12 H20 O5 N2	273.1445	273.14487	0.09756499	273.14453	8824	11946	8583	10081	3908	5651	6159	6453	4211	3567	3597	3643	6070	3309	6362	11611	8530	5065	8163	5956	0	7363	5491	8866	8503	0	7147	28138	13100	7432	8211	14184	15547	10603	3370	6273	9525	5034	7427	1895	0	4512	536	0	0	3125	0	0	14144	6329	10727	8074	5605	307	6433	2786	3743	15842	0	0	0	0	2751	4175	3689	4153	4850	10024	0	0	2163	7782	7943	8426	5732	6526	0	5714	4026	33006	2658	3513	3223	1010	3857	5716	10057	7053	6534	13343	73556	53241	17971	8615	7341	0	9736	7693	4294	3543	1646	12491	4266	0	0	10675	5844	0	7524	8143	Peptide	0.41666666	1.6666666	0.16666667
26	C17 H20 O3	273.14853	273.14886	0.08545991	273.14853	93404	101809	78954	83342	89170	69866	54100	103704	80219	84541	80829	61642	99157	88062	74973	104891	79725	109705	127976	135511	122126	106967	68847	107809	83388	100067	57043	104690	111363	101337	88308	110258	123616	84095	108447	121999	131545	65356	84185	98315	79798	78217	14924	12671	17444	67693	50816	16451	105812	91290	91394	94834	87637	12060	89442	82266	66681	121567	66436	51785	111918	60334	90368	75025	43580	105703	96402	95818	82418	121362	115458	77342	77743	97253	59062	110520	15987	65537	94724	87014	63162	53211	70064	72991	95095	64401	98217	74551	79724	97786	118240	108493	146076	80622	94632	16803	91072	96868	79065	96038	100321	127344	76219	93589	53943	81422	74579	14008	69645	85813	Phytochemical	0.1764706	1.1764706	0.0
2	C11 H20 O4 N4	273.15573	273.15622	-0.043580923	273.15573	5622	5406	3651	4541	1572	14779	1614	2784	1415	951	6545	2224	1443	787	1787	5232	3262	2601	2324	1000	607	3101	3207	4575	3152	0	0	45552	1902	2544	3358	4647	5537	2448	598	3056	2915	1998	3721	387	468	0	0	0	0	713	747	0	3493	2497	4203	3516	1357	0	1218	720	1161	5351	614	804	3494	208	2272	1135	0	2169	1765	4333	0	305	0	1756	2820	2905	2970	2413	0	1821	2041	94338	1593	0	531	0	1071	1288	3081	2050	1782	9435	54325	14363	7643	17296	513	0	4152	4149	1505	792	679	3026	2279	1214	437	4942	1123	0	2378	2391	Peptide	0.36363637	1.8181819	0.36363637
12	C16 H20 O2 N2	273.15976	273.16013	-0.018086383	273.15976	7260	8771	7062	8163	2596	4890	4533	9073	0	12547	20598	2628	0	3275	4375	14935	10354	1645	2867	26877	23871	4217	2709	13715	11491	24566	6086	19627	9488	9139	6462	8483	11061	9025	11788	9374	9601	4197	9655	11471	8813	6467	0	0	0	11034	8144	0	9736	6057	6164	6114	3555	0	1162	0	1457	11392	0	0	0	3108	1331	1364	1842	2994	6642	11044	15927	18718	29731	9422	7496	6313	9056	8987	0	5979	5781	0	3322	3122	1433	14096	0	1251	7553	8142	3734	18720	13246	2629	14428	5459	14562	0	10133	6561	0	0	0	11086	5094	4473	0	13028	1484	0	9984	0	Phytochemical	0.125	1.25	0.125
4	C16 H20 O2 N2	273.15976	273.16022	0.010464303	273.15976	13462	14258	11518	12975	5290	11089	5824	20891	1630	11893	6685	9251	2213	3819	6375	24513	16012	11642	8359	14672	17961	9145	8736	27079	8807	10900	7177	10342	24719	12568	15910	20078	29588	17438	14249	20179	29808	7364	16378	10642	7310	9669	0	0	0	10417	7743	0	27844	17264	14157	11681	8801	0	1759	644	2965	15790	0	1925	19997	6555	2487	2422	1953	6532	6982	16715	6577	10198	12003	13519	13436	15090	22112	13850	0	8749	9920	15401	9457	1467	1840	9114	787	1792	9197	11258	11532	22262	15996	2328	23671	9555	17336	0	11377	11916	964	929	644	25322	8693	11063	3305	19128	683	0	8427	4330	Phytochemical	0.125	1.25	0.125
18	C16 H20 O2 N2	273.15976	273.16003	0.028883284	273.15976	5824	5008	2900	3358	1807	0	3980	3334	0	5917	8537	3496	1826	0	1743	9228	10151	0	0	4587	6305	9068	0	5423	3419	15559	4400	8275	8039	6226	3413	4790	6455	5583	3687	4096	7631	3371	11105	5764	17508	1771	0	0	0	5688	9116	0	4924	7506	4536	5034	2520	0	0	0	0	4070	1928	7841	4947	5743	0	0	1624	0	2293	9918	14275	9089	23204	4242	2838	3008	5755	5053	0	1274	4271	11838	3912	3356	2109	7896	0	0	3278	4472	1411	12640	5317	4835	9531	10222	10226	0	3204	6409	1344	0	1489	8012	4580	4494	2706	5408	1257	0	6332	0	Phytochemical	0.125	1.25	0.125
16	C16 H20 O2 N2	273.15976	273.16006	-0.006251472	273.15976	23628	30553	26104	17803	6490	6275	26947	34106	4370	11089	11819	25590	0	7068	14480	67765	199942	0	4523	15278	9831	11109	5496	46191	20697	20255	51027	16421	45574	44706	33194	65288	93032	61354	8297	60488	82447	14469	210879	10235	28577	12057	288	0	0	9783	10605	0	55894	46080	23539	28240	14303	0	1828	0	4287	56288	2462	11218	52875	8037	0	2833	7409	4176	10733	211756	14796	20873	36372	25580	35613	31462	87462	46366	0	18371	10299	14564	8865	3238	4282	12587	3024	5565	14584	38883	23037	125433	12189	6476	41039	13602	13819	0	20980	25400	7522	1330	2413	119819	20712	6081	0	105143	6185	0	19471	0	Phytochemical	0.125	1.25	0.125
14	C16 H20 O2 N2	273.15976	273.1601	0.025072882	273.15976	7816	11640	6939	12349	1964	3813	4664	15590	1434	6352	13453	9663	0	0	7034	14508	15492	1901	3052	16775	17110	6474	5678	21778	8614	39472	11686	12614	12770	12986	11400	18426	18343	16575	8942	13573	13746	6725	21190	13377	19454	7026	0	0	0	7153	11603	0	14955	15536	8828	8602	4278	0	0	1640	3526	15804	0	7132	0	5561	0	0	3915	2866	5419	29335	15920	33146	46882	17890	15140	13002	15061	12718	0	7670	6085	0	8232	6446	5450	17100	0	0	8795	9996	6678	51825	11274	2571	27413	6690	12905	0	8354	9529	0	0	1106	15782	8839	7522	0	18866	2464	0	8252	0	Phytochemical	0.125	1.25	0.125
10	C16 H20 O2 N2	273.15976	273.16013	0.018045835	273.15976	16536	15358	13701	13295	2428	5181	8453	27676	1742	27382	25591	11226	1595	3484	8912	33356	17283	3392	4771	36950	34540	6878	9998	30839	17753	31408	11345	33148	22974	19287	20929	23922	23183	19769	18804	20178	22478	8979	13660	17477	12320	11997	0	0	0	12850	14006	0	26865	21399	14817	11798	8263	0	1106	1830	3450	24551	0	2269	22969	5327	0	2029	3342	3849	10444	27555	20739	29776	36278	21174	19455	16294	20621	19361	0	12725	8684	9750	9844	1318	0	15302	1525	1263	9035	14244	8699	34648	19481	2376	35131	13616	24704	0	15791	16204	1719	1269	1477	22328	10964	7921	0	28626	1509	0	10161	0	Phytochemical	0.125	1.25	0.125
6	C16 H20 O2 N2	273.15976	273.16016	-0.024616364	273.15976	13324	12761	11505	12207	3529	5262	7516	17360	1543	20282	14655	6828	1499	2704	8990	21975	15832	3005	5560	23493	25484	10866	8174	21797	10323	16125	8780	14561	13680	12323	16002	18240	18410	13876	20022	15225	18512	8595	17536	12481	11593	6070	0	0	0	9431	13733	0	17173	15706	12092	12641	5704	0	1210	488	3212	16277	0	2738	17419	6936	1435	1479	2608	4252	4911	28336	10992	18415	20486	12739	13898	11795	14804	11100	0	7914	7929	13471	8303	1975	1238	12558	643	5841	12529	9300	7073	31663	16312	2389	26133	12220	22059	0	11429	11930	50188	721	1100	19014	7646	7999	0	18064	1150	0	9369	1549	Phytochemical	0.125	1.25	0.125
8	C16 H20 O2 N2	273.15976	273.16016	0.008455291	273.15976	14540	16218	14001	20129	3407	7302	8998	28071	2639	23809	18818	12943	901	4203	13675	26658	25389	3497	6100	35639	31044	9139	12665	29697	24209	24188	15488	28627	25609	22706	23749	23381	27181	27656	23868	21439	31136	11310	24576	20435	8866	11182	0	0	0	15679	18689	0	35206	27131	17257	14891	8187	0	1835	0	4280	25664	0	2565	26384	7129	884	1833	4684	1914	11848	33154	12859	24703	27857	28903	24148	18112	21257	21743	0	12521	13487	15238	10123	1471	921	19983	1850	0	9983	11936	9786	43014	24956	0	44191	12389	28055	0	18925	16286	2872	762	0	20555	13224	8611	0	29528	2076	0	17071	1158	Phytochemical	0.125	1.25	0.125
16	C14 H24 O5	273.16965	273.16995	0.015123372	273.16965	3937	6540	6295	4512	3713	4439	42258	10528	1786	1673	2748	3713	5008	22086	7122	10683	14147	4006	4844	0	0	2426	4674	5991	6604	11643	34344	5010	11392	9292	7594	9312	7446	6759	0	12873	10194	6132	14850	0	1403	5207	5794	1004	756	1413	0	1338	10049	3857	3756	3189	3394	3449	1849	2164	3566	8541	0	2026	8187	0	3395	0	15639	7013	12445	7807	0	0	0	7486	9123	11068	11417	9174	856	5232	7945	18420	2390	2784	77006	59529	2857	6381	11188	5406	3562	0	6363	8490	0	4111	0	3150	7264	10376	6336	2579	3044	9163	4031	3215	0	0	2679	1076	6528	4259	Lipid	0.35714287	1.7142857	0.0
22	C14 H24 O5	273.16965	273.17	0.124476604	273.16968	5700	4568	7057	7534	7696	6334	17784	5783	3733	2740	3572	4877	2674	25462	6335	5029	7874	3197	4779	1747	1739	0	3760	1495	4845	0	16048	24588	10738	8178	5675	4976	10524	7792	0	9639	12760	6683	7804	0	0	17756	12262	0	1364	0	1228	0	9139	5652	6362	4390	3129	5423	2898	2182	4259	6065	3126	1973	4701	1151	12300	2101	11965	10626	8087	5884	0	0	0	6293	6013	8823	10168	5236	1623	5470	1418	29414	0	1912	17761	8885	1532	4482	3066	287730	5210	4607	39136	31599	0	2628	1987	0	6699	8401	5327	1700	2138	12202	5852	2283	5077	4928	3417	0	5874	6169	Lipid	0.35714287	1.7142857	0.0
14	C14 H24 O5	273.16965	273.16995	0.06931809	273.16968	2274	2422	3982	2468	2277	1990	9500	6491	1844	0	0	1972	1514	7759	1892	4952	3788	1993	1791	0	0	0	2047	2468	3949	0	8119	0	5677	5842	3450	0	7929	4976	0	5421	5295	2339	7889	0	0	2764	0	476	325	0	0	690	5365	3464	3094	2841	1136	676	0	919	2922	4222	0	0	0	0	1999	1878	5821	1298	4424	6125	0	0	0	2526	7557	7714	4459	5871	463	3129	0	0	0	2176	22374	20434	2264	0	3744	0	1827	5514	3993	2809	2382	0	0	689	3077	3068	1234	2610	6010	3506	1749	0	0	2764	0	496	2916	0	Lipid	0.35714287	1.7142857	0.0
18	C14 H24 O5	273.16965	273.16998	0.06461214	273.16968	6456	7442	7155	9911	8773	4942	64160	9680	0	0	1386	3778	1830	95048	7575	9347	9195	2957	4591	0	0	0	3760	6483	3740	17431	49896	19475	11960	8334	7492	10839	13707	10035	0	13547	7795	5356	13469	0	0	8225	12367	880	1358	3183	0	1169	10725	5987	7102	5616	5462	5919	1668	2879	4580	13187	1836	1278	14535	1276	15919	2176	29140	11978	21323	11127	0	0	0	8617	10806	18142	11645	9226	940	4264	5821	34727	1745	5034	166188	87165	1946	8323	6151	9367	6281	8815	27063	16528	8072	3206	1636	2685	8069	10764	3977	2226	6051	10408	5092	4753	4416	5642	2910	1166	6306	4602	Lipid	0.35714287	1.7142857	0.0
4	C13 H24 O4 N2	273.18088	273.18137	0.05435919	273.1809	9236	8601	7640	7929	8144	9184	2684	8976	4377	3530	1767	2725	10154	3663	5761	11302	3410	7035	7927	4974	4952	16241	8613	9185	7597	264	3612	3551	7308	4025	7330	9528	7058	7256	8204	6823	8059	5324	7098	2059	1820	4197	0	0	0	7358	11174	0	7906	3527	7708	6921	6697	0	8573	2002	1423	16174	1571	1936	12204	1013	8525	4902	1266	7990	5165	5483	0	1456	0	6112	5008	6912	2833	5107	0	3011	14471	7893	3894	5412	2119	1296	4244	3210	66881	4282	4476	61117	29044	21660	28987	2036	4359	0	7259	8470	4073	4074	3630	6939	3273	5226	5962	10577	4251	0	6804	12065	Peptide	0.30769232	1.8461539	0.15384616
12	C13 H24 O4 N2	273.18088	273.18118	0.014659457	273.18088	0	1724	0	1347	2885	0	0	1944	2531	0	0	1020	1444	1477	1380	6702	0	1223	0	0	0	0	0	4546	2093	0	2065	0	3282	2414	1524	4877	2918	1898	0	1532	1809	1117	1817	0	0	1457	397	0	0	0	0	0	1250	2202	2407	2150	1176	0	1922	4328	2914	6956	0	0	0	0	0	0	30731	2341	1626	3937	0	0	0	0	1414	1720	1788	1149	0	1542	1435	0	1541	0	0	0	4692	28713	2922	3189	1082	4441	3801	0	4338	0	0	0	2539	0	8841	1643	10391	1689	1492	0	0	3760	11698	0	1439	1789	Peptide	0.30769232	1.8461539	0.15384616
10	C13 H24 O4 N2	273.18088	273.1812	-0.0355492	273.18088	4430	3728	4781	4001	4267	3555	2950	2857	5528	1318	2525	1573	5102	3943	1900	9303	2674	3491	3756	0	0	2643	2671	7925	4961	0	2925	12671	2740	1992	2335	3980	1584	3733	0	4185	2914	4646	4883	0	0	2188	0	0	0	1908	0	0	3073	2029	2846	2317	4342	0	7446	3241	1964	10656	0	0	0	0	5224	3835	12199	5378	2845	1873	0	0	0	1775	3894	0	2967	1981	0	1565	3448	4781	2548	3569	0	0	5550	26592	10534	2295	2271	8723	26268	10128	7643	0	0	0	3349	3696	5303	3745	13170	2673	1080	0	0	6162	12643	0	4505	4505	Peptide	0.30769232	1.8461539	0.15384616
14	C13 H24 O4 N2	273.18088	273.1812	0.16437425	273.18094	3853	2248	3516	1866	2956	1695	0	1485	0	0	0	0	0	24344	2275	3168	0	0	4148	0	0	0	7849	13710	4709	0	1065	0	1424	0	1294	0	1465	4278	0	2866	0	1734	0	0	0	3417	0	0	0	0	0	0	0	0	2575	0	5271	0	0	0	2116	17440	0	0	0	0	1408	2060	1899	1347	11186	0	0	0	0	0	1530	0	0	1270	0	1952	3024	0	3395	0	0	0	0	36499	4911	2600	14289	3538	6410	5524	8272	0	0	0	2190	0	1687	0	0	0	0	0	0	3098	1444	0	2629	0	Peptide	0.30769232	1.8461539	0.15384616
8	C13 H24 O4 N2	273.18088	273.18127	0.06568555	273.1809	3506	4598	3127	4276	9215	4397	2823	2255	2192	1194	1969	1383	4457	2756	2211	5012	4991	3008	2911	1246	0	9333	2353	6710	3925	0	2240	0	2981	2757	1770	4293	2528	3334	0	3435	4430	2270	5047	0	974	3828	0	0	0	2072	1653	0	4112	1199	3420	3928	5234	0	1664	1181	3625	7691	0	1242	4202	0	1882	940	0	14390	8510	7812	0	0	0	1100	2747	2798	3342	2235	0	817	9578	4519	4400	596	1028	0	1070	0	8270	3176	3782	15100	33295	21397	27485	0	1340	0	2150	4398	2864	2530	0	2875	1397	0	0	4964	6570	0	3943	2943	Peptide	0.30769232	1.8461539	0.15384616
16	C18 H24 O2	273.1849	273.18524	0.02725412	273.1849	50046	56343	53335	60495	42722	29870	77646	63531	29650	27119	33618	55189	24362	35208	50583	90716	155926	32171	52168	43204	37428	51917	52404	63469	60313	46362	95033	26129	54411	72319	52753	67884	64079	45225	30334	75477	66829	51153	154989	39131	51669	36528	4039	2564	2919	35365	50834	2975	70777	71219	56703	61964	41728	2516	38929	48069	43847	84544	38288	69872	69645	21788	39036	25049	39024	32377	43552	135389	42893	39883	55577	36359	48830	69014	117306	73976	1604	42282	88274	57010	57547	33730	67059	50847	61522	46306	101401	42826	47793	190883	68260	61132	77762	36320	35175	3474	59683	56077	45388	70552	92223	81862	39862	49491	20471	72152	52153	2175	80160	29701	Lipid	0.11111111	1.3333334	0.0
12	C18 H24 O2	273.1849	273.18527	0.037213884	273.1849	14442	10738	11747	10306	3833	3226	11539	5729	6712	2360	2815	5223	2696	4455	5411	13868	15827	3133	6826	4664	3107	15241	4211	12251	6568	5162	19802	0	9415	10419	7544	9739	7625	6971	4760	10019	7289	9444	15914	2310	7189	3850	1736	1933	1998	6420	9253	3341	10512	10484	11928	10572	5197	1439	3312	5571	5427	12790	0	8812	0	2121	2421	4243	4756	4133	5843	15432	0	3910	5099	4312	7747	12719	19360	12666	1503	5403	8553	0	8982	8232	9333	5968	5798	6196	13378	3538	5629	27726	8275	9277	13756	6087	8497	2049	12970	9252	4006	11118	10396	9141	8212	7415	0	9744	5132	1752	10203	3499	Lipid	0.11111111	1.3333334	0.0
14	C18 H24 O2	273.1849	273.18527	0.042061217	273.1849	22388	25299	18736	24468	13270	9139	31002	24950	7871	13055	14810	18773	11095	11040	21925	29860	49856	12596	12846	13647	12533	20362	18226	25562	24872	18889	30003	11057	20873	27728	21117	25737	22714	13371	9941	25781	17762	24730	56779	10469	12948	13194	0	1693	2034	16570	13916	3085	24229	19451	24428	29242	11755	1260	14025	20733	17218	35476	16974	25178	0	6221	11763	12512	13426	12486	16945	46815	0	13924	23177	11176	18419	25639	34957	21319	1628	14910	35038	16563	26270	17179	27875	15621	23123	16144	38514	12656	18399	73388	26823	23734	38875	11061	17947	2521	24208	20747	17411	28930	36033	25959	19665	21170	0	24641	17287	1803	39040	4150	Lipid	0.11111111	1.3333334	0.0
26	C18 H24 O2	273.1849	273.18524	0.05475166	273.18494	228061	226838	214899	217224	241415	135477	177879	254250	184516	159258	260143	151001	212752	249411	225813	299736	248680	196500	281502	265683	238786	237593	168513	227630	258802	269247	201018	313809	270554	259586	218244	270772	291890	212090	231912	317048	279801	205031	268432	206704	183258	1086924	15678	16865	23188	152097	142037	15346	257185	224893	226262	224797	215634	20495	216082	227375	183045	339466	159178	149515	277437	120093	153274	160134	125776	237915	277068	274009	198571	203403	191780	170611	220749	277638	188733	283065	20089	282517	233360	433824	172535	169721	203132	174452	206037	184627	353561	181413	179826	292001	317982	292347	283777	239622	213447	16893	223189	243705	208010	274956	285107	339017	165717	251353	159933	184921	210412	14606	268017	139434	Lipid	0.11111111	1.3333334	0.0
2	C12 H24 O3 N4	273.1921	273.19257	-0.040057722	273.1921	7562	7546	5839	5934	942	0	2469	4303	300	700	0	2681	834	653	3073	6474	2096	1130	519	0	0	15883	7357	25196	13575	0	1356	3366	4061	6414	7780	5591	7174	8104	392	5525	6375	2633	2153	0	0	0	0	0	0	4507	541	0	5924	3790	6199	6600	1516	0	404	332	475	14713	0	0	5015	0	884	0	0	1001	1492	6133	0	646	0	3989	5769	6049	1637	4011	0	3745	7179	9750	12610	0	0	0	0	1084	4687	1268	4099	34753	17090	9522	56717	1303	496	0	5682	5966	793	0	338	4335	2703	0	272	27251	402	0	5431	489	Peptide	0.25	2.0	0.33333334
0	C12 H24 O3 N4	273.1921	273.19244	-0.17247124	273.19208	0	0	0	0	0	0	0	2521	473	0	0	0	0	0	4438	0	2514	0	0	0	0	2135	20140	1828	0	0	0	3902	3925	0	0	0	3444	1449	0	0	0	5056	2410	0	0	0	0	0	0	0	0	0	1229	0	0	0	0	0	608	0	0	1954	0	0	0	0	0	0	6086	0	0	4080	307	0	0	0	1631	0	0	1507	0	0	32499	4865	46853	691	0	0	0	0	31493	5311	9598	8991	4135	2828	20042	0	0	0	0	1899	0	0	0	0	0	0	0	8582	0	0	7204	936	Peptide	0.25	2.0	0.33333334
24	C15 H28 O4	273.20602	273.20633	0.060355846	273.20605	15387	13847	16101	18652	9606	8406	91004	17635	2192	4472	18205	6977	5419	49806	8454	7695	49236	2497	3130	3901	8229	4168	2445	4660	0	8279	93516	84255	20280	8647	9387	19170	26554	6717	4604	8455	9407	6822	51537	3778	31891	114788	34723	8696	12979	10824	30187	7886	10772	10855	10947	13591	10920	28450	2269	2244	4259	8931	2936	42418	10775	3530	10659	6161	29287	9359	24985	59011	4565	0	15134	6660	8897	8405	10877	8708	14017	4295	3615	441266	2203	14178	24998	32379	5728	7322	3399	12888	15316	10693	143548	88978	3462	15181	5480	12519	16969	17117	7062	1513	8001	16288	5816	20439	24778	22368	3829	7099	3586	5664	Lipid	0.26666668	1.8666667	0.0
12	C14 H28 O3 N2	273.21725	273.21765	-0.01849329	273.21725	1702	0	0	0	0	0	0	2328	0	0	0	0	0	736	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	994	0	0	0	1753	0	1617	1587	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1980	1527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24954	3414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.21428572	2.0	0.14285715
2	C14 H28 O3 N2	273.21725	273.2177	0.056057554	273.2173	100118	97756	93623	86569	639	0	121132	1725	290	2011	2044	31627	854	1277	41102	3251	10028	844	782	743	620	707	1002	1958	93972	0	78540	2665	1094415	13243	1164920	195125	774662	217323	4811	120410	984631	32212	16476	282	0	0	0	0	0	0	0	0	1322735	924	89605	87496	1155	0	698	417	3752	5788	0	0	4064	0	1322	575	0	1710	1499	6917	0	242	0	2845	17579	10756	759548	46452	0	61889	588	0	832	0	0	1388	645	5568	1515	1542	669	6859	0	1035	5278	0	456	776	80635	103688	0	1077	1626	488705	60039	0	0	4565	686	0	50036	1100	Peptide	0.21428572	2.0	0.14285715
18	C14 H28 O3 N2	273.21725	273.21747	-0.072727084	273.21725	0	3182	3008	1553	0	0	0	3606	0	7823	34089	0	0	0	0	5284	4113	0	0	0	0	1784	0	2631	0	0	1491	211700	0	0	3493	4219	11193	6495	2757	4139	6583	0	4262	0	0	0	0	0	0	0	0	0	3280	1284	2154	2863	0	0	0	0	0	3953	0	0	3619	0	0	0	0	0	0	7611	0	0	0	1559	2875	1384	2907	0	0	0	0	0	1491	0	0	0	0	0	0	0	0	3177	0	0	4219	0	0	0	4698	0	0	0	0	12190	1268	0	0	5301	0	0	0	0	Peptide	0.21428572	2.0	0.14285715
8	C14 H28 O3 N2	273.21725	273.21768	0.12934162	273.21732	10696	8734	7658	10106	2732	2027	2511	3936	1366	0	1007	7433	1256	4407	2093	39334	1510	813	1770	1005	1621	25680	6650	123682	3327	0	1713	0	3384	2350	4267	5141	6667	5386	0	3369	4126	3748	1687	0	0	741	0	0	0	19230	0	0	5477	1522	9113	8793	1131	0	1130	1077	0	42010	0	0	29885	0	1008	902	0	4363	1191	3994	0	1513	0	5433	2574	2517	1923	2987	0	10577	31911	0	10012	733	0	0	0	0	58823	2118	1089	72657	18695	0	70775	1437	0	0	8193	6436	0	0	0	3733	7845	0	0	45100	0	0	23588	2452	Peptide	0.21428572	2.0	0.14285715
6	C14 H28 O3 N2	273.21725	273.21768	0.080237694	273.2173	2356	2888	1595	2602	1680	3485	963	8624	476	0	0	1258	5271	22725	3680	6889	1275	0	848	0	0	1420	671	6914	16631	0	679	0	3134	544	7469	1661	1830	2555	0	1940	1598	908	1127	0	0	676	0	0	0	0	0	0	2215	2551	1586	1796	1120	0	1122	883	454	7308	0	0	6330	0	1014	0	631	5398	1447	3237	0	0	0	1219	1472	990	17367	1657	0	1798	4544	7516	1488	0	0	0	0	1146	8301	0	1488	8423	0	0	10863	0	0	0	2717	1824	2764	483	789	1949	2406	0	0	2375	1276	0	3613	1530	Peptide	0.21428572	2.0	0.14285715
4	C14 H28 O3 N2	273.21725	273.21774	0.13308239	273.21732	9149	7929	8185	7514	507	430	9700	23290	0	0	0	609	821	1146	678	5713	2173	709	532	0	0	0	1114	552	918	0	5127	0	18229	35471	794613	1719	15398	1020	1152	3981	17126	582	2063	0	0	0	0	0	0	0	0	0	49047	54463	7908	8794	453	0	0	0	0	2301	0	0	5470	0	1153	314	0	580	709	1542	0	0	0	6655	1174	1600	4114	4067	0	1252	616	0	1721	0	660	0	0	593	1353	585	1051	1366	2594	0	1073	0	0	0	8256	8205	0	0	0	13112	719	0	0	789	0	0	624	922	Peptide	0.21428572	2.0	0.14285715
20	C19 H28 O1	273.22128	273.22162	0.07025265	273.2213	4538	6219	2830	2662	1620	0	11121	2759	0	0	0	4677	0	4292	6026	8676	15437	0	2047	0	0	2307	2953	6505	7558	0	7900	1857	3482	3759	1977	4346	3154	3397	0	6720	3618	4667	19072	0	2044	1388	0	0	0	1872	1626	0	3410	2808	3396	5517	2933	268	0	1515	3783	7759	1822	5709	5411	1238	1645	2171	4706	2538	2440	18209	1564	0	0	0	2016	1325	14510	4513	367	3226	7094	4807	3967	3083	3046	0	2596	3267	12683	1480	2749	44057	6546	4401	9672	0	2540	0	2488	4036	3021	3486	2516	4442	2527	1929	1471	6666	3189	0	8833	0	Lipid	0.05263158	1.4736842	0.0
22	C19 H28 O1	273.22128	273.22162	0.00570924	273.22128	19128	19931	14828	14444	9967	5750	38243	20160	6010	2808	8971	12374	3469	17898	15088	26707	60910	8046	9321	5240	4882	10311	14065	19049	28379	8100	36917	10634	15418	17306	9610	18864	14774	14239	4851	19787	11270	19129	64973	2430	15139	10799	0	0	386	5106	13390	0	16122	17502	16402	14504	13681	993	14214	18032	13441	34326	7589	17713	26288	2637	9098	9160	17105	8381	18180	60759	6748	8703	7226	8195	7726	19553	49456	16871	660	12148	29602	18998	18237	10402	17429	13663	16622	13409	53022	13790	12215	114413	25806	19760	33896	8612	8497	0	14260	17092	14213	20642	21275	22519	10734	9923	8597	18531	14351	0	38684	4610	Lipid	0.05263158	1.4736842	0.0
26	C19 H28 O1	273.22128	273.22162	0.039646138	273.2213	58586	57129	54192	55455	38059	26451	70386	66504	32470	27261	59358	46329	34221	55514	54773	107790	107755	23963	47876	41074	40994	60472	41734	68501	73612	103943	80898	72579	64257	77686	50933	73682	55548	39038	33843	92790	46880	63903	113448	39340	65487	49898	5480	0	0	40552	63973	0	52275	77233	61370	61013	39520	0	43225	51450	39998	108974	36839	63503	86374	29152	25214	32987	37307	39839	77021	130461	80488	57210	73733	31525	40505	68323	98621	61664	0	39103	91268	91361	52164	61212	60149	57574	47830	47638	268974	33829	43876	441822	88124	82675	114805	58701	51344	0	58999	69364	50136	89727	104180	92908	41240	59209	48529	63192	54899	0	103568	19586	Lipid	0.05263158	1.4736842	0.0
24	C19 H28 O1	273.22128	273.2216	0.024932282	273.2213	43206	48344	41163	43736	30140	20280	85057	51632	22100	17542	30920	31409	19860	47645	42173	93102	117345	21465	38860	24854	26647	33361	31293	45339	58799	43705	82203	37863	39762	52329	31531	46421	38825	35890	15164	59668	34050	45829	119417	20779	39395	27854	0	0	0	28551	42518	0	41244	62526	45270	45898	31108	0	32728	30480	29241	81886	20900	42282	65152	20690	23721	20984	32358	31818	53378	113465	35206	30191	47462	28892	28502	46129	114485	47917	0	27499	66315	58729	42195	31769	41776	38779	40209	33169	136591	29312	37775	264146	68725	60386	75849	31578	37683	0	37933	43887	39826	34892	46836	48630	28019	37132	27607	51311	35937	0	87542	14078	Lipid	0.05263158	1.4736842	0.0
10	C13 H28 O2 N4	273.22852	273.2288	-0.010725056	273.2285	48359	32693	53849	47377	0	0	124288	51597	0	0	21864	148903	0	0	58855	187077	6200	0	0	2504	1790	14836	523064	1624392	195003	0	15670	109365	34440	6936	24405	251844	46039	1158716	0	380262	51304	66982	7232	0	0	0	0	444	0	126873	3266	0	12855	15122	50651	44136	0	0	0	0	0	312736	0	0	125410	0	0	0	795	0	0	21686	0	31560	0	15267	129642	18884	2890	9403	0	260431	297567	75498	213980	1324	0	0	0	2192	55058	1181	0	671118	58426	0	2313101	5352	2930	879	54745	59057	0	0	0	0	178008	0	0	1473038	0	0	91227	0	Peptide	0.15384616	2.1538463	0.30769232
8	C13 H28 O2 N4	273.22852	273.22885	0.03286047	273.22852	2983	2408	2820	2516	0	0	127329	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	81479	0	2522	38597	1479	0	0	0	0	2393	0	0	0	0	0	0	0	0	0	0	0	0	147347	0	1108	2651	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11941	1968	23455	17990	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2777	2045	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.15384616	2.1538463	0.30769232
12	C13 H28 O2 N4	273.22852	273.22882	0.11461657	273.22855	83035	91810	91354	90141	0	0	5588	0	0	6353	12526	0	0	0	0	0	0	0	0	0	0	143000	11389	0	0	0	43818	0	0	0	1595	657560	157882	41360	2146	1656	38203	0	0	0	0	0	0	0	0	87590	0	0	2970	0	88605	73965	0	0	0	0	0	467144	0	0	26404	0	0	1138	0	0	0	43007	0	0	2521	0	21833	0	1924	13471	0	2112	23284	0	168869	0	0	0	0	0	25477	0	0	312457	9737	0	200372	2905	0	0	73881	63368	0	0	0	22725	55781	0	0	29079	0	0	3000	0	Peptide	0.15384616	2.1538463	0.30769232
2	C13 H28 O2 N4	273.22852	273.2289	-0.092620395	273.2285	1693	2155	1946	1802	0	0	0	10798	0	0	0	0	0	0	0	6477	1675	0	0	0	0	1150	2456	2216	4000	0	0	0	2433	2642	687	2064	2327	996	0	1925	2025	0	21038	0	0	0	0	0	0	379	238	0	2213	511	1867	1942	0	0	0	0	0	6864	0	0	8626	0	0	0	0	0	0	11966	0	704	1389	1396	5095	2641	760	996	0	0	608	0	2685	0	0	0	0	0	415	580	0	21847	0	830	4256	0	0	0	2466	2044	0	0	0	0	0	0	0	15874	0	0	645	0	Peptide	0.15384616	2.1538463	0.30769232
0	C13 H28 O2 N4	273.22852	273.2289	-0.022933066	273.2285	1944	2180	1590	0	0	0	0	8681	0	0	0	3772	0	0	0	0	0	0	0	0	0	0	0	2473	0	0	0	0	35795	17216	32290	11261	50347	9338	1406	10595	16111	0	0	0	0	0	0	0	0	0	0	0	5605	3827	1771	2264	0	0	0	0	0	3798	0	0	1630	0	0	0	0	0	0	0	0	0	0	10931	29379	20174	0	35273	0	12776	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1890	0	0	0	8783	5367	0	0	7081	0	0	0	0	Peptide	0.15384616	2.1538463	0.30769232
26	C20 H32	273.2577	273.2578	0.13689822	273.25772	0	2100	2215	2025	0	0	60057	0	0	0	5662	0	0	17933	0	0	0	0	0	0	0	0	0	0	0	6958	64369	13111	0	0	0	0	0	0	0	0	0	0	5070	0	3651	0	0	0	0	0	0	0	0	0	2648	0	0	0	0	0	3155	0	0	5807	4468	0	2437	0	25833	0	0	3230	0	0	3342	0	0	0	0	0	0	0	3135	5789	0	3915	6158	8072	0	0	9364	0	0	13114	4652	1880	0	1917	0	0	0	0	2640	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	1.6	0.0
12	C14 H11 O5 N1	274.07098	274.0714	0.11874214	274.07104	43636	44193	34657	44809	49016	27874	27453	30176	44540	45804	41836	22374	57374	22272	26218	46719	45581	64208	73572	40708	51657	76246	34968	45514	27772	25913	20502	24192	24900	22346	21491	26042	47667	23028	59820	21935	43136	27470	53786	38691	81880	31497	1657	770	1114	37203	46593	1112	32924	27289	44803	36214	40093	944	54389	35338	24616	45131	20632	33325	33257	30368	76255	49429	22103	67160	33036	42629	31701	48070	69990	20016	17106	14494	31461	21445	658	19425	57495	47797	39466	26463	23574	26554	50285	28238	53381	45721	38875	110141	32450	42273	76622	60732	65877	1036	40855	47197	31952	46831	36587	46134	23989	30939	0	49284	32299	571	32670	79327	Phytochemical	0.35714287	0.78571427	0.071428575
6	C14 H11 O5 N1	274.07098	274.07147	0.14525516	274.07104	9964	13688	8890	9240	18778	7433	4723	6012	19859	14180	11450	6387	26856	7027	8729	9360	7051	17830	22521	9133	15001	13954	9436	9650	2979	4087	3312	6025	5003	3881	5254	6128	10935	4935	14439	4842	9312	7135	11081	6215	11831	7984	0	431	600	5556	10002	493	5806	5744	11031	12398	10730	736	19558	17169	8108	8734	2981	7627	11140	7220	27452	16402	4314	18343	8133	11126	8584	6702	11579	6583	4133	3616	3606	3663	417	3945	9842	6271	7873	4328	3251	2444	19178	7276	8741	10980	10836	17269	5443	8411	16188	11183	13951	645	10086	11097	12159	24919	23202	12049	8087	7449	6926	10848	10818	377	5292	30077	Phytochemical	0.35714287	0.78571427	0.071428575
8	C14 H11 O5 N1	274.07098	274.07144	0.1590458	274.07104	16295	19779	14896	16398	22737	12090	6645	9749	28705	20213	18020	9735	36218	10454	9145	20355	13599	26704	37013	18750	27533	26051	13846	17848	5708	7624	10188	10284	8978	7543	9131	11971	17615	8614	26293	6852	13612	9791	19907	16198	30671	13920	748	415	586	16329	19024	646	14363	8011	18070	15081	17548	548	33154	23509	12528	16970	6483	13748	15092	13184	41068	25669	10314	33621	12271	22656	17886	18942	31400	9749	9499	5416	7829	10895	478	7279	22288	9006	14797	10223	7724	7452	26218	12394	22900	18849	17231	34455	13310	17812	31930	23104	22010	1243	19131	20150	21152	34283	28211	17608	9835	11820	0	16279	19294	410	11622	44574	Phytochemical	0.35714287	0.78571427	0.071428575
14	C14 H11 O5 N1	274.07098	274.07138	0.08638739	274.071	61377	54751	50644	52805	54953	47259	35301	40330	47315	61322	71290	27193	61827	36315	24683	53199	50827	84230	80380	43969	65205	95751	36243	51750	26271	36000	37029	42964	32613	21709	28189	33525	54442	34657	78314	26850	48956	31571	61184	70536	122637	39592	0	646	886	44535	60861	1214	42307	25213	50940	46157	50330	1427	43662	32249	33635	75516	21294	47051	54101	44340	68318	45659	22368	67178	37293	58613	51212	43371	69625	32628	25933	14974	31771	25012	707	24424	67210	97909	36894	40677	27613	36377	50215	28055	68427	64101	41750	133715	63864	56705	90112	96492	96861	1804	46891	46052	33716	53049	38608	53642	25157	37584	22092	55490	25771	835	40528	62832	Phytochemical	0.35714287	0.78571427	0.071428575
10	C14 H11 O5 N1	274.07098	274.0714	0.11851679	274.07104	38408	38003	31400	32916	47023	21760	21810	27054	46687	38176	33756	22688	68297	17038	22424	48784	33213	54812	61284	35521	39547	51484	32153	37246	17246	14537	20352	17197	19474	16614	22910	23565	41302	19668	45967	16969	36718	19137	42457	33080	61357	29486	1291	567	914	26153	43735	964	28669	21721	33120	35184	34719	938	48944	36883	23456	46689	17411	34218	39514	25642	56082	42267	17782	56280	25965	39907	30357	26641	40909	23639	17493	11147	27179	19977	556	15188	50260	35639	34074	28101	19740	13355	41459	24828	45806	38799	32801	85951	19809	30491	67230	39070	43602	1064	36650	35042	31103	49048	48144	33083	18859	28285	15094	39567	27997	657	23714	76827	Phytochemical	0.35714287	0.78571427	0.071428575
16	C14 H11 O5 N1	274.07098	274.07135	0.10833445	274.071	37017	43424	39721	36450	34913	27822	27749	21033	28673	41181	36800	24576	34834	21806	23012	44380	40954	57891	57241	22807	37991	64678	30714	41414	20662	19352	24884	30471	21113	22424	23153	23586	47558	24576	50467	19543	46989	25971	50189	40992	79091	26707	1995	1233	1409	27501	40055	2067	35729	27431	35805	49629	33316	1531	28488	22122	19897	48051	14668	40574	40046	31387	54956	31824	17859	50400	36325	51651	22105	22910	41995	18754	19344	12078	30007	19669	1017	18181	58323	87137	29025	28055	25453	32617	33634	24167	54159	41293	35082	93240	46289	52433	73737	75543	65198	1639	34353	35715	24079	34287	29121	42418	17634	29281	16898	47073	24394	1184	33032	60665	Phytochemical	0.35714287	0.78571427	0.071428575
20	C14 H11 O5 N1	274.07098	274.07132	0.063189276	274.071	10673	8316	7004	5323	6940	9420	3672	7590	8512	11535	6736	7935	10286	5455	5487	12298	14042	12462	15036	5682	7647	15612	6219	15186	4652	6052	4666	7043	5350	4850	4759	6877	12594	8944	14851	5093	13792	6829	13655	8420	20767	8235	1146	1413	1333	6986	9662	1529	7104	5220	8597	9352	8086	1628	5084	5822	6867	17609	3030	10140	11737	4327	16988	7644	5466	13185	9904	14441	5728	5295	18297	6819	4803	2338	5866	4738	806	4722	12429	19996	9882	8031	3945	8442	6678	5254	13758	14061	11404	32820	11901	10663	22980	15907	14387	1477	14471	8499	5258	8782	8292	9252	5802	7402	4033	21072	3331	1869	7866	22509	Phytochemical	0.35714287	0.78571427	0.071428575
12	C11 H15 O5 N1 S1	274.07437	274.07477	0.061452594	274.0744	14120	15941	15795	15393	10547	14114	8603	4687	10266	23865	12200	7077	11837	6025	5369	10998	5164	17979	11732	19096	15205	25506	5308	7459	6909	1235	8327	0	7852	6862	5256	10105	9919	10007	18587	7522	14433	3272	7456	26266	28794	5716	0	0	0	16385	19610	0	7989	3573	12871	17711	10728	0	9622	4513	5739	19181	9601	13671	0	11899	6322	6269	3862	12649	6798	7143	0	2799	4202	5657	3319	4321	7301	8582	0	3913	3613	0	3496	13414	12182	7367	6378	5781	6558	10510	9160	7097	46197	62759	11188	17849	38755	0	11985	14100	6263	7807	6892	17388	5346	19844	0	8988	11585	0	7971	16899	Organosulfur	0.45454547	1.3636364	0.09090909
14	C11 H15 O5 N1 S1	274.07437	274.07474	0.09856463	274.0744	10677	10851	8066	7922	12199	11404	6110	3770	11717	13058	4739	4652	13964	6058	2211	5066	5644	13923	7093	7735	5937	10534	3282	0	7464	1619	4076	0	3804	3337	3750	6429	7294	5012	9555	2680	8673	4812	4713	11211	10028	4082	0	0	0	6038	7232	0	5055	0	9010	8959	9520	0	7303	5011	5306	8103	6534	10402	0	9615	3859	5485	4153	5703	4094	6782	0	3139	2764	1786	4422	1838	4025	4096	0	4463	3030	0	1836	5992	7000	6086	5687	5257	3364	5567	7120	7687	20807	27588	7040	7299	12926	0	8283	7680	5373	3106	7959	8831	3342	13601	0	9119	5999	0	4866	15165	Organosulfur	0.45454547	1.3636364	0.09090909
10	C11 H15 O5 N1 S1	274.07437	274.07477	0.083853185	274.0744	9351	7485	9420	7739	9773	10905	3088	4467	8498	12498	9656	4044	13456	4462	4872	8127	7552	14420	12069	14445	12329	16658	4275	5625	4919	1722	6115	6987	5306	3776	4022	7215	9806	5726	17782	5141	11467	3042	8765	24929	26392	5858	0	0	0	13818	22718	0	3523	3432	9866	11884	7319	0	8984	8262	3507	7796	10599	18703	0	17731	8625	7023	3195	7697	4782	8478	0	5481	5340	4063	3486	3870	5590	2816	0	3132	3660	13674	2427	12605	12005	9757	7476	4897	7270	8716	5816	6214	20102	37762	9739	22404	31507	0	9810	10566	6883	10367	11484	8572	2174	12227	0	6967	10707	0	5361	13043	Organosulfur	0.45454547	1.3636364	0.09090909
4	C11 H15 O7 N1	274.09213	274.09265	0.10883695	274.09216	16870	18868	17270	16963	31820	19035	6938	14780	30506	6730	6633	12162	45123	15412	8015	17582	21405	45159	32321	9179	10390	13022	11500	13741	4999	1406	8164	0	12405	10054	13183	14741	22786	19103	8039	16182	19392	9472	27164	5174	7979	22057	1338	482	824	6751	8556	533	18728	12436	15263	13980	26353	762	33699	36128	15444	15386	7926	9774	16662	3916	47565	31634	18103	35044	18026	21123	2954	2514	3038	15974	14680	13204	6991	13087	602	8693	9003	0	8185	4229	4330	1898	33234	17156	9264	35045	28438	19194	5534	8986	20990	5756	4557	1067	14346	19389	26211	37578	39412	21272	9944	9469	4499	15997	32072	517	6067	63709	Unclassified	0.6363636	1.3636364	0.09090909
0	C11 H15 O7 N1	274.09213	274.09265	-0.033034846	274.09213	2535	3397	3606	2942	7438	0	0	3663	2693	1518	0	0	10194	0	0	0	0	8030	7766	2283	3646	2856	1798	3316	0	0	0	453	5504	2357	2202	3530	6093	3440	3566	2462	4424	710	781	2551	0	5949	0	0	344	1634	0	317	2724	2536	3738	2386	4611	0	4910	1624	0	6206	741	0	0	0	13534	5456	1352	6648	8451	918	463	0	0	3115	2951	1984	0	3037	0	1728	0	0	0	510	0	0	1221	0	924	3718	5836	0	4647	2279	2979	0	0	439	2991	2501	1195	1297	1247	3981	0	2439	0	4760	1131	0	0	20862	Unclassified	0.6363636	1.3636364	0.09090909
14	C11 H15 O7 N1	274.09213	274.0925	0.09738067	274.09216	2390	5166	5695	8183	7330	8293	5097	5556	10953	0	4292	5260	14124	9306	5317	8361	10097	22068	9138	2650	2141	0	10633	4732	4217	0	3278	0	7805	7858	5150	6657	8343	6671	0	8873	6246	8093	11965	1182	0	13606	0	854	1238	1454	0	1126	6439	3319	2610	5820	10815	836	17514	9569	7839	6636	5868	0	0	2604	11249	13422	9229	9941	9148	7258	0	0	0	4079	6331	5428	6518	7295	793	5046	3003	0	5248	1015	1933	0	8903	9238	5363	8485	10609	6202	3263	3968	10516	0	0	1209	3571	6414	7609	10948	11655	9233	5505	0	0	5000	8410	793	4455	14111	Unclassified	0.6363636	1.3636364	0.09090909
12	C11 H15 O7 N1	274.09213	274.09253	0.1251371	274.09216	9957	12264	15543	9582	22554	18600	10234	10475	28766	4722	7289	12502	32601	15438	11752	11285	25573	36572	39004	2779	6421	8879	17111	9002	6747	0	7117	0	16204	13740	13937	15691	17948	16660	5218	11060	18738	14583	20518	1820	4878	23575	1178	1085	1458	2959	0	826	12434	11266	14011	16346	22714	1189	36906	21687	12831	9567	5879	0	0	3633	28114	27232	15071	27188	19627	19867	0	2558	1289	12683	11848	11793	9368	9641	908	15056	10129	0	7728	4431	1516	0	19270	13231	13857	20869	24832	11684	7530	10458	19967	7180	3027	727	17124	17591	17614	19087	18159	16483	13066	3772	0	15543	19190	833	7118	42554	Unclassified	0.6363636	1.3636364	0.09090909
10	C11 H15 O7 N1	274.09213	274.0925	0.06203163	274.09213	34752	32739	30389	34086	68837	54972	19201	28397	73555	18555	24688	28445	94820	31973	23797	30400	54686	95563	85282	26966	32112	23248	27210	21944	12645	0	19423	13394	36054	23412	25232	30394	50754	36946	27317	31259	47123	22864	52594	13843	19302	50122	2167	1136	1006	10740	16097	1009	32549	25384	34113	36615	60180	1567	85885	47072	27606	38757	16091	19055	29384	12319	76900	71889	31853	66866	40360	57072	0	2503	4884	24180	34631	27110	39890	30459	838	22811	20129	10085	15131	8876	8084	3872	53903	34456	25332	52795	48180	29123	11786	27977	31754	14194	12906	1043	33693	39762	48847	43354	51377	54786	26589	19744	0	29474	65376	886	14097	114594	Unclassified	0.6363636	1.3636364	0.09090909
6	C11 H15 O7 N1	274.09213	274.0926	0.11317431	274.09216	42459	48700	40175	39436	77808	51436	17506	31473	84301	22745	31394	27618	125241	33483	23930	37610	48441	139196	99570	23538	35044	32669	31407	28450	13329	1932	18039	10032	31125	29933	27700	41878	59788	52102	26741	39013	55589	23275	52030	11536	22377	57685	1847	627	606	12643	23871	585	37826	25274	47628	42876	74236	1062	95604	76315	32827	43461	13565	26112	46303	11860	122245	81958	35481	91221	60000	53773	4045	6681	4833	33593	36377	32649	28416	30647	325	21335	17728	10004	16311	8439	9234	5178	69059	42868	25488	73992	67649	31906	17477	23148	43759	16949	14165	706	41692	43459	49607	65257	85294	66132	23826	23794	8159	38118	82321	556	13182	163624	Unclassified	0.6363636	1.3636364	0.09090909
10	C13 H16 O4 N1 Na1	274.10498	274.10593	0.69994915	274.10516	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1578	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2067	0	0	2642	0	0	0	0	0	0	0	0	0	0	0	0	4521	0	0	0	0	0	0	991	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34001	0	0	0	0	0	Phytochemical	0.30769232	1.2307693	0.07692308
14	C15 H15 O4 N1	274.1074	274.10776	0.088836364	274.10742	128321	134560	120489	120663	86456	54957	85075	79487	69125	225856	167177	57231	67384	50222	55266	117308	114924	111542	110614	209000	233502	226646	62025	109727	66063	244346	76707	158457	75905	64193	64377	81821	119532	85169	226413	74321	111017	57157	128395	227918	327549	69573	3725	1672	1644	119028	121359	2259	102244	68906	122699	119474	77513	1446	78768	48372	50178	133411	60467	99504	101668	131565	84322	64294	40942	95155	72550	135354	257854	289195	476351	75582	64702	51906	84617	75312	1816	54819	106113	147972	75251	83683	81102	168626	70048	47725	117003	91178	89788	235020	150224	149158	169566	181361	264129	2595	138138	110792	54160	64207	57255	103399	61994	93820	47960	117035	46911	1755	90327	84384	Phytochemical	0.26666668	1.0	0.06666667
2	C15 H15 O4 N1	274.1074	274.1079	0.11257981	274.10742	14292	12223	11515	12683	13601	0	9814	11912	15909	18715	18912	9394	20376	12892	10679	6909	12789	16624	18297	17888	27999	16962	12032	9959	5889	21396	5808	13127	11129	7744	10760	9295	14649	10060	25946	9283	12098	8791	15382	16408	23519	10961	1093	989	1528	11083	19015	1472	11109	9881	10068	14343	13029	1525	19905	11802	9685	11640	4750	10046	10167	10815	15450	16359	7364	17468	11028	14507	29638	29287	46715	10058	9880	6859	7925	11319	1312	8346	10962	11501	11068	10206	6325	8913	11522	8308	12847	13769	12554	15873	10471	9146	17160	16332	15974	2809	12514	12491	13642	12668	13773	10466	10505	12416	10565	12803	8383	1225	7758	18458	Phytochemical	0.26666668	1.0	0.06666667
22	C15 H15 O4 N1	274.1074	274.10773	0.07634132	274.1074	8463	7767	7303	9259	7725	4297	3801	9237	5141	8050	12407	4176	3904	5558	3246	5792	6314	10091	5410	5084	10817	12519	7050	11818	8960	8007	4840	11694	6613	7231	4307	6360	10654	7229	10784	7253	13143	4377	8163	16197	23271	5399	3475	0	3060	5682	12497	0	8188	4580	7876	6842	6320	2281	8123	3425	4959	11029	2312	7174	10547	9445	3891	7923	4153	7500	8892	10012	12578	9952	19351	5843	6170	4309	5282	6355	2625	4316	4727	12747	5783	7424	5427	8035	6688	3824	8707	10029	7637	13874	10669	8315	9917	12873	14840	0	9341	10230	6457	4101	4757	6804	7341	7450	4670	10907	4476	0	8271	9009	Phytochemical	0.26666668	1.0	0.06666667
18	C15 H15 O4 N1	274.1074	274.10773	0.098327614	274.10742	48199	55147	50139	52168	39900	25905	34864	34919	28838	93337	90051	25947	39990	30745	27688	58612	44745	43218	50544	79299	104529	101859	33762	62213	25273	91092	30230	99666	26358	29645	34044	37915	60408	31442	78421	31260	56327	22838	47746	108886	160862	36397	4306	2148	2519	43743	59187	2630	37275	27213	49945	56974	39359	2434	29489	25155	24646	54190	26726	47264	54363	64152	43153	32453	22673	47838	38618	50986	92029	88749	158881	28767	26558	14474	29667	30856	2061	22462	43132	100295	35100	42222	29257	68403	34815	27615	54022	45278	36981	85915	65525	71589	81202	86223	105021	2993	52106	43565	25444	30637	30878	51514	23002	45314	26923	52525	29174	2089	37373	43549	Phytochemical	0.26666668	1.0	0.06666667
6	C15 H15 O4 N1	274.1074	274.10785	0.071290515	274.1074	64822	64103	55234	59032	49289	36894	31046	45317	56571	147578	93459	26899	71076	32785	34631	69319	43276	70169	75784	116883	177857	92135	39193	61489	29881	116022	30148	73000	41588	34436	39384	41541	61484	40912	149848	34329	60869	34530	56083	77728	149924	35396	2009	987	1314	57479	96203	1515	60544	38640	63838	61622	43963	1397	52927	39402	27084	63145	16148	44682	56333	60643	69304	43217	21595	58006	42123	61860	140604	165165	252325	33833	33491	25428	29980	38714	1291	22775	46389	59481	34892	35768	24281	57503	39368	27539	49305	43412	45597	89944	43231	52263	77823	88495	121147	1648	60038	52729	28354	48145	53674	63832	33018	45097	31387	49545	30829	1172	32604	72988	Phytochemical	0.26666668	1.0	0.06666667
8	C15 H15 O4 N1	274.1074	274.10782	0.078033894	274.1074	93473	93244	66277	89426	65104	44189	46594	68868	64504	157833	97122	41798	77926	28730	55346	109271	69646	84440	112327	160305	184432	151696	63479	149933	57120	134882	48496	88418	65612	55519	58358	74330	72886	66537	171573	57892	80146	54535	87266	122909	190357	51580	2721	1302	1524	107941	120976	1194	78758	49755	84963	87839	56360	1751	74231	47303	40516	101798	29222	78716	100943	79567	74932	59378	33380	79220	53366	89841	171112	184581	274951	63804	56873	44158	48401	59767	1103	44033	88939	99891	61476	69170	45839	80977	53519	28499	84917	57385	67535	158164	75069	87811	176053	107889	158209	2079	93518	88753	48565	64751	56526	74009	42918	78549	38889	107569	35874	1073	64066	85700	Phytochemical	0.26666668	1.0	0.06666667
10	C15 H15 O4 N1	274.1074	274.1078	0.072010145	274.1074	80796	82336	70980	65677	51546	38531	42107	56422	61786	145374	106986	38850	62255	36808	41975	90235	67484	73549	87061	139627	188159	123213	50020	77939	38187	182996	48343	88859	54908	46887	44208	55663	89191	47525	168607	48860	77616	43026	79888	136874	214123	44695	3118	1503	1956	82613	104093	2312	61704	49852	81703	81454	56804	1611	64904	41748	28980	91310	28560	68458	78361	82698	53355	53228	27096	65601	52283	87371	198611	224276	341823	46768	45837	35190	53961	50846	2038	33735	72199	90517	61003	61762	41670	78170	52787	37261	74836	56379	49737	134529	82027	62543	121002	117563	172171	3137	78272	79917	39797	45528	44860	75583	39747	61831	30066	69954	38537	1576	51707	72621	Phytochemical	0.26666668	1.0	0.06666667
4	C15 H15 O4 N1	274.1074	274.10788	0.11061693	274.10742	26488	31621	25128	28881	28657	19454	14377	20984	28955	55255	43537	16187	42429	21338	18494	22971	24320	36111	41206	52371	76249	42129	22816	21081	14469	69783	16028	29974	18321	14186	17120	14425	23144	14812	67575	17997	24361	14693	29455	41872	69088	21260	2113	1103	1745	32317	54376	2290	21846	18723	25413	23548	22970	1467	32501	26073	16068	22991	7703	21208	23596	31890	30985	28245	10732	31815	18245	26634	83552	74296	120654	15996	13373	13895	14712	14529	991	14212	27384	35637	21376	23767	12183	26284	28727	17595	24779	20426	22874	32489	24087	24437	37693	42365	60477	3274	26678	32847	24252	31422	31034	26819	15041	23850	27024	23134	19902	1697	16400	32210	Phytochemical	0.26666668	1.0	0.06666667
16	C15 H15 O4 N1	274.1074	274.10776	0.09149331	274.10742	91174	87645	90863	91155	73307	54289	54208	57187	55324	164704	149229	39147	60751	49873	48771	89957	83765	99761	108871	164966	184112	155678	48278	82049	53165	189176	49900	129591	55362	51607	55713	61968	90782	53003	194383	61183	81455	36740	86984	177786	260796	52364	4112	2440	3223	81690	110682	2807	74754	57664	99124	86926	67427	2095	48265	43100	41201	95375	43320	80427	69793	103709	76025	48782	30255	82519	75081	92022	179205	214750	294897	58822	45327	38559	51555	60157	2271	40885	68991	143555	53896	79765	60061	134783	52322	41714	81516	74238	63014	167334	105203	119521	151402	156101	186704	2840	87972	91625	43885	44909	47918	88332	38625	68985	45305	85749	47961	2013	61729	73085	Phytochemical	0.26666668	1.0	0.06666667
20	C15 H15 O4 N1	274.1074	274.1077	0.06178707	274.1074	35725	36964	32189	25216	22409	27833	21436	30142	19300	34016	39290	28920	19907	21230	28071	32054	78946	27552	29274	26604	34771	49955	30139	49448	27554	36585	22993	33853	30217	22533	25372	25729	48145	23683	41015	17309	55756	23186	80469	41400	76507	28258	3359	3025	2479	21399	30502	3772	31111	17733	28348	31407	28258	2373	14888	10292	16004	32906	8678	23354	33677	24166	19845	17635	12767	23932	24508	92801	38506	38428	62140	21072	14933	9478	25871	21498	2263	16298	33048	49035	22785	16197	18635	36554	13286	14432	30725	42015	24847	127525	32917	35992	81357	40953	31064	2908	28165	22117	17102	10243	13587	42173	28430	22412	16712	61033	14539	2941	32283	30524	Phytochemical	0.26666668	1.0	0.06666667
12	C15 H15 O4 N1	274.1074	274.1078	0.06620219	274.1074	100403	110116	104217	111836	63736	46370	53217	64489	66880	176834	143171	41122	58459	34643	45651	113521	87428	86566	99946	175829	209895	178508	59822	130862	58777	223508	49899	110209	56310	49609	52854	64651	82669	58947	200955	49904	73839	52045	99969	172906	278202	54624	2917	1415	1557	108178	131258	2581	83960	55507	99332	102358	63051	1882	74456	43951	40443	100502	37348	81305	89955	115575	84171	56533	32398	80230	54773	97808	234259	266976	423474	47812	44180	37119	62688	58754	1301	41847	82061	120163	61553	73832	53922	105660	60836	35369	109716	63359	57546	350278	128986	118131	131398	142952	203542	2333	109506	102236	48784	53886	54761	86526	42560	81790	36535	72996	46405	1605	76712	102724	Phytochemical	0.26666668	1.0	0.06666667
8	C14 H15 O3 N3	274.11862	274.11905	0.07852812	274.11865	20617	23650	17881	22340	5935	6970	16986	21560	6921	19538	14717	14529	4372	5561	15001	31602	26382	9260	10933	29204	28480	31595	16660	35143	17926	11843	17888	18384	18112	14981	16670	19697	20271	18727	24767	15642	25425	14665	35186	23573	30909	12336	0	0	0	15994	21549	0	24686	16816	18440	21839	10594	0	7809	2908	6497	26908	10164	16037	21841	14758	4995	6448	7813	8664	9965	33013	10049	21910	26356	19368	14300	11103	18539	15592	0	10971	24434	23866	17158	11051	12845	16593	5672	6166	23681	18818	14633	60677	26775	20691	53079	23262	26055	0	19444	23552	4115	3023	4293	22410	12501	15966	0	28703	4393	0	24147	7777	Peptide	0.21428572	1.0714285	0.21428572
10	C14 H15 O3 N3	274.11862	274.11905	0.13621746	274.11865	22894	22273	20754	13297	7886	11270	18659	19644	7095	16203	15300	15786	6417	5495	18802	41652	31835	11584	16493	19340	19162	30467	18248	44586	23036	10119	18821	14954	17582	17194	16289	18928	27849	15664	12037	11266	26916	18206	44583	19909	24943	17154	479	0	0	17622	14206	0	21508	13973	19844	20610	11846	0	8395	3828	9426	40416	5666	19450	29317	8997	6392	8696	10553	10714	15483	46220	10576	15324	16825	16725	10182	7705	22113	15339	0	12779	38624	24047	28034	9107	9291	11437	6496	7881	43642	28199	19230	110962	20373	17129	70265	15245	19533	0	20207	20533	9852	5381	4634	27314	12206	15864	0	42600	6307	0	35531	7370	Peptide	0.21428572	1.0714285	0.21428572
6	C14 H15 O3 N3	274.11862	274.11908	0.097296976	274.11865	22340	26726	20083	24508	10424	14646	14942	22704	9739	31475	23900	12257	7030	5396	14787	29506	22885	17229	19272	31257	40752	30884	16055	33499	18965	18718	13159	25245	18073	15570	16028	22191	27343	19848	34494	17618	22063	16213	32698	25906	40422	11412	0	0	0	23432	30596	0	23304	17575	21784	25751	10681	0	11429	4745	7406	27410	8089	17205	26682	18284	7097	10090	7795	11958	13564	39754	16559	27844	34517	18049	16247	14644	13225	15758	0	11350	21472	27776	16323	11971	11886	21976	8689	8731	24383	17171	17163	59680	31083	35440	42492	25594	35853	0	25416	20318	6264	5390	5939	26003	11952	21360	10020	31110	5357	0	19086	10353	Peptide	0.21428572	1.0714285	0.21428572
2	C14 H15 O3 N3	274.11862	274.11914	0.12638582	274.11865	16394	18015	15511	15967	9963	0	11198	15559	8397	37870	30141	12717	8284	7606	16171	0	17510	11645	13880	19784	29358	21360	13958	16232	12239	12279	4227	30495	14129	10176	13575	13026	21376	12718	45011	12266	15800	13599	22062	16937	24790	9209	0	0	0	13307	19991	0	13955	10132	16271	17637	10445	0	10070	4550	6839	17911	4613	8673	9635	11017	9754	8687	7329	10058	10543	26625	12739	19705	24352	11944	10080	10758	8472	12154	0	10252	17313	36754	13713	9092	6388	10576	7753	8799	19499	14333	10212	40428	47895	34828	36743	19149	10725	0	15183	18395	7235	5176	5997	13321	11189	12038	11483	21435	5300	0	14396	10495	Peptide	0.21428572	1.0714285	0.21428572
0	C17 H16 O1 N1 Na1	274.12024	274.12106	0.8938631	274.12048	0	0	1735	0	0	473288	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31403	0	0	0	0	0	0	0	0	1680	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	665	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.05882353	0.9411765	0.05882353
4	C12 H19 O6 N1	274.1285	274.12897	0.026327914	274.1285	78396	90700	87484	88408	102894	63334	44094	83644	121220	50844	47672	54984	332432	48266	59206	88436	106604	160060	140681	77722	78404	89740	64126	66980	36562	13194	43798	22894	80318	74388	69486	74008	114016	70680	83526	87096	108662	50750	278696	53230	54160	84044	4946	2284	3422	58918	70150	2002	95892	94092	85088	72150	94572	3000	307444	137424	55472	92790	75436	78022	85808	34380	339888	122948	48226	240176	72290	107260	24534	23764	26058	63008	71832	91042	46390	78210	2442	53122	61994	26970	39674	37276	52038	20122	123654	76294	68250	75740	97288	189723	72378	86952	195612	35882	44174	5656	78088	97792	85764	152958	159462	115946	46766	109174	45364	151984	122876	2506	35638	460056	Lipid	0.5	1.5833334	0.083333336
2	C12 H19 O6 N1	274.1285	274.129	0.08739859	274.12854	47825	43991	40469	85674	131242	142026	15510	43097	117600	33485	19047	56340	214640	55948	43806	15223	56602	187340	149226	35997	46667	113092	53436	36315	15067	3191	5211	10548	106768	30539	48870	50765	82986	49934	106546	43755	67576	30294	66032	72114	39008	39151	1149	660	1194	24061	25922	579	51666	27623	43302	41806	121104	908	145306	79452	37896	135152	43884	14943	22177	10567	110512	131202	36032	162714	57827	37480	7922	12787	10069	52629	55649	42675	5992	42113	984	22779	40936	9300	30714	10457	10538	5167	67946	20445	45290	111104	116036	42996	35057	53403	111424	13630	10519	1611	40127	43920	57526	94550	43371	42754	45066	72564	10650	105156	67924	686	15117	330472	Lipid	0.5	1.5833334	0.083333336
14	C12 H19 O6 N1	274.1285	274.12888	0.05918937	274.12854	40137	49571	35492	35830	89455	83556	36551	47371	95992	22596	23266	24127	153425	69863	46776	54529	79873	173676	122826	51059	61828	21484	45621	30361	44237	18208	33484	33301	81740	54340	35588	49091	80868	50960	30702	67602	62726	40837	61168	18676	30458	75784	7191	2560	4168	24165	29569	2957	43551	43461	33728	37650	80643	3697	154497	106386	37287	48319	29476	32521	50229	14707	78310	84793	50707	97083	71865	46181	13343	17865	10985	36946	49998	74774	62602	43330	2513	36208	30610	28558	22155	22264	27111	21936	118587	69326	48385	53603	55156	31102	50587	40291	37316	20204	27110	4082	35188	60715	75610	92766	136708	88669	28398	54418	18115	32876	126859	3351	28405	93752	Lipid	0.5	1.5833334	0.083333336
16	C12 H19 O6 N1	274.1285	274.12888	0.045347232	274.12854	21970	19339	19446	14415	45114	38068	18320	21877	38610	9201	10825	16891	56364	32238	25450	22086	35804	74203	58979	11217	13816	4767	21119	16902	21247	1712	18490	12331	34236	28966	21441	25504	30606	24847	10291	40527	34702	16683	25975	7188	9463	32484	3758	2793	4949	8271	13880	3302	25154	20897	22527	17625	35228	4010	39935	38951	23099	20832	8049	12710	23230	2974	29945	35596	21530	37314	35215	24093	0	2945	3464	23075	27715	28495	32724	22066	3674	16369	11346	16139	9008	5620	10675	7739	42052	29949	21290	29087	30456	0	24122	22016	0	7958	13735	4475	23634	27173	29091	35375	48028	42680	16503	21875	4902	17394	52883	3079	13606	40442	Lipid	0.5	1.5833334	0.083333336
6	C13 H15 O2 N5	274.12985	274.13043	0.46498075	274.12997	98862	100726	103268	103472	134691	93795	73219	123656	154106	71467	57078	67675	223351	61001	96713	137258	119551	256534	227956	108648	116807	95211	103676	98071	64420	20693	58091	39493	148965	115072	94717	119440	160810	112452	92550	137737	144415	79307	120959	49657	70342	126855	3921	1199	1630	74629	83263	1074	117721	101915	109535	105059	126061	2350	223408	161614	73046	126563	87295	84121	132498	41113	180469	136405	58907	153414	120005	118374	35842	35226	40267	87465	102210	143375	71403	90646	1081	71654	64618	32381	47307	46818	73332	33131	159808	115491	92815	107144	134602	110592	74747	124379	142762	52382	70116	1773	106853	116060	93000	150479	206980	172275	68787	119059	40726	97709	165093	1145	49367	243927	Peptide	0.15384616	1.1538461	0.3846154
2	C11 H19 O5 N3	274.13974	274.1403	0.1387215	274.13977	19421	17592	17707	15418	17519	15872	8786	17050	22184	5992	9520	12524	27151	6339	12776	9755	19064	28934	25187	6745	6785	20412	13954	18214	9142	0	3483	21012	14890	10008	18058	15803	24542	13635	9000	14197	23117	11439	23415	4156	5099	18696	0	0	0	5450	5160	0	20002	10579	18092	17693	17695	0	23581	10195	10678	25224	5248	5117	13200	2470	28939	20835	12114	27976	22107	22387	739	2375	1953	15216	16488	12586	4745	11980	0	8781	10496	20766	7936	3323	3008	831	13916	12132	12178	19966	24389	33788	26360	18286	38470	10764	3522	0	19421	16839	11254	11477	12656	19851	10964	7417	3047	27149	12626	0	9490	41032	Peptide	0.45454547	1.7272727	0.27272728
14	C16 H19 O3 N1	274.14377	274.14413	0.046725634	274.14377	42395	44411	46353	47608	17143	19601	29987	31528	13879	87822	57882	26968	9850	12547	19630	39791	43300	19361	22755	102873	105725	73394	21694	36603	20583	152685	29612	53356	28984	31725	26004	32554	40832	30543	84500	23282	40342	20181	47016	87916	133743	19241	0	836	617	39320	56775	977	41389	25423	45189	44425	21392	830	15556	8000	16309	42232	14629	44543	29383	48265	15518	13758	9505	21710	25540	56065	125163	147025	249332	27103	28085	20956	33373	27477	560	14683	28337	51516	23292	28185	30328	75341	11065	10608	35429	31311	23311	93259	49488	50336	60551	60811	92983	1029	39275	29361	8420	11450	11091	41996	25191	43933	0	43717	12799	739	30991	13578	Phytochemical	0.1875	1.1875	0.0625
16	C16 H19 O3 N1	274.14377	274.1441	0.043249935	274.14377	42470	47666	44712	45374	25033	16474	29089	33602	14098	86425	57525	17370	13494	15552	20114	46589	56368	24865	32989	78328	106731	71137	22834	40502	24729	157005	25385	49165	27552	37180	30427	33817	48833	32502	73567	32640	42446	19320	59165	85509	133139	25542	1578	1137	769	33810	53394	1223	47022	34849	45842	43488	20943	764	15045	11085	12312	45492	18118	42455	28886	43811	19319	14003	12012	27010	24916	51977	127924	153324	216160	33087	27266	32065	41120	34168	617	16739	31324	65814	21507	34257	32686	67078	14562	10402	36727	28548	24323	77692	52222	49585	64889	57788	79661	1155	41741	38803	14791	8376	12111	41460	18033	36298	22064	36385	15524	674	33606	18561	Phytochemical	0.1875	1.1875	0.0625
6	C16 H19 O3 N1	274.14377	274.14423	0.031563044	274.14377	93532	97652	90858	92892	29550	46744	52668	104708	25980	218194	108820	46520	21710	21321	44642	105351	158865	43958	55899	202837	255974	88706	45152	83625	58283	213105	55166	91563	113699	80446	89470	117533	131485	125445	229501	93769	125496	45065	175596	99465	129001	90692	1064	687	651	67523	78572	711	195898	95679	95785	97483	53230	669	35444	11485	22699	101876	5243	41239	100885	62362	29028	22908	19068	47093	88232	239095	152813	243967	320981	81789	74518	59081	136193	79852	343	42768	58179	60108	59026	19839	16894	99375	20672	25277	59745	56277	61228	119976	72498	35213	111142	73968	150399	706	99404	83661	16738	12670	12968	121901	40740	71188	34358	75188	15428	638	59880	32188	Phytochemical	0.1875	1.1875	0.0625
12	C16 H19 O3 N1	274.14377	274.14417	0.06758825	274.1438	38655	44411	39756	42050	16709	11569	22676	29926	13590	100092	68613	15153	8730	10140	15785	43377	33778	15814	22569	102719	115174	66849	19855	36322	18419	122987	20254	52531	23897	26491	20721	29944	32029	24414	112035	29354	33381	14936	44361	76313	128228	16284	1005	531	806	35773	53580	780	32183	19787	39794	47778	18481	569	8931	6509	11409	31092	11097	32266	26164	46488	15009	9609	6872	16929	15896	40922	89705	135857	195810	25115	20115	21850	36442	30095	595	15945	18151	39244	17946	21870	19586	58548	13454	8005	25487	19289	13387	70804	53041	42610	50282	53029	95338	648	45207	35930	11113	6494	5958	27546	15606	32829	0	30497	11868	696	22423	15916	Phytochemical	0.1875	1.1875	0.0625
18	C16 H19 O3 N1	274.14377	274.1441	0.066071615	274.1438	61328	57714	51886	49083	26481	21262	24253	38017	11777	119923	123667	24036	22693	20085	22317	54713	47397	22674	29572	121140	146218	76934	22959	62788	26165	148362	19713	129364	29099	30409	29865	33349	55863	30557	87848	31380	54848	21871	46801	111314	164950	29141	1943	817	756	45384	65738	1155	40002	29882	45877	57812	24699	903	14549	13096	16906	56297	22815	55415	43735	66271	20681	15853	12247	25089	31073	58917	118380	125395	214288	32604	26380	21368	30544	31427	714	22071	33166	92875	25627	38260	30240	79545	18638	16562	31804	36349	27467	81107	73155	74163	73476	81570	102145	914	46900	43744	17251	16440	19526	49775	24418	51396	24762	34569	12866	673	34726	20087	Phytochemical	0.1875	1.1875	0.0625
4	C16 H19 O3 N1	274.14377	274.14426	0.06185974	274.1438	91918	114873	95132	100629	29939	43990	62467	129707	23092	197526	95511	66900	22456	22650	56349	101730	169111	53494	68043	207956	237888	114383	57759	92452	57089	207201	68739	99430	140087	87679	105247	157165	133963	143352	249042	117893	113121	61736	195019	125070	140408	79040	1197	720	828	63041	84016	1097	219516	124013	104965	90881	76146	797	35154	11287	40292	106395	4861	28660	98548	70733	29119	28664	22472	71832	49066	231614	147735	220421	292421	91619	103780	82278	172233	90596	469	64614	96129	67951	82852	24300	20991	102896	18961	31396	87035	105659	95610	156103	77864	37224	126943	89108	166423	1835	91495	110990	21048	12076	13978	118913	59536	78872	35346	80399	16363	688	84270	30070	Phytochemical	0.1875	1.1875	0.0625
10	C16 H19 O3 N1	274.14377	274.14417	0.046362534	274.14377	41353	34277	31571	32394	16017	15956	18554	28517	12550	100540	63699	19174	12229	10016	18065	38610	28406	22487	22603	98899	133130	46047	18199	35609	16740	116531	25837	57976	28939	24796	24568	31528	38120	26209	103587	26838	36501	19825	38326	76938	80346	15323	936	937	829	32607	37937	1067	33349	24210	40680	38559	16811	879	17332	6091	10311	33744	10535	24555	30742	36196	12988	10787	10134	13428	17399	38933	114302	134003	180787	28467	27924	20186	24161	22719	825	16290	27391	35129	18881	15795	14035	43781	10386	10077	24770	17843	15746	55127	44799	21864	47950	47943	85858	756	36113	36529	9468	8577	8961	36217	16945	28529	0	32421	10284	638	24056	17488	Phytochemical	0.1875	1.1875	0.0625
2	C16 H19 O3 N1	274.14377	274.14426	0.025309691	274.14377	98817	96754	77737	84103	15600	20980	58725	173527	12402	136905	61770	70563	12559	16082	68386	150713	126638	29727	43152	179594	174158	90324	53120	97978	60166	119814	77988	50336	140242	152247	130500	162425	109103	129335	149371	144254	113053	57821	123129	104603	86197	38311	918	533	841	45889	55509	538	169680	157975	83195	90425	28576	888	22556	7113	15497	107489	5846	14122	118611	43622	13718	19438	14037	31373	41078	149388	83427	133207	152192	163480	145330	155076	187031	149149	493	75147	50904	47185	50743	21162	20402	67628	9593	15989	46693	41323	43026	111592	69688	43514	173399	50251	130385	1960	91877	90351	12622	5046	5734	120259	63788	101814	24010	109310	8301	861	53178	16820	Phytochemical	0.1875	1.1875	0.0625
20	C16 H19 O3 N1	274.14377	274.14407	0.06058598	274.1438	45802	43434	41787	33226	24829	20067	15779	27206	11083	127016	127115	14950	11777	21795	12475	40210	26894	27729	21167	125652	137482	58877	19652	28659	14967	115399	18779	131747	25644	21788	21602	36717	29338	29648	106741	25540	33022	13417	31998	99007	147190	23047	13074	1281	911	44638	51352	617	28779	22069	41191	45398	17408	1345	9794	9348	14587	41210	24241	49687	29498	64074	13772	11265	12038	26901	25631	38151	97628	91763	159026	23663	26545	17950	22170	19679	971	11520	21660	71089	13502	32505	31612	81277	10557	9743	22875	24462	19962	58962	69448	59512	44917	78565	70791	729	40560	45523	18592	8904	14114	40918	19538	40185	32638	25442	14097	1221	20162	18752	Phytochemical	0.1875	1.1875	0.0625
2	C15 H19 O2 N3	274.155	274.1555	0.032322127	274.155	14026	12915	10859	9430	1730	0	10416	15293	1162	9986	5308	10682	0	1409	11932	0	20025	3181	5059	11656	14854	13963	10196	19426	11019	4577	7498	8985	12892	11632	14384	15991	12682	12129	11429	16362	13953	10638	18578	14340	14187	5772	0	0	0	7450	9233	0	18999	14739	11738	12886	3346	0	1528	380	3176	15668	1212	4013	12813	6393	866	1146	2894	2413	6239	23950	2813	4764	6437	12833	16171	16657	17923	12429	0	8629	12544	11385	12111	3320	4745	11514	807	1985	11074	7038	6128	36868	14691	7596	26611	7334	8951	0	11263	12177	1117	423	539	14981	8878	13400	5026	14801	0	0	14892	1269	Peptide	0.13333334	1.2666667	0.2
6	C15 H19 O2 N3	274.155	274.1554	7.58784E-4	274.155	7986	9822	8430	9346	1978	4579	4664	12465	1039	10504	7553	6041	717	1297	5586	20474	8067	1698	4389	13785	17299	9136	5620	20658	6387	5716	4969	9581	10808	12852	13616	14414	14590	11879	13208	15000	13090	4814	10075	6487	5543	6261	0	0	0	8435	4427	0	21242	11448	7973	8501	4847	0	723	0	1827	14235	779	2358	16097	3488	0	0	2339	3137	5529	13320	3604	7623	8431	10393	10822	11092	8419	11439	0	6375	6173	5411	7209	1562	1633	5941	0	1445	6928	6002	7283	19988	12366	2720	18402	4527	8823	0	6613	8216	1023	0	0	14861	4798	4029	0	17107	0	0	7096	1785	Peptide	0.13333334	1.2666667	0.2
10	C13 H23 O5 N1	274.1649	274.16528	0.030409567	274.16492	50452	37186	47217	42238	37217	35887	113638	60738	25885	33445	21083	36321	64101	126368	38099	68735	80893	55670	63477	34573	25329	24858	36392	48223	42396	64799	73390	27250	71551	68490	42508	60171	68049	50447	24344	78648	66810	33418	77998	9018	17741	56117	8234	1148	806	27264	20986	528	54932	51386	47020	44915	33403	5087	37280	88577	26442	60197	13741	32030	89605	8472	44922	28144	89338	53893	50232	69471	14077	11450	18408	40089	51226	70988	59397	53435	0	31119	30460	28775	23903	19522	317412	180798	63391	46466	45026	36316	41322	39287	33056	32241	50992	14446	24775	1990	44090	60765	28473	128437	158801	84280	23309	48642	0	42400	48718	722	33309	47175	Lipid	0.3846154	1.7692307	0.07692308
14	C13 H23 O5 N1	274.1649	274.16528	0.06833343	274.16492	48261	43119	40438	54233	61418	61071	86636	65602	34484	21084	20829	42506	82234	128109	53021	76380	115403	86021	79172	39309	35609	22389	44922	41420	64148	39065	59037	36042	113303	88160	44950	71737	88024	63807	26174	103742	61959	48080	96993	11597	13808	67664	21609	1371	1866	28314	27550	1869	60716	55383	41909	38359	55686	0	44017	42674	26213	79742	23764	31556	71695	9884	57226	41048	104057	88335	96370	83694	0	14184	11096	55094	65310	100835	80793	61429	1123	48997	32278	49879	20170	24929	103135	70384	64460	91265	65658	52952	59397	65811	67665	42957	64116	15803	31252	4022	48365	65097	36150	60607	78753	104095	35720	48789	22661	57178	47772	1561	33518	52897	Lipid	0.3846154	1.7692307	0.07692308
12	C13 H23 O5 N1	274.1649	274.16528	0.0185102	274.16492	93931	74005	138743	90219	97682	190338	1022467	244329	36057	34479	43485	123019	83523	2234960	133178	141810	399786	177500	198372	65735	86838	89665	126518	91356	155766	836924	93906	73775	327667	84752	221877	151437	316901	260194	53613	246055	232321	105225	395291	27280	66640	184379	84522	1587	1276	83700	54350	1461	236374	112517	138527	88341	117072	18572	52998	243381	112802	300070	34602	154678	129365	42829	422538	47000	1398183	133400	841765	354178	93569	135919	122298	149351	176984	152967	122550	186380	965	125437	115865	56297	67968	282683	2869755	2260190	65614	87962	211649	152074	202203	307649	52493	66791	213860	37002	21014	25385	123117	196432	138120	54926	97818	150476	110525	25890	26652	235195	56768	1796	150306	161839	Lipid	0.3846154	1.7692307	0.07692308
16	C13 H23 O5 N1	274.1649	274.16525	0.03940203	274.16492	29117	35443	36336	32695	45893	42733	74748	47426	23499	10294	16531	34810	61850	69244	58434	56921	61073	79348	53149	22001	20669	10496	33183	22950	47638	15191	60754	24996	77451	60674	51068	63259	58018	64225	10395	77831	49841	45932	56849	5801	9936	46360	12728	1636	2021	15101	9865	1614	61295	40200	32143	36622	36523	4259	34676	26341	25522	50616	12383	18911	57972	4895	33918	27347	42850	59610	64537	45439	4149	6732	5749	46113	66075	90603	53493	57647	1573	47075	20674	35923	14383	17152	65898	47348	39753	31605	39291	36233	35303	0	55698	36949	0	13072	19344	2246	37730	48696	24446	30126	52821	69810	47681	30435	66076	31710	31724	1556	28598	35448	Lipid	0.3846154	1.7692307	0.07692308
18	C13 H23 O5 N1	274.1649	274.16522	0.06594656	274.16492	23506	24856	23080	23699	25894	24952	28951	22402	13752	6009	21131	13570	31114	34585	24421	36760	23773	40718	29520	9599	4001	9026	20817	18049	40039	2004	26108	15196	32333	25269	25094	24809	38497	33794	3743	40148	35182	17913	21460	1952	3758	27126	5570	1531	1937	12070	8630	1595	29264	22956	24703	22597	24716	4130	30612	18981	16053	31029	26390	8288	31227	5627	23850	14342	21553	34605	27062	17543	1424	1841	0	23340	29847	37854	27401	29111	1648	17244	13056	29914	7714	8042	14278	3087	17850	25213	25815	21402	23679	9394	28253	27656	33516	153233	7114	1823	26685	26571	18886	18358	30117	37678	11514	16109	1843709	20934	20572	1989	26875	19296	Lipid	0.3846154	1.7692307	0.07692308
24	C13 H23 O5 N1	274.1649	274.16504	0.07612314	274.16492	1340	1405	946	3187	0	0	11278	1250	0	1370	0	972	0	72095	0	1295	2302	0	0	0	0	0	0	0	0	0	8534	977	1440	1785	1119	1725	0	0	0	0	0	0	1276	0	0	1164	2145	0	0	1506	0	2849	1077	0	1387	1542	1041	0	0	1293	1129	0	0	1846	1874	0	21736	0	63983	3608	5874	0	0	2540	0	0	0	0	0	0	0	0	0	0	0	1852	1694	0	0	0	0	0	0	2243	2027	1457	0	0	0	1902	1539	2502	937	0	0	0	792	0	0	0	0	0	1343	2904	Lipid	0.3846154	1.7692307	0.07692308
22	C13 H23 O5 N1	274.1649	274.1652	-0.015590527	274.1649	0	1637	0	0	0	1842	1443	1705	1451	0	0	0	0	87996	0	2894	2346	4850	2200	0	0	0	0	0	2090	0	2185	0	1911	1059	0	0	2414	2775	0	1276	0	0	1449	0	0	2896	2454	0	2296	0	1713	0	1294	1312	1439	3100	1393	4297	1754	3253	2484	2433	0	1078	5171	0	8286	2224	43855	5130	6895	2671	0	0	0	0	0	1923	1314	0	2005	985	2388	0	1035	0	1695	0	1862	1792	2566	2355	1683	3292	0	0	0	0	0	0	1461	1962	1443	1704	3831	2468	1398	0	1742	1770	0	0	1667	1663	Lipid	0.3846154	1.7692307	0.07692308
4	C13 H23 O5 N1	274.1649	274.16537	0.001923591	274.1649	40250	43854	41327	43259	36601	38427	30765	58971	30685	23929	15457	34662	67362	22689	73460	46532	103887	73438	72488	28986	27020	38195	31571	29582	86324	4721	45221	13589	42298	48627	47614	43865	64067	43897	37560	49056	53644	38822	136406	19664	14517	25639	0	0	0	22412	16988	0	63884	54411	40741	32767	28934	0	41350	19904	17366	124780	17851	14074	50172	9947	36664	32157	18119	41449	22959	114923	5842	12421	10004	51989	48888	60065	31002	41192	0	46186	32156	10259	17270	11382	13853	7450	19179	20279	44987	18461	27966	22763	50266	102720	48087	13083	19725	456	35767	42765	24482	24276	21654	57019	40687	38172	13135	60176	31562	431	22477	108594	Lipid	0.3846154	1.7692307	0.07692308
6	C13 H23 O5 N1	274.1649	274.16534	0.009356608	274.16492	22165	24556	24314	22465	26402	20236	22450	23296	18805	17924	13777	12609	33985	12947	27497	23337	19374	26545	30566	18515	22376	27009	16175	19764	14541	5544	25929	14859	22844	24103	18554	26904	36596	25554	25396	25757	31037	25699	22861	12446	12560	14824	0	0	347	15932	15623	0	28837	18818	24509	24761	20249	639	27969	17924	10167	28722	13779	14129	27358	8193	29869	15378	151427	24257	18143	23413	10577	9410	10019	20151	22857	28250	13415	19511	231	14438	11218	16697	10661	9341	14686	8925	18419	16451	16943	12954	19334	27363	33007	38544	38641	12089	16407	0	22768	20106	11878	18998	25322	34107	12802	26387	6776	21947	17856	0	11036	36719	Lipid	0.3846154	1.7692307	0.07692308
4	C12 H23 O4 N3	274.17615	274.1766	0.08477462	274.17615	10043	10546	9128	8774	2379	6501	3048	11637	1838	2353	2971	5028	3281	2361	8647	13327	3825	3742	6382	4469	2485	6650	3494	7203	22603	0	2534	28203	18393	10072	10388	11043	10761	27174	3362	45416	7599	4957	3432	0	373	7193	0	0	0	1862	0	0	11820	5398	7753	7307	4377	0	3400	1586	1784	14811	961	700	10133	0	2542	1923	1217	4960	5526	2918	0	0	0	5299	23930	15597	3743	10565	0	8674	2969	64372	1661	731	1071	292	1220	3789	4852	5254	15349	4910	231810	105720	17897	21362	4995	0	7481	8978	2655	1332	1932	7473	5714	1992	0	8644	2588	0	3791	5643	Peptide	0.33333334	1.9166666	0.25
6	C12 H23 O4 N3	274.17615	274.17654	0.061094534	274.17615	7549	8101	6983	7131	2479	7782	4335	6906	2155	2004	1159	1853	2298	2983	6729	16490	1605	5613	10838	1237	894	10523	6165	11561	10285	0	3028	4672	11194	8202	10442	67198	15203	24255	3926	12709	14203	5231	1134	0	0	3189	0	0	0	3577	0	0	20440	5250	8374	6019	4797	0	3060	717	1574	21828	0	0	19200	0	1504	2034	1091	3086	5549	1504	0	2425	0	6960	11757	10396	8427	9416	0	4529	3036	0	2707	737	465	0	0	2947	6562	4187	7786	6456	19462	8819	31377	1133	0	0	6965	5171	973	0	637	12784	4926	0	0	20158	1187	0	6090	4131	Peptide	0.33333334	1.9166666	0.25
2	C12 H23 O4 N3	274.17615	274.17664	0.006254719	274.17615	54982	52888	51100	50533	8680	84841	19666	17455	7786	7088	35071	13475	14528	5973	26957	9101	21491	19388	14042	5296	4926	12052	9577	10478	11698	0	15716	556104	26268	14154	22214	18839	43877	13896	6666	18247	29778	20116	29084	2003	1369	43838	0	0	0	2946	2378	0	21071	8815	53528	56487	47954	0	9380	4697	18399	19658	2689	2064	7667	634	13578	8048	9597	73823	23057	29722	0	2514	2173	12727	23158	14753	14038	16057	0	18276	10255	1219129	6783	1533	2353	830	5654	20641	15209	20071	22484	23956	911742	896904	26485	191594	3842	0	58501	51738	8410	4608	5498	23644	17698	8707	1038	24727	4778	0	13438	20060	Peptide	0.33333334	1.9166666	0.25
24	C17 H23 O2 N1	274.18015	274.18045	0.050406527	274.18018	4584	3378	1772	4741	4935	2815	2269	9875	1452	2321	3452	10018	1465	3079	7566	36034	2716	0	0	3244	1512	3907	21911	13962	16672	18074	1428	3246	2029	9088	8657	5606	4115	3425	0	4073	3986	5810	2752	3032	6589	1693	0	0	0	3687	7994	0	6655	14564	5053	3809	3455	0	2011	0	917	12436	4302	2237	13133	1284	0	2256	0	1781	2662	4110	11667	7035	7338	4622	2366	4399	5806	6455	0	6085	2201	4166	4424	3712	1997	4279	0	0	3250	1516	1109	6042	2764	3486	4799	2325	2253	0	4806	2776	0	2308	1741	4829	6576	6184	1814	19023	2032	0	7822	0	Lipid	0.11764706	1.3529412	0.05882353
10	C17 H23 O2 N1	274.18015	274.18054	0.04712746	274.18018	21765	22757	19640	19296	15954	13103	25846	82551	3096	80156	43161	19674	1804	32409	17916	26342	25532	6611	15304	100719	88955	7141	9000	18912	12504	83875	91224	64996	45408	23168	23275	26699	29342	21209	77786	42185	36700	14797	15352	31850	8782	9812	0	0	0	11626	15967	0	26814	127481	17446	19882	17993	0	1559	0	4214	25109	0	0	22474	11211	3058	1966	5682	9450	11930	34912	55932	81609	85401	24489	20580	66891	24576	20081	0	17833	9703	20115	7770	899	0	25165	2628	2283	9615	11921	11064	33795	27903	1682	19843	18768	52062	0	19353	17607	5252	745	1292	28328	15586	9220	0	21611	5032	0	7539	3227	Lipid	0.11764706	1.3529412	0.05882353
22	C17 H23 O2 N1	274.18015	274.18048	0.06947055	274.18018	7576	11354	4615	8039	2983	1941	4656	6170	0	8214	19681	3989	2669	0	4189	15978	12010	0	2618	10824	13862	9249	2828	7142	6568	52396	3061	15883	6993	7817	6157	5653	5407	8566	6259	5118	7903	7115	13192	14693	31767	2190	0	0	0	12041	28517	0	5908	7983	6217	7889	3050	0	0	1242	1417	11559	2411	12207	14472	11593	2736	1073	0	3895	5596	13239	38630	29034	50158	7943	4655	4444	4566	4406	0	4814	3936	13842	6520	10528	6132	12269	1704	1880	6330	4222	2322	25835	15633	8790	5709	13339	15091	0	9210	12104	2129	1874	0	4966	2874	12145	10130	10853	1415	0	11609	2833	Lipid	0.11764706	1.3529412	0.05882353
6	C17 H23 O2 N1	274.18015	274.18057	-0.016947405	274.18015	43251	46469	42618	43288	5567	20843	56911	127415	3763	81563	45001	48204	3252	12092	75857	100671	49837	12147	14866	104023	100756	18796	28333	76383	37955	49694	78895	48297	77507	73156	70718	90370	83658	82985	71237	77890	74948	40257	52032	35184	8218	18122	0	0	0	22678	23741	0	90243	112050	43447	44239	14616	0	4664	1796	8544	62755	0	0	87615	14575	3081	4853	9799	7827	24243	84613	28437	54958	52206	97994	81270	96010	77434	74535	0	47717	23149	27116	23624	1339	1238	34712	2432	5899	22736	22013	24263	91120	47910	3099	96563	24612	66844	0	43559	39990	4057	1382	1621	74655	42759	32713	8673	66307	3433	0	25087	3329	Lipid	0.11764706	1.3529412	0.05882353
18	C17 H23 O2 N1	274.18015	274.18048	0.061149895	274.18018	4162	5847	6937	4025	1301	2864	5884	2180	1060	7929	15222	898	0	1420	1892	3862	8521	0	4471	16160	23973	9909	3886	2692	3046	38490	3638	13978	0	2099	1984	2380	3345	0	8129	2005	4717	3380	11433	16774	24922	1914	286	0	0	4507	15468	0	3891	1520	10571	8151	1770	0	0	1473	1456	4890	1614	5541	5588	5377	0	0	2313	0	2504	11443	32648	30068	50944	5133	3078	3001	7875	0	0	1478	6020	13985	4079	5455	2638	12736	1630	2524	9790	1737	1904	30986	12261	3824	14011	9133	3613	0	7311	4919	0	2017	0	6261	1763	3206	4862	6995	1148	0	4803	0	Lipid	0.11764706	1.3529412	0.05882353
20	C17 H23 O2 N1	274.18015	274.18048	0.118819684	274.18018	10767	10817	7682	13627	4257	1819	4870	2640	2432	24095	21677	4857	0	5031	1432	10880	14108	2286	1644	26197	32769	12943	3668	8709	5021	69096	4630	30217	3475	5486	2886	6248	6381	9201	20522	6107	7251	3409	11697	32395	57582	2978	499	0	0	14910	29534	1237	6457	6473	7385	9861	3682	0	0	2611	2489	6310	4143	17354	6205	17893	0	3516	0	2821	5681	14226	62558	53138	95228	5604	6640	4532	7811	4862	907	4162	3629	28135	3645	12311	7352	28799	2596	0	4634	5849	5841	24632	19689	11445	6067	18584	27447	0	9714	7387	1720	0	0	8638	5332	7929	14579	8799	1632	1694	5479	1760	Lipid	0.11764706	1.3529412	0.05882353
16	C17 H23 O2 N1	274.18015	274.18048	0.06728237	274.18018	5889	7712	3658	3861	0	1392	3343	2305	0	9574	6944	2634	0	1195	3111	8335	11273	0	0	8207	14192	4877	1552	4949	2840	23158	2706	11309	4227	4240	4177	3237	2090	3224	7120	3405	2327	1446	7524	16223	20765	1890	0	0	0	3380	5799	0	2162	4533	4268	4225	2873	0	0	0	1010	6952	0	2566	7810	4884	0	0	978	2040	2483	8971	12097	15427	26683	5490	3927	6550	5865	2606	0	1829	4007	5356	1980	2398	0	14585	1696	0	6131	3242	1626	43343	6809	0	0	2248	4915	0	2429	4706	0	0	2380	5221	1719	2538	3426	0	1161	0	5134	0	Lipid	0.11764706	1.3529412	0.05882353
14	C17 H23 O2 N1	274.18015	274.18048	0.06188948	274.18018	7928	7716	8647	7334	3590	2920	3054	9037	0	15086	17075	4037	0	1852	3660	10948	6504	1931	4404	22610	26847	7391	3478	9328	3506	28015	3938	12271	6260	5549	6190	7859	8260	5044	19568	5352	7354	3768	11241	10741	10045	3419	0	0	0	6864	6697	0	9045	5792	7997	4051	3314	0	0	0	1626	9415	0	0	0	2391	0	0	1222	1974	4466	11233	16553	24485	33471	7422	5720	7409	4438	6511	0	2815	3264	0	3997	0	1194	12838	0	0	6512	6068	2702	33658	17440	3288	18572	4127	17703	0	8005	5228	2299	0	0	6751	4504	4136	0	7179	0	0	4345	0	Lipid	0.11764706	1.3529412	0.05882353
4	C17 H23 O2 N1	274.18015	274.18063	0.004476658	274.18015	42251	47534	46375	43280	3086	7778	36381	98226	2027	46299	23277	47879	1345	5250	37283	89839	68965	9162	16624	52359	56310	28555	30438	110655	35516	16459	50767	21629	71569	68968	69679	90247	75143	73781	48593	91074	73830	35893	68399	31932	9544	16748	0	0	0	23353	20917	0	103215	89274	49104	34524	10311	0	3117	1125	6425	74765	0	0	80319	12281	1535	3351	7878	9283	14304	86571	9019	16504	19332	76498	88384	101925	91176	73270	0	52570	32566	20072	32456	1166	2370	29668	1458	5097	26266	19181	23057	105387	40808	3577	99398	25027	58130	0	41500	43452	3137	605	834	70347	39080	36141	7457	58376	931	0	33628	1354	Lipid	0.11764706	1.3529412	0.05882353
8	C17 H23 O2 N1	274.18015	274.18057	0.03069054	274.18018	112158	125822	75270	116261	28666	23683	232071	436992	11907	107299	75829	425123	15623	44677	122603	272429	75082	22354	48313	156498	129221	22081	37104	97015	33082	74431	812346	69033	213578	303257	260781	258246	140693	196927	122946	228832	154477	152575	66130	56218	7451	43880	0	0	0	33792	34914	0	332419	437117	101708	114523	34825	0	9857	9383	23459	181491	0	754	266864	15840	7279	18214	32063	18642	40638	160495	42404	84271	82243	426197	235140	201918	189178	257654	0	474769	24515	38026	23909	1249	806	48804	12522	3762	22306	34360	62501	58872	70564	0	87213	46748	106806	0	118657	111089	13074	6646	8955	126592	381906	22359	8290	99411	12981	0	25940	7982	Lipid	0.11764706	1.3529412	0.05882353
12	C17 H23 O2 N1	274.18015	274.18054	0.03643455	274.18018	25863	27401	28917	22692	8667	4858	10187	19627	2105	61067	37380	21987	1453	5956	6143	29836	25034	3655	4737	83480	75985	7091	7838	18558	7469	53975	21654	30634	17091	63898	56612	77490	59458	53442	72830	43239	39479	12445	19487	29528	21112	7265	0	0	0	14023	15365	0	42500	19534	27793	29256	9415	0	2092	1732	2547	22604	0	0	21198	6511	0	2738	3865	5668	10442	58824	24475	59383	65421	64312	61493	68333	41287	60245	0	20058	7609	0	9353	0	931	23399	1007	2261	8599	10883	8326	38387	26426	5038	52794	9427	45788	0	28688	26099	1542	876	1009	46434	19827	4982	0	39008	974	0	8012	2412	Lipid	0.11764706	1.3529412	0.05882353
2	C11 H23 O3 N5	274.18738	274.18774	-0.0555528	274.18735	0	0	0	554	400	0	1239	0	0	0	0	0	0	0	785	491	0	0	0	0	0	0	299	0	1176	0	1536	4365	451	0	457	0	0	0	0	0	0	1808	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	387	365	0	0	0	626	0	0	0	0	0	0	0	0	0	0	0	0	521	889	0	0	0	0	21079	612	0	0	0	0	1839	0	427	0	0	8199	1221	0	2777	0	0	0	0	432	0	0	0	363	0	0	0	0	0	1806	0	Peptide	0.27272728	2.090909	0.45454547
0	C11 H23 O3 N5	274.18738	274.18765	-0.13633355	274.18732	0	0	0	0	892	13015	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11491	1259	0	0	0	2837	0	0	0	0	0	691	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68316	0	0	0	0	0	0	0	0	0	1726	19592	2916	0	3464	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	2.090909	0.45454547
0	C14 H27 O4 N1	274.2013	274.20175	-0.14406592	274.20123	2564	1898	1919	2783	0	0	3906	2564	507	1254	3506	2328	0	0	3216	2372	5113	0	0	1727	2331	2423	1652	0	0	1053	5584	2123	2975	1830	2199	2640	4230	2426	2374	2734	3028	3061	4919	1443	3873	1582	0	0	0	1254	2276	0	1489	0	1643	1693	2331	0	0	0	1728	2799	1370	2604	3134	1670	0	0	32159	1081	2175	4121	11377	0	1575	1829	3196	2610	0	0	0	1811	3857	5535	2676	2835	2127	1389	0	2521	3914	2336	3705	3756	2773	3551	2933	2462	1634	0	2135	3020	699	0	0	2525	1820	2764	1068	1962	0	0	2017	0	Lipid	0.2857143	1.9285715	0.071428575
14	C14 H27 O4 N1	274.2013	274.2017	0.042684548	274.2013	1910	2354	2138	3848	18470	1449	0	2290	3487	0	0	1316	1817	6611	0	5399	34889	1853	5585	0	0	0	0	4302	0	0	0	0	0	2178	2041	0	18386	3284	0	3128	19805	0	28643	0	0	3443	0	0	0	0	0	0	3119	1671	2680	2552	12144	372	3705	0	5360	5142	0	0	0	0	0	6066	158283	5224	9222	60523	0	0	1785	3304	1940	1855	2817	2118	0	0	0	0	0	0	0	897	1415	5705	3128	5435	5237	0	30101	7097	0	0	0	0	2443	2750	2503	0	3069	7627	0	0	0	1970	2142	0	0	0	Lipid	0.2857143	1.9285715	0.071428575
24	C14 H27 O4 N1	274.2013	274.20157	0.086559184	274.2013	1417	1742	1962	1274	3950	0	1719	0	0	1878	2225	0	1730	1914	0	2473	0	0	0	0	13988	0	0	6233	2347	0	0	11625	1250	1253	0	1820	0	3200	1618	0	0	0	0	2044	2535	0	2928	0	0	0	3090	0	0	0	2479	1094	0	0	0	1904	4647	0	1459	1652	1300	1411	1305	0	6575	4017	12492	0	0	0	0	0	0	0	0	0	0	0	0	31337	939	1376	0	1858	0	5691	2899	44355	15978	3644	31410	12993	4753	5089	0	0	1210	2397	0	0	0	0	0	0	17210	1385	1032	0	2382	0	Lipid	0.2857143	1.9285715	0.071428575
8	C14 H27 O4 N1	274.2013	274.20163	0.032267213	274.2013	6268	7458	5265	5877	4414	2968	3713	4795	1161	1891	0	1462	2038	2984	4991	8358	2983	8433	3042	1630	1277	4382	4164	6112	6343	731	5257	3265	4257	7544	3211	9841	10443	6092	3224	6141	12836	4091	5460	0	679	2784	0	0	0	0	1632	0	12523	3355	3540	3788	5798	0	0	664	2234	21867	0	0	8674	0	4352	1290	0	3771	7340	6944	0	2359	0	5544	13717	7545	3751	9017	0	5078	3756	0	3202	511	631	1526	0	0	9789	5092	5369	5313	23970	6382	17172	0	2128	0	4206	5432	922	1103	0	6714	3994	0	0	6507	0	0	3540	2405	Lipid	0.2857143	1.9285715	0.071428575
22	C14 H27 O4 N1	274.2013	274.2016	0.07560313	274.2013	0	2549	3442	3219	6192	3226	9079	2226	1222	0	3729	0	2645	11440	0	2083	3221	0	0	0	3225	0	1425	2081	1751	0	11630	7723	3520	2347	1336	0	1555	2301	0	3715	0	1897	1926	0	4169	1857	5264	0	1098	1885	2945	0	2406	2535	3393	2275	2204	1899	0	1251	2247	2037	1560	2468	3423	1063	0	1112	10923	8861	10717	0	0	0	0	2880	4096	3777	1920	2308	1597	0	0	18914	0	2042	7834	3586	0	3761	4005	5936	3929	4323	29656	18499	1971	0	0	0	1657	4314	2464	0	1442	3013	0	0	9604	3521	1406	0	3468	0	Lipid	0.2857143	1.9285715	0.071428575
4	C14 H27 O4 N1	274.2013	274.20175	0.006869105	274.2013	15191	15615	14976	14796	7597	6622	13812	78479	3960	4298	4934	25047	5655	7507	8495	33916	7234	6700	7660	7999	5067	3869	5101	7362	6510	1387	17804	3597	27575	54375	63791	26213	21786	23078	6975	30549	18299	10312	9646	1483	942	4454	0	0	0	3442	3837	0	56501	76297	13804	13071	5756	0	4960	2131	4593	27748	748	1077	38494	952	4962	6327	6208	8472	10164	8780	1103	2619	1879	94837	0	31505	13721	26046	0	55458	5474	4338	5154	2979	2403	2581	4342	3488	6567	4850	7433	4722	10516	5658	5546	1739	2319	0	15363	15273	2361	2768	3274	21058	35356	7678	0	8692	3633	0	5696	4217	Lipid	0.2857143	1.9285715	0.071428575
18	C14 H27 O4 N1	274.2013	274.2016	0.07128075	274.2013	2608	2968	0	2753	0	0	43735	3497	0	0	1742	1964	0	16463	0	3742	4096	0	0	0	0	0	2090	2395	23467	2130	11577	2868	0	4480	1824	2349	2091	0	0	4683	0	0	4314	0	0	1721	5276	0	331	0	2496	0	3146	3349	3255	1656	1712	2398	0	1135	0	4923	0	3270	5445	0	4552	0	12803	1785	5725	4126	5331	0	1730	2854	1469	3769	3466	4816	413	1145	2221	17739	0	2350	8046	9104	0	0	8663	1912	1958	14500	49880	17543	3153	1834	0	412	3619	3758	4174	0	0	0	1400	0	0	2644	0	0	22134	3837	Lipid	0.2857143	1.9285715	0.071428575
20	C14 H27 O4 N1	274.2013	274.20157	0.091805056	274.20132	4525	3533	4144	3123	1586	3621	97425	3901	0	0	4744	3266	0	55264	2594	2840	8378	0	0	0	0	1842	2699	2656	2270	12427	91194	18657	5783	2631	1859	4698	5413	2032	0	2129	4027	1172	8101	0	3150	8074	8490	903	1165	0	2952	1060	3211	4517	6612	5922	1710	3745	0	0	16583	4812	1795	3308	0	0	8744	0	121944	7525	10777	8725	2579	0	0	3731	3099	6721	5124	3307	1407	2430	1772	22925	1810	6696	25774	59172	0	3077	6708	3243	4102	3668	24083	7136	4309	1769	2686	1758	5543	7857	13658	0	3025	7562	2256	2181	1821	5243	1997	725	2159	3017	Lipid	0.2857143	1.9285715	0.071428575
2	C14 H27 O4 N1	274.2013	274.20178	0.011952947	274.2013	12918	11631	10737	11609	25616	0	20706	8343	3225	6012	3245	5836	5846	29216	6970	10424	13261	11729	11380	7563	5740	4714	4045	5592	7157	1731	26805	5581	11727	7267	7906	13531	62000	9855	10004	9775	62942	5314	13210	2602	1564	19114	511	0	0	2049	3019	0	12987	6038	9513	10036	25005	0	3212	3505	5610	13163	1288	1076	14852	1134	4335	3591	6070	15623	36356	18454	1768	2983	3225	5685	6815	8696	16066	8484	0	6854	5177	7632	2999	2425	1698	5005	4048	6548	12814	14130	11456	16251	14238	8381	7766	2833	5961	0	12969	10800	4181	3040	3432	57832	5434	9281	1150	12926	5506	0	4815	5136	Lipid	0.2857143	1.9285715	0.071428575
0	C13 H27 O3 N3	274.21252	274.21307	0.020807348	274.21252	0	0	0	0	0	8766	0	1604	0	0	0	0	0	0	0	0	1021	0	0	0	0	0	0	0	1993	0	0	12542	2332	0	0	0	2720	2016	0	0	1724	0	872	0	0	1454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2116	1098	0	0	0	1393	0	0	0	0	0	0	0	2407	0	0	0	0	0	0	0	0	0	0	237444	25465	1591	0	0	0	0	0	0	0	0	0	0	0	0	1787	0	0	0	0	Peptide	0.23076923	2.0769231	0.23076923
2	C13 H27 O3 N3	274.21252	274.213	0.015118129	274.21252	2245	1651	1831	1868	517	52322	1173	1943	0	462	966	649	0	1172	2004	2083	2716	972	920	0	0	1648	1490	2127	1296	0	0	13141	2771	1797	1813	2908	4775	3571	459	3139	3877	774	2312	0	0	5061	0	0	0	646	0	0	1515	1327	1713	2087	828	0	0	0	0	2714	0	0	1470	0	380	512	0	0	1056	3189	0	0	0	2026	2078	1226	5127	1342	0	1905	628	7844	318	0	0	0	0	250	1322	1657	1652	5070	47241	72786	6128	491	0	0	2121	2240	0	0	0	2231	2826	0	0	2874	262	0	649	651	Peptide	0.23076923	2.0769231	0.23076923
14	C18 H27 O1 N1	274.21655	274.21692	0.1296696	274.21658	0	1492	0	1665	0	0	0	17063	0	0	1832	12838	0	0	2952	13482	0	0	0	2296	1631	0	0	0	0	3928	4914	0	1457	2666	2744	0	0	3526	0	2580	2783	1635	0	0	0	0	0	0	0	0	0	0	2252	27376	1575	1515	0	0	0	0	0	4900	0	0	24609	0	0	0	0	0	0	0	0	0	0	19283	4219	6150	1862	1658	0	14392	0	0	0	0	0	1567	0	0	0	0	0	0	0	0	0	0	0	0	1431	0	0	0	0	2065	14430	0	0	1248	0	0	0	0	Lipid	0.055555556	1.5	0.055555556
8	C18 H27 O1 N1	274.21655	274.21695	0.057114117	274.21655	13627	13547	13265	12072	0	3499	18861	41411	0	3692	4745	28890	0	0	26399	92568	8027	981	4590	7592	6729	0	31044	71896	68262	1404	40388	3706	15430	19874	26521	18144	31222	14998	5256	13037	33032	27034	3901	3007	0	11014	0	0	0	3338	2274	0	31789	32171	14935	15979	14542	0	0	0	4106	79512	0	0	107951	0	0	0	5191	1653	9186	34500	0	2232	1639	31250	15157	11693	19668	13694	0	32934	34674	9097	31139	0	0	3336	0	0	23741	8197	11348	22033	13141	0	28588	2108	11804	0	16772	14230	0	0	0	25763	25614	0	0	30787	0	0	30931	0	Lipid	0.055555556	1.5	0.055555556
18	C15 H31 O3 N1	274.23767	274.23767	0.090277754	274.2377	0	0	0	0	1411	0	0	0	0	0	0	0	0	0	0	1599	0	2379	0	0	0	0	0	0	0	0	0	7237	0	0	0	36813	0	0	0	0	0	0	0	0	0	0	1934	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34499	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	2.0666666	0.06666667
20	C16 H35 O2 N1	274.27405	274.27432	0.041101098	274.27408	27159	39797	40761	33648	6118	10904	4506	4729	5544	0	11697	8315	0	9080	13080	1295022	1850	2771	1607	2485	6252	2320	8685	9751	8241	6558	12500	50293	11012	11634	11751	4780	14226	7728	5378	7258	8316	6541	0	3326	0	8864	6753	32583	32059	3209	0	9925	2496	8389	31206	34417	3094	29633	2678	4069	17362	108407	3164	3413	41326	3976	0	0	17329	0	1668	0	7678	13872	0	7140	9005	7005	2495	16260	14826	47373	0	2211	5290	3541	3155	9354	2450	2265	17655	14232	7788	22710	4445	37580	7233	3941	4128	30733	25624	27591	7559	0	2566	0	12582	2809	9086	1958	2310	11406	4464	2762	Lipid	0.125	2.1875	0.0625
20	C14 H10 O6	275.05502	275.05536	0.093052484	275.05505	17627	15738	15121	16465	39964	35473	12225	8331	34422	12328	10924	9758	58562	32429	16012	11047	8999	60120	52252	6712	10399	19942	17352	14085	18273	2804	12983	4830	7744	7572	7064	6683	17662	7451	17088	4807	19652	11164	12717	7997	11239	17939	4319	2663	3504	9651	13787	6017	12049	5524	17186	18873	31080	3113	40689	31280	22049	17635	6776	5365	14746	4163	56430	36352	16101	51301	24553	11605	2725	9389	8058	6077	5098	4302	3947	9713	3119	8794	35914	17643	29442	10990	3327	0	50770	30023	32488	29381	25447	13078	14095	9166	13412	18897	9956	5087	19974	12958	32038	51996	51848	16461	12200	9315	6587	16014	30619	3489	16070	54121	Phytochemical	0.42857143	0.71428573	0.0
18	C14 H10 O6	275.05502	275.05536	0.110789046	275.05505	40481	41625	34863	37158	77486	59667	28743	22673	64712	25290	22516	21757	114974	62564	40817	42794	23819	154096	132711	15063	16391	42114	36895	34207	29610	9483	29100	13504	20455	17288	20180	27638	38865	25171	29762	21409	47214	30649	25633	19863	18158	40476	4388	2193	4266	18471	17488	4625	24344	15608	42732	41408	60555	3474	76193	56232	46132	45480	15703	11590	34118	12957	109494	72300	40785	106514	50211	28151	13039	13353	12729	18586	15468	10693	14233	19866	2893	23433	65906	29257	52265	20749	11773	11534	85108	63103	65593	61230	61548	33779	27327	29426	38878	28038	33169	4962	42730	44323	53231	77430	80248	33463	23143	20962	11658	25729	53889	3152	33155	127410	Phytochemical	0.42857143	0.71428573	0.0
8	C14 H10 O6	275.05502	275.05548	0.15501727	275.05505	18128	19261	16962	21298	40116	15836	6506	7041	39814	18438	22525	11558	56817	16673	8455	10805	13673	36793	46239	17958	20452	31108	14400	10225	4609	3307	8075	7659	6504	6254	6699	8054	13521	4451	30452	6008	11076	9077	14163	12445	26234	16331	1775	986	1731	11602	16754	1869	8918	5195	16729	17546	25623	1436	41140	35527	18765	9986	7099	12403	10756	7207	58983	44625	14346	41832	18885	11966	11866	7456	14193	4715	5218	3986	6303	10072	1531	7246	20733	10356	15770	10867	6444	4807	42537	16027	16813	20481	20782	14866	0	9080	13010	30160	22193	2401	16629	19804	40111	60253	47465	13913	11544	7936	0	10136	34832	1126	8036	55983	Phytochemical	0.42857143	0.71428573	0.0
24	C14 H10 O6	275.05502	275.05533	0.06428029	275.05502	4470	5527	5311	4379	13267	7356	2453	1880	14026	4168	3084	3814	20914	10757	4972	3151	2836	17825	16426	1942	5787	7076	6907	4344	3606	1730	2596	1133	0	1589	3196	2593	4229	1567	4558	1980	2161	4326	2129	1026	2953	5486	3631	0	0	3042	3264	4116	2047	1980	4268	7217	8352	0	14474	12273	6298	4200	1654	1105	3251	2054	28861	13232	6789	16317	6921	4028	4185	3400	4671	1399	1947	1480	2048	3581	0	4427	8994	6098	9967	3563	2355	0	16067	6719	8240	6594	7710	2196	2904	0	6589	4742	5517	3653	4625	7224	10355	16172	15660	4196	3121	2367	2210	3348	12351	0	4999	23657	Phytochemical	0.42857143	0.71428573	0.0
26	C14 H10 O6	275.05502	275.05533	0.13361442	275.05505	5831	7614	5597	4531	9208	5918	3261	0	7696	3138	2247	5086	18835	7515	6357	7581	8051	19853	21014	0	0	6956	7214	7707	0	0	3805	1864	0	0	0	0	3866	0	4956	0	3033	8116	10895	0	3660	0	0	0	0	0	0	0	2352	0	5612	5485	6023	0	14052	7415	6239	5262	0	0	5392	0	14073	10858	4570	12566	3884	10255	0	2990	6382	0	2475	0	12383	2974	0	3367	17088	6865	15493	3744	2338	0	13914	7158	15252	5826	8273	16409	2987	3030	5963	4265	6499	0	6618	5866	7938	10172	11320	0	4468	0	0	2726	4869	0	8987	16555	Phytochemical	0.42857143	0.71428573	0.0
6	C14 H10 O6	275.05502	275.05548	0.13465352	275.05505	7735	7619	6075	6192	14244	4922	2969	3417	16669	8502	7491	3942	20963	8130	3569	2732	3908	14491	16293	4919	9317	7693	6652	4092	1339	1666	2239	2864	1774	2949	3784	4373	5826	2214	8754	2174	3790	2946	4175	3353	8620	8304	955	942	1907	4707	3231	1405	3945	2457	7521	6866	9758	1322	17064	18489	7737	4191	1972	3611	4191	3269	22787	13907	5340	17033	6462	5124	5052	2696	5746	3927	3187	1809	2406	4637	1610	2289	6863	0	5775	5127	2701	1443	15635	5652	4990	7952	8886	5220	0	1466	3450	7091	5749	2070	6480	5574	13640	23479	17459	6036	5849	2994	0	4023	11677	923	2307	22755	Phytochemical	0.42857143	0.71428573	0.0
14	C14 H10 O6	275.05502	275.05542	0.14582112	275.05505	87895	96899	74565	71392	151447	98164	52303	44188	137914	68608	47813	51631	217621	96076	60028	63976	64665	271618	223252	54131	57231	82647	75644	49719	48256	11492	46553	35678	48771	41212	37358	47380	92465	38874	83783	41062	75311	56670	59859	37141	31679	85833	4432	2268	3044	39472	44685	3951	53857	28019	78863	73116	120991	2377	161239	107304	79559	85175	28453	22297	71857	29921	211756	150832	72122	211973	97581	52082	23515	29859	26691	35540	34252	28935	42549	48484	2235	39239	107370	65564	76457	30418	24975	17948	151670	87979	111041	122563	121414	88431	49767	46560	74937	69568	63308	5080	81045	70721	102973	146072	145317	86355	52245	36257	18913	59737	102146	2545	45482	194968	Phytochemical	0.42857143	0.71428573	0.0
12	C14 H10 O6	275.05502	275.05542	0.12754966	275.05505	61209	74246	53955	67594	101243	57179	30607	30451	103801	52201	36558	29087	128252	54269	37943	53692	43369	178501	179993	46471	55731	98466	62393	36096	29449	12183	33717	20871	28398	24344	30477	34539	58809	31096	77296	24790	48362	40797	41139	25337	41253	59718	3075	1622	2370	24240	27733	3318	35223	27345	54955	58919	81103	1972	128413	88062	55197	67122	23957	30165	55770	24657	171397	109939	44777	132390	63196	45321	26692	23799	28833	22745	27747	19336	29972	27732	1761	30602	76027	54141	56779	27849	15410	14281	107955	65218	96600	69143	85757	87587	42581	42331	60929	66706	69257	3085	68189	70646	86880	105240	103268	63394	32762	31992	0	44999	79089	1993	42555	175927	Phytochemical	0.42857143	0.71428573	0.0
10	C14 H10 O6	275.05502	275.05542	0.14259861	275.05505	35483	41244	29196	31231	66761	30772	13676	13315	62316	35301	33737	20522	90614	31955	19157	22039	18990	88830	79120	29617	34526	51147	25694	18256	9008	8690	15263	16442	13873	13365	14372	14263	30516	12101	55126	10062	25380	21879	17994	22685	30907	28614	2848	1306	2745	15373	25012	3063	13216	10816	33404	31048	41263	2130	72785	56805	28114	30245	15104	18405	23118	18549	98746	73864	25559	76498	31347	23513	16114	18560	28220	9063	13174	7977	17368	14631	1814	14470	33717	23590	30680	13541	10494	10126	71806	33171	35465	32892	40709	29242	12691	18187	25094	43311	44134	2849	33198	30055	51416	75518	62172	28545	18717	17422	18610	17630	48173	1730	13662	103643	Phytochemical	0.42857143	0.71428573	0.0
22	C14 H10 O6	275.05502	275.05533	0.11831721	275.05505	11602	12095	9575	10963	24831	14722	6670	2268	25708	6092	4199	5760	23729	15822	6386	6853	4090	30840	21266	3263	3983	9622	10952	5959	8771	2466	4949	2627	4814	2661	2255	4423	7407	4130	9676	2331	6709	6290	3000	4472	4348	7896	2798	0	3297	4607	5717	5078	2791	1568	7830	9666	17436	2156	20397	18956	11208	4115	2364	1953	5137	3130	37939	24011	9296	32183	8804	5078	3262	3710	2519	3824	2995	0	2163	3775	3144	5199	15279	8870	14947	5330	2853	2814	24992	14718	16045	13435	13485	10056	6860	4048	6410	8264	5739	4996	9258	9173	15716	26590	23659	5552	7625	2764	5178	6413	15086	2753	9155	35277	Phytochemical	0.42857143	0.71428573	0.0
16	C14 H10 O6	275.05502	275.0554	0.12014777	275.05505	61051	64624	57541	56224	121233	91156	39408	38986	117407	49850	37717	39621	199342	90394	50397	60391	41684	206836	192481	37016	39993	71891	63075	40198	45686	12678	36486	28243	40850	36521	39944	44119	71494	41272	62424	28922	73427	49552	45420	27440	24767	61095	5169	3468	3864	30869	28633	5426	42274	31192	71367	61373	113969	3783	122294	83911	68184	62838	18871	23628	60804	24065	183126	106403	55110	179607	82291	40938	18781	23979	15154	30888	30035	21571	33509	37138	2809	32784	78449	56167	61785	27622	16490	16843	129185	82172	94340	84034	93640	54246	45128	38010	62548	52587	53971	5711	63299	58655	77506	114438	124975	65940	32958	20507	19482	47609	78538	3269	48785	208074	Phytochemical	0.42857143	0.71428573	0.0
18	C13 H10 O5 N2	275.06625	275.0666	0.14999552	275.06628	6240	5006	4371	6644	4649	2422	4172	5990	1494	2918	2268	7590	0	0	3467	12202	13225	5035	8465	0	2127	10894	5053	8793	3002	0	6668	1830	3987	4416	3408	5645	7132	4782	3371	2278	7267	4542	15598	0	4634	4904	755	360	392	1579	3897	852	7013	6333	5267	6619	3759	435	2618	2120	3421	10626	0	5732	10589	1734	3829	3800	2939	2573	4143	10782	1667	0	0	7205	4159	2295	7204	6092	313	3288	11499	6966	8506	1886	1595	0	1822	1983	11765	6712	3625	36601	4932	3240	20510	4518	3690	558	5879	7624	2354	1886	1270	7112	5563	2181	0	11374	0	585	8073	2498	Unclassified	0.3846154	0.7692308	0.15384616
10	C13 H10 O5 N2	275.06625	275.06665	0.10583229	275.06628	42187	36500	33516	36566	27841	21777	36155	62003	18994	18350	14852	54211	30880	9076	39407	74662	85247	39185	40006	13295	19018	44695	49959	66478	18667	2303	29717	5595	36998	48744	41670	43565	51659	48685	23978	43914	57271	46422	98920	16901	28904	27792	1024	0	0	17820	13325	0	50850	60256	38608	41478	25238	0	26692	16471	19198	60861	7320	15638	65305	9211	30605	29706	21377	30268	24430	102610	9270	10930	13534	54192	41533	25864	67546	47874	0	34839	61830	18417	57469	14267	8572	7058	27249	16900	47760	46801	38489	142585	9649	15132	102459	21551	18508	574	41950	33275	16822	22199	20227	55933	42507	11908	0	69874	19488	0	41707	32500	Unclassified	0.3846154	0.7692308	0.15384616
8	C13 H10 O5 N2	275.06625	275.06668	0.119886	275.06628	11999	15649	8127	13154	13104	8012	6373	7086	18487	10846	7347	7804	24081	5167	8909	10355	12697	18195	22760	6855	12894	26697	11464	11888	5151	2887	6148	3385	8027	4161	6315	7138	14307	7643	16161	6132	11487	9392	16139	10814	18966	11392	0	0	0	5470	9498	0	9335	8423	10024	11641	13476	0	19377	9667	9282	12647	4512	8569	12021	5026	24623	20188	7220	17468	10091	16554	5542	3962	9608	7507	6656	4677	7988	6744	0	6502	15401	7048	12189	6022	5254	3829	16006	6220	11928	15335	11913	34082	0	10165	29006	13113	10801	0	10456	10683	9142	13345	13335	13323	7768	7485	0	15516	10326	0	8177	23052	Unclassified	0.3846154	0.7692308	0.15384616
6	C13 H10 O5 N2	275.06625	275.06674	0.1647256	275.06628	5267	6252	5079	5409	8520	3431	1719	3240	10167	5495	3472	3236	12173	2885	5010	7549	4986	8554	14436	3853	6133	9441	6847	5772	2230	709	1978	0	2978	1893	2976	2369	7685	3131	6412	2328	7118	5614	6583	3650	6445	4590	0	0	0	4362	4120	0	5344	3049	6452	6348	7332	0	11434	5551	5206	5524	2728	4193	6688	3107	15547	8165	2569	10859	5552	7698	1851	2469	3078	2856	2020	926	2137	2740	0	2006	5168	0	4385	2471	1671	0	7517	3748	4542	9349	8074	16186	3690	2929	13375	5013	5779	0	6427	5517	4569	6859	6863	6605	4709	3073	0	5656	5116	0	3343	20734	Unclassified	0.3846154	0.7692308	0.15384616
16	C13 H10 O5 N2	275.06625	275.06662	0.17059417	275.06628	13406	11110	11832	15176	8365	5260	14466	16463	7573	5349	7972	14495	8810	4703	8304	22474	30099	16026	20225	2692	3820	21955	13139	18226	8210	1994	11031	4776	8551	9813	10588	14204	17111	12318	8189	10065	18200	11280	29156	7402	20354	11579	405	426	0	5757	7793	669	16186	13436	13427	13220	11573	479	4852	4215	5121	21661	3703	11448	20245	7403	9494	7138	8143	10261	12255	29497	3506	0	6822	9716	10525	6160	16722	11217	324	9446	32738	10810	15453	7153	6539	5365	8001	8030	26620	18360	14254	60591	9261	11340	37681	13383	12027	662	13844	12416	3405	5186	5071	19647	7390	8657	0	28758	3814	371	16882	12626	Unclassified	0.3846154	0.7692308	0.15384616
14	C13 H10 O5 N2	275.06625	275.06665	0.14415441	275.06628	23603	21095	18439	22038	12837	13334	15766	17993	10668	6838	8502	14120	14544	6916	15304	25400	37411	23840	19264	3511	15173	34841	19842	25636	16252	1801	14276	0	12316	15148	15541	14749	31759	17598	12489	12249	23034	20296	51437	10438	19072	20614	0	383	449	11736	11804	558	17649	16571	18266	18710	18781	290	14733	10288	10947	24330	5225	16977	24198	8974	15293	22047	12639	23322	21591	38839	0	6269	7514	20197	14410	8126	24699	12297	0	15782	27655	19252	24906	14748	10632	6198	11714	10339	34173	28602	18498	76362	10777	10526	60165	19669	16128	572	20384	16100	7955	11965	10089	22343	16198	12736	0	34278	7023	0	22898	22775	Unclassified	0.3846154	0.7692308	0.15384616
12	C13 H10 O5 N2	275.06625	275.06668	0.16976637	275.06628	17903	21918	21926	17670	18752	13956	12436	17312	19811	12536	14079	14524	19932	7647	15047	15576	28392	28892	35338	13176	16483	33473	20063	24343	10206	2845	8518	0	15584	13627	17245	14631	30370	14417	21805	14736	25761	18660	41407	14449	28773	21097	322	0	0	12237	15774	0	16369	15910	22248	15709	19681	442	18280	8869	14025	24100	7207	20568	0	12878	31293	23177	10831	25480	16663	44418	0	9851	13899	14677	13115	5717	14712	11322	0	12066	25140	16999	21776	12081	9272	5135	13641	11571	27606	25448	22190	80718	10678	23854	48766	17350	16494	0	19092	20656	12324	12626	12418	16214	15231	10209	0	32092	10593	0	15910	28789	Unclassified	0.3846154	0.7692308	0.15384616
10	C11 H14 O8	275.07614	275.07657	0.13635418	275.07617	14507	8913	10272	12030	39643	24671	3818	4162	50456	4585	4491	4823	79478	23295	5611	3849	7231	59130	52949	3446	3851	4859	7936	2935	1204	0	3436	0	6403	4311	5100	7964	15528	4574	4682	4683	10763	5030	6419	0	1130	18187	0	0	439	0	2150	0	4894	4161	13950	14081	28483	362	45477	29389	12907	5568	0	2057	0	0	73371	44045	16205	53765	23054	6327	0	0	0	5165	5134	5500	7244	3997	0	5767	5182	0	3768	1233	0	0	34637	15829	4016	19079	20417	2334	0	6552	2714	1863	0	525	9531	12842	25242	27687	34073	12357	6356	0	0	5469	31141	0	1797	84177	Phytochemical	0.72727275	1.2727273	0.0
8	C11 H14 O8	275.07614	275.0766	0.16540058	275.0762	11163	10694	9621	16015	37386	18876	3346	3293	38093	3092	0	5766	71174	16086	5468	6638	7048	48288	40975	4801	4024	4408	7468	5059	2129	0	2716	0	6455	4717	4380	6756	11034	8817	2465	6429	12557	4215	8171	0	2512	18784	0	0	0	2108	0	0	5800	6115	11964	12358	24584	293	36791	30214	12851	5791	0	2718	5833	1636	65216	37440	12051	45333	15459	8110	0	0	0	6936	8634	6525	6684	5800	0	5275	3804	0	2785	1134	805	0	34274	10713	3894	15258	18920	3818	0	0	5351	2186	0	0	9563	12156	25418	46170	48113	11345	3727	2761	0	6198	32035	0	1738	81313	Phytochemical	0.72727275	1.2727273	0.0
4	C11 H14 O8	275.07614	275.07663	0.13019039	275.07617	2478	2224	3333	3582	8176	3430	692	1405	6194	0	0	1065	17499	5495	1042	1304	1944	9855	7651	0	1008	1382	1559	2219	592	183	0	0	1628	1371	1299	1492	2703	2437	1100	1615	3292	999	2471	0	0	2855	0	0	0	0	0	0	2029	1678	2834	2605	4310	0	7969	11105	2487	1629	874	0	1788	0	16613	6583	2994	10464	3520	1331	0	0	0	1871	2708	1617	0	1313	0	1480	1697	0	1032	481	0	0	14214	3848	1269	3062	4122	2042	0	1742	942	0	0	0	2717	3200	5918	18031	20766	3204	1421	0	0	1326	8922	0	578	18032	Phytochemical	0.72727275	1.2727273	0.0
6	C11 H14 O8	275.07614	275.0766	0.100563616	275.07617	7607	6649	7934	7519	18350	12446	1807	3481	19946	1882	2306	3927	47400	11908	2929	4588	4332	28680	27226	0	3163	2443	4075	3532	1515	0	2254	0	4099	3978	2975	3448	7339	4957	3137	4621	7126	3542	4962	0	0	9192	0	0	0	0	0	0	4059	3825	8541	6322	13700	292	23923	20173	7734	3216	1438	1399	4977	0	38607	18139	5784	28265	10711	4522	0	0	0	6920	7146	4427	2290	3198	0	2767	3102	0	2236	1157	674	0	28915	8833	3662	9687	12176	1628	0	8875	4862	1336	1894	0	7139	7540	10690	26261	31149	7857	2753	1977	0	4108	17770	0	1582	44911	Phytochemical	0.72727275	1.2727273	0.0
14	C11 H14 O8	275.07614	275.07657	0.16874136	275.0762	2506	4530	2657	4035	7117	5498	2949	1807	10178	0	0	2292	16672	6317	1877	0	0	10160	11328	0	0	0	1477	0	0	0	0	0	0	1368	2525	0	5220	1985	0	2075	3672	3084	1567	0	0	5239	0	0	262	0	0	0	3340	1678	2248	2454	6716	291	10815	7426	4850	0	0	0	0	0	14632	14551	3029	7646	6183	2397	0	0	0	2138	1339	2835	1991	2839	537	1415	1701	0	1220	0	0	0	7022	3412	0	3475	5565	0	0	0	2303	0	0	0	2143	0	5553	5956	4213	4364	1519	0	0	1316	5206	0	0	20707	Phytochemical	0.72727275	1.2727273	0.0
12	C11 H14 O8	275.07614	275.07657	0.1651211	275.0762	4327	2996	6711	6333	23531	15771	0	2784	26450	0	0	3280	43234	14057	4860	3721	5546	29933	32110	2805	3211	0	6656	0	1971	0	0	0	5186	2553	2920	3455	7624	3725	2916	3420	6026	2970	4776	0	0	15560	0	0	375	0	0	0	2665	1655	4751	3812	19135	367	30522	17093	11273	3548	0	0	0	0	49658	27686	6467	32286	14422	0	0	0	1565	2905	3735	3470	2486	1991	292	4238	2504	0	1912	0	0	0	14168	8654	3961	10848	14748	0	3208	2937	2778	0	0	0	6889	7233	13419	12728	15218	7031	3810	0	0	3255	16272	423	1181	59809	Phytochemical	0.72727275	1.2727273	0.0
6	C15 H14 O5	275.0914	275.09186	0.12203054	275.09143	62796	61968	46450	62399	54213	35492	40608	54573	71001	65698	58563	40134	59630	37084	41690	54294	50167	69081	74434	60969	80142	73684	55574	64272	31098	57212	35454	37413	47060	46982	41821	45116	57616	36565	82738	43895	54872	41344	64819	45517	68515	45908	14038	8832	14365	53066	62896	12044	50386	42542	56363	57644	52805	10749	75085	62902	45552	61219	44365	59801	57786	37062	72581	55075	34784	58084	41249	66532	81995	83281	130754	37021	46332	43569	28327	53987	11642	33352	51743	26465	52434	49315	45267	30112	59662	43454	56581	42959	50436	69171	35144	45732	58947	45508	50829	15782	53658	58073	52581	74211	77391	61872	51072	53497	46865	45136	52702	8583	37437	61331	Phytochemical	0.33333334	0.93333334	0.0
10	C15 H14 O5	275.0914	275.0918	0.073929995	275.09143	275701	268450	209815	224522	256364	157640	166073	191424	296673	376657	261429	162395	284929	126773	156192	243045	186932	327964	350498	357719	396675	316698	197887	234465	124374	448265	147791	187194	166609	168370	166071	191512	247932	159129	425767	160402	235934	179320	246157	321446	373514	174618	21824	13207	18748	203301	217873	18850	188879	174803	245829	251553	211351	14515	358693	234203	140025	273702	172957	204594	251462	201158	285322	304351	125961	277595	173102	229207	434761	489243	590555	161435	159606	150425	259762	197773	15637	124799	267887	173155	241963	187763	170503	186204	271244	160618	255622	161620	208685	228464	184216	191740	224727	240328	307091	22819	234785	258010	230771	283808	267034	224501	167388	208783	128599	188548	235968	14393	153922	307282	Phytochemical	0.33333334	0.93333334	0.0
16	C15 H14 O5	275.0914	275.09177	0.082777366	275.09143	460389	533517	452083	477344	634856	444326	296268	336997	604168	652018	409060	260709	822448	373581	372302	462690	321103	893924	887662	675356	633124	589436	418531	407153	304079	453609	281245	358582	315251	300001	335795	352094	507290	299690	756969	330249	493487	315157	336591	529695	498227	412817	27374	17177	24080	345860	347035	24468	388556	285116	499269	493224	541704	19875	635853	468928	354408	502498	310670	265368	427223	350513	732935	549527	263145	758629	483260	320176	423994	621842	552818	305154	301752	258656	285306	352171	22323	246574	526650	450826	359369	317900	271150	361730	576927	357424	533561	449595	478806	545813	454475	494091	580158	427985	584663	28691	464226	470299	457841	551757	614064	464773	250223	348311	214347	388907	451230	17274	334511	783957	Phytochemical	0.33333334	0.93333334	0.0
8	C15 H14 O5	275.0914	275.09183	0.090166606	275.09143	136806	150600	94109	134248	122801	80708	87526	105601	152470	164765	134888	93444	144364	67650	91265	122700	115877	127542	174361	167918	181386	159203	116617	128836	57238	175154	84249	86871	93467	101810	89600	95418	122908	83004	229139	92339	113330	92974	146129	142793	178037	100106	16016	9303	17021	114010	136188	15015	112862	92892	118331	136560	110171	11187	186155	130541	97450	117615	84246	117052	125202	103389	155957	156729	73049	124911	84712	136996	220931	204308	330808	84571	89113	76675	84174	119262	12120	78991	149163	82798	127433	99394	83499	94921	143198	75675	130304	87479	106199	151590	80332	110208	133484	117353	131023	16541	129952	137064	131740	165900	156659	122497	98568	125410	83237	95349	129121	9696	80521	158526	Phytochemical	0.33333334	0.93333334	0.0
22	C15 H14 O5	275.0914	275.0917	0.08417682	275.09143	78218	89073	58247	74314	113107	73314	42880	58578	104463	74037	61769	45485	134316	79181	66173	60786	48929	150730	109378	84233	79128	103903	71455	82470	61420	62981	37311	63498	64939	52446	56079	58952	79749	55710	106147	61103	82697	52567	50007	84670	69766	68560	20178	14546	23221	73081	57266	21961	61428	45816	73604	69883	79501	16282	115185	100448	68155	80260	44506	39408	72537	45272	133220	98721	51010	135444	74476	52818	65933	91066	97762	53892	39475	41537	29767	58993	19010	51684	86322	69858	73249	57083	45901	57597	102776	75115	91831	69626	77025	66164	68925	72793	86301	61669	83718	23576	68346	81538	82764	124408	124161	83980	52127	63441	50151	59187	73425	19716	62647	142806	Phytochemical	0.33333334	0.93333334	0.0
14	C15 H14 O5	275.0914	275.09177	0.079466976	275.09143	465678	499235	437583	474442	526293	370539	297476	353790	577046	656103	474760	262887	721525	293199	330126	412224	324008	788534	706551	712140	755353	671924	394707	400333	284496	597240	301223	426235	325191	307455	280910	364751	494092	282926	896190	304478	448138	301449	355799	641475	564564	360690	30267	13987	16744	367967	377583	20635	357089	295791	449010	426355	452739	13859	697073	460970	338696	488486	325814	309501	464244	403436	670662	578986	261810	635835	382148	337610	550460	782850	827139	276406	284130	261720	271421	358596	14176	264156	483292	406451	412584	351144	301838	418978	548127	330939	525365	361505	421964	540846	452520	445407	548747	455566	602029	26342	469523	484038	440461	574468	554334	418633	292903	404834	264368	356860	417115	15246	324584	630169	Phytochemical	0.33333334	0.93333334	0.0
18	C15 H14 O5	275.0914	275.09174	0.083138466	275.09143	380114	374743	322377	322552	458699	351459	232064	279463	392517	428328	314482	180933	645290	304444	274398	322595	223420	693368	724936	449489	385552	391695	307943	297541	236078	281910	204760	291251	324485	212936	276080	282724	416043	276625	465454	255778	414703	236007	247345	380704	311809	351687	37701	16429	23429	257265	224084	23683	303224	219332	344365	346136	378720	20064	519695	384009	284564	378257	203457	179109	323340	243232	548394	427262	221361	576605	432704	235135	229177	360925	354472	248517	203947	208695	190015	266031	18489	200164	359007	291013	300855	236932	189783	238775	437700	330673	379842	358321	410436	324698	385361	375072	430629	280212	399559	29923	348811	324695	373456	424201	421880	367988	192847	277377	158049	269516	310693	18201	239578	567077	Phytochemical	0.33333334	0.93333334	0.0
12	C12 H18 O5 S1	275.09476	275.09512	-0.001526536	275.09476	388583	480601	410686	431738	403561	276816	281384	313784	451324	566081	419587	200447	405073	223383	261940	422358	290635	649726	772106	577696	631593	575151	336452	350188	226206	524500	263726	343323	299981	249372	265394	313696	408611	264148	702144	257462	356182	268952	345465	484480	534271	282804	20550	12856	18667	310448	331350	18963	347184	255889	444481	444204	351876	12440	545548	339392	262459	406823	269304	271295	385651	331338	563978	435003	199242	461463	285952	329317	605901	731792	805418	227415	234504	234378	268297	308816	12451	226922	390150	306848	346983	298044	243798	297861	423679	280750	424375	267051	340689	515848	346821	412749	440438	345635	528444	21280	434098	415240	392243	384913	373724	355313	252775	312199	220535	309853	369368	14031	255849	619409	Organosulfur	0.41666666	1.5	0.0
20	C12 H18 O5 S1	275.09476	275.09488	0.20694119	275.09482	184834	196962	166171	154175	262079	211219	101956	147055	249914	208884	145502	103948	358338	201286	147001	166336	112970	357695	339453	197880	190915	191610	166138	165586	148673	152377	104918	138062	144865	124574	127760	138857	202180	132417	251969	121420	226317	121503	118707	183751	162981	163364	24432	18489	20409	148582	133237	24857	140194	102839	177489	192613	210428	18545	270239	212737	155027	177325	127974	89950	165926	111919	292151	227976	119011	304282	214295	125376	125440	162298	199644	125956	121686	110969	108327	143090	18996	119092	228938	149770	171799	108163	100012	137937	245801	160959	219172	181783	186004	169920	205297	178157	214332	143205	164740	28615	174234	194364	187573	248124	263195	193663	124757	155564	111387	166684	182388	19978	138804	348977	Organosulfur	0.41666666	1.5	0.0
18	C14 H14 O4 N2	275.10263	275.10297	0.10028778	275.10266	24822	23246	23559	20171	16216	16784	19659	33392	12356	19769	12109	19550	7706	12678	18131	39871	32288	13207	15986	7257	11046	25789	21818	43184	20126	13646	22179	15766	23553	25256	23189	28315	30802	28592	9902	24521	26127	18046	36671	18282	34412	25174	1504	1564	1683	15325	13500	1706	38086	19082	20190	25560	16951	1120	7057	4412	12220	39442	10828	17634	30822	12012	9490	17281	12225	15967	17158	43963	9938	19501	28056	25839	17897	12269	23278	24039	1050	15360	35648	26300	23932	9811	12386	13526	11251	10427	45106	23691	21934	79242	27050	24706	54456	21141	20029	1841	20871	17035	7237	8924	10840	30639	14813	15728	4700	32042	7936	1367	25496	9546	Peptide	0.2857143	1.0	0.14285715
6	C14 H14 O4 N2	275.10263	275.1031	0.07915073	275.10266	115754	140259	121965	117163	83074	67330	85321	103594	82801	218354	157496	71877	81242	44960	87527	131554	114078	115523	134857	200623	270918	169947	94576	141233	77196	142776	76016	114673	85273	72312	90125	97779	154365	87246	252295	78565	134044	88583	178232	159878	307961	81192	1950	755	1022	131915	201192	844	125580	85071	124240	128174	86060	864	92590	57707	58162	121418	32913	105857	120177	125288	91168	67064	47012	89059	84342	180182	184080	245514	349682	79325	70925	53933	68615	67123	750	62860	124880	97650	92290	92299	58137	110957	75745	66245	132293	101548	90443	270369	84721	100671	212306	145418	195436	888	125746	112468	51068	68075	83970	136862	69278	102300	64824	127967	61116	630	100801	102745	Peptide	0.2857143	1.0	0.14285715
12	C14 H14 O4 N2	275.10263	275.10303	0.046179872	275.10266	143665	148737	156182	140528	86596	86341	136165	149705	71667	150654	115456	101326	59840	66428	129116	183088	234084	127394	172847	162856	187106	254063	156275	207884	151395	127548	113593	100671	119489	96910	131035	118358	186298	130809	148206	98960	172322	136082	270446	172599	259885	123671	2468	1292	1137	127970	126436	1813	152975	118880	141392	145736	114496	1512	88623	41626	66732	188801	57647	101345	172215	118538	87792	72094	63543	100186	113111	268703	141299	184365	265642	113630	81487	66886	113090	84608	1123	104508	242209	114696	184301	94640	81960	108148	57465	70659	266496	174766	151598	474248	124038	137511	396268	123817	141708	1911	152975	162738	55346	48511	49712	172092	100339	91618	67475	219496	57448	1633	178239	115036	Peptide	0.2857143	1.0	0.14285715
2	C14 H14 O4 N2	275.10263	275.10315	0.11611754	275.10266	18839	19800	14718	17143	20047	16594	11948	20109	22386	24101	27758	15610	25013	12975	17036	8380	20083	24501	26542	22948	39030	27050	17850	15722	9549	16859	5247	19173	19580	11850	16055	14320	25354	13793	33131	14845	21164	12561	21640	20908	30016	15389	877	640	766	14106	23254	656	18654	11453	15477	17705	19384	924	22975	13757	11269	18948	6889	12926	9787	13636	25237	22305	9944	24567	18506	26177	24248	26945	39916	14542	14164	9875	7614	15761	492	12848	18235	19077	15132	11836	9036	10369	15406	12991	17846	21705	18651	25415	12546	16735	29415	23326	15049	1711	17194	18682	14288	16465	13587	15030	16569	13698	13062	22112	13056	464	14002	27712	Peptide	0.2857143	1.0	0.14285715
16	C14 H14 O4 N2	275.10263	275.103	0.10897086	275.10266	57022	65641	58290	52587	40887	32204	64172	48804	28013	50551	46770	40852	20542	25314	46771	77213	110716	49068	61175	35439	43313	89503	48773	89142	62706	38086	62432	34972	44789	36643	53371	50955	80989	47210	52719	36989	83725	47240	141950	52123	74115	48303	2229	1389	1627	36814	44078	1801	67285	43208	58337	66607	48488	1280	30774	14957	35126	87650	24606	51154	63029	31238	33346	20260	33097	49392	46404	132314	37891	49042	69358	45639	31512	19886	45383	40820	1353	31034	96346	64927	57033	31274	37600	38862	28424	31506	101917	77292	63668	239054	74546	75174	166374	54363	64061	1464	58649	50049	27921	19421	21682	73210	31930	42082	18655	100338	27142	1570	99758	42663	Peptide	0.2857143	1.0	0.14285715
8	C14 H14 O4 N2	275.10263	275.10306	0.05795255	275.10266	123709	136462	105557	121602	73605	66253	78468	97111	73773	191703	134825	75667	69183	45332	74896	143880	136967	83324	115926	183432	223510	186552	89487	135828	78239	145467	84809	107544	86787	77906	89570	94742	134726	85256	216505	74962	136867	78988	170549	209724	302960	84061	2756	908	1117	137541	184544	996	122730	85711	120532	128606	75893	965	72694	47479	54385	116441	42508	96996	127714	127777	83885	75475	47479	81385	84297	170047	194315	218530	344230	86049	67258	48250	74712	80706	694	62297	122071	110761	95167	84782	61593	121748	62206	53913	115374	102433	89924	269762	97289	107806	230701	135645	173223	1326	119905	114941	57449	66083	60855	136460	65276	104527	54554	140253	55902	898	96582	85386	Peptide	0.2857143	1.0	0.14285715
14	C14 H14 O4 N2	275.10263	275.10303	0.07361433	275.10266	117351	108135	98347	106421	70515	73122	122762	94793	57572	82816	87851	71297	55170	59641	90565	134225	174474	96512	117015	73198	112403	164845	86420	141430	110999	75934	122562	102411	71950	73231	80006	97330	157530	82761	117332	73827	118447	83515	206868	106915	178336	74026	0	1301	1121	80188	83653	1583	108673	70032	107408	101424	80246	1458	60916	36000	60345	167505	52976	88543	138599	74010	59008	57051	56200	77328	78461	219447	78353	108896	161627	89792	56598	53815	94407	71500	1018	74056	156561	143580	128910	62290	67968	82098	48367	64378	199434	132343	108713	361231	151876	135008	257681	102839	124437	2192	112082	104227	49594	49702	54173	120978	67013	83944	39887	147735	44870	1575	135868	64649	Peptide	0.2857143	1.0	0.14285715
20	C14 H14 O4 N2	275.10263	275.10297	0.12739289	275.10266	9214	10555	7172	5036	5583	6619	8122	5573	3072	4931	3111	7931	2662	3455	5539	9156	9270	4413	7859	0	2271	12515	6704	11034	7607	1989	7587	5485	6415	5642	6225	7108	12957	6140	0	5734	11537	6138	11835	4887	14161	5081	1587	1324	1092	2990	3887	1223	8522	7174	8318	6641	6543	1231	3780	2062	5105	9231	3377	6772	11773	5188	4693	5823	2807	4786	6082	18390	3688	2881	5941	8226	7313	2918	3530	5520	1029	5894	8866	9638	6224	3623	5812	0	4623	3677	11634	8064	10010	29029	6187	10561	22102	6804	4027	773	8036	6838	3802	3927	5235	13994	6283	6130	1341	14268	3704	1258	8338	7745	Peptide	0.2857143	1.0	0.14285715
10	C11 H18 O4 N2 S1	275.10602	275.10645	0.060702056	275.10602	160420	161268	134244	135948	80775	75920	103206	144715	72034	194934	131211	94271	81737	53680	103843	212864	162280	115677	128246	172940	234724	209187	120872	205095	128339	152663	125788	107796	121523	108458	111915	130002	195058	129190	203296	104357	197265	98508	222029	211730	321559	89796	3208	1886	1998	135533	161922	2918	144730	112406	152337	172040	84255	2660	92868	47691	50064	222707	72395	121295	198230	127822	81217	75055	52776	91271	95976	218292	189052	239366	304843	119182	84209	65126	120258	96067	1744	79969	158205	126425	136610	95261	71771	110717	71393	59637	167891	134297	107037	322394	152337	143620	277232	153136	228369	3096	148050	143769	61562	62076	55353	173042	88506	111573	66753	194735	56317	1769	140389	104740	Peptide	0.36363637	1.6363636	0.18181819
4	C11 H18 O4 N2 S1	275.10602	275.10648	0.12747175	275.10605	51791	54217	49554	49365	42076	35933	27025	44755	43945	89976	67636	31430	47116	27342	40556	54365	73031	58328	68256	88491	118174	79277	44752	53954	30636	68803	31731	51599	35440	27784	33635	34292	55613	31040	113893	34710	58974	35011	84381	82632	132521	40261	1370	598	904	59105	93286	1145	43913	37245	50951	41237	47897	880	51567	37586	26288	48041	22769	47208	47946	59758	51764	43213	24312	45924	36389	72852	93955	85543	142497	30183	23122	24170	74556	30695	472	29968	51791	55358	45523	41975	24510	42747	55630	36136	51362	48705	40969	85435	54884	49827	93112	66843	85206	2070	46223	56436	38072	46954	48586	56961	33216	51686	42136	48786	38174	897	37256	50121	Peptide	0.36363637	1.6363636	0.18181819
2	C11 H18 O4 N2 S1	275.10602	275.10654	0.1371157	275.10605	5807	5430	5493	5981	12360	66338	2005	5770	4326	1750	1517	2792	12135	66548	4367	1599	2691	44604	11585	1853	2740	7804	6094	4376	2344	0	0	3601	10047	1707	7862	6804	35293	10332	3305	4979	34510	2312	3707	1255	1258	0	0	0	0	2632	1974	0	5937	2022	5509	5210	13700	0	6609	2151	1618	11329	1712	1306	1862	459	10549	4290	0	29899	13908	3550	0	3871	560	7260	7162	3923	0	3809	0	5921	2526	3445	2704	0	1238	376	3371	2996	3014	6878	8269	6880	12347	10394	16061	1324	528	0	6981	4820	2925	1938	2107	3562	3821	2394	933	14504	3620	0	3277	17395	Peptide	0.36363637	1.6363636	0.18181819
10	C12 H18 O7	275.11252	275.1129	0.030041153	275.11255	26860	20990	28729	25927	42551	40803	20483	27504	58453	13333	17921	17460	83991	26774	26992	22281	16270	71051	65065	19506	13559	10341	20353	13330	14602	1874	14814	17499	40474	27690	24923	28882	43228	31581	22653	37638	41738	17860	16751	5822	5706	37144	4339	1474	1461	7341	6023	1197	30630	23960	25680	26182	39994	1945	81749	41080	20042	27823	12284	8893	33289	3914	47572	46013	23084	60128	35736	15043	0	3704	4526	23509	29298	36471	14769	25062	1552	19456	11266	14020	9940	9079	15090	6315	42658	32690	17325	23618	35027	11637	24064	23131	15085	10089	6366	1833	28300	34470	30573	49006	55551	39971	19709	19136	0	19753	42903	1262	11346	75038	Lipid	0.5833333	1.5	0.0
12	C12 H18 O7	275.11252	275.1129	0.07226442	275.11255	17930	18518	14616	14968	45083	37334	14619	19752	62461	10066	10867	9553	73080	30480	23190	11275	17238	74787	65197	10762	13751	6484	19059	5442	15807	2364	8893	14586	35929	14917	19496	22519	56989	25095	14000	22943	35180	20372	17486	5183	0	26146	3103	1146	1285	4670	0	1513	17933	14301	20686	16360	40736	1479	86558	39793	22845	18898	9406	0	0	2792	65127	46973	22262	59032	33959	10321	0	3831	2192	15533	20258	24757	7122	18738	828	16602	7989	0	9749	6486	14861	5877	41412	31787	12084	15681	31730	9148	8981	20809	9296	8214	4973	1947	21196	22995	34653	44342	46712	31494	17933	7482	0	13606	54532	1507	8899	85451	Lipid	0.5833333	1.5	0.0
14	C12 H18 O7	275.11252	275.11288	0.08881379	275.11255	14364	17583	14163	16249	37712	39154	14147	13240	68372	6014	5185	6661	75288	31258	22151	12234	6556	73543	55789	8412	10079	6572	16274	8794	18430	0	9968	11868	30125	16041	15431	21432	39631	16741	9674	21011	24769	12420	6295	3306	0	22403	0	1030	1234	4695	0	1420	20269	11182	16287	15039	35902	1094	100952	34554	16112	17886	14496	0	0	0	50601	44531	19852	50384	30363	5152	0	3113	0	13157	17287	19372	9197	12792	917	14257	6941	0	4909	3739	8227	1623	34056	22975	9514	11595	21692	7953	16252	14575	12694	4876	2020	1366	14387	20411	31147	29975	29574	34756	11788	8602	0	8391	42502	1318	6850	62970	Lipid	0.5833333	1.5	0.0
6	C11 H18 O6 N2	275.12375	275.12424	0.15993358	275.1238	171448	174506	120262	149942	108294	138498	267026	184488	136834	110608	122334	125244	120098	94268	157226	181534	183364	157518	155918	136520	272164	190716	160032	216174	117612	240448	219506	120212	172932	168512	165498	169880	326218	142930	300590	167944	316222	148768	219252	107038	136682	124612	55024	40844	57752	169262	171714	52916	179218	169358	148274	162880	123312	45076	165228	126828	119676	193576	134750	152130	186712	84096	123112	105964	85102	126696	102950	223620	144740	123862	179932	150016	159290	165528	97296	181426	46624	109698	157234	79992	159730	161120	163110	84520	120024	114672	177362	104670	132188	223770	147912	152344	203182	109576	124064	53770	155094	161544	108970	141393	136510	182216	159116	162644	136778	142756	106336	40622	132628	133628	Peptide	0.54545456	1.6363636	0.18181819
18	C7 H19 O2 N6 S1 Na1	275.12607	275.1265	-0.26225635	275.126	3344	1874	0	0	0	2219	2525	0	1053	0	2005	0	0	3853	0	0	0	2207	0	0	0	0	1386	0	0	1697	5034	1559	0	0	1928	0	2532	0	0	0	3809	1106	4866	0	0	0	783	824	0	0	0	0	1888	0	0	0	0	674	0	1836	2979	2143	4406	0	3262	2034	1943	0	2934	2923	4233	1765	0	0	0	2838	2817	2037	22599	0	654	3689	1612	0	0	0	3228	2144	0	1779	0	1396	3355	0	0	0	0	2016	2311	735	2470	2476	1692	2503	0	0	1597	0	0	2901	1390	1207	0	2251	Organosulfur	0.2857143	2.7142856	0.85714287
20	C15 H18 O3 N2	275.139	275.1393	0.026232611	275.13904	13167	11301	12251	7857	7951	5602	10418	14516	3606	6122	6843	10185	2415	5797	10695	20915	19332	5095	3466	6031	7875	14161	9534	25855	13175	6226	15177	11982	13899	11955	14846	16299	18867	17045	7346	9841	15962	9584	19245	11236	17021	11636	1406	1924	2201	7663	7856	1611	15959	11175	7511	13186	7655	2058	2995	1283	5353	18947	6233	15206	17171	7853	2706	3409	3929	4365	8608	23793	5280	4549	11733	16353	11104	8064	12211	15434	2457	9040	12997	11874	12117	5606	7732	8379	1878	3543	12206	14262	7798	29819	20353	12082	30405	9415	13083	1427	6745	11366	3572	3740	0	19668	9097	13064	6418	18504	3621	1402	17298	4203	Peptide	0.2	1.2	0.13333334
18	C15 H18 O3 N2	275.139	275.13934	-0.013800698	275.139	50666	43553	43102	39943	28698	35078	83347	88488	10105	22777	22831	51407	12095	36479	42611	97816	146387	20994	41419	21656	20137	37160	45870	99985	55186	17142	86439	27869	79130	89972	78092	95236	83699	77861	20988	83912	100129	38483	144352	19392	35102	46994	1766	2882	2447	24582	15496	1688	92756	75730	43875	45987	32062	2051	9237	7446	20423	98067	12707	30236	94519	12905	16523	13057	20667	24771	48759	168466	18275	14299	23339	57938	46551	54360	90710	60618	2382	33196	51499	24567	43566	13814	20492	16260	11814	19799	68002	58343	49427	128334	41965	35198	115598	15859	18420	1736	40355	45125	15393	5695	12762	98459	44612	33401	8011	105900	11131	1732	82511	24118	Peptide	0.2	1.2	0.13333334
6	C15 H18 O3 N2	275.139	275.13947	-0.010198387	275.139	177221	189971	167363	175794	85526	102333	148679	218832	52883	217462	120560	134704	51486	77235	129664	339711	235712	147663	155117	222465	235588	165909	135270	316000	153546	141016	154516	123961	216695	197730	214347	254425	353877	259485	222915	220670	369446	114237	306991	123210	148499	137378	1587	572	523	127618	124993	555	310664	191313	181242	183468	126141	547	61921	25805	48183	287784	19778	63077	277805	72681	48674	56480	45223	76542	145559	344838	99372	197502	226188	187445	192856	170224	197093	192130	333	123774	137254	108099	118689	45578	45187	103149	35466	58447	160635	210503	165398	353521	178779	80731	371212	111814	176028	1017	179631	164421	34358	25925	35329	368701	117026	137235	50474	281033	37092	485	139113	82627	Peptide	0.2	1.2	0.13333334
22	C15 H18 O3 N2	275.139	275.1393	0.055274114	275.13904	4477	6087	5957	4597	1957	2646	7908	7132	2636	0	3800	5177	1764	0	6368	9596	5894	0	3966	2055	3228	4821	3617	11155	7590	0	6139	3214	11342	7417	8507	6402	12601	10348	0	7008	12235	6148	10763	4106	2765	4107	0	0	2858	2556	2567	0	9653	8152	4800	4372	3075	2849	0	2297	3372	8358	2456	5001	8931	1161	0	1484	2511	1602	4179	10413	1429	2281	0	9936	5818	8476	3997	8050	2383	3948	5926	4531	5512	1282	0	1316	1899	2590	9074	6249	6886	20525	9304	2812	11412	2248	0	0	4609	4470	2356	2876	0	14781	7327	4730	2367	13082	4486	0	7635	1817	Peptide	0.2	1.2	0.13333334
10	C12 H22 O5 N2	275.16016	275.16052	0.037757803	275.16016	74752	83599	64927	77539	24113	717109	3788	8205	3848	1035	4425	1802	2327	6375	85933	715352	1472	6725	11755	0	1514	6242	4143	7487	20000	0	119168	2915943	6040	42050	30553	100886	51885	16014	6264	18410	19275	25803	1467	0	0	74057	649	0	0	21454	0	0	14448	3830	71530	73162	8611	0	10591	8613	3505	305071	0	0	14585	0	51378	1883	12345	13058	4869	2270	0	0	0	5601	6865	5907	4540	6640	0	5806	3579	600642	3260	1377	1654	0	53386	46750	3341	36910	22272	2878	254321	144890	9203	78026	4366	0	77485	66853	64523	2508	3382	13557	3329	2305	0	7798	5904	0	3667	7287	Peptide	0.41666666	1.8333334	0.16666667
4	C12 H22 O5 N2	275.16016	275.16064	0.039640058	275.16016	93137	101716	100977	91936	24301	456391	83040	81510	16962	15856	47915	48744	43159	35279	39421	79127	146461	55284	46155	5930	4421	29288	32884	50966	38515	0	68191	203531	69881	111499	121569	92840	182163	109268	12549	119355	146297	36878	168645	1876	2766	46865	0	0	0	18514	5296	0	101026	72131	96829	72603	49590	1129	18714	15562	12719	112734	5289	4237	67239	1068	56739	16277	12526	65291	36688	171084	1822	6863	5911	103207	124988	119084	46977	88689	0	58550	36175	59290	34873	5438	3702	920	14681	25595	49140	40485	51297	51458	2117171	1977613	54544	21795	13056	712	72157	95618	13498	19093	21529	113977	50868	8284	0	75917	17117	0	46442	39362	Peptide	0.41666666	1.8333334	0.16666667
6	C12 H22 O5 N2	275.16016	275.16058	0.039073892	275.16016	165592	162215	148963	164137	11622	12918	8504	17454	8886	73686	237800	9733	21255	5928	13047	24302	13429	26838	35946	3238	2315	24368	9957	19997	8963	0	8219	686068	18286	15946	17461	15951	25529	17083	12875	16972	19802	10140	18441	1635	1182	9962	0	0	0	7845	5946	0	20440	11509	163629	144235	10002	0	11586	4633	5437	24139	2271	3683	20870	0	15050	9373	5550	14728	12470	15932	0	1886	0	17086	14424	11998	9936	11623	0	9408	8471	140687	5713	4063	3051	0	5815	7660	14996	9123	10596	107663	5947655	6440705	37536	198961	41246	0	152489	126978	4873	3970	6080	20546	8217	4049	0	21124	6505	0	9973	20573	Peptide	0.41666666	1.8333334	0.16666667
8	C12 H22 O5 N2	275.16016	275.16055	0.023006313	275.16016	19381	19983	16937	18356	10325	401963	5358	9868	3808	2536	4971	3345	4198	4332	24517	123700	9366	8097	8821	1350	1658	6936	5731	9875	9329	0	10439	194842	10285	15131	14008	49548	25739	15797	8601	12410	16728	5822	9161	0	863	29486	0	0	0	11263	2173	0	11887	5333	17562	17282	5399	0	4077	1274	1359	120073	855	2757	13130	0	30837	2917	1742	6963	4449	8008	0	0	0	8117	8238	7720	3657	6970	0	6320	8382	68378	4311	2295	1068	0	4910	6851	7354	13536	12106	9142	260157	180378	9233	14047	4846	533	17508	16442	10386	1055	3673	11184	5929	1903	0	10493	4023	0	5297	4074	Peptide	0.41666666	1.8333334	0.16666667
12	C12 H22 O5 N2	275.16016	275.16052	0.105721086	275.1602	0	1873	0	0	0	2296	0	0	0	0	2330	1056	0	0	0	1441	0	0	0	0	0	0	1144	0	3103	0	0	11247	1431	0	1305	1409	0	0	0	2072	0	0	2225	0	0	0	0	0	0	0	0	0	1730	1315	2873	0	0	0	0	0	0	2857	0	0	0	0	0	0	0	1347	0	0	0	0	0	1444	0	0	0	891	0	0	0	0	1014	0	0	0	0	0	2001	0	0	0	76673	58553	1877	0	0	0	1707	4186	0	0	0	1551	0	0	0	2756	1496	0	1235	0	Peptide	0.41666666	1.8333334	0.16666667
14	C12 H22 O5 N2	275.16016	275.1604	0.2632372	275.16022	0	0	0	1607	0	0	0	0	0	0	2106	0	0	0	1062	0	0	0	0	0	0	0	0	0	0	0	0	51409	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	688	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18181	0	0	0	0	0	0	0	0	1172	0	57182	19444	0	2530	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.8333334	0.16666667
18	C12 H22 O5 N2	275.16016	275.16028	0.19521485	275.1602	0	0	2126	0	0	0	0	0	0	0	3607	0	0	0	0	0	1470	0	0	0	0	0	0	0	0	0	0	74938	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2269	1964	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8444	0	0	0	0	0	0	0	0	0	0	27576	18940	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.8333334	0.16666667
16	C12 H22 O5 N2	275.16016	275.16043	0.0669508	275.16016	0	0	0	1758	0	0	0	0	0	0	5505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	191113	0	0	0	0	0	0	0	1460	0	0	0	0	0	0	1381	0	0	0	0	0	0	0	2730	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1263	0	0	0	0	0	0	0	0	0	0	0	9971	0	0	0	0	0	0	0	0	0	0	41993	53613	0	2096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.8333334	0.16666667
26	C17 H22 O3	275.16418	275.1645	0.059279464	275.16418	141899	144696	127487	122936	143525	98661	127519	164165	121896	109894	112388	107245	140398	160440	136505	178707	125812	171216	205960	192568	156831	145823	116054	145881	137529	116868	168792	151370	176396	162436	151309	158579	203551	129098	156683	174900	208098	109325	137256	138079	113065	139046	19729	16735	28792	92025	83801	22945	171732	116210	140042	139723	127924	22087	168478	134565	104154	228239	129359	81283	181106	87696	135758	108863	108538	147115	164837	156432	106162	133728	129508	110755	125761	155982	100262	167954	23603	105491	138614	112116	95544	85900	122708	112430	143904	101275	178512	110515	118747	168239	209977	185444	209526	83504	118048	20301	139120	167078	119659	153403	167759	209277	107095	160256	96454	131096	118284	22913	124846	118737	Phytochemical	0.1764706	1.2941177	0.0
0	C11 H22 O4 N4	275.1714	275.17178	-0.15822741	275.17133	6308	5709	5610	6520	0	0	2290	3040	622	0	0	3695	0	0	4742	0	2238	1348	1053	0	1036	16800	20385	27876	2332	0	0	2709	4335	0	1913	2250	18588	4683	0	2560	7509	5819	3587	0	0	0	0	0	0	6366	0	0	2649	0	5110	5742	0	0	545	472	0	18978	0	0	0	0	0	0	2915	0	2736	13525	279	0	0	1983	2389	0	0	1631	0	2848	47964	11711	61282	1605	0	0	0	0	22582	0	1918	30498	5868	3553	64935	1705	0	0	3777	5178	441	0	0	2376	0	0	951	93219	967	0	16034	2207	Peptide	0.36363637	2.0	0.36363637
2	C11 H22 O4 N4	275.1714	275.17184	-0.047584288	275.17136	3114	2756	2272	3488	0	0	790	1533	0	381	0	1386	0	0	3620	6085	0	0	757	657	0	12276	6511	53734	9503	0	0	0	1572	673	2268	5462	9734	3002	324	3048	8468	2731	0	0	0	0	0	0	0	3677	0	0	938	591	2781	3035	0	0	281	0	435	9702	0	0	12183	0	0	406	0	626	447	978	0	340	0	1279	1414	681	0	554	0	1934	1062	0	3178	0	0	0	275	349	2011	0	1698	9483	1838	3448	20440	0	377	0	2394	2908	0	0	0	7127	2207	268	0	31508	0	0	1907	536	Peptide	0.36363637	2.0	0.36363637
6	C16 H22 O2 N2	275.1754	275.1758	-0.009294341	275.1754	11652	14270	11099	12187	2298	4248	9831	16530	2298	20977	11015	7966	947	2023	8423	18219	17784	4081	5832	20246	22915	11957	10610	23175	12216	10155	8511	12914	15909	14768	16362	18653	18894	16580	20626	14648	18173	8910	19580	11174	8281	6289	0	0	0	10373	9641	0	20935	17198	13040	13540	5478	0	1066	0	3817	18749	0	2696	15663	6417	1590	1549	2368	4058	7592	28312	6214	10866	11922	16397	15165	12480	20601	13950	0	7400	12390	11316	10944	1208	1134	12452	1697	2561	13972	9733	7101	35761	19203	2680	32256	11587	21786	0	14863	9299	1789	714	874	16957	8341	11388	0	23895	671	0	11211	1447	Lipid	0.125	1.375	0.125
14	C16 H22 O2 N2	275.1754	275.17578	0.037351906	275.1754	4162	3783	3413	3706	0	1253	2670	6272	0	5112	4845	1941	0	1206	1770	4646	6097	1488	1757	12261	14997	4554	2913	6387	3051	15452	2232	0	2857	5135	2570	0	4052	4625	5572	3204	5655	2724	3969	9616	8006	1624	0	0	0	3021	6257	0	5222	2474	5519	2898	1264	0	0	0	0	4411	0	0	0	2353	0	0	1018	1653	3209	4664	0	14215	21757	3027	4105	4990	2903	3477	0	0	1442	0	1801	3131	0	9751	1158	0	2896	2710	1859	5641	5191	0	4720	5570	8566	0	3343	2522	1200	1308	0	4787	1635	2513	0	7196	1549	0	1920	0	Lipid	0.125	1.375	0.125
8	C16 H22 O2 N2	275.1754	275.1758	0.013757402	275.1754	18337	17978	17791	15029	3187	7922	9266	23622	2036	22416	16411	12646	0	1641	11479	41535	21442	4424	6080	31907	24793	11667	12852	41347	22479	15325	14529	21193	21067	20076	15413	19694	18614	23942	23349	24037	21025	12005	24771	19751	8194	17102	0	0	0	10191	9312	0	28024	21462	15618	14995	9521	0	2550	0	10145	24722	0	1272	46505	5166	1731	2864	4250	6922	13933	28106	7170	17511	18872	21022	17426	14927	18316	16507	0	12189	21101	13815	17007	1134	1229	14163	1345	6720	13532	12331	12002	55858	22020	0	54234	11357	17448	0	20225	16715	2586	0	0	24038	12573	12909	0	28402	0	0	22271	1451	Lipid	0.125	1.375	0.125
10	C16 H22 O2 N2	275.1754	275.17578	-0.028421262	275.17538	11903	10212	12564	9987	1962	3244	4996	16500	1039	15526	12898	5933	0	2668	10838	33278	6961	2491	2677	27231	23024	4198	9091	41583	30662	13543	7731	15325	13028	12756	10219	12837	16728	14228	15742	10688	18216	9995	9509	11000	3749	7099	0	0	0	8375	6058	0	17807	10576	10944	11416	4228	0	0	0	2186	32601	0	0	36732	3410	1710	1191	2999	1954	5494	20160	9523	16203	16925	12015	10362	6600	10707	8950	0	6601	9411	5586	13168	0	0	11080	1128	2586	16053	9217	6462	33562	17631	1660	65273	4210	16087	0	12798	10417	0	0	846	15161	6885	5932	0	36061	1103	0	12831	1854	Lipid	0.125	1.375	0.125
24	C16 H22 O2 N2	275.1754	275.1757	0.15343747	275.17545	1793	1334	0	2558	2732	2178	0	0	0	0	0	0	6481	882	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	770	0	0	0	0	0	0	0	0	0	0	0	0	1264	1212	2119	0	1138	0	8843	0	0	0	0	0	8999	1242	19066	68739	112738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1097	5060	0	1420	6887	0	0	0	0	0	0	0	0	2449	0	1384	11054	0	0	0	0	0	2072	0	0	0	Lipid	0.125	1.375	0.125
12	C16 H22 O2 N2	275.1754	275.17578	0.01411199	275.1754	5225	5859	4727	5642	2382	1533	2593	6111	1112	10865	5776	2799	0	3586	3148	6243	6548	1978	2278	17275	15977	0	2580	5057	4888	24863	3756	11915	5247	4325	3639	5194	8559	6564	12759	5809	9615	2954	6150	7556	5439	3684	0	0	0	5274	6827	0	5003	4572	5158	5440	3877	0	0	0	2565	7237	0	0	0	3273	0	0	3360	5661	12173	7787	0	19019	30405	4556	5412	4085	4474	4271	0	2330	2787	0	2267	1442	0	7590	0	1857	3934	5673	5693	13892	14084	0	10523	5174	12153	0	4467	7534	0	0	1346	8998	2169	3315	0	8122	1547	0	5051	0	Lipid	0.125	1.375	0.125
22	C16 H22 O2 N2	275.1754	275.17554	-0.11966127	275.17538	0	1828	0	0	0	0	0	0	0	0	0	0	0	9758	0	0	0	0	0	0	0	0	0	0	13148	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1672	0	1630	0	0	0	0	0	6409	5801	22396	1416	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1179	2010	0	0	0	5942	3673	0	0	0	0	0	0	0	0	0	0	1090	0	0	0	0	0	1864	0	Lipid	0.125	1.375	0.125
4	C16 H22 O2 N2	275.1754	275.17587	-0.009990994	275.1754	25208	27408	23764	25541	1450	6632	10510	35225	2264	19195	10134	13822	1227	2210	17727	73382	32263	4995	7283	24271	23654	23434	19799	79288	34673	7007	16998	12868	17065	18100	17694	21549	20971	19145	22558	21915	17771	17085	32296	31350	8892	11008	0	0	0	33400	47633	0	30025	22973	23721	20312	8867	0	2838	906	4716	55299	0	772	65357	13206	2199	2958	4713	3208	12890	40732	4744	9813	9810	18495	13665	16075	31999	16227	0	15042	31687	37499	21011	2682	1486	30685	1451	4411	31468	15778	11635	159332	85154	5330	159794	33316	83434	0	24647	26349	1781	342	456	22216	12719	21147	18382	63813	893	0	35039	1860	Lipid	0.125	1.375	0.125
24	C14 H26 O5	275.1853	275.18567	0.2870341	275.1854	0	0	0	0	0	0	0	0	0	0	1082	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8551	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1254	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22537	0	0	0	0	0	0	0	0	0	0	25181	16997	0	2343	0	0	0	1126	0	0	0	0	0	0	1356	0	0	0	0	0	Lipid	0.35714287	1.8571428	0.0
22	C14 H26 O5	275.1853	275.18558	0.10403838	275.18533	3796	1558	2996	0	0	0	5391	0	0	0	1516	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2865	30677	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3626	0	423	0	0	0	0	0	1801	1741	0	3005	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1727	0	0	0	0	152791	0	0	16029	6184	0	0	0	0	0	0	115643	119250	0	20993	3024	0	1688	1948	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.35714287	1.8571428	0.0
2	C13 H26 O4 N2	275.19653	275.19702	0.07418619	275.19656	5517	7224	5596	5806	3514	0	4869	10067	7034	1768	1244	4197	5793	2847	5192	12826	2775	4623	4016	1300	1103	4853	4366	12634	4432	0	4039	2740	14374	6974	30132	13372	10676	11171	3028	9754	8878	3937	5865	425	0	0	0	0	0	2258	238	0	13506	8412	7893	6843	5978	0	2169	768	1122	17778	363	0	15687	202	3307	3606	2647	5808	6466	4745	0	787	0	7927	7574	6290	4703	8207	0	4166	2305	3140	2814	0	819	0	2012	2314	2947	3908	6276	5966	8694	4866	11987	829	988	0	6016	6191	1397	1622	876	8394	4146	1790	438	10896	1263	0	3057	5755	Peptide	0.30769232	2.0	0.15384616
26	C18 H26 O2	275.20056	275.2009	0.12510005	275.2006	267890	271846	243639	244341	240556	153556	324271	253990	179611	172727	295600	158995	195722	355102	266702	325570	272687	189471	297051	246693	231534	212484	152287	188574	269859	324413	336484	460941	265962	292596	200590	286848	294017	198393	247294	345111	235234	254218	304662	213273	234123	534913	21399	13344	18492	175753	177135	11771	278103	282498	258770	243374	222491	26755	200569	300822	246810	382459	191952	185174	312796	135386	161432	156475	418735	260804	380089	337736	229977	213248	205950	164872	197126	300809	219594	286435	13589	221314	280524	469058	170046	292629	260670	236267	214065	229216	613199	198368	210561	460166	573680	469286	295397	240579	252698	16034	257635	284701	314656	302282	344818	362878	166434	274107	254248	200060	235213	11606	321093	142031	Lipid	0.11111111	1.4444444	0.0
28	C18 H26 O2	275.20056	275.2009	0.08208906	275.2006	41789	38100	34180	33272	38701	23169	59815	43396	30678	28188	30378	32610	30472	38663	39044	48202	40640	30060	45987	29647	29721	29972	28342	30418	42067	35757	62139	57299	50049	55884	37196	55034	48645	40010	28891	56458	38331	37130	43373	23627	20147	123174	9611	7837	12257	25451	22386	9284	49730	45412	34047	36858	35794	12612	34628	39154	33729	55675	33404	24964	46853	21788	25303	27363	29082	45565	52164	48141	28972	23761	27038	25872	33055	51716	32188	41423	10337	69809	41657	63114	25267	33254	35985	31233	41010	31384	80850	28735	34878	64790	116774	76026	47610	29980	26576	8681	33512	39042	31655	56515	69899	55625	39352	46436	31570	38647	39770	6621	40448	25076	Lipid	0.11111111	1.4444444	0.0
16	C18 H26 O2	275.20056	275.20093	0.13569844	275.2006	11766	14587	12907	9892	9089	6776	23489	11959	5138	3968	3628	10100	5193	12310	10824	20327	35384	5484	9846	3333	2329	16572	12482	10131	14584	6979	24118	5110	8831	14226	8070	12708	12533	9718	3278	17606	12755	12636	36842	3387	6934	10729	931	952	1071	4367	6353	1551	13881	12868	9611	10197	9510	1134	4571	8859	10414	24223	2539	12912	13049	1105	3212	4815	8711	3253	9926	34293	3032	6042	4325	6201	9039	15988	26567	16825	427	5552	18969	19178	12977	8163	14403	11655	10056	12816	29893	7713	8525	60418	17942	15068	0	9896	9374	1024	10226	9765	7539	18489	21129	18922	8607	10208	4049	18368	10825	969	19757	5063	Lipid	0.11111111	1.4444444	0.0
24	C18 H26 O2	275.20056	275.20087	0.08213238	275.2006	480611	500363	438039	451489	436407	338308	645122	547299	253245	418951	506806	326848	343722	573863	392001	707693	663684	307187	486661	487241	460438	383761	307536	401022	362484	1026312	656322	629723	468087	552501	347750	568769	524662	455609	414965	616489	437175	333235	694845	392150	462246	549698	34218	8665	12172	323293	394194	10394	547386	798448	485810	447002	367300	40199	301692	361252	284255	667792	242705	405952	592067	252451	325396	226190	301880	465662	566784	647542	529658	626074	722782	475832	415378	604584	579709	547734	17095	305177	411096	915419	297677	404494	458568	517616	324878	334323	686182	374559	398912	936636	1003474	769413	621460	442952	539220	15223	464055	524969	343789	452506	554831	630673	285307	449639	308852	471928	340225	10602	477661	303835	Lipid	0.11111111	1.4444444	0.0
20	C18 H26 O2	275.20056	275.2009	0.10405331	275.2006	132536	134640	131215	120420	91643	70859	239960	124558	64768	79062	80180	95430	62550	135855	110544	201361	287061	73287	110505	94157	91593	95627	80425	99881	103091	149883	267371	99810	124603	144579	90347	140906	142107	104702	75870	156650	120784	100336	284924	70192	112061	104940	8116	3001	1364	61731	99626	3187	141799	136059	122546	138916	83738	11961	69233	91674	97910	183226	57735	129590	140908	41518	82051	56633	109905	86702	110531	278451	83570	92502	143224	76499	99898	149417	280545	146360	1815	71401	176195	210017	88362	64768	202101	194654	116776	117589	248685	96329	96660	433165	268196	184479	167396	89563	101040	4115	135415	130152	106842	131534	181505	152790	91953	108083	62631	130121	109619	2128	138671	79311	Lipid	0.11111111	1.4444444	0.0
18	C18 H26 O2	275.20056	275.2009	0.110135674	275.2006	48548	52134	37430	35463	28708	26007	85671	49834	21983	16303	28023	31914	19306	33756	36552	71301	114037	25199	43286	18479	22966	30692	28990	33544	54566	34772	81917	24020	41670	47549	39094	52690	48000	37716	20951	47723	43456	39555	121183	11593	30177	32919	3052	912	957	20051	31511	1691	44292	52812	46606	40698	28870	2561	23347	31932	35729	70390	18882	35570	50327	8953	28530	19597	32357	26730	33154	120857	17436	15861	24571	33393	31443	47797	90856	51062	965	21225	59885	78743	36813	25936	67709	54000	43502	41114	103238	29755	32735	187559	74412	64119	65304	28123	30265	1683	43983	38909	35639	51861	75469	49577	29017	33522	14916	44327	31334	938	62395	15776	Lipid	0.11111111	1.4444444	0.0
22	C18 H26 O2	275.20056	275.20087	0.06758948	275.20056	321266	350061	293128	321944	237039	204974	562322	346532	167678	279426	308783	218012	162529	345946	269785	463744	690435	207236	256942	294365	302053	276218	207212	248164	292813	635930	592214	339675	350106	383945	261102	401169	378699	294549	250626	410046	330834	243550	648617	246410	330286	268881	24058	4160	4141	201194	271771	8548	397231	408441	322751	307057	219954	26608	177896	217532	225651	483935	147247	323757	402381	154471	203208	150508	234662	290484	317736	671394	344174	431181	548956	236821	253838	387497	510126	442622	7268	181175	287773	494254	211762	220047	370338	366112	242647	249132	538132	275808	263358	944495	596616	477532	413723	241397	357649	10201	290824	343543	251307	320453	347606	456594	212236	266773	175388	332695	241272	7302	350182	198956	Lipid	0.11111111	1.4444444	0.0
2	C12 H26 O3 N4	275.20776	275.2082	0.019126678	275.20776	7565	8446	8684	6879	0	0	6092	5026	0	0	0	6408	0	0	13966	4924	5450	0	0	0	0	46907	25931	23640	10815	0	0	0	5901	970	6433	13440	15593	21348	336	7457	5176	11038	6394	0	0	0	0	0	0	2960	415	0	1170	948	9154	8837	0	0	0	0	0	9437	0	0	3787	0	0	0	0	0	0	10377	0	765	0	984	9672	1899	970	2156	0	9525	8798	0	45739	1724	0	0	0	0	1643	0	0	107268	0	1086	159532	479	0	0	8469	10451	0	0	0	4337	6636	0	322	52658	0	0	14952	0	Peptide	0.25	2.1666667	0.33333334
0	C12 H26 O3 N4	275.20776	275.20822	-0.061877243	275.20776	0	0	0	0	0	0	0	1752	0	0	0	0	0	0	0	0	1195	0	0	0	0	0	8491	0	0	0	0	0	9770	0	3119	2609	12434	3742	0	2065	2443	0	1518	0	0	0	0	0	0	0	0	0	2485	0	0	0	0	0	0	0	0	1304	0	0	0	0	0	0	0	0	0	1325	0	0	0	0	1849	0	0	2097	0	0	20311	4128	21528	522	0	0	0	0	1125	0	0	1754	0	0	1747	0	0	0	0	0	0	0	0	3526	0	0	0	3008	0	0	0	0	Peptide	0.25	2.1666667	0.33333334
4	C17 H26 O1 N2	275.2118	275.21225	0.08590121	275.21182	731	901	1227	427	0	0	0	1585	0	0	0	758	0	0	512	1297	1306	0	0	0	833	1792	425	2221	356	0	0	0	0	911	1016	1260	660	1323	0	773	567	885	923	0	0	0	0	0	0	0	0	0	2024	1411	607	0	0	0	0	0	0	1026	0	0	1237	0	0	0	0	0	0	1497	0	0	0	1402	966	1779	0	831	0	835	581	31928	559	0	0	565	0	0	0	400	0	1135	0	0	1176	13659	44480	0	0	994	0	0	0	965	445	0	0	1209	0	0	438	0	Lipid	0.05882353	1.5294118	0.11764706
22	C19 H30 O1	275.23694	275.23718	0.097870044	275.23697	2013	2115	0	2207	0	0	16109	1739	0	0	0	0	0	0	1880	4091	13118	0	0	0	0	0	0	0	4683	0	15180	2318	2420	3960	1604	0	0	1373	0	4297	0	2433	11397	0	0	1726	0	0	0	0	0	0	1471	4901	2861	1891	0	0	0	0	1876	5010	0	2554	2996	0	1631	0	1860	0	3126	12650	0	0	0	0	1867	3090	11552	3221	346	0	2993	2023	1153	1892	5726	6372	0	0	7132	1674	1757	22542	4476	0	2013	0	0	0	0	2020	2790	0	0	1764	1202	1205	0	1453	0	0	4011	0	Lipid	0.05263158	1.5789474	0.0
26	C19 H30 O1	275.23694	275.2373	0.14232743	275.23697	18047	16270	18506	19219	6706	5931	102356	17693	6728	6465	22654	11611	4663	33634	16709	24012	34122	0	9852	10157	6143	13934	11217	12305	21455	32739	99153	39845	24695	28586	14976	22373	15953	13197	8664	31918	15211	21588	33079	10246	24340	15229	0	0	0	13208	19562	0	20556	25650	18483	20406	10934	0	7512	10364	16200	26439	10051	23336	29379	13425	12210	5753	31190	11477	28739	44502	21876	10755	19951	6623	12425	21996	37410	24831	0	10126	26271	47059	12085	24323	28561	29691	10205	11770	89678	9264	15081	82496	42513	28757	20161	16867	9412	0	18871	22144	13639	9091	8052	17452	10411	22710	18664	14658	10083	0	33349	3683	Lipid	0.05263158	1.5789474	0.0
24	C19 H30 O1	275.23694	275.23727	0.12914632	275.23697	12208	10924	13727	11496	3996	4272	83907	15292	2525	1518	10387	5700	2813	32313	7411	21863	27752	0	4313	5130	3995	5494	5534	8568	13297	10771	95967	15823	8909	15325	7229	16040	4828	6643	3390	17345	4700	10788	27601	2636	10791	7024	0	0	0	5060	9702	0	11495	16285	11727	10284	5595	0	2091	3430	7168	16316	4427	11526	16209	4242	8802	2235	25384	7092	16820	32665	5695	3774	8050	5424	7906	11441	29570	13572	0	4959	14731	21995	8511	9613	20926	30460	4160	4798	40708	4330	8403	69346	21944	12744	10048	4577	7740	0	10223	11812	5485	2202	2564	10710	5709	10228	6577	6672	2630	0	15570	1932	Lipid	0.05263158	1.5789474	0.0
26	C20 H34	275.27332	275.2732	0.21912414	275.27338	0	0	0	0	0	0	18055	0	0	0	2844	0	0	11553	0	0	0	0	0	0	0	0	0	0	0	0	25631	2561	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21092	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13626	0	0	2417	1762	1599	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	1.7	0.0
8	C15 H5 O3 N3	276.04037	276.04068	0.09263703	276.0404	0	0	0	0	0	0	4102	0	0	0	0	0	0	4911	0	0	0	0	0	0	0	0	0	0	0	2205	3181	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1176	1010	0	0	0	0	0	0	0	8663	0	1418	0	0	0	0	0	0	0	0	0	0	0	0	0	0	684	3592	30062	1030	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.2	0.33333334	0.2
22	C13 H9 O6 N1	276.05026	276.05063	0.18450664	276.05032	4824	7591	4682	8123	4115	4830	2657	11714	5217	2242	0	17446	2619	0	8820	17751	19237	13774	7183	0	0	10459	13995	16436	4972	0	1448	0	6240	5269	5247	0	14633	7330	0	5721	16959	9843	21414	0	0	10924	0	0	2832	0	1331	0	9768	4020	6874	5168	10098	1657	6985	1950	6119	14708	0	1502	15635	0	0	7787	3717	7241	13882	20073	0	0	0	8634	5172	1612	9898	6143	1142	9565	15297	1993	11952	0	0	0	3082	2826	15853	18089	19461	46526	1987	0	38452	1643	0	0	7261	5698	3116	3014	0	15495	11278	0	0	27985	1529	0	6494	5916	Phytochemical	0.46153846	0.6923077	0.07692308
10	C13 H9 O6 N1	276.05026	276.05072	0.21471234	276.05032	11256	13086	10650	11873	21402	11725	4230	3220	24346	4932	3146	9345	32589	8150	7406	10480	8676	31396	36237	2424	3146	14445	10077	7081	4000	0	4861	0	4197	2923	3338	4920	17581	3020	6205	3392	14581	7386	11570	2411	3169	13749	0	0	428	2133	2507	0	5539	2744	11710	11409	16134	0	25936	13118	9013	11096	2565	4716	8501	1584	36237	31234	8746	31546	15419	13348	0	0	2232	3911	4896	0	9962	4558	0	4505	11626	0	7906	2671	0	0	16206	8493	12403	21867	18902	22234	0	5309	22135	5984	3650	452	13476	9593	16363	17681	15407	14686	8836	4227	0	16150	11005	0	4811	52931	Phytochemical	0.46153846	0.6923077	0.07692308
16	C13 H9 O6 N1	276.05026	276.05066	0.21898025	276.05032	17685	20092	20361	17382	29332	18412	10039	12822	20773	7929	4361	14843	33399	17824	10857	24861	26058	54015	38278	2326	3852	25205	18460	24609	10284	0	9715	3173	14974	9593	16742	20796	35758	12932	7501	11813	35091	13992	28365	5361	4876	25150	1477	1202	1626	3649	1971	2079	18680	11443	26694	18033	28697	904	19558	17164	15118	33983	3171	3808	21863	1826	39303	33549	12881	40984	25919	29059	0	2642	2182	15163	12342	5482	18197	15239	683	9990	27199	11364	15386	2913	1532	1474	23337	15615	31801	34629	27502	64937	5365	11206	43299	10506	8311	1793	19076	17130	14433	22257	20581	27601	11257	3065	0	25467	12961	1196	14114	49861	Phytochemical	0.46153846	0.6923077	0.07692308
8	C13 H9 O6 N1	276.05026	276.05078	0.25666097	276.05032	3987	3988	1903	4413	9040	4986	996	1475	14709	1292	2209	3341	14694	4027	2882	1419	2221	13087	12574	832	1328	4218	4913	1835	1480	0	1677	0	0	728	0	1552	3020	1022	3142	0	2887	3161	2338	0	2706	5748	0	0	407	0	1520	0	1203	1148	3249	2842	7997	243	10910	9062	5091	1910	1884	1820	0	0	22247	17625	5060	12658	7150	3922	0	0	0	0	811	0	1874	879	0	1594	4534	2735	2591	550	0	0	9173	0	3310	7638	7304	6153	0	0	6199	2285	2795	0	3118	3774	6494	10312	6999	3523	3723	0	0	4216	5916	0	1431	24553	Phytochemical	0.46153846	0.6923077	0.07692308
14	C13 H9 O6 N1	276.05026	276.05066	0.19599734	276.05032	25473	21678	17383	22124	27299	20733	9335	15962	29381	6752	6490	16798	52681	24566	13545	29551	22765	47983	49997	2918	5654	22772	19338	22891	5823	0	8720	0	10917	12925	12749	13470	32825	12369	7257	7831	30593	13221	26636	4616	5876	21618	0	404	907	3398	3702	1299	15779	9184	18668	17053	28721	612	31074	17548	18070	37151	0	6069	21561	3182	47925	35543	13297	58798	22989	25812	0	1564	2870	12681	9780	6571	14529	11326	323	13648	27209	0	17493	3845	2448	1185	25185	13262	36616	33353	32939	60900	6763	10796	44532	11722	6498	1195	19734	14415	18534	27967	26827	16107	11937	3576	0	32406	14906	740	14233	59347	Phytochemical	0.46153846	0.6923077	0.07692308
20	C13 H9 O6 N1	276.05026	276.0506	0.17746003	276.05032	5755	10380	10949	9804	6255	16834	9067	20685	6189	0	0	16950	8818	5286	11565	24822	16745	16840	20454	0	0	24069	15110	25081	10890	0	6825	0	14185	12939	12791	11073	16417	14710	0	8072	21753	10678	16234	0	2207	16596	2152	2040	2180	1498	2149	2936	13937	15669	9862	8249	15165	1574	10298	4248	6831	21659	0	3429	19412	0	7369	12294	10408	6893	13497	15290	0	0	0	10717	12391	12599	12134	10649	1178	13137	19959	4614	9326	0	1603	0	5721	7240	16893	15791	16856	47011	4038	3857	33912	2770	0	1944	7928	7749	6231	5715	5976	15249	10319	2690	1277	25367	4585	3112	11034	23743	Phytochemical	0.46153846	0.6923077	0.07692308
12	C13 H9 O6 N1	276.05026	276.0507	0.19741069	276.05032	14213	18512	15360	21101	29134	18622	12051	8542	34586	7372	4497	11607	42183	14765	10922	19384	16985	52123	52837	3784	6709	20949	19764	15334	4307	0	8614	0	8630	6793	9588	11570	28322	11372	11900	6233	24764	11793	19908	1982	7771	23770	539	475	793	6302	9242	678	11344	5584	15396	15633	27235	460	41818	19496	16672	24221	0	0	0	2942	60133	42463	11019	48236	24696	23073	0	1193	1278	7475	7878	3525	12086	7895	250	11182	19356	0	13542	3971	2074	1474	21445	14938	19229	35006	34731	55841	11810	8728	39871	7983	6757	502	15130	14016	20959	24257	21979	20044	14519	4945	0	27917	15007	384	8374	77742	Phytochemical	0.46153846	0.6923077	0.07692308
18	C13 H9 O6 N1	276.05026	276.05063	0.1935022	276.05032	22942	23095	17642	19896	23728	21350	15252	17196	21217	2870	3224	21192	28554	14224	11332	32272	24304	47754	49875	0	0	34850	19130	35714	9256	0	12011	0	11722	12822	22484	23324	43770	22198	2805	9047	44918	14798	41116	1754	6312	24352	1457	1479	1514	5177	2105	2334	25783	10438	18660	22313	23647	1078	27839	14937	15852	46432	1786	4890	34473	0	39685	29277	11252	42724	26758	44075	0	0	0	20962	16159	10642	26596	19258	756	15952	38224	6747	32649	3412	1691	0	21416	12024	35550	39326	36301	91783	9255	6775	63095	7619	6766	1661	24670	19915	15405	18522	20435	35960	17563	3941	0	50329	9557	1588	16066	40181	Phytochemical	0.46153846	0.6923077	0.07692308
18	C14 H13 O5 N1	276.08664	276.087	0.18078008	276.0867	45688	42495	42129	37717	49053	36947	31495	35827	42216	44863	47439	23254	60056	34359	31585	47986	38294	68587	74815	27856	42655	71872	38151	53445	32157	20124	25168	33988	30756	21197	28141	37495	58325	29799	48404	27372	60399	26233	41858	54456	99335	37731	5678	1777	2597	32525	42305	2882	40666	21130	42008	46077	49700	2492	41831	31786	29330	60804	23691	34699	42252	36455	54650	41532	26331	68182	36434	49555	24284	19830	44502	25055	20504	14371	23297	22951	2266	21523	51615	88955	33530	28295	22564	31637	54474	42794	66390	57807	50014	80657	79866	84567	82289	64450	82881	3552	45853	46249	39680	41303	49504	46690	23549	35087	17139	51265	28361	2736	34210	64757	Phytochemical	0.35714287	0.9285714	0.071428575
20	C14 H13 O5 N1	276.08664	276.087	0.14261705	276.0867	14005	16684	21281	14354	22177	9800	11489	9692	13836	23012	16838	10293	28299	12726	9306	18316	14907	16970	18897	10943	18316	32859	10767	18492	10314	5856	8914	12609	10801	5020	12307	9084	18371	13950	19778	9657	23313	6269	15540	20826	35522	16524	2986	2631	2361	16924	18006	3485	14587	8873	19700	17273	14894	2603	15657	8980	10441	19829	7306	14138	16762	12657	20352	16422	8466	21940	13226	19973	8490	5614	13816	11222	10965	5780	12077	8086	1898	9492	15662	35610	14177	11116	9606	13130	13706	7568	8887	20459	15446	31305	21538	15633	23318	27157	21670	2830	18096	15126	9150	16401	16867	19755	10617	12110	8143	16878	9962	2745	14303	22191	Phytochemical	0.35714287	0.9285714	0.071428575
12	C11 H17 O5 N1 S1	276.09003	276.09045	0.18626359	276.09006	3880	5283	3085	5207	7526	7524	4010	0	0	4869	0	1819	6261	3076	2616	7779	2891	7720	7393	2205	2849	4422	2071	3370	3974	0	4319	0	2184	2436	2815	3004	9721	5374	2985	2400	10447	2461	2420	2065	4128	3329	0	0	0	4388	5244	0	2960	2257	6649	5541	5212	0	2712	1245	2272	5085	5755	0	0	2429	3195	1316	1132	3250	3147	0	0	0	0	3863	3832	1892	2853	2176	0	2011	1351	0	1478	3843	2545	1929	1754	2929	2974	5429	2463	0	26104	23560	5495	3891	7526	0	4498	4683	2965	2877	0	6154	1850	7100	0	4331	3831	0	1737	4962	Organosulfur	0.45454547	1.5454545	0.09090909
0	C13 H13 O4 N3	276.09787	276.09836	-0.10475141	276.09784	9453	9755	9755	8874	1981	0	16831	22372	2270	1893	1691	7078	2948	0	4611	0	37637	3189	4111	0	3482	4675	3280	4742	3019	0	1372	2712	20449	21215	24322	24033	53771	10476	8487	28169	15721	10633	51605	0	1148	7649	0	0	0	2108	0	0	18574	23667	9500	5244	3879	0	2188	1159	2267	21262	494	595	1960	0	0	3085	3399	2306	6400	40977	743	2771	4098	6741	10745	39318	0	29750	0	11364	1927	1244	2416	567	0	0	1515	3125	1584	2820	6032	17696	1996	1986	6596	1080	0	0	10242	9336	1159	1159	0	62190	4920	0	0	18140	1125	0	2465	3446	Peptide	0.30769232	1.0	0.23076923
8	C13 H13 O4 N3	276.09787	276.0984	0.17425904	276.09793	29551	32627	25908	28383	21965	17212	17796	23812	15308	26145	28710	16442	15598	9845	18038	40788	34339	27754	32995	29990	34724	53113	21326	37695	20667	12102	20188	23082	21742	21136	20802	0	28705	21488	38068	18251	34769	19400	45652	36349	49885	19529	533	0	0	26114	33206	0	30779	22100	29242	30334	28054	0	0	0	14534	34239	14113	24420	34255	22886	24692	20870	11417	46154	20224	42208	18611	24739	29754	21986	15545	12473	18828	20261	0	16291	36908	23891	23019	16817	18289	20867	0	11200	33717	25233	22573	80853	25053	35498	73576	32345	38596	0	33669	24930	13047	13225	12536	28543	17106	24543	7526	35178	13817	0	27767	28296	Peptide	0.30769232	1.0	0.23076923
14	C11 H17 O7 N1	276.1078	276.10815	0.17449735	276.10782	4783	8053	5071	5984	12562	14734	6393	7492	21280	2886	0	8430	29549	10379	8651	8079	16360	28324	25083	4610	4331	9728	7972	6471	3369	0	6025	0	6806	8525	7145	7792	13732	9577	2958	8842	16168	6993	13208	0	0	18668	0	1623	1843	1948	0	1752	9731	6899	8298	5284	17774	1639	29078	23341	8620	6316	0	0	0	2223	20564	16772	10605	19534	12234	10485	0	0	1229	5227	9214	7680	13596	8607	1134	7524	6439	0	3016	1909	2595	0	20615	10712	6664	13514	11224	7250	5443	3768	12468	0	3261	2196	3985	16884	14877	31757	35165	13088	8659	3766	0	8339	21739	1629	4090	19386	A-Sugar	0.6363636	1.5454545	0.09090909
12	C11 H17 O7 N1	276.1078	276.1082	0.15600096	276.10782	18746	13996	22069	12268	45138	34263	14265	21706	51515	6912	11089	16183	64041	20019	18477	19083	38441	83288	74249	9729	19920	15775	24451	12885	11974	0	7507	10177	25911	17693	21894	17273	29491	17829	14754	19927	27871	17548	37095	2595	8073	34843	2111	1213	1640	6100	6928	2020	20216	13040	18111	18684	44834	1739	67631	41230	23459	17648	5713	14487	19582	6185	53748	52382	14627	53758	34008	27350	0	2374	3613	18847	19787	18783	15642	17207	983	15881	13648	0	9694	6799	5764	2965	47542	25687	18251	29767	34751	32521	16132	20606	30230	10315	3621	1791	17362	22720	41583	42742	49364	29774	17363	6165	0	23319	55947	1539	10914	65279	A-Sugar	0.6363636	1.5454545	0.09090909
0	C11 H17 O7 N1	276.1078	276.10837	0.09392593	276.10782	4616	5794	7092	4971	7402	0	0	7845	4706	2568	0	2524	12974	5078	1904	0	1925	17000	10560	3316	6085	7350	3221	5267	2707	0	0	699	9700	3967	4591	9138	15505	7947	4169	9807	9070	1497	1425	2344	0	11512	0	0	406	2367	0	298	9342	4276	4456	5291	10716	400	6670	2353	0	9076	1612	633	3193	0	19772	8341	1109	9567	15597	2784	356	0	0	8869	9125	6394	0	6516	0	1896	1310	1266	0	0	0	0	1835	0	1628	6048	11743	2321	9429	4701	5324	0	0	0	4495	6337	1473	1446	1391	7764	0	4280	0	8677	1673	0	0	27716	A-Sugar	0.6363636	1.5454545	0.09090909
4	C11 H17 O7 N1	276.1078	276.1083	0.17128661	276.10782	55207	59502	51313	57466	49426	76542	17302	94907	29068	7549	12957	71413	62018	36862	44785	104987	74065	68552	52085	9273	10101	49728	73163	134190	18285	1256	35098	6716	79441	51142	55735	116112	77503	93575	8148	120846	70214	37844	78287	3944	3693	89757	3324	849	955	35123	7457	899	89278	64369	56921	49799	45805	1080	35586	35140	31605	101404	8660	7473	102811	3124	62563	36824	31652	65732	78340	81348	4402	5854	3874	50934	0	103260	21702	57387	550	48261	37889	24543	41238	9694	4603	1501	39815	33687	60753	59580	81568	95468	21849	19186	93229	5527	5668	2205	49703	71286	28171	43891	51383	113643	47086	9870	5249	87930	32827	854	23185	55664	A-Sugar	0.6363636	1.5454545	0.09090909
8	C11 H17 O7 N1	276.1078	276.10825	0.17246792	276.10782	55093	56643	49698	53898	105529	74254	27290	50309	116137	28554	48147	38112	198606	52260	37020	56898	60703	172617	154678	32669	33975	26400	45439	45426	21060	2520	26538	166566	57522	49385	39467	46197	60493	55700	31179	52749	66816	29981	53185	14100	17318	86987	3611	1082	1328	18342	23062	982	44531	44762	53474	49485	88397	1641	157517	101515	45114	46939	19819	26489	56597	8284	136413	125231	46823	124784	74497	54783	9217	7294	7474	46226	49994	49989	44942	47271	685	42661	29405	22125	19151	12539	13319	5487	109818	51920	32784	80129	83312	36950	45228	61302	51392	20203	18461	1728	51560	72205	79379	117932	135975	75792	36121	31868	9481	48406	127474	915	19442	181398	A-Sugar	0.6363636	1.5454545	0.09090909
0	C10 H17 O6 N3	276.11902	276.1195	0.10688618	276.11905	2312	3213	1964	3007	5760	21370	0	5312	3032	0	0	0	8128	7064	1893	0	1511	6597	6805	0	2445	4024	3328	4174	3783	0	0	1243	12093	0	6360	4736	16226	5492	1595	3638	5127	1623	1617	0	0	6749	0	0	0	1942	0	0	4444	0	2574	2296	7743	0	3851	1772	0	6594	0	0	0	0	24215	3159	3172	10427	12173	1505	0	0	0	5189	5865	3123	0	3961	0	1851	0	982	1242	0	0	0	1433	1347	1978	3674	7219	2354	11526	3418	3884	0	0	0	2236	0	1145	1316	2423	4134	0	0	0	5873	1526	0	1404	20316	Peptide	0.6	1.7	0.3
6	C15 H17 O4 N1	276.12305	276.1235	0.14131811	276.12308	196931	230414	198088	209556	135071	94497	105862	159044	139192	506035	285483	97739	142716	74096	109632	187201	141265	177551	226794	464818	597428	294146	119250	175676	79154	443690	95363	210342	142749	133805	137901	154913	231209	139991	559583	129214	207032	102465	196609	298009	487227	103313	3611	1846	2339	198532	287371	2032	186795	143586	216854	212222	121937	2114	204160	79055	72573	183363	58969	182884	164733	225152	158133	134514	52378	138345	123505	201922	457996	609154	857874	140923	128678	113901	111006	132595	1723	87806	122804	137851	108114	132676	104632	233919	88929	73968	138019	119256	115876	252063	161068	182674	253295	246225	363068	2718	205529	189668	81240	80372	90395	206738	94927	226260	127633	154738	83506	2231	95131	182660	Phytochemical	0.26666668	1.1333333	0.06666667
22	C15 H17 O4 N1	276.12305	276.12338	0.17241034	276.12308	9781	10314	12144	8149	11717	10932	7377	11367	7164	11989	12802	9691	3296	7922	8703	14989	12099	11146	10787	8729	13814	11804	10331	18443	10735	11315	9263	14955	16134	11780	12099	13287	22505	17955	12946	12973	19437	10945	11852	13080	23720	11336	2988	4113	3105	9755	9391	2976	13823	10282	8330	11418	10344	3052	6339	8244	6341	10881	6912	8489	14065	8101	6536	5227	6441	17601	13042	11706	8532	13765	14151	16833	10301	10059	10776	15008	3064	10045	13886	16173	8246	10242	6330	9175	10619	9638	9256	17418	14288	16928	12980	14977	17044	13719	10013	3254	8537	8747	9200	10773	9794	20350	10162	13778	7704	16454	6984	2801	11405	10179	Phytochemical	0.26666668	1.1333333	0.06666667
12	C15 H17 O4 N1	276.12305	276.12344	0.14758404	276.12308	212682	258645	232363	233604	101549	86456	131338	154879	95992	526852	309074	87906	79196	60610	105653	212080	192499	136895	158076	504348	615979	442362	123439	191269	110303	522055	125580	253387	142965	135280	128747	163165	187029	149867	533073	147206	179173	94424	235403	496298	661107	95774	4408	2348	2908	208123	234160	3803	200380	150334	239635	238753	106212	3024	127098	60607	71489	235719	108346	185113	176070	297022	129263	95271	49356	120904	102777	211197	490299	711683	952388	141453	129756	106970	177081	145705	2143	95342	152267	209682	174533	153672	139857	273958	81862	67338	191728	118577	113796	287209	249864	262675	372820	287369	476483	3872	238605	237916	89324	67748	66555	187183	90839	199773	105127	209197	83581	2309	129479	149179	Phytochemical	0.26666668	1.1333333	0.06666667
18	C15 H17 O4 N1	276.12305	276.12338	0.16542587	276.12308	96059	93382	94691	85320	118832	63989	53718	75545	74205	142414	114513	48168	109957	292209	51230	99429	85677	96615	85653	152925	159207	133752	55267	98957	49629	111428	46729	104355	89192	65031	65239	89151	107788	85047	138512	69306	116343	48063	88820	153306	214933	61087	26236	2873	2946	82852	86006	3558	98906	60827	94482	93299	80900	3057	66179	70734	45776	94057	47370	81061	84490	104559	83480	57620	30801	114820	64236	104115	113940	140582	200842	67440	55243	50647	65557	66035	2636	41394	70565	121117	50583	63730	56363	97748	58539	42601	78276	68011	69753	131035	142338	128437	150038	114921	158916	4296	96677	89001	106951	62335	67683	111809	45254	80387	37439	89097	72078	3284	64615	80756	Phytochemical	0.26666668	1.1333333	0.06666667
20	C15 H17 O4 N1	276.12305	276.12338	0.15702108	276.12308	45297	48233	45121	37439	36978	37116	28029	36041	22773	45197	43135	30785	28830	28622	35520	49528	63339	42993	44611	41603	42329	58649	35029	57477	35274	30263	32330	43605	43660	33184	36729	37730	69133	43495	47283	35854	76354	27815	69176	52885	81331	38721	6541	4062	3720	31332	43471	4774	46335	31628	44758	35284	44403	3767	23787	19852	22930	58114	23761	27552	47216	31022	29338	31158	18804	37962	42711	83816	35218	35232	72237	38672	33712	25872	35049	31712	3467	30614	39914	56855	31941	27294	25394	39008	31005	22894	47902	51453	41917	74164	58427	40846	76063	46453	34757	4055	38575	41166	21600	25403	23852	57533	32788	32974	26895	53971	21152	4162	38553	38521	Phytochemical	0.26666668	1.1333333	0.06666667
10	C15 H17 O4 N1	276.12305	276.12344	0.1422696	276.12308	180783	164739	152889	152026	89116	66456	89589	138361	91105	334312	182336	96324	93096	52773	86870	168451	138229	120567	148264	323627	415383	267415	98491	158815	85921	391885	98932	162114	118243	119664	104660	116623	168237	117253	353794	111540	166327	86939	177797	343863	486295	83674	5527	2214	3123	165171	190526	3214	145099	114504	164928	167288	88688	3666	119308	57991	57167	152285	82175	161520	158171	193204	88841	95265	49363	111050	86510	190295	404573	504165	642476	113782	111376	89112	123891	113547	2272	76064	117701	145443	97191	125080	108372	182253	79396	58801	127110	91271	93187	235162	159871	169193	214006	216175	350862	4314	174241	176587	71594	63147	64160	153236	83077	172064	83162	130893	59858	2759	104648	121413	Phytochemical	0.26666668	1.1333333	0.06666667
0	C15 H17 O4 N1	276.12305	276.1236	0.08483498	276.12305	11473	10612	9510	9769	7855	0	7337	14557	9611	11010	7899	9752	8478	5993	10554	5746	16253	15744	11646	10104	21507	12111	11626	8946	6409	14288	5708	8108	13957	6440	9891	8534	14009	12607	16211	9041	11186	9772	16700	8416	13796	11676	2389	2300	2355	6429	7521	1634	16388	8831	7971	9925	11197	1784	14057	8716	7594	12493	6025	10359	10390	7139	8138	13377	9388	9782	11762	12285	10696	11880	11957	10676	15082	12247	5548	14800	2318	7761	9960	5231	7969	6101	8237	6344	10195	8321	8328	10338	11908	9139	6536	6768	14404	10156	7382	2367	9462	12930	7613	5950	7722	9572	6143	10392	6509	10987	7278	1472	8134	12102	Phytochemical	0.26666668	1.1333333	0.06666667
10	C12 H21 O4 N1 S1	276.1264	276.12677	0.11879046	276.12643	4224	5999	1460	3105	2934	2043	1860	2143	0	1696	0	967	0	0	8993	8149	3193	1564	0	0	1412	15045	6369	25241	12397	0	2955	0	4072	0	3369	3449	1870	2137	1178	2122	2522	7991	4353	0	0	1486	0	0	0	2362	0	0	3585	2482	3936	4388	1426	0	1067	0	1986	36072	0	0	0	0	0	0	1669	1302	2351	3527	0	0	0	2645	1223	1079	3021	2217	0	1307	14395	0	41214	4337	0	0	0	2820	54777	4470	6729	5414	0	0	134238	0	0	0	3458	5377	0	701	0	3194	1292	0	0	39916	0	0	0	0	Organosulfur	0.33333334	1.75	0.083333336
6	C14 H17 O3 N3	276.13428	276.13474	0.13477197	276.1343	42917	46139	40483	39949	11855	12841	28510	45296	9186	52225	44836	25154	8266	9435	29647	61564	40962	19528	27336	59033	52058	56019	32733	59762	30028	27387	28584	113032	31551	31474	36366	40351	43187	35881	56773	37051	44134	29293	51538	38311	62608	18949	0	0	0	44101	52362	0	46472	35889	45666	43401	18319	0	10111	5429	12646	50489	16346	40910	50178	26216	10808	8925	10971	15221	23687	63737	24306	41985	50547	30507	32457	33635	27612	30728	0	19607	39435	318661	31385	23325	25155	35793	7408	12785	45759	24471	21822	105635	374784	233986	82929	91113	56472	0	44226	39535	7890	6389	6983	47380	20077	43155	22317	48814	7061	0	35434	14645	Peptide	0.21428572	1.2142857	0.21428572
10	C14 H17 O3 N3	276.13428	276.13467	0.10959695	276.1343	18681	24732	17342	18295	6836	6725	14576	19245	4444	19243	12469	15305	3989	3131	16338	21412	26270	9352	13349	18920	23249	27248	15042	33744	17493	9232	15505	12006	16863	16687	15280	20627	27351	18020	19442	16876	24454	16040	29627	22096	30156	9442	0	0	0	14300	18040	0	22141	17150	21760	18182	10441	0	8461	2554	7692	26141	10237	20461	25003	10099	3878	5898	8307	7201	8309	35667	10716	20297	19350	18320	13666	14231	25231	13194	0	11438	23120	22397	18501	11431	15219	14150	4863	6996	23956	14106	11704	56297	27289	21337	46277	20469	25194	0	20246	17484	4777	3513	3166	23069	11293	20973	0	29098	5075	0	21599	5683	Peptide	0.21428572	1.2142857	0.21428572
4	C14 H17 O3 N3	276.13428	276.1348	0.12913494	276.1343	33598	37841	33818	30725	13385	14513	17984	32582	12998	40758	33045	20991	10621	7275	24709	36477	44714	18415	26301	42007	54235	50785	27362	44020	26783	27181	20654	75682	25383	21004	25837	23488	29606	24034	51510	27249	30022	24340	57357	37942	55500	19096	0	0	0	32615	47894	0	30182	30269	34558	27439	15458	0	13434	4864	12061	33779	12088	29572	35387	26822	13661	12304	9192	15154	15603	55596	21894	29706	44084	22063	19088	20060	28129	20657	0	18596	37576	528954	28339	19251	19774	26544	10440	14020	39600	22469	19269	77945	216636	230001	79653	112380	45769	0	32314	38953	12084	8167	7323	26939	18856	40555	24145	37780	10087	0	32336	12493	Peptide	0.21428572	1.2142857	0.21428572
16	C12 H21 O6 N1	276.14417	276.14453	0.121310525	276.1442	28760	27460	26166	29649	47836	39913	27577	21544	42140	5492	11587	18399	58661	44878	27080	29598	129206	66164	60290	5669	11918	5659	27300	11158	26395	1831	30042	64275	39268	32788	22973	32311	31525	32737	6816	42904	38035	19617	87409	2151	17009	35259	4800	3914	6699	4455	37909	3590	20638	20982	26872	23586	41652	6622	41198	37361	26919	24758	6728	15693	20072	1531	29332	27562	27047	58313	31574	128259	0	2472	13665	19724	34325	41096	76883	28442	5951	12349	43890	21746	37166	5822	11062	6681	51004	33053	72697	40458	27731	146649	17993	26742	79973	6820	5485	3390	28969	30408	27612	31796	46798	49973	16983	13462	4127	11981	53535	3443	28992	40262	Lipid	0.5	1.75	0.083333336
8	C12 H21 O6 N1	276.14417	276.1446	0.10555342	276.1442	59433	70135	49750	59678	69533	55019	71734	76673	57596	21586	22057	54712	120956	51441	60900	93156	106085	115592	106332	48226	34826	39177	56681	55902	43778	22104	49948	31565	100657	92868	64825	83304	77714	78449	30584	102839	78319	48540	86904	14796	20331	76142	6954	560	831	36485	34219	430	89611	72482	57018	58926	61789	2218	97091	62648	40409	72139	29752	34531	94563	13555	74120	63831	43257	88184	64776	70697	13089	16734	17222	59928	83739	101328	67993	78103	533	58759	51089	23505	32228	23828	124708	85451	78670	56122	57759	55939	63375	55716	37488	50750	75293	22611	25967	2319	66325	76386	43719	78354	95818	106285	49542	57598	11432	61894	76850	544	39417	85442	Lipid	0.5	1.75	0.083333336
12	C12 H21 O6 N1	276.14417	276.14456	0.095067665	276.1442	37589	35863	45239	42316	106676	98457	91422	100713	82670	22589	29517	60474	138332	98075	81214	56738	156811	184771	198341	43984	50546	19875	71262	27306	78776	21651	21149	220516	186044	66635	102168	67784	139553	137435	34223	135076	101626	67149	167948	12020	10948	100878	9321	1178	1790	30658	20530	1686	67629	49932	40588	38449	111668	3862	133237	80970	57480	104113	28907	32137	47819	10999	98880	86879	158531	144857	117557	140873	18651	20513	9912	74718	135303	99025	62554	75007	750	73964	41050	43118	32684	27648	86997	42858	102580	90056	74379	72786	105750	54259	53539	48884	51472	22326	10207	3840	41605	72862	71044	80943	111708	94611	61395	20093	0	70528	114795	1771	52547	121624	Lipid	0.5	1.75	0.083333336
14	C12 H21 O6 N1	276.14417	276.14453	0.0880476	276.1442	50610	44927	45002	50209	75530	99624	74800	80168	84475	12725	19806	29340	133485	180533	93896	79850	51681	163391	139581	27779	27133	19742	63993	38412	96225	14690	43484	65833	156782	104400	67872	98253	138648	98696	15088	137031	104236	70028	39938	4009	7951	91280	9749	1727	2664	19271	13563	1559	74762	57192	41029	42471	93967	3256	139218	74380	42684	76938	10815	22436	77696	3985	79918	69846	263847	102468	109075	31635	0	12988	6702	58860	77014	129704	58992	81130	1659	52927	42831	35610	30041	18573	44089	24420	91801	85054	71074	56357	78023	27609	51703	40559	59077	14276	19915	4771	49114	74317	64160	70462	94104	125657	41736	26569	0	53983	90835	2160	52440	94131	Lipid	0.5	1.75	0.083333336
0	C12 H21 O6 N1	276.14417	276.14468	-0.038295157	276.14417	14176	15584	15805	15602	19572	17636	11699	28409	15546	5675	3112	12912	24246	16471	8702	6475	19231	32399	25679	6346	13729	12518	12042	15034	6902	0	2160	2729	66658	12423	28847	29141	60746	40725	11256	28915	33643	8785	26456	4322	2164	27646	0	0	0	7101	0	0	34192	14773	14688	13519	23923	0	15145	13013	6120	34777	5748	1772	13538	994	21787	16735	12420	25880	40565	27715	957	3304	0	37237	44878	23204	5681	31068	0	12526	8674	0	7885	2049	2485	0	7600	7570	9825	21423	29230	15879	13782	12833	26728	2910	0	0	16248	15822	9197	10134	10723	23524	6313	8527	2207	25394	12916	0	6303	40153	Lipid	0.5	1.75	0.083333336
18	C12 H21 O6 N1	276.14417	276.14453	0.1618623	276.1442	2691	2118	3324	3158	6653	3793	2332	4482	5035	0	4499	4585	4255	7482	2818	2980	5116	5187	3610	0	0	0	2985	1955	1554	0	3134	27083	8078	5348	2383	6030	4238	5319	0	6425	4321	3427	2457	0	0	5092	1786	1412	2650	0	0	2013	4784	2111	2534	3962	4416	1847	5661	5739	4691	3297	0	980	3619	0	6336	3253	3681	5725	4353	5145	0	0	0	2755	5416	7899	5420	0	2223	2179	1856	5163	0	0	1172	0	5035	3991	3103	3441	3280	6498	9867	0	3106	1550	0	1510	2287	6272	4371	4809	7953	5494	0	2058	0	1732	5375	1638	2479	3711	Lipid	0.5	1.75	0.083333336
2	C11 H21 O5 N3	276.1554	276.15598	0.28731534	276.1555	6858	4248	7018	5395	2414	0	662	1938	2867	0	6520	1387	2503	1301	2202	800	2791	4362	3205	518	354	3124	1852	3533	1461	0	0	38849	2309	1762	2470	2168	4801	2055	1158	2150	2615	2507	2796	0	0	4278	0	0	0	631	0	0	3020	1027	5109	5664	2900	0	2749	1375	1476	3698	0	286	1352	0	2947	1597	0	3521	2204	3379	0	255	0	1897	2685	1867	293	1056	0	1234	1522	188050	1394	0	0	0	1427	1629	1886	2517	2527	4306	0	48443	7687	32178	344	0	7674	8363	2665	1788	1556	2282	1121	759	0	4239	2135	0	1760	5566	Peptide	0.45454547	1.9090909	0.27272728
0	C11 H21 O5 N3	276.1554	276.15594	0.015671944	276.1554	6712	7179	7567	5425	6087	41080	1413	7553	5252	1445	4706	2498	11881	7327	2674	0	2998	19988	9261	0	3151	6146	4125	2914	4730	0	0	27721	18257	2247	9396	7023	29520	7647	4851	5888	10367	4058	4959	0	0	12680	0	0	0	1817	0	0	7459	2213	6169	5970	10229	296	4138	2344	1662	7535	964	0	3173	0	12177	2974	5236	8851	16562	4922	0	0	0	6459	6322	3103	0	4770	0	3025	3197	155660	2053	0	0	0	3566	2498	3360	6021	7725	3243	190402	64641	7786	30902	0	0	5101	7645	2925	2320	2731	3428	2467	0	0	9830	3558	0	2080	22615	Peptide	0.45454547	1.9090909	0.27272728
12	C16 H21 O3 N1	276.15942	276.15982	0.13967462	276.15945	42935	46796	52285	48750	17487	14562	29666	37592	13896	102311	61101	21126	8867	8465	19715	54135	46971	23010	28060	130299	133354	75644	18730	55864	27394	128057	33613	53525	29396	33922	27427	43864	37419	33112	96844	40964	40515	22363	55511	91661	135197	21566	914	497	677	44090	55665	851	43648	36203	52320	52486	21928	651	14942	4658	12471	49659	13410	36896	40674	40297	12733	11988	9752	19313	18147	62744	94280	141224	176686	34491	36346	26975	48847	35694	499	18304	27992	34596	24295	23881	24862	64532	11692	10325	38664	25565	17815	96704	79102	49145	87389	50510	96744	865	46820	54217	13079	8177	8808	48469	20543	42573	0	41149	13892	662	27984	14450	Phytochemical	0.1875	1.3125	0.0625
4	C16 H21 O3 N1	276.15942	276.15994	0.11930887	276.15945	313725	333423	308444	314923	63188	102433	201030	475292	48441	445346	197037	301938	50335	39695	393135	485064	442594	132837	180873	490168	532861	337031	198329	411351	217527	270869	217243	201025	361934	348940	427746	425549	516349	422612	590240	442924	478938	440395	480412	304031	243900	166322	1394	735	597	186207	179675	892	642057	410052	325880	255921	139478	848	82987	19369	71125	441194	10945	36239	450065	154760	58038	68421	56427	124531	158843	550029	212375	357410	441189	369316	357033	336421	523746	336118	367	306719	212930	146791	222803	41608	65262	220681	33175	58702	195658	183383	200352	390038	272291	121971	498843	192733	361828	2051	279425	333158	35631	22680	25079	427756	260495	305160	81502	345499	30698	689	230407	73130	Phytochemical	0.1875	1.3125	0.0625
18	C16 H21 O3 N1	276.15942	276.1598	0.14372543	276.15945	58534	61186	46730	47132	31563	22230	33296	38585	13107	102599	105330	30735	20324	17504	24112	76793	66507	28234	37182	114411	127684	85741	26947	57554	22943	153793	31930	88607	41943	35066	40847	44951	54576	42476	82450	42948	49780	23171	71835	94634	154864	26561	1184	805	866	49949	75481	687	48993	34838	49807	49661	28805	888	19842	12086	17454	58164	23334	61971	47772	62052	20330	13552	17095	30029	31320	71803	130814	115358	209861	34607	32468	32711	55257	41188	590	23997	40214	69424	27282	46704	36344	82227	20389	18490	38669	30014	28555	98667	82051	77296	81535	76496	87916	748	51183	48643	19897	14810	22491	58780	24369	58063	32305	43320	17681	1033	35640	20040	Phytochemical	0.1875	1.3125	0.0625
24	C16 H21 O3 N1	276.15942	276.15976	0.18566167	276.1595	4982	7982	7546	9719	5941	3701	6193	10433	1178	5291	8585	10142	1537	3195	6025	10005	9208	3885	2750	5443	5336	4570	4579	7425	2459	2789	6377	10739	10205	19782	14751	22092	8770	31215	4079	21937	10756	6042	9693	6648	11071	5562	0	0	0	4345	5513	0	13554	12876	9487	7891	5616	0	4653	1668	1162	5298	4441	7167	10543	5401	1709	2149	1881	1608	7025	10252	4327	1821	6669	25355	34869	49672	9388	20520	0	7145	3357	7669	3447	3952	3512	5019	2503	0	2855	5523	5329	11860	7449	8698	6631	7674	7449	0	9545	7797	1857	1532	1843	10759	10711	8731	3301	9888	2896	0	5815	1537	Phytochemical	0.1875	1.3125	0.0625
14	C16 H21 O3 N1	276.15942	276.15982	0.15549853	276.15945	57702	54167	54934	52418	21765	21192	27463	39494	18934	106852	71713	28987	14100	13367	20277	46985	58035	18963	24174	111973	120491	67909	22082	39493	26621	138493	32892	58455	27152	35208	38589	41795	40873	35250	94648	34416	41419	18522	66623	118172	168551	24250	0	783	551	50990	76477	755	52946	29738	54134	49375	21752	684	13386	7242	17517	48978	15244	55288	32910	53721	15119	13658	9399	24776	27542	71231	90915	141318	237391	36497	38261	24551	48128	39824	319	21570	30569	43316	26617	32392	37947	90126	12500	10794	38356	28404	26496	121571	68763	61708	68294	67868	96854	662	44091	47038	13781	9548	11650	43444	26033	56673	27480	54033	11225	490	38499	14389	Phytochemical	0.1875	1.3125	0.0625
10	C16 H21 O3 N1	276.15942	276.15982	0.12678884	276.15945	65126	58131	56939	48685	22150	18375	31725	58162	17445	121765	68365	32295	17365	21883	33468	72516	63379	30123	35653	143162	156729	62631	29648	68597	36385	142356	43405	53582	52546	51414	45793	59696	66334	59511	139135	49495	71108	29934	79176	98631	101417	25720	864	928	620	49522	62089	708	69571	47439	56312	55805	24626	774	21783	8956	11914	64604	8706	36647	75922	46510	16361	16115	18889	31381	27236	84072	108430	170538	190047	53352	52217	46121	74489	50556	527	27563	38174	48828	34771	16692	14995	61166	15497	14737	42245	34719	28751	91991	77553	33641	97723	53916	115333	863	56591	58546	12745	8632	8443	61675	28132	50851	21682	53723	14208	593	35104	22018	Phytochemical	0.1875	1.3125	0.0625
6	C16 H21 O3 N1	276.15942	276.15988	0.09947264	276.15945	206590	215206	184850	192085	50184	61339	141784	305091	39208	367705	162722	122717	35730	33861	118024	270693	443719	80212	106027	373195	426784	174838	111319	243893	136984	269055	144100	143041	318078	212854	226315	321327	328758	298839	454148	254044	312439	122877	541327	180560	187823	119095	1769	603	417	118488	124369	610	509917	265947	211243	211797	118155	812	48869	17157	38492	254926	8412	61893	234679	108676	46773	37953	29872	115184	127533	681747	185811	339097	441280	201031	195328	136141	398522	197337	316	106558	140418	92451	151876	29931	31425	164383	23659	42138	122505	163732	132600	274868	153831	62506	295689	124642	230272	694	198697	184907	24541	16536	19138	298389	108753	148753	53722	206440	24855	521	167496	59446	Phytochemical	0.1875	1.3125	0.0625
8	C16 H21 O3 N1	276.15942	276.15985	0.12142949	276.15945	94463	88616	76397	93616	34237	31633	49980	92553	26226	190365	96191	51176	30581	22819	42324	105200	103898	43722	68375	231584	239626	97370	49471	102749	47211	195341	58264	82511	90122	77237	73209	98459	104858	95155	233393	82758	107020	45116	131012	147164	134119	41411	1174	743	652	68504	85295	662	114416	86998	89478	88336	43206	575	35585	11825	23506	96835	6655	47619	86176	63891	35479	30386	20701	46485	43317	139655	141771	222798	261854	85243	80991	65397	101750	87282	543	45426	62326	67734	48431	17826	19791	103929	15531	17546	51471	50609	47129	142461	107724	55629	137193	82543	139270	763	92840	87658	18105	12846	16707	99872	45388	80521	21243	79273	17626	529	57858	40004	Phytochemical	0.1875	1.3125	0.0625
20	C16 H21 O3 N1	276.15942	276.15976	0.16206364	276.15945	54831	55376	54143	47566	33776	23236	25097	34007	16440	157755	127657	22149	27551	25255	20129	54309	58029	26278	31959	178952	185462	79177	22297	45350	21572	122854	21965	143356	36677	41008	27639	41826	50467	51877	153025	41894	52683	18331	57758	116800	137011	27934	2849	1024	642	53404	59673	871	50910	36593	54081	58349	33964	1290	18743	7238	16195	46222	33159	60410	42239	74960	17590	21291	12390	30182	29525	61357	98691	122787	165761	39025	34974	34930	50961	32691	601	18628	23343	91184	20352	35402	42425	80588	15427	13971	24156	31076	28064	59898	82575	96814	47170	89972	88042	1643	47359	59133	20653	17005	9930	53347	21470	62976	37509	46719	19065	0	31578	26049	Phytochemical	0.1875	1.3125	0.0625
16	C16 H21 O3 N1	276.15942	276.1598	0.13395141	276.15945	49900	53992	52013	51226	28888	23047	34209	41632	16140	84732	63832	31251	12769	15951	25733	57807	66755	27638	29362	88598	100880	74388	25819	53424	32761	142625	35158	53221	32285	33231	30677	40117	43048	38503	74583	41294	47869	26532	76346	89775	142661	21709	1777	738	856	52575	87457	969	51254	40677	45839	47177	25400	766	16173	10491	15977	53549	24833	60501	41000	58926	16131	13967	13257	19440	26578	69007	115648	132766	181046	37334	34501	33398	56427	38788	582	20746	36921	69771	24938	41935	42766	81127	16711	15642	33639	30030	27542	111003	69912	62177	69305	73029	98443	906	50610	52180	15292	10511	11504	47240	18520	43630	27674	47639	19429	774	34076	19419	Phytochemical	0.1875	1.3125	0.0625
22	C16 H21 O3 N1	276.15942	276.1598	0.15207401	276.15945	36449	30908	26346	29656	23792	16317	13237	21674	10488	72683	71956	19475	9450	13969	13692	21905	25391	18217	18187	78390	75310	35935	9324	22941	15349	42386	12950	69326	29100	37565	27004	43030	33374	42650	59518	46010	30885	10630	23753	47854	76318	17512	0	0	668	27258	30500	0	32559	26798	30965	28280	22887	1374	10494	9349	11492	24078	18355	28052	22774	39354	12892	12157	7229	20506	23617	25942	35197	38105	66119	34325	49753	78675	24836	46088	742	17150	10842	39296	9314	17510	23306	46857	12529	12787	14679	23064	15005	25372	37600	41019	27677	43062	51941	0	26140	25853	15347	17918	23156	33459	16003	33565	22216	30126	13352	0	14442	12650	Phytochemical	0.1875	1.3125	0.0625
2	C16 H21 O3 N1	276.15942	276.15994	0.108181804	276.15945	232923	223669	216598	203247	23221	56919	157478	425974	18355	258835	107735	153600	19377	21270	194355	573457	285342	56557	77113	326662	286323	282093	166685	467434	208441	168102	207013	82610	332287	292677	279765	348242	280624	273458	271000	345287	304646	153602	287018	225416	158941	99778	950	426	651	140020	103024	563	411655	321839	192625	209720	55494	425	33228	9366	33529	439062	16128	25714	511607	97573	20342	31312	29144	39880	102523	353930	125410	220381	210823	263383	280328	337853	397517	277248	420	172633	157552	92451	148741	34912	55016	144110	12592	35441	132700	79569	112021	339350	223956	153865	617957	106258	283045	980	209428	237596	17158	7052	10689	295303	142884	308139	48994	325525	12260	780	163486	24735	Phytochemical	0.1875	1.3125	0.0625
2	C13 H25 O3 N1 S1	276.16278	276.1629	-0.8525364	276.16257	0	0	0	0	0	0	9477	0	0	0	0	0	0	0	0	0	0	0	0	0	497	0	0	0	39849	4923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	212	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8641	0	8470	4472	5799	10581	5658	14097	10677	0	0	0	0	0	0	0	0	0	0	0	0	5523	4007	0	0	0	0	0	6925	346	8327	0	Organosulfur	0.23076923	1.9230769	0.07692308
24	C13 H25 O3 N1 S1	276.16278	276.16306	0.5209234	276.16293	0	0	0	0	0	0	14063	0	0	0	0	1717	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28228	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	733	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1423	2332	0	0	0	0	0	0	0	Organosulfur	0.23076923	1.9230769	0.07692308
0	C10 H21 O4 N5	276.16663	276.16705	-0.003879324	276.16663	0	0	0	0	0	20126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1730	1756	0	0	0	2372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11312	0	0	0	0	0	0	0	0	0	0	1908	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	2.1	0.5
24	C15 H21 O2 N3	276.17065	276.17093	0.2284554	276.17072	0	0	0	0	0	0	0	0	0	1311	13551	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15215	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40168	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11957	0	0	0	0	0	Peptide	0.13333334	1.4	0.2
4	C15 H21 O2 N3	276.17065	276.17114	-0.015696278	276.17065	5658	7243	6364	6040	1574	2318	4170	10207	1047	5333	3018	5325	276	1087	4951	10543	11009	1871	3816	7053	7781	7152	4469	14317	7057	2930	6121	3620	7790	6179	6542	7407	7420	6214	6755	7085	8042	5078	14024	4959	6207	3153	0	0	0	4158	5116	0	10155	8004	4970	4764	3118	0	1300	532	1585	9084	609	1265	10009	3468	1063	1329	1231	2542	3383	14854	1379	2582	3171	7306	5902	6085	13676	6822	0	4448	7796	4612	6604	1586	1560	5078	946	1463	7739	4711	4231	19956	6119	2635	22581	4712	6878	0	6788	6963	731	0	558	9613	3712	6864	0	10013	426	0	8758	1451	Peptide	0.13333334	1.4	0.2
2	C15 H21 O2 N3	276.17065	276.17117	0.062033586	276.1707	13200	9715	11471	10737	1476	0	11967	16557	1545	10051	7255	10207	489	1474	11763	19043	20982	2733	5314	12484	14020	15309	10863	17510	12760	3134	10467	8028	13607	14165	12550	16570	16876	12518	11809	19054	14761	10858	22845	16341	16481	5467	0	0	0	8064	10591	0	17958	15111	12311	11840	3609	0	1733	256	2894	16218	1058	3529	14704	7123	1149	1590	3342	2227	5726	27986	2492	4763	5762	15653	13838	16519	25358	14095	0	9932	12995	14779	12205	3144	6883	13140	997	2350	13817	6438	6339	34455	23174	11206	31814	10831	14770	0	11561	12975	854	554	248	15320	7515	19333	4101	15258	458	0	15556	1098	Peptide	0.13333334	1.4	0.2
6	C15 H21 O2 N3	276.17065	276.17108	0.036452234	276.17065	6264	7815	6148	7491	9232	4886	3977	8108	856	6659	3984	4003	990	1290	4207	11637	7064	1829	4494	7240	7805	7516	4881	13514	6936	2912	5006	3321	5152	5369	6341	6922	12113	9101	7891	5291	18412	5660	9749	9342	4452	4388	0	0	0	4992	4290	0	9955	5777	6736	6908	5285	0	1714	0	1765	12550	0	1087	12540	2043	1510	0	1566	2122	4636	9292	0	4520	5154	7066	6004	5347	5184	6736	0	3743	4535	0	3789	785	1554	4746	0	985	6963	6125	4298	21387	9142	1516	24970	5164	7283	0	5479	4501	0	0	0	14429	3867	5087	0	11684	3892	0	5766	1595	Peptide	0.13333334	1.4	0.2
20	C13 H25 O5 N1	276.18054	276.18085	0.21268997	276.1806	3208	0	2983	0	2262	1431	5380	3728	2012	2386	1572	0	1967	38770	0	0	2260	4644	3269	0	0	0	0	0	0	0	10257	11289	6730	2849	2373	3655	3574	3259	0	4621	8937	0	1529	0	0	3178	4338	0	758	0	0	638	2865	0	1765	0	2015	5684	2437	0	1090	2759	0	0	5399	0	16563	0	18505	2696	0	0	0	0	0	2619	3027	4536	1683	3672	1189	0	0	28177	0	0	6800	0	0	0	0	1970	1603	0	9159	3158	0	2108	0	831	0	0	1569	0	1354	0	0	1473	1618	1736	0	847	0	4574	Lipid	0.3846154	1.9230769	0.07692308
16	C13 H25 O5 N1	276.18054	276.1809	0.15080236	276.1806	4018	0	3220	2838	2286	2802	67740	3376	0	0	4088	0	0	19866	1477	3229	4649	2417	0	0	0	0	1421	2194	1911	13392	35508	11942	0	3213	0	0	2583	3360	0	4852	1888	1703	5152	0	0	2988	3014	0	0	1742	0	0	2338	1839	2203	2732	0	1567	0	0	904	0	0	2495	0	0	4419	0	80968	2528	6637	2177	5486	0	0	1919	3132	4922	2824	2594	339	0	0	17451	0	0	78735	53346	2339	1150	0	2462	1356	0	3916	0	0	0	3867	958	3139	3740	0	0	2487	2954	2178	0	0	0	0	0	1715	2950	Lipid	0.3846154	1.9230769	0.07692308
12	C13 H25 O5 N1	276.18054	276.18094	0.14211927	276.1806	3822	2578	5091	6615	2437	4051	14427	6298	0	0	0	2339	3039	12105	5744	14640	4140	2833	4241	0	1490	0	4223	19976	9081	9607	3962	0	10808	2919	5016	10620	9296	7296	0	12022	5827	2074	5858	0	0	4287	1274	0	0	0	0	0	8603	3812	3266	3731	1717	356	2094	1947	2628	10053	0	0	0	0	0	0	33650	3488	6909	4373	0	0	0	4454	3353	4557	3061	2933	0	2737	4336	0	2990	9898	22038	24043	2822	105023	6235	3481	2311	5747	16703	5686	9476	0	0	0	4005	5425	0	1928	3559	8959	2505	0	0	8470	3909	0	7431	2405	Lipid	0.3846154	1.9230769	0.07692308
22	C13 H25 O5 N1	276.18054	276.1809	0.06567894	276.18057	0	0	0	0	0	0	1200	0	0	0	0	0	0	68223	0	0	0	0	0	0	0	0	0	0	0	0	2016	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	689	0	0	0	0	0	0	0	0	1242	0	0	0	0	0	0	0	0	0	0	35973	0	3501	0	0	0	0	0	0	0	0	0	681	0	0	2727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3846154	1.9230769	0.07692308
2	C13 H25 O5 N1	276.18054	276.18106	0.037331127	276.18057	13725	12326	12555	14213	11795	14480	7283	14633	6837	6596	3656	6254	13939	63906	11194	30322	8447	14491	11844	8261	7144	16478	10656	26458	9439	665	6833	11906	13444	9411	13374	15264	15927	10610	5727	11358	12565	7160	7438	4460	1434	13276	474	0	0	7919	2342	0	15424	7910	14073	10974	23894	0	10300	6099	5871	35468	1948	978	64665	1287	34269	6716	10335	26624	21045	9971	1629	5975	1862	10490	11662	11267	3881	10887	0	6203	8175	6115	6450	2190	1470	2603	5146	6727	14975	10184	10023	18530	22968	16936	36931	5384	5137	0	12322	12237	4853	5933	6814	10584	6797	12029	2383	21179	5387	0	6825	30058	Lipid	0.3846154	1.9230769	0.07692308
0	C12 H25 O4 N3	276.19177	276.19226	0.22989014	276.19183	0	0	0	0	1353	0	0	1816	526	0	0	0	1900	0	0	0	0	1311	1258	0	0	0	0	0	0	0	0	0	47675	0	2187	0	5238	1931	0	0	0	0	761	0	0	0	0	0	0	0	0	0	1275	0	0	0	1115	0	676	463	0	1957	0	0	0	0	0	0	0	1471	0	1355	0	0	0	0	2853	0	0	0	0	0	0	637	0	0	0	0	0	0	0	0	2151	2175	1127	1307	3005	0	0	0	0	0	392	373	0	0	0	0	0	2432	560	0	0	1822	Peptide	0.33333334	2.0833333	0.25
24	C17 H25 O2 N1	276.1958	276.19614	0.14327668	276.19583	7074	4552	3558	4988	6742	2855	3806	3701	1354	1420	3922	5068	3271	3554	4554	8765	8943	0	1683	3184	2614	3916	2022	5104	2875	11656	2429	6666	5559	7814	3803	4942	5214	6129	1999	9414	6978	3504	8820	3178	9485	2690	0	0	0	5655	10912	0	8350	9145	3550	3817	4740	0	1308	1409	2289	5754	973	3481	7289	1641	0	2810	0	3982	3379	9994	8554	4148	7518	4661	3769	5008	3484	5849	0	3389	3109	6703	2400	5557	2910	3554	1402	0	12870	4962	4027	34396	6414	5364	8028	3346	6477	1949	4191	6058	3945	2844	3586	6591	3029	3652	6815	6534	5055	0	9142	1639	Lipid	0.11764706	1.4705882	0.05882353
6	C17 H25 O2 N1	276.1958	276.19626	0.10655616	276.19583	59669	68420	61723	61903	4781	11676	79130	151422	2456	66086	30349	49034	1790	4112	45870	145982	109235	8583	16258	80663	78807	28017	35908	89521	70214	24689	94172	31850	92048	105623	121861	120149	133728	119291	75268	101389	123493	36680	110889	38276	6559	22982	0	0	0	29896	29811	0	155027	136532	69319	69382	11768	0	2337	0	9106	121974	0	0	131842	16703	1162	5136	9239	9587	29521	191162	17868	30834	38218	135215	99538	122070	137516	97073	0	51465	35801	33045	36854	1082	1412	33118	2571	6968	39398	30078	39294	269021	74335	3618	197397	34098	70619	0	66169	57775	1861	659	1058	127294	46819	43654	13758	201205	948	0	54112	1858	Lipid	0.11764706	1.4705882	0.05882353
10	C17 H25 O2 N1	276.1958	276.19623	0.12840934	276.19583	62860	55461	65823	56101	10901	22133	828064	128215	4354	60046	50280	183419	3234	66583	67749	139685	22372	10277	16322	68936	73142	15678	21778	36642	16828	35086	2303137	44007	40576	42399	34130	68622	58805	46663	68407	39136	58336	83287	23408	34709	2651	25221	0	0	0	15236	14280	0	57570	127442	63246	64254	23588	0	2901	2487	8438	103322	0	0	124736	6088	3687	4453	12232	8865	27746	55847	18346	38387	37525	66938	47741	32677	66877	51225	0	191245	13047	14525	20503	626	0	20467	3607	7161	20404	16267	24757	67171	44401	0	56368	24060	67535	0	62769	54431	4900	3091	2532	55157	190455	12341	0	31018	4191	0	21526	3643	Lipid	0.11764706	1.4705882	0.05882353
8	C17 H25 O2 N1	276.1958	276.19626	0.13123696	276.19583	66189	73321	56670	58315	13565	20969	212884	158622	8634	80409	46687	104343	3327	13080	87311	180975	76664	16047	31870	135007	113669	31199	68338	149178	105068	32808	340309	53584	124278	110403	109318	117510	109016	113772	90702	126280	113126	74695	72297	54572	5400	33792	0	0	0	42233	33334	0	149849	137592	68053	63944	26621	0	9012	1969	14367	135031	0	0	158159	16204	3777	10660	20203	10224	34756	125737	28042	49560	42878	135222	93498	108049	87238	107369	0	105821	58522	43666	47588	824	1286	55504	5093	11031	53533	34821	51715	186049	93972	0	224081	34754	84300	0	69979	72961	9310	1681	2301	91958	87192	38330	14027	119384	7647	0	63020	5978	Lipid	0.11764706	1.4705882	0.05882353
18	C17 H25 O2 N1	276.1958	276.1961	0.11539978	276.19583	27208	30586	27416	25581	2260	0	8546	23447	1637	2544	8114	10026	0	10066	10688	119424	16478	0	4782	3618	2512	58327	16560	87298	42011	11499	7273	4036	8394	9818	10176	8831	7035	7375	0	6393	8342	17037	17456	2989	7987	4911	0	0	0	10161	10213	0	15072	10576	33029	23342	3209	0	0	1252	3661	103966	0	6051	81044	1557	0	0	3381	0	3183	27313	8232	14159	10707	12653	5577	5821	12948	8398	0	8839	22561	15828	17229	2641	0	3962	0	2487	25239	7167	2639	862191	12689	0	928954	3431	5889	0	29967	26798	1321	0	0	6395	7017	0	4057	162489	0	0	51122	0	Lipid	0.11764706	1.4705882	0.05882353
14	C17 H25 O2 N1	276.1958	276.19617	0.14550297	276.19583	4758	5300	4790	3824	4691	2073	6271	5914	1889	11131	9665	3588	0	1322	4617	3461	3774	0	3695	16951	20241	0	1170	6332	2180	15460	7362	11936	4687	4351	3370	0	4857	3824	11817	6596	3111	1944	3724	7548	4222	2770	0	0	0	2899	5214	0	5631	4889	6138	5254	2611	0	0	0	0	4114	0	0	0	1240	0	0	1446	0	3152	5668	0	14748	25038	3454	4361	2621	4739	4678	0	3394	2308	0	3627	0	0	7927	0	0	4066	2495	1863	35482	8992	0	4577	3332	9550	0	4697	3262	995	0	0	6033	2888	2490	0	4886	937	0	2623	0	Lipid	0.11764706	1.4705882	0.05882353
12	C17 H25 O2 N1	276.1958	276.19623	0.1595384	276.19586	13220	14869	9684	13794	56297	18889	12894	13333	4525	22985	16034	6377	5215	191089	5178	17822	10468	13452	27655	28358	37649	0	5212	9507	4895	14655	29738	12307	9350	12503	12905	18648	22149	13115	30373	9994	18116	7185	6770	14853	0	27811	0	0	0	5636	7393	0	18140	11592	12281	13574	46142	0	2619	7503	8954	16627	0	0	0	3133	0	4028	7495	11060	28107	20512	0	19941	23511	13541	12024	9326	13169	11796	0	7955	3365	0	5251	0	0	14684	7013	4912	5383	9819	17273	25730	22930	0	16770	8216	15980	0	12900	13254	5744	1531	4353	18238	5685	5318	0	15964	18430	0	5413	2333	Lipid	0.11764706	1.4705882	0.05882353
20	C17 H25 O2 N1	276.1958	276.19617	0.21930698	276.19586	11312	9260	8711	8528	3311	2716	4581	5486	1809	8189	12205	7545	0	6751	3725	15573	21232	1627	2583	13854	20533	9306	2558	4724	6536	33811	6886	7016	4071	7139	4754	6778	5881	5925	9546	3073	5158	5651	19698	15699	28633	3003	0	0	0	10997	18705	0	5586	6461	10489	6665	3653	286	0	1689	2340	8545	3003	10020	9298	6014	0	0	1704	2031	3494	19773	28248	24272	40380	4743	6383	9381	11994	5614	0	5474	4856	13931	2639	9617	6734	11354	2169	1765	7745	7778	3108	60339	11552	8720	12279	11062	11801	0	9193	7790	2000	0	0	6854	6219	5281	10343	9494	3546	0	5527	0	Lipid	0.11764706	1.4705882	0.05882353
22	C17 H25 O2 N1	276.1958	276.19614	0.16800441	276.19586	12513	9994	11191	10664	3241	2715	6960	11156	1752	13074	19803	8039	0	0	8982	30092	20978	0	2198	14494	16033	14468	6990	15072	15933	45393	8612	16401	5807	12449	11780	5017	10050	6843	8491	9251	9336	9415	21668	15475	32554	3224	3115	0	0	14219	37001	0	8136	11447	14280	8797	1478	222	0	0	1723	15912	5711	14328	22979	9519	0	0	2646	3222	4866	33664	30987	31943	46487	7223	6397	9343	12947	11342	0	6886	5726	28953	13707	39084	8059	17455	2387	0	11407	5511	2969	39777	17277	12567	8204	11719	17479	0	13813	12531	2016	1320	0	12030	9737	8459	22336	18366	3532	0	34091	0	Lipid	0.11764706	1.4705882	0.05882353
4	C17 H25 O2 N1	276.1958	276.19632	0.06715717	276.19583	47569	53046	51149	46160	1414	6476	40667	119249	1076	40819	18086	51099	805	1816	42633	115045	76465	5948	9868	61926	52889	43013	34442	107733	42514	8873	52179	17489	86308	78578	89166	107384	90656	92280	42495	100662	93093	40517	81506	40257	11011	15331	0	0	0	23562	21586	0	124712	108184	49461	42489	7868	0	1036	559	5537	98395	0	0	102174	15094	438	1929	6243	5604	13417	99109	6288	12277	14652	97494	102756	119359	104521	84516	0	57496	39604	28001	44062	1161	3182	32595	708	4264	35029	18766	18226	128190	63809	5090	151618	27492	65012	0	45076	53983	1431	0	339	80641	44923	53235	8103	80825	645	0	43374	1163	Lipid	0.11764706	1.4705882	0.05882353
2	C17 H25 O2 N1	276.1958	276.19632	0.05459842	276.19583	19179	17890	18195	17588	822	0	19099	54367	476	17520	6225	17622	812	508	18983	61346	31905	2394	4514	26769	19159	11738	15948	54880	24302	3720	25209	5393	36091	34984	33398	41166	27258	33725	14408	43064	33391	15337	29370	18873	8583	6384	0	0	0	10225	9741	0	49709	44373	17961	18312	2577	0	2425	792	1986	38546	0	260	45171	8175	729	2321	3425	2309	5321	35604	3186	4077	4585	31773	34458	47997	42198	33603	0	19654	16185	11747	16852	1407	3209	13739	487	2606	13191	5524	6873	35995	29398	4678	64463	10751	36039	0	20010	19445	589	514	534	30483	14470	32683	3689	33093	410	0	17328	554	Lipid	0.11764706	1.4705882	0.05882353
8	C14 H29 O4 N1	276.21695	276.21735	0.25080034	276.217	0	1055	911	1241	961	1554	0	1133	888	0	0	0	1155	4305	0	2372	0	0	0	0	0	0	0	1705	0	0	0	0	0	0	0	1062	0	0	0	0	0	0	0	0	0	694	0	0	0	0	0	0	0	0	856	0	0	0	1604	835	0	1720	0	0	0	0	0	0	0	0	1175	0	0	0	0	0	1180	906	0	904	0	0	864	2745	0	0	0	2947	0	0	1622	0	1165	35091	0	0	2607	0	0	0	0	0	1516	0	0	0	0	0	0	1863	0	0	0	0	Lipid	0.2857143	2.0714285	0.071428575
2	C14 H29 O4 N1	276.21695	276.21747	0.12793162	276.21698	1190	737	0	620	495	0	0	0	0	4660	3818	0	0	0	0	687	380	0	0	0	0	0	299	0	0	0	0	9139	0	0	0	0	0	0	1002	0	0	0	459	0	0	8946	0	0	0	0	0	0	0	0	0	797	3506	0	0	0	3120	595	0	0	934	0	0	0	0	3385	14794	902	0	0	0	0	0	0	408	0	0	0	0	29221	0	0	0	489	0	0	431	0	549	0	7971	0	0	3178	3871	0	691	928	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2857143	2.0714285	0.071428575
4	C14 H29 O4 N1	276.21695	276.2173	0.009574342	276.21695	2090	2327	1811	1801	0	336	0	0	0	23820	20691	0	0	0	0	0	0	0	0	0	618	650	0	0	0	0	0	79327	0	0	409	0	0	0	15217	0	0	238	0	0	0	434	0	0	0	0	0	0	0	0	1811	1987	0	0	0	0	0	0	0	0	0	0	0	0	0	0	602	0	0	0	0	0	0	322	0	349	0	0	0	195816	0	0	0	544	0	0	390	0	0	0	32073	0	0	27611	24574	0	0	2541	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2857143	2.0714285	0.071428575
14	C14 H29 O4 N1	276.21695	276.2174	0.12618482	276.21698	0	0	0	0	0	0	0	0	0	0	3326	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29415	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48913	0	0	0	0	0	0	0	0	0	0	4715	0	0	5567	2662	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2857143	2.0714285	0.071428575
26	C18 H29 O1 N1	276.23218	276.23245	0.16075586	276.23224	2544	2466	2676	3680	3294	6601	0	0	0	11007	0	0	3896	3056	0	0	0	0	0	0	0	0	0	0	0	6739	0	0	0	0	0	0	7437	0	1955	7109	2072	0	0	2510	0	6130	0	0	0	9975	0	0	11058	12114	0	0	0	0	0	0	0	0	0	5681	0	0	10457	0	0	13524	0	0	0	0	0	0	0	0	0	13191	0	0	0	0	0	2635	0	0	0	0	0	5608	0	7060	2090	0	8822	0	10593	0	1830	0	0	0	0	0	0	0	0	0	0	0	0	26907	Lipid	0.055555556	1.6111112	0.055555556
10	C18 H29 O1 N1	276.23218	276.2326	0.13009648	276.23224	1142	0	1240	1358	0	0	13608	3944	0	1403	0	2093	0	0	2009	7578	0	0	0	1403	1496	0	0	2040	2754	2132	33261	0	1251	0	2165	0	0	1981	1357	1136	0	2347	0	0	0	915	0	0	0	0	0	0	2479	5870	1424	0	0	0	0	0	0	3336	0	0	0	0	0	0	0	0	0	1446	0	0	1478	4892	2129	1963	1333	1766	0	2863	1026	0	1299	0	0	0	0	0	1319	855	0	12589	4969	0	4955	0	1469	0	2168	0	0	0	0	0	2088	0	0	2458	0	0	1096	0	Lipid	0.055555556	1.6111112	0.055555556
24	C18 H29 O1 N1	276.23218	276.2325	0.18710501	276.23224	7572	4888	4655	5052	6906	21881	0	3457	2187	37657	0	1457	11104	5333	0	18309	13154	5757	6852	6520	3804	0	0	5113	0	0	0	1070	3033	14244	3433	8300	19717	3135	4543	14417	4410	0	7657	7365	13237	20802	12404	6833	0	18094	19506	0	38480	63392	6739	6014	2023	10168	0	0	2739	3860	0	98705	8328	0	21192	1566	1734	28443	2188	27099	1574	0	1743	5734	0	2827	5097	36711	0	1010	0	4118	1149	3048	0	0	0	0	1065	26530	1887	26965	13335	0	27717	0	52415	0	6829	7194	2838	0	0	1613	1475	1471	1548	0	0	0	0	65215	Lipid	0.055555556	1.6111112	0.055555556
8	C18 H29 O1 N1	276.23218	276.2326	0.10659185	276.2322	1767	2072	3017	2676	0	903	11568	9847	0	2480	1514	5347	0	0	8652	12580	1972	0	0	2715	2485	0	9652	9265	5031	1634	20503	0	4017	4728	6530	5612	3582	3215	1485	3790	3563	9785	1161	1129	0	4298	0	0	0	0	0	0	9723	6746	3109	930	0	0	0	0	1499	7613	0	0	10790	0	0	0	0	0	2979	7036	0	0	0	5435	4305	3627	5185	2922	0	6013	5197	0	7441	0	0	1019	0	0	3946	1421	1939	8671	0	0	5781	0	4211	0	3212	2624	0	0	0	3471	5419	0	0	5938	0	0	1932	0	Lipid	0.055555556	1.6111112	0.055555556
20	C13 H8 O7	277.03427	277.0346	0.2515276	277.03436	5965	5536	5193	6284	26781	12555	5504	2894	24813	0	0	5346	25687	19009	7520	5468	2636	37236	29721	0	0	3884	8244	3754	3126	0	4184	0	2466	3649	3835	2594	8387	1793	3177	2478	6231	6702	2842	0	0	8646	2156	929	1842	1952	0	2780	5185	2547	4809	6089	17070	766	16292	12569	11672	8282	0	885	4221	0	33641	18028	8907	32801	12410	4100	0	0	0	2002	0	0	2680	2292	1297	4880	19618	2039	16819	1804	0	0	26676	15356	13502	14818	14560	7247	0	1789	2150	0	0	1053	8746	9922	13267	15930	21189	7915	5845	1513	0	4311	15568	1476	6211	31758	Phytochemical	0.53846157	0.61538464	0.0
16	C13 H8 O7	277.03427	277.03467	0.20374869	277.03433	15124	14344	17825	13313	37149	30342	7224	8767	40064	1637	3765	15471	45943	31634	14550	12103	14105	63648	58465	0	3311	11032	17462	10666	6951	0	8562	3503	7999	7467	7950	7381	18807	10775	4632	7313	20311	14892	14572	1454	2483	19209	1717	1235	1020	4725	1740	2054	9586	5689	11976	14389	37659	996	26828	22904	22299	16805	2141	0	12558	0	62605	42438	19078	58283	28259	12985	0	0	0	6099	8956	6002	16103	8155	947	14335	26929	5145	14911	4236	1527	0	42662	25086	25994	32110	29964	0	4455	4022	0	5594	5985	1428	14377	11449	20235	39613	39431	21892	15615	1775	0	13712	22204	1229	6577	62657	Phytochemical	0.53846157	0.61538464	0.0
22	C13 H8 O7	277.03427	277.0346	0.15925176	277.03433	3308	4794	3050	6204	13172	8693	4911	2294	10392	0	0	3193	15179	13382	4716	1937	2228	22280	17150	0	0	3086	7465	2361	4045	0	4259	0	1318	1522	1971	0	5973	1518	2071	0	3318	3319	3209	0	0	4264	0	0	1748	0	0	0	1953	0	5041	5976	10527	817	9590	7616	4841	2906	0	1512	1721	0	23975	14631	6156	18080	4372	2451	0	0	0	0	0	0	0	1303	1371	2168	22424	2765	14731	1315	0	0	21078	11993	10375	11345	9135	4899	3017	0	4304	2303	1933	0	6662	3380	10871	11643	12357	2390	2931	0	2191	4313	7871	0	4341	21151	Phytochemical	0.53846157	0.61538464	0.0
14	C13 H8 O7	277.03427	277.03467	0.24059513	277.03433	15751	13490	21538	20367	51080	28736	8755	5352	48797	5865	7240	12202	57982	38911	21529	11864	13688	66702	70872	2247	5928	8904	24560	7626	5585	0	9967	0	6888	6874	5975	6580	14551	6057	5948	4822	19508	13945	12290	3573	0	28073	0	788	1213	3283	0	1687	10645	2583	17190	15754	31712	585	39613	29504	26535	12887	0	0	0	0	79978	51902	24164	65483	33005	12661	0	0	0	6770	5024	4994	12276	4224	716	11799	25310	0	22082	2962	1136	0	55769	29383	31258	34768	37349	14751	3177	3677	14068	5165	6801	954	19135	16547	29175	53030	43032	16433	14343	2791	0	10682	23085	549	9308	70925	Phytochemical	0.53846157	0.61538464	0.0
10	C13 H8 O7	277.03427	277.0347	0.23209186	277.03433	6245	8710	5719	7571	20727	9487	2316	0	26170	2180	1512	2248	35657	11658	2922	2094	3122	26024	25587	1312	1526	4530	6682	1355	0	0	2126	0	0	0	1548	1530	4336	1212	2837	952	2002	4202	1721	0	1337	8113	651	0	608	0	1589	1092	1156	0	6463	5518	15646	0	20862	20876	9159	4138	0	0	0	0	43405	25217	8748	34839	7979	3311	0	0	0	0	0	0	2280	1529	0	1944	7902	0	3732	924	0	0	27535	7628	7448	10984	15058	4180	0	0	0	5048	1083	0	6874	6858	16600	32238	26167	4053	4692	0	0	1753	16869	0	1518	42739	Phytochemical	0.53846157	0.61538464	0.0
18	C13 H8 O7	277.03427	277.03467	0.15391788	277.03433	11529	8401	7366	8601	26364	19237	5563	1981	22244	0	2434	4847	39872	23493	8807	8202	5040	36963	35520	0	3231	5157	14364	4460	5823	0	6889	0	4630	2898	4764	2274	10987	0	0	2029	11284	7452	4855	0	0	10578	1863	1329	1466	2988	1306	2013	4212	1907	8519	8493	22689	827	27975	14425	13521	7276	0	1434	8278	0	43888	24303	14936	37279	17034	6541	1727	0	0	2238	2629	2764	3843	0	965	4693	19816	3107	16382	3337	0	0	34288	24500	14882	22151	22842	7415	0	0	7718	3907	0	1558	9954	7463	19695	28282	24392	11219	3860	0	2019	6167	15248	1146	7077	35227	Phytochemical	0.53846157	0.61538464	0.0
26	C13 H8 O7	277.03427	277.03458	0.09935301	277.0343	8068	6921	6700	4327	8710	8487	5834	0	7479	5224	0	11244	10792	6809	10894	26222	18922	18736	14002	0	0	5933	11142	12071	6560	0	8252	0	5529	6474	7833	5492	6637	7620	2030	5762	8097	10890	19355	0	0	7298	0	0	0	0	0	0	8620	7640	7975	4129	7141	0	8423	0	7601	11722	0	0	21135	0	15286	7693	4555	10148	8084	19899	0	0	0	6354	5258	0	32567	7455	0	6857	15260	0	13940	0	0	0	7940	6402	10361	10392	8234	8084	2013	2500	6387	2110	0	0	7787	9686	4426	6600	6145	9242	8997	0	0	9735	0	0	12361	15267	Phytochemical	0.53846157	0.61538464	0.0
12	C13 H8 O7	277.03427	277.0347	0.21187398	277.03433	17380	15479	12466	14842	41739	25323	5192	2811	38338	2778	4449	9411	46714	21530	13079	11771	13576	57461	65120	3145	2650	9579	20286	7998	3931	0	8761	0	6358	4774	5148	6567	14158	6787	6542	3049	15111	12099	10389	1436	0	22090	732	498	724	2577	0	877	5883	4585	14111	13192	31269	406	40880	25404	21087	10620	0	0	0	0	68474	36387	16772	58026	23982	11826	0	0	0	4454	5190	2512	9791	5066	496	10569	16924	0	14819	2078	0	0	38669	23003	18849	28445	30962	11993	0	4244	5259	6551	2787	583	14071	16656	31910	37274	45195	17827	9299	0	0	9775	25818	685	6721	67330	Phytochemical	0.53846157	0.61538464	0.0
8	C13 H8 O7	277.03427	277.03476	0.21394913	277.03433	1135	4153	2315	2381	9917	4047	0	0	11352	0	941	1148	19842	4164	818	1096	0	9815	12610	909	1548	964	2286	0	0	0	839	0	1020	0	0	0	1468	0	1607	0	1232	677	0	0	0	3561	0	0	322	0	0	390	0	0	3041	1544	6971	346	8817	9760	4324	0	0	0	0	0	23051	11644	2068	13139	2642	1206	0	0	0	0	0	0	0	0	278	0	1567	0	2149	1012	0	0	10529	0	1536	4869	5561	0	0	0	1404	0	0	460	1642	2038	10050	18437	15669	1353	1073	0	0	998	8381	0	0	20768	Phytochemical	0.53846157	0.61538464	0.0
16	C12 H8 O6 N2	277.0455	277.0459	0.23108563	277.04556	3868	4458	5299	6779	4828	4888	1966	5398	5706	0	1724	15085	3505	1507	5536	5398	15680	8102	9819	0	0	4989	12413	5937	0	0	2510	0	3320	2787	4271	4877	9846	3850	0	2560	8662	7753	10301	0	1967	8271	0	0	0	0	0	0	2964	5416	5581	5275	7008	0	3480	2401	5169	4693	0	0	0	0	7331	6814	3959	9187	8165	15551	0	0	0	6622	4081	1830	4762	4008	0	6560	3079	0	3492	0	0	0	2411	3244	3652	17891	10108	24833	0	0	0	0	0	0	4632	2186	3218	2689	4165	11059	13578	0	0	11342	3500	0	1922	9143	Unclassified	0.5	0.6666667	0.16666667
10	C16 H8 O3 N2	277.06076	277.06122	-0.89146364	277.06052	0	1365	0	0	0	0	0	0	0	1886	6287	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2678	0	0	0	0	0	0	6632	0	0	0	0	0	0	0	0	0	0	0	12737	0	0	8234	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2141	0	0	0	0	0	0	0	0	0	0	375668	0	0	0	0	0	Phytochemical	0.1875	0.5	0.125
22	C14 H12 O6	277.07068	277.071	0.15980954	277.0707	27259	31535	17301	26629	49613	29163	14298	11115	48261	21208	13588	14795	57532	40037	20496	11058	13696	61768	45079	15308	17805	26830	23322	20224	18804	11301	11030	9579	14366	10137	13451	11357	18767	13484	26994	9766	22367	13778	9793	16857	16341	19299	5900	6140	10163	17444	18947	9611	16630	9956	24053	22040	37275	7349	42380	43373	27136	16240	9381	8270	18389	11205	72630	48021	17010	62838	23477	15895	10480	13822	20353	8895	8062	9565	8440	13243	7518	10205	36885	17511	36625	15412	10283	9537	58851	32215	31550	25784	24418	19480	19028	14396	14076	17408	20872	10044	22619	22000	35490	59002	49569	16729	18044	13283	18923	15111	34240	7111	19105	83502	Phytochemical	0.42857143	0.85714287	0.0
6	C17 H12 N2 S1	277.0794	277.08026	0.9445199	277.07965	0	0	0	0	819	0	0	0	0	0	0	614	0	0	0	0	0	0	0	0	0	0	0	0	0	0	527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	674	0	0	0	0	0	0	0	0	0	695	0	0	0	0	0	0	0	20116	0	0	0	591	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	0.7058824	0.11764706
18	C13 H12 O5 N2	277.0819	277.08228	0.21927051	277.08197	9763	8600	7688	7495	14072	7653	6785	5146	7548	9169	5909	6918	9817	9580	7218	9956	15144	12922	14294	3204	2598	13425	10106	8737	6445	0	10065	5626	4411	3253	5351	4541	14958	0	7271	6855	14739	6823	11410	5385	12614	9347	808	387	1019	3303	4137	744	11432	4507	10050	10337	11579	881	6624	6427	6719	11287	2009	11389	6771	5800	9308	10602	4964	9873	5536	18686	3112	3014	5714	5029	4192	1381	6533	6194	628	4630	17042	15168	13920	5299	4575	2476	7563	6352	19777	15976	9854	31719	10254	11147	30238	11858	10077	606	12158	7526	4875	9988	7261	3958	7267	3721	2437	12438	5386	567	10726	17059	Peptide	0.3846154	0.9230769	0.15384616
0	C10 H16 O7 N2	277.10303	277.10355	0.005276191	277.10303	6523	9249	8094	8196	10234	33718	0	14907	2768	2377	0	2847	13794	11496	0	0	3178	13487	10259	0	2647	8049	4038	11659	3475	0	0	1813	30662	4881	23837	11910	32354	16462	3114	10382	16570	0	2819	0	0	13836	0	0	0	3040	0	0	15985	5037	8705	7155	11522	449	3433	1248	0	27437	0	0	3275	0	22335	4582	0	11609	22120	2273	0	1585	0	16057	14242	7929	0	10538	0	2851	1289	1677	1308	0	0	0	840	0	1643	7048	14690	2068	168637	31206	9336	0	0	0	8519	8502	816	0	0	6471	3984	0	0	15669	1078	0	1480	27056	Peptide	0.7	1.6	0.2
8	C10 H16 O7 N2	277.10303	277.10355	0.39621776	277.10315	0	896	2277	2043	704	1094	0	2021	908	1705	20220	1203	1209	1384	939	1677	2781	816	1539	0	0	940	824	1392	862	0	0	76972	1101	1494	1618	1797	0	885	0	2648	1794	1336	1831	0	0	1291	0	0	0	0	0	0	1068	1054	1576	1264	1005	0	826	0	794	1038	0	0	0	0	959	825	0	1330	1149	3177	0	0	0	1421	0	1507	1539	2071	0	932	0	3047	0	0	0	0	0	0	0	1166	1986	1392	0	9414	1340	2020	0	0	1063	0	0	732	0	1790	0	0	0	2753	0	0	0	1139	Peptide	0.7	1.6	0.2
2	C10 H16 O7 N2	277.10303	277.10358	0.26192543	277.1031	17548	16029	12808	12236	7813	1707096	1385	8409	3176	1229	1922	3444	9763	5653	2282	387	1878	9202	8154	671	1193	5690	2867	6894	1598	0	0	2446	9608	3891	10140	9295	11162	11542	3520	8096	9471	1088	1764	548	0	87601	447	0	0	1675	0	0	10855	3553	17660	12523	6892	0	2734	1421	1463	12445	505	484	1892	0	12876	3610	0	12282	10617	3063	0	0	0	12674	9192	5158	0	5670	0	3149	1513	2524	1885	0	0	0	2046	1197	2424	10072	10362	3594	66302	25501	7038	1297	0	0	17152	13353	1387	1133	2072	6765	2847	0	0	9084	1375	0	1401	13453	Peptide	0.7	1.6	0.2
10	C10 H16 O7 N2	277.10303	277.10376	0.41572505	277.10315	0	0	0	0	0	1633	0	0	0	1578	9447	1076	0	0	0	0	0	0	0	0	0	0	1094	0	0	0	0	54411	1023	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1035	1314	855	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6875	0	0	0	1217	0	0	0	0	0	0	1138	0	0	0	0	0	0	0	0	Peptide	0.7	1.6	0.2
8	C6 H17 O3 N6 S1 Na1	277.10532	277.10562	-0.38398024	277.10522	3605	3157	2690	3330	2998	2473	2887	1396	858	0	0	924	1096	0	661	4136	1818	1164	1380	0	2528	2975	1314	1123	1422	1661	3689	0	2295	790	2529	2753	2428	3094	2062	1408	1433	1930	1709	2668	3333	1220	807	0	0	0	2111	0	3325	0	2478	2693	3618	0	2476	2709	1678	0	4354	2715	0	3796	2011	2102	0	3004	3549	3172	0	1774	0	1810	1399	1425	98693	1356	0	1401	1885	0	1505	1907	2699	1981	2367	0	1924	3191	2048	1600	0	0	0	0	0	0	2518	2504	2034	2990	0	1397	1493	2955	0	2051	5098	0	1783	2860	Organosulfur	0.5	2.8333333	1.0
10	C6 H17 O3 N6 S1 Na1	277.10532	277.10565	-0.43891332	277.1052	2973	3107	3871	2988	4761	4445	3885	2296	2171	3753	0	3645	2278	3957	1798	3413	2274	2194	3352	2211	0	0	1177	0	1880	2146	5072	0	1946	2241	2585	4566	3571	3746	2211	4454	3662	2601	4142	0	2346	2634	1380	506	0	0	0	0	4911	2358	3616	0	5157	0	1825	1348	2879	3966	4105	4988	0	5566	2653	2409	1976	4534	7755	5561	0	0	0	2759	3671	2165	75577	1949	0	2280	2946	0	1461	1822	9964	6940	2883	2096	2288	4295	3421	0	0	3307	3582	2715	0	0	4109	0	0	4089	2104	4141	2888	0	0	0	10770	0	2730	4691	Organosulfur	0.5	2.8333333	1.0
14	C6 H17 O3 N6 S1 Na1	277.10532	277.10535	-0.26941982	277.10526	2972	0	0	0	0	3454	3150	0	0	0	2685	2003	1379	3506	0	0	0	1605	0	0	0	6302	1167	0	0	0	5475	0	1843	2930	1370	0	16035	3609	0	0	3310	2322	6939	0	0	0	0	756	514	0	0	769	0	0	2934	0	0	624	2114	0	965	0	0	0	0	2336	1504	0	2577	0	2518	3764	0	0	0	2172	0	1706	35267	2793	437	1719	0	0	0	2103	2267	882	1727	0	2914	0	0	0	3158	0	0	0	0	1138	0	0	3139	1338	0	0	1476	0	0	0	3064	734	1482	0	Organosulfur	0.5	2.8333333	1.0
20	C15 H16 O5	277.10706	277.1074	0.13346288	277.1071	420067	417546	400747	343693	561032	466974	250911	339688	534785	444528	264815	241688	854274	439013	343030	369035	265677	741529	773248	475462	440226	416573	381714	393744	330696	280220	233389	267634	362684	299490	285564	322077	497858	320278	507344	305081	546327	280306	274528	389772	301215	394459	55992	43388	51314	293909	249028	52437	351007	259230	401002	401007	459151	41567	631961	486896	342582	443273	295988	211188	384089	241681	664647	551123	246464	676926	416323	315551	236741	345001	306484	297879	292290	286001	249425	329756	45906	260453	403528	279472	347046	212745	249786	240254	525530	349721	443880	379819	418822	373708	424545	409586	489851	261586	302332	55650	398375	420633	439492	591612	650253	448287	264353	378214	203911	352416	372944	45568	302734	817237	Phytochemical	0.33333334	1.0666667	0.0
22	C15 H16 O5	277.10706	277.1074	0.14482908	277.1071	167917	178431	133547	155516	217476	178231	100815	157280	198897	153897	99923	108632	226432	161028	149319	151802	126782	265944	196794	174256	169221	167220	162774	170530	142259	111944	98902	102336	156128	132008	137622	155144	184199	146383	196157	148779	194262	122237	125851	138677	116362	125877	40140	39048	49126	139579	114643	45236	152381	117014	150934	148980	159823	34878	213525	187168	137782	188710	115711	82014	157238	95230	235738	190233	109561	243108	149955	133920	108375	155017	144299	136984	119479	108744	84991	150225	39755	116849	169826	101850	160580	101565	98517	94482	213983	137717	176557	143454	152555	142604	170768	160186	177297	107339	131197	53140	149500	154291	152814	249967	235118	179458	125130	127816	98765	139535	146296	38722	129169	279840	Phytochemical	0.33333334	1.0666667	0.0
14	C12 H20 O5 S1	277.1104	277.11075	0.054142263	277.11044	5382	5664	4790	4962	2439	7310	4733	0	7076	0	0	2170	5355	10159	11824	7993	0	11943	14956	0	0	0	4165	0	23061	0	5059	0	5394	4269	3406	8654	7861	2801	0	4237	7510	6315	3539	0	0	4018	0	0	0	1615	0	0	6201	0	5249	3652	5897	0	5798	1512	3407	15480	0	0	0	0	3537	0	6345	9386	14355	2901	0	0	0	1915	2684	6349	3077	4889	0	3633	2240	0	1624	0	1223	0	3270	8206	9395	2647	9397	5226	6112	5213	6131	0	1935	0	5555	3405	5174	2444	2264	5014	3375	0	0	9618	3629	0	8258	5158	Organosulfur	0.41666666	1.6666666	0.0
8	C12 H17 O4 N2 Na1	277.11588	277.1164	0.64860827	277.11606	0	0	0	0	0	792	0	0	0	1170	0	0	0	0	695	0	0	0	0	0	0	1405	0	0	0	0	859	0	885	0	0	1200	0	1377	0	0	1056	1256	0	0	0	0	0	0	0	0	0	0	0	0	959	1325	0	0	0	0	0	0	1315	0	0	2730	0	0	0	1200	0	1311	0	0	0	0	0	0	27002	0	0	1015	0	0	0	0	1460	0	0	0	0	1050	0	1840	0	0	1272	0	0	0	0	0	1569	0	0	1520	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.4166666	0.16666667
16	C14 H16 O4 N2	277.1183	277.11865	0.11344797	277.11832	58554	63211	67076	64186	52541	43391	70262	64711	29672	55787	39840	46958	34341	28421	48686	88619	117019	50343	51837	43757	51785	86670	55121	91680	51359	37168	63335	53887	63634	49944	59612	63188	99771	72204	47699	52384	100728	43535	134603	57600	88170	43758	2455	2201	2604	39423	48440	2769	80799	55672	64309	63997	51683	2297	28180	19585	31449	91290	29647	63448	79171	40890	32437	27357	26784	50236	47113	120029	29262	47809	55495	59765	54612	32611	63469	58652	1371	38010	75707	67769	51455	44228	43691	43790	26477	34418	83156	72004	56473	166408	76706	75696	143764	55673	74500	2331	55766	55418	26333	23057	22097	93738	41349	43878	26274	99162	28261	2699	75675	47513	Peptide	0.2857143	1.1428572	0.14285715
8	C14 H16 O4 N2	277.1183	277.1187	0.07153522	277.11832	372064	438632	324529	392001	226897	190242	304876	400849	193026	368720	232621	277005	190816	105551	276028	524053	525288	259386	371706	428490	460634	460202	311540	538440	268183	243040	325490	246411	351606	330518	350447	414517	481530	383357	464423	342108	515230	278432	664411	436232	539976	256197	4269	1703	1250	340908	361179	1531	468501	358233	370059	378549	251172	2024	237589	114322	155348	414990	175653	278215	442827	264069	184490	198704	131811	245564	240241	616814	256820	367088	479422	356746	337834	252189	342275	376066	1272	257971	414959	256287	325988	223262	221059	267090	154574	156218	383003	316505	302248	773673	691599	602042	745441	295973	385997	2900	377922	365000	145869	166710	159188	467415	260026	350622	146569	457525	163026	1693	335641	254404	Peptide	0.2857143	1.1428572	0.14285715
6	C14 H16 O4 N2	277.1183	277.11874	0.10365968	277.11832	398190	428908	384134	400733	222808	190846	312924	406072	190483	393231	318961	255566	197143	123326	310477	465084	481521	300429	410656	402938	465668	455036	311554	533822	277146	207731	297329	327581	387082	330074	382813	404908	561693	400941	464186	341664	520508	298210	634635	288077	452691	259951	3829	1648	1558	312899	349651	1234	489170	323893	413285	420261	258968	2128	224327	120011	159222	495137	138629	274338	457632	229040	207966	151349	128822	234737	290155	665194	234102	348763	443678	329015	306980	261173	267314	311237	1079	239049	332413	422591	292045	203543	191514	214242	153174	184650	421256	346175	330342	762203	1929264	880600	671035	403606	388079	2457	396542	368914	115223	130438	154206	527937	254230	316165	163495	481493	146783	1443	309934	262498	Peptide	0.2857143	1.1428572	0.14285715
20	C14 H16 O4 N2	277.1183	277.11865	0.16537645	277.11832	10130	9799	7910	6920	10890	8114	7903	8431	4622	4815	2966	9029	2906	8309	8670	13970	12686	7748	8826	4140	3584	9577	9394	16550	10123	2783	7454	10850	11391	10507	8470	10106	15121	16167	4035	6476	17878	7451	14098	7024	6952	9713	1927	2008	2017	7425	4388	2583	8052	9717	9450	11495	9735	2331	1927	1478	4082	16270	3460	8051	15469	4055	3681	5252	4701	6291	7853	14568	2399	2249	4656	9955	9309	9712	6795	10033	2203	8362	7371	10451	7475	3715	5715	0	2314	3363	13014	14457	11492	21559	21698	12421	19215	5781	6060	2505	11343	9251	4689	3697	4147	12320	8712	8717	3204	12848	5403	2299	6914	5082	Peptide	0.2857143	1.1428572	0.14285715
14	C14 H16 O4 N2	277.1183	277.11868	0.09099091	277.11832	152182	150981	153902	151800	87493	76763	138521	142359	57985	120765	96914	114735	58082	52481	111230	180290	222464	105850	114904	138598	132598	219892	115330	193324	113651	107138	135460	119702	114294	124461	124571	145071	188237	135061	142294	119112	194615	109009	230478	175552	235381	95763	2929	2381	2327	118892	131131	2472	175061	133578	132166	134804	100105	2897	65103	39587	69586	210725	98071	149328	182776	91603	67744	67174	59195	97410	88338	249518	84933	126269	193558	135733	117069	94388	136221	121255	1118	103010	158132	158347	137865	91401	117347	114566	55680	55018	179437	144175	115255	420532	247426	183053	325567	129555	168715	2925	147798	129910	52923	50325	48708	175249	104651	151203	46167	203827	68421	2209	153400	81559	Peptide	0.2857143	1.1428572	0.14285715
0	C14 H16 O4 N2	277.1183	277.11884	-0.001329381	277.1183	12047	15513	12986	9768	11720	12421	12729	18069	13854	12521	8094	10571	15258	6667	9857	5111	33838	19160	21150	12109	22890	18887	12076	12724	7499	8452	8213	7864	19417	10627	21237	13642	24926	16300	21469	12490	23599	8981	33353	10131	10806	17029	0	1685	1708	8427	7628	1210	18852	9303	13003	13096	13447	1452	16565	10095	8705	18048	6833	8022	8530	5882	16370	15196	10177	14327	17618	33234	7677	10947	10271	13035	13143	10617	7396	16712	1243	9332	11161	8170	9052	5352	6997	4957	10998	11399	8755	18626	23040	14139	10498	9534	26150	8891	7025	2037	12759	13183	8023	10640	10139	16852	7519	10801	5356	21536	11398	1616	7684	21419	Peptide	0.2857143	1.1428572	0.14285715
18	C14 H16 O4 N2	277.1183	277.11865	0.13813676	277.11832	41446	39466	39095	33046	20567	27313	40520	63104	15706	17309	18684	45365	14090	27441	38755	65449	97703	28420	24242	16467	14106	35962	49582	67616	44824	9675	38602	25907	76830	60915	79377	66906	79408	74177	14354	74298	78255	35135	89156	28082	38353	38660	2510	2204	2232	18944	20702	1927	80094	51425	34762	36415	30413	2660	14704	7871	19579	75247	13359	24405	65322	14362	13174	12335	20317	24010	30765	98145	14421	16963	13409	66624	58547	51074	62746	66547	1702	33448	44381	27237	41033	12683	21262	13200	10397	18419	58156	53188	42881	74377	39878	29491	63050	17376	28088	2589	37074	38476	11583	12193	9201	78532	39988	28759	7313	60245	12393	2329	53252	19329	Peptide	0.2857143	1.1428572	0.14285715
2	C14 H16 O4 N2	277.1183	277.1188	0.14214832	277.11832	170553	157573	133946	152395	127552	127433	118055	212117	107332	154742	127652	162905	124694	66681	144104	127981	234299	179257	189396	156375	220467	228627	167443	168214	91066	69980	68211	93261	218871	137532	198804	180595	329732	174922	213505	175430	239921	122281	257324	134337	173753	159141	1882	1418	1573	100896	114949	1688	190776	126458	145994	157959	166368	1922	129693	55934	82607	188998	54971	115818	119806	76986	122766	133735	72403	159109	172894	281621	100939	134671	167448	163736	169196	128780	133508	170428	1256	153630	144326	81071	125395	58283	64586	63193	78976	88776	135313	217500	191682	275607	92693	100400	346165	96815	91066	3220	164220	168493	77437	72564	76288	214740	157978	130442	67012	244675	74217	1573	113956	161092	Peptide	0.2857143	1.1428572	0.14285715
4	C11 H20 O4 N2 S1	277.12164	277.12213	-0.02124344	277.12164	1682	951	1620	1044	0	1664	0	0	0	0	0	0	523	0	0	580	0	943	0	0	0	0	491	1078	0	196	0	0	0	0	0	0	0	0	0	0	0	337	0	0	0	0	0	0	0	0	0	0	0	0	1299	0	0	0	294	294	0	342	0	0	0	0	0	0	0	0	0	0	0	0	0	550	757	0	0	0	0	254	0	0	0	0	289	0	591	329	0	530	0	0	141375	61746	0	0	0	0	1536	1809	0	385	372	0	0	0	0	830	468	0	439	665	Peptide	0.36363637	1.8181819	0.18181819
0	C11 H20 O4 N2 S1	277.12164	277.12216	-0.056847762	277.12164	4044	5698	7280	5362	0	14155	0	3678	2087	2526	0	0	0	0	0	0	1633	3292	5466	0	913	0	3072	4098	16424	0	0	39420	6997	0	5614	3682	9395	0	2556	0	2780	0	1747	0	0	4742	0	0	0	0	0	0	0	3528	3446	3498	1117	0	0	890	0	5428	0	1176	0	0	0	0	1188	0	8360	1223	958	0	0	0	0	0	0	0	0	0	0	61082	0	0	0	0	2174	0	2985	1736	5848	2824	655431	280632	7116	10426	0	0	4462	5736	0	2237	1850	0	0	0	0	7527	1918	0	0	0	Peptide	0.36363637	1.8181819	0.18181819
2	C11 H20 O4 N2 S1	277.12164	277.12222	0.040481288	277.12167	1217	1289	1409	1157	974	0	548	623	0	304	0	0	1095	0	776	328	478	1495	610	0	0	1274	540	1285	764	0	0	0	480	0	605	0	0	833	477	627	1083	0	1210	383	0	0	0	0	0	487	292	0	685	0	0	1137	714	0	378	0	293	997	0	0	0	0	670	0	0	0	752	1190	0	0	0	831	670	468	0	0	0	397	881	0	820	0	0	0	608	0	827	547	827	2049	112335	111578	1963	481	0	0	892	1394	0	448	0	837	376	580	0	738	415	0	0	929	Peptide	0.36363637	1.8181819	0.18181819
14	C12 H20 O7	277.12817	277.12854	0.1634089	277.12823	3397	7514	5834	4651	4743	0	2719	0	7286	0	5215	3687	1813	6166	2714	0	7266	3205	2383	0	0	0	2422	0	2711	2588	4520	414466	0	1587	3154	0	2007	2544	2229	1979	2268	8049	7081	2648	4404	4863	10763	12251	7124	0	0	12663	0	0	3133	2958	6871	7046	2114	3758	6003	2764	5041	0	0	4892	3712	4836	11597	2050	4911	4528	0	4282	4667	3753	4114	3507	4482	3744	4607	5143	6313	0	5862	8795	3511	2629	6830	8265	15312	5042	2639	6651	0	0	3218	7029	2028	11465	3191	3288	4183	8603	7435	2747	4179	0	0	0	5820	12578	3438	3721	Lipid	0.5833333	1.6666666	0.0
18	C12 H20 O7	277.12817	277.12845	0.31631073	277.12827	0	0	0	0	1597	0	2199	0	0	0	0	2952	2714	2065	0	0	0	11497	0	0	0	0	1575	1130	0	0	2041	14593	0	0	1793	0	2896	0	11337	0	0	0	2282	0	0	1448	4212	3991	3105	0	0	5023	0	0	0	2728	3580	3997	0	0	992	1235	0	1330	0	0	3108	1205	1946	2783	2051	0	0	0	0	0	43482	53094	0	0	3084	1324	0	0	0	0	0	0	0	1255	3426	1410	0	0	0	2184	0	1800	0	3976	0	0	1261	0	0	1878	1512	0	0	0	0	4543	0	2495	Lipid	0.5833333	1.6666666	0.0
16	C12 H20 O7	277.12817	277.1285	0.20335214	277.12823	0	3017	4181	1808	3624	2929	1861	0	1526	0	1331	3307	0	1556	1673	0	31993	2249	0	0	0	0	0	0	1335	1372	3197	24501	0	0	1411	0	0	2019	0	0	1804	4125	29142	0	64881	0	6458	6094	4355	0	22839	6680	0	1664	3343	2840	2090	3827	3372	0	7032	0	0	39330	0	1875	0	2201	6145	3498	1739	60321	0	0	19606	1255	2353	1412	2653	0	4495	1605	1893	0	0	5890	0	1442	2814	4597	2772	2904	2409	0	0	2527	0	2968	0	5999	2896	4902	3708	1852	4005	0	2167	0	0	0	3601	6798	2255	0	Lipid	0.5833333	1.6666666	0.0
2	C11 H20 O6 N2	277.1394	277.13995	0.18297884	277.13947	12652	9840	11097	13383	16336	49730	3866	14683	10636	2279	3045	6694	24480	8365	5834	4308	7320	18648	15550	2208	2468	12543	6602	15699	6327	0	1475	0	23361	9809	16539	14487	24002	23077	3965	12488	18746	5660	8410	1201	0	11653	2193	0	0	4325	924	0	17348	8547	13035	15893	12739	0	9622	5835	4107	19383	2188	1559	7432	501	15563	7433	5491	24240	15624	8685	0	1628	0	27769	18332	11288	1355	10671	854	6658	4475	7117	4411	1814	1061	0	5364	4718	4809	14473	14543	74586	0	20889	22224	2013	904	0	11716	9680	6072	4508	6254	11715	5281	4007	1808	18829	7264	0	5497	27705	Peptide	0.54545456	1.8181819	0.18181819
10	C11 H20 O6 N2	277.1394	277.13965	0.3082569	277.1395	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1735	0	0	0	0	0	0	0	0	0	0	0	22558	0	1029	0	0	0	0	0	0	0	766	0	0	0	0	0	0	0	0	0	0	0	0	0	0	752	0	0	0	0	1222	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2137	0	0	0	0	0	1196	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.54545456	1.8181819	0.18181819
0	C11 H20 O6 N2	277.1394	277.13992	-0.016140157	277.1394	14344	16731	14157	15033	22544	44848	2181	28380	10517	2666	0	5328	33365	16324	4676	2631	2577	39197	24540	2842	10452	16448	9744	20381	9717	0	0	0	48429	6882	28419	22014	83834	29347	11521	20755	30224	4217	3062	3306	0	27388	16476	0	492	5651	0	0	27223	8560	13947	11899	28821	782	12972	4241	2575	38799	2472	817	8164	0	38157	13063	4227	31971	40829	2509	0	3035	0	23809	30299	14845	0	18098	2030	7822	2314	0	2275	834	0	0	3985	2525	3091	14472	29002	151013	37682	17247	31089	0	0	0	14748	12978	3820	2677	3517	22496	6169	4538	1728	35837	4290	0	3011	68213	Peptide	0.54545456	1.8181819	0.18181819
20	C14 H21 O4 Na1	277.14102	277.14145	0.59805655	277.1412	1471488	1583510	1503824	1281819	1576291	1370614	1096460	1394976	1303364	2034890	1196941	913568	1851245	1412566	1266021	1583997	1298050	1986234	2088033	2544185	2374447	1580709	1071209	1421830	1077826	1321065	1124732	1236513	1567285	1298916	1155917	1475768	1858412	1443334	2072072	1360585	2072923	980877	1294505	1499914	1311496	1254756	113432	55857	42873	1034182	961439	58617	1545386	1075580	1504357	1452953	1341782	49338	1609998	1285254	940797	1759517	1130823	937132	1468127	913026	1571333	1352115	875192	1697713	1274435	1395948	1044357	1555678	1592346	1153949	1279756	1272959	1373846	1395491	49264	945345	1189930	1148897	920738	681089	1220808	1100763	1301433	1015763	1321770	1339069	1293727	1608571	1983771	1888744	1973013	1170105	1448584	91416	1478322	1559168	1154857	1372414	1502104	1992793	944380	1631823	767645	1374603	1154765	55072	1036742	1807143	Lipid	0.2857143	1.5	0.0
18	C16 H20 O4	277.14343	277.14377	0.11134583	277.14346	2074373	2141627	1962295	1904396	1795467	1573767	1657614	1956698	1430916	2638114	1924653	1284679	2082770	1359455	1538841	2327905	2089655	2430268	2746207	3524577	3242386	2065217	1591476	1991786	1330802	2526683	1661234	1856901	1957462	1795342	1699384	2005356	2568094	2048099	2522032	1903350	2450160	1357366	2287264	2078353	2220312	1677726	105880	37921	43733	1410536	1417831	46790	2235499	1625964	2061725	1982771	1720873	42007	2029933	1518509	1236208	2487162	1296383	1484285	2073032	1454588	1918960	1621387	1065441	2072279	1712302	2384454	2049423	2647256	3046631	1550697	1462587	1698010	2056969	1922506	31769	1200737	1782271	1581551	1340475	1166290	1551725	1612085	1649406	1415820	1861427	1746164	1827008	2257407	2385791	2388147	2551579	1421676	2220289	69185	1993732	2018722	1475462	1597546	1737795	2499972	1193596	2034588	831276	1678764	1315378	41263	1485204	1808371	Phytochemical	0.25	1.25	0.0
14	C16 H20 O4	277.14343	277.14383	0.08844592	277.14346	1444426	1461518	1267456	1425135	1091267	966405	1284109	2703196	1034391	1303604	1022104	1944394	1083565	771662	1031625	3317526	1766316	1445059	1462202	1899942	2120703	1496120	1131881	1421399	1035817	2391613	2722586	1001765	1279172	2635852	2236280	1421162	1726827	2249468	1533353	1323869	1448045	997620	3910682	1407996	1578043	2072820	70545	36387	34644	1023026	1109997	44812	3025604	2292818	1359320	1283711	1068426	34745	1214906	961789	826543	3606916	892504	1199073	1420728	821526	1198448	1048038	704481	1176089	2163972	3798542	1725016	2492448	2755018	2117782	2235778	2291346	3012630	2695512	26387	1817600	1371797	920810	1153214	844595	1289142	1263816	1177410	763355	1570752	1025010	2438710	2195809	1373518	1270194	3681770	832650	1274816	56660	1388008	1321940	921308	1205329	1285138	1522981	1951740	1392715	594233	2693570	963938	34084	1154146	989569	Phytochemical	0.25	1.25	0.0
12	C16 H20 O4	277.14343	277.14383	0.060505547	277.14346	758307	897485	816759	810253	487751	414750	725378	753619	491194	621505	505812	430828	400015	334529	534375	1108526	1841028	594786	776906	881296	820319	802831	589170	841701	543288	1021293	1642594	416886	726620	1409822	1210952	829492	793824	621174	673556	657147	712665	1100614	2051654	599917	754505	493897	43767	33263	36235	555420	615338	40523	1769290	727829	815939	877684	509564	28209	635397	456877	421223	966213	492902	641684	964466	385895	600376	472345	326968	562331	474300	931047	879694	1085898	1248132	512658	579827	662289	1929360	1634926	23817	494164	1441548	460355	652646	528213	689828	557936	567137	424494	1584340	433836	534947	1140093	803813	793505	954181	423234	753652	45430	852708	797460	467288	557018	605407	887689	513167	741593	365615	686644	531769	33485	1204672	559724	Phytochemical	0.25	1.25	0.0
22	C16 H20 O4	277.14343	277.14377	0.10296151	277.14346	824771	817022	691359	806093	1009897	958263	564228	813194	804825	984343	577492	499113	932379	972259	713665	855225	654523	1403365	988548	1224714	1079251	791896	674641	816414	715274	463320	536555	619293	982061	754207	796163	906922	1073755	1141907	958709	907593	1284154	577909	663532	663530	538835	682839	76782	46875	48354	551038	401412	50588	933553	666798	800579	776474	845913	43511	996339	776822	658645	1006309	629449	413282	929823	429215	899649	786377	518281	1051004	998654	667431	398973	651930	596367	854863	735633	696015	511731	807915	39447	557908	647470	452177	535010	413855	580390	440644	797327	601385	747197	731311	776242	704270	1070672	1044936	930336	511910	773799	58735	703849	814662	687645	806016	791969	1100823	555478	832504	422963	799934	682046	46597	558129	1112298	Phytochemical	0.25	1.25	0.0
24	C16 H20 O4	277.14343	277.14377	0.126572	277.14346	278176	297104	241640	278556	393522	298246	202920	294114	266954	254107	169594	206285	421494	376710	286348	336128	257512	435887	485941	322129	298380	267851	271751	327725	234723	183062	181210	201202	299230	288756	268423	330178	387122	276487	295457	320899	452724	198899	271254	229341	182275	239995	45819	30601	53269	201349	137256	39109	349096	242068	266874	271402	303947	40295	356088	263314	185917	385581	210768	155522	369669	135688	324142	272788	166661	394119	300136	262508	157031	243006	214816	268010	245743	260061	214193	305823	40348	234870	266872	156559	218170	149550	194945	167100	290960	193332	277192	218835	284144	273047	362028	309705	387984	157458	233763	39404	275739	291198	258600	266417	285633	382523	209771	293970	149031	281849	236445	33354	223838	358693	Phytochemical	0.25	1.25	0.0
16	C16 H20 O4	277.14343	277.1438	0.11041053	277.14346	1937225	2107490	1923426	1986709	1769446	1457483	1795332	1857649	1479697	2702791	1886452	1287833	1760899	1262538	1499064	2396660	5194414	2259913	2540121	3782707	3875879	2126461	1525712	2022678	1370193	3456790	1726875	1720378	1757263	1700208	3469834	2018012	2421431	1584798	2800225	1950895	2217069	1279937	5037822	2267131	2537520	1530402	94297	43726	44704	1349434	1548405	49883	2188281	3400118	2104784	2006884	1673889	45387	1750748	1385542	1148151	2424272	1230953	1637843	2023661	1399675	1761578	1448806	970446	1824947	1584906	4720982	2890271	3643604	3814000	1576379	1676782	1678634	4339836	3803936	34636	1152314	1861885	1591338	1313229	1179851	1804624	1972692	1666901	1201736	2027004	1661942	1733580	2650792	2023207	2120023	2428737	1498811	2288931	64110	2025943	2036516	1360060	1530753	1756347	2528950	1145367	1813173	770745	1870609	1445663	40549	1537054	1809188	Phytochemical	0.25	1.25	0.0
20	C15 H20 O3 N2	277.15466	277.155	0.011493555	277.15466	5756	5409	3582	2224	2399	1722	3706	7136	0	2132	4482	2597	0	1378	4248	9508	7429	3019	3509	2459	2959	6189	2814	12094	6096	2599	3734	14943	5055	3868	4911	6386	8360	5750	3217	4127	8537	4366	9434	4594	7019	5264	0	0	439	4910	3308	534	4945	4517	3235	4766	2059	346	0	1178	1723	9428	2364	4976	9053	3191	2087	0	0	2715	4599	9442	1878	0	2384	5691	4493	2726	2465	5319	0	5522	3556	5920	4243	2797	4360	0	0	1874	4143	5063	5247	7495	32422	11008	12589	4361	7455	525	5967	5639	1458	0	0	7575	4627	3482	2335	10520	0	0	4928	0	Peptide	0.2	1.3333334	0.13333334
8	C15 H20 O3 N2	277.15466	277.1551	0.07476764	277.1547	215329	231528	215974	217315	51676	87395	64462	112899	36224	198999	141761	68928	49160	37690	61234	143307	101059	68879	80130	138076	143488	133391	70167	159595	80894	106620	76392	341594	120594	92301	108351	130414	139845	131223	160104	100610	174509	58557	145730	127566	147502	59814	602	447	349	99968	115481	391	138184	94051	186570	210322	52393	612	37909	16460	30312	139817	32725	64506	126360	74218	43605	33609	29132	54588	57675	134520	79955	127785	152565	115732	122585	97341	93763	110351	0	70525	101480	138986	72142	47984	50306	95334	26884	24284	100938	67959	76147	200662	5798434	1527081	247072	246338	188079	850	203459	203768	27976	28398	29263	125962	63751	102577	35030	123184	30757	0	94876	55053	Peptide	0.2	1.3333334	0.13333334
18	C15 H20 O3 N2	277.15466	277.155	0.013930466	277.15466	14106	17237	14437	11367	11210	8081	13898	17850	1866	15514	13900	12547	5205	4837	10016	23613	30723	5097	8429	10898	10173	19194	8968	24830	13128	3761	13818	16892	17953	16027	17385	20123	19877	17332	11016	11057	24335	8616	30404	11229	20481	9587	0	0	0	8624	8705	398	21222	17376	16184	16819	10145	240	2503	2301	4102	28537	4691	14821	27300	7713	3831	6969	3381	7788	10794	34084	5516	8727	10517	13140	11426	12180	21051	15664	300	9910	17481	14677	12861	6521	13348	7360	2416	5822	12793	20153	11321	26384	57928	24071	30120	9734	10167	570	17531	10955	4252	5364	3411	22877	9321	17213	2889	23398	6740	0	17806	6352	Peptide	0.2	1.3333334	0.13333334
14	C15 H20 O3 N2	277.15466	277.15503	0.003006678	277.15466	121480	132981	113313	125563	46808	38279	157788	135767	33260	82318	56203	109093	27174	24138	77222	165703	226685	62897	66869	76142	85206	147070	76508	167884	91904	38117	168463	71690	105395	136189	135013	168819	212418	158550	78810	135697	215514	82975	243322	96041	145806	53892	3557	309	333	79289	107569	662	173328	126041	129363	116948	54700	621	36220	20065	48764	190840	52958	166317	123478	46707	21467	21719	36309	44594	48078	264257	25024	47586	72955	154661	142387	106387	171880	141849	387	88560	119726	72940	115010	65091	111834	74260	23711	38168	115006	101424	87009	323012	351513	139970	228808	67012	94141	766	128849	111193	30095	29054	30876	236941	102556	141396	39573	166475	43735	385	144423	22848	Peptide	0.2	1.3333334	0.13333334
16	C15 H20 O3 N2	277.15466	277.155	0.012205042	277.15466	51531	45473	49198	45875	20785	21671	42407	57311	9098	31112	26165	44468	8520	14936	36689	88898	110440	24729	24239	37617	35030	51481	35710	70918	32724	20734	48126	37824	52192	52213	50944	69131	72449	64854	35412	59758	67126	33237	121391	37652	57556	25944	588	379	304	27566	36049	624	76676	59284	48767	39864	30618	465	7612	8059	13769	75241	25991	62293	53354	19306	7462	11310	14163	20341	28561	120662	16405	21355	36225	55598	66083	54431	74390	58466	399	36484	43983	34148	39127	24381	39523	26439	14224	18348	49099	42187	38204	120182	160895	59810	94525	30705	43169	550	44074	43272	12318	7777	11513	78074	34963	41684	12297	85479	14511	386	60511	12524	Peptide	0.2	1.3333334	0.13333334
2	C15 H20 O3 N2	277.15466	277.15518	0.048861977	277.1547	128357	129934	116510	115731	39740	49976	90563	157923	36835	185720	87842	84955	45045	28817	103613	148608	156797	69504	88076	204561	225061	175663	94435	152527	105223	110718	82320	81528	159715	127129	132478	144668	159728	116946	211344	153955	165362	81719	167563	193714	171191	67940	546	0	0	84910	113024	317	173630	125877	114237	113847	57222	423	68293	16938	30711	144749	31145	57159	136599	94927	42665	50794	27456	55173	75083	188229	95357	145830	178004	124384	127176	150134	155655	132905	0	88755	102744	111347	89380	42725	57468	114822	24240	36698	105850	68415	74605	215506	145485	135015	265415	96584	159125	836	122617	132269	24476	14703	17610	161572	77952	188075	53901	135302	18649	0	95595	51751	Peptide	0.2	1.3333334	0.13333334
10	C15 H20 O3 N2	277.15466	277.15506	0.035674013	277.1547	91418	83944	81290	72059	32728	33741	69611	91805	22651	85843	56169	60498	20234	16547	55552	114824	120588	38281	46965	110115	114365	113936	66350	122894	68720	67283	89179	63853	80069	83991	73562	99203	113951	88850	92758	81013	108941	58521	143770	101929	122126	44083	720	0	424	72316	89108	0	111298	86820	83996	85726	38337	308	27224	12298	23632	112225	37139	80568	109208	54731	17530	21806	24847	31752	38861	164309	52386	90787	94297	80429	73211	71391	96086	81878	0	49120	80023	94065	74428	47030	56948	59891	18581	27188	88695	54429	49591	179178	275370	134831	162011	70192	126928	866	75254	84274	18786	14004	17986	107411	52059	93780	27084	94595	22653	519	81165	27784	Peptide	0.2	1.3333334	0.13333334
12	C15 H20 O3 N2	277.15466	277.15506	0.003368473	277.15466	107442	134255	116980	114346	45649	57873	153369	161580	31466	81061	60516	96338	19215	25186	76422	177361	264066	64989	63851	106624	99464	145399	73565	176651	84459	57603	130642	65845	159310	164270	167396	181580	260987	186099	99698	148351	208294	86735	293993	103986	166124	62663	735	484	396	100337	106370	0	205992	159576	118951	126671	55790	460	30565	17616	40631	181241	46747	115466	160587	60983	23416	28734	30371	47185	56337	300403	33430	68481	80596	150353	176783	172718	206365	163336	0	97741	102910	107939	94917	74064	86096	70372	24385	34993	106391	74733	76384	255380	236162	153463	191824	97986	131704	501	131046	124451	29155	19763	22342	247873	95563	114473	55462	152460	33884	575	109045	42484	Peptide	0.2	1.3333334	0.13333334
6	C15 H20 O3 N2	277.15466	277.15512	0.056323636	277.1547	266384	290365	265009	258188	89883	94728	126497	191818	65846	220301	165403	92073	63004	57840	116967	236181	159219	113868	148802	216133	218211	215939	120874	269060	148113	147716	119764	482534	203676	157610	169843	217925	269773	222936	248857	169491	264859	106680	210242	151813	151383	105121	1068	293	320	136637	129799	384	259294	145814	270916	263847	96246	1505	79693	28684	46901	237971	20701	62055	230777	80024	59247	55812	37787	87482	111792	227890	102784	214733	215720	190916	169024	143734	138763	163371	301	98742	125806	1183234	108829	45184	48241	133836	37966	48992	152715	135312	146209	358215	4392471	1647052	389194	329444	310585	1006	260571	256650	40486	30595	43994	243333	100236	166448	45991	229149	44592	414	126520	96480	Peptide	0.2	1.3333334	0.13333334
8	C12 H24 O3 N2 S1	277.15805	277.15833	-0.062252067	277.15802	10681	16510	15279	12396	0	50730	0	0	0	946	891	0	0	0	0	1914	0	2005	0	0	0	3495	0	1715	0	0	0	47118	0	0	769	1014	976	2117	0	0	4134	0	0	0	0	1905	0	0	0	0	0	0	0	0	12940	13180	0	0	0	0	0	1088	0	0	0	0	0	0	0	0	0	0	0	0	0	1756	1172	0	0	0	0	757	0	29770	0	453	0	0	0	0	0	649	768	0	1121606	686535	1942	7147	3261	0	14254	14538	0	0	0	0	0	0	0	1275	0	0	729	0	Peptide	0.25	2.0	0.16666667
6	C12 H24 O3 N2 S1	277.15805	277.1583	-0.14339636	277.158	6775	8538	9142	7550	0	76665	0	0	0	0	0	0	0	0	691	1451	0	850	0	0	0	1699	0	2139	529	0	0	41357	0	0	0	0	1009	1892	0	0	3875	490	0	0	0	881	0	0	0	0	0	0	0	0	8410	7774	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26934	0	690	0	0	0	1213	0	949	0	1292	462800	312419	1762	3104	1902	0	6852	8205	0	0	0	0	549	0	0	1129	0	0	986	0	Peptide	0.25	2.0	0.16666667
10	C12 H24 O3 N2 S1	277.15805	277.1583	0.26514187	277.1581	6618	4717	7157	2486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6298	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4159	5096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5767	0	0	0	0	0	0	0	0	0	0	696417	382388	0	1681	0	0	3746	5163	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	2.0	0.16666667
4	C12 H24 O5 N2	277.1758	277.17627	0.12129719	277.17584	875	653	940	990	1437	328	630	0	1362	0	0	0	6217	0	680	715	1058	889	1051	0	0	526	652	1009	556	0	0	0	0	0	0	0	0	0	0	0	640	859	1190	0	0	0	3512	0	0	0	1099	1369	0	0	942	766	0	0	1837	822	566	932	343	474	0	0	818	891	0	5556	0	0	0	0	0	0	0	385	0	0	454	495	1666	0	1624	487	304	0	1302	595	1586	747	0	60000	0	836	856	0	0	0	0	590	1096	8359	4255	0	0	0	0	404	1136	0	882	7987	Peptide	0.41666666	2.0	0.16666667
2	C12 H24 O5 N2	277.1758	277.1763	0.09039853	277.1758	5012	3746	3407	5421	15114	0	1711	3513	5773	724	0	1546	21965	3730	2061	3167	4022	11336	7628	1185	818	6144	1765	6154	1603	0	0	0	4357	2492	2977	4178	4178	4029	978	2629	4994	2182	4217	3169	0	0	17945	423	932	1833	500	1406	6299	1759	4484	5912	3585	0	5442	3246	1727	5954	520	1657	2635	544	4939	3767	0	28252	2486	5567	0	492	446	4226	3180	1956	1279	2201	2977	2508	1611	0	2340	0	533	0	2255	1643	2371	3885	2404	1001827	4196	2728	7834	1763	1221	0	3975	5149	4259	5736	3456	3080	1556	1556	2326	6235	3488	0	1357	53887	Peptide	0.41666666	2.0	0.16666667
0	C12 H24 O5 N2	277.1758	277.17636	0.05069375	277.1758	28282	24500	25413	23280	15654	16823	6160	9443	8264	3857	5487	5706	33551	44907	5176	4804	10365	39514	13721	4086	23672	11594	9584	16312	5652	805	0	3763	81639	4837	14737	49004	41262	29347	5095	16397	11802	14101	6891	170737	2796	8621	202785	11817	61124	9440	2254	9092	64490	8546	22898	26100	20458	12194	7182	3177	6323	13046	4468	18444	5755	6241	10787	8429	12693	32893	12356	11630	5959	6101	3849	31164	15627	6354	2821	8622	31849	22724	3779	12624	6318	4008	6065	0	2608	4563	4563	32759	11046	1643218	0	39015	14100	12745	2459	11278	20196	24449	3801	6080	5464	8804	7520	3928	47742	24127	4186	4934	3857	60117	Peptide	0.41666666	2.0	0.16666667
20	C15 H25 O3 Na1	277.17743	277.17764	0.5108649	277.17755	0	0	0	0	0	3946	9299	0	0	0	1800	0	0	14976	0	0	0	0	0	0	0	0	0	0	0	0	22262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2358	855	0	0	0	0	0	0	0	0	0	0	0	0	0	3787	0	0	2043	0	0	0	0	5877	0	3165	0	0	3827	3338	0	0	0	0	0	0	0	0	0	0	0	1965	13338	0	0	0	0	2002	2492	0	0	0	0	0	0	0	0	3437	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	1.6666666	0.0
24	C17 H24 O3	277.1798	277.18015	0.11911434	277.17984	980052	972701	872333	955479	942484	783518	2123075	950155	673789	1484563	1343294	576993	757379	1020512	970477	1193064	1014415	913886	1228765	1924125	1762303	853649	618623	868117	847613	1301225	2049359	1666673	1369018	857140	792907	1056833	1084253	871183	1516591	1074952	1120003	671155	1035257	810453	847677	860234	221487	199069	256035	954934	964996	240744	1143170	857248	950149	903188	812984	316306	824290	661300	578099	1231334	728767	752516	1024597	554964	704832	607832	546782	975375	1180180	1047105	599788	664047	741022	667130	705919	912130	751694	974524	276009	679333	720523	1367033	530167	879487	1079145	1545914	779605	757996	1003893	717593	934612	1088175	1665089	1416565	998849	888706	1208506	224066	943368	1043173	770576	688536	762338	1190167	569738	1075888	766303	860551	713123	252478	881195	695890	Lipid	0.1764706	1.4117647	0.0
12	C17 H24 O3	277.1798	277.1802	0.069500215	277.17984	41409	42455	35875	45560	16481	23038	48529	32499	13547	20111	23332	21790	13369	20029	25404	53666	45723	14895	22908	26799	20424	39791	24812	36872	27435	25079	56557	13506	30361	36487	25808	40440	30471	23853	19716	29404	30548	24032	56454	19916	25362	22345	12944	10855	10289	21300	31586	13493	37515	39892	38614	43320	16983	9943	19234	23529	18283	47673	19080	25056	47902	11023	19006	16033	19785	16398	20378	54920	0	21470	24273	20332	21306	36557	58855	36584	8922	23375	36796	0	28307	25188	37133	26644	22857	18911	41616	15112	16919	70922	36584	39402	41252	21332	30189	12002	42297	38741	21648	28541	31168	46567	20637	35793	0	29410	19920	11098	34605	11884	Lipid	0.1764706	1.4117647	0.0
16	C17 H24 O3	277.1798	277.18018	0.051367227	277.17984	159993	173902	172273	167449	124768	98194	300652	165792	104946	135114	128976	118452	99904	124818	139670	238194	354056	111811	166477	174341	166174	160699	117785	169108	148653	301539	294776	134189	166716	155152	142804	185652	188661	117925	126852	186743	166082	132161	353243	119987	179818	135698	21549	13335	13329	98043	145417	15139	182255	165133	170027	169298	121743	13217	106646	125685	103877	233475	97996	174221	186921	80680	113107	88423	104851	128011	136698	300569	193346	213672	274794	106420	128476	181364	287537	173207	12868	99370	205267	161533	126665	117569	378002	353637	165391	130168	253341	115792	133896	402532	200854	198092	230679	120858	170069	14891	175753	174922	111034	182782	230550	213263	99121	131019	70122	191011	136194	11767	177173	97834	Lipid	0.1764706	1.4117647	0.0
14	C17 H24 O3	277.1798	277.1802	0.059346076	277.17984	86843	82587	63442	71486	40339	41448	95700	69898	36883	49598	47703	58676	33981	48419	60759	82333	135901	38012	52504	56415	51422	75075	47464	63751	65087	75078	103252	45409	64156	74391	58992	82945	79036	48745	45234	64979	68802	53767	143872	45823	63196	52271	14147	10723	10238	44570	53142	13960	80866	66445	73906	68200	43132	10587	46128	48195	52220	101071	46511	72452	66058	29003	42184	42192	44394	37850	53274	149882	46288	60036	74923	45870	52861	72727	98899	67693	10343	46787	80823	42769	66691	45146	97159	75611	70727	46525	113196	41529	48085	180019	93150	66479	94665	46746	55061	12426	71882	66256	45304	68188	89620	80835	52219	65646	35777	71840	50479	11225	82214	28291	Lipid	0.1764706	1.4117647	0.0
22	C17 H24 O3	277.1798	277.18015	0.061619464	277.17984	1004302	1034486	886556	1004581	858792	702003	1315393	875478	661015	1519912	1324662	558428	570973	943367	811426	1103020	1165743	913047	899585	1768934	1874662	969335	606021	774094	898335	1710157	1408679	1409291	1188481	888400	784883	1029651	1087671	918039	1363689	1076221	1101472	721916	1083549	924823	1077656	846424	114701	78821	68736	828242	910775	84121	1004278	796363	1007871	918280	792276	110239	748252	678809	621554	1248666	649835	761437	1008676	661963	692860	606736	613913	941759	1022029	1132779	1064711	1496213	1625830	666497	712101	820719	967362	941340	68406	523995	780877	1236543	572400	823680	1238260	1598748	744226	760978	1163477	801169	875735	1261264	1501093	1385959	972435	947972	1212942	147680	869483	1042085	728658	881120	854638	1283255	584592	991349	734809	831566	741436	90488	922719	667916	Lipid	0.1764706	1.4117647	0.0
12	C16 H24 O2 N2	277.19104	277.1914	0.033826806	277.19107	3400	2849	2477	3875	9076	1819	0	2574	2783	3527	0	1188	4285	1696	2094	6851	0	0	2052	6315	5399	0	3743	6352	13845	4125	0	8327	4926	3276	3545	1756	5651	2961	4955	2175	3892	1407	1569	6452	0	1853	0	0	0	3305	0	0	3692	1626	4785	3480	3106	0	7763	7091	2169	10880	0	0	0	0	1627	5611	0	1802	3539	0	0	5464	6552	2321	1899	2299	1152	2750	0	2184	12223	0	1299	0	0	3448	0	0	36828	1923	1684	29870	11724	0	18894	0	3694	0	2436	3791	1308	12815	17045	3116	1427	0	0	5560	3477	0	10032	2762	Lipid	0.125	1.5	0.125
22	C16 H24 O2 N2	277.19104	277.1914	-0.16070308	277.191	0	0	0	0	10159	1188	0	0	0	0	0	0	2275	23904	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2271	0	0	0	0	0	0	0	0	0	0	6704	0	0	1225	1692	0	0	0	0	0	0	1200	1365	1987	7420	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1518	0	0	0	Lipid	0.125	1.5	0.125
6	C16 H24 O2 N2	277.19104	277.1915	0.114375	277.1911	9015	7357	7735	5992	1386	3078	3137	10894	1080	14762	5180	3440	726	954	4381	11009	6618	2370	4329	10399	13627	5533	4316	11624	7196	4370	5255	4438	7415	6356	6885	8929	8776	8148	13409	7649	7460	4859	9340	8147	3101	4004	0	0	0	5792	6225	0	12709	7737	5676	8778	2711	0	937	0	1799	8925	0	0	9354	3726	0	1576	2354	1888	3048	11770	3185	7541	7288	7298	6673	5725	9733	6084	0	3726	5229	3710	3754	343	0	6743	0	0	8499	4152	4513	26696	10255	1282	22609	4574	10723	0	6088	5419	822	515	0	8518	3715	6923	0	10309	616	0	6450	0	Lipid	0.125	1.5	0.125
4	C16 H24 O2 N2	277.19104	277.19153	0.070073865	277.19107	6877	7693	7449	6086	1433	2319	4037	9385	1340	8105	3988	5444	512	1214	5212	13417	11444	2034	2706	7856	8668	7580	5338	14473	6547	3369	5295	5190	8661	5372	7822	9223	9547	8979	8362	8337	7907	5158	9868	6608	4273	2600	0	0	0	4760	4559	0	8282	9495	6788	6159	2865	0	1054	355	1687	11341	0	402	8537	3357	832	1065	1061	1316	2277	13937	1745	3317	3975	6797	7167	8806	10821	7511	0	4853	8782	4845	5604	636	613	5521	0	1349	6709	3179	3728	21684	8792	1130	19256	6740	11936	0	6999	6319	858	0	0	7982	3986	5274	0	9621	0	0	7760	595	Lipid	0.125	1.5	0.125
2	C16 H24 O2 N2	277.19104	277.19156	0.07413272	277.19107	8229	7555	9179	6880	586	0	5527	12549	0	8789	3584	6547	0	672	7593	14958	11862	1491	2052	11599	10655	9564	5544	14709	6913	3944	7087	4327	10171	12515	10214	11857	9331	9094	8087	10462	9555	6174	12081	10348	6625	0	0	0	0	5207	5726	0	13758	11239	7728	7439	1865	0	650	0	1445	13373	0	549	13071	5173	0	441	0	1015	2284	14652	2486	4984	5710	12230	9874	12939	13921	10044	0	6126	7346	7752	6197	1167	1779	7611	237	1547	6200	2771	3162	31216	10716	4743	32026	5892	13253	0	6993	7468	0	0	0	10727	5696	10669	2871	13061	0	0	7817	0	Lipid	0.125	1.5	0.125
10	C16 H24 O2 N2	277.19104	277.1915	0.13151647	277.1911	7071	6859	6614	5212	2864	5528	5409	5954	0	10679	4128	3234	4246	2842	3056	10682	9212	3765	9750	11661	9205	2447	3364	13427	10247	5833	8347	5980	6407	5547	7250	9248	13192	6331	8721	5500	14754	3587	8977	6676	0	4602	0	0	0	3416	3831	0	9740	3474	6536	3793	4426	0	0	2503	5323	13389	0	0	9227	1305	1757	1422	8104	15449	28365	17938	0	8412	7005	4536	4235	2777	8547	4733	0	2041	8251	0	13374	0	0	4591	1845	5013	3379	9035	10119	12519	12214	0	20993	4481	11809	0	5936	7029	1883	2426	6932	6703	3444	5613	0	11786	2316	0	12491	0	Lipid	0.125	1.5	0.125
20	C16 H24 O2 N2	277.19104	277.1914	0.07415596	277.19107	0	0	0	0	2101	2063	0	0	0	0	0	0	1900	3154	0	0	0	0	0	0	0	1303	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3150	0	0	0	0	1586	0	0	0	0	2703	0	0	3321	0	0	3060	0	3182	20030	19716	2060	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1206	0	0	0	3066	0	2386	0	1378	0	0	0	0	0	0	0	0	0	1409	1324	0	0	0	0	0	Lipid	0.125	1.5	0.125
22	C14 H28 O5	277.20096	277.20135	0.07565028	277.20096	0	1537	2799	0	2083	1400	0	0	0	3622	0	0	2917	0	0	2797	0	0	0	0	0	0	0	0	0	3178	1017	2719	6229	1355	0	0	0	0	0	0	0	0	3463	0	5607	32226	3223	0	584	0	7401	0	1842	1484	1387	2525	0	4363	0	0	0	0	2821	4386	0	1752	0	4186	0	1728	4297	6477	0	0	3005	0	0	2162	2655	1149	2885	1006	1812	6745	0	4662	0	1678	0	2098	1474	2008	0	3926	1988	3747	4010	2442	2230	0	0	2214	0	0	2077	2147	1203	1132	27489	3926	1108	0	1095	0	Lipid	0.35714287	2.0	0.0
24	C18 H28 O2	277.21622	277.21652	0.10799381	277.21625	447404	466209	416560	429896	360026	578637	1089793	572069	78610	252611	244615	152565	197060	880637	166238	350426	301944	224810	317043	217981	167268	243768	146489	171317	172314	400048	1061414	466635	242871	377970	228714	340920	365187	207801	159214	319577	202343	173998	308595	214497	226425	768736	51925	11606	15862	294411	278766	16434	464618	1023928	424074	454813	244375	100278	121039	414310	1203868	349832	91538	507641	361964	100235	318529	88980	1975673	419469	636836	340634	185127	262893	254099	649830	217066	551470	239317	424556	24837	176684	1361520	1075426	273363	312639	346801	437293	918546	1547259	665598	738509	468638	691604	1405921	1145512	760798	268125	397707	30403	451970	498906	373843	674803	3189088	251049	157024	257474	164258	187646	1535605	13435	246884	399464	Lipid	0.11111111	1.5555556	0.0
26	C18 H28 O2	277.21622	277.21655	0.10094405	277.21625	328654	319355	330039	299843	339163	301907	528238	219692	122323	131861	281483	99835	162321	447796	159875	214584	198015	179504	276257	168174	132924	126174	92238	137969	168236	268940	545146	651073	195202	212172	132419	198878	225004	139784	137006	226290	133701	176764	212123	154693	174968	840136	38700	36052	37242	213735	162527	29326	255986	293439	333486	311440	205196	63427	139304	314138	1085132	251409	147207	200261	213068	119232	190254	104367	1466421	302567	594185	235825	171567	165975	148066	198560	136833	229097	133087	236286	46488	141037	142685	885908	96177	338548	229507	205883	886314	2077590	384852	925770	411756	269466	1255848	1080275	177223	216766	198861	40749	328863	358014	284561	560877	1868387	194058	112795	203509	255949	124002	1624043	25064	208328	206927	Lipid	0.11111111	1.5555556	0.0
18	C18 H28 O2	277.21622	277.21652	0.10715075	277.21625	2634	5798	7834	5391	2380	3436	14373	5531	1164	0	0	1071	0	4309	0	6558	10031	2678	2661	0	0	1967	1390	1772	3042	2223	17288	3475	4168	4431	2637	5245	3444	0	0	6834	3456	2171	11321	0	0	3948	725	0	276	0	1228	0	6415	8970	3530	5605	1898	1963	0	1252	2771	4143	0	2969	6909	917	2495	0	2737	2870	2896	15375	1386	0	0	2157	1582	3406	9323	4482	373	2694	6102	60330	3174	0	12663	12041	3040	7975	11241	2636	3156	26616	55104	19831	7300	8557	7773	603	5331	4473	1486	1729	5258	4414	0	0	0	4254	2607	0	4535	2896	Lipid	0.11111111	1.5555556	0.0
28	C18 H28 O2	277.21622	277.21655	0.075825356	277.21622	56495	46166	45664	47359	53494	45914	98569	54385	38389	36083	61175	27506	35159	60850	37672	39818	43523	35181	44515	35081	35062	33477	33775	36393	49560	44445	77374	138193	52084	52695	40845	49788	50637	39561	32326	56417	35201	51177	43559	36468	35879	81983	26342	23585	34366	42203	33231	22461	45951	59133	51933	49567	43662	35048	40566	49155	146832	49786	49160	44003	46233	38807	34648	31336	135774	61024	90502	45552	36162	28970	32492	36971	37998	54799	35355	42776	33963	44627	40042	131871	31855	67234	48928	44915	118802	231825	80754	72820	53200	54694	205717	139880	46379	49428	39205	22612	47493	49033	49274	60753	135795	46307	39573	65975	64161	37929	207834	25297	44318	41617	Lipid	0.11111111	1.5555556	0.0
22	C18 H28 O2	277.21622	277.21652	0.08161385	277.21622	134951	157641	120756	147659	113171	165902	481068	116839	34068	81641	98811	43717	51622	285455	46438	141531	173706	73823	91926	60608	57182	50326	42111	48587	70607	117221	516488	177569	86947	105172	62915	109106	99851	73665	54012	103240	66118	60825	177829	60927	84549	305092	18235	5055	4309	99898	105567	5738	163802	161509	148274	153881	80710	46291	34384	95403	301052	133015	30327	251758	124471	31345	103417	25322	613522	130591	213741	201145	50877	60078	74188	71353	55611	81263	129072	131881	6736	39372	87737	924648	44230	89016	203059	248674	242383	507126	149167	382126	166886	294479	840708	689920	113798	157518	149495	12653	128622	152166	109512	353503	1032435	86617	50455	71764	43386	59053	406161	4336	83107	102755	Lipid	0.11111111	1.5555556	0.0
20	C18 H28 O2	277.21622	277.21655	0.1274972	277.21625	30190	27712	29197	26062	12092	20821	133283	20680	7203	11341	10720	9520	10175	48241	11223	31987	48187	7642	10910	7313	10863	13860	6870	10921	16866	31381	145685	21312	19875	19899	16654	22768	25169	16661	8039	23436	19866	11664	50080	8806	17232	24787	5089	1483	1000	16848	19399	1224	32432	33319	27845	30756	12656	13862	3286	8832	17459	31053	4418	40005	27114	3837	23343	4271	38293	26724	25092	52768	9868	12342	12585	12528	13241	22909	47468	30688	1230	9720	19740	290499	8179	16003	106442	116673	16780	19009	42287	22349	14812	95264	242629	105400	34793	26082	25191	2919	28165	29966	18625	18803	39589	19759	10160	14504	8794	18788	16613	995	25182	25111	Lipid	0.11111111	1.5555556	0.0
24	C15 H32 O4	277.23734	277.23764	0.053631477	277.23737	11552	16281	15036	11251	10176	14796	4992	3354	1311	6198	9832	1387	4604	77246	0	2423	27877	3538	12847	7500	12655	17441	0	5537	0	15140	6957	35483	7672	0	12030	7160	27976	1872	13562	3344	33826	1439	33441	5248	48775	34522	0	0	0	4521	32966	0	5873	4604	14840	14439	5922	28256	0	0	975	5991	2156	20138	2262	2862	3489	5219	1719	7252	114650	45026	5948	0	37826	2678	3113	5089	3370	7903	0	1278	1584	56974	969	12809	4129	5315	0	223701	0	11492	16606	30991	12293	27825	25064	3433	3097	0	14051	10630	0	148536	119155	20453	2978	8573	3461	0	1973	0	0	4189	Lipid	0.26666668	2.1333334	0.0
26	C15 H32 O4	277.23734	277.23776	0.06775945	277.23737	3512	0	0	4261	0	0	0	0	0	3426	3178	0	0	0	0	0	0	0	0	0	8122	2078	0	0	0	0	0	19760	0	0	0	0	7959	0	0	6457	8257	0	5737	0	13432	13370	0	0	0	0	15411	0	0	0	3030	1943	0	0	0	0	0	0	0	4509	0	0	0	2974	0	1426	9451	9618	0	0	6242	0	0	0	0	0	0	0	0	7600	0	2848	0	0	0	30035	0	0	0	3247	1789	5350	12535	2240	0	0	2863	0	0	18423	91316	8864	0	0	0	6456	0	0	0	0	Lipid	0.26666668	2.1333334	0.0
24	C19 H32 O1	277.2526	277.25287	0.062267847	277.25262	1529	3243	2500	3101	0	0	61270	2346	0	0	2926	0	0	27027	0	1512	7422	0	0	0	0	0	0	1097	0	4777	68597	4034	0	4412	0	2002	0	0	0	0	0	1106	9213	0	3292	0	0	0	0	0	1886	0	1891	1544	3352	3458	0	0	0	2096	1864	1971	0	5177	3933	0	5639	0	22256	1372	6876	6668	2308	1674	4117	0	1032	1326	4085	2573	0	0	0	8441	0	2781	9526	10221	0	0	4130	0	2282	6677	5850	4647	0	0	2328	0	3293	2540	3025	0	0	0	0	3014	1262	985	0	0	2250	1324	Lipid	0.05263158	1.6842105	0.0
26	C19 H32 O1	277.2526	277.2528	0.10199868	277.25262	6844	8168	6548	8131	2504	0	95934	0	0	2167	14881	0	0	62247	0	5156	10064	0	0	0	0	2560	0	0	6244	18089	114275	27784	6437	9154	2783	5605	2679	3757	2256	9199	2843	7729	14608	2772	10085	0	0	0	0	0	5995	0	6399	0	6753	7230	2534	0	0	6656	9766	4694	3944	13223	13215	6562	14054	0	68129	3382	8253	17424	14916	2460	7733	0	0	0	7896	10897	0	2890	6109	24308	4534	18473	12307	18306	0	0	23367	4410	4420	18487	13340	8756	0	4616	0	0	6855	7240	13755	0	0	5695	2773	12660	6607	1826	0	0	5649	1890	Lipid	0.05263158	1.6842105	0.0
28	C12 H7 O7 N1	278.02954	278.02985	0.16293149	278.02957	11498	12537	11896	14139	11116	13605	6846	2347	13442	5179	1291	4419	10444	12531	10914	5703	7684	48258	47112	0	0	7112	19114	6736	6329	0	7849	0	2976	0	3233	1922	17017	1748	2585	0	10901	10579	8461	0	1357	13175	0	0	0	0	0	0	2875	0	12019	10866	20027	0	14116	3360	10251	8539	0	0	5788	0	13945	20554	9652	20703	23568	34367	0	0	0	1248	1701	0	5489	3273	0	4256	47893	2862	39561	0	0	0	10373	10312	35207	23697	29666	35974	5331	3136	38100	2172	2137	0	13286	11367	5940	3657	5363	17746	4713	0	0	13521	5990	0	11924	17782	Phytochemical	0.5833333	0.5833333	0.083333336
26	C12 H7 O7 N1	278.02954	278.0298	0.10237951	278.02957	2854	2751	0	3109	5797	2533	0	0	10008	0	0	0	4805	2995	0	5012	5896	11538	32264	0	0	5784	0	0	0	0	1782	0	0	0	0	0	4489	0	0	0	1656	0	5179	0	0	0	0	0	0	0	0	0	0	0	0	3649	4137	0	4955	0	0	0	0	0	0	0	12393	5362	2367	11373	3206	4843	0	0	0	0	0	0	0	0	0	0	5571	0	11699	0	0	0	0	0	2204	3506	4420	11164	0	1553	4000	0	0	0	0	0	0	1976	0	0	0	0	0	2376	0	0	0	15138	Phytochemical	0.5833333	0.5833333	0.083333336
10	C13 H11 O4 N1 S1	278.04816	278.04865	0.27206334	278.04822	2836	4248	3748	2698	5959	2536	1427	1790	4647	4618	2381	1477	5007	1471	1640	3295	3993	6135	5962	2769	3615	6911	2421	3409	1758	2652	1819	0	1699	1496	0	0	2468	886	4341	1487	3237	1920	3017	7596	16266	1922	0	0	0	3362	7043	0	0	997	4730	5639	4706	0	5318	4617	0	6002	0	7700	0	5116	3393	5227	2098	6571	3366	3066	0	4581	6961	0	972	0	1241	0	0	963	4928	7239	3320	2822	1501	4071	4646	1249	7595	5111	3203	21239	6186	7718	11986	7308	8807	0	4341	4580	3406	6434	3753	3348	892	0	0	5663	2382	0	2275	6356	Organosulfur	0.30769232	0.84615386	0.07692308
6	C13 H11 O6 N1	278.06592	278.06644	0.22733384	278.06598	9512	10912	7619	10072	16174	7490	3632	5767	18554	8164	4695	4567	29918	5931	5050	11678	8419	20482	22408	7458	10982	14740	8715	7480	2133	2303	2773	2844	4026	3392	4005	3441	9617	4378	8858	4599	8273	6110	4733	6088	12826	8178	0	0	492	5482	6980	551	6480	4282	8967	9774	13257	478	24457	17622	7622	10160	3724	6165	10953	5090	33409	22172	7787	20770	9762	9266	4769	4181	8463	3842	3895	2578	4258	3320	315	3914	6528	3457	5295	3985	2722	1570	17869	8817	7339	12638	10624	16774	0	3851	13429	6737	6754	599	8633	7728	11891	20833	20150	7205	6409	6186	0	8232	14762	0	4155	36724	Phytochemical	0.46153846	0.84615386	0.07692308
14	C13 H11 O6 N1	278.06592	278.0663	0.16937411	278.06595	43891	41894	37350	32871	51733	38897	26473	22703	42706	28172	29867	21325	73167	28434	21793	41048	42146	81692	66610	15313	26131	76653	31101	42433	21512	4940	26499	8815	19492	20075	27516	25377	40987	25428	38845	20633	45842	22153	43000	23399	49704	36324	0	706	991	17207	30732	1755	29012	20774	38363	38309	43472	1151	49577	32384	27135	59073	15281	27876	43818	20514	68042	54031	23807	72839	36859	49823	15837	14549	22248	20751	16881	12219	28306	24473	834	27420	48176	32063	30561	15543	14344	15428	46176	26675	53621	52712	45654	100222	30092	36253	80725	50094	39965	1415	39095	32954	32128	46861	49505	42856	24463	22839	0	55342	30565	873	30695	85125	Phytochemical	0.46153846	0.84615386	0.07692308
16	C13 H11 O6 N1	278.06592	278.0663	0.18100154	278.06598	14642	23164	18055	22682	33876	25877	13299	13316	28539	10598	12217	15154	45240	19800	15163	20574	17140	50146	42791	5902	8590	35584	24249	24910	12351	0	13396	5608	9954	9250	13701	14664	27389	6918	15285	9121	24605	12801	25587	10767	23923	19054	1509	1190	1391	9183	10454	1463	17174	11281	23984	22747	30142	1042	25568	19889	13721	26468	8071	13610	20232	8907	39630	28929	12768	45044	21880	23956	4267	6805	4868	10714	7918	7184	14247	11713	1190	11155	34821	26295	19561	9463	6193	5762	24757	19740	25125	26191	30047	43791	19380	14258	49746	22074	23000	1461	20001	17732	16948	30067	26409	21518	10680	9019	3756	27045	18386	1248	15361	64247	Phytochemical	0.46153846	0.84615386	0.07692308
16	C11 H11 O2 N5 S1	278.07062	278.07095	0.16180892	278.07068	2867	1547	2149	2142	1307	10516	3844	0	1485	0	0	2605	2061	1376	1605	2962	12598	25287	18213	0	0	0	1887	0	3278	0	5381	0	2375	0	3453	0	3694	5421	0	0	4056	2231	9312	0	0	8881	0	0	0	0	0	0	8867	0	3163	2902	2949	0	0	0	2344	4342	0	0	0	0	0	2626	4504	5223	16972	17529	0	0	0	0	0	0	2887	0	0	0	2889	0	3846	0	0	0	1732	6950	2416	31784	22892	0	0	0	0	0	0	0	3184	3841	3640	0	0	10502	1314	0	0	0	0	0	4285	2691	Peptide	0.18181819	1.0	0.45454547
10	C12 H11 O5 N3	278.07715	278.07758	0.21546637	278.0772	8547	5048	7523	7389	10291	6684	3490	5648	10941	7741	6056	4096	12798	2798	4799	10068	9167	14171	13378	4770	8957	17608	7648	7223	3186	1286	3938	0	4120	4621	4884	4445	13534	4997	9361	3517	8746	7049	12185	11917	21669	7816	0	0	0	5494	4234	0	6727	3205	7574	9041	8806	0	8222	5508	5725	8834	6395	7986	0	6450	12728	11168	4838	9896	6615	13112	0	2976	5321	3533	2395	1850	6059	4400	0	5235	7679	0	6573	3214	3051	3071	9575	5508	12258	10908	8940	23371	6084	8124	17681	10055	9651	0	8454	10816	4669	5623	6875	7279	5625	4165	0	9244	5424	0	6801	14251	Peptide	0.41666666	0.9166667	0.25
20	C14 H15 O3 N1 S1	278.08453	278.08484	0.089242354	278.08456	0	1848	0	0	2081	1489	0	0	0	5323	5839	0	0	0	0	0	0	0	0	3676	7619	3571	0	0	0	5018	0	3349	0	0	0	0	0	1704	3225	0	1777	0	1500	5353	20132	1117	0	0	0	1865	7662	0	0	0	0	0	0	0	0	0	903	0	1241	3288	0	4769	0	0	0	0	0	1273	4980	3271	6388	0	0	0	0	0	0	0	1447	7205	0	3143	1726	8551	0	0	0	2278	1269	1846	6209	3960	0	11819	7056	0	1992	0	0	0	0	2504	0	2997	2281	0	0	0	1208	0	Organosulfur	0.21428572	1.0714285	0.071428575
10	C10 H15 O8 N1	278.08704	278.0875	0.21482763	278.0871	3013	3447	3251	3633	8692	7036	0	2417	10547	0	1719	1522	21757	6066	1617	1437	2881	19104	15252	0	0	0	3771	2198	1417	0	0	0	2232	1860	1605	2478	3535	2060	0	2816	2559	2390	2019	0	0	8776	641	0	446	0	0	0	1823	2757	2331	2087	8336	0	12550	10408	4555	1618	0	0	0	0	17498	12598	3363	10945	5695	2521	0	0	0	1511	2440	1452	2425	1372	0	1661	0	0	1728	0	0	0	9484	4670	2013	6842	7486	1916	0	0	0	1191	0	0	2280	3058	6653	8120	9595	4407	2262	0	0	2300	6832	0	0	23185	A-Sugar	0.8	1.5	0.1
8	C10 H15 O8 N1	278.08704	278.08752	0.19455013	278.0871	3646	3182	2596	2956	11923	7109	1180	2049	11003	0	1486	2804	24220	6409	1474	2980	2608	14033	18543	1921	940	1178	4507	1439	788	0	0	0	2625	2540	2632	2795	4101	3133	1626	2181	3926	1727	3244	0	0	8869	0	0	321	0	0	0	1953	2610	2842	6053	8053	544	11268	10306	4838	4120	0	0	0	0	21793	13320	3647	14238	9168	3828	0	0	0	2685	3456	2264	3931	2595	0	3028	1895	0	1651	0	0	0	11367	4088	1796	6703	8024	2189	0	0	3255	0	0	0	3778	5496	8128	12953	12232	5811	2116	0	0	2069	12765	0	1070	23403	A-Sugar	0.8	1.5	0.1
6	C10 H15 O8 N1	278.08704	278.08752	0.26020283	278.08713	4963	5642	4483	4072	10536	6497	2948	4624	6651	0	0	6153	20297	5984	4538	9749	14649	16101	12565	0	873	1945	6642	3918	1592	0	2240	0	3765	6196	5880	5774	6840	4902	968	5631	6273	2707	10193	0	0	8139	0	0	0	0	0	0	7110	5283	4446	4760	7719	445	7209	8983	3546	7091	0	0	6410	0	16380	7634	3023	13032	6289	11035	0	0	0	6109	3874	3584	7553	3476	0	3861	2612	0	1271	0	0	0	9951	3688	3517	7823	9056	7823	0	1529	5179	0	0	0	3379	5980	4439	6575	11050	7921	5080	0	0	5407	6986	0	1280	18547	A-Sugar	0.8	1.5	0.1
18	C14 H15 O5 N1	278.1023	278.10266	0.16392039	278.10236	74087	76769	75134	73808	72314	62752	50132	67717	55271	79135	61472	48597	73583	44352	44554	84641	76923	106828	102825	43023	75813	122763	63323	88757	51147	31106	50815	59169	64652	49799	66010	74655	116147	72022	88307	61016	106175	46967	89137	93132	133318	60864	6277	4387	4915	52027	60210	5738	88582	49884	86811	73252	70407	4304	63658	38082	38399	103459	34844	50804	80799	65205	62114	47987	32616	81951	66861	94498	43210	50083	75692	58479	46503	45216	57672	58203	4064	43862	62871	98731	52730	44214	42837	49708	62940	43817	74494	80931	75610	114759	92226	92234	111785	94784	107472	6286	80604	72443	35922	48472	43543	102812	35167	69182	26891	84405	40200	4308	57617	94755	Phytochemical	0.35714287	1.0714285	0.071428575
20	C14 H15 O5 N1	278.1023	278.10266	0.15255155	278.10236	36855	37206	33849	30176	25988	26174	33061	44013	19282	38875	28669	35720	21438	18678	28755	68760	61940	40382	30759	10094	29557	45227	27955	35409	22451	7730	31494	167679	59430	50375	50930	47285	63862	57201	33433	44853	62059	24339	64474	36588	39367	33445	4799	5992	4704	23021	18215	6476	62969	33819	37826	38460	28868	4967	22418	15104	16272	62914	17118	22876	67866	23133	36864	23686	16060	29719	29192	71792	11144	10169	20928	47020	57602	33667	67105	44970	4146	33406	34471	48659	20399	15036	18344	20446	37133	22213	34783	40907	35413	52431	34317	28959	47878	40571	36982	6710	34430	34452	14816	15923	14812	65891	37632	22346	10130	48080	19657	5587	45237	33684	Phytochemical	0.35714287	1.0714285	0.071428575
12	C11 H19 O5 N1 S1	278.10568	278.10602	0.04219418	278.10568	307476	356686	344583	322997	252757	175493	189767	237902	225913	531296	354083	149163	230495	101596	167559	350205	303904	352673	369388	478364	570559	623969	203457	315810	167273	346621	182452	262739	226927	208222	208697	255970	348592	245636	612025	215093	337509	158189	371890	522392	733129	207635	7024	4162	3965	285217	330768	4478	303052	217419	341132	332052	232250	4866	294990	152677	140625	346102	207353	258830	310240	351760	297958	253195	97420	291445	196546	304294	404790	520600	709902	200752	207999	174993	237479	225915	3085	162787	211479	305178	192157	233097	205064	298279	169595	139679	248977	245848	226362	461233	376877	417051	463949	435643	606576	6226	350678	345244	170601	178837	180686	349741	154449	293386	144268	310021	181992	4181	182638	384691	Organosulfur	0.45454547	1.7272727	0.09090909
8	C13 H15 O4 N3	278.11353	278.114	0.12629597	278.11356	84220	135094	72944	93160	49838	61506	60444	97998	48030	65790	77336	62802	47056	26838	72470	173410	105256	64576	86698	113580	67842	177456	87092	154524	78748	68599	62080	68179	99097	69178	72404	137026	104284	92044	99778	83910	132008	74854	147754	118485	120738	59262	986	0	0	81502	66692	0	95164	76092	117860	90466	79413	0	107344	27434	42076	173722	55122	76456	161666	82197	59042	94076	38244	93245	56316	145754	32566	62482	126951	77676	67652	72962	71610	76704	0	52156	114192	77390	78902	44690	60534	55480	43216	35416	148403	94462	71310	300469	98716	111852	242008	74392	90438	0	121089	127139	35718	29656	31608	116408	62520	128668	47788	120318	31238	0	97876	68108	Peptide	0.30769232	1.1538461	0.23076923
10	C13 H15 O4 N3	278.11353	278.11395	0.09424694	278.11356	30410	28316	30331	30332	22703	20008	21254	26208	18185	21740	15703	18529	16354	9603	21373	42559	35791	26469	30028	22737	24826	51819	24694	40365	24360	10388	26649	17459	24869	18164	19718	22963	36088	22837	26857	18621	32772	19278	44178	33083	40941	19046	692	0	0	20669	25415	0	30015	21784	29436	31351	0	0	23214	9712	10725	37915	22297	32009	34762	24248	17280	16205	12438	24449	17533	43552	14149	19939	23728	23789	21525	13350	23628	17271	0	15353	29545	26369	25484	19873	23172	16364	13808	11821	37502	26780	21713	83561	39492	47977	77845	27667	36080	0	33386	29902	13036	11601	11477	29344	18140	26859	0	33252	13955	0	29136	22819	Peptide	0.30769232	1.1538461	0.23076923
6	C13 H15 O4 N3	278.11353	278.114	0.15931258	278.1136	45289	44681	41060	46073	28630	24116	31207	46125	29269	43267	29518	27955	29751	14067	37200	57925	52073	40917	44564	41610	47485	68343	37794	63843	34448	17292	29580	26786	36408	34730	37172	39297	54056	39434	49808	35874	43943	34404	68037	43927	60453	26976	0	0	0	39219	45444	0	51483	39247	47368	43163	31350	0	37585	16289	18916	57195	29439	49714	56138	30656	36830	25704	17128	33164	31116	63485	21619	36629	42650	41382	32171	26871	25147	30304	0	26129	40561	29041	33608	21856	32089	28004	27194	24326	48132	37887	30867	110558	38325	47009	115320	38780	49991	0	41896	37999	17683	19236	19918	49641	28403	44308	24140	61366	24929	0	41349	45374	Peptide	0.30769232	1.1538461	0.23076923
4	C11 H19 O7 N1	278.12344	278.12393	0.14413404	278.12347	17904	21243	24150	23538	30465	26826	13755	25275	35223	6414	9834	16623	57642	20283	23355	22041	43017	52209	43443	13482	13251	16623	20940	31051	15753	2250	15579	0	25875	25566	21783	19773	30118	26406	10503	29487	30438	18728	43155	0	4785	31938	3936	828	0	12366	8769	0	24117	24171	27987	19533	30519	2004	44013	46527	23283	24045	15495	9996	28638	0	47928	36111	23316	43971	24009	28752	3873	0	0	22776	25329	33155	11352	17610	0	18212	18693	0	14658	8121	11277	4269	47874	30858	20033	30411	26730	29074	19005	17949	31798	6063	8496	1713	19869	32421	28299	51606	66876	32607	15081	16248	0	26061	48014	1026	15844	65655	A-Sugar	0.6363636	1.7272727	0.09090909
12	C11 H19 O7 N1	278.12344	278.1238	0.09550755	278.12344	13197	11871	18606	17465	44296	31667	28786	19279	49311	4682	9280	11877	60268	23466	15126	8657	75656	72236	63909	5666	11164	0	17261	0	11408	0	27756	0	26768	11440	11987	14120	73401	16830	9000	22635	61468	10870	94384	0	0	26809	1286	604	939	3869	0	704	7590	7952	20316	16761	44471	1086	58183	36209	19395	14931	6588	0	0	0	48412	38567	15218	57416	27798	62098	0	1576	2808	10032	15880	13345	8932	11046	368	13720	8830	0	6881	2101	6607	1541	46514	28212	11208	34749	29535	7542	2546	9593	12062	3895	1365	541	18786	19020	30438	33183	42771	66777	11132	0	0	25480	55532	660	9180	63985	A-Sugar	0.6363636	1.7272727	0.09090909
2	C11 H19 O7 N1	278.12344	278.12396	0.22801083	278.1235	10238	9135	6876	7871	10745	0	5389	11010	11624	3824	3149	7314	25151	15864	9118	4317	10517	25433	17517	3539	5170	9543	6479	11312	5064	0	0	3148	15891	9649	14343	12805	21223	15125	5669	11039	15750	6030	14143	2993	991	11635	346	0	0	4035	3276	0	12894	6290	7995	11005	14112	0	14880	6355	4138	15229	3340	3239	5117	836	18731	10250	6504	23075	17032	12150	0	1222	0	17774	16480	14369	2392	9359	0	5697	5366	2641	3695	1586	1774	661	9336	5226	6279	16962	14093	9018	14114	14793	12461	2249	1127	0	9114	8711	7682	7808	11600	13157	6405	5931	1558	12226	8620	0	4250	38803	A-Sugar	0.6363636	1.7272727	0.09090909
10	C11 H19 O7 N1	278.12344	278.1238	0.076869145	278.12344	20747	18681	19470	16757	36647	27697	10257	24823	39204	8838	10626	11979	76232	28282	15377	20281	22331	61229	53510	13541	11854	4975	14523	16730	6936	0	8708	9658	25128	28698	15847	20478	28474	17467	8765	25717	26370	13510	19739	3145	4658	30441	2664	0	1049	5423	6371	815	19547	24058	21162	21893	33109	1566	62323	39687	14506	24439	5850	8354	23595	2866	41923	36177	20500	46235	28116	16487	0	2018	2458	21410	20395	30853	21329	25015	0	12707	9555	6289	6998	4625	8037	6119	50981	26959	12236	22475	25883	7492	5446	8133	11778	5326	6496	907	19934	25370	28474	45385	59310	34369	10819	11341	0	15666	43287	972	6507	59190	A-Sugar	0.6363636	1.7272727	0.09090909
0	C11 H19 O7 N1	278.12344	278.12396	0.019802822	278.12344	5574	4054	4310	5106	7241	8996	0	9045	4861	2009	0	2721	12628	4565	0	0	0	17617	10048	0	3625	3614	3088	4273	0	0	0	1014	12548	3648	9231	11386	24054	17230	3967	8546	13918	1765	0	1408	0	11614	0	0	0	1897	0	0	10172	3927	4865	3905	7156	0	7190	2409	0	11033	1431	0	3021	0	13821	6332	2647	10075	13271	0	0	0	0	16881	14404	5592	0	8610	0	3315	0	0	1653	0	0	0	1617	0	0	13232	10747	0	4593	4533	5136	0	0	0	5110	2735	1307	1435	1615	6027	0	2427	0	9757	1949	0	0	31035	A-Sugar	0.6363636	1.7272727	0.09090909
8	C11 H19 O7 N1	278.12344	278.12387	0.12670603	278.12347	17353	17818	16077	17731	34599	24896	13275	20311	44256	7467	9205	14964	71672	22868	17950	19055	32727	58610	58130	11737	13420	7994	17842	12958	8000	2264	12220	4132	29289	22061	17692	20286	26406	24577	8943	23602	28604	12469	22575	3438	5343	34245	2450	396	467	7660	7257	0	18844	19314	21541	20884	28949	841	65614	41063	17621	18326	7406	11174	20111	3837	52317	42362	21096	41977	27872	21159	0	2702	4307	18982	20718	25116	20265	18514	307	14328	11942	6260	7565	5431	10538	6725	50284	23500	13004	23224	30392	9196	0	12509	16319	4625	3458	841	20348	24604	26735	59039	65314	34003	15182	13919	0	12455	47608	458	8241	61557	A-Sugar	0.6363636	1.7272727	0.09090909
20	C15 H19 O4 N1	278.13867	278.13904	0.12852731	278.13873	45013	46951	40925	39999	48713	35008	35019	44984	33483	43475	34460	29534	38966	31296	30685	47978	44469	56775	49554	55284	59663	59000	33077	55561	32925	30132	26014	39851	43786	41614	40253	45962	65708	48592	50441	36822	67738	23671	42084	47712	74554	45031	5533	4357	3347	36810	38728	4065	53065	34032	42765	52259	40237	3871	29100	27170	24893	59050	31777	42420	45941	27040	34342	29456	19851	47790	40830	45772	33212	39966	52897	38646	38174	39221	40047	41321	3478	28915	37565	61504	26047	24650	33979	36623	32251	23884	43798	42358	38838	57044	69366	72336	80611	58165	46534	5071	39970	48178	31443	34533	36172	63908	29357	55752	23812	50113	36325	4752	36725	49671	Phytochemical	0.26666668	1.2666667	0.06666667
14	C15 H19 O4 N1	278.13867	278.13907	0.1156551	278.1387	725962	738604	686572	750534	379736	294526	478258	510574	288376	1352876	802490	396948	336430	195126	338408	690080	663029	454491	490458	1421340	1577346	1220500	324836	588134	348960	1153056	488478	671668	434762	489112	454382	682312	729799	593170	1357682	525828	721860	313956	764016	1570854	1629206	347902	11484	5390	5798	573934	700614	7850	716564	437334	709238	675246	394003	5964	370820	220750	260048	769924	409554	667816	529286	759044	328802	328222	187098	457290	348223	798446	851260	1494622	1858710	503310	499666	399888	553268	522584	4828	361812	388120	658136	304938	429430	617652	1032332	249248	199868	460289	470472	466420	1050842	969442	989530	879996	794058	1278914	9164	742630	632698	217082	199366	251478	672112	379682	767694	349862	670044	469611	6512	474037	363728	Phytochemical	0.26666668	1.2666667	0.06666667
22	C15 H19 O4 N1	278.13867	278.13904	0.17500596	278.13873	15603	13040	12368	18137	19991	10402	11789	14299	9809	11826	12949	11312	7478	8280	14825	19382	35697	15480	15174	9297	12111	16811	14365	18657	12550	6051	16472	16050	19068	12787	9485	16727	17206	18693	6072	16294	24063	13565	47746	6636	19141	15150	3597	0	3360	11124	17973	0	20369	15568	12918	12630	14177	2890	7627	8953	14912	19909	11994	25945	21883	8951	11385	8054	9866	11191	17840	41688	5193	7063	6616	16312	11645	10104	27758	18091	2723	7829	25749	18208	24414	8061	12305	7939	72792	13436	22117	16759	13308	43900	21325	17190	19943	11644	13638	5393	19442	13797	21235	9248	10470	22918	10851	15270	10386	19199	34992	2943	21397	11410	Phytochemical	0.26666668	1.2666667	0.06666667
8	C15 H19 O4 N1	278.13867	278.13913	0.11165481	278.1387	320718	332607	278371	331880	200918	150759	173838	290200	173333	479831	248582	152444	222184	95687	196371	349197	261405	250058	341455	595541	663436	452555	192189	324606	187015	465600	194555	215525	291934	248287	239582	338482	407107	290354	642500	270883	413461	172675	318309	481475	533261	180253	4512	1983	2407	282341	297704	2128	372713	238049	298059	304162	197018	2653	283760	98235	98418	333297	106302	203003	312017	252764	187787	213121	89175	234448	197803	307951	415425	623304	704707	278124	269479	218383	216871	288592	2112	171454	234595	191641	159901	164064	170353	311593	121071	95159	301715	193107	210585	440708	287915	341126	546023	246587	393143	3230	322632	301047	117339	115932	110169	363665	176815	334998	99690	294531	122427	2021	197804	250532	Phytochemical	0.26666668	1.2666667	0.06666667
0	C15 H19 O4 N1	278.13867	278.13922	-0.010543512	278.13867	32438	35404	33646	32471	15793	8694	33865	53031	19820	34947	25941	35440	14120	10692	35184	20399	65640	33544	30660	32427	71634	43792	37799	31781	13957	40132	21658	26363	48772	18292	40882	34545	62438	44754	58347	44470	46936	38907	74391	30056	47447	26025	2959	1856	2480	18290	24120	1583	43264	32669	28354	32435	24644	2151	27629	12367	15799	46724	22237	38735	30166	26927	17134	22942	26206	19638	35043	70016	32545	32577	36991	41132	49238	36728	22947	42953	2150	28294	37908	21403	27451	15507	30924	25224	16567	20251	34852	27589	35327	56299	24973	28311	64760	36086	21958	2832	31857	38097	12878	10638	14684	35930	21679	37455	18999	49868	16865	1795	28445	26577	Phytochemical	0.26666668	1.2666667	0.06666667
16	C15 H19 O4 N1	278.13867	278.13907	0.14084083	278.13873	215342	231731	221127	235143	148014	115835	158489	190714	110146	343828	215013	123506	113455	84286	140928	248551	268495	179012	202507	399683	415964	366815	129925	242274	139599	317428	143166	211121	179050	166956	176706	252815	263847	186087	351994	203215	267373	118929	287676	376858	480834	137356	6226	3767	4398	174054	193807	3787	238092	176010	237433	213180	141696	3612	120626	84883	87984	257483	132085	205536	224270	225771	124411	108778	64356	163656	152381	268254	305824	416781	481309	168987	175471	182934	228132	202379	2643	116806	158206	238797	109759	150631	161839	260656	108397	87412	198727	158600	152219	386279	265325	301307	334050	248942	386537	4871	216947	212360	85937	113598	121054	259273	119992	184857	92114	226848	110504	2975	159241	160024	Phytochemical	0.26666668	1.2666667	0.06666667
12	C15 H19 O4 N1	278.13867	278.1391	0.09478884	278.1387	324701	391586	351051	357802	147541	122032	214583	231475	134198	645929	328107	163655	118066	72519	147653	372979	320522	198043	247794	785880	770633	544900	160275	340554	162829	549908	218861	268235	243522	263309	235438	319524	320505	279680	686116	273171	361947	148481	381325	639424	783477	158330	6024	2875	3240	299218	361282	3419	356235	255754	375651	388286	149259	3563	180910	86079	96428	349375	166371	281198	327928	342157	154180	133278	75049	156532	143894	353689	468778	775837	878885	238713	253345	250363	361278	307378	2060	162281	170602	248203	155479	239098	232039	361836	109196	100567	197645	171717	169397	399267	434801	436044	426410	319405	637995	4142	371157	362881	106763	94810	90379	385173	177122	364808	168360	274412	112224	2842	179742	198716	Phytochemical	0.26666668	1.2666667	0.06666667
10	C15 H19 O4 N1	278.13867	278.1391	0.09066122	278.1387	278554	236112	236420	225542	145563	122421	148956	261188	128980	387825	214004	148393	155018	73998	160734	304601	246487	203067	240699	476564	549463	365596	162642	293419	154422	480018	173907	185695	223734	211502	196794	236468	306745	222964	425512	219224	297745	142133	307095	434741	519070	136085	7144	3093	3295	235162	272999	3708	277098	201603	260220	267157	141475	3677	184413	78248	77396	286500	130423	244176	288684	232975	126695	145238	70882	162030	139312	300342	416104	556004	657642	209469	206217	192027	227963	219900	2873	138292	188787	184362	157601	160819	176431	238198	114760	82260	187054	143876	153679	344690	232629	251122	385256	263597	440261	4184	247441	254395	90832	89871	97053	276423	137992	300225	119662	231446	100124	3433	165512	184671	Phytochemical	0.26666668	1.2666667	0.06666667
18	C15 H19 O4 N1	278.13867	278.13904	0.14996451	278.13873	126549	116352	115818	105619	95260	77962	85184	108259	58400	141299	120707	78739	86982	50349	78026	140277	126355	106638	101346	168545	175806	162612	71731	122597	74441	109349	80259	104597	101378	105968	88401	127547	149213	122269	138167	118218	172096	72528	136984	164973	198536	81942	8116	3011	3269	86932	97325	3762	128226	96726	116511	111568	94344	3531	69509	45508	47667	127513	67861	101244	129285	113355	68558	61664	44604	93254	90899	137328	100266	142717	189922	107672	82664	103376	99513	106952	2934	62742	84716	121048	55660	74280	79077	105759	71468	58993	97560	103055	89382	154987	164956	179636	173553	121914	174106	4254	103292	110714	55741	54274	56043	145530	66485	122468	54944	125332	68458	3471	75788	84203	Phytochemical	0.26666668	1.2666667	0.06666667
6	C15 H19 O4 N1	278.13867	278.13916	0.08398158	278.1387	432161	469360	422524	460714	258446	221326	279447	436661	264752	822456	384611	249802	304158	139091	244924	485538	396091	426797	498489	830182	977512	519335	266237	424610	216829	553662	308584	314141	464400	411429	397184	510195	708037	489487	937648	464257	649999	234238	559041	457880	646155	273214	6242	2014	2160	364525	427663	1796	582323	347963	465006	466608	290569	2569	402019	127774	133436	484570	121696	291009	462513	319590	298610	259877	100210	326006	326868	592633	516645	835231	995327	407473	426713	385672	388491	405632	1871	233024	226727	216771	203250	202913	192591	374466	149817	149321	282943	286180	325865	468784	364450	788012	561475	652154	535613	2676	452371	398170	137851	135353	155186	626401	252498	472689	177978	426898	160578	1946	218907	402234	Phytochemical	0.26666668	1.2666667	0.06666667
26	C12 H23 O4 N1 S1	278.14206	278.142	0.13056216	278.1421	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17311	0	0	0	0	0	0	0	0	0	0	2662	0	0	0	0	0	2315	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2241	0	0	0	0	0	0	0	0	76241	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.33333334	1.9166666	0.083333336
12	C14 H19 O3 N3	278.14993	278.1503	-0.002533781	278.1499	10064	7613	10308	9750	4653	4165	8827	13842	3655	2954	5413	8549	2120	2003	7606	17649	13379	3430	6014	5850	4824	14839	10084	18624	10497	3787	11025	0	11064	10959	10316	12541	13070	11251	12109	8373	11380	9482	21495	7305	7385	4655	0	0	0	7681	9267	0	9309	11162	9432	8339	4208	0	3804	2330	5348	20611	7009	9710	0	3368	2937	5145	3063	6999	6075	23484	0	7121	3188	11280	9939	9014	14727	12562	0	9629	8949	0	10553	4900	9075	7199	2856	2860	12491	6832	6460	33108	10008	8343	27237	5423	9297	0	9152	7402	3566	1212	980	10798	9227	8677	0	15813	5582	0	11469	4507	Peptide	0.21428572	1.3571428	0.21428572
14	C14 H19 O3 N3	278.14993	278.15024	-0.056863688	278.1499	6546	6375	5295	6304	6260	2199	7001	8265	4294	3464	2209	6950	2483	1566	6271	8645	10976	3519	2768	3490	2965	8473	5035	13952	6452	2101	7118	0	6344	8336	5871	8176	14088	8209	2006	6797	9537	3927	18430	3609	3863	2622	0	0	0	4143	7125	0	9093	9751	4213	7943	7220	0	2082	987	3121	10019	0	5271	0	1524	2042	2042	2234	4204	5398	19620	0	2342	1723	7875	6716	6178	12246	7849	0	5480	7539	0	6452	3639	4536	3545	3128	0	8039	3999	3077	28745	6355	6381	23278	0	6423	0	7728	4096	2798	1382	1455	6968	6170	4124	0	12518	5561	0	9419	6416	Peptide	0.21428572	1.3571428	0.21428572
6	C14 H19 O3 N3	278.14993	278.15036	0.019095162	278.14993	34608	41394	34575	37061	9640	10711	28209	47309	8961	46328	25237	25139	6398	6148	26506	60096	42180	16063	23431	54123	57970	59455	33312	64238	34902	24641	28861	17624	39393	34442	41446	42128	49241	37103	52651	34518	42626	27194	55610	40377	63235	15397	0	0	0	45958	50038	0	48552	38598	38584	36130	16981	0	12746	3717	12011	46064	18040	41106	48270	31442	9189	11512	9203	10887	18662	54249	22049	32358	38199	38907	36705	34175	32159	32692	0	23228	28668	21398	31102	23653	29729	37769	7015	11307	36112	24021	18770	89843	44653	30049	83697	33590	51232	0	37308	33816	5507	3321	4652	46909	24440	48872	24917	50021	7697	0	34632	10059	Peptide	0.21428572	1.3571428	0.21428572
8	C14 H19 O3 N3	278.14993	278.15036	0.081554316	278.14993	24280	29549	22882	22263	5410	5917	19188	32653	5837	24139	16276	17521	4322	3582	18177	35554	30919	7246	13177	26472	30259	33445	18298	40844	20914	13309	22837	14955	26504	23683	24200	24130	23135	24843	29175	22100	27819	15618	38553	31984	39142	11501	0	0	0	26832	38066	0	29638	27150	19680	24774	9154	0	7305	1506	9121	30036	16919	27499	33021	21728	4866	6728	7369	6564	10743	39747	11779	19076	21611	26920	24162	21322	25032	24318	0	17262	26719	16349	19367	17186	23121	25000	4693	6230	20293	12501	15542	61041	21339	24528	55749	21615	37612	0	25906	26754	4511	3200	2472	30241	16356	32560	8882	28730	4363	0	25404	5293	Peptide	0.21428572	1.3571428	0.21428572
0	C11 H23 O3 N3 S1	278.1533	278.15387	-0.034714617	278.1533	0	0	0	0	0	0	0	0	0	0	1162	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10640	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36133	0	0	0	0	0	0	0	0	0	0	6184	2213	0	1817	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	2.090909	0.27272728
8	C12 H23 O6 N1	278.15982	278.16022	0.05421298	278.15982	5745	5056	5748	6092	6891	8232	13135	6415	5634	0	2250	3466	9563	7071	6346	10461	8368	14805	9547	1979	1534	1583	4261	5967	5198	1783	6208	2178	10353	10562	5468	7628	6072	5079	1324	6932	8651	4668	6262	0	2813	8397	989	0	0	3643	2721	0	4166	7384	3523	3820	4723	0	7820	4806	3852	13269	1738	1971	10281	0	7396	3726	22673	10726	7005	5667	0	1194	0	4844	6494	9236	4623	7391	0	3227	4099	0	2223	1693	20418	11944	9119	6518	5544	3794	5123	4385	0	0	5014	0	1841	0	4906	6685	4414	6804	10205	8429	3962	3547	0	4903	8728	0	3524	8463	Lipid	0.5	1.9166666	0.083333336
2	C12 H23 O6 N1	278.15982	278.16028	0.016539222	278.15982	31188	35664	30261	26859	34152	0	20763	40875	23406	13136	9558	19842	51276	22425	24330	26382	27497	48723	40785	12672	9705	28050	23418	37602	16062	0	14622	15615	51267	34716	46032	38292	66129	44898	15915	44901	58668	16530	27141	7904	4209	22101	0	0	0	12609	6256	0	49434	33486	29838	34944	30372	0	32013	14268	12564	48642	7779	3147	28176	1872	30132	22923	10479	45285	39024	32280	0	5235	1049	52071	47424	48477	22686	38628	0	25518	15897	39237	11748	4338	2910	2466	15711	17511	13047	26457	34323	25836	0	27495	51627	20322	12096	0	28626	32976	14889	17781	15552	41454	20034	13548	5223	35250	18657	0	11577	64986	Lipid	0.5	1.9166666	0.083333336
10	C12 H23 O6 N1	278.15982	278.16025	0.11645681	278.15985	4606	4506	5971	4867	8780	9212	18203	9377	4319	2605	2720	3407	11143	31258	4358	4324	5071	15970	11906	2813	0	0	2850	5877	2843	2999	6914	5054	8074	7568	6670	7919	4402	5050	0	8222	7772	4442	3762	0	967	5470	3000	0	0	2323	3248	0	5868	6551	4729	5143	8142	565	7110	6672	4108	4060	2590	4795	0	0	10460	3502	38546	8996	9712	5472	9618	0	2449	7415	6944	8077	3077	3855	0	4204	3593	0	1891	2477	29466	13510	11397	7363	5186	5877	5005	0	3924	2333	4782	1275	0	873	4915	6215	3560	4821	7413	8652	2997	0	21928	5197	8156	0	3639	9250	Lipid	0.5	1.9166666	0.083333336
4	C16 H23 O3 N1	278.17508	278.17557	0.04069125	278.17508	210709	225377	211183	220250	56574	77205	161724	310822	35410	296731	115077	141675	43822	62050	142286	323545	215703	87061	117293	321455	314593	254561	121818	390755	167267	159961	182103	127142	299661	215309	262922	327386	358936	299944	366941	306263	332163	131570	254516	237020	174594	81536	1223	400	391	146907	123962	642	373995	264468	219282	178498	78820	487	60949	25520	44976	348168	5245	13478	323942	121153	38368	47760	37097	102952	98294	288138	113020	230749	239300	267367	276783	294197	294502	246699	0	168641	146937	98342	128387	25257	42955	169784	23694	40272	158194	101781	120051	385383	251250	109895	401032	141752	281364	927	197780	222609	32114	17854	21420	288359	140812	244970	52089	250443	31052	593	157174	46193	Lipid	0.1875	1.4375	0.0625
8	C16 H23 O3 N1	278.17508	278.1755	0.11715084	278.1751	67607	84307	76348	76146	24584	23955	37782	93416	19019	102952	56279	75491	28550	41250	230968	192042	131986	21837	41370	117443	124792	58602	29040	64263	40526	77617	43192	40080	87767	60768	154109	72404	62986	66336	127055	64548	71626	229846	126129	77562	62222	23098	542	490	426	47157	39750	394	237367	77844	74492	72386	22500	567	19870	10528	16382	148830	2164	19217	162827	31508	30415	15813	16417	32026	32911	398856	64126	119188	175796	76650	67945	71268	74964	67951	312	72233	36278	39114	41468	9449	9572	56466	13117	11368	35550	29412	34783	80120	88350	30490	92903	49526	86628	658	68225	66807	13195	14945	14629	57482	76775	43546	14156	67898	12563	402	39628	27649	Lipid	0.1875	1.4375	0.0625
6	C16 H23 O3 N1	278.17508	278.1755	0.05805595	278.17508	158925	161739	152193	161520	96104	56963	70540	225780	35617	194474	90586	214589	53868	46008	1182980	308856	87852	66910	85491	209941	205932	140354	133225	233984	98106	125346	65414	72306	177331	151246	729758	148042	154619	132871	245678	119955	151948	987353	120353	123203	91499	46781	896	487	0	99508	77383	398	310207	137521	164116	170957	72476	433	42931	42851	27328	300560	3335	21054	290484	66278	43278	31823	29514	67228	64732	136665	95442	199625	188812	189325	118448	119206	92115	118640	286	295257	57806	61175	67550	14236	17716	109702	19399	24067	75289	55924	64519	203699	185191	57920	283106	85101	168401	331	157275	138080	27228	22388	29360	140770	292453	92242	29671	152773	43735	386	61704	56096	Lipid	0.1875	1.4375	0.0625
16	C16 H23 O3 N1	278.17508	278.17545	0.12575573	278.1751	36239	38125	42861	32942	25584	18958	29375	27036	12749	55039	39513	23357	11113	10990	17903	51533	61404	14838	22967	76887	81542	51308	22601	35922	22407	91205	30400	38009	27151	27861	27528	32872	33631	31132	48693	37241	31950	21249	63586	55063	103742	17037	820	574	619	37422	66932	708	42996	30400	40380	36978	22341	542	9783	7324	13302	43822	17587	51051	36262	35004	10744	11368	9676	18991	21740	57762	75533	81537	111820	25762	28513	29272	45314	29073	489	17070	28733	47887	22654	34279	29566	45478	11513	10863	37751	24583	19948	106742	58255	55403	55318	46338	76593	935	36413	37428	15733	7957	13508	33019	20907	39157	18010	35629	19080	490	30168	11438	Lipid	0.1875	1.4375	0.0625
10	C16 H23 O3 N1	278.17508	278.17548	0.10026344	278.1751	41453	35317	38286	30198	18236	17467	34230	45165	11194	61906	33362	27421	15254	13104	23151	52669	39173	20574	26296	76649	91154	42969	22058	41715	21635	58184	49901	32644	40050	34803	35626	41383	47716	39030	77355	34466	46321	24172	48375	50488	54895	14760	749	480	338	27335	36798	0	51184	34614	38764	41659	20499	522	13143	7669	8318	55586	3599	19386	47373	22220	12910	11696	11924	24624	18657	52443	45666	73600	82776	33906	35357	27557	43760	32560	0	25901	26818	23826	20947	7794	8428	30925	11709	10434	32902	22266	21106	83436	58901	17684	62954	35759	58554	587	40508	36507	7305	7003	11052	44344	26305	31411	0	38187	7131	0	26930	19861	Lipid	0.1875	1.4375	0.0625
18	C16 H23 O3 N1	278.17508	278.1754	0.13041855	278.1751	52107	47859	41115	39139	57686	37323	33147	48409	19121	56760	45756	29019	17217	22453	22797	62055	62480	20460	36921	80380	74542	61144	23308	51722	26289	90192	32123	40903	45137	40505	36540	45026	46744	46737	54956	49918	44621	22051	62123	62224	100082	20469	1513	750	515	46216	64866	816	52859	37523	51958	51034	39675	1146	25343	17061	16755	50090	21825	66816	55125	41314	17664	17884	14061	28490	26962	78992	67340	70566	106430	36236	34664	43454	73192	40606	454	23129	35235	56494	22682	37488	34034	53805	17142	16333	45870	31214	28012	123517	80808	75068	69169	51971	65733	819	46125	45535	22859	22822	21858	50940	28079	55798	27526	39559	44661	422	31776	21171	Lipid	0.1875	1.4375	0.0625
12	C16 H23 O3 N1	278.17508	278.17548	0.11016305	278.1751	29185	36595	34165	31725	13174	13982	34379	36798	10511	43306	32919	20730	7090	8100	16152	59015	34309	17651	22913	54822	59951	41665	16314	43689	20264	55788	48437	19621	24761	26683	24580	38048	33173	27002	51485	29083	36701	19425	50986	42134	43272	14725	751	0	421	26156	36910	0	44635	33664	33655	32318	9794	667	15225	6110	8885	47117	4735	14875	37205	15533	14012	10855	7651	21347	16397	44388	31137	57928	73617	30439	25627	27225	37800	27604	369	19201	20827	18742	14484	11053	11490	32111	9453	7560	27280	16460	13908	56309	56060	28744	55396	22446	45985	618	28372	32562	6551	9538	9288	32718	19283	23611	0	34079	10137	334	24360	17365	Lipid	0.1875	1.4375	0.0625
14	C16 H23 O3 N1	278.17508	278.17545	0.102891855	278.1751	36701	37501	36535	42634	21514	19223	33139	26486	14910	42871	29748	21642	12129	15214	11805	47660	47567	17801	28326	70593	66077	52148	16759	41447	18378	71438	34068	26784	19479	28183	27997	34243	33404	28491	50029	23448	32776	19187	47997	58002	82048	17111	0	525	462	35629	51759	360	35321	21552	35644	28638	23963	556	14157	6095	12917	48907	13808	31482	27899	25908	11495	10144	11503	15992	17376	47614	39220	74957	102893	29950	24417	22953	36723	34921	434	17774	27814	31665	19858	20085	27837	48715	13223	10122	39408	22649	20140	91666	59538	45961	58830	39143	66042	573	38011	29992	15971	9784	8730	32475	21319	27453	0	35784	19473	496	26539	12520	Lipid	0.1875	1.4375	0.0625
20	C16 H23 O3 N1	278.17508	278.1754	0.12238173	278.1751	60730	69573	60905	54743	58139	35030	66756	49620	27022	103757	79696	55864	18849	30810	30975	65813	118438	33922	36530	120144	121549	74109	26572	53460	25534	66039	64415	78769	88612	70243	42495	107075	93095	97798	93090	105587	91407	29152	115719	83817	110267	39432	2515	692	550	44332	76052	809	93278	43807	62025	58917	55609	874	24009	17612	24193	60017	37892	81060	60253	45538	17608	23898	19866	41437	42463	127071	45191	69835	76618	44050	67585	55666	166948	81483	556	38402	35931	70223	23847	41160	57732	57863	20473	27447	49483	51117	42521	131978	92084	89611	78434	72603	74896	1685	64691	60838	36244	22882	21980	116560	48371	76909	37594	49614	43838	765	42398	24417	Lipid	0.1875	1.4375	0.0625
28	C13 H27 O3 N1 S1	278.17844	278.1789	-0.004912	278.17844	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9190	7422	23376	19905	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2145	0	0	0	0	0	0	0	0	0	0	0	1784	25779	0	6008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.23076923	2.0769231	0.07692308
10	C15 H23 O2 N3	278.1863	278.18646	-0.15449397	278.18625	2290	2015	1835	1262	0	0	2378	1616	0	1897	0	1162	0	0	0	0	1168	0	0	1185	1777	0	0	0	0	0	0	0	0	0	0	1154	1742	1152	1235	1219	0	1060	1932	1728	0	0	0	0	0	0	0	0	1304	0	2142	1999	973	0	0	0	0	1863	0	0	0	0	0	0	0	0	0	2429	0	1704	0	986	1105	0	1504	0	0	703	0	0	0	0	0	0	0	0	0	1295	826	0	28533	6587	0	2323	0	0	1963	0	0	0	0	1393	0	0	0	0	0	0	0	0	Peptide	0.13333334	1.5333333	0.2
8	C15 H23 O2 N3	278.1863	278.18665	-0.14085709	278.18628	2955	1418	1490	0	0	0	8859	2567	0	2375	20311	959	0	0	0	3037	2194	0	836	2847	1882	0	1156	2685	0	8086	0	0	1562	1306	1719	2014	1262	2599	1897	2197	2731	0	1561	1807	0	1164	0	0	0	0	0	0	2531	1395	1683	1683	1187	0	0	0	844	2392	0	0	0	0	0	0	0	0	1147	3085	0	0	0	2331	2363	0	1992	1463	0	984	1340	21712	1483	0	0	2379	0	0	1833	994	0	5529	12433	0	5955	2162	3551	0	2648	1936	0	0	0	2376	738	2430	0	2678	0	0	1714	0	Peptide	0.13333334	1.5333333	0.2
2	C15 H23 O2 N3	278.1863	278.18677	-0.075033896	278.18628	5391	5899	4652	4282	309	0	6312	7289	474	6993	3672	3901	0	0	5199	7463	10051	1146	1621	5402	6884	6079	3485	8006	7058	1361	4959	17752	5315	6070	5421	5591	6284	5090	7373	7173	6081	4673	11363	5766	7774	0	0	0	0	3568	4315	0	6575	7374	6000	6194	1124	0	1039	0	1603	6525	369	1169	5845	3573	0	434	0	606	2153	14080	910	1859	2940	6674	5402	6235	9962	5824	0	4434	7697	45249	5854	1517	3400	7118	501	1810	6259	2240	1511	18426	10429	7345	13740	10067	8947	0	4690	6969	722	0	0	6022	3961	6313	2240	6194	543	0	8070	579	Peptide	0.13333334	1.5333333	0.2
6	C13 H27 O5 N1	278.1962	278.1966	0.13321818	278.19623	1340	0	1079	1549	29183	4822	1356	0	2130	0	0	0	1472	4043	0	0	0	2992	2791	0	0	0	794	833	648	1378	558	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1640	0	0	0	0	0	0	1348	0	1003	1139	15550	0	0	720	970	0	0	0	0	0	1689	0	734	1320	3031	0	0	0	0	0	0	0	0	0	0	0	0	0	3907	341	1587	5783	1986	2861	1490	802	1065	2936	0	0	4717	0	0	0	742	0	2898	0	0	0	0	0	0	3468	11222	0	2061	4288	Lipid	0.3846154	2.0769231	0.07692308
2	C13 H27 O5 N1	278.1962	278.19672	0.07776391	278.19623	2780	2346	1651	2656	7077	17596	0	1514	1110	578	0	569	3386	3513	1682	2659	1532	1907	3937	0	571	1186	724	2078	1241	0	0	2233	3089	1076	2166	2828	1311	1553	568	2210	1398	1391	1898	450	0	42578	0	0	0	714	510	0	3676	897	2525	3648	25934	0	1909	972	23392	2530	0	0	2934	0	3022	1661	0	21214	56040	1392	0	0	0	1300	1417	1235	715	1861	0	915	664	0	635	0	0	621	755	1901	831	1261	2428	1376	1321	1016	1256	0	1193	0	2423	2138	1883	714	776	1129	0	1853	5593	931	1561	0	511	3247	Lipid	0.3846154	2.0769231	0.07692308
8	C17 H27 O2 N1	278.21146	278.2119	0.09454745	278.2115	38936	43495	39171	40054	18443	14366	88394	61483	7186	41041	22674	35500	4547	9011	27966	90270	32799	10971	18379	55869	45841	25463	25567	67593	35593	46697	124249	20885	40664	41683	40392	44148	41571	39400	42385	40160	49553	26938	36250	32703	2687	18435	551	0	0	21229	17599	0	59984	48687	35530	37435	19665	0	7399	2377	8928	73297	0	0	77865	10312	3409	6586	10835	8854	23488	50852	29630	52365	57426	56466	38515	34847	41485	41913	0	34884	24770	18180	19345	0	0	25177	2364	5669	26275	19480	21506	188868	50672	0	196274	18864	45578	0	39603	35686	4412	1567	2138	45568	32068	17901	0	96535	6430	0	26636	4001	Lipid	0.11764706	1.5882353	0.05882353
22	C17 H27 O2 N1	278.21146	278.21176	0.08720582	278.2115	12000	10024	10880	12906	2783	9505	20215	12480	0	4212	6459	7122	0	0	7468	43912	16894	0	0	8458	12066	10559	7236	18477	24176	27204	21344	11694	15764	13290	14518	14095	12789	9910	3475	15493	9249	8011	17879	8718	21587	12473	0	0	0	13485	26762	0	15040	13834	11527	10451	9783	1173	0	0	5864	26566	1650	13421	34779	3957	0	0	3029	7487	9523	17273	17552	14084	19296	11862	8398	8928	31541	16818	0	7892	9082	18907	7323	28762	4652	10946	0	4483	28877	8704	7410	105999	26926	23686	43896	9247	15890	0	11152	11877	2235	0	1558	11121	8100	8916	14815	17502	2984	0	27945	5534	Lipid	0.11764706	1.5882353	0.05882353
4	C17 H27 O2 N1	278.21146	278.21194	0.017150916	278.21146	16725	18972	17572	15376	426	2582	24072	57161	493	16609	7175	22124	0	0	19691	44664	28914	1753	3614	25356	27343	12631	17931	45519	19890	4300	35392	5534	35297	30293	31874	36417	26899	30528	14601	43967	32409	18992	26668	16195	5173	5575	0	0	0	9419	9553	0	49480	54173	19169	13446	3309	0	718	0	2262	32525	0	0	42558	7847	0	890	2316	2060	6886	31050	2534	4525	6702	39803	32145	47061	34100	27720	0	22868	19062	13338	16351	526	1067	15922	0	1657	16294	5994	8168	49271	38387	2131	57770	13569	35585	0	16892	19442	525	0	0	29816	16023	20999	4162	34621	270	0	18281	392	Lipid	0.11764706	1.5882353	0.05882353
24	C17 H27 O2 N1	278.21146	278.21176	0.067669176	278.2115	11272	11606	10183	12295	3438	2473	5556	34724	10412	3039	6407	84875	0	3191	49823	53551	16549	1158	2694	1885	3887	5383	2064	6143	4263	18621	3485	5593	11472	58336	23534	13560	16434	11003	1398	24470	20252	56257	12172	3282	6933	2812	0	0	0	10625	24979	0	9915	34651	7326	10554	3326	0	4286	0	1390	21061	1155	7434	51466	1834	0	3233	1251	2901	3426	14302	8368	7334	9738	43357	33763	80357	16179	52797	0	115164	4187	12820	1472	14634	2728	3613	2069	0	46527	0	3396	41271	6720	5366	11639	3187	6255	0	10110	8825	1227	0	0	13808	94888	3761	10953	11359	2565	0	4741	2649	Lipid	0.11764706	1.5882353	0.05882353
14	C17 H27 O2 N1	278.21146	278.2118	0.14230533	278.2115	2810	3354	2748	2971	1395	0	1860	4361	0	4752	3198	1545	0	0	3454	9373	3235	1485	0	7728	4570	0	1020	6967	1902	6968	3089	0	1762	3788	2521	7701	43891	3987	8411	2729	42002	2323	2788	4090	0	1323	0	0	0	1431	0	0	4110	1617	4260	4224	1766	0	0	0	767	8218	0	0	0	0	0	0	0	0	1241	8727	0	5353	5828	4612	2769	3588	2710	3155	0	1434	1333	0	1652	0	0	5928	0	0	12995	2170	1121	28835	21525	0	5797	0	10731	0	4181	0	963	0	0	42999	1748	0	0	5821	0	0	1171	0	Lipid	0.11764706	1.5882353	0.05882353
10	C17 H27 O2 N1	278.21146	278.21188	0.11508386	278.2115	31542	29593	30537	27832	78663	20929	25566	25408	11857	34107	18778	14631	15084	29314	13716	48111	15590	22859	48045	50373	57895	12060	15991	38157	27519	35151	61395	21359	19871	18059	17035	23092	26566	21595	41904	19268	23942	13847	15185	26160	1666	22599	926	0	0	16019	19277	0	26832	18827	32983	33732	32697	0	14708	8201	32878	50179	0	0	58893	5983	15003	12809	43782	23898	55222	25905	21860	38040	26881	23935	18439	17553	24775	16821	0	17225	22642	70218	8766	2102	0	19757	16068	13677	107876	22478	27373	108010	76066	0	77882	19908	42212	0	33385	31691	755851	10127	15279	24402	15935	15427	24520	39730	22970	0	18360	12314	Lipid	0.11764706	1.5882353	0.05882353
20	C17 H27 O2 N1	278.21146	278.2118	0.12502216	278.2115	14192	16489	12069	12086	88630	45630	8476	5565	28374	6403	0	4207	33423	26679	3786	19934	13206	54284	136425	3816	3162	2813	1880	10882	6571	6581	11369	6326	7381	6617	15460	6737	14272	7613	2708	7358	16219	4253	15275	4465	6636	16878	469	0	0	3798	12578	0	12272	9398	18698	11831	61201	1012	18539	27256	12856	15208	0	7461	12651	2104	21379	11772	12495	32644	23616	17519	5710	7085	12213	9774	5076	4220	29299	8562	0	3875	6551	2866	3148	1677	1409	0	55914	12539	32654	28279	25558	74003	18926	9036	17045	1731	4355	0	12690	14147	35399	41083	55112	9978	5248	4743	1995	11188	44458	0	12063	36880	Lipid	0.11764706	1.5882353	0.05882353
6	C17 H27 O2 N1	278.21146	278.2119	0.085241295	278.2115	40166	40411	40214	39862	2305	6315	23445	85508	1704	40004	17743	28566	992	2062	24945	97260	35949	5543	15031	44419	37999	32828	25070	139996	38382	10421	32977	13969	47462	54203	57394	63079	59719	48698	42766	53663	52228	23617	44477	29113	4987	12652	0	0	0	28205	19920	0	89269	65540	43565	41605	6919	0	1270	906	6126	94310	0	0	84807	12124	0	2365	6726	4750	15765	70609	5844	14805	13831	54775	55644	59450	59045	60204	0	29244	20548	22737	23505	505	998	22784	1461	4213	36648	14074	16851	236450	54593	2356	253263	26861	57910	0	38650	39180	2096	0	0	49388	30371	25847	14066	77198	765	0	29080	1212	Lipid	0.11764706	1.5882353	0.05882353
12	C17 H27 O2 N1	278.21146	278.21185	0.1523791	278.2115	9592	7648	6748	10290	4141	4726	4766	12810	1054	16566	8323	4352	2418	2625	3745	21361	5203	1551	7294	18511	17020	9949	5550	14302	8801	10660	6909	8411	9355	8154	7960	9795	10446	8259	22960	9449	10080	4415	5284	12984	0	2506	0	0	0	8190	8763	0	9659	8443	10300	10398	3421	0	0	0	955	24442	0	0	16998	0	0	0	2023	4714	3888	6873	0	13496	12963	8574	7114	9628	5743	10681	0	5469	5167	0	3616	0	0	16375	0	2066	23032	3494	4031	111103	113577	0	35298	23836	32119	0	16366	9257	5992	0	4598	9976	2352	4482	0	18561	0	0	5538	0	Lipid	0.11764706	1.5882353	0.05882353
2	C17 H27 O2 N1	278.21146	278.21198	0.04636609	278.21146	7350	6874	6208	5568	503	0	9922	19479	0	5671	3370	7298	449	315	7169	21928	9346	645	1009	8785	6132	6538	5832	16482	7932	1435	12363	1801	11799	11674	10927	12403	10025	10431	5884	14212	10040	5557	9725	6356	3806	0	0	0	0	3757	3724	0	13845	18491	6398	6060	1028	0	0	277	776	14236	0	0	16119	2923	479	393	0	0	1511	12759	978	1490	980	11386	11790	15455	13761	12115	0	8108	8173	4786	6521	934	1247	5497	0	704	6764	863	2538	16463	11845	4474	17017	5202	15647	0	7127	9141	0	0	299	9204	5957	11437	1262	10074	234	0	7221	0	Lipid	0.11764706	1.5882353	0.05882353
18	C17 H27 O2 N1	278.21146	278.2118	0.11279858	278.2115	6797	9595	8224	7293	2003	2038	5592	18208	2604	0	0	11598	0	4598	15973	30855	18079	4126	13379	5817	2613	2203	22350	43318	8148	0	5379	3117	15212	13076	14310	8890	8345	13285	0	10635	5731	16664	14409	5246	8990	4644	0	0	0	3873	5413	0	11279	21089	7418	5276	4084	279	2511	9125	4031	20664	0	1974	27170	1517	1850	2146	2436	0	3333	19252	1826	2052	0	12901	6823	7956	10080	10871	0	12128	18059	4413	17373	0	0	6320	6292	1781	22809	8715	6125	71008	13657	0	19238	1612	5236	0	6440	4332	2073	6601	10993	9053	11623	2016	1851	22264	2701	0	7962	2268	Lipid	0.11764706	1.5882353	0.05882353
20	C18 H31 O1 N1	278.24783	278.24814	0.07820875	278.24786	0	0	0	0	0	3502	0	0	0	4133	0	0	0	0	0	2190	0	0	0	0	0	0	0	0	0	0	0	0	0	2526	0	2086	3987	0	0	0	0	0	0	0	0	2370	481	0	0	1987	3679	0	9105	12420	1710	0	0	2021	0	0	0	0	0	21995	0	0	0	0	0	2561	0	1614	0	0	0	0	0	0	0	9516	0	0	0	0	0	0	0	0	0	0	0	4657	0	0	2630	0	5336	0	6545	563	0	0	0	0	0	0	0	0	0	0	0	0	0	11539	Lipid	0.055555556	1.7222222	0.055555556
8	C10 H7 O6 S1 Na1	278.99338	278.99374	0.12892897	278.9934	995	1694	0	1752	0	0	0	20809	0	0	0	6715	0	0	3940	4388	1398	0	0	0	0	0	0	1223	1086	0	1104	0	3249	6651	5325	4224	0	2179	0	3074	0	3891	1215	0	0	0	0	0	0	0	0	0	5533	32331	949	1203	0	0	0	0	490	5176	0	0	5607	0	0	0	0	0	0	0	0	0	0	12880	3953	6514	0	3055	0	7076	0	0	3087	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	928	1303	0	0	0	0	7081	0	0	0	0	0	2482	0	Organosulfur	0.6	0.7	0.0
18	C13 H10 O7	279.04993	279.0503	0.19453734	279.05	17571	22455	18097	16685	54747	37867	11613	11138	42169	9687	6312	9191	86271	57218	20003	9705	8082	72251	64910	4113	8474	20046	27099	9720	13403	1573	10243	5597	8217	6944	12274	7065	18024	8162	7961	7074	19464	16057	8093	2857	10603	19896	3946	1721	3691	9223	4724	4606	12412	5626	18153	25286	39045	2302	51809	36437	29381	15668	2891	4318	12480	3898	83734	43796	23253	75813	28032	9941	2369	3843	5023	8806	8068	3516	5302	4519	2502	13360	44743	11730	31277	7384	2759	0	60321	32146	32991	25228	25328	14404	5995	9941	13972	15261	9365	3201	21496	18791	26550	42554	55714	14621	11101	5075	2780	14214	28545	2166	10766	71227	Phytochemical	0.53846157	0.7692308	0.0
24	C13 H10 O7	279.04993	279.05023	0.16180348	279.05	5110	5505	4250	3995	17894	8964	3094	1925	16700	1678	1705	3125	23852	12232	5364	1812	2062	16388	17915	2290	0	5225	7077	3441	3207	0	2348	1171	1214	0	2360	974	2881	1105	3610	1717	2625	3193	1513	1198	1703	2919	2405	0	0	1377	1173	2774	2789	0	4750	7708	9129	0	15918	12099	7541	2569	0	1252	2487	1139	27355	18601	7386	24232	7199	2190	0	1388	0	1093	1182	0	1296	1433	0	1095	12711	2154	10159	1738	0	0	21091	8320	8497	4804	10402	3034	1471	1349	2174	3523	4047	2571	3242	5243	9110	16232	11613	2908	2481	0	1967	3007	11688	0	4199	34021	Phytochemical	0.53846157	0.7692308	0.0
20	C13 H10 O7	279.04993	279.0503	0.19037797	279.05	10506	13841	10940	6854	33177	23645	6011	3677	33078	3736	5664	7719	46127	29648	12173	6753	3064	44998	35180	0	4271	9277	14650	6930	7317	0	7074	0	4094	3967	5098	3957	6774	4167	3452	2852	8040	6940	4315	2855	4211	11204	3811	1912	3576	7510	2862	4586	3064	4303	10435	11267	22922	2372	25181	23098	14396	9313	2809	2471	4644	1338	52230	26922	14248	39930	14876	5869	1417	3815	0	2874	3839	2395	2463	3530	3281	7696	21220	7885	18105	2490	3042	0	32097	22328	20931	16846	21243	6876	6379	5083	7078	6798	5037	2921	8244	8932	19206	37167	31419	5948	5788	1570	2106	6799	22412	2948	9395	49480	Phytochemical	0.53846157	0.7692308	0.0
6	C13 H10 O7	279.04993	279.05045	0.21932362	279.05	10262	11335	7307	10160	26929	8038	2290	2106	31388	4833	6541	3562	45177	11183	2826	3203	3658	28324	28201	4530	8442	7615	6737	2709	1710	452	1942	0	1617	2039	2945	2163	6201	2233	8892	2496	4554	3408	2887	3499	6605	8296	846	323	1058	3155	2702	1040	3819	1335	10356	9256	14875	906	25580	33377	11377	6510	1980	4088	3373	1790	49838	28382	9224	36116	10372	4679	2606	1400	4208	2007	2026	1670	2558	2080	931	3097	6152	0	5577	2316	1463	0	31400	12976	7489	12906	13204	4360	0	1951	2941	7738	7298	821	9286	7508	21836	47831	44380	5037	3069	2635	0	2980	27592	490	982	52658	Phytochemical	0.53846157	0.7692308	0.0
22	C13 H10 O7	279.04993	279.0503	0.17822163	279.05	6829	7472	5186	6205	26928	15342	5253	2333	19550	2668	2049	3272	23117	18170	7645	2657	3617	28410	23934	0	2470	5473	9310	6149	4493	0	3287	0	2075	0	3235	0	4600	2215	3287	2704	5644	6414	2455	0	0	7347	0	0	3412	2125	2339	6446	3365	1880	6051	5168	13161	2039	20287	17858	9147	5431	0	1929	6253	1213	38853	23593	8333	30255	7723	3806	1531	0	0	2460	1284	1487	1554	0	3233	3283	15504	3604	17559	2074	0	0	31322	19461	14424	7310	10843	4336	3873	2975	5001	2770	6055	2986	5873	7074	14302	22781	23180	3189	3637	0	3069	5205	14405	0	4657	45165	Phytochemical	0.53846157	0.7692308	0.0
16	C13 H10 O7	279.04993	279.05032	0.19514012	279.05	40576	48207	41730	39287	96286	64712	24623	22398	84738	17814	15659	23529	144366	74065	38906	31251	33886	145950	135758	11723	13724	27876	42465	22613	24676	0	28904	10087	23486	21738	26677	22273	40085	21255	17233	23044	39680	37822	33576	9080	17035	47256	3995	1896	3568	14681	13364	4617	32454	20396	36905	39207	75570	3547	85000	59304	49716	38379	8409	11192	39706	5383	135076	91405	40893	123814	60614	29459	5940	8610	5920	19663	21521	16033	20736	24570	2081	21746	55231	28860	43119	12080	6199	4353	99104	52187	60090	53892	64422	0	18190	21108	0	26054	22019	4185	39837	41750	51688	81087	85074	35942	23181	8898	7909	35553	57567	2942	23939	144203	Phytochemical	0.53846157	0.7692308	0.0
26	C13 H10 O7	279.04993	279.0502	0.16487882	279.05	3878	3593	5158	4801	11518	9579	2057	0	11965	1456	0	4617	21711	10668	0	0	0	24703	16506	0	0	5145	5723	0	0	0	1994	0	0	0	0	0	2687	0	2913	0	3962	0	0	0	0	0	0	0	0	0	0	0	2095	0	4854	4344	10021	0	17580	10061	5929	2913	0	0	0	0	22046	12686	4796	17067	5808	3504	0	0	0	0	0	0	0	0	0	0	13840	0	13926	0	0	0	21085	9687	10067	5151	5603	2966	1597	1895	0	2759	0	0	7177	6149	6320	11730	15585	0	4136	0	0	0	5636	0	3356	29790	Phytochemical	0.53846157	0.7692308	0.0
12	C12 H10 O6 N2	279.06116	279.0616	0.24581383	279.06122	15595	16146	15313	15588	18844	12622	8524	8349	19087	9242	7504	10874	24592	8731	7997	15905	18445	30743	28930	5202	9322	22677	16113	15614	9625	0	6295	0	7461	7362	9604	9975	19786	11278	11157	6854	16943	11530	21698	5165	10487	16515	0	0	0	4095	6024	0	7143	9030	14680	14857	19883	0	20925	10473	8958	15646	0	7188	24436	4236	34954	23597	6797	24217	17782	24336	0	0	2427	7878	3815	3001	11613	7212	0	10868	18113	0	14591	3365	3156	1863	15661	9379	19217	22284	16795	35418	2989	9581	36309	7598	8095	0	17789	15799	10363	16511	7807	17045	9491	6644	0	21395	11648	0	11445	42241	Unclassified	0.5	0.8333333	0.16666667
8	C12 H10 O6 N2	279.06116	279.06165	0.25167042	279.06122	10946	17381	10779	13927	26799	12469	4245	4600	21902	3114	7059	9222	39521	8032	8360	13802	11568	28096	35862	3317	7262	19717	12577	9114	3129	779	5125	1932	4766	3276	3396	4085	13310	3035	11857	2331	11702	7498	16263	4947	9886	15299	0	0	0	4710	7783	0	7425	5187	13091	14822	18811	0	28719	15402	10338	9473	4865	5185	7854	4386	50096	28288	9525	33326	13983	17335	0	2542	2181	4198	4128	2223	6365	4123	0	5215	11323	4980	7108	3836	2183	834	19208	9419	12920	20521	15079	26071	0	0	26080	7613	3591	0	11284	12112	15871	23972	20782	11720	7353	7138	0	17775	13170	0	5101	59212	Unclassified	0.5	0.8333333	0.16666667
6	C12 H10 O6 N2	279.06116	279.06168	0.18183085	279.06122	3502	6710	3065	6076	10756	4265	1299	2815	13285	2273	3065	3587	17381	5075	2571	3681	4101	14108	14824	2600	4424	7016	4408	4868	993	0	1956	0	1346	1371	2838	1259	5670	2431	4434	1761	5324	2428	5054	1684	3054	6346	0	0	0	0	1592	0	2274	1436	6685	5637	8725	0	12835	8594	5028	3082	1547	2616	5397	1427	26443	12431	3677	14014	6625	9160	0	0	2692	1920	1002	935	2174	1405	0	1978	3192	0	3113	1080	805	0	9922	3257	3682	9290	7966	8236	0	1781	7673	2196	1750	0	4409	4355	6744	12936	10894	6721	3011	2189	0	5049	7104	0	2353	37580	Unclassified	0.5	0.8333333	0.16666667
14	C12 H10 O6 N2	279.06116	279.06158	0.22240023	279.06122	11127	9676	10857	9936	17768	8269	7666	4983	14111	6801	3835	9443	19541	8001	8686	9210	16607	20198	19835	2899	6045	24712	17517	8851	6140	0	4477	0	5463	4687	5024	0	17326	6282	6680	4865	10834	10630	20254	4135	16328	9440	0	0	0	2984	0	0	7899	8247	9183	9166	17406	0	16455	8038	9621	17060	0	7152	0	4774	25251	18474	9596	24273	11803	20134	0	0	1778	5121	2598	1486	8308	3342	0	7028	22883	0	15817	3941	2836	1260	17129	7282	20169	19728	13092	46233	3203	6973	36204	7866	3845	0	9367	10519	5401	14327	11530	10867	9028	3920	0	20332	8953	0	8466	28543	Unclassified	0.5	0.8333333	0.16666667
10	C12 H10 O6 N2	279.06116	279.0616	0.23318633	279.06122	24792	24228	21418	17909	26993	17213	7684	22505	26342	12925	11792	17155	41284	11590	15635	29100	25369	39346	43455	6102	12965	36662	20378	33110	8410	0	9192	2989	11701	10667	15575	14065	30473	15233	15422	13264	30240	16750	30189	7948	17118	22158	867	0	0	8160	7228	0	13927	14245	22029	21844	27790	0	30059	16440	14664	28604	9283	15083	28799	6681	43268	38153	14676	32622	22297	36541	0	2498	5245	17195	12522	5730	22547	13151	0	12474	23167	10312	16354	3312	4217	1643	23484	11157	16174	31719	28042	71286	6050	6732	62188	14527	12929	0	21322	17333	17840	20725	19818	27321	16605	10273	0	41645	16736	0	12418	68651	Unclassified	0.5	0.8333333	0.16666667
16	C12 H10 O6 N2	279.06116	279.06158	0.2699946	279.06125	6430	9273	6303	5372	11421	10276	5002	4342	12527	3217	0	6085	12556	8331	6467	8383	18256	18115	17655	0	0	7078	9457	12433	5972	0	5970	0	3638	4734	5142	5784	9925	4757	1955	3283	12242	7984	18168	2333	5796	7930	435	366	433	2035	0	426	9162	4993	6180	6796	14094	288	6700	4922	4809	9070	2044	2413	8073	2420	13668	9703	6499	13956	11702	17470	0	0	1418	6082	3609	1860	7719	3251	552	7326	25452	3550	14704	2405	1509	1367	12414	7113	19144	17153	12297	26015	0	4839	0	6987	3109	0	6072	6243	2548	5655	8769	11662	7155	3017	0	11569	7483	354	9459	20068	Unclassified	0.5	0.8333333	0.16666667
20	C14 H14 O4 S1	279.06854	279.0689	0.23723643	279.06863	9682	9872	10438	8005	13978	8551	1694	0	8800	27087	18410	2446	14734	6902	2282	4634	3186	19235	14727	26185	25308	29944	3441	3180	5649	13642	3295	21917	2526	1644	1981	2122	2535	3539	37454	2416	4790	2920	4643	26834	29025	5974	755	0	395	10864	10028	0	3797	0	6927	9688	9734	0	6312	7034	5588	5170	10319	9081	5769	17999	4632	7888	4357	11834	9450	6578	9729	15803	16113	1287	0	0	1739	1474	0	1346	4432	26737	1654	8890	6220	19355	8677	4525	8033	7235	7378	5398	34026	35673	7076	32381	40767	0	12493	8607	8820	6640	5891	4211	1831	6651	9998	3976	7339	0	3366	8161	Organosulfur	0.2857143	1.0	0.0
10	C5 H15 O4 N6 S1 Na1	279.0846	279.08502	-0.3707661	279.0845	4738	5611	4115	4826	7613	8582	4067	2311	8062	1880	3557	3334	0	6551	2711	4082	2840	2221	2275	2915	1964	2624	1062	0	1921	0	2920	0	0	2161	4334	5390	5966	5521	4163	3820	6086	3310	3604	3528	2361	3966	1674	0	472	0	3253	0	4976	2736	3421	5449	7660	378	1581	1707	5419	7116	3009	5312	0	2662	3618	3896	6723	7382	7109	4059	0	1590	0	4366	4349	1710	115295	5421	0	3411	3090	0	1996	1649	5555	3894	3139	4981	4929	5681	6258	3157	0	2829	0	3211	0	588	5111	3368	5457	5101	2155	5057	2380	4027	0	2699	13032	0	0	3076	Organosulfur	0.8	3.0	1.2
20	C14 H14 O6	279.0863	279.08667	0.15980011	279.08636	105332	116515	109942	100193	157160	138091	73432	97468	166448	72484	50203	75002	242507	125464	110691	109568	73616	224356	224205	79770	77757	110558	111746	105215	107867	42750	56591	50611	105659	86277	81242	85026	134882	92504	101527	86532	140580	83402	81614	71386	66069	110816	18164	17053	18986	75682	68658	24059	102816	62735	100990	108275	132653	15416	174176	139336	94434	113437	57432	46110	107111	50530	210646	175593	73348	202453	118674	86940	46845	60073	64474	84500	87004	78378	66971	99194	16742	72486	140367	61281	110593	54062	53499	54628	159294	94932	121474	106856	119402	80785	95219	87086	123520	61182	65861	24075	109871	94557	123138	154126	174387	126264	83131	76454	56002	96664	115833	16376	89720	233030	Phytochemical	0.42857143	1.0	0.0
6	C17 H14 N2 S1	279.09503	279.09576	0.85750175	279.09528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	561	0	0	0	0	0	953	0	0	0	0	800	0	594	0	0	0	0	0	0	0	0	0	0	0	0	729	0	847	0	0	0	743	0	1182	0	0	0	0	0	0	0	1457	1680	0	0	0	0	968	879	37402	0	0	649	0	0	0	0	0	0	0	0	942	0	0	1112	0	0	1269	0	0	0	1714	0	0	969	0	0	0	0	0	702	0	0	0	0	Organosulfur	0.0	0.8235294	0.11764706
10	C13 H14 O5 N2	279.09753	279.09796	0.11539786	279.0976	178807	167904	158642	158103	137455	109965	126534	163739	133351	133586	108479	137530	165512	68960	138514	223306	228637	210207	220237	122913	158902	285087	164434	237840	116039	37716	142579	64734	143714	114670	118883	142901	231098	140786	147115	114877	223199	140540	269472	151741	200472	134350	3045	1086	1244	124999	127403	1535	175378	129022	183503	179701	153077	1925	189214	94713	88613	232141	125310	150287	231021	96702	156986	169228	91731	192213	136416	281699	81889	95393	126805	136282	121819	89335	148400	114635	939	107265	209469	115427	158992	99114	104487	64287	118038	91288	207839	167979	151501	395204	133868	155164	397262	142958	163650	2619	179876	162268	93849	121416	103088	204393	111292	143815	73291	225435	101977	1531	155726	253551	Peptide	0.3846154	1.0769231	0.15384616
16	C13 H14 O5 N2	279.09753	279.09793	0.17351033	279.0976	25896	25173	23490	24440	25967	23219	24337	27988	17802	18239	16928	23139	24977	11712	26325	39288	41868	42102	31151	13406	22628	44596	28440	40910	25681	5707	22335	24241	26207	18569	22596	30500	48426	29975	26177	19700	42425	25570	36768	26156	42488	20746	1359	1321	1708	16272	18498	1529	37788	25069	34940	29630	28089	1452	22767	11903	17455	44407	16919	26742	36920	19750	19899	19422	14598	30291	24273	41983	13998	12168	17738	23707	19240	11640	25076	20242	976	17828	39670	36041	23960	14017	17962	16297	15856	15759	40802	30768	27763	74636	33083	33549	63209	26899	31018	1408	33309	27395	12351	9190	17015	37869	20710	18588	8202	47474	15162	1665	31754	35638	Peptide	0.3846154	1.0769231	0.15384616
14	C13 H14 O5 N2	279.09753	279.09796	0.17145081	279.0976	109245	95079	92991	105314	77865	74664	89636	100704	58554	66195	50009	90945	62286	37348	84123	136782	174027	97227	97834	53897	58565	159088	86129	128682	81226	20223	109419	47199	80493	72864	75775	106713	146135	117880	80754	80743	146798	76594	177094	84459	112518	87078	0	1452	1491	63255	56433	1294	127441	81580	98747	92053	90381	1253	66005	35614	49683	159563	53478	83800	124574	48321	65027	69796	45883	83024	81054	199793	20901	44154	53601	82817	78961	50652	108741	83363	1046	72235	113209	88344	86692	44175	61052	46343	47718	51499	127246	127820	108340	243665	111086	114207	222126	71901	90955	1862	103159	87280	39226	36980	40238	125789	84708	95650	35210	154149	37310	1454	107782	92263	Peptide	0.3846154	1.0769231	0.15384616
18	C13 H14 O5 N2	279.09753	279.0979	0.17664337	279.0976	6569	11426	9415	10095	9730	5754	9218	6343	5551	5360	5022	12390	4780	5148	9834	7277	20360	12917	10839	3229	3125	13982	11140	16876	13679	0	8937	3792	7628	6916	7418	12985	17690	10688	5459	6809	15795	10752	18434	6233	11140	11601	1721	1249	1499	4606	4433	1492	9079	9335	11437	9008	7618	1404	4221	3087	7709	12294	6371	9812	16168	2459	7521	8022	4263	11573	7981	17689	3184	4466	1565	6797	6394	6401	8581	11239	810	9904	11520	13323	11803	4866	6281	4459	5091	4475	12943	13107	10021	23701	10228	13152	30845	7074	9188	1348	9670	9822	3095	4469	3089	10263	7032	6505	3443	15988	3238	1390	14329	9566	Peptide	0.3846154	1.0769231	0.15384616
4	C13 H14 O5 N2	279.09753	279.09805	0.078851305	279.09756	89840	101281	85753	90059	104655	54273	40244	79204	132620	61382	53754	77290	151724	45005	71851	102315	147043	148401	161055	63437	88969	138583	101064	101157	41712	20829	41641	30290	57078	55888	70885	57568	105668	52446	84700	59133	93819	68600	177485	70325	107012	99076	2458	1132	1004	72067	95410	1106	77232	72505	91822	77740	105608	1246	145619	115984	77423	95797	49918	84071	103189	49622	168980	138373	68656	131074	80856	143781	44312	43530	62677	54162	48615	44359	44955	57317	525	53626	85455	39324	76676	43716	37332	24488	124846	83194	83807	124343	107833	174063	43426	60800	197978	51190	61255	2591	80686	96978	96459	140541	125962	98244	64049	78183	53025	110025	99860	942	57879	207867	Peptide	0.3846154	1.0769231	0.15384616
6	C13 H14 O5 N2	279.09753	279.09802	0.099991836	279.09756	214707	236141	188539	215461	201121	128516	124952	208066	230163	153234	118783	165475	249778	74447	170376	275102	246357	308302	322001	142283	216207	310574	202834	272554	109369	44475	132217	74329	158322	140963	184168	175889	285698	171025	185478	146571	254607	178112	329549	136327	245586	176849	2314	845	763	154968	186284	774	226144	160751	223686	217436	218216	1234	264832	147218	135929	245072	122493	200804	269170	105200	300525	211888	112530	240335	191713	366910	86742	107656	163874	152409	142614	112351	116706	147919	768	114123	192038	76513	158965	100455	98442	66227	171389	134410	227014	243441	223465	481231	110290	163533	445450	138891	159812	1425	213748	182379	129908	160245	167430	261904	149906	175948	87348	297297	151386	657	148816	407884	Peptide	0.3846154	1.0769231	0.15384616
2	C13 H14 O5 N2	279.09753	279.09808	0.15215749	279.0976	39038	37922	30177	36283	60635	32295	20854	35513	66783	22714	29863	36303	82167	21803	29081	13003	48192	70391	63454	22427	49402	54713	39380	30793	14792	5942	9097	19023	32536	18847	36198	33643	53875	29478	43354	25347	43540	27714	49562	26343	40614	37954	888	668	979	18133	23708	887	30750	21248	32064	32970	53720	762	68528	42651	32748	40321	17365	28412	16443	16431	110558	73723	34613	77010	49105	65252	14679	15388	21178	26923	29155	19552	11964	27086	644	21980	33425	14702	29764	14819	14704	9399	51166	30677	35316	67043	51255	75760	21027	27387	68356	26993	10486	1794	34197	36393	39597	59603	52561	29807	31157	22414	17603	50423	40980	788	26377	111046	Peptide	0.3846154	1.0769231	0.15384616
8	C13 H14 O5 N2	279.09753	279.098	0.13885795	279.0976	211592	231486	181755	217931	204855	128903	132341	171209	205924	150083	110441	155516	237413	74406	154659	273687	272056	262576	316651	158736	188336	314245	194609	271189	117534	50484	162158	74774	148318	132396	152410	175975	236504	157706	215928	138618	250648	170125	339613	191936	257579	171982	2675	1084	1211	148303	174692	803	209037	154140	207634	213133	189573	1485	274553	131241	128381	226591	125410	172970	234434	129326	256078	244031	120746	239800	170153	338365	105757	122625	159864	156533	129881	96519	153120	143773	760	128239	258151	119232	189108	111124	120149	83345	181351	116179	242353	235011	213581	497211	132103	193288	480681	166233	169524	1655	210998	198171	146832	172611	159954	230705	141942	180663	71688	257777	151887	1045	168611	338148	Peptide	0.3846154	1.0769231	0.15384616
2	C10 H18 O5 N2 S1	279.10092	279.10147	0.23094964	279.10098	2824	1370	1082	2176	1308	0	663	1384	931	383	991	0	1868	744	838	0	0	2754	2133	0	0	1870	642	1366	391	0	0	4960	2203	654	2458	2101	2185	2680	825	1584	2020	0	499	356	0	0	197	0	0	619	0	0	2367	0	1453	1905	1343	0	400	596	600	2013	334	0	0	0	1106	497	0	1791	0	577	0	354	0	2337	2654	1231	0	1732	0	748	0	5340	455	0	0	0	0	499	473	1223	1610	0	55404	57183	1881	1477	0	507	2113	1417	0	553	501	1798	483	408	0	1979	0	0	617	1728	Peptide	0.5	1.8	0.2
18	C18 H14 O3	279.10156	279.10193	0.16376641	279.10162	5403	9418	8597	7495	9479	4867	3654	4855	5224	7370	6758	3935	9534	10027	4935	12767	8134	7000	11835	11135	5060	14049	6449	9010	4975	23578	6977	10718	7587	6423	5420	6428	7772	9326	12244	5602	8579	3988	8873	13087	11452	3471	626	320	632	7076	7757	591	6600	6254	6714	7570	9435	687	3219	6468	5820	10931	2900	5161	7811	6265	7500	4702	3246	8477	8663	6490	17895	20205	20963	3750	4924	4935	5200	0	405	5782	9516	12998	8007	6585	2861	10459	7216	5937	7441	7789	6201	11649	8817	6285	16067	10584	12924	1131	6717	7152	9428	5629	8860	6658	4360	7232	2600	8467	6344	478	11844	5655	Phytochemical	0.16666667	0.7777778	0.0
20	C18 H14 O3	279.10156	279.10193	0.17595695	279.10162	10253	12930	12579	8221	11550	7318	6193	8319	6184	14285	18232	6938	9472	11878	6532	10013	11758	12506	20656	12862	20028	17453	7249	15347	8386	26619	6582	20591	9810	6755	7690	8710	12890	5171	20748	9829	8079	7152	8203	14915	18545	9404	2594	1017	1030	9603	12692	609	9274	5987	10048	12602	11310	2082	6394	7705	8659	9819	6361	9040	13535	7893	9847	4013	6457	15329	18046	7945	27905	17030	34613	6187	3929	5149	5578	7910	528	6598	8401	19265	6998	10400	5361	11553	15793	8002	13941	12085	10568	11308	12629	9740	22454	14233	14425	3765	13040	9754	11024	14663	12364	11527	7836	11574	6400	10822	9179	1187	8171	8538	Phytochemical	0.16666667	0.7777778	0.0
24	C15 H18 O3 S1	279.10495	279.1053	0.24979772	279.105	7613	7546	6321	6168	7795	5637	0	2041	3710	24829	23086	1118	2623	2012	1712	2457	2422	6339	3838	34799	25721	23330	0	2201	2616	7461	2796	33539	1923	0	2017	2011	3473	1461	23945	2623	2914	1394	3962	17932	12220	3343	0	0	0	16783	12892	0	1667	1425	7028	6732	8031	0	2292	2569	2464	4330	7585	9416	2170	11800	1362	3123	1813	5867	6165	2954	2845	6228	6941	0	0	1235	0	0	0	1188	2706	22035	2205	10682	8621	13006	2717	3032	4309	1752	3928	5699	37545	36155	5572	22267	31881	0	7312	9539	4151	2111	2943	2051	2037	11124	12614	3754	4800	0	1434	2851	Organosulfur	0.2	1.2	0.0
8	C11 H18 O8	279.10745	279.10773	-0.080417566	279.10742	0	0	2529	1333	3388	6543	0	1061	909	0	8073	989	1709	7297	913	1145	0	0	1638	0	0	1949	0	1305	0	0	648	36963	1012	0	818	0	1507	961	2163	1332	1670	1017	1170	0	0	1956	0	0	0	0	0	0	1305	0	0	0	1986	0	1536	0	971	0	0	0	0	0	0	0	0	2322	1864	0	0	0	0	1437	944	2396	0	0	0	0	0	43801	0	0	0	0	0	0	795	915	0	1209	15451	7687	0	21522	0	0	0	1544	0	1090	0	0	836	0	0	1086	0	0	0	1814	Unclassified	0.72727275	1.6363636	0.0
10	C11 H18 O8	279.10745	279.1079	0.081462435	279.10745	0	0	0	0	1914	1182	0	0	0	0	4526	0	1237	1888	0	0	0	1033	1872	0	0	0	0	0	0	0	0	14166	0	0	0	0	1199	0	0	0	0	735	0	0	0	988	0	0	0	0	0	0	0	1324	0	0	0	0	1108	0	0	0	0	0	0	0	0	0	0	1679	0	0	0	0	0	0	0	0	0	0	0	0	0	28557	0	0	0	0	836	0	0	0	825	0	7717	2312	0	13871	1829	0	0	0	0	0	0	0	0	0	0	0	736	0	0	1159	Unclassified	0.72727275	1.6363636	0.0
18	C15 H18 O5	279.1227	279.12305	0.11415823	279.12274	1459811	1431430	1371298	1313389	1589608	1377493	1004144	1235770	1381145	1766354	1007906	784840	2332784	1094886	1149048	1362594	1030395	2379375	2374102	2131886	1726608	1405731	1116466	1272159	921022	941812	926911	1010803	1372664	1132358	1129305	1262524	1778275	1302687	1805859	1267653	1942571	960249	1109661	1404920	1040000	1220796	98435	46752	65122	891451	725910	63243	1405598	947929	1357292	1386234	1391076	49612	2312059	1461022	998224	1581337	1008877	758885	1292921	923693	1909735	1586824	771005	1832407	1438499	1134270	900691	1265560	1181254	1066484	954784	1048965	980796	1233789	49965	840366	1291585	885399	1026429	729027	925596	882674	1422967	1119460	1296442	1178872	1325837	1120557	1565817	1702510	1490136	839081	1344878	78057	1426006	1360612	1202394	1540300	1623269	1619361	812474	1358614	517020	991063	1127314	53057	932878	1967974	Phytochemical	0.33333334	1.2	0.0
22	C15 H18 O5	279.1227	279.12302	0.10833943	279.12274	266105	267919	228895	246796	320026	315562	217333	283709	299173	219705	147520	205912	330259	246372	278236	292514	250153	415335	309143	262553	236892	260069	271795	282560	260755	132758	203597	130756	322110	247918	260652	287914	364285	272378	258138	278723	372631	251033	265103	191664	157013	218405	55438	47617	58458	178443	139063	60804	297762	224284	264253	253317	291173	37683	365723	283772	225969	329823	183932	132110	307164	127861	353097	312602	172245	346149	248733	220464	139776	243749	197560	245933	206727	229058	186956	284201	45937	205977	308853	117282	250489	130204	183238	130051	307491	209708	301761	247807	262379	231810	272022	263701	335448	122017	188875	60519	231492	288461	245498	330395	316747	368966	241960	240753	132356	266305	227916	48826	230824	418423	Phytochemical	0.33333334	1.2	0.0
20	C15 H18 O5	279.1227	279.12305	0.09151795	279.1227	634254	705372	610515	549018	862859	753650	458355	594722	751690	635067	329458	412495	1205672	651852	643986	617068	473904	1135828	1091647	716042	617997	604823	580560	615078	545114	344590	446940	328312	670334	518794	517651	613205	889624	598624	687710	534718	964809	474308	466055	516268	378223	562998	79022	55779	60353	424170	326716	70190	666290	454102	646613	673283	738082	44776	1023466	761684	504880	753460	499889	317089	634569	326837	987058	812319	382713	954433	624923	486191	297817	482178	416208	534789	537293	514375	461030	593851	48752	453347	649324	333572	500443	282851	417470	357670	722241	497761	633139	547092	645548	565651	755937	731755	749926	351540	383485	69213	627270	660006	605463	869212	934952	799152	473807	606783	301670	546047	613484	61914	477156	1129783	Phytochemical	0.33333334	1.2	0.0
16	C15 H18 O5	279.1227	279.12308	0.14018904	279.12274	2138090	2255606	2145227	2170562	2545250	1867350	1590196	1759648	2292500	3101157	1972693	1270200	3062644	1526174	1607850	2112225	1859836	3501552	3497139	3916566	3585050	2321615	1725468	1816998	1409678	2341048	1453090	1769115	1802096	1612747	1733247	1955058	2534567	1698151	3402122	1804166	2535407	1384254	1962821	2619923	2335467	1795059	111046	59871	71617	1548604	1494285	77578	2205273	1600702	2270472	2223931	2209247	62896	2872936	2140450	1481165	2372656	1442266	1458607	1931786	1644364	2781594	2313373	1092749	2891376	2033209	1691415	2016026	2936021	2715722	1631262	1703184	1526621	1625141	1751665	56301	1180490	1914656	1643867	1339373	1287972	1630925	1934398	2262561	1452719	2051188	1811438	1982250	2261039	2236941	2464711	2271721	1720402	2492307	94894	2171002	2272391	1771841	2272748	2626864	2552880	1173370	1856916	901659	1756374	1982381	62049	1457549	3057570	Phytochemical	0.33333334	1.2	0.0
14	C15 H18 O5	279.1227	279.1231	0.13729914	279.12274	2390946	2303164	2139921	2370146	2387134	1799932	1823207	1908664	2402788	2813499	1957720	1328962	3108961	1508960	1684405	2267674	4167334	3393626	2982097	3649161	3840568	2453315	1824341	1902789	1536186	3336914	3414736	1937456	1994536	1775005	1638484	2082359	5241074	1733764	3265623	1905267	4711216	1524575	4486366	5286924	2547774	1804587	127631	58065	58239	1691559	1659535	72862	2178740	2986116	2222055	2115540	2158030	50926	3235381	2155144	1499515	5242016	1621436	1582796	2145019	1647498	2826143	2471086	1252774	2651621	1921980	4098256	2726782	3975022	7937138	3104738	1604870	1618871	1777401	1832058	46799	1417339	4361920	1672646	3482866	1380297	1882466	4240540	2322102	1443008	4747636	1762872	1994532	2589194	2469235	2218834	5140572	1659872	2324688	94195	2311619	2368160	1934887	2759243	2678026	2310822	1472679	2287845	1049432	3642040	2002181	66312	3102128	2608678	Phytochemical	0.33333334	1.2	0.0
8	C15 H18 O5	279.1227	279.12317	0.15050189	279.12274	959304	1096640	698722	962374	808406	538572	702394	949242	876884	725596	559464	733478	942230	241382	767236	1091462	1028294	841838	1179472	1118226	1039286	1084468	890732	1131608	593296	1139556	731510	514146	961142	947770	808100	974800	942226	718242	1027126	914388	945102	723100	602398	837746	882942	761394	52259	40198	59477	899434	878794	53737	1111418	869700	892454	948952	727628	41826	1259876	882424	661344	971342	737698	797256	1081474	538290	478017	942476	255764	843380	631664	1082054	526541	1203004	1422784	761474	771666	715044	805580	1048174	42833	675476	1225236	229738	977524	376932	862470	638034	964212	277317	1080072	557018	802526	1328880	314445	419950	1252684	312924	760538	60865	960104	999464	782210	1238146	611614	1022268	745804	1057070	235043	791986	431826	38930	791910	884368	Phytochemical	0.33333334	1.2	0.0
12	C15 H18 O5	279.1227	279.1231	0.117138214	279.12274	6807092	7885576	7487048	7424545	6624792	4671714	5605240	6339216	3309700	7528548	2651892	3667952	3159762	2114576	4638968	8240763	6581264	8859320	9682542	10632369	10631560	4009770	5599115	6537440	4434014	10238984	6045556	2414880	6388115	5249265	5207104	6345582	7714280	5412752	8775056	5413491	7006361	4786338	7472675	7326880	4045890	5197616	175954	100518	119026	5478760	2689214	128636	6895912	5444200	7836748	7689585	6251457	89224	9368236	2902921	4599360	7602222	2233096	2687036	3967076	2302330	4164274	3363414	3389088	7549115	5471412	3318256	4578196	12686212	12865172	4584936	5038468	4570408	6604104	6083539	75542	4401111	6783413	2130636	5632064	4699612	5813337	5732844	3281337	4463036	7442015	4553361	5561636	8511472	3512839	7405748	7883813	2248620	3731895	157016	7722404	7597220	2947472	3410328	3710974	7309284	4330592	3151886	1651176	5734477	6206601	104594	4723503	8772240	Phytochemical	0.33333334	1.2	0.0
6	C15 H18 O5	279.1227	279.12317	0.1471327	279.12274	381768	412796	283168	188187	289940	100414	318804	404840	368114	158252	138091	280024	330494	225490	346772	411416	346184	363426	206012	196208	391804	468654	368262	466838	250226	350786	138882	103241	388838	394592	345728	176660	225060	277724	384680	389712	176115	330676	228735	126607	179105	295864	45704	35871	54412	409176	418576	45610	193374	371788	346450	379820	285326	39758	466062	400472	285504	454408	158975	403982	228503	108996	356960	159660	180138	302158	127782	484950	392540	384442	519832	142712	299238	345306	120099	384108	37990	245398	406100	85797	390224	356974	379598	106450	351092	261000	446122	224096	303022	271009	138457	326090	238749	137973	307738	49879	170783	382502	277314	441360	265393	218158	339936	409046	159385	166406	313410	37200	290278	339306	Phytochemical	0.33333334	1.2	0.0
22	C12 H22 O5 S1	279.12607	279.12637	0.02308871	279.12607	0	2443	0	1847	2420	0	0	13618	0	0	0	0	0	0	0	6161	0	0	0	11195	0	0	0	1432	0	0	0	0	3146	1422	0	4868	0	3194	0	3916	0	0	1436	32467	2652	1805	0	0	0	61827	6988	0	8637	1115	1556	2614	1334	295	0	0	0	9995	0	7198	5118	0	10850	19407	0	1983	0	1845	0	14916	0	7116	10694	4225	1410	1816	0	0	0	0	0	0	0	0	0	0	0	11407	3629	0	3827	0	3170	0	3130	0	0	2316	0	0	0	0	0	7158	0	1511	0	0	0	1716	Organosulfur	0.41666666	1.8333334	0.0
24	C12 H22 O5 S1	279.12607	279.1264	0.20257005	279.12613	0	0	0	0	0	0	0	3192	0	0	0	0	0	0	0	2543	0	0	0	5988	0	0	0	0	0	0	0	0	0	0	0	1259	0	1137	0	0	0	0	0	7197	1331	1322	0	0	0	21220	0	0	2103	0	1212	0	0	0	0	1061	0	1446	0	0	0	0	1640	3431	0	0	0	0	0	4375	0	905	3484	3200	0	902	0	0	0	0	0	0	0	0	0	0	0	3104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1918	0	0	0	0	0	0	Organosulfur	0.41666666	1.8333334	0.0
18	C14 H18 O4 N2	279.13394	279.13428	0.058030758	279.13394	20337	24304	20734	20353	13204	16664	22539	33388	8160	10839	8210	24881	4903	14681	26743	33242	44284	12828	14936	9136	7310	25926	28480	37549	25870	5505	20235	12084	35327	25354	32402	34035	35272	47539	11837	30701	33530	24143	46372	10037	13113	23384	2186	2094	1886	10000	10656	2157	45281	22768	21079	20286	18348	1968	9895	6150	13290	39898	11244	15681	32640	9222	5524	7132	8984	13090	18098	44447	6802	3763	10679	28901	27412	20138	32664	27712	1254	20225	28998	13780	21354	10021	11348	7551	5203	11226	38494	28354	21974	57834	29592	23598	44608	12249	13167	1968	21743	22728	9371	6501	3955	33876	26262	9427	3979	32879	8543	2057	29953	14444	Peptide	0.2857143	1.2857143	0.14285715
8	C14 H18 O4 N2	279.13394	279.13437	0.048889007	279.13394	515148	602144	456361	538563	221717	258220	461956	663645	207304	441872	266229	414800	184342	107686	443859	797812	639970	326434	474837	593485	536801	710931	446404	767522	470358	253662	498716	259590	648885	561133	584096	705417	747993	640307	607468	600080	844865	417622	823277	547126	615129	359850	4326	1468	1699	508161	491677	1540	777740	571705	505663	526550	319375	2113	289769	109840	203707	643948	325666	436205	638744	329804	170032	241660	184266	269388	347004	744247	250509	419672	431594	620239	588583	529404	499208	635534	1112	410478	528431	389263	411417	341744	438017	360063	155300	199351	520288	403368	420782	919383	543321	588178	1099121	364341	505117	3758	525707	536944	150987	148389	147569	746291	406972	589951	213030	678817	179751	1663	483397	274466	Peptide	0.2857143	1.2857143	0.14285715
0	C14 H18 O4 N2	279.13394	279.1345	-0.0333206	279.1339	31399	31136	34275	27696	25886	13133	27551	50795	33735	25651	16016	26812	29362	13464	29699	12731	54685	49642	42272	27336	53672	44945	35426	34631	16314	16942	12669	13750	52421	19317	38293	36234	61339	42038	47924	41826	49971	31485	68855	30663	36810	33327	0	1521	1847	22236	18930	1056	44677	30601	35009	31974	36738	1122	36135	21914	21691	50438	25243	31300	23140	18887	27607	34214	27880	28094	39885	66232	15753	21858	19697	34881	43937	29631	11884	43604	1618	28138	36672	11151	26465	13144	23942	16759	26205	27746	36577	37196	42632	51827	17305	27064	71869	18435	14488	1412	28245	35205	17914	18467	20462	30577	18617	32110	16383	47815	30159	1637	30546	45607	Peptide	0.2857143	1.2857143	0.14285715
4	C14 H18 O4 N2	279.13394	279.13446	0.106028214	279.13397	677856	741979	664681	668769	355338	341136	578748	719870	321417	495167	342976	510517	300429	168905	597595	971450	1086566	491982	619810	515688	558080	756660	565474	990453	544117	211868	574092	393720	712818	533630	662213	710050	1015092	568824	666634	735250	967473	578038	1246551	400209	503919	467306	8612	6396	11456	466568	393415	6356	844329	666086	662893	541664	460387	8650	373499	175765	316517	894342	187750	310584	899150	283581	280827	308668	242257	425269	427664	1140844	251846	368507	461379	510026	590508	664469	853752	623714	1121	531307	734952	1047806	656106	236988	273076	257306	254965	354246	796105	553606	557055	1597362	1130617	672348	1689793	620954	456974	13937	604998	736266	267243	237786	264539	1019979	545676	454559	242533	972973	303932	7965	647341	369248	Peptide	0.2857143	1.2857143	0.14285715
2	C14 H18 O4 N2	279.13394	279.1345	0.17230271	279.13397	502622	491495	417313	442157	286731	300437	375571	545084	245326	309333	330397	350349	271056	146970	380323	586004	689965	377389	413655	352231	398261	606633	373899	602713	350554	117451	328948	932369	546495	406547	481946	503267	632630	407602	393750	464690	562181	358466	685186	304791	319341	336232	2644	1350	1425	256991	244092	1802	535237	393095	419123	458815	327042	1608	313629	126744	191396	617048	131524	216707	480392	170802	247650	283662	174678	318775	349639	851124	160946	252284	266130	378036	414320	385715	477569	438844	1053	315227	451717	1547262	357326	125100	171325	158005	167975	213150	468174	399188	397039	1263463	1451139	1026721	1120972	502557	300178	4495	465904	492992	188964	162239	181771	532313	332493	368657	146018	640642	186439	1492	458449	336785	Peptide	0.2857143	1.2857143	0.14285715
6	C14 H18 O4 N2	279.13394	279.1344	0.057967737	279.13394	654035	698050	625746	659623	340851	329537	618379	778699	311847	553266	323105	461521	260337	155098	600289	923249	718526	525436	675904	592122	631663	832223	542846	885345	512675	251796	537426	299364	762388	665689	787686	855474	1157627	746588	717107	756641	1143486	522760	989047	408560	602876	435474	4541	1593	1421	504561	501508	1632	940372	663436	677919	650606	429321	2343	348650	137916	239168	879405	269687	450598	849824	308449	248959	237717	199505	390699	592502	1045994	283922	468407	566995	660306	662168	633633	596050	643895	1263	485050	475916	293444	460642	314626	361147	316496	178898	281820	577897	505675	551241	1230648	777387	623127	1313718	348468	471585	2712	619051	579244	177254	150355	185669	1051259	520803	564099	248456	906565	234380	1495	516060	429559	Peptide	0.2857143	1.2857143	0.14285715
4	C17 H19 O2 Na1	279.13556	279.1363	0.4185728	279.13568	1864	759	0	0	0	0	3812	0	0	0	0	0	0	0	3886	0	0	0	0	0	0	0	0	8760	4236	295	0	0	3078	0	0	960	0	0	0	1559	8826	0	0	0	0	828	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1094	0	0	0	0	0	0	0	0	357	0	0	0	0	6054	0	5272	1624	680	0	0	0	0	633	0	0	0	0	0	0	0	0	22961	0	0	2189	11848	0	0	8146	0	0	0	459	761	4770	0	0	1673	738	0	538	0	Phytochemical	0.11764706	1.117647	0.0
2	C17 H19 O2 Na1	279.13556	279.13602	0.14382757	279.1356	0	0	0	0	0	0	0	1403	653	0	0	0	0	0	0	1474	0	0	602	0	0	0	1086	0	0	0	0	0	0	0	0	0	0	0	0	0	0	772	0	0	0	0	0	0	0	756	0	0	0	0	0	0	0	0	542	0	0	1615	0	814	0	0	0	0	0	0	0	2259	0	0	0	0	2527	0	0	0	0	0	0	0	0	0	0	0	0	3328	1685	0	3660	0	0	532738	15046	0	0	0	0	0	0	0	0	0	0	600	0	1047	0	0	0	0	Phytochemical	0.11764706	1.117647	0.0
4	C11 H22 O4 N2 S1	279.1373	279.13766	-0.28064072	279.13724	4291	4486	4802	3591	0	32881	0	0	0	0	0	0	0	0	0	748	0	558	0	0	0	0	0	0	295	0	0	55698	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3555	4580	0	213	0	0	0	0	0	0	0	0	0	212	0	472	0	0	0	0	0	647	0	975	0	0	0	0	0	66523	0	0	0	291	0	0	0	0	0	0	161567	91989	0	10292	0	0	4472	5360	0	409	460	0	0	0	0	0	0	0	0	356	Peptide	0.36363637	2.0	0.18181819
16	C19 H18 O2	279.13797	279.1383	0.040892746	279.13797	8906	12463	10067	12297	7561	4461	16492	14931	6891	5100	7818	13145	5006	4206	10346	16227	17406	6512	7430	7621	9486	7861	9084	12184	6824	11900	12665	4280	10482	15787	13069	13492	17968	8564	7896	13694	11742	8531	23151	7619	8928	5561	0	352	0	10537	9993	430	17623	13856	9860	9315	6169	324	7693	4719	7190	14513	6677	8214	12668	5173	6422	5053	5978	7940	6060	16184	12356	15166	13719	9500	11989	14490	12840	15814	0	9689	19183	5430	10221	7707	10844	5100	10810	7365	13722	8488	9046	25318	8372	9355	0	4904	6971	527	14479	9070	8508	11939	12036	11569	9499	10104	5308	14736	6854	0	14649	5723	Phytochemical	0.10526316	0.94736844	0.0
22	C19 H18 O2	279.13797	279.1383	0.11957836	279.138	21672	32254	28972	27548	32507	21437	18792	40266	17299	20132	28949	24916	20037	19255	28195	46663	33497	35938	41097	27578	22808	33081	23599	54576	29003	59223	15933	25911	42068	42282	35287	39479	39298	36518	21224	35794	40462	19288	29292	24051	34552	27305	3496	0	1508	23514	26081	0	45767	36797	30338	35188	31729	3157	17293	16764	19096	44613	17462	17984	47725	18570	15286	17796	12945	27588	39535	29371	43249	38623	58720	31219	30855	34415	25571	43122	524	24919	29547	25667	25312	19109	16650	20583	25733	19462	39212	42226	37633	65077	28231	27416	44406	24358	29251	3653	28535	31200	23679	25301	15472	48327	22444	36211	16174	41328	20731	0	29997	14152	Phytochemical	0.10526316	0.94736844	0.0
20	C19 H18 O2	279.13797	279.1383	0.15039378	279.138	24167	25883	20580	18942	14037	13863	19299	26146	16219	18539	18054	21948	12531	19147	26715	35000	34630	15487	27356	25590	28459	20909	19233	34711	25227	36626	18799	14235	24908	33367	23575	29756	30384	26191	20411	26533	35043	22844	28770	19078	24782	22248	1366	0	385	17367	16625	0	27247	27298	20441	26625	21145	674	11337	14469	17145	33285	15253	19554	25617	13533	16285	8902	13031	16413	22597	32440	30656	35524	47342	18770	24458	24507	27325	26372	300	17058	24943	19928	26389	12058	15592	13414	19011	14321	28207	24110	20846	40260	24644	15125	37266	16867	17767	1025	20433	22200	17626	21149	21827	30161	24119	28003	19207	27154	14741	631	24084	18938	Phytochemical	0.10526316	0.94736844	0.0
18	C19 H18 O2	279.13797	279.1383	0.11624581	279.138	16048	15708	15209	14276	13067	6870	20290	23173	7781	11821	10997	15076	14512	11819	13020	31864	29009	8569	18331	19689	17335	15811	18001	27355	17578	17219	15558	9716	19607	20154	19749	15242	20399	13624	11773	16190	18312	13982	31349	14113	15014	11631	592	0	0	12065	10500	369	22020	21946	18163	18940	13282	441	8844	9286	11660	25315	13555	18608	20557	7739	11765	5187	8529	10685	13809	28387	17474	16345	26004	12142	12869	18881	25605	21983	0	12010	26718	12812	22175	9046	11933	9816	19562	11020	24859	12172	15890	31878	16326	19662	35068	8464	10009	572	20526	18870	9160	19934	14046	19842	17607	19055	5528	19925	8410	0	20075	8436	Phytochemical	0.10526316	0.94736844	0.0
8	C12 H22 O7	279.14383	279.14423	-0.06580893	279.1438	11114	10358	9294	9296	2068	1312	3452	2268	1708	11409	27658	1027	3796	2531	2585	0	0	2905	2669	6036	3802	6612	1285	3261	2393	4708	19464	68022	2092	3533	1893	2573	1771	2194	2941	2366	3155	1368	2238	11291	24808	2861	8254	1210	1989	20085	89032	1929	2858	2994	10415	9135	2134	2791	2027	1742	1753	0	24442	23882	0	26013	5431	2175	2059	6043	4104	6530	83431	6032	112757	1583	2682	4358	1448	3481	2764	1377	1929	89587	1519	3397	1651	0	2223	0	2189	3585	1363	3792	0	0	3714	26918	14493	1524	12938	10774	1736	1424	0	3156	969	9065	263325	1596	2395	1921	907	3689	Lipid	0.5833333	1.8333334	0.0
10	C12 H22 O7	279.14383	279.14417	-0.12042677	279.1438	5240	4370	3730	3991	4775	4037	5384	1714	6446	4938	6126	3490	1201	6571	2020	3034	3532	2345	1707	3772	1970	3295	2183	1990	2190	2487	7397	10792	2667	3103	4581	3400	4546	3959	3818	2306	3569	2450	3452	6788	5482	3079	14626	11678	5546	0	5477	11390	3067	1221	5770	5885	4449	5800	2283	3468	6553	5114	9838	5137	0	8565	5502	3773	7345	7454	6713	0	0	5400	7817	4296	3762	3012	3510	2731	6222	2583	4919	11500	5211	3865	4912	2801	2945	4457	2064	4764	5130	0	4356	0	1712	4283	7576	11575	5985	5499	5507	0	3022	1308	4388	4436	190362	3798	2321	11993	2120	4741	Lipid	0.5833333	1.8333334	0.0
6	C12 H22 O7	279.14383	279.14423	-0.19916329	279.14377	2484	2784	2113	2544	1831	2647	1748	4826	1183	3520	7477	543	1639	2819	1157	2907	0	2129	1079	2934	0	0	967	1991	1656	0	4592	15689	2464	3212	1909	2515	1750	2120	1249	2044	986	815	1876	3327	5912	4747	2332	560	898	5719	5334	771	0	4066	2071	3660	1467	1155	2272	1403	1478	2280	3513	9835	9710	3227	4579	0	1245	2079	2472	0	7419	3302	36341	3834	1642	3661	0	1871	867	952	1393	27914	0	1794	1017	0	1533	1575	1283	2318	1551	3830	0	0	0	7801	4392	673	2506	3209	2596	1131	0	2320	0	5769	22120	0	1527	661	0	2045	Lipid	0.5833333	1.8333334	0.0
0	C11 H22 O6 N2	279.15506	279.15558	0.1266405	279.1551	2859	2764	2410	2571	4933	0	0	4457	2530	0	0	0	9150	4569	0	0	0	13279	5262	0	1681	2845	2022	2845	1852	0	0	0	10272	0	4659	3813	22791	6042	1529	2908	4054	1091	0	0	0	0	4595	0	0	0	0	0	3239	0	0	1825	6381	0	3120	892	0	3716	694	0	2952	0	11568	3122	2081	10739	14025	0	0	0	0	5559	4698	3209	0	1887	0	2273	0	0	0	0	0	0	1054	0	0	2873	3799	37856	17771	0	3916	0	0	0	0	2753	527	583	0	2153	0	0	0	3175	851	0	0	23088	Peptide	0.54545456	2.0	0.18181819
8	C16 H22 O4	279.1591	279.15952	0.05682547	279.1591	133866	122866	42509	118316	43958	42187	61581	74246	44205	39226	38144	56700	41715	40315	60380	65455	75392	40442	54166	112094	97722	73565	59196	84237	58821	97730	58260	75088	70899	68923	61801	71071	55846	97076	112836	70072	117752	58223	148930	54604	52391	49806	25897	22947	33102	72256	63088	29525	67765	60449	102286	129346	41635	24040	53546	54941	51746	73452	57338	58928	69477	37926	41938	41911	40100	40684	32756	79476	55911	47342	55655	50172	61012	66715	57391	78125	24176	48228	76669	31168	64836	64326	70089	48542	50796	39249	72436	35090	46721	102838	50152	135756	178052	42508	96806	30886	106068	142934	42960	67870	66403	70112	65123	67335	38921	58898	45955	24035	64042	36630	Lipid	0.25	1.375	0.0
20	C16 H22 O4	279.1591	279.15942	0.077648	279.15912	1667374	1729234	1681208	1447081	1898118	1455379	1673798	1508109	1397813	1972026	1196514	1029875	1939512	1553867	1305818	1887707	1926341	2145011	2274870	2596735	2420244	1616476	1090094	1450287	1276618	1471324	1851592	1285924	1806964	1500343	1243355	1667379	2175526	1602318	1897691	1633812	2298666	1070720	1935729	1364203	1263385	1409335	122488	49660	45694	1121945	1041974	58325	1758197	1177822	1660252	1586192	1552660	51659	1679843	1452925	1018519	2059022	1141073	1035128	1699545	852625	1662415	1446449	953676	1872618	1524640	2004304	1044523	1465307	1570909	1196299	1415555	1445371	1915977	1592282	40734	1023706	1343237	1236246	897740	760854	1640446	1484213	1366721	1155681	1701143	1423621	1489960	2180961	2352754	2237347	2122162	1192035	1574689	64281	1693031	1743141	1266607	1434512	1696139	2436570	1028308	1704913	890099	1590191	1368195	55970	1209746	1821485	Lipid	0.25	1.375	0.0
24	C16 H22 O4	279.1591	279.1594	0.09062972	279.15912	348134	334035	300115	344547	389824	349060	429655	329135	326849	304000	190153	240287	483397	347933	341360	390766	284128	515648	568954	384444	321922	286243	299460	330473	272073	177304	426027	225836	379384	364581	307056	405229	467964	330750	325482	405779	515647	250785	317069	230344	167051	277857	65468	41288	71937	234950	143745	54676	406465	296255	316798	322524	353926	60047	498585	310607	229419	454910	254487	166024	422681	151177	424318	359170	190971	448248	370454	294805	134575	226603	193497	279820	296585	340183	264800	354244	58982	269086	287361	177348	237445	167641	286586	223163	345729	243082	334365	229643	330863	335556	525043	481445	485431	166076	255910	51548	339087	350800	258692	308381	331521	470682	240938	332943	187298	336417	238287	48966	267600	445869	Lipid	0.25	1.375	0.0
22	C16 H22 O4	279.1591	279.1594	0.07320579	279.15912	1071287	1030682	896944	1022723	1828618	1332866	1028096	934345	993894	1269113	721411	653444	1088600	1026103	859877	1063333	846440	2093637	1290099	1558371	1371250	1031708	749709	887090	934064	549272	1066089	808605	1189388	963030	886706	1108778	1345511	1060747	1181115	1143502	1474983	736058	855528	737801	584576	803175	96063	55553	54326	706192	547800	56640	1161727	776405	1018041	1003234	995621	55922	1408456	940270	696185	1274789	787326	521153	1063737	509964	1291156	1055882	573639	1270801	1096222	851024	420658	737509	627398	810758	814127	866452	703288	1009893	47655	664227	798936	632419	567356	537066	872964	657607	1085586	843869	1020018	852420	943550	1015266	1676302	1685867	1182176	667986	1091078	61711	889552	1044299	804345	1177826	1206234	1369071	682989	1032857	592011	971513	921321	55548	721269	1392771	Lipid	0.25	1.375	0.0
6	C12 H23 N4 S1 Na1	279.16138	279.16187	-0.088843174	279.16138	920	1001	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	728	0	0	859	596	0	0	0	0	750	0	0	0	0	0	0	903	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22910	8067	0	819	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.9166666	0.33333334
2	C13 H23 O3 N2 Na1	279.1679	279.16867	1.1272141	279.1682	0	0	0	0	0	0	0	0	0	0	2140	0	0	0	0	0	503	0	0	0	0	0	0	0	0	0	0	16810	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	304	0	0	0	0	0	0	0	0	0	53712	0	0	0	0	0	0	0	0	0	0	0	12401	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23076923	1.7692307	0.15384616
18	C15 H22 O3 N2	279.17032	279.17062	-0.05310068	279.17032	4630	7823	4503	6068	3672	3856	3958	7420	1255	3851	2954	2723	2831	1719	2935	8510	7661	3382	5153	5007	4424	5036	6498	7753	3038	1338	3291	5748	5036	4816	4607	8766	5638	4473	0	4302	5413	3181	9451	2383	6590	3658	1933	0	0	2589	3282	0	7359	3723	2905	5061	2749	0	2075	1334	2192	9393	3114	6458	4775	2819	0	1569	1253	3264	2966	10252	2873	2976	2364	5343	3353	3487	4940	0	0	3465	5109	12520	5082	3774	4767	2698	1278	2196	7128	5042	2503	14732	39327	15040	10036	4201	2198	0	3555	3540	2154	0	0	4781	3607	4123	2202	9248	1884	0	4234	3618	Peptide	0.2	1.4666667	0.13333334
14	C15 H22 O3 N2	279.17032	279.1707	0.00695334	279.17032	37371	40459	36975	53485	12399	10923	28274	34582	7787	23311	18594	29300	7267	8837	17413	57068	48274	11728	14184	32470	25381	39330	24904	47454	25169	12487	33758	21948	37061	35462	41880	40511	48495	41374	31799	40830	39510	20128	54743	39319	53899	19422	0	0	0	28647	39587	0	51629	38701	40184	44498	13726	0	7637	4009	8972	52405	17606	45476	35984	15188	7668	9906	7805	15338	17172	59193	0	15611	24756	36560	44043	38226	45297	38614	0	23176	26826	58601	23362	21286	30814	25853	6629	10467	30775	25326	26610	80867	328315	86382	75552	73150	52341	475	39251	26329	7612	8590	8860	41600	25908	41722	0	45940	8367	0	30022	10055	Peptide	0.2	1.4666667	0.13333334
16	C15 H22 O3 N2	279.17032	279.1707	-0.02861722	279.17032	21358	17754	16589	10684	8975	8492	13756	16212	2578	5674	12826	9130	3982	3389	9582	21039	26828	7623	8251	9027	11265	23429	15442	24584	9765	3312	13443	10417	17569	14156	14217	18233	22097	17294	11622	14909	20002	8010	21382	10645	18285	10712	534	0	0	11702	15574	0	18735	14249	13487	18623	7466	246	6259	1459	6291	23903	8708	15118	19180	6371	3406	2963	5469	11029	8796	22595	3220	4480	9196	18766	14858	12930	22361	16043	275	9302	12754	30139	10206	12014	11681	8341	2977	6019	16293	13466	9865	51164	87130	26690	33682	10901	15824	0	14440	15210	4705	0	4233	23207	7989	15580	4965	26381	6607	0	18413	3859	Peptide	0.2	1.4666667	0.13333334
12	C15 H22 O3 N2	279.17032	279.1707	-0.004178374	279.17032	140027	134798	148041	134052	15750	31026	31465	56036	13910	64114	224093	27535	8127	15951	26818	67187	58838	14855	20491	38572	34285	48474	27711	54984	35593	24835	38091	781743	44512	45766	42333	55788	58870	49632	36666	43257	49442	27047	78869	34376	54929	19628	387	315	0	37486	47437	0	61372	49418	138801	120469	24509	330	13899	5478	11312	69713	12490	29647	40499	17733	8892	10613	12500	22506	24751	92329	0	33535	44506	43998	46657	41805	61540	49541	0	32018	53920	2102804	27242	25876	25995	23455	7351	11908	47727	26383	23450	100466	8224972	2594537	76593	577497	109301	577	148378	170536	11209	7453	7740	53540	29374	33764	0	55460	16120	0	49316	9817	Peptide	0.2	1.4666667	0.13333334
8	C15 H22 O3 N2	279.17032	279.17075	0.062944494	279.17035	662627	776971	699518	706782	38663	390653	40974	82219	22800	103821	426699	38198	35411	42480	54277	160609	70376	53745	56429	58818	56573	109321	41525	102378	57450	28825	85356	3517121	88537	58538	88097	102074	131817	90140	70849	64272	132470	58992	103377	62252	66316	181697	883	278	0	57648	51554	0	109562	63461	573539	685423	40015	999	21445	11545	26122	136987	8489	22448	79303	33982	32534	22281	61629	55334	48451	95842	24076	63840	50833	74425	66482	45869	63065	64319	0	45781	58362	16751735	41874	15402	15276	37620	20329	44075	78007	65993	87691	152287	21082478	6861085	127524	2592022	416313	746	689044	668156	63984	17011	23374	91223	60989	64471	12039	75065	25515	368	53196	31224	Peptide	0.2	1.4666667	0.13333334
8	C18 H23 O1 Na1	279.17194	279.17255	0.29554772	279.17203	0	0	0	0	0	3888	0	0	0	0	1813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14731	1068	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6936	0	0	0	0	0	0	0	0	0	0	0	29899	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.055555556	1.2777778	0.0
20	C20 H22 O1	279.17435	279.17465	0.019364443	279.17435	9444	10267	8591	5881	3506	2159	11694	7248	4110	0	3866	9466	4138	3074	9929	14824	17488	3469	4637	2570	6105	8438	6365	8777	10071	10077	12674	3239	8888	8788	9004	5997	12947	4705	4532	11249	11855	11359	23387	7095	6364	6332	0	0	0	2967	6993	0	8739	8704	7616	8739	6585	0	3785	5190	4977	14828	4886	9538	11052	2103	4646	4465	3191	4258	2931	28895	4218	7052	10491	5729	8552	9856	25719	11774	0	6608	15661	10334	7776	4064	6857	0	6101	5797	14848	5213	5940	30778	8102	4159	14450	3336	4756	0	6837	8083	4101	9307	9867	17136	10453	6714	3127	11926	3241	0	14043	2152	Phytochemical	0.05	1.1	0.0
24	C20 H22 O1	279.17435	279.17465	0.11370374	279.17438	21089	19863	21253	19123	13903	10389	12540	30555	12234	9690	16655	18235	8815	12018	24792	37295	39295	11931	20278	12772	10213	13108	17899	21262	18473	31761	12326	14313	20178	28526	24834	26821	30479	23245	14646	28657	25989	21421	35362	10409	17243	20713	0	0	0	11931	16517	0	26772	30641	17669	16235	12458	0	8965	12393	10257	31778	9569	15777	35230	7533	5396	7792	8534	9851	17814	32164	18327	18590	28484	17409	17340	25517	30631	27484	0	17014	27368	15598	16240	11145	12903	13853	13833	12073	32937	14245	18432	47653	22287	13999	38911	12456	12564	0	18501	19001	13316	13103	18098	49325	16028	22405	9165	25719	11696	0	21189	9033	Phytochemical	0.05	1.1	0.0
22	C20 H22 O1	279.17435	279.17465	0.07120679	279.17435	12993	14240	13240	12931	9921	5893	11282	15872	6846	7031	8649	12670	3771	8015	20273	21645	30870	5587	13501	6188	9711	13982	13320	16156	17639	15001	17310	8466	16614	15982	13365	18647	20258	18647	6605	21107	16359	17429	37202	5513	13480	12538	0	0	0	6309	14737	0	18209	14622	16417	12382	9558	0	5263	8179	11034	19472	8043	14136	22368	4481	7961	6350	6948	5653	11497	33671	15763	14309	12317	10811	9164	19558	31163	18148	0	10788	20969	10963	17050	7961	10024	3897	9973	9888	27067	14564	11987	43551	19171	10358	20383	6959	11724	0	7642	15708	8926	9493	10903	41493	13844	18175	7242	13526	10569	0	19324	4259	Phytochemical	0.05	1.1	0.0
18	C20 H22 O1	279.17435	279.17468	-0.013739822	279.17435	5134	5823	5733	2252	2345	1730	10165	3813	1459	0	1609	3123	0	2341	3621	8472	15667	2273	2495	2367	2120	2214	3604	3749	3770	3188	7477	2680	6748	2320	3048	3887	5491	0	0	4164	1946	4900	20428	2932	1732	4013	0	0	0	1717	1960	0	2137	5585	5925	4562	2882	0	1636	4310	1739	4395	1663	4361	4584	1330	0	1916	2348	0	3002	19436	1557	3907	4782	1668	3144	3877	13116	4814	0	2249	7072	2929	5940	1786	3283	0	2973	2359	10799	3641	1964	15169	3643	0	7720	1734	2560	0	2712	3621	1517	4024	4052	5196	3867	2907	1438	5304	3473	0	9729	0	Phytochemical	0.05	1.1	0.0
26	C20 H22 O1	279.17435	279.1747	0.16369775	279.17438	12310	10972	12427	12155	10572	7524	6189	23805	7868	5349	11678	11274	5294	6254	19234	18259	16439	9094	16182	11192	7425	13210	13061	26407	12977	20871	8372	9738	15879	22115	20815	27296	25820	14088	9803	26741	32841	19602	18206	12650	10892	15235	0	0	0	7495	7028	0	15114	20359	14196	12929	10030	0	8146	0	9310	20891	9814	8695	18273	6000	4350	5772	4811	8994	12563	20165	15905	11457	14666	11159	12002	21819	16215	20328	0	11408	21690	13218	10837	6573	8921	7926	6049	0	24989	9346	9808	24023	11928	10242	24729	11621	10268	0	12797	13240	9646	13593	8529	35570	10356	13476	5706	16644	8094	0	15092	8122	Phytochemical	0.05	1.1	0.0
10	C13 H26 O6	279.1802	279.1812	-0.053878967	279.1802	0	0	0	0	0	0	0	0	0	2733	4089	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4578	0	0	3521	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	93509	0	0	0	0	0	Lipid	0.46153846	2.0	0.0
16	C13 H26 O6	279.1802	279.18054	0.08171036	279.18024	8093	7283	8912	9254	2200	14305	2600	25734	2579	5473	0	0	10845	59296	1392	8753	0	0	9485	8896	0	0	0	8695	3333	0	1338	7861	1481	31556	9508	16572	0	8211	0	26073	0	0	0	13319	0	34832	20485	2206	1763	56728	0	3130	19939	13962	9816	5317	2812	3377	6017	0	13231	21136	2110	1879	7709	0	6949	3407	53812	133376	214003	0	0	27829	0	8296	14048	27141	0	19836	1639	0	0	5668	0	7440	0	0	3997	12401	0	4562	14725	0	24898	5018	0	1286	14821	2088	11618	8769	13161	0	0	0	0	0	15374	0	1434	2644	1055	0	Lipid	0.46153846	2.0	0.0
12	C13 H26 O6	279.1802	279.18057	-0.05981606	279.1802	35754	39089	37953	29710	1775	1358	0	41265	0	34822	9282	0	3291	1093	925	47014	0	1448	0	53178	1688	0	2386	9010	1078	1501	1945	0	8672	9036	49716	245422	7550	27541	6103	12754	10599	0	0	60733	0	5539	5512	1855	1360	46285	52246	1329	125741	37106	39930	37852	1097	3736	0	2238	3389	52296	0	0	29278	4169	6616	216407	708	1449	0	5217	0	113574	6667	37801	47325	15108	10498	54785	1491	1203	0	0	0	1627	0	1593	0	0	0	2083	1998	0	66213	3887	1859	0	16834	1630	37485	30395	2135	0	0	1629	12580	1595992	35863	5646	0	1666	0	1604	Lipid	0.46153846	2.0	0.0
24	C15 H27 O3 Na1	279.19305	279.1934	0.50891924	279.1932	0	0	0	0	0	0	25761	0	0	0	0	0	0	14585	0	0	0	0	0	0	0	0	0	0	0	0	58234	0	1711	0	0	0	0	0	0	0	0	0	1350	0	0	0	3437	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2254	0	0	1280	0	16011	0	2760	0	0	0	1206	0	0	0	0	0	0	0	0	1982	0	0	5144	11857	0	0	0	0	0	0	0	0	0	0	0	0	1196	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	1.8	0.0
18	C17 H26 O3	279.19547	279.1958	0.042948116	279.1955	68745	68074	60751	58146	44659	40237	219775	57989	23564	41693	43095	40154	24554	66993	51247	95767	120744	41934	45101	41373	45431	43868	36093	50373	53868	112667	209945	55618	64436	60555	43243	68416	65935	55041	28403	67241	63627	47113	140967	25293	50335	60975	7970	1385	1671	32979	46973	2471	62611	55589	69213	70160	45152	2898	25369	40590	52205	89242	29428	59795	74840	21336	38179	25829	69364	50014	78581	137393	46986	42503	77068	36143	35234	65104	123155	72327	1714	28644	55045	76808	36768	42058	216821	241362	54231	71440	105995	45764	56006	179374	91353	71723	69834	37735	54081	2568	68492	62874	37180	53083	75520	72143	35207	54137	21736	54431	43806	1863	61869	23506	Lipid	0.1764706	1.5294118	0.0
26	C17 H26 O3	279.19547	279.19583	0.09224255	279.1955	169655	161013	170178	166633	181771	124568	420250	160990	137054	141746	190904	78981	166492	195191	168967	189135	137369	163128	199128	226936	213864	170468	90652	202271	187890	128852	366191	337524	235585	181525	146059	197067	213076	169068	192101	211266	199081	143936	148244	113986	113318	156910	19368	17408	36151	119840	111530	17975	227744	126432	170629	173172	149108	29332	146376	132418	124075	241404	155156	100925	262098	100882	142392	102487	126017	242797	278774	148947	83581	97103	92681	157855	145398	176980	109246	161232	29054	103212	132236	363194	83690	187423	225579	180684	143140	130568	237035	146196	162176	238685	431919	380320	181842	203831	182929	20816	177635	197528	140857	124376	163559	231524	79285	175192	244590	147320	137766	21712	151744	112752	Lipid	0.1764706	1.5294118	0.0
20	C17 H26 O3	279.19547	279.1958	0.063124456	279.1955	202345	233678	222766	193048	120689	114628	899982	217252	104465	153163	148063	131901	92309	324680	221831	294179	312870	123619	177269	177115	167652	175116	175353	171939	235958	402414	948620	199137	207022	203579	151720	200434	210161	157630	127801	218744	176972	173896	302815	110293	184160	162467	25821	4869	3886	116527	146248	5331	178631	186651	217896	209001	151295	9411	96880	134733	169714	270730	87522	170905	231641	78262	152289	85961	213020	168476	217197	279645	161402	170339	246376	133779	160781	231485	337462	191377	4046	109553	359545	327714	259079	120770	699695	847554	138925	169726	448530	138031	155614	635375	343445	255226	476261	135567	149763	9806	207401	236680	136490	149683	193113	270023	135379	181946	118877	276467	134013	4942	261897	102054	Lipid	0.1764706	1.5294118	0.0
14	C17 H26 O3	279.19547	279.19583	0.07074431	279.1955	10316	5938	7384	8111	3265	3677	15843	6501	2402	4950	2226	5084	3073	7978	5454	10693	17406	5309	2538	2255	0	6327	4928	4928	7033	4872	15690	0	5121	7273	6377	9245	5650	4816	1935	8234	9164	5678	15144	1471	4675	5800	0	1132	1083	1638	0	1843	7830	9849	7118	5802	5067	1311	0	3939	5282	11914	0	0	0	0	3637	2623	5356	4067	6244	18081	0	1913	5376	3401	4362	10249	13761	6170	1076	3720	8082	0	4942	4118	16807	18428	6359	5727	11604	4642	5388	26310	7715	4453	12123	2609	2608	1330	8218	7081	4059	7875	14071	6282	3674	4792	0	10162	4338	1203	11418	0	Lipid	0.1764706	1.5294118	0.0
16	C17 H26 O3	279.19547	279.19583	0.061965287	279.1955	19681	21334	22407	24477	14274	13283	56857	19478	7694	6730	10483	12268	9786	26480	15287	35885	52416	8256	12497	5934	9303	13880	12201	17997	17783	26717	54582	18030	18377	25627	20994	19109	25506	15917	10157	24451	19309	13987	59394	5385	10470	18718	2690	1291	1477	8080	9960	1872	27708	22296	23515	21589	9522	1759	9494	11764	13695	41364	6061	21009	22010	3716	9753	10406	18786	17388	21114	51309	10214	8241	15031	10840	20465	26765	48018	22797	1146	11514	27381	26647	14105	12521	68830	72292	18778	18750	40415	14692	18002	66226	32006	19823	0	8747	10745	1885	18538	19589	10508	22792	26854	25368	11854	15180	7827	20148	15777	1037	23655	9412	Lipid	0.1764706	1.5294118	0.0
2	C16 H26 O2 N2	279.2067	279.2072	0.05545539	279.20673	4473	5225	4073	4125	0	0	583	3705	0	2123	1443	1283	0	0	775	5538	2329	373	0	2260	2586	50340	1350	5119	1497	703	0	1323	2007	2115	1638	3767	2191	2737	2366	1969	2659	899	2483	2454	1535	0	0	0	0	1259	1221	0	3400	1745	4223	5165	0	0	0	0	0	4346	0	0	4308	1116	0	0	0	0	731	2315	0	835	951	1519	1958	2291	3337	2438	0	1803	2448	1881	1205	0	368	1759	0	263	2189	736	679	163535	5132	2874	185170	2121	3562	0	4424	5551	0	0	0	3113	1007	2963	960	6494	0	0	1922	0	Lipid	0.125	1.625	0.125
6	C16 H26 O2 N2	279.2067	279.20715	0.024961725	279.20673	4768	6199	5602	5313	880	680	2792	10291	0	4825	1254	1502	0	431	2829	53106	4850	858	898	3353	4019	5841	3202	85236	4578	991	1922	0	4981	3012	3699	7350	5554	5972	3903	5318	4157	0	6708	1718	580	1383	0	0	0	8093	2115	0	5273	2756	5380	5041	751	0	0	0	0	35242	0	0	41604	0	0	0	0	948	492	9019	0	3915	2528	3067	1801	2967	4422	3104	0	1791	2437	0	1762	0	0	1245	0	0	4364	0	1059	53767	5250	0	46207	2410	4479	0	5130	5138	0	0	0	4870	1189	1766	0	11988	0	0	2845	935	Lipid	0.125	1.625	0.125
24	C18 H30 O2	279.23184	279.23218	0.078311674	279.23187	193670	211728	177878	184839	81511	290829	1890205	157782	24998	128356	177063	44069	69322	1080321	47677	118521	127655	55830	117161	61376	53139	61366	32628	53292	40019	267005	1846687	423521	82778	173670	73852	139408	201614	68772	51397	137643	80131	55954	134267	74798	156173	300255	94002	32419	31618	125395	142050	30193	260886	547302	189893	187492	50428	168979	22175	137489	234049	117230	33993	333471	243377	50435	383260	22703	882507	148304	230425	158943	84635	85121	110897	111422	68525	201019	79808	312053	32066	48018	49325	1731464	41123	193591	402067	534518	65156	143029	109683	157755	150153	205744	710069	505469	161331	233872	223032	52524	188631	204101	211302	45449	137135	72124	44071	142687	80560	61837	92472	34190	71943	385409	Lipid	0.11111111	1.6666666	0.0
22	C18 H30 O2	279.23184	279.23218	0.07639888	279.23187	43509	45080	31061	41222	17805	62302	269620	22648	2086	64978	18384	5057	15855	94396	7312	37782	36851	13607	10341	8233	14014	8614	3644	8938	5735	32200	269495	48395	16069	46059	12981	41276	70345	14624	15092	30323	18789	8054	33177	12084	23809	51605	13084	4765	3561	29223	46444	2624	115198	189852	43512	39076	6114	54176	2084	7903	14600	29137	1367	160452	31058	3104	53047	3139	65415	57793	21959	50980	4844	7941	10948	15995	7324	21188	24613	130145	4814	4295	5745	1035961	3444	19193	80393	116137	7138	9479	20030	57909	12192	56283	286515	130789	76274	77510	133355	9563	29118	41882	12803	5619	9390	11907	6512	13278	6646	12560	6311	0	10689	117555	Lipid	0.11111111	1.6666666	0.0
26	C18 H30 O2	279.23184	279.2322	0.094901636	279.23187	181377	168089	170098	153511	87009	181196	968985	128106	74664	111919	267447	81134	81771	476866	96934	108297	146821	73893	86211	98606	93809	75093	66269	65765	74562	179089	1001134	691179	108052	161968	89751	131168	187128	79591	80008	140253	79707	110646	147572	86344	167610	183870	119771	106684	100705	129306	140137	79120	224045	270094	177839	167296	69458	156110	60654	144062	324313	123665	93887	244198	139093	99296	189795	72474	626973	146052	184859	164225	131322	84375	96416	84131	79621	141148	84096	223326	122974	75152	77508	802257	72902	223680	204548	239521	220426	306556	150211	139543	94667	166759	566474	422035	126525	155705	147812	91637	181197	197557	161833	207843	670541	102533	81753	133381	214460	72493	285227	82713	114162	265879	Lipid	0.11111111	1.6666666	0.0
20	C18 H30 O2	279.23184	279.23218	0.122461796	279.2319	2289	3188	2277	2553	0	3334	33431	1934	0	6162	0	0	0	8341	0	2822	4674	0	0	0	0	0	0	0	1737	4204	29379	0	0	2796	0	1961	3783	0	0	2119	2387	0	5059	0	1907	3855	1121	793	648	0	0	803	11763	8500	1993	3423	0	2604	0	0	938	2122	0	9533	1956	1102	4589	0	3533	4097	1495	4230	0	0	0	0	0	2411	1972	9007	454	0	0	8440	0	0	19483	26447	0	1521	3103	4846	0	11027	8414	0	4205	0	9211	955	0	0	1660	0	0	1529	0	0	1353	1571	0	0	0	5845	Lipid	0.11111111	1.6666666	0.0
26	C19 H34 O1	279.26825	279.2683	0.094755284	279.26828	0	0	0	0	0	0	18874	0	0	0	4848	0	0	12018	0	0	0	0	0	0	0	0	0	0	0	0	20583	4958	0	0	0	0	0	0	0	0	0	0	3413	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3691	0	0	1822	0	15878	0	2069	2809	0	0	0	0	0	0	0	0	0	0	0	5736	0	3187	0	2475	0	0	4350	0	0	0	1934	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.05263158	1.7894737	0.0
10	C11 H9 O4 N3 S1	280.03867	280.03903	0.25770614	280.03873	2726	1169	1038	1524	0	0	18303	0	1896	0	0	1916	0	0	2218	0	22790	0	2157	0	0	0	1184	0	6011	0	16976	0	0	0	0	0	0	0	0	986	0	2394	26860	0	0	0	0	0	0	0	0	0	0	0	2275	2020	792	0	0	0	7785	1179	0	0	0	0	1454	1079	8740	0	0	34917	0	0	0	0	0	0	12028	967	0	1031	3027	0	2311	0	0	0	1187	14140	4151	0	0	18084	0	0	6391	0	0	0	2614	2376	1246	688	0	2374	1977	0	0	2190	0	0	4202	1843	Organosulfur	0.36363637	0.8181818	0.27272728
12	C12 H9 O7 N1	280.04517	280.04556	0.14368626	280.04523	3907	4351	3580	7213	10965	7942	3271	2810	11361	0	1975	3175	17750	6398	3049	6434	4764	18839	17156	1885	1287	5373	8026	3881	1178	0	2158	0	3229	2282	3698	4010	7800	2168	3058	1971	8323	3548	6008	1225	0	7910	0	0	0	1410	0	0	2527	2133	4991	6267	8993	0	11157	6904	5443	6967	0	0	0	0	26784	16498	5647	14104	10300	5658	0	0	0	3304	2081	1522	6525	1278	0	4125	6937	0	4342	0	0	0	9134	5398	5944	11997	11468	12848	2754	4041	6388	2930	0	0	7167	5976	8089	9317	5102	9581	4087	0	0	6911	7449	0	1305	31580	Phytochemical	0.5833333	0.75	0.083333336
14	C12 H9 O7 N1	280.04517	280.0456	0.24530116	280.04526	5916	5800	3341	3455	12342	7601	2421	2769	12115	0	1480	7341	17827	8552	2784	7828	4590	19060	14306	0	1523	5877	6326	0	1770	0	3456	0	2982	1418	2370	0	9254	3986	2537	4126	9528	2357	7899	0	0	6523	0	0	282	0	0	0	4467	4023	5575	3802	11537	306	11016	4186	6873	8522	0	0	0	0	22289	15603	6803	16765	10166	6056	0	0	0	3531	4338	1494	4729	3962	0	3003	5914	0	4291	1043	0	0	7815	5016	6786	10961	12657	8159	4249	0	7047	0	0	0	3031	7488	7130	10499	9730	6798	5966	2889	0	9609	4759	0	3120	21641	Phytochemical	0.5833333	0.75	0.083333336
10	C12 H9 O7 N1	280.04517	280.0456	0.20313479	280.04523	4224	4725	3611	5162	7902	5459	1413	1485	12900	0	0	3250	12907	3991	1797	3484	3689	11901	12943	0	0	1849	4904	2275	0	0	1600	0	1405	1568	1311	1710	4856	3285	0	0	5760	2672	5288	0	1372	6246	0	0	0	0	0	0	0	1096	4611	5845	6976	359	10170	7638	3859	6277	0	0	0	0	17682	14276	4559	14785	5658	7190	0	0	0	2024	0	0	4916	1494	0	2355	2128	0	3180	697	0	0	7232	3053	2407	10929	11277	5404	0	2095	5699	1664	0	0	3442	3608	5760	7698	6044	4950	2801	0	0	5163	4522	0	819	21366	Phytochemical	0.5833333	0.75	0.083333336
20	C13 H13 O4 N1 S1	280.0638	280.06415	0.13615055	280.06384	4726	1592	3438	0	2353	2221	3562	2761	0	3246	0	1345	0	0	1425	9114	6742	2927	2350	3341	2265	4322	3526	6830	2349	0	2845	0	3237	0	1787	2746	4280	3868	2440	0	5652	1309	8177	3998	5546	4606	0	0	0	3145	4221	0	4309	1393	2328	2364	4388	0	0	0	1623	11209	2763	4804	4318	3673	0	0	1850	0	1540	5994	0	0	2332	1206	2553	0	2258	1326	0	1590	4163	3452	2173	3360	5303	0	0	1176	4436	4666	3767	20170	5392	6468	14529	3994	2608	0	4485	3212	0	0	0	6186	0	3727	1771	8537	1265	0	5372	2659	Organosulfur	0.30769232	1.0	0.07692308
4	C13 H13 O4 N1 S1	280.0638	280.06436	0.2770192	280.06387	1607	1806	1497	2059	3239	815	425	507	1479	2784	1895	316	3068	1604	671	1646	0	2053	2480	2007	2704	6337	617	1794	548	922	0	0	0	379	427	0	827	0	4199	0	949	493	977	3407	4915	925	0	0	0	2121	4120	0	0	0	1764	1010	2056	0	1374	2317	624	2347	556	1796	0	2314	1935	1541	0	2002	979	0	1719	0	2198	0	0	0	0	0	0	268	1039	0	599	1164	928	1910	2016	832	1138	1177	986	1393	3842	3180	21785	4582	6197	0	778	1533	1387	2652	2959	821	523	1082	0	3114	2644	0	681	3054	Organosulfur	0.30769232	1.0	0.07692308
2	C13 H13 O6 N1	280.08157	280.08212	0.22856061	280.08163	6816	6731	5632	7055	16375	0	2882	6174	19558	5986	7753	5812	26551	7329	4525	1847	3776	17954	18285	3929	10864	10421	6167	5502	2264	1679	0	3448	5805	3441	6154	5790	9385	4505	10353	4907	6112	4436	5380	6398	7903	8957	847	789	1420	3948	5298	1371	3893	2915	6459	6711	12105	896	20840	11526	6540	7240	2933	4624	2686	3892	35830	22517	6195	23520	9729	5764	3886	3481	4805	6357	5810	3353	1444	6234	956	3894	5524	2860	4942	3353	2734	2284	13660	5589	5127	15059	11222	11681	4958	4122	10858	6002	1843	2066	7151	6176	10541	15882	14308	5615	5973	4122	3973	9126	8083	568	3827	41466	Phytochemical	0.46153846	1.0	0.07692308
8	C13 H13 O6 N1	280.08157	280.08203	0.18896966	280.0816	137956	166077	103419	151141	176386	99822	60791	92778	212142	156450	130711	85131	281559	57428	74351	161183	126859	230825	256505	123306	177350	238009	98430	114750	44676	40029	77691	64846	83491	68607	77526	97770	142736	88525	214017	69239	137568	77029	175728	169697	305102	125907	3044	1034	1491	101602	139711	1384	109409	78192	138636	149962	150938	1836	278910	161811	102521	134441	70879	114225	132424	127762	306305	281077	82647	224591	119362	158779	118754	88110	199140	85271	78237	53904	87601	90420	842	63066	116352	94971	81065	72630	52631	62850	149179	77240	115682	154752	156713	229653	50698	112130	210850	180833	174998	2306	142150	139895	138556	180903	149663	136582	80445	106203	45947	131645	123235	1107	62308	427232	Phytochemical	0.46153846	1.0	0.07692308
20	C13 H13 O6 N1	280.08157	280.0819	0.15906486	280.0816	11018	8505	9623	7948	16701	14019	9795	5311	8149	5292	5323	8080	15909	7835	6714	11260	11019	21378	14808	4390	2354	12139	6983	15874	11426	2003	3888	2328	9134	5706	8434	5127	15466	10195	8240	6319	15364	6881	12199	5832	5158	13739	2818	2566	2483	2467	4726	4339	6240	5751	8665	6946	12852	2221	11046	9434	8282	10341	4281	5604	11743	3598	20516	12149	6007	16111	12003	12099	0	2080	4488	8247	7322	3675	8033	5188	1960	9021	14943	12343	12536	4691	3304	0	12381	9252	10918	15948	11425	19981	5780	9189	26332	9241	10188	3062	5606	10921	11894	9415	11729	8969	7280	5664	2338	16026	10233	2679	9813	14445	Phytochemical	0.46153846	1.0	0.07692308
14	C13 H13 O6 N1	280.08157	280.08197	0.16572689	280.0816	126274	126004	113525	119039	146213	110718	77357	84994	130926	105168	77816	69304	225005	75675	80746	120614	111286	241513	189445	62031	91221	185914	85768	115861	72507	20738	74918	57740	77075	69971	74295	89143	146547	87916	124556	68651	150730	72243	109120	117899	149542	108915	3929	2019	2169	74758	86733	2636	87805	64569	119475	105781	131640	2021	170945	95367	75975	149189	76280	70871	108312	81021	208581	198082	63511	198384	103919	109513	46787	50874	84604	73534	72278	56224	70551	73549	1463	70850	101705	92320	80962	54668	56649	53877	117225	69380	119665	139815	137800	222934	110272	122229	224075	118026	122302	2988	124882	106987	80309	105115	92806	125164	73188	90297	28578	142435	86063	1987	77677	262874	Phytochemical	0.46153846	1.0	0.07692308
6	C13 H13 O6 N1	280.08157	280.08206	0.17660409	280.0816	73487	85918	66818	76850	107520	45756	28678	47916	133015	88135	75863	38244	162892	35263	37075	81123	54254	146081	148307	61541	117625	119772	50364	70070	20197	20032	31565	32672	38379	35096	38891	42215	77619	43134	107280	36204	68463	36071	76532	71146	152771	65820	1687	822	1407	53353	79766	1055	59817	32926	75752	76724	82692	1510	146509	101881	54759	80558	35362	67751	75206	66082	203293	127021	44783	124026	69820	74852	57138	50895	100733	38687	38171	25576	28419	36764	731	27711	49936	32186	31938	32170	26338	31945	95839	50465	54356	84677	72584	133105	28902	52592	106838	81503	87316	1315	68714	65025	73460	106491	99961	68418	36253	56027	41779	65922	80559	929	31423	282012	Phytochemical	0.46153846	1.0	0.07692308
12	C13 H13 O6 N1	280.08157	280.082	0.15203774	280.0816	163050	167908	181503	172662	182557	132555	96772	114736	197693	147269	122765	77524	254577	71247	93299	177804	145058	315843	314498	125733	167783	296119	127791	155064	79931	33371	88601	72966	110783	98194	105536	120708	197571	96217	189379	93953	196183	95119	184720	164441	281822	141017	4422	1832	2344	109806	134205	2264	136289	91227	173699	171421	180364	2316	249945	128940	98474	186089	93448	118096	169356	109646	307886	241685	77915	249897	143861	160611	85926	75479	135002	94039	93243	73848	130566	100582	1227	89718	126829	150371	107846	73512	74273	69974	136717	89795	161106	150638	155554	316481	145049	171950	301342	187179	216301	3285	177184	173660	119030	139850	129333	185873	79618	110935	52963	178618	133814	2143	86282	440961	Phytochemical	0.46153846	1.0	0.07692308
16	C13 H13 O6 N1	280.08157	280.08194	0.15388702	280.0816	74596	73758	71053	73465	97429	74959	50272	57482	84332	44892	35571	46894	125236	43887	51915	77586	74226	144754	132103	27640	39560	105857	61988	86221	45442	9340	44890	27921	54339	46400	48908	63327	100206	52279	57246	52210	114602	40574	76354	44828	69402	68439	3540	2787	2542	29511	37070	3183	68442	44343	70443	69632	82443	2617	106001	56989	54934	96484	31728	40543	72704	27186	120236	103046	34466	121616	73549	71555	18564	21851	24923	56792	47784	30877	57124	51997	2114	42502	74835	76726	44250	29933	29459	21267	64980	48083	84857	88108	87789	127924	50569	63095	149419	53286	62270	3421	69081	56903	53760	55702	62570	95433	45752	37892	18967	95228	57501	2701	50433	174075	Phytochemical	0.46153846	1.0	0.07692308
4	C13 H13 O6 N1	280.08157	280.0821	0.16753823	280.0816	18252	20093	17669	18175	29756	14766	6436	14458	39359	17831	21659	10139	54258	12640	10812	14913	22181	41879	37671	17629	26837	30932	14537	18547	6858	6523	6842	6134	10718	8316	12166	11002	20539	8082	24222	10497	15425	11388	22224	18481	32285	20948	1607	935	1692	13536	22040	1487	12650	12285	17636	17231	24164	1252	44415	43130	18534	17627	10437	17343	15487	14054	65513	46311	19236	35719	17500	23012	12293	10418	15642	9805	8581	8657	5460	11163	720	8175	14070	9903	10545	10842	8117	6078	37097	16527	13909	25775	25870	25563	13104	12851	26790	16935	18821	2713	18145	22361	35684	50239	42152	14672	10432	16988	13534	16548	27241	1277	7166	72840	Phytochemical	0.46153846	1.0	0.07692308
18	C13 H13 O6 N1	280.08157	280.0819	0.13223493	280.0816	27833	28867	27425	27265	39157	23385	22002	26412	29726	15235	11183	23807	38573	19769	25334	40919	30084	56139	53789	6452	14274	32797	24386	30450	19750	1759	21878	11072	31269	19556	20911	23967	42660	28933	17687	18204	45558	22840	34307	17207	32068	28752	2760	1817	2820	18378	14747	2321	30318	18032	28231	28048	31072	2600	38340	21358	23559	40269	11996	12968	41273	11398	44667	42094	20735	49107	30152	36678	5792	7415	14231	21648	19549	17368	24591	21905	2031	22940	29129	31479	27364	13656	12544	7116	34533	22929	37285	36582	37042	49273	19208	23460	54678	25588	27349	3207	31351	28563	18203	26190	26163	36934	19315	11690	9580	40835	21110	2044	26613	66495	Phytochemical	0.46153846	1.0	0.07692308
16	C11 H13 O2 N5 S1	280.08627	280.0866	0.054064307	280.08627	0	6425	5654	7257	0	9388	22162	6000	0	0	0	7262	0	8438	4498	20975	87540	4082	5569	0	0	0	2358	7088	9434	0	24474	0	15464	8789	10193	41977	30851	33541	0	17402	23677	5568	86276	0	0	7098	0	389	0	0	0	0	24560	6209	7004	9348	2410	0	0	1514	1288	11976	0	0	15275	0	0	1162	5323	2375	10740	124052	0	0	0	6586	7331	3706	47744	7326	0	8520	2651	0	5695	0	0	0	2020	4333	6128	35516	12693	0	0	0	0	0	0	0	8619	5910	1630	1746	2045	41625	7691	0	0	17728	1135	0	8245	2568	Peptide	0.18181819	1.1818181	0.45454547
6	C12 H13 O5 N3	280.0928	280.0933	0.17387572	280.09283	20139	20910	17885	20907	20624	12314	10456	16344	22564	12910	11723	12078	23852	7345	16335	23305	23632	30926	33542	10722	18069	30586	20053	26868	9407	1606	10415	4612	13966	11249	14651	14461	25432	13093	16709	10660	20908	15690	25777	12741	23093	14096	0	0	0	13234	18360	0	18839	14354	20809	20036	18763	0	29360	13466	14158	25166	12751	21009	23734	8879	33414	19201	13027	24650	18291	32358	3672	6311	9588	12597	12810	8180	8923	10744	0	10169	18889	5089	13871	9461	9393	4301	20208	12837	19462	24165	18252	56116	11518	20175	48942	14386	17123	0	22770	17917	11997	15343	17733	20075	14055	17344	0	25352	16485	0	15957	39769	Peptide	0.41666666	1.0833334	0.25
10	C12 H13 O5 N3	280.0928	280.0932	0.11559212	280.09283	11523	9079	12116	10123	11120	9054	8855	11013	11146	7796	4110	9164	13102	4276	8442	12540	15320	18949	14142	6423	6718	18804	11051	13279	9038	0	7087	2873	7590	6445	8026	8585	12638	8908	9094	5146	11138	9416	17343	13112	13160	8390	0	0	0	6523	8266	0	10315	7875	11064	11682	13976	0	14804	6503	6593	17128	12779	11548	18302	8469	16336	13111	6410	13302	8145	16547	0	3723	3579	7199	5029	4022	6436	5798	0	5041	12968	7712	9000	5175	5051	2107	10767	6113	12622	9801	9681	33169	8313	9366	23833	8723	9421	0	7670	11467	7113	6063	7686	10749	7349	8398	0	17775	8777	0	11792	22345	Peptide	0.41666666	1.0833334	0.25
4	C12 H13 O5 N3	280.0928	280.09335	0.16158977	280.09283	8992	11413	7915	8851	9264	5752	5053	7606	11757	6069	5738	8276	12721	4858	5926	8887	14762	15819	12754	6655	8086	14602	8513	9447	4445	1316	5043	0	6066	4265	5804	6286	9519	4427	8901	5826	8800	7604	18784	8058	13673	7629	0	0	0	7172	9216	0	7285	6596	9944	8301	7659	0	15677	11007	7670	8292	6421	11039	8926	6195	20370	14020	8339	11043	8153	14667	2623	3400	4596	4933	4039	4067	4738	4890	0	3868	8128	3896	6765	4760	4313	2785	14526	8244	8210	11889	8775	21971	4723	6641	24530	6789	5587	0	8266	8110	9245	11593	11231	8156	5419	8620	3848	12037	10011	0	5825	20066	Peptide	0.41666666	1.0833334	0.25
10	C14 H17 O3 N1 S1	280.1002	280.10117	0.63330215	280.10037	0	0	0	11435	0	0	10145	0	0	8049	5500	0	0	0	0	0	0	0	0	9883	0	20586	0	19002	0	7560	0	4203	10271	0	8362	11383	0	0	11506	0	0	0	0	11000	0	0	0	0	0	5887	11248	0	0	0	0	0	0	0	0	7566	6302	0	0	11069	0	7004	0	0	0	0	0	0	11245	7544	10667	9624	0	0	0	8509	0	0	14912	0	0	0	0	7501	0	0	0	12241	11621	29479	10312	10991	0	10945	10801	0	14096	13993	0	8546	8091	0	0	0	0	0	0	0	12835	18416	Organosulfur	0.21428572	1.2142857	0.071428575
20	C14 H17 O3 N1 S1	280.1002	280.10052	0.2430967	280.10025	2537	4882	2940	3010	2989	1399	0	0	0	6961	9535	0	0	2160	0	2256	1659	2303	2116	13691	3924	10674	0	2052	0	6970	1852	8791	0	0	0	0	2476	2454	7301	0	0	0	1534	12714	22299	0	0	0	0	5367	9788	0	2330	0	2451	2763	3149	0	0	0	0	2211	3720	7959	1546	7429	0	0	1205	0	1619	2177	4897	4431	4076	0	0	0	1929	0	0	0	0	13087	0	6145	3402	11867	1399	0	1673	1603	1197	3604	14116	15641	0	11891	10702	0	1856	3505	0	1372	1364	2539	0	4585	4036	0	0	0	1620	1568	Organosulfur	0.21428572	1.2142857	0.071428575
8	C11 H13 O4 N5	280.10403	280.1044	0.07579104	280.10406	13697	13468	10351	12778	13821	84609	2190	37030	1524	1802	0	1770	8974	12283	6690	8238	2284	24361	22936	0	0	13189	5747	25798	10242	0	1810	0	55077	15984	38745	51161	0	40644	1419	38023	39467	1509	3495	0	0	14985	0	0	0	3116	0	0	30761	12790	13194	11593	22288	0	0	0	962	22968	0	0	14956	0	13422	3627	0	28939	33110	3778	0	4044	0	35002	33600	27436	2341	20251	0	8459	2453	0	2226	0	0	0	0	0	1467	5312	26804	5114	79143	6789	28331	0	0	0	14573	11352	0	1780	0	23130	5278	0	0	18064	0	0	1938	15589	Peptide	0.36363637	1.1818181	0.45454547
2	C18 H17 N1 S1	280.11545	280.11588	0.46844393	280.11557	248432	236974	201380	228452	328760	207896	111464	193396	331062	273878	281018	189828	490472	124220	132566	141118	298470	396756	373136	251442	432450	343244	179244	191242	77816	83840	88096	132610	212836	153166	204594	192702	335450	174666	375832	182236	265548	129616	331160	237334	296384	229978	6626	5344	9162	129288	186242	6662	206434	142626	219064	242004	277886	7044	396112	230754	148640	228710	101964	207848	155782	134302	495754	400814	128992	415914	262646	344592	168798	171226	240924	179008	216756	177246	130074	192102	7248	129056	166900	201192	139168	100930	94064	90598	224198	135804	169534	273588	286140	304158	131466	180046	325662	413336	174100	14152	230436	243684	208438	287604	273820	235560	173344	397608	121148	253148	211680	5826	107312	619656	Organosulfur	0.0	0.9444444	0.055555556
8	C18 H17 N1 S1	280.11545	280.11606	0.6566541	280.11563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1228	0	0	0	0	0	1321	0	745	0	0	0	873	0	0	0	815	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1000	0	0	0	0	567	0	0	838	0	0	0	0	0	0	1013	0	0	0	0	0	1107	0	37509	1284	0	0	0	0	0	0	624	0	0	0	0	880	0	0	0	0	1568	0	0	0	0	0	0	677	0	0	0	0	0	0	0	0	1345	0	Organosulfur	0.0	0.9444444	0.055555556
6	C18 H17 N1 S1	280.11545	280.1163	0.85889083	280.1157	0	0	0	844	0	820	0	0	0	0	0	0	0	0	634	0	0	0	0	0	0	0	0	0	611	0	0	0	0	0	0	0	0	0	0	0	0	999	0	0	0	0	0	0	0	0	0	0	0	1110	0	0	0	0	0	0	0	0	1105	0	0	0	0	0	0	0	0	0	0	0	0	906	795	0	28333	0	0	0	0	0	0	0	370	0	0	0	0	0	709	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	0.9444444	0.055555556
12	C18 H17 N1 S1	280.11545	280.11606	0.7178859	280.11566	0	0	0	0	1008	0	0	0	0	0	0	0	0	0	904	0	0	0	0	0	0	0	0	0	0	0	0	24296	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1070	0	0	0	0	0	0	0	24019	0	2463	0	0	0	0	0	0	0	0	0	0	0	1437	0	0	0	0	0	0	2176	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2385	0	0	0	Organosulfur	0.0	0.9444444	0.055555556
8	C14 H17 O5 N1	280.11795	280.1184	0.141993	280.11798	506595	583429	428972	545771	393162	276937	332812	461853	400225	603172	356052	330232	466022	167110	335638	628979	529367	503974	641610	739132	798878	735108	371365	582313	276424	509720	350401	279353	466745	426584	407900	522963	660656	463681	783442	442974	672185	335171	685007	734597	809198	361477	7936	3418	5308	459901	519276	3883	589118	403161	481957	525021	384240	4618	561412	265714	244000	539275	331492	415060	503924	469685	440439	461451	178594	458385	341244	597684	557733	724478	827686	421904	449591	367246	381658	471369	3307	304614	412625	284862	326429	350227	342681	403158	295384	222888	418447	391274	429901	765144	363094	531803	847870	449984	600056	6959	522015	521602	278474	331264	304179	604296	322501	505683	198839	523014	305282	3344	329324	582671	Phytochemical	0.35714287	1.2142857	0.071428575
14	C14 H17 O5 N1	280.11795	280.11835	0.113917954	280.11798	585126	583518	507731	588623	345791	298058	400508	480046	248155	891878	532549	315837	338811	173126	310982	547142	474193	503060	444689	846384	862109	906552	289902	505693	318150	372298	366372	479215	466787	462857	470617	649033	719270	584627	1045446	514710	799080	269768	513065	1016704	936343	611502	9984	5704	6080	423874	389932	6444	626328	396021	550751	524211	353287	7001	352335	178497	227834	730282	371018	379509	489169	545243	310040	309791	151967	426390	328336	529454	354307	616873	740034	499506	506958	444093	430254	490799	3908	332775	301896	499370	266078	288403	446810	658884	203037	177684	366950	447372	494308	766905	673398	741504	818169	552888	794042	9221	561076	505730	194646	184629	190054	610399	329494	566207	240864	612447	187026	5830	345480	404110	Phytochemical	0.35714287	1.2142857	0.071428575
16	C14 H17 O5 N1	280.11795	280.11832	0.13945906	280.11798	246608	261851	251587	246331	200316	196575	171484	235718	143520	354306	222629	150824	193637	103832	180970	283058	247947	294549	273758	310025	368356	411232	197012	306750	195436	132594	162554	253507	253116	213339	257152	267816	357685	268662	397382	251640	397443	151284	258934	395270	434895	511575	11497	6228	8288	191572	176824	7053	321166	215328	257513	230695	212906	6620	151549	102531	111840	353517	177267	168226	290096	235675	170837	142557	87567	237263	213420	243035	141154	218850	234972	249899	241694	197676	193989	229028	6363	146505	196581	305278	138917	149506	167192	259335	117333	118700	230607	224537	233144	360574	292540	367597	448180	265694	373828	9177	242281	254897	98669	110011	117591	351649	139900	210785	96634	315958	128835	6085	192204	253093	Phytochemical	0.35714287	1.2142857	0.071428575
0	C14 H17 O5 N1	280.11795	280.11853	0.061286002	280.11798	15682	14676	14399	14522	19673	13489	8944	18840	20204	13136	11698	10385	28200	11077	9859	6233	18370	28907	26597	13464	24770	17420	13523	15604	7832	8187	5924	8776	16002	9455	13978	14385	25962	14598	20197	19180	20740	9884	20338	11739	14682	28267	3172	3852	4666	9518	9467	2608	18198	10072	14456	15421	22661	3211	23053	21626	11667	22967	7566	11993	12542	8046	24850	25655	15590	22257	22237	21176	10688	10926	10379	14801	22527	13820	8219	22222	3671	8388	11132	6250	7066	8313	8079	5344	16588	13328	9173	22419	20448	11158	12207	11281	21445	10675	10504	4354	14155	17741	13232	19544	19015	17476	8655	11686	7771	18898	20257	3513	7849	40412	Phytochemical	0.35714287	1.2142857	0.071428575
10	C14 H17 O5 N1	280.11795	280.11838	0.102052286	280.11798	596531	567000	541551	512487	392351	319217	381802	544854	410903	716865	408631	365056	468359	182995	380178	682777	564033	609313	622500	790930	893363	896315	414566	625399	366212	599828	457567	338347	530697	466568	434092	541892	751834	509337	800966	496092	706068	351058	705321	857302	924186	375407	13155	5355	7136	513651	534144	6264	597970	449048	581170	588042	399561	7651	605988	299914	218246	722660	420064	525050	698670	517209	402471	431468	199738	479992	364563	710686	633780	885826	929507	459850	436945	416489	544154	470310	4901	318863	474905	391776	402803	399656	445064	448048	349388	274135	514632	409666	414573	806410	491568	606030	917941	542699	925794	9463	577064	590354	283671	303785	291934	651788	356741	632241	267304	582661	324313	5729	398941	594750	Phytochemical	0.35714287	1.2142857	0.071428575
12	C14 H17 O5 N1	280.11795	280.11838	0.097336516	280.11798	624363	745311	711744	670109	358033	321885	452009	604611	348422	859326	514051	308566	375889	182869	370625	830215	607641	579959	612420	980835	966213	1047037	380518	786238	373012	534959	407576	407154	625206	588908	601230	727394	836035	646531	1014778	610762	914551	351028	699210	957736	1079404	392521	11409	5248	6136	555956	525179	5678	823172	562957	702954	704932	408909	5376	488004	224367	240970	777895	443612	472675	685389	540969	415370	365425	176889	461710	350505	628126	536454	847353	916164	578579	574099	560591	601179	625479	4153	384019	382856	449068	328218	382224	463746	533728	249346	233005	446760	413397	433988	803670	746225	843201	1031879	543967	973470	8400	711040	677613	256985	243524	245861	856804	356514	665721	261259	674126	281070	6047	358654	598878	Phytochemical	0.35714287	1.2142857	0.071428575
20	C14 H17 O5 N1	280.11795	280.1183	0.1316264	280.11798	32820	32378	28681	27995	32282	27269	20007	28727	21869	32346	19620	21833	29148	23485	29244	35338	26086	34428	30265	24396	25474	40583	29117	41322	22945	3894	20330	29774	32949	23083	30391	33560	51005	37515	36032	26426	46610	21216	29182	44154	42177	32611	5877	7539	6176	20243	19932	7543	37617	23376	33491	30446	28775	5288	25167	17181	18229	46374	19942	26148	41816	20317	23236	24595	14690	33868	25365	30626	11211	16086	21331	31587	26474	21475	25652	25008	5257	21498	24890	39050	22813	14383	23143	16338	18698	15521	29315	34878	32173	37957	47355	46414	52451	32017	34885	6625	29479	28637	18502	18877	20976	44439	24955	32409	16273	41344	19155	7438	22065	37245	Phytochemical	0.35714287	1.2142857	0.071428575
18	C14 H17 O5 N1	280.11795	280.11832	0.14117402	280.11798	96258	94012	88875	91792	87552	71708	68244	90030	42850	113226	69132	58106	90361	49878	63501	129864	90305	109688	106428	76316	92783	147541	76101	127329	62937	29470	61252	73771	98842	80187	93257	96684	155293	110350	110057	101747	161415	56635	102670	118142	145217	80684	7884	5228	7140	62417	61304	6202	123436	73876	91026	93522	84348	6121	69986	50015	43532	144211	55227	60655	116017	83387	79447	62525	35420	98871	79353	98416	41119	52924	84299	100027	73291	74775	84747	87721	5321	54633	74914	115199	56468	45345	59383	61983	58333	49547	81335	100047	87147	118372	114675	119800	146755	91190	128614	8104	81593	80940	40739	51892	50490	120608	55332	86684	36436	106105	45484	5886	62032	91330	Phytochemical	0.35714287	1.2142857	0.071428575
6	C14 H17 O5 N1	280.11795	280.11844	0.12923479	280.11798	452227	515543	456492	460457	324821	262255	360023	477462	353152	549855	314182	270443	434242	162415	412111	552264	316004	558513	570518	548178	706973	566067	325133	547088	243005	311508	318935	239962	544517	465967	529315	599906	898767	542928	687738	542918	807358	366726	444787	386317	598680	332783	6381	2880	4232	369820	400105	3033	613000	410319	487015	477616	374718	4861	449898	220336	206963	589308	228587	350580	550188	321668	430183	326097	145612	421960	354830	438482	398176	503487	670274	433428	495217	534621	292541	449437	2858	316128	258104	165485	228357	243021	238130	269113	254724	264329	289110	383854	398747	509653	266525	350114	652323	323836	440499	5730	446575	424771	186012	220257	261658	822775	350493	388017	176044	563859	243110	3233	234631	629778	Phytochemical	0.35714287	1.2142857	0.071428575
8	C13 H17 O4 N3	280.12918	280.1296	0.043677233	280.12918	44854	54119	37208	48693	27460	24176	47460	54292	31398	29816	20390	37107	30553	10913	47223	77230	49943	41252	52437	35358	33711	65778	38290	67009	41443	9187	46608	20823	51120	50318	48209	60642	63409	53379	41543	51137	66897	52330	63811	42776	44910	28440	607	0	0	38799	32757	0	70253	54484	40641	45049	31652	0	38782	14016	22767	69769	34675	36397	71136	25710	25747	29321	26353	33907	29476	63017	11313	24597	23241	53608	45304	37656	36593	52154	0	40496	49218	27388	40073	27507	37882	22298	21342	23434	47711	39822	36381	96440	44012	64359	117339	29871	43519	0	49465	49013	22606	18386	22843	61898	38772	54434	15674	60511	28464	0	48681	38917	Peptide	0.30769232	1.3076923	0.23076923
2	C13 H17 O4 N3	280.12918	280.1297	0.094679765	280.1292	67393	60906	52146	59586	42618	62186	42270	56532	48572	42572	43292	49465	51368	20665	53113	31080	112495	81462	68198	47262	73661	89906	56021	53773	32588	13127	17286	193910	66806	38537	63948	64777	90285	56587	65851	55976	68684	53143	125186	63570	79966	48168	542	0	0	34524	51164	0	56858	39038	58582	59028	50930	0	54472	24525	30822	69172	30371	53502	32414	33605	62039	50494	37798	62583	58378	127581	21814	35865	47900	49394	58159	39785	23111	44933	0	38309	55444	1001313	46958	26635	37997	39150	37113	38804	59484	73286	65304	150949	118579	90037	128098	97673	22821	489	60045	61982	39309	30785	30907	50897	48028	59811	31975	86096	30690	0	45603	68404	Peptide	0.30769232	1.3076923	0.23076923
20	C18 H17 O2 N1	280.1332	280.1335	0.16231109	280.13324	1677	2791	0	0	0	0	0	0	0	0	0	1140	0	0	0	0	1934	0	0	0	0	0	0	0	0	6601	1117	0	0	0	0	0	57776	0	0	0	70151	1084	1940	1675	3281	0	395	0	0	0	0	0	0	0	1501	1600	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2264	3165	2169	4431	0	0	0	0	0	0	1569	0	0	0	0	0	0	0	0	0	0	1411	6852	0	0	2762	1492	0	0	0	0	0	0	0	81819	1723	0	0	2660	0	0	0	0	Phytochemical	0.11111111	0.9444444	0.055555556
0	C11 H21 O7 N1	280.13907	280.13965	-0.029012008	280.13907	7810	9732	7089	6636	14405	33219	0	16408	3939	2975	0	6252	27213	7375	3036	2413	2779	49592	14224	2917	6807	6112	6317	13186	3245	0	0	0	30057	7312	18169	23229	61881	67519	5988	22313	39703	2073	3208	1959	0	12535	0	0	0	4564	0	0	19783	9219	7218	7923	12269	518	5260	1554	0	14947	1176	0	6610	0	14708	6182	2093	29413	23092	4552	0	0	0	73357	69294	24348	0	19399	0	6925	1867	0	1923	0	0	0	1471	0	1810	35831	18591	0	0	0	10717	0	0	0	6486	9033	1635	1194	1836	15112	5566	2935	0	17965	1902	0	0	42777	A-Sugar	0.6363636	1.9090909	0.09090909
4	C15 H21 O4 N1	280.15433	280.15485	0.06024348	280.15436	258692	286974	271028	277808	243759	151498	143328	274260	154945	406872	170620	150511	256953	123160	167205	365399	243730	232933	283226	464900	482907	431363	194996	349131	172902	269280	148449	165453	251467	198768	239202	284498	364959	240541	530842	267448	331754	167303	274045	344784	342355	144466	3913	1660	1597	229035	234153	2130	301620	223381	281028	225701	203772	1761	227267	108823	89170	374305	68409	125284	339015	196463	207014	171005	56598	238076	157655	261019	248455	382651	448513	220913	220286	243404	201236	215627	1268	165439	185297	137540	144750	102613	123290	205395	141819	92907	233346	140100	163831	922626	296266	263670	377616	202174	332112	3632	256595	290983	104910	127876	134024	291510	152198	298962	123209	243957	129333	2001	184359	260664	Lipid	0.26666668	1.4	0.06666667
8	C15 H21 O4 N1	280.15433	280.15475	0.06039394	280.15436	201989	222391	168917	213615	133367	100578	115715	210096	102439	276479	125806	115195	145016	59171	133294	246299	173983	142062	207218	359162	369460	282327	127065	236058	115826	207400	142562	125690	228964	198697	188436	280436	268545	231667	396393	217839	275703	118649	230917	274405	296523	111054	3759	1584	1836	190337	208932	1912	275510	190560	198307	203374	119303	2052	142318	65004	61268	229869	55073	137778	221005	137038	114279	103266	55304	148743	120495	211478	167590	257448	294377	219770	216623	214281	155340	217754	1419	126690	143427	127805	116327	104049	107376	175812	80369	57687	151056	108004	128620	275123	212766	219572	315839	159767	259754	2596	204344	201069	79544	87743	86132	253217	113639	222960	59627	180521	80309	1259	124052	151157	Lipid	0.26666668	1.4	0.06666667
2	C15 H21 O4 N1	280.15433	280.15485	0.085557185	280.15436	459424	445560	395140	419362	159162	249199	287291	621630	138423	913692	251421	407601	173215	118799	859136	594532	923698	295310	277037	1017764	1128642	1086790	397734	522724	332661	242043	290019	186810	548101	495283	1318866	586505	1456508	493131	1110784	561886	661719	788178	1056320	873972	874146	243318	3026	1238	1798	257611	629308	1436	670078	436118	402954	439817	207583	2121	184038	83983	118184	598386	129566	410618	543607	463042	143766	156367	109756	212708	308459	1230156	276098	759448	442600	531659	558254	537638	930148	1020130	1364	382879	1014844	201187	733262	146271	186717	469696	95344	127494	975606	282333	319787	1338208	375006	387882	789767	284615	901000	3624	449839	456146	102631	77079	87274	597774	386822	1044212	182660	516367	91872	1373	669980	180398	Lipid	0.26666668	1.4	0.06666667
20	C15 H21 O4 N1	280.15433	280.15466	0.119612806	280.15436	68406	81064	81328	64247	298696	133238	55595	63057	221165	40071	40101	46527	81342	139751	46945	76638	100579	141525	112332	70025	63351	51234	46063	68765	47419	27253	56360	39959	83075	63818	51760	70650	105908	78100	53965	69706	138866	38284	97488	43613	68188	84941	12218	4059	3128	38695	57466	3568	74330	53840	74893	69369	132709	3918	87408	65960	62520	75452	36138	51493	70746	23878	72329	67847	37546	93086	81286	103277	24510	25692	34425	53554	57634	68085	102088	64751	2888	36942	51471	69985	37443	30797	45520	28176	176530	64712	61311	70732	55391	82182	77229	74500	80114	52588	53078	4360	65277	75317	153616	84082	108341	122175	44257	71165	34070	64643	261964	3331	50500	386235	Lipid	0.26666668	1.4	0.06666667
16	C15 H21 O4 N1	280.15433	280.1547	0.091319256	280.15436	198378	222816	213371	215365	155878	112788	172618	204800	105676	319397	183200	140307	128536	87882	139081	262739	280141	191512	212562	424426	412178	320796	126802	214502	142993	265862	160538	195866	233439	194165	198238	238243	268911	213666	332465	230136	262521	113859	296502	339169	362703	135696	6588	2729	3607	200727	205670	2595	255234	191035	222581	233557	196993	3323	117884	87780	87021	262329	156983	216975	237625	201905	121477	98060	69866	152987	145861	283986	212727	317900	319102	176920	179219	178787	268882	212840	2407	122675	151675	237444	97044	147355	193322	239769	126996	93271	177052	163256	146109	354335	325892	347612	342819	234747	382825	4071	209423	230616	93335	88937	119557	276559	122730	223006	113979	193081	123370	2944	156346	139114	Lipid	0.26666668	1.4	0.06666667
18	C15 H21 O4 N1	280.15433	280.1547	0.1067804	280.15436	116945	116429	110535	109286	88412	70577	98984	121452	54083	103735	78635	72636	93612	71180	85719	164769	171273	114218	105847	140470	128020	136562	70883	124623	79505	70167	82201	77801	105458	102409	95816	109252	204627	120695	106017	125217	204358	76765	190780	123655	159560	88677	6564	2922	3533	84167	81555	2578	140379	89559	114886	98650	95119	2853	72031	56408	49854	167109	70352	97744	149801	84745	62828	60854	41897	89691	88933	190287	66292	86181	108261	104456	90503	92926	151803	102387	2490	69400	83579	124423	67097	74482	85471	82301	62935	64710	92597	96808	84092	163761	163719	170572	173311	95237	145882	3551	118348	114333	48436	61112	71492	201125	73071	131026	57841	131204	59495	2443	86365	80976	Lipid	0.26666668	1.4	0.06666667
14	C15 H21 O4 N1	280.15433	280.15472	0.06987612	280.15436	288126	294206	248936	287913	151499	122845	202906	209550	109643	490335	266185	156073	131735	93491	128826	263287	277908	190063	190503	596170	572128	459186	134725	242132	151330	388997	195681	240249	207809	191406	196129	277064	279772	236783	483399	219028	311761	130646	310013	512814	526617	134916	4542	2522	2296	224028	287194	2713	296903	176087	268822	258642	146455	2691	127180	74397	94419	328386	190522	271503	219770	247114	119168	112488	70819	175141	138323	292960	286942	451988	527265	212317	206858	181800	220691	218408	2085	138348	169119	227117	131041	178472	259788	352749	108227	84387	182294	191122	174201	447437	410954	438615	358543	296634	496168	3596	271560	243252	90813	96550	107326	262354	146154	307106	107033	266299	103089	2526	186610	135610	Lipid	0.26666668	1.4	0.06666667
22	C15 H21 O4 N1	280.15433	280.15466	0.11560629	280.15436	90996	121132	75128	90206	996086	57108	33085	25939	110627	16058	16472	19175	36559	32777	16607	38611	48643	369424	447618	23181	34611	31367	36832	47181	17296	3203	23606	18661	44772	34616	33065	69939	160016	39527	24059	27386	96440	25157	65479	21412	26782	51524	4612	0	4359	38661	25269	4039	47266	18080	82236	94612	278494	3533	145492	22464	43724	105118	15448	20407	58993	9406	305918	88569	27606	76246	48646	107759	2397	3534	7373	36264	58572	24883	47150	81928	2838	20374	40533	18780	71853	19477	28052	9083	380294	34131	33731	90586	88915	60423	45293	29905	33355	14855	17402	3864	62962	86920	253234	34611	42867	103667	48631	26529	21092	42579	288831	0	26121	358786	Lipid	0.26666668	1.4	0.06666667
24	C15 H21 O4 N1	280.15433	280.15463	0.12359963	280.15436	62611	52557	73980	72876	422764	397253	55188	123304	22445	10151	13122	106881	6033	5574	72916	118769	109250	497900	168459	23653	17802	5642	75751	132605	34903	0	56959	14200	107166	104965	77866	76134	68058	96665	4272	110358	118296	59386	114226	9581	8722	84847	13736	3013	5564	18873	17395	3682	129613	151341	80264	61114	424144	0	74018	8465	38760	54534	51662	80398	95852	7866	50918	105583	75312	20241	60404	63079	2365	2342	3439	118854	101621	105092	116759	62779	0	101497	48131	7618	38849	9892	57236	8691	609440	123323	27607	74460	82308	26966	14168	23329	61596	3419	7288	4712	91016	61527	49738	5002	9133	99955	57663	110096	11053	92007	233009	3538	52607	81395	Lipid	0.26666668	1.4	0.06666667
26	C12 H25 O4 N1 S1	280.1577	280.15793	0.068465866	280.1577	6281	5875	4186	6333	0	6267	4699	12508	0	0	0	14305	0	0	15583	87140	0	0	0	0	0	0	0	0	23535	0	21818	4407	25593	20577	9678	13920	192996	11954	0	18628	137471	9410	2352	0	0	0	0	0	0	0	0	0	118114	14792	6538	5851	0	0	0	0	0	39271	0	0	0	0	0	0	0	0	0	0	0	0	0	13319	6401	0	195845	35378	0	0	0	0	0	0	0	0	0	14104	0	0	0	0	0	0	0	0	0	0	5992	6282	0	0	0	59249	6227	0	0	0	0	0	8475	0	Organosulfur	0.33333334	2.0833333	0.083333336
0	C12 H25 O4 N1 S1	280.1577	280.15845	0.5418556	280.15787	0	0	0	0	0	0	0	0	0	0	1168	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11150	824	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44409	0	0	0	0	0	0	0	0	0	0	34648	8903	0	1820	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.33333334	2.0833333	0.083333336
8	C14 H21 O3 N3	280.16556	280.16602	0.07373459	280.1656	16345	16697	12963	17459	4663	5218	12017	16779	3181	18352	7222	11163	1443	1721	12778	27717	21980	5953	8148	23347	20913	21618	9477	22793	12843	9488	12924	8160	14494	16948	15884	18121	22061	18599	23493	19050	16105	9957	26584	24680	21723	5598	0	0	0	18090	17897	0	23309	15450	14704	17250	5461	0	4169	1828	3418	21052	5541	13190	15283	12484	4852	3462	4077	6851	5691	28014	9605	16719	18797	17915	15963	11587	16031	16608	0	9674	11897	12525	12238	9288	11494	16256	2064	0	14555	9415	7233	32452	26008	21249	37356	15605	20678	0	13810	13727	2184	1260	2162	18009	10951	18206	0	18680	1917	0	16212	5973	Peptide	0.21428572	1.5	0.21428572
0	C12 H25 O6 N1	280.17548	280.17603	-0.0691028	280.17545	0	0	0	0	5817	0	0	0	3022	0	0	0	2407	4028	0	0	0	5171	2295	0	23451	0	0	0	0	0	0	0	3976	0	1835	0	5213	1733	0	0	2170	0	848	0	0	8943	0	0	0	0	0	0	0	0	0	0	5275	0	949	687	3874	0	0	3144	0	0	3131	1413	2607	3873	13538	0	0	0	0	0	2446	0	0	0	0	0	0	0	0	0	0	0	2635	0	0	0	0	0	0	0	0	2399	0	0	0	0	522	0	0	0	0	0	0	0	2938	0	0	4649	Lipid	0.5	2.0833333	0.083333336
18	C16 H25 O3 N1	280.19073	280.19107	0.13425453	280.19077	24588	27487	30875	25081	16154	16927	18534	35133	7603	37557	31996	14525	7830	11523	14346	34500	46906	12937	15571	46215	54456	30120	9551	26415	11443	75732	15790	28701	31713	31073	40610	33084	33009	33117	26348	31872	23338	11653	41115	29384	49591	19846	1226	363	0	25677	33192	618	35172	27567	24588	29597	15987	1340	8729	8391	7875	26507	12091	31864	31630	18717	8735	3326	6177	15156	15934	45090	60098	42965	87441	26708	25552	31738	44382	31543	370	13464	16635	29617	10377	20404	21071	19859	12884	12070	27520	24416	13617	111004	51680	38413	52180	26514	42852	481	33267	29011	20356	7157	10623	32093	13674	24832	15784	26660	14146	0	14567	9373	Lipid	0.1875	1.5625	0.0625
22	C16 H25 O3 N1	280.19073	280.19107	0.11070323	280.19077	37854	35312	26453	38559	35693	34940	20570	30991	13016	92656	66108	21528	19872	24178	21497	46090	49499	37019	30829	89478	92981	43574	15051	35807	26105	19726	22025	67177	40849	33778	28087	45485	57065	41362	85928	38688	53644	17976	47045	36807	37006	27089	0	0	499	40263	45813	0	46706	38701	42533	34536	28737	2723	11618	8686	13056	47540	25923	50907	44944	19659	17300	16070	13810	34515	30501	51549	13853	21706	21758	29686	29386	31241	42695	40518	620	16613	19455	47218	9985	29225	30805	22767	11047	17337	36371	32596	25227	73711	98238	77274	49798	44829	77674	0	32292	38585	26282	8630	12941	68040	16395	39698	34111	43767	21061	0	24278	29357	Lipid	0.1875	1.5625	0.0625
10	C16 H25 O3 N1	280.19073	280.19113	0.06972254	280.19073	35616	35213	32859	33470	11643	11123	16490	35434	4352	30477	16976	18071	7015	7293	17486	40417	28704	15127	18496	40217	50544	71715	15797	35185	15655	26414	17921	16198	36517	25666	38059	44265	46745	35085	43499	29516	38660	17125	34143	39901	22078	16436	586	0	0	23032	19769	0	42949	24503	33410	35559	13279	0	6119	3022	7622	50362	0	7752	42197	13911	6707	5518	5940	11287	28095	41417	20000	39518	46695	35803	30541	27262	37077	28942	0	20600	13738	17604	15116	2810	2287	20497	4046	7579	22165	13752	17320	230294	63708	15623	145558	37730	63413	0	35433	33144	4516	5137	2936	31977	17722	22621	0	48581	4018	0	18421	7648	Lipid	0.1875	1.5625	0.0625
8	C16 H25 O3 N1	280.19073	280.19116	0.089308195	280.19073	62685	68584	49302	65595	17026	17401	38483	88056	11853	63509	28531	45012	15002	15990	45054	122988	69915	18209	36371	77578	70945	143217	36489	84620	50491	40764	54072	34078	71703	53880	63966	74253	56247	68325	83566	55422	69948	41009	80242	58989	34534	23879	808	0	0	44948	38739	0	105200	60855	63611	64055	23240	248	13591	5598	12873	117168	0	10438	115290	24971	14437	13393	12997	22113	28600	84873	29541	69820	67346	76420	49081	45456	62565	58900	0	42151	60403	71057	35556	6850	5115	44234	8039	8562	81328	26518	29140	483314	134611	38335	389169	76256	133306	0	62455	57351	10936	7758	7349	61466	39730	43498	15659	107669	8349	0	58536	19946	Lipid	0.1875	1.5625	0.0625
12	C16 H25 O3 N1	280.19073	280.19113	0.09443113	280.19073	12575	15795	14165	12211	8155	6737	8309	14628	4388	21307	10294	6435	5795	3368	4834	19898	14990	6226	12757	19861	26290	15512	6075	21477	9141	19699	11832	10831	13038	11659	16411	14540	18066	16880	21065	13383	19486	7430	15504	17173	13714	5278	0	0	0	10791	14514	0	14373	10330	12003	14854	8088	371	3050	1633	2933	16901	0	0	0	6845	3876	2820	1703	6723	4960	20046	0	21544	32865	15968	11790	13732	15893	15181	0	7650	9250	0	8030	3470	2601	11152	2863	2194	12268	6942	5832	72749	30647	5957	37607	9738	22713	0	11879	12585	4763	3957	3515	15627	5917	11223	0	16159	4326	0	7157	10286	Lipid	0.1875	1.5625	0.0625
16	C16 H25 O3 N1	280.19073	280.1911	0.13449843	280.19077	26965	24843	22413	17620	130713	44473	15266	11876	10154	19065	13536	10994	15857	258773	9612	21147	32643	21738	35478	18080	25950	18260	5837	14231	8589	26622	16136	15143	13579	16344	14822	16409	20470	13399	18113	18527	14742	8335	44167	13609	32924	32204	1396	472	331	14439	25305	0	22005	16849	21770	28113	90749	1181	6701	30321	28582	16179	6748	36146	13847	7405	4758	5749	37713	18802	36931	40378	23059	19128	35389	10823	12023	14786	26694	17302	0	7563	15229	21393	6269	7555	15629	17134	14436	14091	22362	30828	17067	109914	30367	18720	0	17653	25609	471	25351	24614	21339	7714	11272	12852	9160	12432	6675	13526	56045	0	12328	10402	Lipid	0.1875	1.5625	0.0625
24	C16 H25 O3 N1	280.19073	280.19104	0.14215434	280.19077	10587	12590	11449	11225	8068	7814	6631	10895	5557	14070	18333	6982	2522	7954	6376	28360	11071	8819	14453	22017	21737	17992	9010	13669	7655	0	3666	21797	15612	14697	12079	15888	14768	17388	14953	14835	15900	6046	10288	7612	6999	8188	1744	0	0	11689	14493	0	17314	9800	9463	9356	9189	0	4631	2954	3056	28965	9086	10417	27782	5638	3460	4826	2450	8309	9553	10778	2112	2796	0	11888	11075	13524	11049	12588	0	6341	4906	14845	3289	10481	7439	6888	3299	4926	10598	7994	8765	54986	37049	33129	36348	11369	17373	0	10356	13598	4503	2042	2960	15424	4382	17397	12067	26757	6634	0	7906	5763	Lipid	0.1875	1.5625	0.0625
20	C16 H25 O3 N1	280.19073	280.19104	0.09497476	280.19073	29256	38277	39367	34461	30367	23473	22861	29337	10972	50779	36111	20871	14197	20438	17224	53331	55906	17666	33369	66425	73280	36176	13668	33838	24065	66211	26742	41058	38102	35684	24009	33241	34612	39261	49472	41987	39207	18211	60320	38778	56989	25035	1806	558	482	37673	61219	783	42125	32749	34817	37749	21397	2805	13870	7002	13683	39983	18335	52545	35709	18301	12609	9570	11789	25825	20584	57958	47994	52547	78756	28086	34965	40010	64368	37830	621	20734	16890	57660	14486	27787	30483	29429	14674	13047	40835	28820	21200	117073	66249	49163	70975	31817	45672	547	34117	42116	19050	12680	17109	45666	18737	49652	30232	39334	23631	606	26122	17058	Lipid	0.1875	1.5625	0.0625
14	C16 H25 O3 N1	280.19073	280.1911	0.084272064	280.19073	14739	14602	13363	15283	6327	4820	12400	12952	3192	11454	9990	10054	3924	3967	8244	18027	18017	8124	10224	16656	15787	11231	3940	12177	7900	16657	12526	7483	11227	12863	13570	17492	17457	16059	14342	11038	11565	8431	22746	15594	15592	6298	0	0	0	8364	12451	382	21093	9183	16963	14312	5496	446	4106	3772	3523	23002	0	12207	0	5857	4091	3084	3854	6167	3843	23439	0	19384	23392	13153	13605	13034	19058	17123	0	8636	11997	0	6026	3798	4565	8649	3674	2536	15331	5511	9660	63354	24244	12529	25373	9736	17124	0	16211	12939	2980	3627	3129	11256	7513	6399	0	15491	2511	0	12868	4508	Lipid	0.1875	1.5625	0.0625
4	C15 H25 O2 N3	280.20197	280.2024	-0.089675225	280.20193	2266	3237	1968	2180	0	0	1328	2359	0	0	0	1245	303	0	1025	4557	7304	720	771	1519	1789	1922	1009	2181	1308	906	1928	0	1274	3441	1793	2288	3003	776	1985	1717	2296	1062	4280	1425	496	975	0	0	0	0	0	0	1951	2454	2497	2092	489	0	0	0	382	8002	0	0	5182	970	0	251	0	0	886	26172	0	0	0	1061	2255	1275	7411	3074	0	1006	1225	0	1153	0	0	1485	0	440	1271	450	805	4461	2285	925	2940	1204	1770	0	2256	1429	0	0	0	3414	825	1352	0	4366	0	0	1843	459	Peptide	0.13333334	1.6666666	0.2
14	C17 H29 O2 N1	280.2271	280.22745	0.06638148	280.2271	6212	4722	4953	6225	1298	1260	3846	7096	0	6241	3578	3351	0	2058	4665	13728	5352	0	0	6120	5123	0	3599	8916	5672	4699	5962	0	4222	8545	6732	0	16554	8728	8488	7993	10276	2238	8126	8264	0	1991	0	0	0	3267	4364	0	8706	5847	4431	4601	1757	0	0	0	1017	15122	0	0	0	0	0	0	933	1777	2563	13237	0	4729	2758	6364	4763	5478	8114	6952	0	3202	2517	0	3349	0	0	8840	0	0	10352	2038	1810	33363	16095	0	19715	3264	10077	0	1657	6349	0	0	0	15318	4924	3382	0	14879	0	0	2955	0	Lipid	0.11764706	1.7058823	0.05882353
18	C17 H29 O2 N1	280.2271	280.22736	0.046965092	280.2271	5267	4180	4765	2167	0	0	4610	11302	0	0	0	5614	0	0	5806	24212	5319	0	0	0	0	0	6395	26725	5903	0	3255	1938	7060	5923	7151	9063	6807	6496	3056	9777	6339	4663	11143	1669	0	1656	0	0	0	2447	2643	0	8876	12264	4879	3643	0	0	0	0	0	12532	0	1914	18174	0	0	0	1186	0	1692	16133	0	0	0	9034	7111	5862	7727	8536	0	2992	8102	2383	7069	0	0	0	0	0	9758	4552	2242	33548	7771	0	20913	0	0	0	1954	3035	0	0	0	7902	3586	0	1561	12769	0	0	5884	0	Lipid	0.11764706	1.7058823	0.05882353
4	C17 H29 O2 N1	280.2271	280.2276	0.003822939	280.2271	7002	8230	5466	5689	0	625	7706	27818	0	3581	1416	7240	0	0	8318	15398	10477	438	1483	4294	4740	5803	5937	17051	10230	654	8994	0	11230	9375	13193	12778	11520	9495	5043	14104	8593	5069	9526	4031	1355	2026	0	0	0	2677	1340	0	13805	22082	7686	5222	644	0	265	0	557	15125	0	0	14773	1736	0	395	1418	390	1561	12366	0	1383	0	12570	11990	15180	12853	10888	0	7659	7552	0	6490	0	298	2758	0	767	7756	1617	2081	21428	10665	1236	19268	3698	8521	0	6879	8055	0	0	0	8493	7133	7835	0	10981	0	0	6463	351	Lipid	0.11764706	1.7058823	0.05882353
22	C17 H29 O2 N1	280.2271	280.22742	0.06940497	280.2271	1656	4219	3936	5192	1458	9566	1749	2903	0	9110	1551	0	0	0	0	14201	3962	0	0	2749	3447	0	1583	3485	1737	3746	3374	2898	1622	4414	2410	6246	14063	2385	1679	4025	1788	0	4276	2564	4244	7762	0	0	0	9571	11829	0	24049	19000	3754	4265	0	3641	0	0	0	8028	0	35091	8208	0	3635	0	1576	7424	1548	8084	2997	2203	4549	1698	0	1465	6887	16823	482	0	0	3609	1276	1243	0	1155	0	1212	25461	5815	1584	35062	17704	7930	10082	0	14628	0	3482	4385	0	0	1746	0	0	2104	0	3458	1256	0	1872	21607	Lipid	0.11764706	1.7058823	0.05882353
8	C17 H29 O2 N1	280.2271	280.22754	0.09118735	280.22714	17674	21955	18089	17628	4544	3751	14933	97786	2094	12670	7932	47910	1984	1562	14212	71626	12574	3715	9736	15740	13210	11951	9099	31787	22027	4675	20504	4804	31677	69644	59490	36884	20783	20198	10643	37422	22879	14493	10484	5723	0	5885	0	0	0	6900	6588	0	63740	133106	17058	18099	4934	0	4000	552	2698	53760	0	0	60873	3048	1004	3398	7367	3132	8252	18235	0	8149	3982	32211	19512	34561	21181	34808	0	39673	14815	8667	7581	0	0	6342	1929	0	15881	7814	13009	102686	21551	0	94828	6992	11478	0	17887	16548	2002	866	0	19003	42850	7703	0	37017	0	0	14878	1196	Lipid	0.11764706	1.7058823	0.05882353
6	C17 H29 O2 N1	280.2271	280.22754	0.023019994	280.2271	11900	13914	11318	13850	440	1155	13052	34634	466	9959	5999	13907	0	431	9887	32993	15659	1215	2879	17770	13012	6554	9697	33877	8076	1858	18101	3683	18417	24413	22422	29121	23801	23736	12053	26858	23449	10377	15158	11796	857	2556	0	0	0	6264	6007	0	34902	28687	14970	13610	1777	0	0	0	1671	20009	0	0	27842	4280	0	0	1297	1022	2960	26213	0	2001	0	30251	24394	33454	24702	25783	0	12818	8763	4237	10296	0	0	13402	754	1075	16341	5196	4938	36449	22843	1091	29903	7927	16175	0	11870	9130	0	0	0	21558	10799	9569	0	16552	382	0	8695	0	Lipid	0.11764706	1.7058823	0.05882353
12	C17 H29 O2 N1	280.2271	280.22754	0.08126613	280.22714	8954	10521	10211	9753	4340	5110	11436	16793	1540	8042	6287	8369	1369	2631	7192	40339	9790	3240	8269	10433	14604	0	4862	14186	10433	8439	16508	0	10385	15129	19218	12074	21955	13203	15473	13726	15134	6333	8849	16612	0	3437	0	0	0	6732	9966	0	8247	15253	8091	12024	3631	0	2433	0	927	37841	0	0	29656	2805	2490	0	1670	0	4201	16500	0	10738	10666	12699	10651	28691	13579	13944	0	7452	5949	0	6095	0	0	11876	1219	779	23318	2947	5461	87805	38251	0	61626	7098	18506	0	12345	8502	0	0	0	15717	6579	4690	0	25832	2375	0	6868	1882	Lipid	0.11764706	1.7058823	0.05882353
20	C17 H29 O2 N1	280.2271	280.2275	0.22811891	280.22717	11235	10900	10834	9103	0	1698	15836	16886	0	0	1713	7724	0	0	2725	100353	9281	0	0	0	0	5645	5389	84981	15431	7583	13143	0	9223	5687	36569	4658	5631	5659	0	5790	4830	3939	9096	0	0	7016	0	0	0	7116	4790	0	8374	6623	8813	8311	1492	844	0	0	1897	42574	0	4197	75223	0	0	0	0	1848	3199	10410	2671	1588	6555	7755	3546	3159	10036	7650	0	6163	20994	6521	3176	0	0	0	0	1588	51246	1534	1763	296170	4406	0	159937	1314	0	0	10679	8996	0	0	0	2551	5001	0	1303	75220	0	0	21172	0	Lipid	0.11764706	1.7058823	0.05882353
10	C17 H29 O2 N1	280.2271	280.2275	0.080245435	280.22714	16229	15598	13559	12966	12007	5332	31159	19130	5789	10634	6806	9503	3181	6425	10272	38104	5713	5647	13243	17644	14595	9146	9126	83987	17875	11395	64217	8728	13326	12000	14581	18764	25570	16503	14497	15466	26449	9356	6622	9940	0	5097	0	0	0	14371	7210	0	16132	9787	15745	14113	11423	0	18142	1981	3140	46128	0	0	43657	1608	4028	6067	6106	8098	12038	9850	0	11494	10471	12625	11956	11421	9943	13631	0	12110	6882	9123	6431	0	0	4888	3811	7275	15661	8765	12414	70779	27518	0	104161	9384	19065	0	14479	15218	4576	2029	1795	19459	12743	6169	0	38554	4746	0	12865	3796	Lipid	0.11764706	1.7058823	0.05882353
10	C18 H33 O1 N1	280.2635	280.26398	-0.08114539	280.26346	0	0	0	0	0	0	0	2208	0	0	0	0	0	0	0	2228	0	0	0	0	0	0	2211	46385	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4931	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4228	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.055555556	1.8333334	0.055555556
28	C18 H33 O1 N1	280.2635	280.26385	0.18076737	280.26355	158130	101897	173882	144153	16355	30518	9860	17948	178466	28023	55332	92357	23022	14679	99308	15399	29430	12969	20629	9998	11508	9091	159798	10424	11226	9479	8521	13652	15232	23204	17025	17870	17683	14222	10534	23530	17406	273812	16003	9910	15599	23061	18754	42722	36288	13061	31099	14728	26443	55654	137281	138423	14373	22756	98244	176753	115652	12759	102357	148341	10171	92421	16855	74767	63287	91808	11673	45379	64839	8597	9264	15691	13305	18909	20225	35673	42143	70764	7972	15055	9789	9442	13014	14460	7877	6182	12888	23011	13106	38518	12139	11003	45462	55745	33866	16277	172741	180188	264839	16068	13624	12778	62747	12714	50900	12876	9858	17137	11509	37058	Lipid	0.055555556	1.8333334	0.055555556
26	C18 H33 O1 N1	280.2635	280.2639	0.24742211	280.26355	134887	114239	140138	121398	28093	72780	16099	88456	80656	90698	65971	159214	48707	16636	154184	133908	351889	21274	42221	45983	31932	19780	69825	48511	8511	8273	13141	20902	31186	221422	34451	66440	37297	47804	11625	123759	60284	146630	178807	19475	201402	107157	112133	170686	43944	29588	164560	22143	112294	485516	124493	114857	15822	55525	51051	140604	284125	29311	114811	925293	62302	113425	35249	55143	70555	38022	11301	387357	126854	6439	21490	47967	28816	108211	40334	245049	169465	88388	20352	32517	34322	14833	15047	29404	13722	14522	36240	238325	17016	361197	12228	14291	216528	73558	190703	39170	140941	155858	149401	20602	26029	43186	111809	47586	149790	22147	10633	27494	17693	81138	Lipid	0.055555556	1.8333334	0.055555556
16	C12 H8 O8	281.0292	281.02957	0.16190301	281.02924	2696	3666	0	5164	15082	9987	1371	0	9066	0	0	5961	17386	13355	3861	1825	2207	17719	20733	0	0	2223	5944	1939	1409	0	0	0	0	0	3091	4256	4127	2289	0	1713	3484	2201	1354	0	0	9624	1004	801	831	0	0	1424	0	0	2328	2861	12669	450	7310	6418	7723	1560	0	0	0	0	24400	12431	9255	25997	7697	2705	0	0	0	0	3755	0	3136	2593	984	3873	6668	0	4786	0	0	0	15350	6951	7472	11997	12319	0	0	2366	0	1703	0	804	2769	3091	5826	8877	10425	3458	5586	0	0	0	8716	821	0	26102	Phytochemical	0.6666667	0.6666667	0.0
12	C12 H8 O8	281.0292	281.02963	0.23043586	281.02927	0	1513	0	3501	13780	6602	0	0	10373	0	0	1828	20754	7512	0	0	0	9666	13790	0	0	0	2274	0	0	0	1254	0	0	0	0	0	0	0	0	0	0	1316	0	0	0	5152	275	0	320	0	0	696	0	1411	2039	2065	6774	0	8593	8054	5323	0	0	0	0	0	31598	12026	5443	21330	4987	0	0	0	0	0	0	0	0	0	375	1481	1919	0	1548	0	0	0	14141	4449	2170	5213	6049	0	0	0	0	0	0	0	3544	0	7751	13220	17099	3226	1609	0	0	0	9929	0	0	28904	Phytochemical	0.6666667	0.6666667	0.0
14	C12 H8 O8	281.0292	281.0296	0.22364871	281.02927	6778	2141	2708	5532	19160	8091	2658	1586	13748	0	0	4379	23302	8813	2064	4802	5076	13135	20126	0	0	4221	8375	3004	1233	0	4504	0	2105	2174	1400	0	2589	2669	0	1670	2809	2143	4142	0	0	8290	0	0	722	0	0	940	2866	1476	3302	5708	12500	270	7008	11664	7968	3880	0	0	0	0	30906	13692	9369	26227	13508	5551	0	0	0	0	2232	1168	3552	1327	533	4598	10757	0	6464	0	0	0	12483	7142	9679	12619	14215	7822	0	0	2739	0	1594	619	3382	4236	9522	15602	16625	3366	3277	0	0	4168	8511	367	2853	26236	Phytochemical	0.6666667	0.6666667	0.0
10	C12 H8 O8	281.0292	281.0297	0.24111722	281.02927	0	1293	0	1135	12092	5216	0	0	9686	0	0	2415	14756	4481	1054	0	0	10328	9637	0	0	0	4394	0	0	0	0	0	0	0	0	0	2725	0	0	0	1124	1040	0	0	0	3199	0	0	353	0	0	0	0	0	2311	1607	5762	0	7950	9218	3094	0	0	0	0	0	24538	9246	3773	13816	3448	1690	0	0	0	0	0	1091	0	0	0	980	1609	0	1874	0	0	0	9742	4000	1186	6183	5975	0	0	0	2119	0	0	0	2078	1284	5652	12220	10557	1155	1614	0	0	1082	6038	0	0	19690	Phytochemical	0.6666667	0.6666667	0.0
16	C13 H12 O5 S1	281.04782	281.04825	0.21929248	281.04788	6733	7633	5254	6007	16973	10610	0	0	13872	19466	13784	2767	20692	7140	3357	4914	3200	22263	18359	14771	12599	27936	3472	2397	5188	5975	3189	13448	2581	0	0	0	3778	1594	28579	0	5642	1676	3271	15288	22216	5458	522	0	0	7546	8466	399	1605	1076	8616	8578	11452	334	16938	9105	5644	6472	8847	7956	0	11591	8915	5498	4774	14888	10458	3355	4016	7669	7776	0	0	0	2176	2012	397	0	6114	25981	1990	5361	4855	9703	8427	5788	8805	10080	8717	0	27905	23017	0	32618	47776	0	8591	9919	11308	10449	12880	6721	1542	8294	5442	0	13676	0	3976	21974	Organosulfur	0.3846154	0.9230769	0.0
14	C13 H12 O5 S1	281.04782	281.04822	0.18659726	281.04788	8333	9845	11284	8038	13467	8867	2299	1770	10489	22580	18828	0	15589	5853	1904	0	2033	16928	12923	12916	13694	24403	3489	0	2542	13405	2304	18653	0	0	0	0	4093	1752	25426	1824	6124	1618	1999	19133	25237	2922	0	0	0	3427	6089	0	1975	0	7717	8784	8958	0	6284	7562	4798	4655	8066	7259	0	12276	5665	9046	3319	9080	4352	3948	0	14113	21047	0	0	0	2073	0	0	0	3969	17766	2278	10421	6661	14908	6455	5964	5713	6577	8881	0	17421	25132	2988	35125	38808	0	7097	9214	6599	10430	7953	0	1934	6232	0	4546	8348	0	2973	12325	Organosulfur	0.3846154	0.9230769	0.0
18	C13 H12 O5 S1	281.04782	281.0482	0.18702765	281.04788	8109	7694	6775	9569	21497	9573	2429	0	12072	15483	6370	1402	24037	8614	3674	3845	3959	24462	19269	4596	5980	11641	2532	3885	6986	2205	2454	7574	0	0	1685	0	7921	0	16599	0	6080	1951	2749	14135	10189	7079	534	0	0	0	4816	437	3586	0	8806	8084	15303	0	10341	8200	4132	7922	6048	6734	6632	6729	6567	9034	4792	18226	10896	2192	3836	2403	2897	0	1284	0	1421	0	0	1556	4784	15402	3719	7195	5099	6612	11087	10829	7395	10865	13333	7048	20002	30068	9424	15057	27052	0	8613	5997	8145	8275	11223	5584	2163	6580	3595	5208	8936	0	3530	15042	Organosulfur	0.3846154	0.9230769	0.0
10	C12 H12 O4 N2 S1	281.05905	281.0595	0.26391515	281.05914	10867	11873	11959	11786	6410	4433	7324	19867	2736	5043	4695	12432	4935	2191	8737	28623	22489	8804	9588	4644	5861	26818	15109	45301	8591	2662	6934	3157	8544	8356	13251	10047	13143	9781	4996	9417	12939	10383	20178	9381	15559	7921	0	0	0	12056	10614	0	12886	14123	11995	13966	7391	0	3626	2777	4473	31156	7445	15540	24272	3848	3396	4835	3986	7605	9993	22573	0	4929	6224	13360	8901	5742	12975	8548	0	8979	18425	8187	14641	5962	8035	3688	4210	5544	15716	13802	9984	64312	10686	12490	58674	7200	10742	0	13445	13204	1743	3216	2017	12305	7706	8009	0	32618	4498	0	14446	4529	Peptide	0.33333334	1.0	0.16666667
14	C12 H12 O4 N2 S1	281.05905	281.05942	0.22510634	281.0591	4099	4960	3162	2349	4199	4481	1972	2208	0	0	0	0	2303	0	1480	3987	4822	2994	4709	2266	0	5105	3249	5892	2884	0	1134	0	1863	0	1684	0	3294	1314	0	0	4761	1495	5722	2868	4232	3412	0	0	0	1623	0	0	2425	0	2655	0	3987	0	0	1461	1996	6679	0	0	0	3800	0	0	2195	1653	2331	6315	0	1561	1305	1251	2197	0	4269	1937	0	1321	6624	0	4535	2937	2924	1451	1087	0	10988	6469	4711	22003	0	4870	13553	3207	2254	0	4408	2397	1847	2142	1918	2962	2323	3075	0	5862	1826	0	5154	1742	Peptide	0.33333334	1.0	0.16666667
12	C12 H12 O4 N2 S1	281.05905	281.0595	0.23464082	281.0591	9745	7741	8393	9144	7147	7700	8047	13281	4024	2708	2256	8585	6277	1627	9987	20222	30461	7921	9007	6625	6519	32238	16680	31529	15378	1001	5983	0	9191	4794	9379	6116	15946	7366	5021	5550	9473	12427	27214	6623	9451	11091	0	0	0	10206	8683	0	7946	6985	12153	11644	7704	0	2876	1052	7692	24845	6181	15455	19681	2848	2048	2930	6592	9718	10709	26800	0	4329	3608	4798	5316	1629	8107	6796	0	10657	27505	0	16123	9439	10356	4545	2775	3916	23482	11240	11757	113715	8767	11969	61052	7378	9111	0	10441	12284	4365	1852	1545	9549	9585	5224	0	46699	3689	0	23454	7367	Peptide	0.33333334	1.0	0.16666667
18	C13 H12 O7	281.06558	281.06595	0.162816	281.0656	30618	33395	26846	28790	70138	55814	21010	15354	64430	14058	13247	17869	127742	56041	28151	17149	20476	93175	88600	13542	16661	26089	32748	24192	22958	4070	18876	8494	16716	12296	19577	21752	32990	13035	20505	12043	29084	26495	16723	12515	10433	31638	6233	3299	5970	17312	18369	5876	19989	10372	31210	28424	54381	3913	87325	59075	35769	24996	13322	6305	17670	11467	109774	69138	29657	94365	38321	13578	5159	5292	5163	12189	14942	14596	13690	18461	3538	17582	45834	20665	33943	18779	7518	5122	73019	45195	33142	35601	42817	14451	20706	25246	25423	17285	12040	5359	33137	29367	46080	70456	69898	22722	20137	12921	10901	19984	40058	3333	16402	106954	Phytochemical	0.53846157	0.9230769	0.0
16	C13 H12 O7	281.06558	281.06598	0.18820824	281.06564	65640	66458	59243	63666	148136	118337	35003	36811	149313	39416	29013	35496	262383	108596	54662	48204	38066	239337	212076	34828	35313	55120	73617	43763	40496	10860	35840	14570	35341	38079	42563	32830	63341	36730	44178	31615	73684	45854	37998	25784	28986	62446	6050	3227	5606	25304	29487	6722	43574	34459	60273	66813	107820	4582	157816	106055	67737	62128	28061	17510	43569	18130	233449	143333	51193	208905	91543	30139	20718	15392	18493	35400	34924	27653	29872	32229	4568	34575	79903	40051	56640	26561	16289	14825	139358	91503	65865	70977	83832	38010	36113	33774	59458	36999	28846	6280	62855	65924	82959	127520	130636	53724	35082	22888	24980	46241	97051	3992	34220	278279	Phytochemical	0.53846157	0.9230769	0.0
22	C13 H12 O7	281.06558	281.06595	0.19588105	281.06564	10156	10405	10872	9546	31163	15549	4882	5805	29272	3787	3565	6295	31367	15933	8713	4308	3164	31075	27936	2642	5187	10138	12481	5187	8566	2012	3743	2065	4090	3509	4954	0	8538	4615	3926	6880	6610	9328	5854	4204	1870	5530	3580	0	5998	6204	3966	6617	4259	4362	6724	4951	19756	3191	30405	20988	14972	6070	2451	3376	8562	2204	38037	25627	7940	31057	11933	4949	1988	0	2464	4233	2619	4509	1877	4097	4366	6186	15933	5320	16872	5264	2942	2240	32140	20624	11709	9723	14341	6096	4353	3125	8613	4803	4108	4196	7464	7838	16990	29597	22569	6001	7767	3063	3839	4340	13335	3322	7154	40395	Phytochemical	0.53846157	0.9230769	0.0
4	C13 H12 O7	281.06558	281.06613	0.17011736	281.0656	12322	14287	11072	13940	29665	10670	4056	4617	31131	9096	10734	4208	44997	13651	4517	6313	6077	31600	31674	7279	10536	11199	9110	6738	3004	3777	4746	0	5410	4427	4996	5214	7994	3750	14370	4480	7773	5489	7976	6647	8852	12809	1663	1349	2724	7101	6752	2480	5276	4553	11001	9087	16742	2080	28059	36873	11682	4820	4158	5162	7034	4201	51173	32081	12768	31902	9692	9378	7834	5344	8375	3262	4667	4982	3411	6099	1634	4280	9892	0	9679	5068	3827	2461	37221	13358	8461	11844	14944	6724	4955	4403	7717	8208	4514	4074	9437	11886	28829	54193	48149	8080	6455	6105	5602	5548	26106	1730	4118	52063	Phytochemical	0.53846157	0.9230769	0.0
20	C13 H12 O7	281.06558	281.06592	0.11799	281.0656	20133	19489	11634	13227	40268	24442	6426	9520	38337	8389	6670	10244	62643	31839	11765	11544	6145	45001	49667	6742	5195	11124	16312	12798	12116	4199	8757	1464	6718	11910	10358	7462	15779	9747	9616	5448	15968	15674	8377	5758	7894	14764	5055	4524	5079	11564	9846	5724	8215	6245	20744	17459	25978	3605	46044	35606	18820	9562	7750	5159	10080	3341	66858	35274	12546	49812	18955	5570	2918	3277	5923	8095	9291	6454	6300	8452	4370	8590	26993	7517	18497	6521	3364	0	48236	24992	26439	17753	19345	8455	9690	7444	13091	8276	10934	4529	18147	14481	30769	46381	42231	10677	13138	7162	7398	8836	28752	4936	8244	67609	Phytochemical	0.53846157	0.9230769	0.0
2	C11 H12 O3 N4 S1	281.07028	281.0708	0.103892595	281.0703	5766	6513	6204	4801	1260	0	14240	16015	612	0	1377	12620	1322	8185	13250	40312	42122	5277	1963	0	607	0	17676	58652	18197	0	6768	0	17485	10385	7485	12996	14699	17578	507	13785	15180	10303	45532	0	0	3930	0	0	0	9754	0	0	10960	8761	6100	5078	2738	0	1150	1248	1965	34545	0	0	34414	0	0	1320	2834	2161	5865	40391	0	3399	794	9065	9138	9879	17115	10561	0	7763	12844	0	9707	1188	0	0	2408	5820	22070	6847	6163	25310	0	0	8662	0	0	0	7518	9774	1092	0	1671	15921	12681	0	315	32491	2441	0	29236	0	Peptide	0.27272728	1.0909091	0.36363637
16	C12 H12 O6 N2	281.0768	281.0772	0.20270172	281.07687	6726	8198	8705	5761	6707	6746	7817	7575	5282	3116	2533	10306	8069	3536	9650	10950	14002	11029	7961	0	0	14266	12418	14000	8322	0	6392	0	4248	3620	5194	6779	8309	6765	2272	3651	6370	12509	22250	1574	4334	5292	389	428	306	5076	1860	477	6756	6197	4069	8781	5020	518	4778	2967	5458	17456	4506	3259	11940	1240	6846	7198	5312	6909	7632	17721	0	0	0	6661	3480	0	6774	4199	0	7642	16424	4119	10046	1718	2814	0	5714	6619	19670	11831	8508	49906	5186	3790	0	3016	2755	0	10145	5488	4753	2663	4081	7463	7617	1936	0	18470	3564	0	12497	9660	Peptide	0.5	1.0	0.16666667
6	C12 H12 O6 N2	281.0768	281.0773	0.17969033	281.07687	36946	43777	38185	42022	55070	30451	14367	28644	68976	28504	26029	26339	84016	16119	20485	44135	44516	83962	87276	18541	35826	63061	35360	40458	12250	2458	18322	10407	23549	18090	25811	26447	43492	24804	35149	21523	43306	25315	58377	17648	39822	38430	0	0	0	17788	23813	0	31097	22894	43467	39511	53082	377	78001	45467	34873	46283	16779	26430	38595	15233	101661	72924	30108	73313	46980	60879	7559	6913	14596	19482	22114	11391	21123	17443	0	16097	29809	10174	22991	10787	8694	6290	52157	28409	37519	68511	52766	84104	12108	22509	86112	29114	22561	346	41428	36635	35987	47610	48342	45244	25538	22949	11384	52335	38739	0	18123	160633	Peptide	0.5	1.0	0.16666667
10	C12 H12 O6 N2	281.0768	281.07727	0.20106655	281.07687	48499	43498	42996	45071	56000	42765	22490	35689	61196	34213	32090	41560	87897	21601	38053	46321	61620	91740	89885	23482	35659	74309	50791	47476	20004	2548	29378	17348	28548	22385	19434	26253	63562	28938	44885	23972	50333	35169	67849	32080	58737	46355	680	0	371	21943	29890	0	36972	27187	43256	44782	53571	0	84347	36717	31730	47740	29434	39734	47837	24159	77876	87470	37129	73513	50244	76743	11720	10112	21254	27779	19300	13774	31815	23218	0	25119	51356	25937	37400	17556	16529	7674	44345	31048	52346	61595	50836	107389	26856	41617	102586	42527	41209	527	46223	42010	36910	41200	37170	52547	31393	29230	0	60887	35366	0	27827	129337	Peptide	0.5	1.0	0.16666667
4	C12 H12 O6 N2	281.0768	281.07736	0.134411	281.07684	10495	9809	9520	8885	17548	6717	3768	8622	19310	6347	7143	8051	25202	4364	5967	9339	13215	19766	21441	6773	10960	16010	9403	8385	3225	1553	5503	0	5126	4348	5922	5084	11068	4815	9987	5129	8944	7343	14936	6258	11755	12384	0	0	326	5055	9153	0	6644	6403	11123	8740	13687	395	19102	18449	11048	8770	0	7176	10926	14260	33722	21312	12212	20554	9348	16327	2960	2107	3305	6011	4380	4064	4140	4748	0	4618	7770	0	6730	3445	2636	1897	20808	10220	7627	17422	13893	20070	3845	5358	20595	6376	4641	0	9525	11307	17097	21820	19813	7966	6231	6635	0	10281	14336	0	4717	43044	Peptide	0.5	1.0	0.16666667
12	C12 H12 O6 N2	281.0768	281.07724	0.20247692	281.07687	36127	41122	40988	40641	46054	29701	22934	33144	42740	17126	24720	29817	43534	16388	27528	49486	51577	61716	63291	13548	25226	58269	42859	69593	23136	956	19998	12373	24003	19540	23558	23415	40182	22896	28552	15020	42315	32269	57557	21198	50620	36477	593	0	312	19591	21741	428	33568	22221	36447	34887	45870	408	50489	23853	25077	48717	15238	26734	47048	13809	60567	48051	24704	54408	35078	54016	0	8045	10275	26518	20206	13069	33586	22253	235	25977	63889	17400	39392	15038	18455	5387	28131	19899	65640	46483	39446	188218	21887	35666	137080	33035	22598	677	37951	38450	28827	22794	26027	45622	28548	17009	0	62774	29558	0	37503	99702	Peptide	0.5	1.0	0.16666667
2	C12 H12 O6 N2	281.0768	281.07736	0.18268007	281.07687	4348	6085	3411	4531	14078	0	1792	3730	13562	2235	3678	5133	24259	3747	3183	1922	2856	15785	14310	2634	5087	9236	4609	4417	1755	422	0	1379	3358	3111	3712	3881	8903	3377	4745	2973	5627	3058	4000	2721	3719	6326	0	0	298	2444	2310	0	4145	1554	5194	5379	9848	0	13731	6759	7036	5952	2116	2496	2029	1006	32253	14999	4788	20189	8056	3954	1031	1496	2483	3664	3180	2050	1610	2678	0	2481	4407	0	2818	1182	1053	919	8146	3928	3122	14186	8737	7178	1811	3154	10359	3270	692	0	4416	5242	6136	9862	7839	4316	3625	2817	1823	7964	5601	0	3215	34965	Peptide	0.5	1.0	0.16666667
14	C12 H12 O6 N2	281.0768	281.07724	0.19285804	281.07687	19211	22592	20084	17736	22112	20423	14622	17906	17685	5556	11580	15728	24398	6349	20459	20629	29051	34528	35163	3310	7881	29138	23410	21730	14114	0	13774	0	10845	9640	11579	9830	28616	13437	12362	8989	20587	16084	29417	10359	19921	18840	0	0	404	5339	6310	0	12459	11674	18353	19331	24016	304	22351	11314	14659	20421	0	13118	0	7774	24699	29852	11971	28301	16129	34506	0	3142	5666	9700	9128	2480	16325	10071	301	11900	26673	18283	22577	4334	6420	2239	13937	11539	23217	27082	25064	64783	7707	14307	58239	12821	12950	491	17299	13517	9683	14542	10682	22124	16522	7576	0	28226	9933	0	18182	36460	Peptide	0.5	1.0	0.16666667
2	C9 H16 O6 N2 S1	281.08017	281.08084	0.3228744	281.08026	0	1072	730	0	712	0	0	0	547	410	5636	0	739	918	646	0	553	1058	995	0	482	912	702	0	444	0	0	18024	1333	0	0	639	1157	480	0	0	716	364	421	387	449	0	650	344	0	571	0	676	0	533	1248	611	725	314	457	671	372	1019	0	0	632	260	817	349	0	908	649	0	0	0	0	627	687	530	0	757	515	421	341	26257	432	0	488	0	0	373	508	876	1036	0	10528	5214	0	8601	0	1033	0	672	828	559	335	783	1064	254	568	1969	223	372	0	907	Peptide	0.6666667	1.7777778	0.22222222
0	C9 H16 O6 N2 S1	281.08017	281.08054	0.12595046	281.08023	0	0	0	0	0	0	0	0	0	0	4145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22272	1802	0	1497	1838	1360	0	0	0	0	0	867	0	0	0	0	456	655	0	0	574	0	0	0	0	0	285	597	557	0	1766	0	598	0	0	0	0	0	0	0	0	459	0	0	1833	0	0	0	0	780	0	0	13264	0	628	0	0	0	0	0	0	0	0	15269	6121	0	7128	0	642	0	0	768	599	0	0	0	0	1053	1223	0	358	0	0	Peptide	0.6666667	1.7777778	0.22222222
20	C17 H12 O4	281.08084	281.0812	0.17177387	281.08087	19130	20997	19960	16050	34030	17168	34443	14727	16978	24630	33197	11468	15783	15944	13123	14590	14427	27187	30113	18020	17791	28681	14764	15610	13478	32571	30034	27129	10363	10490	8749	12598	11855	10771	35119	9725	14070	12675	11988	20247	29450	15844	4091	2048	1925	19153	21920	5539	11490	10497	19319	17196	22016	3791	17310	14223	16711	22201	7412	13064	23807	14331	25052	14347	15601	22770	21699	20793	22533	24973	33668	7436	10170	8341	8399	14042	1478	8202	28665	35748	17746	14391	14498	24988	17440	12839	27763	21798	21898	34251	23351	20949	25581	25377	22905	5069	16921	14932	18525	16552	19500	17014	11351	15229	17048	17688	19057	5596	16096	21872	Phytochemical	0.23529412	0.7058824	0.0
16	C17 H12 O4	281.08084	281.08124	0.21031474	281.0809	8809	14713	10348	10195	19904	10690	8209	7372	11971	16374	14012	8011	9480	16260	7526	11220	7268	11876	23519	17701	21001	23180	9100	10154	8206	21307	8491	15940	9274	6164	4074	6977	11434	5415	22672	5167	10312	7834	8836	13084	15586	8495	1603	617	785	13331	15350	1202	9117	9662	12338	12435	14446	1295	10608	10661	6484	11853	5585	8833	9132	11569	15896	10148	4422	14924	11607	10315	22516	28594	37864	7991	6153	7033	6939	6724	948	3950	14532	10495	12568	12799	6032	8820	11640	12030	14242	10277	14117	0	9924	14923	0	15192	24255	2256	10728	12287	12884	11387	11081	8607	5674	6759	5640	0	15885	1010	11297	11818	Phytochemical	0.23529412	0.7058824	0.0
14	C17 H12 O4	281.08084	281.08127	0.22776131	281.0809	7387	10632	10475	10140	11065	4906	7230	5316	9366	13624	12362	6281	4063	3787	4194	9366	3016	9172	9016	10756	13588	14752	5598	6478	7305	17731	6716	7277	7198	4781	5003	0	8041	3850	17841	6620	6592	3933	8616	8151	7574	4870	0	505	862	5080	5684	1084	5320	5008	6150	8381	9772	522	6479	6335	7662	8429	0	0	0	2763	7629	8191	3134	8452	6018	5100	16914	18730	21133	3933	4693	4309	4224	4988	424	5334	12398	0	8173	8172	4888	6009	8822	4454	10412	4964	6904	15061	8673	7118	14712	7610	9076	1275	7386	8932	6062	7696	8056	7027	7005	5106	0	9221	5887	531	6786	7985	Phytochemical	0.23529412	0.7058824	0.0
18	C17 H12 O4	281.08084	281.0812	0.18638219	281.0809	19843	22971	16192	18966	39512	14577	149681	11293	14266	26203	30218	13319	18030	20677	13952	15594	13251	27755	31387	25392	22324	28903	15196	19165	11283	41483	161288	22994	10873	9950	11691	8436	12303	10761	36595	9096	12870	16174	13093	21794	21209	12631	3281	1671	1963	15392	13700	4352	13021	11368	20444	24535	17432	3128	12925	14450	12916	14789	9099	11373	17383	12348	19508	16368	10724	27185	22265	16283	28100	33297	35843	7040	6413	7304	7941	10116	967	8321	29345	34401	17623	17677	10487	14688	20699	13196	29760	20011	18007	26674	24126	19321	23607	22256	34709	4398	17946	20922	19081	17545	15458	14790	14746	14160	7274	11102	19290	5274	16413	16126	Phytochemical	0.23529412	0.7058824	0.0
22	C14 H16 O4 S1	281.0842	281.0846	0.2000787	281.08426	5920	7025	7802	7292	7880	10995	3020	2061	6663	17836	11325	2363	7938	4717	3262	4717	3458	9213	5933	18847	19758	21337	3711	5116	6048	4338	2072	14141	1726	1308	1425	0	4669	3674	20636	2019	6006	5019	3622	15326	13994	3761	0	0	0	9224	5652	0	3309	0	10350	5752	8175	405	5609	4035	5178	4945	10526	8269	5336	9641	2365	3600	4673	10085	7103	3799	4850	8498	5404	1533	1014	0	3053	2444	0	0	7167	16294	2424	7259	8971	14361	6101	5500	8889	5996	7088	8625	31611	34530	6044	20982	23683	0	6558	6611	8806	2038	5096	4431	2321	7739	12087	4190	10447	0	4999	5853	Organosulfur	0.2857143	1.1428572	0.0
20	C14 H16 O4 S1	281.0842	281.0846	0.20548597	281.08426	16963	19373	17138	13609	14746	20021	7514	4030	15225	61560	34141	2288	21455	8481	5675	6614	7901	25997	22184	64379	56364	54438	5747	7463	9468	13408	3878	34588	6813	4251	4293	5328	12880	5765	49284	5057	9527	7374	7983	42171	32729	14038	924	0	609	21622	23100	0	5291	0	18676	23700	16463	406	12230	11461	7854	12214	26357	19149	9589	33386	7545	10321	9667	19447	14064	6860	15497	14763	19884	3929	3163	2323	6745	5068	531	3158	11589	41295	5560	15166	19559	26689	13254	9547	10181	18132	16314	14690	77099	81405	9945	58909	69456	0	18371	18877	16178	11559	10788	5890	3674	27858	23887	7637	16928	0	11263	18693	Organosulfur	0.2857143	1.1428572	0.0
8	C10 H16 O9	281.0867	281.0871	0.22963713	281.08676	0	1682	0	0	22184	2680	0	0	712	0	0	972	3448	15357	893	0	0	2321	3072	0	0	0	0	0	0	0	890	0	0	777	1259	1579	1467	1845	0	1288	1528	0	0	0	0	2252	0	0	0	0	0	0	2072	0	0	1062	10685	0	0	0	1196	0	0	0	0	0	0	0	0	2301	2304	0	0	0	0	2242	3891	1718	2760	1162	0	955	0	0	0	0	0	0	1540	0	0	1209	1379	0	0	0	0	0	0	0	0	0	0	0	0	0	1342	0	0	1567	12471	0	0	1192	Unclassified	0.9	1.6	0.0
8	C18 H16 O1 S1	281.09946	281.09995	0.29288957	281.09955	23287	23554	26357	21840	46717	96927	25158	21008	14832	4228	4632	18046	20269	38565	14442	54397	44979	21002	18143	0	1593	9162	11766	34635	6131	0	20861	7848	22893	25607	35317	43442	29690	60972	0	22947	33119	19762	52821	0	2689	17209	1816	0	0	4862	0	0	32726	25456	17804	22541	30592	0	7333	8334	13823	68754	4604	3395	37215	0	23562	8184	18732	43187	44005	100912	0	3106	0	42794	37089	17510	248258	20576	0	13342	13040	0	10231	3033	11196	9279	11303	19705	21702	52063	30426	63537	0	0	21373	2787	0	0	24626	15024	22369	10404	10282	26243	17551	3231	0	31207	15900	0	13392	11081	Organosulfur	0.055555556	0.8888889	0.0
12	C14 H16 O6	281.10196	281.10242	0.13868718	281.102	1268611	2888200	1398814	1435534	3390200	1163913	871891	1885456	1923388	1794590	1197753	1176920	1963816	834260	1589596	1197209	1844796	5113962	4990030	2057338	2086060	1464566	1896468	861975	646594	1402637	850095	1038124	1112180	807259	1714136	1036698	1548027	991176	2290253	908976	2758450	1631616	2167430	3169722	1607011	2149764	56838	26047	34610	930143	899022	33317	2209842	1621448	2904148	1444813	1517627	25390	5621442	1434535	1973258	2333958	898080	855577	1248485	1101948	4598012	1966948	714309	4021396	2284658	986129	1554777	2030102	2101743	778195	867835	760112	1824442	1931190	20366	765160	2157842	911176	1730966	828504	1721828	1046198	1456320	990358	2383072	1929218	1198730	1057600	1153935	1436663	2022560	1038353	2893596	44611	2933536	1455668	1547992	1480776	1540247	2733842	711360	1087360	599236	1667386	1599444	28160	1262374	5428884	Phytochemical	0.42857143	1.1428572	0.0
8	C14 H16 O6	281.10196	281.10242	0.16916996	281.10202	1060768	1216378	841676	1155906	1273052	777666	641404	813298	756930	1240900	857824	685888	1712634	330175	368878	507079	977568	1576234	1961750	1539124	1544222	1187522	898086	893536	435352	1189704	318924	347047	420628	739444	689222	855934	1005472	725966	1634704	378395	1044920	351152	1130702	1146370	643923	924840	31578	20224	32076	424297	926842	23635	940462	727402	1073988	1073306	1079982	28257	2066644	642749	829844	931892	734748	825246	487554	809582	1657952	1616632	308697	1387652	437962	510731	697479	1590580	1002058	339960	734936	631146	709746	866722	20038	310959	1170480	268646	431387	672748	714590	715816	1322368	366611	1050938	808982	1020670	511480	317586	454395	1003142	847374	1002490	38354	1105882	555582	1280652	1547724	742827	1091800	663528	1044266	243690	754070	660191	17673	573544	1748410	Phytochemical	0.42857143	1.1428572	0.0
14	C14 H16 O6	281.10196	281.10236	0.13688818	281.102	1300253	1261818	1146018	1257875	1705297	1309301	790046	890377	1990788	1585520	971884	605589	2591673	950541	898546	965041	1610476	2693975	2207237	1777360	1813896	1306073	912121	841482	724677	1056639	1442622	899696	966220	836396	762622	1026082	3004906	1817346	1996380	967730	1362365	748467	1739566	1463351	1149492	1050339	62108	26208	31902	823918	692326	34832	1008409	662657	1189884	1096871	1464387	28227	2797599	1481326	859659	2368090	913931	662798	987470	974783	2154598	2034776	721016	1959390	1151327	1539704	1097292	1580695	1478758	780102	814847	813372	724245	891749	24312	712251	1020057	821890	819814	657857	797643	948259	1524045	931716	2112240	2026150	2494934	893214	1186407	1182611	2082212	899573	1205647	50801	1262094	1259115	1359706	1577390	1479812	1235837	720062	1113472	551271	830819	1322493	32320	1251344	2212541	Phytochemical	0.42857143	1.1428572	0.0
2	C12 H16 O2 N4 S1	281.10666	281.1072	0.21466416	281.10672	14285	15352	12319	14286	9755	0	33905	39593	3601	518	0	9826	5348	24146	16321	10714	58608	19022	9781	0	0	3809	17598	24866	14533	0	0	3620	37437	15991	27851	32629	36399	32443	0	27627	46906	12079	52073	0	0	8133	0	0	0	5706	548	0	21858	18446	12951	13849	16448	0	784	2281	1519	34910	0	0	6439	0	2721	1944	4866	9241	13716	53953	0	3359	1860	31034	14767	21099	5652	17790	0	10883	17855	5583	17486	0	0	0	2884	8868	25572	14907	16863	33206	1417	0	22209	687	0	0	15006	13543	3264	1721	2683	24181	8190	239	446	40195	3143	0	30306	3113	Peptide	0.16666667	1.3333334	0.33333334
0	C13 H16 O5 N2	281.1132	281.11374	-0.015815763	281.1132	13589	13934	12655	12184	18609	12219	5607	21426	16047	9311	7204	9232	28014	7507	9409	4398	12173	29489	24391	11832	22498	22269	13206	19406	8890	2927	3025	5955	23933	8093	17063	17762	28591	20001	15927	19065	25380	8915	16996	10796	8367	22309	0	922	1302	9731	4963	893	23852	12418	17094	13705	22320	686	18251	19975	9049	26195	7838	7640	9803	4820	29827	20624	12248	24542	26097	17169	3107	5483	3770	15948	20334	13197	3365	16141	1103	9664	9129	3320	7386	4219	4668	3500	12921	8869	9021	23237	24908	12801	12693	12963	30461	7444	4438	1264	13705	15413	10013	22291	24219	17806	8042	14578	4461	21192	16447	1106	6856	41121	Peptide	0.3846154	1.2307693	0.15384616
12	C13 H16 O5 N2	281.1132	281.1136	0.050247777	281.11322	197542	204150	194331	210136	161548	138262	204050	235485	126401	105546	81613	142237	108434	57830	165970	283539	312559	224102	229293	127201	129281	280935	192844	272507	178986	31984	183657	82993	236663	179030	204083	231129	305621	241374	147889	210732	303131	176426	375603	127305	146586	173469	3230	1951	1744	129141	110953	2153	284081	176393	197650	190630	189713	2299	147559	60567	116674	303095	131985	137775	264990	84290	106940	114987	92697	177091	162154	336814	60906	73805	80510	197303	191213	156490	226141	194375	928	164919	196230	120589	159807	101057	136737	62421	79697	101613	217211	194330	195673	457877	208251	250075	476721	115411	132249	2743	202648	216619	112123	65361	70555	280151	153120	159686	63786	303359	147583	1606	195468	228748	Peptide	0.3846154	1.2307693	0.15384616
2	C13 H16 O5 N2	281.1132	281.11374	0.110789835	281.11322	185831	190806	158456	171740	163702	122094	76029	126580	159629	92692	535077	124131	201382	57802	88358	66588	219922	215251	194500	70755	137013	175803	121066	117738	47567	15021	38719	1221077	131778	82523	128861	125731	216893	113702	121041	102716	163767	100859	249037	78866	106286	161076	1600	1082	1254	58102	76069	1213	127965	76693	170953	172276	169181	1205	172218	94915	102746	169528	56803	94969	67445	45875	225753	180113	103316	223415	172614	284715	32332	45264	54385	97744	107566	77446	58091	105347	865	80403	113723	2106078	88872	39566	44216	30147	119937	91700	115436	226985	198674	237413	1453807	778982	218271	1179329	70962	2571	180352	169536	104689	154864	151136	133786	106926	83195	50634	178424	113983	1162	82814	287620	Peptide	0.3846154	1.2307693	0.15384616
4	C13 H16 O5 N2	281.1132	281.1137	0.066531464	281.11322	309742	368875	323777	329623	215177	185615	147618	312839	255762	184371	222644	249942	232273	76016	252549	355337	495181	363648	387445	207879	246327	416919	308010	377410	153265	43387	168546	438863	222322	213645	274899	230277	364521	201823	263118	246957	343087	249331	599535	187880	276407	303846	4139	1464	1502	225332	279597	1681	298672	292597	328316	274340	274178	2271	323835	175019	217204	319779	189303	294347	340971	135035	280157	293178	164459	278576	230639	484040	90457	96945	125247	218658	201927	219505	208164	216509	1054	208294	260883	1599346	248767	148262	156870	77014	228089	219190	226709	335993	324538	532408	1400855	659603	591234	475250	216266	4331	305161	355562	203943	223079	225916	344822	248100	291845	160198	369931	216610	1551	194761	388247	Peptide	0.3846154	1.2307693	0.15384616
16	C13 H16 O5 N2	281.1132	281.11362	0.20065607	281.11325	27792	34018	28359	26647	21617	23583	31529	37381	14993	11034	16187	30280	18059	9074	39639	49082	51328	38419	28192	9418	10934	50626	36617	49127	36751	3717	26753	30399	29007	27266	33444	33681	53779	40281	20720	32375	53271	26822	64529	18443	13615	22399	1943	2477	1877	17271	13147	2354	48590	29146	30083	33562	28916	1744	17662	7488	17205	48966	16995	20776	47138	10173	15682	17749	14850	23904	22055	56406	8636	12191	10406	32189	31320	21598	31570	30177	1209	22819	40145	44136	26426	12870	19613	10068	15275	19042	43519	42935	30863	70839	49276	50024	80682	17300	17625	2741	30387	30135	11374	10333	10549	48383	26169	17366	6217	63457	14441	1972	38162	33150	Peptide	0.3846154	1.2307693	0.15384616
8	C13 H16 O5 N2	281.1132	281.11365	0.07777609	281.11322	519319	599136	473373	540483	269328	251560	349860	481427	313998	291669	317229	404724	294843	103262	406324	666740	660080	425106	556408	334955	351630	620576	441147	633110	326145	76864	372726	569481	454605	416769	424104	512696	593936	479242	376740	434316	622453	382055	830716	365001	445090	385630	4671	1530	1433	350045	381478	1272	577841	445845	474958	524165	333843	2271	427132	158248	241249	528491	351096	411448	543701	247915	286116	348033	207235	337167	326270	761257	130907	187531	215903	477311	449201	332037	408517	446535	988	343896	457166	1548780	363721	264661	326319	170476	218361	216935	440837	441596	449026	996664	3498251	1977692	990830	628690	366648	2998	537936	518366	210659	190333	184992	583761	371396	467306	178024	619196	236300	1359	386754	467965	Peptide	0.3846154	1.2307693	0.15384616
6	C13 H16 O5 N2	281.1132	281.11368	0.0762154	281.11322	541661	616089	528288	561534	348215	287453	349889	566644	418268	363821	382229	385630	381133	133813	434303	723458	592182	632276	709887	373185	436740	700116	478949	717505	294937	82652	330808	453460	477303	447159	506669	537916	748286	505089	443180	471017	697469	431049	784735	312133	523015	410049	4310	1138	1444	414952	506416	1130	627536	485678	586624	587051	421319	1942	531963	220962	278542	678054	370324	508953	656374	261270	424967	386194	221670	437002	435036	833194	156412	214595	284834	480222	446323	397222	332197	415428	1072	320920	400192	1049650	362851	285963	334193	186105	280898	298384	467112	501131	510393	1098049	2054204	1073932	1118319	601254	433693	2338	555108	493409	220679	214732	250363	688721	401543	512517	257364	735372	287240	1308	354053	646693	Peptide	0.3846154	1.2307693	0.15384616
14	C13 H16 O5 N2	281.1132	281.1136	0.09073172	281.11322	103020	105944	94183	98878	72365	61213	112469	90245	49100	45391	52638	80628	58718	28086	96093	121325	151775	93161	85974	50145	46028	133762	97264	109192	88859	13705	88316	227082	89575	81949	87203	104145	150739	100127	61579	94255	136521	85225	165337	54495	70830	70301	3136	1842	1905	59734	59660	1678	121853	78983	93169	96908	83454	1551	66134	26565	56442	157712	78697	68220	124408	39552	47749	57340	47139	85852	68109	156488	27287	30640	38912	87861	86628	72889	103554	82787	1217	74567	107908	115896	88161	43654	69453	35593	35429	45924	124355	107970	100891	224899	168409	149653	235016	65796	64991	2568	88255	85132	37443	36365	32392	131548	78239	88616	28409	140010	39442	1706	124348	77221	Peptide	0.3846154	1.2307693	0.15384616
10	C18 H16 O3	281.11722	281.11758	-0.01180791	281.11722	7955	11823	7995	9458	6165	3496	8509	7155	6680	5482	5553	7915	3674	3345	8521	12061	11214	5605	7315	5346	4521	14321	7775	16901	10668	8332	9555	3230	8089	7607	9276	6164	9696	9394	9125	9282	8081	7422	13119	7287	7447	3628	1277	1366	1021	9492	7548	1510	9129	7069	8141	11008	3347	895	6460	4668	4349	17302	8269	7947	10364	4352	5285	5286	3711	6353	3526	8975	7170	12645	13613	4796	7588	7976	6177	11370	607	7321	13373	0	12315	9989	9081	4540	5687	5334	12662	3411	6079	29323	8843	4057	24897	5691	7392	1464	7448	12548	5503	5819	3903	8903	7970	9103	0	11844	2949	982	15877	4426	Phytochemical	0.16666667	0.8888889	0.0
20	C18 H16 O3	281.11722	281.11758	0.1493848	281.11725	60469	54964	54007	44772	54581	35062	32451	58074	42974	65030	70854	35359	47426	53661	50055	67728	50031	55982	80508	74830	76024	61187	38760	66724	48945	144907	34224	63585	49005	38263	39125	48069	53072	48011	80638	48157	58797	33330	48671	70006	79285	52048	7644	3112	3698	50253	52316	3200	53342	39866	52199	50286	45734	6199	33453	32188	35633	67646	36807	39710	58787	38567	41969	33898	30398	57402	55756	50012	106906	118609	169453	44963	44399	39002	41628	47122	1330	33639	54514	61043	42574	37128	40662	53639	49742	34409	67840	53928	46257	73437	58615	56164	88119	52765	56031	12142	59956	68501	49249	40060	42680	64299	36547	53878	35468	62599	34742	2627	49373	54289	Phytochemical	0.16666667	0.8888889	0.0
14	C18 H16 O3	281.11722	281.1176	0.109026805	281.11725	22611	31277	24029	26168	18076	13284	22204	31278	12248	28594	17166	20120	17038	11385	21529	35053	26830	21065	23600	33374	26867	35021	26186	38087	29579	31926	23578	14664	20650	29719	22005	23856	27474	17676	27195	21023	21194	19867	28160	24584	30421	13064	0	1138	640	26528	40130	1533	25523	21397	25998	24431	15445	1059	19881	13294	13707	38696	20250	21426	26216	12895	20479	16337	11384	16895	13874	32363	29541	35391	45246	20451	21012	23591	23240	29685	680	19122	37563	19015	29694	22496	20710	19044	18271	14769	34360	15625	15614	59360	17314	16151	58114	14704	17501	1808	28096	17782	12798	22078	22540	25299	22474	29350	16029	30149	13496	998	33707	14695	Phytochemical	0.16666667	0.8888889	0.0
12	C18 H16 O3	281.11722	281.1176	0.022085639	281.11722	17151	15103	15288	16575	9884	5469	11704	17238	9089	15132	14314	12360	6981	7599	10620	25850	15857	11475	10885	19062	14156	18556	14095	23153	13125	18263	17476	12590	12505	18545	15315	17623	17316	10850	18395	11573	13054	13136	21437	13262	16515	6263	1383	1106	1193	16218	17756	1153	17099	17840	19771	17745	7847	765	11539	7320	8886	19392	19834	22824	0	6183	9691	8314	6836	9463	8357	21469	23848	20214	21922	11472	10439	14116	18532	18716	792	12686	22560	0	18279	15959	14363	10771	11563	6659	20124	8948	11829	36839	9858	18812	25856	7171	13864	1155	13450	18074	11425	10201	9095	19722	13430	17304	0	20371	10820	1033	18427	9050	Phytochemical	0.16666667	0.8888889	0.0
18	C18 H16 O3	281.11722	281.11758	0.16732167	281.11728	52092	62634	55306	45172	46274	29544	37549	53898	35122	62768	54704	30385	43415	32876	43674	58952	49665	48890	69989	70194	78407	58895	43798	72308	45455	113367	39770	43056	42858	40830	42059	43968	56829	34152	62442	37028	50845	34050	46391	60938	67808	35056	3284	1371	1552	40191	45796	1819	52319	41112	58484	48309	43406	1932	29471	37470	34422	62620	33557	33953	53510	40198	46928	32041	28418	50477	39355	56674	88863	104745	146660	40201	31737	44713	36056	65548	1113	26133	53415	42656	42171	44768	37076	42001	43150	35228	58203	44974	37063	82835	63196	55259	91676	43010	49846	2686	48921	43124	34499	38520	35097	46063	36266	50202	23035	46485	29066	1291	46926	39021	Phytochemical	0.16666667	0.8888889	0.0
16	C18 H16 O3	281.11722	281.1176	0.15119052	281.11725	29024	31459	29679	38061	28757	23868	31780	35702	25827	33996	27281	27371	28708	22782	24653	42145	39091	33596	34469	41405	45826	40437	30169	47082	26747	67882	31157	26236	34357	29675	32624	31554	41703	30290	55773	38807	38621	30213	49048	32451	41767	23675	2243	1014	1302	31555	41891	1559	46195	36870	38081	39234	26972	999	20914	24436	21378	49796	28816	32065	34925	21459	29973	20437	19677	24732	24682	43688	58636	67026	82208	32895	36835	30416	31854	33041	1218	26616	50094	28964	31529	28869	26456	24509	33350	23965	45200	28444	30290	70695	31184	33620	53337	27191	32310	1765	38575	29687	28204	28881	33255	40217	24751	34005	14264	53011	22221	1143	42725	31416	Phytochemical	0.16666667	0.8888889	0.0
10	C11 H20 O8	281.1231	281.12347	-0.0293348	281.12308	27336	30027	26726	27934	79444	29432	3070	0	9394	13347	31360	1219	20560	105256	1166	0	0	10403	14331	0	2859	0	0	0	2184	5570	1718	92174	0	0	0	0	0	2299	9351	0	0	2085	0	26935	2107	28854	4252	2268	1336	28776	3416	3333	1164	0	30064	27150	53121	1576	19113	13134	33615	1766	140297	0	0	64239	17781	15453	74398	101780	148911	0	0	5906	4922	1143	0	968	0	0	1019	0	2407	55860	2179	15658	1226	0	13614	27892	0	7055	9341	0	21645	14912	0	9290	3928	1773	30150	27649	10799	2717	7595	1150	0	4745	1896856	0	21463	3635	2735	7530	Unclassified	0.72727275	1.8181819	0.0
8	C11 H20 O8	281.1231	281.12363	0.032521773	281.1231	2298	0	0	0	7269	0	0	0	1982	0	11152	1238	1165	3345	823	0	0	1017	2043	0	0	0	0	0	0	0	1262	24354	0	0	0	0	0	0	0	0	0	1090	0	0	0	3047	1880	499	976	0	0	558	0	1036	0	0	2440	1036	1212	0	2836	0	0	0	0	0	1128	1252	2966	2884	1637	0	0	0	0	0	0	0	0	0	814	0	0	39251	0	0	0	0	1748	0	0	1000	0	0	0	0	0	17592	1746	0	0	0	0	0	0	0	0	0	0	0	0	566	0	949	Unclassified	0.72727275	1.8181819	0.0
0	C12 H16 O4 N4	281.12442	281.12497	-0.08165389	281.12442	3977	4164	4596	3766	4647	0	2442	6494	4407	2239	1203	4233	6129	0	2514	0	5312	6503	5317	1612	3584	6503	4219	5750	3001	0	0	1965	6341	3103	5645	3588	9235	4557	22360	3472	5459	3508	7661	2658	2844	4540	0	0	0	2686	1664	0	6674	3635	4922	3408	4976	302	4377	1810	2875	7370	2068	2309	2595	1288	9035	4542	5612	4524	5355	6235	502	0	0	5827	4606	2630	0	6082	0	3873	3374	1557	3635	716	2017	0	2525	3086	4020	5688	4428	8142	3243	3474	10457	2070	0	462	4498	4132	2699	2433	2817	3931	3692	2077	1176	8840	4082	0	3427	8500	Peptide	0.33333334	1.3333334	0.33333334
4	C12 H16 O4 N4	281.12442	281.12494	3.44847E-4	281.12442	6785	5085	6847	7509	7200	3231	4903	8446	5862	2555	1682	6264	6442	1621	5543	9695	16139	7991	5774	2231	2999	10870	7719	8718	5242	701	4141	0	5748	6169	5466	4740	6522	5453	4180	6198	7495	5965	20056	2863	4864	4758	0	0	0	4428	4091	0	5517	6994	6087	5563	5893	0	6433	2606	3952	9323	3913	6001	9048	3221	5241	5940	3549	5100	3386	16214	1102	1333	1980	5801	5458	5892	5407	5588	0	4880	7822	0	7586	3504	2700	1385	4365	5051	8838	5679	4283	17343	4108	5554	16999	2126	3497	0	5943	7703	5713	4144	3457	7133	4345	4920	0	8958	7264	0	6556	7012	Peptide	0.33333334	1.3333334	0.33333334
16	C12 H21 O2 N2 S1 Na1	281.12943	281.12982	0.11695586	281.12946	7494	6452	0	12514	10342	4906	6692	5182	8580	13142	8446	7443	8478	6902	6052	12219	11797	10928	15772	20190	10978	5734	7306	12554	7908	10186	6530	8826	6000	6721	10307	0	12264	5594	15132	7252	13908	4702	3292	4716	6640	8088	0	0	0	5731	8886	0	11125	3904	6232	12420	10288	0	10754	10248	6840	12033	3612	8162	0	7638	10240	14150	3844	14206	7526	8148	10414	14678	15012	0	4340	5818	10171	5882	0	4190	9056	0	4764	5552	8906	6090	6642	6398	11882	8230	6742	0	6858	10496	0	4056	12036	0	7352	10324	9510	11488	7564	7846	1420	4306	0	0	9464	0	8682	14484	Peptide	0.16666667	1.75	0.16666667
14	C12 H21 O2 N2 S1 Na1	281.12943	281.12985	0.13254276	281.12946	7156	6128	7444	8116	11048	4032	6884	11304	7852	9904	12595	3488	15402	5996	6452	6662	9278	12060	14452	21294	11752	0	10256	6638	5170	23811	7878	0	8658	4112	6512	0	10422	6520	7500	4098	9530	5762	8293	13674	11396	7242	0	0	0	7142	0	0	10706	5882	6382	4842	9502	0	16508	8666	4170	9936	0	0	0	9780	11964	7960	5454	9512	10348	7986	0	22914	20342	6952	6418	4460	8186	9146	0	5482	8778	0	9972	0	4834	6766	11472	6212	7286	7798	8288	4440	0	11574	14788	0	8126	0	6210	11522	6928	10248	9608	8454	3666	14354	0	8470	7906	0	7342	8854	Peptide	0.16666667	1.75	0.16666667
8	C19 H20 S1	281.13583	281.1363	0.68891525	281.13605	2910	0	2227	1358	0	0	4213	0	0	0	0	2175	845	2400	805	3910	0	951	895	0	0	1015	0	0	1962	0	3889	0	0	1846	1697	1890	1547	0	0	1200	0	2635	2491	0	1468	0	0	0	0	0	0	0	2991	0	1562	1082	1614	0	0	0	1190	0	0	2270	0	0	0	0	2373	0	2967	0	0	0	0	0	1657	0	64611	1912	0	1029	1517	0	1004	0	5761	10281	0	0	1904	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1140	1175	0	0	2112	0	0	1290	0	Organosulfur	0.0	1.0526316	0.0
16	C15 H20 O5	281.13834	281.13873	0.09933937	281.13837	2357368	2542355	2387652	2469231	2887797	2214941	2245646	2107037	2422197	2855382	1880059	1530387	3270691	1954909	1938253	2737977	2524758	3908567	4045118	3996693	3607676	2320906	2030105	2211635	1813367	2149234	2057785	1747016	2317345	1965945	2048516	2371533	3024172	2076791	3038191	2240503	3086070	1648228	2674607	2225808	2115345	2094080	140715	53957	58341	1637956	1662710	65893	2760291	1904036	2537406	2495451	2511555	58275	3053889	2454564	1662262	3106336	1520068	1674774	2513820	1398428	2906207	2437887	1355052	3174308	2470530	2377598	1764682	2554236	2328779	1858883	2018531	1855824	2241286	2096384	58950	1346716	2255428	1710020	1495571	1343636	2173639	2151016	2540727	1719577	2631510	2145628	2376642	2958609	2581315	2762926	2913337	1665255	2462003	88015	2427104	2672388	1882361	2674084	3235034	3108423	1303433	2159532	927072	2242139	2314745	52587	1839737	3164382	Lipid	0.33333334	1.3333334	0.0
18	C15 H20 O5	281.13834	281.1387	0.09275776	281.13837	1893999	1827743	1776173	1675471	2071902	1705371	1604359	1596518	1652761	2219051	1350330	1047047	2902899	1481516	1532075	1925163	1585356	2976685	3057333	2830269	2360225	1705106	1460395	1553485	1302047	1103342	1434915	1434264	1951832	1540373	1500879	1848612	2406768	1830247	2124416	1816934	2524197	1287977	1641107	1617983	1234884	1627886	107984	40571	55058	1193193	920728	54642	1939488	1272094	1804298	1812526	1860874	45751	2876399	1904168	1312954	2257255	1254873	1009071	1901787	1043529	2283963	1920375	1088407	2323548	1815573	1640413	935847	1398736	1298540	1407144	1318302	1482218	1525372	1703633	48240	1065511	1641513	1161310	1202575	887638	1355071	1175787	1802697	1507960	1760910	1631733	1773253	1594634	2235707	2356597	1972383	1057701	1710964	68385	1846532	1816941	1537140	2063958	2250196	2368448	1069039	1837101	670702	1401923	1531734	47555	1282949	2321391	Lipid	0.33333334	1.3333334	0.0
22	C15 H20 O5	281.13834	281.13867	0.09658039	281.13837	328745	341470	275598	326585	389821	376295	289895	356453	371790	265847	147874	252387	390963	324492	394477	334427	277494	564032	420321	283195	246412	273571	324504	304363	318848	130612	255954	163175	415108	303179	330657	372766	470484	347059	280878	368541	493804	348745	279690	207708	156598	258629	60673	50212	50966	172272	140739	54810	383344	270066	306724	311043	343595	37526	510194	358910	267452	402634	241637	143144	376599	132365	429404	372244	204734	431336	321764	253871	115558	235827	161604	274386	278059	293035	204420	330463	42774	272049	357133	131315	282850	136976	260148	162145	360193	250796	335935	265680	320831	292293	362392	361200	385655	131851	202844	63232	276482	310439	287218	385606	374771	464227	311368	283776	151850	304074	282054	48880	273307	523722	Lipid	0.33333334	1.3333334	0.0
14	C15 H20 O5	281.13834	281.13873	0.07759025	281.13837	2171281	4142710	3967526	4381798	2128090	1637769	2200768	3693340	1889410	1948191	1385047	2592332	2577579	2314299	3099358	2375694	4747444	2862728	2610556	2794088	2814889	2117685	3294684	1826940	1534116	2573319	4616506	1431003	3911322	3434160	3170112	2108839	4885338	3466742	2181453	3811068	4523612	1416490	4799346	3653638	1886610	3418130	149449	57077	49730	1446626	1444695	66418	4196876	2900118	4116070	1902260	3770426	50810	2532372	1940616	2742360	5346510	1321859	1454576	2147947	1105597	2551494	2010630	1389976	2398865	3854976	4604796	1796560	2735593	2734384	2929628	3089976	3128246	3800842	3582316	41772	2604432	2099426	1310261	3070498	1210087	4608684	2340540	2147956	1365945	4711856	3377156	3696170	3024087	2310170	2028552	5202172	1251286	1831103	93839	4322262	2127742	1605050	2884640	3064625	2284674	2574706	2047331	825193	3836612	1798231	58483	3229970	2106558	Lipid	0.33333334	1.3333334	0.0
8	C15 H20 O5	281.13834	281.1388	0.04211461	281.13837	655804	687194	472650	340244	543194	349378	571272	713854	556740	413162	317584	499314	644642	176292	292181	867224	816742	553782	756940	600760	548890	382529	646238	814416	496658	281751	281411	329266	337453	328838	285756	644692	638346	236450	289364	323583	307119	530942	461671	240032	511622	503774	38310	27935	38563	625114	595788	36220	700514	642906	619608	319582	512406	28513	798722	319943	469902	769236	519194	549670	396056	295762	300804	607744	165306	536376	432032	801212	262555	553300	313777	488004	529138	547554	573384	352862	27244	464402	928136	348994	678706	531738	673934	435966	706936	201471	827838	358956	507804	1044386	242681	329377	976498	404388	263142	41035	645922	722488	499166	1041962	550798	383192	519548	343583	166047	300621	308728	25428	629696	548168	Lipid	0.33333334	1.3333334	0.0
0	C12 H21 O4 N2 Na1	281.1472	281.14758	0.9571888	281.14746	2261	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1559	0	2583	2458	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	71220	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.75	0.16666667
2	C14 H20 O4 N2	281.1496	281.15012	0.08360015	281.1496	663956	671155	592068	611217	222514	346521	502157	877130	219910	437379	276021	508649	192862	122806	589811	860484	966442	392784	448142	393257	483271	721249	512285	869097	512652	74842	478200	687438	837737	699882	749954	860495	1006620	670009	551845	843072	916998	478856	993835	444926	400389	411783	1711	697	502	392187	799230	723	906464	686479	594320	658846	351862	1188	305470	93893	196961	881932	280110	348012	759422	195825	188497	237851	188329	295485	458124	1140004	111182	216622	221542	651228	757530	771268	862566	726774	537	495072	468260	987499	425618	181146	282905	166047	155622	250375	475976	401667	487438	976142	1463007	1234514	1145319	408570	412633	2366	640234	645290	176752	118290	141797	918067	474564	762765	219571	790173	188942	695	483815	281534	Peptide	0.2857143	1.4285715	0.14285715
4	C17 H21 O2 Na1	281.1512	281.1517	-0.15390813	281.15115	424158	470271	431703	448714	239604	236736	411826	431818	243415	290789	170457	270923	255452	116390	322676	613540	645059	286341	394679	321045	312011	598129	298434	534601	333404	88090	416590	291541	450491	371902	391757	477644	617302	361022	446354	486587	584589	348671	765831	251465	271742	262185	2206	780	563	287689	265709	873	538797	369091	443865	354162	277406	1410	309659	132820	191999	572757	134230	189278	541910	158232	213133	215568	130117	302513	233704	713207	105230	212232	223690	299210	353911	429772	550664	384669	437	304757	413753	510597	337311	151443	198381	140370	171311	187183	468146	279420	299294	1115838	1283871	868654	915399	227282	299080	2596	412245	446830	163458	190368	198951	556069	315698	338660	160228	511884	192534	879	431788	294284	Phytochemical	0.11764706	1.2352941	0.0
20	C19 H20 O2	281.1536	281.15393	0.09294205	281.15363	93360	89817	82585	71575	68708	51902	78239	100472	53217	63303	53289	78735	60009	49637	79893	125206	139664	62030	82354	84103	82841	86277	70426	112255	75327	134315	86148	57237	99855	106298	83261	103379	108135	96619	61741	104991	111058	79432	134993	68626	81613	70128	3004	1110	1046	56682	73020	1533	115262	102127	85937	91208	66677	1361	52764	62946	53289	120949	59933	67414	107468	38706	57517	49564	41915	58637	65343	145092	94611	105464	147557	88644	86713	96102	130179	109002	691	68814	97239	72431	84254	40103	70932	59129	74308	56015	107773	77309	70214	147462	95865	81452	132272	54957	69104	1883	87105	93387	76167	82327	88823	116719	71858	92664	46437	103831	60223	1372	87076	60554	Phytochemical	0.10526316	1.0526316	0.0
0	C19 H20 O2	281.1536	281.15424	0.21244267	281.15366	0	0	0	0	0	9708	0	0	0	0	2068	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39646	0	0	0	0	638	0	0	0	0	0	812	0	0	1462	0	569	532	0	0	547	0	0	1629	0	0	343	562	0	0	0	0	0	0	0	0	0	0	0	0	0	520	0	0	0	0	0	0	0	614	0	0	196243	0	550	0	0	0	0	0	0	0	0	27503	7269	0	6479	0	701	0	0	0	0	0	0	0	0	0	0	0	389	0	0	Phytochemical	0.10526316	1.0526316	0.0
26	C19 H20 O2	281.1536	281.15396	0.15984483	281.15366	36031	37256	33078	33895	42044	24388	15236	41264	28419	24648	37930	27332	30911	32424	24901	40215	28879	25219	43952	35613	37573	38493	24115	44503	34592	51679	19219	38979	47726	47028	39488	47197	52625	38872	35681	64296	47891	24260	37232	36145	37913	26017	7835	8347	0	21130	19089	7799	44362	44525	31999	33055	34418	0	21315	23009	25429	48354	29499	20477	44828	27606	25920	25490	16795	36591	33812	41051	39792	35088	42275	38143	40641	47616	30710	48034	0	32941	29660	34785	25258	25675	25917	31113	31883	18179	36133	31484	30832	33691	31726	25678	48009	32737	28891	7550	36218	30336	34978	39520	36948	56893	29531	42043	20037	34475	23903	6469	33177	23743	Phytochemical	0.10526316	1.0526316	0.0
12	C19 H20 O2	281.1536	281.15396	-0.055419203	281.1536	14680	15245	8965	15427	4595	2978	13483	16233	6923	6724	6947	8456	2388	4732	10270	17610	17657	4857	4181	6157	8716	13881	8489	15272	9718	6327	25855	0	10821	13085	10502	12334	12762	8655	5429	10611	9184	13394	27537	6032	9200	4697	451	468	448	6097	7864	752	15897	12472	16064	15232	6286	412	4130	5229	8197	16713	5736	9681	0	3753	6576	4536	5811	3600	3858	28588	0	5857	9498	5445	9677	13748	21713	15490	476	10047	18008	0	15898	8184	9642	5461	6677	6017	15998	4439	4976	28681	10928	14788	17236	5446	10926	944	15110	10936	6457	10117	7975	10925	9975	10728	0	9883	6521	430	15332	4032	Phytochemical	0.10526316	1.0526316	0.0
22	C19 H20 O2	281.1536	281.15393	0.09006151	281.15363	99208	103286	86071	99192	92111	80393	71396	136931	69290	80904	88003	86201	63266	73772	99772	165518	138720	94800	88780	99361	97165	92575	101204	144705	97780	165054	81654	78216	147423	144008	120253	144058	141486	137426	89572	149483	145265	80260	133219	101506	108934	97297	6546	0	3078	73968	80460	0	141945	132592	97474	91893	86303	5612	66263	73107	67088	144594	62635	79804	144109	56921	56134	60166	52313	87952	99199	140305	133094	140588	191355	112249	113115	115164	112310	133455	1486	92435	104039	77672	87218	60484	71691	72890	80320	72092	113731	108534	100025	146321	98825	90691	157830	81786	82300	12099	85382	104236	88580	93509	96029	154388	87761	113807	56991	134074	68989	0	86975	70544	Phytochemical	0.10526316	1.0526316	0.0
26	C16 H24 O2 S1	281.15698	281.15717	0.11044769	281.157	0	0	0	0	0	0	0	0	0	5598	3938	0	0	0	0	0	0	0	0	0	0	7180	0	0	0	0	0	7692	0	0	0	0	0	0	4744	0	0	0	0	3748	3009	0	0	0	0	0	5954	0	0	0	2122	0	0	0	0	0	0	0	4986	4044	0	0	0	0	0	1585	0	0	0	0	0	0	0	0	0	0	0	0	0	11918	0	7321	3180	2729	0	0	0	0	0	1891	23383	22434	0	10297	12841	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.125	1.5	0.0
8	C12 H24 O7	281.1595	281.15985	-0.13222884	281.15945	3230	3627	0	3763	1639	2097	2990	1277	2349	3096	7939	2298	1166	3785	1312	0	2174	1784	2027	1910	1194	2626	1557	1544	1850	3878	8619	29344	1978	1373	0	1195	1607	2083	1513	0	1381	3044	2395	2107	8702	2132	5960	6268	4763	3118	55943	5165	1242	1278	3957	3720	2718	4934	2148	2220	4316	1242	6651	14302	0	25441	1168	2127	4399	1529	0	3968	25695	3811	89077	1587	1932	1492	0	1552	4922	2557	1530	50383	3020	4496	2654	2011	3070	0	1918	2782	2006	1394	0	0	0	10658	3749	4546	2764	4146	2909	4064	3117	1695	2074	0	49971	1633	0	5373	3031	2142	Lipid	0.5833333	2.0	0.0
6	C12 H24 O7	281.1595	281.16025	-0.053632796	281.15945	0	0	0	0	0	0	0	0	0	5983	6531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1284	0	0	0	0	2714	1772	0	0	0	0	0	3435	0	0	0	1834	0	0	268	0	0	0	0	15425	0	0	9363	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3841	2313	0	1210	1767	0	0	0	0	0	0	343856	0	0	0	0	0	Lipid	0.5833333	2.0	0.0
12	C12 H24 O7	281.1595	281.15982	-0.05981375	281.15945	36271	29290	40614	41000	5500	6248	3187	3365	5687	0	48358	5409	5679	5985	4735	1716	5388	2986	2991	2293	6436	0	5250	0	5366	5300	2103	8888	2629	2228	4290	2582	3349	4013	4352	2745	2234	4990	4839	30285	9795	5871	12420	13564	10969	24238	10191	13063	2592	4275	32451	39689	8061	14538	4447	6660	10415	2506	262480	8081	0	157413	14772	3966	15690	10089	12487	0	0	4050	4959	3099	3914	3132	2527	4663	10168	4583	3449	0	8093	9299	5408	4891	8355	10461	4742	5777	5955	0	2917	5596	0	17318	5726	10374	31639	36370	8022	7736	5632	0	6558	0	4536644	4510	6003	13320	5523	3505	Lipid	0.5833333	2.0	0.0
10	C12 H24 O7	281.1595	281.15985	-0.055099405	281.15945	36871	34481	30004	36532	13441	8322	9022	7632	7184	35834	58313	8467	19795	14744	7064	4991	11550	11525	3576	33194	18847	21403	5686	14107	7114	11285	34698	144667	8241	6840	4910	6041	7321	5003	18162	6390	10579	7022	8515	46072	38403	8837	27844	16168	17287	79415	86712	14412	5524	8120	30990	37023	9475	30187	7330	8181	14056	16902	132492	37079	111756	119728	68891	7023	22792	29076	20901	11398	65596	57730	125657	6163	5157	6288	2625	6394	23461	6294	4552	174294	7810	14693	5917	4246	11239	19610	4409	16830	6832	7565	49913	18750	15609	44676	36790	13162	29444	34083	13386	7200	11923	12373	6337	41721	2272524	8097	11319	16141	5407	19898	Lipid	0.5833333	2.0	0.0
0	C13 H25 O1 N2 S1 Na1	281.1658	281.16623	-0.288824	281.1657	0	0	1705	0	0	8238	0	0	0	0	2145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48173	1035	0	0	0	1679	0	0	0	2059	0	0	0	0	5086	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	102887	0	0	0	0	0	0	0	0	0	0	90269	20747	0	2105	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.07692308	1.9230769	0.15384616
24	C16 H24 O4	281.17474	281.17505	0.0731392	281.17474	243919	261924	246320	260078	326569	262040	410792	230340	238338	220889	152533	136098	409955	372354	242558	271095	241323	403455	402576	269494	241002	226914	179292	194078	249648	118625	355370	224612	288113	252307	198096	298255	312852	246167	240188	302245	369731	191655	281312	148619	112485	200302	59284	27388	38300	161561	129468	32638	303428	199475	239559	245720	271563	43765	356677	238491	178945	344952	211619	122489	302186	112988	325143	240526	187230	411208	398590	251857	73575	117222	117037	190558	210413	246707	204999	243577	39318	188589	207996	193542	148968	172003	307738	220258	217080	196274	271959	176558	249717	297833	557159	499851	368236	148304	226559	38107	247556	279124	222533	229369	282341	324132	143670	266739	216842	253800	218240	32684	221026	297472	Lipid	0.25	1.5	0.0
10	C15 H24 O3 N2	281.18597	281.18637	0.03930982	281.18597	12152	12300	13008	10379	3356	4064	7426	12336	2553	9173	4107	5852	2332	2490	6148	15284	13066	3832	6726	12181	7928	17132	6297	17863	10191	5157	8240	5178	10052	13436	10873	12432	19039	10471	9519	9501	15263	7953	16746	9564	6840	4091	0	0	0	7999	7394	0	17139	9395	11972	12112	4161	0	3231	1320	2055	18289	0	4022	11961	3489	2088	3420	1754	4373	3852	19103	0	11181	8838	12098	14310	10764	13316	11309	0	7693	12105	6264	9572	1880	2406	3940	1987	2205	10750	5890	5756	29444	13159	5006	28325	7535	17604	0	10800	8523	2366	1302	1155	15706	6103	10005	0	14384	2467	0	12180	3414	Peptide	0.2	1.6	0.13333334
8	C15 H24 O3 N2	281.18597	281.1864	0.06061102	281.18597	15427	17732	13122	18368	7403	5535	10698	15029	4664	19284	8612	10300	3808	3966	12267	18697	13454	6799	11961	19973	20487	23886	9871	19773	37309	10577	11686	7321	13466	10489	12208	18970	21917	16209	25040	15287	19512	9032	18685	19456	11541	6161	0	0	0	12630	13626	0	17764	11824	10990	16328	8347	0	6692	2752	3253	22733	0	3984	14806	7410	6619	5141	2911	7427	7558	20930	9359	19960	18730	14578	14857	10525	15171	15639	0	11445	11856	10692	10434	3324	2957	11284	3966	0	13461	9233	10065	37718	24352	9600	96165	11530	17179	0	16150	14636	3753	2161	0	16966	9906	19335	0	22832	3922	0	13543	7555	Peptide	0.2	1.6	0.13333334
12	C15 H24 O3 N2	281.18597	281.18637	0.006704172	281.18597	6262	6604	7341	5079	3921	2007	6917	9651	1220	3746	2677	4650	1972	3681	4230	11505	6959	3934	3782	6311	3696	7597	4704	10341	7359	1832	3224	0	6650	7067	6049	8851	8324	7969	4774	7057	7773	3364	14013	6353	6424	3912	0	0	0	3544	4139	0	12305	7431	5559	5423	4257	0	1171	1043	1780	8877	0	0	0	1854	0	0	0	1442	3114	11789	0	3966	5122	7814	7716	5725	10461	5728	0	4877	6989	0	5698	2484	3534	4437	2372	1376	6742	3820	4821	32673	11560	8018	29979	2922	5647	0	4273	3825	1317	0	1508	6973	4087	0	0	9633	1634	0	9234	0	Peptide	0.2	1.6	0.13333334
22	C20 H24 O1	281.19	281.1903	0.0641407	281.19	30823	35230	26056	29542	15751	14124	36378	47295	18207	10615	18758	29944	8220	16600	52167	63404	95717	11760	21621	14919	19188	24935	29720	35925	48365	25298	39794	21757	31366	39378	24279	42577	29891	34316	17697	47604	31709	48966	88153	12859	26242	83794	0	0	0	13124	22668	0	34760	46664	26008	35248	20529	261	18332	23323	23096	54677	14297	28250	41174	7642	14901	11399	17085	16337	24335	85739	21252	21816	39446	21685	22775	32284	73477	36359	0	25771	46361	24907	40603	14654	26486	18125	29568	25064	61369	22592	21096	120794	32879	27359	50795	14066	18949	0	28163	33284	23392	29607	29814	47080	33805	27591	13026	33728	26349	0	56280	11248	Phytochemical	0.05	1.2	0.0
26	C20 H24 O1	281.19	281.19037	0.1488	281.19003	39667	37815	35551	34625	24069	14211	24331	62540	19880	13999	28833	30729	18688	21956	105567	61161	58398	17803	27420	24106	24329	39860	24190	52908	85571	66343	23185	37129	45198	49595	50682	62069	56159	37533	22422	69319	51720	109095	60559	25523	27680	171663	0	0	0	22449	16914	0	44040	55890	37291	40116	21794	0	21022	26239	27577	63516	16161	19935	45378	15874	13003	15357	11635	19794	26527	68228	49375	27472	41978	25216	31227	52118	70874	53805	0	31462	59280	62174	36880	24429	27792	22620	25015	20539	86307	19227	24807	92632	38779	31651	72336	56941	37049	0	33964	47649	27657	31693	38122	96097	31671	37586	13062	40184	19368	0	57905	11394	Phytochemical	0.05	1.2	0.0
20	C20 H24 O1	281.19	281.1903	0.027834008	281.19	18593	18559	13847	16614	9314	4594	26365	22121	9421	4286	12376	20051	4243	7474	22007	30578	67550	4684	12399	6328	12267	14731	12053	16576	24380	14722	32753	10334	13469	17003	11224	18857	17546	14730	6356	19241	17809	21892	73010	5148	20000	11327	0	0	0	4874	13747	0	18339	20388	20439	18812	6310	0	7778	13155	9578	28623	9685	20785	18595	5091	3732	4820	11377	8573	8340	72950	9354	5166	18008	9243	10155	20370	67076	19024	0	16356	25525	15548	29779	10983	17753	7668	12401	9890	37378	9414	10998	77331	16584	12235	29633	9761	9060	0	18255	17514	12061	16466	14445	21919	16925	12505	5395	20382	14004	0	33167	8790	Phytochemical	0.05	1.2	0.0
24	C20 H24 O1	281.19	281.1903	0.08888837	281.19	45967	48652	48142	42606	31150	21875	44101	88364	24109	24566	31161	47854	18110	31479	177836	112523	111831	19931	37648	31994	30578	40340	42981	63563	79417	54575	43189	35754	45284	73823	52845	77739	51855	76018	23983	93820	57355	146377	111432	29306	36195	173127	0	0	0	27055	32462	0	59081	89069	54016	51555	27131	0	28103	34053	46484	89849	22964	33354	79574	16993	19823	22115	24160	28225	33982	107786	45141	39282	50732	45943	48065	67788	117983	65600	0	42440	80472	50049	69828	25818	26417	26716	31544	30125	112121	29327	32429	158605	53837	39586	99261	31870	39536	0	50105	54982	35641	36108	40903	84186	44768	45405	19769	63941	32449	0	87458	16252	Phytochemical	0.05	1.2	0.0
14	C20 H24 O1	281.19	281.1901	-0.027953677	281.18997	2207	2455	4849	3161	0	0	0	0	0	0	0	0	0	0	0	0	4415	0	0	0	0	0	0	0	1286	0	2230	0	0	0	0	9803	0	47159	0	0	136991	0	3683	0	0	0	0	0	0	0	0	0	2227	2562	3467	3087	0	0	0	0	1420	0	0	0	0	0	0	0	0	0	0	2149	0	0	1736	9284	31150	0	1449	1180	0	0	0	0	1113	1187	1458	0	0	0	1538	0	0	5783	0	0	0	0	0	0	0	1795	0	1486	0	0	0	0	0	0	0	0	1959	0	Phytochemical	0.05	1.2	0.0
12	C20 H24 O1	281.19	281.19022	-0.001127662	281.19	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2374	0	0	0	0	0	0	0	18553	0	0	1924	0	0	0	0	3446	0	174139	0	0	68543	0	0	0	0	0	0	0	0	0	0	0	1897	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42718	24773	0	1669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.05	1.2	0.0
18	C20 H24 O1	281.19	281.1903	-0.012098728	281.19	8238	8110	8232	4314	3300	0	12774	8975	4241	0	4135	9526	0	3243	9637	10046	44959	0	3891	2457	3082	2813	7176	5664	14259	4610	11391	3278	0	7822	4971	7935	8536	5010	0	8898	6677	12087	36002	1986	7852	2670	0	0	0	1378	4381	0	9418	6285	7017	7649	3025	0	3822	6206	4257	8816	3954	12965	5882	0	3136	1859	4747	2213	1774	44328	3154	5383	7652	2947	2060	5229	61598	8088	0	7030	14247	5728	15827	4697	7331	3007	4801	6798	16053	3205	3423	41360	6895	5015	13496	3447	1938	0	5464	8129	3222	9455	9061	8085	9092	4497	2435	6501	2991	0	18225	0	Phytochemical	0.05	1.2	0.0
14	C13 H28 O6	281.19586	281.19623	0.20252593	281.19592	1766	0	2426	0	0	0	0	3861	0	3292	0	0	0	0	0	3375	0	0	0	5449	0	0	0	2966	0	0	1032	0	0	0	4332	16385	0	2778	0	1739	0	0	0	4768	0	0	0	683	782	3980	0	763	7760	1875	1882	5293	0	1135	0	0	937	4022	0	0	0	0	0	7667	0	1624	0	0	0	6999	0	3998	7402	3759	0	2904	568	0	0	0	0	0	0	0	0	0	0	0	0	0	3510	0	0	0	0	1220	3293	0	0	0	0	0	0	143158	0	0	0	1068	0	0	Lipid	0.46153846	2.1538463	0.0
12	C13 H28 O6	281.19586	281.19626	3.04269E-4	281.19586	40018	29533	33614	36829	17057	4883	0	57586	7753	33300	46518	0	25352	36442	1234	36120	19249	17162	2387	61776	35817	22449	0	12894	1909	2211	3049	15670	17555	10905	8680	34112	38337	29842	49842	16829	31623	0	27571	103727	45864	19516	25974	553	1253	64112	48143	1554	58850	20844	31686	33870	24780	47201	9493	14663	43034	45458	40559	17309	30124	43447	82284	0	29803	60805	81664	28840	0	70428	38617	57282	11176	10382	32242	8559	589	0	2429	60053	1533	5206	3251	2110	3798	7351	0	46753	3949	38102	51641	20803	30701	29134	36803	2296	30600	35081	10835	0	7142	50182	2008	88827	881224	28457	6636	1918	2163	21502	Lipid	0.46153846	2.1538463	0.0
18	C17 H28 O3	281.21112	281.21146	0.11182472	281.21115	4679	5499	5201	4150	0	0	43651	2897	0	0	0	2324	1877	13954	1694	6446	8664	1708	0	0	0	0	1938	2497	2335	9098	41099	6646	4548	7222	1413	5806	3182	0	0	8181	1611	1836	8241	0	1675	6852	1380	326	279	2157	3025	391	5139	4955	5419	3426	2923	963	0	1776	6221	6163	0	1277	5348	1498	4464	0	11952	1879	4584	8663	0	1705	0	2373	2196	5414	10728	5222	319	0	3353	19268	0	3203	41158	58953	1798	8384	8190	2760	5438	14371	11769	2989	2834	2460	0	638	3888	5112	0	2885	10455	3074	0	0	0	3557	6192	0	3765	0	Lipid	0.1764706	1.6470588	0.0
20	C17 H28 O3	281.21112	281.21146	0.08160547	281.21115	24723	31730	26694	28047	12123	14948	322103	13828	4230	5146	13248	10020	6349	94151	16753	24523	42196	6395	5876	14212	3901	6761	4940	9439	13107	72985	364004	42561	20768	17348	8388	20416	15868	17244	7771	20209	16836	14968	42718	3007	21196	18895	9070	1158	935	6644	19906	2093	17649	17451	24921	23525	9753	3152	4278	17904	18572	26555	4673	26864	28668	5533	28288	4176	59885	24952	38210	39864	9375	12496	23270	11855	16344	21856	41201	19617	1568	6424	11141	98773	5811	17936	222250	380359	12104	15055	25391	13230	16382	49813	61384	39220	15136	14434	13750	2442	21807	30208	19239	11112	27307	18879	6041	16711	8310	16380	16617	1631	16289	11277	Lipid	0.1764706	1.6470588	0.0
26	C17 H28 O3	281.21112	281.2115	0.1562518	281.21115	147135	141112	146107	130029	133732	61986	715426	104984	92414	110981	254606	47376	67679	233596	146785	93868	162675	56251	74228	117722	97796	70708	44246	56858	95331	102448	452436	825724	118119	102991	68248	96232	95437	81211	128388	111554	88850	121012	160964	60746	98243	96869	54184	20023	35251	87822	104582	18546	115289	80224	150756	145315	101358	40123	61522	71790	99844	125182	107961	93767	124648	76026	86138	48005	175549	116208	195573	185594	53489	54349	69552	49581	70396	112443	76332	107744	36105	55051	59978	994391	39075	440979	205375	199261	60944	98455	136592	62463	88581	95144	1068227	1333656	74267	217280	112860	23248	130065	162207	204990	46687	79199	126176	56057	123021	371742	70335	122965	21248	95172	51071	Lipid	0.1764706	1.6470588	0.0
24	C17 H28 O3	281.21112	281.21143	0.06891429	281.21115	212531	219444	214306	206886	149508	152831	1473973	140780	79880	133041	230537	61349	84309	708347	111286	147204	206943	82301	130080	135282	102846	101980	59280	78388	102175	225073	1261582	594441	154605	119497	89084	142317	134268	126000	123428	139747	111868	116478	205604	99120	170485	183057	100809	11159	23219	137387	234499	14307	183637	144702	219686	207677	113273	58261	59661	94547	138226	163109	85937	185523	245975	81217	244822	53264	411291	218915	333306	209237	77525	109276	146211	96695	99403	122869	151367	135252	34965	54077	76246	1359909	48861	241360	441091	552316	77596	111193	153073	110994	162956	181466	1600725	1275616	116787	276023	193078	24369	211407	237424	197278	52007	100022	145418	57891	216761	230519	102941	97147	12012	111561	137610	Lipid	0.1764706	1.6470588	0.0
22	C17 H28 O3	281.21112	281.21143	0.060979005	281.21115	85599	86544	78968	79028	42806	48460	854547	58662	15503	37458	60573	28995	25039	330928	51738	66880	121258	24248	37416	37648	33671	40196	24187	26810	47491	134404	918208	112708	62834	59725	36609	64176	58009	60063	24184	67856	58887	53879	122658	26211	72403	64407	34087	4014	5136	45327	66210	5816	64921	94384	80704	81906	35984	12516	20251	48831	68543	71581	24783	93856	104117	21001	130446	14502	253285	84643	134367	113245	37833	42456	72209	50716	48818	74098	96860	64781	5115	23969	40119	249216	19254	78489	349359	518108	29475	76312	77742	52160	59903	139151	219841	165768	55890	48156	49705	11473	68564	92347	61461	33879	59733	66331	26102	73099	49320	45462	45975	4107	43106	52294	Lipid	0.1764706	1.6470588	0.0
26	C21 H28	281.22638	281.22638	0.06247822	281.2264	2858	0	2434	2061	2500	0	2478	0	0	0	0	0	0	0	0	0	9195	0	0	0	0	0	0	0	0	0	5184	2435	0	0	0	13732	3508	2146	0	0	2196	3516	8970	0	0	0	0	0	0	0	0	0	3155	0	2069	2727	0	0	0	0	0	2683	0	0	0	0	0	0	3390	0	2966	14131	0	0	3485	0	2563	0	0	3095	0	0	4959	0	0	0	0	0	0	0	11945	0	0	20422	2880	2792	0	0	0	0	0	0	2444	2426	0	0	0	0	0	0	0	0	6000	0	Lipid	0.0	1.3333334	0.0
28	C18 H32 O2	281.2475	281.24786	0.11565929	281.24753	128981	109358	123650	116149	92996	102486	126817	110364	82550	90546	128980	90282	81627	116855	101973	89883	109650	90032	83166	95604	85995	83926	100949	80133	107178	116807	135488	188770	96948	107100	103913	102703	85962	105430	81308	91323	82016	111554	95851	90636	104644	116120	139682	139641	159000	101334	102548	137606	100652	114599	125419	117862	102446	168112	80656	215649	425140	85486	124781	129175	88871	120931	80456	91872	413427	84497	126625	92072	118358	83187	85032	102595	97364	113039	109117	101228	174239	107991	87184	174626	96176	125572	111541	124481	451414	480851	92009	100651	104899	74165	150844	210915	79252	106658	91868	146323	116519	127533	170675	334705	1574611	84974	109798	110509	124556	99381	799393	143475	106939	82723	Lipid	0.11111111	1.7777778	0.0
26	C18 H32 O2	281.2475	281.24786	0.087917045	281.24753	86482	83321	85657	73899	26831	42516	569246	38509	26013	26668	149028	28154	25746	210382	33295	30565	38346	20708	22112	34488	23894	35718	25505	27443	26715	101608	534243	350986	28943	39869	22459	25885	24289	20680	18727	25451	20412	44997	56327	30326	83163	56668	69464	34612	51941	40675	83471	38676	30904	36367	80774	76577	29987	48576	20274	108853	285375	33227	33697	90829	50846	42172	60742	27130	516790	31187	82173	53124	75196	38115	49025	25670	26547	32118	26011	35063	61307	29421	25896	296303	26930	69805	89302	131094	360355	375841	48463	75685	37892	46587	195776	207435	26733	68375	39590	34687	89197	88230	102155	361295	1834264	27818	29403	54191	50279	20482	608684	34924	45612	31329	Lipid	0.11111111	1.7777778	0.0
22	C18 H32 O2	281.2475	281.24774	0.13500176	281.24756	0	1563	0	0	0	0	72852	0	0	0	1877	0	0	17095	0	0	1793	0	0	0	0	0	0	0	0	8551	62390	3157	0	0	0	0	0	0	0	0	0	0	1817	0	3976	0	0	0	749	0	1627	0	0	0	4619	2836	0	977	0	1715	3374	0	0	0	0	0	2931	0	21250	0	1519	0	0	0	0	0	0	0	0	0	621	0	0	5824	0	1808	17017	31623	0	0	0	0	0	0	3232	4624	0	0	0	0	0	1855	1600	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.11111111	1.7777778	0.0
24	C18 H32 O2	281.2475	281.24783	0.09980082	281.24753	29145	30600	24518	28413	8764	25690	688923	9230	2220	20320	40480	6529	10313	308527	7831	14586	22775	6696	10301	9870	8282	9365	4973	5796	5537	74483	608774	91405	6188	12998	5908	8138	11474	9412	6440	11322	6945	10373	29199	10327	41040	21059	21485	4936	9281	15650	33674	4020	16001	32262	30637	28111	6734	15961	2681	31345	31922	8775	7377	73657	33529	10869	70836	2282	229409	10369	28494	31283	18609	19913	30060	5356	5056	8250	9852	25306	10106	7062	5218	85963	6257	31004	107119	175578	2747	5828	10340	14953	14948	34358	52127	44901	20108	10378	28613	6933	28418	31317	34253	2409	2799	8747	4958	31313	15835	6629	3616	4449	9278	33761	Lipid	0.11111111	1.7777778	0.0
14	C12 H11 O5 N1 S1	282.04306	282.0435	0.1689739	282.04312	6236	3546	6409	5510	13891	4862	2366	2002	6627	7223	5986	2546	8919	3226	2010	6405	5682	10039	11822	2650	4907	16959	3463	5834	4847	1350	2624	0	1854	0	2888	0	4686	2527	9948	2694	5206	4308	8646	9344	16528	2886	0	0	0	5181	6685	0	5003	2227	6819	5234	7986	0	5350	4745	3243	10156	0	7810	0	5574	5649	6976	2433	11266	4825	8831	0	4505	5516	3170	1953	1513	3538	2191	0	971	7154	0	3067	4643	7738	8156	5204	3340	6645	7806	4082	19293	12113	16888	12528	15220	21041	0	6102	6435	3997	5302	5194	6344	2577	3874	0	8868	3437	0	3912	12266	Organosulfur	0.41666666	0.9166667	0.083333336
2	C12 H8 O4 N3 Na1	282.04852	282.04974	1.1227839	282.04883	0	0	0	0	0	29289	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2646	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	365	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	750	0	0	0	0	0	0	0	1131	0	0	0	0	0	0	0	0	Unclassified	0.33333334	0.6666667	0.25
12	C12 H11 O7 N1	282.06082	282.06125	0.1550945	282.06088	32376	36330	32518	37841	59642	34974	12723	15930	61172	17266	22776	19467	85758	22800	12684	25573	28155	91373	80765	9574	19256	44919	28547	24782	10188	0	11047	0	11003	10803	16108	18461	35636	15563	29381	9150	36083	15565	32694	10126	32620	35024	676	364	421	7017	17105	448	19720	13866	34377	33894	49200	404	73794	39273	25779	32207	7849	14085	25219	11588	127316	77012	23018	77891	37940	30655	0	3700	6071	16238	13050	9842	17881	13003	325	15421	31720	0	17914	6877	4697	1711	43192	20361	26583	41751	45972	70197	12717	20002	48335	21584	15287	443	29896	34926	35986	45906	40999	40508	20720	10547	0	37027	33780	372	13520	149621	Phytochemical	0.5833333	0.9166667	0.083333336
6	C12 H11 O7 N1	282.06082	282.06134	0.20355183	282.06088	9860	11227	7558	8735	19797	9141	2226	5612	23285	3897	5426	4857	31809	6447	3531	6202	5099	24916	25500	3233	11229	9386	5614	5283	870	0	1981	0	3817	2979	4787	5238	7975	3853	6751	3639	7582	4064	7384	2854	7999	7449	0	0	0	2814	2424	0	5271	3837	9425	8262	14319	390	22862	20752	8591	6646	2297	3733	7180	3029	45960	24768	7561	25058	10371	6444	0	0	2631	3102	5261	2602	4191	3296	0	3074	4982	0	4211	1591	1289	0	17709	7739	5317	13528	12827	8938	0	2614	8287	3962	5871	0	7533	6385	11898	24970	23343	7343	4047	2324	0	9369	14179	0	2526	56286	Phytochemical	0.5833333	0.9166667	0.083333336
16	C12 H11 O7 N1	282.06082	282.06122	0.13888718	282.06085	11944	11440	15679	10408	17827	16865	4376	6890	20534	5602	3873	8932	29680	14386	8889	8455	8977	37570	29284	0	0	11875	12869	10673	2364	0	4380	2247	4267	5833	5443	4049	11058	3471	4477	2075	12571	7199	8873	1509	5413	13930	852	456	959	1175	2095	901	6166	4649	9297	13326	17537	284	25290	15607	11409	11869	1808	5283	7976	2282	40512	25470	11011	30934	14811	7967	0	0	1580	4368	6801	3347	7867	3786	671	3631	12359	7716	6710	2104	0	0	20865	9768	14038	17031	22195	0	4188	4468	0	5160	2518	787	10987	8481	12400	17592	14460	10155	7755	0	0	12247	13278	765	4405	44525	Phytochemical	0.5833333	0.9166667	0.083333336
8	C12 H11 O7 N1	282.06082	282.0613	0.21009628	282.06088	18653	24003	15717	24546	41402	18395	5659	10426	44879	15365	14417	14584	72892	10472	9904	23157	17286	51381	49885	10178	16424	28116	15056	15164	3454	0	7546	3455	8373	7070	9590	11210	18482	9478	20777	8394	18651	9634	21605	6299	22441	20546	0	0	311	9207	11152	0	11613	10026	18982	18951	28371	332	49568	32296	19739	18296	5430	12888	21797	9889	81566	61266	14243	49288	21969	20529	3685	2440	3765	8236	10838	6656	10039	8831	0	8150	15344	6614	10624	4177	3068	2495	35793	12275	16416	29245	25484	32674	0	7774	26131	14655	13246	0	20200	22570	30789	47106	33362	21426	11517	7953	0	16445	25856	0	6068	95641	Phytochemical	0.5833333	0.9166667	0.083333336
14	C12 H11 O7 N1	282.06082	282.06122	0.15250614	282.06088	20844	23062	18548	28328	52607	33248	10038	12951	42025	16206	14780	17340	66334	19264	16941	20628	15241	66443	54435	2347	6464	31479	24916	18519	7127	0	5997	0	8014	5238	12719	9583	32537	8868	14697	7386	27900	16484	20440	5605	16280	26544	0	430	690	7291	8228	663	11579	8137	20271	21109	41800	283	52599	28806	23239	23791	6812	13678	0	6568	64573	58577	19241	53502	26121	22453	0	2607	3038	8969	9362	4307	10250	7491	395	14818	21645	16053	16842	3255	4409	918	32095	18307	24371	34172	36373	47389	5336	11169	51707	20196	9907	607	23773	21978	26267	33560	28570	18186	15344	5378	0	34774	28056	594	12764	99166	Phytochemical	0.5833333	0.9166667	0.083333336
18	C12 H11 O7 N1	282.06082	282.06122	0.15685849	282.06088	1925	3646	3643	4152	8999	5880	2198	1561	9438	0	0	3049	18937	3357	2210	2317	2459	12004	8026	0	0	2403	3850	3084	0	0	2586	0	0	0	1689	0	5642	0	0	0	2338	3585	3740	0	1598	3719	617	658	1004	0	1172	1076	3442	3287	0	0	9964	574	5830	6139	3574	2383	1536	1097	2560	0	16793	7424	3652	10827	5694	4213	0	0	0	2241	2483	0	1752	0	565	2760	5941	1547	3512	0	1518	0	6876	4136	3325	8416	7493	6789	0	2126	4531	2123	1474	722	4441	2613	4898	7414	6409	3851	2963	0	0	5647	4165	441	0	22547	Phytochemical	0.5833333	0.9166667	0.083333336
10	C12 H11 O7 N1	282.06082	282.06125	0.16804342	282.06088	28704	26254	24601	23183	48776	29770	10638	17024	51318	13927	17478	18021	98669	20462	13136	25435	22081	69854	65943	9920	16422	35001	22293	22359	6515	0	12828	3487	12679	8395	11222	11216	32120	12112	24461	9655	29903	13189	22721	15870	33644	26721	853	0	491	7050	10459	798	14884	9288	27017	29477	38128	0	68609	41822	20285	23313	7083	17902	20726	9648	88609	73831	15954	69844	27632	28356	0	2695	5549	10987	9970	5581	19164	9190	0	11504	20422	11301	15877	7018	6002	2031	43707	16423	20117	39630	33177	43382	6933	10247	41681	20148	15674	0	27943	32500	33627	43692	42553	28953	14145	12765	0	28081	31432	584	8489	142777	Phytochemical	0.5833333	0.9166667	0.083333336
0	C12 H12 N5 S1 Na1	282.0784	282.07886	0.11101491	282.07843	4061	4082	3246	2747	12849	12538	0	8792	0	0	13129	3217	4395	0	0	0	0	15196	11580	0	0	6612	0	1973	0	0	0	0	7028	2164	15628	20457	4967	29226	1542	6245	9574	0	1224	0	0	2239	0	0	0	0	0	0	12806	1837	2955	3585	6466	0	0	0	0	14020	0	0	0	0	0	0	0	21080	9740	1201	0	0	0	20998	26628	10243	0	15732	0	2296	0	0	2139	0	0	0	0	0	1013	24850	18849	2251	15464	6808	3223	0	0	0	2194	2936	0	0	0	0	5168	0	0	10596	0	0	0	1858	Organosulfur	0.0	1.0	0.41666666
16	C13 H15 O4 N1 S1	282.07947	282.07986	0.21288335	282.07953	10930	6014	4289	7914	6175	6897	3456	2796	2929	12968	6917	2366	4701	2251	1797	5903	4944	6962	5006	8187	6850	25494	0	4647	3745	6674	3656	3290	2296	1703	2687	0	6307	3150	7932	2510	8235	2447	7759	19494	24726	3005	0	0	0	10054	10601	0	2812	2760	6803	7374	4491	0	3034	2908	2042	6555	4938	16359	0	10686	3351	3461	2039	5811	3066	6574	7050	9472	6974	3295	0	0	2727	0	0	1279	4529	17782	0	8251	5237	10507	1973	2113	8938	5035	3826	0	25982	25331	0	16925	28313	0	7890	4216	2645	2930	2725	5140	2825	6711	3274	0	4354	0	4466	4496	Organosulfur	0.30769232	1.1538461	0.07692308
8	C17 H15 O1 N1 S1	282.09473	282.09552	0.8596783	282.09494	0	0	0	0	0	1687	0	0	1892	0	0	1212	0	0	0	2570	3369	0	0	0	0	0	913	0	0	0	0	0	782	853	1240	0	0	1182	0	0	1093	0	3128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	949	0	0	0	0	0	0	0	0	1008	1950	3126	0	0	0	0	0	1256	196262	0	0	1334	0	0	0	0	0	0	0	0	1461	1056	830	0	0	0	0	0	0	0	0	896	0	624	0	1374	0	0	0	0	0	0	0	0	Organosulfur	0.05882353	0.88235295	0.05882353
2	C13 H15 O6 N1	282.0972	282.09775	0.14474532	282.09726	22105	23716	19818	21805	52967	28238	12316	18884	45663	16960	25360	19743	88975	20571	13773	5925	22561	62697	51447	16217	31075	34777	18057	15262	6972	5649	5544	10243	22692	12666	19492	17929	37517	20177	26907	15925	25380	12267	20404	18171	20972	30348	1679	1307	2374	12885	15269	1577	18904	9280	20399	23205	42090	1984	51445	39212	19429	22345	11994	16317	10541	10754	99188	60316	18794	75260	36650	26393	12705	10269	14660	17645	19919	13773	4866	18944	1638	12791	14079	7019	13592	10313	9986	6692	33444	19193	13443	44268	41769	24631	12875	16694	29048	15387	8059	3863	20690	24512	31272	52472	46378	17569	17449	15255	10544	25240	28960	1730	9767	115291	Phytochemical	0.46153846	1.1538461	0.07692308
18	C13 H15 O6 N1	282.0972	282.09756	0.13883777	282.09726	34679	32688	33793	35378	40832	33522	27052	29095	28262	22811	15674	27215	52547	29150	30122	50289	33637	60461	60709	5541	10197	47073	47475	42934	27706	2398	20872	12842	30885	26914	33808	29616	55427	36121	20296	28683	47695	25949	35550	16948	28473	39324	3622	3349	4807	18691	12142	3834	32979	26031	34003	33845	51859	4578	43399	23364	27687	47468	15069	18623	47615	13905	44394	43198	23091	47791	34712	38753	9333	4927	10318	32564	24993	26438	22978	26272	3220	24954	34564	26998	29372	9851	13945	7088	35519	27922	41491	48605	44511	55025	29957	33306	78662	19301	18603	4525	32195	32240	24682	22227	30104	45453	24387	20325	6202	52678	27533	3604	30231	66665	Phytochemical	0.46153846	1.1538461	0.07692308
6	C13 H15 O6 N1	282.0972	282.0977	0.108925074	282.09726	207326	249080	201044	219658	232476	128217	103307	164156	284288	272445	209427	121837	325393	84684	112451	224118	201243	367354	352488	235379	356697	312688	146755	197091	64480	95438	101585	103615	143685	134938	149247	172172	271391	154067	307565	143732	225233	113166	268312	212522	423366	183652	4082	1896	2083	164259	255846	2038	185202	131655	217468	225282	218657	3241	352188	212454	130406	213950	146388	233959	203875	201815	383445	285364	97624	276960	193481	271212	195085	180300	325268	131199	151854	119236	104146	126953	1647	99093	121957	90075	93726	113941	109368	110713	199016	133433	138659	219295	223853	301705	103255	162981	275933	217668	255635	3363	206557	198188	158746	203368	217612	226908	119205	202593	120847	202286	200911	1953	83353	535081	Phytochemical	0.46153846	1.1538461	0.07692308
16	C13 H15 O6 N1	282.0972	282.0976	0.15815902	282.09726	70095	69066	80283	73075	94330	84521	53141	71345	83733	55940	40155	50478	125281	57101	64172	94380	76453	152980	134969	36158	46938	89440	77125	84220	61143	9217	49048	39469	68524	59616	70936	70779	116335	67982	63235	63886	124338	55157	74330	49318	60919	72917	5384	3424	5479	43477	36674	4108	80986	59169	76265	68762	97086	4413	89511	53541	53887	97632	38257	41872	95214	33221	104898	90602	43572	112186	90744	71023	20306	25887	29698	65335	66197	50482	53116	55918	3418	45304	70908	80140	50957	30948	37571	21122	64491	53558	81913	92312	92982	100120	61204	83843	142575	56354	57333	4411	77828	71158	47013	52826	57784	94013	50920	41952	19030	115442	55914	4223	65975	168504	Phytochemical	0.46153846	1.1538461	0.07692308
10	C13 H15 O6 N1	282.0972	282.09763	0.12593077	282.09726	473015	425708	403456	396272	418151	311561	240663	379368	475583	472555	314763	296139	638660	172712	305385	567894	432118	727948	672390	404733	522787	687901	332670	456197	211829	137066	319537	226180	371011	330289	328357	400707	639597	372646	573367	344941	566598	279686	561301	524060	621695	356218	9999	2930	3818	285856	313966	3492	421684	295577	434549	455845	426201	4281	676002	321831	199532	522949	331755	347938	562102	345144	553698	538252	199700	563906	354535	542076	306427	307088	405382	333645	332469	289931	390144	349454	3460	242134	322651	257233	272637	210750	230475	187019	331648	241933	356494	406619	419224	618029	274418	408911	697851	428119	569490	5484	451505	443406	286149	310765	287809	531446	265775	375801	178369	487803	316011	3492	245418	854882	Phytochemical	0.46153846	1.1538461	0.07692308
12	C13 H15 O6 N1	282.0972	282.09763	0.11499378	282.09726	311402	333255	331452	341019	291628	222061	205869	273255	305775	313663	187315	156040	394142	116109	204769	353719	269196	513070	486174	271011	299557	562751	243450	352953	171056	77981	171139	159382	246923	239731	243612	302979	412471	282314	358464	257287	427421	194880	309252	299562	372660	273291	6951	3431	4196	195395	221452	3201	320580	240110	329074	351696	312963	4089	444913	182404	172098	363604	198430	194968	342107	204503	391775	337350	120372	405251	239961	302098	149616	192030	227438	226279	234951	206486	234733	252383	2481	199807	226338	215167	183821	145804	153777	118884	179757	157904	262694	274323	290284	483434	297843	393060	566750	253864	342944	7521	345361	335978	197604	194247	190240	421362	177678	262362	100534	364115	213097	3451	160722	631697	Phytochemical	0.46153846	1.1538461	0.07692308
14	C13 H15 O6 N1	282.0972	282.09763	0.13655055	282.09726	189938	183455	170016	189899	186601	159794	138807	153160	168544	171623	106736	116149	242992	88916	133148	180169	154680	270047	237856	98089	128014	272663	141244	176328	124438	31435	130500	85579	124865	122338	140906	169569	244835	167760	199696	143110	252388	116851	189240	168074	169391	157605	4741	3379	3540	98702	103481	3902	179248	123535	185265	170322	205706	4179	214533	99101	132931	233723	105666	97943	167848	103174	199659	183083	86045	255175	158333	167982	59974	81656	93545	143236	136983	119354	134488	132924	2700	127521	149318	128843	123504	66528	91186	69576	116870	100475	161245	185255	197899	300702	160612	206984	317301	146109	172203	5427	186218	172535	99995	107904	105470	212218	118742	156280	44302	227269	96245	3318	124654	289531	Phytochemical	0.46153846	1.1538461	0.07692308
8	C13 H15 O6 N1	282.0972	282.0977	0.15465827	282.09726	406306	431299	301382	407887	400285	260459	180952	268861	470880	445261	324169	241725	618087	145532	208592	399689	375386	578988	621294	453050	570678	609109	259449	338914	126808	164646	223977	247645	270693	229832	258698	316217	417990	281578	600516	245301	432027	210142	475260	546546	761261	329138	6908	2464	3016	289940	384876	2691	330184	238959	365895	385415	378768	3592	637469	321851	236093	343356	262192	338519	351728	407766	627520	561908	186014	522704	317954	437679	337732	332551	526544	257649	263495	198224	235959	271499	1882	200150	264063	261639	190466	215860	202965	246410	311743	195902	255715	373094	384458	528668	221412	373236	531965	409658	493430	4526	391740	391268	311088	342746	309037	413813	217255	352741	143060	373494	331234	1783	172930	832067	Phytochemical	0.46153846	1.1538461	0.07692308
14	C11 H15 O2 N5 S1	282.10193	282.10223	-0.008733588	282.10193	3100	4278	2913	2591	0	4600	8882	2904	0	0	0	3684	0	0	1607	4344	34290	0	3249	0	0	0	2817	0	0	0	8912	0	5559	4026	3954	16458	11375	17949	0	7764	11043	2865	32152	0	0	3117	0	0	0	0	0	0	9647	2974	3159	4573	1591	0	0	0	1550	6390	0	0	0	0	0	0	1839	2369	5187	37829	0	0	0	2239	4067	1630	21245	4797	0	2178	2223	0	5012	0	0	0	1045	3909	3447	11670	6976	7552	0	0	2711	0	0	0	1744	3413	0	0	2053	13995	2079	0	0	3813	0	0	8436	0	Peptide	0.18181819	1.3636364	0.45454547
12	C12 H15 O5 N3	282.10846	282.1088	-0.06172831	282.10843	7608	8060	5822	5018	5966	3699	5350	8635	5482	0	4191	4417	4858	2604	7512	12114	9447	11951	8932	4151	1753	8180	7005	8130	7071	0	5161	0	7803	6755	7813	8235	13244	8202	3732	5642	10234	5928	11056	2192	0	5752	0	0	0	4509	0	0	8939	6227	6152	6647	5318	0	6921	3607	4945	9825	0	0	0	0	6781	5607	3734	8731	5161	10475	0	1959	2277	5587	3455	3282	6347	5893	0	5193	7169	0	4961	2338	3760	1459	4825	4206	9517	8725	8578	20606	7500	8623	22731	3394	1591	0	4291	7103	2883	2258	0	9147	5228	3872	0	12287	4483	0	7192	13102	Peptide	0.41666666	1.25	0.25
0	C12 H15 O5 N3	282.10846	282.109	0.016263776	282.10846	4632	5675	6063	5780	6698	0	1663	6319	7246	2518	1756	3175	9612	0	2891	0	3643	10365	9613	3704	7055	8190	5861	5930	3066	984	0	1322	6986	1974	4686	4468	10362	5019	4627	4221	7482	2029	4645	4231	5188	8062	0	0	0	1782	2331	0	5872	3159	4335	6000	6803	0	7448	5533	3245	11502	2190	3085	2150	1828	17466	7636	5363	9406	10592	5500	909	1718	1950	6745	6936	3427	0	5144	0	2988	3181	0	2725	1384	1803	0	4713	2661	3007	6740	8947	5029	7539	5260	13100	2352	0	0	4446	6078	3188	5402	4093	5195	0	4446	1372	10141	4479	0	2827	21621	Peptide	0.41666666	1.25	0.25
8	C12 H15 O5 N3	282.10846	282.1089	0.050233632	282.10846	29171	27389	22757	31463	19196	35930	18867	31258	22418	16298	17545	24929	22100	8597	24213	45614	34296	31860	34372	16252	20941	40793	28862	36252	20540	1922	20159	10216	26064	23863	24455	26002	37188	23888	23019	23965	34647	26291	38130	17984	22417	22421	0	0	0	20962	25525	0	35677	22205	29490	28299	21714	0	28562	12363	16922	36338	19802	23532	37883	14928	23675	25835	18013	24435	23461	41831	4382	8506	9785	25529	22883	21374	23389	23565	0	18430	28695	19251	23536	12913	15703	8003	16553	17825	33416	29191	26935	69577	22870	35187	85177	15162	16895	0	28441	29052	15366	13799	13605	33617	23484	24796	0	45773	21966	0	25928	33396	Peptide	0.41666666	1.25	0.25
6	C12 H15 O5 N3	282.10846	282.10892	0.068664074	282.10846	31052	35252	33849	34681	25687	19130	20199	31431	30633	20849	13855	23974	28446	9953	26643	48554	45610	42033	44139	21280	26417	48999	31816	45768	20619	2258	19780	11072	30196	28491	29931	30639	40997	29845	32278	25519	39385	28639	54758	23345	39165	27185	0	0	0	25899	31915	0	37253	29183	32134	34441	23920	0	34382	16587	20882	44409	25437	35607	42990	15373	35545	27898	20587	28933	29053	64190	6071	11146	14592	28983	24519	23495	19466	23986	0	18260	26881	24446	27663	16973	19203	10630	23923	23891	32130	36757	31062	86592	25553	32853	82065	20638	24860	0	32854	29498	16352	14920	16856	41054	25926	30815	17817	46621	23987	0	26254	44939	Peptide	0.41666666	1.25	0.25
2	C12 H15 O5 N3	282.10846	282.109	0.14113402	282.1085	22230	24664	16026	19858	26639	24627	11133	21419	35422	14317	16935	18752	39227	9563	16149	4279	27656	38046	35509	13449	28357	37023	23351	16999	7651	1914	2323	7647	17735	8766	18352	14896	30746	15561	25489	13828	22243	15841	31581	19921	34348	18568	268	0	0	10846	17671	0	16425	11197	21028	21688	27201	0	36847	19006	17957	21730	13463	22993	6095	13855	61619	36060	21593	44104	24355	35061	7774	7090	12758	16910	18554	9421	2024	11718	0	12404	19920	9177	13282	8521	8335	6972	25650	16682	19372	36354	26605	59189	14656	23665	44650	17938	3828	0	22983	21247	19059	24671	21807	16958	16991	14968	12052	30875	19385	0	15914	63699	Peptide	0.41666666	1.25	0.25
20	C17 H15 O3 N1	282.11246	282.1128	0.14143533	282.11252	6381	4674	3650	2084	0	1626	0	3076	0	6371	21518	1709	0	2860	0	1900	3768	2028	0	5928	6942	6231	1229	2904	2223	27498	2600	14766	2250	3028	1269	1605	0	3052	10200	2777	1800	0	3123	9895	24077	2630	624	0	0	6039	9568	663	2053	2196	3852	2507	2003	0	0	1349	2440	3080	2413	3954	3560	7085	5145	0	1384	1661	2417	4154	28173	11506	29624	1828	0	0	1805	2717	0	1845	2054	17592	1418	5046	3474	11373	0	0	1894	4517	1591	5754	6180	5228	5695	10528	4738	0	3191	0	3298	0	0	2886	1494	3839	3964	3192	0	0	2277	1589	Phytochemical	0.1764706	0.88235295	0.05882353
18	C17 H15 O3 N1	282.11246	282.1128	0.14467908	282.11252	6836	3407	4216	3851	1592	0	1108	0	0	9194	15216	899	0	0	0	3266	5334	2449	2091	5993	8035	5994	1747	1779	1625	29249	1142	13155	0	2635	0	0	1886	0	6799	2752	2031	0	4185	8859	17820	2576	559	0	0	4831	6965	0	2194	2424	5047	2218	1976	0	0	0	1333	2557	0	3143	4744	4301	0	0	0	1763	0	3353	25250	17183	38107	0	0	0	1926	0	0	0	0	9170	2364	3447	1245	6950	1658	0	2233	2370	1585	10138	3582	5830	3314	9856	6839	0	5732	1854	1846	1366	0	1907	1742	2052	2201	3997	0	0	1819	0	Phytochemical	0.1764706	0.88235295	0.05882353
16	C17 H15 O3 N1	282.11246	282.11273	0.13096948	282.11252	1782	2256	2268	2481	1164	1615	1927	1581	1553	5131	12061	1192	0	1883	0	2168	3370	2333	0	8052	8543	3342	0	2726	1612	26360	1356	9646	0	1441	2094	0	3075	1714	6550	1465	3241	1222	3634	7772	10452	2431	244	0	0	2445	5827	0	1956	1790	5086	4580	2403	0	0	0	1244	1821	0	5612	0	0	0	0	946	0	2548	1881	16071	25607	29745	0	0	0	1926	3057	0	0	2761	11779	1447	2356	1222	4027	1654	2351	2634	2162	2327	0	0	3624	0	7479	7073	446	3246	5888	1611	1059	0	0	1936	1787	0	0	0	0	2429	0	Phytochemical	0.1764706	0.88235295	0.05882353
14	C17 H15 O3 N1	282.11246	282.11285	0.14960922	282.11252	2185	4906	1957	0	2033	1247	1962	1325	0	10271	7123	0	0	2184	0	0	2251	1612	1519	7539	6062	6289	1203	0	2691	20926	1150	8668	0	1316	1355	0	1639	1453	3588	0	2991	1229	1828	4882	9284	987	0	0	0	1834	4608	0	0	1569	1870	2787	1831	0	0	0	1208	2850	0	0	0	1454	0	0	1026	0	1358	2676	13519	19844	25460	0	1689	0	1594	0	0	1534	2057	0	1281	1234	0	4779	1796	0	2497	1409	1551	12322	3160	0	4822	3591	4467	0	2463	2454	0	0	0	2244	0	0	0	4120	0	0	2321	0	Phytochemical	0.1764706	0.88235295	0.05882353
0	C10 H19 O8 N1	282.11835	282.1189	0.021050628	282.11835	27163	35349	23484	33106	9236	64557	3670	134041	2855	1959	0	44498	12403	9552	23122	2955	6270	26517	18757	0	6696	11011	31828	26389	11573	0	0	0	101274	89403	103031	127515	98537	88664	3937	107028	89754	18160	18666	0	0	46092	0	0	0	5663	0	0	172428	88317	38258	28267	23574	412	2513	1221	3304	158862	0	0	25003	0	14962	4883	3665	13498	56398	14389	0	1622	0	102403	203301	195547	0	143888	0	56506	2192	0	2942	0	0	0	0	0	3229	32928	55487	0	0	1824	29741	0	0	0	36208	30144	2103	0	0	64528	0	0	0	91245	0	0	3959	31781	A-Sugar	0.8	1.9	0.1
10	C10 H19 O8 N1	282.11835	282.1188	0.13592319	282.11838	0	0	0	0	1511	0	0	0	0	2223	8257	0	3128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24982	0	0	0	0	0	0	2330	978	0	839	1381	0	0	0	531	553	842	0	0	759	0	0	0	0	1191	993	1159	0	0	0	0	0	0	0	0	0	0	1205	0	0	0	0	0	0	0	0	0	0	612	0	0	19192	0	0	0	0	0	0	0	0	0	0	0	0	0	9258	0	792	0	0	0	0	0	0	0	0	0	0	1403	901	0	0	A-Sugar	0.8	1.9	0.1
8	C14 H19 O5 N1	282.1336	282.13403	0.06535897	282.1336	369950	418395	315231	366173	228560	188162	255909	352523	262508	412708	235007	239200	295685	107739	284595	446276	385336	346828	440231	604130	554868	546650	264120	424040	229121	377525	265332	206375	412073	364318	343704	414089	457690	363236	574468	369290	476712	248219	477868	511191	560639	241329	7289	2945	4272	368860	409366	3409	472434	315732	357060	376860	245432	4587	389930	164113	170280	376986	298334	336878	397367	314215	274697	277852	120631	281638	230416	386116	340588	441315	484764	337226	352153	313200	279509	388055	3053	243965	294518	243998	224722	283966	319974	304666	192760	166259	283317	248668	303646	518712	291086	484587	598661	332765	468390	5547	375159	393197	176342	193839	195761	462101	258848	444572	165498	353452	210929	3079	253109	365702	Lipid	0.35714287	1.3571428	0.071428575
2	C14 H19 O5 N1	282.1336	282.13412	0.08278056	282.13364	135768	142401	118181	128234	337192	125454	55794	233110	263516	322068	111387	79793	882198	89211	65196	165606	232248	376632	354726	153025	237195	405334	166384	102220	90010	47057	39312	138452	284810	92339	238484	247882	396560	228512	446746	240230	154681	122078	125951	342012	325882	100885	2661	2125	3498	85364	102955	2219	140066	80144	128876	133769	278406	2703	148827	274958	121380	140581	123506	198228	96147	77992	398470	275566	54430	430428	134537	295464	81932	237388	285520	111296	259790	109008	67495	239756	2305	68734	148160	59657	111626	50134	54970	104808	222570	61183	149524	232062	264548	309014	194536	275288	333330	114089	94724	4942	134106	134731	97540	318572	339034	136979	76192	281358	131744	269058	215772	2530	51013	535014	Lipid	0.35714287	1.3571428	0.071428575
18	C14 H19 O5 N1	282.1336	282.13397	0.13429342	282.13364	85693	77391	75634	75182	83900	75025	60728	96382	46157	59679	45323	49061	95434	54379	67679	109749	76948	125088	116345	69589	71541	89381	68325	114823	72855	19475	54132	57092	124853	80614	90312	98327	153112	116950	70402	101173	164720	47339	86684	64038	70208	82480	6774	4787	6025	52358	43337	4864	112336	73562	77238	82590	89735	4613	86573	53437	38734	134700	51807	48321	125063	41024	65628	60614	32152	97543	85221	79579	27093	30176	32440	86817	80705	76712	66114	73107	4508	58811	59759	68225	45173	38562	52435	41384	42584	49386	73167	90479	95706	91776	107683	116102	149413	49763	77764	6546	80146	84704	37896	47053	49425	140181	45945	89537	24909	106456	44706	4813	61598	96641	Lipid	0.35714287	1.3571428	0.071428575
0	C14 H19 O5 N1	282.1336	282.13416	-0.024095505	282.1336	27038	30340	27348	23571	36644	19119	15976	32935	33613	25939	19513	18082	44528	17092	19321	11431	40845	51215	38081	25094	57189	38923	23654	20995	10612	16081	7150	16891	42496	15927	27559	27392	52567	33106	45700	33693	43550	17753	51984	30005	30087	41082	2359	2655	3794	16426	14989	1723	35921	17707	28257	24367	41918	2503	34246	30526	17657	46373	18333	23028	19142	17284	41257	34125	31711	40318	38206	48768	17841	23992	20154	28444	36416	25529	10128	38570	2973	17913	18084	12754	14804	11600	15498	10741	25586	20697	16984	35384	40404	21071	23437	25905	38601	20691	14840	2706	24543	29153	20535	25746	27704	28208	14919	25174	14432	39148	35732	2649	14540	58344	Lipid	0.35714287	1.3571428	0.071428575
4	C14 H19 O5 N1	282.1336	282.1341	0.04689037	282.1336	237320	556262	236225	235899	173873	130058	153328	376788	151596	173828	116343	138214	293237	77287	225156	187250	327401	459834	220962	204474	219725	252719	115871	186769	180548	68033	182108	85368	687507	261642	379216	333046	635092	293198	250336	321786	673244	218034	930864	162090	407104	180790	3533	2782	3998	146458	173634	3415	625335	165033	245590	204463	175311	2969	376712	160652	97265	390666	229022	336844	178248	107592	398628	322946	66187	451280	154438	314786	99799	102201	139936	350348	295232	239673	406296	755906	2632	125947	226024	69765	208438	95259	290840	79006	123591	252866	222098	162084	567486	403476	128025	154973	532002	122071	158818	7175	217242	252298	108209	154458	155028	539982	141187	194344	98361	362348	118055	3562	214044	541190	Lipid	0.35714287	1.3571428	0.071428575
14	C14 H19 O5 N1	282.1336	282.134	0.081836216	282.13364	576922	562168	533632	612870	424563	345725	464051	474435	330384	835414	443847	335019	373969	176799	318959	580998	561217	555923	470311	891091	838018	806767	264536	445468	349276	298750	446150	381897	548285	460542	496036	724066	798156	669312	902171	585110	869128	282759	616255	853844	658574	351086	9504	5043	4636	417053	413728	4940	687623	389039	587901	531885	422140	5740	424604	201767	235522	769960	420793	440990	511290	447628	294012	317059	168675	408919	336018	600764	260660	406422	418035	519214	537514	493088	482995	586680	3981	340152	270295	397314	229517	332368	517606	552616	235020	218997	358491	447604	482292	720004	720841	828210	734903	478233	748881	7934	594811	505706	227040	205651	227633	687029	322670	653592	224042	667551	267603	4928	372018	409360	Lipid	0.35714287	1.3571428	0.071428575
16	C13 H19 O4 N3	282.14484	282.14505	-0.38104948	282.1447	209248	222207	214689	230330	258514	205460	202752	200467	216622	287152	182138	139420	318721	190949	168211	273765	230281	379085	380867	384254	348698	223229	189798	200304	167422	200979	187897	167604	226328	188206	192130	224304	286658	186918	277298	218197	287547	149139	239371	199130	192994	195735	0	0	0	137654	153199	0	242130	161359	233207	230545	244429	0	294491	230542	163289	290799	129895	147509	234263	127071	287080	229973	123013	286178	217457	226451	159812	246972	196945	163687	189241	166594	204594	202479	0	135511	209145	165407	136800	112398	210428	194185	238255	170631	246156	223283	236046	240711	244072	270877	246153	138741	226162	0	219704	239409	187596	260897	300840	303785	127986	215196	79601	194329	216476	4292	169772	289732	Peptide	0.30769232	1.4615384	0.23076923
12	C18 H19 O2 N1	282.14886	282.1492	-0.020612024	282.14886	0	3862	2760	2449	0	1591	0	3625	0	7108	14053	1274	0	0	1635	3511	2609	0	0	12953	11280	0	2258	0	1139	23733	1257	8354	3279	3489	3207	3313	5632	3294	6367	3655	3796	0	2953	1613	0	1819	0	0	0	1734	0	0	3043	2797	3494	3549	1027	0	0	0	971	0	0	0	0	0	0	0	0	0	2000	4853	0	15546	13678	2075	2436	2250	3839	1828	0	1305	0	0	1137	0	0	4544	0	0	0	1834	1673	5710	0	0	5239	0	7375	0	1663	1969	0	0	0	2617	2218	0	0	4091	0	0	0	0	Phytochemical	0.11111111	1.0555556	0.055555556
20	C18 H19 O2 N1	282.14886	282.1492	0.10196287	282.1489	0	2980	0	2227	1594	1302	0	0	0	3387	5563	0	0	0	0	1768	4343	0	0	0	0	1756	0	2775	0	27637	0	6056	0	0	0	0	0	0	0	0	1596	0	1894	4348	10420	1947	0	0	0	2718	5106	0	0	1366	0	1680	2405	0	0	0	0	1905	0	2579	0	2120	0	0	0	0	1465	2553	20807	9993	24913	0	0	0	1380	1780	0	0	2099	4964	0	3099	1093	0	0	0	0	1745	1466	4773	0	2248	2217	1409	0	0	1811	0	0	0	0	0	0	0	1498	0	1439	0	0	1471	Phytochemical	0.11111111	1.0555556	0.055555556
10	C18 H19 O2 N1	282.14886	282.14923	0.0915394	282.1489	4132	3268	2197	3213	0	0	0	4018	0	8782	13008	2044	0	0	0	4323	4509	0	1499	12826	8869	0	1442	13045	2568	15971	1598	14661	2609	3031	3008	2984	12997	4202	5915	4194	14013	1913	4567	3784	1063	969	0	0	0	1996	2679	0	4242	4571	3144	3007	719	0	0	0	617	2811	0	0	0	0	0	0	1027	0	0	7688	7018	15053	12623	2026	4763	3477	2888	3194	0	1954	1193	0	915	0	0	3428	0	0	1433	2338	1540	8127	4488	0	9163	2889	6025	0	2757	3629	0	0	0	24287	1281	0	0	5013	0	0	1146	0	Phytochemical	0.11111111	1.0555556	0.055555556
8	C11 H23 O7 N1	282.15472	282.1553	0.009268374	282.15472	3148	2004	4109	3768	705	1469	1008	0	0	0	7225	0	2459	0	1411	0	1309	13037	1415	0	0	0	874	1779	865	956	1151	22135	0	775	0	0	1578	0	0	1778	0	742	0	5566	5468	1201	1273	669	1476	7029	11250	750	0	0	2910	3190	1211	2006	1520	1251	666	0	14332	1861	0	6530	1817	1420	9229	3107	2924	0	0	0	0	0	0	1055	0	0	1503	0	0	36493	0	0	0	0	1746	14215	0	1035	0	0	0	0	1514	8814	2139	692	3795	3482	0	0	0	1227	805	3881	529308	1582	1998	494	0	0	A-Sugar	0.6363636	2.090909	0.09090909
12	C11 H23 O7 N1	282.15472	282.15506	-0.015610859	282.15472	0	0	0	0	1232	1250	0	0	0	0	0	1322	0	3403	1014	0	0	0	1428	0	0	0	0	0	1299	0	0	11946	0	0	0	0	0	0	0	0	0	0	0	1206	0	3155	2447	2940	1750	0	0	2683	0	0	0	0	1352	2402	0	0	5031	0	0	0	0	0	5939	1287	19332	6887	11702	0	0	3515	2894	0	0	0	0	0	1861	1192	1553	0	0	1991	1004	1135	1642	18763	0	0	1203	0	0	2030	0	0	0	2283	0	0	2993	926	0	0	923	0	23487	1506	1735	2615	0	1536	A-Sugar	0.6363636	2.090909	0.09090909
22	C15 H23 O4 N1	282.16998	282.17032	0.118170835	282.17	29546	28728	24071	25546	62155	38250	20221	33703	28558	11526	12344	20695	42511	30702	28578	42728	50302	44833	43177	21928	21185	14961	24587	25264	25631	4363	23295	13992	35033	28797	24755	35403	37589	36518	11605	29723	43911	20575	42847	18097	18734	38340	4220	0	2648	18617	23666	2781	36107	24245	27509	35887	56667	2955	41630	42089	45452	43763	19597	27063	40342	9083	26216	33349	28941	49027	57865	39205	3311	4800	2640	28509	25808	31881	27598	27266	2905	18675	24273	18143	15367	17030	20543	6752	51101	35177	32746	37938	31247	35668	45468	30750	31222	17106	22743	3038	22273	37569	40699	53790	76228	44738	18237	29621	25436	32016	50859	2717	26607	28449	Lipid	0.26666668	1.5333333	0.06666667
20	C15 H23 O4 N1	282.16998	282.17032	0.11971606	282.17	60992	64479	64615	48194	110554	60242	50070	64731	42814	44241	41687	49262	76416	48632	49649	96622	97346	93877	84103	72340	73547	62620	53255	71706	52168	23062	56160	39163	93944	70105	51362	77900	80955	82830	36106	83620	90557	36708	95749	44490	53486	70147	4876	1954	1994	52917	81891	2150	77924	50461	64628	57599	78554	2742	60074	63141	34886	104656	40514	61201	83359	28463	53627	45980	33008	70555	58495	88967	19539	29428	22917	59927	71498	70503	90301	59952	2038	44244	53387	74245	30140	36367	47766	28484	67153	50098	66262	72885	56157	106532	117375	102405	96403	60361	74416	2229	62073	65891	45426	80576	100149	115313	40173	90434	49972	72511	72098	2405	50963	61547	Lipid	0.26666668	1.5333333	0.06666667
18	C15 H23 O4 N1	282.16998	282.17032	0.0796965	282.17	138770	122141	118759	115442	106649	80428	117266	152010	54990	110605	86845	106253	100285	69876	101058	189707	193552	121117	148509	183170	161975	153396	99165	167295	93135	80829	113668	79411	165201	149828	130542	151754	183011	161271	99544	172120	184174	84860	187705	108535	127401	95929	6712	1963	1726	128456	116691	2149	161756	118412	126444	120605	93464	2929	93159	91204	63528	180660	84159	126940	172311	90420	108028	67917	59099	107275	93482	186024	78022	82897	97918	134032	130453	137798	178244	137572	1579	89772	102051	123023	71635	80824	106915	88131	102485	88497	116953	106985	103308	203307	192439	203273	214075	97578	185069	2667	133282	134913	61272	103074	137525	208807	90671	161910	66299	150913	91518	1634	98314	74060	Lipid	0.26666668	1.5333333	0.06666667
6	C14 H23 O3 N3	282.1812	282.18167	0.003279329	282.1812	14023	16193	13748	13381	6000	7116	9406	17046	5062	15032	7279	7585	4365	4776	11780	18704	12151	9352	13890	23192	21217	32411	9766	18676	11886	13281	6984	12431	16618	10357	13460	16652	17958	14090	18102	14987	16010	8223	17874	16020	10706	5587	0	0	0	13682	13958	0	17425	11329	15647	11702	4704	0	9412	1523	3327	16793	1105	2635	16135	10678	6757	5177	2840	6749	6561	25964	15229	24843	24808	12137	11379	16023	15713	12855	0	9172	9420	15764	7748	4509	3142	13315	3627	2976	11536	6806	7895	26135	27346	11979	29249	7522	13894	0	16595	13083	2772	1881	3403	17071	7713	13054	0	18279	3112	0	12343	9652	Peptide	0.21428572	1.6428572	0.21428572
8	C14 H23 O3 N3	282.1812	282.18164	0.041957922	282.18124	7384	9985	6685	8347	3514	6056	5748	12095	3098	6534	4833	4871	2227	2126	6877	11311	9093	3762	5268	13564	8785	10435	5210	12455	7841	6206	5421	7347	9776	9174	9852	10282	9491	9549	10661	8747	13997	4366	9010	14167	6169	2378	0	0	0	7245	9205	0	13449	12964	8431	9271	3008	0	2968	949	2346	11849	0	2149	11931	4084	2522	2331	0	3014	3170	12275	4853	10401	8330	7321	8883	9246	8371	10769	0	5365	6316	9246	4779	2789	2547	7236	2155	0	7852	4199	5244	20258	21568	7920	22663	6415	10868	0	8354	7921	1860	2161	0	10854	6669	11475	0	9975	2565	0	7092	5309	Peptide	0.21428572	1.6428572	0.21428572
2	C12 H27 O6 N1	282.1911	282.19162	-0.17409907	282.19107	0	1168	0	0	462	0	0	0	1457	2247	2070	0	0	660	351	0	0	0	0	0	0	0	0	0	872	0	0	1709	0	0	0	0	0	0	479	0	0	0	0	1746	0	0	0	0	0	0	797	0	0	0	0	0	0	0	8258	0	11029	0	531	0	0	1076	0	6287	3063	1153	5431	0	0	0	0	0	0	0	0	0	0	0	0	3703	0	0	0	0	0	1286	0	487	579	0	2261	0	0	689	2714	0	0	0	0	0	0	0	0	588	59753	0	0	0	0	0	Lipid	0.5	2.25	0.083333336
16	C12 H27 O6 N1	282.1911	282.1916	-0.10827637	282.19107	0	0	0	0	0	0	0	0	0	0	0	0	6682	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	416	550	490	0	0	385	0	0	0	0	0	426	0	0	3114	0	0	0	0	0	11588	0	8434	81302	11467	0	0	0	0	0	0	0	0	0	549	0	0	0	0	0	0	0	2652	3240	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6974	0	0	0	0	0	0	0	0	0	Lipid	0.5	2.25	0.083333336
0	C12 H27 O6 N1	282.1911	282.19156	-0.2178804	282.19104	17510	22171	22430	19309	3926	0	0	0	6196	237649	161272	0	2142	23983	0	0	0	1626	2665	7650	10753	20729	0	0	0	0	0	901109	0	0	0	0	0	0	217345	0	0	0	0	2858	0	16325	0	0	0	0	0	0	0	0	20058	13997	2514	0	4021	0	11898	0	1558	0	0	2004	0	1365	3533	4265	21146	1127	0	0	0	0	0	0	0	0	0	0	0	2045414	0	890	0	0	0	0	0	5480	4631	0	106195	44006	0	388893	207627	0	19259	22271	737	0	0	0	0	0	26066	0	0	0	0	1175	Lipid	0.5	2.25	0.083333336
8	C12 H27 O6 N1	282.1911	282.1918	-0.1914429	282.19107	0	0	0	0	0	0	0	0	0	1511	0	0	0	0	0	0	0	0	0	0	934	0	0	0	0	0	0	0	0	0	0	0	0	0	1001	0	0	0	0	0	1610	0	0	0	0	0	2795	0	0	0	795	0	0	1212	0	581	1738	0	6578	0	0	5178	0	0	0	0	933	0	0	0	2111	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1024	0	1506	0	0	1083	0	0	98100	0	0	0	0	0	Lipid	0.5	2.25	0.083333336
22	C16 H27 O3 N1	282.20636	282.20673	0.08243425	282.2064	24706	18854	21094	21979	16830	25449	10363	23227	3857	42752	27362	10947	9686	17479	10511	50115	34260	16958	15138	47285	37644	24904	7739	20945	25007	21170	12896	28355	19510	24994	14048	32393	28239	25457	34598	24734	22300	8528	27380	13834	29725	28672	4821	0	528	29775	59339	0	35314	78088	19989	21104	9984	4656	4776	1484	6236	33562	10553	43992	31286	9499	9711	5026	7475	32448	21984	41396	14119	12189	22505	20911	20840	21560	41290	31338	478	10532	13299	31485	10448	17731	16828	9612	7502	8150	26180	28835	16720	55859	57778	47072	37771	28072	65975	0	18059	25049	8688	1926	7762	24867	10658	27328	14450	25147	8110	0	18613	24395	Lipid	0.1875	1.6875	0.0625
14	C16 H27 O3 N1	282.20636	282.2067	0.15601715	282.20642	0	2723	5505	1940	1714	0	3489	3025	0	1976	2556	1671	0	0	2738	4772	2437	0	0	3957	6104	4582	1930	3674	3131	2818	5347	0	3573	3020	3305	0	7361	3778	3171	6255	4676	2488	6052	2947	0	2409	0	0	0	2605	0	0	6690	2635	2274	1783	0	230	0	0	0	7324	0	0	0	0	0	0	688	0	1941	6870	0	3977	5600	3681	2277	3036	3824	3778	0	3322	2722	0	1155	0	0	2770	0	0	4111	0	2418	22711	12066	3256	15696	0	4520	0	2770	1955	888	0	0	3180	1598	2914	0	6789	0	0	4014	2605	Lipid	0.1875	1.6875	0.0625
24	C16 H27 O3 N1	282.20636	282.20667	0.109763145	282.2064	15643	16539	13050	17272	16839	17533	9169	12130	7034	34731	32390	5457	10881	20067	10234	22145	20802	21085	14273	41211	39172	21090	8515	12461	22602	3843	13965	44580	18604	14823	10603	16261	18676	15838	34648	22398	16367	9349	15871	12185	8500	13775	5159	3177	0	17757	16883	2769	16512	18188	13000	13937	14699	5215	10062	4461	9421	21956	16961	17146	23220	7380	9516	5620	10257	16801	25766	18726	2389	4003	2370	8770	14851	14774	15560	13924	0	8999	5560	27194	6697	18820	14349	9952	7302	10779	10569	12394	15225	25600	55572	52197	24646	20850	39797	3089	17123	18554	10141	4595	6639	21478	6530	21509	25949	18608	8911	3506	16014	10942	Lipid	0.1875	1.6875	0.0625
18	C16 H27 O3 N1	282.20636	282.2067	0.06120477	282.2064	3589	3929	4090	3200	1750	7223	3093	6210	1256	5658	3101	2241	1559	2315	2110	9307	7194	3351	0	4218	8457	4475	0	3943	2469	5746	3785	4253	3466	6202	5297	7619	7634	7196	5799	2894	3475	2073	10039	3811	8279	9214	2154	673	283	8030	8478	3036	13342	16810	6506	5764	2148	2794	0	1191	1660	5709	0	15208	7234	1544	2847	0	1102	7171	3521	19527	3986	4032	5653	2622	3473	2713	9817	5966	533	1332	11524	6804	1898	1233	1195	3897	1897	1797	7172	6757	2519	22055	9824	4422	10091	9222	15686	406	3709	7076	2223	0	4147	6629	2647	4845	0	21552	3146	592	3602	5701	Lipid	0.1875	1.6875	0.0625
12	C16 H27 O3 N1	282.20636	282.20676	0.027078342	282.2064	6422	6754	4463	4229	3038	3128	2759	4245	1647	5377	3939	3135	2904	1600	2695	7024	5889	3428	4420	8976	6944	6619	4114	7374	5569	5677	2504	0	7068	4708	5348	3976	11027	7488	9890	5905	10053	3543	5394	4826	0	3167	0	0	0	5653	5462	0	7465	5372	4227	7414	2799	261	0	1046	1507	9144	0	0	0	0	2226	0	1495	2438	3414	5476	0	9627	11399	6115	5100	4650	5718	7032	0	2941	4663	0	1512	0	970	5050	839	0	21980	1999	2702	49990	33130	3490	18491	4566	8804	0	4843	6684	1418	0	0	9168	1833	0	0	6745	883	0	5647	3904	Lipid	0.1875	1.6875	0.0625
20	C16 H27 O3 N1	282.20636	282.20673	0.142994	282.20642	13485	13962	17446	15763	14276	16540	7669	8909	6279	24566	15947	6990	10627	15888	4757	23275	21025	14171	13844	27137	28989	9976	3811	13623	8456	58634	7507	15754	8400	13127	7531	11368	18405	17840	20173	17834	12380	2820	17133	16999	22195	19816	6929	0	323	16344	30481	0	26107	23390	14351	15426	13701	5962	8549	3638	4647	16518	4206	38136	15448	6480	16466	12103	4936	33504	11006	22071	34695	33409	50607	11224	10359	10370	19520	20224	495	4948	5969	21110	2938	8543	9578	8398	8590	7232	13743	24136	11578	40098	40658	20410	20992	12479	34614	1371	14862	14798	8129	5979	8108	11063	3688	9298	9161	13578	9523	0	8271	32469	Lipid	0.1875	1.6875	0.0625
10	C16 H27 O3 N1	282.20636	282.2068	0.061319217	282.2064	19425	16989	18090	17681	7718	5630	20471	23096	4530	22375	9620	12151	3630	2425	18784	29335	17011	6959	8983	22283	22145	20545	10329	26618	15754	11508	29084	10610	25479	23562	19581	23048	36323	18694	27558	21322	37567	18590	23628	20775	7583	8338	0	0	0	14834	12314	0	38180	19063	17546	18776	7735	0	1987	1409	6055	34360	0	0	29566	7728	3843	2574	3450	5945	8858	20793	7764	20604	17300	21778	19316	21822	15499	23777	0	12211	11340	8719	7399	1968	0	13365	1634	4375	53934	6715	9620	68972	52082	10176	32222	13626	24341	0	20445	24285	2710	1916	1342	32160	13087	16573	0	16944	1648	0	16344	5698	Lipid	0.1875	1.6875	0.0625
8	C16 H27 O3 N1	282.20636	282.20682	0.08528928	282.2064	72403	72978	60244	61905	13140	11832	90234	56671	8822	70295	35947	53997	8349	5841	31123	96645	50568	13986	26033	61595	62777	70223	41753	99533	30366	19417	114229	27006	47819	96487	87745	105749	91698	97557	93742	54069	102395	50029	101299	71187	34332	20580	0	0	0	65829	54265	0	144763	49355	56334	71092	15494	0	6521	3915	12169	128527	0	3347	107508	26348	9205	8621	13049	16390	20461	107990	14852	39198	26238	162520	106683	62791	98506	106752	0	49323	45022	20780	43499	5336	4136	43746	3638	4980	59341	24742	32961	127855	140455	25566	127252	57026	78604	0	71468	61714	6455	3986	3510	89450	64890	39186	22035	77083	6542	0	50874	10351	Lipid	0.1875	1.6875	0.0625
24	C17 H31 O2 N1	282.24277	282.24307	0.079550564	282.24277	2434	3203	3939	3488	1586	12023	1687	1744	0	10816	1055	0	3475	2806	0	9879	7364	2396	1525	1782	3358	0	0	3598	0	0	1291	2381	1249	14667	2855	9261	6402	2386	0	6461	2052	0	2670	0	8997	9678	2560	0	0	6164	17264	0	21090	48705	3607	2859	0	10575	0	0	0	2417	0	67528	1887	0	7081	0	0	8775	1537	13834	0	0	1205	3904	0	3599	2460	19645	0	0	1174	3630	0	4811	991	0	0	0	30041	12595	1111	17944	6271	3939	13289	0	13428	0	4912	3054	0	0	0	0	0	0	0	0	0	0	882	23918	Lipid	0.11764706	1.8235294	0.05882353
12	C17 H31 O2 N1	282.24277	282.24307	0.059321765	282.24277	0	2293	2925	1489	991	0	7103	4171	0	1477	0	2464	0	2700	0	5463	0	0	4059	1267	0	0	1618	0	1237	867	29704	0	8385	9500	6505	3854	0	3412	0	2291	2321	1538	0	0	0	0	0	0	0	1392	0	0	5936	5958	2074	0	1005	0	0	3713	755	2585	0	0	0	0	0	0	857	0	0	0	0	0	0	7019	6156	9996	2441	7938	0	2032	1476	0	1633	0	0	2798	3110	0	18840	1081	3894	18961	14194	0	5982	0	0	0	2356	0	0	0	2452	2718	3306	0	0	3249	1689	0	1942	0	Lipid	0.11764706	1.8235294	0.05882353
8	C17 H31 O2 N1	282.24277	282.24313	0.030729992	282.24277	2813	2638	4124	3530	0	0	3006	4222	0	938	1042	3819	0	0	1998	13201	5407	0	0	0	0	1101	1833	16464	7073	0	4503	0	4242	6293	7038	7792	5783	5126	0	3212	5604	3511	5450	0	0	678	0	0	0	0	0	0	8620	2848	4024	2546	0	0	0	0	0	12155	0	0	9242	0	0	0	0	0	0	8482	0	0	0	8815	6651	3823	5547	2957	0	2357	2936	0	2861	0	0	0	0	0	3503	1451	1503	15126	0	0	24080	0	0	0	4364	2935	0	0	0	4241	2343	0	0	19793	0	0	4083	0	Lipid	0.11764706	1.8235294	0.05882353
26	C17 H31 O2 N1	282.24277	282.24295	0.06506068	282.24277	0	0	0	2201	0	3274	0	0	0	1911	0	0	0	0	6142	0	0	0	0	0	0	0	20854	0	0	0	0	2878	0	6361	0	4241	2700	0	0	0	0	6583	2471	0	3614	0	0	0	0	0	0	0	4746	8191	0	0	0	0	0	0	0	0	0	18109	0	0	0	0	0	2614	0	8481	0	0	0	0	0	0	0	5703	0	0	0	6050	13672	3632	0	0	0	0	0	3248	0	2401	2582	1453	0	0	7409	0	2004	0	0	0	0	0	0	0	0	0	0	0	3251	3747	Lipid	0.11764706	1.8235294	0.05882353
6	C17 H31 O2 N1	282.24277	282.24316	0.058864035	282.24277	2459	3047	3194	2058	0	0	1182	16799	0	1273	0	2504	0	0	2383	10409	3429	0	0	1496	1050	0	1903	51995	2999	0	2099	0	5814	5109	9039	3692	3750	1980	766	4316	2842	2186	2702	0	0	0	0	0	0	2514	0	0	10207	18011	2199	2622	0	0	0	0	0	7332	0	0	6855	0	0	0	397	0	0	4818	0	0	0	4950	2591	4830	3809	4124	0	2110	2011	0	1941	0	0	0	0	0	6344	0	0	5901	3168	0	4694	1191	0	0	2460	1867	0	0	0	2945	1821	0	0	4032	0	0	2239	0	Lipid	0.11764706	1.8235294	0.05882353
10	C17 H31 O2 N1	282.24277	282.24304	0.06869943	282.24277	1936	2337	1742	1042	1157	1517	12931	2620	0	0	0	3244	0	0	2308	6163	1460	1212	0	0	0	0	0	6530	8282	0	31999	0	987	957	0	0	3188	1255	0	0	1121	1529	0	0	0	0	0	0	0	0	0	0	2440	1528	2181	2810	854	0	0	0	0	8636	0	0	0	0	0	0	0	0	0	2443	0	0	0	1286	0	0	2044	1519	0	3951	1829	0	2657	0	0	0	0	0	6935	0	1277	23923	3123	0	25319	0	0	0	1421	1703	0	0	0	3512	2415	0	0	5982	0	0	3007	0	Lipid	0.11764706	1.8235294	0.05882353
28	C18 H35 O1 N1	282.27914	282.2795	0.19728777	282.2792	1330938	829488	1055678	982360	270320	288002	173633	293824	2149586	240493	458376	0	248821	263794	575752	268428	362998	280637	247204	267998	247197	244205	1049722	238462	300133	286489	254808	270136	247909	292500	289214	288517	255272	295629	260531	269285	259456	2221013	310400	209117	274471	299038	344938	367673	405081	265277	251933	345809	271338	315524	1182010	1016061	289501	457820	720803	1402142	997250	240547	832562	345128	223451	1384212	235160	467404	580821	2950499	400334	402672	405244	255010	239603	268887	270538	308545	292937	274918	484041	444279	250870	276008	291507	290639	274594	297256	249935	246273	259524	222202	285535	443197	217894	246586	231881	354047	268092	347597	1186481	1443837	5351030	247672	249769	241365	416330	248764	448533	291390	254841	367133	288897	235682	Lipid	0.055555556	1.9444444	0.055555556
16	C12 H10 O6 S1	283.0271	283.02747	0.1494686	283.02713	3013	1655	2923	2147	10957	6788	1779	0	5832	3096	0	0	15453	4794	0	1930	1831	22278	8341	0	0	3190	0	1813	2599	0	0	0	2452	0	0	0	2931	1496	2024	0	2533	0	1779	0	1687	2799	254	0	0	0	1584	0	0	0	2507	2348	10440	0	6170	5403	2944	3582	1813	0	0	1055	3437	3664	3757	10245	2542	1637	0	0	0	0	0	0	0	0	0	0	0	3490	1197	0	0	0	5211	3796	3468	3037	6145	0	0	4202	0	4378	5957	0	3270	3940	3147	5308	4474	0	0	0	0	0	7369	0	1548	9624	Organosulfur	0.5	0.8333333	0.0
8	C12 H10 O8	283.04483	283.04532	0.19831498	283.0449	9148	7660	6398	10394	38228	13459	1778	1699	36665	1719	1731	3685	73225	14096	2172	1875	2028	30282	34509	2493	1851	3906	4628	929	967	0	866	0	1120	991	1633	1540	3701	1171	2632	1033	4391	2321	1743	0	1658	8966	0	0	0	0	2595	355	1171	899	7921	10963	21173	0	31928	40352	14076	2320	2187	1605	0	1297	80182	45537	11738	52367	14391	1986	0	0	0	1197	1019	819	1892	757	0	1410	3920	0	4650	870	706	0	40009	9056	5068	15481	13865	2535	0	0	0	3688	2736	0	8534	8703	29104	66096	52548	6079	2812	0	0	3671	32036	0	807	77513	Phytochemical	0.6666667	0.8333333	0.0
10	C12 H10 O8	283.04483	283.04526	0.15149403	283.0449	14607	11715	12482	12576	52524	23599	1283	2189	51830	1774	2907	6443	89367	28088	5234	3893	4462	54778	55275	2614	2829	4655	10389	1380	0	0	2377	0	2715	1135	2678	1381	8219	2415	3761	1601	8590	4098	3166	0	1807	14663	806	0	351	2728	2172	556	2647	1219	13294	12204	29349	392	49510	47218	18553	4118	0	1776	0	0	99934	58305	17947	72336	18697	4691	0	0	0	2594	1420	1393	1932	2320	0	5495	9360	0	7728	1257	0	0	54043	13418	8907	19444	23357	4001	0	2000	3283	4347	2035	490	13780	9950	33390	63262	57389	5691	5193	0	0	3750	36345	533	1932	115101	Phytochemical	0.6666667	0.8333333	0.0
16	C12 H10 O8	283.04483	283.0452	0.1917392	283.0449	3305	4353	6216	3812	23072	14907	1580	0	20276	0	2577	2614	34470	16736	4169	2899	1765	29948	18962	1817	0	2867	5903	2109	2252	0	0	0	0	0	2738	0	4812	0	0	0	3600	6009	1697	0	0	5818	864	417	1124	0	0	1392	1625	0	4980	5420	15472	568	16958	17276	10416	3020	0	0	0	0	34848	18097	9537	31450	6332	1506	0	0	0	0	1374	0	0	1564	975	2952	4326	0	6497	1440	0	0	24529	10662	3282	7687	8429	0	0	0	0	0	2926	1108	5033	3378	7281	17821	16663	6010	2122	0	0	0	12061	588	0	38329	Phytochemical	0.6666667	0.8333333	0.0
14	C12 H10 O8	283.04483	283.04523	0.19775285	283.0449	8877	8350	8695	10414	39945	24457	4790	2055	35968	2089	0	4448	68290	27816	3777	0	4082	45218	40268	0	1662	0	10051	0	2634	0	13571	0	2259	0	2272	0	6167	1724	1920	0	5952	5680	2794	0	0	10513	0	661	598	0	0	1096	4033	2824	11431	8662	25296	0	36438	24380	15439	3824	0	0	0	0	79136	41278	12337	40785	13662	4087	0	0	0	2269	1951	0	3841	2415	415	5497	10657	0	8587	1036	0	0	33188	17199	9793	15273	19408	0	2662	2707	4541	4574	0	703	9668	7352	21077	39154	42275	4687	4504	1917	0	4422	19331	834	3226	69310	Phytochemical	0.6666667	0.8333333	0.0
12	C12 H10 O8	283.04483	283.04523	0.19292368	283.0449	12825	10024	13023	17009	49958	24462	8204	2024	47477	0	3339	4383	79948	25505	6872	2480	3991	53339	47563	3214	4012	0	10960	0	1228	0	9514	0	1733	2362	4332	2920	7722	2863	1988	944	5069	5383	1962	0	0	17130	818	599	599	0	0	921	2875	1552	15240	12271	29149	445	45372	38621	18551	1499	0	0	0	0	101537	47356	13980	63648	20455	0	0	0	0	1850	1757	1439	2496	2333	0	6009	8715	0	8724	748	994	0	45461	16186	12129	16768	24097	6309	2741	3188	2721	5427	1417	817	12713	12128	29355	48300	48645	6391	4855	0	0	4310	27945	0	1448	117357	Phytochemical	0.6666667	0.8333333	0.0
6	C12 H10 O8	283.04483	283.0453	0.14859091	283.0449	5132	4967	4041	3475	21351	6122	860	0	19283	1093	0	1122	38101	6446	649	1321	873	14785	18563	0	920	1733	1521	0	525	0	1340	0	0	655	1323	0	2393	1056	1628	0	2557	967	0	0	685	4940	0	0	0	0	0	0	0	0	3400	4756	10951	255	15959	21179	6526	1124	0	1459	0	0	40905	19857	7438	22881	5789	0	0	0	0	1104	0	0	0	714	219	1023	1935	0	1152	490	319	0	17248	5351	1281	7165	5695	0	0	0	0	738	1095	0	3131	5112	10569	31757	28068	2058	1490	0	0	0	14137	0	836	47448	Phytochemical	0.6666667	0.8333333	0.0
22	C16 H10 O5	283.0601	283.06046	0.18156451	283.06015	6874	8613	5374	7606	7782	5258	8875	7127	8953	5497	1716	5365	7844	4829	9746	9116	12466	10021	18617	2090	1790	8806	8606	6752	7560	2411	10934	3282	6797	4816	5154	9358	4585	2424	6924	7461	5556	8785	9447	3342	3712	9505	0	0	1206	6120	4835	0	3473	4809	6882	6038	9302	1469	4844	5899	6185	7674	1755	2862	10340	1831	9893	5401	7965	13154	12775	14941	2222	3250	4864	3244	0	4259	4357	7084	822	4562	13856	7648	14446	4448	2545	3690	7253	10990	21442	10627	10003	28432	2589	3754	10715	4812	4255	0	6727	6645	8583	10194	10570	7551	6658	1950	3114	10597	6973	0	11999	9131	Phytochemical	0.3125	0.625	0.0
16	C16 H10 O5	283.0601	283.0605	0.18544084	283.06015	22392	21489	19625	20786	27267	13677	9859	13163	16495	25090	18691	10882	23425	24331	15826	30888	12217	38278	53969	15424	14967	32906	23044	17751	18846	12648	14253	14271	9854	10030	10967	13297	20522	11902	37833	11501	21053	13274	17048	14631	16475	15800	1843	694	993	9541	13839	1411	14344	10646	16106	24845	22300	1189	17758	12423	15638	29901	6462	9923	17881	6883	21364	16310	14072	34274	23752	11628	10523	9550	13071	12479	7570	4506	8024	14629	871	11717	36756	24644	18702	13687	10114	8342	24464	18944	35438	26732	25606	56091	15908	18672	0	25114	30743	1708	19090	20208	22401	18975	16720	17627	10534	9194	8302	24374	12714	676	19668	25930	Phytochemical	0.3125	0.625	0.0
14	C16 H10 O5	283.0601	283.06052	0.18390925	283.06015	11038	14746	9521	8275	15193	4439	4401	5419	15151	17708	15970	4326	17334	7120	8908	7160	5202	20119	19225	12323	14715	30432	9844	10686	4316	10941	5851	7283	4991	4163	7859	0	7211	4554	30368	4264	6287	5109	7327	12604	9038	8341	0	411	716	8743	10207	835	7553	4737	10422	11075	12182	648	17118	10471	9938	10886	0	0	0	7279	17543	14201	6741	17191	9961	7457	0	13083	10826	2741	5476	4285	3212	7547	550	6869	13280	14811	13598	11232	5692	6669	11703	7870	13588	8590	12933	33240	9591	7412	12930	16128	22734	1176	11247	9890	10840	15696	12271	5213	5655	8272	0	5444	7801	483	8661	14562	Phytochemical	0.3125	0.625	0.0
20	C16 H10 O5	283.0601	283.06046	0.172043	283.06015	18006	17229	18544	17596	26462	11268	24127	17176	16899	12078	10832	17827	18926	19512	18886	20406	25486	37830	40037	5079	12627	29141	24484	23559	19652	6036	26093	7597	16926	14204	10926	11639	21994	10364	13108	11330	19249	18204	20541	8227	4541	18418	2997	1632	1215	13790	8427	2490	10770	15841	17456	19039	20575	1923	12160	15218	16773	27046	4052	9095	26814	3609	24755	17827	15274	29942	27229	28935	5922	4866	11306	12814	7170	5226	13674	15623	975	15486	39165	17211	23197	10697	9234	0	18488	18374	43083	33414	25644	87099	7656	11796	35310	16345	12556	3470	19502	20451	16394	22100	15893	20017	14824	10176	5649	28907	12873	2314	28327	23623	Phytochemical	0.3125	0.625	0.0
18	C16 H10 O5	283.0601	283.06046	0.15517117	283.06015	24876	23844	19778	18741	24082	17665	16971	19906	26105	17735	19346	16172	29660	25257	17707	30461	25881	42462	50573	13932	15701	31214	25187	23783	18148	8115	20349	18833	15862	12521	11935	11844	26798	18334	34568	14423	24522	19777	25431	13324	11342	22639	2514	664	1296	16848	12706	1186	16252	14899	20553	25422	24947	1479	24204	14637	18146	30789	5452	11742	21434	10195	28424	23149	14442	37324	32072	19377	10635	12422	14281	12544	10088	7908	17459	16362	836	14257	42021	24049	22200	15898	10720	5724	28043	27183	33041	32436	32463	44415	15739	20570	32094	21081	28314	2088	21204	22003	22051	22400	24002	28472	14454	11537	7169	22443	19499	774	25772	24291	Phytochemical	0.3125	0.625	0.0
20	C13 H14 O5 S1	283.06348	283.06384	0.16457342	283.0635	9034	9517	5861	4780	14489	13796	2565	0	10266	8696	7168	964	15173	6806	4965	4666	3819	22719	13354	4624	8263	17366	4631	2778	6045	1841	2839	9404	4179	2663	1590	3107	5583	2816	8094	0	4448	1808	3587	11139	11707	5334	0	0	0	4661	4445	0	4367	0	8514	7582	12550	448	10327	8492	4817	8321	7638	5191	4801	5119	4019	7912	5816	13480	8676	4449	1154	5480	3213	0	1587	2158	2032	2324	0	1179	4215	12432	3325	4288	3452	0	6526	7579	6120	6713	8586	3968	27295	29027	7692	11772	14243	0	8670	7216	5649	7917	11522	6191	3282	9244	4630	5597	8270	0	4209	16471	Organosulfur	0.3846154	1.0769231	0.0
18	C13 H14 O5 S1	283.06348	283.06387	0.18798661	283.06354	11050	13394	10963	13331	21670	21999	3882	2402	15268	35206	14115	1630	35278	13954	6221	6966	3522	36361	30190	24442	21559	32639	3487	6381	7706	7325	3227	17332	3485	5043	3991	3539	8315	0	26594	4593	10885	2760	2927	23195	22046	7589	893	0	338	10496	9340	0	4331	0	12060	10683	17461	398	19345	14102	8254	10769	16040	9941	4004	18123	10815	12183	7917	18036	12569	3117	7720	12012	6569	1618	1836	1482	3911	0	0	2899	3998	27446	3598	10986	11678	19846	12680	9347	6329	16278	15130	7344	51186	55942	7463	29528	50668	498	9968	13873	13489	13100	15917	8627	2137	14699	10252	6669	16713	0	7865	20327	Organosulfur	0.3846154	1.0769231	0.0
12	C15 H10 O4 N2	283.07132	283.07178	0.25015292	283.0714	5966	4227	3969	5373	2762	4089	10216	13071	2694	0	2132	9674	2514	2243	5850	14030	16008	7574	6871	1599	1770	8045	4991	7859	5569	2558	1566	0	13890	8607	10220	9760	15052	14353	3559	8096	13874	6248	22660	2078	3895	5168	0	0	0	2035	0	0	12177	10319	5673	8339	6143	0	2300	2012	2973	17666	0	0	0	1956	2115	2204	3694	3032	6467	21440	0	2858	4717	10994	11329	5936	7432	10429	0	8287	9917	0	7210	1540	929	0	2640	1590	9636	8848	8556	48162	6054	0	25417	0	2825	0	7722	6554	1583	2342	1554	9328	7600	2616	0	21303	1080	0	8941	4705	Unclassified	0.26666668	0.6666667	0.13333334
14	C13 H14 O7	283.08124	283.08163	0.14792429	283.08127	259483	234359	235099	241144	491774	383891	133521	141920	634862	180723	123679	120889	896977	287407	178845	150791	125367	848089	630900	178932	230251	219086	196398	129217	108157	52542	112055	89109	153702	129910	135091	158980	284927	140272	266994	153791	247442	166040	134971	154829	161296	247449	14766	6880	9288	121968	102362	8728	144947	105339	235538	223059	383447	8096	908514	399477	230588	191142	142426	99057	180019	138152	750866	685820	184297	613225	291047	135438	103186	110645	131234	124662	126448	137278	108685	129457	6256	143163	179546	146384	160208	92805	77818	70204	400209	236206	200108	227061	308464	151279	150081	184264	183813	143004	119697	10896	233554	246922	354750	395358	371078	249832	152012	151198	77221	151853	343003	7191	95867	853993	Phytochemical	0.53846157	1.0769231	0.0
6	C13 H14 O7	283.08124	283.08176	0.13317479	283.08127	103636	116195	101208	108163	219115	106857	44617	54612	532306	140302	125253	55353	725954	99882	50443	76917	67716	644474	625642	95986	155885	108130	72265	60690	26439	33557	41010	51365	59362	49752	50179	58676	94062	60381	143210	56696	94363	53594	83601	60287	118280	209610	4750	2288	4356	53171	76804	3436	69292	48044	110204	114623	326994	4579	595094	553328	106914	70064	51024	74747	73578	57891	725744	489920	82417	251491	247294	90479	80864	71638	135075	51901	56848	44868	46611	49645	3514	45363	81496	33183	60385	35910	35181	25911	498824	114333	83717	119799	136139	77608	43083	67466	135500	92942	90372	4470	107407	109486	373280	596198	620926	98194	47532	72084	51836	62008	456138	2650	33238	895050	Phytochemical	0.53846157	1.0769231	0.0
4	C13 H14 O7	283.08124	283.08176	0.11212143	283.08127	29257	32542	27081	29940	56704	25663	12266	16791	71874	28068	27536	14975	173904	32996	16719	16872	21663	149536	149394	22743	33314	27484	23124	17202	8899	10579	12423	11104	13141	14190	14243	16239	29655	15600	35969	17039	21395	14736	22399	17192	25810	30575	3587	2623	5618	16923	19810	4845	18934	14345	28096	25429	45031	4261	147052	81440	30321	20801	15560	17895	19698	13832	217202	149818	27215	68155	28459	24972	27300	13719	27375	16141	15194	14913	10138	16436	3324	13235	26491	8045	22104	11526	10763	7984	79556	31759	20156	30625	39781	22744	18419	13238	21468	17606	17207	9129	29186	32667	61808	101724	94778	24638	16801	21125	16069	16530	60672	4189	11547	214498	Phytochemical	0.53846157	1.0769231	0.0
10	C13 H14 O7	283.08124	283.08163	0.12963511	283.08127	394965	357516	334111	332066	761459	473834	144888	163146	939839	451550	343395	177435	1330439	350938	186340	198041	189569	1165267	973724	381665	491711	334217	244677	149141	92307	108164	146839	193505	186561	163451	141038	191382	367892	192953	523470	176921	361082	185327	227880	318867	427146	349217	22133	7526	11401	164275	204907	8630	196898	130857	367744	375026	1161588	10430	1216519	721519	284537	238806	196722	209259	209560	235867	1003082	1971766	261191	926145	369697	226090	284745	228871	316778	147935	163521	146458	181355	163821	8056	151087	248272	198575	192558	135457	114132	123182	702704	376169	263934	339723	409772	302476	182599	249466	172538	334518	336457	10728	365680	395218	641986	767363	724072	339098	170552	235229	128098	164409	691201	8445	100581	1360396	Phytochemical	0.53846157	1.0769231	0.0
2	C12 H14 O6 N2	283.09247	283.09302	0.12657163	283.0925	18715	18849	16124	15138	40929	23599	9995	17426	43934	8132	12246	18793	62419	13486	12857	6077	17844	53102	42167	7035	18302	26281	17515	15938	5070	1547	3727	3888	14318	9070	16923	13360	30023	15053	14407	12620	21596	12758	19264	7998	12110	25607	383	0	328	7972	9235	0	13313	8910	15887	19184	37728	385	45911	24882	24536	19359	9644	9875	6163	5473	74997	53722	23725	61405	32422	23333	3268	4329	5540	13586	12064	8225	3234	11326	0	11833	13515	0	10967	6056	5406	3660	27986	15393	13596	50834	36292	33263	4425	9425	34232	9339	2778	549	18830	17425	23000	31325	27421	14301	15594	9125	6279	27334	23497	0	10117	98891	Peptide	0.5	1.1666666	0.16666667
12	C12 H14 O6 N2	283.09247	283.0929	0.18939717	283.09253	42230	43640	47038	49410	40495	42896	39646	46392	42864	19848	19325	35311	42734	18705	43637	55625	68796	61865	62092	15608	18425	60844	50721	56110	30762	2211	28819	18245	35137	27288	41401	45054	58637	38445	23970	33598	64311	46607	71795	15445	20792	44297	917	481	818	20052	12702	590	51449	33343	43814	41984	46863	531	58969	22001	35446	58567	31337	29042	50226	17560	54555	46889	26429	50988	45639	68525	0	9111	11970	32603	30736	25374	42285	31034	465	39849	63254	23985	40515	14700	17844	5476	25538	25369	63024	47777	48102	112679	37734	47234	113179	18548	16787	732	40827	45578	30421	27833	23468	58949	38022	24395	0	64891	33629	710	37136	88231	Peptide	0.5	1.1666666	0.16666667
14	C12 H14 O6 N2	283.09247	283.0929	0.18988952	283.09253	23933	27589	23740	25599	19149	17729	17692	26736	19695	7622	7927	22656	19376	10723	24728	29729	25143	35249	29091	5477	6703	33883	29769	36187	23794	0	15222	0	16067	17409	23366	19435	30432	20958	11585	16660	32604	20744	37601	7581	10624	25245	0	513	578	8387	5485	499	22592	17030	27307	22577	22650	916	19170	8713	15952	40651	7443	14862	25560	8897	17819	22633	15012	28249	23989	40253	0	3584	2661	19942	22328	13926	23425	17898	344	23318	26064	0	24534	5045	8210	3715	13902	11995	39036	33149	33728	110878	20718	31035	66666	8128	8787	815	28392	17400	12771	9579	8849	26852	24084	15383	0	48449	13022	474	28940	30975	Peptide	0.5	1.1666666	0.16666667
4	C12 H14 O6 N2	283.09247	283.093	0.09512571	283.0925	38232	44589	36147	41211	50021	30501	15188	35469	64562	18462	27311	28203	73034	19016	25914	42202	68475	82680	77382	22275	32579	56366	37001	45026	14445	4747	17964	7219	22935	23916	29494	24411	47468	23918	31330	26943	42412	26193	76885	22988	34135	46918	967	481	424	23129	35326	509	36076	30357	40173	31584	51442	564	72724	59651	38610	41139	23587	35378	38693	18380	97856	75660	42820	65373	38744	65925	11480	8671	13661	25836	24444	21107	19401	23276	300	22369	30764	11290	24023	16264	13607	7832	65229	35744	29081	68591	56516	66837	15202	23468	80833	19292	15914	1227	34720	49556	49212	73748	58770	47573	27955	28701	19304	47075	50244	303	19153	127686	Peptide	0.5	1.1666666	0.16666667
10	C12 H14 O6 N2	283.09247	283.0929	0.14643833	283.0925	83825	65741	64544	71845	68463	56295	48706	72321	84043	40282	40956	63928	88523	25282	68543	94109	87770	130906	107630	35003	52786	101622	76901	84190	47580	7751	59368	31202	65395	51320	61288	64836	108996	73687	50329	59353	109145	65949	110384	36805	56642	70930	1434	557	558	37142	36842	0	71383	54348	74589	75947	76692	757	100907	50326	47609	102486	50631	56907	97523	38840	83965	88408	47321	96793	67381	113143	20677	23398	33673	70946	56315	41598	63959	57773	0	51132	67243	34388	57340	26654	29244	16085	56333	42798	82222	93260	88088	157183	41524	71391	157230	42621	41171	849	74137	71707	46817	42675	41189	91229	57961	48112	26812	103895	50269	0	52696	144642	Peptide	0.5	1.1666666	0.16666667
8	C12 H14 O6 N2	283.09247	283.09296	0.18995306	283.09253	118818	122655	89384	115597	105051	85139	55582	92580	137177	50869	62689	88429	145306	40515	96887	128453	144752	181406	199869	61440	85358	135001	114287	127069	53674	8361	66944	65641	82395	63347	80733	95472	134174	88279	81658	68197	130603	94052	166663	65083	101124	113909	1202	471	508	50925	64413	424	97046	82821	105842	103494	119162	597	167464	67753	83203	120411	69222	79047	129958	51295	153570	164569	82175	145217	117058	164145	25580	30867	47007	78600	79346	53816	81497	76029	389	68715	106607	61187	81364	38460	36722	22610	87324	70029	105825	148474	138892	238592	47075	98242	252422	66505	48733	821	115517	102292	81528	80088	72309	119171	87122	75556	30539	144281	86331	0	69156	272349	Peptide	0.5	1.1666666	0.16666667
20	C17 H14 O4	283.0965	283.09683	0.14312685	283.09653	68811	67409	61133	61826	68554	55523	37909	45590	62167	109691	109568	35454	69055	80826	44962	62211	44740	84599	107768	107220	112513	105661	44414	62509	49274	119971	46097	106399	51351	36597	36147	35495	61727	38664	130828	36799	64171	32816	39274	94226	95669	57569	10023	4804	4742	60872	72283	6398	47238	39222	60463	74080	56909	6253	59193	55965	40511	63143	40031	38109	63274	62264	74808	48904	32942	81947	64045	48493	106622	112658	155268	40478	42889	30219	37016	47571	3195	34288	72658	102452	54964	46029	39508	71898	63278	41133	76734	63786	61022	79983	78637	83340	84274	102623	92934	13808	67976	66975	56844	56804	59494	56840	36728	59611	49493	58708	49291	4194	54438	74322	Phytochemical	0.23529412	0.8235294	0.0
10	C17 H14 O4	283.0965	283.0969	0.111636244	283.09653	19782	21517	13541	15879	13600	9507	15630	18587	12220	27466	14169	14210	11132	10149	15566	20700	14857	15001	17412	20834	21408	23563	14996	22957	11545	27262	16149	11069	14424	15979	15118	18655	20813	11817	25215	14917	15710	13944	20748	17863	22143	10114	3234	1973	2849	17092	17883	2498	16116	15084	16414	19676	10960	1623	15849	11651	11665	24764	11419	18468	20743	10597	12908	10647	8292	13674	9720	22633	27865	24275	34423	13214	12256	17645	14120	18756	2174	11340	20098	16766	21438	18107	14262	11715	16425	11074	21365	9956	13865	22776	6978	16484	19689	13592	17247	3642	15799	19373	14237	14109	14100	18821	14461	14953	0	15458	9065	1953	16578	14339	Phytochemical	0.23529412	0.8235294	0.0
12	C17 H14 O4	283.0965	283.09692	0.15454906	283.09653	27881	42496	31914	32972	24758	16764	26989	28869	25847	32279	25622	22156	16955	11003	23868	42954	28093	27187	33021	41622	36044	39889	27823	31239	23011	45543	23670	24213	23744	23587	26716	22020	36307	21145	53352	20690	25223	28663	31768	30972	40455	19245	2640	1757	2094	32816	38134	2675	34211	25997	34075	31517	22202	1432	24985	15848	18784	30616	19965	27957	32588	20493	29275	21643	15023	19830	21089	38453	49181	47578	67748	24270	23970	19595	25040	31636	1887	22251	33931	17591	35077	28061	25267	26628	25579	14868	35923	18512	22144	50195	39062	34102	36683	24450	34750	2988	34278	37798	23797	23261	21759	30861	22434	27080	0	30949	17895	1732	25623	22901	Phytochemical	0.23529412	0.8235294	0.0
18	C17 H14 O4	283.0965	283.09686	0.16485204	283.09653	78948	83586	80398	75599	90895	55561	49837	67349	53838	138200	124063	43565	82358	64786	54193	80003	53444	104543	132761	145192	123207	111195	69967	77969	50643	156512	47811	97132	49734	46824	46615	60247	69143	43778	141712	48970	68664	49768	65675	106402	111130	62801	6474	2763	3567	71085	71534	3613	57176	55294	82929	88036	66653	3795	67632	55946	52401	84552	45459	47646	72957	62219	82329	53158	47491	93624	70811	63807	133034	173821	214105	41679	37996	39758	42497	60913	2631	42581	87042	100167	66236	72675	43103	69911	75136	62606	82892	67083	65722	116067	97160	91231	109973	88979	137316	6101	80896	79471	62791	62800	69720	65556	44402	61603	39893	57945	56116	2955	60806	79988	Phytochemical	0.23529412	0.8235294	0.0
16	C17 H14 O4	283.0965	283.0969	0.18062499	283.09653	64516	77184	63258	69628	61716	45539	47709	55711	52861	101128	81035	40460	59739	43183	54740	66089	59380	84412	95275	113945	100502	93713	58198	66234	45461	152908	36923	61430	50213	43791	51686	49246	68533	47347	111061	48794	55359	42625	58083	82879	91782	40416	5150	2362	2785	57941	72931	3532	57850	50755	70552	76456	61476	2490	49858	44877	42499	66005	39685	48996	63331	51050	69299	45273	34858	62700	51393	52241	125501	153380	201918	45733	39746	45220	43600	53099	2176	38334	77996	60427	60824	60218	39043	64758	64514	41060	79942	54874	57797	108858	68107	65650	80674	72176	89127	4653	71452	70288	52274	47916	57523	62831	43033	55416	35441	67195	43140	2486	48782	66721	Phytochemical	0.23529412	0.8235294	0.0
14	C17 H14 O4	283.0965	283.0969	0.17276537	283.09653	54900	49613	47692	49870	37549	28486	38194	38294	44078	62369	49652	32796	43130	28751	35043	55613	44547	46502	54578	62564	73498	66889	37862	43595	38072	101229	35742	42890	32742	38063	33156	41646	49373	31072	96834	36241	39053	36099	41750	61577	58086	27934	2793	1488	1988	46283	52478	2922	42687	34187	48757	50551	36869	2263	37869	33260	30870	60515	27532	30232	51420	30322	46543	34350	25217	41523	32958	41640	80770	103277	126127	36466	29541	27158	38319	45367	1656	34969	48265	37073	48548	41595	33598	41083	39175	27022	61723	30503	37871	64483	49981	47467	66235	45213	54350	4004	48343	47679	43982	43127	45667	34869	35905	49647	23384	41807	26470	1663	35829	40129	Phytochemical	0.23529412	0.8235294	0.0
14	C14 H18 O4 S1	283.09985	283.10034	0.65404487	283.10004	13968	16754	27416	30468	12278	11583	0	12061	0	26943	19881	0	0	6029	0	0	0	0	23525	29361	21916	26619	0	9873	21778	16866	0	14998	13455	0	0	15563	0	0	28698	0	0	9851	0	23482	31978	0	0	0	375	12827	21266	0	13331	0	29782	27064	16329	398	0	7719	21526	17702	9802	18163	0	15334	15119	13612	6290	0	0	14407	15144	18981	25734	0	9669	0	10451	10546	362	0	12468	22392	0	13243	10907	18991	8888	7061	14622	13049	15664	0	43703	42072	0	32242	44268	0	17062	13622	8926	9031	9076	16183	10854	20076	0	0	8408	0	18108	0	Organosulfur	0.2857143	1.2857143	0.0
12	C14 H18 O4 S1	283.09985	283.10083	0.97281396	283.10013	0	0	0	0	0	0	0	0	22586	46338	0	13856	0	8403	14438	0	22698	0	0	20034	21809	0	0	26037	14590	9039	12904	0	17433	0	0	21755	0	0	28541	0	0	0	0	0	0	0	494	0	0	16525	14030	415	0	0	24839	0	0	408	0	0	12148	0	0	11937	0	16067	0	0	0	0	17029	0	0	15421	19700	0	0	0	0	0	0	0	0	0	0	0	10943	10231	0	11660	0	19646	0	0	31292	28426	0	38992	30036	0	0	24371	14731	0	14430	30635	0	22290	0	26865	0	0	0	0	Organosulfur	0.2857143	1.2857143	0.0
22	C14 H18 O4 S1	283.09985	283.10022	0.118944235	283.09988	6639	10751	8253	8275	10345	8772	1858	2445	5161	29475	10363	1041	6494	5633	4640	3783	5044	12463	8118	30658	28609	25540	3405	5782	6368	6801	2560	20775	3727	1985	2897	4165	6243	5010	31978	3668	7697	3762	3543	14993	12766	5309	0	0	0	9989	12284	0	3403	2079	8924	8599	8123	0	6323	3375	4703	9848	21631	8483	5460	12249	3912	4033	5250	7511	8127	3575	4046	5589	5678	2604	1829	1151	2746	2171	627	2066	3741	15067	3197	13043	10877	9238	5564	4580	7702	6296	6904	2572	47134	57183	8400	24160	39820	0	7354	11090	6736	3279	4328	7793	2440	15354	14016	4570	8006	0	4776	6888	Organosulfur	0.2857143	1.2857143	0.0
6	C11 H14 O5 N4	283.1037	283.10413	0.08997844	283.10373	2612	2228	2938	2159	2130	1268	1325	2396	2163	0	0	1394	2363	857	3106	4135	3224	3249	3925	1109	1269	9010	6686	38476	3074	0	1343	0	2107	1341	2759	1911	3206	1409	894	0	2337	3577	2684	0	1053	1935	0	0	0	5902	2149	0	1737	2835	3515	2205	2028	0	2063	1136	1664	2757	1610	1515	4353	0	2184	1731	2014	1242	1291	4193	0	0	0	1433	1555	619	0	1013	0	1211	3505	0	11331	701	731	0	1403	1092	3024	2703	1529	9581	0	1675	20407	651	0	0	1881	3041	1621	1153	1372	1130	1452	0	0	22012	1806	0	7069	2895	Peptide	0.45454547	1.2727273	0.36363637
4	C11 H14 O5 N4	283.1037	283.10425	0.17537053	283.10376	3123	2844	2581	2684	1432	997	329	4656	1685	0	0	1349	1811	0	3012	2729	3346	1997	1842	0	594	6016	30760	54998	1614	0	964	0	959	1297	1883	0	1841	0	0	621	983	3588	4266	0	830	1293	0	0	0	3197	0	0	1217	5099	2355	2362	735	0	1852	1189	1156	2367	780	1336	3780	0	2450	1302	1628	1392	1091	3007	0	0	0	978	1163	1707	1179	893	0	1135	3517	0	19400	0	546	318	1728	1228	1781	1312	801	8196	0	0	22558	0	0	0	2320	1976	1963	1741	973	971	1200	1063	0	42166	1329	0	2611	2448	Peptide	0.45454547	1.2727273	0.36363637
10	C16 H14 O3 N2	283.10773	283.1082	0.32796574	283.10782	14847	14979	12579	9183	8205	8124	4989	10623	0	34296	35190	7227	3723	0	7590	8784	25665	10767	21483	24732	34410	22848	9336	20196	8322	46731	9873	30180	14583	5382	3771	13971	14529	9624	29841	6729	13704	10515	20730	28197	29964	12534	0	0	0	21195	39597	0	12366	16347	10560	13719	9186	0	9033	0	7197	21540	0	12303	0	9948	7143	9414	0	7203	7350	30477	27816	47388	56379	9609	7143	5229	11940	12654	0	7926	14085	24339	10746	10899	6186	18312	10677	4833	12060	13500	7230	30285	13845	10059	38232	23256	41283	0	14751	14157	7647	6165	1018	11904	7566	0	0	18843	6939	0	15684	12678	Phytochemical	0.1875	0.875	0.125
12	C16 H14 O3 N2	283.10773	283.10815	0.26114565	283.1078	4002	3114	4338	5557	2165	3420	2677	4845	3810	7453	5123	1933	4414	3547	3765	6232	7537	3092	8313	6219	10201	0	2958	6701	2653	14501	3890	0	3541	2931	5747	3394	6261	2981	6734	2274	6357	4271	10508	3677	11690	2392	0	0	0	5718	8450	0	4840	2649	3702	4115	6052	0	5181	1059	3810	0	0	0	0	0	3626	3614	1769	7070	3303	9634	0	8393	18823	5704	4000	3813	3591	3177	0	3222	6406	0	4856	5108	2007	2715	2665	3269	4445	6765	2372	22146	5306	4878	7173	5026	6847	0	4949	6041	0	4225	4068	6554	2186	3173	0	7961	2807	0	5595	4380	Phytochemical	0.1875	0.875	0.125
8	C16 H14 O3 N2	283.10773	283.10822	0.2999051	283.10782	15111	16353	14871	15411	8343	9207	8232	15570	6411	27396	33903	7716	5250	7026	10737	25416	14757	8826	11313	38709	37320	22236	10362	18696	12561	41229	16443	26289	10413	11034	8040	14796	13140	10020	25332	10809	16509	8754	17967	22659	36258	10389	0	0	0	22404	40143	0	13038	9066	13890	16920	9513	0	5862	4683	6243	15930	2868	10611	18987	10749	7725	5832	0	10023	7935	21684	27843	48054	54639	9744	10470	10434	13227	8025	0	10332	16116	23103	12234	10356	4725	16098	5859	0	15897	13344	7179	42024	0	0	36960	29139	33840	0	16677	14793	4764	3609	0	15225	7416	9336	0	18354	0	0	14967	6270	Phytochemical	0.1875	0.875	0.125
14	C16 H14 O3 N2	283.10773	283.10812	0.354307	283.10782	5732	3992	3577	4501	5224	3668	3834	3469	3284	5451	8464	3921	4272	0	3699	9247	9127	3633	5179	4421	7898	6479	3766	6278	6408	10879	3796	0	4008	5117	3209	0	7233	3501	8117	4536	3752	3748	8146	7426	12025	3092	0	0	0	6043	10336	0	4924	4266	6282	3572	3785	0	4548	1653	2562	6211	0	0	0	2155	3195	2912	1584	3066	3719	8730	0	9288	20386	4144	2658	2386	7067	3462	0	3934	7559	0	5102	5200	3321	3945	2436	0	8777	3191	5800	14911	6167	5590	17902	8623	11358	0	0	2382	2126	3250	2455	7909	2836	3482	0	10491	2248	0	5874	3218	Phytochemical	0.1875	0.875	0.125
18	C14 H18 O6	283.1176	283.11798	0.11288568	283.11765	467481	432249	455830	437822	532970	548957	555740	456918	562146	421162	266400	266925	926351	400559	419828	406268	319925	930132	892615	442376	372700	352101	360470	329413	319538	190999	439042	255269	513635	419739	447199	476943	740823	486166	437207	454743	778582	360915	380818	352138	264581	446246	40625	25905	35646	248942	184248	28912	512122	319975	429625	451059	558820	22018	1003981	539403	352194	514154	328503	204426	429058	234238	663025	678820	274141	706835	484459	364141	199649	282201	272705	398120	367611	432356	299637	479837	26667	305887	394998	198825	285283	186927	287468	232459	482073	384139	387754	410771	466602	270551	424820	513617	419689	188127	307967	34585	454964	466003	436087	480689	518710	677831	336127	397935	144861	320316	399505	30014	276202	774466	Phytochemical	0.42857143	1.2857143	0.0
8	C14 H18 O6	283.1176	283.118	0.12945877	283.11765	993522	1080188	764550	1014390	989044	371919	722740	907332	1247532	422276	581342	677598	1364502	515454	784310	560226	534827	1339692	1585694	1238852	1135266	1062144	890742	970614	522906	858200	705692	276009	942798	878250	761238	973064	1076718	799246	1155884	897014	1100616	732664	1210264	859104	425589	885010	27082	15542	26525	414682	388690	19271	1047634	825814	974566	1009664	934848	18818	1761254	1108358	710982	1006518	748130	770734	1007818	534844	1307150	1292992	559056	563575	816676	547025	444407	1053262	1213144	735766	835334	768148	792802	975458	15616	673914	1176934	435754	849934	635888	853348	629122	1147096	342112	1104742	351606	946182	552440	678030	972440	586929	332518	832930	29601	1026624	1065522	945134	1379024	674956	1143434	709030	1042278	206823	390830	1064966	15039	643280	1391822	Phytochemical	0.42857143	1.2857143	0.0
10	C14 H18 O6	283.1176	283.11804	0.08460874	283.11765	2124954	1835264	1823338	1767254	2188518	858956	1400998	1827880	2403526	1921848	1279354	626026	2873966	596896	1483146	1096428	1684826	3359080	3306088	2603706	2589390	1871720	1558016	1758232	577480	910000	1346936	614885	971694	1696338	1536476	1815932	2567380	1622518	2195606	846105	2395860	1390496	1978982	1833898	1746194	1665216	58323	24696	31225	1488326	1349360	27822	1965064	723178	988563	2023824	999659	28485	3641088	2255586	1151494	2342662	1467282	1407988	1119389	1107038	2424806	2626648	1024274	2499454	1610668	1909588	989226	2534398	2364280	710747	1473702	750938	1628344	1667878	23003	1132836	992331	484761	1536814	1123394	754267	575613	2277280	758879	2030320	736606	884710	1733860	1612472	905704	1910854	1303780	1803196	39719	1985386	2122818	1799070	2451766	2510962	2320400	1205890	2033348	489695	1499978	2066296	25215	579647	3002128	Phytochemical	0.42857143	1.2857143	0.0
6	C14 H18 O6	283.1176	283.1181	0.0665899	283.11765	203791	217733	185862	207428	173965	251950	316972	426814	238713	170821	123625	140383	481214	224518	358660	238282	199830	273520	287595	407252	468650	231018	187550	237835	218560	124181	143680	96308	203571	196865	185996	194628	514728	148984	205551	419282	216052	173813	260282	123751	345906	182121	20474	13318	22320	191593	199111	15612	462692	182351	208762	216172	183263	15632	340583	476136	148450	246059	339482	425146	225597	194808	259713	227584	207574	208773	166248	276403	170869	351680	236635	149575	327484	188978	254034	187657	13688	131445	205546	77600	185407	149992	179585	182282	457598	312486	231292	134344	179023	525740	249912	366194	252284	134108	164480	20509	392744	199438	341546	515268	600398	264755	322178	237354	135930	363962	220189	13517	129309	544356	Phytochemical	0.42857143	1.2857143	0.0
14	C13 H18 O5 N2	283.12885	283.1292	0.026758097	283.12885	154125	166965	136507	145106	105819	83060	144193	167438	88962	108588	92823	120592	102119	59620	121378	188749	193243	111220	106143	129074	116656	186103	123195	185465	124144	139105	133081	80647	133981	140337	130158	161624	183605	131496	132134	145613	183093	121239	215289	114375	121433	89955	4443	3652	3503	104060	114564	4859	167714	144598	129972	133631	108501	3517	100583	79201	85080	206343	110144	128140	173081	73888	95300	87418	58953	110966	100001	198153	129789	140392	188363	133047	124852	132552	150542	152793	3005	105810	154081	94492	145646	96971	126641	88405	100782	70205	159202	108604	115973	277489	185796	186268	240295	92699	102374	5530	137664	130192	82165	95453	99404	169897	123070	154192	62487	172344	81494	3745	145337	115267	Peptide	0.3846154	1.3846154	0.15384616
16	C13 H18 O5 N2	283.12885	283.1292	0.14575331	283.12888	15017	16003	13637	14279	10662	8389	13535	16292	10629	3218	4872	9981	11476	6718	14567	18126	18860	13256	13571	4297	1993	14330	13953	17042	15764	0	10119	9056	15150	12750	16554	15219	19128	15111	9850	14244	20837	12710	20076	3340	5334	11697	1713	1527	1433	7457	5590	1682	16782	13938	10329	10586	12225	1192	6548	5862	9941	26997	7539	7634	19724	3598	10086	6937	5463	10069	10139	17945	0	5179	1361	14373	12754	11969	8273	13035	1222	11100	12438	8464	11411	6780	8735	2918	5568	6607	19303	13378	10781	25108	28037	26586	0	8419	5738	1684	10068	8992	6856	7240	6838	22019	10162	6087	0	23000	8871	957	14677	18136	Peptide	0.3846154	1.3846154	0.15384616
26	C16 H19 O3 Na1	283.13046	283.13083	0.6443097	283.13065	4756	3420	3455	6711	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11311	0	0	0	141881	0	0	0	0	0	3148	0	0	0	0	2430	0	0	0	0	0	0	0	0	0	0	0	3540	3106	0	0	0	0	0	5523	0	0	5403	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	518035	4647	0	0	0	0	0	0	0	0	0	0	0	0	19714	0	0	5995	5445	0	0	0	0	0	0	0	2628	0	0	0	2449	Phytochemical	0.1875	1.1875	0.0
20	C18 H18 O3	283.13287	283.1332	0.12480767	283.1329	199619	224761	197526	173830	181008	140555	132438	210246	144208	248109	219672	136188	164626	134669	168167	235766	212387	195793	238816	302289	341762	210345	155146	221364	158547	533968	129070	212289	204411	175484	156501	188893	236093	186122	260121	176685	236688	124509	200535	244953	295577	156800	22579	10612	10001	157441	177346	10114	206343	174394	208374	218350	168449	13688	139235	119887	122219	230436	140690	168458	202798	155821	162131	126380	95261	193185	176840	199258	376308	425375	578567	177456	169874	169248	187426	186768	5390	129867	210723	179376	172252	116814	143394	206086	156985	134903	241122	190502	158615	295983	241724	240041	311265	185034	197432	24840	191373	210913	143725	153537	162508	225351	150347	213715	115016	219268	125960	9198	173037	163451	Phytochemical	0.16666667	1.0	0.0
16	C18 H18 O3	283.13287	283.13324	0.07669588	283.1329	122336	147018	115447	126500	100373	70611	109841	138546	89968	129819	100462	101129	83339	62072	111101	156634	173230	101924	130629	160233	165542	138757	123091	151604	104009	216528	103945	92708	119344	127649	128064	145203	147143	105402	149300	116350	133305	103180	179153	115243	160155	86052	7656	3041	3837	104058	117330	3891	153195	134799	127000	136368	92645	3171	95597	78442	78116	176409	91408	117706	142884	80322	99372	74932	67628	109735	100901	172168	193902	222952	276853	111573	111016	125237	146854	142107	2895	87024	154298	94464	123652	96588	113587	101760	107455	72127	154674	97547	112121	228502	127893	126343	171847	89142	112832	5214	126620	133722	79401	102458	121631	141591	101429	126425	52285	145801	84696	2958	128575	100718	Phytochemical	0.16666667	1.0	0.0
18	C18 H18 O3	283.13287	283.13324	0.11429409	283.1329	180438	203359	165755	152001	148218	121740	132926	182752	115226	201001	159096	118938	142425	101138	148088	232143	180055	164042	196769	245582	231032	174559	152711	209187	124473	386536	138903	158171	171791	157049	157387	181132	204912	164749	193941	160562	195752	130037	189903	189306	231636	123910	9682	2889	3545	134352	136611	4094	197264	147412	176792	192924	137459	3581	131203	111389	107852	210237	111637	142701	171687	119205	140931	112397	90677	148831	141719	205156	299664	330931	463680	140020	133603	139080	183111	196719	2512	116325	205343	143996	157325	118268	128905	144812	147045	116792	208726	151678	145001	249728	173168	167830	243504	132862	182598	6422	187076	177386	120232	130224	141625	188289	121505	167083	83853	157273	111293	3012	151630	140393	Phytochemical	0.16666667	1.0	0.0
22	C18 H18 O3	283.13287	283.1332	0.115424365	283.1329	169132	188781	151445	161187	176781	142897	90065	169870	135989	218003	232185	98135	127375	141268	134541	191923	136354	213585	192273	269137	275323	177086	133189	204588	129842	378734	81079	221950	183233	152635	151356	162345	183901	169100	235019	163686	193556	109783	139089	221774	263810	162336	56303	20808	20510	154148	154900	10212	178443	155219	169571	153847	163570	53611	120694	113532	111711	188381	112032	117610	200039	150002	144856	113697	90341	202057	198228	139601	300775	329298	404892	180255	139301	134330	107110	164251	7514	108933	142748	144309	118261	104752	116533	161781	130374	115798	153085	180173	159642	175908	174710	158375	206169	170052	205594	77215	148098	183177	151937	127036	133724	204542	121628	202943	114102	172027	111644	9808	121440	152922	Phytochemical	0.16666667	1.0	0.0
26	C15 H22 O3 S1	283.13623	283.13638	0.16258681	283.1363	2680	3511	1875	0	2826	0	0	0	0	3412	0	0	0	2315	0	0	0	0	0	5918	4715	5547	0	0	0	0	0	1849	0	0	0	0	0	2288	4881	0	0	0	0	3067	0	0	0	0	0	0	0	0	0	0	2474	0	0	0	0	0	0	2958	2848	0	0	0	0	0	0	2354	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2756	3380	2602	0	0	2531	0	0	11681	18763	20677	9413	4063	7815	0	0	0	0	0	0	0	0	0	0	2557	0	0	0	0	Organosulfur	0.2	1.4666667	0.0
6	C11 H22 O8	283.13873	283.1394	-0.14012608	283.1387	0	0	1918	0	0	1131	0	0	0	3258	10493	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9507	0	0	0	0	0	0	0	0	0	0	0	2513	0	2251	1937	0	0	3151	4556	0	0	0	0	0	1056	0	1281	0	2145	0	6763	0	7391	5316	2192	2774	3251	2753	4505	0	0	0	0	0	0	1758	0	0	0	936	0	18271	0	0	0	0	0	0	0	0	0	0	0	0	0	8133	2804	0	2613	2162	0	0	0	0	0	0	346712	0	0	0	0	0	Unclassified	0.72727275	2.0	0.0
10	C17 H18 O2 N2	283.1441	283.14456	0.14441785	283.14413	6768	3226	3452	0	825	0	0	4946	1161	9174	9882	0	2428	0	2482	2692	3271	0	1944	8476	10112	0	0	4114	0	13570	0	16130	3206	2734	0	1256	5254	3876	5324	1755	6462	1181	5006	6544	3334	2222	0	0	0	0	9478	0	5408	2294	0	4728	1141	0	1398	1580	0	4400	0	0	0	2146	0	1176	882	1152	0	4312	0	8928	9532	0	3332	1094	5950	1334	0	1273	1162	13122	2588	0	1139	6502	1146	0	1495	0	0	10322	41276	7700	7750	8034	12958	0	0	4570	0	1590	2125	0	1042	0	0	2598	0	0	3912	1338	Phytochemical	0.11764706	1.0588236	0.11764706
8	C17 H18 O2 N2	283.1441	283.14453	0.21234907	283.14417	1210	1486	2007	1530	1160	0	1245	1754	692	4919	5651	1670	0	1431	1313	3641	1694	0	0	4931	4286	1942	1473	5138	1781	6561	1219	6544	1719	2349	2063	2372	3072	1477	3531	2686	3544	1412	2253	2787	2108	0	0	0	0	2084	3390	0	2168	3780	1649	1699	972	0	1851	702	1030	2310	0	1024	0	1421	0	0	0	0	1413	3903	0	5109	4973	1443	3031	1901	1204	3133	0	1596	1591	9111	1269	593	0	4103	0	0	1591	1318	1134	6764	21901	0	5842	4875	11996	0	2182	1791	0	633	0	1747	926	0	0	3167	0	0	1581	0	Phytochemical	0.11764706	1.0588236	0.11764706
2	C22 H18	283.14813	283.14868	0.19397816	283.1482	13534	4036	4127	5092	3098	0	3130	5175	3415	3612	2725	8438	4506	1956	3738	2207	6724	3802	5638	4767	6367	7207	10076	5556	3098	1351	0	1481	12828	3114	4763	4662	7039	4763	4514	4523	6326	3246	6084	5125	6235	0	0	0	0	3825	3630	0	5656	8300	4295	4495	3673	0	3783	1612	4864	15542	2468	3317	2746	2551	4735	3282	0	5210	4151	8670	1552	4222	3162	4233	4530	3091	6556	3276	0	7950	4530	2553	2904	1872	1920	2209	6004	2268	4564	3636	3688	28500	8369	15095	11648	3380	1850	0	5675	5704	1882	2180	1809	5955	8104	4693	2938	14564	2116	0	4345	5384	Phytochemical	0.0	0.8181818	0.0
24	C15 H22 O5	283.154	283.15433	0.1305079	283.15402	94113	82670	74351	90785	86767	79536	115389	91532	88766	71125	40786	70549	126999	84973	100544	111470	83904	115639	143539	73411	56450	69530	87586	79156	77747	39744	95609	64404	103451	88557	81775	98476	136775	81250	76946	104311	132795	76117	88771	55647	36391	67645	20179	12186	25777	52058	33967	16284	109888	76586	87414	84004	83558	19123	131256	87551	56435	127282	61148	38494	110175	39305	113481	85422	61906	118356	89035	87154	31123	53759	37724	73960	83574	87968	74693	91241	18971	71711	82667	41743	72265	47164	95977	61788	87236	69281	93853	67111	90572	88570	121378	117455	120085	34109	49396	17412	83874	86844	61056	88443	99499	131954	71710	78006	50134	85408	70398	13378	75347	107745	Lipid	0.33333334	1.4666667	0.0
22	C15 H22 O5	283.154	283.15433	0.101046145	283.15402	226392	245031	213870	231841	279040	292651	273249	261453	273877	194946	104148	149361	272406	263506	263973	259059	189414	403987	322908	195435	172983	173244	206761	199351	271052	69983	224309	142532	371894	252638	258396	335196	395039	278134	194140	343312	420432	226281	201713	122981	79055	201141	33143	17182	16933	126335	89916	16886	340679	207295	243761	246610	265015	17263	415996	258954	183450	310839	176394	91029	295384	87375	294688	263653	160616	346757	304051	201474	50513	102588	78898	216073	239281	281401	160230	292077	16519	193432	213270	107662	160099	99923	237720	133098	244235	203142	252680	177204	244759	199290	330331	333445	268019	99770	142576	21137	210495	245386	181889	261347	279343	373343	203623	226097	122311	233029	221835	19560	201510	338889	Lipid	0.33333334	1.4666667	0.0
2	C11 H23 O1 N4 S1 Na1	283.1563	283.15677	-0.09087631	283.15628	1356	0	1034	654	358	0	0	2282	447	0	0	1035	0	325	1200	2188	2228	0	466	808	920	1389	894	2702	1582	0	0	9406	2237	2202	1014	1487	1783	1333	745	1432	2695	1109	1916	541	0	0	0	0	0	1007	795	0	1361	1916	854	950	605	0	310	239	0	1267	435	635	1236	0	0	278	0	0	0	2263	0	261	0	1495	1848	1326	1637	1726	0	707	978	21058	1190	0	0	0	0	731	565	0	0	2290	5592	2300	1927	1342	713	0	776	1141	0	0	252	1403	665	1519	270	1022	0	0	987	0	Organosulfur	0.09090909	2.090909	0.36363637
14	C14 H22 O4 N2	283.16522	283.16562	0.011416601	283.16522	34206	32000	35864	31794	20556	17881	21869	41163	11243	16339	12327	26638	13191	9985	19571	45806	45565	28799	18934	24607	20937	44908	18170	47191	33684	11129	23315	12800	37688	29206	35500	42036	45885	41323	30471	39495	58198	18103	39862	33087	25884	18964	0	0	0	27213	24954	0	52453	33154	33410	28863	22940	343	15424	5942	8781	57477	22231	27629	32262	12048	10903	12729	7177	18123	24191	45743	0	19524	21137	36686	36194	35773	26486	38383	0	25782	21978	22632	14432	17823	30130	19903	6504	9721	27243	24049	20851	60146	67977	61474	78739	13376	32507	0	30441	26732	6036	6341	4058	50099	26643	33413	0	58817	7646	0	31269	16497	Peptide	0.2857143	1.5714285	0.14285715
8	C14 H22 O4 N2	283.16522	283.16568	0.057413746	283.16525	44381	50442	47077	50249	27036	19950	35134	59607	24291	38032	21303	32847	26040	15776	35319	69297	47060	28378	47974	48289	43222	78917	36601	74116	36664	19344	37845	15832	49544	44046	52397	55268	67771	52797	51275	52439	65733	34375	58805	50847	49870	24461	6177	0	0	51043	50121	0	71662	51305	49952	50297	24552	0	31365	12066	18469	61331	20399	37830	61452	24203	25704	20265	13634	33398	25317	65227	17923	31806	33566	55672	49096	49509	42819	52870	0	29042	35531	27265	35096	30356	33533	34503	16024	13436	40064	29985	32243	91023	67857	75751	116020	34103	57917	439	51505	60117	13064	13531	11274	60388	30817	64420	14308	57471	20846	0	41848	35354	Peptide	0.2857143	1.5714285	0.14285715
16	C14 H22 O4 N2	283.16522	283.1656	-0.013391335	283.16522	8404	10542	10925	13187	7456	6019	8868	13602	6098	5228	2535	7620	6117	4636	8874	18240	14921	10491	9475	2949	3073	15735	7528	18358	8162	3833	6553	3972	14401	9184	11647	12893	15535	14483	4402	12055	14895	6519	17961	7578	8180	5488	394	0	0	7823	5680	0	17179	9349	12591	9808	7876	0	3928	2057	4070	21002	5893	9400	11104	3800	4783	3134	3645	8678	5516	14377	2910	3893	5824	9035	12205	11079	10828	11808	0	6440	8755	14056	5303	7465	7714	3744	2963	4153	13504	11430	10346	0	38668	27520	0	4611	8380	0	11483	9556	4034	2970	2547	15507	6808	10622	0	20060	5100	0	12855	8970	Peptide	0.2857143	1.5714285	0.14285715
18	C19 H22 O2	283.16925	283.1696	0.046531226	283.16928	123767	138291	128622	112871	93020	85598	169146	157391	73588	85078	75390	114045	74213	96525	114573	200904	295031	77815	100107	119148	98012	107376	125830	158591	112297	133388	160987	69423	144947	160328	133823	173303	159491	144525	82126	163278	140045	119235	300967	82213	116094	93509	4317	1495	1450	75989	94545	2019	170000	151392	134933	128869	93064	1901	98691	85683	75335	201857	70159	133394	154015	61637	79869	71170	68612	83689	99335	339574	111570	117806	205845	103481	105063	150204	256142	178061	950	86068	173628	94626	138909	76766	114195	66615	114181	100176	179457	100709	102236	266233	130655	111120	175195	63439	96632	2478	123778	117692	105820	150705	173534	173074	106297	122681	49084	132291	83058	1753	150896	53485	Phytochemical	0.10526316	1.1578947	0.0
26	C19 H22 O2	283.16925	283.16962	0.16478571	283.1693	106054	101327	97585	89280	104994	72177	66712	127476	91268	68819	117596	78627	93604	93380	94958	117803	105212	96956	132657	117244	115287	99101	71588	124526	106619	157005	71716	120357	133082	132819	111636	128338	131119	106746	98105	151496	129874	80205	119125	96986	113189	102931	5448	0	0	74792	59116	0	119067	112629	100052	105370	96562	0	92079	90065	65676	135372	71399	52564	124013	66242	86228	71537	63368	101916	121302	131054	116315	116196	125386	98085	106303	134347	83638	133124	0	76705	103828	108614	79504	68634	81013	91909	111125	69582	128561	77741	88871	126417	105023	92337	160545	104968	96825	0	104596	102637	120289	121429	142284	156377	76353	102527	68138	101853	94316	0	107302	72119	Phytochemical	0.10526316	1.1578947	0.0
28	C19 H22 O2	283.16925	283.16962	0.1620157	283.1693	19422	17873	13931	17812	20957	10050	15850	28788	13407	11734	11721	13779	18442	18942	16035	25870	21365	16083	23367	18306	14127	16023	17421	24188	18073	18195	12463	15250	24534	31742	25283	31378	30820	23230	18369	35273	25209	13352	20968	12551	11972	17890	2314	1695	0	15230	7258	2462	25075	23201	18481	18353	20825	0	15754	18607	11071	30078	12045	9126	25740	10103	14306	11432	8692	19300	19747	25295	14219	18676	18474	13816	22625	31602	16480	27075	0	14578	21325	14621	13926	9426	13993	10617	20310	11587	28115	13930	16616	25848	16413	18835	28708	10573	11429	1518	19604	19631	13669	26670	32749	34488	16739	20739	9785	26356	15757	1736	17176	11909	Phytochemical	0.10526316	1.1578947	0.0
22	C19 H22 O2	283.16925	283.1696	0.07923526	283.16928	281100	307860	233264	260587	240378	188078	233583	387488	180673	181636	203248	267654	159888	204491	249683	444936	468086	223378	230661	244946	247362	243499	240321	351879	263603	364449	224703	187649	408259	450011	331086	432034	374825	411691	191959	447370	381808	234656	441147	218630	252721	236420	49793	6500	5610	204015	193056	4516	407318	378191	261034	243815	233547	7904	186728	192113	174475	390966	171234	205662	392851	142660	183122	179372	143183	220633	252144	510477	296048	341084	408992	318052	320760	356586	394029	424412	4129	225214	287203	186770	225344	147247	184864	165287	221667	174527	313754	281956	265957	449582	271121	232696	369016	177308	239104	11510	253924	265502	255154	290301	267438	478468	239434	287004	138830	327343	183984	3538	284490	179613	Phytochemical	0.10526316	1.1578947	0.0
20	C19 H22 O2	283.16925	283.1696	0.09794253	283.16928	206491	222385	206145	191182	144959	118267	225885	251381	134048	138697	125184	194939	115430	147081	188870	313428	438450	128832	191143	177702	177746	185702	149155	237734	192930	248751	235406	119495	235320	246564	186573	253755	255570	215548	144623	247791	251399	176259	412242	148412	220887	144656	7407	2597	1608	128071	166153	3179	242179	239014	208118	201860	133770	3254	116657	140990	133111	273507	125573	190710	237317	89236	123561	111207	99537	145560	152508	449571	185687	214953	321798	176046	215052	236423	387498	279672	1469	157230	241162	159450	202874	103657	169191	135758	159810	148097	267389	165677	157312	381669	212993	173935	293019	123753	151842	3647	194243	201413	175668	229235	262818	304969	191657	216819	99038	229097	141209	2222	223809	120530	Phytochemical	0.10526316	1.1578947	0.0
24	C19 H22 O2	283.16925	283.1696	0.10779632	283.16928	258804	276177	219316	267096	240989	168869	201452	293439	185225	202201	231300	234467	219273	237381	241526	401347	541824	214761	303337	277893	268707	218855	224697	325331	233340	453220	190852	238426	302758	335025	251029	336404	323293	319127	216363	358377	319141	211352	507869	234772	284647	213664	12672	5069	5577	184206	185102	7490	325128	291421	243874	250554	227529	6670	191896	196479	158999	358984	164867	189494	346761	153673	173175	163371	165101	221979	246786	494187	334459	307358	422093	258111	277581	306676	310103	310090	6070	202122	298370	223999	243188	160866	177541	201267	230103	179732	334153	217994	231861	384336	229478	224557	355003	200872	236280	6729	243281	271415	253608	230034	281835	375454	199268	295430	136644	297305	212333	6730	291590	162414	Phytochemical	0.10526316	1.1578947	0.0
6	C16 H26 O2 S1	283.17264	283.17313	0.59316045	283.1728	0	0	0	0	0	6839	0	19288	7120	0	9832	0	7944	0	0	0	12848	8711	0	0	0	0	0	57200	0	0	0	0	18211	17564	0	23639	0	41338	0	27664	0	0	0	0	0	0	0	0	0	0	23156	0	0	0	0	0	0	0	8677	3358	0	23802	0	0	0	11281	0	0	0	8828	0	0	0	0	29256	16409	28460	55422	0	19527	0	0	0	0	0	0	6185	0	0	0	0	7477	9393	0	19673	17412	0	0	0	0	0	0	4114	4043	0	0	0	0	0	0	5343	0	12454	0	Organosulfur	0.125	1.625	0.0
8	C12 H26 O7	283.17514	283.17563	0.24408036	283.1752	4176724	4342453	4271453	4125274	975121	658374	1016947	3496271	1074727	7666587	7857660	414757	1457920	1285000	534479	3232040	876450	1104734	507326	7076687	3199853	4774442	473531	3496187	479998	0	1605135	14370679	1910418	1676793	1330915	2747099	952947	1678494	3131875	1565206	913495	376509	831555	10137092	3706788	1314785	4221294	222827	491792	13942960	10912115	365259	2939215	2212508	3537911	3943492	655136	905139	1165926	526358	960514	3237293	7590058	4866557	15297137	9435663	3009202	1324922	1053361	1712076	1305210	1428057	15904068	10525898	16376754	2309549	1277291	1396138	804736	1000355	454489	340117	1009217	16703577	466010	943187	939313	588551	582464	933161	357047	1450832	628575	1119568	8007575	4763712	1266833	3320477	6084647	342717	4292850	3704611	4358455	402418	868861	1407124	471319	13380826	62796980	650506	690844	347388	372564	1570635	Lipid	0.5833333	2.1666667	0.0
8	C13 H22 O3 N4	283.17645	283.17706	0.57998097	283.17664	0	5816	0	5503	0	0	0	0	0	38509	0	5360	0	0	1462	3674	0	14458	0	0	0	0	0	0	0	0	0	38316	14075	0	0	0	0	39256	0	0	0	1841	8980	0	0	0	0	0	0	0	0	0	0	64157	0	0	0	0	0	2533	0	0	0	0	0	0	0	3915	0	0	0	1341	0	0	0	0	0	877	0	9746	0	0	0	0	27342	0	0	0	0	0	0	0	0	0	49626	0	0	47222	0	1243	0	0	0	0	35798	0	0	0	0	0	0	0	0	0	Peptide	0.23076923	1.6923077	0.30769232
8	C16 H23 O1 N2 Na1	283.17807	283.17813	-0.36329347	283.17798	0	0	14978	0	0	0	0	2681	0	0	0	0	0	0	0	0	0	0	0	0	0	24980	0	0	0	7683	0	20153	0	0	2871	0	1351	5600	0	0	0	0	3724	0	0	642	0	0	0	6631	0	921	4828	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2462	0	0	0	0	0	0	0	0	0	0	0	1640	0	0	0	0	2075	907	0	0	0	0	0	0	0	0	0	0	6019	0	0	0	1223	0	0	0	0	0	0	0	0	0	0	2617	1064	0	Lipid	0.0625	1.4375	0.125
8	C14 H27 O4 Na1	283.188	283.18866	-0.017355366	283.188	0	886	0	0	0	0	0	1189	0	1801	3763	0	0	0	0	0	0	0	0	0	1072	0	0	0	0	0	0	4100	0	0	0	0	0	0	0	0	0	0	0	2456	0	0	0	0	0	0	0	0	0	0	0	1049	0	0	0	0	0	0	0	1439	0	4207	0	0	0	0	0	0	0	0	1943	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	873	0	0	0	0	0	0	4057	25082	0	0	0	0	0	Lipid	0.2857143	1.9285715	0.0
18	C16 H26 O4	283.1904	283.19073	0.062105957	283.1904	59867	60465	59142	57876	46691	53240	284625	54715	15953	18950	25451	32560	36846	123096	42789	79897	102812	34757	52124	25348	19423	35844	33342	54333	46605	86183	278018	46029	66327	57897	45855	56390	61234	58634	19516	61721	61220	39197	105552	11630	25159	52527	12734	2028	2532	25212	27821	2717	61922	45137	60790	62021	44596	4618	34276	40351	35790	85460	17134	28599	80999	9995	59518	20565	70767	67205	93527	105145	14463	13483	19784	37627	48723	81765	100498	54632	2363	25568	43077	117601	29310	40653	332699	319013	41222	44900	69154	43432	50375	142236	108236	80841	84660	23639	20828	3926	64239	61331	34085	48377	62868	66602	26693	30696	20825	66171	28506	2306	55646	28209	Lipid	0.25	1.625	0.0
26	C16 H26 O4	283.1904	283.19077	0.1552183	283.19043	31229	30001	34838	27630	38427	23764	107207	37358	20129	18908	30607	18780	29736	53121	67314	30276	20497	30009	32768	28757	35696	21459	23380	20769	59231	15638	88491	82103	40158	42668	27164	29631	40050	25623	23650	31860	32353	50355	26784	20094	18405	27606	14990	10278	24339	15324	15191	8593	33847	25086	31140	30553	30337	14200	38938	29847	29037	36394	31661	16006	38137	20875	35257	22588	35947	43754	54717	24084	11377	12248	12589	20134	26758	35943	20247	29806	15227	20608	25345	78151	17384	41214	56129	42364	23444	24939	39039	21921	23882	23909	126060	117008	29332	25883	21598	8534	37338	41536	22336	21327	32727	43523	19492	29416	66460	21992	25905	8498	57160	23790	Lipid	0.25	1.625	0.0
14	C16 H26 O4	283.1904	283.19077	0.056164693	283.1904	12050	13339	13501	10941	10690	7470	37842	13720	3074	3415	4753	5755	7489	18501	7267	17407	19087	7178	5434	4728	2969	6182	4841	6505	10868	12856	38977	10142	13746	14340	10721	18306	7803	10119	0	13504	6519	9772	25411	1910	3953	9249	0	844	967	3200	0	992	13949	11577	8641	9574	7437	1320	3213	8970	4519	20470	0	0	21395	1513	8736	3358	11124	9274	13400	29018	0	2260	4493	7355	12961	17637	23584	16232	692	4649	10130	0	6863	4679	60760	64485	11011	7861	15765	4885	6681	45340	9893	9786	21956	2826	4229	1142	14095	13490	3333	9426	15932	10647	5127	5436	0	12291	8351	1055	13551	2567	Lipid	0.25	1.625	0.0
16	C16 H26 O4	283.1904	283.19073	0.05178958	283.1904	21638	26534	22752	22493	17475	25349	108418	21848	10189	6350	6911	12538	21438	55326	21927	41769	68310	13366	13866	7044	5069	11436	12910	20533	25467	34758	90396	10860	25085	25872	20280	24692	21689	20614	5783	29433	19265	17477	61432	4806	9139	23748	4138	1251	1854	6070	9394	1693	24715	23790	30521	21934	15861	2336	12218	17858	18490	38584	4825	12605	27550	3826	23498	8751	29981	17422	31261	63262	5897	8851	7319	16964	24741	36868	45136	22501	1491	13543	23075	34627	11769	13194	160900	133623	21645	23263	37910	12590	19843	75554	31143	21203	0	7720	10022	1692	25619	24386	12682	30358	43802	25327	10605	11625	0	25324	22218	869	23209	13695	Lipid	0.25	1.625	0.0
24	C16 H26 O4	283.1904	283.1907	0.08425034	283.1904	141217	125164	140517	141862	235976	143949	406792	95391	87571	116470	114788	53059	172210	397223	98136	109684	130861	164303	184365	126635	99691	86482	60558	70292	99962	60674	326616	308259	121946	89656	83145	117584	138546	102882	107320	131965	148016	84831	118174	76097	78464	120572	50329	13569	26188	91516	105845	15191	121899	75213	145541	130519	174847	46229	111980	85116	89756	135937	104139	70965	124417	63820	269339	90601	149723	348783	411131	121051	29980	36140	49828	76306	92994	111996	86860	95618	59886	66734	58058	523073	40525	187342	235089	225059	94346	94578	93285	85131	131691	122469	639175	463307	135058	123134	110170	22346	144079	158786	93265	70486	91224	149287	50646	141705	257233	105156	111339	13953	77393	122408	Lipid	0.25	1.625	0.0
4	C15 H26 O3 N2	283.20163	283.20215	0.039853487	283.20163	8915	8016	8341	8222	3343	3516	5256	10526	2791	5658	2326	4160	3864	3528	7036	12665	11429	5049	5212	8377	7348	13903	4644	11308	9934	3567	6369	0	7232	5952	8055	8309	10492	7642	9423	8296	10943	4578	10708	7195	4526	3603	0	0	0	5257	4389	0	10315	8685	6962	5913	3752	0	4095	1522	2181	15082	386	0	12775	2280	2840	2655	0	4891	5412	12205	2377	7355	5539	5890	5861	6885	9248	5758	0	5497	8039	3640	5766	1154	1879	3753	1379	2394	11522	4913	5110	21748	20392	10663	25505	4566	7908	0	7285	7982	1543	932	1735	9412	3478	8784	0	11926	2012	0	9077	4507	Peptide	0.2	1.7333333	0.13333334
14	C15 H26 O3 N2	283.20163	283.20193	0.002480237	283.20163	0	1717	1755	0	0	0	0	1848	0	0	0	0	0	0	0	4390	3047	0	1548	0	0	0	0	0	1830	0	0	0	0	1451	0	0	1511	1282	0	0	1752	0	3841	0	0	1937	0	0	0	0	0	0	0	1424	0	2517	0	0	0	0	0	4786	0	0	0	0	0	0	0	0	0	6113	0	0	0	0	1810	0	1898	0	0	0	0	0	0	0	0	0	0	0	3997	1940	1815	15024	23774	5845	7728	0	0	0	2501	0	0	0	0	2567	1110	0	0	4541	1586	0	1346	0	Peptide	0.2	1.7333333	0.13333334
10	C15 H26 O3 N2	283.20163	283.20203	0.06812576	283.20163	6735	4681	4185	3803	17249	9826	3847	5588	3420	3442	1466	4394	5141	21874	1978	6616	5566	11839	11927	4041	3013	4671	3150	5790	4692	1794	4523	0	4143	3718	5076	7463	7880	4379	4647	5059	7437	2893	5839	2539	2744	9751	0	0	0	3288	2487	0	7254	4415	7417	5063	14338	0	4077	5626	5707	8920	0	0	0	0	1072	2614	6117	6590	10225	8144	0	3442	3281	4221	3904	4269	5310	4789	0	2836	1539	0	2597	0	0	2078	3413	2186	4534	4476	4541	15534	14355	1869	13617	1222	2401	0	4122	3257	2548	794	1909	4075	2829	3180	0	5777	9172	0	5855	2473	Peptide	0.2	1.7333333	0.13333334
6	C15 H26 O3 N2	283.20163	283.2021	0.012669783	283.20163	18034	22617	20077	21076	3902	3371	28512	10915	2785	6682	2060	5455	4490	4804	7883	23654	6692	8320	6675	8525	10525	184639	6795	13780	56067	2493	27297	0	9495	7551	9129	11741	14109	9296	9806	9842	13847	6936	9087	8983	2991	3397	0	0	0	9816	3381	0	17459	6755	22229	21367	6493	0	3932	1446	4797	47636	0	0	19706	2416	2372	2001	2389	4262	6286	14348	1953	11284	6849	9768	10686	5462	9111	6344	0	5322	19016	6243	6503	2254	2943	3558	915	7100	23913	5484	6764	107352	19829	14991	844130	3633	9530	0	15811	16969	1198	0	1629	11932	5977	9428	0	209149	868	0	28618	3305	Peptide	0.2	1.7333333	0.13333334
18	C20 H26 O1	283.20563	283.20596	0.07058209	283.20566	6117	6892	5745	6375	2669	0	8098	7292	1305	0	1630	4306	1558	1905	3379	14952	24457	0	1925	0	0	5181	6543	8687	11360	3659	9940	2751	3936	6371	3938	8472	5594	0	0	4713	0	4539	23671	1404	3433	0	0	0	0	1969	5152	0	5474	7426	4198	6359	3174	0	1903	4057	4349	11334	0	8020	7724	0	0	0	4731	0	2290	29193	2988	2929	5195	1445	1520	5776	20862	5135	0	4237	12196	5876	12870	2831	3909	0	5881	3370	18962	1241	2363	46828	4521	4321	16960	4047	2618	0	5122	3397	2665	8966	6464	4714	6540	2956	2345	5205	3279	0	15333	0	Phytochemical	0.05	1.3	0.0
24	C20 H26 O1	283.20563	283.20596	0.08099955	283.20566	78555	88133	73052	78869	47700	25214	67644	107243	36851	37612	40313	67868	32574	53615	84686	179143	206485	30899	60283	46840	47383	73298	83345	95628	107636	62276	74383	45192	85134	86857	56396	253238	76366	165891	45713	314170	72604	72964	198501	34677	53616	34868	0	0	0	42660	49824	0	82821	98222	74876	85112	44435	0	46982	46927	37414	158301	34855	61878	128627	24753	35765	32422	32053	37262	47358	207170	48455	46137	77837	40541	68484	84486	523426	88666	0	56891	125059	81503	88261	38299	52796	37603	54683	48010	173306	45385	53093	371531	104496	89156	217551	53558	61101	0	78665	78197	46198	64315	76282	112877	57644	63280	32343	100831	46855	0	146422	28319	Phytochemical	0.05	1.3	0.0
22	C20 H26 O1	283.20563	283.20596	0.060574196	283.20566	41074	43886	40739	42745	21738	17029	47122	60299	20165	22330	23090	38251	10077	24719	47437	89869	143791	14070	20571	16142	18724	45354	39026	51399	73151	42735	54281	21177	40789	42740	32043	68283	41129	45380	20004	68062	36424	50841	135876	20278	34042	18039	0	0	0	20473	40112	0	35810	48456	40376	40151	26586	605	22738	26278	24107	81367	20133	39024	66410	11749	15103	17004	25070	18038	27233	142796	23635	26321	41479	15963	27090	42814	139421	50465	0	26971	80967	44511	51071	27072	34187	21984	40246	33465	98185	30601	30221	269153	50946	48168	97274	27637	32965	0	38359	49421	28805	43489	40277	50634	40385	33687	23035	58147	32237	0	87379	12324	Phytochemical	0.05	1.3	0.0
28	C20 H26 O1	283.20563	283.206	0.08662136	283.20566	14775	16080	13047	14862	13167	7003	16411	24897	12610	4760	7949	13512	10252	14591	17167	23399	31148	9271	15608	7321	9261	15097	16419	17513	25019	17656	17751	14749	19217	27013	16405	35432	19583	19778	7388	56039	16217	18587	28685	5646	6419	14959	2429	1723	0	8981	6673	2425	16481	25188	16510	15110	11024	0	13017	23580	12314	31069	10988	9441	20936	7545	6895	9437	8202	14348	13972	40879	14098	7653	10300	8369	12341	22568	43067	19276	3231	12531	20710	19872	12444	6685	11520	7485	16131	12331	42716	9466	11254	45052	18718	16208	30334	17852	9762	2267	14090	16179	19488	28258	39366	25167	13437	14948	9315	22471	17678	2525	21159	6614	Phytochemical	0.05	1.3	0.0
20	C20 H26 O1	283.20563	283.206	0.08888039	283.20566	17226	18317	19587	18568	12301	3748	22513	20079	9361	3573	8606	17372	2468	8398	20879	30671	68905	5532	10922	8108	7681	12089	14891	25247	25229	8978	29960	6193	12377	16922	10427	17394	14599	39266	4136	24855	11221	22066	62136	5979	13938	7701	0	0	0	6946	19232	0	17063	18245	17249	20415	5749	0	8796	8032	10733	42529	8214	15613	21738	5768	7838	6822	13491	7159	7527	58659	8619	7750	11149	10419	15654	16381	55512	17893	0	11934	38033	18313	27348	7329	16730	6967	17671	14049	50321	9334	12294	129699	21373	22108	54617	10069	14516	0	16046	18878	10427	18616	23954	17914	13225	9933	7211	21333	12331	0	37266	5201	Phytochemical	0.05	1.3	0.0
26	C20 H26 O1	283.20563	283.20602	0.13290295	283.2057	70382	67771	62957	57100	44326	21945	46214	109261	35418	23993	51688	52348	43711	42275	72795	143026	151970	28914	47652	34740	33822	76394	70291	94312	97230	96069	56287	68374	77796	99037	61096	123777	70340	77413	33739	168875	64003	82652	158578	38496	52971	55206	0	0	0	40989	36140	0	70072	95751	64326	61041	41291	0	41351	49160	39121	157516	38729	44307	128219	20934	24445	31347	25050	37019	55269	193514	82307	57172	67343	44128	55529	83747	161119	75661	0	48499	104700	84144	68713	43840	50774	41641	50597	36856	162488	40744	36735	225632	87937	76066	174474	54989	55259	0	67936	68917	43877	69202	74960	107659	48099	62485	32131	85804	43059	0	122677	25635	Phytochemical	0.05	1.3	0.0
20	C17 H30 O3	283.22678	283.22696	-0.00386135	283.22678	3187	2106	4290	0	1500	0	37251	0	0	0	0	0	0	17358	0	0	2415	0	0	0	0	0	0	0	0	5591	39436	7855	0	0	0	2737	0	0	0	0	0	0	1651	0	0	8138	953	0	496	0	0	549	1679	2403	2526	2858	1128	1646	0	1136	2495	0	0	1030	0	0	1769	0	8203	2835	5619	2431	0	0	0	0	0	0	3473	0	493	0	0	90614	0	1210	36240	40506	1319	2852	1738	15174	1642	3495	43826	30058	0	7742	0	611	2974	0	1883	4790	12994	0	0	0	0	0	1478	710	0	0	Lipid	0.1764706	1.7647059	0.0
24	C17 H30 O3	283.22678	283.22708	0.07412848	283.2268	76675	79784	89618	90955	27671	125288	878172	48032	13483	42593	78770	18003	21351	705623	46041	41754	45344	18478	62146	31944	18938	27409	14483	24505	38752	116833	872587	264758	46757	42627	33368	43668	43604	32034	24547	44365	28710	53779	55258	30206	64276	173034	48324	7705	13394	49616	75891	9430	76196	62836	78458	73245	19746	71204	12507	72659	97002	52940	19085	84592	131237	24419	202719	8718	470987	51458	137146	58075	37814	48731	67750	22639	25068	37504	27874	53154	21813	13868	18013	597948	16517	108394	219155	274051	14683	25787	34150	41420	83717	45721	489553	352950	41746	79750	51154	17966	77843	96476	108500	7470	17683	29957	16896	108429	52910	25286	17328	8950	33946	106871	Lipid	0.1764706	1.7647059	0.0
22	C17 H30 O3	283.22678	283.2271	0.10349503	283.2268	12316	16176	15790	14801	4908	20302	304389	8311	0	4433	7844	3096	0	84851	7287	10558	14050	0	3971	2986	2215	3646	1311	2367	7001	49902	325093	46760	6084	7414	3877	10870	6254	10072	3513	9100	4775	8904	14244	2662	6959	23499	7749	0	1980	5544	8031	0	13504	16458	16220	15158	5463	11233	0	11852	17850	14089	2985	14280	14825	2604	18232	0	73123	11338	24166	12819	5314	6726	8533	5742	6371	8128	10260	9604	2404	0	1497	188444	2288	13175	97281	154924	3561	9660	12716	20052	9821	15065	93026	56118	3983	19168	9155	5275	16634	19511	14606	4383	12971	5352	4141	9437	4972	9668	7858	0	4805	8993	Lipid	0.1764706	1.7647059	0.0
26	C17 H30 O3	283.22678	283.22714	0.11919887	283.2268	61179	54078	70257	61110	24675	43905	285612	51095	32569	29043	82455	21088	19048	207752	131611	39246	41102	21935	28022	35345	32153	32545	21050	18851	57674	80156	266896	269727	58062	48677	36793	37749	38196	27803	36601	54677	25605	109791	42436	31539	49927	59997	48375	21110	35308	57561	55552	20148	61719	46983	64450	55701	23398	56220	23895	41453	53564	41959	38003	51061	57377	42636	46815	20647	175899	40524	64985	39990	40085	61973	40638	19438	18753	40000	23731	44216	44131	20514	29323	460263	23489	103480	92212	94712	34809	74667	47697	28549	35909	34810	363195	300394	38052	63562	71523	19839	62268	68098	181031	21699	52017	37037	22644	76412	92522	40564	51997	23224	82213	34053	Lipid	0.1764706	1.7647059	0.0
24	C18 H34 O2	283.26315	283.26346	0.093147464	283.26318	13654	16633	13652	14738	2845	10259	310617	2350	1254	2944	19053	3557	0	318572	3241	1606	4426	1625	5527	2920	5876	2809	1827	2419	2550	38130	269948	22938	1675	1251	2196	1246	1189	1277	0	2980	1157	4100	9363	2282	12958	4607	10614	4705	5272	7769	10656	3444	2022	3737	14409	13124	2017	6541	0	27935	16816	2766	3499	17585	23262	10330	80856	898	400527	0	15883	7087	16098	12492	12754	788	1259	2351	1475	2458	0	3255	1846	25999	3248	21532	38277	56227	2295	0	3860	3680	5461	3164	22916	12857	2525	7406	6535	3932	12400	16514	39973	1090	6230	2565	1903	17285	8987	0	4140	4764	3550	11962	Lipid	0.11111111	1.8888888	0.0
26	C18 H34 O2	283.26315	283.2635	0.07205278	283.26318	19368	15823	15923	16831	8678	14261	217840	11305	11542	9345	25748	11798	7347	73497	13746	7471	15023	6203	8845	9852	7771	13091	12626	10035	13094	41780	203594	39516	10084	10736	9041	11146	8534	9546	6827	12210	9965	18637	25739	9312	36130	11977	24703	21926	26672	12755	22067	18388	11331	11963	18428	17070	10139	25380	9047	21712	16083	10423	11474	32658	17946	15083	21587	11713	108265	4610	11451	22427	27137	13505	14029	10481	10102	17183	13962	12847	30752	11685	9813	42985	14744	19974	34232	55756	10016	14874	15152	11926	12572	13587	21725	19618	10345	15769	12668	19035	20194	18733	22670	9432	11287	11099	12563	16726	18483	12538	8281	20751	17405	9046	Lipid	0.11111111	1.8888888	0.0
14	C12 H13 O5 N1 S1	284.05872	284.05914	0.16506939	284.05878	12782	10537	9324	12209	18400	11434	4984	3603	7972	13644	8186	4173	16751	5809	4486	11139	5702	23258	12954	9301	9811	27918	4834	5570	6652	3023	4642	0	4543	3499	4593	6834	5703	5720	17760	6152	15526	3291	5316	23847	22787	8624	0	0	0	6980	15774	0	9065	2431	10826	11628	14679	0	11436	9836	5144	15961	7154	15248	0	18386	11765	9348	4158	13043	5843	8605	0	7100	9419	4792	2482	2510	4124	3718	0	3572	4907	17655	1955	9149	12250	15276	5975	5160	10859	12166	11026	15330	32452	32425	19618	24800	32808	0	15409	7915	4740	9533	6989	9218	2542	13910	0	11265	8601	0	7771	18809	Organosulfur	0.41666666	1.0833334	0.083333336
10	C12 H13 O5 N1 S1	284.05872	284.05917	0.21575806	284.05878	5778	8119	8966	6628	12873	8104	2732	4161	8315	10633	8214	3713	14856	3848	4160	6527	4795	13889	8213	11132	14912	20576	3722	5351	4516	6117	3443	6013	2157	1072	2293	2646	5881	2960	15720	0	5351	2820	5848	18433	30396	4431	0	0	0	10752	13134	0	3504	1992	5936	10553	6834	0	9047	5648	2173	5763	6914	12746	0	15582	8140	8093	2522	10541	2902	6483	7132	9030	11385	1520	1453	0	2261	3740	0	2331	4575	10663	2241	9349	7233	8117	8780	3786	6671	5138	5227	8679	17095	23241	9868	26375	27446	0	7963	10098	7168	9971	8889	5002	2603	9247	0	4947	8240	0	3353	15570	Organosulfur	0.41666666	1.0833334	0.083333336
12	C12 H13 O5 N1 S1	284.05872	284.05914	0.15568803	284.05878	9242	12948	11098	9854	16745	10186	5065	5275	9792	17198	10348	3737	11530	5291	4497	10031	6382	17314	15145	12483	13104	23397	5167	12249	6048	3105	5177	8368	7510	3733	5130	6173	12378	4267	20267	4316	8233	3722	5919	19618	33875	6096	0	0	0	10157	19674	0	10234	3915	11024	14774	8273	0	11902	7802	3071	11835	11863	8891	0	20172	9884	7850	3326	12621	9123	8084	0	7202	14796	3929	4330	2446	5293	3969	0	3156	5153	0	4041	9170	8113	11746	10855	5362	8504	7880	8975	13739	26487	30789	16287	26602	33356	0	11700	8104	9198	10345	9536	12339	4194	13741	0	12531	8434	0	4985	18922	Organosulfur	0.41666666	1.0833334	0.083333336
16	C12 H13 O5 N1 S1	284.05872	284.0591	0.1785898	284.05878	6032	7597	6935	5091	11506	6570	1992	2842	6811	7553	3762	1365	8705	2774	2460	6594	3799	13258	7065	4899	4974	8068	1374	4565	4451	1916	2502	3842	2012	2627	2590	0	9069	1801	8163	2003	6316	2769	3200	7928	13272	3798	0	0	0	5501	4756	0	3647	1751	4721	8171	7931	0	2850	5430	2116	10785	2936	5078	7345	6926	3041	3816	1678	8180	5516	2519	0	2540	1518	1977	2703	0	1913	1536	0	2043	1848	11475	1290	5203	5918	5929	3559	4616	4896	5962	4770	0	20638	20384	0	11490	12330	0	4658	4865	2691	5194	4116	5394	1365	5467	0	0	5512	0	3594	10105	Organosulfur	0.41666666	1.0833334	0.083333336
6	C12 H13 O7 N1	284.07648	284.07697	0.13856007	284.0765	41316	43943	38924	45746	72066	35296	13524	24155	79435	37684	38651	23388	118103	19598	17718	35711	36908	106879	94159	26772	54160	50016	24958	28201	8423	3190	15416	10194	21542	20019	21624	26003	44171	25092	43683	19937	39795	19269	45834	26136	59120	45560	899	280	471	18485	30850	392	30407	20674	38076	43574	62338	558	102969	70295	34501	35049	16297	32422	31823	26588	146578	98413	30837	91385	50617	51865	14110	10067	18051	22086	22413	16882	25071	20083	377	16060	19862	13520	16199	10684	11698	7126	62506	30770	26436	59771	57644	51585	16100	27542	46328	29278	25929	490	40666	40036	48108	73965	79574	46716	19526	27579	11741	35573	60480	407	12168	201425	Phytochemical	0.5833333	1.0833334	0.083333336
18	C12 H13 O7 N1	284.07648	284.07684	0.13487856	284.0765	4214	4416	4911	6613	9465	8286	3255	6011	11778	0	1364	6205	11868	7663	5583	7896	6032	13573	12915	0	0	8041	8243	7767	3003	0	5720	0	4100	2294	3150	4563	8270	0	0	3696	9492	8151	5224	0	1821	5861	837	795	1561	0	1795	1648	6327	4107	7443	5735	15031	960	16542	6390	6166	10758	1624	3072	5031	0	12518	16464	7354	14512	6748	5420	0	0	0	4473	4271	3642	3737	0	886	6673	8076	1612	6209	0	0	0	11085	5802	12090	13625	9687	9408	6014	3020	9980	2981	0	1128	5122	5090	9667	6797	6434	8022	5281	3217	0	6424	6741	1463	7417	21105	Phytochemical	0.5833333	1.0833334	0.083333336
2	C12 H13 O7 N1	284.07648	284.07703	0.1573508	284.07654	3691	4282	3150	3771	9664	0	1479	3200	9698	1848	1229	3452	18441	4064	2222	575	2024	10897	8220	2060	4156	4672	3278	2908	1110	598	0	941	3849	2432	3119	2619	5965	2424	3282	2342	4074	1291	2518	1882	2513	5556	212	0	522	1951	1133	435	3557	2140	3764	3771	6853	310	8520	6080	3818	3863	1705	1539	1388	919	20565	10744	2897	13861	5736	2982	1238	1118	1557	2537	3499	1251	0	3224	0	1971	2524	0	2170	1686	1014	1092	5540	2674	2297	7992	6663	3079	1744	1350	4877	1528	0	477	3171	3307	4349	8205	7330	3613	2282	1584	1429	4226	4305	0	1910	25620	Phytochemical	0.5833333	1.0833334	0.083333336
16	C12 H13 O7 N1	284.07648	284.07684	0.1262413	284.0765	9550	11551	10925	10722	20360	19619	6367	12332	23937	5020	5886	10792	28506	16411	18411	12679	17581	37230	29369	0	0	9975	13393	15920	12401	0	7203	3081	8088	5643	10007	8995	21066	10841	2742	8758	16843	15477	13040	4971	4420	15997	1377	923	1101	3023	2914	1189	10846	8358	12171	9175	23897	967	20771	11042	14017	12639	5260	4602	7950	0	26198	25659	12822	26090	23566	10900	0	0	0	9206	7588	5439	8448	5965	1462	10558	14887	6803	8911	2283	3152	0	16678	15588	14271	19264	24599	0	5901	7287	0	6472	2575	1158	12149	6239	11400	12536	18543	16399	10612	3937	0	20102	15253	1480	10891	51135	Phytochemical	0.5833333	1.0833334	0.083333336
14	C12 H13 O7 N1	284.07648	284.07687	0.14268596	284.0765	43706	44136	44047	44967	83269	58052	19326	42387	83887	10549	25230	36488	113655	34914	40877	48413	43250	141951	101348	7231	13088	58409	54248	50186	23434	0	17851	7285	25693	23475	30032	32458	63208	30323	20402	27619	50024	37015	38543	9904	17301	47422	0	754	1356	16279	10442	1059	32185	24885	45955	38308	74063	924	94646	39796	39254	65046	11526	17098	38520	9765	126682	85798	31680	104952	58347	39697	0	4227	3644	32094	24696	23493	32297	26993	830	30337	40717	0	33508	6218	6559	2812	50029	28958	45695	71618	72404	92269	20821	25606	94745	21176	13723	1230	42944	42100	38635	43883	41746	53308	36030	18139	0	63130	41458	714	26393	167658	Phytochemical	0.5833333	1.0833334	0.083333336
6	C16 H13 O4 N1	284.09174	284.09222	0.16470136	284.09177	7539	7854	6980	6672	6368	6033	4118	8590	8269	14256	14365	3765	5366	4392	5593	9567	6142	10755	12954	14363	20914	6787	6723	8120	4698	9468	3783	7543	5390	6092	5760	6245	7901	5391	13598	6341	9719	4935	8971	7264	9750	6757	0	0	0	6323	11495	267	8236	5183	7298	7086	7449	254	7761	5707	4045	8013	819	5572	10441	3047	6139	5655	4334	7268	6232	10166	17644	17459	26047	4678	3958	2123	3282	4738	203	3678	8310	4457	6929	3429	1810	3995	5819	3119	7272	9025	6686	14914	3904	3271	11247	7534	14578	455	8332	8180	7107	4334	6299	9194	3731	4903	0	8709	5300	0	5826	6975	Phytochemical	0.25	0.8125	0.0625
16	C16 H13 O4 N1	284.09174	284.09213	0.15081114	284.09177	15116	16426	17205	21285	15440	7245	6475	8908	8997	30034	38707	6061	8496	9153	7662	15184	16601	11919	14929	25517	35691	30904	6693	16122	9053	60552	8245	31908	8338	5046	7438	6441	13505	7230	34700	8806	14733	8019	18306	30375	65408	12299	991	527	628	17948	35380	901	7584	7212	21551	18627	10222	907	9251	7258	7332	13957	7661	21981	13714	18295	21836	8079	7001	11098	14188	12903	56198	46103	90884	7728	5863	3867	6034	8079	322	6465	16552	48202	11262	14843	7941	27901	9301	6965	19526	14696	13201	52784	18825	25475	0	39270	55760	836	18932	15363	10843	8301	11562	14628	5055	12168	11713	12329	6879	727	12907	13566	Phytochemical	0.25	0.8125	0.0625
8	C16 H13 O4 N1	284.09174	284.09222	0.23612167	284.0918	12727	15296	10249	15338	11272	6864	6173	11910	10534	22760	22714	8048	8308	4320	8424	17455	15651	11321	13442	21756	26148	17013	9792	13363	6687	18058	8780	12476	9587	11109	8015	12011	14747	9872	22817	9709	13605	8375	19140	14714	22644	10983	555	319	344	14619	18033	441	14612	11833	13707	14541	9858	310	11409	7473	6611	16523	1280	9671	16507	8658	7078	8594	5686	10951	9799	18648	21231	28023	38013	11736	10291	6322	12242	10903	293	7339	13859	13758	10509	6248	4001	9526	9742	4825	11908	10378	11050	37246	0	0	25309	20271	18108	491	15797	12909	11196	8365	11950	13042	6422	8088	0	13534	7640	0	10609	9469	Phytochemical	0.25	0.8125	0.0625
10	C16 H13 O4 N1	284.09174	284.09216	0.1624238	284.09177	20949	19634	14140	19211	18199	9904	10511	12896	16602	24737	26634	11886	13228	6902	11514	23708	19971	19897	23406	23197	34787	14632	15454	18869	9021	24045	8889	16634	10464	11853	12422	11947	20828	15148	29063	11333	20093	12283	22927	17868	31239	17397	0	0	419	14408	19175	464	18341	12201	21408	20224	15949	0	17725	8823	10216	19869	0	12899	22242	10496	15019	11788	6805	16255	16304	23494	23577	28557	45462	11418	10860	7158	15328	12641	0	7483	20617	15333	15304	7724	3864	11708	13917	7501	16147	17704	16154	37050	10852	7780	34086	18368	23679	469	17071	17625	13431	12443	13203	18486	9943	12207	0	20759	10289	0	13418	18818	Phytochemical	0.25	0.8125	0.0625
14	C16 H13 O4 N1	284.09174	284.09213	0.123667166	284.09177	13281	19763	16304	23317	12842	12652	4556	13956	8937	32692	37311	9667	15539	7947	9098	16818	15740	13897	18838	22651	36627	27292	11142	15863	12298	52971	7786	25586	6491	8402	7162	9170	17192	8421	31240	9389	12869	8420	24209	26583	54701	13866	0	0	274	16087	26742	0	11035	9826	16937	14864	14522	667	16080	8670	7159	18587	0	14645	22929	19719	14821	13630	9337	15519	16884	22372	40255	55441	79696	13119	7996	5793	8642	8418	378	6538	19126	35452	15749	15131	9107	25645	12035	6093	17408	13411	11345	39172	19787	19835	31250	42988	45132	554	19046	14092	10936	11183	7608	14964	8704	9242	0	15987	7588	422	13662	9003	Phytochemical	0.25	0.8125	0.0625
12	C16 H13 O4 N1	284.09174	284.09216	0.16659707	284.0918	16818	23538	17173	12611	17196	12141	7611	13635	21114	34866	27587	8199	13455	8487	10081	19029	19110	28283	33053	27921	39958	27526	17022	14915	9536	41068	8194	17663	9030	9761	9534	10789	21624	12180	30708	9111	13959	8231	20268	33062	49126	13194	584	409	344	15292	26457	648	11045	11482	19967	15192	15742	313	24126	10309	12163	16964	0	15900	0	17965	22053	14004	9894	19455	13301	20617	36154	50044	68265	9599	8729	4278	11719	9866	262	7786	20175	24707	14168	11660	8872	14382	17402	9588	24463	15394	13855	35954	15235	14088	36898	26387	28406	617	15302	20688	13751	13864	13676	13447	6016	7355	0	16534	13149	0	13576	23486	Phytochemical	0.25	0.8125	0.0625
20	C16 H13 O4 N1	284.09174	284.0921	0.16506761	284.09177	6104	10782	10122	6258	5520	3689	3482	3070	5114	10705	16840	4553	1979	3676	1706	12762	4617	4338	5350	7821	10252	17168	2957	8056	4071	13568	5024	14728	3675	4977	4175	3620	5512	4277	9436	2432	5663	3791	5921	17134	30291	5132	778	665	476	8407	15320	480	4208	2926	4742	4954	5415	451	0	2685	2726	10398	3039	11127	7555	7051	4751	3417	2579	5849	5545	9052	10809	8504	25368	3962	3386	1472	4533	5500	576	2202	10108	22122	5095	6536	5591	13598	3111	3848	8140	7609	4073	16365	9302	7555	6948	16745	15643	934	6952	6403	3268	3669	4023	4949	3102	7605	4765	4074	3476	681	5672	3649	Phytochemical	0.25	0.8125	0.0625
18	C16 H13 O4 N1	284.09174	284.0921	0.15710267	284.09177	11036	14757	11718	15437	10982	7942	6825	8120	6934	24543	27394	6646	4989	7710	6641	13282	13933	10692	14533	22140	30093	20679	4223	15771	6888	37165	5103	24865	5951	6751	9137	7314	11018	6802	23157	6726	14697	4872	16010	25477	52362	11088	1227	385	559	13231	18753	789	8216	6925	13580	14201	10020	698	5673	5492	6247	14433	3380	17356	11865	16594	7976	7077	6114	13783	11617	17993	38059	34404	67238	10414	5308	3475	6858	7052	735	4454	12243	39472	10216	10362	8786	22087	8409	5540	16159	15882	9970	26181	13778	15486	19732	30626	31490	532	12467	12943	5356	7181	8138	13825	8552	13190	7383	15157	3123	502	13501	9207	Phytochemical	0.25	0.8125	0.0625
6	C9 H17 O9 N1	284.0976	284.09808	0.029538421	284.09763	0	775	1010	1171	63565	5726	0	0	681	0	0	0	8345	40195	0	0	0	6457	4455	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6379	0	0	0	0	0	0	0	0	925	0	24989	0	0	1216	664	0	0	0	0	0	1131	1241	0	4072	4682	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2157	0	0	1445	0	0	0	0	0	0	0	0	0	1683	1193	880	1233	0	0	0	0	0	7759	0	0	2721	A-Sugar	1.0	1.8888888	0.11111111
2	C18 H14 O1 N1 Na1	284.10458	284.10547	0.78195816	284.1048	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1368	0	0	0	0	0	0	0	0	0	1386	3356	0	1956	0	1832	0	3040	0	0	617	0	0	0	0	0	0	0	0	0	759	1021	0	0	0	0	0	0	0	0	0	0	596	0	0	0	0	0	2660	0	0	0	0	0	4294	26819	1016	2082	0	0	376	0	0	0	0	0	0	0	0	0	947	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.055555556	0.7777778	0.055555556
2	C13 H17 O6 N1	284.11285	284.11343	0.1192571	284.11288	42299	44672	33661	40061	66955	53914	17747	39590	60434	41418	38274	28921	118843	28119	21341	11330	32444	174028	73657	37414	72187	66011	27826	31456	10504	8647	6625	15604	45506	25322	39690	35822	71141	42832	58615	33872	48878	16943	34062	53414	43342	44158	1924	1432	2458	23644	22812	1834	40407	20628	37642	41827	60650	2164	137734	56570	26611	48096	21990	24580	16249	20994	252114	152150	22468	189980	56723	40485	17001	23524	23397	39745	47946	31802	7925	37563	2298	21797	19358	13097	16910	13397	15077	13239	77044	22675	18428	56427	56255	38500	26379	40621	52133	29589	13600	3658	39619	40723	37667	63019	52642	34843	24266	33242	18274	44004	32089	2028	13735	301808	Phytochemical	0.46153846	1.3076923	0.07692308
6	C13 H17 O6 N1	284.11285	284.11334	0.062401325	284.11288	275317	293751	253385	291900	218511	149802	155706	231873	283283	319268	225119	182632	299641	91867	156465	278399	331687	406660	374706	332575	433434	330289	167948	225966	92381	109955	155877	139259	305011	255629	228181	317004	365589	298308	374832	296108	344301	151882	443952	229364	413874	222944	4750	1666	2847	232939	315769	1760	383269	211945	280110	279744	231890	3304	380216	214178	138764	252970	212947	302388	248762	206077	344107	253556	115331	270907	217617	453697	189258	206429	281548	214371	296543	251751	236118	264088	1726	144441	137550	104464	117412	154343	172711	147160	194930	152258	162025	256711	279974	292338	144579	249682	304972	239359	279118	3442	254669	265040	163053	184686	207142	357353	172560	298368	160092	224728	213447	1917	112390	453059	Phytochemical	0.46153846	1.3076923	0.07692308
14	C13 H17 O6 N1	284.11285	284.11328	0.12799309	284.1129	163354	173590	146038	167473	156352	150525	151079	166251	161884	127614	78308	117125	224337	87810	159550	189280	161384	284484	237526	121817	135105	209322	137041	157025	140319	42449	133694	68822	151908	146468	145323	182841	219586	184735	142909	158861	240498	127729	180727	146973	140784	144852	6245	4138	4400	99973	98427	4270	191796	123031	168392	150612	169539	3532	226852	114127	112530	227245	117862	114678	206825	96145	163828	177564	77467	204908	139486	168417	60799	72758	81829	154521	162422	156524	147617	153124	3506	119742	135880	102161	109398	73042	103228	81006	129544	114268	151924	180534	184782	227488	173617	220714	285510	97295	130779	4713	172774	150189	110078	107173	123784	218272	123386	166627	53344	210969	133336	3585	134426	208818	Phytochemical	0.46153846	1.3076923	0.07692308
4	C13 H17 O6 N1	284.11285	284.11337	0.06296016	284.11288	71269	82906	69630	71756	82577	51795	29674	67333	88949	76989	68154	45760	127455	36730	41762	63244	92837	239078	224772	87099	110116	117834	50731	65233	24828	29993	35795	29380	58579	53596	58768	55764	84913	51142	107732	58212	82731	39226	110279	80929	112239	72790	2931	1712	3172	72655	94964	2377	69196	59288	74037	66136	75931	2564	235360	135780	48452	70366	65966	84691	68146	57215	284190	207040	40356	87468	54335	96079	50876	43092	51180	49615	51547	62674	33846	57455	1760	40240	43947	29720	37734	41568	44656	32863	87625	107832	40249	67279	78168	148566	43943	65230	97101	59059	73852	4886	67916	78519	69560	106542	103059	83540	44379	91894	55092	65127	79828	2199	32020	163668	Phytochemical	0.46153846	1.3076923	0.07692308
16	C13 H17 O6 N1	284.11285	284.11325	0.16801067	284.1129	54871	53838	51615	59796	62584	55579	52985	60513	56849	30366	31456	42970	76899	38032	65176	65230	69271	102474	81471	35123	35890	59299	59885	71837	55504	11065	44514	24087	60617	54456	64639	67439	91748	56176	35524	63461	87403	47997	76852	34867	41818	53445	4988	3879	6445	28727	27874	4132	69544	50713	49441	52531	61151	4251	59791	42404	41918	82678	40736	39143	72640	25589	61406	54393	39714	69133	62207	65870	17376	17375	20993	51014	56493	58802	63223	56882	4714	43113	45853	47589	39758	23752	35130	22284	51223	49529	65052	60129	60751	64465	51515	59013	90739	34016	40521	5398	50328	60594	35327	35104	44700	83570	37021	45043	14340	68634	46320	3830	52122	79349	Phytochemical	0.46153846	1.3076923	0.07692308
0	C13 H17 O6 N1	284.11285	284.11343	0.07525002	284.11288	8079	10321	7595	9580	15523	0	3010	11373	9924	8369	3552	4528	21569	8662	4174	2451	3224	21525	17024	8782	17180	14169	6523	8651	3971	2940	1591	4053	13033	5788	7862	11139	18109	10819	14034	13945	14582	2888	4331	11980	5771	15774	0	1764	3151	8309	3289	1463	10935	5503	9885	8359	12068	1706	12442	13564	4057	12616	4357	2701	5491	3384	22394	15020	3688	18468	16329	5396	4007	6350	4037	9274	13209	8567	0	10971	1944	4646	3419	2885	2945	3456	2404	2253	6352	4337	3457	9018	14439	3405	7968	10947	12648	3806	3616	2028	7091	10607	5801	7587	9289	11150	3831	8343	3928	11952	7999	1273	2656	35204	Phytochemical	0.46153846	1.3076923	0.07692308
4	C12 H17 O5 N3	284.12408	284.1246	0.07256028	284.1241	32097	31376	30437	29200	25687	19712	17829	31972	36031	19635	17192	23957	41764	13121	27680	37661	56464	49798	48675	23194	25481	47479	33565	39805	17826	4185	15285	10892	23476	20762	27074	27221	38011	22320	30138	25607	36429	28724	67682	20983	31661	28102	0	0	0	24304	36128	0	29496	30671	34900	28815	27812	0	44723	26690	24565	34013	31638	38669	37817	18244	42281	32801	25760	37083	25750	52052	11081	7842	11393	25023	21822	24794	19766	20089	0	20128	30232	19704	27146	16065	17525	7466	37586	29194	28876	33767	30755	66721	28783	36422	77014	18223	17958	0	28722	36601	28224	30560	26451	41368	23050	33562	20525	43439	31636	0	25076	54344	Peptide	0.41666666	1.4166666	0.25
8	C12 H17 O5 N3	284.12408	284.12457	0.22294903	284.12415	20898	18316	17884	24214	17432	12824	15912	22486	17179	10547	9569	17161	15762	7400	20516	36425	28593	18553	26155	10044	10254	37173	22316	34029	18569	2219	15656	10179	23100	17806	19019	23318	27815	20451	15698	20875	27613	20518	35691	13094	15331	13538	0	0	0	17266	16951	0	25622	18389	20056	21115	14945	0	24430	7816	13093	32532	19316	15864	23970	9758	16126	13045	11756	18868	14929	36241	0	5339	3852	20292	18627	17028	18051	20322	0	16011	23571	10105	17256	10844	14399	5370	13094	10449	21786	18236	15625	54652	16984	26247	55499	10790	12691	0	21383	20735	9707	9311	8037	26513	13289	20881	0	30186	15335	0	17696	20466	Peptide	0.41666666	1.4166666	0.25
10	C12 H17 O5 N3	284.12408	284.12448	-0.040084343	284.12408	9845	10575	10011	10312	8317	4711	10379	15775	4422	5061	3305	7702	6932	2679	8924	16112	13834	8071	12576	5604	4349	13664	14644	19203	13354	0	8536	5903	9361	8583	9580	10937	13046	11566	3550	12129	15018	10186	13833	4124	6006	7220	0	0	0	7030	4370	0	15244	10912	9915	10241	7549	331	11258	3985	4608	19950	6592	7949	13024	2478	7800	6450	4766	10071	8364	13849	0	5095	2463	12667	11116	7074	9101	9607	0	8512	13281	0	9549	4293	6236	1151	6223	4625	13063	9439	9444	24512	24636	22034	31161	5795	4570	0	10859	9755	2942	3641	4300	17893	8658	7285	0	14348	8012	0	14026	6515	Peptide	0.41666666	1.4166666	0.25
18	C17 H17 O3 N1	284.1281	284.12848	0.1311159	284.12814	11301	14977	9240	12728	3583	6152	6905	6668	2354	23516	40172	5704	4546	4108	6916	8840	8421	5552	5434	29591	33540	15152	4496	11853	5241	80974	5822	36778	4964	2906	4765	6189	8268	7956	26254	7456	7537	2721	13026	28368	53061	6497	805	0	0	12520	25479	386	8590	6864	12314	12995	5508	379	1886	3321	2268	13758	4316	15670	7619	17366	3686	2416	1612	4632	6664	10107	67916	60471	105177	7639	4999	2478	6016	6532	315	4293	8861	34170	6354	12959	9905	26946	3764	2695	8141	9493	6450	21830	17412	14256	15697	23804	25180	471	13363	7573	2051	3503	2722	11347	2729	7415	7152	9534	3615	0	8070	3782	Phytochemical	0.1764706	1.0	0.05882353
22	C17 H17 O3 N1	284.1281	284.12845	0.19404711	284.12817	4834	4642	3168	5502	2642	0	0	2961	2293	11064	21062	2401	0	0	1268	3318	3262	2556	0	10399	10652	6247	1681	2849	3142	25511	1233	23852	2981	1344	4020	6382	2556	2248	10650	3269	2722	2070	1924	13135	30108	2687	0	0	0	3992	8825	0	2762	1907	7583	3046	2723	503	0	0	1239	3253	1997	5323	2969	9396	0	0	1347	3066	5418	4686	23957	14240	32006	2295	1113	1484	1147	1292	421	1903	1338	15024	1668	4128	2506	13749	1758	1576	2934	2050	3515	6232	5982	7307	4360	13812	10540	0	6796	4619	2164	2841	0	5192	0	4159	3120	2396	3213	0	3444	2009	Phytochemical	0.1764706	1.0	0.05882353
16	C17 H17 O3 N1	284.1281	284.1285	0.15258254	284.12817	11605	13204	10476	12056	4215	5044	4307	5498	1910	26832	30003	3129	3644	7510	3977	9386	9026	4273	5741	24491	29400	12600	3779	12276	3705	73176	7787	30516	5625	5211	6007	5549	7198	6629	25056	4215	7809	2097	9660	26760	40616	5031	652	0	0	14150	23379	0	6296	6544	10215	10471	5454	0	5137	1383	3467	11402	1341	11327	7592	13454	3379	3133	2034	4022	6317	12109	56580	65602	90307	5117	2749	4510	7396	7256	0	4237	7557	27441	2652	11021	6858	27135	3436	1911	7904	5252	4540	0	11275	9798	0	23510	23851	0	14044	8583	3803	2943	2099	6895	2984	3483	5686	0	2366	0	6947	0	Phytochemical	0.1764706	1.0	0.05882353
2	C17 H17 O3 N1	284.1281	284.12863	0.035491362	284.12814	2521	2020	2429	1579	657	0	2433	2864	671	2635	1687	1685	413	1298	1658	2328	3955	1107	1266	2666	3597	1268	2281	1797	2792	5720	1783	1900	2399	1451	1885	1323	2252	1253	2209	2259	1928	1656	4041	1818	1573	0	0	0	0	1195	1702	0	1741	1896	1965	2561	1012	0	590	441	1618	1853	0	363	2107	1126	635	732	0	861	1499	4021	3210	5128	5369	2280	1378	1037	3179	2437	0	1909	3079	3054	1223	1049	596	1655	329	1823	4390	2139	1637	22671	2061	1345	10394	1300	2060	0	2207	1692	750	509	510	2280	1759	1465	1001	3953	589	0	3796	785	Phytochemical	0.1764706	1.0	0.05882353
12	C17 H17 O3 N1	284.1281	284.12854	0.13456129	284.12814	8001	10389	9409	10061	4711	2955	4535	6316	3829	29185	34326	4154	0	3952	4136	9525	4044	2539	3278	35585	37023	5940	3676	7138	4043	49723	5228	24386	3182	2639	5211	4764	6126	4865	29973	4421	5237	1927	8607	17972	28095	5393	342	0	0	7135	11001	0	7043	6993	9149	7608	4154	0	2837	2207	2172	8003	0	0	0	6635	4264	2394	2269	4060	4580	8028	30294	49192	73239	2431	2432	1823	5122	4911	0	1818	4914	0	4077	4386	2945	13822	2551	1891	5553	3958	4936	18904	9361	4298	12602	12014	20392	0	7602	7791	2473	1307	3043	8858	3241	4663	0	8290	1054	0	5727	3202	Phytochemical	0.1764706	1.0	0.05882353
14	C17 H17 O3 N1	284.1281	284.1285	0.13323547	284.12814	8882	10990	12666	8623	5527	4322	4433	6648	3746	22474	30490	4741	1664	2349	3911	5473	6130	4335	5238	31772	31623	9644	2246	8054	3808	56744	5616	18271	4766	2969	4810	6767	10559	5139	19843	4503	7188	2643	8855	20157	29788	4482	0	0	289	9338	14535	0	7327	3261	8192	6369	5092	0	1485	1058	3094	7756	0	7580	0	8179	3944	3861	1981	3525	5810	11308	44922	57646	74738	3722	2649	1506	6203	5431	249	1941	6733	0	4511	5151	5530	16591	2940	0	6364	4759	5458	22934	9577	8265	10649	15824	22166	0	10450	7528	3859	2537	2912	0	7476	4968	0	6980	2464	0	7602	6108	Phytochemical	0.1764706	1.0	0.05882353
4	C17 H17 O3 N1	284.1281	284.12863	0.069904834	284.12814	5582	4293	4495	3717	3026	2803	3157	5416	2657	8366	6939	2811	2728	4314	3107	5429	5006	4043	4844	9740	11635	6784	3306	5652	4004	20069	3095	9713	4978	3570	3806	3158	4002	3631	9547	3581	4743	3109	4395	6638	5997	3283	714	0	245	5687	7455	0	3559	4143	4925	4264	3668	203	2584	1650	2085	4400	0	1075	5137	3319	2270	1710	1848	3468	3164	5950	12245	18062	22951	5127	2937	2957	3342	3162	0	2479	4378	7990	3375	1853	1614	6065	1876	2853	4624	3068	2136	18069	7181	2450	7701	5277	11183	0	4444	5952	3106	2478	1626	4306	2735	3713	0	4052	1768	0	3420	3083	Phytochemical	0.1764706	1.0	0.05882353
10	C17 H17 O3 N1	284.1281	284.12854	0.1187735	284.12814	9258	11382	11126	9767	5307	4724	4234	6596	4125	42263	43558	3354	3529	4904	5284	8494	7738	3632	9489	44852	42726	9682	4272	7971	6093	59157	6248	41736	5806	5444	5771	5941	9483	7606	32003	6102	6755	3898	7653	17713	22376	5980	0	0	0	9397	14727	0	6902	5808	11493	10862	6206	0	3780	2440	2751	9056	0	5115	10549	8243	4524	3071	2693	4905	6361	10428	41387	60344	64959	4838	6220	2558	4949	4837	0	4239	6726	12689	5270	2037	2715	17987	4580	3300	6327	4932	4791	17130	9540	2725	14085	10896	25315	0	9260	8876	3372	1376	1868	11270	4167	4484	0	9270	2354	0	5180	4910	Phytochemical	0.1764706	1.0	0.05882353
6	C17 H17 O3 N1	284.1281	284.12857	0.03363517	284.12814	10680	12588	12317	13473	8352	7636	5258	10110	7794	30139	20783	4963	4215	6541	5942	14242	9317	9545	13162	32548	32648	9155	6330	12804	7363	52137	5827	22831	8079	6034	8059	7958	15501	7479	29996	7106	9672	5917	12044	13071	14548	9153	0	0	0	10840	17177	0	9835	8721	10922	10397	8077	0	6206	3583	3443	15926	780	2527	14038	6106	5708	3912	4208	6144	12194	16955	31401	51583	66536	10751	6703	4351	8122	6079	0	4672	8784	14704	6040	2064	1881	12650	3670	2623	11136	8420	7949	22920	14457	4056	16944	13492	27783	0	11457	10557	3863	3986	3594	13573	5468	8852	0	12031	3741	0	6997	8639	Phytochemical	0.1764706	1.0	0.05882353
20	C17 H17 O3 N1	284.1281	284.12848	0.20036864	284.12817	12316	12479	8392	11523	5623	3211	3410	6148	3908	28981	48838	4818	5977	6046	3799	13438	9191	3722	4361	26855	41964	18515	3182	9690	3432	84294	5019	51454	3864	6210	3611	5706	7875	5421	21721	5558	5140	3137	6046	28457	66468	3603	795	0	367	13778	19376	701	5651	4317	12119	10822	2670	508	0	3495	2966	8025	3537	14565	6151	20558	4297	5270	2687	9805	5693	8123	74276	55299	98644	3148	4632	4409	4793	3785	384	3628	3895	37716	3481	9996	7829	34468	3816	2949	8143	9214	7110	14605	16116	16535	16194	35110	26216	529	13498	14816	5217	2286	3029	6541	5961	13410	10791	7386	2715	0	5753	3736	Phytochemical	0.1764706	1.0	0.05882353
2	C16 H17 O2 N3	284.13934	284.13992	0.25609607	284.13943	2698	3333	2333	2623	560	0	3355	10498	0	1819	1075	3912	630	0	10305	6602	3401	0	1020	1915	2476	1546	6874	12713	22543	1081	0	2278	8761	4459	7049	4575	7620	4637	988	5428	5538	3524	3798	1321	1439	0	0	0	0	2457	1623	0	7488	6159	3067	2394	1371	0	378	482	612	9476	267	665	7747	736	0	538	0	0	3375	5146	754	1890	1793	6036	3755	3467	1720	3691	0	4437	2591	0	1966	0	647	1857	0	875	1879	3303	3163	5057	1889	2106	45835	1298	1318	0	3725	4240	0	0	0	5492	4868	1261	800	15141	0	0	3772	0	Peptide	0.125	1.0625	0.1875
14	C16 H17 O2 N3	284.13934	284.1397	0.2593959	284.13943	0	2900	2444	2752	0	0	0	1435	0	0	0	1320	0	0	2342	2201	3888	0	0	0	0	0	1259	4040	2014	2006	1149	0	1777	3644	0	0	1904	0	0	0	2100	0	2624	0	0	0	0	0	0	0	0	0	2960	2535	3316	2555	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4871	0	1917	2366	1574	0	0	1963	0	0	1066	3710	0	1504	0	0	0	0	0	4657	2150	0	11292	33336	24991	5324	4830	3075	0	0	0	0	1026	0	0	1933	0	0	3046	0	0	2030	0	Peptide	0.125	1.0625	0.1875
6	C16 H17 O2 N3	284.13934	284.13986	0.24036299	284.13943	4966	5554	4872	3660	0	1267	6886	9713	476	2167	2799	6383	645	623	4539	16881	12916	0	0	2133	3428	0	5436	9595	9056	1075	3165	3399	9778	8593	8925	10053	12330	14070	3354	7442	8811	7413	14915	0	2086	3953	0	0	0	0	1814	0	13905	10981	5152	5603	2232	0	557	0	1628	13074	0	869	12102	0	588	0	1845	1295	4064	15443	0	0	0	9517	6599	5290	12491	8394	0	5324	6706	4371	6494	610	894	1287	0	1357	5631	6411	4137	19929	0	0	22089	2189	2975	0	5015	4546	357	0	0	14436	6076	3088	0	16761	0	0	8522	1122	Peptide	0.125	1.0625	0.1875
20	C14 H21 O5 N1	284.14926	284.1496	0.104317844	284.1493	14696	17136	12271	11426	21021	19980	12560	17337	11196	6360	5631	13935	31812	20811	16890	19857	22362	30151	19294	12050	5761	8207	16059	17438	16683	5939	13238	6887	21331	18265	16004	20331	20091	15238	5960	17427	29538	13008	22987	7812	11755	24334	3887	5489	4700	7850	12979	4675	17458	12174	15582	13755	22156	3895	21519	21886	16228	16178	9686	11759	22450	5275	16254	22135	15900	20788	23348	22180	4516	2214	5335	17266	18828	13782	21669	16064	4562	10591	16424	8958	9889	5656	11927	0	16023	19022	14575	22556	16113	19996	18628	16865	20983	6100	12127	5631	11633	23562	14597	15326	24145	26621	15793	19187	8039	14974	22120	5696	14655	21306	Lipid	0.35714287	1.5	0.071428575
18	C14 H21 O5 N1	284.14926	284.1496	0.085628524	284.14926	76500	65712	75444	73554	73221	72106	58342	81327	47900	59080	46495	50982	89138	55634	69222	92228	84652	113023	113804	90958	79142	67410	68541	131710	95204	28994	51222	44151	90175	70870	75038	82202	129773	88914	63598	85475	133374	47310	80144	57579	52620	84456	6042	3030	4129	65641	49062	3764	93113	55034	63079	71311	85941	4357	88514	67020	54676	98246	76271	52789	81031	44234	53024	57793	37889	80804	75415	73950	32440	29920	33079	66625	54463	75449	69657	65009	3487	54805	63247	48098	48886	44594	69551	40890	64097	68716	89733	112043	82905	65913	101217	108445	116741	39552	67186	4405	70930	81910	54341	54029	73646	125784	49449	90273	37730	100407	62949	3570	60797	75873	Lipid	0.35714287	1.5	0.071428575
10	C13 H21 O4 N3	284.1605	284.16086	-0.03810094	284.16046	8918	11973	10096	10972	5775	5371	6281	13059	5305	3908	3276	7857	4622	4195	5948	16545	14191	5787	6559	5010	2578	16196	8193	16678	10262	1506	8222	23482	10166	8822	8344	13462	11761	9902	4056	9218	13613	7750	17529	3527	4753	4312	0	0	0	6627	5313	0	10612	8695	9549	6458	4522	0	6353	2732	3625	17120	4138	6494	14728	2448	3998	2979	2866	6910	5665	20264	0	3186	2306	11429	7626	8222	15458	7206	0	5384	12652	21017	10525	4024	7433	2378	6655	2693	15065	6000	4878	36607	39621	18685	30161	8385	5831	0	10294	9492	2538	2735	4010	9635	6677	8772	0	12999	4517	0	13377	6192	Peptide	0.30769232	1.6153846	0.23076923
12	C13 H21 O4 N3	284.1605	284.16077	-0.117324166	284.16046	0	3799	3777	4550	2565	2702	2527	3466	1991	0	0	4311	0	1054	2726	5390	7933	3914	6723	0	0	5550	4321	6663	4822	0	2472	0	6166	2081	2433	4505	4029	5007	1406	4146	3261	4400	5769	0	0	3613	0	0	0	0	0	0	7399	2200	4687	4329	1474	0	1601	0	4661	5606	0	0	0	0	1420	1294	13034	1929	2989	7319	0	0	0	3675	2584	2188	3194	3642	0	2923	4327	0	4249	2341	2575	2046	1812	1273	7480	3342	3109	13435	27355	8432	7905	2898	1611	0	4753	3715	1270	0	1671	2578	3116	0	0	5578	1440	0	6292	1779	Peptide	0.30769232	1.6153846	0.23076923
10	C18 H21 O2 N1	284.16452	284.1649	-0.018094651	284.1645	6952	7390	7093	6931	1182	3523	2306	14559	0	14486	11111	4377	0	1887	4776	9632	3838	2372	2064	24521	16040	1859	5013	10456	48172	27185	5955	14515	11348	7679	12767	10408	15925	11108	9917	6354	24288	3859	3563	6739	2453	5438	0	0	0	3570	3700	0	14126	8049	8797	9778	3251	0	0	0	2137	18510	0	0	17636	0	0	0	1026	1759	7257	7143	13752	24586	20852	9678	9240	4257	2648	8150	0	6690	2300	0	2176	0	0	6583	0	0	2878	7862	6439	16046	19693	0	223390	4741	13954	0	6921	7521	0	0	0	12247	5523	2889	0	46531	0	0	2920	0	Phytochemical	0.11111111	1.1666666	0.055555556
14	C18 H21 O2 N1	284.16452	284.16483	0.036676213	284.16452	1883	2179	3294	2579	0	1266	0	3424	0	8819	7971	2399	0	2555	1357	3319	3111	0	0	13097	16264	0	0	0	2676	23496	2588	10373	2703	2352	2580	0	2391	2262	5880	3433	2945	2563	3471	5057	0	0	0	0	0	0	0	0	2445	1157	2554	1933	1239	0	0	0	0	2539	0	0	0	0	0	0	0	0	2214	3493	0	14169	21218	2925	1965	2322	2931	1771	0	3044	1375	0	0	0	0	5937	0	0	1979	1755	1985	9654	0	0	7850	0	3247	0	3194	2518	0	0	0	0	1521	0	0	2580	0	0	0	0	Phytochemical	0.11111111	1.1666666	0.055555556
18	C18 H21 O2 N1	284.16452	284.1648	0.11423164	284.16455	0	1801	0	2577	0	0	0	0	0	4849	6379	0	0	0	0	2436	3298	0	0	9508	6478	2086	0	1363	0	25776	1398	5573	0	0	0	0	3166	0	5749	0	0	0	2061	6029	12285	1298	0	0	0	0	4730	0	0	0	2890	2674	0	0	0	0	0	0	0	2086	0	2634	0	0	901	0	0	3181	13130	15779	26678	0	0	0	1865	0	0	0	0	3684	0	2169	1593	4916	0	0	0	0	0	5300	3070	2815	5652	4201	4660	0	0	0	0	0	0	1482	1922	0	0	0	0	0	1451	0	Phytochemical	0.11111111	1.1666666	0.055555556
22	C18 H21 O2 N1	284.16452	284.1649	0.08855846	284.16452	1647	0	0	3671	0	2122	1110	2638	0	3802	6895	1165	0	0	0	2174	2693	0	0	1928	3421	1784	0	3815	1204	34847	0	6576	1674	2400	1815	0	1226	2510	2094	2728	0	0	2769	6208	14841	1900	0	0	0	4221	11393	0	1685	4279	3797	3153	0	259	0	0	1562	2411	2040	4432	1878	4309	0	0	0	2173	2770	2669	24723	10944	26486	1273	1551	2420	1151	1845	0	962	0	5754	0	6160	2353	9080	0	0	0	1391	1171	4090	0	2889	2450	6674	4105	0	1972	2977	0	0	1636	2586	1750	4354	3946	3497	0	0	2908	0	Phytochemical	0.11111111	1.1666666	0.055555556
20	C18 H21 O2 N1	284.16452	284.16483	0.13172477	284.16455	3632	3723	4172	5199	0	1611	0	2045	0	4302	8813	2304	0	1513	0	2677	4095	0	1950	3599	8180	2806	0	1823	0	45855	1211	8020	1562	3211	0	1871	2103	2281	3969	0	3811	0	3353	10344	19248	2304	0	0	0	3126	7857	0	1980	1600	2479	4008	1440	0	0	0	0	2459	1556	7868	3116	5025	0	0	1188	0	1485	4328	32056	28615	38011	2968	3378	0	2094	1766	0	1058	0	12110	1189	3900	1442	9847	0	0	0	2145	1742	7799	2741	3416	0	3946	7185	0	3845	1983	1532	0	0	2174	0	4482	2946	0	1768	0	1221	0	Phytochemical	0.11111111	1.1666666	0.055555556
12	C18 H21 O2 N1	284.16452	284.16483	-0.07070532	284.1645	5055	5029	6434	4696	945	1894	2312	3336	0	14945	14798	2918	0	2984	1723	7855	7260	0	2153	24269	21700	0	1344	2559	5350	25870	4285	15305	9649	5289	4651	9011	9487	8141	12268	7239	7496	2663	6874	6811	0	4914	0	0	0	2106	5020	0	5686	3027	5947	7279	1769	0	0	0	1280	7380	0	0	0	0	0	0	1125	0	4550	17019	0	19924	23782	5713	4415	3619	8460	5646	0	2118	2087	0	1899	0	0	6200	0	0	2365	5272	4707	21914	5473	0	9346	0	10042	0	4531	5387	0	0	0	5553	2663	0	0	7012	0	0	2798	0	Phytochemical	0.11111111	1.1666666	0.055555556
24	C18 H21 O2 N1	284.16452	284.16476	0.13793102	284.16455	1121	1158	943	1328	1203	823	0	0	1119	0	1301	0	0	1872	0	2105	0	0	0	1426	0	2770	0	0	2082	4983	0	1212	0	2082	1373	1009	0	1212	0	1915	0	0	1563	1232	3966	0	0	0	0	0	2185	0	977	0	1360	1904	0	0	0	0	0	2783	1027	1371	0	0	0	0	0	0	1482	1565	5918	2761	3474	0	0	1725	1253	0	0	1233	18960	2643	1179	1127	0	2953	0	0	12493	1329	0	32616	0	0	5489	2265	2100	0	1917	0	0	0	0	2023	1197	0	1687	2625	0	0	2174	0	Phytochemical	0.11111111	1.1666666	0.055555556
12	C15 H25 O4 N1	284.18564	284.18604	0.036455955	284.18564	23104	22574	32296	27150	32909	23044	21218	31526	19050	31882	18717	14657	31607	20612	16458	32847	42821	38416	38608	61333	66515	39741	18251	23615	24703	43846	15796	16789	35053	21777	26351	25878	32973	26715	49348	27741	33173	15765	47552	30432	28915	20726	887	365	583	28076	30184	513	28448	18416	28947	24683	27128	560	23286	24511	13684	35773	7026	19470	21364	21395	26256	20501	12098	32474	21750	43564	29769	55010	55594	23867	24250	22640	38458	22154	233	17291	27998	28434	21496	21850	15835	24324	32926	20453	41084	17195	21150	85453	52846	44626	55408	31975	34794	547	24232	38040	17158	26255	40984	29329	16989	24058	0	29764	23461	445	25355	29172	Lipid	0.26666668	1.6666666	0.06666667
22	C15 H25 O4 N1	284.18564	284.18597	0.1107241	284.18567	41696	34855	32559	38414	72294	33253	35118	40908	30454	18862	19431	33978	49851	36841	41149	65349	71355	57575	57990	32861	32274	28720	43477	29407	37921	0	32992	20199	54771	44141	35359	45428	52198	55022	13508	50520	48849	32341	51366	11318	18063	39508	3377	0	1815	29152	36611	0	44973	35188	34920	32220	54648	3544	46825	48543	33392	67074	18235	28889	66292	6521	32107	31385	29157	55507	51733	55827	6333	3172	5782	34639	42557	41120	40744	42407	1100	25875	41466	43434	27249	21162	22465	7113	70498	36941	70356	59407	39244	91950	64551	59726	55073	27058	40543	0	29914	44802	40305	75631	87833	72013	24394	43467	26522	46655	60545	0	36581	39301	Lipid	0.26666668	1.6666666	0.06666667
20	C15 H25 O4 N1	284.18564	284.18597	0.098475605	284.18567	54954	52604	67144	59663	87131	55794	41076	66767	34477	45755	38953	36286	74813	71228	46748	115694	88593	92260	94341	87965	74997	50226	49520	61960	52278	29968	52358	46802	96136	156119	55539	103473	82960	117175	44726	113504	96061	34496	84482	38406	44685	60395	5930	1729	1602	49057	69876	1976	71232	54352	64220	59219	66461	4365	47911	70807	38821	101900	34341	54771	116811	25477	49112	39957	31713	76100	74221	84297	20006	17717	20459	61962	116904	312253	98550	122603	1445	41948	48780	85061	47153	36408	39964	32786	88742	50162	71427	65541	58500	97600	124441	110039	85489	55525	82609	2291	63745	85013	51858	90078	127387	111097	37332	71411	45923	71136	77253	1591	51046	58168	Lipid	0.26666668	1.6666666	0.06666667
24	C15 H25 O4 N1	284.18564	284.18594	0.12357903	284.18567	8407	6249	6295	6145	34406	7803	4731	5215	4863	2175	4329	5214	13867	14094	7362	6257	7956	15307	17354	6805	6011	2483	12658	3150	7535	0	4894	6457	8286	7147	3503	7854	6525	6018	2339	8685	6677	6373	7565	1560	2466	6986	2113	0	0	5678	1925	0	5549	6522	6343	5482	22185	0	7254	11620	5586	6924	3916	4834	8407	0	6584	5646	5899	11557	11633	5958	2370	0	0	4975	5301	7936	6415	7164	0	3887	4188	8733	8445	7855	3725	2232	15272	8690	10860	4732	7518	8329	9808	9707	6998	5079	7809	0	6370	6702	8603	8736	14188	7263	5963	7232	7560	4607	16894	0	8044	18007	Lipid	0.26666668	1.6666666	0.06666667
18	C15 H25 O4 N1	284.18564	284.18597	0.06591291	284.18564	66457	59044	70279	56171	73362	52762	80678	76374	34906	46790	48877	41768	74461	71323	50914	133329	118970	83012	88641	88355	75596	70122	56332	68161	58609	49390	81491	50428	83863	81281	53950	72026	86993	77907	40927	75902	80112	43470	100576	38658	49409	60071	4968	902	763	57203	68713	1406	76156	74086	75501	68575	56664	2813	62665	70844	36444	120263	31938	58866	108463	33166	69815	47941	38352	72855	73850	113227	42145	37445	43440	55857	56835	75009	105535	61122	965	35086	60147	99882	37430	45647	62001	71259	77945	62765	76867	61986	56953	156903	134080	104400	111933	66385	120072	1151	61615	77199	45549	72353	116882	108091	37868	67814	37108	65313	65273	745	69620	45281	Lipid	0.26666668	1.6666666	0.06666667
16	C15 H25 O4 N1	284.18564	284.186	0.06481874	284.18564	76607	82588	83868	83818	163567	60812	97373	75723	49277	43890	45798	52481	103889	66486	55697	106134	146727	188177	184306	98343	95144	70622	58681	82076	68756	83359	86550	42580	78486	89004	59856	69622	91827	83804	76550	88355	86134	39160	118135	57744	69737	75786	5698	757	1114	61086	100989	1229	83433	85325	92647	76468	115116	1814	57196	73981	47503	90332	32650	85609	101795	33724	110179	45223	48586	154915	99578	107322	61702	53015	73629	75713	83877	88782	115687	81993	627	43338	75800	96579	44053	49085	84550	92263	98281	69098	115254	116584	76361	209833	119112	103004	127846	66973	114654	975	85522	103084	47422	90681	154022	124170	40213	78436	34702	82899	91447	894	78507	82609	Lipid	0.26666668	1.6666666	0.06666667
14	C15 H25 O4 N1	284.18564	284.18604	0.069085665	284.18567	40266	38078	39442	40083	43727	28679	36307	45916	23068	32822	13712	20434	60023	38630	25964	64923	65607	52012	47026	57260	64484	58684	34589	39364	35489	70634	34030	29025	45709	43805	29270	37189	50222	36322	38032	48871	45021	22177	68893	31273	41827	33596	0	581	711	36938	48914	787	39268	39382	33887	37057	28932	854	34407	42461	17345	55883	13795	40546	37656	19773	34534	22087	20311	38905	36968	56451	43011	52118	54160	34915	37023	39994	58835	33881	407	27191	33698	45831	19579	26898	43212	47822	54948	27342	40071	24947	29660	109916	83122	53472	87640	36239	67661	969	41762	51276	26247	48123	77591	45013	22525	42359	0	41774	42607	519	32919	28990	Lipid	0.26666668	1.6666666	0.06666667
10	C14 H25 O3 N3	284.19687	284.19717	0.01563238	284.19687	5845	4729	5390	4120	1353	2269	2921	6753	0	2228	0	4556	0	0	5394	3995	1776	0	1454	4115	0	2127	1764	3394	5554	0	2536	5400	11312	5879	6986	13657	16187	14164	2546	11126	13196	3195	3169	0	0	3215	0	0	0	0	0	0	12324	2944	3727	3690	1055	0	0	0	2230	5694	0	0	0	0	0	0	1491	0	3634	5699	0	2126	0	3255	6529	6337	3814	6841	0	4765	1939	29299	1212	0	0	1016	0	796	2480	1201	3374	6070	68908	20215	10718	3265	2668	0	3527	2723	0	0	0	13314	5805	0	0	4815	0	0	3312	1611	Peptide	0.21428572	1.7857143	0.21428572
6	C14 H25 O3 N3	284.19687	284.1973	-0.012665339	284.19687	7949	8043	5852	7034	3075	4843	3395	5781	3033	6693	5484	3223	3758	1440	3865	10579	5052	5008	4650	6331	3894	6655	3466	8326	6831	851	4300	22824	7456	4670	5895	7252	8009	5962	5803	6208	8893	3216	5980	3514	956	2946	0	0	0	4356	1636	0	6814	3794	8261	7258	3002	0	4049	1128	1546	14043	0	0	8116	0	2396	0	2018	2184	2518	9884	0	4041	0	4154	4232	4067	5076	5272	0	4320	6122	71352	4889	923	860	1885	1924	1255	7285	3108	3135	14855	121428	29540	21262	7333	3452	0	7625	7301	1602	673	468	6032	3057	3563	0	9000	2238	0	4848	3730	Peptide	0.21428572	1.7857143	0.21428572
4	C14 H25 O3 N3	284.19687	284.19736	-0.0357727	284.19687	4511	5184	5074	5199	2078	3252	4194	5656	2549	2574	1619	4237	1865	1374	4549	5833	5191	4168	6198	4160	2845	6541	4124	6578	6383	1287	4050	5107	5345	5275	5608	7730	7991	5876	3598	6710	6572	4022	8605	3122	2065	2269	0	0	0	3487	2425	0	7181	4980	5000	3978	2739	0	2772	765	1055	6924	0	0	6137	1524	3158	2555	0	3122	2029	8133	0	2491	0	3239	5089	8062	7934	5091	0	4180	5578	24638	3866	1241	1307	2571	2392	2020	6002	3205	3022	12104	28433	11346	17080	3537	3314	0	5034	5074	1131	1275	1056	6121	3772	5368	0	7228	1313	0	4281	4182	Peptide	0.21428572	1.7857143	0.21428572
10	C16 H29 O3 N1	284.22202	284.2224	0.06676845	284.22205	4908	5743	3284	3863	3371	1422	6943	6496	0	3179	3021	3594	2243	1434	5232	6946	1961	0	2111	5555	4763	4489	5029	4402	7271	0	5900	7784	4166	7254	7216	8696	9698	8485	5004	9672	7097	5088	2461	3855	968	1184	0	0	0	3240	0	0	6457	7268	3912	3028	2407	0	0	0	1049	9908	0	0	0	0	1393	0	0	2211	1305	3020	0	2371	0	5761	11624	16759	2120	5762	0	4202	2937	0	2942	732	0	2835	817	704	9277	1448	1464	10878	29701	2357	12810	2251	7061	0	6024	4096	0	0	0	6123	3597	3524	0	6183	971	0	6716	0	Lipid	0.1875	1.8125	0.0625
6	C16 H29 O3 N1	284.22202	284.22247	0.019845122	284.22202	15373	16049	13135	14016	3488	4960	10454	29361	1644	8856	3851	11159	2564	2880	11197	29669	20934	5068	10293	8888	8692	10506	7278	21528	16317	903	13445	0	22489	28163	29924	31657	31544	24990	16171	23335	28099	9044	26832	3155	1941	12503	0	0	0	8275	5318	0	47322	25298	14126	14684	9621	0	2427	0	3820	37503	0	0	29558	1095	1798	1414	4283	7028	13358	36614	0	6606	4301	32791	21775	22256	25065	20049	0	14184	8046	3821	5503	617	665	1879	1349	2309	21477	8755	14768	33050	23535	7953	33520	4472	8919	0	14016	15139	1535	693	775	28512	14288	9081	0	23197	1411	0	11044	1931	Lipid	0.1875	1.8125	0.0625
8	C16 H29 O3 N1	284.22202	284.22244	-0.002231315	284.22202	6951	9606	7864	9742	5304	4193	10425	9876	1886	7329	2767	5379	1449	3261	6641	17889	10271	2245	6501	8716	7172	6903	5694	8970	8564	1544	8967	4235	8805	9991	9642	19884	14421	15752	10999	15973	15369	5467	10923	3587	1234	3583	0	0	0	3688	2710	0	13189	7072	8256	8939	5649	0	3338	800	1995	22287	0	0	19227	1888	0	1939	0	5550	6110	10151	0	3926	2655	11543	9340	9968	13747	10763	0	7105	5018	3659	2572	0	611	3125	888	0	20132	2369	5074	16985	17231	0	20703	2368	7497	0	8065	7845	1652	0	0	13107	5252	7712	0	11203	3812	0	5772	1321	Lipid	0.1875	1.8125	0.0625
24	C16 H29 O3 N1	284.22202	284.22235	0.1467781	284.22208	10548	8042	11011	6279	11413	17898	4593	5869	3043	27350	19030	2454	8193	14234	3660	11980	8548	6389	10159	19962	24186	7958	5367	4487	10342	2016	5528	25363	8254	10131	6894	11088	13547	6069	15689	9904	7354	3358	6847	6191	8616	17537	3186	0	0	12779	18181	0	18528	21735	9198	7763	7680	4700	4638	2964	4579	10374	6642	19017	10882	3135	8992	2885	4907	17937	18501	12664	1752	2733	0	5399	6211	8559	6283	13107	0	3306	2886	22987	1724	18434	6649	5090	3035	6898	8788	10980	10794	12521	41420	27943	17940	7284	26788	0	8882	12313	7435	3782	5160	7699	2528	10505	14320	10804	5690	0	5915	16966	Lipid	0.1875	1.8125	0.0625
14	C16 H29 O3 N1	284.22202	284.22232	0.15819189	284.22208	0	1804	0	0	0	1704	0	1471	0	0	0	0	0	0	1023	2552	0	0	0	0	0	6611	0	3225	1630	0	1128	0	1327	1436	0	0	2755	0	1824	0	1467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4395	0	0	0	0	0	0	0	0	0	1726	0	1612	0	1658	1725	0	0	0	0	1134	0	0	0	0	0	0	0	0	2968	0	1025	23615	9564	0	11984	0	3077	0	0	1946	0	0	0	0	0	0	0	7227	0	0	1827	0	Lipid	0.1875	1.8125	0.0625
22	C16 H29 O3 N1	284.22202	284.22232	0.0892963	284.22205	2022	3606	6745	4903	3146	4931	9370	13497	0	3771	2727	2193	0	9802	1524	7788	10458	0	0	4522	2609	2289	1079	6857	2598	2773	7348	3829	5603	20157	3582	8452	10402	4747	0	4807	2159	1230	8913	2719	4504	8717	3341	0	550	7638	11464	2713	15901	55940	7472	2614	2151	3240	0	0	5417	7985	1113	17711	13013	0	3365	0	7904	6544	9088	12578	0	1768	4125	25000	7264	15649	9299	13205	512	1122	1851	13359	0	4439	3648	4677	2773	4968	1908	8088	1608	6730	18294	7274	4932	3143	8753	0	4934	3974	2980	1337	2571	3057	1130	3291	5135	9970	3425	0	4184	8139	Lipid	0.1875	1.8125	0.0625
4	C16 H29 O3 N1	284.22202	284.2225	-0.05501642	284.22202	20339	24578	20194	20686	1441	4491	30816	76502	708	6528	6055	38501	1220	1779	14683	62134	51184	3228	3675	10205	10644	5292	9557	61161	13384	1433	37763	5482	33199	75296	52995	42702	43252	36316	12298	41210	50948	15847	63900	2286	1042	6895	0	0	0	10926	4195	0	74207	84615	20594	18525	4915	0	1045	0	2639	41634	0	0	50572	942	1449	2308	3606	3524	7365	51656	1655	3051	2630	69542	0	51459	86651	51258	0	29669	14841	0	11300	1090	857	2092	804	3236	12501	7507	13938	11534	12852	3503	18076	2307	6592	0	20867	24516	589	0	754	44890	24093	6738	0	21097	420	0	15747	1270	Lipid	0.1875	1.8125	0.0625
20	C16 H29 O3 N1	284.22202	284.22235	0.09095119	284.22205	7357	10839	10008	7809	4000	54364	1517	8622	0	32322	0	0	6042	9027	0	12231	12513	9907	1634	0	5124	2540	0	2615	1511	1434	3553	0	6646	29699	6113	27996	54626	9942	9734	13603	9066	1090	6560	11798	4648	48056	2058	0	280	27217	12323	0	103003	107959	7882	11703	1111	8734	0	0	0	11207	0	59417	7890	0	18192	0	0	35720	2570	15732	0	0	0	10714	4417	5961	8619	32745	293	0	2993	4071	0	0	1284	0	0	0	4580	18356	1878	12966	66814	2322	19418	0	67148	540	11843	8937	0	0	0	4860	0	1599	0	5077	0	0	1847	76068	Lipid	0.1875	1.8125	0.0625
28	C17 H33 O2 N1	284.2584	284.25867	0.110175215	284.25842	1296	1215	1014	1409	1511	2109	11508	2911	0	1819	2055	0	0	1855	2556	2592	0	0	1966	0	0	1756	2081	0	0	5904	4399	3433	0	0	1987	2118	1531	2009	0	0	1344	1786	1401	0	1277	0	2426	3131	0	0	0	2774	1481	2690	1475	977	2501	3690	0	1862	2305	0	1738	2379	0	1605	0	1671	1998	1027	1082	1506	2529	1922	1262	1836	1878	0	2381	0	3686	2497	2067	3379	1566	1972	2464	23376	0	1751	832	1740	1370	1274	1550	1635	1652	885	0	2744	1980	2094	1817	797	0	0	2000	0	0	1120	1451	2485	1775	0	Lipid	0.11764706	1.9411764	0.05882353
26	C17 H33 O2 N1	284.2584	284.25867	0.091902785	284.25842	15533	10681	15512	14220	3467	4464	3635	0	4546	6900	7700	14930	10914	2293	20456	0	0	0	3783	0	0	2951	13803	0	0	0	1848	8975	22575	0	0	7145	2569	0	0	5272	0	14305	3007	0	0	0	0	8597	0	0	0	0	9463	11129	15186	12551	3297	0	6257	8671	3125	2366	7244	7338	0	6837	4209	25229	12637	7556	3854	4677	0	0	0	0	0	0	0	3774	0	21747	4154	22328	2479	43800	2495	10441	0	0	4223	6087	0	6064	5086	2708	0	7474	5236	0	12646	13635	10124	6240	7561	0	10599	0	24172	1485	7481	0	3475	9429	Lipid	0.11764706	1.9411764	0.05882353
16	C15 H8 O6	285.03937	285.03973	0.18190068	285.03943	5109	9151	4982	7646	14044	7875	3386	0	12598	2892	2148	2121	20872	10588	7827	5608	2368	25428	25650	4350	3133	5461	7933	6352	4079	0	4005	2206	3738	1956	4877	0	6038	3286	5183	2080	4259	4470	4582	1342	2306	8175	653	0	446	1991	2583	505	4094	1409	7774	7055	8870	333	11535	5573	7758	9212	0	2622	0	2016	18408	15839	9329	17146	13015	0	5007	0	0	2472	1490	0	2149	0	287	2376	13713	6729	5422	3662	2632	1845	18552	12214	14620	13280	14145	0	4203	3671	0	6212	5289	437	6439	8707	10243	10896	8439	5412	2051	0	0	0	8727	339	6595	19756	Phytochemical	0.4	0.53333336	0.0
14	C15 H8 O6	285.03937	285.03976	0.13391589	285.0394	7571	9776	5642	5181	13676	9215	3885	2753	14774	5238	5521	2519	19593	7650	7979	6800	4463	29425	45735	3544	3773	16613	8471	3432	6825	0	3302	0	1751	2876	2260	0	4674	1198	8675	1937	4949	7396	3039	1679	3270	9761	0	0	0	2751	0	0	2123	2357	9489	9669	11424	0	10502	10071	10304	9036	0	0	0	3045	18757	15554	8705	16978	7700	4589	0	1535	1385	0	1199	0	2356	3168	0	4330	13561	0	8384	3085	1829	0	14961	12742	20448	16812	19880	15143	3214	3643	9501	8651	7081	500	5521	6216	8345	13072	11229	6695	5487	1840	0	8492	8572	0	10845	17016	Phytochemical	0.4	0.53333336	0.0
18	C15 H8 O6	285.03937	285.03973	0.16254178	285.0394	4265	4626	3897	3280	13027	9690	3267	2911	12439	5926	2067	1399	10643	6985	5710	5383	4399	23139	16222	1919	0	7795	5733	6392	2471	0	5318	1431	0	0	0	3262	2843	0	6650	0	4790	3953	2789	0	0	6222	553	0	452	1874	2462	532	2417	1516	4570	6326	8964	369	7639	6629	5557	4047	0	1956	4840	1956	17218	9720	6155	12869	6309	4532	1160	0	0	1843	1787	0	2602	0	0	1323	10306	3230	6917	2399	0	0	12135	9239	6980	11076	12375	5518	0	2063	4353	2541	3805	444	4094	3819	6445	9145	12031	3678	1953	0	0	3091	5171	513	5328	11366	Phytochemical	0.4	0.53333336	0.0
16	C12 H12 O6 S1	285.04272	285.0431	0.17080216	285.0428	4259	4715	4129	4275	12288	12482	1593	0	10974	6332	2885	0	25547	6738	1914	1859	1973	21653	14749	2363	2931	6106	1603	2757	4867	0	1643	2655	1531	0	1194	0	3050	1327	6561	2026	4408	1624	1939	4198	2795	6497	0	0	0	0	0	0	0	0	3337	6212	11555	0	9382	8581	4581	2340	4006	2463	0	3279	5686	7062	2970	12997	6713	0	0	0	0	0	0	0	1793	0	0	1221	0	8925	1342	0	2424	2356	7776	3050	2983	5558	7313	0	10816	13119	0	9139	7802	0	9181	4560	6357	8646	5793	3969	0	3485	0	0	11800	0	1227	15134	Organosulfur	0.5	1.0	0.0
14	C12 H12 O6 S1	285.04272	285.04315	0.12291306	285.0428	6208	8794	6218	4704	18857	14445	2573	0	12332	8788	11389	1189	32294	8092	1455	2716	2638	27128	12710	5214	4315	11915	3117	3200	4618	1297	2062	0	3124	1464	1253	0	4940	2263	10238	1806	5270	2746	1793	8988	10061	4724	0	0	0	5050	0	0	0	1378	8531	6267	11973	0	12384	9000	8108	3530	5438	0	0	6971	10967	9278	4472	16569	6877	1269	0	0	3171	0	0	1204	0	1238	0	1977	1815	19571	0	3089	3793	6598	12529	6098	5532	6291	8532	4240	18336	18463	3732	18550	21452	0	6236	6061	9138	11471	11863	2880	0	0	0	1611	11430	0	1627	24470	Organosulfur	0.5	1.0	0.0
12	C12 H12 O6 S1	285.04272	285.04312	0.11101677	285.04276	5670	10565	6373	7602	15006	9820	2697	1350	12671	16787	12839	1172	23543	6408	0	3792	0	17820	14298	7297	14542	18768	1209	0	0	2339	2101	0	0	0	1060	2035	3125	1298	14434	1527	2812	1662	1921	5950	18251	4019	0	0	0	4534	5980	0	2117	0	6525	8080	11558	0	9093	11475	5092	4880	0	8457	0	11633	9401	8483	2319	11460	4432	0	0	3694	8806	1289	1965	0	3075	1424	0	0	4291	21077	1511	4171	2813	7039	12387	4518	3198	7946	4717	0	11762	20999	3316	22381	30345	0	5959	7051	11333	13330	12008	3014	0	4651	0	3556	11933	0	2421	20622	Organosulfur	0.5	1.0	0.0
26	C14 H8 O5 N2	285.0506	285.0508	0.19299111	285.05066	2904	0	0	2182	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1690	0	5021	0	0	0	0	0	0	0	0	0	0	0	2582	2089	0	0	0	0	0	2517	0	0	0	0	0	0	0	0	0	37811	0	0	0	0	0	0	0	0	0	0	2164	0	4181	0	0	0	0	0	2416	0	0	53597	0	0	4608	0	0	0	1817	0	0	0	0	0	0	0	0	4669	0	0	2424	0	Unclassified	0.35714287	0.5714286	0.14285715
28	C14 H8 O5 N2	285.0506	285.0509	0.085919425	285.05063	1883	2209	4899	2132	0	1067	6589	3845	0	0	0	3981	0	0	3617	12996	52662	2011	1874	0	0	0	2650	8230	3987	0	19627	0	3648	7101	3923	1825	2126	3458	0	2137	2435	3028	60304	0	0	2437	0	0	0	0	0	0	2826	5261	4430	2873	1117	0	0	0	0	4192	0	2077	6362	0	0	0	1408	0	1600	28653	0	0	0	2646	1872	0	72006	2682	0	2033	4074	0	2197	0	0	0	0	0	3153	2622	1597	24836	0	0	4499	0	0	0	3856	4025	0	0	0	3976	1777	0	0	4273	0	0	7802	0	Unclassified	0.35714287	0.5714286	0.14285715
16	C12 H12 O8	285.0605	285.06088	0.16552292	285.06055	5212	7502	10172	12917	25603	16535	2148	2408	25324	2036	3425	7162	37977	19730	5172	3630	4483	31549	24291	2172	3988	4945	6560	3921	1759	0	2989	0	6076	3139	5598	0	6651	3693	2434	3405	5223	7744	4711	0	3007	6122	1169	458	1508	1483	4526	1795	5118	1638	7422	9834	20899	544	32523	18349	11108	4615	3580	3559	0	2591	42185	25228	9346	35695	9659	1988	3201	0	0	2126	4081	1790	4791	3493	887	3515	9249	0	6498	2395	1213	0	23871	14735	9960	12335	13093	0	6079	3487	0	4528	0	1065	5317	4246	16042	20504	21648	6012	4854	0	0	0	14742	952	2506	49612	Phytochemical	0.6666667	1.0	0.0
6	C12 H12 O8	285.0605	285.061	0.15821643	285.06055	19189	19915	18387	19140	71238	24135	4700	3105	67149	9851	7868	6433	129131	23454	6734	6095	7687	68336	58563	5939	10768	9230	11299	5967	1995	0	4343	0	4908	3048	4483	4622	9361	6277	8761	4815	11731	5912	6510	2409	6743	20879	0	0	617	2663	5246	491	6348	3098	18205	18108	40750	585	58534	76694	25748	6636	3692	4151	9478	1919	141432	66536	18962	85060	22972	7898	1985	0	2889	3858	5100	4088	5179	5050	366	5211	7962	3006	6215	2654	1810	1000	77205	23194	10793	27610	28450	6951	4851	6539	4554	8072	6222	531	19014	15502	43585	106849	107602	14202	6522	3898	0	6796	58357	0	3459	149220	Phytochemical	0.6666667	1.0	0.0
14	C12 H12 O8	285.0605	285.0609	0.16717172	285.06055	17790	18111	13093	13485	46906	35818	6613	6154	66794	5783	10355	9167	108321	34372	10858	6323	8751	80286	57699	1993	8924	10955	13508	0	4739	0	6384	0	4172	6507	5568	0	16473	5209	7408	5599	10713	11275	3218	2196	5158	22967	0	478	1122	3977	4615	1283	7366	5438	17814	15323	38557	865	77124	44925	21048	9729	0	0	0	4135	114407	69933	18264	73267	25804	6701	0	0	0	4453	5560	4881	4694	6654	669	11051	13634	0	8378	3154	1475	944	48430	19086	12474	20811	26713	8673	3482	4773	7823	8159	2945	923	12948	14937	34515	42500	47633	13849	10369	4496	0	6973	29127	623	5947	108243	Phytochemical	0.6666667	1.0	0.0
4	C12 H12 O8	285.0605	285.061	0.1196703	285.06052	5067	6924	3582	5127	18280	4955	999	2032	14443	1800	0	1556	32971	6573	1933	2205	1601	16146	14816	1468	2701	2232	3600	1803	514	431	827	0	1118	1002	1606	1880	2647	1146	2455	1079	2462	1785	1729	1308	1614	5431	780	0	605	0	2007	704	1702	739	5047	4907	9790	445	13941	24693	5937	2797	1081	1087	1986	0	34068	17002	6596	18794	3758	2502	872	0	0	1589	1415	1003	992	837	324	1116	3228	0	3277	1362	663	0	23775	4772	3950	6384	6998	1651	0	2052	1821	1295	2436	805	4735	5345	11856	40499	31550	2255	1805	1406	0	844	14263	426	1185	36212	Phytochemical	0.6666667	1.0	0.0
10	C12 H12 O8	285.0605	285.0609	0.14069623	285.06055	37390	33287	31284	33533	132047	71288	11154	11294	138831	15150	16388	15466	242059	73266	16379	11309	16085	148304	143947	9851	21310	19626	24490	11341	3881	0	10070	4220	7498	11413	12831	10636	23054	12179	20912	6794	29288	13890	13005	9516	12550	35770	2200	0	689	5301	8526	1137	11921	8005	29489	33442	77114	741	151082	118070	39519	12840	7552	10351	13626	7638	233370	170185	41813	156503	44116	12896	0	3421	5102	10157	8873	6442	13160	8848	607	11850	17597	14013	17355	6680	2661	2427	125327	40686	22073	45574	45738	10939	11233	14272	12690	19567	10832	724	32173	36410	87566	148567	132481	26916	14964	9242	0	14561	85555	599	5895	287777	Phytochemical	0.6666667	1.0	0.0
6	C11 H12 O7 N2	285.07172	285.07224	0.21583505	285.07178	4537	5677	4912	3847	9657	4839	1103	3704	8672	1190	2243	3166	15042	4608	2429	5771	6043	13924	12390	1320	2477	4954	5906	5072	1080	0	1204	0	2213	1999	3828	3218	5394	2244	1973	2605	5255	4008	7123	2109	2385	7388	0	0	0	1738	0	0	2429	2451	4859	3968	7598	0	10904	6131	4689	4347	2233	2421	5445	0	18000	11189	5793	15592	6612	7107	0	0	0	2220	2480	1208	2327	2692	0	2225	3753	0	2823	694	794	0	8642	3835	2911	8866	8087	8372	0	1180	9937	960	0	0	4552	4966	5553	7740	7514	4835	2685	2300	0	7360	5384	0	1866	26734	Unclassified	0.6363636	1.0909091	0.18181819
8	C11 H12 O7 N2	285.07172	285.0722	0.15840675	285.07178	4526	4958	5047	6044	9185	5209	2536	4364	10153	1172	2941	4124	12585	3014	2449	6097	6588	11844	10477	1711	1766	6114	5208	5924	1964	0	3199	0	1723	4237	3052	3445	7432	3967	2431	3422	7261	5052	7570	0	2758	8049	0	0	0	1834	0	0	3575	1456	4761	4953	8510	0	9475	5661	5323	6546	0	3028	5079	0	16313	14976	5966	11790	7256	11307	0	0	0	4199	2465	1153	4206	3894	0	3181	4204	0	3803	1160	1712	0	7167	4223	4306	9293	9521	10274	0	0	10946	2398	1274	0	5535	4073	5229	7053	5455	6446	3714	4334	0	8089	6924	0	2651	20652	Unclassified	0.6363636	1.0909091	0.18181819
10	C16 H12 O5	285.07574	285.0762	0.17253065	285.0758	22787	25021	19579	24385	17196	14140	12723	16583	24162	34975	22025	13522	27224	12493	13237	24082	16846	24285	23213	29373	31492	35631	19897	23638	12358	24249	13740	14864	12899	12829	12127	14686	19231	12023	49667	11992	20207	15391	20289	23060	29848	13758	2877	1123	2377	23643	18721	3501	15696	12258	23612	19831	17431	2336	28194	19682	13508	22616	12890	15079	23160	15018	23765	21708	11849	20976	13746	20777	27967	29799	37180	13892	13302	11430	15508	14916	2591	11258	28240	12284	25044	17440	10796	10054	23624	14169	22273	15666	17984	29934	10312	14794	25317	25495	30639	2935	21923	25252	23231	22852	24331	15171	14645	14728	0	16216	18014	2240	13379	25760	Phytochemical	0.3125	0.75	0.0
14	C16 H12 O5	285.07574	285.07617	0.15778989	285.0758	60723	74584	54023	57943	63121	39266	43329	45275	65520	93396	77131	30840	73142	40233	42089	59953	40811	96099	90371	93575	95351	100914	49689	50516	43617	96851	37088	57045	37723	30847	35030	37361	62415	34954	125543	38884	44680	38420	56246	68412	86748	42495	4380	2161	2600	52249	57366	3969	45234	33677	60915	62507	58017	2767	67101	47508	40583	59791	29121	36818	50844	44545	85757	68024	32405	72495	44328	52541	72686	99658	110722	33496	35172	29479	33951	38904	2231	34163	66102	65191	50362	45743	34090	43295	58993	43540	65530	46938	59201	76444	57809	52615	73501	69021	98169	4768	56782	55485	56630	63076	61765	52539	40849	44170	35799	49275	41295	2638	44601	74174	Phytochemical	0.3125	0.75	0.0
20	C16 H12 O5	285.07574	285.0761	0.14299113	285.0758	45356	48378	42754	37840	58942	44386	26951	27416	54436	65518	53825	22473	58563	58035	37119	43538	31041	92870	86109	49823	59373	68433	37664	38612	31027	43938	28950	52194	30583	19306	22327	23479	47449	27656	85787	18055	39850	25660	28199	46100	48997	40301	8387	4068	4351	37471	37855	6920	27607	19993	39021	47379	51709	4578	51084	41392	34406	43225	27042	24329	40095	32893	68033	43777	31413	66633	45627	31612	41035	40713	52924	24168	20495	11266	21530	21677	3337	20412	57441	62437	47161	30261	25988	35074	64768	35387	54853	45449	46207	46466	34374	41779	50397	66607	59013	8986	42778	45252	45914	55450	52296	38637	22766	32653	36073	38286	36956	4916	37510	73903	Phytochemical	0.3125	0.75	0.0
8	C16 H12 O5	285.07574	285.07623	0.15462151	285.0758	12224	13262	5723	12933	11029	5873	6669	8416	13551	15350	11327	6462	11617	6620	7356	10538	10091	11997	15754	11896	14082	15958	11622	10538	5024	9866	6812	5776	8645	9386	6156	6905	8871	6808	21552	6400	7975	7248	11268	11106	14993	9259	2137	1012	1968	10471	10044	1776	6613	6383	9332	9481	7859	1307	14493	10903	7894	11274	5265	10450	9604	6944	13891	12030	7494	11620	7038	10425	16323	12659	25942	5883	8285	6585	5617	9173	1456	6061	13174	6524	10921	10499	6715	5635	10095	5537	13157	8393	10076	15846	0	0	10768	12652	10045	2546	9652	10457	12989	15660	11777	10064	9015	10338	0	11290	9212	1011	8109	15613	Phytochemical	0.3125	0.75	0.0
12	C16 H12 O5	285.07574	285.0762	0.16014038	285.0758	41741	49536	40105	46541	41823	22179	27917	31123	49249	65497	43262	26832	48110	23298	31476	43292	36457	62490	68735	59198	54170	66159	40056	41130	25653	49284	26477	34471	24987	25361	27394	27704	40341	26658	83478	22230	33537	35104	37399	41609	56031	28492	2292	1414	2309	38806	43113	2869	30276	27418	44006	49900	35258	1940	47339	29484	30534	46404	24635	24729	30812	28114	65874	39663	22075	47543	28894	40678	45105	58550	83410	21855	21607	20362	26652	28330	2014	24321	46725	35964	40151	37212	17128	26836	40861	31015	47217	30110	31183	68390	34934	43291	54688	53165	65156	2791	45190	51182	43686	37112	37213	44045	26380	26780	20113	36515	35408	1446	33216	64371	Phytochemical	0.3125	0.75	0.0
16	C16 H12 O5	285.07574	285.07614	0.16256462	285.0758	73950	79197	74363	77653	80780	61462	42838	39839	83604	142966	99268	36374	102124	53820	56189	72039	49590	128094	132039	100233	106984	130191	53791	67933	48326	92282	47893	69628	39399	32884	38546	46667	60201	36284	164648	37786	60489	43704	50283	78388	88002	46381	6817	3230	4777	60425	63340	4607	47641	41260	81499	71654	68393	4846	82999	61628	43766	69738	41251	43454	60433	58526	93050	73155	37798	97888	67786	50101	87736	113059	108046	38352	41520	29274	35866	44464	2846	33383	86490	89943	53587	59288	42984	61313	84085	54865	87013	67203	72718	76642	77108	70353	77036	102112	129868	6096	77444	71444	74058	73525	74127	66792	38021	52094	37112	52971	61057	3749	57926	99035	Phytochemical	0.3125	0.75	0.0
18	C16 H12 O5	285.07574	285.0761	0.17186654	285.0758	100227	89912	71407	72710	84492	62449	45541	54522	69443	112122	101066	40928	94406	59455	59225	94107	46096	163753	204690	95786	93803	146625	89930	86266	71865	68794	38986	70424	43443	30965	40375	35067	67023	39382	133521	32146	62337	56857	49164	89149	77975	59928	9917	3147	4305	76234	81695	4985	48722	41145	76794	78803	74640	4155	84348	59987	53385	107765	42904	59242	96801	61497	108396	59996	54159	98165	74624	52561	69330	73257	96419	39872	27681	27516	30480	41007	3294	36827	133808	98736	94163	68284	44877	57766	92749	62976	169771	87745	76614	239853	107634	107767	184349	102952	133627	8082	75393	67670	59183	67958	63289	56168	39675	63173	44625	81558	49501	3967	82803	89675	Phytochemical	0.3125	0.75	0.0
18	C13 H16 O5 S1	285.07913	285.0795	0.12708616	285.07916	14524	19584	14052	13717	22569	17496	4806	2894	12487	40940	19121	2678	22965	8970	6251	6000	3721	19402	19522	29330	33933	32024	2145	5377	9316	7762	3585	21900	4468	2278	2661	3302	10423	0	39044	3836	9994	4918	4286	32115	27192	10832	500	0	0	17753	14727	0	4990	1599	14825	13506	18000	0	15844	12651	9543	11649	21734	9462	5572	25979	9179	7380	4606	13841	12778	4188	5873	8796	8704	0	1682	1344	2599	0	0	1533	3763	25359	1819	9522	12187	23104	10918	10082	7306	6965	8050	5420	72586	70336	6890	27850	53690	408	16149	14327	13131	17865	12516	8116	2899	16739	12971	5014	13888	0	4668	15310	Organosulfur	0.3846154	1.2307693	0.0
20	C13 H16 O5 S1	285.07913	285.0795	0.2071006	285.0792	4768	8183	4463	3814	7032	11477	1902	1933	6994	7597	3452	1217	6861	4869	2926	3026	3931	12462	6271	8864	9633	10047	2351	3179	3124	1763	0	3398	2668	0	2113	2176	3538	1609	11187	1981	4940	2336	3181	3068	5736	5762	531	0	273	4782	4347	0	1988	0	3660	6014	6473	0	4332	4718	5715	6142	5647	4244	3460	7394	3326	6373	4614	6953	6061	4103	2637	3859	1824	2065	1129	0	2471	2002	0	1230	2380	7192	1890	2551	3770	0	2442	3991	3254	6461	7144	3664	20380	23142	5105	6957	11590	0	4602	3061	3125	1750	2335	4420	1557	8013	4583	3608	4983	0	3703	9511	Organosulfur	0.3846154	1.2307693	0.0
16	C13 H16 O5 S1	285.07913	285.07953	0.21219176	285.0792	16922	23995	23744	21869	31581	21997	5869	2783	23698	77443	42706	3694	30688	12305	6424	10028	6455	41229	33381	79055	69445	70467	4711	9040	9889	22156	4894	45281	6847	3200	5661	6145	9432	6826	66772	3709	13784	4034	11163	68799	50447	10850	1043	0	0	30924	31711	0	5966	3083	23599	21567	23174	0	16183	20587	9833	13579	29508	22046	0	48079	16849	14711	10044	29236	15337	7682	18449	24161	22530	2585	2252	1803	5737	3894	0	2049	8732	53867	4020	27654	21242	43321	17442	12636	11699	16183	15855	0	107599	109037	0	63237	101527	0	24509	25548	21324	17864	21703	15298	2931	35540	25369	0	21426	0	6807	28523	Organosulfur	0.3846154	1.2307693	0.0
14	C15 H12 O4 N2	285.08698	285.0874	0.184564	285.08704	18044	17644	13903	17691	13098	8120	11302	14818	7747	21825	20792	7647	16110	13592	7731	24214	27813	11426	17129	15638	31876	26666	16296	23563	17439	31692	11264	17903	9368	8427	9721	11827	18804	9700	28704	6840	15492	13215	33125	27635	59080	10327	0	0	0	25593	36597	0	13326	13584	17772	16662	12100	425	13469	8204	8072	25218	9788	21480	24512	21827	11467	12353	8471	15078	10863	24795	22235	33106	45399	10564	5688	5407	13239	10730	0	12636	23306	33756	18314	15604	12233	23748	10547	8434	24131	19251	11606	57693	18368	19912	44005	31356	32497	0	20947	13633	10933	11351	11807	17974	8872	10259	0	26418	5719	0	14860	10847	Unclassified	0.26666668	0.8	0.13333334
16	C15 H12 O4 N2	285.08698	285.08737	0.16828345	285.08704	11079	11116	8286	9957	7334	4454	9107	8158	3701	12759	10815	7630	5179	4982	4571	11640	19012	7476	6225	9573	21760	24439	8273	19938	6311	12274	8892	8027	6396	6179	7231	7099	8585	6845	16710	6113	11632	6075	17497	18102	42198	8586	817	0	0	17166	28882	562	8454	6875	10763	13502	6234	396	4397	4166	6479	21886	3567	17021	12698	8053	10143	5201	6031	7007	9140	16402	13086	15055	26640	7004	6693	4532	11692	6656	0	5839	17630	28944	13193	10084	9195	14049	7149	4040	14517	16774	7020	48177	18858	14442	0	21341	18703	444	11995	11148	3472	7280	5396	14042	6250	9892	6556	16197	3127	369	17221	7349	Unclassified	0.26666668	0.8	0.13333334
18	C15 H12 O4 N2	285.08698	285.08737	0.16545537	285.08704	10680	12586	5463	10308	3695	2707	7783	8568	3836	5914	7566	10789	2414	1803	4168	15995	22780	4196	4181	4099	6108	11633	4759	11553	4068	4348	11381	3424	13390	10365	9925	14918	10612	16687	5057	10959	12988	6481	26250	6044	24240	4888	840	0	0	3756	9588	529	18608	11502	6859	9001	5599	397	2427	1697	3754	13787	2991	10464	15842	3907	4107	4332	2597	4156	5990	28641	5120	4272	13805	9497	8109	6200	17827	12721	359	6377	12306	9740	7012	4503	2579	4714	4292	3104	9402	5484	4200	20091	6257	5775	15772	8328	12260	453	7696	6913	3589	4283	2236	13797	10571	5194	2647	11204	1677	442	8158	2646	Unclassified	0.26666668	0.8	0.13333334
12	C15 H12 O4 N2	285.08698	285.08743	0.20492813	285.08704	12656	16242	16727	17867	15616	9678	11592	12881	11291	27470	25412	9701	8496	9465	7506	16535	21623	16766	17711	30907	45928	22466	13157	20261	13474	33159	7547	20286	10477	7483	12092	7969	21628	11223	29385	8698	17096	11364	23604	33537	74492	10955	367	405	0	28006	45458	0	13817	7474	17317	16602	14733	0	12530	8641	9052	14272	6340	20318	16982	22114	19521	11382	9670	19877	12319	24926	37553	41919	67610	10697	6330	4989	9995	8056	0	9757	23781	31992	17823	19459	12289	25285	13942	9539	28023	16796	11191	60103	15454	15684	37678	30702	26811	0	18972	18808	13553	14959	13160	10686	11917	12500	0	20938	10211	0	20809	16219	Unclassified	0.26666668	0.8	0.13333334
8	C15 H12 O4 N2	285.08698	285.08746	0.19281578	285.08704	12364	13362	10957	13930	11416	6113	6112	9779	13172	23581	19036	6101	13112	5235	6316	12863	11241	10859	16478	27696	33329	21439	7949	11861	7495	16387	6700	12815	5781	4823	6130	7668	8140	6972	24582	5484	9297	6594	12093	25504	42747	7113	0	0	0	18254	35229	0	6619	6599	11151	13510	8822	0	12531	8921	4468	12873	3631	8952	7689	16508	12347	11340	5413	10409	8283	12212	20536	23077	36127	6674	5471	2964	10221	6554	0	4675	12068	27769	9146	12593	5298	19237	10481	6608	10736	9795	6266	22265	0	8094	19782	17189	26147	0	11636	12571	9916	12096	11562	10153	4984	10669	11398	10727	7027	0	8707	11506	Unclassified	0.26666668	0.8	0.13333334
10	C15 H12 O4 N2	285.08698	285.08746	0.24142486	285.08707	19468	17753	12682	12572	21656	6698	9310	9793	11076	34163	24594	7768	10968	7961	9669	18342	14712	11573	18250	36115	40103	20852	12213	20548	11166	24916	10255	16436	9686	8047	8278	8664	12911	9292	28802	9335	14391	7972	18689	36226	67984	8151	738	0	0	25695	45329	0	10365	8816	17614	14997	10491	0	10475	8777	6903	17619	5299	16311	14681	21407	9043	9824	6298	13651	10195	22954	30006	32281	45382	9630	7485	3608	8625	7541	0	8484	16471	27279	13329	16545	4704	23405	11233	6309	17001	13028	7949	41777	9009	12859	37009	29385	36188	0	16312	14719	8107	11557	10374	12289	9163	11690	14898	18212	10164	0	12478	12991	Unclassified	0.26666668	0.8	0.13333334
12	C13 H16 O7	285.0969	285.0973	0.08985328	285.0969	480723	528104	542419	499899	950601	696402	294021	286151	1258388	498169	368828	224654	1324632	444073	319273	324966	299640	1533038	1406875	576579	645330	418349	359006	223127	183842	173570	277280	273633	452236	281502	313571	352982	610867	349823	690812	336293	592458	301132	326685	422395	417981	514799	20348	7873	9540	254066	226445	8522	389729	248804	524188	497379	845328	9729	1877577	813865	467892	354670	336603	257649	348630	339707	1405321	1248568	338019	1158339	588493	278743	289512	330014	411452	259075	311633	293543	271401	321580	5091	292501	287898	230883	240034	197061	220095	192502	736534	522483	346594	454795	584564	253667	353259	506282	245717	318060	360114	13650	564241	563035	835687	768403	763564	523212	264970	338709	179279	246427	919267	8509	165186	3590988	Phytochemical	0.53846157	1.2307693	0.0
6	C13 H16 O7	285.0969	285.09732	0.09790733	285.0969	219234	258696	229484	245160	187642	219264	118588	179764	241260	132432	104404	131898	299159	89798	141314	203642	96510	596844	283114	110427	294098	225454	89585	177668	67816	40085	55212	51636	86151	90138	80478	191410	262832	157450	260504	169908	241242	68861	238702	62980	211574	257872	5944	2387	5532	72801	92908	2798	187370	148812	250172	121273	158676	4287	606646	236775	106660	218558	74391	205006	106437	59605	615574	224111	165764	222686	271468	119705	83230	68529	102017	66346	78540	79588	61445	76790	3406	63012	192952	39827	70702	51291	55230	33154	426536	116244	99710	231726	284538	192360	55507	78471	93398	84294	88433	4500	123221	116709	157046	491014	552984	140382	141642	99358	52745	165246	205489	2909	92114	352866	Phytochemical	0.53846157	1.2307693	0.0
20	C13 H16 O7	285.0969	285.09723	0.14958984	285.09692	35094	35355	28135	28093	39372	31906	22018	37604	44663	29897	11422	28438	55704	28563	47786	27529	21415	52618	52257	24632	15672	31901	37091	27854	27097	6477	18272	13505	40427	27547	26716	32207	48407	27544	35901	30565	41382	31395	22639	28361	16675	31551	7475	9199	9159	27533	12823	8514	33930	30377	28065	25320	34046	7391	61070	31075	28559	32298	23360	15181	29870	18529	53119	49260	24691	45397	29931	16743	12047	14679	12305	35912	38546	34524	22386	30834	8102	32745	31419	13309	30415	15256	20933	12728	30424	29589	29706	25399	33787	21334	30452	25949	32187	15493	12315	9702	29826	30147	29289	27055	31061	37399	35252	24531	17988	28503	20529	10787	25607	57631	Phytochemical	0.53846157	1.2307693	0.0
10	C13 H16 O7	285.0969	285.0973	0.08788267	285.0969	524276	482032	477700	441575	1864812	643268	258261	288993	1125450	581992	413938	528590	2964506	428208	302173	336495	626428	2937854	2466758	618640	646750	416934	355334	226576	168594	196384	243288	289068	363744	295561	277539	356889	1228452	719184	693814	362081	1212974	278271	720164	430829	479741	1042318	25299	6854	10102	255787	268690	8757	364438	245413	519709	515603	1493432	8375	3241484	1732036	355863	782702	304946	289246	399483	277654	1101010	2381174	307083	2222006	532044	674468	348502	337947	418545	270194	313869	295508	322351	301841	5097	250965	340929	248174	247470	193554	217325	189363	838546	506915	744432	962684	1108736	433994	366337	448745	263520	370064	425763	11111	516420	547354	767927	890530	873461	1113128	253126	403088	203549	496366	885932	8593	165210	1542160	Phytochemical	0.53846157	1.2307693	0.0
18	C13 H16 O7	285.0969	285.09726	0.14697401	285.09692	72679	65472	70612	69218	77155	79068	61905	65062	105804	57919	41293	47786	151019	58617	76283	66611	48128	141136	130667	45487	47644	62084	72674	51049	48912	18527	51663	29577	75682	61101	74040	68758	96499	67940	58295	73542	112473	59763	53858	51002	39618	72721	10274	6698	9810	46190	29599	8785	64772	55735	60675	78337	83011	6986	155682	79760	58505	77082	49071	31545	62904	34051	128966	115849	47255	122469	74455	49790	27657	25078	29499	65315	57877	70742	48039	80920	8199	55745	66246	27615	58702	38452	45265	34978	91371	59456	62453	61516	70904	36934	52527	61237	67137	29150	31261	9126	67116	62084	61888	73489	74742	90064	56182	51132	27310	49711	57136	7138	44076	136571	Phytochemical	0.53846157	1.2307693	0.0
16	C13 H16 O7	285.0969	285.09726	0.13740845	285.09692	154767	154531	160434	170027	276405	259114	107387	120887	356387	122444	78528	99179	525758	192617	140518	119115	113545	500869	403935	137495	131432	128428	152218	119436	95388	39411	81463	63111	153207	118153	128812	149316	223792	119457	164249	138053	225935	107436	118235	101582	102278	166813	12446	7885	11509	73522	71252	9133	154616	102714	164889	170222	258850	7653	460854	229851	144936	155047	117169	64786	123314	85166	380361	344245	111419	353019	213546	94843	61025	81509	78736	127293	146105	128488	88064	136229	8257	106479	129026	76410	88794	66956	74621	55891	224332	149488	134508	172483	182488	103244	106771	150186	116603	75950	93347	10414	168956	169679	191820	193050	217740	189260	98552	94004	52655	113673	202916	7900	84354	508682	Phytochemical	0.53846157	1.2307693	0.0
4	C13 H16 O7	285.0969	285.09744	0.12198424	285.09692	34984	80390	33198	35900	58312	32603	17494	28120	142642	26119	26472	42648	88330	39551	24466	29988	70594	84371	156438	26838	32754	39618	30327	61670	14834	11606	18851	11273	28512	22371	53400	23386	39549	21116	39449	27104	34729	44100	45073	20280	51890	84784	4430	3499	6523	27008	27205	4623	30924	25620	38049	32351	50041	4292	167978	81627	64066	67042	23013	50126	32245	14552	183686	73494	32094	128720	32144	40869	22501	16198	24034	24644	23394	27855	16546	26721	3197	22259	61742	11366	26747	17882	18415	7947	158850	79850	26478	31632	44017	55616	21608	21710	64392	21498	18577	10775	64198	38820	63297	198816	93934	42352	47762	29730	21359	26795	126572	4116	17685	195138	Phytochemical	0.53846157	1.2307693	0.0
12	C12 H16 O6 N2	285.10812	285.10855	0.16033494	285.10815	38366	32736	38672	36802	23977	28363	41168	42513	31781	11511	15156	30363	23252	13769	40962	55763	60062	54263	50250	16713	13841	41031	43034	48876	38272	1733	34576	11439	41830	33424	35796	43348	60785	39468	12451	38752	50725	46194	77650	13851	20428	28797	722	608	574	10011	11408	0	45555	35012	36302	32211	31500	475	34601	10091	27825	65527	24008	22500	44006	11159	24032	24723	21393	28301	29259	69446	0	7111	5359	34625	37701	33192	49248	32514	631	28433	42565	0	35908	10911	20503	4710	21501	25116	48591	38062	36051	97403	27950	33432	94280	12801	12906	590	46309	37097	17043	13652	13901	59927	38155	20707	0	53524	21319	657	35595	40584	Peptide	0.5	1.3333334	0.16666667
6	C12 H16 O6 N2	285.10812	285.1086	0.10307395	285.10815	107274	115730	103356	110521	107825	74687	61698	104469	142088	63917	64813	86975	133231	36508	89095	129855	158627	216089	184329	76128	95013	132141	105399	121868	50063	5923	63346	37868	89340	82122	94157	101644	152521	101811	89372	89360	143907	86353	197171	57060	105397	108540	1212	419	429	71143	96337	0	106018	90657	111265	113092	116645	718	182871	73951	74826	124205	89387	114595	128886	47119	160936	118413	75013	138528	107944	194707	21993	26275	34022	86868	88052	82622	73087	80857	435	60917	74213	37429	58774	44465	49444	23029	90966	85212	91147	140162	129813	203752	71078	106882	220420	55999	57399	752	109046	104657	67362	63759	81203	151960	85319	100384	49206	143846	99046	344	60622	246300	Peptide	0.5	1.3333334	0.16666667
2	C12 H16 O6 N2	285.10812	285.10864	0.11282813	285.10815	37807	36086	27578	33763	57549	43383	16219	31288	59892	14389	16986	28655	81848	18986	21621	8003	30476	75730	63655	14318	30433	44823	29869	27896	9791	1626	2931	8729	33669	17578	36483	33913	61260	32489	24685	28408	44771	17156	30745	18238	21433	47713	446	0	0	16187	14623	0	32939	18130	35225	31499	56168	0	64369	31070	27222	41037	18532	21136	11383	10897	116903	72789	35288	82374	55406	40893	3022	5727	5769	32148	34419	25000	3633	28674	317	19901	20851	7168	18132	11163	10727	5786	36823	24093	19509	65155	58577	50921	22537	26221	57350	14366	4160	580	33245	32410	31051	39385	37935	32652	25998	20284	12032	51363	33452	0	16817	150867	Peptide	0.5	1.3333334	0.16666667
14	C12 H16 O6 N2	285.10812	285.10852	0.21125445	285.1082	9686	12605	12983	14376	10397	10642	13676	17845	10014	0	4455	19476	8362	4604	21660	21951	24331	16683	10267	3320	3277	15052	15673	17708	13392	0	17576	0	15400	13501	12967	17619	23762	14909	3058	16656	17176	19004	30579	2044	3994	11874	0	703	559	5050	0	406	21199	12412	13149	10649	14945	715	8063	4100	9506	24391	5158	10667	27238	2433	5013	8554	9681	15927	12870	29223	0	1845	1856	13108	14291	13416	21306	15848	323	16223	12152	0	15174	3395	8981	1846	7239	8138	19397	19919	16377	35763	10751	11884	36111	6002	2543	714	14008	11658	3918	2685	4489	19095	16803	7059	0	28951	7500	531	19546	10794	Peptide	0.5	1.3333334	0.16666667
26	C17 H16 O4	285.11212	285.1125	0.16704302	285.11218	28145	23448	20475	21618	23077	15426	11604	21296	21251	23457	21648	16183	29090	16221	20941	20458	19673	21941	32604	30457	28125	28023	26426	23656	17786	31541	9351	23468	18243	19276	17180	18701	23577	13993	33365	16635	20629	15398	18609	26074	32797	27648	5428	6617	0	22748	16161	7260	19349	20476	24043	22520	22288	0	20088	20796	18688	22721	13881	14076	23026	13251	22137	17892	12078	26802	25301	17259	30061	34327	39294	15026	15520	16067	11715	21532	0	16213	29484	20021	22213	15658	13671	18999	22907	17846	49619	15943	19385	27031	20911	16436	31196	18771	24045	9513	17565	23736	17555	28868	23877	27360	16727	16201	11442	17916	16810	6347	24537	23652	Phytochemical	0.23529412	0.9411765	0.0
10	C17 H16 O4	285.11212	285.11255	0.051124826	285.11215	81356	71817	58968	59475	44632	31471	52776	78318	48312	71998	50892	51400	42518	27127	55591	77457	69292	51325	59694	86249	82513	81756	57153	89960	46696	101442	56815	43930	61195	64440	61189	67320	69133	49341	82310	59620	63717	48986	78139	80198	89070	40775	8637	6019	6933	65350	64691	7860	71223	64455	68722	76098	41783	5095	62087	40252	36362	76562	54125	67317	86671	41518	44306	47513	32523	44240	39392	73480	101676	110445	125297	59277	52444	58603	56524	71145	6077	49906	77729	44609	74166	56922	61077	45821	50773	38999	66485	34537	44091	91843	54598	50196	76011	53158	66894	8450	61182	67768	44576	51948	53721	58128	58710	72150	51633	62612	39057	6237	63475	50792	Phytochemical	0.23529412	0.9411765	0.0
22	C17 H16 O4	285.11212	285.1125	0.13896738	285.11218	127831	135825	109647	128568	143246	112009	60783	97958	112843	203035	185614	66389	124981	111837	92352	109368	82532	183217	128928	225089	231057	159606	104263	134110	97662	249747	59864	193718	106166	88098	89225	107296	114432	95884	219328	88740	134458	76598	76778	177453	186594	102533	26845	17203	19430	120986	117194	24335	102622	87592	121753	130109	120590	18031	111434	110491	83310	108876	92098	80592	122116	132563	130512	113330	75120	164624	121654	90253	185363	253338	267339	97861	74330	64424	53201	88531	12948	68121	114449	126430	104228	100430	87096	140234	133224	97149	126146	115688	109682	128680	120879	144358	153372	139769	185864	28729	106745	129575	105913	113634	123185	114679	80518	114829	92560	102251	94942	14292	92413	152180	Phytochemical	0.23529412	0.9411765	0.0
24	C17 H16 O4	285.11212	285.1125	0.15529649	285.11218	51146	51865	44699	46981	51513	41181	23664	44185	45439	60593	56051	32329	63833	46215	41203	46227	36772	69294	78530	75197	76211	55329	43774	59078	35367	83009	21421	61588	42938	35103	31722	40424	41503	34630	86528	38498	50557	27127	35533	64079	66187	41194	19222	12733	20921	55012	44769	12987	35200	37085	49132	49709	50494	19692	49584	46473	30574	45225	31745	31966	47367	41798	58224	40475	28863	72541	50804	33593	69532	79722	105941	39332	36472	33074	25919	37783	13308	32845	50704	52399	46245	39004	29386	51646	60523	40866	61350	37949	46019	49861	52561	46947	72422	48938	60280	16974	46573	50671	47359	55966	57296	42404	35450	46761	38850	41087	40385	12713	40656	59775	Phytochemical	0.23529412	0.9411765	0.0
16	C17 H16 O4	285.11212	285.11252	0.1225919	285.11218	256392	270490	245463	253397	224795	154691	171999	209508	198929	345983	253195	149611	211840	134237	176986	248367	214822	252875	300783	404646	401611	289167	198662	243773	165221	588099	154528	226953	195417	187748	197694	215596	248067	153400	381571	181324	235243	163139	220105	292129	341071	160484	13304	6126	7448	189592	221890	9719	237661	197727	259887	251793	196483	6546	200068	158147	145933	264332	172145	183177	231758	186597	244481	176226	112866	227298	177400	203579	468906	643866	706247	186453	193119	173396	171610	212965	6656	137147	260751	201295	197826	189097	181409	246550	219311	148995	245758	172553	184617	311448	254729	231317	358662	202937	286395	11691	241534	257494	173008	182655	199502	222471	152385	204599	123967	214218	170894	6018	194343	235715	Phytochemical	0.23529412	0.9411765	0.0
12	C17 H16 O4	285.11212	285.11255	0.08063968	285.11215	128550	146709	119304	137279	81436	61739	107258	125777	88866	122382	115530	77708	70414	44946	91627	153102	122869	93329	116092	166100	149950	160621	109109	144156	83876	212370	111173	86758	100723	103580	107222	125875	121882	87301	170631	98296	102425	95893	140180	127002	149441	74036	8697	5689	6297	118372	146583	7804	130058	123069	130791	147316	77724	5163	100566	71228	69461	146741	94319	140155	116668	81727	100309	79987	51246	86109	72759	128994	179949	229066	273056	94676	97891	104338	106221	128039	5036	84473	122847	79312	130824	105970	100232	94840	95185	67840	129012	64958	80278	180767	106175	110843	158821	96131	111768	9175	137922	138077	91286	85796	84354	127808	91612	113580	97421	113121	69739	4405	101137	102649	Phytochemical	0.23529412	0.9411765	0.0
20	C17 H16 O4	285.11212	285.1125	0.13463879	285.11218	229492	253813	231217	209207	234922	188145	101839	174400	188862	408241	327469	114665	275912	183354	160468	195980	142583	289567	326135	441872	428434	296792	159335	226010	147811	521214	107060	334300	171390	136693	137698	161408	204592	169579	427753	145690	225775	128182	131524	350641	376064	174474	22699	12994	10716	197656	220298	16140	185925	135225	227971	241881	199860	13683	197555	163949	134292	209401	147124	138844	207745	235523	242495	168582	113099	263764	207444	145926	400343	513344	603822	164985	152939	121802	119825	151691	10005	122532	204934	265820	156038	142006	141587	282715	201434	144490	207290	196194	192335	206326	272725	243108	290521	272315	301284	21980	221993	243078	188493	172334	195763	212825	130581	211642	144800	175958	157619	13281	153114	268842	Phytochemical	0.23529412	0.9411765	0.0
20	C14 H20 O4 S1	285.1155	285.11584	0.122929	285.11554	13666	11729	12581	12509	16724	16186	4659	2604	12098	22098	14264	2585	13680	6914	3664	9150	6826	22753	10530	26014	21360	26480	3961	5737	9768	1950	5164	13968	3902	2147	2886	6658	4704	13104	18953	7332	9692	2596	8784	23326	13327	7136	0	0	0	17212	17222	0	4973	1892	10559	11377	16900	0	2531	3797	3967	15903	21192	14595	10959	9863	2797	5966	5547	11654	11799	8941	0	4281	5460	3569	1172	1519	3331	3938	0	1399	6932	23101	1524	13797	14656	14166	7668	6375	11992	10485	10716	9071	86942	81058	7756	29164	39344	0	13056	9207	10500	5506	4735	10143	3622	21601	20125	8432	10530	0	9300	9599	Organosulfur	0.2857143	1.4285715	0.0
24	C14 H20 O4 S1	285.1155	285.11575	0.25246865	285.11557	1368	2915	1297	2401	2628	3837	1663	0	0	2575	1326	0	0	2160	0	2398	1412	3873	2273	6087	0	5221	0	3117	1755	0	1312	3548	0	0	0	0	1434	1262	3235	0	2046	826	2220	3413	3405	0	0	0	0	4313	2530	0	1262	0	2443	2909	1420	0	1837	0	971	2857	3606	1554	3067	3169	0	1270	0	3145	0	0	0	0	0	0	0	0	1355	0	0	888	0	4724	0	1768	2665	1878	0	0	1658	2023	1520	2027	20367	18505	3497	5294	6626	0	2261	3026	1798	0	0	1276	1085	3869	3507	1537	0	0	1155	2609	Organosulfur	0.2857143	1.4285715	0.0
4	C16 H16 O3 N2	285.12338	285.1239	0.10190268	285.1234	10012	11173	10631	10493	5320	6560	5948	9413	5142	19279	14824	5884	6276	6994	9293	12657	13108	8948	10669	20653	28361	11494	9082	12622	7453	34191	6544	15673	6286	6002	6988	7579	9722	6404	20821	7009	10668	6978	14998	14898	18555	6281	0	0	0	12707	23136	0	9257	7982	9857	8387	6013	0	5980	3476	4291	10104	1104	6312	11738	9672	5817	4217	4102	6471	6136	16262	22336	31419	39187	6304	5704	6163	9481	5894	0	6000	11770	20860	10121	5036	3196	12070	5418	4379	11205	8724	5890	26682	14767	8368	21584	14158	22294	0	10930	11151	4425	5112	4423	9103	6726	8698	8603	13432	3658	0	9192	7191	Phytochemical	0.1875	1.0	0.125
16	C16 H16 O3 N2	285.12338	285.12378	0.21136022	285.12344	10819	12856	17727	15041	10079	12685	13591	13094	7130	17900	19417	8698	3934	6883	9099	19778	19769	10809	14947	15231	15348	20031	10861	19399	15987	23703	9489	15680	9127	10604	13606	15746	24625	7680	9848	9584	26342	8141	21007	14504	25589	10915	243	0	0	11579	11437	0	14143	10829	14683	15210	10707	0	7936	2834	5651	15058	1737	12888	16898	7573	5121	9780	5882	7923	12196	28407	21560	13840	25702	11184	7669	5645	14613	10162	0	7290	15478	21511	10639	10462	6497	11508	6429	7341	16517	20647	14825	28183	17402	16753	0	15860	15659	0	16800	14862	3716	3096	4169	19546	7724	9400	4569	14154	3505	0	17115	8479	Phytochemical	0.1875	1.0	0.125
6	C16 H16 O3 N2	285.12338	285.12384	0.0851595	285.12338	17170	15605	16778	15375	9432	9066	8922	12688	6760	38753	31174	8676	4080	6949	11930	21933	15284	12026	13318	35370	45042	19091	11794	19237	12600	54296	8886	31510	14408	12076	13042	11343	18408	11453	36472	11958	15397	8703	20475	19138	27232	11435	0	0	0	21081	27555	0	18439	13029	18276	17869	8337	0	7698	3939	5434	18121	1818	9521	17445	11553	7254	7814	5588	7181	10751	24355	34292	51512	70567	11047	7701	6819	9977	10711	0	7732	13725	18841	11758	8263	4669	18534	6830	3604	17766	13125	10229	41702	18024	12496	33964	23509	35090	0	16378	16398	5610	3559	4760	18504	6329	10610	10495	18621	3894	0	12124	7912	Phytochemical	0.1875	1.0	0.125
14	C16 H16 O3 N2	285.12338	285.12378	0.15196954	285.1234	22626	27734	32528	41534	16450	14684	26818	24734	9806	31960	41858	16030	7629	11364	19104	35416	37370	14358	6783	41722	42348	38942	18796	40220	30741	61648	21382	29840	23700	24588	21998	19252	39878	23584	37750	22640	40936	21556	49130	38188	71812	20020	0	0	0	14186	34988	0	26272	24212	31942	19346	17822	0	13832	3643	10718	49620	0	34392	0	22682	13254	12636	10462	16166	20822	58554	55776	63102	92668	22026	15548	16798	27066	24826	0	20260	37474	35384	27708	19790	15398	29118	9053	10266	36108	21228	16972	153989	33224	31502	99918	43470	47336	0	16928	25924	3748	9198	9368	42530	17416	36368	0	56052	13122	0	41552	10440	Phytochemical	0.1875	1.0	0.125
10	C16 H16 O3 N2	285.12338	285.12378	0.09912249	285.12338	15487	17473	12212	12989	7666	8061	11794	12275	4830	32072	26803	9021	4848	8318	9998	18061	20310	8073	8472	27739	32636	15507	10077	22389	14396	42003	11437	29865	10526	8651	8665	11468	14663	9656	24570	9645	13736	8057	22346	23236	32935	9669	0	0	0	13167	22126	0	15286	11008	17705	16454	8952	0	4297	6200	5233	17175	2964	12693	17262	9698	6723	6137	5813	9058	8216	27108	27285	41679	52658	12668	8361	5967	12629	7601	0	6517	14528	19598	10428	8105	5023	15848	5036	3404	13244	11880	9873	31516	16274	9598	29652	21759	37427	0	12815	13147	5669	5018	5232	18988	6564	10248	0	17767	4874	0	11073	4423	Phytochemical	0.1875	1.0	0.125
12	C16 H16 O3 N2	285.12338	285.1238	0.1461676	285.1234	17356	14754	15950	14429	10873	9996	13743	13335	4799	19645	18121	10339	4250	9839	12535	22690	25326	8274	17455	22623	31104	18391	14515	25486	16018	34830	9627	14267	16145	10442	17111	18044	26969	13871	23851	10227	23876	14075	27213	25065	35992	12612	0	0	0	13376	16786	0	19372	12574	15421	15120	9596	0	11936	4274	7659	20948	7888	12190	0	10791	4410	5440	6912	7062	12753	27636	25357	34628	54558	13127	8641	12578	14297	8719	0	10857	17964	0	14176	10050	9032	15057	5418	4218	19954	16973	16316	47488	16153	18772	36658	24587	27224	0	19968	20848	6858	3274	2521	23121	11067	10493	0	23004	4782	0	19736	4913	Phytochemical	0.1875	1.0	0.125
8	C16 H16 O3 N2	285.12338	285.1238	0.080045864	285.12338	17942	19057	18634	17771	8121	6762	10294	18838	8937	37347	39335	10080	5779	7715	11452	28879	22160	7249	10439	34728	37484	21158	11471	25565	14644	43808	15886	39688	15166	14494	13688	18722	17703	13670	35108	13831	18539	12135	23202	22631	35005	9182	0	0	0	17499	29489	0	20439	16809	16579	18078	8052	0	6161	4512	6998	19928	3411	9512	21852	14348	6801	5779	5227	7165	8929	29470	32401	48181	67718	17635	13319	8229	16979	15696	0	9317	17266	59174	15280	9182	4395	19160	6648	4171	15239	11955	11387	36400	97132	25438	38031	32197	35859	0	17576	17969	7032	5476	6537	21790	11282	9928	7067	19562	4185	0	13849	7275	Phytochemical	0.1875	1.0	0.125
18	C16 H16 O3 N2	285.12338	285.12375	0.20168489	285.1234	5463	5916	7488	7689	3171	4545	9930	10194	2484	9285	12117	6424	2244	5144	8010	11348	8734	0	5487	10666	10263	15616	8332	16256	10338	9319	14940	16078	4885	6472	8495	6846	13356	9346	7064	7284	14612	6412	12599	12073	23996	6657	272	0	0	5621	7651	0	8741	6865	8496	9894	6233	0	2791	1770	4366	11757	2765	6517	10602	7511	2846	0	4488	3699	9732	19291	12183	7806	17932	7260	5339	4328	7469	5971	0	5399	7967	15501	11700	7485	4746	11163	1438	4663	18442	13260	9050	24985	20874	14362	15824	9802	12926	0	8803	7974	3323	3343	2430	12427	4945	6949	4842	16565	2690	0	13736	2074	Phytochemical	0.1875	1.0	0.125
18	C19 H17 O1 Na1	285.125	285.12537	0.62949586	285.12515	0	0	0	0	1315	0	1646	0	0	0	0	0	1922	2375	0	2045	1688	0	0	0	0	7956	0	0	0	0	2761	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1292	0	0	0	0	4498	0	0	5013	0	0	0	0	0	1075	0	0	0	0	0	2944	0	2361	0	0	0	0	0	0	1380	0	0	0	0	0	1177	1830	30774	0	0	16010	0	0	0	0	0	0	0	0	0	0	0	0	4877	0	0	0	0	Phytochemical	0.05263158	0.8947368	0.0
28	C19 H17 O1 Na1	285.125	285.12524	0.3277337	285.1251	1522	1506	1408	2035	0	0	0	0	0	0	0	0	0	191510	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	886	895	0	0	0	0	0	0	0	0	0	0	1112	0	79814	0	4043	0	0	2516	1271	0	0	0	0	0	0	0	0	0	0	0	1166	1152	0	0	0	0	0	0	0	0	0	0	0	0	1260	2687	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.05263158	0.8947368	0.0
22	C14 H20 O6	285.13327	285.1336	0.15653989	285.1333	38178	39820	32605	42160	46955	40517	37030	44414	54049	28987	20536	27225	52316	32335	40937	41744	31706	68045	44747	34655	23637	34460	42824	42254	41077	16457	33320	21202	54695	38447	39489	44409	57595	45093	32284	47536	53892	34033	40727	27466	15139	32216	11119	9141	13260	28618	10616	11364	54141	31601	39891	40513	43345	8979	73509	46165	30223	46741	27887	16318	36217	15168	50246	46876	23507	50798	36714	33146	11885	27691	13920	49652	40491	42046	28997	45162	9246	32474	40860	18434	29784	19692	39631	24478	41080	31881	32281	36155	42584	33548	50174	44610	51096	17267	22324	11591	37796	47613	29751	42555	46419	62909	35438	38211	15602	39747	33277	9954	32414	52588	Lipid	0.42857143	1.4285715	0.0
18	C14 H20 O6	285.13327	285.13364	0.109964415	285.1333	319052	278702	295090	269939	468450	425605	289205	264046	445662	231537	141250	142834	761112	374338	301113	238587	185039	748947	691494	283916	212799	176074	225644	194239	253941	80119	211852	175108	396412	258443	273885	353220	506315	332419	239910	360798	525629	230256	200704	174679	99354	319511	25357	8191	11652	139667	82775	10390	342186	206772	288395	290410	412420	10668	845229	428000	244530	313434	239815	93491	270639	112463	518527	456485	222963	523944	378890	195464	76283	120108	93816	248333	249415	311917	180864	296181	8402	197735	202831	108226	147358	112630	266936	165074	349275	313031	238512	249626	365337	145526	340111	389639	237266	95136	171340	13292	312323	309934	314032	372803	406845	429509	178353	284511	86812	204029	355566	9754	170646	607722	Lipid	0.42857143	1.4285715	0.0
6	C14 H20 O6	285.13327	285.13376	0.02800626	285.13327	76200	149932	64003	153916	109628	86610	135162	89914	144278	93796	79474	117264	86837	40769	68992	191160	88868	156526	94028	123888	61552	84461	147278	187114	44529	27761	55342	27762	85361	83342	142304	167136	180500	63503	60368	90396	86482	67238	105932	66948	87626	116822	6658	3572	5364	140220	139606	4732	91904	73924	158360	75575	58732	4255	216994	168874	50140	102570	66827	69388	97374	56612	76668	124572	71992	71402	64419	215382	39870	36998	41740	107754	71452	88596	111530	140600	4024	52331	171040	33066	131024	52648	76748	66130	80186	124738	82392	91254	113408	115189	59381	72758	224186	91446	118884	5797	145900	75174	55674	179620	247880	103080	120616	168346	41932	70661	85730	3957	109682	82325	Lipid	0.42857143	1.4285715	0.0
4	C14 H20 O6	285.13327	285.1338	0.060869593	285.13327	49326	54240	21918	50352	35476	26898	37838	54808	48272	14611	16339	19462	44334	18765	22277	53680	60922	27282	50684	34928	33140	63074	47516	53636	31728	17586	35134	10394	46842	23000	49776	24080	53014	32886	47930	54004	51878	49232	67698	31670	35606	47104	5330	4538	7914	52568	46422	5827	52940	50630	46074	44312	41590	5411	29999	50138	37518	55774	41360	42430	64734	17620	48500	21609	16640	43700	27316	65168	14141	9667	13045	21193	23065	30355	26352	27740	3656	18317	48410	8347	54632	39884	25586	22252	26041	35032	45998	29956	46150	53216	20732	38666	61128	31372	34190	12373	43000	55468	46566	33479	66180	58930	44330	51808	21459	40488	43202	6145	37110	48890	Lipid	0.42857143	1.4285715	0.0
0	C17 H20 N2 S1	285.142	285.14267	0.54661614	285.14215	25663	24889	26811	26282	4808	0	3676	1954	622	11530	6086	7160	2525	0	3840	0	948	4292	3013	0	0	1837	0	24259	0	0	0	0	1411	4578	0	0	1718	10124	0	20091	4076	3824	0	7278	1619	0	3488	0	0	1659	4886	0	73075	8636	20757	25550	2119	0	801	0	3917	2640	0	4497	2934	0	0	2369	907	10479	0	0	0	0	1671	5258	3092	4119	0	0	0	5918	0	5174	1438	0	1366	0	0	1183	0	15862	1866	721737	4604	44327	11847	20012	0	0	21652	26516	503	0	1301	9933	0	3574	15994	6076	0	0	0	2230	Organosulfur	0.0	1.1764706	0.11764706
4	C13 H20 O5 N2	285.1445	285.145	0.031902667	285.1445	90530	101131	93669	86743	86766	65193	52189	86757	113191	50929	37576	60438	117307	32330	75396	96109	124648	142032	148095	66893	67400	140304	76842	95609	53379	9343	51230	26839	73292	66927	83347	79849	123728	70560	82507	80414	105037	73361	169603	60750	88474	76701	1265	293	369	75763	102208	432	86284	81776	93284	74113	90502	526	140734	69158	55360	98702	86764	109313	93950	47400	148251	106912	42439	103029	65435	124084	20213	21443	26332	70205	66071	74740	50802	66530	0	57101	68205	39021	60986	57015	62689	23574	93805	67752	72774	78864	85383	142750	108294	140297	190304	49316	59170	1295	79487	98734	69943	74595	69771	107911	66418	109499	60884	101034	82168	420	57911	183598	Peptide	0.3846154	1.5384616	0.15384616
14	C13 H20 O5 N2	285.1445	285.14487	0.10700439	285.14453	19938	13797	14497	17175	15287	11995	17142	14407	12311	0	6121	11462	13798	6725	15517	20992	17707	16466	18416	5852	5435	24777	14226	23653	15358	1812	12620	10980	16239	13569	18011	16850	20160	17909	10624	14301	25110	11753	20396	9320	8214	9845	0	565	698	8684	9039	387	16396	12744	24281	16856	11233	605	16876	5822	9834	25429	12611	14874	19234	4917	10014	10298	7323	13668	13158	22446	0	4980	0	15423	15809	11840	15276	13655	361	14539	15100	0	10318	10064	13631	5406	13415	8650	22267	16900	13887	53526	49542	51070	43086	10966	12052	853	15636	17823	8303	7980	11336	19955	10638	19157	0	29027	8478	572	19006	18090	Peptide	0.3846154	1.5384616	0.15384616
12	C13 H20 O5 N2	285.1445	285.1449	0.04874116	285.1445	48819	52798	54015	62831	36052	27567	48552	44227	30919	21511	14756	29550	28764	15114	45413	65565	56920	49539	48003	37134	27657	83566	45236	61485	47751	4276	43974	26956	54351	40343	42730	51022	65708	50824	33895	47633	68547	39068	67096	25384	31657	27508	1089	482	315	47465	47449	580	57889	44639	60825	45980	35243	594	48765	18674	23584	71129	32877	36709	57814	12727	36437	32928	19090	38488	28651	65298	0	11613	11478	43496	46471	44339	41551	40785	393	33356	48486	47160	36396	37214	37520	16006	23691	26407	53950	34092	28144	142449	274051	182172	170926	29037	37573	512	67050	57387	20293	21046	20925	66022	33168	41816	21123	94080	29366	403	51079	48970	Peptide	0.3846154	1.5384616	0.15384616
2	C13 H20 O5 N2	285.1445	285.14502	0.038891252	285.1445	166731	176252	140409	160677	172273	144571	69519	154557	197540	87098	68266	123936	244985	62276	106176	87092	189174	279917	286209	95790	133951	238349	122306	150605	62919	6252	35984	44406	167387	103703	170527	160720	285492	149015	142242	154238	232845	115099	200727	107305	84916	145132	659	0	341	81718	72365	0	165776	94631	151810	161799	179327	403	228554	89807	79944	217294	90152	95078	104068	42860	290659	193328	86021	221345	183018	259643	17551	34892	29670	140919	157051	128129	44379	129987	310	108877	104445	49229	81831	40645	52731	21405	125817	85447	118457	164394	198045	321626	217648	247601	360547	69916	57975	705	154719	163174	116915	112121	109479	178252	110283	145540	48009	239248	122840	0	104195	376987	Peptide	0.3846154	1.5384616	0.15384616
22	C18 H20 O3	285.14853	285.14886	0.08746213	285.14856	474839	472828	382450	431333	410387	359650	265992	473841	313262	579082	601691	301740	309875	325078	366711	529761	443505	459770	414667	773943	756267	473695	332796	513427	355599	955037	259316	551853	481014	443909	394952	487384	539719	504062	619821	474766	562798	301004	406151	553066	611477	379285	73765	24133	18713	374768	372975	15400	498940	421211	442992	442619	387376	34829	327073	296643	267390	519058	306890	332859	504880	402096	335456	280007	208863	420491	420923	450826	730386	914567	1022812	419767	382306	378514	327948	447569	8228	284268	365684	389792	323048	269510	315738	440050	341800	281275	412398	435835	396054	502871	473947	448795	523632	418577	520809	55211	388092	444048	311739	356828	322805	605137	309829	491807	265763	438063	276459	11571	347619	373995	Phytochemical	0.16666667	1.1111112	0.0
20	C18 H20 O3	285.14853	285.14886	0.08001469	285.14853	525589	572901	522203	462986	432804	396073	348184	571074	348362	613030	498036	372301	443132	370765	429906	624601	581604	441252	555984	778431	785610	490575	393604	597979	386250	1247456	384000	500523	558792	506942	426786	553662	644951	535775	625198	514238	637090	358248	546413	598468	717203	427180	40367	15492	11462	393966	406958	13103	574507	483183	503809	529506	415025	23005	349094	344799	302101	613092	333309	399216	555347	368958	373481	315130	239802	459611	417188	598568	922516	1059109	1385183	463440	479648	490110	561480	552199	6436	333540	466662	430822	385574	250649	377865	457364	402956	302082	500320	485144	458841	597230	527027	480660	676806	399205	464817	36245	515262	523203	354044	403416	460992	696686	373992	572949	276013	538445	311991	13164	427570	415323	Phytochemical	0.16666667	1.1111112	0.0
24	C18 H20 O3	285.14853	285.14886	0.11710596	285.14856	256322	257266	216249	237238	266629	184267	139523	239738	177026	319880	364261	156662	251036	199638	193168	258949	188041	265625	333890	467575	440135	261279	185690	273623	171622	424593	127808	383980	226754	231098	194688	251212	284234	235451	371520	260367	311462	148934	202886	311913	325119	191885	26584	7269	15892	208706	177235	13137	252148	217949	241052	230775	223964	18986	183152	164677	140310	271559	175440	155716	263576	224491	187424	157706	109426	277514	261126	203806	322904	325566	387331	238889	217630	206149	154995	226867	14017	168402	205260	238427	160868	162287	167277	264063	198594	137499	225691	201758	213647	211032	238204	232604	321904	242615	294616	16201	230355	249765	186907	191148	204309	297210	141518	304542	165780	237277	161722	10716	181701	204098	Phytochemical	0.16666667	1.1111112	0.0
2	C15 H24 O3 S1	285.1519	285.15277	0.8001731	285.15213	0	0	0	0	0	22928	5260	0	0	0	0	0	0	0	0	7801	0	0	0	0	0	0	0	9063	7022	0	0	5407	0	0	0	0	0	18218	0	11548	13129	0	0	0	0	0	0	0	0	0	0	0	0	7606	0	0	0	0	0	0	0	0	0	0	7603	0	0	0	0	0	0	0	0	0	0	17929	11724	11958	5062	0	0	0	0	0	4840	0	0	0	0	0	0	7368	0	0	0	0	13382	0	0	0	0	11746	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2	1.6	0.0
24	C15 H24 O3 S1	285.1519	285.1522	0.07377424	285.15192	3123	4295	4950	4982	5920	4029	1221	0	2093	8255	5736	0	5774	3942	1916	4075	1880	15968	5589	9976	5741	8963	1494	1329	1488	0	0	6662	0	0	0	2610	1272	0	6993	1226	3739	1573	2419	3780	2216	3079	0	0	0	11869	9504	0	2589	0	4227	1502	5919	0	1597	0	2137	4333	6353	4777	3306	1801	0	0	1969	13455	13323	2144	0	0	0	1029	0	0	1747	1358	0	0	1864	7516	0	7674	4477	0	1904	0	3843	2572	6040	5222	67121	40230	4061	9841	13126	0	3653	4354	4730	1419	2147	3069	0	7884	10145	2116	5923	0	1327	2145	Organosulfur	0.2	1.6	0.0
22	C15 H24 O3 S1	285.1519	285.1522	-0.044815935	285.1519	14146	14053	13471	11598	36324	17430	4018	3662	11297	13878	9642	1700	13789	12158	1459	5988	12986	60989	23313	7243	10128	11685	2183	3481	8058	0	4219	12133	5270	3440	1831	5102	9352	6889	9112	2032	5651	2134	12756	2094	4505	12286	0	0	0	7162	19746	0	4943	1791	14344	10587	25678	0	8373	6396	12732	10035	3285	9754	8207	1221	5547	6428	11601	34495	41687	14331	0	0	0	2462	3470	1773	5926	3366	0	1852	6546	23298	1977	8950	4393	2106	14345	13197	11404	16006	15639	23530	211053	88721	7898	20796	25678	0	10480	13001	20761	8271	9760	11215	3286	6374	9846	9235	17412	0	5721	14469	Organosulfur	0.2	1.6	0.0
14	C17 H20 O2 N2	285.15976	285.16013	0.222939	285.15982	4193	0	0	2978	0	0	0	3447	1211	0	6083	5945	1634	0	1837	5921	4543	1360	0	4599	5823	0	2319	5193	2683	11405	3047	37899	5152	3940	6085	0	2366	2388	3904	4301	5540	2875	4236	3679	0	1867	7128	0	0	3562	0	0	5753	4725	4187	0	1800	0	0	0	2000	6497	25181	0	36937	0	0	0	1419	0	2113	6277	80462	8422	11695	3118	2401	1496	3517	2503	0	2881	2097	15367	1226	1398	2932	4824	1245	0	2451	2122	1998	10904	5538	4571	7881	0	4243	510	3367	6363	2856	1291	3704	4253	4758	2849	0	7589	1022	517	3589	0	Phytochemical	0.11764706	1.1764706	0.11764706
12	C17 H20 O2 N2	285.15976	285.16013	0.053655423	285.15976	7905	6783	7899	9495	0	1978	5339	12067	0	5861	10667	13667	0	1234	3282	20548	8231	0	0	9198	5036	0	4298	96364	233906	12331	11181	9562	11835	9978	8350	8696	9262	10203	6838	10000	9374	3829	8086	4226	5037	2587	0	0	0	16178	0	0	11490	10737	4510	6731	1289	0	0	0	2702	10252	0	0	0	0	0	0	4200	0	4147	10086	0	9054	11779	11637	7950	8088	7143	6983	0	12175	9565	0	5607	1319	956	7656	0	1862	28395	3147	1145	203837	21804	0	80083	6009	10950	0	12166	8983	0	1684	2301	8846	11056	0	0	30451	0	0	174645	0	Phytochemical	0.11764706	1.1764706	0.11764706
8	C17 H20 O2 N2	285.15976	285.16016	-0.025740005	285.15976	6754	8424	6309	6943	0	2674	3596	9272	0	8504	6760	5951	0	1506	4441	14315	8492	1034	1139	16137	12153	3541	4479	20300	17726	10086	5188	10876	8187	9747	5991	11243	7224	8170	6710	11043	6776	4926	7537	7553	4101	2543	0	0	0	9379	15646	0	11192	8457	5792	5212	1867	0	0	531	1317	9611	0	733	7290	1564	0	0	0	1137	2825	11995	6457	10653	11382	11602	9792	7328	7513	8044	0	6459	5901	32386	4776	817	0	11942	0	0	8221	4342	3581	17974	33080	0	17559	7125	15556	0	8151	7966	0	0	0	6748	5486	3743	0	9169	0	0	16175	0	Phytochemical	0.11764706	1.1764706	0.11764706
6	C17 H20 O2 N2	285.15976	285.1602	-0.024172354	285.15976	8287	9209	7525	8196	1685	2863	4786	12072	954	8660	7387	6092	1428	2189	4847	18113	8686	2478	3003	11005	11464	3222	7441	24874	6590	7383	5387	9717	10191	13219	11258	12694	13361	14532	7398	10977	15479	7453	11131	3617	3216	4467	0	0	0	9156	18553	0	17174	8408	7743	8234	4339	0	1163	661	1499	22888	0	1127	17832	2062	878	0	2033	3021	5777	14970	3926	7614	7180	11003	9870	10041	11112	12450	0	5954	7638	6391	10678	457	510	5999	0	892	9627	6752	6733	44004	19121	1383	24017	6508	9942	0	7710	9631	703	0	0	13800	5369	4218	8035	13157	0	0	8669	722	Phytochemical	0.11764706	1.1764706	0.11764706
28	C20 H21 Na1	285.16138	285.1613	0.007579731	285.16138	0	0	0	0	0	0	0	0	0	0	0	0	0	29730	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	985	0	0	0	0	0	0	0	0	0	0	1213	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1059	0	0	0	0	0	0	0	1027	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0	1.05	0.0
2	C22 H20	285.1638	285.16434	0.18470414	285.16382	5175	5056	4585	4746	2616	0	3112	10638	2759	6532	2132	2854	3247	1295	3817	2795	4452	8774	4492	3506	3728	5593	3924	4544	2800	706	1591	3930	5288	3089	4090	10122	6159	4531	4204	4391	5079	3327	7627	2922	2749	0	0	0	0	2231	6314	0	11302	2806	4291	4439	2707	0	8160	1352	1478	5307	1054	1810	2856	1352	3168	2863	0	3205	3285	8210	1074	2038	1457	9362	3585	3764	2630	2792	0	2720	3469	7035	6330	1436	1460	1052	1702	1950	5020	7328	3256	10931	18095	25427	10808	3886	2102	0	4275	4231	1366	1106	1902	4846	7322	4108	1372	4142	2200	0	2608	4593	Phytochemical	0.0	0.90909094	0.0
18	C15 H24 O5	285.16965	285.16998	0.06989972	285.16968	137630	130416	136764	134091	147544	129466	372881	150385	78987	66697	64537	83176	143541	211496	129681	201847	157967	173920	161036	81971	65892	81797	93430	105548	123134	66849	269033	109866	214477	174818	143194	199100	196551	219663	61754	199023	206580	100720	170670	39083	39675	131896	25552	2670	3386	70506	52289	3942	200886	125552	132673	121324	127808	6405	131914	108276	95887	222241	66218	54121	191191	22799	136294	90666	155775	208232	208145	168645	21409	28273	32061	129974	154810	192967	165817	156542	2828	88994	102049	179816	71675	68356	406045	287165	117403	121507	137320	119958	145671	161982	194742	174903	160351	59977	69329	5371	128799	150293	98583	158666	184026	221948	83759	113716	51835	135774	100694	3156	104580	104782	Lipid	0.33333334	1.6	0.0
26	C15 H24 O5	285.16965	285.17	0.21491934	285.1697	6940	6985	5433	8101	9594	6507	23620	6019	5850	5054	4388	4901	8171	12258	6001	6338	7383	7961	11101	6582	0	5063	5759	6694	6890	0	15845	6638	8926	9614	6907	9597	10973	6122	5393	10025	11343	7266	10729	2884	2385	0	0	0	0	0	0	0	8543	6629	8555	6523	6148	0	10558	10451	7551	11054	5666	3842	8960	2694	9523	5098	7081	12872	6726	7814	0	2493	1602	5621	7796	9469	0	12154	0	4931	5808	0	4889	4291	14046	6844	7246	0	7929	6272	7657	5700	21210	12515	7584	1997	0	0	6755	6778	6063	9975	11854	10077	5778	6391	7318	6155	4489	0	6661	6707	Lipid	0.33333334	1.6	0.0
22	C15 H24 O5	285.16965	285.16998	0.12307765	285.16968	81619	76026	72233	72483	100833	90869	125846	79200	72621	56585	39462	37619	85506	649697	89400	62636	56376	127324	111518	55815	45739	52240	44480	46756	78292	15685	96694	84083	114595	80420	71887	102280	108026	92871	57390	95900	118930	61940	58531	27232	18082	68359	25551	8632	8523	43513	23308	8585	94781	63923	76449	69802	85341	13992	114708	77601	61326	86402	63534	25789	86839	26039	186562	69442	150450	129897	166503	50693	8805	21332	11723	61843	69899	96218	45634	83721	7050	49576	39301	75479	28396	41330	104530	64140	70025	73505	73080	59402	84068	54131	192833	173674	73900	34147	46776	12229	75688	88668	65806	73487	86299	113671	47753	73187	77173	68226	77012	8786	49581	116411	Lipid	0.33333334	1.6	0.0
10	C15 H24 O5	285.16965	285.17004	0.007745496	285.16965	22034	21378	17557	17904	20461	12239	27084	26421	16377	7951	3229	14450	27252	24502	22752	35854	29747	19041	18867	11288	6422	22810	18915	28448	19656	9147	33249	8382	29807	21438	18036	22331	22933	16968	9815	27058	20855	15262	37102	4879	7357	14804	3285	696	665	14894	11905	1171	24741	21819	22268	21301	15268	454	19031	27485	12516	34945	7711	11442	30734	2903	16899	12184	11349	22177	12727	28999	0	5977	7290	16943	18391	30993	33043	22958	622	14236	27676	11022	19271	14116	35700	27440	31579	19803	36560	11555	11308	52640	20009	21685	42651	10094	20152	1750	21486	24238	12040	46709	59393	22003	13996	15165	0	24975	25058	835	19249	18218	Lipid	0.33333334	1.6	0.0
24	C15 H24 O5	285.16965	285.16998	0.1370207	285.16968	23318	19740	21578	19496	18681	19011	47315	22643	15939	13135	14039	15026	24732	40175	19213	21667	26156	23424	27821	10539	11633	13173	13711	14803	13508	9370	35918	45961	23883	26635	22735	29985	25924	20435	16050	29603	26876	14672	28393	6884	4478	13397	7627	2957	8497	10663	5748	4190	27466	19883	20906	19503	19059	7603	27828	18068	13030	27261	15630	8018	23680	5441	24126	14582	28972	34709	31184	20843	2038	3459	3383	14804	20068	25265	14670	26929	5934	12958	14794	37514	9123	9618	34992	17563	19257	15657	18870	11338	18337	13960	82159	75260	21906	12403	11213	4017	19813	23631	14484	18748	19873	31461	15091	15033	20330	17575	16995	3321	13247	22573	Lipid	0.33333334	1.6	0.0
8	C15 H24 O5	285.16965	285.17007	-0.020069474	285.16965	13619	10063	8868	8950	13656	5638	10001	11518	9123	3162	3276	7012	22288	10279	8288	15553	12534	7266	10850	6022	7486	17659	8743	12046	9699	4628	10957	3568	8636	13732	9533	11449	8552	5822	7426	10813	8122	8779	14114	3011	3457	7019	1234	589	685	8607	6980	657	10736	9912	10609	10013	9547	651	12134	14816	6527	14448	6045	6734	13572	2153	9961	8926	5194	10225	6399	10064	4795	3263	4830	5793	8721	10998	10485	9318	463	6441	15326	5795	9172	7644	14196	10035	18378	8843	13853	3476	4949	41108	0	15010	28530	8028	13551	768	9865	16137	7631	31602	38678	11883	6539	7038	0	11330	14296	523	9117	11454	Lipid	0.33333334	1.6	0.0
6	C14 H24 O4 N2	285.18088	285.18134	0.0302807	285.18088	22190	23624	19989	24229	16556	11372	14961	26288	11793	11035	5700	9998	14584	9280	14265	28059	15224	23262	23113	18364	14072	39649	14871	33415	24015	3584	15187	5883	23006	16773	25123	27099	33752	21635	21234	21811	33562	11865	22946	11164	13480	12909	0	0	0	18080	14991	0	28368	19145	25062	22764	16226	0	16402	5195	8678	41890	4599	6512	33541	6357	19350	9235	5985	17498	16805	24339	2825	10688	6193	18434	20459	17314	14835	17099	0	12439	21208	11465	11595	7221	6569	6539	7420	7780	28477	12124	14609	90778	48976	38318	74449	9458	15276	0	20603	21100	6433	6770	6901	26274	10748	22978	0	31582	8029	0	25383	24143	Peptide	0.2857143	1.7142857	0.14285715
12	C14 H24 O4 N2	285.18088	285.18124	-0.006317007	285.18088	4518	10515	11488	10132	4884	3258	3047	5203	1633	3821	0	3144	3229	2279	5372	13543	5766	3338	4137	2167	2673	10266	4167	8117	6502	0	4329	0	7806	6879	6261	8232	10336	5311	1625	6701	8926	4449	9595	4978	0	3959	0	0	0	5180	4685	0	7577	5881	11563	9021	3796	0	2152	1147	1090	16184	0	0	0	1819	1729	1352	1660	3851	3520	8862	0	0	1893	5524	5346	6364	9097	5987	0	2773	4768	0	3429	3258	3225	1351	2206	2093	7170	4145	3424	15333	247426	90320	16606	4985	7075	0	7272	12149	1457	1811	1993	38158	3532	4344	0	11595	2760	0	7205	1757	Peptide	0.2857143	1.7142857	0.14285715
20	C14 H24 O4 N2	285.18088	285.1808	0.18285325	285.18094	0	0	0	0	0	0	0	0	0	0	0	0	0	3518	0	1796	0	0	0	0	0	1600	0	0	0	0	0	32224	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2606	0	0	0	0	0	0	1600	0	0	1482	11131	8625	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.7142857	0.14285715
14	C14 H24 O4 N2	285.18088	285.18124	0.07192399	285.1809	8171	8349	3821	5612	3573	1831	4165	4215	0	3441	0	4231	4126	1429	3772	9552	10230	4001	1867	1972	0	7189	2876	8699	8675	0	4743	0	5349	5122	7215	0	5120	5232	3320	5974	6961	1913	10366	1415	4212	2134	0	0	0	1498	4759	0	7239	4531	4878	8214	2591	0	0	1229	1553	15758	0	0	0	0	3067	0	969	3946	2186	9308	0	2027	0	5870	3765	4291	8591	3036	0	3158	3793	0	2899	3990	5924	2001	2826	2632	11783	3078	3619	21558	41198	22492	23291	3546	6991	0	7373	4549	1276	0	0	6863	2813	6172	0	13331	2007	0	8404	2422	Peptide	0.2857143	1.7142857	0.14285715
8	C14 H24 O4 N2	285.18088	285.18127	-9.14498E-4	285.18088	0	19743	19558	28675	8263	7259	8405	12936	7590	35545	38698	5731	9173	4706	10349	15099	10582	10106	10110	40175	20846	38731	7944	19850	12989	1825	8195	68965	12482	12122	11820	18235	16733	12701	23440	11352	18723	8622	14393	42196	19917	6837	22241	0	613	59007	45161	0	15989	9491	21679	30967	8659	0	8038	4402	0	23698	38854	20220	76173	44664	15899	11613	0	9455	7368	15293	78705	50363	74311	11054	10381	10070	10220	13185	601	7788	12816	69548	6126	9375	5092	4140	4199	0	15527	8202	9302	39921	0	30278	41450	0	25937	0	31064	23365	21200	5891	4133	16487	6686	59391	364092	23111	4895	547	13918	14075	Peptide	0.2857143	1.7142857	0.14285715
10	C14 H24 O4 N2	285.18088	285.1813	0.06770716	285.1809	10363	10478	8404	9415	6415	4694	4409	7739	3798	3216	1269	5932	6900	3391	5375	11793	8496	7657	7492	5759	5325	13540	6945	12059	7198	0	5800	0	8478	7337	7466	9327	14265	8404	5484	7184	13229	5110	13075	4573	4771	4195	0	0	0	6091	4859	0	9968	3679	9780	5690	5307	0	4931	2895	2209	16965	0	3486	10442	1425	3461	2623	3116	9089	4622	10720	0	2869	2697	9590	7064	6508	5321	6202	0	5634	5792	6933	3264	3148	2883	3324	2435	2171	6789	5086	4047	18119	26623	27139	28821	2970	6805	0	8609	10643	3117	2149	1933	11547	4726	6893	0	16449	3356	0	9725	8799	Peptide	0.2857143	1.7142857	0.14285715
26	C19 H24 O2	285.1849	285.18527	0.152296	285.18494	221723	229929	217826	208393	234273	132163	147510	288153	193439	142386	231977	178889	215000	164501	203372	324830	380075	189011	260294	241144	220165	219380	151708	231419	236567	328198	166083	267863	269778	325080	248296	302163	288726	211055	210343	366469	263752	199871	385054	194364	231260	811057	6420	7524	0	142945	138567	7589	282152	261370	230421	220470	193031	0	201738	260880	149064	329675	146774	137978	294681	125886	163525	150126	99295	204277	231463	417308	267255	228540	261893	168731	218211	358721	247812	318257	0	192497	248723	265866	164499	138209	177481	171183	238432	166207	344707	163326	162976	308958	238965	216640	292154	215667	232675	8513	222851	249427	314842	325669	344725	372853	174530	232371	127371	219215	217864	5533	263469	129662	Phytochemical	0.10526316	1.2631578	0.0
12	C19 H24 O2	285.1849	285.1853	0.03492846	285.1849	14181	12896	10251	10330	3892	4649	11593	9895	3723	0	7034	6945	0	5131	6365	13312	19429	3785	4515	5614	4323	6063	4633	8821	10386	6848	17766	0	9169	11908	6968	9540	7779	6739	2422	9532	4815	8981	23199	4427	6348	4389	1497	1485	1350	5694	8365	2131	8133	9323	8010	8440	3911	1066	2610	3634	5763	10662	7596	0	0	2273	3281	4553	3988	1963	3057	16086	0	3942	6573	5176	8948	8589	17895	12266	1010	5699	10455	0	10272	5952	9003	1939	8792	5974	10990	3377	4797	25670	10090	7365	10455	4761	8626	1163	11281	14033	5270	10000	9414	10246	6606	8313	0	9060	4635	1423	14616	0	Phytochemical	0.10526316	1.2631578	0.0
16	C19 H24 O2	285.1849	285.18527	0.047412686	285.1849	54282	55971	53518	56676	37142	27781	72353	63250	31497	19515	20042	46262	26048	32411	52539	79955	130317	24555	48097	42836	34273	48540	45559	60126	53266	41140	85637	22445	58823	63930	53534	65729	69625	43257	24550	74787	59067	55321	140045	28149	52311	36556	2321	1947	1314	30160	37393	2033	76559	60926	54875	59441	36162	1838	34130	43110	36510	81348	29541	60520	55208	17021	29272	28890	31928	28669	34239	123836	41946	42219	56882	39097	46801	71959	107213	65215	1474	36083	85926	40627	59698	34287	53696	39490	63966	39826	82357	34264	38491	169777	49680	46431	63881	30579	42679	1904	54004	57417	52884	77783	88104	68343	43567	42847	21479	56324	46346	1888	76299	23564	Phytochemical	0.10526316	1.2631578	0.0
28	C19 H24 O2	285.1849	285.18524	0.079355724	285.18494	39834	36221	35496	30699	38856	20546	29505	55549	28841	20841	25862	27495	39826	34478	34489	49633	46572	29679	48841	29212	24275	30002	35988	40578	40893	41565	32969	31499	50314	57455	44184	48985	52536	38254	27624	67749	43271	33134	44959	23027	22763	45178	5361	3304	5759	23683	16468	4667	45176	53097	32748	32443	34412	5396	33299	44231	24515	58340	25547	17395	52366	15874	25455	24010	16503	38707	42911	51879	33051	32254	33144	27322	35726	56784	36648	54642	5752	31186	47905	35034	28762	15643	29262	24225	43875	23995	78167	28428	26903	59732	33560	39284	52487	27966	26121	4163	32946	33967	38884	73146	78128	59865	30943	35714	20476	44488	37388	3530	36431	18582	Phytochemical	0.10526316	1.2631578	0.0
20	C19 H24 O2	285.1849	285.18524	0.065322034	285.18494	250202	294473	241718	227940	200956	153818	314767	318349	172147	172032	165036	241198	168505	187415	253264	456396	610428	150979	223027	236699	232805	219394	199784	288444	242862	362181	337075	173259	291213	292927	223774	322425	339691	247277	195759	323787	308460	228915	599493	179333	270199	196480	10025	3526	1929	165380	203026	4265	318935	274254	251670	266341	179519	4676	191835	216513	186849	389684	156101	267157	322816	116103	177456	169889	146870	199707	198961	609430	266305	276371	412693	195203	255513	315650	595546	344859	2290	194106	330238	215044	242675	127145	235224	185378	264543	197025	372482	213001	208926	568684	276053	236876	363898	171169	197718	3795	265675	269631	274635	330445	385159	388510	228795	256414	137820	297996	223585	3205	304491	149715	Phytochemical	0.10526316	1.2631578	0.0
18	C19 H24 O2	285.1849	285.18524	0.0615885	285.18494	131661	145158	133239	124843	94991	74637	159818	153588	73256	81811	76964	125581	92860	87963	117167	209396	303168	83804	112963	96109	97066	109717	113704	151387	117171	126180	179529	83822	165703	166106	140894	188073	165525	129485	86209	179150	147723	122232	345852	81800	128995	98930	5050	2095	1724	72932	92074	2638	164864	150557	126655	131328	98146	2174	99983	95440	85750	201666	73254	136061	155049	56613	86827	73510	79826	88603	97919	368907	113529	101011	168514	94653	107924	166008	286863	181853	1375	94693	185432	92511	142801	74516	116664	80500	135705	109103	190919	92386	100342	314459	126013	130052	193106	73196	92402	2604	136696	127052	117372	165532	191129	161373	99542	108980	45206	128234	92282	1952	155919	55790	Phytochemical	0.10526316	1.2631578	0.0
14	C19 H24 O2	285.1849	285.18527	0.03283255	285.1849	24672	26969	17179	20694	11634	11935	32482	26122	12681	7068	13571	20237	5882	8426	19119	39337	59589	8815	16326	12694	8878	16124	15199	22860	22534	14328	36371	9050	24371	26249	22068	24876	24174	17947	9438	28006	19901	20957	58747	12050	17153	12226	0	1052	1260	11320	16489	1946	22998	23653	25380	21222	12349	1055	13501	14447	19031	34863	9962	23817	25454	6539	8160	13258	12410	5666	11820	64434	17713	14993	18855	16599	15925	28425	41895	30558	982	19149	39513	0	25862	18603	29359	10710	23814	16762	35114	12212	15930	86963	22309	17480	34059	10731	15256	1736	23400	22842	16560	29095	28375	28674	24252	17992	0	29047	18602	1348	36662	4361	Phytochemical	0.10526316	1.2631578	0.0
2	C13 H24 O3 N4	285.1921	285.1926	-0.059609327	285.1921	6133	5791	6741	4993	1324	0	4626	16592	992	1672	2061	3603	1486	701	4286	7573	39572	1642	2409	1852	1584	4275	4737	11093	4633	0	3584	4350	15343	6920	10698	14317	13497	10606	1468	15220	10986	3766	45834	1320	1105	0	0	0	0	2508	782	0	13775	9839	5128	5154	1627	0	1713	471	1122	6294	0	348	7915	0	1009	1929	0	2211	2253	42562	0	857	1462	10416	8467	6253	23401	7061	0	3833	3477	17487	3401	0	725	869	829	1289	5089	2609	1978	11715	0	29085	11433	2072	1386	0	6562	7866	0	306	372	8613	3937	1237	594	8282	434	0	4625	1848	Peptide	0.23076923	1.8461539	0.30769232
0	C13 H24 O3 N4	285.1921	285.19263	-0.0284484	285.1921	2894	2662	3365	2043	1824	0	3249	4781	1788	0	1321	1901	2064	0	2456	0	5152	1813	1800	0	1141	2507	3885	2554	2667	0	0	2843	6151	2577	4233	2913	9328	4165	926	3984	4200	2797	4997	0	0	1956	0	0	0	1852	0	0	3163	2379	2053	1934	1259	0	1153	684	0	3776	452	0	0	0	0	1229	1290	1530	2695	5427	0	0	0	2480	4833	3177	0	2908	0	2028	2991	39391	1899	900	0	0	687	1393	3328	1566	2064	5764	8077	6703	7179	3380	0	0	2220	2338	1414	608	1532	3134	2078	0	0	4695	1439	0	2969	3558	Peptide	0.23076923	1.8461539	0.30769232
24	C16 H28 O4	285.20602	285.20636	0.08481217	285.20605	49762	55221	50744	45220	42899	42040	412061	31961	13925	34932	76890	17106	20495	273780	22901	21899	31242	13158	18825	26835	32851	17916	11944	16005	15153	35626	371302	219297	30369	27119	19388	25121	21850	22995	24682	31044	23141	26138	51918	26987	37752	29569	90495	11906	23767	30939	68454	11669	31948	21403	53539	48528	33628	34603	15959	15946	20475	26457	24319	50707	39817	23099	62246	15321	139726	70365	97493	59385	16391	20543	28728	20832	21811	30558	40976	22422	30964	13686	14699	542726	12750	116516	157513	172883	19939	25409	21913	18337	27376	46691	369587	286736	19970	62229	36603	16930	51610	53837	36297	9573	26853	27284	12424	43870	125278	20126	26897	9203	16566	22901	Lipid	0.25	1.75	0.0
20	C16 H28 O4	285.20602	285.20636	0.1364995	285.2061	9427	9220	7953	11566	3386	7635	100203	5124	1398	0	5181	2975	2819	67611	2615	7363	16284	0	3841	0	0	1985	2199	4662	3558	21174	106065	20065	5440	6621	2038	7265	11278	4150	0	5098	14047	2842	24972	0	3409	6280	8117	1460	1977	2818	3366	1547	6518	5771	9082	12563	3600	3705	0	5766	6131	9515	0	5030	8758	0	12587	0	36468	5420	17631	19807	1566	1839	0	4414	2376	7598	8925	3504	1779	1457	1991	155426	0	4871	89544	97165	2680	4558	6962	7977	5717	15306	106055	46997	5940	7696	2313	1618	8114	10181	6661	1973	5511	12557	1692	4859	1920	10456	2726	1047	4960	5364	Lipid	0.25	1.75	0.0
18	C16 H28 O4	285.20602	285.20636	0.059711345	285.20605	2785	2977	3486	3277	0	1846	34541	3579	0	0	2637	979	1548	20376	0	2973	3033	0	0	0	0	0	0	0	0	9854	35722	7288	0	3477	0	0	0	0	0	2038	0	1281	4816	0	0	1881	1126	462	533	0	0	526	1796	1751	5228	4645	1260	1044	0	0	0	3348	0	0	0	0	2774	0	9051	0	5244	3742	0	1603	0	1341	1853	4370	2753	0	454	0	1733	84417	0	0	57890	52724	0	0	2712	1797	1813	7078	43920	17902	2617	3370	0	658	3322	2167	0	0	0	2039	1391	0	0	1574	0	0	0	0	Lipid	0.25	1.75	0.0
22	C16 H28 O4	285.20602	285.20636	0.058645952	285.20605	28484	27655	27993	25148	21087	20935	324248	16704	5234	7076	20663	7205	6416	210384	8540	16734	25975	5461	4462	6282	5802	7459	6496	6359	10821	34788	338397	49359	17880	14324	7919	18804	10096	15731	4790	14425	9240	9896	25422	6188	26361	19841	32659	6060	5454	14133	30901	4110	16053	12369	28179	25401	11805	11598	3711	16064	16666	19427	8432	29728	34561	5966	64310	5773	143839	40635	63253	30887	8448	12378	18395	10720	12254	15848	16208	12051	6196	5457	5616	216306	4498	26661	138379	178997	7746	14616	13839	16166	16152	26130	184348	101456	11603	18585	14881	8218	24806	28800	23810	6206	11784	13546	5802	18309	24307	14717	11564	3432	12430	22111	Lipid	0.25	1.75	0.0
16	C16 H28 O4	285.20602	285.20618	0.11963195	285.2061	0	0	0	0	0	0	7702	0	0	0	0	0	0	4595	0	0	2246	0	0	0	0	0	0	0	0	2207	5524	0	0	0	0	0	0	0	0	0	0	1005	0	0	0	0	443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1445	0	0	1923	0	0	0	0	0	1670	0	0	0	0	0	32186	0	0	17139	21097	0	0	0	0	0	0	6740	1977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.75	0.0
26	C16 H28 O4	285.20602	285.20642	0.18502666	285.2061	36387	33581	38407	35162	30583	18598	146516	22668	9723	92203	495949	9586	7033	42674	21775	14502	17285	5769	7550	27254	36495	8035	6789	12490	12348	11104	101974	872484	19288	12557	9904	12997	10635	12518	96076	16818	8771	19321	19760	12898	13896	14558	21381	7776	12671	26793	57042	7981	12940	10819	37351	34051	23206	13120	9041	11211	17194	10279	26592	17821	12400	15739	8090	11984	41712	25261	33933	15348	7260	7069	9866	5506	12288	20320	13729	12071	12425	9279	7501	329059	9308	847061	61333	53887	12063	14867	18462	9896	12953	18631	164408	119210	8797	58065	28471	11082	38298	37302	39966	4824	12936	18410	10239	21672	513219	8378	28764	5289	10787	5658	Lipid	0.25	1.75	0.0
6	C15 H28 O3 N2	285.21725	285.2177	0.080577336	285.2173	7231	7243	7670	7866	25138	4823	2368	2641	2865	1689	0	1991	7706	7362	2138	8046	2987	7025	5282	1354	924	3050	2710	4290	12093	696	3396	0	4572	4067	4900	5956	6047	3070	896	7588	4559	2367	4715	0	0	1487	0	0	0	1723	0	0	5502	2427	8756	8086	6706	0	2956	885	1557	9754	0	0	9507	0	12942	0	468	22383	4860	5584	0	1500	0	4638	3399	3541	5186	4517	0	1593	3736	2765	1638	0	310	0	2575	1758	22841	2442	2834	16474	153914	168395	7532	1033	1106	0	5592	6810	1180	711	1367	6225	2237	0	0	8080	3152	0	8525	43876	Peptide	0.2	1.8666667	0.13333334
2	C15 H28 O3 N2	285.21725	285.21777	0.018173475	285.2173	4963	4450	4892	4975	3679	0	3655	1450	528	1007	0	2328	6377	40934	1221	2921	6599	1549	975	652	373	1113	550	1907	2966	0	3568	0	42640	1669	42439	8936	32666	7626	1461	6170	39567	1769	6347	777	1252	0	1083	0	0	592	1254	0	63726	808	4360	4758	1297	276	0	1812	442	4048	0	1015	2996	1056	1478	551	0	2926	1377	6366	0	632	1097	701	2314	2459	180618	2880	377	1763	782	0	692	0	0	514	1185	1282	3805	824	512	6467	2622	1679	2976	968	699	0	4957	5357	822	2250	2985	18709	1912	1156	510	2731	1508	0	2663	1294	Peptide	0.2	1.8666667	0.13333334
14	C15 H28 O3 N2	285.21725	285.2176	0.09814085	285.2173	1792	0	0	2545	2748	2832	0	0	0	2503	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1953	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3388	4087	3207	1880	1330	368	0	0	0	0	0	0	0	0	0	0	0	3664	0	0	0	0	0	1000	0	0	0	1244	0	0	0	0	0	0	0	0	0	0	0	1619	0	0	211205	29483	0	0	2881	0	2307	0	0	0	0	0	0	0	0	1624	1581	0	0	7459	Peptide	0.2	1.8666667	0.13333334
8	C15 H28 O3 N2	285.21725	285.21765	-0.041879974	285.21725	19821	20359	22951	23923	11630	14543	11658	26926	3493	1700	953	11183	4736	21040	13966	48630	69908	11504	20842	1947	2713	7182	17835	51059	25098	0	19333	0	48267	43752	35266	66748	66050	40151	1288	58685	75375	13527	67281	1089	0	20784	0	0	0	5212	0	0	58429	20859	21705	20434	21926	0	3038	1814	3899	62881	0	0	39969	0	8131	3645	3627	10525	21746	82341	0	3334	0	13153	44943	34526	22570	46426	0	10282	24108	0	16110	0	0	0	2697	5354	19929	14709	27203	32499	18568	0	29262	0	0	0	22405	21235	4483	1163	0	80259	8293	0	0	31012	4842	0	15298	4564	Peptide	0.2	1.8666667	0.13333334
16	C15 H28 O3 N2	285.21725	285.21753	0.05677499	285.2173	0	0	1469	0	0	0	0	0	0	0	0	1258	0	0	0	4114	1709	0	0	0	0	2912	0	4239	0	0	0	0	0	1803	0	0	0	0	0	0	1887	0	1629	0	0	0	389	0	0	0	0	0	2846	1924	0	1888	0	0	0	0	0	3483	0	3142	0	0	1743	0	0	2282	0	2769	0	0	0	2150	0	0	2634	1248	0	0	0	0	1426	0	0	0	0	0	0	2036	0	0	41540	8109	0	0	4372	0	2079	0	0	0	0	0	0	0	0	0	0	0	1558	0	Peptide	0.2	1.8666667	0.13333334
26	C20 H28 O1	285.22128	285.22168	0.14200546	285.22134	94765	83004	91515	87839	51491	35214	80680	144808	44924	23724	48552	67364	28189	62475	105209	282307	141303	26230	62132	41783	38347	136821	115759	178399	162459	83478	83113	70853	95846	101774	65190	131662	85146	71660	37904	169114	75128	103783	155101	43618	64208	55782	0	0	0	69525	53829	0	71979	145793	87800	85314	51957	0	50572	60644	49141	293137	48390	68430	226769	27058	30453	37695	30274	40943	72403	170832	66403	54431	67365	40629	49564	88759	176983	85798	0	58704	158098	152315	101721	68825	72862	53784	58687	51173	301367	42039	51050	535798	182870	139774	362932	83422	85833	0	89288	104388	62758	91634	95874	119907	60975	83686	54526	147188	54885	0	201977	25605	Lipid	0.05	1.4	0.0
22	C20 H28 O1	285.22128	285.22165	0.068201445	285.2213	43762	48303	34687	43213	15937	9668	45901	50048	15365	8306	12374	34270	7863	22267	52142	111947	115850	7514	14918	10097	12459	61572	61551	59279	98688	16535	55126	8979	23983	35705	22969	34745	25008	24234	8635	44193	24598	54775	109128	8581	23414	12026	0	0	439	21753	43114	0	25875	48274	44021	43186	15264	497	14956	31160	22511	117979	17095	37623	85568	8645	10782	14662	20947	10065	18000	120846	10010	12509	17923	16434	15863	27436	104488	31782	345	19594	123312	56529	69296	36855	36047	17923	56608	31549	154686	18011	17077	534454	81076	65319	222276	32877	41479	0	38284	45249	21449	66505	47680	37836	27182	20956	25051	60402	31862	0	131927	6961	Lipid	0.05	1.4	0.0
20	C20 H28 O1	285.22128	285.22162	0.12786457	285.2213	15493	14027	15014	17454	4586	0	17777	11839	4324	0	3151	10914	0	5912	17679	28807	43413	2448	4511	2092	0	15760	17542	20884	35031	2805	20647	2178	8660	10153	8955	12469	7366	4704	3054	14028	6728	17267	39433	1864	6269	3365	547	0	269	4071	16091	825	6796	14539	18570	11560	5545	483	3946	5768	6021	27692	3182	18071	19543	0	1953	3133	9689	3358	4950	46172	2226	2121	2740	3310	6060	9750	42621	10344	0	6810	51700	19932	21918	11085	12402	0	9556	10662	60588	3650	4021	271534	31402	22182	68311	7727	5786	0	12482	17116	7301	13967	13920	13885	7864	3477	8874	20641	7180	0	47724	3981	Lipid	0.05	1.4	0.0
18	C20 H28 O1	285.22128	285.2216	0.08848826	285.2213	3164	2979	3516	3642	2073	0	5113	2649	1243	0	0	2422	0	2175	1347	6749	14331	0	0	0	0	6588	4025	4445	5310	0	5879	0	0	3041	1955	6165	2008	0	0	3400	0	2888	9716	0	1580	0	0	0	0	0	3565	407	0	4694	2180	3663	0	0	1703	0	2104	7246	0	2944	4966	0	0	0	2061	0	1734	13473	0	0	0	1673	1377	2076	6764	0	0	1679	11085	4521	7857	3494	2196	0	3051	1256	11334	0	1376	62891	4028	6034	20238	2290	2527	0	3554	2308	1766	2564	3268	4465	1446	0	1790	6195	2327	0	9592	0	Lipid	0.05	1.4	0.0
24	C20 H28 O1	285.22128	285.22162	0.07407126	285.2213	81089	90243	78536	83656	46855	24428	93712	123317	47380	23538	40620	70297	24522	50884	98966	278483	218039	19820	45509	38628	28028	92743	118441	165046	167609	59218	92699	41870	65783	81241	52948	88406	64013	62156	33945	107532	57014	93583	207476	29443	52469	35033	2786	0	0	56585	74546	0	63162	118835	85493	78605	36017	0	39260	44747	39515	252494	39532	70221	184232	22288	24834	30236	38847	35785	46093	238315	40048	39935	55608	34564	39717	69444	193336	73296	0	53982	205947	105625	147854	60617	62207	39893	55198	48750	303476	32111	40868	870755	148200	116067	389515	71993	89407	0	78055	97403	41593	62663	57455	99167	60689	58010	45323	136218	51330	0	237792	21912	Lipid	0.05	1.4	0.0
24	C17 H32 O3	285.24243	285.24274	0.09058719	285.24246	378754	353751	373741	354424	7604	42884	305994	10313	6932	15321	204380	5192	5155	195037	12660	6768	8214	4405	6811	4975	3407	18883	2326	6800	8478	28066	306439	996884	9169	6047	4568	11239	9028	7645	3877	11113	5711	12374	20058	11214	9564	23479	16229	4478	8830	17198	14485	4322	18984	17620	367115	286979	4703	22572	3151	19195	27051	7690	4026	20273	22036	9136	26264	2516	164542	6399	23389	6591	10859	13020	9012	6867	3392	9008	3870	15732	11847	6294	4034	5465441	4517	36481	67120	108711	13822	26626	12671	19664	21107	7164	7655596	8383103	8529	1266902	248298	15083	358967	466999	34088	7385	43089	5226	83123	27017	9091	6310	22209	4648	14671	25543	Lipid	0.1764706	1.882353	0.0
22	C17 H32 O3	285.24243	285.24268	0.116244815	285.24246	0	1910	1503	1911	0	1745	31845	0	0	3722	0	0	0	5915	0	1527	0	0	0	0	0	0	0	0	0	1722	30428	2395	0	1894	0	0	0	0	0	0	0	0	1851	0	1959	1704	0	0	1144	0	1428	0	3487	4656	0	1584	0	3357	0	0	1488	0	0	10347	0	0	2960	0	6876	0	0	3204	0	0	0	1155	0	0	0	2017	1678	0	0	23176	0	1342	7667	25671	0	1130	0	2735	0	0	22514	21505	1544	1355	5608	0	1795	0	0	0	0	0	0	0	0	0	0	0	0	6221	Lipid	0.1764706	1.882353	0.0
24	C18 H36 O2	285.2788	285.27875	0.07692994	285.27884	0	0	0	0	0	0	22472	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1987	18338	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2104	2881	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.11111111	2.0	0.0
20	C17 H36 O1 N2	285.29004	285.29034	-0.039298918	285.29004	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1471	0	0	576	0	0	1005	0	324383	0	0	0	26695	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1417	0	0	0	0	0	0	0	0	0	0	1416	0	0	0	1547	0	0	0	0	0	0	0	Lipid	0.05882353	2.1176472	0.11764706
14	C17 H36 O1 N2	285.29004	285.29037	0.17841552	285.2901	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1993	0	0	0	0	0	16424	0	0	0	0	2373	0	4987	0	11422	3501	0	0	22900	0	0	0	0	0	0	0	0	0	0	0	7937	0	0	0	1480	0	0	0	0	7541	0	0	0	0	0	0	0	0	10015	0	0	0	0	0	0	0	1436	0	0	0	0	0	0	0	0	0	0	0	0	7349	0	7596	0	0	6588	0	0	0	0	0	0	0	0	2221	0	0	0	19000	0	0	0	0	Lipid	0.05882353	2.1176472	0.11764706
14	C15 H11 O5 N1	286.07098	286.0714	0.16281016	286.07104	20094	20287	19110	17987	17677	12622	11776	8728	16360	29201	29316	9007	28678	12831	11049	21398	15965	22670	20375	21435	37050	42002	13781	12968	8859	15787	10610	20253	8151	7859	7799	6301	16665	8459	44894	5565	16668	7972	18492	24653	45023	14463	0	316	347	15459	31317	460	12294	5902	17257	17228	15701	306	18876	11530	10276	18178	8343	21969	0	18801	25373	21648	10775	27998	15519	16233	17961	16460	30439	8222	5173	2952	11051	7777	324	6804	21167	39109	17703	15304	11112	20396	20994	10115	23278	20462	18430	54815	25691	22556	28042	39355	45739	787	22144	15814	11385	24602	19207	11743	9110	13589	0	18305	10175	363	15565	22151	Phytochemical	0.33333334	0.73333335	0.06666667
20	C15 H11 O5 N1	286.07098	286.07135	0.16116895	286.07104	5019	6742	9375	9279	5971	4096	4809	3179	6729	14898	12431	5413	6462	3831	6076	6571	10023	8536	7552	2590	9341	18619	5525	8841	5442	3779	6161	4512	7071	5258	3520	3879	9882	4339	11189	1608	9476	3252	10952	20459	46577	4532	1289	614	745	7885	17976	1816	5526	1582	7395	11081	5958	903	8649	3779	4163	3700	5537	13264	9346	11755	8700	8941	3144	8784	5497	11022	2454	2279	8461	3993	2758	0	3339	3673	600	3721	12204	26422	8650	8889	7498	11076	7665	5024	14417	15440	6400	25935	14361	8077	17713	29084	18352	661	6490	7427	5301	5781	5910	8944	5926	9153	5835	10011	4642	905	7042	4691	Phytochemical	0.33333334	0.73333335	0.06666667
12	C15 H11 O5 N1	286.07098	286.07144	0.13069087	286.07104	14243	20490	17992	19504	20620	12080	12976	9329	17945	22484	21085	9108	23511	9596	11363	17493	23159	28851	36174	20827	24724	35547	17420	15484	15532	14919	10738	12095	7882	5266	6883	8243	23373	9522	35828	6879	14854	11960	27110	23168	41864	16239	582	0	407	15046	19695	391	13025	11104	13277	18010	24676	454	24580	16074	11099	17594	4950	14192	21117	14201	24779	17982	11808	27727	18270	26269	21623	23521	28991	8397	5479	2360	11553	5579	0	9342	36697	21041	23201	13394	8192	14660	22838	12384	46782	20736	16269	74216	12726	18061	42474	31317	29518	0	18913	17287	19039	19814	17669	13374	7818	10562	0	21947	18395	372	21996	27707	Phytochemical	0.33333334	0.73333335	0.06666667
10	C15 H11 O5 N1	286.07098	286.07144	0.16835059	286.07104	13323	10201	12585	11335	16169	6453	6704	8187	16073	17252	13131	6472	22879	5523	6892	14279	12276	18349	21860	14350	16625	21823	10210	12801	4850	8909	6464	12492	5155	5491	4981	6057	13192	6498	27131	3994	7150	7634	16057	17451	32252	7818	692	0	0	9494	12884	0	5438	3721	9753	16151	13760	336	16248	11748	7164	13066	3491	11561	15689	8410	15425	17266	4768	16749	9796	13223	15124	16166	27600	4355	4199	2432	6148	7390	0	5438	20068	16354	10466	7612	4609	9478	14982	8910	15611	13503	11430	28885	4205	9845	22670	24249	21231	430	14365	12455	12214	16968	15305	10364	4601	7083	0	9126	11300	0	11367	19739	Phytochemical	0.33333334	0.73333335	0.06666667
18	C15 H11 O5 N1	286.07098	286.07138	0.16167383	286.07104	14229	15981	18480	14330	13287	8471	8897	5197	9720	25711	25660	6142	10409	7635	4595	13708	12750	15578	14329	15628	23020	34603	6140	17423	7313	6452	10227	18544	5231	5964	5410	7647	16073	7176	30657	5225	11031	5299	18117	22458	66986	8152	1245	319	859	12276	29053	1333	8881	5304	18301	16680	11943	823	9465	11518	9446	16410	5575	17176	15420	21999	17269	9804	6301	15038	13925	16727	10377	10212	22554	8121	2879	2791	6830	5962	482	7272	18953	52111	10359	14118	9692	21353	14313	8666	16793	14272	10895	30568	18984	22179	21099	48074	43411	819	17755	13285	10855	15394	11004	9459	7689	11628	8218	17110	10472	551	12198	14567	Phytochemical	0.33333334	0.73333335	0.06666667
16	C15 H11 O5 N1	286.07098	286.07138	0.13299404	286.07104	20787	21841	23166	26769	17371	12668	9618	7494	17753	39907	38443	10032	19042	12108	8358	20157	19405	27642	30283	23149	46242	50534	11341	22609	11124	15830	10699	24325	10617	7272	9184	9854	21774	11410	51176	6925	20777	9278	23553	34836	76165	12703	1205	480	697	19955	33315	851	14104	14076	23069	17021	18412	531	13851	15606	10729	20408	11324	22675	16446	25943	28577	15261	8453	28915	17913	24919	20101	16165	25725	8992	5117	3717	8547	11327	453	4979	25919	56740	13664	20650	12206	33340	19686	10895	27884	22803	17152	52153	25542	29218	0	56394	61000	869	22476	20291	13202	19588	18114	17593	8296	18800	9507	20254	15865	785	18810	25056	Phytochemical	0.33333334	0.73333335	0.06666667
6	C12 H15 O5 N1 S1	286.07437	286.0749	0.2279416	286.07443	5106	4613	4856	5890	7594	3617	2745	2616	5346	3178	3563	1787	10502	3458	2529	3225	4386	7597	8860	4790	6952	11482	2929	5003	2800	2850	1946	0	2378	1369	2937	2872	5720	2122	7228	1520	3665	2215	5165	7342	13593	3307	0	0	0	5138	9691	0	3790	2625	5938	4126	5609	0	7199	4995	2543	4642	4250	10663	2682	5245	6369	4597	1280	4207	3710	4253	2476	5517	5290	1116	2102	816	1895	1480	0	1393	3423	5225	2259	4256	5067	2945	5980	2146	3046	4141	4292	9054	12825	23997	7377	9280	10222	0	6262	5013	4161	6428	7204	4378	1875	6475	0	4556	5236	0	2310	10545	Organosulfur	0.41666666	1.25	0.083333336
10	C12 H15 O5 N1 S1	286.07437	286.07483	0.18617176	286.07443	12541	11828	12054	9251	15654	9561	3507	4005	10099	19098	12684	3614	16037	4330	3833	11712	7835	17254	14858	18944	21207	33259	3527	8114	5463	11447	6084	9747	5135	3363	3835	4828	8526	5047	21781	3231	10897	5144	7503	31255	34659	7161	0	0	0	18764	28068	0	6618	2676	11686	11263	8563	0	11608	10134	3074	10604	16242	20923	0	20254	9435	8450	2740	9458	5264	10239	11816	13958	14585	3020	2194	2976	2313	4553	0	2518	6921	12639	3769	14939	10973	15601	10731	7183	6872	8170	8849	11747	28036	38458	17320	26018	37758	0	12880	10549	7558	9753	8381	8198	3538	17296	0	11125	11960	0	5786	19288	Organosulfur	0.41666666	1.25	0.083333336
8	C12 H15 O5 N1 S1	286.07437	286.07486	0.19572912	286.07443	9458	7877	4570	8573	8919	5209	2267	3616	7695	10402	7185	1925	12871	3083	3957	7545	5855	10830	11757	11450	11214	25133	4351	6199	2999	4956	4516	3290	3400	2148	2897	3962	6699	3353	13590	3951	7081	2473	7461	15401	30737	3884	0	0	0	10642	17596	0	4769	3525	6859	9540	7737	0	7959	5022	2950	7564	7575	13184	4472	11174	8464	5803	3032	8022	4769	11454	5962	8500	13740	2803	1498	2652	2152	2397	0	2433	5498	8049	3201	8779	9473	9184	6191	4071	8569	5835	6369	12256	15507	26195	13427	19659	22940	0	6545	8425	5630	9781	6135	5674	2930	11500	0	7161	7447	0	4517	13708	Organosulfur	0.41666666	1.25	0.083333336
12	C12 H15 O5 N1 S1	286.07437	286.0748	0.14254732	286.0744	16866	20291	18819	17727	18853	11905	4509	4122	11033	24616	18423	3530	14475	5565	4152	14137	7907	28407	15894	26097	22028	41939	3606	9716	7455	9385	5328	10131	8903	2989	4909	7737	6710	6127	27992	4466	11045	4043	8620	44552	49288	7899	0	0	0	24057	29986	0	7636	3199	19505	17802	12940	0	14883	11297	4783	12807	16513	23120	0	21564	11105	8080	5065	12665	8574	9430	0	14005	20916	5070	2737	1795	6192	4885	0	4806	5977	16828	4736	19412	17281	23230	11638	6653	8805	11543	6787	11076	62559	75628	14663	32406	63868	0	19727	16131	8082	15373	13501	14338	4637	24940	0	11082	13236	0	6024	20407	Organosulfur	0.41666666	1.25	0.083333336
14	C12 H15 O5 N1 S1	286.07437	286.0748	0.16612378	286.07443	17113	16387	13035	14095	23886	12589	5170	4805	9238	22708	15325	3911	25111	6019	5835	9299	7290	21670	18609	19172	19239	29636	6275	10837	8532	4332	6437	0	6625	5490	6824	8689	13746	8502	30756	5854	18025	3086	3786	33584	38345	6802	0	0	0	18588	25547	0	12204	3843	11839	12511	10104	0	10409	8336	4885	14792	9259	17681	0	22496	9750	8948	3888	17755	6951	10615	0	9104	9775	4799	3836	2714	3123	5650	0	4644	6146	20467	3803	18346	15251	21350	9676	4259	10851	14513	10400	9880	49427	69726	13618	22517	45832	0	14914	11077	5738	16597	16905	16601	4348	19886	0	11265	10146	0	5030	16417	Organosulfur	0.41666666	1.25	0.083333336
16	C12 H15 O5 N1 S1	286.07437	286.07474	0.121027336	286.0744	7009	3681	7125	5029	10857	5559	2875	3597	4436	3300	2071	1552	7369	3202	5300	7968	4724	7968	6897	2641	3543	10717	3734	5795	4665	1724	2444	4063	3134	2452	3935	3955	9609	3311	4325	3109	6920	2466	3734	9449	11767	3095	0	0	0	2364	8525	0	3481	1809	6355	7664	8808	0	2237	5509	5880	6731	4847	7052	0	5733	5790	2842	1465	5485	3363	4933	0	2334	2682	1442	1352	0	0	3397	0	1273	3145	8884	0	2713	5566	2401	3406	2557	2909	4500	6827	0	17880	20896	0	8046	9810	0	4332	4062	2822	5639	6821	4333	1534	4871	0	0	6814	0	3657	7492	Organosulfur	0.41666666	1.25	0.083333336
12	C12 H15 O7 N1	286.09213	286.09256	0.13260177	286.09216	54972	58919	58787	55572	70432	65986	35134	41952	107666	32423	38324	36990	96864	36321	49184	52744	53151	126246	117566	32982	45862	54267	60575	39499	28027	2896	30110	17532	38506	38267	43734	51091	73712	44338	51042	43788	65766	44682	54440	35375	51331	61497	1471	926	1103	23361	23547	1309	46364	38666	58903	53897	71667	1223	128571	58716	49008	58648	46005	36939	49361	32188	114281	94527	44797	91201	65823	48733	16258	11966	19940	32565	41756	42638	46838	44757	813	40231	32515	28442	26900	18497	15101	10041	65687	54158	43953	70888	72962	58635	37536	58717	63878	33733	24787	1287	63887	71095	63907	53775	55406	83689	40396	34563	0	55875	72500	862	25560	149666	Phytochemical	0.5833333	1.25	0.083333336
4	C12 H15 O7 N1	286.09213	286.09265	0.12632327	286.09216	23965	26248	20677	22182	38336	20288	7316	17242	42139	15125	17761	11893	57784	16913	12438	19539	25215	59864	48448	18848	25154	25440	14414	19367	6295	4447	11460	5558	15155	11464	16129	16511	25844	13224	22097	18065	22072	11688	31073	16357	25051	27437	1173	458	970	13602	19931	874	18219	13567	20599	20208	32153	779	54896	41477	19552	18643	13240	20018	23338	9697	74255	49773	21515	42698	22581	27575	9665	7016	10376	13806	12736	14246	9218	15036	732	11797	14333	4953	10205	8073	8196	5086	41517	22980	13924	32045	32413	21837	10658	13014	30238	12661	13489	1167	19301	26411	33288	46823	46115	26189	12298	20321	12041	20160	36787	573	8410	84419	Phytochemical	0.5833333	1.25	0.083333336
6	C12 H15 O7 N1	286.09213	286.09262	0.13010009	286.09216	81127	89474	77102	80025	125354	70183	34227	54678	158384	87400	84700	46083	189770	44426	38924	75007	88608	220708	180483	69359	116752	84444	52902	56748	18934	7888	31989	33773	50958	47304	52108	56959	95101	63834	92191	55139	92631	36267	112012	56176	121959	88894	1941	498	764	43807	75142	617	67427	38177	79929	82711	117723	1101	182790	121531	58960	80102	45207	80244	72732	50736	229491	160377	56223	143195	87456	118119	25598	22359	32388	47940	52442	44810	42980	46914	482	32993	37332	25545	27909	25617	24640	17795	113877	59582	46189	113026	105237	88807	39881	54404	81956	59916	60109	808	73423	81345	82847	114832	131214	107358	43044	69192	35997	70477	122539	517	26469	302802	Phytochemical	0.5833333	1.25	0.083333336
8	C12 H15 O7 N1	286.09213	286.0926	0.0897712	286.09216	123602	140800	96768	132133	218960	136351	47098	75757	248843	125093	120957	75408	324231	76439	71028	120556	147346	295687	285592	121603	174988	136413	84320	79772	37197	10561	62817	53844	76647	74974	71631	99859	131614	98300	156736	85144	148823	60995	171154	112187	222649	141297	3497	675	1139	58027	93687	767	93199	64292	129134	130405	179148	862	302581	178619	96453	106836	64753	109966	107989	87874	312939	296934	87133	221128	130188	155311	40661	31753	65595	72559	87974	71083	89609	77390	502	59703	68643	51319	46916	38595	41279	32144	164290	88145	79133	157519	169065	122209	52729	115181	120165	102239	87976	1022	123844	130701	149215	194849	186270	150093	63479	100098	37990	106494	199948	812	44452	433647	Phytochemical	0.5833333	1.25	0.083333336
14	C12 H15 O7 N1	286.09213	286.09256	0.17342946	286.09216	21439	25147	21101	23208	28780	27678	15999	23040	34149	7294	11593	18782	41854	17973	22711	24670	31645	53778	41980	7756	12645	16727	25584	28412	12596	0	17232	0	20902	21585	20573	22986	33956	21632	15470	24966	34402	19833	32699	8330	14371	26380	0	1055	1390	6769	5571	1271	31324	17737	25605	20331	31995	1439	38151	25225	24120	34933	11835	14696	26606	9645	39733	34668	18052	41160	28215	31369	0	2608	2758	17359	21832	20219	24041	18320	929	20428	20672	0	18793	3317	8949	3171	25238	19045	26628	37981	35720	33432	10227	24221	46569	6757	7097	1575	25972	22232	20873	26338	24723	34472	22568	16288	0	34368	23370	1166	15223	45664	Phytochemical	0.5833333	1.25	0.083333336
10	C12 H15 O7 N1	286.09213	286.09256	0.14240351	286.09216	101488	89168	87869	82419	167956	118767	44167	66723	218683	82903	82422	68710	255913	72723	71675	81340	102806	253014	223632	84240	120065	89608	78112	56869	38180	9449	49125	41511	67176	53512	58001	72501	118743	70821	107437	61850	121742	63032	109248	85471	145036	103084	4285	875	2076	40681	61551	1296	72514	45672	95213	101918	143796	1581	272119	131917	63767	86869	60882	70563	85248	74324	224055	206537	70477	182507	103448	99455	40265	26858	41743	61952	70601	53913	65719	56009	966	57216	51699	37905	41171	27855	33993	20248	122803	77320	64580	109496	114738	80623	55576	89874	98082	73265	61510	1715	100427	95741	116131	118492	113862	112753	59815	61897	31045	81450	152674	1288	38823	352966	Phytochemical	0.5833333	1.25	0.083333336
14	C16 H15 O4 N1	286.1074	286.1078	0.10980207	286.10742	63892	63953	62410	72509	41133	33962	25111	29996	38497	149989	140105	26197	36691	29365	26763	63084	52118	45165	48364	123705	149932	122088	31590	50688	30728	213146	31788	127564	27806	26670	22683	29541	52072	30447	159988	29213	47246	26802	56102	144151	181406	34734	0	637	881	67317	85057	1419	36947	31370	62682	53743	39304	842	35333	19443	25858	68098	19807	55717	41919	72337	39655	33151	21241	52784	39177	66581	159690	229585	327706	28787	24235	19514	36299	30900	719	20445	52337	90902	41717	50646	33823	76548	33320	25255	60426	46915	39126	149484	72705	67352	117698	113729	144547	898	57754	56840	25721	25195	25783	44071	25561	42670	26950	58410	23487	741	41618	38676	Phytochemical	0.25	0.9375	0.0625
8	C16 H15 O4 N1	286.1074	286.10782	0.06896669	286.1074	51699	59178	48467	55686	38382	33092	27205	43241	42540	172998	135026	24982	42734	26709	25749	57254	47014	47536	66334	155462	200536	83792	37361	51997	25120	156895	29862	96351	31482	32103	28455	36935	51739	36152	180241	30949	57863	24890	56684	103267	167392	36224	1384	443	681	69315	94092	841	44974	36424	63424	58574	33187	725	43408	21597	21336	46350	7867	36670	46099	60908	35814	39096	21878	42997	37542	50023	169992	196878	292236	35692	31151	18995	32976	31851	498	24772	47645	81507	30843	30991	19022	73692	29097	22700	45083	37982	35957	89185	48193	38184	82641	92828	123285	846	62875	54289	33768	30875	31239	46081	24697	44549	23546	42545	27958	440	31791	43328	Phytochemical	0.25	0.9375	0.0625
10	C16 H15 O4 N1	286.1074	286.10782	0.10642473	286.10742	74382	64827	70667	58869	44119	33423	32726	63039	37912	165250	125676	34612	44347	31447	33614	84022	57977	57975	75389	162535	199381	90184	46433	78098	35152	212232	35487	100905	43680	46230	43430	43540	67082	38622	165693	44941	65084	33918	73783	123569	170577	44083	2160	589	895	76657	93103	701	51179	52690	70154	79925	42902	709	51851	29059	20684	74851	11172	43621	70645	58172	38331	39579	25332	47070	40613	84026	230814	264843	348238	45042	39927	32252	52739	46358	748	31688	62696	77326	43021	38622	21183	74601	34647	23677	63087	43391	42116	136699	57760	32885	117196	83838	129279	1195	69760	77068	36162	29756	27863	61685	28155	45959	30054	59618	30432	580	46728	48273	Phytochemical	0.25	0.9375	0.0625
20	C16 H15 O4 N1	286.1074	286.10773	0.11890601	286.10742	22687	23610	17595	17427	15227	12682	8912	10088	9683	38244	43847	8106	11624	8019	8912	16096	17273	15728	20455	24205	44516	35300	12545	21794	10872	51193	9187	36823	7587	7962	9258	9528	21791	11179	36274	10890	17254	9827	17278	39967	75481	11613	2001	765	1415	21734	34268	1974	11851	8241	22308	19013	13227	1784	8079	7448	7769	20934	8681	17014	16069	28225	11572	10375	7925	18935	12258	15764	60205	46334	80227	7891	8511	7607	9092	9807	1113	6810	16265	40484	8920	17408	11332	26833	9518	8541	15222	16762	13524	32624	23145	25172	24821	42352	30470	1892	23137	16746	8699	8649	9522	17322	8333	16784	16963	19811	7268	1379	15979	16824	Phytochemical	0.25	0.9375	0.0625
4	C16 H15 O4 N1	286.1074	286.1079	0.13061139	286.10742	13146	13732	11478	12461	14004	11096	4585	9391	14930	34726	26663	5752	17719	10731	7334	9732	9835	19034	21028	32132	46599	22534	8638	9657	5985	44767	5952	24215	6747	5571	5851	6513	10308	5981	40968	5682	10488	6078	12091	19835	31713	9337	0	599	638	14975	29801	788	5795	7372	12536	11851	11848	613	17002	10520	7133	9929	2051	7386	9856	13071	13928	12070	4793	15298	9510	9509	50947	45239	74581	6008	5138	4303	6024	5641	531	5635	11929	24198	10106	11641	4905	12076	15440	8163	13171	8593	9116	18393	11877	10134	17080	24411	40137	1361	12443	15847	11663	15001	14894	9668	6875	12765	11724	7687	10543	564	7929	16249	Phytochemical	0.25	0.9375	0.0625
6	C16 H15 O4 N1	286.1074	286.10788	0.12624107	286.10742	43718	39920	37579	40975	32948	24176	14549	21475	36424	163857	110948	14306	41094	21651	18526	30360	20712	45221	54361	133394	169661	56063	21444	27722	17132	140435	15468	82458	20237	16950	17924	19618	31926	19377	152520	14791	30889	15782	33496	56588	111183	21908	1028	348	508	44226	76643	622	25931	17155	40906	41464	28815	372	38539	28498	16268	36561	4114	22236	29180	50318	35695	28097	14066	40634	31697	32353	142280	170663	277572	17466	16525	9774	15249	18802	622	14713	28787	52521	23226	23499	11028	41950	33054	17502	32989	26892	23461	51768	39545	31166	41514	71900	103683	782	41565	39768	23866	28778	34103	32243	13431	27687	25141	30186	25762	457	17528	39913	Phytochemical	0.25	0.9375	0.0625
18	C16 H15 O4 N1	286.1074	286.10776	0.14689599	286.10742	46236	44621	40250	36104	23280	19415	19339	29782	17136	86221	113412	13304	18985	18301	17054	29136	30500	24946	32307	65418	90223	68215	17079	40034	20222	120573	18203	89644	20800	17924	16733	22271	30774	22041	83625	23055	35307	16789	28652	85172	141726	21465	2343	1017	1174	38621	55082	1292	32913	20291	37117	40926	23015	959	10639	10941	15799	39981	18477	35002	35127	56674	29557	22467	11495	30704	32025	40815	115656	126947	196209	22863	14545	14008	18376	18151	702	14312	29144	94170	23361	32669	19819	60859	20268	19354	32228	28758	25209	49146	48808	58749	51410	72563	88376	1614	40336	31119	16621	13160	21759	25657	15528	31917	23641	35298	10901	959	21949	25994	Phytochemical	0.25	0.9375	0.0625
16	C16 H15 O4 N1	286.1074	286.1078	0.13511008	286.10742	46096	54088	61678	61359	31965	28046	26892	31042	31605	159326	154076	19962	26556	27633	23039	45403	45045	49730	51982	115248	141167	113208	27621	50385	26890	222519	24334	118684	29893	23849	25269	31068	33354	25253	154857	28442	44328	17017	51169	130018	215649	31289	2630	1079	1180	53958	83502	1233	41439	29830	62441	50037	38941	788	29072	21812	18216	45055	21506	48482	37718	86826	36649	28261	17676	46443	37528	45934	199368	235968	331413	27123	24865	19380	27283	28243	1031	18654	42792	137278	28681	45722	31775	98221	27277	22145	42486	41935	31463	78040	76779	71432	59229	119681	149096	1891	62492	55192	24633	19116	20215	43153	17953	46157	39645	42651	21823	1160	34514	37455	Phytochemical	0.25	0.9375	0.0625
22	C16 H15 O4 N1	286.1074	286.10776	0.15370898	286.10742	6835	5872	6255	5682	3630	4018	2089	4782	2839	7611	15236	3675	2190	0	2123	7470	5786	3464	5221	4885	6711	12337	2250	5977	4151	15068	2541	10915	3718	3322	3752	0	5724	3586	9511	5742	7463	2038	2703	10510	29417	4040	0	0	1143	4681	11517	0	5061	3376	6209	4708	4837	850	5163	1735	4149	5187	2299	7384	4638	9525	4851	4276	2911	5324	5477	6014	15585	12467	24955	3377	2915	1938	2718	2889	970	1321	5778	13127	4700	8589	3498	6837	3852	4287	5952	7844	4339	10792	6432	6972	7955	12215	8363	0	3782	7294	2706	4858	2267	4032	4504	8877	5936	8471	4488	0	5733	2775	Phytochemical	0.25	0.9375	0.0625
12	C16 H15 O4 N1	286.1074	286.10782	0.0962266	286.10742	49691	50604	51959	47844	36373	27525	25605	40002	32988	112461	96296	20738	32924	22778	23952	44932	47076	48395	59263	113856	146772	86249	31419	44911	29689	181994	23800	77982	32179	26200	28786	29428	48046	27709	124634	26412	38993	21466	52807	95967	145426	29948	991	656	703	68338	77668	1201	35127	27218	50881	53251	34257	867	42347	24287	23136	51968	11915	36964	30474	54564	44956	34820	18763	40062	31825	59972	170093	221982	317970	23848	22142	17570	28197	27946	697	22884	43379	54707	38731	36379	22817	64605	29600	24320	50441	35364	25948	105748	46669	38224	81650	72018	91144	1248	59642	55700	21658	26958	22659	45216	24990	33479	22271	48467	25837	725	29738	43474	Phytochemical	0.25	0.9375	0.0625
16	C13 H19 O4 N1 S1	286.11075	286.1111	0.21710539	286.1108	0	1780	2355	2726	3588	0	2139	0	1267	5750	2923	1134	0	1751	2259	3381	1717	3530	1927	6724	7244	10427	0	2933	4355	2319	2177	4056	2018	2802	0	0	2227	3548	3759	0	2990	1151	3289	8600	10141	0	0	0	0	6597	10498	0	2400	0	6272	4380	3608	0	0	0	1164	4699	6926	7033	0	6422	0	0	1003	0	2850	3009	0	2471	1528	0	1660	0	2548	0	0	1463	0	6452	0	6861	4570	5600	2004	1066	3816	3710	1884	0	24968	30725	0	8773	21781	0	1924	4411	1958	1752	1242	1903	0	7606	4783	0	1060	0	1553	0	Organosulfur	0.30769232	1.4615384	0.07692308
10	C15 H15 O3 N3	286.11862	286.11908	0.25604442	286.11868	10322	7593	9831	8993	2312	4657	5116	9251	2446	10428	9970	5860	1533	2539	6182	10539	11389	3204	5942	8105	11039	10222	5465	15374	9765	6581	6883	7629	7130	9230	5672	8809	7729	7945	7653	8707	10480	6025	17246	8899	15540	5482	0	0	0	6775	9275	0	9314	6811	8223	8205	4671	0	2169	1167	0	14243	4340	5121	13755	5052	3328	2693	4163	3517	3743	17157	0	8090	13737	8246	4610	4828	8785	4638	0	5202	13077	9805	8888	3687	3502	5042	2311	3016	15708	6896	5077	34556	7007	7395	26150	8480	11950	0	7246	6923	1780	1699	1494	12057	6146	8667	0	13507	2133	0	11430	2832	Peptide	0.2	1.0	0.2
6	C15 H15 O3 N3	286.11862	286.11914	0.1889455	286.11868	11394	12301	12969	12876	6367	6104	6357	10145	4084	21650	13852	7462	3292	5129	9486	16820	12176	4832	10403	22578	27060	17429	7357	19468	11081	36574	7826	12209	8339	7054	8539	9330	11581	8051	21716	7102	8984	7809	15611	17421	30043	5203	0	0	0	16885	19451	0	11968	9696	13256	12706	6248	0	4728	2478	4335	17915	2611	8972	13554	12366	4440	3748	4067	4471	7391	19614	22224	30099	46722	9575	8797	5762	6000	6277	0	5453	13264	16459	7994	7041	5027	18814	3439	4822	13926	9151	6955	47409	14933	10373	34829	13726	20582	0	8643	11141	3053	2294	2130	11934	5457	11229	8515	14790	3465	0	12788	3638	Peptide	0.2	1.0	0.2
8	C15 H15 O3 N3	286.11862	286.11908	0.1329076	286.11865	10890	11624	10514	11962	4502	4586	7111	9473	4226	14309	10283	5504	3389	2530	5260	20432	16951	6137	8153	14286	16496	14186	8059	13657	8351	9277	6516	10513	9208	9643	7419	9066	9877	9395	14667	6563	15105	6773	16320	12643	17329	7410	0	0	0	12407	14802	0	12248	8118	12896	10631	5424	0	3799	2326	3102	14785	2478	9247	13915	7017	4196	4140	4037	4744	6827	19579	8252	12753	17183	8852	7101	4207	8776	7714	0	5472	15409	10340	9869	5011	6260	9325	3971	0	15355	8135	7762	37293	11994	6615	29256	9368	15182	0	11937	9780	4210	3268	2998	11209	7266	6690	0	14042	3493	0	13896	4246	Peptide	0.2	1.0	0.2
0	C13 H19 O6 N1	286.1285	286.1291	0.026998825	286.1285	14546	18276	16730	18396	24194	21313	3385	23700	19447	14490	5076	7277	32102	12843	6562	3443	6050	35082	28871	15131	30857	24164	9854	18495	5487	3735	1497	5167	30511	11492	19535	22303	36284	24568	25607	20765	26990	4438	7668	18714	7903	28889	0	1133	2139	15105	5273	1030	28005	10875	13502	17110	26242	1579	42884	11272	5153	29521	10277	5415	9431	4480	34318	28567	9911	27062	29876	8506	4493	11653	4976	21505	24088	16194	2433	26651	1408	10493	4859	5803	4200	4046	5301	2421	8984	6284	5520	17047	25763	6372	18040	17541	23701	6005	3179	1443	15081	16696	8427	11050	8798	20080	6594	18099	5242	24992	9754	775	4308	55212	Lipid	0.46153846	1.4615384	0.07692308
2	C13 H19 O6 N1	286.1285	286.12906	0.097185396	286.12854	62881	129122	52803	118970	182948	65142	17367	102382	148820	92061	48581	59764	293152	76636	52972	14986	58014	275974	111607	84426	261232	229410	59986	37269	15847	8219	7664	25524	150078	34372	114348	59028	221048	63213	261512	54506	171542	41052	69864	229316	109782	52313	1638	1118	1976	51624	30670	1538	64962	27085	113260	118026	159058	1808	182516	86584	47634	137388	79486	60958	25266	55258	326430	104474	23560	235218	144530	88014	19202	33672	30805	59729	123912	44349	6366	101844	1483	28725	38802	15593	35822	20596	17733	13051	79454	43208	41460	125198	162172	67852	81190	190278	117342	40003	39505	2288	121748	59132	84486	102000	84524	56594	30982	72547	45122	118766	68952	1015	30340	414192	Lipid	0.46153846	1.4615384	0.07692308
16	C13 H19 O6 N1	286.1285	286.1289	0.11610126	286.12854	52057	64224	57464	63130	81686	74981	47339	51883	59006	39526	37503	42033	116008	49016	49623	63413	75619	142616	118644	67010	60158	55433	53236	47344	45103	32532	39810	31790	66395	55873	48302	59519	77261	63854	33668	80974	80154	35069	65115	39925	58232	73514	6015	3803	6308	36003	42726	4658	67899	49005	61152	53380	82018	5681	101417	74148	48739	67005	46987	44680	58451	31070	69485	89038	40446	87099	62783	69130	36269	35852	38661	53283	59767	62235	67192	62360	4970	40865	53926	51420	30155	28972	36795	33811	95468	55091	53266	68445	66640	46450	55592	73837	79907	34505	46895	5218	50380	74364	57017	63180	83362	110284	37925	50651	22391	46175	86190	4782	41981	87517	Lipid	0.46153846	1.4615384	0.07692308
10	C12 H19 O5 N3	286.13974	286.1401	-0.03593657	286.13974	10599	9058	7076	8165	3414	5131	5074	14206	3913	0	2165	9128	3977	3251	10786	22118	8136	5047	8871	1722	1565	10935	11141	13266	11109	0	7563	5741	13497	11525	11315	14945	15350	13916	1559	14768	11894	9502	12498	0	2470	7996	0	0	0	4836	0	0	13647	10888	8186	9772	3385	0	5313	2037	3764	18039	2844	3562	18585	0	3291	3803	4858	5227	6069	12205	0	0	0	12535	10880	10473	12706	8487	0	7352	11433	17948	9852	2081	3062	0	4157	4013	13708	7095	8877	27632	21460	11445	28779	3478	1672	0	12276	7098	2841	3004	2835	10514	7795	2838	0	16088	2905	0	9764	6877	Peptide	0.41666666	1.5833334	0.25
4	C12 H19 O5 N3	286.13974	286.1403	0.100690596	286.13977	35778	35589	35037	36715	28201	24735	18498	36297	46527	18235	15214	22283	60433	13259	33495	38209	56341	58512	52795	22155	26014	51797	36729	40022	23440	3152	18727	16971	25324	22187	29491	29231	42767	28437	33012	28896	40599	31146	76361	18501	21188	27126	0	0	0	24360	26710	0	27489	27021	34602	29976	29002	0	81352	28499	23860	39304	28681	25286	39275	16160	69626	57725	22972	49014	24207	64879	7829	9318	8995	27658	26084	25892	19887	24082	0	23033	30405	33858	25197	16519	17463	7447	36136	26726	34034	41177	31219	71402	43296	51614	85905	18632	17492	0	31824	36829	27227	30713	27829	38456	26482	32481	18367	40076	30439	0	24731	74191	Peptide	0.41666666	1.5833334	0.25
8	C12 H19 O5 N3	286.13974	286.14017	0.010341996	286.13974	15415	16115	14990	17107	7974	9791	10774	19301	8134	5572	4437	12869	11546	5432	18049	31515	23143	13892	17790	5135	6419	23718	15603	26151	13349	1239	11028	7727	22050	13315	16223	24154	25783	21697	9288	20421	25603	13096	28844	4255	5834	11776	1420	0	0	10560	5361	1676	22758	19509	17622	17793	6853	0	13776	3993	7158	32291	4589	5871	31428	3353	7826	9739	8383	9077	9699	22388	0	3073	0	17832	17715	17477	18399	16777	0	10837	16638	28748	10417	4326	4782	1780	6270	5454	20757	11655	12390	48874	34808	22442	56685	8322	4916	0	17661	17813	6396	4090	7314	19478	11086	7594	0	27707	7258	0	13808	11830	Peptide	0.41666666	1.5833334	0.25
6	C12 H19 O5 N3	286.13974	286.14023	0.07666402	286.13977	28860	30983	30726	35283	19303	16583	22033	36529	23521	17907	10647	20702	25384	8349	29452	46010	31174	32115	36964	16487	16067	44340	28856	46137	22973	1676	18990	19123	34217	24416	31126	38655	45722	36854	21928	32668	44033	27195	40310	10529	16914	22804	0	0	0	20165	23529	0	38336	28975	31252	29401	20296	0	31140	13437	16307	47344	15124	19854	50335	7026	23637	18496	14038	27923	23924	45996	5922	7092	7384	26713	29245	30607	18691	26837	0	19726	27182	45926	17662	12747	14981	6163	18731	19285	36781	24751	24935	79123	46875	42556	82031	16795	14675	0	32070	30106	14284	10188	14645	42026	21882	25965	7480	45884	16190	0	23284	39506	Peptide	0.41666666	1.5833334	0.25
2	C12 H19 O5 N3	286.13974	286.1403	0.07519209	286.13977	83635	88428	74856	74083	94877	85611	43058	81240	121928	41940	42749	61835	144951	36695	74767	38673	83332	146279	140472	46630	71646	129301	86342	84828	43112	5313	14896	38762	74415	51420	80930	69318	124745	65971	71383	60816	95014	62545	97932	50513	48871	76865	473	0	0	40903	36597	0	76234	48872	77069	81151	92856	0	161092	55400	51453	96475	46719	42972	52188	26260	151646	135683	53898	141781	95852	108510	14466	24239	24089	73346	71495	52764	17064	56691	0	50131	60754	69632	47393	22770	27290	13437	76022	60932	69585	108142	93871	137998	101070	119488	197791	46290	29226	0	85060	83950	66471	58440	56955	80975	59481	74623	28251	112151	73141	0	48151	184227	Peptide	0.41666666	1.5833334	0.25
14	C17 H19 O3 N1	286.14377	286.14417	0.12811266	286.1438	20627	22316	19203	20519	9390	8012	11479	15408	8810	42046	48889	9451	6323	6139	7889	16029	21963	7486	14850	53268	58448	29012	7167	13893	8966	96542	12776	48313	11600	11435	12464	11159	17045	12024	51355	11976	16717	8487	22937	42986	50701	8568	0	0	312	21548	27262	0	19551	12946	20453	21936	10344	237	7041	2502	7739	15114	0	18136	0	18292	6939	5605	6304	8398	10443	23483	67159	89379	127427	11353	9652	11211	14512	11902	242	9644	11317	25291	11110	12835	12100	37715	8221	5734	12802	12675	9537	34198	27322	21651	22146	26562	47413	575	18412	15456	8667	4825	4831	11201	8413	14758	0	19363	4303	349	15242	6218	Phytochemical	0.1764706	1.117647	0.05882353
4	C17 H19 O3 N1	286.14377	286.1443	0.06788022	286.1438	19533	19767	17495	17250	5128	6754	10830	20916	5990	42456	22336	13026	5630	7686	11261	22911	19043	10770	13611	41958	55336	21240	11867	16812	14096	72025	13045	24074	13656	13683	12016	15104	18676	15347	49342	12768	16902	10380	22146	27095	27652	7580	0	339	285	15153	24831	416	16757	16941	15910	17812	9040	303	7704	4108	5580	16166	872	4340	17120	14826	6084	5779	3869	7518	8611	26905	46287	64277	85739	15032	13356	12831	21697	11966	221	15880	16682	19399	10761	4655	5016	24635	3868	4779	15355	10224	8760	63896	19166	7330	35959	23392	40744	0	18407	19510	5325	5538	6386	15659	12386	16667	9097	16141	3921	0	14868	6098	Phytochemical	0.1764706	1.117647	0.05882353
22	C17 H19 O3 N1	286.14377	286.14413	0.15276442	286.1438	13419	11566	9058	11941	13514	6387	5795	9402	5835	24485	43836	5542	8883	8805	5346	9648	6364	6428	9663	30940	30821	21368	4657	11829	7453	53806	3310	43511	10220	6854	6821	9664	10991	6982	17670	10347	8769	4194	8418	28846	55479	5093	0	0	614	12585	23030	0	7401	6004	14015	10238	9296	794	3521	3975	6689	9491	6838	12346	8842	23258	9946	4915	3790	13363	10199	6901	46917	32591	49715	6833	5051	6541	4117	8315	578	5498	7752	18564	3924	11315	10277	31130	7886	6626	8566	8046	6170	15876	13081	22389	10959	29332	20042	0	12788	10986	8079	11019	8773	11089	5087	11044	11373	11401	4973	0	7733	4178	Phytochemical	0.1764706	1.117647	0.05882353
10	C17 H19 O3 N1	286.14377	286.14417	0.018019248	286.14377	19156	19994	19175	17353	7686	7173	12275	14335	6946	63821	42979	10931	7456	8501	8263	18053	19439	8606	10918	78194	84572	17837	9239	18558	12269	92021	14115	40737	11044	15743	12469	12045	20673	14561	58773	12073	19191	9145	21540	40675	39222	8260	604	0	477	19931	22015	0	17107	12615	20781	19589	9988	0	6820	3262	5187	23425	2027	10192	17307	14792	6740	6433	3708	12258	10923	24251	67063	97109	118193	12031	11192	10674	13288	13262	0	7571	14520	17597	10746	6785	3640	29248	4860	4596	14017	11202	10963	38693	21327	5405	34839	21707	48913	566	19644	19450	5378	4469	4913	17114	10371	13447	0	19418	5129	550	12377	7479	Phytochemical	0.1764706	1.117647	0.05882353
20	C17 H19 O3 N1	286.14377	286.14413	0.14260195	286.1438	18190	26219	23600	18546	11202	8598	9970	15241	6165	51378	64115	10692	4177	8711	7442	21116	16651	10246	16350	54575	63124	29429	7187	18717	8187	111900	14530	61710	13215	11071	11558	16194	18081	16673	42059	15122	16994	7259	14306	61624	96832	11325	1469	0	471	29135	30596	533	13956	13740	21757	19717	12476	472	2923	5162	6757	15271	10490	29701	22319	40955	5941	4764	7545	11841	14871	23489	90988	66939	137220	11665	12168	7922	17282	13929	484	8487	10333	45226	7803	18004	16274	55431	6869	6724	12135	13480	12469	32948	32510	28136	23242	43707	37724	502	21928	24197	9383	4700	7776	17201	7140	24826	16609	14166	6622	0	14341	5627	Phytochemical	0.1764706	1.117647	0.05882353
12	C17 H19 O3 N1	286.14377	286.14413	-0.004372341	286.14377	17278	18509	20072	19131	10725	6263	9315	11999	7507	54915	43258	6397	5669	7280	7865	19733	13846	6129	12081	66990	70264	27342	7608	16694	5345	78790	10902	33921	11212	12565	12661	13153	14341	15248	53507	10651	13187	5644	13666	42763	55675	8400	592	407	0	15681	22927	462	12883	13839	17426	17384	9769	231	7165	3495	6523	12763	0	10476	0	16467	4943	5333	4841	11084	8634	20367	53659	77160	118841	9137	10389	10233	14745	12648	289	5740	11839	15742	10388	8905	7099	29518	6684	6637	10343	9828	9195	34145	20608	12461	23788	27887	42052	0	19849	14749	4041	4584	5308	17733	5496	11250	0	15379	6560	409	11569	3763	Phytochemical	0.1764706	1.117647	0.05882353
18	C17 H19 O3 N1	286.14377	286.14413	0.102689855	286.1438	24198	26654	25144	24558	16555	12286	9449	13531	7019	49064	56872	9806	0	9537	12432	20685	22856	11681	13644	56616	61730	34273	10248	26189	6818	109186	13152	54861	12743	13064	12876	14168	23995	17558	50846	12519	21418	9882	27038	49479	82612	14306	801	0	397	22521	34088	442	19961	16329	28146	27464	13659	419	5161	3510	8131	17664	9586	29085	19992	35694	7783	6388	8536	11666	11968	29423	100828	94137	151208	13578	10584	7714	20040	13254	324	8214	17538	40437	13869	26469	17573	48030	5994	6333	15872	17003	14313	37764	32165	31326	34568	40963	43513	0	23695	22046	8287	7334	4204	20953	10242	21705	13463	15299	7853	524	14482	8663	Phytochemical	0.1764706	1.117647	0.05882353
6	C17 H19 O3 N1	286.14377	286.14423	0.029910408	286.14377	27592	31264	26166	28272	12117	12804	16661	37193	11868	79702	50890	19443	8785	13046	18046	43481	21544	15629	21468	76740	91613	26454	14903	30354	17083	119379	16830	43304	24679	21203	20668	22928	28972	20768	67136	21197	28350	16032	27943	39813	38776	14292	754	0	0	24427	32935	0	30291	39074	32595	28494	13503	287	12057	6306	8423	37447	1320	7374	36974	23842	9485	10154	5964	12458	19113	36971	71429	124873	164722	27591	16034	19337	20720	20738	0	17631	17414	28395	14316	7066	4466	36018	6922	7343	18077	17538	14967	52962	33637	11840	40326	27641	57693	0	26512	27921	8322	4293	4710	28874	16073	21311	9157	23470	7209	0	16920	11046	Phytochemical	0.1764706	1.117647	0.05882353
16	C17 H19 O3 N1	286.14377	286.14417	0.11702647	286.1438	22565	24726	23985	18779	10315	7708	12169	19031	6629	53060	36266	10609	3441	7880	9625	20422	26326	7325	8589	52137	68398	32816	8322	22349	9988	109013	12573	31969	15708	12465	10944	11365	19095	15364	41855	14137	21819	10806	26874	41321	72955	9652	687	354	582	16219	31752	460	14340	13070	24627	17366	10659	398	5408	3695	6789	19554	7192	19712	21848	24491	7758	6139	6297	7890	8805	25320	94233	90364	153310	12903	12196	9722	18540	12855	297	9708	15176	35098	9842	16028	14927	38647	7800	9117	17839	14472	11088	38602	28109	27022	0	30931	45225	0	19484	23947	5758	5613	5426	17966	6776	14807	9412	12156	6015	605	12940	7280	Phytochemical	0.1764706	1.117647	0.05882353
18	C14 H23 O5 N1	286.1649	286.16525	0.103474684	286.16492	72334	66846	75736	71347	93140	73257	78196	95372	62030	39234	43176	58393	119351	97453	72939	101999	110238	140269	135552	104696	87790	46877	64357	74404	67237	33402	77342	53341	113234	100164	78987	104949	116031	113401	44168	123615	117039	50764	98294	34823	49971	95315	8131	2357	3194	48641	57174	2609	107791	69013	67297	70966	92094	3902	105151	100667	58814	111112	45569	53355	96123	32058	80815	75924	66394	100218	100036	101814	28993	16939	26079	65422	77897	96250	103001	93225	2308	54393	57427	67400	48513	39855	54912	39021	107657	83014	66014	82570	83293	72112	100281	98762	89115	40853	72318	4950	68067	96958	71073	88984	118033	143182	48177	92365	35535	73560	91718	2111	52829	81836	Lipid	0.35714287	1.6428572	0.071428575
10	C14 H23 O5 N1	286.1649	286.1653	0.03360118	286.16492	100473	103211	95503	85786	91032	76775	99606	141718	64399	74958	46025	78950	105464	56661	86943	172001	147382	123012	133174	114480	115064	104613	104800	152924	87071	103935	75559	41706	145404	129601	103695	119731	143262	129941	86610	141252	133369	68789	146939	72235	75822	86160	6163	1322	1825	96888	96689	1291	120748	110645	103253	94822	84744	2441	106995	79760	39566	176924	64996	80872	183767	35371	78779	73677	48426	100707	72258	147723	65868	78218	81884	110232	117882	126718	120618	119586	681	72432	95723	56016	65060	60131	179611	114518	113456	70521	112414	83647	79820	116259	88936	104979	143880	56931	97053	2419	102760	125311	60762	91414	123740	157218	65513	129647	42739	124346	96753	967	79335	87277	Lipid	0.35714287	1.6428572	0.071428575
4	C14 H23 O5 N1	286.1649	286.1654	0.070630305	286.16492	185930	218996	215370	199332	52318	44935	80704	132739	57851	89725	53599	113313	84192	57847	192666	288214	289550	167938	179574	104070	98389	146197	248942	143305	122848	27538	92577	32263	101873	191124	219962	109328	301752	85974	285546	219768	267208	196142	341118	84233	147788	54669	962	598	846	89952	80094	670	118264	251842	194620	174784	53210	732	168824	37433	33096	309378	54209	60455	148428	40670	189866	136862	112777	72829	50236	158587	41295	68498	56677	206978	207684	123582	88687	200410	618	189402	149158	43230	108824	43385	93758	61852	40794	76954	187058	64446	62533	116760	125139	320920	291022	57269	85479	1537	188852	224800	39640	41649	44101	299114	210200	115196	45414	203534	36365	582	115092	214578	Lipid	0.35714287	1.6428572	0.071428575
20	C14 H23 O5 N1	286.1649	286.16525	0.14777417	286.16495	21279	20181	23541	20419	31710	28954	31469	24483	29084	12540	10305	17282	39011	27463	23307	37773	33705	43372	40490	16804	16835	8121	22189	14984	20253	6687	28794	13394	29404	26361	23274	27753	31033	26536	6676	29380	33550	16604	27113	7157	10630	33056	3922	2183	2571	9585	19148	2589	26092	17200	17927	23592	27272	2432	40089	47758	18182	33659	10323	16107	30454	3105	24125	26452	18424	35797	27482	29119	4835	4209	0	15634	25169	23175	29560	23412	2109	16403	22166	21874	12901	7927	14524	0	36826	24411	32749	20966	25050	28380	31897	23877	24273	10941	11470	2999	24046	25096	24770	31865	50803	38698	15452	19936	7448	16879	34289	2807	14690	23410	Lipid	0.35714287	1.6428572	0.071428575
16	C14 H23 O5 N1	286.1649	286.16528	0.085552	286.16492	133943	140665	146239	134844	178866	135022	172735	156614	107766	94320	116827	100300	184903	152717	132964	217717	237022	267970	243399	203047	176947	103403	120299	135725	177977	98475	181210	130234	198969	182712	138425	177002	207619	171530	90396	216001	192698	102645	185681	91325	109604	172671	16515	2256	3983	105866	112306	2420	189905	140754	137558	137628	160454	5112	166536	145611	101103	212356	84655	131908	214977	54923	137216	128940	129599	183607	174826	180593	102910	78469	82021	132061	171832	180580	209550	155617	3208	91138	116246	195519	63936	93169	155036	118998	178992	122012	162838	161366	156719	198915	166722	201393	175048	83123	167822	11697	128012	171731	110693	126685	202348	261688	85348	159944	64741	132722	173029	2782	107034	150530	Lipid	0.35714287	1.6428572	0.071428575
12	C14 H23 O5 N1	286.1649	286.1653	0.039961822	286.16492	80814	96477	111941	93827	143334	113860	193648	183974	103044	69461	46826	91094	138304	104127	116174	130622	268779	213616	235323	156153	183592	96147	127847	114723	114542	159131	80206	60099	229323	106757	129420	121458	217125	153117	112604	162175	152741	111042	243490	84361	83965	122096	9438	1571	1998	110405	100097	1622	141760	98010	102280	94662	135951	3291	144407	113498	91867	152882	82076	114905	100570	56883	141884	97526	96309	161680	132278	213385	73675	105030	107118	97590	126191	128800	128521	111559	1453	108379	116072	73690	81106	89639	319342	222264	148447	120928	151886	102593	135495	172832	112197	142399	170429	81490	75596	3350	105205	132839	115857	124212	181999	159633	87812	85922	48304	133436	165539	1542	105723	136399	Lipid	0.35714287	1.6428572	0.071428575
6	C13 H23 O4 N3	286.17615	286.1766	0.059518304	286.17615	21893	23368	24377	23711	11288	23529	13669	26385	11220	14141	12382	10962	10529	8634	17286	28468	23285	25852	21602	14973	11862	23709	12661	31759	23550	1974	11835	35052	33494	23768	25410	39349	39261	31757	17946	32242	38327	11921	24709	8976	3400	11695	0	0	0	13984	8800	0	37494	16588	25034	23976	15785	0	11358	4278	6147	37982	5530	3662	32561	4199	7134	6224	5791	11867	11974	27861	0	12056	4256	19719	21223	21778	27187	21883	0	13367	12232	74115	9566	4371	6074	3799	6628	9123	21038	12217	13111	29838	223279	74242	47485	19825	14589	0	24195	18118	4925	4550	5406	29981	12183	14131	0	31958	6244	0	14729	15107	Peptide	0.30769232	1.7692307	0.23076923
8	C13 H23 O4 N3	286.17615	286.17654	0.04509602	286.17615	9411	10578	11746	9926	5080	9762	5714	9433	4439	4218	3642	5375	5066	4791	6661	10666	8354	11334	18792	5311	3014	12856	5603	11835	7382	709	6772	11174	13842	10382	11195	16134	16405	13788	7313	13863	20155	5809	9993	3436	3783	7756	0	0	0	6849	4372	0	12271	6907	9332	11950	5469	0	5156	4938	3097	17086	0	1425	10265	0	4005	3928	5718	7162	7802	10668	0	2421	0	9396	12077	9877	11193	11504	0	6270	6901	37693	4829	2325	1413	1615	2637	4249	9504	4120	7994	16782	101877	47032	22570	8847	7330	0	11603	11693	5681	4074	4865	9907	4897	4854	26322	10068	4559	0	7967	8683	Peptide	0.30769232	1.7692307	0.23076923
4	C13 H23 O4 N3	286.17615	286.17664	0.04087636	286.17615	20625	21962	21764	23322	7368	13634	13997	20939	9311	7879	9564	9914	10312	4810	15331	26191	19916	19243	14339	9826	9569	20887	13132	21111	17406	3778	12188	36455	23462	13318	17648	21196	25593	18663	11524	19303	23267	14588	27103	7740	6797	11255	0	0	0	10324	7391	0	23445	16125	22344	20567	9657	0	12779	4855	5500	27271	5246	4141	25195	5173	10940	7189	5325	12990	9413	21177	2715	6825	2892	12127	12445	15661	20005	15735	0	12237	16238	372115	12167	4876	8137	3504	6718	9898	17895	10733	12190	29757	424855	163231	41939	77427	12680	0	19214	24041	8497	4252	5642	22691	9267	16294	5629	21463	7358	0	13308	13072	Peptide	0.30769232	1.7692307	0.23076923
14	C13 H23 O4 N3	286.17615	286.17648	-0.028277148	286.17612	1673	1540	0	0	0	0	0	0	0	0	1966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1254	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27656	10577	0	0	0	0	0	0	0	0	0	0	1090	0	0	0	0	0	0	0	Peptide	0.30769232	1.7692307	0.23076923
22	C18 H23 O2 N1	286.18015	286.1805	0.0893498	286.18018	4918	7124	3297	5789	3610	1334	2793	6347	0	7240	14770	4228	1866	0	2604	9532	8453	0	2778	8483	9676	4637	0	6824	3909	52559	3129	17740	8019	6500	7355	8265	7625	5691	5284	8008	4747	3368	6436	10271	28537	3776	0	0	0	8602	18582	0	11888	8039	5498	5808	2097	244	1602	0	2023	9537	3319	12322	10049	11751	1655	1620	0	2216	5483	6370	38137	27213	49594	7032	5711	7371	3238	7608	0	4932	1970	11791	2844	5765	3606	15115	0	1465	3048	4593	2738	10325	11735	8587	5910	9267	9521	0	8045	8410	1570	1481	0	6188	3626	10202	6378	5203	1346	0	3516	0	Phytochemical	0.11111111	1.2777778	0.055555556
8	C18 H23 O2 N1	286.18015	286.18057	-0.002691924	286.18015	26576	27090	18219	23660	1423	4361	20503	48078	1428	43756	31438	30412	0	1988	18034	53710	17409	2677	6167	73492	59505	5691	12365	31982	16734	37409	35606	27378	32447	38295	32725	51086	41980	42403	39606	36699	39677	19429	20928	32835	2594	8187	0	0	0	13656	14257	0	45796	49933	22893	24727	5141	0	890	0	3982	31790	0	0	42474	14360	1344	2483	2734	2323	7835	41416	22782	41989	37539	47725	46893	38020	35515	44265	0	32297	12306	14579	11810	638	5531	52465	0	0	8747	10680	9077	30005	18617	0	37345	14112	37285	0	24780	21974	1478	0	0	38344	29432	64082	0	26866	0	0	11433	0	Phytochemical	0.11111111	1.2777778	0.055555556
10	C18 H23 O2 N1	286.18015	286.18054	0.03471757	286.18018	10836	9175	11388	11087	1385	4446	4635	16467	0	40757	28425	7847	0	2692	6990	12548	7478	0	2561	56349	47545	2395	4424	13861	6233	53040	11363	30327	12222	9696	11514	12765	18233	14903	33897	10952	17830	6607	7435	32882	5080	4970	0	0	0	7050	8344	0	16289	13349	11627	12816	3942	0	0	0	1444	13896	0	0	19065	8687	0	0	1828	2496	6595	18780	24507	37611	39422	18213	14696	9964	10626	12585	0	7860	4446	8938	5591	0	2669	38898	0	603	5508	4574	4536	13615	16497	0	13623	9147	32180	0	10801	11747	1660	0	0	16965	8454	79390	0	11733	0	0	4680	0	Phytochemical	0.11111111	1.2777778	0.055555556
6	C18 H23 O2 N1	286.18015	286.1806	0.046407238	286.18018	14187	13786	14606	14322	769	10109	10734	36580	631	25554	17271	15744	0	981	16565	34727	20407	2214	3795	32784	34463	2967	11486	38472	13335	24305	14268	19691	27952	24898	26024	29303	24977	31155	24585	29387	24841	13541	17657	11292	2094	7702	0	0	0	10112	11008	0	34940	33789	14677	13034	3572	0	901	0	2761	23941	0	0	28501	4866	0	1091	2735	1604	6383	28538	9874	19673	17913	30542	30691	33240	26238	23674	0	16811	8789	13069	8468	397	0	12825	588	1097	8658	7346	6659	27842	10666	0	30402	11146	29629	0	13761	14545	622	634	0	25422	12445	8583	0	23267	527	0	8256	821	Phytochemical	0.11111111	1.2777778	0.055555556
20	C18 H23 O2 N1	286.18015	286.18048	0.14221382	286.1802	6521	4925	4284	4515	1802	1890	3428	3873	1798	10729	14194	3390	0	1365	1698	3492	3838	0	0	8465	10699	6567	1228	4362	1859	44902	4359	16920	3038	4166	3506	3807	1629	2574	4081	5672	5036	3306	7583	13954	36835	2917	0	0	0	6178	11881	0	3377	3472	6706	5697	2808	0	0	0	1434	6897	2263	8917	3811	9131	1815	0	1319	2634	2559	9159	44891	32728	56802	4508	4906	2014	4416	5205	0	2531	4464	13722	2558	5717	2713	16640	0	0	2974	3234	2678	14278	5883	5247	7202	12140	13512	0	3949	6329	0	1609	0	4908	2884	6023	6935	7119	0	0	2372	0	Phytochemical	0.11111111	1.2777778	0.055555556
4	C18 H23 O2 N1	286.18015	286.18066	0.030320192	286.18018	11046	10243	12169	11989	547	1825	9542	28046	512	13886	7016	12540	347	1319	11626	26241	17078	2106	3660	15973	19366	5038	9792	29034	11195	7120	15753	11125	16518	15418	17440	18642	18196	16457	15996	18954	17403	10051	19284	10062	2854	4418	0	0	0	4984	6660	0	24471	27389	12634	10412	3201	0	589	0	1563	18580	0	0	25367	3872	0	507	1905	2087	5029	21347	3760	4365	5388	30237	16739	23971	22959	13787	0	12955	9706	6792	8881	0	596	9447	0	1080	9603	5940	6107	25145	10705	0	28841	6281	20227	0	11404	11640	0	0	0	16240	10286	7057	0	16545	0	0	8878	0	Phytochemical	0.11111111	1.2777778	0.055555556
16	C18 H23 O2 N1	286.18015	286.18054	0.24234548	286.18024	7480	6924	9994	8114	0	1770	15109	3030	1475	6555	7991	2007	0	0	3228	11872	5276	0	0	8627	10314	0	1499	4374	12127	17419	27757	8649	10506	2820	3520	40601	97353	27019	9705	14949	84562	2689	4039	3297	5203	1847	0	0	0	1821	3076	0	14557	1725	6425	4113	2562	0	0	0	1062	22014	0	1731	6714	0	0	0	1371	0	1671	4304	7851	16797	17412	4479	6894	0	10829	5375	0	4510	2890	0	1780	1164	0	5732	0	2458	1928	22068	15795	0	7550	0	0	0	5803	0	9007	6518	0	0	0	80828	2784	2093	0	30395	0	0	4369	0	Phytochemical	0.11111111	1.2777778	0.055555556
12	C18 H23 O2 N1	286.18015	286.18054	0.063168034	286.18018	8219	7456	6246	5998	2237	1755	4882	10625	1161	23168	16262	7144	0	0	4151	14489	8236	0	1512	39829	35914	0	6322	6097	3307	48926	9120	22621	10039	11766	11614	14114	12080	12638	20477	11066	8468	6413	5149	11926	5730	3375	0	0	0	5266	7139	0	12976	13866	5860	8067	2634	0	0	0	1421	5850	0	0	0	1750	0	0	1626	1583	3947	15994	22206	42940	43185	12873	12756	13463	11423	11084	0	8231	3619	0	4719	0	0	11943	0	0	1462	3674	2614	10871	11411	0	9345	4691	13310	0	9159	6369	1410	0	0	11740	7357	0	0	6414	0	0	1756	0	Phytochemical	0.11111111	1.2777778	0.055555556
18	C18 H23 O2 N1	286.18015	286.18054	0.07919453	286.18018	2459	0	1685	2779	0	0	1339	2328	0	4239	7713	0	0	946	0	3232	3807	0	2076	7466	5483	1804	0	2946	0	25214	1751	4344	0	1721	0	0	2134	0	0	2039	2013	1108	5142	4124	12296	1301	0	0	0	2542	4393	0	1933	0	0	4573	0	0	0	0	1026	3146	0	3801	2423	1950	0	0	0	0	1569	4512	12635	16290	27782	1881	1369	2059	2665	0	0	0	0	4416	0	2113	1533	5465	0	0	0	0	1365	8642	2765	0	5211	3367	2690	0	2003	1932	0	0	0	2273	0	0	0	2430	0	0	1496	0	Phytochemical	0.11111111	1.2777778	0.055555556
14	C18 H23 O2 N1	286.18015	286.18054	0.043229267	286.18018	5461	4465	3526	4105	0	0	2055	4363	0	12811	12815	2703	0	0	2658	5456	6677	0	3684	20667	18790	0	1164	5866	2421	31299	3197	13995	4865	5446	3169	0	4393	6965	12681	4488	6651	2477	8107	5586	6455	1314	0	0	0	2118	0	0	5993	4538	5614	5304	1123	0	0	0	641	6200	0	0	0	1419	0	0	689	0	1433	7059	14128	26103	33335	5495	6154	5491	2563	5964	0	2581	1944	0	0	0	0	9750	0	0	0	4994	0	6948	8232	0	6142	0	7601	0	2162	4810	1206	0	0	3327	2057	3155	0	5096	0	0	1626	0	Phytochemical	0.11111111	1.2777778	0.055555556
24	C18 H23 O2 N1	286.18015	286.18045	0.11019241	286.18018	1518	2609	2630	2370	1169	862	0	2592	0	2266	4349	1766	0	0	0	1870	1743	0	1312	2653	1557	0	0	1574	1567	21806	1344	4867	1384	1953	1496	1637	1154	1738	1401	2440	2572	0	3645	2458	9307	1680	0	0	0	2863	6377	0	1637	1682	2140	2404	0	0	0	0	0	1306	1786	2832	2762	1970	0	0	0	0	2850	1859	16443	4708	15017	2087	0	2154	1623	1861	0	1251	0	4138	0	4187	919	3340	0	0	1428	1788	0	2486	5078	2096	1309	2054	2157	0	1210	0	1616	1876	0	3255	1013	2999	2503	1831	0	0	1953	0	Phytochemical	0.11111111	1.2777778	0.055555556
22	C15 H27 O2 N1 S1	286.18353	286.184	0.15819204	286.18356	0	0	0	0	0	0	0	2779	0	0	0	1294	0	0	0	15447	0	0	0	0	0	3130	5054	15400	3175	0	0	0	0	0	0	0	0	0	0	0	0	1227	0	0	0	0	0	0	0	2674	0	0	0	0	0	0	0	0	0	0	0	8271	0	0	5270	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	436	0	1559	1265	3982	0	0	0	0	0	0	0	0	24187	0	0	17118	0	0	0	0	0	0	0	0	0	0	0	0	2439	0	0	5288	0	Organosulfur	0.13333334	1.8	0.06666667
22	C15 H27 O4 N1	286.2013	286.2016	0.07846659	286.2013	103946	91495	106307	104998	72135	137843	59944	67697	22349	22168	34334	51419	66242	4823581	105826	45594	43927	79822	92869	55469	39814	23799	32041	28100	51482	17999	86990	75319	51027	36491	59766	67041	44929	43024	55634	51892	67200	47580	67329	42026	23607	71310	208905	24988	15564	84427	36454	36288	62620	40020	97053	96350	71500	62804	42226	67847	46553	48053	69469	30204	119258	29532	503991	24030	1616534	112179	388586	51769	19604	70227	15016	39933	31635	57558	55729	25223	298250	18798	19827	51142	14787	54862	82302	46702	53986	57842	33764	97004	101304	32465	78143	57266	53006	48094	58613	65309	0	121205	90666	40601	47031	51058	15376	79674	57106	35097	36180	13548	32808	106159	Lipid	0.26666668	1.8	0.06666667
12	C15 H27 O4 N1	286.2013	286.20166	0.08636109	286.20132	7808	4677	6155	6395	6647	3658	5123	5161	2124	3597	0	3633	3868	3299	4215	8677	25870	10287	11271	2522	3258	8052	4503	4159	4192	1294	1659	0	9874	4278	7377	8362	15372	7853	5242	5069	15344	3196	25149	1449	0	4609	0	0	0	4533	0	0	8135	2627	5148	4412	4203	0	3975	3900	3299	13457	0	0	0	0	3490	1877	1981	7191	5792	44605	0	5037	5965	3567	4241	4046	6439	5711	0	4959	8348	0	4120	2813	2223	3681	3831	4460	11362	4564	3855	44962	15915	8328	27318	6476	6231	0	6811	7568	2201	3486	8229	6440	3486	3549	0	9484	5361	0	6790	3479	Lipid	0.26666668	1.8	0.06666667
8	C15 H27 O4 N1	286.2013	286.20172	0.020267695	286.2013	19024	20404	13820	16402	10206	9211	17282	21342	8815	12836	6902	12726	10872	9183	15246	23451	17630	12046	17011	16338	10813	16232	9705	14021	16049	5476	24786	9302	23958	26167	23950	30091	28480	20172	21656	23017	28052	13861	22537	7384	6268	8239	0	0	0	7985	8241	0	31232	18977	15067	16961	10605	0	8988	5576	5005	27413	0	838	17889	2066	7056	9277	4741	15226	9948	23116	4179	12164	9057	22723	25545	30635	23619	23638	0	17489	11694	3807	6619	2330	2093	6722	6386	5324	24825	7182	10756	38427	43915	26670	28530	6434	10873	0	17252	19329	6579	6332	5888	23443	13899	11972	0	19385	5773	0	12404	9459	Lipid	0.26666668	1.8	0.06666667
16	C15 H27 O4 N1	286.2013	286.20163	0.100392014	286.20132	9044	8508	9153	11200	12427	9552	34800	10473	2814	4739	2930	5772	9789	18505	6731	18895	17006	7166	7539	4564	3637	9279	7189	8500	11850	13526	36877	5798	9552	12355	10971	9184	8299	8380	4639	8484	8646	6515	12289	1558	4734	7916	3465	0	0	5044	10279	511	8133	10410	10854	7938	6814	838	6146	9681	5374	11331	0	13072	11689	2702	11859	2907	7690	13431	10969	17971	4396	2187	4476	8160	10105	14365	15923	12334	0	3837	10353	15024	5494	6371	37976	62264	18596	7046	19237	6070	7112	34357	23322	14096	0	5761	10282	513	10363	12670	8583	13150	28354	7194	5565	4462	5087	0	13606	404	12881	4298	Lipid	0.26666668	1.8	0.06666667
14	C15 H27 O4 N1	286.2013	286.2017	0.14304866	286.20132	8335	5976	6281	5771	5262	3025	4337	5198	2648	0	1739	2793	12337	4529	3269	13104	7693	6506	8275	2156	3394	20829	3412	5378	6902	3001	2991	0	4333	4045	3924	0	7516	2380	3068	2856	2149	3689	9521	1554	0	3750	0	0	0	5002	10416	0	5297	3852	8249	6387	4758	0	4370	7562	2550	7699	0	0	0	4054	5632	4408	2264	3981	7642	8140	0	4005	3980	1505	3283	5123	5055	5575	0	1902	8606	31306	3615	5994	4281	5009	13909	7056	9568	4020	3523	139511	24438	14680	84886	23254	22071	0	7413	7189	5420	13069	21453	3310	2405	4493	0	13342	10387	0	8769	3469	Lipid	0.26666668	1.8	0.06666667
6	C15 H27 O4 N1	286.2013	286.20175	0.022441136	286.2013	29240	28385	28547	23646	12942	11856	135141	26561	12545	27947	11805	14794	34097	11319	25692	33655	19713	14651	15675	22802	21806	25532	15261	18070	61451	9430	116019	15410	32926	29233	34810	35758	36672	24446	30518	32675	37954	21013	26806	10585	13885	13620	0	0	0	11762	10727	0	39877	22442	27323	25094	17888	0	14805	9718	7997	41426	1290	1064	36511	6350	11856	11873	7783	19315	16729	39791	8658	22541	18758	23837	29653	42817	17107	27079	0	21890	16145	11139	8659	5115	4288	8884	8758	14477	103755	12532	12282	69072	72304	33669	35881	14258	21082	0	26535	23936	8666	7941	11412	35449	17218	16331	7214	24979	11409	0	30194	12187	Lipid	0.26666668	1.8	0.06666667
4	C15 H27 O4 N1	286.2013	286.2018	0.05585241	286.2013	55756	58663	60526	54021	11594	13443	131804	40357	8879	38504	24612	62283	13731	10537	41498	54877	252956	18241	22604	34860	43665	39996	55585	22688	42645	14919	135950	28435	47215	39397	44258	42178	239676	41140	66310	49004	222716	33182	283714	19257	20319	17587	0	0	0	21452	29258	0	88274	40615	60008	55651	22632	0	12577	6031	10221	60569	4168	4132	45563	12984	13452	12271	11572	23709	16076	219876	13859	18985	25536	27967	45130	54138	167804	34332	0	57230	37270	22869	21057	8927	9404	18616	10547	13636	136507	30483	13239	85470	86858	54127	51976	24303	38230	0	55423	62897	7050	6986	8404	197068	49274	36711	13365	71339	8788	0	40150	15125	Lipid	0.26666668	1.8	0.06666667
24	C15 H27 O4 N1	286.2013	286.2016	0.14014341	286.20132	9401	9121	8142	8946	24419	11525	7375	2938	9551	3369	7368	3543	13181	22647	4036	6731	8197	13907	13709	7992	27949	3333	10542	3425	5714	0	7412	13533	8633	5216	5001	6852	7235	7690	6679	9087	5801	4853	9013	13738	11978	12692	4860	0	0	4828	7213	0	6241	6628	9449	6695	19377	0	9077	7907	13955	8343	7579	7064	9083	7952	9269	6200	17986	29044	57252	9476	0	0	0	2994	5002	10876	7641	5723	0	5202	4282	11377	6604	8321	7660	7041	8989	27030	6130	14162	12944	6337	23560	14140	8999	4137	8126	0	7712	10498	11416	6146	8420	9354	3123	11738	11591	5724	15034	0	11195	4899	Lipid	0.26666668	1.8	0.06666667
18	C15 H27 O4 N1	286.2013	286.20166	0.11713382	286.20132	23782	31813	23903	26328	25894	28466	104407	33914	2281	8701	10540	12715	24139	105282	13279	43401	46941	15097	30926	7480	5368	12802	28066	68584	24438	20159	100999	14655	21273	64898	17983	28305	30851	19253	7436	27128	24513	16196	40357	1957	9083	33541	8427	0	360	18313	22379	592	27296	65982	30357	23182	20841	5215	10388	27730	18612	28572	4158	21063	41061	2191	25181	5986	34082	48692	67165	44163	3885	5812	6105	46499	40859	34229	42512	36590	439	10466	30217	44380	33472	15152	63215	134647	23905	16710	91357	22535	20651	129561	52666	25046	50330	7307	17353	1166	26820	32898	16743	24180	40172	33842	9149	11872	8753	51238	19242	0	28310	17922	Lipid	0.26666668	1.8	0.06666667
10	C15 H27 O4 N1	286.2013	286.2017	0.061263386	286.2013	13065	7145	11269	9528	9333	3775	8402	11931	3566	8074	2480	9144	6861	5749	5472	10377	20592	5926	9316	8412	8222	10154	6756	12960	10443	3697	8869	5467	15860	15940	9378	18124	17929	12460	12471	15559	13603	7898	19199	4289	2910	4071	0	0	0	4441	4215	0	17558	12337	10156	9549	6764	0	4693	3192	3853	17707	0	2019	10893	2486	2846	2593	3121	6591	5782	19556	0	5421	5814	12937	17675	15440	20513	13897	0	8561	9380	7337	6054	2277	1461	3260	5154	5324	15284	3862	3725	26130	31836	13834	19202	4775	9270	0	7851	10941	3805	4766	8195	16808	8543	7683	0	14056	5829	0	7380	5479	Lipid	0.26666668	1.8	0.06666667
8	C14 H27 O3 N3	286.21252	286.21295	0.12321473	286.21255	2196	1099	1196	1290	3632	1900	0	1555	2361	0	0	0	6326	2493	837	2534	1006	0	1783	0	0	4573	0	1289	733	0	733	0	3367	754	1535	2792	5211	1536	0	2638	4075	0	0	0	0	789	0	0	0	0	0	0	3624	1071	1477	2108	1479	0	0	2685	812	3665	0	0	5797	0	4284	0	7253	4849	1299	1113	0	0	0	1716	1555	2311	0	1217	0	825	0	0	0	1704	0	0	1905	21607	990	1718	1484	2112	0	0	6883	0	0	0	0	1763	1140	1793	6657	3532	0	0	0	2442	6803	0	0	0	Peptide	0.21428572	1.9285715	0.21428572
2	C14 H27 O3 N3	286.21252	286.213	0.001141404	286.21252	938	1207	1448	1635	0	0	510	2208	0	0	0	607	837	0	667	1032	919	549	622	0	0	2253	473	1262	1604	0	0	2105	1719	1552	1419	1617	657	1262	378	1276	1016	701	1273	443	0	0	0	0	0	411	308	0	1579	1128	1490	1883	379	0	633	0	0	2259	0	0	1718	0	0	0	0	661	445	1922	0	0	0	1715	1972	3885	1064	1733	0	846	1509	13642	600	0	0	0	0	212	1918	0	509	8132	34504	3701	9045	2374	457	0	1597	1678	0	0	0	901	567	360	357	2436	0	0	2458	627	Peptide	0.21428572	1.9285715	0.21428572
8	C19 H27 O1 N1	286.21655	286.21692	-0.04376844	286.21652	2453	3790	2967	3308	0	0	5661	6484	0	1242	7639	85006	0	0	10184	6854	2005	0	0	2038	1106	0	3602	5541	3629	0	13644	0	2641	5864	7124	5960	2541	3627	0	4095	4267	10246	853	0	0	0	0	0	0	0	0	0	5569	7871	4125	2596	0	0	0	0	876	4540	0	0	5958	0	0	0	1692	0	0	3610	0	0	0	5823	3461	3808	3875	3353	0	116227	1461	0	4365	0	0	1126	0	0	0	0	0	4841	0	0	5644	0	2176	0	3344	3094	0	0	0	2800	89410	0	0	5662	0	0	2413	0	Lipid	0.05263158	1.4210526	0.05263158
22	C19 H27 O1 N1	286.21655	286.21677	-0.056987405	286.21652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26628	6757	0	0	0	0	0	0	0	0	0	0	0	0	0	2338	0	0	0	5122	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1881	0	4118	0	0	0	0	0	0	0	0	0	0	0	2917	0	0	0	0	0	0	0	0	Lipid	0.05263158	1.4210526	0.05263158
14	C16 H31 O3 N1	286.23767	286.23816	0.094511	286.2377	0	0	0	0	0	0	0	3690	0	0	0	0	0	0	2730	153736	0	0	0	0	0	0	0	2497	2239	0	4154	0	3034	2292	1583	0	0	0	0	5082	0	0	0	0	0	0	0	0	0	0	0	0	0	4225	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1396	0	0	0	0	0	3487	1407	0	0	1452	0	0	0	0	0	880	0	0	0	0	1224	0	3684	0	2815	0	0	0	0	0	0	0	0	0	0	0	0	3777	0	0	0	0	Lipid	0.1875	1.9375	0.0625
4	C16 H31 O3 N1	286.23767	286.23813	0.12272865	286.2377	718	657	988	489	0	0	400	0	0	0	0	511	0	0	0	1020	0	0	0	0	0	5049	0	1800	1684	0	1010	0	0	0	0	0	0	0	0	0	0	443	0	0	0	638	0	0	0	0	0	0	0	0	539	1460	0	0	0	0	0	3759	0	0	1336	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	562	0	0	0	0	0	0	292	1240	0	0	13089	6905	1331	24213	0	2182	0	1307	1029	0	0	0	724	0	0	0	6310	0	0	1169	0	Lipid	0.1875	1.9375	0.0625
6	C16 H31 O3 N1	286.23767	286.23795	0.091604896	286.2377	1497	994	0	1077	0	516	0	0	0	0	0	0	0	2538	0	1316	0	0	0	0	0	5434	0	0	932	0	706	0	0	0	0	0	0	1630	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	898	644	0	0	0	0	415	902	0	0	1076	0	0	0	2217	0	508	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	776	0	0	23671	2973	2886	20506	0	0	0	1287	680	0	0	0	0	0	0	0	3864	0	0	579	0	Lipid	0.1875	1.9375	0.0625
28	C16 H31 O3 N1	286.23767	286.23795	0.16601378	286.23773	2043	1256	1796	1930	0	1438	2388	2927	0	0	2470	1708	1752	1365	43271	2214	0	2128	0	0	0	0	0	0	0	2516	2010	2423	2557	0	3436	1344	1552	2579	0	2353	997	48079	1507	1407	1230	0	3032	3124	4512	0	0	3210	2236	2571	1918	1339	1259	0	1823	0	0	896	1412	1967	1919	2594	1012	0	2927	0	939	994	0	0	0	2246	1898	0	0	1492	4577	1417	837	0	2020	2030	3149	1026	0	3320	0	1165	1224	1213	986	1980	0	1731	2195	2920	1708	2301	2173	0	0	0	1777	0	2672	1390	1805	2883	2484	0	Lipid	0.1875	1.9375	0.0625
16	C16 H31 O3 N1	286.23767	286.23804	0.118286654	286.2377	8668	4178	6269	6967	1485	12106	0	4998	0	0	0	0	0	1028	3232	673624	1552	0	0	0	0	0	2307	7370	0	0	43821	2071	4290	4251	26324	3559	2210	0	0	1914	0	3022	0	0	0	1576	0	0	0	0	0	0	5876	2436	6837	5844	6688	430	0	0	996	52419	0	0	10700	0	0	0	0	0	4455	9892	0	0	0	2719	11196	2796	2364	18841	0	0	2814	0	0	0	0	0	0	0	17757	16187	9871	80859	19867	0	46969	0	0	0	4786	6513	0	0	0	10803	0	0	0	24269	0	0	0	0	Lipid	0.1875	1.9375	0.0625
22	C17 H35 O2 N1	286.27405	286.2744	0.1473355	286.2741	28779	27747	18516	31992	16891	14388	58219	6203	18671	13567	19246	19862	0	17659	11279	9026	13655	15018	8806	8130	7726	13597	11519	10080	25110	71332	80356	43029	8326	10500	12421	18703	15465	15544	11574	9200	12944	15920	14337	14539	13416	17778	36922	37965	34523	13822	15120	65445	20477	11069	24114	27151	22889	36342	16445	19698	30736	14311	10579	18112	10169	14908	13965	20518	19373	11245	14711	15886	10043	12959	13506	14182	19012	10418	7555	18289	34721	14149	18341	9758	18454	20601	13952	3405034	22694	13178	22022	17783	20225	10450	12016	9688	9213	18630	8507	50000	26571	18545	24199	21239	18617	11243	25625	7428	15405	15465	18105	40033	17482	14521	Lipid	0.11764706	2.0588236	0.05882353
20	C17 H35 O2 N1	286.27405	286.27444	0.16922362	286.2741	16334	8932	17730	10723	1483	10439	69121	13567	1464	5939	8291	16483	2212	4678	21020	13806	13780	6706	0	12369	13588	0	0	13443	34137	559628	109093	109518	8700	10692	4571	9198	2270	4841	0	13315	3311	6083	5430	3420	3869	9675	27732	34742	37188	7809	16081	22071	7849	16317	16205	10590	5634	55525	3486	4084	4199	0	14437	10131	7665	10693	0	4513	10107	1845	6000	2988	14917	1943	3388	4239	4871	14115	7721	3442	49636	10228	4322	16076	0	0	6273	8780945	7591	20917	2625	3644	3928	2844	0	3819	6013	6072	11590	18944	15271	21183	2409	0	4480	4100	4474	16054	27606	4332	5039	37034	5800	0	Lipid	0.11764706	2.0588236	0.05882353
18	C17 H35 O2 N1	286.27405	286.27423	0.17072548	286.2741	0	0	0	0	0	0	2800	0	0	0	0	0	0	0	0	5525	0	0	0	0	0	0	0	0	0	2769	3073	0	0	0	0	29380	0	0	0	0	0	0	0	0	0	0	2798	0	593	0	0	700	0	0	0	0	0	0	0	0	0	1624	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	413	0	0	0	0	0	0	37513	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.11764706	2.0588236	0.05882353
12	C15 H10 O6	287.05502	287.05545	0.18401094	287.05505	24233	35753	29147	31444	41337	19103	10869	14239	50635	36737	31743	13721	55180	19654	16999	26364	12078	59600	66490	27596	36613	54802	24627	17771	11070	7678	14361	17179	12674	8721	9959	11864	25029	10316	56185	11012	23566	17991	17603	17624	29579	24140	1920	573	1332	14906	22342	1391	11467	9657	30252	29445	30061	1088	54973	39062	24253	24876	11560	10685	20384	17117	69894	49280	18290	51343	24289	17649	0	14614	24451	9074	5548	5362	12368	10155	927	12582	34473	21643	28425	16916	7956	7804	45239	28972	38241	25369	28731	31727	16135	23864	30411	39559	44565	1583	28758	29222	39768	52145	44242	26998	16395	14226	0	20392	34540	704	14068	63598	Phytochemical	0.4	0.6666667	0.0
20	C15 H10 O6	287.05502	287.0554	0.15416075	287.05505	18689	25584	22505	20760	38346	21248	12938	8600	33439	9157	10845	8774	67984	32415	15228	17918	14109	44849	47375	8443	9754	27287	20613	24420	15328	7251	11757	9100	10758	5245	8802	7916	15381	6487	26495	6686	20849	10796	10007	6043	10277	17610	7223	4483	3398	8660	10988	9004	10479	8263	17309	23899	29078	4253	25666	44756	21596	17228	5338	8265	18283	3893	50022	32161	14581	49741	22557	12862	6000	4328	3907	8462	7571	5042	8755	9561	2853	9824	28771	21381	23223	8126	6256	8576	52958	28536	31130	27472	23597	26391	27543	13942	22037	18665	12356	5966	16089	21655	28426	140327	107515	16784	11361	6829	7966	22363	26539	5266	17392	52242	Phytochemical	0.4	0.6666667	0.0
18	C15 H10 O6	287.05502	287.0554	0.18374422	287.05505	44383	36769	39592	37015	51875	41647	20337	21040	43169	28646	26065	17081	90006	39316	24663	34653	23125	102484	84885	17725	20417	42603	31980	33016	27798	8922	18020	15474	18633	14306	15308	15560	37188	15909	34949	13751	29748	25440	20337	14933	21761	36146	4133	2273	3260	23036	15294	4645	19169	10827	41718	38089	48611	3049	58967	47399	29920	37423	11362	9454	29060	14818	83653	49125	27643	88219	41888	21423	11954	6417	11785	15265	13574	6868	8673	20501	2100	16425	59055	27899	38728	23634	10116	12039	62376	38733	58699	50565	47720	48722	356385	190873	48828	29502	38782	4441	35842	40481	38887	51925	55744	26604	15936	12529	11047	32655	38190	2839	32840	78419	Phytochemical	0.4	0.6666667	0.0
10	C15 H10 O6	287.05502	287.05548	0.20538437	287.05508	21454	16151	13392	13844	24642	12316	7127	6668	30294	20403	17681	7539	35233	9684	8313	11464	7540	30095	33695	13006	20065	27097	15050	8152	5357	5202	9168	5819	4285	4798	6263	6803	12613	3819	25880	3735	10055	9824	9313	10934	14701	12219	935	739	1095	8931	10002	1041	5405	4628	15348	13025	17614	615	31627	26940	13076	12008	6440	8076	11987	5663	40021	26599	13320	31874	11750	14695	8954	8324	11333	3642	3628	2287	6625	5750	877	5718	19236	11111	15550	10026	3481	3462	27656	13298	19509	12977	13989	19277	5788	8255	11576	26185	25381	1353	12066	15671	23779	30461	31446	10058	8625	5130	0	9438	20009	847	7444	38632	Phytochemical	0.4	0.6666667	0.0
22	C15 H10 O6	287.05502	287.0554	0.18754716	287.05505	10964	6643	7365	5897	20956	11342	2925	4351	16727	6843	2436	3404	20289	6935	7381	5104	6213	21615	13769	3752	3099	11945	7337	7422	5088	2373	4289	2397	4759	4065	2106	0	6396	6105	10998	2693	6445	5500	6353	2998	3938	9158	0	0	1951	5863	5006	3193	2287	4380	8246	9452	12263	2647	15677	15186	8560	5358	2142	2036	5727	1687	23760	16279	8841	23572	8701	6994	2079	4310	2424	3297	2381	1780	2655	4654	2162	3536	15775	7826	11757	4375	2769	3588	28343	9980	14341	12115	10303	10565	11156	3144	8332	10095	9505	0	6681	9293	13770	25263	18701	7019	4982	4733	3994	7274	13529	0	7906	26327	Phytochemical	0.4	0.6666667	0.0
16	C15 H10 O6	287.05502	287.05542	0.1497629	287.05505	48432	56960	40407	40316	77117	51439	24974	22005	72531	48966	29853	21202	107938	46386	31920	36014	22740	129324	120518	31014	35954	63172	40723	48080	25694	11256	20379	20182	23847	16022	17911	15130	37301	16056	66203	22836	39076	27685	27055	24462	24344	40107	4725	1683	3219	20039	21687	4293	21949	15098	46960	49976	56022	2250	63298	51113	37140	39428	17359	19750	31852	16809	96703	72242	32734	98107	46715	23867	14653	18070	21085	22023	14319	10084	16719	23029	2638	20445	57093	44761	39136	25715	14062	15690	72165	51315	62509	54119	57402	45741	322196	81475	47181	47204	60570	3379	46146	47484	54683	66956	66181	35413	22506	19751	13380	30661	49573	2178	29747	98580	Phytochemical	0.4	0.6666667	0.0
14	C15 H10 O6	287.05502	287.05545	0.1923567	287.05508	47530	46788	39709	43109	63211	43284	21865	17820	66186	54690	42022	21456	101412	36949	31153	32492	27484	97695	106691	34267	40729	59956	36924	27409	24892	11633	25471	15991	16135	17127	16941	20080	37941	18271	65017	16123	39002	30960	24641	32261	29269	39616	0	1011	1234	19979	34002	2198	19965	13748	40862	34198	53660	979	71947	56954	36187	48064	17224	20908	25781	20738	97910	79845	31531	82846	45797	33450	13142	17344	18147	17014	17478	7982	20566	18670	1173	21444	55783	47257	41743	23762	13899	14621	66901	40866	55661	48928	54742	55433	33493	27204	41093	60683	59956	2371	43387	36506	52854	69119	69464	36371	22695	20247	0	28062	45928	1193	22640	79767	Phytochemical	0.4	0.6666667	0.0
14	C12 H14 O6 S1	287.05838	287.0588	0.21249184	287.05844	8358	6644	8709	7108	16358	13415	0	2934	15659	12129	6615	2409	28874	6738	2566	0	2095	23036	15045	10272	11612	12337	2233	0	3227	3138	1666	10175	0	0	1407	0	3224	2610	17800	1877	5572	1150	1551	15283	10422	5581	0	0	0	5806	9130	0	2762	0	5881	5777	10247	247	14939	12189	5225	7572	6871	0	0	7623	10238	10963	3232	13081	4896	2500	0	3390	4525	1737	1053	0	1241	1505	0	1413	3837	15303	2089	4948	4323	5779	8186	4058	3478	6200	9281	5493	23377	37639	4741	26746	25614	0	7089	6832	10872	12864	10818	2556	1653	11394	0	2889	10932	0	2751	20393	Organosulfur	0.5	1.1666666	0.0
10	C12 H14 O6 S1	287.05838	287.05884	0.22250703	287.05844	4281	5324	3681	3830	12085	5228	1342	1368	7519	10450	6050	1638	15501	4523	0	1443	2867	15337	12006	6240	6456	11442	2189	0	2627	3308	1433	5981	1521	1477	0	3196	2362	1534	8155	2341	3137	1391	2890	7878	10463	2988	0	0	0	3532	6312	0	1221	1740	4276	5600	6680	0	7020	8824	3953	2832	3722	6723	0	5472	5226	4677	2283	10786	4370	4724	0	3537	5722	988	0	0	1724	940	0	1580	3785	9315	1054	3675	3917	3075	10081	4594	3738	3582	3076	3277	11480	14618	3494	15505	21389	0	4097	4502	5255	9020	10664	2344	0	6394	0	1653	8813	0	1860	14781	Organosulfur	0.5	1.1666666	0.0
12	C12 H14 O6 S1	287.05838	287.0588	0.14348075	287.05844	7130	8908	6690	6383	14780	11414	3226	0	11864	15696	9764	1083	15472	6753	1968	3811	0	13945	13980	7882	9128	18101	1389	0	3682	3160	2433	0	1987	1599	1175	2746	2898	1747	11722	1784	1908	2169	1754	12635	10990	4054	0	0	0	6258	6750	0	1169	1420	5435	7091	10117	0	8675	8578	5356	4180	6411	11897	0	8114	8108	6755	3031	13938	3980	0	0	4273	6248	0	0	0	1410	0	0	1118	1850	0	1737	5902	5041	7166	10873	3408	3029	4435	5396	0	21141	34296	0	24020	33701	0	4573	6745	10171	10107	9566	4627	1571	5129	0	2398	13023	0	1612	19899	Organosulfur	0.5	1.1666666	0.0
16	C12 H14 O6 S1	287.05838	287.0588	0.15603316	287.05844	2431	4390	4761	2540	6988	10057	1216	0	8154	4865	3940	0	23091	7691	1642	0	0	19646	10880	3894	3995	7058	1935	3893	1934	1355	1124	3781	1511	0	0	0	0	0	7036	0	2991	1673	0	6393	3592	2603	374	0	0	3136	3369	0	0	1295	5182	3820	8059	0	8492	5921	2363	3313	7287	0	0	4208	6563	5783	2569	7250	5403	1342	0	0	2124	0	0	0	0	0	0	1594	0	5928	1105	4211	4136	1943	5882	4217	2877	4483	5818	0	13493	20475	0	8151	12794	0	4809	4239	3873	4862	5761	2529	0	1862	0	0	10072	0	2397	15803	Organosulfur	0.5	1.1666666	0.0
14	C14 H10 O5 N2	287.06625	287.0667	0.22999929	287.0663	7611	12255	4916	7942	9710	6884	5071	3853	7686	9994	7215	6562	6616	3710	6407	11179	11289	10981	12544	3417	6725	13413	5804	12302	6867	1493	6581	0	5892	3564	3260	0	10115	4605	12040	4251	9129	7800	20598	11776	18451	10210	0	0	0	7143	13243	0	5695	6224	9846	7949	6169	308	5821	4440	4999	12039	6050	8670	0	6517	11296	8362	5208	6359	7863	15586	0	2616	4104	4768	3474	2794	7073	4708	0	5847	14720	0	10013	5222	3801	6876	8049	3454	14042	10240	4982	39294	11955	8069	23491	19012	12518	0	6532	7941	7799	7047	6674	6535	5612	6076	0	9396	2304	0	8251	12587	Unclassified	0.35714287	0.71428573	0.14285715
18	C14 H10 O5 N2	287.06625	287.06665	0.19172163	287.0663	4503	4357	4282	5435	3938	2761	2389	2970	2494	4583	1915	3324	1746	1901	2627	8269	8293	2742	2264	2019	0	12565	2981	7344	1867	0	4594	0	0	2495	2490	3063	7622	0	0	2110	5136	3537	9897	2270	18300	4711	447	0	464	2026	4291	597	3169	4209	6406	2824	4517	339	0	3083	2341	5897	3366	8130	8007	4464	2533	3413	1421	1980	5114	9604	0	0	1962	3197	2844	0	3261	0	0	2667	8618	9744	6585	5862	3947	0	2472	3029	8833	5538	6204	20068	6677	5114	13557	8498	8758	0	4856	4469	2261	3029	2299	5308	4428	3319	1610	6147	0	0	4981	4769	Unclassified	0.35714287	0.71428573	0.14285715
10	C14 H10 O5 N2	287.06625	287.06668	0.18100454	287.0663	6851	7635	7257	5661	7925	6581	3755	4382	6601	11636	5952	4976	11254	2620	3680	7569	6441	14705	13125	6351	10757	16804	6338	4741	4626	3834	3257	2677	3901	3599	2947	4730	8170	2437	10090	3079	11404	5272	14268	12328	18165	6167	0	0	0	5797	10986	0	5165	4292	7424	9987	5751	0	12962	5294	4628	10489	2460	4329	0	8238	12769	11345	4879	9822	5433	13500	0	8533	11390	3106	3910	0	3970	4817	0	2967	9637	5547	5746	6332	1914	3789	7680	4265	10599	9971	7572	22006	5038	4753	15157	12300	11728	0	9540	5222	6307	9325	8497	9705	4315	4232	0	8180	3519	0	7530	15431	Unclassified	0.35714287	0.71428573	0.14285715
12	C14 H10 O5 N2	287.06625	287.0667	0.23800194	287.0663	7980	6688	7581	6914	10688	5238	5315	3939	7967	5950	4699	5655	8552	2832	6504	6460	10362	12308	13655	7835	11742	18730	8660	5235	4024	2200	4638	0	4376	3741	4994	3647	9305	2952	9921	2699	9818	6280	13255	12707	22383	7240	297	0	0	6725	7526	0	3078	3345	6198	8643	8488	0	10903	5259	5549	10101	0	8282	0	5286	12871	9037	5180	13823	7001	11263	0	4987	9797	4791	1816	0	3612	4265	0	5748	14192	0	10875	6650	4103	6145	8173	6071	16372	9346	8344	29515	4724	7506	17796	18939	12643	0	7705	7027	5906	7724	6741	6059	5409	5873	0	12620	4069	0	7796	17442	Unclassified	0.35714287	0.71428573	0.14285715
16	C14 H10 O5 N2	287.06625	287.06665	0.18303585	287.0663	4945	5004	7997	8550	6145	2828	5108	6669	4992	4307	4381	6997	6055	2579	6206	11001	14214	6584	10774	3866	5408	16881	6722	9065	6319	0	4660	3694	5183	4597	6826	5761	9370	6880	10662	4456	6581	7641	13283	4735	22083	5976	707	0	0	5624	7196	458	9884	6007	6796	8524	7757	382	4120	3454	3179	14084	1368	8272	0	8527	7427	4565	2762	7759	5632	16274	2282	0	4373	7315	5664	1734	7638	7247	0	3138	9788	14332	8242	5331	2578	4384	5462	3632	16422	8741	9635	48527	8033	11662	0	14204	15488	443	7833	9102	0	5122	5338	8872	4092	6745	3541	15324	2249	0	7294	6886	Unclassified	0.35714287	0.71428573	0.14285715
8	C11 H14 O5 N2 S1	287.0696	287.0701	0.19945495	287.06967	8637	6557	5598	8424	7299	4327	4236	6274	5051	2076	2443	6178	6171	1831	5395	11863	7517	10101	8215	3070	3557	13904	7225	13579	6446	758	4257	0	7016	4192	6971	6176	8702	4820	4943	3480	10516	4874	9649	4837	6149	4851	0	0	0	12368	9152	0	7424	5802	7945	8173	5322	0	7575	2521	4248	13796	5436	6096	15194	2042	4121	5350	3378	6095	6722	11401	0	1141	0	4917	4063	2032	4696	4390	0	3196	6159	4085	4912	3608	2559	1984	3484	0	7697	7871	6866	12042	20230	17809	22161	2862	2968	0	9386	6045	4157	2795	4213	8247	3712	5709	0	17171	6074	0	5627	9080	Peptide	0.45454547	1.2727273	0.18181819
18	C11 H14 O5 N2 S1	287.0696	287.06992	0.13975035	287.06967	5050	3042	3661	4587	0	0	4438	13650	0	0	0	5131	0	1499	5059	12829	15199	1783	0	0	0	4135	5929	9925	15047	0	4456	0	32056	18520	21653	22691	14691	26546	0	25038	14264	4022	16026	0	0	0	2376	0	613	5872	0	614	20651	8214	9851	3759	0	1067	0	0	0	17156	0	0	12866	0	0	0	2024	0	0	19140	0	0	0	19535	18505	14730	10485	35070	567	10954	2060	0	1318	0	0	0	0	0	3618	5899	2236	2227	0	0	18417	0	0	1449	4012	2564	0	0	0	16150	5582	1978	0	27826	0	0	3172	0	Peptide	0.45454547	1.2727273	0.18181819
4	C12 H14 O8	287.07614	287.0767	0.16536245	287.0762	8565	9611	7307	8926	22682	11117	3144	3680	21975	2961	3895	3793	45684	10055	3941	4352	5500	26341	23984	4075	5096	5824	6193	3989	1467	751	2337	0	2718	2899	4145	3785	6453	4552	5323	3371	6504	3930	6051	2393	3002	7822	0	384	468	2774	2344	604	3144	3773	7959	6951	13685	650	21362	29661	8063	5185	2857	2973	4281	1530	44403	22757	9112	26806	7769	6723	2303	0	0	4055	3423	3319	1631	2582	400	3471	5427	0	4448	1051	1622	712	30581	9711	5894	11881	12003	5386	3215	3811	4490	3625	2263	809	8386	9553	17858	47804	41863	7407	4027	2935	0	4532	19327	301	1751	45149	Phytochemical	0.6666667	1.1666666	0.0
14	C12 H14 O8	287.07614	287.07657	0.16716231	287.0762	22078	25527	22419	17275	47695	40856	7639	14026	78841	11207	8836	16699	108589	31610	17364	7505	13464	92150	75642	4427	16319	12839	21748	8929	6288	1711	7713	0	11938	13973	10780	9221	22859	11252	11500	11730	27675	14978	12988	5194	8768	33852	0	812	1193	9639	6119	1330	11866	9337	22616	17274	40774	742	94652	48683	25713	11392	11723	7299	0	6920	111211	85651	22908	66178	35278	12188	0	3983	5256	11006	9410	11376	9622	10412	783	14726	14391	0	12275	2618	5763	1477	48719	26427	12974	25820	31142	8412	14826	22284	13864	9269	7032	1341	24948	23421	37183	47523	41215	24063	14182	7014	0	15078	37983	965	6747	112021	Phytochemical	0.6666667	1.1666666	0.0
12	C12 H14 O8	287.07614	287.07657	0.13991101	287.07617	39740	42161	46057	43235	107135	69200	11378	13568	147810	15474	19598	19694	189858	54971	25050	16030	25277	161847	145180	17191	33433	23541	32847	9499	10819	0	11836	0	22136	14684	19119	23883	45669	19234	27696	17036	36828	24428	22497	10990	24265	51315	2163	900	1250	9588	12579	1481	20538	14352	39634	40000	86781	677	178300	97063	48920	19900	17055	13429	0	14641	223863	155550	36553	139416	62514	21829	0	5659	13233	15430	17460	17465	19579	15684	803	21461	20321	0	21602	10710	5385	4670	83491	40312	23605	41888	58499	16370	31479	43203	20554	16203	11042	1139	51099	41133	97514	91765	86753	36116	20551	13069	0	19471	91207	962	7160	275503	Phytochemical	0.6666667	1.1666666	0.0
6	C12 H14 O8	287.07614	287.07663	0.16264416	287.0762	24170	28386	25024	27687	77987	31842	6877	10730	81222	15095	17348	9257	152820	29576	10696	16297	13548	98907	88073	11829	22423	15980	14360	9568	3397	1361	7573	3744	12001	9439	8790	13307	18760	14483	19977	10925	21079	10786	14636	5486	10453	25729	1283	322	638	5702	9597	452	12409	7359	26149	24211	45685	556	80921	91018	27581	12913	8259	8929	13414	5769	141651	77922	22155	91358	35149	16775	4880	4206	6303	10730	12826	11044	8005	9789	586	9318	12800	4910	10745	4216	3550	1699	86955	30488	15833	35868	30573	13148	15668	15668	14083	11841	11379	474	25145	27889	49330	110833	124359	20611	11703	9710	0	13154	72214	372	6557	161783	Phytochemical	0.6666667	1.1666666	0.0
16	C12 H14 O8	287.07614	287.07654	0.15680224	287.0762	11299	5695	12908	7891	21476	19132	6141	5175	29131	3567	4447	8537	36356	11288	7304	7572	6328	30769	23803	3026	3531	8004	10132	4165	5432	0	5507	2498	5639	4969	6728	6034	11936	5177	6099	7458	10140	7179	5302	4826	4978	13763	1464	1002	1954	2987	4166	1400	6243	4168	8669	7109	19194	904	23904	16105	10274	8354	3547	4252	6821	4863	31342	31618	7364	21360	12177	5505	2515	2319	1310	4480	6473	6509	3879	5194	1239	5545	6672	0	6874	3403	1142	3373	19839	10170	5447	12935	15370	0	5474	7100	0	3416	2194	1045	13413	8715	15465	15736	16751	10155	7439	3358	0	0	16395	1077	3939	50005	Phytochemical	0.6666667	1.1666666	0.0
8	C10 H14 O4 N4 S1	287.08084	287.08124	-0.3190088	287.08075	49181	52199	40278	55979	155782	69448	14311	19549	181711	32133	36616	22448	302362	107873	20962	24955	30494	189674	179067	24863	37353	33432	30238	16196	6942	3103	15606	13859	19896	19818	16802	21436	38732	20577	40313	18841	39412	18975	34694	20792	34924	61665	1547	513	800	14773	19634	658	21729	15046	53037	48263	99765	814	198995	161524	67624	20771	13786	19911	25966	14425	281681	201350	52977	203702	84546	32791	9041	7943	15359	16573	23376	16841	27071	18763	368	17692	24352	17838	19564	10014	7266	2837	170218	51314	28954	64435	75519	30752	24513	29478	29554	30151	21193	880	49337	55183	115740	230031	211153	42954	20076	19125	0	21286	150302	549	10023	318707	Peptide	0.4	1.4	0.4
20	C21 H11 Na1	287.08313	287.08316	0.3252551	287.08322	0	0	0	1729	4008	0	0	0	0	0	0	0	0	0	0	0	0	133868	0	0	0	0	0	0	0	0	0	0	0	0	0	15115	0	0	0	0	0	0	0	0	0	0	6452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0	0.52380955	0.0
8	C11 H14 O7 N2	287.08737	287.08786	0.19806215	287.08743	7543	7095	6598	7431	11377	7754	4295	5483	12655	1727	2959	5885	13451	4008	6181	9058	11284	17189	16985	1459	2297	6863	5440	5869	2280	0	2739	0	5698	3924	6150	6851	9334	6790	3607	7524	10425	5370	13409	3028	3443	12260	0	0	0	0	1608	0	9049	6032	9007	5311	9384	0	15355	7280	6629	8308	2369	5375	7888	0	18256	14447	5532	12661	10361	11384	0	0	0	6294	5754	4520	6505	5573	0	3943	3815	0	3676	1250	1638	0	8902	4572	5127	12945	13683	11510	0	0	17201	2740	0	0	7252	7017	6895	6975	6366	9084	5754	3705	0	9057	10639	0	3736	27902	Unclassified	0.6363636	1.2727273	0.18181819
2	C11 H14 O7 N2	287.08737	287.08795	0.15859117	287.08743	5498	5595	3464	5157	8691	0	1790	6051	7839	1519	1038	4177	13567	3660	2975	274	2679	9684	11718	1204	3310	7003	3726	5460	1508	0	0	0	5607	2716	4627	4543	9770	4806	2415	4012	6788	2023	3177	1483	1324	6191	0	0	0	1799	1323	0	5010	2846	5244	3997	8291	0	7718	4458	3610	7207	1351	1173	1612	452	17615	10293	0	12683	9706	4484	0	585	0	4799	4720	3835	0	3884	0	2879	2958	0	2811	0	1176	643	4921	2569	2554	11426	8152	6633	0	2326	9368	890	0	0	6261	4269	4083	4554	4487	6446	3913	2210	542	9161	4287	0	1770	24167	Unclassified	0.6363636	1.2727273	0.18181819
10	C11 H14 O7 N2	287.08737	287.08783	0.25037313	287.08746	3116	3395	3613	2669	6214	4450	2550	4303	6683	1546	1912	4225	5792	2472	4290	5504	4850	7111	6744	0	0	5565	3597	1803	1461	0	3157	0	3585	3694	2861	4320	6649	4237	1722	3695	4343	3994	3468	0	2056	4398	0	0	0	0	0	0	3858	3363	3582	3674	7503	0	8054	4543	3232	3697	0	1861	0	1294	5744	7638	3426	26740	5370	3126	0	0	0	3022	4802	2190	3506	3209	0	3330	1964	0	2699	913	1499	0	4767	2836	1901	6293	7436	6713	0	2315	7475	1561	0	0	4441	4393	3241	3753	3260	8383	4970	2902	0	7510	3298	0	1449	10140	Unclassified	0.6363636	1.2727273	0.18181819
10	C16 H14 O5	287.0914	287.09183	0.14336456	287.09143	113873	106076	88123	88703	75826	53588	61541	88150	91877	137354	103203	71227	91577	50353	70774	99109	82983	95676	112367	137608	143191	120367	78146	99398	44662	161898	66417	79198	76422	73409	67207	73206	97339	64578	171653	65497	85989	69501	93002	113387	138175	59112	9509	5136	8515	90091	103858	8142	80250	69500	88601	103746	69872	6522	115051	76678	49702	106612	68776	83304	94053	73089	95564	93004	44245	91169	53233	98864	178441	188425	235602	73876	65722	63998	70786	81061	7184	60651	97207	73378	104195	78461	62057	69559	88882	59435	104244	61166	70345	103668	69588	67638	107887	95347	122399	9778	96959	96119	82315	81858	86449	85845	70622	81710	69067	80888	71602	5961	64283	99017	Phytochemical	0.3125	0.875	0.0
18	C16 H14 O5	287.0914	287.09177	0.15867755	287.09143	238915	259809	230806	223727	304941	207195	134863	170940	216962	399402	289192	107550	363980	189246	159936	202520	132908	404787	439515	388939	350909	337685	198854	225094	154067	314896	123012	278472	153827	134310	136864	160789	228787	146808	441314	149535	230341	138206	153580	310639	318315	190309	27435	9497	14685	207201	185264	28925	163454	132194	241825	245254	226407	14972	300454	220806	159273	223741	138713	123853	204605	196354	332537	241553	132023	321583	212554	157077	285885	339156	397559	138448	111415	104724	109423	156452	10612	113670	242791	268249	219464	184504	131340	222446	268880	195134	246838	204529	216024	244493	270665	266561	273853	256223	370631	21942	237160	240515	222883	240513	246746	206386	115878	187739	125710	170658	166841	22847	154249	323938	Phytochemical	0.3125	0.875	0.0
16	C16 H14 O5	287.0914	287.0918	0.15481263	287.09143	265691	293597	258189	266249	287968	194627	154155	189622	282685	435301	323352	139887	347344	189690	176533	210041	192307	431378	432456	442094	402308	360221	211445	233325	167621	422773	134006	248647	168252	140683	172131	174525	251807	144901	531597	162385	268863	157019	188993	355476	342827	194970	18810	8216	10418	225209	241267	12044	202827	165364	274566	283711	248747	9329	286544	228504	174450	267793	167919	161810	254220	215081	355195	257751	138016	346669	226524	163762	380345	524060	545049	174519	156249	127662	173529	166188	9305	128329	262539	283697	205165	218254	158180	264425	291453	182543	290108	218065	229167	295099	261172	279445	277426	317787	381654	13703	257953	272983	231794	266283	265212	239500	131328	188780	133450	205892	213652	8385	182661	377670	Phytochemical	0.3125	0.875	0.0
8	C16 H14 O5	287.0914	287.09186	0.12590721	287.09143	50404	51925	35554	49606	39314	28248	31988	46928	48392	62415	49119	36886	46884	24944	34329	51151	46089	42663	53423	69744	70571	68615	45909	56901	22556	59682	32308	35151	33678	38371	36414	39388	45475	27676	87797	38839	44214	35607	53262	45565	69488	29881	6876	3420	6631	49445	53976	5910	43219	38194	51550	57016	33681	4486	56559	40681	30798	45381	32746	45421	48322	38997	52835	38770	27503	44925	29813	57198	75912	74255	120630	37280	36109	36633	34295	44452	4744	32569	62430	33071	54978	45304	37799	33796	48287	28631	52443	29540	37322	64199	33317	40882	58196	43888	54438	7422	50588	51792	45724	49894	47803	45244	43239	45855	24540	42136	36806	4065	33053	47109	Phytochemical	0.3125	0.875	0.0
22	C16 H14 O5	287.0914	287.09174	0.13938549	287.09143	59971	59514	43101	49260	80042	57284	28200	40895	75203	79019	68765	26096	87109	52433	41778	47703	30710	112773	82181	74314	81836	79119	55498	59397	39067	85691	24524	65127	36484	34231	32407	31873	44533	33818	95431	31018	53121	33772	29530	61266	67726	46448	16061	9507	12886	55329	61042	14607	38020	33358	51192	65100	59433	11987	82268	65868	44818	51425	35222	28331	44453	44305	91478	62670	34178	87869	51764	31892	70732	90892	109289	35613	30132	25027	21181	35935	11614	32180	60966	68406	54947	46602	29311	48933	78867	48769	54275	52783	47824	46125	58607	45912	55618	64053	84315	14832	47812	56142	56408	76974	69880	48962	35070	42346	48628	43863	55780	10540	40229	113505	Phytochemical	0.3125	0.875	0.0
20	C16 H14 O5	287.0914	287.09177	0.1514963	287.09143	142341	143926	122587	123395	168820	142438	64308	91071	169569	216382	153718	71739	225841	129037	93271	105721	70772	243309	244239	209460	215144	187650	119135	122861	99624	186278	65890	164373	102899	73470	81630	89238	134358	81172	257089	81321	141815	84936	85628	170874	159386	110249	19204	12830	12559	127562	130558	16227	85937	70848	124530	142627	138450	14139	172919	131119	95098	126031	85868	79680	121808	116156	218870	145110	82581	200285	118014	75619	146925	195377	206750	81585	66172	65075	60359	78566	13136	65659	136809	160608	113467	102928	82733	136689	156575	109570	127101	122688	115423	122943	173794	173745	159603	163321	175473	18096	143801	135938	127076	144113	148009	123413	75098	122256	97225	106321	118763	15008	93855	233635	Phytochemical	0.3125	0.875	0.0
6	C16 H14 O5	287.0914	287.09192	0.16893256	287.09146	25434	28131	20067	23195	14108	13137	16145	17303	25356	26902	26744	15467	20406	14134	16624	22204	21961	20525	23554	22833	29233	29819	21579	25591	11480	19606	14039	18689	18164	19202	18315	18410	25696	15382	31379	19462	18388	17575	24090	17914	26807	16046	7002	3227	5844	24667	22857	4934	18457	19480	20486	20614	15622	4634	25753	20651	16911	26512	13864	22849	25990	14678	24310	19275	12927	19462	14867	32695	30795	23384	36554	16229	19222	17770	12195	22823	4610	12219	22431	10513	20075	21419	16805	10723	20694	15493	21273	15066	20317	27025	11280	16511	26376	20981	20163	6173	18021	20961	18843	21639	21923	22031	20679	24153	19277	19777	14393	3340	17205	24126	Phytochemical	0.3125	0.875	0.0
16	C13 H18 O5 S1	287.09476	287.09515	0.099620715	287.0948	10423	13405	12424	11982	24651	19941	5167	4630	11976	20803	14565	4942	22993	10027	6535	12087	9614	27284	20922	27933	29135	20118	6068	8568	12272	3235	9718	14147	8956	3401	3727	6314	9469	7489	15313	6020	14280	8350	12012	19478	8358	11328	517	0	0	16923	14996	0	8222	2487	7511	10640	17281	0	8723	11641	10747	14612	17016	13977	7469	11060	10042	10575	5874	22954	13328	9060	4586	3734	5680	3810	4252	4086	7218	5806	0	3165	8813	19863	3107	9688	12820	15431	13863	13961	18086	10429	11894	0	48856	55635	0	20936	38427	0	14846	13444	11735	19239	23070	10898	1955	13022	8022	11740	15295	359	7793	21595	Organosulfur	0.3846154	1.3846154	0.0
22	C13 H18 O5 S1	287.09476	287.0951	0.18245292	287.09482	0	1906	1776	2079	2285	3873	0	2190	1820	3247	0	0	0	0	2138	1369	1830	2819	0	1929	0	3667	1090	1551	2790	0	1112	2858	3311	0	1078	0	5225	1842	0	1861	6603	1798	1919	1322	0	2644	0	0	0	0	1239	0	0	2851	1724	2609	3740	0	0	0	1953	2432	2038	3088	0	0	0	0	27495	1455	3096	1629	0	0	0	0	1158	1265	1147	0	0	0	2924	1324	1109	1859	2347	0	6232	28803	0	3062	3293	2625	3322	8996	4960	2273	2502	0	1658	0	1128	0	3513	3528	1120	1728	3054	2257	1659	0	2789	0	Organosulfur	0.3846154	1.3846154	0.0
18	C13 H18 O5 S1	287.09476	287.09512	0.06117341	287.0948	10243	15201	13039	8517	12023	14075	3980	4049	9784	18365	6638	2114	20500	9143	5532	8077	8729	17700	16156	23863	18425	19283	8534	3785	9308	2171	5014	11094	5374	4460	3700	6041	6236	6955	26041	5213	10875	5135	9100	18932	9047	13070	492	0	0	14369	7773	0	4642	0	10147	10267	14738	391	7807	9870	9020	13860	15156	8687	10418	10657	7529	6254	8047	16207	14247	6096	1716	2150	0	2354	3510	2261	5518	0	0	1741	4768	16152	3538	11884	8924	8451	8941	7273	5597	7319	12480	7716	52182	60347	10874	16815	33315	0	7598	16583	11035	10093	7938	10318	2927	19873	10819	5321	12872	0	7170	13152	Organosulfur	0.3846154	1.3846154	0.0
12	C15 H14 O4 N2	287.10263	287.1031	0.16749394	287.1027	58065	61182	53321	59364	40704	25943	53663	56178	29371	69439	66349	31065	31231	74340	32916	58616	73596	37508	53087	79489	92719	94959	37543	58857	41332	94810	45682	48098	39719	33055	41354	38358	61849	40116	83428	33430	50761	38848	78019	93555	168485	32794	6887	0	389	60130	79466	520	44751	42931	57322	50178	32174	432	37563	22860	23198	66191	31104	66938	48472	55720	37602	24317	20503	34630	35056	78852	98755	117873	154240	33472	25635	20432	38539	36003	367	32622	64862	80728	47940	47321	36742	59262	30753	23862	66399	36115	35198	156633	60159	65788	96943	78223	78073	822	55911	58206	24878	25904	26021	44499	33935	44787	28540	67664	24288	347	62327	36263	Peptide	0.26666668	0.93333334	0.13333334
6	C15 H14 O4 N2	287.10263	287.10315	0.18574	287.1027	37387	38159	35017	35264	24877	20825	22542	28990	25141	68270	56062	22110	22773	17665	26413	35910	36303	27248	39384	54081	74714	47417	27124	41384	20061	70407	23521	41715	24637	22535	25190	28316	43756	25120	69626	24566	33583	23756	46942	43266	89379	20924	0	0	264	43476	69421	328	38283	25910	34874	39757	24913	291	24329	16485	14326	34172	10252	24864	34083	35356	26969	19415	11501	25295	23776	48725	76836	90112	149254	22440	20688	14961	19333	21835	223	18453	30941	36773	26530	25636	14553	32641	22254	17928	37532	26722	24825	64546	23318	26577	54810	54936	68158	442	30759	31739	15084	21929	23446	37888	19259	29247	22509	31662	15867	0	23339	28093	Peptide	0.26666668	0.93333334	0.13333334
18	C15 H14 O4 N2	287.10263	287.10303	0.17706224	287.1027	16026	13235	12022	12759	6667	9491	14131	13412	5207	13890	13013	10606	4863	9163	9384	16364	22636	13225	9076	13330	14139	21832	11608	22538	13302	14591	14509	18934	9223	8945	10569	8732	22168	9460	12223	9727	23974	10820	24361	18542	33683	12214	1162	412	651	7412	18224	679	14235	12645	14271	13731	10789	544	5864	4869	5986	16111	7212	17220	16110	10679	6073	4390	4733	8921	10201	22471	22757	10766	29066	9168	9644	5988	10374	10004	322	7131	24895	27157	19325	11960	13685	13107	7126	8961	21225	16165	12470	55189	18042	20561	35348	31749	23939	683	15083	13494	6272	5716	6962	14286	8053	10379	6210	19616	3963	476	18945	12207	Peptide	0.26666668	0.93333334	0.13333334
8	C15 H14 O4 N2	287.10263	287.10312	0.12071161	287.10266	48429	47488	40111	45568	24986	21293	27855	36328	21044	78399	70328	28754	23540	15618	28784	49488	47285	27001	38482	74272	88879	68802	31512	46425	28238	79439	31103	45457	28625	31644	28485	30777	42892	27315	78189	25248	47222	29250	66155	80072	119966	25153	0	0	376	63733	85497	314	42602	29380	45661	50289	27913	262	30956	19054	20563	41250	12986	35766	35609	46266	26473	25866	18939	29233	28399	69318	85909	102404	162130	28648	23559	18302	28862	29853	0	24557	52960	53467	41610	30513	19956	48266	23844	15963	44584	33924	29666	99005	37501	38475	75458	66882	82191	641	44072	46735	21236	24517	23628	48025	21650	46307	23954	44036	22903	0	40043	29186	Peptide	0.26666668	0.93333334	0.13333334
20	C15 H14 O4 N2	287.10263	287.103	0.17403015	287.1027	11290	9083	7064	6868	12127	10839	16195	9301	5957	3938	4805	10059	6575	16250	7527	12465	20033	7223	10251	2757	4784	10997	6554	12819	11189	3655	16400	6275	4867	4775	17294	4702	20491	8045	5559	4696	23410	8101	23894	5376	12820	6892	1140	0	543	6341	9864	847	8663	4980	6929	10932	12022	1013	5422	6082	6948	8663	2901	9295	10922	2436	5525	5335	6009	10492	11227	33349	6659	4834	6692	6633	5330	3609	4307	3303	573	4394	17290	12445	15341	5424	5587	0	8562	5183	13900	19698	10795	28442	10763	9535	24487	9178	3673	821	7397	8223	5866	9685	9076	17321	6965	5226	3554	15234	6027	1096	18150	8784	Peptide	0.26666668	0.93333334	0.13333334
10	C15 H14 O4 N2	287.10263	287.1031	0.14914608	287.10266	61941	57767	51384	50033	39333	27057	38472	46306	35933	80017	68442	28322	31303	34071	36121	59295	52510	42603	51738	76923	94809	82593	39383	61274	32613	100251	44199	63383	34243	34077	33175	40708	51615	39824	85203	31961	56162	36911	78493	90351	143381	36378	1290	0	429	56074	80723	0	45935	38378	51648	57249	28628	451	38757	21615	22137	62740	21019	49192	58220	50418	28311	32298	21690	40031	31653	73867	112130	120059	174418	33098	29015	19493	61851	33396	0	32427	55383	70367	43987	41493	28940	57595	35655	26381	57678	44833	32524	121296	57123	44280	91028	74441	98890	622	48591	52866	20333	31264	27379	51671	25534	42900	21507	49653	23609	0	43919	39206	Peptide	0.26666668	0.93333334	0.13333334
26	C15 H14 O4 N2	287.10263	287.1029	0.3818034	287.10275	5014	0	0	2126	2198	4189	5483	7064	0	0	0	5023	0	3979	0	5106	13795	0	0	0	0	2688	0	11744	5326	0	9956	0	5721	0	21468	5013	8615	4839	0	0	6316	5005	12643	0	0	0	0	0	0	0	0	0	7959	0	3619	5255	0	0	0	0	0	5486	0	0	6830	0	0	0	3987	0	9246	20469	0	0	0	4402	0	0	8826	0	0	5960	4795	0	3639	0	0	0	0	0	2790	10209	12518	9894	0	1426	9585	0	0	0	2443	0	0	0	0	11527	4580	0	0	5456	0	0	9270	0	Peptide	0.26666668	0.93333334	0.13333334
16	C15 H14 O4 N2	287.10263	287.10303	0.17624584	287.1027	30114	27723	35762	36424	23689	18687	25928	26603	9897	38202	39737	20459	17387	14657	22993	44947	37367	28307	23198	31508	45205	55063	26528	45663	29128	40820	20732	36229	22946	17495	22138	24467	34509	26651	38118	16196	34635	23803	54924	44440	77746	21668	867	748	417	27539	49613	763	29866	23384	34222	36868	24919	577	13906	11048	14127	37763	10841	41344	37590	30189	19549	14190	12669	19642	20127	46706	40030	47524	81755	25554	19289	10526	23430	25662	433	19199	47550	67874	32336	29540	21609	37822	13997	14559	47872	28441	22008	105247	44651	43001	62341	53612	52512	712	35321	25947	12947	13758	18002	33998	17596	26228	12405	51048	12881	528	43531	15854	Peptide	0.26666668	0.93333334	0.13333334
14	C15 H14 O4 N2	287.10263	287.10306	0.1738156	287.1027	64558	53786	52237	52859	37217	32362	53506	49384	24303	74936	60829	37376	26254	19958	39560	71156	74265	36033	44179	62678	71852	111813	41540	72471	49110	70160	52269	58770	34326	40918	39848	38452	68612	34031	78442	34248	60462	36676	75341	64093	118290	35179	0	535	446	56131	72592	866	53650	42471	55123	51181	32041	385	24510	19349	22278	84961	29304	50964	61851	44870	33303	24102	19899	36145	34182	86326	73591	96707	119685	37222	32412	24216	50198	35450	364	34161	64208	86941	56460	38849	37829	53354	26012	21090	71076	50627	42081	195788	76735	71711	138882	80147	93572	1026	55055	47392	17267	27383	27930	51161	34519	50156	33187	84043	19723	612	61018	33281	Peptide	0.26666668	0.93333334	0.13333334
4	C15 H14 O4 N2	287.10263	287.10318	0.16969334	287.1027	10885	14063	14573	11547	14694	9703	6325	13137	15161	23478	20351	7059	18529	11153	10025	12729	16364	15349	17968	21688	28493	19657	11391	13208	7710	40414	9371	16335	9493	6111	8176	8585	11672	7113	30058	7923	10684	9388	21657	17118	30684	9523	0	332	364	17974	31547	570	9996	11221	12696	11053	11660	267	15497	12170	7497	10157	4073	9236	13299	16437	14283	11317	6781	15874	9085	16540	45390	37260	61670	6837	5866	5186	7867	6992	297	7671	17277	18753	13806	13448	5840	12498	19956	10255	14520	8926	8928	21051	12174	11659	23844	18630	25495	1022	10832	14230	12433	17130	15757	11887	7648	10618	14691	11586	10849	0	9696	15409	Peptide	0.26666668	0.93333334	0.13333334
14	C13 H18 O7	287.11252	287.11295	0.111549065	287.11255	177067	177729	160931	175457	339977	342828	120460	134807	540923	159641	101883	74743	691843	212850	158385	127419	101262	624383	519625	188150	176518	121290	131817	90716	121768	34400	96580	109749	205557	160561	131791	191054	296278	152984	209889	187033	240786	118517	114988	114636	62567	217009	9051	2836	3370	85887	49513	3687	152320	98977	165310	145344	335401	4017	831373	345112	154656	171282	154847	62447	125773	90923	480207	489166	137551	436971	268646	87962	46968	76717	47274	120215	154089	173036	107933	133822	2394	121467	93474	76023	73577	54347	85478	53075	285699	209018	124998	145834	230456	75173	142926	176699	105516	84727	99716	5561	178645	195169	268997	275850	288391	263081	101359	160244	40116	93393	299238	3880	68704	572100	Lipid	0.53846157	1.3846154	0.0
18	C13 H18 O7	287.11252	287.1129	0.16528755	287.11258	30030	34521	31461	39109	38960	38304	22983	30590	51393	27350	19238	18081	68420	33069	30462	34738	20304	59886	48596	26129	21004	30313	25273	21623	26896	3279	23955	13771	36129	30524	27442	37136	51862	40252	39437	32374	42090	25959	25029	18883	13575	27933	4809	3741	4505	15845	17998	3470	30614	20852	35700	24514	40626	3137	88991	37475	29551	33533	31202	18989	30854	16267	45772	46055	19351	51474	32809	24087	5392	20636	8539	24628	29050	37063	18876	35970	3371	22141	24869	11020	20435	15146	23258	16815	29956	26462	22567	29263	26196	16994	25577	36535	27824	21867	19861	5082	27961	28828	32633	36655	35934	39292	22503	25674	9053	27050	27736	4202	23307	67487	Lipid	0.53846157	1.3846154	0.0
16	C13 H18 O7	287.11252	287.1129	0.15137795	287.11258	72463	70145	79688	85224	125071	122226	50744	64001	169425	52388	45048	41110	243693	83718	79141	50966	42564	213256	193150	66265	76242	55460	68968	51054	54172	14371	40523	42259	86072	67483	74191	86896	120937	74093	84386	79697	115754	57754	51057	49254	36060	81283	6592	3488	5265	31865	19029	4238	82154	53730	74038	79163	120218	3475	226802	123824	64412	72909	67656	32728	57035	36632	141500	152026	45016	145740	107358	40509	19486	26374	20290	66145	71264	81615	45996	72011	4461	51185	49927	31464	37816	21110	44567	25789	97479	73314	56945	64420	94241	38874	61427	78495	60861	36823	36514	4212	79337	82482	90023	88568	104799	110093	44768	57325	18254	56782	113657	3536	46862	216505	Lipid	0.53846157	1.3846154	0.0
20	C13 H18 O7	287.11252	287.1129	0.17854746	287.11258	15859	14946	10379	8873	11951	14940	11915	13042	15789	9175	3336	7462	22784	11957	14051	10132	8999	16656	21031	9696	13683	13715	12970	10551	13858	1558	10101	5099	18278	12426	11413	12512	24864	13527	15928	11474	20304	13136	10926	6259	4397	11319	4246	3537	4075	6991	3633	5102	17068	11457	11921	10991	13954	3068	30743	13237	9755	14996	9236	5267	12102	6140	18134	17524	8525	16076	9527	10501	2917	4284	4001	11095	16155	14996	10884	14457	3058	10758	12303	5409	8161	3893	11032	0	13112	11601	11261	7287	12146	3653	12161	15388	16916	3732	3562	4808	11428	12792	12683	12529	11291	13073	11712	8710	6285	14394	14629	3797	10233	30943	Lipid	0.53846157	1.3846154	0.0
18	C12 H18 O6 N2	287.12375	287.1241	0.21388385	287.1238	0	0	0	0	0	0	0	2226	0	0	3498	901	1600	0	0	2986	0	0	0	0	0	0	0	1178	0	0	0	84659	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	386	629	0	0	438	2977	0	0	0	0	469	0	0	1272	1552	0	0	1740	0	0	0	997	0	0	0	0	0	1931	0	0	0	0	0	384	1154	0	3076	0	0	0	0	0	0	0	1142	0	0	14243	3739	0	0	0	0	0	0	0	0	0	0	0	0	0	1565	0	438	0	0	Peptide	0.5	1.5	0.16666667
20	C12 H18 O6 N2	287.12375	287.12405	0.3614006	287.12387	0	0	0	0	0	0	0	0	0	0	3262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	74497	0	0	0	0	0	0	0	0	0	0	0	0	0	0	543	0	569	0	0	0	0	0	0	0	0	632	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2436	0	0	0	0	0	0	0	0	1668	0	3661	3034	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.5	0.16666667
6	C12 H18 O6 N2	287.12375	287.12427	0.11253397	287.1238	61029	67363	69481	64123	56201	46919	37562	70277	77884	22166	28113	48425	81966	23111	57791	93861	77571	118667	98007	33657	38082	77531	57485	77938	32894	2138	35743	19466	59780	55094	65552	63675	94294	62842	40749	62741	84781	49663	97584	22807	36999	59595	1284	0	0	40966	41349	0	69457	59345	68092	65516	68132	521	108703	38143	41210	76391	52653	50120	82834	19613	83681	69752	39355	87884	63260	97256	7682	10303	9976	56948	55334	52188	39559	51672	231	37072	42837	18326	35277	23727	28793	7032	49338	49757	50384	76607	73988	113230	81729	110496	126288	26938	26497	458	64044	61024	40789	38748	47617	88139	51997	55025	23792	81918	64430	0	35363	161645	Peptide	0.5	1.5	0.16666667
8	C12 H18 O6 N2	287.12375	287.12424	0.106408775	287.12378	48243	55907	42809	51239	49528	45619	33600	63406	64417	23898	22027	36545	67999	22978	55674	76802	62398	81534	83780	33333	34544	60948	55459	65445	37920	2086	36159	43833	61878	46667	50472	60224	71179	54709	45295	55437	81184	43934	69076	20160	31711	56792	1073	391	447	38900	27482	0	58369	49861	49679	54513	52413	1078	96351	29754	33508	67333	40528	38238	71192	20033	66933	60446	38854	59410	48309	67721	7920	11852	8254	52943	53531	51427	33861	47542	287	40003	38392	32611	28687	19549	27532	9259	37520	40976	50600	55499	62344	77841	63899	99199	102413	25767	23031	470	54645	60727	45693	28007	33048	72291	41624	53340	19049	71078	50618	407	33754	102065	Peptide	0.5	1.5	0.16666667
4	C12 H18 O6 N2	287.12375	287.12433	0.17115897	287.1238	37758	41304	40227	37617	41638	42260	24594	37521	89055	14623	19943	26973	81571	19634	27909	43203	73774	82854	63739	17735	22222	40959	32920	43150	17683	1663	27918	7991	33658	27875	31141	30812	49419	31932	137455	33705	48196	30026	82313	12034	19676	50794	2223	0	345	21882	27055	0	41301	34214	41898	33221	47569	820	85121	41224	35852	48737	27704	36589	43883	11866	66997	75598	39606	65560	35994	66898	4161	4442	5106	28533	27962	30596	20968	28965	241	24139	32338	10875	42693	15214	17975	4945	59507	50191	31188	58572	43307	69876	28503	33895	68261	13027	13764	494	32712	44443	82444	51172	57619	53407	29058	32670	19447	44408	84362	358	20559	92198	Peptide	0.5	1.5	0.16666667
12	C12 H18 O6 N2	287.12375	287.1242	0.18976633	287.1238	11760	11650	12028	11021	7084	8982	10352	15614	10400	6418	16407	7129	8689	5391	13148	19440	17140	16322	13340	4939	4859	13681	14072	13671	12627	1311	7909	64907	18551	11944	13419	15493	19012	17102	5083	15220	18585	14999	15928	3257	7841	11969	493	0	0	5368	3794	0	16006	10662	11661	19426	8685	336	17819	3857	8283	18731	8128	0	0	4064	5704	8456	5141	9948	10334	17969	0	2885	1742	11270	9536	12801	12076	11034	0	10549	11868	0	8406	4603	7320	1558	7002	8844	12279	12851	10666	33570	25345	29356	27915	4833	5198	602	17325	13110	4893	3750	5161	20878	12117	7486	0	19138	8123	0	13501	16495	Peptide	0.5	1.5	0.16666667
10	C12 H18 O6 N2	287.12375	287.1242	0.17465045	287.1238	22680	25103	30701	20388	23631	20885	15971	25286	24928	15678	14825	19172	27551	9451	26806	28282	30642	37758	35773	12359	15544	30871	24205	27806	19846	2207	21303	56676	27459	22450	21419	27603	39396	25702	16885	25700	41534	19052	35249	14773	13777	18386	905	0	438	13459	13419	0	28435	21398	24892	28522	22814	438	36504	13173	12918	36600	26873	18430	33714	10069	21483	25161	13496	23223	15826	34343	0	4410	5676	19170	26296	19401	22029	19203	0	18395	22834	18234	18570	10179	15502	3721	17108	16610	31347	20502	25272	48875	28371	36526	57659	14261	12973	0	24036	30574	11833	12407	13953	41739	18570	21582	0	34419	22384	0	13764	39127	Peptide	0.5	1.5	0.16666667
16	C12 H18 O6 N2	287.12375	287.12418	0.39622203	287.12387	2128	3305	4505	3970	2041	2687	1623	8100	1426	1716	3806	2137	0	2750	5942	7174	3102	0	0	0	0	2432	6010	5309	4474	0	1535	67550	8203	8229	11885	10690	8626	8337	0	7967	5802	4880	3245	0	0	3262	0	0	499	0	0	0	6710	6487	3701	4122	3134	416	0	0	1627	10685	0	0	10099	0	2039	2243	1942	1503	4853	4321	0	0	0	9926	9062	11253	3809	8042	0	4819	0	4760	0	0	1725	0	0	0	3747	3463	4637	0	13810	7205	0	0	0	0	4190	4392	1046	0	1234	6217	4370	0	0	0	1276	471	2865	4258	Peptide	0.5	1.5	0.16666667
14	C12 H18 O6 N2	287.12375	287.12418	0.26702416	287.12384	6923	6334	7450	9038	3561	5137	3927	9966	3241	3764	9393	4356	3354	3291	5287	7463	4786	10704	8005	0	2714	7559	5561	7915	7915	0	4652	75197	8961	9889	9714	10138	8733	9892	4590	8797	11212	6275	7959	1083	0	7382	0	0	0	1989	0	0	14380	8741	3530	5614	5934	412	5665	1227	3509	9996	0	0	0	0	4617	3325	4027	6667	5816	11041	0	1533	1219	10437	7970	11470	6085	8491	0	7080	5044	0	3361	1266	3363	0	3725	2537	6556	5916	8203	20621	24010	15182	11883	0	3020	0	6869	6446	1939	1932	2131	6536	5763	0	0	10530	0	0	7134	5687	Peptide	0.5	1.5	0.16666667
22	C17 H18 O4	287.12778	287.1281	0.11728926	287.1278	333124	360107	287360	318783	355968	312055	174453	299941	305238	549254	449915	180705	323729	320815	245624	300478	222401	486874	387671	669094	669049	409572	252594	354372	263796	569404	157211	465033	296105	243184	260603	290818	347743	301453	591115	277333	383805	208126	213032	444243	406621	273058	52048	46501	60236	290807	252226	74679	302205	237478	330349	341297	324831	45511	312027	281223	226134	324708	251441	192930	329481	313116	351123	289800	168716	406872	348387	206364	444551	652944	643250	289186	245186	235121	154186	277227	35204	210189	295646	295745	261221	212059	223419	319835	324440	247615	304660	310045	296864	293197	380454	394782	406001	324408	426175	51327	305708	346310	288664	294273	306347	351858	210642	347103	213520	289675	269181	49578	236995	391899	Phytochemical	0.23529412	1.0588236	0.0
18	C17 H18 O4	287.12778	287.12814	0.099586554	287.1278	806010	827094	723544	684673	642653	481929	480226	673980	510970	1133676	859655	427499	738391	460879	539243	796645	602230	804821	934600	1397301	1327108	854348	595646	806372	473138	1683840	454177	838916	661541	591591	580469	635994	831419	629008	1092092	590484	796480	471143	632090	1067428	1097647	520305	37320	15759	19687	550043	548752	22174	714113	560943	746231	793808	577647	19578	696995	524599	443477	799033	497831	526599	700150	680777	730341	546088	355403	721366	622330	644553	1431298	1739362	2099805	584173	499631	515817	565170	693670	16694	418711	698488	646759	597934	476845	485708	750271	598943	474523	658878	610156	599304	736893	783469	803092	860740	612975	881212	29919	771139	704318	557368	561438	586633	790550	438673	723855	334884	592919	440615	18880	518889	661542	Phytochemical	0.23529412	1.0588236	0.0
22	C14 H22 O4 S1	287.13116	287.1315	0.052523233	287.13116	2541	1873	1942	3627	2605	7977	0	0	2254	4579	2744	1849	1884	0	0	5215	2640	7110	3767	4997	0	5171	0	4039	3715	0	1539	4021	1798	1772	2423	0	0	1935	2681	3227	2433	1540	1788	1776	0	1983	0	0	0	6728	4520	0	2576	0	2682	2301	2417	0	0	1932	1382	4864	5576	2700	2276	1341	0	1582	0	5170	4555	2465	0	0	0	2290	1599	0	2009	2454	0	1695	0	4909	0	2143	3602	0	1920	2009	0	2393	2402	3178	29874	26238	4521	4206	8593	0	1512	2461	2297	1320	0	2701	0	4789	5739	3045	1899	0	1161	0	Organosulfur	0.2857143	1.5714285	0.0
10	C16 H18 O3 N2	287.139	287.13943	0.033036944	287.13904	64264	56764	53313	54103	21924	21307	54610	64712	27283	76310	53251	48530	13178	20933	38936	82716	97470	30927	42200	74908	85272	73816	39115	86010	54438	77986	67933	52789	51098	50095	55574	63094	106856	57183	64550	49836	111695	42631	106036	61366	85592	36147	654	0	0	44189	62565	0	77981	46153	58385	55265	25783	392	19866	10216	16812	89277	16435	53754	69344	31969	16037	15498	18947	21491	41025	131251	58191	78022	98246	48588	36623	30563	66950	44805	0	32817	66494	51430	52785	26600	26856	43356	16640	23349	53844	43784	36381	153646	61829	35774	126250	50200	94998	600	58260	56617	13510	12768	12428	79640	34582	51766	15148	79084	15902	0	76141	18724	Phytochemical	0.1875	1.125	0.125
14	C16 H18 O3 N2	287.139	287.1394	0.06304371	287.13904	63535	63367	61424	64089	33610	32100	91449	83510	17024	36655	34891	61688	27245	22460	57328	95133	175705	27774	32900	43491	50409	47324	51252	104553	65155	53188	51243	28933	89205	64444	83358	82543	170436	98115	38796	73895	141172	63764	210304	44069	69530	55787	0	445	245	32171	32913	475	123257	52775	54344	57369	42228	364	17550	16760	25851	109154	7925	31328	84637	27750	17755	11980	22466	30725	48656	210120	27512	50103	79200	84103	66600	35736	104509	63273	0	54313	67906	32310	77551	23664	22060	33493	22546	21508	80294	62522	48916	225932	58428	38378	157269	38107	47305	611	64839	62463	16466	24560	34369	132994	57930	33777	0	123940	15007	0	80547	25971	Phytochemical	0.1875	1.125	0.125
18	C16 H18 O3 N2	287.139	287.1394	0.12420686	287.13907	15891	14877	15754	14173	5571	8789	15939	10731	5118	11908	21070	9788	5556	6217	9110	19493	25420	6853	10092	18687	14209	17548	13137	19827	14786	18473	17985	18597	13806	13025	9591	11094	20191	11947	12763	12417	23533	10119	24325	18877	25399	7590	660	0	0	9482	12046	0	18837	9893	15239	13905	10165	455	3717	4173	4954	22940	4059	11435	17821	10455	4746	3918	5251	10929	9595	34078	24822	15297	32823	11377	10785	7046	17923	12043	0	7477	19155	21883	13719	7996	6908	14530	4572	7320	21866	12694	11878	40492	21373	18033	25745	14338	13529	0	13945	13715	3574	6628	7867	19106	6881	10101	4413	20451	4277	0	21882	5468	Phytochemical	0.1875	1.125	0.125
20	C16 H18 O3 N2	287.139	287.13937	0.12843874	287.13907	6757	8510	3990	7247	2374	2891	7267	9077	3214	7020	8248	7700	0	2025	6902	12349	14597	3034	6510	2852	7293	11053	5608	13947	5959	5138	10280	12490	10439	6204	10642	10441	9621	6639	4085	5527	11230	7823	16215	9065	12925	6688	0	0	0	4505	5607	544	12698	7288	5622	5833	2835	439	1800	0	3591	8518	3997	7998	11451	5333	2134	2179	2730	3370	3191	20313	10000	5346	20007	7040	5163	3534	6256	5372	0	6132	11466	12238	6556	2856	4269	0	1260	3093	9070	8162	5607	24868	8555	9174	21967	10682	10097	0	5595	6234	2455	1952	5434	12439	8405	7705	2208	11299	3634	0	15137	2787	Phytochemical	0.1875	1.125	0.125
6	C16 H18 O3 N2	287.139	287.1395	0.04732623	287.13904	40667	45829	42585	45301	24492	19061	35762	40667	18501	96919	59984	22371	17462	16781	31339	53396	39519	26240	30557	99205	111612	48277	30337	61429	33293	102564	27008	71790	35383	32644	40274	36956	63345	36888	94105	30598	61759	28522	46215	57351	60805	18057	738	0	0	43834	59261	0	49651	36874	43193	38945	29760	259	19120	9868	14182	44426	4949	20036	49971	35024	16023	11909	13714	19746	24463	51540	61552	128048	149558	36357	32777	26735	28336	29254	0	21434	30881	66772	29798	15917	11398	56931	10545	14259	34609	30144	24332	70157	56060	28818	71593	54819	95595	0	37900	42423	12861	7445	9499	60538	23364	40640	17240	44429	11589	0	30008	20170	Phytochemical	0.1875	1.125	0.125
12	C16 H18 O3 N2	287.139	287.13943	0.035227615	287.13904	39251	45728	48573	46338	26647	23623	36731	59184	15225	47938	35964	32544	13653	15319	26241	66664	72602	19378	27627	66119	61783	51687	36402	61687	43737	54249	36805	31393	51365	35667	50894	47100	76869	71071	50900	44522	69096	30257	95547	55541	80151	27706	646	0	0	41519	40345	0	62334	45427	46971	39257	28719	441	18533	9708	17819	68504	13572	31776	53095	26789	16075	13921	12831	23274	31594	112416	31730	67635	91468	61200	69201	31820	51189	46488	0	38343	45721	32564	41107	20138	21993	32925	13543	12798	52125	41036	33680	174956	37316	32571	104754	35514	45037	0	41344	52739	14930	15333	15564	60605	35012	23724	0	70221	17519	385	41391	21735	Phytochemical	0.1875	1.125	0.125
22	C16 H18 O3 N2	287.139	287.13937	0.19447823	287.13907	6778	5209	2825	6320	3452	1179	7164	3170	1543	1671	3046	5982	0	0	4157	13445	17615	2784	1722	0	0	8019	5669	15668	5993	0	6173	2488	4068	4935	3443	4526	7828	4109	4110	5034	10334	6694	13364	2047	6659	1881	0	0	388	1696	2819	0	7373	7214	5704	5646	2816	299	0	0	2164	9045	2862	2092	8492	2030	0	0	1776	1855	1795	18048	3017	0	4621	3153	2003	1801	4198	3581	0	3719	4342	4433	6610	0	2742	1900	0	2126	9459	10293	4165	55084	4269	5285	27532	2011	3921	0	5848	4042	2551	0	2016	9449	4930	2294	1494	11572	1532	0	10209	0	Phytochemical	0.1875	1.125	0.125
16	C16 H18 O3 N2	287.139	287.1394	0.086465865	287.13904	19959	20835	26890	20705	17582	12160	28028	17710	11325	24637	23102	15687	8059	11006	16470	32285	41578	16367	18129	25511	34555	32448	19247	30119	20990	33829	28836	20846	19004	19246	22037	24612	31309	23838	25742	22628	30877	15832	41143	32822	47438	14745	518	390	301	16527	18730	389	29356	18868	24130	20057	15680	377	8789	7444	12358	30204	8248	16519	30214	15427	11346	8391	8720	18771	14929	43771	39834	39023	54937	20089	18249	14221	24430	21357	0	14592	27620	34882	15989	14805	14908	22864	9854	9117	29108	20030	15624	56519	24926	28818	0	20386	33496	540	24701	25621	8021	9472	8948	30544	15375	13687	8395	29701	11028	0	27085	12903	Phytochemical	0.1875	1.125	0.125
4	C16 H18 O3 N2	287.139	287.13956	0.08642627	287.13904	27399	30452	29221	31102	10674	16624	17949	36403	8835	68516	39639	20129	10386	11759	22511	36670	38848	17685	23700	67859	78778	37746	23678	40247	21629	83837	19797	42755	26278	24344	27550	28202	40295	26189	70254	31566	39505	21185	46961	44885	50172	20293	0	0	0	34207	45973	0	37395	32806	30512	23778	17545	241	12512	6793	9912	28061	4896	22079	36099	28343	11498	10818	7903	13532	16004	42803	47465	79183	95272	25784	22430	28074	35460	22666	0	21117	27179	44598	25278	12900	10931	32895	8356	8779	24900	21376	18969	43657	41025	23052	47955	41967	67194	476	27169	30916	9191	7903	6959	38697	19903	37428	20475	27724	7440	0	20820	10808	Phytochemical	0.1875	1.125	0.125
16	C19 H19 O1 Na1	287.14062	287.1411	0.5105265	287.14078	0	4080	3263	4780	0	0	0	3816	0	0	0	0	0	0	0	19325	0	0	0	0	0	35052	1494	8758	4508	0	1467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1519	0	0	0	0	5035	3629	0	0	0	1566	0	18338	0	0	15494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2920	0	0	0	2393	0	0	0	0	0	0	267671	0	5431	114008	0	0	0	3346	3979	0	0	0	0	0	0	0	21757	0	0	5826	0	Phytochemical	0.05263158	1.0	0.0
18	C19 H19 O1 Na1	287.14062	287.1412	0.9092221	287.1409	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1980	0	0	0	0	0	1917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1225	0	0	0	0	0	0	0	1561	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21955	0	0	16488	0	0	0	0	0	0	0	0	0	0	0	0	2461	0	0	0	0	Phytochemical	0.05263158	1.0	0.0
14	C14 H22 O6	287.14893	287.1493	0.05864844	287.14893	66970	58310	55782	68404	74674	71798	85571	78291	67580	33889	24965	41418	90566	105511	59485	74275	64792	104090	114536	41656	35954	53313	48801	54678	72372	18313	74876	42447	128818	90527	73410	94799	110630	90860	36434	108033	104456	55928	73530	16260	13597	70560	7702	3266	2063	33471	20251	3389	83829	62669	57739	56654	68153	3432	99070	81655	49171	97385	50442	26362	76321	15932	90870	67217	119004	108519	106389	63138	0	16545	11979	68964	87846	111687	60761	80682	2250	58405	50044	38190	30510	35683	89417	54056	77257	65596	65671	54528	74505	46641	72393	73768	66903	20555	30533	4267	59890	73617	63606	84739	96806	105963	50940	62140	21745	70252	65727	3151	45422	73415	Lipid	0.42857143	1.5714285	0.0
8	C14 H22 O6	287.14893	287.14932	-0.005593047	287.14893	107536	105836	80608	115372	88140	79096	124660	64914	38282	19870	16280	73384	50028	53658	87300	156272	129304	101468	120448	76340	32650	41448	91016	117644	37798	21606	110104	20420	62346	139436	97772	146436	120332	90788	38174	137483	75034	76632	79702	16370	25178	84200	7746	954	1124	44520	31522	1176	131108	135492	107328	101948	73852	1668	126424	42914	45756	125124	79668	38782	89748	11922	84732	80936	38018	98984	45446	71404	9204	16690	18982	107940	112395	139408	55909	124760	730	35716	51552	25288	64676	38884	319572	107504	47842	32604	51624	57236	68544	135348	45068	43838	154240	18614	29930	3356	110020	118880	33658	65594	74402	139492	77384	107072	22052	56864	39498	784	74644	95624	Lipid	0.42857143	1.5714285	0.0
26	C14 H22 O6	287.14893	287.14905	0.22521675	287.149	3636	2631	2583	3494	2474	2658	2810	0	3305	0	2894	3043	0	4094	0	0	0	4762	0	0	0	1897	0	0	0	0	2988	2331	0	0	4079	0	4081	3512	3712	0	1838	0	0	0	2254	0	0	0	0	0	0	0	3189	0	2565	2257	3007	0	0	0	2860	3917	0	0	0	0	2221	0	2277	3536	0	4304	0	1998	2967	0	20942	24222	0	2937	0	3758	2297	0	3649	0	4948	2312	0	0	3148	9180	2449	1564	3572	2204	0	0	0	0	0	0	3177	2582	0	0	2742	0	0	2679	0	0	3376	3015	Lipid	0.42857143	1.5714285	0.0
22	C14 H22 O6	287.14893	287.14926	0.18370126	287.14896	8460	5508	6634	4818	8978	6363	10508	7073	6327	3004	2047	2224	5029	11661	7448	5878	4107	11087	9076	2076	0	2274	4050	5477	6737	0	7034	64680	10640	5400	10391	6731	10821	8908	2806	11261	10642	7874	3639	1638	0	5034	0	0	2721	1970	0	0	8593	3834	5432	6771	5850	2381	11203	5790	4224	9059	4066	2155	6070	1389	8480	5788	4680	7984	9906	3283	0	2107	0	4217	11060	9954	3862	5623	2257	5433	3853	4331	4823	2259	10245	3491	4650	6635	5031	3276	7541	2719	16321	9814	7576	0	0	0	8001	6881	5716	3435	4064	12114	4661	2279	3888	4930	4593	2814	4364	6682	Lipid	0.42857143	1.5714285	0.0
18	C14 H22 O6	287.14893	287.14926	0.10827979	287.14896	61322	67884	61953	57841	102378	97546	87924	59122	90224	39673	22253	29948	148888	98322	59978	52404	30490	134608	140977	44248	33152	26381	46474	30432	57433	6424	56444	192592	126230	71643	72205	86862	114472	90169	27413	97540	121795	52216	36106	19689	10381	74649	9891	1993	2435	23220	15185	2100	84333	49472	60664	62422	98438	3974	149897	70568	53434	71544	42038	14245	60813	12617	94964	82222	53862	124249	105712	29257	4224	11965	5827	63018	73778	108977	47909	77046	2130	47158	33150	43838	19251	19908	81755	31904	61154	67883	38689	60099	86523	26323	83941	80969	38500	15989	22111	3087	63338	65921	61125	63829	78539	103804	36798	51358	21337	46867	78492	2332	31686	107927	Lipid	0.42857143	1.5714285	0.0
20	C14 H22 O6	287.14893	287.14926	0.11244741	287.14896	30872	23915	30501	20393	41579	47986	32212	30969	46469	11062	9706	18650	72197	57999	35914	25652	13228	62843	59316	12268	8961	11168	23551	18472	39367	0	28192	99582	62077	35673	46151	49669	60919	42847	15275	46784	64056	26341	16548	2998	3432	34753	7662	2950	2234	6333	1601	2954	46308	28854	30625	27305	45796	3675	76140	32655	28673	43357	18143	5553	32000	3836	39750	43730	30366	45629	51900	15192	0	4095	0	34384	38086	55952	18272	39092	2978	31344	13610	21699	14475	5996	31138	7248	24871	31204	18780	26822	36010	11342	48560	54329	24806	5339	9833	2658	30948	37261	29566	20216	30395	67915	23984	20080	14768	23121	35335	3656	17547	58468	Lipid	0.42857143	1.5714285	0.0
6	C14 H22 O6	287.14893	287.14932	0.030435462	287.14893	7714	20738	8630	18432	13196	8924	22362	32492	16136	5621	3850	14938	22214	3933	10692	28970	22288	16608	16982	14192	14584	21056	20580	26960	14860	2211	18636	5336	30388	34200	23324	24966	27868	21894	15578	35022	28430	9264	31722	3034	7732	6547	0	387	423	10262	7630	300	28008	24120	20364	10093	13602	508	11162	19964	10232	28860	19880	17948	26638	2047	16346	6969	8956	15682	15906	31508	2873	2174	0	21560	10180	36578	18870	24802	238	15700	8769	0	14802	13898	21860	4141	20580	5570	25044	8924	13130	29818	6950	20208	13862	10102	6046	442	10696	10291	11428	33592	33616	35928	16526	24084	0	22594	21154	315	14356	17220	Lipid	0.42857143	1.5714285	0.0
12	C13 H22 O5 N2	287.16016	287.16058	0.12267015	287.1602	13640	20998	19289	17301	7141	5091	15115	14488	4812	3318	2800	7330	5944	3790	18014	59469	11698	17441	12166	5634	1894	29241	18624	37471	43506	0	12265	0	27975	14838	12663	23533	23478	20387	4701	16929	22087	13397	12336	1584	5406	7765	335	0	0	8833	0	0	26320	10117	17133	13703	8609	0	6686	2623	6049	39242	0	0	26892	3851	5244	4559	8372	9770	7411	12674	0	2140	2479	11433	11723	13123	13635	15869	0	11133	19447	0	11817	6016	6552	1110	4001	27862	21047	69131	54572	49606	31666	27174	68882	8015	6045	0	17183	19928	3225	2596	3232	19177	9869	6690	0	24585	6403	0	18854	8645	Peptide	0.3846154	1.6923077	0.15384616
6	C13 H22 O5 N2	287.16016	287.1606	0.067261696	287.16016	62587	65657	55370	59517	30680	26137	28880	52643	27582	16475	12586	24398	40334	12047	40668	64538	43132	48370	41543	20448	16958	46392	33700	63519	31529	1807	29161	27235	43005	36009	42284	49304	62178	45698	27764	44845	56745	31696	54195	10971	15912	20085	0	0	0	25331	23825	0	56785	35612	64426	63259	28325	0	38301	14222	14581	68118	21216	22634	60174	8677	39051	21751	12479	37952	31644	58640	3156	7009	4845	37522	35403	38129	24230	33121	0	24755	26743	23735	23290	14566	22070	8337	23612	26703	42841	28411	29961	67088	1470958	1130019	87697	19202	27882	0	63650	58266	13835	15049	18254	53170	28199	29015	9294	58711	27376	0	29293	52888	Peptide	0.3846154	1.6923077	0.15384616
14	C13 H22 O5 N2	287.16016	287.1605	0.14732215	287.1602	4296	7624	4284	6171	3693	2040	0	4625	2511	0	0	2248	2391	2430	2882	7168	5804	3088	3014	0	0	5708	2098	3717	4132	0	1722	0	6430	5084	2908	0	4407	4804	2467	6373	6209	3170	4684	2585	0	1367	0	0	0	2798	0	0	6777	2904	3507	3503	2396	0	0	2453	2451	6718	0	0	0	0	0	1380	1606	3281	2641	6665	0	0	0	5045	3457	3734	5801	3950	226	2376	3137	0	3050	1754	1577	1322	0	0	4622	3875	0	7205	34867	18025	14148	0	2146	0	3804	5273	1004	2140	1116	3663	4159	2188	0	7023	2492	0	3915	0	Peptide	0.3846154	1.6923077	0.15384616
10	C13 H22 O5 N2	287.16016	287.16058	0.11850591	287.1602	25317	27328	31464	21011	13683	15623	19555	28699	10908	10693	7381	12972	18503	8545	16015	48692	19077	25213	22521	14066	9999	31300	21027	45897	25202	0	21509	18964	30037	22178	25955	32806	39213	23984	14086	23818	37768	16201	25439	5289	5024	15191	0	0	0	17975	10904	0	29667	19631	26431	29325	17065	407	13834	5156	6829	56356	13494	11767	49111	3378	14734	11301	8963	19945	15057	27712	0	2074	3517	25609	25888	16725	20443	16560	0	14654	23411	33198	14363	11560	11434	1518	8293	10570	26845	16366	16660	45109	335691	138001	61910	12178	18787	0	28672	28566	6250	8756	9821	34382	15544	19797	0	37344	10558	0	20948	17958	Peptide	0.3846154	1.6923077	0.15384616
4	C13 H22 O5 N2	287.16016	287.16068	0.08294351	287.1602	35878	43316	39394	40263	36294	24738	21451	30987	44493	14193	13151	20609	61902	18633	27985	35040	40129	57667	52979	16627	13631	45255	26870	36614	23531	789	20692	18333	27569	20190	24731	24811	39781	27609	20262	27928	39091	27434	54364	11907	19181	23621	736	0	0	18707	22676	0	31238	25465	39469	32497	33609	0	50334	28433	18959	43597	29243	29940	37387	9230	57300	32470	13557	47612	23427	45047	3697	5955	5464	25203	22471	22993	17928	20018	0	21041	32472	44677	27228	18698	28463	13270	50097	27833	35105	29116	27809	60924	332909	208923	76304	21838	16902	0	36108	40971	34109	39439	39661	35399	22156	26400	13341	36524	43766	0	26901	73304	Peptide	0.3846154	1.6923077	0.15384616
2	C13 H22 O5 N2	287.16016	287.16068	0.06421981	287.16016	63147	69077	59148	62392	73118	98532	23859	60584	67566	25848	16060	30761	105429	36151	40053	104830	44634	116210	114786	33284	28134	71608	41254	109108	58913	1152	41133	21244	68326	61518	64167	72399	94471	60017	40848	66826	95766	30900	53750	22312	15181	48805	559	0	0	29076	14316	0	115511	47018	60736	58866	67612	0	86945	32289	23018	109887	22551	16847	108010	9417	109536	67344	23891	90258	68366	63281	2401	11021	6057	59342	62132	63974	33843	46018	0	28989	37005	29147	21668	12851	13921	4622	47202	34612	47892	52501	70509	102496	79169	94642	137755	15012	18770	555	66672	57819	30365	42726	43889	120386	28029	46886	12438	86937	46403	0	29800	161550	Peptide	0.3846154	1.6923077	0.15384616
26	C18 H22 O3	287.16418	287.16455	0.1513485	287.1642	164905	154757	143002	145097	199644	110808	91567	158479	138995	142690	165147	101572	175598	211389	133373	173651	138681	170899	243066	227652	213487	157161	116755	158399	143407	185155	97070	196931	174199	176879	152237	163259	212923	146099	196061	195777	218982	115328	165940	164804	140119	155996	18530	14799	19737	111402	82415	16750	180950	139212	158076	149210	174102	12222	163049	175499	116217	209757	115734	92689	182160	100249	149314	112927	87471	174914	187792	171671	162352	164613	165937	125766	143334	173379	117078	184775	12827	112026	133651	133676	111752	94476	122639	126649	171905	115565	173795	130261	136150	173330	167624	142701	208948	125778	139286	16431	157900	171529	129464	178474	192753	232728	103077	159876	91936	138647	127854	12683	126065	135891	Phytochemical	0.16666667	1.2222222	0.0
22	C15 H26 O3 S1	287.16754	287.16782	-0.18766049	287.16748	2240	2431	3160	1745	9552	4890	0	0	3351	0	3347	0	4586	0	0	0	2114	3894	5566	0	3727	0	0	2024	1553	0	0	5231	0	1626	0	0	0	0	0	0	3872	0	3741	1570	1955	2672	0	0	0	0	1694	0	0	0	0	1423	5823	0	0	0	3859	5190	1710	0	1379	0	2194	0	3230	28456	38477	2304	0	0	0	0	0	0	1465	0	0	0	0	4403	0	3926	1451	0	2936	6536	3803	2584	4200	5720	26892	11178	3574	1829	0	0	3111	0	7129	1414	0	1984	1309	0	1872	0	3986	0	1493	0	Organosulfur	0.2	1.7333333	0.0
24	C15 H26 O3 S1	287.16754	287.16754	-0.39659196	287.16742	0	0	0	1630	1026	896	0	0	0	0	0	0	0	0	0	0	0	2350	0	0	0	0	0	0	0	0	0	3808	0	0	0	0	0	0	0	0	0	0	0	941	0	0	0	0	0	0	1367	0	0	0	1196	0	0	0	0	0	0	1387	0	953	0	0	0	0	0	4937	7872	0	0	0	0	0	0	0	0	0	0	0	0	1700	0	1838	0	0	0	0	0	1092	898	0	34315	23689	0	1143	1392	0	1036	0	1905	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2	1.7333333	0.0
4	C12 H22 O4 N4	287.1714	287.1718	-0.08323615	287.17136	1737	1845	2088	1704	268	6635	0	479	479	0	3523	0	516	0	667	1653	1446	247	554	0	0	1187	567	942	1494	0	730	36989	1248	0	914	925	1049	761	0	852	949	938	1057	0	0	915	0	0	0	0	0	0	0	1357	1536	1642	473	0	376	0	0	1519	0	0	1318	0	872	0	0	0	0	0	0	0	0	733	935	807	0	352	0	463	655	91797	538	0	0	0	325	518	1317	936	439	1761	69731	7595	1523	8480	2274	0	2471	1553	530	481	0	564	807	0	0	576	333	0	656	317	Peptide	0.33333334	1.8333334	0.33333334
2	C12 H22 O4 N4	287.1714	287.17188	-0.05830155	287.17136	7282	5903	6758	6490	2252	19989	6106	17236	1642	1360	3905	5684	1353	2013	8566	6831	6044	2286	3399	1083	1388	4848	6948	12881	4695	0	1550	57806	12015	7346	14190	9218	17764	8639	2549	7881	9146	6837	8728	834	938	0	0	0	0	3003	768	0	8773	8683	7575	5053	1947	0	1866	743	2344	7343	609	680	6718	415	2235	1479	0	2891	3348	8287	0	940	0	9579	7595	8774	6227	6604	0	4679	3165	208954	5630	0	923	559	1257	2445	5171	3781	3222	18983	33266	9794	14145	10008	817	0	5945	6307	1300	804	1341	9551	7223	2028	375	11717	2815	0	4945	2628	Peptide	0.33333334	1.8333334	0.33333334
0	C12 H22 O4 N4	287.1714	287.1719	-0.062041923	287.17136	3906	3372	3262	5182	2601	0	2725	4711	2947	1343	3022	3860	2491	0	2468	0	7113	19098	4470	1828	2838	3425	4357	5781	4404	0	0	21167	5512	2447	4827	5528	9949	4672	2038	6424	6100	4128	7469	1286	0	6979	0	0	0	2280	0	0	6793	3274	5170	3491	3087	0	1978	1268	1790	6986	1684	1117	3477	0	0	1888	4056	3829	6278	7138	0	0	0	3617	6730	6044	0	5725	0	3956	4455	63584	4360	569	0	0	2636	2525	4984	3043	3321	9310	25332	14725	10723	3169	0	0	2950	5179	1391	1107	1378	3269	3948	2507	0	8025	2464	0	3604	5055	Peptide	0.33333334	1.8333334	0.33333334
8	C12 H22 O4 N4	287.1714	287.1718	-0.01396065	287.1714	0	0	0	0	0	1567	0	0	0	0	1731	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5625	0	0	0	0	0	0	0	0	0	0	0	0	0	630	0	0	0	0	0	0	0	0	790	1253	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4309	0	0	0	0	0	0	0	0	0	0	26188	0	0	3205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8333334	0.33333334
6	C12 H22 O4 N4	287.1714	287.1718	0.05337857	287.1714	4733	3452	2280	2867	701	5514	721	855	0	1464	5830	629	641	782	0	0	903	0	0	0	0	0	535	940	0	0	0	41714	1313	849	1428	1974	1302	1329	850	938	1170	0	1164	0	0	1058	0	0	0	0	0	0	0	0	2953	2568	438	0	0	0	0	2534	0	0	1263	0	0	0	604	0	610	1053	0	0	0	1062	918	0	1340	0	0	849	1035	53232	0	0	0	0	0	0	0	0	0	1856	105327	7904	2722	13627	3208	0	3447	2734	379	0	466	940	958	0	0	758	0	0	699	888	Peptide	0.33333334	1.8333334	0.33333334
6	C17 H22 O2 N2	287.1754	287.17587	0.06173314	287.1754	6144	6849	8598	7486	899	2622	4818	10168	577	8919	5475	4996	676	2081	3618	13432	8580	1465	2967	10719	14309	5521	4690	16889	5469	6738	5244	6085	6802	5684	9513	8529	11058	10018	10068	9405	8997	4918	10756	4223	2807	3002	0	0	0	5109	5006	0	13790	8783	8163	6263	2364	0	1006	0	991	13708	0	823	14255	2638	931	1564	1589	677	3274	12666	3340	6971	6558	6340	7986	7063	10310	8161	0	5413	5181	8195	7041	508	0	6319	0	885	5042	4853	4558	24291	13407	0	21569	4960	11945	0	6632	5963	428	0	0	12407	4241	3476	0	12477	0	0	5466	0	Phytochemical	0.11764706	1.2941177	0.11764706
16	C17 H22 O2 N2	287.1754	287.17572	0.08494888	287.1754	2723	3207	5053	3175	0	0	5924	1687	0	4970	7130	4182	0	1399	1780	5130	11815	0	0	9922	9683	1914	1616	2187	0	24625	8931	6014	3292	7081	3789	5021	11167	5137	3581	3795	6828	3426	9877	7618	16131	3390	0	0	0	2179	3770	0	8607	3885	2665	5278	1936	0	0	0	1267	2767	0	4808	0	4441	0	0	1866	0	2077	19634	12894	17086	25595	3485	7996	1527	8240	6397	0	1535	1868	5701	1486	2356	0	9347	0	0	1741	3202	2059	0	0	1826	0	3279	4661	0	3349	3408	0	0	0	14297	3190	0	0	0	0	0	2008	0	Phytochemical	0.11764706	1.2941177	0.11764706
4	C17 H22 O2 N2	287.1754	287.1759	0.061149053	287.1754	7554	6099	6754	5945	537	1638	5042	11978	458	6504	4165	5597	408	1463	6485	15373	10478	2009	2687	8311	8525	6056	6284	12825	6833	4777	5556	5193	9360	8289	8852	9165	9877	8965	7691	8982	8691	5881	13772	6442	3612	3099	0	0	0	5362	4712	0	11565	10880	5940	5709	1947	0	774	260	1518	9020	0	509	10977	3230	630	658	1599	996	2677	14888	2965	3496	4352	8835	8280	9389	14298	6814	0	5569	7808	10364	6173	500	883	5657	0	726	6983	4018	3246	28685	9063	1350	23507	4732	11087	0	7030	6726	1208	0	0	9435	6122	6611	0	9237	368	0	6526	544	Phytochemical	0.11764706	1.2941177	0.11764706
2	C17 H22 O2 N2	287.1754	287.17593	0.009890746	287.1754	14468	11877	12287	11522	585	0	10720	26501	385	9005	6878	11861	0	411	11019	23024	21767	1581	2590	14194	15067	10978	11329	25334	10669	4035	12080	10461	19964	19622	16284	24224	19362	19281	11360	24828	18709	9754	22638	13765	10122	4328	0	0	0	5764	8011	0	24853	19895	14234	11797	1725	0	781	357	2310	20347	381	972	19971	6206	0	755	0	1479	4421	27344	3076	4231	4501	20695	21123	25250	25773	21276	0	12142	12320	15307	11263	1342	3457	9798	286	1331	9603	5202	6076	51534	14675	4487	57911	8671	15024	0	13492	12956	676	0	0	18184	8844	15967	3875	19853	289	0	14110	0	Phytochemical	0.11764706	1.2941177	0.11764706
8	C17 H22 O2 N2	287.1754	287.1758	0.005785521	287.1754	8558	8814	5761	7671	1224	1347	9260	10780	0	11883	9135	7454	0	1525	5698	17197	9598	1295	2182	13659	11614	3051	5900	17391	59970	10021	8765	9225	7285	6903	7391	8904	9520	9267	10153	8416	11518	4619	9236	7652	3180	4612	0	0	0	7874	7877	0	12371	7335	9679	9885	3128	0	0	0	2186	13929	0	0	9557	3130	0	690	5529	0	3500	10642	5590	12420	11912	9605	6324	8352	8437	9144	0	7555	15914	34572	5036	875	0	8534	0	3828	43003	3797	3919	49193	22573	0	42529	9052	12612	0	8822	9460	21097	0	0	11899	7170	5067	0	29736	0	0	81309	0	Phytochemical	0.11764706	1.2941177	0.11764706
22	C17 H22 O2 N2	287.1754	287.17578	0.1194366	287.17545	0	1770	1678	0	6345	2945	1114	0	0	0	0	0	0	25771	0	0	0	0	0	0	0	0	0	0	0	2457	1037	0	0	1395	1353	0	0	0	0	0	0	0	0	0	0	8709	0	0	0	0	0	0	0	0	0	0	4969	0	2334	0	2239	0	0	1067	0	1034	1705	3347	0	4863	11600	0	1572	0	0	0	0	0	5470	1855	0	0	0	0	0	0	0	0	2297	1331	0	1202	0	0	0	0	0	0	0	0	1573	1412	0	1480	1583	1791	0	0	0	0	1644	0	0	4332	Phytochemical	0.11764706	1.2941177	0.11764706
12	C17 H22 O2 N2	287.1754	287.17578	0.019590711	287.1754	2956	6397	5391	3516	1053	2593	0	10286	0	7503	9848	2615	0	1102	3046	8582	5096	0	2107	21287	20477	0	2960	12312	13739	18162	3361	10854	15849	9308	9443	11766	13601	15257	7474	13396	20020	2854	3822	5693	0	4198	0	0	0	3491	4581	0	12440	11827	3379	5184	2277	0	0	0	1947	6242	0	0	0	1674	0	0	0	0	2078	6599	0	15562	18398	7264	9369	9680	6254	8100	0	3499	2321	0	2076	0	843	4846	0	0	1864	4525	3367	10117	3374	0	14288	0	7612	0	2334	5620	0	0	0	14863	2870	0	0	15540	0	0	3445	0	Phytochemical	0.11764706	1.2941177	0.11764706
10	C17 H22 O2 N2	287.1754	287.1758	0.04184954	287.1754	9614	10110	9303	9491	1466	3288	4401	14202	1623	10044	8838	5700	0	2377	5178	15063	7784	1100	1637	14890	14363	9280	5406	18360	15831	14016	8291	16501	11755	10985	11833	11106	11058	11324	9209	13437	9654	4556	8554	8819	2212	3913	0	0	0	7138	8887	0	16164	11897	10271	9236	3045	0	0	0	2166	17318	0	0	16591	2194	0	985	2309	1037	3824	13017	7542	19487	15342	13807	8834	9780	8110	11609	0	6621	6854	7517	5400	890	0	5919	1384	0	10825	5102	3832	80951	16521	0	29407	7749	14465	0	7397	3818	0	850	0	9984	6274	4241	0	16924	0	0	20225	1357	Phytochemical	0.11764706	1.2941177	0.11764706
16	C15 H26 O5	287.1853	287.1856	0.019243134	287.1853	0	2502	0	2631	1562	2725	20367	2308	0	0	0	1057	2610	7597	1952	3599	5479	0	0	0	0	1851	0	2652	2377	5412	12912	0	5316	4447	2304	5201	3386	2910	0	2699	1785	1991	1971	0	0	2123	2771	0	0	0	0	0	2104	3252	2642	2400	0	277	0	1348	0	4860	0	0	0	0	0	0	6013	4538	4468	5736	0	0	1842	0	3223	4564	4486	2303	0	0	0	0	1064	0	45742	35922	1345	1494	4390	0	1390	0	5207	2528	0	0	0	0	1778	2747	1326	3840	7122	2214	0	0	0	0	2421	0	1593	0	Lipid	0.33333334	1.7333333	0.0
18	C15 H26 O5	287.1853	287.18564	0.092082225	287.18533	5082	5103	5806	7130	4870	3695	61055	3607	0	0	2642	3118	0	23168	2643	15490	5596	6254	0	0	0	0	3325	5343	4776	15725	51234	10875	9723	4245	3295	12193	3573	0	0	5288	2306	3190	8298	3226	1661	4440	14896	0	425	0	0	696	11826	3264	7251	5827	2444	1275	0	0	1488	5459	0	1076	6673	0	5901	0	15898	6635	10695	6296	1280	0	0	3837	5996	8768	4921	4503	463	2948	1754	21817	3917	1364	134336	106100	1378	3491	5310	4063	4992	7421	24676	9046	4840	3249	0	1426	4303	5691	1673	3746	4898	5293	2614	3279	1483	4638	1312	0	2554	2891	Lipid	0.33333334	1.7333333	0.0
24	C15 H26 O5	287.1853	287.18558	0.09651104	287.18533	2046	3267	2248	5003	3813	888	15771	0	0	1733	3443	4159	1916	2403	8715	3099	0	1648	0	2317	0	0	2195	0	3603	0	16317	18115	4153	5243	2616	3838	4513	3663	0	4280	6657	5321	1283	0	0	0	3309	0	0	0	1388	0	4702	3091	2800	2587	3308	0	3236	0	0	4653	2587	0	3514	913	5621	1154	4854	2776	6004	0	0	0	0	2419	2546	3880	3476	1903	0	4735	0	25916	1011	1565	5817	2346	1411	0	3172	1793	1241	0	28507	25466	0	4584	0	0	2122	4239	0	0	0	5616	6378	1591	8847	0	1742	0	4538	1521	Lipid	0.33333334	1.7333333	0.0
14	C15 H26 O5	287.1853	287.18558	0.032485977	287.1853	1580	1473	0	2757	2565	0	9436	0	0	0	0	1614	0	6133	0	0	2038	0	0	0	0	0	0	0	1517	1779	7871	0	3076	1366	0	0	1824	1560	0	3067	0	1867	3878	0	0	0	0	0	0	0	0	0	2426	0	2742	1726	0	0	0	1807	1100	0	0	0	0	0	0	0	3703	1266	2785	0	0	0	0	3291	2126	2833	2766	1551	0	0	0	0	0	0	21825	18625	0	0	4345	0	1595	5318	3097	2106	0	0	0	0	1846	0	1012	4078	4844	0	0	0	0	1961	1147	0	0	0	Lipid	0.33333334	1.7333333	0.0
14	C14 H26 O4 N2	287.19653	287.19675	0.06758394	287.19656	0	0	0	0	0	0	0	1330	0	0	0	0	0	0	0	3349	0	0	0	0	0	0	1216	0	1643	0	0	0	0	0	0	0	1818	1690	0	0	1952	1187	0	0	0	0	0	0	0	0	0	0	0	0	1404	0	0	0	0	0	610	3702	0	0	0	0	2696	0	3479	0	1023	0	0	0	0	0	0	0	0	1090	0	0	0	35859	0	0	0	0	0	11951	0	0	0	0	3071	3131	0	0	0	0	0	0	0	0	1848	0	0	0	0	0	0	0	1501	0	Peptide	0.2857143	1.8571428	0.14285715
2	C14 H26 O4 N2	287.19653	287.19708	0.058171462	287.19656	10863	8562	10484	11070	5732	0	8020	15019	3416	3052	1466	5460	6978	3348	8597	35623	10719	7312	6599	4526	3220	23572	8604	35995	23989	337	5171	3221	13751	7954	12859	10439	11798	9277	4411	10696	12044	6762	11338	2713	1754	4188	0	0	0	9840	3460	0	13708	8927	8949	9448	5710	0	4994	2057	2786	28369	1383	957	33372	678	4662	3504	0	6842	7578	13319	0	2286	1270	7257	7059	6057	10677	7369	0	5668	19457	5785	5981	2254	1534	683	1955	3113	70561	4940	5694	33061	21553	17114	40632	2661	48839	0	9554	11010	3289	1966	2201	12163	4628	8672	2191	17642	2702	0	12817	7532	Peptide	0.2857143	1.8571428	0.14285715
10	C14 H26 O4 N2	287.19653	287.19687	0.04465532	287.19653	0	2772	1527	2119	2117	1680	0	1700	0	1742	0	0	3601	1994	1109	6219	5117	1478	1282	0	0	0	953	5166	1318	0	1047	0	1796	2819	1636	2083	3179	1876	0	1325	2189	1127	4669	0	0	1025	0	0	0	0	0	0	5858	1461	2210	0	1406	0	0	2292	1537	7190	0	0	0	0	0	0	3760	3866	0	8542	0	0	0	948	0	1541	0	1623	0	803	0	0	0	0	0	0	2915	23666	1056	1804	1470	3724	4579	1772	6685	0	0	0	1404	2640	0	1641	8756	0	0	0	0	2778	6585	0	1298	0	Peptide	0.2857143	1.8571428	0.14285715
4	C14 H26 O4 N2	287.19653	287.19705	0.14125979	287.19656	7380	6363	7509	6757	4193	4717	5661	8388	2257	2288	0	4566	6142	3860	5610	13946	5124	5038	5659	2529	2574	9600	5317	18933	8022	0	7404	0	11194	6088	9045	10347	8650	7597	3887	8083	7455	4578	6514	1321	1131	4921	0	0	0	5468	1737	0	11842	6384	7779	6684	6111	0	4028	1200	2267	19774	938	476	14675	0	4604	2585	1260	6910	4607	8536	0	1514	0	8320	7286	4965	7044	7345	0	6683	8786	3789	4063	949	1577	0	4223	3341	18870	4275	5556	17486	15977	12292	22902	1258	2107	0	9258	8480	1739	1301	2701	6269	5501	6026	0	13033	3262	0	8281	4666	Peptide	0.2857143	1.8571428	0.14285715
26	C19 H26 O2	287.20056	287.20093	0.13396764	287.2006	290189	291393	285205	291501	290137	154524	219849	339709	244987	164048	286536	182495	307936	252398	265632	551406	358427	220067	353999	260607	246967	303523	189662	279608	304216	396536	251505	348045	323655	353130	272141	328749	347833	240961	234427	424234	289321	244165	399602	236298	275595	1263021	11965	9400	12221	188009	197370	10208	302597	282468	306659	274939	251208	16885	272903	379032	226379	801559	179488	185268	467594	148664	205905	199012	142169	298064	348982	430174	305675	276629	293763	182084	246990	398994	291126	341615	13042	236261	293560	393292	195175	193458	240774	229347	318127	215171	472600	190646	220023	488444	481648	384731	404597	347659	295834	10184	302422	339905	379337	524943	554262	433987	192671	302696	183470	264758	295742	8311	289243	162167	Lipid	0.10526316	1.3684211	0.0
18	C19 H26 O2	287.20056	287.20093	0.092909545	287.2006	57262	71669	55953	49761	39719	32444	74934	69550	30608	24314	31225	53976	26407	43090	51616	86205	138460	33218	44488	36979	31739	47459	46479	59760	52641	40979	91575	26761	66192	62355	58989	68083	62574	54265	19525	68235	55663	54459	153716	26259	46263	40093	2481	1259	1176	27927	40403	1729	69234	57030	55905	57046	39664	1471	46355	49018	41283	86934	26929	61950	64185	20476	35639	37473	35754	37650	48985	158601	35094	27199	52860	35844	44514	65311	128969	78768	776	28789	80297	39102	64429	34164	60327	37379	56319	61419	99879	36265	43405	172991	65412	59148	86233	34739	40411	1659	61337	54225	53772	82583	97022	72688	50525	49101	18405	54630	46203	1357	81011	19820	Lipid	0.10526316	1.3684211	0.0
28	C19 H26 O2	287.20056	287.2009	0.09004527	287.2006	47499	44959	39482	40630	53603	27161	51095	61325	42648	22703	32324	34265	48905	51031	44956	62330	59639	43856	60183	33916	34592	37911	47299	42368	59767	48573	47218	45014	66056	68578	50804	62272	61028	45238	33157	83195	44125	46515	60923	29303	28808	76577	7515	9114	14152	28417	21806	8097	55396	61232	46623	45290	49283	13080	47029	66566	34312	69750	34439	27063	63406	24359	38058	35394	30856	55790	58466	68513	39001	31784	35376	31514	36779	77337	42349	53656	15177	55399	66667	50326	38899	28634	39495	32200	61280	38835	98664	31673	36667	76622	58219	52587	65351	37352	26977	7986	45769	50278	45796	103836	123408	76432	40887	46163	32369	53130	55808	8108	52463	29941	Lipid	0.10526316	1.3684211	0.0
14	C19 H26 O2	287.20056	287.20093	0.08996632	287.2006	4540	3512	4045	6029	4127	2711	8396	5783	3756	0	0	5002	1993	3093	5282	7782	14932	0	4027	1987	2964	4386	4527	5541	7205	2659	9574	0	7162	5440	3069	8284	5042	2740	0	7094	4958	5765	16800	1648	0	3080	0	883	887	4264	0	1236	5218	4442	4360	3481	2475	584	3312	4504	5382	7069	0	0	0	0	2304	2202	5198	1654	3389	14961	0	2602	2584	1900	2110	4965	12852	6858	526	3340	12412	0	7823	3713	8819	4991	7711	4302	11033	1996	2491	28537	4900	4146	8177	4348	2359	785	8059	4873	7375	6235	9765	4866	6156	7070	0	7808	5800	818	9828	0	Lipid	0.10526316	1.3684211	0.0
20	C19 H26 O2	287.20056	287.2009	0.0816046	287.2006	148451	164137	157558	152411	121792	90264	212096	169957	102071	100320	114536	136304	85991	128188	152119	250143	405889	84070	160011	118304	124746	132691	112175	174660	140572	170165	239911	114614	165664	185954	116067	179221	187831	135729	103774	203927	155102	135686	411715	91054	159250	120094	6452	2050	1347	74304	127485	3286	176937	176782	158169	151432	115416	2569	124265	132588	113511	215680	83660	173749	165673	68977	101098	101283	101922	116775	128544	380031	133984	127972	224248	98121	138054	207406	384230	187804	1601	109521	212015	151629	143882	83300	165419	135490	165203	138016	261423	110079	118187	436523	191293	161476	232809	108746	117521	3446	155729	156164	171501	199140	253166	231903	136323	138026	81682	164401	153897	2483	194308	69961	Lipid	0.10526316	1.3684211	0.0
16	C19 H26 O2	287.20056	287.20093	0.078265615	287.2006	11942	18388	15709	17814	12799	9705	26867	19652	9596	5117	9478	15672	5921	15352	19941	29533	46799	8583	13127	11178	8787	17283	13562	19630	19027	9352	25812	8076	16524	25506	17461	18466	12726	10237	7200	20710	18683	20407	49297	8564	14507	10528	1720	1104	1349	10430	17348	1990	18692	22051	21165	15413	10103	711	13246	16447	13328	24919	8103	22156	15160	4566	12112	10357	14581	9475	12397	48271	7381	8593	12743	9445	12930	21831	46828	21540	936	12316	23706	17457	20281	11943	18358	12285	18891	16565	34391	9488	12304	64778	14022	16823	0	8708	13485	1182	18815	20073	20589	28256	35119	23446	11693	10378	5440	19791	18658	1080	28961	8103	Lipid	0.10526316	1.3684211	0.0
2	C13 H26 O3 N4	287.20776	287.20822	0.010749963	287.20776	8644	10032	8580	7486	0	0	11304	21888	289	1195	2006	6122	0	0	7825	21708	52926	0	0	3539	3496	4623	21427	43353	9132	0	3714	12800	15616	7638	13511	28999	16614	26900	325	25642	15366	6585	54973	0	0	0	0	0	0	6447	362	0	18727	10706	6539	7579	0	0	0	0	447	27002	0	0	16413	0	0	0	0	0	0	75755	0	1100	2130	14469	15893	13269	36379	9446	0	6391	13778	23255	22038	0	0	0	0	293	5984	373	372	37343	12973	16474	53308	1885	529	0	8728	7938	0	0	268	9257	5329	0	273	57168	0	0	10616	613	Peptide	0.23076923	2.0	0.30769232
6	C13 H26 O3 N4	287.20776	287.20807	1.72759E-4	287.20776	1257	1703	1526	0	0	5243	1742	0	0	0	0	1334	0	0	1453	872	0	0	0	0	0	0	0	0	1384	0	2334	0	0	0	0	0	0	0	0	0	0	1764	0	0	0	11102	0	0	0	0	0	0	0	0	1293	1267	3685	0	0	0	34937	2648	0	0	0	0	0	0	0	922	138408	0	0	0	0	0	0	0	0	0	0	2424	0	4719	0	0	0	0	0	0	19692	0	0	2013	8181	0	1336	0	0	0	0	2029	1435	0	0	0	2361	0	0	0	0	0	0	0	Peptide	0.23076923	2.0	0.30769232
20	C16 H30 O4	287.22168	287.22177	0.16649625	287.22174	0	0	0	0	0	0	8557	0	0	0	0	0	0	1602	0	0	0	0	0	0	0	0	0	0	0	1802	6835	2475	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1192	856	1016	0	0	726	0	0	0	0	0	1226	0	0	0	0	0	0	0	0	0	0	1730	0	0	0	0	0	0	0	0	0	0	0	1185	0	0	58287	0	0	5693	8437	0	0	0	3475	0	0	35597	20674	0	1857	0	1248	0	0	0	0	0	0	0	0	0	0	0	1131	0	0	Lipid	0.25	1.875	0.0
24	C16 H30 O4	287.22168	287.222	0.06925431	287.2217	7334	6665	7407	8263	2691	2878	63165	7737	1469	0	9489	2582	0	28010	5707	4540	16332	1178	1464	1756	1797	1288	0	1373	1790	5008	64187	39035	6852	5082	3707	4588	2740	3284	0	5266	1625	5795	17129	1970	15184	8042	16867	3442	6044	0	18776	3297	4976	4441	10668	7438	2572	10859	1270	1180	2129	2776	1846	19931	4439	1616	3598	2695	19721	5501	6892	22937	2064	0	10574	1566	3128	4312	7406	4779	7687	2093	0	288161	885	3309	17928	20121	2363	0	2161	4712	2687	6901	148766	109917	0	16004	5266	4150	6719	10381	3257	0	0	3679	2595	5946	15230	2698	0	2876	2723	8269	Lipid	0.25	1.875	0.0
18	C16 H30 O4	287.22168	287.22186	0.12778455	287.2217	0	0	0	0	0	0	2199	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2391	0	1575	0	0	0	0	0	0	0	0	0	0	0	0	0	0	653	525	696	0	0	720	0	0	0	0	0	490	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	589	0	0	48397	0	0	2980	3885	0	0	0	0	0	0	39110	13652	0	3665	0	730	0	0	0	0	0	0	0	0	0	0	0	451	0	0	Lipid	0.25	1.875	0.0
26	C16 H30 O4	287.22168	287.22202	0.06567142	287.2217	12288	12412	14296	11793	6915	4061	80347	11956	4799	4413	28920	7788	0	16788	9822	0	5789	0	0	4788	8412	4413	6016	5419	5754	19229	100134	127590	8339	6596	6096	6743	6952	4672	4667	7600	4857	11430	7105	6501	13849	14359	17229	10033	17078	10851	12682	7497	6841	9420	13222	9791	5131	17607	4271	13603	18856	4134	8668	19215	6456	10201	3705	8063	26928	5858	8047	8270	12715	3959	12278	6135	6266	8347	8682	6729	17444	6147	7555	501580	6263	12683	18548	26196	9170	21656	9304	8895	6739	4094	70994	62824	4690	52263	9968	9935	15085	14715	7478	6446	6727	6140	8551	12746	52057	7465	5112	10712	7039	2037	Lipid	0.25	1.875	0.0
22	C16 H30 O4	287.22168	287.22192	0.122634254	287.2217	3987	6115	4890	6211	0	0	44523	0	0	0	5658	0	0	31109	0	0	1498	0	0	0	0	0	0	0	0	3664	43717	17575	0	0	0	0	0	0	0	0	0	0	3879	0	0	0	7169	0	1756	0	2306	0	1240	0	4580	4869	0	3402	0	0	993	0	0	1109	1795	0	5734	0	14199	0	3580	1962	0	0	0	0	0	0	1994	1034	2769	1132	0	407386	0	1064	21652	24955	0	0	1703	0	0	0	253799	88689	0	23736	3214	0	5538	7296	0	0	0	0	2353	0	0	0	0	0	0	0	Lipid	0.25	1.875	0.0
4	C15 H30 O3 N2	287.2329	287.23346	0.19551659	287.23297	9792	11816	7896	8811	1583	446	46003	2496	667	0	0	3282	1557	0	3391	16455	12189	330	354	0	0	678	418	1208	6114	0	29816	0	91068	1834	138864	21196	109886	16347	1006	8425	102912	3338	13177	0	0	390	0	287	495	0	0	343	125324	1020	8712	10450	1354	209	366	567	1040	13031	0	0	10002	0	780	498	0	606	643	15332	0	0	0	889	2498	931	218129	6108	396	7169	556	6699	384	0	223	0	948	1496	1402	3719	2533	4389	0	0	1288	0	0	0	9857	10635	0	1074	741	75894	5848	0	0	6413	576	723	12283	269	Peptide	0.2	2.0	0.13333334
2	C15 H30 O3 N2	287.2329	287.23343	0.100185916	287.23294	777	1430	1015	649	0	0	1061	1011	0	0	0	345	0	0	298	4293	2063	1818	1923	0	0	652	0	1272	944	0	0	0	20849	0	42307	1999	3134	4481	0	2917	4665	0	2027	0	0	0	0	0	0	0	0	0	34037	478	923	596	417	0	0	0	241	3499	0	0	2256	0	0	0	0	0	1876	2766	0	0	0	0	0	0	5532	488	0	0	0	0	0	0	0	0	264	1016	346	3874	1264	2789	0	0	2708	0	0	0	852	821	0	0	0	3088	0	390	0	5636	0	0	750	0	Peptide	0.2	2.0	0.13333334
8	C15 H30 O3 N2	287.2329	287.2331	-0.12452653	287.23288	0	1050	1232	896	5521	4096	0	0	1315	0	0	0	0	8420	807	3069	0	0	1339	0	0	0	0	1287	0	0	0	0	769	845	68579	993	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1286	0	798	1425	2709	0	0	0	0	1426	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1673	1407	0	0	0	0	0	0	0	0	0	0	0	0	0	2053	0	0	0	0	0	0	1530	0	10020	0	0	0	0	0	0	0	13497	0	0	0	Peptide	0.2	2.0	0.13333334
24	C20 H30 O1	287.23694	287.23727	0.07558494	287.23697	49467	51942	48748	49344	13232	10031	91777	63137	8863	7161	16785	31490	4568	34108	53599	169743	140423	5879	17979	9365	7202	57788	102689	118129	107401	18727	93074	20209	38624	49886	27156	55149	27647	25696	6184	64135	23365	58700	131216	10060	19862	17422	2330	0	0	28596	36991	0	29865	66189	49347	50266	15047	0	13476	17013	19404	141660	14558	35281	116987	6887	13120	7678	30960	12077	29828	135132	11274	14164	20834	13076	18748	32381	108334	45179	0	23602	162019	66927	102791	45897	39335	27651	21766	19586	303912	15781	21715	834368	85833	64085	287505	38344	42567	0	45846	59789	18124	23960	25201	42737	24975	22632	23820	75166	17420	0	167979	6656	Lipid	0.05	1.5	0.0
28	C20 H30 O1	287.23694	287.2373	0.095717296	287.23697	25480	22912	26287	21994	12959	10548	35002	44062	12287	10401	26429	20104	12111	18062	27987	57204	37724	14131	18856	11858	11836	26429	48568	52159	63127	33726	29655	44223	38644	36008	19971	41505	23181	23116	11592	57848	17663	30813	35031	11391	16018	23082	8188	8056	13475	24478	17115	7174	22029	42728	23420	23485	14860	16833	17694	22378	16451	72287	19229	16431	53056	14414	7009	13742	15848	12858	23553	37280	24763	13771	13666	12880	15893	36686	37656	24126	15693	18102	55339	55271	30052	22070	21866	20506	26078	16761	114813	13026	16570	111968	48461	38899	85355	24952	16704	8925	24063	29060	15855	30919	43092	34567	20660	21852	23026	42357	24064	7963	51872	8821	Lipid	0.05	1.5	0.0
20	C20 H30 O1	287.23694	287.23724	0.1595607	287.237	4448	5538	4614	5212	0	0	7962	3034	0	0	0	1896	0	0	3560	8505	15218	0	0	0	0	3184	3882	2384	11653	0	7117	0	0	1767	1306	2127	1744	2449	0	5415	0	6052	13199	0	1447	0	669	0	0	0	3523	452	2555	2753	3394	3802	1499	455	0	1422	1206	7455	0	3814	4306	0	0	0	1609	0	0	18156	0	0	0	0	1952	1540	15432	1612	0	0	16540	7652	7750	3065	3875	0	0	1097	25263	0	0	75432	7648	6072	18819	3482	2713	0	1619	5065	0	1748	2243	4322	2009	0	1875	6096	0	0	19415	0	Lipid	0.05	1.5	0.0
18	C20 H30 O1	287.23694	287.23727	0.07660099	287.23697	0	0	0	0	0	0	1204	0	0	0	0	0	0	0	0	1816	3044	0	0	0	0	0	1346	0	1992	0	0	0	0	0	0	0	0	0	0	0	0	1417	0	0	0	0	349	0	293	0	0	643	0	1330	0	0	0	276	0	0	0	0	0	0	0	0	0	0	0	0	0	2657	0	0	0	0	0	1275	4297	0	336	0	3041	2225	1381	0	0	0	0	0	5216	0	0	39290	4999	3094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2408	0	Lipid	0.05	1.5	0.0
16	C20 H30 O1	287.23694	287.23694	-0.13371615	287.2369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1434	0	0	0	350	0	365	0	0	406	0	0	0	0	0	290	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2473	0	0	29280	4738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1291	0	Lipid	0.05	1.5	0.0
26	C20 H30 O1	287.23694	287.2373	0.13305973	287.23697	80075	78084	82020	75683	27839	15431	111458	123031	27561	13984	38437	54105	13267	45514	106736	264508	138165	18431	36640	27250	16742	115841	156806	204897	222263	57905	121610	53883	73915	96408	48431	90899	51002	55462	20131	130985	47511	110950	143657	30519	46174	33220	4599	0	0	66358	50221	0	54339	126768	79490	83600	29203	0	35340	37744	38965	289270	37081	63263	209688	25075	18246	26923	38597	26934	53557	156062	40209	35690	38882	29921	44944	93205	195230	84657	0	52279	206438	127482	136437	70216	63508	49031	42345	41580	434523	29783	33992	604689	162686	119176	532907	62312	63132	0	83037	92079	30830	61050	63431	87649	52731	52393	50373	136857	38511	0	300516	13197	Lipid	0.05	1.5	0.0
22	C20 H30 O1	287.23694	287.2373	0.08524662	287.23697	16638	19997	16343	14658	2678	1940	26129	21150	2393	0	3686	6894	0	0	17853	47924	52623	0	2735	0	0	23087	30133	22469	44643	2312	29919	5922	8895	10278	7129	11678	6236	6848	0	16257	6347	20628	38789	0	4589	3083	0	0	397	4584	10820	0	5954	18195	19680	15525	5005	313	0	2745	8116	46611	4491	13453	30051	1961	3758	1501	8145	0	5011	52053	2084	0	2518	3277	4233	10776	45329	10336	559	5149	66065	30405	35828	14050	15374	9224	3290	8670	101781	2772	2752	382449	41560	33445	79070	17147	17640	0	14610	17996	4648	5178	3565	12428	8360	2925	10059	26367	7113	0	65506	0	Lipid	0.05	1.5	0.0
12	C14 H30 O2 N4	287.24414	287.2446	0.14297865	287.2442	1465	0	2069	2309	0	0	0	0	0	0	0	0	0	0	2310	3289	0	0	0	0	0	0	6705	6228	3239	0	0	0	0	0	1033	0	0	0	0	0	6434	2629	0	0	0	0	0	0	0	0	0	0	0	1772	0	0	0	0	0	0	0	12044	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42591	16218	4166	0	0	0	0	0	16152	0	0	96778	0	0	67676	0	0	0	1975	0	0	0	0	2360	0	0	0	17884	0	0	2421	0	Peptide	0.14285715	2.142857	0.2857143
12	C14 H9 O6 N1	288.05026	288.0507	0.18924126	288.05032	3458	7040	4541	7983	14563	8851	3221	5867	9486	3500	4322	8443	15351	7085	5901	5919	12919	23748	21647	4130	5878	10597	12479	7244	2254	0	3285	0	5481	3744	4365	4295	13584	2302	6840	3056	10687	7465	11307	1771	6228	9664	0	0	0	2176	0	0	6318	3218	9867	6667	14364	0	15515	8590	9024	7395	0	0	0	0	27622	16760	9066	20276	12238	11675	0	1622	0	4741	3869	1002	5436	2951	0	5423	12747	0	8980	2272	1621	1140	13683	8207	12120	12842	12553	22795	0	2995	12859	5358	7183	0	6913	8219	8236	12948	12190	4243	7023	0	0	14460	8450	0	3144	26386	Phytochemical	0.42857143	0.64285713	0.071428575
14	C14 H9 O6 N1	288.05026	288.0507	0.23011957	288.05032	9923	10265	6219	7072	10889	7738	3654	2416	10126	4181	4045	5611	17929	6054	3967	8415	9750	15304	13450	2023	5295	10828	5379	3113	3011	0	6386	0	3178	4164	2625	0	16017	6357	5906	4463	9419	5308	14021	3287	6443	7918	0	0	0	3461	0	425	6783	3217	6233	8461	11888	0	11157	11559	4941	13040	0	0	0	1682	13609	8784	5115	16150	11342	14205	0	0	1637	3469	3086	2478	7839	4290	0	3908	11896	0	5937	4457	1759	1237	10612	6740	8350	15200	13284	20304	3820	5650	15263	10148	5692	486	5991	7200	6042	14346	12412	7081	5897	3892	0	8688	6234	0	5590	20182	Phytochemical	0.42857143	0.64285713	0.071428575
10	C11 H13 O8 N1	288.07138	288.07184	0.18787685	288.07144	4064	3597	4131	5066	11105	7925	1356	1370	13786	0	1981	4387	22561	6354	3684	2375	6451	13092	13606	1545	1232	3333	4352	3446	1872	0	2078	0	2466	1738	3155	1766	6756	3444	0	2911	5870	3328	5572	0	1338	6713	0	0	0	0	0	0	2433	2149	3251	3975	8829	0	14063	9748	3663	1468	0	1861	0	2156	21332	17161	5662	14448	6268	6464	0	0	0	3076	2606	1364	4030	2649	0	3751	2670	0	2136	0	944	0	11316	3894	5402	9447	7257	5608	0	2162	5299	1139	0	0	3831	5184	9182	9823	11430	6758	3927	0	0	3280	9061	0	1091	28317	Phytochemical	0.72727275	1.1818181	0.09090909
8	C11 H13 O8 N1	288.07138	288.07187	0.22524206	288.07147	6395	7467	4876	6340	17096	8095	1910	2687	20758	0	2986	5900	32055	5252	2658	4673	8008	17756	17763	0	2353	3198	6368	3851	939	0	2766	0	4452	1374	3936	3560	8015	3545	2762	3364	7545	3646	7150	0	4028	9354	0	0	0	0	1558	0	4184	3256	7680	5636	11890	0	20229	16212	6348	5685	0	2912	4997	1307	28992	23222	7047	18323	8963	5087	0	0	0	2635	3084	2669	6364	2686	0	2335	3224	0	3202	780	823	0	13942	4981	4705	12227	13042	5336	0	0	3961	2500	1487	0	6263	5615	11553	16736	15655	8770	4362	0	0	6317	14636	0	1085	38708	Phytochemical	0.72727275	1.1818181	0.09090909
6	C11 H13 O8 N1	288.07138	288.0719	0.18340178	288.07144	4008	5516	7202	5997	12733	6619	1873	3724	13150	1766	3479	4359	20008	4717	2947	4288	8046	17351	15919	2192	4511	4546	3089	3223	1218	0	1649	0	2558	3451	6476	4407	6945	5622	2427	3674	6700	3027	7980	1910	2635	8656	0	0	0	0	0	0	5251	3110	4960	4965	9635	0	14548	11671	4665	4880	0	1988	4693	1574	22989	16522	4452	18043	9050	7203	0	0	0	3867	4620	2867	3989	2130	0	2476	2879	0	1432	708	734	0	9695	4822	3814	13242	9640	4550	0	0	3786	2072	0	0	4448	6191	8564	12105	15932	6598	2369	1842	0	4958	13796	0	1470	33834	Phytochemical	0.72727275	1.1818181	0.09090909
14	C15 H13 O5 N1	288.08664	288.08707	0.16186298	288.0867	82712	76344	76681	84376	67892	46268	42910	37366	67014	161657	127146	34575	88393	43505	40484	80557	64705	92672	80612	110703	161941	199575	42050	70577	40633	140308	43980	99078	36192	37518	35747	39474	70271	40061	193527	42199	72203	39979	72232	140088	233732	44518	2760	1069	1111	80116	115828	1595	56694	35701	79078	78508	65367	1238	76288	53239	35900	84658	38675	69227	59884	83332	92661	70609	27771	95291	56583	75283	138126	170498	267699	38954	29583	25614	45328	38929	1092	32669	73377	146847	53818	62037	49385	90993	63123	36195	83440	71548	57684	150894	102366	85445	109100	191527	221126	1725	76676	78019	44189	59690	61717	62055	38376	68929	56219	70758	39947	930	58432	94124	Phytochemical	0.33333334	0.8666667	0.06666667
8	C15 H13 O5 N1	288.08664	288.08713	0.14382489	288.0867	61901	57606	37661	57063	49231	24811	26051	28298	48675	81677	62860	21433	63597	17857	24572	94641	36329	43746	65583	74402	88603	120433	33025	90331	13612	48414	26446	33505	21006	20416	18759	23732	41067	26290	93252	20565	32375	21625	57722	58142	104294	33760	1054	548	707	60394	87721	609	39196	22697	57501	58092	33745	752	52344	41214	28458	69034	17829	31350	80083	37280	63151	46384	17165	53669	26430	58811	83863	82529	133218	25045	17253	10143	38968	26461	755	15835	70608	45098	54810	41864	20611	29800	40917	22966	73215	37444	39080	205624	24462	34962	151134	65085	82480	901	57566	61563	44147	55854	44434	49099	23434	39055	22029	50471	35905	565	41024	64761	Phytochemical	0.33333334	0.8666667	0.06666667
4	C15 H13 O5 N1	288.08664	288.08722	0.25426924	288.08673	5967	7444	5817	7645	9765	6373	2742	3763	12364	12379	12779	3252	18219	9427	3895	3879	5571	13056	15568	9115	16775	10106	5887	6469	2807	6802	2664	6879	3492	2488	3202	1433	6307	2879	15398	2809	5735	4656	8060	6599	12743	5964	958	667	793	5459	10904	990	3603	3970	5335	5357	6586	852	13559	13975	5579	5234	2408	5448	5709	5305	14633	11190	3428	12538	5053	6875	13722	8687	17759	2502	2316	2361	1077	2694	449	3399	6507	6927	6361	5184	3175	3320	12563	6156	6424	5312	5858	7688	2361	5371	8716	10258	12755	1748	5784	7054	9622	21047	18632	5882	4051	3865	5077	4987	9069	638	3201	13640	Phytochemical	0.33333334	0.8666667	0.06666667
6	C15 H13 O5 N1	288.08664	288.08716	0.2003545	288.0867	22599	26576	18818	25431	26802	14258	9228	13616	32244	53405	43816	11803	44951	12935	13252	20257	17219	32335	38920	33366	58522	40718	16782	22920	8087	21426	8531	24637	10819	8454	10849	9621	18370	10343	60309	10072	19465	12454	23924	23061	48332	14159	0	328	750	23260	37811	490	15868	11980	24866	24422	20397	669	31641	25334	13421	18366	6973	19632	20715	17396	41789	27513	10067	34230	17003	24513	40872	40143	72084	9987	9131	6288	7157	11412	649	8789	18833	20441	17152	14451	7830	14668	27400	15466	20787	20260	18826	37603	10115	20236	33696	33754	47245	816	22247	19877	17795	34239	39091	16907	9244	16020	8553	18481	20383	465	8794	47677	Phytochemical	0.33333334	0.8666667	0.06666667
22	C15 H13 O5 N1	288.08664	288.08704	0.14527953	288.0867	5000	6136	5423	4319	6511	5733	3094	4897	2965	11405	11593	3626	3696	0	2788	6808	6186	5754	4375	5207	8904	11615	5518	8950	6010	7894	2066	11891	3135	5265	3605	0	7373	3180	7612	2383	7642	2841	7808	13222	21744	4582	0	0	1410	4798	14265	0	5893	2815	6124	6797	4682	1775	2910	1789	4338	7499	3307	5561	5809	7697	5236	3107	4718	5938	5085	7924	14455	10744	13241	5088	3089	1828	2985	4367	1074	2702	4878	15459	3551	8385	4210	5562	2924	3665	4963	8468	5064	15818	10099	7363	11640	15774	14334	0	5523	7799	2584	2392	3805	6648	3593	5548	3952	6085	2184	0	3899	6027	Phytochemical	0.33333334	0.8666667	0.06666667
12	C15 H13 O5 N1	288.08664	288.0871	0.16213694	288.0867	54648	67833	62544	61761	64089	35285	37551	44494	65474	139250	114273	30520	63613	29235	31489	64242	59414	84377	89498	104815	139364	144339	44149	55289	33500	115173	31566	76675	37203	26573	32749	37123	59236	29053	167069	30570	57320	37041	61747	114427	187741	41975	1548	829	1233	72022	96813	1224	46875	38878	71084	64650	53827	967	71404	48403	36821	60577	26215	66154	43142	88093	90894	60028	27318	75487	44000	60482	129586	146190	239618	32593	25110	18208	34704	35735	659	31058	66932	111198	49104	57028	39568	66210	59771	33592	74461	52015	47753	135311	69862	74174	86821	133807	139393	1410	72621	65065	47220	51953	54171	66729	31295	53603	32839	63180	44597	630	47930	101987	Phytochemical	0.33333334	0.8666667	0.06666667
10	C15 H13 O5 N1	288.08664	288.0871	0.16844204	288.0867	60554	57176	59974	54920	67320	33340	32801	55758	53996	114259	86501	36761	69157	25222	41792	57576	67348	74548	79415	87017	135280	107005	65022	54510	48974	91521	31937	55455	34179	30419	26844	28610	59170	30089	119397	25895	48253	41242	71548	88202	128346	37242	2373	876	995	57653	86900	1023	42343	33836	63653	63970	56310	844	66030	48220	28521	56637	23191	64314	51835	54770	70435	61440	30568	73956	46100	72484	152238	126487	201287	27811	27962	14085	36181	27119	1040	30465	104092	82878	48836	49925	33463	42185	59472	30670	114547	51526	41362	119145	39153	55958	99912	116671	121375	956	60013	56747	41873	60501	57317	42195	24073	43525	53034	75328	46360	889	59832	81357	Phytochemical	0.33333334	0.8666667	0.06666667
12	C12 H17 O5 N1 S1	288.09003	288.09045	0.09384706	288.09006	12447	16411	14453	12368	9878	6841	4959	5260	5906	28459	14925	1646	11470	3127	4518	9396	6213	10923	12019	27451	25781	39772	3778	8635	5279	4440	5272	0	6308	4387	4313	8141	8197	9146	26242	5843	8515	4250	11796	33960	27255	5669	0	0	0	26626	19025	0	8643	3849	15729	16020	4891	0	8621	4925	3515	12468	12922	13286	0	19203	5163	6279	2755	6617	5287	8954	0	7897	5447	6035	4185	3501	5138	4672	0	1951	2122	0	2421	13736	11979	13274	5955	4105	5734	4704	6172	8935	64810	82197	10967	20908	60626	0	10825	16634	4592	7147	6810	8095	4557	22983	0	9969	9291	0	3791	10904	Organosulfur	0.41666666	1.4166666	0.083333336
14	C12 H17 O5 N1 S1	288.09003	288.09042	0.14703424	288.09006	17043	13822	14051	14005	12030	11650	6076	4266	8659	35677	12444	3549	15981	4604	4958	9123	3678	14007	11068	28743	22728	29931	3931	4251	11711	5828	8587	10486	7571	3904	6050	11268	10626	9679	30620	9427	13285	3987	4468	40720	21838	2661	0	0	0	18815	27549	0	8703	3705	16527	8722	9533	0	6801	7361	3126	15272	22715	12284	0	23464	5462	3123	2905	11036	4740	6726	0	9173	6899	7594	6269	2278	6409	4486	0	3705	3334	16261	4035	17595	14484	19221	6337	3917	6705	8740	8206	7692	59751	92158	8058	19786	47389	0	13530	11808	7254	9432	9292	11390	4371	20516	0	9401	11051	0	4804	11274	Organosulfur	0.41666666	1.4166666	0.083333336
16	C12 H17 O5 N1 S1	288.09003	288.0904	0.150414	288.09006	0	4417	3033	6382	6107	6094	2802	1931	3271	2941	2519	1521	5456	2669	4057	5380	4120	4895	3455	0	5854	9151	2405	3237	6895	1927	3030	6439	2789	0	2262	3226	4430	2947	4960	1569	2687	3226	5494	11670	10904	3376	0	0	0	8241	5354	0	3824	2117	3630	3417	4313	0	3118	0	2104	8713	6229	6926	0	8271	1750	0	2154	2356	1691	5265	0	3514	2118	1444	2304	1492	1904	3682	0	1962	2997	5603	1073	6792	3800	4941	0	2100	2972	2716	3107	0	22502	28084	0	11837	15416	0	5446	6441	2131	1129	4326	4746	0	8237	4822	0	4454	0	7936	7094	Organosulfur	0.41666666	1.4166666	0.083333336
10	C12 H17 O5 N1 S1	288.09003	288.09045	0.18546537	288.0901	8863	7626	5905	7411	7343	7434	3034	3274	8204	10253	5121	2187	8215	2776	3056	7946	3780	9459	9679	8356	8879	18438	4142	5913	6100	4396	3459	4213	3372	2674	3967	3811	6599	2759	9585	3187	7569	2830	6626	16613	17472	2769	0	0	0	11711	17354	0	4804	2658	9770	9616	8449	0	7165	6573	1814	7358	9710	10589	0	7911	4160	5221	3416	7554	5272	6630	0	3913	5536	3406	1735	2851	2410	2974	0	2477	2412	6040	2270	9686	7515	4681	6274	4373	5308	5229	4145	5075	19734	32043	12124	14846	30240	0	8457	7194	3946	4413	5174	8241	1849	14740	0	4957	7187	0	3579	10643	Organosulfur	0.41666666	1.4166666	0.083333336
8	C12 H17 O5 N1 S1	288.09003	288.09048	0.17515808	288.09006	7419	6758	5856	6583	7393	5674	3465	8650	4660	5287	2809	3770	6299	3372	6624	8358	8413	7638	10834	7447	5912	15754	3949	9229	5144	2241	4317	2232	6649	8550	6263	6391	10251	5699	8589	8044	8414	4648	8110	8108	11988	7493	0	0	0	10319	10707	0	7726	6983	7931	8204	7066	0	7260	4397	2867	9077	8333	10248	8432	6472	5791	5489	2276	6219	5169	8033	0	2884	4074	6712	5450	6648	3189	7805	0	4368	5770	5333	3684	6839	7120	6928	5762	3765	5336	4695	6465	10499	9768	20657	11733	11747	15405	0	7874	7618	4463	5481	6054	9381	5225	9415	0	9431	6596	0	4710	10009	Organosulfur	0.41666666	1.4166666	0.083333336
10	C12 H17 O7 N1	288.1078	288.10822	0.119831204	288.10782	131442	121253	122686	108759	235284	174696	60818	98513	293914	125048	97509	70011	420279	102637	85408	105660	108659	424340	326170	136385	163027	104554	100167	66923	48691	18156	65152	66867	121838	94335	79205	114934	175252	117403	144380	117337	167408	67103	108175	110334	124036	180045	7876	2123	2358	61856	75218	1578	99668	71007	130005	126370	217741	2630	424506	217288	88688	118312	90426	76587	115722	82538	268302	308802	85644	266685	154534	106366	62771	37051	53498	85218	98297	100392	98847	86136	1428	69577	66070	60575	50187	42712	45261	31047	212453	129485	77498	146137	164108	79648	74962	127125	98082	91253	99524	2817	126298	150703	184749	162052	180749	180438	73145	115200	54946	95003	254571	1800	49437	447695	Lipid	0.5833333	1.4166666	0.083333336
0	C12 H17 O7 N1	288.1078	288.10837	0.045273844	288.1078	5450	7918	7764	8573	12166	14890	0	8022	6581	5326	0	2671	12454	5377	1785	0	1021	19198	13707	4885	9525	9314	4029	6462	2387	611	0	637	11449	3638	7203	8558	15240	16857	7366	8717	14647	1292	1890	6918	1376	12823	0	322	845	3941	0	346	12651	6080	7218	7123	11083	622	7899	3001	1466	10541	1487	669	3717	1207	22463	10575	2840	14690	15318	2355	860	2104	0	13117	14096	6303	0	8823	515	3088	1684	1106	1494	860	0	0	2092	1884	2024	8930	12932	2445	4864	5267	12150	1438	0	585	7164	7088	2261	2957	2249	8383	2180	5572	1018	10999	2560	0	1463	28085	Lipid	0.5833333	1.4166666	0.083333336
12	C12 H17 O7 N1	288.1078	288.10822	0.1388567	288.10782	58702	81926	70603	66119	133497	102103	48174	62971	154596	53132	40569	44187	182334	57825	55483	59816	66256	216119	198842	79146	86921	63481	65839	48230	39873	10456	37205	38688	91566	58463	59052	75602	101091	69390	73920	74683	114527	49829	64064	48020	62989	95444	3428	1880	2059	35852	39460	1366	78948	52502	70485	66134	120429	2118	208117	105961	66573	62677	47099	42768	63138	51383	144828	150456	53467	128025	94530	60285	41076	28843	39528	50279	55658	65859	44864	62830	1199	53657	41927	22021	35166	28450	29241	17681	111507	74512	55495	76977	91547	39666	43299	74659	63017	46523	39174	2209	76191	86108	107253	83588	103115	110854	48027	43397	0	56812	143153	1518	32425	210932	Lipid	0.5833333	1.4166666	0.083333336
6	C12 H17 O7 N1	288.1078	288.10828	0.12989515	288.10782	78095	95887	73591	85919	144607	85297	45387	72170	165931	51724	57551	53701	256363	50577	59519	87648	87933	273942	226244	68370	94839	85054	66836	72850	30650	8701	45025	28317	75611	62780	61615	75702	114901	74485	68971	81649	112028	49173	105410	37423	69834	113787	2707	753	1248	48543	68074	673	76579	59164	83790	83704	124725	1652	231857	164969	70169	86454	54934	65505	87651	33813	220356	165697	64064	162725	103687	106532	21698	21268	25762	56103	68076	69633	54136	54131	714	45770	41395	20724	37040	27104	30884	17108	144971	88774	59285	111145	116301	94085	37650	64471	121231	44159	54285	1203	82821	97701	93951	126504	182235	128966	47842	76539	35954	82499	165132	818	36024	311942	Lipid	0.5833333	1.4166666	0.083333336
8	C12 H17 O7 N1	288.1078	288.10825	0.106416896	288.10782	121878	132780	103782	129965	228614	145500	63604	82965	292599	100487	103561	75716	394510	86051	80160	118223	135805	353077	336689	138529	153271	119107	93394	79750	44635	15913	65446	66987	118072	98930	80145	108998	146329	108208	134394	115203	164045	65089	131882	86971	127318	178602	5627	809	1349	74097	91979	907	103655	85548	122074	126010	192604	1590	423037	221532	99869	107157	89726	94724	119001	73678	307222	322498	91796	244703	137071	127521	48926	31650	52964	88740	100272	103482	96125	96882	821	72769	69215	60822	48259	42407	49419	31357	208549	122901	74232	154266	167317	100084	62198	111071	126903	90284	90951	1770	125134	145139	185971	204404	228005	170169	69577	114207	44472	99720	279070	827	46854	429312	Lipid	0.5833333	1.4166666	0.083333336
0	C11 H17 O6 N3	288.11902	288.11957	0.001013637	288.11902	8249	9653	8772	7378	11692	12334	2211	13584	10209	2290	0	5511	18740	8006	2850	0	5399	17762	16320	3402	6819	9120	7891	11176	5236	0	0	1884	16138	5119	12771	10630	25701	14573	4402	11227	14695	3194	7073	1835	2039	19333	0	0	0	3374	0	0	15065	5004	8765	7345	16688	0	11108	6992	5007	19818	1953	1958	5527	647	27453	13668	10404	21989	20296	7257	404	0	0	7234	11435	7931	0	9643	0	4936	3811	3812	2940	632	0	0	6373	4028	6278	13043	17414	11673	13915	9318	19605	2019	0	0	10159	8676	5250	6684	6086	9019	3361	4117	0	21873	6579	0	3506	39020	Peptide	0.54545456	1.5454545	0.27272728
2	C11 H17 O6 N3	288.11902	288.1196	0.18667339	288.11908	14723	13862	11970	12907	20901	17483	4661	11684	17973	5102	6961	10628	33121	13795	9588	3095	13649	25628	26233	5284	9822	21541	11650	11612	4072	0	0	2804	10338	5221	13038	9227	23702	9293	8523	8571	13736	7341	14287	5309	6833	15447	0	0	0	3470	5479	0	11906	5806	13150	16376	21722	0	23547	11930	7746	18240	4809	6209	4824	3162	36198	24084	9650	29732	18467	17171	0	1653	2028	11112	10128	5366	1446	7668	0	7077	8334	7770	6982	1988	2911	889	14707	7001	9274	21745	20936	29903	9027	12317	37348	5771	2116	0	12094	15164	12462	14306	14141	13702	9181	5746	3350	24007	9636	0	5952	49835	Peptide	0.54545456	1.5454545	0.27272728
2	C16 H17 O4 N1	288.12305	288.1236	0.13156328	288.12308	24747	24240	20939	19377	27754	15239	12717	24900	15038	37658	26397	17464	39999	26776	14727	13773	24977	22205	33713	36994	50931	27676	17379	17076	9246	51469	10357	20624	19706	17726	17663	20145	24795	19034	43173	20754	23069	14644	25353	32126	42983	16949	1202	649	929	18775	32402	1197	21644	19695	19430	25463	17484	1119	21835	14049	10656	18622	5870	16429	15731	17992	16528	18365	7886	20913	14980	31270	57798	60549	88427	19932	20939	17847	22214	21555	818	13785	21461	14727	17617	15193	10744	17267	15763	10350	18168	16585	14694	30040	13893	15226	29033	22665	26528	1910	21341	27174	13892	13467	13578	20339	14895	24614	15953	16691	10214	533	14662	20718	Phytochemical	0.25	1.0625	0.0625
18	C16 H17 O4 N1	288.12305	288.1234	0.15719904	288.12308	71152	78568	75863	68977	53085	39959	36655	50554	36016	151353	130642	33391	53719	33693	37649	73265	51746	54510	66551	156912	183976	118897	40835	59393	33995	192540	31645	128026	43603	35669	38523	49814	63647	48021	146281	37883	75004	31886	52097	155369	220572	41730	3993	1855	2445	70922	92593	1672	57013	41740	78307	71056	43850	2156	42416	31663	23943	58123	36868	58240	58464	99558	56370	33138	21268	57403	45254	63353	189577	199079	327383	36470	34980	23029	34371	40474	1636	24855	52361	134902	42921	57839	47412	109067	37019	31099	56939	48583	41487	84148	84803	99613	80268	109014	151752	3142	78036	68537	33990	34817	36929	61363	31755	71610	40533	53365	32452	1846	45210	57184	Phytochemical	0.25	1.0625	0.0625
22	C16 H17 O4 N1	288.12305	288.1234	0.19675735	288.12308	10278	13384	12641	10050	10199	7709	7639	7529	7488	16742	28711	8745	5589	6707	6435	12494	11922	7147	12911	18945	20792	22569	7332	12938	6287	18302	7618	21136	10258	7703	9105	8467	14355	10403	17594	8641	15005	6602	10046	20468	38528	9856	0	0	2634	10233	17395	0	10229	6999	11264	13404	8082	2436	5539	3368	5668	11583	8929	9072	9734	13657	9200	7116	4029	11484	10164	11490	26891	14434	39281	7463	9010	5258	6504	9156	2841	7054	12284	22180	10116	11266	8776	16861	6279	6731	11610	12279	8297	17502	10567	19089	16776	21376	16710	0	10956	13148	8371	5008	7430	11997	7323	14808	7983	15357	5284	0	10192	10849	Phytochemical	0.25	1.0625	0.0625
12	C16 H17 O4 N1	288.12305	288.12347	0.11700124	288.12308	83810	79281	91385	90738	46674	34958	40035	60193	42931	185370	135290	34741	39938	29204	38624	80140	71095	67385	76335	203755	254739	158077	50838	87944	45110	281489	43431	92335	49890	48593	49404	58824	79137	50097	204084	48333	70359	40106	82007	187157	253618	44749	2718	1009	1201	101261	129043	1565	62464	63589	101611	94110	46558	1362	58332	29906	31697	80712	35578	66986	78792	113908	66163	43633	25173	62230	44830	86156	286061	345129	477577	46143	41637	40862	59516	55253	1011	36804	69307	81250	50534	64687	52438	116021	42727	31783	67259	46230	40483	145122	99087	96351	114664	122601	164092	1792	99033	96464	37389	37871	37952	65984	36136	69836	42710	69048	35945	1070	50922	59049	Phytochemical	0.25	1.0625	0.0625
16	C16 H17 O4 N1	288.12305	288.12344	0.15376501	288.12308	100379	104284	99143	113067	65301	57126	51305	69022	50471	211185	173456	44476	50599	43785	43856	96889	92321	84249	99110	239715	275495	172807	50018	92655	55437	310414	44261	158784	62038	47552	58111	64890	99030	64946	216929	66556	91363	41122	96427	229448	326307	56525	3114	1795	1540	99813	135699	1936	79406	59431	100098	117958	63954	1891	49339	35941	42584	115628	50362	94087	59899	139602	59077	48825	30610	62131	63942	99711	286766	349962	498234	56959	47450	40702	65874	51072	2002	36495	74312	166843	46520	78551	61643	177615	54141	39129	79994	68476	60346	151025	118620	149040	124432	174738	226038	2231	107035	100162	43791	45366	41097	87556	36861	84828	58259	75717	49359	1482	62916	73808	Phytochemical	0.25	1.0625	0.0625
10	C16 H17 O4 N1	288.12305	288.12347	0.12330592	288.12308	87088	82247	69936	67419	39645	34313	35524	59443	43821	180865	100184	33639	44963	25201	40467	67811	45598	49634	66025	154517	210005	130020	42430	87209	39609	232889	40352	92114	42077	43397	40755	50982	65185	46681	176089	44791	68570	37072	66384	146861	200184	35950	2538	1122	1262	79727	90666	1433	56457	44371	80524	74379	41294	1454	50459	30864	21891	72584	27055	56407	87690	83511	46757	34503	20895	51111	43359	63305	228544	285635	388227	47709	42734	33307	50782	42239	1251	28760	51076	80387	40395	47915	33305	88035	40463	24706	55524	39587	38470	123256	78320	69375	135296	98508	159684	1966	78350	74851	38719	30537	35473	62526	31826	58638	33990	65196	34994	1505	42742	60477	Phytochemical	0.25	1.0625	0.0625
14	C16 H17 O4 N1	288.12305	288.12344	0.1349221	288.12308	114942	114118	103462	111098	64290	47487	59975	73308	56304	285598	195378	49062	57403	34203	50365	94289	96586	73498	83877	251785	294623	183677	48430	98323	56988	351209	52442	176519	52164	62816	53704	68709	83534	56372	269140	56635	84113	43811	90783	264671	356038	54272	0	1151	1213	113622	153994	2021	77218	60360	108362	105152	57937	1312	58867	38136	39321	86181	45714	103993	77741	142883	63144	48321	29843	75239	50859	95794	280491	411148	617939	57352	50379	42761	63128	59930	1374	49229	69856	162514	55825	85499	65286	182667	49291	36198	84645	70102	67047	170134	145428	121354	132488	186092	250338	1818	112295	102900	39740	44328	46178	74824	45370	95417	44786	89446	38121	1415	61295	62502	Phytochemical	0.25	1.0625	0.0625
6	C16 H17 O4 N1	288.12305	288.12354	0.11943207	288.12308	65937	69379	53650	59620	38681	33384	30059	51800	36855	185674	99171	26049	42932	29343	30946	57540	40815	49482	61424	169986	212648	88335	37308	61247	31261	218655	30617	91699	40170	35183	38310	38390	55875	37920	190392	39517	53481	29619	53811	97551	158335	30555	1404	764	1124	80112	110005	876	53327	40248	69080	63513	35853	862	41735	25774	20899	48954	10932	41060	50650	71868	42438	30480	16967	43990	36791	61737	198317	278718	379883	36637	34474	32797	30170	33839	997	24537	38321	71368	31377	38505	22219	81253	32490	27596	41959	34473	28407	82638	54791	49539	62898	89262	143762	1460	53815	54475	25998	26396	34949	52680	28485	51147	39896	42770	25696	809	31363	45976	Phytochemical	0.25	1.0625	0.0625
8	C16 H17 O4 N1	288.12305	288.1235	0.0977386	288.12308	81026	83045	63486	89490	46190	38012	37090	52987	50604	209944	127171	36021	50217	28095	33454	87734	75328	57853	79391	216580	250591	131919	45458	105646	41389	244560	43106	113610	49365	46564	39759	55569	65614	49864	242705	49653	68174	36329	81138	151986	212899	37721	1934	994	1266	96151	127346	979	70103	40434	77262	82698	43696	789	57195	30298	26734	67860	16900	51070	71283	95300	62529	45500	25955	48686	41189	98275	229086	290193	406606	47099	45158	30460	47306	44498	1209	29042	62602	88450	43787	46025	29407	101900	40635	22929	59326	42532	41643	112683	80178	59560	115782	109145	191806	1306	80450	79370	38819	41826	40895	60354	30703	64054	41437	68377	33609	1024	47559	65801	Phytochemical	0.25	1.0625	0.0625
20	C16 H17 O4 N1	288.12305	288.1234	0.16161533	288.12308	30635	33963	30320	27217	28265	23740	13335	21694	14128	70471	63184	14581	15320	14817	19039	35811	24314	23104	25711	69144	73486	55547	16189	30293	17796	69913	17408	65946	24262	19578	18771	23557	31823	19857	58874	22037	39644	13218	25837	73386	107323	22152	3075	2521	2148	35039	38157	3093	27682	18400	31038	33233	26457	1991	24245	14547	13719	29810	21126	25020	28014	42040	26007	19184	10985	28464	23177	28446	78119	72091	110196	21759	20829	11763	12644	16117	2279	16752	19317	57810	16996	24270	21695	47659	22143	14066	25391	27226	23843	35108	40701	39288	42572	51718	47592	2973	33640	31807	14454	14638	19249	34176	14326	29909	23320	33061	15540	2031	18098	29980	Phytochemical	0.25	1.0625	0.0625
4	C16 H17 O4 N1	288.12305	288.1236	0.15613246	288.12308	39676	40140	37035	35753	27973	21610	15871	30471	28513	88633	49955	19430	37361	25031	21313	34549	37672	33831	39734	89037	119440	61110	27380	31690	16898	152488	18320	41308	24945	21183	21365	24647	32544	22978	104825	22254	31546	18927	39388	67429	99696	24061	1710	802	1149	48906	84745	1757	30546	28634	37010	31519	25495	1023	33512	22477	15809	24461	7759	28079	28726	46712	30268	27138	10570	28190	18762	36778	145202	153575	234462	22025	20777	20065	23461	20545	742	18023	33059	45946	29145	27817	18063	46434	28119	16682	26830	20967	21138	42014	35204	32885	44010	60024	86832	2582	32874	43654	27346	27228	28596	32369	19080	37659	33358	25731	21383	1079	20231	31557	Phytochemical	0.25	1.0625	0.0625
6	C15 H17 O3 N3	288.13428	288.13477	0.1379714	288.1343	27747	28744	25916	25670	10305	11005	20068	32243	8602	30915	23794	18524	4159	9076	22905	39137	39748	12246	15564	33203	40019	28781	22135	41090	25050	22076	19935	30951	24695	22864	21387	25672	39647	24356	31626	21143	29811	21401	42908	27674	41185	14683	0	0	0	32832	34463	0	29327	22846	29826	28093	13315	0	8384	3248	9609	30413	6857	17752	34416	17995	6303	5930	6621	10109	16622	57544	17570	30895	39115	22869	20411	15362	19839	18987	0	15285	28385	37134	30406	12527	12288	24309	5588	9600	33650	28725	18445	75759	53911	33696	61164	24367	38836	0	23932	26026	7052	3379	4524	35215	15929	25476	12067	36140	7918	0	29695	7434	Peptide	0.2	1.1333333	0.2
8	C15 H17 O3 N3	288.13428	288.13474	0.10491862	288.1343	22312	21993	19334	24076	8217	9212	17166	20840	6515	28118	20670	16090	2393	6481	15727	31188	26563	7976	12261	32205	33519	28395	13961	34623	17856	18431	17207	22854	16725	16648	16820	19179	23376	19411	27363	16225	23490	14013	33021	30591	37572	10156	0	0	0	31918	32211	0	25321	21634	19930	22260	10470	0	5801	2745	7261	27976	8177	18005	22741	17403	5185	5915	7708	7083	11992	28765	15161	26345	26699	20034	19202	15515	18808	18390	0	14754	23795	30982	17944	11531	13920	22873	3145	7453	23204	15281	13818	67015	40734	30679	58927	24319	30823	0	26773	20757	7519	4684	3909	20708	13749	21072	0	26398	6892	0	24536	5478	Peptide	0.2	1.1333333	0.2
12	C15 H17 O3 N3	288.13428	288.1347	0.17375141	288.1343	10700	12315	11700	11406	4216	3951	9291	13597	3929	10149	5576	7892	1841	4023	9009	21142	22301	5074	8682	12886	12241	16344	12339	20456	17478	9682	7299	0	13916	9285	9529	10084	14795	11220	14892	12712	15778	11164	21212	10090	20198	8455	0	0	0	12399	11996	0	12856	13199	12489	10607	8232	0	3837	1212	5233	20379	0	12054	0	6585	2485	3529	5763	5738	5149	29622	0	13619	15664	9820	11464	7407	14218	9240	0	7925	16611	0	14513	6873	9177	10834	2231	4018	15856	11255	8409	57114	23722	14166	42021	12256	13096	0	13142	11744	2726	1871	1798	10362	9057	10123	0	24327	3297	0	19492	0	Peptide	0.2	1.1333333	0.2
4	C15 H17 O3 N3	288.13428	288.13483	0.15809684	288.1343	18562	17311	17398	17252	9051	8445	13275	18312	6498	30626	19846	13344	4549	11239	14391	24991	34521	8454	12864	24450	32508	26888	15583	26015	16144	22142	16014	30276	17121	12667	16002	16943	20216	14030	44625	15446	18640	15130	39797	21542	30069	11799	0	0	0	21955	32887	0	20390	18185	18842	16473	10147	0	8196	4751	7816	20848	4802	12012	24227	13930	6802	6071	6672	7065	9530	37839	18367	25555	31534	14733	10071	10779	18262	12747	0	11260	23737	28576	20425	10787	9139	16293	5630	8263	23036	28370	12127	49180	31238	17829	46897	17421	23949	0	16349	22742	8405	6157	8514	20334	11024	23793	13197	22897	7169	0	19214	7852	Peptide	0.2	1.1333333	0.2
10	C15 H17 O3 N3	288.13428	288.1347	0.15586722	288.1343	16855	10215	12458	13337	5245	5069	12013	18037	3323	20452	12534	12995	2542	3690	12322	23895	21475	4804	10205	17446	20100	26170	12384	28809	15384	13643	12661	13257	14226	14407	11906	14704	16976	15907	13480	11682	17109	11909	25543	19908	25960	8482	0	0	0	12383	20878	0	15330	15712	15924	18416	6638	0	4731	1821	4823	23190	8749	19022	21315	9055	2465	3885	3157	6778	6707	28111	12662	14301	17797	14778	12687	10477	15661	9868	0	11051	14264	20152	15358	9292	11332	13831	3317	3672	21832	11164	9138	50053	23625	17699	39261	17133	27134	0	15038	13162	2313	1802	962	16801	9299	18306	0	21126	4247	0	16823	4583	Peptide	0.2	1.1333333	0.2
2	C15 H17 O3 N3	288.13428	288.13486	0.12063129	288.1343	24649	0	21384	23059	8280	14249	25728	30456	6803	21104	15625	0	5811	5981	0	16806	47855	12197	15648	21578	31984	37660	27705	38744	17406	12442	11927	18430	27579	19577	26716	23389	33336	22275	26312	23543	26457	0	0	19357	28365	15426	225	0	0	18553	21090	0	28713	22829	0	21909	13033	0	9234	2952	8713	36500	6920	14826	20320	12271	5702	7134	10074	11125	17349	59800	13785	21262	24541	23354	20923	18901	17170	23093	0	18894	38074	21022	32357	12528	11662	15835	4680	10446	36358	19896	17318	130093	0	27528	84053	19057	12818	0	22749	22986	7386	3875	4348	27689	19536	21515	12930	41813	4951	0	38483	8307	Peptide	0.2	1.1333333	0.2
22	C18 H18 O1 N1 Na1	288.1359	288.13626	0.20038573	288.13596	2496	0	0	0	0	0	6620	2662	0	0	0	4569	0	0	0	0	17831	2933	1927	0	0	0	0	0	0	0	5984	0	9054	8363	0	8729	3060	7818	0	13973	7570	1113	28947	0	0	0	0	0	0	0	0	0	6134	5521	0	1212	1992	0	0	0	0	0	0	0	0	0	0	0	0	0	3299	0	0	0	0	3281	5802	11034	18156	9659	0	3221	0	0	0	0	0	0	0	1220	0	0	0	0	0	0	0	0	0	0	0	2375	0	0	0	6590	4400	0	0	0	0	0	0	0	Phytochemical	0.055555556	1.0	0.055555556
20	C13 H21 O6 N1	288.14417	288.14453	0.17533033	288.14423	10466	12351	12179	10011	8669	5968	16959	11140	4539	10182	22051	11804	7704	196896	5879	9534	17758	9793	10390	7022	7645	6656	5507	6726	4866	0	73245	20115	11721	14138	8233	12471	11377	14017	1724	11893	11056	3252	14371	2183	12408	11132	2855	2115	4070	10512	14594	3785	7727	12816	8192	10215	8761	2992	11950	15575	10554	6481	3904	37341	49768	6070	39046	7944	252429	9153	16863	16327	33445	6406	12773	8565	15328	22402	15890	16822	3316	4574	5194	54776	3047	19043	4186	0	9572	6923	4043	8931	9099	10931	8163	4968	10920	6732	8955	2784	9570	12877	9769	7015	12936	15846	6411	24299	6355	7144	6714	3487	3990	16381	Lipid	0.46153846	1.6153846	0.07692308
14	C13 H21 O6 N1	288.14417	288.14456	0.083271	288.1442	156091	141463	127177	152416	264546	227383	131263	161794	249236	81253	72777	100457	448374	187495	132114	201648	301224	550058	412376	189651	216116	88199	143112	141941	127089	108178	109267	107105	291149	212935	116809	183528	290814	180798	118211	248123	214005	91983	248357	83707	84464	231292	14978	2741	3741	102778	92268	3555	175881	139285	125315	135164	253234	4439	390914	295879	113417	208445	105559	75502	161989	68487	255465	244624	140247	269712	243289	207923	67571	75518	71281	118320	165019	212608	251404	153891	2258	113423	108184	87074	78347	68443	107264	84319	323182	193295	151405	169504	210189	142088	141187	125051	148707	75100	112515	5523	143967	223939	204161	275629	369266	286436	97956	168559	48969	128169	316066	3486	79010	276242	Lipid	0.46153846	1.6153846	0.07692308
2	C13 H21 O6 N1	288.14417	288.1447	0.07415371	288.1442	100528	95766	88470	49727	116536	73038	18686	102204	56651	64206	20602	55992	204208	51744	55348	26215	67132	193846	168162	77096	101994	141438	69144	96716	41252	5175	10669	17752	138376	75282	114988	124816	174186	119622	53406	108494	149980	44118	74824	39467	52936	45714	984	656	752	55730	42036	392	118254	54816	100274	97862	109360	919	138982	67074	37784	156040	57098	49702	66484	31272	105923	63815	55253	165052	105734	93636	13481	39064	18615	117414	117012	90898	11377	46385	460	53516	32191	13280	46020	18382	13117	6361	34542	43608	71446	124964	147076	119838	102788	120040	164298	37226	28252	1126	97956	96708	57602	82234	80350	96508	55596	85736	30406	130716	31887	563	35544	303910	Lipid	0.46153846	1.6153846	0.07692308
12	C13 H21 O6 N1	288.14417	288.1446	0.06427984	288.1442	148621	161066	182974	154785	333900	242910	187853	234357	291146	183411	111883	115217	405005	189960	204745	182338	271354	571770	557567	275164	332751	154958	205333	161047	198486	141009	79829	195379	352233	149605	184784	190266	313780	233595	209780	254635	223341	154402	236098	121584	120062	248829	16164	2147	2495	154375	117654	2478	174051	135464	169621	154635	298735	4282	483626	297365	153392	230544	149753	143890	154656	102992	319447	285833	153356	373141	247429	205628	99304	127090	125545	155146	195111	210381	133037	149273	1788	155506	150158	116131	108097	105670	229541	142230	325798	239352	187139	177743	243192	166208	454572	295478	218094	105869	128884	5675	168965	232517	238498	266042	368990	251254	136342	124936	100649	188996	376142	3453	127050	381913	Lipid	0.46153846	1.6153846	0.07692308
6	C13 H21 O6 N1	288.14417	288.14462	0.045402512	288.14417	77007	83542	77595	83940	97291	68846	55787	84406	98628	72429	39084	51948	174780	40346	76326	99919	103723	168518	148824	95721	106112	88842	67099	85770	37577	31385	49297	35701	107848	83549	67541	78823	103743	76267	92128	93970	107337	55297	103289	51161	62853	86900	2544	864	1293	71033	72238	795	89881	79271	78424	80317	87517	1712	174231	122970	47097	97781	73879	81883	99635	34913	139366	102195	38858	99292	75941	119780	44000	41662	45333	63686	75955	85351	54378	65951	881	49096	55712	31531	41929	41740	69196	35026	111129	72002	69326	67939	74029	91095	57036	91021	105786	42537	63122	1488	79075	87073	66256	117574	161066	128770	49266	106176	37670	76132	113814	743	40306	190658	Lipid	0.46153846	1.6153846	0.07692308
2	C12 H21 O5 N3	288.1554	288.15594	0.13847505	288.15543	34122	34759	28405	30060	23552	31937	17017	26710	30219	13257	28123	20193	56632	10416	24491	18301	30823	41832	38485	9779	11250	30749	25130	29171	14771	830	8268	86746	31770	17254	29328	30529	43850	23238	15953	27561	36259	19825	39644	7436	7519	23612	376	0	0	8963	8241	0	35573	17203	29118	31701	28900	0	35384	13155	15983	41261	8541	6870	19024	3134	31156	27855	16148	60878	32684	42035	2075	4204	2774	23740	24860	23527	9267	22075	0	17014	18566	110848	15701	4935	6140	2731	19583	21139	24352	48107	30388	49868	199666	98134	60833	38349	6369	0	30668	33215	18579	15372	15344	31246	21054	14040	5196	43123	20712	0	17845	61045	Peptide	0.41666666	1.75	0.25
12	C12 H21 O5 N3	288.1554	288.1557	0.07676756	288.15543	0	0	1649	0	0	0	0	1393	0	0	0	0	0	0	0	2680	0	0	0	0	0	0	3297	9495	1958	0	0	0	0	0	0	2640	0	8546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10098	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7366	0	4348	0	0	0	0	0	72469	0	0	0	4279	0	0	0	0	0	0	0	0	0	0	1667	0	0	0	0	0	0	4318	0	Peptide	0.41666666	1.75	0.25
6	C12 H21 O5 N3	288.1554	288.15588	0.14308552	288.15543	7764	8501	9850	8659	3964	3140	6461	9986	4298	4556	3476	6605	4583	1773	8035	22163	13940	5334	8440	3390	2774	12912	8609	16652	6458	0	5828	11353	8782	8464	8264	10923	14292	8069	4880	8972	12822	8919	18602	0	1262	5507	0	0	0	3747	2348	0	13582	9515	8830	9618	5677	0	3895	1847	3860	20734	2311	2591	18123	0	4536	3863	2761	4437	6176	21345	0	0	0	7702	9250	7408	7351	7702	0	6165	9666	9231	8296	2993	2351	967	2420	3244	16966	5144	7342	31837	34284	15626	29925	3713	2593	0	7966	7506	2172	2311	2232	11804	5836	4088	0	21867	3709	0	8856	6977	Peptide	0.41666666	1.75	0.25
8	C17 H21 O3 N1	288.15942	288.15985	0.045253854	288.15942	63846	68105	54500	71007	20718	18367	33380	69109	18193	162902	91018	39452	14717	15933	34503	72188	74963	23756	39498	191367	203422	62281	36131	81391	37681	174413	49080	87613	56305	57914	56461	70093	69219	67075	192977	53248	77132	32919	92432	105390	89141	26649	1148	672	809	57350	66374	624	82566	62953	61837	62483	22368	858	21384	8991	15827	66606	2091	37519	65674	45706	20699	18709	14101	29249	30650	98763	114589	190486	224081	66552	61639	51463	62705	65420	858	38034	41482	65298	34048	12971	11312	87441	11373	12792	37751	31126	31348	115238	106972	25535	112419	63856	117795	611	64583	68956	14012	10490	11582	69029	37883	62078	18881	68365	10647	580	42842	19321	Phytochemical	0.1764706	1.2352941	0.05882353
2	C17 H21 O3 N1	288.15942	288.15994	0.04411999	288.15942	54493	53541	49893	49245	6690	0	45061	108295	5236	71569	33622	44699	3836	5496	47682	103176	93288	13969	19036	91984	85331	37581	41862	84659	48986	67345	54611	23512	88702	82501	65826	95772	68711	70401	67299	96044	80896	39473	94929	59819	43669	28366	704	428	603	30993	35314	456	124655	115398	45915	47277	17127	601	9050	2509	9254	73137	2665	8225	84843	25792	4660	7864	10497	11100	29524	103082	39792	66526	74277	77028	74678	83120	131667	73977	607	47280	41419	25783	42800	8463	13883	41192	4310	10334	32609	25087	26570	63575	44978	21883	86324	27276	74336	861	54001	59197	5861	2666	2847	76662	35975	81086	15155	63433	3066	475	45934	6416	Phytochemical	0.1764706	1.2352941	0.05882353
20	C17 H21 O3 N1	288.15942	288.1598	0.13940325	288.15945	41361	38977	41703	36901	24454	17996	21535	28703	12061	99748	100258	21268	10201	16760	16020	42421	34647	17423	26153	119683	132268	54099	18253	36430	22370	194842	21710	107965	26292	30849	20571	27749	28623	27658	93297	26837	29085	13554	33277	93331	132592	25934	8200	12849	11801	40212	56353	8601	32336	27457	38845	41458	23384	11849	13719	12673	12859	36494	22551	46050	38521	48093	10977	9073	10675	23542	27329	36566	135727	142639	245419	26353	24750	23182	29306	24682	13840	16201	20065	64439	14245	24059	25162	67056	15871	13087	27855	25172	19917	44263	54864	44145	39897	63442	68451	9352	35887	34936	14806	13903	15197	39516	19491	52066	27089	32348	12681	12001	22593	17361	Phytochemical	0.1764706	1.2352941	0.05882353
4	C17 H21 O3 N1	288.15942	288.15994	0.10694336	288.15945	86695	95614	85675	81915	18668	27719	52983	120748	14787	179972	82253	55768	18113	16509	55600	141485	86882	32820	46605	198456	222147	111537	52384	113393	55365	190435	69721	82770	92168	79129	89975	108520	119118	88725	225013	94893	114304	52737	98273	123512	85742	31576	1301	561	758	64637	75494	597	125548	112852	87034	71388	28409	649	23076	15188	17059	141758	2784	9085	130832	61910	15396	20154	14497	25333	36009	122636	119372	208144	235621	88628	81257	93609	124574	80044	624	61721	56096	80490	55080	11854	15471	97093	10321	17293	49340	39641	42991	161905	109728	32810	212052	87103	178594	1081	82806	92675	12992	7575	8675	102701	50148	93220	31361	144417	8619	667	50976	16100	Phytochemical	0.1764706	1.2352941	0.05882353
10	C17 H21 O3 N1	288.15942	288.15982	0.06224975	288.15942	47823	44454	37518	36435	11242	14203	23794	38039	11593	94260	58243	24307	8223	9434	17951	46144	37804	17176	26894	105477	113319	35134	20387	44079	22390	130727	37400	51305	34597	35268	26259	41102	45996	34506	98585	35326	43531	22155	50330	65098	74187	16654	981	743	1188	36557	43280	761	49150	30917	32870	36285	15713	808	13467	5122	10005	47094	3401	17480	40928	29263	11454	8998	9036	16423	18883	68175	94074	146765	171836	32667	34865	29008	46125	31462	900	17793	24939	29444	26533	11719	8207	48195	10637	8207	27250	19129	21115	63910	41546	16212	57696	39669	71645	814	36432	35115	9667	5547	10486	43213	18086	28481	0	34948	6936	677	29048	14660	Phytochemical	0.1764706	1.2352941	0.05882353
14	C17 H21 O3 N1	288.15942	288.15982	0.09480632	288.15945	35224	35763	33513	31189	13761	10078	15708	25156	14942	76288	57698	16308	5566	11626	15950	27150	35075	9765	14413	71589	101422	41821	12945	29008	15039	115584	22437	58191	16123	18806	20247	19915	27175	24073	76791	21309	27739	14246	32821	71675	95100	11677	0	870	1055	30832	46926	1289	27121	22107	37103	35308	14284	1212	8607	6524	9135	29659	8617	36820	19263	38045	8677	8918	8058	12197	17862	39534	83061	112769	184684	22651	19044	19918	27491	25459	1035	15195	19848	37683	20206	18735	20662	51089	9927	8145	22889	17873	17302	58806	41396	25787	38949	39985	64377	916	32385	26512	8805	8905	7839	23487	16927	29688	0	30646	7346	878	22791	8313	Phytochemical	0.1764706	1.2352941	0.05882353
18	C17 H21 O3 N1	288.15942	288.1598	0.13697557	288.15945	36949	46099	39731	39268	19603	15711	22166	33479	10993	68530	59076	21529	11246	15231	18952	42164	44870	12803	14072	73586	74104	45522	16666	37299	18876	154043	26805	57925	25032	30522	25349	34243	34839	25494	62161	29098	33783	21024	44341	71896	120208	18942	3125	3089	4307	34215	54156	2661	30417	28606	36801	42517	15901	4913	8092	8848	11316	41072	18803	43590	29783	41216	12984	12356	14262	14911	23984	58006	111660	122483	184311	28510	22700	23189	39845	28083	4748	16022	21058	55282	17646	30088	26980	58899	13762	11008	24660	26579	23095	64699	47621	38656	55100	44175	57828	3283	39461	38017	12829	9500	7000	35956	19466	34655	18985	34779	13350	2930	28856	12847	Phytochemical	0.1764706	1.2352941	0.05882353
12	C17 H21 O3 N1	288.15942	288.15985	0.09141557	288.15945	20147	33785	28397	25126	12836	10914	12401	25497	10128	71644	44082	11916	4882	6195	11641	31444	26931	9990	16617	87508	98580	32285	13450	30075	13643	97618	18730	31120	17653	20972	13260	24206	24139	21046	81777	20733	17850	14732	34816	57747	85166	9790	773	868	947	24396	40142	978	28560	21844	30319	32518	10464	715	8327	7039	8402	28571	4719	17619	22136	26106	8958	8876	7689	11968	13379	28692	74553	113390	151790	18973	17668	15098	25827	19288	764	11075	17551	32116	15549	11542	10487	38461	7023	5645	17526	12506	13514	54023	36733	22649	45285	26906	58217	615	27980	31922	7333	12803	14968	25901	12583	21118	0	24590	6749	1025	17884	7951	Phytochemical	0.1764706	1.2352941	0.05882353
16	C17 H21 O3 N1	288.15942	288.15982	0.119821504	288.15945	34387	30859	33557	32425	16260	9475	24278	26463	6029	74268	58937	23576	6556	10670	17159	31530	47372	13731	19844	82902	90315	39005	20233	33381	20837	123867	20676	40920	24736	27324	26301	24664	30714	25282	65327	22214	31521	16895	48890	61939	119828	16704	1502	2116	2086	32864	49965	1779	34302	25434	30420	37267	11345	1959	7726	6722	9610	31786	15907	39998	28408	38035	9356	5446	9336	13163	13920	46665	98718	116839	177773	23332	21909	21605	36519	26664	2485	16088	20681	52650	18933	26271	21521	55753	7614	11505	25794	24204	14670	66776	37437	43638	44500	50249	67343	1546	39596	34269	8508	8348	10224	26558	14656	29355	22542	25445	6340	1553	24818	11989	Phytochemical	0.1764706	1.2352941	0.05882353
24	C14 H25 O3 N1 S1	288.16278	288.1631	0.16435029	288.16284	1139	1201	0	1079	0	0	0	25719	0	0	0	0	0	0	1528	1399	0	0	0	0	0	0	5114	2858	0	0	0	1091	7674	11250	8856	8666	5859	7982	0	11118	4992	0	1266	0	0	0	0	0	0	0	0	0	4633	14482	2614	2249	0	0	0	0	0	13468	0	0	5730	0	0	0	0	2027	0	0	0	0	0	13053	10279	9798	0	6649	0	2829	0	0	0	0	0	0	0	0	0	0	1923	0	0	0	0	0	0	0	2157	1592	0	0	0	1898	1116	0	0	4981	0	0	0	0	Organosulfur	0.21428572	1.7857143	0.071428575
20	C14 H25 O5 N1	288.18054	288.1809	0.107424624	288.18057	19729	20285	19939	24633	24361	20736	23678	15274	10123	3898	9512	12403	32284	211185	14582	80173	26871	24782	28296	6631	7778	5618	12378	16614	23312	1695	27896	22941	23457	25158	18662	18511	28039	25849	15054	20393	32321	9756	27124	5353	6049	21215	11133	2246	2822	11768	11698	3458	23148	15570	20261	21240	20220	5889	30103	24931	14413	27373	24879	14401	31357	3876	63215	19834	123126	25177	32291	25317	2659	4648	2583	15445	25304	27971	23413	27916	2903	12840	9966	39035	6260	6601	10534	0	20607	15004	25290	15698	20208	18053	34503	29747	14907	17315	7039	4963	20922	27865	21439	21706	30972	34839	12363	15015	284750	19021	23672	3399	17742	19284	Lipid	0.35714287	1.7857143	0.071428575
22	C14 H25 O5 N1	288.18054	288.18094	0.18061897	288.1806	3999	4510	4935	5622	7903	4936	7753	4943	4126	0	2143	4163	5097	45872	3708	31186	6532	9179	6824	1904	1806	0	3433	3944	2857	0	8009	6014	6593	5090	3789	5340	5140	7980	2085	6020	6815	2904	8244	0	1477	8319	3246	0	1890	1434	3681	0	3777	3195	7081	2913	5441	3782	4575	6932	4807	6422	2206	3519	9226	2391	16526	5666	26149	6378	7671	6819	0	0	0	3159	3871	4707	6052	3153	2255	5003	3430	7242	999	2125	2501	1128	5742	4560	6262	4420	4329	5446	21217	10421	4206	1674	0	0	5208	5230	5486	4949	8589	7611	2818	3968	4156	4794	6392	0	5028	4510	Lipid	0.35714287	1.7857143	0.071428575
12	C14 H25 O5 N1	288.18054	288.18097	0.097500384	288.18057	25304	19291	35359	21521	24026	41228	240858	29341	11044	16159	13041	14677	20991	239855	18512	20924	53368	25401	33100	20016	26506	9114	19931	15127	22172	193976	23475	19895	37758	18699	19711	22613	26687	20220	12998	26014	22998	16312	55918	5392	14151	26829	12673	558	513	21031	22692	716	17581	16858	24578	25363	20872	1652	20765	36370	16287	22289	12329	25161	23143	11015	41006	13064	115355	26542	52876	47097	0	18262	16705	16847	25203	24568	21544	17961	599	14106	21365	22086	18581	65589	915497	750251	29124	22181	26548	17279	28493	28660	23878	30613	34180	10542	10719	2254	29407	35148	27353	24883	36749	23898	12513	12988	21282	24539	22803	389	15184	24854	Lipid	0.35714287	1.7857143	0.071428575
16	C14 H25 O5 N1	288.18054	288.18094	0.08293071	288.18057	42936	35344	41902	46243	45477	46480	119677	53351	29669	15609	23843	35130	55644	108431	42813	70120	91088	60776	63286	28201	20002	18001	36867	44185	42823	22803	81316	34130	78899	56938	48162	53886	54089	58066	12827	75887	61323	31174	77006	9737	12322	51477	9870	961	1032	23365	24181	1103	61543	44210	44689	40538	45454	9742	31018	47374	34521	60414	15501	26264	53086	7119	41404	22632	112410	66025	72538	66670	13436	6767	9540	46685	62289	74396	73687	54350	985	37605	34198	60525	18424	20636	112195	115136	44924	93501	51157	47542	51410	35984	60274	46622	38486	19643	23657	1588	49796	57279	33900	42963	71039	74653	29454	31855	19070	44947	42943	1023	35320	35901	Lipid	0.35714287	1.7857143	0.071428575
14	C14 H25 O5 N1	288.18054	288.18094	0.07729914	288.18057	28763	28694	25020	30898	26671	32022	80562	37394	17284	7377	12524	17638	45302	53286	33136	46732	69308	45042	39730	23254	24134	9564	19933	25154	35791	50600	50768	15283	45180	42536	23841	40804	45779	31975	9897	50046	43142	20830	65939	11038	10448	31321	9036	450	541	16083	20535	768	36783	26071	24344	28288	24334	2298	33170	38172	14361	42758	5548	14578	32714	8664	29664	18681	44703	38377	47588	61851	0	10116	10634	23888	28323	34485	55543	35255	349	20571	26696	21111	19510	15867	99267	76597	40103	32747	39400	25496	25508	49491	28985	22433	31439	8603	13443	1218	23534	39778	21130	40780	61686	58877	20973	21580	0	28549	38250	490	24549	24727	Lipid	0.35714287	1.7857143	0.071428575
4	C13 H25 O4 N3	288.19177	288.19232	0.17544717	288.19183	23564	26359	24668	23965	3711	11751	2350	4799	1964	2565	13309	2101	4512	1619	2623	5966	4398	4287	4597	939	677	3634	1461	3412	2722	0	3615	176034	5650	2600	3169	5102	7025	3280	1483	4756	6174	2521	6465	0	551	5906	0	0	0	0	1135	0	6285	2286	24066	23480	3858	0	3422	1512	978	5321	422	0	3458	0	3959	2740	1165	6815	1986	5741	0	0	0	2117	4300	2496	4512	3519	0	1803	1046	956382	1007	0	706	315	2404	2450	2873	3169	3203	3309	1076576	541800	5130	110178	12807	0	17270	25456	2263	974	1795	6598	2401	3284	0	4019	1574	0	1505	5967	Peptide	0.30769232	1.9230769	0.23076923
6	C13 H25 O4 N3	288.19177	288.19226	0.13817868	288.19183	14885	17878	14062	15698	2475	4671	1606	12204	1800	3012	15215	3776	2672	1229	5566	5858	1913	2358	1843	2464	740	1789	2040	3079	11224	0	1398	71184	10465	10948	13910	7811	10402	8657	2730	9517	7036	3095	3107	0	549	4514	0	0	0	0	0	0	9966	3563	16717	14373	3153	0	2212	937	930	13284	0	516	8035	0	2312	961	770	2450	4866	2425	0	0	0	5812	24431	18392	2678	11616	0	12937	2095	143642	1213	508	474	0	2184	1528	1951	5240	15065	4649	904450	441345	18789	48832	9982	0	15409	15763	1103	1314	1483	6827	5764	0	0	6640	950	0	2983	2816	Peptide	0.30769232	1.9230769	0.23076923
8	C13 H25 O4 N3	288.19177	288.19223	0.18219283	288.19183	3972	2379	1804	3755	838	1889	1057	1051	0	1354	2119	813	0	0	1747	1716	1266	0	3527	1280	0	2193	1067	1186	2410	0	1303	6562	7653	1724	1483	20003	7053	13979	1193	12025	4708	975	1680	0	0	4399	0	0	0	0	0	0	7097	1150	2990	3997	1305	0	0	0	469	5176	0	0	0	0	0	0	0	1328	2802	1088	0	0	0	1688	4168	1752	1572	4060	0	2289	0	15392	0	0	0	0	0	0	1285	1407	3551	0	68059	18834	6178	3835	0	0	2746	2379	0	0	0	4940	1820	0	0	2503	0	0	820	0	Peptide	0.30769232	1.9230769	0.23076923
24	C18 H25 O2 N1	288.1958	288.1961	0.12970732	288.19583	4406	5601	4874	4444	2077	2833	4244	2242	1065	4755	6077	2575	0	2097	2664	6166	6554	1570	2063	6775	6360	3507	0	5342	0	29828	3957	6341	2957	5047	3069	4955	4712	2887	3710	7538	1764	1589	4374	7790	16000	3479	0	0	0	3817	10142	0	5793	5931	3590	3377	1089	0	0	0	977	3675	2101	7957	5293	6434	1522	0	1266	3143	2003	5354	19221	12387	27440	3456	3789	2241	3809	6905	0	2447	1974	8673	1743	6373	4140	11806	0	0	1731	3217	1093	11528	6251	4089	3897	7046	9317	0	4122	3657	0	0	0	5973	1829	3677	4446	6667	1328	0	4098	2834	Lipid	0.11111111	1.3888888	0.055555556
12	C18 H25 O2 N1	288.1958	288.19623	0.083666995	288.19583	14161	14713	15758	16603	1999	3801	13033	33334	1335	31560	20755	19743	0	3183	8598	20081	36426	2163	3310	58324	44957	0	6044	9608	5732	43946	18651	24162	23479	32000	36643	33155	33753	32117	32148	34722	35291	9355	9786	15378	0	5921	0	0	0	4918	9330	0	26350	42454	15861	11545	5407	0	0	0	2931	13918	0	0	0	2031	0	1387	2527	2296	7503	134336	24169	48758	45873	33984	37479	67453	31506	27519	0	16729	2541	0	2698	0	0	14163	0	0	9927	5450	6319	21344	16995	0	15843	5905	24842	0	11524	14297	1554	0	0	32300	15156	4980	0	18712	1079	0	3168	0	Lipid	0.11111111	1.3888888	0.055555556
4	C18 H25 O2 N1	288.1958	288.19632	0.019827249	288.1958	27708	29377	34350	31083	621	3688	36783	89404	560	24526	11694	34961	0	0	38995	72906	64131	2578	5400	27713	28384	34498	22966	89398	34247	4759	51017	9760	51606	35576	42370	55828	39196	28660	20972	57101	37953	41010	58206	39010	7687	10893	0	0	0	36960	49732	0	64318	82873	31868	25926	6175	0	935	0	4686	49945	0	0	62755	17351	401	1291	5146	2066	8826	116362	2940	5071	8108	37707	32257	46507	88767	36160	0	38148	22313	48340	25275	2899	1622	30354	0	2700	15116	8092	12960	54638	67182	2678	73754	76091	203265	0	29268	32100	0	0	0	39121	29809	24313	23088	44652	0	0	25230	0	Lipid	0.11111111	1.3888888	0.055555556
8	C18 H25 O2 N1	288.1958	288.19626	0.042253718	288.19583	96562	105998	91930	93156	3667	11660	84932	125626	1506	46442	34565	50515	0	2560	48160	331855	70523	6217	15848	73561	69340	119615	42938	346182	140671	30936	117452	37483	91907	75376	71454	90706	84083	76269	61541	98175	89492	46597	62964	37526	1840	21218	0	0	0	49818	18758	0	105348	88263	92254	98788	10498	0	2553	523	13253	248567	0	0	339068	7713	1033	2858	16440	8706	24438	124729	16960	49464	38023	101336	77950	58896	82992	88721	0	59966	82287	55468	47486	0	888	27979	910	8761	84661	33690	27450	1312506	50419	0	1527184	25212	55817	0	89647	104065	2884	0	0	81533	54281	26038	9129	390212	0	0	121891	1101	Lipid	0.11111111	1.3888888	0.055555556
6	C18 H25 O2 N1	288.1958	288.19626	0.043344326	288.19583	32741	32661	28047	32775	1372	6854	45097	78992	748	37342	24217	38671	682	1810	33891	70927	44708	5232	8508	49755	52370	11537	26705	70375	28020	16450	61235	19687	66667	60269	53207	71428	66157	69980	33831	78939	65380	34233	53135	21977	3740	16906	0	0	0	16357	16150	0	81945	70147	36539	32905	8387	0	1423	0	8113	55169	0	0	59635	9203	656	1976	7008	4028	20464	76557	7724	14826	15606	68597	60137	78477	61877	59172	0	40856	20625	17447	26334	660	1034	20755	0	5426	19030	19390	19677	56690	29372	1040	60989	14488	36740	0	30427	27211	1331	0	0	70617	31970	22981	0	53405	0	0	18420	1320	Lipid	0.11111111	1.3888888	0.055555556
22	C18 H25 O2 N1	288.1958	288.19614	0.15027744	288.19586	7562	5892	5936	4741	2116	2765	3318	6217	1206	7691	14451	1860	0	0	3419	12480	7960	0	0	8672	15917	7232	1567	6332	2728	50306	1879	14779	4633	4764	3689	5069	3172	6723	4937	6735	2813	2441	6487	14451	33891	3101	0	0	0	12429	25834	0	8316	7862	5328	6052	2488	441	0	1237	3084	8184	4177	15011	6199	10785	0	1043	1435	3645	4492	8836	38951	25986	50595	4327	4480	4488	5138	6333	971	2392	3255	15333	2550	11452	5129	14266	0	0	5497	4581	2372	18987	11081	13470	8692	10990	13565	0	7320	5966	2310	0	0	7263	2979	7104	10357	5216	2052	0	3524	0	Lipid	0.11111111	1.3888888	0.055555556
14	C18 H25 O2 N1	288.1958	288.1962	0.107450545	288.19583	4915	5907	5956	4466	0	2778	0	6693	0	18347	15369	2979	0	2196	2327	5329	2803	0	2599	27080	23459	0	2680	4021	3234	29086	4607	12598	3610	5937	6838	14485	21766	7377	20699	7060	18572	2716	2983	9132	3754	3129	0	0	0	2609	4754	0	9163	4666	4800	7862	2018	227	0	0	1260	6889	0	0	0	1497	0	0	1263	0	3993	4891	0	27128	32129	10871	11292	11303	3774	11794	0	3954	0	0	0	0	0	8258	0	0	2559	3300	1849	9702	10806	0	11486	3887	14487	0	7482	5282	1361	0	0	12615	4190	0	0	5124	0	0	3018	1507	Lipid	0.11111111	1.3888888	0.055555556
18	C18 H25 O2 N1	288.1958	288.1961	0.007951347	288.1958	2690	2063	2868	2672	0	0	1751	2804	0	3718	3316	1242	0	1230	0	4892	4757	0	0	4541	4640	1971	0	4884	0	12447	2195	4294	0	2044	3459	2313	3488	0	4257	2001	3032	1475	4233	1725	9333	2828	0	0	0	2049	3342	0	1944	3827	1678	2261	0	467	0	0	0	3211	0	2514	3167	2709	1700	0	0	0	0	6052	13421	13071	20036	1595	1703	1790	6659	0	0	1294	0	0	0	1199	0	3897	0	0	0	1510	0	11944	5211	2044	5394	0	2828	0	1548	2311	0	0	0	1817	0	0	0	2473	0	0	1497	0	Lipid	0.11111111	1.3888888	0.055555556
2	C18 H25 O2 N1	288.1958	288.19632	0.026320707	288.1958	71769	68257	61545	61299	12040	63708	11450	44032	7469	14435	53551	12064	13218	8806	16210	27794	16772	13023	11161	11451	9495	28417	10326	44504	14023	799	10662	434039	27268	19922	25196	23277	25894	20548	7866	26855	24199	10524	18174	23748	9507	12918	0	0	0	14799	16724	0	30213	34677	63763	67976	8417	0	6388	3424	4372	31139	629	498	21476	7999	13031	4559	4776	18670	9525	20518	992	2493	1774	22740	22131	26240	16768	20157	0	15754	9487	1484701	8041	1565	2484	13816	4971	6631	11043	11324	13019	28110	1858265	1148594	33082	320759	59082	0	69450	68066	5638	4142	5808	21560	11956	20884	7100	23438	4252	0	10305	17504	Lipid	0.11111111	1.3888888	0.055555556
10	C18 H25 O2 N1	288.1958	288.19626	0.10097388	288.19583	25378	21393	22137	26840	3036	9324	53214	41882	1102	35967	25609	23545	0	6109	16557	40038	21295	3216	8667	57168	55628	3619	15480	34908	16128	49586	114840	30039	27865	32326	31068	37547	44301	34298	38296	32007	39678	16895	16234	33270	1913	8939	0	0	0	12027	11788	0	38867	26055	21694	22855	5273	0	1432	0	3309	35487	0	0	41257	5023	1076	1464	3533	4190	10956	38062	27485	42610	39768	37736	34668	36966	30877	33262	0	26626	10399	13953	12174	0	0	24919	0	1419	9649	9240	11474	50020	30106	0	41551	15063	46556	0	24213	24676	2623	0	0	38167	25371	19534	0	27656	846	0	14699	0	Lipid	0.11111111	1.3888888	0.055555556
20	C18 H25 O2 N1	288.1958	288.1961	0.12736893	288.19583	2999	4060	5843	4269	1522	3474	1692	2117	0	6151	9019	1841	0	1411	2936	4027	6443	0	1872	10900	12079	5037	0	3668	0	25367	3240	8381	2436	4295	2183	3112	4297	4677	5779	0	3541	1694	8296	9676	22979	2421	0	0	0	6412	11032	0	8044	6988	5196	4299	2118	393	0	0	1746	4917	2089	11930	2507	4564	0	0	1295	0	1861	6499	20027	21295	33249	1880	3245	1847	5219	6644	0	1707	0	9048	0	4793	2964	8134	0	0	4932	3723	1085	12040	9618	6027	8729	5902	5864	0	7591	4317	0	0	1643	3300	2038	3992	3871	3202	2668	0	4015	1544	Lipid	0.11111111	1.3888888	0.055555556
0	C12 H25 O3 N5	288.203	288.20346	0.025094323	288.20303	8618	7866	8396	7012	0	344227	1353	0	0	3132	32321	0	0	0	1783	0	4344	0	0	0	0	0	0	0	5570	0	0	690192	3575	0	3804	2836	12894	7761	0	0	6919	0	2038	0	0	33210	0	0	0	0	0	0	1983	0	7170	6346	939	428	0	0	0	12821	0	0	0	0	0	0	1955	0	0	0	0	0	0	1691	2823	0	0	0	0	2116	0	1415450	0	0	0	0	0	1727	0	1938	6218	0	580771	133225	2921	12747	0	0	6914	6635	0	0	0	2638	4073	0	0	4724	0	0	0	0	Peptide	0.25	2.0833333	0.41666666
2	C12 H25 O3 N5	288.203	288.20346	0.088479854	288.20303	11868	11996	9009	10573	408	43393	0	0	0	1209	19745	320	0	784	0	0	6532	966	0	0	0	0	635	0	0	0	0	15147	0	0	0	812	4542	1173	970	0	2667	694	11095	0	0	4837	0	0	0	0	470	0	567	0	8007	9207	1648	0	0	864	2881	3755	0	0	0	0	0	0	2532	0	0	5806	0	0	424	0	0	0	0	0	0	388	824	89935	261	0	0	0	0	464	1618	6656	1743	3599	32378	22037	954	190247	0	0	10469	6476	7082	0	231	1223	1629	0	0	572	246	0	1023	0	Peptide	0.25	2.0833333	0.41666666
24	C15 H29 O4 N1	288.21695	288.21725	0.06623695	288.21695	3193	2840	2978	5117	12940	3070	10587	0	0	1938	4624	0	0	10044	0	2280	1515	2846	0	0	6162	2712	0	2919	1276	1897	6442	25308	2085	1369	0	9172	0	5753	0	5212	0	1751	1535	1902	4979	2027	7729	0	0	0	2948	0	0	0	2984	3013	1556	0	1295	0	2220	1438	3753	2474	2978	2423	2792	1028	6929	6676	14440	0	0	0	0	1273	1286	2092	1588	2065	0	0	1082	44229	0	6031	2963	7026	0	7385	1395	15309	17285	0	83152	48768	4789	6502	0	0	1829	4726	2175	0	1946	0	0	3178	23362	1671	2124	0	1239	0	Lipid	0.26666668	1.9333333	0.06666667
4	C15 H29 O4 N1	288.21695	288.21744	0.058612034	288.21695	5030	6578	6058	5715	2355	3433	4888	3536	1240	2185	0	1566	3772	3942	3234	4190	2768	4115	4377	2520	2091	5164	1601	2852	5036	2420	5299	0	3800	2913	4063	4933	7209	3648	4141	4128	6396	2482	3219	0	1141	3400	0	0	0	1543	1456	0	6108	3031	6202	5656	3341	0	2558	785	5223	8061	0	0	6125	0	2704	1573	1322	7202	19797	7544	0	3592	2678	3076	2897	3197	16053	2874	0	2119	3477	12367	1155	942	861	6288	2271	1916	12884	2774	4146	112529	14864	5826	6916	2107	3635	0	6011	5574	726	966	1401	5467	2493	1551	0	3973	1920	0	4225	2544	Lipid	0.26666668	1.9333333	0.06666667
2	C15 H29 O4 N1	288.21695	288.21747	0.054285113	288.21695	4241	3933	3915	3333	1482	0	5513	4562	1125	4319	1464	1113	605	3355	5607	4426	2467	1435	2800	5496	2378	3440	1737	1685	4475	3349	7810	1953	3850	3085	3110	3838	4625	2542	5402	2831	4743	5417	2453	1670	994	6807	3342	0	0	1264	1968	0	6228	4090	4434	4397	3641	0	1051	481	2337	4966	679	621	4997	729	1263	652	2639	2829	7299	3879	3640	4730	5797	1617	2366	3685	3622	2123	0	1978	2917	0	861	0	1072	1628	462	2164	13963	1987	2694	25900	11001	7265	6038	1723	3919	0	4389	5100	600	306	473	4842	1979	4247	854	2573	745	0	4341	567	Lipid	0.26666668	1.9333333	0.06666667
26	C19 H29 O1 N1	288.23218	288.23245	0.27181828	288.23227	2185	0	2027	3358	0	0	3968	0	0	0	0	0	0	0	0	0	0	135684	94701	0	0	0	0	0	0	0	5600	0	0	0	0	0	16761	0	0	0	11439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2428	0	0	0	0	1797	0	0	0	0	0	2912	0	0	2711	0	0	0	0	0	0	0	0	0	0	0	2895	0	0	0	0	0	0	0	34592	14236	10457	9061	0	0	0	0	0	0	3114	0	0	0	0	9792	0	0	0	0	0	0	14036	0	Lipid	0.05263158	1.5263158	0.05263158
22	C19 H29 O1 N1	288.23218	288.2325	0.17310487	288.23224	0	1832	0	0	0	0	2797	1657	0	0	0	1039	0	0	0	6135	2010	4338	1758	0	0	0	0	0	4515	0	3538	0	1262	4530	2607	0	2718	1646	0	1363	0	0	3862	0	0	0	0	0	0	0	0	0	0	1584	0	0	0	0	0	0	0	4665	0	0	3804	0	0	0	0	0	0	1798	0	0	0	2490	0	0	4175	1682	0	1051	1884	0	0	0	0	0	0	0	19111	14410	0	42755	0	0	1919	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5039	0	Lipid	0.05263158	1.5263158	0.05263158
24	C19 H29 O1 N1	288.23218	288.23242	0.09261971	288.2322	32068	31664	26886	28454	0	3773	50258	0	3751	0	1139	8007	0	0	4009	3652	84595	778969	711264	0	0	0	2078	0	38589	0	55638	2511	3928	2710	2223	5362	116942	7363	0	5903	141554	3536	96621	0	0	10230	0	0	0	0	0	0	3086	1227	29508	28510	45450	0	20545	0	38481	8669	0	941	3206	0	0	72901	12486	2759	20563	79981	0	0	0	853	0	0	8391	5660	0	4045	5361	0	1951	829	0	0	0	57539	45678	620886	95409	23338	1362	0	0	0	0	0	30691	25173	2530	0	2003	182955	4149	0	0	3667	0	0	40514	6406	Lipid	0.05263158	1.5263158	0.05263158
22	C16 H33 O3 N1	288.25333	288.25366	0.09995875	288.25336	6082	4255	3374	4141	3373	22706	0	1270	0	14138	59322	0	3289	6324	0	4415	3496	2521	2666	0	0	0	0	2072	1814	0	9875	54135	2267	6259	2921	8801	11156	2286	2239	5222	1778	5326	0	2071	5952	32312	0	0	815	7141	13246	0	18606	28292	2399	4318	0	9136	0	0	0	0	0	64936	2363	0	7271	0	97192	11066	4364	12161	0	0	0	3249	0	0	3491	14202	610	984	0	15398	0	1497	2558	26860	0	1864	0	18897	3648	6895	15514	0	11032	1758	38021	0	5718	4777	0	0	0	1410	0	0	0	0	0	0	11480	30802	Lipid	0.1875	2.0625	0.0625
24	C16 H33 O3 N1	288.25333	288.25366	0.11213316	288.25336	361398	343858	314290	352168	230747	0	116267	18608	26758	15393	53006	52214	87371	126811	153021	164493	83161	0	134040	13505	24834	0	23071	52548	662800	1211818	50709	81711	121590	29487	33214	90030	22318	37058	15369	26914	38365	164825	162227	62349	37040	242138	293995	40928	36699	28461	105565	55219	64576	66144	326373	353234	179119	53940	59315	23155	161670	17166	65753	91931	21765	56790	17090	27537	2915550	123222	198126	162959	47766	36390	25707	27857	13923	35673	82841	34372	45390	43254	193537	116466	131792	696122	1271404	521052	437909	29785591	236175	451890	146661	106764	39032	27767	15273	71503	159143	47411	341616	371214	44679	170489	190371	26785	57675	38650	75300	30614	553669	52840	3853165	23104	Lipid	0.1875	2.0625	0.0625
26	C16 H33 O3 N1	288.25333	288.25357	0.08303157	288.25336	13032	9019	10271	11480	6275	13432	8710	0	6981	3404	8697	10206	0	23036	10183	0	0	0	6392	0	0	7411	4986	4776	7214	16417	7828	10018	0	0	6285	5589	8937	6750	3873	0	3085	6913	7171	5009	7312	11497	17696	18298	18096	6820	7507	21041	5045	5890	10623	11867	5798	16338	0	0	13650	3273	5155	10670	5164	7255	6280	7082	66094	5712	9242	7293	0	4419	4714	6568	8818	0	0	8525	18516	7280	8246	18091	9328	22632	21541	14322	7210	213384	5318	12332	11213	4787	11125	6373	0	7838	7738	16804	11580	8059	126238	6755	0	0	8394	0	0	6243	7374	22033	52165	6579	Lipid	0.1875	2.0625	0.0625
20	C16 H33 O3 N1	288.25333	288.25375	0.0258605	288.25333	0	0	0	0	0	2061	0	0	0	0	0	0	0	0	1727	1781	0	0	0	0	0	0	0	0	28297	63551	0	5082	5332	1526	0	0	0	0	0	2050	0	0	0	0	0	5751	591	807	794	0	0	0	0	2511	0	0	0	2184	0	0	0	0	0	0	0	0	0	0	9534	0	1738	0	0	0	0	0	0	0	0	0	705	0	0	0	0	0	0	0	0	96332	0	0	0	0	2880	0	0	0	0	703	0	0	0	0	0	0	0	0	0	0	0	938	0	0	Lipid	0.1875	2.0625	0.0625
12	C16 H33 O3 N1	288.25333	288.2535	0.10983023	288.25336	0	0	0	0	0	0	0	1611	0	0	0	0	0	4606	0	3352	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	813	6505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1910	0	0	882	0	0	0	0	0	0	0	0	0	0	5231	0	0	27503	0	0	0	0	0	0	0	0	1742	0	0	0	0	0	0	1991	0	0	0	0	Lipid	0.1875	2.0625	0.0625
22	C17 H37 O2 N1	288.2897	288.29004	0.12559202	288.28973	38778	74300	42643	46029	55983	35496	77898	31369	59720	17893	38553	43648	23126	54229	48553	31889	29391	25721	26292	22863	26652	46332	36744	42685	93868	450461	131915	168847	34647	34049	29925	32037	39919	29703	33138	32797	35075	38472	23693	24370	22601	37515	65992	81965	77547	25083	35757	101188	34136	41211	41531	78743	35466	103876	25164	31013	41898	27907	34042	36965	27497	30346	46745	27496	64866	42129	30878	24680	41131	19954	20694	25719	31631	40782	22474	40305	65229	34038	27698	33239	41023	29447	30427	6073478	31957	41482	27208	40641	39265	39915	21045	15308	26487	27007	28015	91131	42941	45608	54218	61785	44088	34387	41881	30624	78401	32751	23523	75599	31427	46804	Lipid	0.11764706	2.1764705	0.05882353
26	C17 H37 O2 N1	288.2897	288.2895	0.06761491	288.28973	0	0	0	0	0	0	3723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6107	2123	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4666	43982	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.11764706	2.1764705	0.05882353
20	C17 H37 O2 N1	288.2897	288.29007	0.1470501	288.28973	299005	247487	350091	297152	26315	73546	1414267	90013	27780	44902	74137	83509	19605	159472	108998	78744	60949	46752	29998	46375	65581	16941	70921	118651	215127	3977955	1945614	848739	87067	77811	66691	82477	74617	84694	25870	71488	176070	95472	49332	50246	43108	88551	112120	214044	144208	49363	68227	318961	134119	112924	288632	239738	77080	346933	43330	62689	82384	53015	62903	67096	53857	58876	8976	40521	330047	19456	71886	56435	99448	46633	44863	76003	71578	92898	96845	85178	138590	100475	60766	86251	48455	0	62993	69489403	60264	82049	59081	77820	83025	41909	56581	42159	90286	58078	57201	301167	314399	335482	59892	33942	39869	104054	88266	77732	278529	106710	50800	229373	85359	13846	Lipid	0.11764706	2.1764705	0.05882353
28	C17 H37 O2 N1	288.2897	288.2897	0.08072959	288.28973	1033	1104	1079	988	1075	1015	2449	2361	836	1106	912	0	0	0	0	0	0	0	0	0	0	1919	0	0	0	3424	1205	1781	0	0	1530	1118	1117	0	0	0	1216	1173	0	1312	0	0	1887	1697	0	0	0	2547	2095	0	0	1443	1647	0	0	0	973	949	0	1028	0	1292	0	1006	1253	0	0	0	0	0	0	0	0	0	0	1210	0	1310	0	0	1104	967	2903	32191	0	0	0	913	1480	973	0	765	0	1022	0	2153	1569	0	1397	0	0	0	0	0	0	0	0	2158	1410	0	Lipid	0.11764706	2.1764705	0.05882353
24	C17 H37 O2 N1	288.2897	288.28992	0.017617919	288.2897	1687	2070	1019	3352	0	1445	38790	1660	1157	0	1368	2701	0	2131	2056	0	1306	0	0	0	0	1413	1292	0	1895	9351	21434	2872	1180	0	1871	0	1791	1128	1433	2130	1155	1515	1179	2739	1219	1840	3620	4366	6059	1110	0	6262	3563	0	1670	1323	2463	7824	1177	1889	2399	0	1514	2341	0	1221	0	0	3175	0	0	1715	0	0	0	1306	0	1919	1560	2371	6711	1439	0	1272	1532	1984	33434	183140	0	0	0	1310	2114	0	0	0	0	0	2125	5074	2677	2151	1097	0	0	0	1699	1506	0	1314	1346	4199	1793	2475	Lipid	0.11764706	2.1764705	0.05882353
22	C14 H8 O7	289.03427	289.0347	0.19957826	289.03433	0	2045	2533	2435	13226	4594	0	0	9468	0	0	1101	14756	8398	2818	2849	0	12982	8671	0	0	1563	5082	1962	1982	0	0	0	0	0	0	0	1676	0	0	0	0	1668	1533	0	0	1099	0	0	1244	0	0	0	1306	0	2019	3680	6742	738	7140	8133	6106	0	1110	0	0	0	17082	11824	3443	17336	2671	1483	0	0	0	0	0	0	0	0	1144	0	8820	0	6043	0	0	0	15342	5416	6652	5257	2461	2280	0	0	0	1334	0	0	1714	2711	5070	15097	13131	0	0	0	0	1726	8423	0	3404	21004	Phytochemical	0.5	0.5714286	0.0
14	C14 H8 O7	289.03427	289.03473	0.19656564	289.03433	13744	14005	11682	11738	34602	19199	7469	3772	34273	4145	3083	9484	50532	23810	10837	5634	7692	56480	46841	3352	4757	6731	15471	8015	5260	0	4511	0	2415	2608	3494	0	11914	3829	9414	4774	12004	7983	5797	2905	4615	13978	0	0	536	1699	0	1021	3863	1945	11377	8763	24764	266	29790	29034	19734	11891	0	0	0	0	57584	36574	14944	48656	19703	6760	0	0	0	1757	1526	1672	4044	2279	341	8360	22682	0	15491	2420	1753	0	39346	17081	21966	20614	29640	10700	0	4447	7045	10875	5267	481	11521	8897	16882	42403	33244	12030	10365	0	0	8172	22512	0	5363	47533	Phytochemical	0.5	0.5714286	0.0
18	C14 H8 O7	289.03427	289.03464	0.17282939	289.03433	5760	8058	7239	7017	22198	13493	4829	2158	13602	3606	1566	4135	38779	19436	7214	3392	1785	33909	27261	0	0	6559	9122	2912	3992	0	4246	0	0	1517	1518	0	4313	0	0	0	6001	3992	3724	0	0	7459	1295	453	784	0	1441	1384	3170	0	7430	6057	15845	679	14574	18504	11208	3145	1351	0	2881	0	41466	17861	7902	33027	8395	2273	0	0	0	1370	0	0	1261	0	773	2840	13619	2926	11116	1238	0	0	27719	14815	15004	14783	14659	2828	0	3028	3313	3155	0	662	5967	4435	11749	25006	25787	4407	5551	0	0	2827	13029	625	3581	35389	Phytochemical	0.5	0.5714286	0.0
10	C14 H8 O7	289.03427	289.03476	0.22077426	289.03433	2771	4420	2810	3971	10300	3256	844	0	8877	0	2748	1785	18432	4162	1536	2495	1340	13920	13933	0	2393	4632	3247	0	0	0	1075	0	0	0	0	0	1688	0	2960	991	2369	1573	1509	0	1228	3463	0	0	279	0	0	0	0	0	3252	3035	6356	0	12846	11475	5370	1153	0	0	0	0	20538	11505	4050	15537	3719	2260	0	0	0	0	0	0	0	0	0	1084	5216	0	3129	619	0	0	14073	5217	4314	5959	5373	2795	0	0	0	3078	2595	0	3098	1809	9869	14643	15390	3438	1870	0	0	1391	10135	0	1153	22173	Phytochemical	0.5	0.5714286	0.0
16	C14 H8 O7	289.03427	289.03464	0.19545165	289.03433	11304	7805	8925	9439	30167	21536	6437	2041	28485	0	1261	5407	41737	18881	8730	3989	2527	44970	37142	0	0	7403	13274	4191	3262	0	5016	0	1910	3286	3688	0	9275	2573	1602	1724	8395	5232	3342	0	0	11930	795	416	927	1355	1637	1555	1841	2237	8337	11178	24433	423	23729	19776	14182	8753	1652	1826	0	0	48135	21399	14129	43851	19424	3684	0	0	0	1781	0	0	3097	2052	642	5960	20605	5150	10935	2082	1399	0	32137	20590	16457	17792	16318	0	5734	3182	0	5290	6959	769	11418	8075	19109	36701	34392	10320	3383	0	0	0	20563	639	5201	55418	Phytochemical	0.5	0.5714286	0.0
12	C14 H8 O7	289.03427	289.03476	0.24799637	289.03436	9596	12371	5971	7724	26429	13370	0	2992	25098	2634	2875	6365	28138	11599	3889	4946	2492	41660	34886	3400	1982	10394	9316	2419	0	0	3943	0	2223	1394	1905	2210	9319	1761	3828	1924	8005	4889	4094	0	0	11620	340	0	380	0	0	505	3825	2015	8702	12876	17711	241	26100	17493	12097	3766	0	0	0	0	46325	24460	10486	31937	13609	6313	0	0	0	1671	2336	0	5507	3018	322	2897	8642	0	6217	1830	0	0	25079	13715	8844	14742	17337	9750	0	2983	2972	5409	5312	0	9045	9558	17319	28040	25618	9799	5382	0	0	6214	17555	0	2836	41972	Phytochemical	0.5	0.5714286	0.0
20	C14 H8 O7	289.03427	289.0346	0.21315512	289.03433	2772	5701	0	3924	15147	8759	3113	0	10712	0	0	3093	22526	17073	4087	0	0	20736	15063	0	0	2347	5597	2304	2746	0	2981	0	1438	0	1549	0	1679	0	2290	0	2106	4513	2408	0	0	5249	1240	971	880	1755	0	2299	1839	0	5225	8352	8894	552	13562	12897	6742	3296	1674	0	1858	0	29320	11742	5838	21756	2754	2073	0	0	0	0	0	0	0	0	833	2875	13311	0	14457	1510	0	0	26933	12219	12194	8198	11615	3510	2214	0	0	1230	2548	1275	5772	2201	11094	19662	22517	3286	2893	0	1255	0	9507	824	2877	32736	Phytochemical	0.5	0.5714286	0.0
2	C8 H8 O8 N4	289.0415	289.04205	0.4556637	289.04163	0	717	0	890	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4242	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	630	2141	0	0	0	0	0	0	0	0	0	0	630	2298	762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2911	0	0	0	367	0	0	0	26023	17094	1768	2175	4625	0	716	0	0	0	0	0	0	1880	1860	585	0	0	1053	0	Unclassified	1.0	1.0	0.5
10	C10 H12 O6 N2 S1	289.0489	289.04935	0.15312807	289.04892	1626	4341	3211	3686	2059	8731	1009	16361	1010	0	0	4885	1095	0	1070	10179	3193	2824	1604	0	0	0	1186	6747	0	0	2739	0	5088	4507	6869	4251	3662	17140	0	3597	4044	1885	4685	0	0	1962	0	0	0	0	0	0	14623	12688	2080	2196	1462	0	0	0	0	4503	0	0	19438	0	0	0	0	2469	2221	3811	0	0	0	39877	5767	3495	11553	2572	0	3431	0	0	812	0	0	0	0	0	1176	7735	3541	4083	0	0	3462	0	0	0	2522	2366	0	0	0	5837	2793	0	0	5001	719	0	0	1259	Peptide	0.6	1.2	0.2
14	C11 H12 O9	289.05542	289.05576	-0.5661057	289.05524	0	0	0	1738	8867	2977	0	0	3203	0	0	0	4248	0	0	0	0	3137	3274	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2528	0	0	0	0	0	0	0	0	0	0	6248	0	1752	2606	1618	0	0	0	0	0	7990	4250	2036	1927	1016	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47787	4720	0	0	0	0	0	0	0	0	0	0	0	0	9561	2141	3791	0	0	0	0	0	92439	0	0	9362	Phytochemical	0.8181818	1.0909091	0.0
10	C11 H12 O9	289.05542	289.05594	0.19311172	289.05545	0	1972	0	1512	7673	4045	0	0	9370	0	0	970	17787	3284	1042	0	0	10041	9861	0	0	0	994	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2207	0	0	0	0	0	0	0	0	1216	0	5942	0	7739	8334	2592	0	0	0	0	0	17767	7441	1351	13592	1557	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8375	1233	1080	3190	1546	0	0	0	0	0	0	0	1743	1587	5383	10710	9657	0	0	0	0	0	5603	0	0	22248	Phytochemical	0.8181818	1.0909091	0.0
20	C15 H12 O6	289.07068	289.07104	0.16998632	289.0707	53821	47231	49234	39722	89448	60401	25904	24395	73852	50356	34068	25583	140157	64685	36531	32896	25417	126734	115919	39973	37898	60520	49246	33710	38141	33394	24721	33763	27906	23180	25788	22791	46239	26045	77683	20729	42025	25290	27477	39543	40773	41291	7407	4656	6165	37130	37956	8930	28170	19758	48368	48134	65172	5303	76121	62811	43052	39129	21863	18269	31076	29986	117339	70288	39671	112517	47531	25948	34006	30962	50944	23662	18056	10221	19015	22657	5438	23827	64584	53094	42422	34071	22540	28371	85845	45614	59329	55600	50853	36391	45459	44952	47735	53720	52968	8596	45736	43528	59362	88171	91878	41716	26690	31082	32012	35638	55350	5681	38624	132221	Phytochemical	0.4	0.8	0.0
8	C15 H12 O6	289.07068	289.07117	0.28970897	289.07074	40576	48847	31934	43482	44916	25681	15084	21486	63890	63399	59540	20172	65659	22097	21900	29525	29339	52457	68314	49529	59284	66255	30553	28494	11777	27591	18112	30873	15070	14073	17880	20997	28693	14003	86928	16661	26945	22187	29324	41578	64231	28512	2862	1562	2736	27026	43555	2306	22520	17832	37407	41190	35938	1766	68186	52325	32005	24684	21179	30810	30150	31958	82000	67253	29600	60740	28793	33809	51645	41496	77312	15533	18306	14298	17840	23286	2459	17780	44229	31391	31135	23885	16463	19069	57814	27215	35182	30314	35389	39724	15029	24238	33831	66411	55483	3031	37100	41816	54347	81490	66869	30327	19674	28868	29594	24074	51268	1650	19043	69523	Phytochemical	0.4	0.8	0.0
22	C15 H12 O6	289.07068	289.071	0.14903553	289.0707	25048	29333	14895	24743	46678	29895	11797	10709	42369	27243	18034	10952	48882	35244	16848	9827	12226	57038	49600	19304	22957	37157	23815	17272	16516	16092	9432	12852	10358	8074	9758	8547	20944	9043	30513	7982	15771	15014	8005	18088	19418	19345	5540	5076	5806	17786	23286	6338	12570	5031	24628	24870	29649	5232	45875	36884	22048	18378	6873	8807	17755	11095	58773	43934	19686	46781	20084	12093	10493	18976	18421	10996	5645	6365	4216	10456	5128	13071	36178	25577	29711	16610	6697	8651	51756	30950	35332	22643	25857	17784	19880	19524	14953	34454	30034	5012	23643	25163	33990	54095	47428	15013	11344	14860	15315	16378	34474	5786	18986	63716	Phytochemical	0.4	0.8	0.0
26	C15 H12 O6	289.07068	289.07098	0.113299206	289.0707	9844	9224	6191	10154	16500	11669	4765	0	13911	7387	7006	6604	27340	14595	6753	6842	9226	24157	19148	7255	11729	14056	10327	8300	5652	5090	3258	5499	0	0	5095	0	6390	2815	14001	0	5902	5192	7046	5049	9021	5826	0	0	0	5483	8161	0	5586	0	8810	9320	12148	0	15624	15720	9921	6675	5047	4780	8343	3350	23340	16436	4806	16092	7115	7236	0	9500	11694	3371	3422	0	0	5758	0	4367	15699	9606	9934	8363	4725	2831	15791	9903	11021	8446	8309	5479	7073	6205	12649	9685	16977	0	9837	9653	8343	19180	18388	6694	7103	0	0	7549	9217	0	7141	22693	Phytochemical	0.4	0.8	0.0
24	C15 H12 O6	289.07068	289.07098	0.15273838	289.0707	12349	16427	12092	14738	24177	15928	5121	4624	20866	14063	8295	7350	35921	17346	9742	6610	5532	32356	28727	9204	10826	20558	14312	11305	9211	7439	3295	6531	2869	7240	4629	7271	9906	4965	13882	4911	13814	7689	6372	10437	11851	9040	4792	2246	5994	9206	14921	5145	5432	4877	15632	17386	15344	0	29621	23462	11613	9957	3022	5123	12035	5211	28624	22406	9366	29530	11561	8217	10977	11789	15759	5142	5904	4062	3717	6423	0	8247	21115	20359	19080	9416	4985	5478	30143	15004	16090	12831	12786	13074	8408	10161	10490	14936	13128	5068	13387	12831	15805	23342	24001	9940	11676	9311	10843	9646	15432	3249	9766	36420	Phytochemical	0.4	0.8	0.0
14	C14 H12 O5 N2	289.0819	289.08234	0.20311095	289.08197	42651	46073	41047	43544	31110	28807	37163	79835	24767	48058	41398	48063	36173	19802	119891	64844	150440	41611	57272	33365	46359	93415	68444	57550	40565	28561	42308	27632	40572	33658	29773	29643	47782	27931	50061	32915	43527	68129	113997	58671	95653	32027	0	463	384	32025	45651	923	34213	76045	46704	39195	31412	1009	29705	20516	26499	52017	20033	42366	56421	38403	39282	35069	33157	40319	38266	83017	25315	40879	59632	29040	28656	17252	40232	24464	465	42891	67986	85736	49207	33859	23619	30283	26861	30051	83139	57430	41437	211425	47100	46222	109834	66079	65723	954	51971	41163	19776	25280	28067	43749	28995	33648	0	62829	15119	672	65160	38823	Unclassified	0.35714287	0.85714287	0.14285715
10	C14 H12 O5 N2	289.0819	289.08237	0.22529101	289.08197	71786	63002	53916	57140	47523	36964	41368	65375	41244	71001	60002	44890	53532	23691	38925	84030	84102	61187	67948	41988	66598	93066	54521	89834	44270	26003	39524	36263	41328	46159	44942	44168	67138	40477	71938	37274	66567	43430	93686	56988	100085	47753	1385	0	327	40300	52902	0	60332	53856	68417	69823	39979	804	52821	29916	29971	88113	24177	44272	75190	37789	54487	45935	27553	67033	46535	111998	61187	51094	79702	49878	36500	19666	52111	40812	0	36733	72494	65100	64584	34575	23923	25580	47123	29093	77553	59074	51476	219304	39827	47627	163732	79347	86081	819	60166	60055	34096	39266	42252	67833	40071	38648	26161	95214	31458	649	56975	62632	Unclassified	0.35714287	0.85714287	0.14285715
20	C14 H12 O5 N2	289.0819	289.08228	0.16150767	289.08194	5316	5488	0	5322	2275	1993	3093	4667	2138	2339	4521	4698	3022	3861	4391	6893	11077	2480	3538	0	0	8365	5144	5633	5159	0	3470	1830	0	3386	3940	4330	7469	3333	0	2340	6122	4725	5824	2388	7401	3369	904	0	682	2400	3222	1011	3670	0	5776	3342	1297	820	1910	1685	2507	5336	1668	4058	5841	2277	1996	3214	1319	2605	2075	8776	2928	2818	6016	4866	3581	2160	4740	3096	591	3354	8012	9533	8080	1253	2020	0	1930	0	10571	5411	3865	31640	4434	4391	16244	5158	3117	594	0	3376	0	1728	1683	4113	5612	3134	0	10149	1615	659	5953	3629	Unclassified	0.35714287	0.85714287	0.14285715
12	C14 H12 O5 N2	289.0819	289.08234	0.19561008	289.08194	91413	93702	97502	81335	56289	43731	121305	98195	42968	50162	47010	174575	47806	20842	114316	134921	546608	65998	77333	45726	62321	115746	171737	151739	43176	29207	121841	26788	109277	94084	119797	88569	144612	117648	68694	83324	108007	179472	751133	59226	112597	72962	0	334	385	57442	63560	562	114432	84190	79407	99170	50303	437	48050	25874	66682	114822	25406	43056	97218	45258	62229	41093	54996	55555	61384	591383	52706	59399	94783	110587	91521	42489	182057	77844	0	117658	137551	74714	185848	51026	28907	37121	40467	31572	173680	128001	79686	879835	47881	53320	269293	80723	65701	1000	94136	95629	38291	37462	35642	127205	211032	26186	18916	148442	33193	544	200061	71383	Unclassified	0.35714287	0.85714287	0.14285715
18	C14 H12 O5 N2	289.0819	289.08228	0.19738355	289.08197	12753	15482	15556	10354	5770	10834	14633	13476	4175	13522	13353	9107	5526	4348	9014	25132	18887	16285	16343	4097	8702	27999	12711	16546	10461	2905	12008	5777	14161	8669	11490	8686	20500	9391	12513	7079	20429	10468	32267	13422	32343	10324	1167	673	576	10060	15728	855	13969	10806	12481	11178	10759	661	4724	4362	7538	18241	6516	14410	15980	9805	6261	8568	6540	9359	10678	28873	9343	10394	12999	9241	7934	5840	12156	5642	496	6246	27783	23934	18479	10809	9965	8531	8380	7322	31861	21484	14143	52320	14789	18447	44305	26521	19656	1012	12202	13919	4686	4402	5609	16311	10492	12174	4384	22529	3284	460	23994	12442	Unclassified	0.35714287	0.85714287	0.14285715
12	C12 H16 O8	289.0918	289.0922	0.10089307	289.09183	23864	24520	26959	27227	80931	62977	10913	17047	117852	11464	15867	12120	138623	39691	18144	9926	16444	135744	124361	18294	18255	9060	24219	5489	7766	0	7956	8878	24522	16134	16765	12438	41602	15377	19895	19968	33149	15804	18142	7350	6940	34132	932	0	0	7258	0	0	18314	14250	25674	28843	63359	0	153901	59762	27758	16630	9401	11433	0	7004	141992	104026	24086	96977	47494	8913	0	3755	5630	13406	17816	19414	14392	12698	0	17055	13984	0	8928	4856	4995	3408	50095	34785	11628	26236	45872	7194	8228	24927	9225	10530	5755	0	23013	36545	58582	45292	47501	31676	15514	11393	0	13787	60771	0	5663	192449	Unclassified	0.6666667	1.3333334	0.0
16	C12 H16 O8	289.0918	289.09222	0.19115545	289.09186	2421	4144	6396	2561	11368	8492	4216	4771	12645	0	1707	3324	17786	5438	5458	3172	3346	15007	15632	2722	2246	2781	5679	1902	1724	0	2475	0	3894	2318	3519	0	9351	3475	2492	3182	4814	2924	3730	0	0	4408	488	0	764	1113	0	0	4020	2268	7061	3084	8721	566	22832	8696	5189	2802	3082	0	0	1325	15103	14570	4411	13188	5795	3370	0	0	1993	2050	4080	3944	2956	3359	0	4442	4769	0	3042	1419	0	0	6384	5095	4062	5613	6217	0	0	2100	0	0	0	0	4110	5174	6557	3837	9619	5143	2427	0	0	0	11750	0	0	20097	Unclassified	0.6666667	1.3333334	0.0
18	C15 H16 O2 N2 S1	289.10052	289.10092	0.3925786	289.10065	0	2691	2316	0	0	6187	0	3884	0	0	0	0	0	0	0	6299	2218	6170	0	0	0	0	0	7909	0	1410	2503	1530	7854	2789	6237	11750	6122	26786	0	4142	8188	0	1820	0	0	4816	0	0	0	1360	0	0	9554	1648	2222	1704	1505	0	0	0	0	5075	0	0	14999	0	0	0	0	0	2511	2450	1433	0	0	12623	7882	2974	0	0	0	0	0	1684	1318	0	0	0	0	0	1564	9116	5831	3636	0	0	2476	0	0	0	3489	0	0	0	0	3017	0	0	0	8993	0	0	0	0	Peptide	0.13333334	1.0666667	0.13333334
0	C11 H16 O7 N2	289.10303	289.10352	0.01185534	289.10303	3008	5212	2917	3804	5558	0	0	7837	2752	0	0	0	9736	5162	1581	0	0	11511	7608	0	2562	6154	3008	5054	0	0	0	0	8010	0	5716	8502	13378	7584	2021	8703	6408	1403	1467	2263	0	9047	0	0	0	0	0	0	8424	4043	3868	2590	7187	0	4640	1418	0	10388	658	0	0	0	14994	5830	1423	8911	11475	0	0	0	0	5729	7609	4194	0	4904	0	2374	1429	0	0	0	0	0	1112	0	1528	6110	10386	1816	5650	2871	9772	0	0	0	2647	3479	1082	864	0	6281	0	2192	0	10755	696	0	0	20467	A-Sugar	0.6363636	1.4545455	0.18181819
2	C11 H16 O7 N2	289.10303	289.1036	0.25111687	289.1031	7565	8268	7387	7661	12714	15818	3280	10032	7410	2001	1720	6192	19961	4318	4771	1028	5641	17240	16039	2180	5132	10097	6169	8540	2275	0	0	0	9825	5543	10317	7038	15543	11852	3198	7457	10940	3694	5851	2065	1169	14480	0	0	0	2658	878	0	7688	4762	7289	7414	13111	0	10341	4665	3598	13316	2106	1772	2614	776	23084	10860	4147	19189	13410	6972	0	997	0	8883	9060	6064	0	6742	0	4968	4737	0	3800	1081	1071	0	5295	4135	4725	16036	14313	8105	5495	6165	15530	1129	0	0	8943	8679	4050	5005	4542	8899	5525	4236	916	13578	4584	0	3223	33021	A-Sugar	0.6363636	1.4545455	0.18181819
10	C7 H17 O3 N6 S1 Na1	289.10532	289.1054	-0.42468214	289.1052	0	2399	2459	3204	4056	2385	1847	1678	1912	0	0	844	2844	2229	0	3583	2377	3357	5802	4300	2262	2024	1513	0	1301	3767	2360	0	1252	1063	1885	2636	1663	2383	4816	2535	2169	2062	2029	3451	4192	1255	0	0	0	0	1780	0	2325	2079	2495	2304	2374	0	5386	2552	2233	2280	4245	3060	0	3827	2418	2653	0	1866	2876	1988	0	3426	5461	0	2239	1714	27387	2146	0	1476	2217	0	1843	1782	3370	2964	2110	2441	1869	2559	2378	0	0	2078	1888	2165	3349	0	2873	1700	4406	3212	2456	2064	1658	0	0	2586	10282	0	3046	0	Organosulfur	0.42857143	2.4285715	0.85714287
8	C7 H17 O3 N6 S1 Na1	289.10532	289.10538	-0.09486753	289.10532	0	1650	0	1431	1442	1186	1087	896	1241	2900	0	1031	1016	0	640	0	1420	1515	0	0	0	2226	1074	0	0	2662	1358	0	943	973	0	0	0	0	1804	0	1439	1243	1851	0	3363	0	0	0	0	0	0	0	1563	1866	0	0	1428	0	0	1020	1706	0	1227	1298	0	2602	2108	861	1626	0	1674	1997	0	3581	3749	930	940	0	25591	1546	0	1071	1360	0	0	1404	1047	1573	0	0	1828	844	832	0	0	0	1626	0	1517	0	0	923	1297	2518	0	1406	949	0	0	0	0	0	0	913	Organosulfur	0.42857143	2.4285715	0.85714287
6	C16 H16 O5	289.10706	289.10757	0.16607346	289.1071	67497	69250	46550	61038	40037	33411	48166	67048	56219	62534	57228	46380	46780	32318	46600	62615	57440	53154	59120	66734	78577	78624	58512	76987	38538	122800	43267	41679	56650	57229	57118	58785	66858	45584	79078	61280	55433	47649	70862	51277	145954	47857	14519	9398	16006	71246	70558	14019	56108	61556	61034	62198	41857	12550	69379	50407	44639	71847	47072	67906	68248	43375	53784	44894	27868	46701	37501	79881	87435	77114	120268	49494	52786	54135	37340	64731	12739	40671	54247	29494	64227	61295	52536	38917	49471	42272	58783	44434	52380	79071	41583	55956	68486	45303	47916	17026	54638	59166	45653	54436	60141	70704	58078	67168	59783	54783	43280	10575	42595	53816	Phytochemical	0.3125	1.0	0.0
8	C16 H16 O5	289.10706	289.10748	0.027455034	289.10706	158460	178140	105640	152584	100581	76018	101818	148275	135436	160498	117920	107394	117065	64103	111312	160082	140519	120485	154924	198902	201828	186709	136561	165516	76603	441298	102114	102408	123309	128041	118604	131786	136325	101804	216068	124531	122062	109461	173275	159448	372926	101098	13634	7311	16256	152516	166548	12880	136909	127291	141943	140121	96029	12296	166683	105384	94727	145579	111713	139088	161456	107598	134358	125487	73259	114836	85085	157284	222488	245232	338246	117311	116746	108524	102027	149487	13069	99856	187371	85239	158730	129881	124573	103644	126873	72751	150092	84892	110294	194880	106331	135700	178055	112134	138339	15716	149617	149615	117290	138062	124448	134097	114937	154021	82896	118765	104187	8792	116422	121365	Phytochemical	0.3125	1.0	0.0
12	C16 H16 O5	289.10706	289.10748	0.09903486	289.1071	564382	637705	538272	583130	450378	304036	393567	496121	482439	717154	544800	297971	412501	217465	346619	570711	423564	570199	630077	859823	864808	659637	420708	529476	310486	1006321	396119	430257	444156	388577	411185	453207	532755	400353	884347	379415	462584	366678	507441	676097	795495	341461	25694	15317	19585	450065	514306	21805	475948	435940	587849	588415	416210	15575	606971	353141	305880	552293	387751	431262	582724	423524	595770	462304	230956	482259	343410	488854	1014233	1227185	2802630	360575	367745	378480	410075	480601	13916	340503	527236	380329	495790	432229	394695	477665	429031	301047	522017	313391	388930	618886	446367	478715	527749	419966	635239	25379	576585	568077	439819	396145	416050	509017	348554	483957	351491	440677	374546	15747	355959	606413	Phytochemical	0.3125	1.0	0.0
10	C16 H16 O5	289.10706	289.10748	0.116522476	289.1071	333140	319659	272161	274988	236623	174893	224756	308497	270391	379946	274596	222110	256127	143066	229239	337396	263602	304667	347360	449458	478282	341376	264999	347853	176270	575518	215066	218130	250204	262890	249208	276543	318963	220498	460604	247445	294847	227529	312494	364341	793566	190265	24610	15967	21879	265700	271823	20860	295248	245995	312149	329566	213507	16095	331417	218148	161147	349018	234220	287999	362508	215162	272190	269864	133995	265040	176791	321535	561466	620270	1547250	227015	228236	220047	254855	283785	17179	191301	336681	196677	307938	241791	227725	231921	279447	181581	310858	189934	214450	342961	244049	232137	331770	242200	318630	25926	308748	312269	244627	249947	257690	265855	224670	307920	224821	239848	223518	16118	222818	296393	Phytochemical	0.3125	1.0	0.0
22	C16 H16 O5	289.10706	289.1074	0.14700145	289.1071	166735	169813	131716	152315	203313	147902	76363	124297	190976	187311	151488	77258	216934	142847	115217	130748	95011	257756	200799	215916	214736	189838	141965	149110	123227	196649	67004	136845	127169	102102	105321	111475	153143	116092	228589	122812	164239	105589	93397	172552	168920	120430	32433	23962	36064	139990	122994	29192	121817	104107	156514	151832	165558	30371	223875	178243	109806	138148	101345	86926	127396	123838	224746	179877	87845	233517	161516	97419	165270	212213	252250	118737	91027	96065	66794	114703	31498	91689	163042	118115	138695	104345	86943	109266	211104	128222	158463	127970	140566	128795	152131	157281	158647	122907	169507	33256	134479	149641	154123	210779	187776	155238	96937	124022	102748	130468	150748	24824	112004	280216	Phytochemical	0.3125	1.0	0.0
18	C16 H16 O5	289.10706	289.10742	0.12875587	289.1071	706012	692655	636884	582715	740224	546106	383915	506890	587975	983290	708154	315938	990877	487086	459342	582230	402782	1046502	1108226	1123549	1019769	810062	545864	601011	408291	894330	325688	671186	484044	408371	450453	476681	655436	481142	1031911	446209	688437	390757	433730	874160	788387	514011	43411	20660	29314	527018	451177	27656	529679	402214	681681	655121	601956	25495	829289	583053	423587	662683	427703	367869	568469	595484	851901	650868	339902	853558	615447	451623	785952	1053567	1185013	438612	364637	353465	354052	482952	24512	320750	642321	590788	524255	431172	371461	550336	643801	487915	627254	543695	583752	562416	709009	743754	747483	562403	846539	38216	657043	636913	571677	632339	616950	585924	362100	556246	314245	449288	463592	24132	406721	872114	Phytochemical	0.3125	1.0	0.0
14	C16 H16 O5	289.10706	289.10745	0.11847541	289.1071	735407	740853	659697	748443	693278	474338	478807	603473	712971	1042202	735074	436399	814472	384493	524575	677412	558632	887012	856058	1189448	1222550	952092	590817	624069	466384	1439023	448839	736422	519027	537058	498063	618353	733077	486438	1262026	531735	622423	478280	615743	996444	962579	490487	36553	15289	18045	600714	592600	21205	634033	486520	714650	649872	605203	15757	849178	551823	431192	757293	553659	520352	690752	627719	830530	705724	354509	735542	541450	556663	1198929	1742656	1737981	482877	486875	479961	478728	572864	14825	448263	694497	602751	657271	534332	508385	714667	672347	414443	722198	505457	570148	801895	694609	603827	812002	614580	819425	30574	702878	713942	585879	694794	632815	615845	475324	706735	388135	574408	529825	17840	483901	759513	Phytochemical	0.3125	1.0	0.0
20	C16 H16 O5	289.10706	289.1074	0.12820117	289.1071	381811	392841	363978	291361	453875	376316	193056	274112	421305	554309	365209	173848	625336	352317	287505	305056	215863	600888	619903	608569	568894	431809	302888	310399	260958	484713	180505	373948	292418	227913	224724	243329	385245	258866	596584	240775	450754	208459	204663	477906	418594	297369	44981	34124	43644	309420	279151	40933	268236	206293	388444	392615	392298	40454	469067	387396	275658	356329	252917	188507	305762	299834	531604	407841	211096	524563	395143	221493	377880	511254	569664	251385	238775	215132	199336	244891	42784	206202	353512	330972	280202	221972	220969	351328	405597	303611	357038	304860	338414	299747	398658	394715	430696	350542	384266	41983	373572	393048	356171	384885	397268	344912	223041	318432	211667	275286	332312	35447	236993	612642	Phytochemical	0.3125	1.0	0.0
16	C16 H16 O5	289.10706	289.10745	0.12639706	289.1071	746357	808612	732493	764067	792664	573388	465230	594956	786057	1205931	780103	412956	955339	503411	550126	696099	525121	1144310	1130168	1390195	1281995	930660	630323	683795	495663	1320257	416802	688206	537200	504714	570189	610775	759395	498584	1417385	528936	770496	473711	591451	1088795	1022329	522185	39292	19438	25689	625188	598740	26065	680362	521238	809196	788899	690247	21140	863582	645865	478183	760347	489067	502540	633654	661930	945171	723699	366233	931550	654499	543337	1171900	1681388	1670109	553046	521248	452239	456208	574140	22420	397139	733315	669548	564741	552245	499526	828244	760691	495804	729725	575270	611979	764087	751467	765816	892574	741587	1018701	32358	740407	773625	610138	669191	728415	704655	383239	576991	345467	604875	586942	18738	539510	1016461	Phytochemical	0.3125	1.0	0.0
14	C13 H20 O5 S1	289.1104	289.11078	0.030634938	289.11044	13843	11398	9118	19149	13749	13997	13199	6818	12442	18027	8360	5998	13123	13740	13554	21919	11162	15196	30168	9448	9024	14763	12250	10022	32371	0	13995	0	7899	5599	5455	7909	14751	5854	10788	8671	9947	11743	16117	4504	0	15630	0	0	0	6650	0	0	8428	5726	10814	12480	13766	0	12697	8086	10618	23036	0	0	0	0	8038	7558	11945	19615	24141	13051	0	1922	0	3575	4630	6071	6801	9011	0	6632	19701	0	13100	5588	6880	1889	10924	10101	32481	11815	15964	22331	14556	18190	24707	5637	14915	0	10792	12043	16299	7860	12793	9260	7633	5653	0	17500	11133	0	28511	10835	Organosulfur	0.3846154	1.5384616	0.0
16	C15 H16 O4 N2	289.1183	289.11865	0.09143822	289.11832	75141	91259	81037	75310	49090	46060	67462	68956	37099	76479	68234	50840	34405	35325	57597	114207	122857	63984	73551	63341	79517	122998	67406	117595	77162	62640	65825	94826	64846	58439	70493	66113	94753	75338	87039	70407	103652	48979	136654	83293	131363	48966	1818	1441	1091	53669	57413	1860	100545	65072	80481	87291	59013	1770	32108	23382	36305	111195	42787	68760	101676	56492	35123	32679	32380	52653	60069	137294	67893	96031	118943	69164	61450	43640	66313	56222	1145	45891	90936	106143	62750	58045	48101	65728	31976	33223	102190	83092	59017	220736	97252	97520	173909	82440	100112	1625	74037	75767	27493	30472	36700	103719	52983	59225	27849	131647	32737	1418	95887	53250	Peptide	0.26666668	1.0666667	0.13333334
20	C15 H16 O4 N2	289.1183	289.11862	0.11169972	289.11832	14731	18283	19757	12045	12858	13475	25761	23993	7859	11821	10543	20115	6573	12497	18807	28604	46508	9094	9529	10320	10182	20382	15500	34099	22625	5685	26640	15463	19016	19287	27668	20197	38487	27162	7890	15553	28005	12956	52719	8537	24032	19618	1597	1379	1131	11547	10276	1631	30091	18082	20692	19707	13257	2074	8668	3770	10035	33540	4669	12206	27504	5939	7467	9558	7462	12673	18475	64614	9855	10100	17647	18003	11747	7008	22520	20785	997	12692	23835	19277	21433	6468	7679	7988	7788	7277	31115	21862	20857	58449	17245	14168	43825	13334	14677	1559	19603	15366	5768	6679	7428	35829	18507	12041	3358	36046	9518	1615	24826	10479	Peptide	0.26666668	1.0666667	0.13333334
6	C15 H16 O4 N2	289.1183	289.11877	0.10014386	289.11832	176364	197257	170172	168965	107393	83660	122178	163232	79073	293600	190618	112022	83690	61854	129975	226381	199657	122928	152328	281928	346429	235715	128744	236826	131716	224401	121338	143941	141574	135363	145410	158750	241685	162400	330859	130142	234446	120430	256719	196825	279008	108357	1710	778	543	198178	233241	967	202648	131289	179141	181222	123118	1033	91868	55606	67944	206553	44930	116987	201028	141733	89262	74956	58694	103332	121786	272722	214266	347009	417548	135930	119526	102267	118565	122465	554	99593	166202	149748	134382	104088	72725	153076	73934	71240	202829	145363	135745	377290	136607	131457	342590	180425	269345	1104	173023	155514	58130	63480	73085	230253	99339	171188	90900	204941	66942	512	141976	101028	Peptide	0.26666668	1.0666667	0.13333334
18	C15 H16 O4 N2	289.1183	289.11865	0.1255109	289.11832	51818	46223	31660	39890	23293	27324	49169	44777	15156	27160	32811	32318	15070	21305	35641	58637	80887	29693	31585	27214	30434	60532	36435	59121	29878	21466	49804	35654	37679	35448	46104	36173	59497	46258	38585	36292	61444	36330	91406	41070	61375	37580	1504	1214	786	28116	33178	1376	53395	38622	44451	45705	31945	1830	18909	9365	20246	61576	22363	34291	59308	22965	13490	21656	20918	28495	31647	100964	33332	37095	49556	39749	27059	21275	45991	38401	777	23615	55551	57355	47270	25306	22451	25974	15792	18666	62934	48483	36501	132578	58242	52893	100431	40243	47014	1237	39214	39490	15915	14626	8736	64415	27617	43499	15323	60891	12307	1217	56794	28591	Peptide	0.26666668	1.0666667	0.13333334
2	C15 H16 O4 N2	289.1183	289.11887	0.15977637	289.11832	36010	35922	29520	29538	31680	26733	30735	35168	32814	41881	33390	34915	35303	19176	31084	18700	46160	35531	45236	42162	72598	46514	33049	33726	19069	36416	14157	29545	38353	23383	35318	31770	49794	31210	59136	30385	37402	30393	50325	54524	92351	30523	716	436	611	28593	46018	1034	33972	23294	29289	31551	31530	458	33797	19367	18537	33503	15063	31697	19415	36410	33818	32893	20459	37500	32827	63951	41731	52847	71594	30446	30985	23909	25719	29866	459	26466	38600	43025	33293	23694	22228	36311	27552	22445	34724	39095	35291	74155	21540	33317	60625	35734	29746	1133	36830	34972	24824	24423	23897	32172	32380	33025	27042	38013	22351	758	31092	34915	Peptide	0.26666668	1.0666667	0.13333334
22	C15 H16 O4 N2	289.1183	289.11865	0.18243861	289.11835	5142	7045	7681	7523	5671	2580	18848	9827	3881	2167	4156	15443	0	4678	16095	22043	31829	3687	2764	0	0	3023	8264	14000	19589	0	24079	2496	7630	19034	17234	11831	11881	7480	3244	9640	10116	28721	29667	2750	5756	7913	0	0	1175	3472	2631	0	11628	12546	6991	6647	4359	1270	3452	3567	6329	10367	1676	3294	10688	1115	0	3331	7759	2726	3769	55135	2573	0	0	6017	4698	4926	19062	7730	1305	8959	12663	4444	11211	2073	2452	2454	2741	6781	20343	7369	6909	22669	5190	5765	11895	2222	2068	0	5589	5949	4513	3085	4931	17591	10438	5056	1263	11059	5793	0	34335	2933	Peptide	0.26666668	1.0666667	0.13333334
6	C12 H20 O4 N2 S1	289.12164	289.12204	0.047230706	289.12167	2098	1960	1906	0	1402	2558	1127	1736	1980	0	0	712	1671	597	1894	2235	0	2966	2465	0	0	3714	1189	1666	2061	0	726	0	1755	1355	1726	1724	2449	1092	983	1680	3980	803	2206	0	689	816	0	0	0	0	0	0	1344	1001	2286	1862	1655	0	1655	0	0	2563	0	805	0	0	589	1698	0	1995	1306	1957	0	0	0	900	1780	1426	1082	1155	0	1140	937	0	1340	641	1333	0	0	0	1728	907	1018	2768	22921	41997	5183	1134	0	0	1599	2021	1151	547	1668	1804	1042	1951	0	2881	759	0	1106	2715	Peptide	0.33333334	1.6666666	0.16666667
10	C13 H20 O7	289.12817	289.12857	2.84917E-4	289.12817	23123	23505	21858	23763	29582	26900	22137	35991	32316	16658	13246	18859	49936	20906	24623	29197	21356	51195	42299	17589	13362	15483	17873	20221	19926	1952	14225	16509	46536	40167	29525	37268	37407	33891	17018	38654	43173	20014	20517	7901	4957	22824	3749	796	1006	14020	7700	919	45879	26222	22005	27235	25684	963	58711	28852	16337	36142	20943	11827	30800	4969	29886	31328	19917	36362	29971	21509	0	4152	6908	29969	29835	45449	22218	30232	0	20069	14116	16553	13519	11056	24955	7680	31214	27733	20526	18712	26646	22369	12179	22436	30518	11928	9970	1572	29140	30855	22474	30598	39590	41251	22923	21820	0	25851	32756	1030	12315	47689	Lipid	0.53846157	1.5384616	0.0
14	C13 H20 O7	289.12817	289.12857	0.07538611	289.1282	20125	18885	18332	21885	45461	39761	21438	24619	69726	10912	8244	11385	88760	38125	26160	18582	13017	70982	59154	15671	16260	5494	13236	9245	19390	0	16842	25530	40287	26646	19379	23634	42580	25789	21237	31954	33123	16606	14288	6772	0	24686	0	934	637	9258	0	1081	29392	10980	20737	15878	44230	1163	98780	49941	18859	25270	16317	0	21319	5967	48352	42047	25895	49007	33573	11273	0	3959	2497	17848	28521	34704	13216	22076	838	19857	9539	0	9229	4278	18706	6031	31982	27311	14356	18382	30083	6753	23096	23521	12127	7007	9911	1425	18696	30799	35578	39910	45350	40012	15547	20284	0	14982	48443	970	7898	64995	Lipid	0.53846157	1.5384616	0.0
6	C12 H20 O6 N2	289.1394	289.1399	0.17407839	289.13947	22329	24833	25603	26900	17805	32353	20929	29504	23193	6032	8949	17828	26188	8695	26833	39920	34028	35260	27682	7610	8160	25233	24003	40496	19438	0	19270	24600	25955	25452	21530	25255	32747	31560	9464	30431	33122	23414	36908	3094	4441	18308	0	0	0	12245	9384	0	34983	22805	23241	24031	21428	0	30633	12926	15503	38798	10471	10339	35115	3107	18706	12894	11866	30717	19719	43410	0	3451	0	25429	24885	21220	12595	20031	0	16443	22461	19119	17990	9737	7872	2689	17884	18678	33962	27393	20542	71501	44148	33041	62003	8272	6252	0	23153	25369	13978	11041	13690	30855	18953	11531	0	38828	19951	0	21516	29202	Peptide	0.5	1.6666666	0.16666667
2	C12 H20 O6 N2	289.1394	289.13995	0.15416618	289.13947	31937	29894	29647	28660	36789	40864	16096	37023	35035	8594	7280	19393	57705	17026	20467	13484	32276	55574	43978	9597	10349	32363	22473	44296	12101	0	5282	7439	44433	23709	43434	37436	65354	54801	13577	34481	52277	16198	33124	5377	3242	38672	516	0	0	10454	4878	0	40657	21758	29046	31077	38898	0	38674	20156	15609	50811	8953	6602	21739	2238	56294	35334	16441	64419	44991	39094	0	3309	1492	52895	50996	31808	6540	29470	0	20115	15028	8453	12738	4125	4983	861	25858	18652	19174	50406	41365	37878	36612	37507	61723	5023	3081	0	29023	30328	19987	20008	22265	36742	20319	15630	4155	48344	24982	0	15827	84470	Peptide	0.5	1.6666666	0.16666667
4	C12 H20 O6 N2	289.1394	289.13998	0.19360603	289.13947	20314	21776	20242	22810	15229	11968	14453	22852	22151	4568	8939	16547	24823	9654	16636	27844	47231	29888	22071	5808	5715	15396	16231	32215	49980	0	12922	7065	17187	16642	18210	20182	25541	17873	8162	21066	28399	18950	55155	2913	3105	15232	925	0	0	10706	7083	0	23096	20834	20545	17480	16704	0	23130	17898	12905	26184	9936	10496	28789	2117	21530	18242	14710	26359	13233	42697	1580	2322	0	20580	17641	21652	13397	15203	0	16200	17954	11402	15311	9161	7362	1311	23148	18893	19151	20954	15800	35687	35436	26064	41100	4673	4957	0	19329	23222	17431	21818	23993	28019	14985	9940	6879	21686	24979	0	71024	32495	Peptide	0.5	1.6666666	0.16666667
10	C12 H20 O6 N2	289.1394	289.13986	0.21350545	289.13947	8971	10108	5917	6394	7345	5864	8308	9500	7197	2802	4951	5351	7957	3395	9928	11533	6858	14401	11097	1984	3704	8949	9005	15348	11550	0	7945	12815	9858	7773	8623	11232	15470	10494	2374	6856	13974	8428	12594	0	1238	7113	616	0	0	4995	0	0	8627	8594	9372	6864	6928	0	11004	3741	3789	11095	3939	2429	11469	0	4252	5891	3374	6548	6744	10412	0	0	0	7788	8591	9755	7251	7166	0	8558	7285	21710	9626	2141	3072	0	7309	6250	11559	7464	8601	14578	20499	16160	20008	5112	2531	0	7735	8441	5497	3943	4705	8265	7351	4657	0	10952	4678	0	8582	10367	Peptide	0.5	1.6666666	0.16666667
8	C12 H20 O6 N2	289.1394	289.13986	0.12327429	289.13943	19472	19054	16635	19701	15676	14344	14342	22336	15517	6567	9297	13959	16300	6304	25393	29747	18123	19769	24319	6000	5179	12696	19432	26843	17776	0	15070	19775	25202	21109	19027	24797	22140	21648	5948	24611	26963	17482	23443	3379	2686	15945	491	0	0	7230	4472	0	26278	20661	18055	18252	16183	0	18942	8770	10492	26847	7553	5888	25462	2395	13710	12581	12768	22351	15884	21160	0	1708	1890	20421	22475	18226	12154	19206	0	16268	16211	20052	12148	6595	6285	1243	13412	11906	19441	15289	19138	30289	24106	33742	39233	7109	4111	0	18446	16473	12777	8932	8954	18293	13806	9627	0	21816	13202	0	14903	21705	Peptide	0.5	1.6666666	0.16666667
26	C17 H20 O4	289.14343	289.1438	0.13795748	289.14346	97406	92458	76376	83906	106144	65608	51127	94738	87028	83293	66741	70717	112052	86297	78794	101405	83413	109884	130804	121915	116511	91257	74690	100896	70184	102184	58635	76525	100149	90950	91724	95343	114732	88622	108166	103445	121772	61737	74816	92495	86263	79957	20463	16126	25334	72518	55275	18960	99863	83169	93609	90612	87793	19411	100444	97487	64569	115074	61368	53168	106004	47375	88478	85117	55496	104974	89055	87622	94080	111958	123675	76811	86295	93978	67015	113950	21039	68853	90713	196056	70309	58448	66882	64491	95769	62816	97267	74995	73824	86566	112949	97692	127702	91250	81161	19884	86389	99983	68687	115375	108067	121569	71589	85882	48610	81222	72008	14143	68689	99505	Phytochemical	0.23529412	1.1764706	0.0
24	C17 H20 O4	289.14343	289.14377	0.12059757	289.14346	271374	273689	247959	256911	293100	242171	182432	236428	252514	315913	259719	161943	357349	298252	244603	269982	196953	372527	422835	407473	380133	289266	241695	304908	213276	306106	149273	316026	260384	227644	215551	265166	326793	239622	394225	264071	368569	190985	199117	292182	266709	225087	37249	21160	38379	209845	156323	29742	274752	213678	257813	249223	236401	28514	333424	275837	194890	302561	199272	139520	287784	192850	288173	239190	174663	354070	265771	194625	251193	332474	334068	236105	206022	213832	168314	245320	29917	192435	273264	186106	217921	156906	181815	214914	262545	187967	279465	211485	258043	223091	306507	300612	385571	196953	278974	32068	265674	283544	222829	267764	282228	311589	168785	279760	156008	258545	200619	22260	224580	310325	Phytochemical	0.23529412	1.1764706	0.0
20	C17 H20 O4	289.14343	289.14377	0.10027421	289.14346	1203262	1337018	1220577	1040973	1166544	968946	778694	1102021	982423	1872194	1220316	726501	1257149	1038701	981053	1276518	1017710	1404010	1564782	2346996	2322844	1315142	881076	1210578	826094	2044029	835647	1200076	1192269	1022611	900571	1116947	1418193	1126824	1930670	1051861	1429846	756952	1003423	1548465	1504272	988708	64718	33240	26889	916807	863033	36125	1178478	892716	1194017	1244161	1018444	29940	1089318	951183	725176	1259238	899178	811044	1149715	961276	1124204	976765	596265	1278132	1041688	1016813	1639149	2207663	2416568	1003681	1003429	960081	1026728	1089769	23726	752194	1025830	968991	808937	601618	919753	1122953	985712	746993	1059948	1048327	1020100	1160753	1399387	1361781	1487809	1007884	1222410	43936	1223724	1239586	944367	1043955	1124462	1483699	771777	1303933	672772	1077790	867790	35803	840624	1242242	Phytochemical	0.23529412	1.1764706	0.0
22	C17 H20 O4	289.14343	289.14377	0.09645996	289.14346	721600	724772	625869	686687	844775	679965	427850	635646	634534	1078861	760204	407856	684918	712793	569688	666623	501475	1036015	810829	1334295	1242783	783001	577350	705801	587658	947356	397808	781039	717749	569678	561759	661862	849395	676854	1082870	646456	910927	478969	521167	800016	699198	581815	73665	35289	36622	532748	456529	47172	706710	518633	721337	675043	728632	41978	753948	581989	503899	785336	537366	417173	701025	594025	708637	600940	376488	877050	737670	519123	741962	1179320	1051673	626609	533877	519963	394270	614131	27482	446422	593371	499165	488157	391091	482041	610974	639938	492028	647075	625413	638732	628449	845221	874918	840143	582587	794657	70547	614257	729690	594621	647631	654386	832418	447425	750567	425073	655555	561523	38161	517052	815587	Phytochemical	0.23529412	1.1764706	0.0
18	C17 H20 O4	289.14343	289.1438	0.09013696	289.14346	1540545	1603709	1436185	1351405	1218374	998829	1049101	1456586	974963	2100468	1554134	899633	1374073	911070	1123550	1672172	1378396	1632618	1853781	2690155	2566673	1575199	1189187	1557500	918217	2842405	1054348	1406134	1394371	1221868	1192859	1376253	1723389	1415983	1961747	1320800	1710183	978688	1463772	1858993	1976322	1108789	56253	22042	24346	1099353	1075203	28664	1528858	1168628	1474830	1504060	1151065	24605	1374727	1060272	890104	1686392	934299	1104717	1465362	1219240	1306029	1109997	711544	1428247	1132547	1548416	2382496	2875453	3450066	1192402	1070685	1181031	1360123	1438447	18966	848960	1358725	1125248	1122255	882480	1080314	1355738	1235299	978642	1343296	1192638	1233438	1532349	1603903	1584576	1806790	1073744	1610125	35576	1478925	1441998	1061980	1141504	1255632	1660280	888585	1485353	601571	1208896	895840	22626	1071056	1221877	Phytochemical	0.23529412	1.1764706	0.0
4	C16 H20 O3 N2	289.15466	289.15518	0.08076589	289.1547	75851	86472	79593	73159	23906	39494	47180	112148	18125	135870	59854	53343	17925	20617	57326	103078	95143	46484	60631	143858	164467	103838	54732	111250	56014	99638	46667	105922	105950	79520	93750	116604	137383	99940	168823	113436	139446	46988	112738	111697	114247	48368	0	0	0	70949	89806	353	128481	94576	78824	64852	42468	231	30562	8654	19567	96380	10628	40430	94624	66365	22129	27131	16965	34722	44615	106709	71426	125616	133392	86369	83888	98418	88420	77364	0	66969	69769	72277	59055	23977	29098	77199	12739	19819	62161	54062	54925	111035	91593	48341	149265	76918	149839	628	76825	86132	15937	9657	10726	115083	56270	111235	38758	94793	13960	372	56905	23109	Phytochemical	0.1875	1.25	0.125
2	C16 H20 O3 N2	289.15466	289.1552	0.04526489	289.1547	58806	60497	52648	57213	17054	31709	46198	87152	20378	89648	45236	45973	16550	14509	47880	58177	76171	28217	32197	101311	113410	74592	46484	73511	43428	55015	34503	49201	74629	66053	66134	73257	77608	68657	107122	77405	73963	40322	87661	90014	85034	30695	374	0	0	43552	57566	0	79357	63693	54771	57004	25035	0	23033	7886	15611	68661	12018	26269	57816	42353	15261	19011	14710	21415	35961	96734	42962	75016	84522	64281	73104	76238	70318	64461	0	45654	50598	51572	44681	22663	26897	56586	9626	16600	44354	33958	31979	95363	62395	47220	109603	55641	74962	442	58039	63452	15128	7227	8198	70606	40953	83883	28419	66032	10072	0	44073	19865	Phytochemical	0.1875	1.25	0.125
18	C16 H20 O3 N2	289.15466	289.15503	0.037635237	289.1547	19238	20352	14554	21934	13590	10454	15016	16415	4336	14345	21570	13801	7037	12263	8161	28028	29423	7923	8138	19971	21418	21609	11098	23208	12535	20452	17804	18757	17805	15243	18028	15194	24213	15499	18147	13680	26931	13015	36660	22893	34100	10805	946	0	359	16452	11522	416	24156	15921	14069	12462	10297	362	5145	4431	8054	22870	6840	18748	22625	10510	5288	5540	5249	9152	13890	35992	15356	19648	39165	17136	10033	11844	21062	21315	253	8833	17442	21029	15375	9317	16122	12485	7292	8093	17796	13419	10769	41096	24246	21634	39303	17341	19677	0	20486	16971	5160	7727	9518	25719	14053	18696	6521	22977	7974	0	21413	8867	Phytochemical	0.1875	1.25	0.125
16	C16 H20 O3 N2	289.15466	289.15503	0.014080562	289.15466	41288	45785	45409	43009	28019	31509	45415	52453	14703	29424	29403	36241	10029	19574	27587	106225	123346	25340	31095	41397	37850	47262	29568	113522	36789	33461	41813	30785	51065	47270	48043	82698	87186	64147	30550	58562	84854	24566	122742	39060	51168	35104	515	0	0	30021	33043	0	71209	54505	42430	41322	30752	378	7432	8492	18633	83876	17979	36148	73763	21567	11419	12503	19869	21332	32923	145385	30629	44017	59342	54826	53254	35073	81681	50978	298	27491	43116	39583	28679	16385	25143	30163	12527	16115	50245	63325	48897	110360	47195	37284	98996	29097	37200	0	45435	45794	12670	13003	11336	105212	27974	29364	12108	108056	20643	434	45045	18207	Phytochemical	0.1875	1.25	0.125
8	C14 H24 O6	289.16455	289.16486	-0.010254645	289.16455	2122	1862	1806	1787	0	0	2705	1326	0	0	0	0	0	1129	1660	2170	0	0	1185	1536	0	923	1292	0	3194	0	905	2598	1286	2772	1430	1712	1300	938	0	2590	1465	1586	1871	0	0	0	0	0	0	0	1912	0	1275	1096	0	1921	0	0	0	907	515	1753	0	0	0	0	0	0	0	0	0	0	0	0	0	1359	1341	4896	1052	1589	0	764	88955	0	7770	502	1903	0	1292	0	70945	0	1386	2260	0	0	3318	0	0	0	1664	1813	0	3325	3681	0	697	2088	0	1313	0	0	2950	0	Lipid	0.42857143	1.7142857	0.0
18	C13 H24 O5 N2	289.1758	289.17627	0.25085694	289.17587	1922	0	0	0	0	0	0	0	0	0	3042	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	148806	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9117	0	0	0	0	0	0	0	0	0	0	26288	26668	0	2957	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3846154	1.8461539	0.15384616
20	C13 H24 O5 N2	289.1758	289.176	0.6288274	289.176	0	0	0	0	0	0	0	0	0	0	2551	0	0	0	0	0	0	0	0	0	0	1542	0	0	0	0	0	45489	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3643	0	0	0	0	0	0	0	0	0	0	12448	8175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3846154	1.8461539	0.15384616
8	C13 H24 O5 N2	289.1758	289.1762	0.09521891	289.1758	50168	60496	60561	57447	3541	4260	2062	7366	1410	19426	19966	2030	5957	1696	4819	9276	3067	2789	4083	1369	806	13098	3961	8385	6866	0	2172	136863	7446	4765	10783	6376	9989	7540	4267	5270	7856	3305	3112	0	0	3356	0	0	0	1760	0	0	5877	4896	61757	55348	3259	0	3293	1260	1504	10995	0	1176	6996	0	6675	2216	0	10108	3206	4621	0	0	0	11212	6267	7717	3024	5548	0	4618	4074	20063	1340	1496	1211	0	2403	0	5345	3350	4058	11555	2075249	3068955	22720	15365	10357	0	63655	67917	1629	881	0	5401	4809	0	0	9336	0	0	4829	8539	Peptide	0.3846154	1.8461539	0.15384616
12	C13 H24 O5 N2	289.1758	289.17615	0.09847147	289.1758	1816	2095	0	2370	2266	2199	0	2327	0	0	0	0	2553	0	1310	4212	2536	0	1540	0	0	0	1284	0	2800	0	1313	0	1796	0	949	0	2275	1478	0	1296	0	0	2134	0	0	0	0	0	0	0	0	0	0	0	1348	0	1036	0	0	0	917	3138	0	0	0	0	0	0	0	0	950	0	0	0	0	1671	0	1402	1895	0	0	0	0	0	0	0	0	0	0	933	2571	0	1061	5441	22066	19097	2794	0	0	0	0	2350	1758	0	0	2769	1107	0	0	2990	1292	0	1004	0	Peptide	0.3846154	1.8461539	0.15384616
14	C13 H24 O5 N2	289.1758	289.17593	-0.15098885	289.17575	0	0	0	0	0	1234	0	2118	0	0	1668	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3134	0	1586	0	0	0	0	0	1170	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2206	39722	0	0	2679	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16021	12231	0	2902	0	0	0	0	1415	0	0	0	0	2883	49869	0	1817	0	1322	0	Peptide	0.3846154	1.8461539	0.15384616
10	C13 H24 O5 N2	289.1758	289.17618	0.090287976	289.1758	3193	2975	3400	2885	1350	3949	3865	4156	2323	1189	2189	1461	1844	1593	3177	9009	2603	2093	0	0	0	1652	2825	4660	4931	0	3487	5797	4778	5128	5410	4844	10022	7316	1817	5063	8404	2948	3115	0	0	2057	0	0	0	0	2252	0	6569	2471	3160	3831	1579	0	4714	0	704	10976	0	0	9288	0	1970	0	0	2499	1459	2417	0	0	0	4144	4788	1701	3531	3101	0	1985	2698	5530	4187	1320	0	0	0	1499	2882	2138	1308	4269	38065	36994	7551	1162	2243	570	4948	3617	3750	1328	1911	8146	2168	0	0	5073	1827	0	3324	1332	Peptide	0.3846154	1.8461539	0.15384616
6	C13 H24 O5 N2	289.1758	289.17627	0.08629052	289.1758	61037	64680	60987	65596	12538	549874	5164	15140	8337	10897	20579	3661	19589	8389	18880	35303	5578	18987	17710	1276	1468	14493	6269	16131	11224	0	3807	161741	17305	11382	22181	26320	35558	16439	11341	13098	28620	6634	9857	0	0	23641	0	0	0	9391	3127	0	15833	8244	58999	59300	10469	279	7357	3014	2128	57994	1085	1368	14238	0	33019	5015	1764	16954	10545	10677	0	1793	0	13943	10587	9935	4229	8133	0	7255	6656	23955	3400	1155	1252	0	4125	7323	9360	9634	15061	16232	1165808	1855570	23862	19077	9777	0	58072	51133	5816	2756	4434	18275	5729	4966	0	15310	3689	0	5205	18816	Peptide	0.3846154	1.8461539	0.15384616
4	C13 H24 O5 N2	289.1758	289.1763	0.07517855	289.1758	40823	47783	47499	43103	15038	47275	6211	26719	11331	15323	21261	8207	28140	14964	36243	22647	13682	16799	19956	4121	4199	16640	15184	28937	16806	0	7991	141936	23855	19776	28991	24991	37926	23865	8209	23021	26992	26142	18814	1494	1675	18900	0	0	0	8866	2909	0	22390	17490	46382	34363	12688	1458	15833	7592	5590	30459	2832	2532	24803	0	20360	9439	5907	20014	12560	16887	0	2445	0	25031	18673	25335	11722	18725	0	13358	14131	27747	10915	2579	3494	554	5647	7385	15472	9342	18492	19151	1644019	2548651	39975	12427	7010	0	44998	51995	6658	6978	7906	22961	10422	8385	0	28001	7931	0	11798	24357	Peptide	0.3846154	1.8461539	0.15384616
16	C13 H24 O5 N2	289.1758	289.1762	0.2631064	289.17587	0	0	0	0	0	0	0	0	0	0	1825	0	0	0	0	1651	1749	0	0	0	0	0	0	0	0	0	0	34655	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10311	0	0	0	0	0	0	0	0	0	0	19664	12090	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3846154	1.8461539	0.15384616
2	C13 H24 O5 N2	289.1758	289.17633	0.059751507	289.1758	22082	24281	22234	19119	38141	24645	9277	29947	22376	5310	4009	13226	44021	20032	18525	29116	14081	32094	28152	7342	5172	18773	18500	36959	16657	0	5691	11821	38005	20366	26190	36708	36258	30440	9060	30946	35199	12548	15332	2632	1382	13579	0	0	0	10392	2100	0	29793	18192	22346	21992	25802	0	32947	9412	6109	40353	3407	1676	32135	773	35144	21680	5559	39500	22771	18532	0	3102	1069	27978	27395	29257	11775	20632	0	13590	14054	12082	8517	1319	2223	611	12399	11025	19997	24282	17884	29158	46947	38978	42784	3932	4005	0	21134	22398	9306	9539	11229	27867	13214	8294	2231	32029	14814	0	11264	52319	Peptide	0.3846154	1.8461539	0.15384616
12	C18 H24 O3	289.1798	289.18024	0.05572894	289.17984	71220	66909	59675	69277	19639	19743	67380	54300	22653	27014	30608	37062	17992	21663	41901	104378	84206	24903	33281	33131	30052	54365	37543	67108	47067	28358	108471	22613	55934	63386	45788	71554	44460	43387	36217	59139	50137	46177	92755	28604	44520	28812	6583	5967	5582	41868	42330	7571	63936	68501	63430	67778	25306	4277	27822	27488	29422	76395	28226	39462	72234	16873	29032	23564	24564	20444	25189	85854	21979	26980	33815	36823	43033	64634	110747	67513	3908	36810	55253	17135	43905	38139	44552	24272	32958	25927	71668	25889	34570	130800	70678	52382	72014	28266	52943	6923	63721	63381	31244	39818	44416	77707	36675	53522	0	51372	30825	5078	55566	17918	Lipid	0.16666667	1.3333334	0.0
26	C18 H24 O3	289.1798	289.18018	0.048727512	289.17984	236441	215484	207208	209457	226987	151661	206938	242051	203621	194772	236058	153383	250225	208560	224016	259978	224503	241170	323152	288770	271726	218915	162291	229343	223143	195025	191248	291950	260866	247645	206926	293965	336559	216261	248392	295609	311990	192947	247605	196954	184941	430659	18141	14526	21999	149131	109770	17812	275287	207355	230289	225500	205733	18377	267229	235969	157835	337046	187651	124135	277742	142139	192114	187070	133102	251748	278285	268384	173099	202862	201121	193046	208584	243738	169070	258520	19878	164056	226928	245329	154667	162146	204776	166852	245357	183109	301675	182895	189101	262679	327342	293106	290920	184236	217323	20083	215075	250562	194387	285954	283025	370483	150744	243436	171266	209616	188474	13635	232073	165515	Lipid	0.16666667	1.3333334	0.0
2	C12 H24 O4 N4	289.18704	289.18756	0.14346579	289.18707	8142	6698	5896	7261	382	0	5403	3531	0	699	7093	6101	718	0	24291	9569	685	453	0	735	417	18625	47180	41026	23970	0	1896	18751	2276	1770	2939	4884	6353	4492	622	4236	3905	19503	535	0	0	0	0	0	0	9288	218	0	1813	1251	5462	5896	0	0	289	0	579	12787	0	0	7518	0	0	287	0	0	358	2528	0	782	0	2826	4096	1926	624	4016	0	6965	42812	18738	114283	2013	0	0	0	1332	17137	592	1687	19485	44026	79031	68001	6374	0	0	5878	6882	835	0	0	2515	7771	221	1539	63882	0	0	26218	0	Peptide	0.33333334	2.0	0.33333334
6	C17 H24 O2 N2	289.19104	289.19153	0.096021056	289.19107	5165	5979	6833	5454	511	1373	4356	10892	574	9472	6839	3654	0	866	5324	13108	8718	2653	2629	8652	10340	4440	3968	15837	5706	3351	3654	3512	8603	7644	6634	8900	8359	8028	9024	8052	7286	4774	8172	6117	1496	3775	0	0	0	3604	4098	0	12088	9055	5160	5589	1364	0	770	0	787	8468	0	0	12591	1794	0	0	1752	1186	2411	14132	0	2769	4184	6320	5337	8254	9312	7508	0	4194	5375	5690	4689	0	0	4344	540	1350	5625	3057	3510	26156	9301	0	22497	4811	10722	0	5521	5468	502	0	0	9803	3635	3957	0	12740	614	0	5395	816	Lipid	0.11764706	1.4117647	0.11764706
14	C17 H24 O2 N2	289.19104	289.1915	0.1112211	289.1911	4621	4704	4587	4455	1252	3187	0	1701	5293	7555	10793	0	0	4365	0	3046	2591	3236	5958	26712	31351	0	1193	0	1346	95330	1891	10273	1324	0	1547	0	4665	2201	7476	1570	1825	0	3620	10335	6423	2596	0	0	0	4706	8232	0	2852	2258	5910	3669	2728	0	0	0	981	0	0	0	0	5262	0	1305	1353	1569	1901	3395	54729	67909	70813	0	1741	1420	1792	1552	0	1109	1730	0	1616	0	0	8586	3504	0	2112	2516	1624	0	4271	0	3294	3926	6443	0	2943	3840	3713	0	0	2249	0	0	0	3165	1849	0	0	0	Lipid	0.11764706	1.4117647	0.11764706
16	C17 H24 O2 N2	289.19104	289.19147	0.11562546	289.1911	2511	2466	0	2873	0	0	1339	0	0	2282	0	1990	0	0	4255	2435	1975	0	0	3321	2663	0	1652	0	38878	6577	1382	2252	1866	1305	2512	0	0	0	0	1839	0	6043	1772	2957	5231	0	0	0	0	2857	8530	0	1755	0	2207	3048	0	0	0	0	0	4602	0	0	0	1553	0	0	0	0	0	0	6206	5765	10332	0	0	0	2949	0	0	1671	5972	4310	0	0	0	5518	0	0	83360	0	0	0	13835	0	0	1570	7161	0	3726	1877	0	0	0	0	2538	0	0	0	0	0	22206	0	Lipid	0.11764706	1.4117647	0.11764706
10	C17 H24 O2 N2	289.19104	289.19147	0.15410107	289.1911	3444	3994	4226	3348	0	1671	2621	9000	0	6374	4116	2017	0	0	4092	15067	3191	0	1446	12977	8129	2664	3748	12865	15130	5271	2497	7620	4830	4720	7074	6678	8493	6329	4829	3931	5966	2949	3227	5473	0	1441	0	0	0	2053	2334	0	7217	6181	3012	2858	1639	0	0	0	1100	8536	0	0	10492	0	0	0	1495	0	3567	6613	0	8124	6643	7096	5859	3428	3519	5566	0	3094	3250	0	2441	0	0	3929	0	609	4883	2713	1560	11259	7173	0	25475	3328	8316	0	3233	2476	0	0	0	5078	1979	0	0	12409	0	0	5438	0	Lipid	0.11764706	1.4117647	0.11764706
8	C17 H24 O2 N2	289.19104	289.19153	0.06028503	289.19107	2754	4056	3569	2237	0	982	1891	5988	0	3390	4742	1938	0	0	1873	8228	3810	0	1773	8655	8070	2543	3550	7626	3480	4719	2137	4067	4358	4165	2642	4700	5644	4854	5282	2791	6267	2305	4544	5426	1214	1365	0	0	0	3846	2960	0	5903	3332	2861	2718	1042	0	0	0	619	5999	0	0	5256	1237	0	1063	0	1869	1473	4484	0	4949	3790	4677	5144	3326	5506	2787	0	2704	3194	0	2586	0	0	3853	0	0	3680	2318	3415	20489	0	0	13397	2940	6387	0	2627	3506	0	0	0	3964	2049	2903	0	9477	0	0	4581	0	Lipid	0.11764706	1.4117647	0.11764706
20	C15 H28 O5	289.20096	289.2012	0.030972963	289.20096	1837	0	0	1926	1649	0	2106	0	0	0	3984	0	0	3847	0	0	0	2048	0	0	0	0	0	0	0	0	3183	21410	0	0	0	0	0	0	0	0	0	0	0	0	0	3143	1055	0	0	0	0	0	0	0	3131	2910	1136	251	1870	7701	14528	0	0	0	0	2210	0	0	41978	0	4523	0	0	0	0	0	0	0	0	0	0	0	0	5912	0	1589	7196	0	13195	57058	0	5278	1305	2223	5395	156354	0	0	0	0	1897	3965	4463	1867	4976	0	0	0	24596	0	11521	0	0	0	Lipid	0.33333334	1.8666667	0.0
14	C15 H28 O5	289.20096	289.20132	0.06490213	289.20096	0	0	1466	0	0	0	0	0	3859	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	590	0	0	0	432	0	0	0	0	0	0	10116	0	0	0	0	0	0	0	0	4708	0	0	0	0	0	0	0	0	0	0	0	0	222	0	0	0	0	0	2197	3125	47031	27352	0	0	0	0	0	0	0	0	0	0	1516	0	0	16468	15106	0	0	0	0	0	23544	474	0	0	Lipid	0.33333334	1.8666667	0.0
12	C15 H28 O5	289.20096	289.20132	-0.10917481	289.20093	0	0	1717	0	0	0	0	0	1761	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	345	0	0	0	0	0	0	0	0	0	0	0	7544	0	0	0	0	0	0	0	0	3330	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1148	0	31857	13957	0	0	0	0	0	0	0	0	0	0	0	0	0	12662	8676	0	0	0	0	0	15469	0	0	0	Lipid	0.33333334	1.8666667	0.0
24	C15 H28 O5	289.20096	289.20102	0.15639248	289.201	1678	2428	2725	2373	0	0	8570	0	0	0	3669	0	0	2347	0	0	0	0	0	0	0	0	0	0	0	0	4917	82032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11397	0	0	0	0	0	0	0	2525	4047	0	0	0	0	0	0	0	0	0	0	0	0	1238	0	0	0	0	0	0	861	0	0	0	0	0	0	0	128018	0	744	6602	2747	0	0	0	0	0	0	167786	117159	0	16633	1623	0	3660	4655	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	1.8666667	0.0
8	C14 H28 O4 N2	289.2122	289.21255	0.093219146	289.21222	1079	1822	1052	0	0	0	1269	2800	0	0	0	1055	0	0	633	4138	1252	0	0	0	0	0	1809	21554	1063	0	853	0	1185	1271	1562	2220	1609	3701	0	1254	2312	705	1599	0	0	0	0	0	0	4031	0	0	3074	1783	916	1660	0	0	0	0	0	6011	0	0	3644	0	0	0	0	1249	0	1391	0	0	0	2592	1729	1358	1265	1007	0	650	2806	0	2772	0	0	0	0	0	1631	1298	1357	2714	0	0	4427	0	0	0	0	0	0	0	0	2210	948	0	0	2123	0	0	1938	0	Peptide	0.2857143	2.0	0.14285715
10	C19 H28 O2	289.21622	289.21616	0.088962235	289.21625	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1378	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	511	0	0	0	0	685	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3205	0	0	36950	0	0	4641	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1231	0	Lipid	0.10526316	1.4736842	0.0
24	C19 H28 O2	289.21622	289.21652	0.064593114	289.21622	271995	304364	271869	270528	254010	169489	557070	304837	168647	194833	274090	179447	177180	349651	235213	412879	546789	174211	306619	246664	234566	223575	179697	256281	260799	665143	558076	395391	263616	308161	194631	343505	286752	244847	212600	360185	252611	223077	525445	213676	299977	242564	20690	3988	7395	180578	241052	6832	287347	342948	284910	278356	229295	14203	218691	216376	192539	397181	147090	250989	327323	149511	205898	158371	236027	280804	386912	489807	300393	335199	437396	215935	226357	329184	438562	304336	11263	179559	266290	596105	179040	240055	318163	320629	271014	243198	462146	206952	257022	751316	501264	408920	335007	253950	290628	7720	269960	315838	331532	251379	317177	373431	157500	273298	187198	251972	237978	6760	315974	138092	Lipid	0.10526316	1.4736842	0.0
20	C19 H28 O2	289.21622	289.21655	0.07365042	289.21622	47914	40890	45557	42856	34672	18969	94002	52372	27802	11679	18846	35441	19888	45310	42008	67435	139679	22279	32172	15677	15510	23937	24486	33547	53304	36390	106057	28588	45014	48571	28898	44098	45629	30903	17621	57250	40428	40334	128408	16824	35662	26149	2747	0	601	14358	26088	1810	38245	44408	43481	50073	32344	1485	25874	34622	38569	65435	20799	45473	50750	11683	23692	22172	38829	31308	47204	129781	22037	15936	28849	23980	33092	48704	125905	52502	543	29695	57156	62352	35365	24595	69190	66904	37860	43071	82644	30869	32053	156540	76491	47318	73460	30483	27728	1138	42761	44742	42241	51609	55926	58857	30818	29536	16993	54905	40460	598	64910	17480	Lipid	0.10526316	1.4736842	0.0
18	C19 H28 O2	289.21622	289.21655	0.09320026	289.21625	13193	11191	9374	10113	6053	3014	24402	11047	3037	0	4038	7551	0	6971	8426	17549	38533	4670	8286	2013	0	8861	7386	10415	14414	2460	28494	5764	7777	12606	7003	10315	9993	6783	4240	13354	5520	12028	30326	0	7176	6746	982	511	410	3267	6024	550	8960	11039	12438	13244	6428	271	5214	8112	5222	14989	4475	12099	10959	2460	3527	3882	11772	6163	4987	43850	2896	3264	3385	4189	5191	15116	34813	10753	376	6101	15882	12675	11224	6926	15041	11488	10403	11937	21120	5174	7378	55946	15026	14162	18081	5155	5335	475	12714	8250	9306	13144	14228	13966	6093	5638	2866	11437	6060	0	17596	2431	Lipid	0.10526316	1.4736842	0.0
16	C19 H28 O2	289.21622	289.21652	0.026399743	289.21622	2011	2464	2583	0	1448	1478	4869	1670	0	0	1282	1461	0	1662	0	4438	6630	0	1801	0	0	3202	2932	0	2290	0	2770	0	1883	2357	1661	0	0	2069	0	3155	0	2847	6972	0	0	0	384	343	569	0	0	816	0	2238	4109	1889	0	0	2455	1098	1084	3004	1227	1565	0	0	0	0	3142	1703	0	8291	0	0	0	0	1390	2830	4267	2888	295	0	2669	0	3278	2094	1886	0	3456	1697	7849	1630	2374	30839	6646	3094	0	1398	0	0	1825	0	1751	2797	3430	3465	2528	1827	0	0	1777	0	5820	0	Lipid	0.10526316	1.4736842	0.0
22	C19 H28 O2	289.21622	289.21655	0.051388055	289.21622	129824	143170	117008	136128	101660	65689	280360	132696	79598	72150	99462	99049	55158	152245	117188	205767	324534	79869	110209	81254	91867	115243	93101	104198	136605	160133	304860	116959	126491	130371	96828	147093	121588	105417	81381	162729	115810	128436	319370	69057	126866	109301	7466	0	1450	75057	112845	2864	137421	137371	135163	127274	103223	4404	100390	104442	101759	196322	66925	128568	157732	57224	87616	73572	122198	97199	156468	344220	95369	111308	130226	79311	90980	140186	250077	147235	1823	77593	143987	180575	101660	93718	178393	157917	127218	120648	238760	90921	105249	487227	236131	200185	176823	111316	129040	3000	117244	144327	133720	141595	139352	171742	87036	117264	77270	125917	116873	0	160772	64729	Lipid	0.10526316	1.4736842	0.0
4	C13 H28 O3 N4	289.22342	289.22385	0.07653435	289.22345	11617	11433	11060	9844	0	0	18227	0	0	0	0	4937	0	0	0	6995	667	0	0	0	1026	78198	32963	31770	3240	0	7237	0	0	0	615	48018	50009	35714	1406	9965	17171	3962	1088	0	0	0	0	0	0	11528	1167	0	0	0	10475	9453	0	0	0	0	0	42943	0	0	7892	0	0	0	0	0	0	19677	0	1353	0	0	3358	0	1304	517	0	8153	32825	0	76170	3387	0	0	0	0	9349	0	0	77415	0	0	87366	757	0	0	9917	9294	0	0	0	11818	21124	0	0	60242	0	0	11558	0	Peptide	0.23076923	2.1538463	0.30769232
6	C13 H28 O3 N4	289.22342	289.2237	0.22588739	289.22348	687	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1029	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2053	0	0	0	0	0	0	0	33714	0	0	15677	8062	995	4051	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23076923	2.1538463	0.30769232
2	C13 H28 O3 N4	289.22342	289.22394	0.12284822	289.22345	5228	5641	5718	3857	0	0	15550	3809	0	0	0	10989	0	0	13547	25620	4598	0	0	7938	2685	1523	76288	103548	26659	0	0	2076	1417	909	1731	8977	7545	30774	0	26134	7985	10238	3493	0	0	0	0	0	0	9361	815	0	1543	0	5910	3578	0	0	0	0	0	20755	0	0	19974	0	0	0	0	0	0	19235	1801	1746	0	627	1365	815	0	930	0	15737	72123	8481	82496	1954	0	0	0	419	11531	0	0	77338	0	0	160819	1669	415	0	7031	9663	0	0	0	3297	8479	0	1962	128274	0	0	27248	0	Peptide	0.23076923	2.1538463	0.30769232
10	C13 H28 O3 N4	289.22342	289.22385	0.13078994	289.22345	14792	16199	11375	0	0	0	0	0	0	0	0	0	0	0	0	12312	0	0	0	0	0	72016	113911	413091	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	62272	0	0	0	0	14209	13443	0	0	0	0	0	13167	0	0	16671	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40502	16253	77996	0	0	0	0	0	6946	0	0	0	11820	0	724129	1104	0	0	11792	13518	0	0	0	0	0	0	0	361799	0	0	857	0	Peptide	0.23076923	2.1538463	0.30769232
22	C16 H32 O4	289.23734	289.2376	-0.04324909	289.23734	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1385	0	0	0	0	0	0	0	0	868	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1013	0	0	27818	0	0	0	0	0	0	0	0	0	0	18548	20137	0	0	0	0	0	0	1530	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	2.0	0.0
26	C16 H32 O4	289.23734	289.2378	0.5192166	289.2375	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38461	0	0	0	0	2159	0	0	0	0	0	0	0	2956	0	6914	0	0	0	0	0	12448	0	0	0	Lipid	0.25	2.0	0.0
24	C20 H32 O1	289.2526	289.2529	0.07728486	289.25262	9764	8842	8503	9356	0	1646	83834	6817	0	1667	4600	3124	0	28546	4770	15117	20702	0	0	1673	1401	2259	5731	6545	8612	8328	89382	10983	3752	6941	5075	6798	2820	4248	2024	10169	2139	8419	21033	1057	4956	2877	0	0	0	3397	6401	0	4213	8231	8713	10804	1849	0	0	2828	4409	11266	1421	9461	12310	2145	8877	1104	21938	1838	7325	25222	3040	2368	4807	1788	4243	9950	13703	8320	0	2037	22078	17377	9784	9299	17202	23426	1743	0	66009	2331	2686	105483	32708	18144	14787	3655	5936	0	10100	8670	6585	2794	0	4194	2735	4287	5053	8727	0	0	16797	1859	Lipid	0.05	1.6	0.0
22	C20 H32 O1	289.2526	289.2528	0.07547594	289.25262	0	0	0	0	0	0	11637	0	0	0	0	0	0	0	0	1868	4861	0	0	0	0	5493	0	0	2264	0	12100	0	0	0	0	0	0	1283	0	0	0	2616	2970	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2128	0	0	1546	0	0	0	2141	0	1476	4006	0	0	0	0	0	1055	2920	0	301	0	5201	3633	1592	0	3364	3475	0	0	9205	0	0	25769	4381	0	12342	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2680	0	Lipid	0.05	1.6	0.0
26	C20 H32 O1	289.2526	289.25293	0.0258116	289.2526	28779	23690	28104	25912	5320	4989	154145	21681	3214	2422	20621	9901	0	45476	20226	31150	30974	0	6277	6580	0	15021	23790	25544	40989	27303	167441	45329	17848	17713	12295	18563	8974	10945	3866	26055	6759	24400	32141	4977	18232	8773	0	0	0	10446	10334	0	12666	22048	29703	27113	5881	0	4537	9089	12127	36130	7396	20971	33978	9542	14950	3309	49955	6347	14927	38298	20200	9758	14443	4951	9247	24215	23896	19266	0	11033	155784	86143	51057	33761	26851	36035	0	6681	288866	7394	7259	758944	33895	29039	79039	19718	11675	0	31012	29874	13815	6155	6199	14048	8888	15700	25144	19015	4471	0	55010	5254	Lipid	0.05	1.6	0.0
8	C14 H11 O6 N1	290.06592	290.0664	0.17352548	290.06598	13143	18016	11175	16272	23634	12971	4839	7268	26149	12452	12340	8328	40726	11805	6215	12394	10928	29380	30815	9278	15468	22486	11980	9751	4599	3704	5435	5978	5502	3672	5458	4262	13074	4177	19680	5324	12630	7893	13397	8771	17930	14273	0	0	387	5276	13430	443	4731	3830	14227	12946	16422	444	29665	21832	13900	6752	5773	9419	6135	7712	50743	32693	11385	29831	13948	12166	7120	5475	12733	3875	5235	2522	5244	4990	277	5973	12804	10572	8571	8078	3959	3169	19512	10159	13288	16852	15773	20300	0	12053	21378	17951	16989	476	9450	11956	17974	33291	28536	13521	8013	6942	0	14363	13095	0	6306	54369	Phytochemical	0.42857143	0.78571427	0.071428575
26	C14 H11 O6 N1	290.06592	290.0662	0.049890187	290.06592	6535	5426	6771	5701	2146	3220	2048	0	3505	2796	2995	6541	0	0	0	13665	13675	0	6083	0	0	9452	6820	12746	0	0	0	0	0	0	4521	0	7361	4298	1578	0	7878	5009	13268	2549	3482	6760	0	0	0	0	0	0	5185	0	4721	4140	4684	0	0	0	4025	8462	2337	5158	9233	2818	3916	4819	3306	2951	2665	13095	0	0	1905	7010	6509	0	10056	4554	0	4837	7538	0	9156	0	2233	0	0	0	7393	4640	8562	21760	2813	2477	18129	4575	0	0	6168	5720	0	2101	0	7757	5895	0	0	15786	0	0	3703	3766	Phytochemical	0.42857143	0.78571427	0.071428575
14	C14 H11 O6 N1	290.06592	290.06635	0.19221438	290.06598	50605	52377	48542	46489	67299	45115	33417	30312	63439	49458	46719	22607	101792	24956	27818	48348	51817	98231	72743	29269	52308	105748	33330	42656	28732	11586	28203	20945	26701	29269	27153	31036	55667	25546	65558	23453	53700	28087	62879	42970	72088	40459	0	551	830	31281	43748	987	35794	21956	50763	46945	61197	1008	59847	43205	32714	53491	24302	35725	49761	30187	86024	65235	29630	81547	47098	63741	17208	24335	42727	23824	20451	13621	36028	24220	391	25328	56221	78359	44368	21070	20017	25887	55880	25409	68580	61414	56854	117051	40109	50882	93347	71330	78932	1339	51322	40868	39179	64254	52445	56787	26358	31893	0	54951	35107	887	30584	105033	Phytochemical	0.42857143	0.78571427	0.071428575
10	C14 H11 O6 N1	290.06592	290.06638	0.197157	290.06598	36212	37012	31708	32711	41796	23579	12570	15310	46010	33591	28985	18423	74974	16019	17000	41306	20679	62569	64610	26258	36022	63273	23915	30459	10696	7479	16490	13983	10297	16261	11363	20482	31444	14440	43476	9748	38851	18869	26528	32379	49533	28687	1152	557	671	19468	26795	638	18909	12641	35752	36683	33529	477	53359	38561	20047	36566	19990	24738	34584	18424	68555	52026	18417	59189	22985	38879	18695	15346	31954	12585	9671	5190	27087	17484	0	10850	29770	26301	23658	18800	13913	11815	42243	20568	31131	35188	34529	57876	14909	23407	44563	46983	51209	979	35059	34194	27858	45814	36259	41632	15042	13958	0	26190	27656	0	12705	88463	Phytochemical	0.42857143	0.78571427	0.071428575
6	C14 H11 O6 N1	290.06592	290.06647	0.25312015	290.06598	6556	5945	4804	6334	12082	4985	2527	3675	13250	5625	4689	3435	18739	4549	3461	5649	7110	14508	16899	2230	5735	9513	4918	4882	1263	588	1729	0	2305	1798	1988	2370	6307	1698	8329	2330	6049	2783	5433	2031	5437	6251	0	0	312	2919	4016	329	2698	1165	5463	5665	8116	278	13061	9533	5272	5480	3451	3994	5135	3401	22208	10833	4095	13080	6349	7579	2116	2345	3499	1926	2146	1409	0	1906	219	2429	5182	0	3799	3156	1220	1197	11537	4453	4945	9867	7767	8058	0	1615	6444	4986	4918	326	5754	3701	6692	14242	12474	3955	3972	2604	0	7360	6201	0	2125	32487	Phytochemical	0.42857143	0.78571427	0.071428575
16	C14 H11 O6 N1	290.06592	290.0663	0.1829013	290.06598	40920	36566	36970	42691	46838	35996	23777	23954	34638	45039	33659	25882	65085	31392	23407	43307	45582	76289	69866	20020	31515	79152	27038	40431	16838	10854	23508	17401	24582	17732	21474	23525	44487	23942	43854	23442	47763	18057	53208	40124	59578	36035	1953	1152	1482	22359	31047	2043	27316	22648	36779	42714	46030	1220	36098	32456	27302	47954	14681	32204	35591	22957	66186	45563	22987	75832	37203	42820	18458	20230	36785	18047	20742	11350	26781	20778	749	16990	50545	67957	29656	19706	17940	21983	46459	28747	57646	50997	42866	97092	28302	40349	75854	67034	68798	1382	38092	35724	30172	45849	42685	41425	16978	22373	13811	54704	31283	1241	32783	82294	Phytochemical	0.42857143	0.78571427	0.071428575
22	C14 H11 O6 N1	290.06592	290.06628	0.14581697	290.06595	5535	8046	4472	7029	3153	5959	3773	4980	6005	2537	2150	6524	4692	0	5261	9626	10774	12281	10701	0	3663	11925	5018	8134	4386	0	2306	0	4009	3885	6043	3872	9104	4341	2873	4459	8386	5809	12004	2370	7124	7781	0	0	1443	2509	4999	0	7814	3132	6244	6813	7107	1394	5863	1885	6408	7302	2558	6902	10551	3045	6583	8255	7037	5194	7360	8014	0	0	0	3328	3777	2012	5829	3826	1345	5374	10125	12103	7695	2732	1538	1901	6148	4930	11205	10285	8393	21806	4546	0	16868	11487	10888	0	3611	6315	4197	3290	3007	10370	6150	2915	2007	15666	4679	0	4387	10342	Phytochemical	0.42857143	0.78571427	0.071428575
12	C14 H11 O6 N1	290.06592	290.06638	0.19325477	290.06598	50743	49476	45602	47372	66819	40615	30774	39679	71871	51555	40080	27860	85975	26041	28090	36546	60620	106493	109884	36520	45140	101946	47886	40219	19255	11453	24256	19535	22510	14782	28551	25496	58116	27321	66403	19177	45455	28393	69948	46177	82523	47354	1086	524	782	25898	47464	609	32892	24477	44353	46594	59184	581	76374	49745	38736	50602	23429	33040	35076	30636	118644	79677	30335	93587	49195	65674	26396	26670	51142	25208	19364	12165	28663	22681	569	29518	57184	36058	38264	23471	16172	20869	59816	30892	54512	58897	58644	117206	36312	45770	76959	59443	58652	812	48385	45335	50965	65746	60706	45444	27545	25438	0	59080	38846	537	26877	135028	Phytochemical	0.42857143	0.78571427	0.071428575
28	C14 H11 O6 N1	290.06592	290.06625	0.08263365	290.06595	8504	6587	5311	7736	2961	5468	6726	7840	2771	6172	3282	5910	3454	3424	5664	11421	18118	9172	7542	0	2618	8163	5671	11084	4294	0	4489	2318	5453	5472	6942	5898	9029	6249	3443	5578	7922	5215	18060	2535	4528	8274	2065	0	0	2116	2690	1321	7734	4947	6661	5923	5183	0	4982	2320	3478	8404	3366	4228	8636	1797	3122	4157	2988	5236	5096	22210	0	1247	1288	6167	7557	3393	17400	5179	0	4168	8984	9835	7441	1552	3448	0	3332	2498	7233	7286	6210	17245	3993	5053	16226	5237	7500	1750	9027	5218	3685	2075	2912	10382	4707	3017	0	9836	2111	1254	6523	5964	Phytochemical	0.42857143	0.78571427	0.071428575
6	C11 H15 O8 N1	290.08704	290.0876	0.20736958	290.0871	7870	8338	9825	9023	21925	13385	3105	4562	19600	2455	4675	6339	47917	8451	3923	6657	7555	36059	30219	3998	5127	4595	6938	6893	2343	0	2629	0	6413	4698	4702	5482	12100	8958	4567	5463	10345	3407	5884	0	1663	14577	0	0	0	4028	3910	0	5967	5921	9509	7382	16998	340	24975	26261	8875	7567	2950	3720	7834	0	37609	21216	9158	26625	13685	8170	0	0	0	6936	6233	4246	4036	4425	0	4246	3739	0	2631	1350	948	0	26627	8327	3581	15283	16783	5575	0	5409	8353	3109	1751	0	8947	9769	12822	24352	37727	12288	5529	3232	0	9597	24157	0	1949	48129	Unclassified	0.72727275	1.3636364	0.09090909
10	C11 H15 O8 N1	290.08704	290.08752	0.21513855	290.0871	8004	8791	6435	7956	21682	14506	3666	4708	25460	1839	6746	9241	47058	8643	5117	4975	10165	36373	31581	3116	4466	4369	7596	3260	1523	0	3416	3452	6016	3211	4586	4159	12880	4211	0	4079	8630	3503	9128	0	2396	17809	590	0	420	2408	2248	0	3064	3120	7423	8189	18636	470	33884	32905	8096	6310	0	3899	0	3516	37832	29954	9510	25960	17470	7105	0	0	0	4665	4266	4496	7561	4363	0	4077	4143	5851	2491	1484	890	0	25152	9211	4307	17172	15322	3071	0	2760	6064	5987	0	647	6971	11738	17521	25959	29122	11760	6310	4929	0	7099	23452	0	2292	42444	Unclassified	0.72727275	1.3636364	0.09090909
12	C11 H15 O8 N1	290.08704	290.0875	0.13895711	290.0871	3483	0	5203	4203	13586	9858	0	1799	15214	0	3683	5229	24272	7586	3167	1821	6353	20623	23014	2199	1806	0	5616	0	1225	0	0	0	3845	3294	2539	4439	7349	2502	0	2510	3931	1329	4965	0	0	12079	431	0	676	0	0	505	3267	1969	3531	2473	13871	336	23199	16609	5779	0	0	0	0	0	19672	22331	8114	20821	6924	0	0	0	0	2166	1782	2096	2437	2528	256	3170	0	0	1852	0	0	0	15375	5848	2660	10517	8721	0	0	2547	3697	0	0	0	3082	6416	11043	12285	17036	6479	3020	0	0	3429	15943	0	1055	30406	Unclassified	0.72727275	1.3636364	0.09090909
8	C6 H16 O3 N7 S1 Na1	290.1006	290.10123	-0.06289432	290.10056	0	1667	0	0	753	0	0	0	0	3192	0	0	0	0	0	0	0	0	0	0	1043	0	0	0	1008	1774	786	0	0	0	0	0	0	0	1998	0	1407	0	0	1876	1739	685	0	0	0	0	1873	0	985	0	1113	1078	709	0	932	0	529	0	3338	2180	0	2900	0	1605	0	1045	1556	1377	0	0	0	0	0	0	28838	1023	0	658	0	0	0	1508	2139	1254	0	0	822	987	634	0	0	0	0	0	2379	0	0	0	0	0	0	0	792	0	0	988	0	0	0	0	Organosulfur	0.5	2.6666667	1.1666666
12	C15 H15 O5 N1	290.1023	290.10275	0.1535925	290.10236	167897	179470	157629	176254	129109	88208	100743	112120	129930	299605	200257	74924	143756	64115	79069	163133	143793	183460	213646	295170	372027	334180	92325	166097	82844	281476	97607	157094	116924	91963	97630	112098	172087	105940	370696	95129	157807	85521	169311	293320	434762	85900	4114	2198	1804	163876	193983	2768	129406	103926	181748	188419	120329	2136	165999	91507	66032	163211	106633	124873	149603	178472	186384	122142	59518	165459	102899	157366	329514	393494	518297	93947	93377	80802	107804	106643	1602	85399	126753	187162	102284	129451	106040	169018	116817	75647	146518	108587	107579	262495	207167	229208	244648	256510	316354	2669	180046	180626	99591	103323	101692	166477	79312	139898	73585	149112	92196	2302	94061	206570	Phytochemical	0.33333334	1.0	0.06666667
20	C15 H15 O5 N1	290.1023	290.10266	0.14670406	290.10236	30037	29082	25246	26024	24606	22048	15414	17619	25834	49422	40409	15882	26119	17809	19325	31927	22395	26508	35993	27086	43388	62249	18280	35181	24864	24820	15624	39949	19394	17188	19189	23113	29949	20713	55254	16008	34446	18828	23375	48221	78146	22795	3636	3312	3095	26278	39972	4192	26232	13921	26693	30785	22630	3392	17267	15929	17151	29854	10551	23142	29175	34525	29649	22537	9674	36938	22560	27623	33813	30901	52350	19587	14532	10109	14634	21202	2903	18232	27392	67364	18848	21860	17007	26108	28050	15568	32148	28636	28482	39235	37125	42268	40521	62302	65133	4219	30712	31602	18028	26411	24193	31529	16082	27596	19689	33264	17014	3208	19923	36619	Phytochemical	0.33333334	1.0	0.06666667
14	C15 H15 O5 N1	290.1023	290.10272	0.16255432	290.10236	208069	206256	195536	214374	145445	117780	130439	148810	142518	367506	279632	97764	176240	77759	119611	193639	165323	219936	207846	308095	385733	421114	131670	211700	130100	278921	121763	203733	120260	114562	124453	156580	205169	130753	433773	115727	195731	105455	190349	363114	486908	118536	6504	1964	2244	186625	229095	2752	165852	106120	203022	193266	133873	2883	153478	96662	96349	226779	125655	152616	193655	217329	177064	142246	70271	189520	128906	209911	288778	359334	529945	124528	121089	83949	128527	136269	1958	99843	160512	301138	126620	145807	128098	250053	111700	88078	174008	171491	149969	322430	252253	246860	342563	341357	428930	3487	221849	186132	96078	114552	120104	179885	108885	181906	103683	194378	104285	2276	142430	176411	Phytochemical	0.33333334	1.0	0.06666667
8	C15 H15 O5 N1	290.1023	290.10278	0.11712666	290.10233	96623	102681	74528	97350	70422	42851	43292	64884	86330	172600	115464	45896	118169	36632	47913	95143	78558	88857	116199	157716	197510	169231	63946	77366	36708	151958	52342	81542	58406	51331	55848	67595	81380	55731	211089	49076	83194	47022	97860	169965	236023	54248	2408	1123	1548	86781	133622	1221	71417	54753	94808	90332	66233	1832	106152	63002	40873	73790	44153	84475	80878	111572	95959	91975	37334	98172	53224	88272	199878	221136	325310	53674	48836	38298	48340	56775	1241	40607	75808	94641	58621	69246	55004	90751	74473	39217	75048	59829	62812	142694	57276	93317	125710	142254	187590	1855	92173	92700	64610	90900	81449	79946	43079	85580	48990	76970	63441	1084	51500	113731	Phytochemical	0.33333334	1.0	0.06666667
16	C15 H15 O5 N1	290.1023	290.1027	0.15964967	290.10236	144566	140181	133498	127945	119488	105051	81544	93816	99423	276438	199637	68251	134939	63338	70611	133107	118326	162040	165557	241134	288047	267797	90252	125498	80109	200809	65118	175449	86191	76348	91903	101217	151489	87315	298024	82142	149913	59456	128206	271916	361769	89202	6029	2864	3469	117541	159161	3130	108698	82087	138713	136719	102526	3443	98133	67665	59289	137292	86588	117730	113303	185022	144093	92431	53722	140246	103989	128848	203176	249898	332241	82910	83950	46013	86966	81357	2851	62884	110715	243148	82095	111842	91987	190467	82350	61798	114719	104126	108702	233221	173201	206688	203057	247770	310505	4198	124053	132757	67773	88584	87203	149685	56098	111438	80997	136321	75540	2708	97674	147822	Phytochemical	0.33333334	1.0	0.06666667
6	C15 H15 O5 N1	290.1023	290.1028	0.21645162	290.10236	73561	74215	63800	71297	58677	37140	32070	50392	58887	141137	90883	33296	95711	30451	39208	61622	54351	74130	83411	108789	172288	108048	46264	66354	24457	91180	34236	56539	39905	37741	39487	46531	68391	45333	170519	42353	66801	36698	74818	82949	153564	38168	2014	1022	1560	66517	99460	1335	53119	44054	70339	68823	50395	1369	79443	56033	30697	62009	32936	61126	55494	74389	81517	58244	24213	69926	43235	77255	142175	148078	243913	38998	41524	33882	29642	38749	982	29874	46441	52307	41261	46608	31312	48523	56291	36087	55088	48338	49859	88386	49423	65170	87070	87591	122771	1750	65518	62702	38279	59264	64205	63746	33919	60518	39302	54171	42846	1047	30449	94579	Phytochemical	0.33333334	1.0	0.06666667
22	C15 H15 O5 N1	290.1023	290.10266	0.15256311	290.10236	11154	9600	8499	11064	11270	8075	5955	11165	9721	23503	17657	6356	9922	5382	7775	11781	6422	5837	14577	5874	16288	22569	6214	11220	7002	6123	5209	12321	7841	6132	4773	9066	10038	6883	21413	4968	11430	6556	9228	23110	29189	8911	2354	0	2895	7100	13149	3110	8478	5566	10788	7995	9678	3449	10048	6347	4511	8213	6293	9990	12711	16543	10471	7271	5155	12289	11493	12727	9679	8531	17414	9435	5127	5308	5293	7980	2894	5228	9441	23452	9579	9278	6361	9277	7481	7218	8098	11458	9528	10699	10899	11783	16189	20607	23755	2948	11826	10695	6707	9738	7182	10805	7467	8579	6712	12491	5137	5082	7771	12563	Phytochemical	0.33333334	1.0	0.06666667
14	C12 H19 O5 N1 S1	290.10568	290.10605	0.021283112	290.10568	1954	1863	0	1604	2806	4508	0	1349	1443	2726	1649	1255	4019	1488	4078	4985	0	5802	4472	2778	1542	4719	1415	3300	1871	0	0	0	2523	0	0	0	1967	3163	2919	1864	5546	1250	2177	4209	0	1300	0	0	0	4356	0	0	0	0	2876	3194	3421	0	2131	2595	906	3746	0	0	0	3326	2095	1664	0	2571	2031	2909	0	1833	0	2231	1497	0	2092	0	0	1115	0	0	2930	2726	2969	1474	1450	3585	2657	2850	2709	0	13523	21601	0	4477	8855	0	0	4036	2462	1862	3441	3147	0	5959	0	0	4242	0	1937	0	Organosulfur	0.41666666	1.5833334	0.083333336
10	C14 H15 O4 N3	290.11353	290.11398	0.16484076	290.1136	102075	0	92599	88754	62570	32934	65584	0	54068	116148	76145	67486	60126	36265	19963	87480	72932	79650	88037	67270	82502	143791	82348	145761	79224	97840	69282	73975	22820	50632	42904	0	71522	51182	77168	76811	72590	54974	96870	117862	144009	42366	1114	0	0	83999	93512	0	0	69906	65164	52660	38264	0	44580	18832	20404	103642	60007	85792	95394	77536	61080	26018	37187	68595	49382	30803	59670	129847	153297	56004	38698	50983	59130	68343	0	42030	76638	79851	64192	44080	72271	47158	57177	23888	87142	77800	66277	232369	95610	114379	185925	89022	132670	0	90889	94808	23922	40320	20140	95044	41022	99049	30742	87654	48046	0	97692	68288	Peptide	0.2857143	1.0714285	0.21428572
2	C14 H15 O4 N3	290.11353	290.1141	0.15254453	290.1136	43022	42111	35334	39747	21683	26769	32401	49030	19415	20224	19855	29926	26692	13555	23803	9309	59855	34681	31041	16715	30041	55581	36932	69769	16815	6718	4521	18703	0	23920	44396	35611	88692	37112	30173	30460	56722	24123	78564	15511	25465	27281	0	0	0	16568	15625	0	39999	25377	42292	39113	29025	0	20795	12114	13133	79099	6339	14517	11986	8854	26659	19630	17160	33714	32529	91488	11658	17249	18670	39988	28734	16334	6093	28245	0	28833	53000	24853	45747	11095	8036	7509	15022	14781	51064	48343	36573	246508	24796	27554	120670	18324	5880	0	37738	40522	14765	15208	13479	50529	25306	11651	10749	96901	11462	0	44202	31333	Peptide	0.2857143	1.0714285	0.21428572
16	C12 H19 O7 N1	290.12344	290.1238	0.13536036	290.12347	11954	7523	10443	10668	25561	17938	8234	8813	31179	4689	5009	10636	32230	14502	14296	8891	22724	45533	38469	7282	9920	5892	17457	6522	6461	0	9447	6714	13572	9121	11153	12763	20507	14343	5439	12345	15791	10838	18209	5237	10585	19375	2274	1906	3159	1974	4202	2084	13168	11029	11916	11330	25030	1933	37327	31272	15258	12229	5650	10660	10351	4798	24432	30931	14776	23712	18413	13266	3087	0	3572	11153	12691	9832	13882	11935	2361	10197	7741	6468	6207	5304	5895	2763	22756	16730	12040	16906	17824	0	12964	10905	0	4387	6067	2442	8829	15687	20335	41873	57732	24622	11312	8244	0	0	32470	2004	7066	28299	Lipid	0.5833333	1.5833334	0.083333336
10	C12 H19 O7 N1	290.12344	290.12384	0.062097423	290.12344	126985	106449	115968	101868	229940	174542	60014	113569	273452	74447	73608	70907	443983	105933	109614	123251	91450	441995	358167	101016	122384	71455	104164	88078	58660	20442	42344	277748	141535	113462	96084	107796	149145	113216	82001	131498	142041	75135	79402	46949	57475	175806	8790	1701	2467	57199	59930	1900	100691	87501	109980	109726	192808	3425	409220	245770	88831	119565	74032	65774	129198	36106	234658	272368	92285	264422	139087	73995	42456	32835	37611	89732	112649	143219	91167	104881	1756	75312	71738	54422	57667	39067	44501	21770	275115	153228	86718	120099	156936	48955	93533	134254	89487	55078	66315	3152	118859	157549	188913	208865	276326	165545	71670	103297	34220	83392	284482	1936	51441	347663	Lipid	0.5833333	1.5833334	0.083333336
14	C12 H19 O7 N1	290.12344	290.12384	0.1263329	290.12347	23462	28361	28760	33582	56758	52018	22754	31522	88882	13327	17835	21192	117190	36825	35138	29685	55992	112190	86242	22439	45656	16215	34816	18903	22476	5156	16879	18636	41286	30441	23102	29495	58832	28616	17481	38208	41238	26958	40656	7428	19434	46250	3083	1349	1985	17093	15216	1733	24635	23533	27606	29524	52006	1826	122812	71877	24316	31861	17972	21335	22542	15606	68367	79849	29625	67037	52856	31496	0	11636	10005	20047	27565	35461	33794	23052	1315	26727	18333	23184	15155	13088	11876	6169	86675	42513	24829	37693	38190	23134	33233	33033	33310	24495	23609	2470	27663	49000	58252	69666	85572	60475	23269	26938	0	20394	74482	1418	14270	85027	Lipid	0.5833333	1.5833334	0.083333336
12	C12 H19 O7 N1	290.12344	290.12387	0.09230189	290.12344	49865	51086	64924	52939	156044	118549	55623	79485	187921	40666	44293	47884	267817	77484	73235	46393	82446	303662	245829	74500	98103	40095	80035	41804	46899	16815	26132	53354	96650	52533	63082	58967	106415	66280	77069	74345	84036	56779	73593	33701	47685	111003	5299	1349	2207	38823	28162	2025	51253	42368	60374	49129	148231	2350	330914	189835	84170	58741	47842	50990	42555	32519	186453	186792	61752	196748	107589	55839	24687	23570	36984	48052	65803	68906	40817	51628	1318	59097	48978	62005	41048	29599	38250	23244	167566	98530	71037	66269	102000	48439	48949	75438	65348	47253	20534	2009	62541	83162	135806	156664	193063	86430	53568	38317	19898	59013	204552	1898	37273	237146	Lipid	0.5833333	1.5833334	0.083333336
0	C12 H19 O7 N1	290.12344	290.12402	0.054057244	290.12344	6598	7698	6379	7991	12249	20956	2093	11205	7333	4249	0	4054	17503	5759	3221	0	3076	20512	11985	5718	11171	9344	4606	7372	4168	0	0	1228	17949	4365	8587	12230	23152	22619	6834	14393	14318	2659	3156	4872	1445	12373	0	0	466	3989	0	0	13324	6264	7801	9507	10966	355	8328	3399	1949	15001	2936	939	4057	824	14364	9605	3167	16906	18594	2692	425	2073	0	18510	17696	11585	0	12971	376	4286	6258	1222	2448	1196	1941	0	2189	1956	5956	11516	14466	2610	9795	9158	12102	1529	0	0	7182	7112	2383	2933	2081	9404	2566	5968	1032	13571	2713	0	2221	34413	Lipid	0.5833333	1.5833334	0.083333336
6	C12 H19 O7 N1	290.12344	290.12393	0.12000474	290.12347	117662	113300	107453	111084	120272	171768	77031	210335	132976	34089	34203	90437	220255	93344	227487	176485	70206	232866	206574	47383	58792	89072	174797	247457	90971	5871	64831	39908	202835	122969	127344	226935	202860	221704	36367	245900	155395	229698	74539	19188	22689	194350	3537	524	912	73000	40168	484	162111	137839	107557	105016	122578	1670	193874	150609	122273	165765	41001	42090	142982	19273	184339	124403	95187	170472	170753	67155	19437	21434	17675	112856	142740	211479	41433	82297	684	115983	82365	31822	109317	31739	26432	11950	149656	171034	129775	125811	160707	69918	48751	62972	222954	28515	31221	1336	119952	115806	90938	113867	164727	246556	129965	56776	19597	139654	147069	535	69861	187215	Lipid	0.5833333	1.5833334	0.083333336
0	C11 H19 O6 N3	290.13467	290.13522	0.038105477	290.13467	5861	5125	7360	5473	12260	27733	0	11036	5159	0	0	2949	16545	9056	2922	0	1735	15001	12234	0	3308	5902	5130	7006	5566	0	0	3961	17601	2818	10775	7906	25943	9479	3395	9678	7941	2853	3152	0	0	12895	0	0	0	2369	0	0	8063	3296	6065	5300	12731	0	6101	2987	1885	14312	948	710	2785	0	22643	5987	5914	16199	24746	3243	0	0	0	9119	11225	7385	0	6672	0	3382	2033	12576	1577	0	0	0	3378	1639	2888	7043	13913	3688	51300	14012	11787	3444	0	0	6267	3872	1951	3173	5096	8570	3349	0	0	11917	3059	0	1782	33523	Peptide	0.54545456	1.7272727	0.27272728
2	C7 H20 O2 N7 S1 Na1	290.13696	290.1372	-0.39503953	290.13684	130533	124384	113882	112227	52505	62577	74824	150319	48094	225292	115533	79779	51883	38086	87002	131055	136197	81532	99094	235744	265733	154236	86346	129153	64544	205859	72440	88468	139353	113389	120488	141536	154373	114173	248190	135780	153486	69848	146075	170576	183474	78416	1602	1051	1399	90723	137580	1223	154827	123687	108406	113687	61638	1215	82621	28198	30116	126330	28246	63512	116129	84599	54746	68462	29790	60908	81535	166982	189277	239369	302555	118858	119730	122874	150429	119452	954	75644	92130	79461	75519	51347	52844	99751	34094	36569	81569	69554	77851	148328	92365	94128	172168	101989	182620	3083	119635	126711	37405	26095	28607	141364	71017	169157	63345	119247	29986	1328	67919	61517	Organosulfur	0.2857143	2.857143	1.0
20	C16 H19 O4 N1	290.13867	290.13904	0.1336964	290.13873	53571	52255	59001	55167	46757	45836	46946	51113	37600	79485	71449	32609	41609	59776	34282	61723	45977	49804	56998	86151	111788	80310	37430	62792	41759	104182	72923	73474	53942	41142	45832	43987	75752	50577	101142	42371	73429	26636	49148	95273	126335	37340	3244	3099	2687	51818	68075	2562	56400	42016	50361	54273	47275	2369	31842	23644	27686	60495	39010	46427	62759	58916	45195	27807	25438	53469	38056	50617	108503	118810	161721	41092	37848	31084	37568	45132	1928	31519	43900	84705	35757	35271	35093	62516	34423	29803	47602	43874	43955	58492	84891	80257	84470	81097	76116	2787	56960	56506	31893	30438	31239	58690	32370	55212	32300	55504	26292	3014	40058	56582	Phytochemical	0.25	1.1875	0.0625
6	C16 H19 O4 N1	290.13867	290.1392	0.114527725	290.13873	253911	273258	248806	262223	120475	135836	128303	315776	102244	590674	302515	110802	105719	68994	122283	272698	284512	163540	209611	582259	704272	299671	130623	212553	116572	609960	122687	234682	350852	224190	208902	403825	314714	366941	664094	314123	292960	112541	317389	324172	462607	195853	2088	1074	1302	236576	291402	1345	500357	287965	272998	276388	161735	1392	142092	58045	64930	235970	37966	130859	245615	230047	119238	99075	53946	171089	227456	427814	542504	774208	1014009	199749	224923	151267	342034	234043	1181	111490	134070	144001	128168	105110	76138	278699	76505	76912	149037	155540	180791	226785	151113	142967	239169	243029	388387	1580	252300	219630	69234	56121	67786	289856	105925	208301	130806	169966	71684	1060	132286	147277	Phytochemical	0.25	1.1875	0.0625
10	C16 H19 O4 N1	290.13867	290.1391	0.09078311	290.1387	161557	149220	145300	139753	82695	70856	83824	124024	69551	311607	160989	79316	72738	43543	77914	148326	125505	99455	130796	351108	416817	236946	84423	144455	78962	425214	86917	148088	107415	101168	91670	125880	161834	107203	327860	104531	146676	75088	154213	303844	373906	84428	3536	2121	2376	134866	176739	2203	132573	98438	144783	154266	76575	1950	97086	42918	65844	139490	55241	132840	146828	156615	76591	75174	47266	179584	222567	167528	368238	492777	632137	102898	96313	88235	128622	104853	1624	74862	97981	128210	78489	96762	80520	171797	60928	49401	98524	86424	82282	230402	150187	146603	231826	175368	315596	2881	148382	148648	53767	43360	49170	144344	69012	150137	63647	123929	50533	1722	86655	89070	Phytochemical	0.25	1.1875	0.0625
4	C16 H19 O4 N1	290.13867	290.13922	0.15086897	290.13873	197720	225616	205522	211437	109432	92905	104892	212674	94624	469347	223394	116875	105002	66450	121269	226146	203880	141779	180742	486605	557347	343573	162150	267048	92950	475677	110528	201522	159212	141691	153539	177888	227388	156268	610564	171161	203842	118070	214880	380792	414594	105921	2676	1351	1784	244510	306745	2187	199457	203073	209306	171642	112331	1342	157464	52387	56793	197507	42607	105018	218765	221977	120406	123398	40805	114981	100423	201731	424620	621044	748803	151315	153953	159932	170515	153087	997	115921	150286	161271	137528	112775	102697	236401	68569	61415	148567	110859	110156	206079	181560	162178	259825	237972	414353	3532	195865	233434	71943	55852	54861	206483	105992	272159	140968	154512	62453	1664	111619	118265	Phytochemical	0.25	1.1875	0.0625
16	C16 H19 O4 N1	290.13867	290.13907	0.13731377	290.13873	178861	178030	182468	183796	98112	83528	117800	143008	80649	389460	254436	84095	76033	68613	110596	168091	127856	119742	144774	408785	464447	285975	93086	171791	104849	476520	99092	243668	136585	115593	128016	139206	180949	131680	405688	131199	189535	87232	152599	367604	476056	84171	3954	2101	2529	155044	170388	2237	170381	125960	170358	179680	102269	2518	75154	54235	55574	170995	87705	140547	167038	224510	100296	71125	53328	112308	101668	133304	408849	598382	755215	138967	116504	113692	120966	121820	2763	78047	105799	226641	78018	118961	103843	259745	72236	56048	129635	117043	98579	204169	203688	221356	231812	235291	365667	2770	180544	164385	64262	57830	67211	181274	75294	143793	80486	153509	67819	2113	120349	116665	Phytochemical	0.25	1.1875	0.0625
0	C16 H19 O4 N1	290.13867	290.13925	0.020033214	290.1387	11278	13949	12229	10309	5153	0	11334	19570	5974	11985	9245	12652	5152	4785	13136	6324	21682	9662	9977	11025	24313	10732	13447	9702	4998	20866	6454	8161	16416	8645	12430	12786	16231	17676	20413	21439	18403	10605	20742	11128	16796	7484	0	996	1595	8194	10786	1123	15100	12925	12313	10325	7792	1070	9412	4053	6091	16344	6676	11790	8987	9670	5763	6902	10415	6172	12716	21064	15230	16299	19695	14937	18866	13349	6188	17700	1098	10758	13613	5949	10889	5292	9398	6982	6184	6761	11842	8663	9436	13098	7474	9811	19108	11174	7574	1193	9294	13835	4948	4076	5085	12145	7957	12955	8390	15630	5604	1200	10468	6454	Phytochemical	0.25	1.1875	0.0625
18	C16 H19 O4 N1	290.13867	290.13907	0.14949322	290.13873	122962	118873	118192	106956	75761	62425	57622	85033	46921	221752	156583	48552	59432	58283	57977	116884	90502	98048	91119	255103	250772	183237	58801	113348	63094	283477	58172	165105	77548	62199	71809	77203	116701	82875	213633	75547	125027	52624	98610	244121	291883	62396	5085	1879	2456	97559	117513	2128	100982	67937	104410	106155	66601	2174	68652	44511	43074	99461	62125	95076	91250	157951	70116	60259	30237	88682	72939	99983	268094	284767	431578	69646	63918	61192	71618	69708	1600	45567	76880	152429	62526	87228	65651	154389	51240	45719	87372	90236	66618	145043	152142	156173	144488	152698	205986	2381	112656	102443	48868	50216	52607	112934	46865	103141	60982	95586	45137	2101	58707	71600	Phytochemical	0.25	1.1875	0.0625
14	C16 H19 O4 N1	290.13867	290.1391	0.11637012	290.13873	216801	223625	199152	198111	93156	77779	113287	120322	79785	580020	324742	92806	82842	61383	78138	153995	158816	112142	119637	541492	633920	348450	81520	153398	83719	590440	102097	319275	96934	111582	100928	133761	160053	118976	551574	115823	157293	82149	181154	535150	633528	80535	3286	1871	1599	176671	222570	2109	147221	106364	200674	201066	94773	1688	91810	54749	64813	182184	93385	199855	120167	291048	96476	85640	50869	102642	95186	172386	484880	800608	1051600	117160	97823	82228	117598	115368	1391	80681	108390	210715	99801	127615	139724	353165	66007	55245	126828	102001	99738	289801	239573	253362	227398	266026	415658	2488	198426	183108	61525	72321	65459	138020	84257	190937	82497	147702	59564	1872	114996	96809	Phytochemical	0.25	1.1875	0.0625
22	C16 H19 O4 N1	290.13867	290.13907	0.15121175	290.13873	17143	16068	16229	17331	22945	15761	12448	17363	13091	26714	26201	13006	8266	11382	17065	15754	16536	22217	13822	17445	22913	28286	16389	22793	15942	11732	9209	27120	18181	14983	17084	15731	25711	18567	18288	16860	25200	9812	14372	23654	42407	19186	0	0	2796	21569	20693	2847	18288	12231	19629	18258	16483	1921	11667	10289	10148	19927	11651	17250	17860	19473	13795	14017	9854	19288	16083	16635	17778	25848	25980	16977	13608	13636	11279	17688	3274	11384	15873	26681	14030	14104	11124	19895	11591	11338	16654	22246	16713	20757	28669	27380	27013	26206	22644	0	19868	18560	13755	14444	12169	25231	12003	18655	15505	24184	15490	0	18898	18424	Phytochemical	0.25	1.1875	0.0625
12	C16 H19 O4 N1	290.13867	290.13913	0.1016445	290.1387	149470	164971	165010	159846	70796	53866	103569	125675	60899	344166	200326	69657	45956	36298	63241	148300	134405	99073	112618	370345	458230	248929	80101	146303	75610	429609	88239	156511	103999	97116	88614	121425	129383	102560	359488	108474	131575	68681	172410	324500	462316	72424	2761	2191	1392	153083	211777	1872	140461	108307	160702	163582	74460	1672	93536	41988	48897	153713	63931	146849	126923	201347	83784	69618	38817	91230	67435	156280	407892	561999	763700	91033	86629	93118	127304	105637	1279	70614	92106	161489	81809	115237	102040	202034	47371	44041	106075	81186	73838	229294	190832	189716	206747	173825	302939	2390	170617	174798	58260	37616	41913	148953	69414	157578	82608	122020	59478	2003	90941	92181	Phytochemical	0.25	1.1875	0.0625
16	C13 H23 O4 N1 S1	290.14206	290.1425	0.20823391	290.14212	0	0	0	0	1563	1472	1130	4678	0	0	0	0	0	0	1505	2751	10665	0	0	0	0	2823	1486	2829	2800	0	0	0	0	3166	1589	0	2484	0	0	1680	0	2437	16067	0	0	1535	0	0	0	0	0	0	0	2516	0	0	1542	0	0	0	0	2873	0	0	0	0	0	0	0	2017	1819	14686	0	0	0	1554	0	3063	5242	0	0	0	1845	0	1948	0	0	0	0	0	8688	1847	0	61178	0	3025	0	0	0	0	1971	0	0	0	0	0	0	0	0	0	995	0	2152	0	Organosulfur	0.30769232	1.7692307	0.07692308
8	C15 H19 O3 N3	290.14993	290.1504	0.07389473	290.14993	36110	41716	32352	35825	9024	10524	22395	35723	6060	34068	27541	19685	6155	5823	22629	40640	34395	7834	16310	36484	41199	47120	24218	46264	25688	20100	20538	60756	24233	27427	25402	31692	31124	29880	38068	27947	32589	23826	38400	47411	47920	14326	0	0	0	31334	42672	0	37814	29856	32432	32318	11032	0	6289	1553	7517	36595	12144	29043	37613	24388	6161	6379	10988	9947	11494	47576	17643	28827	36790	28954	26182	24468	24476	29508	0	19575	27819	144666	26971	21146	21611	32840	3664	5517	25228	17312	16934	74074	205335	211073	74096	59327	50780	0	34462	31563	6524	2635	3457	28900	20351	39552	8373	38621	5645	0	30733	8783	Peptide	0.2	1.2666667	0.2
6	C15 H19 O3 N3	290.14993	290.1504	0.06338366	290.14993	39699	46961	44494	39286	10545	13992	28290	45538	8722	47585	30520	23544	6931	8076	29293	60250	40334	14374	23974	54693	54325	49737	28354	62513	30300	28342	25553	53809	38716	34392	35949	41239	44720	40593	53995	34651	41867	28111	53558	44544	55497	19091	0	0	0	39722	47900	0	49020	38553	43790	38618	17981	0	9105	4825	9253	49918	13177	29051	45830	26901	7068	6433	10332	9875	22534	58396	23859	37061	46724	37418	35971	29664	30469	31815	0	25336	32200	88251	29974	19477	21666	38628	5269	11629	38927	21812	21972	90914	583963	538536	82935	48425	60279	0	43015	43456	7044	4358	5025	46893	23412	47436	19966	49717	8297	0	37623	8223	Peptide	0.2	1.2666667	0.2
10	C15 H19 O3 N3	290.14993	290.15033	0.06259935	290.14993	22246	20710	21508	20625	6686	7693	18689	25197	3190	20104	12230	17256	3265	2990	15627	32742	27623	6486	10947	25712	26649	28162	15034	35346	18962	18906	17676	13778	17755	22836	21488	24145	31908	28534	20603	26954	27369	18756	41871	26005	45540	8049	0	0	0	19258	26793	0	26989	21760	21337	24263	8541	0	4113	2588	4732	30371	15625	27539	27764	15316	1851	4509	5812	5624	9274	38016	12490	17091	19789	27553	23981	24551	23681	25633	0	16635	23782	23273	23427	12666	18777	16217	4090	5021	27215	13099	12787	54242	43657	28002	52479	21456	30622	0	24653	19881	5413	4887	7091	24551	16054	32668	0	30364	4729	0	24066	4442	Peptide	0.2	1.2666667	0.2
4	C15 H19 O3 N3	290.14993	290.15045	0.084662326	290.14993	25076	25167	24632	25032	10134	14283	18780	26760	8754	38711	20383	16670	6062	9828	25359	34880	36788	14650	20277	39636	46522	38572	23960	33778	27937	27804	20649	19938	25217	18209	20390	23921	26747	20775	46152	22212	27176	22737	44696	34571	44154	14794	0	0	0	27310	36774	0	26717	26166	27419	24024	13364	0	11596	4803	10810	28563	6198	17527	31915	21817	8532	8470	8706	11606	15052	41212	26202	35313	44955	0	18999	19818	26338	18466	0	17256	29545	31315	28042	13125	14825	24031	7392	9941	29806	18847	16058	60292	41863	27163	62610	25370	39005	0	22632	31881	6871	5405	5725	27872	19403	34839	22331	28107	7325	0	25349	8407	Peptide	0.2	1.2666667	0.2
12	C15 H19 O3 N3	290.14993	290.15033	0.061278913	290.14993	8896	11826	12324	10116	5508	5401	12011	13407	2279	9852	6296	12678	2457	3353	9998	21398	24606	5998	3528	13023	13346	23183	14588	20476	10949	8171	9777	0	17798	13489	10014	13656	19436	15378	11064	15774	13733	12658	28625	16014	23029	9225	0	0	0	10362	11506	0	15683	15457	9216	10281	6917	0	1768	1816	4448	19211	4890	9775	0	8540	2009	2668	3371	5843	8770	24271	0	11497	14264	17529	11005	13495	18799	12684	0	11660	16129	16654	11506	8201	10314	10612	1910	4270	19207	8438	7638	43631	19916	14761	34430	14646	15503	0	15250	12388	3691	1710	0	15955	10924	11241	0	17297	3219	0	17872	4478	Peptide	0.2	1.2666667	0.2
4	C18 H20 O1 N1 Na1	290.15152	290.1523	0.62835383	290.1517	0	0	0	0	0	0	0	0	0	0	0	0	404	0	0	0	0	0	0	0	0	0	0	17514	8776	0	0	0	0	0	0	0	481	0	0	0	0	0	0	0	0	0	0	0	0	1583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	588	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25304	0	Phytochemical	0.055555556	1.1111112	0.055555556
14	C13 H23 O6 N1	290.15982	290.16022	0.09469589	290.15985	55221	45473	46477	51339	73855	74333	60706	75193	65414	16038	17374	30175	132474	84389	59974	62943	81864	131872	127558	43271	43148	26078	50708	42982	62885	30322	50894	36038	136820	91684	59637	78123	124655	82909	23919	113690	84635	41128	66002	10746	9892	77493	21115	1472	1666	29063	15309	1671	66659	44201	39740	42291	71824	5460	106418	81232	32751	80990	27156	23742	66201	10808	79649	64929	69252	102875	92984	55900	0	16847	8328	58558	72422	107730	70256	65988	1343	45323	31409	40840	27900	25861	76069	49006	84946	71851	57599	52280	73707	23435	62807	47166	45891	16399	27268	11756	43482	75680	59961	84451	112452	119314	35661	48384	23163	48043	85022	1644	36012	82013	Lipid	0.46153846	1.7692307	0.07692308
6	C13 H23 O6 N1	290.15982	290.1603	0.06713648	290.15982	25055	24734	26191	25122	21495	16530	26185	35394	23079	9620	9765	17903	36613	14586	22793	31752	39316	36604	34989	17917	16822	19296	21361	31635	16434	4920	18389	11323	47677	41449	28533	34050	40838	33474	18774	40396	42691	20484	41523	5336	11358	25007	1553	0	0	19190	16091	0	44669	26044	26518	23730	19460	540	37502	31402	12535	28410	16009	17944	33507	6503	27932	17306	17700	27138	26940	39935	4430	6477	4725	25558	28117	33072	21291	26126	0	14334	26236	0	16840	12187	31820	17699	35406	25682	42032	18479	23226	49062	0	22840	36624	8562	11353	617	22457	30062	16208	33982	52763	51216	16934	25861	7659	24650	30966	0	21252	35464	Lipid	0.46153846	1.7692307	0.07692308
4	C13 H23 O6 N1	290.15982	290.16034	0.12908897	290.15985	15330	15184	14844	14216	15551	14780	9827	17285	16971	6845	5098	9493	29107	15607	9838	15538	15511	22402	22306	10809	8478	15224	14033	17446	10236	1491	9960	5804	17598	14805	16127	16347	20748	14076	12636	16315	16884	9842	16201	5402	5142	12876	833	0	0	11139	9344	0	21931	15805	12990	13206	16656	305	21715	14363	7984	21535	12931	7908	17288	3493	25076	15039	9879	22457	12326	17195	2083	3720	0	14133	13143	14084	8611	13192	0	9644	11456	9369	7287	5519	8244	1929	13927	13145	13702	11589	14125	12906	27297	20243	21546	4902	9216	499	13907	19857	11072	15700	17255	20652	8893	13737	6420	13908	14459	0	6431	30784	Lipid	0.46153846	1.7692307	0.07692308
0	C13 H23 O6 N1	290.15982	290.16037	-0.10253746	290.1598	15102	14455	13356	10583	11184	14955	4416	19711	10863	4366	2186	10195	14109	7508	9821	3836	8420	22739	18680	8980	9874	9626	8916	8919	4897	0	0	2867	81589	36209	39562	28166	83484	38287	12278	40569	29187	7316	9842	4322	0	12813	0	0	0	4167	1803	0	86900	8531	12029	10665	15290	0	10236	5800	3199	26245	5101	2730	9505	1510	14883	15386	9101	12340	25947	8384	845	2610	0	24582	41087	18949	0	45083	0	13452	4024	3745	3491	1543	2051	0	7353	6395	5810	9462	30796	7588	10279	8806	12156	2912	0	0	12884	12372	4614	6294	8270	18155	8105	9428	1917	15879	8627	0	3612	22970	Lipid	0.46153846	1.7692307	0.07692308
16	C13 H23 O6 N1	290.15982	290.16022	0.1080768	290.15985	39295	34155	42539	40826	67393	66053	49597	44455	50679	15331	20085	28037	95927	122965	57403	41651	40206	116638	104544	25188	22132	13217	36616	24270	60571	8964	38729	42684	96466	57394	48803	61603	79208	58972	16871	75301	73891	35119	37744	9774	8741	63086	8110	2123	2362	13076	12220	2216	57801	39981	42261	37276	68074	4100	88600	57885	30863	46458	14076	17383	48729	5744	61469	54110	53882	81609	74028	35507	6652	7091	9585	42481	61637	84132	38663	48441	2303	29688	18965	32580	13373	11087	58316	31307	60685	51072	29201	43289	54697	0	40055	39069	0	16002	16749	3336	33608	41636	48706	44871	73823	79484	24515	28165	18276	33123	65406	1744	19577	73607	Lipid	0.46153846	1.7692307	0.07692308
12	C13 H23 O6 N1	290.15982	290.16025	0.09120244	290.15985	38919	38978	46372	38331	67742	67555	117795	113671	51436	18473	20698	47836	86242	78616	79301	43649	117233	113722	116890	36338	42642	25374	70389	37827	82603	38631	31002	37724	154635	55286	82343	64774	99316	87552	31120	97605	73788	60979	109640	12219	15864	71928	10100	748	1412	37835	25384	1015	70244	53529	45684	38208	69099	2497	87996	55536	36871	77171	38741	36066	41292	12570	67072	58499	61289	93975	91341	93153	0	18548	17089	62194	85090	83557	34963	58668	695	61784	48914	35452	37524	26958	163242	100061	65251	68708	76288	50505	70209	56022	45593	57498	76277	21264	8824	5184	43752	65437	44600	61212	85179	64591	46592	24509	19919	73531	65997	972	52745	71714	Lipid	0.46153846	1.7692307	0.07692308
18	C13 H23 O6 N1	290.15982	290.16016	0.10262737	290.15985	10385	12104	11074	9400	23604	23993	19317	12678	13879	0	4803	8686	38346	28480	21801	14328	20232	43848	30771	5825	0	2243	10645	7318	15931	2114	13967	16963	33756	20178	13311	25724	20534	17594	2730	25294	21718	12124	15262	2689	4619	20133	5129	1415	2370	2203	2888	1275	17987	12109	12616	13879	20008	2354	29403	19245	12701	15686	4460	5983	16771	1809	20529	16220	17505	28168	21653	12260	0	0	0	14164	20293	34159	20127	18409	1711	10619	5452	12319	4275	2094	11269	3050	19992	19884	12839	11853	21951	12684	14834	9291	7679	2437	5196	2369	14944	14451	14236	18168	29427	27009	11107	9834	4253	5891	22325	1343	6743	19609	Lipid	0.46153846	1.7692307	0.07692308
0	C12 H23 O5 N3	290.17105	290.1716	-0.027397905	290.17105	12187	9523	11906	9568	7042	37990	2821	11386	5316	2115	8757	3155	9861	7321	3937	0	3849	20406	7351	1828	2577	6107	4860	5429	6682	0	0	123427	25458	3324	13411	8038	40077	10564	4574	8445	11913	3530	5874	1112	0	16959	0	0	0	2265	0	0	8317	3967	10367	9439	8343	0	6721	1982	2181	15460	1602	745	3809	0	12111	4010	6889	13607	19002	4614	0	2071	0	10986	10611	5454	0	7081	0	4607	3482	380332	1877	823	0	0	2731	3969	4269	9236	11110	3873	215805	103420	9633	67523	0	0	9198	10878	3014	2289	3727	8275	3389	2846	0	10718	3334	0	3595	23759	Peptide	0.41666666	1.9166666	0.25
2	C12 H23 O5 N3	290.17105	290.17163	0.16597484	290.17108	33286	35329	32655	32663	3471	77803	0	4804	2397	4775	38879	2784	6050	2624	4462	2368	4637	11733	5239	1408	1134	6431	2026	6584	3378	0	0	430356	8552	2906	6381	4867	12088	5863	1954	3812	9003	4101	5708	355	396	17367	0	0	0	1198	840	0	7012	2710	32278	30686	4400	0	4115	2388	1934	10000	396	283	3007	0	5843	2393	2910	7830	5886	5305	0	782	609	6498	4816	3305	668	3726	0	2566	1563	1774484	1247	0	0	0	2274	2657	2833	4851	6904	9018	872462	647266	8706	287997	2964	0	33021	31045	4763	3123	3335	5534	3636	2750	291	7966	2337	0	2054	9351	Peptide	0.41666666	1.9166666	0.25
4	C12 H23 O5 N3	290.17105	290.17157	0.27458254	290.1711	0	662	716	1050	342	921	425	808	414	0	0	0	0	0	843	594	864	577	652	0	0	826	868	961	844	0	0	4157	0	0	0	729	603	0	0	0	480	545	0	0	0	425	0	0	0	0	0	0	0	0	430	887	439	0	642	398	421	952	0	0	0	0	697	224	0	0	296	0	0	0	0	0	722	0	0	343	0	0	0	31307	0	0	392	0	332	559	1236	443	453	1681	10203	5653	2788	4947	0	0	793	804	790	0	490	0	0	0	0	809	412	0	525	1368	Peptide	0.41666666	1.9166666	0.25
6	C17 H23 O3 N1	290.17508	290.17557	0.048624378	290.17508	122465	130284	131332	132420	32640	39769	94556	205743	22074	263092	113291	99461	20865	21689	232020	201806	106992	52969	75685	279496	294254	118185	76626	158850	78105	184744	115965	97598	156572	148086	231709	184743	193853	154313	305709	147506	198818	144024	138314	143276	80578	46574	0	296	0	87320	84340	0	241008	151583	132032	127476	49127	307	29623	10050	22132	200556	1700	16536	210549	63131	28738	23340	21780	38113	57905	170156	129447	259591	264434	175091	143829	149688	124407	144545	237	158776	58315	68345	56719	12706	13651	122650	15344	21088	73827	49273	63637	184649	150013	39938	206885	87236	188745	423	122125	118339	17624	9383	11460	176115	120275	118066	36581	140910	23211	0	61455	31681	Lipid	0.1764706	1.3529412	0.05882353
18	C17 H23 O3 N1	290.17508	290.17545	0.13119078	290.1751	39075	40897	32728	36970	19318	16715	27342	27999	10700	60756	52749	25319	12668	12219	21083	48422	50795	17807	17714	73414	79508	48450	20427	39737	21819	107443	31067	46786	26764	34971	29100	31565	35132	38976	58901	29010	36397	18850	55426	70452	100350	19481	1509	0	313	37016	57274	603	35750	33063	35302	35613	22662	0	6472	5071	14079	40554	13159	47153	42854	35880	12695	12360	9976	21822	20499	62607	88846	87581	141916	34054	26479	29526	42005	30583	294	15867	29489	46874	19130	29657	24291	47623	14509	12440	37428	27715	19031	81264	54436	55174	56128	47282	60368	519	44327	46144	14398	10834	15739	39521	20982	40444	26710	36875	10288	0	35172	14902	Lipid	0.1764706	1.3529412	0.05882353
22	C17 H23 O3 N1	290.17508	290.17545	0.13006252	290.1751	44561	42185	43249	38357	49758	27204	20602	33612	24575	99080	104121	19166	19250	20165	17641	38828	39002	25956	29891	122767	125649	56335	17228	34605	19552	110677	19426	112774	41298	34331	29604	38795	42751	40583	95851	37249	42815	16067	38237	72648	106009	22623	0	0	0	44567	50912	0	36705	22712	42530	42677	38677	398	22541	16093	16086	39545	24197	43427	34661	55799	19473	18137	9414	29873	32307	42150	93987	116794	137204	35823	32889	32804	21472	37238	497	22787	21893	56088	15577	28849	27187	62574	30164	15022	30011	28136	23615	46613	68464	71391	36691	68785	74341	0	39292	46660	22778	21646	23593	45016	17770	47712	31958	35781	26738	0	24332	33184	Lipid	0.1764706	1.3529412	0.05882353
24	C17 H23 O3 N1	290.17508	290.1754	0.14763543	290.1751	14540	16390	15294	13067	42573	14038	9863	11284	11862	23888	31493	13943	10631	7429	9278	20804	18763	12332	12818	24789	29415	12231	9754	16310	8958	18712	8686	29456	13217	15095	11173	14013	14375	15336	20678	10471	15404	8123	19297	15816	29685	10588	0	0	0	12526	19480	0	17698	14887	14727	14380	29578	0	7550	6615	5993	15855	13476	27865	20016	17510	4902	7151	5241	9877	12399	21461	18276	10990	20433	11192	12761	9902	11450	12383	0	9282	8330	18426	9898	11725	17484	17368	10812	5709	12196	9492	10886	22801	18114	19957	13636	17543	23229	0	11783	15201	21025	9011	7948	22948	8991	18696	13173	16795	44983	0	15468	13471	Lipid	0.1764706	1.3529412	0.05882353
20	C17 H23 O3 N1	290.17508	290.17545	0.11469205	290.1751	46024	42216	43514	44178	25543	24156	28379	32737	17132	79601	74916	24186	16248	23766	24345	56044	54485	22480	26801	93239	106797	55347	15659	47284	24403	113536	32006	69912	37618	35288	28222	39649	40057	44682	68603	45145	47721	20992	51996	66967	122821	21395	2671	0	290	42461	65958	651	43074	33833	46363	42300	30664	651	13278	13213	18390	45331	22480	49470	40818	46868	14189	7505	15336	26193	24853	57108	78890	102303	141576	33305	32550	32525	48746	36675	339	22359	27098	60502	21916	33602	32843	59927	16035	15329	33267	34863	25657	84110	75879	57153	60357	54205	63073	0	47863	40846	15670	19577	21490	53928	20675	48798	28646	42128	17157	0	35334	18883	Lipid	0.1764706	1.3529412	0.05882353
16	C17 H23 O3 N1	290.17508	290.17545	0.12726142	290.1751	33577	34876	37558	31596	14566	11303	25380	26598	6064	59815	40845	17887	6296	9433	15555	36365	45042	13260	20767	75997	76294	42587	14722	33071	22030	100787	29955	41893	21946	25699	20508	23641	38864	24253	55210	21214	25133	16248	51021	60036	99982	13941	520	481	410	30926	44156	406	30734	27893	32167	33058	16038	374	5894	7768	10981	36816	16062	43129	24071	30457	8681	8904	7166	12828	16236	51008	66221	83890	117993	21158	25958	26048	35037	28473	0	12730	16447	41937	17067	24399	24320	44750	12350	8081	30612	19728	17942	93358	49250	43987	54520	41316	66169	533	33883	27415	8686	8363	8393	35384	13138	28882	18789	34449	9662	329	23860	9290	Lipid	0.1764706	1.3529412	0.05882353
2	C17 H23 O3 N1	290.17508	290.1756	0.023715105	290.17508	112567	114090	104024	104625	5963	21407	97130	241903	6729	97854	52800	90898	4868	6956	90670	224516	204425	20466	32216	133219	119177	70705	74103	223473	98842	60854	117299	36112	213861	188360	163339	221800	149377	165459	96917	227940	155029	80605	209943	101782	73283	52934	426	339	0	58040	57980	323	275484	221103	98833	106210	28463	262	8149	3718	16865	156446	3577	13599	167326	46719	4187	7939	18046	19356	51751	267880	41121	60827	75196	149678	168802	201315	294577	174973	0	101307	89779	40199	95318	15951	28379	75316	6265	17811	61384	46336	65621	125321	78536	37035	163020	43236	128770	594	106317	117417	7248	2645	3393	162510	77035	169741	25184	128740	3724	0	93370	6964	Lipid	0.1764706	1.3529412	0.05882353
4	C17 H23 O3 N1	290.17508	290.1756	0.07501902	290.17508	154757	177257	170922	160066	41372	54033	121935	308827	20873	251269	99603	124653	22393	26228	129785	249690	188323	47953	69717	298845	289350	170589	100112	250877	144345	149849	135257	107523	301120	194151	250508	303620	316677	252689	326921	266633	299414	109021	215255	189804	107453	77926	0	0	0	104378	102336	389	407130	271424	173543	136328	85635	327	33607	18372	25875	240485	2849	8192	234832	84434	19350	27768	22749	54191	79218	242040	99424	218191	217355	216259	214025	250010	236476	211269	0	152504	107855	96225	108976	17029	24942	135530	15706	26261	100567	76490	97805	237203	183245	57784	316107	114048	244864	1011	157566	181016	18250	10366	13506	272435	118477	206530	41877	206979	18731	378	122273	25942	Lipid	0.1764706	1.3529412	0.05882353
14	C17 H23 O3 N1	290.17508	290.17548	0.09765494	290.1751	39093	38558	32764	41045	15138	13489	39284	30583	13699	66130	43681	22267	7548	6734	19379	44198	49807	13628	15441	65564	79548	41181	17982	40411	16816	86376	39754	32158	20971	27197	25620	29480	33741	22973	63069	26362	30098	18433	53357	62532	80859	13101	0	385	371	30210	39014	424	38749	32918	33572	32022	56708	0	11526	5273	12370	34357	9831	30664	32603	26267	11055	10540	11434	21485	16929	58616	60546	94502	117407	19616	18320	25988	37678	27989	0	19130	25666	20555	23947	14502	20900	50405	11008	9446	27371	15340	18434	93133	46099	31059	67818	32199	56279	0	36408	26711	6032	7179	11781	29171	19452	29083	0	39731	8700	372	28891	8440	Lipid	0.1764706	1.3529412	0.05882353
8	C17 H23 O3 N1	290.17508	290.17554	0.045100454	290.17508	73344	67967	66076	70174	31258	23699	52221	59639	22245	164339	84180	57524	17268	19164	37210	76948	56233	27122	47416	196300	191246	72107	37106	75175	33314	144558	75874	79572	55223	60764	71028	72905	74697	64951	207838	57596	76725	57826	64662	108934	68872	29250	717	396	290	56389	61600	0	94905	60202	61554	70129	24532	263	20603	6814	14114	84030	907	18193	83878	43819	21274	20881	20171	32317	33321	80098	99998	193315	199854	72066	62838	46484	65541	59625	233	45862	40610	53335	34185	9883	6762	79274	13132	7155	37221	33457	29740	108883	84258	22645	122349	64247	112884	0	71798	65627	15228	9461	8958	69648	48101	54091	13930	60979	12060	0	31419	30723	Lipid	0.1764706	1.3529412	0.05882353
12	C17 H23 O3 N1	290.17508	290.1755	0.12850948	290.1751	126933	125706	113090	125998	13010	13344	532758	38600	14224	59746	71865	70187	7170	11188	17959	57619	37821	12859	18750	86691	82075	36821	18953	43458	18440	81197	3701305	26985	30071	33923	30633	45049	39651	28815	82024	27898	35749	34619	43787	48311	55614	13442	561	369	257	34143	36039	420	45921	34201	118162	104918	13939	364	11911	5811	14073	80064	0	13057	35441	17048	8312	13626	9639	17177	18386	45578	52307	90760	115259	35099	33749	30607	41045	50747	197	62116	20402	17420	21100	9709	8458	33620	11060	6935	27380	15715	12732	93228	41630	20538	81866	23128	54095	533	114384	62932	9383	26288	24465	36515	256625	24655	0	40794	7048	0	26524	10897	Lipid	0.1764706	1.3529412	0.05882353
6	C16 H23 O2 N3	290.1863	290.18677	0.09342683	290.18634	2010	2883	3061	2652	545	0	1665	3213	0	2949	1170	1539	0	0	1672	3959	2780	0	1218	3780	3094	2670	1909	5375	2771	1743	1662	0	3470	3336	2269	4517	3675	3746	2696	1826	1476	2220	4296	2620	1123	738	0	0	0	2214	0	0	2243	2747	2568	2583	482	0	0	0	648	4656	0	0	4951	0	0	0	0	0	1082	4998	1597	1453	2608	3337	3580	1895	3572	2348	0	1270	3165	0	2746	0	0	2493	0	0	3973	1665	1294	32373	0	0	10105	2572	4447	0	1705	2617	0	0	0	2647	1278	2298	0	4412	0	0	3920	715	Peptide	0.125	1.4375	0.1875
24	C16 H23 O2 N3	290.1863	290.18634	-0.005135035	290.1863	0	0	0	1162	0	0	0	0	0	1214	25673	0	0	996	0	0	0	0	0	0	0	0	0	0	0	0	0	28448	0	0	0	0	0	0	1887	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7580	0	0	0	0	0	0	0	1155	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5985	0	88236	0	0	0	0	0	0	0	0	1705	0	0	1244	0	0	0	0	0	0	0	0	0	0	30005	0	0	0	0	0	Peptide	0.125	1.4375	0.1875
18	C14 H27 O5 N1	290.1962	290.1966	0.224934	290.19626	4427	4805	3375	2716	1928	1822	44063	3866	0	4681	11707	1534	0	41630	1622	3822	6703	0	0	0	0	0	2324	2806	1469	6020	30597	45831	3791	1913	2340	2277	1957	0	0	3103	1621	2510	5529	0	0	2856	3644	0	0	0	0	0	3224	2773	0	0	0	890	0	1207	1852	2702	0	960	5588	0	6428	0	22868	2514	7612	4265	1370	0	0	3401	2970	4336	6016	0	0	1334	1737	38410	2353	0	65989	47111	0	0	1402	1543	1875	2525	10412	4352	3184	6981	2255	617	2961	2465	0	1662	2613	2872	1621	0	3304	2397	1426	0	2073	2980	Lipid	0.35714287	1.9285715	0.071428575
2	C14 H27 O5 N1	290.1962	290.19672	-1.75652E-4	290.1962	4323	3698	4543	4821	8449	0	2666	6275	1628	1904	0	2744	3155	4470	3469	7618	4392	3029	3894	2710	2647	4217	3528	5669	3139	585	2887	2072	6501	3996	4618	6594	7329	6367	2612	5845	5635	2542	4360	1484	1246	3821	0	0	0	1779	1120	0	6209	4143	5840	4419	5726	0	2709	1768	1934	9581	778	495	5819	493	3020	1570	0	4359	6583	3996	0	1638	873	5079	5136	5010	2775	4533	0	2697	2302	5532	2540	0	1197	2623	2538	2097	7115	4715	3412	10286	21986	18148	7820	1565	2590	0	9274	4873	1692	1443	2591	5283	2046	2827	1080	4801	3714	0	2674	3178	Lipid	0.35714287	1.9285715	0.071428575
16	C14 H27 O5 N1	290.1962	290.19653	0.0857063	290.19623	2569	5392	2057	1520	2228	2817	22074	0	0	0	1875	1367	2853	14582	2184	5863	1649	0	2092	0	0	0	1657	11958	3057	2600	10217	0	1928	2389	0	0	2554	1335	0	2458	0	2117	2584	0	0	2357	973	0	0	1273	0	0	2264	2365	0	4039	1245	2188	0	1075	2415	5781	0	0	0	0	0	0	102345	0	3563	2428	0	0	0	2807	0	3888	2048	2763	0	0	0	8461	0	16183	27631	19762	3140	443234	2148	2727	1819	0	9012	2391	0	0	2635	0	4700	3642	1361	1790	1823	0	0	0	0	0	2352	0	8335	0	Lipid	0.35714287	1.9285715	0.071428575
4	C14 H27 O5 N1	290.1962	290.1967	0.05276029	290.19623	5767	5676	6300	5900	6003	6187	2543	5471	2402	3268	0	1752	4076	66631	5871	12168	1388	4484	3922	4538	2104	5160	4477	18588	7735	773	2173	0	4836	2842	4731	6558	6566	3799	2714	4725	3820	4317	2195	1590	0	4828	0	0	0	4968	0	0	6197	2915	6200	3800	6327	0	2445	1479	2852	14363	701	0	56418	0	4335	1705	2555	5472	9748	1492	0	5508	0	3850	3861	3957	1938	3048	0	3011	3144	7364	4381	806	545	1859	2725	2401	5688	3299	3723	4388	26816	16468	14271	2616	0	0	5179	5045	2174	2225	2654	3581	2400	6336	0	8353	3021	0	3085	3627	Lipid	0.35714287	1.9285715	0.071428575
10	C14 H27 O5 N1	290.1962	290.19662	0.07958	290.19623	1701	1097	1376	1916	1282	2321	1152	0	0	0	0	0	1398	2098	0	1310	2720	1693	1376	0	0	0	0	1314	953	0	1051	0	1892	2417	0	2016	3014	2379	0	1863	1688	0	2904	0	0	817	0	0	0	0	0	0	1895	1294	1176	0	955	1924	1334	0	0	0	0	0	0	0	0	1256	42650	2974	0	1550	0	0	0	1434	1257	2899	1225	855	0	0	0	6358	0	0	1640	0	900	22538	0	0	1460	0	11397	6528	0	0	0	0	0	1865	0	0	995	1576	785	0	0	1658	0	0	0	1861	Lipid	0.35714287	1.9285715	0.071428575
12	C18 H27 O2 N1	290.21146	290.21185	0.14092259	290.2115	29007	33708	34679	32015	2692	3271	85450	21799	1520	26959	15070	18777	0	3171	6446	50843	5875	2641	3909	39130	36474	4413	7422	10233	10074	22640	223609	15579	13925	20842	16719	48432	35323	19260	32645	15966	26095	13925	4536	23436	0	3770	0	0	0	3857	6901	0	33779	23798	26717	26662	3878	0	0	0	2774	56515	0	0	37326	0	0	1945	1790	2428	6683	37698	0	19384	21082	32684	24230	17074	34385	37374	0	23822	15324	0	9773	0	0	9155	0	0	9159	6036	11394	65070	32483	0	47256	8448	22127	0	28175	22608	1377	0	0	29786	36383	3220	0	18766	0	0	7145	0	Lipid	0.11111111	1.5	0.055555556
8	C18 H27 O2 N1	290.21146	290.2119	0.06925876	290.2115	42321	47890	34372	41450	2620	7852	46403	96420	1618	36969	21375	47262	0	1558	38407	104658	43314	3947	9474	66020	45630	15538	30841	79405	38835	15039	69901	23118	66538	72800	75073	82762	69459	68105	45900	73461	84220	37154	45897	37695	1067	18368	0	0	0	21214	15797	0	99577	86328	36591	36353	9350	0	1719	0	8549	83876	0	0	85323	12182	1530	3583	8080	5636	17369	81041	10091	20131	16454	94595	69602	69707	57960	75363	0	49342	28543	18948	24978	0	0	28973	814	0	26102	18901	20448	103998	51799	0	111832	17887	37909	0	39835	45691	1784	0	0	71578	39195	25520	0	90300	0	0	31883	1918	Lipid	0.11111111	1.5	0.055555556
16	C18 H27 O2 N1	290.21146	290.21182	0.11969489	290.2115	3537	1728	3746	3233	1854	3372	0	5555	0	6112	3380	2024	0	6194	2375	8385	1911	0	0	3460	4383	0	1976	2194	2134	3080	2011	4370	1565	4277	2205	3790	4380	2712	4494	1713	2361	1012	1729	3435	0	1230	0	0	0	2461	4812	0	4309	15184	2795	1721	0	1062	0	0	1201	3599	0	3886	30364	0	0	0	1908	1530	1284	3427	0	3198	6046	2703	0	2445	2354	3513	0	2793	0	0	0	0	0	1637	0	0	3328	3821	1378	0	6581	0	0	0	7718	0	2734	2458	0	0	0	2333	0	0	0	0	0	0	1018	2720	Lipid	0.11111111	1.5	0.055555556
14	C18 H27 O2 N1	290.21146	290.21182	0.1329463	290.2115	5965	4516	8406	4989	2439	5046	11401	10553	0	9992	5022	4057	0	2839	2356	25735	4827	0	0	13816	9820	4043	2817	10778	5908	5221	24597	7111	2487	7556	8300	6833	9532	5737	10839	5818	7245	2438	2028	7806	0	4537	0	0	0	6072	0	0	6657	7236	7573	9582	1834	972	0	0	895	18504	0	0	0	0	0	0	2525	2479	5144	12469	0	9244	8238	10987	5969	12331	4308	7761	0	2613	4652	0	4105	0	0	5183	0	0	0	2525	2992	45401	17471	0	110056	0	13476	0	4312	6110	0	0	0	5782	3345	3093	0	41283	960	0	5799	0	Lipid	0.11111111	1.5	0.055555556
22	C18 H27 O2 N1	290.21146	290.2118	0.058732025	290.2115	10248	10168	9098	9146	5478	21604	0	4260	0	17729	6767	1733	2713	7039	1707	18196	9663	4726	4488	10009	17228	7027	1193	4402	1626	25308	2087	8807	5408	22547	3320	15772	26625	9387	9522	13343	9178	2630	10828	17257	33319	21910	3623	0	532	24856	55711	0	40860	71886	9756	7592	1439	16636	0	1400	1097	11481	0	90380	10926	4342	12594	0	0	16298	2165	15852	21055	15256	35583	10059	3733	7972	10413	33660	343	1442	2620	8743	1811	8897	4167	8571	0	0	4977	19485	3507	26492	23337	9358	24653	6430	41906	0	10458	9443	1648	1310	0	6403	2544	5696	7977	5812	0	0	4407	29682	Lipid	0.11111111	1.5	0.055555556
10	C18 H27 O2 N1	290.21146	290.2119	0.09611157	290.2115	44592	34752	34462	33611	4949	11725	180106	235767	1717	43602	29508	140137	0	4969	72609	183988	57692	5740	12750	74254	60890	8264	34030	92523	41799	20917	340893	29232	106266	111464	124514	96596	66458	106546	41723	111999	75093	75351	37801	29286	1280	15709	0	0	0	13928	17856	0	125757	227640	36271	40748	6786	0	1799	2266	7696	101469	0	0	142968	5652	0	2425	13686	4803	19300	87201	13156	29210	22902	188935	96119	82555	90612	75166	0	147546	22043	16327	21819	0	0	22303	0	3740	18568	21374	24395	50247	38813	0	97577	12736	37806	0	35402	40323	2919	0	0	54372	104425	16795	0	87915	1846	0	27752	0	Lipid	0.11111111	1.5	0.055555556
20	C18 H27 O2 N1	290.21146	290.2118	0.078526154	290.2115	5382	7167	2396	5480	3536	10914	1926	6445	0	10696	2645	2623	4037	6067	0	15235	8879	0	1630	3987	4714	3830	1474	1733	1718	6157	0	3295	3338	9894	2770	8390	12211	3088	5828	6457	4208	0	4480	8519	22217	12943	2862	0	435	7312	36621	0	18846	35793	3202	6099	1645	7526	0	0	1084	4380	0	98079	9687	1255	6755	0	0	16048	2006	14047	4327	3612	15607	4061	2207	0	12620	15775	0	1641	0	3742	0	0	0	0	0	0	1588	15599	2019	28179	12871	3643	22866	1298	27199	634	6178	3814	0	0	0	3451	1830	2457	0	1776	0	0	0	19790	Lipid	0.11111111	1.5	0.055555556
24	C18 H27 O2 N1	290.21146	290.21176	0.13754714	290.2115	7690	10218	7352	10175	4481	14203	2343	5086	0	13572	9815	2451	2823	4709	1576	14345	9784	3742	3831	11344	10939	5513	1607	6966	2071	27813	2169	10891	6394	13441	5753	14482	12205	7228	5819	15190	5432	1621	8740	13775	20491	12437	2426	0	0	15732	33076	0	27308	53781	7739	5853	1132	5249	0	0	1851	5642	2857	50973	10663	8296	4591	0	0	12100	2646	11284	18153	10869	24113	7759	4465	4645	8463	21936	0	1618	0	9924	2769	10309	3106	11521	0	0	3618	10847	2751	23380	16226	8026	13038	8457	19742	0	6903	8072	2066	1428	0	9399	1601	8125	11613	4077	0	0	6331	18359	Lipid	0.11111111	1.5	0.055555556
6	C18 H27 O2 N1	290.21146	290.2119	0.08929774	290.2115	23087	27541	25825	28702	729	3626	24967	64914	913	29464	16123	28253	0	533	25999	63653	40435	2484	7241	38173	34565	9966	22179	54654	28387	8780	30336	17635	44988	58702	50371	66596	57509	57859	25772	62179	58724	26490	43714	19743	2944	10203	0	0	0	15796	14250	0	68772	59279	23524	28628	4489	0	0	0	3999	43626	0	0	48077	6600	0	0	4251	2968	10489	66480	4906	8131	7896	58831	62309	71568	56498	49706	0	24499	17826	13588	18795	394	694	17612	0	2475	19057	12307	11873	64949	35236	0	72008	14208	33507	0	28286	24532	615	0	0	52202	22808	21732	0	52861	0	0	20328	0	Lipid	0.11111111	1.5	0.055555556
4	C18 H27 O2 N1	290.21146	290.212	0.10065202	290.2115	14541	15163	13308	12512	348	2175	14106	40707	0	10593	5395	15630	0	0	17612	36414	22776	908	2350	17746	14993	7070	12534	35969	18446	1870	14317	5233	27685	20642	21554	27942	26979	24572	11214	30286	23525	13257	21557	14674	2962	3907	0	0	0	9892	8260	0	33031	32788	14392	12846	3169	0	397	0	1820	25365	0	446	27223	5770	0	496	1966	1708	4596	27519	1903	2603	2261	22730	22117	35014	28846	22857	0	16946	16805	11286	14942	313	715	11478	775	2122	11540	5102	7308	31904	28217	1396	40690	8768	27420	0	12495	15899	0	0	0	21335	13373	16423	3504	25317	0	0	15832	0	Lipid	0.11111111	1.5	0.055555556
2	C15 H31 O4 N1	290.23257	290.23312	0.1117083	290.2326	5431	4601	3385	3064	311	0	0	1079	0	11396	1307	617	0	26858	0	2276	0	0	0	8688	2602	1341	0	2434	0	0	6607	2889	0	510	534	1011	713	0	1554	1721	2064	0	440	1813	2082	0	0	0	0	2210	2032	0	921	1530	3134	3479	746	0	0	0	450	1894	0	272	179961	614	24987	0	0	690	3226	947	2042	17324	702	574	481	1632	592	1132	0	0	0	0	0	0	0	390	0	0	0	1494	0	0	2161	1316	3159	907	13424	0	3048	3668	0	0	0	1685	0	4675	469	0	0	0	0	5771	Lipid	0.26666668	2.0666666	0.06666667
12	C19 H31 O1 N1	290.24783	290.2482	0.04431394	290.24786	2969	0	6418	4059	0	0	6421	20773	0	0	0	7627	0	0	5839	39870	0	0	0	0	0	0	6378	5951	12570	1090	7866	0	21179	9575	49264	13994	0	11411	0	24738	1697	7934	0	0	0	1565	0	0	0	0	0	0	7669	15947	2490	3060	0	0	0	0	0	17703	0	0	31251	0	0	0	2714	0	1393	0	0	0	0	21727	10126	24892	24643	13578	0	7808	3246	0	2064	0	0	0	0	0	53336	1132	0	47373	7186	0	5035	0	0	0	2671	5803	0	0	0	0	6466	0	0	8961	0	0	2861	0	Lipid	0.05263158	1.6315789	0.05263158
14	C16 H35 O3 N1	290.26898	290.269	0.22037771	290.26904	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6048	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1223	0	0	0	0	0	0	0	0	0	0	0	0	0	7963	0	0	26994	3802	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1875	2.1875	0.0625
12	C16 H35 O3 N1	290.26898	290.26932	0.13929959	290.269	4341	4032	3305	3482	0	13795	0	7396	0	0	0	0	0	5635	0	50527	1674	0	0	0	0	0	0	7447	0	0	0	0	3389	6710	7824	3633	0	5496	0	4766	0	0	3015	0	0	1143	0	0	0	0	0	0	3097	2686	3447	3214	0	0	0	1273	3549	27905	0	0	0	0	0	0	0	0	0	0	0	1263	0	1931	22309	8667	2316	13073	0	963	7932	0	2268	0	0	0	0	0	24746	1413	5255	234524	11803	0	7220	0	0	0	3178	3550	1806	0	0	0	0	0	0	13492	829	0	0	0	Lipid	0.1875	2.1875	0.0625
20	C12 H6 O5 N2 S1	291.00702	291.0073	0.13778047	291.00705	0	1967	0	0	0	0	2297	0	0	0	0	1820	0	0	2590	1949	15304	0	0	0	0	0	0	0	0	0	2713	0	0	0	0	0	0	0	0	0	0	1591	13792	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18189	0	0	0	0	0	0	8385	0	0	0	4042	0	2539	0	0	0	0	0	5163	0	0	31073	0	0	2659	0	0	0	0	0	0	0	0	0	1020	0	0	0	0	0	6430	0	Organosulfur	0.41666666	0.5	0.16666667
12	C18 H10 O2 S1	291.04742	291.04776	-0.84635967	291.04718	0	0	53172	49101	6777	36093	73018	48840	2547	0	5283	0	0	0	51527	28995	0	41043	66763	0	0	73172	81944	0	0	0	32756	0	46989	0	40725	44253	97707	34436	7368	34683	97979	76505	310410	0	0	118061	0	0	0	6818	0	0	59502	42876	0	50339	70666	0	2810	0	79488	0	0	0	0	0	0	0	0	44229	98503	267872	0	0	0	0	23018	0	43403	29893	0	54214	0	0	0	6013	0	0	5267	37256	196055	0	68564	398671	0	0	215234	0	0	0	55116	0	0	1031	3264	36003	48064	5769	0	0	6254	0	52915	4346	Organosulfur	0.11111111	0.5555556	0.0
24	C14 H10 O7	291.04993	291.05026	0.1718789	291.05	3245	5302	5363	7339	18681	13819	3642	1796	19819	3076	1301	5711	33597	12571	5486	6478	5399	28828	20172	2504	0	5914	10298	6300	4711	0	3446	0	1652	0	1917	1928	4008	1017	4305	1156	2936	4038	6831	0	0	7648	2165	0	0	1713	1481	3053	3814	1889	6288	6784	14831	0	18536	11900	8539	3402	1006	1688	4225	1031	30376	19971	7809	20991	6040	4340	1244	2447	1793	2606	0	0	2977	2364	0	3988	18909	3321	19742	1626	1538	0	24502	12115	15156	5818	9657	4463	1815	2311	3148	3269	2747	1907	9085	6919	11734	18127	14961	4263	4316	1304	0	3917	13789	0	5464	33858	Phytochemical	0.5	0.71428573	0.0
10	C14 H10 O7	291.04993	291.05038	0.24117781	291.05	34462	27910	21780	28079	63309	33473	7808	10870	75954	23463	20492	14257	111159	30724	12902	13949	9652	77376	80726	13622	29410	34859	23176	8864	4494	0	7547	5919	5982	5350	5453	7103	15994	7153	36336	3367	15062	12736	12969	11080	20716	22225	1968	0	989	9347	17372	1449	9664	4848	27973	28342	41293	736	77739	66977	25584	12568	7452	11429	16676	10586	106017	71474	23800	88066	29083	15897	7001	1678	10047	7573	5431	4257	9032	6642	567	10154	26956	18162	23287	9887	4504	1985	81110	30260	21960	32199	31245	16760	6349	13572	18902	38830	27548	1357	28957	26594	52093	89937	79186	20060	12306	6588	0	14349	51232	725	7478	113306	Phytochemical	0.5	0.71428573	0.0
12	C14 H10 O7	291.04993	291.05038	0.20544857	291.05	42797	53907	47410	51184	105876	55648	19381	15180	109311	29137	27063	21077	158167	50027	29401	31321	23214	135817	165552	24577	25955	64271	44047	24564	12667	2526	19409	9515	17578	12194	15436	14130	40085	11351	47487	12658	36345	29040	22892	13686	27130	43362	1876	954	1557	11714	18283	1912	14867	13309	52052	44518	70600	669	122699	91692	46187	30912	10891	15001	26130	11011	210439	108022	38337	145033	52249	24390	0	7897	13624	11688	11618	7924	20339	14841	808	21042	55313	23033	41906	14315	9836	5781	117465	51270	57413	51133	60031	31214	16269	21839	29168	46034	37634	1671	52220	49662	84744	120140	106590	41927	23444	10241	0	26039	78262	1155	13694	196897	Phytochemical	0.5	0.71428573	0.0
6	C14 H10 O7	291.04993	291.05045	0.2234297	291.05	3945	4619	2980	4826	12599	3829	882	1422	13771	2910	4060	1842	19715	4264	2004	1946	1507	13161	14719	2362	5095	4498	2626	768	619	0	1132	0	1344	1002	957	1305	2766	599	6508	0	2438	1599	1235	2034	3325	3242	0	307	621	0	3090	585	1669	1284	3765	4766	6376	716	12127	15800	6476	1489	2136	1582	2106	0	26197	15459	5386	14612	5381	2310	0	0	0	939	0	0	0	1586	441	1467	3073	0	2349	1750	905	0	15825	5884	2071	5966	7660	1418	0	911	1378	3874	4764	615	4662	3528	9769	23850	18328	1975	2082	1352	0	1803	9960	363	1472	26987	Phytochemical	0.5	0.71428573	0.0
18	C14 H10 O7	291.04993	291.05032	0.21276802	291.05	33256	30828	27090	29363	63757	46027	14385	11806	56372	10216	10444	16217	120228	57926	25054	22760	15873	116638	91668	7146	9613	23325	42209	25079	19798	0	16969	5881	15152	9177	11947	12070	28056	12843	12257	12169	33382	26038	14203	5855	10733	32048	2980	1907	2585	11314	8513	3620	12271	9629	32754	33325	52497	2037	67378	54350	40008	28981	6189	6035	20363	7169	96812	67368	26079	99861	44223	15172	5810	5682	5190	8769	7879	3832	9026	10784	2068	13146	54688	19484	42028	12368	4214	2122	83598	52205	48919	41785	44296	22943	11475	13103	30844	26393	19861	2348	29477	22782	45973	69813	68452	18064	16474	6828	8060	21249	45527	1941	22276	104664	Phytochemical	0.5	0.71428573	0.0
28	C14 H10 O7	291.04993	291.0503	0.1110847	291.04996	7581	6789	7844	8186	12589	10079	8359	3421	10178	5197	2069	6966	17650	10383	8535	16056	11849	26207	19197	0	2508	4741	11482	11783	5063	0	7363	2466	5601	5167	4555	3621	7058	4627	3182	3258	10465	6709	15489	1777	2350	7738	1672	0	0	2010	2920	2759	6363	4491	9070	6486	9434	0	12531	9629	5131	7818	3438	3463	13471	1920	17037	10864	5396	15065	7726	9203	2350	1367	1383	4661	4391	2977	12534	4384	0	5600	16552	5609	11367	2167	2134	0	14928	10682	13072	7542	6966	5883	3798	4458	8613	3841	4262	1938	8181	8535	8111	9050	11637	7567	5789	3778	3490	10529	7741	1272	7563	17027	Phytochemical	0.5	0.71428573	0.0
26	C14 H10 O7	291.04993	291.05017	0.13573958	291.04996	5276	5512	5096	5116	14658	7094	2265	0	11698	2939	0	0	18635	9705	0	0	0	23978	21294	0	0	3628	5840	0	0	0	2581	0	0	0	0	0	4815	3004	4143	0	3660	2688	3777	0	0	0	0	0	0	0	0	0	0	0	5850	5184	8776	0	15471	8915	5476	4449	0	0	0	0	20033	12407	3776	20000	4486	6824	0	0	0	0	0	0	0	2775	0	0	12411	0	14093	0	0	0	18786	6709	8719	6193	8241	6806	2558	0	4571	3390	0	0	5961	5160	6347	10430	14850	0	4092	0	0	2829	7095	0	4927	25195	Phytochemical	0.5	0.71428573	0.0
20	C14 H10 O7	291.04993	291.0503	0.17331877	291.05	20511	13350	17622	13590	46390	28847	8691	6488	36313	5374	5532	9369	73430	31105	13869	7309	6648	66674	59491	7063	4865	14573	22854	11195	8992	0	10346	1750	5163	3317	5243	5008	15242	4306	9118	0	13740	13122	3416	2718	7592	15497	3250	1672	2553	6156	3975	4547	7158	3978	16686	16106	31873	2067	45491	33743	19955	8710	2984	5360	7774	1738	74828	43036	17588	57665	15309	6349	2250	4152	4386	4004	3012	2058	3335	4990	2328	7664	27517	12841	27746	4213	3879	0	55918	27445	25743	21477	27127	8446	9707	6003	8564	13301	8908	2260	18348	15178	26540	44595	46918	10771	6879	2905	3978	8306	27502	2438	11543	77128	Phytochemical	0.5	0.71428573	0.0
14	C14 H10 O7	291.04993	291.05038	0.2134191	291.05	65934	74659	51223	64125	145126	91299	43747	33445	140257	30537	31722	40031	232553	97635	53725	51732	46094	237371	208258	25367	29824	53441	73299	34003	31682	2171	36691	16480	31139	28346	29439	30405	73584	32409	43878	27897	57095	50460	44515	17191	24257	68988	3134	1060	1492	22476	24471	2477	34437	24062	61144	61058	107485	1728	137932	104058	73341	74691	15747	20582	57683	14814	227257	145161	63636	209225	92382	42466	13253	8697	14015	23624	26684	14744	33654	33995	1303	34880	93680	40307	69120	19269	11671	6235	149963	88709	103982	104996	122299	61665	21728	31242	55254	48463	41389	2254	61550	66001	92737	139539	148148	65512	42798	25351	19055	46925	92309	1555	36935	203445	Phytochemical	0.5	0.71428573	0.0
16	C14 H10 O7	291.04993	291.05035	0.19534345	291.05	51266	46840	48320	53879	114826	84425	29974	21986	113755	26742	21931	29270	177414	86914	43581	34222	28305	195762	170161	15820	18926	44384	58835	30686	28681	3946	29145	8850	25570	21537	26547	26446	53555	25744	32853	29712	55002	44053	36686	12290	16184	49366	4009	1536	3066	13014	12687	3766	34159	18521	49976	48534	90160	1601	107376	80442	58444	46808	17859	13398	33804	7418	176297	104389	47759	155598	69492	32244	7860	7795	8338	19490	19615	11256	28211	22964	2506	30349	81974	42203	46180	19511	9123	6197	142538	74774	85478	70735	75690	48114	24291	26923	38647	35010	33843	2937	44943	47644	68764	107113	109061	60438	28641	12805	10255	31637	86070	2088	34452	187444	Phytochemical	0.5	0.71428573	0.0
22	C14 H10 O7	291.04993	291.0503	0.1466683	291.04996	7329	11330	8700	9193	29647	20257	3270	3223	30889	2713	3734	2737	39330	20890	7285	5142	2778	48745	30465	1722	0	11744	11033	7498	5359	0	4072	2402	3062	3287	2318	0	7441	1581	3839	0	10396	8506	3960	1647	1768	7656	0	0	2706	4076	3340	3783	3717	2635	11854	8746	23965	1929	31488	20057	18012	6144	1769	1818	5697	1872	50220	28895	11170	32853	12793	4058	2113	0	0	1704	1401	0	1217	2455	2636	4454	23676	6515	22728	3237	2161	1343	41537	25876	20180	13888	14953	4505	2135	0	5300	9315	8436	0	8506	8131	22658	31259	29584	6683	3416	4012	3385	5610	21204	0	9864	45703	Phytochemical	0.5	0.71428573	0.0
8	C14 H10 O7	291.04993	291.0504	0.19190514	291.05	12295	14785	9299	13703	31367	12420	2569	2369	33344	12932	13759	7948	52215	14197	4824	6125	5820	37913	41881	8337	15193	17245	9435	3481	1953	756	5312	4166	1887	3062	3452	3403	9723	3711	20047	2024	7628	6339	6488	6682	12323	12514	615	424	772	3754	6997	854	3136	3744	13191	11447	20374	530	37428	33656	17709	5853	5432	7089	5880	4690	62147	43623	14691	40239	13337	8288	3190	2464	7702	2582	2621	1281	3475	3726	622	3562	13905	5713	8767	3603	1927	1845	38400	11701	9461	18046	15260	9353	0	6484	7789	20357	13962	920	14710	13604	34371	59998	56019	8684	5649	3388	0	5031	26972	0	2820	60939	Phytochemical	0.5	0.71428573	0.0
14	C13 H10 O6 N2	291.06116	291.0616	0.22144862	291.06122	12957	13048	12131	11925	14904	14825	5191	9457	19506	6384	9615	9616	22251	7187	8359	10517	12863	24892	22084	5231	11556	28414	14974	13185	6890	1766	8920	0	6243	1719	6463	0	14420	7845	13453	2685	12580	12435	14321	12314	22564	16290	0	0	0	4638	13773	368	7804	3319	8888	16388	13545	0	23541	13057	11216	20589	0	9981	0	10726	25112	21574	10704	25515	14166	19436	0	5317	6255	5774	4010	1981	8897	4338	0	8705	20525	16204	13158	6394	4221	4342	15637	7567	20868	23484	20860	50191	8763	11977	30226	21395	14406	0	13828	11980	8285	15777	15063	14619	8886	8170	0	19397	8829	0	12845	32134	Unclassified	0.46153846	0.7692308	0.15384616
12	C13 H10 O6 N2	291.06116	291.0616	0.23788285	291.06122	15730	16762	11019	13876	19913	15439	8894	10907	21851	15223	9569	12970	32412	6427	11279	13542	15605	32760	31893	5725	18894	37026	14683	9703	5788	0	6623	0	5974	5196	9678	8255	20148	9026	25020	5769	17930	10302	22124	13371	31464	16865	0	0	0	7934	13906	0	11102	10416	13143	19393	21482	0	30038	13894	11312	16622	6305	10663	0	13635	35797	29814	11981	32582	15477	26366	0	4189	8998	6379	5005	2585	11154	4737	0	9030	19912	0	18340	7105	3574	4098	21191	10271	22526	21458	18412	47947	7062	12057	35827	24425	14710	0	21546	13147	14277	22582	17175	18747	9743	8487	0	26617	12900	0	12059	50687	Unclassified	0.46153846	0.7692308	0.15384616
10	C13 H10 O6 N2	291.06116	291.06165	0.24530469	291.06125	18814	15309	12766	14442	19980	11711	5857	6883	27380	10647	12803	10187	34636	7213	7207	13819	14253	30871	36079	7083	14446	30517	14230	13595	4500	1304	5139	4598	4892	3445	5099	5442	17039	5943	15939	4428	13263	9443	15457	9994	24444	16791	0	0	0	7815	8977	0	7055	6372	13140	14150	18126	0	26442	18133	11172	12812	4856	9793	12676	7695	42648	31105	11660	28721	16802	17457	0	4064	7760	7534	3803	2691	8334	5553	0	6528	16568	7711	11016	4649	3295	2469	19190	8977	14218	21603	16075	31100	4298	10213	34030	18698	13364	0	13554	15299	15735	21193	14783	14753	8180	4879	0	19703	12636	0	5487	46966	Unclassified	0.46153846	0.7692308	0.15384616
18	C13 H10 O6 N2	291.06116	291.06158	0.21543454	291.06122	9788	9530	7611	8646	7623	7299	5637	16352	5700	0	4023	37700	6488	3992	25049	15298	81214	7203	11669	2588	2874	13085	36750	15114	3532	0	7894	0	8320	7195	12797	8528	14131	9356	3223	8362	20124	29610	45622	2357	8158	15043	1014	0	483	0	1252	484	8228	21515	7679	9654	7192	0	7505	3005	12953	14811	1901	4659	11077	2343	6791	6456	11190	12297	9064	102013	0	0	3001	10895	10948	4862	31832	7446	317	21602	22810	9343	19509	1508	1714	0	4566	5747	13545	29609	10676	125680	0	0	43862	6650	2247	0	11746	7754	4371	3987	4496	15643	29607	2069	3769	27681	2251	384	6874	11220	Unclassified	0.46153846	0.7692308	0.15384616
16	C13 H10 O6 N2	291.06116	291.06158	0.2756633	291.06125	10065	7013	9331	6575	12263	7351	2719	5306	8772	4625	3564	5900	11929	3230	5361	5773	10981	16181	21604	0	5280	16344	8118	9973	4390	0	3171	0	1776	3284	3222	0	8869	4019	8272	1745	6906	5810	9495	5608	19515	7181	565	0	0	2630	5403	497	4595	2731	9620	6688	13530	0	10756	7655	7178	8297	4953	8908	0	5787	16270	14666	6096	12825	8090	9143	0	0	0	2744	2553	0	3533	2615	0	5103	14050	9241	8014	3090	1219	3348	9287	6388	11212	13350	11982	0	0	6152	0	11248	5965	0	6703	4569	5384	8170	5481	5292	2497	3009	0	12525	5499	0	5759	23293	Unclassified	0.46153846	0.7692308	0.15384616
8	C13 H10 O6 N2	291.06116	291.06168	0.25080624	291.06125	9673	12937	6820	7778	14766	6520	3417	3322	17308	5750	6450	8131	24203	3953	4920	4863	8637	15633	21513	4993	8428	14737	7038	6128	1992	1016	3242	0	3454	2017	3100	3943	10529	3516	13009	2495	8896	4261	8613	5548	14887	9209	0	0	0	3272	7176	0	3950	3063	9437	9743	8707	0	19259	12773	7699	5603	3668	4528	4888	5402	34172	20885	6675	17553	7392	11995	0	1647	4007	3463	2529	915	5327	3174	0	4260	8424	2671	5249	2945	1995	1419	15453	6265	6493	13632	11261	17791	0	0	16431	9593	7006	0	11620	9899	11155	12899	11506	10670	4722	5590	0	11664	7392	0	3384	31663	Unclassified	0.46153846	0.7692308	0.15384616
22	C12 H10 O5 N4	291.0724	291.07263	0.02785055	291.07242	0	1769	2865	5920	0	0	10890	4263	0	0	0	7929	0	0	2187	12091	32154	0	0	0	0	0	0	7483	1619	0	8692	0	6879	10439	5842	8489	12610	5236	0	8506	7844	2853	38135	0	0	1538	0	0	0	0	0	0	6206	5999	4263	3430	1258	0	0	0	0	15204	0	0	11753	0	0	0	0	0	0	29871	0	0	0	3344	6118	6383	27361	6557	0	6309	0	0	0	0	0	0	0	0	0	2036	2104	6591	0	0	2437	0	0	0	2991	2084	0	0	0	15602	6024	0	0	8562	0	0	3360	0	Unclassified	0.41666666	0.8333333	0.33333334
0	C19 H14 O1 S1	291.0838	291.08432	0.08631288	291.08383	2598	3072	2470	2827	13355	18900	3018	4961	1084	1118	2054	4119	4482	0	1641	0	1466	16333	5160	0	1043	6774	3918	0	0	0	2411	578	3723	0	11919	6002	1898	9728	4134	4497	4559	1304	2115	2188	2421	3360	0	0	0	2651	2010	381	3088	0	2479	3121	6859	0	765	0	1842	11308	0	908	2329	0	0	1416	799	11909	5857	2964	518	2067	1475	5896	12374	7069	0	18518	0	3155	1642	0	2182	910	1654	0	823	0	1875	15444	9593	2999	92722	71083	2707	0	0	757	2756	2969	765	641	1492	3601	22176	0	0	9845	0	0	1550	2422	Organosulfur	0.05263158	0.7368421	0.0
20	C15 H14 O6	291.0863	291.08667	0.14994518	291.08636	111159	113937	106390	99287	177619	140423	68877	81360	169747	115156	74191	57976	259134	130334	87694	92061	69501	257885	238589	98163	106051	127532	108957	119591	82778	76377	61483	69159	81677	62697	63992	67823	111478	73742	130255	67801	126189	74636	68500	88978	95522	98900	17253	13279	14657	93330	95294	17595	79714	64360	113778	116939	137079	11177	188557	158473	96571	110455	63082	48572	99228	67842	237816	161273	72249	199532	114816	69617	76269	93626	103979	67771	67068	52921	57400	69986	11507	68220	137022	101039	104513	74430	51004	75541	191694	109093	129495	108361	112576	103311	108702	102308	136018	94432	89643	18126	114362	121159	134564	196753	198265	102874	72135	78668	65829	95523	123162	15473	88327	268628	Phytochemical	0.4	0.93333334	0.0
22	C15 H14 O6	291.0863	291.08667	0.15784188	291.08636	55312	61530	43302	59494	94730	58260	22627	35197	87520	59852	30870	27306	107586	59081	40753	34833	25388	105179	81011	49970	45838	63295	55076	45483	43846	36437	26357	25478	35263	27630	29825	33258	50546	31679	74486	31029	46895	35542	34277	41191	43440	34616	12972	12653	14845	41998	39490	14585	37169	30425	53158	46647	66954	11292	98614	75897	51150	45005	26990	27469	41819	29709	111139	82656	32779	108937	43659	36370	31157	48371	55167	33235	28107	25173	21095	29105	12271	27155	74264	43006	60239	40436	24626	26755	99856	52794	73551	47845	53045	45792	50602	37771	53161	48393	55007	13953	48042	58256	66229	103658	89803	44279	30942	31993	37475	41357	62390	12192	39308	131477	Phytochemical	0.4	0.93333334	0.0
16	C14 H14 O5 N2	291.09753	291.09796	0.19516385	291.0976	75092	72147	71210	70781	59737	55353	62233	66480	39420	61109	48600	56740	54333	32664	58827	109508	106107	87003	99336	39337	58345	114672	66904	105078	64876	27563	59813	34617	62316	52831	68576	73638	104824	64394	57939	59607	101046	47184	108710	74222	98552	60924	2277	1722	1270	45801	44476	1369	86864	63708	63409	68735	65502	1291	36045	21313	35350	112889	29412	52985	99173	43798	48134	38270	29665	56303	65506	109757	40588	51361	61524	71584	57560	36633	73168	53508	1406	47293	86050	77985	55658	34681	39095	41290	32400	32842	89683	91857	74458	148203	62311	65421	185638	71407	82442	1619	78226	69860	30504	24724	33323	106107	45378	43697	20474	124937	25347	1333	71878	65701	Peptide	0.35714287	1.0	0.14285715
2	C14 H14 O5 N2	291.09753	291.09814	0.22431268	291.09763	15001	14825	11396	13478	20539	0	9768	13058	24606	14369	19170	13483	27829	8394	12427	5212	17096	24386	22842	10652	28839	25745	16957	14623	7026	5180	3586	10620	12616	7404	13414	9565	21089	10907	23914	9597	15181	11148	19896	13537	19714	13248	404	442	654	9504	13987	381	12377	7709	12469	15195	18418	638	25414	14290	12407	14343	6325	13138	5139	7644	38629	29440	10591	28709	17179	23157	10787	12558	15318	10671	11431	6662	3030	12499	327	9337	16168	8641	12658	7979	7552	5037	19367	11647	15323	24717	16838	33855	6873	14767	33306	14913	5413	1016	15217	13985	15086	22063	18421	12342	11928	9142	8279	17860	13233	393	10900	34236	Peptide	0.35714287	1.0	0.14285715
6	C14 H14 O5 N2	291.09753	291.09805	0.14677276	291.0976	137029	141256	110789	134724	107699	90720	81301	122718	118226	150706	111806	89237	123649	46162	89860	169858	132365	146655	180385	126722	180597	191432	110068	170602	66500	47500	85351	74005	103707	88857	111682	105975	189481	114239	174690	99583	151182	99331	209644	105688	189411	96475	1611	667	583	107874	130400	430	144148	100451	144029	137547	123924	787	135204	75611	71179	160244	54442	106119	136172	84923	149381	93979	60901	136902	125850	219543	105813	114802	202518	100166	85210	58647	77812	87642	458	73807	130038	67311	118473	63776	53537	50222	100720	79141	143739	152584	136197	270861	66765	102095	246535	110586	125479	1035	120531	127053	71664	93941	102116	165692	92387	105608	68272	171622	78783	411	95980	184660	Peptide	0.35714287	1.0	0.14285715
8	C14 H14 O5 N2	291.09753	291.09802	0.10410375	291.09756	149976	167529	128264	143198	114248	84635	89737	129699	124904	161010	116454	110272	137949	51620	120595	167186	172124	158254	187380	145930	197076	250950	134418	174620	90889	69142	108272	85081	104287	94442	102246	114123	159251	99678	209268	87119	153992	111330	204494	173000	265942	100251	1906	0	832	133238	168172	0	138224	111207	145413	151574	112713	941	155690	87088	80027	139535	80562	127210	148112	116689	168621	146532	77310	150405	102217	209596	143734	152496	223481	104381	92332	62583	103648	91619	0	85829	191001	98447	134225	91383	82439	80236	114232	77150	175345	134099	127002	312916	99809	127463	300600	159381	177902	983	145310	135217	91739	127133	119021	153749	97993	131965	70144	171240	85511	0	118462	195640	Peptide	0.35714287	1.0	0.14285715
18	C14 H14 O5 N2	291.09753	291.09793	0.18542662	291.0976	29387	23596	24806	26114	32940	24380	20024	20676	15958	15824	17945	20532	17345	13533	21216	35651	30129	26900	41197	14443	17309	47443	25818	37898	23215	6676	22682	13817	19122	14044	20445	24351	45555	23519	21999	12478	40544	18904	43097	22101	39416	30141	1465	1142	1188	14442	17040	1173	26024	17399	18741	23985	28711	1279	22145	9491	20078	39415	9824	20349	28852	18439	26059	22300	13652	31882	29902	49956	10138	10407	18144	19735	14093	7904	19958	18632	897	21470	33646	35916	27188	14858	12514	11025	15753	15091	36627	38393	28401	53200	33841	36191	69185	28728	29788	1433	27690	23701	19751	13661	11978	38275	16733	15507	5095	35229	14251	1009	24591	30101	Peptide	0.35714287	1.0	0.14285715
14	C14 H14 O5 N2	291.09753	291.098	0.17219423	291.0976	116858	130018	96203	112671	102200	80580	97507	97488	69155	109694	88246	79311	92041	53101	78005	132604	154100	129659	127864	77909	112563	201053	96026	143428	94006	51443	104027	79121	77628	68082	84168	91808	150995	80937	116364	73012	140222	70830	194315	120847	184397	93239	0	1073	928	73827	97451	1392	111418	70307	113180	102957	97092	1849	81014	53541	58661	166218	59328	87515	143645	84397	101546	77838	54002	108625	86203	219304	70640	94536	119335	75728	59399	40012	100093	80402	831	76041	143537	120943	118473	65415	69258	62446	64582	57676	181295	138500	120917	351537	121598	113325	277374	120856	115884	2054	119478	106971	53181	62908	64823	133188	72953	99831	45241	163739	58199	1051	126889	112886	Peptide	0.35714287	1.0	0.14285715
10	C14 H14 O5 N2	291.09753	291.098	0.11843766	291.0976	219978	205155	179916	172509	157596	130444	173128	214684	143402	186197	121969	163320	159303	80912	149653	281422	251830	232482	256698	152593	204964	286508	183498	269473	139251	84150	174880	120199	198481	186342	191497	227176	323483	191930	207109	171555	293143	174563	328383	177929	256602	169173	4017	1014	1113	151003	141811	1693	257637	179408	204197	215520	161187	1564	172688	90985	89664	279596	90488	132349	278668	110526	168119	148436	94988	205446	156799	360024	151044	153735	231884	183032	158749	142917	180882	176592	0	137985	227503	122549	208218	99357	78615	75266	146567	104328	246833	217515	186027	408322	120468	138001	385861	159260	195253	1918	206632	202309	101080	128944	123315	262811	136507	122634	75543	294973	105708	1145	185707	206469	Peptide	0.35714287	1.0	0.14285715
20	C14 H14 O5 N2	291.09753	291.09793	0.16708072	291.0976	6056	6204	9190	6058	7626	5562	10303	4080	3788	6309	3426	5764	3174	5585	4437	8386	10952	6517	11571	2727	4766	13558	7547	10346	4257	2494	9909	4649	6582	3756	6961	7377	10844	5721	5020	6699	12489	5423	12763	4389	8562	7410	1453	924	1264	3162	3873	1310	12439	5311	8368	8898	7511	1211	4366	3297	4251	9886	2432	5479	11457	4795	5643	6211	2988	7814	6438	17230	0	1830	4601	6618	4460	3600	7021	3616	861	6358	8421	10651	8633	3162	4909	0	4392	3382	10211	10993	7834	17807	7300	11295	23795	9894	8331	1235	5257	8342	2650	4016	4012	10203	6039	6511	2104	12227	3320	988	10540	5610	Peptide	0.35714287	1.0	0.14285715
20	C19 H14 O3	291.10156	291.10196	0.1685174	291.10162	4379	2369	2404	2907	2979	2023	3403	0	1402	3981	3318	1425	1935	3065	1874	3834	1757	1761	3186	3388	3274	5630	0	4360	6148	10714	1663	3547	1441	0	0	0	2727	0	2339	1840	0	1414	3830	2332	5587	2592	0	0	0	3113	2812	0	0	0	0	1904	2222	0	0	1612	2034	2668	1222	2094	3742	1292	1544	1483	0	4005	3307	3649	8879	4566	14202	1621	1192	0	0	0	0	1182	3101	4572	3863	1222	1056	0	1918	2165	3388	3537	2591	11064	2886	2211	20125	3266	3236	0	1919	1787	2695	2170	1719	0	1635	1516	1845	5383	2611	0	4621	2027	Phytochemical	0.15789473	0.7368421	0.0
24	C16 H18 O3 S1	291.10495	291.10532	0.2518691	291.105	6786	8543	5872	8298	8857	4581	1647	2616	3788	27374	28565	1366	3100	2248	1503	3825	1638	2680	2960	31765	28582	17472	1351	2378	1730	20068	1179	34864	1708	1908	0	2763	0	2381	23339	0	3436	1740	1538	21921	24259	4277	0	0	0	10476	17916	0	2150	0	6498	6962	15013	0	2801	2539	2656	3395	7049	10210	3655	17006	1378	1506	2035	6681	7626	1727	9590	10653	18008	1369	1532	1543	1244	1384	0	1277	3325	24591	2251	10276	7157	21300	3177	3330	3049	2469	4703	2947	22664	25983	4578	25279	29228	0	6502	9864	5145	1811	3792	2089	1393	7765	13676	4449	13688	0	2177	3084	Organosulfur	0.1875	1.125	0.0
10	C12 H18 O8	291.10745	291.10785	0.10209537	291.10748	3782	4176	3704	4892	8477	8551	0	3840	18114	2554	4151	2955	21386	4719	2857	2247	3165	12876	13936	0	0	0	3801	2421	2200	0	2010	4198	5307	3035	3199	4566	6457	4357	2584	5441	6264	4343	0	0	0	6409	1862	1022	1114	0	0	785	1817	0	4290	4327	8186	1081	17778	11134	5925	4007	0	2101	0	0	11782	12249	4970	11131	7678	2961	0	0	0	0	3919	5306	2302	3109	887	0	0	0	0	1227	1976	0	8789	4367	2237	3833	5062	0	0	3166	2913	2241	0	1100	5670	3686	7061	9691	11618	6623	3575	0	0	3924	9845	1294	1400	18816	Unclassified	0.6666667	1.5	0.0
10	C13 H14 O4 N4	291.1088	291.10922	0.16552393	291.10883	6700	5376	5832	4921	3266	2538	5552	6494	0	1511	0	6266	0	0	5768	9534	7377	2202	2274	2476	3236	12096	9667	26513	10871	0	2704	0	2948	2630	3103	2212	4091	2179	4270	3951	4894	6324	8576	2164	4649	2323	0	0	0	4513	2142	0	3338	5396	5060	7657	3961	0	0	0	2727	12791	0	2476	0	1716	0	2624	2211	2198	2613	9890	0	3099	3542	3903	1247	0	3104	2446	0	3955	15418	0	12025	2082	0	1784	0	1620	14314	3900	3053	34395	0	4271	28009	3608	3419	0	7330	3454	0	0	0	6004	2599	0	0	10816	2435	0	14890	0	Peptide	0.30769232	1.0769231	0.30769232
2	C11 H18 O7 N2	291.11868	291.11926	0.24521865	291.11874	24599	21391	18996	19085	11841	2282966	2541	13124	7108	1442	2821	4772	17585	8264	4711	1663	5273	15744	14042	2020	2853	8871	5781	9624	4625	0	0	4394	21180	8718	15613	14967	23944	17369	4499	13057	16550	4154	4039	1075	0	65085	421	0	0	3063	447	0	13933	5790	21450	22561	12296	0	8009	3117	2821	17803	1757	946	3636	0	18594	8342	4008	18262	16348	6699	0	1153	682	16111	17877	10749	0	9492	0	5304	2135	0	2556	0	642	0	4019	2664	3690	14542	14964	9896	0	42537	13214	1321	0	0	24029	21023	2871	2750	2553	10534	5093	2634	749	16932	3968	0	3664	26045	A-Sugar	0.6363636	1.6363636	0.18181819
0	C11 H18 O7 N2	291.11868	291.11926	0.010905405	291.11868	13841	14554	13543	10491	16117	463389	1842	23232	6730	3290	0	4347	24807	10260	3838	0	2339	23424	19839	2347	3745	12637	7583	13554	4002	0	0	1500	40280	7159	21218	18536	43566	24671	6771	17365	25699	3109	2785	0	0	29512	0	0	0	4100	0	0	21460	9984	12675	11801	19270	581	6670	1958	0	26570	1259	0	5001	0	30806	7537	4760	19276	32224	3204	0	2184	0	21530	24722	13115	0	15569	0	5231	2378	867	0	0	0	0	1557	0	2849	9910	24091	3301	156199	42055	14769	0	0	0	11803	12416	2462	1376	0	15042	0	3121	0	23126	2609	0	1782	43679	A-Sugar	0.6363636	1.6363636	0.18181819
12	C11 H18 O7 N2	291.11868	291.1193	0.3727788	291.11877	2147	2743	0	2410	0	0	0	0	0	7666	37473	0	0	0	0	0	0	0	1700	0	0	0	1147	0	0	0	0	253258	1316	0	986	0	0	1386	0	1142	0	1639	0	0	0	941	0	0	0	0	0	0	0	0	0	0	0	0	0	1131	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1079	1514	0	0	1155	1143	20381	0	0	0	0	0	0	1856	0	0	0	28174	12077	0	4390	2817	0	4241	0	0	0	0	2948	0	0	0	0	0	0	0	0	A-Sugar	0.6363636	1.6363636	0.18181819
10	C7 H19 O3 N6 S1 Na1	291.12097	291.1213	-0.50513005	291.12082	2936	2811	4156	1809	3314	4824	5583	1590	1385	1705	0	1492	5120	6612	1001	0	1945	1338	1756	0	0	2918	1437	0	2263	0	3392	0	2558	0	2364	1962	2413	0	0	0	3239	1738	2517	0	3320	1329	2766	0	0	0	0	0	3509	1999	2725	0	3955	0	2597	0	2703	3530	0	0	0	3597	2957	2574	0	2736	4357	2811	0	0	0	0	2055	0	36713	3470	0	2131	1396	0	1263	0	9628	10323	2383	2408	1910	2798	2293	6917	0	3293	0	2713	0	614	2479	3024	0	3696	0	2704	0	0	0	3519	10456	0	1527	2589	Organosulfur	0.42857143	2.7142856	0.85714287
14	C7 H19 O3 N6 S1 Na1	291.12097	291.12097	-0.54644537	291.12082	0	0	0	2873	2232	4153	0	0	1125	0	0	0	2616	3173	2088	0	0	0	0	2169	0	0	0	0	0	0	4318	0	0	0	0	0	0	0	0	0	0	0	2077	0	0	0	0	526	0	0	0	0	0	0	0	0	1113	0	4102	0	1800	0	0	0	0	0	0	0	2735	1437	3517	0	0	4578	0	0	0	0	24966	0	0	1768	0	0	3072	0	3797	0	0	0	0	0	0	0	5394	0	0	0	0	783	0	0	2561	0	0	0	1292	0	0	0	0	544	0	0	Organosulfur	0.42857143	2.7142856	0.85714287
22	C16 H18 O5	291.1227	291.12305	0.12102506	291.12274	307729	302779	240611	290396	343907	308001	183756	274008	338017	331488	206510	196588	380835	282082	264932	285126	217055	498588	357595	379162	358606	312558	306775	340531	275396	245816	167050	205733	299427	228338	244034	270687	349660	257116	379274	253617	395834	224314	207743	288906	223169	249282	56459	38927	53037	228763	182240	48859	267790	224653	283189	280385	294938	39826	421966	327093	228511	308463	225077	151486	305813	199423	411457	339021	173247	411512	288132	214969	215408	347611	301553	247811	202526	214606	150548	252619	40094	209050	308194	165980	265273	167053	183509	185826	338296	241919	303861	259934	285028	244679	327282	321412	373482	189906	257632	51302	262000	290720	264523	367092	351462	343356	214248	274283	177599	270065	233863	45475	238374	491222	Phytochemical	0.3125	1.125	0.0
20	C16 H18 O5	291.1227	291.12305	0.10427795	291.12274	761715	804733	773449	645130	913361	773139	435810	682608	878611	1059319	589813	427992	1269559	659598	642711	698210	468490	1273706	1279249	1180356	1096469	827404	635770	752567	562302	729847	429569	617800	721962	549366	521655	620110	916231	631263	1114820	585397	985184	517037	484982	847543	683631	637515	68995	43725	50158	574836	505061	53614	673690	491516	756598	772443	763258	40666	1083282	768821	538474	800107	599676	391656	722711	566065	1031532	824116	418163	1031230	729696	518665	612088	874082	860548	588554	570179	541295	472419	617441	46691	471895	714962	550753	569292	403795	504698	554602	750260	560430	737754	638344	681778	697670	873799	863737	981900	587776	684699	62005	754371	795842	679654	766629	801363	832104	468975	747518	422067	663254	623050	47544	542299	1271174	Phytochemical	0.3125	1.125	0.0
8	C16 H18 O5	291.1227	291.12317	0.11457359	291.12274	559088	591996	364328	541234	342844	140434	417956	561898	464388	483370	367430	392738	195690	115325	458912	307007	561240	418866	568634	727240	658366	661024	516488	662322	173946	758460	440840	166828	476254	505376	468908	527826	512082	371956	645666	243111	239502	434296	672026	527418	590506	361244	30788	21830	34660	550228	578050	29723	565552	506288	507020	545792	349092	25980	285011	195697	332574	582986	215633	521840	305528	345472	214339	436960	137152	382464	307208	627982	364250	805940	1013976	439144	454200	474420	447018	612836	26359	191129	686956	147953	604336	492142	538398	397194	221247	141175	607294	290232	414568	709888	174997	227526	660796	386114	464388	34686	543812	273261	202112	503214	229820	535108	447080	596224	157960	451406	182942	21615	475268	427646	Phytochemical	0.3125	1.125	0.0
14	C16 H18 O5	291.1227	291.1231	0.13613318	291.12274	1685425	1720209	1482729	1679708	1459966	1140893	1186500	1468719	1521497	2150068	1486785	1037240	1786704	868156	1157375	1658721	1462751	2018720	1940413	2758320	6008658	1904010	1328241	1492843	2200124	6597930	2315798	1523397	1287782	1320830	1176930	1419053	3633522	1170688	2553340	1298181	3157982	1114809	3203112	4240900	2020307	1151927	77965	34941	35338	1309423	1343010	43020	1520225	2366522	1547644	1491822	1357618	33103	1860462	1280592	980833	3547728	1131646	1244336	1577609	1339415	1795963	1636303	834198	1633230	1229644	2998874	2705358	7405894	7674406	2321420	1188260	1185222	1242255	1409422	28575	1010990	3165130	1192110	2814120	1070111	1249082	3142514	1493242	910333	3307610	1164367	1353572	1867068	1565734	1441425	3839374	1166666	3415570	61033	1653132	1580763	1214948	1499562	1446604	1595589	1069704	1572685	822983	2545476	1152575	34003	2299930	1579725	Phytochemical	0.3125	1.125	0.0
10	C16 H18 O5	291.1227	291.12317	0.118909515	291.12274	1353258	1217724	1100178	1106494	948452	346618	475941	1330072	1053442	1252166	876786	873466	516963	571538	938698	1528518	585647	1213008	1385022	1676472	1729164	1340892	1071866	1466824	437953	2228212	953720	398368	1169160	1134672	1036044	1140296	702079	936116	1429704	539988	622791	997700	715079	1352540	1386174	818448	54762	29948	41072	1164674	1100416	38986	622876	1077800	1269068	1313448	881504	32423	719058	472399	624566	756598	505500	569027	699830	790068	504002	1062444	549200	989180	762648	706384	970988	2402338	2597474	978886	950496	962502	1115850	1170544	33486	798806	1414490	342549	683556	923034	1033994	838294	1157514	749620	1371546	733372	449728	717486	475968	520696	1446454	867536	1171352	45417	1208474	1277882	442679	514367	1074638	615264	900228	651578	353310	529287	870992	31728	1013194	562367	Phytochemical	0.3125	1.125	0.0
12	C16 H18 O5	291.1227	291.12314	0.124925874	291.12274	1097405	1353825	2456938	2472858	931821	638440	912957	2179374	996030	2658014	1007070	636740	854445	498581	1564934	2795890	2134892	1192249	1394361	3472934	3499772	1295113	949696	1174980	1436418	4111986	1859496	841245	2128876	1854458	1779972	2180548	2471150	1795100	3129768	1801084	2164178	1622222	2558568	2554210	1429769	769416	51697	31313	36004	1895464	987771	39345	2485972	2010188	2516024	2553284	1745090	29680	1286609	784038	685126	2657550	793669	991879	1312081	821758	1196163	962892	536827	1062324	755721	1131176	2005255	4950738	5443034	1704628	889893	847572	2147264	2149724	24783	1488880	2272014	697601	2099148	853920	1824552	946069	940836	673336	2280146	1438774	1733606	1383753	1033366	1090578	2622868	791365	2399722	53260	2573094	1264522	850478	855911	892670	2341838	1516618	1104584	625538	1887184	849784	32398	1643318	1172763	Phytochemical	0.3125	1.125	0.0
18	C16 H18 O5	291.1227	291.12308	0.12144777	291.12274	1426556	1378463	1300624	1260461	1376082	1157518	862979	1223488	1207668	2094081	1310201	729123	1912155	967954	1027975	1263738	908979	2038000	2011636	2391920	2119645	1524563	1140843	1238078	875802	1686238	799504	1265327	1200977	1019966	1041590	1176403	1543779	1192775	2080115	1101481	1583018	879666	992348	1730977	1459861	1083768	79387	39502	57703	1013425	813850	47239	1273730	948654	1381442	1362286	1219045	45830	1837099	1161504	838372	1432876	938155	768482	1249492	1174825	1700350	1318449	663908	1643356	1167365	991852	1449818	2112987	2067496	1013958	906438	963303	846786	1101123	42140	778496	1209351	991310	1009729	812870	847132	1067704	1268691	974530	1151742	1079017	1164494	1020947	1512108	1543461	1558079	1030436	1579271	63949	1315834	1336499	1084652	1198327	1264681	1403605	744136	1257798	554310	991234	916251	43524	863258	1678500	Phytochemical	0.3125	1.125	0.0
16	C16 H18 O5	291.1227	291.1231	0.13520409	291.12274	1680257	1839640	1645996	1726411	1702239	1338130	1183510	1436892	1607590	2563314	1607440	989123	2031290	1024756	1287129	1677335	1434806	2333097	2443662	3042519	2909175	1907914	1365791	1616307	1107313	2753294	1075937	1404183	1364801	1263239	1380431	1511055	1860202	1279734	2799051	1431178	1870925	1083130	1524085	2293843	2039479	1268730	79028	39566	48858	1289801	1262142	47691	1725333	1276572	1750612	1772901	1542756	39973	1933833	1410712	1028347	1817659	1161461	1158615	1547062	1414627	1913894	1599229	796513	1928063	1376636	1404324	2442491	3526015	3237565	1336729	1303860	1215717	1326536	1442216	39454	945010	1632810	1304641	1205161	1090243	1248328	1627566	1579499	1057994	1600315	1334796	1447105	1661560	1627273	1702483	1951512	1317947	1952747	59264	1703067	1791144	1294574	1449558	1588054	1777721	916145	1456301	708544	1355289	1315159	38593	1214294	2110665	Phytochemical	0.3125	1.125	0.0
6	C12 H19 O1 N4 S1 Na1	291.125	291.1254	-0.6683912	291.12482	0	0	0	0	0	0	0	0	0	0	0	511	0	0	1014	0	0	0	722	0	0	0	0	0	776	0	0	0	0	0	0	0	0	0	776	0	0	456	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1261	0	0	0	0	0	681	0	0	0	0	0	0	0	0	0	2123	28921	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.083333336	1.5833334	0.33333334
16	C15 H18 O4 N2	291.13394	291.1343	0.057008784	291.13394	95067	100040	114009	120058	78442	81427	102106	117405	55019	82855	69297	89433	60306	63271	94241	158790	182094	99174	110536	105025	96431	148356	94050	166941	97047	68539	107958	71866	105897	97407	125098	135428	159682	98276	82546	114943	153259	83918	197910	114700	152085	87423	3046	2561	1556	71718	90275	1692	142852	108473	106856	104385	91350	1652	46877	38663	59281	158613	66493	90611	156420	67929	59540	53931	55826	71574	95475	213878	68369	96298	116320	89410	80329	77825	120254	86936	1136	68029	136869	104713	93115	59927	73995	81888	51667	65261	189045	102920	97454	306299	118241	125202	243421	82208	109528	2035	116873	110036	42311	44452	52062	165936	65559	97362	39473	163494	55760	2022	133677	79050	Peptide	0.26666668	1.2	0.13333334
2	C15 H18 O4 N2	291.13394	291.1345	0.094225384	291.13397	154647	154713	138513	145881	101939	98180	123881	190646	79629	161708	97059	138875	105774	57574	144746	134135	240228	151163	166407	175139	238426	193241	134004	172348	107527	81962	82156	79561	223180	147448	180196	189640	278626	166952	217803	194505	238020	112066	245234	168274	182955	126172	1315	1067	1004	103088	125512	1261	195103	136886	142045	148017	123848	1056	111145	45411	60287	179003	55530	105277	127138	84934	111140	112381	56068	130355	144692	275365	93033	145403	152193	154808	170044	150160	155000	167338	678	138451	144875	77785	120044	61902	76590	88436	66355	73930	128658	148421	157073	251397	112199	142670	296249	111503	123566	2253	153637	167568	56932	51724	57002	209050	122580	188574	71259	198228	54616	1323	119445	127555	Peptide	0.26666668	1.2	0.13333334
6	C15 H18 O4 N2	291.13394	291.13443	0.07590058	291.13394	533683	559330	497636	521307	228242	252261	408647	545737	183228	507534	357970	330100	169275	143183	379312	666489	604250	330214	443105	501212	534069	515900	379013	651155	360974	245735	413527	572597	493663	452206	491280	545736	719500	512424	586252	461484	686031	364352	838447	344969	486696	297288	3326	899	1053	388365	396066	1055	658650	440654	564505	517399	287912	1391	199897	103852	165773	663400	138503	302742	568064	246503	169330	154894	136994	240688	319553	886795	237993	424674	458720	423379	406635	364672	433071	425091	802	314974	393204	476535	360961	216395	239449	281731	133902	179197	487036	378078	371177	884664	3540781	2003670	784313	457999	485163	2248	514369	461406	121750	123392	150586	696071	335899	408846	194880	586661	154683	1026	397577	244581	Peptide	0.26666668	1.2	0.13333334
4	C15 H18 O4 N2	291.13394	291.13446	0.105631895	291.13397	277807	331900	286813	283127	214776	183565	212631	310273	160287	317314	177399	212890	208339	128157	239291	333184	423176	267535	309501	356314	369683	384045	244050	353870	208276	188759	211126	158564	279748	232091	282581	295591	411439	245477	420417	284736	401602	214521	501908	301086	361308	198162	5157	1368	1133	259076	317246	1519	339835	275047	275304	234050	230931	1400	215180	107962	127642	301170	115217	210119	300156	198676	207773	185464	95553	217458	186301	450713	184348	266157	317355	242599	247225	261642	284403	256458	726	216436	294388	195794	270549	147672	161518	191808	153802	165082	282290	248164	247931	370588	314701	254666	477453	205546	323186	3793	265919	306396	133965	145548	164684	384355	218287	338292	160548	322611	151611	1549	226116	250456	Peptide	0.26666668	1.2	0.13333334
18	C15 H18 O4 N2	291.13394	291.1343	0.08889432	291.13397	44569	35854	33200	37853	27613	22366	34622	42231	13954	26939	31360	28786	19276	15368	31760	43111	53898	30944	29925	24137	32715	58166	26387	53578	28984	20115	28694	38972	53995	40798	47699	58971	72552	59315	25547	48749	59902	29655	63033	41551	52830	31134	2023	1741	1375	25287	30631	1515	60267	40752	38430	40523	26403	1586	17141	12017	13894	55394	20664	34254	51689	24243	11646	13000	15405	19877	29391	67862	22306	23816	31779	44540	40907	40316	42001	49047	1006	25774	38296	34898	34219	22025	27910	27666	11884	17950	43745	39109	31424	69530	66652	50521	86366	31856	34090	1943	40410	36027	18296	9452	10025	54595	29290	36912	10790	55447	14236	1368	42257	29480	Peptide	0.26666668	1.2	0.13333334
20	C15 H18 O4 N2	291.13394	291.13428	0.10997665	291.13397	10617	13897	13040	12802	8840	5016	9984	16068	7298	6046	7936	12611	3050	8156	14687	16835	12838	7232	7445	6256	8145	15180	14254	21949	12229	2787	9024	16958	18570	17388	13663	16506	19450	20071	9110	17307	19317	10730	18520	9380	12277	11340	1585	2040	1476	8547	6058	2126	15395	14216	9505	10856	13192	1498	4997	5972	6684	20278	5463	9558	17044	7657	2216	5162	4502	4980	8793	20465	4095	4011	5897	18606	13428	15395	9857	16558	901	6943	7332	18910	12747	6318	12003	0	6313	7657	14531	15938	12499	29157	15630	19087	30255	11037	9170	2072	7995	14450	4243	5366	3591	21966	10912	14993	4813	16833	6268	1979	10485	11248	Peptide	0.26666668	1.2	0.13333334
24	C20 H18 O2	291.13797	291.1383	0.13302863	291.138	9572	8753	8145	5833	10709	5685	3182	7237	7274	1603	9470	5838	4621	5246	4195	6323	7731	2139	8840	7933	5061	5980	4978	10476	5341	19133	4166	6554	6273	7675	6231	8366	5907	5713	5384	7737	5825	3319	6971	8202	11754	10734	3183	0	0	4139	9609	0	3546	5385	4287	7306	10585	0	2961	2784	6742	6000	4073	6443	4652	5991	2539	3264	3973	15546	23971	7181	18945	12310	16706	5091	5185	4578	3881	5714	0	5889	7948	6585	6223	5641	6183	7756	6984	8282	6620	7607	9257	11325	5387	3337	11448	5949	5304	0	5962	5041	6726	4376	4905	9468	3164	10034	3710	10367	7314	0	6623	3806	Phytochemical	0.1	0.9	0.0
22	C20 H18 O2	291.13797	291.13834	0.14693019	291.138	6085	7801	3862	7114	4754	3951	2066	6229	2744	3129	5523	6250	2976	5038	3027	8666	7021	6119	4889	4583	7116	4863	6533	7347	7560	16219	4029	5444	7268	9392	5023	6751	8965	4774	5463	7670	8211	3761	7696	4951	9965	7229	0	0	414	5698	4608	0	9232	7622	4725	7228	8123	341	2557	2053	5971	5967	4718	5260	5268	4149	2167	0	3740	6247	11020	10237	13218	8558	22292	6263	4627	4515	3695	6246	0	3528	7014	4076	7097	4290	3905	4666	6188	6202	8174	5781	4188	16461	7084	3808	15342	3044	3626	0	6182	5682	7753	3170	2777	10400	5657	7965	4730	8711	4128	0	6754	1962	Phytochemical	0.1	0.9	0.0
16	C13 H22 O7	291.14383	291.14423	0.33272707	291.14392	4643	1924	3057	4735	0	0	0	0	0	0	1236	0	2311	0	5035	2859	0	0	0	0	0	0	0	0	0	0	6224	797710	0	0	0	0	0	0	0	0	0	6715	0	0	0	0	1134	1216	677	0	0	1300	0	1138	4341	0	1469	1152	0	0	0	0	0	0	0	0	0	0	4970	2034	0	0	0	0	3158	0	0	1374	0	0	916	0	0	0	1064	0	0	0	2407	3332	8852	1658	0	0	0	2987	0	0	0	691	7227	3681	0	0	0	0	1170	0	0	0	1298	1320	1500	0	Lipid	0.53846157	1.6923077	0.0
18	C13 H22 O7	291.14383	291.14398	0.04431102	291.14383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38509	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1128	625	450	0	0	708	0	0	0	0	0	701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	646	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	623	0	0	0	0	0	0	0	0	0	0	0	547	0	0	Lipid	0.53846157	1.6923077	0.0
6	C13 H22 O7	291.14383	291.14432	-0.11805556	291.1438	2196	1686	1832	0	0	1234	0	2047	0	2338	3311	0	1317	0	1232	0	0	1505	1444	0	0	0	0	2084	844	0	1165	12819	2475	2871	1482	0	0	0	2311	2508	1334	0	0	0	0	1009	0	0	0	0	0	0	2650	2330	1442	1523	990	0	1078	583	0	0	0	0	0	0	1509	0	1199	1441	0	0	0	0	0	0	1627	3489	0	0	0	894	0	51523	0	0	0	0	0	0	0	0	1251	0	0	0	1540	13147	7439	0	0	0	0	676	2034	0	1478	0	0	0	1457	0	1104	1850	Lipid	0.53846157	1.6923077	0.0
8	C13 H22 O7	291.14383	291.1443	-0.005852377	291.14383	2139	2736	0	1394	875	1892	0	2119	1656	2007	6309	2361	2872	2096	3015	2008	1013	2797	2483	0	0	0	1219	1505	1416	0	1190	26226	5935	5068	3737	3946	2178	3965	0	3367	2089	2178	0	0	0	1564	820	0	0	0	0	0	6632	2716	0	2172	2629	0	2276	1000	2433	1774	0	0	0	0	1087	1829	2147	2258	1986	0	0	0	0	3284	2781	4801	988	2599	0	2256	2040	112819	0	0	3710	0	0	0	1261	926	2169	2312	0	0	1787	19218	0	0	0	3668	0	1428	2725	2794	0	4106	0	1288	2490	0	1536	2147	Lipid	0.53846157	1.6923077	0.0
2	C12 H22 O6 N2	291.15506	291.1556	0.12478287	291.1551	17147	19929	15566	18327	17254	25237	14929	20185	16170	2858	4336	15052	38315	15556	17553	16606	28029	25804	24081	2812	2944	16977	10576	24310	12776	0	21895	13209	23616	21691	22282	24984	29968	25267	4860	19306	23800	14389	24749	1715	0	16374	1706	0	0	5150	1524	0	23907	16015	18509	19421	19981	0	24491	28565	9681	30132	2883	2086	15545	406	22764	17729	9664	40811	19206	24730	0	1601	904	22820	22287	28134	7335	16878	0	12840	11292	0	8883	1570	1739	0	14758	18510	13750	22223	17846	39323	27214	27325	40632	3537	1868	0	18515	18215	15586	15551	24736	19658	11930	4852	1748	23739	16653	0	10404	41206	Peptide	0.5	1.8333334	0.16666667
0	C12 H22 O6 N2	291.15506	291.15564	-0.058085088	291.15506	16851	19404	16009	15335	20887	19060	3487	29286	11930	4404	1409	8967	32100	18421	5652	4346	10156	34453	22471	3307	11246	19896	13431	21850	7224	0	0	7749	49146	9810	31902	27583	75526	34041	9984	26137	36302	7589	8610	4216	0	29885	35321	0	823	8311	0	0	28833	11754	17404	13848	26006	326	15107	4786	5033	33146	4367	2200	10617	859	23597	16887	10620	44543	41216	11936	627	4041	0	33536	45816	21800	3083	24808	4596	13379	4960	0	5024	1062	0	0	4852	5008	5451	20789	23661	203508	37413	28875	28021	2735	0	0	19025	15834	4957	4452	5442	22742	7308	4698	5697	32214	9583	0	4863	54654	Peptide	0.5	1.8333334	0.16666667
22	C15 H23 O4 Na1	291.15668	291.15723	0.7001643	291.1569	5100	4069	4029	0	0	6260	5456	0	0	0	0	3797	0	333608	2457	2539	2706	0	2146	0	0	2601	0	0	1621	0	6294	4839	2616	0	0	0	2796	0	0	1247	0	2819	0	0	0	0	19178	0	1058	3396	1169	3098	0	2812	0	3057	3559	2295	0	3054	0	0	3052	0	0	0	17300	0	101738	2586	14809	0	0	0	3457	2271	0	2043	9407	0	13555	0	2660	3463	0	0	3044	5265	3200	3660	0	2928	0	0	0	0	3027	0	0	5744	3736	0	4543	0	4929	2182	0	2241	3012	2199	1529	0	1929	3053	Lipid	0.26666668	1.5333333	0.0
24	C17 H22 O4	291.1591	291.15942	0.11272169	291.15912	422118	421962	374471	387664	487292	414794	386921	396351	395241	472636	311366	261766	519909	429619	397719	437889	328243	604091	693069	596899	537985	386523	350385	457428	345415	360132	311287	368387	439273	399873	374494	467369	551077	418863	517887	469832	656925	279315	340133	368199	303658	345312	50280	31309	47532	300190	218619	39278	485186	345539	412295	388574	420894	37818	535404	458135	347195	540161	332851	205874	472844	259955	444331	406785	249389	541359	461214	330875	278284	400914	388186	375973	349010	389389	278693	406355	41093	319510	360567	250223	270036	226192	303677	295233	426502	288432	393934	311570	404362	364016	581608	530893	558133	276797	416665	39688	396163	435839	364531	354630	386302	568693	278876	457534	246367	410036	320272	33314	307460	490781	Phytochemical	0.23529412	1.2941177	0.0
22	C17 H22 O4	291.1591	291.15942	0.078803025	291.15912	1166298	1141711	932995	1142075	1124612	1010101	878987	1044578	983976	1644154	1018092	663831	963870	929507	921886	1164193	938028	1561492	1251734	2038732	1887933	1229456	860828	1083092	967557	1164932	815202	1073845	1282474	1018865	988334	1199832	1458294	1142737	1562915	1202230	1561051	798325	999570	1118649	1011134	852445	93841	52109	48225	801959	712916	57148	1270754	871032	1114157	1082195	992185	45939	1233005	905757	737300	1343256	894052	640818	1195763	798251	1047437	945427	573794	1187355	1041716	950951	950545	1499849	1425600	955142	888740	941383	758608	1080535	41086	725827	910065	799947	718215	598761	904420	889216	953200	788216	1046600	948852	999523	1038750	1571259	1565816	1261263	953616	1369761	65249	993770	1122354	884659	983910	926977	1509601	715123	1236449	651111	1042261	837050	53984	818912	1213673	Phytochemical	0.23529412	1.2941177	0.0
26	C17 H22 O4	291.1591	291.15945	0.110562414	291.15912	126057	123370	111741	119892	136406	95741	97688	137117	118934	101085	85859	92805	140664	120800	123645	155363	110837	160845	190756	156631	146402	125226	115114	136918	103921	104440	90887	98571	150779	135272	131616	153306	186821	123981	131633	166262	184331	103245	119347	113460	101062	104875	23695	19930	34648	86030	68688	24666	155948	115531	121558	129221	115816	28476	142496	123549	85124	179470	95910	69146	164665	67055	137760	113356	76754	136767	130986	128239	101620	137845	126080	111226	118949	142687	93242	153042	28157	96012	121126	89002	104236	71739	99264	84614	144320	93592	142269	102329	115255	116128	178330	133200	178426	81972	104720	28673	122445	139229	109020	155962	162868	187130	108662	120331	70584	112816	104261	26722	105715	138328	Phytochemical	0.23529412	1.2941177	0.0
22	C16 H22 O3 N2	291.17032	291.17065	0.02414661	291.17032	1552	1338	0	1971	2866	1402	0	3656	0	0	2094	0	2935	31291	0	2928	2822	0	1784	0	0	0	1192	4316	2565	0	0	3360	2088	2874	2108	0	0	0	0	2741	0	0	3526	1439	1518	3341	0	0	0	0	0	0	2458	1845	1836	0	6009	0	0	1959	2699	1548	0	1531	1624	0	0	1024	2335	3501	5845	0	0	0	0	1207	1734	0	2089	1097	0	1125	0	0	0	0	0	0	1737	1816	0	1796	2469	2673	2367	0	3706	0	0	0	1639	1583	0	0	0	1894	0	1757	0	3484	1076	0	1260	1675	Lipid	0.1875	1.375	0.125
12	C16 H22 O3 N2	291.17032	291.17072	0.007427141	291.17032	27760	26857	27488	30602	9602	9168	18230	34369	7623	31865	22846	21332	5179	9114	20172	47840	40747	10818	18453	53494	46521	47200	20129	47823	28264	35600	19701	30730	24306	24643	21690	35541	36381	45058	43294	28830	30987	19138	53171	41760	70803	17582	0	0	0	40199	39416	0	35077	28996	33193	35648	10701	0	7239	3738	6515	44349	15378	33800	30995	20195	5470	5283	6927	10221	13851	47540	23538	47693	55553	32596	29962	29609	35144	25324	0	20094	21899	78034	25162	19103	21397	31152	6204	7088	25195	24829	18235	57510	228478	81744	64989	40323	55231	0	32420	29625	5978	4217	5609	40673	22187	31321	0	37085	6545	0	26056	12573	Lipid	0.1875	1.375	0.125
18	C16 H22 O3 N2	291.17032	291.17065	-0.012225477	291.17032	13043	11992	11470	13293	7073	7649	12640	17273	3425	7710	7897	9837	3886	10759	11108	20130	14290	12445	6981	7875	10721	10256	7093	18197	12500	8006	11969	6288	13567	15471	7947	15585	21597	18752	6720	15750	19659	7985	18737	11643	15657	11238	279	0	0	7480	8638	0	20445	14414	11723	11808	8961	0	4533	2984	8970	18088	5969	10212	19531	4268	0	0	6994	8228	12344	15826	10419	7356	13871	12435	12266	11938	13467	11323	0	9784	11644	12025	10014	7005	8837	9552	3785	5706	17122	11746	10089	19417	24135	17897	25088	6233	8835	0	10893	10477	2424	3080	0	18650	6184	15906	4398	17502	4873	0	14660	0	Lipid	0.1875	1.375	0.125
16	C16 H22 O3 N2	291.17032	291.1707	-0.007103921	291.17032	33200	25329	21882	20830	13968	17292	22645	28353	5252	22422	15403	15866	5577	12494	23993	34764	37874	22323	22818	24967	23775	42289	23685	44530	25074	15560	18358	14576	25212	25796	32171	33156	60765	25394	30214	27679	65125	15252	44240	27797	48048	15436	0	0	0	25096	22926	0	40697	23578	27520	21464	13427	0	5515	4213	6742	37353	13381	50117	20903	17266	4671	6479	6736	16077	17563	37850	12515	18521	22342	36608	27790	21479	24931	23046	0	16359	24901	29778	18534	15350	19776	22117	2830	7661	27204	15177	20866	80839	66383	38949	60547	26611	40003	0	28757	30753	4264	5504	7229	52903	16140	39079	9254	47340	7850	0	27725	18490	Lipid	0.1875	1.375	0.125
14	C16 H22 O3 N2	291.17032	291.17072	0.014686485	291.17032	33205	37511	34109	32721	12934	9954	30760	34042	8517	39580	18567	21509	6591	19105	24812	48513	49057	10240	11190	42939	44145	48205	18668	36844	25591	32847	25478	17874	30962	38521	28284	40476	43463	30472	30444	33603	36829	23669	53473	49066	73984	13941	0	0	0	30170	45997	0	41239	29617	36120	30009	10362	0	6398	4586	11090	36439	12320	37719	27345	22700	8037	8872	5949	16514	18492	56097	19711	35337	48009	32821	34095	30140	37088	32462	0	19923	39169	25023	26616	20943	32536	28236	5576	7289	39845	17012	18065	73992	63017	49339	62298	32218	49519	0	34138	22419	5364	6843	4898	41401	25406	37340	0	34462	5815	0	33930	6353	Lipid	0.1875	1.375	0.125
20	C16 H22 O3 N2	291.17032	291.17062	-0.009132544	291.17032	5529	3275	2719	2478	8613	3515	2497	4285	2750	3346	2956	2315	3376	23049	0	4851	3225	1914	2381	0	0	4317	2513	4354	3992	1553	2432	3941	4294	2619	3469	4978	8206	3134	2323	4471	6428	2544	4115	3638	5711	5147	421	0	0	2808	3005	0	4979	2187	5843	2853	6186	0	0	4690	4433	8008	2952	2730	3425	0	0	0	3020	4512	12243	5179	1828	0	3735	3552	2972	2866	4758	4236	0	2817	2985	3398	1728	0	2606	0	1320	3038	4546	4549	4078	11388	7183	6679	5854	1969	2008	0	1650	3524	1905	1392	0	6651	4626	4466	2139	5963	2958	0	3857	0	Lipid	0.1875	1.375	0.125
16	C14 H26 O6	291.1802	291.1805	-0.052786145	291.1802	0	1607	1893	0	3260	1425	6184	2141	2134	0	0	2245	25724	1633	3186	2996	4733	0	0	0	0	0	0	2998	0	0	6617	0	2277	2252	1631	0	0	0	0	1634	0	2858	2929	0	0	0	3462	2910	2322	0	0	2790	0	0	2561	1717	2224	2611	0	1493	2746	0	0	0	0	0	0	0	3088	10048	1917	1365	0	0	1961	1660	0	0	1992	0	2769	3568	5071	0	1405	1560	1403	0	0	2509	5571	2079	0	0	0	0	0	0	0	2920	1518	1798	3100	0	0	2539	0	0	0	0	2037	3549	3044	0	Lipid	0.42857143	1.8571428	0.0
0	C13 H26 O5 N2	291.19144	291.19202	0.003002848	291.19144	3033	3376	2770	3381	7273	0	2027	3826	2049	0	0	0	21937	0	3395	2490	4646	11837	4351	0	1510	2784	2874	3115	2512	0	0	0	3643	0	5010	0	8740	9328	1385	3481	5807	4332	5105	0	0	1977	0	0	0	0	0	0	4254	0	3033	2834	5094	0	2194	759	0	5697	0	0	4370	0	4605	2262	776	23422	3256	5408	0	0	0	9520	5687	0	0	0	0	2237	2545	56207	1664	0	0	0	1479	1559	2267	9765	3871	4744	0	2931	5710	2651	0	0	3256	2578	668	1132	1227	2563	0	0	0	5340	1747	0	2296	19677	Peptide	0.3846154	2.0	0.15384616
2	C13 H26 O5 N2	291.19144	291.19196	0.02691272	291.19147	5198	8132	6936	5744	5428	0	2054	4944	2832	996	0	1428	21196	2248	3190	8682	1912	11986	5910	1202	946	6222	6896	10944	3110	0	0	0	9894	3902	6864	7540	6698	6512	1284	4594	9990	1814	3710	0	0	0	0	0	0	1710	0	0	7444	3150	5520	4798	4460	0	3778	1004	1140	13758	0	0	6726	0	7580	3742	0	16486	5974	2827	0	910	0	9474	2766	4244	3205	3012	0	2180	2904	33776	5872	0	0	0	1098	980	3854	4798	3720	9700	7346	10460	15146	5424	10732	0	9182	6818	1190	1590	1136	5504	1760	2112	658	6882	2614	0	2710	14318	Peptide	0.3846154	2.0	0.15384616
12	C18 H26 O3	291.19547	291.19586	0.06597917	291.1955	15871	14451	13573	18124	4176	6350	15178	7161	5830	2220	5858	6426	1674	6969	6138	26770	18010	5187	4820	4946	2437	15586	7292	11923	8808	3584	26904	0	8880	14502	11581	16686	11016	6373	4631	14020	11279	7933	21171	3513	0	5963	2943	2048	2387	4931	13845	3288	11706	17587	15555	16257	4776	2146	7521	6443	5838	15429	0	7638	0	0	4825	2832	4925	2302	5776	20860	0	2120	4266	4738	5749	15702	25372	17557	2035	7263	11410	0	9048	5061	9040	5260	6110	7259	12901	4768	5955	27924	12441	10924	17464	4092	10347	2679	13106	12245	8078	6858	11926	15494	8073	5273	0	8213	6999	1946	10677	2377	Lipid	0.16666667	1.4444444	0.0
14	C18 H26 O3	291.19547	291.19586	0.067433245	291.1955	29823	27099	26132	30632	13998	16485	49562	31622	14958	9860	8138	23643	10547	19927	21802	38615	66675	9824	19938	10554	11978	20135	20736	24673	27298	14517	47368	0	22313	32147	22839	44678	28955	23834	9543	30160	25078	24995	59007	12075	18034	20846	0	2789	2467	15194	12376	3457	32235	23306	29885	26840	14508	2382	14436	19471	21672	38629	0	23693	0	0	12202	11931	19486	15942	17761	68796	0	14448	15236	19359	21403	34763	52817	30748	1932	15029	31366	0	24223	15458	39464	26517	27913	20320	36449	14837	19078	91807	67075	73758	34625	15273	21649	3113	24597	25413	17561	34031	60783	34669	19368	22216	0	30081	23391	2089	35912	6476	Lipid	0.16666667	1.4444444	0.0
2	C17 H26 O2 N2	291.2067	291.20724	0.09430961	291.20673	3626	3172	3599	2867	0	0	2454	3257	0	2612	1612	1751	0	0	2564	7826	3191	658	0	2539	4439	19212	2546	5012	3501	975	1592	2086	1734	3365	2913	2899	2657	2684	2888	3324	2620	2281	3563	2446	1080	0	0	0	0	1411	2155	0	4143	3348	3476	3185	327	0	0	0	0	6127	0	0	5919	981	0	0	0	0	502	4906	0	942	992	2760	3013	2846	3910	2965	0	2525	4083	34063	3439	0	0	1926	0	338	5911	374	564	49245	9447	1085	23430	45898	40986	0	3893	3302	0	0	0	2336	1782	2228	969	7665	0	0	6040	0	Lipid	0.11764706	1.5294118	0.11764706
8	C17 H26 O2 N2	291.2067	291.20715	0.10352706	291.20673	1917	1503	0	4128	1118	0	2416	4269	0	2587	0	3168	0	0	1034	6353	4731	0	875	4479	3877	0	2425	6758	3938	983	4196	1746	3385	2767	2623	5456	4021	3793	2987	2342	4763	2512	3492	2708	0	1824	0	0	0	2762	3811	0	4477	2610	2535	3461	800	0	0	0	1136	7684	0	0	5309	1052	0	0	0	853	2432	7783	0	1621	1836	3291	3342	1859	5159	2553	0	1395	4142	0	1826	0	0	3585	0	0	5480	2332	1614	23385	0	0	18521	1994	5573	0	2526	2814	0	0	0	3021	1441	0	0	7801	0	0	3199	0	Lipid	0.11764706	1.5294118	0.11764706
24	C15 H30 O5	291.2166	291.21747	0.276059	291.21667	1138	0	0	0	0	0	0	0	0	2798	3910	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2219	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33166	0	0	31616	0	0	0	1542	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	250718	0	0	0	0	0	Lipid	0.33333334	2.0	0.0
26	C19 H30 O2	291.23184	291.2322	0.087160066	291.23187	178556	156414	170596	144561	125584	123589	508258	118468	54586	55559	152427	59207	76794	274530	84331	124253	139600	73959	126834	80365	62744	75290	51479	69184	90941	178586	478318	360659	125380	135848	73371	120237	100589	80883	68539	149183	75453	83768	153218	84560	106796	240090	16987	9539	15767	85026	84882	11672	120425	152688	175149	165081	104519	25252	70761	185637	495000	153352	72073	103622	140998	61794	97302	49123	697860	147776	250863	181076	100248	96395	101724	75672	76770	131891	126696	122004	18583	69816	96963	344360	56118	197647	157208	140473	388024	934522	245643	279640	139347	246639	700651	863375	96371	109666	95866	13471	172123	195840	146452	329164	984695	120362	57611	126454	148212	71236	651337	10351	114890	55221	Lipid	0.10526316	1.5789474	0.0
28	C19 H30 O2	291.23184	291.2322	0.039684553	291.23187	35248	31590	33380	33541	27970	22552	78367	39774	25432	18308	35017	22164	21878	36138	31767	39959	33664	21903	35741	25962	22761	18743	23550	25094	35192	37056	57438	87029	39239	44858	24187	35405	29865	23466	19612	53235	23765	32217	29377	18353	26867	62902	10897	11687	22345	27579	26828	10795	27883	42752	35371	33410	32780	21730	27404	31101	126825	36375	38338	24630	35511	30774	21202	19395	118314	36484	69945	37659	34447	18498	19142	18141	21145	44064	30209	32589	24795	23137	29786	78969	19231	51919	36681	32073	111624	215700	73271	41816	30906	45041	166741	170387	21769	34015	26149	12316	33152	38170	37103	35869	104227	39924	23451	36857	52796	23100	196290	12069	32419	14057	Lipid	0.10526316	1.5789474	0.0
20	C19 H30 O2	291.23184	291.23218	0.18135348	291.2319	4376	4457	6207	4172	0	1260	21259	3405	0	0	0	1455	0	6991	3782	9595	18641	0	0	0	0	2033	2426	2599	5366	3068	26051	2721	4257	5904	2283	5195	3716	2752	0	6364	2212	3253	17402	0	1394	3888	573	0	0	0	3689	0	3983	3620	4733	5553	1396	272	0	0	2317	4463	1015	3449	5474	1152	0	0	3632	0	4564	17845	0	1668	2093	2522	2300	4671	16710	3113	0	2560	5012	23367	2256	2769	19845	17788	1966	3237	11617	1147	3714	32180	87095	69889	2434	2967	4767	0	5667	5991	2076	2382	2469	3650	2618	1789	0	2909	2679	0	7817	0	Lipid	0.10526316	1.5789474	0.0
22	C19 H30 O2	291.23184	291.2322	0.07086615	291.23187	28566	35017	29484	36044	15932	13083	208467	23730	7697	6748	19402	20713	8557	72651	20545	41842	79179	10099	13825	11315	8951	17491	13976	14043	28581	39126	217828	39867	27535	28749	14836	29904	17300	19329	7055	34768	15908	21714	76732	6648	19599	17253	2587	0	470	16834	14151	0	25832	28941	32526	25049	14558	2824	8552	17084	22966	36306	8927	27447	37890	5672	25742	6458	57581	25445	40643	83833	13986	7082	16950	14260	16173	23009	65346	32315	707	10342	22294	153035	14045	25935	84251	99763	18099	36356	58343	20188	15723	115220	143122	132220	29191	28918	18241	0	28764	32630	19559	17332	32398	35205	13110	16021	13483	22981	19263	0	30959	10924	Lipid	0.10526316	1.5789474	0.0
24	C19 H30 O2	291.23184	291.23218	0.06489622	291.23187	120198	134841	115488	116159	82330	88772	544333	106717	31800	48226	97477	43340	51377	259358	62940	138747	160292	51614	74690	66478	53032	51114	44039	62024	74538	129830	542126	205984	89796	95294	53115	108507	82202	70849	47844	107820	62560	67445	159777	52597	84390	129713	12345	2828	0	67978	75049	3034	103242	140010	119836	117819	71600	16087	51244	113985	280555	124814	33459	79109	138154	36466	91110	32790	505525	108157	184653	155995	60352	73288	88711	66884	65530	100037	154396	102477	0	42487	94473	309389	48128	132210	153460	162196	201852	434972	158930	127155	105952	360592	366775	313435	95412	76943	92592	5793	115343	124798	113184	161099	596875	85877	43271	90056	69730	67391	359804	2273	90737	45394	Lipid	0.10526316	1.5789474	0.0
26	C16 H34 O4	291.253	291.25336	0.13687597	291.25302	320740	311088	300675	285826	697506	2480674	15808	11530	3464	11795	31662	4654	773617	6558285	0	10829	23037	210325	2552717	22240	13146	26336	0	22065	5984	40842	27514	77390	34132	12192	17376	25846	23161	6711	18409	17406	40625	9092	21743	11143	40199	3311638	8989	0	0	17516	49653	0	15262	12680	296308	284879	328451	21689	10128	27012	34920	10512	10208	35720	8548	9444	5834	9912	173380	386173	10230051	44265	13642	19701	30481	6541	22150	16733	10144	14892	0	6779	8630	70886	3358	24104	14862	13739	76601	209126	1809	673987	2560990	25117	19314	29716	24571	9414	12914	13469	290072	315187	46689	23568	82638	22340	5363	28024	17653	21589	141477	0	2909	4323	Lipid	0.25	2.125	0.0
26	C20 H34 O1	291.26825	291.26855	0.1485151	291.26828	19100	16369	18793	14615	0	6534	414374	0	0	3290	46546	3896	0	143061	8443	6017	10472	0	4136	5233	0	3735	0	0	5829	56264	411436	83293	5860	0	4312	0	2900	2785	2483	0	2885	14227	14031	0	21485	9820	0	0	0	6371	10835	0	5193	0	16571	16213	2261	0	0	17404	16884	6771	4453	34998	39565	11273	25987	0	184877	2211	15576	10847	37659	7884	13479	0	2844	0	0	5306	0	0	7086	39898	3323	27370	45900	69570	0	0	34754	3761	7979	22867	22284	8684	6345	14094	5838	0	16643	21183	32635	0	0	0	3308	24383	20720	2946	0	0	8084	7417	Lipid	0.05	1.7	0.0
24	C20 H34 O1	291.26825	291.26852	0.10559537	291.26828	3544	3692	2183	2404	0	990	71240	0	0	0	3266	0	0	28124	0	0	2452	0	0	0	0	0	0	0	0	4692	65521	5197	0	0	0	0	0	928	0	0	0	1579	4053	0	1693	1211	0	0	0	0	1537	0	0	0	0	1998	0	0	0	1668	2625	0	0	2794	3607	1104	8565	0	20624	0	1145	2417	1598	0	2171	0	0	0	2221	0	0	0	0	6494	0	2275	10628	10762	0	0	12276	1315	0	7104	5127	1910	0	0	0	0	2211	3440	5245	0	0	0	0	1325	1784	0	0	0	0	0	Lipid	0.05	1.7	0.0
10	C12 H6 O1 N5 S1 Na1	292.02634	292.02713	0.69200814	292.02655	0	0	0	0	0	0	0	0	15249	0	0	0	0	0	0	0	0	1439	3154	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1013	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25598	2368	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9160	0	0	9743	Organosulfur	0.083333336	0.5	0.41666666
20	C13 H9 O5 N1 S1	292.0274	292.02768	-0.17477882	292.02737	4195	5446	4615	2419	6795	4723	1421	0	157703	0	0	0	0	10423	0	0	2739	14025	22220	0	0	1975	0	0	0	0	2128	0	0	0	0	1858	9148	0	0	0	5520	0	4080	0	3043	1947	0	0	0	0	1749	0	0	0	5630	3976	6658	0	9845	1702	0	0	0	0	0	0	36020	9099	3698	0	0	1925	0	0	0	0	0	0	2083	0	0	0	0	1884	1208	0	0	0	54410	6907	0	7401	2795	4212	0	0	0	1998	0	0	2043	4676	9649	0	0	7607	0	0	0	0	7483	0	0	186819	Organosulfur	0.3846154	0.6923077	0.07692308
4	C14 H5 O1 N5 S1	292.02875	292.02933	1.0114726	292.02905	0	0	0	0	0	0	389	1609	0	0	0	0	0	0	0	358	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33390	0	1620	0	0	0	2644	0	0	0	0	0	0	0	0	0	0	0	0	1662	0	0	0	0	0	0	0	583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1615	0	0	0	0	0	0	0	0	Organosulfur	0.071428575	0.35714287	0.35714287
18	C13 H9 O7 N1	292.04517	292.04553	0.06235687	292.0452	7153	3681	3868	4551	11478	5426	1683	0	10384	0	1399	2420	16189	6540	2807	1957	2764	15265	16329	0	0	4908	4011	4415	2336	0	1104	0	0	0	1318	0	3742	0	0	1760	4440	2369	3804	0	0	5458	542	291	505	0	1231	510	1507	0	4432	2778	9118	581	6593	5380	3939	2203	0	0	3000	0	21444	12703	5261	18051	7438	2852	0	0	0	0	0	0	1249	0	360	1900	6672	3091	3548	0	0	0	13872	5185	11090	5597	5728	6156	0	0	7913	3182	0	0	6740	4559	5935	8307	7550	3190	1786	0	0	3129	6496	0	2439	25871	Phytochemical	0.53846157	0.6923077	0.07692308
14	C13 H9 O7 N1	292.04517	292.04556	0.15104108	292.04523	4399	4745	6884	5471	18687	9530	2791	2076	14775	2509	2645	3810	26248	7772	4527	3454	6793	18704	18435	1831	0	11533	6845	5567	1881	0	2355	0	2927	0	4384	0	7784	1523	2088	2927	9386	4912	6181	2297	0	9303	0	0	285	0	0	424	3633	0	5985	8027	12707	0	17185	9344	6126	6456	0	0	0	0	32989	14202	6806	27519	8651	8165	0	0	0	1624	2004	1513	5048	1498	0	2769	9959	0	5739	1655	1563	1173	13099	6673	8867	12286	13201	13416	5853	2108	13054	7718	4198	0	6982	7318	7856	13425	15275	9255	3186	0	0	10980	9014	0	2664	30887	Phytochemical	0.53846157	0.6923077	0.07692308
12	C13 H9 O7 N1	292.04517	292.0456	0.22048268	292.04526	3698	7383	5005	4008	14786	5798	2418	2513	13099	0	2375	3654	18745	5673	2528	3525	6383	17390	14749	0	0	8492	5400	3156	2024	0	0	0	2797	0	0	0	6752	1453	2481	1892	3800	3997	4071	0	0	5295	0	0	0	0	0	0	1560	0	4810	6206	10678	0	11144	7760	5453	6084	0	0	0	0	31973	13531	4772	21551	7305	0	0	0	0	1274	0	1134	3029	1369	0	3825	5971	0	4596	1364	0	0	10437	4590	4734	9983	9781	8716	0	4476	8335	2813	0	0	3074	2732	7744	11151	9129	5217	2106	0	0	4958	8055	0	0	32973	Phytochemical	0.53846157	0.6923077	0.07692308
28	C13 H9 O7 N1	292.04517	292.04553	0.13213366	292.04523	8416	8174	9565	10825	5712	7218	7046	3719	6696	4136	1519	4832	10227	4826	4968	12099	18705	23105	22860	0	0	10904	8526	12477	4307	0	6501	0	5512	3185	4664	5164	13797	4674	2240	4288	11489	5630	18472	885	2382	10826	0	0	0	2994	2160	0	4685	0	10503	12005	11395	0	11949	3260	6304	12427	1687	3722	14627	1124	10293	11458	4323	14887	14255	23923	0	0	0	4167	3180	0	13049	5122	0	4452	18438	3093	13096	1016	1803	0	5699	3073	17114	15451	12184	37920	3431	5598	24900	2451	2580	0	10964	6979	4706	4556	4006	13070	5240	0	0	16016	3654	0	8887	14345	Phytochemical	0.53846157	0.6923077	0.07692308
10	C13 H9 O7 N1	292.04517	292.04565	0.2323581	292.04526	3090	2479	1221	4689	9494	2847	838	0	11774	0	2371	1778	19464	2998	1525	1797	3974	12358	12505	0	0	4311	2122	1352	0	0	0	0	0	0	0	1619	3835	908	2017	0	3314	2073	1581	0	964	3546	0	0	0	0	1452	0	0	0	2842	5426	4751	0	10898	6576	4132	1378	0	0	0	0	18519	12991	3267	13038	5822	2944	0	0	0	0	0	0	2230	0	0	883	4014	0	2678	0	0	0	10051	2046	4138	5796	5773	5231	0	0	3539	2418	0	0	3425	2241	7142	7832	6964	3273	2593	0	0	2259	6052	0	0	24756	Phytochemical	0.53846157	0.6923077	0.07692308
16	C13 H9 O7 N1	292.04517	292.04553	0.14844106	292.04523	2687	2774	2693	4367	16577	9383	0	0	11963	1719	1645	2776	20641	8062	3598	2813	3965	14980	12891	0	2787	5822	8593	2870	1433	0	1407	0	0	0	1950	0	4056	1242	2483	0	2224	2165	2227	1460	2118	7489	827	382	472	0	1919	1027	3169	1762	3450	5761	12513	301	10264	9219	4321	0	1884	1356	0	0	27402	11320	4371	20952	9195	3401	0	0	0	1532	0	0	1906	0	0	3899	6240	0	6683	1342	0	0	13817	6299	9281	9622	9732	0	0	2008	0	4474	1878	0	0	4792	7707	14022	10706	4679	1769	0	0	0	7024	479	2511	25021	Phytochemical	0.53846157	0.6923077	0.07692308
4	C11 H9 O5 N5	292.06766	292.06827	-0.053008903	292.06763	813	0	0	0	1202	751	0	0	1882	0	0	0	3909	0	0	615	0	22734	1218	0	0	0	0	1588	0	0	0	0	0	0	0	0	0	0	0	0	0	341	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1400	0	2420	254	422	612	0	0	663	0	0	2036	0	5175	548	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	524	321	639	0	1885	0	0	2325	0	0	0	0	535	865	0	497	0	0	0	0	1182	1299	0	0	1262	Unclassified	0.45454547	0.8181818	0.45454547
8	C14 H13 O6 N1	292.08157	292.08206	0.2050158	292.08163	65067	75155	46960	67080	69818	39656	27371	40596	92244	95440	79795	34344	129357	27834	31149	61659	54482	88295	101820	72353	108605	133038	45172	51518	20939	37139	31282	37131	29305	31754	31454	33414	53202	33228	133155	28300	53277	33853	60374	98868	178385	44013	1518	536	1019	56319	83880	685	44408	29565	59361	69279	57960	1230	115186	71981	44341	56015	35004	59198	55489	70847	137950	109355	37232	91835	49200	61778	93862	76667	168309	32557	30077	19913	35705	36437	435	27498	63920	62075	39277	40184	28305	40729	78826	34174	52985	55069	56317	105411	34036	54816	99207	104179	115098	1041	70429	66765	63753	91685	83750	51067	29006	52115	26031	59081	60558	521	31243	151252	Phytochemical	0.42857143	0.9285714	0.071428575
12	C14 H13 O6 N1	292.08157	292.08203	0.1925487	292.08163	117700	119350	133764	119999	119114	83181	67290	76361	124693	150958	117590	58522	142553	47304	57421	106135	98489	178396	191601	133264	152259	238085	87420	109911	54605	67594	69103	72159	63924	61236	61401	78057	129333	65340	195305	64529	123173	62951	122087	160308	309395	91193	2585	1270	1515	96021	157764	1589	84055	59677	126946	122209	100530	1656	160280	96986	68489	116191	72641	95558	133158	118167	185130	140454	48094	156193	85836	123362	106473	131170	204413	57570	61987	41926	78925	61920	946	61776	110595	119502	79773	85115	60159	81104	105405	69147	114103	93796	102583	205715	108973	130156	183429	189774	206181	1968	120797	138124	85562	104756	89834	127151	57441	93217	51544	122339	87886	1076	64901	228073	Phytochemical	0.42857143	0.9285714	0.071428575
10	C14 H13 O6 N1	292.08157	292.08203	0.20168106	292.08163	110766	100008	94337	93039	112004	62279	52396	69766	113585	143609	105654	57901	176238	47851	55256	109281	82709	150033	160797	107073	169772	183718	78237	96511	45249	72082	60296	66458	59574	50517	52800	61576	107524	57968	174591	50114	110688	58607	105822	159397	248506	70503	3588	984	1225	82449	122613	943	67768	51277	106924	111560	95513	1294	154335	97528	51767	105836	68967	92041	109599	108423	159473	138549	47961	143018	71012	107406	151183	128633	212595	60085	50747	35152	63083	54812	1117	48953	104446	104220	72585	70501	47150	61696	106973	60031	109239	88928	80582	161538	85652	95725	157960	157927	183482	2265	110017	107491	78015	113160	95745	95427	51471	81729	64848	102279	74684	903	61568	193177	Phytochemical	0.42857143	0.9285714	0.071428575
14	C13 H13 O5 N3	292.0928	292.0932	0.15004453	292.09283	5795	9270	6693	9344	5606	6571	3537	6008	4315	6553	3133	3797	6939	2104	6644	10459	13310	4779	6316	0	5980	8925	4063	7212	6053	1889	5016	0	6277	3127	3934	0	12237	5781	5330	3732	9919	6672	15573	7730	8139	6980	0	0	0	5135	5810	0	6956	2878	5453	6330	7738	0	6357	2317	2683	10347	0	5316	0	3518	5420	3981	4297	6906	5127	14601	0	1923	0	5710	1658	2368	4092	2936	0	4000	10251	0	8216	3003	4228	3592	4625	4069	12953	6509	7491	29102	10255	14627	21193	7087	8245	0	8228	6228	2634	2105	3789	5596	4570	9047	0	8704	4123	0	10029	9056	Peptide	0.3846154	1.0	0.23076923
12	C13 H13 O5 N3	292.0928	292.09326	0.18521446	292.09286	10335	14447	10343	11086	8237	5922	10826	7838	7743	9859	6976	8668	6381	4768	10579	9243	15583	17287	17891	6296	13286	20662	12097	22714	10570	1521	3800	0	8217	4126	8515	7772	17347	6446	14009	6292	13186	11137	26079	12973	22116	9274	0	0	0	8714	9843	0	11306	6037	14465	10726	12015	0	10532	4747	8126	13687	6065	14953	16143	9418	15484	9488	6619	14901	11688	23348	0	6222	9717	7972	5814	3713	7403	5616	0	7339	19295	0	12261	6866	7244	4701	7147	6516	18007	17645	10008	40114	10966	13971	28217	12511	11399	0	10282	10368	5256	4083	4952	10562	6702	8261	0	18381	5347	0	14138	14000	Peptide	0.3846154	1.0	0.23076923
10	C13 H13 O5 N3	292.0928	292.09326	0.20016983	292.09286	22280	19881	14840	20071	13785	13085	13443	14705	16183	20122	11784	12091	17623	7526	11001	21740	22839	22915	23624	12053	26159	39697	15881	23702	13290	4075	15994	6344	11003	7151	12532	14167	20645	10092	14780	9522	24958	15974	29862	22922	38699	14548	0	0	0	13629	18010	0	15067	11968	18088	16070	18316	0	19473	9932	10801	26523	16245	21621	25228	14734	20474	18621	8954	18334	15383	30131	9057	11834	16109	12404	8467	6094	11755	10014	0	10871	24731	11712	17635	11309	11668	10601	13311	12540	26775	18435	16716	57233	14940	20889	43395	20721	21172	0	17516	19811	9154	10546	11352	19770	13000	16182	0	25394	12636	0	19873	23990	Peptide	0.3846154	1.0	0.23076923
6	C11 H17 O8 N1	292.1027	292.1032	0.18244982	292.10275	14641	12289	13826	13806	25215	13311	8625	16583	25369	3706	6032	11794	57488	12404	14777	19202	13883	42496	36261	3035	5539	6357	19481	12447	5193	0	9624	0	13098	15784	17278	15474	19243	20397	6404	17380	20804	12243	11475	0	3273	21860	0	0	0	5908	2898	0	14469	13216	12691	11551	20012	654	32727	37450	12608	13816	5120	4420	16818	0	44181	27955	9600	29937	19217	13023	0	2008	0	12108	12338	15629	8128	9939	0	11754	7043	0	5567	1851	1271	0	33254	14421	8300	22951	18101	13636	3578	5530	16450	4463	3398	0	13234	16115	16643	29189	40917	24102	15381	4398	0	10538	27433	0	5512	49843	A-Sugar	0.72727275	1.5454545	0.09090909
8	C11 H17 O8 N1	292.1027	292.10318	0.18318067	292.10275	16416	17772	12636	15080	33399	23342	8657	14576	40783	4047	10365	16502	81165	18346	17779	21186	20263	54884	55091	6404	10015	8187	20022	13519	6153	601	8732	2482	16208	15907	16365	17037	19412	12598	6600	16599	20386	12123	14092	2560	7087	32189	718	0	350	5709	4933	361	16815	15630	15990	17206	28000	336	59682	42863	17660	15150	5502	6283	19826	2374	59343	50943	19961	45393	24846	16023	0	0	0	10214	14340	16019	17414	15104	263	12639	6496	5395	6017	2578	2407	0	42061	16864	10324	23667	26796	12096	0	8039	16028	6123	4291	419	18071	26980	31528	42855	52113	29134	12534	8224	0	13850	43478	0	6598	74953	A-Sugar	0.72727275	1.5454545	0.09090909
12	C11 H17 O8 N1	292.1027	292.10312	0.22384498	292.10275	4235	6496	7640	5298	30681	20591	3066	7086	34561	3688	5224	9484	48395	14114	8534	3830	11177	42185	48696	4013	7206	0	11899	7940	5364	0	2906	0	9276	5745	4557	5925	12116	6089	3042	6290	8956	4494	9160	0	0	23540	456	371	529	0	0	709	4616	5629	8582	6544	26744	480	46976	22614	12327	7228	0	0	0	0	47486	40787	10179	33172	21641	9220	0	0	0	5762	7790	6084	8030	4698	451	8110	5898	0	3379	1560	1726	0	29014	13453	3646	18024	22505	6090	0	5389	5836	0	0	515	7320	11881	20987	22733	26201	10204	8327	0	0	8044	30317	508	3254	50842	A-Sugar	0.72727275	1.5454545	0.09090909
10	C11 H17 O8 N1	292.1027	292.10315	0.17520317	292.10275	13726	15114	13010	12534	44690	23771	6202	7982	46412	3713	7968	9548	84640	17063	9020	10355	19762	63282	60821	4504	9670	5845	14407	5197	3162	0	5119	0	12809	11555	8621	11927	18757	7480	4272	10630	19058	7025	12004	0	6098	32057	1473	0	393	3396	3583	0	12130	12014	16624	12806	34419	965	66010	47426	16675	8839	3567	7878	0	2514	68112	50148	19980	45861	26349	14978	0	0	0	10458	11200	12161	15887	9294	0	9648	6595	0	5139	2222	1441	0	50582	16792	7734	23324	23009	4373	3961	9278	6782	5039	4987	0	14291	16840	34541	37501	44525	19831	9563	6619	0	7506	49258	638	2769	70934	A-Sugar	0.72727275	1.5454545	0.09090909
4	C11 H17 O8 N1	292.1027	292.10327	0.26963913	292.10278	5664	6550	5151	5975	13833	5868	2500	4749	9112	4421	2893	4285	21817	8228	3437	5780	9405	16716	13636	6078	7528	3170	5875	9693	2096	4645	2753	0	4494	3726	7349	4732	6262	7867	1234	7095	11920	4272	8366	4364	859	8190	0	0	352	2796	1456	0	5822	4210	4650	7027	8277	412	9819	14605	4869	9314	4007	1908	5353	0	14723	9470	4804	11095	11101	5503	0	3490	4274	8202	5099	7467	1935	3668	238	5214	3344	0	2598	1511	2845	1317	12009	6519	3784	10760	9420	4686	4918	6450	6736	4752	5086	0	4826	6082	7362	14984	20053	7155	5705	3548	0	10660	10457	0	1709	16157	A-Sugar	0.72727275	1.5454545	0.09090909
6	C6 H18 O3 N7 S1 Na1	292.11624	292.1165	-0.21710914	292.11618	1176	817	1733	936	0	0	0	2134	0	0	0	882	687	0	639	0	0	0	0	0	0	0	0	0	0	0	0	0	2036	0	0	965	0	0	0	0	832	540	0	0	0	0	0	0	0	0	0	0	1853	1127	0	0	0	0	0	0	0	0	0	890	0	0	0	0	0	0	0	1132	0	0	0	1102	2051	0	20064	592	0	688	797	0	0	0	675	0	0	0	0	0	0	1119	0	0	0	0	0	0	0	0	0	868	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.5	3.0	1.1666666
6	C15 H17 O5 N1	292.11795	292.11847	0.17176767	292.118	324175	354564	313824	337072	304966	180726	142974	443017	249207	447813	245459	228230	311180	154942	217618	489335	194158	318447	408956	421066	539290	528002	278578	527426	172485	310804	129574	158208	366981	350735	323043	408401	503699	380624	522891	334284	440602	160444	260698	293991	488316	228890	4256	1943	2440	286285	295872	2643	430004	348223	350155	337028	270310	2716	316233	150437	105551	484243	130685	225810	455878	243084	290904	232807	73973	313077	256844	268978	399198	518680	716244	359812	342309	338748	157407	344682	2225	220212	140190	128295	132929	162174	133502	195689	150462	115208	167562	278600	264465	311994	156055	242574	757765	232384	336651	3239	325402	280839	118711	144402	162099	465852	241207	265425	146194	458159	137466	2238	122252	400983	Phytochemical	0.33333334	1.1333333	0.06666667
20	C15 H17 O5 N1	292.11795	292.11832	0.14931124	292.11798	58942	49629	58653	45046	41715	42750	44910	68567	34103	71325	53837	48601	35668	22638	41057	89903	77236	57727	51714	41182	65811	75661	40071	76234	38002	20148	45222	47352	74519	70563	72309	68034	153931	81312	84816	59100	125920	32408	82142	67722	101766	52672	5417	5913	4745	34928	41148	5934	101796	50478	60465	58918	42358	4078	37535	24191	28486	90550	27391	35033	93194	50498	47293	32992	19464	41244	40743	95842	37995	52351	73900	58118	71086	44491	84724	71403	4057	41461	41858	70987	34934	26947	36037	39507	32875	28858	55325	57341	48182	69039	49239	54433	84525	65170	66881	5910	59026	51783	25257	29687	32276	138305	44254	41502	23161	81637	29638	4880	48737	55249	Phytochemical	0.33333334	1.1333333	0.06666667
18	C15 H17 O5 N1	292.11795	292.11832	0.15020095	292.11798	137012	138316	136362	135134	116831	118627	74852	128236	85966	225054	148012	71130	121734	77896	90322	160675	101097	145716	160361	151108	179592	270014	200592	236578	99480	100163	68983	331421	115619	95315	107552	128878	190555	147258	192655	109761	192572	71967	114365	220806	251846	100600	11244	3636	4672	126344	107442	4428	145644	89535	131549	147907	98516	4630	102921	70107	60745	193695	83309	91823	172492	145994	115733	85909	46730	131125	103309	111786	117022	166830	201910	110800	80509	75213	86633	113514	4059	75036	106220	184485	110230	83890	73968	128947	82181	71441	108670	113120	112696	148319	183512	189085	312547	168424	230759	6960	147003	127943	65467	60140	71381	161916	64951	125867	61770	233666	63143	5136	92488	130345	Phytochemical	0.33333334	1.1333333	0.06666667
12	C15 H17 O5 N1	292.11795	292.11838	0.12939593	292.11798	376320	456630	409562	408298	226421	174053	247345	318242	238466	613136	380057	190620	221746	108345	188621	440491	363122	326122	381600	698801	717498	698291	238916	449077	205412	587771	252987	302570	313857	308199	285658	368145	412822	313487	719821	322722	411825	221037	462894	681038	879284	221113	6903	2989	3762	386760	444023	4432	419501	323682	411555	439021	244575	3654	315809	159764	150519	415443	256655	358223	387625	396817	293426	251301	116347	280090	205674	416191	631125	831402	1017739	275296	283719	283706	362267	327866	2845	203472	266532	357743	228389	302403	287139	380609	190590	146389	295918	224616	223490	545745	456320	472107	540181	442045	665022	6075	447686	433804	189778	171471	165508	429515	196638	408089	172842	352804	184074	3160	220276	368838	Phytochemical	0.33333334	1.1333333	0.06666667
10	C15 H17 O5 N1	292.11795	292.11838	0.12352329	292.11798	381429	370166	361116	323046	221065	187320	211142	330351	224679	569922	305549	228984	269725	115904	201876	423131	363042	349126	371622	583891	704945	599098	241468	408143	202895	572866	235564	259041	287338	266074	258100	334021	438074	303448	653585	287875	430880	209629	455596	622504	762664	205341	8950	2983	4285	369844	398509	4171	359440	271717	372159	372503	218742	3925	332012	164479	117089	406379	267578	348947	398734	366490	253362	253781	119243	249186	196733	467280	592249	788227	868316	284976	247081	238964	312194	265045	3221	190561	288268	274913	253757	274546	252758	323971	208154	148383	288268	220372	228092	500404	301283	363835	516865	425852	661493	6578	388084	370112	167711	166305	166201	386579	203343	378872	210897	343859	170098	3536	226157	330254	Phytochemical	0.33333334	1.1333333	0.06666667
22	C15 H17 O5 N1	292.11795	292.1183	0.13413385	292.11798	16421	12753	10239	14841	16242	9632	8404	14505	10271	22489	16947	9170	11985	8126	11311	17094	12508	11952	13702	10039	18751	24187	15519	20744	10581	3221	8115	15756	15315	13906	13616	17320	22201	17523	15174	17835	18354	7808	12670	22947	28327	11566	3812	4713	4464	11349	13429	4579	18045	10872	15839	13419	8891	3910	12648	7874	7620	13613	8800	12169	17843	17831	11963	9068	5522	12731	10317	13982	12570	6893	15919	14648	15055	8007	8547	11943	3385	10269	13489	18137	10300	11565	8508	9608	13406	8616	17805	16901	11840	22743	21676	12888	19616	16974	29818	5497	12761	11940	7147	9139	9997	21044	11785	13664	6539	18235	6746	3514	12341	17148	Phytochemical	0.33333334	1.1333333	0.06666667
14	C12 H21 O5 N1 S1	292.1213	292.12167	0.054584697	292.12134	453136	436726	430598	444681	271904	251680	303169	326567	225903	826930	514294	239069	287373	152230	233405	394234	395861	402050	365371	738626	877341	766941	247971	395159	268498	574064	307798	451478	320570	308859	303509	388665	516965	342938	983414	320522	508668	224226	411881	816949	823464	256238	8719	3568	3619	331414	389080	4866	405584	280225	428005	398510	274820	3580	271235	161434	178082	471275	271811	302383	384800	471357	260242	250701	138100	321201	275799	438606	525353	840961	1013202	301284	282589	242607	304626	339151	2992	222481	308816	428738	254360	262784	294872	517295	187764	155344	347699	346742	342269	630669	540182	539668	609060	511456	777879	6423	432674	415759	161339	167548	176345	393615	232315	396327	210148	442691	156215	3679	291324	314795	Organosulfur	0.41666666	1.75	0.083333336
0	C14 H17 O4 N3	292.12918	292.12976	-0.015529947	292.12918	7857	10125	7557	9448	6105	0	5541	11251	8799	5379	3969	6967	6528	0	6791	2290	13523	11330	9397	5338	13804	12184	9767	8468	5150	3445	1568	6320	13142	4629	7758	9307	14457	11417	10866	9230	12667	6486	17061	6888	6991	9304	0	0	0	4814	4238	0	11332	7006	8863	6997	8316	0	7425	4640	4598	12966	4898	6813	5893	4747	10039	7383	10608	8060	10719	14888	2829	4077	3722	9723	11947	6713	0	9726	0	6388	8306	33761	6957	2540	5411	3168	6189	6160	10337	8538	10229	13165	12975	11604	17755	8776	0	0	9552	9592	4000	3730	6136	7565	5208	8236	4256	14372	5932	0	7912	11887	Peptide	0.2857143	1.2142857	0.21428572
8	C14 H17 O4 N3	292.12918	292.12964	0.06506477	292.1292	62605	62913	54283	58342	28334	28704	41975	64815	24838	53091	35040	46751	22616	14318	47636	89404	68843	35943	44186	59859	53616	101153	58175	0	51169	22398	47051	27950	55916	49650	56407	63277	69105	59242	53909	55397	68395	50822	84819	68397	78424	36466	0	0	0	59579	57014	0	74501	57858	58014	61190	33621	0	30017	13134	26327	92383	35413	54919	84368	41420	27100	26615	21738	34325	35477	88938	24677	39753	41238	64970	55330	43718	0	55973	0	41555	69550	42865	52352	36295	49365	40764	23306	23416	69503	42009	40691	161123	83600	73211	158315	49773	58049	0	62404	57551	19854	16588	14656	68583	39017	65856	29887	78719	18821	0	67804	34152	Peptide	0.2857143	1.2142857	0.21428572
6	C12 H21 O7 N1	292.13907	292.13956	0.054892614	292.1391	17659	17853	18101	19658	22508	20476	19415	23962	26062	7619	12332	15843	44972	14610	23129	25005	34038	50220	41976	11525	11384	12913	19746	23216	12045	0	15001	21952	30071	27161	18078	21660	27684	18245	8092	26640	32276	15268	31269	3105	4657	29685	1621	0	270	9965	11287	0	21823	26910	19184	18862	23542	588	50615	34642	17507	23007	10437	10696	26458	2366	36267	27204	15741	30778	24587	24995	2673	0	3613	17663	22386	38935	12881	16822	0	16104	11650	4956	9584	6047	12001	4570	41584	30126	19756	19811	23664	19593	9089	12105	27783	5040	5645	615	18448	25953	18919	29103	49418	40910	13902	15823	11118	16820	37767	0	11413	42708	Lipid	0.5833333	1.75	0.083333336
12	C12 H21 O7 N1	292.13907	292.13947	0.05417725	292.1391	15340	19699	17530	15393	48848	39798	20628	46682	61371	8098	12068	18087	79457	28745	25592	14932	32274	86674	73107	17099	16596	9132	25683	12994	24540	3413	7091	16745	51068	33920	32432	19566	49504	23404	15662	31572	26251	22259	27256	2661	6415	30605	3056	684	872	8781	0	675	17331	32172	14352	10738	50021	855	91218	52296	24641	31866	12599	0	0	3596	50654	50543	29093	62561	38638	28414	0	5011	5113	37349	35250	48003	14601	26921	0	28701	12432	18858	9484	6217	20868	12404	61158	35755	23353	19578	35712	13471	11055	13750	19821	7085	1680	1087	17965	26671	40949	53606	69502	29645	18514	8284	0	29739	67072	680	14410	74518	Lipid	0.5833333	1.75	0.083333336
10	C12 H21 O7 N1	292.13907	292.1395	0.042706747	292.1391	26946	24949	25107	27842	42612	45912	24768	32730	56695	11620	13502	17807	89239	41612	32441	32124	23217	89922	81788	25907	22819	13921	29060	20065	18013	5574	13358	13679	43482	35084	27030	27544	41588	32536	15326	39935	42780	22869	28225	6211	7026	38225	5853	913	537	13294	9693	524	30668	29054	27643	26174	45138	1085	101058	60148	24382	33541	15802	13790	39668	6500	50909	56514	45361	69003	33730	25620	0	7259	7209	28206	29490	43793	20293	24693	0	24861	16043	10224	14024	7519	33037	20453	67857	42471	25476	28454	38735	15537	12655	19486	22911	8298	10740	1282	23748	38766	35639	53898	74869	55964	19450	26689	0	20438	58807	0	13233	69759	Lipid	0.5833333	1.75	0.083333336
2	C12 H21 O7 N1	292.13907	292.13965	0.16240154	292.13913	12454	10811	9291	10116	13142	0	5491	11151	11996	3314	3950	6523	22856	9473	8582	3606	7968	22313	14394	4590	3742	8151	10905	12689	6004	0	2437	0	13912	9472	14745	13266	17119	17128	7906	14154	17083	5820	9589	3553	3410	8590	404	0	0	3263	1972	0	13958	6316	10385	8628	13789	0	15925	8309	4990	13039	4705	2574	6204	933	18704	12728	5062	21353	12429	10197	0	1247	0	18608	18252	15257	2198	11096	0	7468	5090	6078	3701	2215	1756	0	9792	7400	4109	17158	13666	12598	9225	10202	19900	2774	1175	0	10741	9765	9172	11116	10927	10111	7448	5574	1825	17719	10365	0	6169	31161	Lipid	0.5833333	1.75	0.083333336
0	C12 H21 O7 N1	292.13907	292.13965	-0.007699677	292.13907	7816	8252	7677	7163	8989	15097	0	11431	7021	2305	0	4671	20156	7489	3062	0	3229	22277	11906	3749	5376	8477	4302	7775	0	0	0	0	16473	6213	15200	15654	29864	26510	5826	18095	25383	2917	4394	1517	0	15513	0	0	0	3925	0	0	17835	6921	7095	5569	9436	0	7901	3592	0	15710	2435	0	5003	0	18925	8462	2373	21445	19466	4675	0	2285	0	25138	24158	15627	0	13528	0	7591	0	0	0	920	0	0	3026	0	1482	14498	12122	0	11576	7356	9519	0	0	0	7179	7570	2886	2713	2883	13735	5061	3186	0	14517	2903	0	0	48740	Lipid	0.5833333	1.75	0.083333336
14	C12 H21 O7 N1	292.13907	292.13947	0.0921112	292.1391	17153	17003	16249	16986	42999	42351	17135	13773	67271	7861	0	6820	91566	33243	19467	12126	17877	84207	75904	10684	10194	0	15641	10761	18237	1436	7997	14185	35768	17712	10926	14430	83997	13711	13708	22919	71062	16498	13453	1605	0	29873	0	836	855	5225	0	846	13796	11431	14570	11225	47579	964	100708	47989	14444	14131	0	0	0	3502	52870	43894	22676	49516	33735	8342	0	0	1841	10684	12784	22449	15854	11944	577	12015	15045	0	8016	3909	5634	1532	51931	32573	23491	25438	26231	0	12419	12702	17450	4215	4036	728	15683	21059	35295	48798	55462	62570	9356	9205	0	21882	54288	781	3501	62730	Lipid	0.5833333	1.75	0.083333336
8	C12 H21 O7 N1	292.13907	292.13956	0.046513338	292.1391	28406	27282	24344	27439	35300	29666	20111	34961	43952	10641	12040	21790	78028	26277	30805	42072	93262	68477	76675	22080	20229	14975	34671	85344	15193	27089	19325	11573	42258	37821	27090	26189	34529	30599	14512	77857	32364	20369	30273	47371	6753	41513	2117	0	386	49978	15213	0	31745	35293	26281	23938	31495	696	82713	51411	22280	33450	18435	12626	34747	6701	49971	51718	34166	44918	31295	27773	4766	5710	6772	23457	29056	38669	27052	27318	0	23582	23177	36351	13713	8738	24421	12510	53949	33853	25559	26379	32245	20954	176412	160203	34724	7650	10497	1072	24655	33236	36263	68400	62714	46558	20571	20478	15211	23346	56135	0	14155	63662	Lipid	0.5833333	1.75	0.083333336
4	C14 H22 O4 N1 Na1	292.15192	292.15262	0.36933386	292.15204	2278326	2475225	2170266	2114283	448619	1461916	1737470	4497249	205649	910072	469651	2046057	194247	100205	1621558	3407056	6242195	1550831	1404011	944436	970296	861239	1759162	2348926	2089547	437409	1644781	365747	6800806	3380552	3282586	6184815	3734647	5912316	1348657	4778693	3739004	1550650	6627866	556168	513758	3772922	6454	2825	1459	657292	383403	1940	9865336	5079592	2321244	2142867	2922493	4539	340208	71309	1134079	2725028	82158	166942	3091803	301237	325979	367228	533148	2583375	2105489	9227798	435814	866010	1150296	2607106	3390900	1810024	8597430	2490292	950	1875089	2606316	436313	2080104	332364	183624	357556	202863	1042566	2278853	3896327	3482690	1028615	580136	396903	1447784	389169	605831	24362	2103071	2697938	222291	72039	155228	3838275	1628852	559860	292337	1612999	120647	2311	2334498	385157	Lipid	0.2857143	1.5714285	0.071428575
10	C16 H21 O4 N1	292.15433	292.15475	0.07345107	292.15436	211797	199592	193269	186921	104693	95961	151518	206900	81193	332288	159986	112864	90458	65186	136916	271654	151657	142785	180990	418619	449328	244367	127147	214315	138892	358787	187532	156156	244100	195826	152921	245721	338262	229771	389534	211411	308184	139314	204406	328143	346946	132354	4071	1704	2004	179747	196467	1835	287605	158838	206659	212218	121646	1994	114847	48680	56679	274224	81614	142662	256775	148689	74974	96392	61259	123439	149304	213086	283876	479711	485188	196182	186667	163307	203877	200964	1433	119419	125706	119142	107568	103235	118235	170915	69545	72501	146080	117028	144814	222302	215283	177927	292044	159948	302522	2457	203630	203273	58424	47093	49396	269698	118838	236758	81812	208305	62388	1497	138830	115748	Phytochemical	0.25	1.3125	0.0625
14	C16 H21 O4 N1	292.15433	292.15475	0.10521394	292.15436	236813	231753	208497	224065	105732	88850	153067	160725	78189	480616	278811	120708	104667	61446	112598	205787	220543	122788	140932	528092	568193	348289	94528	187526	109145	468461	145744	230250	141031	153694	157794	181547	199697	168727	494714	158256	200281	109292	217786	479943	520750	98465	4157	1670	1638	180811	259610	1841	216577	146831	220371	203866	102535	1820	98884	48154	68722	218854	123860	234267	164554	241365	86206	81223	52060	112218	99380	241722	362557	554383	698737	141458	149403	131845	177216	164533	1514	112733	127025	209688	110006	146104	184709	319165	75236	60685	151989	131893	118316	331473	293447	291473	286327	253511	402510	3204	226171	198304	69931	60807	77540	182779	117910	237217	126783	180390	73160	1709	141122	97050	Phytochemical	0.25	1.3125	0.0625
12	C16 H21 O4 N1	292.15433	292.15475	0.08565539	292.15436	169058	196729	190260	185687	76696	66237	124429	162782	69246	271335	168529	88149	63908	45730	95450	231988	180538	105120	142232	375008	394410	293229	100716	200771	95632	371909	114844	138129	146169	146949	134106	166980	188387	153544	309568	146666	184176	105237	225619	307751	391145	95938	2856	1699	1514	177543	236802	1841	215132	160276	183167	182582	95004	1725	93562	42990	55485	205531	77275	149140	181416	165401	82784	69083	45720	96181	90835	220873	258769	439006	527470	133587	138228	137602	187055	136000	1490	90123	114966	135702	96244	109780	120567	188334	62902	47992	131869	95112	96166	273939	212028	233801	246766	158184	293417	2054	191360	190157	60582	38527	46088	184575	89398	181734	79107	148102	58138	1869	118110	99019	Phytochemical	0.25	1.3125	0.0625
2	C16 H21 O4 N1	292.15433	292.1549	0.10078881	292.15436	257159	266751	241796	242524	69178	97061	176131	387821	60929	306264	163995	187991	68423	46571	236916	376946	325460	119071	160548	366538	753900	288146	170000	298115	192176	202827	203714	120702	346239	321820	308103	363353	358351	317041	367034	359841	347387	191158	369008	566120	271585	134842	1922	1180	1837	154465	360562	1174	405647	315558	238512	249617	98041	1532	101244	31261	60334	322225	58545	109549	322645	141080	70691	85492	53200	95982	143583	410617	188669	282282	298754	344164	343306	354971	378700	313724	1078	196741	308147	129979	212869	77152	110558	148404	42586	64186	281686	123796	147853	341844	216120	211567	400173	176690	312587	3781	251345	276093	45744	29434	34319	349967	185879	736304	93800	272408	38114	1252	203027	83824	Phytochemical	0.25	1.3125	0.0625
16	C16 H21 O4 N1	292.15433	292.15472	0.110940665	292.15436	218458	228654	221164	218846	129756	108628	153766	181393	102827	428632	255215	116788	125449	85819	153070	238584	217882	178535	195649	541110	541952	340784	142341	230604	131783	453134	132987	240531	189869	164487	178886	226857	267152	190167	469287	186963	239987	124023	242360	421181	522512	133243	4350	2541	2193	180642	237070	2506	229618	172184	230468	235818	138120	2276	105031	85999	86362	248784	146515	202992	215792	258996	125819	96449	68970	153721	146029	208900	377756	562759	623935	172550	164525	153882	179994	169566	1488	107790	167627	242435	105254	156161	179070	296636	82727	85670	191897	148772	145650	314583	266270	305934	263857	276710	398893	2748	219318	209943	87180	130766	163424	249993	99218	213599	103296	208499	98179	1996	153428	131085	Phytochemical	0.25	1.3125	0.0625
22	C16 H21 O4 N1	292.15433	292.1547	0.1253994	292.15436	23528	24164	23710	24296	52681	24315	15967	25103	28865	35160	40179	17228	26022	21953	18533	33743	22828	32522	31887	45307	52022	35277	17706	27877	23943	13421	13116	38092	36055	21525	26221	31916	34466	34207	31545	29198	36646	13620	28791	29332	45200	24754	4391	0	3397	23308	29919	0	31358	24117	25597	23889	27655	3172	25692	20430	17937	34816	18478	24232	30852	27176	25049	24136	15724	33079	29503	26022	16659	19736	27822	25183	22162	26501	19014	29695	2657	15138	21193	39389	16869	19585	20961	18590	28233	20614	19290	22636	22860	26635	50198	42848	35662	31245	40516	3071	28586	23641	35519	33776	32262	37549	19012	31018	17673	30911	36666	0	19598	24697	Phytochemical	0.25	1.3125	0.0625
18	C16 H21 O4 N1	292.15433	292.15472	0.13349256	292.1544	163384	153490	145174	145425	106724	83690	96813	138187	59938	213989	172061	95572	77979	57271	107927	214839	188457	108460	139600	284039	290454	238354	104049	217590	104784	214779	90144	158747	133768	125745	109560	148936	184190	146810	205241	127517	182720	83103	198877	258347	322304	96615	5510	1590	2327	128347	158615	2249	182144	132003	152689	152013	92078	2584	83252	70903	65396	215943	107164	170387	188341	159339	81855	63408	56243	118675	94031	217697	192929	266752	319421	116541	104706	102682	151300	123659	1624	92786	151284	210052	108600	136286	109308	158694	59378	63490	157145	139515	106671	259106	247247	231524	269332	177093	264588	2578	176150	156757	62948	63990	71620	176193	81088	172817	82574	156226	58648	1616	161231	94456	Phytochemical	0.25	1.3125	0.0625
20	C16 H21 O4 N1	292.15433	292.1547	0.1228574	292.15436	68732	72410	68756	66089	76357	57478	41953	62080	45521	94853	65971	40889	67021	48041	47969	87001	74525	76942	74606	109385	114278	92811	49605	81194	45245	79925	51389	72199	69845	54536	54638	68818	84331	64145	92744	68498	89816	35562	77258	97724	129805	54179	4931	2594	2708	58622	69144	3243	74869	50870	68809	64708	67674	3453	47088	46181	38509	72500	44372	63671	78962	68359	43156	44265	30529	68698	64825	73126	71037	88431	130726	60012	49934	55198	66371	58533	2403	41305	53680	88045	40694	39903	52688	67193	48272	38444	54327	70424	54623	91372	110445	105970	106586	84956	88885	2586	71039	68468	45392	56973	63251	93511	43281	73540	47789	75565	51100	3567	57364	61483	Phytochemical	0.25	1.3125	0.0625
20	C13 H25 O4 N1 S1	292.1577	292.1581	0.2939127	292.1578	0	0	0	0	1854	0	0	0	0	0	0	0	3043	1600	0	0	0	3122	2632	0	0	0	2294	2330	0	0	0	0	0	0	0	0	0	1212	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2075	1660	0	0	0	1196	4917	0	0	0	0	0	0	0	4622	5859	0	0	0	0	0	3466	0	0	0	0	0	1630	0	0	0	0	0	0	1121	29049	1668	2270	46248	11514	0	4560	0	0	0	0	1561	0	0	0	0	0	0	0	4106	0	0	0	0	Organosulfur	0.30769232	1.9230769	0.07692308
8	C13 H25 O4 N1 S1	292.1577	292.1578	-0.12709917	292.15765	241812	264733	221249	255190	129355	111415	133439	223095	116751	532602	224687	115260	128639	77133	132944	257754	184390	160996	239629	653171	623725	340719	129337	229020	119628	416275	145796	208674	219505	182133	192603	254004	288035	219685	684532	216761	298965	108960	254526	434308	416327	122793	3238	1155	1258	230226	230490	1332	267269	186887	232075	239789	125490	1705	178185	56510	68281	218905	44932	130720	222905	210373	132539	124765	52557	144854	135791	249809	334330	643197	628300	199834	204462	167666	174902	208406	1020	121733	145122	156608	106641	98964	91667	263853	75953	55514	137284	128927	130345	310707	257849	252753	344091	200562	349839	1685	241638	248123	76431	66047	63573	273201	114885	251954	80971	208376	85125	1098	120371	163607	Organosulfur	0.30769232	1.9230769	0.07692308
12	C15 H21 O3 N3	292.16556	292.16595	-0.015859159	292.16556	5910	7732	7952	8993	1624	1738	8338	12288	0	5028	3944	6066	1126	1241	5475	8570	13181	2361	5330	9119	8237	9759	5239	9137	5489	4859	4056	0	9334	8846	7491	4580	10069	8549	4653	7396	7817	6530	17479	6364	8454	2267	0	0	0	5915	8930	0	8457	5501	8349	8350	2220	0	1169	0	2200	8976	0	10646	0	5051	2740	0	1809	1637	3105	17012	0	2808	4330	5713	7973	5892	10704	9244	0	7385	7860	0	6343	6767	7190	5562	1407	1713	8989	4367	3612	21792	8518	7322	16371	6583	10624	0	8624	5083	0	0	904	7288	5544	9101	0	11030	1668	0	9507	2148	Peptide	0.2	1.4	0.2
10	C15 H21 O3 N3	292.16556	292.166	0.048022155	292.1656	11750	14196	10205	13282	3672	3742	9132	14533	1925	9959	7401	9149	2603	0	8062	20177	13394	3302	4143	18419	15261	16715	8858	19828	9136	8009	10401	5134	11824	14349	13514	14395	18207	13365	13128	10415	18638	7828	21324	15883	22632	5179	0	0	0	14489	12602	0	18091	11862	12462	11773	4156	0	2316	1537	3770	16496	8506	15310	14736	6869	1575	2962	3514	2461	4938	21216	0	11682	14388	14294	12849	11374	12541	14246	0	8750	10379	10680	11366	9757	13063	11671	1870	4011	11536	6934	7237	28671	12752	14111	24909	14048	19492	0	13853	14746	1959	1162	1253	11917	7734	20468	0	15970	2923	0	14036	1466	Peptide	0.2	1.4	0.2
8	C15 H21 O3 N3	292.16556	292.16602	0.015295964	292.16556	17123	20216	15773	17537	4171	4471	14578	20577	2618	23240	14544	11683	2812	3646	12335	23240	25503	4875	8429	33166	32122	26349	12693	29560	15478	12600	16400	11506	19774	18666	16868	23465	21921	21301	29300	17970	18538	13042	28474	30902	35233	8316	0	0	0	25090	26986	0	24471	18239	17762	17734	5536	0	4261	1437	4875	26876	6477	16401	23466	11438	2501	2315	3655	6324	7302	28208	11857	19307	20745	23141	18638	18742	18469	17935	0	11361	16962	17193	16519	12042	10492	19911	3816	3742	15704	10640	9892	41136	19592	18445	42925	18217	29941	0	19330	17689	3052	1209	0	19191	12675	21525	7127	23795	2267	0	20592	3340	Peptide	0.2	1.4	0.2
8	C13 H25 O6 N1	292.17548	292.17587	0.047378287	292.17548	3087	3149	3138	3658	3175	2817	9644	3586	1277	0	0	2564	3882	15144	4268	6244	4355	4410	3925	1654	0	2898	2901	5223	3281	6938	6681	2502	5070	4848	3155	5479	3613	1729	0	6877	5053	2749	4706	0	2148	3056	3092	0	0	0	0	0	4237	3616	4201	3699	2709	264	3709	3708	2008	5498	1683	3322	0	0	5545	1859	17825	3987	5209	1731	0	1339	0	2952	3500	4126	2227	3000	0	4718	2071	0	848	3221	30560	25267	2660	0	3655	1974	3085	2284	0	0	5171	0	0	498	3493	4460	1884	3732	4324	4180	2032	2467	0	2508	3648	0	2093	5606	Lipid	0.46153846	1.9230769	0.07692308
2	C13 H25 O6 N1	292.17548	292.17596	0.020936351	292.17548	6388	4879	3566	6047	6891	0	2048	6024	5669	1750	1782	2380	7676	11099	5028	5104	1948	6620	7029	1768	1244	3805	4303	6303	3625	0	2179	4496	6566	4852	6115	5162	6901	4594	3459	4361	6717	3110	1289	1459	0	0	0	0	0	2434	1705	0	5857	4000	4141	7038	6398	0	7311	2990	3063	7484	1529	553	6029	0	5092	3855	38498	7804	6484	2501	0	826	0	5740	4625	4545	1729	4354	0	2966	2830	6804	1482	2099	929	0	3149	3135	2608	3024	4727	4765	22542	19880	10138	4072	2388	0	5543	4731	3600	2442	3694	4325	2584	2804	1537	5859	3537	0	1663	28743	Lipid	0.46153846	1.9230769	0.07692308
16	C17 H25 O3 N1	292.19073	292.1911	0.07681764	292.19073	22334	19915	18979	15845	17960	10019	16641	20146	4207	23537	19274	11445	4590	13620	7171	30948	28272	10538	10195	32831	35814	28947	9386	20798	12301	36291	14545	15162	15519	13110	12522	18863	18109	14869	18172	18830	20113	9295	30063	25298	45997	9845	324	0	0	14593	25592	0	20617	13753	20436	17863	17008	274	5523	7958	6499	28130	6147	22184	21240	11144	5529	3344	5595	13749	9836	26598	30086	35789	55420	12609	14271	11910	27888	17779	0	8751	14824	28486	9078	11490	10586	22379	12052	7863	24882	15380	10958	72841	30538	20365	49768	24259	24185	0	19475	16201	7954	13029	11589	22608	11345	13812	4169	17451	10739	0	20947	3002	Lipid	0.1764706	1.4705882	0.05882353
20	C17 H25 O3 N1	292.19073	292.19107	0.11252474	292.19077	33120	41235	40131	35030	28706	20702	25425	34582	13385	43189	40118	24350	19797	17453	25285	61931	51282	20168	26846	65228	57281	42048	16021	45048	21456	79788	30438	36307	32090	33598	30312	36182	39442	35329	38346	39141	35469	20086	52834	44144	77712	17678	1108	0	408	33541	55324	0	38847	33938	40095	41899	22608	858	11045	12765	13596	44406	14864	49484	49777	29503	7952	10115	12623	21429	19138	59864	67140	55889	88052	30707	31414	32116	49474	29894	0	15712	22807	49381	15869	26941	24999	40655	16120	14989	36051	29605	16758	114563	58553	61299	56813	41781	46380	608	35961	38446	17115	15724	25948	41292	19640	42474	27934	38800	17105	0	32185	16295	Lipid	0.1764706	1.4705882	0.05882353
8	C17 H25 O3 N1	292.19073	292.1912	0.0949489	292.19073	71130	71288	62553	64625	24161	30685	60457	92327	17549	107110	63699	54165	16750	17057	42778	97637	57896	20369	38288	127622	125513	68272	41499	88557	41388	60504	79481	54904	74695	82732	81930	94311	92588	75672	143760	78527	93389	43241	73215	86190	43281	27041	750	0	0	53536	50533	0	126437	80776	63484	68250	23447	0	17623	8978	13599	91225	0	11989	94663	31575	22541	15516	15395	28697	31591	87602	50868	100149	85751	79008	73870	73729	73644	77019	0	49900	41938	62574	38429	6577	5150	65292	9370	10295	43664	28724	32484	128280	113416	18775	141130	66669	120366	0	62365	63390	13657	7202	11398	77922	50465	65148	16392	71500	9960	0	44165	13755	Lipid	0.1764706	1.4705882	0.05882353
6	C17 H25 O3 N1	292.19073	292.1912	0.056488544	292.19073	113942	125566	105727	118533	29519	38293	105318	191913	18178	182716	76313	82995	21645	41870	90296	214571	107997	39029	57690	197088	187660	113513	75416	204482	91361	93517	122952	86993	150380	145545	197930	193042	204285	153991	211915	152300	186463	89325	136384	115093	48338	36164	0	0	0	84755	70189	0	230501	152869	121194	124241	42624	0	23819	10745	20852	215561	1217	4811	207097	59421	16138	16165	16598	34745	56209	176185	69582	150846	137350	162793	147853	168536	130220	135369	0	92772	68077	67427	61772	9686	10768	110438	14127	19691	90653	45763	62140	273304	154332	35474	268203	76015	165574	395	116045	95938	15010	11124	15334	175458	77333	111609	25564	157939	20597	0	77013	20150	Lipid	0.1764706	1.4705882	0.05882353
10	C17 H25 O3 N1	292.19073	292.19116	0.09970037	292.19073	34144	30414	30530	28627	12890	10363	27817	37697	7757	58217	30761	20757	10496	9721	19378	54659	24137	12984	21398	57072	67587	31498	19718	51956	21948	42995	35472	27874	33457	31142	31219	31072	41660	31539	59570	26369	35788	17225	28819	38206	26252	11949	0	0	0	19243	21478	0	40776	28368	31076	28846	11959	0	8379	3861	5929	47912	0	6681	46845	13267	8013	6805	4984	14473	14278	40486	28170	50761	60138	37226	28107	26528	26501	27917	0	17412	18091	20297	21552	2044	1653	24501	8066	5146	22933	14312	14687	59535	46092	11688	52407	26089	48733	0	30099	31729	6437	7253	8123	39240	19472	23055	0	41451	6899	0	23807	10120	Lipid	0.1764706	1.4705882	0.05882353
14	C17 H25 O3 N1	292.19073	292.19113	0.14895289	292.19077	22252	22108	13965	18858	7103	7025	17798	16284	3622	19220	18836	12035	4400	5059	8453	34183	18252	7223	12946	29624	30697	23622	10282	24000	14565	34075	14353	15186	16017	17420	15965	23214	17342	20553	24644	16426	21624	11885	21895	22719	34105	9352	0	0	0	13699	15399	0	24880	19928	19430	21878	6994	0	5594	3592	5943	27891	0	10812	0	7294	3916	2485	3743	7422	7843	29786	15803	40638	57707	19021	14497	15103	20073	17374	0	10527	16210	17117	10343	4767	8025	18902	6222	4669	21334	10757	8170	111178	38019	10782	67239	13811	25630	0	21563	15829	2760	9418	6599	18505	8176	12607	0	26807	4838	0	19178	8359	Lipid	0.1764706	1.4705882	0.05882353
22	C17 H25 O3 N1	292.19073	292.1911	0.14066446	292.19077	46335	46214	34352	42798	45038	30437	28021	34322	25811	87138	71222	20490	15489	22604	19070	42301	51973	30255	28172	107432	111955	58443	18823	34808	23321	51647	25513	72928	61203	35153	27062	48036	57748	58303	75402	49619	82537	20921	51090	59623	76588	28021	0	0	350	40657	68177	0	46069	29974	40956	42685	35064	1277	19794	11919	17352	43421	27090	42587	43367	40896	19007	17367	15105	34087	44374	57072	40666	39390	48475	31164	35647	30702	31908	38233	305	20143	22029	61615	16884	37758	38138	44383	23567	18336	32848	39553	28714	103693	72017	75693	65617	57807	73576	0	38450	41652	27307	15296	15961	52009	20805	54652	35863	34755	30939	0	30517	20668	Lipid	0.1764706	1.4705882	0.05882353
12	C17 H25 O3 N1	292.19073	292.19116	0.12280763	292.19077	18577	25278	21500	21809	8701	6626	17313	23392	2099	34385	21900	12367	3469	3603	13359	41447	20215	6559	9829	36944	40954	40753	12263	31493	11202	29431	24967	14664	21465	18002	26654	21393	22469	20631	35554	18484	25819	11544	27786	24225	22096	10020	0	0	0	17081	19217	0	30501	23131	21386	26770	10190	263	6923	1740	3969	42479	0	0	40540	8573	6769	4652	3493	10017	8661	26710	19065	40913	45522	22920	13880	17612	19772	17988	0	13505	15022	0	14018	3625	2794	22457	4344	4344	19287	11851	10072	127604	42592	9761	126946	19643	30258	0	23518	26208	2957	3727	2346	19362	12180	11779	0	38770	3682	0	18161	9256	Lipid	0.1764706	1.4705882	0.05882353
24	C17 H25 O3 N1	292.19073	292.19107	0.15381257	292.19077	21907	15198	15170	20309	27389	11976	17397	21255	13004	37625	34771	31421	9080	12510	11871	28261	28654	11327	16672	52535	49121	28075	7459	15015	12353	10670	13711	41596	17854	22657	17714	24650	20795	16329	31195	22020	20626	14000	25515	22924	28580	12401	0	0	0	16381	22378	0	15509	21528	15610	18564	13604	0	15279	7376	9088	25864	13372	17481	24300	19873	8296	10180	6113	18250	15815	23906	13536	11090	20871	19971	21598	28101	24214	22305	0	27015	6186	24735	5230	17544	11868	28984	13870	9789	13124	20611	12789	26179	34777	31729	28000	23610	29278	0	20826	19439	22486	8619	7811	32030	24787	22963	15626	30180	13549	0	13135	7833	Lipid	0.1764706	1.4705882	0.05882353
18	C17 H25 O3 N1	292.19073	292.1911	0.09530835	292.19073	24274	28788	29650	25163	21340	11064	27727	24719	5491	36062	36391	19571	7050	18792	11858	38944	43864	7789	18958	46537	44846	34477	8480	28579	18743	63385	27605	22026	19092	25891	18868	19970	21577	26334	27037	21573	27653	15113	43283	40993	63969	17126	810	0	0	22696	38856	0	24843	28547	27116	26516	19824	452	4471	4882	9294	34780	9837	36812	29477	27302	7103	4963	8414	16300	20484	52237	47249	49481	77850	21359	15461	17810	36791	24372	0	16940	21493	43444	18737	22360	18192	32263	4428	9574	30913	15455	12430	120789	46065	34218	38849	28661	46047	0	22428	24079	9862	8458	15131	25042	13948	27737	15320	30633	11442	0	21489	10909	Lipid	0.1764706	1.4705882	0.05882353
2	C14 H29 O5 N1	292.21185	292.2124	0.076655306	292.21188	762	0	0	0	2151	0	0	0	0	0	0	0	0	1148	322	632	1523	0	0	0	0	0	0	935	0	0	0	0	1079	0	0	0	0	574	0	0	0	0	942	0	0	27132	0	0	0	0	0	0	784	0	0	739	11924	0	0	0	16400	0	0	0	526	0	0	328	0	5709	36945	915	0	0	0	0	0	0	486	0	0	0	0	0	0	0	0	1668	0	918	777	0	989	0	0	0	0	0	2013	0	0	1057	689	0	0	0	311	452	0	0	1032	0	0	0	Lipid	0.35714287	2.0714285	0.071428575
22	C14 H29 O5 N1	292.21185	292.21194	0.17792696	292.2119	0	0	0	0	0	0	1646	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2026	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20023	0	0	0	0	0	0	0	0	0	0	7231	9401	0	1453	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.35714287	2.0714285	0.071428575
4	C14 H29 O5 N1	292.21185	292.21234	0.02930547	292.21185	1784	1091	1503	1777	6610	9258	1184	807	601	0	0	560	866	2591	1788	1716	0	528	1087	0	0	0	1453	1564	2444	0	718	0	1069	978	1494	1675	0	1034	0	1597	773	946	1131	0	0	34541	0	0	0	0	0	0	2476	756	1741	1235	27318	0	564	242	25437	1944	0	0	2280	0	270	253	0	29508	40159	1695	0	0	0	817	1707	1344	2249	987	0	406	856	0	1178	0	529	438	384	485	1007	1531	1205	866	1412	0	2245	0	0	0	2375	1760	1069	0	371	0	714	0	8015	2020	897	0	842	410	Lipid	0.35714287	2.0714285	0.071428575
12	C18 H29 O2 N1	292.2271	292.22754	0.10341099	292.22714	59594	70817	59019	64219	27117	7659	1345376	356587	1407	14353	20447	155918	0	14383	102885	500274	6349	3098	7598	17055	15819	4192	5055	9168	7176	20498	3208476	27442	14316	10708	21761	12669	27165	13813	16266	12013	15344	125034	3015	9655	0	11029	0	0	0	1985	3134	0	19283	348596	52739	66716	12780	0	1919	0	12646	103388	0	0	496932	0	1359	1270	4507	3798	17938	12764	0	12253	9782	257028	11777	11703	8012	12557	0	195531	3001	0	3311	0	0	8481	0	1034	3793	8409	10110	28686	27981	0	22846	4996	19980	0	55956	61645	2222	0	0	14566	159669	3753	0	18220	2017	0	5346	1198	Lipid	0.11111111	1.6111112	0.055555556
10	C18 H29 O2 N1	292.2271	292.22754	0.11629715	292.22714	26859	24335	31544	21622	5347	9092	26750	61480	2415	14516	12082	23284	0	6479	24834	104582	17641	2979	5517	21382	19675	14189	28286	45615	156736	9846	48826	9633	29817	23655	27670	34296	33899	26845	19011	26058	30373	22995	14526	15270	0	11957	0	0	0	9636	9093	0	35115	36802	23567	30358	9211	0	0	0	5065	102111	0	0	99402	3105	0	1234	4481	3013	13449	32564	0	16723	10630	43513	23938	20082	24933	22802	0	22856	90640	42924	42384	0	0	13256	0	2380	38090	10175	11662	287725	31907	0	268560	18262	24483	0	31557	27775	0	0	0	29108	17527	10008	0	102804	1392	0	165191	0	Lipid	0.11111111	1.6111112	0.055555556
14	C18 H29 O2 N1	292.2271	292.2275	0.106393665	292.22714	10601	12493	13553	14174	3141	7512	9092	43851	1145	4228	1961	12383	0	1839	22629	81933	6016	0	2914	5792	7107	0	4662	20045	259262	5982	14475	0	16627	10608	11709	10823	12714	6765	11536	10674	10361	6756	1245	14526	0	3708	0	0	0	5046	7454	0	13076	125684	12525	10779	1841	1227	0	0	2502	22896	0	0	0	3418	0	0	2472	1435	3545	17698	0	4146	6287	9136	7969	10436	10028	9228	0	8090	8008	0	4887	0	0	12051	0	14960	7712	6171	3530	611849	125937	0	79907	18814	36255	0	13537	12631	2486	0	1346	8864	7479	11253	0	27973	1725	0	9972	0	Lipid	0.11111111	1.6111112	0.055555556
16	C18 H29 O2 N1	292.2271	292.22748	0.11766566	292.22714	73462	79838	76745	73024	4495	43839	140647	135283	1560	26771	30551	133565	0	1369	86371	409236	96379	9644	23815	26137	21175	3057	89585	204489	194467	2600	189254	29252	126715	129548	190938	114662	89016	94178	28709	104620	86513	88881	33819	9251	3502	145049	439	0	0	32440	42275	0	233873	44806	62643	82121	79252	2746	0	0	54701	255928	0	7359	410928	0	0	1672	47233	28570	123408	273551	2542	9885	8449	111855	80071	50610	161952	125873	0	137221	180467	99142	186100	0	0	11445	1676	21917	200746	67007	80945	220674	114740	0	203616	22688	41577	756	73288	79149	3294	0	0	86388	117732	12536	22622	200706	0	0	266978	3890	Lipid	0.11111111	1.6111112	0.055555556
18	C18 H29 O2 N1	292.2271	292.22745	0.16525166	292.22714	2877	6022	3705	2486	0	7044	0	1830	1003	5522	1813	4449	1622	2162	1874	8247	2899	0	0	0	2309	0	0	3158	0	2280	2116	2187	3352	5792	3999	5484	9346	12449	3554	2390	2838	2108	4254	2442	5662	6189	0	0	0	3560	10216	0	16963	17694	2885	3678	1599	5485	0	0	0	4097	0	26317	4430	0	3925	0	0	8472	0	8485	1541	0	0	28063	3762	1810	2894	6514	0	2983	0	0	1333	0	0	2582	0	0	1373	23912	0	11398	16509	0	5543	0	20124	494	2781	4430	0	0	0	2507	2504	0	0	2408	0	0	0	13810	Lipid	0.11111111	1.6111112	0.055555556
28	C18 H29 O2 N1	292.2271	292.22742	0.14897418	292.22714	2706	0	1686	1936	0	6223	0	0	0	4361	943	0	0	2065	0	3199	0	0	0	0	0	0	0	0	0	0	0	0	0	6732	1522	4201	7979	1758	0	3643	1366	0	0	1164	2485	7946	0	0	0	2119	2066	0	11088	34672	1118	1704	0	0	0	0	0	1946	0	17424	1822	0	1540	0	0	6980	0	1981	0	0	0	0	0	0	0	5928	0	960	0	0	0	0	0	0	0	0	0	6247	0	1483	3634	0	5691	0	8756	0	2037	0	0	0	0	0	0	0	0	0	0	0	0	16290	Lipid	0.11111111	1.6111112	0.055555556
24	C18 H29 O2 N1	292.2271	292.22745	0.13081077	292.22714	38894	35407	33405	35583	16257	154450	1857	39603	6198	97383	7673	9682	19644	41509	8115	125287	51955	33948	13551	18162	25854	5882	5866	19599	3796	15953	2429	3918	18839	205933	28062	106228	98073	27409	18217	90314	29015	8120	21620	37078	61726	143333	15629	5532	0	75568	132328	0	230103	844765	36794	34676	5605	42475	2013	6079	14072	21887	3386	467951	45222	5340	61845	1926	3765	93232	8141	97864	15225	11237	21426	28485	11723	27964	38811	170278	19563	4564	2271	14360	4327	8591	2458	10112	2494	0	7378	118036	10381	60306	51492	8926	144087	4365	184163	3653	39577	40757	10361	1529	3424	15994	8974	12194	11276	9766	3227	0	6284	241777	Lipid	0.11111111	1.6111112	0.055555556
22	C18 H29 O2 N1	292.2271	292.22742	0.09986538	292.22714	63871	65298	55528	68361	34611	214631	2416	45548	4434	201756	2269	3619	48477	66674	3086	156319	56861	56263	25884	31446	64520	10496	0	24873	2229	5737	2516	3994	30566	205532	43920	133556	202887	42061	58692	118428	49753	3086	26674	86719	100130	226057	37199	4864	3114	192859	241419	0	444761	757885	60593	58203	10110	112762	0	1533	10002	45062	0	824959	67553	1161	171104	0	2765	212057	8383	150581	6984	8045	24746	41730	13778	32239	57940	326583	5983	3721	0	6616	1780	3891	1418	2301	0	0	11264	244384	16928	95006	106097	9034	213491	2521	429827	10146	57694	66118	10144	0	0	23687	5361	10102	3856	5142	0	0	3323	518480	Lipid	0.11111111	1.6111112	0.055555556
6	C18 H29 O2 N1	292.2271	292.2276	0.09523689	292.22714	5460	6971	6495	7793	0	891	11972	23236	0	7806	4453	8381	0	0	7864	22931	8089	790	1054	10767	7413	2087	6988	15381	11683	3032	15234	2750	13651	13324	12281	12574	10726	9753	9131	16052	10464	7662	9746	6004	611	2947	0	0	0	3131	2562	0	15557	19634	7325	5991	903	0	0	0	805	15835	0	0	19523	2453	0	0	536	829	2941	12566	1895	3371	0	8373	9620	15857	12501	9236	0	8081	4927	4856	6237	0	0	6079	0	1000	5277	3912	3476	29141	9778	0	28761	5195	13218	0	7891	6945	0	0	0	8859	6869	6031	0	13034	0	0	7134	0	Lipid	0.11111111	1.6111112	0.055555556
26	C18 H29 O2 N1	292.2271	292.22742	0.16332541	292.22714	6597	6594	5112	6788	5195	24961	0	6914	0	16007	0	0	4234	6384	0	16770	6023	5639	5280	11339	0	1632	0	0	0	0	0	2119	0	42299	7252	18453	26671	5103	3811	31102	8276	0	3582	3902	9553	36784	0	0	0	14833	14850	0	56347	158762	7286	6393	0	0	0	0	0	4962	0	62755	11668	0	14848	0	0	21643	0	15153	0	2491	3683	7094	2508	0	0	33887	0	0	0	0	0	2874	0	0	0	0	0	25796	2881	9392	12249	1421	29164	1947	29592	0	6674	9057	2650	0	0	0	0	0	0	1632	0	0	0	46376	Lipid	0.11111111	1.6111112	0.055555556
8	C18 H29 O2 N1	292.2271	292.22757	0.08075432	292.22714	20249	22045	18754	20868	10137	8786	21017	34423	7052	14400	13835	15106	1167	1344	13851	47715	19277	4464	6834	26809	21617	8513	15571	33422	24904	7397	28800	9370	27344	28256	21889	29551	29823	25956	20470	28843	28876	15181	22050	19084	1566	10943	0	0	0	14924	15419	0	30645	27352	17945	19574	11447	0	3559	1003	5962	40859	0	0	37799	7567	0	2132	6759	5676	12444	37254	3167	7596	4781	32460	26354	25170	29464	27702	0	17894	19425	7578	14045	0	0	20993	1466	0	17230	10979	11464	90488	35462	0	93288	9780	20812	0	19091	17422	8151	1558	2590	29031	15436	13463	11153	35481	11407	0	20520	1463	Lipid	0.11111111	1.6111112	0.055555556
12	C19 H33 O1 N1	292.2635	292.26385	0.17372291	292.26355	3536	5905	2686	3658	0	0	7723	3067	0	0	0	1120	0	0	7770	10774	4511	0	0	0	0	0	0	6183	9227	0	27864	0	1967	7773	13702	5756	0	2306	0	13524	2260	13700	2077	0	0	0	0	0	0	0	0	0	2447	8478	4165	3880	0	0	0	0	0	3686	0	0	0	0	0	0	2445	0	0	13690	0	0	0	1497	2027	6463	28194	5813	0	2736	2680	0	3374	0	0	0	0	0	6755	0	0	21937	14636	0	2334	0	0	0	3552	2558	0	0	0	2281	3146	0	0	6364	0	0	2225	0	Lipid	0.05263158	1.7368422	0.05263158
0	C8 H5 O5 N4 S1 Na1	292.99512	292.99615	0.64417547	292.9953	0	0	0	0	0	0	0	0	0	0	0	0	11582	0	0	10312	0	0	1028	2606	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1306	0	0	0	0	0	0	0	0	0	25897	0	0	2066	0	0	0	0	0	0	0	0	3256	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4488	Organosulfur	0.625	0.625	0.5
18	C13 H8 O8	293.0292	293.02957	0.2081628	293.02927	3074	6113	3219	3692	17710	11076	2733	0	14212	0	0	1088	24225	17259	2829	0	1894	17387	16882	0	0	2008	8475	2702	0	0	2194	0	0	0	1271	0	1712	0	0	0	3106	4776	2751	0	0	4857	943	477	957	0	1127	1715	0	0	3945	2189	12192	452	13943	9142	8244	3633	0	0	1993	0	28706	18022	6572	28048	7117	1584	0	0	0	0	2319	0	1521	0	742	2020	9325	0	7052	0	0	0	19718	10393	9275	7377	7746	2061	0	0	0	0	2116	784	3236	0	9729	14793	16768	2778	1608	0	0	2335	8968	1223	1658	22119	Phytochemical	0.61538464	0.61538464	0.0
16	C13 H8 O8	293.0292	293.02957	0.24986613	293.02927	6316	4506	3551	3997	22177	15740	1030	0	15894	0	0	5323	26050	15480	4036	2338	0	25319	21418	0	0	0	7309	0	0	0	1554	0	0	0	0	0	1964	0	0	1801	4249	3339	1857	0	0	6518	948	530	769	0	0	1865	0	0	4673	2765	14047	317	9587	13062	8983	0	0	0	0	0	35523	14036	7857	34198	9607	0	0	0	0	1678	0	0	0	0	738	2818	6453	0	5371	0	0	0	22349	11235	6135	12116	11103	0	0	0	0	0	0	575	3581	2411	10110	19359	25310	0	3275	0	0	0	14332	884	0	29228	Phytochemical	0.61538464	0.61538464	0.0
20	C13 H8 O8	293.0292	293.0295	0.19794556	293.02927	11355	10467	6693	7584	44895	23871	4383	0	33042	0	0	5790	54162	32196	5196	0	0	55884	51912	0	0	4140	19371	0	7824	0	5592	0	0	0	0	0	6849	0	0	0	6702	7566	8943	0	0	9564	2499	1824	3561	0	0	7584	0	0	9759	4770	32973	1152	19413	21411	22791	6714	0	0	0	0	63369	40902	19110	44100	17310	0	0	0	0	0	0	0	0	0	2937	3687	26331	5190	26574	0	0	0	71311	21930	15573	28332	23613	0	0	0	0	0	0	2733	7722	7998	16134	35439	52596	4929	6834	0	0	0	31386	3585	8040	137772	Phytochemical	0.61538464	0.61538464	0.0
12	C13 H8 O8	293.0292	293.0297	0.21622203	293.02927	4194	3993	5162	7284	22687	10919	0	0	19346	0	0	3422	21900	10495	2581	2266	4168	23212	25562	0	0	0	7565	0	0	0	0	0	0	0	1037	0	5032	0	0	1249	4766	1629	1521	0	0	9109	965	0	348	0	0	791	1616	0	4720	5044	13984	279	15599	14770	8477	0	0	0	0	0	48906	21477	11168	31203	9961	0	0	0	0	0	1142	0	3220	0	295	3279	6848	0	3758	0	0	0	22496	7381	6372	11649	13054	0	0	0	2380	0	0	0	4241	3274	14895	24139	18542	4951	5260	0	0	5276	11884	0	0	44708	Phytochemical	0.61538464	0.61538464	0.0
14	C13 H8 O8	293.0292	293.02966	0.22499403	293.02927	4692	7223	7077	8326	29248	15007	0	0	24595	0	0	6203	43990	19583	5163	0	4519	33685	31779	0	0	0	9463	0	1253	0	1620	0	0	0	1308	0	4944	0	0	1883	5100	4773	2621	0	0	11924	0	0	468	0	0	1388	0	0	5267	6271	18839	236	16348	19037	11678	1524	0	0	0	0	48087	26872	14300	43613	13200	3047	0	0	0	1310	0	1426	3968	0	560	4273	7353	0	8349	0	0	0	40519	10748	10204	17627	20739	0	0	0	0	2874	0	415	4842	5478	12466	28164	32007	4521	5365	0	0	3412	21744	0	1068	38478	Phytochemical	0.61538464	0.61538464	0.0
18	C14 H12 O5 S1	293.04782	293.04825	0.2837227	293.0479	3853	8235	5890	3022	11919	7395	1262	0	8444	14561	11589	1204	11185	4700	1344	4348	2217	11656	13368	7458	10154	22109	2256	4132	3390	9967	1725	7998	0	0	0	0	2485	0	17876	0	2979	2130	2760	15525	12898	3227	593	0	346	4203	5190	0	2594	0	6918	5044	6920	301	6957	7408	3683	4667	4567	6342	0	10061	6525	6309	2300	10503	3132	3213	9301	9188	12353	0	0	0	0	0	0	1191	3582	22154	1810	5186	5198	12482	6664	2983	8782	6499	5530	4860	18515	20345	2522	28727	35075	0	7075	4803	7143	7415	5517	2527	1608	3554	3415	4752	4635	0	2786	10246	Organosulfur	0.35714287	0.85714287	0.0
6	C18 H12 O2 S1	293.06308	293.06366	0.43384555	293.0632	0	0	826	0	2356	845	0	0	1772	1995	0	0	1392	1304	0	0	0	1835	1183	0	0	0	0	0	0	0	1227	0	0	0	0	0	0	0	0	0	937	526	0	0	1242	937	0	0	0	0	0	0	0	0	961	762	1193	0	1671	1125	1030	0	0	0	0	0	1461	3048	1185	1046	713	0	0	0	0	0	0	0	27474	0	0	0	0	0	583	0	0	0	0	0	0	1450	1460	0	0	0	0	1282	0	0	732	923	2746	3663	1715	891	0	0	0	713	1969	0	730	2324	Organosulfur	0.11111111	0.6666667	0.0
4	C14 H12 O7	293.06558	293.06616	0.20093474	293.06564	5317	7446	5210	7525	14513	6019	2898	2735	17029	5426	6115	3533	21458	8697	4273	3292	4989	12939	13744	4604	8154	8177	5760	4534	2201	3209	1691	0	2718	3932	2412	3171	6606	2314	9038	3164	5229	4052	5407	5288	6848	7077	1472	1291	2148	5757	4373	2196	2667	3070	6682	5450	9558	1951	14390	19248	8783	4135	3059	3030	4973	2351	27072	16653	7109	16899	6528	5593	7448	3320	7552	2587	2938	2263	2750	3582	1641	3090	6695	0	5103	3273	2757	1729	21366	7554	5513	6872	7184	3716	2540	2168	3641	5335	3191	4235	5813	7305	15542	28617	22961	5406	3833	4064	3895	3836	12279	1550	2467	24206	Phytochemical	0.5	0.85714287	0.0
28	C14 H12 O7	293.06558	293.06595	0.12442081	293.0656	7384	8991	8706	9694	14233	9543	4366	3669	15672	6877	5220	5107	27282	14001	7222	6056	5393	20564	17489	7553	6100	9417	10147	5436	4912	2788	3474	3570	3474	4913	4409	3109	8082	4073	7978	3641	7008	4649	5205	4617	5926	8082	3277	1401	0	5463	4935	5147	5175	2469	7456	8886	11957	0	20793	13251	6512	6170	2893	4631	5020	3783	24919	13459	6351	18720	7466	5286	6054	2617	4787	3233	4777	3770	3957	3956	4056	3858	11507	9538	9417	5331	3463	3262	18339	9713	11527	5729	8538	4685	5033	5167	5439	7394	6979	3726	11822	9547	11061	14516	15726	6125	3871	3502	6942	6511	10590	2365	7044	21568	Phytochemical	0.5	0.85714287	0.0
18	C14 H12 O7	293.06558	293.06598	0.19086201	293.06564	63907	59891	56167	51256	118105	86417	34068	31489	100352	44720	22867	32866	179476	99286	51692	42850	31790	186813	165328	30495	25436	55843	76989	46051	47865	11575	33043	22421	33519	29661	34361	33748	57491	35316	44148	33617	66401	44619	32643	28027	22067	58526	7821	3674	5399	29476	26913	5365	42381	27390	53889	61258	88780	3771	140886	86907	55139	51807	21968	20250	45597	23623	185348	111973	48928	160206	74593	32815	17646	17216	22755	29156	26004	20949	24518	32035	4193	37366	89356	39301	64468	26280	12346	17259	116700	81391	83044	63202	80249	34755	42900	36086	51229	39381	45982	5494	61078	54036	78739	102667	109039	55799	34679	27269	20847	47598	71828	3428	42306	170211	Phytochemical	0.5	0.85714287	0.0
20	C14 H12 O7	293.06558	293.06595	0.17145492	293.06564	26658	31965	24807	21862	74638	40542	15076	9717	62416	16393	11350	13763	91052	48144	24910	15745	13156	78407	77183	12004	12101	24729	27974	18171	17400	5971	14319	10228	13606	9439	12123	11480	25873	9980	15956	7474	23392	19368	9867	9902	14339	22644	4611	4980	4755	12554	17204	7279	15204	9102	24390	25374	46221	3685	60961	48062	31789	17809	6856	7923	17843	9016	101445	57848	27044	77479	28621	9137	8301	6940	9043	9547	8934	6726	12251	9830	4257	13687	41350	28433	34527	11281	4440	0	71821	34871	34345	29493	26138	13712	12234	21037	17669	20177	18231	5732	33427	23289	43806	64956	62213	17487	17253	12438	11347	15993	43543	4353	18807	102249	Phytochemical	0.5	0.85714287	0.0
26	C14 H12 O7	293.06558	293.06586	0.11170173	293.0656	5150	9198	8866	7466	15750	12920	2981	0	17941	4811	0	4574	31913	12569	6919	0	0	25281	21183	0	0	6844	9032	0	0	0	1609	2404	0	0	3571	0	6179	2605	8879	0	4517	4126	2956	2441	3660	0	0	0	0	5068	0	0	2878	0	7105	7422	10940	0	18675	15998	8090	3613	3565	0	4114	0	28573	20267	4731	21538	6347	3453	0	2008	2403	2676	0	0	0	3518	0	3717	9206	7330	11308	2864	0	0	18674	9138	9925	6718	9179	4639	3054	0	0	4608	6606	0	8450	8744	9115	16377	16623	0	4302	0	0	4029	8284	0	4128	29278	Phytochemical	0.5	0.85714287	0.0
24	C14 H12 O7	293.06558	293.06592	0.16695541	293.06564	8880	9711	8750	9504	32713	17483	3510	4202	24978	5943	2318	3137	48733	18519	10212	6214	3245	35763	30011	2297	3804	10722	10672	6174	7345	1354	3528	0	3000	2467	4119	2331	8014	2547	5358	2526	8524	7737	3474	4027	3555	8237	5338	2529	0	5446	3757	5747	5059	3383	7985	9086	19144	0	29780	24056	12079	4852	3357	3084	6971	2456	54316	26779	8611	42123	11384	4866	1568	3593	3646	1834	2980	2363	3750	3372	0	4756	17979	5455	14450	4483	2962	1355	34842	17507	11596	10883	12073	6097	5846	4248	5801	6565	7539	3859	11728	11242	19130	29352	32503	7427	5733	3657	5040	6931	15820	2825	4993	48941	Phytochemical	0.5	0.85714287	0.0
22	C14 H12 O7	293.06558	293.06595	0.1695063	293.06564	14040	14969	15569	17280	39575	24520	5700	4071	39669	8534	5395	8326	46495	29261	10986	4709	6668	54770	36502	5843	7814	17657	16009	9952	12388	4527	6617	4016	5709	4261	7570	0	13770	4895	14675	3237	8852	10004	5159	7251	7102	11471	2800	3590	4536	7327	6450	6749	7849	3297	11381	15661	27391	3347	46123	33254	20040	8601	5932	5387	8110	2222	59568	39634	15014	53545	18465	9163	4377	3767	4974	5968	4606	2674	2539	3968	4523	6030	24496	11058	21801	7408	3506	2487	44322	23275	21531	18040	15952	7967	6856	11824	11010	13510	10537	3846	17063	15405	26447	44977	38079	11740	7873	4321	7355	6203	26881	2904	8931	65491	Phytochemical	0.5	0.85714287	0.0
4	C13 H12 O6 N2	293.0768	293.0774	0.1717254	293.07687	6768	8229	7347	5627	12001	5810	2431	3728	13137	4161	4868	4678	18628	5222	3529	6079	6912	13238	14321	3432	7228	11731	6651	6957	1370	1056	3483	0	2038	2209	3823	2609	8206	4053	6089	3012	7350	3544	9457	3927	7442	7119	0	0	249	3469	5527	0	4501	3657	6301	5429	8420	311	14109	14628	6639	5875	2852	4548	5539	3216	26189	16194	6609	15006	6691	9098	2415	1459	2688	4003	2628	1947	2238	3162	0	2904	6280	0	4854	2370	1636	1386	16838	6942	5629	10709	9008	12751	1567	2958	12305	4526	4565	0	5892	6992	9969	16704	15771	7137	3752	5032	0	7779	9228	0	3186	29517	Peptide	0.46153846	0.9230769	0.15384616
16	C13 H12 O6 N2	293.0768	293.07724	0.22090182	293.07687	21735	19863	22682	17780	15345	15590	17046	27128	11973	9436	15344	28198	21444	8845	25141	32770	39489	22343	26129	5526	5758	30161	31103	38981	18468	1368	14837	5713	14939	18550	26482	14887	27566	14368	11105	13996	30334	20844	40786	8194	26623	22668	770	370	493	9832	14708	586	22187	27478	22226	22443	21935	487	11038	7334	15531	26579	7526	17404	34903	10208	22450	19229	11373	22803	20174	34197	4931	4307	9162	23093	13723	12221	23809	17297	450	21019	44666	13978	26152	5218	8088	3176	13290	11341	37789	27422	23445	64058	7154	17775	61286	23132	20332	476	26881	19742	10962	12745	17478	20518	21081	6492	0	44452	12661	378	28368	29260	Peptide	0.46153846	0.9230769	0.15384616
22	C15 H16 O4 S1	293.0842	293.0846	0.19620825	293.08426	16899	17292	18965	16643	24911	13399	3723	4983	9687	34805	20221	2398	14076	6435	2703	5550	19743	11733	13139	40808	26810	28305	3253	6187	6186	18735	2823	21067	5560	121969	3225	9299	4280	7741	32186	31512	6991	9200	73293	23387	29034	119236	37217	0	593	14142	16350	14726	1879	29124	20114	16066	8639	5304	5187	7332	4837	7461	11331	87879	66574	19150	8339	4024	3958	26158	13725	8542	10053	21613	23016	11297	8732	3032	3897	2565	6048	1993	5041	20326	3849	8677	9521	21370	8989	6456	7603	13554	8389	403227	35178	39803	12069	21578	40421	30079	19464	15706	9666	10163	24530	3129	76598	16795	11746	7573	10336	10476	4421	17867	Organosulfur	0.26666668	1.0666667	0.0
10	C10 H16 O8 N2	293.09793	293.0979	0.06382735	293.09796	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1430	0	0	0	693	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46423	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23556	0	0	0	0	0	0	1243	0	1348	Peptide	0.8	1.6	0.2
6	C10 H16 O8 N2	293.09793	293.0981	0.4677797	293.09808	0	802	680	703	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6432	0	0	0	1145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	854	4315	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12329	0	826	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1212	154149	0	0	0	0	0	0	10686	0	0	Peptide	0.8	1.6	0.2
12	C15 H16 O6	293.10196	293.10242	0.16296186	293.10202	1134287	1281620	1211008	1203770	1194011	814104	704524	843962	2736484	1782116	1261464	545166	1355449	588647	698100	1030297	1570582	3453388	3566742	1974715	4141436	1452068	1646716	870453	523186	1767961	677771	1020725	825384	682395	745224	832298	1148478	743548	4438020	710995	2108078	1448402	1832708	3153156	1657322	831441	46307	19830	27483	938530	897018	24832	1883354	710922	2471252	1265381	2161656	21600	1935036	1059444	765342	1994724	795468	814942	1150532	1152313	3541754	1432301	561120	2871884	1714132	822053	1834431	4897704	4962160	693077	702347	627976	758577	799602	16706	646079	2048490	858605	1715066	1549486	705725	1047865	2326576	709962	2053626	1448898	901125	2024800	969588	1125275	1928736	1038183	1466569	39104	1245435	1251608	1163217	1119732	1135671	1032274	624970	911526	669207	1484006	1102750	21781	1180914	3776700	Phytochemical	0.4	1.0666667	0.0
22	C15 H16 O6	293.10196	293.10233	0.14491653	293.10202	112317	107174	93552	105664	140042	106869	51400	89463	137809	93492	60713	65327	162804	88389	88013	92866	66480	183629	137505	85703	80364	99940	103718	94796	70781	67571	53910	48523	91498	76822	80440	86304	113445	78693	115814	74850	108711	68127	73162	81816	77537	76682	23223	20792	25427	72961	63100	23265	89251	70219	99236	98441	113875	17008	169155	129476	87187	97114	63316	44382	97288	48533	180472	144534	57424	167055	86978	69845	66865	88451	83987	73615	76523	71979	45990	85755	21803	61018	118443	56804	101349	60555	53917	54009	153748	90414	99849	85903	95818	70290	91526	83949	104341	67237	79923	24592	82814	98682	108147	171059	148888	91421	72370	71844	59396	78923	103953	19123	73989	197428	Phytochemical	0.4	1.0666667	0.0
18	C15 H16 O6	293.10196	293.10236	0.14464739	293.10202	541154	538576	509015	494163	705255	553595	321502	480648	638035	593083	331553	285611	1165705	459310	426236	462096	289806	1123013	1070001	626396	513129	563094	453395	457721	366400	347137	286984	308275	560614	388501	592572	464923	695202	474073	638799	457979	717230	353846	323850	503451	368840	466870	39993	19259	29058	350137	252627	26250	495607	339558	512918	521729	580920	23090	1026531	610683	400515	563398	348057	219977	482994	327922	944468	728527	303282	842814	601998	321288	332238	469052	441998	427994	348980	388194	267420	486303	22121	326384	520651	302317	425905	296792	260725	291476	648384	472026	471927	456088	574435	364652	473658	544139	599974	296325	460920	35287	527347	516426	508734	619101	609257	559369	314526	416396	197000	396268	456968	21671	338009	989060	Phytochemical	0.4	1.0666667	0.0
8	C18 H16 N2 S1	293.1107	293.11133	0.65945154	293.1109	0	0	0	0	994	907	1747	0	0	0	0	0	0	1378	0	0	0	0	0	0	0	1258	0	0	0	0	0	0	0	0	0	0	0	0	0	1095	0	0	0	0	0	0	0	0	0	0	0	0	0	1076	0	0	0	0	0	1181	792	0	0	0	0	0	0	1330	0	0	1109	0	0	0	0	0	881	0	22023	0	0	0	0	0	0	0	969	0	0	0	0	0	850	0	0	0	0	0	0	0	2070	0	0	0	0	0	0	0	0	0	0	0	1226	850	Organosulfur	0.0	0.8888889	0.11111111
4	C18 H16 N2 S1	293.1107	293.11148	0.44078144	293.11084	0	0	0	0	0	0	0	0	0	0	0	588	419	0	0	0	0	0	0	0	0	0	601	427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	794	0	0	0	0	0	572	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24113	0	0	0	0	0	0	0	0	0	0	0	472	0	0	0	0	0	0	0	0	0	0	0	0	0	604	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	0.8888889	0.11111111
6	C18 H16 N2 S1	293.1107	293.1117	0.65615326	293.1109	0	0	0	0	0	0	0	0	0	0	818	0	737	0	0	0	0	0	0	0	0	0	0	0	599	0	0	0	0	0	776	0	0	0	0	0	0	790	0	0	0	0	0	0	0	0	0	0	0	670	0	0	936	0	0	0	0	0	1786	0	0	0	968	0	0	0	0	0	0	0	0	0	846	0	48877	0	0	0	0	0	0	0	759	0	0	0	0	640	0	0	0	0	0	0	0	0	0	0	0	0	0	947	0	0	0	0	979	0	0	0	Organosulfur	0.0	0.8888889	0.11111111
2	C14 H16 O5 N2	293.1132	293.11377	0.14433774	293.11325	149897	151399	123881	142751	165986	108161	144183	137876	167949	88342	135546	154493	170232	62930	119355	118519	366819	194354	204866	81022	161467	169917	140540	122877	54764	18461	76474	116383	143379	95925	127088	134982	245905	144750	138639	121107	182479	120465	361084	84346	146211	163778	1514	861	1376	68894	88724	957	128587	86671	128591	147865	162714	1188	177222	94314	107675	165098	48613	105315	98321	59323	194024	180691	101254	192959	157090	450844	52739	58124	90116	103032	120236	73346	118990	120188	990	98450	188104	84782	138139	47486	51606	33547	132385	109362	188589	261381	187875	496469	196044	166947	252751	112181	50758	2640	143744	155371	117823	141862	137285	159176	127925	79102	55045	196463	138928	882	136166	228244	Peptide	0.35714287	1.1428572	0.14285715
4	C14 H16 O5 N2	293.1132	293.11374	0.12977064	293.11325	211635	243574	206620	208028	187664	132491	137845	210050	206182	168586	138007	182157	225308	79273	178432	262517	392357	273409	301126	186828	245734	310962	234730	261734	123852	65368	156342	81836	165234	158487	181474	181361	271913	145377	246992	181301	250285	181249	521190	180766	284329	213506	2788	1369	1299	190522	247305	1668	214008	187203	220049	173490	197028	1511	234052	166875	142826	237388	129627	223969	255307	134643	240206	214308	118664	218049	172678	432478	136506	125544	176861	147841	129616	140307	149003	160360	923	145214	243393	93203	206628	123072	112526	74457	206557	170958	235007	240375	231351	402924	123925	151495	400877	142238	170638	3579	191660	243531	162309	202311	201861	275614	167520	214613	138496	261445	173472	1226	170147	284743	Peptide	0.35714287	1.1428572	0.14285715
20	C14 H16 O5 N2	293.1132	293.1136	0.20936202	293.11325	6291	8660	7351	8600	5263	6464	3999	16716	5256	0	4897	10171	3405	4953	10558	15446	12233	7358	16308	0	6174	8652	14908	23186	10076	1967	7583	5359	11462	9806	11144	12031	17937	9378	3442	12519	13005	8882	15634	3544	5700	7065	1591	2360	1803	4376	5682	2385	13943	12699	8175	9351	9717	1515	4133	2278	6261	14628	3172	7055	12936	2315	4035	5525	4827	4598	10290	16801	2082	1495	3321	11936	9714	6511	10086	10960	1691	8351	9219	5821	11344	3144	5437	0	2128	4270	14587	11412	10706	26924	7650	6881	22364	6158	4019	2425	9118	9155	3429	2599	2485	11985	10749	4871	1519	16531	0	1905	10093	5280	Peptide	0.35714287	1.1428572	0.14285715
6	C14 H16 O5 N2	293.1132	293.1137	0.10924189	293.11322	473318	524833	456688	489842	346889	240913	317703	524527	368211	396199	267486	370924	381259	138500	381144	676019	536321	535243	626698	401312	515713	618282	447832	647929	278355	136703	324577	186136	428015	403126	508123	479416	679637	450729	526906	408497	619662	368518	748071	321030	571893	376681	3865	1216	1029	408786	452734	1212	579112	447882	514193	483779	385716	1822	436822	237606	263324	602242	273901	445001	601100	279054	395847	319250	205440	425810	407035	762785	229975	310142	433112	437203	396992	320710	300126	382341	1029	293809	415160	190614	383038	264855	273649	199259	284072	263999	477337	496387	446777	972909	278423	387656	917244	313466	366897	2450	468553	444599	225423	263453	295753	641203	358149	456142	226412	641440	272265	939	351378	551077	Peptide	0.35714287	1.1428572	0.14285715
16	C14 H16 O5 N2	293.1132	293.11362	0.16086094	293.11325	141942	143952	144781	136794	88010	83205	230697	158588	59734	73591	50171	192577	55866	45371	129539	249213	443047	101255	141509	49893	61821	159675	137404	201789	104096	19559	210794	54594	167760	166926	166041	207421	288635	246702	80938	187236	246877	138648	556745	69124	82708	131664	3288	2295	2512	61636	44308	2273	263445	193575	145398	132246	128255	2668	50793	28736	80122	238441	57367	63274	196643	45020	49890	63255	68535	116772	129284	518380	34694	33814	61316	181418	195921	129220	284249	211209	2016	116081	160092	68720	142610	49523	62088	41266	47179	67538	182350	211803	166250	370522	96904	104514	242233	60043	78669	2600	149724	133822	50043	41435	44798	290907	121674	78473	29056	228515	56545	2005	173776	103382	Peptide	0.35714287	1.1428572	0.14285715
8	C14 H16 O5 N2	293.1132	293.11365	0.06877224	293.11322	532041	585941	448705	541595	333926	281856	357620	543538	361461	389792	249224	412307	348307	165419	431405	734855	647162	472149	604523	434713	473450	745879	499973	721680	333454	148565	430581	207021	467878	435113	501756	557082	660049	505197	529636	430975	668862	429436	841615	458030	609503	404131	4329	1186	1519	450505	459316	1189	641783	468625	483616	542629	365982	2166	437952	220619	269424	633402	329686	423877	641147	298535	369689	378153	226757	421071	378974	807068	253512	335253	427228	481089	465933	329041	432835	491426	942	367033	572535	311085	480212	298998	338489	228190	257488	236087	590075	483823	463406	1182797	369323	472126	1155298	346529	407305	3152	519251	521110	258118	275188	261788	642017	387742	496817	198467	707924	255670	1164	452304	506649	Peptide	0.35714287	1.1428572	0.14285715
18	C14 H16 O5 N2	293.1132	293.1136	0.16194433	293.11325	26029	21073	23814	21394	18315	19182	22714	23598	11804	11002	10149	19613	15855	8376	23635	40658	37737	19819	24733	7575	11025	33619	25526	40025	20377	4819	20862	14806	28493	20607	19226	25683	33650	31433	13366	24785	37389	22785	49902	17221	28383	22702	1988	1766	1936	13656	15925	1912	31934	21933	25264	21753	18586	1664	16461	8011	14731	40534	12804	22957	32411	13945	9748	19134	9599	15197	21733	42039	7000	6511	9489	28535	18464	11727	24233	24842	1041	19652	33552	20981	30092	13807	16126	10055	15708	13497	35930	33179	22454	50526	30574	27345	66155	15452	16649	1508	29371	20254	9450	10410	8633	26764	16554	24134	7708	38376	15902	1554	32358	18057	Peptide	0.35714287	1.1428572	0.14285715
12	C14 H16 O5 N2	293.1132	293.11362	0.07483204	293.11322	245515	256324	276799	254672	170968	161624	241270	293531	137777	182556	135194	190874	141759	68987	215186	351253	377284	263812	287286	214486	243331	446181	260414	387280	223446	69774	179504	97011	268043	215670	254982	278128	367344	281671	247084	233674	345640	227269	471924	241863	302947	207596	3989	2208	1696	200633	191634	1663	308168	233230	253547	260365	205645	1998	179876	76174	129813	388769	204246	235131	307593	161872	169118	168701	104233	211323	197095	427263	111544	151138	182574	266473	242192	185114	233881	233958	1097	201409	277372	163671	256720	151569	192032	124588	112279	117407	318558	240040	220980	723598	233201	290332	672891	205146	207719	3198	263319	266386	108679	97616	95559	321337	194650	212343	104233	409133	115247	1913	276969	260066	Peptide	0.35714287	1.1428572	0.14285715
2	C11 H20 O5 N2 S1	293.11658	293.11713	0.024913002	293.11658	1227	1353	875	1338	1134	504733	0	2288	0	423	0	613	1940	1258	482	0	0	1934	1236	0	327	1875	745	1282	875	0	0	1332	2304	1344	2826	3138	3304	2786	506	2158	4169	0	1114	0	0	0	264	0	0	0	0	0	2810	1326	2126	2348	1707	0	0	385	382	4564	466	0	353	0	1415	592	0	1417	2342	1222	0	0	0	2753	3516	1361	0	1802	0	852	717	3399	896	0	382	0	759	0	497	1561	0	0	28295	47010	2287	492	0	601	1459	2143	730	0	506	1288	802	668	409	1927	516	0	749	2099	Peptide	0.45454547	1.8181819	0.18181819
6	C11 H20 O5 N2 S1	293.11658	293.117	-0.13871251	293.11652	2731	3076	2325	3216	758	646593	0	1012	0	0	0	0	0	0	1818	3463	0	636	0	0	0	962	634	829	759	0	1495	35560	0	0	0	739	0	1214	0	1074	954	1180	0	0	0	788	0	0	250	0	0	0	0	1015	2665	3512	719	0	661	650	504	0	0	3634	1193	0	0	0	0	766	0	0	0	0	0	653	866	1161	0	556	255	0	789	4076	757	653	670	0	0	0	2198	0	0	1599	0	2208	1352	700	0	0	2570	3265	0	627	0	2498	3430	0	0	1348	571	0	670	3064	Peptide	0.45454547	1.8181819	0.18181819
14	C19 H16 O3	293.11722	293.1176	0.111187465	293.11725	8319	5404	5456	8782	1256	2467	10137	4506	2712	4331	4372	5637	0	0	2241	11871	8275	2519	2906	5377	5332	14532	5988	6422	15885	6936	8689	7398	6823	5430	4500	0	6886	4350	6517	3838	4623	5201	9763	2575	11811	2082	0	0	0	4040	4942	389	4516	2634	7566	5382	2645	0	0	3045	3117	17263	0	0	0	2090	2549	2729	3460	3375	3595	10588	0	7443	11241	3467	5141	6486	7902	4084	0	3795	11863	0	10787	6677	3833	5872	3090	2880	15413	2550	3755	81306	0	5981	26983	3245	2531	445	4995	5629	3110	5460	3884	6077	7934	5909	0	12949	2254	0	20029	2403	Phytochemical	0.15789473	0.84210527	0.0
20	C19 H16 O3	293.11722	293.11758	0.17504421	293.11728	21509	22188	19671	18884	14853	8553	9348	18257	12663	23865	25040	11222	12167	15309	12096	38796	13244	10103	14804	21585	28352	38266	16534	41714	31283	48626	9259	18197	22078	9716	11666	13457	18943	16963	19770	20118	19319	9514	12027	19867	27635	14867	2022	559	794	19484	17728	505	16137	13388	22685	18663	14238	1796	9530	7168	9682	47177	7821	10101	37279	12502	12101	9688	6728	14392	17504	15717	44685	46316	63800	14669	14060	9428	13778	15685	334	10958	21503	18932	19995	15668	8678	12911	11623	10076	21119	14899	18003	49213	22207	11341	99375	14977	20478	2573	18020	25624	12377	11467	11501	13497	10797	16118	12839	59639	8424	1090	27915	12060	Phytochemical	0.15789473	0.84210527	0.0
18	C19 H16 O3	293.11722	293.1176	0.16080005	293.11728	12909	17002	14551	12739	8209	7825	9816	14751	6089	9185	9611	10592	6945	6100	13896	25870	12935	8350	12978	17979	18707	23969	14385	26269	27998	36743	12385	8309	10368	11386	10513	12550	12934	8527	13007	14836	10991	10343	12292	16126	13970	6690	1077	0	0	15598	11139	690	14861	13376	8831	15225	7063	750	4858	7100	7882	28356	5554	8337	18925	8109	7943	4484	5061	9141	10730	11791	26565	28145	46723	11501	7422	7918	10923	12184	0	8529	25459	7531	15859	11564	7732	10175	7708	9417	14885	10823	12255	34252	13960	12285	69174	11204	6590	770	18929	11353	12301	9482	7260	8167	11272	9471	5298	29007	6654	0	22636	3060	Phytochemical	0.15789473	0.84210527	0.0
16	C19 H16 O3	293.11722	293.11765	0.1492156	293.11728	10931	8994	9518	10554	6130	3078	10360	6637	4676	7322	6359	7925	3175	2978	8909	18766	10087	0	4980	9454	11204	15436	9810	23579	12087	13437	7174	2885	7570	9135	6826	9690	6510	4939	8201	7628	8865	6973	10130	9241	7426	4262	689	0	322	9353	5166	0	6715	6240	10867	9583	4629	344	2854	6055	3962	24150	3232	6226	8174	4136	3607	3421	3540	6914	2802	11141	11205	14265	21792	6655	4168	8254	9732	10532	0	4857	12245	5177	13948	6493	6010	5032	4470	4733	12442	6376	6619	0	5502	6127	0	3716	5984	596	8079	8413	6860	7242	6142	5628	6556	4794	5289	27681	3775	0	15017	3887	Phytochemical	0.15789473	0.84210527	0.0
22	C19 H16 O3	293.11722	293.11758	0.17006849	293.11728	21891	24673	20736	20580	17543	11678	8380	23061	13231	19985	27834	9362	14640	17972	15867	33240	11851	21362	22376	22804	23305	36505	16029	48340	40464	52760	6991	22967	22573	17114	12431	21900	14685	16172	23083	16483	16299	11265	12824	23366	29057	16356	4241	0	2262	23223	21752	0	18884	15997	17415	19984	20554	4063	9423	13873	16622	47923	9962	11741	47468	17004	11666	8843	8165	19388	25061	22029	47090	47560	56440	10777	10115	11096	10749	15879	551	12634	19666	22320	16383	13505	10393	17308	17586	18189	20743	22511	21301	34732	13202	17832	105919	17865	23104	5547	18884	19575	14792	13703	14260	17284	13819	15983	10488	55543	17073	0	18584	13593	Phytochemical	0.15789473	0.84210527	0.0
24	C19 H16 O3	293.11722	293.11758	0.19137706	293.11728	11178	10499	10501	12347	10486	8277	5615	11653	6432	14716	21681	5651	6126	8673	7553	21074	8253	11810	15288	11694	11446	15226	11846	27729	21152	29115	4205	16904	12682	10872	7211	11216	8252	11043	13323	13294	8330	4909	9491	13687	22730	11630	4701	0	0	16937	13255	0	11278	8039	13485	8485	13733	0	8426	5866	7986	17964	8413	7145	27941	11353	10636	9192	4651	16594	18363	10235	24136	17511	32143	5208	9994	5796	3946	6875	0	6160	11808	14147	9489	8522	4831	13689	11158	5440	11239	11629	10040	13061	8496	8271	69505	12108	12460	3446	10865	13311	9803	9564	9747	10650	5531	12357	8205	23588	8021	0	11508	7711	Phytochemical	0.15789473	0.84210527	0.0
0	C12 H20 O8	293.1231	293.1235	-0.033606842	293.12308	0	0	0	0	0	20906	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1905	0	0	0	0	8914	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1802	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6789	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.6666667	1.6666666	0.0
8	C12 H20 O8	293.1231	293.1235	0.020374086	293.1231	4629	3272	3796	4797	3058	4446	2394	4157	2407	0	3667	2335	5093	5640	2043	0	3844	3558	0	0	0	0	1987	4061	2677	0	3454	6097	5126	3160	5537	4763	2905	4990	0	2677	5313	3116	2031	0	0	2443	1386	953	617	0	0	854	7013	3661	0	3481	2649	962	2466	2032	3069	4031	0	0	0	0	3157	2350	0	6330	4585	0	0	0	0	4249	3923	5393	1521	2803	529	4132	2539	11110	1275	0	0	0	3343	0	2464	3188	2333	0	29362	0	0	5883	0	848	3596	3854	0	2409	2939	0	2252	0	0	2406	0	750	2257	3594	Unclassified	0.6666667	1.6666666	0.0
18	C18 H16 O2 N2	293.12845	293.1288	0.39614722	293.12857	3926	5970	7636	0	5338	3964	2259	2435	2330	7866	7828	4213	10324	6514	3772	6718	10328	8540	7658	7150	9606	6758	4284	7945	2682	7600	4431	6610	4511	3541	3333	0	8204	0	7594	5528	3485	1597	11917	7728	7444	5780	0	0	0	0	3568	0	6776	5423	0	4592	3720	448	5228	6390	3428	12157	3676	0	5608	5066	7610	3846	2078	3642	4070	16306	4754	7698	7832	4610	7448	4144	8289	0	0	1211	0	5890	3880	4800	2388	2280	4202	3672	6486	1293	6106	23823	0	6392	4720	3814	3498	0	3640	6680	0	0	5544	13583	1722	3738	0	11846	0	0	7656	6550	Phytochemical	0.11111111	0.8888889	0.11111111
14	C13 H21 O2 N2 S1 Na1	293.12943	293.12988	0.18956988	293.1295	11628	9182	5960	12580	4992	3980	8484	10296	9896	11876	8982	3148	12884	4510	4476	0	11382	13866	14318	12140	18574	0	11292	5764	0	35796	4770	0	7034	8462	5474	0	10804	6602	13734	7294	12526	4912	11956	9856	0	11642	0	0	0	8776	0	0	11464	4270	4672	11678	4922	0	14308	5568	7958	15702	0	0	0	7072	3418	9650	3186	10364	7054	11187	0	38326	36478	4960	8554	4380	10950	3992	0	6372	5532	0	7968	8006	6754	9866	4330	5268	10908	3378	7786	0	0	5482	9290	0	11610	0	4458	9974	7418	8096	8046	12060	9312	6662	0	6914	8318	0	8296	12864	Peptide	0.15384616	1.6153846	0.15384616
0	C11 H20 O7 N2	293.13434	293.13495	0.19940841	293.1344	9238	7320	9847	8847	16911	49030	0	40911	3899	0	0	7856	18988	21896	0	0	4122	41017	27485	2229	8723	24640	7496	14524	4567	0	0	1722	64688	5531	63679	19855	148231	144557	5197	22891	30969	2024	4967	0	0	26620	0	0	0	8360	0	0	20431	5787	7371	8574	27616	0	4549	995	0	40335	584	0	4666	0	21118	5907	1560	19623	75128	4363	0	2553	0	131577	103781	18843	0	28221	0	10019	1236	0	2076	0	0	0	1092	0	1622	64471	62300	2938	8508	3709	13480	0	0	0	7918	8583	721	678	1106	11702	7602	0	0	56124	951	0	1900	43321	A-Sugar	0.6363636	1.8181819	0.18181819
10	C7 H21 O3 N6 S1 Na1	293.13663	293.13687	-0.4423818	293.1365	2861168	2609432	2377348	2389442	1849934	1450656	2196661	1472654	982676	2135152	1523628	1990639	2039888	1254016	2149089	3583897	1412699	2363016	2859352	3213832	3099316	2828744	2376968	3255756	2052108	3742720	2408012	712422	2710652	2653439	2276344	2576628	3062454	2132520	2558862	2577936	1381223	1087040	3297408	2369776	2586296	1847001	111810	69422	92152	2365848	2250920	87956	1411415	2368843	2610228	2660248	1768244	73064	2819222	1943838	1289385	1793382	2117364	2440992	1771762	1416492	1860196	1039276	1133824	2021464	1622818	1642780	1562226	3776484	1979756	2064488	2101220	2374405	2909493	2588212	67064	1705755	3182794	731662	2744416	2000444	2509886	1740137	2258292	1631892	1596571	1477886	1830184	1750021	2204268	1201690	3459548	1665140	2608908	104084	2480171	2818821	1757696	2183453	2303873	2778684	1961021	2877792	755508	2465763	1836326	74322	2206305	2098820	Organosulfur	0.42857143	3.0	0.85714287
8	C7 H21 O3 N6 S1 Na1	293.13663	293.13684	-0.48836797	293.13647	0	0	0	2138	1004	733	1218	0	0	1338	0	1030	837	0	1081	2509	1258	1153	1466	0	0	2354	1254	0	0	0	1867	0	1401	1417	856	1172	977	1172	1256	0	1639	1244	2076	0	0	692	0	0	0	0	0	0	2106	1226	0	0	1520	0	1271	656	1025	1379	1159	0	0	0	0	748	0	903	1386	0	0	0	0	0	0	0	27285	1783	0	710	1361	0	0	0	1417	0	1431	0	1137	0	988	0	0	0	1468	0	0	0	1777	1097	1316	2653	0	1226	0	0	0	976	2412	0	0	810	Organosulfur	0.42857143	3.0	0.85714287
20	C7 H21 O3 N6 S1 Na1	293.13663	293.13693	-0.28769055	293.13654	1105401	1225948	1132263	986439	1229443	1226312	748455	1090741	1218746	1516319	783929	680425	1791951	1013999	1050653	1096166	792640	1857259	1870616	1765431	1633240	1182641	904751	1112379	884304	897625	783251	812144	1252980	987905	930892	1102607	1539743	1087899	1573991	1000149	1684938	764966	824510	1139984	830316	952462	74665	46971	46156	819521	606511	54415	1126203	821682	1129983	1180740	1114011	40038	1628492	1125248	785972	1252437	976939	612818	1138072	732892	1474629	1278204	592778	1441054	1095215	855215	753278	1182998	1078940	944635	974325	958184	844579	1053737	38051	795311	984846	693818	768879	497031	848957	789369	1039293	802898	984266	958855	1063269	858660	1442592	1480259	1356105	727237	938847	57691	1172225	1180865	893134	1116861	1201221	1443626	776424	1198153	589040	988597	929807	49420	770852	1750880	Organosulfur	0.42857143	3.0	0.85714287
22	C16 H20 O5	293.13834	293.1387	0.108590595	293.1384	434809	450792	365273	391587	527585	500705	302958	439211	480269	437133	229970	258597	613264	446479	419661	427188	320636	795298	565284	495366	459375	402043	394633	437695	379946	250698	273721	249186	496343	373846	381593	419395	587276	432834	478456	437039	632119	352545	346631	331955	267955	347437	56714	38594	48579	297073	215373	50046	466239	340525	413310	422304	438620	40330	676305	459764	332247	500377	347403	191231	442978	241522	588275	496774	268464	601862	425340	311910	215206	397145	341294	394140	338026	357444	248162	417200	37635	316906	447575	189562	364013	197683	308542	226257	458071	328990	417742	362119	391329	362216	506227	483250	517369	214704	310784	50112	363508	443755	366395	510959	478134	535652	341779	401697	216094	413612	369336	42338	333224	729845	Phytochemical	0.3125	1.25	0.0
6	C16 H20 O5	293.13834	293.13892	0.11923645	293.1384	189670	195454	152610	185718	115836	50836	96102	244700	79574	151716	148706	79462	64695	57042	182168	108314	209480	84029	93909	99270	201362	119808	107141	130927	72335	86891	80851	61071	109075	231506	96923	102356	227432	81246	201376	121106	187166	176396	234652	146638	96667	151292	30561	25251	35499	236432	237302	32273	220542	211174	92940	196548	68573	27798	102826	164972	73042	120525	184148	103593	238504	118798	71129	129916	49609	63989	122600	271518	204656	175668	225602	83107	180730	207322	65066	116870	26777	73386	106459	58131	208380	220830	115569	118816	74922	132594	111233	61518	157192	260836	87621	97118	246276	67907	166958	34745	183854	204594	127376	152966	193718	231140	196588	229928	93840	187036	63061	25627	87183	62589	Phytochemical	0.3125	1.25	0.0
14	C16 H20 O5	293.13834	293.13876	0.105179496	293.13837	4833518	4594318	4333608	4873350	2031057	1562369	3841618	4145078	1911140	5003772	1791901	2910498	2336452	1360934	3361606	5102764	5089490	2766431	2693813	7026514	7311930	2410792	3699814	4478774	3340490	3943696	3734134	1806666	4109584	3842932	3468922	2278761	5342214	3662242	5803252	4050664	4780518	3110084	5219776	4953952	2603890	3407340	90644	41273	40728	3446872	1663694	48332	4753828	3418624	4543518	4194484	3700846	40064	2562915	1732192	2728252	5627232	1539834	1717017	2324070	3076468	2298973	2034439	2288742	2221881	3476292	4952820	3080622	8585064	9126726	3298320	3336972	3384798	4239514	4090116	32369	2832186	4471840	1534819	3615174	2825310	3880380	4151196	1984816	1331979	4849354	3524430	3896616	5939536	4763268	4236596	5668672	1400148	4167212	69420	4742500	4556458	1612611	2031372	2130090	4793048	2923994	4684126	1051223	4177564	1708642	43059	3509354	2081953	Phytochemical	0.3125	1.25	0.0
12	C16 H20 O5	293.13834	293.1388	0.08703175	293.13837	2767838	3189130	2996588	3071460	2129624	1621762	2457092	2788448	2068822	2601796	1914304	1658236	961692	647038	1993330	3919840	3067150	2792296	3318498	3783526	3711524	3162466	2301008	3189484	2028692	3922582	2760420	864740	1414421	2482182	2361520	2862486	3149824	2287744	2921746	2446504	3003322	2082156	3513428	2529862	3018806	1939688	62002	37032	43038	2232722	1142860	44824	3200174	2594818	3125212	3181790	2118586	34071	3025630	946830	1650504	3452276	968623	1121585	1771880	1656894	1360277	1114461	1222912	2402886	1878714	3148350	1730279	4609116	4779840	2018818	2242980	2204388	3184218	2802764	25585	1886084	2881768	723551	2422438	956347	2343010	1930990	1097218	1648070	3034522	1748712	2101204	3869354	2817356	2991156	3474706	828944	2880188	60656	3133478	3052764	995868	1033604	1155277	3240006	1850448	2905242	733925	2565528	2104712	38027	2168154	2715936	Phytochemical	0.3125	1.25	0.0
16	C16 H20 O5	293.13834	293.13873	0.10666625	293.13837	2585614	2748287	2634029	2643033	2650105	2192475	2082326	2283365	2393521	3673574	2403298	1659816	3101827	1879114	2060439	2790486	5250398	3687577	3853749	4804954	4624573	2744530	2233498	2624033	1857030	4100197	1872136	2153022	2316378	2164635	2236943	2534556	3197343	2071442	3886225	2336161	3175601	1716962	5560656	3101829	3133704	2156380	111264	47434	52692	1981841	1976620	55391	2831929	2079253	2784943	2773181	2425886	49739	2949537	2178062	1683601	3062688	1769879	1904352	2565941	2028263	2990546	2448197	1251836	3061832	2318764	5064034	3441083	4794676	4611891	2028606	2145353	2016248	2360878	2332735	42809	1481406	2504204	1936633	1718752	1559163	2116325	2518490	2459388	1662832	5076842	2176615	2369704	2984392	2697748	2906419	3147659	1934369	2861694	75505	2728780	2860771	1952492	2204252	2639955	3124759	1480246	2428178	1073477	2390056	2163008	45899	3772208	3135244	Phytochemical	0.3125	1.25	0.0
28	C16 H20 O5	293.13834	293.1387	0.09834757	293.13837	61550	55069	48151	54757	55686	86266	43619	63271	53659	51219	35725	35207	70812	50163	50856	60974	53873	602989	96206	72927	65911	61534	55556	66691	45303	55680	42616	39560	66823	59233	53527	60991	74157	49670	68144	64185	62190	39304	51901	51802	42220	56794	19685	17517	35142	49412	36419	22111	59683	65775	58765	53225	49231	29207	60012	50442	39252	67917	37110	32092	72706	31983	57127	50070	33119	60185	47160	53856	55541	55636	55587	51384	48871	62443	50472	66110	28624	41742	50510	34464	47573	40519	46188	40974	53457	32712	57211	69881	55725	52109	75048	58236	74273	29302	40087	24778	61269	67062	44546	51120	68038	82962	51081	55730	41355	56739	39586	18405	42003	54469	Phytochemical	0.3125	1.25	0.0
18	C15 H20 O4 N2	293.1496	293.14993	-0.007913903	293.14957	26417	21114	20059	22778	9479	16285	15191	30659	7377	12624	10054	15070	8439	7742	19753	27685	28968	12511	18159	14871	14463	26484	19004	33389	18873	6182	16608	15143	28015	24135	22078	24563	35851	31195	11549	22042	37305	11543	33447	22861	24698	19943	1298	1248	1046	15923	17331	981	35587	20665	19842	16225	16610	1119	9524	5945	10937	32270	16079	23118	36471	13528	9387	8605	6997	11446	12889	32221	6924	13327	13736	22700	17992	20204	20885	19317	857	14865	14394	22717	16078	17835	17543	15160	5606	9619	16405	21367	21303	40312	37967	35258	44530	16097	24115	992	24223	20056	7069	5012	3344	36730	18656	26683	10605	25342	7029	889	22218	15414	Peptide	0.26666668	1.3333334	0.13333334
2	C15 H20 O4 N2	293.1496	293.15015	0.07244374	293.1496	248348	261205	231334	240760	175857	153641	219558	316872	139796	214535	122645	207859	166337	100906	234548	242875	363790	194967	239085	244637	283020	298946	206766	299353	191876	100559	174557	99894	313774	234660	265285	291854	393505	260462	285032	291919	339038	212363	396835	246653	259795	168225	1341	816	610	165237	198823	879	311999	231315	232869	246423	168892	985	220456	71117	103891	297158	86270	155972	218580	130628	143209	175576	89475	175663	185261	443948	109109	195534	208119	245374	259534	241970	253252	255937	512	197238	260241	125766	216807	92066	128247	132493	105630	126937	244754	196740	199575	359295	194711	248844	427106	163503	212555	1963	237740	263387	100631	78276	101097	321096	198533	299305	108645	303060	114990	743	208149	192879	Peptide	0.26666668	1.3333334	0.13333334
4	C15 H20 O4 N2	293.1496	293.15012	0.08698042	293.1496	403830	470317	429951	412972	244181	253573	313376	568226	226120	368581	202711	283319	280921	134982	376077	565105	544026	327326	372673	436896	421257	577196	336977	656890	514816	187175	325027	264178	490932	350809	470923	455599	601693	370061	486760	461474	615296	316604	636627	339374	356085	252389	2892	917	819	341091	304550	1046	562243	445982	431296	357548	274747	1416	312615	149210	151873	603511	112309	168304	601632	213246	273851	233814	112153	272870	240669	560639	183789	373201	322291	378962	353016	439260	403128	388877	522	337975	384902	379177	322463	147349	191977	221776	183939	178734	382577	270373	314056	517514	1946031	1260722	1428214	292761	404890	3748	403020	472064	163692	222517	232445	553375	304552	402627	171382	601119	183662	1142	344232	341690	Peptide	0.26666668	1.3333334	0.13333334
2	C12 H24 O4 N2 S1	293.15295	293.15338	-0.17900035	293.1529	6697	4214	5837	5186	0	15719	0	3024	0	1970	2417	0	551	3582	7498	0	393	538	0	0	362	1137	985	0	835	0	0	141623	3037	497	3872	638	6000	0	536	1248	848	2196	0	0	0	6875	0	0	0	318	0	0	0	552	6207	5896	2636	0	462	0	415	2254	0	0	0	0	898	0	0	1152	2046	687	0	0	0	0	1107	1089	0	1465	0	1327	390	201735	509	0	0	0	0	1302	698	630	4044	1605	635730	467656	2785	17277	1374	0	7523	6775	680	0	0	0	2011	0	0	1511	0	0	426	0	Peptide	0.33333334	2.0	0.16666667
0	C12 H24 O4 N2 S1	293.15295	293.15353	-0.016946023	293.15295	0	0	0	0	0	0	0	0	0	0	1693	0	0	0	0	0	0	0	0	0	0	0	0	0	2722	0	0	12272	0	0	0	0	0	0	0	0	0	0	0	0	0	2912	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16735	0	0	0	0	0	0	0	0	0	0	7304	54062	0	2353	0	0	0	0	410	412	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	2.0	0.16666667
18	C20 H20 O2	293.1536	293.15396	0.033269994	293.15363	17133	15302	14059	14492	7335	11459	14951	20282	6633	8013	9808	11644	4912	6914	14717	19926	23211	8396	12279	6213	11397	11628	12589	20349	13255	18025	13697	8281	10047	14007	10528	13295	16448	13552	8038	13222	19017	15142	26919	7516	16253	10016	0	0	0	7281	12161	0	19999	16504	14566	14619	10307	0	5129	6595	9858	20528	8515	19448	11196	4067	6715	7115	6500	6279	6978	25543	16667	13311	25155	9068	9701	13981	19379	18275	0	9196	16226	8925	15496	11391	11620	6085	9256	6848	21051	10941	7376	34103	13299	11375	20925	9065	10811	0	17149	14942	10321	13610	11991	18347	12075	17077	6477	14307	8547	0	17562	7202	Phytochemical	0.1	1.0	0.0
20	C20 H20 O2	293.1536	293.15396	0.13409095	293.15366	24632	23229	18856	20604	17272	14324	19321	29340	13836	11826	19467	17179	9769	13656	19719	33372	33244	11105	21783	20962	19520	22368	17543	35172	21777	35816	21043	16722	20229	22999	21471	30256	32220	19862	19186	28128	28798	18959	34990	22004	25274	14369	1004	0	0	14290	16110	0	26118	26986	21167	28660	11564	321	11150	11061	16225	32918	17162	20468	32177	10843	19225	9930	11325	18526	18952	32742	27420	35394	47917	20895	20663	27331	30328	26153	0	19309	26363	16828	25420	9264	18916	12913	17648	15070	24454	20904	17468	45825	22530	23577	30886	14710	16859	0	22217	29184	15789	14320	23478	34747	16745	25437	10310	31540	14088	0	30770	13587	Phytochemical	0.1	1.0	0.0
16	C20 H20 O2	293.1536	293.15393	-0.07151865	293.1536	7387	10917	8539	5722	4059	3865	8804	9435	6749	3877	3473	6486	0	3026	5656	11832	17218	4293	6846	5822	8316	6168	7872	11096	7343	7720	8656	1996	5708	8058	5394	9354	12227	6267	4874	11265	7741	6013	16284	5732	5610	4853	268	0	0	4601	6957	0	11408	7652	8194	7684	4392	0	2545	4746	5738	7701	5103	11132	8634	2933	5239	1736	3447	4664	2964	13423	4362	4988	11155	3965	7341	9776	9035	8309	0	6612	9845	5865	8390	7619	6187	4533	6200	2683	12383	4024	3990	30399	4150	5259	0	3698	3117	0	8041	5136	3313	6261	6141	10225	8682	5613	0	0	3476	0	10341	4015	Phytochemical	0.1	1.0	0.0
24	C20 H20 O2	293.1536	293.15396	0.15001707	293.15366	31438	34159	22940	26616	27829	26227	15793	35702	19539	20690	31252	24209	26529	22989	25483	42303	28157	24327	43332	27966	35686	33301	29928	45339	27869	64682	12898	34451	31052	32424	31809	33754	37391	32344	30650	34673	35507	17904	30323	33140	45925	30555	8159	0	0	26865	28447	0	33785	29609	25757	29033	31179	0	19412	18646	21054	37579	20586	21751	36637	23612	23653	17236	15459	32768	39547	31588	59625	49464	58311	31020	26210	29404	20505	30803	0	26430	28187	33569	24013	19607	19676	31950	26334	18645	32850	29969	32662	47452	24188	28417	56900	26110	27305	2344	26276	30533	21646	22098	29134	47308	23925	35521	21206	36209	15132	0	24147	14221	Phytochemical	0.1	1.0	0.0
22	C20 H20 O2	293.1536	293.154	0.15011844	293.15366	31329	35564	25424	32039	24144	21896	22827	36758	17712	23902	25640	25153	18580	21892	30549	49745	39764	23081	26177	37387	28587	33745	27656	49666	30076	52057	21478	22646	29428	35748	32045	40029	34291	36327	28454	33446	43303	23405	44504	28493	37011	31683	0	0	665	23080	31300	0	36152	29033	33195	29226	26450	598	12818	18694	23969	41729	17971	26822	42196	19633	18116	17821	15007	26208	33170	40531	47040	45556	62576	27791	28253	29314	30232	34893	0	22987	40745	23040	31718	22260	19613	22801	23266	25939	43859	32680	30128	57094	34731	31844	66574	29608	28740	0	29735	33455	23663	24783	22780	45463	21496	34686	21272	37591	18495	0	31641	16339	Phytochemical	0.1	1.0	0.0
26	C17 H24 O2 S1	293.15698	293.1573	0.091636784	293.157	0	0	0	2081	0	0	0	0	0	4490	7774	0	0	0	0	0	0	0	0	8649	5421	5733	0	0	0	7272	0	10699	0	0	0	0	0	0	6471	0	0	0	0	5050	6510	0	0	0	0	6748	0	0	0	0	2522	0	0	0	0	0	0	0	3468	4169	0	3582	0	0	0	1441	0	0	0	5240	4156	0	0	0	0	0	0	0	0	13650	0	5152	4695	4350	0	0	0	0	0	2741	21588	21514	0	12085	11368	0	2201	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.11764706	1.4117647	0.0
10	C13 H24 O7	293.1595	293.16	-0.021458415	293.1595	0	0	0	0	1080	0	0	1536	0	2399	3148	0	0	1995	0	0	0	0	0	0	0	0	0	0	1102	0	0	0	0	1534	0	0	0	0	0	0	0	0	1198	0	0	0	1501	780	1145	0	1937	0	1406	1583	0	0	0	1430	0	0	0	0	0	0	0	0	0	0	0	1378	0	1277	0	0	0	981	0	0	0	0	948	0	0	0	0	993	0	0	950	822	0	0	0	0	0	0	0	0	1669	707	2019	0	0	0	0	0	0	0	75420	0	882	1096	0	0	Lipid	0.53846157	1.8461539	0.0
0	C12 H24 O6 N2	293.17072	293.17126	0.041812435	293.17072	3686	2929	2509	2194	6900	0	0	7887	3972	0	0	0	11822	6318	1547	0	0	12250	8181	0	2166	6037	2975	3308	2162	0	0	0	12976	1976	7219	3423	20638	7454	2736	4766	5940	1289	1386	0	0	5289	2410	598	0	3578	0	0	5754	2721	2653	2019	6512	0	4140	1461	1508	6359	806	0	4107	0	11361	4534	1786	12183	10301	1674	0	0	0	8903	7282	5577	0	3367	1114	2687	0	0	0	509	0	0	1690	0	951	6989	6205	14559	15665	5047	4411	0	0	0	2421	2612	1284	1192	2866	3672	5097	0	0	10583	2565	0	0	30460	Peptide	0.5	2.0	0.16666667
10	C17 H24 O4	293.17474	293.17517	0.0333201	293.17474	39422	36195	29735	36764	21399	22937	43792	40824	22855	22668	20476	26434	19483	23385	36695	59277	50124	25451	32304	28395	28628	41993	32541	48925	39595	34841	45790	26102	40160	38283	33947	37492	41171	25845	25040	39535	36189	30810	62329	29818	28889	27200	11862	6929	9816	33525	38580	9887	36496	41183	35799	39486	20097	7370	32575	29153	20443	54612	32125	38574	50497	16902	21666	23956	22055	22109	20463	69479	27599	34870	35621	24330	32160	36328	62843	43276	6568	24639	44703	24928	40057	31024	40570	24081	37195	28183	52385	15736	25394	72055	30394	35718	57839	24064	31304	9126	36461	39741	21795	38427	48579	37069	35803	39694	15314	32907	28223	6937	42585	20505	Lipid	0.23529412	1.4117647	0.0
6	C16 H24 O3 N2	293.18597	293.18646	0.061051555	293.18597	35818	34623	33864	35007	12550	15323	27945	42752	11944	53749	16635	17950	10969	8862	29442	61522	35090	19637	27914	57917	57643	45465	26323	60749	38128	21622	18810	20421	41021	31789	35582	46767	48122	40054	67964	42725	47013	26367	49576	37053	25938	14023	0	0	0	30554	27161	0	51438	33941	38100	36322	17403	0	18338	4517	11012	61820	945	4982	53590	16576	12128	8669	5736	14798	18373	57640	14462	51382	40257	29542	29511	29856	32555	31986	0	22749	31360	21525	22241	6159	5416	27816	7649	8808	34225	17611	22317	87247	56970	23512	92443	23242	53777	0	32838	31145	7726	4178	5179	48677	19791	40239	10228	45586	10122	0	33684	14611	Lipid	0.1875	1.5	0.125
10	C16 H24 O3 N2	293.18597	293.18637	0.015122777	293.18597	194860	157553	186554	173091	16701	238092	10421	40420	8581	38132	38098	13000	11403	21245	34440	47438	13675	23429	18189	17961	22095	28712	14156	39708	41765	13036	13656	990396	49685	21698	44525	32738	47142	37015	19248	29631	43245	21580	13584	19395	13347	72124	0	0	0	14644	14920	0	35406	24591	203958	193036	12546	806	7790	3893	9136	53189	0	6049	26044	6710	8430	5524	10514	25346	23189	25379	7638	26835	20098	26840	23974	25351	14065	20026	0	23099	17148	1564945	11853	6103	4093	13076	4806	18301	27980	19607	25540	43288	10985552	5030098	53417	220642	164131	681	188137	207186	9240	2854	3843	31371	24095	22275	0	30041	5970	0	18856	10551	Lipid	0.1875	1.5	0.125
14	C16 H24 O3 N2	293.18597	293.18634	0.029809298	293.18597	52019	57838	55248	58595	6106	19152	7478	10472	3318	19157	18974	8497	3887	8466	5939	19148	12807	3261	4571	10964	8751	13707	4481	13643	12735	6580	9467	83526	12201	11438	13328	18949	14849	13647	13616	15544	17105	8049	18562	15357	25414	7387	0	0	0	7722	11653	0	17736	12582	39753	45453	6816	0	4506	1221	1815	23568	0	11199	0	5446	2741	2783	2554	8144	11341	20179	0	13070	14499	9323	9798	11621	13360	12159	0	8068	8675	51810	4028	4730	7767	9850	1603	4196	15144	7761	6201	26583	3859113	1423220	19451	28022	37296	0	47747	52928	2208	2251	3354	15117	9167	11670	0	16850	4381	0	9654	4077	Lipid	0.1875	1.5	0.125
8	C16 H24 O3 N2	293.18597	293.1864	0.03977221	293.18597	26232	32574	28993	27289	15595	21450	17448	30000	9134	34232	15841	15747	10531	6191	17912	44352	27730	14073	25242	39092	34860	36548	18642	39742	29864	19848	21082	23757	31061	25689	28496	37141	38516	33896	44973	27427	42401	20619	31569	28477	18186	13929	0	0	0	21983	22012	0	34115	26059	22680	32132	16463	0	15901	4215	7853	51105	0	6182	31506	12446	12110	12343	8005	16008	15541	40097	14592	34899	29057	29873	30439	22266	27711	25785	0	16599	28848	21791	21527	5425	5609	16893	3892	5937	34412	19925	18054	68903	49112	15649	69661	19619	34450	0	27873	28763	10269	4287	3991	35859	13530	27221	7580	26866	9245	0	26866	14528	Lipid	0.1875	1.5	0.125
18	C16 H24 O3 N2	293.18597	293.18628	0.035032537	293.18597	3122	4167	5386	2749	2337	0	3887	4894	1188	0	0	2032	2886	1437	2014	6336	7381	3363	0	0	0	8391	4650	7442	4173	1751	3836	3520	5134	2689	2177	4033	4860	4894	0	3257	6094	2877	9439	3268	9104	3597	0	0	0	4361	5877	0	5045	3346	3401	3940	2823	2146	2067	1485	925	9237	1216	6299	7991	0	0	1514	2475	0	3347	6177	2335	1680	2868	2355	3989	3260	3704	0	0	1434	5853	4286	3557	2222	3802	2568	0	0	4056	13193	11985	13356	41241	10576	17643	3329	3865	3675	5351	3157	0	0	1667	6931	2926	6083	1303	5945	1485	0	3961	0	Lipid	0.1875	1.5	0.125
12	C16 H24 O3 N2	293.18597	293.18637	0.06898356	293.18597	173992	171185	167288	170684	9092	8920	5941	12985	3922	32087	52366	5825	11317	9937	4221	13307	11231	9353	11140	11945	12146	26376	8320	14211	7529	8303	6906	233745	11949	11149	10312	23698	28738	14546	14737	11744	17885	5761	18219	14769	16825	8175	0	0	0	11243	9077	0	19323	10575	164306	133792	9805	0	6265	2126	2456	37689	0	7975	0	6001	13561	3640	3229	20211	11427	14831	0	14870	17462	13517	15986	9540	11019	18395	0	5740	5994	129702	8237	5620	3024	6053	4960	2417	14019	9747	13403	35396	9428078	4062333	19272	196094	61736	0	161931	131327	8988	1571	5210	14365	12635	6740	0	14585	3809	0	10394	5956	Lipid	0.1875	1.5	0.125
16	C16 H24 O3 N2	293.18597	293.1863	-0.042947408	293.18594	5604	7124	9480	5926	7344	4787	4888	5754	2887	10340	4828	4747	3985	10435	2697	12127	15416	4081	6586	9108	11227	9135	6748	6114	4815	7060	6366	7037	6935	6067	8913	5926	9266	4872	9077	4806	6283	3942	15498	10195	10851	3328	0	0	0	5945	9707	0	5521	6696	9487	4733	6073	0	4448	1791	3862	9506	3695	8916	0	5683	2891	2441	3449	5381	6694	15885	3947	8971	8997	5985	6916	3723	11715	7743	0	4357	6604	13543	3867	8176	8048	10525	2339	2870	8852	5079	4726	0	65570	24644	0	4533	10650	0	9936	10042	1746	2087	0	6931	4594	8564	0	0	3135	0	6320	4609	Lipid	0.1875	1.5	0.125
26	C21 H24 O1	293.19	293.19037	0.122867204	293.19003	8388	10685	8129	8477	9966	3761	6246	15944	5496	4106	9842	8216	4077	4069	10816	18891	16498	5840	10433	7584	7454	10766	7023	11699	14073	27462	7506	13602	13684	19783	12252	12502	13013	9854	4188	19212	12279	8845	19553	10262	11945	11212	0	0	0	0	6074	0	13007	14321	12900	9988	9502	0	4912	6765	5386	15615	8086	6869	13467	3172	1933	5501	4122	8337	11545	19810	23769	9632	18853	7282	10231	15606	12522	15652	0	8270	11647	9962	5950	8894	7627	5618	7390	6283	15398	10084	9311	16525	7045	10731	15537	11673	13891	0	9160	12048	7063	10458	8091	17531	6434	15895	7541	13662	8795	0	13364	5137	Phytochemical	0.04761905	1.1428572	0.0
22	C21 H24 O1	293.19	293.1903	0.030044839	293.19	9334	8136	5457	7411	5913	3284	10955	8009	8124	4665	6274	10692	5181	5678	8998	17018	26190	4213	6923	6813	4538	6187	5765	9453	9714	7753	9150	4479	7617	8877	6758	7939	9875	6924	5352	12059	10538	9525	27720	5422	7748	8457	0	0	0	4461	9000	0	12014	9825	7264	7458	3818	0	3229	4616	6212	12288	3520	8576	12619	2637	4109	3774	4091	5348	7014	27777	10719	8230	13214	3706	7416	11428	17204	13837	0	4582	17773	8149	8652	3882	7405	5037	7015	8264	16344	6113	8800	20902	4791	6676	7222	9134	4866	0	6877	8425	5918	9251	7916	13247	5763	6975	3518	7941	7594	0	15945	3713	Phytochemical	0.04761905	1.1428572	0.0
24	C21 H24 O1	293.19	293.19034	0.09360906	293.19003	13160	14511	11931	12729	12315	5540	12588	17926	8203	6930	8247	12701	6940	8399	15701	23519	30122	7170	19181	10949	6812	9534	9618	13138	12034	21766	12732	7509	14472	20657	13767	18356	15709	14662	6120	20871	15884	10947	31093	7652	11538	16612	0	0	0	5883	8229	0	16432	18627	13919	12176	9172	0	4015	9768	9045	19869	8653	11790	20555	5592	5960	6414	6255	8599	11274	29616	12407	16287	22430	11390	12236	14225	23468	18270	0	15539	17248	9885	12090	7838	10805	10035	11035	7069	21510	13203	12556	33058	14291	11026	21213	12253	7793	0	13035	14585	8460	10214	10511	22110	10875	14465	8494	16092	10256	0	15237	5040	Phytochemical	0.04761905	1.1428572	0.0
10	C16 H29 O1 S1 Na1	293.19095	293.19138	0.001136497	293.19095	1384	0	0	0	0	0	2294	0	0	0	5971	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3007	10362	0	0	0	0	0	0	0	0	0	0	1009	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2632	0	0	0	0	0	0	0	20430	0	0	0	6946	0	3891	0	0	0	1188	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2203	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0625	1.8125	0.0
8	C16 H29 O1 S1 Na1	293.19095	293.19128	-0.07045865	293.19095	34370	40129	28764	33219	0	0	21950	0	0	0	86941	1302	0	1345	0	0	0	0	0	0	0	0	0	0	0	6984	188356	9053	0	0	0	0	0	0	1110	0	0	7398	0	0	0	0	0	348	0	0	0	379	0	0	25234	43939	606	0	0	4859	23344	0	0	964	0	1182	0	0	313795	0	0	10105	47428	2160	50371	0	0	0	18889	0	360	0	4465	4881	24176	0	0	1557	0	0	5293	4884	0	74073	0	0	0	19251	24411	0	19896	8389	33659	0	0	0	0	0	10780	0	0	0	5931	0	Organosulfur	0.0625	1.8125	0.0
4	C16 H29 O1 S1 Na1	293.19095	293.1914	-0.2812148	293.1909	0	0	0	0	0	0	312	0	0	0	0	207	0	0	641	860	0	0	0	0	0	0	0	0	793	46344	0	22051	0	0	0	0	0	0	0	0	0	288	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1669	0	0	0	73073	0	0	0	0	0	0	0	330	0	0	22859	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0625	1.8125	0.0
26	C18 H28 O1 S1	293.19336	293.19342	0.3906053	293.19348	3710	5751	3127	2227	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4183	4128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	232617	289786	0	0	0	0	6663	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.055555556	1.5555556	0.0
4	C15 H24 O2 N4	293.1972	293.1976	-0.07455875	293.19717	3366	4711	2880	3440	0	0	1879	9758	0	0	0	1923	0	0	3905	15091	11680	686	739	0	790	2638	2991	20776	4614	0	3758	0	6820	0	6319	4457	4670	7689	1761	6379	3337	3921	13525	0	0	1230	0	0	0	4185	0	0	12866	6148	3587	3622	678	0	0	0	691	13667	0	622	14594	0	0	0	0	328	824	12867	0	0	0	6411	4888	2242	12161	3809	0	2232	1742	0	1957	425	494	467	0	1499	1467	2590	2121	4457	1955	0	6422	757	0	0	2944	3897	0	0	0	3764	1943	8173	0	9820	0	0	4390	0	Peptide	0.13333334	1.6	0.26666668
26	C18 H28 O3	293.21112	293.2115	0.07781279	293.21115	227983	234511	238466	217699	205139	164342	610991	204057	154303	193608	328001	150838	167055	323693	158271	252180	210661	158253	223681	301321	272770	178926	100771	131750	182675	194014	624330	549828	308867	360581	194371	268248	277348	205675	243697	292741	199443	161599	231079	166283	189122	316983	34556	19370	30646	186555	168384	19011	388535	265652	252195	227840	169039	52022	189392	206156	189196	308226	190285	187771	249913	132982	191824	134349	243493	287029	365714	252677	132019	146383	145652	149473	188850	246486	165803	285197	37858	154364	154404	573009	93709	431581	321463	242368	196632	229960	382682	175591	198137	245173	624509	492584	203874	223468	231938	23424	239575	261605	189334	209589	299976	289550	155986	342174	372583	151347	212767	18909	204671	201512	Lipid	0.16666667	1.5555556	0.0
28	C18 H28 O3	293.21112	293.2115	0.073132865	293.21115	39299	34773	33582	36516	28428	22617	132267	53363	20820	25587	32718	52036	23105	36041	26959	44380	37641	21068	32264	40590	31690	21753	21967	25133	29147	30258	146290	60125	89490	151636	62408	64826	41753	43780	26972	70340	32679	25006	34222	20357	21854	33409	10535	10789	21288	24842	21233	9823	93603	70396	40199	35302	23267	21590	30247	30054	28797	52533	31647	20877	48450	23780	26025	24434	45602	37603	38118	33721	25291	27630	22304	45182	53860	58081	28474	61601	21079	42915	26882	60406	17067	39392	43500	30066	29320	28630	43704	23307	28328	31299	155664	108936	34517	23599	27591	11228	35956	43514	24357	28825	46156	43278	62506	101992	46604	29680	29104	10859	28206	27891	Lipid	0.16666667	1.5555556	0.0
18	C18 H28 O3	293.21112	293.21146	0.043372434	293.21112	37948	43366	41308	35147	24453	23058	121186	43241	10896	14762	15397	22269	15050	43192	26480	72523	104113	14301	26511	8804	10339	19879	23891	24263	32362	47190	116175	29608	31745	36635	30159	42439	40835	32390	13204	46444	24155	24455	99909	7300	14775	35660	3640	617	760	10685	18565	1034	40090	42457	42503	42257	17322	5156	21809	21159	33225	70875	9769	24777	59709	3279	23290	15502	51735	22799	36619	102436	8675	11387	15245	20740	22630	45458	83786	38594	843	18071	51767	179174	19571	17095	119795	120032	28794	55864	70985	31846	24315	203373	144293	78501	54545	25396	25139	1890	41265	40799	23895	55116	124667	41009	18038	12268	9637	33031	36343	740	48576	15103	Lipid	0.16666667	1.5555556	0.0
16	C18 H28 O3	293.21112	293.2115	0.05495918	293.21115	10042	9238	7175	8861	3412	5194	22519	8201	1675	0	1915	4413	2202	8577	6005	15124	30432	1690	3760	0	2610	4561	5476	5994	10466	4298	22200	3186	10079	8541	9293	11055	7479	5052	3065	11972	6238	9562	29420	0	2372	8640	1024	557	570	3668	2566	663	7339	11051	10927	7896	4207	1260	1857	2440	4721	14361	1594	3212	9089	1579	4045	1168	6499	4353	6185	29729	0	2001	1509	6342	5756	10941	23783	9375	558	2782	13488	69496	5545	4307	20702	18492	6956	10066	21587	4748	7409	45498	57009	20438	0	9103	7511	908	9710	7507	4384	9739	13771	8031	4553	3657	0	0	7864	675	12687	0	Lipid	0.16666667	1.5555556	0.0
20	C18 H28 O3	293.21112	293.21146	0.06837941	293.21115	127179	131682	118208	120076	58741	89739	569551	117188	40772	59202	60444	65944	44925	214895	81510	178697	239437	58986	84636	51142	51670	78486	60729	71727	85106	150084	610814	97936	97025	117760	77607	120813	105589	82089	55549	117987	97984	74245	231679	42258	87218	123484	12665	3139	2362	53909	67192	3635	132628	130215	129171	121891	57264	18932	55676	86160	110934	135367	32283	110918	133716	29607	82363	33243	180390	86744	128715	221526	62270	67768	86314	71546	80911	139794	204518	118159	2623	58170	428675	317922	78925	57612	423317	457169	110446	152607	307492	112722	92811	344471	328847	208839	142758	78429	91416	6908	122260	132452	80270	135108	293442	135622	57810	80014	48969	99613	142398	3426	105890	63289	Lipid	0.16666667	1.5555556	0.0
12	C17 H28 O2 N2	293.22235	293.22278	0.2170034	293.2224	0	0	1515	0	0	0	0	5179	0	0	0	0	0	0	0	19606	0	0	0	0	0	0	1133	46554	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1659	0	0	0	0	0	0	0	0	9635	0	0	0	0	0	0	0	0	0	0	0	1196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3885	0	0	2090	0	0	0	0	0	0	0	0	0	0	0	0	1872	0	0	0	0	Lipid	0.11764706	1.6470588	0.11764706
22	C17 H28 O2 N2	293.22235	293.22272	0.11402038	293.22238	0	0	1451	0	0	0	0	2106	0	0	0	1168	0	0	1531	2246	3924	0	0	0	0	0	1665	2935	0	0	1399	0	0	0	0	0	0	0	0	0	0	1436	7178	0	0	0	0	0	0	1729	1730	0	1581	2825	0	1536	0	0	0	0	0	2436	0	0	4851	0	0	0	0	0	0	6733	0	0	0	0	0	0	1278	0	0	0	0	0	1276	0	0	0	0	0	44251	0	0	8447	2719	0	2986	0	0	0	0	0	4278	0	0	1406	0	0	0	3633	0	0	1240	0	Lipid	0.11764706	1.6470588	0.11764706
24	C19 H32 O2	293.2475	293.24783	0.067438945	293.24753	29749	33876	33288	33513	9232	14925	460507	28934	3024	10695	30513	6391	4309	178358	9304	18244	37797	4182	9759	10071	6911	8962	7135	4959	11176	49276	494831	89295	15639	23516	10719	22185	16203	11417	6916	23019	7781	15604	41488	9318	26202	18674	8535	0	0	13235	20879	0	24859	77989	31692	32522	7842	12858	4445	19037	35971	20325	8130	30953	45528	10203	51458	3734	168014	16237	42633	39027	15892	13288	26891	15843	10484	31865	33127	24847	0	7167	7575	256922	9780	47614	69366	102556	11130	45670	32059	15645	17290	44909	116534	112396	15568	28446	17408	2180	35746	33011	28292	6880	28022	15757	6669	29171	20305	9260	19330	0	14326	26667	Lipid	0.10526316	1.6842105	0.0
22	C19 H32 O2	293.2475	293.24777	0.06657679	293.24753	1724	3241	1823	2574	0	1350	37760	1725	0	0	0	0	0	7613	1830	0	7170	0	0	0	0	0	1200	0	0	2592	33573	5741	2522	3520	0	0	1280	1540	0	4499	0	2206	8437	0	0	1062	0	0	0	0	1144	0	3261	3127	2758	1598	0	975	0	0	1191	2619	0	1826	2999	0	4014	0	8647	1501	4093	9418	0	0	0	0	0	4610	11075	3419	0	0	0	10890	0	2755	13501	16166	0	0	10205	0	0	7336	7147	4198	0	0	0	0	3083	1825	1457	0	0	0	0	2072	0	0	0	0	0	0	Lipid	0.10526316	1.6842105	0.0
26	C20 H36 O1	293.2839	293.28403	0.19765474	293.28394	0	0	0	1954	0	0	31813	0	0	0	6826	0	0	30890	0	0	0	0	0	0	0	0	0	0	0	5377	37644	6429	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2896	0	43422	0	0	0	0	0	1618	0	0	0	0	0	0	0	2821	7005	0	2601	2180	5420	0	0	26308	0	0	6237	5896	2504	0	0	0	0	0	0	3498	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.05	1.8	0.0
10	C19 H36 N2	293.29514	293.2957	0.0993966	293.29517	0	0	0	0	0	0	0	3048	0	0	0	2768	0	0	0	34592	0	0	0	0	0	0	0	10329	21915	0	0	0	24982	5906	0	1308	0	7280	0	113746	2579	0	0	0	0	1927	0	0	0	0	0	0	0	13772	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1027	3764	4574	0	0	0	2416	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1399	920	0	0	0	0	0	0	0	Lipid	0.0	1.8947369	0.10526316
12	C19 H36 N2	293.29514	293.2955	0.21784236	293.2952	0	0	0	0	0	0	0	0	0	0	0	7397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1155	6602	25705	1666	34785	0	2466	14486	0	0	0	0	5121	0	0	0	0	0	0	2152	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2976	13393	0	2120	0	0	6799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4228	8292	0	0	0	0	0	0	0	Lipid	0.0	1.8947369	0.10526316
4	C8 H8 O4 N5 S1 Na1	294.02673	294.02725	0.9411144	294.027	549	0	0	0	0	0	618	0	0	0	0	0	0	0	0	343	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31004	0	1793	0	0	0	2199	0	0	0	0	0	0	0	0	0	0	0	1186	1926	516	0	0	0	0	0	0	774	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1520	0	0	0	0	0	0	0	0	Peptide	0.5	1.0	0.625
16	C13 H11 O5 N1 S1	294.04306	294.04346	0.14881572	294.04312	1768	5428	2997	6327	6884	4042	1234	0	3133	3976	4475	2017	7249	2299	0	2856	2240	5528	3627	0	3142	15906	0	2751	0	3579	1693	3181	0	0	1209	0	2369	1303	7131	0	0	1148	2752	12112	18939	1276	0	0	0	1767	8250	0	2780	1346	3847	4355	5307	0	2321	1770	1478	3573	2004	6361	0	4324	3134	2603	0	6219	3749	1670	4388	2678	7938	0	0	0	2560	0	0	0	4173	17070	1593	3178	1961	6955	5523	2044	5113	4902	4034	0	9285	9722	0	18868	20690	0	6558	3566	1850	3627	3868	2125	0	3319	0	0	3780	0	2256	7118	Organosulfur	0.3846154	0.84615386	0.07692308
14	C13 H11 O7 N1	294.06082	294.06128	0.19483942	294.06088	31406	29919	27218	27003	40960	24594	14823	15486	35245	17994	15935	20051	59714	21576	17643	29933	28957	63132	47925	9590	19106	45661	22010	26267	11580	0	13889	9346	12654	11466	15488	15101	33513	16575	20322	14256	33524	17630	27988	14283	23622	29824	0	0	445	8898	13670	961	15577	11259	28441	27014	35702	362	43128	25749	21393	37882	9648	19226	23672	8981	70828	61950	18821	50039	25602	25740	0	2873	5778	11055	12117	7133	18217	11204	390	13828	27216	24363	20020	7071	5529	4440	34966	19849	33515	41365	36171	63862	21824	20836	48569	30734	15981	659	27204	18547	20772	36466	32034	29934	17429	12156	0	36037	26142	0	15504	79057	Phytochemical	0.53846157	0.84615386	0.07692308
12	C13 H11 O7 N1	294.06082	294.0613	0.18215844	294.06088	34763	35705	30123	36616	51717	31053	18377	14764	48185	20404	24799	20495	68804	20998	18770	35414	32663	82906	75715	14760	28198	55702	31254	31027	11054	1694	12758	0	10760	13426	14765	19019	38149	14991	32514	15406	34147	18281	33880	16826	37518	31971	786	0	582	13794	20490	478	20177	12563	31970	36048	38972	383	55475	35459	25255	32612	8483	18850	33903	15952	85426	59400	20804	74972	35578	34386	0	4933	13863	14451	13780	9529	24618	15679	338	16869	39782	28475	20514	7861	8883	3862	44766	20909	37626	43244	44945	70583	24590	26848	50576	39976	28653	557	38242	31737	31803	42300	38833	40224	18686	11326	0	37823	33981	0	14272	103631	Phytochemical	0.53846157	0.84615386	0.07692308
8	C13 H11 O7 N1	294.06082	294.06134	0.24109344	294.0609	11743	13723	10376	12072	25444	11888	4302	5235	30537	7210	10973	7453	43437	6571	6381	11055	8175	33525	36398	6649	12798	20788	12760	7810	2053	1202	3681	1803	5023	2091	5470	5891	10082	4081	16823	3240	10919	6811	9777	7064	17413	13432	0	0	0	4259	8524	0	5480	3647	13526	12716	18306	0	36917	25610	12208	10364	4943	6694	8982	4915	56678	40435	11550	33333	13014	10242	3515	2879	7977	3264	4242	1543	6606	5156	0	3735	11598	5081	6655	3620	2126	1757	24565	8594	11490	19960	18298	22632	0	8119	16245	13179	13906	0	12842	12046	22473	32281	24914	12026	7423	7508	0	12509	19709	0	2735	58324	Phytochemical	0.53846157	0.84615386	0.07692308
16	C13 H11 O7 N1	294.06082	294.06122	0.19123611	294.06088	11903	14430	13077	14962	24451	21960	7960	7690	18076	8540	5624	10047	38688	12455	13456	18028	14412	38417	38922	2623	4527	18959	18613	17776	9902	0	7708	4052	7876	6081	10145	6126	16784	9777	11443	6471	18102	11075	16889	5741	9375	11963	1160	445	713	4728	7094	711	12298	8062	17393	13419	19543	547	21958	15632	11834	25371	3403	9120	16947	5138	43926	31533	9801	36154	19624	18792	0	3349	2610	5273	9305	3762	11626	7372	560	8504	24472	17977	12702	3833	2936	2216	19508	16408	18679	21126	24268	31230	13388	20840	0	14532	11916	795	10494	8624	9273	16633	17999	13332	7001	6156	0	21113	15313	531	10279	46837	Phytochemical	0.53846157	0.84615386	0.07692308
10	C13 H11 O7 N1	294.06082	294.06128	0.21063273	294.06088	25465	24083	25750	22369	42684	22988	8494	9751	47257	18490	18688	12995	66135	17372	17192	23297	24422	64687	59452	12249	18997	40524	23794	18797	7094	0	11560	4807	9274	8717	10298	12061	29161	11746	26569	8217	27428	14830	23209	13776	25368	27675	883	0	0	10668	12490	0	13258	8475	27775	26805	35913	0	52117	37084	20794	22906	10923	17615	21437	12395	73046	59434	20487	59123	25805	22321	7830	4798	10117	10700	7744	6438	13830	10913	0	10199	22538	15015	16899	6381	6106	3620	43786	16329	25814	35903	33149	45530	9159	17512	41148	28994	24223	0	25579	22258	26605	42296	37108	26161	14385	9500	0	30349	27927	0	10351	90813	Phytochemical	0.53846157	0.84615386	0.07692308
6	C13 H11 O7 N1	294.06082	294.06137	0.21024129	294.06088	5637	6019	3993	4808	10769	4763	1143	2610	14577	3506	2899	1838	19546	3545	1749	3810	2310	12223	11829	1330	4671	6014	3263	3029	1188	0	1309	0	1019	999	2183	1652	4465	2080	5760	1296	2893	2006	2829	1792	3819	5796	0	0	0	0	2162	0	2677	1409	5190	4566	7194	0	13146	12015	4655	3828	1261	3182	3357	1927	27731	16966	4357	12945	6887	5224	0	0	0	1272	1419	652	785	831	0	1232	2946	0	1756	1613	913	0	12324	4395	2267	6487	7765	5676	0	1242	4715	4128	2484	0	4152	3525	6498	14995	11360	4598	1994	2619	0	4646	7772	0	1452	27967	Phytochemical	0.53846157	0.84615386	0.07692308
16	C17 H11 O4 N1	294.07608	294.07642	0.14964634	294.07614	1740	3044	1915	2884	1582	1942	3206	0	0	0	1458	1276	6067	3583	0	3063	6187	1719	3308	0	0	0	0	0	0	0	2502	0	0	0	1350	0	3392	2811	0	1897	3522	0	5054	1451	1980	3292	0	0	0	0	0	0	1647	0	1748	2363	3699	0	0	1702	1904	2624	0	0	0	0	0	0	2585	11148	23658	8551	0	0	2229	0	0	0	2984	1599	0	0	0	0	1602	0	0	2130	1270	2784	0	6198	3899	0	0	0	0	0	2003	0	1862	0	0	1110	2421	2260	1657	0	0	0	0	0	1588	0	Phytochemical	0.23529412	0.64705884	0.05882353
12	C14 H15 O6 N1	294.0972	294.09766	0.13943934	294.09726	401181	447543	453216	420897	354201	244761	350617	315448	354783	532088	338878	280538	385271	130379	247957	433438	551666	550958	565299	489072	551757	737587	271278	390793	201514	195910	293732	233809	308164	272628	286738	324437	522313	281910	653665	291405	498658	263563	698828	544859	780104	314486	7107	3086	2915	319137	369395	3187	401773	276708	448216	429626	365617	3624	507005	224158	221639	443114	252555	313434	397913	382249	503683	425559	178168	448181	287298	595420	386803	404125	550789	231980	249126	230021	481984	296703	1970	254227	351335	380872	278826	239336	210122	253624	247429	205322	363459	326448	352518	687752	351201	455209	573117	480138	640558	5405	439589	435228	244252	241170	243184	491871	262047	307934	198983	431521	252666	3206	264030	728040	Phytochemical	0.42857143	1.0714285	0.071428575
2	C14 H15 O6 N1	294.0972	294.0978	0.21839036	294.0973	19961	18121	14171	18226	37189	17370	8752	14234	50702	22168	38119	15837	68621	12937	11638	5983	16655	42254	40424	16845	43706	31629	16922	11982	5606	5856	2586	18939	15174	9479	13544	10947	26523	11804	37815	10792	18017	10802	17192	19303	36447	21359	1677	1057	1784	10513	16828	2023	13204	8190	19179	20352	30635	1468	54341	31485	18146	18791	8989	17053	7186	11863	84130	60126	16429	55376	23950	24269	15301	12899	22077	13609	12790	10010	4222	13835	1358	10421	14097	11583	11881	10866	10118	7223	27104	14109	13606	30659	27878	24457	12336	14527	28162	22992	8869	3016	20578	19298	27667	44027	39167	15072	13073	13805	11354	20505	24059	1621	10066	88741	Phytochemical	0.42857143	1.0714285	0.071428575
20	C14 H15 O6 N1	294.0972	294.09756	0.09856269	294.09723	23238	24027	23573	20520	26037	22188	14122	20283	19314	23914	15688	16470	26960	14632	20212	28545	23718	33824	32305	3646	14254	43030	21609	27814	19508	3597	14157	13814	22423	21006	17690	23470	31864	24356	24443	14996	30615	15724	20928	17792	23301	23937	5009	4306	3836	12925	17283	4297	25073	13573	22777	23769	25255	3741	21611	17057	17187	37745	15386	13424	28002	11948	22827	28052	10560	33880	21582	23598	9242	6960	13431	22950	17005	9787	16069	18446	3430	16792	27993	35012	24172	11150	16163	9048	17543	17910	29291	27874	28206	46772	26997	24074	48251	31271	22110	4726	25196	27163	18783	17360	20406	29437	21692	20118	8879	33666	19476	4123	23518	46759	Phytochemical	0.42857143	1.0714285	0.071428575
8	C14 H15 O6 N1	294.0972	294.0977	0.15149347	294.09726	298704	338319	232902	317473	299020	177922	127545	188670	380883	449657	323682	167089	478520	101326	145741	281783	303591	397210	463113	380271	555664	526008	191918	249742	90721	192184	160088	200715	175139	162858	169354	208635	288057	173910	634573	160024	287490	150635	388621	508712	747750	222764	5437	1591	1858	255358	371797	1654	221880	173918	305620	297872	261996	2511	481484	264232	172382	225340	193052	276574	258854	371763	510334	468791	131600	377740	223090	338733	398997	349909	634112	182069	181407	128269	164962	183538	1363	141548	217688	223989	155784	196650	156136	229331	245304	134307	215847	254795	266094	400764	181668	275170	384431	388988	456587	3319	313622	287434	237920	294180	258566	285131	146302	265907	152602	258078	231403	1594	135204	640186	Phytochemical	0.42857143	1.0714285	0.071428575
6	C14 H15 O6 N1	294.0972	294.09772	0.16203004	294.09726	166551	180735	145431	172163	167051	90107	64553	121183	212211	242930	187699	90012	275800	60699	80908	178557	124785	250278	255676	186960	309985	272843	110322	160799	50451	78239	65140	92441	97992	91023	96344	104631	175804	97411	283755	90883	147862	86022	170422	176707	376392	122146	3050	1015	1777	142353	215157	1323	119882	94975	169331	175103	156412	2047	267107	180551	94853	174928	94464	171707	163229	164378	321298	232793	72633	216413	137534	188965	176245	168072	305296	89707	87855	76833	71387	89879	1395	68104	98937	84101	77879	95514	74896	87572	156954	93590	124053	148486	143221	307998	92650	131284	247556	198422	213808	2194	160135	150440	126479	192421	206037	151339	86713	148424	108679	165477	131153	1331	66624	421183	Phytochemical	0.42857143	1.0714285	0.071428575
14	C14 H15 O6 N1	294.0972	294.09766	0.14053132	294.09726	294356	295576	282402	328424	262954	224248	203129	232133	259234	358163	224860	162958	392043	113094	178540	291575	261343	417487	370712	237723	321790	589579	197528	273847	174535	103161	178062	177376	193797	182553	196817	268526	377430	227521	397795	188409	356075	160169	290504	371128	460944	223452	8892	2510	3000	207668	229137	3494	268275	171339	292501	286782	256323	3572	324047	162794	156348	378826	197673	197956	276800	242795	339969	309840	125505	360207	220579	325586	193262	219151	302942	187093	185817	143089	221441	211887	2504	164412	239516	268063	194648	147945	177974	187308	190419	138621	281262	290752	279372	615707	301361	336113	516940	320008	391159	4658	294512	260398	149691	185520	160138	319588	162890	254795	103525	345956	154251	2631	201799	450400	Phytochemical	0.42857143	1.0714285	0.071428575
4	C14 H15 O6 N1	294.0972	294.09778	0.15924603	294.09726	53007	57730	48117	49918	69968	35154	16940	32976	96134	62111	65925	29966	126879	29479	26293	42397	56814	98972	98576	53568	95063	79738	42755	45227	14982	26707	21371	26587	25313	25368	27846	26784	49497	22056	84796	30742	48084	25866	65352	59152	101818	50355	2292	1417	2242	39858	69709	2198	32640	28427	50996	42746	59717	2197	127383	108099	43691	41991	32762	55754	44884	46977	150406	119318	38634	86117	41296	58451	59899	41772	70472	23853	22878	23454	17763	28795	1214	21813	32875	26222	29692	28200	21924	19294	87465	40235	30553	56911	52857	63655	24633	34555	71105	53644	52874	4057	45006	55735	74073	125915	107668	49666	28250	44719	37523	43972	62015	1869	19300	186685	Phytochemical	0.42857143	1.0714285	0.071428575
16	C14 H15 O6 N1	294.0972	294.09763	0.15609685	294.09726	134651	142334	153093	153387	143298	128014	98836	121766	124878	146751	94222	94035	182482	75074	107155	168344	154261	235367	195858	95271	133823	215125	132612	172425	103630	38974	91511	86108	121706	92152	114387	132204	181472	117306	166970	114644	187795	92098	169646	160021	196029	120297	5820	3605	4163	93723	105558	4125	162015	100885	152595	154170	151512	4031	132483	92378	76090	185575	81798	98368	176423	96774	179336	151271	65105	172179	138209	132680	74561	89042	117412	114193	114393	78042	108802	107025	3252	80866	140587	159660	96188	71919	70821	78062	103924	82506	165054	149598	148105	282264	133370	153525	307729	162626	184743	4475	143283	136457	83198	101505	106047	163054	71559	98297	45876	200282	96652	3097	127718	250802	Phytochemical	0.42857143	1.0714285	0.071428575
18	C14 H15 O6 N1	294.0972	294.0976	0.14376414	294.09726	59535	53913	55374	55793	60727	53454	39459	52338	48636	60086	35398	41595	86231	36148	43097	62661	62125	86717	96856	31449	43790	88369	54728	79214	43986	11073	38652	36350	51958	39461	44760	47807	88446	55163	59836	51157	88077	36007	53969	55231	78202	55907	4245	2854	3863	31654	45572	3512	60274	43182	58044	63377	68533	3780	74479	35876	34655	74468	30444	36794	66831	38927	67848	60012	31463	68968	60167	52315	29939	26174	39795	49357	35638	29728	43581	43849	3132	37637	55225	70930	45792	31941	26559	23759	49869	39273	67813	58366	66099	80456	61732	69457	107578	59144	71881	4230	57767	59833	37905	43919	45173	76952	33820	46919	19070	71371	33849	3068	47373	94150	Phytochemical	0.42857143	1.0714285	0.071428575
10	C13 H15 O5 N3	294.10846	294.1089	0.09489736	294.1085	29025	26412	25471	22686	18584	14371	19949	28521	18260	17798	11332	18052	20579	8430	23579	35399	37987	25579	31980	18716	18490	42838	27360	38995	22404	4658	19817	8602	17223	17764	20248	24380	31751	19033	21244	19465	32996	22202	42208	27048	29671	19157	0	0	0	18798	23213	0	26714	20800	27202	28287	20461	0	22996	11194	13218	41006	21798	25594	34658	15634	21504	17078	15277	24168	21820	48249	10279	8264	12536	20794	16422	9722	21725	18286	0	17266	30028	12655	25115	15971	17158	7463	17856	15551	30973	26834	20698	74251	22684	29806	71985	17881	22660	0	28347	23997	9623	11715	11987	30224	19202	26323	0	39047	14940	0	29000	30685	Peptide	0.3846154	1.1538461	0.23076923
6	C13 H15 O5 N3	294.10846	294.10895	0.13731019	294.1085	43486	43733	39092	43926	29106	21850	26574	45608	36300	32383	27013	30581	36629	12038	32409	58565	53037	49929	55216	35481	49945	66006	35412	54440	24440	4423	27518	14027	32703	28771	35906	38520	54395	34285	45122	30716	47033	35408	69671	36472	62711	27522	0	0	0	38180	53651	0	45168	37368	47992	46653	34394	0	46231	18630	25732	53783	33262	52999	57972	30244	47400	30822	22909	37284	38108	80361	14253	20569	28472	33918	31841	29943	20893	30033	0	22992	39492	17524	29411	23767	26783	19824	28571	24945	42613	43813	37070	101935	28545	51529	107386	30889	35195	0	45384	36869	19873	20059	24785	50952	28986	45486	22256	57330	26672	0	32737	54887	Peptide	0.3846154	1.1538461	0.23076923
4	C13 H15 O5 N3	294.10846	294.109	0.14417373	294.1085	22753	25827	20728	24530	17867	13278	11814	21079	26316	14735	15271	16937	27639	9390	20186	26899	37454	27065	32675	18655	25660	40814	21684	27880	11169	3989	12749	7080	13824	14498	15690	16583	27742	13389	26284	14870	20833	18629	46972	24960	35927	15587	0	0	0	21142	32340	0	21815	18793	24328	22134	20482	0	28924	26471	16712	21956	20601	31611	25686	18952	36000	27099	20759	28950	16989	38137	10174	8860	13344	16334	12452	15114	11234	12975	0	13798	22156	13983	19017	12674	13526	8726	37500	19541	21165	25404	19284	48479	18404	21368	52550	16282	19618	0	21101	29330	22049	31959	29103	24092	15281	29588	18077	27019	22201	0	15358	37327	Peptide	0.3846154	1.1538461	0.23076923
2	C13 H15 O5 N3	294.10846	294.10904	0.19796138	294.10852	21512	19695	14399	21195	28311	20225	13088	17019	32423	11489	15187	17946	42985	8162	14742	5814	27365	35958	36154	10666	25456	29688	19479	16117	7419	3374	1807	9784	14642	11522	16910	14287	26246	14098	20649	11962	19421	14639	28652	15073	27004	17362	204	0	0	9690	13801	0	16379	9964	19802	19227	21254	0	28735	18216	18277	21724	10122	18017	7856	10309	51399	27925	17092	42551	22092	36428	5916	7727	12078	15712	13450	9292	3038	12321	0	11595	20047	20709	16005	7449	7452	5727	24170	16655	17732	33364	22357	53683	0	18313	45513	18069	3030	0	17587	20015	18152	21746	19124	13065	17068	11390	9468	25145	19580	0	16679	45794	Peptide	0.3846154	1.1538461	0.23076923
14	C13 H15 O5 N3	294.10846	294.10886	0.05138406	294.10846	6921	4873	5239	6628	6452	5484	4751	5983	3736	2445	2484	3205	5887	0	5865	9505	5782	8610	8450	0	6005	13063	5415	9769	6862	0	4853	0	6228	4010	3691	0	9951	4291	3765	2568	5804	6281	10358	5456	4917	5550	0	0	0	2823	5194	0	5742	4100	6082	4785	7846	0	5151	2721	4315	5650	7387	0	0	2533	3708	5645	3718	6992	7060	8602	0	2173	2724	5420	3580	0	4832	4527	0	3939	7690	0	5446	5462	4060	2290	3011	2894	7511	6978	6061	22928	13679	7712	21010	3231	3122	0	4862	4649	3026	1430	3992	7623	3264	5529	0	8968	2734	0	7099	9525	Peptide	0.3846154	1.1538461	0.23076923
8	C13 H15 O5 N3	294.10846	294.10892	0.106778815	294.1085	38753	37067	31629	34614	23377	19046	22626	38232	27184	28977	16761	24738	25625	9233	29715	46197	45053	35934	37257	28473	33287	60580	31462	53104	23554	5538	25630	12700	28161	23524	27160	31779	38223	27359	38656	25984	38845	31998	52886	35646	52983	25507	0	0	0	27387	33287	0	34922	31754	34778	36996	23955	0	42978	17980	19022	38354	31677	37459	39735	28872	36450	33495	20529	29506	25457	53478	15386	16200	22487	28410	23700	19067	25323	23837	0	22761	37389	21548	29715	18704	25141	17006	23633	20732	37535	34876	29147	89987	26771	51645	102785	29026	27137	0	36850	39911	20962	20018	21599	38119	22790	40455	16404	41249	21900	0	29638	38229	Peptide	0.3846154	1.1538461	0.23076923
12	C13 H15 O5 N3	294.10846	294.10886	0.017109608	294.10846	11352	11827	10913	10981	9426	8944	9874	10843	8477	16763	15309	7989	9309	5725	11193	13613	17656	14354	17148	9063	13544	18936	13125	13225	16560	21254	8829	0	12898	7906	6204	8807	13780	9650	15498	7376	12480	11871	19302	10472	13397	11498	0	0	0	10675	8545	0	8771	7597	13312	10493	14474	0	13719	5273	9083	15446	8220	10625	0	7398	12731	11430	5248	16045	11217	19119	0	17768	31782	9492	4833	5195	10006	6148	0	9241	18097	0	12150	11679	9775	7983	7085	8565	18062	8705	11200	45667	13649	20907	33342	11542	10728	0	14067	11777	6628	6917	4088	10490	10532	8650	0	16586	10239	0	13007	12542	Peptide	0.3846154	1.1538461	0.23076923
10	C11 H19 O8 N1	294.11835	294.1187	0.0653249	294.11835	4702	5237	5172	5540	10153	8081	9415	8328	17904	0	4666	5755	24915	8595	5390	7584	6372	17332	15623	0	0	0	3641	6674	3272	0	6491	0	5858	6076	5937	5577	9133	2350	2148	7973	7370	5029	4271	0	2133	7389	1786	1280	1209	0	0	1446	5482	6905	7065	6331	10234	1092	20851	15037	6057	6491	0	2198	0	0	16520	14423	5446	14671	7644	3828	0	0	0	3493	4298	6015	6417	3590	931	5819	2731	0	4103	1827	1095	0	14949	6184	3396	5627	7121	3093	0	3467	3294	1285	0	1178	6819	8728	9785	12105	13416	7586	4774	0	0	0	14724	1364	2307	22933	A-Sugar	0.72727275	1.7272727	0.09090909
8	C11 H19 O8 N1	294.11835	294.11877	0.05821473	294.11835	6811	5313	5367	5553	11292	6907	4484	8646	11176	0	0	4874	24173	8741	5213	10023	6752	14199	17342	2024	2668	4025	5312	12900	4284	0	3510	0	4753	5625	3522	6351	5150	5459	2752	6680	9117	4217	7275	0	0	7054	0	398	504	0	4282	437	0	5381	6010	3992	8227	476	15089	11091	5365	5735	0	2082	6791	0	14129	12470	5359	12824	10319	7825	0	0	0	4734	5518	7012	5267	3319	0	2869	3051	0	4524	2184	0	0	11997	0	4242	6563	8004	5230	0	0	17836	3301	0	0	2776	6441	6790	10618	12679	12483	3650	0	0	8379	16608	0	3373	21151	A-Sugar	0.72727275	1.7272727	0.09090909
8	C12 H20 O2 N3 S1 Na1	294.12466	294.12503	-0.038498566	294.12466	0	939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	933	0	0	0	825	949	0	0	0	0	0	0	0	802	0	0	0	0	0	0	991	696	977	0	0	0	0	0	0	0	0	0	1062	0	0	0	0	0	0	0	594	0	0	0	0	1336	0	758	0	1476	1454	0	0	0	0	759	0	0	788	0	0	0	0	0	0	594	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1101	38048	0	0	0	0	0	0	1024	0	0	0	0	Peptide	0.16666667	1.6666666	0.25
20	C20 H16 N1 Na1	294.1253	294.12607	0.76796323	294.12555	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26589	2953	0	0	0	0	1386	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1586	0	0	0	0	0	2420	0	0	0	0	1410	0	0	0	0	0	0	0	3512	0	0	4419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3701	0	Phytochemical	0.0	0.8	0.05
6	C19 H19 N1 S1	294.1311	294.13162	0.5928871	294.1313	673194	751476	634070	669324	477564	325142	395334	686592	478174	1097402	547610	392162	638376	235728	446164	769052	559446	671996	775168	1153594	2832016	1885312	455082	1509536	319498	638430	358260	382048	622128	585410	577444	676272	925489	613894	2745288	632400	833284	414762	1530176	734354	2082508	411716	9666	4524	6162	588772	710564	5102	777524	541766	1417316	695526	461607	7800	700154	323736	253192	725758	371122	1101700	716028	563442	611130	456048	178288	561864	451261	779848	713650	1012432	1262906	556502	555182	569580	437843	514758	4564	353464	427298	329084	344290	757284	828040	503554	355194	315540	485560	432738	493542	1787728	498076	674850	2025760	562494	841550	6994	647382	624908	247080	318989	379124	824706	394650	707594	325038	685332	309222	4284	711892	813692	Organosulfur	0.0	1.0	0.05263158
12	C15 H19 O5 N1	294.1336	294.13403	0.08311854	294.13364	590870	695667	645220	672927	285783	244708	1211315	678009	300531	752768	448691	509432	263452	142785	397261	869044	578052	460780	514206	1000257	996128	955907	351591	689166	352535	688087	1217603	362909	611411	616749	562581	700408	708454	620562	880005	605225	768375	425081	703573	878925	993817	335808	9191	4548	4750	547816	597029	4358	808651	665495	619275	690120	343724	5118	417496	197777	236150	760147	432271	518328	755709	503394	337716	313305	190676	375729	299055	657291	636927	953924	963044	611371	544065	560404	667438	628058	3246	553458	381568	377162	320001	415573	468882	512341	226490	215533	422360	365882	381251	763744	679127	782338	805809	492422	902203	7459	652558	682586	220634	197950	199408	766107	534351	619887	274825	567436	233185	4803	377855	431474	Phytochemical	0.33333334	1.2666667	0.06666667
18	C15 H19 O5 N1	294.1336	294.13397	0.14610796	294.13364	197452	192013	182505	173909	133676	124693	122738	191318	81037	275660	179461	109998	145734	71690	132858	219009	170998	195312	182276	273156	257371	279692	129414	240111	105630	127796	110849	198831	201457	164624	180221	207837	342152	218228	268573	191713	381203	101121	203015	268529	290706	135426	9207	4634	6330	151614	134062	5147	229612	149929	188415	191958	134572	5799	112174	83325	70746	256317	136596	140128	207012	181372	121360	107910	65962	157156	129352	193870	123122	165320	182717	193092	159231	168631	147997	182527	5145	117437	121806	192591	93613	109180	117818	167508	85140	87168	135266	161224	147654	194296	264205	270581	282015	180196	290620	6893	194060	186652	73843	88534	96855	333381	105943	213271	85060	201082	80878	5178	118930	164035	Phytochemical	0.33333334	1.2666667	0.06666667
0	C15 H19 O5 N1	294.1336	294.1342	0.036176022	294.1336	17666	20075	16914	18132	15775	149687	10879	21411	18906	17530	13707	14627	23499	8853	13929	10024	28028	29888	28911	16361	37468	23884	16631	17163	8106	15441	6605	14721	24345	12393	18208	17953	33397	24513	29577	25272	25888	14643	32128	18191	20412	85178	2884	2277	3904	11345	13308	2062	24322	13921	18863	17255	29299	2724	25192	17165	10926	25354	10963	19114	19911	11574	19581	21321	19979	18887	43208	36223	17833	17610	17408	17447	25307	19117	6793	24911	2833	12684	14975	9742	12214	7533	12292	5480	15092	14100	13051	21485	21313	18717	12315	15591	27056	19321	11765	3166	18199	20101	13043	13257	15887	19289	10721	16348	11746	23952	17292	1980	11490	24953	Phytochemical	0.33333334	1.2666667	0.06666667
20	C15 H19 O5 N1	294.1336	294.13397	0.124189325	294.13364	213870	216096	192494	168974	64454	44718	45105	56528	37925	56396	47959	78065	53233	39702	40211	62202	727867	66589	71781	57493	117073	80380	49744	65450	43003	23463	42951	44896	70188	44435	60249	54648	3967680	50900	66173	43911	3978298	33572	513095	59898	74236	50494	8858	9815	11481	41727	35514	9758	60392	39058	187794	204693	63530	12725	48882	30749	47362	66738	38311	39162	62043	48284	50453	45102	21991	77754	49593	520282	31529	34625	60959	52406	43788	37384	38672	43777	15717	51589	47407	71057	31768	28048	36886	32402	71859	35596	48855	47391	49810	52697	65888	70674	84739	60553	75045	8732	208498	199195	38642	34852	41740	5207726	64485	59843	33451	116739	45394	9091	49704	71021	Phytochemical	0.33333334	1.2666667	0.06666667
14	C15 H19 O5 N1	294.1336	294.134	0.10571308	294.13364	651527	624214	581859	637385	322099	285150	532679	568727	265212	916227	533715	389228	339399	180871	344220	617659	553888	468730	432273	963246	998955	965013	344231	609942	383777	586330	506002	492166	502900	500497	571519	719657	752096	604976	1058631	552941	799476	334186	584874	1033232	948211	332933	10643	4525	4812	485387	531345	5405	756381	458819	619932	548509	356292	5202	358547	204327	231189	782258	405391	517437	543145	495342	313094	302496	173397	386571	318655	628673	469114	852507	920060	591424	539260	509828	502661	579117	3273	390221	391827	489765	320841	353412	540460	697334	262307	205510	404917	419709	429908	798878	686568	741598	868628	563357	886450	8157	635886	532456	193618	208811	224364	680617	395155	704700	276661	654212	224717	5128	425874	367449	Phytochemical	0.33333334	1.2666667	0.06666667
8	C12 H23 O7 N1	294.15472	294.15515	-0.001899605	294.15472	4317	4666	0	3913	2053	3332	2920	7743	3342	0	1597	2441	6389	3323	4305	13608	6003	5867	4734	0	0	0	5747	6865	3872	0	3230	0	10814	6904	30086	6145	7970	6227	0	4104	6915	5006	3875	0	0	2938	645	0	0	0	0	0	12940	7242	4417	3077	2331	285	6244	2472	2044	0	0	0	7840	0	2839	2801	4068	4078	3387	9096	0	0	0	8165	4695	4474	3888	4340	0	2379	3461	0	4105	0	3007	0	3758	0	3429	2467	2589	4761	0	0	2956	0	0	0	4327	3193	2713	2339	0	4799	2180	0	14344	5537	2969	0	4613	4612	Lipid	0.5833333	1.9166666	0.083333336
14	C12 H23 O7 N1	294.15472	294.1551	0.057619806	294.15475	0	3778	0	0	0	0	0	0	1315	0	0	1467	1447	0	1684	0	4461	0	0	0	0	0	1089	0	1724	1822	1925	467564	0	0	0	0	0	0	0	0	0	4597	3729	0	0	0	2818	2896	1379	0	0	2846	0	0	0	0	0	1435	1998	1193	679	0	0	0	0	0	0	0	3523	0	0	1763	0	0	0	0	0	0	2910	0	1721	1562	3514	0	1548	0	0	0	3033	4295	14791	0	0	11003	0	0	2073	0	0	3232	0	3828	1428	3016	4447	0	0	0	0	0	3352	3381	1776	1581	Lipid	0.5833333	1.9166666	0.083333336
0	C16 H23 O4 N1	294.16998	294.17056	0.008717573	294.16998	26236	26316	24178	22715	4721	0	27904	45328	5821	22872	14945	30971	5624	0	30791	13774	45389	10953	11397	22962	49553	32375	29506	27617	11593	24588	15417	15714	44739	17144	32900	33069	40526	37807	40250	37352	34376	30268	56114	31346	44748	14637	0	670	672	16545	20493	468	39626	33743	21675	20879	10298	571	5682	4485	7671	36622	19575	30507	24808	27602	3965	6517	15324	8776	14121	59013	18949	16938	20565	39748	48495	37965	14270	44782	631	24842	30138	20965	27195	12316	27668	24650	5801	10571	26072	14558	18783	40194	20111	26757	45077	34097	17464	875	21331	28102	3700	3476	4124	24314	18411	33487	16348	37164	5264	439	25022	5455	Lipid	0.25	1.4375	0.0625
12	C16 H23 O4 N1	294.16998	294.17044	0.16873908	294.17004	107673	102770	105490	112154	52155	39652	74484	108843	36898	120136	78048	56571	39611	28584	48003	143733	118002	65190	74436	175343	198458	154247	59561	114956	61843	171798	84779	55175	164379	94017	82739	130595	111401	105055	154974	103892	105065	57926	125942	132980	165924	51041	1906	1003	1051	117156	114319	1015	159076	91356	106251	104865	52667	1418	47897	27434	34734	117927	39123	87944	98884	73896	42894	34407	23766	56907	53477	114834	125917	201860	203659	87232	88133	89933	135626	122213	842	56340	65284	74479	56269	58416	67345	99594	36540	31933	72025	47610	53773	164275	143405	129301	161198	76710	148056	2111	99010	120630	31679	29506	29857	124509	54214	103891	46890	97133	39252	941	67977	51185	Lipid	0.25	1.4375	0.0625
6	C16 H23 O4 N1	294.16998	294.1705	0.11470176	294.17	183736	198579	175191	179016	111422	121810	214371	605330	71589	360223	130558	168785	98790	75092	237885	385560	353784	115948	144557	435885	409528	224408	145096	307593	284401	208635	138772	129114	867116	297896	361590	330480	312537	620813	428634	634504	283544	177346	321708	225613	199292	220988	1541	705	754	162827	161101	795	661078	574198	202933	183373	143085	1203	94736	41158	57888	291167	20855	67770	258456	117930	95829	58315	51230	102112	229425	260053	164666	402187	369345	296787	297428	231907	176694	259603	692	187230	128156	109078	91064	52797	59754	153092	41549	83591	118264	128620	167127	189805	226961	161439	242036	124555	231934	1155	186108	178108	35956	41337	50445	263492	154452	294513	80950	223220	52182	708	194541	111236	Lipid	0.25	1.4375	0.0625
14	C16 H23 O4 N1	294.16998	294.1704	0.1458263	294.17	138852	130998	129578	136188	78329	61034	97061	123707	55714	180995	114521	85891	73464	41292	72103	163938	173769	86282	86642	231062	264375	205218	80059	130829	89508	290460	104034	116505	112064	107244	104215	151056	125238	120449	216498	128894	137591	69189	172175	193800	263646	70854	0	1131	1175	123507	157461	1128	146617	110819	133606	132174	69265	1431	65372	44676	45435	168551	70512	141686	114555	98388	60541	49305	37336	77657	74604	178910	204481	253482	295027	120705	118167	109509	151323	121582	934	76268	87007	131448	73323	80942	122915	151436	61562	43577	109540	90400	79689	264236	197197	187633	191045	116486	203962	1760	134279	123986	49174	43407	58598	140337	73079	176951	63182	129928	63130	925	103544	62680	Lipid	0.25	1.4375	0.0625
2	C16 H23 O4 N1	294.16998	294.17056	0.14070882	294.17	303218	297718	260515	267423	61512	136751	220138	472331	47922	311860	158368	476240	69954	46363	531122	865018	744956	105185	137714	385488	757962	322432	414526	369781	474356	151112	250107	122592	437688	384268	447588	433863	479132	361902	708504	429456	456013	444274	820382	627424	549952	145070	1812	630	738	191052	505212	657	526730	366835	249181	265212	99175	1092	71154	25595	59099	392671	64390	106219	770126	149200	50582	70823	61278	89591	159682	451756	147613	472440	248621	356021	385204	458015	767808	381070	697	255689	460684	138272	389244	94324	139732	329820	39274	68597	396556	136081	166049	372018	268025	265981	877536	182682	357504	1742	282946	308287	38693	30198	31128	441384	446424	907706	121905	312944	31667	615	411742	71191	Lipid	0.25	1.4375	0.0625
10	C16 H23 O4 N1	294.16998	294.17044	0.14021645	294.17	217794	195136	180043	171434	99195	98491	160868	216997	54932	202224	96488	118997	65426	37174	122045	296780	385673	174692	166797	272791	299042	210810	152578	252419	144406	139093	188895	89437	221892	159726	157593	225029	345752	234077	305881	184874	324178	115563	513362	173168	188542	158602	2879	1204	1083	132217	122420	1303	280182	159920	207600	199355	242145	1582	60683	35795	72987	288092	26259	150498	255326	80049	48726	50405	63756	205022	145254	548920	114101	197429	209874	169158	151532	115277	300338	160222	919	106361	172251	83612	164462	57382	60660	93395	57438	84531	226537	371913	174850	214704	169754	129136	297806	98753	167234	1520	186541	197858	57609	44644	51922	319694	104774	219377	42105	206368	62638	1022	175427	79709	Lipid	0.25	1.4375	0.0625
18	C16 H23 O4 N1	294.16998	294.17038	0.17774431	294.17004	144568	145578	146398	133502	93016	78392	109212	124399	59795	196469	125185	90060	91357	63678	91775	177591	180730	117231	139049	272792	232123	193089	84844	154462	90071	183060	100253	130049	149700	137017	112415	142845	179160	158901	188553	157367	185430	79025	171899	191123	234410	83925	4522	1461	1654	123146	136092	1499	167156	117277	134820	138438	93643	2442	85569	64732	56919	158616	101876	137204	159209	130031	68038	64251	48160	110709	94189	193244	145982	194850	207391	121792	115643	119920	175140	143362	1076	86090	101601	151984	69296	85991	113910	134861	73773	68260	114584	112046	95432	211254	238223	226456	215851	128769	223685	1964	146826	131748	54859	58518	67205	198956	79238	165233	67675	134983	67643	1192	103176	76423	Lipid	0.25	1.4375	0.0625
4	C16 H23 O4 N1	294.16998	294.17056	0.16951613	294.17004	625664	626736	620996	616405	167390	243643	488146	1122116	74920	481683	208682	513273	99811	83252	490353	861979	1372594	292538	317309	558990	562293	496266	519378	658512	607899	246404	517504	176268	1152690	738098	793111	1095519	947106	1004805	665093	1087407	833260	441663	1312388	385010	327452	514364	2596	960	980	345854	301117	1209	1528260	1088361	632514	514356	467639	1192	113492	41578	219572	772123	54652	100665	774429	203780	83618	112098	127672	423940	380380	1581427	219923	405267	456161	743516	834763	697146	1331269	791608	580	572872	718979	209967	615160	157055	151200	244578	66629	203674	611239	614435	484210	971908	394004	292637	640148	235546	406593	3655	591098	695596	72118	48131	57790	753523	484948	498843	177977	545899	69630	922	765602	111584	Lipid	0.25	1.4375	0.0625
24	C16 H23 O4 N1	294.16998	294.17038	0.26221448	294.17007	6028	8176	9484	9336	26681	12951	5672	10724	18828	5054	7817	5548	17439	14161	6743	13457	9599	21004	18825	10694	11626	6823	7315	9688	8735	2690	4032	10278	13430	8948	9360	11711	9658	11055	4557	9091	14982	5488	9057	9514	8944	12137	1829	0	0	6374	5259	0	13926	6887	9022	8342	18042	0	12613	11215	9174	15535	9195	5959	16908	6586	11760	9810	6919	24119	19913	10436	1929	1923	2860	7122	8882	12290	11809	9261	0	6856	4115	6610	4851	4633	5776	4480	11731	11103	8624	8887	8920	9833	16535	14936	10103	3485	5281	0	11034	11335	76082	10083	9783	11466	5958	10443	9601	8176	23770	0	5938	12111	Lipid	0.25	1.4375	0.0625
16	C16 H23 O4 N1	294.16998	294.1704	0.16455616	294.17004	162953	166431	160209	172155	86887	86284	111905	156422	62888	269414	153576	102418	79064	58896	105758	210612	220135	122315	140677	366424	381878	237094	105592	186038	111476	295371	124689	157509	152257	147141	141838	157432	189920	147681	279212	176088	188828	95664	217581	248712	314244	102686	3374	1521	2141	156845	191498	1748	195953	152281	175643	167916	102985	2020	80472	48788	56014	204178	99534	189329	187729	162425	63526	62543	48399	103602	95577	219088	233194	310831	353039	147967	144711	140153	196063	142598	1117	91165	117114	184625	75195	129929	153236	182101	70763	63039	132587	121595	101158	371459	220555	262185	258315	187913	284179	1928	169341	166740	64584	52939	71036	199426	82682	171086	74339	180451	77283	1605	120824	84779	Lipid	0.25	1.4375	0.0625
2	C13 H27 O4 N1 S1	294.17337	294.1737	0.5237193	294.17352	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10409	0	0	685	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	729	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26118	0	0	0	0	0	0	0	0	0	0	13612	4124	0	1187	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.30769232	2.0769231	0.07692308
26	C13 H27 O4 N1 S1	294.17337	294.17325	0.33443213	294.17346	0	2373	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6259	0	0	0	2040	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4173	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15677	0	0	0	0	0	0	0	0	0	0	5290	0	0	65522	11278	1948	0	0	0	0	0	0	0	0	0	10253	0	0	0	0	0	0	0	0	Organosulfur	0.30769232	2.0769231	0.07692308
28	C13 H27 O4 N1 S1	294.17337	294.1737	0.25524715	294.17343	2274	1884	2271	1892	0	0	0	3438	0	0	0	0	0	0	0	22333	0	0	0	0	0	0	0	0	0	0	0	0	24179	5310	975	3146	14675	3004	0	4321	68684	1186	0	0	0	0	0	0	0	0	0	0	5452	3639	2514	1351	0	0	0	0	0	7053	0	0	2262	0	0	0	0	0	0	0	0	0	0	1007	1913	0	13861	21726	0	0	0	6009	0	0	0	0	0	0	0	0	0	5288	0	0	6463	0	0	0	1554	2794	5051	0	0	118661	0	0	0	46520	0	0	0	0	Organosulfur	0.30769232	2.0769231	0.07692308
6	C13 H24 O3 N3 Na1	294.1788	294.17932	0.9746115	294.1791	1970	1318	1766	1700	0	8435	0	0	0	0	4065	0	0	778	0	0	0	0	0	0	0	0	0	0	0	0	0	54885	0	0	0	0	0	0	0	0	0	0	0	0	0	722	0	0	0	0	0	0	0	0	2274	1804	506	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	154366	12355	0	0	2655	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23076923	1.8461539	0.23076923
4	C13 H24 O3 N3 Na1	294.1788	294.17938	0.5996863	294.179	0	1092	0	0	0	3797	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	350	0	0	0	0	12509	0	0	0	0	0	0	0	0	1124	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	77382	0	0	0	434	0	0	0	0	0	0	46714	3574	0	0	0	0	0	1202	0	0	0	0	0	0	0	577	0	0	0	0	Peptide	0.23076923	1.8461539	0.23076923
6	C15 H23 O3 N3	294.1812	294.1817	0.04775406	294.18124	15718	18884	16550	15672	5678	8328	12896	21157	4547	17299	9367	9621	3161	5740	9866	26727	18772	7357	12308	31353	30691	15595	14064	25816	13603	24627	13503	8076	21121	17360	17786	32229	22680	19727	23727	24260	20963	9806	26116	21935	14892	6211	0	0	0	14997	16829	0	24309	14503	18788	19890	6740	0	5789	1870	4508	32135	0	4733	22507	10917	3328	4072	5562	6514	8194	24842	13844	29113	27175	13515	17298	17060	22221	18205	0	11388	12708	13407	12764	5295	3742	17832	5025	7749	15372	10170	12018	41779	24855	10100	37361	14081	17777	0	16948	14526	3963	1706	2506	25222	8117	16001	0	19562	3431	0	13471	5348	Peptide	0.2	1.5333333	0.2
0	C15 H23 O3 N3	294.1812	294.1818	-0.03275454	294.1812	11465	11784	10885	10317	1539	1051480	8477	12234	1333	8313	28393	6798	0	0	8610	4867	11175	3109	3665	4583	9291	7243	6781	6775	6874	2754	2814	356575	11424	4516	8199	9192	14907	11487	7891	9850	8480	6963	11525	8308	9076	23100	0	0	0	4630	3594	0	9558	7115	10666	8132	3253	0	2074	572	1945	12450	3862	4804	5630	6290	0	1199	3158	2120	4158	13205	2220	2524	2121	8147	9958	8189	0	7033	0	9235	7878	875189	5594	1943	5491	4954	1000	3690	7843	5235	6064	8902	663793	123996	16375	16482	3269	0	10540	12870	1383	406	982	9155	7149	7834	2687	9060	1595	0	8007	1086	Peptide	0.2	1.5333333	0.2
2	C15 H23 O3 N3	294.1812	294.18176	0.00288988	294.1812	43076	46887	38913	36471	6181	373033	22123	31606	6138	29508	39664	20264	3805	5067	23398	25646	37231	18717	14187	24696	27945	32017	20405	30154	20693	9121	14552	29110	31071	25802	26104	31873	37406	28488	27446	29874	33775	20125	42268	30928	24556	14467	0	0	0	17024	20678	0	29604	25202	38184	39372	9079	0	6621	1849	6112	33190	5830	6955	21597	14836	5854	5832	7085	8964	12685	40183	7034	17134	15912	26712	24400	27042	25439	23996	0	20215	20413	94855	17643	6680	11444	16823	3591	5998	22141	16450	14660	49333	90241	99730	56273	117883	20398	0	40096	42852	7057	1650	2225	29001	28716	32923	10465	28501	3086	0	22165	6519	Peptide	0.2	1.5333333	0.2
8	C15 H23 O3 N3	294.1812	294.18167	0.104398854	294.18124	14971	15788	13378	13241	7018	8327	9295	14580	7469	18598	8311	7598	5706	3105	7375	15557	12676	12268	18448	20575	22841	15505	11210	16136	10475	11260	9769	8036	11479	11765	10380	18756	16856	12861	18556	11992	20447	6442	16838	20995	12849	7883	0	0	0	14530	14189	0	14002	9378	14408	13459	7102	0	9411	3848	4757	15939	938	4730	13915	7329	9265	6669	5620	8476	7630	17215	10201	21764	24536	14079	12969	11450	12799	11811	0	7779	10784	9772	9343	4695	3539	13819	0	0	12263	12268	7814	28082	22338	8676	35607	9028	15688	0	13239	9244	5921	4365	3760	16979	6247	10789	0	15684	6170	0	10670	7919	Peptide	0.2	1.5333333	0.2
10	C15 H23 O3 N3	294.1812	294.18167	0.13542975	294.18124	5744	5303	7396	5121	1484	1872	4685	9095	0	5301	3076	3712	0	0	2930	9310	9888	0	2706	9877	7985	7545	3914	10624	7109	4709	5201	3886	4750	8257	8832	11663	10536	8398	10598	9078	10199	3997	12350	10067	7644	2251	0	0	0	5701	11074	0	7750	8909	6017	7705	1334	0	2371	731	771	8673	0	3819	8517	5307	0	896	2637	1429	2353	12806	0	7193	12146	6945	8050	7007	12896	10604	0	4289	6693	7646	5681	3608	3246	5606	1121	829	6461	3666	3026	21834	16059	5821	15139	5983	10370	0	8292	7345	0	0	0	9672	5590	6915	0	8113	1284	0	4572	0	Peptide	0.2	1.5333333	0.2
0	C13 H27 O6 N1	294.1911	294.19174	0.068076916	294.19113	0	0	0	0	9454	17931	0	0	1011	0	0	0	4180	8006	0	0	0	4998	1532	0	12554	0	0	0	0	0	0	694	1516	0	0	0	739	3141	0	0	0	0	867	0	5563	57831	0	0	0	0	0	0	0	0	0	0	28151	0	780	1395	11113	0	0	63734	0	0	0	0	4089	0	115787	1224	0	0	0	2127	2755	0	0	0	0	0	0	1351	0	0	0	0	1041	2440	0	0	1715	0	0	0	0	0	0	0	0	2116	1006	0	1063	0	0	0	0	0	4121	0	0	3155	Lipid	0.46153846	2.0769231	0.07692308
6	C17 H24 N3 Na1	294.19406	294.1947	0.5665507	294.19424	987	0	0	0	0	0	6001	0	0	0	29921	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20302	40063	15120	0	0	0	0	0	0	0	0	0	1563	0	0	0	0	0	0	0	0	0	0	0	0	709	0	0	0	0	0	0	0	0	0	0	0	0	0	42260	0	0	1429	35955	0	6932	0	0	0	0	0	0	0	0	8278	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1273	0	0	0	0	0	0	0	0	0	0	0	1012	0	Unclassified	0.0	1.4117647	0.1764706
8	C17 H27 O3 N1	294.20636	294.20685	0.16669835	294.20642	43590	48906	41163	42869	17262	12717	48856	54209	11704	58360	31560	27219	13019	10579	28264	73766	31891	16037	32465	67538	67534	42040	31164	51658	42560	37182	65896	27832	44589	38679	43514	47420	50169	37389	72451	42203	54764	27716	46200	43950	19128	16396	849	461	729	32775	27889	500	62382	51451	38961	42064	19712	872	10690	7263	9128	77145	0	4042	60027	20889	11826	10031	9373	16881	19159	49032	26466	63246	53023	50725	41683	35542	38648	41401	675	30291	34903	29810	20841	3178	3149	39070	7807	6643	76549	16376	22450	121518	84846	14656	89154	32307	61786	370	41351	35729	9439	8352	10832	46437	27307	34136	8781	49380	9985	516	39577	14019	Lipid	0.1764706	1.5882353	0.05882353
6	C17 H27 O3 N1	294.20636	294.20688	0.1347412	294.20642	95344	102426	90377	96962	18112	25112	95235	133294	10576	90035	38952	65159	13231	13901	73420	177732	54752	19846	34324	107153	101124	84115	64286	111032	167868	46613	115025	33367	86608	101114	113897	127220	130407	99779	111962	88790	131433	71085	84131	62024	28813	30619	812	368	561	51655	50225	349	146012	107571	100689	89523	22685	728	15283	6124	15155	207207	752	2170	160603	30212	10001	13593	15616	23541	41480	104145	34198	81266	69989	113641	97424	102166	95209	105296	494	60417	78688	48574	37227	6843	7932	54706	8661	14126	615386	27137	32279	605367	137651	27733	207598	51276	109841	349	90646	78695	10677	6964	9730	112460	61604	72788	17952	113237	10142	0	180747	15377	Lipid	0.1764706	1.5882353	0.05882353
16	C17 H27 O3 N1	294.20636	294.2068	0.19998442	294.20642	10877	11147	10442	8473	5781	4157	6868	14825	4097	7646	6713	11901	25078	6848	9139	17572	17050	3551	5106	8403	6336	9918	4818	10513	10577	15136	10369	11419	7573	10775	7591	10482	10177	7190	7103	8654	12117	6801	14598	7606	6991	5204	1489	1031	1531	7565	9918	1418	12583	10651	12344	10919	8664	1562	4146	11783	6781	14751	2071	7072	12198	4660	3976	5756	3940	15045	6362	14558	15072	7975	14448	7953	9620	12111	12511	8837	1193	9417	9657	9966	5510	1926	2401	7185	4189	3735	23033	6547	7875	57298	23845	9030	0	10262	11226	826	11396	8683	5771	18475	20879	9438	8404	4639	0	13213	6146	1285	11396	4730	Lipid	0.1764706	1.5882353	0.05882353
4	C17 H27 O3 N1	294.20636	294.2069	0.016059274	294.20636	97715	108404	99326	96065	10112	20785	67719	234779	7913	100899	39005	90440	7457	6593	90696	219308	107678	19395	31592	136257	122295	139746	73538	222146	151787	51392	81727	40679	150131	139414	172458	155913	153006	143308	125677	171808	154255	75134	111114	100717	62210	29460	0	0	0	70288	59608	0	202405	200971	106567	83362	20940	0	12252	4852	13245	211848	1956	2531	206302	46383	6236	10496	15328	15786	34722	125707	42410	82588	94659	186465	143624	212835	125227	134096	471	110833	87383	60411	64488	11129	17331	71940	10317	14771	139063	33118	41231	226592	176319	60544	321263	70960	153254	423	93923	112384	7270	4231	6658	129981	79757	145498	24384	151263	7014	0	106516	8194	Lipid	0.1764706	1.5882353	0.05882353
20	C17 H27 O3 N1	294.20636	294.20676	0.2015586	294.20642	27208	29218	29536	28158	33071	14430	20193	23527	10196	23957	24313	21991	8644	17845	11658	56944	53329	15855	16460	39468	37323	22024	8054	36816	14948	89091	19326	23022	29133	28590	16394	64871	27765	27896	22150	30984	26332	15498	51735	30566	48270	26071	15367	1656	2149	26806	42625	2367	33330	24873	27525	25613	29827	4002	6108	8442	13304	38313	9887	34093	34764	16694	6905	7056	13318	14030	19364	51605	57236	51503	77912	21659	29517	34259	36402	30137	2415	15396	19102	35529	8898	16514	18124	19167	10701	9780	33890	27607	15837	86979	58724	37176	39530	27121	38815	1423	32480	26841	16751	9544	17677	31466	18664	30613	16088	31059	18647	1589	19031	15298	Lipid	0.1764706	1.5882353	0.05882353
10	C17 H27 O3 N1	294.20636	294.20682	0.20521879	294.20642	36004	31520	32234	34557	11638	10631	91656	50104	5528	32223	19840	32027	7929	8694	24833	69742	24002	9067	15174	57408	52373	40280	18303	50678	35413	31100	154147	20828	32895	29209	30336	31643	33927	24874	39391	30276	36435	20815	31204	42401	18766	11858	1517	887	858	25627	31874	798	38726	30050	38141	36327	10803	1211	4907	4407	5740	69510	0	2828	53878	14822	5814	6326	7856	10230	13374	35038	21348	42000	40161	32895	29398	35070	24570	32737	1326	40229	26871	40556	14493	2856	1498	29697	5610	5718	60709	10928	10452	213030	88094	9800	126582	38729	66826	547	33369	34075	6440	4022	4026	33798	38020	23420	0	52661	4481	932	24733	6555	Lipid	0.1764706	1.5882353	0.05882353
14	C17 H27 O3 N1	294.20636	294.2068	0.13568583	294.20642	10029	12000	4859	8646	6909	5036	6074	12322	2822	12164	7848	4212	3048	4388	4061	14670	11358	2020	8491	16942	15588	16095	9627	13164	6958	16158	7702	0	7481	9438	10042	10301	13500	8895	10081	7550	11779	4458	7894	9083	5699	5881	0	941	974	5563	5762	780	12404	10802	10175	9124	6344	1427	5474	3264	2199	17828	0	0	0	2385	4017	2126	3018	3875	6756	12060	0	16012	15667	10277	9413	8361	9614	8054	1371	6076	11324	0	6562	1314	0	7823	4992	3537	40928	3272	4133	67572	25394	7637	34732	9416	12725	905	10154	7642	2356	5492	5384	10545	5269	5021	0	13765	3475	1146	9306	3696	Lipid	0.1764706	1.5882353	0.05882353
22	C17 H27 O3 N1	294.20636	294.20676	0.18905154	294.20642	30770	30195	27876	30155	28669	27044	20341	28321	11408	45614	41224	19663	11644	17414	23328	49177	46923	24309	20552	47218	54788	36668	16421	29320	25295	64763	25936	41111	32276	37250	22857	46551	41107	34500	48515	36794	37048	20743	49927	30804	46182	23907	7114	3987	3234	33617	55188	3242	40411	37610	25776	28246	22805	7685	10302	10500	14108	43170	26944	44070	36756	21243	14455	9167	12865	27799	28609	49337	41539	39835	58007	25294	24754	31464	42914	35682	3528	20384	17238	43883	12268	31240	37845	28273	13986	15036	37592	27142	24492	58477	61262	62067	40669	32287	61277	2626	27119	37358	18006	10075	13091	45712	21299	45695	27442	36377	20066	0	25425	16620	Lipid	0.1764706	1.5882353	0.05882353
18	C17 H27 O3 N1	294.20636	294.20676	0.18785574	294.20642	22127	24757	24887	24861	160112	65197	19954	15356	15844	12709	16577	10406	19251	633771	6316	24843	48075	35381	49844	15428	13128	12307	4604	18356	8730	26335	20159	10582	12383	17932	18556	22802	20027	21684	9601	17195	14449	8983	49250	12551	21473	83670	4162	1232	1440	9785	17906	1419	26387	14282	29634	25730	147171	2234	10159	60676	74240	21238	8583	31259	25252	8370	5133	9716	75423	29422	70196	65732	16023	12722	28029	11475	13930	11971	24882	15642	1859	6135	9824	23523	3986	7170	12544	13165	36355	30141	21089	53805	29120	47649	30262	17172	15060	7932	16880	1143	24212	22062	34271	16864	22496	18100	10158	11583	6382	19222	54266	1276	11779	7395	Lipid	0.1764706	1.5882353	0.05882353
2	C17 H27 O3 N1	294.20636	294.20694	0.09259571	294.2064	35316	35699	32500	30920	2020	0	29236	86166	1891	30746	13622	27448	1928	1921	34408	92592	42387	4301	8130	43057	36848	35388	23744	77047	47125	10997	36319	12276	62677	65171	54934	64920	47785	52595	26567	71296	51258	23511	48108	38864	22555	8010	345	400	440	21884	20853	332	78026	74032	33026	33141	4599	432	2434	1196	4976	77144	1967	2962	68395	16787	1502	3417	4248	4195	10371	48769	10130	15309	14496	54423	58101	80218	60298	56451	602	31711	24720	24946	21769	5978	10082	27862	2554	5619	27383	10012	12019	73288	68803	29370	100602	25102	67766	0	35985	40891	3505	1578	2244	47977	22134	72340	9477	51911	2309	0	30325	1224	Lipid	0.1764706	1.5882353	0.05882353
24	C17 H27 O3 N1	294.20636	294.20673	0.20235837	294.20642	206092	198586	216371	214220	117506	39535	5825680	109155	27651	113637	75173	47151	61666	44653	47531	97601	167746	75006	84054	99187	90911	92664	38493	92217	58821	2052592	4655184	297783	431841	102045	78713	86242	114640	44648	77955	109557	88351	72484	124016	46269	129052	257223	63461	14391	46593	98136	236472	20465	109713	123142	209717	205177	90171	162165	22256	20480	20686	75740	45372	178696	116309	33395	50664	29248	35074	81620	199289	160783	45471	34097	86566	76904	66581	95945	77265	103609	52594	36416	54689	72223	39894	64600	671886	929533	35584	42868	68497	96910	81431	134392	110570	99133	154910	57106	98008	48274	206074	233774	34979	24522	29827	129342	26787	82074	44014	175998	42685	18634	77051	72213	Lipid	0.1764706	1.5882353	0.05882353
12	C16 H27 O2 N3	294.2176	294.218	0.17801343	294.21765	2182	2916	2575	1669	7630	7201	0	3287	0	2264	0	0	0	10548	0	4743	0	1436	1781	0	1824	0	1294	3519	3084	0	0	0	2521	2102	2654	1976	3507	1860	0	1962	2093	1026	0	3469	0	2667	0	0	0	0	0	0	2184	2050	2568	1626	7831	0	0	0	0	3138	0	0	0	0	0	0	707	1285	3961	0	0	29328	29978	0	0	1873	1512	1774	0	2439	1467	0	0	0	0	2103	0	0	1347	1689	1692	4410	0	0	4251	0	0	0	0	0	11760	0	0	1535	1396	0	0	2950	5718	0	0	0	Peptide	0.125	1.6875	0.1875
10	C16 H27 O2 N3	294.2176	294.2181	0.17984533	294.21765	1495	1169	0	0	0	7917	1178	1200	0	0	0	1213	0	0	1077	2125	2350	0	0	0	0	0	0	2023	1328	40328	0	3476	1691	1565	1416	1517	2035	1564	0	1394	0	0	1511	0	0	978	0	0	0	0	0	0	1195	1350	0	0	0	0	0	0	0	4434	0	0	0	1265	0	0	0	0	959	3748	17189	0	0	1398	1500	952	0	1138	0	0	1367	0	0	0	0	0	0	0	951	0	911	4303	0	0	2689	0	0	0	0	0	0	0	0	0	0	0	0	1625	0	0	836	0	Peptide	0.125	1.6875	0.1875
8	C18 H31 O2 N1	294.24277	294.24326	0.176337	294.2428	5417	7526	5329	10218	0	2842	6816	20845	0	2877	2151	11422	0	0	7773	25175	13030	0	1198	7945	5793	4060	6032	15674	7339	864	13803	3904	14086	17885	14564	14475	10418	16085	4168	18396	9335	7749	11319	8020	772	1897	0	0	0	4559	3244	0	16797	21829	7731	6717	757	0	0	0	1125	15864	0	0	18527	2806	0	0	0	0	2620	15237	0	1686	0	16853	12993	16049	18552	14007	0	9992	7873	4306	5326	0	0	6595	0	0	6467	2175	3906	35554	0	0	23584	3470	8453	0	9211	7525	0	0	0	9102	8181	5708	0	12502	0	0	8402	0	Lipid	0.11111111	1.7222222	0.055555556
24	C18 H31 O2 N1	294.24277	294.2431	0.19842716	294.24283	164378	172397	171685	175290	116580	1026890	4880	106094	11385	746589	5927	8580	180110	244187	8890	223816	124105	242192	122908	104682	186679	34303	9464	65125	1551	4678	2346	8892	88403	369075	131974	395191	930159	81266	140770	219646	123640	7619	52128	242150	286105	565587	53403	13762	8104	492036	608310	2240	1135057	1137603	174594	154515	29505	166032	4261	13003	25123	131458	5161	2565883	117088	4269	490879	5976	6352	713620	30991	436910	11851	14940	38970	110861	17998	53951	111287	729539	27515	4285	2363	10526	3402	6303	2359	10576	2179	0	6013	401595	54709	168312	347096	16970	443848	3953	764952	16265	176789	178569	37936	2328	2136	42570	9198	35473	10144	24396	3325	2107	3146	1897304	Lipid	0.11111111	1.7222222	0.055555556
28	C18 H31 O2 N1	294.24277	294.2431	0.19640791	294.24283	5134	3724	4097	5832	2538	18493	1222	3616	0	15659	0	1049	7148	5830	0	7488	2765	6135	4005	3869	4680	0	0	0	0	0	0	0	2552	9103	3314	5930	17921	2491	3305	6769	3841	958	1500	2073	6870	13374	1402	0	0	9110	13236	0	21734	44261	5227	2718	1171	0	0	0	903	2289	0	71926	2344	0	16116	0	0	26558	1068	8572	0	906	0	2486	1278	0	0	13636	0	0	0	0	0	0	0	0	0	0	0	13573	1653	2944	7318	0	12776	0	16169	0	4505	5939	1547	0	0	1797	0	0	0	987	0	0	0	55393	Lipid	0.11111111	1.7222222	0.055555556
14	C18 H31 O2 N1	294.24277	294.24316	0.12068151	294.2428	24446	23590	24048	26379	0	4205	20520	25522	0	9407	7771	15116	0	0	6529	178958	33753	0	2303	8662	5120	5238	12066	104185	30173	2454	39977	0	24307	29049	21274	33187	118359	31618	5186	37107	119917	12062	12886	9642	0	3874	0	0	0	28157	27045	0	38707	23204	23165	27477	1364	3209	0	0	3200	175585	0	0	69398	0	0	2037	3671	0	4782	81613	0	5951	4190	19536	20395	15695	54880	35249	0	8622	18953	0	22555	0	0	7135	0	0	16387	9623	7415	226622	41654	0	181064	8681	20859	0	17826	16280	0	0	0	98499	11621	3142	0	135141	0	0	35171	0	Lipid	0.11111111	1.7222222	0.055555556
6	C18 H31 O2 N1	294.24277	294.24326	0.14291832	294.2428	2499	2324	1782	2447	0	0	3118	3675	0	1061	0	1870	0	0	2301	5901	2725	0	0	1986	881	966	0	5228	5239	2014	4173	0	2302	2673	3731	3176	1683	2865	1265	2883	1553	1735	3150	0	0	0	0	0	0	0	0	0	3599	4838	2744	1596	0	0	0	0	0	5985	0	0	5618	0	0	0	0	0	710	3772	1807	1785	2201	3162	2014	3861	4314	2410	0	1470	2387	0	2018	0	0	0	0	0	6159	0	0	31600	0	0	7032	849	3338	0	2406	2364	0	0	0	1835	1536	1973	0	3105	0	0	4441	0	Lipid	0.11111111	1.7222222	0.055555556
12	C18 H31 O2 N1	294.24277	294.24316	0.18514937	294.2428	1942	4572	3590	2840	0	0	2339	8972	0	1984	0	2576	0	0	2023	15765	3552	0	0	3972	2507	0	3910	11431	7368	2464	7015	0	2756	4335	4602	7671	5246	5207	3408	3971	5314	2585	2275	9024	0	1763	0	0	0	0	0	0	4862	5922	2858	4205	1100	0	0	0	0	11168	0	0	0	0	0	0	1349	0	890	6116	0	3567	1542	6716	3262	3410	5533	4239	0	3519	3033	0	3014	0	0	6059	0	0	6913	0	1221	31507	8473	0	37323	2649	5584	0	3353	3469	0	0	0	3352	2950	0	0	12632	0	0	3903	0	Lipid	0.11111111	1.7222222	0.055555556
22	C18 H31 O2 N1	294.24277	294.24313	0.18166734	294.2428	70243	72206	65532	72171	36576	175470	0	24684	2231	220454	2264	2798	45583	58701	1470	128381	94632	51242	26492	22477	51954	11230	2539	18889	0	2769	0	0	18081	104363	31266	86217	188101	29684	53398	68915	30971	3766	35264	52585	218875	147014	26787	8638	5737	122178	497790	0	342632	538971	61514	57993	8187	113355	0	4013	9469	25248	3277	1923137	43283	1832	137111	0	3389	218694	6405	347917	7852	2462	32503	27989	5285	12872	99687	270550	14164	3140	0	2900	0	0	0	3150	0	0	1398	192317	15025	134541	103360	4652	167651	0	424478	14086	60051	70576	14982	1259	0	8801	2151	8535	2592	7368	0	0	0	513987	Lipid	0.11111111	1.7222222	0.055555556
10	C18 H31 O2 N1	294.24277	294.2432	0.16161348	294.2428	11884	9636	9381	9925	9759	3632	8396	18038	6902	4034	2497	7425	1146	1580	5747	26924	6404	3542	9974	7161	4715	7102	5773	19746	17613	0	17189	3271	9294	7119	9994	8794	11219	8455	4084	7882	15923	4304	5109	12294	0	6039	0	0	0	12655	34683	0	14862	15208	11326	11828	9759	0	1870	1927	4013	25872	0	0	25091	1383	0	2455	3118	2618	4531	15128	0	0	0	10991	6286	7223	8015	6678	0	8541	13542	0	8151	0	0	7890	2250	904	16302	8441	5599	100061	28590	0	103171	4233	12525	0	10924	11032	12673	0	1008	9632	6747	4529	0	28662	9016	0	14514	0	Lipid	0.11111111	1.7222222	0.055555556
10	C12 H10 O5 N2 S1	295.03833	295.03888	0.38934702	295.03842	6338	6857	5745	4603	3087	7413	3629	7415	3610	1491	1358	5412	1995	1647	1336	16175	25237	6574	7705	0	1522	5710	3155	15082	4562	0	5138	0	9229	5864	4846	14100	10486	2631	2215	11458	11772	3169	29116	1397	4114	8100	0	0	0	0	1725	0	12008	4462	5544	7253	7001	0	1760	687	1614	15680	0	2033	18489	1330	1688	2674	2384	5968	6219	26902	0	0	1415	1097	3584	4201	21210	10447	0	1846	5345	0	4062	865	0	0	2937	2761	9296	13102	14665	17349	0	0	14943	3154	1251	0	8872	5248	0	1360	1186	9175	2426	0	0	12026	2477	0	4874	4750	Organosulfur	0.41666666	0.8333333	0.16666667
10	C13 H10 O8	295.04483	295.04535	0.3026372	295.04492	16730	15384	13017	13667	58720	26782	3865	2645	66426	6009	6859	6714	94556	22398	6853	6356	5265	55758	56064	4773	5602	11363	13862	3406	1079	0	3090	0	1696	1930	2301	1175	11077	1722	6547	3269	8022	6709	4553	3134	3924	15165	999	0	458	2037	2851	913	2882	2293	15366	14456	36995	578	58356	56022	19288	6630	0	3771	0	2444	102880	70391	19071	77516	18044	5791	0	0	0	3277	2617	0	4846	2059	0	4568	12297	5309	9555	1902	0	0	65821	19882	15101	24078	25478	3866	0	2035	5592	12694	7839	584	11640	15966	44802	79396	63180	8147	6887	0	0	4350	41492	0	2300	103243	Phytochemical	0.61538464	0.7692308	0.0
12	C13 H10 O8	295.04483	295.04532	0.26675358	295.04492	23902	25943	24432	25069	70956	34608	6895	5424	69716	5529	10287	12041	101338	31981	12433	15191	9428	85150	90110	5958	9182	20967	25194	9308	2652	0	6821	0	7492	7278	7664	6306	14273	8323	6782	5478	17721	17016	12388	2114	0	28929	1232	367	758	4968	8499	1605	8073	6869	21182	26821	46564	690	67759	54230	30672	11260	0	0	0	1762	148270	78064	25478	103856	35876	11902	0	0	3913	5459	6543	4310	11792	6540	504	12818	25732	0	20455	4199	1566	0	77669	30000	27534	34789	38675	23297	4590	8492	13058	16524	8063	857	31384	25071	46804	76743	77531	20712	14410	3158	0	11294	48759	665	6288	147818	Phytochemical	0.61538464	0.7692308	0.0
18	C13 H10 O8	295.04483	295.0453	0.3104711	295.04492	10706	10868	10537	8652	35558	33274	6496	3643	29876	3184	2418	5940	50230	32831	11863	8483	4934	46923	37973	0	2653	4910	13299	7108	4671	0	4944	0	5530	3727	9982	9085	10619	7442	3553	5516	10725	12269	2702	0	0	16596	2416	1114	2108	1997	2250	2903	5955	2361	11789	11316	28029	1117	28466	22341	14047	9177	1536	1872	9970	1257	55023	30535	14451	48581	24525	5007	0	0	1831	5695	5717	4126	3898	4609	1538	7906	16246	4541	10585	1416	0	1319	37976	25322	14254	18685	24961	5861	0	0	5805	4199	2987	2248	9814	7246	26894	30815	32975	12026	5443	3553	0	5527	16255	1615	4566	50136	Phytochemical	0.61538464	0.7692308	0.0
6	C13 H10 O8	295.04483	295.04544	0.3487148	295.04495	4153	3879	2416	2739	15266	3885	0	0	13372	1041	859	891	23770	3381	0	980	1261	11365	13439	869	1623	2174	1737	1335	0	0	0	0	0	1111	0	0	1236	0	2557	0	1767	1281	0	0	832	3684	0	0	0	0	0	346	0	0	3294	3130	7220	274	13518	17325	6813	0	0	857	1164	0	31045	15442	4581	19856	4740	0	0	0	0	0	0	0	0	0	194	789	1911	0	2326	537	0	0	15083	4787	2045	6246	4825	977	0	0	0	2320	1594	0	3053	3486	9604	29094	23017	1917	980	0	0	1182	12161	0	0	29944	Phytochemical	0.61538464	0.7692308	0.0
22	C13 H10 O8	295.04483	295.04526	0.28153	295.04492	4678	2482	3498	2706	18414	7404	2912	0	15607	0	0	3278	17590	11164	2531	2283	1911	21895	15578	0	0	3208	5898	2333	1830	0	2981	0	0	0	1736	0	1493	0	4009	0	4127	3167	0	0	2149	4344	0	0	2293	0	4109	2883	0	2479	3523	3480	9360	1358	13337	7483	6381	2539	0	0	0	0	22353	16503	4698	18405	6378	2177	0	0	0	0	1427	0	0	1079	2246	1296	6455	3466	10749	0	0	0	18553	7140	8293	4407	6018	2887	0	0	2481	0	2355	0	1497	3798	7732	15074	11750	2656	0	1671	2044	1782	6094	0	3544	26877	Phytochemical	0.61538464	0.7692308	0.0
8	C13 H10 O8	295.04483	295.04535	0.29221773	295.04492	9864	11412	8831	9576	36017	12789	0	1100	40188	2517	3420	2898	67369	12532	1746	2254	3090	28462	36154	2619	5688	8203	6116	0	0	0	1749	0	836	0	1687	1726	5269	1414	6094	0	3197	3064	2713	1695	3054	9260	591	0	421	1725	2911	477	1109	1029	9947	10643	19381	0	35690	42454	13912	3115	1284	2149	0	1181	72906	45894	11611	45111	13228	4097	0	0	0	0	0	0	1347	1573	262	1393	6500	0	4718	1660	680	0	38313	8228	4319	15312	14349	3305	0	0	3011	9324	2200	0	8797	8558	28591	65774	49710	4476	3325	0	0	1906	33245	0	1958	71931	Phytochemical	0.61538464	0.7692308	0.0
20	C13 H10 O8	295.04483	295.04523	0.265698	295.04492	5632	8356	4176	2378	21526	12647	4533	3395	16884	0	2481	6138	29584	16985	2730	3207	0	23877	25952	0	0	2464	6143	2445	2076	0	2224	0	5351	3600	4291	1468	3001	2298	0	1425	3739	3516	1906	0	0	4887	1918	1636	1968	2023	0	3767	5179	2217	5330	7171	17268	1029	18568	12360	10187	0	0	0	3375	0	33142	20161	8880	25025	8453	0	0	0	0	2637	0	1356	2993	2397	2140	2988	12411	2438	12482	0	1107	0	26731	12613	9497	6772	10523	3113	0	3349	0	3849	3443	3269	5705	3810	12948	22423	22924	5261	2123	0	1819	0	12590	1478	3960	36521	Phytochemical	0.61538464	0.7692308	0.0
16	C13 H10 O8	295.04483	295.0453	0.25725064	295.04492	20144	17675	17117	19983	49365	43701	11253	6334	46988	4816	4580	18199	74996	39597	15072	14804	13520	87375	73920	2012	2933	8142	32794	12404	7005	0	12765	0	8885	11647	13696	13273	21484	16941	6295	11491	26487	21354	14626	1952	2704	30524	2020	1268	2158	3180	0	2241	13471	7503	22153	23024	43527	869	41912	36555	28602	23668	1928	2009	14586	1112	92595	54112	26390	79085	41800	14268	0	0	0	14638	11765	6628	14319	7881	1767	13670	28176	8743	20227	1557	0	0	52937	28002	25645	37306	43798	0	3789	7857	0	7647	5118	2117	19955	19294	29168	50914	51323	21496	16379	2431	0	14909	32603	1684	10908	102319	Phytochemical	0.61538464	0.7692308	0.0
14	C13 H10 O8	295.04483	295.04532	0.31484944	295.04492	23281	20470	16712	22242	62179	43635	9420	6855	56005	2701	7795	15777	113085	41279	16527	7687	14722	96329	81376	3308	5834	14112	26007	8147	4816	0	13617	0	9036	9244	8597	8923	18051	6076	9864	8703	12826	15548	11993	2601	0	30395	0	679	1183	5266	5846	1478	11940	3884	19852	17542	48031	556	58970	48511	31181	13431	0	0	18646	2215	119736	74126	31432	95760	35478	13254	0	1969	0	4716	7328	3012	11686	6271	921	13474	33880	0	20319	3618	1865	901	66925	34610	29842	40640	40842	8775	4082	4893	7714	11874	6848	1227	25754	19160	35392	69240	75593	14578	14340	3459	0	11247	41035	943	10181	109015	Phytochemical	0.61538464	0.7692308	0.0
22	C11 H10 O4 N4 S1	295.04956	295.04993	0.25499216	295.04962	3746	4064	2606	4424	1290	1320	3561	3758	0	0	0	5174	0	0	5070	8520	6211	4009	0	0	0	3809	8430	13349	6774	0	2045	0	1584	3917	0	0	3945	2751	0	1603	3046	5867	8049	0	0	1337	0	0	0	2314	0	0	3775	5098	4446	3524	1530	0	0	0	1096	2721	0	0	6020	0	0	0	0	0	1572	11865	0	0	0	2275	0	3160	2548	0	0	4756	12713	0	13437	1077	0	0	0	0	13292	5412	2050	28811	0	0	17707	0	0	0	3335	2846	0	0	0	5150	6473	0	0	9798	0	0	10992	0	Peptide	0.36363637	0.90909094	0.36363637
12	C12 H10 O7 N2	295.0561	295.05658	0.37197122	295.05618	2973	2412	5464	2238	6691	3374	0	1623	6516	2220	0	3025	7379	0	1552	4051	6640	6863	10113	0	0	6334	3685	2687	0	0	0	0	1276	1242	0	0	4531	1712	1704	1292	2371	2120	4629	1334	0	6504	0	0	0	0	0	0	1739	0	3012	4912	4629	0	9116	4171	4414	2884	0	0	0	2955	16531	9058	2840	9652	5746	4380	0	0	0	1535	1167	0	2755	0	0	1644	1249	0	2598	0	0	0	3817	2675	2965	7265	4336	12907	0	0	6107	0	1269	0	6918	0	4242	5875	2824	4844	2458	0	0	3701	3985	0	2335	21366	Unclassified	0.5833333	0.8333333	0.16666667
10	C12 H10 O7 N2	295.0561	295.05658	0.394106	295.05618	2848	2280	2884	4556	7230	3412	1209	0	8948	0	1818	3202	13359	3570	1307	2936	3196	8928	9254	0	1407	2993	3809	2162	0	0	0	0	0	0	0	1139	2090	1408	1494	0	2134	2031	3520	1301	4447	3542	0	0	0	0	1812	0	1703	1368	2613	2059	6157	0	9923	6252	4324	1371	0	1842	0	1102	16833	12614	2092	11359	5614	3658	0	0	0	0	1063	0	1464	1302	0	2847	1791	0	1856	0	0	0	6512	2354	0	9042	5104	6609	0	1578	6149	1371	0	0	4928	3146	3793	7323	6168	4257	2403	0	0	6205	4731	0	1069	21088	Unclassified	0.5833333	0.8333333	0.16666667
22	C17 H10 O5	295.0601	295.0605	0.2806924	295.06018	1459	3109	1921	3485	4718	64216	2421	1257	4379	3050	2074	2038	1919	0	2102	2856	2948	7965	5978	0	0	5072	2570	2629	1451	2030	2436	1295	2394	2168	1218	0	1903	0	4281	0	3956	2415	3387	1384	1723	6414	0	0	0	1511	2120	0	2224	0	3804	2426	4255	385	4020	2182	2747	1793	0	1418	2990	0	3023	4285	2295	4991	5315	2140	3405	0	0	2179	997	0	0	1636	553	1458	6014	3029	5536	1995	1526	1485	4363	3053	5866	5448	5630	3511	0	2935	0	3807	3664	0	2597	3105	3499	6567	4490	2162	1753	3857	0	1448	3566	0	2976	4716	Phytochemical	0.29411766	0.5882353	0.0
20	C14 H14 O5 S1	295.06348	295.0639	0.2950908	295.06357	7629	8830	6357	6522	17360	11174	4207	0	8706	18709	11730	1357	20147	8532	4359	6005	3469	27245	15247	12124	14812	24086	4960	3819	3630	9485	2179	12739	2815	2170	0	2412	5770	2910	21098	1728	8633	1862	4403	16200	14505	8975	650	0	0	8496	5827	0	2147	2087	6357	6584	10179	264	13271	8362	6269	6259	7674	6208	2714	11856	10091	8596	5424	16256	11915	3825	7426	7452	8668	0	1374	0	1584	1731	331	1845	3745	19636	2606	6901	5305	12461	7856	6925	8924	10198	10694	4034	24758	28792	4517	16905	22127	642	10843	9847	10707	10788	7132	5302	1664	8178	5120	4891	9504	0	5833	22363	Organosulfur	0.35714287	1.0	0.0
6	C5 H15 O5 N6 S1 Na1	295.0795	295.0795	-0.43917182	295.07938	2047	1286	1633	1689	3733	2456	0	0	3316	2554	2420	2081	2633	2787	908	3113	0	3014	2897	1147	1055	0	604	0	0	0	1814	0	0	878	1192	1328	1916	1157	1586	0	890	818	1654	0	1828	1544	0	0	0	0	0	0	0	1010	1924	1929	3333	0	2393	2963	2465	0	2723	1482	0	1519	4778	3704	1517	3754	4467	1380	0	0	0	1116	870	957	100739	536	0	1399	1952	0	1391	741	977	0	2625	1749	1069	2252	3238	0	0	0	0	961	1954	0	2152	2075	3753	4506	3551	984	813	1765	0	0	5658	0	577	4593	Organosulfur	1.0	3.0	1.2
22	C14 H14 O7	295.08124	295.0816	0.24267788	295.0813	28290	21271	11569	21561	42767	22977	10627	15680	38946	14671	10633	13310	44238	24838	20782	12878	11248	54672	34766	13001	16394	25707	23175	13283	16107	5259	11346	6616	12941	11885	13683	17585	24508	10362	26384	11348	23702	15312	14318	11382	10905	16334	3736	4647	8505	14704	16660	6968	13387	12344	18211	19602	30670	5203	50882	35710	24283	18359	9213	8619	14454	10057	63694	47555	17905	51167	21271	15029	8757	5645	10120	14835	13338	10856	11653	12028	6715	14436	25644	13473	24152	12471	10765	8110	46694	23858	24816	19469	19700	20161	16189	13598	15779	14305	12567	7751	17280	18744	29214	50644	39141	17053	17876	10132	9933	14752	26402	5231	14065	64948	Phytochemical	0.5	1.0	0.0
2	C12 H14 O3 N4 S1	295.08594	295.08655	0.24679552	295.086	6340	6477	5405	5672	11516	0	14959	10214	3059	363	1703	14135	8607	27971	10358	11082	28834	6240	5011	0	801	3977	21179	36404	15224	0	3950	0	4670	4113	6297	4832	15240	9504	592	4353	8965	9462	27676	0	419	4847	0	0	0	8735	1503	0	5610	7703	6055	5409	7378	0	2237	4960	3513	10368	0	0	11474	0	4334	2544	3577	8711	6705	35159	0	1475	921	0	2639	1366	7520	2397	0	9739	33027	1947	37980	1440	0	0	6146	3934	24915	12866	4650	61451	0	0	27867	451	0	0	6063	6294	4727	9562	11017	6715	7140	0	1223	22053	9411	0	33369	4212	Peptide	0.25	1.1666666	0.33333334
8	C12 H14 O3 N4 S1	295.08594	295.08636	0.18713188	295.086	1828	2571	1796	2049	0	1709	1998	2761	1088	0	0	4363	0	0	0	6383	5120	1003	1145	0	0	5974	2014	8130	1761	0	3395	0	2628	1784	2449	2350	3603	1759	0	1563	5055	2488	7526	0	0	1666	0	0	0	0	0	0	3427	3366	2401	1505	1985	0	1336	0	1408	3433	0	0	0	0	0	1383	0	1220	1786	7601	0	0	0	2058	2156	0	4040	2331	0	2357	3282	0	4249	0	0	0	0	0	2983	2284	1743	21937	0	0	12439	0	0	0	2534	2914	1447	588	0	3576	2089	0	0	6670	0	0	4503	1135	Peptide	0.25	1.1666666	0.33333334
20	C8 H14 O8 N4	295.08844	295.08868	-0.40120748	295.08832	0	0	1927	0	21860	2615	0	0	3021	0	0	0	0	3799	0	0	3492	0	0	0	0	0	0	0	0	2110	0	0	0	0	0	3368	0	0	0	0	0	0	0	0	0	1603	1913	0	0	0	1658	0	0	0	0	0	11192	4612	0	0	0	0	3161	6642	0	0	0	0	0	0	1292	1694	2669	2172	3044	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1856	0	0	0	0	0	0	24555	0	0	0	0	5277	11015	0	13081	0	0	0	Peptide	1.0	1.75	0.5
18	C13 H14 O6 N2	295.09247	295.09286	0.2947567	295.09256	8602	8818	7447	7978	6574	8785	4636	8834	6335	0	4154	7998	8558	2527	9304	15540	17968	11044	10122	1966	3228	12600	10456	12110	7774	0	7863	2615	6429	5239	6326	8236	14439	8808	2887	6137	11026	8853	21027	2479	7728	7879	1040	716	975	3872	1987	791	12860	6871	9063	8119	8568	758	4556	2143	7161	14980	4628	3655	14527	2399	4330	4541	6098	7833	12022	17897	0	0	0	7167	5145	2456	7699	6460	730	5416	17185	6095	10155	2955	4305	0	3860	4055	18830	13512	9131	35181	7385	4739	18692	5062	3927	1254	8320	8564	2308	2902	2377	7261	6448	5415	0	13031	3873	884	13689	7400	Peptide	0.46153846	1.0769231	0.15384616
4	C13 H14 O6 N2	295.09247	295.09305	0.21641862	295.09253	62997	70424	58732	63087	70138	37012	20310	53490	89332	32854	45176	65222	93449	20730	41214	73730	144440	109238	111773	32122	56619	99421	70440	71363	18127	6602	31963	12164	35805	37606	44620	41580	76078	36650	51899	43517	68767	46051	152323	33357	60621	81360	1577	264	524	36432	49250	640	50325	50884	61559	58210	74926	587	96636	71933	63059	64195	28301	51466	73573	26008	117590	107257	57961	89669	65247	144656	20604	14624	22701	41460	33623	31848	38433	39532	305	34375	49149	17825	41271	19806	16688	10836	83637	54112	41372	126169	87601	186483	14624	30564	165732	30556	27648	1513	57328	73133	66047	89868	75563	77567	47742	42373	25968	108244	63832	604	32559	155640	Peptide	0.46153846	1.0769231	0.15384616
0	C10 H18 O6 N2 S1	295.09583	295.09647	0.1689261	295.0959	3107	0	0	1967	0	0	0	2685	644	1880	7332	0	0	0	0	0	0	0	1366	0	0	1509	0	0	0	0	0	69884	2903	0	2584	0	6254	0	0	0	0	0	0	0	0	0	0	418	626	0	0	844	2408	0	2519	0	1200	308	594	419	0	2998	0	0	0	0	0	0	0	0	4442	0	633	0	0	0	0	0	0	0	542	0	0	101649	0	780	0	0	0	0	797	0	0	0	122265	50381	1659	20738	0	780	0	0	742	614	0	0	0	0	0	1926	0	343	0	0	Peptide	0.6	1.8	0.2
2	C10 H18 O6 N2 S1	295.09583	295.0964	0.2012607	295.0959	8579	9896	5629	5638	1028	271712	576	931	837	0	1054	0	507	1130	1042	0	1924	456	1340	0	0	884	757	681	437	0	0	351878	585	3097	1885	5482	5177	0	1177	1513	1258	428	2508	538	0	15163	543	433	538	1402	443	692	1234	0	5257	6084	1281	339	857	929	728	20699	283	494	734	0	1535	402	0	564	1252	2251	959	0	481	846	797	0	0	1138	468	480	518	162692	728	1096	429	0	4674	1058	0	1843	1511	0	3891	3659	0	11089	245	1104	3518	10694	0	781	769	1240	946	306	676	965	0	344	709	550	Peptide	0.6	1.8	0.2
4	C10 H18 O6 N2 S1	295.09583	295.09625	0.45364597	295.09598	2339	1086	874	930	923	108103	763	957	617	0	0	854	471	977	746	0	0	650	0	0	0	1169	774	953	810	316	0	46718	0	585	813	0	907	0	818	786	833	575	825	0	684	669	758	364	626	0	0	614	0	0	1321	1277	474	337	765	795	643	1203	378	707	956	0	513	573	0	563	545	0	0	0	0	0	0	767	0	1097	442	475	792	3992	1030	735	638	0	0	0	709	0	1302	493	2494	2469	0	1106	0	1551	811	1359	986	1117	974	1111	1430	0	0	0	0	416	310	612	Peptide	0.6	1.8	0.2
24	C18 H14 O4	295.0965	295.09686	0.2766403	295.09656	8005	7969	5667	5694	11194	4425	3174	3082	7217	7743	16172	3409	9602	7453	4191	3817	5269	11064	15356	9743	8708	14237	7829	5655	4619	20259	1449	12878	3067	5003	2913	4340	4880	3025	15810	3423	5406	2942	4530	10171	16627	7620	2990	0	0	10928	7727	0	4879	3812	7297	8019	8835	0	4787	8454	4703	5346	4050	6666	5613	6545	8845	4525	3034	14740	6845	4542	17159	7295	17838	2953	3546	2838	1955	2956	0	3209	7916	10946	5643	5925	4517	8753	15277	7498	8989	5176	7910	6370	6274	4228	7409	12995	9405	2172	5115	8221	7516	10334	11713	4754	4967	7867	6700	5097	7374	0	6754	7437	Phytochemical	0.22222222	0.7777778	0.0
10	C11 H18 O9	295.10236	295.10284	0.38819644	295.10248	0	0	0	0	12686	0	0	0	2261	0	0	0	3373	16262	0	0	0	0	2459	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1129	0	0	0	0	0	0	0	0	0	0	0	1126	0	0	6848	0	0	3944	2656	0	0	0	0	0	0	1210	4493	0	0	1947	0	0	0	1961	0	0	0	0	0	879	0	0	0	0	0	0	2379	0	0	0	0	0	0	0	0	0	0	0	0	0	2601	0	0	0	0	0	0	0	20382	0	0	0	Unclassified	0.8181818	1.6363636	0.0
10	C19 H18 O1 S1	295.1151	295.1156	0.39024213	295.11523	41065	40897	41229	37655	56704	227299	39344	68425	24119	0	0	40623	32955	125632	38791	67247	47830	64943	55443	0	0	11735	26335	47074	30883	0	38933	4603	72443	56938	66688	87229	108327	117436	0	55701	84424	33091	59657	0	0	65683	14992	0	0	7053	0	0	89003	47242	36129	33571	53237	992	16401	7988	31029	83665	0	0	52057	0	30049	20050	44115	75773	93200	96854	0	6235	0	74410	42025	36525	203152	44535	0	38485	19394	0	26748	0	28210	27681	18199	33863	33695	58703	76039	27892	0	0	28897	0	0	3594	35114	34221	14781	11805	10760	89732	40148	0	0	47490	8334	0	25775	22273	Organosulfur	0.05263158	0.94736844	0.0
8	C14 H18 O5 N2	295.12885	295.1293	0.08005187	295.12888	798900	909270	757000	853884	312332	1384782	496838	802490	330418	505509	411229	548570	326818	126977	620688	2099438	920230	507036	642579	631394	602202	968799	606438	971788	484435	162058	708579	1989499	735052	746606	741332	983648	967875	786132	691378	730537	954934	569065	1158733	641312	703654	561244	6412	1187	1447	677366	635757	1415	932136	707349	795406	846168	407441	2310	492387	186124	284736	1232737	560567	616851	843218	408969	315370	396083	247280	418291	424330	1073500	229207	339079	387364	742254	711073	596300	634441	741238	870	533930	659423	2157704	518416	448134	565733	352540	259086	261340	744281	565064	539774	1270980	3720634	2985722	1368582	738135	661835	3609	840157	813337	268142	197217	207515	889413	538278	801391	263932	840036	279374	1157	573315	475702	Peptide	0.35714287	1.2857143	0.14285715
16	C14 H18 O5 N2	295.12885	295.12927	0.16331215	295.1289	55172	47768	59087	57550	57131	44168	54138	61730	54657	24515	36515	42171	50786	19515	46791	72996	68023	62452	59600	32185	32517	75777	56034	77459	58004	9159	48631	234737	69035	53048	55564	82070	109480	81960	40716	70412	114999	51610	76491	34654	44695	43768	2462	2020	1840	31653	27736	1890	86624	51291	68286	61835	65039	2046	31309	21198	28375	98610	37734	36975	71357	19554	30725	33614	25768	52669	45036	69922	9504	18383	16593	64402	56702	47687	48101	57866	1551	37929	60371	71699	42694	25368	40805	21910	24903	31900	61892	63211	49812	113142	134055	117222	136292	44188	30922	2547	60949	57690	38640	21526	23065	98597	35520	42914	15372	91276	52995	1565	54644	68950	Peptide	0.35714287	1.2857143	0.14285715
4	C14 H18 O5 N2	295.12885	295.1294	0.15089254	295.1289	414899	455601	421826	420814	253427	232107	256562	407709	287779	282119	286039	316384	293997	108036	321426	470172	656576	400553	464961	298734	328476	479965	369721	451748	224470	76817	281650	352178	336659	293388	351789	370908	489633	301019	368692	385839	459661	330791	759944	249965	370220	351422	4011	1320	1560	300553	357173	1646	413652	370232	440663	342277	305951	2025	356834	200497	238137	435596	230172	351818	432978	184573	305726	298422	176307	332365	270150	667147	129568	155157	197534	287805	299413	337287	325180	328075	805	278167	349406	1642359	327068	199882	212925	115260	249120	246029	357871	367753	373172	566951	2532772	1355772	605793	408444	312546	4555	387527	489467	226470	258114	258188	476636	312502	373669	214752	399774	269985	1821	284534	388680	Peptide	0.35714287	1.2857143	0.14285715
14	C14 H18 O5 N2	295.12885	295.12927	0.08613458	295.12888	161191	165800	153154	162537	99950	107812	160051	173464	80993	74163	55421	120103	94726	39263	146869	223981	205729	146793	143044	102992	93267	220579	137458	224871	140915	26872	144576	60948	165863	142295	156337	208081	233289	192767	121755	176394	222150	128855	237330	108159	111353	114101	0	1485	1522	115755	92586	2065	210225	158405	161320	146280	126379	1808	96489	44778	76007	260858	108615	127163	203419	62763	68797	81098	63642	119448	120658	241814	31272	51111	61115	174612	153025	131063	186786	154613	1069	130043	160427	102688	135428	70450	112711	64788	58844	69561	192879	154625	152985	387242	222441	198683	378842	100129	123365	2716	172223	142531	60628	52056	53034	206186	129842	168046	59894	242522	77346	1331	169764	123826	Peptide	0.35714287	1.2857143	0.14285715
10	C14 H18 O5 N2	295.12885	295.12927	0.05046244	295.12888	794384	678858	674311	611702	294143	331925	570865	916367	299764	396994	306215	591142	272907	122820	602038	1047330	851195	510982	552769	446543	444642	872017	615458	1046056	564493	111230	651196	671738	801551	745560	703238	838375	1041433	730401	447200	724034	948170	566931	1050140	472445	527389	441706	7748	2074	1593	511799	420342	2428	927695	725754	706910	714861	388585	3166	436323	159841	248310	1001354	531825	539708	1024245	287212	226904	314535	238139	386887	409666	1054360	170170	254966	239066	757717	661499	630093	723178	708609	1007	522679	644791	591146	576864	385945	506015	230978	207861	269821	661695	499190	502948	1171752	3385453	3086934	1356459	548589	577437	4095	726425	707119	207235	165794	183073	907273	555567	709277	284258	901698	248596	2369	652154	425410	Peptide	0.35714287	1.2857143	0.14285715
0	C14 H18 O5 N2	295.12885	295.12946	0.056847177	295.12888	24257	25321	23303	25097	22719	18136	13064	40497	24830	16868	9209	17837	29471	9847	17334	6601	27465	39248	37171	17785	37235	31523	24498	32081	12770	5638	5678	7931	38831	16555	28913	30508	49416	32257	28537	36214	41001	16162	36056	20833	18067	33873	0	1178	1167	15510	11177	730	39687	18072	24566	21241	30412	1163	28852	18174	13990	46078	14315	15952	15683	9295	33691	28879	26533	27009	40016	35452	6317	12745	9506	27803	37407	21445	4648	30142	1249	16179	16395	7934	12973	7067	10826	4159	16995	16343	18832	28898	35116	24482	18999	28057	47970	14766	6510	1303	21708	27395	14914	16081	18317	32272	11888	22234	9645	41445	20659	882	14574	49826	Peptide	0.35714287	1.2857143	0.14285715
8	C17 H19 O3 Na1	295.13046	295.1312	-0.07132316	295.13043	0	0	0	0	0	33636	0	0	0	0	0	2710	2502	0	0	3957	0	0	0	0	1178	0	0	0	895	0	0	0	0	6154	0	0	0	0	0	0	0	2426	0	0	0	0	0	0	0	0	0	0	0	1379	0	0	0	0	0	0	0	4930	0	0	0	0	950	0	0	6180	1050	0	0	0	0	0	1676	0	0	0	0	0	2847	16903	0	918	0	0	0	0	0	0	0	1370	0	0	1357	0	0	0	0	0	0	1482	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.1764706	1.117647	0.0
0	C11 H22 O5 N2 S1	295.13223	295.1325	-0.10859009	295.1322	0	0	0	0	0	0	0	0	705	0	0	0	0	0	0	0	0	0	0	0	0	1860	1541	0	52178	0	0	2196	1472	0	0	0	1682	0	982	0	0	0	0	0	0	0	0	555	794	0	0	801	0	0	0	0	0	631	0	629	0	0	0	0	0	0	0	0	845	0	0	978	706	0	0	0	0	0	0	0	665	0	0	4800	0	938	2651	0	911	1504	1090	0	0	0	4501	3323	0	0	0	779	0	0	0	1055	0	0	1823	0	0	0	0	539	0	0	Peptide	0.45454547	2.0	0.18181819
2	C11 H22 O5 N2 S1	295.13223	295.13254	-0.1138535	295.13217	1168	1625	1419	0	781	0	710	0	778	0	1863	709	0	868	0	0	597	598	0	0	0	1057	1049	858	0	0	0	3721	1114	450	1131	826	1434	943	777	1092	0	673	900	0	529	0	557	472	947	939	723	910	1030	776	994	0	889	424	483	717	0	2113	0	0	977	0	0	366	0	0	0	468	0	0	601	622	1206	718	0	1817	490	809	472	27143	766	0	465	395	574	448	885	638	595	1946	22470	39148	0	3064	325	978	0	844	601	604	701	856	849	0	1039	972	0	589	924	696	Peptide	0.45454547	2.0	0.18181819
16	C19 H18 O3	295.13287	295.1333	0.1738052	295.13293	39147	41003	38612	36639	27545	20425	36853	49091	24803	43600	31665	31717	25413	21798	33542	54256	51331	27544	34975	49677	44183	41401	37668	53855	34754	68930	32923	21116	35687	37844	42999	41231	52672	31753	44641	36348	35964	33642	55085	32466	44965	26128	2387	823	985	32945	37946	1445	50118	39361	46026	44672	27650	1227	20568	25621	25701	48466	24835	38119	37995	25668	25333	23052	18450	29540	24479	47404	52445	63558	76764	34055	37882	39653	53170	42193	915	29631	44845	30032	45203	27965	39747	25996	34294	24581	44050	28509	32428	76346	40394	35047	64729	22341	34520	1404	36224	39452	25508	30975	38311	45938	33494	36675	16130	44728	28436	647	44847	29032	Phytochemical	0.15789473	0.94736844	0.0
12	C19 H18 O3	295.13287	295.13327	-0.006647272	295.13287	12788	18123	14973	14256	7050	5888	14265	17479	7328	12380	9100	11155	7944	4636	14224	23643	20481	6718	6244	10601	9941	18620	14687	19296	11301	15014	13017	0	11299	17047	10913	13522	13484	8437	13980	14551	13256	12938	22187	11236	14786	9053	1258	523	812	14982	12098	853	20665	14608	12766	17605	7134	445	10616	9948	6876	18413	8811	13644	0	4624	10422	5727	6413	8092	7500	19186	20870	12999	20657	10271	13991	15426	16466	19291	644	10430	18142	0	17537	11090	13032	7155	13365	9631	16468	7218	7098	27440	13021	14254	23563	11044	14530	1316	16261	21484	10121	9642	9637	18690	11639	18813	0	15068	8857	472	15218	8560	Phytochemical	0.15789473	0.94736844	0.0
14	C19 H18 O3	295.13287	295.1333	0.098727345	295.1329	23831	32098	26313	25358	16456	13654	22516	29602	17138	25120	20182	25846	12452	11487	26155	32759	36298	12684	16360	31689	27256	25730	22635	29993	26762	33002	25785	13282	22769	25972	23357	29796	29116	20249	26132	24502	22860	22938	38288	20357	29845	12765	0	787	609	19646	33827	1314	31410	29985	29348	26448	16557	457	14533	15779	12656	38529	20634	23421	26670	12286	16202	15426	13497	18314	15132	40266	24983	32027	52227	18495	24252	23951	27434	31029	608	18633	34537	16585	30789	22080	30235	18941	26540	12969	33783	15084	19655	53937	21925	20038	40613	15605	19341	1301	29171	25797	17955	23316	21143	28994	23779	26877	0	30067	13237	677	30071	14249	Phytochemical	0.15789473	0.94736844	0.0
26	C16 H22 O3 S1	295.13623	295.13647	0.4042753	295.13635	2811	2547	2877	2294	3857	0	0	0	3212	7256	8303	0	0	2057	0	0	0	0	0	9757	10745	7788	0	0	0	0	0	8446	0	0	0	0	0	0	10366	0	1956	0	2354	5068	4727	0	0	0	0	6112	0	0	0	0	2986	2162	3489	0	0	0	0	2289	5084	3919	0	3443	0	0	0	2605	0	0	0	1922	2231	0	0	0	0	0	0	0	0	11090	0	5196	4418	3152	0	0	0	0	0	1990	19472	25148	0	8554	8650	0	0	0	2845	0	0	0	0	0	6137	0	0	0	0	0	Organosulfur	0.1875	1.375	0.0
8	C12 H22 O8	295.13873	295.13925	0.002140303	295.13873	0	0	0	0	0	0	2087	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1440	10895	0	0	0	0	0	0	0	0	0	0	0	0	0	1313	5363	0	0	0	0	0	0	0	0	1535	1314	357	829	0	0	0	0	0	0	0	1291	0	0	0	1845	0	0	0	0	0	0	0	0	0	318	0	0	19890	0	0	0	0	0	0	0	0	0	0	0	0	0	4424	0	0	0	0	1513	0	0	0	0	0	34426	0	0	0	0	0	Unclassified	0.6666667	1.8333334	0.0
12	C12 H22 O8	295.13873	295.13913	-0.03509286	295.13873	29718	29702	31280	27376	43094	41484	39944	17050	36072	24574	47128	55336	17414	44408	24276	6582	22970	18436	17003	14962	16420	29196	21274	0	16923	26368	16550	68502	11234	10812	39440	21308	13456	31162	19030	9218	16162	43614	39004	39264	42058	25480	73006	83490	46810	21160	24582	80504	25958	20432	34176	29938	49438	49676	25546	30514	66504	17052	109922	71620	0	69188	37168	39112	81916	49182	56965	30244	0	36194	36612	34538	29784	21604	4554	31594	36954	46599	37692	0	55880	72212	38161	29538	30964	32808	35354	45838	40474	0	12010	21576	10895	54378	9422	73046	30262	15366	61560	46796	27682	7904	41680	0	801518	23920	36110	85724	45006	27230	Unclassified	0.6666667	1.8333334	0.0
10	C12 H22 O8	295.13873	295.13928	0.006195632	295.13873	0	0	0	0	20198	7362	0	0	4012	0	5608	0	5383	42980	1018	0	0	4464	5791	0	0	0	1035	0	1150	0	2929	13627	0	1509	0	0	0	0	0	0	0	1431	0	0	1887	7582	4387	1789	1893	0	0	2200	0	0	0	0	17658	3028	0	4009	2770	0	0	0	0	2320	2487	3766	2968	4571	8955	1277	0	0	5416	0	1597	0	1194	0	2099	0	0	23083	1371	0	0	0	1115	3505	0	0	3202	0	0	0	0	4004	0	2630	0	2108	0	1088	0	0	0	0	0	0	2278	2360	0	2288	Unclassified	0.6666667	1.8333334	0.0
8	C13 H18 O4 N4	295.14008	295.14047	-0.13249874	295.14005	6953	3487	4344	5487	3221	2600	3965	5948	1842	2054	0	2820	950	0	3585	7426	7634	2314	4802	2106	2618	7100	3294	9736	5870	471	4724	0	3957	5045	4329	7096	5412	4939	2122	4859	6568	5230	8106	2709	4680	2402	0	0	0	2647	0	0	6465	5647	4971	5422	2659	0	1863	835	2083	8476	2255	3100	6487	0	0	1050	0	1837	2411	8821	0	0	0	4785	4022	3472	4167	4352	0	3572	6708	0	5521	1552	3319	1793	1707	0	6806	4515	3770	20500	0	0	16358	0	0	0	4265	3741	0	848	0	5791	3410	3583	0	9642	0	0	7891	2126	Peptide	0.30769232	1.3846154	0.30769232
6	C13 H18 O4 N4	295.14008	295.14053	-0.052361492	295.14008	6225	8110	6131	6115	2854	2970	6041	9038	2230	2619	2737	5004	2501	1252	6368	9047	8478	4600	5562	2764	4705	9967	5765	11180	5899	928	5702	0	5908	5666	6616	6594	9964	7704	5032	5023	6410	4633	12576	4188	6317	3647	0	0	0	4482	4629	0	8734	5751	5606	6924	4135	0	3517	1429	2943	9977	3457	6531	9364	3032	2816	2096	2204	2692	3230	12027	0	3200	0	6697	7109	5121	5497	4952	0	3821	7320	0	6118	3860	6822	3950	2903	2321	8870	4353	4304	22728	5962	8888	19076	4084	3934	0	7106	7272	2461	1541	2630	7420	4410	7358	0	8944	1920	0	6140	4129	Peptide	0.30769232	1.3846154	0.30769232
4	C18 H18 O2 N2	295.1441	295.14468	0.13093454	295.14413	1854	1919	1261	1280	0	588	0	670	0	3948	3456	377	0	0	490	1660	1161	0	0	2149	3381	889	835	0	884	771	0	0	0	649	769	0	717	0	3694	0	996	589	689	5808	3142	673	0	0	0	2657	18410	0	1044	589	1550	1913	0	0	0	0	293	1636	0	0	1135	2796	239	0	0	0	0	0	0	0	0	0	868	995	0	378	0	604	564	12458	322	0	0	8825	0	0	531	661	738	4539	18639	0	2079	11250	56832	0	1451	1426	0	0	0	711	717	0	7948	1213	0	0	584	0	Phytochemical	0.11111111	1.0	0.11111111
18	C13 H23 O2 N2 S1 Na1	295.14508	295.1455	0.17023546	295.1451	6882	6321	4965	3351	3812	6590	2503	4590	5149	8065	7344	3622	6251	4010	4506	6070	3663	9845	8481	8851	15800	2697	5575	4888	3070	4648	2417	36436	0	4399	2833	0	6204	0	11667	5279	4780	3206	5865	5018	3026	3046	0	289	0	1650	4263	0	6533	2189	4320	3957	5723	0	5874	6555	3765	6577	3757	3579	3659	3015	7246	5577	1707	5893	3727	2928	4519	10690	7916	4844	3728	4247	3669	6089	0	4338	3844	4211	3929	3941	3804	4070	4687	4506	3059	4878	6444	0	16700	2816	7108	2876	10785	0	4508	7530	2500	4525	3932	7356	3427	5192	2619	3846	3424	0	3848	6702	Peptide	0.15384616	1.7692307	0.15384616
16	C13 H23 O2 N2 S1 Na1	295.14508	295.14548	0.19839868	295.14514	25718	26274	21048	20998	25272	15566	15086	16580	22116	33742	15218	18640	26384	12680	20954	18484	22838	26106	44698	44134	38672	21894	16614	18164	13224	34100	16396	14192	17948	14378	15644	15930	28256	15112	14134	15560	22764	12508	23086	24474	23978	8248	456	0	0	18847	14232	0	20728	16164	15800	14692	22718	0	13496	14428	13746	27248	15386	17192	0	16430	32272	18538	7758	19264	18468	15532	25376	41876	43698	15950	13970	13864	22154	24400	0	13562	17128	12358	13476	8200	18160	19796	10324	17844	17108	18232	19168	0	16623	17560	0	16354	13850	0	22608	20300	20202	25038	18638	24578	9858	13294	0	0	14366	0	15806	13822	Peptide	0.15384616	1.7692307	0.15384616
14	C13 H23 O2 N2 S1 Na1	295.14508	295.1455	0.11798575	295.1451	9752	8800	11462	8202	10694	6924	7572	11840	7680	13382	9718	8418	12072	4842	7142	16578	12626	13634	10980	18362	19954	11258	10516	15414	8932	28372	9506	0	10294	10678	5568	0	11644	8820	15834	8308	15526	6340	11370	11004	12476	5576	0	0	0	9628	7950	0	11040	9328	13438	7684	8732	0	9460	7560	6522	13288	0	0	0	4912	5110	9870	8498	7974	11200	14408	0	28560	25844	9772	7906	6476	14718	14357	0	12487	11330	0	8030	4448	11052	11692	11498	5308	9664	10138	9854	12903	11112	9260	14057	5592	10650	0	7678	15002	10158	10448	7846	15246	5140	13334	0	12463	6930	0	10170	11142	Peptide	0.15384616	1.7692307	0.15384616
4	C23 H18	295.14813	295.1487	0.25110564	295.1482	3487	3967	4014	3796	1976	2314	2306	3547	2122	3163	1946	6146	1613	0	4293	4820	6332	1408	3122	2943	4023	5134	3350	12098	2820	1344	2412	9736	3093	3131	7878	3168	5022	2736	4662	3655	4426	8072	6809	3929	5476	2550	0	0	0	4066	0	0	4251	3718	8752	3472	2426	0	2275	1166	1629	9446	2677	4178	10592	3130	2235	1588	1332	2337	1894	5923	1266	1837	0	3279	2184	3245	2826	3095	0	2675	3268	55559	7484	2505	2823	5628	0	4142	3285	1799	2291	17042	15172	32943	11271	3804	4213	0	3409	10508	1463	1473	1765	9408	7184	5299	0	4830	1239	0	3278	2335	Phytochemical	0.0	0.7826087	0.0
18	C16 H22 O5	295.154	295.1544	0.15111402	295.15405	2350511	2199768	2235878	2005072	2213137	1897340	1946375	2031720	1704608	3128737	1845320	1280631	2837383	1656972	1778173	2402444	2036072	3323200	3529261	4053995	3569179	2229553	1755798	2055044	1555121	1906933	1751981	1960201	2366712	1926979	1831366	2296514	2934515	2162016	2893905	2191677	2995314	1454032	2093063	2102577	1655317	1919082	97925	25147	29338	1474431	1222811	29235	2418834	1610340	2215444	2242950	2018644	33594	2926963	1953542	1389534	2670246	1492538	1228023	2274716	1356943	2496835	2096178	1205712	2518332	2164670	2155571	1529074	2255694	2116936	1711091	1560661	1762384	2045564	2020782	21174	1319965	1844299	1448555	1374231	1146432	1744342	1633518	1839104	1652097	2000376	1940760	2169281	1888532	2883164	2942128	2558610	1343185	2255971	45661	2221422	2255081	1610626	1974713	2148832	2937979	1301070	2196382	846601	1762395	1559021	28889	1449239	2407001	Lipid	0.3125	1.375	0.0
22	C16 H22 O5	295.154	295.15436	0.17633288	295.15405	518336	519963	461068	508635	584973	603256	432069	539646	612308	522558	240684	333341	676082	497352	507460	531519	406153	1052421	715203	585762	535575	472337	434691	504912	509613	240685	391492	290080	663513	497708	505504	615389	755707	569107	552088	591424	943382	431369	425320	341217	250326	437905	41212	24978	29325	317844	233145	29601	597632	412109	525337	497989	544069	26304	888166	529765	376828	646510	432733	229906	552318	251578	672194	615372	302205	693777	564801	398622	190281	383055	275187	456176	458612	501933	336434	532584	23773	381764	475383	225568	382904	209453	429504	267005	510237	409974	501463	436709	513182	432204	726266	737023	610325	248037	398409	31692	458548	543182	427340	526446	501928	769671	382969	521488	248737	497731	461995	30914	396954	860921	Lipid	0.3125	1.375	0.0
20	C16 H22 O5	295.154	295.15436	0.14280549	295.15405	1343829	1443428	1433361	1200628	1569100	1428956	1133242	1251556	1468643	1855528	962610	805607	2051714	1230966	1233677	1335285	1099629	2202231	2278470	2433157	2151915	1319524	1003816	1187092	1074009	860343	1091431	1061060	1638007	1171568	1045579	1446309	1922546	1377741	1954379	1306829	2098660	934646	1097336	1186781	864897	1209060	65505	30532	26188	918257	661312	36329	1436752	962156	1402358	1438246	1430291	29719	2007364	1374096	941989	1602686	1130963	678054	1371787	785640	1681282	1535880	781930	1737500	1365232	1108965	686895	1121405	986153	1090520	1225213	1238563	1194735	1283308	21808	902762	1060354	825643	774805	588219	1158374	915954	1201760	978149	1207581	1132735	1340552	1102115	1938507	2020091	1490346	864311	1118938	40878	1419897	1512858	1100747	1219412	1357296	1850077	864444	1542209	691899	1135931	1152521	33460	907313	1993759	Lipid	0.3125	1.375	0.0
8	C16 H22 O5	295.154	295.15448	0.06825971	295.15402	115864	130933	157720	116091	124594	58410	219848	265094	151420	69437	119994	94947	158894	51764	215416	150356	295388	75418	99734	212922	103456	146383	111464	288122	99984	95159	219492	70004	123331	131874	208186	130932	107741	84162	103416	132074	215894	189938	347976	159206	180262	85203	17754	12721	17407	235926	112048	13473	130633	245090	219186	112313	74104	13158	240020	160482	73315	128313	101999	203652	293046	114396	159106	74652	56068	140742	123106	308432	91786	157836	103559	93774	222280	125492	224718	264188	11858	171034	309236	68514	234308	99584	130919	77249	184234	61502	286250	61409	80497	168706	94534	107306	343780	155600	99026	18442	116271	249166	152524	215208	108916	137575	99502	260618	72869	113979	82650	11491	226446	68675	Lipid	0.3125	1.375	0.0
16	C16 H22 O5	295.154	295.1544	0.11847382	295.15402	1834038	2007565	1920219	1915077	1943160	1552203	1989607	1800469	1572328	2010710	1367147	1227736	2124624	1449123	1577066	2311901	2294708	2673238	2792676	2957282	2754154	1938347	1604363	1974592	1546302	2355497	1779996	1297778	1866487	1704639	1708199	1960725	2438868	1616571	2141964	1884453	2390762	1349185	4767132	1777906	1722603	1607873	89949	28314	30397	1331238	1324899	30642	2236288	3315776	2012379	1926707	1778480	33633	2054003	1634288	1216936	2584044	1217148	1391479	2086985	1111815	2010808	1642113	1031326	2170580	1799714	4228344	1855400	2622813	2554517	1545730	1679776	1622100	1994301	1782506	25250	1163991	1790650	1308905	1227344	1091219	2076569	1989298	1755307	1259496	2034630	1627740	1743941	2491612	2127557	2274781	2520128	1221680	1825950	47440	1899776	2052208	1318997	1663985	2008172	2529998	1051210	1807225	733600	1892750	1584719	25987	1517839	2096303	Lipid	0.3125	1.375	0.0
6	C16 H22 O5	295.154	295.1545	0.094792575	295.15402	47919	48559	60046	42887	52430	25495	46322	54602	33503	63846	60606	37157	58530	54800	47713	56636	52911	68396	77356	80480	73852	111376	45587	60256	36312	56066	38920	53558	54799	61165	51435	55339	54681	71620	76216	112636	95088	37550	60707	29077	40529	37112	14983	11245	15698	96730	47326	12778	55060	51716	40859	86096	57638	12912	43358	36606	63688	55956	42944	46358	64868	45110	60178	59044	20267	60332	29569	129196	75314	31335	76288	69576	47168	54229	66758	57590	10378	64036	97380	22455	46379	49409	106430	53802	36133	65242	45508	26276	33809	71461	61102	88010	60479	64228	80666	14828	81490	44350	29420	77064	46492	58584	98462	94054	47496	89928	63658	11225	82722	58736	Lipid	0.3125	1.375	0.0
14	C16 H22 O5	295.154	295.15442	0.0897751	295.15402	2867748	2714056	2681320	2843018	1083808	932954	2905626	2772210	1003267	1041121	794504	1931640	1187644	840752	2166446	3580884	3672012	2952692	1452185	3057470	3023566	1427029	2265712	2874286	2344458	1509882	2854342	812797	2694632	2655216	1217753	1491927	3396002	1165973	2388116	2859520	3077024	1998616	3811262	2030828	1089788	2100848	62119	20349	19917	1972514	969014	24655	3125890	2217020	2746676	2491536	2132506	24562	1355476	1006469	1652630	3970892	863979	975393	1559471	1188344	1176855	1079159	1451696	2467862	2233586	1904259	1140734	1611732	3501088	2025940	2143452	2414168	3367410	2657494	15628	1864716	2858330	850491	2239444	1543062	3089290	2508860	1150655	839314	3309268	2042858	2332700	4629360	1411224	2648946	3941990	731989	2093160	39161	2865356	2724112	868479	1244853	1344432	3163088	1819126	2720214	582985	1470809	970189	21653	2398938	1059634	Lipid	0.3125	1.375	0.0
4	C15 H22 O4 N2	295.16522	295.16577	0.06731153	295.16525	315070	336749	308331	317952	99250	234168	158597	262307	85544	193812	175315	107617	100889	57599	185944	301264	217924	172648	196276	215201	193958	396305	146215	306834	266755	69077	164941	736324	258081	189666	245202	253406	331918	179190	267103	249779	362080	146722	248585	165397	132946	135869	1170	460	255	167094	132926	354	301211	204048	325334	260230	125612	685	132627	40902	63866	331349	55506	53684	277518	87690	94659	91876	57040	116255	120386	231538	66652	176100	143196	173143	178485	233001	192268	199366	0	167459	170520	2813296	133495	59678	96669	88458	65978	86038	192225	115955	140463	287403	3788241	2519006	689542	462276	263924	1490	280873	328724	77085	58305	64548	265109	136373	240769	75701	278638	71862	488	168347	119951	Peptide	0.26666668	1.4666667	0.13333334
8	C15 H22 O4 N2	295.16522	295.1657	0.081641294	295.16525	110768	123291	97453	117562	36797	37504	78595	152602	35235	115481	62552	81572	38750	21344	79907	137426	120642	51686	86552	144372	138812	161359	81403	165853	76150	76636	85708	70889	114722	116420	114409	152007	140460	130001	145982	130121	143904	73851	154325	136248	147061	51569	583	0	0	112603	123758	0	151627	126717	110807	109129	47492	299	48801	24351	30190	131598	58579	97688	134809	80199	38899	40785	27608	51812	52749	141294	63079	107033	125446	135480	128353	123840	91388	127826	0	77230	97907	104090	75159	69028	86319	95172	25247	25544	86137	58659	62504	176137	377261	319878	202706	107606	137853	511	116428	116194	26252	24393	25333	134797	72881	144852	47086	119510	29816	0	92574	50520	Peptide	0.26666668	1.4666667	0.13333334
18	C15 H22 O4 N2	295.16522	295.16562	0.07337445	295.16525	13309	11571	11614	11425	9712	9257	9698	14307	3480	8110	6649	7956	5542	25416	11149	18559	19553	8912	7195	3865	10290	11315	10284	16215	11847	2538	9881	5283	16661	9098	9174	16531	16789	11266	8170	13610	16122	8279	16474	7024	6576	10596	0	343	0	7159	8283	0	14250	12598	13539	11895	9929	0	3134	7659	6525	21538	8979	6666	16193	4302	2545	4531	3871	6858	9933	17570	4283	2844	6351	9981	7941	8361	12319	9694	252	9276	10852	9342	8203	3698	5192	2944	4319	7476	13343	9100	9731	18211	20792	20022	25148	3137	11039	0	12815	10030	4258	1922	2373	18231	8404	7897	4963	16101	3587	0	10713	5209	Peptide	0.26666668	1.4666667	0.13333334
16	C15 H22 O4 N2	295.16522	295.16562	0.04704547	295.16525	43437	44385	49562	43162	18590	22752	41417	53092	14553	36527	25374	47206	13556	8300	44840	78369	102174	28317	30546	47871	37702	57118	37657	68986	41394	18646	45764	21718	52862	49259	49087	58172	77855	51664	50359	56501	78992	34916	108272	41214	59950	28288	536	0	0	36101	50102	0	64638	53589	44694	41289	29215	422	15992	5218	20435	71790	33387	66783	60960	22868	8507	16753	13716	26536	25950	78447	17943	27260	27882	49102	50778	49112	78849	55215	368	38988	43231	37354	29095	29815	49461	27711	15151	14064	44329	37268	35996	117394	65959	66354	89359	33043	43366	542	37979	45260	15150	9331	10565	78663	40355	51330	0	78484	21293	0	54112	26711	Peptide	0.26666668	1.4666667	0.13333334
2	C15 H22 O4 N2	295.16522	295.1658	0.08527219	295.16525	146117	142463	125504	128225	55651	74883	111491	197062	53079	131024	66876	83808	62604	33950	128567	175579	152471	95253	112783	162957	170346	201446	98346	196865	180122	61378	102589	65586	180086	128322	147662	164572	190721	129116	167315	167750	188154	103173	181027	156361	127136	81348	773	0	0	98211	100739	0	178672	134510	127407	132200	70511	279	87911	28966	39230	192927	54499	55493	157755	66071	50586	60110	40224	66575	94788	187911	58237	116128	119484	123537	137925	146002	128144	129938	0	97077	130343	790621	91889	51534	77923	77033	46236	56890	137519	72524	90614	254740	165432	201457	407579	85518	134758	689	140317	144477	37842	36511	43997	163751	83388	193686	58613	182656	48436	289	117255	70554	Peptide	0.26666668	1.4666667	0.13333334
2	C12 H26 O4 N2 S1	295.1686	295.16922	0.36689427	295.1687	818	0	1183	2629	307	0	0	0	433	0	1435	491	0	0	580	0	0	0	0	0	0	0	434	0	512	0	0	34647	0	0	0	0	820	533	0	0	0	0	0	363	0	0	251	0	0	0	0	0	0	0	0	981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	369	0	331	0	146500	0	0	0	0	0	0	415	583	0	0	30084	6020	1544	9868	0	0	883	0	488	275	0	0	766	0	260	0	0	0	0	0	Peptide	0.33333334	2.1666667	0.16666667
16	C20 H22 O2	295.16925	295.16962	0.024758117	295.16925	22759	20095	21571	18972	12282	10111	22647	23161	10823	14870	12421	20047	11674	7914	23668	38417	38190	4904	16367	13043	14337	25649	18506	20368	16360	21043	25139	11096	19163	20213	19452	23248	29498	12980	10120	20762	21512	23732	45846	12641	22318	11776	481	0	0	10003	21105	0	26894	26969	23084	16240	15195	0	8999	13011	13953	30855	11262	23684	20823	8646	10607	7867	11109	11149	12447	35142	17221	19388	27626	14024	20645	22240	34232	23538	0	12342	30061	13049	27934	16560	21575	14343	19140	14157	30090	11338	12906	74903	18222	20800	0	14866	17199	559	26033	23253	10367	18786	20105	27777	16808	22638	7340	22933	14226	360	25583	7690	Phytochemical	0.1	1.1	0.0
18	C20 H22 O2	295.16925	295.16962	0.073445015	295.16928	34410	47585	39571	33551	29691	18147	47711	46169	16868	26664	25954	39044	19568	20319	42726	58963	87053	22517	40141	35193	31694	33359	39199	46642	45416	45396	41464	25502	47859	44871	43951	42285	50028	34305	25757	48471	42921	40586	81356	29827	38252	26731	1047	403	0	21756	29066	405	47284	40657	36621	42960	21118	0	26554	23213	22962	51993	26098	36118	48012	21282	22910	22113	24952	20183	30706	87410	35007	36379	71035	37558	31308	48097	74227	53461	0	32079	59145	32247	54436	26058	33172	25637	35803	29605	50253	25742	26697	95398	47875	40318	71002	28949	37823	516	40121	39959	27574	38423	40713	58366	35200	44450	17204	46928	24617	0	52256	16821	Phytochemical	0.1	1.1	0.0
28	C20 H22 O2	295.16925	295.16965	0.22172104	295.1693	10018	9554	7021	8351	9723	4221	6171	14111	6691	2897	5141	7815	7124	8757	7636	11791	7441	4453	9981	5924	7438	13232	8565	10650	11825	8570	5676	6681	11922	11008	9620	11869	13117	10386	6520	15966	10986	8723	10597	5415	5305	5806	1243	0	0	5549	3335	0	10919	11201	9243	8113	8452	0	7889	8517	5126	14136	6684	4164	14733	3449	5592	4798	2848	11103	7469	8498	7380	8683	9054	6365	6812	12167	5706	11121	0	7356	17622	19619	6163	3384	6265	6212	10021	3664	30684	8302	8145	21011	11068	16752	22632	14654	9986	0	8957	8557	6293	16424	18823	14909	7005	11331	3450	15432	6522	0	13841	5779	Phytochemical	0.1	1.1	0.0
20	C20 H22 O2	295.16925	295.16962	0.14070822	295.1693	67138	74675	63253	57177	44102	34988	61996	86630	34271	45358	45466	56606	34046	39787	66361	101157	126755	43053	58773	58923	65812	68870	52738	87320	58021	106120	69822	42497	70617	75300	67692	68051	91027	64167	56573	77844	80500	57478	114031	54025	73954	49956	1627	676	274	41713	56351	0	86257	74683	65723	71698	42907	666	38401	47344	45205	87126	42479	64590	79396	31621	34180	40603	37777	51310	48074	127166	73083	70403	131957	54515	63733	71798	117408	77093	272	47176	87730	55955	72410	34272	58097	43355	65039	49634	91095	53601	49925	166545	76368	68839	114057	50370	52951	1626	69734	64425	42754	61776	64261	122532	58791	66752	35442	81332	43920	618	82481	45404	Phytochemical	0.1	1.1	0.0
22	C20 H22 O2	295.16925	295.16965	0.19754644	295.1693	99206	109585	93406	85446	79322	64627	76388	126423	63372	78006	74377	87094	62778	65537	102313	157627	156608	73274	83371	98604	74622	97165	93046	141200	114380	167992	75847	77548	114338	123736	106414	131494	134309	100515	83046	124247	126247	98280	156254	86331	97889	86939	2584	0	0	74795	89292	0	124113	116233	97736	94873	73839	1202	56182	61255	66158	133252	62994	81448	135747	55172	52287	59191	46478	81152	89799	172545	129033	124888	182466	92315	89244	93488	124608	134847	1082	81792	128249	81621	98678	56452	71608	65769	90698	63368	132949	93345	84865	240570	105965	100971	198417	79901	95804	0	85957	98742	73676	89713	81039	194079	88342	123074	57367	128880	63753	0	115087	58098	Phytochemical	0.1	1.1	0.0
14	C20 H22 O2	295.16925	295.16965	0.019148212	295.16925	10016	6724	5199	12894	4923	3182	11588	15617	5655	6160	3652	10383	3042	1768	8307	12105	19381	2995	6210	7150	6216	9062	8538	9606	10557	9076	17077	0	8016	13515	10015	7617	9054	4364	5612	13032	7423	9634	21283	5840	10728	5026	0	0	384	5995	6411	503	10137	9453	6484	7053	5136	0	3877	5715	5509	11602	5354	9001	0	3185	2632	2663	4167	2780	3973	21600	0	9212	13289	6300	6962	7138	13149	9700	0	7314	13360	0	13157	6686	9696	7387	7864	6530	19243	3618	4716	31740	9016	7839	14483	5829	7177	0	15034	9808	3220	10860	12022	9091	9701	10978	0	10223	6039	0	15506	1719	Phytochemical	0.1	1.1	0.0
26	C17 H26 O2 S1	295.17264	295.17282	0.25085163	295.1727	0	0	2442	0	0	0	0	0	0	2553	3724	0	0	0	0	0	0	0	0	0	0	3846	0	0	0	0	0	5416	0	0	0	0	0	0	4109	0	0	0	0	3984	4006	0	0	0	0	0	0	0	0	0	2381	0	0	0	0	0	0	1817	4361	3043	0	3206	0	0	0	1781	0	0	0	0	0	0	0	0	0	0	0	0	0	8792	0	3360	4475	3228	0	0	0	0	0	1559	17670	22979	0	8494	7351	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.11764706	1.5294118	0.0
12	C13 H26 O7	295.17514	295.17554	-0.027871132	295.1751	14722	11011	14377	13065	4887	3243	0	2524	3033	22180	16073	3254	3461	5410	2623	1919	3135	4546	0	18040	5154	10691	2025	4722	0	2097	4734	14300	2828	2392	1882	2078	0	2138	7965	2048	3563	2786	2665	23420	4505	3760	6782	5069	4573	44784	4040	5872	1957	3065	13764	10925	3078	8139	3536	2264	4825	8746	41645	0	55749	31178	39841	2873	20369	18843	20219	0	0	38950	5924	2230	0	1504	0	2045	3808	2022	1606	0	1465	5292	1976	1881	4540	16165	1629	6284	2186	0	38143	21156	8147	6520	7998	4417	11839	10002	6633	0	2860	3643	2114	20657	1005058	2907	1590	5736	1674	12365	Lipid	0.53846157	2.0	0.0
8	C13 H26 O7	295.17514	295.176	0.21093515	295.1752	0	0	0	0	0	0	0	0	0	0	2768	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1638	0	0	0	0	2965	1135	0	0	0	0	0	2764	0	0	0	0	0	0	0	0	0	0	0	5997	0	0	6675	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1655	0	0	0	0	0	0	0	0	0	0	103924	0	0	0	0	0	Lipid	0.53846157	2.0	0.0
14	C13 H26 O7	295.17514	295.1756	2.57184E-4	295.17514	2263	0	0	0	1944	0	0	0	0	3041	4672	0	3882	4137	0	0	0	0	0	0	0	0	0	0	0	0	2721	0	0	1365	0	0	2117	0	0	0	0	0	1578	2176	0	1185	10641	3341	2156	2183	5283	3909	0	0	2060	0	1325	4709	0	1190	1375	0	13279	0	0	2825	3555	1854	10292	4107	6031	0	0	1818	1481	1144	0	1327	0	0	3301	977	0	0	0	1146	0	0	1829	6141	0	2928	0	0	0	0	0	0	0	3389	0	0	0	1082	1320	0	0	2765	78887	0	0	3134	0	0	Lipid	0.53846157	2.0	0.0
10	C13 H26 O7	295.17514	295.17575	-0.022317601	295.1751	1478	0	1960	2534	0	0	0	0	0	13045	12774	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	910	0	0	0	0	0	0	0	0	0	0	0	0	6891	3022	0	1000	0	0	4755	5161	0	0	0	1265	2048	0	614	0	0	0	0	25844	0	0	20892	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5729	0	0	1502	1725	0	0	0	0	0	0	291380	0	0	0	0	0	Lipid	0.53846157	2.0	0.0
4	C14 H27 O1 N2 S1 Na1	295.18146	295.18167	-0.38694596	295.18134	555	592	706	1066	0	2758	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9589	0	0	0	0	0	0	0	0	529	0	0	0	0	0	0	0	0	0	0	0	0	0	612	557	0	0	0	0	0	589	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31981	0	0	0	0	0	0	0	0	0	0	70322	8570	0	2527	0	0	632	743	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.071428575	1.9285715	0.14285715
8	C14 H27 O1 N2 S1 Na1	295.18146	295.18182	-0.23483588	295.1814	0	0	999	1226	0	928	0	0	0	0	1358	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5910	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7629	0	0	0	0	0	0	0	0	0	0	47229	0	0	1909	952	0	884	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.071428575	1.9285715	0.14285715
2	C14 H27 O1 N2 S1 Na1	295.18146	295.18158	-0.2458618	295.1814	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19463	0	0	0	0	815	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	303	0	52721	0	0	0	0	0	273	0	0	0	0	22938	5269	0	2433	0	0	0	0	0	0	0	0	544	0	0	0	0	0	0	0	Organosulfur	0.071428575	1.9285715	0.14285715
6	C14 H27 O1 N2 S1 Na1	295.18146	295.1818	-0.13607392	295.18143	1077	1741	898	1026	0	3056	0	0	0	0	2981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21406	0	0	0	0	1047	0	0	0	0	0	0	0	0	1178	0	0	0	0	0	0	0	0	1712	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25058	0	0	0	0	0	0	0	613	0	0	116199	15579	0	5003	1756	0	871	1121	0	0	0	0	496	0	0	0	0	0	0	0	Organosulfur	0.071428575	1.9285715	0.14285715
12	C17 H26 O4	295.1904	295.19083	0.10030399	295.19043	24577	19939	20304	20084	8600	13073	22931	14350	7013	7780	10337	9919	7764	9986	10597	35406	28174	6551	10247	12156	4711	19801	8988	13741	13215	8094	33069	11072	15946	19358	10402	23116	11638	12087	4267	22327	15606	10672	26168	5133	9298	9940	2189	2229	2257	9113	14410	2375	24178	19199	21538	25471	8738	1415	6624	6984	7181	31027	4330	7877	20997	2604	9447	4802	10936	9602	10571	23426	0	6459	8614	10418	12494	23007	35803	20985	1514	9412	16386	15882	7704	9284	17433	17110	11622	9674	23888	6830	8109	41282	91592	57804	26160	5413	18234	2817	16820	18420	8319	13245	15495	20079	9267	15358	0	18200	11700	1841	13512	3792	Lipid	0.23529412	1.5294118	0.0
18	C17 H26 O4	295.1904	295.19077	0.11318349	295.19043	202630	201102	195004	197182	141465	128371	654111	195101	87511	137103	122966	121110	148111	247291	173098	283087	345505	155270	205949	154107	151552	161853	132353	164935	173424	290427	607581	155473	222684	199283	161434	213982	215864	184944	100930	226239	214760	151980	357997	93103	151994	173544	20416	3939	4520	96927	127220	4257	226142	165061	201880	209228	147196	8234	138707	148460	155899	271264	97732	159207	234839	70959	171659	96618	210833	193011	243611	355559	121805	134191	182815	125590	148903	216003	344971	199503	3823	96602	193454	227788	130165	113727	713029	743366	168981	199413	298175	150481	183660	428386	287961	254809	255473	118893	157813	7845	215609	192633	137185	209082	292186	253905	110679	165508	73875	175072	145224	4516	203055	109331	Lipid	0.23529412	1.5294118	0.0
20	C17 H26 O4	295.1904	295.19073	0.12419434	295.19043	387279	415674	400042	369296	308430	293737	1318240	329027	208120	362009	272554	216123	289546	654229	312841	481820	516098	343776	401111	435780	439201	325332	224617	288568	330852	505221	1429332	338820	427185	339241	257914	406090	442186	359806	333260	413803	433346	271167	509916	221410	306454	335445	44570	10007	7260	234445	296365	10698	367659	264850	399309	405855	301382	12767	267691	273211	258176	482010	216149	293024	433653	170426	374372	227923	380153	452509	482854	491819	232426	314833	365447	239554	310169	377721	572625	349608	7079	200559	300211	445273	196988	230391	1216858	1143085	273913	284536	446585	295701	343951	591951	674234	583904	438927	247160	311746	16031	394082	425483	251708	305448	376830	520460	212604	373138	238990	351558	248428	9514	329093	275016	Lipid	0.23529412	1.5294118	0.0
16	C17 H26 O4	295.1904	295.19077	0.08793465	295.1904	84063	90775	90007	89296	63865	60070	248606	86676	43716	41848	46660	63279	57458	88713	76659	128934	174672	61891	79787	58496	57138	69962	80407	82554	88043	123107	219440	49119	90395	95945	79744	102203	97208	72313	48713	117792	94956	66166	173081	36267	71974	78806	7738	2515	3281	45329	68370	2914	115782	73995	84145	96098	65698	4263	57231	62704	55373	137330	37627	72929	113871	27948	76956	45353	68918	78470	92595	151026	51120	63404	77979	57186	78742	97252	161591	92328	2927	55077	115247	97893	66052	56406	347598	318589	86317	72238	135250	63605	66185	245022	106763	99049	119830	49710	61046	5488	96519	96709	45525	92043	133910	114581	46513	67475	33379	85121	66597	2280	93825	43902	Lipid	0.23529412	1.5294118	0.0
6	C16 H26 O3 N2	295.20163	295.20212	0.074161395	295.20163	9848	9244	8344	12512	3115	5108	8613	15043	2422	14307	5122	4600	2477	2925	9490	19229	9905	5647	7434	17853	19825	12198	7660	20700	11751	8923	7244	5187	12338	10581	12305	14154	14856	9413	18021	12984	13122	6478	12213	11332	5775	5038	0	0	0	10861	8527	0	17429	10397	10747	10179	6541	0	4247	1009	2585	24763	0	639	14177	4969	3605	4340	1513	4069	6610	16895	6128	19367	15277	11039	11145	12437	10915	8113	0	6479	7891	6350	5863	1788	1931	5502	750	1783	10709	4933	5608	27426	27625	9021	33886	5910	16580	0	10445	9285	1684	569	962	12522	6280	14257	0	14036	1466	0	9490	3534	Lipid	0.1875	1.625	0.125
2	C16 H26 O3 N2	295.20163	295.20218	0.11316366	295.20166	5650	7359	5460	6006	2594	0	4334	10443	1794	7107	3806	4765	2729	1899	6501	12037	7341	3316	4934	7918	8261	10024	3899	11838	6658	4411	3014	2801	6215	6759	6152	7436	6140	6964	8638	7284	6431	5908	7412	6635	5284	0	0	0	0	4531	5630	0	7796	6171	6414	7115	2497	0	3246	1046	1306	10766	630	539	7901	3447	1692	2255	0	2347	3414	9106	3874	7751	5995	5811	6314	7646	7441	6450	0	4386	6096	4672	3919	1711	1946	3955	1297	1394	8286	2201	3146	21671	13247	8089	21871	4645	8997	0	5843	7092	1024	812	1296	5462	3648	7394	3249	8997	1401	0	6109	2097	Lipid	0.1875	1.625	0.125
8	C16 H26 O3 N2	295.20163	295.20212	0.1652127	295.20166	7921	7781	8130	9493	2442	3687	3420	9567	2176	12083	6214	3806	2591	2410	5022	11289	7218	3796	6660	11108	11105	10843	5199	11999	9577	5658	4887	9162	8091	5635	6651	11370	11855	8115	12409	8709	13495	5517	7995	10925	4463	3980	0	0	0	7976	6432	0	11399	6423	8525	9115	2488	0	2411	556	1389	16548	0	0	9790	2021	2520	2253	1728	3838	3431	10231	3919	12281	8770	8518	6974	6651	6319	7621	0	3855	5910	0	4349	999	0	7017	0	0	7505	4565	4428	24374	24648	0	24233	5730	7662	0	6472	7694	2145	0	0	7715	3466	7889	0	11024	0	0	6557	3523	Lipid	0.1875	1.625	0.125
4	C16 H26 O3 N2	295.20163	295.20215	0.060553223	295.20163	9289	8969	9100	8535	2850	3393	4982	12266	1854	10973	3731	5297	2483	2656	7486	16549	8197	4435	5576	11686	13204	16868	5925	13869	8999	8485	6280	5844	10179	6547	7527	9060	9764	6746	16604	9668	8875	6199	12171	8598	5781	4446	0	0	0	9382	8158	0	11882	8746	10009	8363	3977	0	4423	1062	1835	14070	628	587	15251	4517	2537	2683	1435	4008	4004	12125	6268	13874	11391	6707	7344	7670	10114	6731	0	5692	9172	6741	6522	1794	2609	6245	1628	2425	14793	5113	4527	25489	26198	10910	27564	8708	17394	0	8863	9314	2011	594	718	9468	4807	10466	3900	11950	1515	0	9710	2358	Lipid	0.1875	1.625	0.125
28	C13 H30 O3 N2 S1	295.205	295.20535	0.25257394	295.20508	5369	3738	4884	4093	3629	2168	5403	6194	4228	1149	3834	3652	2025	2867	3481	7933	9105	2438	4816	3305	0	3891	4198	7349	7934	8378	5254	4703	39984	34256	67317	58249	5807	5623	2477	13550	4683	4290	7611	2756	3230	4769	0	0	0	2267	2270	0	6832	7647	4683	3963	3551	0	2445	4459	1887	6521	2659	2366	10382	1735	1067	2476	2630	2289	4594	7713	6222	2094	4423	2813	6912	80105	3732	14596	0	2912	5428	7901	3530	3084	3754	3370	4915	2857	11576	3095	3959	9486	2363	3788	5043	7550	2053	0	3586	5166	2666	5348	6549	9277	3552	4062	2531	4430	3273	0	4553	1497	Peptide	0.23076923	2.3076923	0.15384616
24	C21 H26 O1	295.20563	295.206	0.16675368	295.2057	18763	23338	18698	16708	14423	8736	21184	24911	9449	10610	15895	19181	5971	14977	19555	35293	53611	13265	19655	19599	15769	12315	14915	22342	23433	33190	16648	15790	21588	32104	18359	30248	25929	18682	11299	29484	19267	20706	53613	12073	21141	35166	0	0	0	10722	12784	0	27195	28757	21152	21926	12910	0	11303	11886	13389	26743	11696	20032	26309	7254	8295	12542	12391	11656	19843	53393	21729	25827	32814	14458	18280	28251	42398	28439	0	16118	26485	18686	17911	12204	16455	12511	22407	18845	33439	16048	21918	52410	17809	15523	31444	12359	13098	0	17926	22274	11245	16803	19828	29823	17391	20761	7030	21754	15492	0	25357	9827	Phytochemical	0.04761905	1.2380953	0.0
22	C21 H26 O1	295.20563	295.206	0.10773046	295.2057	13665	12153	9364	11086	9026	5413	16879	13157	6932	5985	11228	13284	3179	7544	9960	15567	37000	3537	8104	7503	7989	4947	8679	11026	10366	16665	18279	6685	11092	17426	7602	11988	12406	9050	5256	16945	9481	11035	41974	6572	14667	8953	0	0	0	3987	8247	0	12035	15258	13453	11565	7935	0	4981	10848	8068	17883	7319	11035	16368	3753	4960	3722	9522	5401	11031	43932	10463	9424	17938	9908	10497	13484	29378	17993	0	7080	16109	11326	13165	8075	9866	7271	9446	7548	21618	10471	11744	41950	12547	7841	12038	6915	5866	0	10651	12715	9924	11532	8179	18771	12910	8647	3232	12260	7711	0	15837	4025	Phytochemical	0.04761905	1.2380953	0.0
26	C21 H26 O1	295.20563	295.20605	0.21153498	295.20572	20703	21576	15135	17934	15487	7630	16301	26967	11122	7660	18654	14661	8062	9278	14388	23752	38060	9709	21497	14397	13107	12962	12273	17194	20325	52316	17257	17106	19704	32075	21220	27813	19305	12358	14250	31976	20043	18044	32543	15480	22870	54954	0	0	0	8933	12824	0	21863	27584	20419	19424	14612	0	11040	10842	13781	29453	11746	13177	20935	7828	7289	6166	7297	10672	19782	40866	39685	23732	36965	12722	14608	23870	25025	23548	0	13633	21627	26529	11558	17562	16416	17902	14270	14899	29933	10195	16472	34800	13031	12894	25425	23203	13552	0	17806	19807	15206	17843	16495	28301	12652	22403	9916	16645	12652	0	23503	7332	Phytochemical	0.04761905	1.2380953	0.0
20	C21 H26 O1	295.20563	295.20602	0.22789645	295.20572	3013	6516	3707	4221	2175	1285	5293	5171	2430	2252	3947	4972	0	2180	4678	7412	16509	0	5089	0	1878	1710	3031	1613	6069	3456	7996	0	5117	4963	3615	5370	6473	2534	2709	6925	4166	4069	14730	0	3963	5415	0	0	0	1658	4236	0	3188	6605	2789	5641	2581	0	0	4542	5033	3824	2235	7387	3638	2856	0	2440	3281	2955	3274	20604	1923	3732	7598	2031	3842	3376	17424	5943	0	2312	6536	4530	5285	1943	3064	0	7018	4051	9314	2641	5709	15606	4748	3734	4223	2212	0	0	2494	2160	3242	5707	5067	7361	3267	4196	0	3902	1833	0	7617	0	Phytochemical	0.04761905	1.2380953	0.0
16	C14 H30 O6	295.21152	295.2121	-0.09585969	295.2115	0	0	0	0	1606	0	0	0	0	0	0	0	11157	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6027	0	0	0	0	0	32108	0	8958	83808	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1552	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4347	0	0	0	0	0	1137	0	0	0	Lipid	0.42857143	2.142857	0.0
10	C15 H26 O2 N4	295.21286	295.21317	0.049104147	295.21286	0	3551	0	1284	0	0	0	6370	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5707	47539	12037	6201	0	4182	0	10172	0	0	0	0	0	0	0	0	0	0	0	0	2262	8447	2011	1541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34891	39181	78691	0	39489	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2277	1462	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.13333334	1.7333333	0.26666668
22	C16 H31 O3 Na1	295.22437	295.22485	0.5656413	295.22452	0	0	0	0	0	0	0	1740	0	0	0	0	0	0	0	0	0	0	1818	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1461	0	0	0	0	0	5240	0	0	0	0	0	0	0	0	0	2277	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26905	0	3205	0	0	0	0	0	0	0	0	0	0	0	0	32621	0	0	0	0	0	0	0	0	0	Lipid	0.1875	1.9375	0.0
26	C18 H30 O3	295.22678	295.22717	0.17866604	295.22684	328682	300566	330667	297115	387533	454417	756932	188027	72282	121013	259547	67428	140249	621414	96689	140279	166930	191741	244509	159200	120424	97811	67863	109647	90736	159555	736714	660321	173959	160769	106818	173269	284129	108345	120447	164819	92286	91110	176469	161024	208165	937844	105115	50592	81588	263475	170916	54324	320711	179394	318547	324202	200702	131260	92397	358228	1131526	177264	139188	215448	191618	106019	224090	72751	1519389	338937	604813	186700	126321	140026	102360	127118	91761	133774	94678	193504	95329	103196	91203	905234	65474	363599	222773	206684	1005392	2161092	152291	1084142	410346	126344	1107017	1108294	109009	183647	197939	63017	322983	353970	280197	731358	2417781	126703	66756	209686	303160	86369	1778464	52902	136641	403291	Lipid	0.16666667	1.6666666	0.0
24	C18 H30 O3	295.22678	295.22714	0.17159133	295.22684	1007262	1049457	973138	1012005	1090856	1910503	3669322	691669	45260	233365	268151	65935	343620	3464746	73825	388641	224829	605591	929106	396458	115287	115855	58227	248468	78465	593287	3719095	637787	277482	332752	201880	411478	303753	224186	106079	296839	142124	92437	266720	414999	281275	3096100	109294	20407	36125	670567	290470	37437	772833	547045	938156	996265	679911	132010	117804	1470626	3987547	461682	78424	494460	787984	108807	987455	76070	7247469	845804	2047096	280960	182035	454008	201656	452133	125656	214359	135324	340069	41216	72069	88725	972733	60758	433383	987966	1309834	3240700	5606564	138355	3258620	1559921	268998	3284943	3307824	225690	141750	424642	46805	987210	1110930	1175448	2969762	13886721	148911	64726	581301	161465	202989	5576419	24877	116408	624867	Lipid	0.16666667	1.6666666	0.0
18	C18 H30 O3	295.22678	295.2271	0.17911649	295.22684	3265	2034	3110	2562	0	2834	20186	0	0	0	0	0	0	2860	0	4140	5577	0	0	0	0	0	0	0	0	3052	18496	2394	0	1945	0	3016	0	0	0	2183	0	1813	5630	0	0	2444	567	0	426	0	0	0	5153	3715	3108	1709	0	2326	0	0	0	2898	0	3135	2771	0	0	0	4237	0	0	7305	0	0	0	0	1242	1729	4426	0	447	0	0	59927	0	0	19553	20832	2102	2229	2016	1404	0	16425	17380	8625	0	3018	0	441	3677	2951	0	1806	1649	0	0	0	0	1570	1570	0	3713	0	Lipid	0.16666667	1.6666666	0.0
20	C18 H30 O3	295.22678	295.22717	0.22219516	295.22684	31150	34650	31177	37607	7078	19155	230959	16931	0	5723	8740	3513	3510	73239	4810	21419	20547	6174	9352	9302	3884	6131	2642	8666	4530	39690	235501	27815	13443	15595	7447	21559	12415	12198	5030	14497	5937	5285	20212	15162	10820	22204	5716	795	1270	18337	7084	853	30271	22755	29185	30827	5956	10341	1851	11787	30128	22228	1136	16660	25297	2635	26081	1528	104955	11310	21354	20947	6760	21127	9926	13837	8822	12646	19243	17798	1014	2838	4115	598888	3079	12005	169091	232251	31326	71292	13951	30099	11687	36150	556168	220516	10832	45187	24057	4210	28447	32888	19014	60759	281006	9385	3892	19346	2876	6865	43354	835	5343	17361	Lipid	0.16666667	1.6666666	0.0
22	C18 H30 O3	295.22678	295.22714	0.18441027	295.22684	565165	621928	527175	609941	818681	1367204	1143884	618024	10155	63467	77677	21919	214120	1617341	22154	262188	86892	433702	490750	274760	23244	36657	17978	159368	26667	162691	1175870	190402	204690	240002	129701	279276	58329	168076	20000	198450	37949	29308	105632	281781	86213	2960842	49843	9713	7540	575885	150951	19553	467582	282149	619534	602848	462813	67982	39635	693314	2607518	350469	15869	245112	359507	19816	165243	30652	4703567	494286	1467957	123849	31416	275996	66373	345140	50249	94067	75415	141929	8376	31719	21822	850638	14965	84506	374713	567942	2323268	4465380	46096	3695823	1379884	125160	2573638	2619726	52050	92505	267871	32454	531513	657086	562782	3224274	10196271	40960	19497	241341	37262	34332	3502311	24210	33655	133553	Lipid	0.16666667	1.6666666	0.0
6	C17 H30 O2 N2	295.238	295.23843	0.18412352	295.23807	2327	1624	1423	1284	0	0	930	4134	0	0	0	892	0	0	0	2753	1114	0	0	0	0	0	0	1097	1116	0	0	0	7585	15392	5578	10874	2382	7927	0	14980	1364	455	0	0	0	0	0	0	0	0	0	0	5856	3483	1644	2628	0	0	0	0	0	1199	0	0	2722	0	0	0	0	0	0	1222	0	0	0	6655	21842	51968	4500	18577	0	702	0	0	0	0	0	0	0	0	2311	0	0	9846	0	0	1309	0	0	0	1937	1763	0	0	0	2049	753	0	0	849	0	0	626	0	Lipid	0.11764706	1.7647059	0.11764706
24	C19 H34 O2	295.26315	295.26346	0.17996162	295.2632	2999	4108	2747	4305	0	1245	88421	2052	0	0	5312	1353	0	53511	1932	1728	4603	0	1385	2008	0	2508	0	0	1274	10501	86308	9524	1420	2156	0	1231	0	0	1486	1652	1117	1768	5118	1469	8084	0	0	0	0	2708	4897	0	2765	1787	3304	4085	928	0	0	1990	4244	2154	1305	9086	6127	2318	12834	0	44954	1841	6231	6245	3887	3494	6910	0	0	0	2359	2015	0	0	0	13064	1606	7935	12708	19227	0	0	7701	1441	2512	4418	13081	6737	0	1196	3228	0	4295	3418	7849	0	0	0	0	8797	2094	0	0	0	1094	0	Lipid	0.10526316	1.7894737	0.0
26	C19 H34 O2	295.26315	295.26352	0.16937964	295.2632	20293	16636	17161	18454	5978	15655	175729	10413	6430	6284	41132	6443	5569	126039	8971	5032	14466	0	6144	9208	0	8102	4820	0	9557	28877	176125	163134	10334	12960	6397	8876	11353	6709	7334	10062	7763	13725	16108	8100	17478	13707	9057	7490	0	14459	15483	6551	11181	9430	19301	10871	8013	0	4893	19190	30006	6547	10978	24276	22841	11681	24805	5035	163662	7025	17871	15587	21228	14150	16473	8367	6169	6989	7599	12573	0	7912	8339	95970	7551	37974	27097	35670	11578	23992	19510	7497	11671	10892	47199	46741	5770	22212	14431	6818	18454	19695	30286	13272	38529	16904	6738	24214	18215	6679	23900	5994	16732	10209	Lipid	0.10526316	1.7894737	0.0
28	C19 H34 O2	295.26315	295.26355	0.22210482	295.2632	36090	21573	31598	30129	24231	25188	55532	32780	20269	23447	33092	21632	21299	31478	36530	22728	32962	22487	18413	26550	19707	23251	29832	26012	32464	41143	47918	63164	30481	33108	20887	25824	20672	26269	20421	33337	17982	27681	26515	22020	25552	29892	30344	31669	56103	29957	34062	30645	22418	36445	30928	27501	24434	59029	24184	73704	146938	24618	26877	30970	22674	28900	19375	20989	144861	19651	30090	20954	43464	20536	20039	28242	23637	30591	32244	27392	52540	24585	19488	50619	27239	30282	28278	32631	167233	157559	23310	25765	27230	18600	50370	61293	20502	30686	26882	32742	30624	39516	52630	112396	596737	25532	24707	33702	43196	21616	315768	33736	28263	19409	Lipid	0.10526316	1.7894737	0.0
14	C18 H34 O1 N2	295.27438	295.27448	-0.025802316	295.27438	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3291	0	6066	2115	0	0	26767	0	0	0	0	0	0	0	0	0	0	0	10476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4352	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3008	0	0	0	0	0	0	0	0	Lipid	0.055555556	1.8888888	0.11111111
2	C14 H5 O5 N3	296.03018	296.03064	-0.05079362	296.03018	2589	2750	1865	1952	3499	0	805	1415	399	299	1000	624	9630	3219	412	0	403	9298	972	0	0	761	569	1025	0	0	0	0	2980	574	2514	2507	3623	31951	500	1101	2077	509	0	0	0	0	910	0	0	456	0	0	2698	903	2877	2603	934	0	0	0	0	867	0	0	0	0	4089	617	0	22133	1212	0	0	453	0	31955	19955	853	0	1871	0	1286	384	0	330	0	468	636	0	457	784	23639	1979	0	0	0	0	800	0	0	3066	2168	602	0	0	858	930	296	228	1753	0	0	557	9649	Unclassified	0.35714287	0.35714287	0.21428572
14	C13 H13 O5 N1 S1	296.05872	296.0592	0.30781308	296.0588	10150	7050	10987	7124	8819	7621	3287	0	5945	21588	13868	0	7678	4002	2614	9240	4352	10188	9281	8768	15779	28333	5796	6234	5141	10976	3574	13040	1744	1161	3131	0	6873	4613	18858	2929	7931	3656	5886	27643	46942	4689	0	0	0	8610	15345	0	2901	0	9807	8067	7220	0	5092	4082	4013	10581	5785	9067	0	18345	8761	4224	3162	6389	3300	6230	0	17168	17071	2082	2549	0	3008	2107	0	0	4439	26892	3249	9342	6080	16128	5652	3840	9613	8101	7274	11238	27735	25295	12994	30847	43615	0	11515	7020	6312	6526	4827	7075	2773	12161	0	8757	5275	0	3567	13438	Organosulfur	0.3846154	1.0	0.07692308
16	C13 H13 O5 N1 S1	296.05872	296.05917	0.27769923	296.0588	6298	10764	6727	8939	8302	6682	3878	2298	4087	16578	10110	2967	10298	3162	2406	0	6477	7802	10225	11050	11672	24868	1903	6080	4151	4017	3296	7580	3279	1376	1825	0	6186	1816	15973	0	8913	2338	7279	24513	29171	5427	433	0	0	9000	9588	0	4823	0	11153	8870	6374	0	3537	2842	2528	10853	5648	11918	6640	15437	5106	5550	1980	6059	5338	6251	9337	9337	10741	1641	1517	0	2183	2404	0	1859	6054	24062	2093	5515	6899	17656	4106	3873	7517	5282	4079	0	26141	28759	0	26224	28972	0	8322	6972	2937	5472	3528	3941	1270	9518	7264	0	6248	0	4030	10466	Organosulfur	0.3846154	1.0	0.07692308
12	C13 H13 O5 N1 S1	296.05872	296.0592	0.3277929	296.0588	7620	7230	8316	8653	8060	4171	2223	2529	5964	16051	12851	1666	12030	3237	4520	7166	3395	10691	10189	9205	12455	28445	3341	5479	4758	9864	1516	9168	2170	2368	3161	4077	7629	1315	22194	2204	4000	1606	5301	26631	28514	4888	0	0	0	7540	11662	0	4164	1319	8530	8869	7238	0	6917	5380	2506	6768	0	8630	0	13575	5651	6326	2758	7996	4527	5145	0	18237	31113	2910	2125	0	2446	2320	0	1763	6370	0	3413	6627	5559	14484	6316	2927	4924	5889	3638	10996	15975	25050	7620	28529	30185	0	7720	6300	7173	7922	5816	3739	2591	6646	0	6147	6618	0	3037	14611	Organosulfur	0.3846154	1.0	0.07692308
18	C13 H13 O5 N1 S1	296.05872	296.05917	0.30664158	296.0588	1648	3338	4356	3285	6052	2756	3157	0	4021	8824	5391	1063	6807	2388	1344	1983	3160	5420	3228	3414	6555	15944	1125	2545	2992	2795	3999	6699	0	0	1804	0	2137	0	0	1965	3767	0	4271	9707	20640	3509	0	0	0	4162	4522	0	0	0	4610	2456	5097	0	4156	3222	2479	3593	3016	5206	3597	11354	4389	3134	910	2257	2609	2338	3686	2332	4004	1415	0	0	0	0	0	1148	0	11447	1926	6164	4080	4072	2154	2805	4448	2622	2864	6260	14498	17249	5330	14601	19963	0	5425	2514	2081	2038	2856	1844	0	4066	3018	2968	0	0	2236	5381	Organosulfur	0.3846154	1.0	0.07692308
18	C13 H13 O7 N1	296.07648	296.0769	0.21904762	296.07654	15038	16237	14594	13461	26327	17583	8896	13405	20165	8960	7964	8907	34592	16393	15663	20067	18501	32833	30187	4067	8211	27967	18262	13560	7721	1396	6712	4599	10416	7245	8474	13282	18873	10818	6601	10009	19033	14711	17419	6418	11794	14004	1888	1240	1530	2856	7396	1704	12653	9968	14236	10248	24144	1357	26784	20845	13250	13887	3640	7860	14714	5433	24695	24925	13993	32049	12718	16196	2371	0	3285	11439	10564	5794	11718	9302	1464	15054	20490	18089	15540	3203	2983	3624	26277	12569	18922	19560	21730	25808	6832	8644	25366	16983	17540	1721	15752	14595	15466	22609	21756	11967	8370	4599	1385	17462	19805	1110	11125	37152	Phytochemical	0.53846157	1.0	0.07692308
4	C13 H13 O7 N1	296.07648	296.0771	0.26314053	296.07657	8053	9779	8592	7617	15980	5188	2624	4864	17725	7670	7524	4866	25123	5031	3802	6486	6483	19408	15487	6740	9127	12377	5702	6578	1893	1851	2574	0	2601	3356	4600	3619	7055	2947	8908	3942	5757	4109	8382	7246	11594	9527	0	431	572	4189	6416	546	5048	3771	8384	8301	11231	765	20789	19804	8664	6698	3979	5661	5393	5588	35560	22892	8235	17248	8108	8383	4256	2732	5554	3139	2878	3451	1980	3137	338	3855	5382	0	4504	2554	2578	2543	17589	7595	4660	10734	9756	11094	1982	5062	12025	6070	6624	817	7710	10061	15274	24359	18722	6402	3476	6362	0	6938	11428	471	3178	36130	Phytochemical	0.53846157	1.0	0.07692308
8	C12 H13 O6 N3	296.0877	296.08823	0.27587107	296.0878	8974	7531	8969	9921	11228	5887	4016	5097	11491	1920	3521	6073	12524	4108	6156	7690	10429	13764	16672	4217	5653	13395	9017	7479	2150	0	4342	0	5523	4088	5559	4429	8957	6736	6058	3878	7777	5821	14126	5794	9387	7607	0	0	0	3464	5990	0	7605	8010	10201	9196	7850	0	13304	7698	6208	6274	4817	7137	7641	5950	18100	12166	7610	10166	7478	13490	0	0	0	3499	4824	1984	7302	3355	0	4240	7860	3411	4624	2173	3567	949	8610	4007	7597	10403	9795	21074	0	6091	19568	6257	2365	0	8304	8592	6159	10793	6681	10177	6436	5234	0	12600	7666	0	6129	18085	Peptide	0.5	1.0833334	0.25
16	C17 H13 O4 N1	296.09174	296.09213	0.20735744	296.0918	4599	7364	3397	3956	3492	2670	4363	2337	1867	8838	10789	1115	2167	3380	1276	4731	5548	3100	1863	7638	11354	6775	2330	3448	2092	31879	2886	8984	2035	0	2458	0	3693	1553	15012	1428	3314	1552	6940	12486	16611	3016	263	0	284	5713	12793	0	1978	1769	4707	4884	2615	280	2599	0	2284	1943	0	5561	0	5045	3884	0	1382	3748	4171	2723	23596	23285	43734	1839	2440	0	4092	2694	0	2079	1677	16140	5061	6877	2949	7934	3436	1557	3927	4946	4681	0	0	6874	0	13965	16254	0	2636	2386	3440	3672	4229	2454	1951	4066	0	0	1676	0	3052	1817	Phytochemical	0.23529412	0.7647059	0.05882353
10	C17 H13 O4 N1	296.09174	296.09222	0.20934395	296.0918	3410	2506	3626	3854	2127	1228	1536	2305	2978	8519	7224	1305	3366	2167	1993	1575	2579	2180	2901	9360	9740	2577	1850	2841	1098	20705	2112	5099	1957	1595	0	1769	3856	1768	4072	0	2476	976	3569	7078	14420	2244	0	0	0	4905	9634	0	2056	1916	4113	2901	2569	0	1806	2053	887	2340	0	1388	0	4006	2306	2387	1108	2313	2145	3466	20657	24169	37049	1195	1972	0	1272	879	0	745	3151	0	1773	2748	0	4305	1990	1569	2291	2532	2264	6899	0	0	3003	5600	6159	0	3880	2948	2453	2200	2790	2478	882	0	0	2117	1135	0	1648	1500	Phytochemical	0.23529412	0.7647059	0.05882353
18	C17 H13 O4 N1	296.09174	296.09216	0.26000592	296.0918	4580	3714	5482	5764	5165	3472	1125	2552	2604	16601	16611	2549	0	2622	1752	5249	5434	2770	5577	7596	13098	13034	2499	3335	2479	30259	1446	11499	0	1725	0	0	2785	0	9408	2715	0	1991	3556	7705	22937	4129	965	376	410	5025	12180	512	2541	1822	7087	3970	3730	319	3123	2418	2145	5885	1521	7639	2163	6224	4250	1223	2206	3879	2931	7367	25631	21029	41605	0	2237	1335	2181	0	428	2214	5948	24536	3273	5338	1982	9930	2191	1340	4938	6039	2906	11160	6585	9344	4864	17376	15480	457	5016	5171	5419	3163	1767	2511	1542	6471	4609	4367	0	348	5466	0	Phytochemical	0.23529412	0.7647059	0.05882353
24	C17 H13 O4 N1	296.09174	296.09207	0.21362466	296.0918	4119	4182	2380	3343	1321	1251	4256	7199	0	0	0	6361	1875	0	6783	4406	22620	1543	1942	0	0	0	5037	1610	3670	0	5277	0	8849	13330	6128	4540	1623	3575	0	11169	1592	7180	19709	0	1264	2840	0	0	0	0	1982	0	5502	12436	2294	1582	0	0	0	0	1130	2838	0	1208	5372	0	0	0	1357	0	2767	20756	0	0	0	7174	8983	10289	7266	19433	0	6069	3220	0	1996	0	0	0	0	0	8666	2824	3644	7250	0	0	2254	0	0	0	2996	2069	0	0	0	3036	5101	0	0	2495	0	0	5001	0	Phytochemical	0.23529412	0.7647059	0.05882353
14	C17 H13 O4 N1	296.09174	296.09216	0.20873424	296.0918	2325	3993	2839	4278	3338	3363	0	0	2429	12204	10410	1163	2403	3839	1436	2604	0	4746	2541	8784	10653	5178	1262	2803	1605	27364	1172	8427	2127	1903	1270	0	3041	1487	9136	2329	2865	1867	4476	7701	16888	2329	0	0	0	3599	9910	0	1730	0	4095	2356	2847	0	2746	2101	1866	1666	0	0	0	4418	3986	0	2930	4122	2645	3804	20324	24385	39685	1413	0	0	1779	2178	0	1019	3932	0	3373	3765	2346	4940	2773	0	4694	3172	1783	7022	3453	0	5588	6153	9565	0	3769	1921	1877	3635	2871	2251	1552	3967	0	2103	1997	0	1216	1860	Phytochemical	0.23529412	0.7647059	0.05882353
12	C17 H13 O4 N1	296.09174	296.0922	0.17858903	296.0918	3194	3107	2659	2622	4590	4224	2347	0	4154	11548	5892	0	3051	2156	1094	2238	4071	4442	6721	10875	17607	5615	1697	0	2263	30291	0	11421	0	904	1830	0	4634	0	8726	1146	0	1555	6378	9646	18347	2106	0	0	0	6699	10015	0	0	0	3371	3040	3525	0	2777	3303	2725	2352	0	0	0	3701	5503	2208	2379	4357	2964	0	23993	27618	42958	0	1406	0	0	1359	0	1436	3954	0	2767	3007	0	8344	4316	2380	2481	2624	1946	10590	2598	1989	3358	10354	8917	0	3257	5249	2086	2403	4451	1832	0	0	0	2093	3072	0	1504	4356	Phytochemical	0.23529412	0.7647059	0.05882353
10	C13 H17 O3 N3 S1	296.10635	296.10687	0.10405496	296.10638	0	0	0	0	0	0	0	2026	0	0	0	0	0	0	0	2254	1189	0	0	0	0	0	0	3782	1082	0	987	0	0	0	0	0	0	0	0	0	0	0	1090	0	0	0	0	0	0	0	0	0	0	1061	1272	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1404	0	1445	0	0	0	1124	0	0	0	0	3419	0	1111	0	0	0	0	0	1905	0	0	23886	0	0	6667	0	1899	0	0	0	0	0	0	0	0	0	0	1619	1077	0	2127	0	Peptide	0.23076923	1.3076923	0.23076923
6	C18 H17 O1 N1 S1	296.11035	296.11124	0.6323209	296.11053	0	0	0	0	0	606	0	0	0	0	0	737	0	0	0	0	0	0	865	0	0	0	563	0	0	0	0	0	0	0	0	0	0	0	0	1049	0	464	0	0	0	1017	0	0	0	0	0	0	0	0	0	0	0	0	839	0	856	0	0	565	0	0	0	0	0	947	1182	0	0	0	0	0	1215	0	31994	0	0	650	966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1026	0	0	1271	894	0	0	656	Organosulfur	0.055555556	0.9444444	0.055555556
6	C14 H17 O6 N1	296.11285	296.1134	0.19747451	296.1129	278989	319657	267172	300887	248512	170587	144200	254802	316447	397023	262856	169058	406460	97376	175983	309426	263272	420703	404899	355745	495953	424454	198585	312366	99601	156480	153106	148733	223718	207458	232157	248412	351140	245091	452237	234682	340050	163501	352683	273988	959072	210449	4311	1773	2656	266974	367414	2095	279553	217639	307085	318968	243895	3099	398538	227591	146215	273888	218777	330380	280510	245992	431145	298062	106807	312434	227962	364880	245826	284018	389321	213015	225386	203275	151416	211556	1935	150068	170178	126397	142743	189775	175354	157390	218073	168683	185072	234676	249426	373950	175249	271034	781818	266218	340447	3013	289020	264774	175208	226924	254067	320856	164822	326520	169694	284392	215479	1649	133492	554165	Phytochemical	0.42857143	1.2142857	0.071428575
4	C14 H17 O6 N1	296.11285	296.11343	0.17690428	296.1129	96476	109017	94087	98873	120855	74307	38517	85389	286712	113249	95590	59964	440826	55538	55605	91601	115737	357812	347968	120298	152239	147196	77508	89361	34092	48666	47836	45639	65544	62542	70853	71975	103982	62893	155902	74658	103691	54976	141336	108662	311438	104903	3680	2145	3312	87698	133089	2747	82071	73389	103387	87420	111412	2574	348314	286746	70937	87304	74069	118004	93880	72001	438084	344966	59615	324374	88626	119877	73133	57999	85164	61490	62392	65003	40365	67765	1804	53316	63109	44094	55966	57677	57540	40232	245718	76215	58948	109607	108838	212286	56019	74732	243272	85980	95871	5333	90774	112195	99962	366260	170268	105512	59600	116751	70423	87784	111060	2299	40377	571154	Phytochemical	0.42857143	1.2142857	0.071428575
10	C10 H18 O2 N5 S1 Na1	296.11517	296.11603	-0.2624499	296.11508	813527	704981	697618	663806	564885	453038	398657	610058	667122	999383	595655	441186	820605	253835	439497	883510	660231	1017205	939578	1065681	1231135	1246729	538065	792340	356341	515744	481519	527780	602316	558699	521547	632189	923517	587195	1204525	546556	855423	417752	804242	1192452	1098025	511342	14417	3741	5077	629545	612717	3631	672513	497750	739880	756629	584034	5979	963948	436172	293315	842869	603814	590503	823321	735077	691207	740705	262491	724483	487049	783046	720625	925338	943137	541020	540651	476000	593728	538247	3741	388501	488910	459105	440778	450156	451578	528142	443525	355303	515556	559846	578257	1086057	579543	793364	1259301	752232	1103312	8226	738119	750901	402760	425947	411316	790449	403655	740459	391047	984983	448432	4111	374823	1057425	Peptide	0.2	1.8	0.5
0	C13 H17 O5 N3	296.12408	296.12473	0.121274464	296.12415	12531	13521	12291	10920	11311	11877	3546	14411	13143	6742	4972	8707	14511	5137	6297	0	8406	18959	16733	7656	16307	13207	8741	11193	5499	2165	0	9929	16058	4486	9977	11492	21909	11956	10819	9464	14515	6257	13552	8354	11111	22814	0	0	0	4821	5257	0	14107	6348	13111	12460	13659	0	13767	7753	5232	17258	4929	6622	4414	4228	19623	13941	13984	14177	17467	16049	2426	4681	4517	10986	18400	9484	0	10232	0	6556	6032	90998	4656	2463	4626	1762	9393	6738	7541	14720	17907	10890	62566	25677	22888	14126	0	0	12710	13343	7151	7478	8178	12056	4735	8944	4117	18990	7545	0	4661	29330	Peptide	0.3846154	1.3076923	0.23076923
8	C13 H17 O5 N3	296.12408	296.12457	0.08822532	296.1241	44319	48706	38948	49929	23996	21490	30824	49970	26691	30240	22479	36994	28193	13461	46443	66306	57421	42530	47053	35513	34419	66148	46154	62971	37650	6150	37044	21018	42639	35791	45767	44237	52610	45256	38582	44784	53656	42703	68498	40067	50071	32574	733	0	0	43613	48946	0	58325	41910	37105	48292	30499	0	39178	15952	24999	55368	50780	48673	59648	24238	32677	31659	22575	34039	28034	67960	11227	17975	18929	49817	36494	32550	33918	37500	0	32742	48133	26323	34002	26706	34766	19458	23493	25220	46347	36438	35411	103294	43898	67604	109655	35295	31440	0	46954	50121	21775	16970	20552	50560	34140	55853	25397	60605	26350	0	40060	41722	Peptide	0.3846154	1.3076923	0.23076923
14	C13 H17 O5 N3	296.12408	296.12442	-0.06804652	296.12408	192757	4778	193173	196082	216844	172420	5322	6360	246793	282999	169923	99093	325758	114362	139731	176499	146970	338767	305617	312233	320261	199721	158680	156428	113515	278607	123358	156684	5033	135393	127404	170951	208640	132269	326060	7413	202177	119679	10290	263332	199939	147269	0	0	0	139222	125065	0	157317	123937	187576	181936	195961	0	355343	203312	127172	207286	140007	116080	0	172382	275590	277715	2792	234933	179962	140318	267135	377499	318238	125083	130439	136202	122562	133547	2202	4469	180020	123323	138795	119605	4528	159384	202788	131399	172648	139351	169944	202543	191018	191361	216856	133707	196797	5154	191767	183004	168513	215586	211208	180361	3498	189619	100543	9058	183173	0	111606	288190	Peptide	0.3846154	1.3076923	0.23076923
6	C13 H17 O5 N3	296.12408	296.1246	0.13181178	296.12415	67564	67668	58518	66097	33490	28659	48539	72761	41430	47286	33555	51320	40699	17240	67620	90477	83353	56867	67399	53317	61369	97529	63393	96472	40720	7047	41283	25130	59831	57914	65874	64583	81987	61272	62906	61637	77485	60260	101622	53446	85581	41150	0	0	0	59364	80737	0	75384	65258	70635	62406	39331	0	60071	23790	33834	76920	65273	85459	78028	45005	42821	40373	28536	49397	46834	107272	15802	22827	33679	59910	58459	53047	43318	51645	0	39965	51973	49079	47959	38465	48402	26694	39069	37789	58146	53044	45626	138945	46841	78727	153417	51308	53425	0	62003	62424	22474	22984	32795	72497	49037	77170	39071	85149	37403	0	51158	63207	Peptide	0.3846154	1.3076923	0.23076923
10	C13 H17 O5 N3	296.12408	296.1245	0.016782615	296.1241	30824	27204	27740	28261	17466	14202	24012	36272	18017	18487	10827	23800	18743	7027	26111	39742	32282	31089	29412	18612	16274	50175	28118	44873	29890	4294	21474	18513	23331	24741	22746	31479	36179	25759	23445	22929	36116	26659	40613	22500	29240	15527	0	0	0	22352	21392	0	32857	26441	27401	34829	22236	0	22780	9368	14384	44458	31600	25662	43976	15557	13194	18969	13476	20367	18054	39151	7314	8883	7208	29145	20616	16287	31177	21730	0	20853	28179	20843	26095	17716	25954	9054	16053	15538	31156	21050	17337	63877	45053	51610	72834	19189	22313	0	31144	30187	13011	9515	9712	30324	23651	32439	0	40536	13974	0	29245	26041	Peptide	0.3846154	1.3076923	0.23076923
4	C13 H17 O5 N3	296.12408	296.12466	0.11227109	296.12415	39383	43396	37193	37967	28396	18900	20981	42468	31724	31346	23370	31502	35466	10307	32172	45563	69701	39795	46401	35899	44938	62430	44666	48490	21372	6356	24120	16480	29675	28066	31914	30041	43441	25142	52629	34696	38985	34377	89902	44134	62634	28497	0	0	0	35824	55902	0	36418	39646	40117	35030	27161	0	43465	24816	25544	37144	38530	59052	44300	35337	43780	34563	27378	33314	24152	82549	17604	15395	23815	32614	30006	30120	24277	27950	0	25707	33753	24460	33564	25539	25961	15814	40412	30907	35092	37140	33518	77548	30141	43568	87929	32135	32241	0	36279	45061	27054	29951	30045	41477	31335	54857	29279	49602	30879	0	28697	53048	Peptide	0.3846154	1.3076923	0.23076923
12	C13 H17 O5 N3	296.12408	296.12448	-0.059079148	296.12408	9373	13482	15616	14659	10010	5962	14195	19501	6860	6525	4913	10057	7427	4072	11177	18597	18768	16578	15816	7236	7342	21097	16049	16089	12350	3444	9570	0	14291	9400	15055	14089	20226	10750	6487	11809	17609	12101	20289	8969	9481	8527	317	0	0	10700	8109	0	17669	12213	13732	10337	10097	0	10369	6008	8733	19373	9319	9464	19764	5285	8544	10764	6366	11219	10742	24458	0	4215	5729	14927	12458	8674	11880	8614	0	10282	17163	0	13790	7940	12005	4654	4783	7723	18236	9502	13543	43977	23826	26312	43718	7199	8197	0	13032	14671	5722	4906	6170	10634	10802	12598	0	19927	5594	0	16964	13282	Peptide	0.3846154	1.3076923	0.23076923
22	C18 H17 O3 N1	296.1281	296.12854	0.3064251	296.1282	3134	3040	2365	2992	1357	0	0	0	0	3977	12564	1584	0	0	0	1377	1749	0	0	3179	3940	3085	1648	2131	1197	22539	1961	9217	1423	2650	0	0	2232	1604	0	1906	0	0	2641	6181	16878	1392	0	0	0	3764	6754	0	1743	1891	0	2066	0	0	0	0	1659	3082	1592	3472	3843	4268	0	1042	0	0	3086	3379	24223	8168	20140	1788	1343	0	0	1175	0	0	2229	6535	1138	4091	2963	7502	0	1628	2144	2918	1908	4603	3188	2841	2270	4264	2927	0	2407	1933	2245	0	2553	2528	1536	1843	2817	1314	0	0	1418	0	Phytochemical	0.16666667	0.9444444	0.055555556
8	C18 H17 O3 N1	296.1281	296.1286	0.13415807	296.12817	2289	4537	2021	2655	1635	2307	1192	1920	1703	10181	9224	0	0	1506	820	2494	2211	1122	2063	8863	11148	2188	930	2565	2044	22745	2511	9203	1594	1756	1162	2289	2280	1767	9318	2480	2267	945	2003	4406	6104	2059	0	0	0	2448	2715	0	3481	1996	2128	0	1328	0	1005	960	1322	3556	0	1081	0	0	1247	711	1635	1079	1973	3860	14671	19394	21404	2046	1145	1439	2595	2203	0	902	2927	3524	1514	0	0	3365	0	0	1514	1528	1804	6644	0	0	4062	4517	9912	0	3022	2008	1587	878	0	2673	1411	1722	0	3133	0	0	2289	1718	Phytochemical	0.16666667	0.9444444	0.055555556
12	C18 H17 O3 N1	296.1281	296.12848	0.21723793	296.12817	1674	2113	3614	1485	0	2082	0	1215	1747	8669	9516	1831	0	1049	0	1531	0	0	2034	12431	13290	0	0	0	0	28736	0	10315	0	896	0	1636	2496	2002	4127	0	2382	1554	1870	3367	4184	1728	0	0	0	0	0	0	1917	1895	2000	2786	986	0	2080	0	0	2298	0	0	0	0	1581	0	0	0	1227	0	0	18633	28283	1815	1319	1056	0	1972	0	0	1800	0	1986	952	837	3002	916	0	3370	1458	1467	3850	0	2085	2400	0	5696	0	2257	0	1257	0	0	0	1075	0	0	0	0	0	0	0	Phytochemical	0.16666667	0.9444444	0.055555556
10	C18 H17 O3 N1	296.1281	296.1286	0.14666116	296.12817	3180	2654	3209	3820	0	2017	0	2347	1359	12450	12095	891	0	1447	0	3862	1644	0	0	12325	15859	0	1394	1585	0	30027	1137	13093	1715	2357	1241	1409	2985	1910	8314	2229	2258	1717	2177	3760	8732	2901	0	0	0	3694	3154	0	2454	1841	3965	2993	0	0	1414	0	0	1776	0	0	0	2029	1153	0	784	2125	1396	1181	18654	22342	30368	0	1585	0	1757	1556	0	1488	1472	0	1395	0	0	5697	911	1044	1410	2420	1329	4096	3107	0	4875	4664	9261	0	3306	2898	0	0	0	1700	1276	0	0	2568	1021	0	1134	0	Phytochemical	0.16666667	0.9444444	0.055555556
18	C18 H17 O3 N1	296.1281	296.1285	0.18727553	296.12817	4151	4264	2366	1924	1739	0	1084	3311	0	8605	12989	1709	0	1759	0	4077	2326	0	2563	8401	3248	4794	0	2137	0	32942	1808	14706	0	2854	0	0	5312	0	4970	1877	4799	0	2246	7206	15573	1924	0	0	306	3080	4350	0	1738	2909	4609	4218	2126	0	0	0	1409	2391	0	3828	3690	4779	0	0	1256	1836	2148	4625	33440	21161	42291	1931	1969	0	2748	0	0	1047	3074	9518	2855	4721	1730	7734	0	1358	3169	2244	2668	7822	3966	2576	3065	10147	7680	0	2630	2482	0	0	0	3833	1216	2266	2187	1849	1394	0	1307	0	Phytochemical	0.16666667	0.9444444	0.055555556
14	C18 H17 O3 N1	296.1281	296.1285	0.09398674	296.12814	2637	2970	2467	1794	0	0	0	2375	0	8435	11392	0	0	0	0	0	3552	0	0	8877	9146	0	1129	2412	1223	21662	1564	9418	0	0	0	0	2511	1854	3111	0	0	1170	2542	2871	8575	1258	0	0	0	3294	3975	0	0	0	0	0	1425	0	0	0	1339	1767	0	0	0	1467	0	0	0	0	0	2085	13308	25185	26897	1635	0	0	1514	1294	0	0	2937	0	1459	1549	0	4663	0	0	2826	0	0	0	3642	2351	3415	0	4626	0	2010	1979	1262	0	0	0	0	0	0	2785	0	0	0	0	Phytochemical	0.16666667	0.9444444	0.055555556
20	C18 H17 O3 N1	296.1281	296.12848	0.27162132	296.1282	3743	4615	5956	4297	3914	1601	2366	3716	0	2801	22431	2620	0	4540	0	2488	5696	0	2407	5226	7864	6326	2086	4055	1412	38373	2874	17135	2826	1986	3069	3604	2386	3451	6200	2899	2772	1565	4543	8450	20401	4641	501	0	0	3104	9391	0	2918	2301	4051	2872	3160	0	0	0	2923	1667	0	6410	2363	5615	2425	0	2912	2606	5493	8057	35247	20657	41215	1393	2504	0	3605	1766	0	2978	0	9749	1211	4340	2346	7390	2937	5778	2107	8101	7124	8115	2664	3158	4283	9966	7857	0	6216	6493	2116	1285	2381	5393	2459	7725	5765	2854	1677	0	1798	1461	Phytochemical	0.16666667	0.9444444	0.055555556
16	C18 H17 O3 N1	296.1281	296.12845	0.13812748	296.12817	0	3884	2080	2437	0	0	1707	1715	0	3334	11597	0	0	0	0	3357	2380	3396	0	7662	6355	3292	0	3474	0	30985	1002	10063	0	0	1566	0	5617	0	6039	0	5985	0	2315	5637	12712	1222	0	0	0	3619	3499	0	3012	2293	3891	3299	0	0	0	0	1107	0	0	4372	0	1729	0	1479	0	0	1701	1508	23776	25948	27718	0	1422	1289	2460	1575	0	1137	3963	7629	3104	1648	1165	3651	0	1262	2573	2128	0	0	0	2121	0	4244	8456	0	1705	3837	1616	1184	1266	6180	1972	0	0	0	0	0	1850	1615	Phytochemical	0.16666667	0.9444444	0.055555556
22	C15 H21 O3 N1 S1	296.1315	296.13187	0.24383824	296.13156	2657	4120	0	2527	205523	51867	0	0	1434	4475	3075	0	0	0	0	0	0	0	2334	9791	3266	3847	0	0	0	0	0	4309	0	0	0	0	0	0	5630	0	0	0	0	3355	4908	0	0	0	0	4139	0	0	0	0	2001	1265	47721	0	1742	0	0	0	2768	3850	0	3032	0	0	0	2858	0	0	0	0	0	0	0	0	0	0	0	0	0	5371	0	2486	1318	2282	4076	0	0	0	0	0	11880	6278	0	4260	8538	0	1865	2164	0	1132	0	0	0	2821	2214	0	8615	0	0	2855	Organosulfur	0.2	1.4	0.06666667
20	C15 H21 O3 N1 S1	296.1315	296.13193	0.40870288	296.13162	2012	5205	3445	1750	61449	10469	0	0	0	7226	5002	0	0	0	1696	3176	1598	8355	3511	9113	5953	5630	1256	2519	0	1805	1293	4972	1637	0	2406	1333	2058	1500	3370	0	2847	994	1777	9462	12201	1786	0	0	0	4910	7214	0	1665	1512	4075	2126	30237	0	0	0	1001	0	3747	7055	0	5234	3164	0	0	2223	0	0	2645	4273	2964	0	1197	0	1701	0	0	0	0	5803	0	3998	2726	0	7944	1325	0	2530	1200	2240	17803	14627	0	9713	12054	0	2521	0	2309	0	0	2501	1170	5568	2923	1734	17818	0	0	2748	Organosulfur	0.2	1.4	0.06666667
0	C11 H21 O8 N1	296.134	296.1346	0.35010722	296.1341	28594	27768	26919	25955	9685	62257	0	182943	4580	2080	0	40616	18737	9038	64498	5422	0	57037	29249	2163	12131	12635	45100	23309	48642	0	0	0	184427	0	181560	94389	213619	217842	7896	120217	91674	25761	0	0	0	39281	0	0	0	7882	0	0	117151	57488	24168	23921	27214	0	3608	0	0	115395	0	0	35987	0	14864	7499	0	0	89121	0	0	4750	0	251742	299376	184510	0	134057	0	83182	0	0	3397	0	0	0	0	0	0	86066	88330	3275	7622	2491	36433	0	0	0	27382	29265	1330	0	0	34978	0	0	0	82147	0	0	0	34521	A-Sugar	0.72727275	1.9090909	0.09090909
10	C11 H21 O8 N1	296.134	296.13452	0.09323625	296.13403	0	0	0	0	1964	2048	0	0	1487	0	4726	0	3845	5759	0	0	0	2343	1797	0	0	0	0	0	0	0	0	17041	0	0	0	0	0	0	0	0	0	0	0	0	0	1728	887	563	409	0	0	494	0	0	0	0	2380	770	2289	0	0	0	0	0	0	0	0	0	0	1508	0	0	0	0	0	1585	0	0	0	0	0	0	0	24233	0	0	0	0	0	1564	0	0	1825	0	0	0	0	14537	2762	0	0	0	0	0	0	1285	0	0	0	0	0	0	0	2666	A-Sugar	0.72727275	1.9090909	0.09090909
0	C12 H17 O4 N5	296.13535	296.13586	-0.054968204	296.1353	0	0	0	0	0	0	18141	0	2687	0	1626	0	0	0	0	0	36257	0	0	0	0	0	0	0	0	0	0	2092	0	0	0	0	8168	0	0	0	0	0	43583	0	1453	0	0	0	0	0	0	0	0	0	0	0	0	0	2598	2503	4252	0	0	1212	0	829	0	0	11616	0	0	37457	904	0	0	0	0	0	0	18289	0	0	4476	0	4553	0	0	0	9307	4431	4289	0	0	9062	0	2780	0	1312	0	0	0	0	2348	6153	9866	0	0	0	0	0	4461	0	7307	0	Peptide	0.33333334	1.4166666	0.41666666
4	C12 H17 O4 N5	296.13535	296.1358	-0.004581157	296.1353	11020	7962	8956	8525	3702	4418	20204	13960	3016	0	0	8277	9538	2540	11950	20442	59008	4296	7596	0	0	13620	15996	18540	22022	1935	19378	0	9670	7726	10560	6178	8974	7468	1666	5774	12266	12986	52942	0	2537	4594	2232	0	0	6230	0	0	13622	11890	8442	9734	3885	0	2851	7180	4173	14970	0	2206	14428	0	5186	3406	3190	8702	6470	63608	1486	1416	3049	13524	6350	3532	33919	5892	0	8696	19846	0	25000	1602	1390	1182	6560	4142	18874	5265	4203	40654	25334	4580	41579	1982	0	0	9112	10676	0	5358	7416	13829	8884	0	0	16845	5418	0	20374	4695	Peptide	0.33333334	1.4166666	0.41666666
6	C15 H21 O5 N1	296.14926	296.14975	0.11934604	296.1493	198949	225138	373464	204089	141279	105041	231852	421878	129103	299989	138950	108828	265216	105975	150978	459020	146153	176215	203088	319997	727334	581068	134970	232857	212394	150154	212372	114646	224735	175859	192980	439192	290660	210370	764678	420646	266711	127043	388936	223644	292103	99701	3190	1429	2334	204306	221811	1754	256981	184730	421002	202136	128999	2769	167579	114817	68858	483782	132948	191639	219268	152510	165043	114548	49024	192887	127369	413938	163797	249833	312597	181801	177492	390968	110585	363144	1532	121297	124086	92229	108662	261654	294626	140895	102135	85115	145086	114205	132988	491168	179839	240762	295036	319004	247613	1905	199139	194813	72734	113671	127669	248141	115802	266689	103252	412750	96720	1540	213518	218244	Lipid	0.33333334	1.4	0.06666667
4	C15 H21 O5 N1	296.14926	296.1498	0.107359394	296.1493	276494	297090	276292	280068	112062	76218	128278	262794	102546	184504	96319	80892	302042	53392	179196	261576	127201	279338	297886	214544	243579	449006	186940	279586	132274	108173	69656	67290	121866	204808	112802	120232	325384	107038	256709	124153	300350	81287	313582	196712	436730	80186	3640	2056	2528	142266	174643	2133	141418	116834	138615	116089	94648	1965	297950	305732	53118	137342	190058	289646	257362	128131	359146	233634	39746	240548	154788	145252	135356	156902	192748	104928	209196	237534	83720	225686	1750	162936	98083	78471	165806	89184	194580	89392	99615	62870	192416	80290	92315	281952	280010	161717	179923	120710	178789	3874	130561	153143	78269	129859	122180	146295	166692	192378	101029	230748	86908	1907	132842	347662	Lipid	0.33333334	1.4	0.06666667
20	C15 H21 O5 N1	296.14926	296.14963	0.2041294	296.14932	53385	38769	44138	45573	81290	56325	27351	45846	36791	32689	28433	31256	71024	39483	41048	52018	41178	80624	68886	49435	48795	47030	31693	58575	42377	18811	27629	32517	57075	43182	42877	47926	66148	60221	34837	43787	73989	29972	40596	42157	48403	41941	8728	4681	4453	35754	35132	4760	56201	32553	45698	44331	63539	3912	49700	42156	28019	59439	35243	30448	51550	28017	42450	40462	25052	56002	48940	38686	16925	22569	26370	42061	43111	38779	35731	37338	3936	30190	30248	43894	26358	23996	32226	25136	53477	30082	45131	47404	42129	48590	61791	58760	67716	38090	44543	5102	43101	50800	38212	42282	56805	63246	31347	54722	29816	53513	44470	4730	33393	66386	Lipid	0.33333334	1.4	0.06666667
10	C15 H21 O5 N1	296.14926	296.1497	0.10886389	296.1493	322930	301935	281259	274325	182001	157696	210616	349211	170538	390755	212571	198285	232496	90122	203353	382117	308378	300776	309103	577546	575144	449519	211714	388542	221709	466883	240210	183296	328041	274237	242046	287886	368510	279328	480501	300950	360782	182276	341219	440197	457735	183228	8513	2789	4145	320787	307230	2929	342067	279661	291713	315007	187972	4635	269275	146550	99298	372924	269096	303482	385248	253682	195489	180944	104713	217171	164093	345277	404370	523962	505152	273100	251921	262234	288865	269956	3272	177089	235043	209227	193316	244700	279778	242887	170090	134177	247351	177540	183845	395242	296568	367710	481938	271129	472357	4417	317019	331545	114650	131282	156607	355622	182943	415963	157046	282908	164677	3089	208939	249629	Lipid	0.33333334	1.4	0.06666667
26	C15 H21 O5 N1	296.14926	296.14963	0.30676892	296.14935	3525	4026	3903	4210	5866	4496	0	6952	7616	2514	0	4945	29207	10154	6110	7695	5489	11265	6637	0	0	3926	5046	6569	6573	0	2342	0	7099	7558	3996	4941	6025	5914	2895	7126	6160	4883	3746	4607	2653	7568	0	0	0	5417	0	0	5672	0	4156	5583	4393	0	6687	12055	6883	6816	3656	3629	6428	0	8307	5777	3054	18288	4226	5178	0	0	2057	5854	7681	0	0	6998	0	4662	8483	0	4753	3592	4898	2485	9741	0	4888	5468	5063	4610	8863	3716	6341	2521	0	0	6761	7495	2392	16759	19678	6488	5710	0	0	4207	4771	0	3501	11696	Lipid	0.33333334	1.4	0.06666667
0	C12 H25 O5 N1 S1	296.15262	296.15344	0.74984545	296.15283	0	0	0	0	0	0	0	0	0	1076	2277	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13361	1263	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2670	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20132	0	0	0	0	0	0	0	0	0	0	24849	8199	0	2653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.41666666	2.0833333	0.083333336
24	C12 H25 O5 N1 S1	296.15262	296.15298	0.3481119	296.1527	0	0	0	0	973	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1420	0	0	0	0	0	3925	0	0	0	0	0	0	0	0	0	0	0	0	5726	0	0	0	0	0	0	0	0	0	0	0	0	0	4882	1671	0	0	0	0	0	0	1112	25639	19494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1821	0	0	0	0	0	Organosulfur	0.41666666	2.0833333	0.083333336
4	C14 H21 O4 N3	296.1605	296.16104	0.06617476	296.1605	35712	36586	35933	32423	16258	17155	25786	46501	18852	32062	16074	23661	21251	16851	32268	46672	53913	30167	38140	43473	44444	58159	33791	53224	33924	20833	23318	13261	33609	28039	31851	35096	43317	33893	51252	39770	43940	28322	65681	43857	45180	18778	0	0	0	46018	46900	0	43449	37210	38315	31693	20261	0	27421	10792	13577	48823	20522	27352	43965	28280	21663	21470	13010	24401	18740	59625	18697	30931	28820	34415	31286	36073	29043	33395	0	26556	37330	30155	30185	20573	25389	23857	16436	17810	34613	24643	24820	66776	73295	68422	91191	29506	41159	0	33251	43208	17084	14944	12968	38760	27060	53840	28878	46515	16133	0	31314	28268	Peptide	0.2857143	1.5	0.21428572
12	C14 H21 O4 N3	296.1605	296.1609	-0.03530997	296.16046	11195	7207	10779	9310	5587	4710	7547	12975	5192	7404	3601	7137	3375	3739	8275	12494	13886	6582	7055	9808	9125	11919	6815	11200	8760	8282	8052	0	6800	7364	9387	10162	11125	8792	9716	8468	7326	7623	15107	6425	10864	4911	0	0	0	7053	8022	0	14477	7702	8026	9415	5594	0	3796	2132	2541	11858	6216	0	0	4966	3703	4413	2479	5287	4884	12670	0	12157	15398	7249	6992	6549	10505	6791	0	7312	9343	0	7856	8374	9814	4796	4833	2234	11252	4186	5792	27133	17359	16965	23230	3869	5058	0	10747	9613	2966	2811	2999	11388	5621	10262	0	11343	6295	0	10909	7300	Peptide	0.2857143	1.5	0.21428572
6	C14 H21 O4 N3	296.1605	296.161	0.1439868	296.16052	134637	132749	124163	119489	22848	502362	225137	202048	26603	42126	28669	166090	17344	23188	116930	236136	349833	41842	48995	54872	57916	79018	72499	133027	106063	15706	218009	28160	149979	223720	294480	131646	294506	95303	63818	101204	276820	109285	389111	48938	51191	159395	0	0	0	64136	55330	0	270153	158961	127536	135703	64083	297	29900	8862	66060	201251	23134	35307	198515	34764	20096	22986	47038	48285	103598	405479	25975	58013	57195	109793	66469	138681	176447	102443	0	136259	66461	39142	65018	28165	33962	35342	19090	55667	185761	94846	84999	204719	93107	68296	140630	34618	57102	555	126900	117884	21134	10888	11564	315127	129680	63708	28496	144332	14862	0	101501	26795	Peptide	0.2857143	1.5	0.21428572
8	C14 H21 O4 N3	296.1605	296.16095	0.08409126	296.16052	37671	38282	33052	34759	17767	16051	21929	43812	11990	30841	17367	23188	13993	8933	27087	47059	36673	48771	32052	45407	36687	62066	28316	49409	28844	21081	27835	16680	30884	28237	33962	35430	33947	34780	43825	32255	42993	24191	48432	37995	42244	18574	0	0	0	41081	35986	0	39216	36043	29878	34308	16722	0	14230	4941	12213	45307	15502	24913	49880	22509	11142	13426	9271	17253	14806	46806	16466	31907	35528	33332	31301	30633	28700	33834	0	21045	33791	25759	22713	21046	24430	24104	7952	8751	32228	18475	18979	78059	80385	51853	116173	24798	34194	0	40464	33222	7048	7655	5300	37475	24337	41687	12533	43874	10964	0	37554	16724	Peptide	0.2857143	1.5	0.21428572
20	C19 H21 O2 N1	296.16452	296.1649	0.17348588	296.16455	0	0	0	0	0	1365	0	0	0	0	3122	884	0	0	0	2456	1874	0	0	0	2147	0	0	0	0	17461	0	3323	0	0	0	0	1576	1266	0	0	0	0	1963	1291	4625	0	0	0	0	2615	1546	0	0	0	0	0	0	0	0	0	0	1655	0	1198	0	0	0	0	0	0	0	0	12312	5142	21324	0	0	0	0	0	0	0	0	1735	0	1149	1044	0	0	0	0	0	0	5189	0	0	2639	1677	0	0	0	0	0	0	0	0	0	0	1299	0	0	0	1161	1448	Phytochemical	0.10526316	1.1052631	0.05263158
24	C16 H25 O2 N1 S1	296.16788	296.1683	0.2339896	296.16794	6777	6314	6167	7778	628387	137804	0	0	0	0	0	0	0	0	0	1608	0	120192	12532	0	0	0	0	1879	0	0	0	0	1547	0	0	1891	0	8125	0	0	7466	0	0	0	0	2290	0	0	0	0	0	0	3008	0	6830	5833	37041	0	1347	0	0	0	0	0	2322	0	14735	0	0	1460	1067	0	0	0	0	9119	7383	0	0	0	0	0	0	0	0	0	0	0	19698	0	0	0	3903	0	0	0	0	0	0	0	6058	5781	8930	0	0	0	0	0	0	0	64061	0	0	28978	Organosulfur	0.125	1.5625	0.0625
6	C12 H25 O7 N1	296.17038	296.17114	0.10653912	296.1704	0	0	0	0	0	0	0	0	858	0	0	0	1207	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1844	0	0	0	0	1087	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1473	0	0	0	0	0	0	0	0	1002	0	0	0	23473	0	459	0	0	0	Lipid	0.5833333	2.0833333	0.083333336
14	C12 H25 O7 N1	296.17038	296.17084	0.033772998	296.17038	0	0	0	0	3091	0	0	0	0	0	0	0	0	2887	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5741	0	1334	1354	0	0	1310	0	0	0	0	0	1729	2427	0	6042	0	0	0	0	0	2956	1690	29552	5879	12803	0	0	1537	0	0	0	0	0	0	1054	0	0	0	0	0	0	0	3571	26827	0	0	0	0	0	0	0	0	0	1299	0	0	14995	0	1252	0	0	0	0	0	1280	1388	0	0	Lipid	0.5833333	2.0833333	0.083333336
2	C12 H25 O7 N1	296.17038	296.171	0.12000597	296.1704	2467	3570	2697	3009	8735	0	0	0	2228	1420	10179	0	3537	30014	0	634	3599	3943	4192	0	0	0	0	0	0	0	0	17279	0	584	0	0	0	0	951	0	0	0	1893	0	0	45011	0	0	0	0	0	0	0	0	2593	3065	9064	0	9148	906	16994	0	0	0	0	0	1301	24250	54124	27153	88326	5733	0	0	0	0	0	0	0	0	0	0	0	101993	0	0	0	0	14951	9738	0	2769	5244	0	13917	8445	0	20943	22339	0	3119	3293	1782	1095	1855	650	0	0	8050	0	4621	0	0	1527	Lipid	0.5833333	2.0833333	0.083333336
8	C12 H25 O7 N1	296.17038	296.17126	0.34218624	296.17047	1528	0	0	0	0	0	960	0	0	0	1451	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10895	0	0	0	0	0	0	0	0	0	645	0	0	0	0	0	270	428	0	0	0	0	0	0	0	0	523	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2271	0	940	0	0	0	276	0	0	5603	0	0	0	0	1267	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27751	0	0	0	0	0	Lipid	0.5833333	2.0833333	0.083333336
10	C12 H25 O7 N1	296.17038	296.17084	0.09375652	296.1704	11983	13560	15900	12449	4384	2934	3387	2882	2134	36787	23724	3297	4126	3180	1764	9220	2006	5056	1964	12802	7564	11321	2266	11601	1361	2031	13001	24661	0	5774	0	2505	0	1696	0	3079	2109	1944	2841	33936	31229	4476	115518	5764	5200	51353	74147	6392	4216	4209	15921	11983	2480	6472	2470	2072	3263	5102	91209	18751	133239	35475	5209	2365	44640	21420	7141	3666	8845	11387	50889	3461	3037	1887	3557	2465	8061	2627	2599	25762	2300	3615	1996	2383	3969	19033	1350	12023	3844	6553	11490	13228	7143	6452	71938	5140	14457	15490	3976	1116	3546	4562	2978	29540	1493603	2491	2612	9385	3008	4133	Lipid	0.5833333	2.0833333	0.083333336
0	C12 H25 O7 N1	296.17038	296.1709	-0.088525	296.17035	3844	4951	3208	5962	5656	0	0	0	2284	23484	37102	0	3573	24973	0	0	1335	3126	0	0	1264	0	0	0	0	0	0	114161	0	0	0	0	2317	0	13154	0	0	0	1320	0	0	20894	0	0	0	0	0	0	0	0	3607	4921	9624	0	2881	1234	17388	0	0	0	0	0	0	2767	23836	8092	47900	3824	0	0	0	0	0	0	0	0	0	0	0	358769	0	0	0	0	4760	4016	0	1660	2770	0	58070	18212	0	97850	11248	0	5618	4756	879	474	942	0	0	0	0	0	5423	0	0	4167	Lipid	0.5833333	2.0833333	0.083333336
16	C14 H26 O4 N1 Na1	296.18323	296.18353	-0.5297478	296.18307	3394	2888	0	0	0	0	1945	0	1564	1596	1377	1259	0	999	2209	0	0	0	0	0	0	3634	0	0	0	0	5278	17016	0	0	0	0	0	0	0	0	0	967	0	0	4162	0	2773	0	403	1641	3988	0	0	0	0	1466	0	566	0	0	0	3040	12565	15485	28491	3614	0	0	0	0	0	0	21993	0	3196	0	0	0	0	0	372	0	0	27514	0	0	0	0	0	0	0	0	0	0	0	0	0	2916	0	413	1762	1865	0	0	0	0	0	4368	0	0	0	0	0	0	Lipid	0.2857143	1.8571428	0.071428575
20	C16 H25 O4 N1	296.18564	296.18604	0.19868101	296.1857	83718	86424	78886	63444	71834	70670	72883	106253	40956	72405	58918	61365	66646	51037	57243	161335	126074	88757	101957	122864	113568	114272	45781	122530	73206	60002	70291	56637	117713	84978	69236	100616	116433	125350	68063	97862	110482	46351	124717	75444	88981	76773	4471	1030	1061	76502	97049	1916	107381	70328	75553	80575	64770	2428	45367	42892	37151	144334	53809	78024	125014	49714	61715	45707	32021	73326	70386	127442	60016	72900	75453	82277	119382	97325	118642	89478	1032	51026	73953	99871	34905	52155	73272	52955	55670	45551	110118	83465	76467	208537	160484	145596	171752	77215	106894	1388	83143	90459	46010	44778	56500	141778	50710	121785	59591	122094	60261	2002	69784	56308	Lipid	0.25	1.5625	0.0625
6	C16 H25 O4 N1	296.18564	296.18613	0.07655797	296.18567	149182	159564	142842	153493	44073	49814	78059	164713	35525	255751	78984	75059	50414	44392	84035	180127	107522	60155	94156	277096	269651	245414	81132	172551	85226	125688	73037	77147	144135	134419	167554	191047	192686	165935	344400	150901	199249	76806	132400	180587	119036	49092	1024	348	303	202847	132845	0	223782	129998	151136	155596	49279	503	50788	19205	23884	218683	10850	26772	192560	82348	47527	35442	20205	62405	62976	146818	102218	306273	223046	169868	154301	150370	111185	155720	0	84241	75634	67065	64194	35930	34576	106374	23127	26984	107385	50704	63536	261210	207817	148963	293057	100875	193543	611	145493	127832	21722	19380	23005	171581	82127	176588	64967	260020	25413	300	73458	68731	Lipid	0.25	1.5625	0.0625
2	C16 H25 O4 N1	296.18564	296.1862	0.07772488	296.18567	194569	210640	166400	185286	22919	44547	123584	304573	22865	181054	73499	136662	30931	17604	157138	327279	202680	48538	64698	230278	221755	409749	116916	279630	162063	100579	147864	58954	245913	242044	235314	262949	243861	202449	208696	265322	238180	122728	221977	203670	196222	65344	1011	0	313	152251	171657	321	305514	227616	183537	189944	41201	471	33859	13406	28080	304347	49988	70766	284225	100625	26097	29260	25495	44440	67582	253072	86961	153330	150973	250540	246281	272097	224447	226863	0	147930	163522	108703	112049	69970	94444	117963	17049	31716	191047	61869	80787	490824	333449	585218	690894	156915	335306	1029	191244	206236	17670	15768	17605	230649	119411	665804	85901	257879	14737	374	157933	32107	Lipid	0.25	1.5625	0.0625
24	C16 H25 O4 N1	296.18564	296.186	0.25781733	296.1857	12963	10995	13091	13231	27499	21036	6590	15277	14805	7700	8422	6349	29425	14658	10954	19409	10954	28038	28045	18179	16012	8130	11791	14163	11181	0	6592	8808	19815	13694	11960	13530	14559	15591	8494	16950	19770	11348	10459	10724	10352	16980	0	0	0	10505	7664	0	16200	8342	13482	11829	24052	0	23970	20395	13187	21996	18799	5673	19891	8773	17248	17662	9092	30525	30316	9362	2441	2802	1874	12396	12997	11763	9014	8975	0	11114	7922	9017	4305	6304	9517	6056	18354	19981	8749	15173	16599	12856	22863	21616	20901	6943	13117	0	11918	13692	16028	13588	13994	18168	5418	17363	18416	15812	18655	0	7889	15171	Lipid	0.25	1.5625	0.0625
16	C16 H25 O4 N1	296.18564	296.18604	0.15643847	296.18567	85977	88018	97051	91333	51479	45428	70724	112113	31895	106974	68378	63935	49394	37759	66519	156162	152488	71775	86191	148116	152192	106833	68548	125332	62471	158924	75442	64059	118584	119438	97094	124743	118047	104487	100977	125308	109651	48335	136664	90896	131098	65884	1704	1256	809	83558	113073	1204	134809	109869	99062	84281	55694	1838	40033	34941	29276	120377	44880	99064	118463	56975	46484	35652	30667	59228	57055	140894	141812	146480	161049	98986	103670	114250	152254	111481	808	59532	55355	83494	45575	60136	69207	73172	49045	39065	87715	77775	66738	207736	130445	111420	147545	87488	126707	1071	94215	106340	40956	25654	43391	137031	50772	103688	43632	100419	52653	746	66511	46636	Lipid	0.25	1.5625	0.0625
4	C16 H25 O4 N1	296.18564	296.18616	0.052793562	296.18564	195744	212472	187636	189880	46220	65905	117101	348700	37089	266163	78903	139507	50615	36574	176220	271198	185960	84084	113096	326339	292171	315384	156523	760367	215891	118490	129790	75591	258626	210829	265048	254387	291573	232634	351322	254618	300393	133290	212262	251266	177762	85357	1285	336	275	295551	190493	365	320385	283229	207359	160523	72194	556	55252	20704	39758	281202	35401	49130	273560	121655	55339	45160	29497	72344	85478	224739	95974	241076	180728	266374	221522	278034	172246	212779	399	197020	133580	103795	119092	59370	104304	135708	28788	41274	178729	89735	104505	249093	342834	265592	454430	143226	274950	1087	188758	218528	28356	22867	23567	246554	147405	354809	95041	239979	26841	459	161606	62649	Lipid	0.25	1.5625	0.0625
22	C16 H25 O4 N1	296.18564	296.18604	0.19884428	296.1857	42326	44435	40774	41810	82269	48327	34203	40750	29706	37083	31232	33284	44647	36970	30654	70420	59430	84703	49791	60581	68448	46542	35094	46423	36237	13262	33736	35548	61493	43691	37964	44393	63485	64947	33373	57945	77034	29728	53438	32357	39467	42193	2813	0	2058	33365	46491	0	52514	37047	48267	37118	54718	2856	44420	34840	29339	70638	30704	42222	61227	20854	56784	42682	24007	52738	52977	47830	13344	16997	22552	45813	42276	41910	49737	47283	1677	27625	32537	35745	20578	22469	27373	21434	49844	38220	45033	44658	42670	55757	79420	74782	57471	33688	62659	0	42302	51457	36379	56704	74361	85081	32477	58628	38584	53760	46492	0	34797	46686	Lipid	0.25	1.5625	0.0625
8	C16 H25 O4 N1	296.18564	296.18613	0.10853251	296.18567	90268	96895	80407	101229	35861	35328	67805	114276	34343	151370	57782	58289	40950	27910	65124	109019	93649	44636	72431	168923	164149	133617	57308	94934	62367	92165	68491	48243	106427	94953	98311	124848	134169	107725	222883	108044	123260	60696	123566	126324	94373	40792	615	0	542	89109	83868	0	147026	93956	90764	101157	41805	580	35515	18442	21650	114921	8012	32064	101762	51549	39299	32260	17701	47350	42765	114723	79948	185253	150873	107726	100554	95817	88544	108239	451	64727	59732	49446	49401	22967	24953	67338	22518	20372	72773	39290	46434	152145	139337	98541	203073	66163	107625	529	94681	99057	24830	18261	19160	112390	57456	106317	27361	99700	22944	0	61499	47359	Lipid	0.25	1.5625	0.0625
12	C16 H25 O4 N1	296.18564	296.1861	0.13919172	296.18567	44640	47365	44504	43672	22852	19983	34903	52781	19748	58445	32596	27049	21545	11894	29112	63000	61741	32864	41993	74109	87440	66596	29289	59359	31534	78312	27279	24504	52235	37391	41530	50484	57986	47021	74100	47137	42347	29978	61123	62408	66825	22437	730	364	662	56041	56090	636	60228	42198	43272	46413	24503	656	23449	13450	13503	63641	11059	35176	35830	29300	21218	15265	11320	27799	25482	61846	45963	86341	89837	38885	44725	46737	53765	45513	622	26799	29487	25162	25028	23506	19887	40152	12520	17126	41749	26687	26924	92989	68088	50451	83251	38698	61331	513	43743	51481	15172	14388	17101	46116	24737	40982	0	50672	16015	495	41686	22557	Lipid	0.25	1.5625	0.0625
14	C16 H25 O4 N1	296.18564	296.18607	0.10323859	296.18567	51180	56454	52818	60131	40750	37405	43744	53036	31045	68360	36498	35717	41635	31345	33648	73934	92090	52941	55516	88249	112275	59595	32937	58655	33684	129704	45425	37273	58451	59918	44723	62365	61494	51328	70077	68044	56299	27007	94225	64713	73461	37063	0	828	764	53952	59827	763	73410	53565	60189	47461	43193	1016	38746	38344	19275	77431	26436	52636	58565	33290	37181	30761	18996	36308	35389	87868	83474	94289	100698	46005	53712	56315	74937	57440	663	35956	41823	37681	32493	32831	43445	42137	36559	27960	54829	44811	42224	149515	98284	77619	90409	40421	88434	961	54446	60513	28071	35016	46883	68605	31252	59170	19002	63001	35951	559	45987	34934	Lipid	0.25	1.5625	0.0625
18	C16 H25 O4 N1	296.18564	296.18604	0.16830431	296.1857	110119	93433	96968	103522	75982	73589	88973	116376	37710	108294	94922	70048	73332	59286	69193	182365	168441	105947	115239	204970	195850	136321	66113	132427	72602	164357	86523	92221	125475	134704	88902	121556	128952	126341	109425	134268	135429	58563	161004	107526	137496	88156	3268	726	1263	99013	115158	943	143050	103570	109999	103764	70571	2248	66832	50087	44365	170576	62696	113977	147058	75693	54966	44457	43220	87714	76667	176179	137997	136104	160686	97558	90125	121524	168889	112074	983	60743	66755	129857	44837	74043	75998	85662	56559	60969	102092	87962	84681	260535	170336	157020	199246	98653	162391	1033	118943	122043	51997	41741	59710	150816	60288	125092	64845	112716	63307	892	83131	51638	Lipid	0.25	1.5625	0.0625
2	C15 H25 O3 N3	296.19687	296.19742	0.048513565	296.19687	11454	10605	10951	9130	2694	0	10058	17308	2478	8132	3169	7076	2634	1827	13377	13628	13916	4681	6422	8861	8358	12022	9452	15837	12634	1934	7030	3816	13622	12071	11260	14280	15683	12771	9153	14582	15058	9160	14317	9150	8694	4122	0	0	0	6769	7180	0	14154	11033	9564	10055	4277	0	4186	1008	2782	15848	1705	1625	13799	4933	2305	2851	2341	3282	5253	17938	2377	4317	4889	10763	13506	14602	12329	13033	0	7532	7920	6593	6774	3044	4048	6534	2246	3441	10176	6870	6879	22568	14491	12703	28025	4864	8502	0	10995	10246	1554	1170	1146	13006	8962	13920	4377	15238	1458	0	10203	3444	Peptide	0.2	1.6666666	0.2
8	C15 H25 O3 N3	296.19687	296.19733	0.10645896	296.1969	5014	5811	6205	6124	2192	1606	4891	6755	992	5404	3491	4673	1193	1664	3845	8880	8424	1869	3014	8390	8708	3210	2965	9865	4705	5198	4677	6056	8620	5841	4502	8041	7905	8999	8248	10538	10155	4561	10213	5953	2766	2230	0	0	0	4366	4173	0	10004	4662	5233	6869	2148	0	1098	0	1387	9736	0	682	5819	2907	2247	2284	0	2186	2288	11681	0	5124	5647	6326	5956	5321	6050	7342	0	4072	5556	6754	2669	663	742	3929	1204	0	4514	2664	2419	12167	21308	0	13551	3279	5043	0	5181	4673	998	678	0	8419	3966	3753	0	6919	0	0	5910	2096	Peptide	0.2	1.6666666	0.2
22	C20 H25 O1 N1	296.2009	296.20132	0.109891005	296.20093	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1734	0	0	0	0	0	4701	0	0	2035	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1539	5256	1117	2310	0	0	0	0	0	0	0	31174	0	0	5364	6153	6839	0	0	1503	0	0	0	0	0	0	2480	1314	0	0	2632	0	Phytochemical	0.05	1.25	0.05
20	C20 H25 O1 N1	296.2009	296.20114	0.037245657	296.2009	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1864	0	0	0	0	0	0	0	0	0	0	1694	1318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1668	17776	0	0	1367	0	0	0	1700	0	0	22756	5526	4501	6473	23651	18457	0	0	1952	0	0	0	0	0	0	0	0	0	0	2061	0	Phytochemical	0.05	1.25	0.05
26	C20 H25 O1 N1	296.2009	296.20117	0.24224576	296.20096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2260	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2292	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7524	5989	0	0	0	0	0	0	4339	0	0	25145	0	3095	0	8079	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3188	0	Phytochemical	0.05	1.25	0.05
24	C20 H25 O1 N1	296.2009	296.2012	0.19274795	296.20096	3273	1588	3586	2630	0	0	0	2963	0	1604	0	1827	0	0	0	2560	3683	0	0	0	1521	10154	0	3155	0	0	0	0	0	1906	1683	2283	2950	1878	1562	2263	1604	0	5613	4213	7316	0	0	0	0	4351	10221	0	2163	1636	2590	2708	0	0	0	0	0	2812	5094	12508	1173	1198	0	0	0	0	0	4234	0	0	0	856	2663	1892	1568	2132	0	2187	6152	13697	2197	4457	4413	1527	0	0	4478	0	948	68927	4169	6045	2454	19371	14904	0	2490	2121	0	0	0	2685	1947	10147	4674	1728	0	0	4281	0	Phytochemical	0.05	1.25	0.05
18	C13 H29 O6 N1	296.20676	296.2073	0.4313166	296.20688	0	0	1681	0	0	0	0	0	0	0	0	0	10494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	314	0	0	0	0	0	0	0	0	0	0	0	0	0	13123	0	0	0	0	0	15929	0	37860	87211	9460	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10827	19619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14522	0	0	0	0	0	0	0	0	0	Lipid	0.46153846	2.2307692	0.07692308
12	C13 H29 O6 N1	296.20676	296.2072	0.09431173	296.2068	6888	6063	6434	6688	1658	1410	0	30458	0	8873	0	0	3001	1102	0	20527	0	1198	0	32230	1625	0	2902	5316	0	0	0	0	7668	3475	34557	55948	4686	6991	2192	6211	3772	0	1813	38549	0	3060	2983	0	0	35155	29839	0	27415	13192	5932	5466	0	4356	0	0	2618	14757	0	0	0	2750	9389	186398	0	3012	1070	0	0	98988	4944	7391	17048	6282	3463	10108	0	0	0	0	0	0	0	0	0	0	0	0	1670	0	23414	0	0	0	5505	0	5463	16255	2163	0	0	0	9587	708159	0	3740	0	0	0	0	Lipid	0.46153846	2.2307692	0.07692308
6	C17 H29 O3 N1	296.22202	296.22253	0.1260118	296.22205	30911	30910	29069	28880	5376	8260	22238	65524	3048	25736	10207	21206	3936	6078	23752	67052	17553	8057	12388	25021	23907	27844	16090	163125	33195	7538	26015	7378	49763	63889	53422	51879	50313	39289	28641	45358	49234	21585	25711	14212	5546	11576	0	0	0	31281	10354	0	66896	62044	29146	29713	11730	0	7326	2128	5596	72847	0	0	67368	5194	5137	4492	3880	6803	15867	28519	4409	16991	11819	63203	39641	69705	34813	46785	0	25532	17875	7627	15406	1463	1769	12232	1445	5311	76739	9902	13045	99622	64244	13831	59691	15235	27923	0	32169	26525	2503	1564	1467	40730	24912	27462	0	38402	2587	0	23758	3679	Lipid	0.1764706	1.7058823	0.05882353
4	C17 H29 O3 N1	296.22202	296.22256	0.081373565	296.22205	37153	43747	41030	39429	2411	4634	18505	56677	1267	14408	7425	20609	1322	2280	20597	75139	27523	5683	8317	20516	17837	124669	19193	73825	34287	4086	25923	7780	40404	34323	42624	43903	36383	34445	20807	37821	33948	16659	30033	15311	7245	8037	0	0	0	31008	20389	0	53382	49638	41991	36392	6206	0	2941	1402	4386	124237	0	0	91683	7712	1061	2855	3419	4658	7219	39348	3966	14801	7218	64961	31441	38929	41067	31249	0	22987	31347	14590	22262	2794	2978	11748	1458	3648	38265	10984	10953	231600	47185	15036	259670	13366	26138	0	39869	43430	1593	978	1930	32273	19709	28190	5711	79776	1433	0	44347	1060	Lipid	0.1764706	1.7058823	0.05882353
2	C17 H29 O3 N1	296.22202	296.2226	0.10334837	296.22205	9893	8648	9043	7651	0	0	9955	49900	0	6630	2789	10555	0	305	9411	111244	14481	784	1421	9011	6606	8686	7646	92267	49634	2773	9822	1774	17933	17720	22281	18024	10874	11311	5615	18870	12661	7277	14764	6489	3872	0	0	0	0	9434	3472	0	32821	34252	8366	8709	1098	0	306	0	830	44555	0	0	74418	2761	0	404	0	0	4044	12695	1985	5335	2813	19409	13414	19058	19210	14917	0	12175	13075	11660	5888	0	1898	4098	461	1919	10332	1614	3719	33015	15033	6904	161817	6042	12754	0	10811	13713	0	0	0	12974	6486	13474	2433	73001	235	0	31454	0	Lipid	0.1764706	1.7058823	0.05882353
12	C17 H29 O3 N1	296.22202	296.22244	0.13826734	296.22208	10159	13071	10653	12521	3632	3404	19854	23944	1518	6347	4391	12599	1261	1679	15840	28966	15195	2029	4651	8530	9081	5785	18383	29493	22516	4921	28787	0	18605	19181	18989	18045	30239	14610	11679	13944	22845	13256	21693	7510	0	3182	0	0	0	12898	4711	0	21363	20310	15864	12928	3669	0	0	0	2574	27475	0	0	17179	0	1734	0	3141	2488	4571	22339	0	10347	3120	16118	14159	18072	15385	17203	0	12774	19516	0	11673	0	922	4578	0	1319	174580	3852	6714	162839	46949	2765	44252	3249	6420	0	13058	12590	0	1163	0	14957	13968	7042	0	18488	0	0	25482	1399	Lipid	0.1764706	1.7058823	0.05882353
8	C17 H29 O3 N1	296.22202	296.2225	0.14207014	296.22208	70777	78946	70106	69577	5852	9322	62009	441624	4788	20074	19539	196650	5088	5206	20013	215342	46801	7025	14928	34448	24984	32000	15174	161979	42455	11446	86847	8581	135326	351492	250495	149774	76327	42069	33144	163250	81421	19670	52237	14975	3619	13745	0	0	0	31089	10434	0	303100	536125	64042	67526	8641	0	6173	2119	7608	168495	0	0	195817	4324	5230	11143	15057	5714	14723	64484	9155	27572	17852	126828	77695	225139	120800	181879	0	151332	13950	7192	9142	1020	807	12416	4931	3668	66761	9418	24412	74971	54373	7085	122429	7732	20647	0	57725	68959	3018	3036	4076	69079	158848	12615	0	52450	3000	0	22351	4256	Lipid	0.1764706	1.7058823	0.05882353
22	C17 H29 O3 N1	296.22202	296.2224	0.1992653	296.22208	9049	12771	10695	8333	9476	10507	8472	12370	1671	20745	13464	4067	5176	13753	5157	17293	15769	7189	7461	12019	16398	8093	11264	8658	7344	41185	7605	14379	5770	16852	5713	12381	14841	10798	15314	14316	7477	5409	14202	10159	17515	12408	0	0	0	15026	20220	0	23019	44811	13219	12817	5107	7775	3304	3320	3455	19690	3780	22357	12659	5526	8558	1820	2755	16409	10347	22532	23787	21975	42931	10278	8811	8799	14781	19600	0	2639	6615	22393	7628	10715	6881	9118	3116	3928	11366	13315	7041	27634	30133	13977	15654	8680	28752	0	11323	11192	5388	4336	4540	7531	3074	10891	7608	11697	4393	0	8317	23057	Lipid	0.1764706	1.7058823	0.05882353
24	C17 H29 O3 N1	296.22202	296.22238	0.20526068	296.22208	66096	78557	68314	70501	55620	58423	191410	50440	23674	61482	334078	49347	19632	48111	66070	60488	303309	22165	42551	50143	55058	27883	36362	52447	70021	244793	640126	429168	107346	35325	34251	47199	53561	58236	89026	49097	36809	29752	90369	37301	110826	59372	44965	61127	68464	102917	350427	66143	65004	73412	69302	73748	37247	77195	28224	48908	52066	49939	36123	158226	51108	29566	13775	30661	41939	32415	67390	86611	27289	11807	35294	52296	56101	52042	42903	51852	54062	49670	27317	233174	39727	741845	78102	69670	74454	67039	72771	69278	94632	63464	64245	58636	25678	77517	60996	67552	75863	94383	58492	23022	41876	67245	44793	75603	455751	39156	58554	71479	115500	21518	Lipid	0.1764706	1.7058823	0.05882353
14	C17 H29 O3 N1	296.22202	296.2224	0.16122532	296.22208	7728	7612	8291	7643	1438	1390	7567	15086	0	2592	1873	4489	0	1191	6500	17015	11486	1958	2774	3831	5485	6058	9852	17294	7283	3245	7059	0	9912	9751	7558	8261	16291	9267	4962	7562	12248	6186	13096	2026	0	2602	0	0	0	3684	0	0	12390	10249	7771	9077	1876	0	0	0	1645	16207	0	0	0	0	0	0	1468	1228	4017	13629	0	2419	3683	12069	9444	7578	6716	6980	0	8886	18698	0	8803	0	0	1776	1878	0	460205	3433	1995	85565	32847	2241	23251	0	7003	0	7333	10490	1275	0	0	11887	7647	2784	0	11964	902	0	11666	0	Lipid	0.1764706	1.7058823	0.05882353
10	C17 H29 O3 N1	296.22202	296.22247	0.12952276	296.22205	19623	19438	16621	17438	5103	4289	16297	26523	1661	17425	7450	12625	2301	2595	11953	40012	14148	2875	6670	16437	12528	14711	14527	33587	19124	6121	21053	8932	20173	21657	23736	24354	23809	32800	16100	20184	22696	10684	17486	11435	7146	5738	0	0	0	14638	10895	0	29956	25094	18880	21731	3346	0	1420	2153	2552	33047	0	3112	38853	3353	1206	2092	3178	6301	5840	21118	0	12409	8960	46620	24722	20273	16580	19921	0	15018	29036	10490	9780	1059	0	8969	4159	2286	396810	6541	6702	106177	50051	3317	38672	8265	13963	0	18515	16513	3832	1299	3369	24025	13282	9238	0	24520	2212	0	19419	2711	Lipid	0.1764706	1.7058823	0.05882353
14	C16 H29 O2 N3	296.23325	296.23376	0.22193386	296.2333	1945	0	2153	0	0	16414	0	2201	0	0	0	1375	0	6746	3302	4776	0	0	0	0	0	0	1931	0	7564	97729	2215	0	1553	0	0	0	4053	0	0	2748	3461	1999	0	3371	0	1377	0	0	0	0	0	0	0	2023	3797	0	4289	0	0	0	1737	1793	0	0	0	1546	0	0	0	0	3487	3137	63504	91719	102650	0	0	0	1592	1073	0	957	1910	0	0	0	0	2427	0	0	1312	0	0	0	0	0	3884	0	0	0	3078	3016	6519	0	0	3371	2166	0	0	4877	2852	0	2584	0	Peptide	0.125	1.8125	0.1875
20	C18 H33 O2 N1	296.2584	296.25882	0.27022237	296.25848	8933	6220	9704	9649	3491	36403	0	3697	0	55166	0	0	7817	11168	0	18959	2512	7341	0	0	4905	0	0	0	0	0	0	0	1867	22970	4187	17325	32820	2132	11939	9476	8077	0	0	9650	6987	31378	3263	1972	2750	15494	15133	0	75846	98925	7784	9894	1057	18210	0	0	0	9392	0	95613	7208	0	11787	0	0	37442	0	12822	0	0	0	4072	1393	2117	5029	81694	684	0	0	0	0	0	0	0	0	0	0	32978	0	7833	28678	0	42861	0	81190	1552	6229	7514	0	0	0	0	0	0	0	0	0	0	0	97499	Lipid	0.11111111	1.8333334	0.055555556
10	C18 H33 O2 N1	296.2584	296.25873	0.07531038	296.25842	0	1126	0	0	0	0	14541	5743	0	0	0	1936	0	0	0	4992	0	0	0	0	0	0	1307	39232	6402	0	30041	0	1596	0	0	0	1655	1137	0	0	3698	0	0	0	0	0	0	0	0	2685	0	0	1331	2112	0	0	0	0	0	0	0	2882	0	0	8643	0	0	0	0	0	0	1355	0	0	0	1814	0	0	0	1118	0	3575	0	0	0	0	0	0	0	0	0	862	0	3179	0	0	10798	0	0	0	0	0	0	0	0	1489	1433	0	0	9897	0	0	1542	0	Lipid	0.11111111	1.8333334	0.055555556
14	C13 H12 O6 S1	297.04272	297.04318	0.26800138	297.04282	11235	11791	6435	7454	15835	14627	2262	0	13782	16990	14747	1495	24498	5449	1423	2343	0	19604	11656	7738	9664	25422	2029	0	2450	7663	0	8051	0	0	1942	0	3069	0	18553	0	3019	1072	2482	16015	18222	3890	0	0	0	3226	5930	0	0	0	6280	4371	7916	0	4499	11754	5024	3166	0	7381	0	10541	9431	10051	3690	12660	4339	1929	15224	8806	10902	0	0	0	0	1242	0	1672	2863	24598	1267	4154	3696	9498	11891	4429	5631	5281	4394	3846	17931	23722	3675	23478	35378	0	5997	5977	8863	15326	11888	2378	2094	4157	0	2284	11749	0	1351	17903	Organosulfur	0.46153846	0.9230769	0.0
18	C13 H12 O6 S1	297.04272	297.04318	0.30901986	297.04282	5349	6380	3478	4160	14277	12202	0	0	7937	4953	2265	0	17808	6457	2804	3383	0	27198	11933	0	2536	10261	3138	2914	4080	1512	1669	3065	0	1831	1810	0	5522	0	4167	0	5078	2632	2505	3907	3984	6072	0	0	0	2826	0	0	1633	0	2370	4812	9423	0	8700	5848	4598	4026	2043	2298	2976	3316	4965	6672	5354	10327	6023	3127	2373	3489	3903	0	0	0	1593	0	0	1109	2570	8134	2471	1189	1832	1755	5722	5851	4485	5899	5170	3081	12695	15700	4649	8139	8201	0	5014	3426	7822	7871	5414	3469	0	0	1793	3835	5515	0	2581	13768	Organosulfur	0.46153846	0.9230769	0.0
12	C13 H12 O6 S1	297.04272	297.04324	0.26426262	297.04282	4150	9027	6182	6092	10554	6072	0	0	9007	16739	20620	0	9190	3911	0	2105	2439	12575	7592	7105	11829	18207	0	0	0	8238	0	0	0	0	0	0	0	0	23343	0	1907	1230	2148	13558	27899	2292	364	0	0	2450	7921	0	0	0	4478	6846	6791	0	6274	7951	1722	2412	5643	7915	0	11560	3734	5499	1927	7519	2438	0	0	10100	21476	0	0	0	0	0	0	883	1977	16351	1836	3322	3397	8189	9548	3268	2965	3251	4683	0	8035	15668	3262	30788	34612	0	6417	3938	7453	9191	7218	1587	0	4916	0	1980	9683	0	1115	13306	Organosulfur	0.46153846	0.9230769	0.0
16	C13 H12 O6 S1	297.04272	297.04318	0.25846002	297.04282	6163	8872	4140	6189	17972	13633	2237	1752	14837	11203	11424	1363	23763	6221	2319	2249	2382	28742	20054	6760	7583	16878	2641	0	2374	4720	2186	5616	0	0	0	0	4509	1988	13654	1457	4782	1635	2942	11218	7739	5247	319	0	0	2432	3237	0	0	0	7349	8421	11935	0	7909	8617	4826	6591	3021	3695	0	7155	7188	11789	5642	14534	5852	2117	4605	6784	4677	0	0	0	0	1181	0	0	1971	16877	1220	1910	4668	6813	11363	5646	4837	6932	8788	0	22884	18832	0	19430	22313	0	6249	8743	7727	11198	9692	3171	0	6103	0	0	9952	0	2480	23743	Organosulfur	0.46153846	0.9230769	0.0
4	C13 H12 O8	297.0605	297.0611	0.2679963	297.06058	5505	6965	3961	5770	14647	6280	687	1142	14838	1795	3070	1262	31002	4881	1521	1348	1470	12927	15626	2488	2808	2801	3409	1211	713	616	1340	0	976	1252	1460	1733	4320	918	3313	1685	2343	2149	1270	1299	1742	4810	0	316	606	1368	1679	614	1067	1135	5797	4665	10104	467	14164	21226	6185	1829	1700	1924	2377	1080	29522	16811	6096	18531	5188	2458	1500	0	1787	806	1445	1000	0	1637	338	1115	4179	0	2716	1018	1180	683	19343	5247	3679	5525	5595	1628	0	749	1683	3331	1475	919	4826	4873	15026	39128	28297	2716	1634	1422	0	1635	14051	314	1075	31341	Phytochemical	0.61538464	0.9230769	0.0
20	C13 H12 O8	297.0605	297.06088	0.24168341	297.06058	3654	5260	4644	4807	13440	12955	3252	3276	13382	2996	0	3394	16663	10543	6979	0	3183	20549	10048	0	2136	5683	4467	2506	3097	0	2710	0	2469	2134	2146	2554	5886	2243	2267	2427	6943	4602	3192	1551	2542	5900	1450	892	1461	0	2561	2669	3883	3816	6869	5571	7444	1225	17131	14077	8149	2347	1552	1291	4261	1648	24511	14279	4165	19451	4306	2734	0	1479	0	3866	1601	2246	2632	3905	1395	2332	8690	5157	7602	0	1157	0	11448	7463	6215	5604	6907	1951	3367	0	3616	5115	3358	1269	4485	3593	6841	14783	17404	4988	2577	2441	3268	3036	8296	1536	4151	29732	Phytochemical	0.61538464	0.9230769	0.0
14	C12 H12 O7 N2	297.07172	297.0722	0.29251656	297.0718	7298	3757	7656	6349	8190	9751	6701	7977	8304	2774	1772	8301	9211	3525	6386	12090	11925	13483	14267	0	2703	17723	8626	10406	5229	0	5122	0	5535	5392	8244	6884	10233	6761	0	7471	10997	7629	8245	2273	0	11299	0	0	0	4871	0	0	6856	5997	10130	5648	7747	0	8010	4193	6811	13344	0	0	0	1198	13776	8086	7333	10090	7982	12097	0	1535	1577	7193	5064	2236	6400	4644	0	8920	7671	0	8291	1074	1626	0	6491	4138	8366	15776	14650	25389	0	5613	19286	4894	3140	0	7618	5228	4105	2439	4123	14721	9509	2296	0	17149	4549	0	7684	15973	Peptide	0.5833333	1.0	0.16666667
12	C12 H12 O7 N2	297.07172	297.0722	0.2455706	297.0718	7133	10378	12225	8636	15234	11368	4866	7145	13657	5476	5664	8846	18101	4977	6519	11393	13704	22070	17999	2056	8113	16750	14926	6013	4358	0	6016	0	6401	5049	7089	7491	18248	9142	6014	8473	14561	7138	15873	3300	9595	14221	0	0	0	4298	0	0	9571	4799	13468	9585	14573	0	19128	8344	10271	10522	0	0	0	5567	28997	19724	9768	19582	11275	17212	0	1574	1644	6207	6016	5082	7921	7127	0	6510	10707	0	6902	2583	2235	1463	12043	6218	11224	20386	17095	27236	5139	9813	24902	10798	6619	0	11212	12888	9770	11704	8276	17915	8699	0	0	18562	8170	0	7788	36591	Peptide	0.5833333	1.0	0.16666667
12	C17 H12 O5	297.07574	297.07623	0.30051503	297.07584	11409	14547	7785	9463	9249	5120	7763	7408	9940	18816	21415	4100	9795	7623	7732	7290	9220	11952	16542	22005	12125	21115	10106	13976	4633	18046	6282	12046	7859	4803	6007	6387	7641	4282	24865	5421	5752	7413	7281	11257	16586	6588	507	495	743	11007	13572	970	4340	6223	13185	10541	10410	441	10235	10023	7835	11183	5671	8271	0	5631	13588	9909	3890	14957	7186	9012	0	20203	30260	5921	6228	3499	7888	8196	555	7187	12442	0	10256	12520	5111	6371	10257	6515	16443	5895	9017	17105	7661	11766	10628	9699	18456	1360	11989	9767	10103	11497	10840	8362	7325	6917	0	8480	7911	349	9013	14684	Phytochemical	0.29411766	0.7058824	0.0
22	C17 H12 O5	297.07574	297.07614	0.2406606	297.07584	16893	17498	12373	15367	18087	11627	10788	12128	23666	24129	21997	11563	16493	8390	10076	18833	14491	23758	29744	16429	24120	27122	15633	15322	17667	18594	12414	17545	7370	10144	6923	7536	12368	5932	22153	7648	12029	9855	17063	12944	21448	15380	2880	0	1538	18802	20790	0	11549	10942	16419	13459	14647	2815	16139	11553	14659	13542	6660	11303	13410	9192	25359	16296	16461	26481	21276	20441	20509	16465	26043	9294	6803	3918	9003	11547	1821	11500	28201	25535	20489	15806	6703	14492	27946	18616	27507	19944	19584	36329	9683	12843	21716	27165	22196	3514	17949	15750	16450	19726	20494	12166	8061	9834	14629	18928	15207	0	22391	21332	Phytochemical	0.29411766	0.7058824	0.0
20	C14 H16 O5 S1	297.07913	297.07953	0.25726524	297.0792	12706	13050	17308	13498	19364	17648	3983	3964	21453	29185	14434	0	25968	13962	6563	9095	4273	33563	22518	33032	31779	29929	4164	4930	14569	13942	5557	21801	5083	1574	2795	4476	6721	4167	39512	3564	11098	3867	4685	26147	19410	10555	408	0	0	13565	11411	0	3365	2606	7765	15856	15611	358	15216	13577	6521	12029	16888	10793	3165	20730	10833	12739	8440	19772	12528	5329	9240	10935	11139	2507	1278	2788	3167	3198	365	2512	7409	23638	3722	12975	10867	14274	13573	9244	11391	9383	11512	9065	53659	63361	9118	27359	39681	0	12478	14281	16458	12027	12177	6376	2554	22375	10595	6955	14013	0	5345	26573	Organosulfur	0.35714287	1.1428572	0.0
10	C14 H16 O5 S1	297.07913	297.0799	0.9089426	297.07938	9780	9950	7838	0	12237	7364	0	0	0	0	18814	0	20560	0	4233	0	12663	16992	18837	11920	12571	15012	0	0	2773	14514	4284	6465	5136	0	0	0	0	5444	14660	5522	0	0	10000	12524	17981	8607	0	0	0	5422	10552	0	0	0	0	9622	0	0	0	11572	5562	11368	5520	8920	0	7973	19054	18402	0	0	8418	10509	13523	13316	21051	3710	3044	3337	0	0	0	3902	0	9080	0	13458	12544	5917	10328	4624	0	0	8930	0	9578	28344	0	30216	21653	0	9696	8857	0	10634	10293	0	6126	6306	0	0	8263	0	3802	0	Organosulfur	0.35714287	1.1428572	0.0
12	C7 H13 O2 N8 S1 Na1	297.08527	297.0862	0.41236126	297.0854	3904	2837	2529	4814	4921	1618	3395	1776	6927	15692	6945	2009	5546	4014	2942	3919	4795	6108	5701	6752	17772	7597	3117	3264	3531	22250	2281	0	3235	1465	1736	2653	5828	4270	13316	1831	2644	1521	8247	12255	22055	3484	0	0	0	10177	15122	0	1196	1752	0	4640	4548	0	6193	3622	3239	3266	0	0	0	5873	6161	4902	2130	5447	2834	5104	16614	29738	43360	2163	2240	1199	2459	1784	0	1983	6762	0	6353	6104	2728	9677	5482	1832	4786	4451	2757	19714	3275	4667	6137	11344	12447	0	3254	6829	3214	5624	4020	0	1441	3077	0	5426	4207	0	5285	5231	Organosulfur	0.2857143	1.8571428	1.1428572
10	C16 H12 O4 N2	297.08698	297.08752	0.40583596	297.0871	5032	6265	4073	6929	0	1649	3475	2755	6208	9310	12180	2850	2904	2039	2261	2707	5813	4902	6105	6687	10771	3264	2727	6261	2295	16005	4898	8002	2219	2248	2710	2612	4720	1623	9794	2438	3611	3355	6714	11041	20494	3731	0	0	0	9935	15638	0	5474	2779	6644	4975	2883	0	1961	1868	1692	3367	0	4632	0	4571	4634	4108	2349	4051	2832	7338	16901	18075	30344	1831	1273	1090	3204	2460	0	1519	4239	6355	4681	5396	2032	7067	5673	2863	3337	3440	3393	9588	0	2430	4154	9426	12161	0	4236	4699	3921	4604	4435	3898	1723	0	0	4238	2702	0	3830	3505	Phytochemical	0.25	0.75	0.125
12	C13 H16 O4 N2 S1	297.09036	297.09085	0.3357586	297.09045	3847	2737	3987	8290	4627	4354	2586	4555	3017	5988	2080	1691	2857	0	3514	4398	6807	4428	3580	3193	6424	13340	3598	5786	4568	3279	2769	0	4860	2516	2695	3669	7040	2629	8318	3136	7180	2643	4431	9198	11782	3247	0	0	0	9779	9148	0	5805	2667	4536	4946	4770	0	2379	1817	1591	4452	0	12420	0	7863	1821	1618	1608	4115	3392	8324	0	7201	5204	2091	2347	2193	3881	2358	0	2001	4600	0	2786	7726	7503	6350	0	3238	9203	2679	2922	13859	15503	22464	9940	11755	15554	0	5348	5015	2002	0	1967	2863	2279	7419	0	4438	2859	0	4293	4091	Peptide	0.30769232	1.2307693	0.15384616
20	C13 H16 O4 N2 S1	297.09036	297.0907	0.14180435	297.0904	0	0	2405	2851	0	0	0	3006	0	0	0	0	0	0	1362	3628	0	0	0	0	0	5567	3646	7478	2758	0	0	0	0	0	1900	0	0	0	0	0	0	1507	1650	0	0	0	0	0	0	0	0	0	0	1387	0	0	0	0	0	0	0	6877	0	0	6173	0	0	0	0	0	0	2043	0	0	0	1346	0	0	0	0	0	0	9631	0	7369	0	0	0	0	0	11531	1149	0	58667	0	0	16322	0	0	0	0	0	0	0	0	0	0	0	0	3814	0	0	5733	0	Peptide	0.30769232	1.2307693	0.15384616
2	C18 H16 O2 S1	297.0944	297.09503	0.14043826	297.09442	0	0	0	879	0	0	0	0	0	0	0	0	0	357	0	550	0	0	569	0	0	0	0	0	0	0	0	2612	0	433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	316	0	0	0	0	0	513	0	0	480	0	0	497	372	0	0	487	522	0	540	385	0	0	0	0	0	0	0	3732	0	0	0	0	12843	308	0	0	0	408	362	0	0	0	0	47125	8120	0	1988	0	0	0	0	0	710	684	542	0	395	0	0	617	0	0	0	Organosulfur	0.11111111	0.8888889	0.0
0	C12 H16 O3 N4 S1	297.1016	297.10223	0.05222913	297.1016	2183	2333	2224	2869	1411	0	6435	0	1311	0	0	1708	0	0	1395	0	8175	1622	1737	0	0	0	1878	2511	5217	0	7656	430	0	0	0	0	1925	0	0	0	2683	2548	13469	0	0	0	0	0	0	0	0	0	0	0	2764	2558	0	0	947	2282	0	2029	0	0	0	0	0	1177	7265	2556	0	14896	419	0	0	0	0	0	0	0	0	0	11645	0	6847	0	0	0	2100	1724	15219	2142	0	26590	0	0	3511	0	0	0	2646	2429	1598	1079	2987	2098	0	0	0	1990	3381	0	5766	0	Peptide	0.25	1.3333334	0.33333334
2	C12 H16 O3 N4 S1	297.1016	297.10217	0.26780048	297.10165	4790	4554	4098	5014	4648	0	6308	7823	2142	470	0	3484	4217	7098	4125	14347	9598	14937	7427	0	767	1902	5088	7039	3964	0	6893	0	10672	5957	5239	5731	10510	6729	532	7227	9057	3482	7755	0	0	4681	0	0	0	1647	0	0	8126	4870	3041	3545	4914	0	722	966	1402	14502	0	318	10670	0	2387	1623	0	3868	7528	10307	0	1392	435	7303	7049	8911	21891	6329	0	3234	3787	0	3249	0	0	0	2293	3062	7896	6091	8327	12810	0	0	4942	0	0	0	3568	4005	1804	2129	1352	8426	2697	0	0	10120	2061	0	5654	3895	Peptide	0.25	1.3333334	0.33333334
0	C13 H16 O6 N2	297.10812	297.10873	0.13098863	297.10815	10323	10104	11255	9370	9247	0	1605	10583	7016	5889	25827	3291	14372	0	3579	0	2637	12580	10930	3647	6920	9979	5299	8728	3199	900	0	38560	9284	4116	6553	10547	12954	8102	5675	8127	13167	4475	3486	3297	2567	10840	0	0	714	4992	0	0	11857	5181	9690	10869	10248	486	8919	5647	3482	12371	1807	1376	3991	1233	18009	10955	3936	10087	12893	3970	1461	2344	0	6403	9943	6877	0	6766	0	3941	1961	11433	3105	1115	0	0	4589	2870	2783	8824	11900	3992	151292	47237	13914	19934	0	644	8646	11500	4899	4625	4333	8602	3435	6301	1150	9870	4360	405	2089	26219	Peptide	0.46153846	1.2307693	0.15384616
18	C13 H16 O6 N2	297.10812	297.10852	0.3003414	297.10822	8564	9567	9994	9677	5679	7729	10202	11003	2921	2779	3106	9063	5443	3172	9939	11991	13275	9271	5408	2053	0	16460	12349	11588	6307	0	8361	4509	4599	6155	7896	6528	14510	9774	2705	8485	12576	8874	17407	3151	4938	11748	863	653	1205	3302	1460	1050	9975	7499	6548	7662	7096	981	4928	0	7013	16221	1229	5353	13844	1341	5618	6991	6409	4675	8338	15108	1027	0	0	8512	7361	4334	6086	7608	552	7236	18979	6212	11766	1990	3723	0	3413	3476	12904	13110	9152	36875	11307	4066	40777	3777	0	805	9816	7477	3029	3371	2905	10885	8219	4838	0	19311	3253	1007	10827	10032	Peptide	0.46153846	1.2307693	0.15384616
4	C13 H16 O6 N2	297.10812	297.10867	0.1299207	297.10815	148276	171144	135721	140469	141907	96998	54384	152904	152723	74814	103273	128464	192783	52538	97057	173793	273315	253093	240528	83521	112331	189506	146777	166669	48464	12358	64290	45599	106267	108191	131084	118434	197219	108570	117827	123987	179110	96190	340856	78609	133814	186053	1761	655	655	94506	127288	762	147034	131740	146292	127067	165074	976	181304	120796	105892	168500	87644	125472	182450	62112	212788	209437	102011	185895	142770	281307	32566	30923	39520	113514	98478	104631	81811	107458	432	92716	93951	54254	84433	50591	49318	27968	151652	108039	92702	227308	221707	215695	107329	117179	254209	78455	67367	1649	133565	162970	111100	157310	145595	190476	106950	123349	70770	195634	127617	630	73978	308067	Peptide	0.46153846	1.2307693	0.15384616
10	C13 H16 O6 N2	297.10812	297.10858	0.16171002	297.10815	215932	192249	190530	181629	155694	148901	131148	207411	188661	136689	113287	186943	201209	62255	174852	254945	255380	263851	266840	134528	154700	283862	210313	232198	127390	23026	157952	235939	182016	156103	170806	194887	289785	189914	170404	169803	298886	171925	308038	170821	195987	171545	3753	586	930	136878	141988	678	217759	160905	201429	201023	180498	1475	252457	94473	99231	259545	184745	178900	273591	124970	164285	205172	105774	206093	173714	317414	74653	84172	86767	188006	159121	128789	185792	149940	554	136139	185835	104492	159770	102439	112033	55982	124240	109048	203351	209184	205451	375982	133954	213142	433279	141643	142953	1894	204612	201219	109096	104567	90829	250802	163517	174236	118804	279501	129015	1111	142475	302362	Peptide	0.46153846	1.2307693	0.15384616
10	C18 H16 O4	297.11212	297.11258	0.092547916	297.11215	22517	24297	18060	18169	11044	10207	18273	21105	15326	23495	18135	16542	9984	6739	16176	22255	20094	15905	18572	25150	28377	27637	16971	33099	15705	27829	19423	14561	17441	18767	22235	17188	19903	17972	23739	16701	19666	16225	25970	21938	23562	10533	2386	1958	2317	24563	28176	3363	21256	18381	17505	20734	12994	1692	16031	11518	8530	23745	15602	19805	29281	12098	9982	12450	8817	11653	9826	23961	29842	32591	39274	17829	18769	18405	19618	22911	2197	12718	27962	11966	24419	20229	18158	12959	14796	11298	25046	12607	12013	29122	12382	18030	27540	17058	19075	3249	17595	23871	14082	13738	13162	20879	16580	23441	0	17705	11637	2094	18681	8191	Phytochemical	0.22222222	0.8888889	0.0
12	C18 H16 O4	297.11212	297.1126	0.19935498	297.11218	154506	167177	149342	158407	100169	100382	125356	144403	116423	104983	92528	104548	93000	42848	123559	179455	192622	162974	167849	124739	124359	223663	145690	171305	104892	72947	121202	73454	146539	121675	122479	152611	182332	137670	137640	128508	186419	124621	223670	119855	163298	111630	4331	2765	3292	108008	131784	3852	156180	130687	154835	152498	115639	2688	142519	63832	89046	204945	110442	137481	169534	83430	110799	115254	67081	136234	108884	223515	66133	108098	124310	120303	113846	104740	143905	130899	2209	115562	138823	88354	129098	85449	100215	59939	83450	82247	152319	128809	120171	312366	141359	188225	313606	85334	96355	4163	158080	158782	88298	69668	65287	182072	111614	132532	69477	188479	90890	2137	120040	198784	Phytochemical	0.22222222	0.8888889	0.0
4	C12 H16 O5 N4	297.11935	297.11987	0.07332153	297.11935	2489	3621	3367	3328	2328	1950	1060	3303	3199	0	1577	1804	2747	1033	3992	6362	7039	3388	4248	1952	2265	5343	5548	22780	7381	0	2063	0	1946	2781	3423	2453	4261	1778	2020	1854	4143	3680	9969	1755	2292	2112	0	0	0	2340	2753	0	3171	3307	3322	3425	3103	0	3652	2687	1960	4826	2211	3439	4069	1199	3511	2893	2460	3407	2141	7456	0	0	0	1942	2065	1680	2021	2322	0	1995	3738	0	3470	1639	1599	450	3048	2856	2945	3493	2675	8073	0	3165	19423	2048	1095	0	3538	2901	2649	2677	3071	4127	2683	2798	0	12376	3498	0	2170	3679	Peptide	0.41666666	1.3333334	0.33333334
2	C12 H16 O5 N4	297.11935	297.11993	0.2205598	297.11942	9456	8830	6530	7646	8666	0	4924	8741	9358	3041	4168	9460	10401	3811	5336	1109	12388	9216	10482	2273	6098	12063	7185	8290	2539	0	0	1764	5675	4904	7807	5878	11053	6536	6126	5216	8992	5699	13883	4120	7081	6944	0	0	0	3175	4420	0	6668	3731	8479	7751	8922	0	8937	4804	6444	7681	3893	6320	2080	2191	13017	8175	6323	12495	8979	17878	765	930	918	5815	6852	4193	903	5755	0	5472	7167	0	6340	2082	2196	855	7813	5260	7150	13418	8898	27975	2325	5348	22957	4420	324	0	8749	8322	4897	6128	5668	6770	6933	3631	2274	12319	5543	0	5991	16831	Peptide	0.41666666	1.3333334	0.33333334
14	C17 H16 O3 N2	297.12338	297.1239	0.55183434	297.12354	0	3325	4789	5598	4632	3389	4303	3807	5724	7988	8171	3290	7504	0	3001	0	5004	5852	6040	0	11269	6543	3364	6501	4124	15309	0	0	5376	3374	3626	0	11368	7432	8185	3725	5361	3322	7518	5592	7718	0	0	0	0	3156	0	0	7872	2965	4427	0	4283	0	6951	5212	2790	3269	0	6550	0	3847	6894	6089	0	5906	4595	7739	0	14123	21250	5097	2516	2621	4969	5595	0	7104	6681	0	4297	3959	2880	3706	5240	0	8071	3867	4515	14651	0	4036	12878	6576	8974	0	0	6510	0	5453	6333	8259	3860	0	0	0	4480	0	6653	5937	Phytochemical	0.1764706	0.9411765	0.11764706
10	C17 H16 O3 N2	297.12338	297.1239	0.46749333	297.1235	14514	14471	12141	0	7848	6468	10491	0	6441	26058	36804	9009	8928	5490	6615	14223	9702	6954	6552	37218	35109	9039	7611	17979	11061	48105	9171	49173	9999	7389	0	10620	13341	11217	26379	0	10770	7044	17118	25686	34854	7788	0	0	0	16164	33180	0	11502	8730	11550	14892	10092	0	8400	6063	6303	11763	0	8955	0	15297	7074	10215	3705	10593	0	16749	38313	49791	57249	7239	5445	8769	7293	14313	0	7752	14829	23214	0	6771	4662	22521	10953	6420	11697	9081	10731	31221	0	9096	16941	16503	34194	0	15144	13650	0	8415	8352	8151	7653	0	0	15120	1993	0	10359	8550	Phytochemical	0.1764706	0.9411765	0.11764706
6	C17 H16 O3 N2	297.12338	297.1239	0.22421259	297.12344	4387	5291	3835	3775	2487	1924	2000	5703	2036	10369	8823	1983	2720	2082	3254	6908	4332	3206	4121	12288	12392	3168	4060	7961	3170	16627	1634	9857	3448	3607	1617	3490	4135	3929	9779	2782	4023	3221	3805	8924	9126	2162	0	0	0	5967	9337	0	3692	3162	4536	4426	2435	0	1885	3523	1753	5996	0	2671	6985	4041	1733	0	1592	3158	3057	5301	11934	18811	21226	3745	2923	2791	2490	2720	0	1652	6280	5708	3341	2549	1204	5933	1966	1669	4841	3317	2544	11448	5745	2436	8687	6402	11104	0	5297	4911	1520	3928	4769	4837	1976	2763	0	7112	1336	0	4238	1107	Phytochemical	0.1764706	0.9411765	0.11764706
18	C17 H16 O3 N2	297.12338	297.12378	0.35887134	297.12347	0	4653	4538	4861	0	0	3326	1839	0	0	5014	1977	0	1240	1423	3854	3259	2926	0	0	2634	4247	2933	15819	3361	5902	3228	8364	0	4845	0	0	2038	0	6847	0	3588	2550	3782	5610	10286	0	0	0	0	10082	9246	0	2649	2458	2845	3175	2504	0	0	1466	0	5312	0	5253	3567	2918	2592	1565	1540	4299	2521	5306	6736	0	7959	1544	3529	0	1677	0	0	1740	4040	11266	2316	5085	2494	4003	0	0	4058	3509	1154	33184	4195	3790	18487	2991	6183	0	4638	3610	0	0	0	0	1507	2574	3157	9272	0	0	3228	2683	Phytochemical	0.1764706	0.9411765	0.11764706
16	C12 H21 O3 N2 S1 Na1	297.12433	297.12482	-0.09907831	297.1243	19869	25893	21114	16131	26118	21138	9267	16659	25581	30972	31137	15717	44223	8910	1937	28191	7134	32559	21346	20679	21372	31287	15336	15357	18713	49860	12141	18594	19491	27852	16440	0	23949	20679	38595	16389	29589	8106	23688	37500	34059	14490	0	0	0	14319	16743	0	27189	17115	25158	18237	9423	0	47901	17546	7143	11124	11331	13560	0	16217	29481	22647	9066	27000	13236	19146	29937	41076	61944	14648	6426	7267	15423	7722	0	11388	17731	23871	12411	11688	8508	24153	25710	12941	16848	12921	19545	0	9468	35400	0	13089	23007	0	10914	23742	17599	16071	21219	27195	14559	13989	0	0	21297	0	5025	38316	Peptide	0.25	1.75	0.16666667
6	C15 H20 O6	297.13327	297.13382	0.12348761	297.1333	277530	308918	244774	292530	197286	146398	472312	341811	270753	220060	336788	405286	536972	240640	262088	691148	288873	277816	316168	264606	522549	348747	297546	748264	183236	175110	423963	134574	305620	309896	274035	266746	632004	215498	258412	298743	569493	266350	738586	305044	417712	444248	80125	21414	32950	314224	614420	24998	309410	303036	273025	276510	401545	25358	778444	603293	182120	712896	534824	608100	693660	133594	548220	243662	135544	409155	390378	383553	464064	201294	498264	441173	461463	278212	338088	570368	20506	393008	344147	142184	298120	252574	279982	286972	589142	207774	357071	157915	223192	425622	293396	592691	424958	364292	245270	32132	282507	287209	361784	715916	932676	349356	248736	339029	228664	274662	264048	22530	234383	543604	Lipid	0.4	1.3333334	0.0
10	C15 H20 O6	297.13327	297.13373	0.11094349	297.1333	1810234	1594610	1543340	1494810	1410994	1142318	1396996	1915148	1575170	1399642	904982	1203766	1978822	904940	1405390	1112550	822679	2045496	2163926	1990758	1866816	1723982	1483418	1994846	1200188	812047	1362494	442346	1707746	1560130	1422702	1655408	2043898	690760	1657280	1627864	1834568	1281030	959379	684685	1394890	1285398	51441	18533	25026	1433352	1242976	22525	879232	726515	1624670	1736888	1344512	23016	2434276	847007	912478	1086394	678897	693011	2202918	797838	1594404	872817	808120	1791622	1292074	916457	724631	1931646	1764490	650547	1314198	1406618	1634146	1488620	18494	1044778	951058	418108	1583840	1098750	1627492	1068836	1782792	588989	2015600	1062756	648221	1940136	708785	803790	2127554	509089	1494370	35243	1641368	1848906	1242104	2093288	2329060	1833228	1107968	1826576	444843	1465024	1532986	19511	1253468	1851096	Lipid	0.4	1.3333334	0.0
12	C15 H20 O6	297.13327	297.1337	0.12558734	297.1333	2821528	3310852	3120094	3185336	2656020	2109510	2616260	2854624	2869054	2756170	910547	1586292	2838118	3203054	2136622	3683710	2790776	3965284	4250408	3864146	3648626	3034984	2502804	2880778	1965032	1398322	2747976	869375	3019632	2344724	2311018	1413634	3426598	1275513	3185846	2461040	3206484	2130836	3117174	2557596	1252693	2305572	83574	23658	29249	2196484	1082867	29385	3160878	2406026	3237074	3228806	2648528	29090	4489492	2567280	1849190	3449982	1074444	1081571	1786293	1631844	3837170	3060030	1535232	3329788	2501532	2768132	1284106	3997882	3241096	2094384	1139050	2167606	2757108	2686272	15205	1977080	2833810	815671	2329954	1815136	2774142	2236678	2595422	1916304	3125854	1889602	2397886	3261964	2874156	3242890	3371752	824638	2847892	59421	3168984	3197352	2277576	2930144	3297404	3325736	1819390	2875158	630828	1248538	1324521	27641	1978824	4003484	Lipid	0.4	1.3333334	0.0
16	C15 H20 O6	297.13327	297.13367	0.16447382	297.1333	1741811	1800329	1826620	1864220	2186899	1748652	1402337	1507102	2210346	2313365	1294131	1116355	2934851	1402590	1389134	1735510	1537385	3300330	3242716	3004101	2585520	1704260	1428842	1442859	1223291	1434138	1235932	2623556	1813657	1509654	1534094	1804924	2311067	1593781	2579796	1695746	2321919	1166822	1618703	1958585	1342238	1590688	89623	37152	46526	1180588	916949	38231	1995573	1361704	1904802	1831550	2017903	54113	2995284	2035935	1256759	2075979	1293174	1045267	1746889	1224780	2508767	2234415	982125	2527375	1823888	1457456	1280686	2109322	1555436	1430562	1595746	1527071	1452611	1621837	28510	1100430	1513796	1086396	1033393	890095	1369355	1361223	1838569	1294070	1627350	1437712	1758992	1458738	1835373	2143114	1764656	1096797	1695853	54583	1799526	1983711	1495824	1894561	2230985	2313062	1016987	1610421	648746	1418684	1791678	36518	1165296	2921843	Lipid	0.4	1.3333334	0.0
8	C15 H20 O6	297.13327	297.13388	0.122770935	297.1333	379216	419930	575922	416309	624384	230116	298514	422426	346841	553370	368262	594702	817168	162913	671842	504783	435359	735448	477751	806778	365188	861072	397585	504504	249665	568722	306826	180608	433436	412354	336265	408780	416009	309098	367000	389695	417815	319977	496066	271847	595646	297852	20912	11249	18527	752854	687828	14302	455604	755010	749352	733208	305828	14455	1102848	724444	519644	432556	608524	640244	1020768	380836	779342	802826	369594	675644	266210	451092	299592	668880	777888	633968	665716	649642	637994	423612	11820	279612	536153	213328	754746	291783	378952	414822	778848	226800	474015	224867	322786	1079866	548990	807674	1143516	449478	315303	21110	392848	428281	586254	516632	544470	449416	302238	983544	177159	342662	700044	11669	322751	764070	Lipid	0.4	1.3333334	0.0
18	C11 H21 O2 N4 S1 Na1	297.13556	297.1357	-0.34386146	297.13547	1067964	1030053	995603	963886	1192832	1085640	752487	900566	1174776	1209425	587291	518376	2068831	844141	872617	867543	611323	1992935	1973995	1422865	1115889	909161	813773	758640	685984	568350	635535	638956	1121018	884045	863062	974160	1395090	970465	1184803	1000847	1532879	708503	642889	998709	597927	917728	57353	23398	35918	594252	408454	27239	1045429	692009	1012763	996465	1065422	27346	2225242	1223444	744454	1095727	772248	442733	912334	602392	1561240	1410448	614544	1412775	1030643	653003	524557	853174	724284	760244	741766	872023	634066	891048	20050	668846	833306	485338	629001	413867	676388	551614	1041445	839860	854602	783096	1001983	624240	1108967	1299105	936500	464730	818712	38303	1023380	993293	896740	1081591	1161098	1286191	580110	990030	339593	671713	884041	28607	624744	1685767	Peptide	0.18181819	1.9090909	0.36363637
4	C18 H20 N2 S1	297.142	297.14276	0.76621294	297.1422	0	0	0	0	0	0	519	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	499	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	250	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	838	946	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.1111112	0.11111111
8	C14 H20 O5 N2	297.1445	297.14496	0.08081919	297.14453	342728	348163	287218	326860	123308	144434	272153	477380	151702	255662	152646	286810	127445	57475	342387	479956	428756	211036	261345	361432	310256	497095	309469	535472	288021	61498	305940	129853	410255	384710	403958	473510	456354	403061	366004	402382	480009	307791	516040	335879	332564	202857	3014	485	566	359672	337865	740	501128	419656	302113	322569	172416	976	214393	74429	126446	405549	357718	345674	442339	214040	131339	166929	104739	171829	188528	472415	92981	143535	143486	432461	410692	390873	282905	411757	385	287944	314755	188482	271759	262772	366141	199279	96208	122539	300350	218474	235199	529795	292061	469803	679273	227256	322694	1680	320020	354054	96529	79987	84122	441083	283273	503664	155300	408874	119730	460	314219	202901	Peptide	0.35714287	1.4285715	0.14285715
14	C14 H20 O5 N2	297.1445	297.1449	0.055227865	297.1445	191128	182278	149735	163981	112516	98259	173592	202696	96727	95557	89942	152782	99645	76361	138420	236060	224335	152613	137974	126998	108315	190348	143340	203556	155657	105887	167948	68672	186118	191863	177224	225287	228970	164435	127985	188143	218728	133252	244568	116484	126854	114577	3433	2511	2553	128090	125048	3083	210820	178555	166591	166869	122001	2175	109542	72573	93410	258464	134285	145359	202076	77979	101730	100822	69357	123984	119102	255254	73114	116471	152224	152057	148154	165737	208432	184740	2204	139355	164955	101620	138561	100295	143709	86749	99571	74370	188522	123214	127543	314558	175402	188037	311665	88363	112425	4310	173211	157820	82746	106902	98298	204670	136165	170165	50284	218123	87384	2453	174267	110265	Peptide	0.35714287	1.4285715	0.14285715
12	C14 H20 O5 N2	297.1445	297.14493	0.030955374	297.1445	150051	171241	166624	168894	95726	93794	150289	197541	92740	93461	64043	109960	95755	43087	140783	227327	183495	155430	165391	129070	112398	250281	148180	237847	164730	21519	133015	54431	196284	152538	177151	221526	252734	196553	137787	187832	246321	131028	213217	118929	103552	104198	2011	686	806	149164	115423	690	231453	178749	160741	157984	116527	972	137103	40751	71066	248505	149703	135022	215373	74544	95984	91633	49727	127799	107005	220514	34824	64870	50574	169498	158593	164444	169874	180808	476	121507	128065	73964	107722	106355	154044	70015	50637	68813	152250	112394	117513	273653	210229	232673	370816	83944	122297	1520	169782	175942	63910	40941	46328	243345	124783	170395	58804	229426	69765	629	139624	152957	Peptide	0.35714287	1.4285715	0.14285715
4	C14 H20 O5 N2	297.1445	297.14505	0.090069994	297.14453	191699	225600	200241	194905	132037	99130	135414	206674	181557	156671	117288	146119	173357	48812	164799	225623	287833	218219	238603	177750	195804	315023	181241	237256	115608	37942	136917	85980	173309	165453	183299	195585	280789	156681	228606	205113	255589	176000	377227	168104	232042	136968	2131	519	562	174626	224107	513	205462	195960	208348	159634	146860	673	219904	116740	110798	208799	167578	218331	207584	121222	196055	158855	80594	164965	122321	320243	69209	73017	107475	156282	163555	196382	137710	176045	375	141875	178664	105915	162836	124079	149591	73736	139201	121659	165333	152218	156029	313468	205310	256793	383601	136984	158869	2032	181708	225804	124726	146279	143318	251475	155763	246286	140110	220377	146661	832	139578	233333	Peptide	0.35714287	1.4285715	0.14285715
16	C14 H20 O5 N2	297.1445	297.1449	0.15587866	297.14453	20829	21289	22061	23700	18597	17016	24588	24212	15962	9965	9579	20177	13637	7807	24868	24453	34593	23509	23565	13543	7685	28300	21955	28117	22578	2006	20162	9521	27161	19418	22005	30573	35822	26876	15554	21722	34943	15399	35759	13422	13025	18436	1075	1084	783	14042	16795	677	31749	22862	18241	21396	19603	802	14122	8126	11237	30620	16983	12086	28368	9450	13611	13236	11675	22275	18671	31478	3265	4204	6606	24387	21035	18119	23328	18407	595	14398	21221	13675	16250	14870	16663	8102	8362	11460	33952	18834	18865	51765	37682	37863	35866	10507	19805	798	18248	18942	8156	5923	8102	33205	16479	16500	6237	33505	14928	939	24152	26886	Peptide	0.35714287	1.4285715	0.14285715
28	C17 H21 O3 Na1	297.14612	297.1465	0.3882494	297.14624	8864	3712	13471	5690	1064	4407	0	5631	0	0	0	0	0	2908	10372	7870	0	2347	0	0	0	0	7538	38706	14391	0	0	688465	2137	0	1266	2277	1857	7860	0	0	1473	5444	0	0	0	0	0	0	0	5291	0	0	3088	0	11827	5438	2343	0	0	0	0	14312	0	0	10542	0	934	0	0	0	2684	0	0	0	0	2486	1963	2857	0	1305	0	1540	2492	932237	3211	0	0	0	0	0	0	0	1128	0	0	0	23400	36923	5074	0	12527	11916	0	0	0	2439	0	0	0	19338	0	0	2567	0	Phytochemical	0.1764706	1.2352941	0.0
18	C19 H20 O3	297.14853	297.14893	0.17301847	297.14856	202614	213834	181768	165939	150029	109485	158282	215062	109482	165269	152152	155052	139111	125255	155653	258808	246869	137704	201787	210177	214904	166889	156776	240943	147410	348514	173436	140345	189081	206915	197661	198754	243747	194802	174382	213110	226923	155685	278108	162293	224227	127857	7583	2096	2617	121927	141950	3263	243400	184015	181533	204288	142504	2510	141870	130288	118377	253584	123412	172686	223436	109842	151723	116865	97625	159455	136860	277906	278995	317928	432172	166189	145179	175585	230109	216475	1942	128211	209930	130070	176601	118772	145856	136386	172066	131786	202434	150335	155410	270910	191608	180287	258508	125552	154190	4476	185355	179506	137574	171189	200915	246048	139088	208948	84235	182469	120747	2867	185727	116186	Phytochemical	0.15789473	1.0526316	0.0
16	C19 H20 O3	297.14853	297.14893	0.096308015	297.14856	135550	139832	118404	121468	99536	71315	129276	144941	85743	103264	97301	111703	74465	72172	119134	193953	218243	91203	129584	140268	131819	126194	123351	162273	110439	196442	134058	71888	136407	139309	132023	155756	159039	104036	111157	141920	145911	100656	208820	106715	124156	87430	5192	2621	2223	87642	116386	2459	152874	130404	144535	133775	91723	2450	81698	94470	78614	183525	91072	144059	159166	64582	93925	73025	59434	97163	90254	212971	145872	190226	244352	112359	125513	127424	169714	150756	2161	86460	162207	93567	129993	90623	110095	84667	119617	74006	141565	99719	97060	269118	123044	112733	175261	85790	105989	3647	128710	128221	89424	123217	153235	159017	94049	141898	51895	145947	97788	2210	143327	88346	Phytochemical	0.15789473	1.0526316	0.0
6	C16 H24 O3 S1	297.1519	297.15253	0.71428967	297.1521	0	0	17839	0	0	8744	0	32815	0	0	0	0	0	0	0	21867	0	16792	0	0	29571	24735	0	0	0	0	0	0	24846	42943	35431	63530	31407	27579	0	24309	29623	0	0	0	0	8880	0	0	0	16606	0	0	66251	33651	19402	0	0	267	0	0	0	20498	0	0	20917	13433	0	10292	0	15739	0	0	13438	0	0	35316	69924	23200	24096	32449	0	0	10755	0	0	0	0	0	0	0	0	9370	11561	0	0	20379	0	0	0	0	0	17032	0	0	10861	46968	9835	0	0	18195	0	0	9041	0	Organosulfur	0.1875	1.5	0.0
6	C12 H24 O8	297.1544	297.15512	0.31470257	297.15448	0	0	1291	0	0	0	0	0	0	0	11431	0	0	0	0	0	0	0	0	0	0	0	0	0	815	0	1390	32644	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	522	0	0	439	0	0	0	0	0	572	0	0	0	0	0	0	0	1728	1623	0	0	0	0	0	0	0	0	0	0	0	0	0	532	0	0	67042	0	0	0	0	0	0	0	0	0	0	0	0	0	23055	0	413	0	0	0	1075	0	0	0	0	11899	0	0	0	0	0	Unclassified	0.6666667	2.0	0.0
6	C13 H20 O4 N4	297.15573	297.15613	-0.0838196	297.1557	6820	5915	5924	5826	1901	4355	5547	7780	2014	2629	0	3667	1401	1557	5611	8256	8106	4048	5391	1135	2442	8255	4314	8982	5060	0	4617	11608	5137	5162	5958	6058	10446	5410	2225	5569	7864	4607	10770	1746	3973	3226	0	0	0	3408	2486	0	4955	5283	4807	5479	2369	0	3385	811	1730	5905	1706	2732	5044	0	2200	1832	2311	3256	2648	10754	0	0	0	6392	4975	5048	4920	3911	0	4692	5454	12843	4514	2511	2380	1434	2259	1341	6971	5419	3058	20820	14833	5252	15598	0	2326	0	5588	4304	1741	912	0	6568	4467	3709	0	7586	1681	0	5909	2609	Peptide	0.30769232	1.5384616	0.30769232
18	C13 H25 O2 N2 S1 Na1	297.1607	297.16107	0.026903005	297.16074	15080	18674	15568	6904	10056	10784	11536	9918	14086	25282	12972	5348	16574	10052	14366	17148	5286	26408	26102	27224	30732	14084	5782	13222	14122	12982	5862	9610	7140	17680	15348	15834	24368	13108	14488	19590	27042	12630	13742	12464	13296	11108	0	0	0	5434	9102	0	24573	9040	12782	9336	15240	0	27694	16040	7004	26436	8796	12804	9500	9488	14068	25090	9462	23260	15516	15632	14169	21952	17142	7030	10858	12938	9202	0	0	8592	17156	11590	8030	6262	13578	15268	9100	10490	15850	16986	16754	5300	18560	22936	17726	0	6262	0	18036	17026	9160	9904	22294	27810	9774	23418	3184	10970	12122	0	8808	22308	Peptide	0.15384616	1.9230769	0.15384616
2	C23 H20	297.1638	297.16443	0.29432738	297.16388	5072	4325	4260	9780	1727	0	3355	5687	2188	2601	2253	3354	2297	1097	3809	2682	5030	2515	9366	3968	3941	4384	8412	5307	2866	1792	1859	2124	13048	3358	4648	5048	14428	4096	11192	4471	5491	2999	4415	4139	10172	0	0	0	0	2526	2800	0	4890	8396	3777	5070	2813	0	2650	1073	1306	12894	1682	2040	3325	1920	2637	2381	0	3135	2777	6579	1754	6868	2826	4209	4764	8752	6160	9170	0	6968	3388	4233	2600	1394	2297	2258	1138	3726	4699	7530	3604	8643	23088	9404	9753	2891	2378	0	4613	4341	1584	858	1006	3897	2981	4926	1534	13518	1275	0	3353	7418	Phytochemical	0.0	0.8695652	0.0
10	C16 H24 O5	297.16965	297.1701	0.08824172	297.16968	63741	54482	107410	52302	33465	32517	65969	147226	36314	27306	23141	89532	44191	38485	52886	172960	174432	36435	54480	47314	36115	63138	48570	149816	58826	67020	144976	25816	134864	141240	108284	125388	120034	100330	36581	75209	111042	54291	100610	25851	72526	35727	7179	3472	4766	44104	41811	3455	135924	114190	105720	51921	34632	4046	53886	44024	30381	186396	39326	44434	96199	18158	38957	34167	28535	35100	37805	172536	36894	43791	50490	45025	49341	131038	107494	122392	2803	38653	79194	31979	51509	40781	155392	50869	55739	33915	89487	27695	37462	248586	60618	63007	191294	30273	93482	5650	58241	67413	29207	51698	64490	130898	40468	52553	26573	64318	43362	4141	58973	33441	Lipid	0.3125	1.5	0.0
6	C16 H24 O5	297.16965	297.17017	0.068363875	297.16968	16624	9221	11540	19218	10706	8674	17524	18626	6858	8068	6012	5900	5347	12514	16146	15562	19006	4536	11280	5196	10896	11555	15402	18342	6783	8160	6558	7037	17786	20804	16250	13902	20466	16798	12590	19020	17686	17102	22010	4947	11518	6821	2536	2576	2278	9209	8556	2421	22502	17094	18610	16104	11092	2328	17200	8489	11326	12041	8543	14554	23008	4027	5404	4516	3862	8044	9980	10320	5754	4345	4655	6184	18942	21374	5630	9632	2142	13764	9704	0	19368	14222	20874	3692	7794	5063	11208	8326	10978	28018	17523	30616	23640	11554	6268	2687	14648	17774	6056	7235	24196	19168	15756	8235	0	18224	14092	1976	9047	8942	Lipid	0.3125	1.5	0.0
20	C16 H24 O5	297.16965	297.17	0.12688977	297.16968	684614	714715	718465	630711	814237	713844	927443	634274	678584	788636	371640	394376	1030758	880617	670836	747902	603334	1108307	1170557	962988	857309	604514	462084	515260	658934	308060	831513	545321	919876	672814	551647	831054	1026552	732818	765762	731863	1104947	474391	634710	450011	296308	659562	54465	14028	9824	444973	293282	12591	785007	485590	699160	673005	781018	19933	1005080	724042	491905	888892	572476	318213	730148	277814	858290	743399	452968	983128	861815	612225	185187	380190	273401	530288	644099	732736	684447	669992	9619	450048	500403	458181	323270	309254	941105	658818	615652	555190	634180	570000	712694	595935	1268482	1181984	739988	373330	567627	18531	723245	764208	534470	685642	753821	1095857	430337	744255	400108	633953	630839	15141	496885	897909	Lipid	0.3125	1.5	0.0
18	C16 H24 O5	297.16965	297.17	0.109097	297.16968	684956	656421	648129	592899	633705	590035	1147441	663086	464764	537368	389634	390169	852951	764606	574734	834270	751841	862483	980138	733675	609213	537989	494805	613071	558272	442868	1062675	440269	826261	712673	624461	758461	1002227	804106	505688	779194	973465	485372	810399	382794	337185	637386	46271	6561	8029	404550	288185	8392	818740	555620	680909	634779	669887	13999	812949	593172	433835	905431	394853	365369	773091	247597	720244	556531	515465	830180	823600	815591	227415	371410	330748	588581	629700	707864	755469	707308	6596	401555	524915	477677	386946	333102	1158658	915308	572584	581094	677868	601673	681554	710545	952238	942074	856983	316631	524901	15628	660830	681864	440542	606172	699585	1033335	393970	638142	257083	605181	447485	7647	520585	604850	Lipid	0.3125	1.5	0.0
22	C16 H24 O5	297.16965	297.17	0.16562831	297.1697	369445	361408	338782	364264	430606	407480	493413	367165	403604	399338	192138	292034	459745	398854	390300	368037	278041	663827	530622	470405	366824	315700	285852	289288	419232	123516	495790	254431	521789	413237	366596	471864	562888	433731	381400	499732	644855	336770	288182	221527	136614	314312	39643	13096	12076	202475	132314	10810	477366	308023	375170	356566	406291	15889	621695	359228	277649	486675	312330	132315	408568	146886	461733	396787	244875	533973	503190	282259	78821	173556	134072	327147	352669	409434	253362	427586	11742	290510	264923	189906	209215	152411	406509	229065	319150	312238	340043	276629	379283	275300	661527	675835	407907	174147	300142	17419	328928	399113	279171	348318	353777	573789	340257	388229	217461	350915	320015	10039	275237	539736	Lipid	0.3125	1.5	0.0
18	C15 H24 O4 N2	297.18088	297.1812	0.12563036	297.1809	4190	4826	6187	2759	3441	0	4100	5119	0	0	1863	3117	0	3838	3539	8671	8597	3272	0	0	0	5418	4263	13166	3282	1237	3749	2268	7309	8522	5446	7989	5827	6730	0	3774	5661	3711	9974	2831	1780	3199	445	0	0	2228	2248	0	4174	4170	2326	4642	3113	0	0	0	1757	11485	2080	2487	9102	0	2687	1334	920	4754	2940	9521	1422	2882	0	4990	4081	3870	5143	5637	0	1453	9678	10059	2455	2444	2051	2518	0	0	9010	4655	4180	16338	22376	13512	9786	3086	0	0	2641	3814	1455	1504	0	9910	2264	4944	1321	10817	1798	0	7125	0	Peptide	0.26666668	1.6	0.13333334
16	C15 H24 O4 N2	297.18088	297.18127	0.12911414	297.1809	9774	11314	14180	8686	5478	8723	10849	12034	3725	3045	4810	7317	4142	4559	10443	17321	16199	8594	6526	7150	4836	14404	9346	25821	16314	1908	6511	5168	12999	8753	10947	13265	19510	12744	5549	11099	17645	9712	16543	9112	5906	4678	436	0	0	7884	5676	0	12537	12026	8161	9451	7907	0	2663	1370	4741	32153	4919	5756	21863	4021	3432	3556	1664	7774	6157	18066	2427	3322	2730	12364	10691	11266	16433	9284	0	7284	13902	15074	10767	6586	7867	3013	0	3445	20357	8396	4705	33234	38958	25751	37335	8413	11406	0	12568	10759	3154	1993	1585	15952	7469	10874	0	34657	2464	0	17504	5263	Peptide	0.26666668	1.6	0.13333334
6	C15 H24 O4 N2	297.18088	297.1814	0.07531231	297.1809	44610	40713	38563	42008	24563	22516	28347	47303	20448	51621	18249	18371	25207	14164	31467	50138	33546	34866	41133	59272	49109	62938	25939	54323	38195	20680	25541	16463	42732	34912	40608	46588	65625	42226	63165	42492	61171	24074	38799	44223	34508	18429	0	0	0	43069	34779	0	59223	35239	42517	41470	23300	0	29602	9739	9741	62981	10501	10385	48362	21570	27179	18029	8435	25470	24201	42682	13068	46023	34667	34362	31489	33993	30377	37968	0	22603	23771	20840	17378	14526	17503	19888	13863	15178	35189	23866	25189	76110	72577	71806	93819	21198	40772	0	38027	34771	11947	10203	9393	52415	21233	53697	13046	56308	12362	0	29696	37418	Peptide	0.26666668	1.6	0.13333334
2	C15 H24 O4 N2	297.18088	297.18146	0.11115403	297.1809	49240	45583	41486	45234	18018	23125	31663	57482	16993	42188	18901	50431	22611	12980	45518	60163	41086	29645	35636	54532	51849	73948	31763	66916	43263	15953	26081	18720	61606	42902	45762	54490	57873	43366	49621	56841	58311	33452	47454	51615	37715	23090	259	0	0	33373	28881	0	61863	42403	44849	43499	22516	0	30448	9142	11315	77543	15246	13843	61218	22064	23668	22762	10297	24995	26510	52225	20356	39496	34398	41407	44562	48852	38252	44788	0	46571	36129	22385	25152	14678	22015	22616	12931	14263	39162	22530	28807	82759	75015	82048	120457	26116	48899	0	47639	47661	14553	9915	10129	52914	48496	72044	18006	55175	12243	0	36056	26754	Peptide	0.26666668	1.6	0.13333334
12	C15 H24 O4 N2	297.18088	297.1813	0.091715455	297.1809	13965	14568	13529	17934	7967	6672	11861	19463	7167	9884	3550	9198	5796	6087	11799	25803	19185	10761	14407	20578	15126	29010	9250	22283	14052	9841	10434	8533	16598	17274	16796	23368	22257	19623	13292	20015	20099	9959	25130	19104	22800	10179	371	0	0	18790	10529	0	18497	13571	13323	12354	8487	0	7089	3586	4586	26731	9002	10669	16594	8520	9475	4947	3522	9206	9921	27750	0	15896	11922	18216	14135	18204	19314	17835	0	9171	11191	0	9839	13588	12204	9222	3262	6482	15588	8438	9489	39723	29422	28866	39583	8621	17873	0	17537	21032	5751	4024	6823	21419	9340	19206	0	19913	7941	0	15099	8031	Peptide	0.26666668	1.6	0.13333334
8	C15 H24 O4 N2	297.18088	297.18134	0.05705454	297.1809	29218	30906	26073	32367	18617	15561	15792	33740	11873	28038	11004	53409	14134	10664	22517	40298	26240	17538	26288	35303	32788	45107	20797	39103	21725	12268	15778	9261	29956	28792	32179	36279	36620	28362	42003	30552	40216	22428	31836	38715	24463	16525	0	0	0	26543	19583	0	36080	22918	27491	31918	16317	0	15227	6316	6905	41561	6850	12182	30399	11787	19583	13702	6257	16918	15531	33368	8277	28488	20320	27547	29668	24667	20673	33795	0	44270	20553	14543	14030	10329	12195	17258	11308	7027	24482	16691	18121	55788	58913	36886	65829	17469	32734	0	26857	29976	8429	10290	10269	30827	48489	35501	10411	33939	11456	0	20778	22860	Peptide	0.26666668	1.6	0.13333334
10	C15 H24 O4 N2	297.18088	297.18134	0.12036921	297.1809	18485	18176	18281	16772	9010	9733	11427	27194	7508	14105	5073	9866	6922	7371	13235	33814	16685	12277	15692	24938	19439	35473	14870	29397	20871	8855	14592	7339	21566	21684	20297	22003	32095	20739	24028	24633	28912	11578	20766	22385	17907	12340	0	0	0	23633	15392	0	27499	15911	21388	19015	10536	0	10761	3393	4889	27248	11540	10824	25780	7117	6499	6588	3966	11593	9977	22598	8886	18016	15809	19491	20082	24500	15823	21350	0	12592	13017	10217	10802	11533	10169	12300	7644	6369	15375	9801	11705	31156	34250	26983	44099	13719	21464	0	16310	19216	5630	6499	6108	18970	11722	25416	0	24838	5908	0	13828	11112	Peptide	0.26666668	1.6	0.13333334
14	C15 H24 O4 N2	297.18088	297.1813	0.08455385	297.1809	16650	20646	15315	16450	7789	8549	14906	20003	4842	12017	7804	13358	2985	4476	9383	36300	18562	11504	9709	14276	10137	20883	8963	25036	15462	4651	14053	0	19859	15747	16235	23507	21911	18867	12263	18185	23710	8642	21225	15876	10901	13025	0	0	0	19011	10935	0	23640	16927	16345	14894	8100	0	4642	3794	5877	29278	9531	15554	0	7962	2926	4197	5742	9012	7558	28863	0	9930	4714	17574	23767	17996	17677	19365	0	9107	9701	0	10553	9933	15687	11741	3792	3331	15804	11796	10295	38104	33872	30380	43739	7549	18870	0	15290	11762	2886	4535	3646	14161	8919	20954	0	24545	4934	0	17488	10317	Peptide	0.26666668	1.6	0.13333334
22	C20 H24 O2	297.1849	297.18527	0.11860175	297.18494	212806	232018	190563	210612	151596	128310	203178	313014	129344	138146	168380	233158	100027	128939	238665	363268	479263	126969	171286	186969	209033	201065	195181	282734	236234	303982	230997	141852	280922	337180	261606	320014	322970	278648	155042	380234	274971	237816	447363	150343	232930	177003	4876	0	1105	146028	192867	0	292160	328244	220543	200326	143756	2854	156383	151545	143212	311285	140114	220688	300579	110595	109886	123740	122242	148575	157867	458987	222210	255958	321533	237697	227701	329335	425230	315228	986	190008	251375	201864	228026	135792	179441	129904	174612	165947	315876	174724	172908	591591	232935	227526	354846	172843	206676	2899	197723	229852	185697	225697	223065	565884	214625	250184	110319	272102	165692	0	263876	110994	Phytochemical	0.1	1.2	0.0
16	C20 H24 O2	297.1849	297.1853	0.09342653	297.18494	33060	34488	25436	26201	19231	10943	39440	32403	15143	10950	17845	26617	9122	13951	26091	43574	82948	12015	15569	17859	24789	26117	27468	31741	32819	18955	39193	13320	26332	29312	29278	36023	31988	17209	19498	29841	27279	25204	91084	14500	21462	13392	1083	705	649	12486	26494	780	30943	37244	34119	29617	14979	537	16370	19675	19373	41599	19564	30559	34178	7185	11697	13801	14619	13602	16133	83387	22319	27649	33619	18093	21784	29407	58983	30408	486	22886	46368	25743	37401	23206	31856	16184	28662	23059	50038	14353	18225	106037	29509	23504	45758	19613	19231	964	32741	28743	19595	32074	34338	40135	22530	24095	9244	29834	22498	869	39047	11034	Phytochemical	0.1	1.2	0.0
20	C20 H24 O2	297.1849	297.18527	0.13863868	297.18494	132453	146447	132558	121279	93419	65250	153517	169472	73126	67680	84877	128011	71992	78394	128293	194650	287810	80181	105269	102207	113851	128450	103199	156660	135872	166768	155884	81301	137975	153437	118914	147773	185536	112044	75124	157777	157501	124685	286000	83314	132257	100778	2583	1658	788	78555	123774	1604	147940	144376	129729	148741	89269	1679	78855	97933	85314	195187	85643	135920	155925	56356	73630	81870	76413	85662	84797	293048	121704	128662	185799	92864	113004	138029	289682	164123	691	101900	197238	147279	141870	68867	122157	78555	115186	97240	218528	98045	96881	542627	146416	127674	223330	107073	89515	2132	138259	134687	93121	134100	172038	242428	117561	129510	72534	168415	91712	1008	177222	74183	Phytochemical	0.1	1.2	0.0
28	C20 H24 O2	297.1849	297.18527	0.16314887	297.18497	24693	22520	20904	20170	26455	13129	18929	39664	15727	13328	14773	20871	21863	22689	22276	31222	26704	18188	33591	17662	15812	24347	23771	26400	26967	28326	19953	18963	32094	36122	28287	33216	31007	25128	15834	43005	26660	22614	29065	14152	13809	24737	2626	1722	0	12762	9879	2199	25909	31572	23201	22385	23466	0	24650	26773	15717	41181	15847	10026	28967	9045	15574	15818	12894	28507	25158	29647	19532	18365	23012	17620	17887	35840	23848	26351	0	19340	41258	22776	22055	13877	16030	16268	36472	15393	72067	19170	17172	41147	22337	20997	39469	17611	12755	2058	23741	27232	23483	52226	60894	46647	18333	20818	12424	30246	28210	1884	23809	15290	Phytochemical	0.1	1.2	0.0
24	C20 H24 O2	297.1849	297.18524	0.16065384	297.18497	313816	341375	275173	298705	226119	160622	210523	458862	168520	167334	208000	306783	184342	181893	380786	810572	520588	182134	282537	231889	226688	305577	327399	463873	506148	431129	213510	204512	321049	444373	354807	428196	404837	303186	201764	476851	363803	311393	503367	206752	241375	230540	13710	3937	0	199893	204780	4430	382546	451300	311503	313855	207754	6156	226108	191664	169315	665107	187281	225301	609691	134101	159192	175065	129553	213875	244202	503920	331225	289067	391136	262264	265092	417089	423728	408516	0	297568	493072	304194	297452	175402	206257	178173	261438	196134	781364	218660	217977	1397403	332952	293622	699700	218930	268445	5227	320079	346845	268264	270536	304484	610234	274883	333834	153629	726519	204435	3861	647857	139142	Phytochemical	0.1	1.2	0.0
18	C20 H24 O2	297.1849	297.18527	0.11629182	297.18494	70222	75859	62826	66875	44015	27332	75740	88457	39544	32615	45376	59330	25475	31755	57891	101804	172931	31946	50404	46709	45803	59269	56158	77279	67452	64598	87888	36823	67169	71790	64100	79115	89211	50646	38459	78192	62589	62697	182146	33756	55499	37200	1687	605	496	37556	52020	1453	69537	79072	62388	66062	44057	694	36648	44836	38970	93193	36764	70412	66953	29927	36006	35491	38904	40591	42628	181656	51731	59935	85372	37728	46222	74970	150611	85974	472	44721	114849	53779	90548	45951	60382	34524	64592	42962	133872	38266	51119	334471	66185	68651	110243	37179	45325	1138	64713	64234	46623	67627	83391	75450	57488	53304	25768	76794	36403	545	97206	33581	Phytochemical	0.1	1.2	0.0
14	C20 H24 O2	297.1849	297.18536	0.19527052	297.18497	17495	21825	13192	12745	5098	3609	25199	15901	4251	10333	17733	11626	4113	7263	11997	14707	30706	2393	4565	14589	4019	17789	9206	20616	14627	5351	24065	68858	8854	16223	9440	10935	12392	4119	4535	10777	9231	16827	32395	6340	18135	5304	0	628	631	7727	29004	782	13714	16947	19487	14421	4777	616	4913	4667	8517	23364	21878	71192	126613	9307	4157	4026	6383	4224	8263	31459	95771	10104	12545	6015	7229	13154	24939	15686	528	11012	17265	87320	13553	8818	12909	7079	10188	6415	19567	5171	6624	67483	10702	11493	21027	12443	6489	655	17225	15141	8018	19028	13588	15999	10807	19475	0	13742	5760	629	21513	2847	Phytochemical	0.1	1.2	0.0
10	C20 H24 O2	297.1849	297.1853	0.1241163	297.18494	15043	9077	14927	15479	0	0	2258	129057	0	18832	0	5919	0	0	1955	40206	2305	0	0	22651	22261	1513	1233	131620	3148	0	2956	0	41120	31583	31407	126617	152209	14400	54288	146141	166249	1364	3427	25199	0	1893	666	0	432	32659	0	786	12695	55542	12398	13867	735	476	0	855	890	18683	0	0	41115	0	0	0	0	0	1436	2789	0	0	0	8609	5861	32910	20486	25375	0	5275	1349	0	1464	1194	1081	0	998	0	2232	3596	1760	5352	0	0	3749	0	0	553	16489	13236	1280	1235	1200	131299	4484	38806	0	38730	843	0	2354	0	Phytochemical	0.1	1.2	0.0
12	C13 H28 O7	297.19077	297.1914	0.30442947	297.19086	9905	4885	7251	7388	0	0	0	1989	0	0	48247	0	0	0	0	2062	0	0	0	0	1605	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7197	0	0	292	0	0	4838	14200	0	3453	1619	8148	9027	0	606	0	0	758	0	74906	0	0	42701	1254	0	0	0	0	0	0	0	0	2175	0	0	1595	0	420	0	0	0	0	0	0	0	0	0	0	0	0	0	5534	0	0	4283	2104	0	9450	4232	0	0	0	0	0	3526	776172	0	0	0	0	0	Lipid	0.53846157	2.1538463	0.0
10	C13 H28 O7	297.19077	297.19122	0.100548215	297.1908	1243602	1178709	951706	1064032	38260	8227	2193	37566	8285	3315790	6386633	3111	61179	59969	1973	15812	34870	35769	2655	22382	1895248	68789	1862	9711	2514	3361	7010	56616	9605	224104	7111	16330	63030	8479	459715	6332	58783	2405	38873	2284366	1094806	12516	89524	1445	2265	1502741	2243592	5208	15984	11158	992205	1014812	45486	69393	78748	5820	8369	14659	10632397	71081	17202	4898650	79086	3854	42484	82269	31198	41276	29574	42649	98178	181816	18340	16696	42693	6207	2688	2155	3668	106534	2643	7854	5122	300584	7426	48160	1199	52751	7684	51897	354941	917672	63779	1027280	89657	2787	1195389	1115796	11993	2542	5811	92203	3168	282946	83230297	48110	5466	2777	2794	58930	Lipid	0.53846157	2.1538463	0.0
8	C13 H28 O7	297.19077	297.19116	-0.022403833	297.19077	1170	1352	0	0	1842	0	0	0	0	0	1472	0	0	0	0	0	0	0	0	0	0	3300	0	0	0	0	0	0	0	0	0	0	2113	0	2474	0	0	0	0	0	0	0	560	0	0	0	0	0	0	0	0	1528	1318	0	0	0	752	0	1138	0	0	1314	1392	0	0	1113	0	0	0	0	0	0	0	1332	0	0	392	0	0	0	0	0	0	0	0	0	0	2793	0	1843	0	0	1592	0	0	0	0	0	0	0	0	0	0	0	22113	0	0	0	0	1512	Lipid	0.53846157	2.1538463	0.0
14	C13 H28 O7	297.19077	297.1917	0.17555405	297.19083	0	0	0	0	0	0	0	0	0	0	5560	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1635	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15933	0	0	3257	0	0	0	0	0	0	0	0	0	0	0	0	0	0	372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	163177	0	0	0	0	0	Lipid	0.53846157	2.1538463	0.0
4	C14 H24 O3 N4	297.1921	297.19257	-0.13826102	297.19208	2744	2762	2418	3199	0	571	1690	2397	0	0	0	1643	423	0	1952	5205	1619	838	1514	1293	1602	3349	2660	4467	5809	0	2339	0	1814	2320	1701	2549	2345	1695	2616	2025	1733	1992	3922	1951	0	440	0	0	0	2312	1375	0	3065	1715	3398	2153	351	0	632	0	566	6190	0	0	5298	0	389	439	0	961	828	3688	0	0	0	2568	2268	1951	3697	2134	265	2585	2299	0	2087	473	415	703	0	959	2203	614	1125	62903	7945	2779	30006	762	1120	0	2848	3751	0	300	0	2559	2150	1467	0	5707	0	0	4568	468	Peptide	0.21428572	1.7142857	0.2857143
10	C17 H25 O1 N2 Na1	297.19373	297.19424	-0.102891594	297.1937	0	0	2435	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8415	0	0	0	0	0	5676	0	0	0	0	0	0	0	0	0	0	0	0	23201	0	0	6892	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.05882353	1.4705882	0.11764706
22	C17 H28 O4	297.20602	297.2064	0.13678092	297.2061	125580	113141	120135	121691	66279	91875	1012771	95687	41913	58948	78161	56681	50068	369177	91304	122380	138662	81015	75605	69874	60401	68819	74699	71882	98095	135456	967042	172932	119534	106000	90583	121346	130690	103447	53799	128005	120288	90657	138323	41589	65343	98537	42268	0	4932	55816	78654	3693	134028	94349	122151	113085	77270	15958	50338	57261	76191	137855	46765	77010	158712	31540	141326	39599	240504	162018	207884	136598	30258	53872	65316	69125	81389	106511	131292	110756	5379	45000	69263	403794	59549	101522	481217	531478	55985	83513	132687	95504	89331	114658	463608	324902	140180	84058	88112	10670	107411	120583	77598	52350	65445	147789	51546	89078	89254	104611	57700	3291	107740	78231	Lipid	0.23529412	1.6470588	0.0
18	C17 H28 O4	297.20602	297.20642	0.13890293	297.2061	14689	15880	18548	13137	6840	8388	94419	14522	2891	5345	6872	6049	3773	32659	8869	25197	26841	7535	6698	0	3707	5203	7228	5832	10384	27906	92277	15181	20025	19302	11633	19264	8089	15591	3045	13850	11042	6411	28458	1882	6590	16166	3053	342	423	3198	9822	419	16722	9603	11521	13897	12177	618	5278	7116	14372	18748	2249	9377	15843	2687	6960	2337	29273	14737	22106	27210	3144	4678	6503	7338	13862	21694	29447	14565	354	4751	8272	32449	3716	7658	122939	125782	11448	23635	22335	12588	11831	43167	21341	20186	13053	5372	6100	519	17895	16312	6327	11643	18297	13349	5630	10772	3340	13232	13135	503	12685	2716	Lipid	0.23529412	1.6470588	0.0
20	C17 H28 O4	297.20602	297.20642	0.17029715	297.2061	50927	59067	52948	52737	28958	42199	569438	51415	15693	24595	28407	17200	22177	151725	32171	58316	75882	16075	30961	18059	15841	34879	18180	27333	36852	119352	590957	62628	56057	44810	31955	52398	37366	46458	17017	47762	41255	32850	67209	9121	32877	48683	16952	1608	1480	18330	21866	2136	38602	36675	61246	59172	28318	4415	17952	30474	37721	55353	14260	44083	73825	10174	53098	13749	81675	62411	84200	70410	14842	23473	30984	30228	44826	52970	79625	42717	1278	20803	36942	157209	23793	38340	489288	527759	20923	31661	68211	41126	39880	129647	123681	99095	89984	30086	29482	3544	52473	55954	36459	22384	38101	46940	20067	32568	26405	47132	22605	1895	42039	27551	Lipid	0.23529412	1.6470588	0.0
16	C17 H28 O4	297.20602	297.20642	0.1333207	297.2061	3089	2654	6816	7575	2619	2885	20122	4329	0	0	2495	1811	0	8533	2162	5291	9136	1903	2646	0	0	0	1318	4767	3152	10418	23107	3945	5829	10034	3321	5592	4871	3657	0	4926	4306	4634	9930	0	0	3744	751	0	0	0	0	0	7304	6216	5421	5330	1684	247	0	3308	2322	8846	0	2360	7693	0	2247	0	5771	1836	3885	9198	0	2217	3247	4884	4525	8550	10838	5070	315	2747	3781	16292	2286	3196	43528	48571	2140	3020	7084	2844	3420	0	7079	2708	0	1927	0	0	3832	6830	1433	2638	6435	4297	1753	3643	0	0	4780	0	5189	0	Lipid	0.23529412	1.6470588	0.0
2	C16 H28 O3 N2	297.21725	297.21786	0.20622322	297.21732	2614	4150	2749	2510	1468	0	3873	4799	0	1229	0	2837	444	1304	2600	13292	8363	1074	841	1356	1036	1368	1315	6843	3264	0	2085	0	2453	2631	3941	3298	2642	1995	1632	2550	2817	2905	11271	819	1026	0	0	0	0	1306	1027	0	4602	2579	2983	3608	1561	0	905	0	679	10550	0	0	10522	290	568	500	0	545	948	11024	0	1101	796	2849	2456	2454	4911	2133	0	2723	1501	0	1376	0	0	768	295	1197	3306	1194	1402	8300	4142	1835	7662	1500	1759	0	2948	3386	547	246	0	3350	2489	1179	398	20755	423	0	5214	778	Lipid	0.1875	1.75	0.125
4	C16 H28 O3 N2	297.21725	297.21783	0.171109	297.21732	20257	22910	21880	19777	4425	1293	14040	9743	2212	1622	1809	39439	4361	1910	17991	57862	140766	1935	1628	2105	2118	12279	10762	6760	13633	959	11162	0	18011	12654	104177	7246	6519	7071	4659	7199	4788	21522	160722	1697	2137	1386	0	0	0	2867	7839	0	55925	4959	20002	19592	4554	0	2018	1101	1201	79049	0	519	43304	1150	3184	1493	2299	6169	1082	202400	1175	5080	10452	3834	6623	6076	15646	11699	0	30864	23656	4787	51010	700	443	1280	6446	3669	11883	23967	1518	19653	6377	2216	54829	2074	2779	0	18626	23595	1570	2813	3303	5393	31537	1995	0	320111	4096	0	28715	3304	Lipid	0.1875	1.75	0.125
6	C16 H28 O3 N2	297.21725	297.21777	0.19699636	297.21732	5149	6524	7356	4807	1359	598	1976	6689	1232	2303	0	1646	602	2125	2646	34079	3575	901	2295	3150	2299	31908	1131	38071	4536	971	3315	0	3697	1538	2670	2986	3347	2498	3998	4155	4181	1887	4144	0	0	1656	0	0	0	7199	1360	0	6482	3737	6286	8494	1733	0	1404	716	884	29659	0	0	32126	0	0	790	501	2067	1683	6264	0	3335	0	3000	2772	2731	3180	2499	0	1776	2821	0	1285	0	0	1160	687	941	9093	1877	1817	175937	14809	5092	133591	2279	3224	0	6102	6525	918	1255	1041	2940	1192	2097	0	10470	790	0	3538	1497	Lipid	0.1875	1.75	0.125
22	C21 H28 O1	297.22128	297.22165	0.16379607	297.22134	5922	10731	7647	8138	3553	3575	15140	6927	3627	4079	4400	7370	2085	7658	6786	17538	41215	0	7605	4234	6422	2853	4466	7030	9017	11614	17206	6176	8386	11846	5748	15002	9393	7280	5224	14340	7499	10635	34591	2220	6356	7114	0	0	0	1720	3494	0	7306	10395	10243	6982	7240	0	2183	4315	8534	9260	2347	8115	12210	2427	4544	3654	7197	4246	7139	38432	7999	7486	11613	5480	6841	12802	27843	16755	0	6360	19609	9253	10005	3257	7833	5009	9747	6557	25739	7480	9029	38285	6993	6438	6165	2651	3999	0	7969	6435	7617	11819	6614	12128	7605	5778	4003	6313	7372	0	12084	2608	Lipid	0.04761905	1.3333334	0.0
26	C21 H28 O1	297.22128	297.2217	0.20121016	297.22134	22100	22328	23893	18632	15350	8716	21564	29457	13817	11535	23439	15966	11639	13679	19105	35631	44824	8105	19572	18405	19776	13621	12102	20614	30009	54028	27717	27426	28137	38504	22797	28246	25873	17676	15413	36435	22913	21272	50633	17184	22366	16912	0	0	0	9158	12545	0	23471	31241	22222	19102	17451	0	12811	19569	14836	30018	13942	18744	25161	9264	7235	10262	14264	16083	25263	60998	37943	25779	38532	15952	20236	36174	42746	27725	0	16053	31194	24209	17519	17371	17841	16162	17339	16270	59318	14658	20240	59290	20833	17381	31158	21222	16273	0	22226	22137	16711	23435	30179	35035	16477	21123	15113	18456	16335	0	35775	10972	Lipid	0.04761905	1.3333334	0.0
24	C21 H28 O1	297.22128	297.22168	0.200592	297.22134	19433	24285	18966	18839	17788	12038	23391	23524	12130	10326	16649	16801	8499	17552	18436	34280	60709	10398	21332	14253	15577	13372	14309	17319	19871	31522	28275	14210	22182	31817	21733	30324	21756	19115	10696	29050	21996	20444	59273	14713	20122	20570	0	0	0	8968	13054	0	23085	23541	18986	17480	13973	0	14588	15469	16262	28558	9557	17800	24025	9946	9143	10998	16116	13864	22502	61651	26114	15803	31524	11162	17669	26952	48966	27244	0	14557	31640	18928	22557	12944	16474	15026	20890	16200	47059	14515	16202	81953	21116	20563	19832	13265	13627	0	22235	21085	15329	21139	20089	31364	14513	18163	7422	17285	16920	0	32577	6332	Lipid	0.04761905	1.3333334	0.0
28	C21 H28 O1	297.22128	297.2217	0.20759141	297.22134	6623	5981	4874	4582	5029	2505	9358	9010	4078	2016	6391	5121	2497	2714	9397	10498	11226	2384	6579	4977	4071	2977	4911	6338	7101	12201	9039	7440	11233	13602	8108	10395	9548	5787	3543	14406	5823	7916	12782	3265	5063	5730	0	0	0	2530	2237	0	9886	9458	6559	5937	4836	0	4763	4178	4289	9645	4290	4428	8214	2883	3735	4174	4354	4264	9116	14557	13332	4675	5369	4250	5701	14140	9002	9147	0	5229	12687	10360	5051	5069	4543	6172	7281	2849	21661	4606	5288	13856	5615	5017	9189	7451	2072	0	5398	6668	3946	7731	8781	11939	6162	5542	5074	7775	6235	0	7627	1768	Lipid	0.04761905	1.3333334	0.0
6	C15 H28 O2 N4	297.22852	297.2288	-0.02538424	297.2285	855	859	1078	612	0	0	0	0	0	0	0	0	0	0	0	0	868	0	0	0	0	0	0	0	0	0	0	0	12206	0	10533	3367	10653	9716	0	927	22290	0	0	0	0	0	0	0	0	0	0	0	48926	0	1544	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40705	536	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1672	1178	0	0	0	6075	0	0	0	0	0	0	0	0	Peptide	0.13333334	1.8666667	0.26666668
26	C15 H33 N2 S1 Na1	297.2335	297.23355	0.23138086	297.23355	0	0	0	0	2682	0	3581	0	0	0	0	0	0	2335	0	0	0	0	0	0	0	0	0	0	0	0	2066	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6362	0	0	0	0	0	0	0	8439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6563	17219	0	4210	0	0	3017	5760	0	0	0	0	0	0	0	2415	20709	0	0	0	0	0	8935	0	0	1811	Organosulfur	0.0	2.2	0.13333334
24	C18 H32 O3	297.24243	297.24277	0.16819686	297.24246	236128	238789	241022	241090	64822	431488	2929310	62196	13733	73006	284937	27668	38103	2053492	39718	48369	71865	32956	249608	88753	51428	66887	22675	50612	28158	524917	2921294	526675	54284	52424	35834	52751	67445	32609	42924	61554	53412	60820	105550	70139	197062	626489	86961	26191	22322	128631	142741	26280	107184	98603	249943	243697	52419	62881	17660	382101	429694	70249	48491	221472	487051	81954	776189	10831	1936987	71284	455042	118292	155449	161138	185486	41470	32232	67413	37437	96422	27010	21735	28720	1650546	38654	277666	707993	811267	30277	43037	48930	161534	303039	97691	612295	483867	99563	259284	136485	33397	233890	244331	496732	24410	63012	56454	26081	272160	85219	40751	37861	30908	65385	351015	Lipid	0.16666667	1.7777778	0.0
22	C18 H32 O3	297.24243	297.24274	0.14983149	297.24246	23319	23618	18686	25636	2176	8337	188872	2867	0	2723	20218	0	0	57825	1156	2002	7690	0	0	2212	0	2461	0	1438	3215	20090	198897	57930	2147	4367	1941	3948	2206	1188	0	2995	1483	3159	8422	3205	7244	9148	4440	3194	2963	4616	5550	3718	8992	11844	21918	23787	1992	8205	0	4955	5816	3611	0	14810	6904	0	14210	0	43811	4990	8647	7097	2122	3475	8452	2248	1528	2157	4342	8014	3613	1736	0	1770320	0	11175	57350	82340	1964	4139	5033	3789	3183	7626	366330	193528	2466	148819	35011	4749	16770	23534	6625	1551	4367	0	1369	6463	3410	1969	2372	2798	1944	7776	Lipid	0.16666667	1.7777778	0.0
20	C18 H32 O3	297.24243	297.24265	0.14809863	297.24246	0	0	0	1575	0	0	34020	0	0	0	0	0	0	6909	0	0	0	0	0	0	0	0	0	0	0	4103	28175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1310	0	947	0	0	473	0	0	0	0	0	874	0	0	0	0	0	0	0	0	0	0	3358	0	1413	0	0	0	0	0	0	0	1349	0	490	0	0	4985	0	0	24238	24121	0	0	0	0	0	0	0	0	0	0	0	769	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.16666667	1.7777778	0.0
26	C19 H36 O2	297.2788	297.279	0.18034957	297.27887	2100	2731	1983	0	0	0	26057	0	0	0	7401	0	0	28724	0	0	0	0	0	0	0	0	0	0	0	6079	30041	10949	0	0	0	0	0	2340	0	0	0	4056	3150	0	4776	0	0	0	0	0	0	0	0	0	2540	2571	0	0	0	0	2843	0	0	4371	0	3190	2794	0	50187	0	3032	4153	7608	0	1990	0	0	0	0	0	0	2893	0	7243	0	7044	3710	5670	0	0	3349	0	0	0	3308	2199	0	0	0	0	3096	0	6604	0	0	0	2601	7095	0	0	0	0	2333	1834	Lipid	0.10526316	1.8947369	0.0
16	C18 H36 O1 N2	297.29004	297.29047	0.20569772	297.2901	2535	3341	3741	3018	0	0	1992	0	0	0	0	0	0	0	0	39663	8124	0	0	0	0	0	0	13063	8320	0	3443	9701	0	0	0	0	7987	0	0	0	12149	0	6089	0	0	0	0	0	0	0	2394	0	0	1933	4772	0	0	0	0	0	0	35847	0	0	20184	0	0	0	0	0	1411	18636	0	0	0	0	0	0	3485	0	0	0	2459	0	2493	0	0	0	0	0	2849	1726	0	166913	0	0	176693	0	0	0	2465	3982	0	0	0	14277	0	0	0	112793	0	0	4073	0	Lipid	0.055555556	2.0	0.11111111
8	C12 H11 O8 N1	298.05576	298.05627	0.2939321	298.05582	3370	3632	1905	3893	11131	3625	1053	1148	13693	1714	1619	1687	17833	3020	1050	1683	2217	10681	9837	1300	2669	3968	3215	3173	0	0	953	0	932	1103	882	2093	0	0	2283	1500	2152	1377	2158	0	2028	3428	0	0	0	0	0	0	2062	964	5108	4277	7752	0	13169	8570	4663	1581	0	2000	0	0	27787	15972	4155	13494	5294	2233	0	0	0	1694	1066	0	1746	909	0	1286	1474	0	1734	573	0	0	7415	0	1504	6771	5372	4108	0	0	3964	1574	1417	0	2799	4256	5977	11465	8658	3378	1565	1643	0	2295	6875	0	647	28284	Phytochemical	0.6666667	0.9166667	0.083333336
10	C12 H11 O8 N1	298.05576	298.05624	0.2368448	298.05582	6478	6285	3751	4529	15534	7385	866	1594	14234	2190	4000	3666	23592	4806	2356	3450	3273	18724	17444	1456	3195	8042	3783	2365	0	0	2092	0	0	966	0	0	3033	2125	4075	1318	5222	2030	3784	0	4272	6663	0	0	0	0	2589	0	1509	0	5409	9489	10241	0	13545	13043	5601	2992	0	1905	0	0	32279	20119	4086	18421	7987	4089	0	0	0	1880	997	0	3530	0	0	1384	3684	0	2754	0	0	0	10759	3344	3696	8671	7822	6893	0	3161	5705	5210	2034	0	6153	3772	9384	13794	13054	4194	2197	0	0	6587	8753	0	1288	40554	Phytochemical	0.6666667	0.9166667	0.083333336
12	C12 H11 O8 N1	298.05576	298.05624	0.27407324	298.05582	3969	3856	7821	4188	14540	9016	0	3705	16655	2985	5044	5580	22828	6480	1733	2864	6252	21853	19938	0	2677	7672	5238	4334	0	0	2467	0	0	1297	3377	1341	6086	2366	4472	1296	5971	3859	3004	1279	6173	9110	0	0	0	0	0	0	2495	1945	6533	6752	10672	0	18446	9391	5964	5098	0	0	0	0	35352	20030	4625	22161	7355	7958	0	0	0	1893	1868	1232	4618	2243	0	2329	4107	0	2830	0	1079	0	7481	4186	5229	12733	10643	9709	0	0	10486	3061	2536	0	6886	5001	6247	11174	10273	10024	3025	0	0	7682	9186	0	1920	43091	Phytochemical	0.6666667	0.9166667	0.083333336
14	C12 H11 O8 N1	298.05576	298.05618	0.2628157	298.05582	5796	6267	7056	6555	16668	11671	2582	1284	16699	1783	5077	5966	22066	5987	1023	3358	3961	22919	14584	0	2071	6799	4443	0	0	0	1433	0	0	1612	2970	0	8692	1685	3718	0	6074	4008	3238	1343	0	9814	0	0	0	0	0	456	1749	0	3841	4328	12443	0	11614	9583	5563	5839	0	0	0	0	31992	23882	5140	20626	13529	4294	0	0	0	1885	1746	0	3079	1522	0	3756	5456	0	2982	0	0	0	9040	4691	3274	14972	14846	7926	0	2230	6477	4107	2570	0	5191	2103	5623	8899	8680	4347	3634	0	0	7208	7225	0	0	41424	Phytochemical	0.6666667	0.9166667	0.083333336
18	C16 H11 O5 N1	298.07098	298.07144	0.25801703	298.07108	4595	9559	4893	6425	4047	3817	5377	1623	8097	7438	14020	3059	4656	3896	2160	6693	8599	6738	7877	5289	11763	14741	3114	3836	1583	8628	6444	7672	0	2203	2566	3473	6256	0	7956	2072	6258	3144	9466	10804	24074	6168	641	0	301	4806	12904	421	4166	2197	6486	4850	6310	420	3682	4281	2812	3927	4792	6523	6261	5985	4494	6408	2749	4726	6243	6832	10254	8059	16387	3167	2724	0	5172	0	0	2080	11478	22490	5825	8119	4975	5659	6044	4865	7529	6968	6666	14240	5745	5534	4637	17984	17029	0	6066	4596	3239	6267	5249	5341	2795	5724	3941	7772	3655	475	7746	5746	Phytochemical	0.3125	0.6875	0.0625
20	C16 H11 O5 N1	298.07098	298.0714	0.20860496	298.07108	7289	5244	5174	2257	2621	1932	4270	2256	3270	5146	3996	1015	0	5021	2270	4064	7933	3699	4431	3780	2842	11635	3813	4945	4031	2540	2871	3297	1913	3273	0	2119	4543	3190	6016	1313	4116	3949	6554	4589	20037	4647	857	0	471	4956	10885	0	3421	3517	4904	3198	3603	430	2828	1993	2329	2037	1497	6105	4774	2561	5151	2244	1987	5782	3478	6091	4273	4293	9853	2362	1760	1430	3424	1838	458	0	7004	17888	5177	5227	1649	0	4789	1947	4953	4918	3695	15540	5353	2898	6767	15368	6908	0	5052	2931	2718	3202	1898	5656	1782	2812	3505	3301	3291	0	8271	5625	Phytochemical	0.3125	0.6875	0.0625
16	C16 H11 O5 N1	298.07098	298.07144	0.26057693	298.07108	3537	7980	4136	8327	7908	4558	4373	2325	3595	13314	9766	1777	4438	6146	2055	4389	3262	7197	6034	8312	16038	16923	3485	3731	2719	16804	3054	8451	2108	0	1491	4451	3865	2616	16069	1646	5353	3909	6032	13008	24996	4937	491	0	283	6348	15656	483	4799	3345	7579	5517	6800	0	4786	4226	4164	4107	2766	8026	0	8452	8915	5719	3153	7382	5810	7148	15252	19414	31946	2632	1906	0	3272	3227	0	1394	7961	21562	4999	7845	3695	8501	7852	3653	8649	7252	4821	0	6533	5057	0	27653	26073	0	7874	4423	4191	7656	7797	5348	1224	5082	0	0	2980	0	6319	10195	Phytochemical	0.3125	0.6875	0.0625
14	C16 H11 O5 N1	298.07098	298.07144	0.23354547	298.07108	3390	6025	5690	5639	6297	4014	2512	2442	6473	9992	8291	2845	5233	3915	1552	0	1858	6955	7141	3396	9788	10899	3453	4751	2450	9851	0	0	0	2124	3041	0	4220	1951	13644	2073	2697	1921	3977	8213	15508	2525	0	0	0	6117	9817	373	3484	1264	8055	2892	4055	0	4333	4697	2376	2153	0	0	0	2605	8714	2523	2123	7822	4001	3211	0	13495	20950	1841	1465	0	2504	2630	0	2271	5360	0	4342	5887	2576	8023	6193	2556	7180	5564	3949	6829	3611	5533	6900	15622	13817	0	4411	3236	4558	7880	7172	2801	2751	4184	0	5094	3096	0	5074	5846	Phytochemical	0.3125	0.6875	0.0625
14	C13 H15 O5 N1 S1	298.07437	298.07483	0.250778	298.07443	19341	14990	18674	18364	17386	12287	2597	7554	10926	31067	18743	3274	14669	4574	4416	10315	9375	20390	13977	18812	30766	43096	5352	7476	6119	16249	5112	13174	4836	3775	4869	6843	9863	6251	39000	5161	13360	4026	9977	49631	56653	8878	0	0	0	22623	26427	0	12178	2085	19034	16448	15387	0	10488	6786	4788	13514	16279	20805	0	33102	10454	11174	3515	13666	7662	10077	0	18893	23476	5264	3608	3572	6276	2626	0	2665	9925	26078	6398	17541	17748	26925	7773	5482	10294	12590	10982	16133	47165	59931	19291	47532	62018	0	16192	13624	5963	10922	11258	9503	4363	22409	0	15828	10106	0	7791	21129	Organosulfur	0.3846154	1.1538461	0.07692308
12	C13 H15 O5 N1 S1	298.07437	298.0749	0.31166214	298.07446	12376	13419	12957	13211	10101	9788	4386	3729	8553	33196	14138	4416	14210	5311	4488	8794	5576	13788	14674	26210	20396	41310	3438	12689	3921	12700	1874	0	5218	4285	4235	4861	8627	4277	29146	4850	11641	3204	7639	38557	48989	7221	0	0	0	17246	38217	0	6234	2666	16460	11101	8200	0	10430	8105	3873	10523	12158	24377	0	26532	8663	8853	2970	9403	6813	6297	15796	22382	26807	3610	1941	2042	4412	2328	0	3158	4717	16008	3156	16935	14774	19584	9903	5343	7321	5959	7050	12447	35577	49476	14991	37332	57972	0	13289	15296	5852	10069	12961	9615	3162	15456	0	9787	8932	0	4451	15967	Organosulfur	0.3846154	1.1538461	0.07692308
16	C13 H15 O5 N1 S1	298.07437	298.07483	0.2896178	298.07446	13298	10445	9701	18376	16263	10494	1950	2593	9130	19492	8815	2360	20371	4073	3956	6148	4774	15182	14785	11491	17396	35160	5128	7983	4946	5622	0	10339	3945	3898	5763	3247	7437	6612	19166	2970	9487	4472	6828	30709	28874	5232	0	0	0	12339	14197	0	6154	2258	11065	11176	9287	0	4722	5216	4823	8436	9202	14453	6436	18552	6203	5687	3796	11831	4914	5083	7175	10776	12018	4103	2714	1787	3832	2938	0	1255	4654	25478	2194	9137	11152	20170	6251	3614	6844	8321	5206	0	42932	42713	0	28921	42717	0	9723	9464	5080	8831	10526	6921	2304	11549	9853	0	10359	0	4771	22202	Organosulfur	0.3846154	1.1538461	0.07692308
18	C12 H15 O4 N3 S1	298.0856	298.08585	0.14044045	298.08563	2314	0	2251	3379	0	0	2131	0	0	0	0	2128	0	0	0	4204	3964	0	0	0	0	6367	2668	9811	1960	0	1965	0	0	0	1718	0	1848	0	0	0	4238	2132	3610	0	0	0	0	0	0	0	0	0	0	0	2960	2325	0	0	0	0	0	4753	0	0	3697	0	0	0	0	0	0	5047	0	0	0	2182	0	0	1969	0	0	3823	3845	0	3235	0	0	0	0	0	4219	0	0	41142	0	0	36830	0	0	0	1655	0	0	0	0	0	2148	0	0	11210	0	0	5901	0	Peptide	0.33333334	1.25	0.25
4	C13 H15 O7 N1	298.09213	298.0927	0.20231794	298.0922	26263	27040	22530	24281	33943	21085	7759	16622	47919	25673	22632	14744	71808	17097	12616	19224	27558	54759	49810	25414	35138	36517	19525	21445	6502	7409	9973	7386	15036	12289	13965	13893	24907	12496	29013	13351	22050	12213	30537	26038	39512	26465	1471	632	1034	18305	29966	922	18273	16547	25300	23747	31455	1172	53469	50181	23159	21375	16067	23065	21883	17556	79957	60071	22663	47866	22718	25953	16562	10884	18573	11982	12785	11933	7415	13444	616	11587	14519	7849	12074	11342	9602	7860	48289	19385	13933	32475	29686	27828	11136	14404	34017	19886	22851	2038	23011	29744	34457	55725	50481	25417	11234	24314	13386	20668	35229	1033	10959	92251	Phytochemical	0.53846157	1.1538461	0.07692308
8	C12 H15 O6 N3	298.10336	298.10385	0.20541508	298.10342	9809	13017	10706	13791	9864	7904	7674	9860	12790	3964	5454	10371	11758	3816	9374	13944	14019	14596	18988	6505	5707	20901	11877	17974	7293	0	7391	2604	9861	7230	8626	9222	15114	9129	12346	8774	14425	9748	17681	5363	10628	9752	0	0	0	8216	6840	0	8917	9951	10405	12912	11029	0	16638	8549	9581	15562	9012	9053	11715	4689	17058	13870	7909	14859	10311	19127	0	2308	0	9578	8762	6243	7770	5581	0	7759	9222	6585	8284	3799	4549	1681	11260	7181	12632	13919	12300	28027	0	15023	29564	5461	2860	0	11264	10435	7712	9198	6318	15947	8414	7750	0	17820	11366	0	8704	24187	Peptide	0.5	1.25	0.25
6	C12 H15 O6 N3	298.10336	298.1039	0.21670121	298.10342	14683	16379	12896	15548	14560	11029	6408	14828	16939	9573	8080	12320	18272	4937	12984	20251	20771	22601	27744	7641	12933	21235	13944	17505	6947	1098	8275	4388	8821	9993	13051	12743	17776	12985	12133	9710	19379	9757	21924	9342	14704	13836	0	0	0	7518	12208	0	13172	12668	13124	13671	12899	0	21601	10996	9927	16937	11177	15419	17917	6613	25309	12513	11811	16643	17549	30907	2053	3631	2486	10215	8733	9360	9623	10009	0	7246	11329	3278	9763	5500	6171	2466	18077	10117	14377	19970	14786	34573	6675	13317	37730	9841	5333	0	14538	12954	9430	11015	11203	17073	11127	12341	0	20354	12831	0	9079	31133	Peptide	0.5	1.25	0.25
20	C17 H15 O4 N1	298.1074	298.1078	0.19534865	298.10745	7543	11624	9587	7670	10025	6155	6455	5596	5398	22986	28197	3522	5159	7209	3782	10340	8948	8266	6502	20555	25078	19062	6689	7070	5400	52350	6646	30179	3607	4791	3706	4834	6345	4714	18687	3425	10516	4444	8899	21059	49285	7155	1552	0	507	12362	19721	0	5188	3534	15026	10748	6606	574	3315	0	3554	7639	2653	12662	5850	13098	6102	4295	3403	9226	9840	6859	50647	33976	66554	5441	3822	2479	4673	3903	0	4993	9192	27996	7242	11271	5532	20508	3911	4759	9815	8483	5240	18835	9749	9914	11530	25494	23991	0	11072	8936	5032	5172	4782	5430	5062	11801	8956	12229	6314	0	7400	5939	Phytochemical	0.23529412	0.88235295	0.05882353
14	C17 H15 O4 N1	298.1074	298.10782	0.21102957	298.10745	23144	22759	21212	24859	15719	13461	8696	10301	17280	53410	47658	7866	13511	11562	7719	21657	14319	17192	25510	49832	59202	25221	12721	16777	12356	107247	10595	44292	8073	10937	7417	7471	17551	8211	53071	8837	15637	6827	22677	50622	69535	12001	0	0	0	17497	34179	561	10453	8707	19329	21051	16751	308	13492	9306	9664	20290	0	15259	30592	26928	20849	18041	8959	15156	12193	20917	69945	109908	157929	9795	6490	4854	13022	7453	270	7812	19704	38491	15086	18540	9530	26142	13731	9760	15612	15860	13679	41575	27742	20818	35616	37538	48219	618	20915	16918	13358	12703	13559	16006	9280	11346	0	19925	11015	396	10971	18910	Phytochemical	0.23529412	0.88235295	0.05882353
16	C17 H15 O4 N1	298.1074	298.10782	0.22457807	298.10745	25642	29020	22331	22758	13775	13189	12032	14535	18221	61591	70628	7609	7609	11130	9353	22970	13014	16882	23474	49225	62629	55475	13467	16751	10285	117011	11881	50718	9276	8150	11275	9615	16620	7206	59771	8497	14695	12431	20636	50339	96959	13429	641	441	390	26896	34531	623	15883	9038	27441	31260	14666	294	9544	7737	9143	20009	5536	23462	23171	31424	15440	12430	8689	11056	14134	17500	125301	115677	183246	10241	7071	4129	13842	10465	0	7846	21297	74786	11539	21459	12682	39433	13379	8537	24373	16248	14852	56794	39259	29215	34308	71801	86577	412	25474	23026	12558	8240	12614	15927	6983	13626	14868	19684	8498	0	15772	18241	Phytochemical	0.23529412	0.88235295	0.05882353
6	C17 H15 O4 N1	298.1074	298.10794	0.24560107	298.10745	8930	10100	9647	10580	8999	6400	3974	7205	9082	27102	24419	3557	7250	5166	6224	9565	5618	9499	12371	23974	31326	11786	6186	10308	4746	49918	5361	16205	5948	5275	5989	5019	9919	4934	25662	5415	7086	5342	7205	12731	21272	6485	0	0	0	13730	24366	0	7558	7253	11511	9211	8415	0	7932	5902	5273	9262	1167	5307	9605	7125	8749	6801	4261	7658	7177	9377	40047	47219	79172	5492	4514	3243	5123	4187	194	5061	8451	12300	6586	6624	2769	9775	8626	4619	11866	6598	7321	16913	8476	4791	17287	13509	19991	0	12771	9053	9436	6205	7675	9374	3788	5507	0	10772	6397	0	5295	8098	Phytochemical	0.23529412	0.88235295	0.05882353
8	C17 H15 O4 N1	298.1074	298.1079	0.2293042	298.10745	17324	17148	14781	18645	14489	9903	8201	10628	13026	51622	48155	8725	10265	7773	7985	15656	14441	12491	18938	51600	66763	18997	9852	13200	7551	60217	11281	35158	8950	10322	9600	10414	14852	11977	47974	10900	18735	9633	18764	28150	42818	10791	0	0	0	17485	27283	0	16727	9709	20627	15484	11765	0	12049	7038	6933	14946	870	9508	17547	13684	8435	9167	6945	10423	9256	18726	63688	68545	101466	10156	8968	6493	8422	11362	0	6303	16011	17809	10855	7841	3206	21531	9855	5590	14253	15109	11667	29312	10943	7716	22021	25002	43385	0	18702	16047	11981	9520	8629	14264	7997	10753	0	14736	8784	0	9937	9151	Phytochemical	0.23529412	0.88235295	0.05882353
22	C17 H15 O4 N1	298.1074	298.1078	0.26820427	298.10745	4294	6285	3056	4504	2773	1993	2098	3020	2008	7460	14422	2988	0	0	4048	3089	3989	0	0	7685	9630	6270	3897	3997	2269	11074	1391	8498	2829	2663	2181	0	2095	3233	4575	3489	2505	2222	2960	6895	23418	2358	0	0	479	7684	14520	0	3967	2621	5188	4069	2003	517	2131	3028	1400	3530	1841	5232	3352	9527	3400	1648	1883	1602	3876	3617	13178	12338	25208	1473	988	1870	1476	1928	451	1341	4040	9048	2632	7974	3306	7855	1747	1926	4796	2816	3299	7815	4777	5040	3939	10385	8813	0	3017	3197	2033	2928	2794	4499	1497	5256	5205	3702	1862	0	4852	1814	Phytochemical	0.23529412	0.88235295	0.05882353
10	C17 H15 O4 N1	298.1074	298.10785	0.23704503	298.10745	19741	21303	19876	16783	16574	12014	10825	15723	16040	50131	48597	10614	13791	9168	10068	24997	15321	16725	26320	53088	63102	22157	12823	20930	9739	82743	9118	42590	13108	12996	9763	14413	21826	14479	39558	11523	17608	10414	20176	28699	52257	15513	598	0	0	24284	34546	560	14451	15484	23467	22849	12956	0	15712	10573	8113	17593	0	15469	15560	16321	13227	12665	7093	13195	12934	22105	69906	85699	121782	11405	9185	6089	12060	14545	0	9211	18190	24529	12132	11340	3983	25739	13967	7044	15517	16449	12904	30710	12167	8088	25979	29169	44995	0	21277	19209	13237	10367	10049	20167	8932	13839	0	18760	10900	0	12390	15282	Phytochemical	0.23529412	0.88235295	0.05882353
12	C17 H15 O4 N1	298.1074	298.10785	0.21120402	298.10745	18319	16139	21950	18910	19465	10367	10838	14111	16232	33609	34198	9046	9627	7931	8284	17771	19483	17948	24577	42828	55653	21167	12633	14210	8866	80732	10924	36528	12084	8324	9900	10471	18705	11162	53269	6711	16505	10381	16352	40212	58767	13587	588	0	0	18239	31235	386	11376	8416	19308	20406	15840	225	15243	8408	8812	17934	0	15399	0	24608	15646	12611	7015	12691	14454	17469	74911	99619	128666	10662	10287	6450	9162	10417	243	8640	22077	21815	15290	12586	5056	23666	12634	8291	19186	12984	12867	41339	18814	14226	29517	34910	34412	0	20748	12533	10037	8704	9473	14114	6938	8557	0	19449	7360	0	12359	18303	Phytochemical	0.23529412	0.88235295	0.05882353
24	C14 H19 O4 N1 S1	298.11075	298.11108	0.14669582	298.1108	1948	3634	2733	1813	12804	6643	1767	6466	1494	0	0	2054	0	0	2797	3748	3154	27703	18370	0	0	0	3741	5175	1417	0	1591	0	2927	2009	1348	2009	3178	1781	0	2391	3321	3025	3827	0	0	2849	0	0	0	1614	0	0	4379	5932	1722	2642	7905	0	2965	0	1414	4395	1363	2670	2422	0	9290	4085	2425	0	1843	3500	0	0	0	3718	2125	2250	2993	2766	0	2271	1624	0	3238	0	2044	0	28598	0	0	3772	4491	3895	1528	0	2767	0	0	0	4824	3538	3294	0	0	4755	2597	4338	0	1281	6130	0	1101	6312	Organosulfur	0.2857143	1.3571428	0.071428575
8	C14 H19 O4 N1 S1	298.11075	298.11148	0.9990175	298.11105	21744	0	21316	0	0	15133	13094	0	0	0	14481	0	0	0	0	0	0	0	0	0	0	31609	0	0	11943	8666	0	0	0	18461	22233	0	0	0	22785	0	0	0	0	38034	29187	0	0	0	0	17428	19860	0	0	20932	0	0	0	0	0	0	0	23222	0	0	28644	18572	0	0	0	0	0	0	9362	13528	31578	0	0	0	0	0	0	0	0	0	0	0	0	18784	13654	11136	0	0	0	0	18516	21090	0	0	43668	0	0	0	12944	11632	13507	30766	0	0	0	0	0	0	0	0	Organosulfur	0.2857143	1.3571428	0.071428575
8	C10 H19 O9 N1	298.11325	298.11368	0.09083919	298.11328	5405	2990	5643	5853	235062	32295	0	0	9082	0	0	936	50606	187017	0	0	0	22345	22958	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1172	0	0	0	19911	707	788	617	0	0	735	0	0	4677	4266	113165	1085	3199	19342	14121	0	0	0	0	0	3836	5274	21270	23982	25145	0	0	0	0	1330	895	0	0	858	496	758	0	0	0	0	0	0	25965	0	0	5915	8518	0	0	0	0	0	0	845	6250	7621	15202	6088	7642	0	0	0	0	0	149236	805	1003	7223	A-Sugar	0.9	1.9	0.1
8	C16 H15 O3 N3	298.11862	298.11917	0.43469355	298.11874	7848	5152	8330	10730	4262	5272	4482	7234	3340	14474	22130	5696	3548	2574	5716	11767	11394	4419	9043	10082	16704	9144	6734	18023	8390	12830	6132	18884	0	3764	6496	8568	0	5890	14380	5622	9580	6344	12654	12608	19586	3722	0	0	0	11446	18870	0	11214	4534	8168	7672	3640	0	2889	0	2444	8826	0	3692	10984	4438	0	2074	0	0	4818	14402	12958	17332	18156	6472	5504	2666	7835	7652	0	4664	11646	13196	9978	4660	3800	8832	0	0	11642	5176	4116	29682	30200	12896	21792	11662	14710	0	5246	9418	0	2142	0	11358	4334	6656	0	14478	0	0	7980	0	Peptide	0.1875	0.9375	0.1875
20	C19 H16 O1 N1 Na1	298.12024	298.1213	0.5728802	298.1204	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5284	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2472	0	0	0	0	0	0	0	0	0	0	1500	0	0	0	0	0	0	0	0	0	0	26680	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5515	0	0	0	Phytochemical	0.05263158	0.84210527	0.05263158
4	C14 H19 O6 N1	298.1285	298.12906	0.1462436	298.12857	186866	108629	95348	93507	149714	59484	41256	89093	183332	117934	95849	79660	272654	31942	54953	155050	238482	222874	227200	134304	156894	289688	124118	172840	69354	41885	42305	43325	122409	98400	93766	97819	245102	74508	165081	104264	240364	100534	280606	114168	289942	80041	3188	1562	2930	90912	119429	2141	140595	81113	97227	79559	76969	2513	115762	86397	107188	168660	170992	232012	77832	80325	278238	208382	49457	193762	138862	109855	69804	58708	74258	144140	84889	185150	69667	207308	1955	119898	96192	40200	96812	52737	121808	39764	168960	115048	48454	75902	97364	158656	61515	81084	218962	80196	97168	4534	85903	210502	63458	100898	93141	119624	147760	135320	72200	159330	71339	2324	75960	161575	Lipid	0.42857143	1.3571428	0.071428575
10	C14 H19 O6 N1	298.1285	298.12897	0.13540074	298.12854	708619	656896	638900	600249	474767	425851	445451	673526	573505	1015533	490474	420880	671685	244220	481179	749135	572472	890727	863077	1274271	1189466	957664	463945	647748	416101	591430	484277	439094	817280	661974	545460	743361	915281	743319	1177490	705529	889632	417838	670571	1086020	871677	507768	16670	3943	4752	669571	576639	3405	836133	540521	692306	682029	538317	5946	922901	421060	257482	792481	662175	551237	824667	621564	516112	596058	237351	621364	458408	657786	609395	904531	709123	586158	621431	651859	653908	624593	3467	393663	417780	382807	360744	466260	535843	475381	434065	378275	466044	495082	557204	593087	580724	847351	793458	585710	1003855	8425	676251	762528	363569	325304	369276	864363	412622	861260	379570	593553	453242	3739	375288	740306	Lipid	0.42857143	1.3571428	0.071428575
6	C14 H19 O6 N1	298.1285	298.1291	0.12767807	298.12854	469638	541640	238554	494238	168463	122224	284644	500938	213469	337692	205934	308120	286451	73215	355042	530680	433960	306485	591176	340818	413201	345048	324972	525812	100539	133012	134366	126485	303382	245449	490146	610162	342824	537316	414244	563162	328864	319098	580898	233597	688306	173599	0	1853	2528	239622	300403	1645	373871	435522	508502	513486	183043	2704	586066	206182	216580	513660	220902	554036	240469	183886	255658	202757	85726	222229	188894	562196	178625	204730	260029	480264	540758	262955	134966	217443	1820	142686	291360	106732	131429	324134	180388	126046	169403	138618	159705	374422	238587	282263	148569	242438	654392	408962	265483	2935	247501	472734	113856	159366	183664	326853	325340	309851	160559	457424	314926	1768	238778	349521	Lipid	0.42857143	1.3571428	0.071428575
8	C14 H19 O6 N1	298.1285	298.129	0.13222043	298.12854	413502	486810	349572	465106	280322	241451	304870	421835	362414	550773	318583	297392	410415	126768	320532	488939	503980	496672	559174	709143	708880	634808	320008	465763	228552	354866	318711	246710	472210	396362	364948	471724	519728	425799	790024	445224	519980	272950	613420	619837	672417	324769	7639	2347	3231	458297	497616	2135	530260	378006	438638	430928	316689	4216	590338	267408	210016	407160	430831	424669	441139	416357	387532	422369	168500	358833	275022	524471	395739	439415	526990	375093	415302	367852	371909	450264	2090	273479	319451	268314	255481	324832	372862	325127	276548	209579	307380	335388	372639	492829	302700	501819	578516	405803	540166	4736	433584	474571	253043	253837	270423	537586	290249	566809	216997	391670	283744	2041	248663	499611	Lipid	0.42857143	1.3571428	0.071428575
12	C14 H19 O6 N1	298.1285	298.12897	0.14794926	298.12857	666726	775548	762048	725563	478516	430006	479040	587171	530786	936210	440303	325425	528932	219286	439337	858845	616961	876319	885615	1268043	1083389	1035025	453211	706362	439227	529937	457050	409770	719153	647820	563808	813902	836239	724798	1048233	683942	968523	416884	667139	1079258	801608	471967	14017	4167	5293	615378	502722	4043	838045	582604	760807	751315	525750	5220	866289	345677	307904	823939	600183	462493	769404	644644	583860	566317	215853	582856	447063	600569	560007	875924	683584	557098	607222	619445	644002	633321	3035	435210	371484	372145	327444	411104	501050	504160	362313	357152	480845	462026	521463	684978	881291	1131958	877547	488925	977929	7211	764320	764071	351100	282526	311426	945801	368520	792761	312284	641647	429841	4364	353879	788033	Lipid	0.42857143	1.3571428	0.071428575
0	C14 H19 O6 N1	298.1285	298.12915	0.1417725	298.12857	11769	11210	11592	12316	15840	9392	4074	15125	15539	12013	7952	6557	29460	7651	6171	3796	8159	26246	21362	10974	23546	17226	8606	11459	4830	4500	1745	4197	16761	6858	10857	15014	23554	15237	19300	12688	17953	4315	8826	13336	9502	18470	0	1702	2730	9881	6537	1213	19151	9356	12327	10892	16665	1558	17552	21103	5735	18094	7503	6009	8270	5918	23971	17789	12341	21667	23312	8869	5669	10138	7147	11261	20171	8886	2411	14947	1688	6832	5450	12200	4905	3244	4859	3794	10882	7821	5815	13231	17157	6797	11543	11423	17967	6521	4150	1999	11603	13280	9117	11256	12972	13291	4712	10878	5051	16643	11804	1386	3898	34718	Lipid	0.42857143	1.3571428	0.071428575
10	C10 H20 O2 N5 S1 Na1	298.13083	298.13123	-0.6012173	298.13065	0	0	0	0	0	1264	0	0	0	0	0	0	0	0	0	1319	1248	0	0	0	0	0	949	0	0	0	0	0	0	1651	0	0	0	0	2379	0	0	0	1751	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1340	955	0	0	0	0	0	0	0	1242	0	0	0	0	0	0	0	0	0	1632	0	0	0	906	0	0	0	0	0	0	0	0	0	0	0	0	79629	0	0	0	0	0	0	0	0	0	0	1706	0	0	0	0	0	0	1480	0	Peptide	0.2	2.0	0.5
6	C13 H19 O5 N3	298.13974	298.14026	0.111572795	298.13977	63110	64178	60287	62737	35956	29250	40207	65510	39972	41956	30431	44915	43712	17761	62657	80956	64268	77896	67946	48263	49450	87905	58163	84748	41760	7571	39031	27272	55515	52822	63790	68216	85045	60155	61707	58199	81559	52676	89266	42425	61389	36525	0	0	0	53170	57172	0	74543	53957	60174	64042	36503	0	59307	21038	29650	83263	55091	62318	76395	32775	45237	38219	27375	46862	40532	89351	11547	21827	32242	58673	51592	54643	34588	51781	0	39420	50098	28859	42988	35801	46124	23298	35148	36415	58552	45767	42320	134177	86527	124265	152966	34883	43930	0	58481	52100	22999	20713	29730	76624	46019	73213	33759	78562	33007	0	46601	68003	Peptide	0.3846154	1.4615384	0.23076923
4	C13 H19 O5 N3	298.13974	298.14032	0.11277287	298.13977	54741	61289	55581	56384	38609	29749	28361	50076	54747	38698	24061	33863	59564	17790	46590	54991	67590	582346	67874	45404	51511	85482	54352	61523	31781	10433	26244	20373	37724	37761	39742	39910	58779	36369	55107	41233	56604	41442	93827	46272	54786	34799	0	0	0	48461	56787	0	47439	45002	52227	42540	34988	0	74883	35497	31276	51076	52726	54810	52985	38571	67579	56453	28695	47615	32961	73535	22380	23040	24634	39958	33890	39595	27890	34557	0	32696	42076	38151	38566	31297	32861	17775	49390	37301	40989	45850	35279	90725	71801	80269	113238	36595	36745	0	47436	61714	38651	38568	37696	50131	36263	64190	33753	52797	49016	0	33435	77473	Peptide	0.3846154	1.4615384	0.23076923
8	C13 H19 O5 N3	298.13974	298.14023	0.083511025	298.13977	40284	39093	40178	35821	19348	18395	30754	44983	20431	22092	13428	31499	21291	9819	35143	58812	41548	30169	41010	29919	22168	51584	34430	64582	33213	3514	31424	17800	35914	33717	34044	41735	49284	40431	30727	37024	48139	36009	54754	26009	31907	24589	0	0	0	34387	36435	0	40999	37495	35025	39391	20547	0	31390	11436	18386	49711	34254	32715	56710	16759	19944	20368	17347	27269	20839	58057	8035	10152	10284	37815	32597	31193	29381	31599	0	28101	42240	27223	31535	20908	24471	13024	22636	16900	45652	28345	26682	106664	41550	54098	113862	21960	19967	0	38829	39175	14710	15193	16832	45659	26184	38477	11879	50799	23196	0	38498	35501	Peptide	0.3846154	1.4615384	0.23076923
12	C13 H19 O5 N3	298.13974	298.1401	-0.05352165	298.13974	8355	5774	5927	7968	6407	3543	9656	12028	4538	2019	3077	6926	0	3545	10734	13031	10496	7573	9778	3790	3801	7773	10058	12966	8154	1361	4611	10870	10445	9221	8362	14066	9561	8796	3493	11180	9847	8155	9757	4272	0	5680	0	0	0	5572	3735	0	7744	9130	8704	11065	5597	0	5247	3108	4975	14758	0	0	0	0	5405	3826	4323	6951	4499	10089	0	2878	3510	7852	8921	7941	10551	9282	0	7203	12538	0	8331	5313	8753	2269	5249	4871	12359	4581	7317	29111	28959	22341	17134	5556	2818	0	8604	10180	3055	3068	5021	9322	6728	5966	0	13544	5688	0	9131	5971	Peptide	0.3846154	1.4615384	0.23076923
10	C13 H19 O5 N3	298.13974	298.14017	-0.010878782	298.13974	17052	19844	19226	16387	11424	11714	12769	23143	10968	14680	5865	15845	10383	6468	15086	25396	18919	17643	17606	11515	10039	27238	21916	28716	18168	3870	17788	16133	20682	14602	18376	20913	22552	17232	10285	16935	27660	16958	22768	13103	15171	10410	0	0	0	14645	9975	0	20010	18532	20026	15975	10060	0	16189	6033	7288	25682	15756	15269	28522	6140	9435	9560	8169	12418	12574	25799	0	9140	9901	20014	16207	15612	16655	16045	0	12502	18133	16121	17451	7713	16126	4735	6836	9319	22446	12862	12614	46356	41109	34607	47711	10081	12221	0	20137	16415	5862	5923	7064	22494	16124	18618	0	27397	10309	0	20120	14066	Peptide	0.3846154	1.4615384	0.23076923
20	C18 H19 O3 N1	298.14377	298.14417	0.25529993	298.14386	9809	10376	9535	8547	5889	2268	2223	5395	4528	20831	30637	3554	0	3761	3926	7349	9983	2211	5196	24862	24562	12554	2510	13897	5397	75584	4123	34362	4491	6345	3731	4092	5905	5541	13143	6064	8075	2818	8859	26403	52310	5681	394	0	0	9018	17038	0	6535	4378	10774	10393	5270	244	2352	2255	3112	6238	4688	12614	9856	12488	2900	1495	2433	6050	5943	11098	68958	48442	81802	4739	5130	5658	6907	3850	0	4730	7588	24576	3646	7435	6688	22683	3190	1875	7229	6727	5518	24420	14983	11702	19781	18576	17201	779	6756	7230	4869	2008	4134	10134	4121	11389	8184	8758	0	0	6761	3036	Phytochemical	0.16666667	1.0555556	0.055555556
6	C18 H19 O3 N1	298.14377	298.14426	0.06887074	298.1438	9031	8862	6606	8289	4170	5432	2908	38810	4364	24254	13376	3952	2748	3935	8923	12915	6928	4695	7023	23064	26581	5981	3868	8422	5705	41209	3770	11341	7123	6422	7792	6060	9910	9354	16079	6750	9453	4104	9008	9760	9462	4514	0	0	0	7953	10543	0	9356	21192	7096	8621	2983	0	2632	1747	2447	7637	0	2117	10079	5348	2578	3114	1777	2822	4607	8789	20911	39168	48936	6837	7256	5498	4727	6258	0	3688	5299	8801	3927	1444	1027	11394	1843	24043	7432	5834	5661	13651	12162	1566	10586	9125	18399	0	8009	8648	2436	1710	781	8354	3677	6408	0	7601	873	0	3429	3007	Phytochemical	0.16666667	1.0555556	0.055555556
10	C18 H19 O3 N1	298.14377	298.14423	0.11822468	298.1438	9125	5925	8143	8544	3584	4253	4762	5395	3139	31868	29410	4167	2501	5224	3261	10080	5660	4346	6525	39165	37495	5780	4143	10256	5654	64380	6183	27181	5846	4660	3671	5900	6865	5891	28820	6674	10038	4880	7460	14522	15948	7020	0	0	0	8623	11859	0	9795	6716	9931	8483	5396	0	1597	1299	1859	8166	0	3203	8742	5841	2854	3319	2007	3737	6247	13829	43435	62314	69397	4607	4455	2974	5895	3467	0	3105	7041	9073	4381	1969	1321	14425	3421	2198	6597	5529	5466	14970	9183	3335	10723	10971	22021	0	9161	8016	2607	1565	1168	10032	2136	3207	0	9145	1524	0	5070	2056	Phytochemical	0.16666667	1.0555556	0.055555556
14	C18 H19 O3 N1	298.14377	298.14423	0.16893896	298.14383	7966	8131	6272	7646	3605	4650	1774	4258	4133	20821	24478	2882	2743	3838	2223	7865	6268	4209	2265	20546	29172	5616	2072	5064	3518	51429	3823	20960	3595	3633	4986	0	6693	3629	20660	2122	6573	2504	8251	15178	19743	4504	0	0	0	3860	7951	0	7686	3443	8380	7214	4137	346	2080	1552	2465	8229	0	0	0	7164	0	2544	2115	1937	3695	6692	26942	53173	55357	5685	4589	2500	4661	5725	0	3375	4777	0	4704	2940	3759	12635	2327	2404	5866	3453	3659	10971	7936	4463	10394	6701	15027	0	8171	6858	2363	1220	2336	10330	2288	6863	0	6354	2486	0	4995	2255	Phytochemical	0.16666667	1.0555556	0.055555556
16	C18 H19 O3 N1	298.14377	298.14417	0.16143256	298.14383	5651	5888	7647	5277	2618	3665	3310	3667	0	17857	19902	3522	2813	4317	1967	7923	9375	0	5626	20313	27541	9344	4915	7287	4037	52579	3542	19432	2344	3586	3269	5492	5915	4109	13372	2000	6575	2421	8805	18684	32869	2795	0	0	0	5500	11500	0	6854	3683	6943	8884	4946	0	0	1738	2921	5872	2462	8530	0	9735	1807	2006	3316	3737	3727	9088	40970	42719	71086	3173	3409	3114	4589	4098	0	2366	7170	12387	5822	7405	4479	13844	0	2923	5815	6218	3708	0	9372	9218	0	12638	16846	0	8396	8998	2645	1072	2071	4004	3287	3414	0	0	1179	0	4732	1853	Phytochemical	0.16666667	1.0555556	0.055555556
8	C18 H19 O3 N1	298.14377	298.14426	0.09031223	298.1438	14667	12826	13866	14962	6030	10272	6740	18960	3666	35433	22855	17624	2639	4711	6405	60898	10571	5533	10156	38329	37357	6088	6714	11268	5611	59630	9325	30852	9951	8969	36853	12831	13926	15587	29883	7676	15427	10907	11910	12865	12042	24937	0	0	0	9178	12575	0	29907	14723	12258	16057	10003	0	4679	1723	8990	22508	0	2959	68381	6825	2713	5099	61991	4605	35202	15045	36138	58603	62985	12646	8322	5524	9208	8304	0	14914	5743	12882	4702	1226	1447	15430	2938	10454	6470	22067	33117	20303	0	0	17021	9301	24461	0	14983	14157	5016	1063	2041	14920	13312	4417	0	9738	1753	0	7621	3238	Phytochemical	0.16666667	1.0555556	0.055555556
18	C18 H19 O3 N1	298.14377	298.1442	0.2222148	298.14383	14154	11125	10678	9244	3935	4303	5040	4957	3344	29161	31147	4291	3245	4990	4741	8763	6730	4801	7901	24634	20966	10807	3809	8350	3361	71785	3940	34008	3859	5294	6217	3414	6719	4809	15216	2992	8783	2695	11083	29366	43789	4555	0	0	0	10040	16870	0	9442	3416	11198	12054	6123	0	1993	1509	1602	9125	2966	11976	8922	12173	2725	1390	1777	2904	9346	9810	63252	52234	83493	3773	4580	2284	4474	4743	0	4073	6834	21875	5287	11660	5318	22076	2589	3280	7443	7931	6896	12354	16752	8288	9905	16357	25740	0	11495	10487	4299	1338	4118	10362	2530	11595	6127	5942	2018	0	6302	2634	Phytochemical	0.16666667	1.0555556	0.055555556
22	C18 H19 O3 N1	298.14377	298.14413	0.20276603	298.14383	8644	7331	7235	7996	3812	2736	3320	4173	1830	14926	39704	4030	0	4553	3662	5140	5289	0	3033	18539	18241	9384	4028	9066	2439	50224	2085	29370	6496	4116	4717	6642	5032	4002	14180	4471	3827	0	5572	21563	42809	4539	0	0	0	4294	11552	0	3300	4201	7066	5679	3061	357	0	3045	2987	3271	4220	8544	6400	11809	1636	2918	2019	2555	5796	3645	54101	24057	53032	3637	5526	2183	2900	4542	0	2462	4297	19669	5393	8309	5049	25031	2519	3236	3906	5653	3035	10286	12639	10379	8162	17104	9340	0	9259	5129	3648	2855	4206	7602	3636	8282	10150	5749	3460	0	4306	3029	Phytochemical	0.16666667	1.0555556	0.055555556
26	C18 H19 O3 N1	298.14377	298.1442	0.4574305	298.14392	2582	2083	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1754	0	0	0	0	0	0	0	40619	0	0	0	0	0	0	0	23464	0	0	78860	0	0	8998	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13986	0	Phytochemical	0.16666667	1.0555556	0.055555556
12	C18 H19 O3 N1	298.14377	298.14423	0.0986283	298.1438	5505	7511	7774	7880	3157	2624	0	3660	2540	23693	20899	2292	1351	3143	2918	6763	8307	2526	3417	28114	35130	0	2878	7324	4555	53244	2300	23838	3761	4305	3353	5610	6923	4435	22095	4116	6335	2573	9347	16706	19523	3603	0	0	0	4950	8395	0	4490	4105	3971	6752	4067	0	0	1517	3977	4994	0	0	0	7206	1231	1400	1523	3077	3278	9936	32913	49849	55279	3505	3148	2328	5602	3634	0	2323	4241	0	2637	946	0	14968	1565	2600	5447	4431	2859	8843	9187	3069	11091	6504	16917	0	6659	5285	1826	0	1397	8477	2141	0	0	6280	2987	0	4296	1739	Phytochemical	0.16666667	1.0555556	0.055555556
10	C11 H23 O8 N1	298.14966	298.15005	0.053992182	298.14966	231761	209599	219308	209811	150953	138501	14829	7410	36348	117563	251177	6525	83035	249521	8266	8780	4750	21244	41572	10910	16992	9817	3308	9777	28306	72702	11870	632780	7109	4153	7088	10811	8078	15448	77087	6743	6136	7794	3755	224388	7600	91497	28263	11974	10336	256738	45094	22526	5035	3232	210661	178520	78734	16168	128128	18100	199313	8971	917654	10575	41362	435338	137473	72428	462938	612365	836095	4808	81021	77329	59189	5842	4642	6124	0	5800	10850	6874	11330	460599	12350	141488	13786	10165	111707	236287	8616	39078	45454	4736	143097	110446	8632	80356	36854	11736	216210	257247	59306	17619	83141	5039	6339	48093	10467433	5869	92509	28510	16649	23236	A-Sugar	0.72727275	2.090909	0.09090909
6	C15 H23 O5 N1	298.1649	298.16544	0.09415132	298.16492	132925	273470	253696	145653	67696	121400	76667	281242	71748	185458	75821	148730	98008	31264	176756	136854	204500	101944	123410	215280	226984	196900	84518	299898	126090	98442	73610	58517	285586	274172	271954	305398	403806	260540	252984	267966	381134	157590	275540	153690	169577	61099	1482	859	1373	147784	146320	962	206489	243266	284042	133812	128882	1366	96280	50617	76282	318450	72764	108709	280746	91609	97069	70037	58394	84054	148114	257666	103940	190794	209642	272810	127647	237122	163814	251748	1124	155914	155652	54708	134998	72721	83071	81963	56590	44496	92764	62296	78656	300760	145707	174916	171161	94107	153361	1096	262678	228920	36471	55230	68411	336240	149174	207865	65233	236006	48644	944	135284	129725	Lipid	0.33333334	1.5333333	0.06666667
14	C15 H23 O5 N1	298.1649	298.1653	0.11213694	298.16495	287187	289559	263759	280453	269725	235194	271069	331891	213350	236438	172660	190573	357037	238553	220711	393860	416766	440712	413565	495543	584151	338493	251291	342798	232355	561890	242315	194595	368441	358191	240677	314728	410903	306184	305074	368830	358869	173442	398260	292790	326839	286608	11203	1980	2502	285856	321084	2647	343308	266580	254085	255169	257938	3966	317540	270480	137543	388388	213870	268372	361905	203510	286091	236745	153551	300334	252663	365486	374590	427217	359514	238892	268728	298159	361021	299892	2014	186106	247178	252176	186462	188102	314030	255210	314454	204121	292109	266738	276267	423583	364403	343255	443090	205461	376321	4468	269188	344321	196835	291621	417683	420506	183608	395168	144241	285178	299049	2778	202590	243239	Lipid	0.33333334	1.5333333	0.06666667
20	C15 H23 O5 N1	298.1649	298.16528	0.19574724	298.16495	59054	58605	56826	48113	91197	61296	42768	59615	61497	45360	29252	51784	102623	58233	51725	83871	79103	113861	104840	63663	61498	43390	63237	70528	51837	41477	51682	33035	71053	60576	42815	71579	84815	67255	36097	59639	93137	39787	68695	44478	50829	64195	5088	4175	3749	45973	64968	3467	77400	48949	57169	56997	69920	3060	75211	100595	51684	75109	43768	55461	66949	32819	64798	66004	44311	75684	65232	68174	31799	35585	36497	46506	57225	56699	71179	49020	3437	40911	61639	52157	46288	38645	46511	30470	96649	49204	74853	63088	55414	84079	78670	77023	87242	41342	53264	2961	66323	70622	59896	94155	121583	102455	36711	78208	39861	62253	81915	4338	58297	72333	Lipid	0.33333334	1.5333333	0.06666667
10	C15 H23 O5 N1	298.1649	298.16534	0.07135682	298.16492	186832	151583	157296	139016	113936	80169	136921	239278	95146	166088	86863	124164	132634	58345	135511	232832	179658	155946	172071	244291	244052	215696	142406	264883	129195	216858	115242	79825	218556	191300	146043	186839	210932	173709	184724	212146	195138	106291	195140	184344	202732	111709	5206	1926	2691	182971	196148	2055	202050	194978	163088	160956	107124	2609	143810	100084	61080	221871	121097	173415	230468	102916	108571	110085	51253	127557	86135	189789	184913	225960	197888	175574	157679	184876	172721	177729	1533	108278	141501	108816	122774	116449	162940	97572	132589	90620	140690	102735	103628	210898	155259	184499	273145	135412	223197	3498	158962	192144	76343	108080	139647	216734	105838	249605	80771	151989	108307	1820	131859	133853	Lipid	0.33333334	1.5333333	0.06666667
4	C15 H23 O5 N1	298.1649	298.16544	0.08150344	298.16492	109563	125246	108042	112789	66243	55741	53694	119732	74758	162070	61448	67552	123795	36986	73752	114887	110031	188918	226984	200425	200747	415522	75443	113313	117128	102073	56318	47703	100082	86969	100394	104738	142289	94729	233303	107285	134296	134380	144855	191294	361486	61567	1434	860	1365	134014	156612	1079	125100	101779	119900	93529	62288	1228	101169	58742	35194	127168	72563	101674	112005	106463	112175	80636	27517	91715	57585	110035	114325	175753	179505	97745	90647	204136	66516	177576	827	152756	144322	60744	64268	72321	80438	83526	57036	40829	79294	54335	68231	254196	177602	401262	338670	98043	164460	2110	105324	122143	47832	67564	65992	119340	66752	191414	85712	183780	48861	1338	120196	137293	Lipid	0.33333334	1.5333333	0.06666667
8	C15 H23 O5 N1	298.1649	298.16537	0.08000555	298.16492	136298	138323	107941	139732	71247	48459	84731	162374	69812	146364	74709	88592	101245	41025	99229	191150	137095	86726	116437	194482	194447	185546	114385	202312	82895	118210	84080	58686	136562	133602	120661	151411	151461	125969	199269	135411	151606	87949	158547	171018	179152	69491	2427	1016	1437	147380	144883	1072	182495	131484	126888	134384	67731	1670	95776	55589	46734	145528	76749	112573	155111	97709	90717	73822	39172	84350	67187	158592	118478	154203	162957	131293	125304	116305	116747	144227	1055	87148	115138	79980	93548	77839	109673	99882	66121	49305	104072	66672	78201	183099	127085	164218	205905	105281	153352	1695	132788	142208	46990	66972	69772	140779	78612	203436	43034	124817	62668	798	96820	103330	Lipid	0.33333334	1.5333333	0.06666667
22	C15 H23 O5 N1	298.1649	298.16528	0.25120014	298.16498	16019	13557	12678	13845	86632	15108	12421	14009	17293	5749	5995	12645	24207	30728	14676	21499	25118	32948	23301	4002	8896	5760	15032	14343	12786	2989	15477	4272	13817	14719	11938	15929	16534	16451	5000	14289	15538	11854	23179	3581	9257	25872	2441	5331	4827	7713	6731	4165	13720	12888	14307	14317	39477	4240	25269	21982	25960	15237	9786	10067	19652	5556	24410	20908	31963	35896	24147	23521	3876	3818	3234	11796	13487	12202	15126	10310	4446	9700	13569	7299	11719	5907	7317	3575	44627	22846	16829	17419	15836	12673	13047	13591	10795	7013	8623	3773	14217	17572	17917	36260	46389	21736	10873	13367	5346	10238	40413	4308	10380	30817	Lipid	0.33333334	1.5333333	0.06666667
12	C15 H23 O5 N1	298.1649	298.16534	0.0996621	298.16492	181949	193887	203453	209576	180775	122071	196357	306497	126244	185616	114233	139498	188107	93060	171053	250626	318843	241956	291281	308147	342761	292250	203666	246678	178138	304890	121550	107517	302238	192091	201592	217874	291108	242043	237251	235712	233313	157126	333833	220548	237602	163054	6482	2283	2278	242170	221183	2381	253490	196400	197640	181423	170325	3211	211023	160219	104401	283030	175639	251872	209972	155665	182762	152699	85178	197604	142842	269638	228355	299695	305333	184430	192729	202916	211911	201611	1470	166445	194257	147918	156377	163991	209692	148102	195736	131274	214581	136985	167216	537191	244664	292809	412420	166055	215483	3229	186282	247662	118387	158227	217080	270998	135683	219919	122432	221786	180041	2310	161088	187867	Lipid	0.33333334	1.5333333	0.06666667
10	C14 H23 O4 N3	298.17615	298.17657	0.09330218	298.17615	8043	9141	8401	9479	5257	4520	7858	12436	3359	3829	5385	6066	5166	2501	9815	13083	12627	5633	9621	6292	4577	13678	8570	13743	8730	2034	6267	5064	10904	12240	8699	13280	13326	11632	7188	9478	13615	6913	13697	8734	4660	5986	0	0	0	6828	6824	0	10875	10039	12872	10408	4566	0	5625	2605	2375	16581	2880	5401	12950	4414	6165	3368	4233	4596	3814	18346	0	3287	4900	8855	9987	9295	8266	10244	0	7457	11392	8691	7197	4801	4784	3989	3276	3587	10058	6080	5215	21123	28912	18711	21906	8022	8676	0	9390	8298	2229	3197	2767	11739	5274	8254	0	12758	4414	0	8739	7142	Peptide	0.2857143	1.6428572	0.21428572
6	C14 H23 O4 N3	298.17615	298.17664	0.091257386	298.17615	39975	42067	39805	39875	14099	17430	21966	57695	12700	45848	17186	20820	12917	7941	32574	48204	22387	22538	25694	57608	48654	48028	27720	62020	40582	7878	24376	36632	54388	46545	49069	50888	59956	56648	52368	50802	57091	24735	30949	45731	24122	15308	0	0	0	47990	25061	0	58672	43046	38251	37280	15775	0	19855	6229	9657	55470	11243	11778	50209	16152	13845	12937	7949	17945	18783	36988	7225	35517	14608	56789	47678	55707	27227	43409	0	26985	24360	74258	20545	12686	17918	19348	9013	11381	30063	17707	22323	50823	292072	105314	82274	30137	37585	0	42797	36609	7766	5984	9091	53809	24202	55713	17078	54923	9977	0	28354	19353	Peptide	0.2857143	1.6428572	0.21428572
8	C14 H23 O4 N3	298.17615	298.1766	0.12959062	298.17618	20719	26274	21103	24040	13910	8850	15688	23271	13198	46389	24002	13600	12260	5846	18125	25557	19528	14249	24228	32527	24391	37454	17300	29505	18744	32602	13584	23436	19486	18430	18185	23587	23922	19739	51922	18199	33224	13764	21064	19725	12174	10536	0	0	0	24217	17841	0	21713	20321	24747	24275	10937	0	12446	4984	7510	29125	4740	5479	20934	8241	12793	9603	7406	11510	11437	23822	35744	55417	56117	23292	16555	17753	12731	19738	0	12907	15125	13201	13044	7760	7328	9639	11830	9877	18574	12293	15377	37561	58390	45194	52011	12612	13862	0	21021	22094	10312	7025	5088	25952	14497	26532	0	24192	13068	0	18746	17224	Peptide	0.2857143	1.6428572	0.21428572
8	C19 H23 O2 N1	298.18015	298.1806	0.09189887	298.18018	7054	6131	5709	6691	0	1208	3145	24153	0	12154	9131	19892	0	917	8464	19313	8098	0	958	15872	15800	1712	6044	14249	8430	12927	6082	6666	16856	17036	19172	18084	10799	16326	9918	19704	12201	9552	9543	6498	0	6592	0	0	0	4361	3962	0	20129	22936	7994	6788	2225	0	0	0	1597	10441	0	0	13086	0	0	0	2229	0	5056	16411	5981	10858	10878	24016	17531	17028	13338	14783	0	22457	4859	2787	5073	0	0	5300	0	0	3331	2910	5218	8348	0	0	10639	2047	7161	0	7411	8289	0	0	0	13175	17580	2255	0	15165	0	0	4820	0	Phytochemical	0.10526316	1.2105263	0.05263158
16	C19 H23 O2 N1	298.18015	298.1805	0.1564303	298.1802	4069	7007	4424	4309	0	0	4470	1780	0	2088	3835	2253	0	0	1465	8086	41144	0	0	4848	3081	0	0	3776	14027	14018	9680	5645	11293	2179	2478	38964	35202	34888	2522	26813	29500	1902	39310	0	2359	0	369	0	0	0	0	0	11548	1318	4518	7288	0	0	0	0	0	17135	0	0	0	0	0	0	0	0	0	56438	5454	4202	9056	1266	2956	0	46206	3065	0	1408	1586	0	0	0	0	0	0	0	9855	21339	4698	0	3663	0	0	0	3602	0	6254	3865	0	0	0	50473	1825	0	0	20985	0	0	2443	0	Phytochemical	0.10526316	1.2105263	0.05263158
10	C19 H23 O2 N1	298.18015	298.18057	0.05790843	298.18018	6594	6989	5005	4654	1046	1367	2440	6186	0	6768	7631	5088	0	0	4803	11454	3505	0	1163	10346	11375	0	10563	131796	7850	19020	5442	12177	7262	12044	7344	6223	7272	8111	4854	6884	7783	3593	4340	3778	0	2882	0	0	0	14813	3022	0	6131	7760	8250	6911	1172	0	0	0	1079	8357	0	0	12114	0	0	0	743	0	1093	11270	9613	14881	9645	10787	9287	11864	7489	7325	0	4482	12352	6769	5897	0	0	3784	0	0	3638	2106	3263	29722	33806	0	15029	3049	12464	0	9154	7166	0	0	0	7498	4968	0	0	7828	0	0	4050	0	Phytochemical	0.10526316	1.2105263	0.05263158
22	C19 H23 O2 N1	298.18015	298.1805	0.19437683	298.1802	4257	3668	2036	3850	1743	1970	1728	3071	1273	2898	5562	5094	0	0	1290	5359	4270	0	0	3712	3933	3327	0	3577	2606	26049	0	8152	4320	2689	3326	5299	3573	3512	1511	2870	4881	1621	3644	6667	18973	1143	0	0	0	2797	12006	0	4158	5266	2148	3566	0	0	0	0	0	2499	1874	4886	2931	4383	0	0	0	0	0	7600	25431	9520	23563	4756	4091	2260	2068	4224	0	2759	1605	6580	1508	4948	4081	5766	0	0	1925	1606	0	6049	3647	0	0	3388	6163	0	3078	1638	0	0	1441	0	4166	4244	2684	4091	1093	0	1996	0	Phytochemical	0.10526316	1.2105263	0.05263158
24	C16 H27 O2 N1 S1	298.18353	298.18387	0.25437224	298.1836	0	1021	0	0	0	0	0	1710	0	0	0	0	0	0	0	2561	0	0	0	0	0	4240	3029	31108	0	0	0	0	0	1731	1515	0	0	1361	0	0	0	0	0	0	0	0	0	0	0	5409	0	0	1732	0	0	0	0	0	0	0	0	3462	0	0	5682	0	0	0	0	0	0	0	0	0	0	4516	1851	1847	0	1080	0	0	2904	0	5771	0	0	0	0	0	0	0	0	13380	0	0	15157	0	0	0	0	0	0	0	0	0	0	0	0	2218	0	0	2496	0	Organosulfur	0.125	1.6875	0.0625
10	C12 H27 O7 N1	298.18604	298.18646	0.11536004	298.18607	108404	180654	63383	92516	3010	0	2006	0	1388	11893	65981	947	3378	3068	0	2455	0	2462	0	14355	14902	7229	0	3170	1454	2059	6158	40474	1312	1414	1276	0	0	894	4640	1607	0	1010	1582	150106	11158	0	8705	1399	1601	55984	35394	1666	2304	2820	92618	121460	2180	5982	1234	0	2520	5719	257593	10031	49967	216117	19355	1179	6303	7592	4659	2017	21597	24307	30244	0	0	2108	0	1653	3737	0	0	59922	1517	2555	0	0	1391	7091	0	2634	0	1917	19772	9066	3258	33210	11428	707	59502	117250	2324	1157	2159	5083	851	18610	4535412	0	1417	2138	0	4745	Lipid	0.5833333	2.25	0.083333336
6	C12 H27 O7 N1	298.18604	298.18655	0.078400984	298.18607	6920	6614	6273	8234	738	572	1095	1767	2375	11884	11068	0	729	1121	1492	1477	0	1027	0	32396	10950	12211	1493	6558	972	2961	2483	48496	0	2078	0	0	0	0	3762	1461	896	0	0	18726	8143	1533	1932	524	1476	45442	70583	682	1620	1522	6721	6443	0	1892	1382	1676	846	0	6786	10121	11336	18340	686	0	824	910	1612	3195	36215	39890	184756	678	0	2655	0	0	0	0	0	81793	711	2983	1146	0	0	0	879	1699	0	937	19254	21395	2425	9215	42258	481	6662	8206	959	0	1317	1774	0	34087	114340	0	435	487	0	936	Lipid	0.5833333	2.25	0.083333336
14	C12 H27 O7 N1	298.18604	298.1865	0.24394912	298.1861	0	0	0	0	0	0	0	0	0	0	2884	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4451	504	1103	0	0	1141	0	0	0	0	0	1775	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2102	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	825	0	0	998	0	0	0	0	0	50626	0	0	740	0	0	Lipid	0.5833333	2.25	0.083333336
8	C12 H27 O7 N1	298.18604	298.18652	0.115830414	298.18607	17496	18501	22392	19431	1851	1264	2987	5472	6633	30292	37003	780	3564	1685	2168	5183	3853	0	1767	96723	23060	36285	2963	13964	3586	11754	9794	185781	3275	7152	1402	1855	0	1954	8030	4555	0	826	1567	67076	34825	4039	12219	1623	5380	133128	246616	1741	3283	3561	19343	17872	1745	8421	3926	3305	2449	6504	8988	36729	26545	49620	3178	1520	2514	4053	2757	5321	156215	131301	455747	2752	1118	6351	1324	1200	6990	0	1898	354216	1088	8464	3999	1847	3081	5806	1199	5616	616	2602	43684	66732	6479	33040	116657	1817	17420	20223	5278	1232	6399	2710	0	89438	60552	1090	3329	1798	1739	2727	Lipid	0.5833333	2.25	0.083333336
16	C16 H27 O4 N1	298.2013	298.2017	0.16207014	298.20132	21839	24204	24063	27006	13154	12582	19621	35274	8283	16743	14050	14320	15178	11593	17869	41696	45379	13018	23182	25804	28146	24882	16816	31545	15094	28039	20313	11522	25696	41697	26451	28514	21172	24050	21164	28780	23228	12467	37804	16203	20824	18963	1864	437	315	21755	20899	1617	34794	38650	21217	23917	13283	1695	10612	7956	9763	38067	10103	22007	29938	6604	10376	7545	7261	15837	18971	43381	24260	26225	26704	30713	31561	37110	42977	37760	649	12781	32746	28198	13449	10955	15980	18689	12775	12624	49753	18384	18343	90051	43884	31564	51574	24726	24430	425	23574	31482	10638	10863	16164	30913	9539	19272	7664	45746	15744	499	15375	9237	Lipid	0.25	1.6875	0.0625
18	C16 H27 O4 N1	298.2013	298.2017	0.16918992	298.20132	41378	40262	36525	39189	33369	29197	43546	48443	15398	32161	29662	26230	23584	31429	30666	69331	75212	45639	41198	57902	63260	44926	28547	47333	41157	51868	48533	32678	47974	52631	35870	38491	42366	51645	27033	49467	42145	23327	65465	29984	38206	39015	3091	647	490	32526	39832	2095	52841	48137	40444	44144	32015	3193	21971	21298	17923	58817	17410	39992	66933	19069	31831	21414	18363	41890	40600	84027	42411	28585	41273	38525	39914	51857	70411	48399	866	19044	50161	49076	24130	24109	40254	46921	25953	28018	62050	38255	28534	115686	74476	59021	77245	39647	53637	1162	37350	41232	17786	18250	27901	64270	22104	38363	22022	57890	29264	594	36171	24276	Lipid	0.25	1.6875	0.0625
2	C16 H27 O4 N1	298.2013	298.20187	0.11608237	298.20132	68845	75090	63718	65051	7623	16800	43899	189290	8218	64063	18583	38261	9774	8364	56081	119314	51324	17209	25436	98284	63644	69812	37189	97122	71723	20811	49014	17057	122725	114527	150354	126388	114221	94891	87361	119949	112380	34685	64680	69142	30306	26169	0	0	0	39997	22965	0	173075	124381	62170	64481	21080	0	13209	4106	9176	141102	19152	9588	118952	22964	7849	11675	9588	17470	33903	64065	19547	69083	37275	96942	94932	115167	58740	94728	0	54427	34154	25077	22498	13115	24953	22947	6190	11701	50317	21977	35483	89250	137682	118542	123099	30560	86461	0	70815	74134	6580	4337	5817	99978	41177	147655	16079	85877	6280	0	41031	9942	Lipid	0.25	1.6875	0.0625
22	C16 H27 O4 N1	298.2013	298.20166	0.17470984	298.20132	46018	40968	37687	42713	68558	48892	49286	44601	39614	39842	29553	25695	57877	51437	33207	61150	68587	74176	53831	54856	70263	47003	38927	39266	45122	34706	57578	37357	55862	41520	32706	54983	57496	59265	44224	60699	63321	29926	54008	29336	26045	43292	8813	0	1041	38773	49741	3135	46962	36515	49582	42349	46362	3703	50760	33442	24703	56527	29712	40811	60035	16718	41359	36694	25334	63882	60526	49549	20111	20121	23708	38179	42636	46396	47473	41294	1579	23475	27070	53291	25006	26823	35161	23951	40795	47789	46806	43077	46257	76489	102296	94167	56607	38032	69972	0	33419	55427	42896	27062	38574	81029	22800	55714	40563	64976	46653	0	35358	43241	Lipid	0.25	1.6875	0.0625
10	C16 H27 O4 N1	298.2013	298.20172	0.10279446	298.20132	34428	28808	29002	24577	31074	18420	21671	35847	23373	37058	14127	15953	23487	25984	20381	39222	27395	23719	31787	38810	31348	32377	23081	38857	24404	18387	16682	15841	30088	27532	30088	36962	35506	28591	51186	26295	40431	20594	30213	32694	17421	12504	0	0	0	29734	21324	0	44214	23320	30002	32216	23152	477	30138	12519	8363	52468	0	6847	33006	9550	12727	21443	7323	26001	12771	27675	15076	42040	28513	29586	26143	25164	30424	27053	0	19746	19971	12777	15664	5842	3825	14409	8409	6603	41287	14039	14916	52306	65867	23922	53153	16751	33748	0	30714	29820	19433	10596	11359	32983	17109	25131	0	39489	32494	0	20723	22499	Lipid	0.25	1.6875	0.0625
12	C16 H27 O4 N1	298.2013	298.20172	0.14376526	298.20132	19181	15016	14982	18124	11366	10505	19515	19252	10199	18888	8064	11144	11956	18244	8151	29516	22186	9250	14468	17427	22326	22206	9916	17868	12584	13896	9773	0	23201	16336	16983	21032	34174	17765	32004	19021	25517	9497	29423	16188	8004	9292	268	324	0	19672	16505	430	26099	10608	14909	18764	8678	418	8862	3909	3945	28733	0	0	18804	6190	5800	7470	2701	12870	13652	27210	0	20973	18593	16928	16826	16907	20569	16574	0	9573	11498	0	7236	4502	4272	9517	4785	5126	19509	11393	11254	84006	39461	21182	32303	13498	19135	0	14055	15711	4005	4675	5641	19691	10341	12391	0	30462	6853	0	9291	14150	Lipid	0.25	1.6875	0.0625
6	C16 H27 O4 N1	298.2013	298.2018	0.10158829	298.20132	80352	85539	78225	80197	23114	27007	52833	111412	19071	82911	27448	52359	28839	21410	88307	131844	55503	31561	40369	87168	82860	85280	67446	115394	172569	30228	49482	24132	83901	89142	92027	89692	115426	80171	101071	84031	110833	64625	78281	57457	34989	22822	0	0	0	66679	42690	0	119161	89214	80192	83008	26807	226	28499	11062	12506	136817	6047	14313	136247	30345	33316	20505	14331	32668	33493	90693	31230	103071	55795	99887	84213	93078	64366	76132	0	75675	78438	35274	31893	17456	17895	30862	10059	12582	707762	25203	32208	272751	231149	116547	143877	37880	71555	0	79555	70005	11025	9365	10397	97440	63047	86121	26660	74827	13222	0	129686	33430	Lipid	0.25	1.6875	0.0625
14	C16 H27 O4 N1	298.2013	298.2017	0.115511596	298.20132	13634	15190	10293	11864	8105	6985	13104	17729	8080	5462	6045	7196	8855	6480	8190	17250	29067	13058	10145	20580	24144	13856	7508	14513	9547	20948	13559	11606	15928	17606	11998	24071	19808	16978	14328	13114	17613	6843	25210	10784	9708	13060	0	316	396	12513	15797	0	18457	8854	11351	9923	6020	530	7040	3599	4454	27959	0	10405	0	6862	7455	5143	4596	11674	11016	27583	0	18704	15914	12755	14165	18265	24096	13766	0	9153	11241	0	6244	4083	8665	7505	5968	5584	16557	8102	11642	50995	39015	19807	17465	9182	19724	0	15803	14313	7371	3873	7609	23472	6276	14491	0	13637	7086	0	10520	7692	Lipid	0.25	1.6875	0.0625
20	C16 H27 O4 N1	298.2013	298.2017	0.2110841	298.20135	49884	49823	57687	44935	49933	45345	60036	54414	25031	42648	35169	33649	48763	50942	37183	97918	90919	49650	58652	65689	58421	46644	40685	64923	47650	44767	63358	42945	62063	77472	40620	52279	65037	54929	40814	60530	61659	33162	75857	27920	44349	46584	4546	774	900	45720	49608	1866	57603	60837	48283	54237	42456	4783	34917	26846	26059	78196	28287	43334	76574	21915	51649	31638	22990	47969	52501	81589	32814	21067	38730	51182	67917	82109	93396	73842	1145	30768	41857	79527	23054	22842	37425	37403	32280	34596	63019	42090	33782	130855	123207	99294	87226	52903	73815	1090	49182	62311	29650	22646	39154	82145	29290	55319	42002	74301	42129	789	43991	37390	Lipid	0.25	1.6875	0.0625
24	C16 H27 O4 N1	298.2013	298.20163	0.19628923	298.20135	18287	17578	18368	15334	40461	22081	10456	16473	19933	10126	12419	9159	34787	25335	18707	19755	21697	43361	37734	18917	25465	14493	14277	12565	21217	2236	12919	20967	22914	17023	13302	19306	20425	20341	10634	20543	27377	13560	13892	13605	12641	21692	2944	0	0	17810	15688	2975	19275	13959	19982	20207	32960	0	30417	25574	16726	24803	15800	14384	28758	7170	20852	20915	13833	34212	51708	17909	0	2571	4552	14680	16281	16890	12545	16191	0	11499	9966	22678	11322	14675	17993	8865	26407	22716	21201	21963	23434	18727	49673	46732	20646	17463	23254	2134	19769	23118	21917	17269	30585	31197	12304	28486	19763	22320	32358	3440	15111	21265	Lipid	0.25	1.6875	0.0625
8	C16 H27 O4 N1	298.2013	298.20178	0.115956105	298.20132	51424	51113	46036	51319	19997	24381	45429	84625	12428	65001	28454	30793	21700	19587	35285	87294	33733	23713	32224	61306	61284	80689	36138	80791	46135	24811	47893	23735	52160	52252	67384	57319	66236	40281	86208	43105	65481	28390	43210	45042	24331	24544	515	0	0	46481	29044	0	86064	68543	47727	48699	22208	223	18134	7372	12033	86630	2290	5165	84791	17593	17517	17966	10195	29442	26207	45758	17992	66165	42501	56259	45328	47419	36422	48355	0	36262	38080	22680	28539	8405	7319	22378	8175	8787	68804	21095	25545	103582	124550	62480	119971	28669	58893	0	49671	42817	12828	13565	9371	54778	38678	48494	14060	56479	10283	0	42532	25755	Lipid	0.25	1.6875	0.0625
10	C15 H27 O3 N3	298.21252	298.21295	0.17433643	298.2126	1994	1372	0	0	1266	0	0	1349	0	0	1302	0	0	0	1094	1817	2204	0	0	0	0	0	1679	1537	2066	0	1764	0	1517	1260	998	2764	3866	1047	1737	1328	2271	1035	2572	0	0	0	0	0	0	0	0	0	2365	1221	1780	1901	0	0	0	0	0	3529	0	0	0	0	0	0	1468	0	990	2864	0	0	2764	0	1476	1329	2125	1567	0	1059	0	0	0	0	0	0	0	1923	0	0	0	3679	25588	11105	4169	0	0	0	1631	0	0	0	799	1295	0	0	0	2293	0	0	2454	0	Peptide	0.2	1.8	0.2
8	C15 H27 O3 N3	298.21252	298.21292	0.13784479	298.21255	1822	3467	1902	2314	862	2021	2332	1802	0	1601	2924	922	0	0	0	3568	2978	1384	2132	3307	2094	1786	1064	2521	1693	1651	869	30110	0	0	1217	1739	3139	2692	1810	1435	3074	838	4338	1686	0	1364	0	0	0	0	0	0	2108	2127	2993	1260	1421	0	0	0	474	2437	0	0	0	1724	0	697	1757	0	961	3885	0	3024	2864	1067	1479	1134	2939	1952	0	919	2224	15541	1230	456	0	1166	0	0	3613	1080	1026	6655	23032	8165	5793	2049	0	0	1889	2771	0	0	0	2857	1209	1558	0	2836	0	0	1721	1489	Peptide	0.2	1.8	0.2
6	C15 H27 O3 N3	298.21252	298.21298	0.08069146	298.21255	1581	1765	2373	2411	0	2447	876	2522	0	1035	863	1029	0	650	1779	3760	2846	1263	1528	0	694	2048	1656	3854	3333	0	1761	8823	2009	1952	1385	1691	3317	2798	1474	2564	2027	1158	5344	0	529	908	0	0	0	0	0	0	2525	1609	2787	2613	1583	0	1495	612	592	3640	0	0	2755	0	1299	0	893	969	796	3175	0	0	0	1528	0	839	2637	1137	0	1325	1312	22725	1039	0	0	0	0	0	3071	1270	1284	7586	21219	6141	9245	2318	1418	0	2130	1685	451	653	0	1590	1177	1462	0	2740	679	0	1377	1621	Peptide	0.2	1.8	0.2
24	C17 H31 O3 N1	298.23767	298.23804	0.20894976	298.23773	5158	4496	4562	6862	4917	6051	4364	14630	1101	6484	5322	2811	2444	5716	7325	4758	7773	2241	2685	3460	5826	2869	21140	1851	2400	3776	3472	10548	5399	9691	2326	11002	7281	4730	5342	6030	2883	7764	4955	4101	3742	7910	2269	0	0	5268	7676	0	9391	92949	4247	3727	1590	0	1689	1530	1311	2995	3108	19031	4975	1422	1951	1255	4077	7303	10318	6301	0	0	1436	31624	2927	21518	7781	8186	0	1645	2516	19916	20394	12582	3097	2391	1618	0	9618	5496	5473	9344	22736	14415	3171	5568	9972	0	5004	7127	1239	0	0	5181	2099	2493	9995	8155	2044	0	5868	7195	Lipid	0.1764706	1.8235294	0.05882353
18	C17 H31 O3 N1	298.23767	298.2378	0.13834344	298.2377	0	1762	0	0	0	0	2801	0	0	0	0	0	0	0	0	0	17389	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3006	0	0	0	1849	0	0	18784	0	0	0	0	0	0	0	0	501	8782	0	1989	1874	0	0	0	0	0	1470	0	0	0	0	0	0	0	0	0	75898	0	0	3143	0	0	0	7423	0	0	0	0	0	0	0	0	0	0	0	3307	0	2669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1280	0	Lipid	0.1764706	1.8235294	0.05882353
6	C17 H31 O3 N1	298.23767	298.2381	0.07425979	298.2377	3521	4741	3701	3513	666	2238	4150	45502	0	2007	0	5866	0	1418	13633	23780	3335	690	1524	5055	1930	5470	3010	48477	10979	0	3135	0	29135	14557	26204	5313	7229	13287	1391	24545	8293	3499	2512	0	0	3077	0	0	0	4602	0	0	11677	42560	3198	4874	1754	0	0	0	1693	7641	0	0	8288	0	0	0	1702	1795	3338	3808	0	0	0	16596	3589	28918	4263	3973	0	14462	3478	0	2477	0	0	0	0	2809	7758	2271	1704	31761	3775	919	31525	1031	2214	0	3903	3926	0	0	0	6496	4070	2532	0	9340	0	0	3229	0	Lipid	0.1764706	1.8235294	0.05882353
8	C17 H31 O3 N1	298.23767	298.2381	0.13416304	298.2377	9859	13289	12100	10928	0	1517	7901	12389	0	3387	1074	6105	0	1931	4641	15504	6017	2682	4813	5676	1649	2726	6073	19206	7165	0	9644	0	11201	35185	30833	32063	31274	21251	9650	11301	33092	9235	5834	2126	0	4298	0	0	0	3120	0	0	53373	11702	9350	11321	3085	0	0	0	1477	28979	0	0	30754	0	0	1087	0	1976	6637	7502	0	3067	0	47483	25380	12193	8784	32670	0	9175	7514	0	4230	0	0	4646	0	0	32482	3105	8016	26902	15199	0	14409	0	0	0	14683	11421	0	0	0	26969	16425	3178	0	10758	0	0	5682	934	Lipid	0.1764706	1.8235294	0.05882353
22	C17 H31 O3 N1	298.23767	298.238	0.18750525	298.23773	4548	6070	5161	2767	2270	17608	7022	15303	0	14710	0	2009	4944	7403	3082	5427	4351	0	0	0	4959	0	10243	3907	2622	0	5507	2023	3417	12142	1047	7565	19233	5899	2748	6041	2295	2548	3208	4963	0	8624	0	0	0	7253	6408	0	30566	84773	5237	7172	0	5962	0	0	0	8648	0	22505	5256	0	2487	0	0	16306	2043	5765	0	0	0	31995	2380	13055	6427	25066	557	1055	3616	7456	17959	5436	1562	2153	0	0	8774	9044	0	10695	14855	3830	15996	0	19588	0	4562	5817	0	0	2049	1773	1107	0	1540	3830	0	0	4753	30762	Lipid	0.1764706	1.8235294	0.05882353
20	C19 H39 O1 N1	298.31046	298.31088	0.21480449	298.31052	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20260	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2433	0	0	0	413	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	734	0	0	0	0	0	0	0	0	0	0	0	0	2111	0	Lipid	0.05263158	2.0526316	0.05263158
10	C12 H10 O9	299.03976	299.04025	0.33118138	299.03986	1417	2637	2085	2760	15348	5498	0	0	11167	0	0	0	24884	4109	0	0	0	12208	10444	0	0	0	1017	0	0	0	0	0	0	0	0	0	0	0	0	0	1101	0	0	0	0	3367	0	0	0	0	0	0	0	0	2740	2557	7057	0	9292	12918	3769	0	0	0	0	0	29994	12509	2715	16301	2707	0	0	0	0	0	0	0	0	0	0	0	1144	0	0	0	0	0	15372	2316	1128	3743	4426	0	0	0	0	0	0	0	2377	2655	9403	23185	21125	0	1243	0	0	0	9705	0	0	32807	Phytochemical	0.75	0.8333333	0.0
12	C12 H10 O9	299.03976	299.0403	0.37174726	299.03986	0	2390	1959	1838	11272	3133	0	0	13605	0	0	1040	21564	4979	0	0	0	9066	12079	0	0	0	3293	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2526	0	0	0	0	0	0	0	0	1966	2267	5942	0	11430	10977	4011	0	0	0	0	0	30016	17100	2665	15149	3704	0	0	0	0	0	0	0	0	0	0	0	2195	0	1254	0	0	0	12137	3186	1289	2809	4474	0	0	0	0	0	0	0	1513	3949	8358	17224	13879	0	0	0	0	0	5156	0	0	27370	Phytochemical	0.75	0.8333333	0.0
14	C12 H10 O9	299.03976	299.04028	0.3487283	299.03986	0	0	0	0	7965	4617	0	0	7418	0	0	1073	14766	5462	0	0	0	8022	9219	0	0	0	1179	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1761	0	0	0	0	0	0	0	0	2648	2059	3581	0	6659	6732	1530	0	0	0	0	0	20266	10038	2850	13795	2462	0	0	0	0	0	0	0	0	0	0	0	0	0	1219	0	0	0	8466	2769	1599	2409	2447	0	0	0	0	0	0	0	2088	0	6504	14042	12316	0	0	0	0	0	5763	0	0	16243	Phytochemical	0.75	0.8333333	0.0
8	C12 H10 O9	299.03976	299.04037	0.40044326	299.0399	2210	1222	0	2174	11842	2108	0	0	6643	0	0	790	21725	2542	0	0	0	7546	6882	0	0	0	806	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1659	0	0	0	0	0	0	0	0	0	2154	4322	0	5744	9833	3423	0	0	0	0	0	23396	10567	1911	13945	2460	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9353	0	1066	3424	2569	0	0	0	0	0	969	0	1693	2238	6655	18750	13362	0	0	0	0	0	6268	0	0	23943	Phytochemical	0.75	0.8333333	0.0
24	C20 H10 O1 S1	299.05252	299.05258	-0.95697635	299.05222	2622	2103	3112	2302	0	0	0	3143	0	0	0	0	0	0	0	8035	0	0	0	0	0	0	6004	11051	6335	0	0	0	0	0	0	0	0	0	0	0	0	1294	0	0	0	0	0	0	0	0	0	0	0	2833	0	1923	0	0	0	0	0	7727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8818	2268	0	1232	0	0	0	0	6531	0	0	143169	0	1227	0	0	0	0	3069	3555	0	0	0	0	927	0	0	8488	0	0	10516	0	Organosulfur	0.05	0.5	0.0
20	C16 H10 O6	299.05502	299.05542	0.27853003	299.05508	13972	13246	11291	10699	20061	12739	8594	5592	16740	8277	5674	5731	23578	14744	6747	9424	10414	31012	33209	7961	7614	17214	9788	9192	7839	4230	7916	5346	4065	5394	4300	5279	11852	3449	12042	4612	8330	6826	11192	9130	5870	13212	1563	911	889	6319	8829	1483	6178	5705	12973	11972	15202	910	12882	15220	13445	14925	2539	5654	8017	3826	22537	16144	11891	24014	17451	11931	4072	3316	7225	3830	5723	3402	6093	6913	808	6989	16681	14132	14224	8229	4022	0	27148	15795	22444	15870	18717	14448	7749	4927	8871	14541	16207	2233	8528	8194	13297	21307	24123	8470	8384	6690	4062	9519	12891	936	12163	25208	Phytochemical	0.375	0.625	0.0
14	C16 H10 O6	299.05502	299.05548	0.2687359	299.05508	17600	22933	15658	15910	29749	14965	11797	8952	29451	28414	25869	8258	41361	17184	10177	10515	9330	39441	38163	19738	20319	40725	15871	14263	7941	7115	6512	8737	4287	3525	5932	0	14216	5006	44991	4429	11620	10254	7982	16483	15432	14702	0	420	451	12040	12512	898	6396	4098	11166	12830	20858	386	21337	21147	16267	15143	5893	7657	0	7068	41516	27070	11478	32937	15775	9375	0	12643	11304	6001	5940	3285	7827	6728	349	7464	24232	21785	20625	14603	6068	9563	26389	15219	23524	18264	16311	20642	14522	15577	17719	31022	36969	1057	15684	17268	20535	32260	24714	9190	7748	10628	0	10843	19396	0	7144	32801	Phytochemical	0.375	0.625	0.0
18	C16 H10 O6	299.05502	299.05545	0.27936846	299.05508	22850	15080	10292	15092	25635	18695	7064	7395	26173	23566	14911	6484	33847	17631	9493	12579	11429	44838	45081	15647	15694	23361	14623	13246	4894	9894	10614	9299	7560	5409	4570	5469	13583	6161	35981	4944	14908	10906	8620	14774	11777	14269	2326	559	905	12458	13162	1117	9605	5033	15786	15003	18604	573	31282	19967	17155	18600	4593	4620	11163	9731	41039	28528	15545	38677	20443	8960	4750	7199	10576	4120	3635	0	5422	7092	632	6160	26718	26142	22417	13234	8789	6127	31356	21695	25002	21760	23845	17745	15989	12095	13958	20024	33635	1493	16864	12469	23349	26238	32139	11358	6923	8710	6504	11874	17273	722	14583	33219	Phytochemical	0.375	0.625	0.0
12	C16 H10 O6	299.05502	299.0555	0.30992943	299.0551	11087	9749	11612	9601	12876	9218	2603	2767	15204	23409	16009	4845	17348	8510	6050	9936	2944	18017	26437	9592	9307	23194	7137	4787	3310	3931	4155	0	2276	2841	4214	1734	8396	3787	26293	2403	4315	3916	5853	9643	9271	8834	511	0	402	5113	10064	800	5242	3315	12477	9109	11340	258	16244	14028	6883	7316	0	0	0	5759	23193	14961	6245	17564	10262	9491	0	5999	8352	1788	2775	3033	2218	2907	381	2435	13460	0	10009	6109	2690	3034	15813	9232	12712	7088	11350	14298	4804	9352	9643	18179	20464	800	11609	8319	17069	16386	17259	6307	4138	4677	0	6810	11686	0	5667	22946	Phytochemical	0.375	0.625	0.0
18	C13 H14 O6 S1	299.05838	299.0588	0.24607828	299.05847	7018	5205	7792	6738	12381	9515	2171	2901	8760	9874	5682	1421	22054	9182	1959	3132	2345	17935	13739	8008	8396	14956	4360	3195	4727	2975	1645	5820	0	0	0	0	4146	0	15923	0	3371	2578	3447	10614	6360	5157	351	0	0	2915	2175	0	1869	0	6586	6065	11992	0	8989	6841	5029	5580	5895	3528	4881	9472	6916	6222	7872	14196	9265	2255	2576	2839	3154	0	0	0	0	0	0	0	3837	8746	1451	4022	6133	4138	5103	7690	1712	7050	5009	3501	17818	21839	3126	7679	8421	0	6037	3903	6462	7105	6114	2672	0	5520	2197	3558	8395	0	3115	16665	Organosulfur	0.46153846	1.0769231	0.0
12	C13 H14 O6 S1	299.05838	299.05887	0.31233385	299.05847	10842	10877	12494	12763	15898	12227	0	2242	13336	31530	34694	0	23423	7063	1547	4414	3290	21360	17751	17770	23028	33381	2158	2760	3155	16543	3032	17804	0	1015	1035	1612	4163	2513	39997	1602	5229	1576	4072	29412	41369	5234	476	0	0	8863	13880	0	1369	0	10052	11929	14733	0	14655	12443	5642	5566	6127	10650	0	24110	11711	10429	3429	17267	6359	0	0	25137	29731	0	1182	1082	1476	1676	0	1607	4349	25032	1758	8745	6782	18845	14516	5270	7122	5390	5715	4312	30577	36603	8199	43643	63690	0	13380	11009	11077	11046	13067	5354	1064	9863	0	3401	10839	0	3894	19663	Organosulfur	0.46153846	1.0769231	0.0
14	C13 H14 O6 S1	299.05838	299.05884	0.23271094	299.05844	11422	12033	11503	13381	23489	15173	2168	0	16403	52628	29404	1671	34310	8575	3901	4232	3185	30440	23399	24665	24183	52458	3808	0	4493	19988	2873	25949	2402	1410	0	0	4497	1711	45083	2097	6278	2106	2905	41132	38001	9210	0	0	0	14550	9729	0	3252	0	15848	12640	15728	0	16609	15499	5892	5902	11146	9987	0	30570	13434	12392	6191	16719	9476	5485	13988	23263	22665	1225	1257	0	1381	2174	0	1354	4762	36899	2862	8818	9289	24806	14856	7206	4102	7609	11263	3573	38125	47890	3987	47981	58183	0	13665	13049	15918	20958	16147	9111	1626	15443	0	4003	17253	0	4126	24867	Organosulfur	0.46153846	1.0769231	0.0
16	C13 H14 O6 S1	299.05838	299.05884	0.25209767	299.05847	12560	10342	8828	13735	23865	15327	2619	2285	15878	34645	15405	1496	31369	10469	4267	4366	3960	33291	29576	16814	15568	34285	2516	3131	5372	4809	1954	16873	3026	1654	3210	0	7026	2544	32322	1466	3620	3596	2088	24654	20102	7271	564	0	0	9416	7875	0	3497	3574	11929	13621	14913	0	15561	16501	7243	6453	17505	7834	0	17633	11159	12034	7004	20839	11734	2616	8810	12445	10846	0	0	1372	2439	1283	0	2482	1994	32635	1427	8968	8188	12284	12639	9289	4874	8644	11501	0	32039	47711	0	34650	50598	0	9029	11981	12076	14555	14840	4030	0	11711	6349	0	13909	0	4299	26876	Organosulfur	0.46153846	1.0769231	0.0
26	C15 H10 O5 N2	299.06625	299.0665	0.15853256	299.06628	0	2264	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8218	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10997	0	0	0	0	0	0	0	0	0	0	0	2288	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19823	0	0	0	0	0	0	0	0	0	0	4761	0	5193	0	0	0	0	0	2729	0	0	48367	0	0	5053	0	0	0	0	0	0	0	0	0	0	0	0	1613	0	0	2425	0	Unclassified	0.33333334	0.6666667	0.13333334
28	C15 H10 O5 N2	299.06625	299.0665	0.23398226	299.0663	1747	1989	1416	2191	0	0	2389	0	877	0	0	2836	0	0	1979	2274	26095	0	0	0	0	1251	7414	1982	0	0	1338	0	0	0	0	0	1231	0	0	0	1262	2789	36448	0	1102	0	0	0	0	0	0	0	982	0	2013	2686	0	0	0	0	1000	1313	0	2848	0	0	0	0	1442	0	0	33449	0	0	0	0	0	0	10887	0	0	0	9775	5198	4787	0	1131	0	0	0	9594	1008	1308	29303	0	765	6447	1397	0	0	2550	2764	0	0	0	0	0	0	0	1756	0	0	2784	0	Unclassified	0.33333334	0.6666667	0.13333334
8	C17 H14 O3 S1	299.07364	299.07425	0.8428165	299.07388	0	0	1041	0	2737	1300	0	0	3417	0	0	0	2136	1786	0	0	928	1372	0	0	774	0	0	0	0	569	0	0	0	0	752	0	0	0	0	0	0	0	991	0	0	0	0	0	0	0	0	0	1145	0	0	996	2994	0	2062	0	2290	0	0	0	0	0	3317	2069	0	2520	3101	0	0	0	0	0	0	0	26531	0	0	0	0	0	0	0	0	0	0	0	0	1353	2163	0	0	0	0	0	0	0	0	1175	0	1991	0	1224	654	0	0	0	0	0	0	2757	Organosulfur	0.1764706	0.8235294	0.0
6	C17 H14 O3 S1	299.07364	299.07422	0.9002556	299.0739	1024	0	831	1200	2128	582	0	0	0	0	0	0	1874	1424	0	0	0	0	1301	0	0	0	0	0	0	0	0	0	0	0	0	0	867	0	0	0	1285	659	0	0	0	0	0	0	0	0	0	0	0	0	1111	0	830	0	0	1297	1460	0	0	0	0	0	2080	1564	757	0	1263	0	0	0	0	0	0	0	21522	633	0	689	0	0	618	0	354	0	0	0	608	1443	0	0	0	0	0	0	0	0	0	0	1508	2294	1377	0	0	0	0	0	1911	0	0	0	Organosulfur	0.1764706	0.8235294	0.0
20	C13 H14 O8	299.07614	299.07657	0.30929735	299.07623	6873	4534	6036	5037	11518	9697	2745	5710	12430	3263	2330	6310	15279	9869	6396	3412	5689	13865	10041	3485	3474	5168	6935	2766	3102	0	6436	1756	3409	2957	2851	4346	5060	2453	4049	1648	3282	7678	3351	3527	3117	5855	1647	1172	2287	3563	5102	2667	4914	4676	6558	6172	6966	1200	15353	10920	7164	4093	3975	1685	3289	2739	20565	10430	5197	9664	5718	5427	2107	1759	3138	3736	4948	6670	5066	5644	2100	5596	6326	5044	8106	4839	3032	0	12999	6434	10645	6391	7386	2853	5540	3337	5622	3595	0	2337	7343	4378	8601	10045	12309	7207	6373	3988	3751	4321	7035	1706	5488	23057	Phytochemical	0.61538464	1.0769231	0.0
2	C12 H14 O7 N2	299.08737	299.088	0.27497676	299.08746	7408	5066	4223	5023	12722	0	2356	5157	11822	2083	2549	6526	19983	3621	3243	878	4024	13171	12392	2468	5557	6838	5678	4721	1100	0	0	0	4888	2941	4548	3865	8553	4735	4049	3957	5226	2710	3330	3055	3787	6015	0	0	0	2272	1502	0	3900	2900	4169	4833	10340	0	12238	7115	4597	5883	2812	2459	1859	1286	28899	14965	4975	14593	8265	3642	0	1105	1448	3675	4444	2508	978	3733	0	2479	2937	0	2744	1590	1650	1216	7398	3662	3877	10376	9550	8049	1863	2531	12110	1723	595	0	6310	4386	6435	7481	7295	5624	3813	2585	1390	7711	5615	0	2878	31386	Peptide	0.5833333	1.1666666	0.16666667
12	C12 H14 O7 N2	299.08737	299.0879	0.30145887	299.08746	10261	8075	11453	7713	10963	9777	7640	7946	14812	2902	4648	6134	15661	7525	11399	15299	15187	19843	16193	2869	4827	10006	14282	7287	4229	0	5178	0	11491	5765	7300	12332	15348	8856	4662	6435	15617	9739	12702	1930	5926	11177	510	0	0	3624	0	0	13293	10886	8007	8398	14672	0	18018	4099	7963	17907	4568	6875	15742	2409	14152	14644	8050	16283	12956	16405	0	0	3396	6765	6377	4807	8837	5380	0	8697	8896	0	6887	2995	2945	0	6791	7339	11000	14974	13231	19202	13062	20102	25216	5240	4358	0	7774	11772	8022	4969	5958	14753	7826	5006	0	15367	7691	0	8531	30851	Peptide	0.5833333	1.1666666	0.16666667
4	C12 H14 O7 N2	299.08737	299.08798	0.23731636	299.08746	9131	12341	8338	9181	11532	7284	3001	6773	15960	3695	4818	7028	19590	4635	5597	9365	13459	20045	19771	5085	6604	11955	9327	10356	2341	1050	5426	0	4860	4275	6476	6243	10282	5100	5435	6938	8891	6945	12891	5428	6535	9708	0	0	0	4504	7178	0	6414	6664	8228	8261	11441	0	18378	15954	9467	7095	4923	6515	9139	3483	27363	20283	12551	17703	9202	14698	1170	0	2365	5374	4684	4674	4148	4894	0	4605	6847	0	6270	2713	2924	1243	15755	7416	6993	15110	13612	16802	1600	2846	18513	4698	3855	0	7391	9074	14036	16408	13858	8966	5762	6514	3963	10035	11357	0	4152	39127	Peptide	0.5833333	1.1666666	0.16666667
6	C17 H14 O5	299.0914	299.09195	0.24960446	299.09146	33388	36066	26346	33399	37284	22950	15657	26801	46951	18255	21087	29251	53511	15186	21573	38464	37326	61961	56661	20851	27613	40905	36585	36404	11031	6473	14096	9195	23011	20801	24790	23291	40296	22887	25819	24094	32837	21144	45849	17655	28183	40220	1517	1171	2180	21238	26480	1958	29386	26251	36483	31063	36844	1974	60480	31433	30439	31736	16942	23669	34015	17011	77339	53647	28292	48400	36695	58219	11511	9394	19933	21613	23442	20085	19213	21673	1756	18312	21928	10952	19380	13870	11994	7703	37788	21907	26561	50183	47337	55595	19905	18402	49195	17755	15508	2510	30042	31367	28821	31726	31955	37145	28214	19739	7035	43459	32113	1236	16403	97438	Phytochemical	0.29411766	0.8235294	0.0
26	C17 H14 O5	299.0914	299.09177	0.2568008	299.0915	7267	8486	6909	6746	12466	6596	3317	6386	10863	10870	11066	5240	15293	6538	0	0	5837	10298	15696	10997	9559	15226	6571	8894	0	10435	3778	7272	0	0	2632	4904	5217	2388	16184	0	6544	4758	6766	9319	10463	0	0	0	0	9410	9451	0	4264	0	6905	8509	8713	0	10170	10101	4413	6475	3934	4631	5607	4951	11956	9929	3473	11949	5873	5236	11649	12428	20110	0	4013	0	0	5098	0	4792	8721	11934	7907	7670	4184	7653	10285	0	6596	7546	7896	7176	6828	3777	7172	10464	17512	0	4300	8029	7209	10746	10958	5568	5763	5319	0	6766	7311	0	5758	11073	Phytochemical	0.29411766	0.8235294	0.0
24	C17 H14 O5	299.0914	299.09177	0.22545041	299.09146	16029	18608	14186	16889	20086	11595	7191	9122	17673	27057	20464	7143	27835	13210	11003	8552	10157	26336	27884	26923	25880	25883	15095	12657	11438	25472	5196	16245	8210	6205	7037	8291	8957	5694	33010	7614	11733	7418	9342	18757	21956	9870	6450	3192	5805	15729	19962	5417	12929	6642	14066	13689	16265	0	15341	16372	10282	11870	6335	10522	12905	14819	21094	19127	7590	22334	14785	7128	22723	23480	33338	8080	8522	4678	5031	8926	6341	7134	17496	16506	14598	14919	7764	16210	25721	12602	16263	14707	14495	13666	13420	10076	18530	21160	28796	6453	13709	15078	13517	21566	20206	12114	10370	13069	13356	10813	14244	4001	9633	27237	Phytochemical	0.29411766	0.8235294	0.0
20	C14 H18 O5 S1	299.09476	299.09518	0.2871459	299.09485	14592	14131	14750	10370	16231	20027	3607	6081	10350	36202	15146	2810	15929	9599	5138	6306	3231	15211	18067	37418	30509	32507	4026	6155	10573	5509	4452	20645	5819	2109	3493	3845	7265	6087	43718	2509	9943	4185	4816	29006	16841	7086	562	0	0	16932	9894	0	3850	1636	10994	13989	11870	0	10428	8738	7609	7833	20420	9055	5569	17579	9503	7283	4869	13829	8904	4892	8187	14508	10442	3160	4030	2182	3118	4427	0	2346	5313	19914	5267	11034	11084	17537	8436	7035	8933	9200	11910	5799	60996	76474	9990	24694	41233	618	6946	12416	11185	15053	9135	9603	3300	16048	13287	7311	9061	0	4631	15245	Organosulfur	0.35714287	1.2857143	0.0
18	C16 H14 O4 N2	299.10263	299.10306	0.29173666	299.10272	8581	11253	7370	9693	6208	3767	8745	6190	2996	16363	15869	7340	4455	3364	4996	13568	14092	5574	5649	4911	12495	16006	8035	11229	6846	16139	7560	10039	9452	6830	6234	7124	13214	6925	7892	6344	12002	6719	16955	15624	27220	5299	687	0	0	10100	17364	524	12266	5493	10896	8034	6521	327	2079	3058	4598	10688	3849	12053	9452	8479	5007	3183	3371	4198	6556	17877	19508	16720	24400	6933	5123	2635	6093	6374	0	5787	13541	21316	9839	8125	7295	12671	2632	3139	12443	8004	8569	29119	16882	14899	22085	16563	18161	0	11909	9099	2643	5250	6112	15629	6036	5586	6118	14417	3158	0	12738	2667	Phytochemical	0.25	0.875	0.125
6	C14 H18 O7	299.11252	299.113	0.18960056	299.11258	253260	147702	247956	282698	270502	92718	156224	262966	357700	120422	91771	88727	406372	144636	205134	307012	239588	431944	224082	258024	150732	137347	125168	274306	52554	50234	156540	51844	236142	231936	205634	234258	299948	200488	249774	252124	269460	196436	151611	141704	220916	122040	6663	2917	5124	109529	120531	3347	262656	221410	127182	259438	128560	4511	270760	185831	89412	281404	109194	126945	297084	124524	430078	364864	71994	324930	127869	156088	92438	86155	123715	178702	193536	217332	142502	207656	3872	82317	251236	48916	203080	155694	168174	84292	339918	226066	269696	97151	123922	273226	68583	107245	308372	87736	102547	5486	261684	133466	124812	181835	431062	317196	181292	143093	74568	114519	166082	3409	134596	470242	Phytochemical	0.5	1.2857143	0.0
14	C14 H18 O7	299.11252	299.11298	0.17376529	299.11258	805123	769937	737013	777020	1210124	1033187	482767	553947	1690180	944854	540310	344390	2115819	699462	596001	563171	468552	2105235	1687477	1083586	1081202	737270	575413	405763	438695	493636	403820	554177	752985	576719	519342	718441	1071589	638516	1254769	664472	957289	494828	516819	841376	534225	776452	32423	9193	10183	464356	361943	10022	656392	424690	761899	716097	1132952	11239	2584314	1162369	601246	717643	715240	365069	619214	597616	1618000	1668960	509965	1413538	877318	426318	516736	798291	679099	498379	553842	616122	438197	555553	6022	477699	558098	461275	433046	335264	466113	479151	973635	680324	560685	658008	856494	421567	708714	803431	559583	496783	634029	16076	787277	845087	1006466	1068662	1028367	901327	439647	741992	323804	455995	1043593	9898	322452	1777440	Phytochemical	0.5	1.2857143	0.0
4	C14 H18 O7	299.11252	299.11316	0.20390846	299.11258	37802	37918	59404	76606	35468	50072	40456	36271	48538	23114	26818	28739	96220	56496	29350	38969	88998	52114	107364	30135	68938	46274	33921	76940	18336	15258	24235	13903	32584	61394	31124	29932	44012	43668	68310	34172	35360	27769	94306	27085	57038	37146	4804	4132	7285	32392	80376	5502	69476	67012	35316	58218	36199	4926	118126	104164	31098	37052	59622	66168	41050	17334	60026	55066	26845	42317	27662	97080	29502	18683	24998	24863	52808	63536	16428	64556	3264	24734	37454	12622	33843	47278	24446	22656	105192	67390	32242	27174	74564	37141	19463	45370	77068	21587	21692	12741	34551	42828	91332	128326	127254	72106	30129	77116	23639	29123	86794	5490	21977	57334	Phytochemical	0.5	1.2857143	0.0
10	C14 H18 O7	299.11252	299.11298	0.13973199	299.11258	1462966	1326498	618811	1181858	1700850	1309280	786094	547578	2079016	1661272	482501	392388	2634160	404584	926990	620526	476359	2731448	2474596	1807740	897755	641123	507941	1011394	600726	472041	772088	410857	1215364	484210	923422	1098110	1667178	528106	1926714	1095366	1573300	422014	1108194	671106	1285648	1204348	28006	7085	11112	450728	420602	9243	1159894	840414	1323498	1372264	1501066	9563	3178906	1726568	799392	1348100	1005708	453768	682690	834174	2069578	2291218	657304	2091630	1221182	1029750	608508	728824	714542	896902	965996	469002	986258	991954	7293	367627	576750	316535	891624	673314	854968	332465	1719740	1074070	587445	1054850	1210084	859490	468555	1178288	1046872	934600	1212682	15011	1282296	733274	731710	1746070	887850	735544	762072	662904	314771	864998	1725728	8229	302013	2761828	Phytochemical	0.5	1.2857143	0.0
14	C13 H18 O6 N2	299.12375	299.1242	0.2487575	299.12384	29960	32482	33299	30976	15727	20173	33766	48335	15514	10330	16288	28198	17690	9736	38295	47173	37638	37100	24648	10398	11005	37655	30993	47293	33755	1456	32360	11523	37913	36248	29432	42911	52967	39583	20859	37723	51130	32107	47505	13501	16300	25062	0	556	546	14780	20668	491	44529	39003	30933	27474	19565	809	24147	9593	17201	55570	21040	21572	47188	7216	12131	18275	17433	23933	25225	42415	0	6378	6517	36831	34612	32964	39600	34811	0	28147	32360	15878	27807	16738	20189	8236	12921	18305	38143	32273	30566	72242	38950	45378	74946	10970	16293	1126	33773	27590	13831	10644	12979	44681	28003	23388	0	53632	14346	798	34523	26215	Peptide	0.46153846	1.3846154	0.15384616
0	C13 H18 O6 N2	299.12375	299.1244	0.052711677	299.12378	20646	22950	19781	18365	22892	21163	4573	29604	20590	7428	4293	11134	31380	9930	8638	3491	7960	43762	34937	11827	20230	29901	12706	27388	7673	1092	0	2771	37814	11325	22018	32341	41712	28865	15290	32071	36462	6483	12887	10914	6450	36238	0	0	553	11721	4362	477	34090	16179	20846	18846	25218	0	22471	12754	7376	40046	7064	5299	10427	2437	45818	27430	13814	33704	37423	14142	1622	6042	2505	24349	37254	21829	4170	27266	0	11308	6136	2581	5416	2464	3275	0	9754	7476	6450	25275	34627	10794	15277	16018	43636	5270	0	0	20214	18603	7308	10899	10386	27664	6304	16439	3259	35779	11916	0	5673	67032	Peptide	0.46153846	1.3846154	0.15384616
10	C13 H18 O6 N2	299.12375	299.1242	0.11361546	299.1238	162481	139088	142011	134280	109040	102579	115819	167217	130432	100705	77055	126429	125436	48239	158771	208193	164236	194737	197097	109862	122262	186457	145107	189141	120472	16818	126660	60242	169121	152429	155263	165312	245989	164228	139117	154956	234727	146070	200579	119632	125660	112486	2689	0	702	110368	110080	709	173714	136362	154165	144150	125152	532	191038	60433	70542	214291	157885	129176	218441	82619	103244	132615	69546	133223	114089	217710	39186	60070	54992	155146	137769	135670	136709	139201	0	119426	136264	77504	113543	80352	100127	42286	77930	84746	147218	133208	137139	235665	119342	191654	322083	89857	109070	1433	160747	156478	73866	57320	53947	205643	124248	154887	66897	204675	98047	694	121543	185491	Peptide	0.46153846	1.3846154	0.15384616
4	C13 H18 O6 N2	299.12375	299.12433	0.12687586	299.1238	91189	103951	90209	92182	71034	52841	43391	103409	99726	55845	53113	75485	103521	27334	72889	103151	154105	129950	120771	64718	77043	131580	89284	110127	39477	6684	46738	21777	74726	77837	88178	80217	118805	73878	81223	84182	112393	73964	193198	65239	101329	89495	1459	517	546	73893	108896	0	99169	95564	90690	78089	87955	579	132557	78013	68019	97540	95308	128145	106308	52037	147996	118673	70898	100524	72864	157238	19144	17895	17115	78570	71839	83973	47892	73758	376	61493	66783	33704	63226	48118	53832	21966	93030	72357	62225	106283	100624	155565	54501	81166	184608	53850	53480	1293	85620	105472	72214	75876	75980	113850	70853	118269	60660	116059	80108	474	51078	171795	Peptide	0.46153846	1.3846154	0.15384616
12	C13 H18 O6 N2	299.12375	299.12424	0.18142864	299.1238	75166	84357	73689	71240	44966	43008	61573	83730	49522	34915	28664	53642	46696	20116	69815	95475	90824	76851	82368	46726	48100	98264	74104	90521	57890	9052	53167	36959	75096	66264	69810	84017	111489	82670	51722	71935	94822	65825	95122	47648	69600	45496	1772	527	839	48205	43450	788	85417	67964	73520	66203	51833	927	77555	24543	38611	91979	71348	63225	78160	36399	46473	51655	28777	58058	47251	88423	0	23212	21180	68221	66950	61149	70585	72070	346	61651	66157	30830	46797	32593	45141	19175	34517	40318	70448	54001	61045	134990	86435	113160	158404	33210	41247	775	74214	73687	31588	27941	27908	100750	56723	61415	22942	95974	40270	674	56001	74882	Peptide	0.46153846	1.3846154	0.15384616
8	C13 H18 O6 N2	299.12375	299.12427	0.14020172	299.1238	238240	249273	200279	249067	154293	153041	169264	268906	219713	145981	117308	196179	200285	63391	228949	329347	306953	285902	314905	178680	182214	286714	234667	302472	154696	18857	178210	96450	244021	227296	238884	267063	319831	260622	213928	232995	342887	218489	363018	187677	211500	188175	2999	454	556	184888	203409	439	283729	231177	214147	230952	179989	849	311509	104694	143828	271592	233166	199383	303626	140288	195665	231616	119281	216765	181006	336169	51852	65910	76567	244915	245096	212994	191316	234739	430	179280	194601	98790	169481	117004	162655	69002	129202	147755	219911	227332	226228	371834	159054	273105	489158	131877	143518	1149	245485	242046	120536	106680	109302	314735	202636	251918	98262	299076	153144	418	164674	316420	Peptide	0.46153846	1.3846154	0.15384616
14	C18 H18 O4	299.12778	299.12823	0.15790932	299.12784	218542	223278	197759	213483	145673	111767	168693	221931	155550	207956	188451	165134	147687	92165	170987	242928	226743	154218	173014	281829	283790	250831	184064	217970	163062	428542	177334	162560	170318	193298	178433	219808	222308	146665	253998	190210	185924	162467	242671	215370	270212	121029	12178	4887	4862	187269	218705	7088	218710	173038	209610	200882	136084	4444	158717	121493	123225	258050	179761	206695	225796	128539	158042	140558	95149	154869	124978	248359	317645	413210	526612	163999	164732	183871	188283	214692	4443	147458	238967	136537	213282	162930	174871	173688	166333	116616	225319	141031	148186	329609	196549	166378	286460	143212	179155	8298	218742	196111	135741	165386	154321	194917	166092	223008	137895	197393	125473	5110	192255	145204	Phytochemical	0.22222222	1.0	0.0
10	C18 H18 O4	299.12778	299.1282	0.057174284	299.1278	63868	61635	59954	54659	35425	25067	52727	75178	38727	52910	52246	52640	38637	23423	51715	75849	58705	33384	52523	72393	66881	64751	53553	80987	50180	88327	60009	38041	56370	62778	53684	60550	67249	45590	73427	66541	52966	50784	78437	67123	67656	28674	9499	4402	6162	58017	66928	7425	74158	61894	64795	62193	32291	3800	45768	37776	29338	72343	50077	62472	71721	34270	36400	38018	24383	35335	26469	76645	77731	87700	101901	54929	50030	59250	62419	66881	5503	44610	78968	38358	66094	57490	55668	36206	47925	31930	68960	27033	34623	85212	43824	51913	74552	46283	56541	7784	57847	62867	44579	42798	42901	50929	51438	71585	40542	59367	38798	4640	64227	33749	Phytochemical	0.22222222	1.0	0.0
12	C18 H18 O4	299.12778	299.12823	0.12399459	299.1278	141527	139051	138751	145497	71559	52322	116764	144951	79659	118534	99299	87936	62194	43705	95243	166137	144156	73826	110170	165115	145868	166886	114643	145120	88678	181215	126653	81893	115375	122875	112390	129292	132737	103218	134898	108132	109079	97872	151536	113499	164897	65609	6796	4467	5408	114069	138890	6798	141236	136474	137672	153478	75598	4401	97745	67407	65622	157197	111593	119298	171370	84641	95146	75405	49678	74732	61676	149336	179864	203645	245092	106492	113713	117615	130083	136251	4020	91621	136423	98541	132856	107199	112268	86107	91531	62409	132095	60610	76433	198405	124806	122517	159624	81769	112204	8022	141007	130834	84776	80135	82097	115425	94822	142002	102665	115768	74383	4407	109733	93912	Phytochemical	0.22222222	1.0	0.0
24	C15 H22 O4 S1	299.13116	299.13153	0.29291075	299.13126	7864	5359	4094	5644	4999	5994	0	1718	3103	13454	4478	2179	5161	2783	2523	4331	1969	7020	5269	13218	9709	21826	4056	3375	5400	1813	1374	10501	2989	0	1703	2002	3960	2987	9471	1793	4553	1816	2559	6589	5872	2834	0	0	0	12258	10810	0	1656	0	5488	4606	3977	0	3272	2112	1583	5516	10091	7471	4396	6766	1309	1022	1380	5195	4676	1629	1198	1494	1320	1892	0	1282	2559	1615	0	0	1794	12238	1647	8082	5829	7272	3567	0	2146	2543	3010	16996	55948	50301	14295	17187	23654	0	7191	6108	2429	2551	0	4330	1157	12168	12492	4235	0	0	4649	3108	Organosulfur	0.26666668	1.4666667	0.0
2	C12 H18 O5 N4	299.135	299.1356	0.17023362	299.13504	19008	18561	15578	17907	9926	0	13897	22154	10534	4806	19850	23111	12741	4432	18513	6185	32500	14933	18417	6191	10221	22729	20191	16814	6657	0	1816	85286	21241	11489	26831	19307	37741	17423	10695	17463	25835	18640	38606	6208	9922	17724	0	0	0	6285	7140	0	19961	14373	18227	18145	13478	0	13135	6211	10929	28956	6172	12751	8465	4257	16250	10759	10615	16197	18778	43371	886	1826	2710	17801	21122	14911	4423	17685	0	15458	16405	14290	17828	4288	5411	1364	9247	10501	16698	21625	20077	56637	9797	18612	50207	7862	673	0	19667	19230	8327	7818	6491	17330	17059	9719	5309	32551	6988	0	14479	19946	Peptide	0.41666666	1.5	0.33333334
0	C12 H18 O5 N4	299.135	299.1356	0.025024587	299.135	8211	7533	9520	8037	6649	0	3283	12069	7996	2377	3384	6429	8175	0	5414	0	8070	10476	11414	3432	5424	11429	8060	7347	4415	0	0	3084	11287	6020	9897	8415	16872	9848	6142	12259	11502	6049	10430	2581	3504	6426	0	0	0	4525	2224	0	11545	5529	9173	7766	10883	0	7078	3393	4041	13075	2500	4106	6170	1645	13956	8669	11517	9981	16406	14570	343	0	0	10459	10955	8523	0	8141	0	6148	4564	6093	4199	1508	2563	0	4522	5378	5933	7659	13814	14658	6313	7495	21719	3036	0	0	6761	7855	4392	2967	4376	9154	4228	5162	1521	14102	4632	0	4998	19739	Peptide	0.41666666	1.5	0.33333334
18	C17 H18 O3 N2	299.139	299.13947	0.29317835	299.1391	6984	6752	7851	5863	7230	2861	5564	4207	3368	5574	14359	5557	3556	4990	6269	12775	6485	0	5809	7783	9675	12357	4695	11896	3626	15288	6077	19195	8259	5411	4936	5904	9574	8570	11430	5758	6952	1876	13844	10056	22817	4924	0	0	0	5128	8144	0	7310	4687	8988	9409	2258	0	3488	0	2143	7100	3779	8959	11290	4613	3066	2073	3469	2990	4611	17373	14781	11309	26381	4771	2764	2989	5520	0	0	4169	5599	10034	7051	2924	5371	8020	2077	2769	7578	7752	3991	20262	15736	11089	16348	7356	10711	0	7912	6453	3646	0	1987	10815	4010	6784	3443	10454	1999	0	5125	0	Phytochemical	0.1764706	1.0588236	0.11764706
10	C17 H18 O3 N2	299.139	299.1395	0.21884258	299.1391	12247	11010	11367	10181	5136	5044	6292	10093	3055	23372	22987	5710	2752	3146	5294	10993	9627	4602	8323	23369	28079	14789	5069	16653	10018	31189	7987	21906	7688	8628	8895	10603	12849	8049	22679	8594	11720	7791	13379	20769	24209	6970	0	0	0	13035	18592	0	12033	7631	13855	14212	5045	0	2578	2462	3239	13987	0	8526	13439	10585	3506	2958	3059	4199	6400	19879	25225	36761	40953	9079	6701	6070	7530	7715	0	6167	7963	18200	9093	5308	2934	14805	2409	3078	9792	7062	5745	28388	36515	4698	17176	14732	27102	0	9348	14100	2893	3107	2677	11879	7088	8863	0	11311	2394	0	7633	3956	Phytochemical	0.1764706	1.0588236	0.11764706
16	C17 H18 O3 N2	299.139	299.13943	0.33635396	299.13913	9814	6432	10828	10057	3804	8794	11969	7761	5331	10450	12552	6049	10264	3128	6451	14449	15369	8718	6504	11229	11332	16873	6612	13624	7042	24039	9286	18840	11996	11373	10763	9129	13230	6939	12288	7981	11895	6444	13144	16593	23310	4580	0	0	0	7269	10977	0	9933	7888	12668	10113	8341	389	7032	4645	6050	13629	3182	11743	10857	10435	6619	3354	3071	0	4386	15548	20800	22126	36964	7675	6662	6159	13339	8072	0	7353	8086	17775	8405	6295	5315	13618	6647	4065	10520	8057	4226	27643	12912	13291	0	11904	13427	0	7279	5920	3865	5035	3014	10256	7136	6577	3996	0	4879	0	7815	0	Phytochemical	0.1764706	1.0588236	0.11764706
4	C17 H18 O3 N2	299.139	299.1396	0.14536066	299.13907	6285	8362	6636	8533	2774	4048	4428	9396	2694	15674	9833	5197	2900	3019	6096	10190	12383	4242	5689	15410	21639	7799	6107	10134	6477	26047	5279	12744	8229	5004	5270	7905	7539	5454	15951	6957	8725	4805	11771	11984	14419	5092	0	0	0	9057	14651	0	8714	9403	7410	6092	4634	0	2635	1464	2642	8861	893	2808	9362	6548	2565	2786	2645	3366	4506	11252	17077	23031	29860	6219	5183	6215	8570	5805	0	4926	7651	15682	6640	3441	2868	10406	1532	2988	9116	5267	4437	14331	17625	6250	15389	12689	21690	0	7417	10104	2065	1279	1340	8666	4488	9010	5790	7821	1468	0	6596	2040	Phytochemical	0.1764706	1.0588236	0.11764706
12	C17 H18 O3 N2	299.139	299.1395	0.29003072	299.1391	32589	24513	33438	30150	11649	11997	23280	35559	11673	57450	46314	12075	18039	25569	14964	48604	40845	18657	17061	49710	82677	25053	19806	30813	21798	93531	25908	43905	31758	19671	30054	26007	31341	26700	54891	28503	22623	23043	43179	44181	65598	13893	0	0	0	30546	40434	0	24315	25347	28374	22554	19716	0	16107	0	13722	40707	0	26085	0	28092	17505	11289	13437	16827	17883	51330	58002	80277	134271	18363	16077	20493	34722	19848	0	16200	27600	47004	27216	21366	13287	43911	9180	14154	33759	20454	14859	65646	46584	28905	65052	47631	46644	0	28800	33150	9066	11811	11700	19986	18502	18393	0	37017	11016	0	33342	13245	Phytochemical	0.1764706	1.0588236	0.11764706
14	C17 H18 O3 N2	299.139	299.13943	0.2998174	299.1391	14707	14143	8463	11341	7653	3154	6879	8083	4077	14535	16145	7811	4554	3660	5410	10475	10174	3578	8437	16780	20829	16098	9899	12520	8105	29139	10024	17241	11077	9522	7265	11191	10018	8962	17323	6198	10688	8868	14885	14208	30191	5746	0	0	0	11115	18336	0	9335	10532	10641	11551	4504	0	7286	3425	4483	13910	0	12338	0	7122	0	4575	4226	5052	3381	17807	16298	23198	44637	6660	7311	7140	13928	8125	0	5564	10431	0	7347	7922	6631	16852	2857	0	9364	9864	6666	33576	15554	14932	24422	19342	24299	0	11227	11157	6298	4980	2965	14218	6418	8125	0	14757	4107	0	12186	3795	Phytochemical	0.1764706	1.0588236	0.11764706
8	C17 H18 O3 N2	299.139	299.1395	0.15174341	299.13907	13626	12420	11215	14072	3966	7679	4571	8066	4524	30701	28772	7764	5235	3624	5159	14088	10326	5878	9383	38965	34966	12736	8277	15058	9039	46453	7455	31849	8687	8607	9175	9387	12366	9370	32416	10374	11493	6234	14517	26442	27934	8427	0	0	0	16866	20502	0	13512	8487	13645	14159	6703	0	4762	1839	3801	12484	0	6417	11879	8823	3360	3456	4603	5422	7267	14634	34799	50164	66052	7008	8224	5428	9142	7529	0	6289	8980	19906	7752	4647	2851	15493	4488	0	8602	8614	6357	24950	22744	8286	22860	17623	34522	0	13213	14728	3245	3200	3499	10131	5070	10597	0	14248	2148	0	8184	3083	Phytochemical	0.1764706	1.0588236	0.11764706
6	C17 H18 O3 N2	299.139	299.13953	0.14264634	299.13907	15894	15640	12561	10245	5970	6566	7603	13579	5040	34755	29043	6441	4295	5580	10598	17409	14480	5749	10763	37795	40089	13171	8911	15542	9839	49501	6237	29315	9310	9727	9124	11561	17364	11219	33488	8639	15539	8149	15790	20311	22631	8254	0	0	0	15041	23546	0	15256	9492	12833	13556	8345	0	4071	1776	4730	14225	0	4405	16616	9064	3313	0	3232	5374	9082	18050	32520	47446	52229	10426	8153	8117	10024	8378	0	5943	9571	20335	8552	4029	3121	19080	2177	2965	11163	10946	8294	34258	24468	7595	23452	18480	32905	0	12843	12162	2810	2066	2819	12910	7357	8885	0	13440	2210	0	9035	4847	Phytochemical	0.1764706	1.0588236	0.11764706
6	C15 H22 O6	299.14893	299.14938	0.09616138	299.14896	74940	82566	39078	77888	51974	35882	37630	101944	59446	51678	43628	60792	80840	17422	80808	64404	97550	64388	79906	64700	67466	88530	76850	62863	61992	26802	63352	17453	96412	91090	78734	74690	81522	59422	60590	51228	89412	70966	111442	19644	54834	56796	2825	2129	3094	82808	77660	2585	87100	90692	80484	76550	54820	3120	53366	85598	25008	114954	73208	77006	54858	29216	36417	29893	36198	61432	57134	57411	19902	16624	21749	62584	75614	48451	61478	82452	2091	58654	47185	21614	78646	32233	83850	34504	43721	65082	105254	36166	49284	135314	27991	76132	137876	50158	63842	2970	76552	82344	49916	134624	170192	106058	67238	96238	22724	83986	38858	2483	38062	61978	Lipid	0.4	1.4666667	0.0
18	C15 H22 O6	299.14893	299.14932	0.16739252	299.14896	544743	546578	536056	495288	733116	695343	516809	494879	677238	453249	239542	272937	1141700	627455	541111	538005	295398	1191575	1173829	613793	457922	368528	427283	388563	500419	153758	435549	332054	796401	533499	523702	649638	953489	708211	483822	660060	972795	416810	346757	336995	174087	598297	29327	6889	8567	274191	152479	7256	676893	376540	528691	523430	750422	9851	1224671	690822	410677	688904	392393	173605	534229	210805	820325	783905	406838	906328	687712	313241	128058	251427	165140	469341	488537	584182	362161	552892	6610	379056	381613	206540	271709	189189	454451	253858	544393	535084	432366	451761	668381	267603	639437	718600	433441	202240	342396	10744	536929	573105	476767	629395	644158	840222	315440	525362	169033	400090	521161	7710	324502	906314	Lipid	0.4	1.4666667	0.0
4	C15 H22 O6	299.14893	299.14948	0.11716594	299.14896	74424	77220	54612	60324	56628	43524	27444	72228	69750	23799	24297	52182	75474	28524	71268	77928	71838	74712	75024	54150	44616	96300	72312	93414	58182	14490	65562	19029	67452	66054	72846	59406	88704	47658	58380	73788	63732	60372	102324	59460	72252	66858	7869	6777	12024	88476	70158	11910	72480	72174	77898	29238	61596	8652	99214	82854	67056	86790	71514	79254	96318	32754	63396	60510	21402	57120	37506	93600	26613	14664	16764	52554	63342	86178	64125	83958	6141	49804	87114	13509	80832	69432	77616	32334	92610	52734	72258	45384	55302	107694	57912	69000	105323	50640	66102	19854	68478	77556	66168	124590	134010	82254	79536	93960	34233	57940	68154	12057	66318	60576	Lipid	0.4	1.4666667	0.0
8	C15 H22 O6	299.14893	299.1494	0.09455416	299.14896	101916	110194	168442	106374	146586	54959	101228	131345	155432	116724	80740	80046	208518	45265	202494	319980	131316	161268	104448	86113	70156	114360	202224	146930	166738	81984	198022	36242	115048	116901	95784	119954	215398	85568	144650	123667	111100	171742	283334	106888	118676	154166	5663	2526	3456	189908	168106	3042	124873	110344	101769	201466	70017	3265	264452	205898	128738	137021	155682	88418	311084	72268	88546	170734	50893	81727	136964	134133	39268	104672	49257	178098	191224	216282	99497	113758	2602	144068	138809	54796	101017	141122	248406	66041	211708	59856	272136	100680	137736	166971	72544	103708	320492	111934	151418	4593	103191	119015	133354	360530	200417	237340	78209	123245	37567	102793	100297	2366	197088	165182	Lipid	0.4	1.4666667	0.0
0	C18 H22 N2 S1	299.15765	299.1583	0.61972	299.15784	2562	2138	2828	0	0	0	0	0	0	1254	1298	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1537	4965	0	0	4826	0	0	0	2640	0	0	0	26996	0	0	0	0	0	0	0	0	8048	0	0	1961	1370	483	239	0	0	0	0	685	0	0	0	0	0	0	0	0	0	0	0	1802	0	0	0	0	0	2990	0	1745	0	0	0	0	0	0	0	2857	0	50448	2639	3965	2314	1067	0	0	0	0	0	0	0	0	0	0	4269	2194	0	0	0	0	Organosulfur	0.0	1.2222222	0.11111111
12	C14 H22 O5 N2	299.16016	299.16058	0.10608361	299.1602	47707	56146	53627	51858	30691	30415	43358	67593	31749	25714	14067	29900	29716	14574	44527	82594	50501	51619	48402	29994	28729	81768	48424	78377	50861	9591	41148	13398	61849	53766	49743	70155	80385	61011	30334	63868	74675	41179	67535	28118	29909	35595	902	0	0	49698	27313	0	72966	52361	54845	56326	35649	0	46136	16786	22088	77838	38414	22251	61757	20324	34430	33227	15001	45012	32331	69490	0	15408	11360	49800	51114	56155	47122	45993	0	37840	46914	23918	36658	27480	37163	15771	19666	20136	55051	35330	30213	95933	117566	98113	129453	23866	37418	0	60041	64323	21519	12024	17816	77174	38330	40949	0	70612	26495	0	49625	48219	Peptide	0.35714287	1.5714285	0.14285715
16	C14 H22 O5 N2	299.16016	299.16058	0.23814777	299.16022	9227	9679	10715	12487	8213	7441	7757	8926	3262	2661	2273	7787	5599	4725	9090	12865	12035	17127	15063	4735	2103	10733	10892	20973	10350	0	9042	10871	10866	9604	8814	11715	14410	10333	2227	9057	13306	10124	17117	4142	2327	9230	659	0	0	7093	3182	0	13233	7954	10761	10582	9561	0	4417	2037	6240	14839	7347	5963	15957	3000	8977	4696	2686	11676	6987	14778	0	1479	2113	9198	8833	8369	10362	7724	0	6600	16859	18163	12367	2169	5345	3130	8153	5736	18053	10024	10101	31521	28935	24577	38405	4178	2233	0	10082	7275	4898	4021	3480	11212	7851	5865	0	25229	7401	0	18352	9171	Peptide	0.35714287	1.5714285	0.14285715
8	C14 H22 O5 N2	299.16016	299.16064	0.11069196	299.1602	69538	72434	58151	67730	44651	36657	54435	77266	43238	50698	26091	47904	52929	18241	70297	98412	74511	67814	73865	57713	58444	111512	59828	101484	66183	10168	64030	20538	75232	68942	68673	80274	91085	66908	69869	67295	99387	56348	95447	54692	52627	43513	870	0	0	68063	53542	0	87325	73977	68410	66314	43280	0	66500	24854	29994	92778	63310	55372	97622	34322	48453	49366	27314	55204	40414	93311	15044	28009	21771	74821	65589	62544	55785	64007	0	54822	72559	40230	56606	45001	63588	32465	34480	33712	67176	48432	44548	114899	109134	145164	181208	44302	64856	0	73232	73017	33392	27312	30188	87254	46966	88873	36676	92020	41419	0	62548	72560	Peptide	0.35714287	1.5714285	0.14285715
10	C14 H22 O5 N2	299.16016	299.16058	0.07362947	299.16016	70293	59938	62099	61198	40783	33108	54615	85984	35258	45920	27212	46407	45027	16342	65791	105805	71325	63656	63697	59417	51019	105266	60118	102050	68637	10505	65026	25372	83482	64498	64106	79746	94894	77533	53103	74753	97972	53460	85864	55740	43113	39236	985	0	0	61501	49886	0	75269	70601	73028	66080	45065	0	60161	22754	26908	96930	70719	53021	111362	27647	37886	40923	25115	48546	37836	84723	15609	21280	16439	71733	66244	72578	58524	64233	0	49430	62711	35696	48322	45657	59368	24043	32220	35799	64140	49274	43181	111841	108686	109559	142811	34736	58987	0	70732	74093	23572	18230	25677	88783	48017	80886	30341	79631	33135	0	65183	54467	Peptide	0.35714287	1.5714285	0.14285715
6	C14 H22 O5 N2	299.16016	299.16068	0.11310336	299.1602	87068	93694	79903	90097	50409	42378	64041	100729	59520	58284	33445	56180	69838	22714	75660	122247	79507	80228	89802	68912	70269	139252	67091	129153	62347	11763	64596	25861	89752	81405	89258	99213	128728	88940	82174	80042	110732	66361	108036	53786	69909	43969	0	0	0	80596	85326	0	105358	77574	87740	90331	53269	309	81721	30271	29967	117130	69960	77439	117440	39818	75303	50079	22855	59792	57497	118293	18823	32108	33351	85250	77629	81652	56400	71733	0	58691	71596	42055	62754	48201	63144	27342	40797	39794	81313	52489	57801	141186	134888	161227	203204	49829	63263	0	87413	77625	29295	33383	36394	104735	56258	105567	40405	107721	44142	0	62883	99543	Peptide	0.35714287	1.5714285	0.14285715
14	C14 H22 O5 N2	299.16016	299.16058	0.16078272	299.1602	161529	164780	159518	176736	99511	77616	188120	181980	98800	98730	92252	141769	95960	72534	134370	228677	284943	100320	117913	132652	114477	163273	130388	207548	164429	149931	212024	76637	158934	165746	142651	206887	178519	131720	122604	155164	162192	140766	308899	108596	136729	97936	5790	3593	3423	112663	129994	4629	186713	173278	161369	152629	103200	3407	115410	84736	93920	254817	106491	180222	186576	64076	85574	97280	72033	96542	91774	331947	134692	148091	184121	123147	131707	152273	219994	177579	2627	126392	209735	117558	161092	95216	149400	89663	122459	90482	220186	96052	111940	382432	194855	162685	245513	91759	127080	5751	164343	145010	98203	156079	165262	183311	140053	159844	64237	182552	97052	3359	211878	86783	Peptide	0.35714287	1.5714285	0.14285715
2	C14 H22 O5 N2	299.16016	299.16074	0.14266756	299.1602	141034	136068	118053	130535	112415	102834	64662	147586	127441	87449	42118	76434	160974	51129	101096	111291	109958	188285	194335	102954	111601	197180	96464	142926	81832	7688	50749	35633	158883	101882	145050	151965	233322	124485	138168	144298	200723	84898	130410	100117	67492	96581	647	0	0	79600	63199	0	173629	91344	121515	126566	116283	0	166285	57899	46628	184338	79594	60611	116130	37414	172253	132652	45110	134725	130623	153162	16727	40189	30278	124394	134810	120298	62750	114816	0	79903	86182	33193	63526	35640	48483	24508	76988	62276	88687	106308	133545	181532	143754	199695	291469	49380	72138	539	126093	135261	65032	63476	64562	157837	84410	156369	42591	176495	74781	0	68297	228608	Peptide	0.35714287	1.5714285	0.14285715
16	C19 H22 O3	299.16418	299.16458	0.10975474	299.1642	259480	282785	252135	273338	186037	137126	289014	294913	169340	185874	176154	223690	139841	151946	223095	373013	501134	167975	233524	250895	254282	241665	227282	328931	224939	360651	288264	140773	264017	263353	268037	324049	315830	221950	211629	316625	287238	212183	575313	189336	263415	162802	9274	5054	5041	166454	222397	6492	339666	300415	272067	257709	176792	4756	166542	174581	154435	377781	179625	297631	299601	128980	163551	147977	127681	168743	184626	505106	287965	329533	457800	225623	238239	269456	438716	316478	3788	174484	328292	193734	275666	165081	241527	165293	232978	166454	323517	178569	200819	603416	221692	233517	347718	172349	221255	6374	254909	252890	161437	267786	306735	334724	194532	254376	107214	316973	191519	4637	311761	141789	Phytochemical	0.15789473	1.1578947	0.0
26	C19 H22 O3	299.16418	299.16455	0.18778092	299.1642	107033	115083	98970	114991	122029	69066	53161	133503	105135	105931	129401	80941	132816	103500	85569	136799	97622	133083	165299	181871	153744	114840	77628	140880	85554	180431	63374	156231	132087	123117	111038	159003	141578	108410	141734	146698	141502	80175	95943	126648	129664	91756	16467	8170	0	85707	58965	8748	118281	111830	117025	113104	100125	13868	101402	123161	74134	133683	85608	63733	128353	81651	94548	82473	51053	127942	123882	112886	150963	147794	156810	109021	98297	116038	69032	127938	0	70140	105374	113388	88416	77547	86668	108423	119283	77401	127592	92857	93078	122824	104620	110024	176468	105869	110018	9562	111164	125663	103468	168228	181790	139000	76168	116939	73278	97653	94405	7282	94274	88968	Phytochemical	0.15789473	1.1578947	0.0
20	C19 H22 O3	299.16418	299.16455	0.14849271	299.1642	574793	613223	555713	497401	468393	375431	452176	653113	366826	525801	466545	443682	416532	414574	466471	789174	836585	423135	576509	725409	709161	498454	434186	679810	441874	1188470	497831	433420	630644	623096	484382	656499	745944	608759	539969	624981	683765	419792	813227	531845	702584	441444	18627	9059	4577	404344	467622	9710	695326	562633	571116	595771	409746	8463	385185	406985	349835	736707	360087	495766	633912	333771	402067	357395	269217	470519	421014	821176	897954	964086	1412409	523519	569682	588736	806626	656990	4352	398845	572995	456663	446565	289666	460537	433216	464740	345098	576046	518526	484916	793421	575692	494154	747219	393693	461720	11609	539981	542652	423592	609281	679410	783848	445962	628716	272486	591682	372661	8576	496609	397328	Phytochemical	0.15789473	1.1578947	0.0
28	C19 H22 O3	299.16418	299.16458	0.17898041	299.1642	31108	25660	23175	25582	26258	17569	20372	33015	21518	18634	18905	18065	32815	25780	21664	33387	31130	26833	31822	30162	27603	30199	24712	32701	22209	33839	23515	22937	34231	30561	30960	31250	41435	26252	27948	38169	34026	18532	27465	20863	23423	23409	5628	4141	6340	23451	17764	6628	34474	31852	25689	25866	28632	6858	22396	29789	15853	39522	18373	14050	39468	12883	25040	19970	13886	33651	26162	35564	28701	33046	40704	22077	29151	33709	16790	29931	6430	17666	25311	22272	23091	13583	18299	17629	28056	16364	40405	20978	22352	34083	30752	23346	41861	23553	20949	4617	25641	30749	19803	49120	52839	41677	20696	26789	13920	33030	19775	4184	21169	21144	Phytochemical	0.15789473	1.1578947	0.0
18	C19 H22 O3	299.16418	299.16455	0.13713475	299.1642	429673	470028	410820	389192	323636	258668	434283	514243	226283	314712	320801	361411	290904	274573	348226	638618	751499	299478	438366	458352	450745	361340	364291	559048	318336	719763	453838	289189	483235	506139	436274	539731	597891	468121	362715	504994	541765	352299	816047	337139	466425	321773	12758	4971	4402	290982	317312	6446	566525	461884	429010	430110	319640	5735	291774	280407	264998	623894	261428	426192	519168	214389	294618	260774	216509	342533	346541	826866	562639	613439	913271	350959	356353	473044	678268	537522	3131	297562	508333	302781	424467	274207	335223	285695	358567	290259	490492	369568	358344	760436	419401	412509	631721	255176	345920	8132	447974	421492	299319	458783	489072	598997	333376	428694	159611	451197	266826	4337	446019	265750	Phytochemical	0.15789473	1.1578947	0.0
12	C19 H22 O3	299.16418	299.1646	0.057923414	299.16418	69330	76480	66401	57340	23346	26742	79438	78641	33076	35207	38779	45364	19648	25868	53417	91434	98771	21758	51172	52561	43151	65611	51837	68902	51968	48113	101963	23587	58949	72054	53158	79256	59486	46264	48706	58531	53249	63111	107690	46676	58687	33602	4046	3336	3633	46213	54461	4779	77616	68882	71196	71722	27477	3256	41001	35811	34478	78171	43277	62400	70150	32224	31657	26540	27731	22399	31534	113354	29396	52521	65326	39708	46006	65354	105963	74234	2464	39248	74352	30421	71348	46029	67998	30318	48634	34982	70596	28489	32225	137494	59012	62085	81718	30990	50249	3904	69501	61523	40249	52523	67044	76210	47189	65343	37219	58576	30103	3841	59980	25512	Phytochemical	0.15789473	1.1578947	0.0
10	C19 H22 O3	299.16418	299.16458	0.03854699	299.16418	26896	22014	19917	21712	12867	11839	25733	25373	10747	13934	12765	20774	12110	11139	20649	31264	36693	13502	16456	17584	19374	27480	19529	33091	24008	19903	29451	10952	21030	26076	23583	24554	21879	17080	21444	25667	22261	24352	41714	17543	18947	11891	5033	3499	3872	27338	20550	5316	29516	25210	23616	24552	13734	2993	17110	15796	16205	32605	26002	22585	29195	12386	13186	11548	10285	20046	11349	43705	19695	22546	24443	23127	21615	26061	31736	27572	3613	18745	31394	14503	29383	20096	24761	13449	20405	13202	31977	11441	13653	44388	23116	19153	31462	19539	25281	5615	21567	26736	15064	23167	23702	25764	24720	22914	0	21318	16262	2602	25820	11042	Phytochemical	0.15789473	1.1578947	0.0
6	C16 H26 O3 S1	299.16754	299.1685	0.9212928	299.16782	0	0	0	0	0	11224	0	12314	5965	15880	0	6146	0	3322	8205	0	9722	8606	10026	0	0	0	0	0	0	8343	0	0	13972	35474	27126	16218	16854	13755	0	18963	0	0	11980	0	14974	0	0	0	0	0	14484	0	0	22656	0	0	6268	0	8023	0	0	0	0	0	0	7940	0	0	0	0	0	13109	9407	0	0	11832	18741	49713	19918	17418	0	6626	6728	5082	0	0	0	7110	5277	3638	0	0	0	0	0	0	0	0	0	0	11152	10559	2319	0	0	13826	0	0	0	0	0	0	0	0	Organosulfur	0.1875	1.625	0.0
0	C13 H22 O4 N4	299.1714	299.17197	0.030964365	299.1714	5586	5027	4691	5673	4069	0	6244	10855	7197	1480	2055	5336	6185	0	9049	3948	19605	6334	7234	2819	6883	7794	12564	7230	6761	0	1665	7952	10645	4816	9943	8961	15441	6985	3826	7338	7127	11497	25693	2573	2359	9251	0	0	0	3280	0	0	6440	4712	5519	5104	10347	0	5518	1903	6014	7996	2642	2478	4957	841	5185	5056	7374	7558	12509	22307	514	0	0	6352	9339	6787	2449	7724	0	7455	9771	8993	9287	880	1499	1614	3317	7313	10587	5582	5777	12858	14406	7591	12400	2842	0	0	5526	5930	3621	2393	4568	6402	8821	2733	1208	10174	5409	0	7193	9779	Peptide	0.30769232	1.6923077	0.30769232
2	C13 H22 O4 N4	299.1714	299.1719	-0.004715428	299.1714	9017	8359	7988	8575	4217	0	6634	12613	4102	3498	2359	8360	5944	2379	9852	6092	10233	6190	6171	4338	3714	9013	9187	12112	7471	0	2218	21905	10609	6920	10343	10350	12039	8833	5066	9108	8538	7639	11005	3537	3020	5690	0	0	0	4228	2638	0	12106	6517	7814	7632	4666	0	6498	2309	3263	13382	3094	3047	6752	2027	5542	4990	3746	6552	5501	13663	0	1680	1298	9612	10482	7366	4914	8330	0	5947	6707	33856	6138	1985	3351	1605	4109	3322	11303	5326	6874	21556	17215	15845	24612	5553	1682	0	10221	8217	2934	2616	2302	8856	7657	5799	1960	12516	3417	0	10709	6271	Peptide	0.30769232	1.6923077	0.30769232
10	C18 H22 O2 N2	299.1754	299.17584	0.061591126	299.1754	5771	2628	3498	2537	838	1592	1646	7017	0	3594	5013	2197	0	0	3506	6920	2976	0	1273	8764	7148	0	1710	6929	12185	5800	2961	7565	7377	4945	3539	5410	5216	4100	0	4370	4804	2004	3412	4801	1140	3309	0	0	0	4714	3765	0	6755	6578	2804	2643	1558	0	0	0	713	7018	0	0	0	1699	0	0	0	0	1131	8878	0	6493	3820	5395	5107	2562	5138	4936	0	2994	1801	5312	1884	0	0	4064	0	0	1936	1575	0	8339	29871	0	10142	3390	10093	0	1835	2923	0	0	0	4756	2003	0	0	6151	0	0	5462	0	Phytochemical	0.11111111	1.2222222	0.11111111
12	C16 H26 O5	299.1853	299.1857	0.07636272	299.18533	15321	13912	16430	12342	6793	7154	19427	11321	3039	4595	0	5889	7525	8180	8185	25283	17190	6566	7109	3570	3653	12854	7109	14676	8185	4016	22861	0	11111	14930	9655	15550	10714	11875	2045	13235	15482	9048	21068	1626	0	8168	1187	0	376	4640	4625	0	19529	9439	9697	14596	6420	338	5645	6162	4938	17277	0	0	0	0	8211	3141	4998	7900	9334	18972	0	2333	0	5142	9807	15107	26471	14143	225	8115	8898	0	4749	2656	27815	18263	7481	6712	10159	4910	6708	25678	11512	11276	20731	0	8033	422	11877	10870	4056	7803	11355	12929	3334	5853	0	13616	8869	0	10285	5099	Lipid	0.3125	1.625	0.0
22	C16 H26 O5	299.1853	299.18567	0.17703018	299.18536	95723	87711	90013	94875	108605	111248	252828	95170	86220	73735	47848	41056	102792	142504	100158	92438	51974	146697	122227	82583	62602	61247	47901	56508	120318	29520	222906	118039	169127	110849	107360	146975	137191	106216	66960	144914	154324	80262	55479	32280	21095	83728	22043	3876	3966	51349	29960	12254	126911	75125	96271	86580	111084	10553	127474	79438	60727	120118	79068	31670	99039	40037	110547	78864	88312	165351	167917	49845	8485	16972	12000	74202	91541	124542	49240	108312	4680	60284	51561	176358	33292	73107	208313	133975	70966	85758	92708	69655	100122	62271	336155	281217	92114	45847	58764	6735	83261	96820	72399	66299	81368	159456	53844	94421	175476	86446	77229	10239	61742	99726	Lipid	0.3125	1.625	0.0
20	C16 H26 O5	299.1853	299.18567	0.16452985	299.18536	94936	94917	99817	86798	100353	84668	348110	92440	58891	47074	41946	44131	112720	176543	75705	100237	103452	115346	108319	66107	45478	62426	54823	64712	88846	69069	316475	94394	139433	93622	74274	111716	124980	102075	54106	118429	131494	62332	94817	30717	28827	88152	28172	2837	2509	51165	42131	3427	115221	58759	91156	95995	100104	6646	85430	70485	65001	124355	60522	43190	100230	20295	103838	68588	124098	152174	156346	99479	8772	26976	24871	79568	103405	113213	99137	88903	2444	59956	46339	221882	31792	57013	495419	330861	69871	74796	92947	75823	84770	81013	242733	187457	101291	59244	60542	6324	99308	111603	61931	84403	94852	139613	50007	80610	72748	89847	77570	3923	64223	97200	Lipid	0.3125	1.625	0.0
18	C16 H26 O5	299.1853	299.1857	0.14999081	299.18533	93618	92126	92636	86918	66982	79178	707171	80113	28411	34212	41804	38632	70052	474628	61400	108089	108463	74121	81940	43620	33918	42361	44537	55100	64113	231694	647133	58409	105211	81577	62432	93227	110804	91226	26334	101335	101087	57692	105910	12059	29820	75340	20097	1457	1347	38735	36723	1359	95909	63444	94991	80813	65623	3201	57615	72687	54624	106912	34895	50805	120960	22437	160094	36808	254834	93073	194687	105104	27721	31224	33338	55477	66062	98112	93513	81344	1381	39484	48624	102573	33501	72122	1060086	979847	52885	54894	75766	52287	72004	85955	114081	92826	109196	30600	44787	5012	88513	91303	57452	66323	69904	120065	45292	61489	30030	71330	41948	1460	50435	76134	Lipid	0.3125	1.625	0.0
24	C16 H26 O5	299.1853	299.18567	0.21385498	299.18536	31709	30215	32738	33012	42514	37120	58230	27911	29129	28684	22886	12243	54705	51048	34299	23090	19462	53616	58419	23143	20188	19311	24248	21049	31544	6193	52754	75685	37742	27703	23990	34468	40104	28352	29360	35489	50013	20891	22761	12570	8332	27740	10132	2608	5284	19054	12860	0	38313	20189	32882	33918	32534	9663	50659	27462	21865	35804	31389	16646	32084	11470	49114	29104	24320	66964	66289	19384	2862	7308	5952	20744	27033	30265	16408	24859	8368	19143	16588	56505	11928	27997	50800	30416	22271	23173	28017	18181	31017	17788	158151	137833	31475	20260	26173	2908	34196	30963	22459	16479	27261	41262	13981	32388	62074	31215	22412	2715	18891	38049	Lipid	0.3125	1.625	0.0
6	C15 H26 O4 N2	299.19653	299.19705	0.15827161	299.1966	14048	14379	14156	13358	12968	11001	6238	12687	6736	8049	2175	7313	13607	6475	13728	20484	14366	13650	14967	11099	7278	20301	11628	20625	25557	1058	6171	0	17680	10611	14683	18997	18682	13962	13098	11247	23031	9915	9825	6217	3504	7383	0	0	0	10604	5803	0	19817	9791	14295	10523	10143	0	11220	3163	2393	27629	1053	1347	26488	1617	7817	7399	2737	13873	10818	14815	0	8396	2725	14918	12225	13829	7446	9462	0	8541	8228	3064	4058	2247	2667	2417	3801	4602	16081	6717	8398	24489	34934	23688	47575	4270	8648	0	12846	9838	4826	2734	3862	17697	6275	12369	0	20991	7163	0	10368	15633	Peptide	0.26666668	1.7333333	0.13333334
14	C15 H26 O4 N2	299.19653	299.19693	0.15323476	299.1966	2828	0	1862	2489	22641	3864	4471	2788	16078	0	0	1928	8644	2140	0	0	4938	0	0	1578	0	0	1613	3503	1206	0	2548	0	1833	1910	1784	0	1840	1278	0	2749	1515	1431	4468	0	0	0	0	0	0	2694	0	0	1634	0	0	4481	9736	0	3615	2148	869	6097	0	0	0	1293	0	4457	1039	11358	949	4658	0	0	0	1062	2856	1452	2112	1172	0	1066	0	0	0	0	1195	0	0	0	4176	1527	1085	6990	8729	2588	3049	0	2060	0	2643	3521	12612	1958	2239	2660	1685	1847	0	4379	37310	0	2599	7445	Peptide	0.26666668	1.7333333	0.13333334
4	C15 H26 O4 N2	299.19653	299.1971	0.14726755	299.19656	11948	13358	11159	11642	8246	7054	8495	14872	5720	10324	2493	5987	7981	3492	12581	23376	29301	11716	11116	10860	10534	17173	9312	20207	20590	1771	10085	3088	15657	10519	10452	14333	16742	12152	18225	13213	19547	7758	27379	6430	3373	6222	0	0	0	9012	5285	0	14540	8646	12300	10205	11481	0	9402	2930	3723	22858	2408	1568	20605	3690	7510	6756	2263	8277	7087	42380	2285	5686	3838	10357	8679	9683	9588	8857	0	8341	9878	36984	5951	2471	4020	3173	4195	5092	13898	7530	8113	71070	31560	22421	44604	5812	8671	0	12022	14764	4283	2356	2983	14046	6202	15188	3574	18486	5340	0	11066	10776	Peptide	0.26666668	1.7333333	0.13333334
8	C15 H26 O4 N2	299.19653	299.19702	0.1514543	299.1966	7706	8234	7875	7458	5392	4384	3682	8525	3174	3773	1119	3420	6144	3420	5898	10817	5050	6867	7061	5583	3889	10418	3957	10048	9346	785	4976	0	8775	6129	5917	8669	9392	7770	6530	7380	13858	5366	9456	2906	1435	3324	0	0	0	3979	2933	0	13892	7688	7574	8256	4092	0	3542	1593	1880	14423	0	1795	11686	1502	5414	2605	0	5653	4514	29166	0	4404	3777	5577	6572	6082	3283	4576	0	4040	5298	0	3624	1852	1625	1735	1208	0	9095	3728	4899	20580	16003	15071	34383	2856	3813	0	7121	6347	1707	1254	0	10169	4554	7896	0	12055	3022	0	7564	5882	Peptide	0.26666668	1.7333333	0.13333334
2	C15 H26 O4 N2	299.19653	299.1971	0.15507235	299.1966	12984	13473	12158	11427	8466	0	10268	14942	5717	7250	3176	6503	7951	3696	9277	16409	13301	11417	10783	9825	9204	17265	8419	15644	12161	2357	7357	4703	11794	9072	12386	13761	17351	10258	10559	12155	16843	8186	14900	6795	6001	7397	0	0	0	5990	4799	0	15609	12051	11658	11832	6804	0	8336	2602	3064	20993	2692	2026	16357	3302	7547	7436	3308	8118	8369	16482	2547	6973	6149	9356	10159	9861	10288	9451	0	7734	10659	5826	6700	2681	3915	2962	4712	4255	15486	5305	7590	30749	24199	22456	38519	5357	10792	0	11544	11722	3471	2532	3997	14702	7167	11601	2860	16216	5301	0	9619	10740	Peptide	0.26666668	1.7333333	0.13333334
12	C20 H26 O2	299.20056	299.20096	0.25065964	299.20062	4286	5352	3708	3036	1044	0	2120	2185	979	0	0	1314	0	2216	1639	4657	6502	0	0	0	0	0	1159	5165	2545	0	7374	0	3009	4083	2022	2643	0	1416	0	2215	2838	2929	5764	0	0	0	580	0	328	1529	0	810	3533	3133	2873	5329	1110	451	2445	1219	1402	4448	0	0	0	0	0	0	0	0	0	8199	0	0	0	1165	0	2974	6632	1094	277	1217	4639	0	2290	1613	1252	0	0	1255	5033	946	1091	20143	2918	3332	4920	0	1287	518	5849	2251	0	2658	2116	3431	2711	0	0	1746	0	0	5339	0	Phytochemical	0.1	1.3	0.0
26	C20 H26 O2	299.20056	299.20096	0.18531637	299.20062	364351	360377	344044	335326	255098	163037	222513	550562	241011	135568	258752	291550	227085	215109	808440	575214	590664	193000	309214	239488	249228	404806	227503	411707	667639	427334	242111	366735	368501	467049	423533	468179	499921	297294	232028	596267	396016	755149	610641	216789	268456	1489869	13640	7766	0	212314	274169	8775	405338	449038	382483	341852	228960	13820	264639	281837	254354	588598	203031	206661	468248	135140	174224	202106	133624	238963	294705	659888	353586	255980	310157	228994	267165	420573	627023	415300	0	266675	496546	1484858	372544	268388	239676	201032	313204	229511	693626	223147	218531	817530	412163	367249	587166	1213683	387493	8069	355665	382226	416845	422474	453106	825674	252694	323241	201097	398150	274966	6664	590179	128698	Phytochemical	0.1	1.3	0.0
28	C20 H26 O2	299.20056	299.20096	0.15735689	299.2006	74112	72955	65230	68249	53520	35175	67569	114959	56083	27963	58584	47036	52156	57466	107974	85982	101949	48180	73947	35766	47998	121518	59622	64531	99568	52492	70889	125338	85575	92907	90331	100010	92749	58903	33756	134718	74407	112396	106936	32820	28320	125927	7677	7265	12542	36546	27774	8451	71486	88261	70385	65676	63514	12014	76741	69074	60350	103593	35305	25702	83806	22897	36792	45284	37238	68015	76272	100499	42201	35676	36052	41299	50230	92065	74907	76493	9916	51392	126305	724532	62281	60939	42008	35580	100221	56957	209161	40756	52134	153837	57444	69696	94307	1290131	117829	6207	67837	76743	96046	116891	146610	127919	57027	49218	58305	95383	86893	6301	85793	29727	Phytochemical	0.1	1.3	0.0
16	C20 H26 O2	299.20056	299.20096	0.12926234	299.2006	16926	21983	14890	18948	11597	7454	30452	22312	10276	6647	6413	18926	7042	10473	15322	30387	63784	5349	12165	9112	7489	22157	12368	21707	28722	9913	30522	7012	11543	21985	19526	23475	19865	12974	6515	20901	18422	21649	63419	6222	10343	9162	1030	687	596	8404	13707	1206	20265	28694	24699	17131	11479	557	8552	13183	14700	31564	9077	22948	23572	3826	13066	4223	13192	10591	9742	62040	7724	9562	11949	10489	13396	22681	45786	18159	431	17675	34459	17236	26605	15127	15204	9225	16573	14809	43728	9592	7884	105400	18955	14094	0	9311	14107	702	19961	17409	10453	29786	27713	20125	14094	13950	7047	26803	14427	475	39911	5235	Phytochemical	0.1	1.3	0.0
18	C20 H26 O2	299.20056	299.20096	0.16121191	299.2006	57133	63455	47118	52045	35986	21817	80698	61978	25630	24266	33984	54466	26454	26877	65404	92674	185823	27916	36713	33467	26754	53872	49305	59143	71161	41548	79046	33789	44512	54044	46628	74110	65242	48071	23337	64915	49283	72564	195283	21568	51566	34851	1752	564	803	28913	37515	1062	56406	60837	63699	55079	35508	1004	36658	44022	40372	89706	33191	68697	67235	21137	28035	28048	32945	25927	38920	216869	24937	36736	50344	32698	31087	66544	174170	65666	446	38606	97690	58586	82957	46677	58630	29861	57835	47116	112034	29447	33786	278014	67208	62662	91465	42462	40821	1408	53719	58077	37038	68643	79537	68975	51013	43370	24563	67795	41264	659	110464	20097	Phytochemical	0.1	1.3	0.0
24	C20 H26 O2	299.20056	299.2009	0.15259956	299.2006	491436	540262	454731	492040	334527	244797	394630	907251	244143	237541	342096	435300	278209	314449	1018073	1107453	1174371	264255	412578	330562	350824	507267	387443	689324	760304	621588	405683	396759	491699	668283	534325	694527	553193	504094	278523	802499	539198	944718	1088509	297475	356798	991904	16468	4550	0	335327	485508	5841	593115	878821	496330	495122	306521	9195	352146	329007	379316	851866	249570	338199	793263	183914	238275	238363	224615	304963	372772	1005960	445654	388913	540586	393668	424589	568818	969566	619818	0	383714	738759	656660	790419	312000	324504	265580	381175	320305	865937	308784	342807	1582845	594815	491467	913301	503615	531473	5711	504868	523205	411897	398940	480208	772185	385324	454938	270802	669593	318021	4497	844138	205356	Phytochemical	0.1	1.3	0.0
20	C20 H26 O2	299.20056	299.20093	0.16804668	299.2006	154873	158370	150579	139853	97239	64586	170251	183709	85420	80032	81887	142894	71859	93430	163086	252966	467425	70905	116979	99573	94857	142409	110965	198586	189530	144768	199916	86604	144216	160442	114139	176388	170383	125406	90407	185705	154514	151712	457690	66919	132651	95568	4052	1576	808	88952	133014	2851	140766	169326	149649	160465	91662	2399	96247	98256	98386	232299	85150	169165	183902	55221	81497	75336	87128	73131	91062	471578	97256	116263	171936	85475	103705	150264	438932	156192	702	102172	219890	150624	170965	79545	138410	94979	131356	112191	282063	90826	97035	596071	168800	160506	282426	105018	106479	2124	148837	160272	102552	158252	175758	200068	129255	135520	69536	181546	130322	1287	256595	60528	Phytochemical	0.1	1.3	0.0
14	C20 H26 O2	299.20056	299.20096	0.1885417	299.20062	7151	5611	5432	9199	4420	2152	9878	6788	2522	0	3006	4440	0	3102	6212	7549	23076	0	2636	3052	1950	6923	4259	8813	7904	2399	14087	0	3826	8220	5319	0	6321	2910	2491	5991	5290	6897	24430	1093	0	1740	0	674	347	2897	6504	1021	7178	9264	11409	5317	1935	308	3434	3900	5265	14342	0	6032	0	0	2002	1715	2844	0	3479	21905	0	0	4680	5246	6423	6101	11908	7221	420	4737	13342	0	10197	6251	9350	3750	6499	5004	15725	1706	2825	47567	7229	6785	11060	3619	4184	495	6940	6550	3001	8783	7876	7645	5288	5638	0	6777	5040	0	15596	1706	Phytochemical	0.1	1.3	0.0
22	C20 H26 O2	299.20056	299.20093	0.13255033	299.2006	294255	342311	252238	297347	213732	157451	289937	453482	168876	180654	215069	271321	138100	204670	475521	554210	809531	163739	214433	203968	215955	297743	249821	380147	431732	386087	340249	202306	327999	352178	272084	398531	364614	294156	180463	432042	314811	468393	810778	179545	274657	845989	6836	0	1777	190572	282140	3640	334425	395308	311180	295975	199439	3100	198872	227723	262095	499158	168864	275701	420844	127359	155118	150862	162533	182973	214104	772559	293982	314294	442100	204176	235633	310581	691048	356733	1360	227818	412219	296030	320409	175213	252468	167771	269106	232499	543338	205031	207962	1167037	373615	351457	506181	235327	268030	3669	261544	308651	249576	307640	306178	464962	282040	264080	155762	383771	224396	0	506470	147025	Phytochemical	0.1	1.3	0.0
26	C17 H30 O4	299.22168	299.22208	0.19934551	299.22174	43371	41396	50785	42183	29054	29426	211238	16176	11590	137394	243025	9703	8737	71353	23574	11381	583639	8487	9404	30072	40709	333003	7493	10554	19105	26652	168842	659218	16984	15093	10285	14056	18247	15243	182331	23445	12543	24099	409330	20585	22069	19970	21725	10496	15236	23965	31463	10429	16298	13518	47297	40897	19455	11161	9843	15245	17170	16819	28352	33942	18524	24938	16319	9990	82316	31502	45754	101570	15486	12272	16903	11734	10639	17285	16728	15336	12631	12270	15501	317259	9020	847344	59997	63483	15904	22102	30818	14101	16353	29491	215642	159918	20122	70840	27075	7896	50222	62906	38245	4951	13514	23642	11206	28989	448262	12850	21662	7934	18832	4766	Lipid	0.23529412	1.7647059	0.0
24	C17 H30 O4	299.22168	299.22205	0.16605307	299.22174	63609	58414	65063	61169	25524	40640	647538	27974	13799	22765	59056	11576	14104	875396	29096	17373	31596	11068	10935	18739	10703	16950	8917	11738	13949	54895	528903	210525	31344	20058	15213	25465	28080	22820	17016	26255	18937	29716	43891	21121	36433	35791	49608	5685	12204	35268	46926	6060	34549	25077	62092	53709	13005	27298	14427	28588	33284	17124	20404	40140	52060	19512	182140	10752	334788	61023	122355	48339	15968	38032	26454	13420	15027	20959	24297	21064	16566	9992	11493	574639	8766	59020	181747	211937	22749	41915	24256	21456	26827	25648	531862	455778	19228	75681	36262	11063	64416	69886	43600	6595	28813	23422	12946	48763	59772	18743	25039	4571	18862	54862	Lipid	0.23529412	1.7647059	0.0
22	C17 H30 O4	299.22168	299.22208	0.123515874	299.2217	28948	32025	28447	35975	7932	23778	466063	10663	2033	15186	21713	5196	5977	452026	3752	8977	21046	3120	9963	7733	6672	7491	2650	5143	3725	52125	544298	50277	11735	7719	2069	10973	4404	6973	0	10882	5883	9896	27809	9136	29009	28747	19766	0	1571	15495	25034	0	12022	7964	31814	31589	7250	3974	3427	34838	34824	10070	4126	38768	57310	11814	172619	1936	324256	21514	76283	22498	21746	23522	29298	5889	7198	8444	13122	10777	2132	1757	3610	205485	3797	41312	148949	227289	4122	16739	9708	15930	16457	19141	167160	124425	12506	24685	17495	3281	30262	36844	53295	2148	12625	5519	2045	35494	10243	6628	6258	0	6900	40757	Lipid	0.23529412	1.7647059	0.0
28	C17 H30 O4	299.22168	299.2221	0.2216357	299.22174	6572	3954	4444	4198	2561	3436	16094	5809	2844	8159	17748	3124	2615	5852	4442	6023	11467	1951	3006	4209	4098	2284	5038	3998	5365	3077	11703	67014	5547	5302	2977	2350	3607	3213	8473	2514	2981	3485	8298	2313	3197	4403	3077	3005	7315	4482	4421	2062	2465	5922	3712	3190	2372	5917	3970	5729	4381	3395	3648	4483	4246	2847	2217	2086	4875	3378	3792	5319	4592	2649	2257	3373	3189	4680	4274	2394	6340	3963	4572	27256	3391	53561	4755	4036	3710	4743	7185	1718	3920	3569	23658	17691	3629	6918	4699	3594	4132	5149	3364	2677	5028	5683	3233	4384	37929	4618	4097	2599	4118	2036	Lipid	0.23529412	1.7647059	0.0
20	C17 H30 O4	299.22168	299.222	0.31178942	299.22177	3545	4093	5637	4016	0	1530	62343	0	0	0	0	0	0	14531	1954	0	2808	0	0	0	0	0	0	0	0	11394	63970	23206	2898	1478	0	2249	0	2809	0	0	0	1065	3336	0	0	0	2143	0	0	0	0	0	2208	0	4495	4213	0	1041	0	0	1460	0	0	1811	2475	0	0	0	9648	1893	3604	2987	0	0	0	0	0	2206	3335	0	352	0	0	123705	0	2004	60732	92124	0	0	2109	3365	1925	3347	57208	43779	0	9332	1687	984	4283	3516	2004	0	0	1974	0	0	0	0	0	0	1246	0	Lipid	0.23529412	1.7647059	0.0
16	C16 H30 O3 N2	299.2329	299.23337	0.17723978	299.23297	3213	2711	2057	2671	0	9675	0	0	0	14247	0	0	0	2344	0	2823	2181	0	0	0	2001	0	0	0	0	0	0	0	0	4026	0	3481	11186	0	4287	0	0	0	0	0	1518	6480	714	0	0	4104	7735	0	12353	21988	2011	0	0	2312	0	0	0	2502	0	30811	0	0	3963	0	0	16435	0	4329	0	0	0	0	0	0	2579	11295	0	0	0	0	0	0	0	0	0	0	0	11555	0	0	9130	0	0	0	26887	0	2471	2420	0	0	0	0	0	0	0	0	0	0	0	31135	Lipid	0.1875	1.875	0.125
4	C16 H30 O3 N2	299.2329	299.23343	0.14613353	299.23297	2916	3047	2481	3368	6038	1223	5230	918	1229	0	0	504	16932	4867	973	2226	1206	1992	1339	0	0	529	471	2016	2214	0	5619	0	20895	1214	27082	3435	14632	3954	0	2269	15496	798	1227	0	0	432	1850	0	0	0	0	0	29439	0	3155	2859	2460	0	1730	2524	751	2144	0	0	1901	0	6926	1034	0	7024	1412	1432	0	0	0	614	698	1213	33992	1406	0	1085	1407	0	638	0	0	0	7933	1202	2904	677	383	5502	10802	1172	1543	0	0	0	2429	4739	1390	9568	13537	10393	734	0	0	734	6535	0	3087	7136	Lipid	0.1875	1.875	0.125
24	C21 H30 O1	299.23694	299.2373	0.16234754	299.237	14335	12657	7980	12243	7889	3464	30719	14185	5996	4515	10663	10533	2527	10798	8479	19745	41056	3589	8431	5431	5585	4270	7599	9018	10564	17393	31405	10482	10616	17807	10412	16102	11079	8429	5375	20293	13187	12874	43331	5302	10519	6575	0	0	0	5123	8751	0	15012	13376	12839	10739	7965	0	5896	5839	9877	14296	4597	10195	13390	3110	8474	4848	7723	8791	13655	41508	9526	6446	12465	3997	8497	20274	31083	16935	0	6934	21840	13094	9088	9563	10519	9473	7832	7443	39055	7051	11064	66846	11073	7807	14042	6929	3173	0	11363	13072	6521	9124	12783	14029	6828	10276	5252	9599	6483	0	22226	2659	Lipid	0.04761905	1.4285715	0.0
28	C21 H30 O1	299.23694	299.23734	0.20251796	299.237	5601	5823	6181	4698	3645	1350	9421	6532	2581	1394	7363	4549	0	4301	5363	6169	12129	0	6721	2654	3137	3350	4812	3388	8300	12993	8889	5861	10673	10220	4560	10117	6284	4930	2508	11026	4542	7035	10179	2269	3225	5642	0	0	0	2084	0	0	7387	7652	5003	5005	3007	0	3778	3115	3653	8511	4069	3428	4908	2074	2448	2336	3764	5174	8862	10187	9131	2772	5223	2251	3889	12239	10217	7003	0	3980	9325	9411	6520	3686	4874	4668	6292	3392	25674	4765	4803	14558	5777	6064	4698	4399	0	0	4548	5920	2756	5836	7371	9621	5432	4791	4636	4190	5099	0	8138	1627	Lipid	0.04761905	1.4285715	0.0
26	C21 H30 O1	299.23694	299.23734	0.18777995	299.237	17180	14757	15129	13269	9777	3642	32886	22621	7570	5929	16460	9839	4045	14109	18085	24579	39846	0	13490	8661	5515	10710	11002	10192	19887	37366	38706	21011	24506	24859	14137	27514	15285	13431	8037	30267	15211	19147	40760	10821	15088	14820	0	0	0	7316	8136	0	21515	23064	19785	17628	13450	0	9211	10375	13604	23009	7247	12431	20555	5782	5414	5017	11566	13571	24255	43119	23659	16994	18496	6840	13359	35910	34930	26178	0	9681	28789	21361	14616	13901	14942	13418	13751	12167	69085	10341	13648	83235	19326	15278	21750	9721	9400	0	15402	12973	9840	13318	12551	20203	10310	15777	10870	12615	14908	0	26659	3543	Lipid	0.04761905	1.4285715	0.0
22	C21 H30 O1	299.23694	299.23727	0.23105639	299.237	0	2730	1458	1746	0	1152	9692	2661	1148	0	3038	2121	0	0	3560	3960	14518	0	0	0	0	2052	2754	0	2810	0	10452	1918	2355	3784	3147	0	4007	1501	0	4104	1756	2664	14362	0	0	1795	0	0	0	0	1525	0	2186	3910	1501	4190	2027	0	0	2253	2384	3310	0	4658	1477	0	0	1031	4834	0	4605	23264	2229	0	0	0	1518	4078	8264	4004	0	1131	5629	2920	3265	0	1993	2278	2703	3508	8773	1186	2806	23143	2584	0	3362	0	0	0	2238	2954	2034	2805	2393	3874	2037	0	1506	0	2359	0	5699	1699	Lipid	0.04761905	1.4285715	0.0
6	C15 H30 O2 N4	299.24414	299.24457	-0.008550893	299.24414	1595	0	3609	951	0	0	27553	13667	0	5548	15567	6855	0	0	10575	40570	0	0	0	7151	4163	0	5040	44669	27209	0	17138	110497	18174	39874	28316	15853	39644	33093	0	18810	52914	7432	70489	0	0	0	0	0	0	0	0	0	16551	11064	3420	894	0	0	0	0	0	19241	0	0	23077	0	0	0	0	0	0	20398	0	1413	0	16538	15242	7963	1693	20996	0	8277	2840	0	953	0	0	0	0	0	810	1112	902	1143	0	0	49861	0	0	0	6111	8611	0	0	0	47598	8715	0	0	104544	0	0	15265	0	Peptide	0.13333334	2.0	0.26666668
8	C15 H30 O2 N4	299.24414	299.24457	0.23496014	299.24423	23175	23280	23953	21199	0	0	211333	0	0	8380	24587	72649	0	0	16603	1476	173375	0	0	0	1108	3759	0	0	871	0	257251	25680	0	6769	0	8603	47951	1044	4422	1284	20671	21719	216499	0	0	0	0	0	0	0	0	0	0	3855	19452	18993	0	0	0	0	827	17410	0	0	0	0	0	0	1587	0	0	244349	0	0	4284	1513	2919	1484	193471	14041	0	31554	0	0	5611	0	0	0	0	0	1929	805	0	9033	0	0	3541	0	0	0	16303	15501	0	0	0	65209	72184	0	0	1174	0	0	1753	0	Peptide	0.13333334	2.0	0.26666668
24	C18 H34 O3	299.25806	299.25842	0.20482665	299.25812	5317	10098	5016	6723	2822	8982	196233	1440	1067	2596	14365	1508	2904	66697	1693	2974	4474	0	0	1782	1362	1254	0	1481	0	11597	145235	31489	2221	3090	1073	1478	3055	1344	0	2365	3024	2243	5623	0	10176	8261	8118	3210	7391	4194	6043	3238	1900	4406	6393	6444	2522	7648	0	6747	6510	1153	2606	13161	3239	3753	9903	0	53447	1679	6387	3156	3321	3611	4740	1189	2032	2220	2112	4001	6146	1706	0	38776	1287	5747	29650	41750	1152	3916	1532	4554	7642	3628	22041	15544	3125	3403	6578	3218	7248	8014	13565	1187	2917	2756	1550	6840	2828	1663	3102	4291	2740	4824	Lipid	0.16666667	1.8888888	0.0
26	C18 H34 O3	299.25806	299.25845	0.15912397	299.25812	22343	18874	25114	22676	6444	11906	98806	10481	5394	3939	37864	9387	4425	60653	9998	5869	9008	0	7160	7889	4857	4972	8714	5392	8872	23431	112322	104620	5943	10435	7515	6638	5236	5602	5021	7254	4494	12535	10461	8264	16168	16120	16522	12335	18802	13753	20735	12898	7238	11127	20448	19396	7498	17033	4835	32272	104130	5183	10091	20390	9506	11299	13099	7911	204070	6406	20484	11152	23777	6113	7410	6225	7419	9512	0	10566	20059	9835	7231	137958	8542	19555	20006	27655	135501	150595	7635	20874	11546	7356	56848	79018	5864	20042	13244	15262	24385	25362	32943	126991	703200	5707	7273	15272	14351	5438	242969	11237	14525	8326	Lipid	0.16666667	1.8888888	0.0
10	C12 H13 O6 N1 S1	300.05365	300.05414	0.28820932	300.0537	7186	5414	5839	5867	10123	5181	1403	2299	9962	7111	8077	1629	11353	2054	1943	4307	4230	12574	8755	7220	8634	16906	3167	4305	1656	1771	2038	2685	1753	1569	1467	3192	3901	3236	10704	0	5291	2657	5174	16080	25424	3076	0	0	0	5079	11114	0	2681	1181	4506	8236	7649	0	7906	6046	2670	8311	6823	9121	0	14404	9842	6456	2730	8609	3772	4977	7002	5292	12370	0	0	0	1565	1802	0	0	3160	9712	3270	4592	3323	4718	6792	3474	4515	5105	5385	8416	7642	12578	10304	14233	17839	0	7379	6291	5896	9266	6079	3314	1337	4649	0	5786	6453	0	2533	15949	Organosulfur	0.5	1.0833334	0.083333336
12	C12 H13 O6 N1 S1	300.05365	300.05414	0.28351393	300.0537	6554	9534	8197	11384	11924	6454	0	1865	7035	7869	2682	1739	13283	7083	3051	7265	4267	12609	11254	5370	5785	22714	2071	6336	4030	1092	2864	0	0	1444	3111	1901	6175	3205	9138	1703	8417	2883	5662	8858	18575	5115	0	0	0	4256	6342	0	2159	0	9482	5849	10179	0	8028	8712	3187	7692	5299	6912	0	11452	7928	8077	3213	10897	4477	5039	0	5324	5671	0	1693	1530	3587	1664	0	2196	5492	0	2790	4905	2772	3642	6677	5434	7979	6009	6066	9230	10287	16455	5887	19507	22707	0	7692	9703	5027	10582	6506	6098	2476	3083	0	6847	9004	0	2335	12819	Organosulfur	0.5	1.0833334	0.083333336
8	C12 H13 O6 N1 S1	300.05365	300.05417	0.26429215	300.0537	3940	4911	2535	5968	7812	3156	1249	1495	5957	6465	6037	1794	10763	1972	1152	2650	1921	8821	6231	4422	7263	12862	1052	3071	1417	1162	905	3494	1200	941	1661	2048	2300	1332	8127	1145	4226	1496	3512	10416	21339	3340	0	0	0	3644	8228	0	1043	911	4357	5352	4796	0	5505	4621	2593	4718	3611	8113	0	9500	7683	5437	1776	6463	1616	3310	5417	4744	12166	0	968	0	0	0	0	592	2284	4813	715	2938	2494	2367	5995	0	2188	3323	4862	7524	0	11239	5053	14615	10392	0	3577	5459	4072	7427	6113	1645	1143	4132	0	3770	5738	0	1163	14785	Organosulfur	0.5	1.0833334	0.083333336
10	C12 H13 O8 N1	300.07138	300.0719	0.29095414	300.07147	13608	13603	13463	13278	25760	15318	4123	6704	31071	3603	6964	9605	47935	13069	6161	8715	13061	38765	32623	2297	7263	8077	12215	6453	1953	0	3186	0	5849	4220	6358	4328	12577	7732	7062	6015	17247	4852	10735	2811	10580	13686	0	0	0	2527	4031	0	6908	4002	13213	10966	24076	0	42874	23757	11216	9170	4010	7013	0	4773	53917	40889	11326	33650	16536	10794	0	0	1804	6101	3646	4468	6138	4428	0	6194	10149	0	6397	1423	1582	1060	24087	9025	7417	20051	19878	12456	0	4846	11993	8910	4501	0	13750	16111	19435	24201	22535	13734	6722	3885	0	12514	19136	0	2684	73055	Phytochemical	0.6666667	1.0833334	0.083333336
14	C12 H13 O8 N1	300.07138	300.07187	0.27602977	300.07147	5227	3647	3257	3941	10988	5933	0	4338	10281	0	2532	3519	18306	5350	4869	4294	3301	11940	8954	0	0	0	5214	3824	2676	0	1421	0	2908	1587	1149	0	3941	2204	0	2163	6078	2695	3312	0	0	4886	0	0	0	0	0	0	2088	0	3839	3716	6596	0	10950	5836	4732	3124	0	0	0	2022	21224	14489	4069	10741	5751	0	0	0	0	1968	2780	0	1679	2173	0	4074	3501	0	3575	0	0	0	9683	5106	4557	7836	8109	9305	0	0	4675	2925	0	0	3144	2229	4995	7784	11942	3543	4278	0	0	4868	7132	371	1342	27695	Phytochemical	0.6666667	1.0833334	0.083333336
8	C12 H13 O8 N1	300.07138	300.07196	0.3268274	300.0715	14987	18856	13158	15546	31107	15202	3441	5054	33699	7304	16179	10047	51979	9258	5089	10818	14251	38411	40969	7591	18159	19119	11207	7611	2308	534	4337	0	5519	4255	6804	5832	12018	4222	15772	3007	13087	5763	14363	7280	16741	22352	0	0	0	3230	5219	0	5731	3928	14480	18970	20795	264	42544	31124	15722	9437	3748	7937	8406	8841	71600	47207	13781	40215	17168	14049	0	1806	4591	3022	5399	4283	8889	4982	0	6544	8356	4089	4773	2687	1030	1418	24723	8446	8556	23712	23135	15985	0	6645	14051	11265	4787	0	13712	15388	22703	30058	24911	16201	7474	7660	0	12160	22101	0	3436	80125	Phytochemical	0.6666667	1.0833334	0.083333336
12	C12 H13 O8 N1	300.07138	300.0719	0.3080173	300.07147	7347	6054	8352	8911	20522	11806	3110	6135	21007	0	3049	7280	34457	6862	6852	5879	9427	29868	25197	2092	3094	9050	10229	7890	2058	0	1725	0	2901	4514	5161	5803	9820	4381	2394	4867	8039	4697	6798	1833	0	10661	499	0	0	1965	0	0	4710	4831	12323	9090	17541	0	23436	14331	9615	7605	5832	0	0	3426	42974	24487	10038	24001	12130	7280	0	0	0	4963	5927	2621	6571	3735	0	5837	6834	0	5260	868	1701	0	16933	7558	8945	14218	15250	11243	0	3969	7530	4893	1450	0	7985	9191	13170	13996	14297	7372	6257	3285	0	8193	14806	0	3839	48982	Phytochemical	0.6666667	1.0833334	0.083333336
18	C16 H13 O5 N1	300.08664	300.08707	0.23335621	300.08673	33765	38013	32586	29860	23935	14069	12004	10850	19960	93510	76888	10049	26430	16105	13223	20628	22083	23042	28963	50218	79784	84764	16772	21259	9241	50148	19260	55439	11181	7416	11684	11991	24926	12837	87580	9320	19189	7682	22119	78078	137408	19074	1485	330	937	35800	64577	1419	20386	9145	31787	28338	22517	1123	23011	16959	10180	18204	10662	30480	24030	52430	32368	17754	14213	31018	22258	23115	65420	54684	113788	8321	7648	3420	11282	7117	699	8061	25943	98571	16351	40878	21508	61614	27127	12356	27241	21474	20533	47982	47228	47511	31330	97610	115508	1250	33560	28853	17282	22493	21119	20687	8154	23613	24802	19766	13863	762	20755	26011	Phytochemical	0.3125	0.8125	0.0625
22	C16 H13 O5 N1	300.08664	300.08707	0.23271804	300.08673	8139	8113	6846	6073	7207	5554	2297	3650	7056	17338	15512	4219	4710	0	3330	8144	8872	4903	4170	3734	17923	20814	4246	6057	4985	4249	3916	10048	3144	2546	2966	0	5102	3240	16685	2223	5656	3263	7488	20757	46727	7713	0	0	717	14756	23397	0	2099	2997	7487	7007	6022	853	5306	3617	4411	5936	4471	8367	6642	12663	5151	4943	3270	9392	7106	9658	5769	7537	17447	4087	1056	1015	1385	2392	768	3671	7518	31369	5513	11844	4543	11285	5127	3791	8535	6900	8774	15292	7443	9598	5162	26735	25106	0	5066	3233	5447	6159	3186	4506	3968	5681	7342	6137	3451	0	6747	6619	Phytochemical	0.3125	0.8125	0.0625
20	C16 H13 O5 N1	300.08664	300.08707	0.24917561	300.08673	13472	15426	18659	17074	10106	7443	6271	10281	7975	36376	35914	6597	8344	9812	6569	9621	11666	12707	9104	22673	47618	39837	7676	13170	11689	30987	4612	24831	5464	6346	7672	6254	12690	7076	38836	8153	12996	4740	15013	46698	93872	7413	1899	1013	746	18235	45866	1118	7234	6142	21469	19472	12258	990	10511	9634	8831	10597	5706	19966	11584	30053	11067	10384	5877	12450	9535	16079	34191	34730	58211	7032	5245	2327	10082	4845	627	2639	13594	62697	8149	20278	9778	35284	8502	7450	14220	13057	8527	26694	23090	24362	19819	58298	48773	1412	15190	21845	9401	9267	8351	12313	4888	16778	14516	14569	6701	1016	10263	13463	Phytochemical	0.3125	0.8125	0.0625
16	C13 H17 O5 N1 S1	300.09003	300.09048	0.23579127	300.0901	9625	14221	10141	12163	11723	12427	6096	6174	7482	19770	10739	4155	14392	6206	3195	8441	8952	12616	9237	17428	15083	30366	4186	9884	6897	5774	3596	12580	8942	2556	6620	9104	14123	7962	22408	5659	12855	5094	6780	34132	30179	7726	0	0	0	16868	22648	0	8680	3924	15998	15852	10709	0	8410	6719	3643	13724	14520	20032	10842	26298	6814	3296	3288	14192	8072	6460	5940	7814	11917	4950	3411	2760	6671	6353	0	4462	5194	24660	2662	16631	15817	20596	8442	3810	7473	7995	10145	0	40904	61937	0	23551	48203	0	13301	14979	5013	9130	7499	10633	3503	16132	11371	0	10365	0	5401	13909	Organosulfur	0.3846154	1.3076923	0.07692308
14	C13 H17 O5 N1 S1	300.09003	300.09048	0.21989451	300.0901	20922	25220	21330	20955	16050	14128	5115	4130	12836	44149	22021	4352	16443	4521	7141	11526	8316	14985	8465	32897	31719	53204	3700	8354	6824	12272	7377	18526	4848	4817	6651	8819	12056	7337	47185	5711	17912	4264	10078	58454	58809	5626	0	0	0	27307	37656	0	7412	3175	23366	17130	10471	0	9685	7032	3974	14134	19108	26934	0	41704	8173	6697	4870	13427	8152	11894	0	24995	22482	4997	4009	2615	6535	4673	0	3047	5482	21692	3531	27270	23316	40029	7828	7013	8408	11500	12338	13489	75363	90443	13883	43799	63073	0	21126	19226	9396	9133	9900	9529	3213	28881	0	14224	10427	0	8145	13529	Organosulfur	0.3846154	1.3076923	0.07692308
12	C13 H17 O7 N1	300.1078	300.10825	0.2100532	300.10785	208595	201136	224963	215982	235078	192795	130617	168572	323461	215835	161645	103743	336089	109182	138697	214390	167791	421623	369685	256349	282626	254550	155088	169813	93262	55907	117119	117107	177463	139386	154176	196138	250169	179328	297372	175610	253902	126002	187592	259039	281819	189073	6122	2033	2415	132342	130601	2004	201230	135831	205483	205113	241601	2328	469245	195252	122138	200399	177601	143236	205885	196830	317609	307417	90573	278725	170380	170115	152466	121270	154898	142229	158043	163617	163895	150771	1257	122233	116708	97346	96961	86834	89031	89563	186115	141163	136832	180341	210048	176699	160228	238086	228804	141917	174939	3198	239094	240711	199828	164490	169712	279744	115968	168328	77830	171302	237920	1498	92079	478323	Phytochemical	0.53846157	1.3076923	0.07692308
6	C13 H17 O7 N1	300.1078	300.1083	0.18878128	300.10785	144245	150631	142768	148092	156152	94270	70342	123511	210798	155320	124083	90951	247761	53392	86772	156254	147229	306077	274463	160702	216479	179813	107982	140900	43655	34562	65132	56182	110560	101836	109400	121221	185146	112405	181585	117221	172557	81067	183617	118557	211417	143583	3455	632	1222	114374	152387	717	136501	107015	150048	141565	152479	1908	280440	172997	95255	140187	106554	163624	132403	106693	286718	209567	77077	191773	142063	194270	89083	75599	110692	102259	107718	102370	76808	100585	730	76043	74263	61455	62657	60769	64684	46335	163276	106460	88929	147479	145182	156442	63713	112077	169763	122283	136058	1221	135112	146567	110492	140601	167161	185081	84818	158772	76853	134346	166747	674	48233	359892	Phytochemical	0.53846157	1.3076923	0.07692308
10	C13 H17 O7 N1	300.1078	300.10825	0.16639096	300.10782	358777	330812	333921	298711	448933	348708	186840	255918	555364	449170	282650	203596	722210	176027	214274	328351	305631	760923	655040	451464	541871	395210	245749	240826	126650	90825	209695	190245	308374	252733	243180	317385	509103	333097	560914	299309	487905	196358	355865	475560	496900	319924	10482	2091	2782	209306	247215	2011	300632	209759	347513	325351	424134	3559	791724	388246	182432	380399	270116	252844	363631	312653	527315	578226	171952	531870	291872	348136	248922	192286	243752	253465	275233	273878	284875	255750	1212	178936	169865	173818	138464	140174	151996	133482	361062	247493	202300	322376	354475	232377	209886	343989	319038	281978	355629	3209	352063	384052	316360	320453	313910	433402	197622	321743	137716	290529	424068	1516	133401	810496	Phytochemical	0.53846157	1.3076923	0.07692308
0	C12 H17 O6 N3	300.11902	300.11963	0.087083615	300.11905	9018	8618	8784	8251	12777	13167	2192	11847	11333	3661	2319	6111	18612	4512	4486	0	6783	18749	15129	3787	8519	12351	5968	11168	3992	733	0	1259	13101	4880	9871	8845	18640	9937	5622	11045	13810	3215	7898	4122	4430	18577	0	0	0	4310	2212	0	13546	6186	7839	8042	13953	0	12636	7612	4237	15600	3078	3759	3484	1854	28907	16712	9361	19493	21016	10216	557	2184	1545	7927	9003	7398	0	9340	0	4079	3229	2042	3669	1420	1856	0	7042	4321	4569	13649	16850	9347	9115	4967	19193	1670	0	0	5572	9560	5726	7742	6815	8909	3494	6151	1688	15795	7013	0	3695	35274	Peptide	0.5	1.4166666	0.25
12	C17 H17 O4 N1	300.12305	300.1235	0.17482917	300.12308	45007	43887	48851	45330	32828	24161	23449	32773	35129	119522	98716	19191	23906	16701	17711	37698	38746	36302	40944	127582	170872	49031	22001	36940	21866	198205	20811	77196	29675	23643	28320	29491	38505	23903	136037	23654	34505	19749	35850	102945	137512	22520	1125	500	646	58580	75071	712	36585	29548	43715	50112	27747	371	30216	16532	16249	35847	9152	34470	29285	48577	32586	18757	13999	28945	26680	39640	141759	255636	328271	23255	22585	18242	28071	21764	434	20943	30014	48805	23979	28575	14245	72103	25971	15759	31779	22963	24070	78514	46556	33237	57579	65319	75819	1161	44306	42867	25400	20391	15607	30544	18271	32085	21957	33755	17727	510	24701	38848	Phytochemical	0.23529412	1.0	0.05882353
8	C17 H17 O4 N1	300.12305	300.12357	0.23785692	300.1231	45027	46947	40279	42801	26203	26642	16710	17852	24613	194258	121718	14394	32509	24340	16750	27855	27235	31342	50311	188231	215620	61844	17686	31821	16294	214850	19921	112494	17880	18496	18474	20078	29521	23037	193902	17771	33990	15702	34945	102737	129073	22422	1068	360	496	53648	84567	441	28616	19927	46890	47991	24324	366	30431	20053	14719	27575	4541	20050	29333	48023	26090	22145	12152	29918	22404	29634	189903	258556	315605	19992	17648	11964	17886	19811	360	14638	26119	57375	18482	20104	10592	75663	20863	12510	24018	24569	22061	49837	45826	31322	42516	72052	128715	416	44898	45338	23890	20187	17140	28488	13491	29048	24543	24495	16687	362	18252	32730	Phytochemical	0.23529412	1.0	0.05882353
6	C17 H17 O4 N1	300.12305	300.1236	0.21528177	300.1231	28654	29128	25866	30283	19750	15657	10111	16939	19673	102835	62709	9181	25010	15332	12379	20531	16888	24298	29533	105631	132300	48110	14059	22106	13109	143562	11570	54126	19166	13538	13550	15450	19895	15754	98178	13560	22249	12608	20029	50321	66257	14313	714	0	428	43459	65007	381	23194	13817	27338	32732	16855	402	19813	12429	9163	18840	3352	12191	26657	33270	21911	16484	8116	22216	19705	19843	110796	169189	219310	14613	9894	9843	11786	11973	338	9626	19832	52170	16203	17320	7886	43080	15045	9278	20336	17227	15765	38164	33095	18340	32093	50017	89959	464	26940	27631	12756	14163	13737	22789	9143	21920	25338	19754	11231	360	12068	21980	Phytochemical	0.23529412	1.0	0.05882353
14	C17 H17 O4 N1	300.12305	300.1235	0.20712027	300.1231	54000	55418	49065	48355	31443	19655	22888	26978	31757	139193	124663	14715	20842	20973	19832	43529	40278	33834	42225	124099	160546	70875	24070	33865	22615	220765	26413	106178	23003	24935	26620	28043	37076	22789	128784	24125	37428	17664	41637	108405	160125	24408	0	584	521	53415	69111	663	32750	21646	56051	45019	28239	480	21011	17029	17963	39139	15682	38419	27586	67696	36120	23863	14904	28612	29936	46039	165130	259467	349231	20846	20138	18801	25567	23402	440	19425	33383	70601	27602	37200	25133	78323	24879	17836	38883	28437	22741	81903	52050	53118	61839	84995	112692	628	52559	51885	22326	22783	18524	29053	21588	35313	20712	39748	18552	617	29190	36117	Phytochemical	0.23529412	1.0	0.05882353
22	C17 H17 O4 N1	300.12305	300.12347	0.26572928	300.1231	8788	9755	9531	9268	8425	3188	3798	6923	4414	18876	28158	3995	3559	0	2921	10284	6824	4470	5027	14009	17358	18216	5752	6226	6160	25118	2254	24547	3691	6179	2176	6997	7116	2764	16376	6206	7110	4181	8390	17767	31627	7146	0	0	898	11425	14855	0	7344	4432	10072	11007	5063	1031	4396	2816	3117	7300	5115	6343	8348	12725	3329	4352	2276	8105	5269	10709	34236	29204	44000	5955	4831	2813	4536	4338	1440	3597	5981	24842	4898	9452	7450	19697	3490	3303	8837	4537	3176	15191	12779	7974	10219	19210	13708	0	8325	6572	4511	4493	2427	9954	4304	9140	6454	8126	3709	0	5505	4553	Phytochemical	0.23529412	1.0	0.05882353
4	C17 H17 O4 N1	300.12305	300.12363	0.22752182	300.1231	9939	11616	9551	8952	8891	6153	4633	7832	8709	26272	17968	4764	9449	7572	5963	7628	8892	9191	13486	26547	32991	13330	6731	9716	5818	53699	5605	17708	6439	5680	4923	4938	9477	4607	31666	6556	7560	4939	10029	15490	20725	5899	0	324	395	14850	20324	759	6390	6775	9410	8352	7047	316	9978	5875	4898	7387	1516	4760	8612	10445	9207	8261	3359	9082	6632	8427	47878	50246	76535	6203	5318	4560	6068	5575	374	4411	7974	14955	8048	7819	3328	13301	8340	5684	8867	6010	6340	12027	8745	6076	13359	13823	26768	1059	9030	11173	8980	6920	7512	8895	4761	10135	9405	6077	6936	450	5045	8804	Phytochemical	0.23529412	1.0	0.05882353
10	C17 H17 O4 N1	300.12305	300.1235	0.17220981	300.12308	55499	49822	47820	43919	30368	27917	18794	34110	24489	166809	112270	19544	29541	20014	22394	44487	37166	37771	47682	178732	192898	63697	25117	46485	26641	197124	20900	95858	26368	27354	25931	29403	41347	31746	161884	26393	42194	18989	42371	108087	146224	24166	1137	0	613	58244	85237	616	31351	24847	49525	52605	23514	409	31111	15375	13993	43042	7528	28005	45301	56155	22805	23688	13580	32015	25862	41763	183438	239641	307908	25260	22175	19526	27536	25109	618	17593	31145	52144	26080	24053	11968	71201	21625	15647	31435	26679	23969	65628	55300	28632	62183	64226	127010	934	47195	53380	20398	17968	17715	42787	18121	34306	23930	36020	17693	488	29025	30327	Phytochemical	0.23529412	1.0	0.05882353
2	C14 H21 O4 N1 S1	300.1264	300.12738	0.78635585	300.12665	5904	0	0	4785	0	68552	0	0	0	2887	2913	4128	0	2802	3650	1676	5405	0	0	3521	5838	0	4932	0	1726	1141	0	1835	5795	0	0	5327	0	0	5217	4570	7294	3187	5630	8846	5537	0	0	0	0	2712	6648	0	0	3233	4684	6014	0	0	0	0	3749	6246	2749	4343	2472	6048	0	0	0	0	0	0	1652	2007	2888	0	0	0	0	4315	0	0	3067	2352	3153	2420	2299	2130	0	2984	0	0	7315	8228	9568	16026	9835	8158	1955	0	5314	0	0	0	0	5987	4405	3794	2537	0	0	0	2538	0	Organosulfur	0.2857143	1.5	0.071428575
18	C14 H21 O4 N1 S1	300.1264	300.1268	0.23367873	300.12646	0	2562	4177	2092	1785	21980	2976	6838	0	2789	3261	1141	0	1317	0	5994	2627	2442	8157	3953	3183	4385	0	1890	0	1309	3550	2855	0	2959	4541	3289	3343	0	2609	0	2952	0	2100	4033	5857	10754	0	0	0	6054	7610	0	6157	6220	1577	2995	1703	0	0	0	1040	5024	3487	4945	4579	1708	0	0	0	2055	3431	2722	1637	2153	3954	3517	1355	2165	2027	0	0	0	1424	9178	1131	3056	3129	3165	5724	2225	2326	2270	31390	5278	11428	16484	2808	6598	11720	0	3284	3819	0	0	0	3120	1391	4188	3330	2198	1918	0	1968	1913	Organosulfur	0.2857143	1.5	0.071428575
6	C16 H17 O3 N3	300.13428	300.13483	0.25847197	300.13434	12758	14704	14061	13017	4229	5563	8262	12858	3525	15823	14705	6717	2317	2796	9979	20260	13282	5692	7932	17711	20737	17958	8783	20628	10631	11222	8226	11425	10355	12247	10245	11706	12825	12286	16288	9995	14148	9160	15304	20520	37609	6021	0	0	0	14936	20565	0	15147	9256	11806	12263	5395	0	3513	1682	3945	19192	3039	17253	13174	12583	3694	2608	2980	4424	7319	20510	9893	16854	19000	10683	8803	7544	9286	7397	0	6544	10365	22953	9367	6233	6952	17500	3821	3725	12989	9844	7006	41358	23130	11721	31864	20309	30792	0	13885	12592	2703	3167	2275	13593	7450	13828	0	16472	2475	0	14385	4122	Peptide	0.1875	1.0625	0.1875
10	C19 H18 O1 N1 Na1	300.1359	300.13644	0.27637407	300.13596	9528	7402	8519	7279	2692	5310	7422	11648	2732	8374	9432	10384	0	1834	6447	15274	15798	3825	6554	9863	14769	10797	6733	17963	11067	9556	6070	7378	10638	13213	7897	10364	8908	9606	7338	9366	10497	5847	15671	9015	13356	3528	0	0	0	10325	10093	0	18651	8833	8998	6609	4631	0	0	0	3163	13002	2785	6895	11149	3688	1325	2748	4653	3319	3364	16979	9304	9108	11464	7795	7180	5074	15346	11696	0	7570	9658	13287	9192	3673	4774	8356	2952	2889	10399	9587	6812	36589	17029	9407	27117	9370	16003	0	8374	8446	3635	1903	2801	7367	5544	7902	0	14349	1791	0	9441	1686	Phytochemical	0.05263158	0.94736844	0.05263158
6	C14 H21 O6 N1	300.14417	300.14468	0.13448532	300.1442	291574	346276	292812	308284	116188	89605	89076	157651	144875	232935	114273	216046	191472	47813	120884	332146	132024	207325	214047	252278	295500	477586	238562	343918	71271	80016	84595	74543	184802	344876	298212	343850	417272	301300	607244	166000	403534	95161	337686	163421	385246	111231	3628	1290	2167	162981	187297	1373	220452	132745	324008	318852	119518	2539	450956	119711	71695	309706	140744	337434	160422	113919	190279	142717	56413	141818	120634	165027	109926	117585	143169	263948	136535	144273	93611	287712	1430	91140	184714	63845	144728	198700	232512	76801	117880	90517	211016	95091	124167	326078	137018	404904	199968	113512	172134	2604	153916	156496	81457	103428	123743	198627	199626	224231	83980	284710	112655	1130	139178	499916	Lipid	0.42857143	1.5	0.071428575
4	C14 H21 O6 N1	300.14417	300.14478	0.15229331	300.1442	142266	140982	67063	141332	128422	93988	26126	129028	145152	120252	55707	77194	122270	31212	74958	125124	62367	101587	194512	133085	129806	271466	41780	122922	26133	26191	26972	33892	56298	96678	107008	56037	81849	47438	165551	57294	153332	69650	153994	127554	92376	53251	2448	1465	1900	92559	78821	1480	68460	54675	136136	62438	59647	1922	199828	120352	59400	134888	154804	157716	138900	55429	249974	168034	26032	158822	91480	66431	46739	51647	54216	97230	98430	113338	24206	47274	1346	34956	76056	32310	62036	38081	47255	28008	116476	38546	34438	87230	115626	58521	91431	210582	157422	56232	93642	2515	123500	160382	46644	134724	121058	144922	67990	120199	47775	115066	106962	1306	46638	318816	Lipid	0.42857143	1.5	0.071428575
0	C14 H21 O6 N1	300.14417	300.14478	0.056120213	300.1442	16211	15939	16599	15484	15032	13151	6581	26061	17551	12192	6583	10032	25417	7622	7921	3617	11773	31383	21537	12948	30204	24050	10704	14634	5705	4768	1742	4808	29307	10312	20872	22437	73744	25888	27574	19522	27930	7035	12553	15817	12159	16752	0	876	1535	13074	7592	549	28138	13868	15466	13397	17799	870	34298	11540	6208	23601	13541	9507	10859	7382	26154	19387	15282	20859	23898	13031	5913	10736	6697	22507	26937	18633	2092	24892	1517	11889	5579	3964	5008	5070	6328	4437	10879	6692	6194	14866	22880	9760	16451	19000	22871	8110	4172	1229	15837	16239	8850	12062	10403	19214	7183	17140	5966	21221	10578	824	6037	39120	Lipid	0.42857143	1.5	0.071428575
10	C14 H21 O6 N1	300.14417	300.14462	0.14772497	300.1442	441946	391402	397789	373667	391491	319844	284472	481843	424700	470463	248527	290077	594828	191167	346795	533730	429313	767238	699739	727514	701886	464082	352253	452327	282374	481999	279913	231727	500526	441396	367497	437213	549572	444963	564983	473975	548685	263325	434248	466521	420796	390436	20125	7375	8445	414300	361796	7159	438575	380936	408709	420243	379849	10572	747148	437492	200085	490690	395203	351292	524307	278352	404799	493539	176011	475275	307613	397076	461165	513050	460929	367192	394661	435250	395820	371904	7737	270871	300441	219048	248653	261364	367762	223424	444245	315451	343337	321029	357467	336634	336881	489299	495269	295521	511861	10144	409475	526911	301301	340579	455600	580208	261064	593656	221879	343544	430917	7148	226046	555958	Lipid	0.42857143	1.5	0.071428575
2	C14 H21 O6 N1	300.14417	300.14478	0.2249333	300.14423	145972	143784	123538	141370	155648	81511	25366	64690	166010	106119	54054	86204	266986	37094	72086	27458	0	238126	207668	197464	293710	270398	78612	104496	37506	11894	9497	32963	89415	50309	70556	70493	117855	68410	309526	71425	197638	62476	59421	234644	152004	58317	1365	1148	1599	127446	116262	905	88655	40636	139670	149994	153804	1153	201688	47174	57128	174350	102744	54308	71578	81368	139628	203854	27254	107941	155526	124506	29768	52132	97710	72158	79644	56808	12951	68622	1081	38014	64222	26461	50894	31453	30482	40398	100744	29031	67068	127520	163174	131732	210106	246604	171522	66930	156934	1729	155192	144746	89388	129780	106912	130318	80558	183576	75048	137390	86666	890	43884	387286	Lipid	0.42857143	1.5	0.071428575
8	C14 H21 O6 N1	300.14417	300.14465	0.1379341	300.1442	257252	286395	205746	271993	207945	155631	156933	279778	239847	293868	158249	170160	334616	86477	212204	327831	285357	342763	399169	422799	420099	325597	227581	295174	152183	243284	161260	126145	346752	259185	210112	272054	293404	253485	417284	283616	313041	173196	289880	313913	294789	232834	7602	2236	3290	270603	274147	2023	329859	250466	240691	252144	207880	3716	433023	226062	126955	256151	238609	245171	292372	189377	264950	305198	101565	246420	184214	248952	252037	244686	272599	233814	241677	235838	205792	261333	2540	173346	216747	121150	167718	181583	235554	148346	245981	150923	218336	184964	229141	544998	198413	311231	338713	183621	289702	3962	258549	303297	170244	203978	250161	346580	160245	383864	117374	215267	238954	2364	144603	338117	Lipid	0.42857143	1.5	0.071428575
2	C13 H21 O5 N3	300.1554	300.156	0.1746348	300.15546	93282	100999	85555	91645	102477	80859	51060	97430	143585	39936	35576	67714	143405	32042	87599	85535	82790	144365	148052	52140	57828	123980	85416	118436	70350	5940	27787	68849	95538	63552	82136	76946	120050	77115	61067	80464	95129	73550	103833	43040	38810	82465	486	0	0	56688	37593	0	92560	62332	88136	96379	107198	0	163877	39763	57984	127153	48540	37404	82176	21765	99812	124899	53671	129587	92099	114441	11907	23782	18030	78501	74788	64185	31508	66156	0	58060	76601	184215	58572	26042	30174	13512	67346	77687	84598	101034	97229	159994	210776	189048	233866	66871	33991	0	90176	99962	76970	50150	53364	87434	65692	73310	24953	121661	112380	0	62387	164053	Peptide	0.3846154	1.6153846	0.23076923
4	C13 H21 O5 N3	300.1554	300.15598	0.14921339	300.15546	50167	54979	48801	47849	33029	37933	26181	56465	48845	31241	14956	30515	71513	13937	55301	66355	56052	82250	68639	42913	33121	100657	54169	76293	45295	6858	28308	20676	46211	35024	44185	44024	67197	39353	50844	47220	72327	43051	65863	32990	23318	35471	0	0	0	43330	33494	0	54980	46668	51716	44440	36353	0	128990	25078	25519	71712	44637	27998	66329	20991	64508	95728	18383	51876	30904	59817	10349	22623	12779	40517	32725	38601	24590	36636	0	34905	48995	77073	38944	21794	31417	12634	34568	33270	52199	34702	36461	102311	148818	124039	196853	28358	28820	0	47913	61126	28485	24254	25585	58721	37888	57147	22088	72618	31572	0	39987	83993	Peptide	0.3846154	1.6153846	0.23076923
6	C13 H21 O5 N3	300.1554	300.15594	0.16764568	300.15546	45981	48800	43722	49842	22617	19930	34724	51992	39096	26845	17601	25862	33682	12375	50028	63758	41830	43715	50440	30658	27685	66855	43871	59682	42480	4488	28483	42316	45124	36934	39584	49531	67785	45607	40684	39312	55969	39603	51946	20903	25882	24257	0	0	0	32436	29747	0	54300	37940	48993	45811	26930	0	51833	16256	19618	64258	26976	24053	59663	12735	44185	28991	17973	36166	29492	57330	9037	18751	16793	42958	40664	36832	24241	31658	0	30185	35435	76961	30640	20130	26578	9010	22800	28382	49464	32796	30852	93403	157460	120709	120335	27714	25226	0	45914	42808	18443	15270	19808	57811	29149	41989	14642	57763	23393	0	36016	45950	Peptide	0.3846154	1.6153846	0.23076923
8	C13 H21 O5 N3	300.1554	300.15588	0.16794877	300.15546	23144	21959	19308	23043	12677	13530	14430	24962	10886	12136	8129	14785	13365	6158	24591	35394	24315	20238	23461	10350	11914	34513	20139	37160	21620	2623	15145	15992	24297	16792	22214	30164	31057	22069	15045	20929	29846	20652	26415	10010	13184	13330	0	0	0	19342	10727	0	27318	18394	24165	24255	16317	0	17043	5321	8732	37221	9645	10687	31912	5366	11939	10923	10235	17557	13787	23804	0	4937	4512	22090	21190	17380	18535	22101	0	15223	21996	61853	13307	8993	10922	4919	9589	10020	26798	16592	17481	58454	73601	50461	69179	15086	11911	0	22816	19560	10171	8308	7353	26251	14045	16891	0	32639	10654	0	22330	16385	Peptide	0.3846154	1.6153846	0.23076923
12	C13 H21 O5 N3	300.1554	300.15576	-0.059369083	300.15536	4447	3441	3708	6776	1076	2389	4738	8190	1807	0	0	4020	2006	2474	3655	10435	7881	2501	4179	1733	0	0	5689	6710	6474	0	3184	0	5598	4297	5690	5932	7908	6198	0	6273	6448	3922	9132	0	0	2874	1039	0	0	2485	0	0	7220	3668	5028	2877	2334	348	2849	1467	1183	10153	0	0	0	0	0	1870	2368	3098	3954	6937	0	0	0	5081	5769	6127	5715	5489	0	3970	6239	0	4478	2306	1590	0	1775	1653	7116	3224	4382	14399	35153	10144	13836	3445	0	0	3849	3225	1488	1182	2195	4695	3198	0	0	9268	2588	0	6956	3144	Peptide	0.3846154	1.6153846	0.23076923
2	C18 H21 O3 N1	300.15942	300.15997	0.07802697	300.15945	8709	10509	7596	7942	1047	0	7333	23190	1410	12555	6573	9478	759	2304	9656	22394	11396	3148	3211	15728	17376	6487	8228	16665	10243	13880	7585	6700	13858	14148	13088	13420	11556	12357	10876	16665	12634	7882	12307	10775	7227	4591	192	0	0	5472	7408	0	17566	22784	8983	9923	1940	0	1475	556	1754	14409	0	1071	15271	5055	525	1784	0	1424	3714	13973	8786	14744	15850	17005	13734	16121	20609	14333	0	7998	6989	6400	7173	1664	1973	7683	715	1913	5522	4661	4503	13978	7448	3283	18644	6418	14144	0	8538	9572	1292	555	652	11971	8881	10957	3457	10379	643	0	7572	691	Phytochemical	0.16666667	1.1666666	0.055555556
16	C18 H21 O3 N1	300.15942	300.15985	0.19792426	300.1595	18851	21807	18000	13144	5808	3800	10178	6803	4453	34206	33932	9562	3587	6710	11485	19153	20951	3749	9079	42799	45046	22943	6816	12998	7895	80868	10848	29234	11639	9729	9512	13701	14551	9689	34502	8889	11466	10227	27083	39501	59135	8923	348	0	0	14322	37342	0	14388	10691	17836	15000	5767	403	4613	3072	6834	13783	7353	19482	8520	18997	2100	4278	7388	8905	7977	32473	66347	67585	118037	6976	7953	5801	21037	8464	0	7223	17877	29859	16181	13900	12510	29907	5670	3354	16032	13599	8921	38954	23429	17283	0	31552	46534	0	14584	17626	5077	4082	5029	14298	10319	12406	12595	0	2558	0	14510	5426	Phytochemical	0.16666667	1.1666666	0.055555556
14	C18 H21 O3 N1	300.15942	300.15985	0.16840144	300.1595	14342	20380	12011	17948	5033	5024	7265	9507	1862	37267	27292	5801	2159	5086	4484	10292	11843	2332	6465	45990	47971	12318	4377	12556	7737	73606	7614	34150	6667	6187	10463	10648	11288	9961	33147	7292	9589	6703	14783	28620	50972	9675	0	0	0	12287	18496	0	11150	6500	13544	14352	7155	0	2086	1118	4923	14182	0	11022	0	16982	3379	3409	3718	5166	8547	13232	46363	67649	102019	4363	10115	4834	8659	5990	0	5561	9927	0	8906	6989	8259	26736	3620	0	11164	7826	7525	21923	13057	9777	21476	19595	32435	0	14591	9239	4877	2448	3386	9733	7658	12097	0	12565	2337	0	10569	3608	Phytochemical	0.16666667	1.1666666	0.055555556
24	C18 H21 O3 N1	300.15942	300.15982	0.2837903	300.15952	3066	5239	5893	4106	5547	2639	1505	2884	2578	7715	19121	1964	3703	2551	1530	7653	4502	2130	6225	8127	9760	4633	1244	4161	3699	21630	0	17689	1986	1896	4137	5592	2143	6175	4891	2708	4069	2126	3179	6223	20882	3085	2630	0	0	5968	7716	0	6180	5079	5931	4952	4347	0	2804	2681	1981	4185	3902	4395	6596	8095	1639	2922	1640	2942	5515	4687	20176	9449	18650	3435	2780	2948	1643	3240	0	1963	6108	11625	2283	4664	2357	10564	2934	0	5205	1242	4013	9927	6336	5375	9279	9527	5957	0	6072	5438	2956	3869	2068	5717	2814	6431	4017	3291	3349	0	3417	2518	Phytochemical	0.16666667	1.1666666	0.055555556
22	C18 H21 O3 N1	300.15942	300.15982	0.21940522	300.1595	22648	14009	17515	12232	15283	7130	7457	9911	4568	34816	53967	7602	8133	6344	6977	16616	15805	8503	9915	32183	35380	23445	8201	19755	10429	73265	9571	51614	15034	10949	9625	11807	13756	15577	25228	13511	15664	7653	16949	38310	57501	9962	0	0	545	17668	23711	0	14199	12741	16153	12425	15757	1174	6752	6015	7098	15377	9190	26382	17897	33661	4914	3537	4852	9697	11430	19349	56276	48711	74641	10832	9255	8172	12008	12881	674	9390	12540	33175	6645	16041	14145	31226	7922	8305	14104	13315	12396	24116	24574	23306	21465	38021	24692	0	14249	17985	7797	9207	8994	17516	10418	21083	15490	15366	7350	0	9889	8228	Phytochemical	0.16666667	1.1666666	0.055555556
18	C18 H21 O3 N1	300.15942	300.15982	0.21934037	300.1595	21447	17072	19231	18122	8120	7991	9707	15554	3254	31209	37618	5733	4559	5369	9596	18948	19929	6001	10425	31573	43258	28238	7604	17278	7683	92925	10697	33549	6391	12183	9656	10850	18094	12643	31531	10260	18794	9131	18913	32223	66544	10117	594	0	0	18896	25900	392	16515	8126	17865	19916	9698	0	2727	2724	4979	14585	7584	20986	15904	27094	5092	2533	6616	7016	10844	25168	76364	73577	119238	8842	4642	10761	19724	13993	0	5818	7661	31047	8935	14910	11791	29438	3608	5217	14196	8341	7464	37309	26772	22261	24919	22843	31607	0	16252	16311	7582	2273	5220	20807	8511	11959	6813	12931	3199	0	11010	5862	Phytochemical	0.16666667	1.1666666	0.055555556
6	C18 H21 O3 N1	300.15942	300.1599	0.073314965	300.15945	34391	33164	31288	29010	7347	11795	11182	36257	5806	69103	35430	16863	5648	9577	11381	53827	19035	8990	24080	73054	88490	15389	14247	28831	24158	99519	16378	32367	39715	35712	95963	71860	80172	46468	66633	29587	79692	12160	22856	33326	30544	63725	0	0	0	18376	22880	0	119105	29517	29529	34702	29065	0	7098	3786	5298	66086	781	5369	51801	19172	5214	8806	5563	15360	88019	37611	55313	105852	123002	22214	16637	16766	317980	21491	0	20078	12135	18716	11268	3092	2580	29627	3159	5528	12847	15022	49984	33822	20341	5079	29888	20730	48229	0	32041	28581	4240	2890	2781	75038	16509	16634	0	23446	3278	0	13915	8689	Phytochemical	0.16666667	1.1666666	0.055555556
10	C18 H21 O3 N1	300.15942	300.15985	0.07945876	300.15945	21468	22632	21655	20760	7319	7335	11026	18103	4530	56094	38196	13958	3071	7441	9936	25032	13479	8732	12268	66522	73528	14752	10291	18329	10251	90645	11721	35615	15719	12422	15910	17123	28175	17633	49026	14378	26771	9313	20485	36239	31381	12163	0	0	0	19513	22110	0	22562	11077	20076	20050	9439	0	7014	1687	5816	21958	0	7820	19177	12200	3405	6807	4427	8065	9189	20685	58679	90410	98445	14995	10648	9066	18893	12112	0	8311	12138	17366	13095	4289	3348	27719	3418	3602	13366	12118	11354	33705	22392	4576	27091	21231	38939	0	19592	19940	4205	2333	1045	25209	9406	10467	0	16383	3277	0	10476	5432	Phytochemical	0.16666667	1.1666666	0.055555556
20	C18 H21 O3 N1	300.15942	300.15985	0.24012722	300.1595	20533	20236	18307	17821	13318	8611	6375	11704	4315	41406	53920	10966	5616	8340	8362	18178	17578	6022	10937	41926	43219	22255	5769	22514	11038	100181	7515	45473	12658	13941	11316	13409	15837	13999	33143	11838	15967	8318	23561	40433	77405	11871	696	0	278	18916	32433	0	14610	16830	17921	21056	10979	265	4611	4374	4747	15529	10023	23080	16086	22952	4744	4670	5138	9274	13569	22838	84145	73136	114186	14319	8532	8457	18493	12731	0	5304	11124	33516	7873	10096	13073	32167	8690	5026	11820	11964	11088	33035	26852	24934	23933	27215	27404	0	16736	21723	6764	5382	5684	17267	8249	25635	15935	21675	4978	0	11268	5517	Phytochemical	0.16666667	1.1666666	0.055555556
8	C18 H21 O3 N1	300.15942	300.1599	0.14802374	300.15945	22801	25024	20785	23583	10681	12871	10764	32858	7290	73171	46334	18198	7391	10076	14871	33144	22770	11334	16347	88055	93882	17798	13732	26105	13235	107617	15429	48784	18214	19428	19730	24126	27297	19846	80415	16712	37251	16348	28552	41065	37919	11881	0	0	0	17878	24835	0	29863	26920	24253	24286	12813	0	9562	3263	5551	24491	0	8377	27086	17665	6315	6933	7843	9661	13473	27487	71652	110684	136779	24064	19186	15346	39727	16875	0	18752	15051	26211	10989	3563	1475	35357	5688	3583	13889	12054	13976	39326	24699	6519	36758	29802	57550	0	26563	23481	8069	4324	2805	28935	14175	12807	8430	20393	5703	0	10958	8480	Phytochemical	0.16666667	1.1666666	0.055555556
4	C18 H21 O3 N1	300.15942	300.15997	0.09565914	300.15945	18106	19903	17995	16264	3361	6173	15244	43359	3036	43862	20218	16981	1818	4520	17541	38102	18498	6713	9877	41282	48713	19058	14354	31411	19220	47324	28536	22292	22603	17981	19316	21760	19549	18500	45367	19795	23140	15363	18514	24747	15991	6635	0	0	0	13210	20008	0	24109	39699	18949	17369	6368	0	3653	1476	3610	26157	812	2165	36316	12191	3136	3917	4451	5146	9137	25626	29868	50080	51412	20561	16443	20003	24368	18080	0	18786	14409	14830	13396	2735	2551	20156	2144	3276	13273	8617	8839	25692	24026	7575	41815	17404	42272	0	16504	20765	3045	1257	746	21142	15181	16380	8261	16964	1786	0	12153	3861	Phytochemical	0.16666667	1.1666666	0.055555556
12	C18 H21 O3 N1	300.15942	300.15985	0.13126546	300.15945	12861	12285	13278	16293	5385	4958	5689	10658	2892	37288	30964	5266	0	3102	4051	13644	11956	3870	6750	44984	47364	9601	5414	14863	5302	66755	7452	27367	9243	8348	8010	12731	11127	10190	37506	8214	12446	8459	12828	31980	27342	7164	0	0	0	12626	19583	0	14027	7373	12743	17321	4580	0	2432	1923	3755	15318	0	7359	0	10880	2373	2465	3228	6587	8855	13094	47889	68957	80093	10180	7444	6528	13472	8843	0	5882	6953	0	6242	3571	1923	18964	2679	2105	7121	6189	7263	23930	18609	9117	16422	16049	33496	0	11134	8899	4725	1769	2457	12342	4931	8235	0	10252	2514	0	9660	4051	Phytochemical	0.16666667	1.1666666	0.055555556
8	C11 H25 O8 N1	300.16528	300.16592	0.30490056	300.16537	1612	2374	0	1294	659	0	0	1888	721	2984	4266	0	1158	0	0	0	0	822	0	3598	1653	1346	899	1798	940	1750	1274	46083	777	0	0	0	0	0	1179	838	0	0	0	2404	818	815	622	650	1794	5613	7018	718	0	852	1841	2503	0	2212	0	1661	0	0	1663	1119	0	4256	0	679	0	845	785	1059	10508	6098	10564	0	0	1035	0	0	1954	659	0	91547	0	0	631	0	0	0	794	0	0	0	0	0	0	5065	10050	656	0	0	0	701	0	0	648	11078	9971	0	0	798	0	0	A-Sugar	0.72727275	2.2727273	0.09090909
6	C11 H25 O8 N1	300.16528	300.16586	0.059675097	300.1653	1761	2903	1776	2923	1396	969	789	935	683	4441	6436	0	588	0	907	1225	0	0	0	4185	0	1591	1169	2112	1174	1561	1880	23097	0	0	0	0	0	0	779	0	0	0	0	2425	2097	1923	1400	419	1267	9515	12734	639	0	945	2075	2096	606	1945	1304	761	390	0	2527	1965	5272	3711	1088	0	871	1234	1286	0	9672	5372	13300	0	0	610	0	0	1271	0	0	58580	0	771	490	0	0	0	697	0	0	0	6822	4718	1322	5961	8879	0	2342	4062	0	0	1878	0	0	6664	91881	0	752	545	0	0	A-Sugar	0.72727275	2.2727273	0.09090909
8	C20 H22 N1 Na1	300.17227	300.17273	0.5595398	300.17242	0	1444	1326	1076	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	851	0	0	0	0	29735	0	952	0	0	1530	0	0	0	0	0	0	0	0	0	1969	0	0	1061	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	176191	20253	0	0	1340	0	0	0	0	0	0	0	0	0	0	0	1104	0	0	0	0	0	0	0	0	1162	0	0	0	0	988	0	0	0	999	0	0	0	0	Phytochemical	0.0	1.1	0.05
10	C15 H25 O5 N1	300.18054	300.181	0.10336566	300.18057	65726	64306	56148	59739	158098	47332	51590	70646	45559	53519	29674	47684	126727	39228	47663	88255	79474	112511	104271	79745	73862	68320	48550	91719	44696	45032	40675	33018	80299	62555	52864	58609	80777	54165	64137	73647	77827	45447	78049	55187	49295	48759	3002	871	808	61777	57729	726	80761	57534	65544	57983	75701	1374	65662	68010	31011	79889	30216	51640	78339	27675	85885	46101	21485	106522	45665	80409	45614	52557	47638	50237	52222	57793	65864	63292	552	40209	62293	40127	47047	34621	50275	31403	89366	51956	65061	47096	45187	82237	67431	82293	106265	42363	67462	800	71551	83659	37981	84866	112066	93403	36083	84527	23414	57444	75186	510	48114	90381	Lipid	0.33333334	1.6666666	0.06666667
22	C15 H25 O5 N1	300.18054	300.18094	0.19318429	300.1806	21176	17979	13851	20721	42424	22198	17775	14710	26665	11743	10865	13799	30750	26405	21992	23961	21758	48721	40283	9967	14986	11824	21388	15043	18211	6578	15294	10361	22995	17241	11664	19571	23246	21229	13750	20728	25443	13038	19022	4036	9574	23979	2809	0	1980	7823	14697	0	17485	18141	20397	18416	31793	2072	36466	35160	21819	17161	8508	10468	23372	7114	27398	26858	14111	30590	27453	15911	5043	3323	6030	9978	15838	13400	16154	18547	1484	13367	22069	18270	15777	8191	14522	6037	49552	21888	29597	14233	19053	20772	31736	21767	24895	6680	13484	0	17653	23580	26424	41367	56856	28887	13734	19006	10387	17726	35621	0	13523	34499	Lipid	0.33333334	1.6666666	0.06666667
14	C15 H25 O5 N1	300.18054	300.181	0.14413205	300.1806	102771	95033	88025	104094	110041	86405	143948	131763	80275	58935	43982	66376	165763	118291	78656	165029	209112	166710	146427	119654	132042	104460	98702	112998	95369	161864	126866	59472	151127	124736	82875	95225	143852	104112	67031	140790	109451	65476	169552	53152	74761	110115	11725	1143	1202	92728	120964	1106	105438	98677	93193	76085	97370	2497	122698	137803	51369	150653	73071	89698	117651	39918	128651	94848	94656	133130	114653	154014	65728	89033	60030	91008	89075	110631	167024	109418	959	70805	107749	102498	68358	74901	235864	177792	176852	96712	126228	96670	82701	180871	125911	109236	163206	58051	123052	2901	96999	145740	77842	180090	254498	172643	60031	108600	57083	98552	136949	1332	78336	97476	Lipid	0.33333334	1.6666666	0.06666667
16	C15 H25 O5 N1	300.18054	300.18097	0.18639542	300.1806	281775	309874	328844	305989	207251	273706	412312	437367	119359	119762	102191	231506	227726	257742	225688	698543	817340	350445	378322	216526	199750	161751	250653	292409	250251	125481	353825	97632	777473	580232	431928	707159	653561	593912	138035	765383	613730	174975	727842	86910	100202	311579	13421	1766	1584	153520	156052	2245	741618	414671	324218	303674	256613	4017	170987	196268	124068	651789	80352	142744	589990	58774	170862	133608	159860	294003	365294	775103	88829	101246	92715	419509	678545	573478	879085	603335	1317	212396	195522	143592	113393	95299	209599	173102	244722	168535	307831	373662	383447	558760	194798	176290	387599	97081	160522	3382	286505	402718	119542	201759	297333	831359	167787	185741	78071	483663	200384	1990	240725	164613	Lipid	0.33333334	1.6666666	0.06666667
2	C15 H25 O5 N1	300.18054	300.18112	0.10559837	300.18057	106966	114629	95061	102245	74595	58001	59054	146390	41356	96362	48060	87811	65566	28285	104632	200562	72357	74781	101575	101150	108204	123671	82688	92044	66366	41998	51624	37932	151502	120300	143775	166739	246352	127339	148129	156338	234887	70237	80952	70864	69927	47690	744	0	478	58132	59102	287	159614	84636	101257	105892	60422	374	54068	27877	22803	153855	38080	36781	108385	38315	64867	56147	42194	67689	64686	90705	70563	82773	90469	136627	159662	176481	88544	129209	0	120374	53938	45573	34351	36793	39430	32314	34295	32533	130162	43815	59732	190766	169984	197680	159067	113018	94142	641	110751	116087	29956	34836	41207	159979	104333	110210	37032	107744	28322	306	56543	124465	Lipid	0.33333334	1.6666666	0.06666667
4	C15 H25 O5 N1	300.18054	300.18112	0.12360526	300.18057	94793	101810	98017	93284	42831	45708	52685	110026	40728	91430	34813	84781	62225	24999	106319	96410	49493	61898	84222	114396	95964	108496	83280	143840	64420	37104	54503	24463	129327	85227	133048	161099	254118	134839	164751	157672	239604	63061	60993	65427	48273	46246	974	388	621	69848	55781	620	154742	98821	97837	84345	41668	461	62950	26960	20581	134686	33378	25895	120504	34912	57082	54343	21254	52933	44906	51996	41160	73082	58641	105882	168494	202183	36760	115951	276	129725	44598	32598	30552	29739	40125	30504	33896	29650	83812	37752	62490	126059	263574	274680	242194	44279	77132	1117	92837	106560	26099	33331	29989	205548	107592	95981	36627	98365	28269	359	44561	90313	Lipid	0.33333334	1.6666666	0.06666667
8	C15 H25 O5 N1	300.18054	300.18106	0.19451582	300.1806	61496	61304	51447	60584	35410	26958	53184	61652	33379	48496	29488	39135	52582	52353	47765	79100	58019	44862	64349	63598	66544	77476	47209	73323	41310	31185	61586	26924	63510	56399	53142	73005	77846	57692	83514	55389	73281	44413	70119	48404	44569	34156	1588	344	483	53136	47896	436	71387	52673	57142	57385	36395	681	54300	36903	21335	77738	21855	36447	72667	30319	43524	32565	96132	45380	33382	70107	55690	47697	63600	52315	49669	57859	48198	62725	434	40864	51993	25428	44230	26645	36959	33927	42635	24056	63400	26971	34085	74390	81257	84798	97004	36394	56194	563	63210	61477	26569	40342	48063	71131	37946	79269	19973	52173	32679	319	45200	59521	Lipid	0.33333334	1.6666666	0.06666667
12	C15 H25 O5 N1	300.18054	300.181	0.11811565	300.18057	52881	54560	52678	48561	87990	53192	73026	118235	49034	43534	25369	60137	94607	46106	68197	83284	145242	92677	119167	69886	89936	63624	89068	76824	73859	70091	35397	35398	117367	60082	77122	71252	102381	71391	57939	90393	69798	61094	118832	49256	46280	59137	4708	622	828	79032	66677	827	75515	69460	46541	48627	70187	1846	87196	92577	45030	88028	48723	68130	42115	29221	77779	61483	51734	81934	69188	120702	44824	56876	55368	61395	74412	80099	66936	61666	0	60445	81969	47517	67782	52939	92229	64381	120568	69044	103604	41097	57740	154949	77069	85521	126655	43024	45576	1482	66839	76943	47967	106266	166743	68114	53757	53195	33371	79439	93849	1013	67270	77865	Lipid	0.33333334	1.6666666	0.06666667
20	C15 H25 O5 N1	300.18054	300.18094	0.18130738	300.1806	68489	64966	82443	64085	130168	81618	78861	71158	78512	49007	39689	50517	138489	131676	62945	114410	91458	132964	140762	75820	64039	47723	65517	78510	59121	34264	76456	38500	97670	74654	48916	76517	89217	82561	32802	84856	95703	52283	79504	34871	46295	90197	7491	1991	2225	46409	54269	2754	79331	60200	71870	74008	100997	2683	107086	142429	68058	94317	45575	50616	103071	29542	95669	88093	66765	96187	93499	73008	21554	23872	33276	49544	67173	70528	95147	64060	1695	42829	79692	63984	52360	37727	66183	33450	141039	77513	95318	74205	84571	98557	104382	92424	106926	47018	56258	2297	75704	101258	93896	153521	204583	119736	44745	77350	47101	63184	119564	2834	56116	97792	Lipid	0.33333334	1.6666666	0.06666667
8	C14 H25 O4 N3	300.19177	300.19226	0.22097962	300.19186	10117	9453	5626	10158	2377	13641	5652	9606	1602	3340	2847	2939	2419	0	5601	11861	4696	12736	6425	3639	3068	5923	4710	9108	7901	0	6372	16680	15635	6999	9784	22773	13292	9700	4581	19805	17485	5884	7023	3190	903	5013	0	0	0	2700	1353	0	12905	6332	6277	9243	3196	0	3815	763	2243	12559	0	0	10293	0	2460	1528	2701	4076	3975	5884	3497	1593	0	7001	9674	9541	8644	10572	0	5923	4736	45571	3253	1147	1243	0	1016	0	7263	4842	6449	10248	157393	55404	12077	7057	2774	0	9343	9887	1254	885	0	13634	5130	7493	0	7824	0	0	5401	3825	Peptide	0.2857143	1.7857143	0.21428572
14	C14 H25 O4 N3	300.19177	300.19214	0.051865935	300.1918	0	0	0	1352	0	0	0	0	0	0	0	0	0	0	0	0	2161	0	0	0	0	0	0	0	1900	0	0	0	3520	2657	3800	0	4994	1891	0	2049	1794	0	3724	0	0	0	0	0	0	0	0	0	2782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1741	0	0	0	0	0	0	1552	1097	0	1066	0	0	0	0	0	0	0	0	0	0	0	0	21457	3039	1900	0	0	0	1814	0	0	0	0	2731	0	0	0	1504	0	0	0	0	Peptide	0.2857143	1.7857143	0.21428572
10	C14 H25 O4 N3	300.19177	300.1922	0.12756865	300.19183	0	5332	5604	4888	1179	6586	2911	3933	1804	1711	1288	1406	1084	1504	2634	5087	8837	2874	5165	0	0	4421	3236	3558	4597	0	3354	5837	6915	6044	4105	6109	14319	6104	1720	4597	13929	3015	11271	1337	0	11002	0	0	0	0	0	0	7615	2959	4192	3605	3965	0	1255	1305	2400	6434	0	0	0	0	0	1240	2101	2111	3745	10243	0	0	0	3989	7771	4504	3126	7977	0	3057	2231	22875	2333	0	0	0	1355	2076	4076	2495	3132	6553	101407	22445	8851	4036	1730	0	6658	3572	1410	2445	1626	11169	2332	0	0	2943	1823	0	3138	1591	Peptide	0.2857143	1.7857143	0.21428572
12	C14 H25 O4 N3	300.19177	300.19217	0.042264856	300.1918	0	0	0	0	0	0	0	2324	0	0	0	0	0	0	0	0	0	0	1686	0	0	0	0	0	0	0	0	0	0	0	1856	0	3264	1444	0	1997	0	1297	3013	0	0	0	0	0	0	2430	0	0	1303	1300	0	0	0	0	0	0	0	1614	0	0	0	0	0	0	715	0	0	0	0	0	0	0	1469	1350	1809	0	0	0	0	16271	0	0	0	0	971	1137	0	1430	0	4179	37266	8744	0	0	0	0	0	0	0	0	980	1671	0	0	0	2073	0	0	0	0	Peptide	0.2857143	1.7857143	0.21428572
0	C14 H25 O4 N3	300.19177	300.1924	0.056506895	300.1918	8886	8881	8082	7586	7813	13771	6862	18366	9490	3173	2246	7376	8297	0	8641	6000	26203	16317	9934	2735	4127	16043	10128	8479	7766	640	1522	8215	15577	7428	15670	12255	25441	12625	4674	15549	16240	9755	29372	2998	2943	7294	0	0	0	3194	2343	0	14353	6684	9598	7909	13935	0	9106	2902	4316	16565	1950	2828	11198	1590	6012	6503	6740	8410	11032	37021	701	1487	1905	13193	13706	19956	0	19493	0	8187	9141	19173	6475	1639	2196	1401	4959	7519	9924	8914	11595	25940	16118	11709	23185	5428	0	0	7456	8046	5793	2609	5194	10571	9703	2851	2004	25281	7834	0	8988	11403	Peptide	0.2857143	1.7857143	0.21428572
6	C14 H25 O4 N3	300.19177	300.1923	0.15775917	300.19183	19801	20694	19958	20252	5238	21209	6235	10979	4436	8318	12094	4389	5766	4005	6909	14078	6968	29711	7254	4475	3808	8807	6399	13481	11861	1010	6192	53423	15256	7999	10706	12005	17624	15545	5624	9927	15762	5382	10391	2809	3085	6433	0	0	0	6746	3090	0	11414	7947	19944	18252	4901	0	5683	1411	2494	17315	921	1292	14396	2527	5579	2812	1686	4857	4240	12154	0	3769	0	8451	10247	8351	6174	9329	0	6565	6611	121261	4287	1920	2108	1565	2443	4768	10155	4759	5758	18794	851399	288475	20509	47999	11473	0	18635	16212	3048	1406	2209	13078	5951	8267	0	14708	2943	0	7777	11049	Peptide	0.2857143	1.7857143	0.21428572
4	C14 H25 O4 N3	300.19177	300.19232	0.11771152	300.1918	17416	17199	15831	15562	5126	17521	7150	11919	5038	3457	6272	6059	8078	3100	9498	15034	7515	7693	7565	6371	3463	10844	8345	12882	11174	1190	7684	54775	14151	7753	10799	13545	15223	6501	6971	12516	12687	6655	11233	2850	2257	5548	0	0	0	5917	2915	0	10801	10725	19879	15041	5399	0	7741	2109	2441	14198	2011	935	14227	2028	6627	3912	2342	7131	4083	10462	0	3520	0	7135	6515	9719	9134	9780	0	6345	7129	549446	4216	1776	2855	1952	2806	3821	8603	5152	5470	15266	745262	363323	19186	36725	10142	0	15054	19046	4234	2802	3650	12824	6274	8923	0	10684	4222	0	6539	9811	Peptide	0.2857143	1.7857143	0.21428572
2	C14 H25 O4 N3	300.19177	300.19235	0.09692191	300.1918	51599	50539	46021	47320	12217	43949	16830	33437	11254	11694	37858	14602	19370	10897	34525	28143	16125	31299	16704	14314	10783	22434	24392	28480	22000	1255	13263	207562	53145	25802	28083	47582	46922	16359	14638	44925	34758	19549	18835	6814	5544	13194	0	0	0	11409	5381	0	39378	22436	45738	47605	13886	0	15966	5508	6968	35679	5958	2994	24879	2881	14167	11982	9253	19306	16814	22278	1848	6506	3931	14948	15386	25497	15513	34306	0	20479	13476	1705505	11455	3995	5380	3289	7238	9289	20011	14245	16412	37676	1805338	1279746	50417	201591	13221	0	52489	52801	9525	5144	6837	37788	19998	22576	5440	25738	7510	0	13396	20118	Peptide	0.2857143	1.7857143	0.21428572
14	C19 H25 O2 N1	300.1958	300.19617	0.18625665	300.19586	5531	5418	5098	3282	1076	0	0	7105	1182	10292	10305	5180	0	0	1274	6633	2599	0	0	17376	9168	0	0	157707	4911	36028	2332	11103	5070	6660	6631	7425	5522	8230	7401	10145	7990	3286	2925	5089	0	1233	0	0	0	6693	0	0	8321	6406	3985	5221	1344	0	0	0	1040	4569	0	0	0	0	0	0	1143	0	2402	6613	19107	20466	26825	8524	10176	11303	5200	7512	0	7238	1811	0	1664	0	0	5354	0	0	2069	2353	1520	6304	5612	0	0	0	7880	0	4041	3737	0	0	0	6563	5239	0	0	2967	0	0	3756	0	Phytochemical	0.10526316	1.3157895	0.05263158
24	C19 H25 O2 N1	300.1958	300.1962	0.27134863	300.1959	1089	5597	1390	2006	2148	2206	0	2589	0	3255	5730	2739	0	1849	1979	5274	3015	2392	0	3026	3616	3117	1898	4423	0	26194	2084	6552	1961	2029	2124	3115	1269	3173	1470	3896	2910	1156	4324	2227	9891	2195	0	0	0	4316	4911	0	3289	2858	2699	2598	1341	0	1520	0	0	3612	1613	4008	4107	3250	0	0	1324	2449	3430	6758	19227	6356	19596	2573	1971	3262	3094	2547	0	0	3169	5574	2144	4061	2578	6990	1274	0	3872	3669	1192	10745	4033	3065	6109	3195	2899	0	3621	4240	0	0	0	4554	969	5428	4295	4890	1431	0	2095	0	Phytochemical	0.10526316	1.3157895	0.05263158
22	C19 H25 O2 N1	300.1958	300.19617	0.17149657	300.19586	5940	5327	5503	4611	2672	0	2721	2483	1517	4585	8129	3230	0	0	0	4484	7520	4051	0	5017	7392	6731	2574	4286	2114	32659	2190	11247	2807	3783	3350	4871	4363	3915	2221	4671	4997	1191	4443	10129	25941	1248	0	0	0	4653	16597	0	5891	4005	5085	4820	3111	0	2031	0	1552	4567	0	8921	3786	5170	3940	1435	0	1537	2748	4459	30522	20606	34283	2137	2893	2917	5093	2992	0	1379	2140	11308	1275	6697	1995	11732	2254	0	4290	3819	2703	17198	6471	6101	9033	6391	7678	0	5109	6469	1338	0	0	8261	2166	9938	4625	5037	1421	0	3472	2539	Phytochemical	0.10526316	1.3157895	0.05263158
8	C19 H25 O2 N1	300.1958	300.19632	0.21920559	300.19586	9966	10041	15193	12002	0	2575	5860	19855	0	18505	11751	12826	0	0	11755	26371	10546	1147	2893	29350	22111	2463	10074	20131	9895	13989	11181	9860	18285	17957	16187	22391	19817	23207	15740	22104	21708	11689	10078	12589	0	5211	0	0	0	6768	6575	0	31581	18698	11749	8514	3848	0	0	0	1572	19411	0	0	21486	1981	0	1025	2534	1982	4761	28694	4207	14346	10656	22622	24813	19843	19395	20554	0	12130	8774	8170	13493	789	0	11068	0	0	5200	9439	7941	33261	28488	0	35680	9098	18357	0	12313	14482	0	0	0	15314	12203	6140	0	22280	0	0	7668	0	Phytochemical	0.10526316	1.3157895	0.05263158
20	C19 H25 O2 N1	300.1958	300.19623	0.26977697	300.1959	0	3942	1882	0	1976	0	0	1567	0	2921	4289	0	0	0	0	3224	4050	0	3030	4637	5308	3865	0	1970	0	20233	2803	5165	1891	2401	0	4196	2028	0	1889	1794	1742	1942	3586	2062	9824	0	0	0	0	2307	5077	0	1774	2917	1872	2643	0	0	0	0	0	0	0	2664	0	1926	0	0	1210	0	1667	2107	14066	11934	19417	0	2535	0	3518	0	0	0	1367	3029	1403	0	0	0	0	1206	3592	1987	0	12213	4901	0	2994	3595	4290	0	1984	0	0	0	0	3044	1061	1479	0	2031	0	0	2341	1368	Phytochemical	0.10526316	1.3157895	0.05263158
10	C19 H25 O2 N1	300.1958	300.19626	0.12783854	300.19583	17062	14204	14581	16029	1179	3518	17858	32374	0	18122	20885	105144	0	1607	24356	34240	8973	1569	3691	32492	27074	0	11378	129259	16677	27584	34215	17363	15934	18920	18227	21680	23128	18699	16263	16008	23224	22691	8438	14154	0	5575	0	0	0	14934	14677	0	27329	28362	16031	17641	2736	0	0	0	3496	21661	0	0	29263	4541	0	889	12265	0	6476	19185	14681	21884	25265	28653	20052	17227	15781	18017	0	96360	18257	27780	22167	0	0	15521	0	1501	7459	6033	10801	24709	38838	0	20061	24730	62171	0	14440	14195	0	0	0	16439	95048	6075	0	14098	0	0	9919	0	Phytochemical	0.10526316	1.3157895	0.05263158
12	C19 H25 O2 N1	300.1958	300.19623	0.14335276	300.19586	4582	5659	8685	6571	0	2331	3718	9516	0	11626	14338	5583	0	760	4815	14411	4064	0	1824	17981	21272	0	3666	7685	3358	36266	10581	11867	7013	9404	7374	6679	9901	12016	11668	7809	7130	5993	2604	7437	0	3237	0	0	0	3111	4904	0	13354	10205	4726	6934	998	0	0	0	0	7460	0	0	0	0	0	0	841	0	3790	6163	0	23924	27414	14198	8601	6264	9348	6971	0	8662	2576	0	3374	0	0	7527	0	0	2344	2835	3601	13391	9811	0	6823	3189	13501	0	3465	2550	0	0	0	8626	9119	0	0	6363	0	0	2069	0	Phytochemical	0.10526316	1.3157895	0.05263158
6	C19 H25 O2 N1	300.1958	300.19632	0.12353112	300.19583	22075	22317	19752	25474	0	1746	57440	67908	504	13507	10453	29705	0	398	58140	236699	41079	865	2319	18970	17993	1641	36380	51455	24826	7542	68739	8969	24296	26715	152669	25830	34529	25804	12834	25357	39889	49104	32716	7754	792	5638	0	0	0	5080	4873	0	36260	45418	22284	26121	2979	0	605	0	2722	102072	0	0	200596	2948	0	1390	3489	894	5344	61383	3653	8558	7781	45870	21397	26594	23834	20462	0	37429	13563	7589	28742	0	0	7515	0	2841	8293	7908	5899	28018	21784	0	27125	6026	14945	0	22128	20394	0	0	0	36846	25826	6990	0	36173	0	0	13953	0	Phytochemical	0.10526316	1.3157895	0.05263158
24	C16 H29 O4 N1	300.21695	300.21732	0.22177434	300.217	10619	7995	9028	14736	24627	15382	13220	4641	8422	8477	7146	2769	19615	18649	4645	10866	11497	19385	19503	10441	19604	6053	2862	4899	5084	1460	13152	16983	9670	7272	5584	10767	12965	12762	7316	12030	6627	6285	12148	15534	20813	14512	2701	0	0	10546	14081	0	6794	4059	10682	10625	25038	0	8299	6750	10089	9128	10771	14438	10688	6940	17417	7783	12823	33391	57625	12482	0	1980	2007	3534	8573	11127	7365	6914	0	4217	2481	22013	2541	9840	13739	9297	11984	18897	5498	15541	18136	5004	46985	30238	9255	8334	11040	0	10813	16569	11820	5583	12539	13058	3792	19081	29872	8279	14503	0	4610	10842	Lipid	0.25	1.8125	0.0625
8	C16 H29 O4 N1	300.21695	300.21738	0.00457979	300.21695	12204	11225	9613	11730	4807	5469	20562	17719	4354	9398	2378	7232	9483	5617	9803	14231	10009	8584	5913	6969	5156	11269	7067	7364	17475	5137	19163	3706	11519	15072	16374	15672	15158	9451	12100	14364	19415	8788	11521	5014	2014	3583	0	0	0	6407	2279	0	15307	12963	10023	12015	6197	0	3502	1953	2510	17931	0	0	12456	0	3503	4723	2066	5875	6307	16592	0	6996	3869	14202	12984	18114	9258	13401	0	9966	5015	5465	2510	0	0	2515	1759	0	17011	3800	6288	27965	29900	9555	24463	3112	5562	0	9906	8622	2682	2350	2645	16661	7360	5790	0	13089	1938	0	7865	5765	Lipid	0.25	1.8125	0.0625
6	C16 H29 O4 N1	300.21695	300.21744	0.09771487	300.21695	37885	47383	44111	48321	5888	9984	276790	43407	2893	23713	25391	33295	3720	5269	109486	100131	53009	8226	15335	13596	17199	9230	68421	29971	79585	2832	204017	39131	41116	46699	59904	51036	303158	31315	41750	50571	265291	95582	50191	6873	3092	10126	0	0	0	9840	3733	0	82197	37172	45377	44030	22219	0	4326	2035	11269	102931	0	0	80705	2160	2154	7267	14895	9580	41401	77113	4408	15528	10777	24700	34188	57254	78858	36126	0	74679	29610	5419	18923	1310	1512	4524	2883	18868	109585	17668	13712	100954	40745	12813	77881	5388	9058	0	43118	43345	3424	780	1588	230823	48737	8391	0	104592	1185	0	45924	4123	Lipid	0.25	1.8125	0.0625
4	C16 H29 O4 N1	300.21695	300.2175	0.1274471	300.21698	12379	12914	13387	11807	2018	3034	43485	12135	1739	6646	0	6065	2464	2946	12410	13387	9972	3137	4528	7423	6355	10366	4884	9377	13714	2488	84722	8530	11093	7310	10578	10607	12180	9368	12288	9306	10821	11916	11067	4354	14351	4421	0	0	0	5495	51203	0	14716	11131	13904	9593	4677	0	2554	703	2545	17262	523	689	14722	7857	4893	2077	2518	4237	4918	18514	3627	6439	37604	16060	7361	10738	11485	6862	0	6521	6325	5732	2755	1676	2581	3267	1036	2948	20881	3339	4168	37434	38098	19991	16655	25853	11619	0	11601	12312	1482	756	1404	11673	7113	10342	5571	7644	1488	0	8524	3251	Lipid	0.25	1.8125	0.0625
14	C16 H29 O4 N1	300.21695	300.21735	0.23051907	300.217	11553	9741	9472	9153	3411	2225	3219	4146	0	0	0	4632	0	1563	0	18569	82168	2697	2549	0	2861	0	1166	2500	1982	0	1930	0	5334	5030	2543	12019	54372	11485	0	7433	47298	1443	59604	0	0	1349	0	0	0	0	0	0	9954	2305	9043	5233	4854	0	0	1145	1086	21256	0	0	0	0	0	0	1608	0	5080	198681	0	0	6176	4075	4544	3320	3589	5522	0	5123	41199	0	2578	0	0	0	0	2426	147007	4677	2758	312443	8962	0	8000	0	0	0	7079	8358	1382	0	0	30604	3822	2706	0	6423	0	0	1498	0	Lipid	0.25	1.8125	0.0625
18	C16 H29 O4 N1	300.21695	300.21732	0.1862695	300.21698	19104	11818	10412	12348	2911	6664	8649	32187	2587	2413	2743	2849	3750	5392	2433	9067	10929	4628	3325	3740	0	12469	20602	53475	3163	0	14066	1877	5498	108180	11494	6283	7346	9225	5671	3991	4817	3066	8835	0	4263	8739	4297	1196	0	10258	7464	5866	8930	72603	14897	12135	3736	2421	0	1850	2190	6538	1533	9447	5610	1436	2361	2049	3236	6797	10175	17365	0	0	6215	73150	21833	45224	15438	59363	754	1651	54306	23445	16200	1899	10793	9110	1289	4388	214228	7123	6205	303333	47535	10975	47384	15363	13773	605	12800	14495	2921	0	5682	9274	1480	4626	3223	70136	7460	1143	2890	4647	Lipid	0.25	1.8125	0.0625
2	C16 H29 O4 N1	300.21695	300.21753	0.15852657	300.21698	11724	10948	10653	10482	1070	0	22377	16925	934	7852	10452	8907	766	817	9060	16878	26774	3768	5088	9246	7389	8886	4967	11112	7789	1882	21733	34743	17650	15433	13004	20104	24116	17366	8543	16426	21515	8421	32185	5005	7113	16942	0	0	0	4858	8901	0	25427	14086	10879	12110	9169	0	1655	485	3278	14767	1481	1653	18187	10941	1464	1255	4046	7599	13998	31435	72846	6763	6162	35052	15999	12954	25106	12907	0	7809	7547	55771	4355	3074	3324	3924	1020	3276	12000	9826	8845	16337	23566	14150	13516	6639	15608	0	10657	12291	884	697	844	21377	6658	12997	5473	9069	411	0	7856	1539	Lipid	0.25	1.8125	0.0625
24	C17 H33 O3 N1	300.25333	300.25363	0.19410414	300.2534	2435	3260	3000	3428	2182	9505	36931	0	0	63619	1347	0	4883	10606	0	2194	1972	2718	1886	4779	19007	0	0	0	0	5778	29991	6205	1635	7743	1182	3273	7494	2281	3940	6562	4011	0	1477	1885	0	6262	4065	0	0	6861	4465	0	9026	25645	2403	4233	0	10975	0	0	0	1251	0	7621	2951	0	7720	5555	5232	12785	3041	0	0	6292	0	2735	1285	2475	1358	5453	0	1201	0	11110	0	4663	4550	15995	0	0	0	5502	1364	0	10654	2625	25515	0	20492	0	4078	2275	1151	0	0	5771	0	1404	1301	5066	0	0	0	15104	Lipid	0.1764706	1.9411764	0.05882353
26	C17 H33 O3 N1	300.25333	300.2536	0.2859784	300.25342	2127	2191	2182	2198	0	0	1650	0	0	0	4235	0	0	2595	6147	0	0	0	0	20960	30041	0	20588	0	0	0	2597	13377	0	0	0	0	0	8005	6324	0	0	6541	3219	49801	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31806	0	0	0	0	2968	3999	0	0	0	0	0	0	0	0	0	0	2391	18452	37494	15978	7569	25268	0	0	0	0	0	0	6319	4872	0	0	0	0	2358	0	0	0	0	0	0	0	11600	0	0	0	5421	0	Lipid	0.1764706	1.9411764	0.05882353
22	C17 H33 O3 N1	300.25333	300.25357	0.121335946	300.25336	0	0	1629	0	0	6750	41453	2233	0	3517	0	0	0	8679	0	1876	0	0	0	0	0	0	0	0	0	6621	41867	1891	0	4714	1049	4463	5604	0	0	2048	2218	0	1656	2289	1838	6194	0	0	0	2865	2251	0	6063	20027	0	1588	0	5473	0	0	2271	1529	0	2940	3135	0	2870	0	3760	2246	0	0	0	0	0	1443	0	1532	0	4861	365	0	0	0	0	2552	6625	25856	0	0	0	2693	0	1310	3585	0	6463	0	2877	0	1914	2588	0	0	0	0	0	0	0	0	0	0	0	12896	Lipid	0.1764706	1.9411764	0.05882353
20	C19 H41 O1 N1	300.32608	300.32645	-0.019781535	300.32608	0	0	0	0	0	0	0	0	0	0	0	890	0	0	0	0	0	0	0	0	0	0	0	0	35038	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	427	0	0	0	0	0	0	3619	0	0	0	294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	740	0	0	0	0	0	0	0	0	0	0	0	0	9856	0	Lipid	0.05263158	2.1578948	0.05263158
18	C15 H8 O7	301.03427	301.0347	0.28448707	301.03436	3278	4521	3928	5131	12308	8380	2435	1648	10324	0	1701	2393	25625	10806	5533	5921	5128	26171	16915	0	0	5471	5480	3907	4301	0	3073	0	0	0	0	0	5043	0	3161	0	5554	5806	2931	0	0	7438	979	0	400	2015	0	766	0	0	5603	6258	13248	319	13323	6609	6855	4599	0	984	3926	0	21355	11639	9127	14797	7857	4596	0	0	0	1788	1557	0	0	0	0	2522	10593	2666	9235	1430	0	0	18846	13396	8794	8964	10426	3030	0	0	0	4617	3878	0	6080	4619	9348	15212	11567	3170	3154	0	1498	2612	8075	350	3684	19298	Phytochemical	0.46666667	0.53333336	0.0
14	C15 H8 O7	301.03427	301.03473	0.31822693	301.03436	8639	7755	3961	4322	16353	7574	0	1911	15235	3827	3337	3411	28255	8583	6490	3863	2494	27689	21579	1637	3560	8378	7563	0	1727	0	2423	0	0	0	2192	0	4286	2501	3351	0	5946	3751	2364	1077	0	7197	0	0	0	1443	0	390	0	0	5519	4426	12810	0	21400	11373	8881	4676	0	0	0	0	33201	19125	7948	19156	8742	3303	0	0	0	2057	0	0	2706	2157	0	1503	10190	0	8266	2571	0	0	17149	7604	11549	8541	11131	6821	0	3247	7373	9742	3059	0	5509	4733	9713	20222	17603	5005	4165	0	0	4671	10304	0	2954	21592	Phytochemical	0.46666667	0.53333336	0.0
16	C15 H8 O7	301.03427	301.03473	0.34686303	301.0344	5865	6283	10599	3832	20572	10295	3782	1559	17595	2810	2263	3041	32979	13221	4101	2312	3460	27563	26301	0	3381	6896	6914	4055	4198	0	4814	0	1471	0	2492	0	4229	2305	5388	2677	3229	4559	4074	0	0	10313	269	0	332	0	1652	519	1693	0	7002	5274	14973	0	12755	9665	11387	6068	0	2092	0	1716	27506	15858	8074	28428	10109	4172	0	0	0	1282	0	0	2263	2590	278	3450	11787	5189	7284	0	1670	0	20062	12664	12714	12416	13853	0	3236	2436	0	6989	4788	427	6071	6513	11121	22915	16380	6753	4182	0	0	0	8322	0	2124	26165	Phytochemical	0.46666667	0.53333336	0.0
12	C15 H8 O7	301.03427	301.03476	0.27154607	301.03436	2439	4384	3728	4299	12356	5760	0	0	13663	1794	3480	2717	9330	5127	2374	0	2991	16035	14122	0	0	6045	5109	0	0	0	1800	0	0	0	0	0	3975	1362	2362	0	2276	1589	0	0	0	4791	0	0	0	0	0	0	1304	0	3495	5641	8347	0	12973	11290	5428	2353	0	0	0	0	20169	11530	4500	13729	5197	0	0	0	0	0	1157	0	1340	0	0	0	4569	0	3142	1073	0	0	13704	3967	5564	5854	6932	0	0	0	2289	3129	4281	0	3514	0	9126	19453	13494	3191	1944	0	0	3932	10304	0	1322	18030	Phytochemical	0.46666667	0.53333336	0.0
18	C14 H8 O6 N2	301.0455	301.0459	0.2237958	301.0456	2610	2814	2007	2544	1269	0	1707	0	0	0	0	1874	3071	1560	1864	7679	4108	5886	5348	0	0	3542	8161	25403	3082	0	0	0	0	2171	1644	2353	3553	0	0	0	2387	3382	5250	0	0	2663	0	0	0	2938	1339	464	0	1507	0	1648	2147	0	2838	0	1128	8649	0	1268	9030	0	2651	6495	1732	3096	2328	4510	0	0	0	1561	0	0	4364	0	0	1110	10680	0	9460	0	0	0	2330	2086	7538	4025	3792	20885	2958	0	20578	0	0	0	3355	2104	0	3452	0	2691	1977	3122	0	16280	1224	0	6736	2790	Unclassified	0.42857143	0.5714286	0.14285715
8	C12 H12 O9	301.05542	301.05594	0.2784567	301.05548	7930	6639	6659	8028	30110	10842	1201	0	29622	0	2302	2320	63619	10777	2259	1348	1581	27874	28646	0	2009	2138	2869	0	0	0	0	0	0	802	842	0	1859	973	1477	1191	2850	1726	0	0	1087	8690	0	0	0	0	0	0	1390	862	9013	6358	16513	0	24593	33465	10812	1469	0	1326	0	0	76752	39947	10121	42810	10138	2489	0	0	0	1294	0	891	1650	0	0	1155	3114	2822	1810	0	0	0	34921	6777	2678	13328	13386	1938	0	0	1805	1625	0	0	6857	6970	24326	52764	42037	2599	1779	0	0	1004	26168	0	714	73608	Phytochemical	0.75	1.0	0.0
6	C12 H12 O9	301.05542	301.05597	0.21243547	301.05548	4012	5009	3699	3766	16924	5368	1213	1326	13845	0	0	889	32389	5576	584	1692	0	15898	16462	0	1041	1727	1531	785	0	0	0	0	0	755	0	991	2167	0	0	0	1865	1067	0	0	755	4482	0	0	0	0	0	0	0	0	3421	4694	9649	0	13715	21983	5807	0	0	0	0	0	40573	16198	5679	25130	6093	0	0	0	0	956	701	710	781	0	0	764	779	0	0	0	0	0	18557	4310	0	5435	5445	1715	0	1360	1652	1690	1088	0	3855	4409	9714	30106	32828	1724	1147	0	0	1299	13107	0	0	46118	Phytochemical	0.75	1.0	0.0
12	C12 H12 O9	301.05542	301.05588	0.30953112	301.0555	6737	6537	6758	6425	23506	13778	0	0	31135	2267	0	2289	48162	10732	1097	0	0	26500	27577	0	1242	0	3868	0	0	0	1420	0	0	0	1914	0	2180	0	1609	0	4168	1513	1927	0	0	7175	0	0	0	0	0	0	1464	1695	4792	4789	11950	0	27451	26121	9776	0	0	0	0	0	66181	35872	9343	34532	8898	0	0	0	0	0	0	1141	0	0	0	2471	3297	0	2328	0	0	0	24192	6944	2854	6579	9620	0	0	1991	0	0	0	0	4880	6800	19894	29982	23713	4108	2739	0	0	1578	15233	0	0	78973	Phytochemical	0.75	1.0	0.0
10	C12 H12 O9	301.05542	301.0559	0.26123932	301.05548	9174	6695	6985	6945	35132	17608	1208	1849	37733	1488	1828	2452	70658	12020	4197	0	2114	35222	32254	1403	1968	2962	6480	0	0	0	872	0	0	0	0	0	5012	1471	1322	0	4434	2868	1306	0	2273	10379	519	0	0	0	0	0	0	0	8529	7138	18475	0	39106	36370	9383	1570	0	0	0	0	72512	47463	10440	42793	10941	1685	0	0	0	0	0	0	2219	0	0	1850	3828	0	3453	0	0	0	32560	8498	3009	11222	12798	2297	0	1764	0	2674	0	0	7204	6254	23871	48547	38041	5167	2199	0	0	2035	25212	0	0	90884	Phytochemical	0.75	1.0	0.0
16	C12 H12 O9	301.05542	301.0559	0.34616625	301.0555	0	0	4642	0	10382	6858	0	0	10182	0	3214	2024	18610	7686	3050	0	0	9396	15318	0	0	6727	4340	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2880	824	0	964	2392	0	0	0	0	0	0	8272	0	12188	9088	3612	3350	0	0	0	0	21818	16620	5682	12994	2708	0	0	0	0	2652	0	0	0	2750	730	2758	0	0	0	0	0	0	9626	5682	0	4686	5382	0	0	0	0	1785	0	0	0	0	6274	6978	9252	0	2684	0	0	0	5644	0	0	30072	Phytochemical	0.75	1.0	0.0
14	C12 H12 O9	301.05542	301.05594	0.3392878	301.0555	3721	2880	1960	4968	13623	9206	0	0	19092	0	0	1218	26878	6146	1317	0	0	16970	14172	0	0	0	2841	0	0	0	0	0	1352	0	0	0	1419	0	0	0	0	1347	0	0	0	2816	0	0	285	0	0	431	0	0	2837	2242	8293	0	17340	12517	4784	0	0	0	0	0	27842	17362	4378	12674	5543	1285	0	0	0	0	0	0	0	0	0	0	1975	0	1168	1346	0	0	12807	3182	1280	5212	4747	0	0	0	0	0	1656	0	2329	3333	5675	16879	12763	0	1984	0	0	0	5646	0	0	31007	Phytochemical	0.75	1.0	0.0
26	C16 H12 O6	301.07068	301.07095	0.19731824	301.0707	8241	7315	6715	6198	13333	3217	1739	0	9673	8949	4979	0	17520	7246	0	5434	0	12843	17578	5078	5881	14845	7927	5994	0	0	2315	3921	0	0	2244	0	3275	2284	11100	0	3995	5998	5695	4525	5888	0	0	0	0	0	7432	0	2138	0	7325	7156	6583	0	8726	9874	4333	4242	2305	3949	5229	0	22087	8531	5358	14951	3005	5027	0	5705	4483	2584	0	0	6909	4104	0	3101	14420	10910	18496	5724	3794	3502	14603	7854	10929	6509	5402	15986	16246	9302	4561	9002	9662	0	6744	0	6949	12670	9408	5555	3132	0	0	4721	6076	0	4432	16932	Phytochemical	0.375	0.75	0.0
22	C16 H12 O6	301.07068	301.07108	0.23107356	301.07074	30483	26971	18942	27440	31605	21863	9189	9491	28480	27556	13755	10895	37430	22953	14242	17875	13222	43674	30604	16767	22098	64484	62920	72177	13472	14302	8783	15164	9495	7065	8639	7093	14140	8221	34108	8362	14109	16309	12862	14271	21793	16295	5548	0	3536	30380	19575	3046	11052	8974	25702	21465	25456	3335	29134	28214	15812	20236	8592	10892	16068	12154	41614	29709	14606	40244	18538	10695	10945	18907	21057	6969	6787	4783	7506	8232	3111	10512	53182	29290	68914	18601	7856	10529	43181	27138	51801	20691	20933	44788	219683	84005	40753	36159	34158	4255	21760	25080	26063	46194	34627	16967	11571	11194	13477	60013	24455	0	21481	44181	Phytochemical	0.375	0.75	0.0
24	C16 H12 O6	301.07068	301.07104	0.2642047	301.07074	12446	12945	14819	13644	19917	9281	3074	3307	12484	14220	5957	4762	21994	12591	3984	4844	6609	19535	20509	9407	10731	18132	15208	8646	5376	7682	3327	5509	2783	2440	2732	3056	5241	1903	20450	3539	7588	5384	5307	7034	9812	5231	5314	0	0	7962	8872	2977	3962	4079	14533	14031	11068	0	18882	13609	8587	4769	3128	4617	4631	5674	29305	12481	6055	21113	5470	6314	6666	10031	10747	1177	2578	2529	3955	4001	0	5329	20590	15803	37539	6289	2478	7353	25034	8084	18597	8809	9908	173333	52293	33764	6812	15444	18335	3817	10861	14563	13444	22152	19176	5548	7836	3844	4582	6074	15593	0	9571	27245	Phytochemical	0.375	0.75	0.0
12	C13 H16 O6 S1	301.07404	301.07455	0.32274884	301.07413	11432	12333	10224	10421	12964	9043	3621	3749	22092	22418	11992	2250	15932	6604	4823	7137	3381	18009	18898	15611	15055	16889	2994	3181	5332	7057	2063	9298	3355	1838	1708	5579	4332	2224	13811	3584	5627	2840	3529	18917	15254	4953	0	0	0	10484	9269	0	5021	3853	8625	11220	9158	0	11572	9376	5693	6788	9727	10940	0	15081	8316	21760	4902	14249	5324	4077	0	15416	12130	2633	2281	2576	2911	2933	0	1465	3813	0	2363	8184	6994	10461	11074	6622	7801	5435	6878	9469	25971	31219	5307	20765	39507	0	11461	8594	6175	11808	15674	5568	1418	10899	0	5368	12098	0	4387	20107	Organosulfur	0.46153846	1.2307693	0.0
14	C13 H16 O6 S1	301.07404	301.0745	0.25914988	301.07413	12399	10963	16485	14364	17093	17197	2976	2342	16960	32469	19799	2136	33835	10061	3496	2954	4204	25339	18164	18225	19507	31181	4455	4349	5932	7608	2535	14410	4096	1516	2490	0	5081	4556	29517	2692	4402	3442	4630	23414	24017	7280	0	0	0	10934	16085	0	3279	0	11188	13856	12857	0	11417	14991	6540	8353	15011	10406	0	20230	10739	13426	5056	11613	9529	3785	0	15789	11974	1490	2018	1535	2887	2832	0	2723	3286	18539	3349	7491	13474	16997	15819	7854	8040	9372	10842	6473	31798	50510	6037	31463	37903	0	13756	12109	12269	15696	18312	5751	2127	15477	0	4909	14592	0	3357	14260	Organosulfur	0.46153846	1.2307693	0.0
18	C13 H16 O6 S1	301.07404	301.0745	0.26562086	301.07413	5629	5430	6270	6996	10362	6986	2315	1746	5106	8868	4968	2611	22054	5074	2378	2841	0	9612	10269	5507	5456	13522	3127	2662	4668	3696	1859	6705	0	0	1527	0	3010	0	11121	0	4429	2577	3233	9902	5108	5331	294	0	0	4766	2862	0	3065	1320	2939	4448	5115	235	10030	8901	4252	5848	5520	4608	2692	8110	4636	5450	2265	6559	4362	3311	2108	4947	1998	1264	2668	0	1330	0	0	0	1980	8791	0	3646	3442	5606	6689	4368	2137	4946	4601	0	21347	28125	4237	9000	14260	0	6077	5813	7687	7981	5772	4461	2269	7324	1599	2078	8395	0	2120	10944	Organosulfur	0.46153846	1.2307693	0.0
16	C13 H16 O6 S1	301.07404	301.0745	0.27680415	301.07413	11435	13503	10785	12435	20226	13853	3861	3957	18912	32248	12162	1144	28225	6384	2893	6142	3057	29979	24178	24658	19185	28295	3151	5498	6162	6173	2880	14740	3875	2015	0	4826	7396	3566	28392	1850	4960	3525	4970	22098	13461	7117	522	0	0	11628	8308	0	3754	0	14310	6557	15625	0	13388	13666	6038	4823	15904	10068	0	22874	10796	9960	5439	16149	5668	2976	5665	10746	9040	1410	1725	0	3542	3016	0	2681	5486	14315	2576	7922	8580	10821	14872	6264	6346	7424	4711	0	44252	60035	0	23874	40450	0	10251	13434	9481	13873	14610	5961	2508	12818	5845	0	15181	0	3627	19043	Organosulfur	0.46153846	1.2307693	0.0
18	C15 H12 O5 N2	301.0819	301.08234	0.29607108	301.082	11644	8824	6755	6470	7625	4155	12153	7643	3711	13985	12128	6528	2058	5830	4581	9758	16871	7718	10761	5451	8776	21950	8050	11894	5851	5566	8907	4953	6871	4563	6945	3737	11368	6265	15187	8889	12025	8709	16372	13771	37602	8825	800	433	366	12571	14860	423	12870	6972	7757	11452	7184	571	4182	3740	5077	14274	5049	15715	10930	12991	6540	4836	4665	7847	7489	20887	4682	4072	9705	5289	4323	2789	8059	7024	311	5324	14604	21538	14265	10887	7842	7573	2554	4864	13326	10942	8379	34819	15840	21333	19733	24410	17151	654	9364	10599	3408	4140	5684	9785	5071	10345	7177	11560	3100	481	13443	5327	Unclassified	0.33333334	0.8	0.13333334
20	C15 H12 O5 N2	301.0819	301.08234	0.3204826	301.082	7805	4352	5428	4432	2560	4175	3483	5100	2945	4912	4956	5203	0	2340	2308	6549	7139	3458	3460	2027	1991	14881	4003	7971	5320	1896	4851	3408	4055	3113	2295	2500	5167	2935	5101	1414	6278	3120	11380	7447	22751	4111	999	0	384	3819	6915	662	4873	3134	3536	2452	2779	576	0	1788	2279	6102	2571	7909	6941	5950	2434	4509	3697	3224	3282	9903	1761	0	3469	2393	3072	1606	5048	3856	0	3383	7846	15598	5752	4267	4518	0	2571	3119	8188	6730	4191	15752	6315	7473	11145	17872	11985	0	3281	3580	2878	3271	2212	8375	3262	3743	3225	8516	1613	0	7675	5492	Unclassified	0.33333334	0.8	0.13333334
20	C12 H16 O5 N2 S1	301.08527	301.08566	0.13019314	301.0853	1662	0	2123	0	0	0	4230	6577	0	0	0	3375	0	0	4604	3591	0	0	0	0	0	0	2689	0	2041	0	3126	0	12976	7988	8240	12672	3883	14574	0	12241	3476	3581	0	0	0	0	0	0	0	0	0	0	7171	5049	0	1713	0	0	0	0	0	2482	0	0	2389	0	0	0	0	0	0	1222	0	0	0	8178	13983	10323	2612	22961	0	4674	0	0	0	0	0	0	0	0	0	1334	1298	0	0	0	0	0	0	0	1603	2346	0	0	0	4946	3954	0	0	7195	0	0	0	0	Peptide	0.41666666	1.3333334	0.16666667
12	C12 H16 O5 N2 S1	301.08527	301.08572	0.21558951	301.08533	9898	12144	12154	8876	4928	9160	9404	9256	3712	0	3966	10256	4154	2090	6444	10114	10204	11636	9100	4812	4110	16880	5702	19556	13404	0	6846	0	12740	9554	8496	12750	16484	11246	6536	12212	16562	4958	13890	9150	12174	5708	0	0	0	7986	0	0	10954	6752	8524	8864	5642	0	4160	2420	3366	15540	9564	0	0	0	3482	3570	4630	6100	5728	9626	0	0	0	13053	11947	11537	11449	9212	0	7418	5538	0	7534	10356	8590	4082	2994	2644	10126	10366	12193	11820	14250	22522	17788	6068	5238	0	9566	5976	3618	4684	0	16406	10192	10568	0	17254	8140	0	11338	7806	Peptide	0.41666666	1.3333334	0.16666667
14	C12 H16 O5 N2 S1	301.08527	301.0856	0.16819485	301.08533	3425	4491	3904	1795	1748	0	2661	1833	1287	2986	0	1547	2934	0	0	6625	2521	4100	0	0	0	7551	1555	8878	2609	0	2035	0	2418	3003	2883	0	5594	2950	2116	0	3162	3152	2989	0	0	2777	0	0	0	2099	0	0	3198	0	2633	4663	2147	0	0	0	1528	6250	0	0	0	0	0	0	0	1874	0	2697	0	0	0	1835	1564	0	2189	1110	0	1759	2335	0	0	1667	2003	963	0	0	4244	2325	2316	27626	4927	6144	18777	0	1585	0	3351	0	0	0	1191	3363	1681	2817	0	6902	1181	0	5068	0	Peptide	0.41666666	1.3333334	0.16666667
8	C11 H16 O4 N4 S1	301.0965	301.09692	0.050468445	301.09653	2362	2779	2510	4099	0	1216	1614	4672	0	0	0	4068	0	0	5328	8063	4152	0	0	0	0	4748	9210	5118	6338	0	1969	0	1726	1872	1805	2260	2583	1866	0	1940	2054	5648	5376	0	0	4935	0	0	0	0	0	0	3459	4060	2758	3259	2397	0	0	0	1532	10039	0	0	9615	0	0	0	0	1101	3614	5754	0	0	0	3080	1770	938	1544	2060	0	3569	22478	0	9627	0	0	0	0	0	26909	4658	3840	23096	0	0	14674	0	0	0	2898	3110	0	0	0	2093	2352	0	0	6923	0	0	10953	976	Peptide	0.36363637	1.4545455	0.36363637
0	C12 H16 O7 N2	301.10303	301.10364	0.12018221	301.10306	5722	3970	4367	4065	6932	0	0	5461	3277	0	0	2150	9534	0	0	0	0	10335	8449	0	3364	4418	2205	5453	0	0	0	0	6170	0	5425	7346	8439	4451	3217	3835	7270	1152	1115	1879	0	5255	0	0	0	2070	0	0	6292	3558	5244	4016	6766	0	5015	2308	0	10029	894	0	0	0	11623	5934	2745	6856	9270	1499	0	0	0	4067	8322	4920	0	5903	0	2021	0	0	0	0	0	0	1161	0	0	6418	9224	0	4169	2733	7662	0	0	0	3381	3386	1644	1509	1290	4851	0	3218	0	10075	1223	0	0	21921	Peptide	0.5833333	1.3333334	0.16666667
10	C12 H16 O7 N2	301.10303	301.10355	0.29196456	301.10312	20425	17298	15091	17570	14440	16825	10198	18746	21533	6172	7102	15471	23539	6459	17398	22726	20953	27884	27844	4984	7971	17043	20122	18480	8952	0	10952	4348	16889	13224	15671	17414	22801	16720	9590	16979	27810	15854	26998	7655	11394	20197	0	0	0	4582	6072	0	19874	13626	16567	16041	17884	0	29775	13081	13189	20443	11637	9784	19998	6824	22074	21835	12384	22017	16029	27683	0	0	0	14464	13638	12958	21451	13058	0	16234	14751	0	10216	5317	5329	1954	14343	11083	15751	21330	22849	29463	0	17513	38091	5034	4386	0	15337	14393	11883	8663	10489	28286	13240	10539	0	23826	14655	0	10023	30160	Peptide	0.5833333	1.3333334	0.16666667
8	C12 H16 O7 N2	301.10303	301.10355	0.23972443	301.1031	28056	27948	24592	26128	26429	22835	13799	25676	44635	11514	15782	26390	40866	14596	24691	26957	33891	47807	49624	14998	17487	27418	27358	29519	12655	0	13565	8579	25957	17821	23194	21467	34762	24203	16512	20549	34541	23264	41864	9733	16809	31224	775	0	0	9657	18193	0	23907	22665	25422	25268	35770	0	54867	22270	23700	24847	18182	20605	34129	8039	49862	44426	20253	61431	33097	35686	0	3461	6332	22368	19904	17623	23659	18872	0	19391	20694	8321	13804	5452	7844	2769	25246	18201	19386	36936	38149	43448	11495	20639	54862	10292	7394	0	24552	26947	22029	20254	21729	34929	22210	18133	0	36690	27089	0	10944	69344	Peptide	0.5833333	1.3333334	0.16666667
8	C17 H16 O5	301.10706	301.10757	0.19667932	301.10712	60549	62583	39223	61801	33153	23537	39097	58458	47721	67971	50769	37341	36371	22578	43560	57966	54270	38225	52660	78107	74594	69613	53872	69712	31607	70376	38264	41874	45167	51923	45737	55992	53072	38003	75335	49950	46395	40344	63696	64718	68795	36163	6665	3993	6770	59611	68741	6179	57424	53147	53781	55572	31496	5349	49488	35600	34292	56086	45916	59233	63571	37956	44695	40060	29428	36576	32388	60264	78796	84879	119776	48970	47988	44030	35769	60701	5483	35389	64603	28953	59654	49913	44674	44663	46243	24518	55209	32401	36253	71628	33968	46606	72513	42924	53921	6992	56199	57217	47164	42600	44406	49747	44725	60823	31193	44961	33351	4399	43696	39543	Phytochemical	0.29411766	0.9411765	0.0
16	C14 H20 O5 S1	301.1104	301.11087	0.22298716	301.11047	399184	450761	398509	409844	414375	300511	239936	309691	395517	713165	528323	225281	461598	260552	283113	366556	280926	544550	553530	791337	753254	539540	338745	395052	282755	1015282	225304	442943	271949	242663	276345	309688	377372	236231	829923	261335	364985	240576	306693	617317	585478	275074	18795	7932	11432	355479	382771	11235	340433	265394	441374	464917	340868	9517	386603	322867	249321	405745	282829	288372	381705	373866	457939	323904	202004	454411	340393	292807	858458	1079631	1223396	272622	257117	226602	238918	292875	11923	207527	425768	411862	291733	312784	275047	463696	415064	263700	412011	308006	313075	411640	423856	469417	500452	398193	568560	16090	411808	409306	328212	357626	364754	359387	225509	344711	224178	339220	316203	8028	294527	469791	Organosulfur	0.35714287	1.4285715	0.0
18	C14 H20 O5 S1	301.1104	301.11084	0.15408032	301.11047	418404	456437	394823	378452	415778	292089	210874	299047	350885	792963	555440	194631	510910	283441	267617	359128	224650	575115	588962	782382	741294	537626	299864	356948	248284	908816	205214	502348	265951	224304	252524	254712	395875	279629	807113	252220	379332	229899	256298	589367	596636	290973	23567	9920	11260	372427	330990	11775	292625	232989	405132	413362	352570	12694	425083	310231	251329	391818	256658	244923	330261	417690	476043	339353	213407	479737	321857	256831	796197	973469	1164699	252222	195582	201641	205967	265674	10254	186535	390374	425895	306726	297184	230250	423653	398292	285838	396849	308532	342064	367831	471555	474920	420128	439247	616860	18274	418454	394907	334080	340910	359572	321541	208180	332440	209099	280347	278209	10582	262756	440983	Organosulfur	0.35714287	1.4285715	0.0
20	C16 H16 O4 N2	301.1183	301.1187	0.2559023	301.11835	13390	13438	10713	8519	15755	6587	12719	10983	7019	6924	12266	10836	8780	9209	13593	18079	19299	5631	12873	5616	9106	15485	13612	17439	9361	9616	17177	6593	9692	13783	14289	12296	20638	10122	9910	10063	19825	8208	22220	9095	25693	7366	1627	956	282	10337	13235	0	16710	12374	13916	12134	14549	871	10040	7828	7693	21822	7569	13969	13853	9713	7836	6628	7041	12727	6737	30499	12579	13181	24033	11314	10304	8360	13552	14910	442	9795	14756	19576	14686	7097	7256	9105	10839	9069	19438	13998	10355	40183	15331	8694	23593	12547	10137	1015	10824	11958	7030	13234	9969	28297	11074	9928	3791	18066	10226	0	16382	13141	Phytochemical	0.25	1.0	0.125
18	C16 H16 O4 N2	301.1183	301.1187	0.25267616	301.11835	29906	30457	27010	29041	19490	14805	25292	24207	11384	32420	31561	18520	16879	23400	17497	37813	43765	21170	22371	22561	33294	37871	16846	32533	17494	29028	26655	24303	24950	23721	25107	25435	36672	31357	19943	27362	30713	17511	47676	30010	51951	24265	1045	994	534	19260	33125	742	29700	20843	27155	24076	19082	476	13279	9638	12784	30659	13442	21882	34675	18068	13360	12821	11574	14602	19467	50060	34651	35509	61181	20536	14026	14305	30422	19067	497	18238	40198	45614	29290	17768	18196	21665	9580	13206	51126	29703	24216	71222	33172	31529	63041	31899	27718	713	26172	26901	12032	12071	12537	32153	15441	22783	10035	33214	12147	611	31469	13787	Phytochemical	0.25	1.0	0.125
10	C16 H16 O4 N2	301.1183	301.11877	0.20148118	301.11835	62708	59278	59195	53504	37474	31828	51838	51201	32010	99860	74480	33254	35616	42400	33039	54672	72866	37634	54374	91499	104785	73940	39298	71063	47096	132559	57493	66504	35427	33716	39583	44115	69565	43231	94409	41724	80255	33959	87321	93212	128353	31898	980	0	396	57824	90281	0	52210	37997	63589	69369	44745	0	29296	24209	24246	57740	20894	45080	59763	51948	33604	30117	25993	37146	42995	102077	118730	159019	204248	41570	31777	26111	38699	38417	0	30610	62855	68137	56911	37584	28939	59518	30306	26710	58612	54819	37208	111742	52603	46588	97355	73271	106243	575	52185	66425	25508	33432	31349	61105	30013	44663	27855	54165	23980	0	48130	40114	Phytochemical	0.25	1.0	0.125
4	C16 H16 O4 N2	301.1183	301.11887	0.22676612	301.11835	16823	18107	15598	15348	13170	10257	8885	15678	13203	29533	21260	10330	13131	14254	13702	18509	21369	15036	18413	31339	38509	20513	15405	23810	13429	59453	12253	22086	10903	10794	11775	12636	16922	9612	34490	14968	18416	11589	24787	23424	33409	11870	0	287	0	21435	40477	366	15700	14049	17271	13516	14098	279	14519	11034	8257	16297	3692	9824	17074	15957	14202	11722	8168	13108	11614	20474	47754	52846	75768	11903	10139	10046	10848	9970	0	9684	23838	19517	17519	13839	6422	16606	14730	10973	19977	13191	12475	26704	18895	11101	33502	19987	29071	541	16736	18819	12303	12150	12354	18365	9129	14369	17399	16597	12499	0	16042	14839	Phytochemical	0.25	1.0	0.125
24	C18 H20 O2 S1	301.12567	301.12607	0.467139	301.12582	2044	1633	0	2355	850	1072	0	0	0	2550	7973	0	0	865	0	0	0	0	0	8425	5883	4233	0	0	0	26425	0	7940	0	0	0	0	0	0	4908	0	0	0	1418	7556	11445	0	0	0	0	2561	5416	0	0	0	1956	1824	1180	0	0	0	0	0	1378	4102	0	8308	1775	0	0	0	1607	1541	14648	11644	17035	0	0	0	0	0	0	0	0	7925	961	3006	1239	6489	0	0	1061	0	913	0	4267	4460	0	8463	10769	0	3205	3079	2016	1597	0	0	0	2908	1683	0	0	0	1007	0	Organosulfur	0.11111111	1.1111112	0.0
22	C14 H20 O7	301.12817	301.1286	0.28783897	301.12827	14961	9263	8005	9170	7511	6362	7532	13409	11998	7405	5788	6309	10797	6468	8849	6713	4925	17453	9476	9161	6393	7822	7873	9447	8170	3771	7291	4175	12704	9645	11253	13417	17608	10152	10704	11435	11796	8144	10149	7158	4347	9901	0	0	3162	7297	4262	2719	10192	10386	8283	8556	9293	2432	25483	11034	8929	10319	10810	3253	7176	4511	14456	10689	4917	12604	12530	8700	3306	5115	2831	8691	9931	8741	6312	9810	2700	9150	9371	0	7684	3856	10101	6861	8381	7530	9542	8549	7216	4256	10400	7327	11008	3688	6457	0	6012	9857	5588	10309	7874	11652	10160	6659	3662	9331	6360	0	7424	18059	Lipid	0.5	1.4285715	0.0
14	C14 H20 O7	301.12817	301.12863	0.1666537	301.12823	322466	307683	302546	315385	493249	459531	237516	263280	732532	262920	163508	150544	998778	292042	277966	247880	167759	944124	765480	387019	343288	232478	232355	164548	227952	87771	177880	210500	415845	303162	240975	335044	523408	293144	400992	339428	460475	207906	179562	228110	109347	361282	14538	2663	3064	169806	104538	3808	289733	185691	293406	271810	496136	3897	1228155	544049	236207	322162	304172	103513	304970	149990	640496	694693	218745	599478	417899	147413	77115	162225	99932	233949	271619	325204	164269	269731	1691	223556	183827	146926	145617	117529	190664	122979	397249	309357	225591	246336	365784	122479	307736	314619	217564	126413	187912	5415	312889	364262	401664	519579	544372	447552	194939	307726	110975	179913	449774	3614	132812	795491	Lipid	0.5	1.4285715	0.0
12	C14 H20 O7	301.12817	301.12863	0.13224286	301.1282	265304	300610	311262	315685	422157	336945	248404	287856	499388	248094	181681	161679	537586	219863	247307	362703	224269	694085	693054	317439	292806	245783	252629	280427	194057	84865	209154	192485	400805	236135	251927	301453	490951	313682	342446	274325	406977	199300	243667	186528	126879	298443	10384	2267	3033	173013	134136	2774	309687	207842	304779	294341	424889	2875	868115	396894	225518	348961	256888	143731	384807	130435	540409	539793	183174	531074	341291	199151	90450	160148	116675	217031	261967	251638	219368	525752	1785	224283	222474	136960	162872	132519	220010	116678	342205	273272	278107	230806	335405	198706	244422	322942	266201	142803	180972	5780	309513	346079	335818	389156	405619	434052	188775	271395	107851	233682	420889	2677	153610	689218	Lipid	0.5	1.4285715	0.0
4	C14 H20 O7	301.12817	301.12878	0.14885257	301.12823	12397	14115	21482	22944	8871	18712	17264	30422	26806	6592	6342	20476	29184	6990	21034	23658	32566	32184	33352	8281	6713	14584	24042	30708	7658	2510	11992	4250	13233	24536	27380	27628	14740	9117	9665	26364	15618	19244	18653	5539	15722	24148	1307	1012	1685	10292	23470	1284	12917	24386	25784	11758	21980	1294	18509	26804	19716	24544	23616	23608	35020	5035	31952	25220	9019	12795	19936	34962	5927	2691	0	10483	23416	29904	6721	24548	858	20832	25122	0	12731	14438	10216	5146	30262	20384	24200	8487	23990	14981	6277	16994	35860	6747	6114	3954	20178	29852	23640	36132	20659	32522	21564	24460	7660	13840	31132	1355	15526	28674	Lipid	0.5	1.4285715	0.0
12	C13 H20 O6 N2	301.1394	301.13992	0.2881458	301.1395	22418	21193	25243	25881	14356	17321	20904	30425	17681	12869	11068	15751	18907	10686	21584	29466	30223	28019	29758	14310	12180	32644	20570	30740	26550	1332	19689	71461	30135	18973	20526	25603	36575	28956	10071	22838	30123	20843	27815	16093	9271	18584	599	0	0	21256	13330	0	27033	19438	21142	17170	17436	363	26693	8467	11900	37694	18589	14368	30258	9874	15817	19299	9338	21894	15204	29052	0	4714	3872	23671	21539	22891	14140	23593	0	18148	23356	20220	14292	13269	15212	4648	13136	12880	25122	18051	19026	39548	40519	50992	62680	9068	13440	0	28856	25105	13787	7246	11249	33977	16938	21948	0	32344	16207	0	22684	32303	Peptide	0.46153846	1.5384616	0.15384616
16	C13 H20 O6 N2	301.1394	301.1399	0.4306842	301.13956	5553	4768	2745	7014	2328	3642	2467	8914	0	6081	9133	4471	2644	4581	6944	6138	6314	6225	3414	2356	0	3046	5524	9450	5316	1335	2672	157130	9615	6323	12021	9353	8462	10866	2350	8635	7497	3094	7033	0	0	2597	0	0	432	2384	0	0	6150	8039	4585	6530	3211	464	0	0	1697	9220	1813	0	11074	1146	0	2464	1402	3048	3656	4970	0	2026	0	6669	7168	7808	2256	6788	0	3923	3346	7302	2917	2290	0	0	2468	1429	5197	2614	2123	0	16049	15606	0	2138	0	0	4856	7824	1293	2663	0	10643	3786	0	0	0	1179	627	5433	2788	Peptide	0.46153846	1.5384616	0.15384616
20	C13 H20 O6 N2	301.1394	301.1398	0.49400422	301.13956	0	1769	0	0	0	1535	0	1707	0	0	2574	981	0	0	1346	0	0	0	0	0	0	0	0	0	1414	0	1555	115157	0	0	0	1928	1815	1878	0	1713	0	0	2180	0	0	0	501	0	561	0	0	717	1862	0	0	0	0	584	0	0	0	1942	0	0	0	0	0	0	0	0	1321	0	0	0	0	1713	1200	0	0	0	0	0	0	5297	1506	0	0	0	0	0	1503	1678	0	1457	7256	6095	2726	0	0	523	1776	2819	0	0	0	1899	0	0	0	1883	0	1043	0	1295	Peptide	0.46153846	1.5384616	0.15384616
10	C13 H20 O6 N2	301.1394	301.1399	0.2105139	301.13947	59026	55148	57785	46077	38552	45012	48991	69740	46058	28759	21426	45010	58719	21385	62842	84882	61485	70927	63440	36834	32123	68344	59926	76728	54706	4455	44718	23473	67496	59053	56340	66541	81838	59424	40809	64914	91101	50289	57215	30205	29745	39501	1037	0	0	45779	34111	0	65456	60448	54465	49129	42054	486	73935	24881	25054	89126	52915	37325	93080	18415	39785	52051	28780	54762	39507	62688	9262	14926	9536	68171	58668	63374	43795	57898	0	44316	50595	30123	35536	26748	34262	11448	32428	35128	57919	45686	49113	91121	78991	85359	118749	26197	33568	694	52370	61297	22923	21694	20073	81411	46524	53410	20997	78438	35812	0	48745	82480	Peptide	0.46153846	1.5384616	0.15384616
0	C13 H20 O6 N2	301.1394	301.14	0.027799333	301.13943	19468	19556	25202	19772	30497	37647	6008	32403	26011	9339	2979	12099	45108	11130	9855	4361	12492	62830	44838	13490	20702	33463	16886	28965	11977	0	0	3870	44758	11841	29809	27032	59920	41862	19470	29227	43751	8766	19735	13863	4193	41637	0	0	0	14048	3097	0	35903	14095	22931	19508	40928	0	32559	15020	8010	44333	11286	5245	16028	2349	52528	34459	19935	40971	46486	23401	822	5105	0	31921	37490	23610	0	29307	0	12572	7821	2563	5419	3189	4813	0	13205	10810	9196	30516	42058	17654	19219	22349	45328	3076	2217	0	20624	22261	11348	12925	13847	30794	8555	19245	3211	46741	19409	0	6420	84856	Peptide	0.46153846	1.5384616	0.15384616
22	C18 H20 O4	301.14343	301.1438	0.18354662	301.1435	594158	628243	516265	587070	562148	471406	291763	528564	469120	931469	781080	350794	513180	494924	395960	553713	455028	710349	567894	1153548	1193446	669355	416367	571489	404438	1275500	295509	794857	568375	466829	474011	519172	615219	537675	972558	528467	685878	359824	441596	808575	788189	432256	79939	31021	33445	475404	438593	61513	537330	454923	565624	587960	518972	45453	484595	432332	360262	569909	401086	369350	570109	559384	515715	437614	266821	646077	572867	437821	996333	1345165	1392674	497827	432503	418578	323041	510279	17385	349843	483128	454974	424787	342611	377096	568076	483427	381804	505390	510373	505142	541131	596995	621936	661800	521734	685575	65299	521921	589019	426250	513675	454551	630515	374288	601425	343346	527990	429099	38736	413373	561594	Phytochemical	0.22222222	1.1111112	0.0
18	C18 H20 O4	301.14343	301.14383	0.1698846	301.1435	991409	1023782	914882	884262	734091	600381	667418	959632	578259	1162874	920870	601592	767075	545784	673345	1048238	945477	900502	1069303	1596468	1482743	973843	767666	1009029	593385	2206834	633431	903118	870451	830235	800540	920058	1053019	909165	1099155	853480	1021925	639292	983836	1119670	1309352	669308	36216	12997	13573	706479	753421	16847	974532	812445	973645	960851	672838	15319	740288	599481	523927	1089116	603633	734457	990310	769491	788432	627887	432034	835194	718341	1033736	1801563	2150279	2773427	788584	697852	770384	856102	946446	10739	578761	898022	718813	783723	604894	647778	846417	766241	576012	868605	732876	735321	1000281	927470	920326	1181217	657274	979831	24961	971721	906482	613821	705896	760521	997827	590096	947783	409201	769408	500852	12790	719102	705817	Phytochemical	0.22222222	1.1111112	0.0
14	C18 H20 O4	301.14343	301.1439	0.16154745	301.1435	533435	531374	480466	488759	340010	230350	440414	559555	316013	440395	366796	382639	298352	207788	406136	574792	608186	349411	399594	603066	603063	500407	415128	540757	388690	954638	457067	345938	418560	499778	435418	548854	540865	372055	493898	476833	454301	385524	682466	503846	607572	299584	21163	10397	10509	422677	487679	14403	556845	486042	468992	467247	326265	9621	350165	300988	273035	619422	384823	525791	549239	287963	348774	312313	234254	326077	296551	666956	709761	937208	1157833	396135	424785	473067	521055	513955	9315	356460	562503	353802	503246	366443	454037	403800	384499	266084	549907	326637	371189	762692	462792	394899	638670	304629	409601	17112	477400	454099	310401	413416	420998	481997	410629	516851	275810	453835	285975	11033	450884	300116	Phytochemical	0.22222222	1.1111112	0.0
16	C18 H20 O4	301.14343	301.14386	0.15013899	301.1435	743524	834300	720885	743442	633244	417786	647225	790285	528200	786049	630342	556366	544990	373137	601846	881393	935025	654670	814467	1119213	1060732	741194	632194	848615	534643	1652554	623191	544851	668735	690706	706182	796056	846053	607837	836212	722722	750849	554138	994413	817970	1018987	505472	28179	13163	13035	576975	694133	17329	877519	751376	802348	784345	569213	13835	547915	475569	450107	933138	494750	713352	795245	505396	594410	473342	337456	612353	541175	887071	1415934	1720746	2070750	670450	702529	689286	800585	797881	12132	492879	804877	562984	662453	533774	655683	708888	643133	426494	787579	554427	596934	1104545	678922	633204	963483	517354	698868	21238	745852	795517	456503	578461	641290	834830	489172	719130	337148	710548	506020	12858	693910	602812	Phytochemical	0.22222222	1.1111112	0.0
20	C18 H20 O4	301.14343	301.14383	0.17174014	301.1435	902259	991212	880622	788871	804185	635111	511328	813074	650420	1371065	1049027	542310	810160	627603	641648	906112	713880	894347	1018335	1720172	1731367	983362	630927	904301	571971	2276378	509983	1003562	824432	730435	633542	779611	988196	789555	1430693	730002	1011000	521044	737546	1216776	1385601	672980	45508	21263	16691	691563	750367	24842	796135	638177	907144	899590	707481	19220	650186	605967	509173	898065	591889	624394	837557	829213	732982	612102	405002	829678	701656	789050	1774780	2140057	2574436	722042	741543	669502	706029	802334	12113	525718	762527	794257	593184	484859	632638	918751	672157	513515	772033	727323	707067	915396	923363	874387	1102774	808601	895326	35064	863161	936336	647218	685409	745275	956037	567048	982950	502278	808521	576993	21651	621169	863644	Phytochemical	0.22222222	1.1111112	0.0
10	C18 H20 O4	301.14343	301.1439	0.11054969	301.14346	124127	110739	94337	96817	57290	50768	104401	149039	72815	91993	73573	98056	59240	44465	88528	153558	136015	70152	88786	117689	118592	131980	92247	145277	88563	134142	104128	67696	108471	123024	110018	111775	122140	90464	110334	123848	113012	91312	153912	108553	121936	64182	14896	9433	11695	110374	110710	13588	124148	126885	107579	107284	60561	9876	85973	67607	57564	141511	95416	119804	138768	62829	68589	65018	50644	59951	53247	147447	122092	135673	160780	91872	91010	117305	132794	120830	10336	82326	139138	77187	131851	97482	115190	70294	91767	63492	121492	58619	66992	151309	105965	97251	139620	80966	102561	13100	111516	120135	65736	88132	81398	114384	93621	129079	71737	111251	60988	10127	112132	61972	Phytochemical	0.22222222	1.1111112	0.0
4	C12 H20 O5 N4	301.15063	301.1512	0.20722924	301.1507	3087	3006	3028	3131	1414	1357	1687	2273	2946	0	1594	3181	1567	1659	3017	3959	17958	1642	2290	0	948	2631	4715	2742	1352	0	1964	0	1842	1592	2416	1510	4489	1036	778	1515	3968	4902	18389	0	0	2455	0	0	0	0	0	0	0	2458	1948	2671	1845	0	2697	1595	1850	2717	966	836	2355	0	1767	1964	5026	1969	1685	20960	0	0	0	1378	1901	1641	4180	1229	0	1951	3261	0	2526	489	728	364	2274	2403	4167	4395	1720	9268	4307	3005	8135	1216	0	0	1718	2264	2332	2379	1809	4726	3433	0	0	3841	2948	0	2179	1560	Peptide	0.41666666	1.6666666	0.33333334
2	C12 H20 O5 N4	301.15063	301.15125	0.14994417	301.1507	17534	12998	13372	11574	5510	0	7128	14140	9786	2332	6010	12623	9464	6253	12460	3894	22457	9568	13777	2223	3310	14538	13535	15246	7357	0	1702	15005	15217	8140	12515	13425	20028	10105	5314	12054	14548	13218	28197	1534	1802	9377	0	0	0	3255	1580	0	14348	8081	13585	16617	7410	0	10794	5968	8306	19726	2437	2444	6909	1146	10654	7916	11839	10548	12891	27050	0	1010	0	13138	14425	10964	3263	10048	0	8333	10985	19445	9728	0	1545	0	7936	8170	13520	11901	11594	45178	21554	10428	41865	6839	797	0	12778	15246	5778	6648	6988	12932	10489	3142	1359	22620	6247	0	11349	13023	Peptide	0.41666666	1.6666666	0.33333334
4	C17 H20 O3 N2	301.15466	301.15524	0.11106958	301.1547	20590	23535	22652	18410	4969	9739	12871	33022	5218	41507	21720	18987	4328	7676	18954	33025	33294	9874	13263	42188	48321	30804	19072	34204	18275	45643	16243	27490	24513	21911	21775	24060	28314	23710	46540	27782	27381	15865	34987	34480	34426	12589	0	0	0	23174	35854	0	26331	30772	23684	18865	9965	0	5669	3054	6378	25748	3901	14267	28549	20829	5324	4598	5386	7025	11140	32055	26843	44109	54259	23006	22990	27816	29518	21639	0	16871	20653	27039	19655	9638	10557	24262	4405	6465	17964	13908	12214	34246	36796	14779	42661	26282	53991	0	21033	26219	4127	2644	2821	26411	17184	32022	15409	23554	3413	0	20926	4630	Phytochemical	0.1764706	1.1764706	0.11764706
16	C17 H20 O3 N2	301.15466	301.1551	0.1893021	301.15472	32910	28336	28356	31912	24218	16870	29454	33580	9658	32322	28744	20602	10150	14646	13558	43060	53932	15432	14232	54402	51102	38848	22846	50030	27330	56824	24294	34056	28856	27060	23736	31248	37410	31038	34042	27552	46144	14790	65382	63996	73002	18238	0	0	0	27734	42890	0	40840	37138	36416	38762	18958	0	11790	3232	9300	41904	13312	32790	43150	27020	12992	9882	9720	23772	16844	48492	50618	63954	99744	31680	23896	22306	33612	28108	0	14870	30250	34478	21392	23940	18656	33596	8604	10976	37748	27694	18294	68346	37362	40760	0	29854	51688	0	38686	28296	4752	7118	11173	42934	18884	26658	12704	35790	10336	0	29898	8898	Phytochemical	0.1764706	1.1764706	0.11764706
10	C17 H20 O3 N2	301.15466	301.15512	0.10711224	301.1547	26778	27373	24017	23434	9091	10829	14813	25759	7125	53383	36509	15354	5256	8338	13293	33891	29173	11343	15250	57013	68561	27654	15629	39644	20407	64995	22725	53208	26330	22619	21688	30395	37461	26212	48086	20283	37698	11816	37096	44814	50821	14328	0	0	0	27958	35104	0	26110	19672	28235	26489	13446	0	6726	4176	8099	26552	2636	19308	27120	19248	4462	7356	6180	11125	10904	37771	51315	64157	80956	21070	16979	17922	24808	22357	0	15343	22194	113067	17728	8397	7691	30437	5414	5386	23975	24553	19460	56036	83902	26020	47087	41225	59630	0	27202	34632	6324	3595	3473	36750	14573	19746	0	28240	5324	0	21968	5756	Phytochemical	0.1764706	1.1764706	0.11764706
18	C17 H20 O3 N2	301.15466	301.1551	0.2078065	301.15472	10750	9913	7804	10199	6120	3443	10182	10849	5116	10670	12307	5376	2357	3527	3151	17390	16724	4094	6355	12007	14825	15470	11415	12388	5189	17479	7675	16626	6328	7747	9196	12879	11017	8131	8138	10309	12145	3478	17536	13084	26823	6482	708	0	0	6228	10149	0	12931	7387	12546	10059	4967	0	3482	2168	2241	12146	3710	13006	10815	5710	0	3669	2588	5539	5378	20698	14937	15889	31255	7507	6990	5497	13312	5957	0	6534	9247	14772	6628	6957	5258	12430	2536	2674	9429	8241	7087	23566	13365	16343	21795	12451	12733	0	10437	8448	3248	0	1774	9971	5725	11230	2276	13634	2493	0	11740	3485	Phytochemical	0.1764706	1.1764706	0.11764706
2	C17 H20 O3 N2	301.15466	301.15527	0.18694617	301.15472	20089	18235	15758	14884	3790	0	14711	28269	3045	26803	17060	15111	3037	4940	16842	16810	22604	6285	9988	28593	36860	18497	15604	22325	12837	21464	9631	16363	23586	18350	18978	22751	22803	20116	31087	24253	23177	14070	27311	25411	28151	7411	187	0	0	12719	22613	0	26331	21491	14167	18087	6113	0	4099	2219	3830	19947	3353	7926	15393	13655	2892	3812	4519	6201	9199	26543	17723	26954	34401	19899	23769	24261	20951	21027	0	14856	18446	21027	15840	10434	8184	18720	1828	4473	13367	8461	8436	30948	17262	10899	28394	20015	18258	0	18307	20385	2634	1657	2276	20922	13036	22287	10872	18648	2133	0	15631	3380	Phytochemical	0.1764706	1.1764706	0.11764706
8	C17 H20 O3 N2	301.15466	301.15515	0.08803783	301.1547	32352	31490	26927	32191	7505	12276	14335	31899	7624	65897	44519	17609	5164	9772	18050	39980	32514	11646	16107	85775	84362	37312	20754	42054	22169	71891	20592	56607	25443	24838	23710	34083	37416	29060	75260	27651	40371	17439	38662	51528	45783	13634	536	0	0	28800	45047	0	38944	28291	29848	29779	13147	0	9046	4648	7266	30785	2459	12688	33829	24838	9570	8685	6011	11261	17779	39275	51290	86619	91378	31471	26817	18837	29194	26048	0	18696	22916	48435	20441	7023	5557	42996	5888	5544	23257	22140	14637	52821	46409	19230	55395	45593	77810	0	34753	31398	7195	3446	6193	32424	15554	31132	9644	32945	6094	0	21338	6668	Phytochemical	0.1764706	1.1764706	0.11764706
20	C17 H20 O3 N2	301.15466	301.15506	0.17949386	301.15472	9178	6283	6691	6950	7901	3975	5326	6071	1347	9655	5991	3802	8062	5575	3455	11289	8147	3593	4258	6132	5117	10136	4175	11338	6288	8892	3645	10724	2789	4369	5237	6580	8053	6830	5345	5242	9500	2858	11269	8384	10980	7144	0	0	0	2939	3308	0	7632	7100	6280	6654	6724	0	0	2760	3889	7710	2150	9652	6410	2887	2975	2286	1785	4142	3535	14016	7044	7603	13319	6694	5166	3903	7113	3011	342	2109	7966	8314	4881	2892	3569	0	2079	3031	8217	5690	5727	20598	11294	9213	18632	7087	4326	0	5382	5635	3056	4302	6196	11558	5083	4624	2220	9975	3000	0	7302	4488	Phytochemical	0.1764706	1.1764706	0.11764706
14	C17 H20 O3 N2	301.15466	301.15512	0.15349461	301.15472	22872	25877	23829	23356	7298	10050	17014	23552	4751	32623	20500	14285	2520	5704	24836	33608	33811	8731	8244	36941	39549	38112	16721	38752	28564	38296	19328	23378	23187	24748	22704	31783	35638	21688	34722	26212	27004	16534	36935	34241	45876	14444	0	400	0	23444	21919	0	32255	18533	22870	17638	12945	0	5230	4483	7682	36098	15218	21796	21209	15567	5191	4609	6410	8976	12514	31857	25737	40411	57700	25558	19615	15863	24113	22871	0	16477	21131	23376	19185	15605	21176	20742	4136	4354	26544	16829	13487	66008	38063	22828	65549	30372	35427	0	23455	24210	4233	3815	4166	30425	17513	33167	0	35089	4219	0	26485	7922	Phytochemical	0.1764706	1.1764706	0.11764706
12	C17 H20 O3 N2	301.15466	301.15512	0.1387496	301.15472	25007	27062	22506	21754	12689	13189	15945	29025	8170	36350	26152	15851	3387	9352	14691	35433	29469	13042	16508	46280	55491	23786	16830	35639	20623	61389	14909	22176	22808	19326	22829	21555	34772	23026	38124	19778	29450	12006	35903	36623	49155	18314	350	0	0	32524	37764	0	24996	19958	28591	21703	15917	0	8962	3772	7061	33576	0	16981	23119	16330	5101	9061	5633	9618	17538	37142	28482	58028	77241	21536	18458	13852	22301	20295	0	13630	22965	29922	19272	11794	8848	29380	4123	6953	25848	18048	16250	63056	48922	19201	55809	27500	41212	0	27954	28823	8134	4486	3219	30836	14418	17684	0	30971	5734	0	26806	7898	Phytochemical	0.1764706	1.1764706	0.11764706
22	C17 H20 O3 N2	301.15466	301.15506	0.16164075	301.15472	18818	20776	17689	17377	2279	7327	51353	40106	2299	4906	5262	22055	0	0	15246	53075	88513	8010	6722	0	2607	7734	13105	60669	24120	2497	55823	6783	41674	28479	26658	44114	100623	37655	0	50873	76116	16254	92455	2760	7432	20990	0	0	0	4732	2729	0	49804	34493	19919	17262	6634	0	2599	1405	5150	40380	2197	3910	48097	0	2235	2597	6376	4986	12966	149371	2228	0	5502	27043	28623	21219	68285	38711	0	19143	15043	3012	20030	3076	1563	2122	3617	6944	17330	29324	21832	35961	4331	3289	27441	4595	3204	0	16090	15230	2633	0	3391	105626	25148	3816	2002	91689	3403	0	32326	2150	Phytochemical	0.1764706	1.1764706	0.11764706
6	C17 H20 O3 N2	301.15466	301.15518	0.1346637	301.15472	35101	37758	36448	39222	10349	18044	30690	44089	7461	81430	43902	23632	6982	10830	20516	49121	34234	12592	17721	84135	84631	35529	22927	51862	26676	75587	31582	51897	37244	34177	37949	42432	55663	40296	75945	35468	51897	24344	42682	43549	43187	19785	0	0	0	40213	49332	0	48463	36907	35303	37345	18208	0	8843	4104	9376	43378	2273	12932	44497	22410	6020	8673	8728	10255	22149	54629	47334	89998	91557	38751	35278	32707	39150	33477	0	20532	23054	44806	26690	8502	7673	39631	4079	10219	27239	22289	20757	60622	44876	19175	57258	43983	86916	0	40445	30853	5268	3519	4362	50770	23006	39159	18364	40354	5632	0	24329	8755	Phytochemical	0.1764706	1.1764706	0.11764706
24	C15 H24 O6	301.16455	301.16498	0.36241248	301.16467	3613	2161	2231	2552	2201	1541	5906	1916	2221	0	0	1471	2624	7969	2985	1620	3413	2891	3852	0	1463	1741	3198	2206	3114	1888	4357	20034	3781	1833	2230	1875	2964	2504	2229	2259	4065	2318	2874	0	0	2478	0	0	0	0	1728	0	3070	1550	4151	2651	1553	0	4530	2324	3475	2620	2223	1074	4631	896	2794	2903	4773	1907	3281	2692	0	0	0	1580	1171	4107	2727	3435	0	4138	2643	2854	2092	1800	4722	2891	2308	4821	2007	1873	3419	0	11718	11486	2549	0	1692	0	3422	4286	2284	3079	4788	2847	2637	2410	1972	1995	2796	0	1529	2013	Lipid	0.4	1.6	0.0
12	C15 H24 O6	301.16455	301.165	0.115708366	301.1646	37822	37127	39023	36548	30050	28561	54513	37891	22731	11469	9683	22519	30493	34899	29343	59465	51772	35764	34413	20545	18731	29513	29684	38640	38513	18581	62904	18492	48919	31782	32961	39333	43197	33457	17430	36489	36715	30011	52915	10446	13715	26086	3267	0	271	23190	17782	573	44871	31207	40677	39273	32569	463	33478	30293	18281	54164	25704	14814	43885	6021	36911	25655	27440	42237	36442	50515	0	9441	10390	28583	29941	43388	34362	35102	457	24362	34141	0	27494	18369	102422	69698	34707	27253	50799	18638	26267	63406	26779	47274	54319	12188	22213	1028	38774	40884	18241	44509	59414	42234	23694	28895	0	35464	33562	666	28138	30092	Lipid	0.4	1.6	0.0
10	C15 H24 O6	301.16455	301.165	0.11270152	301.1646	26146	17887	20705	20758	20837	17295	32587	29347	16447	11108	6957	17242	29174	21693	24189	46984	29816	22564	21939	11194	12413	20191	25221	31014	21058	7216	25617	7999	33233	31142	26165	31247	28702	22111	11695	36445	27241	21834	29112	7823	5012	16699	3075	512	0	16170	14698	468	31963	23819	25239	23979	16456	458	25422	24557	11205	47792	14485	11406	45707	3037	18306	13753	14458	21174	22797	33506	0	7177	4425	20718	22386	32891	28118	24216	0	15833	26220	13697	22364	12891	51276	29217	30065	17789	27512	12676	16647	30066	17544	23721	33258	10011	13090	898	25123	27151	13765	41002	53978	31987	16665	24186	0	23400	23169	0	21945	19496	Lipid	0.4	1.6	0.0
22	C15 H24 O6	301.16455	301.16498	0.26655218	301.16464	32154	23298	27604	28250	32038	22156	43502	21494	25765	15331	8711	22383	20769	36061	33598	37433	32172	29557	33668	12240	11699	9548	15247	13018	22067	52505	28999	170649	55567	23827	27773	45746	39983	23754	13258	32404	46187	57359	34569	7545	21547	220868	5027	0	2010	8900	43507	0	27927	29126	24046	23537	24985	11655	39774	17406	24044	28061	16238	20657	23089	3213	19296	20515	29288	34371	52461	26407	16819	4574	22812	18293	22572	25975	31300	20316	2256	20342	19310	22354	10008	14311	23556	17247	14272	74572	63116	19554	21414	28832	60418	60380	26338	14157	22851	0	30336	26236	18933	14516	18217	39913	14004	12860	21065	24562	24197	0	56013	24518	Lipid	0.4	1.6	0.0
18	C15 H24 O6	301.16455	301.16498	0.19313082	301.1646	66389	60184	65383	53302	93174	77421	97963	63097	56680	26222	22322	34855	122841	96523	65225	63431	40288	117239	125660	43190	26146	33599	49811	45838	63002	14606	78449	115145	105004	64491	70541	95678	111373	89996	34234	92916	98279	49318	43753	21620	10736	68370	10840	2117	1891	28414	9364	2392	79707	45581	62114	64363	80747	3189	130194	72379	51749	65568	42769	20595	62041	14866	86938	70289	67491	133127	110881	36222	5059	11510	6858	60410	67507	93504	49387	68907	1777	44065	38092	43794	26293	20979	109604	53312	64737	69807	57265	53420	77444	29415	101459	97447	54930	19178	32118	3435	64038	61907	44808	64619	81737	116131	39530	59650	27020	48974	57958	2636	39636	78391	Lipid	0.4	1.6	0.0
14	C15 H24 O6	301.16455	301.16498	0.13388807	301.1646	44565	39576	42277	46056	40901	35385	84093	49346	29746	16666	19136	29937	48426	57630	44472	55841	55387	54969	45350	29560	18010	32800	37162	47341	53336	22296	74035	24878	67437	49699	45028	60097	68377	50666	21860	58763	55833	38963	54882	9526	10350	43457	6571	1583	882	22469	16250	1361	64625	39081	48243	44907	37972	3483	51883	42798	29857	73532	28555	14091	60720	8509	53824	36253	47697	50885	56519	54085	0	11877	7735	41825	50233	55629	44902	47037	943	36102	38256	39988	34385	24852	122829	77320	52631	44708	59693	36370	42474	81154	51854	49541	69854	12798	17645	2441	46886	54358	26793	87902	141648	62945	29147	42235	0	46990	42518	1234	37753	34199	Lipid	0.4	1.6	0.0
8	C15 H24 O6	301.16455	301.16504	0.10366654	301.16458	14184	17243	15839	16894	9771	9395	16455	25265	10550	3580	3310	11540	17504	15118	18938	35323	19083	9768	12838	8778	6370	37246	15146	45676	24254	3014	16200	3694	24823	43198	18245	24356	25442	12610	5530	24497	27586	28144	44914	2617	4718	9604	998	0	0	10396	8303	0	24183	16096	13670	16036	9129	263	13280	14530	8250	26299	6784	8396	26252	1944	13034	11308	8736	12501	11965	19404	0	3716	0	30122	17326	27027	17616	24604	0	11757	21416	7115	15910	24720	49840	15886	19876	11866	31276	7063	11017	55556	0	9203	50992	3387	8351	549	17745	15657	9158	32011	36121	20337	8709	13309	0	29884	16549	0	14841	11358	Lipid	0.4	1.6	0.0
16	C15 H24 O6	301.16455	301.16498	0.15992592	301.1646	54006	51316	56275	55426	60395	57816	108495	63745	47663	30498	20914	37105	70833	73789	55457	71807	56530	67448	75585	34907	23285	34488	42992	46013	47036	15622	84560	37167	87176	66766	59634	66249	86394	56319	31290	94808	83300	43734	50959	14281	11383	47907	7098	2387	2186	28461	15506	2133	71444	49431	54157	50489	58277	2920	66899	53451	37282	68988	31637	22030	71260	11930	58389	48347	69431	87250	87634	40031	9192	7782	6336	54459	72723	82522	57717	61296	1292	40272	39187	40813	25544	21571	138778	89283	55438	45369	56249	44516	52744	48320	68219	69024	51930	16234	19012	3357	47110	56980	39691	61134	81664	91209	31357	37599	25915	55698	49102	1850	44596	62553	Lipid	0.4	1.6	0.0
20	C15 H24 O6	301.16455	301.16495	0.19321929	301.1646	55228	51482	52103	42224	75366	71027	64848	48532	57910	29585	18912	25276	88132	101590	47054	42845	27298	92139	92515	26919	21246	22479	30057	18034	47778	12311	52999	252857	85387	49345	50470	69825	80931	65264	27915	70039	89644	45956	29767	12436	10683	64042	9124	1821	1746	17788	13858	1918	53110	36894	46051	44568	70738	3382	93716	52782	42137	55807	34995	11721	52819	6916	60522	61968	41668	93793	87624	26671	2502	4657	6235	43055	63976	67050	34660	46803	1427	31567	25844	46825	13549	12731	68044	37831	42339	50536	42732	37783	60501	27662	89216	78045	35868	19510	15218	2147	46472	55760	40386	40085	53295	81116	34940	42834	34050	37872	51185	2789	31353	82379	Lipid	0.4	1.6	0.0
2	C13 H24 O2 N4 S1	301.16928	301.16953	-0.8387669	301.169	0	0	0	0	0	0	0	0	0	0	1830	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7678	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	100240	0	0	0	0	0	0	0	0	0	0	13183	1887	0	4394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.15384616	1.8461539	0.30769232
16	C14 H24 O5 N2	301.1758	301.17615	0.29686046	301.17587	0	0	1505	0	0	0	0	2190	0	0	1238	1257	0	1513	1962	3253	3406	3530	0	0	0	0	1357	7684	3817	0	2326	7209	2311	0	1821	0	3455	1232	0	2036	1675	2117	2227	0	0	0	332	0	0	0	0	0	3568	1706	0	1448	0	0	0	1370	1855	2116	0	0	0	0	0	0	0	0	0	2290	0	0	0	0	1467	0	0	1341	0	1281	0	26141	1553	0	1641	0	0	1731	1908	0	1815	0	22666	10667	0	1301	1786	0	0	0	1287	0	0	2800	0	0	0	0	0	0	0	0	Peptide	0.35714287	1.7142857	0.14285715
12	C14 H24 O5 N2	301.1758	301.1762	0.13571864	301.17584	8953	12305	10464	13812	6168	6946	6182	8721	4987	1888	0	3637	7022	4074	8930	17567	12501	7250	9502	4663	2988	12022	9775	17749	12070	0	5243	0	14252	8468	9463	12574	16035	10100	5581	8609	13601	7254	10025	3224	0	5860	0	0	0	7083	0	0	12509	7426	15010	12308	8685	0	7224	3137	3107	25917	0	0	0	0	9599	4956	2549	8281	6845	10859	0	1264	0	8903	8908	7781	6785	10835	0	7493	10377	0	4421	4475	4140	1291	4474	5395	14655	8186	5670	22744	113009	94396	37770	5737	3543	0	12886	14538	1507	1447	2010	16628	6493	5829	0	18805	4624	0	11995	9538	Peptide	0.35714287	1.7142857	0.14285715
4	C14 H24 O5 N2	301.1758	301.1764	0.16972388	301.17584	23598	24688	25930	23592	25217	18138	17467	25892	23511	12253	6454	15186	40667	13589	20393	34701	17185	30571	34655	13163	11968	34225	22015	25989	22938	893	20504	10211	21964	15250	20139	24478	29989	18676	19569	19611	29326	20061	23523	11478	10372	16174	0	0	0	19745	13187	0	23922	18262	22997	21426	20786	0	38478	12611	9374	38212	12781	9471	36225	5993	45600	24668	7602	28857	16113	22594	2014	6170	2789	19170	17255	18197	12688	15406	0	16107	21678	10432	18070	8106	9607	3493	17902	15534	29840	14341	16922	36391	51576	52088	68247	6333	11338	0	22183	28063	12325	15696	16672	27751	16377	20454	6958	27908	17355	0	17615	45764	Peptide	0.35714287	1.7142857	0.14285715
6	C14 H24 O5 N2	301.1758	301.17633	0.14963958	301.17584	18940	25659	22985	23305	21060	12905	12561	18316	20758	9238	5206	8759	27572	9933	13094	24822	14702	26995	41621	10409	7410	27242	12899	23431	13665	889	11061	9765	20406	13579	18106	18830	26838	19974	14121	16006	24362	12852	18736	7756	8012	14012	0	0	0	11569	12611	0	20720	12047	23286	25718	17601	0	24198	10451	7124	30385	8464	8159	21880	3248	24914	13975	9528	22654	15008	22031	2020	4745	2477	16374	12968	11951	10741	13135	0	10234	13501	16584	11519	6616	8578	3409	15255	19288	22123	18492	22147	39044	333949	189148	48749	10947	11058	0	24109	21901	9850	10377	12631	19387	9720	16638	0	24229	10976	0	12166	37436	Peptide	0.35714287	1.7142857	0.14285715
10	C14 H24 O5 N2	301.1758	301.17627	0.15656139	301.17584	20494	16621	17305	17500	12449	10497	9931	18538	9174	3044	1476	9470	13388	7149	10435	25250	14582	15967	15767	9690	4626	16778	11769	25538	17819	0	11409	7862	17244	13843	13200	18067	25986	18443	6115	16687	28229	8901	17426	7386	3678	10815	0	0	0	7582	4267	0	26969	12107	17771	18849	9759	0	10515	4577	3825	29651	7811	7404	27007	2587	8181	7943	4515	15694	9346	19197	0	3341	1501	14208	14839	12417	11973	14001	0	7385	15079	14145	8043	6952	6650	1744	9822	6565	14741	8955	12533	21397	321261	130085	39180	6493	7400	0	18941	19083	6009	5124	7010	20923	8672	10874	0	25380	7407	0	15249	14213	Peptide	0.35714287	1.7142857	0.14285715
2	C14 H24 O5 N2	301.1758	301.17642	0.19018711	301.17584	161449	161751	136623	157256	110596	143302	150200	160320	83700	47608	35367	115868	96160	85621	76403	254399	458005	153442	119107	43005	47219	67566	68130	180408	84290	1169	142995	75283	290105	213543	195611	327441	421665	0	67128	276050	438933	59888	549638	17968	12539	81421	309	0	0	36371	12316	0	351657	148441	147285	162436	147951	0	89224	32719	23399	347118	16224	10923	220666	6410	81174	69570	30890	112874	115452	528274	3111	21307	15241	152075	241979	194878	138185	224811	0	96659	61960	16785	47123	10091	14079	4318	35016	47828	116708	128053	125808	134397	72953	61789	173522	11363	19543	0	161214	160320	52717	30524	32762	366028	92396	46982	9102	186583	75255	0	70667	136471	Peptide	0.35714287	1.7142857	0.14285715
18	C19 H24 O3	301.1798	301.1802	0.1314014	301.17987	551176	599223	489254	480508	384236	297170	567669	609226	275633	410799	430563	426095	333225	404465	409761	822918	1036006	329199	499079	518735	520079	508899	418172	747962	403229	867340	583601	383163	615766	596872	510664	651080	653175	584754	391110	609228	592991	394137	1124679	385099	559159	366976	15858	6445	4818	322472	347759	8502	687914	543764	556073	513871	362751	8511	339750	384806	315310	735395	274573	516329	657822	244804	346089	304632	277813	359450	383022	1227956	652139	668011	1055999	410557	441485	569186	998408	681573	4140	326286	624183	379333	510008	300262	412983	339248	481140	385474	644941	415521	401189	1194630	505741	471589	1025973	296876	392417	8575	540472	511983	394874	639971	773092	681448	389489	475401	197313	628165	345118	5573	577060	261758	Phytochemical	0.15789473	1.2631578	0.0
24	C19 H24 O3	301.1798	301.1802	0.19315267	301.17987	770198	788016	702251	758129	764864	558749	529946	772177	553865	830685	896405	556145	826937	643380	596646	1000807	994279	751326	969834	1151063	1124883	709382	626883	868555	594805	1410998	506873	918166	814763	829685	671003	948678	924101	839491	935446	991284	961433	502737	978886	841760	945701	621425	63411	17862	23260	565468	575912	15465	921529	772580	777744	727793	638585	30306	639661	673063	439668	958363	537935	539819	922060	572954	593969	535393	328404	831419	691372	937454	1130330	1151103	1333108	720335	758202	806428	755953	841103	13344	597689	736351	708166	541155	461990	543338	664005	636516	459088	804297	629848	680026	906940	814755	769883	930853	731007	814857	28186	765334	811275	679384	828814	914797	1065808	484665	901937	462866	811120	569598	10360	662412	531162	Phytochemical	0.15789473	1.2631578	0.0
20	C19 H24 O3	301.1798	301.1802	0.1308728	301.17987	847740	927393	859981	771856	657058	507748	806591	946335	515785	746695	704063	707795	563441	695508	755966	1175999	1510471	571434	785716	947992	1074003	713073	585392	895759	617277	1615826	899385	655947	1003555	998218	712059	1049145	1050693	898775	750707	1038520	1012556	626805	1487985	714470	1039793	660094	27863	10264	6306	511330	656992	13580	1000979	846186	839679	845847	614825	9701	569139	643446	510995	1067891	496021	781031	947062	446840	532006	520484	407791	633314	623791	1551570	1174986	1351109	1946266	729904	883574	1001893	1478565	1025790	5624	591516	915589	662320	706136	369519	705909	675815	692450	540022	939444	697004	656391	1337237	844077	750418	1096695	543195	636011	13704	830996	829341	655128	998903	1144391	1205024	673362	881232	399005	894255	614712	11522	786090	543610	Phytochemical	0.15789473	1.2631578	0.0
22	C19 H24 O3	301.1798	301.18018	0.13594143	301.17987	1007036	1062103	897472	974349	873193	670640	819390	1086745	655615	1005759	948267	764915	677488	746758	793596	1293893	1519423	895456	876892	1312866	1346574	888868	781181	1024120	826990	1931453	823463	872841	1198098	1137523	969897	1279466	1305189	1147296	980016	1271904	1246234	772355	1506767	931550	1124404	757834	41075	11194	8678	628497	785368	14067	1246135	1039247	1018500	967999	777726	14290	740629	832788	637486	1270876	621283	768766	1171650	653339	737911	636927	471002	893131	828027	1547683	1473190	1839635	2137254	934638	971217	1040389	1192401	1216408	8366	699013	958232	773803	758389	546371	750760	723264	815981	670443	1081490	862301	830830	1381825	1035517	920000	1136761	750522	958235	18288	861036	1034761	835881	1188303	1236714	1497287	786453	1046834	530600	1055451	732267	14974	888130	734341	Phytochemical	0.15789473	1.2631578	0.0
14	C19 H24 O3	301.1798	301.18027	0.13425422	301.17987	116821	114204	95415	107128	57811	56517	134742	111973	49884	63535	60548	93924	49400	53086	90280	143803	212701	56340	73974	90512	67935	115416	84938	112883	101899	94856	137212	58759	102879	108050	91111	115620	115710	84375	71462	125393	104044	88016	206795	64408	85189	67587	5077	3585	3482	62692	87346	5601	122869	104126	102657	107049	64314	3497	69727	67504	66131	160603	71954	110810	102424	36024	66670	56777	52793	58002	60797	228739	73507	88190	118171	65283	89644	109678	151271	118685	2789	76107	129761	65449	103929	69484	104018	59056	98950	60147	151939	59192	70293	273745	191822	132289	168908	61518	80401	4243	112302	100190	66598	121891	139272	121056	88650	106861	46288	112437	68949	3658	135530	38865	Phytochemical	0.15789473	1.2631578	0.0
10	C19 H24 O3	301.1798	301.18027	0.14491437	301.17987	18158	16034	12397	11657	9406	8459	14461	20043	8251	8226	10517	14701	5564	8683	18379	19530	23110	6866	7880	9712	12000	15447	16147	17277	16403	13526	24213	8098	14381	13254	15013	18943	17603	12201	8562	17568	14231	13856	22536	8649	8078	10116	6010	4203	4074	12663	14790	5796	17640	13666	12866	13985	10012	3311	13287	12435	8143	22698	15668	12283	27855	6182	6133	7950	8105	7651	7281	31072	11589	12376	17558	11190	11536	17445	23853	16917	3454	11508	20976	7945	19453	14643	16790	9094	16845	9756	22734	7632	9527	32349	12688	11538	23322	10386	15549	4305	13382	12862	9414	17689	15237	17246	14593	14098	0	13882	10517	3936	18827	4880	Phytochemical	0.15789473	1.2631578	0.0
16	C19 H24 O3	301.1798	301.18024	0.13132814	301.17987	226391	247754	225825	215973	156543	141401	291757	254914	129623	158305	142571	190975	112567	157046	205116	362759	547676	143906	187102	205360	202560	198982	202840	275976	214979	286548	297333	133455	239538	263300	229117	292348	275449	185351	165440	266669	237278	202143	557507	143289	234750	152692	8506	4655	5740	137824	189637	7073	288547	264551	232134	251853	158254	5535	147125	164078	143344	335372	131895	256454	261207	104341	151435	129037	126105	138721	159131	531224	249317	249356	335726	164514	194640	239493	451363	283740	3881	155405	300807	164727	225452	141622	234623	160303	219103	140180	327625	154530	174591	580498	206033	220650	294087	141610	177253	6874	232917	233598	179199	264600	321586	296004	161758	197353	83652	248663	172469	4719	288195	116833	Phytochemical	0.15789473	1.2631578	0.0
12	C19 H24 O3	301.1798	301.18027	0.13903667	301.17987	51612	64409	49312	47448	19839	18754	47354	47682	23670	23481	27802	30662	12444	18257	33746	67388	77130	18554	23976	27721	24021	49624	33100	66872	42558	25683	74404	13893	42388	53682	40315	59925	38948	31225	23637	49428	40754	33519	78318	27156	34926	25405	4283	3543	3884	31645	32946	5341	58171	55172	51767	51227	16245	2970	27238	23900	23754	58030	26899	40794	51056	11203	19010	19605	16459	24055	19413	89119	23791	26149	41329	31027	36064	52244	72757	56497	2667	35675	58346	18660	43804	33672	38301	19840	33607	24326	52942	18256	21885	109417	42034	44159	62476	18453	40608	4430	49727	48550	32539	39902	42687	51849	30871	42938	0	39284	26344	3804	47547	16505	Phytochemical	0.15789473	1.2631578	0.0
4	C13 H24 O4 N4	301.18704	301.1876	0.17602049	301.18707	948	1345	1089	1305	279	3622	614	1006	0	0	0	531	0	2736	1280	2249	1170	462	993	0	0	1514	1474	1818	1826	0	0	9814	1097	657	1258	1311	1943	690	0	1132	2002	1369	1926	0	0	1218	0	0	0	0	0	0	0	827	1838	1273	330	0	343	0	481	822	0	0	1793	0	564	0	0	603	478	2248	0	0	0	661	1237	579	1690	553	0	1307	1512	51589	1569	0	0	0	0	853	2117	1353	804	2878	28435	4184	5151	2242	0	0	1445	1400	1608	506	0	1593	1227	0	0	1309	533	0	1017	633	Peptide	0.30769232	1.8461539	0.30769232
2	C13 H24 O4 N4	301.18704	301.18762	0.1451403	301.18707	4660	4903	3984	4717	829	0	4013	8316	1196	1633	1686	4519	1467	1397	6794	5755	6712	1352	1935	2718	1302	5161	4760	9639	6544	0	1863	11263	7835	6460	5894	5567	8545	5494	2500	8338	6907	4631	9133	1236	773	0	0	0	0	2151	622	0	6817	4519	5653	4274	1782	0	2084	741	1649	10257	936	696	7786	518	1483	1693	0	2945	4253	7273	0	500	493	6004	5528	5665	4257	4167	0	5035	5852	30830	3898	0	1293	722	726	1851	11930	2528	2817	10269	11884	9976	14629	2750	859	0	4541	5393	921	658	982	5209	5541	2580	554	6823	956	0	8480	1850	Peptide	0.30769232	1.8461539	0.30769232
6	C13 H24 O4 N4	301.18704	301.18747	0.25357956	301.1871	2343	1763	1641	1776	0	10229	0	1376	0	0	2483	678	0	818	841	0	0	0	0	0	0	836	735	0	995	0	807	31105	1119	0	892	1166	3646	1042	0	0	1240	503	0	0	0	1966	0	0	0	0	0	0	0	0	1484	1078	604	0	0	0	0	1722	0	526	1735	0	0	0	0	0	0	0	0	0	0	932	809	0	0	0	0	0	1746	46604	479	0	0	0	0	0	1902	0	711	2517	100715	9967	3397	5877	2304	0	1130	1757	0	0	0	1195	781	0	0	1475	0	0	735	0	Peptide	0.30769232	1.8461539	0.30769232
10	C13 H24 O4 N4	301.18704	301.1873	0.094732806	301.18707	0	0	0	0	0	1446	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33138	2147	0	1125	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.8461539	0.30769232
8	C13 H24 O4 N4	301.18704	301.18738	0.06863222	301.18704	1543	2841	0	2879	0	7122	0	0	0	0	2352	0	0	1080	0	1231	0	0	0	0	0	0	0	0	865	0	0	18765	0	0	0	1091	1392	1542	0	0	1114	0	0	0	0	0	0	0	0	0	0	0	0	0	1276	1309	797	0	0	0	0	0	0	0	0	0	970	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1205	24323	0	0	0	0	0	0	0	636	1068	0	95340	6785	1568	4683	0	0	1427	1354	0	0	0	0	0	0	0	1199	0	0	0	1079	Peptide	0.30769232	1.8461539	0.30769232
10	C18 H24 O2 N2	301.19104	301.19147	0.12857461	301.1911	5925	2435	3176	3935	0	1832	5383	5648	0	3538	3578	3552	0	1155	3518	11223	3631	0	1616	7939	4855	2317	2881	14030	127855	8038	4576	7763	5515	4462	4353	4205	4093	4502	2626	4640	3873	3399	2460	3792	1266	1371	0	0	0	3056	3208	0	4883	4006	4027	4001	1145	0	0	0	2140	9505	0	0	0	0	0	0	2567	0	1073	4940	0	6690	4623	5326	3074	2374	3856	3664	0	3464	3840	5612	3754	0	0	3278	0	2005	7635	1692	1161	18823	15399	0	35414	3563	6332	0	3460	4570	0	0	0	3384	4543	0	0	17417	0	0	57873	0	Lipid	0.11111111	1.3333334	0.11111111
22	C16 H28 O5	301.20096	301.20135	0.16123489	301.201	14983	10126	6973	11584	7720	9309	81064	3983	0	5399	6928	2751	4120	56886	2462	4427	3049	5175	3360	2198	0	0	2314	2943	3115	9016	71930	31628	6186	5824	4148	8870	7047	7507	1548	7532	5879	4713	5840	0	2610	8876	16028	0	1015	3063	4625	0	6161	6331	5128	10274	6279	4608	4244	2514	2508	4698	0	3852	10087	0	11661	3434	30421	20019	23729	6534	0	0	2038	2714	8686	8589	4008	7540	1354	2139	3852	126600	1277	12162	70070	57976	3193	7558	5945	7812	6156	3507	121607	74640	4492	10092	4744	0	5533	11454	6306	1637	2909	6249	3333	1747	21354	4339	3740	0	2476	4359	Lipid	0.3125	1.75	0.0
24	C16 H28 O5	301.20096	301.20132	0.22619726	301.20102	6422	6660	7566	6722	4754	4368	35327	6252	1742	2491	6658	984	3257	20058	3343	2286	2741	2783	4042	1502	0	1454	0	2402	3323	4045	27633	42840	3702	2907	2781	4724	4026	3833	0	4585	5526	2712	3525	0	0	9834	13570	0	0	0	2424	0	2447	2671	6044	6601	4376	0	2293	1330	2691	6356	5567	2048	4946	1704	3108	1623	20704	11328	12094	3679	1176	2490	0	4822	3775	5612	2278	3256	0	2574	1533	75361	1338	6338	28605	20666	1970	3636	4234	41241	3901	4670	104146	86599	6465	11295	4328	0	7798	9128	4114	0	3294	6392	2212	1746	26838	4652	2108	0	1235	0	Lipid	0.3125	1.75	0.0
20	C16 H28 O5	301.20096	301.2013	0.12831664	301.201	6250	4516	3945	6157	3238	2984	66006	4569	0	0	1587	1052	1945	28324	1439	2657	4596	2047	1785	0	0	1854	1829	0	2859	15555	60201	12505	4969	3353	2874	4171	2978	3902	0	5664	2400	2175	4296	0	0	4446	8384	0	643	0	0	557	3000	2265	4986	7764	2454	1878	0	1831	1673	3999	0	2217	5922	0	2325	0	18626	8890	10869	3063	0	0	0	2293	3633	7671	3136	3975	900	1537	0	68985	0	3012	108612	73868	1354	2957	2334	2835	2869	3936	47896	20728	2039	3936	2599	1008	5823	5211	3861	0	1389	1949	1520	1480	4258	2074	2003	0	1332	0	Lipid	0.3125	1.75	0.0
18	C16 H28 O5	301.20096	301.2013	0.15995958	301.201	1635	2478	2660	1562	2284	0	26900	0	0	0	0	1234	1528	8974	0	3321	1889	0	0	0	0	0	0	0	2660	3013	22696	1354	0	2043	2034	0	0	0	0	2777	1874	0	3079	0	0	2218	1282	0	0	0	0	0	4071	1607	1917	3067	0	300	0	0	0	1696	0	0	0	0	0	0	3889	2343	2400	2269	0	0	0	0	2326	5581	1587	0	0	1237	0	18046	0	0	39278	27615	0	1206	2462	0	2776	3766	11624	5934	0	0	0	0	1840	3109	0	0	2320	1922	0	0	0	0	1318	0	1715	0	Lipid	0.3125	1.75	0.0
26	C16 H28 O5	301.20096	301.20102	0.14037976	301.201	0	0	0	0	0	0	4635	0	0	0	0	0	0	6381	0	0	0	0	0	0	0	0	0	0	0	0	2342	7124	0	0	0	0	0	0	0	0	0	0	0	0	0	35288	0	0	0	0	0	0	0	0	2255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1354	6180	0	0	0	0	0	0	0	0	0	0	0	0	7946	0	0	0	0	0	0	0	20832	4647	0	18283	27104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3125	1.75	0.0
2	C15 H28 O4 N2	301.2122	301.21277	0.133897	301.21222	7841	7769	8462	6702	4066	0	5762	9754	1791	1308	1363	3080	2641	1980	4423	15883	8786	1810	1785	1401	976	35361	3113	17042	12894	0	5546	1471	6491	2981	14533	2970	8553	3209	1882	3892	9771	3660	9262	782	1231	0	0	0	0	9579	8015	0	9548	7311	6143	6037	2554	0	3564	1187	1256	12927	1875	0	12859	580	2067	2430	0	3403	2293	7684	0	922	531	4191	3202	3185	10023	1886	0	3346	8121	12612	3055	13134	3665	619	929	2202	10404	1354	1331	41590	10311	14710	116280	14721	14437	0	6927	7439	1445	1006	1055	6921	3444	3162	12100	25108	1802	0	14938	3251	Peptide	0.26666668	1.8666667	0.13333334
14	C15 H28 O4 N2	301.2122	301.21268	0.07209	301.21222	0	0	0	0	0	0	0	1312	0	0	0	0	0	0	0	0	2643	0	0	0	0	0	0	0	0	0	0	0	0	2188	0	0	2093	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2421	0	0	0	0	0	0	2152	3934	3765	0	0	0	0	0	0	20145	1336	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5689	108129	0	0	0	0	0	0	0	0	0	0	0	0	0	2027	15334	0	0	0	0	0	12489	0	0	0	Peptide	0.26666668	1.8666667	0.13333334
26	C20 H28 O2	301.21622	301.2166	0.16525526	301.21625	407719	391986	384099	369631	295404	159368	325054	592659	224160	140150	295255	290064	222213	258527	514481	724175	659374	208465	363730	233807	215438	498559	317772	564580	660813	453318	353250	390532	412336	469406	341695	554624	434567	400413	211757	769751	375631	566893	724700	244055	301425	634419	19122	6989	12161	276022	274713	10388	365457	509400	423172	394839	254320	15850	296297	297034	240494	803909	250791	270549	655038	154974	181934	210857	166387	242737	365080	752584	331715	251539	289223	235010	334027	474340	672056	451880	11595	260700	817894	760929	343325	273344	353488	244907	347535	254050	1385912	210751	252693	1955804	650971	582183	1007097	495866	399595	10244	391971	461261	304759	446499	475780	604030	272996	398154	238522	502505	284665	7715	818772	166478	Lipid	0.1	1.4	0.0
24	C20 H28 O2	301.21622	301.21655	0.15222616	301.21625	468760	513655	455540	456748	344646	208722	481276	630018	219900	216742	301490	365868	245588	348537	459321	1011246	1066366	227335	376493	292704	279312	599070	388506	664296	644731	595173	479597	341632	453764	481358	331914	767374	442704	577150	251385	959488	448873	450561	999152	264738	368653	366409	17480	4608	0	289244	370019	7004	447306	606705	467563	461816	284505	9512	312244	298107	223790	893709	247799	378007	756969	182466	224028	214475	202335	285832	348887	921500	351840	345765	470179	265281	369653	488696	1467643	499099	5916	325193	723584	717655	480349	270277	375313	314599	357501	271007	1271335	264281	303034	2560942	785873	648202	1060677	496130	623121	7837	466075	506308	321110	390428	482538	633687	319932	467002	229673	609989	311033	4730	932525	194032	Lipid	0.1	1.4	0.0
28	C20 H28 O2	301.21622	301.2166	0.17230892	301.21625	72606	67249	66382	66080	62615	36190	84620	112061	60947	30843	72508	52023	47156	63520	86074	107593	101435	45606	73218	44718	40202	67277	66005	88050	124853	64854	77184	134175	97386	92907	64839	130309	81907	65665	37173	188957	62330	125646	94466	34714	39643	89299	13266	11323	17010	56005	39312	10618	67607	100983	68564	64312	63182	16774	100868	80370	59604	131551	51783	39899	108254	31635	35246	52665	47815	60119	85712	106071	61215	36486	42337	37781	48984	100665	109999	74397	16990	53301	105829	178206	60713	55560	61280	47849	108496	58281	248825	35970	46612	218225	98317	88922	134662	99481	61009	9556	76287	76227	135774	131325	171887	110515	51381	74722	54683	92123	136796	10883	111904	33472	Lipid	0.1	1.4	0.0
14	C20 H28 O2	301.21622	301.21658	0.18245654	301.21625	0	2505	2254	3096	0	0	1947	2485	0	0	0	0	0	0	1686	2835	4875	0	0	0	0	0	1419	4090	3721	0	2997	0	0	2572	0	0	1784	1704	0	1776	0	2862	6083	0	0	1166	0	449	317	0	0	785	1608	1955	1873	2513	0	495	0	0	1160	7139	0	0	0	0	0	0	0	0	0	6839	0	0	0	0	1318	1997	5333	2009	267	0	3549	0	3185	1800	3441	938	2451	0	9697	0	0	52035	0	2699	6032	0	0	572	2809	2983	0	3312	3520	1903	1072	0	0	3959	1887	447	6259	0	Lipid	0.1	1.4	0.0
16	C20 H28 O2	301.21622	301.21658	0.11083054	301.21625	7979	8870	9484	4775	4806	2196	10667	10489	1386	0	1588	5933	0	3994	8265	14521	27942	0	1925	0	0	5525	5024	9366	14299	1407	9674	0	3865	6771	4921	8076	3203	2441	0	8292	2667	8165	25577	2070	3554	3271	729	492	601	3286	4667	701	6903	9356	6806	5762	2708	625	3894	3010	4370	13660	3429	8100	0	0	1743	2745	3813	2574	3173	25818	2594	0	1639	3255	2961	7625	14978	7872	335	3712	17104	7333	11553	5054	6228	1947	6346	3760	20300	2228	3579	75371	3515	5244	0	5076	3546	516	4963	6766	4081	10187	10391	5865	6072	0	0	0	6100	437	18054	2008	Lipid	0.1	1.4	0.0
18	C20 H28 O2	301.21622	301.2166	0.17388815	301.21625	27067	29839	24434	21086	13131	8545	36814	42007	10000	4381	7877	21372	9086	12595	20391	51683	86752	4512	14506	5793	5995	26003	24784	33249	43219	8189	41568	7574	17500	19908	19492	31041	21591	19035	3622	32422	17247	28963	80078	1755	11994	8670	1032	400	449	12116	19010	839	19334	31355	26605	28971	14941	598	12575	17731	16252	53083	12362	30044	38378	4791	6231	10874	18986	9074	16334	96174	7955	7822	10921	12767	12352	26578	73202	27373	339	15112	46788	29467	36599	21455	20029	10933	26393	23793	60059	9518	15765	184884	32182	25093	81398	15677	17034	839	25244	27256	14975	23500	29280	31820	14090	12640	11640	30761	16821	409	53966	4592	Lipid	0.1	1.4	0.0
22	C20 H28 O2	301.21622	301.21658	0.12369663	301.21625	231205	260900	207847	229017	142596	89197	287655	333846	110496	108447	128586	187660	88870	153819	219843	474459	634407	102233	151277	130255	138295	268276	207926	314086	374759	209825	329313	137082	218430	231914	165211	299365	207830	202234	114177	328712	194085	240469	605420	107041	201092	121521	6539	0	3706	146239	212799	0	186746	287742	240025	232529	131580	3131	148878	156882	138627	455510	130275	245226	363622	87534	114460	109508	141301	123421	167123	621985	145327	149888	219606	113154	143534	200435	654140	224457	1056	142568	427957	320908	262699	144462	237137	160467	199820	171434	609120	135654	155926	1581052	324545	287380	570310	221561	230330	3899	207303	262759	155623	233727	228630	298093	183687	183746	128055	316073	174007	0	500469	82382	Lipid	0.1	1.4	0.0
20	C20 H28 O2	301.21622	301.21658	0.16641358	301.21625	105070	105268	89905	92491	42903	32203	128292	145801	37629	26972	39485	95213	29910	55621	105451	188494	285010	28170	48806	37070	41581	108487	80432	129658	138366	49175	144690	45891	84098	90580	62215	106931	87698	170937	38859	117970	76752	108226	284212	31342	67562	52785	3806	884	652	51361	85720	2204	69573	117430	92460	101317	49251	1209	43566	61013	50313	186242	53217	109723	126559	26118	33460	37565	49837	37862	49267	274093	28958	38545	64132	44760	74508	82590	283099	91660	435	77320	186702	104506	122520	48834	114565	57521	75276	66227	238628	46018	49524	640031	141209	115259	244040	65272	65597	1875	89330	91729	52899	89890	94537	105809	86367	69834	47998	135300	63956	1130	205206	28615	Lipid	0.1	1.4	0.0
20	C17 H32 O4	301.23734	301.23746	0.23960993	301.2374	0	0	0	0	0	0	4016	0	0	0	0	0	0	1393	0	0	0	0	0	0	0	0	0	0	0	0	4508	6079	0	0	0	0	0	0	0	0	0	0	0	0	0	1188	0	0	0	0	0	0	0	0	0	1583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	85683	0	0	4637	0	0	0	0	1415	0	0	61333	43749	0	5354	0	0	0	0	0	0	1559	0	0	0	0	0	0	0	0	0	Lipid	0.23529412	1.882353	0.0
26	C17 H32 O4	301.23734	301.2376	0.15658236	301.2374	8186	7253	9923	9391	2030	3347	64572	8363	0	2146	20567	0	0	10375	23830	0	7600	0	0	0	5842	1923	0	0	7121	0	68562	89995	8009	0	4062	0	5063	2307	1661	0	2138	41168	8914	2608	9730	0	5389	0	0	0	14116	0	7194	0	9316	9301	0	0	0	0	3320	0	4562	12913	0	3220	4008	2952	13462	4971	5886	10537	8091	1948	4904	0	3221	0	0	4667	0	2647	0	319800	0	8042	10579	13936	0	0	1735	2563	0	3422	88707	57809	4496	25200	0	0	8375	7087	6277	0	0	6280	0	0	30852	5077	0	0	7216	2368	Lipid	0.23529412	1.882353	0.0
22	C17 H32 O4	301.23734	301.23752	0.090057984	301.23737	1613	1364	1508	1659	0	0	10703	0	0	0	2392	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8267	23637	0	0	0	0	0	0	0	0	0	0	1544	0	0	0	0	0	0	0	0	0	0	0	0	2389	0	792	0	0	0	0	0	0	0	0	0	0	2016	0	0	0	0	0	0	0	0	0	0	0	0	0	0	135188	0	0	3762	7554	0	0	0	1205	0	0	79367	52699	0	10267	0	0	0	2827	0	0	2903	0	0	0	0	0	2338	0	0	0	Lipid	0.23529412	1.882353	0.0
24	C17 H32 O4	301.23734	301.2377	0.16575141	301.2374	44851	40130	44344	46072	0	9282	49915	3430	0	1519	31840	0	0	26776	2347	1236	2108	0	0	0	0	0	0	0	2910	4184	45758	308251	2996	0	0	1561	1598	0	0	1396	0	4953	2898	0	2495	2080	6046	0	0	1962	1407	0	4781	2660	44946	34506	0	5986	0	1006	1211	0	1815	2269	0	0	3613	952	23462	3203	5932	2925	0	1642	3023	0	0	1836	0	3103	0	0	0	1423031	0	4687	15687	20292	1933	3254	2392	1510	2673	0	1498931	1187291	1331	246130	25769	0	47826	50324	976	0	0	1294	7199	1904	7507	2061	1053	0	1122	2217	Lipid	0.23529412	1.882353	0.0
6	C16 H32 O3 N2	301.24857	301.2489	0.12987606	301.2486	1394	1418	1643	1259	0	0	1583	1574	0	0	0	0	0	0	0	7310	0	0	1190	0	0	0	0	0	3107	0	566	0	15304	0	43410	3814	10958	4480	0	2163	9345	0	0	0	0	0	0	0	0	0	0	0	25948	0	1345	0	0	0	0	0	0	9198	0	0	5782	0	0	0	0	0	0	0	0	0	0	619	804	0	7461	888	0	0	0	0	0	0	0	0	0	0	0	1665	1467	0	0	0	0	0	0	0	853	0	0	0	0	9901	0	0	0	3154	0	0	1936	0	Lipid	0.1875	2.0	0.125
24	C21 H32 O1	301.2526	301.25293	0.22403409	301.25266	4245	3550	3029	1796	981	0	31815	2040	1304	1196	2802	1617	0	5737	1904	3526	13319	0	3468	0	0	1228	2588	1248	4656	3085	36964	3840	2771	3945	1686	5204	3526	1017	0	4067	0	3974	17151	0	2080	1935	0	0	0	0	2397	0	2018	4167	2655	3301	1338	0	0	1652	2879	5458	0	2854	5373	0	2763	1257	5558	0	7303	19533	2193	0	3273	1802	1578	5277	12237	4484	0	1361	7207	5068	3038	1924	6340	8809	0	0	19907	3456	2265	34988	4885	2434	3501	1399	0	0	2884	2663	2349	1109	0	1886	1650	1945	1380	2010	1825	0	5992	0	Lipid	0.04761905	1.5238096	0.0
26	C21 H32 O1	301.2526	301.2529	0.19979814	301.25266	8019	7743	8319	8142	3282	0	52302	8538	2293	0	8573	5976	0	16890	7808	10422	16716	0	0	0	0	3833	6254	0	11708	15066	58098	13775	10471	15878	6076	11373	6833	6799	2171	12477	4162	11941	19513	3563	7160	0	0	0	0	0	0	0	9329	9002	8321	7651	3355	0	0	0	6347	11284	2612	6770	11478	3411	4736	0	15042	4547	14221	23967	11975	3904	6420	0	4768	15638	19413	10852	0	5779	14267	11309	7372	8881	15194	11532	0	8395	45753	2898	5786	35436	12125	8267	13450	3745	0	0	8383	9721	5916	4519	0	9212	4935	7204	7015	5156	0	0	13885	0	Lipid	0.04761905	1.5238096	0.0
20	C17 H36 O2 N2	301.28494	301.2855	0.23444328	301.28503	0	0	0	0	0	2653	1900	0	0	0	3984	7371	0	0	2099	4302	0	0	0	0	0	0	1531	3145	2847	1402	1153	1547	4069	0	0	0	1785	2666	0	1745	2635	0	0	0	0	12954	445	21152	18836	0	0	23870	0	3050256	0	0	0	12890	0	0	1076	0	1137	0	1491	2835	0	0	1859	0	2688	0	3297	0	0	0	2644	2914	4363	0	5888	3399	0	0	0	0	0	0	0	1466	0	0	0	0	0	0	0	0	0	11251	0	0	0	0	0	2702	1970	0	2434	0	0	5413	0	0	Lipid	0.11764706	2.1176472	0.11764706
4	C17 H12 O1 N1 S1 Na1	302.061	302.06168	0.8976988	302.06128	0	454	0	0	0	0	0	0	0	0	0	0	0	40099	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9561	0	0	0	3505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1131	Organosulfur	0.05882353	0.7058824	0.05882353
16	C15 H11 O6 N1	302.06592	302.06635	0.2424233	302.06598	24970	28079	26897	23934	32218	19444	20151	15899	27053	52723	29101	12952	45561	16176	12829	29243	25640	46030	38971	23671	33041	66540	23458	27935	12082	11754	15095	14238	12834	10112	13252	16024	30062	14850	43184	11254	32747	16660	31220	36131	78374	16216	1337	390	671	14536	38983	1021	18342	13973	25867	29714	30188	534	22974	24805	17811	29008	10658	20633	27097	26202	49054	34695	15273	49509	27353	26486	20130	19379	35131	11710	11122	4720	18143	10826	456	10538	42090	68166	24232	18718	12038	22199	34048	18811	36543	28623	26592	71265	23318	32209	37851	71903	83111	715	27313	19798	21607	32123	26287	23901	13037	14321	13409	40916	20206	839	17070	52978	Phytochemical	0.4	0.73333335	0.06666667
18	C15 H11 O6 N1	302.06592	302.06635	0.23568855	302.06598	21847	23719	20840	24229	24569	13764	12231	11937	14745	29505	24189	9549	30311	14680	9073	22707	24230	31116	31339	12865	18455	47635	14540	19895	9106	5689	11879	9977	7626	11096	8587	10016	18571	9609	38832	4862	24612	11351	16219	26239	57456	18951	1384	381	1012	13471	28767	1393	13545	9088	18989	21186	23827	587	16566	13443	12087	21435	7342	14786	19099	21692	32858	18066	10340	29485	17332	24516	13875	16776	16578	9101	8768	3645	9783	4809	505	8830	22255	46004	21682	15768	8273	18774	16958	12915	24963	25430	22056	35836	18235	27555	27864	52326	50781	758	20934	16301	12386	24554	20492	18426	10752	12443	8732	19527	10338	585	15079	31392	Phytochemical	0.4	0.73333335	0.06666667
14	C15 H11 O6 N1	302.06592	302.06638	0.24085166	302.06598	34373	24895	24121	27359	33417	22951	15411	16158	34747	40774	30419	17472	47790	17487	14619	24040	22025	51441	51540	24986	38192	67049	25202	21358	15440	13871	13393	19771	12342	11946	11634	10846	37175	11599	55844	9106	26046	16073	30609	33672	60772	23867	0	361	353	24765	38566	717	18139	10982	28921	26132	30156	336	40137	29282	17718	39423	8059	22729	21695	26793	53118	40164	15636	48462	26809	26991	17805	21975	33850	9636	7770	4492	15077	11604	429	10722	38754	49506	25186	20894	13162	17007	34174	16423	40928	35117	27786	63935	19580	27897	42604	60819	55258	728	27469	27223	25313	41385	31264	24834	14411	20459	0	32913	24484	425	20156	54182	Phytochemical	0.4	0.73333335	0.06666667
20	C15 H11 O6 N1	302.06592	302.06635	0.28287876	302.066	11015	10028	6974	9413	12504	8411	3980	5297	10041	12469	11815	6771	11754	7270	3608	12885	9302	14692	11572	5593	9033	21429	7130	10978	7036	3672	5560	4583	4014	4778	4354	5241	9298	5458	13913	2604	11956	4510	12906	13180	25545	9159	1637	1387	963	10119	15656	1043	6764	3259	9726	4780	13795	1219	10301	8748	6079	12264	1904	10938	12609	8847	9772	12202	6324	14033	10665	7729	3135	5091	6215	5669	3944	2114	7466	5044	723	4886	15170	29899	7440	5137	5325	0	9126	6583	16527	12238	10581	27930	8374	13031	16767	31624	25940	547	9545	7636	6306	10628	8559	9796	4212	4712	3774	9815	7734	1009	10136	19692	Phytochemical	0.4	0.73333335	0.06666667
8	C15 H11 O6 N1	302.06592	302.06647	0.31215176	302.066	8517	8073	7325	9386	13526	7458	3539	3730	19781	8856	6147	5300	21706	4771	4656	6707	5565	16020	20027	6990	9385	18337	7377	5057	2034	1212	2647	3778	2252	1726	3251	4220	9754	2503	16402	2900	8821	4627	7178	5160	9185	9788	0	0	0	4920	9191	0	3929	3069	8566	10078	9961	0	16295	14981	7401	6676	2116	4624	7154	4717	27505	16844	6418	19008	9047	8083	6318	2634	6381	3821	2294	1742	2806	2758	0	4195	7711	3063	5140	3129	3222	1558	13404	4110	7876	12125	9967	14822	0	0	13010	12063	7195	0	9931	9772	13928	19235	18264	10675	4255	1733	0	8838	8614	0	2838	29859	Phytochemical	0.4	0.73333335	0.06666667
10	C12 H15 O6 N1 S1	302.06927	302.0698	0.25508052	302.06937	11251	7611	7253	8719	14685	7615	2931	3777	11629	11455	8794	3879	16192	3503	4749	7043	6312	15880	13797	10935	12998	23498	4679	8108	4864	3054	3766	7029	4569	2646	5484	3057	7092	4602	18639	4701	6684	4601	5529	21312	26393	5938	0	0	0	9709	16990	0	6108	4356	11958	9955	10186	0	10128	9459	4816	9838	10177	15438	0	15272	11307	9770	4124	11339	5111	8327	10851	8858	8651	2384	2549	1015	3824	2545	0	4120	3602	12563	5815	8945	6042	7057	9577	6810	5408	6744	6605	10680	13891	23201	9839	20614	27978	0	9819	12887	6083	11763	9829	6881	4412	12641	0	7862	11913	0	4876	17217	Organosulfur	0.5	1.25	0.083333336
12	C12 H15 O6 N1 S1	302.06927	302.06976	0.26759157	302.06937	9640	8403	11900	9204	12799	9273	4794	5490	9762	10421	4403	3863	12248	3549	4979	9142	7393	13909	16136	7718	9323	20752	4454	5426	5301	2088	2188	10011	6386	5369	2783	5609	6168	5141	12836	4548	9836	4046	5546	16364	19942	5785	0	0	0	8841	9005	0	5081	3270	8328	12350	11903	0	12549	10880	4262	7054	8466	7765	0	14389	11101	6582	2534	12549	6764	4152	0	4152	6756	5309	3587	2975	3091	4280	0	3000	4898	0	4250	6607	6930	7187	7282	5814	5070	7083	8761	6313	27315	35148	12373	10910	21135	0	10027	12119	6826	9782	7282	7169	2118	8424	0	8390	11613	0	4170	16286	Organosulfur	0.5	1.25	0.083333336
8	C12 H15 O6 N1 S1	302.06927	302.06982	0.2375708	302.06937	7213	9664	4914	7359	9967	7332	2120	3264	10427	10428	8600	3250	14952	3262	2723	6303	4095	11170	9466	8156	13402	16613	2783	10060	2556	2354	2233	2602	2609	4066	2576	4156	6977	3115	15177	2766	6359	3913	7056	14433	19921	3653	0	0	0	6665	20741	0	3118	2951	5856	7484	7389	0	8541	7301	3208	7599	8190	12947	3655	11204	8445	7413	3159	8266	5545	4964	0	5025	6685	2056	2704	1765	3106	2375	0	2626	5552	6347	1888	5561	4632	4076	6660	0	5140	5893	6558	8615	0	24211	10655	16228	14420	0	4635	7700	5149	10179	5996	6310	2545	6987	0	8123	9186	0	2891	14403	Organosulfur	0.5	1.25	0.083333336
14	C12 H15 O6 N1 S1	302.06927	302.06973	0.22809318	302.06937	9525	6074	8167	7688	10071	7607	2046	2871	6227	4280	2854	2678	15299	3435	3369	8599	5038	15095	9772	2655	4437	9382	4824	5720	4312	1268	4067	0	5172	3546	5622	10675	6188	7012	4952	3499	9894	3790	5520	12144	10400	5126	0	0	0	8082	6806	0	3039	1225	5308	5969	11582	0	5798	7668	3553	12367	5908	5938	0	6590	6936	4065	2720	8705	5248	4467	0	2005	2741	2228	4810	2140	5032	4872	0	3113	2805	0	2640	3385	4821	5047	5430	3944	4428	7828	5647	7969	15829	24935	11128	10301	10925	0	6146	10586	4762	6869	7122	5635	3181	4880	0	9577	6011	0	5400	11000	Organosulfur	0.5	1.25	0.083333336
12	C12 H15 O8 N1	302.08704	302.08752	0.25135702	302.08713	16417	13873	19082	15381	32180	24289	6885	10466	39793	2849	12715	12582	49188	15335	14457	9793	15446	53920	42886	5422	12906	10317	17016	6382	5699	0	7870	0	15083	9289	11807	10240	20028	11616	8219	9594	22263	14802	16372	2297	9494	26884	1253	576	654	5382	0	508	12381	8842	14297	14988	35075	509	59017	33447	17385	7656	7089	13253	0	9439	51154	47047	15359	34299	24952	14408	0	0	0	9051	9878	9495	10095	6535	0	13017	9687	0	7912	4112	3057	0	27605	18906	9371	22548	28092	14312	5627	6754	15707	6934	2783	681	14118	17926	28485	27507	30614	22083	12372	6129	0	16912	32299	335	4834	69735	Phytochemical	0.6666667	1.25	0.083333336
2	C12 H15 O8 N1	302.08704	302.08768	0.3090306	302.08713	4663	4230	3709	5184	10893	0	1671	4494	8587	1967	1602	2890	20332	5613	2261	997	2036	15190	13866	3023	5832	6840	3356	2666	1445	0	0	0	4398	2907	4562	4218	9907	6560	4554	4013	6045	1313	1541	3344	1911	6584	0	0	0	2061	1238	0	5113	2489	3744	3706	8381	0	10601	5870	3566	5933	1509	844	1716	837	24214	13446	2729	16062	9829	3504	0	1187	0	7510	6843	3253	283	3582	0	2923	2308	0	1812	1035	909	760	6814	2829	2114	9800	10354	3211	3197	4545	6655	1727	617	0	4806	6113	4868	6188	7404	4542	3559	2064	1136	6210	4681	0	1578	28637	Phytochemical	0.6666667	1.25	0.083333336
4	C12 H15 O8 N1	302.08704	302.08768	0.28001183	302.08713	8025	9380	6669	8207	14538	8008	2621	3672	14587	3737	3803	4752	23317	6128	3458	5744	8106	21589	19637	3881	6412	7480	4641	5293	1845	721	2498	0	5005	4119	4094	5291	8496	5333	5786	5161	10030	2901	10582	3610	5181	8654	0	0	361	3109	4057	397	5411	3467	7668	6797	8552	315	14451	18492	6446	4743	3139	4757	6825	1785	27778	20045	8168	18951	6996	7863	1672	0	0	6535	5174	4419	2083	3782	0	3201	5046	0	4503	2284	1257	1220	14597	7583	4559	12275	10734	6632	2616	3277	10527	3729	3970	0	7860	9503	11376	20054	19209	8702	4504	4500	0	6380	13366	0	1986	32151	Phytochemical	0.6666667	1.25	0.083333336
14	C12 H15 O8 N1	302.08704	302.08752	0.2305377	302.08713	4957	11125	4565	7130	14400	11813	0	7672	18642	0	0	8003	22992	9486	8656	7497	9076	21663	13364	0	5425	0	8853	4212	2844	0	3979	0	5597	3179	3177	8038	10758	3348	3396	4960	7398	5121	6761	1767	4197	11534	0	454	599	1934	0	684	3143	2920	2465	5481	9495	297	18232	13453	7919	6288	0	0	0	2133	21329	23347	8795	16722	11265	6502	0	0	0	4171	4314	2814	4660	3166	516	6229	4600	0	4616	0	1085	0	15551	7391	6563	9453	9672	0	0	3081	5884	0	0	818	7971	5630	11111	11090	12811	7747	6539	3183	0	6274	11098	0	2067	24362	Phytochemical	0.6666667	1.25	0.083333336
8	C12 H15 O8 N1	302.08704	302.0876	0.23085693	302.08713	37451	36623	25944	35963	66306	40115	10204	20146	82734	26923	33725	20019	123753	24277	17728	22416	27847	89901	88968	21055	38824	31005	26213	23598	7075	860	12064	7722	18409	16624	19388	21244	32835	20083	34135	18077	35127	16263	35435	18437	42297	44340	720	0	434	12032	15914	393	24424	17565	32031	37145	55177	429	103408	75509	32165	25621	12130	26597	26172	21457	130368	104751	28527	79482	42453	33831	7794	4279	6869	18986	19247	15050	20730	20952	0	15579	15738	9755	10316	7880	4817	3993	62931	29211	15535	49926	47154	21039	0	16970	33989	25781	16034	386	36035	38615	50643	69056	80502	38476	20944	20478	0	23722	70441	0	6939	152407	Phytochemical	0.6666667	1.25	0.083333336
22	C16 H15 O5 N1	302.1023	302.10272	0.23187436	302.10236	10217	11145	6518	9783	6450	5753	3032	7005	6431	22765	22883	4744	4528	5461	6192	6197	8322	7335	7278	9651	19125	23635	6667	9282	6464	17014	3209	23310	6660	2989	5335	0	9421	6456	18769	4609	7928	2590	5957	26129	40293	5943	0	0	1234	13003	18372	0	5709	5353	9066	8668	5664	1534	4438	5940	5750	10108	4565	7740	8250	18295	5425	6626	4119	12994	6322	7515	26163	30277	39004	4202	4034	2345	3476	6508	1452	3235	6740	29811	8252	15471	4968	16462	5675	4132	9411	10172	5360	12237	10488	10779	12689	32654	30396	0	10639	4663	5112	9225	6242	8073	3567	5245	9616	7704	4454	0	6859	9142	Phytochemical	0.3125	0.9375	0.0625
14	C13 H19 O5 N1 S1	302.10568	302.10614	0.22968568	302.10574	11761	13798	11765	12511	8851	5861	5594	2371	6534	22121	8373	2643	8307	4001	3864	6866	3141	10578	5091	21139	18285	25483	3079	6768	8335	6647	5314	9667	6086	4115	4888	8745	5811	6866	35018	5876	5730	3367	5048	26934	21000	4561	0	0	0	18835	17601	0	5716	2788	10960	9838	4329	0	4643	4373	3402	11258	14831	13987	0	12031	5579	3308	2106	6331	6211	6929	0	9229	7175	4832	4819	3209	3817	3573	0	2687	2228	20125	3203	16761	11503	14180	3984	2702	6361	7549	5672	7685	65284	65367	9177	27017	33828	0	12897	11202	4406	7916	9319	4716	2480	24546	0	7496	4522	0	7709	0	Organosulfur	0.3846154	1.4615384	0.07692308
22	C13 H19 O5 N1 S1	302.10568	302.10608	0.14584497	302.1057	0	0	0	0	6905	9881	0	0	1636	0	0	0	0	32368	0	2439	0	4434	1899	0	0	0	0	0	2265	0	0	0	1390	0	0	0	0	1210	0	1754	0	0	0	0	0	19132	0	0	0	0	0	0	1689	0	0	0	6882	0	1625	3202	8054	0	1982	6983	1605	1778	0	0	4923	0	12129	2904	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1872	0	2748	0	1169	3086	0	3411	0	4383	0	0	0	0	2172	3336	0	0	0	0	4096	1154	0	4811	0	1510	0	Organosulfur	0.3846154	1.4615384	0.07692308
16	C13 H19 O5 N1 S1	302.10568	302.10614	0.2588705	302.10574	8947	9214	9762	7345	7991	5669	2997	2781	4567	19509	10746	2574	9089	3157	4946	4066	5300	8438	5880	24813	19883	23648	2611	4835	6672	5085	1949	12270	3952	1999	1796	5591	4944	5378	14925	0	4438	1871	6222	20334	15540	3203	0	0	0	16890	18074	0	4870	2520	6616	8745	4426	0	4736	2998	3061	10848	14469	11066	0	18300	4645	3967	2312	4828	4532	6827	2798	3913	3527	2442	3390	1462	3651	2126	0	1984	1895	20371	0	13435	8857	12126	2721	3225	4821	5335	5368	0	48502	64721	0	20864	41776	0	4894	10502	3559	4176	3700	7038	2464	9571	10449	0	6042	0	3342	7672	Organosulfur	0.3846154	1.4615384	0.07692308
12	C13 H19 O7 N1	302.12344	302.1239	0.17516708	302.12347	187414	183429	202388	189910	346291	274196	128672	186317	432450	243119	157031	111925	518782	147672	165699	159339	195998	657084	598124	343075	387970	220757	181669	117721	113306	127875	80410	156607	260504	150579	160365	182849	282640	193660	322763	207431	246155	135132	166897	265332	251292	260589	11587	1968	2650	152988	139591	2070	170461	133765	195411	197658	319380	2486	682795	342251	158173	187880	192427	148870	158868	211193	438413	426736	114643	378118	231770	158814	231221	180246	231533	139056	178218	185854	120496	142712	1915	133982	118755	125641	100260	99829	111134	108460	324739	197834	150852	175912	229491	133733	179887	292466	181773	149362	164246	3612	206327	266639	290815	258989	302208	270742	118122	176002	103051	140763	406829	2604	81768	593020	Lipid	0.53846157	1.4615384	0.07692308
4	C13 H19 O7 N1	302.12344	302.124	0.23976187	302.1235	33901	35669	34811	30533	42716	31941	16378	35491	48911	24218	22037	23354	143480	20201	23731	32711	46223	141160	64381	34854	39423	39830	27610	35550	15352	9236	20279	8690	32334	25298	27466	29186	44861	28952	34442	31743	46868	20802	48731	27809	27617	38668	1852	897	1166	31346	32637	720	35009	31893	33165	30037	39084	1245	71629	58279	25085	32169	35037	37229	36470	19146	143150	60528	25467	49895	31982	40844	18291	12074	10900	26687	29398	33713	15276	27041	876	21111	22100	14200	19175	15963	17049	9431	48076	34018	20418	35511	38341	31274	24368	29008	42475	18472	28150	2001	32482	42479	36391	59209	64247	40393	22064	42715	21727	31874	45443	773	15516	169130	Lipid	0.53846157	1.4615384	0.07692308
10	C13 H19 O7 N1	302.12344	302.1239	0.1355698	302.12347	300735	264425	265773	238021	426066	313436	142008	241955	533740	296846	208653	163942	759184	159866	204410	258708	225158	805868	712956	415548	451323	258411	221157	192854	125954	155763	124206	152517	297632	239423	197995	255107	354816	251611	371018	273117	371465	152294	203838	289448	308504	343256	14845	2440	2962	195311	200463	2083	232623	204446	284625	263550	387326	3805	940851	466760	171468	273301	241209	207221	295436	216147	483270	591555	155094	478183	269627	195399	268456	193531	234972	199593	229634	252091	212924	209197	1423	157907	165110	144346	125388	125503	149803	112333	450334	266298	183201	265237	311096	155763	178738	280459	250755	192984	276835	4360	272409	344471	345166	354480	434828	402359	157671	334557	115279	192406	479418	2444	103807	678074	Lipid	0.53846157	1.4615384	0.07692308
6	C13 H19 O7 N1	302.12344	302.12396	0.18044499	302.12347	102991	112276	100018	102723	128469	83967	58161	115056	163191	89777	73573	69355	233800	54625	93656	122059	108577	261955	238651	111609	142195	111971	90600	111628	44011	27317	51225	38484	113836	93317	92171	97697	134711	101206	108216	111835	138718	65658	122538	64269	91150	125058	2994	614	1202	90961	108744	715	106817	92392	108180	104356	119798	1733	266058	177960	78832	107741	94536	106784	119862	53016	202855	164364	58710	152378	114371	124733	62587	45314	60227	88914	92696	94490	62212	80385	1057	70388	65698	30230	57705	42206	56178	26942	167214	104664	72057	107901	117219	100711	50273	94904	152242	63889	82885	1487	98585	115820	100123	137154	179548	161389	68227	137711	45525	97353	158159	852	42972	270280	Lipid	0.53846157	1.4615384	0.07692308
0	C13 H19 O7 N1	302.12344	302.12408	0.16553606	302.12347	7218	6674	6219	7693	8865	12706	1653	9756	8115	6797	1454	3152	17898	4871	2761	0	2547	19281	13511	6800	13260	10859	3994	7440	3039	1097	0	1345	10157	4052	7245	8878	17969	12703	12336	9548	16259	1921	3072	7613	2070	8046	0	333	881	5301	0	350	14687	5969	6960	5651	10847	647	9802	3869	2318	16076	3174	1779	3978	1766	20269	13220	3543	12669	14068	3203	1561	3190	1489	7999	14533	7864	0	9804	698	2781	1603	1204	1623	1293	1443	0	4088	2038	1869	8393	12497	1474	6162	9195	11632	1637	0	597	7987	10179	3177	3374	4285	10005	2835	8285	1903	12606	3425	0	1397	33169	Lipid	0.53846157	1.4615384	0.07692308
6	C12 H19 O6 N3	302.13467	302.13522	0.26846105	302.13474	10108	7787	9494	9778	6257	4183	5382	9417	8200	4056	3995	7674	8493	3503	8583	12598	10923	8546	13469	3087	5028	12178	8033	14274	5106	0	5367	9070	7309	6943	8129	7513	10427	7607	5119	8572	11685	6736	14460	2356	4883	5845	0	0	0	5122	6370	0	9013	9063	9499	9871	8201	0	12130	4038	5192	13236	6763	9598	14017	3715	9373	7730	4393	9679	7743	13659	0	0	0	5483	4983	6069	3476	6625	0	4627	6916	13327	4939	4141	4909	0	6598	5484	10291	7871	8302	26768	15805	10841	23945	6095	3139	0	9131	11003	3998	4203	5612	10240	5974	7807	0	14064	5855	0	6187	14628	Peptide	0.5	1.5833334	0.25
0	C12 H19 O6 N3	302.13467	302.13528	0.08294939	302.13467	15180	15984	12293	13812	20355	29447	4003	21407	19055	4083	2512	8723	28168	11866	5136	2276	10524	31429	25296	4850	8779	15820	8690	18364	6605	0	0	5219	29972	6921	16855	19486	35343	19465	9631	21164	26764	5852	13477	2741	2417	26940	0	0	0	5080	2268	0	21810	11319	15763	12218	21582	0	17437	9764	6761	26217	3970	3492	6469	1193	36438	17801	13826	29549	31042	12648	800	1615	0	18662	23836	14175	0	19038	0	7144	7094	17623	4609	1277	2034	0	13070	6897	7752	20305	24331	12865	69845	18740	26288	5291	0	0	15829	12960	8691	12261	11485	17132	6549	6268	1211	27945	18716	0	5134	53498	Peptide	0.5	1.5833334	0.25
10	C17 H19 O4 N1	302.13867	302.13916	0.15644324	302.13873	73186	70737	66251	65501	34395	28638	34536	59798	35081	212421	115332	29086	30967	32750	36603	74011	44183	39779	58029	217787	261787	99500	32739	94303	47630	287813	33926	109466	52152	45963	42074	55110	69195	43578	211863	46937	60734	31848	63150	159762	187539	31024	2098	596	819	85437	92082	862	58972	43180	69296	69431	33880	1002	34425	22492	18058	76872	16407	52850	71018	77440	32868	31824	20888	42106	32305	64828	247337	332616	420097	44496	38102	31987	40918	43191	699	27405	52117	77463	32735	39548	25493	94322	29234	20053	48614	31972	33547	79519	77389	46262	101137	98075	166958	1046	69323	71871	28443	26358	22437	60358	26869	59482	34841	58682	23032	727	41607	37149	Phytochemical	0.23529412	1.117647	0.05882353
16	C17 H19 O4 N1	302.13867	302.13913	0.2063046	302.13873	94735	95213	99548	112313	55079	43926	44810	59666	39933	263988	180743	38760	37930	28389	44838	76935	77122	45195	66018	233317	293046	142717	51316	70368	46228	356877	50934	169293	54040	52908	48838	62387	82248	53188	260236	55013	79465	37055	92723	216685	313995	44378	2176	813	0	85200	111404	0	80877	55204	93904	105518	46924	0	39456	32374	31424	80626	42253	91309	74598	137895	43696	36638	27468	55122	45677	91207	306219	409255	549010	50009	45896	34669	58127	53048	0	37749	57474	129263	48520	70524	56759	170468	40624	28342	61415	62252	47552	145712	112642	115027	121782	142892	206306	0	101787	96048	36189	34969	36319	84711	33516	72787	54912	87002	36283	0	50726	52142	Phytochemical	0.23529412	1.117647	0.05882353
12	C17 H19 O4 N1	302.13867	302.13916	0.1817544	302.13873	82697	81697	90674	82583	38266	31118	53579	104078	44898	150612	111382	50789	26314	32880	54848	92496	91680	48730	66455	183536	221298	116902	54683	79409	46102	225426	45829	86402	78612	66226	77774	80170	104713	78935	189482	69894	79168	54331	112842	150986	213637	42349	1355	0	800	88594	125978	813	96981	89109	94453	87755	35802	728	45031	24338	26292	89779	21609	58954	62057	85324	61842	39380	23733	40712	36727	99424	191400	298139	406518	82553	78054	67021	76737	78503	707	55446	64693	68854	56426	57995	41375	100521	32565	25043	64298	40825	44828	133980	83992	68427	116265	84067	143828	821	85789	83784	24197	24101	25949	85788	45614	81479	39839	73439	29529	867	60923	67071	Phytochemical	0.23529412	1.117647	0.05882353
24	C17 H19 O4 N1	302.13867	302.13907	0.25471967	302.13876	4486	5802	4198	5896	2889	0	1851	3644	3672	7575	12286	4279	3751	3032	2765	5581	6319	6637	4322	3513	8023	7259	5408	5562	2431	5944	1487	11023	3581	6295	4412	6122	4692	4374	6636	5232	6098	2785	8017	8603	14599	3729	3426	0	0	3401	4975	0	5925	4981	5835	4909	4745	0	1697	2000	3093	6798	2757	4529	5250	8211	4199	2399	1763	6561	6052	7525	12982	8246	20474	5147	3268	2325	4518	6820	0	3266	2984	8988	3519	5445	2990	4090	3314	0	4520	8152	3411	6354	6902	4761	11700	7155	7668	0	3996	4506	4054	3627	2194	5340	5195	5427	4031	4849	2603	0	4532	3840	Phytochemical	0.23529412	1.117647	0.05882353
18	C17 H19 O4 N1	302.13867	302.1391	0.21184513	302.13876	95430	80138	63861	70802	55901	42131	39849	55547	33984	169960	139247	33105	53972	40812	41211	69805	59646	51579	63974	191222	197661	118791	47297	65345	34859	248003	35952	136395	48535	43974	43607	47796	66111	45652	149223	47280	63336	27549	67279	175304	250400	50149	15431	14160	16495	79758	95292	14789	58807	46424	82235	85444	48201	17703	37535	36315	27727	59589	34231	69071	59836	111945	53907	35477	24234	58674	51089	72183	243049	273948	417341	43332	38771	34622	45009	37403	17227	32695	50055	121191	37871	68852	43616	125193	40701	30079	56748	53675	44368	98318	87042	99046	100501	117285	156859	16473	82827	70720	39525	35807	35431	69393	33560	62483	40981	60086	29098	14762	47328	45397	Phytochemical	0.23529412	1.117647	0.05882353
2	C17 H19 O4 N1	302.13867	302.1393	0.24605824	302.13876	26411	23615	22869	25364	10267	15977	17435	34508	12060	42621	21640	19582	12945	12308	19489	26154	27805	17921	21646	44737	60644	24869	17985	24569	13844	66838	14398	17531	26770	26075	25823	27149	28815	26222	43057	29430	31550	17192	30260	34419	37902	16047	636	690	795	19972	33280	762	33054	32315	21012	27973	13002	610	17690	7410	8414	26538	4583	12231	23591	18350	10652	13768	7203	12896	17028	34629	52425	74718	88520	26585	29072	28582	33049	26405	412	20143	21757	22022	18321	12651	11423	23866	7996	9120	17212	14013	14830	30540	21184	17566	34916	21907	33377	1393	21511	29001	8880	6778	6808	26766	19389	30979	15642	22160	6280	612	15099	11775	Phytochemical	0.23529412	1.117647	0.05882353
6	C17 H19 O4 N1	302.13867	302.13922	0.2045269	302.13873	65989	67397	62605	64449	33226	31421	28972	53540	29092	180453	94538	31921	42415	28012	29094	57097	54118	41662	51876	185677	225561	82457	35026	61900	29388	280865	32315	78626	45206	42910	38934	47613	61971	49208	190210	46148	57052	30735	74712	104072	133096	28305	1592	555	709	74254	102586	827	70347	51563	71971	70590	34295	712	37785	24017	18368	57884	8115	38381	62374	69578	35098	23936	16100	38684	36330	76242	231320	321725	426938	44438	40821	32976	43362	41444	461	25759	39569	60301	33547	29232	18799	87420	26472	19640	46582	32629	30469	78932	63939	41077	72909	83257	144994	921	59816	60100	22390	23930	29000	58658	27029	55465	35876	47804	22183	547	33968	36858	Phytochemical	0.23529412	1.117647	0.05882353
14	C17 H19 O4 N1	302.13867	302.13913	0.20487955	302.13873	90772	86156	85671	89077	49885	44256	43688	62456	46616	213967	138932	36866	39360	30532	35896	69399	70686	54109	60606	226727	259104	141619	45129	68477	44152	333529	47796	141317	38806	48514	43579	45215	72575	45754	223937	46537	70143	36764	78237	213716	272350	36763	0	2329	1585	93395	109686	2503	60839	49108	79323	75718	47368	2559	38846	31292	31947	79831	40549	83915	56971	117665	44491	32852	24686	49201	39799	85501	268467	381462	557459	51093	46709	37214	51199	47807	1803	34010	60309	91601	48697	63989	56360	150575	40570	28080	73743	49616	49629	135352	104003	99704	123398	118509	174019	2134	100365	79926	29197	28258	31809	64251	35689	71308	41033	62462	30135	2152	52340	46354	Phytochemical	0.23529412	1.117647	0.05882353
22	C17 H19 O4 N1	302.13867	302.1391	0.23620456	302.13876	15504	18113	11801	20132	14278	13746	7145	15866	9519	35270	43263	11919	8139	9992	9485	16226	19715	13076	13055	30247	39670	18908	12296	15094	11089	30929	6098	39155	14965	12856	11569	15427	20097	13648	30298	15559	14059	9335	15917	36162	53559	13610	0	0	1234	19837	21800	0	16535	14341	17553	18572	15995	1666	8686	6938	7641	19511	12452	19705	19580	25198	11638	6912	7375	15178	17244	19141	35046	33985	62602	13110	10980	12005	11219	14417	1906	6669	13133	30852	12531	15036	10173	27673	12250	13686	14120	14948	15445	19798	28894	27585	21788	27666	23178	0	15990	16775	7293	10709	8648	20434	7693	19093	17119	17696	12807	0	12321	15878	Phytochemical	0.23529412	1.117647	0.05882353
18	C14 H23 O4 N1 S1	302.14206	302.14243	0.18503693	302.14212	0	0	0	0	0	0	0	1706	0	0	0	0	1488	1495	0	4170	0	0	0	0	0	1956	1437	6927	0	0	0	0	0	1776	3051	8386	2612	4991	0	7431	2690	0	0	0	2638	1489	0	0	0	2593	0	0	0	0	1991	0	0	0	0	0	1305	32567	0	2467	2845	0	0	0	1978	0	2001	1880	1195	0	0	0	1628	0	0	0	0	1680	0	2298	0	0	0	0	0	2066	0	1837	0	1993	5531	5984	0	2632	3537	0	0	2205	2419	0	0	0	0	1866	0	0	2129	0	1538	0	Organosulfur	0.2857143	1.6428572	0.071428575
12	C16 H19 O3 N3	302.14993	302.1504	0.1932227	302.14996	10467	11323	8103	11548	6369	4097	13707	16820	2152	8301	5584	9486	2629	2492	11451	18011	23417	5129	7690	13181	9252	19209	10435	18920	16275	9179	8551	0	11532	14541	13148	10755	17995	13378	11376	13987	15276	10894	32405	16907	20248	7683	0	0	0	11533	18434	0	12737	15040	14325	9024	5573	0	2481	2330	4275	21234	5367	10697	0	5257	3534	3432	4111	2876	7753	37956	0	11000	16700	11706	15391	10340	17551	12916	0	9885	16622	21796	16229	6857	9558	9613	2328	4668	15812	7978	10840	58384	21114	15574	35383	12757	14758	0	13530	12211	4358	1722	4081	11905	10981	12810	0	21684	2670	0	20310	2457	Peptide	0.1875	1.1875	0.1875
10	C16 H19 O3 N3	302.14993	302.15042	0.21296628	302.15	20740	17085	16897	18029	6545	6365	14308	23151	3817	16693	14469	14361	2685	5944	13344	26364	27004	8730	8840	24316	22969	26726	16592	30728	19557	13826	16867	18995	15975	15339	16197	25176	22923	17638	15668	20041	25732	15429	31098	23653	29756	8369	0	0	0	10613	19970	0	19381	17864	22748	22647	8394	0	4400	2004	5770	24427	6043	19308	26766	11379	2376	3517	7571	6111	5761	37182	10168	22270	15814	17107	12798	12236	23875	17260	0	10057	21011	35055	22401	8710	11147	12645	4520	5745	22559	11743	11533	71419	66220	27463	52481	18641	24133	0	19162	24072	3813	4266	2739	21651	12140	15419	0	29098	5648	0	26266	3110	Peptide	0.1875	1.1875	0.1875
8	C16 H19 O3 N3	302.14993	302.15042	0.1912067	302.14996	30990	27619	24860	34529	5918	7973	17072	17797	4523	21809	57453	11163	3228	6145	14356	23781	22922	6496	11831	26000	26063	21351	15303	26437	14435	15966	16283	140828	17396	14337	12580	21490	20788	16305	21015	15916	22049	12697	29382	25282	28720	10156	0	0	0	18997	19173	0	21529	14296	29508	35787	8018	0	5004	1709	6138	22049	4620	14044	18614	14247	3484	4625	8383	7026	9362	32903	16291	21232	31523	16592	15989	10578	15208	15320	0	11331	25556	440629	18204	8714	9305	21961	3478	5673	23694	14882	10374	46441	757566	252693	47900	98115	36444	0	26162	27815	5761	1795	2514	23073	10701	17589	6545	21405	5268	0	21453	3483	Peptide	0.1875	1.1875	0.1875
12	C14 H23 O6 N1	302.15982	302.16028	0.11814989	302.15985	117065	112808	138797	117922	235264	188837	204024	281512	190541	94467	62091	132486	312755	134416	206808	163085	299884	435299	453720	198789	236246	134773	220183	122348	189900	152532	76076	102035	358393	137761	201241	148616	295929	201119	155603	221091	190114	158528	272864	101177	97526	206392	11859	2124	2284	146608	100292	2598	160199	149841	122723	114107	233735	4302	400414	279901	137806	201323	147628	143434	128271	81897	258221	233814	127072	276436	200865	215730	105961	136249	115564	133252	177591	172550	128746	141544	1623	166058	199862	107195	131253	106881	246959	139120	280946	219802	250292	133922	216509	201318	142008	198057	222818	96453	72254	3674	127455	197424	186590	242758	346704	194192	141489	118047	66357	186496	284185	2446	150434	276863	Lipid	0.42857143	1.6428572	0.071428575
8	C14 H23 O6 N1	302.15982	302.1603	0.09177203	302.15985	91533	97858	74204	102401	86706	65507	75469	122265	89709	73110	45800	79372	143975	45607	91793	138015	129120	132015	159668	118913	120343	111565	96342	117822	63527	60103	60751	32747	143174	115943	86209	103178	108325	100866	104008	122757	115172	68260	116475	70778	64792	89478	2838	687	1087	100432	98923	635	117529	120620	95201	91207	80584	1565	164846	105306	56652	105570	75076	80042	141384	45333	108067	104157	53649	98876	68900	105111	66430	64927	57120	96980	105042	126416	100648	110214	645	74772	102483	41728	63380	59116	102624	61535	128982	72387	97086	68825	81459	109275	59620	108634	139657	56329	87996	1757	97779	118736	75450	104780	146204	141814	69437	151850	45935	86717	105606	628	61177	124467	Lipid	0.42857143	1.6428572	0.071428575
14	C14 H23 O6 N1	302.15982	302.16025	0.14182085	302.15985	182852	170803	176277	185320	282117	229666	187936	220986	266205	169992	94038	103852	444994	184347	191875	245350	335334	535982	437694	290810	297545	134605	195416	182577	200880	185060	131916	164617	327311	241050	152097	230218	341398	204988	189431	288298	272411	142914	268356	113746	112511	271684	14165	2141	2413	140838	123532	2642	195392	160679	172970	150205	257790	3507	445726	325118	122051	252830	147750	122568	237404	94680	274300	278434	169329	301212	253482	219445	142533	143472	105575	148552	166753	230485	248373	189123	1582	151712	160950	119591	112811	110432	189381	132146	328056	220476	212631	180920	209287	186791	255159	187382	232386	99678	149035	4211	173446	271997	223038	299911	399883	381240	120850	237821	91786	169535	336036	2825	112688	279409	Lipid	0.42857143	1.6428572	0.071428575
22	C14 H23 O6 N1	302.15982	302.16025	0.24092905	302.15988	22059	13407	18322	17986	9549	5675	37433	9382	3923	27271	32970	7842	5532	474483	6207	4906	13126	6214	13533	22197	9327	9800	12389	6197	4703	8175	106571	40887	9576	6289	2517	5241	7532	4467	5615	10350	8327	9900	9985	10153	11569	13261	0	0	2815	13641	23858	0	4996	9577	21177	20153	7515	2202	5050	39624	41780	15825	16773	39500	80885	23688	80624	9681	280189	5585	26189	8978	30980	39774	39556	2705	4579	8352	6823	9856	3039	2756	4706	30591	4410	29813	4319	2302	8253	4088	4956	6392	6663	16471	28264	22633	18316	8399	16340	0	15530	21237	35270	7404	7524	15681	5592	40100	13402	7037	4849	0	4156	29065	Lipid	0.42857143	1.6428572	0.071428575
0	C14 H23 O6 N1	302.15982	302.16043	-0.008690162	302.15982	13347	11063	12788	12997	8805	57955	7195	18974	11165	6114	2569	9323	13298	4637	6492	3407	10405	19749	15496	12674	18134	15187	9138	9252	5849	3072	2331	0	28792	9178	18229	27184	58666	20311	16260	20134	24223	6503	13623	7929	7007	56592	0	0	601	7526	5416	316	26910	10058	12755	10605	14013	541	25228	6084	6468	27622	10258	7214	7737	3382	13774	11319	14010	14334	28197	14293	4787	4389	4402	15041	23753	19132	0	26823	453	10727	6319	0	6023	4269	4569	2491	8786	6994	7755	11836	22166	10494	0	11257	17374	5699	2277	0	11819	10310	5703	6719	9615	18784	6118	14681	5187	16646	7900	0	4896	21869	Lipid	0.42857143	1.6428572	0.071428575
2	C14 H23 O6 N1	302.15982	302.1604	0.22558117	302.15988	100888	104362	90520	92196	84312	327112	45520	116226	42560	33736	14492	60994	71568	69028	28354	26515	71732	68178	66900	40703	94786	121150	68070	72284	37480	5278	11939	0	138134	86080	119144	136948	165398	107644	99604	109654	142042	45122	86254	69916	50468	57523	675	391	621	57452	46478	0	134826	66500	93820	101972	82146	458	106748	50622	34666	145218	50020	44576	63894	27726	130906	99384	22135	56036	104660	108998	11689	42392	17692	88608	106458	104876	28478	105612	533	66906	53972	0	36402	12828	14467	8940	32017	21981	64060	110652	118184	127260	91106	121708	143770	32910	41782	638	101284	99338	44038	71772	67654	103400	63514	93828	32270	111156	28260	390	37416	190166	Lipid	0.42857143	1.6428572	0.071428575
10	C14 H23 O6 N1	302.15982	302.16028	0.1129864	302.15985	158404	135548	152231	149200	156483	121888	153608	213382	148017	121440	67437	132367	254884	117678	143374	238967	210936	272283	282975	187375	183153	137064	169784	192158	144516	130172	109109	63313	237767	197746	142151	179339	207357	174596	132088	218240	187647	110868	180125	103886	96307	173525	11505	1344	1670	150324	128866	1009	188410	175377	154972	149779	146854	2978	276402	196867	89401	221797	127514	133376	230868	65129	169610	162019	97464	189975	139877	184020	100734	114929	94260	148875	157121	205469	169744	160793	832	107124	152796	79662	113560	92317	244770	138898	219058	139305	173732	128054	144501	153907	117623	162253	215813	79971	127718	3446	152003	218284	120448	171980	257453	269399	109344	222444	63489	147583	207606	1606	105101	191749	Lipid	0.42857143	1.6428572	0.071428575
6	C15 H19 O2 N5	302.16116	302.16162	-0.26721054	302.16107	113068	131244	117142	108278	103078	75630	82210	130768	122596	115748	60422	73016	212488	65528	100898	144100	104976	165638	177556	156246	146968	287524	108436	141438	77915	43372	73814	50094	133866	123406	116542	127254	164118	123802	162970	141096	156098	78020	117534	74618	93286	80786	2422	1138	1612	104916	115192	1264	145530	112968	120924	120958	93220	2098	208218	125748	57154	145622	106322	137406	148248	60764	168434	116416	149504	135794	84632	112572	62572	73912	87370	99818	109942	130034	72546	98324	1254	73468	89275	53124	81818	88098	97670	40258	124578	88002	114746	73560	97374	271481	112748	364412	420869	66986	94492	1990	121442	122434	74780	103782	147836	172424	70602	262356	60218	138083	119090	794	79310	207984	Peptide	0.13333334	1.2666667	0.33333334
10	C13 H23 O5 N3	302.17105	302.17136	0.17473118	302.1711	0	2077	1130	1288	1113	1514	1211	0	848	0	1305	924	0	0	0	0	1616	0	0	0	0	2303	899	1581	0	0	0	3492	0	0	0	1437	1229	0	0	0	0	1302	1291	0	0	0	0	0	0	0	2124	0	1511	0	1503	1086	0	0	0	0	586	3200	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1367	1243	1274	0	0	0	5182	0	685	0	0	0	886	1711	0	0	2848	25567	4510	2332	2026	0	0	2766	1829	0	0	1345	0	1328	0	0	2412	0	0	1665	0	Peptide	0.3846154	1.7692307	0.23076923
2	C13 H23 O5 N3	302.17105	302.1717	0.30815062	302.17114	67444	66843	61302	56709	17565	45435	48514	140330	20179	48826	39913	59885	21941	10782	66030	123590	80280	40561	36821	74961	65135	52368	56349	276608	56416	30437	48087	127068	102343	103489	92115	105722	92147	85380	55613	109790	88066	55961	90331	52161	32876	30704	0	0	0	46611	32176	0	118234	120588	59070	65751	24026	0	25109	10063	16025	96802	8591	8812	85225	22709	21904	20785	20701	27166	37345	99147	21216	35194	36200	107652	102062	119144	109419	88582	0	62099	50094	302121	45764	10744	15111	36965	13461	18715	51099	31221	41620	107659	351709	172295	127426	67303	61101	0	65506	72868	14404	10141	12074	88619	54791	77530	17617	85058	15226	0	53095	31822	Peptide	0.3846154	1.7692307	0.23076923
6	C13 H23 O5 N3	302.17105	302.1716	0.29538706	302.17114	23269	21934	24596	22761	12124	11134	21494	31559	16983	11724	16857	15646	10237	4263	22107	32148	31198	14319	15842	4975	3688	16241	18003	27685	17474	0	19545	39759	27101	30622	25773	32858	28467	26457	9583	30755	26657	19097	38754	1550	1057	8410	0	0	0	8467	1544	0	27531	28450	25797	23878	9734	0	14415	2894	7179	27109	3376	2572	31018	0	4803	7621	6675	13759	10456	30401	0	2397	0	20510	24400	31947	15891	25380	0	18255	12827	37343	12271	3296	3189	0	9470	15111	21429	12039	11421	33655	281625	83165	39242	14237	8392	0	24442	21813	8918	4735	5494	28155	16677	5715	0	25246	16586	0	17882	11535	Peptide	0.3846154	1.7692307	0.23076923
0	C13 H23 O5 N3	302.17105	302.17166	0.06789264	302.17108	17880	19978	21228	18492	22241	30430	10739	30430	28917	4959	5416	13691	26010	7732	17079	10332	24783	50867	29138	6994	11973	21437	25076	25332	17697	0	2945	27711	42792	15091	31888	20410	64551	25160	12836	26023	32907	22297	30596	4955	2857	21506	0	0	0	9134	2352	0	28949	13094	18385	16659	29337	0	25221	9224	11342	38974	7016	4658	19686	1253	22464	20906	21256	34704	47964	28458	1195	2379	0	27326	29691	19599	2273	22491	0	20042	14348	71389	14119	2183	4723	0	15132	17407	17327	25497	29824	31918	114909	54951	36919	13539	0	0	20901	23547	13089	9913	15250	22796	17154	8488	2376	37125	25736	0	13163	45300	Peptide	0.3846154	1.7692307	0.23076923
8	C13 H23 O5 N3	302.17105	302.17154	0.27442068	302.17114	3061	4069	4646	6225	2118	2213	1767	2287	1207	2623	3970	1091	1693	1399	2900	5303	2011	2805	2831	915	778	4590	1583	3983	3133	0	2636	14596	1217	2098	1782	3110	4791	3995	2451	2093	4643	2021	2694	0	0	1596	0	0	0	0	0	0	3400	2126	4499	3408	1646	0	1600	596	1077	5023	0	0	4205	0	1771	776	0	2970	1785	3275	0	0	0	1709	2530	2138	1185	1877	0	2430	1479	16939	728	0	975	0	831	0	3473	1938	1656	4217	77637	26110	11402	5610	3477	0	5303	3267	1083	822	0	4123	2085	2534	0	4153	0	0	3096	1365	Peptide	0.3846154	1.7692307	0.23076923
8	C18 H23 O3 N1	302.17508	302.17557	0.12654561	302.1751	58609	54634	42423	54373	15764	18812	27550	54999	12279	151863	97720	43125	9217	14617	25810	59563	41847	17292	32994	182215	189100	37881	26809	45908	21978	173504	43943	88963	41280	43041	39157	57346	52129	43029	184264	40555	57323	28903	53827	84296	57711	21289	0	0	0	37622	52375	0	62241	56231	47779	49461	19031	0	14295	5647	11629	50011	0	9904	60891	34124	11908	11526	10497	17004	23198	65447	103584	192292	217009	48046	48531	35344	50616	46479	0	40239	23194	37901	23152	6073	4605	71954	6602	6998	25063	22022	23481	64134	48336	11135	65308	50445	99074	0	50689	46554	10479	3343	8266	59444	35789	37580	10631	38858	7729	0	20754	13029	Phytochemical	0.16666667	1.2777778	0.055555556
18	C18 H23 O3 N1	302.17508	302.17548	0.20144822	302.17514	28184	27174	27495	30071	10054	8293	17173	24460	7226	43826	38826	18378	6631	6873	13787	34546	36365	8778	20332	55578	62023	27523	14150	28277	13811	95493	16558	40981	16650	18061	16714	25825	25831	18048	37884	20749	28935	10404	31118	44493	74084	14064	846	0	0	21721	35260	0	27715	18275	27865	24336	15806	476	5994	6466	8130	29555	9332	31885	26456	26638	7679	5343	8399	11180	15755	41958	86402	84554	132715	17862	18710	21758	30383	17456	0	10598	20107	38599	15687	19267	18072	37516	7581	7465	23693	15507	14819	55626	33815	28489	35088	30631	47599	0	28461	21849	7201	7740	5921	22558	10360	20611	13799	21205	6744	353	22493	8690	Phytochemical	0.16666667	1.2777778	0.055555556
12	C18 H23 O3 N1	302.17508	302.17554	0.16905919	302.1751	17562	21456	27000	18774	7646	4600	12968	20537	5152	49224	32727	12347	4632	6084	11215	22035	20817	5236	10068	59569	69843	16431	11930	24786	8912	83428	12738	26677	15159	17525	13349	23420	22659	19565	57060	21304	24807	10048	24214	35900	47861	8434	0	0	0	14188	20668	0	25840	19885	25444	19645	9245	0	6486	3161	4506	26030	0	11208	0	18245	5472	2158	5197	6823	8651	25083	43137	90914	107081	17546	15894	13817	23491	16590	0	12350	8831	16069	9022	5520	4886	28721	4215	4644	17385	9425	8355	47307	35933	9703	33011	18227	41663	0	18523	25126	5851	2000	0	22912	8420	14759	0	19456	3022	0	12724	3432	Phytochemical	0.16666667	1.2777778	0.055555556
0	C18 H23 O3 N1	302.17508	302.17563	-0.121266015	302.17502	5982	6280	6630	5729	0	0	9216	25536	506	1518	2071	10982	0	0	15288	24186	9515	0	0	2120	3614	1679	10073	16733	3866	1873	4579	0	7419	6472	8300	7573	4044	6491	3196	7659	3982	17844	11302	1640	2496	0	0	0	0	2907	0	0	12845	27612	5771	6041	0	0	415	0	0	12774	1324	2817	26031	1363	0	0	1799	0	0	16294	2031	1869	1706	16858	6877	5712	9679	12275	0	12299	7433	0	13498	911	4740	0	0	1332	3977	0	2943	5050	0	1728	7894	1726	0	0	7471	5298	0	0	0	4230	7705	9991	884	6682	0	0	8438	0	Phytochemical	0.16666667	1.2777778	0.055555556
20	C18 H23 O3 N1	302.17508	302.17548	0.21934217	302.17514	31675	34474	26705	32717	282136	16334	15082	24110	14241	45759	45231	20048	4423	10249	13535	33666	31957	13663	23435	66622	62031	33053	15182	26664	15773	119409	18450	45390	24147	26788	23333	26022	32033	24999	43521	24188	31347	18219	28668	60213	96863	21568	19439	5114	4636	28982	43648	0	31148	26194	34876	32149	149806	9463	5844	6379	12118	28044	17179	37637	28993	31883	17314	8004	9618	15710	18425	34452	89640	75471	155915	22561	23626	25460	34052	21147	390	16643	18262	45857	15481	23924	19644	42791	45465	9985	23032	25085	20931	48700	47012	37608	36085	38577	40982	14734	30284	27737	12726	10849	13277	34571	15040	36403	21797	29284	8574	0	19768	22397	Phytochemical	0.16666667	1.2777778	0.055555556
14	C18 H23 O3 N1	302.17508	302.17554	0.19760317	302.17514	17479	19136	16365	18852	6424	9202	11434	15044	6482	40962	38073	12561	3170	5862	8119	24629	23803	6436	9679	46218	64569	21034	5775	14620	13147	71847	16202	40105	15919	11473	15070	16426	21733	14040	52599	15802	12723	9604	24885	44542	50378	8915	0	0	248	12860	27834	0	19177	16536	17083	19146	8515	0	4903	1309	7334	22040	0	16707	0	16340	2846	3194	3540	8168	11290	26329	42934	70902	109381	11962	10140	11372	15950	13400	0	9291	13554	16034	14520	9454	10740	37044	4788	0	15967	12653	9530	51741	27587	13903	29924	13337	37837	0	20340	17751	4021	3865	2022	14576	10181	19086	0	20094	2609	0	17242	2225	Phytochemical	0.16666667	1.2777778	0.055555556
10	C18 H23 O3 N1	302.17508	302.1755	0.1272867	302.1751	31517	33991	31216	29298	15477	12813	18603	29445	8298	97875	58223	19343	7785	8170	17327	39139	25339	9128	19759	105069	114527	24790	14523	32228	16723	112165	26585	56066	27385	27682	24816	27703	40191	28073	98965	29374	43705	16951	35142	61661	45783	11445	784	0	0	24804	29037	0	39297	28753	31372	33866	15040	0	11660	3380	6644	40823	0	13305	32462	22346	11191	7496	6356	16129	13723	45328	74705	140986	140577	31676	30367	23855	30320	25783	0	19262	19550	32588	18537	3861	2847	43894	6655	4427	17182	13095	16008	57124	62472	8428	52073	31903	70596	0	33801	30896	5960	6861	8531	41106	18295	23152	0	29814	6289	0	16537	11068	Phytochemical	0.16666667	1.2777778	0.055555556
22	C18 H23 O3 N1	302.17508	302.17548	0.20554528	302.17514	31472	33697	23521	31761	24460	14813	11206	23482	11058	69764	80499	13480	9087	10864	12499	24352	23775	12909	13007	78216	81547	38468	14829	30427	14265	108987	12697	80859	27172	21167	17506	22080	22912	23481	51372	21601	24538	13035	22596	51699	75638	14388	0	0	462	29107	36428	0	26172	20397	28349	24558	18347	1220	11039	5991	9526	29232	13655	30720	27688	45167	12221	8079	6631	16662	19710	29419	85631	96648	114078	22276	18565	15603	15439	19315	468	12144	10565	46887	11462	18350	18687	43307	10113	8131	13957	22222	15262	35582	40431	38923	29663	45129	45561	0	22799	26071	16428	9377	8955	27481	11745	31501	23324	26229	12465	0	15680	8327	Phytochemical	0.16666667	1.2777778	0.055555556
6	C18 H23 O3 N1	302.17508	302.1756	0.09700636	302.1751	80878	78184	72902	73986	17444	25836	70117	109369	9835	176574	87819	64045	8867	10290	53936	137588	72510	21661	35890	196799	199825	79063	44411	109281	47556	192599	91208	76696	82874	84850	81060	102777	110085	83071	184819	84346	104669	55070	99088	97046	48845	28048	0	0	0	66095	67558	0	115376	99170	80107	79174	21020	255	15166	4700	13090	138120	0	6143	146365	51346	12639	11024	12759	19995	36005	119170	117881	211047	245047	85721	85849	80109	85706	80172	0	58182	36644	44151	40510	8985	5776	86420	9771	11459	43290	33137	31996	185037	72321	14959	150089	66133	148023	0	74639	66861	7759	4031	4835	96613	55994	58795	19538	122333	6402	0	45799	12068	Phytochemical	0.16666667	1.2777778	0.055555556
16	C18 H23 O3 N1	302.17508	302.1755	0.2122471	302.17514	21271	24818	22085	23678	6840	7171	15073	17151	6205	48021	32355	12463	2938	6276	14388	26391	27852	8625	10983	61835	68232	30733	9330	27952	11177	83089	16345	32020	14103	17856	22411	17654	23245	14545	52545	16509	17299	10000	30318	42931	76521	10770	397	0	0	18916	31045	379	21124	19890	23757	21936	8195	312	3666	4185	7390	20536	8153	28906	15388	25531	5291	6948	5381	6808	11933	37776	70016	77954	103808	15392	13627	9544	22286	21477	0	12311	11567	33752	11282	10912	15147	39135	6478	4403	17277	11156	9988	51248	29638	26039	42149	34350	40943	0	22789	22830	5247	5473	7589	17049	9592	19802	13234	20206	5127	0	17873	6721	Phytochemical	0.16666667	1.2777778	0.055555556
22	C15 H27 O3 N1 S1	302.17844	302.1789	0.38108423	302.17856	1639	2834	2212	0	0	0	0	0	0	0	0	1609	0	0	0	5187	1573	0	0	0	0	5508	4772	51675	0	0	0	0	1938	2363	0	0	0	0	0	1181	0	1068	0	0	0	0	0	0	0	4456	0	0	0	0	2309	1439	0	0	0	0	0	6761	0	0	1652	0	0	0	0	0	0	2683	0	0	0	0	1290	0	0	2017	0	0	2918	3402	12120	1216	0	0	0	0	3372	5170	2561	27254	0	0	9372	0	0	0	0	1843	0	0	0	0	1003	0	0	9121	0	0	0	0	Organosulfur	0.2	1.8	0.06666667
24	C15 H27 O3 N1 S1	302.17844	302.1788	0.2750379	302.17853	19981	23979	22169	24255	0	8125	11129	104636	0	0	2147	31371	0	0	14101	58423	105758	0	1709	0	0	11697	25985	107533	8856	0	4662	11971	57600	67488	34970	107795	48087	123465	0	85390	32421	13042	67613	0	0	11816	0	0	0	10390	1240	0	64653	66392	19708	23109	3033	0	0	0	861	438103	0	0	103296	0	0	0	1884	4444	14243	95348	0	4475	1808	63471	112333	96277	22488	63584	0	23799	23679	4643	24225	4041	0	0	0	0	15764	27716	36741	147328	3748	1475	57625	1772	0	0	19350	22133	0	0	0	33889	23686	0	1850	96646	0	0	24200	0	Organosulfur	0.2	1.8	0.06666667
20	C15 H27 O5 N1	302.1962	302.1966	0.191732	302.19626	25207	29231	28575	24318	33049	27686	58722	26047	19231	12883	12660	31300	39819	322032	48564	33350	27335	45338	44839	12759	13274	9901	85936	26231	27624	7547	49876	23648	32403	28269	21665	34796	36347	39106	7076	30455	31171	40785	26486	4903	7014	28726	15821	2191	1704	14510	12605	2777	27206	22184	30123	30477	27336	4931	33714	22546	19824	33600	13279	15749	40043	5087	88408	19173	63013	43852	47852	26946	6688	6059	4045	21294	32118	30105	34723	25471	1178	34238	32345	43998	191174	15709	40143	26885	31611	26816	30462	24669	29218	28340	59672	40184	26754	11158	17619	2301	33597	28663	22898	27625	43865	40374	27508	23732	20996	20584	26842	2798	41224	35502	Lipid	0.33333334	1.8	0.06666667
10	C15 H27 O5 N1	302.1962	302.1967	0.15040296	302.19626	24270	24603	22924	19525	11948	8225	20068	18617	8244	5511	7075	11688	15824	7638	22943	21324	16196	11051	11705	9972	9482	13989	19308	15935	10851	6004	11119	10578	46065	65663	0	61277	15105	47260	11465	65950	11640	46790	12435	4505	4731	9638	1073	0	0	6010	9584	0	62073	31092	25519	24082	9938	378	10678	12687	12424	21319	4295	4204	22627	2849	6765	5188	47647	9669	10663	11670	8624	5096	4577	28688	161492	230696	95223	104419	0	11240	13915	12953	14453	5134	5703	3952	15265	9194	15703	4891	7519	22528	24953	18475	21413	8999	12838	0	24787	25262	7567	17257	22497	14041	11634	13017	0	12210	13192	0	21884	7363	Lipid	0.33333334	1.8	0.06666667
14	C15 H27 O5 N1	302.1962	302.19666	0.18686931	302.19626	14983	22806	20410	17085	18013	19480	71013	24219	10995	2974	5291	8049	26027	78349	12385	31853	33465	15205	20121	10705	12407	6689	19473	20539	16414	55691	79331	9383	30635	26046	10428	19270	25897	12860	4222	26688	16076	9127	29633	2703	5840	23904	4562	1565	890	13072	13909	1198	16935	21450	12665	16014	16299	1723	20758	31674	19949	19048	5389	11816	27249	4925	26095	9587	71714	22813	34126	33134	0	5693	8506	11761	19874	25966	32081	18666	887	14106	15341	28640	7935	19066	167626	157999	48662	26135	25348	9465	14903	28486	24726	18486	32237	14338	14261	1411	21545	25413	18396	40387	56057	22681	6258	14054	0	15128	27649	1196	10867	13282	Lipid	0.33333334	1.8	0.06666667
4	C15 H27 O5 N1	302.1962	302.19678	0.137462	302.19623	19776	20493	18086	17119	12065	8969	23145	24386	8619	12057	22770	11644	14604	11201	23723	21957	27105	12469	14267	13923	11354	18775	13691	15123	27185	14257	36583	17172	32433	16471	25586	21669	24086	13850	23347	20622	26433	17483	28837	9264	14050	7834	0	0	0	10315	10142	0	26525	20122	21298	17871	11244	0	13026	10499	5989	28078	4924	5030	25035	5795	13417	8446	46208	13949	10506	28011	29970	11718	17153	16846	15702	24156	11810	19436	0	18587	15811	26749	8710	13304	6724	7587	7144	8718	37322	6958	9691	28307	98684	84854	27782	12789	14254	0	19161	19830	9595	8824	10271	18771	16263	16622	9788	24345	10108	325	15627	19133	Lipid	0.33333334	1.8	0.06666667
16	C15 H27 O5 N1	302.1962	302.19662	0.18863562	302.19626	30104	36473	35355	34652	32183	26659	131838	43539	12873	12700	15651	26533	29796	75644	26414	68294	164925	31287	30543	14236	17089	12042	21928	24207	23710	45912	122023	21073	47515	53112	35061	50032	91804	45907	14233	55627	83167	19481	154347	5771	11251	38135	10688	940	683	12589	20286	991	47348	36052	42209	36307	28362	1809	23955	28516	19699	44602	6822	19180	48457	6230	29194	15013	52884	44358	50297	125278	3997	6872	8494	38320	47995	50526	83457	53114	600	20736	22296	31326	15102	15657	160940	157390	33951	30442	27703	33405	32576	46096	34326	25591	0	7733	16200	1597	37088	42610	21140	33261	59667	93382	20402	20210	6339	29753	32504	1115	25914	20246	Lipid	0.33333334	1.8	0.06666667
12	C15 H27 O5 N1	302.1962	302.1967	0.18225688	302.19626	10484	11691	13809	9849	14714	11233	20955	27238	8347	1609	2394	9999	15964	15833	12700	12741	61860	13638	16796	3841	8837	7331	15326	8066	16080	10285	6735	0	24398	9257	13680	20599	36919	17563	5485	16813	25803	9504	62330	5495	3763	10273	1284	683	407	7198	8637	0	23263	13462	10114	11075	13817	810	13145	18391	6204	19800	0	10035	0	3688	16164	9009	20053	19103	18087	62308	0	5048	8072	13615	16539	18405	24963	14708	224	11785	12718	0	13363	8531	28037	26814	20712	13612	19787	7149	12863	33379	20248	10795	23081	7523	2868	546	8795	14377	9685	19603	34159	10104	11045	2726	0	14610	19065	0	15368	10984	Lipid	0.33333334	1.8	0.06666667
6	C15 H27 O5 N1	302.1962	302.19675	0.16471429	302.19626	38068	40926	37525	39145	10763	10768	31162	80887	10305	16989	13879	34000	17161	10651	50634	66391	65968	16273	18053	20129	15850	21670	34289	38820	25681	7275	35664	10795	42137	77916	61041	81661	56297	66041	23859	83740	53539	41103	97025	6921	13529	14602	0	0	0	24605	45262	0	100570	84544	40584	43249	14765	0	13141	11093	10595	59017	4099	10294	69417	5399	17898	8622	31969	16716	21373	150384	13447	11317	14142	70796	162404	232881	41678	95386	0	32573	33564	14583	29762	20248	10846	5180	9112	12231	51154	18174	19319	47514	72360	52934	42598	11640	17170	0	37236	40021	8106	11020	12326	52819	29622	30285	14111	46348	11130	0	34101	16475	Lipid	0.33333334	1.8	0.06666667
8	C15 H27 O5 N1	302.1962	302.19672	0.14642815	302.19626	22807	16218	12242	17260	9268	10187	20916	24924	9392	8356	8751	9837	16132	9204	37413	21973	13027	13839	15658	14690	10195	12642	12729	16307	14621	5978	20556	9105	26661	19520	15832	20954	24412	20251	19117	27783	21386	15584	14501	9660	8227	7466	0	0	0	12491	9286	0	23611	26273	14523	14804	10168	252	13275	11937	7469	20223	3294	5289	22138	5330	11579	8190	30057	12784	9491	15154	14683	8502	8172	13479	20231	64269	11962	19166	0	11322	12184	12587	7004	6614	5795	8098	11410	10165	16979	8352	9201	22049	32926	23727	26628	10464	11090	0	14736	19707	7964	10755	14677	23067	11180	13126	6929	13163	9783	0	11763	13870	Lipid	0.33333334	1.8	0.06666667
0	C15 H27 O5 N1	302.1962	302.19678	-0.067777425	302.19617	4304	3867	5198	5602	1986	0	4398	7351	1992	3097	2475	5210	1743	0	4413	2048	7253	2418	1894	2826	5655	6823	4575	2952	8576	71599	1534	3572	5811	1732	4984	4528	6972	5899	5256	6166	6126	4367	8285	3693	3934	2740	0	0	0	2414	3251	0	7610	4550	4376	4988	1852	0	1930	1526	1857	10065	3035	4436	4902	2872	0	2123	1970	1614	2983	7565	25930	2668	3305	5889	8344	2982	0	6763	0	4263	5048	214141	1916	2522	3780	1414	1642	2298	12917	1877	2756	15655	6082	10860	13043	6512	3100	0	5318	4625	1182	1536	2231	3819	2270	2950	2711	5863	1714	0	4163	2826	Lipid	0.33333334	1.8	0.06666667
28	C15 H27 O5 N1	302.1962	302.19653	0.31599486	302.1963	5092	6046	4074	6222	1535	1689	3734	0	891	844	3006	2469	0	4122	0	3111	10543	3339	3096	0	0	2451	2782	4188	0	0	7070	1562	6239	2390	3403	10790	34433	8212	3131	3075	15790	3633	18755	0	1542	4578	1347	3482	3523	0	0	3293	6689	0	8561	6427	6964	0	0	0	2637	9237	1747	0	6982	0	2902	1798	3360	6751	3733	29413	0	890	1202	3960	5454	3059	7352	8532	0	2254	2545	0	4624	2278	1810	2023	0	0	2487	4514	9357	4339	4458	3658	2273	0	0	2018	2751	4373	2542	1333	2532	18414	5456	0	0	4581	1115	1151	3124	3640	Lipid	0.33333334	1.8	0.06666667
22	C15 H27 O5 N1	302.1962	302.19656	0.16633743	302.19626	20815	19705	18721	18244	25341	15981	18519	39094	16604	11164	7923	10200	22912	69434	16431	133165	23041	20617	20127	14160	6035	7118	11677	22867	13836	3336	16338	18922	22709	41066	21497	26956	20039	34594	12742	42831	21598	15505	20145	6701	8372	24434	20111	6329	7307	26339	22867	3955	24474	30211	21141	22292	20130	8580	23446	20348	16149	30687	4786	11922	33115	4740	55427	15529	29102	32101	25243	20102	2843	7662	5498	22828	27394	39422	36278	31335	2117	8908	11367	25556	5898	9099	10756	7784	18176	13525	17517	16975	18848	18533	52649	44008	21145	12905	21576	6881	11465	23962	14273	18358	20441	29313	11108	18666	32358	21787	20027	5279	13586	21650	Lipid	0.33333334	1.8	0.06666667
2	C14 H27 O4 N3	302.20743	302.208	0.08330618	302.20746	33423	32879	33513	34027	13416	58856	2184	7664	5649	4158	22763	3675	10546	6004	5127	4938	3647	14983	8291	1119	952	6723	3192	7664	5098	0	6799	610480	8075	3608	8316	5494	13670	6747	2179	6574	7591	4077	5202	880	1148	7596	0	0	0	1898	992	0	5917	4474	32621	32316	9095	0	5432	2184	2457	9867	0	0	6278	323	6613	4635	9449	10886	6005	6633	0	1172	0	4831	4994	5370	2216	3678	0	4022	5040	2891844	6515	0	508	313	4471	5840	8209	7061	6292	14915	1557775	1088222	11916	385546	6312	0	34361	33733	5442	2983	4970	5510	4744	1925	0	7883	5841	0	4879	12980	Peptide	0.2857143	1.9285715	0.21428572
6	C14 H27 O4 N3	302.20743	302.20795	0.24513358	302.20752	26243	22913	28969	21888	1193	19643	1495	3164	1084	3326	19764	947	2334	769	3860	3992	0	3942	2589	0	0	2151	715	2048	1142	0	1704	395425	5658	1943	3152	4527	5357	2794	1212	1752	4192	3468	1932	0	0	7430	0	0	0	0	0	0	4023	847	30262	19220	1049	0	2715	962	799	2430	0	0	1884	0	2005	1709	1372	2146	1684	2185	0	0	0	1333	5041	3632	1817	3078	0	1587	1424	1878044	869	0	0	0	1652	1254	2464	1923	2152	2708	2353137	1234375	3416	117150	10965	0	32034	32381	2382	818	1642	3522	1836	3179	0	2319	1505	0	652	3107	Peptide	0.2857143	1.9285715	0.21428572
10	C14 H27 O4 N3	302.20743	302.20786	0.21821447	302.2075	1482	2623	0	0	0	0	0	0	0	0	1700	0	0	0	832	2146	0	0	0	0	0	0	0	0	0	0	0	9830	1182	1177	2719	2044	0	0	0	1484	0	0	0	0	0	0	0	0	0	0	0	0	1499	0	0	2383	0	0	0	0	0	4468	0	0	0	0	0	0	0	0	0	0	0	0	0	1756	2515	1374	0	2500	0	0	0	31189	0	0	0	0	0	0	0	0	0	1637	118699	54098	2550	2968	0	0	0	0	0	0	0	0	0	0	0	1273	0	0	0	0	Peptide	0.2857143	1.9285715	0.21428572
4	C14 H27 O4 N3	302.20743	302.208	0.18857655	302.2075	19166	23178	18922	19844	3392	12749	1315	1686	624	0	7522	1021	3113	1870	1108	7500	2678	3477	2585	0	0	2677	1236	5544	2802	0	2681	152135	3711	1487	1802	2736	4731	2504	984	3524	5071	1309	5488	0	0	3145	0	0	0	0	1479	0	2958	1605	19563	17956	1379	0	1462	869	539	5598	597	0	3377	0	2831	1291	1959	4029	1518	2900	0	0	0	1406	1908	1713	1553	1584	0	1796	1486	1489501	867	0	0	0	757	1569	2897	1613	1974	5029	826291	329822	5776	129314	8069	0	17815	18501	2680	998	1477	3340	2067	1776	0	4456	1317	0	1262	4615	Peptide	0.2857143	1.9285715	0.21428572
8	C14 H27 O4 N3	302.20743	302.20798	0.3369427	302.20752	60354	65306	55254	66031	1120	8167	0	7560	927	10486	37731	685	0	0	0	0	2414	3490	875	15455	0	0	0	6502	0	0	0	254309	2528	0	1241	3773	2752	2066	4463	2026	2872	811	3302	0	5235	4668	11997	0	0	32078	27345	0	0	5667	48469	59058	0	0	1293	0	806	5151	18915	11608	36161	24806	7259	1829	0	1273	1962	3925	38132	23581	32484	3703	2889	1863	1246	1379	268	1101	0	2177489	0	859	876	0	0	0	0	3164	909	2288	3449513	1227318	2152	374987	37960	0	45289	45335	11125	0	0	2100	1821	30833	160529	2786	0	0	0	0	Peptide	0.2857143	1.9285715	0.21428572
12	C14 H27 O4 N3	302.20743	302.20782	0.26243222	302.20752	0	1774	1500	0	0	0	0	0	0	0	0	0	0	0	0	1661	0	0	0	0	0	0	0	0	1190	0	0	0	1815	956	2763	0	0	0	0	1286	0	0	0	0	0	0	0	0	0	0	0	0	2515	0	0	0	0	0	0	0	0	3803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1193	1999	0	1274	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61237	7745	0	3143	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.9285715	0.21428572
8	C19 H27 O2 N1	302.21146	302.21198	0.10237908	302.2115	42729	40547	36720	33955	1613	4440	21196	39754	0	19089	18466	23781	0	1881	17743	57518	18985	2532	6027	31922	23092	3047	14432	51429	21482	9387	48431	14586	31660	30736	39758	42627	85811	29300	24201	33173	79622	22953	22500	15209	1099	7464	1361	0	0	9141	9114	0	55772	35746	32318	38240	28401	0	847	0	8805	141843	1108	0	56305	4415	1252	1060	8391	13885	7664	89596	5842	12956	10741	51330	40520	33956	56963	45452	0	22635	16730	7933	23225	0	0	14870	0	0	30221	9397	12808	37681	20645	0	68277	10629	28326	0	34191	25225	0	0	0	74910	54040	9479	7645	35788	0	0	31516	1197	Lipid	0.10526316	1.4210526	0.05263158
24	C19 H27 O2 N1	302.21146	302.21182	0.23074856	302.21152	7391	8964	8835	10332	3347	1599	2880	9370	2154	2610	5608	4758	0	2004	3966	16202	7326	1430	3577	6821	4336	5774	2545	9192	10064	30126	3497	8222	7945	11661	7619	7248	4858	6707	2781	10193	5226	3016	7471	8150	17002	2549	0	0	0	6037	11839	0	10327	9781	7340	5553	4102	0	3063	2058	2426	12943	3754	7841	15605	4190	2409	3041	1876	2454	3542	7026	20063	9234	20896	6881	8026	8647	7474	7868	0	4760	10520	11812	4457	7386	5201	9439	4346	0	15977	4895	3397	56298	11957	8877	12546	11032	8825	0	5605	9168	4445	3022	4745	10196	4374	14101	7665	11422	3435	0	12042	2302	Lipid	0.10526316	1.4210526	0.05263158
10	C19 H27 O2 N1	302.21146	302.2119	0.17652874	302.21152	21033	17046	24079	18801	1937	4015	22365	35773	1178	19582	13759	18574	0	3922	13839	47138	13588	3618	8329	41276	28500	4510	11865	40125	16651	18519	49543	15239	27980	30504	26169	37336	28005	27462	23842	23597	39307	12632	13494	20973	0	7965	0	0	0	10428	9453	0	35959	25255	20213	21636	5669	0	0	0	3342	47396	0	0	56320	4678	0	882	4829	2217	7618	35709	9896	23958	18444	29257	27205	28383	24999	28147	0	18772	9380	6094	10655	0	0	12539	0	1308	8033	8813	12070	129507	34173	0	58088	11758	33429	0	20082	18359	0	0	0	33478	15278	7281	0	38675	0	0	12580	1551	Lipid	0.10526316	1.4210526	0.05263158
22	C19 H27 O2 N1	302.21146	302.21185	0.20695148	302.21152	5258	4956	3850	5748	2712	2096	3037	3240	3028	4049	6786	2828	3708	0	2196	6781	6457	0	3119	2676	3640	5157	2535	3844	7038	20783	3093	4215	3820	5203	4127	0	3301	6377	3729	2934	3591	1830	8373	9068	18071	3062	0	0	0	5213	9329	0	5484	4104	5478	5217	4692	0	3803	0	0	7644	1870	7449	7777	3701	0	1669	0	1550	2291	6508	19592	11205	19973	2744	4058	3049	8036	3463	0	1298	4843	10179	1302	4379	4643	5274	2024	2306	10529	4028	2428	27138	10623	5274	6226	8301	7725	0	6162	6484	2899	1569	1586	4872	2232	5899	5072	8739	1732	0	6487	3297	Lipid	0.10526316	1.4210526	0.05263158
6	C19 H27 O2 N1	302.21146	302.21194	0.11325015	302.2115	135249	147605	137640	132669	4144	10065	108681	497186	719	16854	25484	356357	0	649	193252	1570460	200430	5826	11132	30606	29482	3837	94932	263329	650122	5354	161979	16191	145482	172039	431523	102538	364604	95551	15692	118938	375894	176314	142124	10033	0	25406	0	0	0	16945	10153	0	482326	279601	130175	133145	173891	0	933	0	29992	689821	0	0	1477945	2080	0	1809	44695	49715	27549	292834	7674	32040	8699	380890	113491	162917	181559	85881	0	384927	137599	43601	92420	1153	0	10112	1187	10734	146825	20850	39720	61811	69081	0	91756	16368	38346	0	126697	137438	2441	0	0	332019	297873	7656	32288	395206	0	0	329891	5164	Lipid	0.10526316	1.4210526	0.05263158
4	C19 H27 O2 N1	302.21146	302.212	0.10129741	302.2115	5911	5451	6881	5451	657	801	6058	21309	0	3956	3021	10477	0	0	13949	18186	12691	995	1462	6908	7184	2182	7753	14818	10303	846	8538	0	12027	10748	12882	13048	11320	10164	4150	13122	9900	10288	12569	5089	616	2122	0	0	0	2322	2754	0	16379	19076	5892	5960	1168	0	362	0	1281	12100	0	0	12338	1695	0	412	1507	0	1798	13550	0	0	0	12465	10719	14969	12038	9705	0	10109	5887	0	6811	0	0	3200	0	691	4077	2501	2391	13725	5262	0	16672	3445	8787	0	6271	7836	0	0	0	12594	6200	5454	0	10239	0	0	7305	0	Lipid	0.10526316	1.4210526	0.05263158
14	C19 H27 O2 N1	302.21146	302.21185	0.21004634	302.21152	7244	10999	8550	7345	0	1834	4411	12468	0	10574	8693	12963	0	0	8965	6217	5107	0	0	18945	24411	0	1689	3020	5214	21861	13289	13136	15093	33394	15069	22447	25073	23006	15351	36175	19175	12850	2113	6775	0	2990	0	0	0	2074	0	0	18036	17848	7797	11196	1607	0	0	0	846	14005	0	0	0	0	0	0	1348	0	4089	19967	0	14074	21856	23411	34170	83181	11981	23999	0	13749	0	0	4208	0	0	3197	0	0	3352	2724	4548	18876	12290	0	4628	3206	9720	0	8147	6624	0	0	0	21428	11619	0	0	3981	0	0	1881	0	Lipid	0.10526316	1.4210526	0.05263158
12	C19 H27 O2 N1	302.21146	302.2119	0.15449499	302.21152	11296	10025	15939	11320	1812	3829	11639	37128	0	20448	15356	19194	0	963	15716	39941	9885	0	3684	35168	27486	0	16111	33771	17603	29257	30539	13469	31695	33487	32103	33232	28139	38479	11207	37766	29926	18125	1908	11076	0	6165	0	0	0	7769	16001	0	41824	39278	11514	12079	3466	0	0	0	3025	23252	0	0	28709	1689	1661	0	2877	0	6708	25516	0	23340	19758	39954	44613	42887	32330	34788	0	21477	4800	0	6866	0	0	15307	0	1086	4787	8695	5881	18810	24383	0	21861	6231	22374	0	17409	15905	0	0	0	33304	17118	2709	0	32041	0	0	4483	0	Lipid	0.10526316	1.4210526	0.05263158
2	C13 H27 O3 N5	302.21866	302.21915	0.026345937	302.2187	0	0	0	0	0	26373	0	0	0	0	0	0	0	0	0	706	0	0	0	0	0	0	0	0	0	0	0	46899	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	317	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19811	0	0	0	0	0	0	0	0	0	0	188404	16868	945	0	0	0	0	0	0	0	0	0	429	0	0	0	0	0	0	0	Peptide	0.23076923	2.0769231	0.3846154
4	C13 H27 O3 N5	302.21866	302.21915	0.17775416	302.21872	1158	921	1265	1475	0	55419	0	0	0	0	1487	0	0	0	535	0	0	0	0	0	0	0	0	0	558	0	0	4787	0	0	0	0	1302	620	0	0	1658	0	0	0	0	4102	0	0	0	0	0	0	0	0	779	0	0	0	0	0	0	1741	0	0	0	0	0	0	0	0	309	0	0	0	0	0	0	0	0	0	0	232	0	0	0	0	0	0	0	0	0	0	846	0	26408	36690	0	736	0	0	1768	2215	0	0	0	763	1026	0	0	0	0	0	0	0	Peptide	0.23076923	2.0769231	0.3846154
18	C16 H31 O4 N1	302.23257	302.23285	0.16770755	302.23264	1709	0	0	0	0	3587	1748	1663	0	0	0	0	0	3676	0	1726	0	0	0	0	0	0	0	2516	0	0	1766	1484	0	0	0	0	2058	0	0	1946	0	0	0	0	0	1138	554	0	0	0	0	0	4694	3689	1996	0	0	1342	0	0	0	0	0	3858	0	0	1733	0	1939	3350	0	0	0	0	0	0	1402	0	1381	0	0	0	0	3004	0	2246	2848	2248	0	1983	3101	1512	0	4025	20831	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1104	3793	Lipid	0.25	1.9375	0.0625
6	C16 H31 O4 N1	302.23257	302.233	0.111996345	302.2326	9510	8376	8805	9708	481	683	5458	23903	0	1141	1475	4653	0	500	29315	51854	0	0	1433	0	0	1439	13052	16467	45414	0	6072	3645	22464	46461	26777	14067	6018	8358	0	20250	6899	19850	17165	0	0	1797	0	0	0	1595	0	0	20865	20054	9873	9221	880	0	0	0	1014	51992	0	0	29878	0	0	0	1519	1903	5546	24178	0	3388	0	14097	19604	34774	20593	34991	0	4031	27392	4406	8699	0	306	0	0	1897	116135	904	3240	69100	9924	1026	36912	496	0	0	7919	9060	452	0	0	4393	4282	0	0	35222	0	0	13739	0	Lipid	0.25	1.9375	0.0625
20	C16 H31 O4 N1	302.23257	302.2329	0.24467443	302.23267	0	0	1640	0	0	2017	7627	2233	0	0	0	0	0	5661	0	3422	3315	0	0	0	0	0	0	0	0	0	9524	0	0	0	0	0	3426	1735	0	1835	3026	0	3014	0	0	1779	4475	0	0	1678	2761	0	5104	8011	1578	1764	0	3485	0	0	0	0	0	6498	0	0	4787	0	3831	6483	1855	2148	0	0	0	0	1567	0	2282	2848	0	0	0	10819	0	2305	5481	0	0	2718	1452	2772	0	6091	28289	2689	4921	0	0	0	1540	0	0	0	0	4339	0	0	0	0	0	0	1373	7783	Lipid	0.25	1.9375	0.0625
24	C16 H31 O4 N1	302.23257	302.2329	0.24033163	302.23267	2265	1641	2414	2103	21897	4638	16479	1813	0	0	2342	0	0	14516	0	2056	0	1931	0	0	0	0	0	0	0	0	14803	18831	1881	0	0	7232	0	1175	0	0	0	1888	1154	1042	5863	3134	8174	0	0	0	6706	0	1385	0	3730	2782	2479	0	1599	0	1501	1190	877	4866	2002	1008	5421	0	16336	3726	6195	3137	1255	0	2147	0	0	0	1757	1891	0	0	0	21718	0	3433	6689	5217	1316	21590	1481	62642	28221	1702	59467	38217	0	5188	2845	0	2975	5738	4754	0	0	0	0	1803	10986	0	2316	0	2561	0	Lipid	0.25	1.9375	0.0625
26	C16 H31 O4 N1	302.23257	302.23294	0.28683728	302.23267	0	0	0	0	0	0	4421	0	0	0	14075	0	0	1900	0	0	0	0	0	0	0	0	0	0	0	0	4176	52925	0	0	0	0	0	0	0	0	0	0	0	2014	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2470	0	0	0	0	0	4731	3421	3305	0	0	0	0	0	0	0	0	0	0	0	0	72038	0	0	0	2064	0	0	0	0	0	0	36144	16873	0	12467	0	0	2920	0	0	0	0	0	0	0	20379	0	0	0	0	0	Lipid	0.25	1.9375	0.0625
8	C16 H31 O4 N1	302.23257	302.233	0.16845454	302.23264	20527	18581	21222	20202	0	6642	4186	29207	0	0	0	4392	0	0	11522	133158	55275	3536	3440	1091	0	11568	12366	28957	10817	0	8976	4858	19000	41217	28757	23564	16302	3421	0	16966	13340	12709	58972	0	0	3617	1298	0	0	2529	0	0	32495	33714	16967	18609	8185	0	0	0	6028	107949	0	0	104077	0	0	0	7071	1439	15156	92356	0	3604	0	4782	11456	28579	21482	43685	0	2922	22128	0	7406	0	0	1072	0	4387	130885	7467	19345	207292	22086	0	86227	0	0	0	21696	18305	0	0	0	20656	3176	0	0	64993	0	0	14199	0	Lipid	0.25	1.9375	0.0625
10	C15 H31 O3 N3	302.2438	302.24432	0.27462694	302.2439	0	0	913	0	0	0	0	1159	0	3752	18742	0	0	0	0	1627	0	0	0	0	0	0	0	0	0	0	0	228231	1171	0	2947	4105	5707	3484	0	2334	3590	0	0	0	0	0	0	0	0	0	0	0	1677	1184	1691	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1515	0	0	0	1026	2366	1149	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1546	0	0	0	0	5331	1242	0	0	1144	0	0	0	0	Peptide	0.2	2.0666666	0.2
18	C17 H35 O3 N1	302.26898	302.2691	0.27989537	302.26904	0	0	0	0	0	0	7754	0	0	0	0	0	0	1719	0	0	0	0	0	0	0	0	0	0	0	3470	6677	1748	0	0	0	0	0	0	0	3782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	254	0	0	0	0	0	0	173986	0	0	0	0	0	0	3054	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1764706	2.0588236	0.05882353
24	C17 H35 O3 N1	302.26898	302.26935	0.19443884	302.26904	94225	89803	88697	80867	45033	78319	2540797	75863	45836	64025	60110	97523	54123	54082	81811	53120	90175	52915	55664	47343	53118	33179	76991	72101	81803	963559	976633	150891	76321	67956	50353	48173	46678	54886	29883	70321	44049	63788	54683	44570	56860	87381	103929	88584	199435	60533	73853	110595	58481	70870	87695	87649	55633	202872	63660	77176	59769	45143	80942	63567	56099	82734	49705	65185	59032	47470	73786	48644	62793	31302	44883	54464	59318	81554	70434	59588	203333	68912	71689	64309	58561	54860	51622	3977074	67538	86283	40138	60956	56426	37251	37973	31107	57839	64195	58440	112792	105818	114310	55358	39561	56196	60158	63582	67585	70661	69611	78008	111866	65470	45136	Lipid	0.1764706	2.0588236	0.05882353
12	C17 H35 O3 N1	302.26898	302.26898	0.054159977	302.26898	0	0	0	0	0	0	7261	0	0	0	0	0	0	2459	0	0	0	0	0	0	0	0	0	0	0	11932	4348	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	304106	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1764706	2.0588236	0.05882353
20	C17 H35 O3 N1	302.26898	302.26874	-0.32748193	302.26886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1597	2006	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1042	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47446	0	0	0	0	0	0	2891	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1764706	2.0588236	0.05882353
14	C17 H35 O3 N1	302.26898	302.26917	0.29869303	302.26907	0	0	0	0	0	0	19724	0	0	0	0	0	0	3729	0	0	0	0	0	0	0	0	0	0	0	19892	19190	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1610	0	0	0	0	0	0	0	0	0	0	0	342	0	0	0	0	0	0	511886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1764706	2.0588236	0.05882353
16	C17 H35 O3 N1	302.26898	302.26895	0.13720778	302.269	0	0	0	0	0	0	22490	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12264	18328	1884	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	407668	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1764706	2.0588236	0.05882353
26	C13 H6 O7 N2	303.02478	303.02512	0.1383701	303.0248	8908	7252	9349	6733	4191	3727	12153	10487	0	0	0	9709	0	10301	0	26419	26015	0	6372	0	0	0	7302	45179	10456	0	10491	0	10859	13602	12537	22583	17965	14516	0	10363	15379	6737	31233	0	0	5892	0	0	0	5705	0	0	13748	0	9878	6665	6609	0	0	0	0	14768	0	0	18762	0	2033	0	2618	2380	4916	30554	0	0	0	12881	12303	10060	33399	12765	0	7743	5384	0	8775	0	0	0	0	0	6505	11454	7223	15875	0	0	11417	0	0	0	8471	7069	0	0	0	19043	10148	0	0	33505	0	0	14631	3101	Unclassified	0.53846157	0.46153846	0.15384616
24	C15 H10 O7	303.04993	303.0503	0.24022752	303.05	10286	5709	4584	5757	19143	7466	2878	2035	14587	3688	0	2669	23847	9077	6296	3729	4926	20132	17380	0	3213	5127	9349	4366	3629	0	3281	1728	2125	1075	2381	1662	2478	2105	2137	0	4034	4267	8105	1466	0	5897	0	0	0	2631	2581	2345	2387	0	6498	6196	9714	0	13449	13725	6899	5849	1156	1559	5971	1008	23179	11062	4556	20673	5698	4708	0	0	0	1465	0	0	3478	0	0	2855	17392	4677	13604	2127	1665	1052	24632	11885	12329	6221	6334	6641	0	0	5562	4318	2474	0	8075	5328	12415	18513	17931	4957	3307	0	3609	4566	11224	0	7374	30871	Phytochemical	0.46666667	0.6666667	0.0
20	C15 H10 O7	303.04993	303.05032	0.23192877	303.05	12767	15984	14339	8999	37043	20348	4733	0	34270	5061	4672	5042	58436	26862	7101	4940	4081	44901	43759	6866	1937	11948	14897	7731	8514	1845	7342	0	2081	0	2218	3609	9553	3463	6976	2656	6318	8997	4412	5770	5101	7711	1714	1487	1628	4163	8286	3632	4394	1750	12067	9670	23867	1420	25154	31160	17858	8766	3475	2030	6040	3278	44974	24407	14793	47284	12047	6321	3083	4806	3687	2146	2140	0	3035	2919	1767	3665	23729	11970	20504	5158	3868	0	46781	20871	18199	14610	18172	13034	6499	4782	8553	14955	10289	2347	14063	10966	19502	45002	44189	6799	5669	5253	2710	3158	23408	1783	8927	59041	Phytochemical	0.46666667	0.6666667	0.0
26	C15 H10 O7	303.04993	303.05026	0.26112565	303.05002	4462	3680	4220	5578	19706	7575	2349	0	10080	3894	0	0	24567	6738	0	0	0	20657	19509	0	0	9764	0	0	0	0	2387	0	0	0	0	0	2467	0	3204	0	3529	3105	4285	2214	6225	0	0	0	0	0	0	0	1936	0	5796	6393	9969	0	10541	14260	5735	2787	0	0	0	0	20441	12731	3099	16881	3237	3725	0	0	2517	0	0	0	0	0	0	0	8241	6365	12877	0	0	0	21229	7555	4615	5521	5179	2883	0	2858	0	7377	10759	0	6171	5986	8123	19868	19885	0	0	0	0	2382	8973	0	4042	24287	Phytochemical	0.46666667	0.6666667	0.0
8	C15 H10 O7	303.04993	303.05045	0.2427338	303.05	4530	5546	3390	4359	15097	4798	1121	0	15929	5224	8248	3234	24418	5463	1915	4227	2889	11830	14456	5753	7005	9506	3914	1067	831	618	1318	0	0	0	973	1210	3258	894	8679	1242	2112	2408	3061	2257	6597	5644	0	0	406	0	3494	379	0	0	3493	5561	9201	0	13347	12084	5580	2934	0	2411	0	1925	26461	17118	5208	14556	4548	5257	0	1571	4108	0	979	0	3141	1141	257	1846	6563	2655	5023	2364	756	0	15174	4246	4913	6815	6354	3916	0	0	4600	10162	7428	432	5028	4032	15352	24552	17916	3393	2266	1933	0	3252	9522	0	958	20401	Phytochemical	0.46666667	0.6666667	0.0
22	C15 H10 O7	303.04993	303.05035	0.29018804	303.05002	8005	8867	6317	6590	32502	11943	4522	0	24930	5415	2617	5510	27896	15804	5125	3563	3926	25073	23093	3931	2139	9918	7263	2008	3383	0	2718	0	2185	1724	1925	0	5464	1183	4806	0	3761	6491	4487	1501	4750	2633	0	0	2005	1647	3061	3249	1757	0	7677	6796	16746	1589	21846	18381	7970	3971	1229	2422	4396	0	38961	21900	9223	31131	6852	3150	2028	0	0	0	0	0	0	1486	1507	2540	17067	5309	14693	2200	2578	0	34583	15111	13972	8995	8973	3754	2696	3180	2873	5395	9892	0	6405	8484	13709	40728	35399	4260	3733	2132	0	5472	18344	0	7629	41218	Phytochemical	0.46666667	0.6666667	0.0
10	C15 H10 O7	303.04993	303.05045	0.32672766	303.05002	17098	16283	8967	11946	28779	13512	4760	3159	31171	16872	14250	6169	47838	13732	6763	8536	6301	37141	35787	8834	12442	23649	9519	6200	3108	0	3479	4002	2543	2807	3508	2584	9146	2296	22957	1605	6577	7700	4860	6725	11864	10122	642	0	524	4706	9521	942	4652	4052	18347	14673	19580	367	34460	31619	13312	9268	5338	10041	0	6596	47991	33215	10688	35822	10058	6794	0	3949	5462	4378	1926	0	4797	3600	0	4773	17437	11288	13923	5682	1999	2157	36571	16033	14362	14928	13748	11791	4784	5508	6304	27604	18028	630	12674	12185	28374	41868	39715	10286	7641	5412	0	7642	24158	0	2958	44589	Phytochemical	0.46666667	0.6666667	0.0
10	C14 H10 O6 N2	303.06116	303.06168	0.3110233	303.06125	9479	9117	8712	9032	9908	3949	3041	2751	10949	7019	6615	5398	15678	3770	3406	6146	9616	14882	15730	3486	5849	21098	6605	6921	2333	0	2828	0	3369	1879	3619	2590	11614	2979	8232	2132	6925	5733	7817	5911	9646	6733	0	0	0	2575	7139	0	4880	3075	7715	10065	9173	0	14473	8906	5580	7985	2403	3147	0	3700	22856	14150	4488	13091	7666	7237	0	2562	0	3934	0	1730	6115	2837	0	5868	9015	0	6199	3317	1422	1098	10402	4278	5963	11409	8890	20416	0	3830	12232	12361	12289	0	5950	7693	5717	9722	8450	6982	4112	4245	0	12456	6934	0	4471	21070	Unclassified	0.42857143	0.71428573	0.14285715
16	C14 H10 O6 N2	303.06116	303.0616	0.31000674	303.06125	8108	6044	5293	7256	5151	4471	4462	5739	6010	9077	6970	5248	7934	3220	3570	8010	10655	11169	12498	1824	5623	20936	5623	8522	4552	0	3048	0	3333	2820	3579	4414	8917	5431	9625	2846	4515	4791	10779	7507	13598	5901	0	0	0	3157	3933	0	4184	4589	5875	7109	5671	276	4311	5204	3290	8530	3883	5065	8347	5031	11026	9668	4224	10085	4540	10570	0	1762	3896	6980	3386	1743	5791	2527	0	2861	8567	12637	6334	3458	3021	3093	8214	4204	12131	10236	5785	0	3462	6874	0	12721	13229	0	7770	4776	3270	5930	3773	7713	3384	2275	0	0	5845	0	6557	13426	Unclassified	0.42857143	0.71428573	0.14285715
14	C14 H10 O6 N2	303.06116	303.06165	0.3159082	303.06125	11535	8400	9306	11332	11514	8240	4757	7844	7103	7633	5696	7084	11511	4082	6130	11269	12634	13837	14935	3753	10134	23078	7869	14295	4114	1319	4726	0	4174	4112	3764	9858	14041	7249	11965	4112	12607	5778	17831	9353	16778	10011	0	0	0	4217	6732	0	6875	3290	10704	9981	10754	0	10606	5429	6512	11099	0	9588	0	6357	13128	16126	5871	12305	10984	15546	0	2208	4976	5124	4386	0	5579	2145	0	7373	13114	18378	8723	5666	3166	3717	8333	5579	15185	12468	8360	38670	6270	10250	21585	20259	13633	0	10994	6948	6161	13187	8792	12562	5985	5945	0	13244	3925	0	7695	17966	Unclassified	0.42857143	0.71428573	0.14285715
12	C14 H10 O6 N2	303.06116	303.06168	0.30221674	303.06125	16927	18124	14370	17620	17124	26498	5414	43469	18156	10340	5387	14294	16960	7937	17365	20654	16865	19534	25997	3872	10403	23641	14455	23513	8754	1629	4301	0	20724	9381	35344	17300	21303	24059	16329	14531	20083	11366	17690	9912	16215	15581	0	0	0	6011	8693	0	39535	27652	18079	9490	17247	0	21869	7886	10523	17763	0	0	0	6791	24952	20262	7450	19200	14931	9966	0	3934	4012	92711	16035	12147	7679	9118	0	19968	17193	0	10838	7954	3751	4392	12490	10846	15123	28228	21327	45634	4488	5802	38918	20572	11854	0	14212	10010	7813	10281	8769	14740	15586	5627	0	31928	11119	0	10383	29997	Unclassified	0.42857143	0.71428573	0.14285715
10	C11 H14 O6 N2 S1	303.06454	303.06497	0.18312815	303.06458	5058	6281	3977	5950	3972	19215	2014	30189	2998	0	0	6114	3041	1567	6765	12483	0	5710	2786	0	0	7404	3090	9868	1645	0	1466	0	12821	9936	20539	10835	7249	26315	0	6972	6664	3994	1640	0	1060	4358	0	0	0	0	0	0	26787	19338	6605	5223	5209	0	2555	1597	1620	8480	0	2398	14237	0	1668	1921	2005	3250	3950	5097	0	0	0	87970	9902	7633	2758	4656	0	7509	2094	0	0	784	824	0	1104	2304	2299	10099	5748	4546	0	1722	18393	1318	0	0	5332	5509	0	1153	2432	7352	4291	0	0	10718	2094	0	1028	3825	Peptide	0.54545456	1.2727273	0.18181819
6	C12 H14 O9	303.07104	303.07162	0.33191434	303.07117	6694	6387	6389	5400	19916	9106	1202	0	16278	1607	1570	1851	46396	9472	1401	3714	1608	25780	20511	1736	2149	2885	3531	1585	0	0	772	0	0	2266	1556	1977	5588	1846	2183	1377	3942	1832	1904	0	0	6780	0	0	0	0	0	0	2368	811	5700	7306	12534	0	17234	24236	7275	2307	0	1410	1741	0	38708	17493	6011	25079	7988	2165	0	0	0	1946	2895	2438	1955	2222	0	1915	2199	0	2686	0	384	0	21158	8470	2422	8025	7119	2190	0	3818	1594	2437	2563	0	4928	5594	11639	31665	37321	4033	2366	0	0	1638	16517	0	0	45711	Phytochemical	0.75	1.1666666	0.0
10	C12 H14 O9	303.07104	303.07156	0.29981953	303.07114	9841	9606	8286	8121	32294	16155	1699	2318	38806	2346	4911	4040	78856	13783	3587	2387	3760	36346	38009	1571	7229	0	4046	2251	0	0	1838	0	1388	1220	1740	3268	5674	2208	2213	2200	5894	2580	1450	0	3185	12340	670	0	0	0	0	0	1690	0	8325	10881	24150	0	54957	33084	8983	1737	2642	1731	0	0	70074	47755	8679	40259	12598	2451	0	0	0	2883	2318	0	3777	2048	0	3568	5667	0	3277	0	0	0	30920	9107	4547	10386	12541	1539	0	0	2456	3741	0	0	9690	10437	23064	33535	34700	6559	3171	0	0	2271	26406	0	1399	84006	Phytochemical	0.75	1.1666666	0.0
8	C12 H14 O9	303.07104	303.07156	0.23213117	303.07114	11916	10823	8076	7365	34295	14468	1811	1889	34391	2112	4960	4556	75120	11104	3130	2164	3391	35728	36356	2263	4711	0	5771	2158	853	0	983	0	2631	1925	1765	2974	4490	2750	5913	2752	7621	4605	4983	1822	2584	13298	0	0	0	0	0	0	1669	1444	9355	9961	20833	0	40803	36394	10721	3642	0	1747	0	0	70328	39791	10795	45410	12222	4861	0	0	0	2239	4425	1981	3303	1973	0	2664	3419	0	3161	0	557	0	36771	10521	4233	14133	12354	2580	0	0	2008	5683	2474	0	9065	11665	21476	56529	50629	8658	3041	0	0	2491	33233	0	1256	82471	Phytochemical	0.75	1.1666666	0.0
14	C12 H14 O9	303.07104	303.07156	0.28340098	303.07114	3069	4465	2967	4608	11227	9014	0	0	18559	0	0	0	22082	8628	2989	0	0	15118	13614	0	0	0	3122	0	0	0	0	0	0	0	0	0	2637	0	1929	0	2636	1183	0	0	0	4717	0	0	275	0	0	0	0	0	2877	0	6720	0	16865	11040	4894	0	0	0	0	0	29255	18456	3185	16036	6431	2046	0	0	0	1207	0	0	0	0	0	1954	0	0	1192	0	0	0	12194	2835	0	4924	4705	0	0	0	0	0	0	0	2317	3379	6626	9557	6961	0	1455	0	0	3206	8604	0	0	29696	Phytochemical	0.75	1.1666666	0.0
14	C13 H10 O5 N4	303.0724	303.07294	-0.014799577	303.0724	3069	4465	2967	4608	11227	9014	0	0	18559	0	0	0	22082	8628	2989	0	0	15118	13614	0	0	0	3122	0	0	0	0	0	0	0	0	0	2637	0	1929	0	2636	1183	1306	0	0	4717	0	0	275	0	0	0	0	0	2877	0	6720	936	16865	11040	4894	0	0	0	0	0	29255	18456	3185	16036	8070	3976	0	0	0	1207	0	0	0	0	0	1954	0	0	1192	0	1385	0	12194	2835	0	4924	4705	0	0	0	2073	0	0	0	2317	3379	6626	9557	6961	0	1455	0	0	3206	8604	0	0	29696	Unclassified	0.3846154	0.7692308	0.30769232
26	C16 H14 O6	303.0863	303.08673	0.24636339	303.0864	16127	17114	15303	14491	23444	12270	5543	8282	25292	21768	13299	10038	38967	14745	12912	8404	8921	29321	31425	17941	23272	32408	15515	16988	11087	14739	5896	9482	6322	9468	9311	6002	12540	7123	30029	7153	8000	8844	8556	13352	18190	13269	0	0	0	11759	15298	5244	6863	6814	13229	14871	14142	0	18994	21329	11532	10786	5305	7338	12437	10454	36953	20965	8139	29186	6602	11170	20091	21769	24095	7470	6195	0	0	9987	0	8426	16550	18623	15066	12660	5917	10848	25271	14143	13794	12051	11185	10436	16073	11248	16139	18078	28295	6507	14106	15056	18499	32669	27467	9201	7702	8089	8957	9588	12355	0	10782	34476	Phytochemical	0.375	0.875	0.0
16	C13 H18 O6 S1	303.0897	303.0901	0.12890388	303.08972	312456	335043	295958	328449	393793	283696	165110	178542	391314	543120	364090	150249	532977	236723	207805	258812	168305	627632	625115	476941	447587	452135	251187	259853	190144	376057	149481	301424	175520	136586	171907	172389	279475	153178	643263	167785	294990	184841	185505	384929	344740	213835	16336	5780	9161	263189	261865	9372	220594	151525	309481	312975	324967	7501	412321	330978	217931	291167	186204	173109	258229	253019	501224	360287	184408	487155	280478	172877	389114	454265	481910	168969	148045	124426	129676	186565	8182	136701	339957	371642	289156	219902	159932	261094	373631	242082	344231	265304	280172	298716	322079	350641	335610	409734	513892	11590	320858	300617	310442	370348	391093	260390	140731	216506	160954	237114	290998	7046	210496	530944	Organosulfur	0.46153846	1.3846154	0.0
18	C13 H18 O6 S1	303.0897	303.09006	0.10156793	303.08972	235766	235803	220347	206282	305677	226484	112942	137388	260777	351578	250713	97785	459780	230550	151430	182312	132739	473373	444913	315661	279177	302488	186009	173967	143324	231232	115683	228262	141656	110774	119224	134743	208532	129260	404457	113092	201936	126200	137449	261567	240931	197116	16254	5300	8067	186025	158748	9368	149818	107453	219385	235906	243749	8128	359193	256937	172162	192898	128027	104814	172716	181875	390591	270583	144298	364002	217729	167684	224693	273361	318953	121594	93641	79814	101100	111697	6198	101015	245627	260303	185766	161720	108489	175990	309391	203404	227083	198362	220539	177963	234565	266136	217844	263334	366188	11445	222968	229040	240637	276784	258117	182325	93883	154833	113804	148297	213963	6603	141819	406438	Organosulfur	0.46153846	1.3846154	0.0
20	C13 H18 O6 S1	303.0897	303.09006	0.20391159	303.08975	3504	4290	4839	2754	0	3226	9562	2424	1243	2649	2732	1808	0	0	4138	4403	20137	3297	2579	0	0	2335	2713	2906	7663	0	7108	3489	1682	2288	1815	2645	6554	1688	2110	1981	3133	6498	18582	1562	0	2864	0	0	0	0	0	0	3009	1619	2609	1588	2014	0	3271	0	2459	5604	3437	1935	0	1685	0	0	2058	3013	1336	54708	4816	0	1994	0	1314	0	7716	3155	0	2383	4584	2584	2479	1445	1908	0	5161	7142	15156	2308	1481	5922	4940	3583	0	1904	0	0	6985	4696	1803	0	1813	4962	0	2653	0	3002	0	0	9962	0	Organosulfur	0.46153846	1.3846154	0.0
20	C15 H14 O5 N2	303.09753	303.09796	0.30272025	303.09763	12785	10235	8283	9208	6654	5875	6672	6038	3544	4819	8459	6628	6441	4392	9741	9624	10883	5545	11374	4308	5001	14868	10741	13454	8060	2972	8579	8121	10367	6651	9727	8640	12969	6644	6546	7512	9965	7677	15227	8474	18458	8593	566	566	559	6782	10022	1132	12620	6742	12097	8432	7061	1066	0	2094	4937	10658	3182	8580	12837	9270	3570	6512	4278	5137	7101	18139	4514	4294	12373	5707	5702	4022	8352	5217	611	7240	14556	18361	11714	3259	4079	0	3961	2601	15311	12971	9542	24223	9388	10911	23045	12977	10191	1229	9760	7715	5230	3805	4790	10267	9793	8137	4346	20985	4457	748	13440	8687	Peptide	0.33333334	0.93333334	0.13333334
24	C17 H18 O3 S1	303.10495	303.10535	0.37366533	303.10504	3640	3912	5002	4017	3663	2978	0	0	1844	20388	21105	0	2085	1660	0	0	1399	2082	2248	15636	17827	11509	0	1764	2407	25530	0	23958	0	0	0	0	0	0	15108	0	2050	989	0	20376	22343	3272	2719	3630	0	7479	7071	3084	0	0	3774	2497	2218	0	0	1158	2162	1792	3489	3931	0	13480	2268	1307	0	3331	4367	1528	17486	18092	20769	1058	1137	0	0	0	0	0	0	19701	0	7085	3811	21298	2746	0	3889	3097	2553	0	6218	12672	1841	16028	21315	2685	5255	6055	3745	3175	3863	0	869	6507	5942	1663	3782	2946	1478	1394	Organosulfur	0.1764706	1.0588236	0.0
0	C12 H18 O7 N2	303.11868	303.1193	0.14294444	303.1187	7585	6487	6479	6405	9489	0	0	11054	8271	1968	0	4396	19993	4887	2168	0	2511	18499	15111	2675	6080	8654	4103	9554	2087	0	0	868	11704	4342	8746	11539	19890	16223	4821	12043	14824	1702	3270	3707	0	16669	0	0	0	3425	0	0	12932	6491	5817	7712	12498	0	8579	3007	2156	18670	1192	724	3707	0	26855	10336	2239	14687	17025	2733	0	0	0	10612	16534	7843	0	11166	0	4312	1969	0	1628	0	0	0	2560	1764	1295	8815	13090	2621	6984	6460	15560	0	0	0	8333	7519	2140	2037	0	10647	0	4954	0	14970	2671	0	0	32470	Peptide	0.5833333	1.5	0.16666667
10	C8 H19 O3 N6 S1 Na1	303.12097	303.121	-0.43693122	303.12085	0	0	2611	0	2281	0	1479	0	2450	0	1741	1868	3047	1510	1484	1824	2063	1481	2661	2957	2370	3525	1066	2321	2637	0	0	0	1451	2100	1546	1266	4686	0	2457	2127	1847	0	1856	0	0	1397	856	0	0	3068	0	0	2224	0	3003	0	1661	0	0	1175	2127	0	0	3129	0	4092	2767	2194	0	3118	0	2164	0	2750	5211	2445	2379	1706	25783	1737	0	1510	0	0	2384	1878	2061	2642	2127	2258	0	1913	0	0	0	2830	2712	2887	3222	0	0	0	2109	3809	6812	0	1515	0	0	0	7136	0	2604	1808	Organosulfur	0.375	2.375	0.75
14	C17 H18 O5	303.1227	303.12317	0.17869796	303.12274	945220	946743	824903	927837	709855	516575	646413	838613	778107	1157605	860608	571199	791517	412632	646320	877734	799118	930626	925553	1482889	1582072	973445	725155	892500	593333	2068527	626680	837711	690675	743332	663229	805622	938753	647403	1387399	733364	803661	622734	837622	1142781	1194476	585399	36536	14395	15746	736946	791134	20479	854729	677363	871276	824193	646395	15848	859089	614180	514273	986667	661192	759139	843431	736569	911235	771743	431189	799160	598829	797431	1716406	2218011	5178474	663404	675026	657841	664222	803415	14258	559865	874534	648726	829110	632700	704457	914065	777676	461074	874959	608349	671870	1037847	814581	713647	1059962	634017	890171	27597	906166	875446	658487	732500	761737	726486	594700	912247	481188	736147	585689	16681	663797	749518	Phytochemical	0.29411766	1.0588236	0.0
10	C17 H18 O5	303.1227	303.12317	0.17649166	303.12274	323811	286454	245637	252415	192604	136223	224291	315796	221523	308101	218518	222193	195392	123141	220497	330875	255559	221957	277134	397029	380534	316061	255483	348832	187886	540149	229929	190861	251857	263294	241494	266066	294427	224812	363879	252103	261247	228058	301594	329526	697644	165461	24536	16283	19387	283023	291012	19652	272471	268961	288310	312839	173192	15234	265617	190097	144996	341521	238748	272960	338041	188660	204779	195402	120490	208457	160364	315288	498725	574066	1328960	238395	245748	239783	262592	276894	17243	187368	321480	162390	323511	248459	259041	212465	228873	158016	296620	153661	190797	342378	216853	224910	340620	200424	289260	22863	274740	285870	201927	214438	200902	261560	224959	308442	162145	236509	174543	15224	228517	214052	Phytochemical	0.29411766	1.0588236	0.0
8	C17 H18 O5	303.1227	303.12323	0.19078036	303.12277	119662	143862	86770	131693	67839	60908	96196	137158	89576	238618	97626	103838	80977	52247	100325	138660	132453	77823	110766	169845	307914	160091	118783	156159	81050	343770	96134	79808	112370	121562	111227	127107	115011	91265	156296	121111	109104	95226	159345	128656	305724	80703	17605	9328	14958	142938	146045	13681	128713	118440	120830	126841	71744	10724	123646	79162	79511	127121	109230	126103	141934	88481	96107	91944	59911	85111	69691	145215	189876	382640	526844	104126	111501	112876	94428	133565	10795	91908	147246	85262	134543	120982	121415	89119	95199	59657	124083	69058	85119	175684	73596	101992	153152	95166	113973	15936	131459	133015	87929	99736	99899	115430	108273	138752	88459	108505	79920	9351	108810	86620	Phytochemical	0.29411766	1.0588236	0.0
2	C11 H18 O6 N4	303.1299	303.13055	0.19227844	303.12997	2064	2076	2898	2151	638	0	0	1077	482	0	0	793	610	0	0	0	891	486	754	0	0	8475	833	5164	616	0	0	0	864	0	1171	900	1698	755	0	917	798	552	1039	0	0	0	0	0	0	501	454	0	0	783	2294	1676	581	0	534	593	0	3770	0	0	943	0	783	0	0	1686	582	1169	0	0	0	932	636	740	0	0	0	0	1678	0	1921	0	459	0	308	271	1845	857	788	48455	0	0	18819	0	0	0	1874	2411	0	0	439	723	0	0	0	11635	492	0	1828	1506	Peptide	0.54545456	1.6363636	0.36363637
22	C16 H18 O4 N2	303.13394	303.13434	0.18184115	303.134	23526	25311	21937	23612	27905	13021	27682	19623	7704	4632	6835	27847	10248	10793	16100	53629	73268	32048	24667	4451	5517	25959	20544	95034	21233	0	25826	13602	12703	14203	21032	16224	53244	13026	4529	14894	38780	20628	78484	3994	8765	20131	0	0	1245	16796	3540	0	28100	18600	23875	23052	31713	992	9953	8713	12335	50331	2810	7376	38685	3401	9540	12101	13431	20753	18443	81274	3124	3215	3354	14013	7028	6009	18797	11336	516	15698	35896	8882	35216	4631	6858	0	12670	15205	49382	53687	31285	134530	16127	8896	79717	6025	3520	0	19232	17141	12020	12779	11811	67374	16700	8458	2284	94675	16305	0	54301	14137	Phytochemical	0.25	1.125	0.125
2	C16 H18 O4 N2	303.13394	303.13455	0.18950352	303.134	40957	36961	32969	31777	22100	20111	26031	43968	20829	54407	32539	33017	23645	16251	31428	20661	44802	29891	36153	51120	84214	51548	31638	33994	20627	50926	14279	37559	39550	29045	36272	34233	51044	36063	70390	34738	41946	27540	46338	54136	62307	25926	699	338	391	31018	45641	331	37052	27898	31660	34228	24721	342	32410	13074	14489	37393	13702	34048	23390	29187	25016	27143	13258	28086	29365	57899	50651	72310	84125	33255	35213	29703	25890	31609	280	27766	35820	26976	30900	20612	22592	31498	17859	17020	31149	31823	29125	56085	27347	35006	59773	38550	32386	1010	36574	38771	16598	14322	14289	36893	28909	38060	24214	41721	12608	432	30178	25222	Phytochemical	0.25	1.125	0.125
12	C16 H18 O4 N2	303.13394	303.1344	0.121538594	303.13397	174381	193907	177108	174537	104264	88177	185961	218701	85258	190431	135708	119803	73771	65305	131016	246387	249539	104448	142542	208878	233000	243705	150731	262770	187007	219409	150551	116633	194620	146816	184513	176546	274121	200610	205393	160382	238459	153729	299361	219619	293533	116888	1738	892	553	168927	183174	852	214488	187354	191114	189071	118528	1122	93497	55084	77082	260853	83328	157114	240540	116827	88325	71868	68334	111565	113161	329616	197844	320088	354507	188256	155942	125345	190111	151539	507	136867	220429	157504	198351	116499	101045	148978	77894	68574	235790	150733	126266	516390	158132	147813	459375	162197	173561	965	170277	197790	73739	87409	94791	212346	133435	149861	85358	271661	71518	772	243022	114985	Phytochemical	0.25	1.125	0.125
8	C16 H18 O4 N2	303.13394	303.13443	0.11532977	303.13397	192263	194710	147254	201434	97500	105569	123276	179418	74074	279358	178376	113287	84547	62098	115449	227531	208331	104228	139879	317334	332652	235593	135711	262902	138207	305733	142061	171325	171899	145821	161789	212426	252244	211989	344527	162170	280822	111694	272980	278480	281519	118582	1579	438	624	222981	237864	539	262961	149000	185778	188986	121281	741	80365	52010	71088	197623	45714	104021	217218	142348	73538	80156	59973	105085	128680	276991	246661	404712	454692	180167	162016	117407	154722	161910	374	114487	183759	161143	141683	91077	76269	185187	64896	58229	159286	151954	147186	301219	162572	133318	344062	155777	237717	995	191434	182635	65410	67443	73181	252597	99546	168457	72025	225655	65825	356	147743	90824	Phytochemical	0.25	1.125	0.125
4	C16 H18 O4 N2	303.13394	303.13452	0.16725293	303.13397	56482	64887	54279	53787	36818	36418	32934	67288	28327	103180	56589	39647	36900	28631	44724	63319	76442	50954	57740	112050	128379	82318	46757	64659	44122	129375	39478	49743	46864	46505	44819	46949	64667	47679	116768	53941	69308	41768	92049	96050	107602	36270	1175	454	598	72970	101985	888	58035	60148	57074	49423	37717	416	39678	24575	22228	55926	19511	46510	56785	57534	37870	34651	22232	38250	31101	80081	100808	145682	172227	48681	42399	53125	51135	46203	271	41873	59868	63792	51499	38561	31311	62654	32718	27871	56183	38938	39466	76662	61996	54283	88949	63579	108786	1075	51017	64437	27257	29685	29754	67299	35572	84781	48326	51992	24886	635	43438	42644	Phytochemical	0.25	1.125	0.125
18	C16 H18 O4 N2	303.13394	303.13434	0.21331008	303.134	55126	58340	53411	43123	36884	31323	50108	53081	21544	56998	59310	33273	21298	24682	32023	76116	73458	42280	45765	41015	42466	72259	39119	84807	50043	38666	49048	118394	45729	41053	48327	44329	75498	48679	43707	41681	79795	32703	87945	62358	75452	34014	1526	604	797	44352	48549	1134	63353	38788	52346	53820	34817	767	20473	17233	21085	75590	25026	41125	57885	36503	21137	20729	24179	27814	28065	94338	40980	47689	67212	40464	35585	25426	40770	40033	541	32135	59723	86901	59957	32407	35737	39388	18599	25908	65083	48305	38958	112038	148283	110336	138486	50937	50523	1039	56842	50045	22776	28851	27309	69931	32483	39814	18499	72114	20359	618	60118	30454	Phytochemical	0.25	1.125	0.125
14	C16 H18 O4 N2	303.13394	303.13437	0.14203309	303.13397	155955	142371	128357	154821	79631	75843	139692	140802	56653	163558	123576	112017	70699	62023	107368	185390	180071	90546	94252	179947	194855	209850	117154	189532	119533	194106	124367	110091	130481	135723	130853	162571	187628	148876	181610	139830	179775	92381	192528	200286	223130	79702	0	786	774	135392	135131	817	168071	132393	135608	130132	94527	782	66821	61386	62176	200983	94187	117849	172121	121009	58088	56337	49890	82367	77610	196855	143681	243630	304502	138883	113592	105103	140639	132024	507	98219	120852	121174	102350	81352	94633	148703	63667	52571	143456	124884	90600	278799	190172	162407	283621	117997	185367	1357	144316	131670	47955	82460	86324	175341	114148	145744	74179	190673	49873	881	140187	63180	Phytochemical	0.25	1.125	0.125
10	C16 H18 O4 N2	303.13394	303.13437	0.105671294	303.13397	225668	208096	209499	181618	118257	110543	167991	250391	85832	245054	165409	162279	85769	83663	144492	305172	334772	116532	165842	287981	307972	258115	163951	346861	173709	286006	210443	150805	213651	220264	210371	261578	346776	231364	255210	215648	321264	157215	410601	263466	300163	127800	2414	582	542	188702	200094	747	296559	218076	227494	236444	132007	510	99084	58355	70176	288995	69393	143510	296873	134804	79874	91580	74088	115633	130083	449073	279585	375524	447966	215697	198088	165084	243667	201770	0	143357	240729	152412	202000	97709	91133	159462	80856	80466	232063	176598	147179	490052	167210	122978	396446	156087	260828	1622	213849	219380	69093	77692	85728	293454	140864	187120	98222	291027	69988	835	220824	109945	Phytochemical	0.25	1.125	0.125
20	C16 H18 O4 N2	303.13394	303.13434	0.21431243	303.134	31431	29543	28749	27571	34108	20509	28703	36282	16959	16426	25259	21637	46626	23092	23642	47103	45654	21266	30522	15189	19545	35020	27122	47101	31029	10299	25399	44859	30604	26882	35981	31862	47415	34382	26765	26450	39977	23530	51649	21449	24802	24926	1183	1339	494	17332	15590	876	36501	28627	30508	39272	33489	905	10098	16300	18921	50224	12394	20673	31883	10679	15942	17301	13726	25481	27251	73527	10372	16973	16043	30585	24394	20764	30115	28792	701	20182	38770	34033	32559	13145	18807	12105	20618	18793	39342	39720	28848	93150	74543	40675	74632	25833	13572	637	29813	29087	17929	25778	35899	53120	22584	29659	11093	49343	16839	760	35774	25887	Phytochemical	0.25	1.125	0.125
28	C19 H19 O2 Na1	303.13556	303.13586	0.44711816	303.13568	2101	2998	2524	3363	2165	2844	2030	0	0	4031	2723	0	2077	371304	0	0	0	0	0	0	0	10675	0	0	0	0	5534	3570	0	0	0	2752	0	1408	5305	0	1296	0	0	1863	4387	0	0	0	0	0	0	0	1099	0	2330	3535	0	0	0	0	0	1744	0	2946	6380	0	63880	0	29425	1816	3307	8052	2607	920	2879	1470	0	0	0	2058	0	0	0	4877	0	3103	1436	0	0	0	0	1145	1346	0	9639	1688	0	909	3392	0	1735	2614	5739	0	0	0	0	2688	0	1319	1931	0	0	59264	Phytochemical	0.10526316	1.0	0.0
10	C13 H22 O4 N2 S1	303.1373	303.1377	-0.1608382	303.13727	1379	0	1091	1459	0	980	0	0	1464	0	0	0	0	0	1546	2510	5617	0	0	0	0	2006	1148	1710	2289	0	2204	0	0	0	0	0	0	0	0	996	0	2863	5265	0	0	0	0	0	0	0	0	0	0	0	1591	0	0	0	0	814	1103	0	0	0	0	0	0	0	764	0	0	6977	0	0	0	0	0	0	1831	1103	0	0	2047	0	1963	846	0	0	1179	833	13284	0	0	29453	0	0	2967	0	0	0	1499	1443	2432	987	804	0	0	0	0	1275	1214	0	2633	0	Peptide	0.30769232	1.6923077	0.15384616
26	C18 H22 O2 S1	303.14133	303.14172	0.33591622	303.14142	3177	0	1973	0	0	0	0	0	0	4091	6818	0	0	0	0	0	0	0	0	6100	4969	5958	0	0	0	20947	0	9503	0	0	0	0	0	0	6093	0	0	0	0	8407	8404	0	0	0	0	0	0	0	0	0	3204	0	0	0	0	0	0	0	2796	3874	0	4767	0	0	0	0	0	0	11288	8725	13905	0	0	0	0	0	0	0	0	12062	0	3242	2788	7996	0	0	1677	0	0	1842	5738	6617	0	11037	7925	0	2785	0	0	0	0	0	0	0	0	2080	0	0	0	1956	Organosulfur	0.11111111	1.2222222	0.0
12	C14 H22 O7	303.14383	303.1443	0.10422642	303.14386	25940	27382	34100	23560	33050	38187	33276	44706	33282	14406	12946	25305	35083	21349	30454	25200	27207	44904	43236	25019	17397	14984	24284	20649	25608	5454	25091	24165	73281	39431	54333	33653	49220	40511	21758	36937	41360	28196	28772	10510	6952	24429	12056	10972	4776	14091	5146	11691	40376	26679	30087	25689	35242	5498	53737	30810	27790	37555	39498	21116	27692	15873	39049	36908	26157	42164	37925	24370	0	8749	7732	39977	35822	35550	22378	35946	4801	51705	23353	18071	23836	18130	39865	18566	34278	23510	32655	19255	34500	22314	23389	33847	25541	16453	10797	11425	23718	34335	26951	35170	38100	35666	39037	27814	0	28251	34627	10976	23672	41411	Lipid	0.5	1.5714285	0.0
8	C14 H22 O7	303.14383	303.14432	0.065590106	303.14386	54948	56212	23150	31574	20955	26216	30857	42224	48144	14966	11232	28264	74736	12826	66096	74288	39634	34076	80264	23414	14820	48012	56457	34257	21288	0	22290	19788	85784	92640	37682	83116	73308	33894	14386	47952	42910	25226	37566	0	10018	43808	1762	0	0	15546	12946	0	88804	39006	59356	28734	44824	0	91628	24504	19520	30874	17582	15448	49452	6715	30070	53456	15932	58680	20658	37511	0	2645	4454	40782	37076	49164	29370	75698	0	56252	62296	18226	20938	9838	32344	13604	28996	18296	28484	32035	20914	56043	0	34362	93398	12176	12943	0	26580	30246	20574	30661	36282	81544	50400	35900	0	27505	30122	0	24944	74666	Lipid	0.5	1.5714285	0.0
14	C14 H22 O7	303.14383	303.14426	0.1463898	303.14386	25293	26038	26514	31503	38058	34979	33250	33868	47239	17090	19649	15518	62257	36021	30056	26227	19710	61731	50562	19401	17519	14557	20334	19419	29679	3227	22236	27745	59852	42398	28333	35770	53491	34071	18224	41849	48494	27271	24630	7364	0	25548	6279	2920	1854	15087	6632	4175	41058	29881	25227	24462	37675	10749	72211	39955	20724	37878	22720	7491	19824	7703	43539	43659	32854	42345	40636	17185	0	7267	6514	29960	29820	43625	21955	32439	2115	30424	16867	25964	15801	12215	31394	14079	34248	36900	24395	25896	31531	13503	32368	23147	20512	9082	10240	4063	34663	29839	29617	42993	49878	44011	17922	23367	0	21424	32899	3971	18443	45588	Lipid	0.5	1.5714285	0.0
0	C15 H18 O3 N4	303.14517	303.14572	0.1234257	303.1452	2126	0	1668	0	0	0	0	0	0	2296	1463	0	0	0	0	0	1598	0	0	1725	1784	0	0	2823	1387	921	0	52735	2253	0	2115	2818	2332	2131	1725	2227	2932	1099	2336	1184	1191	2472	0	0	0	0	0	0	2612	0	2020	1893	0	0	543	0	0	3618	463	761	0	0	0	0	724	0	0	2617	398	1871	0	0	0	0	0	2124	0	0	1367	172469	0	565	0	0	0	0	2211	0	0	3872	87992	6673	4538	2901	0	0	0	0	513	0	0	0	0	0	0	2465	0	0	1800	0	Peptide	0.2	1.2	0.26666668
10	C13 H22 O6 N2	303.15506	303.15555	0.23324534	303.15512	139235	125645	113856	116155	65887	56455	127231	157566	67849	82925	78820	113482	65885	55028	116040	184607	165007	76925	104418	117084	108759	136102	122191	167377	117377	119322	146274	83876	134400	146678	127287	136122	147937	98796	100832	145044	134284	116897	187212	105086	117970	74026	20850	13941	16836	121900	109180	17325	142986	140593	120791	131119	71586	12263	89480	71621	65632	172158	115387	124849	167241	68792	61449	70231	60078	72226	60311	193345	98126	107587	131471	109606	107843	142054	176248	141338	13647	93054	152327	83498	141741	106425	130862	71613	85809	72672	158031	61694	81727	194691	147183	152925	183440	85024	116246	18380	124265	141671	68940	87741	100039	142323	112551	133481	83270	128671	70762	13900	136300	64688	Peptide	0.46153846	1.6923077	0.15384616
6	C13 H22 O6 N2	303.15506	303.15567	0.22233571	303.15512	32424	36593	33538	36043	25282	20426	27396	51179	31673	9198	10249	25627	35926	9400	42328	68977	34865	43956	38122	13207	9002	35999	29138	71056	48085	0	20590	14183	45149	43812	41472	45218	51957	48148	11876	48204	53724	33093	45749	3801	5835	21010	0	0	0	19827	8493	0	46713	39661	33025	35023	28824	0	37048	15166	12814	59039	14221	10962	67401	1911	23584	17369	11231	37728	25124	47561	1788	3125	2810	45066	42634	51292	17798	35807	0	25841	28035	27134	21542	9164	11700	2158	20096	29258	33872	24243	28637	61848	51833	51545	82286	8157	9248	0	33399	35099	13017	12974	18014	53888	29492	15815	0	52147	32662	0	52164	47949	Peptide	0.46153846	1.6923077	0.15384616
18	C13 H22 O6 N2	303.15506	303.15564	0.18386409	303.15512	1835385	1847126	1702529	1595809	1343920	1098775	1398491	1750128	984988	2184835	1704827	1181692	1374239	1025086	1305917	2050967	2110313	1572934	1904656	2972766	2896395	1659144	1391755	1850332	1118725	3573102	1368955	1608903	1651104	1619217	1493350	1730081	2052495	1695732	2000218	1696101	1908932	1209625	2190301	2009663	2301970	1292475	60746	18934	20740	1216094	1314926	22984	1921537	1546775	1778167	1774655	1219770	24149	1354527	1183563	1010884	2009678	1040289	1423622	1810872	1336560	1365883	1110261	819492	1448792	1362943	2272062	2926893	3363291	4489426	1418042	1325535	1478749	1987398	1712855	14079	1041958	1708208	1406750	1370843	1035009	1320024	1548510	1349742	1107726	1647971	1405745	1396526	1956512	1739199	1712597	1986779	1189603	1782192	31052	1742512	1687708	1143385	1410366	1539110	2037478	1109906	1760942	710119	1441720	993121	19865	1356861	1186802	Peptide	0.46153846	1.6923077	0.15384616
2	C13 H22 O6 N2	303.15506	303.15567	0.18674564	303.15512	36596	32823	31522	32597	41777	45193	12746	63500	34304	7828	7145	21761	72978	20111	23212	23659	29920	55199	44694	12577	12646	36387	23602	40534	16648	572	6599	6360	43932	22521	38784	43188	60635	51499	16880	34278	56273	18478	30275	8441	4656	26580	601	0	0	13938	6940	0	45692	25485	29606	35114	34582	0	43311	17557	11887	50614	10966	7288	29893	2450	50252	34160	11351	59493	35959	33489	1407	3939	1921	97899	50903	33380	6697	28279	0	19158	17889	17790	13519	6430	5186	1365	25441	16968	22602	37430	39585	45487	43318	54939	62046	8031	6334	0	33487	34055	22047	22453	21397	34114	19793	17519	6233	48061	29214	0	13939	109621	Peptide	0.46153846	1.6923077	0.15384616
20	C9 H23 O2 N6 S1 Na1	303.15738	303.1574	-0.48268422	303.15723	1675049	1814797	1701790	1483372	1406683	1180422	1144573	1691215	1167418	2250033	1579866	1132030	1468988	1180785	1345387	1938934	1698232	1650677	1917344	2877554	2991162	1725056	1242212	1757012	1154251	3188585	1211057	1560812	1742409	1535963	1351216	1648487	2038367	1712352	2248943	1593731	2011144	1113934	1637051	1919009	2143755	1295672	61631	28433	19613	1203305	1320864	33294	1735065	1363034	1692998	1719976	1297344	27803	1296307	1190892	969340	1901855	1108046	1225180	1739528	1294180	1337760	1188316	781811	1486711	1281698	1755871	2479363	3243945	3757627	1520534	1566534	1506408	1759934	1643242	16685	1057059	1470950	1372654	1119830	826879	1253389	1485273	1268987	1003291	1593904	1387450	1385790	1856020	1799079	1716294	2029912	1353893	1632406	38353	1650235	1744462	1138194	1392544	1513597	2057005	1125925	1896691	895215	1522358	1121268	27419	1233557	1456795	Organosulfur	0.22222222	2.5555556	0.6666667
24	C18 H22 O4	303.1591	303.15945	0.21177918	303.15915	480152	481434	445373	467067	491313	398972	259546	446348	405058	634537	471635	301159	605134	472734	391187	523284	408153	636060	696693	785493	742482	519384	382035	504880	326939	609963	248064	509568	472019	421894	373903	467320	555543	445119	680083	516605	658548	298148	407635	507910	492965	369920	38740	19621	32873	368083	316605	24689	514474	394089	438861	469670	426357	26981	500669	434333	279122	551173	381434	288504	542042	357923	469491	396850	240143	605397	473073	392376	515249	617393	670508	427631	412964	418440	320340	448714	27591	336610	406743	349945	330214	275159	336765	384254	426238	280604	413670	360031	421803	444431	564839	542746	638246	363077	515033	24681	466123	497766	348164	407842	463636	586964	291671	550169	291323	429425	325905	17441	322228	471285	Phytochemical	0.22222222	1.2222222	0.0
12	C18 H22 O4	303.1591	303.15955	0.10874505	303.15912	362370	378116	339763	371331	168788	135814	341038	345026	169618	233556	205558	224008	132937	101163	233547	510535	458957	169202	237215	328277	277213	365707	250323	410365	250243	300029	444543	167814	311131	352836	277134	377897	313857	257698	227492	316996	310112	256786	508808	234028	345884	192342	19288	14538	14821	264927	321916	18451	407912	381192	361081	387042	183880	11928	192779	170815	171502	418334	243117	352069	440594	154334	176105	170577	124049	152262	166342	478313	294362	341568	395744	231206	261600	330221	500773	405730	10011	245622	343428	189739	307499	223839	301451	192716	213220	163242	355592	164641	190590	586379	313175	331607	437148	184409	332402	18092	368702	338959	185205	217320	235317	410233	243842	378878	171590	321439	191206	12854	294368	178214	Phytochemical	0.22222222	1.2222222	0.0
14	C18 H22 O4	303.1591	303.15952	0.107007295	303.15912	717009	721556	620381	716733	452996	348849	735515	735967	389060	500111	436566	575778	390987	294801	550328	852569	1072147	453541	530911	739507	784296	696917	578529	747771	540507	1016344	747026	472158	638679	707845	634652	767921	789019	547414	600810	713787	668534	549192	1122071	593875	778739	445522	29775	14814	14314	521629	641028	19848	787157	662189	669610	638110	431231	14433	442123	394561	400721	908990	507421	725287	736291	368570	433442	397155	327579	423303	411386	1109161	802412	996906	1259788	531406	584440	691045	890276	749548	11280	506328	784397	470133	658306	462743	696647	533690	510016	347849	794926	449960	500337	1215704	658382	547808	894803	415319	544334	22356	683935	646129	411369	585350	615301	720447	559613	736359	355385	685297	419968	14733	685238	342038	Phytochemical	0.22222222	1.2222222	0.0
22	C18 H22 O4	303.1591	303.15945	0.14880915	303.15912	1117439	1246595	958222	1150280	1217247	929795	738260	1116696	970805	1620002	1176458	716871	951303	1129016	899052	1200214	1033906	1344803	1177364	1934454	1970230	1210674	870849	1149468	876807	1826944	680515	1132872	1202045	1025223	957895	1201741	1350571	1190906	1577579	1192119	1442261	809502	1008567	1286956	1287746	881178	61469	29732	23588	857865	840036	30674	1194075	972531	1172234	1117746	1016423	24805	1035531	1062048	748767	1212852	807466	744887	1190917	921346	996085	846041	610662	1246124	1100747	1004820	1431085	2119155	2105640	1047638	953922	927613	824980	1043187	18802	709097	974349	848110	782213	631493	798185	922377	963115	757379	1053445	991371	987688	1133338	1243211	1249675	1341662	915074	1278877	45260	999038	1173770	861239	1208079	1173430	1445508	762193	1208293	659952	1066109	903421	26552	828827	1100243	Phytochemical	0.22222222	1.2222222	0.0
0	C12 H22 O5 N4	303.1663	303.1669	0.11625699	303.16632	1994	3048	2601	3419	1785	20086	0	4861	1082	0	1500	1768	1923	0	1576	0	3261	3298	2021	0	1748	2600	2300	2003	1869	0	0	21758	5988	2180	4002	3107	9854	2616	1441	3240	4367	2374	4727	0	0	4078	0	0	0	0	0	0	2460	0	2835	2225	7838	0	1162	551	1352	4277	566	1068	1827	0	2492	1297	1579	10183	4238	3571	0	0	0	2617	3603	3243	0	2749	0	1949	1994	68883	1842	0	0	0	1532	1623	1521	2628	3303	1821	30547	8794	4203	4440	0	0	2183	3183	644	563	1059	0	2124	0	0	4838	1118	0	1897	2871	Peptide	0.41666666	1.8333334	0.33333334
2	C12 H22 O5 N4	303.1663	303.16687	0.15896446	303.16635	4739	5953	6262	4623	1040	0	997	3574	1436	675	2905	2274	1756	1135	3645	2447	3587	5253	2736	0	0	4646	3125	5905	2572	0	0	19290	3365	1679	2981	3923	4441	2974	1229	2463	3948	2623	4200	0	0	0	0	0	0	782	329	0	3079	1532	5562	4253	1502	0	1630	373	1189	5255	251	364	2931	0	1294	1479	0	2118	1720	4002	0	368	0	2325	2489	2254	539	1182	0	1749	3278	169657	2978	0	458	0	715	1485	5020	2429	2631	20389	32941	9198	10014	13760	0	0	3399	3688	1577	467	860	3258	1927	632	0	6840	711	0	2555	2056	Peptide	0.41666666	1.8333334	0.33333334
18	C17 H22 O3 N2	303.17032	303.1707	0.068729125	303.17035	8816	12898	9807	6044	4145	3831	8044	6206	2677	10075	9797	5016	0	1840	4834	12079	19183	3452	4110	14855	9554	11468	7430	12040	9072	16116	2647	10276	9729	9068	9671	9658	11227	7881	10211	6877	13808	5907	15736	13718	20178	5167	0	0	0	8287	8493	0	11833	9050	8121	10679	4261	0	2106	1723	3693	12707	3240	9815	11453	4864	0	2634	3321	3240	5479	15996	11456	13438	22379	8979	7190	6724	11623	6718	0	4643	9563	15870	4895	4312	7078	9423	2065	1364	20899	8530	5165	24754	34811	15066	16496	7411	8619	0	9763	8387	4889	0	1245	13279	6301	7485	2643	14089	2470	0	14425	2523	Phytochemical	0.1764706	1.2941177	0.11764706
14	C17 H22 O3 N2	303.17032	303.17075	0.05953229	303.17035	21716	20730	23886	21411	7967	6021	14083	19817	5866	27467	16991	15287	2438	6197	11731	29835	37294	9085	8716	32995	40896	28732	10695	33907	15452	52772	14401	21548	15867	18066	17307	19429	27195	19414	28302	16284	21521	10174	37227	29765	47777	10864	0	0	0	19277	29095	0	22691	18499	21601	21993	9285	0	3489	1772	6031	26069	7654	25807	22496	21335	2842	3777	5072	6723	7934	37760	31042	41563	62766	19075	19159	18576	24019	20610	0	11628	18969	22968	16127	12290	13012	27870	3262	3204	20737	16127	9461	61146	38658	25627	47960	19755	37487	0	22965	17155	3542	2694	4825	27822	13149	22281	0	30838	5335	0	19979	4041	Phytochemical	0.1764706	1.2941177	0.11764706
6	C17 H22 O3 N2	303.17032	303.17084	0.11415098	303.17035	49464	50508	47626	53088	12587	20491	30677	62615	10896	87166	43778	31981	9010	10934	34381	62511	41582	18968	29672	108419	116120	67221	31079	77627	48099	82939	30418	53031	49542	51284	49123	52513	66406	53008	109679	52951	65298	30095	58785	65648	58679	22254	0	0	0	48221	59039	0	65565	50055	50555	49968	17741	0	14279	4291	11348	67667	2171	17006	71529	38369	10918	10749	9770	13576	27201	66546	58663	111076	121329	49006	49547	47390	47693	46089	0	28625	34965	62518	30214	11313	9889	56606	8407	11172	42382	27015	25642	122651	86871	27681	111881	54510	108734	0	48530	44303	6498	3530	4562	62495	28703	53452	15732	59270	7139	0	59678	12634	Phytochemical	0.1764706	1.2941177	0.11764706
8	C17 H22 O3 N2	303.17032	303.1708	0.11053201	303.17035	43611	43832	40199	41169	12281	18354	28657	45383	11052	76135	44381	25631	7137	9883	23496	62716	41477	15024	22401	94519	90725	46362	30206	70148	44732	67936	35660	53953	42980	40701	38486	53151	51424	40197	83014	38112	60289	24813	57271	63815	51826	23608	0	0	0	37959	44576	0	59978	43113	37462	42660	16327	0	11121	3502	12060	54326	1226	12749	54263	26268	9061	11076	12707	14210	22764	56059	43557	74316	82701	45624	40267	34667	42636	43952	0	24918	32267	40024	26694	9397	7738	45333	5860	7905	38051	26436	23685	103425	75272	22874	101747	43051	81194	0	45836	39068	8575	5019	5038	53512	23265	34598	10606	54693	7136	0	44595	10167	Phytochemical	0.1764706	1.2941177	0.11764706
16	C17 H22 O3 N2	303.17032	303.17072	0.06869982	303.17035	15538	16044	14739	17511	5476	6149	9994	16352	2183	17322	15625	9988	3157	5113	10891	25427	26982	4388	5722	23089	19366	18580	13891	19681	16080	24740	13879	12366	10663	11457	13122	12802	16137	16354	16846	12528	16771	10109	23135	19750	36242	8155	0	0	0	15389	20465	0	15722	9557	12944	14942	6790	0	3701	2295	6359	19037	7935	22639	14750	14252	3478	3391	3721	4689	7511	26224	17979	24677	36829	13330	9930	9355	24850	16028	0	7360	14213	19659	10543	8961	13932	21542	1368	4266	42934	10050	8193	46477	26046	25541	35619	18151	25434	0	15195	13156	3974	2558	2403	18324	8590	16346	7981	17767	2094	0	27741	4106	Phytochemical	0.1764706	1.2941177	0.11764706
22	C17 H22 O3 N2	303.17032	303.17072	0.18963265	303.17038	7351	7663	6907	8349	4716	3284	11952	9555	0	1973	4432	4071	4102	5603	3764	23593	25001	3863	3858	4519	2558	4871	2757	19645	10111	3374	16836	3384	11161	4312	6334	10750	28527	8585	2036	10454	30238	5312	31398	3087	4503	6145	0	0	0	3148	2995	0	15077	3527	8985	9271	5741	0	1671	0	2067	18962	0	2475	17562	1856	3463	1311	2704	3660	6076	28876	1931	0	2636	7944	6174	4527	12806	5111	0	5752	5145	3464	5742	1841	2183	1665	1936	3837	9425	14127	6259	23938	7657	5074	14304	1577	2364	0	6804	9474	4319	4256	2901	32516	4019	3365	1338	31464	4180	0	10859	3026	Phytochemical	0.1764706	1.2941177	0.11764706
2	C17 H22 O3 N2	303.17032	303.1709	0.094833896	303.17035	32816	32128	29795	29588	4490	0	27115	51167	4200	36581	20447	25140	2854	5859	27993	41848	43611	8986	11865	45039	56433	34327	23975	50904	30263	29194	19911	23511	55313	58956	42946	50829	46145	41372	44212	62322	46485	24823	43822	40284	35847	18174	230	0	0	23253	25950	0	58747	40422	30826	28825	9547	0	7518	2134	6689	47987	4048	7521	39023	18708	3599	6919	6137	7850	15506	55426	21078	36598	41402	46101	52326	61696	50374	56100	0	26776	25968	45291	24113	8776	12253	26855	2756	7845	22498	13830	14033	62641	37055	22851	61386	28103	38862	0	32692	34085	3667	1287	1956	42741	24397	42794	12684	39290	2572	0	28816	3836	Phytochemical	0.1764706	1.2941177	0.11764706
0	C17 H22 O3 N2	303.17032	303.1709	-0.07186314	303.1703	6046	6419	7029	6738	0	0	6041	8848	727	4372	4364	6737	0	0	6554	2624	10215	1699	1363	5478	8539	5399	5768	6580	2639	3941	2334	13152	7413	4499	8912	6783	5935	9282	8096	8825	5998	5697	10957	5824	9649	5070	0	0	0	3198	3402	0	7247	7514	4367	4722	1033	0	983	0	1802	6693	2236	3619	3234	4628	0	0	3293	0	2783	9258	2784	2673	2577	6302	7505	8840	2081	8527	0	5791	6192	21753	5562	1911	4875	9517	0	1958	6771	3375	2623	8701	10715	7214	12182	9244	3019	0	6095	7030	614	0	0	5535	0	5937	2633	6690	530	0	6499	0	Phytochemical	0.1764706	1.2941177	0.11764706
10	C17 H22 O3 N2	303.17032	303.17078	0.13787717	303.17035	31670	30387	29636	30182	9753	16165	16401	30418	7373	58979	29916	16685	4261	10799	18636	37616	32066	11974	18424	58128	61540	28001	18767	44220	26084	60930	20730	35796	24778	28581	27426	32356	35645	30036	52438	27695	42838	15195	35739	45618	44530	16228	0	0	0	25375	30320	0	35493	25981	33972	35822	13478	0	9278	4017	6781	36437	2453	13305	35779	17916	5686	7759	7283	11223	15970	44633	39148	60742	74283	29191	22846	24379	28875	26832	0	16385	21751	30803	23298	8301	6732	32743	5029	5793	23852	21146	15971	59702	433220	18671	66851	29094	60415	0	33417	35130	5725	5063	3450	44182	16412	23020	0	33021	5779	0	21082	8081	Phytochemical	0.1764706	1.2941177	0.11764706
4	C17 H22 O3 N2	303.17032	303.1709	0.13066456	303.17035	39421	40820	35969	37784	9177	14965	26210	61148	8090	60190	28301	25675	5983	10273	30829	58085	45822	15377	23634	68222	82214	57046	32001	62292	40625	46383	29774	42898	44555	39369	39921	48636	56143	40806	73069	50715	50603	27197	49003	59689	46374	19266	0	0	0	39524	46448	0	51928	48169	41235	32879	13607	0	13577	4656	9865	48905	3088	10587	50188	35742	8607	10751	7218	12383	18704	50927	34801	60878	58935	40726	40677	47539	50498	37244	0	31891	32382	73777	28994	10222	12986	41988	5372	10674	34333	20023	20474	81531	67136	26644	89657	44166	80116	0	39531	44198	6826	3389	4265	52569	28528	56614	17965	48094	4372	0	45925	9130	Phytochemical	0.1764706	1.2941177	0.11764706
12	C17 H22 O3 N2	303.17032	303.17078	0.10396523	303.17035	27321	29760	31079	32333	11924	14109	16096	23630	9054	67396	35645	11579	9172	10313	14608	26505	25739	12863	20856	110617	105158	69377	15457	39574	25146	208790	18316	37263	25846	19980	22496	24878	37118	23393	77920	22480	36004	10145	36732	80170	114753	11027	0	0	0	45286	72193	0	25461	21966	30077	27775	13499	0	12092	7367	8429	30852	7617	18592	16819	41032	9148	7093	5985	11041	15840	35123	162140	231899	324919	22719	20390	17810	23185	22223	0	14937	17391	47516	15325	25375	11158	49298	7582	6198	22582	14691	15501	43495	45218	20617	44884	62369	90092	0	37093	35787	7518	7337	6739	31533	15841	24312	20846	30957	7774	0	20116	9470	Phytochemical	0.1764706	1.2941177	0.11764706
16	C15 H26 O6	303.1802	303.18054	0.17243296	303.18027	0	0	3306	1966	2636	2091	5800	2382	0	0	0	1410	1804	3469	3459	4217	4520	0	1866	0	0	0	1291	0	2529	0	6315	3145	3451	2308	3593	0	2898	0	0	3243	3176	1992	3034	0	0	2582	2373	1256	638	0	0	1017	3621	1795	1837	2193	1426	912	0	1048	1997	2734	0	0	0	0	0	1127	5234	1848	2295	3274	0	0	0	3047	0	4646	4338	3305	856	1417	0	8741	1184	1359	20835	10867	1393	1240	5414	2566	1146	0	0	3273	0	0	0	1365	2926	0	2106	2669	1606	2703	0	0	0	0	1299	1274	2636	0	Lipid	0.4	1.7333333	0.0
16	C14 H26 O5 N2	303.19144	303.1916	0.076626316	303.19147	0	0	0	0	0	0	0	0	0	22124	7089	0	0	0	0	0	0	0	0	0	0	0	0	1670	0	0	0	1948	0	0	1764	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1769	0	0	0	0	0	1700	0	867	0	0	3383	1502	93779	3108	0	5900	0	0	4688	0	0	0	0	0	0	0	0	1575	0	0	0	0	0	0	1546	0	0	0	0	0	0	0	0	0	5895	0	0	2646	0	0	0	0	0	0	0	0	0	14426	23192	0	0	0	0	0	Peptide	0.35714287	1.8571428	0.14285715
6	C14 H26 O5 N2	303.19144	303.19196	0.17117675	303.1915	8880	8990	7769	7086	15892	5058	3414	11758	8566	2838	1575	3920	15139	3076	10795	9949	4504	8373	7265	1557	625	7070	7074	10345	8911	0	2651	9099	8512	6504	7499	8142	8422	9626	3085	7128	9755	6439	5482	0	0	3429	0	0	0	3322	0	0	11932	10317	8129	8059	5884	0	11718	2996	2179	10628	1006	0	10188	0	13266	6033	2156	9106	5973	6228	0	0	0	10048	7063	7379	3386	6035	0	4091	6797	4996	2995	641	637	0	2335	4310	8784	3826	6311	13650	96883	194565	18657	736	1621	0	9578	6594	3536	2350	3857	9100	3795	2271	0	9122	3623	0	4488	14413	Peptide	0.35714287	1.8571428	0.14285715
4	C14 H26 O5 N2	303.19144	303.19202	0.17287318	303.1915	5902	5765	6065	5739	7228	5628	2655	6477	5885	1825	0	1558	13056	7723	5292	6500	2496	6786	8593	2264	1499	6097	6125	8159	7964	422	2765	3596	9764	3763	6093	10189	10073	7543	3387	6370	6919	4719	4600	0	0	3535	0	0	0	3995	0	0	7020	3482	5664	5191	6299	0	7380	4659	2270	9014	696	673	7889	0	11577	3979	1611	9646	4923	3215	0	0	0	6302	5540	5966	2345	4431	0	2852	4395	0	2466	854	797	0	5283	2957	7949	8567	4878	6497	22568	15765	14475	1152	0	0	5939	6524	4084	4512	6134	7490	3248	2438	0	9611	4628	0	4744	12506	Peptide	0.35714287	1.8571428	0.14285715
8	C14 H26 O5 N2	303.19144	303.1919	0.2057095	303.1915	5371	6061	6218	4892	2811	2102	1490	4772	1910	1195	0	1710	3721	2064	2174	3652	1965	4127	2298	0	811	6133	2859	8132	6058	0	1573	5197	2547	3517	6153	5815	3541	3935	1226	2324	2844	1964	3757	2008	0	1281	0	0	0	0	1107	0	3434	1993	4769	7182	1894	0	1313	1293	865	9196	0	0	0	0	5213	1492	0	4666	2244	2958	0	0	0	5841	4208	2648	1353	3859	0	2731	3693	5017	1831	585	708	0	1200	0	4356	1449	2300	7286	121237	212696	16806	0	0	0	5117	4467	0	1622	1968	2007	1773	0	0	6329	0	0	2384	7171	Peptide	0.35714287	1.8571428	0.14285715
10	C14 H26 O5 N2	303.19144	303.19183	0.17117174	303.1915	2516	2142	3088	3404	886	0	2542	2803	0	0	0	2474	0	0	2265	6484	2726	1293	1618	0	0	1902	1791	4140	2060	0	1702	4390	2335	1462	2430	2410	4798	4999	0	2996	2639	1961	4878	0	0	1847	0	0	0	0	0	0	3075	1537	2288	2657	1154	0	0	0	711	6233	0	0	0	0	0	0	0	2993	0	4071	0	0	0	1658	2504	1074	2569	0	0	1088	2297	0	1840	717	0	0	0	1156	5029	0	2688	4779	45170	79049	5588	0	0	0	2601	2163	0	0	887	2319	2281	0	0	2471	0	0	3333	1167	Peptide	0.35714287	1.8571428	0.14285715
20	C14 H26 O5 N2	303.19144	303.19193	0.48893914	303.1916	1929	1873	0	0	0	0	0	0	0	0	4342	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	116180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1883	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11652	0	0	0	0	0	0	0	0	0	0	30216	38014	0	1895	0	0	0	2675	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35714287	1.8571428	0.14285715
2	C14 H26 O5 N2	303.19144	303.19205	0.25185427	303.19153	17700	18210	18938	17388	9169	0	7696	19542	8162	3791	2037	7320	12153	12341	9387	24792	14438	13746	12349	5258	3105	9920	11631	49894	9270	0	5497	4686	27156	13138	19745	46034	18365	48502	5352	35276	18927	7570	16372	1825	0	6089	0	0	0	10681	1076	0	19194	10594	16224	19064	9059	0	9747	3262	2277	31162	1356	842	18956	425	13323	9735	3943	12889	12180	25714	0	1746	703	14710	17379	18087	16693	13898	0	8260	49706	19696	6470	1229	1542	805	5127	5890	140301	230633	13361	86294	20844	23370	24997	1598	2650	0	19689	19013	3645	3484	5093	14012	7093	4739	1116	17720	4639	0	7527	16576	Peptide	0.35714287	1.8571428	0.14285715
20	C19 H26 O3	303.19547	303.19583	0.11577208	303.1955	577992	589141	567581	514728	472758	343948	657297	579125	370245	510998	474568	442346	361605	468255	464607	840286	1193212	386046	557219	610441	640249	470811	363914	541918	430638	1160971	733264	475990	608078	596379	422562	646785	689430	538369	502848	650064	655590	408467	1135472	416287	648265	458644	21397	7318	3886	326894	427874	9727	632859	531365	569735	566039	406888	8627	400706	469723	364114	751956	291940	505029	613629	274116	381154	363692	312696	421368	449381	1190170	734176	819303	1227599	394544	527379	638609	1101840	620050	3965	350563	604165	466352	425305	233177	576081	515308	535684	406764	774719	431021	444574	1119602	622902	557266	701947	375191	454426	11708	550721	582715	542953	743286	858868	841306	404492	533508	261879	578716	489611	6987	578726	359552	Lipid	0.15789473	1.3684211	0.0
16	C19 H26 O3	303.19547	303.1959	0.14589983	303.19553	88959	101224	80609	89510	67706	52137	129458	110068	63145	49336	51911	80571	50805	60427	83874	150392	225151	56972	77735	62255	64181	81134	74163	104041	94683	90963	134658	45945	95724	106135	81021	107579	108061	72107	59397	116645	87127	83840	232540	46274	71117	63742	5051	2961	3734	51726	59316	4045	107526	92074	105029	107035	67326	3297	67432	75545	57975	137817	46773	87860	112974	36365	70729	56634	54444	53453	70094	235063	72346	75632	105233	57602	73460	111448	193975	108306	3136	63593	136267	71293	91669	48053	103056	74003	101198	69991	161255	58019	62980	269515	99094	80677	123777	54714	61027	3549	99417	93749	86942	131068	160894	112107	65796	74999	36407	107216	77236	2965	114623	42209	Lipid	0.15789473	1.3684211	0.0
18	C19 H26 O3	303.19547	303.19586	0.13121928	303.19553	279791	267236	249456	240519	208470	153296	319550	284661	140254	183915	189749	201581	167446	183611	207159	398933	590911	150798	226420	231134	234939	196628	200761	287063	207072	367321	360581	210646	297789	319658	255599	319954	304984	252002	187677	325885	281734	222056	631436	152745	247489	195078	10773	3349	3420	127481	166722	5069	320269	279773	263609	263264	174172	5466	193234	201480	168842	353001	134929	254454	289101	112104	179655	154956	157342	183957	205301	699097	262851	286567	441536	165720	207814	319772	594542	340015	2997	154505	305291	193772	235453	139299	252824	213132	268779	218919	356912	193266	192101	584022	288406	281616	339974	153870	194006	5768	258404	251703	234737	338089	383006	356127	193225	232476	95960	262306	200474	3253	296924	122635	Lipid	0.15789473	1.3684211	0.0
22	C19 H26 O3	303.19547	303.19583	0.10554732	303.1955	914383	951958	789513	905125	843406	599525	915875	888539	613388	866943	847639	638348	603783	760902	697963	1229352	1379462	754811	844606	1124137	1186412	924377	595790	797430	737262	1946436	931010	823910	954745	901250	714982	983529	996528	907758	853247	1070194	1001285	649793	1304860	812678	1008872	963741	32417	11260	6539	568657	787316	14502	937978	823664	923197	877041	697165	12897	717430	800058	606482	1218589	530417	734113	1031758	544293	672484	603159	471643	820867	782583	1364172	1301557	1681981	1970506	659059	747555	870163	1084461	958886	6395	563576	833601	901784	627159	527255	804538	767183	795186	685077	1036444	728604	751687	1714301	1190114	1110945	1242889	856680	1074254	16947	810003	930260	835022	1121201	1112945	1233466	600103	882032	485393	916105	709012	10938	793026	584161	Lipid	0.15789473	1.3684211	0.0
12	C19 H26 O3	303.19547	303.19592	0.15259194	303.19553	18017	21546	12487	16297	7781	5484	18777	14507	7162	5132	5971	11189	3247	7329	11203	29223	25463	5010	7635	6962	3371	14576	10399	18822	12372	6319	35713	0	17031	16982	9554	17362	12336	8941	5401	18137	10377	16555	23972	5624	5030	7848	2331	2405	2626	8438	8705	3835	16506	19875	12167	17281	7357	1861	6620	9586	9753	29474	8067	16404	16538	3316	6676	4510	5246	5412	6458	29554	0	7001	5495	7063	10443	13003	29800	19895	1604	7758	14474	0	14295	6468	9421	4779	10184	7210	18458	6002	6526	40258	10913	15553	18942	4748	13039	3050	17706	14459	9458	15919	19884	18477	12401	11348	0	18278	7964	2374	12963	2858	Lipid	0.15789473	1.3684211	0.0
14	C19 H26 O3	303.19547	303.19592	0.16886261	303.19553	38861	38877	37794	31408	21134	19072	54055	40462	23336	12566	20909	29230	12685	20667	36791	51614	77322	16588	14975	17774	20168	33308	24638	40428	37571	23373	53253	17216	37104	39402	30052	40157	31128	25212	23190	38716	32860	32164	81774	16708	24767	18002	3851	2432	2482	20980	25119	3924	31283	37610	40311	35937	18751	1999	23883	25434	25125	52374	16686	30375	32636	11896	15687	16578	17860	16566	18516	87130	19693	26492	30915	26586	25766	35800	64313	35560	1939	27525	47730	21625	40069	20771	38737	22863	38194	27058	55831	16790	23003	123053	30257	31872	55004	16718	24611	3138	37908	35630	28515	52757	53048	34037	27606	25125	0	42344	28504	2172	43299	12780	Lipid	0.15789473	1.3684211	0.0
24	C19 H26 O3	303.19547	303.19583	0.18539105	303.19553	952940	971256	852767	926838	931406	611978	734069	867726	656579	1079718	1157414	603398	923584	852016	661820	1348547	1171264	773912	1136415	1416802	1416983	1147729	646808	940626	664542	1674961	697455	1129645	875882	883156	669012	1033863	1030516	885628	1143600	1093527	1007800	554358	1143450	949231	1095071	974851	35517	10850	13850	689003	793471	15727	951397	813356	941657	918849	744374	20945	809421	889000	514016	1344314	554651	669270	1208730	663537	717072	603386	412344	972132	822362	1103048	1285298	1404928	1547418	731793	791553	950779	968072	953759	12495	619290	815689	1172330	580552	593548	702873	842230	792954	568225	1012743	623572	748622	1641030	1488828	1267084	1433171	1154666	1477590	18158	925340	1002071	812535	1077933	1209439	1188274	518319	1000931	560976	974460	665521	13890	780000	636217	Lipid	0.15789473	1.3684211	0.0
0	C13 H26 O4 N4	303.20267	303.20316	0.0686647	303.2027	0	0	0	2319	0	0	1584	4157	0	0	0	1516	0	0	2718	0	2060	0	967	0	0	0	2725	2531	0	0	0	4205	4095	0	2448	2690	8764	2072	0	2718	2090	1815	2541	0	0	0	0	0	0	0	0	0	2155	1732	0	0	0	0	413	0	1293	1895	0	0	0	0	0	0	914	0	0	2844	0	0	0	1887	2961	2463	0	1782	0	1429	9367	15075	3139	504	0	0	0	0	30210	0	0	3130	12553	4224	3888	1427	0	0	0	2306	544	0	0	0	0	0	0	2996	0	0	3228	968	Peptide	0.30769232	2.0	0.30769232
4	C13 H26 O4 N4	303.20267	303.2032	0.23308109	303.20276	1629	2110	1497	1357	0	0	726	0	0	0	0	1254	0	0	5834	971	1474	0	0	0	564	7078	13342	7194	7042	0	0	0	0	0	0	3055	2947	1611	0	997	1093	5020	853	0	0	0	0	0	0	1751	0	0	0	0	1749	1342	0	0	0	0	0	1680	0	0	1833	0	0	0	0	0	0	3239	0	0	0	0	682	0	0	601	0	1842	16203	0	31911	716	0	0	0	564	8868	0	0	8497	17216	48627	21498	749	0	0	1301	1279	0	0	0	1746	1670	0	0	9126	0	0	7314	0	Peptide	0.30769232	2.0	0.30769232
14	C18 H26 O2 N2	303.2067	303.20718	0.19718328	303.20676	1854	2078	2527	2097	0	1621	0	0	1837	4363	3519	1110	0	1695	0	0	0	0	0	17681	15702	0	0	2444	1185	102035	1347	0	2282	1330	1337	0	2136	2685	0	2508	3444	1140	0	9118	0	1233	0	0	0	1507	0	0	0	0	1928	2956	1416	0	0	949	0	2489	0	0	0	2468	0	0	917	0	1131	2399	56468	67676	69991	1147	0	0	1362	1521	0	0	0	0	1503	0	0	7983	0	0	0	1407	0	0	0	0	0	0	1496	0	4150	3380	0	0	0	2302	0	0	0	2073	0	0	0	0	Lipid	0.11111111	1.4444444	0.11111111
26	C16 H30 O5	303.2166	303.21674	0.40702608	303.21674	0	2204	0	4638	0	0	3119	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37453	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2846	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91851	0	0	0	0	0	0	0	0	0	0	112786	129211	0	10297	0	0	2052	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3125	1.875	0.0
20	C16 H30 O5	303.2166	303.21667	-0.011653615	303.21658	0	0	0	0	0	0	1245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2292	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	493	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1642	0	0	0	0	0	0	0	0	0	0	0	0	64060	0	0	6157	0	0	0	0	0	0	0	33301	11253	0	2990	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3125	1.875	0.0
22	C16 H30 O5	303.2166	303.21707	0.14213303	303.21664	2332	3263	0	2201	0	0	1308	0	0	24090	10049	0	0	0	0	0	0	0	0	0	5410	0	0	0	0	0	1446	0	0	0	0	0	0	0	1811	0	0	0	0	12547	4241	0	0	0	0	0	5273	0	0	0	2142	0	0	457	0	0	0	0	30339	0	0	38967	0	0	2772	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6462	0	0	0	0	0	0	0	0	0	0	8670	0	0	3786	0	0	1943	2286	0	0	0	0	0	0	454048	0	0	0	0	0	Lipid	0.3125	1.875	0.0
24	C16 H30 O5	303.2166	303.21686	0.27328253	303.21667	1073	0	1050	0	0	0	7372	0	0	0	3299	0	0	2283	0	0	0	0	0	0	0	0	0	0	0	0	4619	11882	0	0	0	0	0	0	0	0	0	769	0	1125	0	0	11635	0	0	0	0	0	0	0	1533	0	0	0	0	0	0	0	11870	0	0	10556	0	0	9018	0	0	0	0	0	1351	0	0	0	0	0	0	0	0	39471	0	732	7166	4011	0	6837	0	0	0	0	29010	20042	0	4535	0	0	1027	0	0	0	0	0	0	0	91354	0	0	0	0	0	Lipid	0.3125	1.875	0.0
18	C20 H30 O2	303.23184	303.2322	0.15124802	303.2319	5091	11035	7070	7612	2267	0	9200	17163	2182	0	2435	5454	0	2642	6157	18271	22751	0	0	0	0	6619	7439	6877	13896	2003	9075	3325	8708	4997	5360	8014	6319	4385	0	7876	4797	4296	19795	0	0	2723	0	0	0	2241	5988	449	8254	12024	8391	5914	2613	281	3283	1990	3362	15392	2072	3478	13997	0	2097	0	3347	0	3124	26326	0	0	0	2743	3263	12577	25844	7209	277	4081	11841	11330	8988	6949	5438	2327	5779	5191	22158	1706	2207	101285	12965	11536	33428	6691	4262	0	4261	4403	2161	4884	6668	12494	3758	2249	2939	10536	5318	0	18232	0	Lipid	0.1	1.5	0.0
14	C20 H30 O2	303.23184	303.2324	0.22068231	303.23193	0	0	0	0	0	1867	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1270	0	0	0	0	0	0	0	0	0	0	0	2593	0	0	0	0	0	0	0	0	535	0	0	0	0	0	239	0	0	0	0	0	0	0	0	0	0	0	0	0	2548	0	0	0	0	0	0	2171	0	0	0	1319	0	0	0	0	0	1427	0	1241	0	0	20611	0	0	3201	0	0	0	0	0	0	2442	1901	0	0	0	0	0	1381	0	0	0	Lipid	0.1	1.5	0.0
22	C20 H30 O2	303.23184	303.23224	0.1252727	303.2319	87414	111087	83292	100057	47468	31413	181530	143506	31358	19564	36170	64569	19576	83108	97322	239038	275015	34127	45918	29563	30471	118162	102563	141559	180813	48733	192459	45482	84992	98925	64632	121376	81715	85674	23829	127308	65756	102569	279977	21928	55121	40534	4213	0	802	52187	83187	0	73728	144205	103007	92749	57064	1003	41637	73119	53089	222311	43641	88921	198023	20963	33834	33995	59929	45431	67211	274632	27386	34160	45050	45993	58428	74042	256319	106359	384	47302	226371	126238	112691	67170	111354	79571	157512	82120	301521	45147	51375	934185	146962	131474	342454	70315	72658	0	90102	105267	71947	174121	130227	109613	64324	57877	49510	151425	87402	0	239443	20426	Lipid	0.1	1.5	0.0
24	C20 H30 O2	303.23184	303.2322	0.14583914	303.2319	261278	265191	232636	242060	133351	85774	502834	458275	87362	92367	161343	175331	88463	206671	253232	734639	562652	81650	155719	106861	107996	278306	240702	493965	382180	230183	491828	225581	240250	300252	192418	322530	204349	227909	100280	345059	197877	242771	527675	99526	181759	139661	13814	3022	0	159775	219501	4550	220579	488352	245738	248860	134306	6313	128289	123738	116320	584277	123801	226622	537954	78879	113480	81801	149206	148299	211522	500758	131229	128221	165557	224435	174377	249650	521616	293952	6296	157005	441768	504355	265533	196704	254214	203504	163720	142907	749269	119748	155984	1691032	446249	368010	772233	230954	250207	4126	256576	270564	138850	149926	175145	280155	151849	223586	147621	360116	150840	4615	507451	69730	Lipid	0.1	1.5	0.0
28	C20 H30 O2	303.23184	303.23227	0.19562094	303.2319	58339	49140	52821	51432	44525	26956	81062	75373	36777	23534	49656	40453	40099	50842	51052	92370	72904	29833	47608	41634	31821	62556	55730	66827	86447	60767	70101	80813	74529	75343	46858	65806	58678	50372	29982	89407	46169	55651	72069	30133	42562	45562	13820	13199	21338	43148	41846	13497	52109	73883	54761	50896	44105	24236	48949	77222	35358	106450	50310	47068	93595	34915	25046	33768	38374	48211	74935	79341	53573	28736	32955	28934	38264	66543	56201	50997	22426	38671	92812	130502	40440	49899	56940	51880	60608	41058	306467	31426	39606	188254	100274	106909	101446	88821	48106	11148	48209	58424	52164	90988	113374	81081	41597	61339	62478	77889	71226	11957	86652	23372	Lipid	0.1	1.5	0.0
20	C20 H30 O2	303.23184	303.23224	0.1356991	303.2319	28724	30837	29657	26403	7529	4576	46899	39602	7301	3628	4319	18807	2740	14159	29776	75960	76429	3659	5877	3425	2678	29388	30311	38687	52929	5788	51745	5466	15770	21271	17171	31372	16357	16333	2212	28612	18772	29599	87391	2553	9670	9204	1692	0	0	12348	24213	984	19433	36559	32534	30448	12975	330	11655	13624	11496	67214	6490	22166	39429	2745	7569	7164	16847	6987	13220	86723	4781	2612	4040	10167	17115	25142	73377	22623	0	12339	81606	34877	35710	16374	34390	16789	17590	16153	105319	8863	12870	449500	53040	37818	101884	13920	17557	0	30656	30251	9443	21763	20630	27722	15717	11047	14359	43662	16931	0	72760	5467	Lipid	0.1	1.5	0.0
26	C20 H30 O2	303.23184	303.23227	0.16838697	303.2319	275827	261463	264109	248009	180641	111307	463282	384945	131282	80179	224638	172971	131326	239697	250576	542191	410002	113016	206351	143216	129051	322764	222305	409263	405001	325560	456801	410265	307807	313223	199445	339495	278533	212026	115032	460985	223374	270454	421844	191363	248361	165665	21293	8905	17446	188266	198412	11670	226590	370985	282661	258057	170961	15689	167007	175999	139326	604364	162385	229463	509403	130823	129072	120535	138747	165027	283380	455983	191729	151278	179706	143142	208602	286738	392319	287898	12857	175914	466562	598887	232894	252407	281496	249641	199651	184472	1267205	125132	166301	1574979	528359	416770	644754	377001	258013	11688	270933	295254	169026	247333	271572	390379	164428	262220	223114	347528	200176	11937	538371	87870	Lipid	0.1	1.5	0.0
16	C20 H30 O2	303.23184	303.2322	0.09492758	303.23187	0	0	0	0	0	0	2739	2829	0	0	0	1029	0	0	1702	2491	4932	0	0	0	0	0	0	0	3852	0	1782	0	0	1553	0	0	0	0	0	0	0	1775	4878	0	0	0	290	0	0	0	0	382	0	1070	1994	0	0	0	0	0	0	3882	0	0	0	0	0	0	0	0	0	5144	0	0	0	0	1224	0	3273	0	0	0	4518	0	0	1098	0	0	1804	0	4619	0	0	53501	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3988	0	Lipid	0.1	1.5	0.0
10	C14 H30 O3 N4	303.23907	303.23944	0.20734285	303.23914	5151	7075	8922	7341	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	58127	61762	85319	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11998	0	0	0	0	6242	6002	0	0	0	0	0	1523	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8691	8815	53151	0	0	0	0	0	2925	0	0	99180	3838	0	643829	0	0	0	5732	5775	0	0	0	0	0	0	0	172228	0	0	0	0	Peptide	0.21428572	2.142857	0.2857143
28	C17 H34 O4	303.253	303.2534	0.18053025	303.25305	1467	0	1174	824	2082	7653	3799	6667	3392	3750	4510	3745	2726	2771	7166	4021	4999	5023	3285	3048	3292	2209	4358	2805	3778	6551	3462	6134	3916	4737	2869	2512	2704	4544	1766	4596	3367	8533	3923	2789	4493	5433	5403	2675	5362	4138	4726	3109	2225	4164	1182	1298	2859	5282	3935	4662	2533	1804	4309	5314	3618	4351	2436	2354	4117	2740	4489	0	4140	3267	2484	2559	3724	5481	3653	2782	5374	4721	4336	7005	3465	3728	3582	3308	4666	3758	2263	2562	3127	1540	35306	29649	2212	4634	2930	3883	1180	0	2410	3420	5127	4028	3380	6345	5980	4915	4583	4170	3712	2693	Lipid	0.23529412	2.0	0.0
24	C17 H34 O4	303.253	303.25308	-0.014580819	303.253	5721	3275	2597	3661	0	0	1811	0	0	0	1197	0	0	4885	0	0	0	0	0	0	0	0	0	0	0	0	1528	14117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2519	4319	0	0	0	0	0	0	0	0	0	0	0	0	1760	0	0	0	0	0	0	0	0	0	0	0	0	0	0	131614	0	0	0	0	0	0	0	1517	0	0	142449	155685	0	16825	2704	0	5433	3963	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23529412	2.0	0.0
26	C17 H34 O4	303.253	303.25317	0.17464885	303.25305	0	0	0	0	0	0	2494	0	0	0	0	0	0	0	9783	0	12129	0	0	0	0	0	0	0	0	0	2546	6636	0	0	0	0	0	0	0	0	0	19108	10674	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6328	0	0	0	0	0	0	0	0	0	0	40328	0	0	0	0	0	0	0	0	0	0	4109	8181	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23529412	2.0	0.0
28	C21 H34 O1	303.26825	303.2686	0.30883503	303.26834	2968	2107	2528	1562	810	926	20688	2094	1002	0	4609	2240	0	3422	2540	2456	3300	0	0	0	0	0	0	0	3232	6127	12840	6888	3171	3836	1946	3318	1215	1538	0	2948	1017	2298	3767	995	2376	0	1718	1467	0	0	2138	1197	2647	2847	1522	1000	1201	0	0	0	1698	0	1715	2593	3177	2060	1070	948	6362	0	3352	2880	4342	1929	2057	1290	1388	0	3700	2586	0	2250	3315	5762	1661	3809	3718	3903	0	2438	6164	1266	1882	3590	4639	3417	0	2635	0	0	1932	2218	2016	1071	1702	0	2243	0	3259	1768	1700	1401	1869	1044	Lipid	0.04761905	1.6190476	0.0
24	C21 H34 O1	303.26825	303.26834	0.15260021	303.26828	0	1513	1343	0	0	0	29645	0	0	0	0	0	0	7043	0	0	2812	0	0	0	0	0	0	0	0	1732	30318	2380	0	0	0	0	0	0	0	0	0	1309	4018	0	1384	0	0	0	0	0	1086	0	0	0	1195	1418	0	0	0	0	851	0	0	2663	2120	0	2220	0	7591	0	1898	0	0	0	0	0	0	0	1885	0	0	0	0	2252	0	1727	6585	6113	0	0	4452	0	0	7139	2413	0	0	0	0	0	0	0	1418	0	0	0	0	1856	0	0	0	0	0	0	Lipid	0.04761905	1.6190476	0.0
26	C21 H34 O1	303.26825	303.26852	0.19032781	303.2683	5827	3739	3980	3463	0	0	95678	0	0	0	6997	0	0	34896	0	0	7568	0	0	0	0	0	0	0	0	15635	107501	12175	0	0	0	0	1585	0	0	5304	1930	3642	9613	0	6903	0	0	0	0	0	0	0	2182	0	4288	3058	0	0	0	0	4972	2220	0	6428	10313	2514	6396	0	42173	2349	6876	8716	11364	3240	3638	0	0	0	0	2996	0	0	4941	13374	0	8187	12040	16387	0	0	18249	0	0	10979	4502	3470	0	3006	0	0	6343	5608	5788	0	0	0	0	5571	0	1968	0	0	4917	0	Lipid	0.04761905	1.6190476	0.0
14	C14 H9 O7 N1	304.04517	304.04565	0.29324055	304.04526	7767	8036	3631	6832	13784	7984	2912	2667	12697	0	2071	3771	16269	7957	3207	4204	4150	14223	13859	0	1555	8634	5194	7448	2286	0	2781	0	2361	2004	2912	0	8644	1610	4480	1660	7532	6638	9109	0	0	7721	0	0	0	1707	0	0	2965	0	7524	5054	8969	0	10153	7182	5397	8973	0	0	0	1534	18373	12383	5983	18813	6048	7766	0	1513	0	1570	0	0	2718	1794	0	1904	8994	0	3590	0	2159	0	9444	5134	10769	12000	9312	15409	0	0	14228	3786	5025	0	4507	5318	6229	13215	14421	8551	1870	0	0	9205	6971	0	3769	21911	Phytochemical	0.5	0.64285713	0.071428575
20	C14 H9 O7 N1	304.04517	304.0456	0.28405374	304.04526	6039	6927	7427	4101	12885	5691	2278	2042	331068	0	1656	2842	5281	0	2568	2788	4811	14945	11289	0	0	5162	2883	5035	0	0	1920	2730	0	0	0	1401	0	0	0	0	6604	2443	5115	0	3523	6682	704	565	888	0	0	1249	0	0	5630	6903	11525	691	35685	2729	3077	2350	0	2218	2753	1601	124028	36755	2886	6534	4492	2739	0	0	0	0	0	0	2285	0	587	1210	4795	5416	6195	0	0	0	57284	10339	6466	7898	5835	16131	0	0	3798	6951	3671	0	4760	6664	12564	5697	5425	3543	1615	0	0	2193	9364	0	2901	289637	Phytochemical	0.5	0.64285713	0.071428575
12	C14 H9 O7 N1	304.04517	304.0457	0.40105137	304.0453	5061	3712	2323	4382	10824	4546	0	1482	9492	0	0	1117	12522	3713	3166	3102	2557	10425	14934	1653	1821	5587	6305	0	0	0	0	0	1355	0	974	0	5787	0	0	0	4687	3045	5170	0	0	4312	0	0	0	0	0	0	1404	2283	4380	6115	8141	0	11291	6243	3909	3308	0	0	0	0	20468	10959	4240	13977	7013	0	0	0	0	1291	0	0	2724	914	0	1452	4249	0	4235	765	999	0	12453	4165	6781	8486	8304	7867	0	0	9601	3627	2023	0	5697	4029	6093	10429	6396	5195	3532	0	0	3981	5700	0	3062	21219	Phytochemical	0.5	0.64285713	0.071428575
16	C14 H9 O7 N1	304.04517	304.04562	0.25564343	304.04526	7519	10872	7281	10300	17169	10334	5698	5918	17564	2669	0	5918	20335	8755	2898	11413	10009	24096	27645	0	0	13327	9658	10424	1598	0	4661	0	5270	3767	7098	3574	10796	6184	3655	2986	9958	5276	12340	0	3712	12014	419	454	456	2288	1695	621	5307	2588	9463	7162	12384	0	9866	7875	9209	11131	1700	3226	14560	1115	28419	15653	5957	30580	10454	11137	0	0	0	4115	4439	0	8328	6732	0	3472	18468	7646	12328	2374	0	0	14073	7323	13725	16022	18009	23950	0	5391	0	8166	3939	0	7667	6631	8950	14570	15272	11516	6970	2992	0	12499	8756	479	6203	29891	Phytochemical	0.5	0.64285713	0.071428575
20	C15 H13 O6 N1	304.08157	304.08197	0.23362394	304.08163	23827	23579	20709	16203	32016	20562	8397	9732	21203	31397	25092	11256	38005	14688	14243	18877	15073	37966	34160	9779	21276	46336	17125	21724	14109	9944	7189	16114	12644	6786	10646	7833	20531	10992	29707	9687	27504	12589	17613	25846	46529	19722	2672	889	1618	13589	24369	1677	13157	8686	20693	19381	28064	1867	17271	14952	12398	24111	10389	14049	19459	18837	31641	22228	11026	32946	22577	18660	16871	14917	32307	7554	5275	4499	5701	10925	1461	11415	27551	49080	13671	15843	9049	21035	29006	15636	25587	27599	24777	36182	21499	25751	41328	56178	43581	2016	25839	12532	13437	23134	16909	19580	10369	20563	8277	23169	12773	1751	16926	47230	Phytochemical	0.4	0.8666667	0.06666667
22	C15 H13 O6 N1	304.08157	304.08197	0.21322316	304.08163	8928	8418	9949	8722	6488	9943	4977	6041	10103	12209	12468	7442	8254	5303	7172	7994	7936	12341	15130	2297	10008	23505	8597	7266	4014	2546	2584	4738	6569	6085	7376	3801	13087	4166	11499	6563	10222	7124	11076	9694	18169	8499	0	0	1671	8238	12320	0	8561	3233	12538	7346	11939	1672	11000	5351	6934	9319	3624	4322	9631	6997	14771	11368	5673	10442	9463	9044	6584	6209	13215	4533	4032	3363	5124	6033	1710	4821	10395	21694	8858	5418	5668	4737	8124	6159	9388	12447	9998	19829	8865	7392	15610	25436	28721	0	9300	6954	7899	5957	6746	11026	6132	5428	5080	11216	3519	0	4356	18042	Phytochemical	0.4	0.8666667	0.06666667
8	C12 H17 O6 N1 S1	304.08493	304.08545	0.23598053	304.085	7632	7102	5977	7855	9215	6805	3480	4316	9231	19831	19363	2385	18187	3731	3008	8131	4813	11912	10247	7860	11590	11791	4145	2993	3205	1625	1876	7020	4080	2954	4240	4319	6310	4630	26191	2921	7840	3506	5641	8610	14735	4872	0	0	0	6894	9967	0	4786	3645	7618	8315	8451	0	10003	8151	3969	5230	8862	8857	6203	6889	10922	8353	2358	9675	4787	6130	0	2879	4032	3523	2565	1940	2266	2470	0	3337	2864	3799	1724	6725	4731	3266	7665	3816	4024	3659	4966	4467	10342	16536	10118	10851	11917	0	5285	8207	7199	8957	7260	6073	3661	6786	0	6262	6961	0	2829	16273	Organosulfur	0.5	1.4166666	0.083333336
12	C12 H17 O6 N1 S1	304.08493	304.08542	0.2642403	304.08502	6859	7641	6021	8861	8530	8025	3483	2374	6583	11801	6331	2735	10989	2509	2175	5138	2539	13894	12642	11731	7978	11974	2091	5842	3634	979	2620	0	4405	5066	3409	4121	6216	3045	12171	3620	7260	2076	4644	9581	7615	3613	0	0	0	7270	6540	0	6898	3174	8369	7260	8707	0	7283	3893	3634	5035	11932	7005	0	8082	3200	2774	2030	8187	4187	4461	0	4238	4073	3212	2336	2044	5198	3315	0	3649	2306	0	2276	6099	3754	4793	4977	4865	3795	4099	4687	4203	19249	36418	7878	10004	12899	0	4678	7173	3477	4335	4909	7736	2543	7802	0	5017	5778	0	2020	12083	Organosulfur	0.5	1.4166666	0.083333336
10	C12 H17 O6 N1 S1	304.08493	304.08542	0.23256972	304.085	5377	7887	5785	6362	9562	6685	2924	2534	10797	15159	7834	1556	17478	5756	3043	5045	3162	10443	8631	7451	8274	12517	3263	4045	3971	1263	3187	2733	4295	4066	4932	4589	5838	2321	13536	3488	6647	3228	3233	10613	13692	3148	0	0	0	10469	10862	0	6049	2750	5177	6697	7482	0	10030	7924	3023	6658	8973	10448	0	6238	6222	7184	2060	11472	5504	6052	0	2839	2310	3706	1167	2938	3193	1440	0	2755	3607	8296	2442	7919	4865	3002	7087	4131	5701	4205	5689	4095	15037	25149	9363	12513	15484	0	6196	7192	6231	5681	7682	5574	3342	8936	0	6284	8951	0	4171	16260	Organosulfur	0.5	1.4166666	0.083333336
12	C12 H17 O8 N1	304.1027	304.10318	0.28448188	304.10278	21876	20673	24314	26551	69925	48543	9124	16130	98147	11361	19515	18725	114427	27966	19966	12554	40034	116990	107797	25916	38487	16714	29300	12493	7089	1724	7008	0	26562	11501	14096	15470	32848	18046	28607	20246	22440	17084	26624	11131	21167	47885	2460	470	878	7540	15900	574	15854	14466	23441	20940	63331	659	142416	80803	31739	13675	12729	20782	0	17866	92906	105117	26409	71504	41250	29287	0	5367	14755	14480	15117	19348	16673	11476	403	19524	20385	0	11947	9853	5583	3439	78404	36245	18176	35425	39259	13326	9059	19074	19172	20766	7787	896	23126	31070	72480	60318	72520	38783	21625	10709	0	21258	84527	606	7779	118216	Unclassified	0.6666667	1.4166666	0.083333336
14	C12 H17 O8 N1	304.1027	304.10318	0.26403305	304.10278	9994	10762	9335	9558	24625	29856	2764	11644	38294	3537	6561	11501	57940	14950	12119	8801	18708	56786	46792	8428	13220	5730	14980	4452	3095	0	4861	0	10093	8900	6074	0	19204	6448	6082	10312	13841	9495	13760	3253	8751	26455	0	524	889	2430	0	864	8164	7190	9330	9292	25147	481	61173	42033	16455	5708	0	7473	0	7609	37195	49742	13700	30336	23967	8438	0	0	3514	5593	7142	8597	10488	5044	605	10470	4635	0	6040	3845	3232	1278	37213	15086	6596	14960	19439	6375	0	6782	6718	5786	5378	793	12003	15641	26925	26663	34427	27257	9552	6030	0	7393	37850	529	1861	51528	Unclassified	0.6666667	1.4166666	0.083333336
22	C16 H17 O5 N1	304.11795	304.11835	0.22582088	304.118	19952	15212	13970	15188	17549	8863	6858	11168	13708	35520	31946	8084	11589	8872	8339	12364	11026	18175	12315	14267	27176	33231	10267	17416	10426	12191	5697	23683	9032	7123	11350	9413	15871	13780	37539	8571	16396	5540	13013	34609	42621	11270	2828	0	2349	18246	23791	3432	12518	10588	19063	12986	13867	2900	13603	9339	9805	15638	9004	10906	15555	24601	14010	11510	7137	15694	10972	13052	23654	22433	46191	10654	7270	5861	9149	12262	2700	8728	11944	34140	11151	14317	9943	19027	12372	7647	13263	13375	12216	16436	19034	22360	16831	31753	37054	0	15435	14619	10642	14180	12301	14743	12366	15152	12367	16636	9936	0	11505	14179	Phytochemical	0.3125	1.0625	0.0625
22	C13 H21 O5 N1 S1	304.1213	304.1219	0.2542243	304.1214	1895	0	0	0	9795	6000	0	0	4470	0	0	0	1887	21063	0	0	0	4073	4511	0	0	0	0	0	0	0	0	1281	0	0	0	0	0	0	0	0	0	0	0	0	0	11606	0	0	0	0	1543	0	0	0	0	0	6570	0	2972	0	9842	0	0	0	0	0	0	1326	29467	3400	17015	1739	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7493	24295	0	2721	3393	0	0	0	0	0	0	0	2184	1885	2829	0	1743	0	0	1880	1383	0	9993	0	0	0	Organosulfur	0.3846154	1.6153846	0.07692308
12	C13 H21 O7 N1	304.13907	304.13956	0.15657414	304.13913	107871	100371	126470	104261	292278	224029	123889	166303	338118	98361	79635	96480	454757	124004	156671	96702	171324	578045	516205	172719	211762	83904	183044	82271	123197	60264	43933	153396	257404	122869	149516	128136	253015	147707	164292	171354	169578	127697	149328	86148	73857	211552	9200	1603	1985	81228	75309	1570	119772	105705	111337	93560	276202	2730	618054	307172	145699	130010	112654	107293	103432	86742	344487	342128	110815	327357	198048	121778	85000	85797	89594	107863	152523	169238	82085	122607	1100	130930	109702	94090	83794	74835	110718	72302	304097	213401	142239	123307	219400	88967	150599	202721	121232	82668	44432	3743	124126	176410	227965	251790	337587	172923	111728	95167	54030	116221	362839	2002	81520	424931	Lipid	0.53846157	1.6153846	0.07692308
18	C13 H21 O7 N1	304.13907	304.1395	0.23764785	304.13916	9328	8764	8850	13114	13144	11381	7590	8077	12944	6953	6449	6556	28138	10605	10414	9773	15902	24519	23897	7584	8961	7575	6865	7234	5638	4022	9588	3572	9920	11509	9800	6231	20381	11616	5931	13520	16511	5864	13384	4822	8032	16209	1979	1929	2418	4036	6884	1557	11915	6034	10115	11678	12786	1925	28829	19169	9181	9425	3136	9074	11002	5448	16036	20693	10510	22636	11587	15962	4587	2303	2776	8536	11985	12730	19677	8727	1804	8674	10368	5797	5203	3554	8925	4882	28298	11158	8557	11073	12430	10725	5756	6334	6291	3835	6012	2081	12569	14651	11514	16735	22468	20841	7168	10356	1830	6529	21931	1349	5685	16723	Lipid	0.53846157	1.6153846	0.07692308
8	C13 H21 O7 N1	304.13907	304.1396	0.12624817	304.13913	108978	112480	81752	116145	149370	106294	79210	122375	179249	67957	52245	84846	302142	66145	118496	133133	126584	262257	276099	122356	116355	85311	120164	111038	63051	28580	65908	42579	145628	123524	93348	114116	120919	118830	90469	140658	138654	89200	102371	56783	58495	146068	4893	730	1045	86247	79772	585	124063	110650	108001	97983	135100	1625	321762	204293	90776	97411	97162	78457	138652	47786	178978	206743	71330	171736	108785	88859	58824	45750	45077	95511	110135	120495	91342	100749	571	92796	92885	42392	64038	45285	75291	36595	205225	111689	94225	112914	124730	77503	55424	100080	131400	51514	78671	2096	101159	149618	135481	196442	261076	174614	81261	142940	35798	84156	210509	830	53019	224928	Lipid	0.53846157	1.6153846	0.07692308
6	C13 H21 O7 N1	304.13907	304.13962	0.19287352	304.13913	60319	68520	60745	61558	69080	46486	48616	90996	90942	31848	27838	51236	136394	37128	77978	94547	85788	151012	136066	56146	61757	48841	73237	78570	38398	10771	47284	18930	90401	88851	68419	73941	95733	66555	42985	85494	88308	55146	78818	24089	25673	76063	2525	461	663	46526	43330	496	88034	75388	64489	61981	68266	1238	154462	110678	47954	72375	56918	47205	94496	17947	99850	90751	36537	90340	67727	84623	21777	18043	19409	68495	65178	79029	93198	60205	457	55479	47869	20971	41395	26982	36416	15928	107662	77855	57645	65599	76369	51961	25977	55934	87254	24433	37438	932	63702	79251	57688	98813	138715	115885	50592	76201	33239	59836	105371	363	35415	121777	Lipid	0.53846157	1.6153846	0.07692308
4	C13 H21 O7 N1	304.13907	304.13968	0.21892028	304.13916	21832	23030	23435	24775	27085	17900	12874	28817	33876	13971	10082	17599	48861	12675	21956	27569	30135	45490	37538	18365	19786	24270	23819	29358	13201	3754	13442	5885	26307	23037	22892	25726	30487	21924	18123	27099	27961	17846	31941	12084	9242	24620	1049	389	632	20433	15114	309	26950	24798	27457	19053	23250	706	49817	34479	16374	25634	26503	18202	29107	7437	44254	34880	15400	34938	17950	26020	6618	4335	5145	20455	20332	31177	10941	21325	399	18549	17417	8629	17710	12065	14540	4199	37262	23342	17416	20197	21860	20981	22121	27948	32723	9229	12478	1133	23522	30129	22889	38628	45117	33277	15379	25715	13390	22739	34416	490	11745	112208	Lipid	0.53846157	1.6153846	0.07692308
10	C13 H21 O7 N1	304.13907	304.13953	0.120787986	304.13913	164529	146344	151758	150695	247977	202150	109357	182163	287022	110700	93248	119483	494253	110180	149065	187189	162260	526897	445022	181972	191458	109013	161182	142302	106116	62228	82451	94485	234739	197003	138586	170292	218003	186721	133296	204683	214218	106664	135913	94404	100141	226384	10467	1096	1648	105036	99290	992	171023	143209	165803	158762	224110	3232	509021	306592	116063	175414	118551	107240	200334	67234	260827	304905	108436	299502	177502	133515	109725	72982	73282	134750	155246	195618	131202	147172	775	119164	126017	78406	93521	64378	115669	61702	322498	203004	145899	161193	192809	90571	104611	152781	158011	81183	107531	3147	153901	220300	194040	279079	362440	275406	105077	202849	64389	113815	333454	1144	74746	376709	Lipid	0.53846157	1.6153846	0.07692308
0	C12 H21 O6 N3	304.1503	304.15094	0.11036587	304.15036	11728	9231	9262	8884	12576	67841	1728	15478	10449	2188	5491	3754	20129	10296	4486	0	4609	22002	17303	0	3249	9663	7512	9684	5769	0	0	14964	23203	6000	17281	15689	34744	20479	5735	12724	15638	2989	5508	0	0	24380	0	0	0	4092	0	0	14805	4957	9614	9265	19251	0	9672	5798	3688	18742	1515	705	5069	0	22724	8731	6881	22906	34419	6367	0	0	0	13990	16152	10044	0	9962	0	7037	3739	48020	3121	0	0	0	3834	4393	4341	12374	20138	6147	156549	45113	17419	12952	0	0	11932	8303	4732	4812	5919	10702	5100	2026	0	15595	5798	0	3300	30286	Peptide	0.5	1.75	0.25
4	C12 H21 O6 N3	304.1503	304.15097	0.45787048	304.15045	1989	1930	1594	0	1440	2243	1445	0	2106	0	4614	0	2467	842	1914	0	2732	1925	2838	0	0	2089	2447	2404	1369	0	0	7231	0	1122	0	0	2295	0	0	0	2511	1623	4003	0	0	3614	0	0	0	0	0	0	0	0	2025	0	1854	0	3193	2156	1482	0	1267	987	2598	0	3846	2081	1798	2769	1339	3741	0	0	0	1549	0	0	0	0	0	1323	1665	67966	1491	0	514	0	1851	1873	2742	3718	1767	4002	28001	14044	4383	9800	1754	0	0	2863	1741	1209	2252	1899	0	0	0	2484	1962	0	1245	3759	Peptide	0.5	1.75	0.25
6	C12 H21 O6 N3	304.1503	304.1509	0.49164248	304.15045	1264	1777	1979	1901	781	1132	0	1782	1152	0	1836	1177	894	0	1907	2956	2075	953	1271	0	0	1574	2204	2222	0	0	0	14005	1306	1581	2181	2009	1906	1561	0	1673	2606	1645	1787	0	0	1117	0	0	0	0	0	0	2602	1528	1794	2095	762	0	1201	610	816	2118	0	566	0	0	971	900	859	769	1850	1905	0	0	0	1326	1510	1098	0	1658	0	1277	1772	60805	1207	512	0	0	1535	0	1293	1068	854	3386	15198	10085	4849	7026	0	0	2099	1319	408	0	948	2842	1286	0	0	3310	0	0	0	986	Peptide	0.5	1.75	0.25
0	C17 H21 O4 N1	304.15433	304.15497	0.09719998	304.15436	14698	15166	15068	14518	2441	10592	17079	35216	2916	9801	6449	16945	4031	4086	18730	17809	49176	6918	8451	13309	20798	12111	18236	15559	11826	16051	10716	7923	39613	15081	20908	21600	26354	31302	13912	27459	17564	18121	42581	10327	14762	14894	1838	1855	4335	10206	9734	1256	33885	26532	15388	13680	8087	3355	5427	3397	5516	19041	7047	13054	16197	8659	2823	4402	9986	6310	13001	45973	13719	8922	13350	18954	27482	19606	30492	23676	4380	14686	16331	9745	18526	6253	13014	8579	4468	8840	13280	11405	9351	15546	9916	8440	18917	9736	6820	1983	12776	17340	2753	3153	5228	17739	11205	22191	7725	19219	3738	2054	16624	3001	Phytochemical	0.23529412	1.2352941	0.05882353
10	C17 H21 O4 N1	304.15433	304.1548	0.12606844	304.15436	155991	151298	139442	133977	64548	64327	70805	143685	58802	384214	176516	81142	55087	47344	77401	168381	115333	83240	122220	432335	467029	234276	93438	187156	99662	451998	86403	167573	102330	105688	90866	113193	145123	107077	413153	102433	144727	82098	139052	298558	306741	63554	3857	3761	9142	148417	156920	4284	139050	115541	153290	162246	64549	8255	68569	35006	36882	170022	29285	89985	157053	128085	59070	57049	38162	79906	62617	152557	340228	617465	605621	118405	100249	90234	106693	101002	9976	77866	102334	131885	97610	59384	53690	161571	47229	39072	106107	70824	66564	311679	149686	92630	342194	143920	276388	4299	157290	156042	45538	41221	41234	124799	77466	130921	60422	141296	45254	3977	130034	65580	Phytochemical	0.23529412	1.2352941	0.05882353
6	C17 H21 O4 N1	304.15433	304.15488	0.15355772	304.1544	256902	289716	251298	257011	92149	116701	155247	312313	73852	561331	249473	154580	86194	62480	155969	320377	340294	160568	205202	574618	626328	285013	170097	294709	167816	605768	162911	214098	252839	241926	235052	303335	335355	268005	647939	253573	308421	152444	397490	307310	321319	163672	3869	2309	4442	239592	269758	2207	427471	267331	267774	250989	156680	5211	100243	44940	98417	278207	18863	82553	271951	181963	86297	83066	65750	159616	188474	421473	458385	804723	923789	248634	229163	175227	299482	189394	4709	128558	245922	144631	206493	81885	55537	246493	55985	83974	225483	229783	198743	293097	174523	128386	282677	401374	380623	2714	245000	227610	50202	37092	54045	306507	135610	223447	117001	227670	53700	1834	211214	95458	Phytochemical	0.23529412	1.2352941	0.05882353
12	C17 H21 O4 N1	304.15433	304.15482	0.16815813	304.1544	111662	118646	116599	114119	55563	48481	74748	102511	46734	220213	138390	56553	45258	33200	56654	125679	113471	69313	77460	280942	336954	188044	56178	108891	52538	365477	71344	122634	80338	79036	74545	95177	105347	81382	262949	85595	101861	56933	117973	224790	299572	58432	3753	4581	9518	132844	149527	4560	113441	89390	124726	114341	54327	7289	65089	30591	37714	107947	39775	112721	87636	128084	58770	47542	27114	58931	52698	127007	275875	465396	552625	75752	74936	72674	105951	90679	8140	60047	69127	107687	68230	69882	62588	153094	48484	34409	71673	49812	53320	184048	131737	107821	161029	110257	190622	5055	117174	114891	43604	35717	41389	109939	55559	113090	42111	95209	37745	3894	66477	58555	Phytochemical	0.23529412	1.2352941	0.05882353
14	C17 H21 O4 N1	304.15433	304.1548	0.19157253	304.1544	148608	142436	124240	148295	60138	54349	90353	103670	52241	288233	196748	73662	49933	42927	63373	123707	145170	64811	77707	322320	392510	218377	67068	118501	74546	424691	88427	182466	82834	94198	77083	106631	110970	94111	301742	92006	111532	54258	145749	311819	385758	63463	4225	5893	12071	131431	164339	5387	111968	89604	139072	133023	59808	11435	50814	37986	46829	129881	63488	127767	96256	161438	58769	50669	38326	68186	68120	156570	335196	506032	671099	82358	83931	76939	109988	101306	13155	65446	93157	127251	72287	92244	101361	218472	49651	39698	92601	83669	72263	226495	167196	153926	167871	159836	229666	4935	142295	126739	42818	50287	64048	106899	70128	153626	67640	108449	39462	5145	93883	57025	Phytochemical	0.23529412	1.2352941	0.05882353
6	C16 H21 O3 N3	304.16556	304.16608	0.118665054	304.16562	32390	34139	30503	33809	8277	0	15628	27267	6347	29034	24614	15393	2458	5012	15896	31342	26090	9731	14818	35334	36556	29826	15516	35485	20003	16619	15652	163368	24794	23101	19668	22249	30472	25339	32347	23026	29022	16741	30985	28540	31394	11588	0	0	0	21035	29638	0	31556	23978	30351	29212	9367	0	6050	2756	6481	29619	4460	12754	34626	16745	4202	5544	6255	6380	12663	35121	14368	23957	30835	20282	17655	17964	17737	21653	0	13022	19973	1279678	14253	9779	9465	21008	2731	5993	22671	14325	12891	44837	223408	100033	51100	151042	37581	0	36090	33165	4703	2110	2186	27475	13196	25470	11273	25495	3772	0	20110	7364	Peptide	0.1875	1.3125	0.1875
24	C16 H21 O3 N3	304.16556	304.16586	-0.29042765	304.16547	1100	0	0	0	0	0	0	2045	0	3502	16597	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31041	0	0	0	0	0	0	1844	0	0	0	0	0	0	1484	0	0	0	0	0	0	0	0	957	0	0	0	0	0	0	0	0	0	1174	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	64433	0	0	0	0	0	0	0	0	1363	0	0	2468	0	0	0	0	0	0	0	0	0	0	22779	0	0	0	0	0	Peptide	0.1875	1.3125	0.1875
8	C16 H21 O3 N3	304.16556	304.16608	0.15774852	304.16562	18424	20600	17933	19288	4380	7165	11011	19642	3137	20663	15243	14570	2415	2939	11305	23811	21936	4776	9130	31454	28714	22601	12879	31321	14326	16110	13344	20366	19264	17513	17613	21969	23926	22047	24252	15413	21751	12341	29379	22220	32062	8557	0	0	0	23933	26162	0	24457	17341	17675	20457	7294	0	3759	1347	5652	18917	6694	16348	19778	11134	3805	5137	3453	5748	9519	30385	9028	15406	22326	18847	21582	13454	20370	20507	0	12824	14625	34704	13742	9520	10037	21205	0	5018	14633	10666	11072	46221	63923	34459	34496	19479	23832	0	19852	17351	2842	1672	2456	22337	10178	18349	7819	22694	2221	0	18665	3697	Peptide	0.1875	1.3125	0.1875
12	C16 H21 O3 N3	304.16556	304.16605	0.19879559	304.16562	8077	9130	9255	11739	2302	2494	9669	13382	1597	9120	6001	10284	1588	1944	8526	11475	17699	3046	4814	14489	13411	10963	8216	12905	9765	7227	7186	0	12160	10264	13505	12034	15275	7983	13566	9884	14629	8776	21372	19433	18703	5539	0	0	0	9254	13129	0	11280	9428	12976	9847	4197	0	0	888	2505	15766	7398	10170	0	6795	0	1613	3246	4768	5410	15765	0	7278	13892	11762	10396	9712	11743	10611	0	10642	8468	15316	9040	9043	13450	12687	1147	2847	9923	6182	5927	34799	25874	22172	23463	11465	13169	0	7448	9120	1885	1886	1370	13372	7006	12193	0	11885	2015	0	11604	1198	Peptide	0.1875	1.3125	0.1875
10	C16 H21 O3 N3	304.16556	304.16602	0.12294433	304.16562	16191	16654	17468	12962	5536	5985	8480	18042	3113	15039	10993	11586	2049	4014	12076	19294	20748	3102	7401	18667	22387	22334	11707	26649	15357	9438	14360	17188	14319	12378	12824	19117	17880	17801	18545	14896	14713	12706	18702	20241	26855	5994	0	0	0	12519	17331	0	18972	14136	18892	15967	6310	0	1876	0	3698	16858	8209	17314	14559	12650	2954	1934	3775	4321	8801	26506	8479	14598	17160	15904	13919	13361	18251	16303	0	12906	14413	26961	13651	10325	13169	13001	1744	4137	12032	8098	7519	33941	83582	52596	30248	22932	27052	0	13565	13826	2238	1653	1846	15053	11405	21278	0	20291	2490	0	16335	3653	Peptide	0.1875	1.3125	0.1875
8	C14 H25 O6 N1	304.17548	304.176	0.15005466	304.1755	31293	28326	23243	30554	263426	32704	57120	26778	15573	10293	10656	16535	27078	76314	23901	32976	45122	24056	32417	16399	19458	20132	21781	26492	13968	30205	28913	10211	30324	24899	19767	28819	38650	19709	14948	31858	41113	16892	49462	6687	19683	20968	15740	0	274	16730	18104	0	26599	22997	27692	26016	100943	1219	22607	23317	14939	22077	12103	25345	32654	6457	28956	14907	47438	24253	24117	39835	8149	11626	11113	17150	19990	25070	24469	21407	0	15734	22631	12823	14036	33116	233173	196891	24283	16635	17957	21916	20457	21213	0	23928	29864	9970	12740	3793	30953	37169	21609	20044	30608	51650	17904	23549	8165	27177	116164	0	14332	23443	Lipid	0.42857143	1.7857143	0.071428575
6	C14 H25 O6 N1	304.17548	304.17603	0.16338612	304.1755	12558	10983	11200	12071	10462	10619	9343	13330	9688	6290	5245	7940	19196	10175	15227	16939	10574	12294	20397	8523	9132	12509	11700	17220	8633	2463	8615	0	19443	14260	11657	14529	17279	13656	9889	16314	17355	9834	12578	5026	5489	10924	0	0	0	9907	9254	0	14104	10798	12471	14641	10383	323	17960	11172	5448	16456	10506	7809	18543	2841	15313	9386	6419	14021	11319	12469	3468	2793	3574	10186	11173	14797	8062	10400	0	6654	8626	7998	7101	6390	11572	4632	13063	7968	13724	8183	9928	13789	0	42728	28261	5838	6895	0	12146	12847	8531	10256	15635	17392	8568	14651	0	14014	12629	0	8757	18284	Lipid	0.42857143	1.7857143	0.071428575
2	C14 H25 O6 N1	304.17548	304.17606	0.13369615	304.1755	17125	19411	17848	13578	13611	16275	11835	18243	13678	8937	5095	7857	25421	16791	12016	11640	13694	21734	20225	12020	9585	13469	10273	11583	10126	1954	5467	11260	22569	14728	20770	21063	26019	18117	12418	19711	24311	8960	16141	6516	5376	9262	303	0	0	7060	5752	0	18864	12066	15444	15995	13650	0	16911	9276	5355	25712	6005	4377	13522	3459	22839	14509	7483	22021	15246	18087	3002	4626	4015	18575	19809	17799	5676	14979	0	11159	14797	0	8024	4448	4597	2114	11423	8275	19646	8487	12603	22604	38584	45774	23232	10082	6131	0	17797	16915	8125	11523	13484	16727	9475	13696	4144	17190	9545	0	10214	30189	Lipid	0.42857143	1.7857143	0.071428575
24	C14 H25 O6 N1	304.17548	304.1756	0.012857009	304.17548	0	2220	0	2681	906	1193	0	0	0	0	0	1229	0	31447	0	0	2294	0	0	0	0	0	0	0	1244	0	1323	0	2363	0	1222	0	2193	0	0	0	1555	0	3694	1025	0	1633	0	0	0	0	0	0	1735	0	1169	1630	0	0	0	0	0	0	0	1103	0	0	2834	0	17801	0	1387	13819	0	0	0	0	0	0	2132	1137	0	1189	0	0	2525	0	0	0	0	0	0	0	0	0	2234	0	0	0	1624	0	0	0	0	0	0	2248	2329	0	0	0	1787	0	1329	0	Lipid	0.42857143	1.7857143	0.071428575
22	C14 H25 O6 N1	304.17548	304.17587	0.20851757	304.17554	1442	2720	2369	2652	1641	3068	1773	2685	3300	0	0	1585	4474	34530	1864	4708	4251	3391	2306	0	0	0	2224	2353	2594	0	5458	4247	2635	2071	1736	0	3718	1874	0	2249	3860	1329	3502	0	0	2084	0	0	1925	0	1590	0	2710	0	1889	1207	4344	1520	4832	3143	1905	2198	0	2103	4089	0	7034	2380	21238	2781	4713	3548	0	0	0	2120	1973	1655	2816	1818	2150	976	1346	5452	994	0	0	0	0	2080	4081	2502	2433	3162	4932	0	0	2081	0	0	3599	2093	1845	3014	4122	4706	2470	1225	0	2028	1647	0	1826	5898	Lipid	0.42857143	1.7857143	0.071428575
14	C14 H25 O6 N1	304.17548	304.1759	0.19575627	304.17554	25627	29644	25250	26218	33927	36356	61905	45940	36876	6756	11203	20276	54457	47774	46578	54865	64669	64642	54535	14988	17921	10283	36513	30915	53146	22489	39459	30214	72976	46626	28710	37430	53088	39793	12486	70564	44569	28379	57969	4456	7108	42064	4917	388	826	20221	12838	584	31789	27524	23453	24613	35302	1419	53062	48454	20732	43053	13458	12122	41485	6175	45623	29492	66510	49925	56516	38216	0	11958	9216	27882	38628	53767	46697	36375	464	30368	29835	34246	24488	13698	52277	36950	62683	40922	41592	28443	34976	29576	35607	29695	37882	13580	13339	1308	21095	47359	31198	45099	66700	62145	23133	31575	0	32684	40242	521	25733	32088	Lipid	0.42857143	1.7857143	0.071428575
4	C14 H25 O6 N1	304.17548	304.17606	0.18617988	304.1755	18406	17609	14985	17203	12306	9502	22844	12522	12184	4171	3413	6927	18017	13436	17313	12487	53637	14971	13753	7599	6171	11274	12064	10167	20467	2603	32082	3454	16728	10934	12177	14552	13448	11435	9391	14183	13186	23708	58130	3342	2696	7399	0	0	0	8898	6183	0	15267	11087	17489	16180	12023	0	14390	11547	12885	18617	6766	3522	11177	3454	15471	9953	17575	12837	9472	53539	5101	4558	4252	11254	12047	15410	9510	10291	0	10258	86670	5283	81681	6051	4700	1925	14715	23231	96269	6707	9318	43772	47432	37572	15855	3630	4889	0	16141	18097	11480	11427	13007	12820	10136	9672	5538	11064	16097	0	114194	16445	Lipid	0.42857143	1.7857143	0.071428575
16	C14 H25 O6 N1	304.17548	304.1759	0.16087516	304.1755	40216	34967	43094	37665	65716	46255	75446	48463	43505	14173	17520	30552	77815	66420	49884	57029	44259	91545	85809	25355	24083	18726	37164	34007	45800	13114	57212	33009	76508	53705	45484	67648	73646	63440	21500	70335	70516	34484	39411	10914	9113	55245	6495	666	1261	14307	16899	641	57606	35821	41955	34118	59786	2114	79821	55364	36257	57900	21237	15996	48790	7797	51885	46307	55234	82878	63287	35887	8718	5046	3934	43420	60352	74778	56557	47947	791	33905	25426	31545	18528	14051	93233	53124	53855	50506	38146	49416	60702	0	50116	42389	34862	15795	16607	5502	40452	56905	33833	51939	83431	92564	27971	33777	21672	37083	54374	1041	37027	62191	Lipid	0.42857143	1.7857143	0.071428575
12	C14 H25 O6 N1	304.17548	304.17593	0.15717289	304.1755	19240	20754	23265	25276	38431	38406	63282	60783	33634	9780	11056	28952	46866	40850	41335	38604	61845	56989	67037	21104	19014	16135	43399	23975	55984	24894	17239	19742	68970	28507	41308	27264	57677	39405	18527	43232	38665	37188	61900	7633	8118	37229	3900	344	428	18458	11877	534	34834	27193	22734	24209	35258	1186	56948	40062	21049	47503	14475	20920	25529	6039	48753	32366	47826	49236	49931	57433	0	10575	11539	25052	30844	36982	25445	21471	0	33842	39006	20323	29949	21278	109607	69545	44636	41119	55615	26374	44177	52646	34144	31703	54178	9295	9263	1367	25308	36472	32747	39790	56876	40289	24812	14023	0	40657	39360	562	33842	41025	Lipid	0.42857143	1.7857143	0.071428575
10	C14 H25 O6 N1	304.17548	304.17593	0.1666837	304.1755	35840	26509	31449	29355	29607	25720	61880	43716	18528	10234	11745	21633	43698	49276	28060	46739	46222	36709	40247	27032	18920	21980	28083	42340	25389	40752	36344	15362	40588	35082	25674	37632	41218	45626	14558	41549	40650	24520	41089	8553	13758	27911	12754	0	0	19904	21556	0	32758	32957	29010	26464	26391	1455	37550	38318	17323	38892	19369	25341	43098	5613	30772	23672	43447	33862	27696	35552	9835	12987	9598	32848	31061	34364	31817	30038	0	18640	30258	17567	20775	21163	229920	164304	44551	29014	36645	24587	22634	38128	38745	27562	44429	10437	21588	1692	27060	40166	21503	32022	53160	48522	18509	40759	0	26368	32357	0	23799	29770	Lipid	0.42857143	1.7857143	0.071428575
20	C14 H25 O6 N1	304.17548	304.17584	0.17551924	304.1755	8678	8958	12085	9598	17493	17922	17012	12358	12857	0	3266	6170	24533	55284	13875	7871	17757	18297	24186	5872	2926	1509	8213	4553	11551	0	15506	21842	21219	16969	21968	15916	18229	14148	1850	18840	19355	10120	16219	1322	3638	17290	4941	2485	1766	1818	7275	1834	17460	11197	8703	8592	18611	2346	22356	15168	10034	13474	6216	6564	16336	0	17087	13186	30550	21334	18751	12632	0	0	2563	6290	14871	21387	15599	13621	1786	8216	3801	20617	4868	2091	7454	0	8268	11853	9274	7414	10986	3773	17292	9325	6647	3916	5158	1844	13340	7529	8091	12950	16079	19161	10034	9295	8327	10347	21648	3098	6965	13322	Lipid	0.42857143	1.7857143	0.071428575
26	C14 H25 O6 N1	304.17548	304.17548	0.06281648	304.17548	0	2084	2576	1904	0	0	8261	0	0	0	0	3495	0	2128	0	0	37207	0	0	0	0	0	0	0	0	0	11997	0	0	0	2953	0	4753	0	0	0	3431	4705	53103	0	0	0	0	0	0	0	0	0	3528	0	2082	2369	0	0	0	0	0	0	0	0	0	0	0	0	2643	0	0	22418	0	0	0	0	0	0	16731	2246	0	3413	0	0	0	0	0	0	0	0	0	0	0	2258	0	0	0	0	0	0	2060	0	0	0	0	0	2984	0	0	1584	0	0	0	0	Lipid	0.42857143	1.7857143	0.071428575
8	C13 H25 O5 N3	304.1867	304.18726	0.29062217	304.1868	1217	0	0	840	0	0	0	0	0	0	0	0	0	0	0	0	2223	0	0	0	0	0	0	0	0	0	0	0	1141	0	0	1508	0	1434	0	0	0	0	2150	0	0	0	0	0	0	0	0	0	0	0	840	0	0	0	0	0	0	0	0	5198	0	0	0	0	0	0	0	1280	0	0	0	0	969	0	1955	0	0	0	0	5181	0	0	2676	0	0	0	0	0	0	1374	0	0	0	0	0	0	0	0	0	0	0	1382	0	22460	0	0	0	0	0	0	Peptide	0.3846154	1.9230769	0.23076923
2	C13 H25 O5 N3	304.1867	304.1873	0.16146937	304.18674	23207	26038	21046	21854	6933	92922	1959	5563	4245	2299	25203	3039	10475	3406	4061	3597	5104	17475	5464	0	1073	6909	2461	5880	2783	0	0	507659	11790	2629	8253	6759	17954	9184	2320	5534	11155	3268	6253	832	771	18039	0	0	0	1439	1668	0	9014	2973	23775	23249	6351	0	4871	2551	2005	8775	433	458	2626	0	9081	2912	2896	12861	4996	4150	0	886	0	10074	7589	3957	417	4809	0	3506	2933	1715101	1614	0	0	0	3182	4313	4145	6289	7451	11940	740309	695389	9118	219986	1950	0	23504	25774	5859	2725	2840	7899	3558	2825	317	9507	3040	0	2645	14116	Peptide	0.3846154	1.9230769	0.23076923
0	C13 H25 O5 N3	304.1867	304.18732	0.08108165	304.18674	5673	5576	6019	6225	5839	12811	1630	7830	5768	1293	2778	3881	14004	0	3942	0	4892	12352	7871	0	2504	5176	5149	5398	5874	0	0	57195	13470	2813	9071	6987	23106	6096	2707	4455	10263	3833	6855	0	0	5359	0	0	0	1733	0	0	6424	2570	5115	5508	8290	0	5818	3194	2226	8367	1187	0	3259	0	8664	4743	4637	11958	13402	6691	0	0	0	6797	8838	6617	0	5729	0	3037	2628	302020	3522	559	0	0	3374	2895	4335	5800	6299	7014	29460	37111	13800	39802	0	0	4636	7325	4768	4358	6372	5314	4533	0	0	10955	4123	0	3393	19582	Peptide	0.3846154	1.9230769	0.23076923
4	C13 H25 O5 N3	304.1867	304.18732	0.3475595	304.1868	5032	4275	3326	5443	371	4433	495	861	597	0	5672	528	1787	823	1155	1274	866	2551	522	0	0	1173	1092	0	915	0	0	65873	1175	0	592	1164	814	1555	1209	1377	1275	935	0	0	0	0	0	0	0	0	0	0	0	910	3755	3874	357	0	1396	558	1199	575	353	414	885	0	556	703	0	1304	526	1221	0	0	0	1109	849	670	0	745	0	383	804	105615	772	0	673	0	1169	784	857	700	0	2249	270083	135009	1228	18841	2748	0	4811	5220	672	565	1158	1441	1051	2018	0	653	772	0	512	1556	Peptide	0.3846154	1.9230769	0.23076923
8	C18 H25 O3 N1	304.19073	304.19122	0.14132223	304.19077	65618	70787	60075	71113	25131	22909	58862	90404	20209	134600	60191	51064	8220	12290	44020	101086	61800	22136	42238	158902	154544	59686	38661	84676	39280	94033	128119	57532	70217	66285	71918	90741	97050	78834	153135	76919	101421	41305	70043	89256	30429	25124	0	0	0	49435	43013	0	106406	81235	57144	66724	27289	0	13344	4946	12133	95605	0	3543	94984	26320	11988	13165	16878	20296	30487	95239	69323	128021	133423	92977	68486	67654	72328	74808	0	61057	38354	28939	29583	4282	4050	64409	6348	7517	43786	29945	33644	128246	96388	12514	163807	47647	101446	0	68665	68518	11763	4408	5115	85439	53274	49850	11754	71509	14145	0	36033	21385	Lipid	0.16666667	1.3888888	0.055555556
10	C18 H25 O3 N1	304.19073	304.1912	0.16255282	304.19077	33651	32955	27302	30024	12227	13204	49836	36879	5841	85277	39607	22596	7545	6143	19128	42097	28756	11960	19819	82923	86290	23536	18238	41532	22774	64213	69103	44667	28039	28716	28427	36176	34141	31089	85851	29090	40483	19852	32539	52335	27679	13074	0	0	0	20767	25610	0	38736	30048	31743	30514	13248	0	9302	2518	5595	43739	0	4821	42487	14275	8072	7277	6561	11895	18829	50336	53343	90001	88683	25031	25378	26000	34010	29350	0	23575	14847	20965	13080	2948	1865	32667	3578	6157	21811	14327	16362	55670	46638	5860	55684	24741	54765	0	30220	30229	4332	3102	3904	42139	20325	24781	0	35047	5177	0	20259	6864	Lipid	0.16666667	1.3888888	0.055555556
12	C18 H25 O3 N1	304.19073	304.1912	0.13583313	304.19077	23019	22023	23291	23754	10135	8504	109010	44530	6743	41440	22543	25067	4552	5914	15135	34688	21920	9344	14491	56452	55377	14407	9419	18276	10165	54212	184224	24364	19972	22579	22921	22188	19142	26390	47383	23128	23900	14834	22768	28819	28731	8136	0	0	0	16436	19034	0	26333	48206	23593	22137	8142	0	6255	1195	3974	29563	0	11140	20149	13031	4716	3719	3024	5933	9371	24751	27133	67644	68365	59798	27106	24888	24709	19386	0	73032	9514	0	7847	3096	2342	21910	2739	2437	15115	9198	7754	37081	38669	11195	32114	14437	38116	0	24080	21816	4417	4233	3849	20369	25252	13876	0	16943	4008	0	10809	7555	Lipid	0.16666667	1.3888888	0.055555556
20	C18 H25 O3 N1	304.19073	304.19113	0.17955863	304.19077	33115	30675	28164	34682	17094	14739	25348	28127	9227	40544	41087	20699	7163	9780	18808	48249	45199	10718	16575	52845	57072	40360	15362	33308	17567	81949	25820	35027	32225	36669	26149	30608	39877	34710	41834	29266	39945	17087	47331	51545	82588	17857	4118	0	423	30945	48855	0	38062	35417	28699	29080	17453	1662	6695	5589	9626	39686	17609	44902	39363	27313	7231	8331	7150	16590	22037	50588	61315	64315	105618	25908	29928	25751	45034	32525	0	20521	22271	45141	18634	21115	26912	38387	8816	12986	30776	24430	17897	112010	43796	47881	55028	36408	48594	891	33254	31311	13058	8462	8192	40861	17663	48612	28602	36931	8831	0	23804	12324	Lipid	0.16666667	1.3888888	0.055555556
24	C18 H25 O3 N1	304.19073	304.19104	0.02429251	304.19073	28067	25477	22693	23351	37373	19311	11973	21713	14347	43350	65618	14313	16348	21204	12417	33475	18721	16530	19802	75470	73090	25654	15437	23307	23275	42859	12858	63034	18441	22884	18554	26674	32433	23658	44056	26484	30878	12311	18401	46485	54174	14453	0	0	0	25334	23272	0	27397	24467	26209	25072	33696	0	10857	9162	10101	25281	31838	27803	31757	26591	8232	10962	4364	17971	18264	20696	41242	28102	46869	20026	20041	19268	15730	24007	0	13735	13221	28077	8186	18027	20592	36152	8312	5824	16057	20199	15028	33584	39306	46152	24885	36211	45898	0	25866	25203	17852	10863	8351	38858	12967	33808	17399	26055	29001	0	15875	11878	Lipid	0.16666667	1.3888888	0.055555556
4	C18 H25 O3 N1	304.19073	304.19128	0.11747819	304.19077	68405	76259	75414	67506	6176	19243	62664	171663	5217	91128	41455	75495	3752	4782	68002	154987	112405	14375	26090	125123	122585	59318	66961	172147	66778	57183	74712	43765	108262	104066	112118	127847	128783	97490	112236	132881	124196	64675	109604	91050	40277	33607	0	0	0	54302	49415	0	149740	162848	79494	59182	18939	0	8355	2037	16391	115603	1127	2208	132021	40557	4164	8226	13538	9952	32087	135240	34362	59288	70603	111198	105868	140036	130496	113446	0	83026	65521	48040	68536	7759	12281	59641	4291	12284	45495	27845	37131	125345	89231	23171	219045	52620	112235	0	74456	80622	5819	1870	2689	111103	66559	102055	19637	108405	4454	0	70208	6178	Lipid	0.16666667	1.3888888	0.055555556
14	C18 H25 O3 N1	304.19073	304.19116	0.13041458	304.19077	17821	18436	18277	17245	5802	3757	31560	15847	2590	31679	22261	16303	2118	4936	6538	21471	17290	7344	9842	38988	41636	18789	6049	15404	10532	48657	54803	18774	7605	18155	15576	19182	15948	11906	30806	12960	20147	11998	24290	28017	32578	8756	0	0	0	12215	18736	0	21011	18003	18993	19535	5610	467	3847	2061	4936	28858	0	15221	0	9937	3033	3037	3644	8658	7910	21723	23018	50870	59613	12265	8203	13924	16101	19303	0	31745	11702	16607	8777	4128	5964	28261	4044	3595	12568	7531	7345	45080	23608	11949	36122	11057	31025	0	20666	16133	3139	1891	3793	15151	29490	11676	0	16764	3496	0	11884	5172	Lipid	0.16666667	1.3888888	0.055555556
2	C18 H25 O3 N1	304.19073	304.1913	0.10751582	304.19077	34372	31773	34602	31193	975	0	31929	86976	1221	30618	15107	34003	648	959	37809	75341	51959	3658	6394	46161	36751	23004	24671	92180	36179	11684	44339	11568	58728	61375	48240	64124	49727	44381	28770	67607	49690	27025	50700	34595	26461	10903	0	0	0	19258	23166	0	69587	81109	27718	28017	5329	0	986	561	3738	46006	926	2063	54654	15541	540	2127	4691	3086	11202	63569	9266	12715	13482	46561	51883	82396	86073	54531	0	34295	25215	14597	25543	4959	7422	26273	1133	4543	19391	10325	12479	46376	27099	11493	61932	17039	48447	0	31995	35933	1093	385	682	47068	25393	63826	8678	42350	816	0	26815	1024	Lipid	0.16666667	1.3888888	0.055555556
16	C18 H25 O3 N1	304.19073	304.19116	0.16543786	304.19077	17948	19227	17414	18699	4990	6983	12342	16635	3309	33045	25853	11610	4274	5343	8945	21171	27340	6382	7765	38212	37243	22075	7586	17168	11787	48083	14189	20817	16009	13972	15641	15968	22385	11742	35197	13436	20146	11383	28067	35823	48754	10680	424	0	0	18632	26322	0	23005	14382	16477	18768	7463	711	5331	2071	4027	16928	5268	25724	17299	13163	6165	3095	4543	8295	8538	29050	35845	44457	65705	12217	14245	14897	16885	16068	0	7757	11869	22462	9528	8796	9035	25103	5931	2878	18810	14084	8692	57079	26256	20381	0	26985	37068	0	15436	14058	4921	2371	4451	17820	8589	12790	9865	16031	4466	328	18309	7673	Lipid	0.16666667	1.3888888	0.055555556
18	C18 H25 O3 N1	304.19073	304.1911	0.13875213	304.19077	25856	22925	25785	23729	11316	12068	14949	17296	4853	35740	29333	15173	6288	8640	9016	28075	35626	9264	15889	43633	51249	32506	10661	22332	12395	59254	18189	22100	16442	21574	16124	19574	26967	25397	24641	22225	24308	14875	35741	34516	63969	13963	853	0	0	25727	32606	906	26671	24763	25124	22534	11271	1481	6116	4167	7842	28398	9121	36190	23498	22606	6185	6370	5655	13324	13637	44207	44725	62448	88095	18798	17566	17501	33383	23960	0	10492	11665	31182	13510	17860	18318	36256	4513	6590	28068	18252	13179	56666	38376	29416	37460	25080	40115	1041	21561	22770	7173	6607	4951	25021	11961	26633	9780	22402	8181	715	17132	8375	Lipid	0.16666667	1.3888888	0.055555556
6	C17 H25 O2 N3	304.20197	304.20245	0.21949412	304.20203	2135	2050	1924	1642	0	0	650	1690	0	1085	0	635	0	0	829	3856	0	0	0	1579	658	955	1646	0	1551	0	0	0	1364	977	1401	1320	1430	1595	0	1184	1623	1109	996	0	0	0	0	0	0	0	0	0	2076	1720	1699	1371	0	0	0	0	0	3491	0	0	3074	0	0	0	0	0	800	1974	0	0	0	1777	867	1357	1174	944	0	612	1746	0	971	0	0	0	0	0	3213	800	0	95663	0	0	10122	660	2264	0	1732	2080	0	0	0	1347	869	0	0	1670	0	0	928	0	Unclassified	0.11764706	1.4705882	0.1764706
2	C17 H25 O2 N3	304.20197	304.20255	0.23718455	304.20203	0	0	0	0	0	0	31630	2796	0	0	74577	0	0	0	2095	0	0	0	0	0	1949	815	1254	3540	0	0	125071	63216	1982	2574	2349	2287	1697	1676	0	2664	1776	0	2743	1536	29547	0	0	0	0	582	11038	0	2495	3200	0	0	0	0	0	0	0	1709	0	0	21696	0	0	0	219711	0	471	0	55541	0	22680	2584	2088	3059	4299	1687	0	2159	1692	0	0	73896	0	2252	0	0	1643	0	489	0	2025	0	3877	0	15940	0	8451	0	0	0	0	1818	0	1918	0	2120	0	0	0	0	Unclassified	0.11764706	1.4705882	0.1764706
16	C15 H29 O5 N1	304.21185	304.2122	0.19590038	304.2119	3163	3811	1763	0	0	0	8391	0	0	0	0	0	0	2813	1821	3017	2259	0	0	0	0	2289	0	1728	49540	0	5071	3954	2335	0	0	0	1915	0	0	1625	0	1308	1586	0	0	0	6144	0	0	0	0	0	0	1624	2553	0	0	302	0	0	1120	1941	0	0	0	0	0	0	2344	0	0	0	0	0	0	0	2397	1959	2898	0	0	0	11015	16719	0	0	9455	7844	0	0	11758	0	1752	0	24439	7052	0	1415	0	0	2070	0	0	1527	2290	0	0	0	0	0	1280	0	14013	0	Lipid	0.33333334	1.9333333	0.06666667
20	C15 H29 O5 N1	304.21185	304.21225	0.18729798	304.2119	0	0	1540	0	0	2483	73919	0	0	0	0	947	0	4661	0	0	0	0	0	0	0	0	0	3588	0	3469	44947	10969	1808	0	1275	2474	1492	2549	0	0	0	0	0	0	0	1129	3061	0	448	0	4023	0	1603	1276	0	2690	1319	1300	0	0	0	0	0	1461	2436	0	0	0	29508	3423	3826	1873	5638	0	0	0	1325	2001	1741	0	361	0	1442	12814	0	0	26662	9783	0	0	3406	1416	0	0	18806	10419	0	0	0	0	2829	1590	0	0	0	0	0	0	2009	0	0	0	0	0	Lipid	0.33333334	1.9333333	0.06666667
18	C15 H29 O5 N1	304.21185	304.21216	0.12866311	304.21188	0	0	0	0	0	0	35162	0	0	0	1535	0	0	5761	0	2252	0	0	0	0	0	0	0	3922	0	0	19033	5260	0	1612	0	0	2787	0	0	0	1690	0	1744	0	0	1689	2385	0	0	0	0	0	2199	1791	0	0	0	1592	0	0	1210	1442	0	0	3711	0	0	0	7806	0	2168	0	1604	0	0	0	2886	1997	1607	0	0	0	0	7844	0	0	21155	14004	0	4285	2235	0	1544	1966	7717	0	0	0	0	0	0	0	0	0	0	2348	0	0	0	2267	0	0	0	0	Lipid	0.33333334	1.9333333	0.06666667
8	C19 H29 O2 N1	304.2271	304.22757	0.16418612	304.22714	20708	18278	13897	20633	0	4041	11256	38263	1233	12679	8910	16943	0	0	15062	36364	17664	891	4299	24284	14540	7054	13326	36458	16720	3384	18895	7340	28763	30496	30516	42339	28659	34329	13278	35702	34118	11072	20198	17023	0	5203	0	0	0	4757	8608	0	36445	35817	20397	15521	4420	0	0	0	2734	43579	0	0	35771	3961	0	0	3169	1726	7062	33080	0	4120	3201	33156	40617	36035	25426	33655	0	18621	8305	7120	10086	0	0	15797	0	0	11784	6694	8530	211926	31282	0	62796	6492	23154	0	17558	20575	1393	0	0	28236	12291	10864	0	29670	0	0	10736	0	Lipid	0.10526316	1.5263158	0.05263158
10	C19 H29 O2 N1	304.2271	304.22757	0.18177655	304.22717	17913	12587	16321	11828	2516	4967	16925	40397	1162	12609	8379	12590	1136	3020	16681	37217	15573	2180	4569	23041	16565	2199	11002	37252	17248	6554	25866	10557	26599	29266	27755	33123	36527	30341	16865	27834	36676	15949	8226	16532	0	9696	0	0	0	8052	4806	0	39070	26814	15094	15257	5076	0	0	2314	3226	32594	0	0	30444	2710	0	0	3317	4277	10468	30722	0	6696	6034	38762	29873	29671	23479	29884	0	18517	6903	0	8310	0	0	11587	870	1277	8756	10640	9309	37786	31977	0	35221	5283	23145	0	15504	18413	1580	0	0	31087	13982	9837	0	23510	1303	0	10096	0	Lipid	0.10526316	1.5263158	0.05263158
22	C19 H29 O2 N1	304.2271	304.2275	0.19034189	304.22717	2945	4415	2851	5780	0	1359	8739	11081	0	0	1452	11385	0	0	2283	30336	5532	24369	6763	1752	2376	5187	2774	6026	8855	5238	12031	2973	4692	9530	10308	4772	6652	6869	0	4339	4566	2453	6640	3364	5869	3718	0	0	0	2696	4714	0	9538	5560	4060	4651	1654	451	0	0	1453	16616	1579	5413	21645	1429	0	0	0	1710	3916	6414	3795	0	4722	5808	3569	12056	5884	5670	0	4541	4375	6145	2031	2098	1809	2401	1364	2209	17787	10989	2681	54574	6783	3696	5488	2620	3352	0	6056	3197	0	0	0	9960	10278	4385	1985	4713	0	0	17240	0	Lipid	0.10526316	1.5263158	0.05263158
24	C19 H29 O2 N1	304.2271	304.22745	0.049894013	304.2271	9102	5872	3973	5045	4505	3144	5158	10808	0	2396	5617	8101	0	0	7490	14655	18389	22518	9288	5451	3287	5410	6529	8004	7645	22991	7780	5285	9862	18426	10095	11286	12132	7989	0	13732	12030	4748	14771	9676	17904	6734	0	0	0	7759	18208	0	10197	13755	6883	8529	3275	0	0	0	1481	10406	3583	15966	12134	5553	2489	1725	0	3373	3285	15133	10105	8360	10983	6077	6590	16245	13952	14815	0	7639	6945	15452	3975	6426	9016	8233	1870	0	14105	12079	6899	47953	13163	9473	9188	7007	8130	0	6855	9856	1273	0	2237	17986	6071	15191	4402	8428	1786	0	11757	1801	Lipid	0.10526316	1.5263158	0.05263158
12	C19 H29 O2 N1	304.2271	304.22754	0.2034288	304.22717	12959	11445	16655	11578	1167	1909	36977	33643	0	10788	11310	16928	0	1042	13630	42169	7872	0	2303	19238	17558	0	10610	28436	16674	11371	89733	8741	28021	27137	29063	28283	20076	33192	12137	33421	23804	17224	4726	5151	0	5307	0	0	0	2771	0	0	38123	29752	13757	12347	1733	0	0	0	1082	36526	0	0	32421	0	0	0	1502	0	5598	22528	0	10891	7649	30067	31842	29617	23540	26925	0	23488	7369	0	7209	0	0	7120	0	1428	6656	4410	5939	53622	22582	0	48585	4188	14031	0	14142	11379	0	0	0	25563	20580	0	0	34205	0	0	6079	0	Lipid	0.10526316	1.5263158	0.05263158
6	C19 H29 O2 N1	304.2271	304.22757	0.11251236	304.22714	7873	8168	8246	8458	449	1141	5503	20027	0	5853	4192	8403	0	0	10827	32625	8576	1029	1129	8397	8073	2580	7508	21340	19473	1179	9323	3077	13608	15687	17818	16925	15035	12573	7689	12131	14385	7475	9304	6335	0	3394	0	0	0	4574	3418	0	20560	19447	8783	8422	2196	0	0	0	1833	25189	0	0	25850	1491	0	0	1057	761	3539	17879	0	1970	0	16404	13087	16953	14996	13147	0	9871	6630	5099	6862	306	0	5029	0	0	6744	2819	5013	35536	12103	0	56646	3724	14394	0	8308	7829	0	0	0	15990	9200	3820	0	19523	0	0	9704	0	Lipid	0.10526316	1.5263158	0.05263158
14	C19 H29 O2 N1	304.2271	304.22754	0.19782566	304.22717	5873	9767	9102	8335	0	0	8335	16226	0	4148	4046	7188	0	0	5220	30920	3401	0	0	11196	6805	0	3801	13652	23877	8075	19565	0	6831	9537	7962	0	5664	7221	3152	9388	8874	4998	2052	5887	0	2434	0	0	0	4058	0	0	9867	9260	6442	10486	1235	0	0	0	2381	37514	0	0	32521	0	0	0	1053	0	2845	8155	0	5233	4475	9209	6354	7288	6493	6278	0	7447	5319	18865	2447	0	0	4785	0	0	15306	1890	2029	180385	65387	0	159316	12629	33186	0	11071	7782	0	0	0	6417	4734	3620	0	47982	0	0	6175	0	Lipid	0.10526316	1.5263158	0.05263158
22	C16 H33 O4 N1	304.24823	304.24857	0.20709203	304.2483	0	0	0	0	0	0	1164	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1071	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1233	0	0	695	0	0	0	0	0	0	0	0	722	0	0	0	0	0	0	0	0	0	0	1830	0	0	0	0	0	0	0	0	0	0	0	779	0	0	0	0	1674	0	0	0	3374	0	0	0	0	0	0	0	0	0	0	0	0	95186	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	2.0625	0.0625
28	C18 H34 O1 N1 Na1	304.26108	304.26154	0.45302987	304.26123	3112	892	2593	1907	0	0	0	0	4352	0	0	0	0	0	0	0	0	0	0	0	0	0	2413	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10023	0	0	0	0	0	0	0	0	0	0	0	0	2472	2117	0	0	0	1924	2862	0	3504	0	0	8318	0	0	1171	4316	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2566	2952	16680	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.055555556	1.8888888	0.055555556
20	C17 H37 O3 N1	304.2846	304.28488	-0.009663536	304.2846	0	0	0	0	0	0	5765	0	0	0	0	0	0	0	3433	0	0	0	0	0	0	0	0	0	2274	25356	15385	2709	0	0	0	1853	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	811	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	361	0	0	0	0	0	0	110192	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1764706	2.1764705	0.05882353
16	C17 H37 O3 N1	304.2846	304.28476	0.26869172	304.2847	0	0	0	0	0	0	21163	0	0	0	0	0	0	2477	0	0	0	0	0	0	0	0	0	0	0	5709	13300	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1415	0	1987	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	195797	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1764706	2.1764705	0.05882353
14	C17 H37 O3 N1	304.2846	304.28482	0.27744004	304.2847	0	0	1676	0	0	0	40346	0	0	0	0	0	0	9610	0	0	0	0	0	0	0	0	0	0	0	21451	28177	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1506	0	315	0	0	0	0	0	0	0	0	0	0	7169	0	0	0	0	0	0	0	0	0	0	0	327	0	0	0	0	0	0	482624	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1764706	2.1764705	0.05882353
22	C17 H37 O3 N1	304.2846	304.28494	0.08200074	304.28464	0	0	1308	0	0	6840	46457	0	0	0	3507	1314	0	0	4744	0	0	0	0	0	0	0	0	0	10205	58197	98861	33293	0	1478	0	0	0	0	0	0	0	1423	0	0	0	0	2708	3682	3858	0	1457	4046	0	1802	0	1859	0	4359	0	0	1993	0	0	0	0	0	0	0	1338	0	0	0	0	0	0	1320	0	1043	0	0	3454	1504	0	1505	0	0	1197	408497	0	1378	0	0	0	0	0	0	0	0	0	0	0	1745	0	0	0	0	1515	0	2276	0	1820	4081	1291	0	Lipid	0.1764706	2.1764705	0.05882353
18	C17 H37 O3 N1	304.2846	304.28458	0.10256514	304.28464	0	0	0	0	0	0	16171	0	0	0	0	0	0	1686	0	0	0	0	0	0	0	0	0	0	0	7148	17576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	219116	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1764706	2.1764705	0.05882353
14	C14 H8 O8	305.0292	305.02966	0.3127052	305.0293	4856	6332	3770	5541	26995	12759	0	0	25374	0	1742	3155	39261	18336	4806	0	2088	36451	33678	0	0	4974	10072	3021	1498	0	1445	0	2004	0	1183	0	5669	2000	0	0	3784	5419	1331	0	0	12006	0	0	366	0	0	493	1639	0	7508	5390	18040	0	21863	15985	13751	2301	0	0	0	0	53936	25305	15540	35256	13642	2639	0	0	0	1545	0	0	2970	0	262	4559	8668	0	6251	0	0	0	30039	12453	8620	13405	14877	5135	0	2641	0	2930	1911	0	4108	7691	15086	30390	28101	0	4723	0	0	3417	15380	0	1632	35261	Phytochemical	0.5714286	0.5714286	0.0
28	C14 H8 O8	305.0292	305.02948	0.114218295	305.02924	6415	6851	5167	4712	15117	7505	4452	0	11647	0	0	2469	21174	13267	2830	2591	2100	25076	28420	0	0	2725	4262	2055	0	0	3824	0	0	0	3872	0	4596	0	1845	0	3161	1479	2246	0	0	2421	0	0	0	0	0	1358	1236	0	6118	7354	11788	0	14095	7017	5559	2032	0	0	2819	0	23642	12000	3746	22874	5295	3928	0	0	0	967	0	0	0	890	0	2106	15547	0	19328	0	0	0	24219	9597	10547	4429	7176	8089	1439	921	2308	1502	0	0	7566	6825	7815	14237	17934	5939	3895	0	0	1731	9066	0	4511	21086	Phytochemical	0.5714286	0.5714286	0.0
26	C14 H8 O8	305.0292	305.02945	0.18633036	305.02924	2666	3735	4778	3321	11714	8712	2574	0	13686	0	0	0	16453	13294	0	0	0	28898	24521	0	0	0	4768	0	0	0	3607	0	0	0	4167	0	2303	0	0	0	2249	2959	2370	0	0	0	0	0	0	0	0	0	2067	0	3119	3314	9308	0	13510	0	4851	1846	0	0	0	0	27157	15938	3739	20322	4975	0	0	0	0	0	0	0	0	0	0	0	12035	0	17669	0	0	0	22695	11119	9705	7527	5349	2942	0	0	0	0	0	0	3241	0	6375	11893	11852	0	0	0	0	1541	6893	0	5004	26948	Phytochemical	0.5714286	0.5714286	0.0
18	C14 H8 O8	305.0292	305.0296	0.23114121	305.02927	3786	5266	2994	3653	20214	10623	4005	0	12126	0	0	2891	23898	19864	4578	1977	0	25339	19736	0	0	2892	6931	1817	2248	0	3471	0	0	0	2728	0	4156	0	0	0	1729	5179	1750	0	0	6855	1321	463	590	1736	0	1673	1839	0	4005	5347	9482	500	11820	10326	7694	1673	1641	0	2041	0	35658	16196	8789	19542	11105	1836	0	0	0	0	0	0	0	0	359	2408	9672	2017	5940	0	0	0	22046	13366	12859	7504	8557	3092	0	0	2303	1573	2053	698	3162	4710	8228	24099	21518	1436	2895	0	0	3609	11286	0	1824	23067	Phytochemical	0.5714286	0.5714286	0.0
22	C14 H8 O8	305.0292	305.02963	0.2840031	305.02927	1634	2502	0	2083	7686	6760	0	0	11625	0	0	1617	11106	7114	2297	0	0	11666	11990	0	0	0	4332	0	1284	0	0	0	0	0	1429	0	1496	0	0	0	0	2082	0	0	0	3458	0	0	889	0	0	0	0	0	1855	3448	6203	367	7831	7030	3555	0	0	0	0	0	14135	10802	1558	11345	3801	0	0	0	0	0	0	0	0	0	745	0	8599	1641	9094	0	0	0	15583	6427	7050	4625	4836	2382	0	0	0	0	0	0	1457	1448	4390	11631	8566	0	0	0	0	0	5784	0	3198	20055	Phytochemical	0.5714286	0.5714286	0.0
12	C14 H8 O8	305.0292	305.02972	0.3369893	305.0293	4800	3401	2437	4686	17090	7613	0	0	15703	0	2661	1923	19379	8301	2123	3238	0	23862	19441	1330	0	0	4720	0	0	0	0	0	0	0	1219	0	3922	0	0	0	3860	2630	2378	0	0	7988	385	0	0	0	0	385	0	0	4224	7383	10681	0	10905	11429	9434	3297	0	0	0	0	34805	20275	5967	19745	6612	0	0	0	0	0	0	0	2145	0	214	1879	4206	0	3423	880	0	0	16857	5833	3875	12643	13017	0	0	0	2142	0	1361	0	1952	2267	11782	18420	15238	3404	2675	0	0	1350	12099	0	0	32259	Phytochemical	0.5714286	0.5714286	0.0
16	C14 H8 O8	305.0292	305.02966	0.28892177	305.0293	5106	4100	6135	6042	18132	13510	2826	0	18278	0	0	2044	27853	19448	3958	1939	2006	31073	24394	0	0	4551	10778	0	0	0	1608	0	1539	0	2024	0	3845	1639	0	0	3913	5200	0	0	0	8254	770	0	797	2104	0	1382	0	2328	5480	5681	14582	0	14917	16349	9592	2841	0	0	0	0	36458	19513	11254	41237	10059	4581	0	0	0	0	0	0	0	0	590	1883	8679	0	6844	0	0	0	26142	14036	4958	11286	14863	0	0	0	0	1652	1772	546	6429	5899	11471	25478	20190	3108	2456	0	0	0	13624	0	3185	41842	Phytochemical	0.5714286	0.5714286	0.0
20	C14 H8 O8	305.0292	305.02957	0.2773925	305.02927	2849	4601	2554	1600	11771	5973	0	0	12805	0	0	1821	15601	11267	3430	0	0	16829	9779	0	0	0	3313	0	2566	0	0	0	0	0	1904	0	2945	0	1656	0	1699	1369	0	0	0	2193	750	752	1005	0	0	2360	0	0	2341	0	8202	418	7893	8679	3942	2472	0	0	0	0	21208	10546	5102	15931	4670	0	0	0	0	0	0	0	0	0	809	1611	8606	0	6737	0	0	0	18357	9276	3206	3035	5591	1773	0	0	2227	0	0	0	3025	2921	7103	17395	11243	0	0	0	0	0	7581	599	0	24817	Phytochemical	0.5714286	0.5714286	0.0
22	C15 H12 O7	305.06558	305.06598	0.22982676	305.06564	16603	21675	18094	18884	50752	27357	6839	4951	40231	13346	6668	8117	56942	24585	10040	9747	6214	61649	43666	5611	15218	25837	14379	11757	7464	4126	6465	6465	7538	2938	6796	4088	10161	3838	18819	4951	15093	13638	6614	8259	14184	10101	2812	0	3980	7898	10907	4933	5889	3124	19938	17646	30789	2739	53262	37278	22102	7350	6420	7735	8738	7822	64882	44284	14699	50350	20864	5034	8189	12222	9064	4471	3479	2387	4988	4114	2402	7044	34181	19260	29654	8221	5217	5362	52489	29080	24918	18462	19207	7417	7573	6926	10332	22076	30558	2714	14849	16467	27024	52509	44693	10586	9700	7265	8211	10264	31673	0	12986	77782	Phytochemical	0.46666667	0.8	0.0
28	C15 H12 O7	305.06558	305.06595	0.08695572	305.0656	8214	8850	8832	8259	15906	9065	4598	2748	13857	9504	4497	4940	21808	11200	4936	7953	5799	21129	16759	6368	7619	9858	10121	8474	6530	0	5659	4292	3575	2950	4034	3181	7092	3160	11946	4840	5401	6833	7028	5879	5785	5034	2300	1800	3193	5980	5952	4081	4501	3270	9347	10211	10610	3645	18332	12556	7398	5994	2952	3270	8780	2800	19196	11668	7314	16843	7211	7746	4625	5616	6064	4283	3322	2357	3963	3982	0	3810	10902	10171	11194	4440	3832	2526	17965	9698	11376	8065	9118	7319	5290	5395	9050	8981	10450	2379	8837	10588	6927	14684	13890	7524	3736	5183	6367	7973	9720	1246	6895	20277	Phytochemical	0.46666667	0.8	0.0
24	C15 H12 O7	305.06558	305.06595	0.21481702	305.06564	10892	12004	12703	9891	25419	14157	2927	4064	23575	11020	3970	5398	43088	16741	7390	7887	3644	33243	30010	5877	6938	12829	13210	5641	6919	3555	3018	2560	1680	3380	3839	4559	9380	3456	10418	3712	9028	6646	4882	6305	4800	6408	2968	0	0	6677	12616	4980	3026	1156	9799	11335	20386	0	31613	21229	11640	5466	3047	3260	7446	2433	39779	27269	9908	29949	9499	4274	3721	2590	5493	2772	1726	1509	3262	1861	0	3895	19496	12590	18377	7746	4706	2502	38610	16848	16035	10773	15893	4057	5110	5706	10139	13115	14323	2482	6613	12010	16678	32043	24569	6511	3728	3620	5724	6475	15560	2330	7708	45563	Phytochemical	0.46666667	0.8	0.0
26	C15 H12 O7	305.06558	305.06592	0.17733793	305.06564	9517	8593	11758	7765	21590	14468	3232	0	19062	6325	2770	7407	31901	12912	10571	8140	6156	32758	26655	4973	6239	12402	12936	8805	5735	0	3922	3502	0	0	3300	0	6506	4012	13096	0	7583	7630	6196	4131	5490	8796	0	0	0	5090	0	0	3355	0	10120	7619	16175	0	21230	17020	10630	6355	4060	0	7661	3355	26386	19566	7311	23423	10100	7061	0	3689	5423	3085	0	0	0	3176	0	4180	19925	6557	18842	3394	2418	2643	22704	14202	11815	11583	11148	7400	8707	4993	7148	6954	10274	0	12413	9711	12229	17558	20481	7425	6883	0	0	6252	9513	0	7989	31322	Phytochemical	0.46666667	0.8	0.0
18	C14 H12 O6 N2	305.0768	305.07727	0.2724569	305.0769	7712	8538	8623	8774	11680	7876	7731	6726	7662	14493	5090	9422	10861	5365	8178	13093	13438	14918	10687	2631	8559	23843	13224	11824	6446	1754	7283	3279	5484	5593	6311	5728	16627	5987	6230	6175	12723	7196	15367	9504	22964	8708	1056	0	439	5714	14043	649	8112	8156	11429	6255	9876	298	7398	7666	7668	13407	4646	10649	12611	9800	11621	12838	5010	13763	9150	18903	5240	2286	8752	6326	4259	2784	8863	0	325	5600	17611	18476	11635	5458	6121	3070	10901	9185	18946	14685	9100	40358	10484	9883	24219	18824	20212	527	11901	7737	6366	9746	6323	8413	6351	6465	2566	12378	5520	0	14654	16521	Unclassified	0.42857143	0.85714287	0.14285715
12	C12 H16 O9	305.0867	305.08725	0.31040388	305.0868	2490	0	0	2379	7989	6327	0	0	14218	0	2415	1483	13867	4932	0	0	0	10496	13520	1929	0	0	2057	0	1141	0	1849	0	1905	1470	1409	1396	3507	1507	2416	0	1752	2347	1403	0	0	4039	0	0	0	0	0	0	0	0	3172	0	7190	0	16680	8474	4272	0	0	0	0	0	17780	13109	3074	10183	4554	0	0	0	0	1259	2293	2479	2112	0	0	2158	0	0	0	0	0	0	7948	2729	0	2050	4512	0	10438	9743	0	0	0	0	3917	3714	8037	6881	6347	2552	2086	0	0	1706	5323	0	0	24429	Unclassified	0.75	1.3333334	0.0
8	C12 H16 O9	305.0867	305.08725	0.3176418	305.0868	6144	3456	0	4648	10742	7213	1255	1811	13099	0	3555	2509	27405	5422	2367	3583	3510	15773	15504	1682	1724	0	2576	2405	835	0	0	0	2511	0	2531	2192	3504	2317	2561	1540	3580	1713	2915	0	0	6099	0	0	0	0	0	0	0	1393	3775	4062	7527	0	12721	9424	3011	0	0	0	0	0	18332	13152	3621	13899	6268	3208	0	0	0	2916	3083	2909	2836	1626	0	1959	1911	0	1405	0	0	0	7454	0	3793	5501	6861	3605	25722	9623	3267	0	0	0	3766	3724	7194	9969	10347	4186	1114	0	0	2839	10660	0	0	25028	Unclassified	0.75	1.3333334	0.0
10	C12 H16 O9	305.0867	305.08728	0.33459133	305.08682	5416	2591	5706	4586	11583	8709	1995	2201	18047	0	3559	2468	34748	6730	2245	2596	2701	19013	17436	1728	2291	0	3326	2699	1534	0	0	0	2760	1567	0	1860	4995	1790	2483	2207	5192	2046	2898	0	0	4718	0	0	0	0	0	0	3551	2222	4577	3619	9490	0	24321	13709	5578	0	0	0	0	0	27471	18343	4813	19081	7411	3415	0	0	0	1965	3692	2331	3926	2022	0	2335	1838	0	1753	0	0	0	11479	4610	1870	7238	7127	0	20773	7744	3207	1739	0	0	4150	6634	10102	11172	10396	4336	2297	0	0	2438	11041	0	0	34370	Unclassified	0.75	1.3333334	0.0
12	C10 H16 O5 N4 S1	305.09143	305.09186	-0.1506539	305.09137	0	0	0	0	9986	1457	0	1274	1939	0	0	0	1347	35365	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1396	0	0	0	0	0	0	8924	0	0	0	0	0	0	0	0	2694	0	5884	0	2331	1382	7443	0	0	0	0	0	0	1911	5358	5909	22735	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	916	2100	0	0	1461	0	0	0	0	0	0	0	0	0	0	0	1188	0	0	0	0	0	3649	0	0	0	Peptide	0.5	1.6	0.4
10	C15 H16 O5 N2	305.1132	305.11368	0.14595826	305.11325	297057	278092	265680	252255	174078	149296	232124	297241	153990	299509	195438	203077	178737	93671	215345	368381	320544	232235	279382	279584	334844	383364	236027	395551	201675	181189	250136	154657	255535	241103	258090	304462	402933	286665	316392	243018	382732	213006	429777	323390	408872	164917	4503	1469	1207	241007	245576	1573	315842	257847	295376	279493	181614	1909	188231	103393	111864	371993	178783	233241	344609	193171	166489	164573	104438	203740	184685	433405	260198	320419	394566	281171	230441	182581	249964	253850	1119	180661	310145	182761	293621	179582	173496	166731	150149	124872	336736	237477	201025	493021	206883	229204	470837	231980	336958	2599	281019	264918	110752	134232	126264	331747	193057	267015	139042	324228	113888	1071	287589	242274	Peptide	0.33333334	1.0666667	0.13333334
20	C15 H16 O5 N2	305.1132	305.11362	0.2309214	305.11328	17005	16312	18136	15809	16324	13029	19306	17419	8908	9438	9089	14756	8563	9726	18330	24728	24035	18090	18260	3323	9819	20246	20532	33185	23403	4728	19211	10286	21350	11452	23701	18767	34847	21558	8962	17772	31691	19326	19132	14368	28590	22814	1742	1997	1557	9900	10285	1841	22966	10903	16677	17004	17056	1509	11351	7512	18134	24364	7970	17105	22980	9136	8869	11447	14106	15814	20096	29044	6754	5407	9401	14432	12641	8776	12250	10836	1130	14034	24368	18742	22162	7217	14201	8432	11869	17264	27089	28345	23971	36112	26552	24295	43186	19369	11306	1451	16639	15769	9876	9847	11435	40407	14216	16710	5201	30779	13285	1575	28978	17019	Peptide	0.33333334	1.0666667	0.13333334
8	C15 H16 O5 N2	305.1132	305.1137	0.1532579	305.11325	251929	295006	224902	272764	169464	143134	181354	237591	174872	309785	205433	198511	197016	82706	202915	304700	318086	214562	269978	314412	369077	407869	228323	342002	177184	172568	208886	155120	187842	183605	203758	235943	310597	199898	397246	185334	306638	208800	395010	333168	449873	150057	2348	812	935	257363	292220	624	270648	203496	247741	266135	171593	978	209820	117325	124364	256689	157338	241400	258008	210451	207715	191923	117502	208390	168771	405094	248383	314991	448194	213168	186241	134964	184120	194626	441	175504	299623	172024	246411	177466	169952	182693	157397	120109	279002	214354	200104	479002	181177	242244	458949	245055	300577	1671	260112	253201	125363	162278	153171	286380	175929	253899	130336	279115	129102	801	220450	245208	Peptide	0.33333334	1.0666667	0.13333334
6	C12 H20 O5 N2 S1	305.11658	305.11694	-0.15650655	305.11652	228963	250589	214810	229435	164146	127834	150410	208022	170028	300936	195980	152526	176122	76457	182772	278587	202681	223003	287089	268346	349855	337229	203667	271893	135159	142977	143337	135272	159754	155050	203698	195730	300517	186350	366422	165594	281093	186911	304928	224472	374053	146761	1850	526	746	225033	296236	705	254280	180632	239705	226105	164385	1032	190429	110430	114626	253303	123301	222956	258526	185340	213088	151147	92961	176305	177709	320725	216351	279830	403755	179813	151559	123128	102922	143946	623	124538	228251	129036	201494	154492	132742	130954	139218	131986	234297	204287	184262	388635	187746	234329	406566	210780	267852	1043	221472	213442	98609	125236	142050	277372	155620	221778	132293	264062	111170	879	173159	242219	Peptide	0.41666666	1.6666666	0.16666667
20	C20 H16 O3	305.11722	305.1176	0.18510643	305.11728	5514	1547	2383	2640	1875	1263	2541	1516	0	2153	6129	1135	3229	2075	1798	3242	2408	3486	4386	0	4054	3512	2279	0	3232	21577	1400	5553	2248	1365	2569	2257	0	0	4630	2169	2839	1730	4047	1834	5956	3300	0	0	0	0	4033	0	3276	1792	2044	2428	2283	0	0	1293	2854	5452	0	4672	2479	2823	1908	2433	1418	3902	1907	3743	11411	11188	18332	0	1663	0	0	1965	0	1967	3077	3606	3817	2008	1850	0	2341	1406	5280	2766	2873	3343	3945	3012	5942	3630	3659	0	3901	3761	1707	3048	1656	3654	2343	1331	1802	1823	3463	0	3602	3817	Phytochemical	0.15	0.8	0.0
22	C20 H16 O3	305.11722	305.11765	0.21951848	305.11728	3175	4560	5214	4154	4606	1960	3346	3563	3804	5159	9024	1652	3529	0	4015	1955	4516	2574	2791	4987	7054	4626	3834	3676	3531	18921	2261	8884	2183	2650	2548	0	1641	1300	5321	3958	2586	2204	4856	3735	7556	3172	0	0	419	4768	5277	0	2462	2842	4274	4180	3959	955	2819	3167	2987	3889	1846	4168	2196	4078	1544	1664	3080	5429	6786	5976	18242	12642	21698	2474	2606	0	2037	2581	374	1239	3492	5970	3022	4175	1889	5740	2320	2377	4858	4019	4984	6761	6919	0	3779	6989	3855	0	4849	5392	3947	3091	3628	3923	2415	5459	3679	3232	2844	0	3437	2964	Phytochemical	0.15	0.8	0.0
12	C13 H20 O8	305.1231	305.12354	0.24561773	305.12317	0	0	4094	3634	6926	6578	4598	4872	15695	0	0	2393	16936	11136	4213	0	3042	13987	12090	0	0	0	3430	0	4015	0	1853	0	5849	3697	5643	2606	7818	5417	5359	5084	4849	2812	1767	0	0	5466	617	688	415	0	0	0	5475	3920	4127	4254	9060	850	21514	10691	4822	5148	0	0	0	0	12625	14018	9510	13140	6623	0	0	0	0	5328	3790	6079	2723	2736	0	5055	2346	0	2170	0	2697	1405	9577	8683	2830	3949	6041	0	0	6466	4783	0	0	0	3183	2996	10335	7331	11899	0	4552	0	0	3038	13831	519	0	19424	Unclassified	0.61538464	1.5384616	0.0
14	C12 H20 O7 N2	305.13434	305.1349	0.6040704	305.13452	3919	4563	3847	0	0	0	0	0	0	17088	72882	0	1797	0	0	0	0	0	0	0	0	0	0	0	0	0	0	729808	1335	0	0	0	2088	1387	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3152	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1623	0	0	0	0	0	0	0	0	0	1162	0	17986	0	0	0	0	0	0	1484	0	0	0	63557	43880	0	7937	4275	0	5151	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5833333	1.6666666	0.16666667
2	C12 H20 O7 N2	305.13434	305.13495	0.30625078	305.13443	19908	22372	19160	21514	18791	1017497	5234	21067	11533	3743	3433	9059	29805	13859	9960	2417	10890	28427	24514	3601	4334	14183	10807	17356	5828	0	1595	6187	35048	12983	28039	24980	39413	25100	8178	18969	25795	7272	13085	2031	0	28871	0	0	0	5267	1104	0	24601	10414	23892	24413	19642	0	13969	6091	5420	26108	2612	2256	7116	403	29534	14638	5100	30511	26695	17738	0	1609	0	29997	25953	19572	2242	14656	0	10686	4854	7443	5713	10514	1212	0	8387	6547	5875	18418	23981	16122	106299	65455	27887	2122	0	0	21135	21090	6429	6453	6331	15524	10051	5062	5163	29048	6712	0	4428	45447	Peptide	0.5833333	1.6666666	0.16666667
12	C12 H20 O7 N2	305.13434	305.1349	0.63519585	305.13452	4032	3565	2186	4987	1047	0	0	0	0	23869	47737	1405	2253	0	0	0	0	1766	0	0	0	0	1487	0	1705	0	0	358940	0	1333	0	2113	0	0	1449	0	1899	1254	0	0	0	0	0	0	0	0	0	0	0	1526	4118	4373	1109	0	0	0	934	0	0	0	0	0	0	0	0	1501	0	0	0	0	0	2806	0	1464	1716	0	0	1421	0	20729	0	0	0	0	0	0	0	1414	0	0	100712	89353	0	0	6749	0	3757	3541	0	0	0	0	1394	0	0	1799	0	0	1146	0	Peptide	0.5833333	1.6666666	0.16666667
10	C12 H20 O7 N2	305.13434	305.13486	0.37682423	305.13443	2199	2663	4307	4124	1064	2067	1222	2181	1511	2701	23052	2020	2114	0	1430	2279	2786	2001	1919	0	0	2361	2381	0	2639	0	1475	286733	3213	2085	0	2242	1666	2312	0	1651	2415	2363	0	0	0	1672	0	0	0	0	0	0	1908	1825	3315	2906	2112	0	2479	0	2101	2722	0	0	0	0	976	1436	0	2288	1316	2904	0	0	0	1622	2213	3434	1758	2736	0	1198	2774	9454	0	1003	1676	0	1705	1448	3783	1605	1440	3305	13191	11709	4453	3039	1952	0	3570	3983	0	0	0	4139	984	0	0	1831	1982	0	1973	1710	Peptide	0.5833333	1.6666666	0.16666667
8	C8 H21 O3 N6 S1 Na1	305.13663	305.1368	-0.3286444	305.13654	0	0	983	0	0	738	1475	1700	0	0	1452	979	1828	0	846	1481	1060	1157	0	0	0	0	0	0	0	965	1320	0	0	999	1207	1562	935	1344	1453	0	1008	815	2274	0	1112	0	0	0	0	0	0	0	0	1176	0	0	1105	0	0	1238	1176	0	1432	2164	0	1807	0	672	0	1188	1011	0	0	0	0	0	0	0	22430	757	0	0	1244	0	0	0	1616	0	0	0	1661	840	0	1878	0	0	1999	0	0	0	0	0	0	2885	0	1324	1366	0	0	0	0	0	1416	0	Organosulfur	0.375	2.625	0.75
10	C17 H20 O5	305.13834	305.13882	0.14977194	305.1384	947484	817944	735822	738096	534450	407396	691096	1016286	294159	751124	557032	671210	284864	179989	692792	1091494	835234	325393	792580	1085380	1063984	899460	761346	1078980	622468	692918	731096	243086	810848	821424	780490	820004	902396	624974	885558	765404	804786	684562	1016014	857044	868296	519518	35213	24775	29676	398846	786312	30601	843982	810586	817322	847652	506478	24580	398745	291243	409328	1011330	343009	411118	516000	507506	279123	308684	187751	295739	472452	1016980	608284	1390242	1576280	650366	683224	772158	831650	865512	24398	552498	989452	223480	911354	684026	765202	555114	360136	477886	931990	441912	531958	1027850	316253	358002	1057222	555838	774620	35442	827454	851736	275169	318803	349563	801056	637482	462548	288252	731436	260377	24703	716440	302444	Phytochemical	0.29411766	1.1764706	0.0
20	C17 H20 O5	305.13834	305.13873	0.1611676	305.1384	1195853	1291164	1220361	1057240	1198621	1081686	686359	1068602	1150868	1983017	1152513	679182	1590879	927433	987479	1112369	789424	1695202	1717203	2408748	2271325	1385829	912509	1161777	877005	1718059	654946	1195269	1142268	898055	875010	1025967	1390214	1063039	2147196	936988	1533977	753865	784371	1583674	1295813	888993	66519	36802	34629	928915	834501	43841	1078512	796478	1251005	1279956	1071924	32698	1355030	1059265	749511	1214058	936096	672416	1137554	1065995	1389488	1102568	586826	1371232	1010769	820980	1407894	2107294	1994998	1008542	959555	883832	781193	1030352	30527	748616	1044189	907323	794721	623783	845816	1081770	1029719	755939	1029432	930418	996903	968619	1353510	1384553	1428609	973261	1224380	51736	1236574	1287679	936067	1118000	1137115	1336264	765817	1283593	649233	960037	843153	38518	790234	1601683	Phytochemical	0.29411766	1.1764706	0.0
8	C17 H20 O5	305.13834	305.13885	0.17175236	305.1384	352482	341914	224122	350312	170126	154086	267578	369872	121402	144359	215558	273040	104666	68362	296522	392214	370638	215438	295014	423578	375868	413846	341552	438662	238020	213109	269074	108268	334972	340706	292566	332498	321966	252434	357854	344502	302742	297968	434738	343694	348858	209138	24797	17179	23800	381998	353214	21008	354648	355434	308248	174384	196266	16267	151541	108999	200964	334640	141942	338632	195367	213610	118249	115925	78513	198640	176952	386784	202484	444632	522726	289944	297774	318786	269526	388966	19034	249732	435518	101482	369918	322794	353150	245372	131881	78095	373964	172496	233170	456330	141577	153254	433632	234210	298654	25725	323162	341134	115269	142308	129905	315826	300982	202047	112083	291584	97414	16624	306190	104240	Phytochemical	0.29411766	1.1764706	0.0
22	C17 H20 O5	305.13834	305.13873	0.17539576	305.1384	521251	527570	426421	499161	574000	508780	280122	456681	541873	747928	436448	290322	630768	424761	430379	446130	333565	822815	661932	800363	784747	555193	454347	499327	431579	550821	262441	436444	513940	393908	421742	470530	590073	461116	757315	445415	653709	363195	323369	549490	426598	362904	54770	40073	35760	391453	297945	39052	471651	377660	507038	510152	490664	29146	658173	520535	368935	514649	405119	232173	490709	396799	669646	518725	275868	687837	515561	319865	458682	822492	695003	441788	371375	372854	234557	414020	27841	330458	489049	300321	397213	267287	334120	359833	532515	387081	489832	407595	443349	372730	562825	606193	577645	351425	540954	44202	469203	514462	435341	557725	524949	557260	338538	501330	300146	441428	407272	35806	347626	762517	Phytochemical	0.29411766	1.1764706	0.0
14	C17 H20 O5	305.13834	305.1388	0.16232456	305.1384	1649711	1652666	1470439	1615738	1285942	933603	1247863	1517493	1317904	1865333	1309954	1041946	1445162	782970	1212123	1688056	1536100	1644027	1624617	2435920	5356278	1706418	1345937	1558057	1125341	6861946	1253892	1301207	1338946	1357486	2481428	1527916	3353036	2407552	2116961	1349328	2922192	1111675	3345362	3756126	2038749	1053054	68983	27703	26492	1294945	1398769	32834	1584396	2531482	1559296	1497347	1192276	26256	1571790	1103617	912791	3668740	1194068	1298636	1579112	1159501	1495753	1342859	789118	1362687	1087552	3148614	2658520	7464762	8073534	2420970	1203855	1289111	1342471	2816804	22607	1060526	1638540	1108177	1435808	1078303	1366147	3060610	1368386	835410	3240322	1108012	1193714	1930307	1535360	1366831	3815322	1070628	2969544	46060	1605007	1567983	1144136	1369245	1343086	1510657	1075714	1651146	806807	2766538	1085761	27648	2453534	1313623	Phytochemical	0.29411766	1.1764706	0.0
16	C17 H20 O5	305.13834	305.1388	0.17228632	305.1384	2009554	2130861	1995556	2059824	1840793	1385557	1487095	1830341	1727885	2828985	1861151	1290900	1998073	1126703	1574411	2112363	1886504	2455751	2628646	3777889	3608812	2146262	1735515	2062379	1395261	4236595	1393763	1717960	1660013	1621416	1720383	1832926	2145967	1527735	2996264	1733398	2130068	1373603	3991200	2635693	2661760	1425632	72679	32832	35776	1579633	1665627	38671	2112716	1720188	2112473	2102839	1660972	33983	1995709	1561662	1207590	2306538	1325331	1575462	1909750	1682309	2062072	1660453	952612	2055287	1556970	3543656	3644232	4968497	10135230	1636512	1656547	1537403	1675307	1758995	28451	1181222	1955130	1493989	1497766	1330410	1640156	2100791	1783863	1176988	1961288	1487637	1574420	2292214	1878312	1968126	2424281	1523492	2111220	53446	2022942	2130541	1416650	1584803	1790547	2137278	1122047	1815172	904975	1849527	1480588	30750	1538856	2149930	Phytochemical	0.29411766	1.1764706	0.0
16	C16 H20 O4 N2	305.1496	305.15	0.07934673	305.1496	94009	99799	99261	92131	71758	53761	86459	107621	42696	103654	70375	66572	54426	44911	85750	116525	112810	73533	72967	107737	105004	134174	73920	144224	87141	73997	81261	76177	91564	82255	93093	114552	139507	105224	109464	93973	163903	67405	124236	116108	126075	56362	1294	666	839	80553	76993	988	116476	102580	99959	92136	73305	918	37836	32018	39782	141014	63357	72417	115893	65383	36253	36953	32703	70430	65092	125919	69220	107418	129181	103059	89108	87176	81874	90112	511	59209	84504	102988	70863	63092	67568	82940	41296	37322	92752	79467	62680	156000	130316	137702	222700	83888	120971	1015	90859	87358	40535	51957	53914	133022	65351	90847	41380	152453	46522	683	109096	66530	Phytochemical	0.25	1.25	0.125
22	C16 H20 O4 N2	305.1496	305.14996	0.21049325	305.14966	6192	3760	4406	4412	3659	0	2374	4898	1590	1885	2611	5490	0	0	6441	6945	11219	3366	0	0	2264	7720	7339	10782	4268	0	4918	17999	4897	3795	6015	4538	3918	6503	1750	7049	4645	3873	6208	0	3132	3971	0	0	526	1693	2731	0	5676	6663	5430	3689	4824	450	0	1380	2907	5916	3612	3852	7266	2155	0	2035	2203	2310	3498	7649	2154	0	2804	6506	6723	4688	3439	4626	901	2683	5585	5825	4458	2347	1764	0	0	0	8820	6361	4525	26385	10550	11826	20941	3864	2421	0	2919	2231	2639	1957	0	7993	4732	2716	0	8210	2613	0	7671	2317	Phytochemical	0.25	1.25	0.125
8	C16 H20 O4 N2	305.1496	305.1501	0.10688126	305.14963	274510	293865	250669	278038	139724	131768	201385	283835	116860	293387	181481	153766	114575	91032	193191	330342	218476	140329	222686	381025	371959	311148	197082	367747	230520	228039	211673	197759	246773	222857	252444	300204	387214	260228	402344	241352	402404	172852	318448	330157	312336	133843	2109	532	433	258443	237189	485	335243	221190	275428	279114	152155	615	138215	78186	85126	299575	81047	146870	312189	162335	93178	113543	86103	131395	138758	311015	176764	322491	330384	245090	232239	209268	194074	258709	366	167832	226348	174644	184692	116115	123458	224204	74472	93329	225556	173844	165043	393748	1371078	996964	518176	213962	309105	1066	267498	263401	88148	91342	90778	360438	160293	247475	96266	294549	98701	517	203429	124275	Phytochemical	0.25	1.25	0.125
20	C16 H20 O4 N2	305.1496	305.14996	0.15198198	305.14963	15160	17094	16666	11239	10705	7978	10882	21911	5184	10471	13065	11443	5886	8804	11118	25470	22531	9181	6744	8548	15557	15829	13971	24106	11537	8322	17091	48714	15393	20592	18383	19230	22369	19195	7172	20388	27021	12151	16206	16180	21334	10777	870	609	465	8633	10394	894	22349	17308	14161	13809	10649	693	5028	2582	6108	25596	11575	12773	23236	7917	4643	5459	6618	8069	10243	19978	13150	14236	15935	23207	19417	19794	15931	17447	635	11532	11131	18272	10504	6855	10753	0	3290	4767	9945	15569	13934	25294	33498	26639	28848	9190	13726	959	16909	16074	3868	5929	4161	28333	12123	11336	6525	21102	4957	885	12779	6961	Phytochemical	0.25	1.25	0.125
4	C16 H20 O4 N2	305.1496	305.15018	0.14427392	305.14963	164973	179609	165312	165297	106675	95856	120350	192721	81720	206158	100065	101133	79034	58538	143196	203414	179423	124531	162422	240360	246386	216223	131663	212826	152556	144913	125124	99384	172633	131340	159913	178971	249078	146407	254103	187228	239821	127007	218975	185312	214127	111067	1690	594	562	157354	181873	770	203258	165181	164064	130371	120967	615	114319	43242	63250	181516	39577	81988	194362	118939	87224	87071	42049	102119	102661	203944	119483	197643	217555	141922	132696	155117	161595	150974	396	128032	164351	132940	134640	69720	89321	133724	69471	71878	153089	119310	125805	227280	364862	224120	297196	137190	227493	1952	155279	171158	63446	56201	54499	233452	114623	221669	92686	176231	67030	756	140829	97185	Phytochemical	0.25	1.25	0.125
18	C16 H20 O4 N2	305.1496	305.14996	0.13704692	305.14963	40528	35034	35141	34359	32334	22129	30303	33698	19339	41732	31845	24028	16360	21222	29869	55802	43661	28229	25052	48406	37296	53917	19037	45956	33248	33866	28154	54294	31149	26545	29974	31740	53697	31591	33906	28990	57226	25367	46850	44550	63128	25432	1302	880	823	31818	38356	704	42624	33524	35764	33031	24798	886	17110	11538	14657	45632	22794	36709	40112	32167	13306	15888	13393	21525	24629	47124	34814	40450	53745	26768	22808	24361	30080	33692	850	22287	27607	46616	28276	20283	25629	31619	15807	13165	34026	31622	27886	46933	70954	60949	69426	32413	51728	722	37233	29563	15761	17790	19227	55558	21186	33058	14950	46500	17606	768	29989	24142	Phytochemical	0.25	1.25	0.125
2	C16 H20 O4 N2	305.1496	305.15018	0.13309112	305.14963	102784	106870	93244	89812	46538	61132	82495	130256	41687	116821	65830	81431	52173	31458	90054	95756	135502	74693	83394	143370	172452	135113	87190	114848	73516	75790	58319	58499	132003	94544	103616	109154	143325	94491	146839	120805	130132	78668	144675	130694	137220	66097	680	471	393	73852	97698	563	121997	100537	90533	95783	57623	467	69475	22171	32585	109264	33910	65059	85107	67702	50648	59670	30328	59910	73834	161281	75529	114030	128091	94114	95093	112439	98514	103401	372	74748	106787	67408	83185	42582	58696	78004	30255	37865	94430	62998	72042	170064	96448	94428	172856	80124	98827	1246	101010	107055	31666	22447	24902	120997	74996	143011	54517	108647	28696	387	86322	58808	Phytochemical	0.25	1.25	0.125
12	C21 H20 O2	305.1536	305.15378	-0.13063486	305.15356	241355	254330	281326	259409	185103	114426	260662	331336	114241	210577	137910	188532	117401	69832	197268	379878	411574	129663	186430	301690	282507	382392	201706	400592	230241	197294	230215	159933	303618	268194	287000	319114	387198	351809	262522	303917	357880	214152	499979	263085	326244	138776	2107	1004	734	227721	224571	687	354965	281211	270360	267919	161891	1050	119838	91712	97162	367405	144949	191272	312655	150582	107635	96895	71354	157242	130612	500487	176605	285821	311587	290902	286629	268141	310470	288009	554	206914	221642	145393	199435	140088	165642	157329	78013	89248	244874	175974	158862	871775	247620	246153	706832	161358	255850	1244	257674	269728	96520	122705	114432	388831	189918	234134	108054	436148	121903	522	267047	140920	Phytochemical	0.0952381	0.95238096	0.0
22	C14 H24 O7	305.1595	305.15982	0.1553725	305.15952	4977	4064	4968	4433	5257	0	0	1379	0	0	6156	3658	0	0	1968	2647	2133	14273	0	3260	0	3020	0	1852	3339	0	2281	25043	1714	2011	3316	0	0	2221	3130	2189	0	2503	5253	2474	2476	3066	12252	13550	13892	2181	3968	15142	1986	2508	3358	3586	10491	13493	1747	3979	3673	1967	2995	2256	1401	2004	0	2985	5056	6111	2058	7383	0	0	0	1409	185887	135428	2598	2332	13732	3096	0	0	1708	7115	0	1676	1656	3014	0	51871	1973	0	8551	8078	0	1665	0	14361	3159	0	5880	1936	2733	3977	3836	1350	8165	1341	3130	17123	1804	2190	Lipid	0.5	1.7142857	0.0
18	C14 H24 O7	305.1595	305.15973	0.2887492	305.15958	3177	2812	2932	3991	1341	0	1306	0	1494	0	0	0	3060	1137	0	0	0	0	0	0	0	0	0	0	0	0	0	709992	0	0	0	0	0	0	0	0	0	1905	0	0	0	0	2351	1607	958	0	0	1487	0	0	2626	2572	1232	1438	0	0	978	0	0	1016	0	0	0	0	1739	2084	1122	0	0	0	2019	0	0	1324	0	0	1001	1250	0	1631	0	0	1235	0	0	0	1796	1164	0	0	0	2996	0	0	0	1486	0	4122	0	0	0	0	0	0	1491	0	2054	1446	0	0	Lipid	0.5	1.7142857	0.0
6	C15 H25 O1 N2 S1 Na1	305.1658	305.16632	-0.015080746	305.1658	1415	1136	553	0	0	2139	0	0	0	0	2220	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9830	0	0	0	0	0	0	0	0	0	0	0	0	0	570	0	0	0	0	0	0	0	0	0	1101	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21457	0	0	0	0	0	0	0	0	0	0	50439	5174	0	3368	2236	0	956	741	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.06666667	1.6666666	0.13333334
2	C15 H25 O1 N2 S1 Na1	305.1658	305.16602	-0.4091763	305.16568	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5987	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26764	0	0	0	0	0	0	0	0	0	0	9590	2489	0	1370	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.06666667	1.6666666	0.13333334
8	C15 H25 O1 N2 S1 Na1	305.1658	305.16608	-0.13681279	305.16577	0	0	854	0	0	0	0	0	0	0	991	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1259	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7170	0	0	0	0	0	0	0	0	0	0	42549	0	0	1622	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.06666667	1.6666666	0.13333334
0	C13 H24 O6 N2	305.17072	305.17133	0.055948917	305.17072	7447	8657	10269	8186	9791	13163	3246	15627	7971	1720	1266	5425	19748	4449	8705	3937	7995	21037	13172	3226	5444	9827	13408	15497	5521	0	0	3239	21568	4663	15176	12283	33728	20247	9204	15902	20168	6570	9151	1850	0	11194	0	0	0	4509	0	0	17082	7838	8437	7758	14998	0	9427	3032	3460	17836	3071	826	8288	0	14345	10836	9410	19157	25457	10983	0	0	0	18498	21270	11454	0	12645	0	9192	6043	11030	3960	1247	0	0	4220	4850	5418	12263	13542	11064	10874	10667	19816	1834	0	0	8186	7326	3055	3759	6065	10227	5597	3730	1073	17800	6904	0	4041	27227	Peptide	0.46153846	1.8461539	0.15384616
2	C13 H24 O6 N2	305.17072	305.17133	0.20678817	305.17078	13128	15117	10141	10104	10730	13905	4021	15765	10356	3917	2405	6292	18010	6112	8135	9946	7898	19583	15131	3865	2988	13484	8019	16419	8234	0	2212	5285	18283	9317	17850	15610	24928	13931	5156	11293	21246	5824	8966	1315	0	11846	0	0	0	4739	1685	0	15346	10283	14000	13515	12709	0	11107	5945	5406	20473	2602	1340	10023	478	15376	9087	5290	24956	15774	10642	0	836	0	17247	13345	14724	3473	9959	0	6561	6171	0	4068	0	1117	0	6022	6966	6985	12612	12378	13964	30315	27484	29062	2452	1815	0	11699	10569	5404	5476	6862	14798	6277	4558	1900	16284	8355	0	5103	24624	Peptide	0.46153846	1.8461539	0.15384616
20	C13 H24 O6 N2	305.17072	305.17126	0.50779724	305.17087	2074832	2136114	2069209	1816915	1614169	1371328	1725069	1932993	1402720	3014244	2052780	1310670	1664876	1591520	1598813	2344398	2337966	1840313	2160743	3912447	3981397	1932467	1364673	1984898	1360943	3936851	1927513	1982692	2037769	1889667	1442485	1991877	2317279	1938970	2940691	2005109	2343172	1289957	2294403	2293191	2517602	1575260	65605	26118	17348	1441675	1576135	29506	2133038	1603643	2043454	2009979	1478231	29950	1582740	1537395	1158448	2237261	1344782	1591331	2020774	1483467	1572760	1387452	1117846	1754121	1548189	2435330	2957560	3838369	4367575	1570082	1819872	1869020	2483518	1966086	14649	1255776	1719416	1688222	1295336	964213	1913527	2030396	1488873	1235200	2034060	1627708	1604851	2481185	2369053	2201787	2297388	1636206	2030566	33196	2040534	2161814	1362939	1760371	2060890	2607761	1287279	2249669	1072969	1782414	1323930	26728	1516374	1584034	Peptide	0.46153846	1.8461539	0.15384616
16	C18 H24 O4	305.17474	305.17517	0.10584633	305.17477	904024	989856	888108	921583	665284	527272	1068473	1056775	545054	691902	611600	753553	533855	500387	791151	1335934	1934958	679060	927348	968824	948027	885102	753772	1048244	743951	1283296	1130728	536296	991694	1012377	941080	1171835	1147922	807537	731644	1160358	1044653	736895	1912591	681241	920451	721413	32230	18319	17009	594811	715909	19890	1223162	1054838	957768	929183	699677	18579	562473	609224	554701	1311218	534401	946882	1121481	448127	591154	496704	474925	663577	731913	1785225	1036426	1249966	1561318	768618	914405	1102801	1613526	1137617	13151	660080	1044110	684377	782579	541048	1017833	754965	762018	578265	1204802	730096	800857	1869322	895218	849518	1245528	590945	786554	20663	942353	954128	538256	827711	968944	1283733	611944	891950	317807	1041598	620804	17985	977348	557172	Lipid	0.22222222	1.3333334	0.0
12	C18 H24 O4	305.17474	305.17517	0.095136024	305.17477	460930	496916	441672	460660	158430	143432	455228	378886	162052	210256	229208	264180	114082	127864	265578	865136	571040	169520	238608	297676	228556	431746	263296	526170	310963	512416	752242	168226	347510	528236	316542	564712	359324	263366	231380	435180	351818	280173	635024	230078	358662	225898	24512	22560	21686	299448	376280	27696	561206	490914	476468	495052	186566	17944	204766	193430	191714	570296	246050	331980	646474	153550	174206	142570	148952	172152	182952	603108	205634	534448	318972	219450	302826	455158	1033686	530624	15378	251186	379106	162346	321758	242304	341850	193162	226796	185192	439668	164652	206140	688284	426310	369422	478980	195666	381204	27522	479624	439768	191396	258834	282446	583486	268492	453512	201694	354224	192976	20426	350640	150030	Lipid	0.22222222	1.3333334	0.0
22	C18 H24 O4	305.17474	305.1751	0.1187327	305.17477	1526478	1560474	1333388	1544115	1339530	1196619	1259600	1477515	1188150	2092949	1464501	1004571	1199337	1145744	1223096	1727087	1544076	1737903	1485559	2620338	2570266	1627273	1173410	1493319	1219954	2206484	1311376	1468475	1665030	1464552	1316383	1670837	1853401	1596201	2014737	1715720	1891961	1085694	1556884	1598334	1613954	1143678	75597	38519	28047	1125071	1121129	40554	1693692	1315147	1505507	1454543	1198479	37705	1456844	1302989	1002513	1770571	1086518	999278	1650373	1132741	1282508	1155810	781403	1522903	1344438	1545603	1699418	2675100	2543545	1291401	1228942	1330218	1259543	1515589	27161	971386	1299897	1186639	1023650	837834	1257046	1321069	1200805	1014241	1546423	1271207	1283685	1647409	1901380	1874332	1697642	1296214	1892121	45963	1380297	1585760	1178428	1553767	1523361	2039128	999235	1576906	899701	1430063	1093389	35396	1179310	1366739	Lipid	0.22222222	1.3333334	0.0
26	C18 H24 O4	305.17474	305.1751	0.09434602	305.17477	166341	170858	150929	161633	181889	132963	129170	175025	153230	140839	122586	123286	229325	165006	170563	196861	146269	222539	284049	210015	188634	157049	128428	166276	136508	145520	122977	149671	202234	183367	176043	200245	233429	151649	179204	205658	244978	132855	159955	137172	129988	153521	23178	18424	28727	109659	76386	20574	208106	144241	168249	161595	155072	21874	252525	164808	117728	225150	121795	78284	198554	90130	180363	175350	92727	202661	173247	173155	125686	176674	190387	153695	159718	194854	135236	197203	14653	130715	157282	173903	120638	89632	132576	119999	170745	131460	194088	127709	151862	171997	225212	192055	221738	196034	147118	20723	167483	190648	133252	204462	210737	254853	131194	172217	95146	151717	131269	22218	129393	195907	Lipid	0.22222222	1.3333334	0.0
10	C18 H24 O4	305.17474	305.1752	0.124732554	305.17477	67675	54670	45773	52627	26824	30452	67583	78747	31717	39654	35524	51754	25543	31732	62749	97915	89396	34577	38597	50448	45759	68017	55589	80786	61510	42126	78334	31929	62538	75109	58369	67293	66208	44335	46990	77574	51506	55477	98024	44805	46878	41141	13883	11287	12432	61381	58385	15025	61170	67760	56426	61140	29555	10775	45585	39420	32841	87473	52598	58975	74413	30632	27486	28704	26670	33918	30669	104475	43251	46866	54953	46449	47024	75280	112510	73272	10062	44748	74034	38464	65652	49050	67985	30209	44001	34355	75297	27062	41891	112096	55819	56646	76638	40379	61023	12549	55160	58711	38671	50623	56700	68145	55716	60847	46484	52074	37256	11322	64480	25102	Lipid	0.22222222	1.3333334	0.0
24	C18 H24 O4	305.17474	305.17505	-0.027438857	305.1747	743859	751447	697581	745773	759247	598428	528540	660805	617281	877111	643079	429181	901213	630991	587983	808367	585406	939014	1065118	1141674	1049286	1093870	537662	697343	562494	768853	477014	659953	743395	685733	554961	809002	928183	715284	959025	814378	1007684	466159	618372	690125	566500	552007	45983	20722	34671	519791	395388	26083	810714	581935	711882	682897	632080	36176	937503	697752	418154	868449	551467	372637	828742	489041	702008	648175	352056	865736	711112	599544	655786	933664	862731	640501	677983	629629	558952	675069	28786	464643	606147	967431	481268	378828	522799	559632	648298	476358	667269	566933	646331	590632	933417	934215	834319	1401751	1530812	29253	704743	773106	548456	683495	736357	967384	421143	758273	407081	667163	507210	25440	509335	713123	Lipid	0.22222222	1.3333334	0.0
14	C18 H24 O4	305.17474	305.17517	0.090546004	305.17477	453589	479805	435228	434973	240115	194242	548792	464286	233358	257198	263032	408825	204877	190956	345371	589014	835447	284215	317940	379942	363316	419259	353710	457270	376300	426005	614593	241909	433256	474472	410053	530385	523491	348369	307157	477331	467494	368627	872197	303248	431372	309426	25329	12084	11688	291627	385233	14901	542994	443658	452357	429606	273260	11733	271760	257063	262172	624880	296901	515938	443972	191760	263977	239063	235626	253251	281409	872984	335401	392370	515698	309450	361157	449672	647427	523201	9326	316428	518336	312802	427907	271228	527185	333739	325927	246030	636742	284741	346925	972508	421138	403900	612814	249688	345097	16488	437200	433347	238299	391677	413122	507026	366682	479473	195695	478592	244049	11432	516039	190871	Lipid	0.22222222	1.3333334	0.0
20	C14 H25 N4 S1 Na1	305.17703	305.1775	-0.003356372	305.17703	2074832	2138835	2069209	1818446	1614169	1371328	1725069	1932993	1402720	3014244	2057556	1312442	1664876	1591520	1598813	2344398	2340760	1845705	2160743	3912447	3981397	1934669	1364673	1984898	1360943	3936851	1927513	1982692	2039683	1889667	1442485	1991877	2317279	1942113	2940691	2006520	2343172	1289957	2294403	2295569	2525043	1575260	65605	26118	17348	1441675	1580471	29506	2133038	1603643	2047818	2009979	1478231	29950	1584723	1537395	1158448	2239228	1344782	1591331	2023724	1486201	1577096	1389014	1119467	1756118	1548189	2437754	2957560	3838369	4367575	1570082	1819872	1869020	2483518	1966086	14649	1259440	1719416	1688222	1295336	964213	1913527	2030396	1488873	1235200	2034060	1627708	1604851	2485005	2369053	2203511	2297388	1636206	2030566	33196	2040534	2166045	1362939	1760371	2060890	2607761	1287279	2251243	1072969	1782414	1323930	26728	1519821	1584034	Organosulfur	0.0	1.7857143	0.2857143
4	C17 H24 O3 N2	305.18597	305.18655	0.14237416	305.186	25759	28153	27512	26318	6874	9551	20745	40558	5766	43490	19235	20473	5531	5599	25599	43646	36646	13522	16085	50208	56790	39763	24004	47522	24421	30823	24916	17496	35227	29469	29216	34302	40315	29580	54869	34071	36297	20572	37827	43077	35465	11930	0	0	0	24972	30280	0	40559	37396	27945	24056	9940	0	9295	2495	8117	38680	1797	3129	39388	24782	7303	7541	4542	10929	12842	45788	22011	44485	40621	28526	31238	35286	40806	29830	0	21496	30300	23525	28323	6630	8552	30085	3355	7619	27380	14036	13284	57740	43337	20870	61044	29510	57486	0	27801	30923	4786	2750	2898	33207	17975	41914	13958	32681	4341	0	28421	6730	Lipid	0.1764706	1.4117647	0.11764706
8	C17 H24 O3 N2	305.18597	305.18646	0.11874918	305.186	30443	38749	27367	30488	12465	14158	18993	34944	8733	46946	30237	15081	8344	7226	20718	46274	29694	16439	20347	68886	63570	39873	21938	47622	30090	34072	25957	25419	34585	25806	33328	42590	38548	29045	65863	27017	47843	18674	35139	47541	27699	15131	0	0	0	31271	27827	0	37307	26338	30179	32870	13941	0	10721	2304	9733	44496	0	6334	40527	19571	7925	9000	8101	12672	19519	40951	23452	58967	51922	29314	29982	24139	30494	28558	0	18803	24955	31380	21583	4513	4055	31911	4572	6831	25728	18741	19981	83763	51837	11637	85482	30329	51615	0	33312	28455	7191	3742	8160	39756	15631	29808	8369	41940	5508	0	28607	9565	Lipid	0.1764706	1.4117647	0.11764706
14	C17 H24 O3 N2	305.18597	305.1864	0.13753021	305.186	30248	21537	21178	26550	2843	4143	9488	13132	3183	15081	8570	10354	1334	2322	10719	25629	16633	1692	5192	16664	19332	16905	9872	27427	26566	15042	12605	23295	8292	14949	16575	14549	14086	20765	16740	14244	13572	9986	18616	18868	23082	6994	0	0	0	13525	15593	0	23347	10337	18569	19588	6711	0	0	1933	3316	26388	0	9431	19749	7021	2870	0	2618	4328	5069	23400	0	16785	20283	15632	14166	16645	16446	11523	0	9863	16065	205436	10656	5294	10005	12795	2187	0	164090	8665	7803	38402	1010608	74670	40762	30960	19236	0	20718	20943	1171	1998	1101	14553	8983	13007	0	24306	1647	0	33355	2798	Lipid	0.1764706	1.4117647	0.11764706
6	C17 H24 O3 N2	305.18597	305.1865	0.131878	305.186	30109	35688	30470	31474	9721	13893	19631	45356	8048	65846	29278	18846	8442	8741	24754	45703	29616	14559	20039	78295	76076	45239	20871	53081	30495	49074	24714	31964	37556	32349	35233	42399	47005	33877	65013	38733	45487	19926	37798	43248	31964	13214	0	0	0	30978	32157	0	47346	35082	35160	32141	15242	0	10125	3640	8874	49220	1298	6713	45047	26291	7311	8884	8748	11722	19040	43869	43142	70614	74203	32821	30816	38057	32271	31739	0	21053	22546	28061	20758	5873	6850	37232	4785	9922	30360	17067	18279	64975	58979	19825	73207	34728	65607	0	33032	30219	5925	3315	4629	44283	17507	36056	8836	37556	5020	0	27278	8650	Lipid	0.1764706	1.4117647	0.11764706
16	C17 H24 O3 N2	305.18597	305.18637	0.117207915	305.186	8096	10596	8424	8333	2135	1882	6096	9063	1426	8507	7526	4241	0	2223	3872	11328	13669	1749	2487	12086	13964	10540	3648	9391	7540	12794	4797	6367	7608	6117	6677	8850	11538	10395	11201	9082	9073	2207	12945	8742	20879	3448	0	0	0	7983	9091	0	11399	4391	5483	10183	3125	0	0	0	2082	11480	2459	10774	7294	6827	0	1618	2139	2577	4054	14560	9346	15007	13754	6300	6566	7047	10160	9367	0	3618	6301	9360	4419	3375	7014	14959	0	0	18256	5448	2386	0	36284	16406	0	8035	13793	0	6861	8812	1280	0	0	7903	6215	5860	3456	11559	1007	0	8324	0	Lipid	0.1764706	1.4117647	0.11764706
2	C17 H24 O3 N2	305.18597	305.18658	0.15276745	305.186	18320	20137	17407	16594	3776	0	14308	31872	2393	24725	13296	14376	1181	2845	19190	27984	25242	5171	7410	33225	32746	24151	13481	31306	16534	17440	14734	12159	26977	24419	22159	25623	23574	23124	27690	27596	23471	14435	26196	30865	27789	9584	0	0	0	14788	19328	0	26964	24369	18298	16798	5255	0	3814	980	3548	24502	3106	4709	26727	18470	1798	3712	3933	4828	7899	35320	12839	19785	22856	21732	23635	28163	30559	24848	0	16330	16052	15415	16057	7199	7965	21808	1904	4102	13722	7870	7954	41360	22761	16800	46622	18159	28898	0	21635	20904	2091	715	1150	24861	13933	28596	9413	24231	1729	0	16363	2167	Lipid	0.1764706	1.4117647	0.11764706
18	C17 H24 O3 N2	305.18597	305.18634	0.009020959	305.18597	8152	6114	7227	5995	1419	3012	4591	8369	1820	4646	4147	4066	0	1983	4706	10143	11121	0	3047	4267	5258	11562	5487	10317	7444	6448	3958	2445	3337	4892	6685	6289	7057	4864	0	5416	6367	4434	11077	7745	12387	3211	0	0	0	7027	8030	0	7129	4949	6931	6952	3176	0	0	1652	1922	6846	2047	8607	10841	2052	0	1289	1326	2595	1802	10933	5836	8211	11333	6968	2504	2348	7022	6564	0	4605	5537	28162	4836	4031	2298	4379	0	1634	10608	4077	2100	32922	130313	39026	26162	7862	12452	0	6643	9504	0	0	0	6518	5300	9613	0	6860	1421	0	9052	0	Lipid	0.1764706	1.4117647	0.11764706
12	C17 H24 O3 N2	305.18597	305.18643	0.14122407	305.186	13456	12737	11529	10106	6529	5396	8033	16977	3062	14285	10237	10854	1609	4502	11198	21552	12798	4401	4903	21578	24633	12455	11307	19630	11858	22928	13083	11484	16990	8351	11206	13505	12553	14067	19968	11798	17530	11877	19526	15425	19207	5442	0	0	0	11973	14566	0	16977	12119	14138	12126	5551	0	2786	892	3102	16391	0	0	0	5026	3825	2529	3130	4160	5328	22067	0	29200	34375	15082	9646	10099	14748	13576	0	11754	7158	0	8625	5296	3654	13157	2305	2726	12441	8741	6837	32808	24826	6775	30138	9638	18112	0	11736	8223	2370	2121	2928	18689	9328	13168	0	20341	2655	0	9943	3152	Lipid	0.1764706	1.4117647	0.11764706
10	C17 H24 O3 N2	305.18597	305.18643	0.1526302	305.186	20673	18767	20462	17122	6451	9515	17178	21273	4841	32004	15745	10538	5071	5519	11178	25879	18791	6018	12440	33460	37801	23005	11452	24248	12946	26972	17708	18737	19467	16693	14930	19277	20908	25148	40952	20668	23621	13731	17277	27922	21936	7377	0	0	0	14179	17243	0	26842	14208	22288	17943	8514	0	3739	3606	4333	30418	2480	6502	26476	10495	3012	5126	4900	9041	8394	23583	17239	32763	35059	19946	16161	13562	23311	19837	0	11256	15378	17377	12017	5043	2539	17312	3915	4631	19995	11666	11283	42708	36547	8847	38654	16336	39212	0	20805	16540	2779	2643	2704	24317	11432	18494	0	20617	4495	0	16523	4648	Lipid	0.1764706	1.4117647	0.11764706
22	C15 H28 O6	305.19586	305.19644	0.2955052	305.19595	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	407	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1198	0	0	0	0	0	0	0	0	0	403	0	0	5115	0	0	0	0	0	0	0	0	0	0	22092	15903	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.4	1.8666667	0.0
14	C19 H28 O3	305.21112	305.21155	0.18724665	305.21118	4553	4389	3797	4146	3140	1781	8930	4111	2369	0	2612	3883	1891	3991	3780	6629	12932	1596	2811	0	2476	0	3137	3155	7072	2613	10691	0	4092	3500	2616	0	4785	2286	0	7684	3498	3706	14122	0	0	1437	0	556	669	3512	4817	1104	4073	4067	3986	4904	3335	591	0	4873	3949	5289	0	0	0	2181	1688	3440	4832	1460	2853	15592	0	0	0	1385	4627	5196	10660	5308	635	2506	6489	0	6422	1154	3261	2538	5527	4989	12237	1895	3332	24168	3378	4778	9225	0	2156	969	5866	3944	7178	7920	10229	5099	4368	0	0	4848	3921	843	7538	1934	Lipid	0.15789473	1.4736842	0.0
20	C19 H28 O3	305.21112	305.2115	0.10917325	305.21115	177560	184434	193921	162740	138811	104691	331989	176529	103215	139312	138739	133484	101187	177997	124153	247197	377808	113774	162044	149884	158427	121110	92880	150047	136741	269003	362255	149507	193468	189183	140012	211369	185534	134968	129228	217441	172988	125941	359023	110902	168149	148658	10075	2540	1658	97480	126786	3725	183208	174862	183926	181153	134409	5142	129416	154416	151142	216261	72394	151340	195766	64509	122931	93247	218158	142043	156677	370709	157357	201598	246780	104480	140175	211453	382192	198730	1798	99426	190438	193801	104475	80856	283107	268253	213940	364654	268055	135794	140921	426213	303681	382766	204346	116586	139913	4137	174422	198626	184042	240480	413377	209624	115813	142180	78519	170324	238815	2615	170483	99037	Lipid	0.15789473	1.4736842	0.0
18	C19 H28 O3	305.21112	305.21152	0.111367464	305.21115	56871	69277	56674	51422	41961	34512	98915	76723	28040	28459	29691	46866	25924	46105	45236	85036	146408	34140	59698	32844	29786	39410	38307	53887	50343	53113	112067	39382	58762	68246	52891	72609	56783	54959	23590	71504	56531	48933	131644	27720	33460	38280	3225	3823	3589	38350	32615	4757	72511	62910	58897	63794	37147	3118	42483	45141	47529	91849	21267	43144	66446	12356	40132	32986	55746	40143	56515	151230	32282	43279	53170	38312	44583	69543	142818	59938	2898	26634	68327	55863	45482	31499	81217	68065	66497	108262	109260	40772	43237	176134	100843	110682	78296	29805	40816	3883	64433	50681	55571	79442	126107	69850	36086	45294	16646	65084	60070	4462	68739	23118	Lipid	0.15789473	1.4736842	0.0
16	C19 H28 O3	305.21112	305.21155	0.14897905	305.21118	14316	19816	15250	17824	12493	9302	30300	16939	12099	4661	7982	10881	7235	16331	15916	20331	46630	6640	11993	2998	4822	9302	10104	15380	13475	11088	24764	7589	14785	18352	13592	17069	19001	12228	3670	14784	10647	13285	47843	5787	9813	12144	1469	716	783	4919	5401	1598	19463	15164	13661	18940	9384	910	11200	10891	13236	29091	5971	12837	21534	2141	12948	6608	10685	7351	13701	45527	6002	4871	12463	6040	12331	16412	34506	16267	525	9320	17117	12884	12472	9630	22584	15513	17903	16770	29301	7751	12071	65195	13772	15422	0	6028	7758	1087	13697	14570	14225	25319	34064	18060	10221	11316	0	20152	18873	913	24529	5369	Lipid	0.15789473	1.4736842	0.0
26	C19 H28 O3	305.21112	305.2115	0.10005694	305.21115	319325	304589	305350	317277	337597	203888	339513	264734	259568	323625	524328	160989	312459	327223	349355	338150	350445	243642	386168	515355	468737	290819	157954	222942	300173	464098	328618	688886	324571	302994	228597	307072	360209	233904	463285	385653	311068	332415	400630	323140	339250	625319	15601	9278	0	227706	238176	14065	294070	226161	338956	317398	282970	20695	298515	350140	245056	411333	236271	189695	330479	225274	228603	220915	206540	393209	433250	420155	415629	360136	377044	173926	235275	337990	232025	308226	13758	196286	251407	512464	148769	281021	298932	317615	315721	296765	468314	242179	261112	439243	695749	709686	311553	348202	334768	13780	314803	363867	335127	465014	541990	416877	158546	328085	308172	212354	304993	11324	308614	191457	Lipid	0.15789473	1.4736842	0.0
0	C13 H28 O4 N4	305.21832	305.21872	0.070181265	305.21835	0	1669	1767	0	0	0	0	0	0	0	0	0	0	0	0	0	813	0	0	0	0	4172	6870	2004	0	0	0	607	0	0	0	0	2946	2510	0	0	1648	872	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1513	0	0	0	0	0	0	0	0	0	0	7693	0	18002	709	0	0	0	0	7374	0	0	9532	0	0	30153	0	0	0	0	0	0	0	0	0	0	0	0	7161	0	0	3386	0	Peptide	0.30769232	2.1538463	0.30769232
2	C13 H28 O4 N4	305.21832	305.21887	0.15744506	305.21838	1215	2498	1470	1242	0	0	0	0	0	0	0	0	0	0	0	1792	0	0	0	0	0	12566	13673	21732	1468	0	0	0	0	0	0	1402	781	995	0	952	0	311	0	0	0	0	0	0	0	2169	203	0	0	0	2202	1358	0	0	0	0	0	2973	0	0	2645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5505	0	30124	0	0	0	0	0	1244	0	0	21328	0	0	44011	0	0	0	2132	890	0	0	0	2130	0	0	265	23648	0	0	1211	0	Peptide	0.30769232	2.1538463	0.30769232
22	C20 H32 O2	305.2475	305.24786	0.088507675	305.24753	20664	18361	17739	20264	2335	4997	93836	28210	2127	1748	6433	10933	0	20582	15890	45683	53362	0	3157	0	0	23711	23851	20399	46834	8179	102426	10906	18980	15672	12617	21778	10637	10743	2533	24377	10219	26368	52958	1316	9082	6414	0	0	0	7411	18711	0	10503	20515	22328	18094	5894	540	2149	7073	8771	43344	3304	17277	40722	2620	6398	2138	16666	7275	17059	55384	4724	5047	5386	5150	8317	16662	71140	17733	0	8093	45416	41858	25034	14322	38577	37984	5825	10458	77971	9169	10643	251199	53213	38460	55261	17871	19658	0	16853	19840	7209	6484	6187	16204	10017	8164	9857	26873	5530	0	49638	1980	Lipid	0.1	1.6	0.0
20	C20 H32 O2	305.2475	305.24783	0.19861396	305.24756	0	3482	3015	2692	0	1546	12756	4223	0	0	0	1468	0	2188	3228	10993	11824	0	0	0	0	6607	3916	1964	8156	0	16830	1847	0	0	0	2359	0	1908	0	3031	0	2799	10010	0	0	1052	0	0	0	0	0	0	0	4722	1494	2307	0	0	0	0	0	6033	0	0	3371	0	0	0	0	0	0	8671	0	0	0	0	0	2362	10831	2185	0	1513	10321	5500	3634	2586	6666	0	0	0	22245	0	1217	47960	5899	7855	12800	2571	2161	0	3363	3374	0	1531	0	1770	1705	0	0	5930	1695	0	10021	0	Lipid	0.1	1.6	0.0
24	C20 H32 O2	305.2475	305.24783	0.06865757	305.24753	68321	78701	76399	72039	27376	25894	633518	114742	15950	17147	44290	35319	11914	176243	62028	179409	154495	16031	32213	21053	14993	57556	67928	102411	100347	78982	609972	85242	69055	92458	48954	71472	42760	44096	13299	83101	35709	64662	148729	18948	58888	33665	11392	0	0	40185	57299	0	54781	156737	76415	76101	30819	0	22154	38485	41338	142934	28581	74269	165934	21602	67626	16203	111861	37580	84906	140393	28872	27049	45825	37844	35268	58630	138859	82227	0	38204	129828	157394	70981	67441	149648	158664	23007	36283	281522	27888	43530	646000	170176	128427	170121	58464	59128	1875	77990	91270	43546	27169	28728	59255	34924	58272	37458	86619	27854	0	137288	19774	Lipid	0.1	1.6	0.0
26	C20 H32 O2	305.2475	305.2479	0.08279008	305.24753	100836	94642	100548	94140	47234	35531	645137	137365	38539	29267	100174	51021	38515	198257	73889	206667	149547	26099	53196	42054	32241	86220	81236	188444	144716	128285	684716	185038	108590	129814	73057	109094	74796	70550	39228	135467	71947	93549	153169	41348	105618	65351	17619	8525	12274	75071	73484	8844	96365	123700	105901	98344	46264	17919	40014	62843	67802	198765	52888	100658	216005	40815	68947	31666	151978	62031	116837	159589	70996	56560	69561	48485	60757	111351	139995	115945	16519	57664	140111	221754	89187	108970	151010	133781	48610	61042	319568	49154	61643	413851	204174	146771	207749	87422	69502	9632	97120	118800	61996	64451	71487	106902	53610	92738	100668	115373	53228	7568	185283	29549	Lipid	0.1	1.6	0.0
26	C17 H36 O4	305.26865	305.2689	-0.03341278	305.26862	7775	7944	9303	8211	59568	98838	3351	0	0	2799	0	0	23038	167256	0	0	5629	5314	83117	0	0	2938	0	0	0	17860	6586	19560	6449	0	0	8427	5978	0	2156	0	7702	0	5978	2419	5127	87454	0	0	0	0	0	0	2616	0	9172	7583	17285	0	17995	0	0	0	2951	5254	0	0	0	2273	3510	34549	349520	7883	0	2272	3753	0	0	0	0	0	0	0	0	21110	0	5888	2794	3188	5279	8446	0	19219	94588	3975	3790	3094	0	2693	0	0	9675	9798	2729	2154	5207	4670	0	0	6389	3093	6233	0	0	0	Lipid	0.23529412	2.1176472	0.0
26	C21 H36 O1	305.2839	305.28412	0.04031177	305.2839	2572	2086	3750	2895	0	0	94591	0	0	0	9304	0	0	37176	0	0	0	0	0	0	0	0	0	0	0	12528	94330	8320	0	0	0	0	0	0	0	0	0	0	4008	0	5957	0	0	0	0	0	0	0	0	0	0	2928	0	0	0	7148	3826	0	0	6810	5712	3546	4855	0	61594	0	3468	2163	11016	1532	3215	0	0	0	0	0	0	0	0	23687	0	9888	7381	14457	0	0	2320	0	0	1390	2169	1402	0	5011	0	0	4022	0	7798	0	0	0	0	5872	0	0	0	0	0	1830	Lipid	0.04761905	1.7142857	0.0
16	C14 H11 O5 N1 S1	306.04306	306.04352	0.27789223	306.04315	0	4120	3417	3095	3665	2476	0	0	0	5540	6433	0	2569	1384	0	0	1671	4706	2920	0	2298	6769	1298	0	0	2548	0	2776	0	0	0	0	0	0	5452	0	2064	0	3516	3348	9620	0	0	0	0	2222	3556	0	0	0	2846	1788	1646	0	1806	1069	845	2100	0	3670	0	3051	0	0	0	2154	2748	3251	0	2709	7360	0	0	0	0	0	0	0	2486	9871	0	3308	1978	2779	1489	0	2912	2455	1997	0	0	3341	0	10556	20273	0	2760	0	1881	1058	1515	0	0	1596	0	0	1207	0	1770	0	Organosulfur	0.35714287	0.78571427	0.071428575
20	C14 H11 O5 N1 S1	306.04306	306.0434	0.08446947	306.0431	2103	4306	4112	3585	5164	1906	0	0	82770	0	0	0	0	0	0	0	1563	4042	6216	0	0	7822	0	0	0	0	0	1430	0	0	0	0	2151	0	0	0	1849	0	1968	1643	7101	0	0	0	0	0	3290	0	0	0	1879	3322	2261	0	11510	0	0	0	1184	1334	1406	1870	29601	10139	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1352	7747	0	2101	1342	0	13528	3141	1759	1398	0	3721	2564	1738	2455	10072	6479	0	2631	3372	4324	0	0	0	0	1323	0	0	3523	0	0	70483	Organosulfur	0.35714287	0.78571427	0.071428575
16	C14 H11 O7 N1	306.06082	306.06128	0.26192513	306.0609	15376	19458	17640	18002	41815	22569	6647	6701	25175	22573	13948	9001	56891	15108	10631	15702	11040	51994	45554	7402	18210	52489	16043	15000	4142	2246	12131	6293	7729	5776	9159	6374	17473	7265	30672	6323	16911	11708	16973	17821	30036	12942	1487	583	591	6955	13387	1100	10140	5119	21814	16545	27354	505	28783	23673	17555	16928	8138	11894	15510	9666	49318	32364	10789	47200	20000	14321	4735	3558	8595	8773	5492	1818	4903	5047	593	8719	21864	40705	15630	8092	8533	4395	38819	15441	27315	20733	20364	28504	9468	25822	0	42859	42242	795	19189	14234	17383	34962	30864	20838	6072	10352	5635	16445	20066	640	11310	60669	Phytochemical	0.5	0.78571427	0.071428575
8	C14 H11 O7 N1	306.06082	306.06137	0.30625474	306.0609	7950	8737	4854	8463	14651	7860	2684	2285	14943	6592	10067	5042	29108	5134	3234	4688	5697	15369	18540	5241	9330	17512	6308	3900	1462	529	1846	1705	2159	2655	1947	2272	6717	2416	11300	1786	5384	3840	5651	4183	9705	7376	0	0	0	3883	7224	0	2594	2075	6843	10108	8604	0	18286	15682	7851	5745	2562	3283	4617	3338	29704	23376	4935	21314	5360	6097	0	2805	4119	2168	2859	881	2732	1589	0	1942	5650	0	4940	3238	1512	938	17600	5327	5256	8887	10319	10944	0	0	11829	11200	8020	0	6159	7023	11862	22894	17461	6228	3933	3147	0	6081	13759	0	2451	33270	Phytochemical	0.5	0.78571427	0.071428575
18	C14 H11 O7 N1	306.06082	306.06125	0.22494201	306.06088	17766	9093	12293	15910	19381	14637	5642	5927	18168	13962	8463	6338	39856	13400	5336	8839	11731	26416	29057	3778	7149	25717	8238	11170	3884	0	7727	3339	6052	6344	4890	4548	12777	9104	10647	3688	14787	7266	10743	7153	24085	12047	711	531	979	6654	8092	1176	8539	3485	11608	13128	19520	620	18142	12444	11564	10715	4434	8165	10405	8302	30436	20864	9171	30959	13682	16356	2804	0	6904	4391	2065	0	5952	0	505	8297	18629	22732	12677	6225	4845	2756	19082	11732	20175	13243	16745	19138	6655	10362	18906	30146	23062	601	10435	10539	13303	20986	20213	12735	5609	4441	3979	14285	14444	814	7881	34308	Phytochemical	0.5	0.78571427	0.071428575
20	C14 H11 O7 N1	306.06082	306.06128	0.26824957	306.0609	8327	11592	8752	7639	7463	8601	8794	3140	11362	5147	3827	9928	21389	5937	6898	5798	14134	20097	18587	2656	4904	15286	12814	5588	5110	0	7558	0	6308	3717	4100	8536	11893	5175	6998	5697	10442	5950	16098	1852	10509	8808	1262	0	849	1748	5531	2061	6757	2984	8964	7716	10488	681	10101	6399	7896	5728	2231	3070	5917	2406	14903	14737	5922	12993	7790	13011	0	0	4055	4158	3891	2796	6196	3452	850	4972	10437	11746	8378	1475	0	0	9716	6211	12731	15692	10191	11040	7799	10477	13079	23691	11700	1328	10811	7016	4258	10745	10444	9467	6744	4228	1810	11487	5083	721	7394	27009	Phytochemical	0.5	0.78571427	0.071428575
12	C14 H11 O7 N1	306.06082	306.06134	0.2604456	306.0609	30389	26176	25070	32160	43922	20335	12865	12785	46644	28088	19293	11984	68004	17151	12893	20499	20581	54139	58795	16841	29559	62752	19833	20575	5992	3790	10703	0	11390	9082	9660	13109	28611	8078	37130	11415	19905	14396	25454	25454	47320	27860	569	319	0	13210	23223	398	13720	8289	30928	23618	33121	245	47155	32332	20638	23839	7399	14664	20470	19831	76217	49502	18826	56486	25486	22725	0	5733	16745	9503	7161	1301	12292	8947	311	10678	32236	30693	20131	14039	6173	6956	40178	17911	29658	26985	29120	51079	15622	27938	45447	48082	37352	0	26487	22556	25033	44854	35876	23502	12422	10539	0	27250	25750	0	10950	80069	Phytochemical	0.5	0.78571427	0.071428575
10	C11 H15 O9 N1	306.08197	306.0825	0.32200444	306.08206	4460	6167	4375	3237	10858	6522	7791	3431	9169	0	2519	6822	19707	3499	1575	5961	23312	11808	9732	0	0	0	1669	2372	1076	0	8323	0	4607	5854	5484	7189	16024	7812	0	5531	8981	1559	19846	0	0	8956	0	0	300	0	0	0	7802	2803	5465	4667	5017	0	10445	11962	2198	2944	0	0	0	0	16971	14131	3560	10941	4230	19441	0	0	0	5144	8464	7327	16084	8599	0	4230	0	0	1425	637	0	0	10369	2505	963	8401	8822	0	0	0	0	0	0	0	4826	6467	7510	11695	9008	14449	4091	0	0	11609	8586	0	1400	17384	Unclassified	0.8181818	1.3636364	0.09090909
10	C6 H16 O4 N7 S1 Na1	306.0955	306.09564	-0.26705763	306.0954	1549	1076	1851	1610	1906	1920	1509	0	1272	2432	1670	1044	1023	0	1032	1653	1798	0	1813	0	2365	2495	1015	0	0	0	0	0	0	0	1413	2071	1232	1716	1559	1336	0	0	2116	4042	2357	1335	0	0	0	0	0	0	0	0	1606	1637	1950	0	1889	858	1638	1812	4410	2437	0	2679	1350	1391	0	0	3108	0	0	0	0	0	1486	0	20970	0	0	1644	1061	0	1511	1454	1524	1898	0	1320	952	0	0	0	0	2088	0	3344	0	0	1949	0	0	1375	0	1541	1048	0	0	2773	2523	0	0	2282	Organosulfur	0.6666667	2.6666667	1.1666666
8	C6 H16 O4 N7 S1 Na1	306.0955	306.09564	-0.27643818	306.0954	1632	1169	2274	1824	1708	1404	1591	1189	2161	4381	2249	1308	1762	0	1131	0	937	2217	952	0	0	2605	768	0	767	1015	1248	0	0	880	904	1035	0	1466	1286	907	1559	1345	1631	3403	2410	1244	0	0	0	0	0	0	0	0	1360	2582	2216	0	2305	1412	1543	1583	3153	2424	0	5965	1004	3013	0	1227	1681	1605	0	2327	0	0	1643	1264	54198	1089	0	1473	1564	0	0	0	1595	2434	2336	0	1051	1399	1360	2250	0	0	1557	1789	1761	0	1529	2062	1433	2648	0	2046	0	0	0	0	0	0	935	2458	Organosulfur	0.6666667	2.6666667	1.1666666
22	C15 H15 O6 N1	306.0972	306.09763	0.21513316	306.0973	11325	10584	9328	8535	9682	10438	4895	7423	8241	12241	8902	5950	10387	8907	6941	5848	6781	10558	9302	6110	8404	18080	9230	8673	6907	4099	4895	9639	6847	3369	5746	6169	11091	6051	10694	6420	10286	6119	7656	12491	16416	8588	0	0	2748	8195	6543	0	6248	8294	11528	10788	10151	2559	10054	9218	7583	6807	6176	5497	9098	6612	14282	10800	3772	11692	9414	6975	6044	4656	4933	5875	5578	5270	4874	5455	2628	4656	6535	16356	5445	5886	5461	5466	13269	9530	12733	11171	12619	12722	8328	12217	10708	15611	21566	0	9049	7182	8911	12464	10043	12098	7221	8315	6007	10189	7176	0	9618	18257	Phytochemical	0.4	1.0	0.06666667
24	C15 H15 O6 N1	306.0972	306.09756	0.18659253	306.09726	6704	7878	6641	4499	4800	6551	3536	3617	7430	5866	2487	5017	6654	6148	6882	5981	4580	8931	6620	2131	4742	19555	7950	10991	6846	1714	1399	4095	3981	4908	5105	3994	7656	5175	8168	3967	5784	5906	3694	6050	5981	4023	2164	0	0	5078	6383	1897	5936	4996	5073	6240	7175	0	5962	4033	5009	10156	4515	3435	7690	4105	6285	6437	4025	9560	4837	6950	3027	1713	2611	5573	4019	3014	4002	4337	0	5096	11606	19773	9863	4328	4090	1666	4739	3767	11147	7829	7227	5970	20426	17987	11751	25274	28056	2483	5721	8451	2484	3826	3946	6021	5973	4321	5032	10421	4239	0	8783	10956	Phytochemical	0.4	1.0	0.06666667
12	C14 H15 O5 N3	306.10846	306.10895	0.21248804	306.10852	19298	20272	23410	15082	16388	13085	21347	19597	12142	20081	8382	14427	11759	6379	15548	21402	29299	21526	27211	14965	19056	31193	19146	22269	18213	6730	12900	0	16483	12385	13289	18030	27197	14459	26279	15660	20917	18255	32387	26838	31034	12968	281	0	0	14260	11045	0	14516	18940	20334	21568	13402	0	20008	6020	11761	30225	10719	20086	20118	9466	18116	13841	10060	14629	15722	33739	0	16849	19917	13667	12213	10023	15229	12631	0	13170	28892	17564	20133	15103	16851	14165	0	11785	28199	16666	0	79486	28052	28072	49996	23908	16476	0	18599	13963	8013	7976	8129	21108	12430	11216	0	31218	10567	0	21110	23278	Peptide	0.35714287	1.0714285	0.21428572
10	C14 H15 O5 N3	306.10846	306.10898	0.19353409	306.10852	36922	35650	37499	31292	18691	20116	27150	32269	20883	32100	20690	25876	25727	13550	27927	41081	41769	38435	40619	27299	33291	67986	34842	50749	31520	10248	23368	15401	27736	25411	27859	32023	44764	28259	39285	27313	36078	27077	51065	37129	47179	24278	697	0	0	25187	30069	0	39544	25055	37902	32713	23221	0	27715	14494	17872	49671	25976	32738	39132	21761	29828	23314	17545	32406	26666	57504	21156	28081	34034	25766	22084	16664	32103	26323	0	18511	42371	30384	33419	22136	22560	19111	19048	17117	40651	0	27232	92487	38357	42381	92916	39928	48819	0	41386	34199	15611	16619	15535	36935	22751	31700	0	43931	17299	0	41466	35828	Peptide	0.35714287	1.0714285	0.21428572
0	C12 H19 O8 N1	306.11835	306.119	0.13713759	306.11838	2932	2486	2615	3574	4620	21265	0	5228	2650	1121	0	0	12450	0	1542	0	0	10214	5430	0	1958	3233	1986	2475	0	0	0	569	6410	1888	4423	4902	8451	13412	2155	4609	7479	1230	652	0	0	1854	0	0	0	0	0	0	5456	1889	2622	2922	5877	0	3957	1049	0	5377	743	0	2035	0	9462	3826	1091	7010	8496	0	0	0	0	6803	8712	4206	0	5479	0	1742	0	0	0	0	0	0	1081	0	1135	4223	7191	0	4537	3218	2970	0	0	0	3737	3263	0	849	1326	3010	0	0	0	4439	1331	0	0	13671	A-Sugar	0.6666667	1.5833334	0.083333336
10	C12 H19 O8 N1	306.11835	306.11884	0.21129808	306.1184	46507	42642	42589	38581	102237	65994	36640	28749	143831	30831	30558	29029	221987	46769	31024	31927	39739	176356	155903	60272	41198	53162	31702	21132	13819	16937	12495	16293	38568	34334	21671	27927	54310	33458	62019	37190	52588	24508	64808	18173	25829	70606	2650	0	402	12718	42599	662	60601	29535	45147	39664	79205	1621	217943	124975	46457	31044	21017	22539	28682	18662	145070	142027	43092	117314	61232	30158	12039	33958	12383	23391	30822	33954	35409	26691	0	22799	43481	22092	16500	9581	9401	4784	121103	56859	25837	51936	56797	63738	27655	22853	67680	26933	50504	730	51082	63767	92103	101074	128309	71436	26321	29306	0	19889	138931	554	12149	199401	A-Sugar	0.6666667	1.5833334	0.083333336
6	C12 H19 O8 N1	306.11835	306.1189	0.23598972	306.1184	18745	18467	19475	22101	39200	26837	8769	20233	47141	9436	13690	12467	89357	17512	18847	18403	25102	75339	63204	11647	17238	10755	19828	17734	8032	13200	10405	15672	23621	19380	15989	18644	23846	21948	12963	21865	27959	14720	17494	23402	5467	34422	1011	0	0	10780	12172	0	20723	17218	20544	20607	31826	726	70376	58250	19230	18650	11971	9368	23518	4277	58085	45752	17149	49271	28720	22887	0	2984	34894	16551	19342	22981	24765	14887	0	13671	10498	17886	8440	4688	5223	2078	53810	29157	12005	29509	29630	15613	9862	31903	20612	7713	30232	463	20512	21618	26764	49426	69568	35152	14167	17623	0	18072	54170	0	5904	73593	A-Sugar	0.6666667	1.5833334	0.083333336
12	C12 H19 O8 N1	306.11835	306.11884	0.23637782	306.1184	19718	24977	19095	20226	89840	64705	14138	26401	119240	12647	19488	22032	140410	32046	22921	12391	36755	153697	141297	22669	45207	8001	32106	9299	6089	2151	6425	0	34108	29410	21749	16532	38907	23578	32938	24108	25097	17946	30164	12016	22312	55166	1552	793	801	10742	15264	734	12281	26525	21163	19707	72945	1021	174253	95305	38315	16046	15792	19566	0	16293	124864	114402	30423	96674	48949	29551	0	5399	11693	15360	20393	26433	16701	15889	473	23399	18593	0	12647	10023	9407	3848	84679	41250	19511	34615	49270	11347	10172	17959	14597	24407	8154	923	24822	35629	89025	75163	80207	29187	21838	9549	0	18004	108465	673	9163	171827	A-Sugar	0.6666667	1.5833334	0.083333336
8	C12 H19 O8 N1	306.11835	306.11887	0.21165843	306.1184	37100	33260	31058	36776	68090	41222	28488	31903	91365	15423	26784	25580	171709	30894	62224	33763	38036	114017	103461	28466	35022	19664	43384	23233	24119	2006	27068	11798	29946	32919	27951	31030	40612	28279	22368	37218	40329	50624	26386	11088	16167	56312	1716	352	330	17128	20398	404	30796	31484	34868	33076	56162	730	136625	99972	41374	25705	17041	21773	29409	11034	104965	104125	37958	83201	43402	28255	10892	8134	5811	23894	28541	32889	25953	24518	286	28232	22873	12226	15983	9472	7947	3816	98577	44937	23690	42950	51267	21584	12274	19246	30849	15194	14346	549	37752	51250	67448	94393	108819	54911	30326	22108	14704	24233	101536	0	15397	141155	A-Sugar	0.6666667	1.5833334	0.083333336
14	C12 H19 O8 N1	306.11835	306.1188	0.25982282	306.1184	12120	10390	11755	10056	36736	38327	4026	11992	51006	5926	9875	10591	83514	25071	14993	11716	23123	76234	68034	5733	14908	7975	18464	0	5586	1782	6432	10817	18986	13155	8994	8889	25173	9088	9953	17760	15653	9469	13171	3940	7616	37933	0	601	838	5733	5914	813	9434	11256	12637	13493	32047	604	76713	42576	15932	9515	9163	6747	0	6175	53027	68371	19071	50558	33339	12158	0	1918	1449	6181	9410	16792	15451	8426	468	13470	5629	0	7495	6064	3316	1949	47165	20709	11794	14694	22895	6500	0	9274	11912	7337	3713	645	10468	19584	36046	35762	42207	28768	10148	7635	0	9462	43883	685	3135	65602	A-Sugar	0.6666667	1.5833334	0.083333336
16	C12 H19 O8 N1	306.11835	306.11877	0.2290467	306.1184	3337	5423	4303	4249	11866	9136	1418	4986	10477	2595	1948	4531	16744	7827	3911	3214	7560	16128	13960	1920	3296	1721	4213	3778	1603	0	2948	6154	2012	1824	2759	0	4976	4697	0	5284	4131	4153	5141	0	5065	10007	1040	775	1152	0	2059	882	3155	4288	3192	3318	11474	1141	15782	10831	7162	3742	0	4010	0	0	8618	11785	6785	11176	7826	5296	0	0	2167	3429	5625	3937	5423	3051	732	1965	2734	0	1875	0	1033	1354	20405	5361	4669	5987	6334	0	0	2533	0	3330	0	693	3086	3045	8633	9643	11056	7527	2906	2151	0	0	9000	827	2011	10565	A-Sugar	0.6666667	1.5833334	0.083333336
0	C11 H19 O7 N3	306.12958	306.13013	0.12035152	306.1296	0	0	0	0	1765	26362	0	3040	1523	0	0	0	5347	4364	0	0	0	3318	2469	0	0	2134	0	1876	0	0	0	0	10301	0	6114	0	21514	3579	0	0	2140	0	0	0	0	1789	0	0	0	0	0	0	2530	0	0	0	2476	0	1068	670	0	2347	0	0	0	0	5823	0	0	2980	11552	0	0	0	0	2635	2135	0	0	0	0	0	0	1183	0	0	0	0	0	0	0	0	3009	0	8449	2418	1906	0	0	0	0	0	337	393	0	0	0	0	0	2407	670	0	0	8669	Peptide	0.6363636	1.7272727	0.27272728
8	C16 H19 O5 N1	306.1336	306.13412	0.16796663	306.13364	269629	276253	226624	275162	159960	123322	131840	230628	176870	525315	268821	147688	245206	84164	154828	265710	201347	213492	265186	587461	643362	449395	157635	271529	134123	466692	151855	216203	204423	186685	191793	230428	271963	214504	675606	198642	275427	147132	243020	474956	565174	130292	4729	1475	2166	281502	315288	1647	253673	191258	265599	271040	148861	1988	230287	109424	93481	229217	131494	220633	251087	292510	212457	189264	78877	234493	138555	246884	506065	724313	799477	199256	205264	178250	153880	213083	1495	144181	189499	187449	149946	176634	167730	288593	127570	82508	185845	148999	156409	301610	215398	275943	352360	270582	419491	2916	272016	263908	117097	134542	119900	243993	132893	291705	127615	225978	115059	1629	152468	244125	Phytochemical	0.3125	1.1875	0.0625
0	C16 H19 O5 N1	306.1336	306.13425	0.15945198	306.13364	10205	11359	12602	9865	7442	21638	8451	14388	8764	8482	7202	7834	6138	4690	9884	6411	19408	13719	11886	8220	20931	11475	13109	11475	4462	11175	5083	6933	12736	6967	12622	11016	17707	15053	14474	13369	15463	9999	19922	8242	10694	18905	1943	1554	2605	6151	7241	1480	15206	9767	11094	9557	11978	1641	10214	6938	6828	17651	4858	12253	10498	6618	6621	10141	8721	11703	13482	20889	10156	8977	11181	13016	16312	8948	6615	16421	1833	8376	10043	4386	8618	5106	6950	3797	7548	7246	8904	12264	13468	12927	6475	7713	13080	9374	5256	1547	9128	12692	6068	5637	7719	10532	7622	9988	7441	13372	7661	1362	7763	9511	Phytochemical	0.3125	1.1875	0.0625
12	C16 H19 O5 N1	306.1336	306.1341	0.19698544	306.13367	315628	388470	365320	348871	180823	139719	221438	298337	193834	608132	338765	154334	160709	95205	187850	357985	291451	268271	314699	675771	740302	582814	212251	361454	196131	655553	207837	287229	247293	252282	246134	305570	356266	250353	694181	270418	349591	189852	338627	659754	764387	179185	6004	2500	3229	349922	430011	2712	340473	272391	353541	383406	186390	3180	257340	124619	133480	363749	216492	300630	319290	374985	247342	199588	98533	225702	179585	314183	661009	940748	1033264	243995	232238	224469	282235	263036	2284	184311	225798	246987	204358	264627	246198	378508	150044	134319	237150	194193	192572	442322	397779	440522	489944	344303	571593	3726	362075	381000	149866	121784	125641	363654	168103	352056	190900	290173	151822	2524	216910	274710	Phytochemical	0.3125	1.1875	0.0625
22	C16 H19 O5 N1	306.1336	306.134	0.20230414	306.13367	27185	21822	18609	22804	17892	19227	10270	23403	14019	37777	28749	15324	15396	13168	14695	25654	17929	29334	21070	22307	42432	36192	17558	29090	18106	11479	10534	31502	19611	14362	21604	19332	43194	20141	25987	19944	47093	9671	15421	41441	37603	16090	4781	0	4191	20692	19200	2993	20577	17604	24988	18422	19830	3824	18249	16215	10048	22409	12401	15488	24413	28418	15071	15606	6790	21258	14387	16731	25248	27007	41666	21512	17060	12925	10861	15822	3564	16263	23185	28918	16015	13454	10451	19639	12927	10327	21026	19161	16406	20466	27884	24671	27796	37429	39667	3602	21067	22225	13556	14432	16289	37930	18644	19029	12139	24244	11449	3454	19748	20615	Phytochemical	0.3125	1.1875	0.0625
10	C16 H19 O5 N1	306.1336	306.1341	0.1728708	306.13367	339232	304426	275681	268837	166975	138740	173478	270777	176967	588759	293415	163406	190106	104874	182120	322636	221127	255766	291944	604560	764835	496376	195196	322711	166423	616711	195243	263866	245418	231456	209751	253838	353108	229603	667216	218793	336993	175325	271959	607383	670002	149119	6341	2744	3436	337567	361959	3531	285839	226187	320953	322988	169874	3611	244633	120078	104283	296782	194318	280388	291194	324405	198401	193001	91200	201538	162257	293997	621467	909372	954467	232850	208283	191436	217004	224622	2552	164404	213823	235200	185624	226542	202096	303978	153512	118234	223735	169401	172176	339464	246932	281895	405077	339187	538184	4610	312033	317745	130873	120310	118708	301704	155867	330416	149737	248441	129087	2404	197230	254873	Phytochemical	0.3125	1.1875	0.0625
20	C16 H19 O5 N1	306.1336	306.134	0.21007851	306.13367	67054	67515	65458	50552	56127	51355	32037	49896	45584	125987	77878	27632	59947	46028	44315	59508	41126	77706	74315	96543	119990	110735	43550	68878	52196	67071	30957	86642	55949	45107	41470	50359	79321	54196	115048	42829	86298	31653	42669	130080	139856	50254	5087	3616	4057	59304	59952	4631	50632	36212	62096	69187	58488	4144	55551	42224	31892	67653	37325	38467	65434	83863	60585	53859	29573	60704	47287	44593	79327	94073	134158	48403	44978	37495	37941	42427	3644	38369	43787	84285	34326	41844	42024	72888	39532	28754	41655	53738	51094	62784	101980	89249	90154	104744	101555	4143	65664	65927	34510	39143	39837	70421	31929	67189	38800	58111	34573	4654	41175	80894	Phytochemical	0.3125	1.1875	0.0625
18	C13 H23 O5 N1 S1	306.13696	306.1374	0.2330872	306.13705	2440	2509	2357	0	1741	1852	0	1575	0	0	0	1003	0	0	2054	0	2413	0	0	0	0	3507	1707	3990	0	0	1597	0	0	1267	0	0	1621	0	0	0	1642	0	0	0	0	0	0	0	0	0	0	0	0	0	2151	3491	0	0	0	0	0	2388	1523	0	0	0	0	0	0	0	1438	0	0	0	0	0	0	0	1531	0	0	0	4034	2034	4164	0	0	0	0	0	2797	2086	1337	201734	0	3703	14149	0	0	0	4113	5647	0	0	0	0	0	1695	0	2778	0	0	0	0	Organosulfur	0.3846154	1.7692307	0.07692308
8	C15 H19 O4 N3	306.14484	306.14532	0.13205995	306.14487	58063	59425	51475	61579	19845	20977	39522	65218	18301	53536	32328	39110	17936	11513	46247	84402	62866	26813	37004	67334	61148	83554	43772	93317	48373	26849	47988	32417	55458	49770	50436	63405	61902	57185	69440	52019	66539	44723	78236	75745	86220	26094	0	0	0	63933	67751	0	63172	61069	61580	58681	25053	0	20739	7225	17827	71921	43061	60296	76476	48068	20043	20809	18019	24472	26983	76368	27171	36645	47998	62736	50720	53512	43415	58541	0	36226	52813	45138	43787	38674	54985	47820	16809	17773	50754	34949	36764	118021	105017	96096	138084	62018	75959	0	58501	58223	15865	9506	9598	60140	36591	85246	24406	70586	12785	0	57681	25412	Peptide	0.26666668	1.2666667	0.2
10	C15 H19 O4 N3	306.14484	306.14532	0.13726999	306.14487	45882	40182	43230	36258	17438	15366	31839	51673	11599	43719	19322	34075	13354	11087	35827	67986	51312	21553	26079	47211	42662	69954	39448	64034	41265	19204	32872	25117	42002	44983	35256	49918	51096	43078	47248	39478	59171	33165	60569	53905	55830	20516	754	0	0	35640	45661	0	54633	46194	38492	39793	23571	0	17780	7113	15131	69363	35814	45780	58585	24923	13357	16221	13668	18830	18684	70881	19486	33380	35213	44209	39568	37847	41589	41873	0	28255	43820	30311	36694	25796	41753	30805	12511	15775	40149	29489	26898	0	56827	51892	95473	33777	56607	0	41012	45851	11632	7319	7969	49998	33895	59258	13960	58151	12311	0	47293	19992	Peptide	0.26666668	1.2666667	0.2
6	C15 H19 O4 N3	306.14484	306.14536	0.13956316	306.14487	75941	77270	66051	68900	24457	24759	54124	79488	22475	69886	44772	47325	36150	16181	57967	93441	69782	34699	51884	77048	83555	101538	55405	108439	57207	26978	46013	74113	73015	69938	72732	77830	80265	77497	88092	74870	80437	54892	92958	75895	101349	34263	0	0	0	75839	90224	0	91752	73970	78892	69464	28728	0	31449	14173	21003	92078	50846	77515	87868	55052	22336	18192	19405	33435	39054	96952	29555	47196	53475	72248	70211	65603	48242	64206	0	44325	60670	311644	53019	45956	60005	59704	17555	24461	71235	41463	43687	133242	275883	192423	155471	104611	87213	0	69981	65459	14766	15015	18341	83658	47566	91816	42966	77520	19279	0	55729	28735	Peptide	0.26666668	1.2666667	0.2
18	C15 H19 O4 N3	306.14484	306.14514	-0.104541555	306.1448	2675	4850	0	2836	3008	2911	2173	2558	0	9383	9884	1634	0	0	1748	4330	2067	3059	0	1957	0	3936	2250	6058	1721	2403	1894	21630	4112	2528	3462	0	5144	0	3107	2532	6380	1658	3145	3399	3348	2449	0	0	0	2032	0	0	4182	2664	2104	3817	1304	0	1783	0	1128	3993	1391	2048	1743	1914	2095	0	0	0	2673	3058	1026	2522	3296	1353	0	2174	2551	0	0	1425	3355	2439	3078	16380	1234	0	1889	1838	3984	2828	1644	6575	10524	5265	11881	2350	2479	0	3219	3973	2262	1614	0	3881	0	2201	10424	3731	0	0	2408	1692	Peptide	0.26666668	1.2666667	0.2
12	C15 H19 O4 N3	306.14484	306.1453	0.11595411	306.14487	28007	29586	24219	25995	13732	14615	22749	36492	10646	18706	13352	18411	7424	6647	20215	38966	38129	17794	20528	22974	29591	38813	23062	32843	26535	11781	25325	12157	32011	22991	25458	24504	30953	25269	26005	28390	26706	22427	49252	25097	40976	19773	0	0	0	23480	24186	0	27160	26644	24304	28640	15101	0	12427	5658	10990	43850	21855	23338	29527	15899	11827	12356	10053	18195	17156	41734	0	22959	17685	27074	21368	19864	24846	23575	0	18933	32519	21749	27359	18280	27800	17842	9374	10039	40397	18363	21237	76938	42439	42458	66450	22884	26272	0	21684	22218	13114	7288	7539	24745	14245	25566	0	39391	13933	0	0	14328	Peptide	0.26666668	1.2666667	0.2
14	C13 H23 O7 N1	306.15472	306.15515	0.12618375	306.15475	21589	19354	19846	19876	38254	44113	21498	33885	63546	6032	9428	8679	94513	32736	31569	28144	22574	74464	66819	18435	16168	8868	21547	20445	24583	5861	10263	9714	44110	37944	17417	25349	53935	17735	17031	39593	48386	20227	23329	2761	0	31777	0	584	809	6662	0	0	17418	28788	17752	14025	35690	690	108605	55913	18996	23284	7481	8764	30868	3595	44481	41426	28135	48588	41901	12233	0	4896	2659	26387	24733	47497	21078	23728	490	21918	19434	0	10871	6595	15620	5660	52815	38747	29159	19048	29286	0	21345	16569	17864	5701	10135	942	18812	37089	41368	46554	59265	44648	12078	16969	0	18787	59586	600	12340	53242	Lipid	0.53846157	1.7692307	0.07692308
6	C13 H23 O7 N1	306.15472	306.15527	0.14165448	306.1548	16853	18543	18011	20230	16482	12369	20540	23831	18874	6214	6722	13810	26680	29648	24011	24311	33029	32288	33646	11406	11475	13657	20259	25137	13131	3406	16486	5926	27963	20233	13794	17668	23130	20671	7695	27239	22869	15667	33972	0	4809	18231	3504	0	0	10727	9778	0	17467	19330	17680	17666	16978	673	36566	23602	12459	19551	13168	13627	28551	2436	27512	21670	12466	21919	15170	31856	3368	0	4262	14027	18793	32162	14173	15044	0	14536	16256	5881	14479	7850	29311	13187	28277	26074	20998	14367	15705	25055	12835	17744	29658	5407	6887	1549	16330	20716	11560	25698	47118	29760	13932	17541	0	17122	31424	0	27132	31358	Lipid	0.53846157	1.7692307	0.07692308
4	C13 H23 O7 N1	306.15472	306.1553	0.2004106	306.1548	17394	16472	17704	15618	17274	12302	13634	19356	15226	0	6020	30084	33468	14844	17262	37312	26010	26952	22554	15630	10250	14456	17348	22849	12926	0	13780	0	20100	28880	32752	33916	20042	13492	9012	32913	21730	12708	23510	4826	5308	16024	2076	0	0	12894	13900	0	18488	21916	16744	14898	18282	0	29234	27868	9482	20422	17066	18806	44040	3352	25676	22998	10646	23996	14674	21320	0	5036	0	26406	33132	59949	7786	32544	0	11864	13638	9786	11742	7746	13536	3824	26430	19490	12018	13506	14354	45407	54457	37445	34234	6692	5910	1082	12668	21454	15212	25454	34356	19582	11968	32896	10282	17796	27658	0	10826	27550	Lipid	0.53846157	1.7692307	0.07692308
2	C13 H23 O7 N1	306.15472	306.15533	0.2046299	306.1548	23960	25082	25770	23810	22052	0	9004	49800	18596	7854	7340	22972	40800	10788	22391	41444	15406	38146	31818	11510	9462	20800	18338	44656	9160	0	0	12534	60478	48268	50636	48008	57630	57009	14942	50514	45226	11778	15006	5526	5618	20882	0	0	0	11886	4340	0	61150	37858	28496	29280	20778	0	45094	13706	8796	42278	8676	4628	41908	2764	28876	39950	8162	43302	28292	25695	0	3494	0	68776	66928	54127	30906	43240	0	25234	9287	19894	10091	4410	3434	1360	13688	11934	12572	31066	28528	27486	0	55264	40091	0	4592	0	33482	23452	13418	16512	17596	36326	13566	12638	2834	33670	12750	0	10457	50352	Lipid	0.53846157	1.7692307	0.07692308
12	C13 H23 O7 N1	306.15472	306.15518	0.18245706	306.1548	14085	17470	44334	14069	41607	36976	58479	38705	49095	19745	11760	19016	71201	29533	39041	54570	67561	86327	78747	20384	48912	47413	48292	17972	31565	27957	8559	13756	57321	41855	56829	50716	54282	27044	15026	36807	35955	27392	29740	32668	0	42908	3245	522	474	35598	10136	417	53598	46725	41464	40884	51709	1172	80964	49958	35125	25102	18588	27812	17667	5471	51261	44150	32080	59530	42897	78297	0	36551	9246	18323	26682	58395	14957	19154	360	29758	45982	0	16992	26657	47517	48478	61479	36903	29162	34633	31410	94929	44291	46711	92423	26727	4489	785	17619	25973	43783	45160	72253	62499	19161	31358	0	26142	65410	531	41114	63602	Lipid	0.53846157	1.7692307	0.07692308
16	C13 H23 O7 N1	306.15472	306.15515	0.17952281	306.1548	15082	12649	18440	17799	37584	31007	16546	14309	44659	4835	5810	7629	53802	26856	20760	11819	13788	59612	53983	9575	10539	2645	12387	9119	14204	2187	12329	7584	31574	17139	17418	24198	34141	21287	12447	24807	26015	12924	12269	4387	4174	25309	1441	625	827	4622	2263	610	19326	14819	18777	18321	31831	870	75550	38166	18110	14645	13727	4325	19266	2522	32018	34570	13653	37995	26869	9538	0	0	1304	15133	18022	23395	13572	11138	966	12821	8998	7217	4735	1938	13059	3390	28760	24507	14437	16342	19057	0	16476	19454	0	8696	4122	602	14135	20716	31232	24222	31372	38564	10437	11081	0	0	43271	941	10374	42312	Lipid	0.53846157	1.7692307	0.07692308
10	C13 H23 O7 N1	306.15472	306.1552	0.12736084	306.15475	33596	28236	31604	77035	36800	37885	39426	46961	44572	71083	43758	27914	77118	31489	46208	116761	33740	104234	75183	28535	21616	75784	37364	34187	34485	53990	25833	52922	68639	48227	32417	44010	42371	40032	16844	52153	46698	30030	30078	10717	69951	43362	6791	0	456	21634	55068	0	39220	36175	83626	32447	71500	2012	85920	49928	24713	42761	24366	50303	49723	35683	65779	44899	31483	101850	67052	34629	0	12858	10083	77348	38615	47185	32602	35612	0	56156	32982	11462	21725	13705	49731	64891	56585	47814	35206	67763	34521	23169	396863	309366	129520	46077	13146	2822	30152	51385	30350	47881	90611	57276	24731	82040	50676	31700	52373	1036	70815	54321	Lipid	0.53846157	1.7692307	0.07692308
8	C13 H23 O7 N1	306.15472	306.15524	0.10218807	306.15475	30087	31011	25792	29720	29746	28007	35463	46122	33114	7273	9807	28172	53301	24758	36207	40254	54322	51003	57200	21362	19555	18800	34869	35805	22529	8808	25690	8928	53174	43486	29336	37786	44570	33230	17978	44298	43655	25521	45127	6334	9983	37955	7267	0	295	15599	14364	0	36649	34683	29951	28785	30186	976	60724	37187	21921	32574	17853	17615	48042	5520	35530	38232	21391	41000	29856	38353	4677	5693	7148	30377	40357	43227	32064	30361	0	29580	30836	12457	19781	10946	60313	33741	48070	27839	32972	23158	31747	25525	0	20796	39532	6092	8391	3319	29033	42718	22270	41461	57023	59345	24004	27799	9672	37517	37871	0	21243	39921	Lipid	0.53846157	1.7692307	0.07692308
0	C12 H23 O6 N3	306.16595	306.16663	0.26529464	306.16605	2117	2274	3258	2611	3596	19249	0	4593	2338	0	1139	0	8448	0	0	0	0	7664	3539	0	1187	2318	1758	4491	2139	0	0	76014	8962	1973	6741	3434	18804	6842	2276	2423	5343	1071	1475	0	0	3642	0	0	0	0	0	0	4223	2197	2199	2435	3832	0	2649	1336	0	6302	0	0	1910	0	9762	1563	1221	5864	12916	1838	0	0	0	8780	8489	2758	0	5221	0	1547	0	31315	0	0	0	0	1238	1339	1545	4405	4299	1209	17768	5862	3455	6100	0	0	0	2867	1031	747	1445	2581	0	0	0	5169	1733	0	0	13694	Peptide	0.5	1.9166666	0.25
2	C12 H23 O6 N3	306.16595	306.16666	0.49081093	306.1661	2227	3041	1691	2063	0	0	746	2354	1248	383	0	1167	3070	0	1585	0	1270	7208	1630	0	508	1432	1212	2543	1221	0	0	11601	2046	1352	1590	1618	2674	2088	1530	1398	2023	1300	1569	0	0	6816	0	0	0	548	0	0	2298	1265	2287	2871	1801	0	1080	768	881	1902	0	221	734	0	2602	1535	0	2982	2252	1231	0	0	0	2146	2243	2416	506	1104	0	1392	1416	42253	1083	0	0	0	1016	820	1123	4884	1838	1952	9069	5249	2284	4605	0	0	3269	1938	25848	843	1147	2123	1300	7019	217	2338	1466	0	604	2794	Peptide	0.5	1.9166666	0.25
8	C17 H23 O4 N1	306.16998	306.17047	0.11283486	306.17	190099	182535	165024	200408	65825	65027	116872	134369	61528	367569	153597	73148	68465	60327	68520	151707	126328	77882	117429	461107	426287	203062	74882	148710	104214	288418	142309	154903	135304	113356	119948	163516	176452	143135	480157	124623	180012	73919	151157	266816	212579	64231	1696	665	792	139635	147044	716	195718	117874	162407	170995	71651	782	73582	28681	44079	143771	17123	58159	138327	128136	60439	61656	48093	80898	78939	158471	216006	487075	436869	134355	131624	109165	251930	131873	566	71808	181221	118935	140316	44520	35711	169463	44494	31169	203174	71405	85143	174000	169389	118577	214428	149107	235954	684	174569	161680	43948	34425	51648	157831	69098	146662	46029	119244	39613	569	120622	71405	Lipid	0.23529412	1.3529412	0.05882353
28	C17 H23 O4 N1	306.16998	306.17035	0.16378124	306.17004	4008	3800	4115	3334	8137	2657	2797	0	16869	3489	7039	1805	6031	2022	2123	1916	3662	3978	5499	2901	3056	3738	2429	3492	0	0	3248	8610	2366	0	1892	2430	2839	2010	3366	2946	2210	2891	3090	2398	3766	0	0	0	0	0	3716	0	2292	0	3533	5030	7912	0	16797	12196	3305	3414	1979	1869	1950	1735	8998	13685	1500	7623	4495	2830	7104	3386	7008	1322	1934	0	0	2338	0	2041	8235	5575	8501	1640	2237	1601	24959	5831	8611	3697	2866	4229	5315	3875	2857	6256	0	0	3402	4131	8838	28149	23263	3912	2358	2029	0	2785	21604	0	1780	4327	Lipid	0.23529412	1.3529412	0.05882353
10	C17 H23 O4 N1	306.16998	306.17044	0.13502453	306.17	127264	112332	122040	115499	62452	49354	74014	121315	54974	280142	120816	68430	59321	39659	69871	134909	100939	75301	101273	338853	334639	168336	70733	131266	71579	254250	95565	119116	107321	100446	88040	117148	149985	106295	322296	102517	145828	59293	129107	224019	212207	55878	2167	579	531	111730	110249	626	142062	107616	118869	132441	59328	943	61744	26490	28713	145116	24306	77773	127052	95885	51853	50392	31560	76231	63623	128974	196824	387810	340417	102042	92974	93367	116357	93599	1156	63485	74478	82921	64279	47216	44112	120079	37545	33784	76679	58759	65593	169705	152386	102375	181933	105838	213399	1217	129559	123263	35836	28208	37725	133447	61607	130808	52284	102710	36958	656	76556	65364	Lipid	0.23529412	1.3529412	0.05882353
18	C17 H23 O4 N1	306.16998	306.1704	0.1929613	306.17004	153532	151100	149694	143517	105129	71071	293031	130248	66718	261419	168779	103937	85620	57041	83541	191468	156983	109279	119463	319128	309498	210429	79031	150704	78229	284711	313347	174018	111281	118226	104711	124294	163837	125150	240635	127720	141068	85250	153244	244604	289989	78041	3594	1203	1092	128433	150865	1384	139135	112057	144034	144656	84731	1541	85492	64564	60042	155530	74608	135642	151996	162395	75957	63369	45197	103086	82410	150812	225340	287262	372647	125771	93223	100564	129159	124258	1081	99498	101127	165987	72035	97833	97777	173559	67816	62155	116829	98046	95518	207332	206053	214368	181275	154304	235924	1346	146246	139814	61955	74909	80018	144828	88751	167070	71231	124665	61590	1118	101520	84187	Lipid	0.23529412	1.3529412	0.05882353
2	C17 H23 O4 N1	306.16998	306.1706	0.1297071	306.17	169079	169505	148825	149380	29825	56869	134874	285596	24972	175193	83130	143738	27122	20653	145005	288676	220722	49727	75046	227893	222760	163936	124746	239485	122770	112265	140026	67767	257170	233735	218605	263167	231504	210822	209142	266407	234773	120481	239517	186414	168421	74092	890	488	513	103897	116117	582	299422	235763	149350	152936	49646	724	41224	13674	28978	213904	27860	51884	221772	89472	23812	39869	28126	42555	78511	270251	96424	148213	160020	213575	237096	278554	297908	221262	484	146033	125751	71580	124653	42565	70696	106464	20253	32306	105752	69168	84395	204628	147481	120277	241104	98553	205023	1560	158753	179675	22131	12178	16725	233552	126665	561074	52485	185101	18576	716	117901	28736	Lipid	0.23529412	1.3529412	0.05882353
0	C17 H23 O4 N1	306.16998	306.1706	-0.024756331	306.16998	39965	42621	46210	38985	1413	0	24806	81671	2151	13124	10893	25729	0	0	23715	169229	40159	4155	4981	15360	30411	15191	15634	95386	60974	11676	12799	10553	106221	65683	56558	186625	28022	167312	19638	201144	27323	21106	41825	15879	27609	10964	0	582	523	28190	15332	380	95288	57964	39705	30819	5213	1218	2744	1266	4940	117350	7709	15244	193803	17345	0	3466	8424	4015	7656	48825	12491	16073	13393	75286	215276	183185	171340	155354	630	22988	20441	12269	17405	8146	18895	16288	2416	6664	16674	8201	8838	22866	16039	11784	21762	17947	8523	1021	42242	39480	1837	1284	1704	21612	14101	17952	9940	22309	1908	0	85356	1812	Lipid	0.23529412	1.3529412	0.05882353
12	C17 H23 O4 N1	306.16998	306.17047	0.15755223	306.17004	100425	108653	115883	117673	56685	43353	79814	96384	45244	171249	95502	55943	41973	29043	57826	126307	118161	65502	83775	260114	257413	151946	59220	132922	65868	214887	84281	78758	97734	99402	90718	112553	109754	103979	204256	95440	113352	54089	130284	180742	215768	54123	2141	646	939	113868	128154	1045	122291	102721	116486	107636	62712	763	58833	28316	33195	132300	33289	85249	98121	87936	52166	43258	27272	56941	54472	134216	150443	274557	320331	84884	84358	87878	115231	94900	624	59693	75699	106630	57298	62113	55282	108098	36876	31545	84932	49667	56034	212856	145937	118617	172248	91345	162371	944	110997	117520	35078	32701	30930	112863	54314	123372	40149	99820	37500	743	78714	64415	Lipid	0.23529412	1.3529412	0.05882353
20	C17 H23 O4 N1	306.16998	306.17038	0.18723655	306.17004	94600	85686	87744	85699	96540	56568	62447	69135	51747	122843	96810	63325	68011	66424	63240	116013	98473	85656	83508	155889	192825	119242	57473	124113	58875	146778	69637	99241	82139	78353	65689	83743	105755	88698	126975	64941	114464	49297	102656	131601	166435	53421	3859	1224	1444	84889	104452	1618	93270	67830	94967	98308	67539	1443	58625	62346	43600	112630	58426	88181	102068	91151	48759	43196	33247	77600	58278	102004	112279	145649	174081	75015	66348	66058	83229	79080	1386	56201	79509	109444	58761	51253	68119	96989	62028	41379	79186	79598	56612	129939	131479	124051	128065	110374	123351	1707	85243	93755	53347	77916	67948	108841	55969	98284	59161	82694	63314	1486	71607	74994	Lipid	0.23529412	1.3529412	0.05882353
14	C17 H23 O4 N1	306.16998	306.17044	0.183579	306.17004	139039	138466	119464	126521	64677	49394	100042	118540	43972	194177	135652	83379	54076	38312	67383	154857	148587	70728	79683	228849	270792	190538	71029	128571	83907	260507	92654	113212	93246	111141	92526	114715	118482	104808	201493	108192	133760	72892	164102	214382	259123	64849	0	808	705	119461	141107	1062	130605	99346	137354	115956	63799	987	49485	35861	40825	151330	60801	142212	117884	112391	47228	48470	33134	76399	65783	178196	190434	283732	381000	96305	94912	90749	132837	105315	618	67723	99814	125187	77675	71126	99981	154145	50468	36937	110886	79244	78794	278149	179732	147776	187858	125325	199292	1167	136266	123703	38240	43222	42043	131261	69124	153553	54543	124913	40287	911	116317	54425	Lipid	0.23529412	1.3529412	0.05882353
24	C17 H23 O4 N1	306.16998	306.17035	0.1618589	306.17004	15765	13518	11860	16606	27230	14312	7011	11859	16325	25910	34567	9562	14533	15703	9422	17608	11734	16368	23120	35598	31186	18313	11273	13327	6116	6663	7874	37504	12133	10948	9087	10767	13908	15423	26317	12542	13100	6096	11201	24609	28359	15604	0	0	0	11648	13594	0	13372	6807	16218	11995	16660	0	15549	10493	10067	15392	11832	10264	15999	16261	10592	12494	6727	20403	20837	11403	7157	6897	8058	10189	12197	8561	9127	8700	0	8447	9684	18994	7261	9214	8553	13339	14489	8520	28673	15001	24994	24357	22740	21083	13743	18479	24708	0	17332	16607	20631	10435	13705	15082	7174	12977	13436	11164	21015	0	7992	14572	Lipid	0.23529412	1.3529412	0.05882353
16	C17 H23 O4 N1	306.16998	306.1704	0.17378263	306.17004	127990	142764	152646	147166	79991	60899	174760	134009	53776	259713	179291	88209	65251	52237	81975	163276	169740	98965	105987	358384	362392	194917	75667	154961	86952	301821	196634	152972	107609	117075	108596	129495	134743	110195	280407	122323	142868	73290	173229	237594	295557	68594	2968	1028	1226	132094	153853	1124	149796	127936	149690	135153	79576	1774	54091	45173	51611	156805	85015	152302	135151	147566	57707	58912	44390	74647	80223	165363	235811	355289	392637	117761	105650	111270	136979	116232	816	76159	89521	153827	65413	101956	113696	194241	60256	46524	110562	88448	80032	240799	170905	182876	170992	152153	237794	1449	143509	134295	51906	45837	48935	139008	75780	133561	71441	139587	58709	1094	106363	71348	Lipid	0.23529412	1.3529412	0.05882353
22	C17 H23 O4 N1	306.16998	306.17038	0.18025468	306.17004	39550	55809	37449	42427	65372	38516	28469	33089	37512	69451	75238	25323	39784	27986	24700	57317	54616	61921	43590	88959	93857	62505	29647	53368	26517	58621	22842	59863	40937	39178	30295	40907	54522	48279	55062	44290	49524	23100	48871	66099	94095	33507	3692	0	1472	39834	57533	0	46479	30796	47873	42447	51288	1424	41851	38708	27661	49376	27750	48752	46876	42447	42473	38961	20656	56776	44621	52222	47643	54059	57234	44107	36629	28904	37110	39567	1294	24701	34937	52772	21371	31307	30395	42598	48644	30216	39742	56359	39408	62546	64104	68129	58146	63006	76026	3076	40097	52995	39628	49327	53036	54292	25853	51315	38494	42367	50340	0	33098	43103	Lipid	0.23529412	1.3529412	0.05882353
28	C14 H27 O4 N1 S1	306.17337	306.1736	-0.057957068	306.17334	6578	4711	5567	5486	0	932	2181	10511	0	0	0	11430	0	0	6650	62363	0	0	0	0	0	0	0	0	13211	0	5400	0	30343	35579	56995	102852	32172	108197	0	46248	37900	4954	2965	0	0	0	0	0	0	0	0	0	156120	10397	4722	4168	0	0	0	0	0	15462	0	0	0	0	1340	0	0	778	0	0	0	0	0	7218	24081	12716	75900	21357	0	2659	0	3248	0	0	0	2490	0	7242	0	0	0	1112	814	959	0	0	0	0	4451	4019	1429	0	0	19682	5341	0	0	1593	4877	0	3379	0	Organosulfur	0.2857143	1.9285715	0.071428575
6	C16 H23 O3 N3	306.1812	306.18173	0.12567939	306.18124	13350	14144	14522	15072	5008	4378	12253	17454	4211	18869	6546	10425	1915	3414	10604	20748	14534	6828	9742	24157	26933	20242	8887	22782	12891	9806	10960	7730	16203	13987	14403	18082	20483	16393	22921	14188	17705	10669	21208	20043	17876	7077	0	0	0	13509	16363	0	18277	14781	13523	13333	5766	0	3090	1749	4230	21651	1698	4813	19512	10501	3424	3266	3579	5008	8482	22271	8689	16614	18199	13582	14087	13106	12529	13910	0	8176	10939	12198	10093	5091	5331	14222	1792	3181	13509	9554	7567	31338	15212	10724	31538	10272	18784	0	11941	13852	2392	1207	1033	18668	8833	14555	0	19447	3165	0	12599	4267	Peptide	0.1875	1.4375	0.1875
2	C16 H23 O3 N3	306.1812	306.1818	0.044428173	306.18124	17017	16126	15518	17922	2939	0	18667	28870	2134	17213	9634	14734	1509	2171	21364	21230	26005	5694	7880	21708	21214	21416	16494	29640	22509	6470	11825	10237	24376	21735	21986	27517	24886	20106	19374	29417	25493	17368	28752	23985	21234	9518	0	0	0	13786	14709	0	27599	24537	15292	17563	5790	0	3606	999	5164	23099	3759	5801	20036	11850	2078	3766	3888	5403	8908	33041	5531	11574	11401	21360	21098	26528	22024	21209	0	16649	18877	17399	15116	5984	10871	17558	2092	6325	17344	9925	7737	40989	25234	22000	52883	12411	18155	0	17808	20353	2466	692	1604	20379	13010	26550	9079	23666	1889	0	20047	3589	Peptide	0.1875	1.4375	0.1875
8	C16 H23 O3 N3	306.1812	306.1817	0.10320736	306.18124	12435	11311	9774	9617	6184	5606	7530	12106	4067	12407	6715	6848	5211	3095	5636	15457	11734	2027	6652	21710	21565	14252	7477	16281	8703	10231	6145	6409	9581	10138	11309	13046	12451	11949	18768	9336	11774	6016	14312	19508	13145	4198	0	0	0	11849	14138	0	13157	9402	8315	11732	4956	0	2933	2290	3095	12474	1146	4206	12238	7938	2179	3614	2245	4200	5069	17410	7665	14683	16494	11984	9350	8454	8977	9514	0	7107	7791	7845	6129	3370	5107	12502	2673	0	6138	6953	5420	28541	12010	7220	23225	8374	18445	0	12079	9104	6195	3595	2292	11357	5725	12351	0	14416	4981	0	9291	3763	Peptide	0.1875	1.4375	0.1875
12	C21 H23 O1 N1	306.18524	306.18567	0.3532017	306.18536	0	0	0	0	0	4012	0	0	0	0	0	0	0	1179	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1395	0	0	0	0	0	0	1562	0	0	0	0	0	25002	0	0	0	0	0	0	1289	0	0	0	5309	0	0	0	3454	0	0	0	0	0	0	0	0	0	15066	0	0	0	0	0	0	0	1342	882	0	0	0	0	0	0	0	0	0	0	0	1260	1678	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.04761905	1.0952381	0.04761905
24	C18 H27 O1 N1 S1	306.1886	306.18887	0.062283956	306.18863	1129	1332	1513	1432	0	1158	0	5502	0	0	0	0	0	0	0	2179	0	0	0	0	0	0	0	0	0	0	0	0	26690	7512	26278	19262	2444	33990	0	8983	21463	0	0	0	0	0	0	0	0	0	0	0	38632	3949	2244	0	0	0	0	0	0	0	0	0	6204	0	0	0	0	0	0	0	0	0	0	58441	61904	8747	0	8433	0	1110	0	0	0	0	0	0	0	0	0	0	858	0	0	0	0	0	0	0	2377	1085	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.055555556	1.5	0.055555556
2	C18 H27 O3 N1	306.20636	306.20697	0.14134116	306.20642	23326	24767	21373	20702	665	0	22144	59048	531	20982	10894	23190	414	504	24109	52576	36161	2000	4302	33444	26117	19717	16911	51191	25365	4723	26907	7066	47001	48067	40401	50554	33054	41207	19228	58666	38182	19573	38253	28547	17432	29143	0	0	0	13716	13903	0	56489	55673	22429	21824	2909	0	716	0	4459	37264	837	915	39542	11019	0	1246	4045	1048	20623	40711	4367	5465	7149	45181	47738	72509	53165	48178	0	26006	18301	13671	17604	3682	6580	19529	533	2794	12320	5883	10097	35059	26316	10525	45614	14972	38913	0	24171	24451	747	0	258	34691	19292	49417	5382	32456	301	0	22392	0	Lipid	0.16666667	1.5	0.055555556
12	C18 H27 O3 N1	306.20636	306.20685	0.17931837	306.20642	265323	281484	286580	278745	5215	6774	7030083	909932	2050	45105	197098	1495446	1826	4107	344942	1530137	17499	1868	5381	31441	40753	6648	11356	9286	9680	24461	11946103	97467	22072	51254	74828	28420	28165	19172	35039	28955	22385	453264	15802	23467	9390	4333	0	0	0	10955	11286	0	31506	1119662	275650	271100	9004	312	1623	1727	17223	504075	0	0	1215562	7012	6079	3309	39670	6922	6794	23502	26088	35013	34953	626734	42434	84192	23584	38351	0	1417447	5917	0	8387	1688	1454	17323	2595	2833	9110	6208	7117	33667	24136	3560	26023	9993	23790	0	279874	266759	2826	1703	1873	19164	1280074	9597	0	18031	1726	0	26595	5028	Lipid	0.16666667	1.5	0.055555556
22	C18 H27 O3 N1	306.20636	306.20676	0.1623782	306.20642	42458	46338	37717	38834	29949	41797	25160	43307	11358	59782	39764	23401	15818	23539	17561	66598	55639	20206	28485	45279	65749	39476	17882	37827	24708	73680	24699	36799	54232	65384	36039	52619	76077	49610	49135	67689	45292	17636	56549	45639	59049	41040	3079	0	330	44296	74239	0	86565	111937	39320	40576	27386	8400	14144	12535	13725	46937	23427	95368	50954	27484	22243	13082	12967	49817	38696	58698	48837	50757	72584	39325	37227	44517	55412	65853	0	23027	22464	36644	13348	24601	22233	27376	14472	17630	77863	47062	27241	163254	76277	52806	74087	28955	89138	0	33841	45823	18937	15441	17889	59328	20422	49838	22158	35783	22831	0	28308	60756	Lipid	0.16666667	1.5	0.055555556
20	C18 H27 O3 N1	306.20636	306.20676	0.15723217	306.20642	26621	33677	29306	30060	14050	24403	19068	23832	6252	41467	22984	15163	11614	19982	12794	39472	43489	14105	13169	31555	38190	29139	11317	28734	14688	65708	24721	25615	25186	40589	21165	33386	45894	28731	40318	30884	24666	12430	36876	36624	56371	31505	1840	562	0	26822	60822	0	58801	58862	27017	31843	12221	6293	7076	5541	8831	30481	8010	81611	30315	15541	18826	5646	8408	33541	15412	52231	47437	49378	74033	24175	27421	26311	40264	42648	342	12181	13688	37810	9353	14793	21879	26745	7620	6408	35554	31811	13223	97985	55428	37214	59366	26018	64164	1542	33399	29122	10845	8159	6268	28766	14071	35769	11666	26260	7641	0	21891	38407	Lipid	0.16666667	1.5	0.055555556
6	C18 H27 O3 N1	306.20636	306.20688	0.11096011	306.2064	108150	123412	104945	116870	12952	44927	108630	224725	8938	124821	61022	117292	7112	6994	106644	231274	171911	22316	39347	143653	142623	87097	89290	201497	97108	42313	121079	53451	173084	199282	182825	225634	202205	201415	138529	197850	201239	108797	210952	85410	31018	37724	0	0	0	70498	68853	0	257656	195124	110987	111675	24412	0	9539	2783	16510	207753	0	1033	211581	40656	5800	9588	19412	19789	43012	250270	31148	73813	65114	193736	187760	210828	180979	160120	0	111200	87285	52178	84873	7083	8448	68963	4602	17609	85012	45699	56723	218920	133962	19546	251220	60307	118792	0	113177	103974	6529	1647	3457	197974	106084	112518	37315	189741	5413	0	95821	8254	Lipid	0.16666667	1.5	0.055555556
16	C18 H27 O3 N1	306.20636	306.2068	0.19430338	306.20642	10438	11453	11338	13726	1952	5187	8737	15307	0	15827	9553	8862	0	3541	3995	25854	12810	2611	5568	10003	17155	10650	4522	11176	9840	15610	10436	7509	6821	15701	7195	12891	12008	9523	13511	6496	10034	5708	18867	13746	19066	6827	610	0	0	12077	18543	0	22039	16660	9372	9429	5710	2791	0	1266	1314	16908	2768	20056	15905	5830	2482	1307	2606	7924	5297	16820	16139	13167	22664	10572	12194	7923	16600	10943	0	8258	11958	8730	5925	4028	4426	8088	0	1748	15008	8402	6505	37352	26301	10246	0	8441	23856	486	8378	10654	1389	2138	1836	10586	7860	9471	0	14157	0	0	9061	11482	Lipid	0.16666667	1.5	0.055555556
24	C18 H27 O3 N1	306.20636	306.20673	0.13375944	306.20642	42770	38109	46626	48280	94472	83662	36515	37071	33129	71502	57095	63218	45510	273345	19179	63625	61687	44906	54927	76494	81155	30557	16042	31717	19602	44748	29799	63202	45380	71282	36576	59701	64632	43558	60975	57659	45851	23236	51808	55393	56925	99360	8101	0	0	48314	39473	0	107859	123666	42996	45657	78103	9265	25963	56972	38031	53379	23366	56953	52004	28010	32313	21684	34773	80151	74527	53411	27243	26387	45535	39161	42786	49897	42923	66158	0	47130	19025	37105	12870	25032	26221	31860	28130	22234	33880	53438	38996	54927	57246	48198	40458	33160	66497	0	44621	49418	31602	18490	28639	50114	48534	49958	25096	32305	53644	0	24565	77698	Lipid	0.16666667	1.5	0.055555556
4	C18 H27 O3 N1	306.20636	306.20694	0.06367742	306.2064	58733	65751	63022	60132	4430	19227	54978	160134	2628	66892	30773	65711	1825	2643	68958	134347	87204	8973	19052	92614	86220	55759	55418	137994	62565	19549	68847	29727	112745	99305	117877	122296	102977	93750	82033	135059	104103	55003	93224	71530	32957	22555	0	0	0	42225	43788	0	139034	149976	65981	49830	12854	0	3948	1226	20933	99063	843	949	114392	29722	2231	5300	12842	9849	31236	107667	14646	26337	25475	108942	107368	148813	113453	104899	0	76888	53531	43157	52394	6519	10364	47389	9995	10592	44000	22091	26735	96341	72727	19729	124767	42040	94408	0	57740	69700	3599	986	1824	99001	55576	107080	23569	86541	2223	0	56903	3624	Lipid	0.16666667	1.5	0.055555556
14	C18 H27 O3 N1	306.20636	306.20682	0.17258227	306.20642	49979	51462	40897	49146	4192	5390	1078552	199873	0	18754	27337	251097	0	4462	22460	264551	7244	2915	3584	16454	17645	10695	2612	6429	4425	17118	2397051	18850	8556	21731	25065	14114	11429	13907	18043	16319	9654	27462	8453	10514	7198	2961	0	0	0	5940	10151	0	18508	199568	48990	45302	2998	973	0	0	3245	105755	0	8428	194561	2481	2917	1499	6170	4546	4171	13844	0	16155	19243	174828	19840	23292	16380	20573	0	259857	3025	0	3117	0	0	8389	1654	2516	5488	3854	4164	32698	19388	2950	31882	6851	20319	0	36264	45153	1817	0	0	6525	218678	4233	0	11596	0	0	6289	3703	Lipid	0.16666667	1.5	0.055555556
18	C18 H27 O3 N1	306.20636	306.20676	0.1153792	306.2064	14319	17677	15591	15188	17229	20548	8702	13465	2474	22287	16143	7137	7788	29843	4733	28769	23978	6167	5119	19494	22501	20444	6201	12308	6896	32430	12431	13193	13979	20665	12912	20618	19100	13626	16438	15095	17768	4187	24060	18055	34417	12891	883	0	0	13926	26641	0	30478	29416	20988	14891	11868	3634	1630	5302	5164	15944	3301	44724	20494	7820	5722	1817	2643	17304	6445	32110	25125	25580	42769	14216	12109	13279	22523	15320	0	6551	10634	16549	4231	6838	4836	16901	3912	2092	17504	15449	6323	78777	29133	20101	68192	13506	39143	481	20568	15004	8110	5633	5806	15148	6354	13468	7094	20461	5436	0	9374	15687	Lipid	0.16666667	1.5	0.055555556
26	C18 H27 O3 N1	306.20636	306.20673	0.21556951	306.20645	5312	5619	7594	6614	5291	5608	4090	16269	4065	5519	7803	17787	0	6586	10812	12137	6232	0	5467	7140	9376	5950	0	0	0	0	3583	10908	10802	14701	23812	12188	15472	10631	7504	13106	11979	9815	7169	5722	7087	6159	0	0	0	0	0	0	15397	15692	6003	6803	3340	0	0	0	0	9870	3395	6229	15672	3131	2261	0	0	4738	0	5568	0	1773	5407	14137	15794	20708	7516	20078	0	34723	2773	9277	0	4941	0	2981	0	0	5487	7320	3131	13374	9311	6963	8882	5322	6074	0	7039	10420	3972	0	0	18669	18440	5724	0	5896	0	0	4095	3704	Lipid	0.16666667	1.5	0.055555556
10	C18 H27 O3 N1	306.20636	306.20685	0.18739629	306.20642	33087	26402	29392	24872	9359	13691	26220	48196	5094	49444	28167	20236	5913	9106	42646	40944	19338	6671	18896	56167	60657	32216	14791	32327	21171	37485	34946	56066	37318	26724	62979	30281	35912	28790	54869	20746	37393	46417	24961	36763	10840	11271	0	0	0	14763	19466	0	46521	32249	27708	33945	8865	0	5147	1364	5681	50758	0	0	51350	7726	3750	6076	5536	12207	10333	37969	27296	53146	47691	42216	29935	29924	31225	27572	0	20801	15005	16306	19424	1357	0	20721	2973	3716	16841	13354	12776	79043	77635	4465	74708	22990	40906	0	28775	24007	2781	2544	3090	32223	15687	17646	0	38373	2799	0	18766	6097	Lipid	0.16666667	1.5	0.055555556
8	C18 H27 O3 N1	306.20636	306.20688	0.16767009	306.20642	75027	72625	70209	76676	16860	19036	59214	87061	8963	88309	38939	42326	8564	26610	35457	93863	55817	14821	24368	100601	95570	72012	32585	82966	71473	42572	94209	36664	62211	65480	72780	91902	82876	70361	98394	70481	88232	35856	67714	59166	18830	20256	0	0	0	39333	32458	0	108185	74188	76786	69524	17200	0	7365	6142	12251	94520	0	1603	101499	21542	9411	9337	10363	17543	24261	90511	35867	71740	58692	186432	69969	67748	81917	69468	0	45501	41097	38456	27299	1859	2209	47674	6518	9742	41243	24729	27463	1121086	107607	8804	391986	43051	81502	0	71519	69262	10906	5416	6149	72355	37293	48298	10389	112047	11327	0	61445	11346	Lipid	0.16666667	1.5	0.055555556
4	C15 H31 O5 N1	306.2275	306.228	-0.09593846	306.22748	435	506	0	697	3036	10916	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	844	0	0	0	0	0	33549	0	0	0	0	0	0	0	0	489	0	11882	0	0	0	18174	0	0	0	0	0	0	0	1613	4679	44347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2579	0	1259	0	0	0	0	0	0	0	0	0	0	614	514	1033	351	0	0	0	0	0	0	1257	0	0	0	Lipid	0.33333334	2.0666666	0.06666667
6	C15 H31 O5 N1	306.2275	306.22797	0.09444721	306.22754	1072	1760	1760	1784	8148	8828	0	0	0	0	0	0	641	5640	0	0	0	719	1008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	898	0	0	35265	0	0	0	0	0	0	0	0	1233	896	34089	0	755	0	24778	0	0	0	0	0	0	0	760	28652	55749	1259	0	0	0	0	0	0	994	626	0	0	0	0	0	0	0	0	0	0	0	691	1265	0	0	0	0	0	0	0	1243	0	1552	0	0	0	0	0	0	0	657	0	0	0	Lipid	0.33333334	2.0666666	0.06666667
12	C19 H31 O2 N1	306.24277	306.24323	0.1783147	306.2428	87968	76965	78762	73206	4061	7573	65968	72127	1954	7234	9395	41960	0	1007	51782	375906	77900	2981	7281	15739	9180	18049	75386	156586	367833	4235	112243	0	94463	43325	64514	116737	93771	106748	11507	74981	81591	61922	57873	7612	0	27956	293	0	0	23352	12331	0	126929	43951	84662	66821	13399	0	1353	0	11444	478066	0	0	283721	0	0	1737	20105	2009	17725	186309	0	21238	5696	48113	52963	33301	126595	60560	0	42401	173332	26917	186312	0	0	11708	0	17552	147824	50279	83705	1520785	79057	0	542973	12569	22289	0	83537	83476	0	0	0	101378	40123	3940	0	352849	0	0	357328	1602	Lipid	0.10526316	1.6315789	0.05263158
24	C19 H31 O2 N1	306.24277	306.24307	0.13113417	306.2428	0	1026	3436	1860	0	2153	2266	2112	0	0	2591	0	0	1401	0	6379	3450	0	0	0	1833	0	0	4640	2502	4992	1412	1390	2689	2425	2355	2873	3218	3988	0	3132	2697	1983	6800	0	2042	1753	0	0	0	2274	4794	0	4969	7605	3309	2135	0	0	0	0	0	4068	0	3226	3844	0	0	0	0	0	0	4230	1177	1422	2835	1400	1763	2409	5809	5104	0	944	3832	4178	0	1178	0	0	0	0	12145	2220	0	27625	5391	2095	3105	1363	4309	0	1656	1751	0	0	0	2424	956	1559	1564	0	0	0	4390	2034	Lipid	0.10526316	1.6315789	0.05263158
10	C19 H31 O2 N1	306.24277	306.24323	0.20542836	306.24283	7105	10589	7972	7170	1318	6312	12217	31747	0	5325	2681	15839	0	1502	28224	127922	24046	3042	4510	9953	7702	2097	19732	85491	274188	2289	12288	3859	32193	14833	15877	14921	21351	39307	7397	29132	27604	18557	8584	8900	0	3807	0	0	0	7278	11470	0	21138	22463	7816	11864	3802	0	0	0	907	33405	0	0	48869	1167	0	1005	1967	1118	4831	13020	0	6432	2087	17061	11939	15030	11993	10150	0	14127	38239	59410	6252	0	0	5040	0	3198	11216	7824	4969	67688	42572	0	434272	3405	11149	0	8400	10400	0	0	0	20106	9007	4733	0	110465	0	0	78593	1694	Lipid	0.10526316	1.6315789	0.05263158
8	C19 H31 O2 N1	306.24277	306.24326	0.23303382	306.24283	3799	5591	5615	7853	1485	1278	7738	11385	0	2794	2075	5973	0	0	5672	13813	5398	0	969	4053	3499	0	5535	13415	10230	1093	13367	4065	9208	9064	9568	12361	10304	7219	2534	9909	12684	6837	6366	1843	0	2095	0	0	0	2030	0	0	11678	8088	5523	7386	1599	0	0	0	722	10878	0	0	11480	0	0	0	1643	0	2164	11374	0	0	0	11344	6973	8668	8818	9015	0	5117	5158	0	4173	0	0	3379	0	0	6552	2341	4165	85378	0	0	24640	2144	4407	0	5536	5675	0	0	0	9733	5675	1744	0	11653	0	0	4722	0	Lipid	0.10526316	1.6315789	0.05263158
22	C19 H31 O2 N1	306.24277	306.24313	0.19202818	306.24283	2875	4693	3824	4165	0	0	10558	7731	0	0	0	3871	0	0	2228	37395	2196	16625	9631	0	0	0	2178	11194	8752	0	6459	0	8518	6433	23322	4133	3249	3466	0	4493	1726	2559	3843	0	0	2872	0	0	0	0	1363	0	5487	9463	2426	2327	0	1872	0	0	1009	15414	0	1904	27098	0	0	0	0	0	1559	2945	0	0	0	3354	0	3362	7739	3582	0	2253	4413	2185	0	0	0	0	0	0	36404	19189	5056	59440	4658	0	3228	0	0	0	4373	3911	0	0	0	7134	4087	0	0	5719	0	0	7247	0	Lipid	0.10526316	1.6315789	0.05263158
16	C19 H31 O2 N1	306.24277	306.24313	0.22025083	306.24283	5228	4237	5058	4065	0	1866	4024	6436	0	1783	3605	8982	0	0	3856	15917	2290	0	0	3122	3055	0	3715	9151	14563	3871	8794	4069	5367	7068	6704	7794	8349	10504	0	6415	10468	3818	0	2658	0	4516	0	0	0	1353	1679	1890	14897	5612	4717	1625	1187	0	0	0	1149	17467	0	0	15195	0	0	0	2016	0	0	11020	0	1583	0	5912	5652	4269	11444	7240	8313	5977	3824	0	1086	0	0	6253	0	0	11159	3021	3020	170243	16910	0	0	0	2654	0	2621	4399	0	0	0	14848	5951	0	0	15306	0	609	6485	0	Lipid	0.10526316	1.6315789	0.05263158
14	C19 H31 O2 N1	306.24277	306.24316	0.19971794	306.24283	5309	6936	3554	4573	2620	2027	5266	4731	0	2277	2811	2233	0	3507	1485	10749	6115	0	2528	2154	0	0	2335	11069	3358	4291	10976	0	5391	6371	6132	11454	14584	13468	4213	8322	14607	2764	2345	2527	0	8707	0	0	0	1621	0	0	11744	5142	5980	7057	4939	0	0	0	2586	18089	0	0	0	0	0	0	2014	0	7826	18850	0	5214	2422	7080	12820	4718	19485	12471	0	3971	2316	0	2020	0	0	1844	0	0	5341	10559	6615	36172	15117	0	13685	0	5647	0	4781	4337	936	0	1205	11558	3452	0	0	16970	1453	0	3395	0	Lipid	0.10526316	1.6315789	0.05263158
12	C20 H35 O1 N1	306.27914	306.27957	0.057974268	306.27914	0	0	0	0	0	0	2158	0	0	0	0	0	0	0	3308	0	0	0	0	0	0	0	0	0	1935	0	8123	0	0	1219	0	5920	0	1610	0	26634	0	5725	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11604	14613	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.05	1.75	0.05
18	C20 H35 O1 N1	306.27914	306.27924	0.07090522	306.27917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1633	0	0	0	0	0	2226	0	0	0	0	21098	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1971	0	0	8581	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.05	1.75	0.05
16	C20 H35 O1 N1	306.27914	306.2795	0.05585256	306.27914	0	0	0	0	0	0	0	11873	0	0	0	0	0	0	0	3352	0	0	0	0	0	0	0	0	12760	0	1672	0	0	2352	59543	0	0	0	0	3600	1714	0	0	0	0	0	0	0	0	0	0	0	3681	6918	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2485	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.05	1.75	0.05
20	C14 H10 O8	307.04483	307.0452	0.24280867	307.04492	18314	24630	17466	17180	74602	46370	12176	4196	113149	5092	0	13110	118270	69724	11282	6670	5956	91042	83720	0	0	16976	25022	10372	11942	0	10386	0	4302	2690	7618	0	10202	4056	4736	0	13338	12030	3038	0	0	18762	4610	2332	3432	0	0	6714	10138	8816	18880	23432	48890	2154	55634	51332	33544	9056	2526	2648	8892	1812	119620	67054	23482	88276	28040	7266	0	7934	0	3876	0	0	7012	4168	3750	5652	43752	9292	33306	4734	0	0	87626	42656	35956	28204	44140	10544	4814	5242	0	12686	9293	2680	16422	24642	45536	80162	85256	11848	5952	6714	6756	8298	47328	4218	15204	132834	Phytochemical	0.5714286	0.71428573	0.0
22	C14 H10 O8	307.04483	307.04526	0.24272953	307.04492	7674	6649	5208	5543	27005	13718	3117	1638	20412	0	0	2768	28915	21723	3344	4634	2762	30249	24406	0	0	4972	7211	2506	3024	0	1395	0	2193	0	1751	0	3284	0	0	0	4044	4000	1880	1653	1533	5116	2809	0	2226	0	1825	2869	1914	0	4963	5736	20346	1282	22770	15906	8939	1747	0	0	1363	0	44583	21082	7209	29174	8312	2691	0	0	2051	1266	0	0	0	0	1871	3966	15129	2921	14736	0	1322	0	42959	17146	11793	7884	8822	3074	0	0	3401	1692	0	0	4242	5165	12778	28570	20746	3280	2902	0	2667	1626	17446	0	5288	40888	Phytochemical	0.5714286	0.71428573	0.0
24	C14 H10 O8	307.04483	307.0452	0.25827187	307.04492	4720	4494	4555	2896	15028	8761	0	0	13153	0	0	1786	30876	12184	3597	2147	2112	22875	20185	0	0	1727	6405	2135	3238	0	0	0	0	0	1327	0	0	1379	0	0	3813	3989	1477	0	0	2622	2091	0	0	0	0	2424	2013	0	3959	4035	8824	0	18344	12986	5824	1933	1231	0	1806	0	30094	13307	3804	18554	4392	1829	0	1393	0	0	0	0	0	0	0	1559	12738	2656	12035	977	1064	0	28298	12250	6454	3950	7446	1931	0	0	1987	1641	1476	0	3267	4790	9307	14571	15759	3282	2180	0	1687	0	9838	0	3406	27818	Phytochemical	0.5714286	0.71428573	0.0
28	C14 H10 O8	307.04483	307.04517	0.19095947	307.0449	7261	5817	6592	7175	12754	6568	4034	0	12725	1281	1388	3056	21348	10393	3470	2930	2576	21052	21878	0	0	3524	6652	4410	3790	0	3784	0	0	0	2561	2143	3170	1775	1447	0	3159	3287	2031	1498	2150	3595	1441	0	0	2107	0	2703	1951	0	6682	6309	9764	0	14419	9321	4164	3288	999	1758	3344	1667	18835	13035	5287	14985	6392	3061	0	1156	1820	1407	1443	0	0	1308	0	1988	9558	3412	12048	0	1268	0	18536	8180	8750	4674	6335	4186	1640	879	4235	2936	0	1203	5034	6873	8837	9024	15873	3717	2857	0	0	3471	9345	1418	3404	23864	Phytochemical	0.5714286	0.71428573	0.0
10	C14 H10 O8	307.04483	307.04535	0.29243773	307.04492	14077	14799	14121	12202	46337	19718	2766	4075	51294	7882	7160	9474	84644	14956	5064	4640	7335	49758	50535	4575	9969	18003	13237	2231	1707	0	5375	0	3051	2213	2058	3474	9793	1529	13565	1756	5304	7392	5643	2773	8203	15186	707	0	0	3446	4751	713	2490	1302	15857	12879	22846	347	44938	49001	21412	5461	0	5011	0	3213	85628	54042	15295	65727	15512	5893	0	1501	0	2242	2052	0	4321	1924	0	3749	15943	7096	12249	3839	906	1025	56614	18264	13809	22207	20220	6937	0	4385	2086	17331	9752	0	15899	13426	32393	76751	60382	8307	7117	0	0	7173	33255	0	3450	86249	Phytochemical	0.5714286	0.71428573	0.0
26	C14 H10 O8	307.04483	307.0452	0.22861524	307.04492	4191	4433	4074	4788	14399	8196	0	0	10786	0	0	0	21134	13271	0	0	0	18804	17202	0	0	3016	5976	0	0	0	2957	0	0	0	2726	0	2181	0	0	0	2302	0	0	0	0	0	0	0	0	0	0	0	0	0	2777	3422	9683	0	13812	7929	3599	0	0	0	0	0	26457	11418	3115	17022	2825	2005	0	0	0	0	0	0	0	0	0	0	10769	0	11437	0	0	0	14802	11626	5699	2910	4790	0	0	1355	0	0	0	0	2951	0	7387	12171	12990	0	0	0	0	2624	9431	0	0	24854	Phytochemical	0.5714286	0.71428573	0.0
18	C14 H10 O8	307.04483	307.0453	0.22871372	307.04492	31750	28090	30826	26944	98452	73528	16578	9754	85046	7232	3550	19926	151456	77848	20074	14682	7678	117732	117314	3996	5004	13604	42678	16012	10444	0	14072	0	0	6070	15830	6554	27440	0	5214	6110	36286	22056	10730	5880	0	42782	5204	1862	4232	7904	6090	5520	10544	5240	31048	32148	74842	2222	91098	66950	39948	13606	4568	4742	19160	3940	160974	74416	49166	145542	47236	9236	0	0	4794	8016	4182	4424	5836	0	2306	16408	63136	9934	44582	6844	0	0	123730	64920	47438	52266	54764	11210	0	6058	12450	16370	12528	2632	30236	20832	65446	100086	105434	16498	15916	3596	5538	17952	65570	1966	14514	143680	Phytochemical	0.5714286	0.71428573	0.0
16	C14 H10 O8	307.04483	307.04532	0.2715542	307.04492	21665	22530	18474	21885	68442	47012	13055	7658	59074	5383	8593	15314	114383	51428	19329	11264	9842	99963	106249	5463	5150	11062	27795	10241	9752	0	9881	2441	4476	6221	10320	9184	16585	5343	9540	3985	20669	19802	12395	2720	3780	23361	2199	786	1579	4546	4649	2901	10697	5862	24314	27324	50603	780	56125	55111	32809	16944	4238	3941	16275	2460	111168	67124	25025	98649	37151	10965	0	2164	0	6862	3629	2452	12149	6143	1042	9403	33088	14785	27330	7517	1301	0	81307	37282	36293	40123	42831	0	4604	5777	0	13619	10426	920	29876	20150	32914	66055	83734	25241	14341	2099	4854	16208	44103	1287	9713	110434	Phytochemical	0.5714286	0.71428573	0.0
8	C14 H10 O8	307.04483	307.0454	0.30617854	307.04495	5604	8468	3524	6544	23377	8492	1109	1050	26408	3596	4927	3090	43266	6451	2539	2240	3005	17887	22764	3511	7711	8635	5346	2459	0	0	1139	0	0	0	790	0	4731	0	6636	1061	2456	3166	2455	0	3386	8486	0	0	379	0	2298	0	0	846	6263	8532	14442	0	24000	26248	11122	2588	0	2034	0	0	48099	31734	9812	29941	8251	2433	0	0	0	1625	1042	0	1622	1078	0	2136	7084	0	4160	969	0	0	27496	7118	3828	10564	9381	2831	0	0	2099	10379	5273	0	5549	8676	20975	44844	34982	3237	2168	0	0	1746	18876	0	0	49206	Phytochemical	0.5714286	0.71428573	0.0
12	C13 H10 O7 N2	307.0561	307.0566	0.3503345	307.05618	3988	2859	4334	3846	8117	2975	0	2415	9131	2833	2611	2643	12286	1979	1385	1803	4134	10458	9878	0	3235	10854	3411	3060	1139	0	1338	0	0	1457	1388	1277	4877	0	4312	1265	4007	1921	4563	2514	4887	3410	0	0	0	2103	0	0	2739	1493	6066	5428	4762	0	11438	5864	3351	3192	0	0	0	2557	18588	13267	3227	11275	4916	5704	0	0	0	1392	0	0	1356	1259	0	2599	4472	0	3803	786	1333	0	10142	3369	4154	7388	6776	10521	2485	2896	5251	6472	2128	0	3388	4108	5147	7747	7453	1920	2161	0	0	4517	6190	0	2082	24436	Unclassified	0.53846157	0.7692308	0.15384616
14	C13 H10 O7 N2	307.0561	307.05658	0.3505629	307.05618	4915	6152	6080	4944	8130	5490	2638	2753	4947	0	4151	3291	9277	5210	3326	3698	3712	8245	10452	3228	4036	10052	3055	5511	2201	0	2644	0	0	1348	2629	0	7190	2376	7031	0	8045	2641	4467	3266	5707	3941	0	0	0	2740	0	0	2427	0	4134	4547	6071	0	6127	5932	3429	7037	0	0	0	2518	17213	13118	3609	7783	5358	4905	0	0	0	3177	1776	1456	1908	1886	0	2789	5885	0	3627	0	0	0	5080	0	3600	8002	6224	9615	0	2764	12269	5032	3457	0	6586	0	4197	7372	5517	4958	4008	0	0	7246	5927	0	5015	21324	Unclassified	0.53846157	0.7692308	0.15384616
10	C13 H10 O7 N2	307.0561	307.05667	0.36129224	307.05618	4494	2825	2747	3927	7215	4704	1034	1038	10026	2055	3257	2371	16558	2718	2574	1515	3394	9862	10414	1451	2686	5181	3388	1563	996	0	1590	0	0	0	1753	0	3566	0	4491	0	2431	2272	1752	0	3016	4048	0	0	0	3391	2017	0	2365	1201	3492	4065	5128	0	7869	6438	3755	2653	0	1894	0	2434	15841	10733	2805	9174	3778	3487	0	0	1743	0	1042	0	1553	0	0	0	5077	0	3098	0	0	0	6747	2629	3942	5137	4153	8894	0	0	7981	5467	2543	0	2945	3162	6010	7315	7869	3572	2661	0	0	3419	4740	0	917	25400	Unclassified	0.53846157	0.7692308	0.15384616
20	C14 H14 O4 N2 S1	307.0747	307.0751	0.22858056	307.07477	3720	2994	3432	2896	0	0	5257	6773	0	0	0	7089	0	0	5066	7112	14920	0	0	0	0	1779	7258	22106	6154	0	2804	0	4659	4073	4134	3820	5273	3088	0	3263	5427	3744	10407	0	3759	1424	0	0	0	3268	1554	0	2153	7103	0	2842	0	0	0	0	970	4840	0	2988	6051	0	0	0	0	0	0	15597	0	0	0	7330	4104	3631	4259	5284	0	6419	5476	2200	9167	2073	0	0	0	1641	4140	5076	2574	10037	0	0	11285	2118	0	0	3383	3444	0	0	0	7949	5460	0	0	15515	0	0	8747	0	Peptide	0.2857143	1.0	0.14285715
10	C6 H15 O5 N6 S1 Na1	307.0795	307.07983	-0.47227287	307.07938	5543	6453	5855	6494	9919	6322	2482	1563	7137	8075	5104	4077	6478	5678	1408	2322	1819	5448	6821	6338	5239	4280	1660	0	0	3592	2537	5405	1458	1610	1967	2659	3001	3018	6770	1415	3901	3354	3319	7430	7629	3568	1862	0	0	0	3598	0	3289	1514	4905	4441	7131	0	6192	5255	6250	3072	4915	5372	0	7651	7686	9017	3933	8155	8263	2598	0	5230	6544	2033	2001	979	62963	3656	0	2021	3018	0	2113	2390	3212	4602	6200	6540	3198	5125	5890	3028	0	3871	0	4396	4341	0	4180	2894	7221	8588	6954	0	1748	3836	0	3130	12612	0	1257	8287	Organosulfur	0.8333333	2.5	1.0
26	C15 H14 O7	307.08124	307.0816	0.17217547	307.08127	13819	11425	12951	14924	29739	15701	5361	0	28149	10153	4292	8345	48898	21979	11731	9480	5950	43095	34968	11715	10659	18266	15785	9859	8023	0	5266	4400	5517	0	6426	5366	10479	7458	18071	5969	13551	7293	7245	7564	6918	11397	0	0	0	7813	7110	5393	7057	0	14202	15809	18067	0	37280	26297	12102	8743	5259	5592	10411	5819	43646	27558	8857	35423	15018	11257	5238	5709	8182	5286	7202	0	0	6435	0	6473	20032	6991	17592	7639	4958	4808	35045	24671	13971	12668	12615	7197	8490	7994	14420	9709	16011	0	16440	14317	17930	25736	26854	11910	6872	0	6349	10179	19325	0	6940	45851	Phytochemical	0.46666667	0.93333334	0.0
22	C15 H14 O7	307.08124	307.08163	0.22360636	307.0813	29756	28158	24760	33013	60555	35251	13656	15421	59441	29432	16429	13936	80229	32557	22245	21262	13942	73679	50498	17024	23401	36551	28211	18058	16517	14092	15391	10469	13369	11642	15805	20224	22249	13500	35894	13015	25988	21188	13986	23423	22603	20703	6510	5570	6291	20285	19723	5497	12334	10754	29711	25788	35245	5192	67134	50224	30545	19845	15897	10564	20660	17506	85745	64019	23297	80935	28017	12033	15945	15550	19591	13637	9987	10895	6941	15197	6126	16198	40877	28944	38378	18909	9283	11979	74884	36328	39497	24577	26831	14573	19831	17254	29152	28100	33968	6329	27440	28814	39386	68819	60187	23308	17060	16111	15639	18475	42512	3881	21878	97266	Phytochemical	0.46666667	0.93333334	0.0
28	C15 H14 O7	307.08124	307.0816	0.113307305	307.08127	13414	13425	10615	13542	17624	14205	6112	7277	18405	12831	7807	7356	33721	15036	8518	8595	7610	24182	22530	12063	11244	17049	13074	8491	8229	5515	6140	6289	5716	6955	5494	6118	10713	7106	16321	4454	8271	6578	6880	7429	9997	10093	4186	2205	4299	9903	10115	5673	5921	5118	11611	10445	14651	5330	24774	17989	10782	9706	5931	5871	8524	8247	21056	16877	7389	23566	10587	8036	8632	7259	8339	5573	6816	5312	6229	8498	3973	7567	13976	13128	14097	8481	4800	6902	21404	12780	12404	7958	10641	8977	7544	8480	10098	12285	13657	3844	12759	11518	14339	22057	22858	10459	9563	8954	8843	7873	13379	2604	8790	26867	Phytochemical	0.46666667	0.93333334	0.0
24	C15 H14 O7	307.08124	307.0816	0.18924423	307.0813	17639	23007	18685	17978	38072	22426	8395	7445	35931	14657	10232	10263	65331	26074	13793	13963	7511	53691	39002	11187	13295	27092	19312	13827	15275	6919	4501	6138	8410	8182	5603	6508	11306	7496	21734	8091	12671	9893	6786	10469	10041	10744	3575	0	7061	11779	12895	6130	8161	7372	19000	19588	26649	0	48286	38577	17452	19833	7975	6255	14572	8432	69995	43219	12288	51602	13599	7265	7298	8921	11836	9076	6590	5528	4942	7573	0	6005	29180	15838	23575	10044	6723	8261	42854	20207	17595	15188	23872	10086	7878	10538	15466	18597	24820	5640	16881	17205	24183	39776	39934	13540	10848	9165	9488	12831	23404	3485	10292	63631	Phytochemical	0.46666667	0.93333334	0.0
6	C5 H15 O4 N8 S1 Na1	307.09073	307.09088	-0.34381828	307.09064	784	0	1212	997	0	0	0	0	1387	0	0	821	0	0	637	1167	0	0	0	0	0	0	818	783	0	0	1258	0	0	593	594	0	0	1115	0	0	0	469	0	0	911	0	0	0	0	0	0	0	0	0	1402	0	945	0	0	0	1319	0	0	1023	0	0	1589	0	1085	0	1731	1159	0	0	0	0	0	0	37201	0	0	0	0	0	733	660	0	0	891	0	0	973	809	1728	0	0	1223	0	0	0	0	0	1096	759	1035	983	747	0	0	843	1103	0	0	1257	Organosulfur	0.8	3.0	1.6
18	C14 H14 O6 N2	307.09247	307.0929	0.26830736	307.09256	14282	13052	14614	19163	19879	15310	17331	14248	11515	7998	11524	17235	22255	8497	18946	30939	33277	24132	26522	6491	10035	34396	22312	27363	13424	1999	20859	12139	16548	14480	17695	17050	26175	19851	12654	11944	26532	18206	36760	15284	25726	16153	1787	862	870	7179	10245	929	20209	14236	15066	18735	15639	1061	18506	9797	12240	23159	8492	14215	26133	12871	15563	16565	10676	23068	12854	35582	3502	5812	9178	13661	10528	7620	19759	11597	509	14336	26456	20379	20264	8319	8609	5672	13106	12716	36397	27782	15623	39781	13492	24070	44996	17845	19260	941	16443	14492	10397	12988	13822	21196	13594	14536	5107	24836	12138	617	20074	27023	Peptide	0.42857143	1.0	0.14285715
8	C11 H18 O6 N2 S1	307.09583	307.09662	0.029551985	307.09586	150025	154642	121620	156080	151203	83143	70821	106264	174064	164889	135806	102732	204203	46669	98318	148263	157986	171635	222089	126817	200342	267606	130140	154745	60412	29097	81247	65788	84277	78014	91608	94564	140401	84862	233728	72207	139834	99294	187847	155511	277154	102567	1861	300	395	111620	152702	386	124360	93028	146697	152650	126345	490	194150	121790	96589	127058	84357	136992	139684	128171	237439	198791	91243	180455	113671	207423	98391	81471	190463	85704	73839	51233	81333	83493	0	79606	178805	110581	120180	78009	68123	58471	153150	80010	169430	140895	129036	355528	58496	132741	305399	168064	163584	992	149880	138565	111070	164951	151058	134414	90122	126417	82253	161045	117446	381	98221	264011	Peptide	0.54545456	1.6363636	0.18181819
22	C19 H14 O4	307.0965	307.0969	0.20522104	307.09656	6712	11018	11003	7963	13724	4698	6619	5473	6677	13198	24546	5208	8041	7141	4783	5051	8574	12238	11844	11038	16351	17338	7875	10824	6964	32792	5868	21612	6232	3977	4734	0	5788	2203	18844	3651	5981	3304	4645	12656	23475	6455	2704	0	784	7493	12565	0	4565	4851	7341	7893	9170	1436	6390	6479	8700	7547	5013	9029	9977	11086	6185	5919	6413	13408	12481	8589	25771	28359	35779	3174	1693	2164	2282	4506	404	4751	12419	17931	9878	11016	4925	11243	13462	8193	10949	9273	6481	10590	8629	8012	11835	17612	15554	0	8123	9076	8740	11914	8258	5190	5026	6971	6866	6687	8228	0	9344	6224	Phytochemical	0.21052632	0.7368421	0.0
18	C19 H14 O4	307.0965	307.09695	0.29566327	307.0966	9698	7601	6158	6099	6328	3536	3377	3174	7139	7671	16665	4078	8872	4564	2165	6685	2697	7838	8962	11310	9712	10037	4583	5555	4842	28502	3631	11314	4077	1935	3802	4324	4975	0	15308	3806	5800	5372	2379	10958	11711	3794	677	0	408	8032	8832	0	4219	3673	7530	7984	5634	345	2890	3888	4478	8971	4423	4684	6770	5002	7307	5159	2874	9088	5516	5126	22342	23005	35179	4396	2777	1730	4515	5746	0	2242	5448	10322	7974	8246	3325	5990	5704	5585	7305	5135	7114	10441	8163	4888	11164	10943	10674	0	5068	4858	7314	4848	6255	6900	2795	3448	3412	7729	4127	0	5405	4009	Phytochemical	0.21052632	0.7368421	0.0
20	C19 H14 O4	307.0965	307.09692	0.31281275	307.0966	9628	10153	10550	9629	9440	3850	2113	4403	7806	16456	26035	3225	8694	10123	4482	5962	6225	11022	9639	16308	21236	19542	8409	7578	7157	40503	4292	21159	5016	4661	2331	4064	6349	3047	19728	2121	5938	3229	7345	15895	19653	7549	945	0	406	8018	15214	0	4785	5461	5361	11881	10396	954	4644	4371	5040	10116	4059	6421	6803	10849	5446	5439	4303	12007	12501	7450	33339	38762	48817	5440	2550	3629	2594	4485	0	4333	11444	17613	8715	8226	6079	10992	9874	10961	12743	10933	9814	11903	8204	15540	12327	18434	12589	987	8761	7802	14349	7078	8996	4275	4739	8937	6604	6598	10177	0	9401	6062	Phytochemical	0.21052632	0.7368421	0.0
8	C11 H18 O8 N2	307.1136	307.11417	0.46520904	307.11374	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1151	0	0	5094	0	0	0	0	0	0	0	0	0	0	18110	0	0	0	0	0	0	0	1513	0	0	0	0	0	0	0	0	0	0	0	14093	0	0	0	0	0	1366	0	0	0	0	0	0	0	0	8055	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	290709	0	0	0	0	0	0	1262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1571	0	0	0	1118	A-Sugar	0.72727275	1.6363636	0.18181819
6	C11 H18 O8 N2	307.1136	307.1143	0.47843277	307.11374	0	0	0	0	0	560	0	0	0	0	0	0	0	0	0	0	0	1587	0	0	0	0	0	0	0	0	0	0	13945	0	583	0	1273	0	0	0	0	631	0	0	0	0	0	0	0	0	0	0	8640	0	0	1222	0	0	1203	0	0	0	0	0	0	0	1075	2809	0	661	0	0	0	0	0	0	0	0	0	0	0	0	0	0	439849	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1613	1715	903	0	0	0	0	0	0	0	A-Sugar	0.72727275	1.6363636	0.18181819
10	C11 H18 O8 N2	307.1136	307.11423	0.32307687	307.11368	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2577	2652	0	0	0	0	0	1349	0	0	0	0	5404	0	0	0	2227	0	0	0	2880	0	0	0	0	0	0	0	0	0	0	0	7151	0	0	0	1153	0	1142	1070	0	0	0	0	0	0	0	1329	0	1261	0	2799	0	0	0	0	0	0	0	0	0	0	0	0	54980	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4165	0	0	0	0	0	0	0	1502	A-Sugar	0.72727275	1.6363636	0.18181819
6	C7 H19 O4 N6 S1 Na1	307.1159	307.1164	-0.30367592	307.1158	1533	1612	2603	2502	1842	1317	2164	0	2114	1914	1994	1670	939	928	1126	5110	0	0	1395	1888	1303	0	1214	1994	732	1274	3234	0	0	2493	1327	2088	1219	0	0	1438	0	1655	2019	2191	2385	1383	0	0	0	1958	3111	0	0	1048	3396	2967	1716	266	2271	1845	1819	2356	3972	3149	1555	3020	1445	1799	0	1290	2642	0	0	2251	4971	870	782	1437	79385	2067	0	1245	2584	0	0	1731	2251	1664	1839	1764	2427	1386	856	3686	0	1399	3277	1630	3335	0	1473	1263	1902	3332	2228	1232	1146	2250	0	2514	3825	0	2407	1972	Organosulfur	0.5714286	2.7142856	0.85714287
20	C16 H18 O6	307.1176	307.118	0.18217278	307.11768	439930	448073	426648	364649	547777	490454	243268	395835	558106	508440	273846	237660	864500	364231	375495	348195	251453	794409	766177	616844	531642	438554	374808	401288	309854	374139	234652	274324	454726	335926	370315	369540	506437	367213	601891	315817	566880	283269	256449	459727	332862	377740	41125	28667	30122	328111	260963	31394	394290	284899	431409	420522	463161	24140	700167	472532	305873	464058	337687	187080	372599	297418	692467	570150	229434	664046	481340	270858	344063	523572	490602	381457	352143	311731	245408	362139	26393	311440	396758	259343	331875	210506	266418	306611	464070	333651	385998	347330	405771	287775	420076	447913	495274	291453	316176	39784	435913	452996	385326	470570	486136	456202	282457	390388	230115	360913	364455	32442	271379	848782	Phytochemical	0.375	1.125	0.0
6	C19 H18 N2 S1	307.12634	307.1273	0.6774624	307.12656	0	0	0	0	0	0	0	0	1016	0	0	0	568	0	0	1153	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1198	966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1811	0	0	0	0	0	0	0	22263	0	0	0	0	0	0	0	0	0	0	0	0	0	842	0	0	0	0	0	0	0	0	0	0	0	0	838	0	0	0	0	1428	0	0	0	Organosulfur	0.0	0.94736844	0.10526316
6	C15 H18 O5 N2	307.12885	307.1294	0.15780145	307.1289	699556	772779	662746	725387	415808	373171	618242	815045	405324	577618	360906	586340	391923	196009	581874	975240	976743	635129	799248	611730	694506	791996	568718	937722	482917	209799	588915	261993	734206	732511	756779	925160	1114745	797377	724052	781004	1082661	554252	1326519	443354	720049	523347	3712	1033	979	574056	613866	1281	1015834	712619	745604	691647	467771	1806	454859	225108	301068	939380	336623	546331	847656	365985	402286	343657	241173	464548	538589	1372690	280575	447720	565913	696469	730256	663645	677563	705931	701	494331	534457	254492	498671	355930	405947	310633	285807	325205	604127	617666	638895	1062917	480696	555249	1104893	397143	524625	2599	680547	624386	232363	250297	297435	1150989	560699	646284	299552	880255	302632	1037	534154	571438	Peptide	0.33333334	1.2	0.13333334
16	C15 H18 O5 N2	307.12885	307.12927	0.15312143	307.1289	120493	128558	117399	123249	77218	93894	128849	169074	61114	84004	65502	105338	66322	52255	123828	175170	176867	137114	115025	90160	87208	166220	112160	181747	115278	47452	112766	74265	145828	132916	156827	163184	202318	153097	103425	143332	230487	98584	207085	99518	111209	95660	2896	2621	1890	83032	69754	3079	189194	156368	129712	123467	104683	3182	63126	41093	56786	188984	89921	94956	179630	66460	63869	58644	46675	97043	105712	206078	52907	64767	78709	154564	129459	118321	121316	139376	2074	110495	130903	102935	97052	63593	90751	69229	60996	55549	139636	116325	119283	255317	125897	146859	267212	77786	105196	2485	115461	118400	43655	48684	51944	195828	101218	104321	35248	180058	58797	1820	134668	116378	Peptide	0.33333334	1.2	0.13333334
14	C15 H18 O5 N2	307.12885	307.12927	0.082356945	307.12888	337674	332747	305825	332767	270866	270280	332699	396450	150043	182772	131309	287870	176938	168626	291756	432557	578610	311607	287819	195883	203860	422937	313799	536803	319478	78633	314046	112510	335508	328838	379040	458556	600166	414717	240317	347070	594504	254337	614115	229480	247075	250864	3708	2231	1625	226414	169757	2343	488006	322548	318898	305167	314315	5039	147505	83426	144160	510810	249459	229932	414316	144148	156532	173055	121999	267500	293771	596062	87224	146539	147282	351513	326794	245254	305981	326800	1281	277554	318249	173673	311808	143594	214153	140951	115007	138913	374302	379844	391212	670919	299073	295977	777047	154734	212339	3280	325894	289935	113934	101288	126470	463588	280028	294030	103095	539647	124442	2329	343305	213936	Peptide	0.33333334	1.2	0.13333334
18	C15 H18 O5 N2	307.12885	307.12927	0.19201617	307.1289	60250	55583	51976	53289	38553	45580	42642	60340	21564	39654	31443	44106	30438	25858	46321	82230	63877	55402	55688	41125	36416	78067	56303	86238	44163	47196	41580	36325	81762	55300	62521	56042	88617	70026	36814	55874	114879	38224	74262	44637	58032	44555	2471	1946	2091	35918	37440	1911	82144	56187	57203	52197	44598	2216	29011	23524	29707	88027	38358	45026	67309	29757	31506	34284	29151	49763	50916	77639	43790	46335	57867	52079	49818	40893	55038	56856	1313	43549	54799	39395	50454	29150	37067	29229	22655	29250	53911	63106	64180	96689	74333	73701	128898	37433	48394	2105	63508	57074	28964	21834	25451	94550	39834	55413	17839	83498	27395	1933	60275	44453	Peptide	0.33333334	1.2	0.13333334
8	C15 H18 O5 N2	307.12885	307.12933	0.08802891	307.12888	720155	801518	589989	765041	401194	384165	584252	816733	392475	597730	350396	567560	395878	223747	617147	1004535	923090	602711	748260	733080	738048	983577	677166	1027323	590884	276798	638790	319712	740021	699234	773256	874974	987912	785191	823940	678175	1007401	596616	1179879	725768	849273	470901	4724	1548	1318	713859	708935	1446	945963	713004	713494	760948	455074	1966	504555	253800	301090	915084	483529	608382	907810	438497	416540	432665	275187	487383	477749	1106459	359695	544781	610131	737405	719206	600690	636848	755549	994	542884	732054	408102	634430	464061	542915	430717	329287	282351	725775	583661	601762	1237691	789701	757501	1456169	491514	632074	3361	767323	734397	273969	339964	318418	895308	555740	789928	299128	907383	307703	1141	667389	557558	Peptide	0.33333334	1.2	0.13333334
0	C15 H18 O5 N2	307.12885	307.1295	0.0788041	307.12888	11920	13392	10417	12002	14689	10295	8652	14740	15743	8708	6140	9776	14964	6699	8868	3519	15843	18201	16325	10135	20607	16951	10808	14358	5755	5059	3068	8323	15456	7230	12210	13640	20466	15984	14979	15673	21761	8403	17811	10470	10345	12330	0	1484	1173	6622	6685	950	19970	11002	13909	10667	14514	857	17585	13608	9206	17503	6815	10623	7487	5820	16296	15586	14702	18619	18994	15841	6555	8625	7430	13051	17742	10725	2411	16438	992	6911	10122	7757	8504	4350	7869	5094	15079	10387	10154	15080	12731	9940	8430	9687	21872	8437	4043	1402	11124	12379	9145	12467	13805	13644	6476	10114	5278	17113	15201	1030	8825	23052	Peptide	0.33333334	1.2	0.13333334
20	C15 H18 O5 N2	307.12885	307.12927	0.24644008	307.12894	10701	10988	6602	9386	11703	8464	7963	17011	5171	0	6551	10312	5499	3552	12331	16429	16135	10473	9883	5322	1949	16343	15325	19329	12680	2970	7161	8600	11821	8489	11639	11149	20647	15146	4936	11108	20699	9667	13837	8410	10803	12591	1957	2779	1866	8681	13593	2488	16510	10488	10770	11112	8714	2006	8179	3650	6546	15944	9603	9386	17790	5333	6958	7048	3151	7948	8204	14112	2116	4124	4176	12316	8396	7779	8219	12006	1938	9654	9427	12084	8154	5442	4510	0	5470	6625	14913	13761	10071	20930	15675	15523	28247	9764	10252	2055	7644	8957	6235	4361	4974	17083	10624	13186	4147	16829	5738	2300	12780	13936	Peptide	0.33333334	1.2	0.13333334
6	C12 H22 O5 N2 S1	307.13223	307.13245	-0.23946337	307.13214	0	5317	0	1733	0	818	0	1693	456	0	0	0	782	0	549	0	0	656	758	0	0	0	573	823	0	0	2279	0	0	867	0	822	0	0	762	0	1857	729	1570	0	1649	647	0	0	0	0	0	0	0	1034	0	1770	805	0	0	669	795	1397	0	0	0	0	0	0	0	1840	1226	0	0	0	0	0	0	2046	0	0	0	587	763	0	0	0	0	0	1056	0	0	0	818	1714	49870	134384	1098	0	0	0	1933	0	918	679	0	3044	3668	0	0	0	0	0	2182	1745	Peptide	0.41666666	1.8333334	0.16666667
2	C12 H22 O5 N2 S1	307.13223	307.13272	-0.1829128	307.13217	272293	274629	233165	244409	236997	204015	294926	328094	228553	161756	168924	318282	229586	101059	253061	207618	653583	281365	293643	171472	269218	279686	264190	255087	116890	49119	173573	118926	326045	234663	305978	302598	489859	312992	259245	289561	359941	271604	642240	161712	222295	209433	2204	844	1161	129143	150329	969	291684	195905	244000	264883	232353	1321	222903	115342	151885	281418	78893	153748	177468	101212	240367	228131	124745	275984	235658	804700	99550	118423	167998	262850	305408	261191	236395	288589	794	230189	346044	96056	312920	86389	88758	68591	167323	162598	305362	309252	270020	544512	115839	149240	415582	145101	104687	2218	266304	280271	154353	171460	179904	324925	295872	167252	89009	326952	206691	1093	233594	296907	Peptide	0.41666666	1.8333334	0.16666667
20	C20 H18 O3	307.13287	307.1333	0.26246053	307.13297	21522	22521	22560	18486	16926	13513	9648	19083	15015	20129	25516	16481	13771	15370	16483	25545	20944	17356	16060	27341	29931	26133	16493	27533	17759	73775	10358	20195	18321	19405	15081	16030	17666	15620	23739	18222	26693	12720	20932	26291	34377	15345	966	0	430	19439	19410	0	16963	17721	19339	23623	16164	602	9585	12486	14688	21867	15575	17549	18057	14598	11353	9889	13340	13695	19015	23354	54260	64433	75152	12352	14608	14487	14776	18156	0	13137	21297	18679	18177	12226	14351	13807	15602	14963	20797	20927	14304	41223	20804	15823	46299	15448	14520	1115	22561	19428	14719	10859	14552	23246	14917	22496	14039	23291	10426	0	16955	12147	Phytochemical	0.15	0.9	0.0
22	C20 H18 O3	307.13287	307.1333	0.23496519	307.13293	24616	21555	20876	19219	21208	17556	10847	19887	15941	27137	35344	11850	16275	17514	18891	23334	18641	20089	26541	34610	32686	32544	21381	32025	18466	79766	12415	27003	20219	16454	18738	18247	21336	17409	26516	24267	17504	13566	20909	34380	40778	20625	4496	0	1382	23790	30154	0	21264	14809	21565	24110	25994	2396	12046	15463	16859	22445	14848	17438	30391	23611	12098	13349	11160	25538	31881	16160	77380	66035	87766	18069	15347	15296	13781	19421	534	14588	23885	27474	25427	14708	15656	28884	19550	16922	23202	21024	26165	32304	19825	20277	41822	25985	25005	2816	17665	24725	15737	17154	12496	21036	15508	25721	15987	31587	19070	0	23064	17574	Phytochemical	0.15	0.9	0.0
24	C20 H18 O3	307.13287	307.13324	0.1841287	307.13293	14884	17880	13561	14459	18112	10169	6355	14926	11365	14157	29013	6809	17246	9871	13974	15383	11278	18288	19062	26517	23843	15999	14568	20574	19370	62683	5622	28389	11005	15123	12970	12276	13256	13941	19654	12538	15000	7854	13320	23691	30607	14386	6437	0	0	14835	19516	0	11004	10947	14692	18643	19604	0	10966	10370	11013	14690	11379	13667	15287	18353	9651	10821	9656	21878	31176	15484	51027	32690	53541	10664	14238	9783	8096	10422	0	7828	15339	17198	12933	14307	12790	17571	12509	11475	16567	17085	15518	16135	14403	13222	30763	21126	18599	3341	15821	18176	14159	13608	13432	15121	9414	19554	13574	15912	13157	0	12069	14894	Phytochemical	0.15	0.9	0.0
26	C17 H22 O3 S1	307.13623	307.13657	0.3464611	307.13635	3154	3224	3203	3587	3363	0	0	0	0	14779	13761	0	0	1825	0	0	0	0	0	21405	11877	12806	0	0	0	5814	0	22553	0	0	0	0	0	0	14891	0	0	0	0	11253	11715	0	0	0	0	0	0	0	2141	0	3167	2161	3569	0	0	0	0	0	5319	4338	0	9670	0	0	0	2536	3260	0	6101	7781	8962	0	0	0	0	0	0	0	0	11332	0	4477	4397	11610	0	0	2702	0	2249	1546	16813	18458	0	16138	13659	0	2449	0	0	2608	0	0	0	0	7096	0	0	0	0	0	Organosulfur	0.1764706	1.2941177	0.0
4	C14 H18 O4 N4	307.14008	307.14062	-0.014082774	307.14008	9834	10506	9730	13734	7510	9955	10434	12216	6508	38664	4514	8114	7116	3352	11536	18280	17368	9639	9146	10660	9930	17506	11812	17474	18441	28957	18961	6858	18501	20425	8198	7994	15610	12207	11304	10374	11012	11220	38186	11284	15356	6190	0	0	278	11728	13676	0	24738	13818	10590	8534	8484	281	9164	4246	6214	15859	14940	9108	13914	7330	7586	6904	11674	5964	5364	19780	34864	5150	58038	10134	9968	10002	18125	10040	0	9688	29096	0	10576	7296	7014	4246	7132	6648	15062	7684	6894	33884	22937	14132	50619	7674	12520	0	10096	13046	6218	8920	8192	28463	10530	12864	0	15058	8738	323	19875	7290	Peptide	0.2857143	1.2857143	0.2857143
6	C14 H18 O4 N4	307.14008	307.14056	-0.03569579	307.14008	8678	10215	31438	8517	5921	4632	5645	12560	3490	54635	3163	3701	4735	1527	9831	9324	8418	9337	36521	6525	6360	49394	5561	42544	7639	3062	15840	18230	31158	9341	8870	10157	8006	32286	6051	31394	8972	4962	11185	36304	50971	2570	0	0	0	7235	34192	0	7302	9124	6546	5421	4411	0	3929	1749	2956	11164	3722	7222	7998	29288	3068	22239	10622	8447	19716	10137	43341	62655	79443	11799	4543	10576	17227	28268	0	4519	32101	6096	5864	17168	5606	4343	2845	4538	8172	4025	5572	18127	5459	30478	57489	5766	5538	0	8510	9463	2110	11388	2206	11418	4670	35332	0	8662	16553	0	7511	6674	Peptide	0.2857143	1.2857143	0.2857143
16	C14 H23 O2 N2 S1 Na1	307.14508	307.1455	0.25710672	307.14514	7775	8147	6841	5551	7755	3790	4509	7293	2977	6913	5735	3773	5440	2070	2888	3481	3687	6860	6817	9087	12228	5924	6760	5100	4251	15596	3834	3229	5914	5013	5485	5407	4957	4470	8524	3385	3274	2503	5853	8819	8175	3582	0	0	0	2160	2811	0	3559	5377	7038	5619	4798	0	4778	3659	3145	5013	4156	6533	0	4023	2959	4026	3533	4518	4680	4345	11023	17762	21185	3903	2665	3810	4256	3523	0	2833	4234	0	6585	4468	3241	6477	2907	3150	6490	5271	3532	0	3769	4627	0	4858	4944	0	8656	6590	4008	4822	5569	5058	2761	7146	0	0	4267	0	4855	5348	Peptide	0.14285715	1.6428572	0.14285715
2	C12 H22 O7 N2	307.14996	307.15063	0.32741287	307.1501	5379	6025	5886	6340	6873	0	1896	4890	4684	770	1857	3576	11578	2690	2203	1458	3483	7912	6275	708	1217	2781	2571	5112	1651	0	0	0	6665	3226	6119	4828	8526	8430	2027	4982	5901	2340	3177	0	0	0	8260	0	0	1402	0	0	6667	2473	4762	6268	4669	0	4398	2337	1883	6287	793	1083	1744	0	5299	3843	0	10593	4455	4040	0	0	0	9072	8625	3954	495	3202	1241	3213	2310	0	1887	0	0	0	3164	2418	1908	7561	4362	240574	7468	4156	7904	0	0	0	5680	6071	2177	2656	3312	4572	2502	952	892	4742	3008	0	889	13574	Peptide	0.5833333	1.8333334	0.16666667
0	C12 H22 O7 N2	307.14996	307.1506	0.11912321	307.15002	15180	16134	16374	12960	12583	60905	0	24394	5875	2453	1616	5634	31649	15191	3934	2494	2457	71891	17475	2643	7551	18709	7181	27663	7607	0	0	0	43640	9418	27175	31535	72147	93690	6331	25239	45145	2709	2296	2495	0	21669	7310	0	0	8206	0	0	29160	11943	14399	12628	16318	0	7817	2124	1378	28313	1208	1019	10225	0	21548	7435	2392	41448	44862	0	0	2152	0	87020	71399	19501	0	23729	1067	7696	2109	0	3596	658	0	0	1365	1597	2965	31497	24646	80049	0	10473	25899	0	0	0	15024	12945	1902	1223	1613	17896	5707	4066	1193	33693	2440	0	2782	70708	Peptide	0.5833333	1.8333334	0.16666667
2	C21 H22 S1	307.1515	307.1526	0.72714275	307.15173	5379	6025	5886	6340	6873	0	1896	4890	4684	770	1857	3576	11578	2690	2203	1458	3483	7912	6275	1406	1722	2781	2571	5112	1651	0	0	0	6665	3226	6119	4828	8526	8430	2027	4982	5901	2340	3177	0	0	0	8260	0	0	1402	0	0	6667	2473	4762	6268	4669	0	4398	2337	1883	6287	793	1083	1744	0	5299	3843	0	10593	4455	4040	0	0	0	9072	8625	4401	880	3202	1241	3213	2310	0	1887	0	0	0	3164	2418	1908	7561	4362	244951	7468	4156	7904	0	0	0	5680	6071	2177	2656	3312	4572	2502	952	892	4742	3008	0	889	13574	Organosulfur	0.0	1.0476191	0.0
16	C17 H22 O5	307.154	307.15442	0.12160595	307.15405	2187821	2359876	2320937	2310392	2039409	1634931	1945345	2115011	1843364	2938635	1988340	1479349	2229413	1414960	1846925	2601332	2398998	2748561	3000767	4032858	3986266	2347682	1974939	2519370	1732753	4513557	1800030	1781324	2083097	2019496	1989068	2235028	2798377	1790821	3111497	2201348	2660806	1566710	2496687	2590109	2786830	1772054	85913	30383	32993	1718144	1809834	35103	2542638	1998969	2433652	2391349	1911412	35740	2296044	1772824	1387580	2833918	1532347	1793720	2377935	1646868	2211857	1854388	1084246	2249241	1870500	2227389	3732852	4881075	4976197	1808688	1914896	1879928	2277912	2095086	26582	1368717	2315709	1631972	1639690	1397781	2080105	2268112	2052210	1421971	2300778	1857807	1966613	2695779	2318925	2482887	2936903	1623284	2324211	53301	2385679	2440801	1611652	1894923	2225880	2682553	1343288	2190652	966461	2255952	1831365	28840	1790104	2306277	Phytochemical	0.29411766	1.2941177	0.0
24	C17 H22 O5	307.154	307.15436	0.11986063	307.15402	215860	223458	195030	225796	227708	228564	161502	226389	229607	237259	126555	153406	355680	189849	216087	223839	166986	369517	384433	270281	238362	202617	222982	238721	170561	172233	143748	132905	229459	198975	183578	243998	280632	202117	277815	244447	338545	154597	183890	188447	153613	160077	35847	23178	41823	155678	115253	27357	253059	179210	220937	217605	201662	30853	312160	217692	141685	272103	180808	110227	260031	127378	302005	228252	112128	318654	201651	165218	156374	244651	222090	214634	206203	190916	162839	222809	37659	169908	218122	103994	181058	116883	161064	141241	235972	149771	210492	159820	210343	181899	284376	264436	300599	120921	185964	27302	219270	230699	178075	215124	220548	285126	151431	217528	108778	209439	158204	26793	151751	322285	Phytochemical	0.29411766	1.2941177	0.0
20	C17 H22 O5	307.154	307.1544	0.13625796	307.15405	1848333	1979834	1870930	1634256	1731365	1633237	1241886	1726957	1689249	3376281	1818276	1062622	2247885	1366573	1550626	1837416	1377064	2529293	2674939	3894433	3810479	2053584	1362120	1733605	1299522	2231965	1248267	1787377	1943537	1579271	1395508	1760340	2342794	1732967	3341411	1607335	2498151	1140299	1422369	2243365	1765058	1447493	79920	39080	30431	1415720	1135209	42261	1833968	1304895	1832772	1916598	1628542	31579	2171438	1580389	1133787	1874611	1528255	1025230	1761917	1437413	2028486	1775903	869921	2062954	1574188	1430352	1791293	2730209	2672641	1526400	1557874	1517682	1470013	1616867	26302	1189945	1538249	1232399	1176263	870243	1460365	1526997	1515728	1130172	1542233	1450754	1570567	1459226	2358121	2410235	2062055	1381320	1885058	51743	1952853	1955932	1330684	1599893	1705659	2322011	1151807	2011886	999459	1531119	1336302	38096	1195976	2272024	Phytochemical	0.29411766	1.2941177	0.0
22	C17 H22 O5	307.154	307.15436	0.13863942	307.15405	741191	739683	648412	694203	763872	766439	508899	719374	761230	986904	502778	440296	855622	569869	676106	696203	471565	1227503	976540	1075097	984367	764029	641514	752430	655842	578655	461362	507473	816910	645291	650208	772829	970317	717073	1003085	758329	1133248	559940	520376	658014	496727	559668	65105	32683	38908	522969	375367	34935	819297	567448	755306	737405	706358	31801	1041166	665928	536150	818809	614252	360870	744614	475601	885259	752143	373373	888142	700227	484017	502538	937583	771553	660555	585502	622886	417892	699851	31309	499140	651402	370438	519985	347721	544391	435417	669341	504091	663390	548291	681019	577754	910619	937471	861505	432564	683589	46004	656984	750214	591343	705528	703449	885256	512697	766353	398686	664896	570106	39991	528015	1061888	Phytochemical	0.29411766	1.2941177	0.0
26	C17 H22 O5	307.154	307.15442	0.17768355	307.15405	106574	93620	80312	85523	91749	78653	67953	105929	99388	81815	51695	73308	142350	87782	84336	113375	80759	178032	154670	122812	107882	96255	81967	112661	76536	79023	65990	64691	107289	114019	94184	105921	130795	87517	101671	125819	129254	68079	82409	88766	61254	86346	15900	19275	31812	69420	50867	22299	120575	91695	99264	93940	80476	22079	118773	98794	69469	132042	63503	48740	124914	48676	104909	91498	47927	119955	84217	91536	73420	102950	99111	89137	85321	106189	90808	119218	23424	76553	86036	48407	72903	56502	74115	59368	102855	67094	95024	80928	89445	80074	120724	96350	130332	41628	74454	27863	92592	105749	69351	116625	125249	133574	78855	99837	53640	81131	66515	19813	65820	102821	Phytochemical	0.29411766	1.2941177	0.0
18	C17 H22 O5	307.154	307.1544	0.14636251	307.15405	2780036	2801744	2654148	2438990	2298029	2035242	2081309	2421440	1942259	4047368	2603813	1556642	2945638	1756431	2097281	2837555	2231694	3432365	3748039	5109450	4656130	2691744	2115156	2657272	1753798	4178668	1921979	2497477	2588100	2116781	2129331	2462750	3304152	2481252	3718389	2436422	3283476	1719245	2398872	3167828	2903017	2109972	98515	29043	34149	1904502	1701026	33960	2742939	1933894	2656632	2651406	2232558	35346	3083348	2152156	1621593	2920764	1787530	1696996	2552680	2101304	2723026	2286698	1332031	2763727	2249445	2427370	3541860	4619375	5043962	2033506	1851833	2050906	2321896	2376705	25550	1543364	2339284	1807206	1909547	1454971	2011748	2300036	2243180	1898648	2416699	2050507	2314859	2268062	2971733	3126311	3100350	1696558	2803298	54836	2705129	2700693	1883536	2186201	2309579	3186555	1525111	2688234	1069257	2098616	1773003	31501	1808820	2604205	Phytochemical	0.29411766	1.2941177	0.0
6	C17 H22 O5	307.154	307.15457	0.13414532	307.15405	94088	44029	34215	81104	53038	54650	42905	54424	67246	66130	78162	74674	60394	54216	96612	84096	46389	68830	71988	88354	44618	55444	48720	106572	72132	33308	33434	33089	47009	107314	87736	46185	96696	68978	93794	102746	84008	40550	60031	67512	43158	67256	18675	14013	18864	109598	103776	16506	90650	102132	39987	92586	58462	15901	90398	74614	64058	112030	44223	95154	107050	57618	68726	25639	43620	59300	52774	111132	46470	72888	103038	38251	85650	101180	51876	113186	15320	34012	82036	24031	45012	107890	103896	57046	74950	29622	93668	58760	68602	59707	42151	86076	102828	34910	80068	18273	72996	81434	59314	77294	44138	53106	97320	43878	44148	42070	56806	13830	83138	55648	Phytochemical	0.29411766	1.2941177	0.0
12	C17 H22 O5	307.154	307.15445	0.078558266	307.15402	1648166	1890472	1722936	1762486	947422	368077	1470886	1602836	1025304	1322392	525680	921652	417419	295816	1141542	1202923	1788614	589630	1565324	1907944	1810882	929393	1289446	1950350	1149096	2131188	1731786	475101	1616508	799845	669433	1671946	1588408	1196078	1438176	1464168	1584918	1163700	1978704	1348940	826595	983146	35557	21137	23440	1305548	706362	27322	958517	1632704	1773780	1834812	486339	20987	692564	486701	872632	2003448	540072	689229	1048616	404790	626313	503765	327405	1083586	924680	1825316	859872	2280858	2504474	1128134	1227304	729286	1992756	1646422	16023	1083524	1584786	428110	1461840	1129462	1449672	1071712	583206	436211	1718172	826434	1044370	2287578	791112	1707284	1016135	440819	1672054	34229	1839830	1691582	515843	1105014	1255010	882988	1042108	879978	383298	1378576	1046864	22254	1296442	588604	Phytochemical	0.29411766	1.2941177	0.0
8	C17 H22 O5	307.154	307.1545	0.09693439	307.15402	233190	126380	160682	219142	117124	106214	190106	131122	156426	164786	133858	175436	128128	49997	205022	129672	271596	134660	94006	239792	210372	273720	216120	301822	173456	115338	183430	142084	233810	115065	204774	226824	218472	155230	208208	242074	92450	198294	293776	203270	208178	149452	21214	14227	21812	270768	118362	18530	240856	243762	103088	223510	70192	15100	216110	156106	148490	254208	100575	219360	137268	139256	74358	143220	54786	128492	116332	259984	114172	110710	140855	183984	101774	220384	185420	261636	14604	84803	296604	69161	248746	216354	267904	81099	90095	57137	247592	110152	74017	162978	88652	227990	144803	164382	214104	21083	217734	239762	75782	199016	105501	229562	204514	268284	79859	196538	72386	14193	229100	115824	Phytochemical	0.29411766	1.2941177	0.0
26	C14 H26 O5 S1	307.15738	307.1576	0.14446934	307.1574	2413	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8674	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13304	0	0	0	0	0	37486	0	0	2689	0	0	0	6261	0	0	0	0	4284	0	7729	0	0	0	7311	0	0	0	0	0	11614	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5333	0	0	0	11498	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.35714287	1.8571428	0.0
2	C16 H22 O4 N2	307.16522	307.16583	0.107752115	307.16525	115238	116910	104907	103772	34232	50460	84571	163287	34482	113882	64773	97122	40098	27970	140051	120783	137973	58161	71593	135373	163240	149420	112044	155886	88806	67801	63221	52637	145502	120213	136424	132275	149606	105208	150971	125240	151132	110150	150005	182256	265960	63617	821	0	0	83527	119203	0	163845	129594	105492	105197	48564	284	57074	19374	31240	143964	40995	114520	118022	114550	35507	45077	31525	47969	68470	174507	64289	115460	116346	117357	113325	119814	102228	110391	0	101004	102243	62430	87906	47610	83636	101687	22651	35493	96477	61740	64117	187477	115048	134107	218189	96215	126451	714	112301	120393	24943	19530	20013	134585	97471	198751	68144	144187	25877	363	104702	44478	Lipid	0.25	1.375	0.125
4	C16 H22 O4 N2	307.16522	307.1658	0.119141065	307.16528	170886	182681	171756	165115	88659	123807	149208	348282	72314	166644	85512	234332	70926	53195	198743	209935	209642	119389	152768	203548	198142	215255	120846	234541	147066	100395	160698	70550	227611	151278	223615	188491	245238	157437	224902	197681	237019	177521	229643	167349	151945	96194	1389	269	295	138941	130634	0	282427	301637	179461	144607	108774	424	106628	31960	75248	192703	33630	55544	192772	99885	61603	73610	44391	86754	91474	223609	87367	164898	160650	191759	139981	209464	236405	185173	0	212196	147057	96647	121580	56238	83001	101478	51422	69788	159378	100421	113566	277486	189831	147163	322434	104761	189422	1012	162359	196698	60992	40054	42325	226647	208752	208487	73128	172035	63065	370	135098	101819	Lipid	0.25	1.375	0.125
18	C16 H22 O4 N2	307.16522	307.1656	0.027979609	307.16525	24424	19723	21424	23851	28371	28005	19240	30386	9671	18716	17770	13716	10307	26358	19919	29446	25475	19823	17627	21833	20765	36928	18342	30095	17343	14168	15308	17094	32274	20469	27223	27696	41825	27026	22038	24313	53235	11349	25148	46202	28094	25288	666	300	486	24381	18076	529	29797	18363	28227	26870	26312	414	11320	7683	21265	33475	17903	19306	27778	23415	9891	14169	9724	20661	32202	31364	11233	19164	21721	20837	16973	16655	19321	22613	0	15240	18590	21462	10841	14300	16804	17711	7356	7107	20232	27588	20617	37172	48240	48060	41716	22053	35204	0	24446	28380	7499	7192	9427	49593	13295	35644	9269	29115	11615	462	20994	17227	Lipid	0.25	1.375	0.125
8	C16 H22 O4 N2	307.16522	307.1657	0.04554089	307.16525	280962	320981	261817	307499	190354	175179	387233	343372	168438	232467	121467	178914	134557	180532	296444	367631	148943	375140	393487	289566	239776	228865	198794	344795	299288	135048	383065	152293	488022	351380	358957	584014	801530	440623	342891	498795	824236	262813	208040	201523	193487	156820	0	346	0	187400	156189	339	500001	288361	285567	300214	258359	684	184743	57551	103037	375853	42761	80824	391647	104491	97957	127983	93826	180347	219777	196249	102447	245924	224203	332343	358752	392531	228979	391005	0	252174	162950	109689	156136	74474	79633	133577	80431	154377	174860	334970	300555	279085	191552	172325	434271	115596	194941	955	293967	308710	111146	56228	61685	706896	228820	191535	62383	411011	109745	365	227410	186382	Lipid	0.25	1.375	0.125
6	C16 H22 O4 N2	307.16522	307.16574	0.056404173	307.16525	229807	244319	214311	221502	98409	113266	218140	297767	87977	278560	133434	129382	89081	53102	208819	271494	188456	137136	191503	325652	296311	266524	166482	299211	232447	152060	194368	132499	302144	243515	261027	323759	396437	267625	355658	278367	419340	172157	269708	214972	211748	103518	1101	295	0	199875	171591	311	333839	236812	229154	227728	119446	478	121814	40387	59378	284140	39786	67179	268285	127027	71353	82609	51641	102183	131525	272398	117722	300461	252140	240131	235217	267042	197972	237165	0	160139	152454	124682	132995	70758	87186	158096	57878	79516	182737	122959	136929	348157	312916	261458	460457	152769	256905	471	213694	212359	52629	44317	60636	352712	152393	241758	86295	280048	71188	0	180771	189058	Lipid	0.25	1.375	0.125
22	C21 H22 O2	307.16925	307.16968	0.20016377	307.1693	26263	32343	24099	26533	26304	15173	16937	31843	17321	19292	28233	24652	9785	14097	24062	40297	37647	13381	24591	22494	25649	27504	27577	36189	25326	50599	21503	20806	29903	32550	25054	33572	33583	25044	22264	31159	32730	24577	37474	25613	35499	24441	0	0	285	19797	23543	0	34070	29138	25068	25660	22022	0	17105	11941	21011	34469	16506	23786	34803	14044	8988	11098	16410	14046	25896	43014	45446	42379	61322	27696	22763	27085	28517	33499	0	19407	32057	20135	23452	19700	23298	17366	20329	18866	33897	26027	26436	43344	28184	21991	36566	20820	21276	0	19840	23113	18402	25202	20869	40001	23259	31235	16144	29190	17583	0	27360	15952	Phytochemical	0.0952381	1.0476191	0.0
20	C21 H22 O2	307.16925	307.16965	0.116448335	307.16928	17811	23482	18769	11494	14689	9864	18756	21018	8763	10677	9596	14254	8649	8247	15089	25980	27232	9244	12763	18360	14358	12731	14740	20326	18375	36048	14033	9852	24449	22833	18566	20575	22092	17769	10697	19660	23974	16084	32741	14953	22078	16250	515	0	0	12883	11416	0	20285	16989	19384	14535	14430	0	8416	11500	11156	25135	9685	16129	20393	4548	10383	8711	9804	11219	14287	35209	17265	24775	30744	10251	15315	20140	25729	20317	0	12721	27556	11775	17809	9915	16329	13847	18187	11666	26704	14415	16319	39650	19579	9177	20046	13713	9643	0	19467	14488	11569	13374	15899	24084	15671	18911	7084	15784	13368	0	22748	10975	Phytochemical	0.0952381	1.0476191	0.0
26	C21 H22 O2	307.16925	307.16968	0.2024988	307.1693	18080	16606	14117	14212	19118	10875	9202	24232	12088	8099	20967	13377	10588	8247	12590	16951	14999	11995	19213	18254	13945	15672	14343	18101	14660	44847	7470	25598	16718	21107	16796	18667	20539	13372	16962	17485	18752	12134	15693	16261	20144	22818	0	0	0	12230	10569	0	16242	17021	15893	15188	14515	0	9933	12701	10534	19256	11641	9765	18379	11522	9330	7979	7328	17321	33487	15211	35380	23652	29842	12456	12370	11775	11745	19369	0	12999	17834	18447	12110	11614	16570	17969	12138	10224	26636	15442	15959	18372	11989	14106	22142	15315	10974	0	16677	10684	13287	15127	16230	22228	9068	22789	11219	14957	14318	0	17341	9142	Phytochemical	0.0952381	1.0476191	0.0
18	C21 H22 O2	307.16925	307.16965	0.05644293	307.16928	7237	8382	8950	8915	4190	4942	10524	16187	4267	4487	9036	10867	2437	3397	7116	17071	21936	3771	9929	7793	8527	7881	8689	10497	7514	14237	11474	5919	9183	10531	7514	11563	9963	9214	6681	9824	10377	8274	22250	5317	7505	8345	387	0	0	7202	9354	0	13935	10391	13321	11513	8198	0	6581	6408	6495	16130	5849	11679	11830	1883	4845	2992	6235	3406	6591	21886	7093	7329	17814	5541	8173	10884	16173	10137	0	8433	14318	7050	11436	7520	9465	4190	11699	7277	12619	4607	8658	28992	8345	11482	17901	3039	6069	0	8441	11293	7433	9760	8636	11673	9881	7483	3666	11849	7486	0	12308	1939	Phytochemical	0.0952381	1.0476191	0.0
24	C21 H22 O2	307.16925	307.16965	0.17442009	307.1693	30941	32240	24801	25114	28324	19664	17724	41435	21828	26444	32184	25052	19911	22145	26959	43119	36644	23982	35170	27581	31702	29255	26453	47005	24720	77985	18883	32312	32609	30813	27320	37052	37656	31953	25423	40386	36073	25736	35483	29434	41025	32926	0	0	0	30281	24121	0	38255	36462	28013	29890	30003	0	19929	16107	19590	36762	18454	20082	40486	21867	18129	21164	14357	32063	43271	32531	63642	54556	69274	28170	25223	31210	26892	32061	0	23708	31462	24677	29452	21210	20745	26409	24346	18539	40130	27775	29649	47300	26854	19574	44914	24547	28325	0	24991	29318	21267	23081	25050	43750	23793	39985	18199	39183	21446	0	29895	14408	Phytochemical	0.0952381	1.0476191	0.0
8	C14 H26 O7	307.17514	307.1757	0.066460416	307.17514	4399	3218	2978	3053	0	13012	0	0	0	0	4578	0	0	0	0	2273	0	0	0	8283	0	3990	1550	1481	0	0	0	29259	0	0	0	0	0	0	0	0	0	0	0	6005	2832	1459	461	0	332	15684	21793	0	1313	0	3216	0	0	563	0	0	0	1806	0	0	0	6113	0	0	0	0	0	0	11963	14019	49546	0	0	1151	0	0	472	0	0	44935	956	0	0	0	0	0	0	0	0	0	0	15812	0	3883	15053	0	2598	3362	0	594	0	0	0	12511	0	0	0	0	665	0	Lipid	0.5	1.8571428	0.0
0	C13 H26 O6 N2	307.18637	307.18692	-0.014837407	307.18637	2479	2707	2105	2620	5631	0	0	4338	3233	0	0	1777	12988	3974	1969	0	1395	14088	8232	0	956	3445	2135	3544	1703	0	0	3508	6433	0	4135	4078	11396	4494	1309	3464	5136	1341	1850	0	0	1557	0	0	0	2840	0	0	6523	0	2630	3550	7221	0	3111	1450	0	6237	740	0	2386	0	8450	4092	2189	14127	5181	1853	0	0	0	5745	5496	0	0	2322	0	2469	0	0	0	0	0	0	1601	1876	1379	5674	6346	26224	8179	2676	5178	0	0	0	2642	3546	1363	1569	1775	2451	0	0	0	5016	2500	0	1944	19348	Peptide	0.46153846	2.0	0.15384616
26	C18 H26 O4	307.1904	307.1908	0.13780202	307.19043	180435	169276	170940	158849	195885	129910	213192	184493	165528	132571	130545	113718	211259	171543	169523	208403	151909	205960	265710	194525	185081	140993	127736	160965	189555	135252	192889	171022	213584	190734	179283	212018	257652	168827	162210	235508	250628	151210	168458	140930	125851	158634	22853	20344	29351	125230	97302	20861	233973	149560	175859	173617	167312	27360	224785	190441	117128	290800	154399	86252	225222	94707	174324	160904	103282	226054	218854	178930	119900	148795	150118	150397	176695	201654	140084	205782	24370	132360	174937	129529	114623	109439	175652	146097	186459	123319	276177	130643	151547	163488	298814	267474	218827	99234	141203	20397	169390	179976	146229	215364	215584	282551	119364	178426	139585	156678	153905	20717	183434	159152	Lipid	0.22222222	1.4444444	0.0
10	C18 H26 O4	307.1904	307.19086	0.13559759	307.19043	16947	15772	10018	11873	6753	7980	14748	21302	7276	2706	10217	13649	6041	8102	14976	26090	20996	7876	12231	8744	8059	15595	13934	19390	17625	7520	20256	7447	18907	18928	15082	17372	12878	10840	11164	21018	15445	14930	27728	6282	9014	7740	5183	3800	4522	12327	10459	5258	13641	18091	14025	18834	10619	3560	10945	10193	8831	25291	7953	10882	17745	4597	6572	7307	7256	8698	9081	26967	0	11569	9173	11572	11644	17402	30803	18050	3532	12642	13204	7371	14775	11383	15365	6837	13704	9264	19229	6502	9845	34008	13610	11207	21713	9106	9663	4411	11898	14363	8835	17433	19037	17501	13462	11708	0	13398	10308	4134	17624	5109	Lipid	0.22222222	1.4444444	0.0
12	C18 H26 O4	307.1904	307.19083	0.11294853	307.19043	62403	64042	55657	66815	16530	18924	61788	45276	23214	19732	30138	29416	15124	17229	35839	93028	80306	18902	28329	31503	18423	54752	37833	70269	42123	21860	101276	16535	40835	64643	35166	76978	40615	33834	24113	59828	52433	43249	84731	18392	41880	28871	4921	4071	3497	30450	35877	5168	60590	69229	62313	70922	23005	3319	28244	25629	24945	89212	24465	29232	50922	11336	24499	16448	21116	20651	19018	91505	0	20845	24918	28052	34460	65510	122309	66863	2189	31950	50735	31186	42855	23269	41347	26150	37947	28509	68565	21477	23829	142139	60603	61688	79065	21931	53461	4372	67224	61260	24381	35041	42008	76538	33091	53633	0	50225	25829	4001	51118	18818	Lipid	0.22222222	1.4444444	0.0
10	C17 H26 O3 N2	307.20163	307.20212	0.16037181	307.20166	10441	9004	9471	9078	6988	6154	7060	17439	2901	9601	3407	6080	1813	2433	8704	13652	8823	4721	6124	9744	9554	9945	7640	19457	13593	7412	5466	8639	9964	6964	9075	15640	15383	12684	13560	9647	15556	7652	9796	9767	5037	5495	0	0	0	5961	7300	0	13303	7496	9490	9333	5761	0	2214	780	3119	18304	0	0	13822	2190	1020	1531	2696	4024	5352	15238	0	13467	8150	12532	8057	6968	9288	8139	0	5425	16060	5947	9110	1215	0	5430	2056	2505	18238	7112	6904	27496	18643	2304	28096	6238	10353	0	6347	8078	0	1232	799	10836	6085	9399	0	17030	2024	0	11332	2615	Lipid	0.1764706	1.5294118	0.11764706
14	C17 H26 O3 N2	307.20163	307.20203	0.13790882	307.20166	8368	6721	6708	7388	3482	1684	4658	10101	2393	4944	2526	5858	0	3528	3778	11861	11185	0	3199	4412	4929	0	2355	8578	5747	5442	4370	0	15302	20812	10866	21163	18017	24431	7601	24019	14265	3017	9294	3319	4507	1130	0	0	0	2011	0	0	18238	9749	7079	6224	2040	0	0	878	751	12819	0	0	0	3214	0	0	1392	2430	4363	8804	0	5319	8465	13883	25155	32105	8035	21538	0	6718	5452	0	2539	1244	1630	2654	0	0	7849	3562	6738	18766	17998	2263	11285	4204	4655	0	6538	4713	1732	0	1197	15176	7132	3718	0	6024	0	0	5508	0	Lipid	0.1764706	1.5294118	0.11764706
16	C17 H26 O3 N2	307.20163	307.20203	0.13550565	307.20166	3596	3543	4291	2246	0	1559	2484	3515	0	2511	2153	2054	0	1426	1769	10718	5338	0	0	0	0	1669	2816	6423	3216	2819	3111	0	3776	3463	3293	6939	1701	4550	3770	2783	3364	2192	8804	1946	5846	1287	0	0	0	4298	2269	0	3157	3293	3867	2410	1856	0	0	0	1008	4949	0	3968	8134	1650	0	1432	0	0	1881	8299	0	2178	3685	2461	4409	2194	4995	4668	0	1652	2485	0	0	0	1499	1576	0	1420	24935	2808	1276	0	7286	3527	0	2838	1930	0	4188	1593	0	0	1394	3570	1789	0	0	0	1387	0	5006	0	Lipid	0.1764706	1.5294118	0.11764706
2	C17 H26 O3 N2	307.20163	307.2022	0.12381125	307.20166	8286	7965	6292	7137	424	0	6193	11702	551	9908	3994	5037	590	1552	6601	12248	8104	1865	2532	10534	11183	8238	4832	12781	7541	6615	4886	5095	9053	10403	8285	9584	9332	9332	12140	9372	7096	5238	10296	10737	7607	0	0	0	0	5559	7423	0	9490	9598	5868	8236	1334	0	1016	294	1349	11014	412	1122	10604	4887	0	646	0	1314	2024	13353	6355	9877	9745	8765	9606	10632	11113	9081	0	6399	7246	4732	6170	1911	2728	5718	416	1341	8222	3441	2345	19458	13041	6132	21556	6593	9294	0	8459	8323	954	347	295	7876	4307	11064	3490	9668	515	0	7435	778	Lipid	0.1764706	1.5294118	0.11764706
6	C17 H26 O3 N2	307.20163	307.20215	0.145089	307.20166	14287	15385	13881	14237	3796	5649	7402	18423	3043	28847	8529	7070	2194	3357	10986	26293	16219	5177	9870	22168	25229	16790	9413	22753	13818	15852	9200	10797	15768	12629	12828	16436	20271	13705	33448	14913	19911	10605	16377	14940	7589	6110	0	0	0	12459	11275	0	19077	15815	14577	14902	5868	0	4714	830	2931	25217	0	731	20911	8795	3036	2438	2595	3520	7901	20242	10355	25325	20558	12630	11892	11505	15198	12268	0	9000	11134	8883	8858	2055	2016	10853	1075	2745	13737	6721	8072	36206	33075	8492	37621	9707	21588	0	14071	10935	2061	776	1414	18502	7970	14726	0	18766	1285	0	13055	2745	Lipid	0.1764706	1.5294118	0.11764706
4	C17 H26 O3 N2	307.20163	307.20218	0.107690506	307.20166	10331	12308	10187	9821	3080	3962	7585	13049	1620	13851	10917	7884	2997	3774	9084	15848	11904	4476	5330	14909	16730	13353	7720	21837	11195	12200	7553	29366	11125	9595	8233	11301	10674	10299	19309	10386	10875	7493	13809	12338	6654	4498	0	0	0	8607	7078	0	13207	11737	10835	9565	4747	0	3498	1348	2100	14928	0	454	18012	6808	2409	2507	1612	4708	4048	15212	8758	12364	13413	9918	8902	12349	13694	8882	0	9994	10735	11884	7375	1678	2151	8003	917	3050	10882	5143	4693	33666	40343	12826	34101	11083	19406	0	10183	13028	1435	1034	1099	10641	6339	12549	4463	14564	1400	0	11777	1259	Lipid	0.1764706	1.5294118	0.11764706
12	C17 H26 O3 N2	307.20163	307.2021	0.16201156	307.20166	4609	4553	2611	4436	3656	2469	3652	5902	1160	6754	2134	2414	1580	1446	2242	11722	8601	1356	3102	7168	7962	5194	2993	6158	5700	1999	0	0	6487	4115	4236	7392	8271	6350	8293	6074	9127	4532	6196	7187	0	2027	0	0	0	3362	0	0	7413	3258	6290	3249	2992	0	0	0	0	10632	0	0	0	0	1122	1142	1283	2041	2659	7155	0	3950	4900	6735	6203	6774	3832	6145	0	2867	5800	0	3107	0	0	4390	0	1323	11643	2641	3192	35922	11008	2432	19389	3483	4236	0	4174	3617	0	1128	0	3929	3517	3407	0	10567	1990	0	8411	1310	Lipid	0.1764706	1.5294118	0.11764706
8	C17 H26 O3 N2	307.20163	307.2021	0.10220609	307.20166	14673	14157	14526	17269	5226	5332	9493	18656	3899	20537	8924	7981	3071	3695	12553	27952	14509	5067	9219	26996	24852	14873	12455	26067	16644	10458	12100	10821	17912	12164	15010	22387	15871	17575	27563	14837	20874	11040	16198	18221	6349	6873	0	0	0	12541	9154	0	22440	14854	13902	15236	5261	0	4255	0	4342	31641	0	1027	24567	6080	2048	2883	3494	4667	8019	24048	6488	20065	13142	15901	12130	11547	16299	12825	0	7969	13288	8340	11059	1013	1184	9705	0	4214	13723	6829	8372	40033	28579	9873	40706	10956	17516	0	13468	17248	2459	761	0	16870	8096	11648	0	18095	2206	0	13772	3523	Lipid	0.1764706	1.5294118	0.11764706
20	C17 H26 O3 N2	307.20163	307.20206	0.083422504	307.20163	0	0	0	0	32028	4666	0	0	0	2124	2009	1300	0	1436	0	4138	3561	4875	0	0	0	0	1273	5486	0	0	0	1846	0	1907	1397	1856	0	1306	0	0	3254	1026	3846	0	1811	1246	0	0	0	0	0	0	2396	0	0	0	12796	0	0	0	0	2057	0	1829	4313	0	0	0	0	2191	0	3236	0	0	0	0	0	1537	1403	0	0	1127	0	0	0	0	0	0	2483	1361	0	2070	0	5501	0	2900	3353	2030	1774	0	1844	1655	1572	0	0	2050	0	1913	0	0	10502	0	1319	0	Lipid	0.1764706	1.5294118	0.11764706
24	C22 H26 O1	307.20563	307.206	0.12099512	307.2057	9828	12194	8253	9194	10705	3840	9469	11359	5949	5522	6289	7311	3371	5486	13488	20677	21824	5617	12533	3817	4384	4194	6307	12118	12906	17579	7371	9537	10791	13147	9798	14010	11378	6331	8745	12953	10256	13939	27507	7824	6942	48979	0	0	0	5817	6693	0	15009	13511	9658	8511	8061	0	7197	8048	8350	12167	3557	7379	13558	2544	2208	4832	3653	7296	5881	26422	8921	9924	15480	6925	5939	12672	14577	13012	0	10185	14262	8112	9083	5744	8407	4285	11684	10996	19319	8167	8587	24858	5183	8332	10904	6429	6903	0	9423	12250	8412	9635	12295	12551	10160	7866	4305	9268	8342	0	13594	4377	Phytochemical	0.045454547	1.1818181	0.0
26	C22 H26 O1	307.20563	307.20602	0.1578612	307.2057	7650	9741	8720	9648	6106	2874	6733	12316	6190	2047	11060	8264	4113	2472	11773	20708	19574	0	11977	6618	6670	5831	6171	9838	12803	23579	9340	10558	10135	16385	11221	11625	12062	8155	5649	20075	9706	11698	18276	5918	7020	50843	0	0	0	5253	0	0	13723	10686	10898	8710	7483	0	4827	5731	7652	15204	4141	4691	8127	2933	2068	4746	4708	5469	10674	18027	13954	8476	19031	4724	8536	13436	14313	14028	0	7879	11841	9465	6964	7527	5298	7392	7650	9360	17992	8732	6563	11951	6620	5069	10526	10268	0	0	9288	12449	7490	10211	10130	18308	12000	6816	0	9726	6729	0	10927	3577	Phytochemical	0.045454547	1.1818181	0.0
22	C22 H26 O1	307.20563	307.206	0.06982282	307.20566	3383	6232	2956	5898	3920	3508	6861	4874	1548	0	3935	3395	0	0	6993	8442	17739	3732	3930	2880	2017	2425	4589	4513	4756	7762	6799	2059	5346	9018	4821	5956	4672	3583	0	8709	4832	4876	15180	1401	3187	2497	0	0	0	1989	2121	0	5823	7170	6102	5277	3599	0	2064	4372	3847	7536	2000	7013	3308	1200	1987	3131	3242	2729	1864	21364	4741	3033	8901	2857	3936	3376	10811	7969	0	3940	6166	3831	5031	1489	3429	3548	4514	3149	10011	4764	3661	19262	4757	4942	4561	0	0	0	7101	4471	3726	5812	5249	9347	5407	3461	1420	4370	3861	0	7730	0	Phytochemical	0.045454547	1.1818181	0.0
26	C19 H30 O3	307.22678	307.22717	0.12692674	307.2268	185416	169255	174538	176405	138257	114822	525452	152837	111552	130216	283499	69009	108234	263589	142290	156195	168517	103902	147544	179254	158711	128105	77476	103240	139447	187067	532058	613878	176635	172926	110598	173294	193020	125434	163887	194187	139995	146580	183060	131314	166760	191352	38803	11200	15470	137427	139331	12733	197828	164302	185674	169863	116782	51659	119048	143762	169187	197534	129965	132395	178114	110078	148894	88998	208006	213374	263300	196357	132583	134591	146859	93296	117066	196209	146364	165929	16426	93441	117146	483943	68987	352023	223563	203630	140261	211714	278995	131615	129017	259204	500885	455424	148507	189965	150076	18617	179229	206926	236105	127767	190868	207822	74522	192230	335598	104572	158811	9371	154852	147091	Lipid	0.15789473	1.5789474	0.0
20	C19 H30 O3	307.22678	307.22717	0.12669605	307.2268	25283	30436	33764	27649	15902	13560	108185	29425	10486	9254	13248	13681	5296	60034	17550	36568	64492	10051	19959	13089	8350	12479	9813	13161	20436	30528	112716	28700	27579	27178	12278	24676	22324	17561	6623	31144	18171	21806	69010	7130	18538	20226	2216	0	292	9802	16067	0	25569	21214	23036	23806	15204	2630	9930	18731	31395	31697	7452	22598	29037	5372	16309	7360	53953	21114	32928	61340	8816	12168	17986	12021	18504	30908	61140	24972	381	14732	26574	102402	16322	17929	97914	106619	25885	54208	47226	19089	17486	90516	76108	69415	27548	20343	14841	1119	30123	29049	20872	32841	79635	31322	13898	19044	11292	20835	33834	0	27572	11315	Lipid	0.15789473	1.5789474	0.0
18	C19 H30 O3	307.22678	307.22717	0.13839512	307.2268	3772	5276	6137	6723	1384	1946	22489	7375	1706	0	3057	2421	2724	7682	4439	11096	17777	2334	1922	1960	0	2363	4210	1891	4659	3390	23901	5454	5582	7863	4063	7709	3034	4242	0	6907	4187	5188	21210	0	2266	5218	342	0	0	0	1405	0	6588	6516	5884	2935	1735	395	2025	3114	2440	8645	0	5129	9857	0	2907	1840	6199	1771	4410	20722	1831	1995	3039	3267	4192	8425	18496	6981	0	3045	8487	41111	2925	2623	19134	22981	3801	4229	10680	1815	4422	26921	30000	13674	5792	3041	2165	0	5419	6118	4400	4956	6699	6069	1537	1685	1526	4602	3744	0	7692	0	Lipid	0.15789473	1.5789474	0.0
22	C19 H30 O3	307.22678	307.22714	0.095506586	307.2268	100210	106060	94157	98992	54425	57641	553092	94168	35565	60679	69792	53533	38150	212439	110990	123377	177900	48344	69483	50601	54783	58999	58675	54108	90504	131732	574709	135838	93877	93816	58269	102459	82193	71803	47944	103933	70922	96115	178200	43936	78615	79168	11440	0	2008	65553	83145	0	100289	88506	104813	88647	60367	12085	45181	62116	82411	123994	35635	91736	118818	35058	75608	33584	153880	89439	152162	186929	52852	81846	95570	60069	69210	96092	155298	99882	2277	53434	78149	223839	42311	93778	259766	287811	77635	135902	147248	75118	69143	282544	267839	226567	106649	74532	84602	5462	93003	112666	74013	68693	104215	103134	48484	87204	61741	75193	86030	0	99351	52302	Lipid	0.15789473	1.5789474	0.0
28	C19 H30 O3	307.22678	307.22714	0.087119855	307.2268	27984	23795	24693	22706	23738	18476	71174	28154	22903	17260	32891	14786	21696	31166	25424	28544	30533	19970	29176	26194	20004	21936	22297	20638	33484	32241	52415	77225	32739	32445	20581	27536	29733	22773	24387	38614	22740	24437	27187	19535	20536	42388	10419	6545	14433	23307	19938	7321	29224	30378	23918	23946	22517	13107	27572	26471	22090	34427	30008	19566	30344	20799	18350	19315	25148	34073	47319	27813	25726	20421	16103	16955	19604	36636	20739	27319	18622	18032	29016	68403	14451	51913	28617	25835	26875	28217	51689	21737	19179	38166	102600	87508	26709	33669	23769	7079	26320	31290	25589	26826	41809	37919	19913	32782	63915	25128	29820	7058	26597	19216	Lipid	0.15789473	1.5789474	0.0
14	C18 H30 O2 N2	307.238	307.23834	0.14258493	307.23804	0	0	0	0	1426	3177	0	0	0	3318	0	0	0	0	0	9444	0	0	0	0	0	0	0	24070	0	0	0	0	0	0	0	0	2028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3157	4324	0	0	0	2461	0	0	0	7573	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3391	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.11111111	1.6666666	0.11111111
24	C16 H34 O5	307.2479	307.2483	0.14366946	307.24796	1820	1645	1173	0	8856	7813	0	0	1623	1268	0	0	2164	45784	2301	1635	0	4584	1797	0	0	0	0	0	0	0	0	0	1449	0	0	4341	1060	0	0	0	0	0	1068	0	1177	10954	0	0	0	0	2150	0	1203	0	1011	1617	42525	0	3225	5073	2667	0	3166	931	0	0	0	1785	0	2056	32481	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10950	5394	0	3643	1511	0	0	0	0	1697	1544	0	0	2094	0	0	0	5699	0	0	0	0	0	Lipid	0.3125	2.125	0.0
22	C16 H34 O5	307.2479	307.2483	0.16967827	307.24796	1471	1796	2587	2420	4613	2477	0	0	0	3673	1600	0	3313	7048	0	0	1583	0	0	0	1714	3505	0	1823	0	0	0	6956	4411	1550	0	0	2181	1738	2545	0	2355	0	2303	0	2870	24383	2674	0	387	2012	5452	0	2125	0	2650	0	1586	4244	0	1382	2345	0	0	1057	0	0	3038	3079	1935	5262	5736	2037	0	0	5001	0	1607	2795	0	0	930	1549	0	9437	0	1401	0	1378	0	2994	0	1712	1123	1605	8356	3547	2194	0	0	0	2657	0	2295	1402	3395	2996	0	2049	1845	0	2272	0	0	2194	Lipid	0.3125	2.125	0.0
4	C15 H34 O4 N2	307.25912	307.25958	0.20545651	307.2592	3123	4708	2626	2767	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2558	3060	937890	0	0	0	677	0	0	0	0	0	0	0	0	0	270	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2489	2152	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26666668	2.2666667	0.13333334
22	C20 H34 O2	307.26315	307.2634	0.13137744	307.26318	0	1958	0	1526	0	0	30422	1475	0	0	0	0	0	0	1414	0	2760	0	0	0	0	0	0	0	0	3129	26199	0	0	0	0	0	0	0	0	0	0	0	2941	0	1934	0	0	0	0	0	0	0	0	0	1554	1413	0	0	0	0	0	0	0	1661	1387	0	1675	0	4981	0	2087	1593	0	0	0	0	0	0	2270	0	0	0	1659	3556	0	0	7807	7356	0	0	12949	0	0	7945	3692	2932	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1129	0	Lipid	0.1	1.7	0.0
24	C20 H34 O2	307.26315	307.26346	0.079684764	307.26318	17079	16345	12170	14615	1894	5643	319306	6561	0	0	13040	5270	0	104906	5386	13715	18120	0	2594	3658	0	4382	5331	4521	8802	31728	303458	32777	5731	6469	4169	7252	2836	4169	2668	9650	2549	7559	18625	2332	12717	7615	2969	0	0	4959	8933	0	7405	7193	14694	11838	1487	0	0	7818	10090	9887	1991	19368	22616	5481	26727	0	77774	5448	18762	20559	7891	5619	12904	2566	6602	12853	16031	8531	0	2729	8061	40821	3885	15490	54496	71094	1236	0	34890	2718	8700	42837	24157	20877	7154	7440	7978	0	13167	14564	13727	0	0	6354	2244	15894	7132	6315	1994	0	10098	6867	Lipid	0.1	1.7	0.0
26	C20 H34 O2	307.26315	307.26355	0.10658978	307.26318	50646	45473	48205	41770	11295	14012	958788	73610	9984	12001	102861	20307	8121	206313	28152	29524	35121	4719	10322	19802	11434	16524	18013	16711	29785	134605	929860	226395	50880	30244	60239	36848	22405	19639	12568	44687	16098	35365	49704	12547	61045	27749	14646	6873	13410	23272	44039	6640	39122	39703	50778	48234	12732	15247	7328	40381	43385	31089	22860	72156	90413	34699	53811	8366	278429	17958	43896	46273	63439	35755	46325	9586	15449	39557	18039	27960	0	19889	34994	161791	19171	78849	141986	174635	9463	13967	83098	18063	19444	79273	63995	49410	30980	39267	27110	7326	51858	49984	47175	8189	9811	29890	15744	59172	49929	27670	9262	6209	40181	15510	Lipid	0.1	1.7	0.0
12	C19 H34 O1 N2	307.27438	307.2747	0.121813044	307.2744	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3984	0	0	0	3263	12630	0	0	0	0	0	0	0	0	0	0	0	27500	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52735	2014	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2912	0	0	0	0	0	0	0	0	Lipid	0.05263158	1.7894737	0.10526316
26	C21 H38 O1	307.29953	307.29953	0.12624288	307.2996	0	0	0	0	0	0	16112	0	0	0	5371	0	0	8763	0	0	0	0	0	0	0	0	0	0	0	0	21974	1921	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29596	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2786	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4458	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.04761905	1.8095238	0.0
14	C20 H38 N2	307.31076	307.3108	0.25911492	307.31085	0	1935	0	1804	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	62925	0	5799	0	7985	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	1.9	0.1
16	C20 H38 N2	307.31076	307.31107	0.08055597	307.3108	0	0	0	0	0	0	0	0	0	0	0	1051	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11858	4084	5043	0	20435	3823	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2504	7941	0	1250	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2563	0	0	0	0	0	0	1241	0	Lipid	0.0	1.9	0.1
12	C20 H38 N2	307.31076	307.3113	0.19703473	307.31082	0	0	0	0	0	0	0	0	0	0	0	1013	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1509	0	71801	0	120826	0	56456	0	0	0	0	0	0	0	466	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24743	3839	2943	0	0	2734	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2356	0	0	0	0	0	0	0	Lipid	0.0	1.9	0.1
10	C20 H38 N2	307.31076	307.3113	0.08137187	307.3108	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2985	0	0	0	1051	1180	0	4949	0	10504	0	859472	0	0	0	0	0	0	0	1024	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42362	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0	1.9	0.1
18	C14 H13 O5 N1 S1	308.05872	308.05914	0.22914281	308.05878	4880	4105	4360	3717	4471	4492	1816	0	2175	9154	7862	1265	3993	5678	3081	3408	0	4708	5783	3907	5707	17729	1182	4132	0	6281	2095	6198	0	0	0	0	2290	0	9684	0	2561	2299	1572	14199	26713	2964	0	0	0	5842	8597	0	0	0	6980	7047	5658	0	0	2806	1668	2277	3871	6726	2920	9607	4664	2887	1908	0	2543	3267	7796	6407	13715	0	0	0	1821	0	0	0	1708	21363	2640	4603	3800	8705	3491	2894	5929	4118	2981	3178	14242	16715	5840	24123	28971	0	5469	4498	2829	2725	3933	0	1257	5487	3318	5009	2041	0	2932	5548	Organosulfur	0.35714287	0.9285714	0.071428575
16	C14 H13 O5 N1 S1	308.05872	308.05917	0.30119804	308.0588	7632	7216	5878	7075	7241	3694	1244	0	4184	20079	10321	1626	2374	1718	1850	2641	1852	6906	5115	5224	14118	25278	1500	3585	2472	11451	2215	8481	1515	0	1533	0	2305	1692	16260	2038	3138	1608	5878	20860	28859	3365	0	0	0	9489	11652	0	3089	0	7605	6607	4329	0	3186	3044	1478	6256	3359	9346	0	14131	2927	2921	1707	7028	3911	4202	8874	13782	22600	0	0	0	0	1567	0	0	3563	22885	2792	9499	3789	16860	2872	1223	7305	5194	3162	0	14677	17735	0	31815	39047	0	8143	5281	3226	3730	3712	4158	0	3525	6163	0	4342	0	3009	7335	Organosulfur	0.35714287	0.9285714	0.071428575
6	C18 H13 O2 N1 S1	308.07397	308.07455	0.67178893	308.0742	0	0	0	0	687	0	0	0	926	0	0	460	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	758	0	0	0	0	562	0	0	0	0	0	0	0	0	0	0	0	0	0	0	830	0	590	465	409	0	0	670	0	0	661	0	0	0	1038	0	0	0	0	0	0	0	21450	0	0	0	0	0	469	0	0	0	0	0	0	594	530	0	0	0	0	0	0	0	0	0	558	552	0	0	0	0	0	0	744	0	0	0	Organosulfur	0.11111111	0.7222222	0.055555556
18	C14 H13 O7 N1	308.07648	308.0769	0.24061143	308.07654	22154	20988	22377	22897	28763	20753	11596	12610	24218	21544	11863	10985	41681	15126	13116	28343	15055	44374	41716	8089	16872	39765	18941	20998	12182	3649	11866	7869	12078	6958	11612	8212	24728	9533	29261	10112	24066	11623	21824	16204	28394	17748	2346	647	1289	11985	21158	1414	15880	9999	17494	21716	27644	1594	29138	16266	15304	27453	9469	12460	22998	14243	45466	33348	14616	38928	24363	15820	7926	6900	12368	7924	4831	4083	8207	7981	1113	10887	27041	37057	19605	9385	4692	7460	29227	19506	26683	28238	22365	27225	21934	23830	34131	33941	39940	1023	21999	16066	18606	28500	27033	20148	11015	14692	7349	25734	14030	881	17219	53848	Phytochemical	0.5	0.9285714	0.071428575
16	C14 H13 O7 N1	308.07648	308.07693	0.22979164	308.07654	47540	51719	46920	45878	62448	48961	24384	26357	59727	60248	37199	23254	96910	31758	34066	38532	33689	106692	91460	24152	49791	99396	34517	45937	22055	7521	26740	33561	27058	19821	24889	25526	48849	23587	66824	24175	54310	26086	41875	48599	86903	42135	2375	965	1173	31279	45243	1484	37141	18961	49038	44105	49506	1022	66797	45723	32275	49949	27268	28397	34731	39360	93776	68704	27706	74333	42619	41630	20037	18216	30843	22707	22023	12992	25203	19938	701	27062	53720	77966	32252	27243	15727	26373	59039	29022	49076	47737	44770	57872	35799	45400	64823	91826	69121	1564	51204	33518	34649	55890	52811	46233	20203	27177	19704	54385	35207	1296	28118	114633	Phytochemical	0.5	0.9285714	0.071428575
14	C14 H13 O7 N1	308.07648	308.07697	0.22709037	308.07654	85372	98907	75915	95336	102255	81772	40583	46684	96246	119227	91210	45563	162150	48515	56183	83329	72674	170471	142536	53235	111719	187509	65753	74658	43078	14896	36827	55161	49044	37266	40406	49760	100832	52442	139836	43529	101050	49544	75302	103235	176162	75596	0	736	857	49964	98029	1333	61431	40274	95624	81272	93191	924	126535	76003	52656	98547	43603	64755	73243	83739	178505	127805	41631	145581	70564	78481	44343	46144	72032	44199	39915	27181	50205	40423	706	45526	80655	130350	60576	45956	33716	42942	82012	56501	95512	95282	90587	166062	73788	88541	131210	169852	137326	1387	89916	89723	65635	85457	78155	92803	47146	60668	42519	98696	60392	685	51492	192760	Phytochemical	0.5	0.9285714	0.071428575
6	C11 H17 O9 N1	308.0976	308.09824	0.3433324	308.09772	2343	2172	2080	2602	6534	5255	925	1727	5794	0	0	1275	21942	3804	878	3850	2482	11261	10299	0	1567	0	2692	2617	0	0	0	0	1834	1738	1930	0	1890	2152	0	1717	4014	1033	0	0	0	5675	0	0	0	0	0	0	0	1749	2644	0	4650	0	9304	9280	2908	1655	0	884	0	0	14793	7772	2338	9218	4713	0	0	0	0	1992	0	2295	0	0	0	1170	1342	0	0	0	0	0	10425	3793	1353	5106	4515	0	0	0	1248	0	0	0	2058	4322	3743	9606	14739	4343	1398	0	0	1746	7286	0	0	13891	A-Sugar	0.8181818	1.5454545	0.09090909
8	C11 H17 O9 N1	308.0976	308.09818	0.3226377	308.09772	3192	3549	2890	2841	10074	5923	1211	0	9167	0	0	2053	23804	3731	1711	2601	2526	12955	15314	1437	1203	0	2747	2911	691	0	2242	0	1821	1590	2297	901	2636	1914	0	1997	2201	0	2587	0	0	5690	0	0	0	0	0	0	1706	1843	2435	4561	7498	0	11739	12332	4496	2894	0	0	0	0	16993	10612	3536	12179	4876	3372	0	0	0	850	0	1855	3142	1445	0	1508	1693	0	1145	0	0	0	10316	5064	0	5890	6481	3691	0	0	3177	0	0	0	3549	3494	6783	11251	11790	3526	1409	0	0	1725	9012	0	1026	19397	A-Sugar	0.8181818	1.5454545	0.09090909
10	C11 H17 O9 N1	308.0976	308.0982	0.28474793	308.0977	0	0	3192	2136	7345	4749	0	0	9823	0	2739	2572	20374	4772	1899	1354	2115	8479	9361	0	2287	2298	2159	0	0	0	0	0	0	1079	0	1667	1532	0	0	0	2196	1963	1687	0	0	4908	0	0	0	0	0	0	0	0	0	0	5072	606	9892	9213	2907	0	0	0	0	0	17325	10961	2163	9812	4097	1488	0	0	0	1002	1492	0	2770	1183	0	1404	1192	0	0	0	0	0	8034	2224	0	3749	5603	0	0	0	0	0	0	0	3472	4184	4549	9146	12390	2866	0	0	0	1958	7269	0	0	20412	A-Sugar	0.8181818	1.5454545	0.09090909
8	C6 H18 O4 N7 S1 Na1	308.11115	308.1116	-0.34541887	308.11102	1001	2293	2630	1693	1009	1678	1900	0	0	0	0	1881	0	0	1685	2891	1075	1128	0	0	0	1815	0	0	0	0	1330	0	942	3278	2081	1713	2590	2493	966	1889	2885	2073	1568	0	0	1814	0	0	0	0	0	0	0	2182	1215	0	2182	0	0	1164	1443	2392	1902	0	0	1594	0	961	0	0	1539	1815	0	0	0	2422	1452	1502	40085	1695	0	1656	1961	0	1701	0	1474	0	1289	0	1774	1188	2245	1848	0	0	2424	0	0	0	2066	1405	0	1615	0	1233	1139	0	0	1180	0	0	2100	0	Organosulfur	0.6666667	3.0	1.1666666
6	C6 H18 O4 N7 S1 Na1	308.11115	308.11154	-0.36221	308.11102	0	0	0	962	0	497	955	0	0	0	0	0	0	645	1175	1434	1172	0	0	0	0	0	1510	1138	0	0	1097	0	1332	713	828	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1582	0	0	0	1311	0	634	0	0	0	876	1616	2211	0	0	0	1123	0	0	0	1920	0	0	0	0	856	1224	891	38007	0	0	493	751	0	1603	742	1139	0	0	0	0	646	0	1781	0	1879	0	1741	0	0	0	1023	624	638	777	1532	727	0	0	934	0	0	855	690	Organosulfur	0.6666667	3.0	1.1666666
20	C15 H17 O6 N1	308.11285	308.11328	0.20358366	308.1129	35757	33643	39132	27380	34457	32490	19994	38102	28069	39341	28932	22992	43077	26507	26325	37975	31641	49222	49574	26780	33553	64407	28645	42455	26287	13138	18375	26957	33073	26639	29444	32508	45147	32359	39306	24315	52326	22642	32143	43548	46105	29910	5810	6978	6444	28712	28051	6244	33252	24462	40006	43397	39186	5332	38938	26631	27687	43346	23405	21307	37062	30735	37336	37633	16627	48884	31328	34711	25446	19280	38046	31052	27911	20769	24626	29207	5186	24579	36345	43438	26902	18833	22713	14178	33693	22186	34670	33952	28199	43244	44601	44187	67732	45942	43594	7071	38913	32646	24502	35697	28072	39861	24951	35674	19555	41388	25320	6206	24873	62877	Phytochemical	0.4	1.1333333	0.06666667
8	C12 H21 O6 N1 S1	308.11624	308.11664	-0.088979535	308.1162	871112	924132	657319	854248	621462	453723	363398	630574	840606	1368538	857624	481248	1000644	233171	478861	807506	717689	948887	1074923	1373240	1685093	1485642	552562	792286	312260	765707	443787	562520	553377	532095	550292	645839	827167	566820	1900350	567198	845448	456872	869605	1386368	3691263	548147	10470	3782	6612	825754	1054686	5104	738378	555565	829203	858468	592133	7224	1081396	537694	395028	693685	554953	762150	673512	978496	1105301	1003855	315600	830428	570069	850647	1181784	1271536	1822648	578027	574552	464741	481317	599348	5804	421478	599655	574612	456630	620066	533176	723768	566719	330508	561806	599152	654236	1053298	573122	858398	1090062	975084	1282813	8028	853934	828294	539526	571093	501038	799495	441741	824996	417108	724159	495048	4588	417768	1306740	Organosulfur	0.5	1.75	0.083333336
16	C13 H17 O2 N5 S1	308.11758	308.11795	0.17883618	308.1176	5505	3987	0	3194	0	0	5371	13738	0	0	0	9362	0	0	5288	18414	16984	0	0	0	0	0	4585	13578	5125	0	4983	0	13511	13448	10295	11614	9162	12735	0	14254	12716	6410	19697	0	0	0	0	0	0	1224	0	0	14464	17608	4029	2628	0	0	0	0	1614	6313	0	0	11870	0	0	0	1207	0	0	20376	0	0	0	14754	10684	7227	16431	12420	0	7364	3563	0	5352	0	0	0	0	0	3096	3442	1507	0	0	0	0	0	0	0	4881	2694	0	0	0	13678	0	0	0	0	0	0	6912	0	Peptide	0.15384616	1.3076923	0.3846154
8	C14 H17 O5 N3	308.12408	308.1246	0.111834206	308.12415	68712	77968	61668	69619	34506	27909	47796	79687	36061	52537	37957	56729	40917	17409	62093	93041	0	50509	61230	63385	69055	124608	71160	99822	52957	13632	51392	30834	58969	57577	58243	74713	76529	63696	76649	61332	81157	60741	0	78568	95348	39425	912	0	0	65905	81840	0	81766	71098	72581	71070	38046	0	54426	20668	34655	84055	62863	75499	81311	51311	40320	41004	33632	45364	36622	108538	25277	32755	41164	72935	61840	51982	50823	62261	0	51278	76389	46891	59919	49149	55583	37186	32483	28531	74275	53253	0	163353	79187	120265	168112	50731	63479	0	69754	70235	28299	24375	25891	73572	52165	86629	35339	85213	31893	0	66687	52824	Peptide	0.35714287	1.2142857	0.21428572
6	C14 H17 O5 N3	308.12408	308.12463	0.1662977	308.12415	84866	81663	81244	86682	38422	33701	54327	95209	50795	76902	46544	61796	49276	17484	75687	104765	93056	61776	75765	76145	98959	129293	75013	114671	49866	15888	51011	36518	74942	78010	81305	78625	100072	82532	94698	75836	92547	74187	118853	86649	122934	48730	0	0	0	89110	108015	0	99328	84403	84894	85586	45497	0	63227	29726	35318	92672	76762	105185	102394	67841	56336	46888	29485	51414	57680	127405	32519	43429	52380	80782	68970	69420	44641	65160	0	53766	68593	38898	66868	60114	61503	42671	42864	39550	81566	63749	56709	173739	61884	108944	187337	63831	78628	328	77486	71622	27311	31222	32767	98862	58384	109336	53823	100460	38193	0	59063	70095	Peptide	0.35714287	1.2142857	0.21428572
10	C14 H17 O5 N3	308.12408	308.12454	0.084202714	308.1241	47766	50445	38754	38255	22997	28048	35035	49583	26515	31754	22284	35593	25653	10812	39489	61060	54484	36795	37417	39036	34927	79718	39995	67179	37060	10423	33227	15996	36427	30936	32363	39709	51675	35948	31670	43607	56700	38464	55663	45384	51069	30349	860	0	0	40744	43486	0	51019	37573	43996	44499	29451	0	32071	15286	20739	57499	52015	45953	63269	28451	22973	26128	22424	29893	25767	65472	16466	23664	26039	37722	31810	26145	38704	33014	0	33363	52510	33243	42426	31193	38780	22328	20136	22723	49923	32432	29316	103433	38054	57614	109186	37310	41923	0	43894	42631	15066	16067	18249	46663	28284	51957	19083	57529	23573	0	48116	36387	Peptide	0.35714287	1.2142857	0.21428572
12	C14 H17 O5 N3	308.12408	308.12454	0.05710191	308.1241	52158	59352	61305	65441	49905	44649	50256	71157	50199	42588	30985	47646	37353	18222	58548	77991	72159	68519	67257	62249	70092	121821	54198	89337	58722	34999	33963	0	64542	58431	54054	57855	93345	63594	57699	63974	75621	56613	118185	67359	80616	52137	1254	0	0	52719	56337	0	73212	53406	68994	63594	47757	0	60519	21438	33333	101409	82899	51159	77295	33345	58170	51606	31371	64518	51478	99633	0	48075	60874	50487	46203	39987	58797	51974	0	53235	86181	0	64233	41988	47529	32602	41385	31020	76617	57789	49062	179163	66696	102978	194085	48348	60221	0	59451	66459	29958	18066	23355	59040	46356	54567	0	97413	41256	0	65856	69993	Peptide	0.35714287	1.2142857	0.21428572
14	C14 H17 O5 N3	308.12408	308.12448	-0.023608446	308.12408	10131	9551	9837	8589	7560	9450	9473	10235	10328	7961	4111	4803	8426	2671	9464	15440	11482	10717	9946	5353	9488	17180	10556	14382	13609	2318	6086	0	10089	8530	8824	8659	12098	8460	7933	7796	11647	7155	18412	9271	9626	8320	0	0	0	6256	10310	0	7939	6461	6867	10496	10115	0	5291	4978	5247	16844	9258	7810	0	3011	9345	8457	6222	10157	9839	16694	0	5084	4661	8333	7622	4123	10243	8374	0	6795	14310	0	9464	8179	11535	5411	4490	5696	18821	11519	8579	28828	17223	12984	30909	4677	7531	0	9036	11135	6133	3813	4217	14833	8732	14342	0	12930	4866	0	12839	11310	Peptide	0.35714287	1.2142857	0.21428572
0	C14 H17 O5 N3	308.12408	308.12476	0.082938395	308.1241	8886	8522	8113	10148	7131	9736	3547	10663	7281	4026	2807	7001	8248	4720	6077	0	6300	9612	11083	5197	9837	11860	11162	13283	6829	1642	0	4526	14962	3842	11897	10385	16819	11598	7738	6418	16147	5777	9129	4930	4340	14505	0	0	0	4604	2767	0	14232	6675	8714	11002	10210	0	7878	5284	3570	17076	2972	2570	5506	1955	12757	7311	9731	8784	12992	11450	1481	3068	2047	10281	15377	6642	0	7502	0	5212	7099	25705	4972	1322	2732	0	4976	5286	8443	7755	10796	9604	17879	7651	23575	4679	0	0	7952	10851	4962	4019	4564	10466	0	5659	2362	16957	5648	0	4224	15627	Peptide	0.35714287	1.2142857	0.21428572
4	C14 H17 O5 N3	308.12408	308.1247	0.1724983	308.12415	44308	47123	44655	41215	24037	20786	23795	50527	36322	35931	34631	32483	32729	13741	38780	51860	81907	44203	50537	44317	52823	75889	49200	57616	25577	10688	26167	17377	31460	34163	40014	39950	50298	32978	57156	39769	44094	38047	104750	54613	75138	31415	0	0	0	46491	67450	0	44756	43536	45902	40727	30677	0	44536	26403	26161	45849	43898	63779	55081	37733	44496	33846	26915	37047	27478	88160	20699	19432	31582	40434	34910	36761	27166	34689	0	30330	37761	46563	36384	28843	29752	23138	35969	30278	39223	38759	30009	87063	38849	44153	98688	37194	44303	522	43170	46030	27225	30278	25995	48955	32370	62757	39207	51671	28245	0	32023	46713	Peptide	0.35714287	1.2142857	0.21428572
0	C11 H21 O5 N3 S1	308.12747	308.12784	-0.034027368	308.12747	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16841	0	0	0	0	1021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42249	0	0	0	0	0	0	0	0	0	0	7669	2717	0	2506	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.9090909	0.27272728
2	C12 H21 O8 N1	308.134	308.1346	0.21200682	308.13406	6779	9420	5623	5048	6905	18169	2200	8607	4612	2656	0	4223	22465	6011	5796	1764	5505	24796	8881	3268	3729	6803	5961	5434	3207	0	0	0	9044	4793	9374	7619	12099	14454	6260	9428	12450	2850	4196	1128	1623	5879	315	0	0	0	1825	0	6365	3992	7001	8891	9135	0	5991	3866	1780	6791	1344	1575	3116	638	13400	4508	0	15926	8442	5066	0	0	1075	19488	16259	8336	0	6344	0	4306	5108	0	4071	0	1082	799	3674	2164	5689	16048	7725	8091	0	4301	7155	2562	0	0	5747	8939	1842	4409	5152	5729	2710	4074	892	8906	3362	0	3472	29353	A-Sugar	0.6666667	1.75	0.083333336
10	C12 H21 O8 N1	308.134	308.13446	0.13247643	308.13403	7528	7951	7747	6579	13182	11272	4813	7648	19671	0	2449	5326	35210	8516	4780	6575	8381	23439	21600	3082	2393	0	6142	3668	2475	0	3485	3599	9685	9134	5390	7375	10624	4768	4600	9025	10145	3481	6673	0	2369	12487	934	0	632	2928	0	0	9175	8202	7797	9127	12874	514	29677	17340	6451	6206	0	3375	0	0	17176	19846	10034	15930	9331	6583	0	0	0	5479	6872	11649	5796	6891	0	5391	4657	0	2738	1089	3258	0	18650	10132	4119	6809	9751	0	8102	5519	5089	2287	0	0	8433	8111	10755	18716	22059	12015	6666	0	0	6939	24189	0	0	26599	A-Sugar	0.6666667	1.75	0.083333336
8	C12 H21 O8 N1	308.134	308.13452	0.15255293	308.13403	6214	11180	0	9560	11985	10745	7548	7871	14627	0	4172	6192	28118	6557	7866	9181	8090	21438	22184	3819	4783	3584	8539	10626	4949	1145	4711	5014	9066	9128	10074	7573	8669	8154	5011	8677	12727	7624	9235	0	2557	9614	0	0	0	0	3026	0	10565	8315	6833	5769	11229	277	26017	16143	8194	4953	3606	3527	0	0	20036	17148	9799	16057	9527	8201	0	0	0	8187	7835	12165	6563	6586	0	5589	8170	3563	4233	2044	3736	0	17285	10236	6742	7133	11219	7956	0	0	9962	0	0	0	6268	11055	9038	14335	16178	10976	5236	4922	0	5574	19766	0	3192	22651	A-Sugar	0.6666667	1.75	0.083333336
20	C21 H18 N1 Na1	308.14096	308.1416	0.7528395	308.1412	0	0	1945	0	0	0	1971	0	0	0	0	1340	0	0	0	0	5856	0	0	0	0	0	0	25681	3993	0	0	0	0	0	0	0	0	0	0	0	1889	0	6743	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2437	0	0	0	0	0	0	4309	0	0	0	0	0	0	0	0	0	0	2185	0	0	0	2355	0	0	0	12942	11884	0	8551	0	0	4784	0	0	0	0	0	0	0	0	2281	0	0	0	4015	0	0	0	0	Phytochemical	0.0	0.85714287	0.04761905
10	C16 H21 O5 N1	308.14926	308.14972	0.12665965	308.1493	346739	317882	313599	279791	186644	147287	247722	347540	172561	493714	245310	196900	187292	102390	210542	378099	244129	277243	296134	625939	668736	449267	201354	372622	237573	495136	258769	223357	344409	305596	293250	353024	470496	343503	584770	337939	457906	211371	317717	493833	516835	163751	6548	3003	2235	321486	316752	2836	372676	295238	333539	320814	194108	3712	254220	114373	101710	374384	209611	264271	382441	273403	188964	172674	91377	215664	175417	313119	399296	649171	612186	309194	287088	313527	268299	299920	2260	195032	232797	204647	210089	212428	235581	271191	144286	127336	235993	194739	202546	349629	296288	339067	453786	286955	498169	4512	341454	350191	115060	123219	128247	411155	201567	373543	179553	299127	123426	2370	219534	247349	Phytochemical	0.3125	1.3125	0.0625
20	C16 H21 O5 N1	308.14926	308.14966	0.19009483	308.14932	73377	87594	74307	67978	74969	68126	48409	79311	44437	133123	88970	46383	82809	44567	51663	85360	65480	94597	87558	156955	157181	110989	63527	84222	61853	88909	43332	80627	87619	69684	64871	69935	137407	84423	126463	75008	234555	40886	66211	121973	139223	65716	6796	4671	4250	75915	63404	4283	87047	55066	84889	93818	68011	3699	53444	44185	39200	83994	63981	51878	88996	91294	57665	47244	25920	76252	65953	71702	74847	100786	117410	66344	64502	62029	50960	64444	3532	47312	49214	95436	42190	46014	60644	79864	53385	41283	62250	66809	65133	69990	123756	115670	116166	102620	113866	4976	80413	86342	44603	41447	54247	179115	45494	95250	54389	81795	47447	4624	48628	86835	Phytochemical	0.3125	1.3125	0.0625
0	C16 H21 O5 N1	308.14926	308.1499	0.098257385	308.1493	19179	20991	19831	19585	8125	8494	16334	34844	10397	19776	13680	20726	10185	5277	19649	9465	37991	17218	16149	17078	40352	21649	21716	21558	9253	17289	9208	13733	31315	16595	23279	27826	34156	33706	29783	36341	31304	18387	42584	19046	28306	24139	1790	1647	1875	10632	13961	1137	32462	25498	19509	20808	17102	1461	14335	7967	9966	27791	13601	25948	15662	15217	9525	11143	16243	15207	19761	41499	15827	16284	19442	28902	39652	31045	14235	35128	1858	17535	21246	7217	16125	9800	16343	12883	9244	10581	17084	18107	21288	19120	13761	16393	31097	19448	9712	1670	17077	20194	6951	6569	7766	23397	13227	21429	11292	24716	10326	1258	14269	11324	Phytochemical	0.3125	1.3125	0.0625
8	C16 H21 O5 N1	308.14926	308.14975	0.111221954	308.1493	267497	290627	245575	286628	134230	123613	168880	287172	148252	438956	196776	158576	173724	71087	186235	336951	231603	200548	273565	560176	572922	405156	185869	306099	172049	314383	189718	174301	289131	228314	235337	312738	344793	271506	588963	266041	355827	170298	291224	401506	843414	151590	3924	1560	2122	276058	267628	1703	329530	237087	269789	292466	151044	2197	202763	88077	91382	282176	128854	190482	277409	225043	171199	160525	74669	179553	152354	280546	311465	507477	515804	260765	260928	223059	200866	264782	1581	166908	193822	159921	162179	155488	172326	225015	111498	92732	197623	155003	181411	309490	262252	308010	459071	219227	334388	2638	271906	276291	95320	102912	107137	318485	157390	310830	112044	269968	88181	1416	169166	214976	Phytochemical	0.3125	1.3125	0.0625
6	C16 H21 O5 N1	308.14926	308.14978	0.11731893	308.1493	536772	575158	524676	282464	156651	131603	153743	293140	171617	474176	209634	164785	218173	85035	188747	308061	216967	233893	280056	482326	1113148	740786	194859	602968	314216	239006	152538	162278	243316	447056	504760	304585	353999	561678	1132378	509948	340321	356432	642316	290649	715894	153352	3180	1227	1548	239185	257638	1367	360199	474630	569224	280215	175698	1963	235207	100199	94600	609898	119336	390908	293127	202602	207702	157682	66820	208004	188182	326744	258137	432929	472694	482174	244984	208257	178310	450716	1593	156101	373582	118070	152572	276892	287274	193058	136122	108943	220269	179632	198583	622896	219649	562640	689676	217468	320444	1994	263631	244542	85962	115701	135528	321466	169273	292265	123523	247965	108384	1526	161783	277133	Phytochemical	0.3125	1.3125	0.0625
12	C13 H25 O5 N1 S1	308.15262	308.15298	-0.027652137	308.15262	1567220	1815572	1734440	1676904	759372	644940	1202996	1574532	749404	2215156	1219896	837448	669696	391560	929608	2046176	1494176	1170728	1420336	3216872	3071068	2534952	1035256	1928400	1002168	2572060	1088320	1057452	1551760	1425808	1391115	1805432	1973924	1614260	2608192	1612200	1921192	933468	1699295	2680720	2710004	873424	25812	9548	11220	1738444	1847396	11560	1935688	1518376	1689848	1778672	900706	11864	990896	494244	557652	1880880	1167636	1360804	1794520	1454060	859928	727728	418568	946040	769832	1511352	2111980	3517372	3368364	1368496	1356588	1530356	1611876	1513384	7184	948880	1028064	940732	982204	1201852	1301928	1521664	602800	588816	1111420	911503	936188	1952420	1987324	2194336	2360928	1323376	2488128	17620	1749028	1758864	596004	508040	494980	2109960	902096	1935080	766580	1606456	621464	8792	1054856	1135792	Organosulfur	0.3846154	1.9230769	0.07692308
14	C15 H21 O4 N3	308.1605	308.16086	-0.046228375	308.16046	6213	7384	6888	7230	4319	3723	6868	11687	3410	0	4670	5264	5931	2170	7379	9393	10834	7986	7226	3802	8425	10851	7539	12883	8378	3093	5424	0	5071	8148	7319	9050	11201	10579	7873	11233	10691	5886	14598	11854	10952	5779	0	0	0	8520	6070	0	11521	6901	6802	7070	4076	0	3831	3201	3626	13728	7679	9438	0	4485	3802	4254	2465	4035	4625	14323	0	8061	7804	6906	6553	7823	9867	7284	0	7347	9101	0	7696	7981	9069	5047	2834	0	9539	6883	5813	20308	36091	32045	28793	5905	9787	0	6751	8346	3846	2137	2909	9678	4649	9473	0	10159	2759	0	10948	3920	Peptide	0.26666668	1.4	0.2
12	C15 H21 O4 N3	308.1605	308.16092	0.024269624	308.1605	14436	15061	15474	14729	7794	5701	12204	27241	5604	10890	6314	11799	4101	2335	13325	19957	30049	10462	13986	19163	16147	32545	17442	24511	17265	7844	9965	15943	19431	12974	21561	17574	25590	20146	18997	18786	18815	12298	34712	19326	18113	11415	0	0	0	15936	16123	0	21601	18267	16043	16859	8691	0	8415	2334	6782	21152	12141	26008	18610	10065	4695	6788	5057	7964	8461	34808	0	10117	7248	18232	16650	15213	19009	14714	0	13285	20087	21212	17080	11930	17643	10851	4802	7434	17126	11525	13748	43080	34064	32542	37137	11750	16317	0	17246	15934	4150	4134	3458	22590	13366	19936	0	24569	6850	0	22059	10397	Peptide	0.26666668	1.4	0.2
10	C15 H21 O4 N3	308.1605	308.16095	0.08787982	308.16052	31817	24986	29434	27304	12385	14099	21669	37131	9989	21221	13052	24827	9383	10947	24704	43353	37010	19797	19955	29925	27564	46656	28200	50893	27171	13985	24880	12016	31861	30927	24716	39842	40760	32892	29641	34933	45741	22414	45099	38769	34350	17054	0	0	0	37203	32363	0	40116	33602	31620	33795	9358	0	15981	6634	10740	46814	25230	37764	48293	20885	9398	10110	9009	11816	16534	49710	11696	18120	16788	38101	29836	30708	31238	29344	0	20287	34442	26586	28265	19471	23516	22720	8272	8092	29303	17036	15368	60713	45299	34626	67852	25588	42209	0	32824	30454	6158	6786	9228	41129	20504	37251	0	39494	8537	0	32102	12801	Peptide	0.26666668	1.4	0.2
8	C15 H21 O4 N3	308.1605	308.16098	0.07835283	308.1605	51016	53100	37600	45893	12078	17834	33382	54823	12821	41005	22945	31950	11014	7299	39322	61868	51984	19297	26223	56555	50692	70759	38383	64981	41959	18502	37236	25999	48736	45663	42642	56954	53800	52950	54336	47762	60506	39695	61539	60812	61352	17881	0	0	0	56976	55969	0	53350	47068	44559	43113	15062	0	18035	7065	16216	50431	33075	44568	63179	31812	12524	15124	11876	13047	19716	66218	18251	29922	32090	52179	48875	40640	37087	51912	0	33341	44719	42297	35447	28402	40583	38550	10439	11160	43233	25792	24927	88241	105397	75669	102997	42805	62109	0	46311	47419	12669	8445	7788	52381	32948	65780	20803	53856	12710	0	43974	16319	Peptide	0.26666668	1.4	0.2
16	C13 H25 O7 N1	308.17038	308.1708	0.29119593	308.17047	0	1955	4450	3023	0	0	1515	0	0	0	0	0	1793	0	5249	0	0	0	0	0	0	0	0	0	1314	0	2612	632364	0	0	0	0	0	0	0	0	0	5057	0	0	0	0	0	0	324	0	0	0	0	0	3114	1844	0	540	0	0	0	0	0	0	0	0	0	0	2287	0	0	0	0	0	2787	0	0	0	0	0	0	0	0	0	0	0	0	0	1375	2118	5707	0	0	0	0	2187	0	0	0	0	1686	3682	0	0	0	0	0	0	0	0	2713	0	0	0	Lipid	0.53846157	1.9230769	0.07692308
6	C13 H25 O7 N1	308.17038	308.1709	0.14087516	308.1704	0	2174	0	2554	2422	3878	2577	3210	3784	0	0	0	4937	1851	3243	3989	0	10558	11407	0	0	0	3291	0	1720	0	2247	0	2058	3342	2859	0	2685	2063	0	2800	0	2214	0	0	0	2480	744	0	0	0	0	0	0	2294	2999	3188	1621	0	5933	4183	1349	2618	0	0	2883	0	6601	2429	2949	3600	1418	2622	0	0	0	1886	0	4233	0	1362	0	932	0	0	0	0	2567	2027	22543	5285	2731	1912	0	3031	0	0	4611	2149	0	0	3458	2894	1589	3171	5850	2421	1467	0	0	1895	4293	0	1662	13386	Lipid	0.53846157	1.9230769	0.07692308
10	C13 H25 O7 N1	308.17038	308.1709	0.21541542	308.17044	1652	0	0	0	0	0	3842	0	1229	0	0	1408	2581	0	2206	2275	0	1481	2627	0	0	0	1049	0	2429	0	0	0	2297	1669	0	1903	2401	1563	0	0	2449	0	1871	0	0	1505	881	0	0	0	0	0	1159	2739	2246	0	870	0	2145	1452	1340	0	2834	0	0	0	1008	1093	4765	2173	1743	2212	0	0	0	1280	1723	2493	0	1564	0	1107	2217	0	1650	994	5348	2250	3135	2368	2966	986	0	1855	6056	0	0	0	0	0	0	3363	0	807	2690	2546	0	0	26208	0	1253	0	2547	1817	Lipid	0.53846157	1.9230769	0.07692308
8	C17 H25 O4 N1	308.18564	308.18613	0.10990703	308.18567	171046	162132	120100	162631	44197	88722	74372	350464	35618	199380	87388	86360	48919	35309	85351	280763	426386	67108	84080	269610	238205	136197	78429	195798	100609	126092	89959	97890	550581	227036	212971	406631	320744	390049	266706	282865	378637	86746	391199	151370	100829	151478	2249	430	0	112017	96698	414	614595	347648	169457	141074	112954	510	40477	25549	32955	219105	7569	57123	219729	61312	46795	36889	29332	61338	125590	606144	92303	227048	207062	245662	248217	140699	428319	221449	332	71659	82358	74469	72388	24695	24556	96464	29752	25713	82856	165557	128331	181714	185023	86948	195213	76116	132206	617	173073	173742	25987	26765	29370	297097	72641	133646	25374	222625	26016	301	87597	49257	Lipid	0.23529412	1.4705882	0.05882353
22	C17 H25 O4 N1	308.18564	308.18604	0.18808492	308.1857	61005	68822	67434	66249	307458	67093	37200	56985	53169	51394	56615	38471	180640	225364	45801	67741	76020	91242	82038	87093	105530	87372	35443	61532	41753	43522	43151	63106	65045	48839	43586	55350	63969	71127	63226	54304	65901	31917	78037	56018	80151	48027	3242	0	1318	53471	79044	0	61892	45095	67077	69977	137976	2102	65354	67774	36711	66801	40401	52361	65625	46113	86383	54707	33743	99489	63240	84778	40067	44437	59361	57930	47610	45629	57112	57481	992	35209	43344	145992	32591	39411	38576	41911	107874	45658	46342	65424	50135	77763	92916	87803	69376	165683	187991	0	62296	72326	66775	99889	86938	77367	39532	69049	42772	62468	133915	0	41058	113269	Lipid	0.23529412	1.4705882	0.05882353
10	C17 H25 O4 N1	308.18564	308.1861	0.12793255	308.18567	339797	307274	279991	277544	62580	114324	78453	532597	29997	162672	79784	124597	43757	24245	108364	441016	969356	110573	105907	228347	242570	121130	108123	273776	146981	99333	102544	72357	810269	425212	319728	852616	736104	758580	263097	586688	844666	125753	1236789	124084	113234	259608	1532	576	565	97227	89960	0	1249147	470702	314985	309648	266392	1060	42369	21225	49975	456104	10153	128155	424210	46841	35047	30339	40643	239465	198427	2394733	77885	160960	227479	380075	381354	161938	1628203	378836	0	65723	105042	66312	97505	31682	30333	73128	33093	34029	105665	394227	215290	257562	129378	70618	273849	64298	130764	1246	309401	295641	27680	27479	32298	675816	110842	137282	40041	430504	25014	938	119691	56542	Lipid	0.23529412	1.4705882	0.05882353
6	C17 H25 O4 N1	308.18564	308.18616	0.08130954	308.18567	190064	210734	187484	195115	105365	73756	134462	292070	56626	319438	110636	129470	61269	59168	157513	261309	153712	83705	127977	373593	340952	238644	123330	260139	153548	164597	128867	106714	256269	245429	265511	299715	317080	269877	393299	255332	309844	139484	209018	226322	158097	89970	868	383	387	200834	172804	285	355651	234882	207036	209176	100924	622	85330	30949	45214	261964	14616	29567	257399	125537	59451	51803	35876	89039	117783	239212	126891	348826	285228	267400	243871	251286	187753	229916	321	139440	114850	103286	114598	53502	51990	164975	40495	46873	150188	87169	104429	248363	255569	154321	293015	122868	248018	541	193281	176562	32098	24769	28423	278722	128726	253537	100944	228853	45365	344	135398	66879	Lipid	0.23529412	1.4705882	0.05882353
12	C17 H25 O4 N1	308.18564	308.1861	0.1322852	308.18567	112252	114121	113437	118590	87860	53420	84331	131088	49162	98752	59773	89018	48512	31582	82611	189837	139222	53206	99816	133013	124061	122179	105732	201985	125316	87609	84587	51831	88617	101846	90440	116711	128226	94781	117135	102306	124087	91085	161423	89748	88597	46151	1194	606	500	86876	77638	886	147590	110866	118779	99013	62186	574	47926	47377	37528	206442	15967	51553	130049	45526	38655	36362	36528	71865	42772	188967	59275	117878	133040	98700	96243	82708	122206	99909	419	81851	173409	77353	116097	41116	27865	58990	65619	32777	187540	68856	56158	272713	114219	69892	285746	58155	86997	1028	107969	108954	50148	61270	66372	122824	78360	76370	29835	226178	56779	702	209061	58057	Lipid	0.23529412	1.4705882	0.05882353
16	C17 H25 O4 N1	308.18564	308.18607	0.13931224	308.18567	85303	92241	96511	99979	76332	54471	88771	91823	42862	123912	82882	74083	61519	109612	55022	116076	149201	81665	91396	169639	180245	117855	58489	105758	59465	205154	76534	77543	80005	94291	78660	93862	104811	76774	116064	90491	97915	52448	132701	126395	155806	66640	2034	823	833	84712	123404	769	98582	89187	93249	98285	65542	1556	47934	45993	35932	117160	49146	103389	98936	70809	48530	32564	33249	67783	61114	126145	171454	184947	215864	82340	86404	83819	122743	80719	492	49192	72512	100144	55830	53239	68739	89370	56498	41243	91951	71841	66601	226402	121765	125050	143487	91617	136740	1044	99863	116619	37107	44132	61976	112208	49794	92855	42406	99356	57736	833	75852	56414	Lipid	0.23529412	1.4705882	0.05882353
2	C17 H25 O4 N1	308.18564	308.18622	0.069326356	308.18567	143840	147116	134186	123633	24499	33654	101479	317874	15850	128537	63019	113925	16636	17440	120846	620330	167429	33736	48255	186184	168893	151667	98611	220894	124651	64582	128447	49285	217781	238843	224001	240986	173845	192994	142887	242685	177319	98914	175865	157873	135641	50674	946	461	308	94781	112580	297	286351	291348	125622	131022	39454	382	21533	9352	20322	205630	22170	36311	308825	75337	16004	22479	24701	27286	47583	199268	57305	89138	94574	256738	223564	286921	496177	210178	0	118687	96812	67826	84125	33589	61277	91843	18490	25167	86713	43512	61075	182825	155662	124359	219549	81798	216299	900	130752	144377	14833	10309	13063	180730	100306	283944	51181	144573	14343	404	112131	17732	Lipid	0.23529412	1.4705882	0.05882353
20	C17 H25 O4 N1	308.18564	308.18604	0.18189812	308.1857	95879	105524	92836	80324	82552	58678	63592	94311	45121	103470	84468	73358	74494	67768	69418	134576	138218	79869	83543	182795	180876	110000	58033	106637	66645	154344	69595	85860	108518	103608	81865	100611	132016	110809	130869	110788	122950	53872	130006	122281	146806	62766	3882	859	652	86479	109743	1447	121122	79400	101459	95069	76049	1602	64157	73352	40275	120092	73874	98143	129322	73066	49061	48455	42217	77718	64295	135975	103655	123531	149085	85338	93013	102121	121432	101053	549	65455	63757	113802	45697	54465	81151	95828	46568	47386	97457	88968	71778	155890	151230	139515	134209	98343	125779	1741	109144	105130	51448	77336	89133	148386	63725	150713	75000	105116	64729	809	69215	69610	Lipid	0.23529412	1.4705882	0.05882353
24	C17 H25 O4 N1	308.18564	308.186	0.17774832	308.1857	32591	35688	30423	31884	256185	54146	12597	21516	45079	47678	29928	11997	62764	37883	12858	26838	18501	59106	50240	68215	75884	24239	15562	27754	19445	8179	8944	39474	31248	23043	22165	30216	29762	41318	55009	28835	31840	13077	22054	41948	33563	32012	2821	0	0	27899	19282	0	27262	15899	31486	29291	50417	0	56664	26804	22845	35947	24044	16136	32956	21272	41705	37426	22317	74356	66201	20596	8750	8473	6206	31830	24917	22578	16774	17393	0	13768	16299	26765	10424	15709	18695	17550	38244	34898	26736	151782	75433	25270	36444	38631	23677	19596	35640	0	29264	31756	100817	26813	50080	31158	10350	33293	18320	29363	59301	0	16187	36259	Lipid	0.23529412	1.4705882	0.05882353
4	C17 H25 O4 N1	308.18564	308.1862	0.07927279	308.18567	247471	271030	243250	249892	55706	81018	177655	430734	36695	333377	114142	189759	40027	28762	222165	337555	385387	80122	113828	383663	365384	288096	179635	354669	232634	157334	206809	107523	380875	303940	358495	383103	416400	334769	428842	395283	428454	179104	440034	273074	210443	93033	1212	467	337	232182	216021	467	484776	370372	255640	195738	89948	528	49002	18328	38219	354516	22191	40751	334684	129850	35154	41939	35744	74147	97565	549372	131272	243261	255819	356110	319247	388348	372658	310374	349	235756	163574	110605	167280	62967	93376	170335	34912	45740	155578	118511	130377	257269	284346	178203	406750	141746	286945	1337	233880	265409	29976	24836	22742	358791	195092	404395	111277	280865	26263	493	182134	47299	Lipid	0.23529412	1.4705882	0.05882353
0	C17 H25 O4 N1	308.18564	308.18625	-0.03080594	308.18564	74364	78600	70047	72792	1509	0	27867	206511	1848	12413	9457	26715	0	0	38872	7101	27716	3107	3434	15449	27981	17543	16918	330633	1019792	8654	18718	10072	160681	223112	206380	187552	24396	164100	22202	164148	19633	39811	32280	17893	27907	4473	0	0	431	72805	12576	0	255359	147989	71000	70244	3314	436	2145	1090	3209	190194	10456	14336	394754	17319	0	2491	8741	3136	6507	32828	8832	14913	6965	187779	115064	82968	6958	121741	332	22947	25007	26780	16057	6959	19041	40019	1908	5049	28585	6440	7313	23292	30806	17548	26567	29960	9102	626	71490	80900	1320	1172	1185	14300	16894	17907	8286	16637	1697	0	1073768	0	Lipid	0.23529412	1.4705882	0.05882353
14	C17 H25 O4 N1	308.18564	308.1861	0.142196	308.18567	77234	71179	65071	74910	34040	28844	66365	86370	27675	92131	56915	53939	28401	20109	44724	102005	98986	44773	55581	102456	133921	100702	46701	91115	53110	127547	58564	53698	64127	71121	60760	81405	78041	72571	92310	75317	76571	45529	98990	97437	125651	37025	0	811	497	65664	92113	477	89360	65028	74253	70629	34978	759	37658	19734	22921	103092	27062	73465	75950	52375	31934	29293	23597	39953	44032	103338	91126	138231	147936	79537	71392	58590	81782	68957	624	49343	65903	62567	56526	39359	53172	66889	30214	26983	76614	44453	43303	187479	114994	77282	123350	72438	100752	801	78619	70565	26291	28574	31866	79003	51073	87826	25611	94447	24332	648	68201	27040	Lipid	0.23529412	1.4705882	0.05882353
28	C14 H29 O4 N1 S1	308.189	308.18918	0.20278169	308.18906	995	0	0	905	0	993	0	0	0	0	0	0	0	3658	0	0	0	0	0	0	0	0	0	0	0	0	0	1043	3237	0	2319	1981	2103	1135	0	0	7133	1053	0	0	0	0	0	0	0	0	0	0	2993	0	0	1110	0	0	0	0	0	2702	0	0	0	0	0	0	0	0	0	0	0	0	0	2362	1277	0	0	4734	0	0	0	145272	0	0	0	0	0	0	0	0	0	6814	2100	954	2943	1445	0	0	0	0	0	0	0	16153	0	0	0	3642	0	0	0	0	Organosulfur	0.2857143	2.0714285	0.071428575
6	C14 H26 O3 N3 Na1	308.19446	308.19522	0.772579	308.1947	1014	0	1202	746	0	6748	0	0	0	0	1698	0	0	0	0	836	0	0	0	0	0	0	0	0	0	0	0	21721	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	982	824	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	218	0	0	0	0	0	0	0	0	0	0	0	0	0	68769	0	0	4418	0	0	0	613	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.21428572	1.8571428	0.21428572
12	C16 H25 O3 N3	308.19687	308.1973	0.21053049	308.19693	0	1936	2616	2674	1908	3757	2697	3444	0	1702	0	2106	0	0	2953	3486	4449	1696	0	2860	4633	0	2224	3635	1625	20114	1687	0	2623	3081	2875	3642	2711	6551	5176	4298	3728	0	2648	1996	0	2832	0	0	0	3071	0	0	3943	2972	3006	2033	939	0	0	0	1192	3469	0	0	0	0	0	0	1078	1522	1038	7183	19535	25800	35247	2451	2830	3177	4068	3337	0	3372	1205	0	2310	0	788	3802	0	0	3274	2856	0	11691	6987	2049	7073	0	1535	0	3614	5283	0	0	0	3244	2401	4213	0	3935	809	0	2761	1236	Peptide	0.1875	1.5625	0.1875
4	C16 H25 O3 N3	308.19687	308.19742	-0.013244731	308.19687	8586	9247	10005	10465	2544	198446	5208	9002	2127	8940	8320	4867	1814	1761	5600	12647	9439	5374	4583	7241	10029	11129	6804	12420	7783	5129	6400	6337	7710	6550	6048	9040	12620	8252	9899	8221	11384	5201	12626	7587	5106	6202	0	0	0	7441	6863	0	9825	7835	8771	6480	4744	0	1982	469	1862	13207	496	976	10928	4326	1973	1734	1509	2784	3359	10884	3661	6252	6342	6876	6234	7892	8698	6652	0	7029	7760	9888	5819	1959	1981	5850	1050	1602	8360	3873	3600	17934	44910	52278	32607	5367	9601	0	9667	11582	2326	521	941	10404	9581	8713	5123	11878	1371	0	7413	2902	Peptide	0.1875	1.5625	0.1875
2	C16 H25 O3 N3	308.19687	308.19745	0.041442987	308.19687	8639	8359	5891	5950	2691	26307	5688	11282	1183	6349	2450	5466	854	1306	7642	9866	10636	2526	3748	6689	8043	9079	5322	12947	9113	3015	3358	30979	10181	8033	9043	8480	7978	7909	7112	9807	8834	5905	11160	7252	6662	0	0	0	0	5270	5224	0	9797	9301	6641	7930	3123	0	1679	310	1424	10572	1039	1322	7767	4797	1262	1172	0	2363	3632	12331	1921	5121	5001	8028	7411	8953	7118	7572	0	6391	6000	17810	5306	1923	3092	5784	1239	1685	6006	3565	3972	16982	123485	12257	19280	6280	7008	0	7162	6942	1273	469	513	7740	5897	9065	4225	9018	827	0	7124	1126	Peptide	0.1875	1.5625	0.1875
8	C16 H25 O3 N3	308.19687	308.19736	0.08884581	308.1969	6207	7399	6329	7332	2576	5940	2930	6859	3141	11232	5486	3892	2560	2957	3713	13868	7851	3983	7932	13160	14669	8950	5327	9477	6004	12308	3892	4998	6816	5637	6158	6768	10531	6662	12244	8046	10041	3773	10703	10383	4224	2643	0	0	0	6620	7079	0	8716	6307	7837	10752	3179	0	2227	1075	2525	10812	0	1096	6579	3767	2772	1532	1902	1724	4417	12063	7818	14747	13848	6010	7791	4970	7068	7368	0	3939	3391	3910	4083	1398	776	7371	2362	0	6121	6511	5909	19590	15235	0	21550	6863	8333	0	7119	7098	2105	628	0	11322	3423	3805	0	7933	0	0	5772	5097	Peptide	0.1875	1.5625	0.1875
0	C16 H25 O3 N3	308.19687	308.19742	0.028381558	308.19687	1920	3174	3303	1800	3415	15571	2143	3315	1193	1061	1786	4031	0	0	1486	0	3426	0	1164	0	2945	2582	2229	3222	1936	713	0	4806	4040	0	3833	4478	9953	2665	1916	4313	3390	1698	3203	1562	1419	6083	0	0	0	1391	0	0	2396	1754	2136	1598	2541	0	1275	0	2870	2228	763	723	0	1418	0	0	2897	0	0	5016	458	0	0	2539	5679	2579	0	6581	0	5843	2275	6176	1368	689	1551	0	0	1360	2087	3173	0	8386	37957	19553	5671	1850	0	0	0	2690	6839	0	0	3125	9268	0	0	3103	554	0	1734	0	Peptide	0.1875	1.5625	0.1875
2	C14 H29 O6 N1	308.20676	308.20737	0.13671203	308.20682	8441	7800	6730	8390	4293	0	0	2992	1278	69151	47143	1105	4230	7574	1020	1281	516	4709	2696	5168	7404	3867	2117	1978	909	0	0	137606	2194	1143	2296	2672	0	1751	23053	2210	1674	718	990	774	0	4679	0	0	0	1229	0	0	2806	1663	6543	7561	2569	0	1505	238	775	2293	413	1350	1950	0	6927	1794	0	4814	4770	1143	0	491	0	3265	2140	2215	704	1700	0	1107	1592	145388	970	0	0	0	956	516	1154	997	2119	0	108157	15618	2594	56881	74716	0	6929	7287	517	370	392	1677	535	1447	2023	2528	1191	0	639	7113	Lipid	0.42857143	2.0714285	0.071428575
14	C18 H29 O3 N1	308.22202	308.22247	0.1727869	308.22208	3966	7446	5282	6926	2741	5273	7483	7526	2180	7171	2592	4714	2325	3396	7953	9894	7737	2457	8882	4845	7864	7798	1331	5026	5670	9758	9402	0	5337	6889	22324	9335	12889	6811	14011	6631	5344	4761	9947	6641	0	3552	0	0	0	4184	6383	0	15144	12771	4536	7562	3106	2100	0	1413	1086	10925	0	6574	0	1428	3309	2363	995	5657	3657	4633	0	10427	11082	5725	4802	6901	5100	8540	0	5391	2962	0	2518	0	0	4343	1093	0	11929	7959	4685	40003	30570	0	15099	8282	20259	0	6730	4547	2174	0	0	7698	4732	2786	0	6572	0	0	4552	4481	Lipid	0.16666667	1.6111112	0.055555556
26	C18 H29 O3 N1	308.22202	308.2224	0.21637784	308.22208	10251	9923	11112	8548	6305	14004	6811	10979	3404	18808	10729	6005	4525	6726	0	29005	12614	8428	5846	15200	14032	7224	0	5872	9799	5572	5969	16889	10920	19425	16196	13691	16602	9513	7344	16819	8690	4976	15208	6124	7741	17420	0	0	0	13769	13726	0	24361	36197	9829	9470	6600	0	0	0	3294	17797	6164	31615	27028	3224	6431	2914	2250	12333	6677	18207	0	4934	4329	7947	8072	12358	11068	18757	0	5408	4742	13634	2695	4438	6021	6276	0	0	17171	9225	6007	14466	30208	18589	15431	7114	21646	0	7361	10457	5157	3337	0	15948	4831	9932	6219	7735	5827	0	6955	19160	Lipid	0.16666667	1.6111112	0.055555556
4	C18 H29 O3 N1	308.22202	308.2226	0.04427226	308.22205	25931	30871	27649	31455	2265	11798	25840	61561	1522	22725	9424	30420	495	2445	29655	55460	36497	4077	6119	32376	26653	26316	23887	53581	40572	8113	32619	9574	42447	38905	41619	46460	41547	34538	23841	47262	40829	26528	39376	31638	16848	44118	0	0	0	18738	20137	0	53120	52769	26571	23698	5898	0	1333	309	148161	43073	0	399	47248	15099	1429	1555	17477	3193	45757	48940	5570	12561	9524	44376	36063	54861	45051	34917	0	31572	25724	20628	26142	2486	3494	24619	872	4250	22044	8630	13162	63052	39584	10853	79419	19213	39231	0	27192	31444	8386	0	827	32701	24976	38836	7117	39479	1586	0	45150	1448	Lipid	0.16666667	1.6111112	0.055555556
20	C18 H29 O3 N1	308.22202	308.2224	0.1849214	308.22208	22004	28088	27430	20989	14632	61774	24068	20731	3848	49818	9100	7301	13441	29492	6466	54915	34668	10285	6707	16757	29381	14596	2002	10409	5059	25609	29399	11391	13253	44658	11755	39072	73944	19542	24109	30129	19674	5418	23675	27480	43939	57702	7978	753	346	49384	70154	732	119979	138668	26541	26667	7663	22573	0	2994	5478	26768	6932	200494	26885	5709	37375	2131	6449	57407	7662	61286	15712	8706	30840	16701	10448	13339	44040	50832	1372	6569	8166	12720	2922	3258	5131	9059	5738	4647	15255	43982	6746	62093	57601	14866	52964	11063	120630	2040	21473	31679	7437	3543	8843	19109	4341	15954	5410	13555	7119	0	5643	122378	Lipid	0.16666667	1.6111112	0.055555556
24	C18 H29 O3 N1	308.22202	308.22238	0.13744625	308.22208	47526	45096	41973	46246	39710	114689	10135	32277	13247	139282	33367	13864	37075	36262	13178	105450	52064	38168	29879	48952	63257	31559	14028	30614	18154	36583	15172	39034	41608	97641	28087	83601	112187	42445	61613	69807	39527	12285	42848	42578	53553	88825	15216	0	0	68411	90319	2526	182785	300173	48491	39798	25759	50190	13209	9872	12543	42737	14682	356537	50897	16452	60806	10086	8695	99864	37952	61049	29604	27734	24939	33726	26753	36226	40101	131739	0	10751	14945	39240	7706	23225	16471	20304	14208	15460	38346	78030	24053	56003	121828	60523	92008	29381	181774	2098	45037	50003	21256	9515	12270	43321	15796	35264	20945	53976	21704	0	20669	200040	Lipid	0.16666667	1.6111112	0.055555556
6	C18 H29 O3 N1	308.22202	308.22253	0.078984246	308.22205	39029	47727	47470	45518	6548	14142	44246	93580	3512	42390	20375	35701	1927	5943	40482	96468	42754	8581	14339	52211	47478	47736	33413	84760	49708	15748	49422	16342	63474	62977	73162	75221	63858	61366	51273	64717	63489	31325	58343	39045	11504	17025	0	0	0	31078	23472	0	95487	74165	44934	44386	12530	0	3882	971	8552	95226	0	0	83076	18130	3106	3223	5778	7346	19199	65597	15660	28375	24242	82777	56558	75767	51176	60210	0	39649	32751	28379	29093	3979	3367	31930	1887	5619	38765	20653	21306	170252	73715	14093	122434	25275	59942	0	44230	39894	2952	832	912	64735	37188	52972	18619	69424	3621	0	42745	4407	Lipid	0.16666667	1.6111112	0.055555556
18	C18 H29 O3 N1	308.22202	308.2224	0.14063564	308.22208	9403	10595	8180	8513	2405	23639	5582	4497	3785	25436	7414	3042	3738	9126	2034	18989	13479	4921	3773	9170	11683	8966	1981	5295	1715	4750	5968	4186	4002	12407	4621	13772	23890	6639	19378	13043	8520	1945	9856	6228	16837	18838	2038	1115	318	15721	37622	2251	38508	47397	11683	9928	3716	12182	0	0	2842	7016	1347	101865	12241	1239	13334	1688	1225	31952	3702	33756	7663	6466	17540	7452	2630	4471	17443	17731	418	1688	12006	4722	3073	0	2473	2928	1328	1973	12328	21290	3014	29324	39153	7125	26340	8381	73249	772	12668	11182	5204	1423	5895	5311	0	3722	0	8624	5945	435	4694	52238	Lipid	0.16666667	1.6111112	0.055555556
8	C18 H29 O3 N1	308.22202	308.2225	0.103125095	308.22205	46966	50623	44263	48129	10199	11359	37767	105977	7662	37653	22209	46686	5540	5386	39057	99446	39746	11404	15837	58047	40696	39332	30694	53556	126230	35560	57634	23552	51800	65001	71974	68291	58943	49692	53237	61651	65822	35105	49357	27862	7403	16197	0	0	0	23690	24032	0	92211	90745	47035	47364	12984	0	5479	2094	9463	100934	0	0	91759	10443	4034	6335	8411	8811	21604	57859	22596	41923	45027	79841	54555	56005	49087	56097	0	45042	34456	33448	27677	1647	1456	23978	2909	10740	47708	16062	21323	349941	74450	12051	162754	20914	51926	0	45191	49406	9173	3038	2352	50669	43526	31681	0	61603	7188	0	47754	5206	Lipid	0.16666667	1.6111112	0.055555556
10	C18 H29 O3 N1	308.22202	308.2225	0.14163809	308.22208	29602	33978	32660	32204	10276	11012	71513	94100	5499	26877	18569	58335	9254	3470	16938	69736	24482	6750	11769	29368	26756	17011	19841	39767	26851	17939	106483	14182	47952	73152	51606	50589	35732	25853	36285	39408	33309	25151	26723	20436	2906	12581	0	0	0	15091	15055	0	92414	101797	30925	31470	9595	0	2858	1839	7978	72707	0	0	75351	6160	1534	4079	8647	14044	16293	36831	13291	30995	29058	38612	27597	39089	41992	37611	0	48416	48078	26419	43178	962	0	14936	2984	6893	45577	12497	12344	58399	63721	2063	59252	22540	38354	0	34259	32118	5494	1474	3625	29689	49661	22544	0	33168	4148	0	57415	5037	Lipid	0.16666667	1.6111112	0.055555556
12	C18 H29 O3 N1	308.22202	308.2225	0.18537466	308.22208	13837	14347	12001	12301	6206	6858	29418	22175	1432	11357	4899	11706	1337	10059	9872	31427	12699	4727	6031	25612	18644	5732	8799	12237	26423	10020	32084	9322	13189	14313	15292	11918	17540	14323	17821	13028	13178	12911	11444	15407	0	7674	0	0	0	9816	7157	0	20527	13046	19921	15005	8436	0	1916	1231	4971	26889	0	0	21920	6489	2704	0	2856	4948	6761	19889	0	18376	18117	14208	12183	11360	14731	12731	0	15366	11523	0	5501	0	0	13433	1066	3529	27994	7318	8339	195328	46256	4567	87428	12314	22972	0	10749	14889	2778	0	1663	15210	10547	7118	0	28527	2476	0	18470	2014	Lipid	0.16666667	1.6111112	0.055555556
8	C15 H33 O5 N1	308.24316	308.24365	0.325532	308.24326	1189	1680	0	1816	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	894	2099	472578	0	0	0	0	0	0	0	0	0	0	0	0	0	1275	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1521	2258	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	2.2	0.06666667
12	C19 H33 O2 N1	308.2584	308.25888	0.1405831	308.25845	55624	62474	58446	56988	7506	24182	17004	177653	7424	5665	4938	35091	0	938	14660	130193	186065	4554	14229	10354	4914	0	24375	60870	45180	855	30021	0	162404	159093	312862	283371	152302	286799	3858	946798	146952	18173	103382	6899	0	66773	0	0	0	11412	3680	0	194619	155547	57249	60845	22844	0	3697	0	11075	140653	0	0	99391	0	0	3479	20717	5559	50701	293370	0	3328	5144	83809	180530	128428	218596	132162	0	28202	51961	0	25690	0	0	3874	0	6497	96580	26594	51266	67661	24603	0	77136	0	5207	0	54755	62247	2661	0	0	147476	20755	5050	0	107186	987	0	47082	0	Lipid	0.10526316	1.7368422	0.05263158
16	C19 H33 O2 N1	308.2584	308.25885	0.20467812	308.25848	63083	53506	58051	54946	0	2719	28850	110099	0	4435	8915	34778	0	0	30914	405891	135272	4109	8093	5648	4471	2853	68418	584095	147990	0	60383	8150	89457	68834	69776	116554	164842	121955	4667	94964	154269	35948	34246	2305	0	15379	0	0	0	28682	22030	0	111280	343930	59906	48903	4772	0	0	0	4810	365157	0	0	344323	0	0	1446	11555	0	10992	293031	0	10495	2421	141759	58044	50634	158660	78359	0	23231	64250	9171	55947	0	0	2321	0	3795	100651	74260	60129	429580	12668	0	433702	3526	3036	0	46994	49001	0	0	0	147272	21428	0	17933	341723	0	0	74461	0	Lipid	0.10526316	1.7368422	0.05263158
20	C19 H33 O2 N1	308.2584	308.25864	0.18022746	308.25845	1829	2211	3221	2093	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1557	1743	20870	0	0	2141	0	0	20486	14494	30171	19611	12626	2151	7697	19390	2743	0	0	0	0	0	0	0	0	0	0	4418	0	0	0	0	0	0	0	0	3459	0	0	4533	0	0	0	0	0	0	1792	0	0	0	1407	9754	2039	15626	16821	0	2082	2721	0	3648	0	0	0	0	0	22264	0	0	39235	0	0	3623	0	0	0	0	0	0	0	0	16638	2150	0	0	16210	0	0	3069	0	Lipid	0.10526316	1.7368422	0.05263158
8	C19 H33 O2 N1	308.2584	308.25885	0.1557204	308.25845	0	1436	2451	2659	0	0	3515	6664	0	0	0	1774	0	0	4220	4499	1126	0	0	897	0	0	1523	5278	5223	0	5243	0	2797	3557	6008	3445	1702	3677	0	3732	4383	2961	2784	0	0	0	0	0	0	0	0	0	6576	4128	2244	2993	0	0	0	0	555	3571	0	0	4329	0	0	0	0	0	0	2858	0	0	0	4638	3230	4629	3730	2182	0	2817	2736	0	2890	0	0	0	0	0	4122	0	0	55778	0	0	9159	0	1269	0	2389	1591	0	0	0	2116	1802	0	0	2867	0	0	3955	0	Lipid	0.10526316	1.7368422	0.05263158
24	C19 H33 O2 N1	308.2584	308.2586	0.207309	308.25848	3020	1676	2721	2639	0	0	0	0	0	0	0	0	0	0	0	3828	0	0	0	0	0	0	0	0	0	0	1446	0	0	0	1886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1859	1278	0	0	0	0	0	0	1665	0	3479	1415	0	0	0	0	0	0	0	0	0	0	0	0	0	0	892	0	0	1346	0	0	0	0	0	0	0	29751	0	0	235725	0	1726	3095	0	0	0	2962	1861	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.10526316	1.7368422	0.05263158
6	C11 H4 O7 N2 S1	308.9812	308.98166	0.07087532	308.98123	0	0	0	0	0	0	0	0	0	0	1021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3090	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6829	0	0	0	0	0	0	0	0	0	0	18146	24096	0	2426	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.6363636	0.36363637	0.18181819
16	C14 H12 O6 S1	309.04272	309.04324	0.30281866	309.04282	5492	8591	5087	6960	12820	8527	0	0	9983	16511	13429	989	14204	4352	0	2235	1812	15765	19016	12404	4415	21874	1557	2055	2865	9386	1604	9546	1764	0	0	0	0	0	16374	0	2705	1518	2353	10322	14281	3797	323	0	0	2450	8520	0	0	0	4661	6344	7155	0	9428	6114	1900	5889	4398	3881	0	11288	6416	6854	3111	11423	5210	3562	9280	12508	13312	0	0	0	0	0	0	0	5196	19395	1135	4406	3424	9344	11725	3597	2748	7880	6241	0	16646	16526	0	26285	29876	0	4888	4650	5675	8445	6400	2505	0	4036	0	0	8327	0	2557	17336	Organosulfur	0.42857143	0.85714287	0.0
18	C14 H12 O6 S1	309.04272	309.04318	0.26757306	309.04282	5522	5025	6907	4071	12182	6339	2096	0	10294	7972	6214	0	15462	5055	1532	2228	0	20068	14055	3929	4499	16504	1617	3739	2262	4289	1945	3970	0	0	0	0	4213	0	7481	0	6370	1646	0	6713	7922	4210	598	0	0	4541	4306	0	0	0	3395	5857	7468	0	8453	6834	4193	0	3170	2448	3098	8655	5059	7942	2873	10735	4733	1734	5787	6724	7591	0	0	0	0	0	0	0	4810	16956	3247	4101	3467	7061	5110	4702	3996	5068	3885	4022	8443	13502	3835	18368	21813	0	5934	3390	6479	7763	6684	0	1249	3057	1680	1906	5519	0	2460	13707	Organosulfur	0.42857143	0.85714287	0.0
14	C14 H12 O6 S1	309.04272	309.0432	0.3240926	309.04285	7662	7790	4378	5257	13310	3822	0	1793	5184	16006	10967	0	15948	2506	0	0	0	11075	11806	6698	6827	22560	1140	0	1349	10281	1310	8954	0	0	0	0	1557	0	17555	0	2192	1151	1928	13496	19510	1656	0	0	0	3231	5055	0	2505	0	6179	3370	5146	0	5393	8070	1995	2334	0	5280	0	8390	3520	6760	2459	11261	3863	2458	0	12140	21980	0	0	0	0	0	0	0	0	15535	1629	5193	2464	10845	4862	3421	3211	3121	4996	0	5750	12971	5774	23968	35027	0	2990	6783	10993	7596	3657	2150	0	4168	0	1864	8001	0	1719	10184	Organosulfur	0.42857143	0.85714287	0.0
16	C13 H12 O5 N2 S1	309.05396	309.05444	0.29259297	309.05405	3858	6569	5318	6472	3280	6817	1337	8390	0	3196	0	2295	3012	3438	4914	13537	3437	11479	23219	1806	0	8817	11305	17229	7560	0	2865	0	18793	8132	14158	19782	21417	4920	2302	16748	12333	2779	2993	2543	4745	8977	0	0	0	3687	0	0	12962	4810	4416	6131	10353	0	2278	0	884	20326	0	3807	17909	1393	1977	2864	1542	7414	13048	1498	0	4133	0	2494	2673	7457	1774	8594	0	8329	3548	0	2170	1339	1461	0	0	0	5331	12509	20420	0	6912	5777	0	5923	3410	0	5665	6994	0	0	0	17845	6011	0	0	23104	1350	0	3431	4649	Peptide	0.3846154	0.9230769	0.15384616
12	C13 H12 O5 N2 S1	309.05396	309.05447	0.35065013	309.05408	9950	5325	5383	7045	18628	12520	19597	14747	6178	1731	0	3653	4415	4993	13674	21693	3819	11520	16408	0	3203	7705	12088	21255	23270	0	10973	0	15820	3865	7708	13379	19525	4437	2664	12491	16427	16465	7648	4558	10236	10587	0	0	0	5852	4264	0	9579	4185	7137	5842	13535	0	7742	1805	7165	24185	0	0	20223	2419	2943	6035	12516	9386	11894	4729	0	3019	2336	1852	2699	4105	7840	9028	0	7683	16122	0	17730	4670	1716	2181	7469	12100	38074	15417	24214	16350	5247	5793	11922	3551	5017	0	8831	10487	7777	4527	3081	14794	5381	0	0	16205	11256	0	25085	11249	Peptide	0.3846154	0.9230769	0.15384616
8	C18 H12 O3 S1	309.05798	309.0589	0.81168675	309.05823	0	0	0	0	3286	900	0	0	4097	1580	0	0	2901	1719	0	0	0	1352	1346	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	800	0	0	0	0	0	0	0	0	0	0	0	2385	0	2070	1591	1612	0	0	0	0	0	4926	5266	1669	4075	1634	0	0	0	0	0	0	0	23370	0	0	0	0	0	0	0	0	0	2219	0	0	1631	1500	0	0	0	0	0	1505	0	0	971	2056	4378	2956	0	0	0	0	0	3581	0	0	4157	Organosulfur	0.16666667	0.6666667	0.0
24	C14 H12 O8	309.0605	309.06085	0.19653723	309.06055	5047	6520	3134	6727	13916	9757	2011	1874	16680	1388	0	4312	22329	10982	2776	2527	0	26865	18128	0	1436	3100	5866	2925	0	0	0	0	0	1435	2460	1252	2375	0	2418	0	2880	2728	1188	1241	1994	2867	0	0	0	0	2512	3277	1064	0	4631	2845	10900	0	19630	12670	5924	1922	876	1173	1909	1577	25888	15480	4931	21543	5830	1871	0	0	0	2035	0	0	0	884	0	1606	8986	3083	9570	1678	1351	0	23007	10746	6032	5636	6551	0	0	1901	1998	5095	3345	1966	4853	4924	9540	15361	14213	3774	3287	0	0	1226	6632	0	1685	31147	Phytochemical	0.5714286	0.85714287	0.0
26	C14 H12 O8	309.0605	309.06085	0.22694431	309.06058	5807	4984	4658	3084	15676	10733	0	0	15000	2681	0	3541	17444	10639	0	0	0	23372	17082	0	0	3635	7322	0	0	0	0	0	0	0	0	0	1443	0	2579	0	2915	2623	0	0	0	0	0	0	0	0	0	0	0	0	4206	5822	9607	0	19442	11092	4976	0	0	0	0	0	29554	16008	0	11299	3364	0	0	0	0	0	0	0	0	0	0	0	5666	0	6679	0	0	0	14744	9571	4708	3844	4279	0	1388	0	0	2690	0	0	3571	0	6081	9857	8289	0	0	0	0	0	0	0	0	30131	Phytochemical	0.5714286	0.85714287	0.0
4	C14 H12 O8	309.0605	309.06116	0.34832624	309.0606	4047	5293	2837	3960	11764	3082	1372	1226	12417	2164	1822	1118	16714	3452	1540	1051	1854	10729	11244	2287	3543	2776	3018	2234	557	719	860	0	0	670	512	1231	2252	829	4054	0	2300	1613	2125	1304	2460	3528	704	340	894	2382	1533	674	0	1355	2431	3491	6123	526	11156	15339	4737	2527	1130	1490	1460	895	22445	13536	4078	14652	3007	2621	1427	1253	1864	740	744	765	0	802	330	1026	3816	0	3320	1174	1021	509	13033	4305	2493	4486	4631	1484	0	1010	1982	2559	2368	1146	3188	3836	10324	23555	20112	2474	1272	1460	0	1888	8592	403	896	20686	Phytochemical	0.5714286	0.85714287	0.0
22	C14 H12 O8	309.0605	309.06094	0.31652105	309.06058	7367	7264	5023	8292	26380	15225	3880	1659	25599	3477	2187	5545	33592	20084	8307	3361	2617	35295	26087	0	2326	5150	8023	4785	2332	0	3109	0	1840	2099	3001	0	6169	1140	3124	2948	7204	7907	0	2667	3075	4712	2590	0	2968	2541	2137	3856	2199	1940	10390	6086	17511	1734	29424	21519	10158	2296	0	3021	4080	2182	42361	27832	6712	35882	9067	1654	0	0	2864	2701	1291	0	1151	2339	3085	3327	18080	6462	11193	3535	0	0	35875	18019	13388	9120	10538	2174	0	4466	0	4994	5115	0	5906	7899	13867	28958	23973	4641	3252	1609	2419	4956	14677	0	3923	48305	Phytochemical	0.5714286	0.85714287	0.0
28	C14 H12 O8	309.0605	309.06085	0.19203275	309.06055	5193	4205	5380	9296	12577	9027	3941	0	12755	2865	2610	2929	21461	13343	4573	0	3464	18090	20461	2929	2331	6446	5024	2568	4502	0	2556	1572	0	2515	2406	2061	4300	1831	4355	0	3158	3026	1746	2110	3619	5757	2937	0	0	0	0	3876	1945	0	6500	4530	9981	0	17107	11080	5931	2704	2727	2612	2437	2629	18390	13379	5361	16661	6917	3591	0	2007	2315	1820	2465	0	0	2606	0	2571	6326	4364	8316	2580	2357	0	17121	7804	5100	4558	5900	2205	3028	1931	3994	4290	4821	2577	7136	6504	10906	10842	14951	4299	3445	0	3604	3116	8586	1586	3291	23212	Phytochemical	0.5714286	0.85714287	0.0
14	C13 H12 O7 N2	309.07172	309.07224	0.30497333	309.0718	13044	11330	9803	12060	20241	13402	2973	6115	13781	7088	8581	7711	25178	7098	9935	12151	9993	24816	21862	3069	12879	30539	13575	13955	3547	0	5677	0	5046	3881	4137	0	12477	8674	12113	5463	11054	8190	12249	8740	24437	10126	0	0	242	8595	13063	0	7649	4639	14437	6123	13988	0	23345	12348	9751	12410	5717	7940	0	7222	26716	26039	8281	22302	9863	15932	0	0	5247	4591	2903	2560	6917	3887	0	6055	13500	0	11568	5446	5130	2704	18111	6869	18657	15385	12237	28417	6059	10832	26369	22582	14251	0	14996	11197	12800	14116	12821	11790	8462	6931	0	13322	10226	0	7441	41673	Peptide	0.53846157	0.9230769	0.15384616
22	C18 H12 O5	309.07574	309.07617	0.21557315	309.0758	5892	8750	8302	8575	7644	4709	4581	5271	9631	9053	15923	3703	6103	9139	4626	3481	7937	9268	11319	5524	6923	13416	4676	4270	2736	14068	5567	7809	5196	3293	3436	0	4805	3110	15480	3018	5045	5455	6063	8471	13784	6507	0	0	715	7413	9537	0	3992	4320	4624	8538	9348	980	4966	6525	7469	4608	3620	6528	3348	4533	9771	5812	6233	11485	9236	6750	12483	8716	17418	1627	1527	1896	2150	3491	637	4193	8677	15458	8673	6912	4640	10688	10216	10585	13024	11475	9458	15034	4427	5484	5156	21980	16787	0	9426	7969	10182	7574	8493	7067	4890	5647	5130	6887	9607	0	6795	9743	Phytochemical	0.2777778	0.6666667	0.0
16	C18 H12 O5	309.07574	309.0762	0.28950164	309.07584	7347	9688	8614	8833	9235	6783	2925	4110	7908	16529	11396	3459	7151	6912	2382	5488	3570	12236	19254	7791	14875	19236	4544	5326	6832	17834	3110	13816	2013	2281	3312	3080	3284	2686	30025	2942	2971	2688	5329	13039	15603	5148	695	355	432	6954	9379	0	2521	4021	6720	9948	8506	287	5664	6951	5784	7209	4143	5660	7175	6188	8885	5365	4255	8410	6893	5950	17143	20431	24136	1720	0	0	3485	3947	0	4018	10286	11545	9550	7942	4547	8093	7478	4897	11605	9845	10061	26414	13214	13605	0	12726	18067	501	6948	7849	8604	7739	7168	2493	4903	3119	6306	0	7399	0	7205	8010	Phytochemical	0.2777778	0.6666667	0.0
18	C18 H12 O5	309.07574	309.0762	0.30237493	309.07584	15239	13116	10603	11114	14693	7643	5484	6592	9293	23977	29736	7047	12777	12177	6301	9853	9733	20645	27581	18203	24046	26899	10342	7699	6459	26235	4304	20047	5428	3933	5856	5525	10205	0	36811	2260	5836	6775	8541	15957	20895	6716	1080	338	539	10874	13095	656	4932	3397	12301	11315	11456	551	12385	10117	8861	9402	5191	8745	5949	9175	20457	7359	7403	18352	12410	5806	26702	24352	37196	5994	2267	2681	3876	0	348	3513	15433	25411	8892	8722	5977	13677	17240	8727	13980	14423	9326	14634	14381	8536	15981	32280	33599	785	13651	10899	14851	14203	8918	8648	4697	6626	7082	8821	7439	679	8216	10313	Phytochemical	0.2777778	0.6666667	0.0
20	C18 H12 O5	309.07574	309.07617	0.26019236	309.07584	13285	15237	17202	11807	15575	9186	6673	6571	15765	27517	27000	6266	13474	14818	7958	10118	12205	21421	24157	20984	22755	24700	9152	8894	9636	26114	6086	23043	4201	7966	5244	5514	9997	5876	36552	5129	7983	6312	11521	15444	30395	11405	2033	0	486	11756	17058	964	3285	6460	13126	20192	13410	783	10210	8786	11095	11688	5307	12465	6989	11249	22586	9188	7490	17973	16476	12193	23354	19710	31991	3388	4388	2232	4216	7897	569	5219	16050	26652	11843	14062	5629	13513	12796	10910	16499	16625	13841	21144	10883	13874	14293	32657	23253	1536	13884	11855	14633	15143	15002	11874	5628	5466	13684	12781	12867	0	9348	18083	Phytochemical	0.2777778	0.6666667	0.0
22	C15 H16 O5 S1	309.07913	309.07956	0.2537615	309.0792	6805	4719	6833	7607	11839	11440	3440	2302	9961	17693	8158	1932	8859	9672	2429	4642	3314	15730	8177	14536	18360	19356	2661	6671	5429	12495	2162	9641	2524	2204	2555	0	7475	2481	17065	2155	3905	2786	4840	17248	15237	8012	0	0	298	6449	9990	0	3608	0	8532	6833	9306	412	7510	9518	4636	6040	6928	6413	5820	13376	5172	6333	4232	11595	7054	3778	6406	11229	12015	1983	0	0	2214	2945	0	0	2683	14911	3045	4305	5402	10204	5711	6265	4051	6432	9695	13610	25114	23449	9634	14684	26053	0	6071	7211	10150	7379	2916	7360	1866	7520	6925	5416	6976	0	4707	12146	Organosulfur	0.33333334	1.0666667	0.0
18	C17 H12 O4 N2	309.08698	309.08746	0.300972	309.08707	2809	3278	4582	3388	7280	0	4712	2735	1734	0	2672	2742	3827	2178	2816	5836	8463	2141	4312	0	2122	3571	2506	4739	3289	1688	3804	1896	0	2607	2395	2901	5589	0	0	0	2567	4465	8579	2018	9630	4535	0	0	0	2077	5669	0	4660	2124	2521	3249	4081	0	1606	2199	2091	4509	0	4383	5000	1486	2702	2551	0	3150	2312	11576	0	1886	6002	2016	1331	0	6624	0	0	1290	7394	0	4365	1840	0	0	6161	2167	5730	6240	4635	22979	0	2740	8335	4828	4154	0	2470	4197	1454	5453	5469	3894	0	1943	0	8630	2535	0	5822	3190	Phytochemical	0.23529412	0.7058824	0.11764706
4	C6 H17 O5 N6 S1 Na1	309.09515	309.09515	-0.41923785	309.09503	898	734	1100	819	1068	492	606	0	966	0	0	891	510	0	528	2665	0	693	1695	0	0	717	0	917	0	480	1048	0	0	578	669	0	0	0	0	0	768	642	0	0	1068	752	0	0	0	0	1804	0	0	904	829	829	1245	0	1147	1098	1090	718	2243	1265	0	1111	764	1312	0	1117	1211	0	0	0	0	606	389	416	38586	719	0	585	519	0	881	0	873	0	1245	999	545	1019	1155	763	0	0	682	0	1238	0	992	841	1273	2139	1024	1038	912	1052	0	560	1882	0	0	958	Organosulfur	0.8333333	2.8333333	1.0
6	C6 H17 O5 N6 S1 Na1	309.09515	309.09595	-0.42212814	309.09503	3673	3057	2641	3599	4336	2285	1659	894	4458	3118	2749	1970	2740	2079	1670	3832	2300	3053	3756	2860	2531	2519	1848	896	553	0	4998	0	0	2985	1670	2438	2283	2552	1944	1120	2936	2654	3507	0	3640	1713	0	0	0	1585	2310	0	4272	1350	3042	3436	3653	0	3303	2932	5104	2358	6251	3400	2342	3001	4077	4053	2086	3600	4616	3081	0	0	0	1632	2389	1314	155576	1925	0	1473	2609	0	1774	1734	2778	1614	2411	2307	1735	3252	3530	2428	0	2535	1201	1720	2956	0	2642	1654	4649	3759	3317	1962	1978	3765	0	1455	7519	0	1201	4168	Organosulfur	0.8333333	2.8333333	1.0
20	C15 H16 O7	309.0969	309.0973	0.20330833	309.09695	102368	114618	98170	83998	133784	107021	151042	78601	143250	99635	147718	78812	205856	83788	137763	86442	62882	170402	167892	79320	80206	96510	103876	91391	67066	53555	121733	177586	72419	66727	67861	69049	109247	69645	118007	58660	111532	121499	62050	86697	68751	72308	14193	12031	13610	80386	62160	13768	71620	61912	97137	107377	114003	9824	178696	125106	97835	90101	66344	51622	77645	55258	173773	147907	66950	185018	79953	59733	59097	75782	88419	67941	73435	68202	106564	65587	12719	67758	101475	54958	91491	52679	53603	56505	130331	90257	99571	87771	81104	58701	68324	75542	92634	57128	63441	13925	104930	103600	97252	136786	143342	87228	89187	68287	64406	69406	87699	13684	80178	214149	Phytochemical	0.46666667	1.0666667	0.0
4	C13 H16 O3 N4 S1	309.1016	309.10223	0.33832252	309.10168	4112	3908	2647	2919	9293	6676	5663	2498	8009	0	0	2580	7390	29988	12801	5860	0	5227	3738	0	0	1813	14682	47823	19232	0	7966	0	2246	1468	3428	2234	10237	2967	0	1729	7514	9333	0	0	0	1074	0	0	0	7668	0	0	2704	2339	3168	2672	3477	0	8282	14510	1986	6353	0	0	6069	0	5494	2629	1994	3966	3107	0	0	0	0	1924	565	748	0	0	0	5283	6475	0	11010	676	0	0	7532	9200	4716	2753	2318	1559	0	0	9057	0	0	0	3184	3881	5818	6613	6477	8893	4541	0	0	12050	9193	0	11220	3859	Peptide	0.23076923	1.2307693	0.30769232
6	C18 H16 O1 N2 S1	309.10562	309.1062	0.9686632	309.1059	0	0	0	0	0	0	0	0	581	0	0	0	0	728	0	0	0	0	0	0	0	2294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	664	0	0	0	0	0	0	0	0	0	0	0	0	0	918	0	0	0	0	0	0	0	27899	0	0	0	0	0	0	0	538	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	684	0	0	0	0	Organosulfur	0.055555556	0.8888889	0.11111111
10	C14 H16 O6 N2	309.10812	309.10858	0.16250788	309.10815	440170	397896	375908	351773	255960	233778	254787	447965	300128	337217	240623	348283	358950	113077	340449	495718	478531	466308	494705	317450	423816	664015	416980	551188	260302	72099	278051	152533	370551	341919	340746	391071	570249	389942	422557	324854	535518	330687	599000	402940	523574	318737	5525	1494	1325	320395	338505	1300	417503	355804	415764	415954	318548	2510	417243	190423	189044	528553	337549	372309	548017	284402	315150	372115	192986	373784	297037	606117	202427	213422	260548	377846	337003	297982	376104	347865	627	288674	389337	203113	349750	237575	229990	140141	235116	197033	417462	360525	347185	741774	229744	330685	885660	322307	357019	2462	422172	402288	194549	206253	197138	495919	307436	364611	226826	544579	204169	1345	335928	512429	Peptide	0.42857143	1.1428572	0.14285715
8	C14 H16 O6 N2	309.10812	309.10864	0.1631742	309.10815	549672	608676	462973	558640	372530	304508	338357	571651	446833	406435	308699	494592	474985	126750	471729	725536	721430	600777	756716	437432	545835	853834	568608	727966	312002	71647	384937	181150	463825	451162	473320	578614	681906	512388	629515	466776	724889	470700	876974	474695	671445	465711	4470	887	763	413855	478833	761	602725	509070	521224	553446	422169	1275	538593	245905	314052	607226	366844	477538	657410	360444	502082	537403	282990	505312	454758	857984	221196	235859	343371	544452	503651	364414	472026	497878	603	416456	557902	231084	440833	273499	291461	181521	305450	266544	529434	582185	573039	1084103	229992	425418	1196766	374466	382405	2080	555629	530443	275169	292634	270245	683594	452581	485650	198194	761378	284551	720	411136	693343	Peptide	0.42857143	1.1428572	0.14285715
4	C14 H16 O6 N2	309.10812	309.1087	0.18221085	309.10815	234990	272668	230792	231308	179469	127024	118900	280447	189548	125428	148044	298802	206126	69589	161302	306372	609176	282124	313658	133698	199349	287585	235285	281664	70124	24378	132187	65646	202392	222262	230019	248196	372702	189688	212935	268147	370438	170539	686112	118481	215421	266742	2897	724	961	143080	188840	768	283147	265868	255754	224651	208825	839	197512	143351	145245	249185	101458	169110	292863	93920	236612	209670	141677	235033	207144	660484	73742	53745	101847	226463	259398	241831	260233	251614	402	190368	176621	63980	169682	81947	67657	36484	179068	140334	160924	327642	301371	476145	60369	90438	401292	106047	100791	2682	226393	266722	142993	193098	176415	384610	228993	151030	108474	365644	163197	865	119917	311442	Peptide	0.42857143	1.1428572	0.14285715
12	C14 H16 O6 N2	309.10812	309.10858	0.16861144	309.10815	261527	252940	291188	258624	200347	161922	221360	275097	198833	185842	134182	189118	199606	83589	207548	337498	402198	330300	343894	210296	209282	417921	269237	354455	189495	38270	189478	108291	246642	201753	223357	249883	374488	232917	250076	209086	361466	225303	503584	224183	274607	215801	3186	1444	1073	207822	202226	1220	284402	223030	265160	252547	229200	1831	296553	114550	142692	352238	194584	206669	312278	181929	225791	241964	121968	249622	206091	434171	89572	127882	154101	228343	198718	174486	231165	207767	563	199028	308248	186330	245195	141136	150551	95635	139043	131790	317707	258102	230926	638985	175485	275900	632859	179999	178412	1635	268859	278554	133880	118312	114344	333492	205630	186346	133553	385701	145297	921	238665	375425	Peptide	0.42857143	1.1428572	0.14285715
20	C14 H16 O6 N2	309.10812	309.10855	0.2882837	309.10822	4888	7522	7590	5394	3979	5745	5942	6801	3853	0	3925	8495	2854	0	9210	9308	13807	5891	5794	0	0	7453	8047	10121	7280	0	5344	1490	4936	6859	4862	7566	10135	7435	2970	5258	7900	8053	12383	3057	3631	6085	916	1234	1092	4403	2169	1032	8751	5242	3354	6051	4829	1240	4024	3173	5208	11757	5389	7762	9454	2416	3325	3055	3512	2214	5439	14516	0	1839	1748	6543	4799	2045	7198	5165	913	6311	10643	4580	5700	2993	3234	0	3225	3434	11646	7949	6904	20828	9156	8475	17334	3567	3417	0	5511	4331	2531	1930	2775	11983	6014	6496	0	8029	1799	1514	9819	6126	Peptide	0.42857143	1.1428572	0.14285715
6	C14 H16 O6 N2	309.10812	309.10867	0.20156337	309.1082	539632	595184	529787	570134	426221	340956	287567	640423	449993	381522	327538	500408	503544	135658	449208	705992	657663	767578	854913	367374	532751	781413	564560	716292	227177	50852	302429	152156	498017	452325	590464	551336	877314	525829	533629	501702	827256	421884	870159	288207	585322	532519	2697	800	552	386832	460356	690	658540	537009	593176	556449	512643	1433	538285	258214	297983	656812	292370	474581	661439	256828	551276	482303	247276	562509	581690	973152	160403	196159	301481	517353	478176	393957	359667	460046	629	383840	378328	147703	347814	214101	213498	115633	301533	262910	428876	705356	675948	980932	171237	336676	1251758	299473	302242	1961	550250	506650	243466	269634	302210	871496	478133	436995	250116	915464	304160	559	286316	827395	Peptide	0.42857143	1.1428572	0.14285715
0	C11 H20 O6 N2 S1	309.11148	309.1119	0.06393665	309.1115	0	2707	2358	2480	0	68773	0	2812	746	1732	7975	0	0	0	0	0	0	0	1840	0	0	1968	0	0	0	0	0	70481	8226	0	3796	2549	7295	0	0	0	0	0	0	0	0	6115	0	0	517	0	0	729	2214	0	2897	2029	2514	380	691	0	0	6123	0	0	0	0	0	0	1182	0	2977	0	748	0	0	0	0	0	0	2240	475	0	0	24475	0	591	0	0	0	0	0	0	2386	0	204174	93092	0	12379	0	881	0	0	0	790	0	0	0	0	0	1764	0	414	0	1002	Peptide	0.54545456	1.8181819	0.18181819
6	C11 H20 O6 N2 S1	309.11148	309.1119	-0.12873274	309.11145	4968	5481	6307	5921	0	12196	12150	20495	751	1582	2223	6402	0	0	10377	13656	23531	2751	2688	0	1272	0	6737	11932	6622	580	7728	21154	19011	19771	11611	13837	15704	16009	1917	16404	15405	4969	16202	0	1005	3323	0	345	520	4500	1695	540	17950	16640	6502	7167	2155	342	1958	798	2269	14409	1500	0	19013	0	873	797	1302	2100	3256	13406	0	0	3135	12063	13634	18744	6645	15286	354	9149	1833	0	4446	1956	0	0	1340	3064	4453	3267	2959	6489	0	3241	7665	892	0	567	5057	6913	2082	1338	993	21270	8812	0	0	8129	1450	305	6302	1191	Peptide	0.54545456	1.8181819	0.18181819
2	C11 H20 O6 N2 S1	309.11148	309.11215	0.17441528	309.11154	6183	3386	3824	3095	2114	196879	710	1227	1183	747	1975	860	0	1264	2635	283	1265	1511	1133	648	0	1578	1252	0	1630	0	0	177718	1927	1765	2074	3096	4121	1925	878	1604	2159	904	0	493	0	13470	654	270	576	1063	594	633	1526	1077	3844	4700	1170	355	792	1143	712	10183	426	573	915	367	1497	617	0	1830	1750	1625	0	308	0	1328	1687	1040	0	1352	504	1231	356	20372	932	0	0	375	2042	1552	886	1980	1857	0	21248	36141	3402	2718	0	1271	4517	3507	1380	821	0	1701	1106	557	726	1435	0	427	764	1048	Peptide	0.54545456	1.8181819	0.18181819
14	C19 H16 O4	309.11212	309.1126	0.23088704	309.1122	149297	156111	142544	145599	109069	107072	135763	146154	101541	107993	87127	120723	109829	56322	131533	190258	205970	161602	154441	98930	103233	251527	150258	196817	130711	54941	127617	79174	111380	116081	116113	141628	199788	133811	144211	128148	181360	132703	237836	130128	148033	117795	0	1738	1404	107214	98680	2584	162204	115697	140810	130763	130528	2079	120974	59732	81964	214244	113089	120931	187617	90785	100991	116226	72954	142424	108153	227816	66739	84899	131175	125567	117392	88816	143406	116256	1131	110181	166760	99578	143855	76675	95025	65054	73599	73806	183648	160064	150503	335410	125101	154103	357869	124282	141930	3002	142049	132280	67057	66755	64986	182059	113502	124361	53060	227894	69322	1543	148292	145375	Phytochemical	0.21052632	0.84210527	0.0
20	C19 H16 O4	309.11212	309.11255	0.22823213	309.1122	53190	54402	50000	44123	45727	30260	24513	32313	39962	77016	81040	24450	39700	33287	28316	48710	30288	45702	60637	64834	86854	68669	37122	63234	53894	179546	27283	80834	29989	29348	22281	30959	29316	28892	92321	26399	40075	30615	32623	55239	91173	34377	5836	2542	1617	39777	60998	2914	33362	24593	45125	49002	44360	3144	26300	28813	30603	51563	26404	27795	40315	44342	46897	28616	24649	47781	43612	31994	146614	146284	197814	23473	21278	19242	22209	31908	776	22801	53727	59480	39191	39507	36271	53083	42236	31975	61864	39986	39688	86450	47649	55110	119042	61460	64229	6456	44102	48417	34153	29710	34759	39007	23505	43488	29889	57584	29707	1427	50860	43286	Phytochemical	0.21052632	0.84210527	0.0
10	C19 H16 O4	309.11212	309.11258	0.048759546	309.11215	11128	7755	6869	6252	2307	1322	4915	6660	2576	4895	3653	2800	2940	2135	5361	15608	6158	2444	5468	4949	3031	22398	6538	31578	12656	8409	5722	3387	4323	4490	3919	3594	6261	3560	6936	5128	5121	5913	7764	5101	6507	2066	677	0	827	12096	8032	920	4618	6010	7745	10653	3654	360	2583	2933	3373	14785	3000	4368	12542	1823	3477	2023	2342	0	3332	8453	0	6410	6160	5307	4214	6215	4901	7454	590	3657	11770	0	12540	9332	5466	4971	4012	2431	11050	1804	3972	52523	5127	3925	42379	4089	2433	1107	8428	7000	2337	3174	2669	5392	6484	4634	0	16490	2733	678	20917	0	Phytochemical	0.21052632	0.84210527	0.0
8	C19 H16 O4	309.11212	309.11258	-0.09463777	309.1121	3324	5174	2472	3497	2313	1783	2458	2475	1873	0	1546	1837	1498	1897	2637	5122	2022	1121	1905	2886	3048	9283	2191	7547	5161	1999	2308	6454	2668	2315	1339	3041	3263	1556	3289	2515	2278	2567	1749	1635	2121	1606	832	290	423	3373	5096	676	2972	3402	3060	3399	1441	325	1002	1615	1802	4478	1149	2450	4231	1839	2368	1405	0	1234	1929	2975	0	0	3411	1460	3219	2787	3127	3664	448	2038	6513	0	4659	4615	2416	2002	1500	0	6308	1060	1632	21418	0	0	11383	3101	0	837	2445	4380	1805	2138	2396	3619	2479	1863	0	4254	0	0	6474	981	Phytochemical	0.21052632	0.84210527	0.0
24	C19 H16 O4	309.11212	309.11252	0.1643581	309.11218	16473	17569	13863	20319	18695	12166	4824	9577	14254	23929	29755	6085	16420	15846	9017	12720	10914	18701	27035	24018	21926	21783	14931	21387	14409	50065	6752	27921	10981	8925	7698	5600	8646	8159	32986	8234	14015	9029	9266	21699	28954	9430	3248	0	0	18099	21581	0	8660	8180	16594	15862	14333	0	14150	15919	10797	11148	11057	13044	11376	17241	17238	10761	8168	20177	19607	10433	46803	33017	50438	7239	6099	6767	5644	5990	0	6239	20847	25100	16175	16163	8181	21978	19286	14934	19085	12384	13224	17487	12879	16720	25616	27638	22602	3632	12596	14771	13553	22052	19197	9302	7163	16096	16714	17493	11906	0	13016	14089	Phytochemical	0.21052632	0.84210527	0.0
12	C19 H16 O4	309.11212	309.1126	0.14051718	309.11218	68576	13956	65266	64478	4355	32235	8131	13663	5187	94310	62983	31843	53217	21983	37645	77086	48970	8132	69031	95778	105290	123042	10030	72128	42240	61730	9988	9094	50798	41610	8571	55851	9068	7248	125422	46544	7272	40072	64985	99895	124109	4005	1028	547	1079	10204	12187	1271	12903	48958	12813	65632	42007	1052	62375	31169	28113	68164	45308	0	0	63314	59663	4402	20308	5638	5503	8635	0	104853	17975	5963	4671	9568	46940	10935	752	7706	48890	0	44609	14786	10715	9793	33660	4809	49743	42307	7141	35751	7666	7304	28001	65439	8622	940	70689	12523	6804	6320	29334	11032	38023	52552	23664	15045	29295	0	12984	77078	Phytochemical	0.21052632	0.84210527	0.0
28	C10 H20 O5 N4 S1	309.1227	309.12283	-0.08874538	309.12268	0	0	0	0	0	0	0	0	0	0	0	0	0	62670	0	0	0	0	0	0	0	0	0	0	0	0	1581	3955	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24600	0	2082	0	0	0	967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	2.0	0.4
6	C23 H16 O1	309.12738	309.12793	0.15819784	309.12744	4863	6055	4985	13620	4866	4084	11084	16352	3817	6442	3788	4055	4334	1618	4566	19026	6735	9676	12232	7527	6646	22254	13340	17466	8672	3167	7946	0	11716	4846	4763	16536	20520	13462	17280	13880	15384	5300	7637	7675	20836	7664	0	0	0	7717	9578	0	5552	5555	13562	5159	3019	0	4762	1964	5452	16888	4766	5991	17480	5128	10422	2808	2851	3736	4021	20044	1614	4321	3871	14300	12626	11076	3749	4896	0	4014	10532	3126	10878	3683	9456	4599	2977	2603	13368	13270	10632	10519	7837	5813	29552	12218	7852	0	4818	11772	2455	2732	2176	6812	12006	8378	0	15522	8818	0	10714	5059	Phytochemical	0.04347826	0.6956522	0.0
0	C11 H20 O8 N2	309.12924	309.1299	0.4035947	309.12936	0	0	2342	0	1987	11181	0	6209	0	0	0	0	4268	0	0	0	1053	6163	2411	0	0	0	0	0	0	0	0	0	10434	0	9880	2262	20097	20133	0	2865	2414	0	0	0	0	4020	0	0	0	0	0	0	1966	0	0	0	4068	0	937	0	0	2074	0	0	0	0	3974	0	0	2821	8848	0	0	0	0	19840	17183	3481	0	3066	0	1551	0	0	0	0	0	0	0	0	0	9501	5169	0	0	0	2806	0	0	0	0	0	0	0	0	0	0	0	0	5382	0	0	0	6734	A-Sugar	0.72727275	1.8181819	0.18181819
6	C7 H21 O4 N6 S1 Na1	309.13153	309.13202	-0.39987788	309.1314	0	1722	2029	1856	1452	0	2327	1562	0	1478	1050	1084	943	811	997	2175	1801	1084	1087	0	1099	2251	1885	0	847	0	1938	0	0	1484	1034	1484	1733	1449	1313	0	1265	1281	2039	0	1476	0	0	0	0	0	0	0	2273	1657	2177	1932	1045	0	1519	1462	1526	2196	2403	1413	0	1387	1400	1225	1510	962	1534	2076	0	0	0	1060	1114	1540	63359	1731	0	1560	2292	0	1812	1647	1910	1389	1464	1069	1663	880	816	2770	0	3301	2413	1405	0	0	1863	2151	1484	1759	2538	1747	1241	0	0	1808	2391	0	1322	0	Organosulfur	0.5714286	3.0	0.85714287
10	C7 H21 O4 N6 S1 Na1	309.13153	309.13193	-0.037629407	309.13153	0	0	3120	2911	1567	4094	7219	2394	1279	2556	0	1459	0	9272	2984	4750	2845	0	0	0	0	0	0	2091	2023	0	4679	0	0	3530	0	2835	4029	897	0	3992	4758	2185	2073	0	3791	1111	3997	0	0	0	0	0	3794	1839	2081	0	1754	0	1646	1607	2528	0	0	0	0	0	2278	1408	5069	0	5974	4718	0	0	0	2735	4264	2475	79584	2829	0	3679	1625	0	965	0	16319	22109	1417	2270	1683	2008	999	4432	0	2870	0	1941	2912	1218	0	0	0	3892	0	2295	0	0	0	4618	3522	0	0	1781	Organosulfur	0.5714286	3.0	0.85714287
6	C16 H20 O6	309.13327	309.13385	0.18847856	309.13333	129471	301656	225160	263908	146476	138186	109116	325360	111677	242694	91598	107877	89281	127800	119654	165260	261440	119470	268682	145622	302700	175203	276964	354002	173306	235586	216962	154580	290936	297542	135791	278928	160514	216262	273868	301656	271830	120927	175935	89171	134364	199758	21352	14560	24130	148824	156445	17220	158714	294476	267510	136777	173802	18456	296924	213718	85725	349612	253638	155800	160163	155888	224944	95997	63499	93029	84387	355448	150765	285560	180198	230832	244630	143611	178448	296102	16667	96772	285732	68012	138896	134496	141290	79391	201374	83435	151854	74312	104508	178531	63688	200304	170661	182286	112624	23900	132761	135056	85959	226282	258582	306270	120457	163943	110891	123975	92913	14895	106604	214416	Phytochemical	0.375	1.25	0.0
14	C16 H20 O6	309.13327	309.13373	0.1624858	309.1333	5229896	5281398	4709780	5284148	4659130	3950614	3642278	4668178	5297624	6825290	2165070	3106920	6332358	2830436	3744604	5288062	4369764	7017866	6470134	4340456	8976914	5589672	4378674	4872232	3581766	4021389	3556142	2255524	4418940	4179494	3745530	2319448	5720876	3929668	8063572	4331598	5130346	3512642	4780862	6294196	2784627	3909538	103121	35411	31617	4179568	1896632	39038	4995260	3768424	4908542	4574218	4377428	34240	3570296	4282074	3013296	5697420	1956729	1778102	2543497	3967888	6008278	5562724	2563934	5423252	4036416	4307152	3228531	5235239	9191120	3880090	3838894	3791176	3879234	4268594	22337	3268014	4939788	1606763	4077526	3156506	4009674	4532350	4674324	1478144	5038148	3717292	4249404	5214482	5205248	4962534	5942654	1706040	5063666	62109	5174980	5198210	3895512	4685638	4533472	5151018	3279678	5223156	1290771	4287030	3822952	32613	3454042	5657886	Phytochemical	0.375	1.25	0.0
10	C16 H20 O6	309.13327	309.13376	0.15421683	309.1333	1991472	878337	1647632	1655826	1395096	1087836	1402388	1022411	779258	1771386	599987	1346714	1745802	391388	1476836	2348614	1737390	1983342	2176252	2447376	2426146	1946642	1669518	2309232	1297678	2457066	1416370	500212	1877328	1771874	1617238	1739000	2107786	1482306	2059456	1695432	1916830	1430602	1036720	1776924	910069	1311264	52083	25757	33427	1667052	1569942	29230	1932054	1698162	1845732	961284	1307400	25889	2290722	1448698	936518	2307824	1542624	1608040	1147465	1076406	1605034	1770462	794458	805472	1180768	1950492	1152038	2782846	2881274	1534670	747700	1504882	1681982	1739926	23892	1184132	2042536	483052	1850920	1277474	1570340	1170588	1711908	1132514	2051176	1134910	1323594	1026986	1425456	1575024	2296646	1218872	873858	42693	1841904	1902518	1243484	1510310	1637680	1882856	1262542	1969868	536017	1634892	1394730	27271	1462522	1855774	Phytochemical	0.375	1.25	0.0
18	C16 H20 O6	309.13327	309.13367	0.15177731	309.1333	1789783	1703724	1654111	1594859	1746568	1600246	1095015	1529410	1638926	2489326	1209478	883293	2844572	1100954	1333782	1426288	1058303	2820294	2774858	2755426	2337170	1690921	1417565	1555498	1092650	1671015	959991	1208653	1554135	1295284	1336974	1485954	2002807	1590285	2419008	1440090	2105164	1108269	1132193	2016609	1300770	1347193	73549	28206	36211	1180601	831926	34144	1678237	1209923	1655777	1692945	1535802	30751	2886425	1547966	1061973	1758248	1254976	804503	1547578	1309401	2296043	1913670	799683	2044184	1462158	1101255	1513042	2404813	2107855	1391724	1211180	1320410	1025121	1412508	25171	1002154	1454445	903543	1209457	834545	1101158	1149080	1528547	1132427	1396301	1254546	1446147	1055889	1788481	2047279	1782884	921721	1637269	51263	1643582	1659686	1319875	1447068	1539840	1798663	936552	1593668	585808	1165868	1221103	31045	1033479	2402719	Phytochemical	0.375	1.25	0.0
8	C16 H20 O6	309.13327	309.13382	0.13766308	309.1333	1527110	1635275	1114963	1570800	1013472	798659	586754	1676649	1279040	1297005	876872	612669	1263927	582288	689764	932978	870775	648739	883086	1904140	871176	896631	787420	1986120	1007378	824058	1217425	829112	1518491	760550	679940	1566412	744132	590973	1650088	737468	732892	631510	955291	656588	1449608	1039340	53492	33252	54530	1640408	784182	39878	843391	1542784	1517783	797536	1045665	37912	943942	1160273	923672	1663994	1315837	721407	927364	931357	1345104	714911	729393	1126879	486862	891757	1604816	1864552	2172908	1295378	689622	1336224	1290282	835248	34634	1173292	995598	795836	821867	661206	756838	968449	1307729	397222	861018	412866	602171	999514	492494	1276256	2015357	1004892	1374048	59921	1511259	1603503	1100599	695553	1359265	805696	621296	1900484	479570	699509	1177862	33002	1314183	1314126	Phytochemical	0.375	1.25	0.0
0	C15 H20 O5 N2	309.1445	309.1451	-0.001242426	309.1445	26283	26045	25527	23808	16756	17390	16580	37743	19626	20283	11126	21116	19709	10641	19012	7821	34945	31919	29324	18737	40200	35460	26438	28617	13055	7948	6120	8947	36508	14368	28340	25847	46177	31916	36879	33462	44097	20235	45194	22975	26309	28627	0	603	810	16487	12610	630	36137	23989	26638	25340	24919	654	26586	11867	11873	37039	19862	23272	14570	12987	20753	23123	20023	21375	30106	44300	8413	12413	12389	27374	42391	25500	4592	36720	763	18141	19397	11635	15776	9125	15543	8997	15866	15204	18481	27152	27520	33022	25430	22904	49542	17994	7059	770	21713	27512	10666	12026	12378	26393	16061	25473	11127	36150	19702	636	18025	34760	Peptide	0.33333334	1.3333334	0.13333334
16	C15 H20 O5 N2	309.1445	309.1449	0.05096433	309.1445	70733	72068	62853	72864	46528	51809	65319	85735	38065	45530	35305	51687	38431	24338	70404	96483	93315	68603	74909	48853	45045	101542	62882	101751	69776	15393	56557	57510	89840	73151	82689	93495	117515	82584	56664	85897	131297	55194	96137	60528	58378	55462	1847	1083	1162	52491	44791	1198	106817	74068	80685	65422	58443	1427	40215	23589	35200	103905	53496	57790	88923	29320	26707	41269	29204	50442	52439	94970	17378	30225	30355	77857	77473	68386	80227	74402	813	50185	59617	62102	43907	36917	60697	35981	24380	32998	77238	66028	70459	119569	110988	108733	152933	43168	64097	1484	80752	73549	26600	19551	21732	107854	56829	63017	25611	102940	33164	1144	74532	65302	Peptide	0.33333334	1.3333334	0.13333334
18	C15 H20 O5 N2	309.1445	309.1449	0.14679378	309.14453	22273	23848	18746	17689	19745	16420	15190	24899	6830	14264	14681	14675	13450	6930	19377	32346	25746	19484	20289	7618	11108	31527	18159	29179	18905	3987	16259	112890	19067	19359	18966	20966	33697	27623	14553	22159	41725	18837	24301	16242	16119	15431	1593	1291	1013	13055	11359	1145	26539	18589	16243	20117	16486	2849	13011	6525	11590	32116	14138	12440	26859	13221	11409	8947	7698	16646	16795	21932	5680	5744	10015	21102	16136	16021	14662	17813	970	13573	18280	25013	12512	11855	12247	11989	6757	7467	23013	19159	15382	24886	69064	71769	44678	11644	16324	1361	19665	20037	8810	6764	9901	32995	17336	20567	7338	32174	8075	1334	22790	21190	Peptide	0.33333334	1.3333334	0.13333334
2	C15 H20 O5 N2	309.1445	309.1451	0.13817967	309.14453	266963	265964	214849	231916	198974	204563	214544	290134	179755	203619	142405	212749	219489	87510	213218	193986	442988	272379	274481	217106	293977	321120	205671	248963	150470	45687	150675	104149	305196	221402	283975	283832	400323	259746	289010	278844	353929	196957	495806	219392	234928	183256	1489	794	964	146315	179778	517	302494	191898	241603	251800	203712	1077	222734	101427	110833	276406	126479	180597	181727	116649	212250	202723	109187	227075	211962	553568	82191	139567	145413	237702	265664	241212	201078	244588	490	184768	259996	127822	211564	92149	127934	83940	143124	133511	252082	234225	242008	427088	183384	255321	423082	162893	153459	1605	258653	270159	130537	144539	152328	306523	189408	262421	109538	293291	167847	627	202015	278934	Peptide	0.33333334	1.3333334	0.13333334
2	C12 H24 O5 N2 S1	309.14786	309.1483	0.039044335	309.1479	980	0	0	1263	0	0	0	0	697	337	0	0	604	0	0	338	0	692	428	0	0	620	0	961	0	0	0	3291	631	573	0	0	0	490	0	450	614	0	0	0	0	0	413	0	548	479	332	457	0	698	0	729	903	283	411	636	453	858	0	369	0	0	0	434	0	765	0	0	0	0	845	0	873	0	0	686	332	0	0	0	0	0	0	0	593	400	802	468	658	0	46909	60093	1423	944	338	838	0	975	700	627	469	816	731	0	424	0	0	0	412	0	Peptide	0.41666666	2.0	0.16666667
22	C20 H20 O3	309.14853	309.14893	0.19918527	309.1486	88190	100790	74172	87642	85171	66842	41099	81046	61002	96727	97014	54398	61467	58478	65236	106749	86341	82950	91519	130798	125666	102022	72489	102860	69313	286584	44581	97375	84215	79361	72623	75580	92272	71780	100880	89287	97491	54442	80159	110871	143303	73367	7381	0	1535	82168	82316	0	79996	71461	91006	90791	81110	3477	59518	57374	54914	108189	60942	66130	102136	74322	70141	54359	43935	84419	101525	80983	212598	228136	301330	75586	73810	70511	57609	85434	1981	63233	94332	74426	70015	61305	56307	88672	64386	59477	91528	74608	79613	117336	84194	80797	149094	76264	84608	3505	84031	94278	63173	88954	79333	103638	63794	90345	58369	95124	63559	0	72408	67498	Phytochemical	0.15	1.0	0.0
18	C20 H20 O3	309.14853	309.14893	0.13787755	309.14856	57122	57015	55003	53452	38962	32954	41721	62957	33363	56019	49158	42342	41967	29047	46843	73031	66402	39063	54794	62169	58321	47406	45901	64461	42954	110646	47203	39452	50654	57310	56630	58917	70499	47950	49028	45868	57081	41503	74159	55865	69885	36490	1653	614	672	38397	49071	833	60919	52828	58929	56966	46102	712	34239	33706	30792	70524	35469	52855	56747	34265	37501	28159	23876	50941	43051	79194	87516	101163	134572	42574	42470	53247	58252	71087	552	33182	72956	41103	57606	48095	43624	43322	48332	35169	72708	39066	49701	99497	57652	55065	87533	35080	52594	1339	58879	50765	40861	39296	43309	62121	43670	60153	29179	56854	30267	526	61098	32901	Phytochemical	0.15	1.0	0.0
16	C20 H20 O3	309.14853	309.14893	0.06806807	309.14853	32883	40408	29992	34198	19119	16094	35293	41255	21237	28891	23245	29133	18715	13594	31936	43268	49346	18615	29202	37364	37409	34947	27564	43890	26238	49864	29428	22878	31810	42404	35307	33016	47968	22825	30519	34171	32500	28427	47438	32780	42356	17722	1439	391	510	22073	39142	595	44341	40256	32008	38871	21485	714	20821	21764	19227	44119	26469	34082	36714	20399	24991	14234	14256	23580	20222	50230	42016	55203	77836	24512	27432	34743	36680	35916	600	25939	52021	23703	34895	26721	29984	29346	28611	18526	38200	23223	24780	68424	33358	26583	48185	24161	24857	1127	31408	38136	19215	28105	30438	43004	23367	32105	15481	37512	26692	551	38535	22553	Phytochemical	0.15	1.0	0.0
20	C20 H20 O3	309.14853	309.14893	0.1914832	309.1486	82162	84424	75472	67641	63661	53081	50242	77748	42506	83911	77430	52263	53745	50791	67175	96231	82123	54311	75355	106547	106383	76883	63692	89182	57510	216364	54118	71035	77634	66043	65558	72958	88582	66788	78183	72105	86254	56116	79275	94750	121742	60830	4148	887	1067	70857	73363	1244	76652	71097	80821	74798	58873	1329	46743	49134	46318	99154	56161	57073	93118	53860	59896	41802	43614	67461	61079	94459	173952	173292	281002	63507	65081	57986	75361	74572	1018	52065	86892	69230	68427	47654	61210	76956	58667	47775	96126	59793	62727	133481	88537	90829	125369	62143	74703	3022	77794	81233	53860	65252	70193	85400	55967	82981	47471	92378	57290	1119	64082	63159	Phytochemical	0.15	1.0	0.0
24	C20 H20 O3	309.14853	309.1489	0.20102125	309.1486	65744	70606	59617	60271	73593	55918	29062	61085	47916	67078	95216	37414	73919	43687	44634	72070	46974	63912	82214	97619	104241	68649	57955	81467	53927	191007	27441	96186	61774	63596	48261	62544	63043	56088	88057	64704	69901	37164	53260	87531	101880	64231	18538	3625	8721	64553	56468	4067	63897	59420	64442	59557	60171	11366	46503	53985	50383	66499	44481	43801	69221	58158	50795	38791	37521	93335	104371	51817	152963	133426	164902	58575	46692	65587	37444	54873	0	41063	57725	66081	48429	51515	44665	75783	54385	41567	60485	57969	65634	68593	63887	64243	98844	69388	64922	12133	65398	63674	49864	60539	64685	73790	34755	79165	48771	71978	54004	3438	45668	55155	Phytochemical	0.15	1.0	0.0
26	C17 H24 O3 S1	309.1519	309.15228	0.24197435	309.15198	3393	3488	5090	3487	3106	3516	0	0	3140	12081	19189	0	5312	0	0	0	0	0	0	23718	20470	14807	0	0	0	8178	1556	21177	0	0	0	0	0	0	20115	0	0	0	0	12749	10876	0	0	0	0	8496	7721	0	0	0	5904	2589	3658	0	0	0	0	3003	9686	5891	0	8774	2245	0	0	4421	4217	1995	0	6308	8133	0	0	0	0	0	0	0	0	14070	0	7913	8546	10197	0	0	2056	0	0	0	29307	39359	0	15255	20508	0	7757	5250	3267	2878	0	0	0	8091	9439	2191	4769	0	0	2451	Organosulfur	0.1764706	1.4117647	0.0
10	C13 H24 O8	309.1544	309.15475	-0.14371258	309.15436	10065	5900	4969	5946	8268	6317	7101	5715	6098	4934	6007	5919	1355	11718	2884	5183	3457	4883	1966	0	3466	0	5864	10038	5133	3345	9637	0	6476	4758	7642	11459	11315	9519	6886	6406	11363	6294	8099	7912	8048	3278	16237	18969	7044	0	6706	15533	9587	5877	8549	6652	4423	6133	4249	2635	10845	11830	9244	5092	0	6370	6838	6695	7791	10438	6782	9137	0	0	0	9119	6953	5023	9618	6355	6435	4500	6859	6997	4792	6709	7816	5297	3489	4704	10024	8620	8979	7047	0	4431	11799	5659	0	14914	4122	2980	6864	6597	4027	6319	8888	0	124198	11009	2817	17622	10678	4877	Unclassified	0.61538464	1.8461539	0.0
8	C14 H20 O4 N4	309.15573	309.15613	-0.114151105	309.1557	4021	5925	0	3869	1358	1004	2966	4133	1516	0	2541	2853	1215	0	4201	6093	5284	1552	3098	0	2013	4875	5435	7688	5418	649	4100	3468	5484	4175	3099	6593	4399	4526	4639	4346	4204	4262	6975	3067	3137	1848	0	0	0	3544	0	0	5594	5188	3796	4344	1912	335	2055	1009	1336	6611	0	3616	6195	1542	871	779	0	1500	2368	7381	0	0	0	5242	4521	4049	3092	4477	0	2940	5875	9966	5483	2331	3203	2483	0	0	5736	3022	2679	12882	0	0	12536	0	0	0	4580	3704	1468	0	0	4301	2582	4578	35315	6160	0	0	6157	1874	Peptide	0.2857143	1.4285715	0.2857143
18	C14 H25 O2 N2 S1 Na1	309.1607	309.16116	0.1830702	309.16077	22560	20648	25666	27520	16784	18408	20652	22136	11240	37538	24284	16236	30432	12870	13942	23642	22934	33152	32252	44044	51362	21030	15890	22794	18192	45738	19414	23502	27064	18422	13634	16298	28578	15862	31914	26078	28808	10760	20504	31228	22968	19126	644	0	0	23776	11170	0	33040	19798	24706	25360	24584	0	29802	25660	14462	28200	15286	13332	29124	24746	19042	20942	12244	21554	16774	23068	31848	52710	49774	18496	15206	17670	20736	13532	0	17124	23142	15960	15572	13334	15130	11968	21682	18054	23982	20336	20996	20956	21802	27814	15734	18702	37796	0	31200	27420	18322	21100	16572	25698	7962	21774	5364	14498	11596	0	16466	24910	Peptide	0.14285715	1.7857143	0.14285715
20	C14 H25 O2 N2 S1 Na1	309.1607	309.16116	0.118617356	309.16077	13204	12392	18450	16046	13518	18520	6542	8514	10326	28218	12854	11886	16014	7474	17968	16144	7973	22296	22484	36358	33364	12866	20210	12654	10106	11656	7282	14136	17086	13108	20604	9130	22200	19668	31136	7380	20202	7312	17078	18600	13640	16120	0	0	0	5276	5056	0	15224	11714	16348	17942	12286	0	26844	15852	8504	13922	9430	8654	12862	11300	13048	14302	0	14644	9844	13072	14406	12150	19246	8226	12762	9706	14502	15468	0	9932	5748	3582	9840	5702	10240	0	12102	9588	18234	10064	11554	12764	14878	20156	9454	9854	13230	0	14596	11348	7968	11408	16602	24368	7206	15918	4542	7010	10966	0	6638	19970	Peptide	0.14285715	1.7857143	0.14285715
16	C14 H25 O2 N2 S1 Na1	309.1607	309.16116	0.07924806	309.16074	5693	6512	7189	5678	5098	7332	5449	5141	4156	8056	6240	3283	7376	5832	7345	6643	6165	6813	9415	16300	12837	6624	6345	9709	5357	14189	5781	5359	7037	4934	5355	6981	9249	4799	6385	6253	7528	5967	9038	8986	7027	7174	0	0	0	4208	5147	0	7020	5339	6957	6266	4474	0	6146	6438	4622	5627	6794	6217	0	3581	6529	7236	3010	6490	6408	6954	10688	16252	22219	3318	5463	4838	6092	4218	0	6297	5388	4108	5221	4314	8350	5831	4164	6798	6574	4874	3755	0	4670	6298	0	6007	6099	0	9209	8016	4214	6087	5126	7549	4879	11118	0	0	4029	0	4966	4943	Peptide	0.14285715	1.7857143	0.14285715
24	C22 H21 Na1	309.16138	309.16174	0.6381367	309.16156	0	1379	0	2001	1704	0	0	1991	0	0	0	0	1690	0	0	5055	0	0	0	0	0	0	0	1970	0	0	1095	0	2521	0	1574	1576	0	9768	0	2132	2454	0	0	0	0	124738	0	0	0	0	0	0	3295	1382	0	0	0	0	0	0	0	1570	0	0	1812	0	0	0	0	1587	1281	0	0	0	0	5961	6153	1857	1215	1521	0	1508	0	0	0	0	0	0	0	0	0	11696	1570	0	1466	1349	0	0	0	0	0	0	0	0	0	0	741	0	0	0	0	0	0	0	Phytochemical	0.0	0.95454544	0.0
26	C22 H21 Na1	309.16138	309.1615	0.72398174	309.1616	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3697	0	0	0	0	0	0	0	33239	0	0	0	0	0	0	2008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4959	0	0	2241	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0	0.95454544	0.0
22	C17 H24 O5	309.16965	309.17	0.11107696	309.16968	928783	922784	786233	924716	934519	979110	966204	826155	939032	1277660	598285	511168	982367	782117	817334	860866	595000	1494598	1162422	1482019	1267164	996200	686682	772966	816670	620414	916866	677806	1122852	808294	801361	987553	1243078	868235	1253235	1004922	1406571	680255	629392	743251	499282	751949	113143	91205	81565	620052	458795	83446	1022259	668135	884992	862590	878331	87625	1345828	819871	651790	1079670	809293	443382	925629	545869	997783	958029	479554	1055900	956947	588942	440328	843594	660949	723075	746610	793097	568328	858926	77501	613870	674130	487891	525440	495729	828553	698516	735443	663026	783975	641198	870545	867292	1427482	1466338	1118979	577469	943592	95893	831765	891431	686252	749152	756858	1208468	575901	984048	579861	821669	720501	88958	635792	1190281	Lipid	0.29411766	1.4117647	0.0
24	C17 H24 O5	309.16965	309.17	0.14089558	309.1697	252186	235521	223268	233687	276497	253709	411632	230175	254847	248085	125095	148224	393935	245969	222885	240871	163911	422519	423235	259498	229389	200418	212815	226305	201389	217975	310793	158413	275323	216549	211004	276153	335838	243128	274910	276092	428518	168424	178892	184540	127960	197514	53146	39942	60857	156730	116979	43097	273862	195937	237470	237890	232718	55032	387573	237175	158710	296560	205840	108239	258546	133561	321332	261258	130985	341248	260394	158992	113663	197679	165518	215705	218572	233553	156833	227652	54618	186014	205156	116880	169115	121742	238072	235490	238196	191246	217990	161639	236315	178405	347578	335794	311909	124720	195705	43197	242395	254208	170212	212948	221659	327769	155382	238622	140529	227863	178226	41548	177733	345635	Lipid	0.29411766	1.4117647	0.0
6	C17 H24 O5	309.16965	309.17017	0.03685544	309.16965	35386	31236	20904	17854	16832	23178	32914	34420	23674	22226	22118	26448	20750	23092	35068	28048	31256	26608	29504	25706	31024	39086	16843	36544	30258	22000	28996	12185	40368	17197	18924	28594	37282	24796	15756	37758	29934	30980	38402	24678	26776	30714	6874	5712	6638	32538	17324	5658	31194	29706	25714	30240	19270	5538	29216	13944	26948	38594	12472	14621	37614	9464	20786	9067	7253	19504	19934	40304	14635	20468	14367	30786	27258	18728	20476	37504	5659	24342	31222	10638	32804	17777	37154	19510	12656	8590	31772	15332	24970	32806	19566	22288	37052	21144	23686	6667	16325	28852	20992	13262	33244	42834	35104	34952	13449	13209	19246	4795	34418	20922	Lipid	0.29411766	1.4117647	0.0
16	C16 H24 O4 N2	309.18088	309.18127	0.021623664	309.18088	29704	30042	34981	32492	13316	15133	25721	35117	8951	27062	12662	23511	5676	9747	21393	52073	36893	19132	21136	33952	31121	42697	25337	46118	27395	12406	25010	13684	32438	28990	31648	40421	45678	29636	38048	33838	44372	21319	45295	35752	28064	19320	368	0	0	26015	18255	0	37090	31276	27856	24736	15644	0	11613	4737	11154	46368	19956	27507	33202	14180	7699	6654	7047	12963	15826	46725	9040	26037	16507	33330	36030	28321	40735	32277	0	21854	21236	27768	18899	21898	23730	21320	6083	10484	34989	22415	20401	60391	54093	49427	51361	20456	31682	0	26642	26163	6506	3828	4547	43263	20526	31521	16366	40481	10048	0	29745	11879	Lipid	0.25	1.5	0.125
10	C16 H24 O4 N2	309.18088	309.18134	0.056621812	309.1809	39924	41560	32985	32886	17250	15764	21105	43502	11942	36159	15983	22596	11328	11648	24626	45260	33196	21527	25644	52858	52034	50366	22113	44727	25113	28783	27731	19171	38783	33646	33022	40623	46671	43411	44480	33806	50453	23511	40998	45618	43378	19475	656	0	0	33727	35402	0	46709	39112	38882	37212	15546	0	16414	7364	8504	43694	13179	25024	38552	23534	13353	13060	8766	14365	15970	38454	23180	55289	32135	42363	37471	35414	31426	32031	0	23353	29379	23142	22070	14906	18255	25255	7480	9359	28714	21281	20964	61902	113151	70231	66875	26187	48736	0	30976	36260	9623	7448	7965	41483	22720	48630	14299	38981	10347	0	25119	16044	Lipid	0.25	1.5	0.125
18	C16 H24 O4 N2	309.18088	309.18124	0.008898392	309.18088	18020	19398	18729	14071	9126	6989	17242	22739	6915	13320	7850	15850	4679	6391	21422	38084	20838	16559	16393	18319	11114	24348	14119	32893	19378	4557	16148	13056	26526	24897	20776	26408	29406	20523	10614	23962	37988	20837	23583	11850	11168	9762	0	0	0	12037	12342	0	29583	27116	20719	24660	11724	0	7561	5331	8405	33110	16465	13747	28236	7770	5462	3191	6788	11606	17813	26568	5337	12288	12937	20575	17025	21655	20986	19205	0	18576	22856	15880	11867	11056	15426	7081	4331	5079	25153	13225	12334	28086	28136	36685	42279	10386	10515	0	19114	19151	3310	4193	2855	31910	17618	27953	7569	31375	6171	0	19716	9369	Lipid	0.25	1.5	0.125
12	C16 H24 O4 N2	309.18088	309.1813	0.023036808	309.18088	31024	31435	30397	30405	15644	10695	25879	40182	11192	26843	10639	18295	9563	6682	22431	45974	42234	16525	21345	44964	38141	50940	24409	49727	26994	17869	23335	14902	31656	31099	29332	41636	52163	31815	40419	32746	41328	18770	46859	34939	40409	17419	0	0	0	37000	42511	0	41343	35300	35982	34393	14333	0	11269	6161	12055	46229	13241	30180	33138	19881	11352	11019	7414	15546	16960	34805	0	33940	34538	38185	31515	35775	32776	36148	0	24590	26732	25352	21017	21478	18775	20515	7894	9475	31471	19747	17747	57302	77203	60345	80998	19013	40806	0	34628	31747	7330	5420	8536	50203	18710	37706	0	44206	9852	0	28418	13031	Lipid	0.25	1.5	0.125
8	C13 H28 O4 N2 S1	309.18427	309.1845	0.23224121	309.18433	0	1094	1172	0	0	2758	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6987	0	0	0	0	0	0	0	0	0	0	24638	0	0	4246	1295	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	2.1538463	0.15384616
24	C21 H24 O2	309.1849	309.1853	0.18417802	309.18497	73507	81934	70503	69956	70764	45995	51363	91432	50609	56085	80359	57288	45570	46125	70235	116158	123378	56574	89861	79467	79359	70811	59257	108075	66498	197345	47907	79397	89160	100146	78264	101953	93875	84056	68082	112107	88088	55645	110207	75602	90492	66126	0	0	0	61981	66906	0	93870	91458	80148	80120	63856	0	49485	41466	43723	91819	52181	58981	98432	51931	42714	43551	37438	62131	72279	116297	132801	114812	178205	76905	74566	82396	88036	91435	0	62314	68044	77336	60290	60615	61097	66399	56923	46014	103395	69143	77306	109487	73797	72960	110091	70060	79235	0	69504	80073	47538	53155	52951	117788	55719	97637	43843	84850	55826	0	77463	45659	Phytochemical	0.0952381	1.1428572	0.0
22	C21 H24 O2	309.1849	309.1853	0.110027835	309.18494	67953	74272	54244	67387	61825	39620	55625	82177	48009	46348	61289	53580	33755	39043	62229	96202	114683	45630	64813	62403	65690	55490	55214	76339	58996	114166	55731	46809	76030	84547	60332	81641	85331	68032	45390	79606	72771	53023	122064	53988	74520	50802	0	0	439	39604	65485	0	76754	74138	60792	70046	50842	526	40090	39901	48650	87199	43999	62681	90751	45447	36044	33745	36952	47132	54159	129173	93625	87437	133957	51392	52208	65768	83265	81376	0	49466	77178	52175	60498	42341	50522	46964	53900	48050	81554	58439	61467	120546	63808	62975	85768	46644	60159	0	57112	67985	37938	56936	59000	100929	58244	71492	38636	74492	45375	0	68505	37357	Phytochemical	0.0952381	1.1428572	0.0
18	C21 H24 O2	309.1849	309.1853	0.06294324	309.18494	21519	22405	21618	16586	12807	8450	27381	23994	14631	13117	13560	21884	8963	11990	21082	34146	45184	10098	22195	12872	17953	15889	18938	22126	15139	23658	25839	11134	19494	26285	21957	25345	25157	17477	16149	24920	25917	23060	49084	11251	22063	13674	729	0	0	8232	16247	0	27469	26679	19401	23266	11463	0	16138	16046	13050	32197	12399	27758	21658	11314	10794	8411	12116	12379	10167	58041	18814	17523	32823	13034	15779	19882	41234	24879	0	16333	32196	17581	26815	12939	18664	12621	17711	14955	34612	14392	17037	58240	23566	20269	27250	12842	10629	0	21389	17490	18705	22706	19665	28253	22141	25668	7991	23136	15750	0	26325	9326	Phytochemical	0.0952381	1.1428572	0.0
20	C21 H24 O2	309.1849	309.18527	0.0716891	309.18494	38430	51709	39577	41186	30435	17446	39948	51231	26217	23350	28955	40895	20279	23871	41546	61634	82819	26567	43706	32580	36863	37440	31366	50860	31720	64757	42881	25210	41392	45330	34922	43460	55620	36462	33991	46807	43537	41182	88529	29925	47024	33133	1176	0	0	25923	34436	0	46324	44654	41277	45593	30504	265	28228	25267	24294	58661	30392	41310	40833	19725	24048	19770	24033	29286	34102	85291	52733	47396	80389	33116	39232	45984	78254	50504	0	26583	55462	35753	45282	19795	35015	29957	42998	31816	64665	28895	30083	90756	45428	42414	63514	25764	29528	633	33773	40079	32357	42641	43154	55198	37406	47515	16879	43964	32115	699	49098	29203	Phytochemical	0.0952381	1.1428572	0.0
16	C21 H24 O2	309.1849	309.1853	0.008639986	309.1849	9616	12671	11099	5880	5047	3625	12693	9014	7460	3766	3495	8587	2225	4608	11221	13520	22451	0	6096	3783	4229	6724	6613	9357	10005	11340	11693	4094	8102	9952	12426	10976	8844	6634	2973	8789	9589	10325	24670	5891	8285	4732	0	0	0	4739	5772	0	13205	12720	7449	13463	3862	0	3071	5048	6159	8577	5083	11689	9729	3415	3349	3306	3544	4804	6412	25764	8764	7937	11828	3817	6363	8807	16826	10612	0	7079	10964	4823	11976	6645	9499	5458	8472	4163	13732	3272	5929	25115	6263	5231	0	5912	2436	0	10161	5306	4563	10235	10577	9865	7131	6483	3731	15477	6948	0	11958	5139	Phytochemical	0.0952381	1.1428572	0.0
26	C18 H28 O2 S1	309.18826	309.18884	0.17155007	309.18832	2160	0	0	0	0	0	0	0	0	1570	2364	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4044	0	0	0	0	0	0	1659	0	0	0	0	0	2491	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1601	0	0	0	0	1987	0	0	0	0	0	0	0	0	9416	0	3262	2374	0	0	0	0	0	0	0	36937	32921	0	4661	5430	0	2543	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.11111111	1.5555556	0.0
14	C14 H28 O7	309.19077	309.19122	0.11677662	309.19083	0	3333	0	3128	2067	0	6325	0	0	2662	6610	0	2406	4676	0	0	0	0	0	0	0	0	0	0	0	0	1348	16640	0	0	0	0	0	0	0	0	0	0	1634	0	0	1129	5239	651	364	0	5209	845	0	0	3416	3269	0	2314	0	0	1382	0	10802	18495	30936	4186	3259	0	17786	15233	15526	2062	22101	0	0	0	0	0	0	0	482	0	0	0	0	1300	0	0	0	9380	0	1841	0	6589	0	0	0	0	1514	0	3925	0	1197	0	1276	0	0	0	142211	0	0	617	0	0	Lipid	0.5	2.0	0.0
12	C14 H28 O7	309.19077	309.19122	0.2974074	309.19086	10105	11286	11157	8716	0	0	6802	0	0	0	21960	0	0	997	1184	2836	3603	0	0	0	0	12324	0	0	0	0	2736	28440	0	0	0	0	0	0	1741	0	0	0	0	0	7938	0	1707	1532	1055	3118	11244	1240	1361	5848	7353	11524	0	1852	0	0	1037	0	24179	9965	259168	5554	1114	0	0	0	0	0	77779	2751	0	1435	0	0	0	0	1125	0	0	39664	0	0	0	0	0	0	0	1022	0	6415	0	2780	0	7094	5309	1152	14280	5612	3040	0	0	3056	0	0	179547	0	0	1463	0	1248	Lipid	0.5	2.0	0.0
10	C14 H28 O7	309.19077	309.1916	0.22378168	309.19086	0	0	0	0	0	0	0	0	0	2116	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	872	626	519	0	0	0	0	0	0	0	0	544	0	0	0	0	2112	0	0	0	0	0	0	0	0	1416	0	0	0	0	0	0	0	0	965	0	0	5301	0	0	0	0	0	0	0	0	0	0	0	0	0	1110	0	0	0	0	0	0	0	0	0	0	29213	0	0	0	0	0	Lipid	0.5	2.0	0.0
16	C14 H28 O7	309.19077	309.19116	0.016969291	309.1908	0	0	0	0	0	0	1344	0	0	0	0	0	0	3202	0	0	0	0	0	0	0	0	0	0	0	0	1003	3880	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2653	1239	824	0	0	1254	0	0	2361	0	0	2272	0	0	1275	0	8749	0	9273	1363	0	1427	9533	6106	14778	0	0	0	0	0	0	0	0	0	889	0	0	9874	0	0	0	0	0	2565	0	0	0	0	0	0	0	1245	0	1461	0	0	1559	0	0	0	0	3068	21871	0	0	925	0	0	Lipid	0.5	2.0	0.0
8	C14 H28 O7	309.19077	309.1914	0.1611388	309.19083	2293	2764	0	1825	0	0	0	2998	0	0	0	0	0	0	0	0	0	0	0	2176	0	0	0	0	0	0	0	10460	0	0	0	2507	0	0	0	0	0	0	0	4758	830	0	1913	0	0	6554	6195	0	0	959	2539	2813	0	0	0	0	0	0	3584	1906	19681	6118	1526	0	0	0	0	0	23323	0	10397	2222	0	0	0	0	0	0	803	17836	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3780	0	2044	966	3116	0	0	0	0	4080	50033	0	0	0	0	0	Lipid	0.5	2.0	0.0
18	C18 H28 O4	309.20602	309.20642	0.075317144	309.20605	139845	139570	134129	116727	76873	87905	419151	185043	41008	58112	60295	92700	58490	141081	83886	235009	279175	75363	102944	71517	48395	74789	77407	107415	90381	138128	429656	90569	177833	197606	141851	189397	147583	154425	37300	192428	124159	86537	276165	56906	67523	119002	13258	2514	3115	85990	61188	3754	252201	158202	148296	141595	69717	13860	62040	75130	84949	213777	34211	78531	186088	25206	88626	41134	144716	96072	135280	280046	37826	74187	75445	135633	128201	199494	269410	180662	3022	68405	133026	181455	84651	66034	449362	430875	107131	154942	178617	106423	102017	316105	370971	386863	132186	45399	83723	7350	148291	142947	73836	127808	258575	176133	73131	103531	37053	133765	107860	2698	112924	59122	Lipid	0.22222222	1.5555556	0.0
12	C18 H28 O4	309.20602	309.20645	0.064482085	309.20605	8371	8572	8654	7556	4302	2206	11114	6506	2682	1875	0	2767	2902	3894	1735	18678	13061	3075	2937	3047	0	7297	4225	7688	5504	1664	20038	0	4868	8757	6453	11001	3613	4143	0	9251	5133	4367	12549	0	0	4528	1658	1387	1671	2814	6875	1619	8545	8421	9041	8641	2552	1583	3717	3599	3480	10677	0	0	0	1669	2128	0	4246	0	4675	10226	0	0	0	3961	3978	11321	15324	8506	1073	4265	7837	0	5944	4332	7936	3899	3646	4105	9246	2308	3036	26785	15438	10493	16322	2991	8031	1390	7660	7775	2681	5520	7828	12587	2810	5972	0	5101	3586	1253	6061	0	Lipid	0.22222222	1.5555556	0.0
16	C18 H28 O4	309.20602	309.20645	0.0685881	309.20605	41748	47123	46754	48402	18178	26042	115569	60734	15378	19131	20608	30378	13341	35802	33573	85423	111338	21452	26914	22895	14057	24415	33294	40477	39794	27957	103888	18830	49155	58161	43611	65077	47061	37454	15939	61462	41249	33260	119665	16783	19431	43343	3690	2228	2119	37780	22782	2378	77351	66680	46466	42464	25420	3849	15592	29546	27291	81643	12325	29268	70932	7078	21875	18320	39361	25299	34270	116464	11083	25229	22888	40841	41856	60297	99152	44317	2308	24835	55200	46746	26795	20956	114646	100329	40298	43937	74791	31780	25601	151779	79221	72092	50192	21287	23305	2570	41898	52856	23610	52183	91527	54948	23942	40121	10472	48741	38312	2311	52006	14357	Lipid	0.22222222	1.5555556	0.0
14	C18 H28 O4	309.20602	309.20645	0.09473586	309.20605	20037	17435	16173	19322	6426	9983	32196	15019	6324	4469	3674	12900	5152	9595	14095	22715	35195	6189	8389	5939	4598	12376	8871	12099	15398	10802	35354	0	14114	18553	15705	22547	17720	10815	4672	21932	14531	9906	41038	5006	3313	12240	0	1470	1464	3736	5822	1958	24322	16431	18407	15116	6509	1516	6384	10927	9839	27929	0	9341	0	0	7181	4938	10456	8542	12697	42083	0	3459	7459	11113	14949	20873	31301	17285	1328	9314	14670	14637	11292	8439	29061	25859	15005	14333	32265	8632	12875	60147	27550	32450	25765	7467	7301	1464	13947	16325	8468	17915	26176	18313	7911	13256	0	20949	8465	1418	23475	2432	Lipid	0.22222222	1.5555556	0.0
6	C17 H28 O3 N2	309.21725	309.21777	0.10223092	309.21732	5238	4988	4168	5083	1908	702	2760	6066	885	5866	1674	2459	0	689	3154	9122	5227	1974	1895	8009	5489	3657	2842	12952	8061	2743	3442	2100	6650	5988	5687	8475	6406	6697	7624	7155	5944	4120	5409	4200	0	1311	0	0	0	3866	2585	0	7505	4914	4996	6373	1691	0	1072	467	815	11077	0	0	8507	1678	0	0	427	930	2205	9274	2679	5752	4694	5108	7289	5549	5883	5369	0	2635	2855	3045	2398	393	0	2783	0	960	7963	1128	2695	20699	13606	2098	13725	3508	6088	0	5168	4824	659	499	0	4827	2419	3414	0	7217	714	0	5256	1073	Lipid	0.1764706	1.6470588	0.11764706
8	C17 H28 O3 N2	309.21725	309.21777	0.07928622	309.2173	6155	4364	5413	4850	1701	1491	2894	4616	0	4951	2656	2835	0	0	4863	18473	2447	1624	2579	5292	7177	5531	3592	11963	5974	2729	2733	0	7064	4141	6721	5350	6182	4391	6165	4450	6402	3390	4321	3036	862	1163	0	0	0	5182	2830	0	8252	4572	5403	4875	1384	0	2690	0	926	11235	0	0	19700	1597	1443	2682	0	1615	1566	7475	0	6671	4937	3459	5344	2652	3532	5292	0	3460	4139	0	2591	0	0	1167	0	0	9781	2055	2140	24260	0	0	16951	1601	4747	0	4072	5754	1045	0	0	5139	1853	3515	0	8894	0	0	5058	1438	Lipid	0.1764706	1.6470588	0.11764706
16	C17 H28 O3 N2	309.21725	309.21753	0.16379125	309.21732	0	0	1588	0	0	0	0	0	0	0	0	0	0	0	0	0	2445	0	0	0	0	0	0	0	1871	0	0	0	0	0	0	0	2031	2549	0	0	0	0	1991	0	0	0	0	0	0	0	0	0	1917	0	1522	3154	0	0	0	0	0	1979	0	0	0	0	0	0	0	0	0	3240	0	0	0	0	1231	1463	1959	2027	0	0	0	0	0	0	0	0	0	0	2923	0	0	27774	0	0	0	0	0	0	1613	0	0	0	0	2637	0	0	0	0	0	0	2255	0	Lipid	0.1764706	1.6470588	0.11764706
22	C22 H28 O1	309.22128	309.22165	0.079845436	309.2213	5040	8347	5421	3908	4011	1354	5802	5670	2889	3856	4144	3712	3985	5127	6517	10028	21723	3619	4982	2952	3918	2942	4189	3965	7686	6532	8828	3559	6416	7145	4552	0	5551	3425	2814	5423	4464	8242	22914	3032	6095	2985	0	0	0	1488	4695	0	7002	4979	6860	6156	3369	0	2545	5501	6328	8777	3059	5799	4162	0	0	2109	3428	4876	4602	24930	2979	4509	9523	1685	0	4751	15132	6344	0	3235	9516	2322	6943	1683	3963	2345	10133	4256	13593	5176	4828	20849	5909	4323	7787	3200	4272	0	6121	4627	4488	10497	6210	7389	3673	3830	2144	4422	4788	0	9572	0	Phytochemical	0.045454547	1.2727273	0.0
24	C22 H28 O1	309.22128	309.22165	0.077761896	309.2213	11943	14501	8380	9723	8815	4655	13779	12499	9394	7017	11637	11459	3649	7527	10694	20627	35000	6558	13599	6673	7352	5811	7947	10667	11910	22846	13981	11213	10787	18951	9088	17193	12370	8732	4755	16883	12302	11999	37704	6007	12712	5988	0	0	0	2606	11626	0	13772	12287	11727	12447	9220	0	6347	10655	10094	17893	5398	9880	16828	3827	5548	6634	8432	9150	12064	41020	14748	9188	25091	4519	10662	14605	25508	18320	0	7768	17834	11795	12202	11045	8084	7703	14341	11210	26986	9446	10150	44686	11185	8986	10640	5323	6408	0	12921	14254	10467	10131	15204	19995	8625	11222	3288	11434	10713	0	19271	6252	Phytochemical	0.045454547	1.2727273	0.0
26	C22 H28 O1	309.22128	309.2217	0.15768656	309.22134	11892	11402	11753	10913	12275	7103	12698	17273	9800	4237	12597	11939	7197	9412	14584	21270	26715	8362	20794	13509	9849	9399	0	14458	16682	32923	14757	14665	19801	19041	13892	40273	16097	10307	8587	25589	14500	15910	32537	6710	15665	11168	0	0	0	7395	8566	0	14416	16891	15426	14923	12528	0	6598	11448	7625	27058	6634	8174	21399	7209	6883	7396	7669	9216	12610	32931	21601	15577	25169	6676	11081	19101	17739	18931	0	12919	19432	17916	10579	11433	11059	8707	16322	15750	30666	10285	12704	33823	12730	11839	12711	12044	8911	0	13324	12913	9996	15944	16752	22209	9245	14746	9419	11818	11888	0	19070	4790	Phytochemical	0.045454547	1.2727273	0.0
26	C19 H32 O3	309.24243	309.2428	0.10044897	309.24246	815468	678598	796781	705553	798325	1099377	779699	357234	51762	84173	204501	35523	274716	1343069	91238	197361	81315	504605	730371	255995	43710	55516	31581	116529	53572	107160	758864	776375	183141	173980	127575	194432	107116	118783	59351	164274	52486	117713	93651	239492	78347	1557170	33269	16091	29515	334861	70753	31518	353918	180966	775461	749517	476648	65752	158774	1563084	4298068	267773	73964	100814	243089	66058	152663	53668	5311213	557305	1197286	127952	83865	282635	59127	234536	59076	108294	88816	129837	30423	53012	46144	543733	37347	354677	155568	157300	3575417	9189817	113511	2680467	873043	112093	2204472	3590456	64662	97915	186426	25803	775892	822328	818704	3554985	10944421	67332	39667	213998	231564	42322	6667156	16867	94869	188538	Lipid	0.15789473	1.6842105	0.0
22	C19 H32 O3	309.24243	309.2428	0.11502141	309.24246	37379	36879	34416	39840	9554	22818	281549	24414	1437	5602	18207	4559	4500	103636	6181	25719	30066	4153	8766	13703	4419	5211	4706	7932	8372	42502	292799	67736	16803	19271	10339	14521	12119	11964	3713	17529	6364	11007	31769	22304	15077	24797	4033	0	847	30858	10662	0	33011	31940	39051	27430	5950	15872	5150	35505	108161	23434	2171	20607	32569	3772	39017	0	291591	15692	31348	33121	7906	28822	13045	13921	6559	11794	24545	20472	1004	4432	6655	309901	6135	24205	87109	122341	66958	365229	19977	30255	12982	39602	275315	285501	11316	46265	22183	0	37694	42157	41030	114942	390751	9218	4958	24878	8284	8189	146974	0	8132	18443	Lipid	0.15789473	1.6842105	0.0
24	C19 H32 O3	309.24243	309.24277	0.1014648	309.24246	1068944	1016980	971100	998571	917761	1549779	911372	665173	28270	89695	136712	26825	317918	2172934	52083	290218	86074	608145	932487	482224	22651	39819	19570	190635	30094	105702	980858	561926	249787	260849	157792	285138	60052	196569	35760	231674	44975	46060	123734	396779	59053	2388717	27373	6937	12073	520431	65273	26643	525382	287395	894409	976785	560349	102700	195107	2409998	6647033	368649	27244	84719	396692	41366	184400	68335	10993350	673348	1621246	127390	35574	502441	56789	414613	56673	127206	78742	147953	9811	44004	36307	711537	21655	185637	205654	220794	4644770	12062590	67255	2441704	1344620	121942	2580159	3761462	59907	107917	287123	20545	1045920	1198910	1567867	4409091	17302008	44252	35997	346773	67493	38676	9858384	18836	46491	161469	Lipid	0.15789473	1.6842105	0.0
20	C19 H32 O3	309.24243	309.24274	0.2631765	309.2425	2309	0	2364	2901	0	0	20049	0	0	0	0	0	0	5997	0	4003	5000	0	0	0	0	0	0	0	1348	4366	18748	2911	0	1878	2147	2271	1476	1232	0	1569	0	1258	7495	0	0	0	0	0	0	1977	0	0	3042	3011	3023	3023	0	1325	0	0	1433	2111	0	0	2286	0	0	0	3792	0	0	3448	0	0	0	0	1755	3117	5257	1794	0	0	1540	19921	0	1551	15017	15241	0	0	3110	0	1176	5919	47598	28651	0	2414	2265	494	3085	4463	0	0	0	1876	1206	0	0	2170	0	0	0	0	Lipid	0.15789473	1.6842105	0.0
28	C19 H32 O3	309.24243	309.2428	0.07037411	309.24243	57329	48598	44077	48145	46963	37494	90708	36531	39730	24006	44201	17447	28709	74376	38109	29830	31736	28070	38071	29375	22739	15905	26400	30587	28646	32281	67542	125026	40438	42537	20429	30382	26089	22345	20632	40905	15454	38027	25301	23923	21427	120335	18299	15415	33309	41850	26491	14263	32056	39007	51825	42140	33922	36543	33523	61575	456487	29923	77857	25076	33311	44222	21066	22354	411051	42151	89426	25326	44405	25240	16502	22083	21246	38976	28416	25717	36532	39356	23669	111681	17102	76777	29848	29314	302348	608604	42615	115849	54644	23892	195403	158032	23584	53753	33432	17611	57151	64952	68602	55566	331544	29088	21281	41200	74477	20863	582064	15204	27249	24703	Lipid	0.15789473	1.6842105	0.0
26	C20 H36 O2	309.2788	309.27917	0.17962033	309.27887	25322	25796	30131	23005	5232	11313	587273	7695	4004	5268	60552	7760	0	259832	12523	7025	10339	0	5548	8879	5020	6206	7281	5366	8780	88472	608421	106754	7228	0	4379	6192	2517	4925	3584	7291	5344	20402	19680	6710	33789	17123	8575	0	0	11704	22136	0	5339	6781	26796	21793	7028	0	0	36862	29625	8388	9822	43058	56794	15309	47327	2987	319203	3606	24370	16751	56805	19654	21976	3981	3674	0	6300	6116	0	5412	9758	57610	7994	42669	72594	104144	0	0	32647	8582	9546	18008	30368	18340	8486	19167	18070	0	25162	35371	50666	2451	0	5313	7365	47207	21767	4658	0	0	14344	11868	Lipid	0.1	1.8	0.0
24	C20 H36 O2	309.2788	309.27908	0.13826951	309.27884	3906	3865	2523	3451	1000	1976	132704	0	0	0	2834	0	0	55219	0	1642	1370	0	0	0	0	0	0	0	0	12144	122235	6977	0	0	0	0	0	0	0	0	0	1182	1993	0	4104	0	0	0	0	1121	2790	0	0	0	4142	3635	1056	0	0	4065	4216	1236	0	4242	4924	1044	11010	0	41260	0	2875	2255	2789	2413	1734	0	0	0	0	0	0	0	1651	6577	0	5674	23376	27563	0	0	13716	1022	1106	7541	6020	2382	0	0	0	0	2982	6028	7602	0	0	0	0	2974	2040	967	0	0	3037	1243	Lipid	0.1	1.8	0.0
16	C19 H36 O1 N2	309.29004	309.29037	0.124218345	309.29007	67482	62228	46887	64241	0	0	1943	0	0	0	0	0	0	0	0	0	8004	0	0	0	0	0	0	0	68110	0	3517	0	418419	10838	648012	547454	977763	386013	0	178637	2623950	0	0	0	0	0	0	0	0	0	0	0	1719135	0	65462	60380	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20645	0	0	0	0	11134	21049	2178859	71711	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55190	57745	0	0	0	492386	0	0	0	0	0	0	15224	0	Lipid	0.05263158	1.8947369	0.10526316
6	C15 H7 O5 N3	310.04584	310.0463	-0.1084402	310.0458	0	0	0	0	0	1843	0	0	0	0	1304	0	1598	351	0	0	0	2106	0	0	0	0	0	0	0	0	0	2380	0	0	0	0	0	915	0	0	1029	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	907	1090	0	0	0	0	0	0	4009	0	0	0	0	0	2352	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1233	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23265	0	0	0	0	912	Unclassified	0.33333334	0.46666667	0.2
12	C13 H11 O8 N1	310.05576	310.05624	0.3097236	310.05585	9773	10069	7678	11686	20635	13906	0	1934	25489	2804	3932	6289	28983	7472	2376	4344	8679	24650	33148	3230	7487	12661	9040	5238	1592	0	2750	0	3240	1267	4261	2263	9480	3041	8164	1975	8387	4901	7376	2142	8250	10988	300	0	306	2726	0	0	4838	2477	6431	6461	16936	0	28895	17546	11280	8805	0	0	0	0	59508	34695	9661	30880	14116	7385	0	1936	1833	3079	2161	0	6303	1243	0	4919	7274	0	5629	1272	2120	1226	18586	6216	8302	17456	17180	16263	0	2833	10178	7888	3007	0	12279	9960	14977	19734	16560	9877	6752	0	0	9477	11494	0	3261	61867	Phytochemical	0.61538464	0.84615386	0.07692308
14	C13 H11 O8 N1	310.05576	310.05624	0.2307595	310.05582	14206	12505	8270	9801	25105	18925	2679	5394	24243	2761	2312	8390	36078	11516	4587	5534	8436	34707	23830	0	4855	13952	10230	6302	1949	0	3026	0	3243	2687	3928	0	15929	3093	6695	2597	12093	6258	3327	1799	8030	16333	0	0	240	0	0	0	4479	2093	9968	7327	19644	0	25546	14346	12028	5583	0	0	0	1474	56677	27110	10368	35971	14203	10806	0	0	1537	2262	2749	0	6216	1796	0	6969	9958	0	5551	0	0	0	21123	5572	7709	15995	17709	26003	0	3817	17496	9109	4668	0	11150	7875	13002	22156	17192	12376	6829	2620	0	12844	12411	0	2551	68018	Phytochemical	0.61538464	0.84615386	0.07692308
18	C13 H11 O8 N1	310.05576	310.05618	0.27868113	310.05582	3698	3038	2151	3295	10598	5438	2126	0	7505	0	0	2234	16290	6020	3050	6935	4344	14764	11966	0	0	4435	3677	2367	0	0	1427	0	0	0	1878	0	4415	0	0	1975	3767	2563	3938	0	1546	8110	527	331	0	1944	0	911	2177	1616	2693	2784	7256	0	13283	8734	5154	1914	1255	3560	4777	943	16801	11623	3081	13054	6753	1734	0	0	0	2323	1967	0	2789	0	364	3289	4636	4508	4622	0	0	0	9178	5951	5183	8538	8661	5103	0	0	4720	0	1778	489	1747	3835	4509	4721	3774	3107	2778	0	0	3296	3373	0	3487	27180	Phytochemical	0.61538464	0.84615386	0.07692308
16	C13 H11 O8 N1	310.05576	310.05615	0.20898841	310.05582	9572	9513	8468	9922	18868	13861	4077	3540	15059	0	2169	5808	23921	10107	3012	7192	7269	27956	20490	0	0	9569	6439	7046	2529	0	5169	2834	4403	1261	5805	4373	7904	4612	1601	4090	14460	4339	8864	2862	7175	12599	410	0	623	0	2355	603	5071	5061	7706	4919	15036	312	16638	12368	7630	11421	0	4348	13594	2027	36426	25817	5968	25618	11975	8669	0	0	0	1591	4063	2268	5215	3879	370	5141	7508	0	5320	1175	1172	0	13033	7640	12677	14036	12524	0	0	5123	0	6583	4539	0	10537	7891	8674	13395	10024	8141	4463	0	0	0	9475	323	4373	49250	Phytochemical	0.61538464	0.84615386	0.07692308
8	C13 H11 O8 N1	310.05576	310.0563	0.33577672	310.05585	2477	3848	2791	4041	10022	4538	754	0	13650	2150	2075	2132	19713	3134	782	0	2849	9673	12743	0	3434	5750	2340	2483	654	0	0	0	1068	0	1230	998	5043	930	3454	0	1507	1921	2314	1451	3932	4360	0	0	0	0	2362	0	1660	1458	2306	2746	6148	0	15356	11024	4547	1201	1138	2305	0	1018	27294	17475	3859	13176	4484	2832	0	0	0	872	884	0	2776	912	0	1212	3070	0	1991	544	0	0	11589	0	1872	7792	8401	4564	0	0	5224	3651	1405	0	4874	2546	8232	12266	10913	2368	1969	0	0	2707	6524	0	918	31686	Phytochemical	0.61538464	0.84615386	0.07692308
10	C13 H11 O8 N1	310.05576	310.05624	0.23995937	310.05582	8212	8198	8480	8210	20724	10181	1635	1362	21959	3260	6629	2934	32179	5944	4052	5007	3670	21353	22595	2675	5448	14353	7214	5241	1403	0	1469	0	3192	2119	2236	3372	9728	0	9269	1445	5258	3190	5899	3825	7287	8527	0	0	0	2478	4534	0	3259	0	6780	8314	12348	0	23663	15446	7184	4348	0	4136	0	4076	44446	26935	8170	24572	9406	7913	0	0	0	1235	1100	0	4638	1491	0	2447	7091	0	6186	890	0	0	19787	5475	7079	13946	13142	11144	0	2168	9335	9215	5467	443	11478	7722	13307	19692	18447	7851	3732	0	0	6017	12187	0	1086	49331	Phytochemical	0.61538464	0.84615386	0.07692308
10	C17 H11 O5 N1	310.07098	310.0716	0.25374588	310.07108	2115	2543	2485	1198	25464	5653	1005	0	7283	1722	1655	866	8727	4634	1777	1460	0	3643	7073	0	0	0	2878	1750	0	1345	990	0	0	0	0	0	0	0	0	0	0	1876	0	0	2507	0	0	0	0	0	2531	0	0	0	2422	1593	6757	0	6024	4906	1943	0	0	0	0	0	3735	4913	1133	10493	4156	0	0	0	3050	0	0	0	0	0	0	0	6191	0	5447	1436	0	0	31085	3852	3690	0	1542	0	0	0	0	1873	1200	0	3566	1864	7330	11863	12339	0	798	0	0	1193	10553	0	885	9256	Phytochemical	0.29411766	0.64705884	0.05882353
18	C14 H15 O5 N1 S1	310.07437	310.07483	0.2401454	310.07443	8732	7512	10446	5600	8016	6095	2973	0	4739	21454	12600	2397	5644	4613	2834	5451	4349	7490	6584	6814	12069	16208	3047	3274	4667	8676	2566	10602	0	1724	4314	0	8883	0	23455	0	5966	2374	4772	26836	25531	2741	0	0	0	8910	6643	0	4692	1588	5369	4492	7217	0	3450	2241	4053	5804	3956	10056	3678	21275	3554	3177	1282	5171	6809	4510	10645	11526	15105	0	1713	0	1697	0	0	1188	3951	22501	1743	9166	8957	16838	5080	4103	7292	6611	5149	8312	27157	25057	8347	29253	34061	0	6824	6385	3206	4642	4271	6759	1531	8531	6178	5147	5039	0	3613	6878	Organosulfur	0.35714287	1.0714285	0.071428575
16	C14 H15 O5 N1 S1	310.07437	310.07486	0.30709442	310.07446	12650	10233	7821	12318	13057	5312	3452	2880	7411	38465	23358	2750	11995	4416	4505	8344	5481	14701	12182	24406	17019	38271	4977	9235	5383	16392	4294	16782	3555	2093	3868	0	4716	4539	36291	2994	10296	2390	5639	40643	43379	6097	0	0	0	17112	17270	0	5966	1504	13732	14079	8490	0	3364	5694	4772	9166	11056	16675	10898	30967	7106	5889	2968	11931	7240	7105	19022	26588	32920	3353	2628	0	0	1252	0	2235	4769	33970	1945	12560	10743	26627	6162	2614	5757	8270	7495	0	39889	42315	0	45730	53436	0	11676	8534	4854	7033	5957	5771	1625	8987	9139	0	4996	0	6299	12308	Organosulfur	0.35714287	1.0714285	0.071428575
8	C16 H11 O4 N3	310.08224	310.0828	0.27935687	310.0823	0	832	0	1097	740	0	0	0	0	2449	3853	0	966	0	0	0	0	0	1139	1150	1054	1020	0	0	0	990	0	0	0	0	0	0	0	0	0	0	0	0	0	1765	1107	0	0	0	0	0	1634	0	0	0	973	0	0	0	0	0	0	0	2473	0	0	2849	0	0	0	0	0	0	0	1341	0	0	0	0	0	0	0	0	0	0	664	530	0	0	0	0	0	765	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21688	0	0	0	605	0	Unclassified	0.25	0.6875	0.1875
8	C18 H15 O2 N1 S1	310.08963	310.0904	0.88279086	310.0899	0	0	0	0	2252	878	1292	0	0	2925	0	1151	0	0	0	0	0	1658	0	1978	0	0	875	0	0	0	866	0	0	0	0	0	0	0	0	1029	1307	823	0	0	1228	845	0	0	0	0	0	0	0	0	0	0	1443	0	0	0	1042	0	0	0	0	0	2071	1328	0	1039	2422	1728	0	0	0	1147	1487	0	26808	0	0	781	1312	0	0	566	0	0	1738	0	999	1833	1226	1691	0	0	1336	0	0	0	1559	938	0	1758	0	0	0	0	0	0	0	0	664	1944	Organosulfur	0.11111111	0.8333333	0.055555556
0	C14 H15 O7 N1	310.09213	310.09283	0.3058097	310.09222	0	2045	0	0	2553	0	0	0	1610	0	0	0	3408	0	0	0	0	2713	2356	0	1329	0	1353	0	0	682	0	716	1675	0	0	0	1510	0	0	0	1743	0	0	0	0	67450	0	482	641	1361	0	615	1916	0	0	0	1283	698	1513	1223	0	2373	536	0	0	0	0	1994	0	4412	0	0	927	0	0	0	2244	0	0	0	706	0	0	0	0	631	0	0	745	0	0	3379	2539	0	0	1200	0	0	0	699	0	0	824	1486	1566	1746	0	0	1301	0	917	552	0	2380	Phytochemical	0.5	1.0714285	0.071428575
20	C14 H15 O7 N1	310.09213	310.09256	0.2021932	310.0922	11054	11268	13699	11720	16673	13250	8369	11699	14139	12447	10654	9039	25692	9315	9509	14261	10094	26998	22187	3924	10160	20770	13968	13449	12956	2143	6140	5888	15277	8142	10194	13776	16516	10566	6830	7964	16132	10606	11816	10776	10494	13015	2399	2339	2019	5593	4643	2957	12331	6605	13193	15136	15839	2149	18485	15833	8856	13070	7029	6784	12844	8845	25533	18708	9353	23474	12308	12214	3013	0	3503	7352	7274	6302	9060	7978	2366	8948	16100	19428	10627	5614	3711	0	12108	15890	15748	12867	13609	16482	5950	12968	20050	19644	19807	1980	13664	14072	11257	11789	11695	15011	8465	8821	3437	17385	9098	2678	9822	26214	Phytochemical	0.5	1.0714285	0.071428575
10	C14 H15 O7 N1	310.09213	310.09262	0.2153277	310.0922	340671	314323	280564	294247	294643	194286	121757	214881	360467	567209	364441	181840	484406	104951	152548	306021	241521	479660	443524	367022	543318	613365	202910	268463	95838	89051	154904	161944	193131	167986	184052	223588	345914	209573	687745	184179	334892	154894	305044	491328	725699	217837	6534	1195	1836	213714	291617	1952	244031	176472	312574	333429	280783	3099	490559	257442	145658	314725	203527	255095	309500	348973	468622	448752	123478	404289	221867	327313	270889	205119	344320	195685	191064	143516	209698	197219	943	144555	203542	243549	157882	157851	124072	147586	255706	142332	201640	255890	256155	363697	163095	260340	396020	467145	568945	2969	318089	301708	203428	264132	238901	322651	162894	235033	193482	277377	216804	1597	107636	654413	Phytochemical	0.5	1.0714285	0.071428575
6	C14 H15 O7 N1	310.09213	310.09268	0.21546559	310.0922	105554	116522	93761	100558	117704	63508	39366	66674	152818	152011	137300	59754	197473	39765	51455	97140	91308	166747	176712	115817	192391	174441	70553	95476	23047	27936	39490	50573	59560	50894	62438	65507	119513	61826	179485	56059	102861	50641	126660	101821	238032	83084	1932	484	770	67306	129884	588	78520	63679	106024	110110	105364	1232	178754	122985	65305	88261	58764	103228	88234	99742	253437	165519	51769	150848	94088	136094	84640	71150	148007	56225	57439	45011	45247	55398	735	42631	64983	37256	47612	45994	38475	37559	118552	59183	64866	108543	106768	149080	38407	80564	138848	126433	110982	937	102711	95866	82107	124506	127801	110582	55236	86801	61719	99938	96223	815	38679	326848	Phytochemical	0.5	1.0714285	0.071428575
16	C14 H15 O7 N1	310.09213	310.0926	0.21474321	310.0922	102926	103259	96934	98473	114801	96007	52821	71141	104404	193742	101994	53808	183896	60644	68422	88246	65265	205070	172785	87627	144317	205403	80723	85837	56333	24297	43788	69377	67212	49553	66962	71758	132655	60473	237936	49529	127218	62803	74243	134575	163861	83576	4061	1902	2818	65635	86677	2152	83589	56801	101092	107805	117884	2175	141510	76491	65243	102148	52245	56153	90154	97452	162708	133709	43357	151015	88660	72217	54863	60943	72839	58944	60790	47379	57001	55710	1917	51766	91563	141066	58188	52072	41980	56713	88808	61266	106693	97341	100088	141002	83592	122509	159009	144894	161568	2866	104021	95411	63648	72653	77746	97706	48560	58104	33558	104937	71431	2569	60304	233576	Phytochemical	0.5	1.0714285	0.071428575
2	C14 H15 O7 N1	310.09213	310.09277	0.27529326	310.09222	7359	6926	4443	6754	14735	0	3620	5462	15192	7285	8868	5226	27589	6735	3759	1325	4488	14874	14828	5634	14061	12194	5562	3609	1282	2195	0	2709	5923	3487	6082	4637	9983	4173	12790	3392	5847	3366	4209	6561	10010	6790	538	503	974	4107	4513	1003	6200	3017	6587	8438	10691	686	17476	11838	6859	7087	3591	3926	2075	4047	35080	20922	4618	20655	8524	5828	4066	3177	5388	5272	5328	3078	874	4384	535	3247	4676	2750	3998	3297	3211	2425	9746	4961	4525	9960	10054	8693	4159	4353	9969	6885	2040	896	6880	7501	8867	17520	13121	4261	4964	4481	3645	7151	8834	893	2712	33391	Phytochemical	0.5	1.0714285	0.071428575
4	C14 H15 O7 N1	310.09213	310.09274	0.2294041	310.0922	22167	24029	23813	20669	27880	15308	6675	16727	38767	26130	24249	12384	50093	16011	13009	19669	18933	38411	37729	24368	37271	36123	14549	16522	5334	8434	6757	7660	11323	12520	13113	12672	21009	8712	38993	11998	17997	12343	26056	25351	45750	21347	1047	686	1129	19937	30849	870	15580	13478	23436	20434	23042	1129	46193	38986	17754	17926	14450	24862	20823	18252	66542	44817	17338	38464	19484	24288	18060	13060	24857	11477	9691	11110	6968	11363	600	10666	14427	9094	12467	9831	9578	8328	36737	18254	13770	22485	23374	27935	7995	14720	32465	21167	22529	1934	23133	24566	28980	49020	41221	19841	11305	20237	14203	20640	27444	629	8442	74235	Phytochemical	0.5	1.0714285	0.071428575
18	C14 H15 O7 N1	310.09213	310.09256	0.22915637	310.0922	34948	39852	36961	39838	42965	42580	22232	31910	39097	52299	29526	25833	75498	26037	33706	36178	32137	69087	67468	19751	33040	67831	34902	40278	24504	4364	20500	22526	26076	23487	26223	28296	50603	32113	38088	21459	52382	30457	33025	41405	40759	42738	3206	1446	2849	24383	16255	2018	33153	15778	37855	36056	41970	2295	59221	30926	29781	43854	21552	18781	34808	33425	65688	59682	24472	54128	38862	27760	16497	11985	19158	27973	20749	19905	23373	23788	1802	22334	42179	50199	34320	16231	16072	14778	38572	37116	44683	39689	39306	47255	29954	31762	71043	47208	60176	2320	43930	35931	25577	32592	33776	42651	26926	29142	13665	38957	28585	1905	30696	83529	Phytochemical	0.5	1.0714285	0.071428575
8	C14 H15 O7 N1	310.09213	310.09265	0.2107799	310.0922	207252	237949	165687	215736	222346	131096	77900	122153	282810	338262	265652	121740	354449	70540	92054	186717	194763	310123	336736	248685	378143	382581	138953	168756	53876	64478	88558	113383	111337	108717	107717	136129	194092	118669	456246	104729	196574	103242	220537	328429	553895	152478	3586	894	1045	170857	261341	848	147851	108457	216116	214089	187436	1322	371062	190116	119171	150131	129070	183902	181270	254106	417024	366743	105987	277018	154379	203215	190127	142559	312432	119515	122856	92371	118166	121338	705	93461	141254	142899	99976	112358	76160	113544	193980	94578	129816	195288	188738	247142	83610	181137	258776	299980	301915	1438	205680	207597	168511	224654	195151	196337	102246	180213	96257	168170	178181	772	79044	500707	Phytochemical	0.5	1.0714285	0.071428575
6	C13 H15 O6 N3	310.10336	310.10394	0.21413635	310.10342	23357	25747	21732	26735	21528	11250	10163	22711	26279	17271	15176	17671	29882	8960	20881	27443	28273	37419	34189	12719	21727	37302	22639	29934	11835	1340	11658	5974	18597	17513	18045	17250	29061	17839	23624	16940	27639	18552	42302	14746	29216	19125	0	0	0	15959	21161	0	26243	19105	24355	23723	21955	0	29045	16427	16180	29468	18047	26765	27883	13423	37998	25402	16873	28426	21072	44443	4569	8352	7943	19059	14999	13297	14112	15824	0	13943	18221	7992	15968	10169	11440	5556	23007	17904	20579	26182	20857	59486	12296	26106	51726	18608	15579	0	23117	19245	15214	18220	18880	26765	15709	24300	12541	31747	18631	0	14668	44438	Peptide	0.46153846	1.1538461	0.23076923
10	C13 H15 O6 N3	310.10336	310.10385	0.12982252	310.1034	17806	15196	13603	14342	13386	10479	11300	13361	14866	11714	8611	13986	16238	3941	10544	18037	17069	18635	24125	7658	13483	26375	16023	20926	10678	2214	9293	6939	12859	12346	10315	11542	20520	12214	13714	11551	22852	13419	25714	13626	15318	10931	0	0	0	9075	7997	0	12542	9954	17866	15682	13033	0	19467	8371	9922	19797	17095	15546	18223	9507	17740	17466	9298	15412	12205	22718	7936	5263	5320	12240	9639	8145	12469	11514	0	10957	15492	8489	15621	7300	8865	4737	10765	9433	15240	12879	12499	37584	12287	20729	34564	12749	13912	0	18546	18694	7943	8730	10696	13419	11489	16146	0	22234	10682	0	12614	25484	Peptide	0.46153846	1.1538461	0.23076923
8	C13 H15 O6 N3	310.10336	310.10388	0.17486782	310.10342	24311	25736	19761	24062	17148	12579	12870	16560	19895	11614	12245	20321	23016	5407	16212	26805	28890	26097	31072	11678	13540	34284	23555	26548	10912	1820	13359	11975	15316	11544	17344	18195	21786	17086	21191	15766	23806	18202	32537	15384	29679	19419	0	0	0	15729	19230	0	24583	16385	23841	21596	17823	0	27467	11498	16268	21930	19208	26144	17477	13927	29946	25067	12733	22285	20236	35316	4692	5761	9860	18589	13192	14265	17155	14654	0	12913	24573	11970	17230	10423	11315	6297	19818	12866	22395	25422	19358	50360	15469	32384	54071	21879	17720	0	23648	19744	13789	16732	13837	25144	15726	24228	11209	27136	19242	0	15487	37060	Peptide	0.46153846	1.1538461	0.23076923
12	C13 H15 O6 N3	310.10336	310.10382	0.06552574	310.1034	6357	7967	8335	7362	8199	10609	0	6713	9933	5371	3745	7991	11491	3057	5611	7864	12129	15070	10750	3621	4809	12567	8817	9988	7419	1790	3579	0	8827	4514	5809	6552	13217	6767	5336	5298	12764	9448	13511	6690	7329	7210	0	0	0	4187	4083	0	10283	4933	9361	5555	7505	0	10065	3371	5684	11159	5433	0	0	4636	12072	12025	3750	9905	8604	10442	0	1966	1636	5185	4736	3669	5094	5481	0	5857	9441	0	6127	3598	5885	1749	7985	5584	10319	7175	8827	23465	7832	12335	19488	4790	5353	0	9219	8088	5776	4534	4291	7901	5291	6536	0	13196	5764	0	7479	16867	Peptide	0.46153846	1.1538461	0.23076923
4	C13 H15 O6 N3	310.10336	310.10397	0.21100114	310.10342	12591	11688	10463	12976	10699	6361	5448	11022	16110	6394	7380	8791	17219	4347	8518	13625	21217	17026	17625	7276	12415	18470	11841	14110	5429	1019	6833	0	7039	7451	9404	7849	11083	7824	10204	7408	10244	8817	28211	8515	15634	9587	0	0	0	7662	13387	0	9796	8887	10781	10580	9389	0	18529	12283	9452	10721	8086	12477	13830	7104	25258	16482	12517	14281	8062	26480	3156	2893	3649	8131	7835	6248	5455	7054	0	6324	11900	4362	8979	5312	5599	2923	17695	10703	10511	12733	11040	26664	5797	8177	30483	8078	7811	0	11906	13940	12770	18383	13288	12135	8743	11593	8504	13781	11849	0	8279	25270	Peptide	0.46153846	1.1538461	0.23076923
2	C13 H15 O6 N3	310.10336	310.104	0.24572429	310.10342	8903	10775	8231	8537	13244	0	4941	8351	16423	5107	5472	9237	22478	4863	5993	1516	10807	17209	16593	4333	11702	15072	10348	6087	2492	633	0	2096	6667	2831	7792	6160	13007	7238	9377	4605	10892	6041	10815	6718	12109	9552	0	0	0	4288	7348	0	7099	4585	8792	9399	12802	0	18282	10987	9290	8735	4480	7070	1951	5483	35698	18898	11984	22801	13884	15705	1922	2762	3600	5975	5048	3512	793	5164	0	5678	8941	0	6956	3197	3025	2923	15500	8075	8359	15890	12672	20836	3746	8667	21070	8620	1145	0	8467	9045	11842	14956	14019	7214	7961	4888	5019	13266	9831	0	5222	40196	Peptide	0.46153846	1.1538461	0.23076923
18	C18 H15 O4 N1	310.1074	310.10782	0.22945467	310.10745	5855	8612	5370	8825	6752	2851	1806	1630	3099	12990	24870	3312	2020	4408	2366	5917	4392	5971	2861	8269	15277	12049	1862	5765	1986	46747	2626	16381	0	2430	3119	3011	5340	0	19538	2130	3247	3540	3646	14715	32611	4853	439	0	325	11645	18851	368	2404	1783	7187	7029	5408	311	2600	3332	2573	5913	1426	7274	3478	8971	2360	1633	3527	5292	6300	5260	45642	36643	76662	1178	0	0	3850	0	288	1498	5525	21745	1706	8141	2474	14135	8071	4940	5155	4974	4412	11852	11845	7100	3659	17590	20123	0	5677	7105	3959	4460	4515	5174	0	3128	5738	4625	3013	0	4610	3573	Phytochemical	0.22222222	0.8333333	0.055555556
16	C18 H15 O4 N1	310.1074	310.10782	0.24163488	310.10745	4719	6136	5768	4773	3274	1479	3203	0	2408	15329	20497	0	0	2273	0	4868	4057	2897	5264	8345	11658	7141	2172	6243	3179	39697	2268	12229	2690	3483	1952	0	2631	2400	10327	2205	4791	3015	2918	12081	19423	0	0	0	0	7467	7760	0	3269	3201	5432	6747	2418	0	2542	3334	1234	5002	1516	5639	0	6147	2501	2567	1643	2922	3280	5677	42238	44500	66498	3572	1255	1829	4193	1956	0	2562	5350	17454	3251	6333	2553	9272	2686	1277	4205	4108	3718	0	6633	6766	0	17646	15449	482	6199	5493	3399	2767	1262	1620	0	5184	0	0	1770	0	2508	2168	Phytochemical	0.22222222	0.8333333	0.055555556
10	C18 H15 O4 N1	310.1074	310.1079	0.27262124	310.10748	5062	5467	3452	3491	3807	1866	1781	2487	2341	12442	15288	1863	2258	1402	2610	4765	4409	1789	3142	13953	15695	2628	2269	3960	3473	27565	2847	12212	1607	1708	2253	2453	2878	2621	9985	1701	2422	2405	3711	8739	13744	1112	0	0	0	7446	12930	0	2455	2226	5272	2371	2639	0	3093	1548	2010	2775	0	1999	0	3886	1676	2509	1779	1945	2155	4829	24310	27939	39738	3059	2569	1664	2924	2969	0	1370	4715	5189	4935	1657	0	5426	1989	1362	3354	3298	1607	6688	0	0	4207	5825	11481	0	3134	3428	1611	1898	1112	3562	1676	2471	0	2817	1277	0	4372	1869	Phytochemical	0.22222222	0.8333333	0.055555556
12	C18 H15 O4 N1	310.1074	310.1079	0.26730216	310.10745	1857	2865	4402	2300	3850	2428	0	2660	3567	8573	11288	0	2577	2017	2108	0	2221	2774	2926	9908	19560	4516	0	0	1115	33941	0	0	1957	1220	2543	1376	3769	0	9934	0	1515	1623	3311	8062	9121	1615	575	0	0	6362	8435	0	1598	1881	3107	4740	2579	0	2798	1691	1562	0	0	0	0	3314	1276	2096	1413	2192	2245	7018	26678	36742	57322	1803	1499	0	2437	1596	0	1893	2260	0	2945	2842	1047	7867	1875	2156	2392	2231	2368	9679	0	0	3679	5490	9421	0	3435	0	2542	1284	1639	2002	989	0	0	2882	1402	0	2801	2833	Phytochemical	0.22222222	0.8333333	0.055555556
8	C18 H15 O4 N1	310.1074	310.1079	0.19295128	310.10745	3128	2967	2430	2729	2505	1566	1642	1687	2219	5508	9922	1114	1049	1220	1209	1787	3016	2008	2850	6571	11673	2132	1649	2384	1669	15830	803	8523	1260	1385	729	1233	2831	1548	7656	1448	2243	1514	2643	6778	7948	2177	0	0	0	3554	4960	0	1533	2347	2293	3467	2769	0	1994	1221	1431	2437	0	950	0	1588	1414	2170	0	1453	2495	4552	13053	15428	26761	1174	953	0	1536	1963	0	1445	2262	3643	1466	1176	0	5105	1076	0	2621	3699	2451	5759	0	0	2203	4766	5819	0	2692	2933	2167	1365	0	2644	1813	0	0	1617	1658	0	1452	2696	Phytochemical	0.22222222	0.8333333	0.055555556
22	C15 H19 O4 N1 S1	310.11075	310.11118	0.31644624	310.11084	2690	2105	1854	2020	2159	0	0	0	0	1902	1531	0	0	0	0	1374	4759	0	2659	0	2883	3051	0	0	0	0	0	1798	0	13014	0	0	1540	0	1510	3075	0	0	4527	3373	7365	11127	4540	0	0	1544	2260	0	1193	3219	3338	1872	1403	515	1468	0	1114	1532	1609	10760	4799	2292	0	0	0	4064	3766	2569	1865	0	0	1640	1486	0	0	0	495	0	0	5898	0	1750	1226	1766	0	1296	1536	0	0	31253	5006	3736	1578	4392	3027	2860	1908	2868	2673	1819	2166	2676	5386	1192	1528	0	2318	0	0	1796	Organosulfur	0.26666668	1.2666667	0.06666667
12	C15 H19 O4 N1 S1	310.11075	310.11148	0.7074037	310.11096	0	20021	0	16483	0	14152	0	20971	15265	39496	11892	14682	15597	7195	19518	26311	0	0	0	52850	40986	31057	0	27831	0	14728	15748	10798	20301	0	17289	19880	0	19097	53522	17335	0	17568	0	45194	38540	17295	4425	0	0	18825	20997	0	21846	18972	24332	22484	0	0	0	9008	11558	32362	0	13161	24429	13608	17738	21302	9829	0	16034	36504	0	21640	51800	18565	15904	0	0	16204	0	17170	23672	0	21129	12773	0	30080	10808	0	26838	21145	19815	0	30880	52520	0	18353	24539	0	23376	0	13229	9694	6660	0	0	0	0	0	0	0	0	0	Organosulfur	0.26666668	1.2666667	0.06666667
0	C15 H19 O6 N1	310.1285	310.12918	0.15026927	310.12857	9857	9224	8811	10945	10653	10016	3632	10977	11925	8520	6054	7780	16540	6008	5227	3512	8255	17344	15011	6569	15671	12337	8003	9227	4397	5382	2285	5319	12119	5596	9957	9799	13058	8661	13715	10752	9481	5145	10881	8554	8575	11873	0	1709	3055	5680	5000	1143	9565	7971	9330	7395	11362	1648	11912	10151	6387	12362	4490	5503	6497	4541	16024	12558	8103	14963	13783	9812	5890	7044	5834	10013	14421	9992	2792	12780	2684	4872	5613	3963	3986	3511	4436	2817	8716	6451	5613	10267	11822	5521	7361	8265	14029	7557	4223	2245	9017	9715	6648	9753	10502	10465	5136	8315	5299	8969	10686	1525	5392	23223	Phytochemical	0.4	1.2666667	0.06666667
4	C15 H19 O6 N1	310.1285	310.12912	0.14466193	310.12857	240644	274882	227620	248712	125893	82196	56951	228410	146567	180763	121256	159934	476632	62996	145230	276300	284354	193416	191695	172396	227216	201830	99253	282900	93710	61881	61823	69679	91288	168678	186460	103712	276774	93981	238075	107680	258864	64142	347738	147835	199191	106939	3059	2592	2859	124183	163151	2525	108779	100656	249976	214162	118501	2930	178487	254836	136206	132879	190544	276886	261224	100834	438012	161348	56744	166915	188704	154638	99805	93632	124778	169594	174856	198338	61791	94900	1942	133390	147152	67747	132768	75990	138118	58372	257928	77747	145346	221526	120603	110723	83785	109492	326318	121315	148158	6218	231630	285064	100793	309146	145515	279392	141118	148237	84939	216624	215840	2705	106172	520992	Phytochemical	0.4	1.2666667	0.06666667
20	C15 H19 O6 N1	310.1285	310.12894	0.2011086	310.12857	41660	40969	42074	35613	55261	40918	26074	46250	41036	31830	26939	29637	52164	30011	36818	52010	50474	87911	82029	19693	32338	38955	40610	56170	33401	19364	27613	55354	54026	38374	40097	48358	59594	53624	32352	40509	62768	27535	46740	30822	44119	42084	7414	6646	7148	26620	23617	6990	43610	34560	45131	41791	49951	6675	58180	35035	25705	58919	27556	30172	49105	23356	71801	53791	27032	49721	44174	46534	23384	19129	27532	41927	45129	32853	42108	36899	7160	26053	36455	47044	31177	18407	24642	16484	83357	32865	41977	48085	46197	42397	41147	39597	65867	31528	29908	8293	44205	46179	32351	28125	41294	59126	32030	36299	18991	47643	36810	7799	35202	75913	Phytochemical	0.4	1.2666667	0.06666667
6	C15 H19 O6 N1	310.1285	310.1291	0.14240162	310.12857	658586	699668	622114	346340	255158	184412	346950	315113	623144	480079	285193	391814	439732	132704	422082	357009	558906	843222	415212	444519	1117398	474532	231219	350051	258572	172265	174816	172181	608722	560310	553142	334941	878798	301618	599299	584244	410241	395364	796994	300143	491912	444796	4643	1783	2879	321691	366770	1977	398532	263000	709122	675816	517308	2957	783560	223452	148728	348283	458894	662160	659438	244208	406009	275068	111714	357061	490748	391265	231133	282438	374274	272290	285048	267891	183317	520422	2225	352054	364356	152663	173096	400080	211454	185149	204749	164254	414514	238919	285596	724998	199642	613884	423985	555036	374980	3288	666200	305247	159931	238771	266223	800772	190910	372274	172130	320288	413968	1949	303286	1092880	Phytochemical	0.4	1.2666667	0.06666667
8	C15 H19 O6 N1	310.1285	310.12903	0.12549236	310.12854	588655	628085	453221	593984	347660	282324	342172	601798	407577	711139	399415	403228	502531	147623	786500	744503	641944	523055	617932	874509	900174	1920180	860404	1430388	299394	404823	397957	329152	637503	527116	514307	672038	736104	567832	1012584	552984	731730	368893	781814	717721	1610882	382319	7868	2363	3439	600101	600955	1974	771311	501347	573641	607585	373554	3471	554602	283871	235270	615061	422467	950594	641591	500473	460248	447533	188716	451636	365462	1456576	474671	600481	688459	556823	558480	470164	504852	614155	2410	367768	425568	307024	361866	392087	846702	408191	298809	216635	396155	407766	481426	768652	350912	628296	891799	498030	659887	5084	596752	603770	265186	309168	295529	697265	373881	663198	265332	1306508	302204	1815	699500	619758	Phytochemical	0.4	1.2666667	0.06666667
10	C15 H19 O6 N1	310.1285	310.129	0.14498107	310.12857	869471	775531	746180	700241	494913	421037	534073	817474	577394	1190830	639072	506949	648156	226999	529889	960475	735124	836075	837643	1383563	1474564	1174599	564099	907505	458514	770320	569360	549625	762871	704742	651213	793743	1048258	724078	1394984	694372	998555	507182	929311	1282465	1143992	494778	17908	4030	5173	811660	765734	3919	808511	668286	818032	803250	511921	6443	858305	407570	286432	943224	716500	703730	967223	765580	553229	636682	264656	602680	452164	883913	843604	1225701	1095720	706386	658591	664308	721851	705633	3422	468004	559608	487398	514736	569052	629045	635592	434187	354090	600885	525073	546963	842595	590357	855425	1065004	805306	1208714	7892	825998	839618	378297	388226	395581	916437	472084	923046	470346	776607	441263	4025	492272	832582	Phytochemical	0.4	1.2666667	0.06666667
14	C12 H23 O6 N1 S1	310.1319	310.1324	0.045455873	310.1319	0	0	0	0	4420	5958	0	3578	2390	0	0	0	18418	3934	0	0	0	11484	6718	0	0	0	2848	0	5068	1288	1819	0	4974	1303	2410	0	3932	0	0	2551	4014	2536	0	0	0	3160	0	0	0	0	0	0	0	0	0	0	5826	0	3162	3350	1450	3898	0	0	0	0	4924	0	3612	25765	19316	0	0	0	0	0	2750	2842	0	0	0	1480	0	0	0	0	0	0	0	0	0	4064	2140	0	0	0	0	0	0	0	0	4296	0	0	0	0	2308	0	0	1900	2260	0	0	0	Organosulfur	0.5	1.9166666	0.083333336
8	C14 H19 O5 N3	310.13974	310.14023	0.040430307	310.13977	72454	77011	65920	77758	27447	25978	60640	90861	35101	48367	36779	57355	37666	12436	73796	107588	93164	45264	55219	64248	64358	111908	74383	122609	63473	12323	60467	43874	69081	72346	77391	81460	90705	74366	76447	75351	96388	70171	112382	71176	85667	36970	517	0	0	79528	82304	0	87880	83023	67441	71874	34569	0	51299	20852	31530	98667	74824	77424	111303	46206	35073	39755	33102	39015	40227	109784	19184	29368	31514	84679	71711	72260	61819	76209	0	56185	73045	53207	66843	46856	68243	36855	25039	34057	72942	54113	49552	172409	80925	110219	188934	58172	69821	410	79822	74045	23339	22857	23494	89066	56092	98507	35851	92221	36889	0	71144	45500	Peptide	0.35714287	1.3571428	0.21428572
0	C14 H19 O5 N3	310.13974	310.14038	0.02386292	310.13974	14983	15697	16594	13708	14822	20186	7515	21622	14809	8901	6251	13022	16523	6440	12476	3304	20760	20474	19967	11556	22122	23179	14922	17948	8470	3143	0	7453	21355	9058	16812	20943	30028	21027	14887	20688	25048	12309	25029	14693	14229	23320	0	0	0	8437	7492	0	23806	13720	13953	13270	16124	0	18777	7858	7131	26872	10168	12250	8414	6159	16858	15486	17265	18578	25444	21604	3571	5963	5323	16521	26253	13379	0	18474	0	10534	10747	14063	7165	3889	6875	4629	10042	9669	10826	19181	20083	19160	22687	17074	36893	9974	1747	0	17639	16830	7842	6449	9317	16140	7653	14852	4410	23104	10209	0	9562	30092	Peptide	0.35714287	1.3571428	0.21428572
22	C19 H19 O3 N1	310.14377	310.1442	0.2138307	310.14383	4123	3494	3714	3775	2906	1842	1716	3203	0	5504	15083	2461	0	0	0	3705	3212	0	2440	7546	7449	4432	0	3254	1219	32432	0	12927	1824	3180	2264	4138	3441	2366	2752	4905	3655	1335	1976	4875	19086	1383	0	0	619	3293	10422	0	0	2379	4363	1667	1316	477	0	1351	1143	3543	1192	4671	2124	6724	2349	0	0	2353	3695	5081	31730	14587	26178	2874	2796	4672	1828	2572	0	1280	2647	7419	0	3966	2543	9448	2566	1888	3260	2782	1441	4902	3956	2788	3154	5427	5988	0	2662	3102	1372	1573	2840	2565	1501	3916	2962	2168	1774	0	1092	2312	Phytochemical	0.15789473	1.0	0.05263158
20	C19 H19 O3 N1	310.14377	310.14417	0.2137705	310.14383	5511	2223	4239	4610	1753	1393	1532	2721	0	5091	15703	1402	0	4332	1986	2789	3680	0	3873	6199	5580	3065	0	4242	0	43623	1572	12371	0	2674	2541	1833	2187	2851	5304	2491	2439	0	2880	9748	15264	1973	483	0	257	2436	5983	0	3001	1607	5136	2643	1090	0	0	1442	977	2583	0	4283	1388	4744	0	0	1620	1924	0	3427	29885	19807	39815	2926	1299	2908	2056	0	287	0	1591	7715	0	3394	1602	0	1813	1139	4034	1940	2246	6806	2540	4324	1933	5059	4653	613	3196	5090	1761	0	0	2458	1316	2989	1354	3818	1700	0	1413	1612	Phytochemical	0.15789473	1.0	0.05263158
14	C19 H19 O3 N1	310.14377	310.1442	0.12607895	310.1438	2754	2392	1875	2997	0	0	0	3275	0	4351	9555	0	0	0	0	0	0	0	2324	2450	4386	0	1167	0	0	29780	1113	10201	1717	1274	0	0	1483	0	7239	0	0	1121	2238	4682	6779	1707	0	0	0	2195	3763	0	1647	1073	1552	1932	1295	0	0	870	1066	0	0	0	0	2982	0	0	0	0	1016	2348	0	16836	27135	1226	0	0	1459	0	0	1517	1595	0	1920	0	0	2963	0	0	0	0	0	4931	4563	0	3021	0	3766	0	2011	0	1100	981	0	0	0	1842	0	0	0	0	1234	0	Phytochemical	0.15789473	1.0	0.05263158
12	C19 H19 O3 N1	310.14377	310.14413	0.07259463	310.1438	0	1808	0	2460	0	0	0	2547	0	9675	8952	0	0	1502	0	2509	1963	0	0	13936	11560	0	0	0	0	34549	1698	0	2646	2052	1482	0	1806	0	9054	1199	0	1438	1801	2983	4361	920	0	0	0	2553	0	0	1824	1563	2371	3293	0	0	0	0	768	2219	0	0	0	0	0	0	716	0	1473	0	0	26217	37022	0	0	1170	1158	1025	0	0	0	0	0	0	0	6065	0	0	1492	1351	996	5130	0	0	2555	0	6044	0	0	0	0	0	0	0	0	0	0	2646	0	0	0	0	Phytochemical	0.15789473	1.0	0.05263158
18	C19 H19 O3 N1	310.14377	310.14417	0.20091577	310.14383	2169	3239	3792	2211	0	0	1667	2296	0	7674	8400	1478	0	959	0	4346	1372	0	2020	9412	7343	2798	0	1716	1503	38389	1492	12592	0	0	0	2233	0	0	2888	0	3091	2494	2807	5618	12111	1400	0	0	0	3540	3940	0	0	0	3107	3169	0	0	0	0	1360	3040	0	5223	3508	3180	0	1575	1272	0	2170	3640	32339	17958	48295	1802	0	0	2409	0	0	0	0	5677	2716	2227	1842	4898	0	1637	0	2215	1534	8369	3010	2077	6120	3035	6652	0	3513	1890	1511	0	0	2102	0	0	2176	1625	1632	0	3180	0	Phytochemical	0.15789473	1.0	0.05263158
10	C19 H19 O3 N1	310.14377	310.1442	-0.02303025	310.14377	3045	3999	3053	1572	1183	0	0	1746	1465	11791	9155	1461	0	1504	0	2349	1590	0	2221	15343	14220	2320	861	4820	1303	34363	951	12230	993	2691	1228	2132	1585	1749	8530	1952	3064	0	2012	5015	5010	1894	0	0	0	2183	5239	0	2155	2613	1946	4458	1843	0	0	0	1115	1740	0	0	0	1687	0	0	0	1512	1680	2200	16025	24152	29597	2206	2044	1196	2252	1773	0	838	1457	5891	1064	783	0	4120	0	0	1594	999	1542	4217	0	0	4844	2678	7001	0	1971	1200	0	0	933	2109	1590	0	0	1933	0	0	1099	0	Phytochemical	0.15789473	1.0	0.05263158
28	C16 H23 O3 N1 S1	310.14716	310.14737	0.19405027	310.1472	1853	1350	2066	1512	230020	14508	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2243	1558	103709	0	0	0	0	0	0	0	0	0	0	0	0	0	1355	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1892	0	6022	0	0	0	0	0	0	0	70385	0	0	0	Organosulfur	0.1875	1.4375	0.0625
24	C12 H23 O8 N1	310.14966	310.14984	-0.3975867	310.1495	1307	2040	0	0	9853	0	0	0	0	3449	9393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19038	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1281	3068	0	0	0	0	0	7137	0	0	0	0	0	0	0	0	0	0	0	2308	0	2549	0	0	0	0	0	0	0	0	0	0	0	0	8239	0	69906	0	0	1040	0	0	1581	0	0	3013	1295	0	0	0	0	1077	0	0	0	0	0	0	0	31046	0	1914	0	0	0	A-Sugar	0.6666667	1.9166666	0.083333336
0	C12 H23 O8 N1	310.14966	310.1503	0.1168233	310.1497	24615	28011	26836	25619	19606	77365	2963	87315	5751	4352	0	14766	29736	12386	44543	11709	2655	84949	18329	4484	9979	11105	26071	37283	46871	0	0	0	109945	36322	94431	85460	119372	334508	7831	68754	78375	11232	3435	0	0	33734	0	0	0	7625	0	0	81210	30586	27155	22816	19325	0	5150	1158	0	44766	0	0	33750	0	18479	6341	0	53135	40621	4580	0	1836	0	338917	301986	92399	0	54528	0	50803	0	0	2556	0	0	0	0	2649	0	129690	41156	0	0	0	19985	0	0	0	25102	26760	2264	0	0	34222	21829	3317	0	43578	2159	0	0	47491	A-Sugar	0.6666667	1.9166666	0.083333336
2	C12 H23 O8 N1	310.14966	310.1504	0.26256692	310.14972	3941	0	0	0	93251	20566	0	0	6618	0	5666	0	20776	69211	0	0	0	8922	10313	0	0	0	0	0	0	662	0	0	4455	2987	0	5590	0	0	0	0	0	0	0	0	0	38034	0	0	0	0	0	0	9155	0	0	0	51384	0	2789	5196	13912	0	0	0	0	0	3128	5905	13322	31007	58253	0	0	0	0	8518	11092	0	0	0	0	0	0	45588	0	0	8554	0	22974	4934	0	5042	5345	0	0	18242	0	7032	2212	0	0	0	4432	4006	7758	0	0	0	0	0	45017	0	0	9539	A-Sugar	0.6666667	1.9166666	0.083333336
2	C13 H19 O4 N5	310.15097	310.1515	-0.013118115	310.15097	26142	26512	23438	24462	1156	0	30276	44208	1926	5504	5174	20400	0	724	17349	34827	89482	876	4147	2954	3772	8383	8232	38380	0	768	37460	35230	47474	53719	61824	39225	162491	35557	5572	37445	166974	14442	97188	3579	4424	0	0	0	0	4467	2569	0	67847	42110	21687	24176	0	0	0	0	0	29800	2120	2973	23333	1128	0	0	0	0	0	106785	1074	3706	4834	39289	40389	59835	59861	41011	0	20480	9627	77016	7846	0	0	1378	0	3985	10124	14721	9351	32651	21818	6844	26045	16020	0	0	23146	26350	0	0	0	171797	20594	3823	1497	67408	0	0	12147	2501	Peptide	0.30769232	1.4615384	0.3846154
0	C13 H24 O2 N3 S1 Na1	310.15598	310.15637	-0.13728504	310.1559	0	0	0	0	0	13173	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7257	0	0	0	0	870	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26906	0	0	0	0	0	0	0	0	0	0	8271	3091	0	2216	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.15384616	1.8461539	0.23076923
2	C16 H23 O5 N1	310.1649	310.1655	0.08006206	310.16492	215852	220049	195108	197979	71713	120715	137415	612944	65991	468306	122195	347190	95421	41738	339338	554922	475976	111640	138005	544446	648074	553376	316006	442162	232148	98283	115645	99592	621174	223309	529850	281503	671310	498796	625116	541572	565122	302710	546316	509878	235216	126710	1278	935	1448	291128	359962	909	668846	425836	209214	213737	119857	1191	187798	46467	57108	695562	206850	147028	563940	264482	86547	80692	50459	136868	134470	608258	127267	397106	209746	524050	267655	265623	345006	475260	879	309176	297624	198206	263018	82202	111503	199006	49579	137096	131191	124955	294982	421294	184525	231536	630922	313484	450106	2192	424680	220406	49796	47511	55874	252041	302962	648648	107205	1034280	46706	881	123154	104702	Lipid	0.3125	1.4375	0.0625
28	C16 H23 O5 N1	310.1649	310.16528	0.2014691	310.16495	5109	4339	4488	6242	3613	15079	3171	5181	3055	4413	1690	2265	2301	2532	3671	4036	7312	274185	10858	4516	3267	3511	4477	4309	2782	0	3048	2331	4292	5495	2916	3332	5258	3948	2374	4727	4978	2273	5357	3893	2516	4569	1660	1513	3263	3089	0	1582	4859	3994	6717	4325	2838	0	3367	2227	2335	4984	2417	2119	5559	1656	2343	2336	3189	1637	3012	3941	2336	2841	2866	4177	2910	3059	3916	4924	0	2492	3991	0	2269	2134	2907	1575	0	1807	2684	12595	5179	5327	5695	3945	5802	1262	2502	1717	5378	7839	2548	2858	1853	5078	4415	3471	0	3157	1550	1515	1790	1539	Lipid	0.3125	1.4375	0.0625
22	C16 H23 O5 N1	310.1649	310.1653	0.20587197	310.16498	21834	20699	21336	27307	37586	27675	12699	22994	22962	23937	20751	15962	35798	21163	20373	24504	22760	55016	33849	36070	29588	21850	18710	28024	21535	10956	14905	16744	28731	20694	21668	21554	29657	29427	22868	25477	33551	15359	22263	18645	26421	23030	3940	0	3318	18941	18763	3296	26116	20338	25573	24642	24558	2642	28115	30122	18555	32484	22973	17614	34015	16098	25379	18884	14622	33358	26013	21964	10790	7288	22284	25232	21421	21642	17154	25044	3548	14792	19088	17443	13147	15239	15737	10992	23787	18715	20486	25694	20953	23326	37531	32938	31327	20838	32667	2794	21842	26576	27153	22892	29128	37258	16853	29416	17800	24408	25348	2679	17712	37856	Lipid	0.3125	1.4375	0.0625
20	C16 H23 O5 N1	310.1649	310.16528	0.17053838	310.16495	102077	100947	109395	90105	113518	95872	68795	109676	68481	131069	86631	72335	157861	75470	84638	137429	110021	147468	131690	171980	178583	108184	76982	125523	66833	81474	61621	82903	139308	103444	93657	131808	152552	138228	128100	106004	181823	61017	96233	114497	120495	96744	5872	2961	2957	87195	87530	2620	125728	90582	98334	91027	104191	2872	90897	92303	55204	131811	73201	71161	136157	83835	87259	77780	45931	115024	88672	109531	76352	76137	105112	100962	109490	113868	114493	107224	2747	69869	82395	96755	59749	56908	73221	79982	73988	64562	92575	98907	84014	96930	155985	149756	138997	85035	108891	4044	109215	123657	62010	82410	107560	167965	68605	123007	67203	111442	64005	3444	76443	120661	Lipid	0.3125	1.4375	0.0625
2	C13 H27 O5 N1 S1	310.16827	310.16898	0.37035155	310.1684	1308	0	0	587	0	0	0	0	0	0	3558	337	0	0	0	0	0	0	0	0	0	523	0	0	0	0	0	18477	577	427	464	0	1091	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1149	0	379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	651	0	0	0	0	0	16488	0	0	0	0	0	0	0	0	0	0	23575	7083	0	3333	0	0	0	855	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.3846154	2.0769231	0.07692308
10	C15 H23 O4 N3	310.17615	310.17657	0.058818832	310.17615	17433	18186	13271	15917	6468	6213	9352	19747	5241	11729	7792	13523	4117	1961	12711	17588	24209	12186	8826	19743	18300	29482	13372	25631	12456	9045	12266	12063	18084	18725	12407	20825	26445	26526	13160	20891	22325	12334	22930	18530	14143	7831	0	0	0	12981	17258	0	22539	18736	18101	15565	6347	0	5664	2644	3106	23895	5199	10705	24731	8145	3511	4208	4332	8295	7723	26436	0	15812	15197	16985	19107	16657	21181	16877	0	9952	12859	18724	11739	5309	10407	11576	4727	5246	12491	8001	8269	29907	47553	23417	38973	8869	16077	0	16938	16082	4010	2912	3448	25665	12405	17452	0	22729	3600	0	14655	5341	Peptide	0.26666668	1.5333333	0.2
8	C15 H23 O4 N3	310.17615	310.17664	0.052551176	310.17615	26706	27801	23385	23429	10563	10293	19503	32264	8381	22816	11994	18104	10022	6202	17957	32124	30221	9874	20882	27700	30026	30942	18377	38748	19671	11064	17542	16925	24817	21925	24312	34679	30223	31187	27846	29444	35857	19698	41190	27869	21042	12560	0	0	0	23654	26116	0	31068	26766	23958	22054	12177	0	10401	3430	7242	29514	7039	13048	26967	13047	11933	9350	5895	12813	10908	35893	8899	19417	14900	25241	23063	24691	23881	26393	0	17400	24379	27318	18000	11715	12018	18466	8798	6484	26121	15369	12874	68282	61843	34463	67440	16916	30343	0	25927	23966	5327	4491	5475	32754	16571	30512	8304	29744	7130	0	23931	13125	Peptide	0.26666668	1.5333333	0.2
16	C13 H27 O7 N1	310.18604	310.1864	0.11840512	310.18607	0	0	1764	0	1982	0	0	0	0	0	0	0	0	2293	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2421	745	524	629	0	0	0	0	0	0	0	1270	496	5450	0	9703	0	0	0	0	0	0	5827	29412	6495	16143	0	0	0	0	0	0	0	0	0	699	0	0	0	0	0	0	0	3038	11429	0	0	1177	0	0	0	0	0	0	464	0	0	37384	0	0	0	0	0	0	0	2130	641	0	0	Lipid	0.53846157	2.0769231	0.07692308
2	C13 H27 O7 N1	310.18604	310.18665	0.013626642	310.18604	2051	0	1972	2063	8885	0	0	0	5553	13961	3748	0	4573	30530	0	0	0	3206	2382	0	0	0	0	0	1293	0	0	32774	0	0	0	0	0	0	2191	0	0	0	0	0	0	14173	0	0	0	0	0	0	0	0	2294	2291	8492	0	5054	1544	13997	0	0	0	0	0	1373	2990	11433	7070	35823	0	0	0	0	0	0	0	0	0	0	0	0	13425	0	0	0	0	5566	10260	0	933	1358	0	16236	9550	1126	7952	14883	0	2076	2475	955	0	650	0	0	0	1356	0	4053	0	0	2041	Lipid	0.53846157	2.0769231	0.07692308
4	C13 H27 O7 N1	310.18604	310.18658	0.029612808	310.18604	2819	2187	2008	1965	1450	3178	1296	1304	3980	0	0	948	1888	3098	2240	5053	3068	1536	1654	0	0	0	3222	5084	6981	0	1401	0	0	0	0	0	0	0	0	0	0	2002	3417	0	0	7176	0	0	0	0	0	0	0	0	1889	1983	3638	0	24741	0	22177	2074	0	0	0	0	710	13494	30699	8109	21498	0	0	0	0	0	0	0	0	0	0	688	15878	3987	5036	681	0	0	9191	5235	16280	1149	1525	9562	0	0	9338	0	0	0	1811	2225	3577	4758	4904	0	954	0	5720	2237	4967	0	8568	0	Lipid	0.53846157	2.0769231	0.07692308
6	C13 H27 O7 N1	310.18604	310.18674	0.17804223	310.1861	0	0	863	0	0	0	0	0	0	0	3356	0	0	2815	0	0	0	0	0	0	0	0	0	0	0	0	0	6918	0	0	0	0	0	0	0	0	0	0	0	0	0	1010	0	0	0	0	0	0	0	0	0	0	0	0	0	0	490	0	6650	0	0	1822	0	0	0	0	1713	0	0	0	0	0	0	0	0	0	0	0	0	36882	0	0	0	0	0	0	0	0	560	0	0	0	0	5311	2803	0	0	0	0	0	0	0	0	0	101559	0	0	0	0	0	Lipid	0.53846157	2.0769231	0.07692308
0	C13 H27 O7 N1	310.18604	310.18665	-0.08767497	310.186	0	0	0	0	3048	0	0	0	815	4228	8405	0	2455	0	0	0	0	2188	1573	0	890	0	0	0	0	0	0	38754	1466	0	0	0	1626	0	8944	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2315	0	875	0	0	0	0	0	0	0	2928	0	4963	1331	3814	0	0	0	0	0	0	0	0	0	0	0	0	30709	0	0	0	0	2093	0	0	0	0	0	5309	5276	0	12508	0	0	0	0	573	0	0	0	0	0	0	0	2650	0	0	4790	Lipid	0.53846157	2.0769231	0.07692308
12	C13 H27 O7 N1	310.18604	310.1866	0.15583798	310.18607	0	0	0	0	0	1130	0	0	0	0	0	0	2951	810	1119	0	0	0	0	2581	2258	0	0	0	1850	1353	0	0	1447	1109	0	0	0	0	0	0	0	0	0	3286	0	1083	2849	1843	3916	2029	5246	2235	0	0	0	0	1160	3873	1393	1291	2069	0	10022	0	0	5020	1703	0	63054	2381	2331	0	0	0	0	0	0	0	0	0	0	0	0	0	879	738	0	0	4850	29413	0	0	0	0	0	0	0	0	0	1387	0	0	0	1317	2530	0	0	0	427746	0	0	1910	0	1787	Lipid	0.53846157	2.0769231	0.07692308
16	C15 H28 O4 N1 Na1	310.19888	310.19922	-0.6825395	310.19867	0	1864	0	0	0	0	0	2473	0	9721	5254	0	0	0	0	0	0	0	0	0	0	0	0	1525	0	0	0	0	0	1472	0	0	1979	0	0	1485	0	0	0	0	0	1229	1746	1120	705	1999	2641	884	1994	1807	1642	0	0	2918	0	0	1623	0	38467	2473	0	3173	0	0	0	0	0	1514	0	0	0	0	0	2991	0	0	1183	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	990	1786	0	0	0	0	0	0	12731	43445	0	0	1156	0	0	Lipid	0.26666668	1.8666667	0.06666667
18	C17 H27 O4 N1	310.2013	310.20166	0.09365139	310.20132	64727	72337	69158	51325	43661	35799	51850	78694	22310	58651	55545	46314	37437	37479	45286	102396	97904	59578	69695	103784	106174	70998	48752	87313	38206	149383	56502	59306	69380	111931	55424	71121	74680	65652	54628	77403	73034	35525	91760	64198	88465	43562	1744	707	0	68069	78765	671	82436	79189	64753	61675	39829	1316	29864	30840	29192	79917	30386	61653	81852	45843	36804	27834	24558	48819	51757	110185	112186	91197	151767	59893	62302	69736	105907	62402	1064	29677	59594	86990	39372	46205	41859	52579	36033	35204	101523	66077	46160	188828	102287	98289	119247	55460	91822	720	75611	71553	31608	36412	47935	98843	34562	80472	38294	76491	38919	1445	48499	33545	Lipid	0.23529412	1.5882353	0.05882353
6	C17 H27 O4 N1	310.2013	310.2018	0.05760939	310.2013	108970	123483	108091	111713	28758	37934	81490	182111	18565	158416	53368	78704	26379	18328	86799	168347	92156	38295	53221	193331	172484	144780	83209	318929	109047	65533	82031	51842	138184	143835	158866	158789	194796	142012	205908	146161	182390	76128	128292	118837	65535	38611	730	0	0	151056	88110	0	217300	155399	120786	120227	34316	299	23991	13551	17556	189651	4206	12332	170460	51757	21920	21165	16247	34991	51613	136256	48227	174800	113536	168199	136649	158778	99142	132803	249	89576	57152	49399	52753	21197	22637	70467	14191	19685	120590	40005	55176	214723	180131	95460	209136	64301	145323	0	114069	101914	14155	13298	13941	152432	79618	157028	54228	137907	14636	0	79492	33853	Lipid	0.23529412	1.5882353	0.05882353
14	C17 H27 O4 N1	310.2013	310.20175	0.101158455	310.20132	37417	31583	27235	32939	17593	10469	27100	44027	9329	33680	20212	23307	9641	11731	28571	55163	48797	16330	30715	41666	41029	28880	28461	50320	45107	44258	27467	22217	38895	40386	31212	30699	43800	26849	41738	31561	32755	22661	54756	26694	31290	19229	0	0	279	29147	31246	0	36066	34254	36006	28909	18262	372	11437	10679	11909	50568	0	20747	38304	13307	10676	8449	10965	16831	18653	51634	33793	54858	50583	33290	28813	26946	41378	33255	314	21914	43218	35799	37913	11212	11990	20952	19097	11957	59858	18837	18213	74047	53197	34066	55229	22971	39178	0	27795	34242	10988	16556	18643	42540	24382	28558	0	40861	15324	0	48136	12666	Lipid	0.23529412	1.5882353	0.05882353
16	C17 H27 O4 N1	310.2013	310.20172	0.115232654	310.20132	42906	43538	44789	38751	26257	21967	38233	42009	20855	41491	31587	25948	20077	19947	29167	63300	78148	33900	44755	67767	72184	43244	32060	61560	32306	82115	34507	29114	41629	42550	32857	47983	46517	35590	51165	45374	43846	21994	74237	41383	52858	29688	1417	0	315	33867	56414	557	53764	39647	44558	43416	24684	1329	13813	24838	16319	52697	12289	45693	45635	22255	22445	20327	14220	32539	28692	72127	63381	73870	88375	35675	34627	37170	55509	42098	350	22868	39744	41236	28740	19440	28295	38068	30067	20050	57869	39848	28291	120603	65211	58407	60260	30912	63420	518	40642	48411	19099	26048	36975	52897	19209	50443	18728	40902	31236	389	36173	19674	Lipid	0.23529412	1.5882353	0.05882353
22	C17 H27 O4 N1	310.2013	310.20166	0.15406726	310.20132	69549	64795	61129	64226	63289	65446	82240	67556	41695	58213	44511	42930	44554	53254	46785	100715	91949	62694	62160	99113	96750	60267	50578	66222	53352	81986	83911	53514	141792	84193	51391	99366	88061	126424	46425	102831	100945	44428	83307	48071	78110	67248	9695	4691	2788	65394	82553	0	97804	62852	66815	67934	62575	5178	43290	50445	34722	84118	44045	58921	80183	37968	40623	39980	29143	77307	66937	79514	48067	63123	66248	72375	93672	69634	79278	77950	2861	45234	50798	63381	31473	40808	55881	53803	43204	37809	75240	76403	71631	92710	114991	106484	70764	56910	94438	4044	65431	71167	39482	52475	66132	110543	40800	83485	50511	65176	49318	3094	48242	44054	Lipid	0.23529412	1.5882353	0.05882353
10	C17 H27 O4 N1	310.2013	310.20175	0.10273429	310.20132	82841	83778	79852	73356	23823	24607	45539	198082	12644	84517	33310	65042	20143	15597	55226	131901	51868	25413	37525	93902	97331	187331	50475	102505	135017	51851	51072	31392	102225	127063	130741	107463	114314	76911	114419	92275	113361	45143	66218	71523	45508	24704	502	484	0	62997	52925	0	156046	161476	77152	82224	22561	330	13189	8681	11040	163999	0	22414	155110	24758	17173	17655	12109	24757	27889	78852	40757	93492	78475	133279	85263	101245	66924	95176	0	69382	42284	38174	30844	11503	7944	34260	13124	16008	70561	24434	33778	113399	124050	46656	514698	43913	83092	0	86635	80643	12071	12343	10775	99035	55580	61513	17242	337569	12938	0	53217	26850	Lipid	0.23529412	1.5882353	0.05882353
20	C17 H27 O4 N1	310.2013	310.20166	0.12993748	310.20132	86064	81797	83709	69513	63556	51977	79970	79034	37799	93484	74197	51232	52257	62004	57136	105861	113580	68217	85995	141350	135032	81722	55016	88201	55788	139515	82362	80301	124367	88569	65341	102763	96111	97968	79970	108316	101646	52723	96479	71515	101412	81272	8346	1242	1006	78590	99664	1856	93269	77048	86534	74063	64831	4207	45063	50217	39335	109459	47423	80800	100516	55169	35614	42142	35694	68277	72614	104540	107598	97606	127241	75168	84779	92693	119446	88732	1266	54233	60656	105880	42398	43377	67119	63414	50935	42672	86877	67186	72528	136425	139738	119285	109196	71768	109112	2471	75333	92137	40863	48745	72872	123120	50349	104378	63501	91746	51345	1842	67974	44114	Lipid	0.23529412	1.5882353	0.05882353
12	C17 H27 O4 N1	310.2013	310.20175	0.10432801	310.20132	31346	30175	28427	26902	19017	17926	27475	52751	13935	33755	23025	26132	11185	10692	28516	58612	50366	20943	28116	56018	60424	37180	29957	50627	31825	38525	23502	20463	44929	33592	42232	45904	54741	41230	62633	41701	43792	24307	52884	37151	24744	15690	785	0	343	38589	38384	0	61211	44062	32570	39644	15832	269	10152	11391	10285	49323	0	13007	39920	20044	12829	7554	8924	16059	21182	60111	26354	63804	56815	42972	37115	37755	35864	33081	201	31588	34751	21385	26767	11661	8578	27525	15298	9345	49904	19699	22310	79053	54374	31637	61266	27277	39629	0	33220	31572	10865	12163	12679	35391	25191	28222	0	44938	11476	0	38443	17144	Lipid	0.23529412	1.5882353	0.05882353
8	C17 H27 O4 N1	310.2013	310.20178	0.07307128	310.2013	76953	78182	63946	73144	22840	28156	54842	98185	19344	107965	42127	50517	24144	17285	49972	99114	67020	27518	49936	138469	120406	92886	47100	85253	49452	55344	65851	39521	79479	77659	81975	103112	96039	73682	155235	79900	113027	47093	76515	86954	49265	25669	482	0	250	75405	56509	315	115448	76316	64853	75861	27538	263	20781	9790	17363	102525	2606	12528	98052	28729	20738	22511	15335	28027	31558	81816	44075	130968	93906	86443	78906	81699	66081	82035	0	57165	58997	44090	36526	15015	13507	54121	11572	13547	171491	30453	35087	155103	160145	67765	133242	53124	94553	341	75767	72722	14387	11365	13749	97628	47788	81906	22741	70959	14159	0	54855	26866	Lipid	0.23529412	1.5882353	0.05882353
4	C17 H27 O4 N1	310.2013	310.20184	0.048224512	310.2013	114272	125126	118971	110717	19495	50264	85051	201833	14965	117907	44779	88990	24527	20663	77646	195199	133394	31146	46844	164398	145832	172355	79117	175841	109019	51483	91140	37312	135221	138476	158880	176505	182799	140730	159903	165146	167583	75621	157094	116605	81622	36718	0	0	0	100512	89607	0	204214	178396	123565	99975	28214	253	24498	9527	19602	198773	7540	12308	171390	52362	16082	19079	15178	31254	35567	167306	37671	98709	72720	171612	148044	175919	152602	141847	246	99894	95955	69162	77033	26082	36319	68429	16955	16693	192880	38421	50137	363010	217737	120584	228506	85178	173825	626	109993	132498	14394	16092	13875	161339	79691	179531	43845	128132	12463	293	126476	21816	Lipid	0.23529412	1.5882353	0.05882353
8	C16 H27 O3 N3	310.21252	310.213	0.07834405	310.21255	4847	6618	4773	6032	4756	5558	3101	7727	2158	6881	3327	1814	2565	3590	3231	8265	6817	6429	4027	14126	14489	4287	3001	6496	3824	37629	3486	4406	5847	3698	3911	4464	6101	6154	7297	4519	5359	3075	5052	12639	2635	1637	0	0	0	5515	11036	0	6400	4651	6346	7242	3498	0	2818	1039	1124	8318	0	0	8183	5703	1847	1700	0	5832	3242	6491	22228	28706	44350	6430	3269	4957	2683	3500	0	2617	3787	4030	2001	784	0	12441	1531	0	4888	5999	2730	9514	12115	0	10173	4473	8244	0	5691	5243	854	773	0	6598	2728	2854	0	6722	0	0	3991	1408	Peptide	0.1875	1.6875	0.1875
6	C16 H27 O3 N3	310.21252	310.21304	0.08463792	310.21255	5894	6475	4640	3868	5806	3522	4339	5276	9806	4169	2321	3170	2309	4636	4313	7947	5829	2356	5787	5623	4451	5377	3934	7740	5217	3186	3702	2824	3070	3055	3807	4781	4612	3182	4196	2831	7220	4968	6820	4255	3968	3090	0	0	0	3519	6502	0	5028	3549	6489	5323	5640	0	23696	6372	4514	8687	0	0	5656	2757	2602	17426	3892	3689	3599	7650	0	4185	4604	3386	2342	3148	5441	4172	0	3152	7772	8634	5321	977	879	5517	3722	3146	7924	2519	2171	15610	10252	2714	16881	5422	5893	0	5911	6414	0	5701	3218	6009	3050	3077	0	6213	13329	0	7321	2328	Peptide	0.1875	1.6875	0.1875
24	C16 H32 O3 N1 Na1	310.23526	310.23535	0.3125889	310.23535	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4870	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2334	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13601	0	0	0	0	0	0	0	0	0	0	921	0	0	0	0	0	1285	4140	1150	0	207563	0	1028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1937	0	16259	0	Lipid	0.1875	2.0	0.0625
20	C18 H31 O3 N1	310.23767	310.23804	0.1085678	310.2377	37461	37512	31667	36714	13198	128900	4162	13403	1312	129687	1729	2716	24612	38832	1924	93303	22565	34360	9270	10145	29781	11558	1331	9523	0	1397	5632	2268	10311	75443	17579	70376	119661	16953	51976	44833	23127	0	13710	38734	50846	116418	11192	3405	1278	82636	117345	1146	238804	340546	40495	41299	2834	69823	0	2861	4586	22448	0	474614	31151	0	79538	0	0	134745	5675	69100	3454	4256	15761	16883	6020	11983	43479	117803	3308	1287	2799	4753	1243	0	0	0	0	1249	4975	106602	7017	52136	119560	5463	102420	3542	316612	5846	39776	43395	4743	0	4637	8779	1610	4503	0	6185	2610	737	1479	320095	Lipid	0.16666667	1.7222222	0.055555556
24	C18 H31 O3 N1	310.23767	310.23804	0.12927625	310.2377	72000	79098	72722	76045	28601	193655	10186	65818	11678	234449	20036	15028	41664	56534	14146	478998	114973	53699	22929	41233	62357	20672	10846	24529	9549	22948	7474	20662	28434	400981	42319	175450	177441	40741	60227	116242	47184	15091	32179	63609	146061	240665	19530	4872	6415	127028	368649	2816	397842	1478673	69953	79783	15460	63523	8283	9885	20873	42424	9261	664681	103859	11811	91965	4871	10992	154689	21533	250470	22439	12823	39184	74746	15116	60125	144788	284805	38019	9386	6165	38819	4555	13916	8846	12620	6459	9187	24013	266782	19683	70760	129628	29240	209882	18067	565099	5955	81646	94026	25879	5099	8998	38296	13075	27377	23536	11752	7461	2225	9931	373415	Lipid	0.16666667	1.7222222	0.055555556
8	C18 H31 O3 N1	310.23767	310.23816	0.106739394	310.2377	18120	14803	14349	14144	1149	2837	12393	78116	1343	11170	7534	26733	1229	1813	12080	45303	18771	3251	4907	15506	10102	9225	8679	18530	17133	2998	20395	10596	27529	50603	36833	24050	18574	22018	14788	24593	28385	9515	20237	6766	1150	5587	0	0	0	7967	6657	0	30821	89180	13857	15093	3570	0	0	0	2199	28570	0	0	22284	3144	0	1357	3086	2278	4858	27699	0	5327	5017	50406	31858	43567	29989	39643	0	22189	11776	5628	7677	535	0	6641	880	0	22305	6416	5752	35526	29701	0	52357	6603	13316	0	10227	14906	1347	0	0	25800	15357	12633	0	19488	0	0	13245	0	Lipid	0.16666667	1.7222222	0.055555556
14	C18 H31 O3 N1	310.23767	310.2381	0.16498253	310.23773	2837	4118	2113	2018	0	1298	2625	1467	0	0	1773	1991	0	0	1497	6488	2738	1487	0	0	1579	0	2490	0	9357	0	5078	0	2072	3616	2701	0	5019	4295	2654	3106	4348	1729	3618	1962	0	0	0	0	0	2077	0	0	3905	2988	3667	2773	0	725	0	0	0	6603	0	0	0	0	0	0	0	1556	0	4828	0	2829	2693	3569	3672	3786	2272	4100	216	4057	2914	0	1152	0	0	2410	0	0	26701	0	1030	12976	32030	0	6172	0	5909	0	3373	1842	0	0	0	3414	1437	0	0	1896	0	0	2392	0	Lipid	0.16666667	1.7222222	0.055555556
22	C18 H31 O3 N1	310.23767	310.23807	0.16190828	310.23773	78617	81333	74694	73678	36747	250190	5614	36099	2832	267392	4662	3087	48848	72524	4140	168366	57163	64709	25688	27159	65476	13282	4200	21736	4384	12946	5164	8681	36176	202302	39698	149873	258362	43268	78259	102954	59139	4779	27584	72690	105911	228831	30785	3487	2430	168086	313469	0	498589	814914	76482	77078	8960	112086	2591	2999	4891	55289	3040	1082429	73129	2599	176276	2522	3933	268752	15910	159223	10193	12172	35858	45693	10937	28998	70427	377404	4971	2617	6552	12722	2447	4639	2328	4558	2060	4252	15339	231071	16153	80328	150634	12429	226852	6445	563312	8836	68750	84304	9333	1766	1679	31585	5355	11181	8588	12092	2015	2830	4623	652287	Lipid	0.16666667	1.7222222	0.055555556
6	C18 H31 O3 N1	310.23767	310.2382	0.15132554	310.23773	6932	7221	8779	9302	894	1201	7457	17565	881	6332	1928	7525	0	811	5236	15015	10665	1220	3113	6875	6605	7653	5887	14420	7315	1459	8182	2224	10739	13952	10089	12965	12386	11549	6231	12363	11108	5623	11452	5606	1658	4095	0	0	0	3564	3338	0	17344	17968	8678	7224	2145	0	0	0	1922	17320	0	0	15520	2670	0	0	0	0	2779	13457	0	4000	2785	12959	11450	10408	12749	10188	0	6234	6013	4470	4787	0	558	4133	0	1037	11765	3150	5346	27151	13783	1741	21723	4454	7658	0	8680	8722	681	0	0	10110	6404	8987	0	10100	527	0	7025	0	Lipid	0.16666667	1.7222222	0.055555556
10	C18 H31 O3 N1	310.23767	310.23816	0.13751549	310.2377	37880	32238	35687	26503	1974	4930	78351	279900	1577	7798	15837	156967	1250	2223	16475	141684	20296	2348	8119	16781	12043	8339	9249	38908	13520	3641	99107	8223	85862	208572	192938	90862	50835	33814	13894	86923	40035	18115	18199	3735	0	6684	0	0	0	9051	4739	0	181224	259329	37786	43518	2172	0	1860	0	4350	111518	0	0	138586	1690	0	6277	9000	2082	8961	22572	0	13472	4361	110645	42357	154315	46561	100414	0	192960	5541	0	7016	0	0	3348	1177	1733	18474	4339	14872	24795	27605	0	27225	3731	7784	0	38803	36228	0	931	1014	39357	190394	9558	0	16197	1450	0	11249	0	Lipid	0.16666667	1.7222222	0.055555556
12	C18 H31 O3 N1	310.23767	310.2381	0.100329064	310.2377	7032	5259	3570	5324	2140	1621	28017	10673	0	4362	0	5838	0	787	3026	15735	12853	0	2193	6070	3422	0	2828	7630	3270	2057	64887	0	7061	10280	8978	9236	14144	6516	4894	6270	12028	2182	8998	3695	0	1323	0	0	0	4028	0	0	10322	9295	6888	4539	0	240	0	0	1100	17738	0	0	0	0	0	1141	1468	0	1134	12506	0	5835	3735	13197	8284	11928	8416	9564	0	7869	2776	0	2045	0	0	2858	0	0	6665	1091	2342	22775	19491	0	14762	3244	6586	0	5033	5193	0	0	0	11231	7118	3697	0	9047	976	0	3819	1480	Lipid	0.16666667	1.7222222	0.055555556
16	C19 H35 O2 N1	310.27405	310.27454	-0.001826324	310.27405	3936	0	1628	2398	0	0	0	21933	0	0	0	1498	0	0	4850	7433	0	0	0	0	0	0	30221	354462	12377	0	0	0	0	3261	1420	0	0	0	0	0	0	2972	0	0	0	0	0	0	0	5805	0	0	0	108452	1915	0	0	0	0	0	0	2374	0	0	26548	0	0	0	0	0	0	0	0	0	0	48605	1748	0	0	0	0	1893	0	0	13543	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3176	2240	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.10526316	1.8421053	0.05263158
10	C19 H35 O2 N1	310.27405	310.27448	0.18997632	310.2741	1274	1318	0	0	0	0	1130	4116	0	0	0	0	0	0	0	2815	0	0	0	0	0	0	3057	90631	1261	0	0	0	1014	1170	1085	0	0	0	0	0	0	706	0	0	0	0	0	0	0	5622	0	0	0	6405	0	0	0	0	0	0	0	2335	0	0	0	0	0	0	0	0	0	1623	0	0	0	5447	0	1341	0	0	0	966	0	0	1921	0	0	0	0	0	0	0	0	0	3309	0	0	0	0	0	0	0	0	0	0	0	941	0	0	0	0	0	1428	0	Lipid	0.10526316	1.8421053	0.05263158
12	C13 H10 O9	311.03976	311.04025	0.26358438	311.03983	8814	8727	6962	6597	30349	10624	0	2006	29458	0	2898	5152	45010	12588	1754	1918	3797	32526	30705	0	1574	0	5178	0	0	0	0	0	0	0	1738	0	4502	0	0	2049	3906	3344	3955	0	0	11229	729	0	0	0	0	498	1195	0	7479	9059	20407	0	25951	24426	10625	2948	0	0	0	0	60707	33292	10713	41770	12385	0	0	0	0	0	0	1194	2677	1414	0	3346	7191	0	7150	0	0	0	35006	10230	5508	11120	14535	0	0	0	2908	0	0	0	6331	8869	18731	34648	29113	7806	3778	0	0	3918	15788	0	0	56046	Phytochemical	0.6923077	0.7692308	0.0
8	C13 H10 O9	311.03976	311.04025	0.19839405	311.03983	2749	2285	0	1879	13779	4743	0	0	12863	0	0	783	23576	3959	636	0	0	8313	11854	0	0	0	1103	0	0	0	0	0	0	0	0	0	1354	0	0	0	0	0	1002	0	0	3472	0	0	0	0	0	0	0	0	1739	1610	5537	0	8867	14160	5374	0	0	0	0	0	30102	14061	1638	17070	3728	0	0	0	0	0	0	0	0	0	0	796	1486	0	984	0	0	0	13111	0	818	4684	4007	0	0	0	0	0	0	0	2812	2268	10535	19451	16485	0	722	0	0	0	9081	0	0	27930	Phytochemical	0.6923077	0.7692308	0.0
14	C13 H10 O9	311.03976	311.04022	0.26469722	311.03986	4721	4015	5894	6465	25478	12549	0	0	18928	0	0	4410	39902	20181	3845	0	0	28295	19327	0	0	0	8193	0	1478	0	1844	0	0	0	1105	0	4022	0	0	0	3099	3371	0	0	0	9146	0	0	335	0	0	509	2327	0	3137	6774	15462	0	17567	19880	11656	1937	0	0	0	0	52459	26716	10040	34632	8662	2241	0	0	0	0	0	0	1556	1468	230	2738	4963	0	3063	1259	0	0	25855	8899	7237	9655	11954	0	0	0	0	0	0	466	4172	4582	14039	29413	29358	2332	4815	0	0	1568	13762	0	0	54485	Phytochemical	0.6923077	0.7692308	0.0
16	C13 H10 O9	311.03976	311.04022	0.2686827	311.03986	2533	0	3600	1726	20675	8798	0	1543	16459	0	0	3167	30163	10970	2066	0	1695	20136	19085	0	0	4053	3679	0	0	0	0	0	0	0	1704	0	3742	0	0	0	2641	2449	0	0	0	3958	620	348	541	0	0	935	0	0	2444	2400	11757	290	13651	13693	6769	0	0	0	0	0	34543	24602	5175	23048	7411	1913	0	0	0	0	0	0	0	1258	433	0	5970	0	4253	0	0	0	19671	5341	1699	7741	6973	0	0	1930	0	3232	0	0	2068	3645	8247	20829	16636	1834	2433	0	0	0	8561	336	0	29367	Phytochemical	0.6923077	0.7692308	0.0
10	C13 H10 O9	311.03976	311.04028	0.27923462	311.03986	5159	3753	3040	4104	25281	7532	0	0	20174	0	0	1432	38845	6731	1190	0	1230	17752	18141	0	1809	1735	3254	0	0	0	1159	0	0	0	0	0	1705	0	0	0	1365	1455	0	0	0	3096	0	0	0	0	0	0	0	0	3356	4307	11632	0	18657	20325	6684	0	0	0	0	0	44489	26586	5605	28003	4724	0	0	0	0	0	0	0	0	0	0	972	3933	0	3259	0	0	0	21945	3611	1348	8799	6251	0	0	0	0	2510	0	0	5068	4432	13452	32476	27247	2239	0	0	0	1694	12207	0	0	46593	Phytochemical	0.6923077	0.7692308	0.0
18	C13 H10 O9	311.03976	311.04016	0.2919086	311.03986	2295	1723	1550	0	14250	5836	0	0	7959	0	0	1836	23127	7267	1388	1493	0	12021	7530	0	0	2221	3140	0	0	0	1081	0	0	0	0	0	0	0	0	0	0	0	0	0	1663	0	657	332	684	0	1398	1403	0	0	2408	1805	8349	0	9713	9002	3672	1597	0	1208	0	0	15854	11509	4306	20357	4736	0	0	0	0	0	0	0	0	0	805	0	3928	0	4031	0	0	0	14820	3766	4373	2335	2965	0	0	2527	0	1876	1995	661	2420	2196	5817	15553	15005	0	1229	0	0	0	8570	634	0	13864	Phytochemical	0.6923077	0.7692308	0.0
14	C17 H10 O6	311.05502	311.05548	0.26016703	311.05508	4452	6222	4831	6922	6169	2701	4344	1817	6267	18887	11062	1713	12453	3843	2286	8944	0	9947	14276	4504	9776	13876	4244	3060	3928	2607	1083	0	1504	0	3905	0	1990	1303	23809	0	3883	3970	3315	5180	6050	4193	0	0	252	5801	0	0	2873	0	4443	7114	5861	0	8762	6540	5757	1854	0	0	0	4651	10313	7528	3442	9898	3674	1949	0	5498	4644	0	0	0	2018	1640	0	2420	10104	0	4756	5472	2108	2983	7961	4424	8198	4898	4895	9976	3901	0	4745	12932	16289	0	4082	8371	7338	10488	8409	4303	2153	0	0	4496	4173	0	3725	9373	Phytochemical	0.3529412	0.5882353	0.0
16	C17 H10 O6	311.05502	311.05548	0.25392377	311.05508	10462	11676	8431	7597	16506	10416	3846	3367	13448	18978	11508	6909	15978	12293	5308	6336	6294	17736	17057	7352	9227	20340	9245	7047	4225	5925	2461	8513	2929	2597	1831	3109	7150	1863	25323	2864	4705	7621	7069	7748	9640	5875	542	0	317	6705	8331	547	5964	2346	7996	8137	9957	0	11834	9368	9237	5413	5531	5807	6221	5266	16575	10946	7558	15853	9632	3777	2747	5556	7737	2978	2830	0	2202	3222	0	3675	16082	18868	16027	5619	3229	5037	14329	8980	15875	11809	10235	0	4946	7017	0	20724	21753	668	12309	13271	13457	10332	9696	5710	4856	4293	6457	0	7352	0	6100	17060	Phytochemical	0.3529412	0.5882353	0.0
18	C17 H10 O6	311.05502	311.05545	0.24693182	311.05508	9312	12024	9222	8302	11201	6553	7488	6978	12046	16662	9112	5463	21223	12205	4334	9095	6883	29043	28872	9811	9641	20410	8809	7855	6178	4805	7323	6418	5215	3293	3101	3497	8258	4253	17643	4911	8678	5178	9388	4462	10123	12960	1031	319	0	9564	8479	562	3040	3225	9655	6934	15471	329	11455	9013	10532	12869	2406	4267	5885	8345	18089	13196	10894	19943	20513	8313	5736	3980	5248	3650	1641	0	4450	5717	350	4925	15760	15779	10236	7432	3195	3511	13192	14945	14018	15425	14151	16445	10480	6617	7743	19333	27547	712	13082	9334	12741	13298	11191	5848	3578	5775	4539	9331	9304	353	9463	15981	Phytochemical	0.3529412	0.5882353	0.0
18	C14 H14 O6 S1	311.05838	311.05884	0.32142136	311.05847	10909	8797	11653	13221	22279	16225	2788	1749	14041	26625	16190	2537	31325	10797	3450	3052	4163	32576	18748	9540	15665	30633	1660	5190	5818	10911	2566	11996	3979	0	3400	2798	3548	0	28763	3389	6598	2777	4530	22797	20148	7141	509	0	0	4310	5874	0	4115	1520	10245	11957	13003	0	12411	11815	8701	4610	8203	4417	3962	13260	11392	13667	5674	18260	11501	3648	11425	17479	11491	1412	0	1432	2790	0	0	1813	2896	22814	3068	6551	7856	16380	15332	8026	8083	11809	12349	4332	27106	38536	7195	25974	42535	0	7869	9616	9651	10724	8771	7390	2879	12023	8750	3156	10806	0	5260	16796	Organosulfur	0.42857143	1.0	0.0
4	C14 H14 O8	311.07614	311.07675	0.23113687	311.0762	13687	12363	10570	12643	28359	12035	3957	5153	33183	11469	12545	6469	45205	11311	6003	7847	9551	29243	29686	7641	12118	13563	10347	8417	2531	4078	4464	4908	3894	4001	5322	5093	8794	3876	14126	4323	8508	5441	7739	5677	10212	13578	1003	865	1269	6402	6405	1225	4989	5540	11782	10149	16982	1302	33164	40280	13137	9359	5073	5824	8210	4585	51552	34684	14267	31815	11264	8707	10965	5148	8901	5107	4781	3689	3303	5293	836	5533	11373	0	10493	3701	3027	2582	40132	13529	10144	13414	14449	10057	3339	5677	9630	7891	7002	2303	10595	14828	30132	62507	47740	8609	5578	6338	5604	6510	27035	946	4324	56187	Phytochemical	0.5714286	1.0	0.0
22	C14 H14 O8	311.07614	311.07654	0.230679	311.0762	6134	5750	6525	5844	17917	7682	3285	2927	18730	7020	1996	5720	20228	9660	6890	3509	4159	18890	16752	2484	5390	8240	10405	4418	3627	1706	2430	2087	5528	3204	5213	3663	7347	3557	7111	4053	7468	5838	3022	3890	3593	5736	0	3740	3050	7614	15251	3129	4558	2900	7390	6128	8630	2855	18635	14893	8990	6443	4288	3918	3869	4506	19285	13822	4194	20307	6490	5227	1923	1835	2079	3696	4173	3123	3570	4058	2653	5048	7236	5157	7989	7925	3277	2467	22306	9206	7013	6154	7391	4382	4915	5021	5657	5884	5194	2951	4843	7327	7791	15071	13301	6489	6106	1920	6297	3275	8682	0	4308	24230	Phytochemical	0.5714286	1.0	0.0
4	C13 H14 O7 N2	311.08737	311.088	0.20785707	311.08743	13450	15347	11886	15131	16971	9475	3609	9596	22401	5892	11019	9072	29882	6545	7928	13757	15056	26830	20827	7235	11767	17319	10741	12564	2836	1199	7205	0	6029	6445	9528	7307	11266	5927	11848	6222	11430	7766	18773	7976	15974	14811	0	0	0	6592	11447	0	7788	7977	12535	10920	13712	264	24335	21318	11103	9199	7415	11330	11669	7665	42435	29493	17314	24311	12079	18609	4562	2396	4954	6910	7182	5775	4476	6336	0	5708	9225	0	8898	4127	3593	2795	23520	11181	8716	18321	15866	20787	2804	5334	25111	8244	6994	0	10106	13246	18882	25550	22552	12649	8882	10000	5870	11610	15179	0	5379	47705	Peptide	0.53846157	1.0769231	0.15384616
2	C13 H14 O7 N2	311.08737	311.088	0.19751872	311.08743	4636	4196	2887	3834	11773	0	2468	2987	10837	2485	2877	4662	18542	3483	4091	807	2995	10170	11138	2580	6028	6297	4749	3390	1030	618	0	1041	4196	1243	4566	2869	7529	3034	5093	3984	5139	2901	2538	3651	3767	5421	0	0	0	1823	2403	0	3225	2295	4072	4071	7369	0	13227	7038	4440	3826	1686	2296	1318	1609	29564	15184	4683	15377	7400	3960	881	1519	1725	2414	3269	1823	574	2712	0	2644	3937	0	3087	1172	1271	805	8408	4049	3217	8522	5801	6683	2788	2121	8944	3259	764	0	4104	3461	6391	8898	7079	3775	3972	2216	1650	5868	6439	0	2421	26328	Peptide	0.53846157	1.0769231	0.15384616
22	C18 H14 O5	311.0914	311.0918	0.23374362	311.09146	31972	33907	20604	29635	34251	20365	14582	13757	30665	60099	67064	10045	32129	26523	16609	19975	22476	44248	45871	41170	50310	55116	25772	25965	20430	80934	14288	56759	13132	16113	12802	12203	21772	16505	66361	14927	16047	13926	21655	44620	63573	23310	5841	0	1824	34851	49928	2985	15721	14338	33745	29814	29797	3555	24954	30531	24351	26800	18022	27590	22606	31124	38157	28575	21331	42234	32829	23305	61423	65929	80259	13742	9435	5922	9199	19757	1481	15949	38038	50661	28116	32585	17071	38686	44694	27335	38732	26292	28805	30968	30793	25807	25515	72040	64957	4921	25167	33234	27431	35158	39539	23618	14489	19541	28084	21299	31703	2865	22839	33159	Phytochemical	0.2777778	0.7777778	0.0
10	C18 H14 O5	311.0914	311.09192	0.25679162	311.0915	9277	9275	7852	8048	5295	2951	3941	7384	8265	12851	8512	5340	4958	4439	7184	9005	6717	9188	9933	10462	10485	12291	8262	11199	5065	14483	6714	7643	5095	6303	6518	6900	7543	5952	17496	5851	6121	6629	10348	10172	13019	4327	1046	602	1074	8560	13255	1408	6666	4556	6995	7081	5955	763	10076	5749	5071	9718	4967	9791	11554	5560	5432	5246	4902	6349	5377	7808	12840	15844	23492	6535	6700	5802	5330	7559	816	5028	10950	5254	10524	9784	5890	4898	6890	4586	9019	4135	5585	14545	9005	6150	10146	8420	12409	1668	8859	7979	4741	8694	7314	6682	6818	9299	0	6541	6128	832	8389	4991	Phytochemical	0.2777778	0.7777778	0.0
16	C18 H14 O5	311.0914	311.09186	0.23239458	311.09146	50305	52545	40630	44261	43298	26140	25019	30140	36831	98165	80120	22269	41407	33216	31022	36525	30113	52495	54986	76153	85946	76101	35668	32882	28735	115397	20881	62746	18205	22004	24963	25761	31636	20091	118477	25561	30138	22081	28114	57304	76174	30954	3243	1431	1696	39564	48044	2003	28787	24543	43221	54428	37046	1278	33127	30268	27102	34035	24766	30292	37465	41244	48938	35307	21464	48364	33475	30308	107132	130252	153278	21298	23157	16312	23529	24806	1021	18449	52087	45949	33442	35547	28615	52649	48340	29916	43759	36549	39689	53360	44375	48331	53054	57590	80997	2327	41730	46341	37903	35099	39324	33138	20829	26038	27927	33732	32476	1240	33522	48639	Phytochemical	0.2777778	0.7777778	0.0
12	C18 H14 O5	311.0914	311.09192	0.2712639	311.0915	20342	20116	15199	18756	11552	7655	15103	14125	13650	31210	23695	7782	9536	9647	9431	12960	11848	17634	20112	21848	29087	25362	11721	18168	10774	29529	12422	0	8280	11667	10139	12617	14028	10704	32890	12303	10839	7620	10251	20921	27034	6962	2186	671	943	11610	20531	995	10665	10391	20282	19274	10789	787	12552	13167	9103	18337	12165	13587	19346	14566	20314	11867	7553	15552	9038	16321	27579	33613	43353	10721	9450	12620	10590	9327	652	9774	20460	16241	17081	20353	13619	9529	14740	12802	21846	8634	10840	33121	16339	13985	22235	17152	24180	1616	14082	16325	11621	14176	10623	13263	9681	12223	0	15455	8384	788	13558	15551	Phytochemical	0.2777778	0.7777778	0.0
24	C18 H14 O5	311.0914	311.0918	0.20912674	311.09146	8651	13632	11204	12309	12497	7527	3474	4783	11120	18822	20390	5821	11525	10856	8795	7100	7983	16000	18422	15959	18240	19627	9067	7412	5071	19466	4715	12758	5342	4261	4080	5261	5569	3979	20268	2675	7220	6523	6724	17244	20067	6132	2394	0	0	12292	17252	0	4954	5165	8178	10128	10800	0	11195	10337	6929	5866	6423	10684	7056	8678	13543	10983	7217	17950	11756	7779	23171	16726	30484	4808	3276	4085	2953	6898	0	3933	12075	20176	10500	14145	6129	16083	15746	9946	9568	9774	11493	10164	8432	8104	9776	22239	24650	2553	9902	11242	10215	10149	12591	6622	6655	6884	11369	6945	10513	0	6944	14404	Phytochemical	0.2777778	0.7777778	0.0
14	C12 H14 O6 N4	311.0986	311.09915	0.12827127	311.09866	1907	0	0	0	5086	2822	0	0	0	0	0	0	6557	0	0	0	0	10628	21903	0	0	0	0	0	0	0	0	0	0	0	0	0	1928	0	0	0	0	0	0	0	0	1743	0	0	0	0	0	0	0	0	0	2193	2634	0	0	3217	2032	0	0	0	0	0	2140	0	2731	2821	0	0	0	0	0	0	0	0	0	0	0	0	1484	0	1420	0	0	0	27774	4791	2119	0	2322	0	0	0	0	0	0	0	2362	0	6618	7313	7919	0	0	0	0	0	6856	0	0	2512	Peptide	0.5	1.1666666	0.33333334
18	C17 H14 O4 N2	311.10263	311.10312	0.293766	311.10272	3751	7284	3297	6917	1978	3612	6139	6284	1205	4495	10111	1973	1869	3183	2991	7858	9912	2985	5325	6792	8801	8954	2684	8753	7649	12094	5957	8262	5230	3880	4393	5721	6301	0	5319	2918	5031	5750	7859	6400	21175	3816	286	0	0	4574	13374	0	3830	3139	3950	7638	4247	0	0	1562	2896	6678	1663	11291	9330	4131	3147	1511	3276	3745	4511	12425	16058	13739	26682	4239	2166	3072	2866	0	0	2787	5971	10049	4896	8452	4493	5613	4698	2358	6575	5457	6019	14959	6981	5800	15569	8962	10709	0	5854	5667	0	0	2916	5523	3899	6060	4064	7899	2017	0	5479	0	Phytochemical	0.23529412	0.8235294	0.11764706
16	C17 H14 O4 N2	311.10263	311.10312	0.37715238	311.10275	11979	6581	8080	10328	6494	3915	5339	10087	3182	17156	19596	6701	0	3210	4085	16232	14355	4650	7347	11837	13056	11314	7798	14040	4148	26181	5446	17986	7155	2871	6820	8983	6400	8222	7806	5692	8477	4787	17112	19110	33276	7642	0	0	0	11263	15318	0	10050	5698	9295	8473	4074	0	3344	2396	4921	8186	3215	15550	8096	8689	0	2777	2735	5707	4731	20086	30446	28097	38549	7446	8494	5556	8386	6675	0	5692	10791	20248	6517	8125	5952	13221	3089	2124	7244	7517	5923	24563	14547	9039	0	16320	17771	0	9972	10455	1862	3606	4322	8602	4614	4819	7073	0	3573	0	10268	3880	Phytochemical	0.23529412	0.8235294	0.11764706
4	C15 H18 O7	311.11252	311.11316	0.21976279	311.1126	47780	99426	36102	47861	40563	29246	30000	93560	58501	74324	77668	66190	50068	75174	33251	81776	100780	60180	58176	79242	100766	61815	45215	49851	45578	50780	61628	25043	82958	36570	71560	76950	96680	54402	110902	36432	41862	33052	57010	70582	46896	43337	8397	7362	14197	92732	49423	10601	86956	86292	80414	37630	40253	9442	70949	109998	38555	49041	34648	42999	50241	50384	65344	59490	58186	97440	67564	60556	53321	35277	47463	33025	34069	77852	39148	45851	6974	32060	92036	19297	42008	33351	31845	18341	120324	73654	71764	34764	44474	47929	27714	60420	54079	57118	31605	23824	42822	54055	106298	72061	69133	98200	40515	47534	39455	43200	42805	9185	57018	59164	Phytochemical	0.46666667	1.2	0.0
12	C15 H18 O7	311.11252	311.11307	0.19406793	311.11258	2929632	3423974	3392974	3202624	3414376	2444614	1930562	2267214	4177182	5160898	1670412	1440128	4175726	808175	1984480	2747486	2088002	5151420	5168918	5156434	5376876	3532134	2428440	1135177	1493406	1840368	1804136	1359119	2521740	1949386	2007698	2425650	3262318	2199674	6187222	2027078	2954002	1956208	2417186	4072498	1857720	2334962	42793	13100	15432	2275924	1082375	15633	1343292	1968606	3265290	1621439	3027226	15265	6148076	3036762	2043940	2798830	1157728	988283	1410815	2950524	5103908	4344448	1552828	4100312	2430932	2047968	2118325	5541676	2801415	1979528	2063190	1827768	2012958	2225186	9204	1775420	2627096	1047251	2264060	979735	1966020	1281076	3112738	2099616	1253676	1988888	2466558	2360814	1274300	3208138	2505274	1316623	3523472	25745	3379166	3382734	3160764	1486330	2952278	2897782	1684516	2577632	779572	2074246	3130948	13564	1471890	5590432	Phytochemical	0.46666667	1.2	0.0
14	C15 H18 O7	311.11252	311.113	0.1832804	311.11258	3065098	3119306	1381906	3076136	1802686	1532605	894028	2184796	2406056	2368025	1352876	1543414	2980082	981437	1062612	1160379	1786172	5903882	2526147	2511325	2615640	1698925	2351868	1047334	1618840	1687542	825636	1330768	1186818	2096246	1895354	1217533	3455890	2114426	3096622	1105476	3100346	1932182	2008244	4407652	1483619	2487166	60918	13811	15358	1112757	935357	15073	2398722	1789618	2866070	1364936	3205618	16220	3424246	1726905	1014894	1342888	1235214	829497	1252404	1479785	2585066	5093236	834808	4278810	1367850	1706868	1615671	2594132	2183208	995914	1035155	1006816	846426	1094678	11242	876555	1243998	975483	1049167	803553	911939	1230420	1670754	1051587	2526816	1066985	2731560	966602	1349987	1510528	1209640	1155467	3237650	27425	1490926	1538226	1514299	1694589	1611786	1508937	851696	1467932	722639	1902182	1446799	14599	715018	5160960	Phytochemical	0.46666667	1.2	0.0
8	C15 H18 O7	311.11252	311.11316	0.18276773	311.11258	485641	544609	374980	504306	933312	317670	285416	430778	1231826	1165064	772044	311740	1356100	424922	711498	1016156	840480	1283484	1455708	1341812	676253	583009	444849	495511	414752	886722	291394	301039	368637	362091	656384	395032	461439	350352	766850	709662	463578	357031	488261	926374	545119	387397	17256	6592	10912	847028	457960	6969	450079	739776	483396	494205	829692	9343	1714596	1072528	671262	888346	722682	814158	993128	646238	1362992	680975	250336	1068184	364212	470304	592804	646344	1641554	357694	362575	641008	565954	401300	7648	289375	1174730	470744	895608	307184	668058	275715	549521	308446	1022760	323745	397584	1010182	255614	415411	1037694	378549	909910	13236	940964	515695	946674	1276390	1141372	956658	306830	1021828	235796	372488	972748	6959	283565	1424674	Phytochemical	0.46666667	1.2	0.0
6	C15 H18 O7	311.11252	311.1132	0.18429805	311.11258	192674	197833	163953	190386	157516	103731	115798	173231	222242	417914	159730	125996	213175	163818	128676	191608	314414	241537	257060	384750	503292	200581	169104	204088	76795	237132	208852	98970	141134	300070	143306	146609	187335	126314	227449	155014	167872	277698	205062	250718	369360	143788	10254	4990	9538	328858	188874	6793	176417	154773	187825	345280	150681	7695	307275	219296	130671	193913	143629	189179	193107	103862	259872	215930	88788	370920	146062	215632	389466	196890	277378	240466	266578	138858	177940	143613	7075	113640	361914	71337	164875	120283	123826	71755	426490	135698	367384	124052	298054	198149	95295	279458	200894	131552	292098	9439	336334	364346	158236	251240	261859	193539	127253	194369	134252	307146	202479	6095	100172	267134	Phytochemical	0.46666667	1.2	0.0
4	C14 H18 O6 N2	311.12375	311.12436	0.1150601	311.1238	256175	293027	257226	259511	181653	155005	110317	285223	195030	155471	166850	272981	246619	67491	183246	329071	606352	292578	303179	174452	221488	336220	242571	299318	94425	22348	141281	260319	201097	220597	242711	239291	352401	209571	232910	261476	328546	186888	694413	152131	239854	259471	3497	950	912	184204	248854	735	274231	268604	269480	224615	225829	1537	235411	308192	156670	307253	168674	255622	295756	117696	264291	231009	133766	256069	205046	587208	59423	50675	82338	203307	197884	241080	227052	232717	383	179560	178189	186519	183523	112176	110100	52407	194956	154901	170747	313548	287398	422278	194161	223466	438808	154031	141648	2280	245000	292812	172592	226151	211531	363023	227270	236935	148326	323420	208508	681	140543	337028	Peptide	0.42857143	1.2857143	0.14285715
16	C14 H18 O6 N2	311.12375	311.12424	0.2372872	311.12384	47686	34828	33857	41980	33454	29726	35429	37425	28807	15029	19728	32271	33272	14914	38701	54003	48139	39102	36386	12787	17076	51027	37284	53065	34963	2539	32781	19083	42557	26761	41197	44571	60575	44221	22595	41890	58838	35526	58553	21009	25151	31887	1488	845	1314	20401	14999	1024	47665	32435	36059	35798	37978	1224	33723	12109	22684	54417	30384	28270	56327	13207	23462	29796	17118	39323	33307	52602	6492	8691	9791	36366	35665	26907	42940	37814	819	26109	44997	21442	26908	13612	24492	11832	16014	25144	49854	39555	36854	82309	47362	48219	89360	19945	25632	1165	38926	32514	21177	12079	20340	53756	28862	29339	6642	67585	24488	931	52743	49019	Peptide	0.42857143	1.2857143	0.14285715
18	C14 H18 O6 N2	311.12375	311.1242	0.32804888	311.12387	14527	13350	11788	10102	7032	7292	11883	13576	5957	2586	3610	11274	8014	4641	12665	18921	17141	14262	13968	2308	0	9707	16779	25660	10980	1308	9107	6901	15646	11701	11074	8968	20682	16571	5649	11985	15759	8859	19750	6410	4711	10232	695	919	1210	6532	4482	849	14739	9279	7205	12223	7257	1236	7866	4075	8219	19444	5867	5186	17673	4676	5017	6468	6363	9372	10650	15140	3269	2101	2361	19390	11970	10236	11273	10720	646	10937	17775	5814	11143	2967	7761	4303	7506	5543	15750	14855	12074	27797	20368	13588	30165	5080	2374	796	9774	9506	5738	3783	5753	18993	9603	4887	3672	21713	6866	801	17080	13755	Peptide	0.42857143	1.2857143	0.14285715
2	C14 H18 O6 N2	311.12375	311.1244	0.18050565	311.1238	115313	111057	90767	102217	104954	95867	47422	92313	105432	73306	149724	102146	151038	38127	61253	31327	127694	143721	139342	49575	104993	139466	86649	73436	23444	6800	16196	172845	91827	52158	101412	80898	152870	82784	100541	71923	115000	61351	142775	60507	87610	103845	715	602	631	42765	59275	478	88164	54360	97301	104592	114964	789	112240	66793	61362	98537	51091	81118	37236	39291	177067	128941	67946	147452	113544	173229	18706	24622	33329	78030	82270	58924	23585	69524	320	59798	64701	93170	59944	32188	31768	18517	76141	51623	63833	142500	126978	173385	559857	488906	164097	117293	26663	1301	104716	107740	62004	96927	84487	83540	82623	61932	40693	122003	72870	615	48915	206516	Peptide	0.42857143	1.2857143	0.14285715
12	C14 H18 O6 N2	311.12375	311.12424	0.102775276	311.1238	263989	280674	287784	269223	158686	150566	252387	319341	167597	157361	138860	207850	165922	63546	239344	359091	337332	284996	288684	201836	181706	391507	267324	344962	218670	39895	198936	310414	308425	241581	265483	325375	389642	306032	209845	265423	358762	240232	390941	220729	264019	201732	2621	1359	812	201886	196062	1157	344400	257480	282061	266783	202628	1237	249517	88817	140440	363301	251237	209052	337302	154768	163621	178893	109231	209196	194648	392227	70806	113964	98598	250479	271867	226483	269792	253700	574	225422	259635	135139	230411	159157	196764	104966	113288	126215	272688	220174	227602	519929	286360	364175	551422	151864	178360	2184	285581	284872	114093	99930	90866	349224	212752	250173	91193	383395	138704	805	228920	280129	Peptide	0.42857143	1.2857143	0.14285715
14	C14 H18 O6 N2	311.12375	311.12424	0.15136689	311.1238	123552	105506	114240	118119	74578	81801	118310	130454	75944	65006	49585	102387	71020	33639	108380	158513	151345	121048	108325	68469	67139	164440	107100	154806	105301	15989	107830	84956	109229	117235	106192	143245	165078	133586	83785	115543	159969	114436	166912	80071	76273	92081	0	1035	978	75970	73380	1355	147255	102409	112394	115158	92029	869	89885	39281	65758	184619	89057	89031	151856	52609	61240	74291	55270	100172	84083	167856	17190	40434	35274	121733	105278	92505	118461	112396	725	98140	107373	66943	105252	50019	88130	41813	48428	60870	143401	118481	114165	241064	143177	146006	265258	61269	69204	1297	133151	97678	51413	42901	39144	157797	100958	117780	42926	161756	59089	1038	114818	104979	Peptide	0.42857143	1.2857143	0.14285715
0	C14 H18 O6 N2	311.12375	311.12442	0.05082258	311.12378	14415	12223	13652	13150	14934	18467	3002	18798	12924	7365	18993	7200	19658	7084	6086	2754	5970	23705	17699	7523	16272	18930	8847	15062	5747	1530	0	39982	18154	7997	14479	16653	26101	11785	13267	17154	20252	4955	10139	11402	5710	19892	0	545	555	10128	4606	0	21605	11751	14390	13779	16968	707	15581	10130	4724	20419	5293	4009	5547	2689	25669	18052	9336	17096	19771	10452	2046	3870	2320	13708	21901	13791	0	16561	641	8308	5361	19862	4391	2910	3799	1799	6767	5521	5516	12919	20747	9031	94147	44211	25483	17296	1833	438	15446	13026	6255	8734	8022	16080	5083	11680	2806	21331	7819	611	5221	41457	Peptide	0.42857143	1.2857143	0.14285715
6	C14 H18 O6 N2	311.12375	311.1243	0.08788886	311.12378	546004	589081	527891	555015	322787	302973	346952	692943	424894	406999	327352	459168	434537	123154	456601	744509	675229	651371	681088	424585	539969	692541	499488	712521	258971	48409	345775	213410	583204	531421	599289	632767	846093	599055	530218	605363	828866	464395	943935	346283	554974	440431	2844	587	802	480219	589107	576	708030	573308	587862	573094	428365	1263	546603	249788	282639	684940	429089	576854	692182	295721	461085	414930	228233	470573	460445	986059	118849	180125	215464	552936	568669	549877	381013	527390	447	375985	378367	195608	359036	300657	319628	171138	264970	289930	416102	527526	573164	862913	389185	592299	946007	347785	375183	1564	548364	513781	218695	231836	270490	814413	452987	609697	308579	757681	281760	613	334539	719908	Peptide	0.42857143	1.2857143	0.14285715
10	C19 H18 O4	311.12778	311.12823	0.05166403	311.1278	23421	17527	16298	17284	9682	10663	15928	26327	11466	16504	11893	13006	10954	6573	16086	23163	22019	13825	15913	22552	19734	24267	17009	23623	16525	23123	18039	9228	19277	18693	18585	17592	22649	13180	23288	17970	17532	16689	23437	19790	17428	10630	1963	786	1692	17604	23402	1339	23171	18655	19189	17212	11219	1066	13595	13096	8899	24465	14804	22639	19415	10992	11066	11528	8692	13863	7692	23532	21765	24244	26708	13852	19807	18978	21404	21078	1464	11032	24658	11022	24286	17404	15155	11984	14855	9372	18210	10015	11815	29048	19990	16492	26252	12848	17470	1940	15207	18088	13783	15032	12958	18457	18362	16103	0	18401	9514	770	18248	12899	Phytochemical	0.21052632	0.94736844	0.0
14	C19 H18 O4	311.12778	311.12823	0.1628011	311.12784	83484	80127	65376	68423	41648	33067	73531	71945	50038	67288	59415	52159	39969	28288	59119	97063	80597	46548	55837	87128	76567	87351	63527	100703	74694	123016	71194	57084	59880	67641	62182	68306	82544	55166	91084	62991	59750	50209	78033	68739	101541	43900	3344	1838	1762	68226	76177	2844	73770	72932	68100	67068	44653	1881	42393	38889	40022	112047	56887	79210	78303	48529	48021	44611	27467	45615	45369	86776	103131	120875	154009	50461	53081	61567	63746	73671	1319	46973	90309	45569	92836	59120	62809	55833	57402	41367	85299	43716	44786	238512	69028	59281	136369	53172	59515	3333	75243	66234	44756	66634	51471	62222	58038	76069	42981	96417	39690	1532	86764	40320	Phytochemical	0.21052632	0.94736844	0.0
16	C19 H18 O4	311.12778	311.12823	0.19667482	311.12784	119905	123712	96930	101576	87696	52021	82234	118879	66616	121597	95659	71250	81966	55400	89037	144329	110856	85775	119506	146396	132720	121604	98887	138215	84187	228606	79255	84750	91355	86501	103361	112961	101459	77957	159554	97584	97855	80620	113351	115751	148441	59068	4937	2223	2432	97016	106948	3399	120543	107667	117606	115773	74876	2143	67589	69382	63109	150621	71322	79947	127086	74099	89138	61789	51803	84671	71885	110367	206722	244938	317098	84466	88524	86054	91419	98160	2076	78107	119805	88894	101359	84419	81804	96300	93962	58705	117319	74516	73797	205642	96191	93518	203893	75568	108410	4385	102997	104782	69434	81008	86734	104982	71475	99430	51944	137093	74492	2136	121538	88319	Phytochemical	0.21052632	0.94736844	0.0
28	C19 H18 O4	311.12778	311.12817	0.16816862	311.12784	8321	7764	6373	8047	10405	5459	3825	7001	6723	8139	6585	4399	7003	6877	6617	9508	5549	7638	7662	10477	9017	8371	9128	11508	5081	15232	5053	7645	6172	7951	6488	6582	7351	5607	11455	7656	4985	4600	7344	10069	8938	5621	2738	1787	0	7867	8229	2621	6304	6859	8615	6393	6732	0	6518	8110	4225	9643	4258	4468	10986	4091	6431	4349	3035	9698	8456	7231	12722	14848	20592	5679	5757	6714	6607	6265	3412	4379	6087	8397	8416	4683	4012	5338	9059	4828	6694	5513	6373	8330	5283	6710	11904	6890	7414	2333	7664	7453	6293	7498	9066	7786	4357	10084	3764	9572	4910	1275	4460	6266	Phytochemical	0.21052632	0.94736844	0.0
12	C19 H18 O4	311.12778	311.12823	0.08816885	311.1278	46989	51664	40304	47425	21140	14991	40004	41905	27251	31344	35788	24866	16639	14476	27476	53297	43110	21684	28254	49804	48555	44882	36616	57133	32881	54384	42540	30936	30705	39865	35308	39296	44997	29450	45504	44558	34690	32356	52729	39588	50525	18794	2786	1461	1600	40450	37458	2462	44068	48641	44060	41873	19422	1427	27087	21536	20781	55323	28219	39493	41146	25598	24595	18532	16300	24996	21437	47159	42181	57765	75425	29416	29953	34795	40854	41324	1074	31745	42862	17214	45199	40124	36545	24326	27504	20135	39620	16962	21194	66125	38726	43172	51050	24221	39163	2964	45328	45268	22281	29325	23617	41188	29174	34158	0	44597	18901	1655	36645	23149	Phytochemical	0.21052632	0.94736844	0.0
26	C19 H18 O4	311.12778	311.1282	0.22643432	311.12787	16298	16655	12912	12911	18789	10109	5980	13136	16555	20905	23761	11531	23790	13487	12517	16763	11594	19802	26793	21572	26437	21353	15047	23452	10538	34209	6735	17549	12791	13915	17170	12416	13962	12556	25084	15515	17477	8959	10937	18964	28669	13979	4332	0	0	24171	16281	0	16048	10023	17061	18862	18538	0	16982	13297	7636	18813	10023	9113	20171	14549	21008	15421	8749	25135	11370	14519	29189	34829	45674	11201	15457	15225	6994	17767	0	8693	13261	15904	16834	14331	10122	18674	19325	11458	12035	15276	14487	15132	15779	12157	28510	14032	20277	6513	20151	16930	13381	20794	13574	18645	12399	12085	10030	18905	10991	0	10780	13996	Phytochemical	0.21052632	0.94736844	0.0
2	C13 H18 O5 N4	311.135	311.1356	0.1106545	311.13504	15138	14909	11372	14573	11743	0	9496	15173	13746	6131	6830	15104	14183	4962	12843	3586	23780	13464	17347	7242	13015	22390	15236	17445	6104	606	2625	4684	14617	9318	15413	12785	23401	11714	11683	10272	18075	11816	30820	8412	13456	18551	0	0	0	6367	10328	0	13812	8700	15675	14045	14695	0	14172	5702	8851	15515	7522	10599	4903	5796	16931	13606	9768	16144	13371	30752	1638	3014	4151	14700	13053	9728	3592	12104	0	12219	13065	6396	11020	4516	5102	2129	9645	9121	12761	18069	13872	38822	10284	12458	38475	8192	1589	0	15196	11295	8396	7997	6327	17788	12395	8493	5422	22743	9644	0	11355	22494	Peptide	0.3846154	1.3846154	0.30769232
6	C13 H18 O5 N4	311.135	311.13547	-0.030865328	311.13498	4311	6859	6352	5877	4650	2750	5240	9093	4799	5327	3715	5088	4385	1231	7374	7942	10795	6644	5826	2579	3825	10580	6853	10441	5342	0	4677	0	6434	4719	7211	9625	9113	6762	5406	6774	10132	7145	10364	3133	6400	3872	0	0	0	4794	5211	0	7818	6211	7171	7354	3601	0	5354	2251	3198	9599	6004	5663	9445	3700	3549	3597	3854	4624	4529	11835	0	0	0	6409	6475	4431	5917	6819	0	5255	7239	5227	6164	3139	4227	1492	3625	4828	7467	5258	6085	22999	3893	7780	20148	6277	3242	0	6716	7249	3478	2594	3255	9620	5875	6673	0	9585	3046	0	6427	7973	Peptide	0.3846154	1.3846154	0.30769232
10	C18 H18 O3 N2	311.139	311.13953	0.31887007	311.13913	12898	7484	8750	10912	3898	6780	9120	8354	8174	24390	22184	4970	6044	3476	8450	18602	6608	10394	12885	24986	24610	7572	7203	0	6728	37428	5342	32998	7126	17624	6412	9792	14106	7864	22050	12180	9300	7554	15364	15716	17966	7972	0	0	0	9344	13442	0	8218	5666	6098	4438	8200	1802	10960	8764	2254	22770	0	0	0	6484	3754	5378	0	3724	7194	13926	21172	34060	43756	16198	11716	7876	21890	7230	2178	3638	11024	20910	6146	5384	4008	9808	7596	5410	14376	6720	4764	16506	30714	9758	17328	11862	22504	1664	8058	11822	5824	3782	2252	13754	7292	0	0	16732	4544	2120	5266	8972	Phytochemical	0.16666667	1.0	0.11111111
14	C13 H23 O3 N2 S1 Na1	311.13998	311.14035	-0.10867402	311.13995	6362	5663	4599	0	6006	4551	3356	5278	5652	12063	5149	4581	5554	4751	5696	9143	7375	10607	8355	14598	13226	0	5935	8920	5171	21908	5020	0	6968	3188	6189	8855	11098	6574	0	4198	7041	3726	4837	11496	11895	4112	0	0	0	6841	5397	0	7804	5296	6482	0	6720	0	11544	5796	3756	5995	0	0	0	5304	6989	7375	2767	5547	6993	6069	0	18514	12904	6530	6888	3064	7167	5114	0	4747	5343	0	7245	2894	5272	6287	7558	6519	8458	5356	4605	6957	6682	8645	6346	0	10762	0	8362	10259	6745	6172	4943	0	5309	7360	0	5404	7125	0	4864	7744	Peptide	0.23076923	1.7692307	0.15384616
2	C23 H18 O1	311.14304	311.14368	0.24470815	311.14313	11060	5155	3840	3405	7960	0	2571	4023	3710	7160	3100	4912	12162	1331	8966	2580	6261	5983	12836	8332	6545	15118	4221	4451	1921	1398	0	4694	4589	2802	9844	9622	7601	10544	5333	8174	5073	9244	9170	5059	6325	3764	0	0	0	5876	9056	0	9576	2620	4470	4370	4482	0	4412	1891	2178	12876	2892	4491	2120	6746	13166	5070	2470	5788	10550	8531	2003	2268	3945	10556	10632	8342	1418	2582	0	2702	10304	21157	3380	1611	5666	2197	3820	2706	4063	5338	5205	11171	9001	19678	9040	6404	1987	0	11524	4551	3371	2704	5572	3591	3052	3393	2564	7324	2677	0	3684	6741	Phytochemical	0.04347826	0.7826087	0.0
6	C23 H18 O1	311.14304	311.14352	0.027477274	311.14304	6887	15374	13408	17088	7136	2925	10876	9217	8996	5234	3541	13460	3732	1652	6933	21142	7700	11190	16580	16190	16582	9328	5662	10360	13276	2223	10002	2955	5177	6966	6249	8119	19828	7252	7631	6791	20634	5630	9279	8182	8383	8890	0	0	0	6430	8569	0	8521	15442	16444	6621	7858	0	4419	1727	6002	8794	6255	8035	21666	5309	4906	4318	2614	4626	3998	28160	0	4518	3201	6318	15996	6265	4264	6168	0	10694	12620	3436	4979	10008	5626	4242	3046	3178	5601	4910	10882	36410	10528	7723	37352	10840	18762	0	15494	15782	2338	2276	1341	19228	11822	20514	0	19598	2780	0	14856	12774	Phytochemical	0.04347826	0.7826087	0.0
20	C16 H22 O6	311.14893	311.1493	0.11403468	311.14896	657088	686266	670396	544036	754169	789291	450021	666754	849494	780764	338755	379722	1248249	593803	669003	579892	382915	1248421	1202583	910612	799509	604998	563573	561398	546497	380064	409211	380582	853417	600938	599006	711476	974176	686472	831249	630768	1082537	476120	399970	636395	369097	605921	35361	21009	17473	428667	276606	20302	707877	468473	665763	685678	715783	16427	1316871	750627	475690	701751	651937	270614	645779	361721	975117	920748	330771	942430	670307	432073	358074	613061	472207	571791	618891	641059	433166	629123	13792	493174	554380	309411	402653	242382	498681	382605	602993	483411	545394	480281	660808	413257	822883	923391	736763	338095	438976	25913	674568	697474	540057	622423	680234	905857	435895	732839	296946	539527	544600	20755	422586	1173722	Lipid	0.375	1.375	0.0
22	C16 H22 O6	311.14893	311.14932	0.18939272	311.149	185403	187987	164375	188542	206163	202751	148271	183066	234726	198766	94877	117368	261216	161426	197428	177673	132383	352201	261882	202051	182195	169780	175547	180924	178444	98620	118238	94249	229822	166817	181356	204715	257825	195086	206944	199533	282003	155567	147354	142329	101932	139405	23044	15420	16343	128984	83491	19892	216195	148519	176134	187415	190019	14480	341893	201449	137612	218538	156252	76184	193785	106924	273873	243658	98026	267650	176140	130779	91957	173197	127316	179737	163773	161846	111483	180421	13037	143996	199263	76748	160176	84177	144713	101501	191606	140663	178476	143929	179777	130781	231650	225325	222409	85838	123686	18041	164096	177181	152093	202435	201051	247795	146327	180277	98330	166630	153727	17988	141682	336060	Lipid	0.375	1.375	0.0
18	C15 H22 O5 N2	311.16016	311.16055	0.1377472	311.1602	11456	9322	6190	9078	4229	7149	5599	12513	3478	7766	2798	4970	2698	3680	4687	14289	9494	9450	8117	3603	2390	11254	8112	12150	9350	1842	4946	3157	8583	9832	8416	10136	14043	12416	6466	13764	21045	6916	10411	4584	4485	5798	390	0	583	5295	3221	0	13339	4756	9958	7752	6176	510	5005	3579	2850	14161	5351	7248	12895	2338	2500	5895	1794	5841	5472	9638	0	1626	0	12565	6039	8194	6297	10963	397	4449	7240	4301	6505	3536	4110	1319	1741	1918	7163	5102	6208	12313	23388	21888	20610	4056	0	604	8744	6085	2607	4597	1345	15603	6784	9594	2538	12036	3724	363	8997	7763	Peptide	0.33333334	1.4666667	0.13333334
16	C15 H22 O5 N2	311.16016	311.16055	0.05066291	311.16016	30769	32501	30931	28611	19829	23907	25974	34893	18432	17727	12174	20906	17637	13850	25596	39645	29782	29841	29752	19006	20949	43121	22214	57744	28298	4555	21989	11972	29606	29375	30714	33906	55393	32582	24490	35993	54432	22819	33086	22946	20696	21470	875	0	0	20920	17289	822	43007	27046	30621	27510	27636	737	19754	8106	12321	44146	30042	19918	45525	14435	15958	13674	8521	20438	25577	41247	6766	8682	6881	37724	32773	34379	29634	34709	355	23132	28000	17151	18315	13804	27882	14689	11487	11340	29251	25933	25639	54949	47034	47079	72199	16108	24057	0	29068	29429	9812	9713	12042	47430	18019	29758	10836	49437	13951	582	28425	24880	Peptide	0.33333334	1.4666667	0.13333334
28	C18 H23 O3 Na1	311.16177	311.16193	0.38591233	311.1619	0	0	0	0	1000	1474	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	119713	0	0	0	1422	1521	3541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1063	0	0	0	0	2137	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1108	0	0	0	0	0	0	12467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.16666667	1.2777778	0.0
22	C20 H22 O3	311.16418	311.16455	0.17744613	311.1642	281967	298379	246434	265941	226671	210384	157805	291541	183629	258446	282640	198816	200836	191940	230647	360831	309681	259234	254544	346494	360972	293756	235941	330395	245068	761582	169563	257485	282539	280516	252053	293635	343581	284378	281859	300779	321444	201489	308694	287860	372033	221883	20588	4763	3763	222325	250904	6896	295419	263163	288057	264324	223240	6888	192362	209759	173027	333590	179941	222037	329963	194731	184341	166791	132253	241668	247245	335400	573974	610194	776793	246189	229868	224450	235827	269415	5338	189797	282119	246310	229585	170513	199490	234372	211303	173351	307842	247764	232809	459063	287451	279983	424515	242637	281032	10698	228393	276763	201195	292908	266024	370236	214749	323339	163440	313851	177156	3317	264015	202002	Phytochemical	0.15	1.1	0.0
24	C20 H22 O3	311.16418	311.16455	0.15399931	311.1642	229505	232432	194069	217104	231142	241940	116502	246905	145488	209393	274161	148372	210171	165438	163959	285162	187064	209402	283945	310730	295271	228571	188158	315535	172012	573009	108022	271525	249918	227415	216286	262820	278341	248350	262874	262851	287745	132615	203245	269889	309809	177936	24901	6637	7807	175868	186993	8030	268379	225016	224326	220409	198589	16064	157870	161770	119964	264473	154665	154176	297995	176413	160701	144142	98278	240770	235722	188729	442382	396330	488704	244572	237408	215281	142998	213484	10927	169564	208088	211552	165141	142620	154348	219042	180214	131266	236783	213459	218355	340781	223249	220055	347399	215314	226418	15209	201294	233338	145791	219273	237437	305406	135374	271607	135073	259813	140444	7601	178037	159078	Phytochemical	0.15	1.1	0.0
20	C20 H22 O3	311.16418	311.16455	0.12322568	311.1642	226834	253119	227323	194994	188260	154116	169479	252152	151566	219595	190788	177893	154951	141556	211408	316881	297850	167146	226466	269474	272022	239767	182101	264787	183236	525533	187491	176256	229821	227880	190851	246096	285822	210947	218905	232981	260555	174494	298491	218825	297833	171643	12017	3243	2431	174786	204571	3651	235314	210772	228940	238805	174240	3711	159357	168205	139696	269107	150531	197232	242894	142777	154904	157806	115325	179393	168825	314822	398634	439834	637422	189399	199903	195156	285234	231524	1479	169842	252841	187864	199284	128004	181763	182412	182077	145736	251058	185078	175761	395207	265025	221167	364069	183982	216891	6181	231454	231881	154939	214334	232829	293158	178881	238624	117924	248293	168930	2924	225666	152151	Phytochemical	0.15	1.1	0.0
12	C20 H22 O3	311.16418	311.16458	-0.023037922	311.16415	23912	28706	21979	31333	9086	9638	22042	24899	10501	11640	9043	19924	7746	6827	17375	30354	28114	9340	13340	21793	14684	23835	16637	27442	16095	18782	29696	0	19674	24706	19445	21768	16647	15678	17499	22510	14829	20023	34341	13284	22985	8861	1209	1165	1201	13002	23490	1733	27953	28220	19561	23277	10566	599	12754	11630	12777	29278	17234	23293	19137	7705	7437	7184	9623	9188	9244	40047	0	18600	31880	12831	15232	23241	33261	28940	783	14453	23737	0	27631	16453	19542	12872	12973	9100	17443	7815	9205	52655	16817	19348	24571	10412	16941	1281	25621	19253	12566	14713	19661	20820	14823	23729	0	19035	11596	1485	23610	9016	Phytochemical	0.15	1.1	0.0
26	C17 H26 O3 S1	311.16754	311.16797	0.2727389	311.16763	3136	4541	3512	5416	3388	2701	0	0	0	8413	8025	0	0	0	0	0	0	0	4356	12307	13741	9894	0	0	0	0	0	14005	0	0	0	0	2434	2492	13499	0	2434	0	0	11943	7903	0	0	0	0	9734	12876	0	0	0	5859	3932	4047	0	0	0	0	4971	8942	7681	5530	6564	2154	0	0	3705	5320	2921	0	2577	1762	0	0	0	0	0	0	0	4668	12398	0	10788	8618	5263	0	0	4625	0	0	11337	43937	39219	9906	14104	17250	0	6439	0	0	0	0	0	0	10885	9955	2757	0	0	2824	0	Organosulfur	0.1764706	1.5294118	0.0
14	C13 H26 O8	311.17004	311.17056	0.41589656	311.17017	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	510	736	0	0	476	0	0	0	0	0	640	0	0	692	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	878	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	522	0	0	0	0	0	0	0	0	46986	0	0	604	0	0	Unclassified	0.61538464	2.0	0.0
12	C13 H26 O8	311.17004	311.17056	0.06589529	311.17007	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1147	678	1094	0	0	901	0	0	0	0	0	1547	0	0	0	0	8049	0	0	3464	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1310	0	0	0	0	1197	0	0	0	0	0	0	0	0	0	0	0	0	0	1003	0	0	0	0	0	0	0	0	191997	0	0	860	0	0	Unclassified	0.61538464	2.0	0.0
10	C13 H26 O8	311.17004	311.17047	-0.011388303	311.17004	294727	281640	257672	193253	13667	7885	34200	10887	17351	81619	533347	4481	21453	24851	7653	11223	7070	11350	6179	33562	39350	40551	5233	16937	12217	13865	33726	1268552	10521	10937	4548	8144	7645	6687	19291	10175	9097	7194	3836	388463	172032	10711	58662	5342	9316	370249	431610	15591	6830	8894	267603	292342	8648	19542	14231	7189	25167	18666	1449971	18006	221424	1111798	58159	7225	36702	55240	36063	6575	125515	87011	41904	11525	6378	6894	4762	5851	13769	3481	6517	603712	11582	55554	17663	16148	13465	33286	7628	16498	7340	10649	92712	73483	15017	243578	63635	5319	286631	257958	20850	7622	14045	11077	3418	78046	27278455	5452	16082	18691	10575	12449	Unclassified	0.61538464	2.0	0.0
8	C14 H22 O4 N4	311.1714	311.17178	-0.025180435	311.1714	3245	3083	2035	2754	680	3799	2026	5781	1392	0	0	3289	890	1112	2465	6152	2935	1157	1454	0	0	3414	2155	4443	1622	0	1770	10998	3241	2637	3676	3896	3312	2039	1007	3053	4117	3332	3400	0	0	2164	0	0	0	0	2207	0	2961	6280	2968	4139	0	0	912	493	0	5312	0	1735	0	0	0	1001	0	1317	978	5615	0	0	0	6812	3722	2430	3214	4289	0	3308	2177	14111	2526	1088	1866	0	0	0	2713	1350	1206	8902	32586	0	10343	0	3029	0	3742	2506	0	0	0	3282	1722	0	0	4265	0	0	3443	0	Peptide	0.2857143	1.5714285	0.2857143
14	C17 H26 O5	311.1853	311.18573	0.09004954	311.18533	99261	103040	92586	95267	56844	53471	177111	102030	47144	44675	45843	70260	53995	67685	69057	122992	164981	61573	68487	59592	54669	82481	59224	86478	75947	77903	173506	51761	86672	92932	73040	102110	90420	70465	53300	104437	89019	70416	168455	35716	54502	65148	8090	2615	2259	51331	55904	3004	115360	81733	90746	91746	58676	2106	76299	57975	56632	132606	51681	67561	91994	22075	73347	52958	55951	61716	80088	166045	30151	48333	54328	59472	77755	95724	132685	95299	2059	60026	91357	63391	69040	43666	256281	219272	94719	63679	132151	48960	69996	213109	97348	92538	118112	40560	54102	4130	93050	92404	44912	86923	97989	108501	66825	73144	28223	93600	64876	2657	91910	46834	Lipid	0.29411766	1.5294118	0.0
20	C17 H26 O5	311.1853	311.18567	0.09127152	311.18533	468460	455177	490713	432038	447414	386774	964914	457849	367034	460830	275270	275264	465887	514404	424365	531748	420091	557240	616807	534513	509280	353148	293062	381217	433279	316835	876049	384282	686767	520814	406508	592952	736112	565255	444413	591720	775773	355372	433058	271309	261695	410136	40863	9424	7318	271136	233288	8853	613915	371873	462763	463098	433744	12155	482481	363228	305756	584092	332956	240123	516424	197451	445278	389180	360163	592059	560388	427675	162418	278775	246365	422369	545480	567696	518641	545758	6553	333425	335867	367961	241873	205411	946723	693810	366662	364874	499111	397581	473591	417018	759392	686847	483200	246971	350757	16309	456142	492273	310967	379594	440110	780416	303923	524440	280881	440185	338556	10887	361728	426939	Lipid	0.29411766	1.5294118	0.0
12	C17 H26 O5	311.1853	311.18576	0.04877295	311.1853	52917	57414	49875	59851	24872	26668	67039	45919	23669	26477	21756	29086	20243	25675	31805	96137	69876	23747	32182	32657	27254	58104	28842	61736	40878	25953	83242	19033	54342	55629	38682	54255	45113	36534	23681	58214	45607	36684	73293	15668	30381	26299	4583	2405	1665	28142	33101	2268	63095	64383	57922	59730	23942	1749	25552	29753	21621	70110	24281	35067	49734	9752	24054	18918	24850	24759	27554	74019	17995	18347	26378	34229	40624	58314	95279	53194	1152	29815	43165	15787	30081	25864	61846	41841	39966	31526	52873	21065	26498	103318	61763	52982	75366	29225	41702	2523	51853	51149	19828	38703	45753	71075	24698	49787	0	47294	33519	1580	40993	25870	Lipid	0.29411766	1.5294118	0.0
10	C17 H26 O5	311.1853	311.18573	0.021912916	311.1853	18666	18107	11773	13503	7842	6562	20238	20004	8830	5863	6350	11593	8901	7490	14249	29585	22067	8436	11501	12662	7940	14983	13082	17772	15910	6830	20988	8449	18106	18030	14479	14389	15267	12524	8707	23239	16425	12655	25508	6624	10393	10299	2613	1949	1960	11918	11495	1965	15173	16633	10486	17639	7401	1545	13779	10346	8107	19478	10969	9055	23342	3111	7717	7673	8155	7649	9922	23208	8919	8343	10393	9689	12966	19528	26681	15907	1137	8536	17807	9185	15196	10741	19304	11233	13854	9504	20172	7644	9297	30641	12294	12166	23906	8612	13566	2337	16980	19271	8578	12824	18072	16972	10632	10947	0	14290	10880	1470	15189	7003	Lipid	0.29411766	1.5294118	0.0
14	C16 H26 O4 N2	311.19653	311.19696	0.05252251	311.19656	5708	7802	6843	6551	2995	1879	5465	4327	0	2194	3459	4733	2483	2054	2484	15565	8634	2637	3053	5767	5925	20894	3637	16684	6075	3785	5150	0	5110	6475	3907	9542	7022	6163	5634	4463	7336	4093	9437	4439	5385	4163	0	0	0	11345	6356	0	6817	5119	5164	9810	2207	0	2200	1595	2823	23826	0	0	0	0	1845	0	2103	3133	2720	8124	0	5148	3138	5103	4897	4533	9066	5388	0	4898	5166	0	4060	6563	4956	3870	0	0	5671	4025	4061	44122	23251	11044	36903	6802	8432	0	6344	5859	1057	0	1560	5406	2918	6812	0	12596	2660	0	10860	5786	Lipid	0.25	1.625	0.125
18	C16 H26 O4 N2	311.19653	311.19693	0.14725752	311.1966	5358	7148	4952	7018	2449	2858	6631	5233	999	3897	2826	4268	3044	4912	3447	7520	12299	2730	3111	2082	0	13139	3238	4627	13319	0	4980	1403	3991	3298	3224	3290	6442	5357	0	3714	6989	4184	10770	2031	3539	3346	0	0	0	1875	1258	0	4797	1651	5801	5880	1706	0	0	1152	0	10493	0	2645	10173	0	0	1334	1396	2027	3384	10341	0	0	2150	4243	3405	1682	7300	4606	0	2388	8599	28544	3820	1308	2476	0	1281	1709	16455	4496	3613	30146	27983	14823	25620	4253	1921	0	4216	7024	1872	0	0	8871	3291	2888	2405	7455	2696	0	16802	0	Lipid	0.25	1.625	0.125
10	C16 H26 O4 N2	311.19653	311.197	0.07902205	311.19656	9386	7939	4885	9567	7193	3746	7245	7352	3554	8161	2895	5391	4291	5894	6000	13147	7889	6055	7521	9452	10615	10666	5981	12354	7163	7067	4884	2946	8190	7133	7936	12070	11709	10408	17109	9336	13513	5821	8007	9549	4887	6443	0	0	0	8053	5879	0	10087	8438	7669	8968	4849	0	2659	3870	2989	19758	0	2898	12217	2717	5718	3592	1157	4150	4349	13606	0	8395	9740	9451	8258	7248	6177	8463	0	5901	5333	0	3713	1758	3209	4979	3608	2304	7148	5452	6522	19013	17984	7770	20174	5589	8828	0	10647	9210	3072	2382	3131	11448	4837	8080	0	11713	3497	0	7138	5430	Lipid	0.25	1.625	0.125
20	C16 H26 O4 N2	311.19653	311.19687	0.16523704	311.1966	3572	5305	3364	0	1732	0	5093	2560	0	0	0	3697	0	0	3137	9014	2882	0	1711	0	0	7613	2091	4164	29521	0	3695	1562	3728	2103	3916	4411	8137	2920	0	4752	5263	1868	3405	0	2044	0	0	0	0	0	0	0	2969	3376	3625	5088	1819	0	0	0	1263	6404	1097	1358	6028	0	0	0	1109	0	1709	5649	0	0	0	2597	3702	2540	3418	2514	0	3942	8787	31159	1510	1657	2560	0	0	1718	17926	0	2522	44748	19205	7109	21244	3793	0	0	4426	3651	1734	0	0	2515	2257	0	0	7466	0	0	37085	0	Lipid	0.25	1.625	0.125
2	C16 H26 O4 N2	311.19653	311.1971	0.08222109	311.19656	15935	15385	13672	14795	9153	0	9436	19817	5465	13543	8027	11367	7735	3477	15750	21133	16199	9822	12322	18213	17901	19571	10984	19287	13386	6208	8017	15275	17168	13342	15204	16939	16939	13984	16792	18792	16735	13451	18442	13923	14879	7585	0	0	0	10956	10870	0	21034	12214	13251	13066	8495	0	9459	3790	4457	26945	4450	3290	19647	8680	7217	6734	4299	7268	8252	18824	6372	13764	12025	13187	12845	13242	13007	14246	0	17107	11855	8874	7819	4668	6875	8176	5012	5347	16660	6545	8893	35425	29836	25875	37085	8906	17211	0	13854	14282	4784	4194	3863	14213	15762	18726	6038	17245	6514	0	11792	7279	Lipid	0.25	1.625	0.125
24	C16 H26 O4 N2	311.19653	311.19684	0.3360839	311.19662	3006	1813	3725	2107	0	0	4430	0	0	0	0	2020	0	0	1651	0	0	0	0	0	0	1577	3418	0	72629	0	2331	0	0	0	0	0	0	0	0	0	0	1162	0	0	0	0	0	0	0	0	0	0	0	0	2470	3690	0	0	0	0	0	2263	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1372	24805	93981	0	4194	0	0	0	0	54656	0	0	46473	49058	7757	8561	4847	2393	0	2994	3114	0	0	0	0	1726	0	1562	2745	0	0	125188	0	Lipid	0.25	1.625	0.125
4	C16 H26 O4 N2	311.19653	311.1971	0.061792728	311.19656	20493	17771	21196	19388	7996	9223	14654	27340	8714	14836	7037	13597	9080	5014	19257	37013	22903	15010	16867	25238	20078	27613	18174	30715	26580	10137	16200	6898	26510	16708	21274	26496	26649	18742	24660	23057	26575	16126	24166	17049	13238	9563	0	0	0	14933	13389	0	32416	23495	21039	15608	9617	0	12875	3087	4924	40530	2487	2318	33550	10298	9365	9935	3298	12023	10367	27169	6933	17504	16428	19526	16229	16231	20926	18272	0	12669	22010	9185	15091	4503	7763	9984	5470	6543	24411	8540	14899	37363	40430	23324	54555	9754	20336	0	20485	22450	6104	4687	5370	21248	13422	31117	6686	28664	7224	0	23714	11315	Lipid	0.25	1.625	0.125
6	C16 H26 O4 N2	311.19653	311.19705	0.04418409	311.19653	30933	31091	25364	27944	10436	11544	19722	45688	9417	22844	7669	17832	9901	6904	26944	52582	34263	19438	23559	33158	27386	34475	25118	58135	35474	7692	19862	7741	41153	28202	36423	41784	42400	33496	31953	38878	39274	24620	41628	19990	11085	14981	0	0	0	25783	14280	0	61189	32071	26360	27721	13594	0	12082	3863	7566	68667	1667	2462	58125	8481	10263	8987	6389	14082	16890	54410	6402	27522	13443	26338	20541	26512	37219	30633	0	21889	29656	9758	19318	4577	6463	9424	4205	10142	40499	17847	25163	49308	47619	33245	66233	11817	25000	0	25942	23434	4983	3394	2616	32607	20249	33025	8034	42562	5541	0	29843	15610	Lipid	0.25	1.625	0.125
8	C16 H26 O4 N2	311.19653	311.19702	0.07374311	311.19656	15300	19108	15505	20101	8062	8643	11090	19449	6453	18058	4477	10136	7564	6068	11797	31512	17050	10835	17374	18392	19493	25997	13612	28051	16523	6096	13701	5223	19693	18324	17728	26301	25248	15529	21848	18762	26209	10146	27649	13058	6918	9308	0	0	0	16246	11495	0	29966	15604	16518	23653	9235	0	8235	2926	3661	38451	1284	2312	23639	5429	5867	7423	5601	9466	9686	28021	5664	16201	10908	17781	14730	10754	24172	20919	0	9775	13494	6850	8465	2524	2976	6107	4315	4847	15618	10999	12566	40362	28862	19981	47117	7612	18250	0	19437	14237	4799	2853	2804	24274	11411	21603	0	21899	4036	0	15717	11039	Lipid	0.25	1.625	0.125
18	C19 H27 O2 Na1	311.19815	311.1983	-0.29282635	311.19806	5358	7148	4952	7018	2449	2858	6631	5233	999	3897	2826	4268	3044	4912	3447	7520	12299	2730	3111	2082	0	13139	3238	4627	13319	0	4980	1403	3991	3298	3224	3290	6442	5357	0	3714	6989	4184	10770	2031	3539	3346	625	992	1027	1875	1258	952	4797	1651	5801	5880	1706	1130	0	1152	0	10493	0	2645	10173	0	0	1334	1396	2027	3384	10341	0	0	2150	4243	3405	1682	7300	4606	742	2388	8599	28544	3820	1308	2476	0	1281	1709	16455	4496	3613	30146	27983	14823	25620	4253	1921	679	4216	7024	1872	0	0	8871	3291	2888	2405	7455	2696	1037	16802	0	Lipid	0.10526316	1.4210526	0.0
24	C21 H26 O2	311.20056	311.2009	0.1213554	311.2006	132719	143302	119426	129836	115356	81340	102658	153009	92885	111326	136418	106615	88040	87027	138557	209842	246386	96952	170552	141784	146428	125486	111259	151828	117493	324011	103889	130541	142761	168561	129486	174450	160551	132650	121548	193865	161180	117440	229532	125326	148784	140254	4397	2182	0	96327	101536	0	158738	154293	134925	123679	113283	0	91412	91537	82114	178409	82351	108461	174179	80586	69267	78053	66144	100596	122039	228992	210823	183580	277729	101157	123586	151965	184971	169268	0	99618	140504	120512	103405	87042	101514	100532	113632	96040	183842	112988	125116	218673	123784	100660	177909	114053	130194	2832	120455	138448	90375	112015	112376	201967	98913	167394	72024	143369	100306	0	134599	77564	Phytochemical	0.0952381	1.2380953	0.0
22	C21 H26 O2	311.20056	311.20093	0.081329666	311.2006	90287	106262	83560	94349	88313	52713	102280	112140	75907	81902	88122	85218	48489	73520	102747	161242	208305	70375	96819	96399	106959	84554	70985	102273	122502	180832	110699	83550	107004	120384	91379	119844	122622	87633	77845	124797	109632	98812	204687	80689	120022	89136	2670	0	757	62485	84252	0	116428	108764	97515	102735	79908	768	71415	73067	67378	133022	65173	105114	113133	47990	55812	63646	57373	71969	87481	215539	136151	145524	199289	67890	81678	98843	157009	116101	799	69161	135152	113400	97541	58739	82133	63774	97120	87231	169652	79166	81802	224519	114753	91298	130386	82165	97778	0	83110	103597	71252	96916	98638	149099	85911	107413	47578	105975	74684	0	146913	57466	Phytochemical	0.0952381	1.2380953	0.0
16	C21 H26 O2	311.20056	311.20096	0.044991698	311.20056	8327	7171	12395	7554	4666	1990	9982	5108	2745	1866	3407	8225	2314	4151	4388	10087	18378	4091	4385	3810	3627	6661	4817	6703	5927	5471	10348	0	5942	6830	7750	7246	8109	4575	4283	9465	7578	6437	21634	0	3146	5330	0	0	0	1397	4412	0	10145	9305	2715	10774	2753	0	5085	4019	6456	7252	5404	7185	7496	2027	3920	4127	3747	1932	4787	18950	5580	1478	7131	4179	3959	8203	17712	6811	0	7020	10405	6048	7725	6977	7784	4521	7427	2440	12695	5545	4928	0	9388	4851	0	3452	4407	0	7757	9405	5492	7056	11410	5172	5561	4160	0	0	8716	0	9799	4773	Phytochemical	0.0952381	1.2380953	0.0
12	C21 H26 O2	311.20056	311.201	-0.032788917	311.20056	0	0	0	1493	0	1008	0	0	0	0	0	0	1898	0	0	2856	3073	0	0	1657	0	0	0	0	0	0	2012	0	0	0	0	2369	0	0	0	0	33653	0	2956	1540	0	0	0	0	0	0	0	0	1353	1204	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1323	0	2418	0	0	0	0	0	0	0	0	0	1050	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1103	0	0	0	0	0	0	0	Phytochemical	0.0952381	1.2380953	0.0
20	C21 H26 O2	311.20056	311.20093	0.13742347	311.2006	57172	57346	51234	49850	49350	25606	60239	55568	35019	40127	38742	47139	35607	39605	53870	75336	125870	31187	61914	49030	39799	39247	38768	58877	51062	75061	60613	38502	59094	59660	39862	62884	69177	40786	40623	57322	56069	48725	128653	28849	60526	42295	1925	830	0	27190	48649	1107	57286	54433	56808	55914	38019	786	37210	45073	43427	65244	35799	61457	49175	19777	24982	27313	32237	31193	44202	129908	49423	61906	96116	33379	46276	59231	113381	60499	0	36554	71737	52865	51946	23433	47459	36365	58474	45798	85518	41493	46290	121301	57466	48212	84543	40696	37847	951	52745	52806	40409	57513	58548	71408	47536	41999	21754	50542	44391	0	63543	29819	Phytochemical	0.0952381	1.2380953	0.0
28	C21 H26 O2	311.20056	311.20096	0.13211116	311.2006	18290	16002	15167	15587	16822	9488	13696	19652	14217	10463	14651	11543	14825	11058	15921	19061	19824	13359	23354	13864	12814	16860	13540	14881	21846	36601	14061	22069	23566	25335	22495	21802	24238	15412	14919	30422	17398	14303	20143	13378	10595	21322	2228	0	0	13012	7214	1658	18082	20865	15662	14557	20054	0	16681	15423	11702	21738	14840	8523	16196	8777	9802	9926	9295	17483	21316	23544	26600	21335	19966	11695	14523	26130	15565	21321	0	11658	19918	18941	10325	11119	13773	15524	23838	14575	30845	12735	12818	23900	18866	19271	24846	21568	14870	0	16372	16410	14290	23159	33655	26740	11961	19835	9953	17792	25369	1291	16580	9449	Phytochemical	0.0952381	1.2380953	0.0
18	C21 H26 O2	311.20056	311.20096	0.110839196	311.2006	20016	24331	19856	21192	18275	9200	27034	24224	13290	11240	15199	16222	9008	13079	27898	35581	76100	13070	16772	14402	12484	15205	20345	28794	19534	22146	28465	14320	21434	25995	19534	25624	26670	17891	12314	29771	23678	22849	66555	11396	22013	20372	3381	0	0	9407	10997	0	28851	25446	24550	21141	13594	2347	18717	19033	18154	34640	9275	33811	21593	8306	8347	11157	16849	14886	14884	65563	16512	18441	32265	12644	16931	26394	52084	27761	0	16045	32458	21200	25215	12563	19699	12582	24437	20929	40408	12670	18032	67584	22272	27103	30414	11055	16732	0	18453	22132	17504	26224	32314	24454	16465	24040	8523	23768	15071	0	33131	0	Phytochemical	0.0952381	1.2380953	0.0
26	C21 H26 O2	311.20056	311.201	0.17942768	311.20062	90140	92445	80688	83684	92545	45118	57795	109721	74919	61016	107033	64276	56744	54485	103982	122931	110613	61520	118581	102494	97054	99631	61504	98570	90952	299734	62672	113004	108475	117180	98893	103003	114675	89569	91737	140090	109404	81160	119949	95972	114193	124092	0	0	0	65084	63912	0	103599	98734	92980	85412	77852	0	66880	65463	67381	144949	68030	61396	115331	60751	51597	48336	48740	77743	114244	131801	218757	143725	196493	72696	80815	124413	93350	116117	0	63351	82689	113979	61907	68284	83066	86474	79868	65326	122756	73862	73822	103552	77833	83399	120702	113506	101181	0	83101	94351	74290	82962	86271	140182	58871	100960	61250	87313	72331	0	89290	48702	Phytochemical	0.0952381	1.2380953	0.0
4	C15 H26 O3 N4	311.20776	311.20828	-0.037584096	311.20776	11233	9250	8813	9188	0	1226	6434	28294	0	1772	0	6690	0	0	11517	29487	31472	1459	2205	1990	2101	5813	8148	54979	12245	0	6638	0	21985	0	17668	12994	9981	18514	3205	14975	13349	10241	38590	868	814	3653	0	0	0	9784	3489	0	37909	17100	8085	8726	2041	0	303	0	2561	36619	404	3248	38837	0	0	372	2019	1447	1937	36654	0	1985	0	15603	11541	5366	38064	10434	0	6864	5172	0	4455	1448	1385	539	0	3266	4109	7267	4917	10440	7838	2767	15123	1118	1326	0	7746	11488	0	0	0	10165	5646	17067	0	26468	0	0	12980	0	Peptide	0.2	1.7333333	0.26666668
22	C16 H31 O4 Na1	311.21927	311.21982	0.337619	311.2194	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	332	0	0	0	0	0	0	1544	0	918	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	539	0	0	27665	0	0	0	0	0	0	0	0	0	0	40085	36154	0	2561	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.9375	0.0
28	C18 H30 O4	311.22168	311.22208	0.13326885	311.22174	25357	23089	23740	20394	7752	8907	136709	45647	7111	8304	19429	67812	9388	12479	12390	24129	17715	8665	10725	28542	13438	5602	9535	11928	12763	13034	159371	29746	109069	205489	70136	56914	24762	47615	9017	64474	15344	10044	9918	8319	6964	16617	7162	6490	14218	13233	9707	5686	104983	67506	27118	24185	9520	13648	13361	12993	13902	34989	19919	11449	35375	7572	8773	14721	35093	14217	17610	10049	10315	6941	5942	57287	54558	47437	17350	55379	14403	48802	11007	34043	6645	16998	26181	14709	11044	11744	12163	8562	13281	13646	102876	51506	10136	11751	9128	6324	24473	26215	7802	7248	17054	24682	74130	134362	23965	10864	9420	6152	8497	6703	Lipid	0.22222222	1.6666666	0.0
22	C18 H30 O4	311.22168	311.22205	0.08765614	311.2217	105655	106046	99492	104227	52106	117865	1274123	72328	19566	52355	63429	29229	39566	551320	32889	78951	102341	36108	47638	50661	37072	51069	29114	34981	40734	200235	1343760	127109	71027	83258	47525	93190	78276	71076	28826	86079	58456	33171	112445	42367	75267	128932	42816	6698	6140	68386	64240	4533	135369	96238	113461	95214	34972	57580	25246	72055	97848	89531	24770	90576	136741	20764	200008	18091	364075	111039	175561	105205	29631	63130	65217	51176	48572	72910	76388	86779	6653	25742	32938	473356	23223	117954	624041	696459	47204	79765	69242	73516	73120	110751	338747	264068	57533	66087	84641	18692	102255	116744	93434	44105	101721	67240	24745	84830	54368	48355	66196	6103	51630	120797	Lipid	0.22222222	1.6666666	0.0
20	C18 H30 O4	311.22168	311.22208	0.15756086	311.22174	36721	48029	44739	40119	16010	30645	428466	34122	6532	14903	12825	13746	11156	191294	10504	47617	54246	9616	20122	14463	6631	13420	5612	16906	16296	108226	465013	40561	29093	31713	15793	30877	29791	22967	6141	29752	18594	12982	55955	9122	27709	60685	9545	805	1305	18302	12951	1210	40205	31595	38657	43809	15177	10856	6304	22402	37117	33318	3478	31532	45800	5223	45429	4059	112764	29797	79188	51011	7907	21048	22743	20915	19912	37406	44614	33814	1090	9601	16689	172274	8589	26090	400830	417828	25994	53459	30040	27769	34275	67782	165931	89442	32063	18422	19272	3994	44188	43047	23376	23780	76518	27810	9389	22928	13343	30363	42822	1236	22978	27570	Lipid	0.22222222	1.6666666	0.0
16	C18 H30 O4	311.22168	311.222	-0.014110399	311.22168	3348	0	0	1639	1201	0	11619	1858	0	0	0	0	0	2767	0	3096	5186	0	0	0	0	0	0	1874	2771	1446	8001	2347	1678	2541	2769	0	1995	0	0	5220	0	1203	7243	0	0	2357	563	0	0	0	0	0	3809	2318	2566	2817	0	299	0	2127	1657	2345	0	0	0	0	0	0	2724	0	0	4795	0	0	0	1303	2787	5435	5856	3882	0	0	0	22925	0	0	14970	15584	2139	3393	1492	0	1660	0	15355	4936	0	1550	0	0	1967	0	0	1330	3815	3530	0	0	0	0	2543	0	2158	0	Lipid	0.22222222	1.6666666	0.0
24	C18 H30 O4	311.22168	311.22205	0.09151451	311.2217	144994	144619	135382	135992	96325	149385	1137062	106477	43679	95755	121072	58968	82735	415214	57797	126126	124795	76823	91592	83999	74329	64041	43757	71326	76213	122282	1035429	290432	100855	120839	74255	129000	156080	89821	80837	126076	109421	59102	148439	69820	113826	155687	50743	6435	18449	114107	122510	10731	202834	171873	126332	136350	71940	89671	55509	65371	85772	120636	57330	122389	155000	40328	196493	43586	282176	224732	228352	131866	36264	60044	68409	79481	79886	108135	89317	124776	23433	56914	49599	748572	33636	259014	355283	351393	85662	108951	98449	110458	107314	136612	550932	388948	98497	107675	128480	20641	140182	151329	77265	53763	142295	119748	50431	138617	202781	83745	90459	8009	72174	177798	Lipid	0.22222222	1.6666666	0.0
26	C18 H30 O4	311.22168	311.22208	0.13503526	311.22174	94562	93422	104938	101009	69211	52519	436487	122793	40204	51960	135604	132421	53311	142746	58290	108174	74759	47312	60103	79399	61422	40061	29611	43412	55594	43998	503167	334257	196629	302136	130684	147579	119452	110893	60395	165403	84176	56682	72850	52297	56190	82471	24595	12702	23393	62258	63180	11944	292251	153170	111725	97316	58307	28563	56649	49725	65350	119565	73174	82808	120171	47251	90408	54680	153135	119656	163360	79531	28886	35380	33371	97078	125410	121476	103453	163572	20909	83984	43506	472347	30216	350454	143215	108603	42045	63571	90902	44739	66416	61473	524729	455205	63646	107832	80271	12874	105055	111558	57107	39830	66046	114799	114375	265774	340629	60084	55375	9883	57403	69556	Lipid	0.22222222	1.6666666	0.0
18	C18 H30 O4	311.22168	311.22208	0.09129779	311.2217	15899	11632	12652	12035	7194	9027	77862	7961	2374	0	3370	2590	1950	25123	3119	15168	17603	5491	2938	3458	0	2912	4209	6831	6477	20491	75123	11614	7847	10665	5358	8720	9337	6859	0	7953	4640	4203	24314	1429	1979	14732	2264	395	471	3119	2169	0	12482	9122	12387	10314	2973	2573	0	3700	11567	12187	0	5422	9542	1010	5054	1396	25473	8025	13067	19540	1150	0	4643	4204	7833	12036	22394	6945	300	3523	5972	167350	1727	5091	109350	106576	11989	21978	11346	7756	5708	25421	104689	37615	4452	9797	6213	1003	9458	10327	4170	14182	49164	9070	2826	3438	1429	8853	14880	0	6660	4174	Lipid	0.22222222	1.6666666	0.0
4	C17 H30 O3 N2	311.2329	311.23343	0.087882265	311.23294	6090	5855	5821	6068	0	492	1367	7342	0	0	0	5221	0	0	8041	22513	871	295	0	0	619	6878	3147	4653	12383	0	739	0	14925	5589	82959	4476	3787	3469	3275	4097	3280	1808	0	885	0	613	0	0	0	0	0	0	48467	1688	6481	5959	1385	0	289	0	0	61647	0	0	25867	0	238	367	0	1087	391	0	0	6645	0	2816	3353	2277	3496	5035	0	20817	2206	0	1388	0	0	250	0	306	6760	3530	578	11711	5609	1596	32639	963	1442	0	6370	7710	0	0	0	3452	10829	0	0	222875	0	0	1763	0	Lipid	0.1764706	1.7647059	0.11764706
28	C22 H30 O1	311.23694	311.23734	0.11857232	311.23697	4088	3567	4613	4508	4299	1321	7086	5941	3264	1935	4533	3653	3032	3025	4867	5761	11063	2164	4672	2296	3192	2589	3456	2421	8216	10572	6946	8207	6677	6718	4338	7081	5145	4488	2288	8751	3944	7726	9052	1384	3305	3556	0	0	0	2450	0	0	5265	7448	5631	3932	5290	0	2803	3945	3701	6490	1824	1807	4666	1600	1079	1992	2577	3555	7018	13693	9792	2899	3651	2401	3553	6823	4585	6203	0	2468	8318	6888	3898	3549	3358	2947	7227	5029	22593	2619	4136	14034	4061	3613	3679	4929	0	0	5177	4395	3902	7222	8620	5790	3054	3448	4005	4951	5235	0	6524	888	Lipid	0.045454547	1.3636364	0.0
22	C22 H30 O1	311.23694	311.2373	0.11813594	311.23697	1963	5572	3094	2369	1955	1839	6467	0	0	0	2212	2100	0	0	4356	3193	17602	0	2280	0	0	1651	2614	1721	3034	2628	7317	1319	1542	2604	3781	0	0	1716	2002	3842	1772	4570	14864	0	2393	2063	0	0	0	1652	1261	0	1810	3655	4931	2872	2024	0	0	3418	2639	4743	0	3365	2833	1160	2007	1636	2630	0	1604	20730	2034	0	3158	1264	1579	2500	8291	4170	0	2257	4292	1831	3107	1636	2146	1224	4088	2828	10484	2024	3425	21673	2785	0	3778	0	0	0	2047	3152	2831	2522	4112	2055	2821	1741	0	2990	5118	0	5944	0	Lipid	0.045454547	1.3636364	0.0
26	C22 H30 O1	311.23694	311.23737	0.17107886	311.237	12939	14066	12668	11315	10822	4789	16850	13309	9914	8169	12865	8465	8105	8950	14723	20843	30688	6161	15715	9370	8694	7302	0	10601	19663	30867	18867	16553	12404	24645	10929	19414	16822	9139	8803	18308	14525	14322	31298	7691	14425	7219	0	0	0	5105	8358	0	14958	17358	16612	12600	9811	0	8204	10714	9807	19526	5425	10531	15555	5785	3340	7042	10234	10698	17797	40198	22737	14350	19386	5517	10350	29682	20945	18525	0	9866	23879	18795	14432	12146	11480	10074	13073	18087	48873	12356	15714	54123	15465	12277	15471	9802	6607	0	14119	14771	11592	21460	18151	23606	8897	11908	9231	10856	12836	0	23783	4833	Lipid	0.045454547	1.3636364	0.0
24	C22 H30 O1	311.23694	311.2373	0.11478477	311.23697	7851	11355	9159	10323	12907	4177	17704	8825	6752	4677	11248	7375	3023	7588	9778	16755	37187	2373	9156	7958	7223	3549	6564	6695	13744	16570	21593	9082	9012	12375	6140	11820	10779	4889	4649	13405	9398	10409	38309	7321	9727	6357	0	0	0	4675	7439	0	10407	12441	11398	11017	10093	0	7605	10226	9244	14650	4185	10952	10778	4718	4600	4448	5664	5240	12439	38332	8547	7837	16818	4792	5411	11631	23475	12057	0	6087	18715	14204	14283	6373	6741	6679	13326	9472	33529	7890	7972	54299	10432	8317	10139	5963	7147	0	13365	11087	10752	15590	16240	13278	6301	9076	4497	8067	13170	0	18450	3722	Lipid	0.045454547	1.3636364	0.0
12	C16 H30 O2 N4	311.24414	311.2443	-0.21821804	311.24408	0	0	0	0	0	0	0	1150	0	0	0	0	0	0	0	23662	0	0	0	0	0	0	0	0	25441	0	0	0	0	0	0	0	0	0	0	0	0	0	1325	0	0	0	0	0	0	0	0	0	1253	0	0	0	0	0	0	0	0	2924	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.125	1.875	0.25
24	C19 H34 O3	311.25806	311.25842	0.09974564	311.25812	42764	45868	43923	47879	11357	71612	602471	19086	4229	31992	32036	3021	12341	207511	5885	11619	15303	8807	14769	5895	6378	8532	2509	4769	6379	37993	594602	121113	16905	29193	13411	22604	51707	11542	14283	20492	8003	9400	20908	15495	20881	43421	10920	6862	0	35811	18593	5324	74081	59042	50797	46134	10064	70798	3807	35745	123951	21694	3959	33606	41199	7331	68471	3210	376250	32214	40809	17067	5045	15071	13601	13882	6499	20377	15289	69787	0	4280	4837	464739	5589	34181	60012	70426	63762	254047	12062	30352	18422	18368	223566	185509	31405	60651	34311	8295	40669	50727	44357	36514	191013	7604	5070	25799	10449	6275	153152	4807	15632	125892	Lipid	0.15789473	1.7894737	0.0
22	C19 H34 O3	311.25806	311.2584	0.13942662	311.25812	0	2140	1596	3873	0	3139	34106	0	0	3173	1494	0	0	7888	0	0	2198	0	0	0	0	0	0	0	0	3157	26966	6539	0	2551	0	0	1822	0	0	2250	0	0	1281	0	2475	3672	0	0	513	1811	0	0	5464	11062	0	2558	0	3673	0	0	0	0	0	8951	2512	0	1722	0	10006	0	2229	1598	0	0	0	1131	0	0	2088	5565	261	0	0	20358	0	2570	11154	14509	0	0	1992	1787	0	3641	9232	11176	2163	0	5041	0	1862	2269	1246	0	0	0	0	1346	0	0	0	0	0	5122	Lipid	0.15789473	1.7894737	0.0
26	C19 H34 O3	311.25806	311.25848	0.12800832	311.25812	97888	78092	93689	86240	29267	142141	737489	50616	20217	64814	124073	24297	39611	350111	43425	27279	29517	27777	36155	29595	34073	23593	13991	24241	20971	85827	703784	544239	59549	76353	34555	59700	129676	33071	33774	62914	32684	81064	39081	38328	45712	97888	26280	22164	21782	81597	37362	14698	135020	121178	93146	85316	23602	83369	22768	131943	407507	67574	24885	54668	78012	30491	118050	21485	874973	71656	69276	42116	67521	35819	30195	28478	26955	36149	27827	106419	25192	23691	22535	436999	19358	109395	125331	120681	256674	555733	28948	51690	34841	25272	280259	266595	57663	68403	68382	22366	96832	100836	123841	225133	862284	41402	22274	65520	64479	20326	369133	18184	44177	231970	Lipid	0.15789473	1.7894737	0.0
24	C20 H38 O2	311.29446	311.29456	0.084736444	311.2945	1154	0	0	982	0	0	33376	0	0	0	0	0	0	5912	0	0	0	0	0	0	0	0	0	0	0	2583	29564	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1653	0	0	0	0	0	0	0	0	0	0	0	0	894	0	840	1554	0	4872	0	0	0	0	0	0	0	0	0	0	0	0	0	1261	0	0	979	5345	7022	0	0	5984	0	0	2257	0	0	0	0	0	0	0	0	912	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1	1.9	0.0
26	C20 H38 O2	311.29446	311.2947	0.10913534	311.2945	5367	4210	4747	5189	0	2767	104172	0	2190	1598	10517	0	0	70955	0	0	0	0	0	0	0	2879	0	0	0	16097	101507	9542	0	0	0	0	1627	0	0	0	0	5536	2870	0	3538	0	0	0	0	0	0	0	0	0	5459	4715	2345	0	0	10890	7611	0	2680	8314	8686	5337	7957	0	190434	0	5162	2204	14285	0	3685	0	0	0	0	0	0	2966	4690	8841	2764	12244	10132	18822	0	0	21797	0	2191	3959	2244	1615	0	6263	0	0	5104	5870	18331	0	0	0	3152	6970	7795	2470	0	0	3724	2722	Lipid	0.1	1.9	0.0
18	C19 H38 O1 N2	311.3057	311.306	0.1836378	311.30576	23771	22955	27529	21972	0	0	45077	3306	0	0	13438	11648	0	0	0	74216	136150	0	0	0	0	0	7606	37911	2009	0	72268	71211	11577	23147	22328	38444	175285	16991	0	36824	321479	12001	53846	0	0	1082	0	0	0	0	1570	0	64506	1387	24817	24000	1487	0	0	0	973	312033	0	0	137435	0	0	0	1901	0	6815	396239	0	4184	3235	1971	0	2168	187938	35808	0	4417	12627	0	15731	0	0	0	0	0	24292	23485	2376	166544	10781	0	154907	0	0	0	26080	26497	0	0	0	149916	10926	0	0	188955	0	0	28264	0	Lipid	0.05263158	2.0	0.10526316
16	C19 H38 O1 N2	311.3057	311.30618	0.07417918	311.30573	0	0	0	0	0	0	0	30978	0	0	0	0	0	0	8928	281830	32495	0	0	0	0	0	0	9152	74950	0	1389	4442	16627	4734	2286	0	0	2238	0	32779	7332	0	0	0	0	0	0	0	0	0	0	0	4254	63937	0	0	0	0	0	0	0	1972	0	0	7451	0	0	0	0	0	0	1266	0	0	0	0	0	6768	0	0	0	0	0	0	0	0	0	0	0	1305	0	0	0	25962	0	0	0	0	0	0	0	0	0	0	0	2693	0	0	0	17103	0	0	0	0	Lipid	0.05263158	2.0	0.10526316
2	C14 H5 O6 N3	312.02512	312.02557	-0.13476163	312.02505	3760	3433	1913	2033	1198	21368	579	4249	266	567	0	3341	3135	872	1815	0	727	4887	1378	0	1002	1196	1516	2244	952	0	0	0	4732	2559	5808	3533	3990	6495	1031	3776	4198	1624	742	262	0	0	987	0	0	1164	0	0	3619	2408	2814	2213	760	0	0	0	438	2000	349	0	0	0	818	412	0	5132	1062	0	0	0	0	8185	7592	4402	0	5325	0	2703	794	0	734	0	0	0	0	297	463	4917	2577	0	0	0	901	0	0	0	3173	1432	0	0	0	1397	2477	403	0	1892	0	0	831	2632	Unclassified	0.42857143	0.35714287	0.21428572
24	C12 H9 O9 N1	312.035	312.03537	0.14513268	312.03506	2447	3242	4270	1766	6484	11615	2306	5646	4315	0	0	12559	4759	6940	13429	9466	7930	10021	14035	0	0	0	15102	9180	0	0	2516	0	7479	4759	3765	7342	3170	5807	0	7001	2649	8596	4577	0	0	21364	0	0	0	0	0	0	4485	3302	1364	3012	7124	0	3414	3016	9072	4626	0	0	10329	0	3846	5008	12108	3317	10103	9592	0	0	0	4050	5119	0	7616	4837	0	9233	9629	0	12229	0	0	0	3915	8383	8505	11397	29387	2368	0	0	4748	0	0	0	3931	4242	4964	1474	3758	6477	6937	0	0	4912	3633	0	4068	4840	Phytochemical	0.75	0.75	0.083333336
10	C13 H13 O6 N1 S1	312.05365	312.05417	0.24948992	312.0537	8007	5999	5003	5379	6397	2573	1155	0	3959	11581	11333	0	9961	2162	969	5137	2377	8238	8022	6717	7908	23614	2474	3385	1293	4021	1658	3394	1437	1223	0	0	2778	1264	10351	991	5328	1812	4462	14530	30851	2093	0	0	0	6042	11985	0	1395	1330	7660	5371	5002	0	7008	5633	3189	3515	2690	6978	0	16091	7864	4832	1014	6268	2260	4754	7948	5707	14439	1214	1514	0	2864	858	0	1358	2503	8083	2844	5060	3031	5152	4788	2286	2954	3375	2319	4104	7836	13349	7096	17649	23840	0	6120	5969	3916	5502	4923	4244	0	6188	0	3834	5220	0	1604	14658	Organosulfur	0.46153846	1.0	0.07692308
14	C13 H13 O6 N1 S1	312.05365	312.0541	0.22770254	312.0537	9307	10102	5421	6494	11254	6761	4161	0	5009	12911	8143	3890	14801	2306	3961	3670	4598	15768	8154	5539	9234	23880	1781	8025	4430	1976	4036	0	2458	2844	1573	0	10400	4799	15975	2766	6174	3419	7090	17612	12967	7755	0	0	0	7633	10560	0	3776	2161	11570	4685	8469	0	8371	5977	3176	9313	0	12460	0	10808	9232	8767	2738	11132	3409	5651	0	5764	7537	1910	2834	1903	3781	2363	0	2732	5803	25628	3155	4171	6515	5985	5939	2449	9529	6071	6160	15468	21553	28185	12241	19498	23536	0	7436	10666	4832	7200	3195	10696	3782	8677	0	8443	5309	0	4925	11830	Organosulfur	0.46153846	1.0	0.07692308
12	C13 H13 O6 N1 S1	312.05365	312.05414	0.24475281	312.0537	7526	8878	6576	8961	9101	5842	3753	0	10293	12709	8823	2081	16767	2079	1706	6653	5889	13553	10558	5378	11185	33272	4900	6131	3131	3750	1799	0	0	0	3898	1688	4380	2127	16686	1813	7115	2359	7853	15330	30289	3306	0	0	0	7759	9048	0	2508	1434	6513	6139	8256	0	9893	9239	2826	8103	6328	11901	0	13596	11933	7472	1920	11856	3747	4252	0	9282	18664	1691	2075	1129	2897	1464	0	2414	4247	0	2646	5584	5807	8507	5514	3399	7152	5117	5819	12367	14589	25185	12409	33232	24184	0	8118	5394	4592	13046	9554	4494	1810	4456	0	5191	7401	0	3891	17945	Organosulfur	0.46153846	1.0	0.07692308
14	C13 H13 O8 N1	312.07138	312.07187	0.21263526	312.07147	26218	26539	23337	27745	51777	34008	10101	15567	45068	16995	20238	20197	68439	20628	12856	20838	23894	87698	62778	7059	19313	43020	30200	17539	6773	0	6912	0	13124	13342	13031	12198	37558	11199	31196	10758	31062	15167	18602	10777	23373	37613	0	0	305	9039	11745	593	12942	9442	20919	28215	44111	264	54033	35207	27481	23628	10341	13969	0	11669	91870	66908	19370	65634	33250	20415	0	2059	3902	13126	10425	8182	16057	10099	373	16909	22373	14638	15102	6498	3366	1414	33591	17617	21272	38438	48268	41974	11295	23510	43309	31140	15714	515	21200	23812	25117	39465	33537	29896	16181	11600	0	37531	24957	0	9233	109554	Phytochemical	0.61538464	1.0	0.07692308
6	C13 H13 O8 N1	312.07138	312.07196	0.21472463	312.07147	14530	11371	11137	13594	27078	8085	3732	4111	30527	10948	11192	6874	43940	7200	4206	6281	7568	31878	31792	8311	15180	14723	7915	6348	1617	592	2762	0	5202	3988	5027	5657	13154	3751	16498	4398	8747	4413	7862	6846	17570	12998	0	0	0	5902	8285	0	4650	3955	12309	10713	17391	256	35350	28004	11506	7713	3913	7213	8041	8478	58125	38416	8658	36948	14602	11274	3492	2311	4286	5710	4522	1639	4170	3636	0	4163	6233	0	5009	2116	2337	2130	25643	10707	4843	18297	14216	13646	3139	6488	11039	12102	10181	0	13564	12115	19889	31037	28187	7921	5238	5955	0	8469	17723	0	2347	67963	Phytochemical	0.61538464	1.0	0.07692308
8	C13 H13 O8 N1	312.07138	312.07193	0.2305162	312.07147	26600	29490	18800	27627	43472	20277	6114	9335	58353	24979	27194	15727	85808	13502	9777	14649	20640	53995	56282	18545	36483	38472	19422	13048	2746	931	8849	6274	7135	8411	10630	11874	19135	11741	34542	7552	24668	10250	20118	18633	45335	28056	629	0	0	9533	17235	0	13989	10269	22981	23925	31789	0	67659	48114	21797	16142	11653	21279	15568	18324	104861	84697	21564	61790	27522	25212	7430	5700	11866	8802	10030	4245	13005	9439	0	8967	17529	9429	9717	8343	4152	4522	40521	18244	14890	36280	27844	24968	0	14843	30076	38194	26231	0	25232	25793	37420	52950	47040	22942	11830	12770	8805	19022	34773	0	8659	111461	Phytochemical	0.61538464	1.0	0.07692308
12	C13 H13 O8 N1	312.07138	312.0719	0.2075901	312.07147	29243	27212	24186	25336	53772	31269	12190	17177	59810	32152	33759	16020	82024	19795	16596	18279	26891	89621	75047	13509	32691	56584	26169	21596	6606	1274	6215	0	14276	8434	14098	13781	30630	11164	39918	9749	30639	18255	28319	15735	36031	38242	817	0	449	12471	18135	527	15581	12043	30410	32343	49953	397	78006	44164	21949	22778	11003	21734	16599	18452	113330	74586	18811	65110	38290	30244	0	3222	10288	17105	11530	7869	17787	9131	275	16868	19720	19754	16152	6695	6539	3471	38853	18917	20496	35868	42153	36245	8504	25097	40341	52147	22342	409	32388	29203	39905	41875	40232	30211	18355	17592	0	28248	33837	0	8457	140973	Phytochemical	0.61538464	1.0	0.07692308
16	C13 H13 O8 N1	312.07138	312.07184	0.18634236	312.07144	11800	16975	13750	14891	30762	19951	4671	6886	32190	6060	12049	8427	48679	15849	10920	12155	13052	52534	41238	4677	10243	25063	21486	15854	2847	0	4426	3479	10849	7520	10239	9016	17033	9432	19094	4731	18398	10890	13361	4718	15792	21092	937	687	1013	3579	6269	719	13075	9448	11357	14322	23364	479	37342	21020	14874	12160	3112	5947	10880	6337	57834	35212	13535	34374	24898	10162	2802	0	2810	8669	7288	4453	10208	5233	480	10589	14339	10806	8049	3047	2175	0	22975	13665	16727	24377	27181	0	5742	9968	0	18673	9998	1161	17162	16606	15623	18974	16306	23078	8616	4558	0	23158	18065	665	5562	77074	Phytochemical	0.61538464	1.0	0.07692308
18	C17 H13 O5 N1	312.08664	312.08707	0.21504128	312.08673	17377	12771	14478	7924	11957	8800	6313	4137	8265	24310	33260	5615	4536	8371	7562	8910	12485	8166	13918	25373	34210	33872	6070	8758	6761	49990	6214	19031	6233	3645	5350	4077	11793	5507	28483	4235	11427	5482	13606	30596	55411	10386	816	298	473	13433	27179	380	5829	3575	9785	13923	6803	385	5373	10137	5304	10293	6230	16046	10794	21190	10579	9772	6050	8307	10068	15200	52506	48527	87826	3835	3552	0	5391	7078	375	4116	12880	43584	9832	17010	6005	23802	7664	4164	13575	14529	8232	19687	17589	13564	18162	35413	40900	603	12471	8454	5506	9601	9183	10448	6783	11782	13667	10563	5415	379	9686	9252	Phytochemical	0.29411766	0.7647059	0.05882353
20	C17 H13 O5 N1	312.08664	312.08707	0.185375	312.0867	9459	4797	7322	6996	4208	4419	4594	2110	2209	16156	18959	3469	3936	3912	3407	9313	9099	5305	6003	12125	16524	18866	4306	5958	2688	21606	3284	13391	4050	1964	3439	4595	6096	3290	15608	1872	4540	2827	10102	16461	34769	8443	1070	0	440	12981	19849	727	4188	3095	7377	7057	5506	429	4563	3120	4722	9174	3238	11869	2702	10448	5715	1660	3509	4642	8480	8895	27204	18537	49388	3721	2966	2644	4579	2326	358	3463	9478	32660	6701	7061	7189	13455	3617	3040	10541	7000	6900	14166	7242	10018	9777	31968	24338	0	6169	7260	3469	5513	5808	8659	3105	7461	11031	7189	5241	0	4861	5703	Phytochemical	0.29411766	0.7647059	0.05882353
16	C17 H13 O5 N1	312.08664	312.0871	0.2623771	312.08673	17057	12472	13882	14670	12131	6359	5657	3249	14790	35800	34224	5144	12275	9210	3577	8214	9948	17444	14075	17909	29958	32858	5724	12051	3782	51150	6543	22832	5808	3922	6879	5404	11262	8626	38910	3771	5521	4924	11679	24765	51657	8605	732	411	536	12431	28341	544	7438	5780	14979	14044	10107	455	8874	9419	7367	10979	2534	11767	7541	18221	16997	8652	4261	17714	9633	14517	57266	54980	95040	4677	5292	0	7202	5791	267	2876	14088	40880	8840	12393	3838	26537	14647	7621	11562	12632	9937	0	12770	14706	0	40702	47826	588	15249	12747	10272	10644	13475	9861	3661	9596	5646	0	6138	391	7052	20112	Phytochemical	0.29411766	0.7647059	0.05882353
10	C17 H13 O5 N1	312.08664	312.08716	0.2913678	312.08673	13632	10498	10605	8245	6687	8272	8281	7805	4913	13026	15247	5098	7125	3402	9217	16287	13383	7814	12915	12659	20098	14038	16385	16582	12761	28250	5393	9133	5726	4346	6539	5906	7784	7231	16136	4806	10786	10428	14197	11692	18755	10854	484	0	0	9296	15441	0	6797	5209	10918	14365	7849	0	7744	5360	6086	14398	0	8163	17665	5638	6661	5514	5754	9568	7882	15287	28544	30124	48992	4996	2759	1464	4408	4093	0	5653	31323	13552	14961	4870	1785	7712	6605	4093	31853	16112	10264	92572	3240	3435	53148	15178	16744	0	13501	9004	5227	6389	6668	10356	5376	5644	0	23042	5702	0	18856	5745	Phytochemical	0.29411766	0.7647059	0.05882353
14	C17 H13 O5 N1	312.08664	312.08713	0.2661057	312.08673	10659	8821	9901	9357	9006	4718	4063	2814	10731	23243	21624	3579	9674	3952	3400	4190	5439	14577	10191	16430	30457	16525	6967	8831	4631	51239	5009	16273	3660	2685	2537	0	7171	4721	30031	2681	5165	7216	10980	18854	34778	6971	0	0	0	12345	25346	0	4825	3669	8297	8637	10325	0	7581	10598	3511	8040	0	6823	0	16651	14329	7277	4326	11149	5771	8889	35441	48487	73382	4519	1608	0	3008	3627	0	3195	9784	27551	9913	11180	3822	15337	9646	3427	10550	6338	6580	16344	10938	11139	13089	27788	29715	541	11718	11750	6913	9696	5341	3905	3791	7087	0	4206	4831	0	6503	9652	Phytochemical	0.29411766	0.7647059	0.05882353
12	C17 H13 O5 N1	312.08664	312.08716	0.2679138	312.08673	7038	6728	7605	5648	5060	3184	4299	3121	5936	19308	16766	1880	7003	3781	3217	3817	5188	6666	9771	13383	21877	9416	6863	4009	3468	34577	3355	9648	3218	3373	3268	2310	6184	2912	21594	3399	2870	3824	4796	13508	26596	2779	433	0	262	11110	16102	0	2882	2267	7087	7133	5214	0	6886	4591	4591	4609	0	0	0	7795	7899	5989	3405	3834	4912	4298	34580	48521	68542	2000	1522	1375	3914	2914	0	2156	8906	0	5237	6165	2533	10599	8623	4729	8348	4615	5381	16997	5171	6019	10062	12107	19713	0	6406	6040	5554	8389	5949	4087	2380	0	0	6169	5591	0	4698	6749	Phytochemical	0.29411766	0.7647059	0.05882353
18	C14 H17 O5 N1 S1	312.09003	312.09048	0.20239185	312.0901	6768	9404	6325	9864	9908	9599	5325	3236	4098	13915	8449	1847	8810	2352	1884	4669	3646	9216	6387	12752	11586	32166	2650	7816	3599	6059	2933	10648	3373	1942	2729	3105	7694	0	20770	1806	6372	3742	4732	30678	31603	2425	0	0	0	7774	13751	0	3329	2229	7820	6265	5110	0	3676	4269	3455	8418	9123	9822	3724	17668	4006	5124	946	8645	5302	5099	7368	11376	12878	4246	2417	0	2932	0	0	2016	4978	17178	2903	9249	5904	16365	3740	4070	4098	5972	4323	7313	37223	31716	8697	22374	31306	0	12573	7327	2963	2174	3443	4389	0	12459	9752	6919	5395	0	4666	4928	Organosulfur	0.35714287	1.2142857	0.071428575
4	C14 H17 O7 N1	312.1078	312.10837	0.18344547	312.10785	42205	52162	39384	42737	45119	26462	17927	37001	60599	47513	48909	28581	94143	22460	23315	42353	53638	69810	71716	51765	72722	65877	34714	46156	13089	17235	18873	15766	28122	29312	31292	30445	47137	52956	67584	32323	44439	24499	64533	50892	75458	43976	2034	837	1460	38500	64021	1252	38853	33690	43503	40604	42067	1360	77137	78507	29063	40678	34185	50391	43321	33441	193320	72596	29473	60893	35473	50333	34619	23492	38526	28895	26560	27352	13675	29156	828	22316	28626	21832	23962	21298	21475	18019	65478	34986	24335	48787	47153	55552	22123	34209	58046	34213	39756	2732	37418	48734	44793	85640	78933	43803	25992	51908	31390	39224	48504	1129	18382	227764	Phytochemical	0.5	1.2142857	0.071428575
8	C14 H17 O7 N1	312.1078	312.1083	0.14768314	312.10782	368262	410808	304030	399832	327911	240239	177914	284500	458881	557442	397569	238293	538644	130209	223772	389949	374202	535614	571065	555660	649476	637966	267408	330461	118280	161181	197396	221696	282006	247975	257279	318303	409116	297423	772257	263651	418722	204518	456734	592228	807770	308537	6325	1336	1756	362201	473761	1280	328364	268644	385203	395936	320140	2047	643041	341885	218786	311275	305885	372326	353803	446853	569379	531172	173628	418037	287375	397018	335675	334804	488188	286840	300634	239384	251591	298401	1180	201960	231948	222895	183475	236041	211872	237110	304298	187531	239677	311120	353320	402619	192620	364553	453842	417828	476001	2399	385887	386834	281092	331792	308960	408188	212744	403771	217544	329040	311032	1008	151676	681334	Phytochemical	0.5	1.2142857	0.071428575
14	C14 H17 O7 N1	312.1078	312.10825	0.192304	312.10785	283441	270278	251023	271883	260438	234158	182562	269632	285516	279445	182978	181138	446799	148976	217227	292747	239171	469531	419433	227700	261184	388193	207724	278466	176953	70635	164308	113837	240667	222769	227536	282257	349115	251536	339300	254703	350167	179868	235040	295260	282480	220278	6569	2362	1923	176641	154484	2541	263036	215844	268225	245739	274396	2722	449268	209667	160956	343131	188222	173912	283348	201652	358759	330444	124606	364776	221455	220036	139333	132440	146886	224292	225234	205682	198334	228365	1777	192264	187405	194467	174970	110912	136029	119671	195754	158909	211034	247284	298521	286630	241544	326710	393550	210723	280602	4134	268361	247798	156704	205303	208784	330125	173075	246801	132950	295943	186868	2199	153686	465070	Phytochemical	0.5	1.2142857	0.071428575
6	C14 H17 O7 N1	312.1078	312.10834	0.17458272	312.10782	184045	193950	171442	181321	179835	106603	79429	147177	226673	249897	197230	110100	346326	67507	100340	186597	180233	291162	286201	232277	340343	283874	126345	176655	48742	67694	80197	90876	130675	122849	125567	146957	216467	140204	317211	132086	195434	96866	227579	182833	367649	144480	3284	875	898	161686	257165	954	171923	132409	187280	182771	165954	1724	284920	265778	108220	179336	138047	214397	165890	167628	326525	233753	79015	225159	153192	237689	152811	139533	218670	125240	133695	114834	98419	117982	832	86376	103454	86586	84690	102360	93361	85591	184098	112105	113509	167395	163609	227318	77593	153882	225944	192388	220350	1552	180970	183310	127647	178772	206350	217735	107448	196747	123784	171142	160265	930	70813	413313	Phytochemical	0.5	1.2142857	0.071428575
2	C14 H17 O7 N1	312.1078	312.10843	0.24289978	312.10785	15099	16575	11750	16177	27483	17472	6371	12537	26567	12631	12154	10903	58155	12795	8873	3391	10662	34029	28630	12271	27552	24012	11340	12607	5083	3496	1698	8602	12726	7235	12887	14263	24384	13825	20324	10556	16565	7187	12827	15771	16943	16028	796	773	1299	9379	9441	545	11266	7519	13738	15387	22079	1006	31460	24722	12157	16375	8211	9429	6811	7504	110700	33615	10728	40230	20060	14117	8148	8630	10010	10762	14456	10352	1519	13119	612	8380	9522	3234	7279	5090	5352	4996	23121	9887	8592	21888	22340	16747	8866	15627	21321	10107	4976	1639	16526	14403	15873	31460	29093	11626	9530	11496	7558	17239	14716	653	7080	67334	Phytochemical	0.5	1.2142857	0.071428575
12	C14 H17 O7 N1	312.1078	312.10828	0.15463565	312.10782	527252	581754	543708	549457	466904	364751	346987	443492	537297	664776	402293	301135	594704	187001	308088	573808	547150	813358	843623	622296	693199	782185	361313	529110	220232	160945	287162	280199	499945	437746	442083	564330	700458	528303	842027	472484	693365	310971	641024	703361	695442	418669	9039	2658	2790	366367	350224	2479	582213	392847	572307	549392	482076	3272	803914	338987	263992	611223	378623	355674	554504	515184	680743	604610	202563	620712	391275	577197	312488	342730	397737	421812	459129	427065	490595	466429	1560	336239	326699	296725	268809	243208	249601	278006	332916	251127	351610	430035	484332	588152	469618	628052	688459	438867	557087	4871	586458	574242	326458	310143	304371	681426	317122	441773	232655	534539	375126	2495	249977	1027634	Phytochemical	0.5	1.2142857	0.071428575
10	C14 H17 O7 N1	312.1078	312.10828	0.16381441	312.10782	548668	501882	494668	463575	460905	380667	258998	418800	556610	824839	494409	319224	752124	193985	298978	500339	437162	793517	732467	784104	896170	787535	344473	428436	205633	227290	297088	319481	415622	377910	365515	453306	646524	436875	1003702	400783	648295	276870	543900	880032	945377	373106	11717	2172	2856	422970	470562	2933	444518	359957	524556	532957	448592	3956	876438	410700	224444	551690	435368	452041	522436	601698	616485	642139	202521	586487	360612	521264	438727	484120	574925	392158	372973	363166	397877	382827	2621	279639	317611	325808	258606	300932	296504	336131	383585	262667	322428	381654	431203	468128	338025	542856	571881	583985	763083	4373	525546	541802	330438	355913	355239	584754	295860	540691	278057	432864	384314	2338	231751	915699	Phytochemical	0.5	1.2142857	0.071428575
16	C8 H17 O8 N5	312.115	312.1149	-0.31824243	312.1149	2316	2709	1455	0	289630	190624	94707	130020	261927	210984	110550	87413	335748	118354	0	479342	102012	1599806	0	246330	197444	167912	141084	119118	94562	118160	0	84130	0	111340	0	2155290	200932	2906	264040	0	0	0	2073	94966	124902	133786	342920	0	3980	111362	82948	0	125357	0	0	163704	1419	0	369106	192230	0	157245	140080	0	131266	131136	294868	271331	79652	245803	163692	101626	0	234176	173290	0	124770	111880	89482	1883	2652	89660	145594	0	104582	75378	104796	0	183228	118706	147077	1247	148590	93054	151983	169280	0	106976	0	4896	0	0	158944	0	1361	165420	94658	140148	58584	109648	162348	2914	0	377160	Peptide	1.0	2.125	0.625
10	C13 H17 O6 N3	312.11902	312.11945	-0.004193766	312.11902	15753	14351	11153	12347	11558	7635	10020	15752	12865	8757	6279	11642	13280	5160	15420	18597	20234	18797	19214	7344	9812	25550	17639	21497	11398	2237	12694	6260	14258	12495	13087	14524	18683	11034	12098	12644	19070	15835	21733	10733	12359	9552	0	0	0	10151	10684	0	16131	14163	13443	12840	11460	0	19317	8133	8650	15352	12861	13276	26943	7953	16365	15124	10261	14062	12087	19670	0	2794	5296	14227	10558	12929	13337	10913	0	11106	16952	10467	14465	8012	10675	3324	9888	7597	16858	12349	12482	31335	10299	18182	42327	8806	10158	0	12525	15148	6095	7066	7366	17978	11001	12581	0	22446	10638	0	16673	21000	Peptide	0.46153846	1.3076923	0.23076923
4	C13 H17 O6 N3	312.11902	312.11963	0.18176204	312.11908	23556	27399	22807	24477	18852	13043	10762	21385	28330	21365	18067	18704	27410	9344	18708	24867	40421	32454	31022	21152	31771	39390	25207	28044	10999	17318	13115	10358	13816	16871	18336	16536	25426	16205	32008	16751	24168	18384	57942	20823	30212	18337	0	0	0	22197	29974	0	20208	21935	26662	19332	19208	0	35195	21740	17329	20656	22701	28998	24651	17521	37784	25813	18973	23210	17503	45614	17045	16371	24945	17977	15376	16515	13013	13835	0	14772	20393	12365	16943	12886	10336	6976	33226	20089	18709	24715	22021	49485	17345	21352	56186	18309	17840	470	20806	30674	21229	23562	25082	25749	19923	25430	17612	25135	23471	0	13394	43640	Peptide	0.46153846	1.3076923	0.23076923
2	C13 H17 O6 N3	312.11902	312.11966	0.19277501	312.11908	29385	30583	20891	27902	29627	29604	12523	21291	36413	14083	18843	25271	47080	9912	17310	4068	34766	42476	44764	13713	33470	43594	24827	20397	5373	2239	2531	10114	23357	13012	24278	22738	41164	19337	29213	19283	32237	17762	38167	20318	35372	35268	0	0	0	11426	19140	0	22684	13640	24535	23711	32686	0	40454	21201	18751	26316	13793	25209	7627	13805	69224	44676	21338	47633	34268	43765	6160	6225	10574	19302	22035	15023	3392	17117	0	15920	20375	11712	15321	9390	9823	5586	29536	15926	21431	39589	37275	52422	14693	20923	55195	20635	2699	0	24369	23400	21395	29887	24942	22285	17861	16075	12989	33858	19714	0	15501	74395	Peptide	0.46153846	1.3076923	0.23076923
6	C13 H17 O6 N3	312.11902	312.11957	0.15616393	312.11905	39880	41423	35520	44409	24220	20484	24262	42778	32076	27968	21722	31075	35004	10551	35108	54810	49601	47013	49415	28515	39492	57118	36636	47644	17947	1970	21401	11953	29081	28046	36081	39638	52846	36190	39555	33301	47396	31877	58742	29026	44708	31768	0	0	0	30653	38412	0	44996	33177	41158	36892	29667	0	43734	20227	20940	43761	35891	39506	48030	26392	38371	31653	22542	37084	32473	69160	6466	7931	13485	32075	28969	25972	23056	26472	0	22057	30841	13884	27748	18405	18662	8987	31277	25836	37280	37363	34410	82300	21155	37662	88149	27203	23748	0	40816	39392	16084	19145	19539	52550	30365	39032	20108	56579	25328	0	23327	56426	Peptide	0.46153846	1.3076923	0.23076923
8	C13 H17 O6 N3	312.11902	312.1195	0.071974166	312.11905	24806	29165	23663	25549	18725	15937	18369	28937	25153	14580	15610	23839	25335	9922	26175	37323	39383	34327	36157	21880	24867	40701	27127	40419	19226	1827	19854	9740	23913	22505	25057	26782	30594	26532	28178	27202	34537	27079	44942	20515	28439	22755	0	0	0	25057	21144	0	27693	24978	24728	28810	22143	0	30961	11909	17964	31116	25106	26767	35233	18451	28161	25719	18976	24270	22745	38888	5539	4801	9428	23218	23869	18092	23055	21687	0	19087	28885	8267	21316	13362	18003	7685	17856	15437	28988	27981	22733	56360	18497	33039	65121	19218	16846	0	31668	29944	15935	16029	16968	31110	22148	29147	0	37431	18551	0	19303	37507	Peptide	0.46153846	1.3076923	0.23076923
0	C13 H17 O6 N3	312.11902	312.11966	0.0433098	312.11902	5560	7702	7205	7279	6954	0	1968	10977	8945	3030	1361	4268	13828	4222	3013	0	4059	15738	12869	4268	7819	10074	5548	10116	4067	0	0	0	11988	4597	9596	10347	12290	7964	6079	9207	12825	3333	6326	3606	4174	12991	0	0	0	5056	0	0	10395	6339	8557	5722	11352	0	11007	5353	3218	13324	2697	2498	2635	1672	19118	10858	7173	13100	16250	6833	774	1887	1540	7085	8496	5815	0	9540	0	3593	3982	1012	2879	1133	1639	0	4963	3212	3803	9686	11774	6709	4125	5031	16413	2749	0	0	6379	7029	4454	4669	3912	7453	3441	6001	1367	14055	5225	0	3386	24689	Peptide	0.46153846	1.3076923	0.23076923
16	C18 H17 O4 N1	312.12305	312.12347	0.16700645	312.12308	23575	23076	24141	21794	15234	11666	9721	10777	13917	69751	71450	7928	8371	9337	8003	18950	14973	15503	20654	51261	68560	33288	12927	18153	8829	123500	8376	67414	9465	11653	8515	8803	18237	10214	55990	8419	12856	4583	15857	58664	88262	10479	399	0	505	30313	34907	738	15736	11477	25092	28086	13329	0	7083	7929	7692	17286	5061	20318	15350	28288	9100	9503	8593	14297	12243	19793	127313	133684	197675	9459	8101	6043	11291	9659	421	5304	14945	56851	11655	17544	10507	44574	11303	9598	19150	12470	11630	33366	22864	23677	32168	47414	59294	581	23037	24459	9874	8331	11929	17411	5941	13910	13197	13919	7751	0	13654	9931	Phytochemical	0.22222222	0.9444444	0.055555556
8	C18 H17 O4 N1	312.12305	312.12357	0.1794934	312.12308	17599	16817	13581	13898	9572	9909	5034	10238	10735	57246	45221	5747	6955	8009	5691	13202	10793	10628	15379	54570	59203	13368	8169	11737	8160	93457	7035	38683	6909	6762	6829	6954	13850	8672	46777	6855	13154	5843	13177	30138	33614	8138	0	0	0	23576	35443	0	11958	7440	14672	15588	7805	0	8601	6252	5470	12559	1540	3867	13792	16074	9459	9434	3615	8329	8045	11164	77213	101920	135365	7951	6341	5563	9329	7216	0	5482	11641	17472	7934	6495	2663	21048	7710	4293	11510	8380	9078	21204	10806	0	18621	24013	41070	487	15540	16535	9170	7069	6013	10751	4880	10179	14636	11004	7197	0	7433	8163	Phytochemical	0.22222222	0.9444444	0.055555556
20	C18 H17 O4 N1	312.12305	312.12344	0.2228983	312.1231	14711	17941	18537	17832	12349	10381	5860	8157	8156	36701	47330	4918	4099	11519	6520	10818	11531	9536	10462	29647	38420	20417	6602	15805	5709	104156	6252	45539	8295	7704	6011	6633	10619	9337	26328	4697	10963	3806	9435	31807	65505	12224	2377	773	563	18433	27676	678	9051	5816	18882	15472	8976	1044	5286	4175	6618	10439	5528	13200	8493	21560	10049	3947	4414	7518	10487	10434	81452	73626	117232	5460	3909	3780	5230	6401	655	4986	8467	38294	6846	17208	9553	31703	7307	4937	12447	11517	10296	22808	16374	19290	22265	32458	23235	1127	18375	16898	7175	4811	9676	9770	7922	14327	11125	10609	7612	752	10314	6253	Phytochemical	0.22222222	0.9444444	0.055555556
18	C18 H17 O4 N1	312.12305	312.12344	0.2159899	312.1231	25973	27461	25698	19700	14177	10356	10520	10265	7504	58080	70970	8022	7470	12648	6028	17449	14385	10816	13614	61257	70532	38594	10223	14944	11280	136513	5222	68694	8480	6440	7075	7088	14635	8101	62109	8827	18052	6809	14948	53325	92715	12345	614	0	430	19995	33674	544	11043	10694	24661	25324	12593	0	10594	9040	8169	14736	7439	20132	16136	37974	12309	6805	8708	12681	13949	21568	128951	128000	203945	11443	8494	5372	6583	8556	0	8842	13944	49769	10387	21140	9121	42147	11235	9240	13677	16895	12269	30442	31813	30145	21191	46482	52156	602	21928	19443	11510	5758	8035	19739	6333	16256	18144	12948	8810	578	11990	12222	Phytochemical	0.22222222	0.9444444	0.055555556
6	C18 H17 O4 N1	312.12305	312.1236	0.1843721	312.12308	7449	7865	7385	6656	5452	4582	2732	3728	4624	21327	18480	2560	4700	4291	3023	7565	5050	4733	5904	22730	33122	8018	4423	6969	3906	45213	2984	17016	4063	3176	2985	2985	5311	4224	20360	3199	5892	3164	4316	12087	14713	2664	0	0	0	12149	17821	0	4004	3523	6490	6868	3635	0	5751	2651	3016	4748	0	1792	4718	5647	4091	3557	2585	4745	6315	6556	33234	50116	62750	3552	2829	2027	2947	4142	0	3376	5698	12650	3227	4467	1872	11046	4671	2359	7091	3615	4294	7936	12682	3669	8397	11261	19823	0	6435	7691	4269	3971	3663	5037	2045	4175	0	5018	3697	0	3885	4374	Phytochemical	0.22222222	0.9444444	0.055555556
14	C18 H17 O4 N1	312.12305	312.12347	0.1619672	312.12308	16136	22650	18952	17903	9792	10837	8490	10730	8884	46878	39719	6200	6876	7959	9742	17992	15995	12866	17493	51256	64482	26037	7249	9877	8519	112202	10430	45994	6305	6988	9539	6433	13538	8898	47839	6790	12996	8647	17449	50087	56359	11721	0	0	0	17721	31193	0	10788	9193	17532	18193	10836	0	8693	4622	6183	11173	0	14114	0	21217	11250	7836	6093	12201	11285	14531	89004	121855	166136	7161	6135	5169	9981	10627	0	6295	14945	25890	7673	14928	8610	30608	8101	6320	17568	10653	10443	37783	27893	16606	23537	29423	45617	0	14552	24677	8264	6246	6685	9216	6488	13747	0	13359	9617	0	11503	6683	Phytochemical	0.22222222	0.9444444	0.055555556
12	C18 H17 O4 N1	312.12305	312.12347	0.09935767	312.12308	16581	16163	24075	15332	13526	9147	5711	12704	11931	50289	59092	6600	7420	8079	6549	11173	19044	11491	15180	63895	66167	13253	9078	14224	6169	106829	7386	41063	8720	8693	7929	7797	14867	9557	49562	7739	14360	8565	16603	43106	52550	9352	297	0	0	29004	30790	0	12286	10162	18463	16865	10859	0	10823	5060	7581	13062	0	12778	0	14292	9509	6572	4806	10515	8261	15717	82444	111881	162644	6907	8536	6026	9702	8623	0	8360	13342	27139	8853	10464	4776	30808	7675	5887	11964	11372	12162	33683	16594	15110	20443	28316	34528	0	17033	19268	8583	5974	5680	10056	7084	8274	0	18899	7566	0	10340	7784	Phytochemical	0.22222222	0.9444444	0.055555556
22	C18 H17 O4 N1	312.12305	312.12347	0.20411877	312.1231	5983	7735	5794	5058	5179	3100	2660	5138	2631	11896	21944	2767	3377	0	1181	5032	6373	0	5169	12038	14782	9284	2570	4422	3089	32388	2062	20886	2394	2470	2331	0	4801	1461	3022	4789	4537	2299	5996	14558	33107	2212	0	0	385	5918	12426	0	2988	3256	3477	7280	3067	380	1496	2021	1245	4248	1283	4025	6011	9986	2587	3453	2479	4672	3831	5308	32803	25193	42075	2951	0	1235	3238	1719	275	2069	4945	19480	3396	11594	2702	13730	3128	2204	4620	4373	4833	8387	4913	8046	5145	14609	12697	0	4081	3298	5024	5108	4645	5123	2302	4184	6974	5620	3275	0	4276	3637	Phytochemical	0.22222222	0.9444444	0.055555556
10	C18 H17 O4 N1	312.12305	312.1235	0.14027274	312.12308	20087	18399	16824	17270	11558	10070	6374	13022	8851	72590	64496	8536	9919	8277	7485	14319	10304	10354	18558	81733	89086	17247	9938	15367	8215	130185	8055	64105	9117	7162	6398	8975	14479	10128	61559	9796	12991	6810	15390	42708	50649	8432	0	0	0	25203	33273	0	10880	10597	17455	19810	11356	0	7791	6982	5452	13261	0	9079	13529	16280	6370	8868	5293	10526	11498	16862	91117	121668	160440	8513	8601	6305	7544	8583	0	6547	11253	29778	10005	8428	3314	26808	7802	4530	10086	11217	9218	24634	18804	8789	19442	27570	43963	0	19075	20886	8636	5408	7112	13705	6191	12532	0	14831	6801	0	9186	5371	Phytochemical	0.22222222	0.9444444	0.055555556
10	C11 H21 O9 N1	312.1289	312.1294	0.14487627	312.12897	7649	4155	5508	5883	160714	22550	0	0	28900	0	0	0	44757	188184	1550	0	0	16446	16028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1084	0	0	0	11056	913	660	649	0	0	784	0	0	3623	5801	81264	822	10743	55636	30503	0	0	0	0	0	0	5182	62886	16383	15637	0	0	0	0	0	0	0	0	0	705	0	0	0	0	0	0	0	45922	4205	0	2835	4089	0	0	0	0	0	0	0	6890	4514	46255	5535	5556	0	0	0	0	0	264644	596	0	5844	A-Sugar	0.8181818	1.9090909	0.09090909
0	C12 H17 O5 N5	312.13025	312.1309	0.03577019	312.13025	4165	3348	3263	3282	0	0	0	0	1884	0	0	1876	0	0	3322	0	6014	2759	3332	0	1316	4149	3422	0	0	0	0	0	0	0	0	0	12062	0	0	0	6263	3748	11849	0	0	2392	0	0	0	0	0	0	0	2582	3176	2712	0	0	1229	1144	1787	3002	576	909	0	0	0	0	4286	3489	4167	11821	0	0	0	0	0	0	0	0	0	0	1911	0	0	0	0	0	2136	2119	1969	0	3044	5145	0	1633	5563	0	0	0	3651	3399	2510	1437	2432	3003	0	0	0	23421	1522	0	1580	3872	Peptide	0.41666666	1.4166666	0.41666666
18	C15 H21 O6 N1	312.14417	312.1446	0.17626195	312.14423	113811	110202	122858	104034	142900	108286	83975	130971	92713	94288	79453	82357	193618	77838	88675	151736	132701	199474	190916	142375	128204	103862	113986	143937	84755	130831	80609	86047	143039	115042	99780	124552	153532	139578	99531	129277	167438	78534	122758	119287	147449	122439	7344	3611	4909	91213	102514	3654	129029	104536	125168	104281	119755	4808	174220	128442	85506	144443	75034	98709	125720	89648	119522	131011	68154	126973	105193	116406	106545	97450	132542	104692	99988	116002	112833	120187	4233	82171	103859	88093	77124	65701	78019	77535	154596	98370	105389	116971	111884	116425	131202	135286	175835	80099	128380	5555	128381	153381	102905	112678	158251	158556	68808	132179	50326	110708	123182	4177	81634	132539	Lipid	0.4	1.4	0.06666667
6	C15 H21 O6 N1	312.14417	312.14468	0.0746366	312.1442	428018	238033	212470	235338	124931	107065	222732	235692	315098	341126	171685	139136	206895	64054	320890	228111	345664	408922	229735	645132	413887	699312	315738	482144	188700	130346	242532	113191	631084	453098	407754	465622	298926	550920	918624	481058	272255	291718	466386	237220	324804	140407	2718	1480	2063	228478	274349	1678	639372	380984	232639	464000	139219	2405	418092	116171	163962	449730	385938	474090	420432	184211	198896	147853	82098	170069	295626	483534	169834	215110	271738	653650	409620	215642	141069	429242	1692	270322	261374	91795	227452	149564	329446	122671	118784	103192	280590	251576	353536	226276	149028	462226	268847	363164	521532	2182	216629	412792	87355	114718	125015	280140	147843	611226	133578	191173	221466	1481	199800	519992	Lipid	0.4	1.4	0.06666667
16	C15 H21 O6 N1	312.14417	312.1446	0.14057694	312.1442	1301764	1283672	1313636	1349120	1319636	1104940	1032132	1534652	1063940	1295280	885320	1004372	1513124	663940	1188944	1717054	1653128	2062852	2074564	1939548	1776136	1518406	1186440	1603052	1123696	1407896	960832	802944	1638432	1424304	1314364	1654492	2069476	1534132	1449560	1624336	2176736	914788	1532128	1664620	1567084	1198468	47044	20000	25292	1183220	1158416	21232	1764844	1438616	1436176	1347164	1271220	23684	1439812	1055000	768604	1671536	1075344	1203280	1668896	1046588	1096044	1179400	608876	1425816	1152664	1387840	1364528	1524728	1496740	1466916	1478456	1406132	1465832	1397306	15100	899614	1139652	1001276	806132	840576	1063092	1004364	1235848	837716	1189084	1282876	1227850	1509088	1443940	1717252	1881540	939176	1505656	25652	1270168	1497384	799460	932820	1223816	2079224	827304	1500372	614888	1374448	1152960	19584	993920	1525064	Lipid	0.4	1.4	0.06666667
4	C15 H21 O6 N1	312.14417	312.1447	0.11045016	312.1442	187524	213262	193062	99430	76426	229288	84742	184850	191978	167264	84640	120412	159308	41297	118954	161706	89401	238890	230030	182050	400530	182788	66466	189094	77944	56569	41197	50579	91147	165236	163284	87119	110034	72615	483568	182078	215146	112466	240326	153700	325942	95166	2580	1768	2223	106112	278048	1731	104419	175514	199342	175136	150008	2262	125135	174292	43600	87142	202942	236124	175482	103877	286530	99369	38285	109653	129658	96473	92631	92632	118536	144860	146760	86370	43638	160316	1418	107856	56135	53261	108366	136900	69341	104490	77303	99182	103340	119222	156270	161434	91719	241178	231552	97723	138606	4346	193298	115049	61282	204938	190222	204804	114408	146586	77516	79262	65476	1861	38856	175438	Lipid	0.4	1.4	0.06666667
0	C15 H21 O6 N1	312.14417	312.1448	0.046270452	312.14417	14882	18100	14999	13602	12248	62585	6335	19097	15777	13929	8310	9697	18776	7468	8350	4373	10955	22634	24205	13431	29282	21943	13823	14030	5631	7227	2342	7484	22042	8333	15657	14594	30195	20311	24894	17466	23091	8482	14001	14716	15215	26946	1934	1266	2144	10883	8246	1003	20588	12720	13559	13517	20662	991	15511	12850	7802	23591	10848	11587	7793	7275	19499	17475	13212	18934	26392	17761	7456	10270	8657	17390	22174	14451	3158	18409	1918	9868	7709	10156	6253	5242	7451	4255	11500	9743	6851	12371	16516	12088	13097	15258	20307	11197	5330	1401	12475	13699	9659	11568	12377	13321	8021	14544	7325	20695	14903	963	5570	28163	Lipid	0.4	1.4	0.06666667
2	C15 H21 O6 N1	312.14417	312.14474	0.15355779	312.14423	97735	176806	152774	168882	83388	82372	37837	161388	185256	144908	93588	130710	166769	39996	91640	34513	138210	244886	112799	118736	405728	155664	54610	123340	47096	28126	17113	58340	219630	112314	165488	164500	252266	164502	422098	152148	208802	83710	160236	254508	286858	67027	1484	1505	1869	61870	73428	1514	92532	46443	158290	164450	161956	1765	111716	154274	70876	160738	108680	154384	85782	67173	153775	106881	33874	237088	83036	202904	56431	161054	200390	78363	180132	140958	22673	154642	1574	94816	89712	78174	78090	40985	38111	69860	69735	66490	84802	147278	183046	178044	129192	102339	190282	87344	69345	2444	84879	172212	105934	162634	75731	153252	130702	179964	92444	154906	110446	927	31018	178890	Lipid	0.4	1.4	0.06666667
12	C15 H21 O6 N1	312.14417	312.14462	0.07497244	312.1442	692717	802010	788225	793394	524190	429447	615331	825759	528867	1076185	493769	397973	552816	242205	533514	916561	676751	930491	962877	1505703	1337385	1155458	581422	826670	533798	902397	480818	458173	900199	705694	680293	876621	976317	835124	1268402	799443	1047614	474831	766089	1115559	813683	597871	15391	4110	4267	785544	665105	3918	923637	700580	822594	771275	573677	5270	924367	433519	353831	939186	681196	578887	793973	647115	597513	582344	270004	596616	482951	662643	865639	1162259	1016943	686489	717970	761663	692586	772247	2794	508221	494784	457133	434028	568637	617366	568908	463704	391819	585357	488313	579614	758824	951230	1155144	1067547	531938	1004268	8393	793288	891078	397142	380240	457734	1031145	480836	861366	368980	732250	502914	3684	468872	777443	Lipid	0.4	1.4	0.06666667
20	C15 H21 O6 N1	312.14417	312.14456	0.20188606	312.14423	35575	26526	32209	26395	38147	38074	19574	41080	31003	21340	19400	26024	47952	25796	32611	43741	47211	52951	52826	32290	37338	33381	37509	43134	26404	28026	24743	19894	56166	34769	30026	37476	43776	44977	18429	42409	47272	22283	37555	34216	36952	35850	6116	5055	5678	23781	25080	6230	52749	32718	31702	31700	35653	3801	40856	37847	24569	46205	22638	30354	44119	21165	35176	37577	20347	48070	31564	36533	31767	17944	30887	38001	33671	33863	43531	39978	5385	24661	35162	21110	23326	15704	19564	25479	46499	23551	33641	33067	37030	35887	26723	35310	51315	22642	28832	4939	31282	44532	28208	37645	46448	43758	22110	44208	16041	35347	36324	6143	21066	36963	Lipid	0.4	1.4	0.06666667
10	C19 H21 O3 N1	312.15942	312.15985	0.038588334	312.15942	7167	9766	7764	5891	2874	4399	2430	8295	2560	29456	24389	2928	1824	4841	3449	11429	4889	3719	5287	35083	33287	4266	4067	8949	2430	56695	5057	22798	3581	3242	3344	6702	10065	5441	24149	4323	9034	4123	7150	12433	12435	4220	0	0	0	9313	11807	0	5116	4538	9274	7404	3865	0	1265	0	1972	8928	0	2117	0	6778	2378	1257	1015	2321	2996	8172	40087	50533	62320	5325	5703	3759	5112	3078	0	3332	3553	7814	5134	1371	0	13683	2265	1320	4385	5294	3664	12615	8614	0	10362	8998	21287	0	8355	9919	1602	0	0	11292	3055	0	0	6565	851	0	4813	1463	Phytochemical	0.15789473	1.1052631	0.05263158
14	C19 H21 O3 N1	312.15942	312.15982	0.07390954	312.15945	15834	11814	10550	11630	5936	5120	3782	6640	0	31848	31724	2518	0	4818	3364	8024	6174	3958	7138	44790	37926	0	3834	7296	7468	85522	3630	35710	5022	6568	5172	0	6082	9274	28986	5750	7888	7126	10040	18996	29494	4026	0	0	0	12956	15644	0	11636	5008	5756	6300	5550	0	0	0	3342	5612	0	0	0	9386	0	0	4090	3368	6292	13218	65360	64838	90908	4684	5406	4796	3250	5814	0	3596	6150	0	4558	4166	4626	17508	4302	0	7968	10398	6822	22586	18072	0	10910	14040	25344	0	7628	10876	2544	0	2734	8958	5118	4222	0	8036	0	0	11128	4900	Phytochemical	0.15789473	1.1052631	0.05263158
24	C19 H21 O3 N1	312.15942	312.1598	0.20529202	312.1595	4067	5503	1997	2248	3295	1539	0	1772	1462	2006	13650	2429	0	1837	2064	2386	5603	1909	1689	7401	5210	3202	2131	7588	0	19893	1254	10351	2344	2631	2738	2268	3267	2169	2694	2751	2438	1112	8218	7540	13649	2032	0	0	0	5207	6014	0	3944	2699	4003	3539	2338	0	0	0	1073	4292	2356	3301	2592	4595	0	0	1301	2175	6211	9708	21760	8898	21384	1558	2352	3253	1330	3556	0	2249	4922	7872	1625	2701	2845	9762	1081	0	5007	3567	3732	6024	3935	5034	7492	6859	6093	0	4199	3538	1406	1385	0	3906	1891	4459	3435	4403	1536	0	4281	1717	Phytochemical	0.15789473	1.1052631	0.05263158
8	C19 H21 O3 N1	312.15942	312.15988	-0.007240419	312.15942	9889	9202	6319	9066	1898	7715	1770	9765	1797	29312	16563	4216	1715	2988	3711	14227	7157	2751	4761	29698	27298	6443	4903	28714	6400	42824	3185	19256	6210	4901	5795	7488	6334	7473	24831	6270	8141	3822	10618	12987	6740	5553	0	0	0	12393	10371	0	9659	7035	5227	7525	4838	0	2138	680	2404	14062	0	1571	15932	3868	1326	2386	2097	1970	10479	10234	25188	38279	53915	8047	6319	4911	6941	5701	0	3117	5222	7844	3564	869	943	12515	1307	0	6718	4572	3390	22950	0	0	21509	8782	25158	0	9768	10785	2132	1046	0	6582	2935	4157	0	7919	0	0	5018	2074	Phytochemical	0.15789473	1.1052631	0.05263158
16	C19 H21 O3 N1	312.15942	312.15982	0.11753921	312.15945	4999	3417	5219	6018	2232	1692	3662	2892	0	17725	14295	2422	0	1245	2592	5353	4848	2908	4512	20561	17321	6120	1577	6329	3612	42507	3739	14123	2486	2029	2385	4680	5813	1983	8407	2309	6313	3757	7381	14208	19131	2133	0	0	0	5777	8695	0	7323	2019	3139	7883	4182	0	0	0	1300	3403	1476	5606	0	5072	0	0	867	3176	2420	6630	36049	36418	49379	3436	2817	1564	5226	2191	0	1697	2948	9112	4802	2402	3663	10425	0	2012	4813	3649	3007	0	8849	4427	0	7004	8681	0	4963	3216	1866	1194	1623	3560	1595	4122	0	0	1747	0	5137	2076	Phytochemical	0.15789473	1.1052631	0.05263158
20	C19 H21 O3 N1	312.15942	312.15985	0.22835937	312.1595	10011	10036	7656	10325	7230	1800	2835	7592	2434	13482	22769	3435	2765	6149	2745	9517	11192	3927	5988	16601	24201	10256	3517	7297	3607	62023	5306	17046	6044	6915	4892	6651	5267	8695	13972	4716	6915	2928	10288	16345	35591	4925	652	0	0	9031	15587	0	7320	5472	8216	8489	4719	244	0	2556	2375	9366	4408	9353	8839	14680	3500	2078	3631	1584	6603	11820	48395	40906	74694	5372	6197	5685	5476	9055	0	4747	6448	17815	4183	6559	7511	15655	2371	4175	6515	8805	2927	15522	12183	7693	16358	14286	18194	0	10328	9209	4051	2627	1784	12385	4611	10210	6368	10451	3676	0	8640	4007	Phytochemical	0.15789473	1.1052631	0.05263158
26	C19 H21 O3 N1	312.15942	312.15964	0.30784655	312.15952	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2215	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1713	0	0	0	0	0	0	0	0	0	0	0	0	1920	0	0	0	0	0	0	0	33563	0	0	0	0	0	0	0	26595	0	0	24382	2317	0	9962	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6660	0	Phytochemical	0.15789473	1.1052631	0.05263158
12	C19 H21 O3 N1	312.15942	312.15985	0.01695896	312.15942	6483	5285	6178	5536	2209	1863	2829	4035	1809	16673	17006	2040	0	2488	2753	6156	7164	3512	2808	31405	28618	4081	2083	4979	3975	49046	3349	15937	5722	2338	2488	3796	8507	3766	23420	2579	10012	2650	8806	14501	13016	2747	0	0	0	3928	8446	0	6317	1922	5234	9224	3223	0	1469	1222	2466	5562	0	0	0	2867	2407	1334	1444	2802	2376	17463	22116	50308	55452	3560	2162	1057	5472	2830	0	2818	3421	0	2375	1295	1250	13094	1346	1314	3468	4301	3051	13434	7998	2524	8326	5060	14378	0	7327	9461	3072	0	0	6487	1553	0	0	3981	1208	0	3589	1282	Phytochemical	0.15789473	1.1052631	0.05263158
18	C19 H21 O3 N1	312.15942	312.15985	0.14631657	312.15945	6616	8502	8859	6281	3122	3276	4358	5513	2346	12879	20838	3194	0	2632	2682	8582	10728	4345	4843	15331	16896	10920	4553	7714	3523	50510	3321	16544	3880	4774	3372	2473	6687	4220	13393	5840	5679	2986	9990	15290	32669	2922	371	0	0	8395	13720	0	7772	5218	9211	10134	4081	0	2438	1133	2720	6609	1866	9910	7921	8789	2366	1551	1761	3777	5389	13916	39315	49992	67194	4682	3316	2357	7168	0	0	2519	5556	12896	5239	6217	3798	15886	4275	1481	5004	3018	2727	22639	5533	6259	13338	11387	14155	0	5993	6898	2041	1628	2398	7645	3227	7565	3589	6122	1391	0	6561	1787	Phytochemical	0.15789473	1.1052631	0.05263158
22	C19 H21 O3 N1	312.15942	312.15982	0.18015298	312.1595	6686	10509	7908	7761	5491	2733	3136	6594	2393	12710	29932	5574	2094	0	3233	9344	10854	5242	3069	12184	15995	10028	4459	8500	5014	52138	3328	23866	6402	6581	4371	9138	9476	7832	9822	7873	7779	5319	12087	19249	38449	4501	0	0	0	10006	17040	0	9248	5226	9594	10667	2839	418	0	1327	4352	5986	5438	9615	9490	14292	1472	1773	3918	6267	10144	10473	58874	28970	49642	6815	6979	5476	5308	7649	0	4212	5255	16878	4376	11614	5567	20609	2053	2921	6419	4023	4558	17666	10512	11392	11228	12364	10105	0	7354	6348	3562	2576	2207	7551	8688	12497	10108	5122	2446	0	9167	2524	Phytochemical	0.15789473	1.1052631	0.05263158
20	C16 H25 O3 N1 S1	312.16278	312.1632	0.19232097	312.16284	7818	11606	10519	14138	276682	4064	4484	6290	14072	0	0	7726	0	0	6047	0	9214	3649	56391	0	0	0	5662	5117	1726	0	6154	0	3927	8060	6167	4710	5781	0	0	4887	0	8866	10934	1274	2381	12744	6019	1532	1733	1680	2066	1581	3964	12289	10254	10588	348876	1925	31479	0	25805	4270	0	1700	3865	0	11259	19971	7600	2225	6681	11213	0	0	0	0	0	5238	10755	10087	2002	8194	3228	1826	5965	0	0	0	163562	15378	2868	3918	6530	2585	3513	2317	2558	0	1924	968	8830	8537	34055	0	0	10550	7420	0	0	3129	382132	1401	3544	2973	Organosulfur	0.1875	1.5625	0.0625
12	C12 H25 O8 N1	312.16528	312.16574	0.055667322	312.1653	94168	95341	96330	86385	24333	17016	7311	2156	15781	18260	54551	0	14617	59709	4751	0	4464	2633	4621	5280	2741	0	2265	0	14138	21574	0	445646	2162	1175	2394	1861	3293	1832	10309	1894	0	5346	3019	30959	0	11699	5049	3367	3276	36483	0	5400	2488	0	80925	0	9353	4322	83560	4117	104530	0	766834	0	0	395039	34303	9855	290645	131219	171513	0	20641	18063	9031	0	1177	2329	0	0	2971	3481	3427	141215	3960	73989	6386	3665	43367	174021	2456	7119	5426	0	22056	33385	2940	19476	2625	2746	90442	117987	43593	5751	14495	0	3061	0	7251294	0	41190	6874	4740	5725	A-Sugar	0.6666667	2.0833333	0.083333336
6	C15 H25 O2 N3 S1	312.174	312.17398	-1.0254583	312.1737	0	0	0	0	0	2728	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	738	772	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16334	0	0	0	0	0	0	0	0	0	0	80685	0	0	1839	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.13333334	1.6666666	0.2
12	C16 H25 O5 N1	312.18054	312.181	0.06698422	312.18057	83556	80230	91032	88579	66424	51180	77301	160897	47868	77534	46019	73230	71416	34291	90462	113857	166061	103935	118415	144740	153875	139397	106509	124170	93311	142533	53464	44236	161990	92605	108849	98843	138365	98154	120034	120736	100248	76351	161179	101558	107425	73495	2721	1091	1502	125536	117068	1570	113828	100174	96786	85530	62386	1339	85411	53257	45779	129079	67632	110031	96070	69014	67711	57992	33871	70011	73198	154989	118864	135585	153339	95009	102654	115255	107458	99801	792	85647	93865	70822	84913	76848	88438	68828	72711	56723	108648	54554	75502	185400	131036	140255	187246	83993	101135	1285	89421	94614	45307	49499	72603	107149	71105	98915	46944	116633	67376	1069	85368	76742	Lipid	0.3125	1.5625	0.0625
6	C16 H25 O5 N1	312.18054	312.1811	0.06886568	312.18057	120634	131466	107881	124933	50026	49257	72077	148823	47464	163573	60457	76661	76762	31917	90755	151560	110189	70618	91269	178743	177815	170941	80790	143116	74820	75131	68323	49482	133746	134081	124815	134582	180030	123928	225265	124879	165620	76022	141812	133307	116429	50313	1283	618	660	120824	113990	494	176285	121600	116866	125595	51670	983	63947	31015	27620	157192	39160	67026	128811	67186	66937	45769	26796	66588	58209	143054	75803	203143	164077	128789	123487	109421	85018	116362	586	78733	72257	57494	65253	52317	60140	74287	31187	36190	83821	50698	63847	159021	151326	154478	182262	82092	141738	800	119202	111858	27703	32063	31860	158099	77324	154750	45515	139064	31938	360	76030	98465	Lipid	0.3125	1.5625	0.0625
16	C16 H25 O5 N1	312.18054	312.18097	0.092058346	312.18057	216812	221259	237463	239449	247032	167615	203326	243499	151838	249727	181397	165560	244677	145802	175461	343345	388093	360559	379613	438662	450866	241451	209909	306961	180446	400828	184620	152009	278742	253004	208172	271550	315578	252973	247417	304066	285423	129201	319299	241563	298774	233882	10593	2205	1880	229383	271012	1693	301545	252546	254139	231620	216547	3720	213683	178459	112127	322614	143325	245061	313867	147843	176710	170336	107982	224366	203428	299133	321332	328018	365556	219089	252081	254417	359064	231404	1181	143638	194259	225539	126805	138472	202804	191774	196707	156736	224987	236443	207606	361192	273344	301330	389261	179144	333249	2413	244135	312637	139990	147575	209335	377398	140955	286440	115682	265494	205944	1486	165938	192683	Lipid	0.3125	1.5625	0.0625
14	C16 H25 O5 N1	312.18054	312.181	0.08794257	312.18057	155233	145784	146948	162587	113070	108802	135168	209918	95603	133272	84832	102011	145966	85080	141408	252841	312108	188987	185572	246709	259849	193199	151138	225237	146311	290559	126062	105997	212851	192552	135949	196388	234137	175116	162075	212568	187028	109307	249680	134430	166325	144246	5487	1284	1427	179750	181220	1351	189960	167976	140212	152423	112804	2313	131118	107967	63430	232755	121031	146307	229546	98781	110402	102750	71068	119439	116105	247415	204877	234744	226213	141297	172639	180983	245091	175948	1234	120005	133517	141760	114863	115286	152295	103969	134256	99782	173233	125243	136350	296200	221006	191274	283405	118312	199310	1942	152532	183390	84552	106627	130369	245355	98590	220276	88764	179699	124745	1511	128131	109617	Lipid	0.3125	1.5625	0.0625
2	C16 H25 O5 N1	312.18054	312.18112	0.056174263	312.18057	153140	158088	134004	137852	35279	50110	92731	231911	41290	141752	59785	125493	55691	25568	279550	179973	291680	59358	79086	178870	173993	511258	107199	165956	236966	59074	77744	47698	468242	192429	474042	198662	217149	154083	191399	202549	193967	233678	166145	309974	127128	56191	666	404	559	109280	213056	381	241009	169409	141960	142991	42177	457	54637	23619	25963	217998	71626	68393	342192	73531	50143	50097	25604	61446	68650	177623	64632	307064	119194	212730	199427	217839	243900	205271	422	148791	166588	57246	70915	49897	65810	57588	29972	32260	89540	48675	72468	180664	443856	546496	747032	101559	185718	1161	141908	155391	29440	25833	28285	167984	131123	486958	61852	176213	25074	480	76579	62472	Lipid	0.3125	1.5625	0.0625
22	C16 H25 O5 N1	312.18054	312.18094	0.17212741	312.1806	38701	39230	35266	35408	68480	47321	20078	35390	46274	21057	18712	22550	57053	47828	28396	42453	36515	73142	73959	42902	42656	25529	26841	38501	31251	26474	20364	18575	41714	29314	28448	40568	47571	38021	18736	40982	45628	22337	33747	22552	25148	41219	4906	0	2855	26414	31852	3198	36054	29013	33920	35454	47071	2953	74886	49319	58538	42304	22940	22653	48040	17087	47085	47843	51234	62282	54029	34754	26371	23045	27420	26124	29124	27375	26623	29655	3054	24864	31408	28273	16963	15618	23794	17724	66397	48992	43871	36595	31861	33243	50383	48071	46587	23658	31428	2747	32873	45986	47372	42624	47580	47385	21369	40697	23023	33385	53795	3131	22427	62516	Lipid	0.3125	1.5625	0.0625
8	C16 H25 O5 N1	312.18054	312.18103	0.046730015	312.18057	100094	113698	97166	114398	41948	40984	77775	145075	38822	118604	59755	66970	54828	22832	67435	143379	116213	54711	74167	154976	144919	131924	69162	136561	71335	77386	74844	48939	145085	111007	109636	162265	138358	149151	167850	139828	128277	65833	134488	119733	112634	57834	1151	599	917	106458	109129	503	210531	129304	108253	108335	50968	954	50497	24756	27890	127497	36386	67084	119506	59912	54515	43644	24931	57545	56711	147160	64334	125258	124028	109526	115918	92082	139025	129089	572	67015	79479	53050	64953	45431	53679	73296	32230	27724	77575	53884	63157	121612	114818	128977	143998	78117	117156	1065	102818	111058	24059	26164	30944	128860	65707	145047	31877	97815	26821	494	81396	66759	Lipid	0.3125	1.5625	0.0625
6	C15 H25 O4 N3	312.19177	312.19232	0.07870295	312.1918	24169	27447	24884	22429	5788	5175	13638	17018	6943	15205	17280	8969	6545	3447	12153	19249	15951	8313	10321	13871	12650	16497	12112	18479	13171	5171	12242	53735	17977	17334	17753	20521	22075	13870	15958	18427	21403	13088	21972	9753	7495	6859	0	0	0	11482	11448	0	24205	13716	25328	23252	7091	0	10112	2561	3444	23965	1722	1999	20620	5149	6385	4104	4788	7932	10050	24335	4486	12630	11632	12035	12721	14564	20987	14510	0	9440	11074	91950	8248	4339	3800	7195	3422	4868	16406	7209	7780	32568	806518	312120	36140	30796	17179	0	25366	21263	3576	2817	4253	25012	8640	16593	0	18909	3609	0	12830	8171	Peptide	0.26666668	1.6666666	0.2
10	C15 H25 O4 N3	312.19177	312.19223	0.06205547	312.1918	10070	8596	5548	9330	2495	4129	5897	10914	3014	3117	3728	5420	3350	2306	4636	12181	12643	5636	8474	4427	5937	17248	5922	14342	7509	1730	7897	5570	10480	11836	9093	16563	14172	12296	5944	9019	16355	6854	16811	7673	4027	7725	0	0	0	8653	8465	0	12182	6653	8053	9387	4430	0	3872	1218	2733	16454	2071	2267	10394	2496	2173	2035	2492	4661	5819	17204	0	4387	2439	10565	11280	10167	12455	13330	0	4984	7257	17143	4802	5797	2372	2634	1745	2812	9277	4485	4067	17693	34411	14170	22705	9707	14496	0	7347	9278	2379	2156	2959	13607	5942	8511	0	11060	3216	0	7453	4182	Peptide	0.26666668	1.6666666	0.2
4	C15 H25 O4 N3	312.19177	312.19235	0.042487845	312.1918	17442	21558	21185	18962	6086	4619	12028	15289	7343	8839	10507	9377	8542	4993	11427	18368	18875	8134	10704	11987	11428	17001	9569	18694	13917	6467	13026	22526	18592	10911	13536	16501	19035	12740	15991	14487	21935	10193	23601	11319	10810	6731	0	0	0	12527	13242	0	15350	12754	20812	16070	8474	0	8679	3083	4981	20452	2649	3540	17284	6669	8187	7716	3734	10603	5659	19235	4689	8196	8261	9575	9354	14138	25682	14815	0	11240	13264	93365	10135	5225	6667	8625	6571	6559	15014	6451	7288	25000	551876	163172	33004	21354	14844	0	20216	21479	4600	4471	5455	16154	9996	17927	5252	15071	5714	0	11047	10047	Peptide	0.26666668	1.6666666	0.2
8	C15 H25 O4 N3	312.19177	312.19226	0.04073223	312.1918	17971	19713	14914	20000	8282	7933	13852	19598	8655	15993	9883	8925	11053	5207	12120	25206	24121	12879	18821	20624	19192	19949	12367	25614	17013	13389	12894	13703	20244	17371	19485	25516	21749	17116	20860	19021	23711	11559	24024	14725	10549	7557	0	0	0	11531	12610	0	23820	15307	17214	17867	9745	0	10366	4776	4927	25214	1724	3102	19068	3705	8762	7672	6837	12249	8909	28993	9543	18355	15955	12197	15751	16065	22672	20188	0	10502	14013	22126	9128	5302	4858	8874	10260	6279	18613	11566	11542	38551	100957	35124	42133	9507	9774	0	18506	19119	5932	6860	5457	24131	10284	16100	0	21366	5947	0	16503	17125	Peptide	0.26666668	1.6666666	0.2
22	C20 H25 O2 N1	312.1958	312.19617	0.14745009	312.19586	3327	2833	4403	1544	1305	0	1925	5383	0	2115	4892	2058	0	0	2160	4260	5195	0	0	3108	4069	5344	1786	6075	3686	16666	2557	4222	2639	2943	2740	0	2054	4678	1774	2827	1863	2910	5869	4473	10078	1544	0	0	0	3706	8873	0	4228	2745	2889	1646	1620	0	0	0	1704	1807	1753	5220	2854	4086	0	0	0	0	1446	9574	17378	8375	10824	3468	2122	2514	3186	3424	0	1698	2907	14264	2521	4878	2281	4362	0	0	5359	2019	0	20609	3479	5493	9485	10850	6653	0	2974	3605	0	0	0	2183	2154	3596	4490	3189	0	0	4554	0	Phytochemical	0.1	1.25	0.05
24	C20 H25 O2 N1	312.1958	312.19617	0.23993748	312.1959	3081	3240	5196	5362	0	1185	3342	1911	0	1244	3634	2892	0	1748	2605	3960	2465	0	0	0	2740	7698	1214	6428	2098	21724	2287	4335	1479	3876	2272	3669	1442	2899	0	2382	1449	2324	2840	3592	15124	0	0	0	0	3185	9178	0	2510	3669	3283	4146	1354	0	0	0	1280	4496	3623	8918	4312	3877	0	0	0	0	0	4463	9747	3011	10185	2280	2920	2952	2590	3807	0	2304	7205	18118	4138	4375	4472	7731	0	0	4985	4179	2003	31523	13515	16904	17325	21043	13932	0	3846	4656	0	0	0	3906	3252	5871	4264	7002	0	0	8159	0	Phytochemical	0.1	1.25	0.05
8	C13 H29 O7 N1	312.2017	312.20218	-0.018339382	312.20166	3160	4727	2123	2518	0	0	0	0	672	13945	16590	0	0	1432	0	0	863	0	0	1324	2906	1724	0	0	0	0	1272	8171	0	0	0	0	0	0	6851	0	0	0	1273	9762	7078	0	1496	0	0	6240	14491	0	0	0	2566	2228	1079	1870	0	0	674	0	45085	2040	0	33326	1964	0	0	1168	2018	0	0	3040	7782	1324	0	0	0	0	0	0	0	16343	0	0	0	0	0	0	0	780	0	1439	0	0	1964	3367	2861	0	2567	4086	0	0	0	2336	0	5408	382870	0	0	0	0	0	Lipid	0.53846157	2.2307692	0.07692308
10	C13 H29 O7 N1	312.2017	312.20212	0.092808634	312.20172	13752	15356	13759	11303	828	0	9869	1757	3319	38893	23765	0	0	0	1668	3349	9092	0	0	88909	11580	20114	0	8422	1909	3603	46223	81175	0	2563	0	1183	0	916	5293	1780	0	1734	5800	48610	19742	0	7089	1040	1223	61307	37786	814	2171	2440	13565	12042	634	2412	1365	0	1759	4703	37742	31620	25813	37749	0	1810	1497	4245	0	6291	96008	66306	102904	1380	0	1188	0	0	13675	0	2352	147023	2118	4922	2041	3166	2451	4184	1265	4816	0	16199	39957	91159	12231	15970	103733	1167	11276	16532	2930	3491	2640	2476	1253	71438	427416	0	3632	1225	1848	0	Lipid	0.53846157	2.2307692	0.07692308
12	C13 H29 O7 N1	312.2017	312.2021	-0.001040974	312.2017	2438	2444	3771	2243	2581	0	0	2170	0	8670	2193	0	3381	1909	0	0	3358	1414	0	18002	5334	6210	0	2958	0	0	0	13686	0	0	1294	0	0	0	4837	0	0	0	2289	13169	0	0	2151	1819	1508	39791	6389	1541	1299	0	2593	4427	0	3117	0	0	2682	2516	31198	0	46136	21966	41507	0	8764	5051	2962	0	0	44963	4576	0	0	0	0	0	1989	0	0	0	868	1000	0	0	1420	8608	0	1413	0	0	16284	12160	4239	3981	7292	1496	2926	5274	1981	965	1688	1672	1137	12084	719575	0	1337	1592	0	9291	Lipid	0.53846157	2.2307692	0.07692308
20	C17 H29 O4 N1	312.21695	312.21735	0.15948613	312.21698	25555	27514	26936	23780	28069	18936	39591	25651	18474	25616	20217	16940	22028	22260	20641	42519	46857	19667	28080	39260	36681	28000	19482	29165	23245	31819	41042	29301	29702	32013	16754	27569	32436	27251	22002	33662	30992	16018	44696	16419	28833	31788	8270	0	0	23062	27692	1010	34339	31124	27288	30845	23315	3099	13848	17246	15549	38501	13490	34332	33538	12338	18179	13715	19413	33973	28645	45973	25635	20453	33907	26844	32170	28229	44545	31651	0	13862	27003	38964	17420	17170	23782	23625	16880	24961	48207	33769	22973	73111	70418	45585	42454	23063	34763	0	26739	32625	20310	16235	32613	38192	18105	26936	18267	38849	22737	0	19695	19116	Lipid	0.23529412	1.7058823	0.05882353
18	C17 H29 O4 N1	312.21695	312.21735	0.17869276	312.21698	11795	15951	16136	17722	7521	7492	16467	19801	4669	7295	12201	9718	13400	6440	9502	30925	28001	9475	11052	14395	20890	12902	34361	14673	9627	18971	17169	9763	20258	15119	11430	20244	21225	19581	11099	16937	14948	6728	24724	5941	15395	13981	2634	0	0	11330	17261	886	18492	18406	11581	16757	9432	1315	7193	10004	6288	23269	5180	14996	23435	3390	5634	7247	6214	11816	15404	27586	16913	14469	17063	15425	14093	21846	29951	14632	0	6964	15624	19375	20823	8024	14563	12337	11162	8573	31096	17554	8239	35693	40199	24018	17427	12855	17454	0	13798	20541	4866	11783	11668	19467	8121	11415	6518	22561	11055	0	9422	9837	Lipid	0.23529412	1.7058823	0.05882353
6	C17 H29 O4 N1	312.21695	312.21747	0.05406907	312.21695	39073	43545	42427	42889	7182	8303	32165	82000	5588	33480	17091	25908	6483	7859	44414	83221	45535	10284	17049	35451	35189	36304	40344	390073	65208	12274	38585	14585	53698	55398	57100	58376	62654	45206	40011	54132	62662	33260	62253	22913	12225	10044	0	0	0	85163	19484	0	79428	66927	47007	43407	10985	0	7008	3284	7269	83070	925	3236	71575	9957	6410	9158	6164	10647	14877	67986	8878	25036	22067	60662	47621	61598	148240	45115	0	32048	33201	16817	25020	4798	6384	16334	5146	9607	137935	17547	14693	103620	82749	32215	62961	17698	29762	0	40673	43086	3891	2878	4501	52219	30621	44639	10461	47410	6150	0	51945	7047	Lipid	0.23529412	1.7058823	0.05882353
2	C17 H29 O4 N1	312.21695	312.21753	0.07891785	312.21695	24483	22626	21887	22890	1534	0	20444	58116	1808	13483	6282	21764	2785	1319	21589	58633	28112	3382	6506	20240	16658	21998	13200	29732	25241	6094	22579	5754	35023	37561	37190	34501	25277	24061	14575	37764	26634	17379	26710	11767	10972	6315	0	0	0	11264	9852	0	59657	52882	21808	21690	4433	0	2639	1404	3066	53305	2633	2572	43654	6483	2045	2541	3158	3243	8071	28711	5396	11305	9128	32723	30147	35732	32191	27542	0	22081	16958	14619	9890	4490	5854	8570	2162	3467	44580	4922	8033	66299	47654	32351	47975	12162	29405	0	22597	24093	1684	1944	2650	24782	16750	33005	5356	24327	1253	0	23859	3110	Lipid	0.23529412	1.7058823	0.05882353
12	C17 H29 O4 N1	312.21695	312.21738	0.11118134	312.21698	9065	11962	11864	8636	6416	6133	6287	18608	3372	9018	2760	6289	3890	5579	5612	23006	11912	3870	6192	14428	12854	18169	10309	15616	12273	6672	4366	0	13959	10916	17027	14547	17499	13374	14729	15524	14430	7850	16938	9906	0	6652	0	0	0	9275	7712	0	22408	10783	13008	12960	5756	0	2260	986	3600	26129	0	0	0	4510	2242	0	1949	4717	5466	14763	0	17321	9877	10753	14125	12588	8137	15115	0	11356	9989	0	8495	2974	784	4980	1808	2166	41458	3787	4841	62474	41980	11367	26017	7491	11335	0	10706	11266	3541	2121	3206	14641	8219	4946	0	17789	3825	0	15019	3894	Lipid	0.23529412	1.7058823	0.05882353
16	C17 H29 O4 N1	312.21695	312.21738	0.1404689	312.21698	7463	7474	6769	8341	5365	5425	4520	11759	5243	2863	5309	4215	2812	4917	6267	18494	14799	9342	9243	7707	11878	5464	10050	14450	5398	7554	6553	5778	8589	6499	6677	13109	11116	9200	7965	7693	10350	4780	11971	5517	6126	6083	0	0	0	4111	9025	0	10316	8419	8455	8339	6260	0	3747	5266	5125	11931	0	4155	6740	1796	6967	3226	2252	6221	6940	12401	9161	7937	8390	5832	9157	13745	10856	8853	0	5233	10584	12422	11180	4445	3045	3237	5704	6296	26419	8421	6697	35204	30458	12986	0	7615	12552	0	7417	11178	5650	7544	10556	12557	5646	8376	0	12835	5613	0	6229	2957	Lipid	0.23529412	1.7058823	0.05882353
0	C17 H29 O4 N1	312.21695	312.21753	-0.13024008	312.2169	55167	57663	72667	66200	0	0	15836	98802	0	1680	1658	19380	0	0	24075	475321	18489	3721	3762	1812	5233	257244	47268	391101	97637	1199	8041	1600	9186	6198	28553	4177	7954	7492	3830	10075	5574	27010	19153	2650	2509	11311	0	0	0	107335	25963	0	13244	14041	59617	43954	1610	0	433	0	3931	438705	1562	1929	419329	1648	0	0	11578	2748	6334	24870	2164	26902	1999	24749	7482	5053	6685	7412	0	13895	91204	29966	70031	20317	3495	4466	733	7637	57526	6010	8216	335754	8116	13143	636008	8546	10874	0	64340	61859	0	0	0	6814	11583	2526	10247	296764	0	0	109474	0	Lipid	0.23529412	1.7058823	0.05882353
10	C17 H29 O4 N1	312.21695	312.2174	0.08478996	312.21695	32155	27725	24765	22598	12081	11117	31764	40715	5483	22367	8528	18147	8512	10869	16595	42963	16106	8151	16661	29596	26725	27148	23803	33450	32516	9847	28885	9178	32409	34584	40047	32882	44683	28887	40887	25689	45281	17836	17891	20715	6478	13568	0	0	0	19871	6836	0	41916	27503	32446	26966	12521	0	6169	2786	5837	60907	0	1600	42422	4884	6409	6169	4318	12609	13055	22698	7893	35177	16775	36096	25009	32904	20151	27450	0	22020	22203	10886	10551	1965	1902	7768	3345	5909	187212	10866	14916	115126	91824	19686	46282	11691	26206	0	31405	30691	5922	4659	5093	40716	16853	19838	0	35449	4811	0	37475	10215	Lipid	0.23529412	1.7058823	0.05882353
4	C17 H29 O4 N1	312.21695	312.2175	0.07293073	312.21695	39259	39259	36799	34792	4484	6037	55388	96224	4471	22614	12949	28813	4119	5416	28634	69971	65584	7644	9630	28558	25533	39992	20653	47816	52765	8088	64905	11714	46824	53099	64917	49863	81941	42892	34718	44904	80602	25741	71668	19501	13766	9911	0	0	0	18999	16189	0	81537	94200	37654	33866	9237	0	7692	2117	5915	76384	2585	1917	64572	10351	5396	4846	3812	8587	10928	81413	5944	16287	11363	89499	40509	54310	51873	42908	0	33953	29031	15831	17165	5035	8588	13624	5131	6958	103827	11842	15356	91442	108842	52602	61172	21779	41930	0	36219	43067	2445	4590	2948	67803	24565	41537	9711	40981	3108	0	42802	5324	Lipid	0.23529412	1.7058823	0.05882353
22	C17 H29 O4 N1	312.21695	312.21735	0.15582645	312.21698	39505	36165	34860	35386	41325	35845	40833	37062	21671	42315	28343	22156	29875	42196	28481	54814	54590	45067	43417	46738	41834	35019	25898	30410	43872	38880	41757	38891	49262	41696	31445	52439	51845	37594	35862	50185	43812	23692	40251	23060	36142	40085	9205	0	1442	32778	40519	3848	41461	54211	38372	34703	37918	6994	22005	25009	18408	52083	23311	39980	49982	18328	24221	20722	20475	48450	50609	52141	25870	35769	25398	32022	38098	37939	52375	41786	1481	16681	27637	59578	22536	25707	34629	28456	23687	25762	57710	34252	28480	64264	94347	74605	45041	30916	54776	0	36404	42754	27372	18398	20536	65780	20426	39371	37378	61786	35411	0	37495	31110	Lipid	0.23529412	1.7058823	0.05882353
14	C17 H29 O4 N1	312.21695	312.21735	0.093631074	312.21695	9640	11172	7411	6407	2375	4042	7835	11721	3532	5156	2778	7104	2629	4190	5974	20983	15540	3801	5794	7522	8680	9662	8497	11773	12864	6472	9012	0	12172	11362	8681	13764	30995	13047	10475	14861	26738	7519	12162	7337	0	7611	0	0	0	8413	5879	380	16961	10216	8205	6608	4643	0	3247	2751	4710	15903	0	0	0	2919	0	2010	3502	4989	5578	16072	0	8081	6958	7644	8986	12719	14098	13081	0	6363	7373	0	7826	1251	1051	3036	3248	4539	26104	4203	7816	28676	25437	5512	17528	3636	8346	0	7604	4747	3546	4756	3977	21964	7488	5248	0	17775	3401	0	8653	2220	Lipid	0.23529412	1.7058823	0.05882353
24	C17 H29 O4 N1	312.21695	312.21732	0.12726897	312.21698	35540	28446	28908	29887	45697	33679	34429	29292	22143	25198	23387	20844	27609	28601	22749	30887	48670	50702	53476	40569	43896	22752	18687	21751	30149	23177	29059	35702	42369	33610	19969	37448	41319	34288	25972	36289	41421	16613	40318	21592	29329	37943	8523	2855	6424	29299	28188	3368	38285	26208	30185	24899	40299	8718	28796	17481	27847	33820	26340	29584	35426	15871	21696	21612	23570	48453	74640	46519	21379	19374	25007	21879	32001	29682	35326	25503	6516	20127	18052	36745	11646	23569	29339	21681	29753	34019	25751	35531	40250	34157	75994	64881	26835	32951	47360	4839	29788	31611	28005	14708	21003	41938	14202	43723	34732	32099	26983	5016	20923	29952	Lipid	0.23529412	1.7058823	0.05882353
8	C17 H29 O4 N1	312.21695	312.21744	0.07669072	312.21695	45859	56339	40614	46802	13363	13451	52724	60676	6995	31244	15871	35243	13325	12658	36026	57515	28434	14995	18568	37296	32960	41455	39021	41810	112273	11803	48345	17108	41184	49026	50679	52171	62980	40986	50149	40309	68488	38795	29169	25808	11780	14281	0	0	0	24533	17426	0	68274	49894	47801	51122	11700	0	9147	5167	8770	60121	0	2553	56780	9050	8913	11391	6974	14043	13877	32827	8206	28917	15264	50258	47670	52625	39722	47213	0	34371	62691	29166	19364	4969	4650	16907	6201	5779	931257	12124	17386	500938	155369	56407	71266	17303	37819	0	46505	47358	6414	5258	4430	49800	33891	34285	6722	36862	6810	0	108473	12535	Lipid	0.23529412	1.7058823	0.05882353
26	C17 H29 O4 N1	312.21695	312.2173	0.21927322	312.217	5682	4687	5562	5623	9947	5806	7573	0	5872	5458	7339	0	4724	8624	0	0	5339	10014	9581	8495	13003	2717	0	0	8271	0	3406	14789	6045	0	3323	0	5938	3111	7775	6345	4026	3103	4712	11161	6609	6882	0	0	0	0	0	0	3951	0	3621	6557	12888	0	10585	0	5371	4456	6460	4292	0	3314	6608	4546	5040	13074	22476	5527	0	0	2256	2759	4496	0	0	4677	0	0	2908	5861	0	4437	10251	7342	5924	8777	6414	3872	7184	3442	15005	14124	0	3236	0	0	3509	6167	8977	2338	0	7083	0	8264	0	2133	11568	0	4136	2975	Lipid	0.23529412	1.7058823	0.05882353
8	C18 H33 O3 N1	312.25333	312.25375	0.06984296	312.25336	1602	1414	0	2277	0	0	3043	4747	0	0	0	5011	0	0	3175	3644	3803	0	0	1712	1237	0	1270	2997	1627	0	3004	0	4147	9109	7424	7153	2599	2781	1191	7229	1171	2352	1967	0	0	0	0	0	0	0	0	0	2983	7528	2048	1340	0	0	0	0	0	2944	0	0	0	0	0	0	0	0	0	3357	0	0	0	3702	10004	20870	2436	7511	0	4789	0	0	1136	0	0	0	0	0	1410	0	0	4587	0	0	6743	0	0	0	1046	1538	0	0	0	2280	3823	2210	0	3412	0	0	2466	0	Lipid	0.16666667	1.8333334	0.055555556
22	C18 H33 O3 N1	312.25333	312.2537	0.14049554	312.25336	44244	45262	47677	46910	42734	151951	3179	22723	1361	170618	0	0	79279	46096	0	91946	63126	45422	35925	22993	50074	18700	1539	16304	0	0	2617	0	19003	103956	15164	76584	142169	25032	47002	64838	30418	1374	26024	47022	105754	124168	27495	0	1449	95682	280576	0	262334	416345	47316	41748	6926	74270	0	1505	4916	25744	0	1253579	37096	0	115065	0	0	189494	7574	260813	0	3449	15531	29548	9027	13917	71872	195668	5066	0	0	3122	0	1885	0	1438	0	0	0	129874	14956	133486	112804	10768	120803	0	336274	10627	41590	61119	6998	0	1828	17623	1569	8325	0	19466	0	0	0	476533	Lipid	0.16666667	1.8333334	0.055555556
20	C16 H8 O7	313.03427	313.03467	0.19769928	313.03433	3782	4881	2333	3740	6867	2812	5466	2273	7259	0	0	4666	7474	6641	6574	11873	4872	11420	7944	0	0	6827	6708	8386	4032	0	5343	0	0	2178	2520	2908	5705	2556	2314	2661	4538	4765	8374	0	0	6127	0	0	524	2489	0	626	4160	2563	4892	3060	9389	0	3813	4555	4730	9806	0	0	9154	0	8548	5189	8174	10791	9237	5931	0	0	0	1557	2100	0	5052	3886	0	3692	13523	2636	6767	0	0	0	7447	7528	10264	10553	7929	25135	0	0	12242	3206	3529	534	3617	2803	5308	8216	5563	6640	4619	0	0	13147	4771	0	9678	6696	Phytochemical	0.4375	0.5	0.0
14	C13 H12 O7 S1	313.03766	313.03818	0.27511472	313.03775	2701	3699	4013	3974	11783	8041	0	0	9000	10387	7093	0	21649	6140	0	4131	0	15681	11563	2242	5464	11565	2183	0	1493	1280	1311	0	0	0	0	0	2266	0	12733	0	1975	0	0	7637	7274	1573	0	0	0	1468	0	0	0	0	2676	3439	7942	0	6400	7684	3747	2187	0	0	0	6608	4343	6606	1953	15436	3729	0	0	1769	5675	0	0	0	1333	0	0	0	2686	0	0	2822	3003	2491	7664	2724	5868	4465	5106	0	6068	11188	0	18274	19749	0	4144	5011	7586	11142	7020	0	0	0	0	2093	7501	0	0	15963	Organosulfur	0.53846157	0.9230769	0.0
12	C13 H12 O7 S1	313.03766	313.03815	0.17527728	313.03772	2184	5274	4499	5754	8132	4187	0	0	7734	11683	11742	0	9414	2740	1046	0	2624	9512	8250	1801	4687	11707	1586	0	0	1361	0	0	0	0	0	0	1758	0	11827	0	1888	0	0	6190	11514	2486	0	0	0	1412	0	0	0	0	3557	3624	3339	0	7166	6239	1936	2631	0	0	0	3646	6744	6601	2243	7539	2024	0	0	1803	6488	0	0	0	0	0	0	0	1405	0	0	1428	1163	3811	7871	1909	0	3235	3415	0	5708	10514	0	24691	24796	0	3466	7114	6232	7661	4621	0	0	0	0	0	4779	0	1459	9618	Organosulfur	0.53846157	0.9230769	0.0
16	C13 H12 O7 S1	313.03766	313.0381	0.14594795	313.0377	4330	3682	4797	5602	10822	10641	1783	0	8889	3253	2704	985	23827	5066	1309	2097	2292	33070	12550	0	3458	9151	2169	3027	1361	0	0	1849	0	1428	0	0	2568	0	6481	1511	3726	996	2030	4570	7241	2088	370	0	0	1396	2084	0	0	0	5428	5352	9059	0	7718	7934	1574	3786	2484	2892	0	4431	8109	9592	2622	10241	6380	0	0	1499	0	0	0	0	0	0	0	0	1838	7092	0	1405	1509	2239	8415	3489	5058	4294	4647	0	3986	9394	0	9625	12328	0	2439	3602	8101	7085	3995	0	0	0	0	0	8236	0	1819	20153	Organosulfur	0.53846157	0.9230769	0.0
10	C13 H12 O9	313.05542	313.05594	0.2317681	313.05548	20819	18072	16725	19111	75684	35109	2442	2244	79990	4084	12515	10843	144985	26477	5124	5204	6299	74708	73218	3626	11751	13330	12673	2249	1625	0	3943	0	2975	1982	2130	2737	12020	4570	7517	2422	10986	6148	5320	3689	6523	20149	1336	0	397	3114	4173	736	4093	2835	22825	21549	39708	0	82729	76488	25410	4114	4176	5904	0	4141	142269	98709	23273	100199	28719	7184	0	0	3118	2808	1313	1444	4417	2605	0	6595	12381	0	11984	3314	1014	1271	78643	22982	15169	25133	28567	6882	0	9435	4518	17003	6481	0	19491	20136	50863	95447	90853	10939	7487	5012	0	4655	55348	0	2718	177575	Phytochemical	0.6923077	0.9230769	0.0
6	C13 H12 O9	313.05542	313.05594	0.24583642	313.05548	12800	13780	12674	12152	48094	12366	1532	1690	51464	4108	6136	3970	88682	13186	3824	4044	3826	46436	47746	3144	9006	6952	7494	2540	0	0	2778	0	1914	0	3652	1554	5764	1792	8510	0	5040	4286	2576	0	3572	15328	0	0	0	0	0	0	2874	1752	15490	13744	30908	0	47464	65732	18434	3676	0	3012	3544	0	111900	60472	16308	65862	17450	2818	0	0	0	2176	2248	0	2458	1882	0	2188	6808	0	5618	1298	0	0	49036	12894	9960	25110	18232	4250	6076	12824	2118	7242	6428	0	13398	13292	35362	101134	90106	7674	3342	2970	0	3592	48012	0	982	120817	Phytochemical	0.6923077	0.9230769	0.0
14	C13 H12 O9	313.05542	313.0559	0.28557277	313.0555	11672	7741	11074	11394	42758	25535	2973	2241	54751	3296	3453	6065	79659	25245	6419	2633	0	44530	43759	2084	4019	9369	12633	3275	0	0	2774	0	2019	0	4215	0	6591	3431	2245	2017	8886	4448	2698	0	4446	10068	0	0	372	0	0	661	3297	0	10399	10401	28338	0	53420	40218	15655	3060	0	0	0	3167	96986	63495	16846	52391	17208	3305	0	0	1344	3751	1201	0	2292	1867	0	4859	5738	0	6826	1747	0	989	41120	13835	7913	17628	21515	0	6997	6188	4267	5619	2604	0	12615	10092	24468	42114	45477	5870	4275	0	0	4527	26605	0	2508	95312	Phytochemical	0.6923077	0.9230769	0.0
16	C13 H12 O9	313.05542	313.05585	0.2793595	313.05548	3361	4361	6187	6606	18614	13824	1794	0	24466	2209	0	1866	31247	12753	3282	0	0	23899	29560	0	2072	3592	5009	0	0	0	1015	0	0	0	0	0	3862	1901	0	2016	4979	3167	1925	1198	0	6160	707	0	1042	1340	2929	679	1690	0	5785	7089	10952	0	27057	17203	8262	0	0	0	0	2794	42503	25453	7728	28316	8234	0	0	0	0	0	1217	0	0	1709	546	2166	5393	0	3615	0	0	0	22199	7265	3982	7010	10984	0	0	2270	0	1774	0	0	4920	4598	14611	20684	21128	2412	3527	0	0	0	12261	405	1221	39422	Phytochemical	0.6923077	0.9230769	0.0
12	C13 H12 O9	313.05542	313.05594	0.22958276	313.05548	21819	17996	17483	15929	67050	31258	3220	3291	69072	3980	6575	7619	115666	24021	6762	4088	7064	70928	69309	1966	8912	9816	11271	0	1928	0	3127	0	2821	2726	3638	3371	12673	2845	5884	2708	7662	8570	5800	2534	6788	19835	856	0	442	0	0	689	2018	4052	23380	19394	39932	0	79908	61128	27958	2365	6731	0	0	4336	152627	90993	20544	80789	24112	4743	0	0	3284	3015	2138	1207	4673	3232	325	8622	10914	0	9347	3279	0	915	62969	21313	9992	22633	24098	4873	0	3850	4119	9103	7186	0	22058	23504	53509	76979	62518	9871	9651	0	0	4951	42021	0	1706	177199	Phytochemical	0.6923077	0.9230769	0.0
8	C13 H12 O9	313.05542	313.05594	0.20779526	313.05548	13305	15677	12865	16131	51526	19269	2334	2623	57601	4686	8767	5906	114739	14809	4141	2886	4219	53065	54962	4592	9656	11326	9921	2454	0	0	2808	0	1919	2824	2333	2145	8660	1244	7838	2662	8565	6430	5375	2241	7234	19050	0	0	0	1813	2799	0	2295	1683	14836	17097	29973	0	55320	69788	22429	4032	2015	5114	0	2350	102925	81820	19795	72624	17572	5171	0	0	0	2626	1689	1585	3388	2420	0	4972	9873	4833	6610	2097	1153	1108	55597	12704	9017	24039	19967	5794	0	8168	3672	13510	6330	0	19943	13853	47322	98811	87793	9930	4630	0	0	4343	50204	0	2409	121595	Phytochemical	0.6923077	0.9230769	0.0
18	C13 H12 O9	313.05542	313.05588	0.28005654	313.05548	2969	4041	2397	3314	9414	7438	0	1821	6322	0	0	1990	24065	6259	3812	0	0	10740	7522	0	0	3087	2405	0	2115	0	1114	0	0	0	0	0	0	0	0	0	2905	2443	0	3673	2546	2666	417	456	680	1624	3724	805	0	0	2863	3195	5441	450	9652	6497	3698	0	0	1975	0	1648	17942	13712	3595	12761	3319	1577	1450	0	0	0	0	1251	0	0	545	1551	3527	0	2464	1690	0	0	8783	5203	0	3684	4329	0	3325	3295	0	2563	2244	0	2460	2996	4203	7734	5492	0	2291	0	0	0	6215	0	1154	17059	Phytochemical	0.6923077	0.9230769	0.0
8	C12 H12 O8 N2	313.06665	313.0672	0.3119689	313.06674	3022	2804	2739	3030	6479	3142	0	2317	7826	1531	1101	2754	9877	1751	2207	2278	2915	7779	7858	835	2084	3218	1922	993	0	0	1085	0	1661	0	1769	1625	2413	1792	0	0	2609	1183	3585	0	2198	4335	0	0	0	0	0	0	2090	852	2813	2445	4555	0	5607	5619	3603	3351	1117	0	3817	0	14451	10909	3380	8196	4337	5175	0	0	0	1977	2690	0	3302	1064	0	1167	2040	0	1801	629	0	0	4869	0	2078	5015	5493	5280	0	0	6398	0	0	0	3127	2296	3062	4996	5316	4307	1789	0	0	3155	3588	0	904	21442	Unclassified	0.6666667	1.0	0.16666667
24	C17 H12 O6	313.07068	313.07104	0.20607421	313.07074	5681	5877	6953	7353	11704	5670	2281	2095	7059	12533	5616	3872	12038	6235	3366	2983	2297	17793	15795	4699	7903	10182	6658	6435	3234	7560	1516	4638	1713	2138	0	2513	2233	2416	13452	0	2827	3242	3363	3849	7671	4878	0	0	0	4200	6925	2043	2816	2560	6361	5415	5675	0	11812	9293	4636	3777	2261	4133	3453	2386	15493	8831	4253	9579	2817	3324	7109	5389	9003	1610	1277	0	0	1081	0	2461	11414	13716	8317	5791	2567	3948	18246	8923	7712	6495	7696	7824	4902	5963	6272	13516	20288	0	8467	5740	6492	11665	10692	3092	2383	4302	2798	4209	7452	0	3807	13999	Phytochemical	0.3529412	0.7058824	0.0
10	C17 H12 O6	313.07068	313.0712	0.27750182	313.07074	13766	15210	13111	10073	15379	9184	5266	7654	19955	18372	13349	6557	20246	8899	7922	12693	6498	16265	23756	14570	19956	23611	9324	10845	5132	9458	4169	8566	5462	5254	4327	4983	8308	4255	30418	3452	7362	6299	8113	10112	15982	10377	685	0	574	8039	13674	727	4160	3677	12665	13573	10988	436	16130	11715	9493	10421	4022	5237	10329	7448	26151	22319	7087	20313	9921	13097	13647	11121	25487	2725	5004	4019	3719	5045	0	5135	14914	7022	12896	8154	4424	4485	16335	9830	14611	12977	10611	13159	4882	5883	14172	24259	18100	1353	13960	10958	13508	18348	15389	8228	6855	5487	0	12526	11449	0	6881	28090	Phytochemical	0.3529412	0.7058824	0.0
12	C17 H12 O6	313.07068	313.07117	0.26201442	313.07074	20388	22675	18174	21591	17688	11220	12288	12859	25292	41236	38951	10337	22056	10843	12027	14849	10243	29830	37425	31569	31951	47710	16950	15843	8448	24528	10809	17275	8054	9040	9180	9012	14033	8325	55800	3874	10484	10933	11503	24577	25365	10606	964	0	630	15284	20940	651	11965	8514	18634	26028	18019	387	24190	16339	12426	14730	9375	14121	0	20112	34430	21328	9829	23353	13247	12833	22539	30476	50512	8647	6300	5358	9264	10329	633	9893	21345	22649	17351	19911	9164	15410	22290	11487	19649	13048	12204	22711	12861	14201	17504	31923	38844	820	18787	16710	20597	20972	21515	12563	9280	9359	0	14459	18931	459	12699	27366	Phytochemical	0.3529412	0.7058824	0.0
20	C17 H12 O6	313.07068	313.07108	0.2348422	313.07074	34513	31581	29620	28854	43935	21851	17234	10714	40055	48401	39405	14056	55491	29193	20845	16823	19289	54758	58622	42476	30917	51223	25114	20334	13116	31250	14595	28029	12214	11229	9924	12872	16979	10625	56120	9447	20620	19016	16369	26846	34535	20750	3596	1320	1071	26047	26263	2847	11632	9849	26995	32989	34408	1961	31901	31307	24992	25183	12161	14453	16146	20038	52330	39633	18967	45525	25971	14130	29674	32367	50987	8945	6466	6497	7978	12340	1189	11759	42189	46946	27635	25165	9378	26567	54252	29668	36866	29508	29481	27358	19092	21622	25354	55497	43608	3415	23992	27787	28923	40513	51152	24993	12316	20994	18000	21120	26846	1425	19302	59163	Phytochemical	0.3529412	0.7058824	0.0
16	C17 H12 O6	313.07068	313.07114	0.22956818	313.07074	46873	46954	37618	44141	55888	40663	17015	22772	54405	105106	67657	18213	70804	37605	24326	33567	22406	79342	81806	73514	65491	81662	31964	26830	24197	56425	22958	50242	18122	14526	16071	17461	38407	16166	127506	11487	36106	22597	25163	46975	60892	27725	2240	780	1522	44953	46708	1855	19594	13225	46515	54271	43140	1232	53199	44241	34199	37972	19959	24463	28778	39700	67495	46963	25405	62161	39523	22933	54566	58850	81143	17320	14864	8897	11627	21174	1046	11334	49982	78455	34448	38169	21067	37477	55884	34089	47930	36349	34851	50713	36460	41939	44596	85005	107101	2049	46372	50659	47590	51989	42196	30645	17974	27547	22003	22727	39315	827	27914	75924	Phytochemical	0.3529412	0.7058824	0.0
22	C17 H12 O6	313.07068	313.07108	0.2215618	313.07074	15626	17729	9018	15945	20717	13569	9070	6035	20702	21546	19965	7103	18023	14821	8732	6906	11248	25717	26875	14626	20696	27031	12416	12760	9702	16798	8533	10618	5812	4494	4792	6047	9105	5818	22172	5453	11952	8733	12797	15809	21570	12372	3503	0	1549	13979	18943	0	6480	6922	15297	12472	19229	1412	22041	13784	11272	13397	4569	8912	9592	7414	22981	21733	11485	21230	15721	13390	14899	14601	20884	8904	4545	2123	4472	6516	879	8628	22881	22379	18595	16739	5486	10053	27269	16896	22491	15604	15876	17030	10639	8094	11655	28119	22637	2909	14876	16410	15654	25353	21323	11224	8671	7433	8274	9164	17839	0	11078	29855	Phytochemical	0.3529412	0.7058824	0.0
18	C17 H12 O6	313.07068	313.0711	0.23275778	313.07074	42242	50565	43113	34685	47199	35312	27787	15623	43022	85181	73067	14007	69328	34961	23449	30759	18434	87015	75671	66664	62878	71572	32913	20208	23729	51311	26335	46038	16166	15674	15196	19408	29380	19421	102946	10091	29073	21351	21005	47494	53818	30940	3675	817	1390	38980	41419	1833	23430	19628	39181	49867	37049	1205	52283	41184	27495	32272	18115	19511	27925	32548	73751	46271	27423	59517	40480	24157	51666	50912	65313	13828	13146	4872	10826	16511	1134	13462	47270	67092	31742	41297	21368	35988	55830	37145	53897	38063	34430	32692	46893	41101	38493	84060	102867	2259	48678	35686	43540	54965	44563	30417	14201	24574	21966	25246	38220	1620	31448	66552	Phytochemical	0.3529412	0.7058824	0.0
18	C14 H16 O6 S1	313.07404	313.0745	0.21740302	313.0741	13907	18594	15478	15479	24186	21035	4027	2518	14605	49244	22065	2551	29261	13740	6643	6252	4724	42332	30173	32042	24669	37176	4400	5626	6775	13044	4511	20169	5221	2229	2555	3914	5868	6543	46315	2166	9214	5049	4983	37344	15682	9990	583	0	0	12251	6233	0	4344	1676	14739	14250	19072	397	20487	14502	12043	9492	19911	8050	8352	29392	10914	13443	9885	23298	11837	3234	10088	20430	12318	0	1502	1405	2191	0	316	3093	7423	26436	2376	8830	11800	18097	11791	11698	7628	12181	7968	7199	41728	57804	8818	30301	56780	0	12333	13598	15811	10780	8719	4277	2121	14652	6743	5694	13878	0	4925	27452	Organosulfur	0.42857143	1.1428572	0.0
20	C14 H16 O6 S1	313.07404	313.07443	0.24055937	313.0741	5113	6773	3761	5771	8803	11489	3797	0	7997	10831	5607	1687	12542	9369	2702	0	3041	16662	10430	8386	6481	9254	1797	0	6512	6332	1747	9278	3496	1693	1867	3089	3402	2598	11536	2895	6060	1526	5185	11853	9285	5462	638	0	0	3147	3666	457	2858	1653	6097	6178	7931	296	7112	5012	4904	4225	8005	4252	2850	8463	4194	8612	4584	10647	8685	3172	5531	7070	4362	1913	0	0	2776	2445	282	1649	2609	8855	2636	2760	3543	7658	2665	4862	5240	5117	4650	5239	25115	21140	7688	14768	12635	0	5515	5473	4795	4422	5611	3907	2673	6539	4600	0	5907	0	3717	10758	Organosulfur	0.42857143	1.1428572	0.0
8	C16 H12 O5 N2	313.0819	313.08252	0.41511273	313.08203	2924	5802	3688	4258	5435	2955	2217	2385	4918	12074	7396	1905	4613	2767	2484	3030	2623	4054	5816	7658	11647	8637	4484	5001	2481	6236	3704	4270	2527	1710	1727	1840	3529	1765	13164	1707	1923	2151	6384	7530	15429	2148	0	0	0	6177	9727	0	3555	2330	5299	4475	3839	0	6267	3417	2835	3572	1265	3913	0	3774	7685	5480	2000	5594	2878	4710	13023	13643	25188	2281	1707	799	1783	1265	0	1577	5071	3226	4270	4912	1730	4096	5054	0	6727	4526	3538	12248	0	0	7812	7465	8006	0	5281	5153	3220	6834	4062	2777	2500	1673	0	4785	2438	0	3222	6318	Phytochemical	0.3125	0.75	0.125
26	C16 H12 O5 N2	313.0819	313.0822	0.40747556	313.08203	3802	3482	3343	2508	0	0	3095	0	0	0	0	11421	0	0	8297	12209	17905	0	0	0	0	0	0	0	10090	0	5889	0	6587	5831	4764	0	2304	0	0	0	1538	8195	22073	0	0	0	0	0	0	0	0	0	4320	9763	3184	3764	0	0	0	0	0	3004	0	0	5623	0	0	0	0	0	0	15375	0	0	0	0	0	0	13705	4536	0	3689	3543	0	4990	0	0	0	0	0	4091	2563	0	15328	0	0	0	0	0	0	0	0	0	0	0	7000	3326	0	0	5359	0	0	7472	0	Phytochemical	0.3125	0.75	0.125
16	C16 H12 O5 N2	313.0819	313.08237	0.25532213	313.08197	3930	11044	8241	13711	4710	3663	5848	7453	4583	16774	15384	3604	4819	4045	5004	13719	12786	12806	6175	6068	11535	18985	5148	6436	5661	13627	9436	9185	6494	4803	5845	4040	8580	5462	16950	2600	10822	5939	15990	16174	41633	6829	282	0	0	7250	23763	0	8967	7777	11721	8814	5173	0	2149	3449	5208	9340	3935	10459	9491	11049	7496	4761	4493	8065	6615	15252	17903	18296	34592	6558	4649	2081	8250	4748	0	6040	13410	18162	10526	10901	5976	10142	6039	4313	13931	6779	7288	29295	7520	12983	0	23670	28244	0	12039	7444	5035	6582	6196	8013	6242	3996	4086	0	1711	0	11670	6647	Phytochemical	0.3125	0.75	0.125
14	C16 H12 O5 N2	313.0819	313.0824	0.2883611	313.082	10769	10602	12827	8364	8667	4001	8880	11336	8402	9982	12625	6974	4941	5323	7602	14494	20645	5614	6929	9341	16272	14317	9012	10453	5785	20984	6857	8734	8399	9360	6119	0	13863	5173	11961	8351	5845	7690	18635	17399	33407	6814	0	0	0	10780	23482	0	4753	9404	10017	9541	8917	0	6927	4534	4298	10933	0	8896	0	9260	9736	6484	6105	8004	8706	14732	19001	26511	48615	8449	4133	3132	9609	7085	0	5183	11864	25700	7679	9623	4292	8658	7046	3780	13252	8213	6044	43389	8359	6400	19276	16574	23239	0	9360	7943	3867	10290	9569	8277	8145	5218	0	14640	4898	0	9719	8516	Phytochemical	0.3125	0.75	0.125
18	C16 H12 O5 N2	313.0819	313.0823	0.26272544	313.08197	6876	6185	10230	7090	4859	3227	6209	4449	3549	8957	8973	4208	3407	4042	3206	8172	9254	7017	4798	2918	5353	14259	2705	6970	2755	6568	6298	5785	0	0	3661	4411	11569	0	6112	0	9434	5986	11650	10889	30944	4209	808	0	0	7752	16987	0	4290	4238	6228	4744	3470	277	3719	0	3192	9212	1730	11936	5274	7805	4861	2729	3663	5811	4711	14704	9850	7854	19885	6045	3182	0	7089	5572	0	3779	9596	15807	6301	7875	5031	10056	4532	3403	9993	8887	5166	26303	6976	4639	10110	20416	14675	656	10384	6706	1303	3334	4196	10671	2088	5863	6675	9068	1841	482	7466	4860	Phytochemical	0.3125	0.75	0.125
12	C16 H12 O5 N2	313.0819	313.08243	0.32199648	313.082	17618	15979	29133	19344	18069	13070	8698	19128	15411	26496	10623	8733	17336	7030	8299	17763	28572	27934	24396	20397	33027	50294	19930	20304	14705	25644	7216	10282	11957	9310	12732	15142	26035	13581	35972	7256	21132	14747	32219	36126	73819	14643	370	0	0	24912	33493	0	17213	10098	22718	19541	14874	0	16336	11417	12362	27403	14566	27364	0	23057	22409	13947	8904	17904	14179	25851	23706	36125	60154	11507	7746	6254	8220	9108	0	13378	21914	0	13300	24228	19072	23976	13867	11282	26696	19403	15917	52432	29768	40969	45763	36967	39172	0	26341	18426	12595	12399	13704	15423	12940	29040	0	25519	18038	0	26312	31437	Phytochemical	0.3125	0.75	0.125
10	C14 H16 O8	313.0918	313.0923	0.18028799	313.09186	401700	349861	362206	347722	655408	431964	137459	169634	1782608	613891	456837	178311	2391664	307171	181510	207431	185084	1033128	924858	512989	641871	413111	245246	174884	75626	160721	142099	234050	182547	157022	149480	183291	366628	178997	719027	170626	356772	176942	219225	399766	1085938	325399	13762	2746	3417	193035	247093	2545	200813	140039	370988	378963	508671	3890	1228237	717282	274790	228475	199249	216026	247195	328384	996880	1011910	236049	1673174	362617	214757	380571	301319	470691	149916	169403	147256	197964	159919	2949	151148	265476	248591	199484	156230	122177	157646	1332558	326524	250831	316458	360749	168096	166542	260857	192411	446769	435773	4653	393432	409587	589608	662837	663527	327579	172982	250106	183424	163176	1212344	3106	95922	2548940	Phytochemical	0.5714286	1.1428572	0.0
12	C14 H16 O8	313.0918	313.0923	0.18497689	313.09186	399415	439317	432106	442108	754721	494900	183781	203407	1103875	571982	415171	173742	1196420	343365	229090	219123	205026	1273663	1160406	523361	653300	486157	281339	178287	107229	151837	165398	256832	238828	167947	192729	217516	412797	214762	763806	187542	383940	222281	208513	451984	531747	362754	13774	3136	3438	222359	268131	2778	207946	172138	443102	433527	647849	2957	1597237	720885	362494	234966	270856	236592	251933	410520	1390845	1169679	248874	924872	423996	211811	412593	349152	489567	168987	193306	175569	190713	189215	2253	205144	257432	246828	215344	188523	133596	177264	619281	361437	260571	322083	451042	200153	218644	376819	215483	400288	393453	4875	476772	436626	676388	613301	571184	373778	192391	240781	169080	191107	674699	3169	102896	3333008	Phytochemical	0.5714286	1.1428572	0.0
20	C14 H16 O8	313.0918	313.09222	0.2372142	313.09186	21026	22623	17683	14818	24379	28028	10671	19656	33218	12374	7511	17621	46414	19931	20147	15185	15403	43538	31129	16054	18361	14737	19505	15844	14139	2286	14476	7306	13197	11303	19293	14289	20856	15460	21571	14391	23633	17348	14613	11893	9425	19270	4299	4320	3923	16867	13112	5012	16372	11543	23559	21504	21597	2870	41805	22943	17920	16184	11196	9761	16959	9754	40065	39545	13142	35876	15842	10502	11686	8101	11097	18512	19002	15419	10317	19506	3414	14843	24689	9210	17018	12675	14059	9366	27580	18541	21750	17899	18926	12047	10740	13934	20009	10614	6269	4910	21909	19314	18632	30785	25304	18119	16624	14718	9439	13740	22411	3796	14236	51189	Phytochemical	0.5714286	1.1428572	0.0
4	C14 H16 O8	313.0918	313.09238	0.19601537	313.09186	20933	21915	18682	17058	32877	15980	6321	12104	40700	17667	18792	11711	54210	17344	11421	15560	18463	88000	41177	15624	23540	19042	16404	14043	4946	6540	8030	6853	10218	9399	10266	9602	16332	9958	23184	10825	14810	10961	19134	10835	16979	18427	1946	968	2211	10554	14664	2029	12768	11411	19626	16918	25417	1687	44176	48547	18296	13210	10321	13559	15852	8553	63065	44661	21253	38504	17771	18925	17670	8996	14100	8706	9337	9475	6679	9473	1099	10195	16815	5087	18356	5724	7753	3950	46499	20538	13542	20943	22151	17276	8724	9385	14114	12229	10774	3633	18180	21762	33448	61072	57637	17667	10508	14348	9660	13703	33214	1372	7543	67232	Phytochemical	0.5714286	1.1428572	0.0
12	C13 H16 O7 N2	313.10303	313.10352	0.22819586	313.1031	40766	42711	45726	40185	31666	35352	31990	35959	41857	18872	24967	41811	40864	15451	40819	50430	75470	64144	68388	23620	21219	54407	47586	43551	36869	3115	21965	11319	39526	29343	42940	40617	67509	34575	27556	33734	57336	36415	82935	18762	23008	47332	843	0	0	17643	18670	0	43207	33911	35826	49463	45081	298	45080	19749	32754	66238	27372	29888	35769	20926	43692	43665	29430	47568	48441	80001	0	11487	11381	31077	27635	23231	50349	27524	0	42488	42189	20912	32396	15167	16384	7688	31920	24942	41867	52679	52126	87417	37328	59491	83991	24537	19604	0	45646	39023	28356	22735	19638	60402	38641	20893	0	68684	33873	0	27055	74098	Peptide	0.53846157	1.2307693	0.15384616
6	C13 H16 O7 N2	313.10303	313.1036	0.16979212	313.1031	88255	99106	86095	91099	77375	54378	40392	87946	109423	52955	63020	79984	109833	23866	68735	111023	114189	141907	139449	53154	88859	115814	88785	104255	27915	4990	44748	24797	65851	65797	84602	83326	117452	77258	71961	76265	113121	66490	153949	47138	92139	89962	0	0	0	60215	84705	0	90719	81574	96101	94958	83407	336	138970	65948	61869	95745	63731	93293	109897	45229	151807	116927	62558	107545	88994	155928	17790	18666	25269	76449	77982	64893	64028	65184	0	56570	57709	23243	47229	32085	31604	16930	73085	58558	62503	123594	114632	170457	38757	67065	170389	51821	44489	0	90674	78393	55418	60232	66829	120324	69038	86305	49222	118800	71136	0	45151	211386	Peptide	0.53846157	1.2307693	0.15384616
2	C13 H16 O7 N2	313.10303	313.10367	0.19437505	313.1031	18672	19164	14652	18860	27386	21553	8321	21030	28125	5877	9246	17546	41867	10805	11721	3209	14536	35067	31224	7540	17998	25197	18865	18732	4889	1895	0	4341	20261	12902	24330	18570	31285	21023	14380	18533	21100	10579	12166	11114	11373	25889	1964	1651	2634	10091	8096	2532	19778	12551	15965	20802	24339	1711	32856	18115	13924	23763	9273	9693	7543	4668	62723	32449	14559	38823	30668	18529	5663	4223	5180	21792	21313	15079	1608	17864	2238	11252	11193	2840	10267	8320	6693	3618	18299	12024	11830	34817	29994	23618	9052	14543	27775	8634	1582	5360	17171	18497	15893	20790	17006	17990	16054	10402	8242	30407	12611	1640	9799	69092	Peptide	0.53846157	1.2307693	0.15384616
4	C13 H16 O7 N2	313.10303	313.10364	0.16566353	313.1031	32422	35305	31504	30104	31897	17184	11499	30435	41278	15435	21014	24417	45859	12011	22899	34317	48524	54988	54426	17769	26927	43915	31240	38659	10147	1885	17342	6325	19974	21754	26568	24066	35893	22730	23712	23847	32934	22733	63538	23057	29073	33966	0	0	0	21296	27074	0	29732	26359	31460	27904	35283	292	51778	36423	28508	32426	22438	30639	35105	14853	69268	48537	31944	44712	28369	54471	6386	5087	7021	23509	21516	21332	15266	20090	0	21517	24525	9578	19198	11178	12504	6125	40352	25916	22383	50353	41273	55514	13031	19359	64105	14384	15730	0	31225	33633	30820	42062	34282	40567	22355	31293	15768	40126	30402	0	15732	87117	Peptide	0.53846157	1.2307693	0.15384616
16	C13 H16 O7 N2	313.10303	313.10352	0.37239304	313.10315	6026	5808	9498	5902	5100	7462	4420	5981	2862	0	1342	6206	3227	3910	7137	5939	9471	9617	8014	0	0	5405	6583	6213	5656	0	6915	0	5362	0	3956	3490	10219	4362	0	3095	8386	5336	9209	1552	3208	4581	0	0	413	0	0	0	4573	5070	5904	7031	6894	0	5378	1417	6608	5940	3907	2522	6261	2056	5348	6198	4216	8134	4611	6037	0	0	0	3880	3803	3920	6569	5371	380	5632	8773	0	7191	2011	2869	0	3549	3475	6436	7062	7364	0	20535	29616	0	0	0	0	2955	3925	4908	2512	1499	7055	5110	5282	0	14146	3114	0	6620	11095	Peptide	0.53846157	1.2307693	0.15384616
12	C18 H16 O5	313.10706	313.10754	0.18380237	313.10712	77650	86581	71368	88266	47300	31935	57063	77738	58200	104561	72986	46959	42716	27991	44316	79141	68093	54260	80644	110877	102412	86243	55802	82235	46932	141659	51042	55902	62921	56746	57463	69304	58587	47818	125318	59160	61960	55877	79316	94113	104506	40034	4163	2201	2755	78672	89249	3351	64289	67917	80333	79478	47367	1988	54098	44823	37157	82567	61332	61178	75950	51355	69533	47954	30636	51276	35395	64588	136032	154784	192982	57860	56637	54239	60847	70217	1911	44499	79658	48473	68399	66879	49983	56008	64178	39011	70936	38894	44038	106524	65470	66665	93718	60198	84997	4412	79401	84908	51585	49275	46114	67749	52516	74302	57288	61661	42084	1731	58729	67192	Phytochemical	0.2777778	0.8888889	0.0
22	C18 H16 O5	313.10706	313.10745	0.2079831	313.10712	86025	82395	64239	77518	88156	61766	34381	49964	85116	164942	148582	33188	85441	66188	47409	52670	46545	110334	114388	147859	169951	126840	61498	68713	50045	210902	35988	146569	49896	35300	39987	38761	59851	39776	199453	38548	61336	45900	41662	126643	148186	51907	17065	7430	6097	94566	89903	6261	46543	40374	80542	76312	75543	6483	82630	68398	52049	54598	44564	44990	55251	96142	94631	62986	47708	96199	69573	43262	203724	219408	255108	42988	34981	29621	26109	43901	5704	34022	86490	101983	61054	73495	42820	104714	100516	65165	78262	65313	58174	67418	73870	69779	75347	135941	137075	16623	79065	75637	70100	78407	82543	62642	37454	57162	62893	56618	69948	5659	59174	101106	Phytochemical	0.2777778	0.8888889	0.0
28	C18 H16 O5	313.10706	313.10745	0.15330037	313.1071	9681	8412	7691	6590	9011	4909	5067	6626	6722	11534	7536	5096	11922	6797	4875	7914	8609	10117	10304	14294	13757	13996	7383	10437	6405	15994	5636	9993	5456	5399	4650	4653	6398	3774	15008	5711	5154	5374	6644	10009	13253	5820	3304	1812	0	7944	10017	3726	4033	7213	9081	7979	5919	0	11670	10323	5978	8256	4943	4845	9957	5832	10046	7134	4881	13140	5537	6807	15640	13726	23335	5294	3949	5333	5612	6023	3683	5189	8316	12326	9401	8217	5556	10161	12389	5919	8621	6040	6039	8576	7626	8000	8859	8680	13705	3455	9282	9192	6681	11854	9709	6391	5876	8691	5601	4603	5563	2434	6971	9664	Phytochemical	0.2777778	0.8888889	0.0
10	C18 H16 O5	313.10706	313.10754	0.16776401	313.10712	120937	114052	94232	96710	86896	81709	72583	104204	99396	89209	74504	97040	109982	40035	86991	118483	140612	137041	144883	89884	102991	136326	110065	121670	64092	69113	74651	49483	92087	83407	85989	101567	144642	91238	112331	95140	130142	91123	165357	91161	105832	83441	5819	2361	3764	84105	84460	3894	94801	90971	120118	119244	95869	2772	135458	69335	65599	118681	87969	95617	128154	62751	114615	125194	70414	107812	90923	172528	83369	81514	113016	91140	85349	77908	97840	86753	2621	79162	115437	50982	93911	60080	59931	41970	86918	64567	109263	105934	103815	187814	66915	91420	197574	69762	82288	5171	111571	115762	72561	71849	76117	118463	92445	90062	46632	128955	80148	2611	80870	168331	Phytochemical	0.2777778	0.8888889	0.0
26	C18 H16 O5	313.10706	313.10748	0.19621153	313.10712	14528	16105	11671	12472	15180	8984	5896	9896	12833	21538	14449	6955	21075	13833	6331	13783	10113	16501	20090	20451	21777	18751	9710	14933	12183	28126	6038	13918	6433	7483	7099	6009	9245	7378	27385	7274	8453	8714	11676	17814	16968	8052	0	0	0	12039	15642	6453	6111	6392	13754	12605	14500	0	14046	10993	7804	10604	7098	7209	9273	7128	18862	12978	6190	18530	11081	10491	32757	30715	36848	8233	7938	7330	7196	9472	0	5161	17785	16778	11991	13550	6306	11440	16311	9229	18310	9356	11574	14545	9875	8514	19147	13896	26228	0	11368	15274	8515	21005	12582	10531	6290	7679	9004	9050	9130	0	9564	19437	Phytochemical	0.2777778	0.8888889	0.0
24	C18 H16 O5	313.10706	313.10742	0.19064614	313.10712	28791	31255	28293	33037	30545	22088	8420	15688	33526	51313	46768	15207	48252	23140	18421	19456	18345	46418	39704	45087	48234	43391	28679	26058	18494	70758	9097	42198	15474	14760	15159	13813	20869	14536	61366	16566	20714	14384	17103	35946	45746	17816	6478	2348	6021	33046	35538	5569	15146	15839	27486	29204	22487	8184	28313	26923	14182	22897	13963	15202	24513	28995	38645	29941	14194	42806	23913	18357	63183	71019	90129	18058	15043	13798	12691	14486	0	14829	31064	35227	25237	27109	16292	31259	47956	21048	31369	17846	22430	23789	20603	25986	27615	44100	41551	5677	31383	25632	28160	38031	38772	18206	16502	17962	23209	16919	24216	4699	18037	36915	Phytochemical	0.2777778	0.8888889	0.0
6	C17 H16 O4 N2	313.1183	313.11887	0.26336756	313.11838	12425	13766	10174	10130	6072	5397	4977	8805	6959	27351	21746	5532	6401	4347	7774	11742	7220	6987	9671	25443	36358	14844	8224	11310	6464	34240	4841	18485	6219	6799	6097	7148	8876	8055	26547	9034	10755	7247	14168	17908	23943	5856	0	0	0	18293	27747	0	8072	6186	11355	11761	6259	0	7377	4343	4481	11446	1999	8523	8372	11325	6724	5093	2490	6137	6528	12667	29441	46996	62727	8194	6343	5595	4826	6758	0	5427	7993	18846	7209	8509	3618	12026	4963	2870	9495	7739	6513	19141	8657	5486	18710	16998	22110	0	9927	11307	5333	5662	5619	10502	5071	8856	8367	11761	3368	0	6850	8004	Phytochemical	0.23529412	0.9411765	0.11764706
4	C17 H16 O4 N2	313.1183	313.11893	0.25432792	313.11838	4026	4393	3737	3491	3571	2354	1733	3230	3293	6357	6474	2564	5661	3005	3843	5329	3435	4853	4501	8270	12004	5613	4239	4458	3201	16771	1764	5938	2158	2014	1971	2563	4100	1730	8595	2361	4342	2666	5221	5047	7850	2208	0	0	0	5215	10432	0	2552	2286	2984	3568	3205	0	3896	3740	1996	3032	828	2861	4743	5365	3598	3638	1312	3886	2031	3687	16115	15282	20662	1895	2286	1799	1761	2312	0	1994	5743	7361	3039	3842	1917	5701	4485	2950	4222	2815	2662	8005	3743	2649	6068	5407	9289	0	4029	5245	2477	3230	4331	3455	1982	3337	4077	3562	2529	0	3377	4146	Phytochemical	0.23529412	0.9411765	0.11764706
24	C17 H21 O2 S1 Na1	313.12326	313.12378	0.41443726	313.1234	0	0	0	0	0	0	0	0	0	1224	3266	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7530	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39627	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12103	0	0	0	0	0	Organosulfur	0.11764706	1.2352941	0.0
22	C17 H21 O2 S1 Na1	313.12326	313.1236	0.28265718	313.12335	0	2953	0	1801	0	0	0	0	0	10516	40367	0	0	0	0	0	0	0	0	0	2921	0	0	0	0	0	0	79200	0	0	0	0	0	0	5530	0	0	0	0	0	0	0	0	0	0	1346	2439	0	0	0	2633	1939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11982	0	317539	0	0	0	0	0	0	2430	0	2962	0	0	3088	2153	11695	1698	1573	0	0	0	0	0	0	106369	0	0	0	0	0	Organosulfur	0.11764706	1.2352941	0.0
6	C15 H20 O7	313.12817	313.1287	0.11946854	313.1282	115997	120103	200770	228356	77928	62674	80083	132446	118748	90491	68901	152032	239648	88286	96729	250820	225110	124703	267990	196252	120098	251672	220864	282024	120174	85162	78535	83670	120066	236638	105501	112435	274030	95395	204232	118243	237674	96965	280884	117766	87714	88693	4933	2884	4705	103925	234556	3535	140009	213814	118372	109497	81977	4433	184110	250730	146038	273396	114617	122485	118404	57859	246400	223232	54754	98281	85436	147921	66728	126920	167464	181086	97863	217466	134634	208260	3206	157520	121394	50522	104217	149212	96670	81610	248338	170628	132663	132768	167408	148196	121016	93478	290574	70982	86527	4879	113851	119011	83707	146469	177484	294194	189374	280772	89210	108422	116048	3087	149308	129162	Lipid	0.46666667	1.3333334	0.0
12	C15 H20 O7	313.12817	313.12863	0.09012303	313.1282	1982434	2270478	2325478	2152838	2189100	859391	1530484	1925176	2644110	2514504	791229	1085688	2577080	549003	1586968	2304446	833843	1743454	3582352	2920462	2921660	2173600	916777	1835346	1286496	814549	1442518	693603	1116615	1598830	1690440	2009396	2605136	1803260	1552069	882457	2409588	1534120	1956932	2099386	877054	1717312	29159	8016	8758	1496344	639493	8242	2228760	1486122	2154574	2133158	2114966	9254	4209164	2032996	1389224	1092118	889848	693227	1128539	1439568	3159128	2830206	1031324	2714618	1817050	1673772	880480	1321727	1125131	756608	1694576	815612	835849	1781632	5515	1447070	1806422	573065	1558308	610571	1618112	648674	1005773	1506780	954687	1369640	1807166	1691384	1842022	2391760	2003402	638668	1882400	15690	2253580	2352320	1942308	2075752	2168940	2377598	1290338	1997312	499328	1613312	2078204	9404	1186584	3520890	Lipid	0.46666667	1.3333334	0.0
10	C15 H20 O7	313.12817	313.1286	0.09024063	313.1282	1346780	1216194	1205164	1110614	1183914	477099	939746	1371184	1376546	616122	390386	432539	820218	585968	491687	1525538	572672	1823146	1872562	802312	1470658	622650	1089356	1404050	796688	484323	918276	349770	1343024	1189262	1077518	594763	1585428	1095906	706168	617015	775018	995784	665932	530758	485803	993992	24541	7568	7944	1018156	875054	7724	1309112	554953	1282832	1278966	1100076	8520	2270170	1255748	695732	1576344	1141630	956382	1551204	344671	1425290	1597114	891495	1408184	937874	634826	489811	675232	628070	557725	526796	1071854	1099144	1132448	6275	859236	1360622	308617	1160132	754844	505253	301164	1319796	843162	1299066	420155	992522	1228034	918062	1128570	1456124	406257	1075788	14617	644884	1355144	491255	1401190	1463532	725153	826230	1417802	336420	535850	1184376	7468	850942	1721046	Lipid	0.46666667	1.3333334	0.0
4	C15 H20 O7	313.12817	313.12875	0.15431723	313.12823	61272	62944	52262	62298	24825	35332	40970	61308	32269	45112	39528	23415	28390	43834	24683	55778	38304	32107	33788	45456	49684	75404	51294	33428	30926	10871	39112	13948	57760	28109	58134	49226	31408	34550	54110	58366	52718	23348	42709	39742	48732	26497	4298	3651	7381	66030	68878	5109	58676	60414	56048	44670	45362	5050	42512	38613	21709	31542	25805	27901	62620	25786	73950	34198	37188	28479	40868	87722	21451	13116	15579	19289	42168	60318	26292	61628	3381	23103	27564	11743	54070	45302	25029	10619	37734	24764	25689	37080	25099	71012	20091	44002	39385	33762	20616	13022	52370	66712	55166	87336	48786	63264	24880	59006	27007	48040	30005	4804	39354	60676	Lipid	0.46666667	1.3333334	0.0
8	C15 H20 O7	313.12817	313.12866	0.07363243	313.1282	313276	629194	467232	642972	250058	188395	214782	330129	321988	246034	170970	247779	349180	229392	258195	380459	316683	667934	809998	376475	330642	701398	306772	364683	177186	165472	429142	268076	348730	339111	567734	711190	334274	266270	651674	614910	682388	247346	363782	223865	467058	245223	10887	3503	5912	548914	274487	3811	795834	584650	317246	321943	230603	5408	499166	605602	201308	321951	529388	268626	370706	303812	352320	714162	161921	288932	232188	333488	204159	489696	607752	540280	297444	253803	528128	346713	3502	230927	377276	307570	300815	199718	262504	289160	623658	366402	348142	346922	264670	367552	168509	549078	387173	188499	481356	8520	632614	343736	474002	393358	777164	719290	234569	832098	163568	259732	544732	3722	214382	357673	Lipid	0.46666667	1.3333334	0.0
18	C15 H20 O7	313.12817	313.1286	0.17416549	313.12823	383217	350236	360684	357554	436706	429255	241200	337956	573328	386002	189943	200809	859138	327080	359493	302465	182262	791692	742086	424618	335867	308940	305535	301042	255802	168852	191051	199261	443102	307745	302654	358616	522588	357940	413263	354104	559810	267904	221268	334934	193862	332340	18961	8041	9599	212526	128980	8374	373089	243395	376532	363598	431791	9316	1079034	502797	272458	388643	316471	150986	319605	239089	624845	641199	197303	568658	364565	210028	176477	306499	225825	291730	288955	344007	215225	334615	7913	252256	293149	162451	240592	148123	231288	165370	379057	325521	280703	253197	368753	184372	340508	456575	358826	188992	260315	10796	357123	391352	340397	393713	414032	446780	214829	318965	114943	258851	356669	9049	195588	782704	Lipid	0.46666667	1.3333334	0.0
22	C15 H20 O7	313.12817	313.12857	0.21343909	313.12823	46645	46501	43219	49841	44085	42897	36436	57236	61160	52989	25215	36358	64591	32598	58241	47596	34179	76851	63754	39714	36145	43860	57183	51305	44482	15710	27510	21107	61953	49624	46233	55377	71020	47036	59154	55685	60644	41717	33472	35470	24382	41650	10713	8826	9566	36884	22949	9470	59151	49341	53032	45148	47093	7730	74599	48419	37292	57939	45559	22424	54197	27592	60748	62022	26510	60656	40645	30433	20186	40909	31257	49624	51204	54323	34667	58178	8694	42318	49428	14113	40127	25678	38330	23925	47750	37211	50663	33498	45264	33114	44925	51560	55055	20493	28245	9784	45581	45974	36149	40732	46193	57454	46782	41253	22352	45214	32820	8644	41662	65633	Lipid	0.46666667	1.3333334	0.0
12	C14 H20 O6 N2	313.1394	313.13986	0.06905645	313.13943	137412	146693	143145	131842	67175	79820	109428	153494	71074	86177	54685	87388	76271	37717	120399	168580	132576	137576	135089	116837	97957	195064	113772	176266	117332	20122	88828	56533	162347	130666	138710	157092	194028	149522	121719	146683	193495	104393	138598	107449	100587	82789	2245	521	489	124765	80860	682	171030	131521	132606	137215	87422	636	116376	38699	53981	184730	142052	96513	174837	77033	72420	78825	46445	93334	85915	135208	27834	68191	49491	133976	133526	130594	105952	124952	0	104760	92255	71906	78384	73029	95329	49563	42994	53124	112398	87624	97128	209637	155396	210456	282688	62875	84214	826	140986	136777	51638	33891	37726	197212	98235	140623	48106	169254	62765	0	97522	136709	Peptide	0.42857143	1.4285715	0.14285715
16	C14 H20 O6 N2	313.1394	313.13986	0.23618546	313.1395	14675	17871	11586	15900	10511	7534	13799	20632	10102	6796	4980	13496	12865	5420	17769	24390	21169	16713	15588	5669	8171	15662	15235	20891	16397	1283	12436	4314	20807	15374	19822	21723	20209	22468	9435	17206	22834	13447	19152	4455	6192	8908	1318	769	0	7439	5553	0	20944	14764	11248	12655	13240	521	8308	7413	9430	21799	8407	8536	18815	4648	5391	9166	6246	13641	11611	16239	0	1831	3407	19012	17553	18575	15751	15787	0	10927	14735	10732	9114	5091	9146	4120	6636	7278	12513	14913	11127	0	27409	24863	0	4320	7823	733	11751	17095	5195	5046	5290	17212	10112	12528	3317	21128	6502	490	15437	10447	Peptide	0.42857143	1.4285715	0.14285715
4	C14 H20 O6 N2	313.1394	313.13998	0.07621921	313.13943	121111	131808	121152	121661	88503	70899	60811	126049	118964	85284	69517	91810	132280	34202	100890	128517	167198	150811	151845	100270	116751	194703	112972	150592	59031	9286	59968	33529	98799	92145	117518	108279	170805	96053	135715	113685	150026	99483	227394	106179	151203	99064	1217	394	472	110595	159361	379	125970	116958	124264	101895	96873	551	149389	78782	69021	130869	130754	162426	126257	78392	166507	128378	62416	115390	85231	177883	24584	25349	31047	101297	89908	110650	57507	91903	0	80759	93466	49994	86767	68572	82395	37039	98950	81189	85836	113357	119464	177405	85428	131547	243379	80762	87215	1285	107613	133072	82601	81494	77435	152576	97813	165440	93555	150330	89190	0	70374	205656	Peptide	0.42857143	1.4285715	0.14285715
20	C19 H20 O4	313.14343	313.14383	0.15695085	313.1435	481009	519158	469036	454203	446907	336001	251947	423002	355541	677778	597314	295325	448000	344720	352887	508755	384241	460754	554603	890899	931330	485416	326543	525494	299333	1587437	276782	562321	400533	375506	333202	401241	482622	418166	753315	368209	506112	267166	384742	674544	773124	338998	25062	12869	8802	395609	420896	13058	425348	362769	488437	494484	371589	15124	334672	329638	265883	491726	324696	339571	442568	418632	395023	314420	212746	476895	347091	401882	1238924	1428429	1901710	400877	384007	332063	356240	407901	6613	282180	428155	424913	340718	256294	343027	518210	396675	283196	428733	425143	375450	512182	504777	449291	606757	414189	471692	23119	476539	489833	333100	415978	437372	485409	278935	506536	283875	424232	310450	11593	337736	448644	Phytochemical	0.21052632	1.0526316	0.0
26	C16 H24 O4 S1	313.14682	313.1471	0.25023353	313.14688	3226	0	3546	2647	2591	0	0	0	0	5417	0	0	0	3757	0	0	0	0	0	5544	6123	4546	0	0	0	0	5413	3599	0	0	0	0	2099	0	3167	0	2146	0	0	4207	5784	0	0	0	0	0	0	0	0	0	2229	2458	0	0	0	0	0	3158	3649	0	0	0	0	0	0	2843	3375	2050	0	3126	3681	0	0	0	0	0	0	0	0	0	0	3168	2359	2614	0	0	2151	0	0	5345	21435	19400	5884	2791	8856	0	3607	0	0	0	0	0	0	0	0	2222	0	0	0	0	Organosulfur	0.25	1.5	0.0
2	C16 H24 O4 S1	313.14682	313.14752	0.8212616	313.14706	0	7917	7339	0	0	0	0	10194	0	0	0	5860	0	3517	4380	6139	8135	0	0	0	0	0	0	13144	2337	0	2360	0	10244	26994	18528	10040	10713	19462	0	9998	0	3683	7141	0	0	0	191	0	0	0	0	0	21239	13207	6498	7190	0	0	0	0	0	9429	0	0	7344	0	0	0	0	0	0	0	0	6692	0	14194	11150	6861	4653	14696	0	8326	4466	0	3541	0	0	3208	0	3117	4446	0	7565	0	5990	0	9480	0	0	0	0	7881	4596	0	0	7410	0	7510	0	8575	4607	0	0	0	Organosulfur	0.25	1.5	0.0
4	C13 H20 O5 N4	313.15063	313.15118	0.019159991	313.15067	4904	6674	4573	5776	2330	2351	2879	5813	4216	2926	14136	3252	3814	926	6245	6576	9463	4135	5539	2937	3059	8083	6057	5441	3762	0	2607	121690	3765	3428	4370	4077	5411	4198	4969	4122	4906	5060	11874	2876	2706	2838	0	0	0	3076	4113	0	4767	4957	5488	5377	2143	0	4615	2317	2990	5975	3924	4448	6393	2322	3420	3081	2288	2714	2071	8923	0	0	0	3569	3591	4169	3558	3289	0	3915	5542	26197	5189	2094	2625	1106	4081	4420	7411	3885	2789	12765	18579	15210	16225	3829	2186	0	5045	5722	3143	2562	3627	5354	3564	4529	0	5356	4178	0	5320	4252	Peptide	0.3846154	1.5384616	0.30769232
2	C13 H20 O5 N4	313.15063	313.15125	0.025621573	313.15067	22275	20388	20189	19297	17088	30339	15185	26966	20265	7734	11603	20594	27292	5839	22067	10214	27854	18341	20965	7700	12306	28204	28484	22632	12193	354	4474	32396	34317	15392	27749	23271	35829	22641	13847	21610	26410	20027	39821	9220	10388	18381	0	0	0	7757	8237	0	25728	16856	21218	20252	19848	0	20304	7695	13057	24603	7636	8476	12045	4771	17873	14978	11915	30513	22345	48247	1666	3865	3009	23293	23540	16681	12333	17835	0	21140	22500	27054	20901	5052	6528	2809	9963	12274	24889	24708	19368	63801	21418	24482	63144	9831	3628	0	21073	20543	12284	10719	10306	20110	20576	10313	5754	30394	17269	0	22386	25640	Peptide	0.3846154	1.5384616	0.30769232
6	C13 H20 O5 N4	313.15063	313.15112	-0.056526326	313.15063	3263	5733	3813	4263	1764	1359	3649	5660	2642	1670	5254	3055	1812	1178	5303	5998	6145	3330	3557	2195	1972	7032	5125	8636	3399	0	3809	24361	3752	4003	4478	4279	4747	3736	3639	3868	4170	4164	7325	1918	1849	2033	0	0	0	2420	3011	0	6105	4618	6038	4881	1847	0	3676	1245	2152	5421	1956	4756	7021	1428	1852	0	2548	2370	2738	6190	0	0	0	5010	3685	0	2171	4085	0	2637	5435	0	3696	2571	2677	0	2338	1698	5588	3192	2540	15337	6451	4725	13744	2873	2324	0	3924	2881	1803	1703	1753	3900	3913	4756	0	5525	2569	0	4863	3032	Peptide	0.3846154	1.5384616	0.30769232
8	C18 H20 O3 N2	313.15466	313.15515	0.063647225	313.1547	14586	11920	11415	10897	3520	4904	5961	11165	1822	28236	20454	6659	2096	3347	4826	12837	8168	3824	4728	38464	28414	10904	6757	17483	8723	40361	5618	19484	8286	8655	8514	10314	8457	9339	22222	8556	10892	6997	11799	20540	15286	6179	0	0	0	14979	18739	0	11678	9247	10061	12302	4306	0	2365	1284	1868	10194	1192	4219	10597	9454	2280	2631	2453	2821	4920	12537	27033	44325	49308	12326	11795	5625	8364	7996	0	6727	8546	17210	8277	2353	1522	21417	840	0	9344	7645	6079	26928	21474	0	25795	14361	25918	0	11020	10941	2456	1036	0	12418	5508	8324	0	13109	0	0	8760	1519	Phytochemical	0.16666667	1.1111112	0.11111111
12	C18 H20 O3 N2	313.15466	313.15518	0.37188828	313.1548	7662	7161	6047	6274	4176	3702	4435	6970	1398	13534	12149	2924	1402	3627	3527	7887	10897	3709	4211	19043	21407	8313	4818	7430	6848	26687	4547	14234	5214	5237	5343	3725	7824	4270	10290	5938	8106	3273	7425	11746	13137	4183	0	0	0	6298	11628	0	8597	6498	5901	4715	3796	0	2189	0	1467	5908	0	0	0	5858	1317	2574	3485	2786	5143	8914	16375	26076	30828	0	5731	3429	8544	3256	0	5341	7918	0	4894	3465	3258	8611	3607	1355	8581	4272	4397	19867	9140	5369	7529	11287	13026	0	5847	8428	1680	1828	1689	4555	2644	5436	0	6409	2392	0	5752	3472	Phytochemical	0.16666667	1.1111112	0.11111111
6	C18 H20 O3 N2	313.15466	313.15518	0.07913232	313.1547	10752	12606	12229	12818	3472	5285	7020	13915	2037	27273	18491	7123	1844	3186	5602	17436	9699	3332	6420	28453	32135	11741	6630	17673	9593	32041	6833	21217	9261	10369	10428	12267	14859	12503	20924	9258	11800	7072	12550	13875	14005	5098	0	0	0	11398	16242	0	15841	9327	10601	11645	4615	0	3664	1157	2338	15407	0	3459	17957	6516	1877	3192	1874	2878	6599	17421	22704	36328	38982	11070	11179	10575	10553	7985	0	6138	9130	12424	5916	2522	1685	13609	947	2277	9539	7318	6239	38234	21678	4844	41635	13983	27473	0	11295	11791	1652	1073	990	12373	6298	8970	0	18428	952	0	9713	2464	Phytochemical	0.16666667	1.1111112	0.11111111
14	C18 H20 O3 N2	313.15466	313.15518	0.3729647	313.1548	38369	46560	32614	39213	4225	5047	4225	5725	2943	19113	75763	5266	4644	4130	4103	8696	7564	5852	6539	11134	13173	11008	3437	11154	5750	20060	5370	210311	8768	5457	4656	7412	8226	6663	10846	7315	10274	0	11019	11300	16175	6105	0	0	0	8690	7543	0	8523	0	29215	37572	5746	0	4889	2651	2523	8750	5447	7651	0	6257	4958	4316	2867	4553	7222	13911	0	22987	24859	6731	7280	5213	9432	6873	0	4692	7007	788329	4915	3548	6470	8007	3614	3873	5987	3966	3415	24106	4076439	295019	14274	154009	46634	0	32295	36453	2685	2417	4959	7676	6170	8300	0	10498	2928	0	0	4711	Phytochemical	0.16666667	1.1111112	0.11111111
16	C18 H20 O3 N2	313.15466	313.1552	0.5133016	313.15482	19695	18465	18864	22257	0	21771	19189	20799	19269	45708	29463	13149	11347	15192	22842	22608	27864	22035	26700	29784	24273	47826	15066	24531	14367	58002	20871	39477	21735	15618	20904	0	27288	16401	27618	17325	30807	14793	40320	43326	62238	19698	0	0	0	22776	19242	0	22368	12156	22161	18006	17388	0	23274	8112	7605	19767	0	21318	0	19263	14406	17490	8667	17670	21039	27960	61182	47037	61653	20601	17199	16182	20364	16068	0	14676	19092	36030	16827	11925	15123	37158	11040	12486	9753	12996	14724	0	63576	30669	0	27132	32976	0	21006	22584	9243	23613	9801	25284	12783	21963	0	0	9624	0	19740	17454	Phytochemical	0.16666667	1.1111112	0.11111111
10	C18 H20 O3 N2	313.15466	313.15512	0.07365511	313.1547	137627	111800	93780	86347	12778	55236	8582	35295	7293	28074	103592	14891	4690	12889	14609	100855	17061	9013	9340	26469	27706	23259	20635	81964	29090	32307	14597	561078	20507	12939	18637	17243	21437	21743	18194	12195	19933	16836	20594	19419	17554	19452	566	0	0	17211	16997	0	22179	20400	107704	132435	9443	0	6744	5025	5619	105169	0	4413	84082	7320	3386	5534	10027	9274	11334	27184	23486	40123	40507	23442	13914	11180	18952	14283	0	12595	30850	3945789	16416	3949	1985	16267	5392	7735	40310	14178	11706	198288	4672375	747028	92268	499130	77837	0	122004	122112	9229	3587	5300	18931	18038	10570	0	69102	8478	0	41245	3633	Phytochemical	0.16666667	1.1111112	0.11111111
6	C16 H24 O6	313.16455	313.16507	-0.022540763	313.16455	20350	31196	22068	24224	6564	11670	22160	40518	14086	12762	12710	21372	16336	5304	23700	41210	29420	14152	9634	20508	19898	30642	23862	32050	19890	8316	22470	5629	30596	34100	25518	32442	29036	20890	19724	38066	27844	19332	36262	10728	13578	15104	920	1062	1522	24216	24772	1392	15811	34554	25642	22338	14396	1443	24406	10427	15752	35456	26846	11069	19715	5998	14118	15046	10074	8466	15194	32776	5428	4701	5506	21716	23140	40760	19958	29442	1197	20622	15313	5821	21026	19266	12154	4048	9528	7686	14717	10282	9147	34018	8586	20798	36232	14318	8877	1567	27466	26962	7188	12109	15105	17044	19594	13333	10434	25516	13174	1148	20658	8825	Lipid	0.375	1.5	0.0
8	C16 H24 O6	313.16455	313.1651	0.044316042	313.16458	37721	76166	30975	37129	17581	16529	63482	44100	45540	36378	24866	59594	61340	14105	69050	108632	93804	48452	33324	36168	43386	81082	28668	95710	60080	23764	70132	11841	44305	87376	35446	82078	71440	29190	53130	47804	36779	57874	56216	18318	44752	48798	2490	1209	1531	73348	32396	1420	84340	83982	60922	75036	22419	1849	37706	60624	39678	41911	64020	30575	54483	28502	23595	22859	17686	52864	20561	100366	13652	30816	16820	63662	64484	45911	74558	86262	1112	53790	93184	23161	64530	49884	40161	50072	58890	21358	97508	31568	23704	111122	23449	36044	117722	41994	46018	2078	78448	78030	19365	32283	38193	92670	54076	87000	14203	73230	29632	1469	73290	44838	Lipid	0.375	1.5	0.0
18	C16 H24 O6	313.16455	313.16495	0.10216555	313.1646	506486	490902	511224	468559	513010	522185	554449	516857	447059	434601	227637	282977	817950	455941	491364	533451	391553	888577	933839	617423	453230	372016	407142	432913	436329	184537	454206	313765	718077	490725	471899	643600	830969	617191	456123	648223	856450	376637	406701	309156	177652	508770	24081	3767	4175	268348	164395	3698	627034	368365	479775	472908	547430	6689	948007	518933	358142	671513	382244	173903	530125	200936	635361	550993	317837	673977	613948	401386	126429	273977	162043	459207	448078	550607	412378	520750	3619	362187	345246	254203	261728	190394	541455	328871	417992	412665	425426	414057	574496	317361	689165	726517	543828	210721	345003	7906	511356	491897	361892	465014	504670	766658	314255	491506	184101	398283	390892	5088	313575	639772	Lipid	0.375	1.5	0.0
22	C16 H24 O6	313.16455	313.16498	0.19827521	313.1646	118533	119772	97964	122433	137844	141444	110854	109443	159685	105870	45774	61429	157843	152308	121285	94362	59178	235485	194441	112644	91249	91562	97969	83006	108449	32708	85562	74184	160816	104188	102348	137069	169284	121382	116482	130208	192396	87247	60979	70915	39503	95306	13408	4474	6428	52214	40557	6322	123062	84024	107034	104985	134597	7284	255188	133679	148110	135660	105262	37906	120681	43537	175641	152764	232817	173867	144707	56520	27326	52162	39653	89242	92706	112686	53277	110279	5491	85551	81235	42647	59436	37304	114306	62150	149480	185987	96101	117182	121493	66674	191878	201403	115335	49436	79747	6464	108681	128850	98923	135475	207077	166235	76098	105647	67986	97872	198903	6245	66990	209389	Lipid	0.375	1.5	0.0
24	C16 H24 O6	313.16455	313.16495	0.20503335	313.16464	26239	26685	22171	25180	28793	22628	23594	27027	29242	20139	12052	16526	38633	24764	27012	27741	16624	37362	42022	16656	23311	16818	22165	20271	23115	8957	19118	17266	28453	26392	25609	34650	35804	28553	24457	26119	39660	20544	21476	14892	10367	21121	6074	3921	5846	17183	9082	4302	28824	19528	25744	25073	24143	5724	44973	25002	18608	32868	21666	11349	31436	12814	41979	28254	18433	32898	27083	20213	7680	17405	10161	28242	30500	24225	20091	27974	0	20691	20387	10247	16575	12303	32636	18133	27437	16375	23796	18004	22853	17156	46679	35013	30765	9471	16153	4017	25374	22449	16776	23662	26131	34539	20578	26118	15880	26994	17793	4010	21822	34840	Lipid	0.375	1.5	0.0
20	C16 H24 O6	313.16455	313.16495	0.12977472	313.1646	340709	339035	361390	284824	425330	425038	322762	340989	422964	316664	141271	179830	646153	380148	359413	314768	187064	700721	718934	388286	310763	246833	251858	256271	316730	99218	264827	201404	551127	348183	339743	444744	591945	432628	346948	403880	685770	240608	184571	208572	97971	337448	21419	6709	4598	179613	104060	5999	432526	237129	356975	326318	399602	6944	697968	401270	241423	433856	294864	111110	359864	131627	510609	460304	197228	516653	437435	200587	71769	171292	93036	317208	389431	377533	254230	373311	4425	246298	207736	145965	153679	119201	345972	204609	291343	284021	240089	263136	410341	179302	537353	503279	346078	143518	195990	9253	335764	349250	250494	315660	338685	567704	219169	400939	164692	278058	292414	8600	189190	613729	Lipid	0.375	1.5	0.0
26	C16 H24 O6	313.16455	313.16498	0.22012115	313.16464	12276	11067	8124	8695	10322	10144	10943	17838	11156	7860	6731	8553	15243	12751	11050	11517	8069	13386	16688	11336	6583	9623	9174	13168	9404	0	10933	9002	15512	19931	12558	12781	20873	13232	12325	17433	21094	8170	10870	6563	4616	8842	0	0	0	9913	0	0	14377	13406	11173	10442	8943	0	16813	12858	9541	15841	9074	4949	19860	4068	14391	14647	5766	16737	12228	7307	0	8069	2618	13862	14242	15526	12298	16735	0	9906	9067	0	7157	6800	14712	8659	8441	8721	12114	8686	9204	9470	24274	18198	14563	5996	6581	0	12299	15596	6228	13493	10901	19322	8879	13638	7171	11920	8974	0	7875	14898	Lipid	0.375	1.5	0.0
4	C15 H24 O5 N2	313.1758	313.1764	0.09183555	313.17584	55302	60225	49907	53847	43390	37882	27861	63958	47178	42261	16953	23652	66097	20361	49097	60167	38177	73358	76726	56670	53199	100063	42087	64174	51574	10385	26534	15054	57229	38145	54673	59778	87618	49670	77111	57656	82189	35575	46106	51924	34765	32630	0	0	0	54221	38389	0	64574	45414	56242	51530	41730	0	76357	25724	18331	75195	40338	20956	61071	26784	63903	50746	13345	54968	40318	43581	9354	26295	21623	46802	42962	49195	27536	37003	0	37249	39056	21701	29157	22667	30275	15924	33564	27649	43258	33237	42995	57583	96644	121930	133600	24871	44185	0	52307	57782	23539	29266	30143	64860	29837	78871	25056	63767	30471	0	29660	85549	Peptide	0.33333334	1.6	0.13333334
12	C15 H24 O5 N2	313.1758	313.17624	0.033625428	313.1758	30939	38477	39272	36015	18292	12547	31541	47699	15878	19021	9545	27776	17155	6985	24963	52071	44088	31447	28844	25438	24996	53009	26451	50497	27700	3290	28765	0	40839	30966	38207	44753	48167	45960	33080	49146	46530	29160	49196	21865	33257	19542	0	0	0	34687	28487	0	47681	39844	37117	27852	19522	0	21308	10166	14804	57958	17435	29990	30807	17569	22425	13083	12099	25112	24995	59838	0	7649	10405	38946	43751	37285	38805	33958	0	28930	32052	19118	25585	21894	30897	18012	13342	11953	33731	23271	21810	81238	67726	72506	81410	23994	32041	0	31082	36334	13230	9466	9015	50830	23554	41577	0	45704	15674	0	34960	26098	Peptide	0.33333334	1.6	0.13333334
18	C15 H24 O5 N2	313.1758	313.1762	0.20921688	313.17587	3401	2587	4355	4180	2480	3211	3325	6652	2825	0	0	1754	3623	2270	6194	7354	4861	3351	5948	0	0	6594	5288	13645	10288	0	3084	3007	6634	5576	7024	3270	13593	0	0	7260	9620	5234	3964	0	0	4684	0	550	0	2273	2107	381	7569	2614	5526	3607	2497	0	4341	1432	1735	7497	1941	2463	2583	0	3840	3512	985	3075	3863	3893	0	0	2072	4911	2082	2632	3276	5020	0	2735	3949	7756	6631	2830	2088	0	1848	1241	4665	3477	3702	9631	18801	11837	24019	0	0	0	5604	6849	1913	0	0	5280	4440	2496	0	11774	0	0	11322	5525	Peptide	0.33333334	1.6	0.13333334
14	C15 H24 O5 N2	313.1758	313.17624	0.10503005	313.17584	22812	28632	23879	27511	14939	15377	23573	22338	14035	11700	3216	13060	19008	9118	17431	34506	30932	27499	25883	16717	10750	31222	22402	34815	28501	1787	18805	0	27071	17591	22160	26374	31430	22461	11746	21424	36927	16168	29169	14775	9825	13303	0	0	0	18386	7953	0	30389	17582	21726	18211	18499	0	17555	7732	10600	43298	19063	15653	27633	6261	14467	17216	7225	23270	14010	30580	0	10464	4947	22119	16985	21408	16306	22039	0	17777	14831	15321	12696	12570	17256	7937	7721	13222	29400	17780	17198	43983	60610	48742	60256	8732	12618	0	25140	27181	7666	6682	6072	35760	18281	22687	19959	33604	11077	0	24569	18551	Peptide	0.33333334	1.6	0.13333334
28	C20 H24 O3	313.1798	313.18024	0.14864013	313.17987	36200	35561	34197	34422	37422	21733	23466	50259	27514	27035	23909	24819	41822	32944	32204	50802	35747	31144	45239	33286	32956	36988	35007	42194	37766	45698	26648	29457	42889	45506	38765	42456	49949	33059	33468	50697	40598	30355	33944	24216	25896	28819	6598	4221	6853	30832	21151	6567	36424	47285	34796	35364	32062	8224	37631	67894	21442	54305	22617	19870	51059	17215	26029	27456	20034	39533	33109	36455	33888	38376	45268	25922	29183	38032	26610	39554	4971	27376	56159	44638	31234	19062	29559	22355	49688	21869	89218	28722	25683	63621	46674	53765	63727	38515	30552	5876	35462	36084	29540	90294	92869	52643	27694	36551	19972	41482	29863	4601	41470	25531	Phytochemical	0.15	1.2	0.0
22	C20 H24 O3	313.1798	313.1802	0.10605485	313.17984	641514	737031	572822	667444	550359	398346	514011	818033	410994	532533	615719	538373	392386	457362	584366	1014154	1001087	530539	541492	722370	757102	793692	555145	833454	646027	1321713	522830	583035	758924	769149	654029	833392	933045	757514	587121	834173	855435	540884	949673	578230	766837	507868	29242	6140	6484	501715	597981	10666	765302	723171	677932	655427	487458	18561	448651	471851	390943	949582	419917	531983	929570	395583	405242	390955	305265	555855	550327	999111	981109	1102541	1425938	597404	602416	659034	818222	734020	8214	461455	684893	672528	583803	435110	484866	445228	546698	444824	777106	591199	552371	1319916	894869	813859	1086583	614881	844894	14212	578536	708166	486487	648081	632106	1246625	528364	733961	399430	837485	458188	9038	687617	430050	Phytochemical	0.15	1.2	0.0
20	C20 H24 O3	313.1798	313.1802	0.10158172	313.17984	454584	530805	466167	418649	355106	259196	404180	506532	279307	374365	346233	397572	303945	284278	437251	685170	800780	311687	448437	516884	518229	451886	349964	566304	392884	895287	464705	347855	507487	505632	402300	535662	636183	456689	395439	546700	598834	384849	743728	369450	568960	344410	14655	5428	3245	292346	411651	6152	513932	490301	465189	479695	336436	4825	302668	322008	295966	575648	312491	470650	515980	273347	310338	272640	236105	320780	317736	807589	619678	707792	1021560	378823	424780	481202	834331	532665	2257	336606	570708	412852	422821	233829	396881	352178	378536	310995	617848	372707	371324	944088	483934	437642	667719	355499	409139	7016	437910	481015	318325	476047	538301	750105	397841	505089	241358	524057	342367	4534	498166	303141	Phytochemical	0.15	1.2	0.0
26	C20 H24 O3	313.1798	313.1802	0.16767438	313.17987	206230	194370	196788	187428	216533	114422	97363	247168	167457	144792	232450	125141	243469	150721	186108	226797	162734	184304	276028	264879	262946	245454	153654	250753	187892	363310	113682	245835	211566	231919	211881	220170	251792	186253	221136	256427	259329	158018	176514	208469	235015	143961	12526	6808	0	157528	139823	11543	206820	190337	218960	187174	173683	0	189369	252011	130867	262325	147674	112622	243693	144480	171898	157696	82975	217863	209377	196948	304065	267320	279683	181122	180130	207837	146939	204592	0	144481	266480	247633	151211	134620	150799	184914	258454	133554	325143	140932	149112	418859	243305	250030	363993	222648	248725	8938	203145	230143	227442	381515	396405	310892	122147	208566	144292	189529	179139	9950	201781	148314	Phytochemical	0.15	1.2	0.0
12	C20 H24 O3	313.1798	313.18027	0.03851946	313.17984	28640	33429	25021	23970	11076	11248	27100	25767	16242	10132	13675	20509	8396	8580	19085	41714	43623	7563	17375	17486	14922	31871	19638	30865	23337	18414	40998	0	25520	26677	18479	27352	20837	13789	16596	25381	24582	23301	46697	13056	25798	14028	2790	1510	1612	17582	18643	2421	28555	32009	27256	35859	8946	1448	14771	11834	13809	34663	12844	20911	23503	6376	10488	8986	11051	6825	11519	43555	0	20155	21956	17445	17176	26128	46479	35727	1443	17684	25491	23031	26202	18231	23479	13424	17376	13671	34181	9633	12333	64882	27915	25278	35962	13062	23987	2055	29261	27654	13791	20068	23972	34431	19353	24307	0	25481	13481	1657	29143	8858	Phytochemical	0.15	1.2	0.0
24	C20 H24 O3	313.1798	313.18018	0.10636827	313.17984	573691	638189	555760	598063	505751	359671	382225	675800	367156	470184	623675	480648	520464	406177	523017	913729	877676	482977	610795	715894	699079	638812	484483	815472	485400	1216680	370583	581393	595359	669990	537432	703341	714850	646128	587842	737934	744760	455811	804658	593134	769400	399730	38729	12358	22159	468863	553438	10876	697347	622297	570248	579035	474473	31893	450915	427597	320691	771748	445325	590428	798806	413654	406353	377636	241774	531097	501321	810806	929625	857679	1080514	579622	550226	609986	566516	631095	9719	446105	706040	648355	519153	390637	461467	489487	499195	326527	790961	481879	483738	1322052	665449	674958	988533	668458	749713	25809	581629	645647	459373	577335	632663	881431	413000	746443	366079	689973	387587	10537	610177	378681	Phytochemical	0.15	1.2	0.0
14	C20 H24 O3	313.1798	313.18027	0.05131822	313.17984	54150	60811	48444	59605	30987	23495	65204	66059	34669	30775	35711	49683	24377	24942	46117	73698	106084	28625	30388	39474	40505	53921	44517	63067	52814	48820	72950	24980	44012	53181	48582	51671	57757	33442	44036	55339	49623	57324	102859	32577	57365	33749	3260	1859	1748	42302	52886	3046	57737	55543	62232	65223	31301	1690	34003	39490	36578	75462	35903	61807	66892	27717	30719	27983	29555	31597	26247	117650	36152	51068	69843	35609	41024	58568	82776	61839	1350	36762	81466	38083	67143	37124	59188	36312	49036	29411	88123	30637	30751	167897	55616	48969	78044	36663	42022	2416	71519	58287	34190	74691	72107	61180	43980	52350	33422	55293	34651	1711	86567	27356	Phytochemical	0.15	1.2	0.0
10	C17 H28 O3 S1	313.1832	313.1838	0.38684267	313.18332	8225	19020	11972	11594	0	0	6136	12569	0	8705	4044	9589	0	0	5790	0	23289	0	0	14023	11151	0	0	12236	0	10803	7678	0	22990	35463	23721	39744	23672	41986	10560	39424	20084	6404	48818	9499	0	0	0	0	0	8892	9966	0	28321	18258	14096	10222	0	0	0	0	2848	23270	0	0	0	4271	0	0	0	5903	3832	23440	0	0	10177	21971	48947	72785	45196	34004	0	8494	6139	0	6496	4888	6046	0	0	0	0	5205	5319	0	0	0	0	0	0	0	10582	22306	0	0	0	39312	12206	0	0	12396	0	0	5872	0	Organosulfur	0.1764706	1.6470588	0.0
8	C13 H28 O8	313.1857	313.1866	-0.050788857	313.18567	0	0	0	1532	0	0	0	0	0	3480	8197	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2532	0	0	0	0	0	0	0	0	0	0	0	11412	0	0	3600	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4050	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	222410	0	0	0	0	0	Unclassified	0.61538464	2.1538463	0.0
6	C13 H28 O8	313.1857	313.18634	0.034424495	313.1857	6951	7743	6298	6693	4679	831	0	0	1739	29442	64028	0	2780	3697	0	0	0	1050	0	0	2101	0	0	0	0	0	0	0	0	0	0	0	0	0	4814	0	0	0	0	16237	4977	2608	3773	0	0	14385	18452	0	0	0	7260	5889	5140	377	5355	0	6413	0	103509	1474	11395	57910	3963	14474	7559	6840	3871	0	3736	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1855	1509	0	2184	0	0	0	0	0	11916	3923	0	7041	5685	1570	793	0	0	0	10071	1417379	0	743	0	0	0	Unclassified	0.61538464	2.1538463	0.0
2	C14 H24 O4 N4	313.18704	313.1876	-0.03781452	313.187	5978	6502	4871	5812	2896	0	4081	6886	2174	2203	1900	3915	3337	1162	4476	4457	5915	3979	4767	2879	2767	6119	5089	7961	4700	0	1682	8741	6848	5709	6396	6617	7130	5439	3321	6909	7328	5354	7101	2383	1803	0	0	0	0	2234	2057	0	6546	4594	5184	8638	2687	0	3543	799	1613	9194	1351	1064	5462	1174	3128	2742	0	3913	3697	8294	0	1102	816	5493	6059	5943	2438	4811	0	3560	5184	27295	4153	0	1930	1331	2045	2168	6260	3334	2982	14901	10945	11290	16901	3593	1472	0	6323	6030	1591	1215	1558	5246	4347	4283	772	7097	1645	0	5067	4373	Peptide	0.2857143	1.7142857	0.2857143
24	C22 H25 Na1	313.19266	313.19315	0.65182596	313.19287	2335	3521	3150	2716	2734	5259	0	1157	0	0	0	0	0	4834	0	0	0	2205	3571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	926	0	0	0	0	0	0	0	17074	0	0	0	956	0	0	0	0	3165	1485	0	0	0	1108	60437	0	0	0	0	0	0	0	104575	0	8950	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18982	98165	0	0	8635	0	3553	3638	0	0	0	0	1452	0	2718	2944	82378	0	0	0	0	0	41943	0	0	0	Phytochemical	0.0	1.1363636	0.0
14	C17 H28 O5	313.20096	313.20135	0.11015343	313.201	3246	5505	3095	4486	1546	2623	9282	3833	0	0	0	2736	2005	3401	3008	6326	10747	0	0	0	0	0	1995	0	2698	3029	12678	0	3205	3009	1319	0	3963	4095	0	4812	3693	2211	9111	0	0	2970	0	0	0	0	0	0	7581	4740	1607	4622	1352	0	2529	2050	2313	9428	0	0	0	0	1746	1463	2310	1600	3385	8227	0	0	0	2158	3382	8382	6498	3996	0	1523	4890	0	0	1989	21236	20826	1977	0	9250	1603	3208	13192	4539	4246	3592	0	1935	0	3521	2424	1234	1299	2813	4119	3917	2390	0	4192	0	0	4706	0	Lipid	0.29411766	1.6470588	0.0
20	C17 H28 O5	313.20096	313.20135	0.1379596	313.201	50564	50240	55947	43370	44096	38931	309461	42995	22066	21031	22947	23454	43409	126948	47491	52810	52247	42265	44770	22114	14437	25730	22609	33725	39910	62845	302898	54814	68384	54402	35325	53598	59289	61080	22354	63810	56610	37836	56442	12434	21145	34445	16590	715	1049	17330	22174	1167	60972	37097	55442	56045	43141	2570	27289	26207	32304	65509	19528	24681	63586	9595	46904	24073	130650	77265	80203	52462	6500	13591	13885	39710	58779	57149	69975	53540	872	28131	35197	127618	16162	25591	373207	294368	26147	35945	57300	37111	45065	48432	136198	87329	43371	27656	27268	5293	46674	51109	28832	29900	37170	77741	27351	39294	29803	43752	23918	664	38417	31779	Lipid	0.29411766	1.6470588	0.0
16	C17 H28 O5	313.20096	313.20135	0.08041134	313.201	9336	11203	15036	14918	6304	5588	63756	5466	3229	3748	3809	6800	3366	17682	9293	14410	24687	6562	7899	5946	1975	7950	7865	7363	10385	24653	54198	5525	14883	10563	11109	13295	16601	6391	4301	16593	12966	6456	25088	1391	5532	7896	1344	0	0	2990	4101	0	14601	10597	10052	11700	7135	440	4443	4622	8350	13881	1390	9469	13295	1377	8566	2231	12874	11656	12941	20171	0	1860	2245	7424	12790	20872	20169	13989	0	6475	6516	18463	5523	4149	129467	95760	7512	9129	14932	5667	9913	24163	18144	11548	0	4033	4945	664	12436	12052	2732	10842	12678	12140	6637	2860	0	14384	5620	0	9634	6411	Lipid	0.29411766	1.6470588	0.0
18	C17 H28 O5	313.20096	313.20135	0.11744236	313.201	23013	24991	26376	23473	14388	19304	160067	26927	8286	5620	8526	14123	13956	46838	17865	41692	39092	14241	14457	7579	5703	15798	16534	17595	25253	45290	137856	25082	32967	27389	22643	26933	29229	28002	10778	35220	28391	18718	42224	3233	8818	22280	5997	0	374	7148	9460	0	31363	19829	25664	24490	22550	889	13548	11114	16094	43668	4582	11629	30144	2948	11162	8283	34154	29743	36219	36006	2619	4181	7974	17629	23209	34108	40286	24349	301	14674	25696	60254	13083	13611	261051	217349	16476	21974	36750	19250	25315	55720	42464	37832	34805	9261	13907	1099	26202	29214	11428	17654	22087	32270	11933	11391	7978	25748	10944	0	22913	7520	Lipid	0.29411766	1.6470588	0.0
6	C16 H28 O4 N2	313.2122	313.2127	0.09493474	313.21222	7572	8035	5605	7130	3968	2671	6361	5698	2262	4076	1119	3360	3827	2649	6773	8915	6127	4516	4646	3798	2566	7694	4295	9794	10870	466	7108	0	7619	3782	5318	6697	10280	7346	5622	6794	9835	4399	3527	2165	973	3076	0	0	0	3784	1513	0	8691	4063	7607	5754	6782	0	2032	662	1221	15668	0	0	10548	0	2259	1092	1358	4763	4611	4847	0	2366	0	5223	5472	4369	4872	6271	0	3509	3752	31629	2885	0	910	1087	1227	2636	12498	4763	3701	15617	23048	9953	20913	6623	5362	0	5762	4871	1522	639	699	10424	3410	4821	0	10245	1089	0	5775	5079	Lipid	0.25	1.75	0.125
26	C21 H28 O2	313.21622	313.2166	0.13885412	313.21625	166932	163977	149975	152470	109581	74512	120680	241832	106266	83706	141841	99500	98347	90806	471325	195184	173691	94797	165953	136123	121342	272980	106398	138006	351422	340863	134523	186504	209147	197951	201924	203937	208231	136376	117141	261006	192043	444027	176165	125054	140906	1163035	4635	0	0	135502	101841	0	201866	176320	161144	168499	115523	0	108787	129799	167089	269684	89259	90874	193712	79170	73737	71936	75365	106497	165085	207776	251058	178864	214666	101573	127221	207861	158783	187714	0	112510	185291	419318	105907	138785	121282	116875	128058	143066	307640	103057	116054	207694	164115	159008	232116	551642	317108	0	166854	182279	121189	129753	139140	288137	110851	154449	146887	153883	108553	0	221413	62086	Lipid	0.0952381	1.3333334	0.0
22	C21 H28 O2	313.21622	313.2166	0.11546903	313.21625	86493	97195	77067	86452	72896	50449	110035	99995	65691	62890	76703	71930	37097	63454	116318	138911	210902	59302	73284	78230	87826	76100	59954	76076	104405	157844	108930	76689	97311	99985	76573	96180	95423	71935	66071	120079	88817	116673	209466	58108	96969	73813	0	0	345	47883	69586	0	96480	97563	93440	94569	73467	683	63816	82080	73978	124952	47129	85619	101904	38286	48575	50695	62178	59690	86154	224112	103564	122143	171146	54930	64875	87620	171332	99518	356	57987	115002	87291	75615	45772	81841	68687	94688	91126	165101	68044	76938	218431	96517	81778	114974	60841	77468	0	79310	93735	71323	98855	88945	126124	61596	81081	39389	79976	65497	0	114453	48565	Lipid	0.0952381	1.3333334	0.0
24	C21 H28 O2	313.21622	313.21655	0.12502685	313.21625	192417	204906	175744	177025	128788	103381	157276	218125	111256	114394	174469	117839	93497	115426	744021	281594	334676	107801	192760	164510	144065	237632	109427	158668	257643	373405	163420	167548	192852	206833	169419	218256	216802	157171	142362	248516	206518	643696	343105	134558	170583	1051302	5296	1974	0	91413	120191	0	218349	209090	192148	192441	122334	0	115122	135853	223721	247706	99242	121684	203547	91372	95194	86973	105554	118305	164470	337537	243693	228521	312634	112741	135135	209858	284736	214843	0	116853	200089	360459	148975	100635	130785	126337	154333	160518	306186	128256	150073	355843	179634	162928	223843	458178	384182	2881	179669	201255	158104	136127	149514	314467	114061	163555	93785	164200	133318	0	217816	78843	Lipid	0.0952381	1.3333334	0.0
28	C21 H28 O2	313.21622	313.2166	0.12313656	313.21625	31981	29968	26484	26161	25703	13925	30840	54154	24691	17534	26120	16450	20916	21406	128085	35613	34647	21883	34930	23473	19971	35747	21337	24519	48091	58474	31504	44943	41652	43010	39342	39214	39779	28936	20846	57814	32960	90293	31931	19411	19327	140828	3138	2655	4797	20155	15319	2670	40166	38512	31270	29830	29350	5233	26000	26615	29781	41980	21434	13851	32763	18831	12695	16768	17275	26888	38483	36690	43162	27594	27321	17327	22373	44579	22720	32813	0	20942	37658	87302	20289	22794	25097	23828	39434	22992	69219	21319	24180	47536	30481	32482	37085	108715	24527	3323	31178	32245	24974	39511	50786	49990	20451	29743	24314	33913	35710	2690	31996	14097	Lipid	0.0952381	1.3333334	0.0
20	C21 H28 O2	313.21622	313.2166	0.11614542	313.21625	36766	39635	31730	34962	23588	12078	44349	30489	20624	16401	20821	28788	16098	24653	41405	50800	99258	24409	30724	24665	30122	20723	21772	34376	37717	39625	46321	23683	40886	36022	34031	41657	45719	27115	21797	44326	36876	32208	95370	19683	33059	21869	514	0	343	16597	22929	0	43060	31100	37359	34350	36079	399	18746	28118	25653	42038	16404	31915	35505	12197	18764	16687	23364	20915	27489	106135	29250	29895	48555	19619	23841	40704	88925	40190	286	22167	55267	25431	27624	16636	33833	25911	38757	30475	60269	27091	29812	106589	43512	31571	44568	18513	20569	597	28122	37242	26459	39286	46149	38956	25952	28712	14402	37512	28353	0	44652	14114	Lipid	0.0952381	1.3333334	0.0
18	C21 H28 O2	313.21622	313.2166	0.1506798	313.21625	10823	9807	11393	11142	5798	3441	15801	11454	7576	2736	4342	9050	3114	5969	9268	12228	33988	4480	6846	4354	4573	9387	7818	9188	7298	7469	18671	7067	11226	10392	9628	12825	14385	12995	4699	13012	6328	11004	38704	4506	6209	6352	544	0	0	3261	5121	0	11290	10786	8293	11163	5443	0	5842	6083	8801	16835	5538	10204	8158	2102	2763	4131	8010	4309	9033	38193	7390	5192	9031	3314	4910	12366	27811	13883	0	5747	18058	6136	12724	6064	8258	7505	11369	9385	21561	4984	6907	39000	12896	8250	14188	5866	2965	0	9905	10269	7781	14259	12204	17804	7801	7100	2623	5943	6036	0	16005	2927	Lipid	0.0952381	1.3333334	0.0
26	C16 H33 O4 Na1	313.23492	313.23538	0.55234706	313.2351	6633	0	5605	3844	8617	78753	0	0	0	0	0	0	0	180941	0	0	0	0	28764	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50273	0	0	0	0	0	0	0	0	3332	2999	5007	0	0	0	0	0	0	0	0	0	0	0	0	4222	378308	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14281	57921	0	0	0	0	0	0	0	6099	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	2.0625	0.0
24	C18 H32 O4	313.23734	313.2377	0.120790504	313.23737	262925	262432	267648	274602	251800	494200	1825942	133591	7747	61305	117775	19724	74026	2338472	12586	70683	53037	118556	236210	84450	48136	29262	16972	48094	12274	262290	1981841	212075	54347	56510	33936	70764	34411	37261	26753	58501	26635	21937	63721	85696	113100	818723	45738	5224	9817	177134	95932	8002	142975	76188	266688	264846	153754	34607	17081	422299	827129	88201	26384	161481	314461	57166	963707	13050	2276308	162429	620996	68032	94391	154159	115524	68448	20945	41680	21604	56588	10394	15041	16411	447345	17676	208037	520255	740348	647504	1077704	26536	0	372714	36254	905687	794054	52230	64361	115318	14655	256469	277390	438812	726983	2970961	28060	13979	238720	57311	44619	1003661	6590	26882	282439	Lipid	0.22222222	1.7777778	0.0
18	C18 H32 O4	313.23734	313.23755	0.21374048	313.2374	0	0	0	0	0	0	6518	0	0	0	0	0	0	1269	0	0	0	0	0	0	0	0	0	0	0	1265	5432	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	344	0	0	1247	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43914	0	0	10072	10986	0	0	0	0	0	0	12991	2020	0	1996	1549	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22222222	1.7777778	0.0
26	C18 H32 O4	313.23734	313.23776	0.17204474	313.2374	61738	63256	62912	62351	23431	41616	359654	35044	12193	22639	85526	14543	19585	159770	20116	15598	23705	19929	17268	18498	26024	12935	13332	15786	12656	54674	303483	352706	25994	23196	15551	22942	34101	15187	19944	22804	10533	33370	33747	22651	59988	67062	30681	11056	20162	38265	68611	12254	39493	31729	60066	56717	18201	32670	9939	22473	44439	22338	26055	69881	30061	29077	53732	13812	137811	42053	65255	31041	29862	20247	44840	15052	13873	19109	23344	28830	23155	9833	19850	722374	18482	76326	91051	81111	31265	72774	25815	49904	31699	39039	711848	951157	16474	119744	47409	11545	58492	65143	36268	24608	79354	19633	13504	36412	86224	11200	48522	9474	22103	53472	Lipid	0.22222222	1.7777778	0.0
22	C18 H32 O4	313.23734	313.23773	0.15361707	313.2374	139544	158249	143887	156843	198113	343831	591890	121761	1144	17022	31042	4347	38193	852349	2512	53951	17914	87998	113523	59547	9409	9409	1407	31861	2144	107673	658066	71046	45515	50244	22803	52630	13706	29102	5069	35314	8808	4667	17395	63192	28460	792692	15118	0	2784	136951	30111	4815	113129	62442	147628	142558	109769	18292	4556	198075	742281	71486	5938	39844	101473	4055	254247	6766	1518914	94689	427803	22091	19678	76542	29254	68853	10396	13052	11520	33751	3281	5155	4268	337099	4791	44781	225720	309265	562640	1082847	4493	937842	335115	12699	679093	663545	11483	35823	61483	8763	128383	173409	217777	753475	2646762	4523	5271	72370	6727	5942	906193	4099	6975	83239	Lipid	0.22222222	1.7777778	0.0
20	C18 H32 O4	313.23734	313.23773	0.20171155	313.2374	9002	7604	10657	6683	0	4401	50435	7125	0	0	3630	0	0	13919	0	4464	2008	0	2013	2868	0	1399	0	0	0	11063	44594	12710	2445	3303	0	3380	2349	1696	0	3139	0	0	1644	6629	0	3947	594	0	413	8015	0	0	7648	5001	10059	6560	0	1427	0	3263	13633	5400	0	1775	5111	0	2458	0	49449	0	5837	2704	0	8202	0	4844	1764	0	1946	0	290	0	0	382212	0	0	42892	45544	11556	35516	0	11046	2352	1473	250445	101797	2229	24713	6043	600	9837	7324	3494	31130	159025	0	0	6507	0	0	22816	0	0	0	Lipid	0.22222222	1.7777778	0.0
24	C14 H33 N4 S1 Na1	313.23962	313.23962	0.27370384	313.23972	0	0	0	0	0	0	24561	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10193	0	3680	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1508	0	0	0	0	0	0	0	2505	0	0	0	0	0	0	0	0	21006	0	0	0	0	0	4291	0	0	0	Organosulfur	0.0	2.357143	0.2857143
4	C17 H32 O3 N2	313.24857	313.24896	0.13261102	313.2486	0	402	496	537	0	0	0	0	0	0	0	0	0	0	441	0	0	0	0	0	0	0	440	0	1630	0	0	0	0	0	0	0	0	0	0	0	0	840	0	0	0	0	0	0	0	0	0	0	0	0	825	435	0	0	0	0	0	527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3030	0	0	0	0	0	0	0	20454	0	0	17376	0	0	542	0	0	0	0	918	0	0	0	0	0	0	0	0	0	0	4233	0	Lipid	0.1764706	1.882353	0.11764706
18	C17 H32 O3 N2	313.24857	313.2489	0.027956475	313.24857	8006	4390	3005	4657	1723	20116	0	0	0	15245	0	0	3326	1954	0	7284	3945	3229	0	0	0	0	0	0	0	0	0	0	0	6132	0	5095	17880	0	3128	3683	1617	0	0	3114	0	9335	1295	0	0	6280	8179	0	28857	34205	2731	2236	0	2470	0	0	0	1424	0	33972	0	0	8011	0	0	20570	0	5794	0	0	0	2210	0	0	3101	20087	0	0	0	0	0	0	0	0	0	1853	0	14700	0	3806	14818	0	11669	0	27345	0	1939	2507	0	0	1262	0	0	0	0	0	0	0	0	34016	Lipid	0.1764706	1.882353	0.11764706
24	C22 H32 O1	313.2526	313.25293	0.1586795	313.25266	7306	5280	5047	5937	1874	1095	12374	4043	1381	1533	2956	4955	0	2933	3467	6802	22816	0	2078	0	0	2006	2800	3144	7781	6900	16144	4370	4837	5829	2225	8569	3443	1292	2099	7512	1326	4992	23502	1428	3315	2305	0	0	0	0	3560	0	3576	4693	4103	4301	2274	0	2705	2901	3336	10067	1526	4193	5055	0	0	1914	5826	3331	8145	23358	1249	2151	4385	2031	2557	7023	19365	6835	0	1529	13746	4995	7585	3627	5301	2814	3346	4309	28039	2456	3353	44516	5622	1986	3944	2170	0	0	3388	2745	2385	3231	2019	8425	2738	2499	1208	3897	4383	0	8415	0	Lipid	0.045454547	1.4545455	0.0
28	C22 H32 O1	313.2526	313.253	0.17237672	313.25266	3779	3323	3599	2667	2064	1422	20235	2782	2419	785	3273	2286	0	1681	3440	4280	6715	0	2433	2140	0	1964	3447	0	8136	9690	17773	5961	5301	4691	1513	4090	3360	2097	1238	4881	1699	5250	7315	1122	1395	2880	0	0	0	0	2069	0	3160	2996	4088	3428	3953	0	1785	2418	2543	5054	2043	2178	2753	1568	1554	1755	2680	2009	6989	9083	6556	2923	2602	1460	2181	5064	3707	3450	0	2439	9805	8648	4014	3676	2152	2282	5259	3635	23862	1302	2545	12906	4888	2810	2103	4807	0	0	3176	3966	2481	6032	7248	5794	2283	3802	4049	3441	4600	0	6625	1604	Lipid	0.045454547	1.4545455	0.0
22	C22 H32 O1	313.2526	313.25284	0.11491087	313.25262	0	1637	0	0	0	0	24200	1732	0	0	0	2147	0	0	0	0	7883	0	0	0	0	0	0	0	0	0	25677	0	0	2375	0	0	0	0	0	0	1674	1821	6664	0	0	0	0	0	0	0	0	0	1525	1103	0	1764	0	0	0	0	0	0	0	0	1262	0	0	0	1481	0	1546	6030	0	0	0	0	0	2029	3471	2710	0	0	1449	0	1715	0	1343	1252	0	1138	5387	0	1250	6408	0	0	0	0	0	0	0	0	0	0	0	0	1728	0	0	0	1165	0	3225	0	Lipid	0.045454547	1.4545455	0.0
26	C22 H32 O1	313.2526	313.25296	0.13759242	313.25262	7491	7966	9787	8161	4259	0	23550	6952	4640	3106	8562	4877	0	5388	9546	15171	22078	0	6141	0	0	3677	5533	0	16095	14449	24502	11540	9694	15400	7158	13606	7466	5763	4032	19503	5529	12853	26289	3564	6021	6404	0	0	0	0	0	0	7619	12568	8208	9459	5631	0	0	0	4805	16298	2616	7214	9006	4066	1893	3019	6594	4258	11145	32461	9269	6543	8854	5038	6592	17171	27794	11958	0	4471	20996	13914	10570	7577	5835	6965	7942	11358	54974	4312	5879	47955	11276	11542	7683	5839	0	0	12996	7192	6185	9272	7207	12841	4949	6336	0	6236	8389	0	21633	0	Lipid	0.045454547	1.4545455	0.0
8	C16 H32 O2 N4	313.2598	313.2602	0.08544378	313.25983	3001	1824	2723	2174	0	0	3888	0	0	0	0	0	0	0	6480	21912	13136	0	0	0	0	0	2849	3507	23542	0	6192	0	863	0	0	2254	0	2343	0	0	1805	5332	10272	0	0	0	0	0	0	0	0	0	0	0	2035	3781	0	0	0	0	0	21358	0	0	7763	0	0	0	0	0	0	20248	0	1884	0	0	0	0	5083	0	0	0	1961	0	3375	0	0	0	0	0	4037	4478	903	8155	0	0	30406	0	0	0	1175	2341	0	0	0	3215	0	0	0	9848	0	0	7011	0	Peptide	0.125	2.0	0.25
14	C16 H32 O2 N4	313.2598	313.26022	0.112528585	313.25983	3165	0	1746	2790	0	0	0	62875	0	0	0	9698	0	0	0	226291	0	0	0	0	0	0	0	14046	58483	0	0	0	0	0	0	0	0	3750	0	3135	0	0	0	0	0	1193	0	0	0	3513	0	0	1907	0	2940	3033	0	0	0	0	0	4657	0	0	0	0	0	0	6310	0	0	0	0	0	0	3212	6752	25473	6622	1836	0	16214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2537	4839	0	0	0	0	9805	0	0	0	0	0	103653	0	Peptide	0.125	2.0	0.25
26	C19 H36 O3	313.2737	313.2741	0.10084537	313.27374	94628	88255	104632	91884	20720	38710	364548	18137	13768	14991	159647	16295	13794	215946	16398	11156	13782	8664	11443	14094	8564	13291	11799	9985	14862	53096	367182	523704	10290	16620	11523	14246	16707	9077	9470	10760	9270	19283	19699	17517	19477	59598	20555	19174	23528	28629	49213	18302	21466	23116	94049	88038	26871	25920	16194	154831	555893	17075	18094	31561	23234	25112	34763	13971	926614	19367	75587	15961	53199	17086	22464	11378	9174	18255	9518	18714	18752	14889	12452	302569	13005	41073	39198	72600	680114	732538	15932	111717	33312	10914	240829	298967	11098	62025	24079	14242	98944	107739	195338	743108	3526717	11568	11653	31805	21351	11279	1257639	16426	35646	28939	Lipid	0.15789473	1.8947369	0.0
24	C19 H36 O3	313.2737	313.27402	0.108781636	313.27374	3414	4478	2659	3266	3173	8779	20772	1962	0	9846	1171	0	5932	14792	0	3225	7856	1392	1733	0	0	0	0	1090	0	0	22839	1625	0	6606	1323	4376	8517	1257	0	3163	1943	999	2432	1225	2458	4325	3996	0	0	4934	5520	0	10171	18849	4083	2551	0	6709	0	0	2053	1871	0	33609	1218	1361	4817	0	6766	4539	939	11512	0	0	0	1370	0	0	2912	17901	0	0	0	2366	0	1287	3004	4456	0	0	0	7815	1529	10014	4951	2247	12374	0	12679	2231	2802	4578	2603	0	0	0	1151	2157	0	2276	0	0	0	15406	Lipid	0.15789473	1.8947369	0.0
10	C18 H36 O2 N2	313.28494	313.28528	-0.11980027	313.2849	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2342	0	0	0	0	0	1460	0	4356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3616	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27395	0	0	21356	0	0	0	0	0	0	0	0	0	0	0	0	6472	0	0	0	0	Lipid	0.11111111	2.0	0.11111111
18	C16 H11 O6 N1	314.06592	314.06635	0.22025931	314.06598	13786	17530	15895	9768	16753	11497	10363	6444	13238	13643	10940	8885	13248	6673	9005	18368	15649	17691	20955	6754	11706	30584	11469	12041	6504	3806	8741	6537	6681	7586	5433	8955	15303	7971	14590	5188	12596	7868	20056	13258	29181	13602	1015	514	623	7360	17539	837	11119	5976	12188	12860	14679	340	15244	10472	9201	13490	5165	16155	17259	9347	19277	15550	10370	13610	15809	19642	9944	7125	11219	5225	3123	1938	11854	6338	341	4949	19648	30925	15963	9645	7399	8641	14788	9670	24178	22425	11264	41418	9537	10631	27114	35324	28087	479	12442	9060	11445	16146	11765	13378	6954	10854	5591	15206	7291	376	11109	18446	Phytochemical	0.375	0.6875	0.0625
20	C16 H11 O6 N1	314.06592	314.06635	0.21271074	314.06598	7397	7582	9354	4997	6113	5620	5109	5563	8758	5365	6252	7087	5788	3771	3582	9682	9870	9896	7992	4330	11589	18428	6189	12258	4577	4281	6324	2513	2387	5588	5750	3243	9191	5656	8072	3844	10940	4386	12718	8437	23917	6722	829	774	726	6588	13866	1599	6368	5504	8110	8625	8587	832	9690	6169	7562	8472	2608	10775	9723	3780	8900	9257	4919	12842	6589	10420	4216	5201	9424	5932	3262	2240	3995	3926	521	4506	12634	15621	6891	4828	6101	0	6017	6426	12579	14922	10533	21416	11106	8899	18003	20809	16186	989	9939	7383	6051	13899	13424	9814	3263	6437	4140	8362	4022	0	11521	13546	Phytochemical	0.375	0.6875	0.0625
14	C16 H11 O6 N1	314.06592	314.0664	0.2364049	314.06598	13007	15641	11419	12179	19590	9478	8604	4014	24011	20635	12109	5522	25700	8261	6282	9899	9194	21402	24708	13731	15609	25527	9738	7511	7238	12834	8845	0	4013	4903	5764	8195	15674	4272	25815	4193	10772	6077	11304	12153	35151	11153	0	0	242	5577	10876	0	7079	4311	13033	8375	13224	0	19460	13813	8818	11081	0	9674	0	11778	28639	26054	11097	21345	12794	18168	0	19288	31869	4091	4163	2450	8169	4307	0	7367	15304	27066	13706	9323	6067	7689	17875	4501	15874	11596	15800	29996	10448	10487	26373	26882	26657	0	12811	13574	14574	18332	15511	11927	7578	7877	0	14890	13500	0	9139	27772	Phytochemical	0.375	0.6875	0.0625
22	C16 H11 O6 N1	314.06592	314.06635	0.16277795	314.06598	6378	4451	3842	6192	5437	5026	4942	5931	3713	5124	1755	5017	5225	0	6345	6002	7542	7876	3856	0	3218	11461	5928	8075	3744	1830	2375	2059	4815	3843	3882	4704	4131	3314	4574	4085	6907	4231	6990	2313	11283	5346	0	0	623	2809	6841	0	5694	5928	4641	3638	6682	638	8414	2740	5526	5565	1388	7655	8024	3351	6228	4556	3206	4024	3905	4296	1970	0	2788	4145	2951	1309	6286	4775	691	2403	9620	8895	7398	4765	3293	2843	5284	4002	5857	9107	6001	22654	4062	0	19096	10347	7947	0	5706	6192	5017	4011	3358	6234	3324	3141	3882	9907	4508	0	6337	4410	Phytochemical	0.375	0.6875	0.0625
16	C16 H11 O6 N1	314.06592	314.06638	0.17478433	314.06598	15114	14679	15911	14747	21888	14812	9172	5795	19526	17786	10747	6746	22616	9235	8183	12248	10721	25683	34104	9616	20034	35042	13341	13172	6573	9327	6501	8735	6326	5320	3332	3647	16061	5835	20326	5028	17622	9340	18643	13090	33212	13439	1058	0	404	4781	18567	823	13319	3589	16250	14606	19139	398	26366	13703	12385	13844	5789	9721	13052	12227	29978	24068	8914	20423	11849	16882	13722	13321	27630	9589	5964	2576	9875	5510	280	3686	20926	25356	13619	12517	6464	9488	21741	10584	21095	17486	13134	44441	12729	13164	0	31366	29323	492	16093	11099	11663	19032	17235	16972	6853	10358	4894	17916	15611	341	11357	24373	Phytochemical	0.375	0.6875	0.0625
12	C16 H11 O6 N1	314.06592	314.0664	0.28066075	314.066	5612	5879	7921	4246	9226	3862	4651	3659	11119	10223	6286	3524	14391	3956	4315	4183	5473	13280	18007	3539	7947	17052	5404	3023	3609	4381	3134	0	3392	0	2555	3130	7488	2900	17528	3145	6049	5491	7616	7268	12374	5992	498	0	0	5218	6763	0	3814	3523	5870	9678	7827	0	18478	8443	4794	8073	0	0	0	4809	16940	15571	4603	15423	8627	5425	0	8024	12015	3313	2086	0	3262	2471	0	4627	9773	16990	7069	3966	2444	4566	11723	4470	7516	8738	8570	21491	5768	7288	15049	15036	14397	0	6806	3530	7521	11443	9029	4632	4172	0	0	7635	8667	0	3168	17949	Phytochemical	0.375	0.6875	0.0625
12	C13 H15 O6 N1 S1	314.06927	314.0698	0.24842873	314.06937	15380	12964	11673	13981	14865	8293	6535	5157	12410	22746	12164	1273	15774	4550	3989	10392	5045	16958	16418	17074	19121	38650	5678	7568	4646	10065	5355	0	6005	3319	5319	6064	10867	6534	25741	5399	11867	4346	10216	34124	41587	5423	0	0	0	14554	21334	0	5925	3503	16161	14047	9537	0	13759	10099	4698	13670	8210	20319	0	18808	13819	12647	4088	11853	7010	6941	0	23413	28886	2115	3889	2596	4274	4510	0	3048	7008	15842	4485	12921	11051	18918	8660	5831	8750	8380	8371	12291	31453	44433	17715	29982	43673	0	8884	14832	8112	12156	12663	7723	3770	15215	0	7163	9229	0	6703	22398	Organosulfur	0.46153846	1.1538461	0.07692308
8	C13 H15 O6 N1 S1	314.06927	314.06985	0.2727873	314.06937	8224	6505	6888	7134	8561	4105	1986	2351	7367	13221	8636	2410	12527	3825	2589	4859	4506	9192	9764	9578	11573	23020	2855	3692	1365	4099	1751	3846	1165	1298	2662	1350	4328	1963	14841	1980	6018	3019	3546	16018	29610	3318	0	0	0	8255	14882	0	3202	1889	7374	6607	6822	0	9493	8081	2055	3430	5266	9821	0	10466	6878	6068	3742	7509	4107	4821	7591	10113	17020	1612	1749	1056	1838	1058	0	1505	5496	9156	2798	7372	5986	7985	5770	0	4841	5472	4436	8885	0	20460	9302	20238	23481	0	7926	5432	4395	8210	7354	5239	2902	9935	0	6370	6798	0	2825	14933	Organosulfur	0.46153846	1.1538461	0.07692308
14	C13 H15 O6 N1 S1	314.06927	314.06976	0.23377682	314.06937	8094	14134	10487	9168	16180	7009	6482	5645	10956	17597	8526	4048	19588	4690	5257	9051	4008	17158	16101	8010	12858	30532	3323	7235	5799	4899	2207	8371	4495	2571	7656	0	6698	4848	19815	5288	9609	5063	4413	20255	25470	6206	0	0	0	10725	11468	0	5550	4542	10775	10144	10510	0	11111	10623	3868	16934	10716	12299	0	20517	8172	10816	3081	14633	7391	6916	0	12332	15945	3757	3288	1587	3305	4919	0	5347	3793	0	4632	6970	8414	10910	7254	4699	7709	11054	7627	15669	24335	33568	14897	21851	34172	0	15194	10037	8534	9509	8205	6467	3391	13937	0	10170	8583	0	6567	12870	Organosulfur	0.46153846	1.1538461	0.07692308
26	C15 H11 O5 N3	314.07715	314.07755	0.29518247	314.07724	2339	2395	0	2082	0	0	0	0	0	0	0	6715	0	0	11925	0	0	0	0	0	0	0	12476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9082	0	0	0	0	0	0	0	0	0	0	0	0	2182	3058	0	0	0	0	0	2710	0	0	4758	0	0	3480	0	1508	2168	1938	0	0	0	0	0	0	0	0	0	3170	40546	0	42957	0	0	0	0	0	32521	0	4018	8912	0	0	0	0	0	0	2796	0	0	0	0	0	5877	0	0	1898	0	0	12251	0	Unclassified	0.33333334	0.73333335	0.2
4	C13 H15 O8 N1	314.08704	314.08768	0.21855575	314.0871	9735	12393	8170	7755	16038	8140	2913	6524	18765	8188	10520	4239	29144	5962	5365	8131	8068	19883	21677	7806	12966	13648	7284	7734	2014	1567	3058	0	4051	2434	4916	4998	10303	4377	8092	4762	7874	4311	10755	6409	14176	8853	0	0	296	5255	10115	406	4958	4443	8213	10969	11792	303	23670	23950	7676	7004	4430	6928	6107	5187	38458	28329	13145	21003	8686	9194	3839	2718	5467	4515	4658	4207	2685	3162	219	3588	5729	0	4213	3419	2845	2418	19737	8488	4968	11811	10562	10402	2294	3404	9638	6741	6042	0	7746	8741	14744	25702	20809	8931	4838	6182	3729	6957	14898	0	3081	43364	Phytochemical	0.61538464	1.1538461	0.07692308
8	C13 H15 O8 N1	314.08704	314.0876	0.22555465	314.08713	73719	71696	60514	68052	100061	55357	20794	33195	135673	80548	96803	45849	181245	29360	35849	51524	61392	142810	132790	69587	134968	95974	45115	44793	12374	7990	23751	30396	35603	31868	31618	39161	65150	34740	108706	34120	66297	31707	65206	81482	170132	69086	1375	288	630	37142	69816	380	44377	35154	65640	66909	81189	419	176160	113720	55408	47306	39121	60566	53274	83081	230210	186035	49983	126354	67660	65916	42246	18547	49097	33446	38334	25897	37534	31033	261	33775	40316	35066	28735	24362	17081	23543	95306	42165	38054	77380	76875	66921	19104	47670	75178	87068	58902	0	74438	66972	87117	109301	100622	71472	34269	49213	29630	53319	93534	0	19589	256533	Phytochemical	0.61538464	1.1538461	0.07692308
2	C13 H15 O8 N1	314.08704	314.0877	0.29612914	314.08713	3685	2997	2840	3128	7866	0	1082	3070	7713	1732	1285	2067	14093	2276	1447	424	1883	9956	7223	1968	5666	5361	2183	1615	415	462	0	0	2166	1409	2466	2131	5546	3500	4010	3046	4079	1322	902	2747	2494	4038	237	0	0	1445	1344	0	1621	1656	2081	4130	6494	0	9882	5868	2332	3010	1214	1429	732	1103	19280	10547	2516	10939	5341	2719	818	1344	1172	3551	2240	1264	355	1469	0	1620	1618	0	1320	0	930	918	5843	2214	1355	5906	5277	2218	1117	1708	3289	1800	354	0	2704	3470	4586	6785	5631	1827	1612	1554	718	4373	3522	0	947	22156	Phytochemical	0.61538464	1.1538461	0.07692308
6	C13 H15 O8 N1	314.08704	314.08762	0.22724111	314.08713	43873	42720	39373	39176	57338	27881	11844	25100	76042	56018	55666	23102	108684	16565	19771	33971	30814	94887	86460	44724	78088	58794	26138	26811	6273	4516	12104	16893	20972	19362	22449	24188	43288	21282	59667	18879	37047	16594	40862	38738	92838	39895	899	0	276	23903	40151	0	28344	21332	38534	36692	53762	368	101469	78140	32759	25904	19269	34399	29864	35345	135720	97727	29590	76959	42751	44354	19417	12882	24494	20955	20453	14140	19224	17030	0	14404	18083	11109	12411	11404	9313	11010	63381	31200	18853	48979	45871	40826	16173	27645	45027	46700	31634	0	40548	41077	46929	72573	76951	43358	17910	28884	17108	32263	55445	0	9793	163572	Phytochemical	0.61538464	1.1538461	0.07692308
14	C13 H15 O8 N1	314.08704	314.08752	0.24701637	314.08713	21359	22761	21240	27519	37683	28972	13965	16266	37559	12167	14098	16745	74877	23233	21762	16539	24334	59486	54682	3908	16842	21680	24184	27745	11071	0	13336	0	15082	15546	12615	12874	27779	15274	16220	12550	25531	18172	24792	10084	19457	29620	0	513	492	9027	23649	1046	12530	12901	24457	19823	34693	803	55508	33775	20992	20595	10882	13552	0	20345	57540	45382	16134	47611	29879	22514	0	2286	5470	14638	12942	13616	19682	16205	421	16575	19253	15783	14811	6646	6401	3192	39496	20027	18466	37345	32693	26573	8652	19003	35633	11453	10955	665	22868	22628	25021	32008	29750	25590	20417	17918	0	25851	22776	559	8722	65223	Phytochemical	0.61538464	1.1538461	0.07692308
12	C13 H15 O8 N1	314.08704	314.08755	0.21202505	314.0871	37298	41240	45931	46939	66403	48562	20358	31814	81731	23931	36341	30385	105326	25712	24798	36461	47855	96915	91905	28333	43269	59199	39288	33406	15015	3348	16591	9257	24818	22071	25368	28696	46870	23679	43338	25458	51692	31346	41081	30373	54910	47926	1736	403	827	18216	30093	564	29883	25148	44423	39989	53348	618	123175	67003	36946	38099	33467	32061	31605	38540	133591	98249	29027	90949	54145	39946	25047	10481	15905	21949	22611	21459	35688	24568	261	26523	30058	19805	24475	15154	11158	9738	65397	32633	31416	46664	53163	53067	23379	30590	58245	42181	18974	757	47910	38609	51786	57120	58564	54030	30816	21748	0	39717	58809	506	13993	165444	Phytochemical	0.61538464	1.1538461	0.07692308
16	C13 H15 O8 N1	314.08704	314.0875	0.23080124	314.08713	4818	9615	6972	7063	18858	11761	4914	6014	13369	3471	1385	7415	26708	13251	9102	6272	7497	24399	22321	2795	0	4216	11973	11300	5229	0	4768	0	6619	3440	8045	9691	10268	6713	5869	6071	9094	6573	9192	4410	4778	8411	857	643	802	4281	6848	739	7212	7018	10182	5003	12508	370	17461	14670	6329	7678	3258	7609	7894	3025	21318	21227	7814	22297	12145	7588	0	0	0	6530	5466	4293	5107	3875	584	7016	11010	0	4077	2329	2524	0	20220	8360	5683	10643	11732	0	4663	8902	0	4030	2304	665	7914	9193	6922	13443	16982	12610	7569	5381	0	0	11610	512	5180	26004	Phytochemical	0.61538464	1.1538461	0.07692308
2	C11 H15 O4 N5 S1	314.09177	314.0923	-0.08694643	314.09174	7779	7192	3154	6412	3956	0	2818	13996	2234	873	1659	4123	901	20148	5122	0	3866	1292	4769	0	0	3959	7607	9769	3622	0	0	12574	17611	8709	7206	20000	7291	2432	0	19943	0	4740	6952	0	0	13741	238	0	0	1821	0	0	3453	4549	4313	5214	5820	0	1104	2824	3319	19208	0	0	0	0	3692	1145	4100	4848	4137	9490	0	1124	1269	740	2564	17941	0	11094	0	9269	10505	3715	7253	0	0	0	2958	4990	19107	3213	10365	88036	1745	0	35727	500	0	0	7795	5969	9117	1723	3018	1982	5038	0	0	9785	2969	0	9001	0	Peptide	0.36363637	1.3636364	0.45454547
4	C17 H15 O5 N1	314.1023	314.10294	0.25047183	314.1024	4030	3135	2239	2395	4483	1986	1821	1353	5768	6230	7318	1553	7307	3777	2521	2263	2509	5278	6143	6413	9306	6362	3717	2499	1799	11893	1181	3787	1246	1709	1562	1033	2367	903	9666	1487	2306	1861	1813	3879	6962	3222	0	249	424	4137	10933	315	1578	1994	3362	3352	3478	266	7312	5027	2573	2992	629	2022	2157	3393	7018	4965	1421	5415	2294	2511	15603	14433	20569	1296	1096	1018	0	2254	0	1554	4099	5311	3202	4664	1426	2485	5340	3662	3396	2467	2853	4737	0	2298	2967	5219	6313	855	2838	4652	4558	7118	7838	2578	2693	2971	4811	1722	5173	0	2492	6128	Phytochemical	0.29411766	0.88235295	0.05882353
12	C17 H15 O5 N1	314.1023	314.1028	0.23740526	314.1024	31909	32212	28596	35452	33054	19751	17332	18833	31882	84157	72411	12121	26706	15363	14933	23263	26188	35847	39221	86065	107005	59454	18991	19575	15479	149828	12906	63944	17638	11127	14341	11267	21781	15576	104518	15039	16795	17804	26857	70841	112905	16783	1204	315	427	41922	62648	649	15445	14470	32684	34228	19188	484	31133	21616	13706	27376	7293	33925	17768	51202	38071	24966	11293	35063	19904	30090	175882	177468	272537	10302	10368	6672	13362	10493	277	12223	32687	50705	20921	30712	16550	44470	29817	13834	31743	19185	19179	49261	33410	35337	41727	63724	73173	599	33761	36611	24550	25432	24212	24310	10069	16009	29152	24592	18487	415	17759	41749	Phytochemical	0.29411766	0.88235295	0.05882353
20	C17 H15 O5 N1	314.1023	314.10272	0.22751224	314.10236	30117	25143	24365	23370	20435	12902	9339	8717	13636	69804	74210	6969	13722	13405	7307	9553	10954	16795	21963	65191	68386	54817	7890	13412	9727	85563	7339	61855	9913	5093	7161	10322	19932	6966	72791	7291	17218	6952	14306	74413	112086	15429	2917	1082	993	29860	65248	1073	12638	7440	32423	31370	17680	882	9470	10620	7878	15200	12627	19762	13282	45385	16849	13265	6466	21956	16331	16449	80535	73699	152223	8276	6226	4166	7174	8836	555	6029	14817	80977	10439	28147	12707	59676	12391	8914	17229	13578	18097	34901	32538	32040	27218	77400	79088	986	23797	27652	11886	15829	14770	16088	6908	17861	29984	17281	12910	1055	9393	16758	Phytochemical	0.29411766	0.88235295	0.05882353
24	C17 H15 O5 N1	314.1023	314.1027	0.20511402	314.10236	2674	4221	2879	2949	2517	1622	1711	0	2227	10217	9588	1501	1590	1611	2172	3705	2763	2315	2391	3407	7585	11856	1802	3066	1840	4716	1697	7153	1990	1566	0	1664	4290	2532	8913	1675	2030	2531	1336	6277	21424	3076	0	0	0	5677	11111	0	1953	1364	2495	1572	3442	0	0	2119	1747	3022	1428	4092	2461	6004	3213	3609	1199	4170	3850	1615	11512	6772	15352	1811	1202	0	1253	1926	0	1469	2623	12964	3648	6119	1856	3585	3698	0	3491	4302	3250	3568	5244	5329	5490	17604	10186	0	4430	5882	1441	1553	2272	2116	1490	4105	4866	4356	1610	0	2763	2809	Phytochemical	0.29411766	0.88235295	0.05882353
14	C17 H15 O5 N1	314.1023	314.10278	0.21760306	314.10236	49814	47191	41606	39448	34871	24521	21382	22530	38514	117449	97736	13597	35442	24489	16287	30710	33956	39778	43820	86068	128232	100500	20320	33729	19280	177047	18439	83686	16747	16650	13956	22781	32626	16998	126934	14031	30674	20091	30687	91286	136200	21129	0	348	330	49181	81521	737	22859	20311	40417	44820	27097	443	32356	22856	17522	35711	21706	30652	28247	55739	47968	29381	19348	34850	27549	30148	183903	202007	299597	12342	12724	11640	18052	19980	418	12559	36673	90622	29331	36472	19277	57743	32875	20267	39853	26890	26583	72153	53036	44252	43708	96290	114479	589	48007	43063	24434	34228	29461	28227	14150	32958	24222	28395	24421	556	24345	34263	Phytochemical	0.29411766	0.88235295	0.05882353
8	C17 H15 O5 N1	314.1023	314.10287	0.24941418	314.1024	19201	25067	18722	19259	18889	13292	10320	10670	25355	60945	45934	9020	27498	9776	9665	16612	13581	20253	25467	51837	63224	31399	13235	16444	9724	70435	10893	34547	10913	11392	8312	8146	13635	8246	61514	8596	17927	10895	17092	32581	56242	10954	0	0	281	25099	37892	400	12601	8257	22969	24930	13319	266	23208	14162	9037	17913	4087	12277	14029	24161	23921	20651	9917	21258	13221	18257	89265	89489	147212	8459	6970	6890	8450	9426	339	10371	18776	23973	13095	15619	6599	24105	19007	9077	20353	13258	12674	30543	14688	14127	26439	35446	49264	386	24316	20131	19763	19006	16867	13935	7873	12054	8312	15024	17468	0	11278	27027	Phytochemical	0.29411766	0.88235295	0.05882353
10	C17 H15 O5 N1	314.1023	314.1028	0.2346601	314.1024	29595	28225	27205	24404	25848	14895	9180	15370	24765	81026	54143	8824	30215	15710	11414	22176	20324	25962	33280	69168	87875	43853	14374	17678	10660	108862	10450	46738	9892	12876	10235	10151	21824	11420	81068	9153	18337	10862	20311	54999	75500	13652	1155	0	455	32110	48006	0	14176	15648	29941	28296	19838	321	28428	17250	11472	20031	5571	20414	18333	26946	29524	25426	9492	26291	18973	21801	127608	125103	176972	11070	9841	6841	11262	9860	0	9839	27396	30289	19194	22073	10725	33311	24844	14566	23073	14953	15181	38300	25073	17423	28044	48632	69236	536	28584	27003	16392	21585	20417	19201	9312	19302	16028	22407	16248	0	16989	29859	Phytochemical	0.29411766	0.88235295	0.05882353
22	C17 H15 O5 N1	314.1023	314.10272	0.1730601	314.10236	10619	11397	9587	11210	6834	4550	2285	2993	3842	28335	32681	3322	4302	0	4268	6194	7666	5289	7090	16416	28381	29591	3846	8802	4003	25893	3491	21266	5064	2182	4371	0	9643	4242	25857	4216	8864	4544	5742	31415	57266	5779	0	0	758	19994	35392	0	4741	3040	9426	8001	4328	667	5201	4728	4349	5591	4510	8905	4090	24758	5083	6622	2431	7976	6975	8052	29370	29161	60665	3795	1583	1114	2064	4929	745	2966	5689	33479	5415	19360	4837	19481	3962	3976	7772	7742	8194	10835	9591	12099	9669	38412	37972	0	10473	9818	4572	2827	5602	8965	3001	9181	16206	5890	4587	0	7551	5134	Phytochemical	0.29411766	0.88235295	0.05882353
6	C17 H15 O5 N1	314.1023	314.10287	0.20820884	314.10236	10321	13908	12404	12871	11882	6328	5898	5132	15239	30772	24561	5049	17671	8060	5478	10632	5631	13979	19134	24128	39754	18353	7028	9862	4476	42179	4497	18233	5640	5070	4783	6170	11314	4721	31769	5478	9300	5775	10930	15179	28160	7225	0	0	257	16844	26007	256	8841	5686	13763	14369	11385	231	16922	10455	7047	9974	1763	7651	9933	9423	16447	10042	5062	15222	8331	11521	54030	55244	93378	4990	5827	3161	4193	5006	280	4867	10274	18040	7942	7816	4095	11336	12762	6448	13572	7588	7310	18103	5847	8488	14066	18409	29509	513	10809	11857	10374	12669	13667	9865	5330	7595	8106	8754	8753	0	5570	16880	Phytochemical	0.29411766	0.88235295	0.05882353
18	C14 H19 O5 N1 S1	314.10568	314.10614	0.24198742	314.10574	10636	8964	9297	7832	6506	7590	3779	3625	4526	18824	12368	3148	5506	2915	5293	5767	4767	8963	4815	14546	17839	18768	5047	8154	4011	7958	3808	12279	3972	1566	3604	4699	5999	0	23489	4110	7536	2434	6376	24866	29089	5375	0	0	0	13422	12751	0	4353	4337	8526	6517	6392	0	5164	2352	3704	9185	14029	13055	5903	17635	4774	3364	2133	5536	4686	7912	6585	7279	14187	3936	3419	0	4370	0	0	2741	5562	19420	2706	13172	10736	16981	3448	3981	3855	6353	3363	6777	41190	46054	11088	19511	34258	0	6288	8575	3964	3884	4605	6196	0	10639	11458	6005	6100	0	6031	6200	Organosulfur	0.35714287	1.3571428	0.071428575
16	C14 H19 O5 N1 S1	314.10568	314.10614	0.23423499	314.10574	12376	16993	14141	15995	10157	9479	4680	4584	7084	33850	16512	2583	9556	4747	3316	8575	7981	10771	8267	43277	22774	38871	4254	9376	6852	19949	4395	16785	6703	3855	4727	5063	10829	5585	40941	6113	12206	4312	11799	50422	45962	6509	0	0	0	32938	22460	0	7360	4284	15280	14286	8203	0	6838	3768	4258	16131	23593	21329	9501	33207	5290	6626	4630	9479	7572	14604	15391	28071	24636	5621	4036	3882	4593	5868	0	2714	8264	24990	3808	23470	18851	28331	7631	4180	10390	6282	7650	0	59858	81871	0	35547	61149	0	13173	14626	5964	5742	5863	9910	4504	20061	22576	0	7963	0	7431	15678	Organosulfur	0.35714287	1.3571428	0.071428575
10	C14 H19 O7 N1	314.12344	314.1239	0.112889454	314.12347	580336	513374	506777	479974	532382	435906	293617	487425	650616	771008	415611	328497	857659	236322	383051	563964	415578	1038260	910123	905477	944626	671476	392258	465882	256503	421531	317180	305830	537796	457302	412868	528312	741870	518128	897065	500418	698617	304279	477109	806552	722562	484090	17738	2486	3246	465186	456383	2220	514604	385667	523890	536464	505084	4754	1066263	502747	507158	571332	507278	435495	596268	497960	631240	744488	217035	612498	428014	467239	595667	587432	595966	430001	451073	475291	421521	424765	2087	302735	319909	279227	283638	323205	344220	309391	529637	367264	345896	434440	468665	378201	375979	586036	567511	457532	667297	6195	533822	619309	413692	376402	443895	651739	336659	659144	316073	438734	527242	2703	229043	959419	Lipid	0.5	1.3571428	0.071428575
4	C14 H19 O7 N1	314.12344	314.124	0.16575816	314.12347	47983	50583	49199	43301	42474	31891	20116	45449	105122	49785	42626	27198	141498	25010	32683	45280	55911	140292	66498	57416	66323	65898	77114	101134	16166	18644	21961	17622	38198	33649	38044	36987	57397	34980	65500	37795	51708	27126	138614	52209	58635	43619	2702	1065	1702	47370	58874	1114	45030	41066	47773	37130	43981	1340	74293	112116	28517	44777	44840	53678	47341	32680	166972	141150	29084	108894	35045	56621	34792	24381	31903	33331	35190	39165	19015	32130	1074	26358	29310	20891	24210	24740	25802	16681	117284	33867	23292	39800	46855	87950	28998	33493	130586	32737	42004	2111	45014	51093	39141	61762	56618	57292	27441	60026	37806	41960	44286	1004	19114	187582	Lipid	0.5	1.3571428	0.071428575
0	C14 H19 O7 N1	314.12344	314.1241	0.121066585	314.12347	6057	8329	6901	6377	7849	17231	1447	8886	6827	7086	2469	4451	14732	0	3711	0	2637	14463	12529	6472	11073	9964	5558	7830	2594	1488	0	1357	11435	5301	5676	10721	13618	24453	8489	7206	11466	1698	2910	9304	3340	11388	0	779	1614	4044	2298	540	10074	5119	8106	6861	10021	708	9463	5466	2112	11180	2805	1740	3556	1748	13976	10370	3866	14861	13016	2543	1871	4049	1913	18118	16615	6233	0	9743	864	3957	1633	1695	1821	1317	1617	0	3318	2817	2159	11510	9705	1774	5478	6490	11173	2671	0	738	5776	9306	2856	3761	4364	8514	2929	7441	2396	9301	3765	493	1917	24330	Lipid	0.5	1.3571428	0.071428575
2	C14 H19 O7 N1	314.12344	314.12408	0.18232031	314.12347	61022	62800	54152	57170	156232	94324	21842	61938	77482	58058	45806	72036	285036	38482	32124	11582	76552	238540	198628	56458	206764	187996	79988	47994	12510	8932	5204	30459	76066	31844	57348	55770	100714	85944	94710	48416	80130	23950	42954	71172	105204	65676	1534	1048	2008	34442	61092	1108	66504	31148	50706	62338	140548	1898	97424	101816	31076	67844	33734	68316	20950	23870	333396	195240	25196	266984	154072	50110	20914	33404	29292	78370	79986	49020	6104	53986	1416	31518	25188	77315	20958	21762	19274	13804	108892	30864	26100	159868	135968	43414	61159	63652	73722	33428	15196	3250	54296	60462	46920	61208	118624	51570	29870	99536	21864	71231	87128	1504	19320	403068	Lipid	0.5	1.3571428	0.071428575
6	C14 H19 O7 N1	314.12344	314.12396	0.13800614	314.12347	164928	184384	150939	155767	135405	100962	90339	170910	187731	197043	140018	112118	224893	57514	117901	176477	168978	263649	272264	223041	280482	462138	134595	194750	64141	87474	83636	77429	150929	145737	132025	152263	194587	148302	234879	152330	175431	111521	200179	151603	240016	121376	3875	953	1827	166735	217027	962	163686	148268	169520	173480	136880	1759	281583	175202	90806	171865	158917	209099	179456	127864	237254	196213	71831	164126	130370	214163	135031	124296	175626	139986	144160	146549	92450	126113	1020	94346	106155	69975	88235	97728	105958	66041	165976	117114	109678	130194	144415	388054	87768	150822	443704	140222	171764	1365	163165	170990	110687	142928	185728	201525	108457	217764	113371	330864	154716	939	76183	314329	Lipid	0.5	1.3571428	0.071428575
14	C14 H19 O7 N1	314.12344	314.1239	0.16137685	314.12347	301503	276815	269487	285000	285343	257328	189316	250179	327880	335877	180709	160527	496406	146666	206838	255723	239029	522266	420830	368857	407752	350102	223066	243158	168871	223018	161721	169110	277614	238643	226309	286180	340533	263692	398181	261759	337261	172643	227401	431550	306552	246717	9538	2931	3160	214811	216096	2178	252216	214300	263043	252750	273411	3780	533167	264298	165576	308790	256751	180487	296391	276468	333104	353441	144924	339759	217279	197218	300472	293560	260834	231338	253265	255475	207054	229074	2428	185149	171772	184714	144145	137613	168545	175985	275700	196757	194124	223136	266561	223617	247610	360730	321877	165715	264334	4920	287878	281349	208144	213893	260632	334477	171180	307439	136139	245139	257785	2992	140012	416742	Lipid	0.5	1.3571428	0.071428575
4	C13 H19 O6 N3	314.13467	314.13528	0.16803725	314.1347	29126	28426	29373	27061	23421	17069	13951	28791	37461	18263	15679	18525	44177	12342	25386	25615	43398	40798	37512	22898	26345	44373	31678	29332	13740	3435	16250	8050	19650	19192	21952	18879	31579	17951	29311	20861	26163	23984	58178	23270	26913	21350	0	0	0	18800	28402	0	21538	22126	30453	23657	23561	0	50064	28704	19561	23644	29008	26933	27795	20657	51879	39072	23390	34822	20486	45359	7291	7324	9805	19282	16702	19433	13710	16074	0	17441	23735	15197	20726	14707	14770	7736	34240	23709	22489	24909	22569	53125	20072	35144	65026	18200	17285	0	24806	29730	23532	30574	30640	29315	19531	28925	21198	31279	30214	0	17291	56205	Peptide	0.46153846	1.4615384	0.23076923
0	C13 H19 O6 N3	314.13467	314.1353	0.01847788	314.13467	13548	15188	14275	15184	18766	11461	4923	19430	18769	5958	3507	10425	22083	5737	7711	2065	10209	31406	26509	6726	15711	16984	12980	17430	5972	985	0	3382	22311	8499	17305	17163	28608	17633	9637	18496	21793	7585	14423	6495	5933	22032	0	0	0	6369	3908	0	20629	11289	14751	14940	22574	0	20786	9020	7483	26214	6493	6251	6573	2761	33542	21170	14347	23942	28816	19468	1321	2908	2547	13106	22444	13154	0	14422	0	8310	6793	5116	5907	2298	3349	0	10337	7437	8066	19815	21997	14752	19625	14212	32115	5029	0	0	15199	15121	8686	8564	10414	15862	7150	11419	2539	23454	11613	0	5673	50440	Peptide	0.46153846	1.4615384	0.23076923
6	C13 H19 O6 N3	314.13467	314.13522	0.12791798	314.1347	33073	37921	33554	34685	21294	17208	21374	43888	33978	24707	21152	27568	37446	11235	39908	44091	36226	43920	47147	24931	34642	57111	32807	44414	22035	1822	19820	17875	32404	30623	32492	32051	46039	30057	33969	30678	44261	33341	47122	25035	32474	25184	0	0	0	27145	35409	0	35364	32348	32791	36509	26910	0	51310	16817	19967	39769	32967	31312	48745	16766	41023	31983	17562	33933	29089	54286	6252	9726	11618	31584	27258	29113	18342	23629	0	23622	32327	15832	24170	16845	15998	8355	28503	26596	34135	31966	30120	74365	27718	44736	87306	20466	19090	0	34841	34872	18235	15898	19723	47076	27974	42268	19078	50271	26099	0	22342	50761	Peptide	0.46153846	1.4615384	0.23076923
10	C13 H19 O6 N3	314.13467	314.1351	0.019162152	314.13467	10179	6673	10697	8435	6706	6893	6915	15014	7449	4369	5056	10365	7970	2870	13136	18592	13380	10473	11329	6463	7771	19055	11364	16378	11912	0	7203	7867	11725	9894	8664	8617	16460	12205	6807	9758	16908	9862	18945	4193	5056	6712	0	0	0	7692	6305	0	12897	11269	11868	8081	6962	0	11990	3991	5029	14063	10002	8478	12102	3411	6506	8283	3693	7194	5907	19393	0	2628	0	14351	6250	9425	8565	9315	0	10457	11456	11300	8196	4509	7559	2332	6026	5078	11439	8603	7531	25749	5610	14809	31223	4778	6992	0	10224	13126	2727	4900	4209	10743	9607	9950	0	15962	5500	0	11457	8504	Peptide	0.46153846	1.4615384	0.23076923
8	C13 H19 O6 N3	314.13467	314.13516	0.10053825	314.1347	22252	20988	18079	21808	10471	13050	15582	26547	16386	13278	12550	15801	16829	6548	21564	26050	26116	21346	24862	13034	16347	30516	19777	29007	16217	1120	13723	16957	17433	16109	17653	24358	25443	23312	16968	22327	29011	18872	30598	13938	15397	14465	0	0	0	14594	15866	0	19822	19105	20187	21017	14133	0	22559	10298	11116	28060	20446	17342	28284	10822	16961	16853	10716	16022	15622	26836	0	5012	4840	18915	17572	18689	16650	16365	0	14871	20370	14094	15600	11601	11909	7087	13419	10412	19644	16681	15266	49052	28280	34913	55502	12400	10798	0	18836	19693	10690	9144	10480	24455	17826	20158	0	31978	12384	0	18300	23631	Peptide	0.46153846	1.4615384	0.23076923
2	C18 H19 O4 N1	314.13867	314.1393	0.14333726	314.13873	50291	55030	41789	47064	54570	38745	23883	47912	71730	30378	28723	42494	90839	21993	35368	13855	59657	76257	79174	32767	54924	71892	42635	44214	15874	16451	7766	24045	45128	30624	48308	47166	80918	43383	54981	36907	59659	32604	69402	34716	45205	49068	574	604	371	25520	33868	0	45220	33483	50665	50924	55280	0	82597	38112	31715	56730	25305	34938	21265	21793	106160	79664	33932	84370	58273	86633	19406	25780	31727	40454	44137	32847	11308	37023	338	30460	35560	21140	30654	17888	15996	10780	48130	32223	38613	63646	63463	94450	37764	46400	106750	31542	14956	1999	51680	48183	37638	45675	38835	44385	37973	34478	20913	68187	40899	0	28159	125600	Phytochemical	0.22222222	1.0555556	0.055555556
18	C18 H19 O4 N1	314.13867	314.13913	0.2102655	314.13876	53154	50469	52610	44684	28656	22838	17015	24416	16614	123009	122686	16726	23526	26610	15454	40741	28965	31141	33974	115635	126528	67690	18268	35996	19187	218031	20785	118895	22961	21490	20919	28654	34005	24112	102107	22653	35260	17553	36852	120158	174997	21137	2111	782	394	52777	66219	564	28516	20577	49348	49000	24911	506	15322	17403	16831	32957	17672	39962	31896	74430	24274	17218	12958	31452	29501	37560	203411	207897	325087	20454	20174	18348	23203	28029	496	18518	29632	77207	25036	38916	26181	74574	24184	19221	33082	30277	21465	55696	62453	65580	62520	76898	98239	783	51380	41182	20862	17543	21643	36902	18213	38876	21610	28587	15216	390	27214	24834	Phytochemical	0.22222222	1.0555556	0.055555556
14	C18 H19 O4 N1	314.13867	314.13913	0.117953576	314.13873	41501	51315	35927	41268	25189	17663	18195	27850	20254	94195	73234	16440	16466	17072	13943	29559	28570	24277	24958	111724	120564	59567	18034	30635	18508	192001	19702	76767	22337	18668	20454	22974	27370	16930	102702	18832	30760	15437	36618	93288	128957	21454	0	0	0	45584	45744	760	22806	18987	41117	37886	23635	253	22854	11583	15099	29199	7773	25863	29250	52834	21837	18863	11936	22547	20900	33388	149691	202807	260435	17505	22728	13649	19259	22761	387	13522	28028	42691	20960	27065	18124	63430	22518	13217	32104	26628	19758	59005	40682	35362	41426	41682	75575	529	36454	37468	15286	12459	12807	28237	13591	27886	17601	26588	16341	356	22984	21000	Phytochemical	0.22222222	1.0555556	0.055555556
22	C18 H19 O4 N1	314.13867	314.13913	0.22455731	314.13876	16507	14296	13319	13561	7693	7478	5685	6508	3932	32575	41920	7057	5334	6376	5523	10890	8249	7982	7871	29472	34780	19619	6083	15287	6727	54988	3376	35778	11693	7142	6951	7371	11221	7456	20396	8827	8718	4343	7652	30300	51226	9085	0	0	634	14846	23809	0	7473	8334	14179	13541	5637	771	4667	5016	7356	13698	5562	12327	12172	23080	4920	5788	6202	6787	7248	12034	50988	40332	76802	5984	5980	6124	5798	8741	332	4308	8359	25736	5206	10305	5871	25734	6325	7494	9233	8440	8659	18944	11834	16226	18206	26573	25884	0	16397	13532	5261	8035	7391	10526	6805	11026	8737	9841	6146	0	6866	7599	Phytochemical	0.22222222	1.0555556	0.055555556
10	C18 H19 O4 N1	314.13867	314.13916	0.07884935	314.1387	38773	37851	32896	35424	20273	14325	14965	22639	17868	135994	93274	16137	18197	14068	11915	30694	21582	20824	31060	153344	159876	47398	15354	29007	15503	199692	16421	86722	19244	17474	14365	17687	27849	21712	140754	18888	27312	14368	24806	89920	92805	13589	585	0	535	53025	57527	0	23722	17827	32939	43174	17844	0	15013	9974	11332	28167	3166	18179	30686	38515	14607	15520	10293	21484	22784	27434	149940	232083	267181	21262	16410	12853	19578	18012	0	12103	21240	44066	18529	14442	9281	57512	15266	10585	22127	20120	15927	47136	30675	17413	43434	47038	93195	538	38299	36861	14066	11096	11697	26406	14823	24558	19472	22142	12279	0	19672	18853	Phytochemical	0.22222222	1.0555556	0.055555556
6	C18 H19 O4 N1	314.13867	314.13922	0.06339874	314.1387	23189	24656	20324	20483	13346	9651	11375	16594	11758	68160	45089	8751	9308	11197	11273	22063	16405	13180	17566	60757	81705	24117	10590	20643	12761	99918	12286	40834	19037	13743	13900	16477	18619	15230	71119	14868	18198	9276	18695	31890	37320	14890	0	0	0	29678	43483	386	28174	15754	21474	20156	10545	245	12291	6998	5075	19327	1145	6331	20607	21922	11901	6939	5058	13247	12405	23759	77382	123151	144485	12914	12307	10776	12846	11069	269	8629	13651	22411	10666	9972	4478	28056	9887	8327	15488	12569	13143	27404	20877	12607	25196	27867	55301	0	20853	19432	8443	7979	7363	18552	6958	17898	11970	16221	8242	0	10744	12908	Phytochemical	0.22222222	1.0555556	0.055555556
12	C18 H19 O4 N1	314.13867	314.13916	0.08196236	314.1387	30924	33400	35222	37046	20428	17254	16640	23240	17717	88807	67478	11684	14772	15576	16173	30185	23540	19794	31340	125220	133652	41164	17210	28449	18275	170687	20927	63433	20252	18222	20016	18945	31637	20263	108024	17216	25573	13674	30122	84399	111124	16404	659	391	311	45412	51099	443	28716	25521	34280	28573	18373	295	16029	7985	10493	23955	5628	21657	19938	42172	17952	15482	9219	19473	21483	37854	118110	198045	267301	15566	19825	15394	21571	17232	357	15716	24800	34271	18143	18336	12073	56762	15198	13179	24922	17161	16668	46057	34965	24666	40104	47040	55469	0	33180	39344	15274	9616	8720	27411	11752	24085	0	24544	11876	473	19286	19108	Phytochemical	0.22222222	1.0555556	0.055555556
16	C18 H19 O4 N1	314.13867	314.13913	0.18469357	314.13873	45312	49256	54008	50601	33327	20369	23059	25908	20752	127869	117878	18290	17394	21058	17753	41595	37307	20319	39736	133599	141010	64879	20225	39346	24439	219745	22308	110950	24039	21767	19517	26870	49474	25101	134429	19641	45641	13395	41426	109976	157490	24881	1180	489	496	43054	62064	628	29448	28152	46213	46889	30724	959	19277	15582	15023	34565	15836	40641	40479	62834	25449	13781	17145	28240	28291	42539	199189	229854	320782	24490	17800	15021	25385	24750	289	14811	33043	64956	21703	33793	23864	81254	22069	20178	33863	32381	27780	63971	48724	46568	47716	65446	94997	761	49371	45092	22113	16615	14707	43834	15770	32558	21876	29332	14771	527	29879	22913	Phytochemical	0.22222222	1.0555556	0.055555556
4	C18 H19 O4 N1	314.13867	314.13928	0.15324911	314.13873	9192	11345	7834	8762	4712	5664	4391	11180	5546	17487	13844	4728	5629	6321	6321	8419	9737	8016	8422	18673	25906	11357	7685	7962	5397	48884	5482	9639	7451	6916	6661	5602	9393	6321	23689	6400	10532	5928	11647	12659	18261	5813	0	260	372	12239	18997	376	8818	8519	9199	8480	5095	218	7431	2969	3467	8254	1034	4607	10339	9165	4189	4450	3095	5114	6553	8889	34037	37858	52628	6702	5687	6549	8430	6302	0	6008	7543	10424	7435	5147	3397	11722	3824	3483	6851	6023	6101	10828	9618	5506	11683	10825	19257	509	8512	10232	5979	4094	3832	8408	5265	9436	7027	6734	4526	0	6074	5360	Phytochemical	0.22222222	1.0555556	0.055555556
8	C18 H19 O4 N1	314.13867	314.1392	0.0974117	314.1387	36103	32206	30055	32529	19129	16670	12070	22962	16916	120429	84785	12098	17216	15102	12540	26253	21177	16834	27061	136633	134483	41203	14542	24104	14542	178553	13190	78789	20493	12470	15902	19387	24031	15727	126418	16269	23827	12779	22244	73323	67681	16726	783	0	294	48957	55637	0	26226	18034	30451	29476	17079	0	15959	9754	9692	20447	2143	12710	22964	40435	16846	13462	8206	19979	19336	28427	126489	209629	234353	16591	14910	11082	17365	17230	285	11489	21353	40958	15220	14300	7375	61391	11515	10123	18148	15026	13466	36787	41962	18154	36622	53896	85975	0	31230	33365	13560	12804	11943	23746	10942	22807	18320	17880	10427	0	14238	17365	Phytochemical	0.22222222	1.0555556	0.055555556
10	C17 H19 O3 N3	314.14993	314.15045	0.32097822	314.15002	15880	20562	12119	13794	3458	6860	8278	14016	0	18615	21954	9220	0	4578	9800	12884	23184	6348	6400	23710	23602	17142	11946	25609	14860	21900	10920	20008	0	12942	12458	10174	14234	9976	17854	14772	13278	10036	22942	22169	24346	6900	0	0	0	15254	22114	0	25512	13856	13388	14846	8348	0	4162	1566	7118	20384	0	13284	26866	11396	2218	5628	5884	2340	9180	22926	0	25088	22554	16028	10538	10936	16002	15990	0	9218	18918	26432	12934	7992	6274	13806	2198	3444	12384	10404	5786	32568	71405	11066	38071	13270	24865	0	17678	14238	0	1706	2230	14052	9156	8462	0	18602	2136	0	19612	2682	Peptide	0.1764706	1.117647	0.1764706
6	C17 H19 O3 N3	314.14993	314.15048	0.172506	314.14996	9037	11262	9175	10580	3635	5041	6315	18345	2197	16848	9734	6593	3005	5004	8121	18166	10220	3778	6096	13554	12240	16199	7649	20825	17493	10436	7101	9839	10529	9773	10088	12559	16768	11982	13322	11482	17399	7510	13305	11120	11277	4883	0	0	0	11095	12236	0	16329	11888	10985	12046	5225	0	2198	1068	2097	21166	0	4808	18779	7800	2291	3413	3314	5179	5048	14459	9866	14696	17440	13339	7555	8496	7234	8276	0	7889	7825	9087	8172	3832	2393	10059	1564	2861	10342	6726	6616	22249	14448	7077	35828	7980	14666	0	9966	8483	1052	1165	1833	13488	6053	7807	0	17578	1659	0	9071	5291	Peptide	0.1764706	1.117647	0.1764706
12	C17 H19 O3 N3	314.14993	314.15042	0.33268782	314.15002	0	11286	12390	9828	10112	0	17698	13486	4596	16990	13168	9892	4044	3590	11752	16704	24952	5385	7180	14814	17388	15690	10262	16390	12148	10234	0	0	10722	9082	13786	12030	9900	12538	11874	11420	14454	8458	23864	17772	15386	6178	0	0	0	12838	11172	0	18282	11606	9184	6316	4880	0	4230	2832	4420	14534	0	18510	0	5552	3096	2716	5912	5176	4432	22984	0	18408	15458	7710	7240	10156	12032	8912	0	9384	15890	0	14092	6316	10160	12432	3556	4140	14826	8550	9616	45260	23580	7024	32980	12216	8598	0	8546	7930	7330	0	2266	10394	8494	9004	0	12580	0	0	15308	3418	Peptide	0.1764706	1.117647	0.1764706
8	C17 H19 O3 N3	314.14993	314.15045	0.21950795	314.15	9549	9032	7631	8873	1383	3817	5959	12163	1959	11321	10386	7102	2385	1448	6400	12566	10272	2350	4717	12413	11023	11568	7855	17399	10987	10652	6340	10037	10036	7654	8970	7252	10401	9348	10512	7314	10837	7451	12758	10867	16105	6449	0	0	0	10387	12964	0	9415	9953	8274	7277	4916	0	1728	638	3134	12016	1826	6712	9241	6722	1142	1587	2414	2835	4418	13059	8365	9177	15317	11072	7365	6990	6978	7448	0	6247	8500	13404	8848	4794	4708	9874	1051	0	8482	7085	5343	25764	22857	0	23256	10419	13134	0	7612	10364	1591	954	0	9315	5201	9507	0	12320	0	0	8784	1603	Peptide	0.1764706	1.117647	0.1764706
22	C15 H23 O6 N1	314.15982	314.16022	0.25446534	314.15988	10798	14180	14086	16854	20241	16359	9017	15072	16757	3420	3625	17148	20684	12874	14352	22963	28623	27985	21872	11663	7955	5910	22360	16395	11596	12423	9497	4392	19012	15872	11612	15275	19715	18150	2506	22320	14957	15786	16685	8431	16595	22158	5268	4587	5713	9478	17203	5193	14899	16715	17398	14893	17708	5397	26535	24127	15926	17107	5237	11673	19857	7958	19107	21925	11630	20649	16935	18302	10814	5436	10415	15964	12717	14741	15349	14105	4949	13476	21218	5293	20360	6845	10481	6454	30774	19809	25257	16042	15324	19720	12363	14360	18925	7467	8068	3917	13358	15111	17416	22919	31805	23631	15188	12194	7415	13429	21743	5786	17625	27422	Lipid	0.4	1.5333333	0.06666667
6	C15 H23 O6 N1	314.15982	314.1604	0.08477402	314.15985	149288	294534	275662	266844	79005	69924	146084	340164	199578	220619	76922	144482	155534	38984	187144	521000	258404	288498	306120	211902	467876	448192	185388	401094	128062	68685	66100	63482	398364	253540	129533	335218	342928	294006	593794	321404	333868	78879	316430	151144	152529	75543	2042	838	1353	157037	142417	698	209399	238850	153530	300578	80252	1940	306844	84401	46509	461760	112927	137793	444848	94508	138648	103248	39554	114156	91289	151959	92219	143549	139560	235806	247652	232588	92118	235752	1058	143118	158262	49623	68841	82033	199980	68546	79546	60901	85466	67767	96259	251270	124923	200868	338252	192270	161673	1753	259744	287232	50171	87432	101554	362580	75156	210123	64106	637556	145548	994	69682	371962	Lipid	0.4	1.5333333	0.06666667
20	C15 H23 O6 N1	314.15982	314.16022	0.18938628	314.15988	64486	68506	70781	51273	102502	74170	51700	61725	81730	46446	42735	48820	154112	58731	59569	70496	68989	119565	130572	68773	71433	38543	57229	69310	40950	60844	42598	42080	80040	71311	46429	59583	77829	69410	33460	64351	81672	46902	66011	49008	67966	71688	7292	4553	4856	44002	59687	5600	68740	50032	65505	64739	80378	4418	129696	117532	68651	69528	40978	44537	77228	36715	82211	104313	47356	102033	71553	66819	62318	45159	69860	53618	61893	61125	76302	60208	3704	41762	72234	45560	53125	29715	41188	38757	127686	63739	78525	69163	58393	55302	67326	57369	73690	38205	55969	4809	64228	81004	67986	123073	152372	98718	43614	76442	32052	53357	87492	5056	40376	107315	Lipid	0.4	1.5333333	0.06666667
18	C15 H23 O6 N1	314.15982	314.16025	0.19836527	314.15988	193590	165402	180990	173770	244096	181329	129930	185415	167882	157678	126400	130225	357249	127423	153816	231962	220603	324925	361966	260142	225097	145122	169806	189697	115547	176218	117915	98056	216278	190052	139183	174961	229000	204821	115852	219801	245192	121631	187454	173308	189712	212259	11134	4866	6203	129867	144739	5286	199650	168668	180297	173404	200592	5403	301053	274227	141802	199770	120474	155169	209763	131629	211678	224939	161758	250775	179011	182420	171095	147166	168485	159885	167916	182486	207635	165773	4447	111948	153803	135499	117654	94601	126194	115199	256056	157617	158671	180140	172285	159634	180855	221693	211633	101505	193941	5754	162387	213865	165985	213221	301146	286112	112320	234755	77023	137245	221419	5056	114648	228062	Lipid	0.4	1.5333333	0.06666667
16	C15 H23 O6 N1	314.15982	314.16025	0.16666286	314.15985	331334	349691	365739	355503	446125	339337	296615	384069	364246	323329	252326	282688	622030	259359	322563	493177	473632	732846	721591	611730	589187	306278	360513	383243	264866	455660	255774	230261	475185	424151	340878	381915	521879	401844	350453	505672	463940	234252	396507	368379	383188	420677	19794	7594	8075	318859	330151	6919	445385	391372	376092	349764	448897	8647	569396	495217	279943	422342	274551	333038	438817	243140	399731	414294	198096	489056	373457	358872	396093	411361	396515	356942	390964	408650	450955	381541	6831	232774	345605	263314	227933	195884	306345	289077	519340	290035	336791	391523	386997	376697	343503	416682	452752	228533	409939	9162	364364	477860	302937	434146	615860	611702	226113	450390	163114	366397	487219	7174	248049	462869	Lipid	0.4	1.5333333	0.06666667
4	C15 H23 O6 N1	314.15982	314.1604	0.098072045	314.15985	142916	78106	146208	69514	53462	94504	63376	141428	128138	131806	43610	78038	209072	28665	46389	69133	122936	90165	179548	139961	276392	306078	100072	147280	69416	35805	32261	26839	65720	111776	129020	59498	179474	54676	366882	132134	171284	78450	167102	117693	161678	45219	1972	758	1430	96234	85945	1136	77097	113428	153450	126106	51655	929	90502	98600	51054	150492	154922	134484	144476	55496	206422	154492	22417	138712	85822	63915	48928	71683	64983	112822	105478	131766	31987	117942	1061	82484	84568	35099	35785	80344	97400	33166	99330	69160	93056	40940	104910	126966	255240	300214	196648	59328	103208	2386	132292	156118	40609	104860	49273	162358	75780	142497	52630	57488	82618	1000	57392	128323	Lipid	0.4	1.5333333	0.06666667
14	C15 H23 O6 N1	314.15982	314.16028	0.11070172	314.15985	407566	419483	379791	401547	429422	377745	354275	539696	421950	395068	227574	256749	700751	274126	412719	564053	589163	821976	732629	705746	809800	453950	454120	500172	378920	749200	301316	292712	622410	525973	355270	472517	631175	431450	499108	554371	524357	307927	500168	454447	391584	473516	19301	4381	4346	433244	417218	4694	443669	414795	383534	355130	417518	6627	730183	553625	234010	526991	381935	330046	495160	299646	472997	496799	238659	528603	416057	436161	523976	661359	524708	356263	394379	484646	501751	430141	3748	312499	393171	296644	315201	291118	380001	300271	559733	354783	466684	349742	400656	491948	431846	529781	610441	257724	478043	8810	382366	560690	328929	501775	674034	634086	283411	594014	234766	385682	500934	4711	287712	477100	Lipid	0.4	1.5333333	0.06666667
12	C15 H23 O6 N1	314.15982	314.16028	0.06210761	314.15982	316238	334539	369708	306932	433246	309918	365473	562249	362367	358305	211828	275406	521923	245056	392680	422890	567907	737196	748082	657406	742729	410191	454115	375483	354532	623783	197667	220416	750910	368957	424699	390439	590685	433961	540207	469906	465499	325498	494952	405796	371290	408102	16703	2515	3141	422303	350818	3106	496488	341863	334050	311672	416326	5135	673596	439514	238660	490502	376026	402672	365812	292406	503972	436991	196182	486336	371717	465541	555899	651428	547099	344794	410323	499336	315360	385118	2438	329351	408160	234087	326580	303348	476198	326852	481390	332177	423754	277445	377555	473225	380200	530760	595593	268668	309352	7903	357752	452978	331398	391740	500774	484291	297449	367247	231466	411971	479065	3040	303405	524210	Lipid	0.4	1.5333333	0.06666667
6	C12 H27 O6 N1 S1	314.16318	314.16357	-0.19645515	314.16312	5234	4562	2516	4266	131698	15324	549	0	72663	0	0	0	4443	57946	2160	1082	852	8317	4038	0	0	0	0	0	1367	0	0	3140	0	0	0	0	1175	0	0	0	1221	1474	0	0	0	10109	0	0	0	0	0	0	2386	0	2944	4532	63463	0	2280	1185	7207	1754	0	813	0	0	11288	2763	25557	3994	16551	1296	0	0	0	0	0	0	0	0	0	0	0	3083	0	0	661	0	0	5204	0	4107	3433	0	12873	0	0	0	0	0	3387	4386	11916	803	1546	0	0	2765	0	0	75268	0	0	21854	Organosulfur	0.5	2.25	0.083333336
6	C14 H23 O5 N3	314.17105	314.1716	0.092727564	314.17108	45377	44097	40108	43083	21296	20680	27360	44730	28093	27445	17071	23800	23191	11985	41686	46200	36541	36358	36136	31833	25384	56460	37034	52871	38110	4485	24444	39257	42669	38064	35258	45745	54566	37233	38721	40347	50698	34124	44287	20553	15999	19694	0	0	0	30152	18877	0	46311	35419	44938	43155	22843	0	36746	11320	13263	57723	22788	16400	49103	11122	28125	20832	9693	25644	23623	42691	5627	16158	10695	30978	32351	37369	26093	30802	0	28009	25742	49719	24242	15223	21177	8168	14074	16332	43296	22281	24263	59183	391042	216256	94323	26177	25469	0	43494	37559	12303	8690	9651	53356	28160	36897	9811	48653	21536	0	30653	35122	Peptide	0.35714287	1.6428572	0.21428572
8	C14 H23 O5 N3	314.17105	314.17157	0.15210025	314.17108	28601	25676	26442	23789	13844	14613	18062	28077	13029	12920	7206	16198	15950	6990	27272	42149	18018	34742	19422	14835	9702	29485	23298	36910	28609	2363	20647	21670	25138	20706	20051	28832	33466	28702	18416	23842	33594	20566	21846	12341	8900	13257	0	0	0	20823	9528	0	28756	22039	23110	24046	13372	0	19653	7464	9319	31778	12381	8483	31327	8096	16130	13748	10141	17314	13881	22985	0	10364	4132	24039	22556	19595	14421	23030	0	18067	23375	62125	17282	8812	12514	6870	10249	8802	29785	13554	15212	48848	137832	88374	67887	16654	19045	0	26929	26049	7603	9489	8073	27274	14980	19970	0	29167	10120	0	22933	24386	Peptide	0.35714287	1.6428572	0.21428572
14	C14 H23 O5 N3	314.17105	314.17142	0.047208328	314.17105	4906	2014	1942	4139	1548	1709	4236	4447	1734	0	0	13731	1612	0	4664	3908	6215	2303	2107	0	0	0	3126	3123	3135	0	5585	0	2710	2234	3684	7581	4597	6751	0	4180	3442	4392	9458	0	0	3386	0	0	0	0	0	0	4992	2886	2316	2611	1998	281	0	0	3668	4776	0	0	0	0	1622	0	4228	0	1976	6617	0	0	0	3346	4029	2835	3668	3855	0	9672	1949	0	1313	0	1316	0	1137	0	3393	0	2498	13469	34021	9184	3762	0	0	0	4626	3331	0	0	0	5420	6350	0	0	2620	0	0	3371	0	Peptide	0.35714287	1.6428572	0.21428572
4	C14 H23 O5 N3	314.17105	314.17163	0.10357763	314.17108	41953	40388	38288	35436	23824	20843	26457	43418	41086	23412	12909	22166	34106	13429	43809	51423	42114	45136	45451	29354	28397	65518	38017	51575	41260	5581	24798	21604	43228	31123	41169	41030	49858	35145	39664	41517	50635	33095	49200	22798	17294	22592	0	0	0	31410	22824	0	47033	36027	38814	32833	26031	0	55598	15739	16760	52328	31819	16912	48283	15453	31326	34652	14320	32712	22140	40083	7098	13978	9983	30338	30502	36264	25858	29881	0	27989	31383	50998	25119	15220	23056	9823	30964	27474	38016	23103	24809	53836	177665	135876	110464	23059	23670	0	38499	38900	23064	20693	21904	46041	28783	46988	16361	48480	26970	0	28105	43613	Peptide	0.35714287	1.6428572	0.21428572
2	C14 H23 O5 N3	314.17105	314.17166	0.078414224	314.17108	55268	54128	50342	49210	37390	53087	33594	54046	44876	20330	20451	34879	59027	19249	45910	39105	49987	58731	66007	27991	27537	61648	43986	57569	35402	4526	16340	68132	58466	34835	53790	50774	75012	44678	35407	47617	62108	36429	58583	24842	20840	37371	0	0	0	24946	15998	0	56891	36280	50533	51907	37792	0	56862	18869	20633	73620	23924	18338	40754	9667	51182	41689	22370	56820	42813	74134	8353	15189	12503	41092	44469	40287	22558	37401	0	31691	41931	198618	30491	10806	19039	9394	34770	30953	48411	38137	42791	96699	231582	172725	135845	43374	16316	0	53805	57397	23877	22561	22370	55904	38234	46087	13628	69613	33777	0	37307	71581	Peptide	0.35714287	1.6428572	0.21428572
10	C14 H23 O5 N3	314.17105	314.1715	0.0751461	314.17108	12994	11170	13131	12559	6105	7682	13488	15522	4323	3756	4476	11170	7819	4591	12531	19801	14098	10697	13119	4475	4518	13848	15017	21988	16207	0	11698	18182	16136	13107	12583	19744	16148	13270	6121	12534	18925	11403	15422	3168	2802	12457	0	0	0	10515	4581	0	15481	12656	12982	16126	9145	0	6704	1806	4982	22757	6258	7157	18076	2096	5703	4658	5922	11450	10941	14337	0	3089	0	14366	10974	12185	10794	8901	0	9655	12125	53132	10005	5249	6423	2997	4152	5472	16385	11082	14082	25030	91150	44105	29414	7917	5453	0	14226	13659	3204	3888	4690	13375	7911	11902	0	14731	4031	0	16205	8073	Peptide	0.35714287	1.6428572	0.21428572
6	C19 H23 O3 N1	314.17508	314.1756	0.050210517	314.17508	21466	26281	22106	22095	6334	9244	16802	36818	3368	50706	27379	13859	2347	3921	22509	41869	23070	7356	11172	52027	60657	12438	16562	232514	25509	56050	23817	21296	25537	19989	20606	43406	41665	43986	47673	35015	39477	24694	20831	21997	7994	12887	0	0	0	20553	19234	0	77465	30064	25604	22636	6847	0	2414	1338	4356	41514	0	1362	39331	12835	2603	3796	3336	4097	16778	58340	35301	58366	68080	23866	17907	17788	134297	17393	0	15835	9626	15477	9715	1176	911	20748	1722	3042	13765	10163	12354	40449	21220	2865	39082	18543	37740	0	24737	25213	3048	686	1063	35267	14800	13348	7468	22818	1818	0	12708	2264	Phytochemical	0.15789473	1.2105263	0.05263158
12	C19 H23 O3 N1	314.17508	314.17554	0.04023358	314.17508	10104	10602	10959	13627	4030	4411	6711	4582	2886	34548	21946	7703	2469	4342	4000	11480	13546	2112	6224	40779	45256	6216	5241	9640	6099	61300	7361	17925	7690	8781	9930	8733	11143	10513	32004	8915	13844	5523	12411	19439	12515	4992	0	0	0	9828	12335	0	12632	6972	11102	11140	4090	0	2841	928	2471	8747	0	0	0	6534	1478	2575	1938	5240	6609	11658	32825	63649	74081	5523	7027	5365	13981	10005	0	5895	4379	0	7165	2288	2540	15232	1451	945	7679	6566	4284	18671	16571	3087	12595	8857	22634	0	11278	13550	0	993	1813	10893	5976	6153	0	10180	1215	0	4765	2025	Phytochemical	0.15789473	1.2105263	0.05263158
20	C19 H23 O3 N1	314.17508	314.17548	0.18022889	314.17514	13946	19359	14458	16556	6411	15058	6946	13029	6995	17842	36486	5768	3732	7787	10104	22124	16426	3626	5889	32601	32620	17851	7943	18247	7185	80344	11351	30050	7065	10286	8491	11519	12834	11738	20909	8524	12086	7140	15714	31429	60478	13512	1002	0	0	11894	29451	0	12965	8518	18365	14099	8573	0	4591	4422	4457	17111	6953	22342	15891	18747	5671	5612	4210	11257	10609	20145	63107	57604	102433	9055	9435	7724	18181	14085	0	8220	9008	26878	7123	14767	13940	26640	5430	7116	14746	10273	8545	34005	22958	14954	25956	25397	25869	0	18853	13423	5707	5213	4742	12876	7168	21318	10328	18424	6005	0	13425	3461	Phytochemical	0.15789473	1.2105263	0.05263158
24	C19 H23 O3 N1	314.17508	314.17545	0.21428616	314.17514	10138	10453	10284	7036	9194	5904	2406	6113	6039	14086	28571	4958	5775	6483	2874	9847	7571	3038	7222	15882	19919	8131	4559	10674	5249	31668	2005	28200	7795	8436	5035	14065	8919	9397	10524	8547	9224	3040	6824	17574	35046	7589	2272	0	0	11798	10943	0	9022	10587	6683	8878	8194	0	4243	5682	3171	7494	6347	10895	7213	19217	2330	2706	3002	6629	9633	7566	39245	20052	34413	8018	5992	5770	5578	6899	0	6328	6409	16186	4396	9132	9505	15430	4189	0	6767	5969	8055	7339	15228	16356	13777	11332	10327	2044	7183	9485	5572	3791	6100	8835	5416	12824	8386	7120	6371	0	6331	4328	Phytochemical	0.15789473	1.2105263	0.05263158
18	C19 H23 O3 N1	314.17508	314.17548	0.15824234	314.1751	15008	16202	12981	19515	5789	5714	8369	11354	4124	30544	34738	8499	2952	6465	9417	22476	20620	3640	7117	35243	32653	18073	7420	22813	8915	68240	12587	29568	9900	9719	7154	9864	10153	8531	24221	7425	15466	6709	23570	30727	51667	5608	302	0	0	13921	23255	0	10336	9448	13257	21115	5792	0	3427	2624	4488	15273	4264	22677	11785	19428	3861	3601	3857	6446	6800	21731	59122	55316	97079	9066	8713	8594	14893	11886	0	5849	11390	20729	8182	12049	7452	24458	3547	4836	11714	11017	6567	32767	13445	17838	23800	17406	22147	0	15992	18691	4336	3198	2666	11236	6801	11769	10509	11295	4593	0	14935	2225	Phytochemical	0.15789473	1.2105263	0.05263158
10	C19 H23 O3 N1	314.17508	314.17554	0.076930664	314.17508	15899	17793	14973	15245	4791	8324	11222	18061	4698	51613	34534	9290	3113	7237	7051	24110	16136	6958	10815	62791	66704	12073	11148	20945	10381	88251	9509	37239	15329	12413	9715	17190	27963	18348	50711	13090	24313	11602	16695	28059	22485	9113	630	0	0	15078	17877	0	17029	10817	16437	17761	7751	434	3567	679	3397	23316	0	3623	19474	10669	5543	4032	4331	5452	9434	20333	59533	87059	94483	15690	11492	9567	39023	13754	0	10136	11699	15122	9564	1612	766	24911	1219	3103	11587	10541	9443	27040	22661	2621	25144	18965	40703	0	21630	14325	2651	1589	2560	20911	9014	8392	0	17854	2219	0	9596	4448	Phytochemical	0.15789473	1.2105263	0.05263158
14	C19 H23 O3 N1	314.17508	314.1755	0.06457881	314.17508	8803	9276	9302	8582	3498	9908	3799	7132	1847	23623	20158	6193	1644	3049	4016	9039	11125	3415	2603	28760	30033	7457	7116	12536	5583	53119	5724	20591	3712	7666	3983	0	6511	7868	23271	6430	9214	3842	13283	15718	17055	6267	0	0	0	4892	14266	0	7319	7614	13404	9521	1566	0	1667	0	2688	8928	0	7889	0	6432	2834	2459	3471	3296	5208	9628	31696	44328	67902	7326	5318	5992	8130	5281	0	3457	5443	0	6912	3568	4847	17302	1921	2302	6742	5348	5843	21909	10442	6598	9782	9137	20655	0	9942	9445	2442	0	1066	4763	5176	6564	0	9400	1578	0	7273	4451	Phytochemical	0.15789473	1.2105263	0.05263158
16	C19 H23 O3 N1	314.17508	314.17548	0.12512442	314.1751	14373	8079	12644	8195	3889	5910	5256	9402	2867	26828	24641	5289	3336	5379	5872	9516	13121	3384	5539	30523	34458	11016	2805	11678	6079	52847	5630	22694	6675	8540	8829	7322	10793	10133	19493	6223	9422	4939	17126	22885	36093	4349	0	0	0	9195	17804	0	10371	6664	10264	10750	3996	0	0	0	4494	12014	3255	10713	12187	10940	3205	3127	2835	2994	6446	13919	48374	57338	76711	9072	8751	6146	11123	8971	0	4586	7798	12618	5746	6447	4413	19466	3392	1794	9806	4684	5795	27508	10427	11714	0	14050	18528	0	15669	10890	2915	2076	2753	7523	5890	6546	4013	0	2190	0	7881	4539	Phytochemical	0.15789473	1.2105263	0.05263158
22	C19 H23 O3 N1	314.17508	314.17548	0.20721531	314.17514	16159	16323	15929	11153	11788	8856	6212	12825	4932	28117	46153	7262	3172	7395	5301	15075	15637	8801	8211	27018	38041	22220	8402	15768	10274	71825	7308	38002	11540	13782	10096	14374	12096	15335	25601	13450	9099	4190	14620	32002	52261	11408	0	0	0	16945	29218	0	11193	12793	15964	15902	8424	468	2975	3577	8009	14814	6515	18879	15463	26426	2942	3367	2539	9354	10978	18585	59915	52279	74524	13049	8781	7889	10550	11608	0	5957	8091	29009	5470	14328	9735	35454	4181	2275	10771	10159	8807	25615	18845	23284	20798	22044	22273	0	11518	15148	4835	3610	7423	15960	9424	20461	14579	16243	6167	0	12611	7746	Phytochemical	0.15789473	1.2105263	0.05263158
8	C19 H23 O3 N1	314.17508	314.17557	0.112242915	314.1751	27051	30647	21542	22935	8491	13645	9732	22535	4402	67734	41945	16265	3511	7331	9210	28300	28608	6924	13238	76239	78349	12616	10799	55681	14862	93817	14457	36824	25271	19551	19991	41300	47718	39183	73404	27223	45346	10482	30336	32524	21411	15635	0	0	0	14824	17287	0	46162	19470	22896	24333	7896	0	6075	2340	6024	30859	0	4389	20996	10496	3422	5332	3759	9489	21461	69324	56342	80098	104087	21507	17008	15588	115195	19243	0	14652	8055	17356	9629	1959	637	30304	2367	0	8606	9134	10753	36447	23541	0	32780	20678	45945	0	18907	22430	4532	2643	2309	36960	13881	8652	0	24173	3181	0	11485	5241	Phytochemical	0.15789473	1.2105263	0.05263158
4	C19 H23 O3 N1	314.17508	314.17563	0.026537446	314.17508	11665	13077	11323	11730	4428	13190	7286	22833	1198	22532	11778	10624	861	3858	11181	18924	14763	4325	5639	26474	33931	9512	8101	72809	12466	24566	7732	13486	15788	12544	15425	15770	14761	13179	24140	17479	14078	8988	15112	14307	6952	7053	0	0	0	12578	10940	0	19141	17766	12768	12022	5973	0	1845	1032	2799	17261	0	0	18335	7858	717	1777	2283	2649	6487	21008	16050	22396	27780	16096	14829	16117	20582	12765	0	9950	11348	14425	8657	1479	1798	12951	1000	2222	10621	5517	6855	21914	20245	2887	24845	11012	23505	0	15052	14997	2844	481	639	14983	9833	11455	3756	15953	2495	0	10248	1277	Phytochemical	0.15789473	1.2105263	0.05263158
20	C16 H27 O3 N1 S1	314.17844	314.17886	0.09876369	314.17847	2384	0	0	0	0	0	0	0	0	0	0	1050	0	0	0	3073	0	0	0	0	0	5266	0	5578	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2801	0	0	2741	0	0	0	0	0	0	0	0	0	0	0	0	3022	0	0	0	0	0	1624	2890	0	0	0	0	0	0	0	0	38182	0	0	12356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2376	0	Organosulfur	0.1875	1.6875	0.0625
8	C12 H27 O8 N1	314.18094	314.18143	0.058706995	314.18097	447232	464253	486290	430212	143807	88971	104294	102619	63600	453022	1065797	51984	183985	151674	60070	139989	78456	135718	65533	322688	212170	355425	64641	256904	80059	102154	299687	1993123	109543	141529	63985	87330	68010	61534	130877	104142	57545	44880	62707	568022	530859	153470	360340	53534	94682	1071087	1165743	86221	89923	112223	495712	451281	76587	130009	73743	59581	97299	171980	1072718	267423	0	995348	280803	62662	114128	314329	249505	93645	728121	412355	675798	103743	70096	103490	42924	77386	108865	46599	56587	2678183	58760	152874	66837	68990	102109	96907	50986	177872	78660	94165	366082	327907	125366	609147	674025	71754	445631	584280	57749	60653	110375	110729	43015	545262	7905950	68254	92219	105988	47968	135161	A-Sugar	0.6666667	2.25	0.083333336
6	C12 H27 O8 N1	314.18094	314.1815	0.055374954	314.18097	0	4274	1241	2954	0	832	1613	0	1516	0	3635	0	2066	0	1582	0	0	1822	934	3762	1082	0	1816	0	1563	3795	6737	3680	1801	1214	0	0	745	0	1707	1096	0	1086	2108	0	11271	1868	1382	937	1884	2701	12564	1115	0	753	3613	3386	1054	2217	1707	2363	841	1650	1610	18376	2378	2178	2087	0	0	1507	0	4206	11752	1761	71747	0	768	1261	0	0	0	0	1416	3432	0	1790	834	1738	1671	0	1360	1311	1057	3470	0	2032	0	3808	2571	1020	2089	2819	1531	872	3860	949	984	2376	0	0	2415	1070	1493	1138	A-Sugar	0.6666667	2.25	0.083333336
0	C13 H23 O4 N5	314.18228	314.18283	0.019981422	314.18228	2381	2575	2544	3123	4008	0	1605	3588	1554	0	0	2561	2770	0	2732	0	4987	1842	2053	1850	1232	2249	4432	4489	2506	0	0	4010	3132	0	4481	1940	5253	2354	2058	2526	3946	5394	8215	1538	0	3990	0	0	0	0	0	0	3451	1847	2420	2183	2027	0	1478	0	0	4318	936	1595	3824	1011	0	1428	1932	2586	2159	7072	0	0	0	4106	3483	0	0	2474	0	1951	2644	4235	2874	0	1859	0	0	1234	2577	2866	2218	7525	1653	2576	4802	1196	0	0	2885	3129	835	904	1231	3928	2101	2384	0	3517	2173	0	2321	21176	Peptide	0.30769232	1.7692307	0.3846154
18	C21 H24 N1 Na1	314.18793	314.18854	0.7561847	314.18817	0	0	1527	0	0	0	0	2168	0	0	0	0	0	0	0	6270	0	0	0	0	0	0	0	0	0	0	0	0	54570	31334	9995	23272	0	10077	0	37736	0	0	0	0	0	0	0	0	0	0	0	0	21249	2056	3279	0	0	0	0	0	0	15393	0	0	13277	0	0	0	0	0	0	0	0	0	0	4983	31925	23075	0	43342	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1610	1840	0	0	0	0	0	0	0	3348	0	0	0	0	Phytochemical	0.0	1.1428572	0.04761905
12	C16 H27 O5 N1	314.1962	314.1967	0.079864085	314.19623	15472	15481	23525	18203	19549	12759	27244	40616	13474	13021	7054	16965	21838	16612	25583	34207	55700	26915	28365	27454	32781	30307	25135	21062	26942	24410	12443	8478	47723	21486	29043	27015	41830	30495	24820	32419	29924	18631	45303	14758	12525	16936	951	0	297	21158	19268	0	28143	20326	20924	15913	18433	531	17819	17401	13360	32122	7984	13954	19957	8538	20523	17005	12226	26573	17656	46686	0	20852	22785	21569	30451	31904	32617	27950	284	25864	23678	15447	18120	13515	20433	13529	17973	16991	30635	14077	20064	51723	36653	30109	44365	15956	18544	0	20592	26186	14235	17250	27579	30860	19307	12923	0	27194	19717	0	21593	23917	Lipid	0.3125	1.6875	0.0625
16	C16 H27 O5 N1	314.1962	314.19662	0.11814666	314.19623	60533	72995	78300	69958	75137	56321	109847	87818	47890	49990	36391	59142	82519	74661	63245	118319	134641	118930	110253	81799	75418	56352	62666	84779	70888	91065	109124	37655	98938	96529	67296	83102	97754	83441	47213	111967	90778	45619	118962	41822	55460	71425	4959	748	604	48704	70020	1117	89189	89689	74881	64487	66620	1965	67368	59870	40653	106892	37403	60486	107072	25395	71986	47178	45021	84246	80376	107588	47071	50604	51503	70757	91008	92782	130766	93155	737	50205	70391	64428	35905	39380	157494	117900	70809	59037	71749	69042	70057	152745	107467	94897	108833	49401	85575	1080	76349	88684	39690	62221	95532	125023	42474	92860	35049	83720	68528	806	53229	63349	Lipid	0.3125	1.6875	0.0625
6	C16 H27 O5 N1	314.1962	314.19672	0.06765636	314.19623	108170	104978	104368	110180	46352	45020	67992	181008	40136	104712	41778	75924	81558	37694	100534	170134	89066	64394	78046	117542	114178	152632	82318	131364	95990	34380	78554	34220	130250	117586	131312	132240	171290	101638	154314	114654	156432	87216	137960	76968	56986	46410	1858	0	0	100344	96026	0	190932	134956	119350	113418	49518	574	57068	24870	27624	210268	27430	29536	178604	43058	54780	41282	26268	96534	57010	138698	33400	96512	60182	133482	101570	105408	76390	103306	0	90272	75606	42830	61246	39030	46162	37122	26508	26752	159760	41774	58772	162732	477944	327892	203704	57184	105856	0	108296	107772	21688	27386	24464	142818	86674	140520	42278	141750	30078	0	81836	70602	Lipid	0.3125	1.6875	0.0625
18	C16 H27 O5 N1	314.1962	314.1966	0.1359607	314.19623	105452	94133	102190	92215	107467	83935	140207	119969	72914	66338	63870	74502	147632	104323	91341	164396	183985	170629	176980	113168	113265	82130	92812	105914	81342	84214	139968	69441	182049	131314	95770	127619	134057	145305	59955	159000	151158	63191	157797	59403	67168	119587	13783	698	691	78862	74306	931	134287	110915	107370	97357	100573	1911	119422	88301	60497	142752	57520	81711	142801	40812	119731	87789	65544	128301	131761	162326	53601	57114	64571	93038	99962	135719	155077	131408	660	57610	83432	89888	59338	56320	117694	89974	95785	79232	100696	98450	103815	139257	146116	142118	148065	68909	102536	1571	99200	128931	65508	82806	99671	198174	54295	128276	50131	114157	96055	889	73441	88147	Lipid	0.3125	1.6875	0.0625
4	C16 H27 O5 N1	314.1962	314.19678	0.08298331	314.19623	43663	48656	47924	45231	16061	20507	28529	66638	15955	46186	14102	29889	26992	14868	37691	63768	33918	26343	31062	56729	43578	75543	31909	57610	59632	18175	31474	15704	59953	50195	61050	55043	74678	39856	69929	54566	67518	31334	44329	40201	21913	20036	0	0	0	41252	30947	0	71782	52715	47753	39999	20045	0	25862	11418	9676	76940	19884	11107	65110	18110	24635	18191	11928	27365	21747	36742	18592	41996	23396	49353	40752	60516	35839	49942	0	46295	29479	27415	19035	14429	18714	16818	12575	12735	132410	18210	23465	75282	310692	279762	83265	30866	58687	534	41686	50405	11322	11769	12576	56461	34623	71253	19233	45561	11474	0	46467	30528	Lipid	0.3125	1.6875	0.0625
2	C16 H27 O5 N1	314.1962	314.19678	0.049589504	314.19623	46738	47146	42147	42876	10535	15201	24777	70617	9889	34684	15649	27672	14786	7903	43241	56399	34810	17714	27604	43873	36490	61528	29523	41024	41148	12005	20178	11368	69987	57156	71720	68920	115445	49421	60293	68728	136121	23640	39324	27243	22291	18989	284	0	0	24509	21396	0	80114	48483	44101	43378	12854	0	14505	7027	7405	78739	14487	9737	54175	12084	11157	14518	5940	16815	25210	42569	15067	26502	21924	52934	70123	86644	26936	56315	0	44582	25476	23378	15899	11271	16366	12928	8660	9917	47148	12498	23188	90031	189454	210096	95840	24404	47007	0	46309	40496	6958	7624	8694	70774	32464	61318	13555	52570	7296	0	28915	15078	Lipid	0.3125	1.6875	0.0625
22	C16 H27 O5 N1	314.1962	314.19662	0.16268305	314.19626	36504	36601	35393	45742	81469	47657	45234	41109	47856	36135	19221	25837	75611	43280	35902	46571	66679	82840	71196	40919	45949	30434	34256	36531	36034	18117	35734	26571	54697	35488	31991	43113	55279	38305	25646	46949	70040	27067	56644	17309	23199	42068	6288	0	2047	23892	38662	0	40634	27310	43958	47592	62613	2664	77132	57873	35361	46553	25460	24210	42128	17801	55984	58783	27076	69261	53808	55055	11552	16012	20578	24535	31914	36604	40627	35223	1950	26231	33027	30714	24654	18616	28145	21896	62356	41708	55405	41694	44482	47276	79432	79215	48755	25716	43556	0	40297	43734	38837	51093	56832	70523	24448	44375	29660	43602	55372	0	32298	70823	Lipid	0.3125	1.6875	0.0625
20	C16 H27 O5 N1	314.1962	314.1966	0.14649205	314.19626	89227	86077	93056	86460	122577	93768	109590	95255	83839	77597	63056	58224	159761	111076	82133	124394	105659	164245	163571	142900	119672	65543	80041	91437	81645	51012	91110	66333	125674	87071	72272	100165	130748	98175	64409	108939	129767	65584	97903	52340	52263	100237	9571	781	845	68077	73143	863	107272	73048	89818	85856	107294	2256	125822	107389	67855	118889	67651	56527	113291	42394	111401	99923	50261	145785	104993	98525	35251	42971	42906	70785	89864	87663	106733	83098	1080	62065	71158	97834	46665	41340	84934	49410	96429	77607	102129	91424	90502	102927	144267	146204	128483	55522	87113	2237	97674	113386	80448	77839	118818	161503	56392	117389	63257	86909	101361	941	66077	112748	Lipid	0.3125	1.6875	0.0625
10	C16 H27 O5 N1	314.1962	314.1967	0.10220017	314.19623	26800	27030	25269	25843	14905	12426	19917	41665	12592	23098	8566	21508	18437	19981	29130	38181	30216	18586	25097	30554	26560	37037	22780	34063	26155	15854	22159	9937	35888	39839	30110	35991	48622	30564	32757	32418	36210	25318	40476	20415	15100	18717	1153	0	315	23186	19754	0	39805	28851	29848	25561	14572	533	17857	10990	6852	48552	7022	11772	34981	8026	12980	12998	9945	17330	15482	37362	12371	23292	15401	27487	32548	39595	34701	33582	0	22534	22751	14847	14310	9894	11090	11833	14618	11457	32273	14587	16927	36017	73956	31807	46158	12606	24304	0	31477	30019	7617	12127	15018	37886	20820	33575	24053	28409	9740	0	23822	18841	Lipid	0.3125	1.6875	0.0625
14	C16 H27 O5 N1	314.1962	314.19666	0.12211885	314.19623	32544	35796	34542	38773	32491	28045	38837	60409	18781	13986	14229	27702	35043	29458	29547	66678	91665	45021	43958	38012	51936	36507	43485	59791	41234	51451	38604	19470	58397	60090	35943	39259	52713	43818	37235	57050	38730	23414	77237	21736	25801	37495	0	0	0	38391	38119	0	45493	43916	35904	34794	34682	1063	30512	32266	14081	61628	12990	28495	58094	11808	35217	25935	22478	35570	40356	69465	21218	33042	30852	34521	39025	52692	69255	42493	0	29512	38535	37141	30392	24045	52357	40041	39082	29082	50855	26697	34423	62935	49027	41598	67159	28199	43699	845	28951	50439	18600	31500	59157	55582	25388	49805	0	37503	32060	717	31746	25725	Lipid	0.3125	1.6875	0.0625
4	C15 H27 O4 N3	314.20743	314.208	0.14130804	314.2075	9842	10822	10822	9543	3350	8756	2831	5881	2935	2194	2292	2301	6011	1383	5149	9263	4405	6594	4660	1705	2058	6349	4806	7355	7021	746	2288	18603	6854	3354	4962	6233	7663	3412	3337	5359	6593	2639	4842	1106	993	3264	0	0	0	2971	1146	0	4429	3102	12016	10269	3943	0	2975	1228	1042	9268	450	471	7022	0	5336	2069	0	7366	2422	5275	0	1428	0	2577	2735	4602	4022	4489	0	2502	4892	102402	3193	693	933	1642	2115	2111	7140	4058	2353	9801	540397	334228	12122	22204	5121	0	9629	12064	2350	1619	1900	5946	2989	3457	0	6148	1345	0	4326	6642	Peptide	0.26666668	1.8	0.2
6	C15 H27 O4 N3	314.20743	314.20795	0.14518203	314.2075	15604	15214	14665	17075	2494	28740	3744	5407	2036	4365	6244	2280	3566	1979	4024	8411	4628	3794	4316	2592	2518	6876	3028	7115	4826	547	3533	42353	7879	3724	5508	8107	7868	4455	4302	6513	10128	3893	5901	2071	1775	3174	0	0	0	2387	0	0	7313	3742	17255	13522	3191	0	3085	569	1527	13043	0	0	6506	0	2710	1484	1275	4426	3531	8245	0	1545	0	3701	2986	3074	5740	4211	0	2898	2464	121199	1929	546	712	1029	1367	1487	3344	2727	3350	9962	925300	432424	9079	27130	8448	0	15983	12540	1368	1035	1758	10314	2175	2141	0	6675	1569	0	3923	6503	Peptide	0.26666668	1.8	0.2
12	C15 H27 O4 N3	314.20743	314.20782	0.11087681	314.20746	1484	0	1700	0	0	1132	2191	1918	0	0	0	0	0	0	0	2690	0	0	0	0	0	0	0	2396	1999	0	1665	0	2856	1696	2042	1885	2524	2528	0	2286	1980	1289	2133	0	0	947	0	0	0	0	0	0	1524	0	1814	0	0	0	0	0	0	3142	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2755	1531	0	2529	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26446	8851	8186	0	0	0	0	0	0	0	1037	1935	0	0	0	3171	0	0	0	0	Peptide	0.26666668	1.8	0.2
2	C15 H27 O4 N3	314.20743	314.208	0.051331688	314.20746	9061	8684	7293	8366	7059	0	4929	8346	5143	2601	3807	3400	6225	3486	6697	9014	5992	6930	6217	3491	3249	7104	5798	8885	7152	577	3297	48487	9460	5072	7014	6266	9405	4677	3850	7500	7862	4934	7171	2339	1300	0	0	0	0	7197	10348	0	7984	4860	9600	8369	5328	0	7322	1636	2377	9784	1085	951	8795	1343	3936	4572	3471	7816	5799	8941	0	1616	1293	4817	5798	6298	4442	6077	0	4643	5768	511572	4261	7002	2038	1489	3092	3711	10068	4683	4633	16034	149375	73318	18550	46705	4397	0	9114	10070	3552	2031	3090	7282	3685	4374	7091	10102	4296	0	5801	5664	Peptide	0.26666668	1.8	0.2
10	C15 H27 O4 N3	314.20743	314.20786	0.13956295	314.2075	3794	4477	2934	2857	0	2857	2777	3206	0	3596	0	1782	0	0	1595	5781	3019	1311	1310	1943	0	2176	1697	2813	3694	0	2391	4347	6102	4465	7140	8220	9854	4432	1572	7763	7846	2607	5561	3449	0	4469	0	0	0	0	0	0	4860	1596	4953	2906	2148	0	0	0	1405	6408	0	0	0	0	0	0	1720	1173	3572	4123	0	0	0	3114	3728	4367	3410	4451	0	2272	2704	39098	930	0	0	0	0	599	3031	3082	1967	5653	79686	26223	6767	3446	1405	0	3213	3544	0	0	0	7525	1931	0	25160	5741	2206	0	2655	2664	Peptide	0.26666668	1.8	0.2
8	C15 H27 O4 N3	314.20743	314.20795	0.09643807	314.20746	6953	5610	5859	9998	2302	3854	4168	4280	0	1573	2221	1752	2177	0	3418	5393	6036	2617	1843	2114	1125	3642	2409	5917	3879	0	2975	11948	6046	2310	3860	6363	5341	3690	0	5509	4915	1848	8023	0	692	1388	0	0	0	0	0	0	6847	1993	7479	6336	1338	0	1220	531	710	4760	0	0	4913	0	1350	859	0	1773	1845	6658	0	0	0	2010	3783	3838	6046	6423	0	2447	3185	78233	1345	0	0	0	1688	0	3892	1574	2665	6158	324364	130632	8689	8923	2328	0	5786	4835	1086	1242	0	5425	2371	1542	0	5153	0	0	4124	5860	Peptide	0.26666668	1.8	0.2
24	C20 H27 O2 N1	314.21146	314.2118	0.18731308	314.21152	5941	5682	4222	6226	1758	0	2570	11137	0	1781	4688	3652	0	2819	2279	17345	6591	0	0	4371	5056	10745	3692	9591	5621	24391	3384	5491	8250	10582	4491	7380	4578	4747	3132	6253	5759	2084	7808	6519	18883	1451	0	0	0	8725	14750	0	8772	12786	5911	5479	2736	0	0	0	977	11123	5523	12890	11166	3992	0	0	0	0	1215	5174	17006	7200	19181	6564	5809	8007	5316	6832	0	4193	5485	15599	5656	8756	7781	9283	0	0	8174	2692	1257	42293	11312	12989	18527	22811	16880	0	6271	6203	1726	0	0	6790	5238	15039	9437	9803	0	0	7086	0	Lipid	0.1	1.35	0.05
22	C20 H27 O2 N1	314.21146	314.21182	0.1418561	314.2115	2651	2682	2804	2613	0	0	1310	2172	0	0	2703	1917	0	0	1625	7358	4958	0	0	0	0	4725	2117	1429	3348	17252	1162	2712	1846	4396	1716	0	1867	1359	2519	2266	1701	1959	6133	4566	7487	0	0	0	0	2018	5820	0	1902	2890	0	2286	0	0	0	0	0	2516	1849	4468	3665	1482	0	0	0	0	0	4380	9343	3928	15696	1286	0	1698	4490	2794	0	0	2764	7503	1462	2017	3408	5220	0	0	5869	0	0	24708	6475	9550	8374	11880	7112	0	2387	1713	0	0	0	1494	1097	2183	3347	3858	0	0	4019	0	Lipid	0.1	1.35	0.05
10	C20 H27 O2 N1	314.21146	314.2119	0.11962636	314.2115	28688	25921	25703	24627	0	2419	22751	62182	0	10554	28238	438615	0	0	17747	163182	20047	0	2011	23827	17120	3157	12275	121429	32687	12993	33878	7472	29603	48074	64987	42196	30461	40219	8725	37467	36378	26862	12151	6127	0	7019	0	0	0	11223	6866	0	52037	45556	29552	30893	1652	0	0	0	4654	117729	0	0	165599	0	0	1155	13644	0	5633	41834	0	10836	8217	62174	36627	38810	32792	36903	0	339480	28861	7195	23882	0	0	6424	0	969	19907	11462	10468	286785	10269	0	361370	3673	13763	0	26470	34389	0	0	0	30065	283766	3303	0	127849	0	0	24361	0	Lipid	0.1	1.35	0.05
8	C20 H27 O2 N1	314.21146	314.21188	0.04119732	314.21146	8806	7123	4384	4858	0	0	4138	15602	0	6518	5543	9351	0	1347	8886	17557	10507	0	1961	11452	9612	1163	7721	15276	7943	3210	12360	7793	15950	11424	15173	16515	16364	13657	8559	19927	13065	6794	5758	5531	0	2641	0	0	0	0	2720	0	14201	16464	7115	6806	1395	0	0	0	1195	11531	0	0	14904	0	0	0	1844	0	3194	20815	0	3605	4718	11542	11107	14743	16821	13501	0	8655	3301	0	6087	0	0	3401	0	0	1875	3444	3022	14506	0	0	14086	2502	10805	0	6893	5830	0	0	0	15149	8148	0	0	11403	0	0	3334	0	Lipid	0.1	1.35	0.05
12	C20 H27 O2 N1	314.21146	314.2119	0.15181923	314.21152	4925	7113	1889	3665	0	1615	0	5489	0	5056	6191	4077	0	0	3168	10263	1997	0	0	11894	12472	0	3525	8800	4130	17136	3956	0	8049	8240	8225	9877	6193	10622	7026	9663	9130	4276	0	2369	0	0	0	0	0	3060	0	0	8379	7291	4425	4628	0	0	0	0	0	7287	0	0	0	0	0	0	783	0	1373	6258	0	12238	6944	9440	7752	7576	7549	8667	0	7612	0	0	1628	0	0	5138	0	0	1418	1254	3396	88907	8497	0	6860	0	9332	0	4037	1974	0	0	0	7327	5600	0	0	8750	0	0	1482	0	Lipid	0.1	1.35	0.05
14	C20 H27 O2 N1	314.21146	314.21188	0.25027564	314.21155	0	5203	3547	1999	0	0	2400	3003	0	7084	10142	2251	0	1325	1222	3378	2122	0	2013	17318	11811	0	0	5056	0	41163	3162	20053	3051	4609	3765	0	1918	5063	5302	4208	2665	0	1751	2804	0	0	0	0	0	2823	11115	0	2440	4052	4192	2793	0	0	0	0	833	3065	0	12622	37545	0	0	0	0	0	0	2216	71560	28647	24180	3445	3642	6720	3499	2927	0	2832	0	0	0	0	0	4686	0	0	0	0	1676	0	3764	0	2776	0	3542	0	2333	0	0	0	0	6154	2544	5493	0	2271	0	0	0	0	Lipid	0.1	1.35	0.05
10	C17 H31 O2 N1 S1	314.2148	314.2159	0.65480256	314.21503	2765	5539	0	0	0	0	0	0	0	33757	0	0	0	0	0	0	0	0	0	0	5483	0	0	0	0	163044	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26053	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2408	0	0	0	0	0	0	123985	0	0	0	0	0	Organosulfur	0.11764706	1.8235294	0.05882353
10	C17 H28 O1 N3 Na1	314.22028	314.2212	0.07098861	314.2203	0	0	0	0	0	0	0	0	0	29557	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14628	0	0	0	0	0	17185	6158	0	0	0	0	0	0	0	0	0	0	0	41997	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3945	0	0	0	0	0	0	0	0	0	0	148075	0	0	0	0	0	Unclassified	0.05882353	1.6470588	0.1764706
18	C17 H31 O4 N1	314.23257	314.23297	0.1423996	314.23264	3500	0	3393	4303	0	3146	6303	3245	4867	0	0	1021	0	1510	0	3967	2962	2203	0	0	0	3587	12383	21700	4142	2398	7116	1369	3884	8977	2134	4405	0	0	6135	2660	1800	0	2320	0	0	4312	1944	0	0	3639	2080	4023	2634	5846	3726	3244	1349	826	2499	0	1215	2982	2167	1646	2210	0	0	2938	0	0	6744	4811	0	0	0	8174	3834	7268	3457	4671	0	0	14944	4002	6894	2685	3181	3288	1592	3339	68523	2455	0	19519	37355	2141	31726	4669	1961	0	4481	4462	1627	0	2572	4464	1649	0	0	44175	4687	1078	1107	0	Lipid	0.23529412	1.8235294	0.05882353
10	C17 H31 O4 N1	314.23257	314.23294	-0.09232544	314.23254	0	11100	10490	8430	1910	3021	10873	35953	0	3467	3519	11709	0	0	12972	40861	14227	1786	2625	2670	2817	19240	17553	54283	20791	2630	9713	3213	16640	15290	20287	17617	18223	8505	4999	20445	16937	12634	18336	0	0	2783	0	0	0	6685	0	0	20656	24727	8984	9475	2447	0	0	855	1230	40770	3558	0	39223	0	0	0	2798	1128	3759	17720	0	2184	0	6991	10560	16118	14916	15815	0	11417	15772	7000	20852	1270	0	5250	0	1552	25019	3286	4153	72176	18088	0	61770	2316	1430	0	6898	6328	0	794	0	14632	10347	3467	0	28266	0	0	30201	0	Lipid	0.23529412	1.8235294	0.05882353
20	C17 H31 O4 N1	314.23257	314.23297	0.17649382	314.23264	4257	5315	4493	4347	0	4458	31058	4070	0	2224	0	1192	3072	13313	2942	8493	8446	3320	0	0	2225	0	3845	3853	3070	4849	34420	3961	0	5752	2123	6354	4298	5843	2360	4829	3096	1788	9077	0	3589	5265	6067	0	0	3472	1862	781	6247	6627	5088	3774	1748	1371	1834	1559	2717	5586	1355	7051	5709	0	5988	0	3169	5257	6194	6426	0	0	0	4663	3677	3608	10634	4904	0	1553	1835	10327	4990	1675	20420	24206	1698	1514	7371	4389	3390	15962	20163	4723	4687	1548	2544	0	4519	4268	0	0	1416	6208	1618	2176	2526	4464	0	0	3008	6637	Lipid	0.23529412	1.8235294	0.05882353
6	C17 H31 O4 N1	314.23257	314.2331	0.13394175	314.23264	4527	6342	5412	4462	1121	876	5254	9381	568	1923	1058	3126	631	1750	3205	7078	3831	0	2282	3524	2280	2595	2100	4824	6852	783	7865	0	6372	7305	8883	7286	6700	5821	3023	6265	7424	2987	5590	1135	0	1241	0	0	0	1907	0	0	11091	8863	4450	3632	1373	0	0	0	533	10688	0	0	8697	0	936	0	1071	1210	2641	5971	0	3365	0	10676	4746	6468	5380	4411	0	3201	2842	0	1164	307	0	4610	0	990	38900	1201	2024	16848	19633	4860	6733	1016	1716	0	4906	4759	0	0	757	6636	2464	2650	0	4205	426	0	5061	893	Lipid	0.23529412	1.8235294	0.05882353
4	C17 H31 O4 N1	314.23257	314.23315	0.15068787	314.23264	5851	4669	6705	5538	938	2846	4700	10712	625	2985	0	3818	607	0	3809	8807	3531	1616	3342	3735	2562	4363	3090	16244	7037	713	4707	0	10608	8219	8766	8911	10034	14521	2997	10056	8528	3458	3315	1232	1075	6333	0	0	0	2787	1178	0	17694	7924	6139	4417	4144	0	767	309	2751	9644	0	0	12330	0	2737	594	1842	2943	6693	4256	1586	2422	0	35541	17363	6994	8324	5900	0	4587	4305	0	1723	451	954	3858	323	1956	14329	3673	4136	11995	22920	6885	5224	3327	5595	0	6176	5104	553	313	705	8161	2781	4175	0	3883	0	0	4777	1400	Lipid	0.23529412	1.8235294	0.05882353
26	C17 H31 O4 N1	314.23257	314.23282	0.21947445	314.23267	3250	3375	3066	3311	5899	0	2615	0	4348	2338	7353	0	0	4270	0	0	0	0	7264	0	10627	3248	0	0	0	0	2296	11576	0	0	0	5422	4721	2242	2370	0	2131	0	4100	11343	8458	6172	0	0	0	0	0	0	2134	0	2821	2146	6545	0	0	0	8817	2105	8011	4368	0	5855	2658	2363	5234	12984	24870	2834	0	0	0	0	0	0	0	0	0	0	0	12176	0	4936	8892	12416	0	0	2999	3957	5832	1971	18129	14493	0	2873	0	0	2751	0	4991	0	0	0	0	9673	9229	2406	5007	0	2543	0	Lipid	0.23529412	1.8235294	0.05882353
8	C17 H31 O4 N1	314.23257	314.23303	0.04210299	314.2326	17101	19911	18316	18618	1349	1576	10468	45699	0	4752	4336	16551	0	1902	19064	51804	21668	3055	5696	7976	6180	30906	21545	67708	27219	1351	13847	4440	23497	31374	27122	29623	19484	16876	8993	28316	23422	18626	32090	1861	1150	5902	470	0	0	11260	4223	0	41025	38802	18617	17869	4346	0	0	0	2767	45213	0	1210	48187	1112	866	1896	3171	3146	4633	40492	0	3640	1994	25811	25876	29506	23158	27467	0	16925	25530	13371	21909	3764	1028	17343	0	0	57282	3642	7796	85276	31404	6731	78364	4327	3857	0	19746	19888	0	766	0	25504	14835	12606	0	40258	0	0	32082	0	Lipid	0.23529412	1.8235294	0.05882353
20	C18 H35 O3 N1	314.26898	314.26932	0.2552858	314.26904	2890	2620	2467	2391	0	12758	0	0	0	18471	0	0	0	2499	0	5999	0	2663	0	0	2358	1382	0	0	0	0	0	0	1564	6918	0	4893	10133	1602	3420	3625	1700	0	0	3028	2627	9991	528	0	0	8413	3917	0	25275	35109	0	1802	0	4475	0	0	0	2931	0	30904	2582	0	0	0	0	9829	0	3660	0	0	0	0	0	0	0	20410	0	0	0	0	0	0	0	0	0	0	0	9346	0	3065	13233	0	8968	0	27480	0	0	3459	0	0	0	0	0	0	0	0	0	0	0	32654	Lipid	0.16666667	1.9444444	0.055555556
22	C18 H35 O3 N1	314.26898	314.2694	0.1237379	314.269	11447	10462	13945	12077	10857	64039	0	3124	0	72424	0	0	23073	17312	0	30249	9443	11596	4821	6328	10133	3193	0	3896	0	0	0	0	2448	36849	8523	30438	53571	6444	9064	18957	8347	0	2435	11533	10700	39162	4508	0	321	28697	38899	0	116962	188948	11562	11249	0	21565	0	0	1802	5423	0	157957	13240	0	24959	0	0	41578	1768	31337	0	0	1955	6854	2109	5451	5387	81252	572	0	0	0	0	0	0	0	0	0	0	49912	2390	30836	38928	4199	57190	0	136450	0	9140	11805	0	0	0	2298	0	0	0	4372	0	0	0	122262	Lipid	0.16666667	1.9444444	0.055555556
16	C16 H10 O7	315.04993	315.05038	0.25086477	315.05002	19822	23349	20917	21364	40143	26386	13691	5213	44668	27357	21472	9556	64930	24673	18140	13093	11611	67533	66180	16325	19333	34055	23922	10176	8783	2166	10984	9328	5414	4995	8529	5840	18764	5688	39404	7105	14399	19689	14792	13425	15401	20216	1376	476	898	7836	11325	1567	8064	6252	23997	23905	35924	485	43616	31191	25263	24560	9208	10635	12915	11770	64490	42837	19200	60675	27829	8335	5473	5423	6932	8454	4464	1872	6913	6636	673	11208	32822	36948	22745	13857	6273	4160	47334	28120	29691	24086	31979	26646	11347	14432	0	36205	38193	946	22356	21738	27150	53990	42744	20454	10507	5729	6487	11190	33251	686	11540	62235	Phytochemical	0.4375	0.625	0.0
22	C16 H10 O7	315.04993	315.05038	0.22718936	315.05	3071	5837	5307	6007	18501	9358	4778	1223	10978	3651	1532	3647	14415	8671	3109	2682	3278	22853	11688	0	0	5716	3861	2370	5345	0	3394	1489	1811	0	1547	0	5525	0	5536	0	2120	4702	2397	2012	2625	2327	0	0	827	4367	3562	0	1740	0	3066	4482	12586	690	14359	8759	7168	3325	1142	0	3145	0	22129	12378	3395	21025	5039	1766	0	0	2807	0	0	0	1523	0	685	1269	11243	6745	7916	2337	1542	0	21423	10383	11886	6306	6317	2521	0	0	2407	5396	12009	0	6699	6588	8945	18171	17649	3701	3079	0	1185	2363	9446	0	5760	20980	Phytochemical	0.4375	0.625	0.0
18	C16 H10 O7	315.04993	315.05038	0.22927313	315.05	19924	20638	16277	16457	35191	24247	12519	4191	33740	12603	11008	9418	50804	24584	11600	12041	6605	60464	54536	7812	12045	22122	14616	15552	10869	3932	7043	7057	5408	3624	4383	3822	15468	4866	16784	2743	14105	9008	6294	12431	10314	15063	1512	616	897	9096	12012	1313	5936	3770	15059	19435	25651	597	28395	30534	19125	11407	6989	4456	9928	6039	57373	36025	16862	52774	22591	5751	3979	0	3145	3240	4451	0	6672	0	781	6988	31071	20895	19233	13505	3939	2876	46740	28102	29185	20693	21739	14513	10154	5772	9353	24284	28373	798	19480	12322	28102	40590	44248	11822	5779	5660	5359	10947	21969	799	12378	52474	Phytochemical	0.4375	0.625	0.0
14	C16 H10 O7	315.04993	315.0504	0.27128258	315.05002	20959	21178	19473	23354	41352	24535	9595	6619	45829	28530	25244	9935	60525	24763	10406	10276	9601	66773	49302	17489	23564	45539	20333	13043	6186	3346	7276	0	4182	5445	7383	7386	17839	5863	39875	3815	18212	12324	8761	12887	16972	21887	0	331	351	11997	13996	676	8076	3522	19646	20943	29713	404	41568	35030	21692	16140	6277	9323	0	9442	63956	42915	16854	54748	21843	9377	0	5609	10913	4751	4315	1306	5415	5530	396	7739	30480	45852	26359	11931	7015	7449	41362	25971	28511	25694	30272	20794	12078	13330	20849	41717	41518	555	22233	20061	30826	46960	42386	12899	10941	10796	0	13344	32134	440	7576	54768	Phytochemical	0.4375	0.625	0.0
20	C16 H10 O7	315.04993	315.05035	0.2536521	315.05002	6903	7050	10418	5941	22852	13055	4820	2828	20974	5696	4293	4783	30768	18096	5431	9237	3469	31530	23900	3384	6024	15253	9260	7848	6389	2783	7686	2911	1671	1667	3280	2486	5981	2518	8740	3496	5275	7049	3762	3865	5841	9481	1299	681	754	4572	6610	1624	4077	2116	7963	12396	17104	661	22370	20053	9888	5299	3242	2610	7741	1143	30480	24042	10048	25225	13478	3885	2987	2779	1654	2006	2317	0	3921	2770	941	4673	18170	9159	12041	5488	3257	0	30408	15766	14647	10807	9022	10407	4053	3598	10278	15548	9855	1151	7839	8253	11669	23725	29490	4876	3922	2883	2310	6738	15843	660	7396	36453	Phytochemical	0.4375	0.625	0.0
12	C16 H10 O7	315.04993	315.0504	0.23193711	315.05	12643	11992	14229	14617	24079	11975	5915	2907	25351	16712	12522	4545	30358	9546	6127	8967	5993	27875	35053	9573	11450	22255	10807	7688	1870	2200	2695	0	2996	2617	2808	2798	7576	3169	32904	3027	9411	7599	7846	5704	12039	10242	537	0	0	5932	5007	717	3529	1451	13546	11487	17608	0	26240	19509	15447	8648	0	0	0	5946	37466	28254	7828	30870	13925	5333	0	4055	9209	2699	2346	0	4767	3300	0	4092	15436	0	11103	7100	2680	2219	22280	12978	14302	14095	12453	20092	4642	5386	12314	28600	27132	0	13608	11657	20964	29958	26354	5827	4886	5493	0	8492	18725	0	4916	38150	Phytochemical	0.4375	0.625	0.0
10	C13 H14 O7 S1	315.0533	315.0538	0.15500586	315.05334	5448	5236	5916	3943	9120	4217	2802	1370	6045	16282	12978	0	12092	2709	0	0	2573	9804	7324	6470	8859	10065	0	0	1039	3374	0	11178	1095	0	0	2011	0	0	14966	1107	2288	695	1921	10236	16429	1667	0	0	0	0	5855	0	1738	0	3801	3393	7268	0	6574	6190	1608	1497	2343	4347	0	8714	6741	6760	1292	7625	1763	1297	7059	5409	10339	0	0	0	1258	0	0	728	1638	11265	1560	2610	1862	4716	5640	2927	1705	1400	4164	2905	6150	7039	1692	26967	21833	0	4269	4290	4452	6267	6253	1293	0	3314	0	1291	8351	0	0	9181	Organosulfur	0.53846157	1.0769231	0.0
16	C13 H14 O7 S1	315.0533	315.05377	0.20157604	315.05338	3241	3321	3389	4279	7134	8438	0	0	9148	8321	5832	0	20580	5417	1433	1751	0	15219	10260	5442	2336	10615	0	1676	1400	1508	0	2629	0	0	0	0	0	0	8583	0	0	0	2848	6246	5258	3306	252	0	0	1078	0	0	0	0	4872	3515	7947	0	6259	5816	3683	0	5386	1474	0	7081	6142	6756	2943	7252	4252	1266	3367	4261	1400	0	0	0	0	0	0	0	0	6006	1599	2073	2074	3017	7094	2329	1986	2765	4105	0	9456	14461	0	10469	10075	0	5259	7194	4325	3726	5127	2073	0	2414	0	0	6826	0	1735	18003	Organosulfur	0.53846157	1.0769231	0.0
14	C13 H14 O7 S1	315.0533	315.05377	0.18229099	315.05334	7905	6326	6350	5314	14602	12325	0	1368	15873	27238	21678	1231	30352	8369	2643	0	1725	21100	14531	10466	11847	23995	1882	0	2326	6442	1082	13913	1331	0	0	0	0	0	35399	0	2488	0	2306	17861	16627	3056	0	0	0	3956	4703	0	0	0	5639	0	9529	0	11173	11640	2439	2132	5379	6786	0	13439	6421	7581	4437	14580	5668	0	0	7930	12670	0	0	1280	0	1467	0	0	1909	16577	1390	4243	4800	10383	10460	5209	2545	5650	6159	0	15902	23045	0	34830	34499	0	10943	6316	10832	13110	9131	0	1363	8549	0	1943	11025	0	2365	20128	Organosulfur	0.53846157	1.0769231	0.0
12	C13 H14 O7 S1	315.0533	315.0538	0.15521649	315.05334	7492	10139	6935	4647	14588	7245	2741	0	11546	40050	23115	1329	20968	4992	876	2788	2501	18032	14854	12927	10654	26577	2874	0	1349	6765	0	12167	0	984	1133	1624	0	0	34635	3190	2315	0	4625	17122	32271	4229	0	0	0	4971	7988	0	1505	0	9042	10290	9675	0	14153	9444	4063	2593	0	0	0	13471	8878	7074	2801	10758	4377	0	0	7866	12460	0	1360	1343	0	1035	0	1552	1256	16762	1042	5391	4366	12383	8057	4288	2675	3729	6106	0	17830	23851	2084	40109	41959	0	8580	6909	11789	9779	8025	2353	0	5497	0	1685	10394	0	0	15616	Organosulfur	0.53846157	1.0769231	0.0
10	C15 H10 O6 N2	315.06116	315.06168	0.25167254	315.06125	11769	10166	10120	14994	20417	10585	4711	3136	20582	12810	8629	6539	23919	9615	6236	11668	11157	25417	19703	6813	12482	25319	8237	15686	6083	0	7204	0	7228	5892	5549	6976	14114	8180	18510	4481	11882	6676	16185	15193	27928	9269	0	0	0	14051	14354	0	7958	7459	11919	10703	10226	0	19875	11908	6921	13583	9144	11072	0	12605	20042	14174	6990	19856	13638	15143	0	5351	11264	2814	7147	0	7334	4591	0	5878	12544	0	8525	7369	4586	1022	16236	4981	13472	11644	11912	25955	8456	15776	21363	20404	13523	0	11520	14275	12416	17579	15469	9792	6875	7882	0	11987	17010	0	6918	20881	Unclassified	0.4	0.6666667	0.13333334
16	C15 H10 O6 N2	315.06116	315.0616	0.22112109	315.06122	4900	5433	3672	6806	5816	4386	3126	2714	4156	5562	2559	3129	8031	1655	2820	5903	3586	3525	11485	2087	6780	16944	4430	4613	3649	0	3691	0	2079	2057	1937	0	5437	2657	9788	1648	3487	1930	5346	8935	25714	3882	361	0	0	2070	6239	0	5271	2433	6270	9930	6683	0	7494	5673	2502	4415	1746	4910	0	7856	9972	9465	3526	9975	3722	5166	3258	3086	3805	1707	1825	1888	4754	3041	0	2789	13488	9572	6575	2412	2014	4655	8267	2678	9676	8048	4924	0	0	3454	0	17071	12129	0	5723	3706	3251	9455	7533	6127	1517	3333	0	0	3855	0	5581	5161	Unclassified	0.4	0.6666667	0.13333334
12	C15 H10 O6 N2	315.06116	315.06168	0.24778238	315.06125	13318	12753	14356	8067	16178	12178	5001	19643	17596	9736	5498	11827	14304	8117	9468	19703	21604	19418	21742	11283	13141	20147	6606	16648	16254	0	8715	0	18976	9206	15528	8849	23077	19098	10987	19498	19136	13988	26788	13219	28733	15807	0	0	0	11868	5546	0	17758	14201	11886	8166	16486	345	16078	9314	8036	27660	0	0	17687	12792	27408	15230	6247	16666	12673	25644	0	7269	14065	19527	18776	7670	10920	13147	0	14716	16478	0	13890	7419	6834	4948	8007	6811	17673	13072	14327	40047	2528	8131	27131	16721	10176	0	17594	8980	8881	9861	12746	13081	10381	0	0	25541	14138	0	12253	28202	Unclassified	0.4	0.6666667	0.13333334
18	C15 H10 O6 N2	315.06116	315.0616	0.19987327	315.06122	4961	7235	4605	5817	5805	4607	3498	3659	5464	3854	1831	3963	5715	1838	4958	6299	7494	8261	7128	2238	6001	17402	5284	9510	3031	0	2920	0	0	1739	2449	3578	3606	0	4019	0	7757	4245	6602	4231	14649	3247	801	0	0	3479	8302	412	3984	1547	2588	6956	4839	344	4374	4916	3122	6214	2188	7474	7015	4973	7726	6009	3098	5443	3580	12664	2334	0	2438	3257	1831	0	3009	0	0	3723	10617	9558	5967	4283	2195	2105	5338	2702	11463	6191	5878	24570	6162	4623	15653	11611	5378	0	7030	1982	3563	4116	2607	4823	3361	2688	2648	13168	2290	0	7919	7874	Unclassified	0.4	0.6666667	0.13333334
14	C15 H10 O6 N2	315.06116	315.06168	0.33993465	315.06128	8679	6373	4508	7725	6073	4290	5817	4905	9459	7482	3005	3606	9756	2841	2918	7865	4870	8978	9686	6056	10491	11788	4744	6237	2455	1437	2476	0	2166	2739	1487	0	5602	3283	10669	2995	6715	5212	6633	7409	24794	4210	0	0	0	4373	8950	0	3143	3437	4794	4750	6677	0	9177	4912	4761	4341	0	0	0	5835	11028	13689	5210	12641	4897	7634	0	4761	5521	4066	2866	2250	6477	3102	0	4524	5693	0	5023	6196	1976	4863	6902	2550	6368	4379	4938	13372	2733	4656	7371	14208	12613	0	5146	3543	3735	8854	8753	4682	4541	2210	0	6027	4442	0	4733	7787	Unclassified	0.4	0.6666667	0.13333334
10	C13 H14 O9	315.07104	315.07156	0.20526539	315.07114	41242	39217	32950	33036	117423	63188	9479	8460	151646	21413	36758	17449	265283	48936	13375	14231	13953	151647	138341	13991	33749	32456	22436	8595	4759	2093	10372	5064	10762	7685	8918	8495	29103	10374	34075	8526	28092	16520	16105	13186	25664	43107	2482	0	458	7132	13342	801	14013	8381	39872	38102	78677	353	179348	139943	42066	12653	11852	15865	9506	13375	240159	187388	36727	152677	50190	20536	11922	4314	12019	6332	9411	5401	12803	9877	0	14091	20790	21400	17662	7166	4015	0	120045	40047	22167	48051	56056	10053	9204	17349	10976	34224	16841	0	40964	39922	101774	153793	136543	30667	15622	11327	0	13401	97391	0	3823	296232	Phytochemical	0.6923077	1.0769231	0.0
16	C13 H14 O9	315.07104	315.07153	0.2964736	315.07117	6432	9626	7548	8611	22885	16666	2248	4377	27484	2978	4582	7511	41192	15324	4638	0	3919	32691	23915	0	3406	3669	7767	3836	1604	0	1672	0	3024	3387	4889	0	7235	0	3310	3154	6510	5165	3102	3502	5118	7578	802	522	708	3657	3486	832	4069	2604	9726	8558	14452	407	35604	18410	10161	2762	2176	4459	0	3114	43974	37292	7205	27458	11760	3399	0	0	3786	2856	2404	2030	0	1360	461	5707	9349	0	5810	2131	1454	0	24542	5685	7666	11074	13451	0	0	5005	0	6508	0	582	12785	9076	15745	27913	19163	6496	2850	1741	0	0	15444	792	2396	52852	Phytochemical	0.6923077	1.0769231	0.0
8	C13 H14 O9	315.07104	315.07162	0.21511093	315.07114	32837	34264	25923	33597	98203	41482	6175	7241	109592	20146	28633	16908	209535	31872	13581	10811	15629	111730	104584	14070	29776	24386	19838	6407	2911	800	7617	2565	7751	7675	6089	8003	20566	8884	28462	5777	18616	11332	15688	8234	24536	38795	866	0	437	5350	13585	0	8433	7666	34343	30534	62192	257	118372	119448	41344	10596	8781	12152	10457	9103	212511	144364	36245	119170	33561	15579	8286	3208	9555	8696	7800	6188	11312	8621	0	10113	21623	14561	13127	3321	3787	0	104591	28307	18253	42403	41503	10727	0	17772	11371	28009	21549	0	33849	35110	87208	164582	146311	23591	9938	7660	7147	9339	93890	0	5009	234096	Phytochemical	0.6923077	1.0769231	0.0
4	C13 H14 O9	315.07104	315.07166	0.21205612	315.07114	4668	4999	3808	3561	12243	4225	753	1051	12739	1583	1784	1554	26121	5409	1167	1739	1544	13019	12572	1656	2013	2145	2984	1304	0	0	1311	0	0	956	923	928	2498	993	2333	891	2369	1504	1166	1056	1257	3493	0	0	0	0	2003	0	1167	958	4260	3308	6318	0	12769	18136	4014	1099	958	957	1774	0	25410	11714	4965	17928	3627	0	1001	0	0	967	1038	607	0	1299	0	760	2553	0	2349	807	499	733	17045	3667	2404	4819	4588	1199	0	682	2483	1815	1042	498	3704	3820	9521	31792	25278	2103	1239	1133	0	1095	11473	0	633	29219	Phytochemical	0.6923077	1.0769231	0.0
14	C13 H14 O9	315.07104	315.07156	0.28511465	315.07114	19206	24157	22736	18963	50835	42498	4134	6756	81791	5583	9479	11751	124894	33608	15577	0	12493	88193	63195	6034	10946	7640	16057	6218	3003	0	5110	0	5966	6188	5195	7872	15494	5449	10264	5486	11889	12570	8198	4700	10382	27973	0	381	845	1944	0	529	5302	5081	24686	20459	39476	390	92091	56181	25274	10245	7508	7854	0	8159	129764	91443	24008	69864	27225	6891	0	3509	5505	6859	5174	5152	7139	5492	454	12768	8897	0	13636	5240	1952	1905	50560	24643	12897	23197	30195	0	3388	8758	11698	11640	7368	442	23341	22699	39359	59398	47571	13900	11043	6426	0	12446	36795	444	2988	142149	Phytochemical	0.6923077	1.0769231	0.0
20	C6 H14 O7 N6 S1	315.07175	315.07214	-0.03662429	315.07175	5734	0	0	5270	3852	6108	4044	0	11310	3874	0	2946	13126	3388	4248	5152	0	7318	10228	0	0	2964	5892	3410	3052	0	0	1661	0	2670	3452	3706	5120	0	0	2662	3736	3474	0	3548	2700	0	1086	0	1136	5126	0	2272	0	2846	5388	3882	5150	0	6536	7088	6418	5580	0	2334	0	0	13498	10970	5846	0	4262	0	0	0	0	0	0	3410	0	0	1098	0	0	3468	0	1134	1543	0	5228	3272	0	3582	0	5582	12546	7884	0	2956	3200	0	4276	4232	2760	8976	4018	0	0	2632	2938	0	6250	0	1555	24750	Organosulfur	1.1666666	2.3333333	1.0
18	C6 H14 O7 N6 S1	315.07175	315.07187	0.011911866	315.07175	5794	4584	6800	6280	19488	8150	2088	4266	19454	0	0	3432	25230	7138	7204	4624	0	22842	8726	3664	0	0	9679	1323	1556	0	3146	0	0	3760	3160	0	7062	0	0	0	4648	3768	1713	2708	0	8482	1212	0	1162	1159	8059	1234	4726	4608	10266	6346	12636	824	20994	9252	6338	4118	4342	2910	4092	4830	20958	28288	6948	18900	11248	6978	0	0	0	1413	7016	2502	0	0	1092	3694	5034	6602	7737	4328	0	0	10248	6272	6170	7908	7720	0	7722	3411	2361	7218	7934	932	6924	8010	15112	17546	13788	0	4006	0	0	4188	9458	798	3592	37682	Organosulfur	1.1666666	2.3333333	1.0
6	C12 H14 O8 N2	315.0823	315.0829	0.27567682	315.08237	6394	6870	5394	4886	8580	4723	1696	4069	9375	2386	4256	5058	11779	3797	1886	4007	7149	12949	11400	1806	3286	6122	5356	4103	1285	0	2389	0	4226	2604	3489	4449	9986	3733	3468	4826	7610	2815	8727	1547	3186	8093	0	0	0	0	2564	0	3339	3824	6460	6104	8272	0	11992	7596	4885	4804	1508	2987	5837	2077	20075	10702	5771	11686	9794	9657	0	0	0	3880	4001	2006	4284	1763	0	2118	3799	0	2123	1254	827	0	9197	3736	4591	11964	9456	7504	0	1391	9025	1157	1896	0	6057	5928	5416	7907	5610	9393	3355	2102	0	7805	5585	0	1693	27989	Unclassified	0.6666667	1.1666666	0.16666667
8	C12 H14 O8 N2	315.0823	315.08286	0.29376984	315.0824	7898	6576	6802	4868	9724	6013	2285	4278	12118	2065	3472	6900	13689	3291	3242	6251	9182	10653	12742	2364	4763	5148	7240	7667	1444	0	2235	0	3674	3966	5433	5293	7074	5353	3756	4967	8476	4252	10352	1700	3888	9713	0	0	0	0	3495	0	6541	4365	5256	7983	8893	0	12884	8832	5752	6693	2239	4008	7324	1753	19519	14918	7093	10729	7838	9384	0	0	0	4737	6248	3443	6401	5427	0	3662	3084	0	2873	966	0	0	9037	0	4053	14130	11158	9400	0	0	10626	0	0	0	6000	5364	7505	7192	6638	8146	5088	2493	0	9742	6492	0	2486	25019	Unclassified	0.6666667	1.1666666	0.16666667
8	C17 H14 O6	315.0863	315.08688	0.22619432	315.0864	22450	30813	15404	26155	18177	11625	13252	17611	25562	38649	25314	16076	22324	10620	12298	20011	19129	20435	23400	30340	37490	32317	19456	20753	10251	25506	11119	15026	14491	13180	14028	17087	16813	12760	49525	14329	17327	14048	19834	26732	35589	14095	2579	867	1639	18945	31394	1754	14689	14341	23318	25425	16254	1518	25769	18164	14558	19218	9305	21253	20116	17820	33151	24630	12172	20369	11076	19969	39573	38051	65319	13350	16463	12848	14595	17800	1596	10761	23430	14629	23973	15768	11807	14195	22011	13985	21378	15426	16293	29801	0	15369	25792	25810	29045	2252	20705	24542	27760	23697	24478	17648	15557	18031	12812	16132	18063	851	14270	26639	Phytochemical	0.3529412	0.8235294	0.0
6	C17 H14 O6	315.0863	315.08688	0.2497358	315.0864	8710	8982	7018	9328	6551	3631	4497	5370	9729	12182	9565	5261	8602	5273	5412	8721	7014	10130	10532	10790	14236	14707	8924	8412	3888	7452	5285	4645	7128	5925	5567	6938	9358	3845	15155	5277	5489	5612	7664	7778	12146	6594	1536	1044	1656	6625	8912	1513	6413	7297	8576	9548	7727	1468	9526	8046	6887	9481	3664	8454	6958	5645	11159	8538	5185	10300	4885	10348	16214	11578	24025	6081	5691	5152	4090	9653	1385	5383	10008	3206	7437	7886	5799	3276	9958	5477	9355	6090	6352	10615	4572	5963	7449	6595	8229	1734	7189	8055	7799	11432	11781	8367	7530	7081	0	6002	9048	940	6487	9346	Phytochemical	0.3529412	0.8235294	0.0
20	C14 H18 O6 S1	315.0897	315.0901	0.20957887	315.08975	8516	7420	3974	5149	6878	8311	3010	2936	7356	10019	4404	2518	7415	5274	1669	3991	1586	12579	7088	8948	4444	7317	2086	3063	4271	1592	1781	5914	2854	0	2483	0	3385	3158	8564	0	4077	1841	2630	9580	4174	2953	0	0	0	4198	1935	0	2947	2337	3890	4086	5137	0	5002	4350	3225	6744	7157	4345	4426	6179	4831	5369	2832	8441	3562	3609	4941	3217	4755	2106	0	0	2333	2313	0	2413	3366	4826	2886	2830	4507	0	4018	2338	3251	3979	5597	3097	19556	21278	5936	6297	10812	0	3424	5790	5801	3057	4344	4937	2331	9843	2645	2290	6239	0	2683	8265	Organosulfur	0.42857143	1.2857143	0.0
14	C14 H18 O6 S1	315.0897	315.0902	0.32657295	315.08978	12649	18221	12592	15890	17116	18557	8433	4241	17054	30104	18260	4690	19927	8395	7187	11143	7680	21409	18405	27626	21908	34444	6126	6588	7456	14086	5385	19622	6466	4656	5636	0	8684	4231	34143	4278	22230	6922	7292	27823	28281	10082	0	0	0	13081	14447	0	8428	0	14936	10140	12055	0	16084	12083	8358	13803	12111	13154	0	17314	11974	21788	6336	16035	25174	6274	0	21216	17825	3551	5710	1941	4373	5996	0	5451	8893	0	6162	12235	13951	19064	14213	10528	12843	10107	13209	13797	50756	50766	16977	27766	38167	0	17076	13557	13041	34408	19286	8336	4418	16153	0	8921	13538	0	6316	34770	Organosulfur	0.42857143	1.2857143	0.0
16	C14 H18 O6 S1	315.0897	315.09015	0.25064793	315.08975	16871	15560	12275	17740	22052	23113	5189	4395	17488	38484	18982	3903	31514	10956	8076	6476	7054	32866	25981	24938	33032	38749	6584	8304	12312	14398	3629	23239	5787	4100	4442	7110	13084	4144	39037	6606	12105	6178	7772	40212	28865	9068	477	0	0	19384	14188	0	6324	4531	18934	18788	14133	0	20295	14994	6528	10618	18607	13352	8751	29003	17013	13679	6696	19870	15163	4346	20392	24408	19136	3561	4020	2716	3498	5499	0	4523	9274	29225	4293	15350	18063	24316	16924	9457	12055	9446	14619	0	69775	78399	0	36457	51043	0	21503	17525	15723	18021	20590	7195	5908	20088	11291	0	19976	0	9327	21123	Organosulfur	0.42857143	1.2857143	0.0
6	C16 H14 O5 N2	315.09753	315.09814	0.24379885	315.09763	15628	16981	15018	15652	15873	8084	7409	9928	18660	26224	20685	7278	19386	7252	8288	14406	11877	17596	21368	24190	33730	22120	9446	12712	5695	19730	8329	17126	6595	6933	8229	7215	14068	7207	34271	7436	12713	7958	13648	21600	38139	6973	0	0	0	16512	29810	0	9989	6273	15623	15104	10986	0	17349	12151	6259	15429	5126	12115	11184	16199	22511	14483	7956	15765	10481	16548	34452	33134	65135	7054	4328	3480	5220	5410	0	5701	11343	11672	10498	12501	6071	11881	18070	8281	12484	11495	10344	26689	10075	12881	23875	24129	27304	0	15449	13515	10887	19081	15810	13874	6634	10629	10532	11295	11656	0	7610	20814	Phytochemical	0.3125	0.875	0.125
18	C16 H14 O5 N2	315.09753	315.098	0.26175904	315.09763	18539	14177	18208	19494	15661	10161	21201	11210	9514	23065	21798	24048	10522	12350	12149	26306	28942	13572	16298	13334	19479	35948	15804	22654	13048	18632	19028	14669	10964	14151	11133	13549	21180	17100	22669	8190	17907	12631	33496	25514	54403	10404	1274	0	0	18513	26060	497	16882	14318	20749	22324	14917	433	13590	7839	13084	19177	8262	28992	19402	20862	15548	10421	5999	16004	14539	34884	21014	18948	34491	10502	8258	5393	17050	10429	0	14361	21281	45211	17392	19957	11832	19654	10746	10818	24508	20508	10995	53835	23858	18219	36091	37312	36033	887	20885	20705	9445	12123	9872	20420	18831	15135	11869	24905	6894	0	18692	9929	Phytochemical	0.3125	0.875	0.125
12	C16 H14 O5 N2	315.09753	315.09808	0.27061948	315.09763	48955	50535	44604	42074	51041	34520	27461	44664	42048	64126	66458	23183	40547	19245	34597	45636	57845	48535	65055	56477	82105	118606	43035	34127	30142	68130	25116	37133	24931	19724	28778	33350	62158	33192	89141	28819	44955	38292	59334	66119	128641	32636	634	0	307	62696	82650	398	36273	32354	51664	53761	41555	237	51025	26104	27714	49294	31228	39856	26844	57266	55819	35591	23736	47476	42966	74180	86514	100180	143543	33073	24346	14007	27549	20872	0	29852	56223	61432	38864	42459	36115	42684	34007	21232	65262	41321	34989	144493	77602	90444	83171	72796	70734	0	54009	47690	34485	32558	32823	48420	28511	34337	28024	53242	42075	0	46680	52749	Phytochemical	0.3125	0.875	0.125
16	C16 H14 O5 N2	315.09753	315.09802	0.22781824	315.09763	35998	31079	31285	29623	31181	23315	28989	24972	14926	41946	39337	23218	16089	23648	16095	40680	35134	38119	41525	37007	41261	69287	22331	40249	26117	30282	24421	31189	23562	19739	25604	18408	31464	24855	51492	24819	34133	18812	37664	44048	78745	21884	764	487	381	35992	45256	940	39808	28884	31570	31138	25141	336	17476	12207	15322	35674	13252	34628	32107	30761	22617	17259	11479	29592	27225	39377	42258	44214	65469	27977	27859	16496	20612	28052	0	16992	39364	64383	30199	28462	20090	28683	23980	11846	39827	39353	21001	92265	33482	43435	53105	55814	61256	517	30662	28777	12986	15222	16462	38059	20383	22249	17055	48955	15357	0	32121	28498	Phytochemical	0.3125	0.875	0.125
20	C16 H14 O5 N2	315.09753	315.098	0.23725092	315.09763	13978	8571	9218	15439	6753	5981	15040	8806	3409	11744	12228	10407	4706	5240	9522	12713	26612	3642	11031	5902	9123	22259	9824	20542	12430	6040	13235	4832	10738	7015	10482	7994	17585	10824	9737	6850	16915	7279	24494	19881	24148	7130	669	0	467	8740	12199	913	14697	7033	13286	9627	11257	1093	4449	4011	7104	12846	5938	13606	9332	10634	4200	6174	4824	7708	9473	32307	8106	5172	14193	5772	3735	3237	11101	6222	0	8173	26174	26523	24151	12294	9438	0	4991	6221	32125	15759	11208	45288	10854	15439	23847	20420	13255	1125	13498	11980	3891	8966	10962	17529	8613	9320	4697	23453	4468	778	29116	9141	Phytochemical	0.3125	0.875	0.125
6	C13 H18 O5 N2 S1	315.10092	315.1015	0.2658462	315.101	8738	11168	9024	9332	5762	4304	4088	9356	6642	4550	3772	6725	6192	2266	9096	13443	9915	11101	11675	5518	7112	16187	7608	11257	6725	1719	4904	0	8379	6424	9374	10566	13151	5638	8960	8314	12494	5954	11194	10307	12747	6126	0	0	0	8763	11376	0	12666	6831	8088	8929	6726	0	9084	4882	3474	15091	7258	10944	10369	7123	6938	5030	3428	6791	5749	11305	2142	2874	3107	6957	5029	6792	3527	5931	0	5357	6748	5138	6243	5736	7160	4727	6823	5045	9079	6368	5685	16437	9799	23074	23928	8783	8428	0	9399	9384	3899	4298	4427	11156	6450	14441	6868	14352	7481	0	6385	11150	Peptide	0.3846154	1.3846154	0.15384616
12	C14 H18 O8	315.10745	315.10794	0.15399244	315.10748	327523	346751	371842	344125	599341	449119	175011	204348	934404	502045	341208	141347	959221	253995	218202	202231	193112	1067878	937132	506183	572284	341424	258466	151757	116279	135759	161117	262638	275904	162052	201266	225168	410481	234104	726412	216887	364043	200325	194077	376061	321803	338230	10172	1919	2635	169821	172756	1864	236532	155656	347979	338821	549784	2738	1475408	605189	291621	226821	286731	203223	242979	347201	1014676	954968	216324	745280	372872	175615	280906	287912	329475	174714	215183	200893	169546	195156	1374	195195	215417	204735	156832	146907	147004	162287	505576	334427	218306	259739	370587	178053	200620	343278	185819	276144	272391	3570	356543	394926	535955	507498	489414	358207	164946	240750	135691	179627	606841	1931	99214	1281801	Phytochemical	0.5714286	1.2857143	0.0
8	C14 H18 O8	315.10745	315.10788	0.17446207	315.1075	141598	142015	106880	138013	364974	128766	67585	102939	277010	156697	121376	75417	337194	76662	89096	114588	108447	290745	315400	317628	169367	265768	114595	106758	39703	37358	67716	70506	100190	200964	83248	211188	131141	95062	419028	94756	294152	85820	238640	104190	252746	131905	4044	821	1234	87394	96294	1058	107179	86999	127422	141294	328810	1259	386945	450290	210544	106172	109630	95998	114431	80728	319314	312925	85549	237213	129183	112937	89641	157278	117983	92641	94713	85751	82217	92436	906	153590	121605	61422	84169	54773	63667	46839	207336	104660	111477	115348	271686	100069	67775	122251	106744	108919	115867	1723	146128	295046	180194	479518	230821	151116	76911	138923	49582	85282	207891	813	98914	669136	Phytochemical	0.5714286	1.2857143	0.0
20	C17 H18 O2 N2 S1	315.11618	315.1166	0.43016917	315.1163	8172	10474	11476	10338	0	6942	14065	33456	0	0	0	15460	0	0	10786	30716	49515	2052	4908	0	0	14758	10834	59300	8128	0	16536	0	28684	32828	27314	37870	49696	33761	0	23704	41892	8320	47361	0	0	16930	0	0	396	6592	0	0	44908	29078	5124	4678	6472	496	0	0	5258	40034	0	0	38302	0	0	0	2314	3612	16446	49946	0	0	0	21028	26060	21136	21206	27380	521	19950	12256	4380	13032	2610	0	0	0	0	13960	17884	18222	70646	0	0	48656	1362	0	0	11480	10132	0	0	0	37325	12117	4218	0	45764	0	0	17842	0	Organosulfur	0.11764706	1.0588236	0.11764706
2	C13 H18 O7 N2	315.11868	315.11932	0.21328858	315.11874	23502	26782	20628	22176	37350	36794	10409	24438	35255	10571	12365	22467	57625	13276	14834	4082	18954	54917	47453	10958	21273	37102	19925	25819	6638	633	2558	4018	29806	16200	25784	25516	49701	26295	17039	21764	37217	13044	20633	14011	9103	33714	0	0	0	12020	7852	0	28480	14615	22704	27070	34663	0	41438	19516	14566	33474	11917	10787	7192	5294	80191	48269	21009	52724	37202	22564	1422	3545	2806	27395	28428	19587	2825	19533	0	14128	13613	0	11655	5089	7304	2683	22397	14097	13264	43326	43416	33023	19994	20835	46619	7594	2239	0	25563	22780	17114	23786	21960	26708	17842	15374	6705	41851	17512	0	10604	109888	Peptide	0.53846157	1.3846154	0.15384616
0	C13 H18 O7 N2	315.11868	315.11932	0.0567036	315.11868	7871	7624	8660	6287	9030	22069	0	11631	7418	3412	0	4112	15006	0	2811	0	1678	17296	14441	3062	8259	10060	5787	12565	2545	0	0	0	11284	4192	8211	13472	22463	10275	7922	10831	14046	2057	3086	4917	0	14348	0	0	0	4386	0	0	12539	6013	6962	8316	10180	0	8704	4183	0	13640	2689	1289	4070	783	21622	11378	4627	12593	14089	3134	0	1912	0	9401	17753	10217	0	12993	0	4427	1790	0	1570	967	0	0	3325	1479	1907	9367	15339	4089	4722	6114	13937	1359	0	0	7579	9236	3012	3550	3153	11262	0	7104	0	14165	2929	0	1794	36238	Peptide	0.53846157	1.3846154	0.15384616
8	C13 H18 O7 N2	315.11868	315.1192	0.1944282	315.11874	90095	82550	61800	75664	64651	54337	44047	75268	96363	31396	43809	63748	88737	25706	68573	96204	102157	113488	110184	46324	60694	82441	79010	85112	37653	2851	48244	31400	73032	64489	66733	83698	104618	70732	55373	70254	111877	62880	116430	37840	50905	68147	693	0	0	51150	57294	0	79709	66124	69178	76134	68200	439	139038	53723	54336	75763	76533	66697	86704	35135	96279	99504	49763	87782	72090	112986	10803	14053	13380	74545	65760	58349	64926	64261	0	59180	61788	26655	45222	28667	30897	11480	61684	53287	60354	83658	83175	117143	44525	81977	148191	37822	36904	510	76158	78684	56657	43052	42608	105669	59932	72890	146318	96454	68756	0	44633	139277	Peptide	0.53846157	1.3846154	0.15384616
12	C13 H18 O7 N2	315.11868	315.1192	0.23910485	315.11874	24442	22009	18481	25122	16044	16582	17166	25949	24245	7014	10502	24592	20003	9726	27082	40163	34386	24825	36064	13208	23803	30586	22775	31895	16213	9176	15002	0	27940	21459	27519	31022	42263	24783	18189	27114	38282	26069	35095	11448	16051	21275	0	0	0	13025	14333	0	29761	26866	25803	21919	23614	324	31390	12196	13726	32190	21378	13007	19366	6574	18970	26193	13543	34331	20959	33466	0	12417	12780	22868	22858	24566	26319	24458	0	23560	22162	0	15664	10710	15224	4066	13946	12917	22827	24500	26981	45363	14260	30566	47073	9559	8361	0	24097	22193	13372	12584	8882	33842	23951	18954	0	34540	19291	0	18034	24689	Peptide	0.53846157	1.3846154	0.15384616
10	C18 H18 O5	315.1227	315.12317	0.11677135	315.12274	121995	117810	105223	106037	69595	51232	95118	139460	79127	125275	101583	93556	73346	44679	86434	135402	109869	84557	100960	160231	153918	137400	101743	148029	78829	211955	93756	82179	101494	108988	106067	114979	124775	90232	149342	111549	102219	92651	128273	120060	140627	63588	11668	6658	8550	115087	127850	8803	114238	111775	109773	129083	68983	7278	87121	70422	58817	146332	99570	122983	137520	81367	74797	78286	48639	71023	59944	138810	185415	212811	263448	101493	98609	99203	109899	129408	7746	78060	132096	73601	139002	103174	104865	90820	91155	56634	128559	59286	75774	145746	85250	91603	139688	86816	117062	10997	112799	116432	73664	79318	81069	111832	91649	129962	71645	103609	66015	6423	98062	77037	Phytochemical	0.2777778	1.0	0.0
26	C18 H18 O5	315.1227	315.12314	0.20752381	315.12277	35490	31894	29243	36152	42443	24457	12943	27098	37270	41307	35972	18725	56575	29093	21180	35452	24012	40757	51823	55715	50382	44224	28746	30497	21011	55640	15390	32710	24471	23174	25374	20100	32078	24084	57863	27868	30009	21470	23731	44327	40323	29098	10276	8053	14285	29338	30111	10271	29152	24698	31226	29559	30345	9682	38570	33604	21513	27176	18465	16561	30686	24209	52114	31379	16783	44694	29066	25386	69556	74623	85974	26202	25740	21889	14930	25920	0	17118	33722	30368	26874	24595	20101	28375	39944	22094	32903	26066	27361	31626	30828	28083	45271	32090	44047	9052	32556	37283	30437	46327	48686	29714	23088	28988	20724	23033	24956	9231	19833	42081	Phytochemical	0.2777778	1.0	0.0
12	C18 H18 O5	315.1227	315.12317	0.12829669	315.12274	251987	285778	244987	265830	148509	104186	196285	255880	164848	266332	238470	152361	130227	87098	165563	276582	235852	163493	224761	360970	318953	303814	203476	287521	152048	457115	199513	179285	191800	202237	197518	241212	234544	187668	304092	207623	203413	182035	258104	282052	323485	127076	11958	5976	7201	228333	266044	9697	263958	230195	264419	270442	141351	6164	182968	129759	119007	271908	194560	221604	267578	169239	195103	148346	91883	162253	121126	244740	450302	519733	617056	184704	202911	196105	220701	240443	4791	152630	237505	133867	248663	209454	208378	191208	185402	123615	206195	118458	143681	319981	198602	208698	275989	155928	224950	11307	262534	274123	153636	156865	141038	230756	176696	253752	158039	198774	143607	6204	185738	194610	Phytochemical	0.2777778	1.0	0.0
24	C18 H18 O5	315.1227	315.12308	0.19639997	315.12277	86147	89507	68929	85844	100781	63967	34042	65963	84141	123057	95572	43682	122968	64238	51908	60189	56082	102722	116363	140749	142342	101110	67813	77931	46797	169747	29786	104061	51787	49314	48899	60632	66286	53666	142900	48199	71720	42469	50791	108825	114440	51636	23570	12210	26599	79392	67463	18288	52278	55757	78933	69946	72307	19894	96683	79656	46401	67567	46092	44659	68541	75221	105499	76403	40932	109793	69932	55025	155860	175744	209291	53336	50018	48312	34792	51125	21684	46257	73605	75128	66273	57289	41970	79350	108526	50845	74868	61629	66904	66602	68527	63779	77214	85324	109189	19457	75824	80487	68182	94191	92268	62681	39508	64050	53940	54900	63107	15470	44839	97397	Phytochemical	0.2777778	1.0	0.0
8	C18 H18 O5	315.1227	315.1232	0.097382724	315.12274	55609	59208	42779	57150	25816	24879	41344	59763	39368	51066	48466	43862	32655	20823	42856	57478	54132	31258	40789	66854	61520	64110	49208	71979	32235	127186	41246	34081	48336	49775	42719	56370	49383	38812	78343	45378	46536	39704	66879	53970	66625	28374	8459	3925	6542	57194	62313	5912	59879	53980	45011	56982	29758	4825	44310	32451	29911	57235	44522	60477	56259	38909	31417	35002	25785	34034	23881	62432	70149	67609	99531	50643	49728	49099	37985	58334	4792	39823	62158	38615	55738	51872	51642	40272	37169	26437	60022	25508	35819	73332	34052	46064	65924	39760	50154	6830	52335	54935	34599	34230	38795	50575	46359	61288	34911	44575	29654	3837	44625	38338	Phytochemical	0.2777778	1.0	0.0
22	C15 H22 O5 S1	315.12607	315.1265	0.19753133	315.12613	9806	7316	4587	7393	6276	11157	3015	4603	5611	10733	3943	1447	3351	5218	3829	11549	6129	13383	10253	15599	12821	18111	5885	5819	9600	1939	2938	4977	5232	2916	2383	3853	5753	6227	14017	4085	5318	4770	5000	9003	4830	4826	0	0	0	10253	4759	0	5433	2795	8024	8853	8534	0	7049	5809	3866	12802	15499	7062	6759	5773	3839	4308	3383	7740	6443	5902	1860	6158	2777	4928	1588	2372	2577	2796	0	0	3945	8660	2737	6485	9050	4846	6508	5698	6616	4328	8177	15284	37067	44762	13151	12180	12055	0	7802	6986	4141	3045	4998	5399	3084	12194	7301	9913	6840	0	5890	6888	Organosulfur	0.33333334	1.4666667	0.0
18	C15 H22 O5 S1	315.12607	315.1265	0.17643318	315.12613	1334368	1303930	1108300	1088784	1115024	822378	641034	951554	883778	2055216	1600134	594380	1168670	722418	760660	1044986	762082	2624528	1561598	2302572	2307772	1371754	920000	1074412	696090	3373566	605798	1449578	882990	762874	822478	851762	1090166	876010	2070542	787548	1118706	716542	839768	1704234	1830096	773680	102820	17586	20098	999772	1006942	22484	953146	806344	1254026	1182542	902848	21072	1090434	875698	668648	1130156	724106	744760	1002504	1178624	1210350	906476	555502	1239902	933664	851680	2818824	3482326	4231706	813132	663972	705004	679696	904802	15222	608876	1139566	1003454	906508	838088	693366	1198596	1026318	787554	1022830	889740	934766	1087018	1237524	1255078	1421244	1026562	1514908	33880	1223190	1150790	885518	887412	980870	999098	623496	1013818	566356	834862	707088	20622	771002	1161010	Organosulfur	0.33333334	1.4666667	0.0
14	C17 H18 O4 N2	315.13394	315.13443	0.18153964	315.134	173634	176151	154251	168096	86880	80832	185883	148248	81129	202950	181047	105438	52419	49623	95937	192888	188043	97647	108090	231129	286392	230217	103755	195711	149898	347661	171537	216309	117699	119436	116488	121485	159519	126180	252096	115185	151677	118041	190836	244914	365136	75417	0	0	819	166302	203700	0	128460	114375	145605	141585	79995	930	80460	55716	96486	155793	75366	123957	160047	151224	87033	76158	52668	68508	86781	204393	278325	378984	478179	122400	97389	105225	125874	104058	0	84954	188691	202467	168474	107355	123954	182829	55872	61716	169440	99831	88803	392361	244638	154926	338337	187632	249471	0	158451	142938	49143	51120	53613	130386	100605	177444	80247	183222	66897	0	205536	85944	Phytochemical	0.23529412	1.0588236	0.11764706
12	C17 H18 O4 N2	315.13394	315.13443	0.17248657	315.134	47912	53481	58847	51998	23024	23556	46544	47936	24165	70269	69093	29127	20294	18419	33541	71045	62617	26283	41221	88242	114893	76777	32086	65765	39123	113487	64701	60736	46860	38440	38619	38345	53940	39486	89485	36491	46839	30711	76735	82638	119451	28328	456	0	0	61528	81053	0	47256	42158	59824	52589	24814	493	29463	19200	25196	55952	21857	38737	43291	55577	23931	20350	17083	28691	26705	68796	92784	147198	194580	35329	29856	30733	50855	34450	191	29907	50783	45423	48270	35843	27950	73304	18618	18225	48958	36041	27354	127110	52775	44294	98334	64445	73659	0	57187	60569	18810	19526	16415	52077	29631	39987	22469	55738	20024	0	53055	26317	Phytochemical	0.23529412	1.0588236	0.11764706
6	C17 H18 O4 N2	315.13394	315.1345	0.1320898	315.13397	41892	42866	42478	38238	21363	22850	25512	40560	18262	84215	54977	21653	18776	18291	25879	47403	34839	27507	28761	92184	100956	48992	24090	52164	25561	103832	22008	51337	33993	34408	34856	41832	49005	37003	84634	32411	42492	23208	46398	52274	67666	23162	0	0	0	49723	59638	0	44606	33940	40559	36710	23556	0	21925	13044	13154	39792	6892	25925	41936	34638	19448	16996	11421	19168	25631	50675	85316	139296	158595	36834	32591	26198	24985	31339	0	20870	31229	37589	25911	18624	15692	43418	12403	12405	32703	25321	23667	60115	36575	24833	57151	47448	72226	0	39709	39600	12498	14453	13939	42753	20261	37637	28383	40986	11089	0	27308	22494	Phytochemical	0.23529412	1.0588236	0.11764706
10	C17 H18 O4 N2	315.13394	315.13443	0.099069744	315.13397	63767	52051	49893	40864	28081	26435	40211	49927	20075	102354	82496	33732	23756	40314	32678	52818	47675	31435	35365	113971	139958	63799	32861	63748	37884	161254	44471	74447	37964	35670	36828	39558	51704	39473	101500	36907	57549	34684	62053	91135	114394	33345	0	0	0	77378	87237	0	52815	40090	60235	48627	29068	368	27666	16925	17252	51239	16811	41714	53613	49005	18662	20818	16190	25418	29528	69896	148531	174549	214454	41290	33651	28462	53465	34119	0	27330	50465	62225	42032	31677	20570	64226	20625	17092	47618	39252	27117	90438	71373	44860	84621	65084	110872	0	53261	63109	19544	23103	22796	53001	25120	49057	38493	45506	20192	0	45878	27749	Phytochemical	0.23529412	1.0588236	0.11764706
8	C17 H18 O4 N2	315.13394	315.13446	0.121441014	315.13397	47878	53234	37977	48386	24137	20837	63512	43975	17715	114300	79279	30421	17058	16370	29881	48054	48416	22465	30228	131911	123198	68055	34773	48137	28881	146604	73963	81265	36029	33946	32031	45868	50454	38996	118692	35598	48643	28581	55388	89757	99799	24428	502	0	0	68105	88831	0	45907	39248	47657	46113	24214	289	19482	12651	16616	41348	8603	29804	45462	49636	22679	18250	13857	23665	22911	56731	113693	179602	207809	40387	32316	26374	34753	36674	0	29696	36873	56721	31532	25759	19276	70696	19675	12430	38636	32946	25058	72331	53142	31610	71619	66702	93434	0	49797	48083	21053	17183	14133	48794	23886	46315	21576	44023	14612	0	33351	19716	Phytochemical	0.23529412	1.0588236	0.11764706
22	C17 H18 O4 N2	315.13394	315.13437	0.24939808	315.134	7504	5312	3900	5433	4944	2778	7580	7657	5449	3025	6607	7566	2580	6584	7381	9466	13028	3245	3674	5032	2340	8048	6471	16131	8379	2907	10253	5530	9057	11201	10610	6207	9291	4311	3919	10066	8069	8525	13252	4313	9249	7345	0	0	461	5193	4351	0	9678	9838	7910	7816	3551	438	3779	1834	7048	12074	3324	4699	7524	5120	3196	1745	7370	4242	6068	15122	4936	3776	8781	6051	2429	7743	5836	10521	0	7560	10583	5881	9972	2908	3262	3460	3544	5439	11976	5750	6209	23865	4727	6572	10969	7967	5592	0	4841	4196	9334	4352	4469	17675	5674	7432	1156	13920	4035	0	12259	5099	Phytochemical	0.23529412	1.0588236	0.11764706
18	C17 H18 O4 N2	315.13394	315.13437	0.2013784	315.134	32711	36416	32714	33272	20248	23621	39660	33338	14173	43502	40169	19327	12081	13558	33839	40885	43515	16900	23070	27710	39221	42515	26976	44292	33709	45129	42873	40888	27498	21490	30620	27247	39757	29876	34045	29227	44301	24858	42471	47444	66542	22056	679	356	0	24839	32069	625	38658	27184	32418	37070	23244	312	16748	12547	20132	49580	13718	24419	39754	27238	13029	16221	18029	17395	22132	58930	43198	54574	69381	19908	17179	13291	26177	26253	365	18238	47436	45707	38501	24452	18318	32904	15266	23818	61569	27571	24481	75342	41651	41833	68090	32710	41905	650	32735	32779	19035	15411	19108	49474	19817	26733	16950	42923	14411	526	42164	13032	Phytochemical	0.23529412	1.0588236	0.11764706
4	C17 H18 O4 N2	315.13394	315.13455	0.19459884	315.134	12976	16867	15405	15440	8330	8841	9469	17191	8171	25830	17527	10404	10253	7375	12768	16766	17509	11496	12812	30173	38400	18907	13381	18569	11770	44098	12020	16701	13411	10758	13261	14110	17891	10677	30953	12443	14602	10713	24712	21949	31015	9140	0	0	0	18203	34144	0	17000	14244	16002	14371	7837	0	9559	7488	5444	16818	4030	10905	16148	14862	7489	9208	4419	10491	8320	23255	37473	46180	55017	11181	11159	11144	14117	11289	0	8657	14753	20253	13849	10493	7534	17259	8385	7332	13710	10526	10525	22984	16647	13937	27634	18247	30697	471	14554	15922	7751	8594	8406	12687	9055	20252	13204	13972	6825	0	12086	8340	Phytochemical	0.23529412	1.0588236	0.11764706
24	C17 H18 O4 N2	315.13394	315.1343	0.18236837	315.134	37431	40124	34545	37810	35815	15409	55653	41880	12629	8309	7487	40811	14020	26864	27021	76201	217769	44826	66978	4835	6435	11772	25221	142162	34911	0	47775	5793	43507	38207	36374	61405	177202	58299	7569	63489	134094	21125	239149	0	3274	31152	0	0	0	16498	2365	0	45346	33566	33255	35848	63287	0	10361	9051	12577	68705	1029	2759	71236	1096	14876	16156	11650	37423	28166	249669	0	4222	4754	33656	39552	30945	73524	40335	0	35641	25852	3706	39989	2451	1618	1080	34009	30870	35433	109798	71763	62906	5511	1404	45234	2676	1519	0	38115	35124	19230	14832	18758	203401	32241	2166	1582	164462	22002	0	42661	20255	Phytochemical	0.23529412	1.0588236	0.11764706
20	C17 H18 O4 N2	315.13394	315.13434	0.21312277	315.134	13390	15203	13665	8734	7563	9066	13162	15158	8296	14425	14435	10376	5062	7967	10586	22178	25058	7480	11528	13074	13179	21593	11603	23351	17238	16994	18032	20127	15986	14598	12681	13444	22467	14500	13772	13728	18065	11764	27731	18011	27342	10577	922	0	0	11445	21138	663	17501	11455	13485	16613	8002	360	4256	7101	10354	18479	6328	14196	19242	9988	3486	6831	7300	6910	10681	34770	17811	15157	30821	8464	6876	8120	14474	10429	0	14968	24806	23976	19958	13629	9723	13875	6169	6858	26848	15481	13499	34034	23024	18850	32731	22237	17787	525	15846	17236	7276	5538	8890	19180	11926	14725	6511	24978	7555	779	22102	8488	Phytochemical	0.23529412	1.0588236	0.11764706
18	C15 H22 O7	315.14383	315.14426	0.18998395	315.1439	161682	144541	150399	149467	207269	196844	117777	134322	251286	179189	77113	68154	386819	138675	151316	122681	67760	364342	351760	205910	126115	123240	119032	109917	131882	39676	81707	90576	192737	145981	141675	183787	256471	173841	190901	189066	252163	119769	62503	112185	48214	157702	8445	2313	3370	75707	30496	2954	167230	103851	151315	157220	193861	3444	558064	223382	118839	146208	150867	40523	136632	78023	251490	280901	80453	248462	175213	63190	32770	78753	33744	134467	141641	155641	80824	143190	2232	110495	85696	68072	75361	48833	105897	67021	141557	137738	104659	110351	172835	55059	194216	230218	123909	60033	93566	3873	163990	167371	139490	158492	188122	216693	83468	156880	50144	86350	152603	2823	84391	320296	Lipid	0.46666667	1.4666667	0.0
16	C15 H22 O7	315.14383	315.14426	0.15145512	315.1439	296905	267935	319141	314780	420070	381947	252865	279532	563970	322525	157736	161545	748691	300074	305791	265178	158912	754108	761403	408446	275973	216951	245442	200193	252381	74937	204304	210712	406505	277791	288054	339658	501895	325471	365182	357847	504398	222970	153328	224016	88904	323062	18710	6239	11601	168599	90957	4757	360501	232501	303602	300966	419751	24070	909112	451854	245358	325079	295223	124458	306691	136202	540461	573531	211707	524203	378641	132370	98087	149928	88555	280787	317716	322179	170370	283096	3363	200932	186229	167220	134197	116664	235520	130817	302649	272283	210911	226155	369022	133922	319699	415220	238660	118771	210591	9834	310788	369632	292145	355728	419806	457760	165187	296344	94396	228417	363392	5480	162089	682735	Lipid	0.46666667	1.4666667	0.0
22	C15 H22 O7	315.14383	315.1443	0.26366004	315.14392	15298	14640	13424	14143	14411	14835	9800	18628	16124	10979	7782	12620	17441	8543	15906	13671	9733	19096	16639	12398	6822	11551	14350	14876	16294	3072	9175	5374	18369	12203	13953	15190	21206	15210	14175	17857	19958	12152	9350	10770	4808	9361	0	0	2949	9111	3554	2973	20587	11330	16107	10881	14925	2257	29870	15010	10378	17242	12575	3197	15406	3250	23693	20412	7742	18763	12600	10178	1871	8389	6551	13075	13903	14681	6425	16027	2184	11317	13623	3522	12470	4970	15142	8719	13728	11455	12120	7808	15328	10730	14645	22623	18728	5531	6221	0	13227	17527	8103	16980	13589	14485	11863	10042	8795	12353	9919	0	7176	22318	Lipid	0.46666667	1.4666667	0.0
14	C15 H22 O7	315.14383	315.1443	0.1043967	315.14386	319201	314771	300985	321259	382710	368625	332222	297762	487350	261323	168744	171906	677866	364468	288001	318085	224428	705671	606995	361691	290768	295987	280522	279061	301086	107478	331228	236123	409315	305172	269376	363922	529211	300379	342277	362205	490499	248039	229676	194151	129989	311488	29598	8408	14257	202597	116759	11415	346388	222723	306223	307008	376720	24490	848299	396215	214974	427780	299063	173425	410545	156508	619624	518802	286402	490655	366182	200270	159784	233083	133538	257085	271075	311808	221698	281042	3051	238106	243548	201908	177926	162253	266371	153947	333115	264721	290685	247486	353952	240198	343315	331927	383936	142897	167978	27445	320688	342911	278520	419281	443407	441091	201575	348948	97777	271698	344508	11820	182282	628636	Lipid	0.46666667	1.4666667	0.0
20	C15 H22 O7	315.14383	315.14426	0.21025957	315.1439	40130	41722	40448	36029	46095	46605	25284	42313	53328	39533	18800	24574	88275	32310	43119	35953	18022	82859	67825	40180	34514	32731	35826	36532	34137	5305	22156	19880	52644	45516	45772	44931	68319	48776	44959	45000	65327	29800	21548	29906	12659	35009	4933	2372	2603	19662	12454	2978	51973	32578	40491	46599	46145	2542	123277	48295	30694	44825	41078	14509	40600	19666	75871	65853	25947	68177	49518	21238	7715	14486	8978	36643	49940	53898	20543	40883	2402	31634	35218	22925	24194	12870	37191	17520	34799	30065	31344	24633	37971	19257	57554	48348	44440	13514	17808	3394	40933	44058	34710	40496	40871	57520	29414	40737	21480	41135	36791	4185	25602	87075	Lipid	0.46666667	1.4666667	0.0
12	C15 H22 O7	315.14383	315.14435	0.07767609	315.14386	407920	437946	450542	455812	200565	354696	226194	264275	233065	157795	110159	130846	265800	126194	413608	527490	201549	655516	747364	457176	199125	202269	414756	213151	176959	77514	207799	129867	629650	364892	222488	492478	650604	432922	202879	453518	581926	386344	438890	133632	96977	355046	9195	2699	4335	155069	97501	3318	494012	374182	450182	206709	450832	4269	846222	219295	151053	579288	198015	139266	272330	99221	295295	259139	128349	280598	406060	191436	92165	134535	94730	187603	398258	198689	383746	423094	1500	330526	226604	102777	165340	119616	226235	110420	209285	162121	224447	141446	386372	246290	191008	533324	562710	103728	143776	6094	224689	246395	167581	246742	300769	580756	305268	216584	75519	395962	208539	3642	156472	320274	Lipid	0.46666667	1.4666667	0.0
6	C15 H22 O7	315.14383	315.1443	0.07675429	315.14386	27819	58782	56822	61046	40632	14333	56500	77404	48698	28736	13665	43326	32483	10142	56054	78564	34149	48632	31406	40618	21762	66510	28673	88626	18563	4727	39598	13849	75144	67086	60932	71446	71424	26408	21028	78390	67372	49216	80764	9237	26326	38394	1337	672	971	53154	63198	678	75464	67984	60308	50578	39920	861	44083	29719	15555	39238	28882	47526	43508	22668	26254	48958	26872	50590	45066	39243	9790	7332	9182	53938	54508	71188	38572	55602	639	44676	58364	14545	26675	39922	52746	8609	27587	38856	33681	34146	39540	87006	16446	26574	91686	15397	21911	1087	24051	60100	29578	40017	94424	81536	44392	69176	16883	27963	26982	675	21087	56940	Lipid	0.46666667	1.4666667	0.0
6	C14 H22 O6 N2	315.15506	315.1556	0.11618554	315.1551	74078	72870	68329	69320	47639	41301	49248	85369	60762	36975	22423	51711	69061	18478	72881	100118	69777	92923	92436	42850	47009	96698	65988	98002	45520	4200	45895	25308	82143	76592	82429	89984	108120	84289	57813	85027	104467	62217	89666	27862	35905	46860	816	0	0	56335	48673	0	92611	73110	75013	70737	48973	0	80147	32555	30928	95522	59947	48092	95166	23013	62197	52283	32484	69810	51616	98867	10137	15549	15207	78869	80491	75280	41218	61760	0	51903	50557	24832	45186	30277	38446	14645	44156	51127	63946	56725	61312	132578	77179	106687	180450	30878	36406	0	67371	69213	28641	27477	37495	105028	50129	69008	30197	97336	49645	0	50336	98980	Peptide	0.42857143	1.5714285	0.14285715
20	C14 H22 O6 N2	315.15506	315.15564	0.5199896	315.1552	1609	0	4001	0	0	0	1558	4688	0	7005	6149	879	2892	3089	3782	3330	2635	0	2232	0	2234	0	1990	4451	3106	0	4786	48284	4046	5514	0	3397	2560	1833	0	1683	3032	1857	3366	0	0	2046	963	696	0	0	0	0	2086	0	4143	4322	0	937	0	3792	1459	0	0	1359	0	0	0	4004	1853	3519	5366	3570	0	0	3561	1713	2156	1370	11018	6184	0	1780	0	4465	2581	1228	2251	0	0	1259	0	1383	1713	2900	5685	8512	5808	5065	3664	1293	5889	2467	2671	2061	0	0	995	2342	3942	0	0	0	1961	1982	Peptide	0.42857143	1.5714285	0.14285715
22	C14 H22 O6 N2	315.15506	315.15524	0.5734504	315.15524	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1696	0	0	0	53968	0	0	1802	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1112	0	0	0	409	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2718	0	0	0	0	0	0	0	1260	1167	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.5714285	0.14285715
8	C14 H22 O6 N2	315.15506	315.15558	0.09285784	315.1551	72687	88343	63669	81169	46232	41494	53771	87704	56224	33134	23612	64765	62687	21054	82850	119002	73798	79080	82753	54862	43109	123133	79037	117969	64478	4512	61099	27175	92874	70280	76873	94537	99116	76287	64417	83162	102957	62873	94287	40328	40141	57048	645	0	0	61695	47252	0	92300	76171	75463	73347	49901	312	81103	27746	34686	101338	66770	53708	112968	27101	55435	60638	36106	64009	45715	96998	9404	17429	13161	82498	70214	77685	55962	69068	0	60885	79407	37553	62530	33054	50637	17201	36860	40881	77050	57484	59783	159683	90942	123661	313076	31186	43700	560	83074	79358	35922	28274	30994	101349	54691	81071	22169	99126	48910	0	65916	79462	Peptide	0.42857143	1.5714285	0.14285715
2	C14 H22 O6 N2	315.15506	315.1557	0.14510453	315.15512	73418	71776	63610	61284	78154	72933	27943	72684	84609	31555	18968	44790	127649	29947	45913	36365	53127	136594	128483	36215	45241	91199	49140	77218	32239	1511	15183	16741	89429	47233	76368	77566	134552	79344	50552	69922	106781	36356	59508	33730	24980	66679	318	0	0	37161	20972	0	81862	44163	62469	68842	80587	0	101761	37321	31386	100527	40366	30817	49611	13325	138102	95219	28945	105603	82541	143792	3900	11998	7088	79874	78201	60068	15237	58258	0	42406	38126	16372	29549	14930	18853	5778	48955	37020	44575	82472	88468	86509	69201	94862	135655	20586	14846	0	70805	67958	37195	44514	41905	78509	40831	60373	15980	95288	51064	0	29860	207587	Peptide	0.42857143	1.5714285	0.14285715
16	C19 H22 O4	315.1591	315.15952	0.0930497	315.15912	677320	724174	676343	675509	555753	382461	667195	734577	454102	611449	497596	568724	462833	389975	550105	923026	1048391	543795	709613	849204	860155	614400	602875	834792	527377	1342656	646508	439961	651573	663534	694746	788210	804176	548514	664792	688041	761134	522643	1118387	643061	834169	446323	21792	9989	10051	493577	573310	12666	845776	718095	713306	733240	485667	11784	467885	481675	401016	893814	445286	730928	747231	403151	480167	398090	303896	511130	480056	1007695	1100686	1310378	1651872	590048	650337	668501	886218	779758	9206	469150	798670	491502	614929	471898	633441	539442	591399	391660	768476	521138	542231	1171548	625081	595072	927800	449608	600171	15129	677900	685395	427106	656292	757144	804499	466238	676155	279194	770368	470113	9538	699358	500886	Phytochemical	0.21052632	1.1578947	0.0
24	C19 H22 O4	315.1591	315.15945	0.1411918	315.15912	391522	405187	360292	401446	408631	327509	188728	374487	304490	540650	496093	240746	501967	324769	281695	415451	317768	487759	515771	706767	695798	401149	306187	431373	266141	793140	176795	492632	369510	351511	307677	385345	419516	363580	632725	395101	489130	219420	303404	497604	472948	306929	59871	20842	36978	328372	254707	18224	390202	327094	374869	367239	345573	57946	349614	351030	217687	421046	291281	229966	429073	363049	363910	298981	180172	496279	370157	291984	703505	743460	844027	360570	325559	322952	246909	340849	17079	276664	330100	283339	262319	224365	239625	379975	370767	225550	336869	293229	329535	323381	373644	394579	465145	333257	434023	47211	391175	402756	287297	403756	430005	445837	234646	449899	225294	356313	243017	14050	257478	378891	Phytochemical	0.21052632	1.1578947	0.0
20	C19 H22 O4	315.1591	315.1595	0.13338007	315.15912	1141000	1255933	1142203	996557	990014	743258	728935	1115460	819881	1453340	1075572	742994	1004471	777000	866225	1257366	1124093	1014147	1250794	1866713	1889145	1173876	833286	1293056	762908	2800768	777392	1093580	1101803	1011761	859867	1065630	1325845	1114064	1504219	1047654	1310435	719961	1077160	1370410	1603289	807110	42280	18187	12504	841653	921289	19139	1164209	937754	1164692	1176320	853836	18513	790277	835769	653500	1255331	757142	868165	1147800	878608	924823	745314	502251	999960	826245	1180580	2159738	2685337	3276473	970026	1035811	960922	1110515	1101861	9070	707120	1051738	907448	842351	566560	847224	1011143	872703	667375	1085355	936678	897375	1246468	1178918	1059053	1404399	909215	1067087	28951	1097501	1177024	781482	1042443	1176877	1350758	746909	1275000	572662	1058707	748365	16129	876005	998198	Phytochemical	0.21052632	1.1578947	0.0
22	C19 H22 O4	315.1591	315.15945	0.1396636	315.15912	892418	924895	735499	842780	822426	651717	485222	824777	654724	1213935	1082016	521396	730680	641344	625073	912387	723585	927235	820689	1550285	1619227	884396	649017	894900	610867	2048384	453797	1053477	864095	746911	698079	832855	959617	858558	1293542	863629	1002981	547090	716666	1109718	1176043	630695	53383	22290	15930	687604	667596	23297	866025	727952	869860	848931	703794	24370	691663	706065	498629	891409	585013	559920	881308	794019	735580	597756	392158	926213	744590	729120	1626057	2117728	2308174	759011	659875	648822	556292	773184	12173	522672	723275	641498	586223	476442	567607	824314	1418338	521654	771560	722969	710124	853864	855249	892950	970855	723767	950403	39559	744247	866762	631245	909730	862638	1026921	537736	898793	507076	790806	590491	14942	591502	821517	Phytochemical	0.21052632	1.1578947	0.0
8	C19 H22 O4	315.1591	315.15958	0.07182874	315.15912	29336	27356	22466	27091	15389	14436	26152	37266	17940	18861	21948	26218	13581	13988	27982	30281	34276	13194	20444	31145	22454	30677	28136	34749	24211	25846	26784	17114	28976	29856	27822	30583	28067	22916	26058	31223	27459	26984	37786	24742	24369	15725	6618	4741	5984	30570	28863	6061	26876	29576	23808	24710	16299	4649	20986	19738	22683	32894	22194	31133	30453	17170	14619	15573	13085	16834	14059	38452	31515	26186	34805	25962	26992	26979	22755	32009	5534	21783	32937	34107	31537	27578	30333	19887	20840	14290	32337	13045	16064	41153	22658	32251	32982	24246	24782	6831	31170	27923	17741	25003	27639	26328	27572	27823	19714	23425	16222	4521	31833	12065	Phytochemical	0.21052632	1.1578947	0.0
28	C19 H22 O4	315.1591	315.1595	0.14492352	315.15912	45058	39508	37053	37929	50833	32418	24414	46597	30852	38564	32262	26593	48846	37479	35219	49449	45729	41794	53144	45766	45137	44372	36571	55101	26525	52126	28090	34155	47138	51106	41308	46203	59341	41910	45476	58556	44995	26005	42693	31567	47651	36314	6922	5255	10857	30659	32293	6841	49063	47105	38006	41121	37807	10224	38369	37273	24229	57204	25200	23914	51233	25099	37970	32563	20819	52251	45203	46871	50393	53695	71488	40362	37751	42901	32604	41912	10190	29023	34505	30154	30438	20496	29709	24600	41127	21980	42396	39580	41069	46910	47802	42517	55463	29425	35985	6822	36722	45140	29456	52043	60615	53222	32340	45028	20723	43737	27059	5987	29193	36872	Phytochemical	0.21052632	1.1578947	0.0
22	C15 H23 N4 S1 Na1	315.16138	315.16165	-0.41710386	315.16125	5936	5066	3313	6716	13908	12532	3537	3673	3674	2341	2265	0	9987	0	3638	2417	4899	16365	10473	2854	9248	2433	2878	3909	5576	1628	10381	3881	8354	2582	0	0	3938	7665	3981	2387	4857	0	3691	0	2828	7306	0	0	357	4353	4726	0	5951	1851	3442	5632	11405	0	3769	4132	6529	4043	6411	4229	3354	2386	4517	2516	6046	22671	23834	5169	1800	0	0	2119	3340	3784	5178	2776	497	0	4498	8471	1188	4261	2814	2735	6141	7491	4743	7853	7059	7631	25009	21454	5066	2899	6326	0	3891	6192	5289	5048	8125	4239	2905	6920	4130	4856	6712	0	2379	10037	Organosulfur	0.0	1.5333333	0.26666668
0	C13 H22 O5 N4	315.1663	315.1669	-0.057101797	315.1663	7307	6124	8018	7136	6826	12710	4560	12232	7778	2851	2563	5189	9201	0	6446	0	10583	9285	10559	2305	4993	6600	9374	5330	6099	0	0	9559	16072	6084	8494	12177	21062	11409	3728	12895	12630	6587	12185	1891	3116	11653	0	0	0	1842	0	0	13454	5977	6461	7140	8601	0	7121	2820	3168	13520	3557	6261	4478	951	9174	7093	7537	11476	10628	16428	364	0	0	9683	16726	10718	0	15493	0	6638	5987	32487	6446	1291	4169	0	4792	5720	8552	7839	8682	11436	20157	13482	17941	3837	0	0	6446	6732	5766	3326	4663	7819	5542	3689	1507	14147	10531	0	5435	16272	Peptide	0.3846154	1.6923077	0.30769232
2	C13 H22 O5 N4	315.1663	315.16687	0.054132823	315.16632	10203	10744	11404	7880	5122	0	6815	11618	6538	2314	4299	7053	7727	3345	11244	7013	11027	6803	9627	2956	2755	12275	9136	13398	7534	0	3361	19824	10984	7936	10864	11984	13807	7951	3561	10606	13994	9214	13881	1938	2091	6315	0	0	0	3507	1720	0	11226	6731	9674	9833	6860	0	8063	3579	4311	17783	5647	3506	8658	1114	5584	6473	4587	7958	6234	16403	0	1253	652	8178	9110	8812	5085	7142	0	7389	9605	51158	8132	1265	2949	805	4832	4924	11796	8975	7409	35594	25351	13442	28660	5877	1828	0	9585	8429	2780	4457	4690	12402	7481	6507	42144	16064	3862	0	8267	9528	Peptide	0.3846154	1.6923077	0.30769232
4	C13 H22 O5 N4	315.1663	315.16687	0.07824119	315.16632	5340	4065	3839	3994	1769	4030	2747	4358	4000	1567	1980	3138	3054	1846	9154	5159	2848	3476	3627	0	1200	5310	5518	3475	3391	0	2472	6032	2813	2385	4301	2569	5795	1975	1095	3524	4630	6654	6210	0	730	3677	0	0	0	0	1064	0	3152	3040	2993	4279	2589	0	5420	1852	4224	3894	1451	1231	3486	0	2888	2653	3493	3593	3187	3297	0	0	0	2595	2458	2785	2529	1507	0	4122	3764	20674	4563	947	1255	0	3215	5428	5025	3322	3729	7236	21683	7268	10547	3856	2043	0	4430	3975	2192	2023	2719	5191	3845	1544	0	5211	2365	0	3938	4158	Peptide	0.3846154	1.6923077	0.30769232
10	C18 H22 O3 N2	315.17032	315.17078	0.07705624	315.17035	16083	17765	15055	14698	4210	10023	11975	18585	3125	42282	27159	10935	2218	5399	10453	25223	18156	6869	8735	47706	52676	17413	10116	26776	12496	48643	10697	29271	16748	19134	15949	17800	21664	13754	34338	14863	22048	8819	18287	30832	22412	8051	0	0	0	17360	23498	0	21681	14658	18127	19058	6360	0	2371	1677	4629	24805	0	8032	24182	12827	1991	3770	4372	6039	9138	26936	27592	52039	54491	19687	17150	11500	18113	19182	0	10454	13157	18988	12500	3403	3939	22713	2719	3084	12712	11741	10156	29779	20486	3448	38687	19489	39799	0	16974	17518	3307	1725	1710	21675	9994	13067	0	19778	1826	0	12537	3235	Phytochemical	0.16666667	1.2222222	0.11111111
12	C18 H22 O3 N2	315.17032	315.17078	0.095718674	315.17035	12027	11339	11834	12418	4110	4837	5438	15839	2559	24799	21336	7243	0	3524	9738	17351	18595	5473	4016	32083	38940	12780	5969	13867	10311	37514	7674	23636	12060	8638	11849	14208	18671	14012	22102	11213	15721	7114	18727	25160	25775	6486	0	0	0	10771	14424	0	12378	15527	10613	13617	6724	0	2261	0	3440	15726	0	0	0	9011	3168	3316	2758	2978	5653	20085	18023	39278	51280	14262	11094	10374	9873	10347	0	10526	10328	0	7046	4087	3055	15141	1834	1361	12375	10156	9720	27166	36578	9094	22729	16366	24499	0	12106	16018	3255	2186	1006	10414	8604	10647	0	16722	1577	0	10703	3678	Phytochemical	0.16666667	1.2222222	0.11111111
18	C18 H22 O3 N2	315.17032	315.17075	0.19983408	315.17038	16438	18010	12640	13316	12218	5744	9488	13680	7256	16560	19024	12402	5766	3174	10528	18434	23170	6078	4792	24948	13144	24574	8590	29824	10310	30444	13448	18770	15790	15348	11900	10050	20932	14184	11264	12408	19190	6506	23354	24610	46906	8290	0	0	0	9832	18438	0	18798	12988	13166	21694	7176	0	6798	0	6248	20286	4662	16366	24332	13676	0	5320	4790	4224	4766	22524	23244	35396	45560	14164	10274	11718	15314	15762	0	10380	13034	19272	7378	9750	10516	18408	3330	2298	15662	11100	9438	35056	24448	17874	26648	26972	29386	0	13156	15066	4230	3714	4944	10638	11354	21654	7372	14608	2304	0	11506	7430	Phytochemical	0.16666667	1.2222222	0.11111111
8	C18 H22 O3 N2	315.17032	315.1708	0.07258092	315.17035	22797	25293	19752	26729	4909	8468	15490	30795	5363	44260	28787	13294	3572	5210	13417	31658	26755	5858	9599	63149	58138	22228	16368	33872	16296	48974	15223	31618	25619	22642	24724	29829	29954	26644	51382	28070	28839	13097	25804	43370	27070	11805	0	0	0	22047	30613	0	35585	26256	23348	22278	10365	0	4287	1558	5210	28349	0	6187	41530	13999	2725	4264	4644	7474	9922	36377	31215	53990	62784	27949	26915	25018	24194	21890	0	17654	20429	37540	13490	4399	3748	29083	2406	0	20211	12478	13709	47945	40107	11986	39905	26641	53412	0	25997	21258	3016	1267	2400	26329	13821	23533	6851	28953	3850	0	16050	2682	Phytochemical	0.16666667	1.2222222	0.11111111
4	C18 H22 O3 N2	315.17032	315.1709	0.086922415	315.17035	12731	14400	12184	11054	3004	5274	8174	17348	2231	21100	10258	9270	2521	3488	11787	18207	18041	4555	6303	24849	27649	15595	9994	20874	10702	20414	9755	11484	14780	14363	13746	16395	16272	14403	24242	15618	15101	9618	21547	17744	16705	6607	0	0	0	13094	17534	0	15704	17222	14387	11908	4563	0	3564	986	3456	14470	865	4245	17275	11700	2286	2905	2319	4162	4580	19571	14948	18975	23684	14702	13864	16848	20204	14513	0	9861	12405	17901	10941	3505	3818	13790	2011	3161	9995	7307	5551	20265	19703	4894	22756	14830	29362	0	11696	13987	2348	1292	1453	14614	9493	16149	8310	15085	1183	0	11396	2292	Phytochemical	0.16666667	1.2222222	0.11111111
6	C18 H22 O3 N2	315.17032	315.17087	0.07645411	315.17035	23176	22794	19038	21182	5492	7895	16464	32713	5019	47684	23291	14848	3566	5381	17147	33034	26043	9221	12884	58060	57628	22772	17478	37427	19143	40146	16186	31350	27747	26406	26924	28974	32970	29327	41917	30929	29209	15177	30658	33604	24591	12613	0	0	0	24640	30527	0	35647	29155	23674	21417	8883	0	7072	3048	5008	30184	1168	10413	30421	19955	4236	4292	5914	6198	11586	44108	29946	48601	49321	28580	24975	24624	26952	24245	0	15451	19417	28412	15285	4595	4553	25636	2806	4350	16494	13795	13134	38851	31212	8263	42875	26567	55742	0	23677	21807	2771	2340	3683	32139	14779	28102	10936	27073	2767	0	15761	4387	Phytochemical	0.16666667	1.2222222	0.11111111
2	C18 H22 O3 N2	315.17032	315.1709	0.04146837	315.17032	11951	10351	12461	11001	1974	0	11538	21377	1671	13137	7991	10828	957	4307	11464	14193	15454	4190	5507	16958	20565	10909	10526	17449	9754	8652	6796	8379	20217	16492	16780	19308	16387	14378	14779	18801	17465	10475	16933	14409	15497	6496	0	0	0	9244	12316	0	19606	19830	11053	10958	3736	0	2161	1427	2425	15001	1238	2932	13044	7106	720	1516	2864	2199	5870	21444	7205	12140	11753	16493	17030	20934	15779	16956	0	12045	10241	16019	9192	3845	4428	11347	1087	2600	7505	4952	6063	19632	17023	7289	20366	12269	13744	0	11916	15059	1397	439	459	14871	9379	17353	6409	13888	545	0	11309	998	Phytochemical	0.16666667	1.2222222	0.11111111
14	C16 H26 O6	315.1802	315.18066	0.13523705	315.18027	25436	26675	25281	23616	19166	19157	86037	28300	12114	6323	5552	13707	26197	56216	18109	31096	34014	20324	19576	10038	5247	17355	21265	21012	24430	48899	68376	14397	32634	28311	18723	33149	29746	26506	9014	28893	23376	17279	36157	6414	9456	20075	3976	1245	779	11126	8078	1109	26893	18602	24209	21973	17893	1273	21648	16723	9947	38648	9815	14100	19829	3390	27392	12506	43194	20762	28026	33820	0	5884	5468	20678	26336	36301	23992	26775	739	19086	19653	18159	15164	12393	219816	158073	16959	13653	27972	14129	16211	32636	26999	22546	32585	7313	6439	2478	23288	26207	13365	23531	29757	32188	15277	21819	0	19512	17809	1305	23305	18168	Lipid	0.375	1.625	0.0
16	C16 H26 O6	315.1802	315.18066	0.18826084	315.18027	43329	40510	36341	34976	27476	22232	144432	38076	20311	11618	17382	37404	32092	77374	31743	45923	53691	33490	35749	23345	12637	20236	25487	34529	35863	59287	110842	19228	66102	74714	44998	66803	57957	54041	14287	61634	59167	21263	62441	5524	9539	25604	6033	831	980	18282	9671	858	89680	37181	38505	39552	26671	1615	27216	22653	21501	45095	13362	20160	51695	4997	43824	22322	60455	36855	46389	38728	4015	10545	6213	55843	54918	50196	84378	64626	1038	35689	25334	26338	16106	17456	352903	292491	25808	22668	32758	21536	36107	41166	42169	37137	40042	11415	16531	2966	37204	38144	17320	26456	40748	63917	27519	31824	8697	37853	22220	1150	22920	32156	Lipid	0.375	1.625	0.0
24	C16 H26 O6	315.1802	315.18063	0.35729706	315.18033	7630	7409	8074	6890	5699	6105	13970	8952	3431	4086	2385	6685	8017	6700	7852	3651	3992	5995	7679	1814	2083	3153	4877	4383	5157	0	13396	178575	7199	8266	5782	7485	10943	5339	3366	6908	7770	3967	5156	1531	0	3483	2863	0	0	2613	0	0	5744	8652	9045	8219	4723	0	8968	4906	3730	7040	5356	0	6540	1048	3084	6286	4133	9651	10784	5325	0	0	0	4172	5761	7000	3439	7509	0	6132	2195	43843	2442	1481	8975	3259	1966	5254	4743	2665	7391	4946	62775	42245	5156	5802	4768	0	8901	9295	2406	2233	2897	7026	7467	4561	11203	5960	2208	0	3511	6284	Lipid	0.375	1.625	0.0
12	C16 H26 O6	315.1802	315.18066	0.15209363	315.18027	17942	22346	20100	23000	8498	7396	42465	19979	7364	5905	3698	9232	9575	29709	13775	27215	19073	7332	13169	4500	3627	11510	10912	22532	14030	17968	38989	0	21740	19947	15766	15565	19105	11157	5850	19049	19024	10930	23042	2404	0	10195	2799	315	0	8215	4120	0	20626	19683	16631	24297	9810	330	7779	10414	5928	20923	5114	0	19295	0	15107	9383	21517	9632	12817	26402	0	4986	0	14247	16426	21004	26133	16894	0	11684	13088	0	11975	6058	86309	66058	11809	7701	22961	6169	8477	21329	13767	18054	20778	3200	8467	1412	18513	18623	6770	12668	17645	19207	8750	12795	0	15560	10405	503	15875	8087	Lipid	0.375	1.625	0.0
2	C15 H26 O5 N2	315.19144	315.19208	0.17784527	315.1915	34292	34899	31740	29585	25090	20510	18703	48710	17290	12876	5511	19650	27145	13807	27739	46759	49724	23178	23984	20003	13709	31392	25199	44896	25875	1180	17088	7443	55078	41387	45183	53078	54845	42098	19763	51636	49519	21480	55289	11621	6292	14853	0	0	0	14239	6293	0	54125	35523	27421	31483	21674	0	20632	6011	7207	58852	10893	4527	41540	4996	14535	15047	7258	18853	21244	59862	1624	5484	3482	33833	38626	46316	18623	38323	0	21832	20119	10732	14268	4997	7598	3138	8104	13393	32850	18152	25670	56294	40746	41493	89631	7476	10468	0	32113	31727	9338	7435	9420	42642	20480	31085	4921	40779	18024	0	18466	26196	Peptide	0.33333334	1.7333333	0.13333334
12	C15 H26 O5 N2	315.19144	315.19193	0.2483497	315.19153	4639	3842	7787	6493	6590	4361	4205	4659	3871	1721	0	3944	4210	1402	3138	11736	5841	5349	6175	0	2295	7355	5317	10356	6858	0	4028	0	5250	3765	4919	6178	7319	6040	1489	5090	8106	2023	8300	0	0	2133	0	0	0	3842	0	0	4249	3413	3948	4434	3761	0	4230	1663	1907	10041	0	0	0	0	2503	3522	1820	7552	3173	0	0	0	0	2842	6160	3251	5016	5629	0	3329	5179	0	3914	1158	2165	949	1339	1902	12444	3833	3625	18446	24730	12325	22156	0	1766	0	4576	6703	1882	1797	1989	6709	2429	3024	0	8799	4038	0	7450	8222	Peptide	0.33333334	1.7333333	0.13333334
14	C15 H26 O5 N2	315.19144	315.1919	0.29724526	315.19153	8313	5649	6286	6858	2624	1506	33924	12976	1829	0	0	4703	3550	2961	3167	16551	12170	2268	2505	0	1856	4744	2841	9578	7388	0	34797	0	9210	9638	3627	10521	7153	7965	0	7528	7509	5951	16511	0	0	2014	0	0	0	0	0	0	7238	12307	9891	6278	3622	0	1693	1233	1767	24390	0	0	0	0	3980	0	1385	3868	2776	7365	0	0	0	9050	7203	6282	22415	5482	0	5568	6974	0	3146	1765	1881	0	2541	0	11701	3895	2525	24378	121892	57314	18620	0	1521	0	8877	8096	2197	2351	3729	4149	4795	2188	0	9976	2232	0	9469	1653	Peptide	0.33333334	1.7333333	0.13333334
10	C15 H26 O5 N2	315.19144	315.19193	0.21525359	315.19153	11994	12544	11377	10829	4683	4526	9343	13099	2193	2145	1213	5512	5975	3828	15101	39549	3712	7411	5609	4117	1936	29625	15065	58515	121665	0	8341	0	7261	6225	8296	9074	12993	10423	2345	7704	15372	10288	4829	2027	0	3252	0	0	0	12900	1974	0	7190	6423	14879	11718	5335	0	6983	3151	1881	45794	0	1489	45983	1181	5644	3338	1941	7873	5465	6808	0	4058	0	7431	7066	6397	5098	6220	0	7534	27016	8200	12102	7538	4333	1087	2979	3813	27212	3917	5269	21491	156533	78607	92676	3165	5818	0	12237	10605	3025	3271	2412	10496	6225	5197	0	38922	3671	0	44041	5100	Peptide	0.33333334	1.7333333	0.13333334
8	C15 H26 O5 N2	315.19144	315.19196	0.17968078	315.1915	17137	14670	17229	14049	7184	5379	30720	11623	6908	6511	8249	29869	13801	4496	16442	33863	18252	8981	13325	6929	5771	14252	24347	23220	11644	503	29020	4893	8462	12957	10866	15181	13980	15523	9515	10689	15648	33413	24302	4646	1608	6457	0	0	0	8496	4120	0	19074	17749	13614	14414	5618	0	8374	4951	7120	25528	2040	1741	26404	1101	8902	6929	6542	11419	7801	31443	0	2781	0	14658	13141	6850	18749	12888	0	19684	35204	9080	37820	3408	2947	1736	6200	5216	32889	8033	7664	32363	46090	33883	32894	4542	3847	0	17299	15660	4536	5970	8238	11171	24368	6446	0	13127	4034	0	32675	11069	Peptide	0.33333334	1.7333333	0.13333334
6	C15 H26 O5 N2	315.19144	315.19202	0.22354954	315.19153	14063	15813	15624	16803	11961	9551	10927	21474	10656	6251	2657	11631	18375	11604	30848	34527	11125	16170	24936	8985	6741	19009	18042	21327	23176	0	9399	3726	22007	14378	14924	19189	21501	15774	9240	17855	20274	18024	11877	4598	2158	7616	0	0	0	8523	3528	0	18429	16025	18230	15686	9442	0	16830	8744	4815	33350	3539	2125	29759	1660	19039	7715	3549	14506	11908	14461	0	4910	3235	12923	13342	10373	7357	12540	0	19857	13371	8411	8116	2668	5037	1423	9298	13585	20508	10503	12385	35472	36386	40175	45023	3471	6230	0	15631	16329	5944	12015	11310	21627	14690	9946	0	20615	9816	0	12906	16170	Peptide	0.33333334	1.7333333	0.13333334
14	C20 H26 O3	315.19547	315.19595	0.17862946	315.19553	37854	34113	38848	42357	23976	18562	51052	52805	25052	15447	16367	36897	13291	44665	38783	49754	79291	11898	19888	21999	19243	36808	28396	41318	39230	23748	57632	17175	28818	41258	31705	36422	32953	23859	17886	40908	32054	35485	85739	17769	28704	20571	0	1865	1800	17896	33257	2815	34635	38610	38184	34142	20750	2171	23471	23855	23686	56712	25473	38946	45017	13519	20281	20268	20021	15526	21737	87965	14386	21870	35547	20329	23377	39721	63161	38894	1361	28635	59149	23589	52828	28484	41101	20349	39873	20039	65014	18810	19068	140798	44509	39467	67736	22316	27064	2448	37246	35506	25244	50410	55040	35638	32728	33630	0	33542	26570	1831	60626	11853	Phytochemical	0.15	1.3	0.0
12	C20 H26 O3	315.19547	315.19598	0.22276033	315.19556	20784	26342	18852	19088	5641	8090	17116	12474	6294	6970	8827	11266	3023	7571	9147	22280	22443	4891	7443	9442	1784	16168	10750	20104	14276	7028	34813	0	9228	17138	12162	15902	15005	12347	5378	14468	12800	14456	24930	6650	6732	8629	2533	1544	1843	8822	11815	2482	16468	20145	18350	18382	7033	1479	10336	8313	8465	23653	8855	11753	0	5494	6296	6325	7334	2589	5498	33916	0	6595	12058	8176	10158	16652	35241	16725	1332	9439	18673	0	15912	12220	12354	4364	10268	8360	16513	5854	4142	43329	16701	16437	23745	7543	16029	1757	16817	18521	8745	15004	16664	15031	11231	15055	0	16430	9524	1557	18429	3190	Phytochemical	0.15	1.3	0.0
22	C20 H26 O3	315.19547	315.19586	0.18589674	315.19553	893610	996188	809862	905935	761026	571917	804400	1140892	562174	726584	779229	743590	514914	625023	823226	1292898	1621403	652294	731592	948200	987118	879747	714115	1007017	875530	1667688	815679	701541	1081479	1065535	872630	1164444	1253031	987824	765324	1262222	1176850	785310	1565390	727369	1003858	645526	28522	8243	5130	560739	725098	12702	1001632	1072826	908328	881832	647210	10731	672467	683960	565203	1184783	549233	807878	1141383	492059	575115	563894	452855	698060	681230	1593774	1176019	1405420	1756902	745985	806717	981712	1436127	1073311	4471	640015	997065	739679	811499	484195	737561	610734	798939	640202	1151179	730888	720384	1962154	1039450	979036	1303323	650970	864280	13027	805083	970392	737267	1059049	1020116	1917324	735564	926240	429250	1017186	695647	9880	990231	567494	Phytochemical	0.15	1.3	0.0
18	C20 H26 O3	315.19547	315.1959	0.1966229	315.19553	263949	269986	240349	217148	169669	130307	278763	277721	125424	171035	180606	205528	137002	151239	207668	357562	558863	140203	224882	207207	219157	219954	199079	292642	223523	332454	304632	170991	236620	243328	190603	258076	276436	207386	180999	271364	244792	222168	579678	155278	219093	155260	7899	3146	2904	135571	186392	3919	252096	252587	248260	230290	159390	3415	183350	193105	160662	324577	133538	247443	262506	103333	153964	145121	144168	158084	172279	603245	255697	259785	402240	140953	155162	224522	522719	270643	1843	157371	333386	209532	263293	142141	214579	150996	232545	200149	385229	149190	176797	759857	256075	247841	379895	153029	194663	3645	245660	226647	177909	329474	376641	308962	174551	208053	105065	238146	167356	3165	326029	116209	Phytochemical	0.15	1.3	0.0
28	C20 H26 O3	315.19547	315.1959	0.19001386	315.19553	92247	76385	78855	79784	72839	37026	76265	88611	49206	33350	39920	42682	68990	60550	90629	82984	87865	51357	80821	47725	47689	52167	70196	69306	170211	63348	69296	48090	84178	87064	67061	88263	88049	51265	48376	114184	71171	128645	83802	38367	38165	58713	9388	7590	15950	39479	35166	9553	70068	76554	78501	79508	59767	16111	65652	93682	42023	89184	47526	34954	84539	27402	50574	50896	45342	64789	68431	112107	54063	54087	56034	39722	46711	83950	71551	74326	12354	47667	386961	78921	189896	69714	54971	39765	109804	49304	612184	40518	45789	399062	67144	71345	112472	47716	44841	9353	79611	81275	60736	173921	202783	110362	52405	63091	40652	81993	74074	8467	307903	40833	Phytochemical	0.15	1.3	0.0
4	C20 H26 O3	315.19547	315.1961	0.15934797	315.19553	73355	88619	86308	86600	45070	75957	240207	114433	45035	27341	23608	51140	44959	4410	118196	142316	18836	99430	70983	32513	23054	38091	49988	95532	113421	3150	161426	39435	225119	107474	157337	196821	329888	134263	59227	160255	232869	110616	25080	8330	5482	44562	3946	2880	3214	25591	7643	5284	153979	83289	79994	89186	88544	3094	56481	23125	30568	202632	8045	3405	144626	4318	49550	37061	28118	84731	54259	26373	4666	21391	19581	94327	123979	112556	91345	127592	2308	95611	44072	5744	45994	10628	11506	4027	32449	62689	76532	78722	76035	27186	43076	42745	87919	6441	7482	6154	81783	96844	30521	24987	22815	280663	81607	21079	4505	112048	32723	3424	83454	59604	Phytochemical	0.15	1.3	0.0
2	C14 H26 O4 N4	315.20267	315.2033	0.17847545	315.20273	3067	3591	2169	2657	1425	0	1298	2765	768	907	1782	1676	1143	522	3124	3093	1820	1163	1213	594	380	3318	1845	6682	3225	0	0	14307	4000	2738	2338	2837	3505	1531	1169	3029	3075	1817	2066	0	0	0	0	0	0	631	383	0	3241	2821	2425	2501	689	0	710	0	611	3999	0	0	4345	0	702	662	0	1547	1777	2976	0	302	0	2537	1708	3264	1787	2002	0	2355	2876	22625	1571	0	0	0	465	907	3131	1045	1931	6806	17825	11381	6918	2126	804	0	2309	4204	783	491	513	2675	2143	772	274	4373	530	0	2422	1980	Peptide	0.2857143	1.8571428	0.2857143
10	C14 H26 O4 N4	315.20267	315.20312	0.4806689	315.20282	0	1068	0	0	0	3341	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8871	0	0	0	0	0	0	0	0	0	0	28626	0	0	2197	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.8571428	0.2857143
6	C14 H26 O4 N4	315.20267	315.20316	0.13981722	315.20273	767	1154	0	1427	0	3556	0	1229	0	0	0	595	0	0	770	2512	0	0	0	0	0	0	782	2178	1151	0	0	49490	850	979	1234	882	2286	937	0	1351	3309	1213	1272	0	0	829	0	0	0	0	0	0	0	995	1447	1237	0	0	0	0	0	1292	0	0	1185	0	0	0	0	0	0	0	0	0	0	785	768	910	0	573	0	814	0	44067	0	0	0	0	0	0	748	0	605	1508	32854	3874	1748	1905	0	0	896	0	0	0	0	1263	828	0	0	1560	0	0	696	0	Peptide	0.2857143	1.8571428	0.2857143
8	C14 H26 O4 N4	315.20267	315.2031	0.3851549	315.2028	0	991	995	0	0	3495	0	0	0	0	0	0	0	0	0	0	867	0	0	0	0	0	0	0	0	0	0	15190	0	0	0	0	0	0	0	0	0	0	0	0	0	660	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22931	0	0	0	0	0	0	0	0	0	1360	46371	0	0	1897	0	0	0	0	0	0	0	0	708	0	0	0	0	0	657	0	Peptide	0.2857143	1.8571428	0.2857143
8	C17 H27 O2 N2 Na1	315.20428	315.20453	-0.5774833	315.2041	0	0	0	0	0	0	5940	0	0	0	29964	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1327	24749	0	0	0	0	0	0	0	0	0	0	915	0	0	0	0	0	0	0	0	0	0	0	0	1240	0	0	0	0	0	2571	0	0	0	0	0	0	0	29208	0	0	0	27135	0	2096	0	0	0	1074	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	972	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.11764706	1.5882353	0.11764706
24	C16 H30 O2 N2 S1	315.21008	315.21045	-0.06725111	315.21005	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3904	0	0	0	0	0	2424	0	24940	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3502	0	0	0	0	0	0	0	0	0	0	0	1260	0	0	4218	0	0	0	0	0	0	0	0	0	0	1315	0	0	0	0	0	0	1071	0	1491	0	0	0	0	0	0	0	0	6092	0	0	4888	0	0	0	0	0	0	0	0	0	0	0	0	1811	0	0	0	0	Organosulfur	0.125	1.875	0.125
22	C17 H30 O5	315.2166	315.21704	0.24597527	315.21667	10880	9577	12135	9758	9571	6147	185773	4864	1436	3190	4202	1357	2640	204930	2681	4564	3835	0	2680	2269	0	3233	0	2448	2851	20107	157299	30788	4552	6421	1550	0	3467	5379	0	4777	4113	3236	6119	2093	1808	2297	9633	0	378	1719	3213	0	7284	4339	10517	8741	4629	2675	2401	3113	2488	3213	2629	6086	11730	982	42839	0	75151	14803	17637	2100	0	2914	3899	2975	2623	6069	3037	2778	446	1527	0	124353	0	8274	127016	110064	2384	3894	3483	4912	3256	4723	116560	76631	2269	14627	2644	0	9881	13785	4276	0	1949	5351	0	4990	11076	4426	7012	0	2736	7836	Lipid	0.29411766	1.7647059	0.0
20	C17 H30 O5	315.2166	315.21692	0.30428416	315.2167	2393	2154	1581	2057	0	1519	50568	0	0	0	0	0	0	26905	0	0	3387	0	0	0	0	0	0	0	0	7154	46531	7022	1603	0	0	2868	0	2179	0	1310	1553	1411	3321	0	2122	1768	3143	0	0	0	0	0	0	0	2218	2849	0	648	0	0	1752	0	0	3136	2304	0	6381	0	19063	3728	5125	2623	0	0	0	0	2001	0	0	1692	0	0	0	42992	0	1945	62458	46625	1387	0	1626	2136	1461	1854	29696	15697	0	1261	0	595	3136	2939	2023	0	1836	0	0	0	1626	0	0	0	0	0	Lipid	0.29411766	1.7647059	0.0
26	C17 H30 O5	315.2166	315.21674	0.27694693	315.21667	6065	0	2325	3157	0	0	11338	0	0	0	6776	0	0	3802	0	0	0	0	0	0	0	0	0	0	0	0	8123	23130	0	0	0	0	2396	0	0	0	1892	3624	0	0	0	0	0	0	0	0	0	0	0	0	2697	2274	0	0	0	0	0	1703	2675	0	0	0	0	0	9194	0	2964	0	0	0	0	0	0	0	0	0	0	0	0	31667	0	3976	4764	2315	0	0	0	0	0	2994	50251	47471	0	5717	0	0	2307	0	0	0	0	0	0	0	10709	0	0	0	0	0	Lipid	0.29411766	1.7647059	0.0
24	C17 H30 O5	315.2166	315.21698	0.17851682	315.21664	14754	15116	14611	16228	11007	11661	109979	6357	2756	5521	13539	829	4648	102087	4045	5849	3915	1760	3926	4193	2453	4282	2366	3405	3689	8711	81439	82333	8160	4105	3306	8694	8051	5870	4989	6101	5990	6858	4197	2082	1939	7114	18334	0	0	4499	9976	0	10939	6563	12264	12587	7622	8798	3046	1617	5205	5431	5549	7524	12802	3634	26987	1679	37044	19336	24283	6641	2117	4064	5123	5691	5880	6951	3900	6211	0	2502	2841	190628	2181	25192	65310	52665	2588	8312	3607	5083	8090	4040	212600	150903	4624	21059	9511	2933	15587	19192	8309	1657	4806	4413	2335	8827	44236	6959	2134	0	4614	10025	Lipid	0.29411766	1.7647059	0.0
2	C16 H30 O4 N2	315.22784	315.22833	0.15753473	315.22787	0	975	1226	550	596	0	1293	729	0	0	0	888	0	587	1003	1277	936	511	497	0	0	509	0	0	1024	0	0	0	2590	779	2920	1542	6690	1304	0	452	6170	607	980	0	0	0	0	0	0	0	0	0	4097	697	1222	866	396	0	0	0	0	1591	0	0	981	0	0	0	0	0	376	1630	0	235	0	1239	0	848	7259	444	0	464	480	31838	321	0	0	0	0	349	2128	0	0	4176	3034	1627	1722	2605	358	0	1123	712	0	0	0	4914	652	341	0	609	0	0	686	0	Lipid	0.25	1.875	0.125
6	C16 H30 O4 N2	315.22784	315.22836	0.28704715	315.22794	2073	2019	2256	1698	3035	824	3007	1543	1029	0	0	678	2155	1104	880	2878	1630	0	735	0	0	1144	749	1976	1449	0	2871	0	2215	1801	5766	1736	3592	990	0	1363	4755	493	1248	0	0	608	0	0	0	0	0	0	3104	900	2220	2932	1177	0	570	0	365	4395	0	0	3304	0	927	0	0	2097	0	0	0	0	0	861	974	2057	1498	1358	0	826	802	287398	505	0	0	0	0	0	6527	859	0	5699	8504	2476	3181	28345	0	0	1760	3064	589	0	0	4623	931	0	0	2911	448	0	2050	2054	Lipid	0.25	1.875	0.125
22	C21 H30 O2	315.23184	315.23227	0.18888126	315.2319	42059	48259	35276	41269	34466	17698	99259	49150	21659	18505	31425	30495	13485	29773	36969	58766	123367	25444	37630	26923	24838	29824	33487	30602	59254	56633	95388	40008	44704	53712	32814	52332	44560	34462	22824	62187	47934	48181	125751	19341	40538	32048	0	0	0	17049	33365	0	45682	44412	47319	38584	37502	0	23294	28676	30121	57483	27349	40548	50664	18203	21492	19259	34513	28787	46737	115445	33796	34205	53073	26105	36781	57286	95208	52200	292	26849	60573	43856	34784	22937	55775	40629	37303	42733	90287	29184	38440	152337	47758	50204	63337	26417	24701	0	34561	47084	27754	42570	40095	64657	33733	33924	18152	46157	31633	0	60842	14527	Lipid	0.0952381	1.4285715	0.0
20	C21 H30 O2	315.23184	315.2323	0.27681854	315.23193	8594	7687	12311	12318	4592	4008	22713	11521	3925	0	5019	8662	3804	9991	11248	21041	43006	2680	6301	6465	4565	11193	6881	6972	12025	2869	34562	6150	10639	11066	8096	9043	12074	8751	3413	15267	9976	9027	40098	0	6751	6581	480	0	0	4534	4244	0	11649	11294	8151	11966	8828	0	6290	6538	9529	16779	3063	11852	11591	1226	3984	2528	9323	6158	10515	42851	2409	5878	7298	3403	8017	16173	31508	11693	0	7577	17635	8795	9790	4576	17543	11073	9870	11477	28102	7530	7969	67166	13553	9572	11821	3979	5633	0	11468	9579	7514	13699	15403	14669	10570	6385	3233	7954	10295	0	19100	3988	Lipid	0.0952381	1.4285715	0.0
24	C21 H30 O2	315.23184	315.23224	0.17800559	315.2319	110004	118352	97387	109280	83945	53101	180023	108066	61113	71059	107028	70755	52374	93721	132957	163581	246053	64099	111160	82878	74895	104977	74964	97523	135521	188233	198434	120468	110513	114215	84360	130709	118703	82958	79279	142103	105937	118535	229072	72256	103915	91799	2991	0	0	63062	78020	0	111488	116864	109064	117406	86878	0	78195	74363	76164	172317	61695	83022	134281	44517	60367	53286	87361	83075	131051	236282	122501	116621	173073	59881	81511	123354	174288	125216	0	65619	128041	152140	81312	76380	112099	100671	88311	79818	224031	77624	108285	441187	169061	153240	178960	96848	105301	0	106311	119891	71085	79975	97513	158586	69437	102624	56669	109263	77611	0	143866	45827	Lipid	0.0952381	1.4285715	0.0
28	C21 H30 O2	315.23184	315.23227	0.19057404	315.2319	31700	26988	27586	27475	24090	16633	43384	40480	25147	14267	32953	17141	17409	25814	42255	32151	35578	19382	37478	20630	18032	31007	26017	23256	58211	56664	41447	53005	49358	42879	32031	39119	37609	22626	23048	56396	27546	50099	33559	19446	22507	47145	3854	3280	7368	21684	15279	4149	32946	38163	29470	29123	26929	6360	29963	29396	28150	41932	27431	14921	34473	18836	14783	19312	21535	31295	47961	41243	48397	22461	26269	14828	24525	47310	25580	33448	5407	21590	38678	53858	22141	22840	32910	28669	38242	26302	91658	19832	24828	57630	45195	46667	38337	41967	21662	3346	29667	28054	25762	40378	52985	53041	19591	32778	28425	32295	36495	4070	40378	15081	Lipid	0.0952381	1.4285715	0.0
12	C15 H30 O3 N4	315.23907	315.23944	0.05110967	315.23907	0	1416	0	0	0	0	0	10304	0	0	0	10790	0	0	0	10491	8026	0	0	0	0	0	0	0	15745	0	0	0	2150	9561	14611	0	1658	1708	0	1826	0	1273	7232	0	0	0	0	0	0	0	0	0	2467	3327	0	0	0	0	0	0	0	7504	0	0	0	0	0	0	0	0	0	9035	0	0	0	8877	0	3389	1951	5058	0	7043	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8707	0	0	1390	0	0	28685	0	Peptide	0.2	2.0	0.26666668
2	C15 H30 O3 N4	315.23907	315.2396	0.11441745	315.2391	4513	4868	3781	5557	0	0	51876	5816	0	615	3259	11859	0	0	7175	13266	30345	0	0	0	0	3609	1790	13540	5408	0	43391	8531	20942	6768	5267	2999	4450	3939	0	3170	3215	7763	37216	0	0	0	0	0	0	1097	0	0	3372	3019	3987	5202	0	0	0	0	0	6539	0	0	8348	0	0	0	0	0	0	37053	0	232	439	3183	2312	1269	32274	5317	0	7348	1711	0	1567	0	0	0	0	0	1127	402	0	11499	8946	3484	21877	756	0	0	4599	4186	0	0	0	7720	11357	0	0	12458	0	0	4097	0	Peptide	0.2	2.0	0.26666668
22	C18 H34 O4	315.253	315.2532	0.19856331	315.25305	0	5122	2528	2727	0	0	17640	0	0	0	4280	0	0	5345	0	0	0	0	0	0	0	0	0	0	0	0	16923	17434	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	633	0	0	0	0	0	3250	4009	0	1027	0	0	0	0	0	0	0	0	0	0	4298	0	0	0	0	0	0	0	0	0	0	0	410	0	0	495925	0	0	6312	6867	0	0	0	0	0	0	87120	48902	0	30757	4049	0	2214	3136	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22222222	1.8888888	0.0
26	C18 H34 O4	315.253	315.2533	0.17396088	315.25305	6813	4834	8958	5936	3245	4675	83565	0	2101	2066	25891	3152	0	23756	6623	0	0	0	0	0	5131	2423	0	0	0	7488	72521	84736	0	0	2650	0	4550	0	1890	0	1538	7283	7108	2834	4228	0	6478	5392	0	0	6724	6150	2736	0	6756	7778	0	0	0	0	5877	2796	3329	7609	4882	4395	9914	2397	32279	2663	4072	6090	0	2624	3629	0	3308	0	6439	3099	0	4148	2151	154901	0	5060	15036	14950	6740	0	4179	4621	0	5615	44332	32316	0	15958	0	5488	6854	9295	3761	4878	30336	0	3076	0	8734	3027	9970	0	6355	3742	Lipid	0.22222222	1.8888888	0.0
24	C18 H34 O4	315.253	315.25327	0.22661448	315.25305	5920	5339	6986	5988	882	1625	175555	0	1216	1309	8234	0	0	51196	0	0	1942	0	0	0	0	0	0	0	0	8071	170516	33966	0	0	0	0	0	0	0	0	0	1148	3092	938	4842	2743	6549	0	0	0	5725	0	1652	0	5704	4170	1372	0	1259	1157	2102	0	970	5835	3180	1094	12082	0	46416	0	2521	2520	0	0	4986	926	0	0	0	1164	0	1341	0	88818	0	5812	32873	37278	0	0	0	1766	1141	0	47170	27235	0	11071	1871	1950	7301	9351	2324	0	3137	0	758	2381	0	1630	0	0	1068	4235	Lipid	0.22222222	1.8888888	0.0
20	C17 H34 O3 N2	315.26422	315.2646	0.262598	315.2643	4019	3341	3844	2416	1460	0	1312	5568	5284	0	2818	2199	0	2718	0	4517	0	0	0	0	0	0	0	0	0	4000	0	3397	2060	1810	2951	14405	8624	3378	0	1616	1599	0	3887	26674	1867	10525	14727	4062	1861	0	4394	934	2103	4886	2718	1805	1686	34325	3943	0	1161	0	0	3674	1772	0	5324	5681	1178	1974	0	5194	0	0	0	2052	1817	2049	4476	0	1774	1212	2133	2972	0	0	0	0	0	0	0	5307	4657	13924	6540	0	0	0	0	7356	2060	2683	259351	0	0	7315	5392	2220	0	6349	0	894	0	0	Lipid	0.1764706	2.0	0.11764706
26	C22 H34 O1	315.26825	315.2685	0.22288553	315.2683	3048	2323	0	2653	0	0	19631	0	0	0	3050	0	0	5065	0	0	9203	0	0	0	0	0	0	0	0	0	20592	10120	0	6971	0	6960	2472	2252	0	8980	1892	6453	9166	0	0	0	0	0	0	0	0	0	3421	0	4620	3923	2801	0	0	0	0	4707	0	4129	4312	0	0	0	5760	1772	6914	11819	0	0	2283	0	0	0	12553	4235	0	0	11870	6651	4064	4633	2987	3019	0	0	45797	0	0	25874	5680	3427	0	2135	0	0	3797	5059	0	0	0	0	0	0	0	2347	0	0	7329	0	Lipid	0.045454547	1.5454545	0.0
10	C12 H13 O9 N1	316.0663	316.067	0.36452237	316.06644	2323	0	1498	1308	7236	2426	0	0	7887	0	2477	1529	13502	0	988	2036	1544	7357	5984	0	0	0	1821	0	0	0	0	0	0	0	0	0	1272	0	0	0	0	0	0	0	1483	2305	0	0	0	0	0	0	0	0	2455	0	3320	0	8526	8394	1767	1419	0	0	0	0	16133	11787	2410	5479	2867	2511	0	0	0	0	0	0	1934	857	0	0	1492	0	0	0	0	0	4965	1448	0	3616	3837	1600	0	0	0	0	0	0	1483	0	5892	6835	4560	0	798	0	0	0	3422	0	0	22138	Phytochemical	0.75	1.0833334	0.083333336
22	C16 H13 O6 N1	316.08157	316.08203	0.26272443	316.08163	5169	7887	10181	6121	4332	5267	1882	4266	3537	19467	17852	4785	4304	0	6046	7901	5869	5397	6029	4397	13776	34314	3586	5572	6021	5103	2189	8745	3271	2476	3442	0	6732	4280	15068	2896	4693	2431	5612	11533	28497	6325	0	0	940	8612	23285	0	4625	5183	10835	8632	3449	848	4656	4433	5431	4343	3261	8033	6597	11232	6301	3460	3924	8879	5123	7624	10037	3526	19423	2531	2070	1558	1949	1747	1737	3944	6101	33860	5148	9193	4498	10319	7230	5030	9349	7615	5647	16615	7048	6254	11944	44882	36837	0	5499	7997	3472	3966	3008	5007	4638	7590	6961	8487	1991	0	4692	12956	Phytochemical	0.375	0.8125	0.0625
12	C13 H17 O6 N1 S1	316.08493	316.08545	0.2921674	316.08502	10458	17991	10691	14158	12683	8426	3557	3027	9916	26979	10759	2634	11121	4654	5693	7956	8522	17211	16135	16701	19147	45056	5162	7272	4944	7192	3626	8195	4628	2796	3353	6023	7464	6069	26161	4031	7528	6485	7226	37340	23974	5932	0	0	0	21023	17424	0	8326	4821	11344	13510	8664	0	11349	9135	2818	5953	18644	12226	0	24497	12597	7781	3667	13433	6245	5569	0	20092	15707	1654	1659	1894	4763	2262	0	2662	3144	0	1468	13165	10631	15932	7978	5588	8756	6331	7010	6663	46155	70350	10019	25858	43006	0	14908	14849	6312	11745	12001	7845	3567	17117	0	6897	9589	0	3583	21286	Organosulfur	0.46153846	1.3076923	0.07692308
10	C13 H17 O6 N1 S1	316.08493	316.08548	0.2946356	316.08502	10811	9952	8766	10498	11421	5272	3374	4959	13129	19668	10419	2581	14142	5247	3905	5757	7125	14963	13103	13117	22117	33543	3897	8835	4421	8910	4993	5327	4453	1787	4865	3682	7794	4147	21574	3146	7183	3901	8030	20985	34206	3873	0	0	0	14790	21905	0	6191	2638	11578	9517	7124	0	8919	7559	3343	10740	18987	19543	10721	20653	10439	9269	4403	9726	7701	6366	9299	13193	12647	2836	2040	1537	4536	4718	0	2444	4414	13170	3552	13348	11470	10353	7280	3232	8470	8060	7947	9377	20631	37630	14510	26768	42063	0	9608	11301	5979	9595	7826	6983	4215	15018	0	11882	10784	0	5805	18213	Organosulfur	0.46153846	1.3076923	0.07692308
14	C13 H17 O6 N1 S1	316.08493	316.08545	0.29525748	316.08502	8448	8173	9949	11900	11133	11718	4102	5925	8802	12998	6390	2097	18420	4300	4922	6582	6461	13037	9857	9262	11374	24928	3385	10476	8085	3510	2256	0	5244	3897	2963	0	8823	6106	17587	4190	8957	3876	5193	24156	19981	7905	0	0	0	10172	13454	0	5196	3963	13586	12342	14521	0	8359	10341	3621	9546	13604	15060	0	14628	8993	8801	3716	11427	4704	5168	0	8568	6679	2701	2735	2280	2610	3550	0	1946	4143	0	3372	9180	12304	12898	8136	4923	7320	10133	8145	9654	35672	51792	15977	19481	32753	0	7346	9663	6568	9617	7885	5414	4275	14910	0	6766	5698	0	5463	13373	Organosulfur	0.46153846	1.3076923	0.07692308
2	C13 H17 O8 N1	316.1027	316.1034	0.31241286	316.10278	7000	8794	8486	7733	15897	0	2467	8615	14030	6550	5447	5189	29611	6676	3956	1222	4107	21855	20595	6611	14689	14663	6858	6188	1915	583	0	0	10980	3649	9484	6991	17658	9534	11832	6647	9845	3614	3225	8416	4776	10120	0	0	284	4562	2681	0	6020	4856	9788	8104	14343	260	19167	10446	4841	10137	4310	3365	2617	2743	40564	22708	4366	24896	14149	4354	1116	2555	1729	8980	9416	6699	410	7014	0	5778	4041	0	3493	1858	2195	1210	8217	5534	3632	12565	14293	3733	5558	7175	12678	3159	1222	0	9270	8492	6393	10841	10359	8157	4189	6042	1588	10393	7095	0	2366	46588	Phytochemical	0.61538464	1.3076923	0.07692308
18	C14 H21 O5 N1 S1	316.1213	316.1218	0.30031574	316.12143	3297	5366	4409	5189	4328	1695	1146	3926	0	6797	6336	2380	2210	2033	3533	4039	3744	3017	4076	13805	9237	14057	2383	4399	2370	3869	2879	6694	0	1843	2453	2764	1734	0	8793	0	3294	2309	2623	8239	9101	2171	0	0	0	10724	12631	0	2694	1702	7791	6217	0	0	1762	2902	1816	4270	5164	5902	1985	11635	0	1883	1538	2112	2143	4005	4423	1691	5205	0	1542	0	1950	0	0	1122	1895	9114	1863	8441	3436	3029	2309	1937	8996	3792	3542	7410	32813	41155	6134	16948	22736	0	5044	5987	1922	2348	0	5252	0	10831	8114	4303	2364	0	3711	4736	Organosulfur	0.35714287	1.5	0.071428575
16	C14 H21 O5 N1 S1	316.1213	316.12183	0.27585056	316.1214	5921	8222	3414	6228	5790	4238	1864	1750	2532	11657	3420	1073	3330	3298	2640	3753	5354	7581	2298	14879	11208	16234	2444	5849	3622	7628	2600	5346	3069	3401	1714	0	4657	2190	10799	2427	8266	1108	3594	13278	14755	2192	0	0	0	16365	9793	0	3048	1399	7058	6386	4303	0	3062	3301	1597	5443	9061	10309	0	7295	2333	4010	2362	4341	3096	7095	4614	7843	5927	2067	2354	1857	3222	0	0	1142	3720	9456	2550	9026	6407	6017	2415	2615	3878	4928	4716	0	33731	33991	0	15143	27027	0	12640	9756	4259	0	4878	4364	1775	9314	6367	0	5639	0	3968	4153	Organosulfur	0.35714287	1.5	0.071428575
22	C14 H21 O5 N1 S1	316.1213	316.12173	0.33504996	316.12143	1463	0	2795	1710	4392	1354	3987	7206	1577	0	0	3441	0	9357	19545	2504	18361	0	2004	0	0	0	0	1317	8765	0	5231	0	1859	8630	3040	0	0	1223	0	2398	0	13426	10355	0	0	6395	0	0	0	0	0	0	1347	15367	1576	3257	0	0	0	0	3676	1871	0	3116	0	0	0	0	6182	1900	2591	8081	0	0	0	0	1001	6213	9833	4379	0	4107	3174	0	1281	0	1532	0	0	4862	12089	2353	0	6929	0	2762	2132	0	0	0	2284	1857	0	0	0	4088	3321	1531	0	0	2707	0	3855	0	Organosulfur	0.35714287	1.5	0.071428575
24	C14 H21 O5 N1 S1	316.1213	316.1217	0.289296	316.1214	1887	1846	1696	3323	22697	22418	1197	0	5865	0	0	1436	7343	96092	1728	0	3491	15144	13611	1382	0	0	0	0	0	0	0	0	2253	0	1334	1485	0	1482	0	2228	0	810	2748	3073	1604	39646	0	0	0	1543	0	0	1778	0	1837	1768	21567	0	2422	9113	13801	1215	10566	6810	0	3428	0	1865	22350	4422	31367	2292	0	0	0	0	0	0	4837	1274	0	0	0	0	0	0	7275	2035	3263	8803	0	3527	7849	0	1491	0	0	0	0	0	3344	4541	4931	0	0	2031	1312	14066	1272	0	14201	0	0	1533	Organosulfur	0.35714287	1.5	0.071428575
0	C14 H21 O7 N1	316.13907	316.13977	0.14936931	316.13913	7212	8176	5268	7428	9337	9780	1467	10385	7573	6034	1531	4765	14569	4396	3695	0	3070	14952	14700	6760	12438	11152	5142	7988	2291	1072	0	1674	18132	4279	9998	11851	19443	11650	10359	13348	13013	2404	4354	7044	2999	13583	0	0	776	5931	1708	288	15437	6394	7764	8752	8726	389	9823	5466	2882	13609	4312	2173	4152	2042	12663	10177	4141	15132	14087	4123	1624	2904	1418	11823	15583	8202	0	12999	499	5071	2280	0	1930	1688	2126	0	5561	2482	2740	8303	12312	3246	7648	7294	10937	2294	0	542	8042	7687	2980	6409	5325	8791	2800	7609	1816	10615	4096	0	1404	26043	Lipid	0.5	1.5	0.071428575
12	C14 H21 O7 N1	316.13907	316.1396	0.17898989	316.13913	305758	330757	357543	330428	577855	420003	273670	447839	670418	422685	268980	235583	844706	229526	362479	313710	413212	1083673	1045115	689183	783006	375468	426944	280859	269290	459123	139623	283639	582199	303175	352236	352490	558046	373281	628094	427422	466986	293694	373347	484762	344592	470109	13795	2551	3399	356390	278012	2540	346542	289488	323392	313658	534931	3318	1220237	599836	293904	386925	417329	305333	311688	356629	685370	748703	222496	638066	398881	333197	581887	571773	552263	290092	364962	405319	250061	314470	1610	303735	300304	237292	248717	229015	308437	251292	607882	405075	332303	302237	421138	275750	345475	525424	389285	273494	256005	5986	356740	479555	495194	448760	580007	457265	260082	346842	235127	312423	676611	3263	195416	880316	Lipid	0.5	1.5	0.071428575
8	C14 H21 O7 N1	316.13907	316.13962	0.17275664	316.13913	224758	232353	172942	223629	228323	168519	131999	255700	298270	176397	122498	173575	419355	99572	209088	299466	235435	418050	453282	312434	309692	241130	232178	266217	126126	139232	130954	88618	262749	233768	184882	230694	247958	210736	258569	237629	277444	170959	247972	196804	198048	242817	6156	926	1344	224487	227504	1073	239120	233221	217144	213704	219667	1714	525359	311801	148156	212965	233159	211534	273381	135266	319473	348620	112517	262277	181608	197791	200696	166060	202123	206241	211118	228494	182512	215792	967	159670	202846	106943	160469	126015	173220	95167	311848	182806	203961	181798	217483	184431	126342	218630	309751	136972	203607	2788	230002	286382	211057	274303	309687	324802	153461	338325	111348	182851	288338	1138	120643	367617	Lipid	0.5	1.5	0.071428575
6	C14 H21 O7 N1	316.13907	316.13965	0.21409993	316.13916	109902	108188	97702	107757	91839	70066	65934	127712	125706	102864	64810	79583	164599	38029	99372	137609	113711	200275	192810	128833	155050	238342	99667	139573	55429	45975	59430	37977	131651	113303	102708	109631	144523	122799	129133	127652	136608	79415	126387	83307	94029	104169	3054	648	1290	106809	118004	850	125732	119066	111872	109091	93626	1418	424734	136041	64924	129518	110171	121217	141630	63812	166837	132287	51137	115799	96832	131657	68060	67041	75469	104743	105279	117768	67749	94898	692	74805	81248	42251	67874	63178	80026	37432	131488	84964	81995	83877	97868	113420	77411	111372	151844	65906	92969	1566	101500	124709	75740	110836	151119	158836	74710	160555	69988	99877	122503	878	52732	197676	Lipid	0.5	1.5	0.071428575
10	C13 H21 O6 N3	316.1503	316.1508	0.25971255	316.1504	3555	3667	6471	6041	3777	2371	3426	4405	2530	1364	3256	2024	3991	1281	6434	9169	5436	3950	2811	1865	0	7521	7851	10086	5302	0	4546	25366	5423	2669	5622	6439	4716	5052	2537	5644	5615	4715	5148	0	0	1943	0	0	0	0	0	0	6132	5008	3355	4563	2720	0	2794	0	1648	14823	2855	2528	10217	0	2507	0	1265	2440	5133	6751	0	0	0	6330	4658	6164	2367	4449	0	4612	5432	33633	3858	1235	1075	0	869	2396	6107	4153	5070	11741	47802	26161	22450	5134	0	0	7269	4646	0	2086	1792	3544	3166	2593	0	11797	1705	0	6936	2015	Peptide	0.46153846	1.6153846	0.23076923
12	C13 H21 O6 N3	316.1503	316.1506	0.10398316	316.15033	2640	1940	3573	2553	1670	0	0	2209	1095	0	0	1013	0	1095	1267	0	2155	1407	1567	0	0	0	2608	2623	1265	0	1749	10032	2807	1569	1370	2311	2242	2728	0	2777	1756	1115	1479	0	0	0	0	0	0	0	0	0	1322	0	3141	2105	0	0	0	0	0	1555	0	0	0	0	0	0	1033	1879	1063	0	0	1248	0	2915	2415	2276	0	2007	0	1699	1347	0	1134	0	0	0	0	0	1386	1612	998	0	29932	15808	4894	0	0	0	2883	3707	0	0	0	2203	1646	0	0	0	0	0	2284	1436	Peptide	0.46153846	1.6153846	0.23076923
8	C13 H21 O6 N3	316.1503	316.15085	0.24322636	316.1504	9528	8456	8414	10918	4181	5991	5657	9723	8061	3302	2463	8008	6368	2652	9359	14489	9789	9871	11875	3323	3005	13898	11301	16350	7446	0	7808	11438	8985	8043	6674	11421	12930	9819	4711	7521	13687	11168	11491	5039	2885	6732	0	0	0	6399	2250	0	11752	9583	9249	6175	5038	0	9323	2762	5415	14575	3695	4653	16045	1553	6773	5681	3583	9086	6562	12639	0	0	0	10260	7674	7470	6806	8079	0	6514	10811	19589	5813	3193	3155	0	5124	4221	11835	7606	8113	20274	40180	24014	25665	5508	1599	0	11699	10083	3358	3297	2869	10160	6686	6987	0	14252	5823	0	8707	10277	Peptide	0.46153846	1.6153846	0.23076923
0	C13 H21 O6 N3	316.1503	316.15097	0.07162791	316.15033	22073	24841	22618	21474	40603	53149	7420	34785	41557	6333	5033	17373	44910	13326	9906	3299	20963	66775	48571	6769	12748	28965	18452	29546	11993	659	1655	12683	46802	11859	26726	29999	57538	41689	11447	28676	36124	11446	22281	5056	2582	40123	0	0	0	9528	2101	0	35291	18369	23698	23971	45845	0	33731	13548	14003	44229	7349	5815	13012	1571	37323	34418	28601	51621	48376	25562	682	3335	0	34183	36289	18522	0	29030	0	12477	11636	29399	8886	1948	4991	0	22169	20040	13068	38179	40909	26282	142227	55299	47420	9208	0	0	26066	28524	24535	13988	14254	26972	11289	10232	2264	39778	72920	0	10037	76936	Peptide	0.46153846	1.6153846	0.23076923
2	C18 H21 O4 N1	316.15433	316.15497	0.19301997	316.1544	20756	24518	18801	22197	6311	0	19704	43391	5501	34774	19652	19044	4906	7000	24069	29891	27222	11925	14373	39692	44097	23129	20853	41747	29046	50024	20155	18665	29024	27568	24447	30238	27931	26679	38021	33078	28097	19404	27849	29184	27974	12606	399	259	0	19596	24224	341	31442	31710	20819	19425	8621	299	9013	3765	5235	28117	2803	7024	27289	15681	6060	7712	5200	7374	11927	32429	36649	48207	59455	27832	26655	29271	32114	28034	0	19771	21372	18802	18985	8787	10093	21065	4560	6914	18926	11096	13040	33735	20213	14023	35737	17188	32073	747	20654	25957	4528	1710	3298	26841	15687	32543	11148	23068	2833	305	18050	5783	Phytochemical	0.22222222	1.1666666	0.055555556
12	C18 H21 O4 N1	316.15433	316.15485	0.17916207	316.1544	54057	66082	63501	53234	27260	22045	39264	48956	25863	135068	88612	24551	18410	16931	29973	56807	52408	30360	49789	165594	190509	66776	27504	65777	32702	223088	28928	77541	40502	37170	37791	38436	55642	45198	167047	36979	46855	28790	55064	134124	162772	28269	807	573	520	68287	76796	390	50814	35156	62795	61323	28004	410	24122	14118	15818	62128	12125	42084	35789	72904	27523	18701	16398	30123	29165	52681	174825	289327	331065	36545	37123	35345	43780	38449	324	26135	39760	44999	34304	37743	21770	81076	16887	15526	43756	29560	27865	82589	64377	45811	70499	63673	109422	0	69391	54466	25639	18416	18326	41339	27693	47500	27571	44533	22163	611	37374	28455	Phytochemical	0.22222222	1.1666666	0.055555556
10	C18 H21 O4 N1	316.15433	316.15482	0.17441605	316.1544	72923	67777	60728	54954	26768	21778	25424	52244	22530	200886	123305	30232	23378	18784	27492	57774	53054	27630	41965	216860	242041	73722	34568	57771	28471	276877	34799	116357	46129	38442	36147	47103	60444	41390	198993	38668	59041	29164	59824	136142	144386	28281	1250	478	321	79907	83720	0	60548	37187	67568	59804	24653	690	28836	12812	13534	58764	5303	36703	53830	60444	21966	21366	14399	28474	28490	69967	226468	356490	403376	47467	37971	32252	50111	39180	0	25241	37160	60506	32609	25938	17158	90658	17159	19168	39070	30348	22994	74603	72900	35862	75984	78302	139061	658	69566	72450	18440	13079	16890	55041	24655	48869	30386	44761	17531	0	36305	22483	Phytochemical	0.22222222	1.1666666	0.055555556
26	C18 H21 O4 N1	316.15433	316.15463	0.42127594	316.15448	4243	5811	5360	4650	0	2405	0	0	0	2339	3129	0	0	0	0	0	0	0	0	0	0	4978	0	0	6010	0	0	5497	0	0	2739	0	3240	0	2588	0	3732	5222	5195	3034	4995	0	0	0	0	0	0	0	2202	0	2421	4522	3041	0	0	0	0	2924	0	5053	0	0	0	2595	0	3323	2487	3872	0	3027	5362	0	0	0	0	0	0	0	64004	10376	3884	2680	6123	0	0	0	36710	0	0	130288	3172	6206	15269	2314	5974	0	4368	0	0	2591	0	0	0	0	0	4507	0	0	25840	0	Phytochemical	0.22222222	1.1666666	0.055555556
8	C18 H21 O4 N1	316.15433	316.15488	0.20217308	316.1544	66781	75973	55177	69860	27335	27391	27001	53529	22498	191873	109939	32142	23205	22130	31478	72462	55579	31653	49128	230189	254417	79439	35844	67111	38659	292528	37402	99415	48345	42389	45642	51851	51823	52477	210473	43947	63937	29496	64703	131736	130246	30477	916	288	328	79653	99083	401	60859	43278	60749	70988	27965	359	24764	13487	19311	54709	4542	33166	51654	58474	27410	23711	21496	30387	30867	70783	215242	350007	403372	44391	45125	40811	47384	47135	356	31606	51424	63610	32915	22037	12912	104131	16860	15789	50835	35914	30950	109489	59612	31846	91259	82446	133172	411	68313	72703	19688	12048	16459	52257	26031	53185	31045	47143	18273	334	49615	25875	Phytochemical	0.22222222	1.1666666	0.055555556
0	C12 H21 O5 N5	316.16156	316.16214	0.035739448	316.16156	0	0	0	2179	0	0	0	1883	0	0	0	1846	0	0	1680	0	0	0	1180	0	0	3192	2101	2869	24614	0	0	3454	1606	0	2633	0	1994	1890	0	0	0	1942	0	0	0	2890	0	0	0	0	0	0	0	0	0	0	0	0	954	0	0	2503	1323	0	0	0	0	0	2270	0	0	2506	0	0	0	0	0	0	0	0	0	0	6125	4839	4300	0	5199	0	0	1841	8672	0	1876	7283	0	0	7273	0	0	0	0	1806	0	0	0	0	0	0	0	2562	0	0	25217	0	Peptide	0.41666666	1.75	0.41666666
8	C17 H21 O3 N3	316.16556	316.1661	0.22099583	316.16565	11317	14370	14525	15307	2772	6557	9818	14650	3150	18160	11638	8166	1119	2540	9148	20424	13841	3299	6753	17641	18809	14163	8308	22029	15230	14654	9928	36229	11347	10334	12876	10922	14186	12319	15208	13314	19479	8655	17820	18777	20178	6093	0	0	0	14683	17230	0	18278	13652	11954	12188	4715	0	1396	2039	3497	17479	2407	9516	17262	9906	907	2044	2459	3389	5239	18475	8385	14526	20227	10921	12357	8678	10733	12215	0	8751	13718	130296	8940	5995	6046	14552	0	0	12766	8075	8689	32578	134443	72484	35969	25986	23125	0	14210	12249	1502	647	1898	15054	6193	17421	0	18075	0	0	13209	1448	Peptide	0.1764706	1.2352941	0.1764706
10	C17 H21 O3 N3	316.16556	316.16608	0.2421558	316.16565	21455	15670	14521	13220	3250	4801	9553	17735	1592	10322	10291	9206	1120	5761	5991	28892	14630	5720	4349	12821	13701	12556	11808	26428	13379	9785	6446	11678	11456	13321	12383	13493	18340	12564	10223	10687	14494	9205	20556	19457	21887	5055	0	0	0	12162	11332	0	14367	11922	16497	17778	4268	0	2448	754	3103	37042	3403	10984	23945	8011	1152	2526	2179	3742	7500	24078	0	12763	11401	12530	10831	9340	14369	11658	0	5455	9865	19158	9571	3955	6498	11865	0	2913	17686	7852	5035	40979	263399	44721	28649	14077	16788	0	13676	12711	0	1484	0	15127	7149	11279	0	24586	1579	0	21598	2231	Peptide	0.1764706	1.2352941	0.1764706
12	C17 H21 O3 N3	316.16556	316.1661	0.27345425	316.16565	6963	8281	7993	9401	2998	3698	7164	11131	0	5837	4205	7729	1184	0	4903	9037	14248	2402	2455	9701	9220	12208	6271	13985	7066	7373	7763	0	9111	8690	9393	8998	14850	8938	6297	9247	6841	7812	19068	14730	14237	5598	0	0	0	10942	6573	0	12018	8766	5739	5907	2524	0	1274	0	2718	11406	5307	10077	0	5040	0	1260	2168	2668	5745	17465	0	6234	10904	9235	9153	7998	8620	10409	0	8582	7350	0	9213	4598	7878	10838	1930	2647	7495	5419	5661	29305	14796	8296	20263	6599	9895	0	7139	7719	0	1312	0	11968	6486	6690	0	17249	1099	0	10792	2131	Peptide	0.1764706	1.2352941	0.1764706
14	C17 H21 O3 N3	316.16556	316.16605	0.31863233	316.16568	10268	5067	5152	6693	1722	2886	6242	12800	1443	1900	4503	5392	0	0	4349	18230	16777	2441	3961	6325	7425	10105	7170	21891	7301	2237	6630	0	9887	7167	7473	10475	10179	9958	2787	8289	8307	5691	18222	7635	10483	6048	0	0	0	8543	4347	0	12690	8680	8700	6318	1935	0	2276	0	2649	18306	0	8095	19720	4741	0	0	3217	2951	3344	15165	0	6112	7066	10485	7977	5477	10949	9707	0	6241	9868	0	7303	4027	6535	8643	0	0	11907	6860	4385	57801	15559	9115	31115	6524	12087	0	5511	6080	1511	0	0	13826	5219	7678	0	12818	0	0	12237	2097	Peptide	0.1764706	1.2352941	0.1764706
10	C15 H25 O6 N1	316.17548	316.17596	0.14167863	316.1755	113521	92634	102187	92944	96500	71175	109012	149723	80390	60776	37641	82555	153534	61278	104005	184865	153272	135323	150926	125821	100871	107993	110343	170195	102733	73577	80032	34744	149351	142715	90950	115168	132030	109127	77983	145202	115532	79429	130015	61119	73830	100060	9367	534	767	108564	105901	0	118075	134770	100546	103201	86464	2109	148115	126112	53728	161135	74560	90464	173828	42910	107765	100069	116668	106350	82613	131067	73980	76684	68065	91438	101092	119982	114040	100411	0	76531	117945	60259	87306	72349	138598	64250	152948	83927	124808	67002	77754	124215	106100	101481	153759	59185	94999	2468	96598	137542	67247	137581	204916	151097	69147	148379	42563	112784	123210	1067	83809	119539	Lipid	0.4	1.6666666	0.06666667
14	C15 H25 O6 N1	316.17548	316.17593	0.18370005	316.17554	149670	153628	129516	151585	177324	167662	193638	221326	152291	64810	66560	110062	279815	161238	190653	242611	292004	320778	285701	182754	181150	125200	206533	201898	177519	169836	156027	80965	284689	226368	117439	195201	265916	162382	116393	241648	206113	148872	274265	66849	87649	195235	18105	2151	1826	143284	133576	2338	180932	166041	136358	133895	171462	3529	281859	240993	90481	231543	113073	107469	222522	63190	203126	160675	137871	233380	207716	217519	85725	114418	80698	130288	170204	211437	252927	154064	1150	124918	180033	114945	136582	94770	230807	160540	255282	174213	252199	141039	181429	210189	175678	143735	242399	87007	105679	4784	130191	224020	139871	276064	399966	300819	113812	202653	66839	141146	217565	2392	118598	182485	Lipid	0.4	1.6666666	0.06666667
12	C15 H25 O6 N1	316.17548	316.17596	0.18082985	316.1755	77111	80663	100470	81595	156351	115300	171680	225490	111433	55010	45580	112320	190850	179386	149053	117378	260008	229239	256552	124146	151043	107303	190406	111011	154785	124577	49250	68413	254920	96792	147688	93494	211496	138695	100493	152008	120665	126264	212654	64623	70264	139772	14065	1191	1261	125441	107838	954	115002	111865	81075	70807	145515	2126	213292	180254	95230	157860	96458	120532	92783	55569	158531	132840	215654	187787	156214	193408	63261	106358	88580	89069	126657	127077	99339	105733	696	128971	171119	79210	127730	98234	343924	210500	217561	137719	189145	89407	138776	231598	96434	130115	210522	78029	50085	4447	89083	145766	116872	187854	284872	123862	102505	86651	52470	151096	189439	1030	118138	149148	Lipid	0.4	1.6666666	0.06666667
4	C15 H25 O6 N1	316.17548	316.17606	0.1911849	316.17554	74348	72314	35836	35059	67972	22210	38444	41822	63322	23152	29583	19475	102606	31206	26812	81218	21657	39603	93202	36226	36793	95930	26345	73504	50698	22703	81141	13802	37092	28209	70558	43180	94150	42350	40040	40997	80044	41602	31272	27250	39683	18631	0	436	455	33009	49328	505	42411	31196	37117	34229	26653	454	89222	27474	13457	97116	51108	20438	70516	26097	91062	59692	150489	38532	45892	28083	84035	22581	56343	53684	25751	75556	13968	51198	272	50036	54318	25226	20288	41577	19441	13555	31850	46002	34384	36906	46173	107534	88166	135610	62217	26905	27772	1040	31779	40698	22929	34217	32713	74374	20142	46188	26341	32254	52328	294	35726	238152	Lipid	0.4	1.6666666	0.06666667
2	C15 H25 O6 N1	316.17548	316.17612	0.16150251	316.1755	46415	44686	41164	84946	200946	189135	25037	102946	56204	27085	14948	58624	85384	26665	56684	50004	59250	79756	47919	30692	37773	99042	51172	65162	39554	9434	16688	0	116614	42892	97804	95250	118986	77358	75126	88986	105108	46274	66182	25544	27044	28559	682	0	0	23669	22352	0	69895	33910	41159	45839	66767	246	42671	19245	12568	60324	38556	18443	60426	13479	71192	71020	16101	79698	33292	77922	16394	22725	27349	46978	50604	46755	27964	90602	0	56016	46916	0	35484	15418	16142	10052	48536	39428	35760	42804	29562	111748	80933	105713	125498	23377	30810	0	91530	93552	18296	25919	50412	81902	55032	44050	16118	76062	24848	0	44140	95636	Lipid	0.4	1.6666666	0.06666667
22	C15 H25 O6 N1	316.17548	316.17593	0.30786878	316.17557	15585	11286	12505	11196	22044	14004	15001	16783	20334	7315	4040	8700	34374	17380	11897	15149	15684	28961	30335	5711	8642	4541	14082	12514	9259	9245	15581	3593	16096	11064	9966	9792	19766	14517	3591	14523	16674	8731	9910	6403	15073	16264	0	0	1970	4185	8806	2707	14766	14377	11324	13273	20428	2247	28866	21606	14861	13461	4878	10964	13193	4849	25785	34563	12993	27376	19150	11444	3836	6511	6481	13016	13702	13720	12369	10896	2260	9349	15469	5053	9984	3808	27992	33344	33598	12023	15692	13605	15934	18416	8533	13982	13248	3457	7871	0	9155	16289	15414	25565	37345	23473	9528	12572	5930	10745	18940	0	7097	29937	Lipid	0.4	1.6666666	0.06666667
2	C14 H25 O5 N3	316.1867	316.18735	0.20912723	316.18677	22756	26261	23576	23488	11615	37096	8146	14759	12214	7627	12647	7581	16152	6502	11368	16164	14841	18323	15543	5995	4332	19105	11873	20893	11285	0	5066	98909	20623	10946	15656	16358	26201	18144	6994	13644	21154	10867	16983	2530	2323	15340	0	0	0	5530	3952	0	19498	7969	23631	25537	11005	0	14341	5087	5251	29880	3518	3380	16230	1404	13214	9146	5094	16108	14514	20037	901	2680	1019	12418	13539	12994	6665	12267	0	8524	11789	920122	7422	2099	2865	1392	6217	8878	17836	11528	13142	39081	408154	241257	42372	76186	4484	0	26444	21503	10181	6672	6973	15893	9266	8312	1828	21005	7334	0	10822	19689	Peptide	0.35714287	1.7857143	0.21428572
0	C14 H25 O5 N3	316.1867	316.18735	0.011217017	316.1867	12804	14931	16324	11963	10493	13330	7920	16540	14658	3943	5269	7587	13362	6989	12134	5335	15455	24044	19109	3632	6832	13055	12962	12236	9239	0	2062	14878	19332	5930	14631	12738	26690	12643	8047	12546	19675	12060	17808	0	2224	10969	0	0	0	5630	1980	0	14394	8635	11243	14539	16198	0	16950	5343	6281	18409	3553	3301	10008	1160	12504	12570	12022	15970	15725	20736	540	0	1312	11638	19665	12069	2219	11790	0	9303	10384	183481	9112	1691	3286	1423	8162	10439	11839	11425	13752	19007	145599	66556	30250	35034	0	0	13650	13909	9793	4771	9078	13924	7176	5430	1697	17468	12387	0	10417	26109	Peptide	0.35714287	1.7857143	0.21428572
10	C19 H25 O3 N1	316.19073	316.19122	0.14830807	316.19077	33593	33242	28075	30503	7737	12768	17754	44531	7172	83343	47699	35290	3665	8949	24683	65670	27912	8515	17258	96048	99704	21040	16964	43605	30625	107651	23890	49579	36869	34520	36680	38046	59633	39464	89286	33440	70209	24935	31986	37933	22361	15599	0	0	0	25288	25821	0	48367	34153	30150	35034	17464	0	3404	1228	7633	60040	0	3645	57688	12267	4700	5088	8120	11081	25067	49960	67137	115160	129759	44640	27722	31587	118098	36145	0	30608	20746	28706	20365	1898	1482	28608	3221	4280	29509	13467	17266	44975	41316	0	43758	26683	59471	0	32066	29221	5534	1571	2326	51785	29938	15061	0	39268	4257	0	30591	4822	Phytochemical	0.15789473	1.3157895	0.05263158
18	C19 H25 O3 N1	316.19073	316.19116	0.21139398	316.1908	15950	15803	15295	17693	7554	5831	9906	7664	4590	26547	31264	11104	0	2302	8516	19487	21312	9364	9180	29515	41268	17154	8281	17919	7655	56856	14348	18004	8742	10094	9736	13715	19499	13108	23664	13431	15661	5872	23627	33766	52052	5115	1017	542	0	9313	20901	577	16534	10041	17964	18044	4380	670	5804	2399	7034	15233	3672	20620	11896	16551	2739	2354	6588	6297	8793	31241	53001	52218	76232	9645	8627	9873	18997	9477	484	6178	16262	23689	10045	11782	11582	22715	4080	4309	15260	9840	7736	46800	22689	18517	26305	17858	24889	495	11133	11709	4017	0	3818	16533	8304	10411	4841	17506	3369	568	13265	3624	Phytochemical	0.15789473	1.3157895	0.05263158
12	C19 H25 O3 N1	316.19073	316.19122	0.23992214	316.1908	15483	14498	16137	14268	3355	6280	12216	17380	2373	42750	25965	8810	0	4197	6445	20023	13457	3370	8679	53161	51164	5512	6402	13423	10868	65831	12300	25146	13271	14190	12324	15147	17992	14037	51539	15268	17885	5369	15672	26300	19085	4944	0	0	0	9944	15503	0	19422	12379	16159	14300	7424	0	2877	1055	2447	15791	0	0	0	6805	1109	1981	3356	3311	7638	18340	41970	75373	79680	16210	13579	8807	26938	13335	0	10340	8113	0	7070	1391	0	20808	0	2011	8994	8631	7692	44033	18368	4532	26754	10058	30390	0	18913	15487	3125	0	1409	20648	9152	5883	0	11255	1225	0	8992	4084	Phytochemical	0.15789473	1.3157895	0.05263158
6	C19 H25 O3 N1	316.19073	316.1913	0.20671529	316.1908	54203	62423	56054	60088	6057	13440	69492	140992	5192	85586	51677	62765	3140	5753	112140	136534	58970	11783	21807	111127	111552	33004	48176	142613	46687	79002	93990	43336	72211	77242	94795	85614	91240	79120	95082	76489	93804	114788	73590	50188	15279	23121	0	0	0	41194	36540	0	122536	120141	56620	59191	16960	0	7213	988	10487	104448	1294	0	144018	23809	5757	5140	12517	11176	29581	98532	53451	93897	107357	104791	74623	87980	67746	71082	0	87609	36726	29770	43006	2380	2851	47809	2482	10609	32027	33855	27672	111666	60293	5586	116445	36890	93249	0	54108	52824	3399	985	2005	80706	66763	48041	11998	88768	2091	0	37725	7271	Phytochemical	0.15789473	1.3157895	0.05263158
16	C19 H25 O3 N1	316.19073	316.1912	0.22420757	316.1908	11343	14092	11891	12564	4253	3393	9081	8838	2962	21951	19121	4942	0	5290	3869	16845	16710	2990	4944	25776	32214	14898	7623	10750	9122	44232	12619	17167	9848	9809	8079	8723	14214	8122	23632	9640	10087	7702	21135	20447	30590	2596	0	0	0	8056	18107	0	8755	9852	11996	12054	4773	0	2662	1501	5671	14582	3002	10714	12897	7310	4575	3390	2638	4453	7569	15824	37920	38773	67180	8015	7276	5234	13762	8497	0	4823	8719	14552	9941	5648	5573	17965	5225	2326	11485	6192	4547	54356	17231	11777	44150	17516	18432	0	12440	13069	2626	1691	0	11972	5901	6370	4377	13603	2067	0	12016	2451	Phytochemical	0.15789473	1.3157895	0.05263158
8	C19 H25 O3 N1	316.19073	316.19125	0.18212266	316.19077	43859	51695	45831	51003	6485	12683	49134	79445	6656	95410	51185	38707	3892	6940	42790	116963	54805	11936	24912	124831	118612	28976	23125	128147	28465	107949	68380	56754	46017	51213	52757	58032	70554	50071	110519	52606	73231	40775	56312	57512	12985	19245	0	0	0	35349	30618	0	74261	66972	41643	52050	14164	0	7056	2441	7093	92682	0	2528	116561	18330	5970	6417	11761	9560	18226	75745	68841	127137	119218	53910	49642	43538	55963	52888	0	36210	20924	24564	20057	2927	1784	43458	2514	4817	19473	18991	22757	108641	49964	0	96801	29860	77653	0	49251	49003	4744	1075	0	63540	35765	30165	10519	53139	3695	0	25956	4510	Phytochemical	0.15789473	1.3157895	0.05263158
2	C19 H25 O3 N1	316.19073	316.19135	0.13449983	316.19077	10171	10529	10137	9849	0	0	9616	30055	260	9194	5870	12164	0	367	11905	20323	20827	1353	1544	15362	10500	6186	9754	19536	11019	3723	10815	3990	22208	22452	17381	20479	13956	17032	9277	26593	15534	9715	18169	12857	7494	3876	0	0	0	6797	10384	0	21827	27939	8352	8855	1361	0	641	0	1641	14065	0	1017	14715	5769	0	345	0	623	3443	17880	2222	3195	4248	21270	22384	30899	25768	20866	0	10894	7719	0	9243	1463	2384	10924	0	1696	6526	2917	4867	15710	9443	3048	18537	6419	14716	0	10083	10876	0	0	320	14592	8152	17856	3775	14215	217	0	9473	0	Phytochemical	0.15789473	1.3157895	0.05263158
4	C19 H25 O3 N1	316.19073	316.19135	0.2146882	316.1908	29416	28639	25337	22950	1722	6786	19685	69118	1393	32223	15450	28104	1074	1479	26706	57813	40311	6063	8255	43452	43197	20450	22489	62400	23863	21990	23884	14692	41014	39777	39141	46362	39593	37037	34736	48024	40621	23912	42766	30999	13242	10693	0	0	0	19261	20318	0	51029	58330	25800	24798	5837	0	2926	632	4650	46707	0	833	47672	13201	1205	3281	4947	5304	9912	54809	12524	21349	23349	43733	39168	50983	57197	36704	0	29344	24181	20377	22975	2748	3477	24745	1350	4763	19270	11704	13046	48220	35691	6701	70834	19612	45347	0	26254	28811	1521	469	1151	41102	22986	33997	8801	40904	859	0	22141	666	Phytochemical	0.15789473	1.3157895	0.05263158
14	C19 H25 O3 N1	316.19073	316.19116	0.21397881	316.1908	12586	17562	15655	11535	5125	5820	11147	10299	2571	21490	12032	8565	0	3314	5898	14154	13734	3634	4002	34480	26794	24954	4837	13048	7312	48592	14663	14761	11027	10211	13497	9301	16943	15682	27318	11332	14370	7702	13606	19542	17365	3925	0	0	0	10058	13693	499	13934	8216	13084	12661	5953	0	2271	0	2203	14647	0	6569	0	6463	1892	1245	3150	2439	2311	23117	24400	50070	61109	10088	9868	8154	15756	13675	0	8212	5412	0	6400	3209	5223	19514	1878	2657	6361	7497	5373	210081	15972	8644	126890	10148	22590	0	12509	11793	2634	1809	3252	14522	7274	4180	0	37406	0	0	10053	2861	Phytochemical	0.15789473	1.3157895	0.05263158
24	C16 H29 O5 N1	316.21185	316.21225	0.23665738	316.2119	5330	6416	6759	5384	8078	7380	3986	4280	6680	2373	2891	2871	14275	8658	6476	29451	6827	11920	9933	3429	0	3790	1993	1780	6403	0	5034	12235	4669	2017	2114	5243	5453	7064	8424	3989	12368	5395	5832	1086	1752	4867	3855	4380	5717	4302	3744	3320	6444	2499	7030	4751	6480	0	15352	4137	5791	5326	3051	7564	2156	1479	24229	6173	5743	14563	10277	4141	0	0	2139	1318	3953	5514	4314	5362	0	4544	1947	16328	3190	5348	3681	2443	3294	5401	4334	7286	7361	6197	31067	21838	5892	3237	6248	1995	5448	5589	11150	6306	10161	8581	5124	2726	6973	8149	5997	0	2902	8625	Lipid	0.3125	1.8125	0.0625
8	C16 H29 O5 N1	316.21185	316.2124	0.2141813	316.2119	21346	25908	23774	22857	6251	6351	21745	66992	3153	8276	8757	23011	4874	4376	49858	44943	44058	6889	9254	11336	7503	11898	27927	35096	23619	1756	25490	8092	40314	48484	41781	52523	40974	37360	15354	41896	38502	29111	56928	5494	4062	9648	765	0	0	22286	32197	0	74741	61902	25629	23959	6153	0	3031	2757	5210	47436	1031	3984	47379	1813	7981	4147	11917	6771	9773	79258	3897	7642	5415	62950	83647	155081	36600	53868	0	24935	25864	7855	22491	11641	5284	4544	2059	4762	25913	12638	12167	50179	25414	15039	26802	4123	6664	0	26448	24180	3135	2094	2191	35467	21023	29155	14599	32497	1956	0	25848	6628	Lipid	0.3125	1.8125	0.0625
12	C16 H29 O5 N1	316.21185	316.21234	0.20126787	316.2119	0	0	1442	3471	2378	1344	0	4350	0	0	0	1542	2492	1549	1215	3532	4145	1591	2518	0	0	0	2841	2972	3636	1525	1885	0	33270	4228	2463	2302	4560	2169	2357	4355	2756	1895	3280	0	0	1914	0	0	0	0	0	0	23972	2162	2421	2727	2380	327	0	1415	781	3943	0	0	0	0	1153	1171	2757	2287	3013	6120	0	0	1220	3641	3475	5293	2069	8195	0	2177	5594	0	2206	822	3910	2548	1814	1510	10650	1286	2124	20132	7270	6541	6916	0	0	0	2105	2341	0	1281	2339	2259	1859	0	0	5847	1406	0	2674	0	Lipid	0.3125	1.8125	0.0625
10	C16 H29 O5 N1	316.21185	316.21237	0.22793676	316.2119	10087	6787	5381	7323	1906	1949	6156	10946	2496	2730	2250	5058	1518	5519	5942	5554	7109	3182	2872	3147	1467	5505	10801	5495	5247	0	9931	0	6475	13950	10818	13381	8679	7567	4226	7323	9291	4019	11484	1732	899	1566	0	0	0	4265	2270	0	7221	9039	7630	10293	2249	0	2237	659	987	13219	0	0	9249	0	1542	1380	5044	2235	2087	10241	0	3135	1365	12702	11611	13614	21661	16926	0	4688	7394	0	4926	0	1405	1384	1546	1829	11119	1251	3489	18060	14103	4416	9169	2691	3357	0	6013	4582	0	1122	2151	7350	4767	3976	0	7950	666	0	5389	3196	Lipid	0.3125	1.8125	0.0625
18	C16 H29 O5 N1	316.21185	316.2123	0.26578835	316.21194	35590	42121	32832	32242	21963	23943	146546	20982	0	13227	17427	28001	19062	46285	19643	26927	306610	27573	31379	7148	7995	5014	10255	12860	17959	25472	114031	22972	54308	31233	19124	44076	207389	43757	7997	44400	178698	14322	346931	1372	4488	38637	9799	509	521	7276	10376	919	38715	20826	35558	32718	55579	2046	5834	11715	12707	22547	4174	8131	23137	1208	23435	8416	37360	57647	45058	307387	0	2533	10932	21044	30948	39590	110733	47856	572	21015	14087	31806	7311	7681	102221	82253	9923	25501	13889	65418	33235	30470	21785	17450	18314	4367	12925	1313	41008	45663	10281	7894	17301	207666	25237	12476	5965	40989	9352	0	13459	13285	Lipid	0.3125	1.8125	0.0625
20	C16 H29 O5 N1	316.21185	316.21228	0.21733928	316.2119	20133	17930	20844	20955	21957	17791	90773	14516	8203	6847	5467	13628	25965	38650	20041	18529	22780	31432	29453	10691	8072	9759	33297	8545	19705	14944	80250	20510	25213	16778	13843	28636	26141	29609	6983	20261	32343	13498	25652	6380	7868	21254	18203	1589	1643	9636	8909	1411	22574	15036	21423	16018	20531	2986	13266	19416	13643	22094	11768	13048	20731	3433	21654	13142	30977	43560	36453	27305	3014	1926	4511	14652	25142	21676	25711	17170	1274	12716	9589	49578	15408	8380	94693	68393	17902	18679	17901	26160	20025	20944	61953	38127	13399	10687	10097	2164	20401	25696	18148	18500	24484	27250	11785	21464	17290	18749	13963	1288	13475	17099	Lipid	0.3125	1.8125	0.0625
14	C16 H29 O5 N1	316.21185	316.2123	0.2471258	316.2119	9915	12020	8304	10580	5876	9830	14471	7106	0	0	0	3289	3392	4015	2358	9985	132121	9420	12580	1723	1669	0	2461	4567	4373	3960	11603	0	34730	18682	6793	20931	82374	13525	3015	23329	57764	4123	157513	0	0	16319	0	539	0	4107	0	551	15326	4127	9470	7055	22001	338	1621	2659	3251	7731	0	0	0	0	0	2256	5462	17416	15117	159598	0	2152	3783	3169	12605	7985	26560	20947	223	1756	7215	0	4590	2314	11133	10371	2925	6386	11600	18408	17867	21720	10807	5867	15491	3495	0	0	8795	12992	1545	3623	8245	57460	1849	2592	0	20421	5234	0	4617	2545	Lipid	0.3125	1.8125	0.0625
2	C16 H29 O5 N1	316.21185	316.2125	0.22938898	316.2119	24105	29179	41991	21484	2459	0	134842	27034	1521	84462	53880	96105	2418	135364	56189	206800	19291	3554	3513	178633	52053	8958	67102	49354	193524	67613	174946	249856	15687	32359	15872	14117	16942	8411	9414	23647	35947	74524	18789	7204	6067	11419	1313	0	0	8222	7902	1256	23774	77504	23029	18719	6847	0	2590	3295	10614	24345	30242	3162	1060667	227610	7682	1899	295905	3492	13174	21010	287479	659123	15787	15635	10933	30411	9652	14839	0	44260	9963	136695	11262	106873	50038	12668	5430	48301	16005	22237	5616	19493	84035	148508	259921	22016	66777	0	41491	77260	3506	1927	2362	29382	38405	63760	87870	16063	2993	568	16596	4086	Lipid	0.3125	1.8125	0.0625
22	C16 H29 O5 N1	316.21185	316.21228	0.23913811	316.2119	17011	15211	18567	21920	22641	16542	49606	21114	9873	10345	7106	10609	17536	24662	47500	32271	21879	25921	20948	5764	6425	13229	143887	15736	36962	0	37010	20363	24787	19789	12591	26402	23111	36615	5526	22595	21103	45375	20949	3331	7044	17907	15657	0	3276	10243	19370	0	18649	22407	23458	23513	15919	4335	25597	16518	10879	22750	9130	30427	19491	3680	18826	9567	28201	43221	30481	19358	0	0	3059	15075	17114	13590	15328	23370	1970	15918	20103	38476	133906	14837	19954	9302	9101	20652	21077	24419	18458	19862	75903	50185	43066	7976	19035	0	21373	26055	18373	11618	17361	30053	16895	15739	21040	22965	16455	0	27725	15086	Lipid	0.3125	1.8125	0.0625
16	C16 H29 O5 N1	316.21185	316.21228	0.27993262	316.21194	9172	8795	9959	8959	6587	5958	49036	6421	1509	1898	0	4324	9183	26552	8367	16546	17809	3167	4026	3610	3455	3150	3854	7272	7008	23796	40934	3455	12603	9185	8035	10216	4823	7735	2333	15115	8134	3832	15165	0	2514	5792	2086	0	0	2331	3188	498	7535	9168	5789	4072	6730	932	2397	8975	3651	11107	1303	5520	10882	0	5250	2154	14627	9812	14626	16390	0	0	0	5966	8793	7022	12294	5727	0	3892	3519	7991	3881	2404	101211	93470	7205	5022	14278	3699	3060	27105	17008	10563	0	0	3803	506	6186	11623	2334	7106	9736	13376	4442	3698	0	0	4433	0	7452	3112	Lipid	0.3125	1.8125	0.0625
4	C12 H30 O1 N5 S1 Na1	316.21414	316.21484	0.10280161	316.21417	0	0	5068	0	0	0	0	0	0	1947	3476	0	0	0	0	0	0	0	0	0	0	0	0	0	7368	0	3062	27035	0	0	0	0	0	0	0	0	0	1098	1870	0	1779	0	0	0	0	0	0	0	0	0	0	0	0	0	0	325	0	0	589	0	0	0	0	0	53977	0	0	0	2661	0	0	0	0	0	0	0	0	0	0	0	0	0	494	0	0	283	0	0	0	0	0	0	636	0	0	0	12693	2016	0	0	0	0	0	0	0	0	0	0	2541	0	Organosulfur	0.083333336	2.5	0.41666666
10	C15 H29 O4 N3	316.22308	316.22345	0.2673021	316.22318	18134	17066	20285	19712	0	12870	0	0	0	0	0	0	0	0	2441	0	0	1228	0	0	0	1519	0	0	0	0	0	170471	1192	0	1267	0	1669	0	0	0	0	1118	0	0	0	1397	0	0	0	0	0	0	0	0	15675	21799	0	0	0	0	0	1216	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	899	0	0	0	337996	0	0	0	0	0	0	0	0	1023	0	2232122	1015225	0	59144	13006	0	19857	15428	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26666668	1.9333333	0.2
4	C15 H29 O4 N3	316.22308	316.22366	0.09214601	316.2231	22885	28844	25124	21864	2265	23372	1315	1027	1072	2880	5889	393	3142	1867	1577	3862	1095	3608	3231	0	0	3270	562	2305	1680	0	0	179127	2057	537	1966	1151	3996	1872	0	1613	2835	1525	1711	0	435	3041	0	0	0	0	0	0	2716	914	24167	21277	1923	0	1534	768	402	5251	0	0	1982	0	2885	672	2384	4267	1139	1113	0	0	0	1266	1537	1417	0	779	0	1105	1384	966648	1179	0	0	0	1934	2360	2782	1764	1923	3595	2090248	1189020	3096	67996	12436	0	25355	23057	2094	829	1526	2154	1550	0	0	1770	1929	0	1137	2686	Peptide	0.26666668	1.9333333	0.2
2	C15 H29 O4 N3	316.22308	316.2237	0.2038412	316.22314	1936	1969	1943	1256	1937	0	781	2614	608	335	0	918	2915	2685	1106	3628	1261	1010	1231	625	444	1065	1592	3118	2727	0	0	10296	3821	1754	2055	1786	1954	2350	0	1996	2047	1513	1383	0	0	0	0	0	0	487	0	0	1848	1256	1301	1306	915	0	1162	546	453	4362	0	577	3600	0	1382	0	0	3858	1699	2078	0	0	0	1497	1577	1583	1616	2038	0	1036	2398	362791	2137	0	0	0	724	1289	3541	1203	1388	5061	6650	4754	6303	1299	0	0	1695	2135	0	415	0	855	555	516	474	3266	597	0	3758	1555	Peptide	0.26666668	1.9333333	0.2
12	C15 H29 O4 N3	316.22308	316.22354	0.2533348	316.22318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1841	0	0	0	0	0	0	0	0	1726	0	0	0	4848	1127	2102	1791	0	2619	0	2979	0	0	0	0	0	3915	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2200	0	0	0	0	0	0	0	0	4820	0	0	0	0	0	3335	2367	0	0	0	2400	0	0	0	0	0	0	0	0	0	0	1541	0	67956	50994	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26666668	1.9333333	0.2
6	C15 H29 O4 N3	316.22308	316.2236	0.29096285	316.22318	21183	22777	20073	20377	791	13010	0	1793	0	1954	10588	0	717	1107	1991	4141	755	1090	0	0	0	1718	0	2021	1822	0	1717	209870	1909	850	1894	1812	4375	1444	943	0	2345	1271	1247	0	0	3056	0	0	0	0	0	0	2993	1048	19593	23779	1012	0	0	0	0	3184	0	0	2196	0	693	0	491	1038	1031	1243	0	0	0	864	1543	1283	1309	1263	0	693	620	1304183	0	0	690	0	0	0	1466	765	1315	3867	1161591	514846	3384	93011	10392	0	19781	14629	1083	0	0	2230	979	0	0	2109	466	0	1155	2836	Peptide	0.26666668	1.9333333	0.2
8	C15 H29 O4 N3	316.22308	316.22357	0.19432344	316.22314	58850	65247	62448	64421	1476	55724	0	1285	0	3430	23345	1208	2173	2297	1411	6409	0	3327	884	0	0	2637	0	2444	973	0	2073	788935	993	779	2051	3413	8933	1831	0	830	6744	1557	3169	0	0	10564	0	0	0	0	0	0	3261	1064	54692	55132	2605	0	0	0	0	3441	0	0	0	0	1105	0	1823	4656	890	0	0	0	0	832	1725	830	0	0	0	1427	0	2474923	0	0	0	0	0	0	0	3651	2340	1659	3593756	2129184	1586	242718	32893	0	60611	57691	3713	927	0	2905	2623	1633	0	2206	0	0	0	1551	Peptide	0.26666668	1.9333333	0.2
26	C20 H29 O2 N1	316.2271	316.2275	0.23242238	316.22717	2571	2338	0	2271	0	0	0	0	0	0	0	0	0	0	0	10361	0	0	0	0	0	7911	0	9070	5594	8552	0	0	0	0	0	0	0	0	0	0	1597	0	0	2143	4305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11242	0	0	8878	2670	0	0	0	0	0	2148	0	0	1656	0	0	0	0	0	0	0	19601	0	5990	3069	0	2093	0	0	22475	0	0	30766	5141	4437	19168	3613	0	0	2716	0	0	0	0	0	0	0	0	9610	0	0	12098	0	Lipid	0.1	1.45	0.05
12	C20 H29 O2 N1	316.2271	316.22757	0.21699962	316.22717	10002	11373	9365	11385	0	3953	2145	14011	0	5793	5133	4445	0	0	4200	23138	3755	0	0	10307	10352	0	4318	18968	11407	10172	5956	0	12296	14983	15288	22161	14878	12120	5113	13128	12527	3981	1859	6958	0	12829	0	0	0	4960	0	0	18322	12942	9161	8172	2200	0	0	0	8929	87165	0	0	45691	0	0	0	2997	0	10743	20196	0	6346	5954	13709	10046	11613	12547	15136	0	6467	2231	0	3369	0	0	5612	0	0	5956	5702	5128	52585	26166	0	44957	0	12699	0	7627	8973	0	0	0	16871	6083	2295	0	23059	0	0	4990	0	Lipid	0.1	1.45	0.05
28	C20 H29 O2 N1	316.2271	316.2274	0.055176917	316.2271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8521	0	0	0	0	0	1471	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	109252	0	0	0	0	0	0	0	0	0	0	0	0	0	247897	10928	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1	1.45	0.05
10	C20 H29 O2 N1	316.2271	316.22757	0.1318181	316.22714	5138	7244	6161	5698	0	1259	3665	30334	0	9514	7111	8600	0	0	4588	203695	7278	0	0	16459	8366	0	7114	91658	14503	3743	5375	5252	16644	14248	18081	11747	10464	13424	3464	15519	16845	5042	3449	4553	0	2254	0	0	0	3133	2693	0	17907	12936	7766	6938	1153	0	0	0	1457	36411	0	0	106609	2561	0	0	0	0	2829	11825	0	6738	6747	17168	14716	16525	11634	11674	0	8087	5327	4760	4285	0	0	4730	0	0	1857	3332	3326	26017	6803	0	32681	2609	12943	0	5662	7969	0	0	0	8313	6451	2547	36676	51615	0	0	4647	0	Lipid	0.1	1.45	0.05
16	C20 H29 O2 N1	316.2271	316.22757	0.3715311	316.22723	0	0	0	0	0	0	0	3592	0	0	1551	949	0	0	0	2593	0	0	0	0	0	0	0	0	1695	4403	2676	3530	4854	5840	5047	9842	3547	6338	0	10746	2533	2103	0	1719	0	0	0	0	0	0	0	0	2739	6088	1948	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1190	0	2481	5183	2647	8398	11916	32435	2504	5053	0	3848	0	0	0	0	0	0	0	0	0	0	0	0	3502	0	0	0	2031	0	0	1674	0	0	0	4363	1915	0	0	0	0	0	0	0	Lipid	0.1	1.45	0.05
24	C20 H29 O2 N1	316.2271	316.22754	0.21687418	316.22717	3763	3238	2440	2606	1379	954	1474	2874	0	1988	4065	1475	0	0	1414	6913	2929	0	1347	1802	1899	5571	1539	3880	4777	19114	0	3400	1519	3074	0	2602	2547	2470	0	1952	1136	2530	3535	3121	7021	1717	0	0	0	3186	7520	0	2870	3837	4698	2423	1542	0	1573	0	0	4533	1121	5748	4402	2210	0	0	0	0	2044	3244	9066	3667	7941	1966	2853	2691	2580	2283	0	1100	3409	11703	2086	4044	2865	3967	0	0	8734	1911	0	67697	10637	5727	7637	8007	4829	0	3127	2727	0	1261	0	2015	1609	4099	2206	4016	1223	0	6271	0	Lipid	0.1	1.45	0.05
6	C14 H29 O3 N5	316.2343	316.23462	0.19345762	316.23438	0	0	679	1039	0	0	0	17165	0	0	0	0	0	0	0	2363	0	0	0	0	0	0	0	0	0	0	0	0	895	1361	23598	0	869	0	0	6517	1465	0	0	0	0	0	0	0	0	0	0	0	0	0	938	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	842	0	809	0	31093	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1015	0	Peptide	0.21428572	2.0714285	0.35714287
6	C17 H33 O4 N1	316.24823	316.24896	0.046829302	316.24826	0	0	0	0	0	0	563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	743	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	919	0	0	0	0	0	0	0	0	0	0	1491	0	0	0	0	0	543	0	0	0	0	0	661	0	0	0	0	0	0	0	0	0	0	22972	0	0	0	0	0	0	0	0	0	587	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23529412	1.9411764	0.05882353
26	C17 H33 O4 N1	316.24823	316.24854	0.17732039	316.2483	2018	0	2855	1921	0	0	8398	0	0	0	7698	0	0	5206	0	0	0	0	0	0	0	0	0	0	0	5925	4493	37039	0	0	0	0	0	2156	0	0	0	5199	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3791	0	0	0	0	0	7917	1686	3354	0	0	0	0	0	0	0	0	0	0	0	1974	42729	0	0	0	5081	0	12162	10302	0	0	0	68636	47684	0	12257	0	0	2478	0	0	0	0	0	0	0	11156	0	0	0	7237	0	Lipid	0.23529412	1.9411764	0.05882353
22	C17 H33 O4 N1	316.24823	316.2487	0.35464028	316.24835	3037	2211	5709	2022	0	1422	56181	7872	0	0	0	6803	0	11644	3682	1899	5914	0	0	0	0	4257	16286	0	2391	0	26967	4759	1766	6071	0	0	0	10475	0	3923	0	2622	2306	0	1581	1418	11346	0	280	0	1516	0	2457	13914	2151	2725	0	947	0	0	0	2107	0	3650	4874	0	3539	0	7420	2131	1790	2197	0	0	0	4055	3890	22701	2575	4102	0	3387	40458	17997	20730	2418	11420	16114	0	0	7884	0	0	62058	17297	3132	25556	0	0	0	3702	5482	0	0	0	2431	5534	0	2363	1726	0	0	2825	0	Lipid	0.23529412	1.9411764	0.05882353
8	C17 H33 O4 N1	316.24823	316.24857	0.57532555	316.2484	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	766	0	0	0	0	0	0	0	0	0	0	0	1002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1050	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	58571	0	0	1580	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23529412	1.9411764	0.05882353
26	C18 H37 O3 N1	316.2846	316.2849	0.22024661	316.2847	38919	25667	38029	35325	2175	2918	6580	0	1983	0	0	3715	0	2796	11587	0	0	0	0	0	0	0	0	0	155785	308394	7368	10264	0	0	0	0	0	0	0	0	0	55165	2334	0	0	0	0	0	0	0	0	0	0	0	31886	31769	0	0	0	0	4830	0	4702	0	0	5517	0	0	136355	0	3029	2618	17889	0	0	2818	0	0	0	0	0	3081	30375	25946	14094	17834	229741	176534	601978	4437789	66652	3068	0	1501	0	0	0	23965	0	0	35742	34297	2580	40810	48345	0	3971	0	5718	0	247823	0	487654	0	Lipid	0.16666667	2.0555556	0.055555556
24	C18 H37 O3 N1	316.2846	316.285	0.20975573	316.2847	18969	17541	17672	19415	16884	60914	92747	7207	3817	86777	2851	4591	42155	21002	3071	28274	43918	12786	11454	12301	10682	4891	2443	11855	2232	26842	39094	2241	3951	49138	12844	34436	52137	10259	4860	21984	16199	5220	18075	12113	25737	33153	15392	5084	0	20016	39608	0	79060	153768	18657	20471	3842	35797	3325	5361	11164	12020	3818	252337	12403	5796	22665	1529	5997	33295	2058	83531	3721	2564	5022	12362	4536	10376	8782	122232	9109	3367	0	2403	1743	0	1676	120379	8867	3168	2354	48056	2482	66831	14205	4798	97941	2503	84717	4123	19103	20036	10833	1523	0	10094	2976	9020	3640	8880	1027	0	1947	136432	Lipid	0.16666667	2.0555556	0.055555556
22	C18 H37 O3 N1	316.2846	316.2851	0.172925	316.28467	0	0	0	0	0	0	13566	0	0	0	0	0	2728	0	0	0	0	0	0	0	0	0	0	0	0	8007	6103	2689	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1728	0	1250	0	0	1456	0	0	0	5123	0	0	0	0	0	2273	0	0	1527	0	0	0	0	1493	0	0	0	0	0	0	0	1043	1478	0	0	0	0	0	0	105435	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.16666667	2.0555556	0.055555556
22	C19 H41 O2 N1	316.321	316.32153	0.1840194	316.32108	0	0	2696	0	0	2913	3425	1942	0	0	2706	3008	1817	0	7048	0	3018	0	0	0	0	0	2160	2218	16719	56965	6238	15997	2150	1647	2671	0	0	0	0	2345	1832	2426	1893	0	0	2750	3958	7475	4220	1657	1505	4085	0	3336	0	0	0	7519	1518	2055	0	0	2005	2682	0	2482	0	0	3555	0	2540	0	4240	0	0	2567	2316	2365	1633	1441	6645	2528	2126	2838	1130	0	1812	433076	0	3256	0	1219	0	0	0	0	1742	1510	0	3997	1734	1335	0	0	0	0	1295	2098	6626	1433	1314	5948	1310	0	Lipid	0.10526316	2.1578948	0.05263158
24	C19 H41 O2 N1	316.321	316.32135	0.3079102	316.3211	3815	4093	3559	4772	4408	2239	3633	0	4994	2054	5339	4830	0	6810	0	0	1349	1333	0	0	0	3223	3137	1531	0	0	4113	7157	1274	1902	2157	4908	2415	3524	0	1628	1422	4310	0	3289	2228	3307	5477	6409	7514	1451	0	14154	3626	0	3526	2491	4483	0	1882	3061	6466	3731	3608	3864	1426	2792	1934	2797	4584	3244	1700	4350	1186	0	4100	2933	3611	0	1570	5426	0	4365	3560	0	4672	5479	3650	103708	0	0	3796	5442	7372	1946	2907	1258	0	2401	0	11718	3022	1311	5841	6253	0	2433	9202	0	1701	1059	2441	7930	4041	0	Lipid	0.10526316	2.1578948	0.05263158
16	C15 H8 O8	317.0292	317.0297	0.30301914	317.0293	4062	2453	2585	4410	18053	6644	0	0	11734	0	0	2062	24945	12471	3669	0	0	22845	21483	0	0	2082	3155	0	0	0	998	0	0	0	0	0	2977	0	0	0	3542	3971	0	0	0	7094	427	0	336	1058	0	695	0	0	2429	3411	9326	0	16137	11829	6279	0	1740	0	0	0	34091	13249	5340	28255	4591	0	0	0	0	0	0	0	0	0	0	1377	6666	0	6718	0	0	0	19266	9578	6470	8220	6055	0	0	0	0	3963	2646	0	2867	3191	7897	19691	15334	0	3451	0	0	0	12559	0	0	27416	Phytochemical	0.53333336	0.53333336	0.0
14	C15 H8 O8	317.0292	317.0297	0.3010288	317.0293	7574	3093	1928	4402	19553	8093	0	0	13938	0	0	2961	24348	7543	1619	0	2198	24480	16231	0	0	7199	4675	0	0	0	0	0	0	0	0	0	3120	0	0	0	2895	1812	1160	0	0	4052	0	0	0	0	0	377	0	0	3392	3569	10939	0	13692	11695	10257	0	0	0	0	0	33551	21563	7540	22762	8706	1504	0	0	0	0	0	0	0	0	0	2764	6005	0	5243	0	0	0	20176	7207	3718	7198	8532	0	0	0	3682	3148	0	0	2198	0	6700	19910	15288	0	2033	0	0	2413	9445	0	0	25238	Phytochemical	0.53333336	0.53333336	0.0
18	C15 H8 O8	317.0292	317.02963	0.31560534	317.0293	3358	2597	2125	3907	8085	7705	2579	0	9484	0	0	3118	16511	9409	3936	2158	1612	15169	15636	0	0	2521	2566	0	0	0	1466	0	0	0	0	0	2625	0	0	0	0	1674	1532	0	0	5306	805	0	616	0	0	926	0	0	1927	2223	9662	0	12257	10203	7411	2015	0	0	2455	0	28079	11556	6782	19648	2831	2190	0	0	0	0	0	0	0	0	387	2449	10234	0	8491	0	0	0	18654	9364	7045	10207	9250	4883	0	0	0	2141	1605	0	2562	0	8504	17801	14524	1956	2504	0	0	1858	5158	0	2550	17934	Phytochemical	0.53333336	0.53333336	0.0
26	C16 H12 O7	317.06558	317.06598	0.29328305	317.06567	7460	9049	8942	8327	17573	8490	2015	0	14737	8140	2739	4485	27136	9873	0	5725	0	24689	22611	0	0	17147	8596	8705	10173	0	2373	0	0	0	3562	0	4758	2378	7922	0	8316	6227	4276	3627	6031	0	0	0	0	5455	0	0	3677	0	9710	8217	11846	0	20204	13271	4789	8686	3272	3388	6813	2910	27527	13780	5371	22450	7933	3396	0	3587	4143	0	2586	0	0	0	0	4441	14628	9897	10497	5551	0	0	23763	11096	8726	7373	8492	5647	4289	4475	17035	11143	13549	0	7321	10863	9473	17555	17826	6107	3093	0	0	10939	9890	0	6401	30051	Phytochemical	0.4375	0.75	0.0
24	C16 H12 O7	317.06558	317.066	0.30399954	317.06567	11127	10304	8742	7905	22425	10180	3276	5959	20713	9175	4912	4240	36649	12571	6301	6333	5046	28850	30356	3202	3792	16564	8590	5184	3806	2242	2432	1747	3359	2585	3914	2589	5673	3774	10884	1484	3820	5329	8555	4154	9982	4812	1768	0	0	9054	6566	2249	4502	2376	8129	11176	15014	0	28760	20720	8979	6170	3174	2915	6697	3732	35229	24906	7327	24498	8784	4916	5915	4701	5250	3094	3749	2075	5094	5398	0	5242	20038	12280	17577	4242	2752	5571	30937	10161	12223	9327	7131	5814	3857	6704	4656	16625	18785	1909	8411	9309	11272	25106	24074	4114	4469	4928	2888	4080	14927	0	7634	39874	Phytochemical	0.4375	0.75	0.0
12	C13 H16 O7 S1	317.06894	317.0695	0.30781233	317.06906	3754	5890	6470	3563	10108	7130	0	0	6675	14869	8275	1252	11451	4086	0	1920	0	9221	11274	4568	9219	10260	1333	0	2082	2242	0	0	0	0	0	1487	3130	0	17301	0	2963	2064	2139	8373	7481	3853	0	0	0	3513	6088	0	0	0	4317	3304	4571	0	8055	7465	3265	1896	0	0	0	9425	8677	4548	2853	8876	2957	0	0	3700	5033	0	0	0	2730	0	0	0	1427	0	1382	3494	2942	3978	6499	4442	1647	3161	3256	0	12000	24183	1994	12714	24892	0	5146	5735	6902	10879	9268	3036	0	3328	0	0	6535	0	0	14192	Organosulfur	0.53846157	1.2307693	0.0
14	C13 H16 O7 S1	317.06894	317.0695	0.37378335	317.06906	100409	101504	83672	87946	144734	90682	43451	41602	160005	163752	119216	38171	231821	76939	53577	58529	39959	234397	214314	110378	129394	176280	78885	53696	40869	48490	42887	74235	34206	32208	35721	36417	72352	32923	216439	28334	72141	53587	48237	92128	111444	70481	2829	979	1334	63740	76651	1785	42633	28214	94533	86593	118353	1271	166972	120402	78983	80042	54304	46656	85360	69976	229039	157314	66812	189221	86456	43238	63778	74445	100092	31754	25246	20203	33783	34235	1254	42903	116371	131815	88962	57170	35694	49315	151723	94110	108028	98744	104424	81930	82702	98104	79302	153241	172232	2004	102381	90232	122831	155675	159225	76086	41230	61125	39581	56492	116029	1017	43425	220351	Organosulfur	0.53846157	1.2307693	0.0
16	C13 H16 O9	317.0867	317.08728	0.45063376	317.08685	7427	5898	3516	6333	9274	8575	2147	2599	25711	3052	3396	4096	25257	6307	2892	2925	2398	15408	17671	3299	2643	4802	5081	2325	0	0	1000	0	3677	3009	0	0	7941	3259	4242	2960	3143	6047	4109	1890	3061	4571	455	0	578	2946	3607	0	4894	2090	4514	5814	9416	0	17866	10105	6810	1952	3229	4258	0	5448	27685	23943	3893	13969	6247	3918	0	0	0	0	2299	3290	1843	2573	331	2073	2366	0	2099	2103	1682	0	9536	2821	3743	5083	8322	0	0	2503	0	4640	2177	0	5654	2216	9671	9028	10006	7090	3056	0	0	0	10822	502	2024	31449	Phytochemical	0.6923077	1.2307693	0.0
4	C13 H16 O9	317.0867	317.0873	0.24517985	317.0868	2292	2839	2828	3194	8276	2438	1551	1786	6924	1930	0	1360	17982	4228	1592	628	2147	9248	10563	1325	1455	1474	2173	1689	770	0	0	0	0	718	1164	1193	2254	1625	2035	1140	1894	1623	1987	0	1052	4243	0	0	0	0	0	0	1812	858	3727	2244	4776	0	7925	12741	3068	1395	1712	1707	1896	0	17139	8317	3790	8837	3696	0	0	0	0	1863	1174	1825	0	756	0	1460	1937	0	1436	0	497	0	12033	3376	3092	2805	4065	1777	0	1359	2585	0	0	0	3845	3074	6564	30884	19149	2370	1033	1701	0	1960	7694	0	0	15433	Phytochemical	0.6923077	1.2307693	0.0
2	C12 H16 O8 N2	317.09793	317.09863	0.35576946	317.09805	3169	3745	2854	2804	5954	0	725	4269	4816	832	0	2312	9877	1571	1315	0	1336	8655	7923	1087	2419	3598	2839	4441	636	0	0	0	3021	2106	3655	2486	7666	4037	1228	4422	5315	1079	1496	962	628	4412	0	0	0	1027	604	0	4440	1618	4874	4144	5563	0	5500	2438	2015	4163	671	520	909	437	13387	7352	0	8305	6635	1785	0	0	0	2687	3817	2292	0	2608	0	1751	1200	0	1231	0	515	281	2345	992	1600	6289	7113	0	0	874	5312	0	0	0	4067	3704	1488	2124	2857	3751	2098	1695	390	6900	1670	0	1698	20763	Unclassified	0.6666667	1.3333334	0.16666667
6	C12 H16 O8 N2	317.09793	317.09857	0.38881698	317.09805	4656	4849	3868	4011	6407	4126	1829	2568	9300	2245	2220	5116	13636	1638	2883	3782	4637	11326	10815	0	4086	3192	4181	4545	0	0	0	0	3647	3411	3239	3936	7121	3439	1948	2417	5545	2415	4636	0	2033	5954	0	0	0	0	0	0	3969	2123	5776	4063	6986	0	11162	5722	4789	4458	2440	2458	5462	0	13944	8968	4470	10318	7037	6814	0	0	0	4311	3597	2170	3221	3045	0	2180	2664	0	2998	0	1281	0	7952	3293	2566	10908	7715	7819	0	2383	7771	1164	1357	0	5599	5280	4343	5164	5962	6727	2796	2160	0	5930	5937	0	2122	20483	Unclassified	0.6666667	1.3333334	0.16666667
4	C21 H16 O1 S1	317.09946	317.09998	-0.044731688	317.09946	1053	1248	0	0	0	0	1532	0	0	0	0	0	0	0	0	5375	0	0	0	0	0	0	2622	45168	1134	0	1306	0	0	0	0	0	0	0	0	0	0	1121	1879	0	0	0	0	0	0	7843	0	0	0	0	1225	1097	0	0	0	0	0	2780	0	0	6423	0	0	0	0	0	0	2069	0	0	0	0	0	281	3145	0	0	612	0	0	4396	0	0	0	0	0	0	0	0	8440	0	0	16820	0	0	0	0	0	0	0	0	0	0	0	0	29086	0	0	1798	0	Organosulfur	0.04761905	0.7619048	0.0
10	C8 H17 O4 N6 S1 Na1	317.10025	317.1008	-0.31678924	317.10016	2171	1723	4406	2211	3376	1944	2226	0	2251	4679	2741	1863	0	4702	1266	1731	0	2531	1862	4484	2176	0	0	0	0	8338	0	0	0	0	0	1944	0	1549	2013	1128	1512	1779	1326	3598	3536	1347	1393	0	0	0	2298	0	1435	1818	0	3699	1961	0	0	1991	2505	2491	2799	3066	0	4543	2062	2772	0	3738	0	0	0	6785	9455	1203	1051	1124	22642	1078	0	1422	2126	0	1616	2908	1880	2618	2642	1715	2648	1951	1487	2277	0	0	0	3340	0	0	0	1190	2609	2752	2396	0	1261	0	0	0	3435	0	1271	1537	Organosulfur	0.5	2.125	0.75
18	C14 H20 O6 S1	317.10535	317.10577	0.10067318	317.10538	6377	5342	4355	8387	8557	6207	2774	0	5856	8670	5425	3064	21090	5563	3455	5777	3973	13235	12233	7572	4766	6854	6690	3040	6669	2036	4735	3553	5481	2493	4958	5488	6691	0	5499	3931	10112	4496	4777	9397	3308	5785	0	0	0	4276	2193	0	6671	3746	4849	9727	6151	0	7450	8431	5891	10729	8347	3311	5854	5748	3440	5874	3884	15838	5831	4347	2289	0	2059	2144	3995	2469	4516	0	0	2430	4456	8273	2390	3641	5116	4235	7704	5741	7586	6660	4759	7272	25996	28946	7204	5317	10346	0	8282	7161	5722	18239	21998	6713	2922	6740	5134	8457	10211	0	5131	8072	Organosulfur	0.42857143	1.4285715	0.0
12	C7 H17 O3 N8 S1 Na1	317.11148	317.11176	-0.076348476	317.11145	125751	141894	135097	152328	104436	109871	193960	150100	95184	162931	121395	133047	80297	57011	120433	159497	328023	116224	162497	140292	185890	192588	166926	166920	115520	131008	146937	98253	153369	108570	156818	118880	236199	152015	180749	118858	176611	152615	371802	161200	241101	112482	1313	785	469	123567	123331	416	155981	143535	136997	142380	117810	637	101511	56906	83702	169861	73069	101911	132038	123899	93192	91024	67676	120164	119354	404919	175217	216500	285246	115218	114359	76265	137120	111897	391	129772	190119	106246	197045	89405	77359	104160	76734	83353	200732	147832	134609	340281	101589	137462	249872	151155	135354	725	134678	146685	80162	74276	77995	173136	131646	75315	52546	202781	81715	354	176304	124843	Organosulfur	0.42857143	2.4285715	1.1428572
28	C19 H17 O3 Na1	317.1148	317.11523	0.385707	317.11493	1208	1084	1302	0	0	1498	1999	0	0	1176	0	0	0	103492	0	0	0	0	2228	0	0	0	0	0	0	0	10078	1541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1435	1803	0	0	0	0	0	0	0	0	3851	0	1821	0	8319	0	8375	0	2281	0	1346	0	0	0	0	0	0	0	0	0	0	1105	0	0	0	0	0	0	0	0	0	1314	0	0	0	0	0	0	4684	0	0	0	0	2566	0	0	0	0	0	2353	Phytochemical	0.15789473	0.8947368	0.0
0	C13 H20 O7 N2	317.13434	317.135	0.16473642	317.13437	11562	12008	10341	11229	12808	30907	2082	20241	10836	3756	0	6336	19520	7585	5594	3495	3134	28940	19390	4658	7569	13714	8970	14517	4871	0	0	0	22636	7643	17442	18940	29047	20740	9096	20241	19583	3871	4105	3840	0	17243	0	0	0	6184	0	0	21178	10362	12969	10313	16741	0	12901	5827	3910	23975	3465	1235	7249	775	23683	16174	7698	19081	23031	5136	0	0	0	22104	27629	15874	0	16832	0	11468	2623	1076	2262	0	0	0	3552	2944	3130	17414	20201	4673	6444	8566	20722	1473	0	0	14264	12474	4643	2928	3218	17891	0	8012	0	24819	4651	0	2110	41437	Peptide	0.53846157	1.5384616	0.15384616
12	C17 H20 O4 N2	317.1496	317.1501	0.13316599	317.14963	143376	142671	139582	135387	61755	70003	150244	170658	61604	144533	109809	83115	44087	75271	100693	190481	199390	67207	91741	180870	197950	160714	104177	201988	125318	166054	143229	103468	141412	129698	140401	155183	225084	153511	167108	136386	194593	106121	234200	168179	213359	86889	1153	360	0	146450	139937	0	181394	155057	142661	139594	114477	515	56564	40130	50044	190579	52220	97300	149911	91895	42158	48002	40457	71452	75785	238648	111174	243052	281903	140629	126748	126521	140362	125744	219	96049	128803	104222	126472	71611	76286	124140	38391	50483	137804	98082	86240	319871	144758	119536	299017	114940	154021	571	135077	160764	45217	41546	45770	204114	88665	112958	69576	196965	46468	0	143791	69936	Phytochemical	0.23529412	1.1764706	0.11764706
20	C17 H20 O4 N2	317.1496	317.15002	0.24477433	317.14966	24226	27820	29853	28051	24272	15193	26214	30045	17649	20859	24001	18313	8411	18163	22849	38501	42138	15485	18584	20084	20626	32395	20000	56285	33556	14774	21880	48050	34105	25483	30068	32800	44067	34061	26206	20877	49436	23486	44513	28325	44619	20767	1337	0	357	21480	20568	0	33232	27953	28536	28469	31951	228	14543	10639	13811	40602	13209	27277	31672	16635	12483	10169	11442	17910	21618	52148	18163	19491	28108	25122	21115	15678	20652	25209	0	21669	39880	35164	32593	16462	21272	18094	11658	17838	37460	37980	25071	74422	80892	49024	68532	21619	24574	612	30654	25693	18975	13036	12286	54399	17683	25777	15897	50602	20144	0	46023	10513	Phytochemical	0.23529412	1.1764706	0.11764706
6	C17 H20 O4 N2	317.1496	317.15018	0.19622032	317.14966	88293	97813	88170	84584	38856	39124	54631	100051	31651	167935	80453	55320	33678	25126	59456	101242	76778	51729	61713	187486	193129	105404	61702	104127	61391	174157	57796	79847	81844	81479	89018	95165	113522	89533	168991	85521	113586	54191	97312	118242	126890	50045	0	0	262	105931	116700	0	110371	83069	89634	93634	45649	245	36994	18779	25663	95164	15192	44027	98772	72209	38410	32315	24721	39157	51135	110919	125202	243536	257309	88523	81971	70612	63040	74594	0	53607	58226	67204	55037	37387	35914	91281	27363	26544	61087	57890	52980	123278	106956	71330	140043	83008	156777	0	85261	80903	23085	19113	25416	110361	49888	116844	52483	90632	25095	0	61347	42130	Phytochemical	0.23529412	1.1764706	0.11764706
24	C17 H20 O4 N2	317.1496	317.14996	0.30947754	317.1497	4371	3421	3351	6540	3708	3534	8994	7418	2889	1907	0	10993	0	5053	7561	10653	13571	3728	2550	0	0	1793	3137	13193	4155	0	10811	1486	5552	6652	7889	6564	12676	13064	1643	15239	13736	3840	27062	0	1349	3600	0	0	0	0	0	0	12381	8590	2860	5426	10741	0	2607	1518	3678	8347	0	1191	8764	0	0	3447	3308	1456	8921	15977	0	0	0	5624	5996	7322	7775	3687	0	8729	5431	1320	3900	986	1712	0	1435	3616	10629	9331	4736	8049	7014	1624	13778	1272	1921	0	6464	2970	2849	1760	1849	12008	2707	0	0	34345	5361	0	8874	2251	Phytochemical	0.23529412	1.1764706	0.11764706
18	C17 H20 O4 N2	317.1496	317.15	0.1967	317.14966	104766	91126	94463	98898	46254	36614	115664	125019	34624	60884	70324	74424	21096	39100	81792	272039	145003	25454	51578	66701	57509	73446	92469	216203	114464	52266	101735	164182	93558	119088	95228	105637	116661	109133	48236	101806	129982	80401	163368	67650	87255	67344	1760	428	312	56038	46793	645	136333	112500	99154	90268	55637	417	38606	30587	63484	181421	28105	39289	186493	42313	19547	28694	58233	37402	61704	242613	49497	76250	95373	93627	66542	65856	98302	86698	0	69545	132526	101604	127000	36612	33069	44642	40326	72166	172654	108295	61859	637626	89315	68340	372827	50346	61792	1123	89536	86133	56522	30973	38262	163208	73111	52767	20979	192067	51908	650	190336	30977	Phytochemical	0.23529412	1.1764706	0.11764706
22	C17 H20 O4 N2	317.1496	317.15002	0.25061777	317.14966	30912	41102	33818	29435	57703	23625	30275	27989	29726	13238	26921	18626	16979	48816	20968	76881	115106	43986	52623	7164	7936	27373	24982	108100	62734	3860	31604	27647	39090	27105	28310	43223	130206	28872	11457	27552	85177	21729	99349	5862	8006	29801	0	0	0	22049	3408	0	35211	22930	37475	30810	59935	461	29402	19362	23187	84272	3305	5620	68100	4703	30455	18523	26062	40948	35305	133953	1483	6764	7269	20482	23624	17423	34444	26191	0	20968	32054	13810	33619	4326	4249	2314	19567	37839	44952	91526	55558	113452	42022	18773	126338	8009	5675	0	29975	34618	29873	19058	16670	124902	27863	10484	3743	149472	31013	0	47229	24856	Phytochemical	0.23529412	1.1764706	0.11764706
8	C17 H20 O4 N2	317.1496	317.15012	0.16829343	317.14963	116747	121842	100733	113611	46009	53466	78081	131149	36732	202579	120741	70529	33459	31538	74548	147556	167908	50790	77594	243765	239948	144188	72410	157793	84729	192194	89962	106417	120466	114597	104737	132443	128333	117607	227653	115297	147882	72464	185998	181827	170723	79676	646	0	0	131303	136800	0	158930	113177	112693	119786	61139	0	36647	22175	43390	122810	23073	60351	136846	92303	34231	38907	36026	53509	67198	188668	155177	278141	294029	115463	115981	88687	127884	103532	0	74088	102006	99828	82258	48036	39398	125177	29729	35550	97029	84648	71062	217513	121131	85654	186741	113028	180080	386	109800	116372	31122	25751	27577	137741	68600	133098	46086	123025	25009	0	87772	39331	Phytochemical	0.23529412	1.1764706	0.11764706
10	C17 H20 O4 N2	317.1496	317.1501	0.13833018	317.14963	131377	124607	122953	119593	66675	68712	85651	147488	60191	185812	125130	85650	41962	56151	79700	177873	150462	70755	103008	221663	224077	161226	95381	194583	103120	225949	107173	120442	117335	120863	119076	137150	182142	124802	203075	110796	184470	87252	175855	194594	194212	88399	1248	0	0	144132	160478	0	158919	123215	124172	132208	85795	0	53979	31000	46377	161993	35780	75322	183881	94483	38015	52131	43007	63920	88587	204015	189477	299897	309987	128532	109592	95322	123703	106923	0	81488	135044	103886	117050	57920	50458	121571	46141	42459	143523	105150	88028	279832	130500	89580	244092	117355	183697	568	132364	128364	44041	39752	39476	161918	75225	136303	60165	156079	43331	0	112459	44636	Phytochemical	0.23529412	1.1764706	0.11764706
18	C15 H24 O7	317.1595	317.1599	0.27599773	317.15958	20928	18201	18291	20671	25547	27644	20540	23568	33194	8900	6781	9503	44104	22293	20659	15325	5891	35578	45456	12278	6211	6589	12767	10146	26159	0	10971	16655	48928	28290	27232	25502	39921	36624	8995	28677	39988	18735	7244	3606	1866	18336	2173	487	797	6477	0	850	33174	15053	18828	17591	30579	982	75020	19934	16895	17661	18129	1491	16041	5165	24976	25193	18103	29503	30702	7504	0	0	0	25064	25452	37792	9922	25142	485	19053	7197	8063	5067	4545	21694	4385	14338	18728	11893	13951	25797	6863	26286	28741	15755	2328	2037	666	19249	17330	13782	16634	16466	34340	16526	21321	5342	15892	20339	709	9421	30035	Lipid	0.46666667	1.6	0.0
12	C15 H24 O7	317.1595	317.15997	0.16407847	317.15955	13043	10606	13129	12451	11423	14206	31644	24099	10001	4494	5272	11260	16010	13468	23835	18711	13563	17033	18463	7085	5097	7982	13649	9669	17167	3409	14768	12116	27084	16314	18137	20885	28859	22186	6695	19912	17842	18167	16611	2803	0	13543	1569	0	0	7923	7883	0	20194	17431	14059	10465	13928	441	24409	15495	9826	17268	9841	0	24207	2541	17043	14392	13586	16753	16569	13776	0	0	0	16489	17583	25998	7799	15250	421	13586	15199	0	8232	6866	28059	13514	14023	12119	18547	8542	13277	20726	11671	14770	21779	5044	6095	0	17911	16541	10840	23410	30449	18641	15117	12967	0	15236	14141	0	10068	18301	Lipid	0.46666667	1.6	0.0
20	C15 H24 O7	317.1595	317.15994	0.24714851	317.15955	10248	14539	14780	11888	8633	9703	13088	41950	5575	6413	4350	9643	11621	5816	32946	13567	0	10441	15126	6919	2515	5019	18546	26499	28436	0	4773	4189	40423	34908	43326	47409	34079	34612	4427	40921	35475	20306	0	0	0	6196	878	0	0	5491	0	731	32158	35112	13754	14002	9773	470	20604	7056	5046	21246	7373	0	19289	1865	8174	6981	4993	8875	10250	2979	0	0	0	43193	38583	62404	3666	32402	492	28036	7326	2520	7540	0	6672	0	5847	7651	7103	6278	9777	0	13031	9066	17572	2653	2316	0	13819	11343	5920	3334	4771	28140	20924	4838	3064	19206	6857	0	9261	11800	Lipid	0.46666667	1.6	0.0
16	C15 H24 O7	317.1595	317.1599	0.2157793	317.15955	15504	16761	24072	17936	25686	24758	22791	23589	21922	8491	9012	11854	40735	20530	21227	19064	10551	34944	36646	8481	12657	6577	17630	16103	23555	0	16597	17509	35223	30523	26781	32074	37013	27976	9955	33670	32062	17338	11781	3286	0	18125	2542	834	736	8479	2777	767	35660	17248	23339	16784	26910	1416	48009	25648	14589	25428	12761	4703	21729	2202	30720	26147	18120	37425	28669	9014	0	3440	1747	26463	27208	31894	13622	23675	902	16793	10100	12163	5690	6083	33299	11746	17839	17120	19091	17582	27868	0	24970	25403	0	5348	6983	1191	23425	27138	12003	23472	28150	40816	15143	18002	6417	21297	20962	1069	10649	28138	Lipid	0.46666667	1.6	0.0
12	C14 H24 O6 N2	317.17072	317.17117	0.31379294	317.1708	6977	2726	4395	7102	4178	3612	2936	4119	2964	0	0	1744	1658	2777	5566	6194	3249	3951	4213	0	1353	6150	2618	7452	7482	0	4870	10572	7231	4609	5987	5183	8188	4816	1431	5471	9048	5216	6213	0	0	2265	0	0	0	1417	0	0	5842	1786	6794	2433	2929	0	1375	1504	2373	10446	0	0	0	0	2081	1845	1972	5071	1048	0	0	0	0	6478	3527	3076	2641	3143	0	1689	4303	0	3014	2705	2028	0	0	3311	8100	3034	2761	9799	42809	34504	17087	0	1216	0	2936	3382	2717	2437	2568	6492	2130	0	0	9703	1138	0	2752	4612	Peptide	0.42857143	1.7142857	0.14285715
10	C14 H24 O6 N2	317.17072	317.17123	0.2612677	317.1708	12057	10494	9027	11020	6739	11201	8780	13428	6798	2123	3743	4907	10469	5160	19742	24556	7258	14222	12264	0	2359	9545	10667	17529	21408	0	9851	19782	14622	9460	14811	12631	16329	12991	3815	12556	14818	14793	7208	0	0	7118	0	0	0	4473	2038	0	11994	11418	13380	10859	8236	0	8116	4559	3200	22100	4215	0	25063	0	6533	5387	2892	12858	7331	7639	0	1629	0	15349	11250	13221	6433	10091	0	8540	11367	17718	7686	9223	1849	0	5680	10255	17487	6421	10234	34244	23853	21399	52113	3610	3099	0	11499	8691	5968	3120	4276	11776	4869	5332	0	18154	7080	0	13716	12220	Peptide	0.42857143	1.7142857	0.14285715
14	C14 H24 O6 N2	317.17072	317.17114	0.39869568	317.17084	2483	3656	0	2871	1480	0	0	2545	1153	0	0	1566	2248	2461	1455	3863	4230	4208	0	0	0	0	2672	4776	2042	0	1658	9657	1458	1860	1641	0	3766	4413	0	1633	2440	1358	2627	0	0	1318	0	0	0	0	0	0	2187	0	2156	3212	0	0	0	0	687	9655	0	0	0	0	0	0	1333	1515	0	2169	0	0	0	1655	2868	0	3444	2154	0	1475	2565	0	2952	0	0	0	1509	0	3935	2411	1920	6315	36256	32635	3527	3024	0	0	2664	0	988	0	0	3568	3007	0	0	4918	0	0	4505	2217	Peptide	0.42857143	1.7142857	0.14285715
2	C14 H24 O6 N2	317.17072	317.17136	0.22166726	317.17078	25544	22257	21245	21950	23911	25417	7930	25686	22769	6920	5828	9734	42180	11468	16670	19947	14981	38006	35919	10250	9049	21518	17185	25389	15935	0	6462	6317	24915	15814	24714	23071	34808	23704	13853	22655	33746	11844	16960	5823	2843	19480	0	0	0	9154	4570	0	25908	12148	22490	20854	20238	0	31421	12379	8134	35527	8273	4107	24088	2613	37104	21688	7615	32506	21433	19095	0	2997	1342	24856	23323	19654	4662	16407	0	11270	13603	7635	8427	4011	4450	1586	17190	12418	17604	19155	21667	35248	39073	40546	51960	4770	4436	0	23453	21655	12316	14037	14143	22918	9667	14166	3683	27932	16439	0	11720	56584	Peptide	0.42857143	1.7142857	0.14285715
0	C14 H24 O6 N2	317.17072	317.17136	0.02217408	317.17072	8856	9466	11104	9031	10935	135538	3910	16159	14757	3264	1392	7176	13270	0	6989	0	9422	18719	15791	4309	5828	8896	7748	10212	6178	0	0	4307	19413	6391	11936	14878	21268	11647	9038	19405	19742	6526	8713	2640	1781	16681	0	0	0	4406	0	0	15555	6875	9087	8754	12103	0	14216	5166	3335	22628	4704	2168	4731	900	15301	11567	8652	13028	15948	13062	367	1587	0	13270	19424	13216	0	13254	0	8122	5223	3377	3953	1874	2754	0	7224	7396	6596	10582	14844	8237	10424	8645	25841	2245	0	0	8911	10063	4653	4128	6095	11490	5935	5485	1771	16782	8049	0	5202	27343	Peptide	0.42857143	1.7142857	0.14285715
12	C19 H24 O4	317.17474	317.17523	0.18263	317.1748	166883	188985	171598	175558	73629	55122	181028	169059	76722	94794	97701	103623	55492	50020	106673	241795	216054	67090	100836	133278	103264	168788	113518	197404	125954	119246	231576	82347	129328	164693	122825	173028	140724	101766	100796	162084	132927	123199	257519	93255	141751	78683	9893	8235	7599	114810	157614	10680	178166	180582	178811	178277	72583	6743	98203	80961	76429	209756	101538	137621	178673	62153	78228	64623	55464	58128	72137	262730	136011	129827	149708	100840	106589	155455	244385	185737	5925	102669	160212	72461	138393	102657	124844	70335	100824	72666	163319	69743	81633	288842	161141	143674	197092	84158	145117	9961	170239	164761	94018	116761	136100	178760	104115	148926	71861	143095	83544	7402	145363	64839	Phytochemical	0.21052632	1.2631578	0.0
14	C19 H24 O4	317.17474	317.1752	0.18409443	317.1748	373514	396284	348439	366470	233692	162285	437341	381729	214706	245237	230973	314977	191938	196786	294117	484975	675951	195446	255537	302212	307054	361449	308666	393025	309410	406535	455572	214230	343236	390198	330034	406731	407061	272106	264435	407114	358828	304390	736333	242993	346004	219806	18302	8401	8196	249117	315989	11112	429383	365136	374850	346640	217112	8629	236060	208799	210651	508986	258870	396978	425680	154959	216917	225486	183573	201713	223324	784479	296789	404621	507838	253244	278513	364944	524651	404850	6560	267530	460800	267532	392608	222195	362013	221563	291292	220642	479613	214848	257664	778865	330193	295426	494245	222202	265915	11813	372507	340018	238240	375568	384377	399349	287070	364480	191837	400106	223307	7924	424200	163388	Phytochemical	0.21052632	1.2631578	0.0
10	C19 H24 O4	317.17474	317.17523	0.18068266	317.1748	58450	47084	37992	48278	29407	25012	51557	61532	31766	28553	30836	40444	24779	27406	47101	73168	69270	25168	35595	44407	39354	54988	45867	70702	50333	44610	63412	31955	57283	58323	53458	54724	54740	36149	41279	55068	45826	45350	79700	34493	38403	28926	10855	7556	8757	47482	48930	11117	52582	54432	47808	51671	27218	7594	37153	36809	28255	62220	37542	50994	72254	22450	25115	24150	25167	29705	28093	76144	41283	40932	49489	38099	45915	57402	70371	58569	8074	38540	66965	27676	62663	45707	48029	25175	44280	29988	61980	21797	29050	85421	43396	42927	68971	31522	50181	10819	47602	50809	31043	45022	46697	47374	41037	51432	32498	48677	32979	9179	60498	21999	Phytochemical	0.21052632	1.2631578	0.0
16	C19 H24 O4	317.17474	317.1752	0.1833425	317.1748	696337	802936	701741	747786	581050	432313	783111	793100	472798	582300	525252	609204	474432	446899	616179	1032708	1351069	546134	726800	858785	832753	670361	625149	844369	605005	1256041	794169	469995	706836	798253	741848	868404	870514	614958	665470	818302	776403	592285	1438282	583346	848200	482919	24299	12587	10782	484489	612780	13896	923964	814378	774949	794560	531528	13025	508758	527089	448689	1016332	454152	794612	796455	378068	544257	442027	365664	546227	543812	1273071	982183	1179313	1497402	584690	697800	786868	1105103	839801	9452	497908	903518	546827	670364	451806	680954	556232	688441	453985	922729	499834	552478	1468305	680658	652907	1091170	453903	615879	16937	735827	759174	496752	799681	914613	929976	498853	707982	283270	825282	561844	10645	784462	490192	Phytochemical	0.21052632	1.2631578	0.0
20	C15 H25 N4 S1 Na1	317.17703	317.17758	0.16964014	317.1771	4073	0	6173	0	0	6935	0	0	0	0	3678	1573	0	0	2348	0	1707	17957	15282	0	0	5122	4830	0	5799	2636	1975	1980	0	2393	0	0	7149	2642	2121	0	0	3091	4210	6786	4916	5074	0	0	0	0	3506	0	2482	4312	7452	0	9053	0	0	0	0	3507	3747	0	0	2642	1943	10913	4449	24414	9981	3957	1204	0	0	0	0	0	0	1749	0	3789	3032	6386	2119	1607	8248	0	10881	7074	5238	0	2899	3823	4618	4176	0	0	0	0	0	3597	4700	0	1843	0	0	1502	0	0	0	0	5281	0	Organosulfur	0.0	1.6666666	0.26666668
2	C13 H24 O5 N4	317.18195	317.1826	0.18011376	317.182	9562	9200	7289	6671	2044	17203	1446	3180	904	1562	5423	2845	2937	1465	4359	3366	5473	10615	5604	0	0	3773	3215	4962	2419	0	0	121815	4549	1315	4541	3046	6019	3601	0	2279	4778	3272	6877	0	0	4205	0	0	0	872	340	0	3962	2475	10375	9454	7424	0	1953	713	1067	7413	279	286	2999	0	2246	1603	0	11451	2508	7270	0	428	0	1781	4421	2196	1085	1503	0	2597	2297	346510	2775	0	0	0	1391	1606	3524	2790	3635	8629	199277	100707	7801	31130	597	0	7269	8359	1765	694	702	3735	3181	1079	216	4578	693	0	3813	2484	Peptide	0.3846154	1.8461539	0.30769232
0	C13 H24 O5 N4	317.18195	317.1826	0.091930255	317.18198	5578	5740	4984	7365	2672	12048	4664	7917	2757	0	2019	5416	0	0	4851	2314	16717	3298	3977	0	1910	3103	5016	7261	3791	0	0	50024	10264	3549	8060	6995	18407	8978	2093	5055	8028	6986	18694	0	0	6936	0	0	0	1571	0	0	6049	4939	6887	4390	5385	0	2413	966	2988	8668	945	1918	3821	0	0	2085	5635	5016	7920	17623	0	0	0	7099	5105	6527	0	4353	0	3884	5369	63947	5714	0	0	0	1850	5486	5277	5355	6417	7666	58013	34372	4312	6954	0	0	5527	6354	2879	1079	2434	7183	4021	2074	0	8539	3961	0	4089	4992	Peptide	0.3846154	1.8461539	0.30769232
4	C18 H24 O3 N2	317.18597	317.18658	0.17100409	317.18604	18026	18730	19719	18841	3591	6720	12079	28764	2678	26040	11762	14862	1907	2795	15294	25940	26300	6076	7028	31577	32601	22090	13866	27558	15349	23002	15080	14981	25390	19187	20515	27358	26114	20818	30046	23954	24012	13106	26454	26595	19873	8431	0	0	0	15942	22566	0	30297	25567	17909	17424	6568	0	4304	1542	5443	24324	1981	5169	24627	16046	2658	4710	3491	4548	7376	33619	15403	22774	23144	22386	20439	24275	30443	19087	0	14474	17311	22619	15776	4017	5144	19871	1164	3959	15982	10010	10184	33639	36664	11615	38732	18198	41027	0	18650	21398	3403	800	1172	21852	13549	21119	9054	18376	1336	0	15293	2332	Lipid	0.16666667	1.3333334	0.11111111
10	C18 H24 O3 N2	317.18597	317.18646	0.20606916	317.18604	17197	21726	12802	12432	6907	7198	9291	17212	2068	26107	20295	10280	1679	2574	10469	26748	17324	4016	7617	40177	44209	15110	12293	26663	15561	33196	13454	20465	16740	16483	15097	22587	23989	14683	31106	19600	23683	7322	17399	26677	18853	9356	0	0	0	17440	13854	0	24156	19279	16532	15450	6583	0	1574	805	2256	22890	0	3222	19506	12270	1956	1397	2961	3326	7247	25469	24510	43453	46556	20680	17484	14055	16939	14750	0	10502	9604	17688	10511	2561	1501	17403	2339	2402	10310	12683	8012	35729	42607	1651	38806	13342	35694	0	17881	16832	2390	1428	1278	17175	10338	12961	0	23545	1148	0	11872	2339	Lipid	0.16666667	1.3333334	0.11111111
14	C18 H24 O3 N2	317.18597	317.1864	0.17919703	317.18604	10937	9427	3981	6050	2175	3046	4477	7822	0	13332	10593	3898	0	2511	4065	9148	9994	0	3710	13877	14827	11500	4272	7942	6235	26102	5358	9218	6279	7640	6427	7957	11181	7922	11077	5019	8089	3893	10367	16919	18446	0	0	0	0	8154	12122	0	10990	5012	6815	4991	2742	0	1781	883	1370	7009	0	0	0	5315	0	0	0	1428	5161	13125	21624	22709	33308	5331	5087	4620	8205	7466	0	3228	5845	0	4726	3513	4369	13730	0	0	5692	3032	3344	21300	20157	7469	26732	7517	15201	0	6630	3757	1115	0	1075	8131	1986	8049	0	8362	0	0	5853	0	Lipid	0.16666667	1.3333334	0.11111111
2	C18 H24 O3 N2	317.18597	317.18658	0.14291428	317.186	13415	16234	13283	12172	1085	0	12658	27503	685	15942	10355	12714	584	1183	14389	20634	20696	2293	4864	17717	21190	15097	11178	24816	13740	8841	11239	17177	24704	22496	18082	23949	19630	19693	16582	27129	18434	11688	21786	16836	12854	6801	0	0	0	10297	11295	0	23963	24377	13727	14077	3202	0	1275	0	2432	17982	1292	2652	17996	8529	764	1210	3070	2136	8193	26072	7012	14780	13281	21289	22225	26089	25303	21496	0	13679	11999	27623	12695	3975	7625	13749	466	2751	9066	5847	6848	22253	23045	11753	25271	17501	17391	0	13284	15603	1012	283	401	17139	9975	22870	6732	15676	380	0	14778	1308	Lipid	0.16666667	1.3333334	0.11111111
8	C18 H24 O3 N2	317.18597	317.1865	0.18915235	317.18604	22407	26178	25271	22506	4262	8202	9893	30799	3384	47369	22739	13829	1189	4327	12799	38444	15915	6317	13238	55634	50038	28464	15076	40729	39635	35605	13064	30703	20495	21108	22841	27229	23792	24615	55600	24695	28627	14682	29220	42357	19784	11846	0	0	0	21726	24939	0	31921	23863	21923	22510	7883	0	3336	1057	5968	33542	0	3604	30808	13867	3900	4164	4959	7058	11726	35964	23267	54791	56362	24103	21703	21791	24455	23982	0	14277	19076	29389	11921	2113	2646	25950	1396	0	18054	13637	12471	47791	51293	8798	64283	22557	44860	0	23433	23479	2561	1864	0	27085	13636	24421	0	28628	0	0	20055	4071	Lipid	0.16666667	1.3333334	0.11111111
6	C18 H24 O3 N2	317.18597	317.18655	0.21786328	317.18604	20187	27927	25412	22582	4677	9781	15654	28335	5269	48447	23837	15045	2726	6268	17499	34614	22089	7507	13335	62086	61598	25059	15085	35089	30169	34701	15361	32172	26619	23261	26449	28578	30155	25771	54179	23026	34507	15253	23739	39384	23335	9437	0	0	0	22765	26794	0	30119	25697	23241	23037	7296	0	6863	2378	5672	27439	0	4050	32159	19944	3016	5048	4994	6391	13131	32834	21398	51589	47434	24908	23664	25474	23797	25276	0	13959	14158	23757	13360	3801	4624	27354	2395	4634	15482	12434	11135	39092	57917	10231	58700	22206	50611	0	22487	22044	2918	1339	2378	30044	12175	24592	8355	29624	2774	0	17456	4702	Lipid	0.16666667	1.3333334	0.11111111
12	C18 H24 O3 N2	317.18597	317.18646	0.20970106	317.18604	7470	9108	10710	9380	3965	3166	4528	10671	1213	12812	10141	4977	1179	1665	6074	16155	14578	2335	3633	25344	16813	9505	7061	11841	10893	23353	4704	13845	13434	8068	9337	12390	16762	15976	18118	10766	16442	5349	14578	18492	17155	4499	0	0	0	8012	11256	0	13036	11285	8298	7773	3686	0	1498	0	1654	12309	0	0	0	4439	0	0	2113	2345	5435	16099	0	25029	30164	11075	11839	9302	9600	10050	0	8272	4154	19718	5763	2188	2190	11318	0	1971	4386	8081	6356	20436	22131	2899	22424	7688	19922	0	9061	4995	0	0	1423	13179	6291	8501	0	15065	1680	0	6793	1641	Lipid	0.16666667	1.3333334	0.11111111
22	C16 H28 O6	317.19586	317.19626	0.22962505	317.19592	2258	2375	0	1488	10396	2166	3997	2186	0	0	0	1164	2375	0	0	1779	0	0	0	0	0	0	1292	0	0	0	2452	5548	0	1084	0	0	1266	0	0	1671	0	1052	0	0	4124	1845	2987	0	698	0	2886	0	0	0	1522	0	7210	1002	2983	0	2883	1523	0	0	0	0	2697	2480	4004	7304	9043	0	0	0	0	0	1533	2742	0	1095	509	0	0	13147	0	0	7171	2493	0	0	1555	0	1164	0	32661	15173	0	0	0	0	1475	0	2247	0	0	0	0	0	23885	0	10305	0	1280	2277	Lipid	0.375	1.75	0.0
18	C16 H28 O6	317.19586	317.1962	0.14684376	317.19592	2474	0	1706	0	1620	2131	12441	0	0	0	0	1063	0	3797	3783	0	0	0	2331	0	0	0	3013	1216	2247	3480	9029	2183	0	3130	2067	0	1916	4867	0	3211	2138	2522	2210	0	0	1272	2633	699	692	0	0	812	3493	0	0	3570	0	985	0	0	0	1703	0	0	0	0	0	0	3407	0	4695	0	0	0	0	1949	1498	4943	0	0	602	0	0	8001	0	0	31373	21094	0	0	1806	0	1723	0	5977	4377	0	0	0	1181	2691	3459	2153	0	0	3537	1674	0	2781	1573	0	0	1255	0	Lipid	0.375	1.75	0.0
4	C15 H28 O5 N2	317.2071	317.2077	0.27857015	317.20718	11475	8903	12110	12762	3659	3321	5017	11715	4898	1594	0	3376	5341	6103	6595	18531	2949	3502	6867	1103	669	6362	8377	82790	7385	0	3447	0	16777	5768	8883	43969	11143	40649	1266	25694	9705	6758	4099	0	0	3108	0	0	0	11065	0	0	11886	8112	13038	9668	3330	0	4611	1470	1020	20151	0	0	15141	0	4494	3179	1169	8423	3115	3828	0	0	0	8268	6926	9757	4496	6177	0	4731	39939	10164	5726	393	462	0	1341	5461	108226	262390	4062	13021	13948	10986	15642	0	0	0	9363	13819	1607	1445	1646	11768	4653	1493	0	9651	1792	0	4722	6045	Peptide	0.33333334	1.8666667	0.13333334
18	C15 H28 O5 N2	317.2071	317.2074	0.03728119	317.20712	9825	8223	5218	5878	0	0	1795	42686	2190	10900	2656	5957	0	0	1761	13551	33941	0	0	0	0	0	0	1851	0	0	5348	0	9051	14818	51236	27328	20094	28871	2500	23308	17094	4469	33810	0	2185	0	565	0	0	2618	1374	0	20404	26884	5752	4492	0	5496	0	0	5258	6353	49747	0	13759	3520	0	0	4449	0	0	53929	0	0	0	23757	11599	13988	55835	12249	0	1631	0	0	0	0	0	0	0	0	0	1826	0	0	0	0	0	0	0	0	4979	5064	1717	0	0	79568	2943	14028	52386	0	0	452	0	0	Peptide	0.33333334	1.8666667	0.13333334
14	C20 H28 O3	317.21112	317.2116	0.23298761	317.21118	12921	14543	11414	11287	4228	5963	20660	18550	3458	0	1872	12158	1851	6998	12845	19749	39025	0	3524	5654	2715	7712	10273	6541	17299	4048	26063	0	7935	12307	10822	14075	9037	6785	2383	14683	9980	12668	34335	1859	7123	5614	0	1017	740	7565	10062	1974	14058	14249	12090	12462	7199	948	5466	5114	7132	23521	6344	11557	0	1808	5177	3498	5887	5456	5180	46032	0	3665	6784	6923	7457	14081	18291	10432	761	8016	18846	0	15373	8828	13655	3594	7816	5427	23307	2889	7818	75457	12908	7373	28821	4162	7563	1054	9759	11199	3759	14481	18321	12241	9582	7515	0	18534	10891	865	25138	3108	Lipid	0.15	1.4	0.0
24	C20 H28 O3	317.21112	317.21152	0.1814308	317.21118	988900	1084010	972401	1045867	872547	568799	952471	1889460	622384	692149	824961	825908	695363	718109	1167194	2009340	1830347	689113	1003858	953372	983386	1017347	744831	1359246	1218010	1607110	941011	839511	958982	1311229	1086941	1224739	1074906	923508	806867	1407328	1110170	1095281	1685988	758423	960207	1262599	38274	10013	10056	674485	838547	13210	1180356	1736556	996076	1016258	719793	16303	905109	706650	531101	1668810	586959	780406	1613153	488236	645437	652521	481695	745804	827216	1599158	1087452	1133258	1371934	763403	843847	1065612	1671752	1205644	9499	775428	1169748	1116506	1233275	584441	801699	751298	845189	608164	1427232	613449	751339	2512310	1442670	1339386	1604133	930651	1128440	14942	1033841	1077473	849568	894411	1093798	1432624	724106	1038833	547763	1310909	780361	11374	1485824	555557	Lipid	0.15	1.4	0.0
22	C20 H28 O3	317.21112	317.21152	0.16172996	317.21118	724355	767677	632647	722261	531497	412256	842881	981828	419659	504829	546114	581914	348195	504899	862711	1242826	1526543	446444	544764	581351	625425	717338	522807	877402	923188	1135057	904390	631048	714769	751261	600518	872426	840127	707238	519742	1003956	757291	869668	1582921	446765	689243	1580218	25281	6392	4830	427724	613925	7787	743158	862944	746517	716551	496831	8902	538556	543213	491456	1110741	393823	654534	980255	307410	399253	405932	413910	512034	543656	1470720	746290	843494	1098949	450747	520228	681505	1426683	712803	3431	488962	843331	726957	702991	406061	690250	519101	624335	548088	1209837	507406	515211	2250114	957793	902222	1191971	563717	696600	8752	648707	776770	575253	780528	780597	1127775	562372	635456	367318	871893	553782	5649	1057624	364500	Lipid	0.15	1.4	0.0
18	C20 H28 O3	317.21112	317.21155	0.18260886	317.21118	125178	125456	114482	110059	76603	54561	159461	135905	61727	44234	67191	107115	55212	68102	112958	185771	354323	53301	90237	57317	60041	117025	97152	149510	144943	87159	170438	63359	114950	112870	87277	124014	121809	95762	51486	132448	104740	139190	385045	50903	86890	62604	4454	1475	1499	62717	86930	2205	105053	123321	121325	121621	67187	2335	75046	92351	73853	179013	63444	120523	137449	33504	72832	65608	72037	65151	72026	409618	67991	71868	103040	73569	75628	117124	332828	116302	1415	69870	191969	131975	154565	69684	119091	74923	117074	105255	221776	60236	64019	493324	135314	133923	215244	70508	72492	2256	111956	110150	74950	143132	168498	138568	90331	91849	39655	117885	88976	1478	210207	45659	Lipid	0.15	1.4	0.0
20	C20 H28 O3	317.21112	317.21155	0.19476026	317.21118	330446	365566	346677	318791	221406	171860	463889	395380	178298	214802	212318	313556	181847	222272	347770	533299	1023017	166289	257747	225365	241304	294665	235534	409993	402409	391542	497191	232026	325118	330780	243263	395070	368203	297434	223455	425967	355147	335500	942253	168027	305723	205874	12549	3601	1921	181104	263609	6624	321094	336353	337402	356406	210921	4064	236385	232477	206768	470990	184156	339751	394389	127625	188572	186531	187421	199260	209228	942950	265403	307998	438491	188776	256557	334933	1041576	329353	2213	226826	446333	343878	343224	147824	371166	253908	296653	249984	630768	208215	208858	1211990	413030	371748	566780	214034	232563	5086	327747	353439	220700	358321	453621	494856	282729	278759	161627	378552	240258	3581	569673	165250	Lipid	0.15	1.4	0.0
16	C20 H28 O3	317.21112	317.21158	0.20126958	317.21118	34188	40803	38260	44423	20477	14975	55622	49432	15545	7841	13741	39565	8747	18332	42149	74392	117363	12114	22086	18019	13109	37331	41385	48937	54895	17135	58419	17240	33322	34728	38217	48470	41789	21621	17570	53567	29667	44464	116671	14596	20813	17421	2164	1526	1392	17932	28895	1967	34657	47656	47788	38078	19728	1446	22541	30491	24462	62866	18783	38004	44434	12015	15132	17989	23544	14375	24086	103771	13291	14785	21546	24593	23145	46012	97587	46921	886	31809	66569	39171	50336	27934	44069	15693	44866	26089	84426	15259	19288	192392	54784	45534	76768	24878	19736	1757	38066	40064	19530	43864	56389	48293	31224	28485	13832	50883	32749	1365	81411	6230	Lipid	0.15	1.4	0.0
12	C20 H28 O3	317.21112	317.21158	0.22496773	317.21118	6036	4249	4259	6431	2052	1201	8376	3720	1757	1809	3073	5027	0	7303	2267	6745	2462	0	0	1486	1785	0	2723	5313	6796	0	17517	0	4666	6076	3358	6612	2019	0	1428	6178	2870	2343	11071	0	0	1501	722	921	1202	1999	3942	1771	4248	8814	5150	8706	0	826	2041	2293	2199	5315	0	0	0	0	1751	0	1332	1655	1087	6574	0	0	0	1167	0	1650	13072	6679	805	2252	6247	0	5815	1945	3794	0	3407	2255	7143	1178	1005	24976	5832	3648	6988	0	4480	1245	7222	6014	1789	7403	6794	5850	2192	3682	0	4919	1873	923	7269	0	Lipid	0.15	1.4	0.0
28	C20 H28 O3	317.21112	317.21155	0.18273245	317.21118	69180	63758	65759	62045	67947	32119	75902	103361	61000	34998	39726	44838	60291	57547	88004	90948	103607	47082	88423	46941	43078	56424	56364	64668	85375	59526	70769	62681	83493	86046	66971	89870	86664	56305	44586	115984	75108	96777	101523	36010	40570	93473	8243	5082	9963	45641	31077	6956	72654	84897	64057	67253	56994	12136	71941	86582	52597	107912	52179	34500	89744	32691	42122	44450	41973	67229	77305	102360	49457	45335	47474	38343	49499	89688	71467	70415	10793	46347	88536	67776	68869	36713	55231	38204	95411	53344	184109	42564	46669	225392	86444	84337	103348	55114	43234	6030	70328	66210	128774	140556	174668	119686	44667	63708	40709	87099	96352	5547	81863	31232	Lipid	0.15	1.4	0.0
6	C14 H28 O4 N4	317.21832	317.21872	0.12395864	317.21838	642	0	0	946	0	0	1775	0	0	0	0	0	0	0	0	0	0	0	0	1023	0	4704	2065	7281	1268	0	0	0	0	0	0	2660	4898	2583	0	1698	1603	957	0	0	0	0	0	0	0	0	0	0	0	0	1382	0	0	0	0	0	0	1210	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1497	806	0	5944	0	0	0	0	0	0	0	0	0	0	1081	21171	0	0	0	0	707	0	0	0	2190	1031	0	0	12689	0	0	1234	0	Peptide	0.2857143	2.0	0.2857143
0	C14 H28 O4 N4	317.21832	317.2189	0.21707058	317.2184	0	0	0	0	0	0	0	1610	0	0	1733	0	0	0	0	0	1129	0	0	0	0	0	0	0	0	0	0	33667	976	0	0	1455	5089	0	0	0	2919	0	1340	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	397	0	0	0	0	0	0	0	0	0	996	0	0	0	0	0	0	0	0	0	0	0	0	0	0	89915	0	0	0	0	0	0	661	0	0	1234	58686	21455	1887	7163	0	0	0	0	463	0	0	2884	0	0	0	1626	0	0	0	0	Peptide	0.2857143	2.0	0.2857143
24	C17 H32 O5	317.23224	317.23248	0.17049998	317.2323	0	0	1187	0	0	1152	5842	0	0	0	0	0	0	1637	0	0	0	0	0	0	0	0	0	0	0	0	3116	10002	0	0	0	0	0	0	0	0	0	0	0	0	0	1178	2681	0	0	0	0	0	0	0	1296	0	0	0	0	1204	1377	0	0	0	0	0	0	0	4467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35491	0	0	2374	1267	1449	5500	0	0	0	0	29720	35037	0	2006	0	0	0	1096	1263	0	3262	0	0	0	5440	0	1610	0	0	0	Lipid	0.29411766	1.882353	0.0
22	C17 H32 O5	317.23224	317.2323	0.15041924	317.2323	0	0	0	0	0	0	2348	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1768	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	501	0	0	1002	0	0	0	0	0	0	0	3067	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7590	0	0	0	0	0	3070	0	0	0	0	21044	13008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.29411766	1.882353	0.0
26	C17 H32 O5	317.23224	317.23224	0.181258	317.2323	0	0	2159	0	0	0	5910	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4378	17821	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	58045	0	0	2493	0	0	0	0	0	0	0	58820	77575	0	9336	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.29411766	1.882353	0.0
24	C21 H32 O2	317.2475	317.2479	0.18463406	317.24756	47110	46639	47940	44045	20575	15516	266736	35467	18370	15437	39109	26865	11249	77419	40334	60959	111251	13820	34531	21111	20748	24479	25642	20755	55349	68433	283594	57500	43605	46671	30662	52172	39185	38571	19002	60249	40543	34816	106523	17624	37777	33768	3307	0	0	19293	32427	0	43226	38800	40851	42834	43187	0	25870	24347	30512	56543	19985	41134	51652	17768	35860	13645	63066	41063	74961	105772	32764	27293	46247	21102	35715	53111	74803	45734	0	24717	53100	63861	26566	41202	82061	85001	32968	37631	111898	24039	42138	157076	72704	58618	54660	29159	31299	0	39198	43929	30783	23974	29562	59483	25722	43196	26727	30585	27302	0	57989	14502	Lipid	0.0952381	1.5238096	0.0
22	C21 H32 O2	317.2475	317.24792	0.19889356	317.24756	7327	10741	6834	11448	3994	4076	71078	6970	2479	0	3238	6325	0	9755	7458	12857	40369	0	7546	3149	3021	1730	3822	6509	9431	8785	75041	9470	8261	13850	6579	13724	5704	4995	3913	10989	7842	9580	41078	2390	6339	6455	0	0	0	2444	4594	0	7364	6937	9043	8386	8518	0	2381	3484	6076	15793	2321	9181	11204	990	7064	2205	14110	4968	17693	42465	4150	0	3584	2499	5153	10790	30725	14633	0	4586	13208	11776	7369	5939	31448	31904	4572	10416	36479	3023	9475	52797	10383	9676	15545	5040	2553	0	7765	10981	5783	7774	6332	13529	6720	7092	1572	9543	4490	0	13267	0	Lipid	0.0952381	1.5238096	0.0
28	C21 H32 O2	317.2475	317.24792	0.1998644	317.24756	20392	16970	18317	20122	12070	11804	55060	19586	11922	10602	27952	12248	9991	19875	18921	20763	24303	11308	20619	12788	12040	13718	17674	14336	46321	33620	44353	47775	29384	24776	15384	26737	22548	16666	17439	34989	18557	23544	27947	12642	13346	17557	4912	4598	5894	13632	11674	3768	21875	21386	21289	18205	18956	6691	22734	20417	14362	30290	24326	16143	24079	14446	9616	14878	17293	23185	34712	31791	23593	11270	12662	8425	11780	28218	20085	19046	5571	11670	29626	46995	13371	26896	24476	21656	25080	20898	72204	11265	15155	39693	40467	42052	23715	30779	13426	3730	18454	22892	14416	20675	32637	31219	14427	25473	26300	20814	22092	3516	26040	7475	Lipid	0.0952381	1.5238096	0.0
12	C15 H32 O3 N4	317.25473	317.25507	0.2491527	317.2548	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22200	0	1243	0	0	0	0	0	0	3605	2353	14468	0	0	0	0	0	0	0	0	0	0	0	4236	0	0	0	0	0	0	0	0	0	0	0	3340	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1087	5507	0	16143	0	0	0	0	0	2899	0	0	33039	0	0	79844	0	0	0	0	0	0	0	0	0	0	0	0	49706	0	0	0	0	Peptide	0.2	2.1333334	0.26666668
26	C18 H36 O4	317.26865	317.26892	0.28191292	317.26874	0	0	0	0	0	0	0	0	0	0	2469	0	0	1945	0	0	0	0	0	0	0	0	0	0	0	0	0	3394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2129	0	0	0	0	8931	0	0	0	0	0	0	0	12327	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6338	0	0	0	0	15299	17112	0	0	0	0	4425	4030	0	0	0	0	0	0	0	14035	122173	0	0	0	0	0	33251	0	0	0	Lipid	0.22222222	2.0	0.0
26	C22 H36 O1	317.2839	317.28384	0.30858862	317.284	0	0	0	0	0	0	27059	0	0	0	2073	0	0	8249	0	0	0	0	0	0	0	0	0	0	0	0	30419	4934	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10920	0	2437	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4069	2608	3384	0	0	14753	0	0	3234	1275	2112	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.045454547	1.6363636	0.0
6	C17 H7 O4 N3	318.05093	318.0513	0.03781832	318.05093	0	0	0	0	0	0	0	0	0	0	0	469	0	11393	613	0	0	0	0	0	0	0	526	0	0	0	0	0	0	0	1909	0	0	1371	0	755	0	0	0	0	0	0	0	0	0	0	0	0	0	1094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39376	0	0	0	0	0	0	599	1168	0	0	634	0	0	0	0	0	0	0	4248	0	0	0	0	914	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.23529412	0.4117647	0.1764706
18	C15 H11 O7 N1	318.06082	318.0613	0.31267568	318.0609	25211	20074	21267	18905	25062	15535	9113	9789	19643	30338	21680	8791	45653	12102	8057	23127	10693	44517	37401	10071	20722	61673	15148	25209	5521	2131	8229	8459	9381	5780	9943	7251	17551	7175	26727	4889	17143	11945	16959	21122	47220	17887	1211	352	668	10854	21143	908	13180	8279	20674	19346	20826	399	26126	17462	15166	16176	6281	14478	16861	20950	46128	23292	14095	42563	18579	15544	7037	4443	9305	8440	4718	4057	8883	5591	419	7518	22480	60253	14782	13416	5543	13519	26968	13883	26176	22696	19064	36224	9752	20943	25738	68668	62761	475	19061	18208	14853	23600	29613	8501	7250	13492	7450	17465	13029	476	11663	49452	Phytochemical	0.46666667	0.73333335	0.06666667
20	C15 H11 O7 N1	318.06082	318.06128	0.29123262	318.0609	8639	9696	8089	8787	11877	10065	4824	3635	13407	12853	11505	4095	15586	5468	5008	7976	5745	14343	21186	3110	10611	28364	9315	13619	4603	0	5864	2096	4055	0	3123	1622	7273	4406	11822	3811	7988	3517	9568	10040	25172	5845	1802	0	932	5096	20487	1254	4459	2190	7114	9380	13026	865	13389	7898	8555	8618	3278	5716	5584	10145	19342	16729	2444	18143	7524	5214	3075	2012	3418	5563	2371	0	3225	1626	443	3434	13201	31463	8903	4899	2205	0	14386	6916	12827	13716	10868	28702	7446	8690	13590	36585	20532	605	9584	5608	8173	18609	10556	9870	4540	5589	5260	8755	8641	846	6321	25196	Phytochemical	0.46666667	0.73333335	0.06666667
12	C12 H15 O7 N1 S1	318.0642	318.06476	0.26927885	318.06427	5666	11006	4571	4289	8646	6382	0	0	4839	17124	5262	1613	9457	2541	2913	1798	0	11724	6972	5184	10522	11338	1361	0	1232	0	0	0	0	1142	1769	1362	4499	1371	14536	1125	2829	1428	2889	15994	17651	3908	0	0	0	4561	4387	0	2051	0	3885	6879	7270	0	5412	6110	2456	5048	5688	0	0	12089	5673	3820	2622	7107	1967	0	0	0	2002	0	1472	0	1847	0	0	958	2760	0	0	4192	1300	2078	3903	2069	1974	2504	3372	0	10328	21161	2204	9676	11245	0	7730	3120	5337	5165	2915	1757	1800	4043	0	2617	6066	0	1191	13664	Organosulfur	0.5833333	1.25	0.083333336
10	C12 H15 O7 N1 S1	318.0642	318.06476	0.29861018	318.0643	7597	7109	5156	5730	7365	2769	0	0	7771	11872	11657	1518	10826	2489	1231	3251	2970	7536	7946	9040	10218	13127	1748	2834	0	0	1283	5277	1095	0	0	1538	2279	2021	19012	1735	3902	1413	2086	12193	24674	4287	0	0	0	3755	9770	0	2824	1159	3193	4699	5158	0	6259	7459	2384	2002	3995	11506	0	11448	6147	4743	0	5730	2897	2632	0	0	3558	1375	1202	1406	1232	0	0	946	1135	4972	1578	4306	2856	3483	5554	1932	2561	5036	3321	1180	8509	14599	3774	15063	16927	0	3323	5326	4775	8323	8832	3451	1006	6894	0	3296	5912	0	1033	12956	Organosulfur	0.5833333	1.25	0.083333336
12	C12 H15 O9 N1	318.08197	318.08255	0.3569428	318.08206	0	0	2087	2466	11513	5712	0	0	13481	0	0	0	19645	5880	1313	0	3932	14965	19334	0	3624	0	3807	0	0	0	0	0	2019	0	1474	1366	0	0	0	1188	2092	1177	0	0	0	5210	0	0	0	0	0	0	0	0	0	2460	9567	0	18172	16276	4613	0	0	0	0	0	24256	18289	6876	13974	3509	0	0	0	0	1354	1353	1167	1736	987	0	0	2374	0	1816	0	0	0	16731	4753	0	6029	4928	0	0	0	1953	0	0	0	2357	4910	11083	13589	14943	0	2706	0	0	1509	8927	0	0	28955	Phytochemical	0.75	1.25	0.083333336
6	C12 H15 O9 N1	318.08197	318.08258	0.3773208	318.0821	4967	3866	2956	4559	13388	4596	489	1465	11408	0	0	2638	30114	4197	1334	0	2678	17230	16193	2519	4333	1631	2544	1970	0	0	880	0	1296	1287	1753	1437	3606	1870	1874	1826	1910	1413	2877	0	2509	6587	0	0	0	0	0	0	1893	1772	3202	3645	9174	0	15036	17043	5089	1785	1805	0	2534	0	22924	16628	4584	16670	6027	2289	0	0	0	1857	1553	1372	2620	1148	0	2238	744	0	0	934	713	0	15669	4270	1379	8544	7749	1756	0	0	4606	1146	1754	0	4298	6409	8588	15769	22069	4137	2397	1653	0	2316	11350	0	509	29664	Phytochemical	0.75	1.25	0.083333336
8	C12 H15 O9 N1	318.08197	318.08258	0.39505824	318.0821	5609	5947	4261	4722	20526	9955	1141	2293	23730	2660	4543	3421	48391	9455	1933	2798	3856	29948	28237	2001	6400	2552	5368	2293	0	0	0	0	2117	1126	1863	1830	2852	2455	4990	2092	3836	1177	2331	0	2808	13003	0	0	0	1614	0	0	2567	934	7177	5434	14023	0	27432	33554	8669	1331	0	1695	0	0	48397	33714	6214	23079	9774	3153	0	0	0	1703	2658	1580	2680	2015	0	2982	1859	0	1714	655	0	0	24481	6538	1828	11612	11417	2380	0	0	1844	3759	0	0	6050	7203	16570	30559	33827	6339	4002	2979	0	2226	22783	0	0	51276	Phytochemical	0.75	1.25	0.083333336
16	C13 H11 O5 N5	318.08328	318.08368	0.33467904	318.0834	4968	5266	4507	5718	0	0	28430	27443	0	0	0	24094	0	0	7266	0	4346	0	0	0	0	0	0	0	0	0	28241	0	28236	52667	68346	12557	21777	11074	0	22693	19541	6222	5926	0	0	0	0	0	0	0	0	0	8280	21812	5144	4327	0	970	0	0	0	0	0	0	0	0	0	0	0	0	0	5521	0	0	0	92064	107835	98234	10646	55059	0	26580	0	0	3034	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4304	3323	0	0	0	16965	32189	0	0	0	0	419	2490	0	Unclassified	0.3846154	0.84615386	0.3846154
0	C21 H12 O1 N1 Na1	318.08893	318.0895	0.44933283	318.08908	2215	2946	1889	2257	1911	16513	0	0	0	0	0	0	0	0	2382	0	0	2391	1463	0	0	0	0	0	0	0	0	0	1557	0	2816	1535	779	4116	0	0	0	1865	0	0	0	78318	0	0	0	0	0	0	4163	0	3305	3102	0	0	0	0	0	3545	0	0	0	0	0	0	0	4230	0	0	0	0	0	6436	4103	0	0	0	0	1926	0	0	0	0	0	0	0	0	0	3936	2010	0	2889	0	0	0	0	0	2309	0	402	0	0	0	2113	0	0	1128	0	0	0	0	Phytochemical	0.04761905	0.5714286	0.04761905
0	C11 H15 O8 N3	318.0932	318.09396	0.79054946	318.09344	0	3006	0	0	0	0	0	1776	0	0	0	0	0	0	0	0	0	0	1721	2894	0	2070	2783	0	0	0	0	0	3105	0	1882	0	0	32882	0	0	0	0	0	3877	0	1219	0	0	0	1378	0	0	2989	2686	4345	2315	2775	0	0	0	0	0	0	0	0	0	0	2476	0	0	0	1224	0	0	0	3829	12539	3659	0	0	0	0	0	0	0	0	0	0	0	2111	0	0	2420	0	1489	1533	0	0	0	0	0	0	834	0	0	0	0	0	0	0	0	0	0	1162	Peptide	0.72727275	1.3636364	0.27272728
8	C7 H16 O4 N7 S1 Na1	318.0955	318.09573	-0.30596656	318.0954	1143	0	0	1128	653	0	0	0	0	1333	0	0	939	0	0	0	0	0	0	0	0	0	0	0	0	1247	0	0	0	1208	0	0	0	0	1454	0	0	0	0	2439	2174	0	0	0	0	0	0	0	0	0	0	0	658	0	0	584	0	0	1794	0	0	2264	0	929	0	0	1778	0	0	0	0	0	0	0	26001	0	0	0	0	0	0	0	900	1426	681	0	0	842	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1424	Organosulfur	0.5714286	2.2857144	1.0
12	C13 H19 O6 N1 S1	318.1006	318.1011	0.27625486	318.10068	8708	6774	5358	4136	6570	6888	2318	2260	3695	8544	4154	1327	11988	3647	2745	5632	3176	10217	11011	9232	11649	11981	2444	3167	3576	3232	3298	0	3997	1503	2797	4501	5271	4916	15569	2234	9904	3180	3854	13978	7479	5188	0	0	0	8282	7497	0	4876	0	5226	7293	4837	0	7974	4838	2298	8000	15797	8605	0	8448	5305	3521	2269	8029	4604	0	0	5904	6529	2271	2990	1226	3544	2728	0	2153	4733	0	2790	6809	5569	6957	5973	3393	6699	2988	4664	5598	24000	45238	10550	18098	24302	0	8412	11135	3648	6013	5408	4866	1568	8061	0	6618	7035	0	3236	9596	Organosulfur	0.46153846	1.4615384	0.07692308
14	C13 H19 O6 N1 S1	318.1006	318.10107	0.24932562	318.10068	7084	4194	3706	5963	5221	7871	4301	2503	4641	5401	5393	3681	8597	1941	3640	6602	4833	10607	7367	6164	8298	14731	2703	0	6082	4373	3613	0	3661	3023	3420	0	6809	3220	8320	1534	3025	2459	4263	14297	7787	2883	0	0	0	6278	9188	0	4500	1598	4962	4382	4406	0	3754	7589	1611	8142	9845	9227	0	6150	3426	3041	2241	6497	3734	6237	0	4576	4494	3924	4281	1960	2662	2182	0	2401	3184	0	1569	4666	4800	5361	3819	2991	5568	4692	2268	7736	17317	38799	9292	10359	14060	0	6551	5073	3772	5387	4151	5084	2567	9481	0	5243	5788	0	3976	7876	Organosulfur	0.46153846	1.4615384	0.07692308
8	C13 H19 O6 N1 S1	318.1006	318.10117	0.33629057	318.10068	8016	8422	4584	6661	6525	5965	2556	3576	8073	25737	3827	2147	12971	3973	4020	5292	4174	7642	7601	9224	7832	17519	3525	5109	3851	1019	3868	2788	3460	2823	5009	3999	6345	3213	44345	2858	6443	1725	4602	8944	10458	5814	0	0	0	8135	10009	0	5561	2233	6712	8556	7478	0	9478	4586	2632	7114	9023	8976	4472	5146	9256	6217	2722	7604	5640	6212	0	4988	5300	2458	3024	2981	3381	2890	0	2395	4539	0	2576	5495	4113	3049	5380	0	6863	4928	4695	7604	0	14445	11103	7921	14304	0	8547	6822	5281	6012	4959	3986	4022	6909	0	5761	6802	0	2766	14305	Organosulfur	0.46153846	1.4615384	0.07692308
24	C14 H23 O5 N1 S1	318.13696	318.13736	0.27836296	318.13705	1151	1928	3441	3043	27341	19892	2675	0	12879	0	1192	0	6071	49963	0	0	0	17301	12193	0	0	0	0	0	2277	0	3992	2022	2281	1127	0	1193	0	1022	0	1177	0	0	1933	1982	0	22471	0	0	0	0	0	0	1490	0	2474	1876	20716	0	9801	1232	25167	2379	2806	1062	1434	0	0	2370	30997	7315	57163	1890	0	0	0	0	0	0	3966	0	0	0	0	0	0	867	2911	2718	6857	16215	0	4204	7773	0	0	0	0	0	0	0	2340	2837	10534	0	2270	0	0	4339	1872	0	17189	0	3469	1157	Organosulfur	0.35714287	1.6428572	0.071428575
8	C14 H23 O7 N1	318.15472	318.15527	0.18694358	318.1548	86626	93245	76158	91652	89472	76259	66101	117156	107476	50846	37430	74627	164059	44377	100437	150040	113714	160323	172204	103687	87422	76527	115389	129516	68613	35606	60779	33393	130534	113976	82057	98162	96789	84690	69310	121033	117588	77112	107572	48399	54798	105910	3909	484	495	89766	82558	324	97844	114726	90754	83583	88024	1057	217450	142654	66754	93637	91319	70504	156559	40487	119975	127347	50730	111181	75087	82447	49658	37714	51065	76700	93659	109846	79510	90970	278	71639	99419	44055	74888	49920	87416	43011	151136	81218	99954	67207	85275	84955	46066	82907	124588	41398	71176	1526	93634	130162	79972	128697	171480	142118	66519	127877	49465	81098	135897	443	60270	141806	Lipid	0.5	1.6428572	0.071428575
2	C14 H23 O7 N1	318.15472	318.1554	0.23642631	318.15482	19500	19013	14662	39624	38722	29221	8073	48210	41954	9969	8211	29832	61958	15818	29264	8304	31098	55592	52330	12056	16313	42992	25464	18544	7116	897	3857	7230	56204	15482	47364	51466	63662	54950	17543	22876	58284	20690	35502	11182	8495	14403	212	0	383	10003	6536	0	58676	13843	19950	18012	37102	0	50586	25448	16140	60128	12851	8795	10199	4396	63742	44634	9326	66498	41556	35128	3077	5187	4753	25210	51600	18098	3229	22016	0	14182	18226	6953	7600	4767	5715	2004	33400	18642	18682	32444	45222	17792	18479	45232	55570	5271	4378	0	40522	22164	20838	33050	30134	21060	24060	31388	5574	43702	25304	0	6941	83208	Lipid	0.5	1.6428572	0.071428575
10	C14 H23 O7 N1	318.15472	318.15524	0.16481872	318.1548	164640	146445	151191	151261	177751	144956	128162	226627	188768	102094	66905	127169	323634	82103	170179	227463	193259	342024	356427	187820	168140	129090	188069	206572	130523	83158	89414	66648	241459	203362	143775	169613	200305	170779	116810	229144	197444	126193	168576	80568	92852	188788	9104	899	1524	128717	111547	941	187986	182982	161832	152992	169554	2450	403312	251833	103683	184377	136292	109620	229658	64241	191014	224047	143858	231964	144204	152430	93975	89082	79621	147317	155215	188692	162310	157024	610	119647	154813	72727	120451	78861	150348	72647	257772	171391	169054	134238	156051	117833	93443	143411	210503	72984	109384	3052	148497	219316	155609	210596	294431	278105	115952	209737	70290	135763	240867	1329	97794	247170	Lipid	0.5	1.6428572	0.071428575
4	C14 H23 O7 N1	318.15472	318.15536	0.21335122	318.1548	17339	18165	16120	17275	17935	16163	8100	22426	41558	10571	6630	12064	39262	13072	16940	21447	18747	69988	54956	16928	16047	21663	15605	20709	11470	3441	10762	3954	19578	15229	17008	17705	22319	13824	19641	17594	18768	12295	21913	10024	7756	17527	0	321	419	18305	16862	0	17629	17950	16870	15549	16637	597	71858	28169	10654	22569	22102	14835	20396	6574	62442	50682	9982	51168	12108	17865	6872	4789	4976	16339	15634	19702	6732	12889	273	14075	13572	5674	12943	8474	11875	3757	25757	15355	13486	10973	15741	35026	23254	23368	53280	8510	9540	594	15317	22028	15168	27197	27942	22908	10500	27643	10619	28248	23169	340	7872	78858	Lipid	0.5	1.6428572	0.071428575
20	C14 H23 O7 N1	318.15472	318.15518	0.30532858	318.15482	9549	6232	10213	7264	12758	11087	5087	11013	7640	3254	2817	9669	20647	5292	7583	8814	11383	9513	13524	5710	2863	5546	4948	7518	3476	2731	6762	1948	11177	10665	8768	9606	8965	13511	2928	12173	15636	4549	14523	4723	7665	8595	1662	1951	2169	2516	5845	1449	6373	7604	6431	6227	7809	1296	19628	16271	5561	7101	3742	7137	5936	3337	10767	15449	8567	13592	9666	14810	2746	0	4402	6526	9427	10486	15035	12467	1476	6479	10538	3413	6403	1193	7304	0	13114	9115	6776	7321	6918	4139	4786	4933	4257	3930	2344	1283	9101	10758	9715	13572	14817	14609	6412	7910	2163	4717	11632	833	4928	16451	Lipid	0.5	1.6428572	0.071428575
8	C13 H23 O6 N3	318.16595	318.16653	0.43748438	318.1661	2422	3868	2694	3146	0	0	0	0	0	0	4290	785	0	0	979	1846	1397	0	0	0	0	0	730	1801	1490	0	816	24158	1681	1147	1304	1515	0	2549	0	1363	1958	1268	1845	0	0	0	0	0	0	1696	0	0	2393	1151	3281	3568	0	0	0	0	568	1587	0	0	0	0	0	0	0	0	0	1901	0	0	0	0	1848	1315	0	1221	0	0	1452	42008	0	0	0	0	0	0	1273	642	1246	1805	157104	103697	4300	13840	2362	0	4242	2060	0	0	0	1779	925	0	0	875	0	0	810	0	Peptide	0.46153846	1.7692307	0.23076923
0	C13 H23 O6 N3	318.16595	318.1666	0.09024976	318.166	14246	14777	13485	12047	12646	37249	3200	20758	9401	3979	11696	6975	17701	7689	6012	2803	8138	26307	18585	3208	6406	9145	11278	13296	8977	0	0	41488	37184	6944	20678	17524	48289	35740	7444	16360	26608	6080	11431	1637	0	27354	0	0	0	4096	0	0	23607	8765	12837	11363	22227	0	10392	3740	3776	23245	2599	1483	6047	0	17383	12073	8753	24182	32455	10623	251	1893	0	31720	40208	15393	0	17154	0	8919	4728	120894	3298	794	1484	0	5496	5927	5202	20478	26508	13033	189050	67489	18879	31322	0	0	13681	14481	4449	3975	5956	14200	6826	3734	882	24439	6926	0	3552	31058	Peptide	0.46153846	1.7692307	0.23076923
12	C18 H23 O4 N1	318.16998	318.1705	0.21732149	318.17004	84975	95529	94949	85613	36073	35328	52963	79304	25497	195216	103849	49146	23445	21212	44248	92716	86654	42051	54206	253016	255054	109249	43677	96558	46992	249842	53448	87268	70728	72032	71525	76503	100386	73986	221971	69164	84580	43498	100771	153131	178896	33745	1105	392	497	93456	104229	0	89906	75583	80783	102726	33460	415	40728	18452	24932	93754	18068	48447	69566	86926	29390	29304	19763	40971	41056	95033	165136	353807	366303	74057	69766	73364	78042	84613	0	46069	52631	61666	48880	36164	36029	113725	25960	21440	61453	40208	38008	121118	111288	78324	117467	67961	145435	724	94621	101804	25414	40234	67624	94898	40739	76399	40884	81764	23639	460	53603	33672	Phytochemical	0.22222222	1.2777778	0.055555556
6	C18 H23 O4 N1	318.16998	318.17056	0.18897086	318.17004	168009	177818	153112	157747	46205	56272	98216	199185	39649	379890	163717	84599	38723	37252	98804	188995	126904	62974	94413	414971	426406	183217	119799	1363372	153942	362332	108860	139028	140644	129794	137916	171720	193544	155654	437078	157044	194847	90065	161333	214912	168520	54325	914	392	344	293905	176518	351	190160	146729	174542	177029	57042	506	50428	17544	30919	178453	8545	32016	179499	114363	42562	39528	28260	57313	71878	174536	242578	538374	538469	157540	148979	146067	125876	128431	268	83302	92395	107134	85793	38335	32134	170646	31404	36981	143783	66436	72487	275260	164936	89630	258606	133201	283487	535	166066	150613	30749	19740	24474	185398	79722	188796	75322	151035	25247	0	116589	49007	Phytochemical	0.22222222	1.2777778	0.055555556
2	C18 H23 O4 N1	318.16998	318.17062	0.14328173	318.17004	66995	66704	64184	61735	8350	17791	62042	161689	8715	70197	33213	66095	6556	8744	66800	143846	84124	16355	23990	95684	100269	57347	48214	131178	52201	60454	78835	22947	96341	95818	85594	97345	82722	79841	78438	110974	84965	61145	87943	73492	61022	27560	0	447	463	47308	52622	413	125462	147162	60664	61476	16594	0	13522	4386	11720	103232	6849	14770	123355	33758	7416	11450	12439	12734	24571	104503	49427	70089	74558	97820	96933	117253	124005	93120	299	68988	49054	23266	42549	18096	24057	47191	6838	13315	41797	25059	28060	79968	43609	31511	101783	34149	81494	796	65023	74527	6695	3064	4127	81645	55525	104556	24174	64208	6086	0	44736	7990	Phytochemical	0.22222222	1.2777778	0.055555556
8	C18 H23 O4 N1	318.16998	318.17053	0.20454626	318.17004	122145	136794	116589	129191	44109	48927	71382	122777	38389	332005	165320	91281	43105	33918	57853	129159	98970	52851	95288	421492	419030	139171	67000	126340	53069	399430	84740	156328	104258	124174	108046	114654	133656	101316	416950	108169	137716	57084	118998	248901	184341	47888	973	341	314	123942	141107	479	140564	111454	127621	120730	48622	320	55255	20841	29871	113477	7600	41721	117668	107436	46621	41917	29233	61924	59442	121365	285398	512792	533796	100937	99647	91283	97147	119168	348	89930	67917	89981	53769	29520	24636	167765	30417	27382	68656	54448	58657	148864	141576	65620	163700	106163	233667	468	121899	126014	34725	23161	25231	119983	85878	121975	40351	91606	28404	323	58094	51400	Phytochemical	0.22222222	1.2777778	0.055555556
18	C15 H27 O4 N1 S1	318.17337	318.17368	0.18988408	318.17343	7947	11829	10355	7476	0	0	7637	4696	0	0	0	5288	0	0	5053	6486	35994	0	0	0	0	5330	6866	10957	4473	0	9439	1986	0	8871	2306	9973	2819	0	0	12792	1786	12954	35843	0	0	0	0	0	0	0	0	0	0	7666	7863	7679	0	0	0	0	4811	30663	0	0	6359	0	0	0	6918	0	1907	47111	0	0	0	1293	0	13822	25199	11286	0	1134	24404	9027	36516	1737	0	0	0	3085	36834	3511	3040	319183	0	0	19639	0	0	0	7542	8523	0	0	1424	1835	3701	0	0	8743	0	0	12026	0	Organosulfur	0.26666668	1.8	0.06666667
10	C17 H23 O3 N3	318.1812	318.18167	0.22167596	318.18127	38316	26895	31231	29896	1680	3122	4522	8674	1505	7959	25650	4255	990	0	5070	8147	10283	2389	2155	8198	7566	7693	4890	9058	6149	8305	5592	213225	5727	7020	6499	7320	10020	7050	10069	10519	10227	5795	9900	16683	12788	3704	0	0	0	5644	9509	0	10297	6827	32483	31785	1942	0	1114	0	1210	9075	0	5649	0	5121	0	0	1297	1639	2969	14364	0	8635	12203	5441	6914	6528	5060	5996	0	6170	6653	1455985	5067	3390	4258	6646	1305	2687	7900	5735	3120	20987	1055331	393513	20593	234591	24841	0	32746	24945	1484	0	0	6501	8152	6918	0	9764	0	0	8333	1155	Peptide	0.1764706	1.3529412	0.1764706
14	C17 H23 O3 N3	318.1812	318.18164	0.18978618	318.18127	3296	5762	5940	5741	1265	0	3260	7771	0	3520	2226	5804	2003	0	4075	8748	7009	0	0	1996	4461	5963	4428	11229	7319	2325	6250	0	5875	8920	6016	9765	10400	8564	5162	5692	8130	6056	11759	6276	7078	1838	0	0	0	6861	6479	0	10558	9136	2643	5616	0	0	0	0	805	7607	0	6990	0	1430	0	0	0	0	3393	13266	0	3458	2349	5847	5991	6897	5466	9416	0	7535	4044	0	5227	2401	5478	5094	0	0	3143	3497	3245	16640	30697	7659	13498	5003	6625	0	3883	5100	0	0	0	6818	6625	9124	0	8733	0	0	6500	0	Peptide	0.1764706	1.3529412	0.1764706
12	C17 H23 O3 N3	318.1812	318.1817	0.20910065	318.18127	7345	5059	7221	9306	0	0	2147	7821	986	6783	12003	3004	0	0	2624	7228	9789	1426	1830	4892	4540	7354	4360	5675	4128	4416	4474	32421	5927	4957	7824	4749	7080	7528	4971	4336	6122	5512	8640	8269	11405	2779	0	0	0	5126	5278	0	8427	4428	7370	7976	1593	0	0	0	1485	8440	0	0	0	1781	1395	0	895	0	2263	8917	0	4611	4712	6235	5589	4988	5928	5700	0	4369	4647	101509	6654	3212	6139	7302	0	798	5410	2407	2174	19086	231524	115522	10315	31264	7572	0	10340	6323	0	0	0	6380	3979	7362	0	4791	0	0	8992	0	Peptide	0.1764706	1.3529412	0.1764706
10	C20 H24 O1 N1 Na1	318.18283	318.1833	1.0411692	318.18317	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28955	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	187151	16284	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.05	1.2	0.05
10	C15 H27 O6 N1	318.1911	318.19162	0.24182895	318.1912	18099	14956	13910	14165	26721	13734	28792	17582	9446	3592	4956	10144	24015	37729	14142	26510	25392	17058	21058	9801	9088	11852	14132	24706	15524	14298	14377	9134	18482	17411	12045	19039	17079	12244	5928	15661	16170	10205	24119	2471	10628	14258	5491	0	0	10479	10218	0	21821	15455	15827	14361	14775	775	16007	21788	7930	21819	6833	12414	24828	2423	16686	9655	36886	14063	13868	25493	0	4517	5834	9001	15117	14812	19416	14841	0	10958	18245	11271	10567	9227	62172	46205	26552	15099	18893	8154	10073	22903	16151	20699	22318	6890	8497	1445	16683	21224	11152	24898	39085	24625	8808	12216	0	15194	25020	0	15268	16474	Lipid	0.4	1.8	0.06666667
6	C15 H27 O6 N1	318.1911	318.1917	0.22499298	318.1912	23338	25889	26952	26946	15848	14344	24402	23904	18622	9606	8196	15336	24012	21630	38456	30767	20228	19084	21754	13116	10874	16100	24128	19338	69582	3610	20180	9346	36178	28360	22734	24458	30510	25248	18310	24840	31730	31518	22851	6312	5270	11206	0	0	0	11916	15372	0	31380	21424	22162	26256	15064	0	27244	22478	12838	30598	8282	8106	23914	3026	22560	13272	12728	20502	20904	25360	6468	8010	6562	17766	19788	23080	12046	16442	0	17202	28562	11532	28572	7582	11380	3876	19558	21116	35440	14752	19196	36948	86244	53044	42930	5672	7934	0	22020	25164	10890	26938	28636	30572	14976	24188	15174	21586	16556	0	39124	25192	Lipid	0.4	1.8	0.06666667
18	C15 H27 O6 N1	318.1911	318.19156	0.24179447	318.1912	31293	25521	30408	28458	44069	44008	95315	26914	28900	4827	6221	22016	62416	50415	31680	35247	29135	71439	73719	13139	5603	10920	28251	21728	33248	12956	73854	22684	60298	44429	30919	43048	54091	54394	3831	51182	60737	23744	28751	4738	7952	34698	6395	0	1157	10683	6581	1166	40463	25777	27769	31204	48835	2005	50937	32758	26016	38968	13303	11641	38176	4842	38267	28757	51579	64113	56328	26019	4641	3669	7403	31676	42801	50197	31074	32782	957	22265	14590	25021	10218	10616	105860	64776	31624	47913	30533	35384	37673	18456	40822	35082	29401	7376	10355	1507	37451	42762	21892	36404	40325	59935	18945	24922	19307	22474	34691	833	25758	35226	Lipid	0.4	1.8	0.06666667
8	C15 H27 O6 N1	318.1911	318.19165	0.24074641	318.1912	12199	14902	12508	16023	175877	20516	14988	14782	5598	5403	3553	10523	13542	9034	10696	20706	28537	10814	12243	8585	6008	9439	10484	17178	10842	4389	8659	5146	17379	14794	11883	12077	19254	12574	6257	15538	19101	8090	27894	2794	4634	8998	1464	0	0	10446	5422	0	19221	11340	14220	13838	85351	275	15366	13178	7756	18037	4894	6193	20430	2439	12534	8000	11267	11161	8238	24158	0	4212	3652	10370	9638	13211	13164	10924	0	8436	12500	9001	7667	8671	18087	14218	17622	7297	14214	8247	8428	11325	19688	14132	16461	5794	9174	0	13145	14084	12150	17569	22420	21855	7356	13569	0	12791	82642	0	12289	12519	Lipid	0.4	1.8	0.06666667
20	C15 H27 O6 N1	318.1911	318.19156	0.27903333	318.1912	23404	19314	19060	22495	32662	25383	28101	14275	17587	2111	6300	13520	41118	41082	19194	24979	24707	39891	49418	10092	5465	8831	11227	8914	23748	20546	23145	18246	38088	22513	20177	23714	23987	24810	6644	32317	32523	21866	21484	5410	14044	59861	5158	602	881	7281	15226	0	18674	13757	23083	17649	30916	2149	39295	21304	12851	22807	11411	13804	23804	2562	24164	25136	27125	39291	36637	21562	8113	3104	14827	15104	19811	26607	28391	21068	934	11907	8529	21943	7298	10375	24253	15545	14805	40479	34234	21611	23906	16656	30103	31232	15090	8689	10200	1397	20232	23984	17414	16168	22963	33858	9856	13800	11776	12756	23813	661	20682	29667	Lipid	0.4	1.8	0.06666667
0	C15 H27 O6 N1	318.1911	318.19174	-0.06480533	318.1911	6222	5495	7606	5770	2420	0	3257	9355	3524	2440	1716	5143	2743	0	2484	0	6968	4068	5478	2525	4953	5594	3776	1942	1884	1538	0	2886	26446	3011	12272	9174	23568	9999	8101	17160	16177	2516	6644	1661	2075	4473	0	0	0	2079	1765	0	15163	5191	6833	6287	3122	0	3465	1872	1244	12299	2508	3051	3750	1096	0	3128	15963	4633	6192	8027	2312	2187	1378	7391	15278	6129	0	24629	0	5355	2989	10472	2308	1936	2295	0	2467	1760	4803	3601	8279	5870	11054	6792	7888	3409	0	0	6607	7515	2398	1590	2225	4792	3845	3040	1656	6652	2989	0	2724	4228	Lipid	0.4	1.8	0.06666667
16	C15 H27 O6 N1	318.1911	318.1916	0.2627096	318.1912	17671	22795	22519	26094	19160	27377	179417	24559	15477	3847	5492	11500	32043	41472	29245	37596	28935	38646	31190	6835	11322	10436	21584	21383	30528	21995	58725	13383	39703	23538	25116	28792	36412	28131	6563	44128	33327	17411	27241	3378	3610	27350	4273	565	717	9967	11967	461	28411	25954	21768	19972	23552	1649	19043	24400	14371	38732	10531	15061	36244	4206	21717	18103	86629	37512	32968	26999	12413	3961	4083	22332	31760	34541	35520	24377	601	15013	19712	21816	12411	12327	165179	93230	26344	25286	27053	19417	26524	0	32435	24467	0	7862	11827	1183	27603	29734	15043	29757	43527	50785	12484	19446	11756	23471	26550	361	24604	21733	Lipid	0.4	1.8	0.06666667
12	C15 H27 O6 N1	318.1911	318.19162	0.2551588	318.1912	9717	9483	13267	10357	17596	14523	49477	28915	11810	3290	4298	12135	19318	53223	23041	10927	36230	21447	28471	7666	10847	10814	20115	9019	24536	36140	7530	8162	25150	8796	15998	9652	20207	14850	6105	19037	13044	16566	33758	2265	6004	16704	4481	0	0	9721	7311	0	10446	10347	10703	9784	14815	640	25614	29063	11164	17331	8387	16934	0	2370	27804	10380	48153	21085	25307	26176	18970	6686	8875	8700	14692	13985	9147	10296	0	12718	18076	15671	11370	13354	142268	114117	26280	20938	21269	8639	14402	35002	15062	15574	24795	5914	1520	982	6084	17077	15236	28197	38267	11835	10965	0	0	16981	24693	0	19122	17447	Lipid	0.4	1.8	0.06666667
2	C15 H27 O6 N1	318.1911	318.19174	0.15723896	318.19116	14966	16444	12516	12615	11780	0	8201	14248	8947	8149	4720	9521	15574	14599	10968	10850	12065	8763	10495	12484	8534	12125	7562	12243	11722	2332	8854	5448	20778	23063	15030	21075	18855	10739	10894	20815	18234	8785	15236	4947	7470	6019	403	0	0	7801	13330	0	38878	12879	15547	13476	9949	0	11280	5293	4010	23860	4933	5737	15114	5206	13114	8118	35199	11099	8945	18463	13402	5789	10502	11777	14804	19166	5530	15229	0	9280	10516	24720	6265	8329	5370	3587	6987	6114	16249	5907	8561	22182	17650	53030	19928	12526	8097	0	15837	14612	7087	7896	7714	25651	7452	18498	6764	13148	8505	0	8709	18775	Lipid	0.4	1.8	0.06666667
4	C15 H27 O6 N1	318.1911	318.19174	0.18584815	318.19116	7221	8703	7517	6825	7265	6590	7548	9189	9980	4596	7430	4647	12008	8187	8236	10665	5206	10570	7415	7028	3587	8403	7255	8581	6831	2882	13037	7872	9837	7829	7586	8162	9310	6328	7212	8644	8698	6479	6755	2757	2834	3985	0	0	0	4456	5069	0	10085	8323	8227	5343	8129	0	10257	7981	3103	11883	4557	2467	11807	2787	9395	6087	12214	10175	5732	7795	8056	4247	3980	6755	5176	8150	3142	5766	0	6029	5876	22094	4067	3431	4026	2812	6532	4738	8496	4162	3536	9793	27978	29644	15691	3490	3785	0	7897	8828	6296	11319	9262	8461	4713	7682	3766	7007	8240	0	4720	13403	Lipid	0.4	1.8	0.06666667
14	C15 H27 O6 N1	318.1911	318.19162	0.2687526	318.1912	20347	17710	19081	17750	19622	20904	87032	26278	11940	2539	6312	11539	33665	54993	24735	34855	40673	29777	22856	9991	11164	6962	24585	21992	29552	39876	42639	10836	40159	27588	18782	15509	35167	19985	0	34661	23814	16690	34678	2174	6405	24511	7231	329	371	11474	9641	0	21133	20257	13266	12428	15683	1419	17837	30972	10700	27280	13492	15282	41503	2186	28683	15077	297514	26309	32836	27025	0	6800	8812	13595	20218	24813	30182	20447	308	18056	21908	21461	16585	19459	132053	81444	29614	20446	30801	13743	20117	23464	22044	18451	34627	7241	6012	1268	17363	29260	21093	34324	49389	25835	11833	12330	0	17529	23339	0	14314	18384	Lipid	0.4	1.8	0.06666667
16	C13 H27 O2 N5 S1	318.19583	318.19623	0.36663276	318.19595	221019	176927	274749	275842	8218	16212	308265	197768	16508	168961	512802	177163	9823	39129	131601	82879	513062	12012	3900	199666	18134	258556	99226	289620	10958	9768	232831	2160793	26072	30837	17766	65149	14803	18728	4365	21184	10674	238277	169429	60561	510819	35710	174952	4695	4412	140790	752451	8979	36526	241454	210632	193936	6337	33631	7384	5357	10324	263635	1385342	2063722	7118395	337379	44112	25207	8067	15604	31461	54902	3079776	100733	124653	57477	18994	28691	13329	20346	12397	71507	14096	3876509	2365	16080	19900	4195	2732	6795	2326	11718	13940	293777	31787	156805	32246	273595	93578	11631	225044	300331	77339	1143	4457	366380	59071	670151	282480	0	3684	6800	4630	11813	Peptide	0.15384616	2.0769231	0.3846154
14	C13 H27 O2 N5 S1	318.19583	318.19644	0.27376822	318.19592	268027	325228	235115	222860	15394	13156	441858	29827	17594	364803	285059	81357	11695	35278	28103	30749	97619	3661	4009	163401	8357	802701	33132	180805	3780	3850	165558	1124087	18250	3851	15041	41238	17569	8162	37983	4813	13224	110882	164453	118715	676029	8632	43883	1317	533	85531	216653	4821	40107	53418	285270	295293	7520	5799	0	0	7486	473379	398363	920834	2057785	217606	87000	13036	5816	15763	18416	52175	1400409	180820	115228	45655	5073	7862	12163	28582	626	75818	10349	1382204	2915	10354	18672	6462	2162	0	2657	18188	8097	758053	109625	159552	21320	427976	27896	6342	297585	143175	90446	2479	2257	189063	80610	191062	74087	10051	2745	2449	1657	26992	Peptide	0.15384616	2.0769231	0.3846154
8	C14 H27 O5 N3	318.20236	318.20276	0.42735755	318.20248	0	0	0	1098	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1109	6819	0	0	0	0	0	0	0	0	0	0	1262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14921	0	0	0	0	0	0	0	0	0	0	43478	19854	0	2415	0	0	0	0	0	0	0	1074	0	3063	0	0	0	0	0	0	Peptide	0.35714287	1.9285715	0.21428572
6	C14 H27 O5 N3	318.20236	318.20288	0.2954159	318.20245	3869	5687	6122	5397	0	1316	0	1086	0	1362	11076	558	1511	0	968	2245	0	3290	0	0	0	726	0	0	0	0	1483	179047	1231	0	0	1205	2746	894	0	0	1076	598	1497	0	0	1577	0	0	0	0	0	0	0	593	4427	4358	571	0	0	0	0	1457	0	0	0	0	0	0	0	1084	0	958	0	0	0	0	0	897	0	0	0	0	2175	99531	0	0	0	0	0	0	2483	742	779	3256	308287	172689	3648	22082	2210	0	5693	4258	533	0	0	1423	764	8879	0	1954	0	0	1231	1111	Peptide	0.35714287	1.9285715	0.21428572
0	C14 H27 O5 N3	318.20236	318.20297	0.07924241	318.20236	7065	7749	7084	8447	6921	0	2135	4813	4841	0	6199	2384	12441	0	3129	0	4543	7609	5149	0	1246	6259	4900	4980	3431	0	0	116278	7818	0	5791	4033	12324	4701	1755	3837	4986	4207	5073	0	0	5756	0	0	0	2326	0	0	4895	2561	7055	6861	5264	0	4459	4668	1984	7777	803	662	2450	0	8038	5045	5077	10124	4866	5517	0	0	0	3645	3968	3299	0	4850	0	3083	3516	400288	2523	0	0	0	2935	3516	3671	5716	4757	5475	140501	74400	9229	73868	0	0	6332	7328	4099	1935	3000	2232	1946	0	0	7176	3639	0	3162	12563	Peptide	0.35714287	1.9285715	0.21428572
4	C14 H27 O5 N3	318.20236	318.203	0.3522119	318.20245	15501	14845	14337	16192	935	16584	857	1411	598	0	6256	467	6193	0	1746	3002	1502	7117	366	0	0	0	1046	1202	1176	0	1313	245949	2837	1732	1627	2032	3389	2309	0	1420	2825	1086	2226	0	0	3888	0	0	0	0	0	0	2962	664	16344	12759	693	0	839	434	504	3235	0	0	1336	0	1334	876	1262	3826	696	1430	0	0	0	1038	1551	1056	908	994	0	1099	922	787446	480	0	285	0	361	1039	1378	1848	2247	2001	858038	419347	2611	90993	6824	0	13462	14823	2281	756	766	1797	887	0	0	1920	757	0	750	4547	Peptide	0.35714287	1.9285715	0.21428572
2	C14 H27 O5 N3	318.20236	318.203	0.20844741	318.20242	11669	15652	12278	10960	4237	17104	1738	2698	2216	1552	5799	1697	7164	1885	2184	3630	2663	6163	4215	926	675	5153	1639	4580	1796	0	0	148277	4949	1644	2944	4364	7103	2648	786	2845	6366	1777	3392	276	631	4948	0	0	0	603	477	0	4044	1709	9818	14968	2368	0	2783	1017	922	6458	0	280	2958	0	5228	2500	0	7233	2991	2807	0	430	0	3117	3105	1451	753	2375	0	1681	2242	699402	1646	0	0	0	1691	2201	2874	2945	3691	6825	239221	178671	7252	69244	981	0	13723	12606	2865	1169	1951	3968	2424	1142	213	5274	1209	0	1315	8355	Peptide	0.35714287	1.9285715	0.21428572
8	C19 H27 O3 N1	318.20636	318.2069	0.20273095	318.20642	89857	98378	84864	103568	8568	37224	87668	132593	5727	87600	48289	61461	3979	7471	51078	284162	110920	12627	26522	116646	112597	90101	47091	173234	73252	53249	116945	56977	93841	92327	110136	126488	125720	98975	105591	104729	146318	46057	135882	63104	15070	26848	0	0	0	52603	50063	0	134901	111175	92412	88103	16544	0	6076	2085	17953	302713	0	947	182085	19963	4307	8601	16575	15561	30600	134988	34679	82011	71743	101708	94297	97535	93928	100064	0	60463	41415	38758	39643	1307	3455	48090	3458	11795	51138	29545	33653	1121528	137309	12446	577295	53325	86770	0	102864	97730	4852	1935	0	121307	57524	51007	12686	256368	2720	0	87335	6398	Lipid	0.15789473	1.4210526	0.05263158
16	C19 H27 O3 N1	318.20636	318.2068	0.22520813	318.20645	4543	7749	10223	4950	3662	1615	8605	7375	1494	13490	8565	7017	0	3465	3811	8239	13169	0	2016	11414	14708	6032	5245	2128	5882	21967	4730	11446	5080	6377	6880	5532	5248	5484	11059	4955	7933	4011	17159	7136	14738	2704	0	0	0	4485	4923	0	9026	7074	6993	5529	2671	0	0	1671	2911	9580	3111	7229	11413	3870	0	1293	1210	0	2096	14985	13489	17477	31254	3799	4476	4739	8002	5342	0	2395	8616	9397	4934	1716	3960	8446	0	0	8832	4131	2987	28422	13135	4830	0	7768	7232	0	8966	7343	1898	2102	0	6836	2340	3803	6802	0	1281	0	7939	0	Lipid	0.15789473	1.4210526	0.05263158
10	C19 H27 O3 N1	318.20636	318.20688	0.19150332	318.20642	36267	35701	34689	37133	9144	12538	34938	45112	9061	60619	38608	35752	2142	5441	23894	48589	24925	8776	21622	78441	68328	14900	16259	39206	21477	46068	54256	28376	41440	41789	37364	60953	75249	37679	63890	53898	69673	24332	27182	35968	9270	11929	0	0	0	19685	16993	0	58235	39179	36705	38031	15638	0	2529	1442	6917	80420	0	0	54602	10367	3643	5239	9506	6883	13131	67155	33416	68681	64830	35814	32719	44037	53930	50106	0	37354	20064	12166	18661	747	0	28764	2787	3900	19121	13705	15662	96908	43481	2352	56030	22475	44318	0	32461	32557	5653	873	1517	72024	32394	18263	0	36501	4262	0	18396	6619	Lipid	0.15789473	1.4210526	0.05263158
14	C19 H27 O3 N1	318.20636	318.20685	0.22791748	318.20645	7378	6830	9599	5816	1959	3259	4876	5393	0	20086	8987	4401	1753	1743	4595	7927	9218	0	3369	18270	18196	6078	2144	6575	5240	30132	12838	7496	5184	6967	6979	9289	9256	4682	17767	3974	11410	2878	14270	10446	5384	3000	0	0	0	3991	7975	0	4982	5656	7873	9059	2863	0	0	0	1543	9314	0	0	0	4347	0	0	1150	2495	3909	11695	17254	22915	31964	6023	5188	4867	5537	8851	0	5254	2788	0	2783	0	1267	13285	1566	0	5556	3965	2908	36793	16761	2510	16148	6098	11922	0	8120	7995	1602	0	1257	8343	5960	4307	0	8690	1153	0	5482	0	Lipid	0.15789473	1.4210526	0.05263158
20	C19 H27 O3 N1	318.20636	318.20682	0.24706039	318.20645	25342	24304	26725	19937	10560	9195	19215	20480	6499	17892	23509	19586	4951	9437	15455	41452	46308	14934	10310	26992	33938	27010	7935	23051	19827	56772	19094	27359	19739	23869	16606	22591	26121	21590	18353	21353	23384	15484	43346	25317	53359	11910	902	0	0	16129	34078	0	24613	21001	22513	19563	14369	507	5753	4594	8931	31486	8176	27587	33136	13639	3372	7008	8022	8139	10854	50562	36577	37219	65853	21021	21154	20497	35050	22510	0	12203	29135	32945	13067	11860	19628	24338	13781	10563	36127	23134	13862	86979	35027	27097	29741	23697	24566	0	22671	16787	12576	4889	8976	30453	13381	24504	17393	24667	11378	0	35903	4450	Lipid	0.15789473	1.4210526	0.05263158
12	C19 H27 O3 N1	318.20636	318.20688	0.25988862	318.20645	11987	19055	13165	17056	5206	5314	18484	24007	3952	29727	23076	18796	1420	4205	11000	25398	14185	4608	12161	44565	42113	9915	7496	17084	10632	39763	25464	18512	17181	13649	14497	20040	28098	16795	34916	11995	25518	14183	19783	17956	5910	5463	0	0	0	5323	13530	0	20864	14850	16674	15048	9167	0	3629	0	6010	26130	0	0	0	5860	0	0	4087	7338	9877	25599	23030	45811	58977	16772	17900	16764	20223	17664	0	16842	9256	0	11086	0	0	16459	1793	1497	13209	7521	7185	39796	29038	3708	35847	11173	25493	0	13818	15468	3995	0	0	20432	13232	6431	0	15466	2099	0	12553	2049	Lipid	0.15789473	1.4210526	0.05263158
4	C19 H27 O3 N1	318.20636	318.20697	0.15471856	318.20642	55935	59647	57318	56669	4042	8845	61699	152664	1135	33464	18481	124709	1118	1302	76549	257858	95979	5710	13534	49923	44984	20983	46083	108861	141269	15071	77066	18582	81824	76057	129610	70530	124410	66093	41414	85704	119582	69380	97429	31971	13389	18458	0	0	0	25865	20926	0	165688	129161	59264	53147	42300	0	1854	1075	15267	160646	0	608	241525	15217	0	3700	19318	22135	18073	94510	8748	20118	16885	114671	67430	94884	99842	59745	0	127137	83353	27780	55893	3058	4156	25730	1562	9844	70113	14740	23624	53599	49910	7383	74181	24989	50698	0	49454	56867	2103	555	1108	111162	104526	45781	14344	88448	908	0	144411	3242	Lipid	0.15789473	1.4210526	0.05263158
18	C19 H27 O3 N1	318.20636	318.2068	0.16959189	318.20642	18522	19070	14470	14106	7069	5350	13585	21925	3384	14805	16944	17063	0	4445	11758	36604	30268	4133	6442	18165	21948	15256	13968	20821	17052	35128	13084	17262	15920	18002	13667	10950	17269	14140	12380	13053	15412	16378	38105	17580	37387	6162	1937	1147	919	9503	12123	0	19802	14624	16981	17704	9718	0	2946	3304	6078	28189	3700	19874	28410	10082	5765	4089	3818	5013	10235	33357	25592	23064	43901	14074	10805	12437	29738	12440	1300	9705	23222	20145	10406	7196	9059	16040	3428	5681	23909	8799	9735	66996	23608	16277	32984	13010	20327	1143	15291	19221	4626	2106	4576	21294	12851	10210	8141	21603	5554	1852	27277	2748	Lipid	0.15789473	1.4210526	0.05263158
2	C19 H27 O3 N1	318.20636	318.207	0.20960918	318.20645	7776	6176	6175	7966	0	0	7766	19973	307	6609	3602	7112	0	0	7567	17241	12725	433	1161	10327	8118	6957	5955	14886	9784	2154	8899	1923	13609	15023	11553	13949	11690	12273	7012	16266	11253	6986	11000	8266	4913	0	0	0	0	3689	4138	0	15999	16921	8442	6354	803	0	0	0	1042	11064	0	261	11764	4259	0	355	0	590	1951	14012	1666	2314	2576	12302	15618	22860	16509	14401	0	8456	6628	3944	6010	980	2082	6151	0	822	4632	2720	2372	12738	7193	2447	14961	3687	11390	0	7507	7960	0	0	0	11915	6942	12293	2210	9535	0	0	8021	0	Lipid	0.15789473	1.4210526	0.05263158
22	C19 H27 O3 N1	318.20636	318.20682	0.24073322	318.20645	29371	31812	26558	37019	30663	20961	18347	34298	10006	30377	35063	20788	11254	13524	21219	57391	42957	29890	26405	41389	38515	37915	19238	39606	26930	75547	26168	29472	31720	32744	28253	34853	42376	39335	27279	40482	33212	16966	37230	37630	69118	20682	0	0	0	25865	44116	0	34571	39203	33554	33380	22557	525	17849	8317	11436	35574	14933	41759	47893	25038	20251	13507	10656	29640	24134	42767	56578	50194	70340	33092	31660	27259	35991	31460	0	17940	27039	43377	17984	22377	24032	24418	22538	13307	33747	29980	21550	112800	49730	52921	50497	39262	45802	0	29417	28776	14996	16167	16928	53834	19203	45859	26720	46017	14373	0	34877	19797	Lipid	0.15789473	1.4210526	0.05263158
6	C19 H27 O3 N1	318.20636	318.20694	0.1795901	318.20642	78662	83312	73998	78736	8164	16456	74298	175978	3245	92643	45178	94106	2906	3612	82472	216455	108537	13843	23817	121991	113576	35402	68397	165742	111773	50012	82352	43871	117109	118022	137359	127220	156322	125519	94490	132457	148049	75247	113110	62967	22650	26737	0	0	0	50325	49534	0	170378	131435	77255	77107	43366	0	4347	565	19254	159039	0	609	189803	25937	4061	5626	18803	24814	33777	155409	32136	68539	67323	149330	111576	136721	118081	102352	0	96554	68742	61532	70064	3410	4427	52895	2110	14835	75949	30316	36174	129859	89695	8039	144812	43632	91740	0	75635	71612	4683	1199	1344	142092	87026	69588	16566	109954	2884	0	80729	7050	Lipid	0.15789473	1.4210526	0.05263158
24	C16 H31 O3 N1 S1	318.20975	318.21008	0.34200466	318.20984	0	0	0	0	0	0	4281	0	0	0	0	3280	0	0	0	0	2304	0	0	0	0	0	0	0	0	0	26470	0	0	0	0	0	0	0	0	0	0	0	1672	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9095	0	0	0	0	0	0	6916	0	0	0	0	0	912	0	0	0	0	0	0	0	0	3461	0	0	0	0	0	0	0	0	0	0	0	0	867	0	0	0	0	0	0	0	Organosulfur	0.1875	1.9375	0.0625
24	C16 H31 O5 N1	318.2275	318.22784	0.23485048	318.22757	2201	3182	4160	4817	77721	5989	25134	0	3058	0	0	0	0	10279	2315	0	0	1457	0	0	0	0	0	0	0	2313	14043	25669	1496	0	0	1132	0	0	0	0	1487	3056	0	0	0	1360	7381	0	0	0	3114	0	0	0	3499	1880	1193	0	7884	0	0	0	1118	1797	0	1305	46112	0	9672	2520	2259	1862	0	0	1475	0	0	0	0	0	0	0	0	49641	0	1567	28189	17763	0	0	1421	0	1381	0	59425	59511	0	3064	2197	0	5367	4761	5292	0	2539	0	714	0	6947	0	6584	0	0	0	Lipid	0.3125	1.9375	0.0625
22	C16 H31 O5 N1	318.2275	318.22787	0.18398514	318.22757	1392	1442	1857	2359	11490	6645	50401	0	0	0	1261	0	2007	5902	0	0	0	0	0	0	0	0	0	0	0	2262	27053	14563	1198	0	0	0	0	0	0	0	0	0	2217	0	1857	0	6743	0	355	0	6722	0	1292	0	1548	0	0	1662	0	0	1048	0	0	4262	0	0	0	0	16770	4395	5615	0	0	0	3949	0	0	0	0	0	268	0	0	51061	0	1668	19898	15176	0	0	0	0	0	0	24528	16270	0	3613	0	0	0	2907	0	1257	3979	1476	0	0	3753	0	0	0	0	0	Lipid	0.3125	1.9375	0.0625
4	C16 H31 O5 N1	318.2275	318.2281	0.17604378	318.22757	796	624	1204	679	357	0	653	1130	0	0	0	304	726	0	997	1761	1746	456	419	0	0	1293	519	477	1444	0	991	0	1114	905	927	929	1487	0	0	1539	818	442	1985	0	0	1637	0	0	0	0	0	0	1056	583	917	735	1470	0	0	0	537	2093	0	0	1370	0	413	0	0	1451	2424	2651	0	0	0	624	833	1372	1724	0	0	731	999	0	897	0	0	553	0	378	4126	557	384	2535	21588	3579	2898	0	0	0	826	577	0	0	0	969	0	0	0	1722	0	0	1278	0	Lipid	0.3125	1.9375	0.0625
18	C16 H31 O5 N1	318.2275	318.2279	0.29951456	318.2276	0	0	0	0	0	0	5146	0	0	0	0	0	0	1206	0	0	0	0	0	0	0	0	0	1583	0	0	2054	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4141	305	0	0	0	781	0	0	0	0	0	428	0	0	0	0	0	0	0	0	0	0	1865	1891	1085	2303	0	0	0	0	1243	0	1552	0	0	0	0	0	0	0	4027	0	0	0	0	0	0	0	24200	3950	0	0	0	0	0	0	0	0	0	0	0	0	0	2682	0	0	0	0	Lipid	0.3125	1.9375	0.0625
20	C16 H31 O5 N1	318.2275	318.22775	0.3178859	318.2276	0	0	0	0	0	0	20956	0	0	0	0	0	0	2489	0	0	0	0	0	0	0	0	0	0	0	0	9306	3203	0	0	0	0	0	0	0	1571	0	0	1512	0	0	0	791	0	0	0	0	0	0	0	0	0	0	794	0	0	0	0	0	0	0	0	0	0	5999	0	0	1858	0	0	0	0	1457	0	0	0	0	0	0	7452	0	0	15179	0	0	6451	0	0	0	0	5302	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3125	1.9375	0.0625
14	C16 H31 O5 N1	318.2275	318.2278	0.21014822	318.22757	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1510	0	0	1542	1555	0	16653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20644	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5896	2109	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3125	1.9375	0.0625
12	C20 H31 O2 N1	318.24277	318.24326	0.20373738	318.24283	5262	5787	6252	6232	1132	3855	7817	25735	0	4838	4206	11775	0	0	12894	27191	8244	0	2845	14610	8194	0	8937	19272	17613	2383	17623	0	22911	21025	17771	18583	13626	24022	3325	24253	8383	7094	1757	5539	0	3745	0	0	0	3192	5710	0	20908	26948	5853	5425	2207	0	0	0	2804	13394	0	0	0	2726	0	0	2314	1813	4104	8760	0	3691	1961	18732	13563	28516	14886	12703	0	13131	3493	0	3293	0	0	7835	0	1367	6221	3263	4976	56012	20262	0	23900	3547	11799	0	5546	5660	1620	0	0	15529	9671	4741	0	21376	0	0	5536	0	Lipid	0.1	1.55	0.05
14	C20 H31 O2 N1	318.24277	318.2432	0.2582379	318.24283	7790	6904	8415	6554	0	0	8395	11889	0	3215	4169	4867	0	0	6566	72223	0	0	0	3966	2219	0	14420	57631	17427	2212	22551	0	3457	8194	7720	10374	10053	7197	3154	4960	9714	9636	3142	6915	0	1266	0	0	0	5420	8907	0	11010	5640	8785	5251	1272	0	0	0	1577	44404	0	0	38107	0	0	0	1153	0	1682	14247	0	1999	2017	9926	11677	6005	10329	12622	0	9732	5433	0	13176	0	0	2010	0	0	4425	2526	1981	60654	24914	0	78933	4685	11812	0	7525	7740	0	0	0	11568	8839	2228	0	86108	0	0	6522	0	Lipid	0.1	1.55	0.05
8	C20 H31 O2 N1	318.24277	318.24332	0.3863521	318.2429	2217	1634	3204	2240	0	0	1392	12829	0	2041	2366	4994	0	0	3077	7671	1056	0	0	2691	2780	0	1715	7060	3946	476	1697	0	4107	6602	5566	3996	3030	3598	1514	3588	3613	1298	1406	1348	0	0	0	0	0	0	0	0	6729	10959	2882	1765	0	0	0	0	0	6996	0	0	6589	0	0	0	0	0	0	4627	0	0	0	6552	3286	3752	3011	4582	0	4915	1559	0	1856	0	0	1722	0	0	1061	0	1128	20424	0	0	16579	0	5493	0	1399	3470	0	0	0	4707	4019	0	0	5215	0	0	2489	0	Lipid	0.1	1.55	0.05
24	C20 H31 O2 N1	318.24277	318.24307	0.1982754	318.24283	1963	1535	1604	1216	2356	0	1279	0	0	0	0	900	0	0	0	5653	3828	1749	0	0	0	3589	0	2541	2644	2633	0	1687	0	1219	1985	4073	1676	1472	0	1491	0	796	1553	935	1726	0	0	0	0	2668	2699	0	2166	2108	3066	1526	0	0	0	0	0	2609	891	4503	3314	0	0	0	0	0	0	4731	2778	0	2921	878	1791	1634	2618	2766	0	1669	2899	2852	866	1456	2906	0	0	0	8504	1219	0	62754	4933	3627	11841	1093	1772	0	1513	0	0	0	0	0	0	2657	0	5015	0	0	4962	0	Lipid	0.1	1.55	0.05
18	C20 H31 O2 N1	318.24277	318.243	0.45867437	318.2429	0	0	0	0	0	0	0	0	0	0	0	1325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2801	0	0	0	0	0	0	0	0	0	0	1651	0	0	0	0	0	0	0	0	0	0	1664	0	0	0	0	0	0	0	0	1484	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3310	0	0	0	0	0	0	0	0	1745	0	0	62026	5483	0	3477	0	1597	0	0	0	0	0	0	1796	3131	0	0	1986	0	0	0	0	Lipid	0.1	1.55	0.05
22	C20 H31 O2 N1	318.24277	318.24292	0.21415704	318.24283	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2269	1793	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1179	0	0	0	0	1140	0	0	0	0	0	0	0	0	0	0	0	1934	0	1222	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1699	0	0	0	0	0	0	0	0	0	0	3025	0	0	24797	0	0	3452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1	1.55	0.05
10	C20 H31 O2 N1	318.24277	318.24326	0.24616364	318.24283	7705	6521	8788	6368	1311	4329	4229	22802	0	5393	2427	9451	0	0	8792	26605	7391	0	1848	9080	4294	0	6176	21159	15507	1662	10480	2929	16484	17009	16722	20914	14898	18042	4509	15670	13868	6654	4365	7086	0	5231	0	0	0	3423	6076	0	22906	17613	10584	7656	4491	0	0	0	1838	20856	0	0	19710	0	0	0	1137	0	2668	17898	0	1361	1590	18766	14306	19659	17187	13538	0	7227	4920	5617	5613	0	0	6340	0	0	5103	3977	5058	38760	16385	0	28925	4705	18553	0	6308	9341	1454	0	0	16863	5596	2494	0	17020	1207	0	3941	0	Lipid	0.1	1.55	0.05
8	C17 H35 O4 N1	318.2639	318.2645	0.2067019	318.26395	0	0	0	0	0	743	1917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1951	0	0	0	0	0	0	0	0	0	0	1096	0	0	0	551	0	0	0	0	0	0	0	0	1252	3789	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	110174	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23529412	2.0588236	0.05882353
18	C18 H39 O3 N1	318.30026	318.301	0.24209775	318.30035	0	0	0	0	0	25664	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	200651	0	0	0	0	0	0	0	0	0	0	23543	0	0	0	97163	0	0	0	0	0	0	0	0	1595	214047	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.16666667	2.1666667	0.055555556
18	C15 H10 O8	319.04483	319.04532	0.33249933	319.04495	16938	13948	11232	15813	40155	29529	6467	3524	43712	3488	2192	7061	82968	41760	12736	4723	2208	74977	61564	1850	0	14700	18546	18691	8720	0	9165	0	0	2831	3668	3866	10069	4325	6434	2365	10000	10956	4321	2232	3703	17994	2459	723	1525	5258	5036	2265	6110	1962	11733	14428	34217	720	47849	33138	25631	6810	4289	4296	5937	1947	86389	46831	19686	60610	20813	3273	0	0	0	3091	2198	0	1918	0	1005	6931	29868	10957	43544	4455	1682	0	59228	35415	25769	24828	34686	7790	5829	6054	8737	8599	9712	1411	16304	11431	29358	53376	45381	8701	6155	3361	2122	11274	32078	1034	7755	78171	Phytochemical	0.53333336	0.6666667	0.0
22	C15 H10 O8	319.04483	319.04532	0.28784406	319.04492	5372	4976	4123	9439	19665	10367	0	2093	16586	0	0	2634	30831	12281	5472	3608	1458	29296	22351	0	0	3972	10728	1528	3340	0	2375	0	0	0	1575	0	2226	0	2313	0	4338	3866	2254	0	0	3240	0	0	1627	0	2236	0	0	1434	5290	6140	12807	1093	22951	18661	10443	3056	1114	0	1381	0	39176	24617	6931	33741	7669	2823	0	0	0	0	0	0	1083	0	1491	1295	15001	0	15486	1222	0	0	26413	19974	15507	5760	8425	1664	0	0	3640	3697	4592	0	5176	4017	8756	27748	28228	1906	2788	0	1617	1352	15208	0	4154	44665	Phytochemical	0.53333336	0.6666667	0.0
8	C15 H10 O8	319.04483	319.04544	0.3552255	319.04495	3003	2485	0	2845	14225	3373	786	0	13857	1689	2920	1583	21756	3315	671	0	0	8928	13430	1230	2826	5448	1651	0	0	0	0	0	0	0	969	0	1307	0	4947	0	0	1908	0	0	1046	3605	0	0	0	0	1656	0	0	0	2690	2176	5187	0	8083	14598	5691	0	0	895	0	1034	25690	19037	3251	11001	1939	0	0	0	1756	0	0	0	0	0	0	637	2963	0	2595	1125	0	854	12309	3914	1622	3943	3789	1238	0	0	0	6204	2647	0	3316	2088	11157	25346	18231	1066	1268	0	0	0	10069	0	0	19974	Phytochemical	0.53333336	0.6666667	0.0
28	C15 H10 O8	319.04483	319.04526	0.3498171	319.04495	4920	5014	5488	5237	13476	8148	5257	0	11677	1197	0	2471	20609	8405	3146	2767	2146	22659	17822	2491	0	3230	5408	2821	2074	0	3870	0	0	0	2808	978	2833	0	2154	0	3834	3687	2620	1062	1584	2499	0	0	0	0	0	1645	1752	0	5295	4808	9106	0	13937	9842	3670	1309	1493	1550	1841	0	20960	10362	4280	15680	4684	2423	0	0	0	1178	0	0	0	0	0	1475	12503	2029	12269	0	1058	0	20267	8084	8054	3834	4238	1962	0	1388	3733	2802	0	0	4224	3920	6841	14631	11935	2392	2876	0	0	3652	9067	0	2958	21376	Phytochemical	0.53333336	0.6666667	0.0
24	C15 H10 O8	319.04483	319.04523	0.28447065	319.04492	3581	6729	5105	2432	18058	9882	2474	0	13852	1934	0	2194	28891	9917	5274	2835	1827	21067	20524	0	0	2821	5489	1822	1902	0	2315	0	0	0	0	0	2064	0	0	0	3877	3473	2193	0	0	3465	0	0	0	0	0	2840	1077	0	5218	4516	12856	0	18710	13313	8946	1464	0	1169	1710	0	38170	14897	3893	18608	4804	1447	0	0	0	0	0	0	0	0	0	1600	13554	3347	16364	0	0	0	26293	11615	10271	4444	9289	3305	1440	1312	1622	2317	0	0	3916	3275	7864	16421	20582	3304	1651	0	0	2754	11141	0	3136	28751	Phytochemical	0.53333336	0.6666667	0.0
20	C15 H10 O8	319.04483	319.04532	0.31188318	319.04495	10387	8512	4475	9323	36723	26218	5377	0	26407	0	2023	3764	52715	31771	7692	5402	4083	48004	35233	0	0	9277	15012	5954	4662	0	2050	0	0	1688	2582	1636	7162	0	1813	0	5577	10151	2612	1925	1626	5768	1717	0	1082	2123	2070	3160	1980	1636	6904	9860	26516	1198	34053	24394	15284	5722	1876	0	3903	1233	52377	33279	12145	49285	11744	2430	0	0	0	0	0	0	0	0	1334	2492	23340	6145	19792	3180	0	0	41327	23554	18117	17286	14793	2002	0	0	5194	9375	3939	1225	8054	6443	19682	36784	42832	4919	4556	2911	1486	4507	23539	1322	6789	66265	Phytochemical	0.53333336	0.6666667	0.0
26	C15 H10 O8	319.04483	319.04526	0.3011397	319.04495	5864	4150	4522	5868	15648	8737	0	0	13751	0	0	3083	19567	11271	0	0	0	23380	22839	0	0	1845	6278	7367	0	0	3234	0	0	0	0	0	2338	0	1426	0	1722	5210	4609	0	0	0	0	0	0	0	0	0	0	0	5357	4411	10475	0	17771	11396	4964	3294	2646	0	0	0	28166	16537	2806	21233	3988	2381	0	0	0	0	0	0	0	0	0	2899	13521	0	13148	0	0	0	17891	9436	9068	5343	4212	1740	0	0	4954	2894	0	0	5201	5408	6440	14468	16145	0	0	0	0	2691	7588	0	7258	27590	Phytochemical	0.53333336	0.6666667	0.0
12	C14 H10 O7 N2	319.0561	319.05664	0.34759516	319.05618	5503	9601	5654	7091	9288	6083	4688	6835	9755	2770	0	5953	11853	2719	4355	7735	13929	12367	16343	0	4263	10384	8265	5629	1800	0	0	0	7020	5385	7649	5578	9186	7893	5147	8924	12105	5855	15720	2570	5950	8059	0	0	0	0	3835	0	7584	6409	8764	8872	8132	0	10856	6783	4469	11783	0	0	0	2490	23020	12672	5251	14615	7009	17385	0	1292	1362	6774	8170	2568	8480	6227	0	5141	3629	0	6662	1963	0	0	5925	4956	8360	9989	9930	18985	0	3363	12055	4417	4624	0	9471	5992	4415	8278	5200	10197	6796	2576	0	10949	4308	0	4050	22928	Unclassified	0.5	0.71428573	0.14285715
6	C20 H14 O2 S1	319.07874	319.07962	0.62235576	319.07892	0	717	0	0	1385	0	0	0	1149	0	1219	0	702	549	0	0	0	713	0	0	946	0	734	798	0	856	655	0	0	0	0	0	0	0	0	0	0	0	0	0	1355	750	0	0	0	0	0	0	0	0	0	0	0	0	1147	777	899	0	916	1191	0	0	1397	1826	0	1514	969	0	0	1410	2997	0	0	0	20185	0	0	0	925	0	592	0	307	0	966	0	0	0	639	0	0	878	0	0	1467	0	938	618	1460	1814	787	0	0	0	0	0	1112	0	489	0	Organosulfur	0.1	0.7	0.0
16	C13 H18 O7 S1	319.0846	319.08505	0.054037824	319.08463	270985	282076	245726	253402	390145	266726	125981	145761	419817	408858	272896	116596	654998	227792	184434	183751	121883	654202	565294	337560	330774	356795	216722	171535	143956	215971	110074	187515	134676	105595	140655	150498	237144	113336	504005	119824	248529	151733	138766	287194	257915	192439	12170	3683	5702	202719	205058	6219	160071	111040	273572	259801	304964	4256	431313	317258	200010	224576	154602	131843	211415	197115	561925	373897	155232	497242	247646	132877	257537	317459	320967	126532	116292	86996	103991	125970	4567	114619	280519	284677	204289	177937	110062	185765	393751	219990	276047	216821	249704	209191	214965	261036	268609	327469	405299	7778	246722	258186	292814	351540	377278	203375	110184	149339	125307	179563	286533	4843	146692	618994	Organosulfur	0.53846157	1.3846154	0.0
20	C15 H14 O6 N2	319.09247	319.09293	0.34061006	319.09256	6793	7034	5303	6202	9871	6617	8914	7794	5694	9848	6231	6831	5395	4535	5137	9718	14452	8854	8685	3025	5758	13314	8550	7868	5322	2091	7935	2608	6051	4786	6231	4309	8988	7174	9365	3457	9236	6830	11817	11709	19629	7578	771	0	776	4950	11518	857	6352	2352	8269	7120	8267	851	7980	5786	6490	9114	3329	4960	9017	9057	5848	5679	4742	7385	8530	8031	3739	7527	5399	4938	2881	2063	6984	2492	501	5685	15633	16023	9265	8713	3878	0	3700	4891	10237	12288	8610	20794	9577	6112	20720	16669	8819	942	5289	5918	3997	6943	3697	9826	6513	7571	4046	11804	5407	586	7975	11370	Peptide	0.4	0.93333334	0.13333334
8	C13 H18 O9	319.10236	319.10294	0.37163574	319.10248	8505	3125	6245	6346	9075	6765	2758	3396	16308	0	4031	3838	26782	5445	3018	0	5296	16934	19289	0	3481	0	2779	2224	1645	0	2285	0	5795	2243	3097	2874	7176	5311	4003	5370	4215	0	4028	0	0	7039	0	0	0	0	0	0	4051	3245	3635	6417	8476	0	21936	12269	5372	2207	2051	0	0	0	21660	17885	4593	15162	6004	6155	0	0	0	3863	4507	4506	3122	4109	0	2539	3369	0	0	0	0	0	14168	6088	2198	6277	7181	1689	0	11174	0	0	0	0	6408	5914	8321	16962	12317	6711	3317	0	0	0	11831	0	1403	24121	Unclassified	0.6923077	1.3846154	0.0
8	C8 H19 O4 N6 S1 Na1	319.1159	319.1161	-0.35344386	319.11578	1531	2125	2545	1560	2101	0	2304	1439	1793	2293	0	2373	0	1440	1329	3527	1705	1513	0	2311	1998	2193	1130	0	828	1488	2148	0	1487	1235	1024	0	1368	1776	1263	1341	1419	2126	1954	2085	4558	1330	503	0	0	2359	0	0	1728	1643	2176	2317	2789	311	0	2812	2167	1550	4358	3515	0	4195	2058	1849	0	1624	2900	0	0	3260	4641	1355	1452	0	60466	1250	0	2782	2909	0	1692	2249	2658	1828	3063	0	1563	0	2039	3497	0	0	2072	0	2090	0	2891	1554	0	2444	2594	1384	1967	3275	0	1191	3582	0	3071	0	Organosulfur	0.5	2.375	0.75
22	C16 H18 O5 N2	319.12885	319.1293	0.3095577	319.12894	8470	6436	3707	6572	7454	6739	5599	9311	4974	3890	4894	5822	0	0	6994	13436	11531	9318	3489	3036	3293	6511	6747	16163	8515	0	5235	3181	8199	4022	8093	8583	13307	6110	3910	7366	13441	5350	12437	6007	8465	6975	0	0	1068	4363	3635	0	13069	6739	8569	6968	7967	741	4333	2746	5623	11119	2466	4242	10735	2878	2768	3414	4197	3086	3320	14777	2213	2829	4244	7327	7371	3507	5041	6567	890	7235	8688	7482	13445	3026	1610	5399	5685	3049	14641	10835	6659	20107	12786	9773	17741	6009	8299	0	6923	8827	4787	3926	5621	14978	8845	6108	1820	14995	4211	0	14495	6913	Phytochemical	0.3125	1.125	0.125
12	C16 H18 O5 N2	319.12885	319.12936	0.18010779	319.1289	252185	293614	294028	266276	175314	148565	273801	290243	143442	255640	181371	174848	134746	83894	201987	332765	426153	220136	252970	310024	322104	410877	238665	364417	237887	204913	240310	152292	265359	242227	270311	285915	381610	265234	327551	256577	365110	208072	488236	308838	368517	153882	2684	1062	822	253393	238572	867	337901	261353	265112	263499	174916	1046	166102	100773	110905	346439	187591	248720	331047	190254	173277	140669	97737	191850	158648	524068	197232	350324	384005	233326	219322	213834	282192	237632	651	203388	283315	218309	268416	170866	200938	176890	130629	109540	321027	183556	191865	607879	246878	274724	529646	203176	258295	1660	275686	286468	119270	135080	132175	333847	181162	236882	134711	347086	137572	992	281169	212414	Phytochemical	0.3125	1.125	0.125
24	C13 H22 O5 N2 S1	319.13223	319.13306	0.38007548	319.13235	4475	5514	5990	5433	6409	13579	5466	6538	6066	3292	9129	3998	4237	6258	4492	8328	4783	4975	7435	4919	7052	5222	3741	4677	1933	27955	3901	8723	12333	6142	5036	6786	3013	8887	4861	5814	4368	3664	4808	6238	8421	51140	0	0	0	4633	4573	0	10561	5866	6842	6088	10017	0	4823	2556	6075	8156	3064	4876	6852	3848	2573	2956	4894	5817	14312	4126	23856	9655	17344	3335	5579	5313	10530	3806	0	3828	3615	8658	2501	5111	3852	7032	6250	3743	4743	6681	47760	5156	2918	2587	9239	4017	5336	0	3947	4963	5150	3478	4006	4705	4000	7146	2876	5502	3699	0	3197	4017	Peptide	0.3846154	1.6923077	0.15384616
8	C13 H22 O5 N2 S1	319.13223	319.13248	-0.33588204	319.1321	0	1106	1276	0	0	999	898	2366	0	0	0	0	0	0	966	0	1327	0	886	876	978	3274	1139	1008	993	567	712	0	1196	0	720	1081	0	929	0	822	1623	567	0	0	1483	0	0	0	0	0	1339	0	0	0	1445	1308	0	0	994	0	0	0	928	989	0	0	0	0	0	1131	0	2975	0	0	0	944	916	0	0	0	0	0	0	0	0	663	0	0	0	0	928	0	656	2010	21025	12864	4236	0	0	0	1516	1647	0	0	0	0	0	0	0	1369	0	0	0	1596	Peptide	0.3846154	1.6923077	0.15384616
20	C21 H18 O3	319.13287	319.13333	0.32007417	319.13297	0	3932	3656	4390	4351	2408	2977	4274	3591	3319	3903	2214	0	1926	3782	3669	2824	1847	2619	6440	2778	2245	1868	3596	0	17606	2803	5053	1694	4630	4050	3318	5695	1263	3132	2154	3549	1363	4679	5062	5501	2946	0	0	0	4041	3865	0	1605	3259	2970	4268	2125	0	1731	1802	1842	5692	1574	4291	2111	2521	2827	1713	0	3848	3383	4965	16834	6124	22656	2334	2497	2951	3919	2491	0	1189	6060	2564	5105	2129	2241	0	2281	2564	5139	3530	3380	4490	3169	2206	8895	4286	3130	0	1843	2939	4872	2051	3371	5234	3206	5173	1890	3649	2330	0	3662	2596	Phytochemical	0.14285715	0.85714287	0.0
22	C21 H18 O3	319.13287	319.13336	0.3416305	319.13297	7556	7811	3206	5703	5877	4462	2797	3988	5190	5096	7262	2525	4101	0	1825	7610	3687	5778	5462	3741	6031	8191	3623	5753	3396	31043	3106	11666	4728	2679	2982	5160	6020	3527	8721	3441	4554	2674	6290	7773	12517	5654	0	0	290	3109	6780	0	4477	3471	5868	3872	5005	243	2070	3308	4219	3386	3721	5101	3643	4272	3703	1442	3980	5255	11316	5213	23335	15466	32938	2196	3561	1655	1871	6179	0	2018	5897	4384	3648	5676	5259	5172	3057	3125	6470	4820	4591	9914	2985	4656	7106	7339	3180	0	5262	5181	4126	3886	2873	3500	3554	4607	2544	4169	3984	0	4938	1987	Phytochemical	0.14285715	0.85714287	0.0
2	C15 H18 O4 N4	319.14008	319.14075	0.2434076	319.14017	7238	5764	4659	6046	3127	0	3975	5749	4184	3530	4409	5097	3704	1740	6315	1797	8292	3757	4564	4524	7612	8405	5394	6234	4401	1876	1451	7797	5615	2656	4741	4729	7438	4518	5809	5345	6208	0	8367	6309	8891	0	0	0	0	3684	4067	0	3994	4174	7124	4380	3645	0	4528	2124	2804	5482	2109	4113	2527	2388	3800	3163	0	5052	4551	12501	2481	3499	4761	4356	4127	2676	1512	4077	0	3518	8379	35830	5865	2360	2476	3532	3007	2815	7382	4271	3221	19867	7521	9225	16506	5783	969	0	6743	5147	2862	1823	2413	4074	4470	3736	3141	8444	2126	0	6601	3765	Peptide	0.26666668	1.2	0.26666668
4	C13 H22 O7 N2	319.14996	319.15067	0.2929915	319.1501	9163	10594	8516	10701	7761	11430	10220	11144	13068	1975	4480	8449	15756	5767	10434	12691	31392	11223	10609	1927	1918	6292	9634	11284	9502	0	9548	0	12535	10003	10596	10386	16645	9864	3183	11368	15184	10021	35049	0	1047	7709	0	0	0	4996	2791	0	9347	10651	9696	9349	7082	0	14534	6601	6995	10562	5731	3622	10123	0	12371	9110	5789	10640	7477	24250	0	0	0	11573	11549	10623	6641	9130	0	9417	7598	6878	6145	3578	2512	0	8824	10555	7545	8754	9647	13878	0	0	18489	2756	0	0	11093	10788	8045	8135	8926	13075	9216	4680	0	9906	11630	0	8907	16464	Peptide	0.53846157	1.6923077	0.15384616
0	C13 H22 O7 N2	319.14996	319.15063	0.12920377	319.15002	9393	8517	9831	8662	10551	24429	1838	15669	12568	2711	0	4990	17736	11221	4915	0	5627	21052	13120	3132	5787	8344	6448	11726	6476	0	0	0	20200	6341	14849	17719	29460	41375	5682	18883	22115	3547	7892	2492	0	12546	0	0	0	5151	0	0	14800	7121	8742	9092	13427	0	8324	5100	2031	16376	2996	0	5563	0	18504	9534	5147	20259	19958	6953	0	0	0	50082	33806	14084	0	17186	0	6563	2972	0	2165	0	0	0	2719	3182	3566	18985	16973	5635	10199	8733	13093	0	0	0	9653	7798	6740	2778	3361	12173	4493	4755	0	18082	8354	326	6044	35754	Peptide	0.53846157	1.6923077	0.15384616
14	C13 H22 O7 N2	319.14996	319.15067	0.593995	319.15018	8490	5241	5111	9739	0	0	0	0	0	22768	152786	1145	0	0	0	0	0	1656	0	0	0	0	0	0	0	0	0	1505583	0	1830	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10256	7379	0	0	0	0	0	3568	0	0	0	0	0	0	0	0	0	1314	0	0	0	1354	0	1412	0	0	0	0	0	42417	1176	0	0	0	0	0	0	0	0	0	118743	140032	0	7928	5894	0	8505	3917	0	0	0	0	1033	0	0	1782	0	0	0	0	Peptide	0.53846157	1.6923077	0.15384616
22	C17 H22 O4 N2	319.16522	319.16565	0.30005917	319.16534	1594	5356	5490	0	1643	2325	3844	6100	1152	2213	1992	1092	0	0	3688	3150	2569	2515	3524	0	1917	1737	3362	4450	4803	0	2884	21173	6664	5951	7458	5697	7020	4189	0	5569	4486	6543	4970	1713	4279	1959	0	0	0	3441	2396	0	5139	2972	2619	2011	2296	0	1572	0	2040	5469	1411	1515	3592	0	0	2268	0	0	2137	3385	3046	2890	2470	3983	3859	4466	2329	2269	0	4772	2371	1938	2425	1743	2386	1293	1409	1390	3557	4527	3174	3098	10142	7676	5254	4262	4270	0	2400	4730	0	1504	0	6203	2424	3114	0	5810	1825	0	4385	1683	Phytochemical	0.23529412	1.2941177	0.11764706
20	C17 H22 O4 N2	319.16522	319.16568	0.22067419	319.1653	12805	8998	13036	9652	10860	8515	9576	10036	2500	12812	7847	10552	2513	8273	8206	14101	10091	6615	9880	6124	8861	13696	6918	21159	10672	4943	9085	27027	6408	11796	10650	15688	14903	13051	8040	11457	20960	8035	12540	13089	20235	10148	0	0	0	8494	8481	0	13559	4848	11557	9634	10500	451	4125	4090	3115	13756	6229	9003	17555	9193	5553	4558	2954	5115	10890	16760	7622	10724	17810	14744	10132	5770	8067	9901	0	6285	5489	15574	6413	8703	8483	10425	3261	5742	10132	9501	7905	22854	25166	20345	34425	8763	6586	0	10557	14253	5312	4761	0	20768	7187	14577	4780	19623	5035	0	12612	7043	Phytochemical	0.23529412	1.2941177	0.11764706
10	C17 H22 O4 N2	319.16522	319.16574	0.16251644	319.16528	123020	117647	111152	102704	67141	54133	76673	129474	58784	166625	86699	66253	56131	45379	81110	148790	92537	65973	90834	196603	203440	167175	82951	169390	100269	132256	84199	89055	101597	112623	97716	132835	181052	116628	185162	111176	171293	72889	117967	158203	145584	58650	687	0	0	117843	105705	0	158445	100418	121577	105959	63616	0	51527	29823	29151	156937	36132	71646	147710	81044	50958	47026	32006	59541	59119	118642	106612	195019	190955	120956	110575	93651	102003	107709	0	78136	83536	71752	78306	51813	52294	90398	45370	34065	87086	70069	69329	159233	154897	112776	332972	97410	161100	0	119486	112307	34708	44785	39722	139749	76207	119347	49503	162392	43337	0	89655	63919	Phytochemical	0.23529412	1.2941177	0.11764706
12	C17 H22 O4 N2	319.16522	319.1657	0.12736368	319.16528	96157	109891	94860	96919	40506	47079	88088	124151	33864	123711	89125	60962	32614	26689	68526	130309	107816	48941	79851	170945	161154	132541	71269	136294	94886	118713	76330	76655	109008	93927	98982	113400	135605	106054	143056	115955	131690	66908	125291	140450	172762	49500	751	0	0	112663	116570	407	118424	104724	115232	101469	54451	0	44146	27752	32767	115873	47371	94856	101158	79115	38463	39089	26018	37509	47252	119761	83755	163524	180227	94037	93618	85422	98271	100390	0	71674	78483	80901	71568	67127	63570	97703	25508	30372	78975	54989	63547	173523	148350	111050	178615	89869	131170	583	100867	103085	29268	35083	33053	126166	59527	111460	46805	113400	37276	0	87437	49678	Phytochemical	0.23529412	1.2941177	0.11764706
6	C17 H22 O4 N2	319.16522	319.1658	0.18585917	319.16528	113383	127326	113280	116898	38831	48181	81343	143353	39231	177959	83709	66007	38015	28730	83940	149117	104427	57891	84428	208341	217515	156730	80082	168075	99434	126910	75998	83321	134185	112497	116245	136995	162015	123435	209328	119559	161493	73177	144391	138439	135942	56300	0	0	0	119604	128089	0	159032	116118	119696	113410	55760	0	49606	18301	28706	143635	17732	44023	148782	83127	37089	36659	26266	49737	66267	155467	92233	205772	191252	113880	109122	107696	90139	102615	0	69730	88824	87130	75171	39881	41763	112429	26340	36115	97163	66738	64217	205285	281855	128058	236971	98421	172969	0	114635	112065	24654	20836	25964	141864	66661	151524	51491	138271	27302	0	86552	44137	Phytochemical	0.23529412	1.2941177	0.11764706
0	C17 H22 O4 N2	319.16522	319.1659	0.012434126	319.16525	9403	11381	9165	7747	2852	0	9989	15907	2526	8440	6578	9344	2458	0	9578	3074	24221	4519	5132	8704	16010	11760	9678	11749	4177	6637	3246	8182	10363	6781	11747	13261	16214	13290	15853	12479	12859	8166	27920	10186	14693	6363	0	0	0	6090	9030	0	14305	9575	9143	8683	4193	0	3877	1533	2978	11852	4918	10870	6149	7395	0	3228	5891	3828	6898	29608	5555	6102	5989	11276	16940	13938	2268	14163	0	7234	10688	15754	9759	4543	7784	6697	2233	3678	10243	5318	6343	12755	12461	8513	14761	13679	4941	0	10564	9981	2438	1121	1921	9303	5728	10331	5445	11465	1947	0	7898	3049	Phytochemical	0.23529412	1.2941177	0.11764706
16	C17 H22 O4 N2	319.16522	319.16565	0.109093264	319.16528	76421	81949	78157	89508	36939	44444	98951	86623	27166	94912	62826	65783	30246	26409	66311	97610	82217	42929	55255	110587	108042	117491	72108	105680	64437	70361	88095	80419	78153	89793	93417	98837	110139	86102	110773	95520	114544	67581	102463	110848	132359	47331	1010	0	0	92685	81390	423	111242	88033	82008	79722	45671	249	26623	23625	39498	105053	58325	80726	90354	65871	26271	23060	28344	37147	46046	110754	63549	110650	112635	89002	88318	92198	85707	85723	0	57154	99518	81583	98793	59800	70931	78337	23307	35006	120062	59745	50786	152948	116442	104494	149376	77939	117846	468	80652	75594	30440	19462	31177	112020	57085	83299	41059	112286	34670	0	123677	34387	Phytochemical	0.23529412	1.2941177	0.11764706
2	C17 H22 O4 N2	319.16522	319.16586	0.1938603	319.16528	54113	56059	46599	48152	18171	26453	43306	74904	17104	64268	37046	39522	20538	15013	50331	53018	66791	29264	36566	79002	96135	78909	44424	66150	41942	41248	31030	34097	70067	52178	56053	59335	72503	58349	83602	64431	69184	40212	80079	76818	69487	33414	392	0	0	43733	54211	0	65655	54753	53327	52534	25689	0	31923	9973	16915	57191	18388	30931	48386	36631	18536	25169	14979	26140	33667	94050	39617	69250	76827	52114	54014	58137	56599	55317	0	42078	54115	44607	43754	22908	32123	43106	11260	19012	46738	33656	34337	86537	48599	50663	101274	49882	59203	402	54654	60813	12900	10192	10333	60538	36836	78512	28946	51899	13269	0	42524	21814	Phytochemical	0.23529412	1.2941177	0.11764706
14	C17 H22 O4 N2	319.16522	319.16568	0.10894768	319.16528	116677	123856	121922	113224	56436	52273	143477	145445	40347	119416	84953	89864	42948	36625	85309	141567	135175	62473	69405	148438	149689	158729	76748	170011	96841	99158	121912	89535	135881	132002	134499	197626	192593	175034	141201	147724	176934	88106	149930	155690	160261	63044	0	0	0	109270	115762	349	173818	131541	117586	117520	58758	381	46978	32138	44949	170102	82985	110530	123634	78795	32642	39250	40034	58787	58963	164153	70751	133318	154679	164087	159536	149521	125209	140573	0	102728	87638	85560	93035	83032	90849	105375	31446	39441	100637	86193	70388	207319	162465	122176	202572	103847	157829	696	122651	114414	39119	47424	48844	163953	100294	140053	52406	159710	47232	420	122834	42511	Phytochemical	0.23529412	1.2941177	0.11764706
18	C17 H22 O4 N2	319.16522	319.16565	0.0920471	319.16525	38487	39781	32896	33099	18535	21286	26290	31196	16702	37941	28931	23645	9710	16427	29896	45883	29826	22791	25623	48597	43207	55242	29408	44522	30537	31728	24395	38267	29696	31882	29090	42826	48667	43571	40480	30222	49095	24367	35676	51418	54911	21495	623	0	0	30942	26655	0	47379	32318	32578	39400	19554	0	14042	8391	19010	56333	26220	29039	32436	30108	10832	10654	12285	18673	22271	70059	27117	43191	51781	34331	25537	33329	25785	31160	246	18662	31770	32228	22275	23610	28239	29070	9486	16305	39011	32047	22146	55596	59300	49877	76222	32009	50726	0	33992	32650	14824	9838	8271	53089	23064	47766	16823	43680	15481	0	33026	16487	Phytochemical	0.23529412	1.2941177	0.11764706
26	C19 H26 O2 S1	319.17264	319.1731	0.4097881	319.17276	0	0	0	0	0	0	0	0	0	2578	5231	0	0	0	0	0	0	0	0	4702	5244	7264	0	0	0	22345	0	7782	0	0	0	0	0	0	4535	0	0	0	0	4990	8719	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4034	4088	0	4157	0	0	0	0	0	0	10878	7912	13283	0	0	0	0	0	0	0	0	9771	0	4133	4766	8101	0	0	1997	0	0	0	6690	12319	0	13773	9162	0	3124	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.10526316	1.3684211	0.0
22	C15 H26 O7	319.17514	319.1754	0.21225263	319.1752	2042	2506	1700	3466	1309	0	0	0	0	0	0	0	0	0	0	0	0	50967	0	0	0	1397	0	0	0	0	0	41272	0	0	0	0	0	0	11847	0	2123	0	0	0	0	0	0	0	434	0	0	0	0	0	3081	0	9379	565	0	0	0	0	0	0	0	0	4164	0	0	3564	0	0	0	0	0	0	153278	126019	0	0	321	0	0	0	0	0	0	0	0	0	0	14818	0	0	4339	7846	0	0	0	0	0	3161	1188	0	0	1393	0	0	0	0	0	0	0	5033	Lipid	0.46666667	1.7333333	0.0
20	C15 H26 O7	319.17514	319.17554	0.41593504	319.17526	2737	2332	0	4024	0	0	0	0	2801	0	0	0	4979	0	0	0	0	0	0	0	0	0	0	0	0	0	1340	869757	0	0	0	0	0	0	0	0	0	0	0	0	0	0	902	1042	459	0	0	665	0	0	2704	0	0	707	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	537	0	0	1589	0	0	1823	0	0	0	0	0	0	0	0	0	0	0	0	0	3176	3154	0	0	0	0	0	0	2350	0	0	822	0	0	Lipid	0.46666667	1.7333333	0.0
18	C15 H26 O7	319.17514	319.17538	0.023301076	319.17514	2083	0	0	2325	1368	0	1159	0	0	0	0	1049	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	337388	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1609	1192	936	0	0	1020	0	0	0	0	0	1135	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	688	0	0	2659	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1267	0	0	0	0	0	0	0	0	0	0	0	1177	0	0	Lipid	0.46666667	1.7333333	0.0
20	C16 H27 O1 N2 S1 Na1	319.18146	319.18195	0.30289552	319.18155	7733	5637	3482	4526	4265	2447	6015	5515	3304	4904	5735	4453	5454	4520	4844	10299	9078	5580	5514	10748	10558	5682	4825	5148	3537	21254	4659	7271	6414	6019	5076	9671	9042	7490	10599	7159	6479	3119	8444	4206	7732	3182	0	0	0	4784	7091	0	6699	7938	6506	3955	5348	0	2723	4239	3057	5176	4696	8049	7198	3653	3791	4101	2064	3300	3909	10917	12916	19676	18731	5571	5424	6780	7507	7829	0	2840	5536	5561	3064	0	4083	0	4430	2737	7671	6006	4168	11061	4764	7473	7406	5813	4000	0	7064	7657	2760	5790	6538	7478	4100	7175	1982	3159	2532	0	5378	4202	Organosulfur	0.0625	1.6875	0.125
6	C16 H27 O1 N2 S1 Na1	319.18146	319.18192	0.071316555	319.1815	0	726	0	0	0	1659	0	0	0	0	1230	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6154	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11810	0	0	0	0	0	0	0	0	0	0	49329	5666	0	1395	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0625	1.6875	0.125
8	C16 H27 O1 N2 S1 Na1	319.18146	319.18167	-0.003448968	319.18146	0	0	0	0	0	2580	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7937	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6031	0	0	0	0	0	0	0	0	0	0	61640	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0625	1.6875	0.125
18	C19 H26 O4	319.1904	319.1908	0.16782065	319.19043	858799	834889	776262	741525	649367	492651	882601	868433	453632	671588	619351	598905	580717	545889	615079	1078318	1412613	610849	819288	883196	878955	647128	620802	806667	591346	1348702	951858	595398	869883	878109	716198	925194	938782	818167	616866	927020	890261	601361	1488001	564384	804713	638321	26011	7554	5979	449707	543999	10441	955943	800269	835125	803693	597106	10872	635698	711732	508562	1059298	431450	720058	889406	399730	637264	489423	437830	640191	633350	1540053	1012502	1075432	1611315	573087	661014	875488	1325693	904633	5522	498103	946920	610044	678373	432859	754966	628523	772377	616364	1005611	628390	636593	1377051	832391	781570	1020695	493431	686777	11941	816574	768129	644556	1087726	1282959	1064275	545151	773907	284053	721269	530714	7834	762242	458584	Lipid	0.21052632	1.3684211	0.0
12	C19 H26 O4	319.1904	319.1909	0.18853562	319.19046	73692	73834	68296	68576	26578	24805	80382	63029	28089	30868	38124	44640	17293	23159	43501	110286	97432	24905	39249	48275	26703	72303	43650	92191	53013	38147	93695	26637	61274	71887	48346	78397	56262	44172	28610	67360	57634	48677	103928	26297	42119	29879	5888	4792	4907	43508	52002	6295	77002	71906	68249	80171	23229	3810	37062	33054	31216	98240	33238	48932	70415	19106	31954	21873	21297	20268	23686	107503	21820	40906	42384	37686	51515	73830	114419	82236	3557	36051	62941	33684	53709	34840	50902	28476	39207	32162	73576	28365	27445	154007	66242	58874	86602	21216	55179	5700	77342	67637	37092	49083	51372	80743	43946	61093	19404	56920	38633	4313	67902	19690	Lipid	0.21052632	1.3684211	0.0
16	C19 H26 O4	319.1904	319.19083	0.15454188	319.19043	340399	365177	338818	349054	252556	215912	459178	373164	206245	222936	208743	291631	220500	206732	293615	508478	787082	235963	307639	305949	313290	295434	281468	393367	301900	406331	441664	201816	380157	382178	328847	434536	422455	268470	244250	423774	361622	283010	804638	214153	319145	259664	14414	7167	7293	200791	269802	9228	444944	378785	361294	340758	252193	7097	235974	255791	219425	498549	199882	347331	423357	134638	260105	192353	187733	234057	239115	691454	336520	383315	481504	255183	326958	413797	668935	410459	6587	231072	441537	265347	310493	190043	398877	293791	346467	236529	486870	236948	247574	845242	340577	304192	508368	204640	263103	10124	348788	370071	254017	401186	462636	483013	230149	297671	141992	394926	269278	5954	385544	211820	Lipid	0.21052632	1.3684211	0.0
14	C19 H26 O4	319.1904	319.19086	0.1925295	319.19046	160437	144184	128482	150700	83187	74309	178452	152794	76156	83960	87470	123167	81215	72965	114597	197600	276678	76640	92281	100848	96096	116937	110759	157809	115213	115906	203806	83404	129246	161536	125283	159810	150232	107383	86533	165131	142899	126352	292843	82194	115353	91839	11506	4618	4952	94628	126107	6761	167648	145628	147162	140866	84467	3827	98682	96788	90449	200237	83766	149702	154346	51803	97374	74478	71015	80833	85304	297106	94292	104236	155200	92439	113853	152799	217170	165362	4131	102250	183046	98859	143198	73477	137490	91568	127451	92276	215310	79424	96928	352344	123046	126042	195047	68542	102828	7435	136999	135326	94151	169473	180424	164334	106098	134611	65230	138890	99142	4822	165588	60149	Lipid	0.21052632	1.3684211	0.0
8	C18 H26 O3 N2	319.20163	319.20218	0.23176216	319.2017	13487	14187	11736	12737	4762	4908	7912	14909	1679	21058	8927	6923	883	2636	10443	21704	10958	3861	7419	31487	31548	14803	10026	23948	12628	17862	6748	10814	14811	11982	13889	15112	14559	13123	29182	13516	19704	8623	14173	20582	11321	5356	0	0	0	14666	10659	0	21278	14662	14640	13332	4712	0	2211	1488	3236	17557	0	960	15251	6708	2012	2024	0	3033	7356	18332	10953	30478	22921	14112	13470	10002	13507	12019	0	8641	8255	13511	7749	757	1099	16209	726	0	9211	7110	7073	32497	20616	0	37533	12223	23392	0	11868	11982	1516	600	0	14902	8955	11539	0	16101	0	0	11652	1967	Lipid	0.16666667	1.4444444	0.11111111
16	C18 H26 O3 N2	319.20163	319.202	0.14333442	319.20166	1889	3579	4207	3078	0	0	0	0	0	2275	1657	2045	0	1173	2507	8211	5126	0	0	5336	4289	0	1740	4211	4433	4946	1590	3263	4538	0	1775	0	0	3218	2042	4479	2887	1941	6359	2182	5132	0	0	0	0	2931	2258	0	5562	2719	6261	4641	0	0	0	0	0	5340	0	4224	0	1669	0	0	0	0	0	6641	0	5977	4559	2231	1949	1700	2463	3219	0	1090	0	0	1831	1946	2161	1511	0	0	10735	2196	1637	0	148722	6327	0	2558	5611	0	1871	3162	0	0	0	3410	0	2402	0	0	0	0	3298	0	Lipid	0.16666667	1.4444444	0.11111111
20	C18 H26 O3 N2	319.20163	319.2019	0.06287568	319.20163	1782	0	1523	2736	0	0	1167	1791	0	2513	0	1026	0	2017	0	2863	2766	0	0	4867	0	1863	0	2171	1564	1477	1733	0	0	0	1437	2230	0	1693	0	0	0	0	3226	2387	3048	0	0	0	0	1689	0	0	1424	1475	2037	2931	0	0	0	0	0	2779	0	1470	3593	1176	0	0	0	0	0	4747	0	2566	0	0	2242	0	1534	1701	0	0	1423	0	0	0	0	0	0	0	2302	0	1296	6946	40583	11288	2257	2885	1990	0	2468	0	0	0	0	0	1451	0	0	3646	0	0	2013	0	Lipid	0.16666667	1.4444444	0.11111111
4	C18 H26 O3 N2	319.20163	319.20224	0.20780611	319.2017	10958	12306	11080	10974	1789	3069	7549	16257	1646	15662	6591	7556	883	981	12005	19412	12896	3056	5843	20667	20558	11593	9505	20272	11551	11135	10096	5717	12458	11837	12355	13611	14228	12553	19840	13934	14519	8277	14041	14690	13313	3879	0	0	0	9873	9287	0	16918	13782	10258	8259	3783	0	2266	719	1988	15605	0	474	16837	8868	1079	1350	1920	2788	4616	14261	6940	14174	14328	11258	9184	15687	14497	9996	0	7906	8407	9726	8454	1723	2124	11156	659	2665	7732	4613	4930	21460	17958	5605	29437	10544	17230	0	10691	11922	1043	0	397	14126	7626	16221	5402	12503	1046	0	9069	923	Lipid	0.16666667	1.4444444	0.11111111
6	C18 H26 O3 N2	319.20163	319.20218	0.23431878	319.2017	15067	12567	14363	15403	3255	3636	7776	18457	2000	29193	10898	7079	965	1852	9781	20556	13062	5401	6269	32588	37730	17977	9030	23430	17597	14668	9813	8344	15106	13302	15991	17509	18458	14153	32898	14599	18313	9717	15784	24565	9848	4436	0	0	0	13814	9168	0	19963	13687	13391	12299	4010	0	3166	493	2902	23484	0	530	21974	8977	1658	2039	2667	4805	7937	18120	9290	27518	23191	15957	13060	14016	14268	12517	0	8614	8689	11465	7221	917	1213	14096	693	2302	10493	6371	6654	35673	32993	5649	39256	12425	30080	0	14861	11702	1800	670	0	16795	8167	17084	0	16076	1832	0	11421	2314	Lipid	0.16666667	1.4444444	0.11111111
10	C18 H26 O3 N2	319.20163	319.20215	0.22982283	319.2017	10464	8233	7809	6439	4377	2323	6632	13231	2217	21591	8583	4192	1774	2259	8799	14553	11409	2827	6048	19820	19244	5076	7375	15364	10868	14798	6231	5049	9130	8667	7860	8013	12714	9261	19508	11283	16487	6621	9633	15224	3576	4670	0	0	0	5260	8664	0	10123	7710	8676	7161	4453	0	2047	965	1871	17348	0	0	11997	4870	1188	1236	2419	2975	5157	12547	0	19801	15749	7841	8715	5734	10451	8929	0	5778	5635	6318	5913	1109	0	8412	1265	1440	10174	5157	4654	24950	19037	0	25929	6808	14614	0	9475	7588	1502	0	0	11445	3732	9173	0	14445	1317	0	9142	0	Lipid	0.16666667	1.4444444	0.11111111
24	C16 H30 O6	319.21152	319.21188	0.029925538	319.21152	0	0	0	0	0	0	0	0	0	0	0	0	0	1727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5835	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3787	0	0	1666	0	0	0	0	1019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	70432	0	0	4565	2099	0	0	0	0	0	0	0	0	0	0	0	0	7409	0	0	0	0	0	Lipid	0.375	1.875	0.0
28	C20 H30 O3	319.22678	319.2272	0.19665517	319.22684	55965	47457	50328	47356	53421	26530	94153	68585	43661	28648	49371	33212	42626	44932	43253	74294	57205	36679	61501	40121	42309	49498	45323	54205	77393	61827	77157	98913	65763	79869	51090	73667	60104	46315	41216	94197	50281	57407	57893	32669	40132	42698	11804	8288	13025	39476	32634	8384	52846	63147	53116	44802	50770	17241	91621	55476	35969	91203	50651	35411	77516	33329	32437	43662	33984	56193	75237	61929	48112	36975	40325	28234	39651	77601	49020	49551	11863	41664	61365	112283	32719	43443	57390	49504	71247	38874	148686	32380	37082	125544	84195	92628	74646	67022	44084	8253	57236	57322	56457	80908	100577	85787	34281	59232	52912	63185	116449	7785	63490	27640	Lipid	0.15	1.5	0.0
18	C20 H30 O3	319.22678	319.2272	0.20435824	319.22684	36028	30368	30402	26696	12942	9017	49690	43227	9512	4561	7919	20611	9598	16777	27506	62218	86406	5445	16626	0	3676	26971	22587	44786	43122	5382	53733	13234	18257	31599	24850	32415	24011	16198	3260	35239	20945	23837	85282	2670	12816	16354	1116	490	0	10896	18862	581	23265	35534	23158	31933	12112	683	15926	14348	13759	60693	13127	27008	49275	3700	6789	9453	17726	8554	18498	96734	6079	7068	9429	11794	13300	26295	79195	30240	270	15623	52034	23909	35356	15975	31639	15345	25902	22346	73696	11198	12252	189869	35860	26262	75330	14275	17165	617	26384	28448	13006	32315	28396	30978	16839	12590	7765	44968	19132	435	51216	4788	Lipid	0.15	1.5	0.0
22	C20 H30 O3	319.22678	319.22717	0.16013217	319.22684	268204	267769	246976	260001	181010	117916	611188	350182	129717	128562	163851	222422	108170	234786	232038	524103	663456	135937	177575	156262	154746	286573	216836	335678	402710	281261	647503	189949	252248	247839	177258	327377	226898	265596	138452	343147	207508	245884	657893	126197	231135	142386	12163	0	2398	163202	244977	3302	219078	320714	275113	245915	170601	4005	151144	165008	150331	494896	136355	271984	425298	100989	153131	129617	180280	183271	212891	675494	172046	198961	248910	143491	198927	250381	675724	262295	2047	159259	362990	367605	258711	170025	408183	341885	216887	189115	579529	170651	183039	1409903	470120	367284	534185	229810	265452	3337	251100	281163	171884	236731	247987	346239	184402	213637	149661	342611	186490	3870	487928	118982	Lipid	0.15	1.5	0.0
16	C20 H30 O3	319.22678	319.22717	0.21774653	319.22684	3499	5966	8249	4408	4581	0	11986	11076	0	0	1672	3589	0	3771	6892	20988	21856	0	2103	0	0	5053	4363	9074	12676	1683	11538	2874	3785	6708	2409	9870	3858	3435	2273	6787	1730	6325	31200	0	2467	1337	549	0	0	1963	2985	454	6523	4789	8804	6187	1440	333	3724	2145	3657	14980	3082	8323	10969	0	2911	1691	3962	3493	1385	19736	0	1676	0	4279	4824	6188	25060	5654	0	3557	15276	8053	9177	2693	7760	2172	3739	3460	20884	2814	3755	68480	6358	4970	0	3459	2937	0	7087	6182	2619	4882	10579	4223	2602	0	0	0	7366	354	18005	0	Lipid	0.15	1.5	0.0
20	C20 H30 O3	319.22678	319.2272	0.19429559	319.22684	118453	105932	107511	112581	53190	38991	222994	185753	40781	39378	46822	88335	43579	76661	107637	252343	294578	32259	57191	34427	47823	117699	112330	173223	170826	80322	239737	64130	87637	102567	74526	124896	97130	180278	45084	150817	87667	98540	269243	27147	74037	50686	4487	650	483	53909	83207	1734	80219	127798	112916	117149	59451	1498	48499	70770	55796	247223	46967	95682	199917	22837	44990	42247	63400	57371	72196	281915	53162	45273	80049	54920	91255	107297	339090	102240	698	72289	230457	135995	99655	51965	170008	131874	83361	75054	305794	61272	58918	798647	249541	140896	266980	68674	75275	2683	117293	121963	55993	100793	123668	127005	75612	78026	46691	144617	75644	1359	203773	30207	Lipid	0.15	1.5	0.0
24	C20 H30 O3	319.22678	319.22717	0.17239483	319.22684	561518	568097	535315	533541	443517	251182	1077331	851467	231880	285150	359935	427972	310373	498703	429106	1009906	1063851	271924	462126	369386	351711	507800	398516	674409	594469	627216	1030414	441479	693093	650124	428037	1662372	633220	613069	347806	2877315	565693	403182	1034237	322467	437347	390098	27677	5419	7974	336355	435624	7685	569340	775741	564391	545729	337086	24927	320357	327169	249007	885099	275390	439327	839848	201897	318738	235637	318220	399726	521410	957828	356474	420022	474061	307100	488729	653043	2190475	698560	8787	446480	559111	701830	475139	355495	595648	528279	372199	316024	919693	290769	455763	1776165	887712	727002	921206	440959	571948	12005	528261	611721	297909	442217	554511	884157	365276	517193	309948	629166	334377	6803	833746	252906	Lipid	0.15	1.5	0.0
22	C21 H34 O2	319.26315	319.26352	0.28505686	319.26324	0	0	1384	1413	0	0	25192	0	0	0	0	0	0	0	1406	0	5724	0	0	0	0	0	0	0	0	2984	25404	0	0	0	0	0	0	1209	0	1459	0	0	4690	0	0	1126	0	0	0	0	0	0	0	1571	0	0	0	0	0	0	1264	0	0	1208	1905	0	1964	0	3657	0	1611	4444	0	0	0	0	0	0	2993	0	0	0	0	5960	0	0	6744	9957	0	1444	2754	0	992	8972	3880	0	0	0	0	0	1730	0	0	0	0	0	1113	1132	0	0	0	0	0	0	Lipid	0.0952381	1.6190476	0.0
26	C21 H34 O2	319.26315	319.26358	0.21405193	319.2632	38268	32298	38132	29883	10764	12093	562089	18938	11139	7735	54818	11110	8180	178504	19927	22830	40193	0	11729	11905	8287	17692	14877	11909	29155	74038	587474	94739	25080	22818	12451	21586	14621	14300	11952	28886	15317	25668	42286	13094	38923	24319	4644	0	0	17735	22296	0	24796	23096	36143	33074	15257	0	9985	27922	26750	25274	20259	42503	64408	20754	49525	9110	161234	24203	59857	44846	40135	17605	26403	8332	12920	35465	27536	24231	0	14050	27492	76992	12808	51456	79139	88697	9440	18941	74286	14830	18707	58028	67260	44788	49244	26129	18425	0	33654	37290	30102	10569	14463	23975	11959	49024	41958	14336	11286	0	30790	12455	Lipid	0.0952381	1.6190476	0.0
28	C21 H34 O2	319.26315	319.26358	0.21185407	319.2632	13995	11393	11874	12355	7943	5457	89306	15536	8118	7056	23031	9744	7211	21659	12993	12416	15389	6606	9974	12430	7973	10977	13446	9075	22886	25330	66214	42625	16520	14156	9853	13182	8601	10465	8424	17575	8464	14638	14819	8278	10938	13336	7470	7721	12551	10997	10340	5687	11566	18137	13243	13024	11109	13360	10882	10537	11030	14229	13254	15225	19926	10659	12423	7096	22617	13097	20130	13964	20671	8937	10683	5597	8516	16690	12927	12190	14026	8817	15740	37644	10799	20573	18099	19309	9580	13060	34428	9879	11381	18815	42725	32988	12866	17973	10591	6964	11509	13257	10848	9070	15899	13531	12429	19643	23977	9741	9288	6024	13562	5726	Lipid	0.0952381	1.6190476	0.0
24	C21 H34 O2	319.26315	319.26355	0.20135818	319.2632	14969	17647	13910	14076	6230	6081	320609	6794	2666	2016	12472	6074	3317	77862	8427	12665	30399	1157	5214	4906	3676	4594	3659	3090	9787	37245	331578	33652	7526	7319	4397	12307	5770	4647	1625	13170	4348	8982	33524	1898	19972	8203	1819	0	0	3794	13044	0	4596	10176	16638	17648	5224	0	0	9647	13035	12147	3912	22433	30458	6108	30872	1139	64014	8475	29566	27379	14159	6740	13728	1335	2422	13441	20406	10990	0	4214	9210	38194	4849	23217	60523	72481	4460	7178	34638	5084	7734	47377	30160	19713	14060	7742	7265	0	15189	15456	14459	2316	3596	9303	3518	17315	5009	6996	1227	0	12655	6749	Lipid	0.0952381	1.6190476	0.0
10	C20 H34 O1 N2	319.27438	319.27487	0.10740609	319.2744	0	0	0	0	951	1686	0	0	0	0	0	0	0	0	0	5645	0	0	0	0	0	0	887	8081	939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1383	0	0	0	0	0	0	0	0	0	0	2287	0	0	0	821	1737	0	0	0	0	0	0	1156	1840	4812	1690	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	934	2537	0	1801	0	0	31391	0	0	0	0	0	1409	0	0	0	0	0	0	3101	0	0	1583	0	Lipid	0.05	1.7	0.1
12	C20 H34 O1 N2	319.27438	319.27496	0.21851641	319.27448	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4009	0	0	0	0	0	0	0	3887	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11232	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31950	0	0	17715	0	0	0	0	0	0	0	0	0	0	0	0	1703	0	0	0	0	Lipid	0.05	1.7	0.1
26	C18 H38 O4	319.28427	319.28464	0.16417627	319.28433	2280	0	0	0	16715	12633	0	0	0	0	3365	0	0	7170	0	0	0	0	6794	0	0	0	0	0	0	5897	0	3387	0	0	0	0	0	0	0	0	0	0	0	0	0	8688	0	0	0	0	0	0	0	0	0	0	4923	0	0	0	0	0	6215	0	0	0	0	0	0	6251	21260	0	0	2552	0	0	0	0	0	0	0	0	0	0	0	0	3627	3857	0	0	0	9764	11766	0	23821	7399	0	2318	0	0	0	0	0	0	0	0	0	0	17402	0	0	0	5591	0	Lipid	0.22222222	2.1111112	0.0
26	C22 H38 O1	319.29953	319.29953	0.18020703	319.2996	0	0	0	0	0	0	18413	0	0	0	2428	0	0	7950	0	0	0	0	0	0	0	0	0	0	0	0	20204	3206	0	0	0	0	0	0	0	0	0	0	0	0	2083	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2093	0	0	1885	0	0	0	0	0	0	0	0	0	0	0	2709	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.045454547	1.7272727	0.0
16	C14 H9 O8 N1	320.0401	320.0406	0.3796014	320.04022	0	3544	2305	0	7665	4247	0	0	5223	0	0	2242	13513	2326	0	2249	0	8328	10470	0	0	2600	2010	0	0	0	0	0	0	0	1180	0	2344	0	0	0	3880	2097	0	0	0	4770	0	0	305	0	0	507	0	0	0	3098	2750	0	4871	3856	2426	1605	0	0	0	0	20624	10308	3477	7043	7625	1856	0	0	0	0	0	0	0	0	0	2008	3683	0	2218	0	0	0	5865	2803	3160	4934	7503	0	0	0	0	2496	0	0	2443	0	3376	6136	5568	2574	2721	0	0	0	3272	0	0	21050	Phytochemical	0.5714286	0.64285713	0.071428575
18	C14 H9 O8 N1	320.0401	320.0405	0.29081875	320.0402	6348	3991	2452	2139	7778	5658	1156	0	7173	0	0	2819	11868	4528	3910	0	0	16813	19196	0	0	5750	4762	1860	0	0	1126	0	0	0	0	0	6647	0	0	0	10582	1498	4607	0	0	6762	330	0	0	0	0	705	0	0	3069	3424	8024	0	8437	3734	3494	1246	0	0	0	0	17944	9207	4232	12966	5445	3604	0	0	0	0	0	0	2433	0	0	0	5818	0	3803	0	0	0	7256	3057	4062	7509	11429	9660	0	0	10177	0	0	501	2597	1863	4657	6719	5427	4458	2093	0	0	7685	3335	0	1686	27434	Phytochemical	0.5714286	0.64285713	0.071428575
20	C15 H13 O7 N1	320.07648	320.0769	0.27609402	320.07657	13969	13955	12994	11061	20939	10808	6155	5546	21114	29461	12246	4015	34738	7845	5095	7781	5734	21247	21009	5674	15843	36573	9773	6376	7255	1629	5454	8233	4359	3464	4213	2300	7701	2018	16408	1548	10836	7203	6689	15124	31358	8922	1248	623	903	8896	21627	1362	5875	3540	10979	9500	16674	845	19381	18796	12272	11216	5623	5368	9889	13585	28167	16795	7486	27562	7946	6990	3482	5137	8609	5170	3410	0	4787	2304	1095	5482	11282	33050	10518	6893	3785	9008	17833	11338	13081	13405	11690	12565	8230	13731	12576	40201	37874	973	9710	7882	7177	18660	17946	9996	3999	6828	6337	12914	11052	1125	7222	31391	Phytochemical	0.46666667	0.8666667	0.06666667
22	C15 H13 O7 N1	320.07648	320.07693	0.2745298	320.07657	3950	2527	5534	6342	10354	4182	2623	1425	9903	6780	5557	1819	9145	0	2252	3697	3014	12676	8993	1732	5372	13055	4889	3526	2567	0	1545	2321	0	1581	2000	0	3426	1975	7759	0	4210	3877	1514	4395	11100	4397	0	0	992	3063	5973	0	2190	0	4893	4999	4679	1417	11383	5574	4930	4170	2295	2362	3263	3848	11461	10392	4037	10184	3913	3380	1454	2521	2801	1676	1319	0	2601	0	758	2256	6974	12687	4613	0	2188	5764	13196	4766	7897	5275	4183	5533	4213	6064	3660	20694	16236	0	5321	5199	3917	6420	7354	1859	3716	4080	2098	4960	2957	0	1478	18729	Phytochemical	0.46666667	0.8666667	0.06666667
14	C14 H13 O6 N3	320.0877	320.08826	0.39229938	320.08783	6074	2731	4229	4475	2797	2725	3852	4322	5328	5222	3563	3227	5552	1595	3826	2964	8644	7933	6514	2097	4132	9131	2720	5342	3461	0	1851	0	1997	2797	4632	0	6824	3653	6659	4034	4594	3741	10603	7216	9588	4104	0	0	0	3532	5599	0	1752	2340	4707	6053	5451	0	4820	2770	4097	5216	0	0	0	6739	6160	4981	4366	5261	3442	10508	0	3169	3750	2079	2670	0	4973	2382	0	2530	8789	0	7606	3030	3208	2151	5796	3259	9496	2540	6607	30663	7544	8374	12953	9757	7947	0	5267	4206	1833	2268	2678	5743	3008	2287	0	5427	2583	0	5546	8124	Peptide	0.42857143	0.9285714	0.21428572
14	C12 H17 O9 N1	320.0976	320.09818	0.35046425	320.09772	2396	4023	0	2316	11483	8825	0	0	18270	0	2200	3834	25300	5842	1632	0	4263	14726	13096	0	2186	0	2806	0	1487	0	0	0	0	1712	0	0	4235	0	0	2061	0	2449	2342	0	0	7064	0	0	295	0	0	0	0	0	3711	0	7116	0	25125	18972	3997	2497	0	0	0	0	19886	20832	5900	10604	6271	0	0	0	0	1976	0	2444	1754	2301	346	2691	1308	0	1386	0	0	0	16684	0	1366	5421	9984	0	0	0	0	0	0	0	0	0	9799	8279	10233	3498	3451	0	0	4357	10222	356	0	27244	Unclassified	0.75	1.4166666	0.083333336
8	C7 H18 O4 N7 S1 Na1	320.11115	320.11108	-0.26288414	320.11105	952	1302	1406	1414	0	0	1502	0	0	0	0	0	1214	0	0	1692	0	963	962	2582	1780	1797	0	0	0	0	2002	0	914	866	1163	1557	949	1018	1488	0	1272	1245	886	0	2062	0	0	0	0	1951	2557	0	0	1255	996	1137	1236	0	989	949	889	0	3033	0	0	2518	863	1416	0	1080	1986	1574	0	0	0	0	0	1088	45056	723	0	973	0	0	980	1687	1849	1514	0	0	1624	1454	762	0	0	0	1404	0	0	0	1653	0	1325	844	0	0	691	1664	0	1040	2054	0	1413	1242	Organosulfur	0.5714286	2.5714285	1.0
6	C7 H18 O4 N7 S1 Na1	320.11115	320.11142	-0.38377377	320.11102	0	0	0	0	0	659	0	0	572	0	0	568	0	0	747	0	0	0	0	0	0	0	0	0	0	0	536	0	0	921	678	1407	1470	0	708	0	0	623	0	0	0	0	0	0	0	0	0	0	0	0	0	1080	643	0	957	419	0	0	1966	1173	0	1725	0	0	0	0	827	0	0	0	0	0	0	0	34083	0	0	471	0	0	508	587	990	0	0	0	0	0	544	0	0	0	0	0	1563	0	1323	0	0	0	0	0	580	0	0	0	676	0	0	932	Organosulfur	0.5714286	2.5714285	1.0
4	C18 H18 O3 N1 Na1	320.1257	320.12677	0.7621709	320.12595	0	0	0	0	0	4848	0	0	0	0	0	46994	0	0	11324	1554	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14504	0	0	0	8576	0	0	0	0	0	0	0	1907	0	0	0	0	0	0	0	971	0	0	0	0	0	0	0	0	5464	0	0	0	0	0	0	2139	0	0	0	33462	0	0	0	0	0	0	0	615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18247	0	0	0	0	0	0	0	Phytochemical	0.16666667	1.0	0.055555556
2	C13 H21 O8 N1	320.134	320.13464	0.2788113	320.1341	20410	22702	19936	21218	30818	43024	16212	29746	26612	7158	7258	20814	44728	18436	19492	7054	22430	39150	29632	6986	11506	15106	17588	19234	6288	0	4066	7193	34972	19064	31164	32042	38396	48910	9206	26972	31872	14146	19024	6268	4764	26606	640	0	0	8810	12561	0	25156	17896	18660	23332	37525	0	34398	16270	12820	25804	11620	5582	10436	3114	39488	29004	10570	43670	32084	21274	0	3404	0	56192	43250	30612	3056	26678	0	18444	11558	0	9292	4992	4532	0	21422	14866	12107	37216	29052	18083	21841	22548	28768	3566	0	0	21542	26828	16468	17174	22808	20302	20536	10520	5438	27924	22602	0	9422	64238	A-Sugar	0.61538464	1.6153846	0.07692308
16	C13 H21 O8 N1	320.134	320.13446	0.26772523	320.13406	13407	12596	14903	10964	38602	32815	7288	13160	37079	9777	13365	13403	68271	21854	17893	12529	16306	69057	54679	14298	21010	7865	19596	5659	8318	1368	7578	14265	21960	21609	17623	21637	31486	16351	7532	24166	22506	9890	14448	6077	14347	28544	1569	736	1037	4257	4929	936	16011	16822	21698	19705	32304	857	64770	42793	20206	16281	11706	10394	16989	9081	43649	44987	16315	38957	32666	11723	4518	2059	4888	12964	19211	18359	20600	16285	812	16766	9766	15545	5386	4836	5785	5098	44571	20001	11543	18658	24649	0	9453	16189	0	9825	8819	803	22139	23852	23898	33035	47300	30335	15369	13396	0	0	42475	965	5409	55960	A-Sugar	0.61538464	1.6153846	0.07692308
10	C13 H21 O8 N1	320.134	320.13452	0.21324828	320.13406	71677	70747	73197	66860	127624	98277	40840	75811	176355	65900	56725	55289	298763	60694	63675	63300	75540	268308	223248	84465	93950	41617	76797	61017	36590	97646	30203	39002	88083	70689	133284	66817	94599	62170	177613	81215	97528	45562	59302	33942	46933	110609	4502	520	666	42256	47784	0	69014	57458	73660	77601	114674	956	334223	214093	62867	62695	51384	49455	67024	40718	164596	206416	98910	164349	86457	57206	33939	22151	31002	50405	60090	70425	66552	54514	0	47889	55042	35494	38533	24529	28598	76773	188179	91233	53190	77727	83997	34522	26545	59744	226103	47380	52783	1294	165727	106750	114591	169297	218159	122855	49426	73343	23116	56219	202494	707	27827	231724	A-Sugar	0.61538464	1.6153846	0.07692308
12	C13 H21 O8 N1	320.134	320.1345	0.22656696	320.13406	48670	42500	57766	43318	152495	121508	39904	71353	225527	44780	50213	46746	287736	67341	70428	29980	76032	297247	268409	82398	118312	32808	74692	26307	27627	13672	11186	43109	103496	45453	56587	42481	120251	63994	88827	67516	72333	57565	55097	41819	44984	104746	3137	506	781	33029	25247	499	44212	42551	46637	46824	145292	1010	411585	188861	79992	49090	58563	53484	27173	60141	217769	237485	66255	181444	109480	55734	43010	19592	38698	40517	53962	56932	32271	40229	0	61164	47386	55470	39778	29251	26843	20070	178921	98080	63394	56826	97856	32325	31013	58654	38836	61743	21597	899	49377	80820	148322	148671	184136	84387	49854	37068	0	40421	217221	729	24695	271763	A-Sugar	0.61538464	1.6153846	0.07692308
14	C13 H21 O8 N1	320.134	320.1345	0.2676316	320.13406	44283	38882	32696	31045	88792	88208	25251	37451	140334	25582	20032	20656	235585	56089	47695	34252	50544	205720	147317	46885	65574	24519	41562	22492	23192	6714	16446	21012	57400	50284	23431	24444	61374	28211	55308	52062	45127	30564	44484	16097	28821	72042	3128	536	954	14674	22961	723	21960	38169	35601	31943	80710	778	252240	126166	35334	27040	33161	20727	34944	28522	126999	159380	43083	106594	68264	23801	18558	14066	14479	24255	34646	45528	45880	31647	582	30554	28657	23491	19463	14995	12405	10212	111997	63669	28248	38052	53572	18624	25533	36269	32247	29459	29168	1045	35844	59526	88875	92746	126963	87396	24791	40572	0	18106	122551	859	12126	165352	A-Sugar	0.61538464	1.6153846	0.07692308
0	C12 H21 O7 N3	320.14523	320.1459	0.24737872	320.1453	2904	2582	3272	3160	6294	30192	0	5835	2443	0	0	1646	10465	4828	1227	0	1203	10985	6420	0	1890	2890	2348	2732	1757	0	0	3850	13580	0	8042	5117	22507	7797	1680	6024	7413	1240	2011	0	0	5874	0	0	0	0	0	0	5477	2733	3004	2350	6296	0	2715	944	0	6405	0	0	1602	0	6081	3339	1176	6189	9964	0	0	0	0	7881	7098	3142	0	5264	0	1749	0	3897	1299	0	0	0	1207	0	0	8021	8161	0	32019	6907	4669	1801	0	0	3301	3501	812	1186	0	2513	0	0	0	7898	935	0	0	14118	Peptide	0.5833333	1.75	0.25
10	C16 H21 O4 N3	320.1605	320.161	0.19256376	320.16055	44465	37866	38447	32952	11981	12307	29420	55384	10414	35611	20784	34223	7801	8319	32933	54388	45164	18889	26983	43719	39183	62394	31680	60261	33334	14785	31930	16574	44091	38230	39021	49183	45319	40067	41951	41249	48869	28411	55087	51432	49954	23347	0	0	0	40917	45831	0	47970	39511	41967	40738	18385	0	12863	4672	13319	53619	30947	39527	51422	32757	11726	11007	15308	13823	20648	55225	15765	24231	21825	44126	40017	40727	40195	42192	0	24506	40469	37744	32309	25173	34727	25079	8986	12237	38955	24066	22819	74724	50817	51734	94219	37275	51545	0	41434	39805	10975	6067	5722	45648	26799	54524	0	51060	11809	0	45591	17671	Peptide	0.25	1.3125	0.1875
8	C16 H21 O4 N3	320.1605	320.16104	0.18091314	320.16055	58030	65031	50417	57180	15574	15582	41754	62848	13924	47660	41348	40185	9252	9483	36753	64918	56818	21430	29592	60193	52890	70957	39116	74731	42354	20245	35530	67715	57033	48071	46971	60473	57850	47378	57565	54650	58530	34528	74368	60293	71833	22225	0	0	0	52867	52835	0	60671	53143	55982	53025	19910	0	14375	6211	15204	60110	30988	44785	60996	40479	9706	14952	16301	19175	20305	83142	18791	33913	38967	59314	51543	49985	44459	54289	0	36427	43763	274646	38972	31323	43182	40852	8637	12297	43184	26225	24238	93585	593999	261714	96493	93414	63492	0	57981	51254	11381	8087	7322	56141	34614	68550	20514	53418	11093	0	46997	12570	Peptide	0.25	1.3125	0.1875
2	C13 H25 O4 N3 S1	320.16385	320.16412	-0.06582246	320.16382	0	0	0	0	0	0	0	509	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9881	0	0	0	0	596	0	0	0	782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51880	0	0	0	0	0	0	385	0	0	0	12419	6544	0	2925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.9230769	0.23076923
4	C13 H25 O4 N3 S1	320.16385	320.16425	-0.00726446	320.16385	0	0	0	0	0	1823	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3657	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	620	0	0	0	0	0	33359	0	0	0	0	0	0	0	0	0	0	35163	13083	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.9230769	0.23076923
16	C14 H25 O7 N1	320.17038	320.17084	0.1875498	320.17044	21597	14689	23358	21814	29795	22811	24148	24336	40379	5193	6718	13950	57391	24668	28623	25363	31425	54072	46318	11679	7181	7538	17186	13751	24417	2709	13909	16715	35973	24375	23304	26725	38819	25019	10802	34567	25966	18326	35615	3840	16672	21368	2117	446	642	6794	25200	0	20759	15703	20197	25989	36431	875	58735	34450	13934	24053	8867	11245	16916	4032	26026	29435	21299	39964	29303	25942	2927	2452	16774	22963	27823	37629	19876	21154	356	13773	12007	9854	10452	6711	23913	14728	31342	29821	12279	23881	26077	0	26135	25047	0	4861	6007	537	21866	25319	24561	24788	37367	42603	14733	13531	5133	0	31137	358	11434	32300	Lipid	0.5	1.7857143	0.071428575
8	C14 H25 O7 N1	320.17038	320.17093	0.19716501	320.17044	16456	18087	13071	19129	14619	14874	21401	23733	20843	4648	4140	15147	27978	13698	23846	34842	31682	27465	27581	9282	9423	11461	21656	26799	16242	6124	14678	5300	27482	22878	16406	23693	22682	14118	9273	22938	19746	18692	22393	4955	8065	18346	2962	0	0	13763	9263	0	22626	19841	17261	16200	13051	482	38102	25186	11800	21527	13268	10254	30433	3786	22404	22349	13961	21703	12647	20517	0	0	3518	15142	16928	23862	19500	17661	0	12956	20688	6530	19226	10343	32264	18109	25111	15919	20047	9401	13549	21576	0	14390	30114	6525	9281	877	20536	24240	13983	20792	30283	28420	13839	16412	0	17375	23433	0	15379	21695	Lipid	0.5	1.7857143	0.071428575
18	C14 H25 O7 N1	320.17038	320.1708	0.20472935	320.17044	8077	9275	10441	8338	18254	11227	14102	10840	25679	4071	4487	1767	31708	13542	13596	6401	3533	27634	23089	5034	0	2013	5898	5094	5190	0	6140	3170	12299	10146	6776	11400	15647	8254	3763	10704	14247	6992	4671	2174	0	12400	917	0	595	0	1790	0	9506	4833	10153	6941	16259	704	45965	21326	6362	8563	8325	1130	8038	2372	17233	19644	7060	22492	13420	2463	0	0	0	8044	7068	9883	3495	7399	457	4049	7233	2793	2460	0	9328	3366	10474	8509	5305	8941	10487	0	46320	26273	5139	1434	3164	410	12616	6963	11376	8625	14138	13967	4205	3757	2910	4654	16182	372	4105	19985	Lipid	0.5	1.7857143	0.071428575
14	C14 H25 O7 N1	320.17038	320.17087	0.268758	320.17047	15382	14916	24215	20160	30259	31141	24096	32912	34528	0	9318	10762	59165	24185	34321	32335	49743	54662	48840	11065	11676	9000	32880	24107	33266	6236	17606	15992	44464	31260	17795	26118	47789	18958	7092	32085	44254	26078	51350	2075	0	27777	0	0	364	6572	5836	1635	24959	16634	21458	19684	33523	527	63142	39149	15891	23199	14029	8886	28680	4791	33714	32168	32429	40065	32081	39395	0	3663	4694	15801	21447	32986	26430	19090	286	19980	26318	0	16659	8271	19933	10500	41744	36917	36012	13588	25675	22676	19393	17126	39471	6325	5243	694	17558	33606	24035	42124	53211	50201	15076	17434	0	21385	44329	2471	16616	38530	Lipid	0.5	1.7857143	0.071428575
12	C14 H25 O7 N1	320.17038	320.17087	0.21761928	320.17044	13329	11073	18464	13182	28405	31708	37726	45451	34164	6219	4622	21060	46915	20203	34703	16974	35403	49762	53720	12633	10711	9030	31308	21133	34385	7254	6387	15697	58969	20438	28620	18566	42618	23473	16743	33763	27886	30796	30121	6119	0	24716	2659	0	0	12488	6212	0	19854	16319	13111	9879	30341	629	65029	38347	24551	29484	15052	13704	18968	5914	32587	27766	25332	34321	34058	25643	0	7461	2636	18393	23066	27050	14086	13494	0	29965	25325	0	22119	13173	45281	24459	42595	33658	33788	12966	26777	26230	12086	21124	31060	6856	1797	511	12065	27107	29970	35291	50574	25931	24283	0	0	23444	47407	0	21876	38909	Lipid	0.5	1.7857143	0.071428575
0	C13 H25 O6 N3	320.1816	320.1823	0.17711169	320.18167	5284	4763	3350	3883	3799	34255	0	6624	4081	1152	1636	2013	9052	5688	1958	0	1896	14882	6894	0	2332	3139	2985	4512	3280	0	0	17833	15724	0	8088	4645	20600	9015	2289	4122	11116	1825	1979	0	0	3980	0	0	0	1906	0	0	6594	2366	4450	3853	6314	0	3882	711	0	5100	550	0	2778	0	9441	3210	3234	8902	11427	1575	0	0	0	6840	7277	5177	0	4312	0	3578	1787	68067	1485	0	0	0	1519	2134	1579	4582	4789	3266	27204	13556	6067	13511	0	0	3139	3199	1815	1263	2049	2436	1703	0	0	7974	2225	0	0	14273	Peptide	0.46153846	1.9230769	0.23076923
2	C13 H25 O6 N3	320.1816	320.1823	0.39722523	320.18173	8291	8127	7802	7650	1834	24581	644	2027	1485	1144	6847	788	4058	1497	1337	1279	1217	3910	1584	0	0	1393	833	3815	1283	0	0	58389	2873	895	2244	1400	2616	2272	0	1585	2772	1619	2023	0	0	0	0	0	0	786	0	0	1245	860	7092	7091	1341	0	1663	1856	718	3463	0	0	1217	0	2183	888	0	3658	920	1388	0	354	0	3097	1870	1457	362	904	0	582	1497	583412	625	0	0	0	1378	967	1430	1331	2614	2446	284960	150437	3111	69845	0	0	9395	5986	1678	1130	1668	2055	1412	233	0	2780	1463	0	1253	2888	Peptide	0.46153846	1.9230769	0.23076923
4	C18 H25 O4 N1	320.18564	320.18625	0.18753152	320.1857	164912	171705	168361	163939	20896	44114	145035	302890	19237	191858	78667	150579	22130	13639	161319	241019	242935	43531	66884	238344	236156	176993	125222	297019	138979	102629	151416	77053	269315	217170	239939	287268	268310	235184	229311	295937	270021	139561	258988	180793	137553	58649	924	480	384	141147	134404	0	321492	279917	167985	134883	44200	459	30401	9426	30886	215129	7959	19036	220508	95175	22061	29422	26202	38626	57730	293838	73074	141285	149116	235694	252622	308823	280353	229770	0	185864	130918	96868	125182	32955	56095	132090	17465	31258	106166	62290	73427	195570	177641	83693	277266	116691	203778	750	154336	179869	15728	11410	14393	242122	152454	263148	63997	187441	13630	368	139492	23450	Lipid	0.22222222	1.3888888	0.055555556
26	C18 H25 O4 N1	320.18564	320.18597	0.23114538	320.1857	4520	2964	4808	4085	6043	3122	0	0	2728	3571	7696	0	0	3579	0	0	6466	0	5145	9343	13543	1778	0	5044	0	8172	2151	13428	0	0	2814	4923	2484	5001	6004	0	4760	0	6179	4770	3216	8061	0	0	0	0	0	0	2230	0	3553	2624	3325	0	0	0	3412	5095	2742	0	4293	4832	3033	0	2332	5385	6664	4370	9086	7306	10327	4316	0	0	0	3270	0	0	2461	5080	0	2555	2859	4556	0	0	40926	4100	9267	11207	5044	3298	6387	3907	0	0	4033	5082	6910	2558	0	0	0	0	0	3546	7468	0	0	0	Lipid	0.22222222	1.3888888	0.055555556
2	C18 H25 O4 N1	320.18564	320.18628	0.16995628	320.1857	112686	115884	105075	103956	7304	17975	131919	229525	7251	93650	48551	118510	6423	5858	100122	241049	171052	16266	28407	123195	125266	91723	77116	181947	79177	45535	143436	40011	201081	194391	163275	219016	162012	185518	108495	245703	168744	88434	199941	100095	85750	34635	524	0	0	64009	74116	0	233425	187194	103374	110667	16512	258	9486	3437	15047	195524	11223	20404	208025	47062	5893	10879	16083	15075	38031	205992	39121	62312	66631	167077	217252	273747	249699	197864	0	121110	85251	51814	82503	25492	43749	63510	6693	16960	59305	28758	48805	147105	84856	59358	158936	51128	124619	446	106110	122826	7271	3223	4829	170721	96307	187371	31953	111377	4432	0	73408	7905	Lipid	0.22222222	1.3888888	0.055555556
6	C18 H25 O4 N1	320.18564	320.1862	0.12145194	320.18567	193361	205577	182430	184851	42123	52329	148814	299382	31691	328613	138204	150840	31261	25664	159309	259518	192177	58074	100479	384906	369247	181268	125035	275578	149623	189229	157108	130240	263483	256559	251398	326047	315778	286623	389369	294518	323132	141209	268546	213586	161654	68403	762	395	0	173251	178195	292	358785	258409	192033	190423	57179	357	44759	16264	33825	251600	5751	27597	241698	115808	36514	34927	33970	57329	80311	306056	132237	332863	287185	294190	288511	283286	236297	259163	226	145397	110782	96632	110074	33929	39114	163757	26362	42865	114230	76109	90278	219762	210848	103952	269083	131516	252016	399	195693	175779	20213	19790	25472	291886	143883	256414	84606	207248	23388	0	133759	46685	Lipid	0.22222222	1.3888888	0.055555556
22	C17 H25 O3 N3	320.19687	320.1969	-0.37703493	320.19675	0	0	0	1558	0	0	0	0	0	3220	7971	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13027	0	1081	1162	0	0	0	2269	0	1747	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1913	1888	0	0	0	0	0	0	0	0	0	0	32429	0	0	0	0	0	0	1358	2014	0	0	0	0	0	0	0	0	0	1172	0	0	0	0	18038	0	0	0	0	0	Peptide	0.1764706	1.4705882	0.1764706
6	C17 H25 O3 N3	320.19687	320.1974	0.08324795	320.1969	5995	6329	7610	6796	1029	1716	7234	9505	931	9307	3312	4733	661	988	5326	10172	7832	2302	2579	13015	12108	8652	5327	11147	8469	3924	5189	3473	7589	6889	6314	9099	8969	7124	9702	9297	10338	4446	8598	8412	4634	2974	0	0	0	5652	6795	0	11509	7039	5899	6535	3452	0	1289	0	1605	8711	0	0	9221	3948	0	0	1109	1518	3564	8252	2223	6459	5861	9286	6452	7669	6982	6522	0	4543	4584	5478	4377	1353	1363	5895	0	940	4549	4017	4217	17872	14085	3949	21849	5280	10159	0	4023	4961	0	0	0	11807	3209	9496	0	8776	666	0	8366	0	Peptide	0.1764706	1.4705882	0.1764706
24	C22 H25 O1 N1	320.2009	320.20117	0.073074736	320.20093	3824	3576	3726	1692	0	0	1633	0	0	0	0	0	0	0	1594	0	93393	0	0	0	0	0	0	0	9244	0	2978	0	0	0	0	0	0	0	0	0	0	2620	87504	0	0	0	0	0	0	0	0	0	0	0	3554	3381	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	117855	0	0	0	0	0	0	6087	0	0	0	60507	19404	27668	3002	0	0	0	0	77166	0	0	257453	0	0	9831	3070	0	0	2630	4252	0	0	0	6351	1158	0	0	1331	0	0	51441	0	Phytochemical	0.045454547	1.1363636	0.045454547
12	C15 H29 O6 N1	320.20676	320.20728	0.26050827	320.20685	14056	6174	15957	11749	0	10043	34028	42285	0	1616	0	16625	0	0	14508	8980	150048	2947	3626	1279	1619	0	6960	4255	3299	0	5342	0	55613	9387	15321	32638	87590	29498	0	37138	72154	13050	208553	0	0	19736	0	0	0	0	0	0	41125	14099	14066	7556	9367	0	0	0	1785	24494	0	0	0	0	0	0	13820	3690	16631	172192	0	0	0	16963	37571	31342	73087	27469	0	13957	3379	0	2769	0	3873	1238	975	1634	4116	6705	10890	4283	0	0	0	0	0	0	9179	12040	0	0	1024	21450	11849	0	0	10048	0	0	5695	1122	Lipid	0.4	1.9333333	0.06666667
18	C15 H29 O6 N1	320.20676	320.20724	0.28278816	320.20685	0	0	0	0	0	0	27320	2426	0	0	0	1299	0	0	0	0	7883	0	0	0	0	0	0	0	0	0	5172	3383	0	0	0	0	0	0	0	2210	0	0	3727	0	0	0	317	0	0	0	0	0	0	0	0	0	0	1220	0	0	0	0	0	0	0	0	0	0	13106	0	0	2459	1472	0	0	0	0	2287	2968	0	0	0	0	3951	0	0	9051	1711	0	0	0	0	0	0	0	2925	0	0	0	0	0	0	0	0	0	5032	0	0	0	0	0	0	0	0	Lipid	0.4	1.9333333	0.06666667
16	C15 H29 O6 N1	320.20676	320.20712	0.13582389	320.20682	9556	9093	8277	8341	2766	0	79340	10947	0	1643	5194	9911	0	1254	3311	11226	126248	0	0	2158	0	0	1541	0	0	0	29073	4909	22100	19263	11751	20033	63628	15484	2686	22880	54889	4104	144645	0	0	4390	275	0	0	0	0	0	19327	10128	6827	10041	2997	266	0	0	0	9970	0	0	11028	0	0	0	25126	2901	2949	96605	3956	0	0	8429	15157	18145	52379	24091	0	9306	0	6253	0	0	9308	4245	0	1400	1840	5173	2791	0	0	0	0	0	0	0	8062	8663	0	0	0	64216	0	0	0	0	0	0	0	0	Lipid	0.4	1.9333333	0.06666667
16	C13 H26 O1 N7 Na1	320.21692	320.2183	1.1215107	320.2173	0	0	0	0	0	0	0	0	0	5066	8016	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	115151	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28345	17252	0	0	0	0	0	Unclassified	0.07692308	2.0	0.53846157
20	C19 H29 O3 N1	320.22202	320.22247	0.25585583	320.2221	8028	10396	11544	11984	5412	1867	13698	6899	1827	7884	12741	16224	5574	5260	9172	21782	37420	7767	6679	9590	14012	12442	4227	11828	16688	25875	15487	11053	8006	12211	8557	6625	11153	11328	9391	11380	11838	9820	28354	8596	27115	6962	0	0	0	5678	16491	0	16593	11676	12416	9709	6947	435	3349	3415	5246	21865	5417	15173	16242	8154	3457	2392	4615	5391	6516	31305	15524	13521	25099	9353	10514	13200	25838	10219	0	10856	11428	20460	6367	3951	9731	0	3076	7036	29014	12088	7566	78529	19654	22436	17187	12636	14727	0	12369	14678	3575	6037	5809	14572	12346	13008	3456	12549	2927	0	21415	3344	Lipid	0.15789473	1.5263158	0.05263158
10	C19 H29 O3 N1	320.22202	320.22256	0.23936859	320.2221	33486	29768	28914	30104	6035	7161	41335	41475	3391	29868	23786	21125	2633	2872	15283	44483	17015	5781	11046	46384	44693	15424	18002	34689	16711	27784	67439	20257	31547	47004	34137	48828	49685	36676	38184	31998	44266	20298	26326	27938	3884	9218	0	0	0	12383	13758	0	52103	36285	29490	30242	7105	0	4112	1217	3911	50405	0	0	42222	5631	0	1987	5673	5900	12528	45798	19362	39082	34706	40897	38246	41466	45676	80073	0	27447	18771	12210	13391	0	0	19675	1268	2794	22542	9678	13939	282238	48540	0	84116	14240	36209	0	32595	27506	3137	1677	1673	41899	29938	15716	0	40035	2008	0	23138	1631	Lipid	0.15789473	1.5263158	0.05263158
18	C19 H29 O3 N1	320.22202	320.22247	0.26917294	320.2221	4907	8902	3030	6709	2070	0	9878	6678	1232	6304	5212	4315	5494	1308	2877	14805	13805	6409	5703	3233	3456	7210	2103	4124	4904	9248	9287	5680	0	4459	7972	5646	10462	5149	4064	6001	5502	2318	13664	4379	10306	2467	0	0	0	1458	4270	0	10049	8636	7054	5607	3661	233	0	2272	1262	14672	0	4989	8952	2038	1828	1678	1385	3073	2671	15687	6610	4220	10348	9775	0	6961	7174	5388	0	2883	5986	5067	3324	0	1831	3407	1729	1676	16358	3039	2136	33904	12723	9741	12623	4232	9044	0	4384	3388	0	4957	7005	8523	2697	2550	1615	4841	2642	0	11214	0	Lipid	0.15789473	1.5263158	0.05263158
14	C19 H29 O3 N1	320.22202	320.2225	0.2955131	320.2221	53866	49978	50687	45950	2503	1802	1622146	396176	2434	19072	21765	291898	0	1678	155443	316616	5441	1735	1966	11646	11172	0	4835	3186	6975	10593	2686387	26701	7058	24547	41646	9526	8502	9149	12803	12956	8402	88634	5284	6029	0	2523	0	0	0	3646	4215	0	16665	279448	52273	54325	1298	0	0	0	3196	143539	0	0	381323	1950	0	0	6917	1255	1131	7131	0	12910	11705	306917	14064	37433	6884	16839	0	841370	2659	0	3575	0	0	6596	0	0	6364	3618	5417	33329	16420	0	17344	4017	6437	0	58908	52173	1145	0	0	8073	513055	0	0	5980	0	0	9118	0	Lipid	0.15789473	1.5263158	0.05263158
12	C19 H29 O3 N1	320.22202	320.22253	0.22482209	320.2221	11646	14255	9880	14029	3362	5351	11359	18161	3043	16162	8477	9312	0	4087	9718	26553	12786	2006	2869	25946	25963	6899	8360	17991	12300	16867	21664	10370	12385	13814	17870	15303	21301	13895	23725	12610	16529	8616	10374	16130	0	3327	0	0	0	4062	11236	0	18800	15320	12776	9642	4596	0	0	1017	2086	28228	0	0	16470	2226	0	0	1894	3886	5303	18519	0	26831	20107	18849	14599	13260	15086	17085	0	11142	7615	0	6928	0	0	13592	2932	810	14126	3865	3856	63545	32228	0	37764	13730	21562	0	10969	13147	1747	1150	0	17469	10783	7581	0	17851	1830	0	10524	0	Lipid	0.15789473	1.5263158	0.05263158
8	C19 H29 O3 N1	320.22202	320.2226	0.2108872	320.22208	70428	72657	60676	72872	6050	15952	58638	162773	4341	54579	35743	75305	2024	3571	65917	167543	81026	10753	24692	93504	75756	31689	69477	140428	102838	22105	78379	37220	101837	130820	119333	129100	108804	95503	81994	109320	124967	65685	85298	52702	5724	29100	0	0	0	42141	31728	0	142846	138700	64893	64832	22272	0	5435	595	14405	148276	0	0	170055	16103	3602	6790	24312	11505	31605	116626	16178	38063	29230	124891	95703	241532	84647	102561	0	87045	90564	51765	63634	1358	541	42420	1388	8005	81119	27905	37056	187665	106577	0	194753	33941	69722	0	71362	62346	3930	0	0	101836	65177	52351	18199	117538	4614	0	92108	3165	Lipid	0.15789473	1.5263158	0.05263158
4	C19 H29 O3 N1	320.22202	320.22266	0.210969	320.22208	25140	28712	28456	26118	695	3509	28518	64848	0	19308	10441	32017	0	584	28782	57457	42063	2824	6027	28403	28086	20726	25136	59158	29615	3657	32512	9863	46102	41269	45487	55289	45110	45114	27832	55222	42115	25869	43325	28788	13676	8839	0	0	0	20609	17912	0	56466	58656	27176	23986	4905	0	612	0	3950	46532	0	0	44921	14770	0	1010	4696	3201	7030	60600	2794	6285	5746	46621	48052	63318	68551	48903	0	31493	28283	22236	26929	1722	4336	21774	492	4038	23797	10964	12098	58288	45662	8417	67378	18542	41677	0	24480	29547	673	0	0	44576	25093	42365	8869	42846	646	0	27706	358	Lipid	0.15789473	1.5263158	0.05263158
16	C19 H29 O3 N1	320.22202	320.22244	0.23950534	320.2221	3925	7172	0	5327	1482	0	14141	8677	0	6606	2387	4481	1811	971	0	13642	4513	0	0	5569	0	2092	1221	3027	2000	3949	21437	3594	2008	5452	8120	0	7131	3344	3748	0	5477	2413	6018	5877	0	1555	0	0	0	1917	3079	0	6178	10241	3935	3172	2230	0	0	0	1082	8868	0	2680	0	1215	0	1195	0	1873	1267	8719	4234	8063	4922	9502	3868	4070	4445	3719	0	4231	2433	4830	0	0	0	2275	0	0	6773	1772	1494	24769	10506	0	0	2481	5435	0	1505	0	0	0	1561	7395	4696	1951	0	0	0	0	3856	0	Lipid	0.15789473	1.5263158	0.05263158
6	C19 H29 O3 N1	320.22202	320.2226	0.18940574	320.22208	47175	52536	43927	43986	3830	31583	38753	110318	1729	54131	20598	47180	561	1191	51303	123089	52436	7359	16906	61890	54706	33002	52001	105241	69081	16208	43512	20310	71484	70403	77108	85675	74186	63187	48959	74159	80705	49670	62195	36567	8964	22058	0	0	0	29658	21277	0	97075	89979	48041	54326	11778	0	2935	453	9398	107858	0	0	110979	17391	1086	3021	9660	6800	24525	87663	11235	19911	21295	88276	66903	81806	58636	65821	0	50480	51613	26857	38762	1842	1673	25958	1709	7328	65054	18401	23789	201721	63216	6714	149265	26189	55233	0	41217	45292	2729	0	0	76468	47845	50040	9251	88475	3564	0	63361	661	Lipid	0.15789473	1.5263158	0.05263158
8	C18 H29 O2 N3	320.23325	320.23373	0.09553511	320.23328	1033	0	0	0	0	0	1004	3476	0	0	0	1081	0	0	1044	1632	0	0	0	0	0	0	0	0	0	0	815	0	2090	43671	27200	1523	1225	0	0	3273	0	1151	0	0	0	712	0	0	0	0	0	0	1524	27407	0	0	0	0	0	0	0	1606	0	0	0	0	0	0	0	0	639	0	0	0	0	49192	34300	8862	0	10244	0	1251	0	0	0	0	0	0	0	0	1047	658	866	5546	0	0	4751	0	0	0	1133	2133	0	0	0	1006	0	0	0	0	0	0	0	0	Unclassified	0.11111111	1.6111112	0.16666667
6	C16 H33 O5 N1	320.24316	320.24374	0.15440388	320.2432	0	0	553	0	526	8625	0	0	0	7308	4207	0	0	0	0	0	760	0	0	0	0	0	0	0	0	0	0	26212	0	0	0	0	0	0	2385	0	0	0	0	0	0	39494	0	0	0	0	0	0	0	0	0	0	16759	0	0	0	21999	0	0	0	0	0	0	0	400	745	61813	0	0	0	0	0	0	0	0	0	0	0	0	35369	0	0	0	0	0	2474	0	0	0	0	15044	0	0	3138	8196	0	0	1726	535	0	0	0	0	0	0	0	972	0	0	0	Lipid	0.3125	2.0625	0.0625
8	C16 H33 O5 N1	320.24316	320.2437	0.20298006	320.24323	2801	3631	2761	1839	13441	18682	0	0	726	0	0	0	0	1949	0	0	0	0	0	0	0	0	0	0	0	3303	0	0	0	0	0	0	0	0	0	0	0	0	875	0	0	98301	0	0	0	0	0	0	0	0	2458	0	52392	0	0	0	62882	0	0	0	0	0	0	0	0	69787	130904	1718	4816	7071	9711	0	0	0	1455	0	0	0	0	0	0	0	0	0	0	0	0	0	1734	0	0	0	0	0	0	0	1227	1754	3168	0	0	0	0	0	0	0	2194	0	0	0	Lipid	0.3125	2.0625	0.0625
4	C16 H33 O5 N1	320.24316	320.24365	0.18984997	320.24323	744	886	823	1237	0	0	0	0	0	8418	7791	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32418	0	0	0	0	0	0	3105	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	869	702	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	113317	0	0	0	1109	0	0	0	0	0	0	17368	0	0	9571	7936	0	1203	718	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3125	2.0625	0.0625
24	C20 H33 O2 N1	320.2584	320.25873	0.19659734	320.25848	1367	0	1815	1075	0	0	3039	1741	0	0	0	0	0	0	0	6320	0	82030	17899	0	0	0	0	1110	2253	0	1722	0	0	2945	5407	1879	2339	0	0	1189	7755	0	1300	0	0	1519	0	0	0	0	1179	0	1752	2857	1774	1738	0	0	0	0	0	5046	0	4102	4215	0	0	0	0	0	2278	1796	0	0	0	0	0	0	1444	2768	0	0	0	0	0	0	0	0	0	0	4079	0	1056	29518	3812	1278	2271	0	0	0	1364	1848	0	0	0	0	0	0	0	1592	0	0	2775	0	Lipid	0.1	1.65	0.05
14	C20 H33 O2 N1	320.2584	320.25885	0.30903655	320.2585	10099	15015	9665	12401	2663	2675	8602	14225	2158	0	1464	6613	0	0	9853	71451	16108	0	0	0	0	0	10391	14930	74257	1409	26185	0	27346	10331	21795	26837	28906	25830	0	21791	29650	8971	7104	1352	0	8533	0	0	0	1432	0	0	18573	5599	11855	13095	4835	0	0	0	2462	63106	0	0	47281	0	0	1192	4269	0	5765	44776	0	2801	0	9050	10624	7111	21641	12944	0	9082	10228	0	21836	0	0	923	0	0	18120	20313	15974	278912	20995	0	100718	3740	5175	0	10725	10814	2944	0	0	26349	6935	0	0	70121	1282	0	37803	0	Lipid	0.1	1.65	0.05
10	C20 H33 O2 N1	320.2584	320.25888	0.317592	320.2585	2737	2265	2065	1282	0	0	1155	4921	0	970	0	1857	0	0	1070	7177	0	0	0	0	0	0	1880	2348	7445	0	1578	0	1494	4945	4363	2802	0	1518	0	3563	2907	0	0	0	0	0	0	0	0	0	0	0	2401	5594	1681	2361	0	0	0	0	0	2743	0	0	0	0	0	0	0	0	0	1956	0	0	0	2884	2260	2125	3474	1630	0	1445	1719	0	2245	0	0	0	0	0	4221	0	1333	36185	2830	0	8954	0	2797	0	0	3160	0	0	0	1944	0	0	0	5578	0	0	3696	0	Lipid	0.1	1.65	0.05
8	C20 H33 O2 N1	320.2584	320.25888	0.2864776	320.25848	1319	0	0	0	0	0	1189	1498	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2424	1331	0	922	0	1205	1417	1317	0	0	817	0	1079	1326	722	1148	0	0	0	0	0	0	0	0	0	1139	1343	1224	0	0	0	0	0	0	1535	0	0	0	0	0	0	0	0	0	1128	0	0	0	973	0	1197	0	0	0	0	0	0	0	0	0	0	0	0	1638	0	0	20162	0	0	7399	0	1057	0	0	0	0	0	0	0	654	0	0	2117	0	0	1454	0	Lipid	0.1	1.65	0.05
12	C20 H33 O2 N1	320.2584	320.25882	0.20563944	320.25848	16916	18301	19002	15005	2436	8654	39619	7623	0	0	0	11809	0	1031	35086	71258	42648	1245	0	0	1259	0	27930	10797	322803	0	59913	0	39741	7163	7691	19085	85774	25797	0	21808	60554	30838	19330	2342	0	4249	0	0	0	0	0	0	22167	6413	15761	21096	5031	0	0	0	2421	54848	0	0	36526	0	0	0	13379	0	3614	83093	0	3398	0	6736	9939	7071	25259	9877	0	10645	60272	0	87774	0	0	1417	0	9240	42799	53152	16277	368918	8471	0	292815	5060	6163	0	18129	17563	0	0	0	84473	8041	0	0	86770	0	0	138834	0	Lipid	0.1	1.65	0.05
16	C20 H33 O2 N1	320.2584	320.25885	0.29157925	320.25848	2788	2807	0	0	0	0	3067	3781	0	0	0	1592	0	0	0	5673	0	0	0	0	0	0	2215	4718	9855	0	7523	0	2829	2839	24180	3509	2762	2777	0	4210	2041	1437	0	0	0	2720	0	0	0	0	0	0	8519	2067	0	2061	0	0	0	0	0	17966	0	0	11317	0	0	0	989	0	3150	2703	0	0	0	1640	3669	5043	4282	3233	0	2710	2825	0	1155	0	0	0	0	0	0	1277	1210	30409	24025	0	0	2711	9747	0	1560	0	0	0	0	3933	0	0	0	0	0	0	4416	0	Lipid	0.1	1.65	0.05
12	C14 H5 O6 N2 Na1	321.0118	321.0121	-0.47820005	321.01166	0	0	0	0	0	0	3025	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25144	0	0	0	0	0	4205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25173	0	0	0	0	0	0	0	0	0	0	5602	0	1653	2182	1702	4217	4140	0	5915	0	0	9350	0	0	0	3484	0	0	0	0	0	2319	1109	0	0	0	0	0	1364	0	2284	0	Unclassified	0.42857143	0.35714287	0.14285715
26	C14 H8 O9	321.0241	321.02448	0.3148744	321.0242	3269	3708	2956	2479	7080	9619	2098	0	8044	0	0	7846	11330	7168	9834	18756	6525	20171	12225	0	0	0	8995	12638	7650	0	3891	0	7512	0	5281	0	1860	4793	0	0	4248	4555	3337	0	0	0	0	0	0	0	0	0	2987	0	2603	2337	5860	0	6746	0	4330	3301	0	0	8338	0	17012	10320	4917	7210	2974	0	0	0	0	0	0	0	9273	0	0	5883	12375	0	12062	0	0	0	12911	8009	7456	4465	5396	3472	0	0	9386	0	0	0	3520	0	4412	6189	7487	0	3548	0	0	3743	0	0	2512	15279	Phytochemical	0.64285713	0.5714286	0.0
16	C14 H8 O9	321.0241	321.0247	0.468437	321.02426	0	0	0	1545	10370	7302	0	0	8182	0	0	0	16358	8570	1465	0	0	12090	11665	0	0	0	3420	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3006	452	0	0	0	0	561	0	0	0	3172	6250	0	3375	6245	4175	0	0	0	0	0	20343	11851	3714	15074	2736	0	0	0	0	0	0	0	0	0	0	0	2446	0	0	0	0	0	10934	1884	2182	4877	3549	0	0	0	0	0	0	0	0	2734	5104	11268	9785	0	0	0	0	0	6740	0	0	14409	Phytochemical	0.64285713	0.5714286	0.0
14	C14 H8 O9	321.0241	321.02475	0.440659	321.02426	0	0	0	0	7283	5023	0	0	7498	0	0	0	11995	5939	0	0	1717	7899	6744	0	0	0	1050	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2717	0	0	0	0	0	377	0	0	0	0	3988	0	3738	5955	3102	0	0	0	0	0	22392	8088	4655	14058	2094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9293	2449	2223	3245	4451	0	0	0	0	0	0	0	0	0	2509	11335	5399	0	0	0	0	0	4482	0	0	12930	Phytochemical	0.64285713	0.5714286	0.0
22	C15 H12 O8	321.0605	321.06094	0.341058	321.0606	15487	10971	10086	12529	46745	19259	4295	4246	40861	8588	4782	4744	57060	23662	7461	2609	0	49910	32529	0	1894	18305	11773	4926	6196	0	4424	2234	2023	1344	3572	0	5533	1178	5292	0	8079	9045	4150	3160	4858	6438	2762	0	1968	2309	3648	3822	1559	2072	16132	11675	25574	1544	43532	37026	17039	4272	2242	1694	5472	2158	65093	37385	11408	50545	12216	3859	2556	0	2307	1963	0	0	2733	1861	2603	4763	26112	15561	20408	5166	1632	1866	53413	29528	12391	8424	11172	2838	4631	4520	5475	12499	17207	0	7960	12152	23656	57016	62898	5682	2573	1672	3780	6584	25027	0	4981	67362	Phytochemical	0.53333336	0.8	0.0
24	C15 H12 O8	321.0605	321.06094	0.29580435	321.06058	7246	8557	7522	8200	23361	13003	0	0	22868	1682	0	1725	45244	14648	6610	3057	2164	34697	28370	1446	0	5513	8137	2814	6236	0	2286	0	1728	0	0	0	3369	0	4878	0	2873	4267	1658	2040	1435	4382	0	0	0	1461	1994	3151	1824	0	5652	6611	18224	0	27313	22895	9640	2887	1499	1231	0	1984	40787	26651	5897	28758	6836	1892	1293	0	0	1157	0	0	1700	0	0	1820	14827	5382	12024	2182	857	1594	34556	14895	7025	7036	8213	0	2773	1993	3782	6899	8590	0	8435	5034	13961	25077	25918	2159	3297	0	2716	2371	16027	0	5289	49772	Phytochemical	0.53333336	0.8	0.0
26	C15 H12 O8	321.0605	321.0609	0.37420413	321.0606	6329	6456	3786	4816	19390	9781	1878	0	16183	3010	2127	2951	29325	14020	0	5899	0	23936	21852	0	0	4130	6322	0	0	0	0	0	0	0	0	0	1849	0	3612	0	0	3115	0	0	0	0	0	0	0	0	0	0	0	0	5016	4843	10554	0	22323	14107	4244	1893	0	0	0	0	35071	14928	5041	19382	3878	2339	0	0	0	0	0	0	0	0	0	0	10848	0	8368	0	0	0	26413	11201	4524	4954	4225	2684	2938	1801	0	3740	0	0	5996	0	8932	20105	12913	0	2757	0	0	2397	7704	0	2969	30070	Phytochemical	0.53333336	0.8	0.0
16	C14 H12 O7 N2	321.07172	321.07224	0.338759	321.07184	10543	12746	7793	7526	7626	7651	2735	4819	10134	8445	6771	4150	16200	6111	3082	8987	6325	16880	12976	5946	10113	23550	9416	6989	4340	1522	4981	1744	1954	2219	1503	0	6125	4448	15620	2771	10368	6190	12931	8640	28552	6660	436	0	0	5544	9929	0	6671	0	9628	6329	7936	0	10540	8630	8575	9789	4411	7109	8453	11343	23421	11695	3907	14628	8337	8014	3330	2546	5802	4043	2946	0	6368	1899	0	3221	9238	22921	9013	5433	4111	5137	11131	6333	9283	12955	8454	0	7923	9865	0	23745	25272	0	7974	8233	6153	11630	13855	10722	4356	4250	0	0	8538	0	7521	25332	Unclassified	0.5	0.85714287	0.14285715
16	C15 H16 O4 N2 S1	321.09036	321.09094	0.5685079	321.09055	5640	3810	0	6390	4276	7110	4664	3238	0	4824	4190	2664	0	2878	0	7642	8732	0	4122	0	4140	11128	0	7536	2864	4162	2668	4126	4228	4428	2846	0	4114	1545	0	3338	5752	0	13854	12090	23126	0	0	0	0	5142	5854	0	4536	0	3108	6736	4350	0	0	0	0	7112	0	7836	0	5364	0	0	2096	0	5876	14086	6014	7704	10088	3628	0	0	8514	0	0	0	7688	9046	0	5048	5104	5716	0	0	12092	5992	3952	0	0	10650	0	7974	13796	0	4304	4638	0	0	0	6618	0	5464	0	0	0	0	4480	4078	Peptide	0.26666668	1.0666667	0.13333334
14	C7 H17 O5 N6 S1 Na1	321.09515	321.0951	-0.28490365	321.09506	2987	0	0	2702	4913	7277	0	0	3938	0	0	0	4285	4551	0	0	0	4648	2313	0	2444	0	4214	0	1467	7151	2592	0	0	0	1509	0	4061	1420	2856	2391	2555	2762	3161	0	0	3303	0	404	0	2512	0	519	0	0	3039	0	4820	696	4538	6566	2453	0	0	0	0	7337	4505	5662	4958	5532	7436	1346	0	0	2726	0	2641	1564	24803	3107	339	3119	4609	0	2872	3817	2079	2689	3879	4310	3625	0	4390	0	3352	3575	0	5110	1982	860	0	0	4714	5219	4079	0	2021	3611	0	0	9576	0	0	4753	Organosulfur	0.71428573	2.4285715	0.85714287
6	C7 H17 O5 N6 S1 Na1	321.09515	321.09564	-0.24404521	321.0951	1558	2271	1175	2450	1901	956	0	0	1799	2158	2697	1006	1321	1135	0	3568	0	2001	1936	0	0	2129	961	0	735	1340	1683	0	0	991	862	0	0	0	692	978	0	579	1108	1631	2768	1155	0	0	0	0	1777	0	0	1649	2339	1119	1998	0	1770	1980	1847	0	4200	1524	0	2501	2674	2197	1166	1090	3222	0	0	3094	0	968	983	727	73946	1199	0	899	0	0	937	1012	1280	0	1434	0	0	1807	1576	1391	0	0	1642	1908	0	0	2577	1575	1553	3103	1140	847	1357	1743	0	0	2742	0	608	3019	Organosulfur	0.71428573	2.4285715	0.85714287
2	C12 H17 O3 N4 S1 Na1	321.09918	321.09943	-0.39957356	321.09906	0	1196	1067	1193	0	190062	0	550	0	0	0	0	0	0	0	0	0	582	589	0	0	0	0	0	0	0	0	0	0	0	677	0	2162	0	0	0	2674	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	539	0	0	993	0	0	0	0	1970	0	0	694	0	0	0	0	0	0	0	0	0	0	0	805	0	0	0	0	0	0	0	0	0	0	0	0	0	0	826	0	0	0	0	0	0	0	0	1263	0	0	0	0	0	0	0	0	Peptide	0.25	1.4166666	0.33333334
14	C20 H16 O4	321.11212	321.11258	0.14810136	321.11218	176025	175597	163128	174748	168002	160176	152590	169172	126688	164984	103652	142533	153779	120269	147008	215215	287484	170619	185728	130627	159000	258449	163423	234682	149603	72330	158396	76484	125165	123233	134367	154080	238819	145803	210314	127625	209559	138139	293005	180035	226348	149047	2831	1053	911	128570	127778	1105	176078	129807	175140	164115	146139	1770	132703	90866	107983	235494	127930	123076	261253	143654	152771	136709	99691	169237	148174	282055	90666	139900	160376	139921	120634	94743	154113	118212	644	119964	223565	166555	170022	93448	97532	98569	120990	97135	279921	195653	172789	367889	152974	167963	337286	138757	169041	1710	166351	143154	99550	115972	114938	228885	124928	127024	61120	241186	91189	1021	171689	169555	Phytochemical	0.2	0.8	0.0
24	C20 H16 O4	321.11212	321.11258	0.3095711	321.11224	3394	8677	3644	5680	8950	3365	0	3739	5134	6794	15837	2690	2186	3605	3558	4941	3463	8044	7950	6629	17665	10932	3215	4948	3397	24442	2176	13385	3698	5219	3102	2303	3162	2233	11368	2649	3138	1503	3831	12094	19870	3030	0	0	0	7514	14121	0	3319	6579	5418	4317	4062	0	6524	4352	5741	4158	4604	3458	4483	5237	4974	3373	4886	8424	9767	3784	28613	21528	35045	2576	1672	1520	1517	3174	0	2813	6233	8509	3189	7158	4931	12538	7580	4169	8844	6467	4830	5830	4149	3013	6492	12651	9515	0	5468	5747	3163	4164	4252	3226	1803	6091	6603	4490	5943	0	3952	2745	Phytochemical	0.2	0.8	0.0
18	C20 H16 O4	321.11212	321.1126	0.35689268	321.11224	10069	6490	9696	8126	7834	3279	4093	6592	5509	13853	12339	3785	5561	6591	5398	7533	5471	5916	8447	14029	6905	10901	4995	7506	1952	29013	5047	11167	3526	4808	3364	6248	7604	5111	16000	3351	5205	6917	7073	8830	15385	5954	328	0	0	6131	7489	339	5495	3015	10404	9068	6875	0	3133	4113	4893	5856	2623	5005	8307	5810	6912	6899	4639	6728	6868	6083	25401	31336	56158	3711	2333	3509	3320	9114	0	2194	7127	7076	7982	7038	6576	6529	5806	4240	5014	7884	5563	10976	6838	2254	11359	5216	8624	0	8758	4741	5476	5867	4026	2954	4355	6066	3765	7274	3090	0	5888	7626	Phytochemical	0.2	0.8	0.0
0	C14 H16 O5 N4	321.11935	321.12003	0.13959855	321.1194	0	1808	0	0	1824	31916	0	0	2150	0	0	0	0	0	0	0	921	0	2020	0	1092	0	1293	0	0	0	0	0	1833	0	0	0	1822	0	0	0	1543	777	1248	0	0	1964	0	0	0	0	0	0	0	0	0	0	1024	0	1325	626	0	1606	454	0	0	0	0	1842	2239	1702	0	1893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	998	0	1289	1791	1704	1315	0	1227	3933	0	0	0	0	0	0	758	1109	0	0	0	0	2328	673	0	1221	3340	Peptide	0.35714287	1.1428572	0.2857143
8	C12 H20 O8 N2	321.12924	321.1299	0.53232116	321.12943	4990	6930	0	4580	0	851	0	0	1036	0	0	0	0	0	0	0	0	2387	888	0	0	2396	1152	1135	760	0	920	0	3954	1059	0	2426	0	1231	1330	823	0	0	1158	0	0	0	0	0	0	0	0	0	45009	0	2584	6232	0	0	1960	0	845	0	0	0	0	0	0	0	0	0	0	1712	0	0	0	0	0	0	0	0	0	682	0	0	63406	0	0	0	0	0	0	0	0	1293	0	0	2055	0	0	0	2017	4912	0	0	11089	1730	0	0	0	1032	0	0	0	807	A-Sugar	0.6666667	1.6666666	0.16666667
0	C16 H20 O5 N2	321.1445	321.14517	0.07390487	321.14453	10278	14432	11123	10796	7244	13175	7914	17917	8640	10658	5678	10226	8004	4699	8654	4158	15070	14297	12589	11725	23994	16839	11567	15672	5942	5885	2986	6553	26521	11190	12559	20102	33141	21008	20290	15540	36440	7985	19288	10111	13787	20768	0	743	555	8193	5908	463	23149	13079	10868	10964	13485	394	13200	8194	6219	18086	7295	10302	9967	6167	11422	10453	9666	11926	16493	19188	6734	8866	8408	14788	28107	13313	3110	23406	539	8392	13035	5534	8830	5006	7063	4861	7813	8385	11845	14956	17778	11484	9051	11352	22138	10449	4038	817	12779	13557	5827	6105	7087	29235	7277	11882	5689	18688	10058	612	8797	13820	Phytochemical	0.3125	1.25	0.125
10	C16 H20 O5 N2	321.1445	321.145	0.14189821	321.14453	591106	495682	489664	468685	256020	250716	497810	671941	249181	483313	272149	414841	260195	154226	447132	672989	653777	377965	437562	583215	577078	637124	439368	776425	494860	296760	525132	261466	581470	570204	537491	658964	810690	557767	557941	563989	778796	433492	838945	588455	580149	282506	5448	1199	1280	536474	425910	1013	678445	540296	541119	531553	293667	1831	321144	159729	175932	711146	391809	434280	689335	319829	219084	245695	166663	324221	310491	831878	294333	507605	469760	571955	514316	523614	538599	529744	606	393392	446276	314460	442800	338790	406591	311999	218178	226204	455633	348317	346662	682365	984890	645112	837461	358091	545434	3457	515200	521626	171980	201358	206179	720800	401448	567536	258967	644107	209393	1306	507974	352568	Phytochemical	0.3125	1.25	0.125
8	C16 H20 O5 N2	321.1445	321.14505	0.16139123	321.14456	492907	548569	427627	523800	236861	250794	440284	576193	253415	498960	258395	385546	239997	111034	431977	629729	523100	335738	489508	621417	630196	666973	408459	651528	376281	266074	476618	244880	597555	537733	533900	728732	772568	626508	672046	587547	786192	416198	661437	575059	644018	340282	3062	689	543	504494	486835	875	723590	510111	493160	511857	290418	1023	300131	142268	235080	554127	309942	421284	567317	333528	237168	251193	188459	305221	346710	661938	272689	451745	479736	593766	599923	476423	413450	604375	427	417922	422113	277852	360933	308340	382880	361213	178333	207596	410442	371370	419184	676306	464269	510013	800382	349748	491137	1731	502367	515558	170320	179841	184769	757044	400949	594030	238648	560563	194217	467	405094	318590	Phytochemical	0.3125	1.25	0.125
18	C16 H20 O5 N2	321.1445	321.14493	0.21125881	321.14456	46201	40729	40325	43388	37194	37736	37189	51526	19253	30755	22690	28049	27871	24778	41729	62903	41416	35768	43354	23514	30638	51625	39415	66753	39099	13311	33214	36120	46934	42574	49461	56514	80361	55254	34997	44656	78535	32846	51756	36451	38764	29836	1018	878	991	31601	28849	916	57715	39721	50197	34081	42449	1202	31298	15322	21270	65587	26430	32336	58165	26957	23816	21939	19242	40529	35801	53240	15606	22702	25750	46519	35510	32211	37653	38743	881	35182	42713	33604	30912	23360	26702	18097	14735	25654	48731	46663	39752	64394	59064	66276	101265	26836	40085	1231	40545	45147	17304	18593	14682	72129	29633	39775	14021	64903	22859	901	42651	37425	Phytochemical	0.3125	1.25	0.125
14	C16 H20 O5 N2	321.1445	321.14496	0.111205176	321.14453	306617	305896	282334	303010	163184	170970	281948	369285	128167	216334	132743	227528	149388	90396	269687	389253	409304	232959	240897	242146	234342	397989	262925	438104	305486	102390	262517	146885	343932	332809	311641	388132	435281	369287	249904	367806	452843	234180	472827	265529	268180	173215	0	1153	1165	249771	209958	1205	423279	305843	282454	289973	187618	1611	150280	86651	132830	434158	276974	240554	403544	162194	125264	130261	103593	188169	192448	467767	78740	190668	188392	348444	326484	307033	334678	308287	675	253987	251502	174138	256009	178509	265609	161475	96391	122221	287119	253774	266683	494418	458214	370003	566528	188844	258703	2404	288510	268136	101503	110123	99364	399850	227026	347706	123152	412541	109767	768	308311	183805	Phytochemical	0.3125	1.25	0.125
18	C21 H20 O3	321.14853	321.149	0.30345345	321.14862	11729	11994	13170	9326	8603	6585	11006	13975	4638	7641	15017	11241	6567	7809	9802	21430	14083	6944	11611	12886	13810	13069	10909	15711	9580	24485	9075	13663	10355	11847	10385	12521	15376	8096	11471	12126	12872	9418	18325	8101	16411	7060	581	0	0	10767	13714	0	14383	11115	13384	16598	7556	377	4698	5005	8089	14748	4558	13020	10095	6047	7833	5182	5605	5021	9064	20712	25197	25563	41852	10810	9248	12461	15214	18723	0	8372	19313	13939	13118	10698	9999	11956	7509	7024	15707	9794	10186	22209	11933	10547	20336	7627	10725	787	11657	7345	7667	7117	6759	13992	7384	11605	5890	11367	7865	385	15675	4505	Phytochemical	0.14285715	0.95238096	0.0
18	C15 H25 O2 N2 S1 Na1	321.1607	321.16135	0.23228644	321.1608	9918	8204	8178	6106	7921	6651	4382	8724	3508	8706	10387	7180	11697	4867	6112	6804	8434	10145	11745	13241	18970	7597	4130	7598	3383	17395	5030	6999	4763	8460	6401	5783	8444	5692	10246	7038	6379	4881	5886	11968	8600	5450	0	0	0	2900	5598	0	5342	5733	7938	10487	3570	0	11213	7929	3305	9186	5357	5618	5393	5876	6610	5415	2340	3763	8598	6057	14038	24398	28499	6770	8134	5938	10195	8283	0	4864	9299	2683	3472	3301	5359	6341	5827	5272	5832	6288	6990	4776	4322	5085	5664	2093	9039	0	7196	5593	3617	4543	5911	10005	6530	6199	3005	6588	4328	0	8375	4758	Peptide	0.13333334	1.6666666	0.13333334
16	C15 H25 O2 N2 S1 Na1	321.1607	321.1612	0.13896225	321.16077	4193	6393	5906	6840	5785	4362	5910	5670	3375	6958	5636	6405	4742	2978	6055	9481	6782	5413	6832	9844	13370	5706	5944	5446	5864	18441	4258	3424	6921	4861	7478	5935	4161	4652	6799	4289	5199	4416	9467	6515	5942	3194	0	0	0	3766	10623	0	6345	5686	5485	4970	3316	0	3439	6890	4346	7671	6388	4938	0	5447	2952	4617	2050	5067	4523	9011	9538	20008	19675	3749	6283	6433	8369	6989	0	6341	4759	0	4708	4164	3909	6007	4772	6386	4821	5207	3959	0	5099	7241	0	3696	7429	0	8431	4785	3048	4611	4752	7012	3881	4879	0	0	3414	0	6279	3665	Peptide	0.13333334	1.6666666	0.13333334
2	C13 H24 O7 N2	321.16562	321.1663	0.24659592	321.1657	9194	9952	7195	7043	7824	0	2074	7441	5999	1314	0	3672	23936	3360	4801	3350	4430	15572	7772	1284	1914	3867	3647	6202	2380	0	0	0	8773	6752	7226	9383	11273	34444	2902	6973	15819	3001	4124	0	0	0	354	0	0	2218	0	0	9692	7560	9316	7337	6631	0	6595	3725	2418	8293	1064	0	5538	0	7177	5411	3401	21858	7297	6345	0	0	0	25978	17638	9037	1177	4525	0	3436	2839	0	2268	0	1032	0	4441	3808	2870	13796	7932	14921	0	8166	11363	0	0	0	8463	8353	3894	3277	4050	8683	3379	1376	486	8148	4724	0	3047	34806	Peptide	0.53846157	1.8461539	0.15384616
0	C13 H24 O7 N2	321.16562	321.1663	0.13970226	321.16568	9448	7975	8171	7796	8132	32295	0	18242	6168	3204	0	3962	30830	4767	3317	3756	0	87629	15551	2374	5370	9405	7984	15197	8939	0	0	4207	24062	7110	14880	12213	40689	38331	6582	14775	29956	2492	2787	0	0	12585	2032	0	0	5818	0	0	17580	6140	6764	7593	9516	0	6111	2031	0	15685	2354	0	10867	0	15872	8481	1734	28038	20414	1991	0	0	0	44997	31844	12342	0	12797	0	8218	2712	0	2068	0	0	0	1605	1730	2494	11238	12424	13068	11429	6792	18951	0	0	0	7450	7783	2309	1869	1772	8252	4535	2300	923	19539	2335	0	1797	48359	Peptide	0.53846157	1.8461539	0.15384616
10	C18 H24 O5	321.16965	321.17017	0.18005466	321.1697	157821	143988	257006	123791	70070	67257	150425	385174	81487	199924	80128	125208	65459	60196	126325	240622	196668	85009	112996	265404	244110	323326	130930	421382	132804	123889	184188	70827	161902	349456	154876	342892	337370	108742	233972	355302	301356	130922	238452	212278	259344	91041	18712	13211	15238	146473	146141	16886	339476	175742	295276	144684	76121	15041	108124	90821	72339	393102	139836	148627	217725	72812	77969	79943	63241	73925	77232	228640	108472	263810	277810	226436	125760	175084	256934	368738	12936	111956	184180	95859	162598	119751	152405	77010	108663	81604	172011	67647	82290	462514	126050	138397	406366	101827	271548	19169	136590	164195	73961	111502	128356	347236	124587	163826	97106	301010	86219	13762	149925	73176	Lipid	0.2777778	1.3333334	0.0
6	C18 H24 O5	321.16965	321.17023	0.1349649	321.1697	56350	47966	15438	42628	14321	16737	48588	55980	16537	33264	18502	39864	16026	15717	47168	22636	47344	18715	41160	42936	38120	56078	43682	58788	37038	31832	39992	19683	54136	25533	50744	50322	54338	37298	21014	63440	42726	47864	56864	21149	40782	40956	12302	7619	10480	25462	26437	9380	54466	24972	39184	48718	31696	8420	22702	16485	19639	54130	21433	22862	58568	13827	16174	10681	12618	13774	21138	66460	22749	30422	20794	44854	48804	49374	31732	55078	8948	16883	48390	12351	43976	27687	56350	23414	16969	14277	46330	27780	41008	59780	20296	36960	46320	32188	18132	10629	39004	42298	14211	16828	21531	32558	55342	26702	26658	40684	12424	8038	22344	13003	Lipid	0.2777778	1.3333334	0.0
12	C18 H24 O5	321.16965	321.17014	0.1400992	321.1697	963102	1214940	1019310	1033220	419056	334912	894480	928202	457552	612246	551680	618654	359886	296858	621714	1647028	1277448	461198	681182	1778800	1463184	955514	686290	1229108	674511	1556960	1280294	415410	894542	1094067	770990	1170202	901234	747375	597574	1910466	928703	682643	1390555	1200500	884578	551436	45102	28948	27932	713398	871222	32194	1242896	1069686	1039230	1095198	451394	25350	561440	462376	445652	1233776	632966	859090	1318248	402254	530054	422880	354330	435704	461198	1320142	675092	1594421	1836776	663088	752312	1020394	1662686	1161948	19250	617622	917054	473788	845152	614698	843025	492588	571730	457718	939249	430007	519258	1494576	881884	873748	1212350	457944	978336	37316	1071703	990802	477496	590981	688248	1185700	630336	1103504	496910	861904	517780	26440	805367	461756	Lipid	0.2777778	1.3333334	0.0
14	C18 H24 O5	321.16965	321.17014	0.15240774	321.1697	991224	987373	945127	975114	583702	495306	1038873	1065959	599764	668500	596977	811251	601401	444001	756894	1256786	1444229	725317	815815	1019536	1059021	928947	839496	1087653	783384	1191234	2220176	554346	946889	1060550	1732316	1153142	2248682	1558404	814729	1028435	1938384	772381	3042226	1513410	952272	683230	37560	14979	15071	696672	835394	18705	1139785	1895326	991955	877934	641646	15801	704543	605603	564503	1289304	639618	933724	1123958	464533	669947	627486	468774	647967	655264	3127972	925315	1167985	2735982	1516554	1665906	1900288	1267565	2124686	10564	720805	1100250	615458	952302	593864	1013145	1583320	748563	536278	1184081	622727	777494	1594539	868222	820515	1316217	541208	747880	27004	968413	932069	542635	871258	903146	1032226	775561	1064184	478320	1974666	583366	15411	969400	543161	Lipid	0.2777778	1.3333334	0.0
16	C18 H24 O5	321.16965	321.1701	0.17244071	321.1697	1632068	1816313	1715085	1708505	1330760	1058100	1684863	1788647	1199261	1634157	1217069	1269707	1328305	988459	1447715	2248972	2580366	1570890	1979825	2258075	2291285	1671199	1486623	1984649	1324774	2636303	1672356	1088757	1666605	1728078	1606883	1893902	2063116	1412611	1715068	1884292	1876641	1267380	2535128	1554385	1830231	1318401	58516	21546	22560	1189574	1447022	25878	2012822	1706961	1764390	1761805	1328818	25513	1418784	1271100	998503	2171761	1148280	1616577	1856209	973154	1361422	1184795	862616	1483510	1309967	2362452	2205435	2841146	3164349	1416375	1547575	1686223	2250452	1816129	17952	1127261	1947064	1214225	1382485	1063357	1786064	1524020	1504969	1011426	2007743	1354614	1462627	2670838	1579438	1686768	2268287	1103940	1543180	35843	1746324	1758855	1099706	1489809	1737375	2215641	1080330	1689237	694355	1801393	1202585	21244	3207018	1370945	Lipid	0.2777778	1.3333334	0.0
6	C17 H24 O4 N2	321.18088	321.18146	0.14020821	321.18094	78905	82666	71931	80222	39339	36557	63176	101582	29373	113800	44459	45020	26960	23565	69240	100755	73114	42129	62670	136379	128999	104707	56478	122143	83397	70071	56664	50734	86817	73384	82841	94387	104229	76646	130741	83996	113969	56357	93281	100610	76403	35412	0	0	0	74905	75929	0	103956	80360	76143	76462	40696	0	44960	14626	21010	91802	8418	20627	97692	60442	24445	28054	17412	37057	46008	101345	46107	130294	103476	71983	75451	76791	63859	74449	0	51848	61092	55884	43602	24254	25108	74004	26690	28486	65897	41379	43372	157319	106534	82355	175631	63335	103358	0	76591	69659	21888	14747	20825	97615	48255	103863	42416	90018	37842	0	66998	42013	Lipid	0.23529412	1.4117647	0.11764706
18	C17 H24 O4 N2	321.18088	321.1813	0.08444023	321.1809	20519	19179	20961	15388	10393	8820	12678	14226	6079	19161	13482	10517	6496	12225	12167	24076	18406	11934	13604	24688	18975	30032	12650	23618	15136	18325	12740	18781	16443	13316	15517	18497	20657	15940	20692	17113	21706	11472	18493	22097	23787	13054	0	0	0	17704	11242	0	25195	13830	20931	15511	9352	236	7734	5537	24737	27142	11066	12429	21824	12185	5474	8876	7864	6041	12450	19851	7432	20689	20150	14771	10136	13437	20683	15591	0	12359	11392	28332	11574	12805	11989	15239	3850	7135	14031	15935	11409	31258	35239	38174	34820	17464	17759	0	17368	18308	7721	5272	3963	26891	8739	20421	9240	22736	9623	0	13272	8042	Lipid	0.23529412	1.4117647	0.11764706
16	C17 H24 O4 N2	321.18088	321.1813	0.07440184	321.1809	34825	35838	29866	36999	21374	21311	27388	40194	16069	45375	30497	21562	16735	19777	22559	42696	37258	20171	25321	58500	51038	57316	27987	49966	32160	30354	28965	34369	31418	28741	30472	47010	40598	40384	43946	45117	52454	27285	47963	54259	52923	17335	401	0	0	42076	32561	0	44276	38569	34457	36224	20559	0	11782	10068	20778	46446	30131	35531	33741	31815	14418	13608	10807	23704	20346	49725	26135	42164	41066	37590	38784	34595	34480	36497	0	22012	26143	36623	25629	31473	37641	37276	9414	13838	42115	24169	19733	67489	58678	58148	67979	34228	72123	0	37450	35311	13288	10106	12850	46153	21049	41854	23499	48954	19254	0	38708	37946	Lipid	0.23529412	1.4117647	0.11764706
10	C17 H24 O4 N2	321.18088	321.1814	0.17046162	321.18094	46407	47842	51945	43665	24134	22278	31973	57448	22688	66560	33189	27420	24813	14707	29265	59512	44548	22733	34033	83598	84545	76524	32091	68704	42009	54401	34035	36570	47263	44267	40125	58483	69518	48652	88738	51130	71921	33953	56729	80459	62388	21189	0	0	0	48848	56278	0	63693	44335	56741	52831	25601	0	47229	8083	13078	66103	10641	27977	56748	36486	15006	26091	10977	29637	24755	57597	40292	90654	79412	43537	41592	43734	43335	49825	0	28951	35346	30936	31826	21371	21913	44781	10528	13359	38371	26034	24885	76221	131443	64677	105869	41482	77789	569	46780	53411	11660	10869	11134	61203	29419	59158	0	53483	14819	0	38944	107002	Lipid	0.23529412	1.4117647	0.11764706
4	C17 H24 O4 N2	321.18088	321.18152	0.17467222	321.18094	60113	59285	56598	53818	20714	23134	35762	74989	18212	69971	34661	34484	19465	14288	49738	72020	55647	27837	37271	77839	76000	86912	51864	78904	54949	45142	38453	32017	55162	45319	61073	61524	62798	45396	103271	55051	65498	52887	63701	98870	58318	25369	0	0	0	56789	53494	0	77755	61017	53700	50079	25218	0	30954	9727	16335	69161	12136	14803	73281	53843	20767	20094	10892	23289	24714	63960	32845	66854	63468	52507	45877	53777	54717	46526	0	48112	49198	42410	38622	18372	27902	44645	16729	17686	49066	27282	28322	90728	86283	62498	128478	46225	88167	0	56277	59939	14311	11815	11581	62158	50710	85544	29915	60656	14867	0	49256	24989	Lipid	0.23529412	1.4117647	0.11764706
12	C17 H24 O4 N2	321.18088	321.18137	0.111605555	321.1809	38216	34290	41124	40183	16308	18153	28939	54216	13258	47310	23542	24581	7880	8449	25825	47016	44831	14630	22931	68310	60116	78303	33552	49355	28739	42792	30756	22301	39221	35255	36562	42202	44873	40262	62822	35269	44392	21586	58469	64141	63895	20636	609	0	0	53390	50443	0	47060	31467	35471	39713	20759	0	11366	4655	10071	62990	16004	33915	29960	31100	9571	9285	8523	18082	21031	62967	29557	75818	60115	42034	42776	36691	32668	38375	0	31423	26469	26909	28458	25558	28071	36143	5591	10994	31558	21499	23519	71515	85240	74352	73747	43196	60728	0	39458	43850	9225	5417	7079	39672	23517	48253	0	42810	11528	0	33912	15490	Lipid	0.23529412	1.4117647	0.11764706
14	C17 H24 O4 N2	321.18088	321.18137	0.10769208	321.1809	45798	42284	46931	47276	19211	16753	31624	45985	14909	58947	33437	31429	14212	15267	27796	53246	59332	22308	23546	60778	60535	66126	29064	50631	39519	35572	34928	102199	41426	47046	39489	53238	65201	41294	62050	49141	50732	34073	52541	63021	73149	23719	0	0	0	49489	47659	0	42213	35248	48099	43365	20564	0	16141	6734	15336	56423	28337	43201	53678	33630	11041	13423	11437	18600	22478	58900	28776	54477	56761	39994	44302	39797	44082	36703	0	29836	33972	54744	25926	35347	39443	49043	8162	9992	38953	26402	26113	83161	105669	103554	78977	49719	79459	0	47063	43310	9783	9690	10018	47137	28491	59274	22255	50449	14168	0	45071	20104	Lipid	0.23529412	1.4117647	0.11764706
20	C17 H24 O4 N2	321.18088	321.18127	0.042863425	321.1809	4530	4852	4851	6879	11742	17752	5921	6852	1735	4259	2992	2779	4239	17422	4784	6811	5288	5470	5264	2870	2456	7996	2604	8198	5127	2482	2221	4570	7193	4014	3728	8699	10187	4578	1819	5452	5386	2654	5425	5039	7146	8295	0	0	0	6071	3863	0	8787	4807	5940	3637	6182	0	0	0	37172	7001	2884	4168	4613	2426	1627	6561	3732	9201	14677	7365	3523	5342	6313	3171	3926	3890	5212	3246	0	3016	1475	5315	2348	2793	2601	0	0	4040	4322	8335	6057	9253	16348	14978	13959	3726	4222	0	2894	5273	0	0	0	23231	3502	3871	3783	7043	1511	0	4145	5819	Lipid	0.23529412	1.4117647	0.11764706
8	C17 H24 O4 N2	321.18088	321.18143	0.17264815	321.18094	85425	95726	79344	87230	29914	38485	61306	99738	38601	111556	47020	45193	29502	25418	60582	96946	63489	38126	67282	148714	139791	118142	53482	111895	90652	64563	65287	67318	99969	73752	85313	101901	118839	75897	146924	92401	135516	54414	80663	126383	82754	42486	0	0	0	86213	71737	0	107616	77633	71268	82462	38184	0	53646	14676	23245	98150	8545	23755	96854	51802	27927	32981	19627	38282	41033	87734	52698	133614	106026	80409	79889	77431	62538	70434	0	57169	62728	71216	55471	23394	27041	69761	19529	21962	58954	45370	47574	119529	273181	163975	185177	68187	127769	0	86681	78699	25370	14193	15136	109502	49497	100049	33369	89045	28018	0	63903	42585	Lipid	0.23529412	1.4117647	0.11764706
2	C17 H24 O4 N2	321.18088	321.18152	0.17820244	321.18094	58646	58037	52455	49615	12801	26335	48615	99677	13175	55672	28797	53319	13781	12111	97401	65297	63853	20620	24375	61901	71047	59431	42047	78050	40244	28736	40858	25353	86358	73918	79717	70795	93029	65426	68928	80431	78999	53206	68934	84193	46434	30074	307	0	0	37516	37994	0	97297	84614	51296	51900	19251	0	23530	6927	11044	71482	14396	19442	60707	43440	12568	16617	10142	19931	26257	80636	26260	51205	47648	75156	70775	90316	53219	67418	0	60897	38629	21748	33555	18632	27155	36574	8895	15031	36083	24217	25914	80080	64173	57929	100796	34836	63478	0	57112	61925	10753	6471	7660	72829	54910	122163	25193	74818	11038	0	39354	17493	Lipid	0.23529412	1.4117647	0.11764706
22	C22 H24 O2	321.1849	321.18533	0.21397084	321.18497	23620	24788	18350	20546	19622	11052	18801	28916	14926	9658	19847	23537	9846	15948	24153	34470	41137	13306	19075	15043	16411	13740	21622	25145	25849	44876	21946	19453	24327	33909	22121	28079	30128	18542	13938	31916	22188	21192	40720	14512	25334	21692	0	0	0	15085	16335	0	27926	25296	28184	26734	15976	0	8507	13287	17772	34453	15255	21121	27719	14274	11890	12730	17269	16973	20140	42642	33189	34754	48341	15207	20822	23365	34494	26701	0	18829	34489	18939	25290	19401	16481	18468	23133	19775	32922	18091	21954	50353	20929	24784	27290	15815	18313	0	17354	23071	18194	19205	19536	32637	18082	24216	11651	28224	17195	0	27406	12741	Phytochemical	0.09090909	1.0909091	0.0
20	C22 H24 O2	321.1849	321.18533	0.18318294	321.18497	16591	14428	12218	9439	9597	6438	12435	12735	6416	5614	6588	11823	6107	9051	12474	20627	32833	5397	11273	9055	7849	12300	8378	10601	13619	15509	18415	10498	12037	13271	13733	20291	13230	10788	4435	15338	14629	10946	32194	7223	12712	7774	0	0	0	5672	11998	0	13567	17389	10440	11184	11739	0	6698	9969	10121	16055	9388	16534	13968	3772	0	5859	7672	6214	8825	31533	12557	13913	17514	10187	7248	14312	24223	14001	0	11248	19697	14151	17651	5952	8805	0	11284	10541	20802	9901	9297	28898	10675	9281	15584	9995	5788	0	14291	12625	9005	16542	15308	13821	13446	15670	4161	14264	8839	0	17292	6555	Phytochemical	0.09090909	1.0909091	0.0
6	C16 H24 O3 N4	321.1921	321.19254	0.021847855	321.19214	2054	2099	1348	1333	2719	4784	809	3540	693	1356	3067	0	0	0	549	3792	2809	2080	699	0	1062	0	0	3460	1166	519	838	37575	1395	1052	4324	2232	1810	1377	0	1749	841	661	4254	0	0	1020	0	0	0	0	0	0	6004	786	1934	1255	3243	0	0	0	359	2906	0	0	4329	0	0	0	0	0	0	5091	0	0	0	1292	1760	1091	1247	1109	0	673	0	3871	553	0	0	1209	0	0	854	1410	661	2192	21099	5057	2720	0	0	0	1017	1704	1119	0	0	1261	905	0	0	6004	654	0	618	0	Peptide	0.1875	1.5	0.25
20	C19 H28 O4	321.20602	321.20645	0.17210376	321.2061	496170	503642	496039	435396	387657	307129	768773	442411	318702	410435	335972	311615	369106	453336	386529	700229	799158	393382	523629	482349	533108	404763	295268	391691	341572	701365	828716	385538	500566	427811	333703	508780	540137	430404	410799	502019	542762	333957	771504	299120	474509	418888	20675	5239	3059	251818	348985	6431	466295	365622	480757	487424	395303	9925	374553	427939	310712	683697	266216	378780	564646	210797	384348	328295	321905	459777	440249	757841	451261	574210	731627	325002	393384	474347	785289	471848	3345	270698	513678	436427	285157	211824	776713	672161	470509	370884	608208	382417	377036	849455	627316	525431	610726	308582	381541	11211	491142	514495	418645	615505	763907	622659	289584	440411	246869	456935	409965	6030	414568	355007	Lipid	0.21052632	1.4736842	0.0
22	C19 H28 O4	321.20602	321.20645	0.170549	321.2061	925439	942484	822626	906831	782453	617213	1276874	823583	590104	1034505	766816	486586	694719	836528	684846	1274029	1073948	860539	856618	1231623	1331162	1009288	570776	631018	744978	1363560	1331273	855652	911564	762875	626878	913625	1016736	835442	913311	957451	980736	671643	1140519	751025	858174	717288	39038	9951	6242	554754	747233	11555	898169	686968	918055	870451	693093	18956	755130	785316	574607	1333483	495573	640271	1143791	523713	750246	581006	541699	966873	902067	1078518	947443	1420253	1363307	591991	700753	822468	908383	836950	5909	479209	770020	990912	503197	537476	1033878	984160	738643	670997	943704	676128	717692	1866379	1475038	1471175	1455318	972685	1283291	14744	821449	984846	683340	982287	994685	1211554	494750	818431	565275	866162	680426	6047	748249	659373	Lipid	0.21052632	1.4736842	0.0
18	C19 H28 O4	321.20602	321.20645	0.15934885	321.2061	197366	217715	186536	182632	150296	115115	338831	197400	112706	129073	123067	134818	138500	167084	162250	273796	389369	145707	200875	147347	144744	151472	146637	165504	167918	252506	344077	130839	207390	189642	155528	220025	226306	184749	121371	233417	211449	153275	405969	99960	149032	157332	9941	2454	2317	107171	123753	2948	220905	174815	193799	200319	147981	4154	157075	169683	131602	255966	95574	166860	216278	78952	162635	127197	137208	169470	183926	436916	141059	157339	230498	125840	143942	203542	365411	194672	1778	109964	221327	166056	161943	108734	352522	322492	197080	155940	298168	131942	156719	389977	237815	212164	248338	113287	142670	4450	195680	194999	151080	251111	289265	268668	110981	153521	69280	168713	152918	2536	201076	112501	Lipid	0.21052632	1.4736842	0.0
14	C19 H28 O4	321.20602	321.2065	0.21376829	321.20612	23839	29290	26820	28593	22833	8765	46941	25711	14767	8216	14165	21979	9200	13230	19405	34291	56398	12169	12684	14408	9984	13850	19977	22919	24092	13441	37196	14152	23117	27404	18614	26634	23971	16654	9016	32808	20950	21395	52000	7244	14664	14280	0	1582	1416	10318	15640	2397	30519	24433	28781	28863	16092	1629	12305	18221	18336	41348	11110	24837	22176	4395	13190	13718	14898	13688	17307	59368	0	10045	15805	14672	20707	32225	47536	26261	1178	22261	36082	0	25073	14710	30924	25226	27847	20775	42558	16341	15230	77888	22722	24749	30411	14122	11012	1797	26381	29804	20823	32629	35770	23615	18639	15673	0	27152	21111	1477	37322	7210	Lipid	0.21052632	1.4736842	0.0
16	C19 H28 O4	321.20602	321.20648	0.14868674	321.2061	63509	72628	70861	73450	49506	35809	106607	68038	39448	37653	40083	54404	42213	53545	58383	102062	165037	46664	57815	46488	47191	58814	55468	72669	61607	69748	108962	74594	75156	73420	60713	85802	74843	50667	36640	90689	65008	56672	164316	26496	52283	47892	9494	1361	1955	39341	41804	3126	78564	67917	82449	68990	51408	2341	53881	55254	44416	99085	60180	126192	73692	17001	49421	39732	43326	48224	56510	139355	43730	47514	68895	45398	59775	89679	130134	84980	2360	39722	86492	112198	60315	37594	128306	96739	84914	55967	118721	42698	46639	203562	72375	62075	87129	40842	42461	2886	72880	61189	62890	107649	131271	89264	49930	49954	23393	82000	69742	2082	85433	32139	Lipid	0.21052632	1.4736842	0.0
12	C19 H28 O4	321.20602	321.2065	0.1740752	321.2061	15246	12142	12704	12353	2911	4062	12290	5964	3448	2346	2158	7269	2642	5296	6627	19109	18294	2166	5039	2990	3307	9931	6534	15225	6771	5668	14692	0	6669	13626	5592	13645	7328	8290	3057	11341	7731	5451	11697	2533	5951	5505	1669	1273	1567	3019	4596	2021	11708	11377	12080	8496	3339	1154	5553	7679	4072	10918	0	0	15888	0	2777	1984	4330	3275	2164	17843	0	4387	5089	4040	6777	12962	22960	11516	1222	5747	10291	0	5739	4876	7289	3670	7301	4844	13265	5791	4158	23338	12406	10791	16296	0	10006	1189	12219	14773	6447	7770	10116	13371	5991	9740	0	6878	7110	1079	10226	1335	Lipid	0.21052632	1.4736842	0.0
6	C18 H28 O3 N2	321.21725	321.21783	0.17759334	321.21732	5348	7109	5760	3573	835	1269	2584	5821	922	7260	2611	3550	613	1340	4027	9217	4604	1856	3005	8037	7510	7378	4146	9907	7665	2949	3543	4674	4302	6370	6612	8369	4032	5771	11235	8021	6060	3423	6950	5660	1358	2056	0	0	0	3534	4130	0	8275	5247	4398	5461	1917	0	0	500	1030	9485	0	0	8119	1536	894	0	686	818	2712	10494	2821	6858	4840	4553	5569	5784	4476	5155	0	2674	4809	2949	2246	0	0	4171	0	0	6070	2357	2580	27903	12877	1873	21832	2732	9337	0	4648	3947	369	0	0	7004	3726	4668	0	6838	0	0	5979	0	Lipid	0.16666667	1.5555556	0.11111111
22	C16 H32 O6	321.22717	321.22787	0.18978669	321.22723	0	0	0	0	0	0	0	0	0	15323	6481	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1526	0	0	0	0	0	0	0	0	0	0	0	7382	0	0	11898	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2331	0	1763	0	0	0	0	0	0	0	0	5364	0	0	2845	0	0	0	0	0	0	0	0	0	0	121307	0	0	0	0	0	Lipid	0.375	2.0	0.0
24	C17 H33 N2 S1 Na1	321.2335	321.23386	0.27843732	321.23358	1391	2632	2971	1918	0	0	2879	4377	0	0	1201	1472	0	1666	1519	3343	6019	0	0	0	0	1374	0	2839	1529	3336	4737	1337	1585	2454	0	12029	1632	2375	0	28991	1931	2143	3991	0	2073	2976	0	0	0	1264	1696	0	2091	2478	1110	2224	1615	0	0	0	703	3271	0	1549	1924	1078	0	958	1186	0	1202	2927	0	0	1258	0	1488	0	14445	2083	0	1307	1135	2529	1356	0	1270	1677	0	0	2347	0	1977	9410	2523	3965	2476	0	1432	0	1522	1977	880	0	0	3656	774	1223	0	1567	0	0	2110	0	Organosulfur	0.0	1.9411764	0.11764706
24	C20 H32 O3	321.24243	321.2428	0.19515468	321.2425	183729	196375	171623	179136	123459	77023	1331132	322660	52471	69909	183745	95058	109354	363756	141255	392314	301112	60503	118979	74437	64155	131397	108271	213234	165214	232445	1330752	433825	157148	189174	132136	178410	119126	128560	74288	191618	107089	137002	310207	63215	150896	141805	24974	5277	0	99854	133464	5550	147799	345314	184979	174608	83403	13325	74447	83153	81868	312742	74696	161304	354776	64767	172589	51365	230746	143384	193274	272167	71901	83664	123511	137856	117705	177913	250925	192155	8072	96539	173150	699989	102063	163601	405273	473526	80517	81977	409712	95539	119277	771278	324268	231669	272342	127869	123040	7219	181010	198530	89187	73250	95897	167827	81905	158432	106827	183737	70829	5100	218523	69916	Lipid	0.15	1.6	0.0
18	C20 H32 O3	321.24243	321.24283	0.16755062	321.24246	3405	5063	2213	1568	1325	0	7180	10667	0	0	0	1486	0	3636	3356	13655	12504	0	0	0	0	0	4559	5723	5644	0	10663	0	5890	5649	2178	5663	2930	0	0	4284	0	3436	14057	0	0	1479	0	0	0	3011	2047	0	2228	7247	0	2888	0	0	0	1390	0	9351	0	1869	6972	0	0	0	2650	0	0	10597	0	0	0	1866	1207	6760	15462	0	0	1316	9322	5126	2557	2580	4059	2178	1440	1164	11291	0	2318	52557	5937	0	16617	0	0	0	2473	3208	0	2446	4294	3785	1524	0	0	6106	1794	0	9725	0	Lipid	0.15	1.6	0.0
20	C20 H32 O3	321.24243	321.24286	0.21164146	321.2425	14905	20290	16066	17594	7492	2492	62099	34915	3665	2176	3267	14716	1855	17974	18370	49479	51180	0	3656	2509	3760	14282	16242	25217	26698	9491	58953	6903	18136	21487	11843	21994	10844	14011	1692	19654	10562	22030	45286	0	5945	5600	912	0	0	2486	8976	0	19070	23989	17702	23759	5267	329	4900	5730	7102	46029	2195	11211	43401	1315	5592	1742	11638	6429	10343	54196	1427	2916	2786	12258	33338	20074	56376	18170	0	10131	38791	16999	14257	7300	47395	47660	9035	10281	63826	5444	9251	206082	23920	15868	44438	7320	6353	0	16906	17568	6252	11863	14977	15415	8205	4596	3493	23661	8988	0	37186	0	Lipid	0.15	1.6	0.0
22	C20 H32 O3	321.24243	321.24283	0.1658449	321.24246	61656	64742	61521	67315	33116	24095	383406	178420	15252	9632	30191	46749	14536	74642	63307	164802	151319	12346	31391	14929	16131	53395	63504	113878	93028	67197	380400	36720	56317	78264	51220	72838	39447	48761	15697	72198	43164	65278	155515	11025	45705	27076	5470	0	1000	34121	43592	0	57862	185753	62058	59232	28664	1669	17893	35083	30365	128935	18172	62051	156200	13013	43011	15982	60189	35300	56462	152759	20479	20734	32322	45509	43929	58996	154456	82678	702	37244	89491	87612	46747	43608	160904	176384	36910	42664	164863	25075	31685	388488	90998	71383	122594	30875	37909	0	58598	69666	33445	42988	42648	64247	42650	38892	31447	86421	32743	0	120415	14225	Lipid	0.15	1.6	0.0
24	C17 H36 O5	321.26355	321.26398	0.28327733	321.26364	1779	3325	2645	3890	5984	27431	0	0	0	0	0	0	5809	171784	0	0	0	1266	17623	0	0	1723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1223	0	0	0	1354	28868	0	0	0	0	1546	0	0	0	4005	3237	2787	0	0	0	0	0	0	0	0	0	0	0	0	1526	184241	0	0	0	0	0	0	0	0	0	0	0	0	1979	0	0	0	0	0	0	0	11092	27189	0	0	0	0	0	0	0	2982	3048	0	1413	0	2382	0	0	0	0	0	0	0	0	Lipid	0.29411766	2.1176472	0.0
26	C17 H36 O5	321.26355	321.26385	0.1158564	321.26358	11743	8761	13888	10463	4366	9722	1833	0	2328	1858	5133	0	0	36932	0	0	13304	0	8551	0	15550	12166	0	0	0	8556	4121	18759	0	0	3477	4011	37602	0	17505	0	23034	0	12773	0	21000	34587	0	0	0	0	19501	0	0	0	12538	10745	3607	11847	0	0	0	1868	0	10680	0	0	7608	6134	0	5460	71408	19686	0	2477	23074	0	0	0	0	0	0	0	0	26288	0	7898	5144	2687	0	301857	0	5852	12615	32734	16272	23815	12329	3856	0	0	11900	8435	0	221049	286765	59372	3132	5870	0	19207	0	0	0	3963	Lipid	0.29411766	2.1176472	0.0
26	C21 H36 O2	321.2788	321.2792	0.20345445	321.27887	18889	16286	15533	14832	4259	5597	464035	6147	4048	3844	51070	7025	0	150515	7388	0	14456	0	3844	6403	0	5182	0	5116	8748	60131	487029	69605	5964	9389	3607	7056	5542	4136	4703	8895	3512	9943	22955	4346	26376	8096	5642	0	0	9628	15269	0	6363	9014	18869	17499	4788	0	0	17718	17996	5427	7432	28419	31904	12157	32856	3933	176551	5893	27329	12680	41107	10423	19435	2530	3884	13494	0	7323	0	5211	9099	58537	5602	34437	45144	71862	5365	7029	19563	5182	7631	12113	22048	17542	6255	19022	6374	0	20766	18891	26341	3069	0	5862	6403	26674	21620	6169	4801	0	9782	5758	Lipid	0.0952381	1.7142857	0.0
24	C21 H36 O2	321.2788	321.27914	0.18320079	321.27887	3925	2688	2000	4418	0	912	95316	1178	0	0	1770	0	0	37631	0	0	4642	0	0	0	0	0	0	0	0	10975	95497	9942	0	0	0	0	0	1519	0	0	0	1702	5439	0	3008	0	0	0	0	0	2237	0	1162	1245	3679	1974	0	0	0	2738	1619	1028	0	3908	4852	938	7261	0	31343	1541	5531	1562	3980	0	4728	0	0	1941	1375	0	0	0	2361	14316	0	5386	15938	18269	0	0	5192	0	1615	6758	10075	3952	0	0	1688	0	2620	4131	3513	0	0	0	0	3445	1287	0	0	0	0	0	Lipid	0.0952381	1.7142857	0.0
2	C17 H7 O6 N1	322.0346	322.0353	0.17770015	322.03467	0	0	0	0	0	0	13012	0	0	0	0	0	951	0	0	0	0	408	0	0	0	0	0	0	0	11102	0	5267	0	0	0	0	0	0	0	0	0	4797	0	0	0	0	0	0	0	0	624	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3847	0	0	0	447	0	0	855	0	0	0	0	0	0	0	0	0	689	0	0	6409	10278	28945	5171	12731	4431	0	0	0	0	0	0	400	0	0	0	0	457	0	0	0	0	0	2910	0	2904	0	3212	0	Phytochemical	0.3529412	0.4117647	0.05882353
8	C14 H11 O8 N1	322.05576	322.05637	0.37524667	322.05588	2357	2715	1136	2720	7792	1626	0	0	8995	0	1837	654	16289	0	783	0	0	4953	3576	981	2873	5000	1966	0	0	0	0	0	0	845	779	871	2722	0	1758	0	1516	756	0	0	2628	1812	0	0	0	0	2426	0	0	0	2291	1450	4184	0	9024	9744	2919	1024	0	849	0	964	21623	12141	2017	9409	2565	1516	0	0	0	0	0	0	0	0	0	0	1497	0	1815	0	0	0	8158	0	1474	3484	3317	3220	0	0	1735	3120	1022	0	2333	1840	7030	10854	9614	0	683	0	0	1785	4876	0	0	18197	Phytochemical	0.5714286	0.78571427	0.071428575
18	C14 H11 O8 N1	322.05576	322.05624	0.36014482	322.05585	4545	4492	4495	2251	10671	5346	2693	0	10071	3473	2809	2505	20041	6451	3658	2616	3283	10843	10126	0	0	4522	5631	3423	0	0	1079	0	0	0	0	0	0	0	0	0	0	2348	1704	1237	2902	2539	351	0	349	0	3351	566	0	0	3134	3408	7467	320	11720	8228	5497	1490	0	1590	0	0	17439	14107	3812	18526	3922	2894	0	0	0	1698	0	0	0	0	259	1763	5293	4642	4154	1491	0	0	8311	4485	3776	6204	4631	5628	0	0	6620	5148	3747	0	4054	1883	4704	9420	10656	3044	2370	0	0	4227	7177	0	0	19939	Phytochemical	0.5714286	0.78571427	0.071428575
10	C14 H11 O8 N1	322.05576	322.0563	0.3428709	322.05585	6064	6532	3798	6406	16878	4978	831	1211	21004	2542	3169	3954	26949	4807	1413	2958	4252	16161	17024	4038	5464	11360	4095	3662	0	0	1938	0	0	0	1184	0	5585	1087	7455	1042	3930	1908	3365	2874	8874	5315	0	0	0	2791	3026	0	2086	935	4519	7489	9283	0	19868	15230	5681	2797	0	3759	0	2367	32057	25465	4671	21635	3066	6146	0	0	2035	0	0	0	3978	1046	0	1235	7392	0	4637	1392	0	913	17333	3828	6578	11198	9318	10492	0	3774	6579	11075	4236	0	4548	5319	13745	18597	15741	2818	2295	0	0	7079	9668	0	839	37757	Phytochemical	0.5714286	0.78571427	0.071428575
6	C17 H11 O4 N3	322.08224	322.08276	0.14639089	322.08228	0	0	0	0	0	0	0	0	0	0	828	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61465	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	108270	0	0	0	0	0	0	0	0	0	0	0	1283	0	7917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.23529412	0.64705884	0.1764706
8	C6 H16 O5 N7 S1 Na1	322.09042	322.09085	-0.16120099	322.09036	1315	1141	0	1267	1910	1150	0	0	1984	0	0	0	1200	0	0	0	0	1031	976	0	933	1019	0	0	0	0	1373	0	0	0	0	0	0	0	0	0	1160	776	0	1570	3001	0	0	0	0	0	0	0	0	0	1063	1102	1695	0	1137	0	1839	1411	1360	1980	0	2445	1182	2101	0	1426	2124	0	0	0	0	0	0	0	43097	1073	0	0	0	0	0	0	1373	877	1857	0	862	1303	1784	0	0	0	0	0	1114	0	0	1185	1442	757	0	0	0	1888	0	957	0	0	758	1549	Organosulfur	0.8333333	2.6666667	1.1666666
4	C13 H15 O3 N5 S1	322.09683	322.09756	0.81767464	322.0971	0	0	901	1061	0	11939	0	0	0	0	0	3173	0	0	1048	0	1324	0	717	0	0	0	0	0	1049	0	0	0	0	0	0	0	0	0	0	0	0	1211	3192	0	0	40753	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45531	0	0	0	0	0	0	0	5345	0	31514	3702	0	0	0	0	752	1876	0	568	0	1676	877	0	1020	0	0	0	0	0	1222	0	1343	9522	0	0	0	0	0	0	0	818	2569	0	0	0	2108	0	0	0	0	0	5868	0	Peptide	0.23076923	1.1538461	0.3846154
14	C19 H15 O4 N1	322.1074	322.10797	0.34700117	322.10748	0	0	0	0	0	0	0	0	0	0	4284	0	0	0	0	0	0	0	0	2429	0	0	0	0	0	20181	0	0	0	1216	0	0	0	0	2220	0	0	0	0	1470	4614	0	0	0	0	0	3734	0	0	0	1544	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1634	0	13951	20843	0	0	0	0	0	0	0	0	0	0	0	0	1227	0	0	0	2125	0	0	0	0	0	2755	0	0	0	1919	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.21052632	0.7894737	0.05263158
18	C19 H15 O4 N1	322.1074	322.10785	0.26875737	322.10748	2059	0	2287	0	0	0	0	1656	0	3558	7063	1273	0	1170	1489	1729	0	0	0	0	0	2507	0	2252	0	16999	1419	5395	0	0	1680	0	0	0	0	0	1704	0	3494	2340	7457	1722	0	0	0	0	4570	0	1887	0	0	0	0	0	0	0	0	0	0	1672	0	1943	0	0	0	1908	0	0	21059	11623	21539	0	0	0	0	0	0	0	1550	5712	0	1257	0	3603	0	0	0	1317	0	4292	0	0	0	3516	2200	0	0	0	0	0	0	0	0	0	2450	1447	0	0	1335	0	Phytochemical	0.21052632	0.7894737	0.05263158
10	C12 H19 O9 N1	322.11325	322.11383	0.33820727	322.11337	10571	7626	8238	8059	23125	17419	0	4223	37209	0	5202	5376	65567	12462	5735	4516	10442	38022	35845	6976	9665	2674	7275	5331	2819	0	1531	0	7083	5844	4917	4859	7529	4306	6065	5968	11299	4454	7006	2667	4113	20089	0	0	0	0	0	0	4927	5671	9418	9449	19709	332	50089	31933	10593	2904	0	4210	0	2647	51352	36639	9796	35077	12379	4426	0	0	0	5219	3585	4665	6505	4180	0	3760	3833	0	3298	0	0	0	32467	10005	3678	12466	14362	4820	0	4807	4083	4267	2149	0	11605	11648	21309	24059	27585	11203	5255	0	0	4282	29768	0	1121	63717	A-Sugar	0.75	1.5833334	0.083333336
6	C12 H19 O9 N1	322.11325	322.11386	0.30652207	322.11334	65965	6380	56991	5461	12145	8313	3099	57327	12564	78660	58057	4863	34995	6445	49366	65001	7639	70688	20009	63135	94267	90591	5694	5592	1832	100518	3218	23247	4945	4334	3993	3900	7334	5290	108583	6311	7195	34209	5265	65256	0	11084	0	0	0	0	2355	0	63463	50543	65307	65612	10501	0	20423	23031	39021	69688	0	1597	73533	51885	25536	13738	26028	16604	10215	9709	50115	63909	100530	45024	5926	5367	35717	43538	0	4121	51885	30129	44434	0	29351	32055	61252	10232	3410	8871	8055	2290	41061	60915	3745	64780	70728	0	64765	59932	8967	60780	29621	11826	4983	0	0	5392	17899	0	2833	27112	A-Sugar	0.75	1.5833334	0.083333336
12	C12 H19 O9 N1	322.11325	322.1139	0.41021782	322.1134	3505	0	3655	2921	14218	8257	0	2945	24529	0	0	3006	38123	7593	3094	0	8592	26638	24563	2055	2571	0	5914	0	0	0	0	0	3132	2787	2154	0	4547	3684	0	3695	3237	3850	4712	0	4925	12080	0	0	278	0	0	0	1668	0	6211	0	13137	0	35327	18806	6192	0	0	0	0	2529	27951	25098	7062	23741	8291	6604	0	0	0	0	0	0	2157	0	0	4065	0	0	2597	899	0	0	14759	7381	2606	5522	6841	0	0	0	3648	0	0	0	4000	5920	11801	15102	15007	0	3078	0	0	5486	19602	0	0	41899	A-Sugar	0.75	1.5833334	0.083333336
8	C12 H19 O9 N1	322.11325	322.1139	0.34054917	322.11337	9778	4240	8568	6314	21328	12707	2838	5262	23289	0	5645	4811	54757	8881	6437	4874	6452	33442	31289	3750	6387	0	6690	2885	0	0	2882	0	5639	5356	0	3671	7278	6713	2586	8193	7436	4150	6023	0	2822	13043	0	0	0	4036	0	0	4090	5638	9252	7623	14755	283	37451	32352	11449	0	0	2901	0	0	41770	28123	8043	24473	9961	6256	0	0	0	3397	6058	4194	5930	3169	0	4123	5253	0	1908	1629	0	0	30642	6908	2651	12349	11329	0	0	0	3065	0	2051	0	7429	10543	18648	28478	34210	10999	4874	0	0	3488	30276	0	0	47731	A-Sugar	0.75	1.5833334	0.083333336
12	C13 H23 O6 N1 S1	322.1319	322.1323	0.008506643	322.1319	6758	5689	5629	3380	3546	3479	4056	6283	2457	0	0	6828	3818	3052	2175	8412	0	2420	4185	0	2496	0	6878	11538	3389	0	1922	0	10361	8258	15979	22761	99468	43752	4422	16335	17153	1759	3157	0	0	5453	0	0	0	0	0	0	10607	3005	4745	6136	5851	0	1982	1604	0	12202	0	0	0	0	1110	1853	0	6218	5860	0	0	0	0	11090	8137	3172	13304	8590	0	5129	0	0	3159	1452	1132	0	1395	2132	6118	6197	4726	0	0	3031	6250	0	2203	0	4136	9756	0	0	1747	58586	5769	0	0	11087	2461	0	1668	2737	Organosulfur	0.46153846	1.7692307	0.07692308
0	C15 H19 O5 N3	322.13974	322.14044	0.14208062	322.1398	9772	11890	9768	9552	6336	8449	4849	13555	7808	6256	3523	8281	8933	0	6944	0	12017	10992	12754	7682	12593	13304	9854	11499	5683	1541	0	3019	11282	5865	8818	8104	17911	13525	10348	14401	14533	6731	16289	7852	8460	11524	0	0	0	6552	4225	0	13323	6246	9269	7495	7736	0	9213	4472	4621	14099	4926	8461	4062	3219	9618	8836	9254	11761	12880	18675	1687	4753	2446	8778	16778	8827	0	11845	0	7413	8504	8928	6105	1913	5401	1873	4975	6255	8629	10844	11044	11327	7857	10162	27143	6933	0	0	9242	10161	4535	3520	4291	7697	5613	9704	3777	17634	5735	0	6939	13723	Peptide	0.33333334	1.2666667	0.2
10	C15 H19 O5 N3	322.13974	322.14026	0.15215735	322.1398	64904	57527	60444	56078	26495	26487	47885	82519	25803	47541	31614	53383	27386	12041	57705	80271	0	38521	44068	54318	57018	100666	58745	89523	59687	16449	51757	27487	0	61002	63558	65487	77600	59569	52449	59211	79016	0	94795	74026	74282	28568	0	0	0	62013	60425	0	75382	63081	58036	61514	28376	0	36629	12467	0	0	75936	68806	78156	44788	25678	24597	24818	28446	30508	91177	23733	39773	33220	75009	67317	58256	54084	59423	0	49818	62030	41417	58230	48341	60520	38139	23359	22051	64305	45804	36905	115605	72037	84704	135746	49174	70206	0	66610	58561	18198	14939	16413	77040	47879	81286	35583	71220	20567	0	56942	37710	Peptide	0.33333334	1.2666667	0.2
2	C12 H23 O5 N3 S1	322.14313	322.14355	0.0740941	322.14313	52020	50314	41969	47400	32469	35010	32756	52488	35966	34297	33505	44164	44637	16454	42563	17718	65864	47916	48134	36142	63565	76744	48752	45911	26922	8987	10706	38248	45934	31853	47132	46695	74606	41681	56942	39871	54451	39473	79618	45397	65993	35851	0	0	0	30372	40036	0	51315	29561	44936	50364	36679	0	50291	19820	24862	56349	29048	50358	23625	28791	50063	43708	30482	49677	44199	88490	17134	24147	31235	41997	43698	31466	15113	34139	0	31795	49807	106202	40478	20708	27723	19784	28515	26382	48244	50905	45816	132938	113536	102329	122361	47773	13890	0	47198	52007	25255	23966	22392	40861	39825	43424	26827	63315	23973	0	40801	53458	Peptide	0.41666666	1.9166666	0.25
8	C20 H19 O3 N1	322.14377	322.1446	0.12734276	322.1438	96758	108941	84588	103463	33724	34885	74431	118095	33059	91439	54629	73099	34376	15474	81586	133519	105165	52425	66843	106035	106539	149290	87445	144839	78252	29661	79921	48973	95561	99876	95007	112400	112512	95401	110113	90931	114521	81571	133213	121880	143177	51880	0	0	0	116608	124983	0	125041	107052	99988	103522	39824	0	55308	18660	35735	112782	95054	114250	115691	81251	40579	37320	35249	49987	47887	135900	32032	62007	68483	115507	96281	93038	75039	101445	0	72241	91648	74061	77245	74800	98568	71725	30290	29172	80558	57374	55426	182162	96518	139626	201451	84065	109839	0	89770	97645	29078	25015	22589	97305	77901	142333	65336	106916	30735	0	89434	49969	Phytochemical	0.15	0.95	0.05
12	C13 H23 O8 N1	322.14966	322.1501	0.24691772	322.14972	48493	2975	49118	0	32508	29273	55537	67754	20786	30557	0	0	42201	18775	40068	72862	86568	23967	21912	4069	45612	57406	7305	62629	40567	17850	38952	0	62861	57330	57445	0	73873	6139	45344	6939	0	6892	3935	43964	0	6973	1061	0	0	0	34544	0	74070	4694	4077	0	9224	0	33493	17904	8177	3442	0	0	0	24490	34399	36421	12527	39017	8503	99779	0	36164	0	61936	7658	4359	77924	5346	0	7553	40453	0	3437	1201	40188	26105	15968	8721	6351	4095	8921	0	70466	68885	77900	25924	35284	0	51397	4913	21797	11141	16041	66033	4634	0	0	64269	23884	0	44468	21518	A-Sugar	0.61538464	1.7692307	0.07692308
8	C13 H23 O8 N1	322.14966	322.15018	0.22903319	322.14972	9114	7129	6588	9113	14785	11334	6068	11900	22988	0	5609	7241	27253	7235	11918	12567	11970	19637	19442	3198	3309	9645	14786	17513	10217	0	4159	6391	11831	11183	10022	8247	12571	8996	3922	10062	16388	7638	10247	0	0	10965	939	0	0	3637	3307	0	11225	10794	8744	9785	14941	0	30661	18383	11211	12757	6502	5010	12092	0	16501	22479	7529	21429	8836	9360	0	0	0	7502	9688	11537	7048	6532	0	6468	12174	4297	5399	0	5912	2965	18377	9131	13553	8802	9703	7091	0	13875	21947	0	0	0	7648	13289	10846	15395	20279	12076	9824	6975	0	7810	15693	0	10239	22127	A-Sugar	0.61538464	1.7692307	0.07692308
4	C13 H23 O8 N1	322.14966	322.15024	0.21235584	322.14972	3415	4586	4731	3131	3527	22590	2447	3191	4382	0	0	3429	37477	7326	4323	5007	6696	32861	6593	0	0	4304	4205	5520	0	0	2530	0	4340	0	3389	0	4467	0	0	4543	6685	3382	6539	0	1357	4024	0	0	0	2652	0	0	0	5669	3325	3750	3265	0	5533	5784	3111	3611	3099	3164	3002	0	24788	5025	4654	14912	3068	4821	0	0	0	5967	0	5371	1475	3225	0	3957	3822	4708	2595	0	616	0	7103	3504	6752	3621	3021	9008	4969	2653	4760	0	0	0	4517	5362	4361	7220	6284	0	3973	0	0	3378	8304	0	3656	47761	A-Sugar	0.61538464	1.7692307	0.07692308
14	C13 H23 O8 N1	322.14966	322.1502	0.31980258	322.14975	0	0	0	0	10311	9084	0	3111	16926	0	0	1234	26942	7097	6452	3421	4808	19147	19093	2072	2711	0	3732	0	2239	0	2243	0	8092	4170	2696	0	7438	0	3136	7970	2252	5215	3008	0	0	6512	0	0	0	0	0	0	2568	0	0	3938	5662	271	35004	13114	3286	0	0	0	0	1356	15312	17147	6597	9432	9844	2050	0	0	1294	1870	3623	4555	6936	3105	0	2663	0	0	2378	1234	0	0	7993	9125	2720	0	4442	0	0	0	2537	0	0	0	0	7752	10763	10380	12761	7122	2426	0	0	0	13327	452	0	18029	A-Sugar	0.61538464	1.7692307	0.07692308
10	C13 H23 O8 N1	322.14966	322.15015	0.23519611	322.14972	8794	7943	6285	7661	12999	9665	8672	9503	20173	4870	3363	6437	27887	7113	11059	6316	7788	18818	20861	4678	5840	0	9158	5717	5034	0	3356	0	13312	8609	7192	7489	9664	5821	5069	11237	11786	7305	5022	0	0	10807	909	0	0	0	0	0	7997	9716	5606	7063	9693	0	36772	16440	8497	8835	6376	3490	0	1691	17288	20194	9410	19361	9272	4771	0	0	0	9551	9586	16022	5896	6982	0	7123	0	0	4407	2720	4525	0	24308	10566	8333	5727	9365	0	4171	0	8321	2094	2242	668	8343	10892	10399	15056	22118	12410	6049	8702	0	0	17179	0	4068	25923	A-Sugar	0.61538464	1.7692307	0.07692308
24	C22 H20 N1 Na1	322.15662	322.15698	0.7606018	322.15686	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5010	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1253	0	0	0	0	0	0	0	29410	0	0	17507	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5762	0	Phytochemical	0.0	0.90909094	0.045454547
0	C17 H23 O5 N1	322.1649	322.1656	0.10205415	322.16492	15098	12419	13983	13382	3472	0	15287	22555	4734	10608	8989	16000	3840	0	15371	5818	25786	7883	6440	11709	28188	14381	15145	15167	6753	12982	6828	7232	20607	12506	18229	20088	23062	21245	20273	24986	20065	17069	30660	12850	18132	16558	0	799	1093	8171	9003	554	28497	17106	11913	12522	6914	1101	11432	4126	4980	22217	11086	17965	10991	12705	3148	5068	11144	7606	11449	32898	11325	11033	11107	20716	22723	19782	8072	22298	680	15304	14291	9747	12576	6165	13288	9071	4213	6265	12717	7111	11367	15895	7497	13209	22477	11607	6457	1125	14479	14849	3437	2752	4564	16731	10200	14693	8243	13188	4393	838	13444	4541	Lipid	0.29411766	1.3529412	0.05882353
10	C14 H27 O5 N1 S1	322.16827	322.16846	0.14314796	322.1683	0	0	0	0	0	0	3067	0	0	0	0	1708	0	0	1562	0	0	0	0	0	0	0	2184	0	1762	0	8532	0	0	0	0	0	1383	0	1356	0	22347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2483	0	0	883	0	0	0	0	0	1322	0	0	0	5067	0	0	0	0	0	0	0	0	0	0	0	2918	0	0	1214	0	0	1056	0	Organosulfur	0.35714287	1.9285715	0.071428575
2	C16 H23 O4 N3	322.17615	322.1768	0.14790007	322.17618	36486	38120	34780	36732	10946	15314	35226	46272	12706	29637	16862	28213	9610	7455	35121	28223	50126	18737	25171	36212	38971	50062	31105	42661	31446	13912	19109	45390	46086	35165	37336	39032	52324	36819	40422	41771	41780	35603	57171	42624	44386	20818	0	0	0	25373	29274	0	43084	29144	35633	34873	14911	0	19800	5559	11520	44014	17408	21666	29111	23354	10857	14931	10056	18165	23766	66455	14485	22002	23944	38269	37690	40070	27890	35241	0	29683	36704	397286	31909	13654	24908	25524	8035	13759	37290	22309	21903	82974	124096	80899	84277	71699	23188	0	40527	42497	8767	5966	6344	36110	28291	52476	16716	43521	6985	0	38290	13737	Peptide	0.25	1.4375	0.1875
10	C16 H23 O4 N3	322.17615	322.17664	0.18870395	322.1762	19528	23631	19321	16569	5733	9201	14534	21676	3994	18339	11937	13572	5711	4371	15999	25511	17701	9287	8404	23489	19885	27023	14807	31251	18751	8747	13827	19926	20670	19024	17239	19987	22654	23400	23381	20578	25158	13280	25333	22510	22691	7859	0	0	0	21069	23330	0	27911	20927	18741	21187	6501	0	7241	2831	4385	30869	9696	15940	29354	10554	0	5593	4101	6562	8587	23839	7834	17897	13974	20239	19557	19031	20215	19046	0	16033	18509	58370	15171	10257	13362	14358	3820	3064	17661	11854	11247	49813	301486	66643	49482	26094	24483	0	22602	14420	3969	2801	2711	19308	12995	21897	0	22904	4997	0	20290	4753	Peptide	0.25	1.4375	0.1875
6	C16 H23 O4 N3	322.17615	322.1767	0.12366528	322.17618	43877	46228	39284	40304	10880	23862	22268	42709	9868	34908	22371	20168	9639	6575	27083	44393	34139	15703	21056	41557	43377	42843	23804	47528	27701	17677	22953	132563	32893	32096	34815	38542	47435	32656	38067	36189	43607	26574	44101	36727	39066	17786	0	0	0	35044	39838	0	44219	34614	45972	41747	16011	0	10332	4122	9644	49382	10334	17979	42490	23694	12235	9587	10521	13892	17016	46650	14183	30412	27955	32304	31612	30819	25772	28739	0	20952	24999	990281	22927	14959	16497	25773	8797	8747	28967	20420	18198	62919	766771	287637	76943	64925	47519	0	41243	40778	6686	5018	4646	44481	22875	42194	16357	39118	7300	0	27936	12507	Peptide	0.25	1.4375	0.1875
8	C16 H23 O4 N3	322.17615	322.1767	0.19496486	322.1762	52099	49639	44180	45055	10798	12118	18479	30114	8738	29565	34474	20395	6553	10049	19833	39807	27001	11439	16639	37433	37144	38993	22107	35149	23067	14267	19900	80708	26735	27322	25501	29669	31039	27586	32391	27799	35886	16354	35458	33836	35238	13055	0	0	0	31429	30877	0	37720	27127	40683	44301	10660	0	8536	3353	6086	34902	13739	21938	35660	18197	9559	8110	8273	9531	14738	39345	14508	23898	24869	32996	29184	28353	22056	26458	0	18032	23659	261462	20708	14783	21165	24431	6285	5382	23018	14257	12938	60327	1165968	365181	61981	141684	46976	0	47694	42709	5058	3590	4020	32458	18378	37072	7918	31343	7125	0	24248	8884	Peptide	0.25	1.4375	0.1875
16	C16 H23 O4 N3	322.17615	322.17648	-0.061843067	322.17612	4659	5494	5685	3194	1935	2208	2044	2868	2038	0	3392	2779	2492	1194	2324	6491	5890	5499	0	2309	0	6313	3982	6529	2786	1928	2812	6659	3096	3041	4790	4466	3873	3851	2545	2898	2975	2189	8278	3171	3086	1696	0	0	0	3129	4536	0	4228	2080	2972	3112	2681	0	0	0	2049	5497	1843	1825	0	1174	1717	0	1398	1871	0	5857	2662	0	1736	4149	3258	3897	6785	4949	0	1451	2771	11483	2396	3241	3890	3215	1893	1189	2907	1969	2185	0	20552	10682	0	2996	3119	0	2759	4576	1357	0	1558	4006	1791	2659	0	0	0	0	5040	0	Peptide	0.25	1.4375	0.1875
14	C16 H23 O4 N3	322.17615	322.17654	0.014538794	322.17615	8510	9206	7870	7992	1298	3283	9868	11876	0	5066	7960	6686	0	2344	9168	12136	9558	2685	3089	7301	5570	9565	7519	14784	10705	2761	10199	8077	10900	10776	9194	14079	12861	6160	6110	15901	10518	9028	11827	9688	7112	4835	0	0	0	7069	5599	0	11268	8956	10278	5372	3684	0	4983	1367	3375	14785	5625	6885	0	6060	1442	1655	3093	2002	4073	13580	0	5537	3778	6013	10645	8074	9465	7003	0	11225	14706	0	11133	8561	14708	10272	2084	0	11844	5021	4982	23230	21838	12392	15563	6225	10709	0	8417	8010	1549	2363	0	10151	7174	14824	0	11257	1290	0	12601	2708	Peptide	0.25	1.4375	0.1875
4	C16 H23 O4 N3	322.17615	322.17673	0.09668459	322.17618	29543	33584	28838	26148	10803	15050	22330	32533	11432	24505	14948	19003	10563	7275	27537	37645	41993	15361	19369	31498	34951	38618	23544	38760	25520	17572	24900	24753	31090	24561	29183	29224	34513	22797	37612	31627	34741	21950	50613	28666	33126	14333	0	0	0	26010	27013	0	29401	27752	27780	24948	13519	0	15969	6019	11326	33841	10206	14385	31590	22537	10069	12222	10619	14217	13569	50925	16213	23208	27280	25472	22687	27449	27837	23240	0	20338	29395	133065	25901	12059	17971	23748	6731	10220	32572	14131	16615	59255	158309	90440	66105	22406	30433	0	26494	31550	9234	4993	7578	33222	20767	36961	16187	29349	11254	0	26703	11900	Peptide	0.25	1.4375	0.1875
22	C18 H27 O2 N1 S1	322.18353	322.18396	0.171311	322.1836	0	0	0	0	0	0	1550	4257	0	0	0	1439	0	0	1345	0	1962	0	0	0	0	0	0	0	0	0	0	0	3178	16866	6463	5082	0	0	0	13249	0	0	1614	0	0	0	0	0	0	0	0	0	0	8112	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20295	6736	4626	0	2847	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1161	0	0	0	0	0	0	0	Organosulfur	0.11111111	1.5	0.055555556
4	C14 H27 O7 N1	322.18604	322.18677	0.29244864	322.18613	4555	4355	4138	3603	2386	5677	0	2147	2678	0	0	0	4690	1840	967	2018	5027	3988	3159	0	0	11814	2767	3813	1527	0	0	0	0	1627	0	0	1483	0	0	986	0	0	7318	0	0	0	0	0	0	0	0	0	1646	1191	4067	3157	1727	0	1953	1409	1003	2806	0	0	2114	0	3577	994	0	7744	1962	2356	0	0	0	1446	0	2248	0	0	0	0	8769	0	3356	0	0	0	4067	1689	40852	1842	822	76364	6637	0	29891	0	0	0	3879	5583	0	1505	1621	1143	0	0	0	4686	2114	0	0	6575	Lipid	0.5	1.9285715	0.071428575
18	C14 H27 O7 N1	322.18604	322.18634	0.11246916	322.18607	0	0	0	2572	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1222	702559	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1974	0	338	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2313	2013	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.5	1.9285715	0.071428575
10	C14 H27 O7 N1	322.18604	322.18658	0.26902267	322.18613	2658	0	1920	2624	1814	1605	2224	2035	879	2633	3356	0	1368	2754	2311	1447	4942	2096	1853	0	0	0	1514	1482	1404	0	2273	7474	2626	0	0	1214	5263	1745	0	1754	5633	1542	4809	0	0	1902	532	0	0	0	0	0	0	0	2264	1143	2177	0	1678	731	767	1951	0	0	0	0	1468	0	1252	2203	1154	6970	0	0	0	1824	1159	1691	1889	1322	0	853	0	0	1148	0	3024	0	2587	837	0	1372	1296	0	0	2289	0	0	0	0	1332	1818	0	1497	0	4244	0	0	32832	1848	1669	0	1321	1714	Lipid	0.5	1.9285715	0.071428575
2	C14 H27 O7 N1	322.18604	322.1867	0.20344943	322.1861	13764	8840	11555	12759	76599	176065	4314	7780	4836	3057	65287	3140	22718	74085	4258	3388	6957	12506	11417	1309	1556	3453	3136	6722	3574	411	0	280748	7203	8063	10671	7995	10716	8756	2615	7802	6390	3754	4518	1288	1576	33908	813	0	0	1533	1394	0	7974	5101	7753	7565	79677	0	4329	8421	20484	6007	750	363	4626	658	5293	4426	5855	39107	78664	5230	0	0	0	12444	8371	8271	1514	5477	0	5496	4167	1901684	2482	0	822	1260	2680	5636	6001	6269	6005	16371	484340	17980	7263	27007	3780	0	14095	14396	3830	2998	3389	4392	9449	3071	887	4313	32596	0	2569	9763	Lipid	0.5	1.9285715	0.071428575
4	C15 H23 O3 N5	322.18738	322.188	0.008343754	322.18738	0	2064	0	0	0	0	0	0	0	0	0	310	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2682	0	0	0	0	0	0	0	0	0	1128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9313	0	0	0	0	0	0	0	0	0	0	0	0	0	39933	2180	0	0	0	1271	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2	1.5333333	0.33333334
12	C18 H27 O4 N1	322.2013	322.2018	0.21894333	322.20135	48524	47010	47764	44685	20573	18412	335988	75349	11351	48166	33061	57966	13825	14092	30566	76655	45676	15702	27490	77059	78616	47015	34929	54383	31800	49265	410028	27520	53792	48496	52750	63592	67179	56183	74769	49241	61297	33387	56212	58183	40624	19982	285	0	0	40907	38948	0	69977	63793	49483	47242	17169	459	8622	6563	9245	66851	0	22401	55504	23437	11178	7240	9300	21405	21352	55485	28103	76935	65243	62646	61979	58713	50039	51162	250	58145	30415	27851	26344	11655	7718	36106	6905	9061	35266	19454	27009	90503	72412	32952	77826	26570	61702	0	45154	52879	7088	6047	7710	54199	49890	45322	20534	53635	6182	0	34281	17403	Lipid	0.22222222	1.5	0.055555556
4	C18 H27 O4 N1	322.2013	322.2019	0.14789878	322.20132	99701	108593	98234	92342	19133	51347	82436	215810	11791	112043	44946	86846	12916	15051	98984	174676	117701	24766	41529	146242	134224	119512	75805	186803	95531	48651	96073	40339	155739	133660	145503	170491	152605	137892	137328	173350	153476	84136	126230	115245	77849	35286	0	0	0	94598	89818	0	182844	183275	100483	81300	29962	223	18253	5262	18593	149123	5117	10779	154856	56003	13624	17889	15735	22163	35653	135302	38036	71112	62320	149796	146399	191066	140814	137151	0	110271	82680	63936	79101	20764	29507	78247	11404	19007	65728	33661	41925	145154	132190	64570	202262	70699	142074	0	90333	105372	11202	6314	9374	141177	88327	181673	43775	123087	9584	0	90293	14527	Lipid	0.22222222	1.5	0.055555556
6	C18 H27 O4 N1	322.2013	322.20187	0.144257	322.20132	128047	137416	134691	132882	36024	45693	106177	253349	22725	200261	75142	99928	22115	21996	128944	204351	120506	40436	68836	249669	209831	149488	98688	213434	122355	96865	110899	72513	212616	185818	221862	247571	254481	205378	251068	209504	253481	103910	166661	155092	96184	44907	0	0	0	141042	111746	0	272027	198312	140813	143046	43185	293	23441	9302	24239	215407	4720	9086	204526	74930	20425	18908	23088	36174	64348	183594	77283	187270	168466	230673	199394	224354	150260	179811	201	121096	73063	65346	73097	20529	25044	107992	18676	21184	83094	55033	67496	243236	181521	77635	260707	79976	164399	0	137267	124573	14552	10726	14665	221086	106370	208403	54529	188480	17873	0	94416	25499	Lipid	0.22222222	1.5	0.055555556
8	C18 H27 O4 N1	322.2013	322.20184	0.20250766	322.20135	109784	124170	111645	123632	44659	41417	115903	175254	21311	161945	71546	99520	27449	24403	88797	170385	100338	36017	65429	206945	182039	121794	82522	156859	109273	77576	135361	76977	149904	155648	155297	191100	182295	161976	208266	159820	188702	86660	132108	141878	69115	45691	0	0	0	100104	87708	0	204621	159669	104771	113997	41890	0	24457	10085	19441	156235	1123	9925	158816	49334	20009	23733	27999	36248	50172	136803	58023	179897	124051	174316	157288	141841	121723	158539	0	112893	68346	63766	61574	16179	13059	84562	14219	19670	68089	47293	58469	161598	164840	64827	232606	74079	127374	0	105111	114348	17099	13005	15986	157067	101449	130359	31671	150329	19602	0	74910	24301	Lipid	0.22222222	1.5	0.055555556
14	C18 H27 O4 N1	322.2013	322.20178	0.2278398	322.20135	39775	41624	41507	43435	24894	34389	61398	53695	18103	46742	30349	36625	19723	14004	24235	66260	65323	34243	31001	74111	71313	42376	29754	57280	29890	54682	72797	29387	56148	49968	42416	57627	63966	51567	63913	53499	58567	30694	59150	47707	55168	36266	0	0	277	39019	42816	0	59131	52835	37743	39957	29592	800	16853	11130	19278	60054	7844	34635	53665	22306	14334	9754	14333	35738	27870	67404	37072	63932	65419	46686	50825	47761	47951	43422	0	32667	41894	26112	35125	15592	18328	31147	19594	14796	45792	31131	26999	97875	75978	34579	74403	27411	53736	601	40958	49163	12127	11163	16349	62228	33801	51206	0	54148	21047	404	31957	18043	Lipid	0.22222222	1.5	0.055555556
10	C18 H27 O4 N1	322.2013	322.2018	0.23362538	322.20135	86058	82408	86249	72391	32574	34825	101745	157104	13006	95318	45775	58305	29596	28946	47428	119515	87827	42538	55377	108017	105927	78467	47372	123946	61861	58027	167587	51224	124830	119436	108864	156995	144986	121200	114099	148813	142835	47108	97616	74693	42876	27930	0	0	282	63981	53509	0	172341	126121	82282	80690	27398	422	18388	8435	11716	147339	0	15701	116198	25804	19721	16905	14686	31397	35358	125233	44937	112142	78778	118137	125546	154990	93621	127792	0	61225	51645	43088	47407	13071	7754	43337	9604	11298	58950	37085	42846	141401	116438	41769	158119	46721	90242	0	85750	80692	12031	11710	10284	118533	53344	63389	20363	185828	11475	0	78632	27378	Lipid	0.22222222	1.5	0.055555556
0	C17 H27 O3 N3	322.21252	322.21304	0.22052476	322.2126	0	0	0	0	0	38103	0	0	0	0	0	0	0	0	0	0	0	0	0	0	665	0	0	0	0	0	0	0	1206	0	0	0	797	0	0	0	1640	0	546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3051	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.1764706	1.5882353	0.1764706
8	C15 H31 O6 N1	322.2224	322.2229	0.17517495	322.22247	0	0	0	0	27291	4289	0	0	0	0	0	0	0	8403	0	0	0	1127	1144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1507	0	0	0	0	0	0	0	0	0	0	13868	0	0	0	769	0	0	0	0	0	0	0	0	0	4433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1093	0	0	1164	902	0	0	0	0	0	0	0	0	0	977	0	0	0	0	0	0	0	11379	0	0	0	Lipid	0.4	2.0666666	0.06666667
14	C16 H32 N3 S1 Na1	322.22873	322.22885	0.1031696	322.22876	0	0	0	0	0	0	10158	1288	0	0	0	1365	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24832	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2339	0	0	0	0	0	5473	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2628	0	0	0	0	0	0	0	Organosulfur	0.0	2.0	0.1875
22	C19 H31 O3 N1	322.23767	322.23813	0.28890854	322.23776	28387	28028	23940	30897	8717	13393	45900	136048	4111	9338	11302	144292	3075	5983	12115	319365	79809	19285	10645	9642	11306	13386	8897	19889	27396	24313	83245	8071	31420	64815	223285	23466	43240	19691	6156	20542	30041	12077	81782	7219	14392	9646	0	0	0	10789	15980	0	60279	70042	30740	25556	4891	1997	5142	2670	4140	129338	3959	16049	329389	5197	3940	3940	2981	9367	8785	67781	13556	13093	18350	81470	99627	154798	37789	32748	0	98128	37597	18220	8578	4896	4578	5485	6781	5365	51119	20436	9311	112445	22194	13595	37176	6349	11416	0	21924	33034	6501	3642	3022	80367	116524	11122	6241	32771	7421	0	37878	9908	Lipid	0.15789473	1.6315789	0.05263158
8	C19 H31 O3 N1	322.23767	322.23825	0.23707603	322.23773	31652	30438	25426	29219	5136	8826	30545	58750	1743	18617	11245	32964	2830	1915	24015	66613	30165	5503	23959	23814	19894	16862	27743	92099	41672	6954	41983	11436	37307	40040	46219	42348	38979	36519	22924	36690	38847	23368	37229	19429	2052	12207	0	0	0	18406	11280	0	51933	55168	26626	29536	10078	0	3722	535	4621	51946	0	0	58023	5946	1196	4180	4841	7538	10395	63336	0	20985	10900	54333	31740	34848	45911	35431	0	24395	36874	18705	27361	0	0	15494	1488	5581	32855	12820	14969	123760	34904	0	82588	13398	27659	0	30157	28777	3136	757	0	39847	28344	21385	0	41901	2141	0	39286	4768	Lipid	0.15789473	1.6315789	0.05263158
6	C19 H31 O3 N1	322.23767	322.23822	0.1644201	322.23773	20378	22671	20201	24057	1420	4887	27767	50041	837	17606	9117	20456	0	1599	19076	50095	34171	13716	19776	21248	20957	16547	16000	57512	31878	3011	28331	5922	31683	35429	36778	38878	42971	38504	17673	40853	38518	19974	44373	21495	6195	8967	0	0	0	17002	13804	0	55236	36658	26952	25009	4477	0	794	0	3670	41130	0	0	43973	7188	967	1134	4667	2218	10085	52322	2294	6380	5220	41147	35556	37571	39463	33287	0	20862	23757	11945	20150	713	660	14889	4562	8183	27964	8656	10277	93154	31381	4858	85348	15949	30676	0	27580	25082	883	0	0	33296	17755	23226	0	38754	0	0	29893	1597	Lipid	0.15789473	1.6315789	0.05263158
18	C19 H31 O3 N1	322.23767	322.2381	0.23916988	322.23776	5601	2973	1792	1880	0	2874	0	4524	1094	0	0	4297	0	0	0	13119	5720	0	0	0	0	1748	1234	8934	4188	0	3150	2465	0	9112	3908	6720	4687	4486	0	7750	2905	0	3111	0	2267	1633	0	0	0	0	1415	1106	9957	2890	2815	2519	0	1712	0	0	0	4167	0	1681	7356	1047	0	0	0	0	0	5706	1460	0	1765	6124	7173	19473	5346	10689	0	3249	4466	1951	0	0	0	1643	0	0	5805	2511	0	48676	8569	1971	4050	1861	0	0	4037	1796	0	0	0	3821	2233	0	0	5364	0	0	2585	0	Lipid	0.15789473	1.6315789	0.05263158
4	C19 H31 O3 N1	322.23767	322.23828	0.18694703	322.23773	12891	13680	11910	12468	0	1217	12115	31096	303	8233	4847	13863	0	0	12086	30359	22809	594	956	11774	9320	7374	8947	37080	14283	921	15452	0	26613	18602	22100	23446	18491	18028	7539	28260	20332	10806	20211	12053	2957	4290	0	0	0	5854	4283	0	30709	29982	13430	10852	1093	0	0	0	1415	20351	0	0	23648	5427	0	0	1551	603	2881	22166	0	2709	0	18977	17541	31488	22471	16667	0	13428	12715	9420	11479	0	695	7214	0	1938	11832	3285	4157	37676	13959	2176	29489	8584	13908	0	9998	14033	733	0	0	16816	9853	17270	0	19789	0	0	15522	0	Lipid	0.15789473	1.6315789	0.05263158
10	C19 H31 O3 N1	322.23767	322.2382	0.24532227	322.23776	25543	25858	22213	24015	3504	4639	38525	102309	1618	15367	10231	43722	0	1223	14507	74681	20033	1979	6979	19957	16597	13537	12975	36076	28648	7850	51582	8985	34523	63533	59826	36237	32597	22178	17213	34395	29022	19295	19378	10757	0	7724	0	0	0	10043	6040	0	62375	91304	24041	26738	6753	0	0	0	4288	66165	0	0	61641	2293	0	2240	5054	3313	7068	31681	0	15805	9477	39934	22973	40329	38710	34183	0	33245	21406	13022	16451	0	0	8567	0	4458	35443	8484	12114	193259	46708	2993	81992	11079	25369	0	24260	26626	1906	0	804	31382	31316	10809	0	39369	0	0	30014	1510	Lipid	0.15789473	1.6315789	0.05263158
12	C19 H31 O3 N1	322.23767	322.2382	0.21882385	322.23773	12337	11537	16814	13320	3565	4109	39987	41845	0	8406	4966	21905	0	2239	6818	42663	12332	5035	8970	10923	9138	5102	7296	16118	18430	9361	69484	0	23555	28787	44822	22005	21205	17142	10839	20363	19741	11575	10768	5841	0	7391	0	0	0	3325	0	0	36331	38589	13284	12973	5164	0	0	2726	3434	43080	0	0	39914	0	0	1574	3994	1730	8693	19924	0	16742	10357	25541	20003	21261	16582	19559	0	24097	13368	0	5708	0	0	5529	0	3122	38684	4870	10233	115963	38464	0	34310	6868	14979	0	12316	13442	0	1119	2175	14007	19294	5802	0	20063	0	0	14327	0	Lipid	0.15789473	1.6315789	0.05263158
14	C19 H31 O3 N1	322.23767	322.23816	0.27427602	322.23776	6060	4700	6183	6855	2682	1718	15667	18697	0	4083	2904	8813	2308	4377	5138	19907	8067	1363	3113	5420	4140	0	3023	12808	11822	7632	26480	0	8214	16925	13614	11944	15411	8661	3815	14143	8241	6741	6056	3074	0	3643	0	0	0	0	0	0	14099	14152	8186	6036	2528	0	0	0	1055	23454	0	0	0	1327	0	0	1259	2955	4535	13474	0	5906	6938	12485	11277	26985	12795	11749	0	9605	5311	0	2790	0	0	3039	0	0	20488	2865	10326	96967	21067	0	19614	0	5857	0	7272	7281	0	0	0	11021	10044	2245	0	10416	0	0	4831	0	Lipid	0.15789473	1.6315789	0.05263158
24	C19 H31 O3 N1	322.23767	322.23807	0.21565287	322.23773	19578	17075	17738	20594	23599	15802	19409	18313	10652	13001	17669	16142	13872	9885	7405	44080	34975	10585	15863	12741	16967	15467	9751	21048	14711	48074	19626	18512	21483	22514	13088	18109	22760	17673	19374	35015	20686	8122	26733	18249	19875	19659	0	0	0	15139	21598	0	21433	22668	18965	20063	12598	0	15710	6228	7011	27971	7436	27878	37492	5523	16928	19340	5174	24625	26472	25278	17546	17709	31301	16701	19572	20341	26855	23684	0	13355	17492	25305	5018	11043	8456	10424	11393	6712	82590	14286	10610	190548	39905	36882	26173	11883	20325	0	23615	22253	15215	12528	19291	23153	12937	21523	11355	37412	12834	0	19983	13216	Lipid	0.15789473	1.6315789	0.05263158
20	C19 H31 O3 N1	322.23767	322.23813	0.28571418	322.23776	3372	2783	3061	2681	1859	1993	5734	0	1758	3168	4379	4636	0	1531	3036	9552	10835	2191	0	0	2072	2599	0	2890	5494	3958	9676	3472	3323	4932	4638	5534	6809	5210	0	4920	3836	2086	8923	0	6309	1833	0	0	0	1793	4002	0	5360	2222	4105	2816	0	684	0	1131	0	5961	0	4073	5968	0	0	0	0	0	1664	10128	4116	2417	5518	4023	4588	1677	5430	4111	0	2810	4753	6949	0	0	1307	0	1669	0	9764	3302	3202	29277	11494	4103	5386	2746	2272	0	2680	2128	1299	0	0	6734	5298	2687	0	4426	3354	0	7039	0	Lipid	0.15789473	1.6315789	0.05263158
10	C18 H31 O2 N3	322.2489	322.24948	0.20037264	322.24896	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2520	0	0	0	0	0	0	0	0	0	30958	0	0	0	0	0	0	0	0	0	0	0	933	0	0	0	0	0	0	0	0	0	0	1170	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1814	0	0	0	0	23164	14525	23976	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.11111111	1.7222222	0.16666667
18	C20 H35 O2 N1	322.27405	322.27448	0.23229319	322.27414	2678	3383	2954	0	0	0	0	5064	0	0	0	1445	0	0	3712	14759	0	0	0	0	0	0	1858	41518	12379	0	1735	0	10636	5430	8635	14852	23111	17609	0	10656	24444	0	0	0	0	0	0	0	0	4661	0	0	8842	1407	2916	2999	0	0	0	0	0	29520	0	0	20336	0	0	0	0	0	0	0	0	0	0	6906	3450	1705	1236	0	0	6209	0	0	0	0	0	0	0	0	0	4391	2744	9434	2840	0	31635	0	0	0	3329	2091	0	0	0	21647	0	0	0	36465	0	0	0	0	Lipid	0.1	1.75	0.05
16	C20 H35 O2 N1	322.27405	322.2744	0.23119079	322.27414	0	5940	7439	5866	0	0	2837	18549	0	0	0	4051	0	0	32758	58823	0	0	6025	0	0	0	21344	78349	97489	0	7864	0	19449	16230	24240	15948	19399	25696	0	32037	20072	24884	0	0	0	3869	0	0	0	1832	0	0	21131	10024	9330	6614	3075	0	0	0	1112	66369	0	0	61744	0	0	0	1620	0	3857	0	0	1828	0	11454	14429	14233	4819	17448	0	10177	7627	0	6361	0	0	0	0	0	13831	16029	19303	0	9790	0	77251	0	6666	0	6960	9392	0	0	0	14314	6487	0	0	48202	0	0	10281	0	Lipid	0.1	1.75	0.05
10	C20 H35 O2 N1	322.27405	322.27448	0.1821359	322.2741	0	1248	2309	1092	0	0	0	1349	0	0	0	0	0	0	1500	1723	0	0	0	0	0	0	0	0	3301	0	2309	0	2101	0	2978	0	0	0	0	3061	0	2337	0	0	0	0	0	0	0	0	0	0	0	1094	1968	1316	0	0	0	0	0	2794	0	0	0	0	0	0	0	0	0	1261	0	0	0	0	0	2097	3911	1467	0	0	1680	0	0	0	0	0	0	0	4374	0	0	165713	0	0	3270	0	0	0	1687	0	0	0	0	0	0	0	0	0	0	0	2941	0	Lipid	0.1	1.75	0.05
14	C20 H35 O2 N1	322.27405	322.2745	0.25570625	322.27414	21579	30793	22085	23211	0	8977	9112	81540	0	0	0	5703	0	0	25970	46186	0	0	1863	0	0	0	18597	25032	62910	0	13196	0	85401	76208	215046	158223	89999	147862	0	594703	71349	24075	0	0	0	26027	0	0	0	0	0	0	76018	61483	22058	19358	9444	0	0	0	5085	61508	0	0	55548	0	0	0	8619	0	19241	3131	0	0	0	51584	65135	66452	15593	46832	0	15073	10549	0	6369	0	0	0	0	4453	13112	10992	22148	9515	4603	0	24732	0	0	0	18058	19542	0	0	0	78608	15597	0	0	49745	0	0	15822	0	Lipid	0.1	1.75	0.05
20	C20 H35 O2 N1	322.27405	322.2745	0.095333144	322.27408	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1825	10394	25900	0	0	0	2871	6543	6360	5043	0	9056	0	11510	0	0	0	0	0	0	0	0	0	0	0	0	1464	4307	0	0	0	0	0	0	0	0	0	0	2354	0	0	0	0	0	0	0	0	0	0	2833	2425	9139	0	4310	0	0	0	0	0	0	0	0	0	0	2401	0	0	0	2946	0	0	0	0	0	0	0	0	0	0	2160	0	0	0	5161	0	0	0	0	Lipid	0.1	1.75	0.05
12	C20 H35 O2 N1	322.27405	322.2745	0.21289514	322.27414	10325	12907	12329	12802	0	0	4436	23116	0	0	2046	21195	0	0	4985	8061	20858	0	0	1306	0	0	11079	6087	16529	0	11227	0	18439	44984	25340	134983	36160	133119	0	249616	34807	8735	12449	1883	0	5054	0	0	0	0	0	0	29336	32422	11414	15607	1357	0	0	0	0	3823	0	0	0	0	0	0	0	0	2946	40398	0	0	0	12631	76995	184437	146549	52178	0	20404	10895	0	5783	0	0	1187	0	0	12382	1843	2433	10010	6997	0	2234	0	1911	0	12267	10986	0	0	0	40197	15807	0	0	9547	0	0	11760	0	Lipid	0.1	1.75	0.05
12	C14 H10 O9	323.03976	323.04028	0.2804041	323.03986	9427	10768	7747	8854	33862	14615	0	5210	32652	2923	0	4745	48803	15712	2872	3624	3635	34710	35384	0	1514	0	10550	3055	1642	0	1787	0	0	0	3796	2381	6769	0	1744	1930	5437	2840	0	0	0	13152	596	0	333	0	0	522	0	9329	8084	6831	22288	0	35527	32788	14031	2364	0	0	0	0	81586	40046	12327	47255	13760	0	0	0	0	0	0	0	2293	1516	0	2931	6391	0	5911	0	0	0	35815	11507	5129	16058	14392	4120	0	1876	3906	6824	2684	0	8761	7922	25683	52629	43469	3827	4260	0	0	4796	25036	0	0	68654	Phytochemical	0.64285713	0.71428573	0.0
26	C14 H10 O9	323.03976	323.04022	0.29436478	323.03986	2557	0	2705	2239	8617	7473	0	0	9965	0	0	0	12943	7681	0	0	0	15401	13513	0	0	0	0	0	0	0	0	0	0	0	0	0	1507	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2801	3195	0	11369	7621	3857	0	0	0	0	0	18143	11083	2535	11807	2897	0	0	0	0	0	0	0	0	0	0	0	4441	0	6498	0	0	0	12134	0	4044	0	0	0	0	0	0	0	0	0	2446	0	3639	10101	8529	0	0	0	0	0	0	0	0	21810	Phytochemical	0.64285713	0.71428573	0.0
14	C14 H10 O9	323.03976	323.04022	0.22286905	323.03983	9629	8443	8614	10544	43014	20390	2441	0	44447	0	4020	7103	70887	26541	8219	5191	5033	48576	41589	0	0	10073	12093	0	2481	0	3539	0	3500	2887	2974	0	7646	2919	2287	0	4046	6980	3042	0	0	13832	0	0	480	0	0	858	0	3401	10418	13732	29043	0	32291	36338	18215	5832	0	0	0	0	77374	49759	19327	54165	20371	7000	0	0	0	2801	2447	0	4920	0	304	5544	13316	0	12017	2037	0	0	50495	17538	12566	20581	23637	3663	0	0	3238	7732	0	0	11567	4543	23431	51752	48458	9828	7851	0	0	5877	23710	360	2701	62054	Phytochemical	0.64285713	0.71428573	0.0
8	C14 H10 O9	323.03976	323.04034	0.38866362	323.0399	1423	3616	1441	1132	10883	2790	0	0	10340	0	0	0	21319	1551	0	0	0	6607	9350	0	796	2259	1139	0	0	0	0	0	0	0	0	0	0	0	1304	0	0	0	0	0	0	1434	0	0	0	0	0	0	0	0	2587	1275	6348	0	9818	12073	5655	0	0	0	0	0	28148	15224	2797	11635	0	0	0	0	0	0	0	0	0	0	0	0	837	0	1215	0	0	0	13786	0	0	3117	1734	0	0	0	0	1857	0	0	1538	1710	8705	22466	15053	0	807	0	0	0	6578	0	0	22116	Phytochemical	0.64285713	0.71428573	0.0
20	C14 H10 O9	323.03976	323.0402	0.3184369	323.03986	2174	3563	3395	1871	15478	8288	0	0	16823	0	0	0	16937	13967	2160	0	0	14749	12650	0	0	0	3178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1763	0	0	0	2069	995	0	1295	0	3069	2596	0	0	3080	3361	8234	642	12632	12421	4428	0	0	1119	0	0	26244	12972	4136	19734	3757	0	0	0	0	0	0	0	0	0	1094	1600	7241	2313	6688	0	0	0	20872	11576	3824	5610	4976	0	0	0	0	3073	0	1604	2967	0	6174	17262	23056	2096	1027	0	0	0	13009	921	1309	23859	Phytochemical	0.64285713	0.71428573	0.0
16	C14 H10 O9	323.03976	323.04025	0.37854725	323.0399	5413	4232	6354	9906	31182	19700	1305	2552	29774	0	2943	4710	56018	22443	4715	2106	3469	38236	35777	0	0	4425	7785	2458	1498	0	2258	0	0	1660	1963	3161	3874	0	3537	0	5930	6548	3363	0	0	10311	863	0	753	0	0	1931	0	1428	7600	10265	23343	395	24575	30541	14480	6060	0	0	8656	0	60379	35119	14981	43356	15963	2923	0	0	0	0	0	0	3066	1971	550	2550	15784	4223	9019	1471	0	0	41285	19399	9820	13023	14477	0	0	0	0	5857	2367	789	8367	7253	18184	36299	38001	4904	4985	0	0	0	21286	695	1676	59674	Phytochemical	0.64285713	0.71428573	0.0
18	C14 H10 O9	323.03976	323.04022	0.40380332	323.0399	5340	5520	5574	4616	21420	10699	1968	0	16039	0	0	3339	35827	18084	3628	4096	4869	26671	19838	0	0	3548	7472	1702	1682	0	2203	0	0	0	1739	0	1887	0	0	0	0	3521	1663	0	0	4815	809	473	813	0	2261	2031	1683	0	5577	5085	14036	390	18170	19279	8282	3313	0	0	1842	0	49576	19830	8962	29062	4382	0	0	0	0	0	0	0	0	0	684	1269	10611	1570	9689	2320	0	0	33094	15441	7649	12708	12751	8237	0	0	3351	5919	1846	543	5193	4712	11841	29724	29217	0	2467	0	0	4003	16422	760	2121	42486	Phytochemical	0.64285713	0.71428573	0.0
20	C15 H14 O6 S1	323.05838	323.05887	0.37134832	323.0585	5316	6052	0	5895	12709	6686	1626	0	6305	16841	5981	931	12968	1622	1348	3174	0	11862	14241	12358	6955	21014	1584	0	0	11525	1367	8270	1623	0	0	0	3078	0	12177	0	3008	1475	1766	13423	9501	2641	556	0	0	5208	3603	0	1404	0	6987	5557	6227	0	7572	6403	4352	1768	5715	3909	1878	10444	6480	5651	1988	6681	3197	1287	8272	9720	9829	1380	0	0	0	0	0	0	3330	14166	1609	4622	3912	12122	6224	4185	5052	5886	0	2939	13277	18678	3153	19319	23274	0	6813	5161	7723	8962	5481	2491	1108	3156	4395	3120	4710	0	2057	14018	Organosulfur	0.4	0.93333334	0.0
22	C14 H14 O5 N2 S1	323.0696	323.07022	0.24330431	323.0697	1534	0	0	0	0	0	4171	0	0	0	0	7751	0	0	3206	0	8223	0	0	0	0	0	1858	0	1800	0	1483	0	0	0	0	0	0	0	0	0	0	1168	9453	0	0	0	0	0	0	0	0	0	0	1712	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9823	0	0	0	0	0	0	34699	0	0	0	0	0	3172	0	0	0	0	0	0	0	0	2078	0	0	1589	0	0	0	1747	2530	0	0	0	0	3389	0	0	4475	0	0	0	0	Peptide	0.35714287	1.0	0.14285715
20	C14 H14 O5 N2 S1	323.0696	323.07	0.3112889	323.06973	0	0	0	1832	0	0	4946	0	0	0	0	0	0	0	0	3466	33641	0	0	0	0	0	0	0	0	0	5796	0	0	0	0	0	0	0	0	0	0	2640	29458	0	0	0	0	0	0	0	0	0	1931	0	0	2103	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41480	0	0	0	0	0	0	0	0	0	0	1430	0	1501	0	0	0	0	0	2192	0	0	2501	0	3095	2924	1747	2044	0	1548	0	0	0	0	1531	0	0	0	0	0	0	0	0	Peptide	0.35714287	1.0	0.14285715
8	C6 H15 O6 N6 S1 Na1	323.07443	323.07425	-0.31345275	323.0743	2147	2608	4286	0	5097	1937	0	0	5032	3312	0	1312	4111	1813	633	0	0	2992	2920	1350	2074	2135	758	0	0	603	1240	0	0	0	731	1060	1092	884	2980	0	1424	574	1215	1843	2531	1741	722	0	0	0	0	0	0	0	2767	0	4866	0	3792	4411	3872	0	1247	2620	0	3322	4474	6008	2229	2725	3177	1309	0	1674	0	0	1353	0	59682	1000	0	1362	1499	0	1246	1301	0	1220	3695	0	818	2141	4437	0	0	0	0	2465	2512	0	2255	1482	5448	6478	3757	0	1036	0	0	0	6689	0	0	6696	Organosulfur	1.0	2.5	1.0
26	C15 H14 O8	323.07614	323.0765	0.35705787	323.07626	4490	7463	7323	7875	12871	13375	1691	0	17227	4314	2021	3455	32523	9732	0	0	0	21919	18483	0	4708	6333	6225	0	0	0	0	0	0	0	2408	0	4902	0	6435	0	3933	4769	2193	3456	2677	0	0	0	0	0	0	0	2576	0	7675	3563	8343	0	21055	12314	3796	4352	0	0	0	0	26553	21255	3903	19170	6287	2523	0	3091	0	2442	0	0	0	2405	0	3442	8146	0	8433	4422	0	0	18143	9631	3631	6396	5426	1688	2522	3046	4648	4334	5761	0	6211	5779	9236	13738	19890	0	4766	0	0	3518	7035	0	3790	27559	Phytochemical	0.53333336	0.93333334	0.0
24	C15 H14 O8	323.07614	323.07657	0.36562526	323.07626	7278	5983	7027	8852	16122	12606	3081	3660	21410	5621	3821	3716	34908	13359	7019	3284	2244	26207	25551	4028	4862	8009	10457	3763	3349	1726	2421	1875	1831	2526	2638	1706	3600	1976	6548	0	4882	5560	2583	2363	3306	5049	2684	0	0	3840	0	3024	3839	2117	5418	6229	14415	0	30387	19462	8840	4151	2594	0	4378	3253	36912	20876	5245	27355	9628	2034	0	2320	2847	2550	2295	1756	0	1938	0	5209	13207	5064	11284	3310	2649	2596	28163	11967	7375	5867	9323	2933	2181	4375	4492	7063	9657	2596	7531	8872	10736	19456	22107	4570	3218	2959	4414	3231	15072	0	3017	40062	Phytochemical	0.53333336	0.93333334	0.0
22	C12 H18 O8 S1	323.07953	323.07965	-0.3094345	323.0794	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18296	4103	0	0	0	0	0	0	15658	0	0	38703	0	0	3101	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10673	0	Organosulfur	0.6666667	1.5	0.0
6	C12 H18 O8 S1	323.07953	323.08017	0.021752572	323.07953	0	0	0	0	0	0	0	0	668	0	0	457	964	0	0	0	0	0	932	0	0	0	0	0	0	0	0	19885	0	0	0	0	0	0	628	0	0	0	0	0	0	473	0	0	0	0	0	0	0	0	0	0	0	0	0	622	0	0	0	0	0	0	0	0	0	701	0	0	0	0	0	0	0	0	0	0	0	0	0	34182	0	0	0	0	642	0	0	0	832	0	0	0	0	1847	0	0	0	0	418	0	1062	0	0	0	0	0	0	0	0	0	Organosulfur	0.6666667	1.5	0.0
0	C16 H15 O2 N2 S1 Na1	323.08246	323.08325	-0.034861088	323.08246	2084	0	0	0	0	0	0	0	0	0	0	0	0	0	2403	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39487	0	0	0	0	0	0	1586	0	0	1778	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2012	0	0	0	2062	0	0	0	0	0	0	0	1292	Organosulfur	0.125	0.9375	0.125
2	C14 H14 O7 N2	323.08737	323.0881	0.33124205	323.0875	2327	2775	2855	2491	7197	0	1491	1957	7806	2303	2882	3343	15338	2051	2102	0	2216	6947	6867	1600	5587	5165	2423	2208	599	365	0	0	1965	1069	2635	1980	4308	1096	4197	828	2761	2006	2080	2456	3609	3720	0	0	0	1173	1635	0	1204	1855	2225	1993	5235	0	9559	6222	2830	1688	1729	1710	521	1179	21583	9936	4982	9555	3728	3100	755	1046	1756	2287	1489	609	0	1709	0	1562	2848	0	2336	0	959	890	5886	2270	1766	5303	5038	2941	0	1268	5906	1731	301	0	2719	3236	3730	8090	4920	2494	2150	1456	1266	3465	3907	0	1272	19635	Peptide	0.5	1.0	0.14285715
14	C19 H14 O5	323.0914	323.09198	0.37441573	323.09152	7060	8606	5752	4067	4273	2598	5324	2899	6281	12180	7732	2346	6516	2569	0	4275	3380	4665	4722	10249	8327	6529	5065	5915	3138	19004	4213	13220	3537	3603	3597	0	5186	4087	15349	3290	2867	5131	4501	4475	11433	3424	0	0	364	6553	8502	0	3170	2914	10334	4178	4829	0	2466	3440	2466	5914	0	0	0	3323	4069	4922	3258	3613	3284	5672	15338	17784	20071	3062	3727	1808	2822	3144	0	2481	7708	0	7430	5631	3525	6482	5800	2543	8019	5649	6316	6883	9302	5600	11068	5342	8013	0	6727	4685	5660	6389	3958	4145	2248	3686	0	6455	4573	0	4761	5478	Phytochemical	0.2631579	0.7368421	0.0
24	C19 H14 O5	323.0914	323.09183	0.25268093	323.0915	7569	7186	5567	6266	8915	3479	2484	1424	5652	5081	14490	1254	5974	4687	4266	0	4428	7195	10881	6346	9784	7254	2937	4035	3866	16466	2017	9023	2795	2043	1145	2947	2356	1289	11067	1958	1434	2163	3813	6946	11968	2280	0	0	0	4463	8604	0	2476	0	5365	6655	6626	0	3236	7600	4452	2294	1982	4932	0	5543	7198	3767	5622	7332	5094	2931	18362	10912	19919	1012	1626	1343	2126	2371	0	1590	5800	11871	5591	6960	3051	8463	47692	6596	6290	2855	6368	5685	3078	3661	4678	15011	9209	0	7698	6143	7812	28023	35664	1390	0	5511	4439	1286	10771	0	3528	5664	Phytochemical	0.2631579	0.7368421	0.0
6	C19 H18 O1 N2 S1	323.12125	323.12207	0.5767279	323.12146	0	0	0	611	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1692	0	0	0	0	0	0	0	0	0	0	0	885	0	0	0	0	0	0	0	43155	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1452	0	0	748	Organosulfur	0.05263158	0.94736844	0.10526316
2	C12 H22 O6 N2 S1	323.12714	323.12775	-0.007024814	323.12714	2718	1675	1699	1522	990	0	864	1823	1092	885	0	620	797	1159	1067	0	1053	1426	1519	0	320	1255	917	1014	1404	0	0	4465	2635	1566	2566	2268	3660	1069	1082	1628	2639	0	1212	0	0	0	264	0	436	524	0	410	1876	1220	1581	1956	1136	267	684	0	813	2178	0	337	531	0	853	671	0	931	1000	1420	0	427	474	1101	1465	2314	0	1517	402	1293	398	0	492	0	0	0	539	464	523	1545	1828	0	70679	49341	0	690	543	596	1821	1595	0	745	0	1640	766	283	547	2004	0	0	929	1106	Peptide	0.5	1.8333334	0.16666667
6	C12 H22 O6 N2 S1	323.12714	323.12738	-0.2722821	323.12704	0	1196	0	916	26272	3668	867	1083	0	0	903	0	956	0	565	0	0	840	881	0	0	1465	0	828	1268	0	0	0	0	0	684	0	1238	0	1724	929	2255	0	0	0	1685	584	0	0	399	0	0	427	1239	0	0	0	0	269	841	921	551	1763	0	0	973	0	0	0	633	1299	0	0	0	0	0	0	2611	1342	0	700	257	583	0	0	0	0	556	0	0	0	0	886	0	1055	0	2388	0	0	0	465	1352	0	0	1200	0	1061	0	0	0	0	0	469	1073	2072	Peptide	0.5	1.8333334	0.16666667
0	C12 H22 O6 N2 S1	323.12714	323.12762	0.1180015	323.12717	0	0	0	0	0	92461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10315	1721	0	0	0	1839	0	0	0	0	0	0	0	0	0	0	0	459	0	0	475	0	0	0	0	0	0	540	526	0	1972	0	0	0	0	0	0	0	0	0	0	553	0	0	0	0	0	0	0	524	0	0	2135	0	656	0	0	0	0	0	0	0	0	41543	55933	0	0	0	0	0	0	0	360	0	0	0	0	0	0	0	355	0	0	Peptide	0.5	1.8333334	0.16666667
12	C20 H18 O4	323.12778	323.1282	-0.041303482	323.12778	428364	484134	451751	451539	270964	263798	422873	548009	249836	380421	229640	311619	263859	127637	376665	580608	577367	421226	495849	444930	434611	762747	438208	683380	345473	130352	333481	197412	526895	443709	510973	521337	664103	540480	477084	463076	636363	390988	670310	488012	539563	319774	5262	1300	1888	415504	409832	1581	588559	467680	464900	462301	334299	1918	339007	150318	207277	650062	418665	408429	620814	327787	284889	267582	159902	338136	317881	604800	163093	318357	307810	468731	452317	397055	435284	450423	916	392744	418682	302870	384255	314971	382065	233818	179483	196991	459318	353488	375213	802859	419329	510154	972857	295737	379666	2113	494419	479373	182136	150111	163656	595542	361936	451152	284415	606141	201958	1450	418411	464728	Phytochemical	0.2	0.9	0.0
14	C20 H18 O4	323.12778	323.12827	0.17674051	323.12784	16471	18014	13839	18218	7677	6768	14556	17568	10522	12391	12058	12351	10406	6151	17917	13058	17756	8505	10995	21175	22321	15000	16151	13849	15111	29103	13674	10788	12508	13925	12912	12330	13262	9398	20841	14892	13657	15155	16310	14624	17241	11779	0	364	414	11793	16659	547	15565	15499	9404	15631	7572	263	7361	9024	9355	23293	14428	12495	0	10330	9610	6238	8305	9988	8005	16128	19417	28371	43596	12077	11640	16331	15933	17607	347	11302	16642	0	20559	14513	13881	12370	11519	6749	23602	8349	12769	26108	10968	13086	23784	5251	12654	906	17756	18703	7583	10898	7551	11328	9217	13432	0	12158	5808	396	16798	6664	Phytochemical	0.2	0.9	0.0
8	C14 H18 O5 N4	323.135	323.1355	0.023778848	323.135	7439	9459	8205	5757	5605	5812	5401	6799	4143	4928	0	5011	4167	2614	6924	10795	7493	7604	5886	4264	5030	10432	6565	12519	5910	974	4632	0	6807	6956	7151	6959	6759	4280	5069	5642	8655	7106	9619	5617	6846	3899	0	0	0	5147	3431	0	7835	7308	8618	6851	5540	0	7368	3665	5149	10435	4779	5653	6268	2682	5252	5404	1971	4681	5265	11395	0	3107	3520	6448	5928	3596	5950	5225	0	4683	8079	7180	6791	3955	5608	2956	3432	4023	9063	5821	4085	16172	0	6726	22904	3787	3451	0	9596	5806	5588	2096	3073	9875	4105	4998	0	8480	6145	0	10493	7420	Peptide	0.35714287	1.2857143	0.2857143
2	C14 H18 O5 N4	323.135	323.13565	0.19215864	323.13507	13974	14262	10641	15763	11550	0	11275	13060	11147	4749	7210	12892	13179	4818	13049	3175	20150	12698	9792	4951	9691	15899	12034	13937	4774	346	2848	3755	12679	6626	11682	9479	20146	10034	9416	10094	13944	12989	25589	7470	13604	10263	0	0	0	4751	7541	0	10949	7390	12556	14184	10931	0	15493	5924	7428	13821	5065	9209	2634	4891	13081	10397	6985	13046	11072	25957	1771	3046	3216	10362	9949	7342	3670	10409	0	10547	14099	5636	13544	3823	5610	2552	8127	8081	14946	12821	9506	36283	4699	11037	28493	7199	1051	0	11626	9858	7532	7674	6912	10209	10895	7169	6463	18636	9144	0	12410	15602	Peptide	0.35714287	1.2857143	0.2857143
6	C14 H18 O5 N4	323.135	323.13553	0.07291668	323.135	14071	11248	11426	13846	5109	4819	10843	15378	5622	7715	5780	11194	5565	2608	12025	21945	14453	7417	9390	9631	10326	19816	13349	21948	9080	964	7808	3295	13752	15109	14864	16630	16643	15585	9221	12791	14729	10391	21622	10998	17296	5484	0	0	0	11550	17805	0	16755	15637	13178	14031	6395	0	8823	2677	5042	19538	11729	21134	14968	7180	6902	4993	4033	6799	6458	23645	0	2774	3512	15396	13285	10553	9183	14360	0	9242	11068	4359	11825	9405	12602	6228	6114	3845	11624	7908	8347	27160	7451	11309	27672	7340	9685	0	12262	10198	3348	2805	4186	17047	10540	18684	0	15868	6377	0	11880	6765	Peptide	0.35714287	1.2857143	0.2857143
4	C24 H18 O1	323.14304	323.14374	0.31299996	323.14316	10394	4714	3799	4348	1731	1957	6650	11052	2293	4844	2328	3403	2667	1095	4651	11314	6887	3519	9546	5673	14088	6198	3704	5411	2685	4086	3690	0	3757	7908	4264	4551	11714	4471	14046	8730	15528	3717	21428	5238	17018	2936	0	0	0	3927	6921	0	5824	11716	3821	3421	5678	0	3217	1569	1982	10420	4505	5772	4801	4418	3188	2709	1930	2620	2187	6817	1817	2942	3289	4026	8642	10296	2101	3104	0	2753	9598	5355	3445	3195	3555	7438	1614	2491	4092	3621	7770	8570	6252	6588	9109	3726	4358	0	10194	5242	1979	1728	2165	11068	3078	17788	3845	12406	2308	0	2883	7536	Phytochemical	0.041666668	0.75	0.0
0	C12 H22 O8 N2	323.1449	323.14563	0.2076676	323.14496	3721	3222	4651	3777	3985	28634	0	6828	1586	0	0	2773	7242	4679	0	0	0	14291	7395	0	2768	2482	1668	5394	2018	0	0	0	16776	2644	10170	0	26016	34595	1658	8273	9936	858	0	0	0	9195	0	0	0	2411	0	0	7102	2668	2168	2388	6626	0	2371	0	0	9219	0	0	1992	0	11696	2004	0	6451	14592	0	0	0	0	35979	28378	6744	0	10064	0	2783	0	0	0	0	0	0	0	0	0	15788	9310	0	0	0	4756	0	0	0	3053	3470	0	0	1046	4411	0	0	0	8531	0	0	0	19546	A-Sugar	0.6666667	1.8333334	0.16666667
6	C17 H22 O6	323.14893	323.1496	0.16396593	323.14896	63087	69468	52783	132354	30524	33381	118490	80600	45420	60714	89942	101082	86200	33286	131402	75698	63337	52282	58752	128336	134808	165922	65986	88757	48787	102984	97714	92392	71304	150960	69509	127246	75001	52726	67411	80111	62612	58845	77229	100532	61763	43522	14382	10437	14458	149824	84120	11598	66549	70447	61283	66503	36630	11750	63914	92736	84564	159692	130946	68862	82645	81176	85896	81438	26902	78542	72408	169154	132112	118804	160862	52004	62364	147038	77168	151800	10979	93464	207381	38780	67079	136950	69647	78870	104378	72920	71943	70388	91540	90894	100672	55226	85937	44471	56494	14074	121204	121314	73620	49460	62351	142394	62700	161796	71848	105082	72706	10203	163728	45245	Phytochemical	0.3529412	1.2941177	0.0
10	C17 H22 O6	323.14893	323.14948	0.1780961	323.149	1088430	952246	456295	917150	606300	481900	825214	1248122	713256	872734	575504	808354	716562	362762	889174	1390774	1006158	828978	1016016	1247066	1201020	1023872	977228	1357618	806544	1282854	440330	531020	1047908	523493	961536	516260	1093274	406691	967884	535366	512013	826468	1188380	449147	1012234	653162	31198	17203	22434	998580	917228	19867	564597	1048930	976942	1017350	588810	19885	1095648	720892	474972	1279720	907134	929054	668410	583702	695320	780524	422032	714518	566444	587850	545716	1334834	1402454	424708	829640	958696	1100360	496133	16698	688930	1214706	278990	1101800	771504	980048	596504	880264	587454	1167782	517958	633708	593030	378005	834152	1293384	601860	965956	28459	969258	1111542	622716	782344	820924	1046714	762110	1132226	294384	898160	687246	16468	860438	773288	Phytochemical	0.3529412	1.2941177	0.0
8	C17 H22 O6	323.14893	323.14954	0.19342718	323.149	378844	208562	256098	200360	101360	164102	305090	417710	136518	156936	210402	150320	128166	133024	333056	459532	408394	126760	348218	223985	403722	226640	194182	504628	129938	202927	160672	203318	196712	394766	335956	390608	367962	140482	379348	392756	180585	315620	236238	315158	366314	253948	18760	10771	16416	429808	206935	12375	416992	412238	359720	370494	104949	12260	370896	263544	110675	403844	176352	191820	449238	117981	272896	134374	160962	105847	182092	435590	193137	192612	476990	154812	175258	373746	277318	431198	10456	291790	483966	237556	197637	174857	190560	126381	295958	89384	401030	89121	123373	245778	135691	172009	480932	124483	168815	17685	182159	396824	239444	295648	165209	375372	157074	476800	141989	331628	241656	10993	177488	242646	Phytochemical	0.3529412	1.2941177	0.0
12	C17 H22 O6	323.14893	323.14944	0.19356738	323.149	2367290	2752818	2529918	2616986	1617864	1240824	1992694	2597970	1744402	2305088	1595800	1427928	1492822	854870	1759504	3318958	2375680	2133172	2680128	3236356	3044530	2669578	2044802	2870422	1755968	3122566	2188130	703872	1195847	2232524	1029732	2462326	2515492	1959340	2400182	2212104	2368394	1860192	2649620	2185714	2525224	1531474	38077	18438	20414	2103766	2116496	20525	2755220	2396326	2650100	2714266	1603906	18438	2487804	1575910	1333744	2850608	895462	991236	1521934	1345274	2218226	1837874	996330	939837	1483324	2473028	1405126	3757220	3681896	1827456	1931786	2090348	2535966	2454408	13446	1706444	2475768	649939	2179722	1700402	2103802	1586928	1831004	1309440	2442792	1257490	1642090	2750780	1162230	1262806	2884286	1302994	2449476	32292	2645784	2615026	1574678	1669972	1828508	2636422	1596152	2612164	606717	2077040	1606328	18180	1890588	2200108	Phytochemical	0.3529412	1.2941177	0.0
18	C13 H23 O2 N4 S1 Na1	323.1512	323.15158	-0.06779038	323.15118	2509479	2349470	2357120	2213748	2155860	1874095	1606894	2182036	1993398	3632691	1898617	1303782	3151638	1460891	1877686	2204085	1507219	3368590	3497026	4255113	3646571	2379352	1962380	2338456	1573311	3017084	1464301	1921346	2260397	1908444	1904513	2178559	2827716	2107062	3412447	2154750	2911514	1569246	1618380	2846655	1975542	1800406	80447	25304	26123	1725288	1275455	25669	2296722	1750902	2316970	2329046	1977116	27566	3488675	2074274	1428766	2570414	1736297	1230684	2212795	1824642	2813743	2394693	1147387	2576189	1967598	1648079	2607742	4133647	3446817	1912670	1655268	1855158	1672096	2007805	19779	1398282	2047509	1309146	1687164	1221553	1598240	1744850	1933869	1598659	1966440	1695180	1967958	1579340	2499984	2768533	2603789	1306975	2241418	42435	2396869	2281131	1716845	1869021	1998331	2625756	1315693	2408495	907169	1740361	1601856	25777	1513125	2791319	Peptide	0.15384616	1.7692307	0.30769232
0	C16 H22 O5 N2	323.16016	323.16083	0.06278527	323.16016	14964	14232	14389	15031	6702	0	9577	23804	9140	14195	6582	14759	9657	5057	12128	3872	19055	14131	13665	12170	24223	19769	13761	15509	7405	6536	3532	7327	20882	10293	15592	16637	24297	17184	19561	18668	21030	10979	23733	14827	17161	17629	0	0	0	8256	9369	0	16856	13293	11231	13882	11524	322	14062	6948	7293	21800	12027	15410	9024	9833	9112	9968	15159	13876	16871	26925	6596	9508	9159	12319	24575	13047	2634	20110	326	11511	12973	7814	9813	5846	10520	8646	7425	8553	11762	10705	13598	15086	12099	14597	28570	11472	4971	0	11367	13251	5544	4755	5549	15453	8265	13436	8025	20930	9230	0	10638	11607	Lipid	0.3125	1.375	0.125
8	C16 H22 O5 N2	323.16016	323.16068	0.1262106	323.1602	540222	573008	508497	561556	127069	713744	269766	363688	139143	328529	179427	202700	136484	72735	300851	405078	274385	192012	255992	356226	301603	442303	243859	396555	267999	114593	277387	409013	349237	315559	344819	429717	444415	370028	391802	328052	481818	272406	354119	336620	324128	191394	1872	481	272	331284	285624	380	418107	307635	511967	544343	153605	710	188622	77879	112850	417079	193608	236594	346037	187258	138372	134490	96510	163779	177094	331497	117078	210996	200642	357155	343688	293923	228111	344923	0	235885	260456	236212	216105	189434	248341	196523	86782	111714	256778	181593	210144	408903	8265079	10275388	538593	294571	403021	1215	522136	544472	89563	82530	85585	410995	229498	366611	141464	320173	99774	393	256694	191207	Lipid	0.3125	1.375	0.125
18	C16 H22 O5 N2	323.16016	323.16055	0.11401801	323.1602	59685	73877	63726	56921	43763	32800	54271	70578	34036	41026	47216	47673	35524	30126	51664	76499	91030	53977	59973	69113	55166	71302	58575	76374	55224	81566	54079	68173	66801	60940	59011	77917	78502	76402	58887	78138	73163	50048	82832	61692	72736	45907	1730	959	398	48892	46419	376	85379	67856	67011	61594	47079	750	34341	28236	36739	85638	46922	58617	66639	35857	42446	36961	28366	43352	45115	93706	67684	76327	99383	58049	44949	58236	71359	69707	256	41331	70688	67541	61020	39138	50192	44171	45933	36293	77225	50895	45261	104490	102608	96533	104157	42183	66051	1371	67859	63391	32461	40515	42847	73241	49432	76955	28319	67759	27385	1013	62356	42555	Lipid	0.3125	1.375	0.125
14	C16 H22 O5 N2	323.16016	323.1606	0.06964737	323.16016	197954	209764	193875	201563	97246	119673	194256	287337	85016	144343	91561	145545	89147	53682	201716	246114	162270	158250	153647	200272	161078	279508	170666	298316	205517	48038	159336	81036	266264	251999	271582	323922	333451	245744	196998	280561	370623	151625	176655	196199	143514	144688	0	602	564	195541	141419	511	284269	236844	192115	188235	160056	686	115466	55119	81464	330535	198642	138787	258222	103277	71501	99695	63660	165663	171046	190116	39012	119182	95058	250714	226026	250369	162537	247644	290	185999	146206	94306	133794	112496	188666	102260	61354	83797	159278	155335	187041	249939	292484	331506	450131	108939	186096	1734	224517	195001	66804	63958	62804	290100	176318	290368	73307	305086	75446	500	173564	108269	Lipid	0.3125	1.375	0.125
16	C16 H22 O5 N2	323.16016	323.16058	0.0877713	323.1602	70451	74342	79695	74676	54235	51029	78041	86092	36009	56525	36070	53313	40388	25781	78042	105474	79079	70563	71097	66889	50060	110079	68565	113897	80503	21845	69124	35080	83818	76662	77779	110520	114360	88229	80013	90861	131082	59698	99024	68983	61158	53380	714	0	499	64790	55776	0	114653	72486	74580	81809	54218	728	50481	26663	39852	123068	74518	65532	87047	36794	35023	39704	26322	52977	50775	95705	20395	42683	38412	91881	75993	76589	123369	84656	343	64639	69299	52174	52152	51882	67723	41749	23923	36429	74046	66218	61820	101633	121455	128960	215195	51721	78445	804	71812	82905	31987	25068	29455	116570	55471	81257	35431	116817	37537	450	82558	65754	Lipid	0.3125	1.375	0.125
16	C21 H22 O3	323.16418	323.1646	0.05979805	323.16418	22172	20559	18161	19450	12729	8778	21722	22711	17298	14859	17481	14273	13289	9054	22292	23765	42558	7280	15837	20977	22359	18201	16381	30306	15386	29918	21275	9054	19655	21144	22606	22155	28067	16525	16646	33366	21712	23624	38538	19191	21445	14643	418	0	306	15007	25211	0	22304	27203	24175	25129	16679	0	8887	12581	12777	25255	14011	26349	28494	10267	11777	13657	10243	13995	11927	39090	25934	37395	38896	19076	17746	27964	33077	26424	0	16601	32180	8933	26290	12952	21565	15773	23738	12540	30714	12371	16220	38785	22346	18648	0	17037	14242	573	19793	22954	11968	18072	22157	26664	14817	26634	9301	21937	14873	0	28785	11742	Phytochemical	0.14285715	1.0476191	0.0
14	C21 H22 O3	323.16418	323.16458	-0.044208683	323.16415	7824	10611	8591	11009	5075	4793	12000	10537	6948	5406	4555	13295	5168	4663	11857	15605	17334	7442	6493	6703	8947	8234	9697	14361	11645	13919	11263	0	7771	14659	10287	9012	11085	6777	4987	10532	8511	9686	19501	8793	12931	8127	0	0	0	8264	7895	454	13294	13808	9587	9872	8173	0	4747	6617	8925	14439	0	15614	0	0	3787	3492	5791	4695	6652	19659	13048	11194	12690	6607	7906	12920	14675	12174	227	10085	11434	0	14119	10240	11406	8481	9023	3244	17640	4276	5667	21252	6778	10559	13168	9167	7926	0	10948	9161	6168	9461	3934	7979	7641	13214	0	12003	6355	0	11461	4411	Phytochemical	0.14285715	1.0476191	0.0
12	C14 H26 O8	323.17004	323.17047	0.16421615	323.1701	3082	0	0	0	1662	1073	0	0	0	0	0	0	0	1034	0	0	0	0	0	0	0	0	0	0	0	0	4994	0	0	0	0	1898	0	1724	0	0	0	0	1574	1963	0	880	3250	3579	1575	0	0	3939	0	0	4447	0	0	2181	0	0	1245	0	0	0	0	0	0	0	1581	0	1357	0	0	0	5924	0	0	0	0	0	1348	0	0	0	1164	0	0	0	4537	1169	0	1465	985	0	0	0	0	0	0	2812	2272	0	0	1053	14095	0	0	0	70406	0	6260	3647	0	0	Lipid	0.5714286	1.8571428	0.0
10	C14 H26 O8	323.17004	323.1708	0.26219139	323.17014	2490	0	0	0	0	939	0	0	0	2276	5728	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3102	6233	0	0	0	0	0	0	0	0	0	0	0	3279	0	0	2270	535	665	3214	7063	738	0	0	1811	0	0	811	0	0	815	0	11669	0	10812	5298	0	0	0	0	0	0	0	0	0	0	0	0	0	0	847	0	0	13679	0	0	0	0	0	0	0	0	0	0	0	0	0	2176	0	0	2666	0	0	0	0	0	0	0	103304	0	0	613	0	0	Lipid	0.5714286	1.8571428	0.0
8	C14 H26 O8	323.17004	323.17072	0.14147615	323.1701	2656	3433	0	3208	1015	900	4567	3262	1287	4138	6062	2164	0	0	3256	6232	3297	0	2226	1940	2313	3957	2512	4136	2277	909	5597	17113	5076	5219	2926	3473	2930	2919	0	2869	3951	2761	5255	3244	7790	4185	1266	0	510	4918	14327	351	2010	4293	2522	5644	0	505	1381	492	2099	4174	0	11656	12158	3413	2951	1645	0	0	893	7046	17408	0	37753	3221	2581	2511	2104	2142	571	1403	3200	29736	3502	1693	2572	1606	898	0	2477	1762	1502	8491	0	0	7342	6890	4910	0	2934	3918	2807	884	0	4739	2941	8609	15358	3240	0	398	3616	3860	Lipid	0.5714286	1.8571428	0.0
12	C15 H22 O4 N4	323.1714	323.17157	-0.14929377	323.17133	3082	0	0	0	1662	1073	0	0	0	0	0	0	0	1034	0	0	0	0	0	0	0	0	0	0	0	0	4994	0	0	0	1659	1898	0	1724	0	0	0	0	1574	1963	0	880	3250	3579	1575	0	0	3939	0	0	4447	0	0	2181	0	0	1245	0	0	0	0	0	0	0	1581	0	1357	0	0	0	5924	0	0	1026	0	0	1348	0	0	0	1164	0	0	0	4537	1169	1420	1465	985	0	0	0	0	0	0	2812	2272	0	0	1053	14095	0	0	0	70406	1756	6260	3647	1595	0	Peptide	0.26666668	1.4666667	0.26666668
2	C15 H22 O4 N4	323.1714	323.172	0.10427329	323.17142	11121	9998	9188	9216	3230	0	7751	11626	4108	5322	6824	7458	4375	1922	10818	6895	14516	6657	7618	5725	8064	12822	10650	12828	6850	1354	3079	35506	11206	6742	9368	9508	12481	9294	8100	12038	10744	8740	15498	7999	9398	7232	0	0	0	5389	5760	0	9112	9184	10283	10028	5574	0	5575	2769	3706	12943	3482	3784	7011	4133	3420	3692	4058	5207	6018	17837	1947	4551	4111	9935	9479	9058	6514	8920	0	7373	11302	57790	8642	4031	4623	4124	3384	3285	11220	6635	5616	35582	54570	55119	29969	16654	2870	0	11647	11240	3055	1482	2497	9648	6710	7690	3154	13060	3246	0	10817	4515	Peptide	0.26666668	1.4666667	0.26666668
4	C15 H22 O4 N4	323.1714	323.17194	-0.0407092	323.17136	5920	5169	4500	4704	1591	1922	5424	5611	1706	1871	3990	3829	1477	1492	5074	6981	7647	2968	3559	4021	3187	7289	5543	7791	5272	1228	4805	4519	4982	5486	4315	5337	7296	4732	4122	5024	6399	5580	10825	3686	4683	2379	0	0	0	4507	4772	0	5091	5012	4632	4453	2720	0	3056	897	1560	6618	2207	2693	5511	2544	1918	1707	1187	2538	1915	8985	2039	2148	2990	4281	4142	4535	5669	3603	0	3463	5857	9796	5750	1786	3089	2160	2073	2522	6565	3652	2727	12428	52439	36295	12143	3838	2984	0	5219	6137	1480	999	1641	6654	3268	5144	0	5310	1441	0	5578	1824	Peptide	0.26666668	1.4666667	0.26666668
6	C20 H22 O2 N2	323.1754	323.17587	0.005800173	323.1754	1938	1395	1020	1841	29677	1515	602	0	27102	0	0	0	1897	83317	0	0	0	9665	35981	0	0	0	0	0	0	0	1754	0	705	0	0	0	0	0	0	0	0	0	0	0	0	535	0	0	0	0	0	0	0	0	1513	1432	8505	0	0	5398	2277	0	0	0	0	0	0	0	979	789	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36697	0	0	0	1644	0	0	0	0	0	0	0	1832	0	39607	0	1871	0	0	0	0	0	12203	0	0	1841	Phytochemical	0.1	1.1	0.1
20	C15 H27 O2 N2 S1 Na1	323.17636	323.1769	0.20229062	323.17642	9653	9228	10150	7572	6051	5929	3606	5330	5540	16284	6797	4181	7336	2623	3464	5763	11091	8032	9043	21703	16040	9048	7228	7068	2889	10645	3332	8553	6023	9119	8367	7998	9411	13287	12554	7832	7005	4809	8927	7034	7751	5650	0	0	0	3811	4947	0	12841	4582	8665	8462	7039	0	6270	8677	4642	8562	6311	5671	8548	7472	3529	5425	3030	5976	5583	7571	13339	18073	16427	7887	7844	5131	7524	8502	0	5947	6532	6077	6244	3270	5151	0	4848	5963	5629	5900	4742	6573	5347	6700	8283	2046	5485	0	6636	7916	4266	5515	5733	10424	6994	8440	2882	4387	5587	0	3920	5643	Peptide	0.13333334	1.8	0.13333334
2	C13 H26 O7 N2	323.18127	323.18216	0.33621383	323.1814	709	0	836	1001	730	0	0	0	0	674	0	0	493	0	583	771	0	655	474	0	0	0	334	0	0	0	0	16597	0	447	0	0	527	547	520	0	645	0	749	0	0	0	0	0	0	0	0	0	675	0	1377	1086	0	0	310	285	0	0	0	0	0	0	0	0	0	665	0	918	0	0	0	693	610	577	0	0	0	0	357	0	433	0	0	0	724	328	708	462	0	1765	94474	13593	1213	2732	0	0	1299	0	0	279	0	0	450	0	0	812	579	0	470	610	Peptide	0.53846157	2.0	0.15384616
2	C22 H26 S1	323.1828	323.18304	-0.5251594	323.18262	709	0	836	1001	0	0	0	0	0	674	0	0	0	0	583	0	0	0	0	0	0	0	334	0	0	0	0	16597	0	0	0	0	527	547	520	0	645	0	749	0	0	0	0	0	0	0	0	0	0	0	1377	1086	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	918	0	0	0	693	0	0	0	0	0	0	357	0	0	0	0	0	0	0	708	462	0	1765	94474	13593	1213	2732	0	0	1299	0	0	0	0	0	450	0	0	812	0	0	470	0	Organosulfur	0.0	1.1818181	0.0
18	C18 H26 O5	323.1853	323.18573	0.16059749	323.18536	1121165	1134242	1094525	999398	830233	791930	1537221	1262766	596043	842155	664233	814148	880456	875107	912435	1556329	1511262	998091	1266015	1187619	1074915	842100	953778	1226272	835746	1279485	1536232	686594	1360132	1233116	1117575	1318189	1433653	1263418	809235	1358297	1281049	807057	1623674	706130	846904	1057504	49168	8457	7659	687268	653775	9723	1415119	1059809	1130652	1078477	851161	16320	973743	881350	652460	1530949	588313	793907	1293569	500431	954425	773630	669015	1005866	1016430	1721425	845334	1098493	1263347	943244	1009639	1227937	1620563	1233522	6666	813827	1097299	722261	790060	583960	1563643	1343179	920108	808898	1325616	929432	1025636	1444312	1152406	1123511	1269145	566788	782369	18779	1113277	1121401	693189	1142610	1341541	1512780	719231	985321	399890	1031465	704284	8421	942033	754967	Lipid	0.2777778	1.4444444	0.0
10	C18 H26 O5	323.1853	323.18582	0.17593388	323.18536	42766	41952	37580	32886	20192	16293	45510	55971	22316	21325	21938	30152	19534	18953	31974	72428	58605	21366	27109	30067	31709	44359	33909	53554	40427	26725	56290	18359	44728	48881	42199	48212	38778	30134	25336	57571	40429	35758	70212	21955	26679	29838	5738	4852	5637	38663	35190	5376	44620	43107	41026	39828	22484	4133	29125	27303	22990	66333	31293	35913	60990	17086	20474	19575	13511	22696	22204	71775	24133	24206	28173	27987	33777	51001	78495	42890	4004	32360	49055	21597	41770	31872	40797	19031	30302	23713	52683	16135	24492	75527	38154	34877	58495	24320	33121	5637	42076	40854	21063	31391	41705	47038	35700	37802	0	38708	26438	4566	46378	17960	Lipid	0.2777778	1.4444444	0.0
14	C18 H26 O5	323.1853	323.18576	0.13484369	323.18533	303548	293483	284880	300711	156083	139581	387003	335893	138166	159447	164931	275828	152503	143685	227708	406555	568326	183476	225305	218577	205593	264236	227758	313075	243734	197591	414030	152724	298277	351961	268773	388814	336883	229354	194029	354744	306807	229141	601049	152357	230726	212916	15119	5002	4675	190114	232629	6235	372244	297023	295998	270817	171189	5674	175224	179486	165158	422811	170775	268552	389963	93040	174398	153737	150797	185466	192755	610535	167133	179159	227563	208588	257779	326626	472634	339243	3665	208246	351929	193301	254190	167945	403513	281399	233053	177669	425443	184147	230727	644934	277607	255060	390565	146747	206466	8312	298639	288669	151748	276455	317321	339921	230194	298614	107412	315768	185033	5205	317884	131664	Lipid	0.2777778	1.4444444	0.0
8	C18 H26 O5	323.1853	323.18585	0.15860264	323.18536	14007	16077	8868	12512	6605	7297	16236	19278	9626	7182	8336	10523	8172	6446	14357	19747	21698	6967	11578	24922	12336	31078	16670	40170	13425	16202	17100	7601	29668	18615	12810	15533	14021	10654	22166	14203	12721	13750	27451	9138	22966	9978	3276	2504	3456	14470	16456	3111	19177	15431	9903	16352	8276	3134	11849	9499	9330	17894	11193	9752	18727	7240	6147	6050	5788	4198	8797	26048	7713	14766	9261	11801	14605	18061	14730	19430	2663	10534	18065	6517	16113	13017	15995	8442	9596	7586	21312	5961	9379	22954	0	12064	41816	9536	26872	3458	15004	15226	9613	13028	12937	19527	14071	14559	9380	14518	7376	2728	15558	7099	Lipid	0.2777778	1.4444444	0.0
12	C18 H26 O5	323.1853	323.1858	0.14672132	323.18533	147439	168360	170885	156361	51532	52918	170502	132529	58716	74202	74844	80942	45553	53560	96133	292585	228643	60708	87408	93715	78119	155739	95129	183009	101123	66525	236974	46372	134085	183076	110656	188949	124698	92875	66231	162964	135364	106347	231304	59235	101353	79272	8561	4158	4856	92340	108482	4426	199969	176563	168558	171673	63537	4278	81725	71054	61362	221440	75898	98608	243871	43038	67358	54008	54366	59023	59194	222097	40252	66669	73029	83531	110320	182486	325716	182594	3058	87261	135542	85414	103962	70934	136170	75347	83005	74792	161295	56476	71427	248554	146902	134087	188523	66819	131733	6202	175458	167080	66648	89959	111626	211948	77996	149763	51826	129661	70232	3886	120090	55252	Lipid	0.2777778	1.4444444	0.0
16	C18 H26 O5	323.1853	323.18576	0.12927862	323.18533	564104	581399	550773	538311	417338	324915	806140	615151	336493	367654	302613	468059	392199	367273	505204	839990	1148430	458107	592702	473148	484298	444258	497136	618460	493680	541950	812898	286472	612973	617193	535678	693365	716280	479755	382202	697018	628366	457027	1134750	318472	422167	477303	25950	7524	7834	329589	420195	9157	726288	576493	549667	542625	422273	10039	410714	419751	339198	809275	321429	491405	683208	209485	436611	334450	319671	454678	470100	1017263	387286	456783	530638	446092	526700	641910	963353	630836	5245	393975	658504	399503	450216	315820	963885	677072	495179	368192	814614	434187	501747	1122141	531274	518225	748832	309814	428278	13434	571554	586422	330870	573292	689304	812392	382157	519900	212930	630885	409062	6763	585858	372622	Lipid	0.2777778	1.4444444	0.0
4	C17 H26 O4 N2	323.19653	323.19717	0.15047461	323.1966	27372	26439	27555	24032	12551	10576	18030	35227	9918	22232	8960	15314	13437	6989	17573	39278	28964	19055	19806	27962	29634	39902	17713	36360	23449	18706	18514	10028	27084	23593	24954	29644	29850	20803	33631	26482	31211	17398	32531	23840	18839	11889	0	0	0	21469	22549	0	36682	27893	25378	23456	11701	0	20457	6820	6151	38434	2605	2964	34975	14230	12726	11924	4823	13343	10203	31969	12576	25021	25085	24964	21279	25000	25317	22663	0	16745	24785	22169	15702	5964	8869	15520	7906	9929	27924	10915	13977	67584	50238	28759	62936	25743	40544	0	24839	30694	9070	8047	7445	28990	14309	34046	11822	27324	10165	0	22366	14484	Lipid	0.23529412	1.5294118	0.11764706
2	C17 H26 O4 N2	323.19653	323.19717	0.15255614	323.1966	16225	16967	16783	14973	5714	19474	12793	25042	4009	20309	11916	13570	5270	9355	15553	20173	19463	7594	8945	22525	25833	21370	14111	25397	15054	10843	12632	39975	21680	15780	16354	19443	20450	15581	22318	20746	19423	13297	20984	18153	17140	7142	0	0	0	11608	13367	0	20978	17402	14736	14175	7726	0	9292	2647	4226	26176	3608	4827	17930	10397	4120	6294	4162	6873	9231	25866	10983	18157	18669	17462	16912	20668	16557	16109	0	13366	15846	10650	13071	4991	7047	12173	3297	4887	18145	6587	7659	41366	37588	27391	45530	13599	19979	0	16146	19726	3889	3084	3355	17567	11029	22441	5727	19563	4199	0	14746	4845	Lipid	0.23529412	1.5294118	0.11764706
12	C17 H26 O4 N2	323.19653	323.19702	0.15866908	323.1966	9200	9803	13289	9593	5824	5169	6171	13249	3403	8868	2699	5751	3316	2233	4988	15374	10684	4522	6012	16295	13000	14225	6838	9518	7689	9974	5008	0	13738	9645	10772	13576	13769	13776	12975	11153	12750	8338	16800	13840	13861	5043	0	0	0	10640	8804	0	16192	9148	11354	10027	6915	0	3507	2193	3207	13511	0	0	0	4880	4914	2606	2273	4774	7742	9816	0	15511	10329	10638	11176	12153	11050	11291	0	6276	8311	0	4469	3195	3824	6250	3929	3073	21119	4816	5913	25387	16743	13703	27184	7357	10707	0	10755	9844	2478	2147	2733	13527	6917	12043	0	10193	2555	0	11664	6746	Lipid	0.23529412	1.5294118	0.11764706
18	C17 H26 O4 N2	323.19653	323.19696	0.13500349	323.19656	7228	7872	13927	10354	4221	1908	10451	12108	3353	2822	4521	7904	2722	4997	13312	26001	11250	4987	5362	8153	0	11993	9963	12283	11893	0	7649	3097	12117	10477	10046	13516	12931	8876	7632	9437	12666	9034	15515	7046	4266	7182	0	0	0	9758	5059	0	14957	9782	6536	9421	5672	0	1884	1638	3887	22209	5854	7575	14916	5116	3105	1861	1618	4150	5041	13430	2782	4380	4293	11526	8446	8429	16498	10498	0	5507	7233	8173	5321	4775	7396	3394	3280	3498	7437	7226	8045	23637	19723	19382	20989	2165	11537	0	8463	9995	3203	0	0	21102	8460	9397	4270	9547	3511	0	12907	5544	Lipid	0.23529412	1.5294118	0.11764706
10	C17 H26 O4 N2	323.19653	323.19705	0.16865672	323.1966	17568	14049	16907	12729	8306	9396	7394	22350	5604	20025	8287	11300	4065	3003	12927	24172	15538	9191	12696	27242	24351	22958	12944	28383	12121	12555	12647	7443	20154	18156	15028	24000	26242	20343	26246	18934	29156	12856	17730	20103	12819	6306	0	0	0	14267	15605	0	26750	17978	15399	18566	7792	0	7464	3281	4014	26056	0	5352	23938	9007	4601	7690	4980	5899	10644	21111	10998	22936	18936	19998	18041	16022	14329	17966	0	11849	11514	7747	10325	3667	4496	10750	3169	3521	17765	8858	10176	35021	33058	16027	37988	9805	22277	0	15991	18221	6188	3194	2930	26034	11827	17043	0	22898	5734	0	14986	8641	Lipid	0.23529412	1.5294118	0.11764706
6	C17 H26 O4 N2	323.19653	323.1971	0.13182132	323.19656	29201	34572	29094	32537	15297	16590	22676	40642	13370	35468	16589	17236	15906	24516	25955	47181	25315	25495	29397	47832	43868	40876	22239	47208	29321	18646	21274	14328	34366	30922	32406	39799	43674	34537	48476	38640	47857	19175	28805	54244	19464	15591	0	0	0	29136	21469	0	45287	32089	31127	33052	19072	0	18193	5637	7917	47714	3995	3908	42977	29755	12901	10875	5504	21144	23532	39023	13896	43183	30771	33064	28220	32089	27593	30561	0	18123	21043	16963	16880	6463	14912	27996	9607	8608	28521	17680	18266	55462	50674	29850	63871	22601	35073	0	35870	29332	8226	5496	7109	39340	16712	72295	8770	37746	12853	0	22415	19709	Lipid	0.23529412	1.5294118	0.11764706
14	C17 H26 O4 N2	323.19653	323.197	0.13627645	323.19656	11473	12013	9416	12558	4193	4011	8001	14009	2011	6279	6682	5854	1724	2224	7523	28469	20057	5361	4607	13616	8865	23651	8148	44345	15766	6135	8012	0	13450	8883	11713	13178	12113	11186	12567	12863	11828	7809	21023	13880	13731	5795	0	0	0	14241	9861	0	16285	10510	13666	10576	5478	0	3006	0	2779	20398	5998	12150	0	4055	3327	2468	2835	2401	5395	18369	0	11877	10293	9567	11370	10166	13643	9036	0	11597	16590	0	9474	5707	6786	5892	3131	0	18327	6464	6731	103074	20016	17160	72663	6117	11346	0	13505	11092	1628	1328	1847	11473	6380	9565	0	26018	1354	0	16171	3409	Lipid	0.23529412	1.5294118	0.11764706
8	C17 H26 O4 N2	323.19653	323.19708	0.19812936	323.1966	25009	27507	21886	30886	18484	12851	18034	31291	12421	26392	12900	12782	18076	9951	18177	34912	22932	16422	22113	38518	34747	35370	15314	32958	25333	17612	18361	12389	26086	22534	23016	33165	34572	23716	41068	26477	39196	16893	23254	44098	16649	12199	0	0	0	25081	18156	0	35598	21614	25149	24571	13209	0	12903	2365	7522	35158	2610	2737	29674	18155	23477	10294	7815	22946	12945	32585	13379	34196	26498	24246	23705	21876	21636	26691	0	16247	20540	11575	13430	6331	8759	25519	4432	5218	23647	12633	14137	61604	41498	19597	63268	14359	24657	0	29289	26058	8666	4270	5100	29030	15555	47411	7579	28963	7361	0	18640	55653	Lipid	0.23529412	1.5294118	0.11764706
16	C17 H26 O4 N2	323.19653	323.197	0.14123514	323.1966	10973	6516	7260	10984	3277	5244	11317	10146	3081	9971	4456	6109	2065	6522	8632	16176	18838	3982	5451	11001	9738	20206	7478	16877	13354	6747	8811	6282	13165	9299	13029	17080	10899	10188	10541	13399	15855	7719	21526	9847	13169	6900	235	0	0	8698	11394	0	14898	9862	10337	8679	8709	0	5137	1317	6009	18621	7562	10179	15146	5361	2482	2043	3339	3396	5097	24880	2952	5538	10323	11962	15192	14779	15924	12254	0	5907	4178	8358	6028	5883	7266	6578	1862	4174	12854	6276	6258	39094	20689	21713	0	10975	10427	0	9977	11187	3322	1242	2601	13413	7191	11954	4754	13756	4261	0	18117	6127	Lipid	0.23529412	1.5294118	0.11764706
18	C22 H26 O2	323.20056	323.20096	0.07454571	323.2006	10177	8812	6838	9701	5554	3017	10490	9152	4791	4028	4189	7873	3489	5215	8080	13523	30046	3293	8754	4525	3103	7389	8431	7897	9043	6116	17095	3647	8897	11705	6713	9118	8827	12453	0	9733	8364	10563	27303	3350	8519	5658	475	0	0	3471	4287	0	8539	9135	9447	11039	8367	0	7327	10418	8946	12647	6013	12496	9130	2886	3057	5467	6325	5695	3720	33266	4733	8247	10850	1602	5755	10069	18942	9297	0	7083	15926	6199	16876	5699	9373	7774	11089	10035	16340	6905	6609	30540	8158	5785	4068	3063	6021	0	8239	7598	6203	16615	13645	7614	5335	8604	3225	3359	5748	0	13015	2702	Phytochemical	0.09090909	1.1818181	0.0
28	C22 H26 O2	323.20056	323.20102	0.24014951	323.20062	9133	11392	7675	8992	11442	3925	9161	14147	10059	4947	8853	6310	6331	7776	6831	12210	12227	5690	14160	4849	6352	9027	5414	10407	12116	20954	9107	11461	11746	13967	11199	13172	14980	8228	7037	16591	11167	7266	13254	8222	5554	8876	0	0	0	6844	3664	0	10964	11899	10375	7960	8899	0	11366	9958	6557	11901	8015	5271	9987	4358	4713	6908	6569	10803	11760	14634	18084	8822	11852	6292	7663	11415	8001	11542	0	7141	12526	13860	5787	6429	7848	8448	17926	7431	17234	6195	8570	18061	9061	8325	12790	16159	5558	0	8126	8593	7481	17476	22969	15899	7380	8617	5074	11650	15760	0	9274	5479	Phytochemical	0.09090909	1.1818181	0.0
20	C22 H26 O2	323.20056	323.201	0.17139006	323.20062	27158	26272	25524	23097	23146	6404	29449	29150	13959	10822	21263	21636	13403	17466	28272	30248	60983	12940	21485	17181	18979	13263	17907	28421	25534	29665	31000	12310	21408	25749	25483	22411	24071	22929	14916	30423	24586	21083	62040	13858	18914	15370	647	0	0	14690	19754	0	25864	23121	22066	26656	19060	0	17031	17242	19903	35634	12492	31397	27092	6000	14244	14633	17207	12539	15503	75028	27969	30555	36889	16251	22497	26974	54992	26723	0	18632	40416	21258	31136	10689	19572	10476	27451	22908	40591	20201	18085	61359	29902	19252	31892	14625	16949	0	22662	20890	20787	28484	32277	32231	20035	24210	11063	23019	21788	0	32924	9552	Phytochemical	0.09090909	1.1818181	0.0
22	C22 H26 O2	323.20056	323.201	0.18768708	323.20062	50623	45231	45350	41939	48103	20132	51625	54309	35089	34223	39790	49882	22001	27061	48075	82123	108899	26982	40992	34968	38137	36009	38918	53807	44804	88060	60044	30023	58064	56372	49010	61846	56668	40907	34323	60831	51088	49654	108133	33935	52045	45781	0	0	0	30461	44572	0	58249	54761	43726	52706	42757	0	31570	39212	36465	63834	27050	47111	57554	18078	32627	23718	30100	35622	37929	110885	63908	69247	90148	36285	40859	52063	78279	60180	0	41797	63014	33297	43357	29740	39628	25674	45469	37131	73494	37312	35717	95124	33739	47186	49934	30920	39732	0	45719	47281	36886	49251	50128	74000	48001	43562	22922	54614	38812	0	55832	26749	Phytochemical	0.09090909	1.1818181	0.0
14	C15 H30 O7	323.20642	323.20685	0.14637104	323.20648	28522	33260	31282	28551	2969	1724	0	25918	0	34681	8102	1643	3093	1758	0	42256	0	2512	0	33412	1729	0	5453	10641	0	0	0	0	5936	5420	49121	258796	7103	21407	5795	9929	18100	0	1979	55225	0	3169	8119	2783	2059	29300	61690	2003	114525	21169	25126	29768	1359	4028	0	0	2886	33205	0	0	23754	4533	4195	132481	1680	0	0	4272	0	89644	7757	30264	43652	7926	10401	57089	1845	1941	0	0	1183	1247	0	1355	0	0	0	1756	2288	6611	69259	3642	0	0	11868	2002	36007	27234	1089	0	0	0	15845	1415393	46010	6293	0	2445	0	1612	Lipid	0.46666667	2.0	0.0
16	C15 H30 O7	323.20642	323.20688	0.14532098	323.20648	10105	9364	11620	8162	8619	10353	1731	0	3200	4436	4731	2065	25936	61780	2986	0	9230	2957	1845	0	0	0	0	0	1666	2338	4458	6890	1469	0	2460	4200	0	0	2309	0	0	0	10083	1895	5661	18862	24851	6099	3454	1321	3911	6461	5117	0	8203	12088	8565	18182	5280	1292	17204	0	5916	3724	0	2071	15066	10926	71081	324781	571454	13356	0	2783	4080	0	2947	1662	2309	1749	4118	1475	0	14770	1260	17156	0	3091	6262	12622	0	10244	6476	0	20477	2730	0	2703	1693	5842	11276	10744	9221	2248	4179	1615	1329	4213	28263	0	5128	5634	2295	4082	Lipid	0.46666667	2.0	0.0
22	C19 H30 O4	323.22168	323.2221	0.18090345	323.22174	234171	230230	226497	233100	180619	177686	1162651	227747	97282	154834	151044	102787	154001	454317	133950	263074	283886	153553	179155	228695	143545	132901	99738	136250	143291	280957	1176995	271536	205222	188021	150658	213732	202327	176339	123123	227794	187939	137851	301608	165611	155804	250761	25592	3893	2772	173895	133740	0	255041	194085	228028	212811	153212	20949	131598	188812	218235	274433	95399	147511	305266	77700	253879	102650	385159	288913	307658	308355	103489	215283	169627	139744	130460	183814	232429	197898	2898	81867	142881	356129	91575	209691	616490	617306	232365	478255	241177	217345	185052	327937	721200	1013897	190292	132206	202766	11135	227371	264387	195224	221083	357403	244337	85760	226176	146868	150135	272151	3556	168079	172885	Lipid	0.21052632	1.5789474	0.0
20	C19 H30 O4	323.22168	323.2221	0.21055242	323.22174	93132	99741	92124	95848	70046	52405	356820	97243	31325	36933	52565	42033	41796	122515	61880	118878	153659	45234	68467	64983	40602	47905	36039	53977	58050	116483	379758	117496	88950	86687	56807	101420	78711	69406	30578	92977	70100	48040	136093	54179	51072	76658	8615	1513	1067	65329	48686	1083	113462	73010	103415	96877	54493	10195	45896	71319	109217	115761	28556	55280	99373	19286	68601	35180	216539	71421	94438	130403	33039	75327	52369	69646	61010	87000	142452	73374	1087	39299	68056	161966	43636	65424	370290	376224	111714	354484	110879	76191	58841	180821	312655	443450	77108	44267	56319	4364	96957	94982	84261	108007	286578	102811	36870	92231	45536	70245	182840	734	69683	52489	Lipid	0.21052632	1.5789474	0.0
18	C19 H30 O4	323.22168	323.2221	0.1595978	323.22174	33246	31345	27038	29492	15116	16938	90912	38362	7851	7943	11012	17522	10294	29121	16244	46517	58302	8843	17647	18114	9250	7411	14206	26759	27311	23289	85021	24230	25158	32501	21486	41381	23767	30541	7172	41168	24468	19156	67663	23248	13223	32794	2242	0	0	25290	9717	361	43118	27869	37114	30178	16214	1047	12612	19762	26778	38101	3635	14489	37801	2238	25498	10451	45709	17384	28966	58646	4791	18606	10492	26477	16504	33551	57088	29842	289	13884	22942	36414	15020	11978	93232	81440	43944	113502	43778	32977	22371	72328	78551	125218	20532	7326	21286	851	36211	33486	27095	46744	110442	27543	19365	30221	5283	23692	42508	0	27325	7298	Lipid	0.21052632	1.5789474	0.0
8	C18 H30 O3 N2	323.2329	323.2334	0.18430705	323.23297	1813	1586	1738	1736	0	0	835	3350	0	0	0	1030	0	0	785	4929	1356	0	825	1359	0	1288	1316	3362	2145	984	872	0	3075	1999	1386	2006	1935	2026	1604	2413	2300	756	1257	1143	0	0	0	0	0	0	0	0	3513	966	2583	2117	0	0	0	0	0	5493	0	0	0	0	0	0	0	0	0	2418	0	2470	0	1372	3701	2904	1964	2506	0	0	2380	0	0	0	0	0	0	0	8631	0	1042	30872	0	0	5433	0	1833	0	1165	1134	0	0	0	3040	0	0	0	1993	0	0	2328	0	Lipid	0.16666667	1.6666666	0.11111111
20	C18 H30 O3 N2	323.2329	323.23337	0.21850735	323.233	0	0	0	0	0	0	0	0	0	2305	0	0	0	0	0	0	8295	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1721	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20050	0	0	0	1773	0	0	6161	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14028	2208	0	3313	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.16666667	1.6666666	0.11111111
24	C23 H30 O1	323.23694	323.23734	0.2461923	323.23703	7051	5094	5158	6189	5914	2460	4212	5501	6147	0	4735	4051	2949	4364	3927	8679	23772	6464	9184	1365	2793	2225	2206	4052	3029	10700	6389	4127	5860	8136	4323	4990	6523	4086	2263	9815	2927	4273	21292	2482	6209	3678	0	0	0	3122	4249	0	5776	9333	5595	5560	6179	0	4097	7275	5137	7323	1652	5840	9036	886	3017	3853	4946	0	4472	19374	5163	4043	7821	1290	1711	9115	14132	8297	0	2990	11693	5583	4323	3048	3566	3036	9335	7060	17919	4380	7294	25868	6747	2473	5310	2359	1610	0	4357	4641	5938	9988	12178	8495	3906	4126	0	5409	8844	0	9713	1594	Phytochemical	0.04347826	1.3043479	0.0
26	C23 H30 O1	323.23694	323.23737	0.27094564	323.23703	7366	6838	8918	7436	7705	3474	6267	6032	7431	4006	10452	5626	0	5843	0	11011	17023	4893	14614	0	0	7272	5690	9440	5854	19887	8556	8476	6680	12967	9417	10141	9378	3407	2355	7441	5443	6526	17458	5815	6894	0	0	0	0	0	0	0	10821	10401	7032	5804	5148	0	7554	11066	7197	8968	4787	5545	8636	3164	2828	5453	4814	4902	9757	22347	12196	6574	16237	2556	4963	12482	11530	10310	0	2901	7766	8671	6259	4992	5523	5662	12716	11212	21148	7770	6641	26333	4528	2646	6602	4242	0	0	6778	8293	8518	20518	15960	10177	5741	8722	0	6289	15165	0	9784	2491	Phytochemical	0.04347826	1.3043479	0.0
18	C16 H34 O6	323.24283	323.2434	0.11450194	323.24286	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4265	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16863	23789	0	0	0	0	0	0	0	0	0	295	0	0	0	0	0	0	0	0	0	0	1793	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.375	2.125	0.0
24	C20 H34 O3	323.25806	323.25848	0.22351734	323.25815	46318	45712	43873	46651	14235	20236	954350	35932	3132	16250	41132	15128	9802	246016	21230	52381	69683	5099	15154	16163	12741	16103	15992	21027	23197	113345	910343	83511	23689	32247	17786	23637	19598	15666	8532	29952	17122	24282	76106	6782	46903	23280	9550	0	0	17519	31336	0	24134	40266	47238	50963	13225	4644	6975	27286	30619	44306	11301	49749	82779	15997	79482	3896	177539	27971	55360	60497	24927	22489	52245	14545	13138	26908	51486	34073	0	12531	32419	96335	17984	51874	193220	255374	9234	20031	94254	21027	22092	151756	78213	62505	36195	18917	21679	3528	44322	48355	38264	8561	19060	30962	12143	43528	23106	27326	16771	2080	29786	22040	Lipid	0.15	1.7	0.0
22	C20 H34 O3	323.25806	323.25848	0.2603854	323.25815	7747	6121	6047	6192	2864	1938	133080	5541	0	0	3213	1292	0	25181	1678	9991	14428	0	0	1792	0	1674	3048	4620	4957	19514	134247	8910	4198	5678	3179	0	1534	4432	0	5292	2231	3765	12350	0	5352	1434	0	0	493	2175	3658	0	2780	4144	7367	5366	0	451	0	0	3610	9138	0	5172	11258	0	8436	0	17482	3094	6870	9360	2937	2299	4621	3553	3450	6591	12363	3938	296	948	7245	28770	2779	4983	47456	62476	0	1512	26330	1954	2672	56329	20909	9796	7212	0	1748	0	7019	8665	3714	1245	1471	2282	1583	2633	1840	4299	0	0	5283	0	Lipid	0.15	1.7	0.0
20	C20 H34 O3	323.25806	323.25836	0.26028287	323.25815	0	0	0	0	0	0	20723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20042	0	0	0	0	0	0	0	0	0	0	0	3064	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1745	0	0	1477	0	0	0	0	0	1324	1471	0	0	0	2079	1994	0	0	3037	0	0	0	5856	0	0	11841	10081	11428	4911	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.15	1.7	0.0
6	C19 H34 O2 N2	323.26932	323.2698	0.2916081	323.2694	1726	1347	765	1731	0	0	736	14959	0	0	0	4079	0	0	2219	23851	0	0	0	0	0	0	0	11894	3777	0	1048	0	1533	5353	5898	675	0	0	0	0	0	1717	0	0	0	475	0	0	0	0	0	0	7155	10311	949	875	0	0	0	0	0	9927	0	0	16542	0	0	0	0	0	0	0	0	0	0	4872	0	0	807	0	0	3969	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1333	0	0	0	0	0	3365	0	0	13292	0	0	5525	0	Lipid	0.10526316	1.7894737	0.10526316
26	C21 H38 O2	323.29446	323.29483	0.21898665	323.29453	7574	5310	7365	7279	0	3997	169790	0	0	0	23620	0	0	122152	0	0	0	0	0	0	0	1677	0	0	0	35146	177989	38017	0	0	0	0	0	0	1350	0	0	4429	4713	0	9157	0	0	0	0	0	6216	0	0	0	4472	5511	0	0	0	14565	8656	0	2354	10058	15589	4952	14424	0	188291	0	7853	2328	22444	5112	3733	0	0	0	0	0	0	0	2043	34708	3127	17123	15170	31410	0	0	2207	0	0	0	5893	3035	0	8272	0	0	6592	6818	25837	0	0	0	0	11935	7959	1600	0	0	0	3685	Lipid	0.0952381	1.8095238	0.0
24	C21 H38 O2	323.29446	323.29437	0.38656947	323.2946	0	0	0	0	0	0	19474	0	0	0	0	0	0	6957	0	0	0	0	0	0	0	0	0	0	0	0	21918	0	0	0	0	0	0	0	0	0	0	0	0	0	1781	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2961	0	0	0	0	7393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1895	1417	3537	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2093	0	0	0	0	0	0	0	0	0	0	1298	Lipid	0.0952381	1.8095238	0.0
6	C20 H38 O1 N2	323.3057	323.30624	0.18095246	323.30576	0	0	0	0	0	0	0	0	0	0	0	827	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1848	0	6898	0	34716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1394	7161	0	0	0	854	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	927	0	0	0	0	0	0	0	Lipid	0.05	1.9	0.1
16	C14 H13 O6 N1 S1	324.05365	324.05414	0.35420617	324.05374	4786	3656	2754	6000	5630	1947	0	0	2983	12072	4281	0	7391	2580	0	4350	2336	5498	6626	2583	4854	24015	0	3990	1374	2487	1756	3350	0	0	1298	0	2886	0	10409	1820	3357	0	3443	11756	20934	2354	0	0	0	3118	3560	0	1975	0	3846	3439	2704	0	3307	2815	1705	3692	3122	5890	0	8890	3645	4617	1108	3975	2062	4380	3482	4558	7274	0	0	0	0	1420	0	1012	5215	14537	1541	3909	3283	5045	3367	2572	4143	2930	2162	0	8738	15918	0	17039	26945	0	5430	3357	2815	2465	3209	0	0	4231	0	0	4328	0	0	9439	Organosulfur	0.42857143	0.9285714	0.071428575
14	C14 H13 O6 N1 S1	324.05365	324.05417	0.38994002	324.05377	6369	4451	4347	5678	9483	4375	0	0	3688	15022	9577	1488	8011	2686	2804	0	2513	11260	6444	3197	8081	22469	0	0	3808	5907	2112	0	0	0	0	0	3282	0	12642	0	4066	1598	3648	15066	19941	3575	0	0	0	8114	6214	0	0	0	5589	4506	3900	0	5978	5250	2003	5444	0	8422	0	10297	6910	4545	903	6312	2910	4272	0	10303	13195	1069	0	0	1655	0	0	0	2920	0	2513	4389	4443	6531	6144	0	5581	3619	4498	12126	12736	17676	7463	29861	33231	0	6369	4932	3722	4483	4724	1958	1541	3863	0	3518	3133	0	1256	10669	Organosulfur	0.42857143	0.9285714	0.071428575
2	C14 H10 O5 N3 Na1	324.05908	324.05984	0.42206383	324.05923	5705	6319	7623	7038	1017	61917	0	10181	0	0	0	883	0	2745	0	1924	502	2979	3473	0	387	0	0	5945	4907	0	0	0	58738	32327	8841	8999	7674	6594	406	7434	4952	0	0	305	0	32892	0	0	0	476	0	0	31566	1703	6600	7675	1227	0	497	0	0	13722	0	0	2003	0	715	719	0	903	2849	0	0	0	0	27582	104564	8794	0	3662	0	17704	0	0	0	0	0	0	0	405	0	5156	7076	0	0	0	0	0	0	0	4885	4595	0	0	0	2341	1502	544	0	3182	0	0	0	0	Unclassified	0.35714287	0.71428573	0.21428572
6	C13 H13 O7 N3	324.0826	324.08328	0.36007452	324.08273	2707	4347	3423	4092	6431	1665	890	1948	6449	1998	1991	2339	10761	1816	610	2575	3242	7814	8223	1087	2957	2886	3162	2224	0	0	743	0	1142	953	1742	1522	2776	0	3275	1014	2358	1728	4501	0	3467	2785	0	0	0	0	1744	0	3687	1505	3090	5461	3754	0	8810	5526	2885	2626	1304	3267	2215	1781	12790	6822	1997	6305	3482	4036	0	0	0	1196	1564	580	1431	859	0	663	2723	0	1233	850	985	0	6678	2454	2794	5499	4129	8750	0	1460	6874	2837	2260	0	3911	2752	3620	7250	4433	3431	1770	2216	0	4802	4894	0	1370	20912	Peptide	0.53846157	1.0	0.23076923
12	C18 H13 O5 N1	324.08664	324.08725	0.38321468	324.08676	1486	0	0	0	1504	1225	0	0	2333	3634	5302	0	0	858	0	0	2326	2481	1421	3377	3871	0	0	3362	0	16085	0	0	0	0	0	0	2783	0	4099	0	0	0	1731	4400	0	1845	0	0	0	2943	4790	0	0	0	1585	0	2912	0	1712	924	739	0	0	0	0	0	2655	1879	1580	2339	2553	0	0	16319	31016	0	0	0	0	998	0	0	2456	0	1350	2093	0	2141	1981	0	1705	1924	1756	0	0	0	2378	2862	1986	0	0	0	1975	1509	1490	0	0	0	0	1463	837	0	0	1618	Phytochemical	0.2777778	0.7222222	0.055555556
14	C18 H13 O5 N1	324.08664	324.0872	0.32051244	324.08676	1708	0	0	2227	1513	0	0	0	1847	4098	0	0	2525	0	0	0	0	1704	3626	3921	8202	0	1338	0	0	18291	0	0	0	0	0	0	1827	0	7831	0	1539	1463	3089	5073	11398	1790	0	0	0	1812	3935	0	0	0	1447	0	0	0	2151	967	1930	0	0	0	0	2873	1729	2319	1040	1893	0	1831	19464	17883	27285	0	0	0	0	1071	0	0	4159	0	1497	3084	0	2608	2648	0	1938	1764	1170	0	4209	0	0	6283	6373	0	2891	0	1305	1630	1533	0	0	0	0	0	0	0	1220	2438	Phytochemical	0.2777778	0.7222222	0.055555556
20	C18 H13 O5 N1	324.08664	324.0871	0.29560867	324.08673	3875	2928	3851	3629	3734	1412	1632	0	4705	6661	7135	0	4656	1929	0	3060	3680	2580	3088	0	7413	9228	1765	4328	1652	17603	1235	5608	0	2068	0	0	2749	0	7855	0	3051	1125	2469	6310	13866	2478	497	0	0	5264	10626	0	2254	1561	2865	4540	2363	322	1890	1254	2367	4237	0	4375	4104	5997	4912	4207	1114	4602	2416	2529	8475	7078	26157	0	0	0	1909	2175	0	1222	3439	11374	2754	5803	1518	0	3315	2095	4580	3118	3487	8460	2980	4642	3322	17254	12422	0	2417	2460	2629	5512	4524	2191	0	3073	3732	0	1324	0	4703	2293	Phytochemical	0.2777778	0.7222222	0.055555556
18	C18 H13 O5 N1	324.08664	324.08713	0.33886746	324.08676	5805	4079	5552	3971	3180	2198	1925	1971	2539	9461	13702	1790	3301	3635	0	2083	2401	3287	4590	5534	5552	8594	2508	3240	0	24630	2768	11814	0	1395	1841	0	3840	0	6758	0	2912	2641	4160	8666	25196	2969	311	0	0	3961	11713	385	2750	2203	6969	3808	4463	0	2841	1904	1828	1871	0	5174	2555	6307	5435	0	2768	5180	3898	3144	22643	19590	43908	1220	1357	0	0	0	0	0	4512	15116	3654	5094	1807	8272	4959	2648	4453	2599	1992	9855	3512	3297	3803	16019	15437	0	4344	1758	2402	3398	3275	2558	0	1984	2794	3692	1750	0	3664	5758	Phytochemical	0.2777778	0.7222222	0.055555556
10	C18 H13 O5 N1	324.08664	324.08734	0.3632363	324.08676	0	0	0	1427	0	0	0	0	1328	2452	2654	0	0	1912	0	0	0	1340	2258	1557	4348	0	0	0	0	10982	0	0	0	0	0	0	0	0	2298	0	0	678	0	3328	4098	0	0	0	0	1903	3109	0	0	0	0	0	669	0	1103	1210	0	0	0	0	0	0	0	0	0	1208	0	0	14152	15039	21631	0	0	0	0	0	0	0	0	0	0	965	0	1501	2047	0	1059	1028	886	0	0	0	0	2471	2736	0	1236	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.2777778	0.7222222	0.055555556
16	C18 H13 O5 N1	324.08664	324.0871	0.34256163	324.08676	3275	3406	1720	4101	2179	0	1584	1959	3167	7314	8037	1510	0	1667	0	0	4128	2562	0	4586	3816	5085	0	3198	2330	23998	1010	7361	0	1247	0	0	2193	0	5640	0	0	0	3361	9362	12500	2562	264	0	0	6280	9441	0	2307	1629	4205	6677	2090	0	0	2809	1292	3914	0	3116	0	1706	3852	2201	3253	0	0	2887	18650	18543	37225	0	0	0	0	1455	0	0	6451	8678	1285	4018	1064	5995	2184	2192	5207	1976	3329	0	3616	2548	0	10656	11319	0	2885	2709	0	3418	3748	3066	1098	0	0	0	0	0	1542	3974	Phytochemical	0.2777778	0.7222222	0.055555556
8	C6 H18 O5 N7 S1 Na1	324.10605	324.10654	-0.20558794	324.106	1799	911	0	0	1469	1429	1373	983	1200	0	0	1109	0	0	728	0	1054	835	1299	0	0	0	1062	1571	1041	0	997	0	1116	1320	0	1514	0	1151	0	0	1036	1115	1144	0	0	0	0	0	0	0	0	0	2503	0	0	0	1363	0	1716	1533	1322	0	1572	0	0	0	1208	1859	0	1324	1852	1461	0	0	0	1054	844	0	30476	1020	0	995	906	0	0	0	663	0	1272	0	887	0	1454	0	0	0	0	0	0	0	1047	0	0	1950	0	1035	0	0	0	1262	0	0	1262	0	Organosulfur	0.8333333	3.0	1.1666666
12	C14 H17 O6 N3	324.11902	324.11948	0.07025849	324.11905	18130	10161	19324	12795	12607	10011	16353	15907	10240	9929	7756	14159	12858	5755	16504	19516	21540	15183	18504	12514	8996	27076	18424	18529	14716	2453	6769	9736	16853	12369	12402	12361	19398	19745	12414	12241	15878	14562	26123	11392	23179	11339	0	0	0	10733	10407	0	19214	11500	15839	17053	13652	0	19613	7886	8997	22789	17508	13268	19015	9055	14896	14084	7655	15972	12805	18803	0	7548	7075	15692	14800	13323	15059	12822	0	11463	16436	0	13656	7080	11678	6376	10254	7637	21907	14196	13316	39397	39958	36333	36515	13953	10642	0	17178	14131	8408	8769	8934	15022	12564	11249	0	23079	9602	0	15903	18587	Peptide	0.42857143	1.2142857	0.21428572
10	C14 H17 O6 N3	324.11902	324.11954	0.19133557	324.11908	35671	275036	265634	258641	20154	90358	25825	418195	23986	557149	398501	178814	310558	143242	32086	435947	214768	37152	168338	558727	623330	516479	228113	274960	229850	142321	165980	48087	203872	332407	30975	352765	43894	334427	631814	204643	266521	191173	50245	197634	832238	185048	10218	2595	0	146869	148559	4110	240613	30641	289410	316283	25178	3165	34768	59947	190860	202353	210042	342493	451349	312256	24246	293924	20332	260862	114399	258588	497995	710195	187841	163022	314144	171993	32306	326365	0	111973	390431	164828	27741	179249	180188	195561	317551	155034	259691	133059	25456	284041	211555	373232	540259	39223	436792	6162	40313	35963	223441	60770	269333	46363	30966	410755	97636	369167	67452	3030	36012	34948	Peptide	0.42857143	1.2142857	0.21428572
12	C19 H17 O4 N1	324.12305	324.12363	0.3407311	324.12314	3288	3199	5850	3459	3597	2590	0	2323	3279	13620	15114	1206	8500	2364	1693	1495	2960	2668	4178	14690	16502	6341	2842	0	1176	43546	0	12190	1347	0	2278	1733	1861	0	7600	1254	0	1965	1673	9728	11327	1832	0	0	0	8363	10484	0	1687	1788	1912	4310	3725	0	4396	7922	2574	0	0	0	0	4042	2082	4145	1166	4483	1996	0	27641	40529	59923	1250	0	0	0	1926	0	0	6271	0	3740	2583	0	7636	4953	2277	7053	2334	2763	8227	3363	0	2266	5159	9471	0	2718	4410	3487	12118	8429	1699	0	0	0	2683	3467	0	1475	2543	Phytochemical	0.21052632	0.8947368	0.05263158
22	C19 H17 O4 N1	324.12305	324.12357	0.25349033	324.1231	0	3625	2052	1958	0	2214	0	2348	2374	7152	10725	0	0	0	0	0	2462	0	0	3628	4376	2179	1565	2061	1384	17920	0	11272	0	0	0	0	0	1273	4080	0	0	0	0	9686	14007	1838	0	0	0	5349	8967	0	1360	1254	1455	2158	1618	0	0	1188	0	0	1210	2861	2898	3221	0	0	0	1726	2020	0	21470	14336	24814	0	1125	1126	0	0	0	0	3154	6425	0	4407	0	6387	0	1147	2825	964	1496	2107	2706	0	3140	6244	5759	0	3223	2612	1480	0	2058	1675	0	1300	4401	0	0	0	0	0	Phytochemical	0.21052632	0.8947368	0.05263158
20	C19 H17 O4 N1	324.12305	324.12347	0.32508186	324.12314	6173	5576	4296	4162	1598	2149	1657	0	2273	11881	21289	876	0	3328	2975	2072	3792	2596	4490	10771	15579	5356	1898	3657	1999	54015	2529	22983	0	0	2355	2716	0	1823	8160	0	1897	2176	3106	7881	34618	2555	0	0	0	6401	12647	0	2830	1394	7731	3802	2969	0	0	0	1262	2237	2196	7542	2665	7393	4379	0	2298	2399	1621	3169	52612	31741	66638	0	2007	1725	0	2481	0	0	5101	17478	1511	7790	3131	15363	2519	0	4648	1758	2138	11198	2169	3674	9090	14240	10264	0	6407	5988	2106	1716	1462	4250	1716	3389	3050	3197	1839	0	1994	3307	Phytochemical	0.21052632	0.8947368	0.05263158
18	C19 H17 O4 N1	324.12305	324.1235	0.33263233	324.12314	6467	3850	3997	6769	3542	1794	2604	2431	3136	14687	27496	1697	3048	4209	3737	3485	3060	0	2144	13113	19095	8944	3139	3560	2050	56985	2371	24960	0	1523	2475	0	2804	0	10209	3292	2354	0	4536	13317	37848	3083	415	0	0	4563	10831	0	3190	2114	4941	4642	1388	0	2072	0	2442	2757	1486	6105	0	9877	0	0	1424	3203	2223	5325	52503	52374	95161	0	0	0	1430	0	0	0	2252	15115	3070	5880	2855	13250	1611	0	4419	2920	2734	4740	5413	7460	7771	12723	14446	0	4734	3253	1817	2556	1692	0	1302	3363	3805	3849	1769	0	2334	2295	Phytochemical	0.21052632	0.8947368	0.05263158
16	C19 H17 O4 N1	324.12305	324.12357	0.30998373	324.12314	4480	5190	4031	3544	2725	1692	0	0	0	11362	21546	1910	2500	3690	0	3215	4558	0	3283	13113	15933	4294	1951	1577	3228	50521	2054	18868	2338	2290	0	0	1694	2007	9589	0	2143	0	1923	13365	22012	0	0	0	0	6498	11951	0	1783	1550	3735	5864	3089	0	0	1143	1032	2697	1317	4800	0	7306	0	1133	1101	1709	2720	4367	51150	39112	80362	0	1539	2259	1697	0	0	1634	2422	11157	0	4348	2619	14007	2226	1526	4722	3713	3758	0	4516	3571	0	8398	8766	0	3202	2697	3058	1239	1247	2266	1422	0	0	0	1428	0	3070	1657	Phytochemical	0.21052632	0.8947368	0.05263158
14	C19 H17 O4 N1	324.12305	324.12354	0.27705058	324.12314	0	2471	2893	3994	0	0	1846	0	0	7167	11747	0	0	2042	3144	3624	2517	2077	3556	9330	15912	4679	1707	0	2948	47676	1451	9193	0	0	1343	0	2878	1225	6418	0	2440	0	3404	5400	13741	0	0	0	0	7187	7023	0	1575	1398	5001	4647	2310	0	0	983	670	0	0	0	0	5430	0	1712	0	0	2126	3209	34955	33959	54825	1611	1444	0	1918	0	0	1004	2042	0	3360	4128	1071	7402	1971	0	1582	0	0	9522	0	2210	4316	3532	12552	0	2296	0	1853	0	1053	0	0	0	0	2024	0	0	1391	0	Phytochemical	0.21052632	0.8947368	0.05263158
14	C16 H21 O4 N1 S1	324.1264	324.1277	1.0885255	324.12677	25858	25380	20109	22276	15915	0	0	27389	14919	17917	11138	19493	14606	0	21501	40552	31273	0	0	14346	39560	0	20856	32288	25748	14953	0	9599	0	20570	21857	0	36879	0	40480	0	39664	0	36914	29498	21984	0	0	0	0	34978	16428	0	0	0	21886	0	18755	0	0	0	12644	0	0	17717	0	19971	0	0	0	45606	18310	30959	0	36212	18255	26731	21586	17582	21638	19375	0	25347	0	16433	0	14803	17570	16668	0	17000	29441	0	20940	45027	23602	69858	0	0	53686	0	0	0	0	0	0	37402	20366	20227	0	35654	25056	0	26348	20429	Organosulfur	0.25	1.3125	0.0625
2	C12 H21 O9 N1	324.1289	324.12958	0.28559554	324.129	8123	5604	3792	7585	55378	0	1805	12178	3170	1974	0	5964	8698	41099	2868	0	7088	9111	9624	2751	2205	6381	3009	6429	2178	0	0	0	15620	7134	14972	10451	10858	17396	1217	9639	9271	2894	5039	983	1500	11456	0	0	0	1526	984	0	10568	0	7288	7050	25569	0	3208	3448	0	11164	901	1862	2627	699	3699	3011	0	12035	15972	9250	0	702	0	18863	20070	13563	0	8079	0	2607	3314	0	4032	0	903	368	5121	3223	3432	8959	9242	10217	8878	7485	9942	1307	315	0	9274	4527	1705	2305	5011	5798	2624	1351	442	10257	25866	0	2785	6049	A-Sugar	0.75	1.75	0.083333336
4	C12 H21 O9 N1	324.1289	324.12964	0.39228424	324.12903	2482	4733	5327	4000	126807	37475	718	0	1782	0	0	0	19100	78593	0	0	6689	15294	12155	0	0	1424	1253	2424	686	0	0	0	0	1408	0	0	0	0	0	1534	3581	1256	3829	0	657	19311	0	0	0	0	1045	0	0	1592	3722	5645	56019	0	0	10219	5541	2065	1185	2256	1572	0	3358	0	2621	20488	10486	7688	0	0	0	0	1154	1137	0	913	0	778	1377	0	1215	0	553	0	9405	2126	2378	8051	5006	3778	0	0	3124	0	0	0	3071	3602	5634	4941	6764	1873	639	0	0	1305	38113	0	1064	5732	A-Sugar	0.75	1.75	0.083333336
8	C13 H17 O5 N5	324.13025	324.1308	0.21633331	324.1303	178698	187604	140734	8814	30642	20334	123010	8048	15330	129906	95870	5762	15658	44799	174728	229744	2462	4988	30895	168270	166008	230380	169471	10530	22674	69188	7362	74642	187278	173196	196788	229462	280442	203588	197014	197968	280132	7556	3116	165224	173952	8849	1340	0	0	154458	154414	0	236356	173460	169524	175778	15888	0	13849	12528	7200	214218	126246	129812	212166	103080	9623	6972	81268	11294	18136	4795	64482	83622	0	4570	199996	156570	137596	175016	0	4486	12554	0	121434	2112	1858	71856	12892	0	146416	9589	22174	18774	0	152300	30676	96742	129332	0	183278	165854	16334	82320	78812	243538	145427	170124	0	233118	11468	0	131358	11635	Peptide	0.3846154	1.3076923	0.3846154
6	C16 H21 O6 N1	324.14417	324.14474	0.20747472	324.14423	249279	556890	254688	260903	317412	127989	291166	262450	378102	901188	233366	285448	295463	94173	173990	298472	349874	528572	553560	407301	1003494	768780	371782	590922	263878	145896	285000	152937	242031	422250	450418	563218	352690	502714	1112588	502014	637614	326938	489464	527000	730368	150295	3800	1672	1859	265305	568066	1346	608554	212209	570796	535176	339266	1954	520418	148004	181996	569916	352594	502738	554226	200045	249819	181439	76333	231915	171227	479668	197057	257518	321822	439950	436764	219895	259888	416628	1538	290708	293770	124889	133999	155624	328184	148093	130923	114901	313534	335430	390104	475766	189920	506512	650556	425444	314748	2258	524036	469792	100415	137523	157072	322047	303496	304806	139769	482456	127489	1340	122922	627992	Phytochemical	0.375	1.3125	0.0625
8	C15 H21 O5 N3	324.1554	324.15594	0.13715392	324.15546	85783	83077	74767	85967	25968	28346	64185	95196	30505	65075	41858	60984	28610	13161	77535	113473	87763	42482	53341	83128	73131	118363	75756	126847	67163	15667	63440	46841	89457	84732	80772	101641	101047	86349	84139	90433	106149	70629	111220	98931	99974	38694	0	0	0	98378	96871	0	112060	92344	77974	82763	29263	0	44414	18182	28654	101996	78196	79550	103448	61240	28698	30782	28296	39914	36749	111784	22216	44524	34172	95693	90617	80958	64895	88857	0	62601	73541	58792	63939	56379	73688	55136	25834	28687	68379	47485	44429	145016	98379	115823	173834	56729	82641	0	81665	80773	23784	16591	16940	95435	60610	115604	44122	92634	27239	0	74897	43532	Peptide	0.33333334	1.4	0.2
12	C15 H21 O5 N3	324.1554	324.15585	0.042897813	324.15543	24276	23795	24331	25173	10983	13504	22363	36908	11220	17053	8255	23291	8309	5064	22877	33125	40232	21170	22537	19551	16774	36521	23700	38988	32781	5162	22198	9293	33559	24547	29259	33441	41735	31013	23304	32412	33029	22062	41675	19339	27823	13401	0	0	0	20447	20925	0	31287	27659	22650	27200	11379	0	16556	6432	13658	43300	24730	24575	26531	13749	8769	10502	9209	18531	14570	44743	0	10756	10927	27893	26785	26040	26317	27797	0	21832	25909	16358	23733	22371	23677	14460	9597	11923	35271	17439	15257	65686	33809	40449	64536	14140	18355	0	28322	29090	9508	5899	8346	32109	21881	25732	0	37196	10288	0	23739	17220	Peptide	0.33333334	1.4	0.2
6	C15 H21 O5 N3	324.1554	324.15598	0.15616892	324.15546	93564	104481	95086	103357	31992	37540	73280	130150	39530	89787	52067	71565	35243	17301	89125	127416	111155	61094	72634	110323	116083	145348	80931	140384	66126	20099	65819	50442	105527	100874	113727	118223	136622	103575	128630	113913	136908	81691	153613	105527	120986	46122	0	0	0	118194	124954	0	133494	110062	100925	101067	40084	0	51866	22557	31119	116710	83790	99316	122478	72237	43432	35489	28839	44601	54614	151034	29928	60386	61406	111405	106435	100226	51793	91735	0	66363	81341	87351	69338	65142	78137	60710	28100	36598	86280	68238	55037	172286	192859	171667	200963	83469	100602	0	99191	91870	20719	16718	21039	129997	69775	138323	66721	116505	27635	0	81159	54102	Peptide	0.33333334	1.4	0.2
10	C15 H21 O5 N3	324.1554	324.1559	0.13821895	324.15546	53065	46443	42734	48082	17615	16742	41612	72357	21017	30938	20790	35882	17873	8200	42893	66748	52994	29922	33949	37728	40246	70563	45899	79124	48267	12503	42910	16341	52455	50210	42507	61799	69786	54707	41436	62960	67114	42113	68658	49278	47303	22192	0	0	0	51227	39489	0	57242	52547	48458	48283	22020	0	27639	11268	17743	67431	55499	54991	64687	30351	18137	20868	17682	25946	25529	67868	16651	20808	28379	54050	47188	49228	43536	49219	0	41199	40544	31972	39369	36325	48517	28567	15697	17863	48792	30510	28408	89601	63920	71716	110051	28501	54747	0	49476	44520	11789	14018	11790	55391	40482	70944	25415	54982	15429	0	52325	25257	Peptide	0.33333334	1.4	0.2
0	C15 H21 O5 N3	324.1554	324.1561	0.07494514	324.15543	15605	17583	14974	16372	10086	12464	8677	23767	12578	9695	5687	11628	10950	0	12604	3299	22057	18177	17525	11705	21713	24572	17695	16832	9416	2977	1804	11371	24987	10275	19313	20328	27035	20040	20058	23126	25364	11514	27350	15639	17095	18444	0	0	0	12117	8155	0	26111	12963	18006	14782	13834	0	12805	6185	6840	25304	12308	14978	10776	7371	13892	14228	11956	14916	21627	29337	3426	5746	4566	19591	24181	16218	2091	23000	0	13671	14333	16816	10498	4491	8129	4649	7948	9829	13305	15313	18136	27038	14985	18687	38793	13631	2444	0	15658	15088	5112	4908	6306	14772	8910	14401	6725	30326	7935	0	11463	17759	Peptide	0.33333334	1.4	0.2
12	C20 H21 O3 N1	324.15942	324.15985	0.16517706	324.1595	0	0	1462	2783	0	0	0	0	0	6164	7434	1076	0	756	0	1811	0	0	0	7547	7885	0	0	0	0	25557	0	10514	0	0	0	0	0	0	4869	2143	1784	1140	0	1759	0	973	0	0	0	0	0	0	0	0	1747	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18113	24377	0	1482	0	0	0	0	0	0	0	0	0	0	3594	0	0	0	937	0	5390	0	0	0	0	3035	0	0	0	0	0	0	1546	0	0	0	0	0	0	0	0	Phytochemical	0.15	1.05	0.05
20	C20 H21 O3 N1	324.15942	324.15985	0.30396715	324.15952	4742	4083	5398	2963	0	0	2343	0	0	4112	9583	1370	0	0	1476	4951	4479	0	0	4490	4498	2969	0	4527	0	27765	1390	8115	2236	0	2052	4331	3055	2797	4051	5115	1813	2678	4351	3758	14385	1168	0	0	0	3985	4768	0	3232	0	3179	2463	2069	0	0	0	1368	3626	1065	5731	2848	3668	0	0	0	0	1719	2822	25333	15670	35328	2983	2384	1460	2716	1543	0	0	2080	6169	0	0	2417	0	1751	0	2999	2350	1556	9120	2987	0	1999	6369	3151	0	1686	1765	1311	0	0	2018	1838	4804	3838	3477	0	0	1943	1353	Phytochemical	0.15	1.05	0.05
10	C20 H21 O3 N1	324.15942	324.15997	0.17809662	324.1595	1155	0	0	1983	0	1548	1232	0	0	5762	10918	800	0	0	0	1646	0	0	0	11297	11133	0	0	0	0	26078	1507	8436	1474	1636	1514	2573	0	1519	5001	0	2778	915	0	3754	2372	1411	0	0	0	2081	2756	0	2247	2028	0	1288	797	0	0	0	0	1202	0	0	0	0	0	0	769	0	1612	2245	14780	18229	24021	0	1065	1518	0	1901	0	0	0	0	0	0	0	5509	0	0	0	1099	1267	3246	0	0	0	2076	4865	0	2046	2829	0	0	0	1767	931	0	0	0	0	0	793	0	Phytochemical	0.15	1.05	0.05
22	C20 H21 O3 N1	324.15942	324.15988	0.33794987	324.15952	1414	0	2793	2738	0	1252	0	1651	0	2145	8706	0	0	0	0	3404	2967	0	0	5018	2830	3480	0	5467	2528	29840	1025	10969	1480	2403	3001	0	1883	4488	3612	2742	0	2816	3463	8300	16336	2090	0	0	0	3152	8402	0	3441	0	5822	3412	1939	0	0	1242	0	2111	1892	6024	2453	4971	0	0	0	0	4334	2662	26031	10939	21924	1130	0	1365	1376	1939	0	973	0	6013	0	4593	1738	6215	0	0	2184	4085	2765	4186	2012	0	3089	6733	2737	0	3240	3644	1142	0	0	4826	1520	4304	2370	2127	1462	0	1570	0	Phytochemical	0.15	1.05	0.05
18	C20 H21 O3 N1	324.15942	324.15988	0.21027783	324.1595	2368	2204	2515	2205	0	0	0	0	0	0	5671	1319	0	0	0	3047	1437	0	0	5841	7283	0	1115	0	1946	23079	0	6885	0	2230	0	0	3276	0	0	0	1656	0	2361	4826	7641	1145	0	0	0	0	2835	0	1798	0	1812	0	0	0	0	0	0	1743	1582	3481	1880	2510	0	0	0	0	0	2556	14024	10195	25024	0	1179	0	2162	0	0	1852	0	4290	1160	0	0	2317	0	0	2963	1205	1826	5001	3984	0	4830	2523	1899	0	0	1793	0	0	0	0	0	0	1963	0	0	0	3058	0	Phytochemical	0.15	1.05	0.05
16	C20 H21 O3 N1	324.15942	324.16	0.21800546	324.1595	1827	0	1418	0	0	1639	0	0	0	2852	3537	1140	0	0	0	0	0	0	0	2302	6314	0	0	0	0	20644	0	7441	2136	1459	0	0	2658	0	0	0	0	0	0	2441	3485	0	0	0	0	0	2141	0	0	0	0	1924	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16192	17256	23338	1344	0	0	0	0	0	0	0	3805	0	0	0	2752	0	0	0	0	1126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.15	1.05	0.05
14	C20 H21 O3 N1	324.15942	324.15988	0.25031313	324.15952	1566	2581	0	0	0	0	0	0	0	2911	3267	0	0	0	0	0	0	0	1957	4006	7682	0	0	0	0	29832	0	0	0	0	0	0	2052	0	2937	0	0	0	1707	4363	0	0	0	0	0	0	0	0	0	1100	0	1568	0	0	0	0	642	0	0	0	0	0	0	1269	0	0	0	0	0	12993	18614	0	0	0	0	0	0	0	0	0	0	0	0	3769	0	0	1322	0	0	4727	0	0	2458	0	2411	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.15	1.05	0.05
0	C13 H25 O8 N1	324.16528	324.166	0.1452071	324.16534	13150	12764	12679	10313	17393	85817	0	33676	4378	3502	0	3610	44895	6511	0	4670	0	80451	11226	3107	7684	7868	3713	22760	4664	0	0	0	53259	13112	27731	35940	71680	178704	5749	28989	53639	2285	0	0	0	13291	0	0	0	6729	0	0	42214	11507	12788	12149	9907	0	4836	1658	0	22300	0	0	11574	0	20490	5954	2660	62231	17009	0	0	0	0	202497	135104	32490	0	25422	0	9993	0	0	0	0	0	0	1595	0	0	58519	16779	0	15567	4705	10317	0	0	0	12201	11328	3018	1119	0	15095	3960	2726	0	21568	2415	0	0	63663	A-Sugar	0.61538464	1.9230769	0.07692308
2	C13 H25 O8 N1	324.16528	324.16595	0.18637212	324.16534	9612	8822	12287	10125	88007	33303	3410	6432	24976	2887	4644	4629	43638	91800	5139	0	3853	39261	12387	1520	2922	5149	3358	8560	2205	0	0	17266	8804	3038	6738	4640	9995	18553	5687	3796	16118	2964	6910	2944	2801	19970	0	0	0	1789	1620	0	4592	5530	11088	8295	40959	0	10116	8285	36809	9017	1085	2270	0	727	9284	8536	18330	54664	41104	11285	0	685	686	26544	19931	8460	832	5543	0	4235	2792	19905	2960	0	1696	1192	33481	9270	3775	13688	4381	13411	34175	26007	12836	4278	2367	0	10372	11434	6655	5029	6110	5268	3807	3162	1416	8422	46596	0	4091	27692	A-Sugar	0.61538464	1.9230769	0.07692308
4	C13 H25 O8 N1	324.16528	324.16592	0.2383807	324.16537	0	2758	2398	3534	29420	6726	0	0	5516	0	0	0	11385	0	0	0	0	8223	9904	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1004	0	0	0	22387	0	0	0	0	0	0	0	0	3751	3584	32222	0	3815	10606	12635	0	0	0	0	0	3935	2471	7213	15402	26782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14999	6612	0	2673	4543	0	0	19312	0	0	0	0	3027	3780	3608	4190	4983	0	0	0	0	0	23466	0	0	5675	A-Sugar	0.61538464	1.9230769	0.07692308
10	C14 H21 O4 N5	324.16663	324.16714	0.13073027	324.1667	127813	138000	104377	132935	0	19459	23317	62006	0	2090	7253	122128	0	3440	19420	450112	48111	1264	1759	0	1454	0	32662	715031	8352	0	65177	3387	111699	531300	0	255576	494852	210582	0	136072	502005	147862	11353	0	0	23740	0	0	0	9254	0	0	1065420	56024	119667	113079	7034	0	0	0	4604	344766	0	0	495226	0	0	0	5907	1938	25922	444895	0	10971	11757	348049	121650	68695	512309	181820	0	138652	13627	0	26314	0	0	0	0	0	11174	47997	26274	86312	0	0	89250	0	0	0	139085	131975	0	0	0	465038	116841	0	0	405330	0	0	16415	0	Peptide	0.2857143	1.5	0.35714287
28	C17 H25 O5 N1	324.18054	324.18097	0.27765852	324.18063	6290	3797	7248	5085	26172	7433	2149	2103	12902	3611	2294	2486	24383	3748	2304	3350	5394	13077	18161	3225	3581	3737	3298	4412	4122	2603	3336	2831	3876	3124	3890	2256	4960	2381	2439	2597	5141	2658	4697	3393	1729	4221	1197	1174	0	0	0	0	3288	3493	6700	5586	14720	0	16296	15541	4949	3850	1659	2494	3910	0	11953	10649	3354	20179	5176	4959	0	1992	3244	2807	2044	3299	2796	2293	0	2571	7886	3905	3943	1498	2788	1553	22180	6079	12250	6758	5756	5418	3794	4363	5659	1932	3103	1510	6439	5597	7992	25206	24385	6765	3090	3245	0	4003	14793	0	4088	22135	Lipid	0.29411766	1.4705882	0.05882353
2	C17 H25 O5 N1	324.18054	324.1812	0.202969	324.1806	153541	151884	133197	143335	30981	77410	110820	243761	30302	159229	74944	124885	35319	17596	258682	207761	295272	47778	90292	195537	204309	185813	108396	180804	201338	64842	108009	64817	225447	216374	218077	237338	204287	202045	381740	246903	203222	210646	321512	349298	150193	74894	924	0	678	111909	134559	485	246700	198970	140422	133936	45873	625	41063	21681	29406	200302	62492	72297	177591	86839	32436	36834	29077	47692	78784	388894	84394	121768	131310	203210	225846	306951	304258	206308	524	136243	191188	154350	91257	58876	80909	81786	34890	38325	84112	54095	79705	167439	313072	311996	208568	106988	181165	927	144920	154601	25570	30567	35502	183560	115350	506238	73800	155772	23439	0	175576	41177	Lipid	0.29411766	1.4705882	0.05882353
4	C17 H25 O5 N1	324.18054	324.18118	0.18684956	324.1806	171313	181309	173539	169422	56533	63208	115352	249251	53337	238123	85489	128097	74821	37104	281188	216694	198103	83069	106848	284972	265012	262879	139986	445714	139945	109332	123627	74446	220733	188265	199646	232406	262729	202858	305266	237413	236502	124105	222932	229069	192483	74547	1367	680	810	190542	182850	752	252914	232059	181554	151623	72962	762	77666	35828	38885	212725	64549	79083	215801	116173	64126	57986	28853	80443	70932	222516	98367	200521	178015	223110	201464	247543	165859	200265	333	149753	130253	98367	127097	79807	113038	119268	44172	46614	121849	77003	88625	342002	440112	212106	556278	126825	229694	1511	166621	192528	35180	41131	40379	215423	130480	311455	96858	174185	37399	798	130992	74516	Lipid	0.29411766	1.4705882	0.05882353
8	C17 H25 O5 N1	324.18054	324.1811	0.18911485	324.1806	125846	129199	113109	127900	45089	43286	78762	148574	47820	167202	79422	86013	63049	25261	82998	152988	119125	61651	94360	206101	198078	170811	88584	158205	73470	102065	81781	75469	129751	127733	120811	150159	152370	130415	224321	130444	152628	72494	154573	164549	155931	49048	1030	539	780	129163	135682	531	169044	129504	122060	125632	48218	736	58535	33277	33687	132886	33326	81971	144210	78745	59758	48856	32732	66745	54826	142574	88931	182361	166651	124880	138468	127942	114057	130369	544	79921	109424	82779	86576	56250	56931	96818	39479	26001	93095	57899	65693	155472	135268	152041	180630	96739	140030	698	129516	114071	35238	39507	40215	148388	73722	165445	42960	111768	34627	411	92699	72402	Lipid	0.29411766	1.4705882	0.05882353
0	C17 H25 O5 N1	324.18054	324.1812	0.026418922	324.18057	18076	16804	17427	13476	2700	0	18700	28232	4529	9158	6945	21756	2719	0	17050	7956	19454	7438	8972	10453	20658	21035	13540	17148	5335	8936	8845	10736	23349	13638	23682	26109	18963	24163	16430	31592	13766	18195	25171	12412	18274	20040	0	406	493	9923	8567	0	23351	18689	17686	15308	6098	595	4575	2211	6600	30098	10102	13465	28147	11820	0	4007	17792	5347	16402	24069	8831	7859	9903	21354	30718	42367	7499	29264	470	17192	11953	10880	12356	6208	11776	9465	4003	8088	12242	5898	14526	24801	11235	12331	36812	13504	6115	353	14450	15320	4200	2068	2778	12065	12482	13983	8111	16543	3572	298	12447	4850	Lipid	0.29411766	1.4705882	0.05882353
26	C14 H29 O5 N1 S1	324.18393	324.18414	0.49770397	324.18408	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2843	0	0	0	0	0	0	0	13226	3300	2412	39864	8753	0	4609	0	0	0	0	0	0	0	0	0	0	0	0	2321	0	0	0	0	Organosulfur	0.35714287	2.0714285	0.071428575
10	C16 H25 O4 N3	324.19177	324.1923	0.17593862	324.19183	10955	11358	10477	9260	4107	6395	7484	14891	2466	11899	6949	7245	2371	2438	5840	12962	15654	3220	4678	17941	16662	11765	6593	11375	8413	11036	9564	7466	12775	10977	9625	16475	17917	12251	13701	15075	18252	6495	18488	12807	7758	7538	0	0	0	7580	7443	0	14383	10947	8967	11190	5334	0	3302	0	1931	16422	2322	3749	12713	2989	2202	1850	2271	3894	6837	21728	9572	19054	15837	10813	13943	12806	9709	11518	0	6535	6418	0	5868	2881	3926	7632	2948	2308	8762	5487	6826	20502	33917	9167	23282	6402	12271	0	10794	10623	2835	1137	1541	16613	6435	10787	0	13793	2237	0	9690	3102	Peptide	0.25	1.5625	0.1875
12	C16 H25 O4 N3	324.19177	324.1923	0.21981396	324.19186	3925	6205	3817	4588	3729	2860	8119	5517	1599	3635	2012	4771	2124	0	4107	9476	17299	2968	2696	8738	4385	5396	2756	6609	5030	2117	3257	0	10799	5524	8245	7657	15533	7946	6832	7452	11649	3234	20249	4260	0	4498	0	0	0	6196	3791	0	7692	3194	3040	6121	3795	0	1706	0	1582	7559	0	0	0	0	1470	0	1475	3368	5118	20397	0	4317	3023	5965	8249	7259	7532	9201	0	5355	3770	0	3430	2241	1441	2238	0	1093	4742	2489	3366	15445	14915	7318	8422	0	3728	0	6404	2540	0	0	0	6947	4240	4067	0	4761	1080	0	5267	0	Peptide	0.25	1.5625	0.1875
6	C16 H25 O4 N3	324.19177	324.19235	0.13513754	324.19183	20450	20209	17451	23554	9180	9868	9843	21440	5230	20601	9088	10773	9232	7310	16166	23563	16169	10331	14793	24389	27351	18874	12754	24357	17533	15633	8995	11049	22448	17964	21561	23388	22419	22779	24541	20562	26255	12928	20999	22241	15571	9089	0	0	0	17740	16576	0	24282	18231	18167	19227	9427	0	8759	3664	6030	25610	1369	4698	25154	9966	9501	6266	6390	13142	12611	22480	11126	24278	27875	18123	16567	17697	14913	19224	0	13096	14446	15897	12898	5948	6093	12732	5626	6373	16001	9582	11496	35614	57744	26689	39592	12405	17486	0	15965	17329	5036	3799	4807	21179	10846	19777	9588	23721	5812	0	16894	11146	Peptide	0.25	1.5625	0.1875
4	C16 H25 O4 N3	324.19177	324.1924	0.12817535	324.19183	14079	12932	13388	14110	6193	7611	9504	16587	7513	10838	6323	7827	8362	5131	11918	16142	16606	10834	12407	17046	14111	19144	11457	19842	12521	10495	10128	7385	16196	10672	12484	12574	16832	12179	17819	14587	17599	10641	21076	13700	13159	6156	0	0	0	10014	15457	0	19837	14750	15168	12779	7171	0	10438	3335	4355	18348	2764	3467	16782	8685	8738	6864	3184	9365	6582	17043	9201	13862	12677	11131	10711	12092	14353	9317	0	9645	11892	15060	11046	6807	7078	9328	6505	6127	12826	7077	7404	24398	39969	23149	30506	9055	12027	0	14247	16385	4485	5071	4398	15579	8193	16416	7048	12894	5510	0	11157	12077	Peptide	0.25	1.5625	0.1875
8	C16 H25 O4 N3	324.19177	324.19232	0.17573476	324.19183	17476	14996	17650	17569	7314	8105	8767	17955	5892	22338	9610	8157	6581	6675	12180	21293	13488	7277	11942	39106	38686	19208	10874	23055	11881	18910	10919	11451	17271	14063	15068	18154	19452	19004	29757	14980	20631	12302	15177	24839	16687	11106	0	0	0	15490	18733	0	22483	14783	16284	15574	9077	0	7840	2894	6429	19283	1312	1844	15348	9705	8031	7312	9253	9588	13445	18177	19151	41421	34214	16578	14721	14331	12996	19518	0	10230	14009	8355	6972	3749	4085	17991	3975	3780	13564	8847	8910	32776	34136	21238	29918	10315	15592	0	16024	14188	3249	3519	2136	17402	7388	17603	0	19532	4306	0	13403	9156	Peptide	0.25	1.5625	0.1875
22	C18 H29 O2 N1 S1	324.1992	324.19955	0.20370294	324.19925	3982	6410	7361	7894	0	0	16147	23685	0	0	0	6570	0	0	4689	1501	180625	0	0	0	0	1845	0	0	3437	0	15902	0	11499	37661	18801	17241	75730	0	0	20673	14203	3162	200038	0	0	1577	0	0	0	0	0	0	6519	33996	10259	7049	0	0	0	0	0	4764	0	0	1808	0	0	0	0	0	0	213412	0	0	1801	1705	3662	31043	23690	24608	0	6189	0	1441	0	0	0	0	0	4842	3489	38580	0	10430	0	0	3928	0	0	0	4459	8344	0	0	0	90110	5359	0	0	12661	0	0	5971	0	Organosulfur	0.11111111	1.6111112	0.055555556
18	C14 H29 O7 N1	324.2017	324.20203	-0.031786613	324.20166	0	0	0	0	0	0	0	0	3990	0	0	0	0	1593	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	333	0	0	0	0	0	0	0	0	0	0	0	8867	0	8295	0	0	0	0	0	0	2178	20153	3322	4180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12674	0	0	0	0	0	0	0	0	0	0	0	0	33689	0	0	0	0	0	0	0	1447	0	0	0	Lipid	0.5	2.0714285	0.071428575
0	C14 H29 O7 N1	324.2017	324.20236	-0.09504836	324.20166	0	0	0	0	5686	0	0	0	1501	0	0	0	1904	0	0	0	0	1870	1704	0	752	0	0	0	0	0	0	4476	0	0	0	0	0	0	0	0	0	0	0	0	0	4101	0	0	0	0	0	0	0	0	0	0	3387	0	502	451	3490	0	0	0	0	0	0	0	5779	2012	10401	0	0	0	0	0	0	0	0	0	0	0	0	20953	0	0	0	0	885	0	0	0	0	0	2230	0	0	1675	0	0	0	0	771	0	0	0	0	0	0	0	3584	0	0	2367	Lipid	0.5	2.0714285	0.071428575
14	C14 H29 O7 N1	324.2017	324.2022	0.39747122	324.2018	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	591	423	0	0	542	0	0	0	0	0	724	0	0	1338	0	0	0	0	0	0	0	64928	0	0	0	0	0	0	0	0	0	0	0	629	0	0	0	0	0	0	0	2303	34783	0	0	0	0	0	0	0	0	0	405	0	0	0	0	0	0	0	0	17656	0	0	0	0	0	Lipid	0.5	2.0714285	0.071428575
18	C18 H29 O4 N1	324.21695	324.21738	0.23106523	324.217	33185	32795	40092	30119	25435	27771	27148	39684	12718	39008	29727	24614	24386	22895	19488	61458	73295	21495	26264	48759	46919	28188	28563	47724	20771	59973	32654	31175	40648	69079	27273	45255	52048	31952	31642	50532	38186	17766	66013	26245	52829	44103	1718	374	0	31682	48479	347	52419	61043	33903	39171	20883	5714	13578	15260	15850	42183	10214	67546	53344	14605	25809	14498	12741	41566	23911	87151	45442	39982	68268	35228	32345	51234	68876	51252	0	18566	32690	26092	19404	14683	20019	22365	21809	19846	63296	33215	22477	92281	64326	39456	65344	24233	64333	538	37412	44569	14476	22238	26595	52987	19940	33550	14754	33342	22443	424	23790	42282	Lipid	0.22222222	1.6111112	0.055555556
6	C18 H29 O4 N1	324.21695	324.21753	0.17073384	324.21698	52325	54526	47137	49792	13446	17354	45791	90888	8772	63622	26147	37440	10228	11461	43211	84586	54463	13954	25769	81945	73047	58456	33888	78727	56491	29329	45824	24438	75325	72464	79371	81089	86303	63747	71426	70584	78737	34033	69829	47909	22601	19591	0	0	0	45197	36776	0	106516	77872	56273	56160	19299	0	13469	4724	9190	91248	835	1858	88246	20197	8681	9883	8481	15281	23652	72642	21683	58894	39617	77889	61323	68908	56182	61219	0	41266	29096	23929	26714	6383	7957	31243	6714	12358	46776	20750	22971	100340	91429	42110	111314	28869	59968	0	49132	46325	6799	5124	5709	72539	33086	76877	17593	59785	5796	0	38403	12095	Lipid	0.22222222	1.6111112	0.055555556
4	C18 H29 O4 N1	324.21695	324.21756	0.14584483	324.21698	50294	53066	48761	46375	5097	10382	41511	122675	4010	38822	17117	42170	3256	2704	56042	127000	52389	9704	16001	57785	48072	58936	41436	93699	65503	13787	39520	16758	92774	69172	94573	97572	77356	69535	56641	99402	80179	42944	61643	40397	23557	18138	0	0	0	36238	26576	0	113905	102271	52971	42622	12474	0	6569	2285	8063	132197	2875	3633	108124	19210	5255	6402	6810	10828	17055	67962	10647	24601	15614	91491	80785	118126	64809	76394	0	57154	37817	28427	35974	6884	10964	26019	3727	7747	42566	15102	22140	87838	84963	40217	114810	29678	55619	0	49449	56731	4039	2150	4558	75319	47523	77225	13216	70309	4143	0	42343	4797	Lipid	0.22222222	1.6111112	0.055555556
8	C18 H29 O4 N1	324.21695	324.2175	0.1943652	324.217	60496	59636	51878	58905	13988	17567	39735	119217	9875	71604	27227	48701	15180	12150	42669	97588	39662	18156	25731	84567	68267	59452	37518	112882	52779	27433	51447	30887	74073	85764	91735	83435	70937	65919	96125	73557	93480	35627	50661	53724	22746	21723	0	0	0	62393	37904	0	122853	105593	62205	56921	18711	0	9486	4251	13246	93295	0	2672	89834	20802	7957	12546	15255	18048	25039	64764	18980	64356	43655	137886	86546	70124	55514	75634	0	60916	33609	26186	26804	6724	7054	33598	5669	7355	55961	25286	28415	88168	119455	35077	150162	33990	70943	0	57685	59977	9915	5010	5410	72446	50432	67620	11158	73414	6940	0	38982	12111	Lipid	0.22222222	1.6111112	0.055555556
14	C18 H29 O4 N1	324.21695	324.21744	0.2204023	324.217	13408	14966	13171	15112	6739	7333	13614	15899	2614	14787	7857	10518	3793	5820	12591	24293	19864	4365	10122	16987	28921	8011	4913	12091	12134	15869	15255	0	19205	23641	14396	25927	28211	24345	23650	23511	25781	7160	20067	13631	6052	9830	0	315	0	18595	13364	0	25677	18068	13806	15655	6390	1881	2309	2802	3388	25140	0	12629	19570	6015	5385	2243	2678	10560	6470	18669	13614	21357	19390	18142	71261	22810	19412	26789	0	13941	10171	0	7125	1542	1639	8878	4843	2454	22285	7643	9520	32202	46996	12298	21737	8144	27438	0	10625	14800	2164	2170	3115	19226	11032	11889	0	16674	4399	0	8738	10265	Lipid	0.22222222	1.6111112	0.055555556
16	C18 H29 O4 N1	324.21695	324.2174	0.21380234	324.217	20627	20631	19922	23836	10658	17863	14396	18467	7284	22090	12383	15405	8343	8027	10792	40969	39362	11261	16063	27290	27438	20780	9936	22397	17816	27980	16681	11532	25821	30551	26003	22891	27324	18428	26353	30282	24771	9399	34248	15149	20562	19341	1163	0	322	17357	26961	431	34653	36793	15137	14903	9196	4048	7578	8113	4499	25252	3580	47420	18861	9176	13982	4095	5943	18369	10381	37483	19942	19892	32959	22422	24404	35543	33093	31331	406	11886	19818	16896	8451	4235	8485	14706	7036	9246	30549	20018	14186	54463	46452	21963	39833	11780	42617	731	17411	21289	7616	7692	9746	27289	10294	19704	8498	15081	9968	0	18363	24673	Lipid	0.22222222	1.6111112	0.055555556
2	C18 H29 O4 N1	324.21695	324.2176	0.17897113	324.21698	30005	31930	27995	22954	762	0	26599	59476	894	21434	10243	26953	867	1509	41669	51713	38241	2883	6678	29264	25036	27932	20479	47866	33879	5826	30065	7933	44570	51806	41826	51435	39716	38217	25353	55511	42342	32369	38022	27164	20822	9237	0	0	0	18448	19113	0	53242	50257	25191	27946	4012	0	1188	384	3690	43492	3116	3537	41786	11415	955	2501	5110	3743	8674	47775	6015	9996	9332	42494	46873	66078	51641	46391	0	25167	23439	20966	22265	5684	10800	16798	786	4495	20952	7213	10478	46372	31067	22854	51483	16605	38359	0	28627	31446	1659	472	678	37996	19628	48085	8800	33880	851	0	37099	1008	Lipid	0.22222222	1.6111112	0.055555556
12	C18 H29 O4 N1	324.21695	324.21744	0.21195611	324.217	18475	20432	18422	21914	6526	9994	40575	37247	2742	29215	9395	14757	4793	7306	9153	28475	19773	7904	15620	38603	35681	22555	10832	18540	16573	20539	48138	10982	28420	24436	28949	32006	33840	26031	48545	26649	26717	11326	19888	27198	12663	8582	0	0	0	18994	20391	0	35821	25973	14391	21054	8111	359	1640	1683	4867	38125	0	6779	20609	6859	3796	3315	2729	7870	8424	31552	0	36224	29978	34191	23455	26140	19042	26261	0	19102	11725	0	7282	3746	1677	12157	4050	4493	21998	7192	11616	43090	48200	10257	36403	11767	25562	0	22491	23043	3851	2148	4998	25453	13644	17524	0	25765	3828	0	15176	7037	Lipid	0.22222222	1.6111112	0.055555556
16	C15 H33 O6 N1	324.23807	324.23846	0.2747025	324.23816	0	0	0	0	0	0	0	0	1978	0	0	0	0	4769	0	0	1462	0	0	0	0	0	0	0	0	0	0	2765	0	0	0	0	0	0	0	0	0	0	1508	0	0	1533	9208	399	342	0	0	689	0	0	0	0	0	7342	0	1687	2147	0	0	0	0	0	0	0	6739	51611	9977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3610	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1326	393	0	0	Lipid	0.4	2.2	0.06666667
14	C19 H33 O3 N1	324.25333	324.25378	0.2690135	324.25342	5689	4069	6939	7167	0	1622	29411	5337	0	0	1918	5492	0	0	3621	31087	12559	0	0	3153	3981	0	3458	29173	8670	0	44649	0	8376	9745	10481	6989	10966	7803	2542	8539	10326	3061	8444	0	0	4288	0	0	0	3807	0	0	10722	6932	3044	5068	1863	0	0	0	2858	33769	0	0	21347	0	0	0	2681	0	4138	25496	0	0	0	11024	5331	8251	13868	7474	0	5350	9069	0	6012	0	0	0	0	0	41447	2034	4286	76128	18607	0	15374	0	0	0	5477	5935	0	0	0	7449	5079	0	0	9412	0	0	10814	0	Lipid	0.15789473	1.7368422	0.05263158
10	C19 H33 O3 N1	324.25333	324.25385	0.26817256	324.25342	26719	28123	29941	26940	0	8375	56539	157410	0	4734	3388	55962	0	0	20139	129863	46466	1641	5402	8428	4395	2631	46603	618206	26567	0	57734	4313	53933	89131	102640	42223	28062	31310	3421	54558	36335	21434	50025	2483	0	20568	0	0	0	58997	1981	0	95571	211613	25319	26622	10358	0	0	0	4347	78772	0	0	96173	0	0	1737	9053	6765	18516	53428	0	4034	4182	94012	33499	51054	57695	38766	0	46535	21720	0	47259	0	0	1709	0	2479	31136	10846	13126	48258	17077	0	23480	2407	3678	0	25378	28948	1389	0	0	33285	44193	11090	0	30407	0	0	32670	0	Lipid	0.15789473	1.7368422	0.05263158
24	C19 H33 O3 N1	324.25333	324.25375	0.24309756	324.2534	14506	11529	11903	13629	2915	8695	12685	17969	2846	4980	3522	4723	1817	6070	5561	16632	77212	0	3536	4458	3941	10110	4185	3549	26015	7948	12043	12743	19679	15974	6648	30022	85844	34841	9819	18044	87275	4875	73987	3597	4299	28840	0	0	0	4139	3773	0	18021	55117	15195	14609	0	5588	1801	1277	4826	23832	2861	8670	19496	2562	2881	2901	0	6090	15173	60513	2207	4257	3962	18105	5979	9739	42621	18005	0	5738	26073	15332	2676	5393	6238	3338	6710	0	49786	4036	5537	76360	11159	5791	31540	6109	7337	0	16240	14665	2418	2547	3501	129913	6289	2679	3847	6758	6553	0	28760	9918	Lipid	0.15789473	1.7368422	0.05263158
6	C19 H33 O3 N1	324.25333	324.25385	0.17195809	324.2534	5709	4329	4044	4627	0	1465	6240	10083	0	0	0	3905	0	0	3154	15112	9576	688	1778	2596	1402	2893	3429	13256	6389	0	8823	0	8858	6234	7215	9157	8164	16811	1083	10475	8523	3665	11876	1331	0	4409	0	0	0	3149	0	0	14136	6898	4340	4978	1898	0	0	0	769	10763	0	0	10882	0	0	0	471	1678	4018	17218	0	0	0	14820	13933	8379	10444	5992	0	3140	5395	0	3445	0	0	0	0	0	9171	4089	3721	27485	0	0	10410	827	2543	0	3962	5191	0	0	0	9906	4181	1424	0	7137	0	0	6510	0	Lipid	0.15789473	1.7368422	0.05263158
12	C19 H33 O3 N1	324.25333	324.2538	0.2804453	324.25342	12127	12732	16751	16466	0	0	47589	56250	0	2685	5132	32064	0	0	8436	46915	14969	0	2583	3554	2509	0	3740	42898	4537	0	99597	0	24853	35532	49303	33464	22933	18121	4230	19111	16651	6670	14753	2018	0	4540	0	0	0	2768	0	0	42333	51097	14185	9670	1909	0	0	0	1582	47983	0	0	43201	0	0	0	1411	0	2546	31348	0	3144	1214	30748	21326	27528	36639	29789	0	64000	5883	0	5033	0	0	0	0	0	13019	4484	6011	36626	13438	0	10031	0	3700	0	13156	9869	0	0	0	15188	45002	2443	0	10934	0	0	6924	0	Lipid	0.15789473	1.7368422	0.05263158
16	C19 H33 O3 N1	324.25333	324.25363	0.1598998	324.2534	1991	1684	1425	2183	0	0	1016	2918	0	0	0	1482	0	0	1506	6347	2551	0	0	0	0	0	0	5480	0	0	1866	0	6699	9972	2713	5350	3289	9045	0	3888	4128	0	2001	0	0	0	0	0	0	0	0	0	4869	4223	0	3668	0	0	0	0	0	5681	0	0	0	0	0	0	0	0	0	2852	0	0	0	4505	6314	3944	3850	7457	0	1569	3177	0	0	0	0	0	0	0	9022	0	1319	25067	14470	0	0	0	0	0	0	0	0	0	0	1914	0	0	0	0	0	0	2444	0	Lipid	0.15789473	1.7368422	0.05263158
8	C19 H33 O3 N1	324.25333	324.25385	0.23117468	324.2534	21268	19057	13391	15206	1521	7113	34407	38026	743	3643	3030	20175	6978	0	11700	62808	44885	15741	40545	4965	2796	3021	20077	103569	23115	590	44232	3491	37810	23121	34427	43836	30423	29712	5061	28585	34996	14253	61243	2233	0	21734	0	0	0	9393	1979	0	41281	31601	18780	17112	11203	0	0	2435	4776	38418	0	0	65041	0	0	0	7939	6561	21763	64210	0	1224	0	27193	21750	23444	49655	20639	0	18197	29221	6570	18086	0	0	2130	3920	5490	27332	13556	19512	39112	0	0	21060	0	2882	0	17151	20163	0	4280	4544	34065	14447	6899	0	21787	0	0	33427	2407	Lipid	0.15789473	1.7368422	0.05263158
22	C19 H33 O3 N1	324.25333	324.25375	0.29050636	324.25342	99286	84722	95665	96172	0	2155	48506	12779	0	9410	2331	23731	0	0	7746	90977	282411	0	0	4751	5319	276054	17380	28528	159436	0	83387	3646	14407	11318	6592	273183	462044	465366	27986	93228	401899	10683	338035	0	3648	1594	0	0	0	7405	1687	0	8276	8289	96787	103701	1274	3572	0	0	1781	111105	0	7616	81217	0	0	5618	0	0	1312	229835	0	2526	5327	6259	8464	4281	367158	20978	0	7504	636351	250634	10337	2103	0	3233	0	1424	635817	4561	2805	2278876	105768	26464	555825	43023	20860	0	82579	88144	0	0	0	502222	15131	0	0	52741	1629	0	242632	0	Lipid	0.15789473	1.7368422	0.05263158
12	C20 H37 O2 N1	324.2897	324.29013	0.20318969	324.28976	1728	1929	0	2013	0	0	12787	13017	0	0	0	4795	0	0	23727	1643	17790	0	0	0	0	0	0	0	33725	0	27728	0	5137	5173	44102	2661	0	2482	0	26818	3973	39773	7098	0	0	0	0	0	0	0	0	0	1432	7356	0	2296	0	0	0	0	1681	0	0	0	0	0	0	0	5673	0	0	44672	0	0	0	4546	1355	7131	23030	2342	0	8628	1644	0	2877	0	0	0	0	1000	4885	0	0	0	0	0	0	0	0	0	2203	2921	0	0	0	0	3540	0	0	0	0	0	10525	0	Lipid	0.1	1.85	0.05
14	C14 H12 O7 S1	325.03766	325.0382	0.2323243	325.03772	6035	3206	3767	4119	8586	4823	0	5106	5995	14288	9612	0	17396	2558	1722	0	0	10029	5867	3442	5044	14043	1730	0	2011	2560	0	0	0	1761	2031	0	0	0	8503	3376	0	0	1472	8973	7563	1344	0	0	0	0	4225	0	0	0	3241	5901	3964	0	5231	4938	742	2091	5170	0	0	4834	3664	3468	2331	5239	2961	3461	0	5628	6003	0	2599	0	1879	1915	0	1508	0	0	1297	2367	1054	3853	8026	2597	2746	2906	4534	0	5481	7474	2880	21053	24296	0	5620	4354	3409	6205	3835	0	0	0	0	2523	4579	0	0	7382	Organosulfur	0.5	0.85714287	0.0
12	C14 H12 O7 S1	325.03766	325.03812	0.15285763	325.0377	3258	4257	3291	2098	5900	0	0	2545	4265	9698	8280	1670	7556	1383	1354	3956	0	2814	5483	2394	3902	7808	0	3368	1411	1832	0	0	1640	0	1693	0	0	0	10886	0	0	2021	0	4569	9867	1883	0	0	0	0	0	0	0	7625	2820	0	3499	0	4480	2774	2226	1839	0	0	0	3078	0	2729	787	1976	1519	0	0	3317	10558	1833	0	0	1617	1284	0	0	0	0	1085	2243	798	0	3634	1114	2123	1795	2506	0	3746	4491	0	20388	21530	0	2197	0	2420	5584	3457	0	0	0	0	2187	4234	0	0	5800	Organosulfur	0.5	0.85714287	0.0
16	C14 H12 O7 S1	325.03766	325.03818	0.4304164	325.03778	3287	2569	3622	4585	11415	7176	2132	0	8136	6886	6555	0	16687	3316	0	2685	0	18738	12110	3549	2088	12744	1289	1852	0	2954	0	1977	0	0	0	0	3894	0	5541	0	0	0	1442	6247	5008	1525	0	0	0	2280	0	0	1996	0	3719	2818	7268	0	5385	7359	2522	2532	0	0	0	6563	5019	4888	1492	12507	2669	1375	6731	2339	5388	0	0	0	0	0	0	1060	1618	10463	1179	2154	1155	4053	7839	1988	2994	2355	5880	0	4100	9688	0	13845	20793	0	1720	4477	5782	6029	3105	0	1164	0	0	0	5268	0	0	12446	Organosulfur	0.5	0.85714287	0.0
20	C14 H12 O9	325.05542	325.05585	0.39416453	325.05554	4643	3239	2260	3035	15089	6992	1928	0	20674	0	1985	1836	31718	15210	2356	0	0	23593	19223	0	0	3897	3160	0	0	0	1312	0	0	0	3373	0	0	1858	0	0	1766	2817	0	1449	0	2490	1073	686	1222	1901	2683	2039	0	0	4103	7394	17594	417	20645	12551	8269	0	0	0	0	1342	35733	14750	6940	16241	4387	1898	1863	1702	1684	0	0	0	0	0	1027	0	5315	2152	4150	3167	0	0	21694	8931	8064	4805	7269	0	2861	6243	0	4386	4393	1366	3592	3635	10770	24480	18300	1749	2102	1690	1472	2415	10973	1942	2009	35100	Phytochemical	0.64285713	0.85714287	0.0
24	C14 H12 O9	325.05542	325.05582	0.3451784	325.0555	0	1778	2082	1525	10082	7189	0	0	10521	1406	0	880	8595	5798	1820	0	0	20145	7394	0	0	0	2256	0	0	0	0	0	0	0	1252	0	0	0	1731	0	2395	2257	0	0	0	0	0	0	0	1031	0	2465	0	0	2374	1759	5162	0	13734	5155	3264	0	0	0	1564	0	21071	10574	1672	9818	2946	0	0	0	0	0	0	0	0	0	0	972	1876	0	3040	0	0	0	9437	4524	1328	1463	2641	0	2206	0	0	0	0	0	2183	1299	4078	4444	7308	0	1582	0	0	0	7105	0	0	19256	Phytochemical	0.64285713	0.85714287	0.0
22	C14 H12 O9	325.05542	325.0559	0.38314328	325.05554	2224	2406	2044	1626	12664	7919	0	0	9397	0	0	0	19969	6723	2099	0	0	21589	10206	0	0	1937	2510	0	0	0	0	0	0	0	0	0	0	0	0	0	2182	1418	0	0	0	1253	0	0	1241	1430	0	3088	0	0	2116	0	6893	784	14527	7972	3254	0	0	0	0	1416	33053	10935	4209	16286	3288	0	0	0	0	0	0	0	0	0	787	2306	3584	1285	4913	0	0	0	13143	7482	3868	1979	3332	0	3043	3456	0	2711	2237	0	4524	1948	4217	9494	10379	0	1433	1260	1636	1643	8096	0	1541	27286	Phytochemical	0.64285713	0.85714287	0.0
8	C19 H16 O5	325.10706	325.1076	0.15751715	325.1071	309858	230266	244601	229549	160864	172501	152335	265263	215318	279954	234957	257919	243578	49509	170999	255604	275447	249573	297753	159674	382971	495209	238899	343581	92663	23953	166436	117303	159533	198579	186628	267567	320526	169466	412571	156788	249196	174106	340013	330009	283211	192987	3177	650	807	164937	332125	901	284744	193783	213729	214731	176228	886	277179	196061	138735	282020	160691	212901	234957	257854	300094	383147	135940	232596	235749	443552	178912	159981	275347	252701	169006	121829	231748	219712	1258	145534	279753	165435	170937	109357	141624	61835	164068	112690	237947	237301	233421	513309	80075	164033	471621	272391	256141	1556	310778	212229	136750	149860	207102	332936	187916	289507	154822	283574	135608	564	167032	380408	Phytochemical	0.2631579	0.84210527	0.0
10	C19 H16 O5	325.10706	325.1076	0.2726703	325.10715	191396	178726	169327	169651	147276	121123	98808	185468	168772	140055	120339	171603	201560	55348	153058	212939	222251	230562	233887	119141	169198	303635	194340	226948	88677	31871	117722	63887	136821	132104	149640	167033	239637	143870	181627	135237	217391	154769	278867	149190	204200	149950	4374	803	924	129166	156120	1430	164296	145236	187178	188862	155482	1412	235174	104330	99077	213973	169074	174498	222658	131343	200286	208887	105449	182353	150237	292508	78330	79668	103261	154436	141065	112136	163844	131218	980	137004	178433	108425	155009	89647	91557	45990	135121	96500	184639	183139	176172	340646	82491	153793	386281	162007	160400	2618	186924	171942	119175	114931	115438	208767	157114	149477	93366	244617	119295	637	135733	304143	Phytochemical	0.2631579	0.84210527	0.0
10	C12 H20 O10	325.1129	325.11365	0.49386	325.1131	1232	1360	2060	2541	19368	11923	1289	1821	2249	2075	0	1489	4952	30452	1755	4820	3509	3688	2691	0	0	3063	2273	4575	2818	0	1254	0	1360	1900	2224	1444	2119	1565	0	1485	2279	1607	1440	0	1639	3404	0	0	0	0	0	0	2448	0	1781	1829	13659	0	1652	0	2591	1815	0	2292	0	0	1246	1914	0	0	6535	2400	0	0	0	1571	0	0	3208	0	0	1314	2561	0	1106	1175	742	0	3507	971	2503	1954	1108	5052	0	1744	6544	0	0	0	2839	1482	0	0	1026	2798	1592	0	0	2203	12064	0	2284	1872	Carbohydrate	0.8333333	1.6666666	0.0
8	C12 H20 O10	325.1129	325.11362	0.40711495	325.11307	4153	2514	1543	3391	2931	12395	1495	8340	6277	1911	0	1918	1945	0	105420	34667	2816	3278	3779	1994	1694	7132	2117	4556	3645	0	1428	0	2479	2760	1494	3162	3773	2963	0	1734	1912	67791	5072	2051	2799	3951	0	0	0	0	0	0	5117	1692	2620	2527	2480	0	2981	3561	2578	3439	1642	2252	0	0	4633	2471	1992	4235	6272	4822	11664	0	0	1563	1794	1811	2489	2156	0	1471	2751	0	2354	1798	967	0	2621	0	3346	2703	2667	10792	0	0	9560	0	1405	0	2970	2542	5177	1661	0	1928	2211	2203	0	5056	0	0	3871	3677	Carbohydrate	0.8333333	1.6666666	0.0
0	C12 H20 O10	325.1129	325.11343	0.114342354	325.11295	4705	4975	4639	4809	0	403459	1644	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23848	0	0	0	0	0	0	0	0	2609	4092	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9126	1712	0	0	0	0	2604	4637	0	0	0	0	3713	0	0	0	0	0	0	0	Carbohydrate	0.8333333	1.6666666	0.0
6	C12 H20 O10	325.1129	325.11343	0.18533474	325.11298	0	1852	0	0	0	18159	0	7740	2791	0	0	0	0	0	157804	25879	0	0	0	0	0	0	0	0	2809	0	0	0	3786	0	4196	0	0	2045	0	0	0	95713	0	0	0	2759	0	0	0	0	0	0	10230	0	2472	0	0	0	0	1762	3227	0	0	0	0	0	0	0	0	0	0	0	7960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Carbohydrate	0.8333333	1.6666666	0.0
2	C12 H20 O10	325.1129	325.11343	0.3989456	325.11307	0	0	0	0	0	202877	8556	0	0	0	0	2187	0	0	2844	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1257	0	0	0	0	0	0	0	0	0	0	0	0	0	395	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28388	8164	0	0	0	0	0	0	0	0	0	0	12551	0	0	0	0	377	0	0	Carbohydrate	0.8333333	1.6666666	0.0
2	C13 H16 O6 N4	325.11426	325.11496	0.26971215	325.11435	5392	6818	5714	6050	8702	0	0	8064	11783	2314	3712	7042	17756	2702	4484	822	9883	9852	13558	1998	5896	9738	9204	5246	1950	1176	0	0	3920	3000	6774	6020	10178	3000	4776	3914	7294	4450	8208	4408	6909	0	0	0	0	2819	4476	0	5350	4304	4696	7284	8388	0	11496	5117	6498	5418	3676	5566	1620	2259	17104	11386	8382	11726	9308	11026	1237	1050	3594	5266	5196	3228	0	4764	0	4435	6003	0	5474	2222	2164	904	9406	4266	7893	11876	9818	26054	0	0	21350	4092	0	0	6664	5066	6328	9128	7770	7640	0	3162	2906	12777	5990	0	3592	21264	Peptide	0.46153846	1.2307693	0.30769232
0	C13 H16 O6 N4	325.11426	325.1148	0.08680552	325.1143	4705	4975	4639	4809	1285	403459	1644	0	1089	0	0	0	1721	0	0	0	1065	2039	2037	0	0	2331	1476	0	0	0	0	0	0	0	0	1871	0	0	0	0	2480	0	862	0	0	23848	0	0	0	0	0	0	1213	0	2609	4092	1719	0	967	964	0	2194	0	0	0	0	0	2032	782	1911	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	680	0	0	1632	1810	0	9126	1712	4360	0	0	0	2604	4637	630	837	0	0	3713	0	0	1900	0	0	0	3762	Peptide	0.46153846	1.2307693	0.30769232
12	C13 H16 O6 N4	325.11426	325.11444	0.10867974	325.1143	0	0	3692	0	31008	34898	28651	2820	42044	99903	56865	0	50953	3563	27202	45782	43011	64000	60057	0	95494	95781	35558	42984	24162	28777	0	0	0	30428	33861	0	3234	35892	138176	0	60188	28061	46579	91753	102918	1914	987	0	0	0	53247	0	43343	34699	55381	53915	37802	317	63313	25602	20598	3362	0	0	0	63705	61366	0	0	49334	34989	39449	39324	0	63800	0	35703	33110	32901	31294	458	29472	28940	0	23460	0	30053	41475	30032	21971	0	29883	2148	45589	47633	0	68131	63712	86063	0	0	0	0	27781	25901	55294	26070	0	0	42150	2196	0	2536	2942	Peptide	0.46153846	1.2307693	0.30769232
26	C13 H24 O7 S1	325.13156	325.13202	0.39697775	325.13168	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7100	0	0	0	0	0	0	3339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7595	0	0	0	0	0	0	0	0	0	0	0	2578	0	0	0	0	0	0	0	0	0	0	0	0	32312	0	0	0	0	0	Organosulfur	0.53846157	1.8461539	0.0
6	C19 H20 O1 N2 S1	325.1369	325.1377	0.3753095	325.13702	621270	711436	606080	668022	323585	311984	484716	834222	400606	483513	329918	544470	373512	128776	606078	869300	715664	548174	671746	513304	575697	786861	565207	906334	348173	65197	478978	228068	726725	743037	784973	842645	1140676	773428	653166	802182	1036172	599553	955703	394173	583309	427179	4611	2001	2122	567149	610902	2490	914812	727476	679698	668865	430528	2297	486907	240672	297896	787914	492424	606537	771856	322363	383354	343099	227656	467294	465287	1004259	133442	202183	235623	716484	736254	755084	497110	690018	2240	491772	457098	228004	436409	358623	433060	232152	260272	323666	487100	487986	575901	904441	390332	589236	1099747	363675	441052	2908	629474	590953	227841	272224	292545	1006023	580531	723388	350955	874242	319397	1868	418273	597603	Organosulfur	0.05263158	1.0526316	0.10526316
0	C15 H20 O6 N2	325.1394	325.1401	0.15778244	325.13947	15601	17606	14334	16550	13150	13230	8337	27468	12812	9216	5074	13800	18269	5091	11058	3604	14028	25719	21209	13026	20936	26245	15015	23257	7939	2198	3835	3029	28549	11633	21944	22807	34362	25588	18992	24007	27281	9512	20455	13301	8530	18855	0	403	409	12710	6490	370	32354	16477	19685	17088	16901	326	19225	10818	7083	35465	10643	10569	8868	5440	22948	15898	17314	19355	21202	19919	2458	6310	3823	20107	28338	15754	2141	25848	0	12219	9067	3105	8355	4363	7370	2904	11481	8509	8951	15373	23154	12135	11077	15228	35801	7358	2726	473	16675	19206	8676	8541	9254	17437	9613	15667	4994	30102	11424	351	9509	26904	Peptide	0.4	1.3333334	0.13333334
16	C15 H20 O6 N2	325.1394	325.1399	0.24365771	325.1395	148771	159603	146081	149603	110800	99830	127424	190669	102791	135435	105150	115118	108248	67726	150451	197384	177263	139680	148834	186051	154474	187157	146635	206297	130855	221045	127025	122717	147029	140691	152090	173941	204858	140377	160113	171572	201246	125586	192410	149014	160242	97284	5258	2384	2839	122672	131441	3701	193565	162646	159141	162179	118433	2808	100792	82423	84508	219184	121316	140718	190479	92061	105128	92674	68903	118705	119186	178980	177966	216467	271631	155815	143281	135854	161445	168885	2163	109179	172357	106794	135762	107279	133132	113128	110398	91053	176573	106151	118636	269569	173933	185810	281750	109243	145080	3981	148360	154079	91273	95318	105390	178267	116080	151474	62071	181026	83114	2367	146634	131381	Peptide	0.4	1.3333334	0.13333334
12	C15 H20 O6 N2	325.1394	325.13992	0.13362744	325.13947	464299	485536	499805	489554	230810	247631	515195	676888	228366	314939	187095	355639	234424	105982	466911	667904	503367	414038	480713	443599	365395	704327	464703	693068	457444	83427	405971	213688	622837	549910	564252	683968	773518	609900	402941	594601	774999	446915	611781	410132	343265	325978	4400	1063	527	427141	318099	723	661842	570529	504147	458188	304223	1891	322288	124751	218659	729374	466060	342995	703347	259442	217888	252106	176797	316740	311449	553201	99060	240761	168333	578691	529252	540816	435977	555779	511	440626	393375	232564	383601	286012	411367	208552	151036	212866	478234	355849	379693	706526	497150	608739	971867	238541	335286	2149	502583	508311	180641	118085	130443	730814	402297	478888	226685	685961	220303	681	453794	401310	Peptide	0.4	1.3333334	0.13333334
10	C15 H20 O6 N2	325.1394	325.13992	0.15945679	325.13947	792074	684546	678339	654304	303103	388026	696460	1102438	354642	580757	303898	676286	366261	152058	776208	1043655	757713	580436	639063	692209	628534	1003622	732405	1139006	644100	113949	707784	283187	978169	910521	906378	1016213	1216178	942336	717206	943346	1198724	680745	944635	735151	603834	465761	7162	1412	1076	704684	549972	1390	1054635	905782	746610	737922	421435	2221	513693	191508	267779	1061305	818251	604909	1063866	429683	287731	379915	278873	430514	484775	958354	176032	338412	279221	954991	850633	900144	750534	890873	0	652090	635738	303916	662206	477662	606817	312666	239750	336359	644625	508128	537516	928142	531139	745802	1302736	435459	604587	3801	720436	734349	228911	205967	225400	1027925	671766	881147	417020	942616	273234	1058	667450	480438	Peptide	0.4	1.3333334	0.13333334
12	C20 H20 O4	325.14343	325.1439	-0.027313879	325.14343	35331	31920	28509	32714	15059	9457	33681	38357	17060	30888	23630	20807	11729	8000	24891	38687	32513	15414	20280	28599	28176	35373	27307	32465	23393	35133	32206	11045	29194	27862	28137	30529	29466	22700	36118	26473	27254	22797	35598	29228	38158	16800	1756	815	967	25774	25158	1559	38247	33437	34188	29559	17231	943	18806	15137	14925	37849	29062	23071	42947	16920	18455	12296	12140	13002	13546	35074	28083	38861	49214	23549	27047	29294	34066	31258	816	21794	34623	16999	30785	24192	26239	23173	16494	14219	28520	14613	15996	57232	24817	21735	37124	15660	29414	1467	32096	34373	14670	14422	20104	27333	22615	34213	0	25321	17017	897	31011	14777	Phytochemical	0.2	1.0	0.0
14	C20 H20 O4	325.14343	325.1439	0.10296552	325.14346	266733	254050	226731	258319	143657	152273	232170	319727	145281	176371	140989	198600	149398	68887	242006	322521	267848	217385	224308	210924	203932	346809	227667	334970	243606	125216	215829	202706	266862	253492	265949	330132	361942	279415	220093	271037	348175	217160	308518	227701	198236	160014	0	1974	2007	201661	200232	2861	330321	249155	241066	242801	168104	3168	179455	96265	126150	368841	275523	216001	321080	148617	127780	148764	97513	170762	159170	300935	129956	176978	182160	266516	250458	247604	241661	272423	1488	212341	236622	131527	217073	147704	218671	141177	123520	107719	247813	179974	198867	421651	297656	330060	493913	137211	182081	3533	244246	246129	105714	103667	117066	323013	213070	292829	118580	348750	116876	2269	250998	190420	Phytochemical	0.2	1.0	0.0
12	C13 H24 O9	325.14932	325.14987	0.41315544	325.14944	2365	0	0	0	0	0	0	2143	1029	0	0	0	0	3488	1766	1869	0	1713	0	0	2119	0	2612	0	1679	0	0	0	2710	2471	1754	1741	0	2246	0	1093	1570	1322	3615	0	0	1542	1897	2039	956	0	0	2122	1584	0	0	0	1424	1136	1768	0	0	0	20836	0	0	5577	0	2517	4586	0	6293	0	0	2986	0	1557	0	1342	0	0	710	1796	1577	0	2818	0	1534	962	0	4170	2596	1458	0	0	0	0	4650	0	0	1491	2073	3950	0	0	0	0	3207	0	205184	0	1278	2267	1917	3237	Unclassified	0.6923077	1.8461539	0.0
10	C13 H24 O9	325.14932	325.1498	0.04155617	325.14932	8854	2390	5724	10006	3135	2575	1663	2560	0	0	5293	1176	0	9311	3444	3912	3312	1927	1321	1334	1287	4226	2438	2087	2718	0	1892	18959	3063	3158	1509	2269	2980	2454	1529	2362	2832	3276	2972	5249	1844	1579	1283	608	422	9270	0	1644	1833	1847	4065	4614	3762	670	6123	754	8155	3723	26979	2734	0	12853	4577	1213	9360	15084	15785	3352	0	0	0	2248	1275	1576	3137	2801	591	1664	3422	10679	3104	1646	1896	0	4239	4314	5301	0	995	8898	0	2604	9968	1814	0	0	3533	5322	0	1323	0	2601	2780	0	822389	3555	2183	1570	4066	1911	Unclassified	0.6923077	1.8461539	0.0
0	C14 H20 O5 N4	325.15063	325.15128	-0.022817813	325.15063	14563	15185	13050	12804	4835	0	25438	24956	7145	2577	1800	11772	7164	4964	11549	21738	28698	12581	9622	3738	5898	11697	9850	22886	23205	0	14546	3446	27630	11675	16352	18535	39460	20346	6662	22568	27662	14818	31071	3557	4310	23747	0	0	0	7043	2970	0	26489	13641	15402	9156	12374	0	5962	2987	5443	25240	3449	3390	18844	1949	7382	7424	10013	9357	21403	33769	747	3827	2368	16611	23272	15987	20838	18223	0	14157	19525	3710	22021	2370	2690	1389	4134	11537	20477	12905	18557	30466	8745	6219	33904	2715	0	0	13355	11927	3870	2168	3852	28595	12430	4556	1448	34808	5502	0	23421	9043	Peptide	0.35714287	1.4285715	0.2857143
2	C14 H20 O5 N4	325.15063	325.15128	0.11172178	325.1507	22085	22839	19443	21879	18814	0	25252	24123	15951	10405	9745	23759	20640	7568	20919	9227	39748	20042	19643	10729	17326	29242	22395	22512	11161	0	9423	10402	27970	19275	24010	23275	48928	25877	19027	29222	38356	20405	52717	14647	17795	14834	0	0	0	9936	12664	0	26618	15083	21811	20636	18134	0	18762	7113	10899	27821	9548	12424	10091	7457	18410	17272	12096	23886	16277	58441	2642	4223	6583	24607	26551	22452	12833	21145	0	19946	19479	11884	17250	7455	7110	4820	10894	11020	19052	21783	17693	49792	13623	21326	48322	12697	2269	0	21208	21851	11265	10736	10044	26786	23935	12350	8066	32087	14130	0	19623	23392	Peptide	0.35714287	1.4285715	0.2857143
10	C19 H20 O3 N2	325.15466	325.15527	0.40424487	325.1548	5660	0	4900	5412	1752	0	2648	3638	0	16724	13882	3148	2766	0	2910	4892	3632	0	3032	20796	13324	4118	4276	0	3568	34118	0	17134	4198	4532	5030	3716	5036	2862	8780	3086	4508	2612	5396	8224	8172	3672	0	0	0	5520	8520	0	7062	3452	7590	4960	3324	0	0	2208	1932	5628	0	4444	0	0	0	2162	0	0	2794	0	18834	24518	27862	0	3184	3488	4308	4240	0	3912	4218	14740	3022	2058	2664	7592	1892	0	0	4328	2244	12894	11084	3674	8126	7978	14480	0	4966	0	0	0	2748	7764	0	0	0	4204	2174	0	3568	0	Phytochemical	0.15789473	1.0526316	0.10526316
16	C14 H25 O3 N2 S1 Na1	325.15564	325.15607	0.019084997	325.15564	5422	6522	3314	7907	8914	7945	7040	3979	7757	11426	7842	4855	5795	4034	5759	8290	5725	9572	8442	17888	16648	9958	7766	9091	5297	15887	3732	5300	6622	4419	4270	6410	6937	5236	14424	6850	8808	4845	5006	9061	8337	5989	0	0	0	7204	5150	0	8490	6515	6491	7157	6155	0	9399	4633	3650	8938	6331	3911	8723	7998	10104	5802	3802	7020	5333	6319	9387	20491	14166	6348	3516	4740	6425	7321	0	3244	9008	0	4727	3427	4494	8271	6907	4603	7806	7545	7071	0	5602	8916	0	4487	7289	0	7149	6019	4063	5958	5478	12873	5482	10458	0	0	4275	0	4031	7770	Peptide	0.21428572	1.7857143	0.14285715
4	C24 H20 O1	325.1587	325.1594	0.31026906	325.15878	11908	12712	5110	4109	1602	2304	2191	10978	2268	4019	2272	2645	6388	967	3942	4804	5584	3952	4034	5489	5662	8374	4240	13548	7016	3936	2081	4138	3878	8018	8876	3977	5856	2877	6561	4114	13134	9896	8480	5932	6383	2715	0	0	0	4635	6933	0	4597	4674	11970	4012	2513	0	2961	1230	1860	4542	3837	10376	4405	3883	2944	2600	986	2260	1866	7359	3198	3492	3078	3921	8776	4229	2742	3967	0	2386	3754	45277	8154	3258	3230	2296	1914	2007	3606	2407	6494	15996	51042	33810	9259	7118	4964	0	4972	12616	2183	1780	855	6048	2652	6718	3517	4396	1869	0	3005	3627	Phytochemical	0.041666668	0.8333333	0.0
8	C24 H20 O1	325.1587	325.15927	0.19594088	325.15875	5415	6214	4623	15010	1342	1793	11542	15834	1634	5087	1762	3941	1464	0	13032	8086	6566	2797	4024	14696	4414	23370	5942	24086	4123	986	4358	2315	6026	6185	15044	7541	18032	14630	6218	5440	17330	4917	6160	8521	16662	2560	0	0	0	5793	7917	0	8856	5053	4268	5256	2918	0	2856	1302	2307	6516	5773	13896	7329	4865	1721	1395	0	2119	1420	19650	0	2315	1850	7516	15472	14526	5276	5238	0	11036	5136	0	4258	3621	12872	2338	2006	0	4590	4520	4506	10292	0	6889	30226	4257	6344	0	6332	6220	1336	0	0	5280	4115	8847	0	15530	0	0	6070	1701	Phytochemical	0.041666668	0.8333333	0.0
10	C17 H24 O6	325.16455	325.16513	0.14682597	325.1646	351756	303266	150081	298724	186474	165830	307844	455274	225076	235938	176816	131337	120365	65565	313866	522280	378056	246688	160212	367202	153225	182904	326866	237518	151945	279370	333884	77579	365738	193729	338918	182132	365604	127714	281480	391260	178575	281094	421258	243258	129301	210304	12416	6397	8294	333328	155024	7233	181056	181470	164458	170516	187232	7004	335584	223618	79492	456702	150460	304570	248244	161650	108184	231968	70333	113240	208260	211083	113629	296746	304430	263358	273778	364250	423372	174066	6419	117753	425208	94730	183437	253908	358850	89033	284764	102678	410962	154882	203294	236898	162120	184871	498782	107918	172819	9170	322808	178205	94629	239158	318742	189211	130178	198734	97216	313156	218112	6250	327376	120357	Lipid	0.3529412	1.4117647	0.0
12	C17 H24 O6	325.16455	325.1651	0.1339719	325.1646	874028	1005270	997144	502424	474830	211704	885286	1012816	535896	644198	255079	529450	240785	155717	701348	1402144	1041986	653990	915294	455411	788850	956364	395595	1138488	703766	692272	962562	213815	969194	949156	383515	1018324	909862	721158	670530	463016	930026	355920	1090718	552670	338798	569546	15944	7050	6425	701950	373074	8636	1123124	988010	497179	505202	516920	7591	848840	258429	439920	1224544	330281	367721	640446	183240	712558	281307	346774	600236	519776	519066	278266	757526	747432	328180	757734	452301	1192230	492139	4485	607432	889462	214342	754986	551288	875862	554996	316136	504206	972406	439802	578808	585941	918542	942994	1164070	201496	427168	13656	1031954	960354	238776	300307	352110	1132258	573808	510621	223065	818736	541694	6886	376344	654554	Lipid	0.3529412	1.4117647	0.0
6	C17 H24 O6	325.16455	325.16516	0.11819684	325.1646	44978	50466	62624	93290	45412	40808	84652	107684	63168	61340	62008	34940	47848	26356	103308	90412	99936	55531	65100	73448	92492	47702	92404	109396	64953	43864	74773	21750	91784	110672	91736	90968	101136	63760	76396	104776	72952	89402	55124	26620	82396	56844	8832	6686	9370	96708	88520	7698	51418	100476	81592	79740	55348	8350	92267	69864	46436	47908	87364	85196	57266	21624	48508	47172	19114	47212	34756	115273	31662	47512	71532	70288	42176	112768	71011	97356	6608	77184	49149	28718	88436	89828	50886	44612	68568	49560	99212	38680	62284	114361	144059	102844	97992	67156	38626	8262	77552	93332	52428	70938	50485	109364	84744	51946	38206	73012	52989	6786	40610	57372	Lipid	0.3529412	1.4117647	0.0
8	C17 H24 O6	325.16455	325.1651	0.15261959	325.1646	61423	138904	89666	63842	64236	61422	60842	143508	72384	86668	62414	44612	83452	25035	61602	80491	150444	37147	100448	71461	61932	71875	61866	86856	100308	41770	56556	66872	65147	136776	121970	66160	118006	93174	57744	68567	123702	53517	159384	99164	47436	40439	6110	4201	4911	144140	67901	3979	68137	71216	54797	62251	36235	4396	125880	85790	35101	76684	62680	59029	153638	62260	35101	91530	25923	68970	62546	84096	44331	43925	48597	50552	100994	68201	54446	140872	3451	49334	157338	90640	67444	105578	125478	65696	98760	34999	72929	54306	38680	85622	193022	242570	84128	42226	113628	5111	62615	137634	37843	50119	58129	69426	50815	81668	35545	56306	43003	3778	58603	67504	Lipid	0.3529412	1.4117647	0.0
8	C13 H25 O2 N4 S1 Na1	325.16687	325.16736	-0.17263272	325.1668	0	0	0	0	0	3103	0	1210	0	0	0	0	0	0	1111	2135	0	0	0	0	0	0	0	0	0	0	0	0	0	1164	0	1085	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2108	0	0	0	0	0	0	0	0	0	0	0	0	0	0	797	0	0	0	0	0	809	0	0	0	0	0	0	0	1005	0	0	0	36887	56173	0	0	0	0	1162	938	0	0	0	1327	0	0	0	0	0	0	848	0	Peptide	0.15384616	1.9230769	0.30769232
18	C16 H24 O5 N2	325.1758	325.17624	0.17196259	325.17584	6242	11370	10217	4433	4739	3907	5798	7680	3427	3077	3035	7191	6757	7467	10105	9960	7859	6525	6756	3065	2881	12576	8184	12926	9563	2404	6495	5352	9961	9738	7622	14225	13380	8451	2933	8185	13235	6908	14494	2932	2332	6837	0	0	0	5717	3854	0	13608	8681	8029	6564	6070	210	3307	3023	3410	18098	7323	6612	9991	3069	3386	3690	3123	6027	6432	9321	2875	1486	0	7972	7027	5306	10961	8301	0	4878	6790	6014	3950	3954	4301	2821	2210	3599	10319	7773	6030	17904	19504	24068	20613	4446	7155	0	8911	6833	2826	0	1442	13717	6277	9733	1602	9109	2965	0	8991	2851	Lipid	0.3125	1.5	0.125
6	C16 H24 O5 N2	325.1758	325.17636	0.11252049	325.17584	103997	110501	103486	105406	51372	45550	99323	139221	60061	102790	41384	59116	61912	25202	107927	121126	67019	75567	100475	116341	110804	140018	75992	140390	94809	30054	84845	44097	130391	113513	123511	150795	170809	116101	146008	133302	160250	94874	95019	92426	81918	44738	0	0	0	93496	81458	0	160873	105112	105338	105843	70351	0	114090	30674	34279	127825	45463	44680	130188	54251	65970	64069	26753	61658	56246	105750	32078	83321	61393	118253	116391	129132	69729	97887	0	75233	65052	48090	65598	42665	54002	43598	34397	42897	85902	52570	69060	142876	143108	158462	190522	54666	91730	0	98166	87587	29717	33184	35203	151060	71932	123648	34832	114380	46315	0	77317	88506	Lipid	0.3125	1.5	0.125
0	C16 H24 O5 N2	325.1758	325.17648	0.05120441	325.1758	10590	10742	10485	10010	4218	0	6907	12978	6228	6904	3693	8896	6651	0	7439	3160	13766	8396	9172	5969	14921	13160	9747	8995	5445	3487	2048	5395	12171	6024	9934	10682	13381	13516	12816	13453	14194	8713	14451	8842	10687	9652	0	0	0	6888	7513	0	10935	7652	9426	9208	7023	0	6649	5275	3710	13618	7782	7516	5477	6309	5241	6004	9013	6830	7986	15624	3564	6213	5544	11580	14345	13500	0	16979	0	8067	9489	6695	8653	3011	6487	4623	5001	6113	9072	7226	8074	15868	9030	11406	20592	8683	2793	0	10789	9681	3769	3581	4583	8706	4998	10634	4453	14070	5879	0	6006	9439	Lipid	0.3125	1.5	0.125
12	C16 H24 O5 N2	325.1758	325.1763	0.12746966	325.17584	68393	72429	77854	65931	25259	34293	64552	98315	28161	55618	27423	42516	17908	16624	63436	79733	64432	47617	52748	82335	72007	126455	52883	89446	76475	19019	50461	23535	82943	70308	78513	91316	102362	77433	75377	81061	111890	58216	81096	82396	67417	40210	478	0	0	78468	55089	0	94194	79263	74779	79635	35903	237	38757	13786	27840	101777	67874	49854	64850	38223	27825	28947	22253	38323	42351	77465	0	45641	31947	83436	74069	80746	55326	75518	0	57908	49149	33349	46367	48926	62872	39786	15880	24583	63546	38944	41191	100003	105984	133856	135766	43431	79907	0	65582	80027	18976	16676	14308	103783	49096	91480	25178	82137	22385	0	58539	35881	Lipid	0.3125	1.5	0.125
10	C16 H24 O5 N2	325.1758	325.1763	0.14000368	325.17584	78750	63756	66397	66222	30408	32807	55421	89537	27596	71704	29714	48999	27368	16921	67543	91270	53230	47402	48800	90843	71315	99943	61865	110539	66838	26780	60325	28346	83080	72680	79849	87925	94706	78750	86939	88693	106559	54805	64719	86645	70601	35940	800	0	0	74544	65091	0	94725	82742	70211	70005	33731	0	38190	16795	21037	92292	70590	54923	88320	43816	32643	29418	18486	31568	35428	69004	23852	53208	45671	82509	68695	84391	57983	69140	0	50513	59049	41947	54002	51665	59946	40786	17080	25311	56921	33959	42487	87364	85818	98200	137444	48605	86429	0	72187	77550	21125	17048	22067	86147	49779	100368	28315	78361	24177	0	55996	35206	Lipid	0.3125	1.5	0.125
8	C16 H24 O5 N2	325.1758	325.17633	0.13667029	325.17584	89130	95891	75902	97024	36844	36880	61310	103034	35095	76096	38563	61966	39249	17969	70815	119965	77240	48239	59692	96455	93096	124461	63275	124051	66896	27947	67350	31185	99136	92489	95123	135820	150613	95829	105345	111697	155425	59118	91246	94897	78852	44715	0	0	0	95606	77252	0	122826	92280	87152	88856	41986	0	53155	16625	24531	112468	42584	51944	118355	48702	39409	38355	22189	46466	46214	96050	30488	54163	52961	104178	92465	116071	69391	99488	0	63682	65312	44518	54780	41004	51081	46652	25892	25091	69546	41684	52505	141439	112030	124705	178390	55535	89419	0	89956	87253	22656	22693	22427	136879	53509	115775	35193	104970	28750	0	70870	52684	Lipid	0.3125	1.5	0.125
14	C16 H24 O5 N2	325.1758	325.17627	0.12862737	325.17584	64369	55035	60305	67284	28043	29219	48312	87021	22108	39764	18922	34983	25236	13599	48435	72571	73125	44044	40772	61927	50189	93118	44654	73055	51413	13921	41058	19416	67660	70604	71122	76823	104802	67402	54141	70637	98936	43297	89034	56992	38485	38221	0	0	0	60227	37643	0	77478	64337	53498	52411	33163	319	27791	11310	19118	83486	68262	37773	74672	32859	20618	21381	20406	35358	36417	81386	0	28538	28269	86341	70766	74835	55670	64819	0	49881	40378	25932	37784	32288	54597	28453	15692	20858	43545	41082	40989	80439	101670	101438	110760	30116	51055	0	61921	56271	14483	17217	10692	82825	46278	80971	0	91050	19029	0	48123	30346	Lipid	0.3125	1.5	0.125
16	C16 H24 O5 N2	325.1758	325.17627	0.14886351	325.17584	24131	29730	27655	25823	22396	19230	26056	34245	14090	18660	7922	17062	16659	10473	32185	42381	32453	29640	26644	24883	24870	41318	35011	47974	36068	5210	24191	9990	38676	25200	36944	37598	57293	28483	26853	32142	54826	21599	34123	24970	22514	15587	662	0	0	23171	19966	0	39871	31239	33300	23754	20689	0	19720	6547	12609	57644	28516	24410	40836	11950	9459	14249	11511	19710	19569	30087	4228	10728	9547	33980	27747	33418	21336	30609	0	20203	20820	20120	20073	17549	24588	14617	9829	13184	30426	20981	24335	45981	56773	59927	74835	17091	29207	0	28234	27812	8812	5422	9417	41013	17396	32707	9444	44625	12574	0	30764	23338	Lipid	0.3125	1.5	0.125
16	C21 H24 O3	325.1798	325.18027	0.15011613	325.17987	41596	47717	46689	44274	29895	16817	42927	42718	25678	32309	29990	44285	22895	19040	39002	64926	75949	23627	39950	31888	40913	45535	39211	46702	40521	63495	54440	29757	38252	47480	42410	50326	48568	29506	34504	44250	41303	36596	85020	34629	53785	30753	1497	863	641	27656	40400	911	49848	52249	46456	45909	32179	617	29904	36013	27975	54579	31014	52426	45486	18526	31364	20836	22270	24283	27105	77113	46657	57399	87448	33403	34054	50028	69007	51488	387	34193	60464	29061	42241	30371	42956	30705	44585	28321	65445	27687	36257	113682	41934	33832	54784	30792	32690	949	36230	42703	29152	44132	47275	48370	30952	46301	17064	45192	36896	637	57711	21863	Phytochemical	0.14285715	1.1428572	0.0
18	C21 H24 O3	325.1798	325.18027	0.18016231	325.17987	105829	101781	83059	77746	71061	60483	80500	96145	56393	68076	73773	77533	60338	46481	81862	123793	141397	55041	82508	94628	91146	81695	79957	120421	72149	147495	94368	63572	88936	97554	82194	94067	104848	84078	79828	89983	102413	77326	156391	68649	102194	62106	2570	1086	621	65136	79137	1135	99287	90719	89570	82996	68260	923	57049	66916	61585	117552	64057	94480	90108	52501	54981	53451	51479	71374	58768	167670	121171	126817	203736	66508	70744	90849	132383	116451	599	59087	125455	72054	100382	59084	76403	65945	92280	65646	115571	75326	71747	165864	84858	84454	130139	57917	75309	909	89859	88494	65006	80651	92651	112373	69439	100966	38602	77826	63542	881	94564	57802	Phytochemical	0.14285715	1.1428572	0.0
14	C21 H24 O3	325.1798	325.1803	0.14585742	325.17987	18373	21122	16252	18976	9953	5808	25735	22784	10196	9200	12271	16723	4702	7766	18038	22482	36704	3562	10378	15058	12117	20533	14652	22476	17918	18218	24899	0	17089	20626	19642	21736	21466	15541	13291	16942	14082	16044	33784	13418	19213	12133	0	434	492	11229	19471	860	21160	22187	17754	22863	8441	436	9306	10670	13407	28971	12228	20338	0	9011	9150	9511	10247	7089	9613	33187	15444	18800	23142	12896	16095	19734	25484	21466	326	17437	30273	0	23436	14715	22351	8681	20282	8622	25911	6452	10861	48017	16983	18888	22842	10472	16954	595	17909	15785	11602	21979	20562	18727	12876	19649	0	23200	11196	583	25763	7256	Phytochemical	0.14285715	1.1428572	0.0
26	C18 H28 O3 S1	325.1832	325.1835	0.37046105	325.18332	4609	3222	3509	3233	5420	3964	1901	0	2210	5829	6585	0	0	0	0	0	0	0	0	7668	9424	8328	0	0	0	0	0	15525	0	0	0	0	3436	0	9834	0	2241	0	0	6382	6474	0	0	0	0	0	10618	0	2656	0	6125	2411	4602	0	0	0	0	1657	8281	4633	0	4554	2397	0	0	9781	12735	4954	0	2387	0	0	0	0	0	0	0	0	0	22741	2842	8739	8961	7482	0	0	3433	2542	3189	3470	47500	53668	5655	12167	14116	0	3350	0	4387	1778	0	0	0	8214	7164	0	4776	0	0	1695	Organosulfur	0.16666667	1.5555556	0.0
8	C14 H28 O8	325.1857	325.18652	-0.080517694	325.18567	0	0	0	0	0	0	0	0	0	7053	9868	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2388	0	0	0	0	3643	0	0	0	0	0	0	5004	0	0	0	0	0	0	0	0	0	0	0	26775	0	0	13836	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4937	0	0	0	0	0	0	0	0	0	0	310902	0	0	0	0	0	Lipid	0.5714286	2.0	0.0
10	C14 H28 O8	325.1857	325.1862	0.13628542	325.18573	21752	23577	26975	17232	14754	15484	30547	16502	14368	12671	44643	28056	7698	17712	8445	11571	24382	9488	7288	6427	8068	18094	16014	18652	11703	12895	76118	198862	14402	20484	18923	21397	14981	21087	15839	17261	14374	21577	32192	20633	65804	13929	46100	54273	34218	18353	122714	43369	23656	21490	18983	24812	14508	34110	7744	14838	18990	17409	20264	57237	0	64414	10888	10575	19077	16771	15333	34089	109510	15880	274369	26826	27080	21768	19206	26532	34601	22818	12342	240848	18764	20635	13012	13953	15922	12966	18981	17436	14025	25466	25324	6907	12410	40001	24356	36160	20627	20512	17671	16153	11128	17026	15199	0	0	18563	11610	49405	15886	12009	Lipid	0.5714286	2.0	0.0
2	C15 H24 O4 N4	325.18704	325.18765	0.044666126	325.18704	8325	6488	6570	6890	2414	0	6200	11014	2871	3283	1707	5586	2802	1701	8690	8556	9990	4762	5291	4126	4679	8174	7452	11007	7138	454	4001	4625	9560	6303	7555	9661	10186	6427	3465	8065	13827	6825	12511	3464	3512	4345	0	0	0	3792	3073	0	9569	7867	6892	7307	4025	0	4824	1220	2978	12238	2437	2102	8175	2527	3128	3657	0	4172	5243	14786	0	2002	1332	7864	7573	7268	6210	7887	0	6799	7890	6833	6811	1345	2759	1770	2670	3552	8172	5220	5083	28434	8304	8357	22329	2941	1885	0	7200	8009	2160	991	870	8398	5346	5759	2077	11827	2196	0	8936	3191	Peptide	0.26666668	1.6	0.26666668
8	C15 H24 O4 N4	325.18704	325.18747	0.08532684	325.18707	3401	3000	2726	0	906	2515	3218	3426	0	0	0	1543	0	0	2385	4489	3895	1231	0	888	837	1313	3613	8037	2719	0	5073	11681	2932	3303	2189	5285	7392	4965	0	4134	6546	1621	4903	0	0	1019	0	0	0	0	0	0	4331	2488	3059	2212	1222	0	0	534	993	3465	0	0	4674	0	0	0	0	0	0	8805	0	0	0	2347	2080	2783	4459	4228	0	2281	3484	12058	3240	0	825	0	0	0	2188	5279	1799	5342	23029	0	5512	0	0	0	3823	2960	924	0	0	8081	2828	1834	0	4637	0	0	2183	0	Peptide	0.26666668	1.6	0.26666668
22	C15 H29 O2 N2 S1 Na1	325.19202	325.19238	0.05580054	325.19205	5124	7244	6082	0	7692	7996	9200	5442	6392	14636	3308	4242	3468	0	3880	6166	0	20878	10604	15848	10834	4206	4930	3154	7840	3122	6450	7664	13912	11552	7270	0	12732	11076	12812	8114	15794	5228	4340	6318	0	7784	0	0	0	3026	0	0	4698	2958	12542	4652	8484	0	11220	6642	3542	11772	5452	4334	8534	4232	7874	2756	5270	9062	9834	5382	5412	7158	5856	4108	6548	4450	8092	8934	0	4718	4230	5936	4710	4124	11038	4102	2996	4030	6750	8620	5030	7612	12116	6328	4234	0	0	0	3070	6014	2484	11000	13042	10758	7184	10572	3190	0	5742	0	3148	6790	Peptide	0.13333334	1.9333333	0.13333334
12	C18 H28 O5	325.20096	325.20148	0.18812318	325.20102	19842	15384	20658	26494	6658	5519	28499	19332	7603	7210	5820	8162	3622	5748	13105	43813	35604	2889	6052	9693	2817	19957	11140	22166	15175	5384	37383	0	16576	25668	14160	26594	13597	11363	4040	29271	16254	10083	32061	4074	9495	11786	1380	599	649	10327	7553	599	25253	20690	27554	24113	6617	764	8220	9159	6715	26085	0	0	20865	2292	6241	6612	6689	5082	6384	32110	0	2679	2927	7929	13935	28352	50494	25693	309	6652	17084	0	8979	6964	18517	11184	11930	8577	20805	7222	8343	63134	21116	21065	30544	5326	13975	1231	22189	16447	7107	10403	16295	24561	8868	15279	0	19206	9660	681	19880	4516	Lipid	0.2777778	1.5555556	0.0
14	C18 H28 O5	325.20096	325.20142	0.17189625	325.20102	50632	47386	55577	48267	21129	17963	89350	50693	37578	15782	22073	40790	15410	29254	34710	63160	110175	26541	19271	15640	14200	33886	29288	43644	41734	26480	97289	23375	49175	53364	46595	67414	53785	36560	21095	58403	47899	35364	115868	9981	22100	27758	7063	5289	2973	23555	22377	7468	62170	42862	55235	42707	23959	4173	66781	24154	26836	64925	11212	26145	41382	7091	22455	49080	26214	22083	30287	107409	0	18337	18275	33803	40079	62926	92012	59355	2687	33873	49190	26118	31196	24252	88141	83706	242740	106579	70846	24182	30592	143408	39991	39901	52041	16273	22705	6030	54565	50954	24216	131742	121661	54507	34843	26061	0	47127	136593	5580	52383	20477	Lipid	0.2777778	1.5555556	0.0
16	C18 H28 O5	325.20096	325.20142	0.16909716	325.20102	73062	85905	91947	84278	54704	51597	212981	92479	42503	33640	39651	65656	47994	75389	65836	119096	187224	54501	61981	49869	40180	54488	65511	85573	66561	76214	191557	44249	92625	105495	80766	96615	95290	66164	38805	115635	82899	71520	203158	20222	41020	63422	13196	6476	4629	41372	47085	6736	111941	92628	83141	85405	58856	7740	55824	55400	49973	124069	30937	61162	104898	15288	57439	51119	63423	61916	81734	185369	26232	31289	37505	57502	78096	112265	160613	102660	3820	54501	93766	92799	53742	47038	311871	256469	204530	110203	159149	52318	63781	213042	85025	74384	101021	38132	52855	7024	84510	94232	41902	121310	151962	105612	49231	60318	26386	82318	105917	6777	85315	43562	Lipid	0.2777778	1.5555556	0.0
10	C17 H28 O4 N2	325.2122	325.2127	0.19902132	325.21225	8110	5931	6375	5043	4244	1481	7037	8036	1231	3702	2155	4919	2279	2859	14775	16389	3813	1809	5664	6338	4749	4284	10665	11625	16725	0	6426	0	10521	7234	7855	12099	10622	8765	6416	8601	10031	14799	5609	4143	1112	3198	0	0	0	5230	0	0	12560	8575	5924	5966	2560	0	0	0	2343	17316	0	0	14106	0	0	1859	1952	2709	2193	8337	0	3389	1838	5431	4765	6530	6496	5909	0	5828	9691	0	6563	0	0	1527	975	1215	12425	3200	6058	14557	12959	4484	20323	1995	3254	0	8196	4925	0	0	876	5620	4540	8075	0	11764	732	0	12836	0	Lipid	0.23529412	1.6470588	0.11764706
8	C17 H28 O4 N2	325.2122	325.2127	0.16467974	325.21225	10095	11673	9156	10473	2845	4509	7821	19382	1872	6045	3121	10655	1752	1044	10490	22577	13382	5441	5769	10557	6954	10889	14448	15080	15223	2535	8244	1920	14046	10424	15110	21581	12889	7938	8713	12165	11888	15380	12766	6788	762	5194	0	0	0	8264	3723	0	22560	15201	9834	11066	3244	0	2045	0	3291	28085	0	0	16558	1662	2623	1227	2294	3834	5660	15444	0	8831	3635	8294	8811	10345	13340	12677	0	12310	12900	0	11198	432	1003	3203	869	0	17962	4744	8757	28367	19432	7943	26418	3419	5222	0	10510	11823	859	1247	0	9546	9293	10674	0	15464	0	0	13971	2398	Lipid	0.23529412	1.6470588	0.11764706
6	C17 H28 O4 N2	325.2122	325.21277	0.16624339	325.21225	12570	12654	10706	11429	3984	3029	9321	22246	3313	9257	3502	9814	2832	2071	15749	27423	12401	5886	6983	12309	11322	12854	9603	21844	17785	4246	7045	3840	17506	12504	13293	22972	15572	9601	14295	16146	14987	13369	13776	6679	3415	5859	0	0	0	7518	3039	0	23213	13065	11565	10778	5394	0	3612	1295	2662	36950	0	0	22432	2068	2402	0	2239	5445	6989	22174	2723	8172	7261	8428	10008	8951	13730	11890	0	8537	10838	3398	8242	762	1580	3921	1265	4866	15594	7125	9236	25614	26309	10501	26976	3556	7747	0	12220	11127	2097	0	1003	14387	8230	13200	0	16008	1490	0	14859	2944	Lipid	0.23529412	1.6470588	0.11764706
2	C17 H28 O4 N2	325.2122	325.21286	0.23466428	325.21225	5633	5794	3867	4658	1750	0	3457	8002	1206	4104	1314	2733	881	830	4653	10260	6046	1284	2527	4516	4742	6890	4692	10091	6098	1504	3373	1049	5727	5728	5092	5790	5429	3976	4456	5246	4619	3204	7238	3382	3701	0	0	0	0	3611	3131	0	6152	5790	4764	4448	1768	0	1349	692	829	11628	536	599	7305	2034	843	944	0	846	2351	8695	1561	3123	2770	4586	3984	5349	4224	4223	0	3566	4851	2346	3667	1124	2144	2081	1279	1513	7056	2240	1633	21041	12330	7902	16961	3652	5899	0	6030	4745	1161	530	704	4173	3635	6834	1205	5740	1029	0	6264	1047	Lipid	0.23529412	1.6470588	0.11764706
4	C17 H28 O4 N2	325.2122	325.21283	0.23153308	325.21225	7244	9657	7929	8482	4540	3237	5300	11874	2610	5628	2103	5526	3492	2180	7374	19218	9365	4079	5881	7496	8336	10930	6690	16879	11160	2727	6045	0	10656	5059	7851	8798	12414	6288	9708	8882	9622	5585	8859	7820	4467	4843	0	0	0	6621	5671	0	10818	9224	7147	8553	4183	0	4971	1771	2309	21248	525	452	15385	3860	2812	3665	1692	3552	3036	10098	2756	7313	5594	6963	5317	5631	9576	6819	0	5334	5925	3972	4558	1249	2639	3752	2173	3150	10880	3313	5138	19094	18719	12299	20215	4996	9321	0	7222	9720	1647	794	1452	9488	4365	11119	0	8502	3229	0	7705	3350	Lipid	0.23529412	1.6470588	0.11764706
22	C22 H28 O2	325.21622	325.21664	0.19892578	325.21628	65242	74730	54334	62232	59802	32582	63452	63053	48042	46060	49304	54729	29473	39575	65263	99714	176785	42188	65493	56059	52937	49341	51676	54727	61632	101632	80117	48009	67361	67469	47915	81095	70168	55157	45631	84242	61746	57144	171575	37414	63078	52313	0	0	0	32537	46663	0	74076	70920	63249	63540	51399	0	47279	54460	46305	84760	33966	59074	78040	27770	32800	33825	43283	40818	47528	186381	76109	68123	98019	32107	45306	64843	114363	79723	0	43471	80359	54795	56965	29599	48818	38005	71975	60298	105828	54836	54035	146196	53931	50617	65370	48932	56344	0	46550	60383	51148	76917	76554	89654	50624	55596	28320	76435	59242	0	81197	29055	Phytochemical	0.09090909	1.2727273	0.0
18	C22 H28 O2	325.21622	325.21667	0.19621222	325.21628	7439	6906	8550	4874	2564	2768	9868	9053	4030	2629	3026	7683	3117	3320	5815	11574	22976	1838	4274	4324	3760	4000	3547	2992	4313	4460	13187	2146	4913	8797	4060	8294	3977	0	0	8475	5307	7516	25462	3672	6139	2803	0	0	0	1700	1732	0	6557	6261	6888	2906	5051	0	3129	8658	6748	6396	3656	8992	6506	1323	3261	2928	7034	2823	4885	25448	1802	4504	10674	1724	2684	5421	15534	8411	0	4458	12022	6398	11075	3651	5903	1644	5909	4236	12565	3465	5537	30564	4031	4138	6861	4610	3434	0	2548	4465	5836	8795	11896	7710	6621	4158	2024	5153	7994	0	11397	2575	Phytochemical	0.09090909	1.2727273	0.0
20	C22 H28 O2	325.21622	325.21664	0.23472023	325.21628	22532	26322	23741	18767	21810	9360	32975	20301	16396	11067	13041	22501	13050	15840	27536	39917	70857	17262	27042	16924	15705	18146	17432	25487	20463	28204	34917	15657	28768	21846	18311	23757	26619	12919	13701	28536	20454	25780	64710	9104	18125	15931	0	0	0	9982	17447	0	21049	22129	25373	22477	16273	0	17914	26493	18579	31882	13714	27708	24332	7095	14657	9227	16769	14913	18091	74099	19525	15329	35126	11997	17449	26010	49180	28208	0	17028	43019	17084	25407	12559	21971	10169	33446	23991	50203	19681	18270	65951	22576	21879	30966	15585	14921	0	24155	18852	22074	42034	41400	28667	15994	19209	10518	19136	27781	0	29055	10052	Phytochemical	0.09090909	1.2727273	0.0
14	C15 H32 O7	325.22208	325.2226	0.20718464	325.22214	18466	16621	15138	20266	16760	3589	0	14972	1779	35819	49300	0	17233	32728	1197	7291	14382	11501	0	5973	18936	18188	0	3019	0	0	0	0	5816	2546	2723	16140	23388	4162	21748	4002	23528	0	18093	26070	36490	9594	19271	1214	1127	19042	57237	1665	13569	5371	18774	15964	15991	82340	6677	3361	5554	7726	45692	18262	0	46824	21421	5429	19132	39585	24073	15101	0	10006	23763	7777	13171	10719	6168	2152	1099	0	0	31564	0	2718	1229	965	4747	4728	0	37961	2519	11710	13729	16192	17531	19609	13358	2017	20346	21575	2954	2032	3342	35051	2559	142190	592690	28631	1810	1562	0	12060	Lipid	0.46666667	2.1333334	0.0
12	C15 H32 O7	325.22208	325.2226	0.19399412	325.22214	43267	43860	47961	43617	20544	6311	0	64348	14118	38170	37426	0	25960	11330	0	49999	25547	16137	2348	63266	28593	40683	0	16837	0	1293	4063	0	18379	11259	7594	44086	48671	32925	56665	16970	47264	0	27543	119303	68230	17171	10696	0	336	65821	63623	376	85205	26233	39174	47196	18855	57299	15467	10940	28797	50481	37115	24783	22416	40048	50876	6072	10752	65333	51625	31361	0	64189	32896	73179	18306	10709	33947	10375	0	0	0	21735	1016	2881	2239	2663	32649	14914	0	43116	7527	32328	84329	23438	32494	20708	41580	1715	48961	37874	13495	8985	12780	53901	1794	94628	632729	40630	17361	484	1340	24691	Lipid	0.46666667	2.1333334	0.0
14	C21 H28 O1 N2	325.22745	325.2279	0.07477573	325.22748	1657	1642	0	0	0	7542	0	0	0	0	0	2977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3382	2783	1497	0	0	4480	0	2336	0	0	0	0	0	38195	0	0	284	0	0	0	5489	0	0	0	6143	0	0	0	10801	0	0	0	0	0	0	0	10692	0	46323	7117	0	0	0	1991	2879	0	3054	1863	0	1627	0	0	0	0	0	0	0	0	0	7349	6002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.04761905	1.3333334	0.0952381
26	C16 H33 O1 N2 S1 Na1	325.2284	325.22888	0.2717891	325.2285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11833	0	11020	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18555	10369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5636	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2405	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0625	2.0625	0.125
24	C17 H33 O4 Na1	325.23492	325.23526	0.4556129	325.23508	2035	1702	2931	2066	0	0	0	0	0	0	1482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12714	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1627	2449	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40690	0	0	0	0	0	0	0	0	0	0	69131	76002	0	7969	0	0	2228	2395	0	0	0	0	984	0	0	0	0	0	0	0	Lipid	0.23529412	1.9411764	0.0
22	C19 H32 O4	325.23734	325.2378	0.241429	325.23743	37564	30453	29609	33580	18576	30953	372445	26784	4683	18696	19483	8467	12637	178606	15117	31569	30854	9994	18709	13931	5468	13083	7398	12849	13493	63184	381916	72884	23230	24124	13419	32931	20914	21134	7942	24458	20233	17611	41397	15610	19845	37793	7703	0	1149	25255	16854	0	44570	33357	44544	36772	10429	16778	6763	21831	37865	32813	6213	21188	41827	4549	43417	5215	122614	39460	83860	36824	5900	22584	15279	18964	15549	22377	31866	28897	1168	7494	12281	269129	4794	47216	190012	190276	28118	93654	35212	21251	19873	56162	235939	166686	22779	28342	24694	3785	33804	41461	29201	19065	57588	26043	7655	34830	16797	15593	48796	0	18034	27148	Lipid	0.21052632	1.6842105	0.0
20	C19 H32 O4	325.23734	325.23776	0.2690794	325.23743	7614	7076	11325	10248	2398	4232	71671	6212	0	0	2799	2453	0	52196	2399	8184	8445	0	4841	0	0	0	0	0	2212	15237	69011	25200	3248	5085	3717	8379	3129	4316	0	5527	1769	3820	14547	1192	1582	8044	1313	0	0	3065	1827	0	10182	5746	10245	13650	1472	3705	0	6044	24349	8010	0	3186	7090	0	7064	0	50847	3898	19814	11668	0	1587	0	0	4303	5157	10533	3627	0	0	3863	198892	1818	4476	75200	81661	12396	60192	9870	7076	3959	15444	104842	83146	3226	18003	5208	0	11936	11308	11165	25555	77493	4368	2924	2191	2590	2857	29920	0	2746	2815	Lipid	0.21052632	1.6842105	0.0
18	C19 H32 O4	325.23734	325.23782	0.2704239	325.23743	0	0	0	0	0	0	9198	2006	0	0	0	0	0	1339	0	1475	1427	0	0	0	0	0	4098	0	0	0	9492	5191	0	0	0	0	0	0	0	2547	0	0	2994	0	0	0	0	0	0	0	0	0	0	2053	0	0	0	234	0	0	0	3670	0	0	2274	0	0	0	1851	0	1676	3184	0	0	0	0	1238	3505	4434	0	0	0	0	41163	0	0	15322	13451	0	0	4118	0	0	2244	17545	9489	0	1911	0	0	1550	0	0	0	1634	0	0	0	0	0	0	0	0	0	Lipid	0.21052632	1.6842105	0.0
8	C18 H32 O3 N2	325.24857	325.24878	0.10889975	325.2486	0	0	0	1052	0	0	732	0	0	0	0	0	0	0	0	2061	0	0	0	0	0	0	0	0	653	0	2038	0	1715	0	4185	2227	1553	1151	0	0	1079	0	0	0	0	0	0	0	0	0	0	0	5258	0	1058	1180	0	0	0	0	0	1874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2439	0	0	0	942	0	0	0	0	0	0	0	23310	0	0	15866	0	0	1362	0	0	0	0	0	0	0	0	0	0	0	0	1245	0	0	1377	0	Lipid	0.16666667	1.7777778	0.11111111
18	C18 H32 O3 N2	325.24857	325.2491	0.1088528	325.2486	1973	0	2246	0	0	0	0	0	0	0	0	0	0	0	0	0	1492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1391	0	0	0	0	0	0	0	0	0	0	0	0	3103	0	236	0	0	0	0	0	0	0	0	0	0	0	0	0	41834	0	0	0	0	0	0	5382	0	0	0	1939	0	0	0	0	0	0	0	3205	0	0	62485	0	0	0	0	0	0	2662	3305	0	0	1470	0	0	0	0	0	0	0	0	0	Lipid	0.16666667	1.7777778	0.11111111
24	C23 H32 O1	325.2526	325.253	0.23087531	325.25266	2777	5067	2262	2206	3047	1073	5878	4345	3259	0	2677	2999	1863	3769	3384	7183	17172	0	4867	0	0	1431	2269	2098	3354	5405	8749	1390	3730	6872	1244	5338	3277	2081	0	4365	2214	3605	13505	969	1726	3131	0	0	0	1296	2369	0	3579	4192	2717	2782	5674	0	2982	4894	4464	2746	848	2873	4747	0	1301	1396	2710	1976	5416	18058	2473	1861	2527	0	1875	4147	10847	6962	0	1937	7946	4477	3431	1776	2407	2984	6616	4173	12166	2692	5248	21455	2504	1789	1519	1477	0	0	3065	3596	2670	7399	6991	6650	3497	1820	1364	1653	5832	0	7159	1686	Lipid	0.04347826	1.3913044	0.0
26	C23 H32 O1	325.2526	325.25296	0.25093314	325.2527	7271	7992	7241	5184	5943	2664	11100	0	7285	2504	6199	3907	0	6035	0	9055	22603	0	8236	0	0	3554	0	0	7144	16105	12287	10120	7239	9079	4827	9944	4888	4070	2147	9198	5054	6896	19385	3985	6493	0	0	0	0	0	0	0	6629	7646	4858	8183	6649	0	9069	10186	7218	7379	3577	6503	5367	0	3505	4605	5278	4444	10531	23299	8390	4311	10038	0	0	9920	10710	8854	0	4238	11003	5680	4656	4895	5836	5559	14542	8982	25545	4989	7929	26422	5492	6193	5954	6672	0	0	6979	8106	7198	19510	16045	11345	4066	5980	0	5554	14716	0	9503	2867	Lipid	0.04347826	1.3913044	0.0
14	C17 H32 O2 N4	325.2598	325.2603	0.24680403	325.2599	10937	10642	9514	9881	0	0	0	5676	0	0	0	1320	0	0	39574	14108	0	0	0	0	0	0	8740	266284	682417	0	0	0	0	1449	10461	0	0	0	0	3928	0	1104295	0	0	0	0	0	0	0	10076	0	0	0	0	13979	10019	0	0	0	0	0	8696	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1636	0	0	0	0	0	4569	0	0	0	0	0	0	9799	12153	0	0	0	0	0	0	0	11082	0	0	374309	0	Unclassified	0.11764706	1.882353	0.23529412
24	C20 H36 O3	325.2737	325.27414	0.26391536	325.2738	5875	8176	6221	6417	945	4060	212765	2213	0	0	6548	1068	0	66831	2154	1441	5080	0	1653	1588	0	0	0	2709	2226	22553	204684	19062	0	1074	1559	3359	0	0	0	1754	1491	2826	5374	0	5338	4528	1948	0	0	0	2743	0	1328	2574	4980	7367	1357	0	0	5976	7514	0	0	6248	9811	2708	17446	0	56646	2974	11270	4225	3214	3724	3956	0	1917	3444	2177	3099	0	1608	1703	32062	1980	9239	41850	47992	0	0	10154	2380	4184	11322	14348	10925	2132	2968	4868	0	5392	9544	8105	0	0	1249	0	6846	1747	1620	0	0	2104	4369	Lipid	0.15	1.8	0.0
26	C20 H36 O3	325.2737	325.27414	0.24150643	325.2738	28390	18726	26960	20620	5618	10849	510362	9563	6454	5894	55338	6592	4888	177422	10786	0	16214	0	5534	11767	4715	7137	6512	4730	9580	73205	496549	101709	8193	0	4276	9969	4583	3613	6015	8264	4049	12779	21674	8885	25058	14294	7591	6661	0	11452	15395	0	7345	8866	25227	20824	6405	9502	0	21919	24594	7416	9783	27643	39599	12543	39815	5300	216721	12633	33523	18808	34646	15050	21393	5593	4861	10852	6586	8487	0	7339	8546	101635	5906	42626	73441	84631	7910	11362	19228	8941	8040	15614	44112	34856	9744	22424	11060	5090	25078	24130	32070	3669	10554	7222	5851	31306	24144	5205	5535	5364	11931	12011	Lipid	0.15	1.8	0.0
8	C19 H36 O2 N2	325.28494	325.2853	0.21143577	325.28503	0	0	0	0	0	0	2378	0	0	0	0	0	0	0	0	0	7398	0	0	0	0	0	0	0	1121	0	1333	0	32683	0	4974	1358	3885	1164	0	9678	7921	0	6732	0	0	0	0	0	0	0	0	0	17066	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1252	0	0	0	0	0	0	127209	792	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1842	0	0	0	0	0	0	1600	0	Lipid	0.10526316	1.8947369	0.10526316
16	C19 H36 O2 N2	325.28494	325.28458	-0.23303111	325.28488	0	0	0	0	0	0	4116	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3873	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1045	0	0	0	0	0	0	0	0	47703	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.10526316	1.8947369	0.10526316
10	C19 H36 O2 N2	325.28494	325.2853	0.20143478	325.28503	14098	11101	8086	9765	0	0	0	0	0	0	0	0	0	0	0	2605	2946	0	0	0	0	0	0	0	0	0	0	0	36963	2889	66195	21379	94142	25633	0	14734	181332	0	1634	0	0	0	0	0	0	0	0	0	191240	0	10119	11502	0	0	0	0	0	2064	0	0	0	0	0	0	0	0	0	2210	0	0	0	0	0	0	1608154	6523	0	0	0	0	0	0	0	0	0	0	0	1189	0	0	0	0	0	0	0	0	13281	11053	0	0	0	61857	0	0	0	0	0	0	2354	0	Lipid	0.10526316	1.8947369	0.10526316
26	C21 H40 O2	325.31012	325.3104	0.12364783	325.31015	3422	2047	2783	2149	0	0	46589	0	0	0	20565	0	0	54979	0	0	0	0	0	0	0	0	0	0	0	26829	67795	9440	0	0	0	0	0	0	0	0	0	3709	2416	0	3661	0	0	0	0	0	0	0	0	0	2718	2196	0	0	0	28073	6128	0	0	6312	10936	4174	6340	0	236159	0	6407	0	20902	1903	0	0	0	0	0	0	0	0	0	14384	0	12312	4006	8100	0	0	0	0	0	0	0	0	0	6559	0	0	2871	0	43871	0	0	0	0	8116	0	0	0	0	0	0	Lipid	0.0952381	1.9047619	0.0
2	C15 H7 O6 N3	326.04077	326.04138	0.07564207	326.04077	0	0	0	562	0	0	41187	0	0	0	1336	0	863	0	0	0	0	733	0	0	0	0	0	0	0	13776	0	13352	449	0	0	0	0	508	0	0	0	18162	0	0	1153	0	0	0	0	0	1133	0	0	0	0	0	0	0	0	0	589	0	0	0	0	13086	0	0	0	820	0	0	2339	0	0	746	726	0	0	0	0	0	2409	0	1106	18929	34593	39947	7434	33592	7379	813	0	0	0	0	0	1105	0	0	0	0	1152	0	0	0	0	0	6942	0	4409	0	8357	440	Unclassified	0.4	0.46666667	0.2
12	C13 H11 O9 N1	326.05066	326.0513	0.31231442	326.05075	1781	2087	0	0	4667	2020	0	0	6318	0	0	0	9275	1234	0	0	0	6302	6635	0	0	0	1760	0	0	0	0	0	0	0	0	0	0	0	1590	0	0	0	0	0	0	3245	0	0	0	0	0	0	0	0	0	1937	2632	0	6301	4837	2675	0	0	0	0	0	19280	7663	920	8822	2054	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3409	1193	0	4378	3769	0	0	0	0	2961	0	0	1629	0	2035	6446	4311	0	1252	0	0	1599	2415	0	0	22980	Phytochemical	0.6923077	0.84615386	0.07692308
18	C17 H11 O6 N1	326.06592	326.0664	0.33912957	326.066	3636	3605	5536	6745	5743	40367	5766	2080	7446	5013	5336	3498	4051	2364	2704	4710	6403	4297	8891	3620	8389	16725	4346	3069	2623	2319	5424	2156	0	0	3554	0	8536	0	7365	0	7099	3348	11891	5294	14551	5352	289	0	289	4691	12045	560	3931	1436	5342	5097	5148	308	2559	2411	3468	9229	0	4859	6359	5117	6350	7195	3606	9753	4792	8949	5715	2941	11350	1255	0	0	2355	0	253	1848	10542	17108	3535	5965	1991	3684	7694	2613	9842	7110	7152	19067	3943	2809	8603	16413	18525	0	3403	2500	5130	8123	6455	5213	2558	0	1930	4707	4239	0	5228	10317	Phytochemical	0.3529412	0.64705884	0.05882353
16	C14 H15 O6 N1 S1	326.06927	326.0698	0.3193383	326.0694	8605	9166	5314	8847	8571	6394	3401	4336	4409	13766	7877	2029	11737	3147	1543	6073	7191	11183	13088	9922	7376	30008	3953	3702	5576	5136	2649	7566	3274	3251	3467	0	9030	2975	16649	2591	10176	1831	5849	15011	21603	5162	0	0	0	3450	12276	0	3663	1765	6790	6406	10546	0	5261	5128	2704	3703	7468	8440	0	13131	5134	7089	2164	7762	6821	4610	7300	6690	9909	3021	2418	0	2869	1627	0	1571	6353	29578	3492	3502	6584	8970	6158	3909	7172	7166	6422	0	21007	29241	0	24240	30654	0	7384	9100	3274	4511	4201	4800	1663	7471	5561	0	8077	0	6010	18016	Organosulfur	0.42857143	1.0714285	0.071428575
10	C13 H15 O7 N3	326.09827	326.09882	0.26049885	326.09836	12636	10162	9912	13314	9582	9366	2360	10954	12028	3504	6294	13360	22384	6308	8134	14484	13592	28188	22786	4292	7998	15754	12100	10232	7076	0	8510	0	8733	7718	5918	9960	11478	7130	8586	7868	12232	7986	14076	7138	12446	9296	0	0	0	0	4010	0	11114	7408	11298	16136	13000	0	16846	9052	7294	15646	11342	9846	0	5364	16864	18684	8854	21978	17672	18584	0	0	0	10670	6572	5716	13160	3164	0	8214	12543	10228	7184	2792	4446	2086	15048	9082	9902	14409	11930	34960	0	10260	27594	5658	6372	0	11554	7592	8666	10806	5246	14194	10050	9162	0	19432	8046	0	7124	24206	Peptide	0.53846157	1.1538461	0.23076923
2	C13 H15 O7 N3	326.09827	326.09897	0.31536534	326.0984	3777	5020	4186	3930	6476	0	1405	1802	8540	1661	2877	3618	13369	2322	2088	255	4094	6844	9837	1265	3918	7267	3648	2904	493	0	0	0	2515	765	3866	2042	5362	1936	3031	2019	2343	1840	2168	1917	5064	0	0	0	0	1509	2911	0	2879	1623	3396	3423	5367	0	9430	5348	3527	2883	1648	2856	873	1674	18992	10769	4980	10879	5184	4623	0	428	1374	2008	3400	1186	0	1403	0	2188	2273	0	2390	1140	985	692	7313	3318	2403	7038	5530	6180	0	1500	9179	2892	0	0	2637	3455	4448	7503	5499	2330	2900	1697	1459	6324	4124	0	1965	20914	Peptide	0.53846157	1.1538461	0.23076923
8	C13 H15 O7 N3	326.09827	326.09888	0.30327943	326.0984	9886	10323	8579	8940	10262	5344	4602	8232	14276	3866	6033	10666	13206	2208	6420	11313	12993	16611	17968	5398	7379	15061	10352	8326	2108	0	3013	0	6487	4455	4486	7490	9355	3331	8165	4173	10215	6912	15841	5489	8202	9707	0	0	0	3332	6487	0	6857	5102	8519	10299	9775	0	13226	7402	6043	9745	6370	8576	6259	5893	17973	17227	5266	11504	9810	16085	0	0	0	5270	5433	3030	4607	4012	0	5449	10054	5561	5744	3079	3650	1968	10143	5816	10292	13106	10750	25761	0	6055	21810	6423	2150	0	7983	8650	5237	6845	5684	13025	6793	6157	0	12155	5561	0	4696	23802	Peptide	0.53846157	1.1538461	0.23076923
12	C18 H15 O5 N1	326.1023	326.10284	0.3036627	326.1024	6686	6751	6536	8007	7903	5451	3549	4097	8437	26322	24659	1454	7055	6124	3540	4718	5612	7196	12766	21195	32823	11376	2802	2974	4203	65812	1668	18643	4254	1764	3128	2349	6022	2074	27387	2627	3027	3712	7218	23782	29223	5046	0	0	0	12644	19611	0	4793	3306	8264	5688	8057	0	8586	5270	3538	6505	0	0	0	10479	11355	6346	3993	9140	5469	4759	42601	79858	104778	0	1313	1412	2275	4589	0	2046	6774	0	8638	9619	2666	17233	8067	4405	7120	5004	5220	20730	6399	5997	9865	17997	19808	0	9974	10065	7812	6550	5865	3064	3674	3422	0	5189	4857	0	5010	8593	Phytochemical	0.2777778	0.8333333	0.055555556
22	C18 H15 O5 N1	326.1023	326.10275	0.3600712	326.10242	4111	4166	6909	4504	2943	1743	3636	0	2331	7638	18298	1350	0	0	1207	2159	3626	3399	2048	0	10924	7193	2988	2189	1939	18836	1626	12836	2385	0	1718	0	4805	1506	10103	0	2555	1076	4681	11485	28842	4459	0	0	0	7983	16369	0	1308	0	3659	2983	2651	0	1623	1325	1222	0	1477	3784	1855	10416	3272	1627	1705	2662	3899	2720	18992	15761	37304	2029	0	0	1935	2687	0	1331	3606	17139	2835	9292	2706	7104	1718	1775	2536	2256	3508	9134	2657	2750	3149	18487	16523	0	6845	5386	2695	4509	5040	1945	1654	4498	8421	5037	1588	0	2336	3490	Phytochemical	0.2777778	0.8333333	0.055555556
6	C18 H15 O5 N1	326.1023	326.1029	0.31231833	326.1024	2011	2076	1869	2828	2714	1451	782	0	4166	6584	3432	1148	2477	2042	1494	1109	1161	3117	2678	5550	8563	2398	1447	1417	717	10955	1123	3466	1179	800	581	1450	1869	1765	7550	917	0	1169	1402	2597	6844	1312	0	0	0	4498	4852	0	0	610	3918	1953	2621	0	2867	1566	1503	1962	0	666	963	2470	1585	2420	997	2516	1920	0	14557	11901	20383	0	0	0	0	975	0	769	2114	3387	1850	1944	789	3420	5177	1138	1873	2102	1404	2157	0	1244	1601	4257	4127	0	2495	2141	2707	2556	3337	1366	1042	0	0	1686	2310	0	1512	3761	Phytochemical	0.2777778	0.8333333	0.055555556
20	C15 H19 O5 N1 S1	326.10568	326.10614	0.34467056	326.10577	7287	2915	5774	6202	3710	1774	2911	0	1760	7936	5653	1317	4478	0	2190	3880	2927	5222	2331	8520	4113	15572	1622	2855	2093	5392	0	7797	2447	1849	2631	3485	4643	2847	6464	0	3381	2372	4713	14954	17075	3538	0	0	0	6217	8737	0	4213	0	3509	4796	3309	0	0	1679	2151	5767	7525	7509	1877	10137	2274	3207	3224	1985	3301	1416	6201	4646	8444	2806	1792	0	2066	1555	0	1827	2279	14806	1333	3831	4497	8567	1934	1714	5044	4313	2158	3084	23457	26600	3671	19361	21712	0	5354	4276	3868	3520	0	7443	1719	10603	5885	4319	1655	0	2274	3493	Organosulfur	0.33333334	1.2666667	0.06666667
0	C14 H19 O6 N3	326.13467	326.13538	0.13687333	326.1347	11499	10329	10540	11821	8963	16112	4845	14661	10445	5488	2740	7272	16973	4797	6928	0	8434	19884	17990	7343	13193	16225	9698	13861	4663	1095	0	4122	15696	5709	12609	17659	23178	14903	9707	13814	18410	6609	12596	7113	6998	16099	0	0	0	6488	4292	0	18612	10152	12387	9059	14664	0	13876	6213	5031	20523	5597	6327	6244	3247	24676	13502	12526	17930	16718	13905	1247	2671	2329	10916	15084	11247	0	12500	0	5888	5813	5264	4102	2065	2946	0	6825	5589	6821	12880	17240	13747	12493	11569	25942	4871	0	0	13091	12755	6024	6396	5245	14184	5028	9305	2698	22400	5704	0	5276	32268	Peptide	0.42857143	1.3571428	0.21428572
10	C14 H19 O6 N3	326.13467	326.13516	0.120295584	326.1347	30804	31160	28349	25784	19781	15275	22892	35980	21629	19052	12429	26566	21582	6599	30314	40824	34378	30561	32051	19717	17522	46212	27620	43667	25629	2340	22273	12329	32969	28015	23031	34481	44224	29141	25047	30386	41082	30247	41897	22320	24467	19031	0	0	0	28879	25843	0	33669	31603	34053	29144	21594	0	31356	11361	15852	43613	36566	25447	45226	16468	17188	20195	14783	22353	19963	41100	0	10535	8281	32928	29608	23795	24112	29046	0	45100	32923	14585	20949	18148	21887	7879	14398	17379	32417	25410	21094	59742	23689	38114	79487	16197	20813	0	31403	27933	12767	12179	11282	35333	21018	30530	0	36069	16062	0	27479	28012	Peptide	0.42857143	1.3571428	0.21428572
12	C14 H19 O6 N3	326.13467	326.1351	-0.012191951	326.13464	9766	10991	13736	9806	7289	7756	11820	18473	8597	7532	4369	9169	7958	2686	14494	14861	19202	12535	12278	7614	5961	26417	12714	17643	13679	2008	8036	0	12418	8807	13578	16015	16331	12930	12691	11300	16332	14901	22010	8399	6078	10123	0	0	0	8714	8413	0	14705	11825	13243	8614	7075	0	13647	4202	7157	19249	12928	9915	0	6257	8790	8728	5255	7798	9048	23665	0	3233	2743	11207	13377	9097	10853	9928	0	13173	15091	0	10447	7276	10116	5967	7403	7313	15304	8400	11348	24770	14576	26000	34165	7173	5167	0	14740	15564	3264	4462	4599	17990	7269	7280	0	18507	7939	0	11844	16120	Peptide	0.42857143	1.3571428	0.21428572
12	C19 H19 O4 N1	326.13867	326.1392	0.20527643	326.13876	14129	17936	11641	12509	8491	7212	3739	8362	5125	49443	47733	2936	5529	15546	0	9125	14342	7283	12622	65575	67596	11694	4432	7288	5960	117487	5121	36854	8750	5281	7275	6623	11242	7759	54308	5871	10385	3637	11798	38981	37434	7137	0	0	0	18562	30590	0	8728	7028	17004	14117	9977	0	2933	4838	5845	5771	0	0	0	14701	6039	4886	4492	7083	10357	10866	60402	115097	152568	4627	6590	3485	8427	4767	0	5144	9567	15722	4040	6734	2535	21588	5882	2154	10516	6439	6723	23889	12570	7136	12056	15456	33830	0	10341	13344	4575	3199	4158	9078	3252	6602	0	7106	4267	0	5507	5570	Phytochemical	0.21052632	1.0	0.05263158
10	C19 H19 O4 N1	326.13867	326.1392	0.19742568	326.13876	12310	12509	14207	12656	6890	5901	4803	6782	5033	55826	45193	3897	4698	4920	2617	11339	8424	8050	8670	59209	71055	11010	5648	8654	4089	112110	4155	50166	5373	4712	4065	7223	12019	7796	48198	6376	9964	4191	8335	25046	28640	6964	0	0	0	25290	28809	0	10663	6765	14631	15047	5929	0	4972	3116	2966	9304	0	5074	11123	10403	5089	3832	5161	4606	8912	9905	76826	112498	137852	6742	3063	4828	11795	5343	0	3288	9963	16301	6078	4934	1216	24208	3900	3007	6770	6679	4981	18268	23414	2297	12880	19024	38243	0	13782	14601	6344	2504	4914	10245	4632	5405	0	6779	3016	0	4936	6134	Phytochemical	0.21052632	1.0	0.05263158
16	C19 H19 O4 N1	326.13867	326.1392	0.25927642	326.13876	14849	18257	11142	17675	6407	6203	8907	7739	4933	47588	47962	6051	5035	8675	6117	14831	13569	7227	12702	49645	62015	15454	6663	15837	10606	119461	7671	42140	5604	7452	5931	9028	15689	6999	37281	7378	9806	2308	17270	48639	68557	6736	351	0	0	17148	28357	0	8915	8296	17683	16273	9037	241	7916	5129	5316	10193	3143	13553	13404	23826	3212	4566	5608	7600	7345	13477	115106	127921	162268	7921	4947	5345	8025	5276	0	6266	12318	24532	5573	10323	4991	31026	7914	4485	10204	6753	7670	24137	18820	19278	0	27580	36621	0	14856	14414	4730	4954	5784	9213	4711	10387	10538	0	3748	0	7711	7579	Phytochemical	0.21052632	1.0	0.05263158
22	C19 H19 O4 N1	326.13867	326.13916	0.3183578	326.1388	9818	7801	9057	7742	5657	3054	3460	3764	3359	17118	31200	2603	2887	4744	2905	4424	6203	7080	3794	16840	17386	12672	3094	8470	2569	56354	2216	25796	6026	3122	4279	6770	7149	4996	13725	4356	3628	2809	3784	22114	46448	5775	0	0	0	6172	19980	0	6651	4614	5567	7482	6871	300	1772	3704	3172	5605	1946	7764	6118	12980	2180	4320	2106	5447	7356	9692	46064	38214	63836	2796	7094	9042	3127	3672	0	2370	4500	12955	4060	11947	3633	22405	4370	3249	2788	6875	5877	9644	8388	8942	9977	15540	15837	0	3906	5653	5049	4477	4422	8673	3277	4753	6650	4450	6517	0	4405	4399	Phytochemical	0.21052632	1.0	0.05263158
14	C19 H19 O4 N1	326.13867	326.1392	0.22859082	326.13876	15060	16331	11628	10575	6907	6632	3744	8180	7319	40408	37448	4388	3647	5681	4479	10258	11785	6763	8438	41149	57958	12255	8231	10520	6821	116666	4062	34992	7037	5128	6114	0	7772	7165	36576	5470	6162	2874	12500	33696	49219	11199	0	0	0	15279	24604	0	4966	5809	16357	13514	5676	0	4766	3771	3960	11082	0	12493	0	17304	7384	4910	4504	5937	8939	13370	76719	105800	140353	6695	4476	3583	8117	7444	0	4543	12013	16857	6800	7368	6207	25035	6483	3844	8147	6266	7024	17324	9789	5650	21252	18421	32973	0	13881	11222	7981	4615	3170	9601	3051	6764	0	9972	3359	0	7870	2393	Phytochemical	0.21052632	1.0	0.05263158
0	C12 H23 O9 N1	326.14456	326.14523	0.2334281	326.14462	0	4206	3696	0	0	0	0	6618	0	0	0	0	3650	0	0	0	0	5066	0	0	0	0	0	4423	0	0	0	0	11726	2495	6980	7191	16358	43394	0	8095	5895	0	0	0	0	2728	0	0	0	0	0	0	8200	0	3766	4452	0	0	0	651	0	0	0	0	0	0	0	0	0	4877	7863	0	0	0	0	45076	34601	11752	0	8381	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4646	0	0	0	8617	A-Sugar	0.75	1.9166666	0.083333336
12	C12 H23 O9 N1	326.14456	326.1451	0.2286099	326.14462	0	0	0	0	14965	2129	0	0	13297	0	0	0	4388	16320	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	696	717	840	0	0	1031	0	0	0	0	7621	946	3843	29247	11084	0	0	0	0	0	0	1244	20076	0	1708	0	0	0	0	0	0	0	0	0	679	0	0	0	0	0	0	0	7305	3184	0	0	0	0	0	0	0	0	0	843	0	0	15381	1633	2135	0	0	0	0	0	76000	763	0	0	A-Sugar	0.75	1.9166666	0.083333336
8	C18 H19 O3 N3	326.14993	326.15057	0.3780848	326.15005	14631	8142	7692	9408	5541	5325	4338	8442	3192	8685	15291	5490	12369	0	2469	11046	9810	7125	8382	17955	9327	6846	3888	16350	8004	17373	6699	19167	7806	8928	9474	11413	11595	6419	9720	6349	16395	6864	12828	14136	11409	7266	0	0	0	8142	15855	0	11025	7992	9588	10722	4488	0	0	0	5127	12039	0	0	0	5178	4305	0	0	21957	9225	13644	13659	21240	16149	15993	9053	4812	12009	5721	0	9141	10935	18015	10326	0	2451	11754	0	0	12252	8562	5802	23334	0	0	21501	7755	15573	0	8181	8439	0	0	0	13812	4770	8427	0	11394	0	0	6099	3516	Peptide	0.16666667	1.0555556	0.16666667
0	C16 H23 O6 N1	326.15982	326.16052	0.12596114	326.15985	11840	12984	13786	12854	8956	43619	8148	19877	8254	11305	7338	10803	9828	4788	8144	5158	13742	14798	15040	11334	25300	19263	10927	15031	4938	8249	2861	8748	20359	8488	14515	16767	21003	19431	18494	20238	20164	8337	21148	12788	13845	28532	0	869	1664	9730	9436	771	21312	10912	12094	13562	11203	963	11228	7229	6164	18473	8902	12000	12114	8971	10197	10481	11087	14817	18347	20374	8195	9311	8698	16325	20155	15585	3430	16381	1022	9184	8420	11350	8011	5063	8453	5658	8511	8443	8340	10112	16730	10478	12298	12617	17879	10558	4045	914	11909	13945	5344	6152	8905	13913	8084	10717	7704	18272	8613	820	7316	15217	Lipid	0.375	1.4375	0.0625
8	C16 H23 O6 N1	326.15982	326.16037	0.17849341	326.15988	224682	481250	192247	455826	111463	94139	254726	265132	121568	321936	142141	155366	177869	54182	338206	501268	376638	160844	218648	782264	406142	657362	367526	281642	253786	194875	275470	121860	541168	475472	207274	511930	501112	550368	454990	459556	504610	282584	451238	332313	300565	120096	2933	1039	1785	266779	262745	1303	639288	494516	445208	466076	116119	2213	187489	99989	81517	404410	374950	439130	239753	184669	165436	142565	65943	143093	118466	442406	196518	275320	269979	848922	214764	451444	155203	500216	1055	324232	178766	130496	297362	323808	184956	150971	111840	73281	142884	113362	135327	426688	171639	296948	299988	182776	281804	2123	233806	239444	83039	99078	103935	502810	298730	337281	100353	394482	101998	1272	269998	181519	Lipid	0.375	1.4375	0.0625
6	C16 H23 O6 N1	326.15982	326.1604	0.1908311	326.15988	387038	399562	350928	384978	86713	90453	192308	618678	99811	330254	134717	97806	148576	43823	115578	187955	225882	290372	330776	597020	705462	557248	121692	380602	75645	114870	87517	94653	685870	373348	404226	537902	484758	502322	823098	427518	455054	196168	153298	430046	244834	211636	2564	975	1493	184626	404554	1215	1162746	312800	180418	391404	91282	1707	147650	69257	48488	391072	262272	308786	198192	146271	135651	99192	41810	119532	244506	307096	136597	224039	247912	632514	339498	333352	92944	253914	1199	195934	195858	71774	176764	208490	229512	99955	73662	60945	209352	157556	250092	307224	148550	425650	427036	255716	426318	1379	383980	360294	49646	71736	80193	398074	199466	489026	87017	289114	63245	1116	77172	175707	Lipid	0.375	1.4375	0.0625
0	C15 H23 O5 N3	326.17105	326.17172	0.06272187	326.17108	16675	13195	13186	12644	8309	0	9986	21132	9373	6837	4577	11857	9869	0	11801	3824	18677	15910	19322	9098	17502	18027	15515	14917	8619	2139	2059	6035	21683	8065	17294	15062	28795	18136	13411	20551	19823	12299	23645	11042	12012	20292	0	0	0	6011	6823	0	22324	11185	12115	10654	11885	0	12428	5524	5476	22582	11609	10387	8429	7281	9327	11730	10959	11036	15890	26457	3060	4097	4200	15906	23671	15642	0	19373	0	9910	13454	9239	10400	4225	9466	3279	7913	8910	11754	10681	14860	20873	14922	18964	32556	7794	1942	0	13541	13658	5530	4055	6396	13654	8152	12556	5628	17535	8646	0	9198	17260	Peptide	0.33333334	1.5333333	0.2
12	C15 H23 O5 N3	326.17105	326.17154	0.078531094	326.17108	12494	7756	12242	11259	4015	5842	9629	17323	4841	6118	3725	7387	5269	2256	12391	13832	16241	7732	10224	9573	4757	17456	13670	17907	13811	1873	7728	0	13847	10872	14445	13721	13359	14676	5652	14381	16882	11491	17439	5762	8375	3841	0	0	0	8733	3505	0	16790	11658	7368	11800	6044	0	6439	3500	3949	15977	8473	7385	0	2565	3722	5014	4586	5276	6795	21666	0	4037	2447	15223	12321	11552	9369	12238	0	11286	10986	0	9966	5222	10219	5647	3286	4128	14419	7140	6604	33953	45444	27623	31007	5813	6558	0	9463	9733	3533	2983	2010	16601	9340	10555	0	21262	4216	0	9988	6501	Peptide	0.33333334	1.5333333	0.2
8	C15 H23 O5 N3	326.17105	326.1716	0.15935954	326.1711	43611	47433	42652	46791	14489	19156	33133	99282	15973	35262	20568	26179	21510	8875	71384	58273	42841	265832	37054	39469	37692	65085	42201	123474	34845	8131	26708	27817	45945	40822	78152	52292	48434	44689	44468	46556	55112	32809	46752	44060	40154	19223	0	0	0	40296	33867	0	56795	85910	46372	48496	17969	0	29145	9196	14798	48887	27697	23970	61529	25916	23299	17445	12164	24842	19693	45813	12147	26952	16479	42400	42486	41102	33822	42036	0	28889	40055	43970	27624	22686	28575	21513	15760	14428	38640	23954	24556	67920	199451	88866	93245	23066	37662	0	48474	39155	13836	10908	12036	45304	31467	46182	8750	44462	13381	0	36373	29651	Peptide	0.33333334	1.5333333	0.2
6	C15 H23 O5 N3	326.17105	326.17163	0.14644288	326.17108	53331	58239	50166	51068	21882	24730	36025	60692	25894	47642	25906	30122	29656	11653	46824	56412	45199	36030	47245	61719	58801	72572	40164	70970	44572	15214	31740	36064	52736	45909	55615	61449	71688	53796	64364	54913	63775	40019	56969	54414	49510	21757	0	0	0	58606	53231	0	65711	53254	50543	51097	22990	0	36887	12634	17075	69214	33644	29715	60878	32444	32442	25900	16149	34852	28074	66730	17178	42138	29727	50672	49461	51519	37789	45804	0	35703	38154	40298	33614	31921	31324	30929	16938	19450	42316	31504	31442	94843	162567	105824	117039	36243	46978	0	53491	47528	14215	11867	15874	58324	32843	61659	27911	66218	18655	0	35216	41562	Peptide	0.33333334	1.5333333	0.2
16	C15 H23 O5 N3	326.17105	326.17136	-0.046807874	326.17102	2457	3153	3683	1926	1905	2106	1437	4531	0	0	1877	2568	0	2621	3252	5908	2904	3542	2790	0	0	2993	2556	4710	4016	0	2422	26731	3046	2173	2445	4236	3418	4475	0	3495	4345	2055	2532	0	0	0	579	0	0	1131	1869	0	4603	3049	0	2796	1573	0	0	0	1273	8378	0	0	0	0	0	1702	1676	1478	4037	4283	0	0	0	3051	4293	5228	0	2792	0	2653	4074	6207	1883	0	0	1413	0	1155	3392	1703	1413	0	21205	13264	0	0	2651	0	3694	2581	0	0	0	3713	2644	0	0	0	1522	0	2769	4066	Peptide	0.33333334	1.5333333	0.2
14	C15 H23 O5 N3	326.17105	326.17145	0.036309343	326.17105	6995	3613	6938	5637	3447	5339	4475	6368	1475	2171	2084	4529	2543	0	6749	8138	6918	3481	5002	2749	0	6537	10304	8696	7445	1344	6236	14081	7833	6350	8292	9095	11355	10802	3359	11474	8187	6769	7507	3811	0	2818	0	0	0	3126	0	0	6792	6283	7844	4008	3595	0	2207	0	1603	12628	0	0	0	0	1890	1235	2163	3718	4775	9961	0	0	0	7447	9932	9750	8459	7549	0	5674	7752	0	5150	1391	5001	2713	2123	0	7456	5240	4324	18073	34481	11998	20386	2785	2420	0	4393	5462	998	1534	2476	9259	4109	5661	0	11470	2082	0	8076	3214	Peptide	0.33333334	1.5333333	0.2
2	C15 H23 O5 N3	326.17105	326.1717	0.17439555	326.1711	62258	61866	54283	55187	34649	42446	38927	71945	36531	34298	25318	41770	42960	20030	55732	37340	66548	55298	61839	46125	58822	79112	56743	60372	33805	13991	18109	27137	74919	44568	62844	57722	100372	58208	59412	61973	82444	42903	76727	46659	47563	36965	252	0	0	34079	36851	0	64397	44612	54110	54814	37992	0	50158	17755	20854	72922	33807	29524	40042	27367	48915	43115	20735	48652	51330	94473	18067	30972	32871	54379	57649	58480	22559	46169	0	44883	49848	42392	38631	22862	28120	19856	29341	26703	52126	46973	50187	117525	88986	91262	142239	33029	21573	0	61267	58427	21967	19887	21110	63104	47522	59455	24411	76832	24344	0	43517	56101	Peptide	0.33333334	1.5333333	0.2
10	C15 H23 O5 N3	326.17105	326.17157	0.12626575	326.17108	31938	52752	27809	57904	10051	12914	21513	29695	9519	16385	10880	39846	10769	3792	27115	82026	26456	15993	20805	26532	19385	44514	23425	43873	28725	5926	19780	19795	29916	30661	31522	60382	35341	29290	17747	56800	41287	44410	30408	23574	15163	13397	0	0	0	27458	19993	0	30038	29375	30620	28068	12292	0	15904	5521	8647	97374	16834	17682	41645	12194	11137	10465	7990	15814	12343	78290	0	12532	8715	57656	56692	27033	22868	26433	0	42930	29201	30193	22666	15243	15877	9545	6971	8615	29226	18250	15189	62715	142957	62081	70551	16842	24631	0	22753	58696	6981	7116	7381	34920	43850	36135	0	67732	6723	0	29271	16930	Peptide	0.33333334	1.5333333	0.2
22	C20 H23 O3 N1	326.17508	326.17554	0.3237363	326.17517	6990	9610	8266	6761	4312	3374	4429	4862	0	7797	22586	6736	0	4901	3327	10628	7470	3647	3372	6795	9363	12432	3420	8637	6672	49298	3379	15529	5859	5026	3798	10656	5175	9130	6751	6500	6455	3228	9761	13297	27172	4793	0	0	0	8277	15765	0	5947	7519	8749	10201	4329	0	0	1474	3717	8645	4532	13681	6918	8259	0	1418	1951	3237	8500	9619	35119	22020	45952	2467	5429	4464	6522	5948	0	3443	5461	16646	3054	7276	3973	15005	2298	2589	6640	5775	5665	21352	12249	9707	15665	20450	16213	0	6865	7481	0	3506	2623	5178	5461	9650	5272	7130	1875	0	6921	0	Phytochemical	0.15	1.15	0.05
12	C20 H23 O3 N1	326.17508	326.17554	0.097107716	326.1751	4765	3460	2881	4216	1811	2191	0	1865	0	16881	12277	1011	0	2095	1596	3232	2779	0	1652	20207	19843	0	1312	3108	2757	40002	2054	9420	2767	2379	1495	2481	3382	1381	11372	2211	3195	1248	3139	9478	4537	1082	0	0	0	3499	5526	0	3277	1682	5970	6543	0	0	0	0	973	1549	0	0	0	1629	0	1277	1132	0	2536	0	24294	39115	36733	2658	2007	1180	2486	2706	0	3355	0	0	1633	0	0	9033	1466	0	2357	2006	1409	10917	7015	0	6438	5197	10499	0	3433	3475	0	0	0	1941	0	0	0	3171	0	0	1323	0	Phytochemical	0.15	1.15	0.05
8	C20 H23 O3 N1	326.17508	326.1756	0.14008541	326.1751	3726	2665	3066	4489	0	1403	930	4315	1330	11404	11007	1804	0	1058	1252	3921	1706	1041	1972	20184	16838	1731	1647	4165	2191	28599	2058	11029	2472	3889	2743	3766	4183	3254	16843	3041	4931	1753	1684	7367	1895	922	0	0	0	3819	4574	0	4443	2373	4286	4115	847	0	0	0	0	4095	0	782	3626	2241	0	0	0	0	2004	6174	13814	24450	29420	3397	4909	2787	2493	3533	0	2151	1367	0	1876	0	0	6814	0	0	1374	1333	2197	5763	0	0	7174	2427	11432	0	4670	3452	0	0	0	7130	2224	0	0	5888	0	0	1120	0	Phytochemical	0.15	1.15	0.05
18	C20 H23 O3 N1	326.17508	326.17548	0.21380898	326.17514	5267	5639	4262	4785	1192	0	2046	2266	2283	8721	15538	1812	1698	2261	0	7231	2522	0	0	7242	7895	5099	2326	4108	1602	33797	3914	12293	0	1971	3371	2585	3430	0	5538	3247	2032	1571	7064	7765	18947	1875	386	0	0	3841	5383	0	3357	3399	6079	6496	2196	0	0	0	2067	4734	1221	6024	3489	4753	0	0	1210	1983	3055	5375	29028	26655	47495	2108	2403	2773	6050	0	0	2370	4770	9086	3577	2261	3564	9892	0	0	2981	3900	2048	17954	6142	8890	9142	7502	9266	0	4685	3526	1187	0	0	2356	1910	4340	3522	4254	0	0	4609	0	Phytochemical	0.15	1.15	0.05
14	C20 H23 O3 N1	326.17508	326.17554	0.14541984	326.1751	0	3151	3058	3115	0	2182	0	2346	0	5617	10807	0	0	0	0	3852	0	0	0	14451	14899	0	0	4447	2810	41040	2333	9269	1903	2283	2828	0	1928	2594	4010	1836	0	1197	2639	4780	7769	0	0	0	0	1568	5009	0	1786	2011	0	0	0	0	0	0	967	1671	0	0	0	0	0	0	1086	0	1582	3832	14857	25726	32095	1194	2719	0	2595	1294	0	2257	2061	0	0	0	0	6092	0	0	2253	1676	2079	9748	0	0	5882	2415	5595	0	4487	3116	0	0	0	4253	0	0	0	2093	0	0	1562	0	Phytochemical	0.15	1.15	0.05
10	C20 H23 O3 N1	326.17508	326.17557	0.13183056	326.1751	2431	3941	3428	4085	799	1252	1243	5122	0	16201	14565	2055	0	2411	1506	3914	3804	0	1458	26877	24635	1292	1474	6064	1075	48749	1624	20806	3283	2730	3023	3025	4377	3632	14435	2894	4652	1652	2158	8929	5745	1543	0	0	0	2696	3605	0	4334	3586	5325	4070	1909	0	0	0	904	3314	0	0	0	2184	0	0	1503	1332	1761	4732	26157	37141	43752	4536	5081	2885	2591	2255	0	3061	2077	6463	1640	1081	0	8864	0	0	2805	2631	1877	11483	0	0	9018	4982	14604	0	5975	5010	0	0	0	3181	2592	0	0	4686	0	0	2602	0	Phytochemical	0.15	1.15	0.05
20	C20 H23 O3 N1	326.17508	326.1755	0.24255046	326.17514	9419	5471	7186	10404	2727	1301	4010	2598	0	6579	12062	4310	0	1881	2407	11445	9375	2316	0	8475	13593	11950	2763	8528	5482	46398	4493	14542	3960	6471	3425	6662	5246	5964	7480	3284	6284	2742	9804	10412	28218	3245	0	0	0	7670	18428	0	6504	3559	11579	6511	2193	0	0	1225	3305	8603	2792	11892	9425	5230	2356	0	2150	3121	5431	14148	33578	31901	50357	5167	6441	4106	7036	6207	0	3436	8258	13656	2923	7501	6864	10218	2211	1248	10655	3494	1715	30148	7955	10864	19838	16569	7090	0	9143	6777	2240	2273	2735	6587	2991	7612	5121	6096	0	0	10553	0	Phytochemical	0.15	1.15	0.05
24	C20 H23 O3 N1	326.17508	326.1755	0.2709812	326.17517	3089	4813	3627	4479	3576	1266	1579	6313	0	3902	15931	2668	0	893	1945	4629	3863	0	1681	6887	10325	5544	1961	5930	2428	33416	0	17529	2911	5651	3277	3796	3513	3265	3105	4554	3149	854	2496	7097	19230	3490	0	0	0	5352	6148	0	3953	2668	4686	4775	1243	0	0	0	1070	4402	7320	6342	3382	8891	0	1201	1120	1829	4825	3465	26925	9548	14834	4254	4173	4241	2428	4660	0	2658	3372	11365	2662	4635	2549	10045	1393	0	2905	3650	2555	8749	3044	5389	3824	9874	7201	0	3790	3349	2238	2418	2476	4469	3370	9173	5982	5324	3033	0	2880	0	Phytochemical	0.15	1.15	0.05
16	C20 H23 O3 N1	326.17508	326.17554	0.20222077	326.17514	4144	5462	2634	2432	9256	2449	0	0	0	7073	9894	1935	0	4268	0	3842	4208	5228	15781	6407	10868	2145	0	4211	2705	25924	1239	8911	2625	2538	1249	0	3946	2486	5489	1565	4533	0	6133	7418	10410	14580	0	0	0	3429	5300	0	4147	1901	4704	3662	10954	0	0	0	3650	4037	0	3142	0	1256	0	1230	3740	3206	11486	8879	24936	18082	31788	2002	1512	1485	3676	1882	0	1137	3707	3638	2434	1683	0	6861	0	0	3202	5807	13107	0	0	3160	0	2558	6118	0	2297	4964	2666	0	0	2555	1345	0	0	0	0	0	3559	0	Phytochemical	0.15	1.15	0.05
10	C13 H27 O8 N1	326.18094	326.18152	0.25360602	326.18103	3092	3409	3655	4278	1932	1807	0	0	932	0	5199	0	1331	1529	2903	0	2068	3587	1906	0	1460	0	4158	0	8322	0	4250	10475	1865	2303	0	0	2203	1179	1641	3370	0	2272	0	6677	6032	4027	3255	1848	3644	9417	17267	1228	0	2660	2811	4283	1098	5270	1589	2054	1196	1483	17818	0	0	10032	4961	2475	9084	3619	3685	0	0	0	0	0	0	0	0	0	4605	744	0	5756	1939	1386	0	0	2574	5056	2784	0	1033	1955	0	0	0	0	2380	1569	4118	5565	0	875	1273	1488	0	5018	672496	0	2087	2019	3365	1481	A-Sugar	0.61538464	2.0769231	0.07692308
0	C14 H23 O4 N5	326.18228	326.18286	0.039598387	326.18228	1928	3351	1660	1717	0	0	1387	1566	0	0	1544	0	0	0	0	0	2980	0	0	0	1209	0	1922	2080	1442	0	0	11197	2455	0	0	0	4076	0	0	0	1680	1293	4311	0	0	2381	0	0	0	0	0	0	2982	0	0	1682	0	0	774	0	0	1675	444	700	0	0	0	0	2691	0	0	6808	0	0	0	0	1509	0	0	2345	0	1376	1419	28067	0	0	0	0	0	0	1152	0	1709	4646	0	6008	2847	1696	0	0	0	0	685	0	0	1782	0	0	0	2023	0	0	1544	1544	Peptide	0.2857143	1.6428572	0.35714287
14	C21 H27 N1 S1	326.1937	326.1947	-0.32976738	326.1936	0	0	0	0	0	0	0	0	0	3984	3393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17713	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2976	24381	0	0	0	0	0	Organosulfur	0.0	1.2857143	0.04761905
12	C21 H27 N1 S1	326.1937	326.1947	-0.32031626	326.1936	0	0	0	0	0	0	0	0	0	5590	3909	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17197	0	0	2060	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8992	25088	0	0	0	0	0	Organosulfur	0.0	1.2857143	0.04761905
6	C17 H27 O5 N1	326.1962	326.1968	0.16898534	326.19626	85173	91468	88145	89515	34988	37152	89830	124021	30396	119343	42581	58044	40499	22485	66281	107386	79675	46684	60214	135169	129060	123322	59152	109135	69236	56674	105242	39070	115141	97056	109405	118278	161602	102730	155115	110028	141135	51049	90646	87604	61275	32207	0	0	301	81769	71172	0	148964	96245	90065	89782	33675	341	39108	19654	18377	125900	16540	27769	108038	45044	40700	24860	17596	43021	43125	97037	49107	137994	92168	104175	95272	102527	66906	97511	0	65434	46465	38417	37850	26787	32174	45554	25063	26585	64562	34796	49894	121376	146753	123678	141536	56973	104720	0	85965	77564	17607	21632	21837	134700	55278	111974	33166	101508	21065	0	50324	53275	Lipid	0.29411766	1.5882353	0.05882353
0	C17 H27 O5 N1	326.1962	326.19687	0.055018082	326.19623	6850	6430	6819	6671	1324	0	7450	12316	1111	4602	3152	8815	0	0	7518	36511	12691	3221	2821	6618	10456	11085	5549	9132	4226	5443	2511	2204	10602	5085	9503	9264	9991	11561	9726	14583	8964	8843	13019	6532	9442	4689	0	0	0	4220	5733	0	11924	6249	6782	6406	2729	0	2378	1384	1823	13953	6693	8042	6378	5840	0	2078	4743	0	5424	11939	4775	5051	5464	9534	13314	11464	3271	11000	0	6931	7942	5307	6003	3759	7326	5081	1620	2459	7255	3032	5072	16207	7533	11910	14597	7766	3800	0	7398	9450	961	1404	1506	6276	5705	7146	4847	8484	1345	0	7980	1627	Lipid	0.29411766	1.5882353	0.05882353
2	C17 H27 O5 N1	326.1962	326.19687	0.17666636	326.19626	104294	102787	83575	87267	11547	23435	68147	188681	13660	69457	33942	80114	17306	9679	87932	220697	96440	21820	28578	95087	86117	106313	63922	163614	113052	24404	68020	27597	169684	184286	200530	187535	118807	156265	84118	184490	110160	73020	119196	75857	64960	31268	553	0	331	75910	70434	0	185406	141219	90080	96758	20441	231	17292	7715	13063	246741	28721	29265	214296	36080	14523	15878	14670	20875	38583	132632	27497	52705	49164	161674	169523	197547	107574	167698	0	93503	57746	57005	49559	30750	37591	35944	11695	18623	63269	27781	36374	143300	111271	112736	142027	60631	105999	511	99346	106959	9904	8898	11258	106787	76144	136718	36953	116902	8894	0	154698	17814	Lipid	0.29411766	1.5882353	0.05882353
12	C17 H27 O5 N1	326.1962	326.19672	0.20565687	326.19626	41626	42162	40821	47380	25672	23580	40760	71492	21150	40873	24236	36770	25702	14654	41613	62096	79588	41535	53903	66789	86580	66853	53721	63162	46928	69308	29811	31905	66675	50569	59498	48729	66186	45330	63330	54825	54744	39262	89667	52384	42155	33509	627	326	389	57108	56188	496	66903	57173	50699	45010	26986	581	36200	30561	22270	65861	25513	46430	45483	33706	32062	23354	18233	37733	35318	75854	42277	68767	70877	42889	45215	46754	48630	54898	208	41942	60123	53290	63305	35928	33383	34305	33451	25325	70063	28372	35276	115414	55923	58724	98001	42089	50019	566	49742	59808	24605	34348	49886	59966	33242	36338	23199	64591	30473	0	60864	30722	Lipid	0.29411766	1.5882353	0.05882353
4	C17 H27 O5 N1	326.1962	326.19684	0.20309256	326.19626	127020	135557	121071	119159	23742	32686	96050	298661	25068	104983	39379	89628	35659	15454	87776	186700	232120	41933	55569	133201	115608	163992	82552	168600	76124	42776	93726	34650	151399	125837	208643	154228	185606	132121	155008	150492	182749	83081	272221	101624	69167	51812	0	377	0	107000	92848	0	240722	295413	128890	104278	39996	248	33214	15446	23716	196092	32331	27518	177080	49539	30825	28745	16526	43568	47879	262258	41381	99902	73776	236226	139936	152383	169418	142859	0	107744	83711	57447	82522	40468	52770	51636	26866	27245	86281	59739	66338	131718	179605	161746	183347	62664	120771	876	111741	143377	16420	18670	20412	169349	90194	197629	58622	154339	16071	0	84897	37731	Lipid	0.29411766	1.5882353	0.05882353
8	C17 H27 O5 N1	326.1962	326.19678	0.19161117	326.19626	90610	93395	83354	85509	25688	35051	48636	112035	26351	99075	33729	61894	31545	14252	57917	126687	80033	42214	57811	112734	106650	130943	59083	124412	68721	49532	57416	33795	124453	97443	97744	117000	119523	98448	128770	100351	118224	52899	87294	93080	57839	38009	584	0	398	84599	68184	0	142984	92794	85667	83634	35295	252	29405	16056	18851	130144	10516	34154	103894	34962	30137	24350	22919	39185	40366	90841	47318	108480	83585	108714	90515	94945	76254	107783	237	67585	72670	46868	52927	25485	28444	47880	24208	18347	96267	39857	47260	192087	143631	118932	185794	53555	90681	417	88021	78586	16830	20032	19536	97214	56843	106755	24100	103301	16729	0	76060	41538	Lipid	0.29411766	1.5882353	0.05882353
8	C16 H27 O4 N3	326.20743	326.20798	0.17264709	326.2075	15094	16913	13725	14590	3161	3955	7090	10704	3012	5024	5705	4569	4376	1735	7492	13381	8987	2633	4121	8347	7072	10697	4674	9115	7934	3365	5443	21501	12135	7993	8741	13993	15183	10814	6998	13269	14772	5632	10852	6571	2597	3344	0	0	0	5068	3635	0	14971	5796	13790	16235	3714	0	2435	1363	1816	12502	0	0	8291	1255	2124	3180	0	3736	3184	11127	0	2977	2783	6875	5403	8387	8143	10626	0	5839	6302	61387	3731	942	746	3081	2382	0	6187	4352	4240	11756	642284	236938	17253	12438	7145	0	14778	15727	1435	1329	2712	12418	3664	7819	0	11646	0	0	6159	8461	Peptide	0.25	1.6875	0.1875
2	C16 H27 O4 N3	326.20743	326.20807	0.13661398	326.2075	7957	7026	5548	6736	4387	0	6221	7694	3491	4851	3388	4634	3478	2348	7898	8760	8042	3879	4976	3975	5376	10617	6878	10631	8215	2067	3384	12122	8639	6933	8743	8073	10279	7901	7140	8010	8566	5849	9125	4949	4927	3981	0	0	0	3389	3760	0	8973	6467	5812	7109	3727	0	5743	1789	1796	9858	1301	810	7969	3085	3446	3339	2452	4383	4878	8109	1791	3914	3244	6827	7111	6529	5035	6068	0	4489	8848	37592	5433	1236	2469	3140	2451	3041	10599	3483	4720	33765	28605	21523	33988	5969	3806	0	6316	7917	2708	1384	2129	7533	5252	5549	1897	10749	2340	0	7390	4023	Peptide	0.25	1.6875	0.1875
6	C16 H27 O4 N3	326.20743	326.208	0.16563876	326.2075	11587	15523	11653	11423	3884	3940	7598	14062	2797	9033	4738	5087	4015	2963	8577	11672	9481	3903	7322	10749	6854	10033	7150	14433	9901	4536	5629	13833	16301	13715	10395	18397	20110	7033	10809	16327	10977	8256	12076	6298	3101	3121	0	0	0	5180	3804	0	14975	8170	12809	12641	4569	0	3940	1782	2091	14961	0	0	10496	3643	3710	3055	1403	3957	4096	11422	4627	6834	13572	7233	5993	10524	6808	13268	0	8286	6914	61654	7328	947	1571	3403	2373	2514	8428	4414	5817	16444	260436	77645	22801	11630	5467	0	10946	12533	2466	1221	3050	14385	7994	7578	0	12731	2344	0	7249	7669	Peptide	0.25	1.6875	0.1875
4	C16 H27 O4 N3	326.20743	326.20804	0.1222246	326.20746	10406	11331	10528	10347	3784	8114	3023	7417	3187	4704	5551	3707	5934	1653	3692	7965	6200	4637	6377	6370	6027	7917	4159	7408	6189	9164	4667	17578	5802	5365	5358	7060	8388	5800	5167	5499	7020	4638	8303	4764	3911	3449	0	0	0	5775	6010	0	7394	5347	10191	8837	3837	0	5466	2314	2340	8278	650	571	9024	3694	5104	3849	1861	5529	3330	9797	5540	7134	4526	4364	4566	5694	6239	4840	0	4604	5553	273740	3951	2658	2642	3869	2650	2639	7502	2871	4239	10176	312234	90216	17782	16989	6974	0	9340	12157	3530	2526	3689	6701	3993	4765	0	6481	3030	0	5226	5734	Peptide	0.25	1.6875	0.1875
10	C16 H27 O4 N3	326.20743	326.20798	0.22518633	326.20752	9531	7837	6350	5235	4741	6535	3669	8862	2637	3091	2461	4617	1237	1354	4491	7920	11355	2975	4872	8424	3923	5336	4972	10329	7004	7906	5690	4238	11215	8201	9015	15135	17067	13340	6699	11686	15316	3627	14844	4270	1397	5170	0	0	0	3029	3215	0	18553	5889	6131	9678	5202	0	1839	1131	1251	12455	0	0	9200	1359	1063	1780	2616	2209	3703	12499	0	10488	12093	5955	10056	7876	7108	8638	0	4157	4073	12313	3398	0	1783	1703	1667	2074	4709	2812	7108	10473	51330	15381	13597	3739	4426	0	8187	8855	4012	1188	2835	14464	5423	7206	0	8944	2408	0	6443	3289	Peptide	0.25	1.6875	0.1875
10	C21 H27 O2 N1	326.21146	326.212	0.16815011	326.21152	0	1575	1240	0	0	23674	0	3090	0	2558	3187	1005	0	0	861	3394	0	0	0	1797	2799	0	863	2997	2463	4260	1237	0	3074	4214	0	4418	2439	3886	0	3137	3210	700	1083	0	0	4146	0	0	0	0	0	0	3306	2813	0	1771	0	0	0	0	0	1544	0	0	0	0	0	0	0	0	975	2058	0	0	1918	2127	4261	2102	2530	2427	0	1549	0	0	823	0	0	1380	0	0	0	1109	894	3543	0	0	3383	0	2197	0	1265	0	0	0	0	3135	2068	0	0	3352	0	0	0	0	Phytochemical	0.0952381	1.2857143	0.04761905
18	C14 H31 O7 N1	326.21732	326.21786	0.35606536	326.21744	0	0	0	0	0	0	0	0	0	0	0	0	5270	1545	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5988	5042	5043	0	0	4942	0	0	0	0	0	4690	0	0	996	0	0	0	0	0	35505	0	2358	49310	0	0	0	0	0	0	0	0	0	0	5287	0	0	0	0	0	0	0	0	2064	0	0	0	0	0	0	0	0	0	5273	1769	0	0	0	3567	0	0	0	1637	0	0	5914	0	0	Lipid	0.5	2.2142856	0.071428575
10	C14 H31 O7 N1	326.21732	326.21783	0.17901771	326.21738	12443	9634	10514	8012	31374	10241	6578	7355	6945	8644	15003	4683	12788	10074	6868	6095	12865	12211	5962	10940	11953	9124	6822	6990	6675	6895	13668	26799	5859	6802	5143	3873	4962	3227	12308	4767	5961	3603	8790	12132	14887	9382	14387	12713	19503	14901	27582	10685	4186	7302	11773	9933	16786	34116	9623	13536	9121	4674	41733	14920	19143	22758	0	3880	10077	14849	6644	9582	16336	8973	10406	4165	3864	7920	2253	2732	17639	3195	3398	38395	3672	4701	4771	5098	8750	9116	2393	7240	2951	9033	4857	9165	9609	5872	9449	10585	12197	14016	11265	4838	8471	11913	4363	10429	459799	5886	15005	11850	3906	9233	Lipid	0.5	2.2142856	0.071428575
14	C14 H31 O7 N1	326.21732	326.21802	0.3567655	326.21744	0	0	0	0	0	0	0	0	0	0	0	0	1323	2853	0	0	4507	0	0	0	0	0	0	0	1186	1510	0	0	0	0	0	0	0	0	0	0	0	0	1602	0	3132	1276	4656	4506	3481	0	4883	4153	0	0	0	0	943	6209	0	1071	1358	0	5588	0	0	2337	2054	0	10244	3782	3884	3054	0	0	2509	0	0	0	0	0	3882	964	0	0	1779	1091	0	0	1048	6141	0	3263	0	0	0	0	0	0	0	3872	0	0	1275	0	1285	0	0	0	72738	0	0	5079	0	0	Lipid	0.5	2.2142856	0.071428575
2	C14 H31 O7 N1	326.21732	326.21802	0.15745267	326.21738	1856	4234	2350	1992	1828	0	0	0	7051	16081	8991	0	868	11392	517	0	0	1161	847	0	675	857	0	0	869	0	0	28040	1646	0	0	0	0	0	6557	0	0	0	0	3600	0	10023	0	0	0	727	973	0	0	0	3094	3135	1158	0	6205	0	19232	0	478	0	699	1367	1010	5108	3342	5026	20877	805	0	677	0	0	0	0	0	0	0	0	428	12271	0	0	0	0	0	1309	0	3836	2614	0	0	614	0	3209	857395	0	2080	2452	623	0	0	0	0	905	40691	0	0	0	0	1166	Lipid	0.5	2.2142856	0.071428575
0	C14 H31 O7 N1	326.21732	326.21796	0.15861163	326.21738	74323	69532	80983	71531	0	0	0	0	0	422701	509628	0	0	0	0	0	0	0	0	24244	29620	56125	0	0	0	0	0	1875077	0	0	0	0	0	0	352855	0	0	0	0	1300	1109	0	0	0	0	0	1741	0	0	0	76139	62937	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5045020	0	3726	0	0	0	0	0	0	0	0	859041	146863	0	1240471	97333	0	76104	78930	452	0	0	0	0	0	4842	0	0	0	0	0	Lipid	0.5	2.2142856	0.071428575
16	C18 H31 O4 N1	326.23257	326.23303	0.2290385	326.23267	5435	8248	6811	6426	0	12538	1372	4402	5519	8135	1915	1153	0	3057	0	6600	10214	0	0	0	2735	4373	2391	4280	2890	2981	2549	0	3007	11222	6254	10306	23990	3955	14816	10180	4523	2886	7930	2441	2781	11931	832	1123	0	5471	13217	3349	21967	18768	4863	6401	0	5112	0	1426	2950	4820	0	27581	0	0	3522	0	922	4543	6300	20056	0	0	6485	3366	3627	7641	6698	11730	0	2256	17692	0	4411	1544	0	1825	0	2011	9436	9642	1789	0	24554	4167	0	9238	23951	0	5519	5661	2118	0	6742	12833	0	0	0	12092	7315	1203	0	17621	Lipid	0.22222222	1.7222222	0.055555556
12	C18 H31 O4 N1	326.23257	326.2331	0.20038661	326.23264	6501	4775	5005	7218	1766	4396	15736	16027	0	7424	2973	6028	0	2410	3381	6595	4521	1407	2670	6106	5413	0	3092	5329	11331	2685	21969	0	13739	10803	15173	14653	13943	12029	8804	12058	12041	4430	6299	1987	0	3237	0	0	0	2560	0	0	18447	12373	5503	6499	2864	259	1533	0	1859	17165	0	0	0	0	0	1912	812	2679	3146	8450	0	8801	3061	13316	10707	13360	6163	13977	0	8610	3202	0	1040	0	0	3686	838	0	25186	2398	4907	9804	32497	3127	6009	0	4120	0	5624	5504	0	0	0	6906	6428	4343	0	9669	1395	0	3542	0	Lipid	0.22222222	1.7222222	0.055555556
20	C18 H31 O4 N1	326.23257	326.23303	0.2758568	326.23267	28196	21816	25661	25173	15082	47898	20501	21001	7287	38966	6125	4754	6047	18698	6309	40367	32476	17617	9983	13913	24714	14365	5161	20591	6292	12858	25120	9454	22354	39215	13837	35421	60602	19022	20326	29717	24436	6211	24605	15465	20081	50966	6165	671	520	31979	35655	1098	90331	94721	20700	21908	11157	11945	5073	5378	7681	22189	2392	86529	23142	3200	26855	3338	7965	50280	12931	47758	10266	7514	18299	16254	14882	22591	33558	44061	1250	5825	22828	18503	9601	4521	19489	13531	13814	22298	71470	33144	10671	92756	76225	19333	33763	20538	65443	1324	24946	24736	8709	7086	17612	24654	5540	11447	5801	24420	21647	0	9467	84527	Lipid	0.22222222	1.7222222	0.055555556
6	C18 H31 O4 N1	326.23257	326.23315	0.18099567	326.23264	18303	18176	15001	17065	1608	5623	18785	43143	1473	9906	3855	14877	888	1081	12287	32422	27807	4256	8420	16182	10788	14176	9256	23304	20487	2897	17933	4906	26642	27516	33572	29897	29194	23831	13463	29025	32620	11634	36200	6297	2336	11979	0	0	0	9557	5205	0	45984	29753	16984	20949	8014	0	1306	591	8640	38806	0	0	30018	3000	1226	1462	2791	3470	13206	41799	2441	10725	4343	37400	19180	26264	28994	20098	0	15087	14779	4810	8538	706	987	4820	1772	1426	31610	6035	11153	37268	43622	10604	32527	5868	14259	0	16137	15449	1861	452	577	33445	14323	17323	0	19401	457	0	13670	1347	Lipid	0.22222222	1.7222222	0.055555556
8	C18 H31 O4 N1	326.23257	326.23312	0.22929575	326.23267	16085	18735	15799	18682	2440	5565	20453	37642	1375	6989	5334	13612	2028	3174	14173	31037	16385	3579	5566	14174	10061	10448	10585	58662	20340	4241	27649	4776	26232	31213	28193	28759	26135	20045	13368	26804	25415	9524	21773	6678	2114	6120	0	0	0	14321	3774	0	39301	35418	17725	16064	5219	0	1694	669	3675	33216	0	0	32400	2633	0	1823	3978	3749	6060	24058	0	9677	4537	32681	22371	30093	19852	24713	0	17385	7463	4983	6063	460	0	5427	0	0	23568	5297	8623	29649	53059	6158	24047	5655	8045	0	16940	16515	0	874	0	23296	13914	13563	0	19787	0	0	12563	1430	Lipid	0.22222222	1.7222222	0.055555556
14	C18 H31 O4 N1	326.23257	326.23306	0.2950384	326.23267	5835	4174	3435	5892	1690	7444	3127	8317	1267	3445	0	1100	0	1967	0	6063	4233	1466	2447	4706	2808	0	1558	0	4183	1396	4060	0	6314	6805	6764	9354	16156	5343	3505	9796	5356	3332	6224	1211	0	2984	0	0	0	2940	0	0	14140	11568	2790	2436	0	402	0	919	843	8238	0	0	0	0	0	0	0	3493	1772	8346	0	1947	1494	3747	4517	4656	13952	6661	0	2252	2315	0	0	0	0	961	0	0	14979	2153	1778	43883	29348	2624	10246	0	5528	0	4208	4005	1620	0	1149	6216	2363	0	0	5784	0	0	1349	1869	Lipid	0.22222222	1.7222222	0.055555556
10	C18 H31 O4 N1	326.23257	326.2331	0.2308659	326.23267	12379	14702	14109	9197	2475	4643	25083	27759	1925	12512	6313	13447	1497	3927	11609	24510	9046	3218	3454	12424	9678	7492	9876	13922	28442	2774	17967	7167	19548	21502	23893	19282	21320	15754	11987	19263	25041	9466	12561	5501	0	4402	0	0	0	7503	2530	0	29427	26785	13800	13256	2702	0	0	1281	1667	26391	0	0	19295	1401	0	1952	2435	4333	6574	15268	0	7655	4581	18393	16351	20451	23738	14388	0	15835	8951	4840	3483	0	0	5223	1001	1951	234892	5703	6307	73234	115186	10221	15852	5467	9642	0	14891	13116	1561	761	0	17470	11728	8663	0	11580	815	0	11771	1243	Lipid	0.22222222	1.7222222	0.055555556
4	C18 H31 O4 N1	326.23257	326.23325	0.20861366	326.23267	19966	20124	19410	19798	568	4745	19568	52815	1111	11231	5438	25817	0	1394	17345	43203	41183	2895	5612	16051	13137	16734	15690	30315	22836	1988	21046	4724	38407	36623	40153	43052	34831	36670	18044	44416	33914	15476	36805	8146	8346	12794	0	0	0	12005	13582	0	54430	49232	20249	18869	5721	0	722	0	2769	37700	669	920	39631	4876	708	1236	3383	4488	9930	50139	1867	3717	3021	35690	37808	47037	49260	31974	0	25358	19591	10033	16779	2999	4174	5383	1200	3007	23826	8787	13159	30414	32343	10984	28847	8112	18435	0	19994	23051	838	0	456	32810	18886	28154	3878	20898	371	0	20979	597	Lipid	0.22222222	1.7222222	0.055555556
16	C22 H31 O1 N1	326.24783	326.2483	0.288784	326.24792	0	0	0	0	0	0	0	3949	0	0	0	0	0	0	0	19975	1927	0	0	0	0	0	0	6716	1616	0	0	0	0	20573	3658	0	0	0	0	0	0	0	3203	0	0	0	0	0	0	0	0	0	0	5634	0	1641	0	0	0	0	0	1650	0	0	11496	0	0	0	0	0	0	0	0	0	0	0	0	6353	3578	2770	0	0	0	0	0	0	0	0	0	0	0	0	3770	118151	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.045454547	1.4090909	0.045454547
10	C19 H35 O3 N1	326.26898	326.26947	0.2976078	326.26907	4354	6591	4258	4903	0	0	2022	9295	0	0	0	3646	0	0	2845	18108	2076	0	0	0	0	0	21068	361178	3763	0	1890	0	1436	1989	5416	3356	0	1762	0	2707	0	5753	1266	0	0	0	0	0	0	35075	0	0	7269	13659	6185	3013	0	0	0	0	0	13401	0	0	19247	0	0	0	0	0	0	6083	0	0	0	11807	1351	1954	1731	1843	0	4324	1821	0	12780	0	0	0	0	0	1446	0	0	1533	0	0	0	0	0	0	3485	5187	0	0	0	0	4372	0	0	3438	0	0	8066	0	Lipid	0.15789473	1.8421053	0.05263158
14	C19 H35 O3 N1	326.26898	326.26947	0.28407437	326.26907	1571	0	1942	0	0	0	2494	9668	0	0	0	1898	0	0	4234	8285	0	0	0	0	0	0	10423	208089	4362	0	5590	0	0	3497	6357	0	0	0	0	0	0	3137	0	0	0	0	0	0	0	14574	0	0	3154	15487	0	2093	0	0	0	0	0	2287	0	0	0	0	0	0	0	0	0	0	0	0	0	9968	1102	2922	0	0	0	2112	0	0	8496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3816	0	0	0	0	0	1699	0	0	2455	0	0	3057	0	Lipid	0.15789473	1.8421053	0.05263158
8	C19 H35 O3 N1	326.26898	326.26947	0.116641745	326.269	3895	3464	4372	2847	1128	2442	2516	6532	681	0	0	1571	3439	2077	3135	10546	2489	0	106407	0	0	0	3967	180086	6056	0	2781	0	0	1150	2991	2052	1177	20978	0	2181	2290	2241	1988	0	0	2224	0	0	0	13367	0	0	2906	8401	4349	3809	2872	0	0	1081	1633	3988	0	0	6089	0	0	0	4513	1157	2122	2077	0	0	0	16935	2279	1760	1506	0	0	2746	5091	0	2453	0	0	0	9789	6607	11442	3848	11544	2450	0	0	1390	0	1038	0	3736	5576	0	2292	3841	0	1454	0	0	1719	0	0	4076	13513	Lipid	0.15789473	1.8421053	0.05263158
16	C17 H10 O7	327.04993	327.05048	0.35698655	327.05005	10256	12841	14174	17149	24760	10514	3038	2146	21653	15978	14823	5851	30103	13456	7563	8156	4829	36770	37787	14176	10039	23349	13033	3875	5824	0	3753	4223	2937	2570	2144	3789	7063	1890	26496	2392	5933	7902	1548	5174	8090	9893	1225	0	328	7961	10008	467	4742	1234	11943	15860	19472	258	23747	17411	11817	9238	4357	3216	9860	4617	33007	21667	11439	28555	11531	6592	4363	2027	5351	2846	1705	0	2265	1514	0	2496	18495	17002	14755	7748	3133	5039	20709	13913	20139	15685	11820	0	3264	5483	0	29011	26268	0	15845	8830	18497	21517	19361	6702	4587	5545	6728	0	13821	0	8255	36555	Phytochemical	0.4117647	0.5882353	0.0
14	C17 H10 O7	327.04993	327.05048	0.37649652	327.05005	8729	7758	7982	8629	14456	7137	2791	0	15648	14152	10448	3950	18822	8005	4446	2482	2546	24514	20968	7059	8039	20289	7242	0	2312	1496	4039	0	1517	0	1087	0	2610	0	19371	0	3083	3798	2760	7281	10626	5093	0	0	236	2850	0	0	2666	0	6818	8029	9350	0	16458	11214	6998	3938	0	0	0	5321	22104	19231	7101	18411	8533	1470	0	0	5612	1308	0	0	2512	1351	0	2279	10864	0	8142	4006	2328	2840	14922	6112	12155	9030	7953	6098	5328	7277	7430	28616	29797	0	10480	7162	11519	17321	17244	3031	3994	2644	0	4979	12526	0	2845	19762	Phytochemical	0.4117647	0.5882353	0.0
18	C14 H14 O7 S1	327.0533	327.05377	0.26989666	327.05338	3645	5140	5509	2157	8862	9612	0	1894	10327	9465	5646	1474	29203	3509	2547	3856	0	22985	16175	4512	3710	17496	1144	2716	2219	1423	1882	6381	0	0	0	2527	4347	0	13815	0	4020	1945	1527	7339	4217	5216	0	0	0	1565	1689	0	3392	1464	5883	5152	10110	0	11864	7947	5384	4349	4269	1681	1938	6427	9647	8673	4332	11452	5312	2033	3784	4714	5043	1460	0	0	0	0	0	1091	2031	9410	1501	2395	2552	5129	4800	5303	4165	5578	5413	5068	7663	15925	5058	10882	17740	0	3468	4181	4257	3392	6353	3061	0	4041	0	3914	8167	0	1798	14364	Organosulfur	0.5	1.0	0.0
12	C14 H14 O7 S1	327.0533	327.05386	0.3532462	327.0534	7214	9013	7377	10862	9951	5845	0	0	12128	34022	29457	0	14691	3765	0	1689	0	10842	9999	12256	15297	44442	1486	0	1125	10999	0	15988	0	0	1013	0	0	0	35489	0	2279	1580	1486	18509	40603	1739	0	0	0	3265	7485	0	1988	1014	5023	8705	8403	0	11041	8509	4667	1708	0	10137	0	23924	8579	5383	2170	9481	3569	0	22184	20945	39527	0	0	0	0	0	0	0	2266	38127	0	6969	2148	13755	7401	2784	2054	5074	5337	0	14601	17965	2087	46625	48167	0	8667	7562	8733	9638	6836	1737	0	0	0	1920	8494	0	1354	15246	Organosulfur	0.5	1.0	0.0
4	C14 H14 O9	327.07104	327.07175	0.29663908	327.07117	5746	6180	3573	5261	12493	4744	1018	826	14826	3027	4488	1844	27770	4544	2325	2080	1701	13103	14871	1645	4819	5911	4340	1939	488	372	954	0	0	722	1259	1000	2360	977	4252	697	2330	1525	1533	1662	2453	4377	0	0	345	1185	2719	0	1756	1172	4250	5241	8612	322	15973	22119	5499	1514	1685	1727	1777	0	28628	17027	5816	17263	4116	2062	1883	0	1935	998	1069	1360	0	948	220	1391	4099	0	3760	1039	684	0	17832	5773	3568	4612	6265	2600	0	953	2310	3565	2447	515	4807	5995	14252	35409	30093	1595	2134	1759	0	2247	15560	0	1413	29436	Phytochemical	0.64285713	1.0	0.0
22	C15 H18 O6 S1	327.0897	327.09015	0.36234626	327.0898	3651	6900	2287	4342	6474	10323	1360	1846	5144	4962	2380	0	5305	8192	2023	4790	2919	10401	8207	8117	8508	8012	0	4478	4073	3100	1848	3821	2305	0	2794	4359	3407	1930	6867	2688	3355	1170	2665	5257	4057	4347	0	0	0	3218	3910	0	1666	1557	5383	2013	5188	0	6034	4260	2796	4785	4854	2589	3697	6108	1463	2481	3245	9324	7625	3936	4021	5904	3008	1215	0	1348	1776	1679	340	1151	3186	4350	1213	1236	4296	2952	4348	2084	3560	5878	2858	4935	21823	14752	10093	3528	7182	0	4978	2940	5999	3002	3170	3050	2334	4042	3147	2221	7222	0	2839	5360	Organosulfur	0.4	1.2	0.0
18	C17 H14 O5 N2	327.09753	327.09805	0.32056683	327.09766	7502	8328	5391	10693	5996	4204	7284	3314	4650	19310	14227	3053	3025	3793	4016	11549	8189	4435	8060	10699	10292	13561	3527	11864	5380	15858	4039	10863	5073	4008	5320	0	10020	0	9242	3817	10833	5754	10030	15927	27875	7282	354	0	0	6695	15690	0	4710	4449	7962	8979	6814	0	4317	3853	1872	6169	3634	14303	8496	9719	5143	6627	2095	7349	8479	15609	15121	17155	36919	4574	2838	3068	7702	0	0	5047	7846	21956	7935	9852	4473	14029	4205	4338	11124	4996	3921	24152	9034	13103	13934	21555	21282	0	11257	8343	2313	5417	6690	8774	5134	8170	6244	9181	2292	0	11415	5288	Phytochemical	0.29411766	0.8235294	0.11764706
16	C14 H18 O5 N2 S1	327.10092	327.10144	0.2310509	327.10098	10491	7446	14206	9546	5958	7816	11429	13594	0	4063	7530	18552	0	1782	16996	31352	51253	6307	2850	7774	6987	12900	13866	38281	22324	0	15756	6890	11607	12547	10771	5952	15477	14283	5724	9094	15587	13410	36721	14391	25411	10462	0	0	0	15011	23365	0	21919	15132	14450	8970	10468	0	0	0	4086	17421	22136	71404	26782	18151	1916	1354	5339	4059	12525	24096	0	2559	3089	12511	9207	4516	11904	6122	0	9741	18543	17241	12007	15969	34880	23073	0	4630	21904	13753	8143	0	17672	29217	0	13983	29926	0	11205	11922	2540	0	0	15778	9193	29356	20584	35096	3548	0	28007	2104	Peptide	0.35714287	1.2857143	0.14285715
12	C14 H18 O5 N2 S1	327.10092	327.10165	0.31166327	327.101	8177	9998	5374	7215	6070	4376	4097	7709	4787	6616	2690	2428	5156	2159	3938	8627	9203	6091	7555	5051	6654	17220	7501	7938	5774	3351	3802	0	2845	3336	4814	5025	11237	4436	6964	3447	6927	6592	10416	10700	16940	4036	0	0	0	11802	9456	0	5362	2578	8242	3929	7058	0	3723	2002	2132	10762	7921	15552	0	8040	3848	4158	2258	2993	5172	10429	0	3892	8784	4277	4809	2837	6872	4826	0	4548	8953	0	5161	8255	8911	9203	1811	2503	9522	5798	3825	13005	16441	24059	19928	12111	11258	0	8300	11290	3323	2474	1735	4959	3605	13102	0	10304	3555	0	5679	7413	Peptide	0.35714287	1.2857143	0.14285715
0	C14 H18 O7 N2	327.11868	327.1194	0.18978986	327.11874	6395	6695	6646	5306	6668	0	0	12683	4986	3156	0	3079	11428	0	2533	0	2257	11360	11231	3939	7006	8328	4259	11709	2227	0	0	690	11601	5287	9114	10719	13792	12784	4221	14652	15535	1820	2461	3815	2179	8713	0	0	0	3646	0	0	13929	8497	5783	6499	9548	0	7168	4750	2699	14565	2056	1301	3813	0	17314	9645	3442	13352	12665	2277	475	1696	0	8071	14484	8648	0	10907	0	3264	1854	0	0	700	0	0	3732	2122	1815	5926	11937	2050	5315	5044	10349	1504	0	0	6283	8167	2822	3932	3835	6989	2396	5092	953	14643	2417	0	1811	21207	Peptide	0.5	1.2857143	0.14285715
10	C19 H18 O5	327.1227	327.12323	0.16957788	327.12274	44888	43548	41046	36978	24552	15939	33160	52142	25490	37206	31087	32518	19816	14271	30052	50842	37705	22889	30495	47295	52393	62821	34673	78247	35980	57290	31801	22155	32891	35831	32558	41299	37009	27702	53453	37997	36935	34485	40718	36680	47110	20783	4016	2680	3241	54847	47584	3095	36860	37254	45099	45526	19629	2407	27240	24976	17632	61998	38590	44644	59102	25640	24812	24913	18210	22167	18042	46040	52477	62183	81086	30256	32522	29862	34861	44392	2855	27722	57192	25111	52755	41301	35088	29530	30110	19307	45750	16428	23497	107858	22538	32789	89734	25718	32573	4044	40740	44863	27494	24214	28214	35520	34044	37626	29730	51265	22017	1664	55712	26650	Phytochemical	0.2631579	0.94736844	0.0
8	C19 H18 O5	327.1227	327.12323	0.109343596	327.12274	21783	21233	12575	20875	10815	6646	14429	18093	10721	18073	12452	13846	7800	8037	15544	25786	17398	9868	12087	24164	19356	28777	16357	27006	19305	17854	17191	11525	17249	17507	14690	16937	16227	16256	23659	17791	13403	15436	21369	21807	18749	8723	2884	1609	2161	19501	15662	2326	20593	18676	20612	20903	9267	1772	15135	9229	11618	26193	11306	19410	19930	10375	9960	8257	6480	9501	7523	23707	18804	26380	33549	13868	18626	15632	12250	19712	1716	11493	27449	10202	22960	21843	16980	16751	13033	7889	27388	8541	11721	91410	0	16200	45050	11672	15866	2998	21161	21763	14471	13791	11559	13116	14702	16682	10589	22373	9542	1364	33188	9321	Phytochemical	0.2631579	0.94736844	0.0
6	C19 H18 O5	327.1227	327.12323	0.033833258	327.1227	217970	245330	198307	251687	129577	103149	136104	257201	184686	144617	143762	200216	169827	46798	205357	276524	303538	237536	264007	217859	219176	298197	246497	347008	102168	32201	131210	62601	231939	202721	233863	225027	311830	220057	258187	219628	291274	207388	382946	172075	300283	177358	4729	1398	1933	172644	293045	1836	254157	257561	220389	262044	157765	1946	234677	112798	128841	246706	234194	265747	264420	151492	222919	189661	114223	178143	208816	439002	41023	50053	112568	220977	205072	235874	180667	220038	1718	150356	175542	81902	142648	105394	118032	67354	133294	119050	160136	233301	219358	439822	88661	208594	465610	132904	163165	3061	211112	205112	108385	132410	119402	337831	210589	245338	148148	300002	116371	1417	143865	320372	Phytochemical	0.2631579	0.94736844	0.0
2	C13 H18 O6 N4	327.1299	327.13058	0.24173637	327.13	9067	6830	4565	7095	7845	0	3679	6326	8431	2679	4530	7733	9889	3006	6817	988	10768	9236	11721	3109	5079	10573	8317	7366	2478	0	0	1528	5357	3695	7140	5614	9889	4755	5322	4252	9336	5099	10559	2879	3855	6427	0	0	0	2278	3465	0	5730	3503	5618	6672	8123	0	10349	4455	5065	7074	3135	5267	2319	1909	13146	9711	5360	10781	8395	14889	0	825	878	5489	6396	3563	648	4565	0	3705	5860	0	4861	2743	2189	886	6617	4884	7339	11167	9077	24822	3819	5452	19679	3134	356	0	6539	7541	4994	6260	5348	6487	5740	3761	2562	11866	5808	0	5511	17279	Peptide	0.46153846	1.3846154	0.30769232
20	C18 H18 O4 N2	327.13394	327.13437	0.27514824	327.13403	7250	11564	8412	12622	4558	6624	7856	11178	3630	13560	27678	4926	0	13632	6270	16228	13384	3130	0	8840	14294	11916	5058	13776	8774	26682	8974	16006	7792	4884	7232	8400	11004	6766	10488	0	10096	6676	17774	20128	40810	7670	966	0	0	8982	13136	0	10612	6034	11366	16258	7660	0	0	3080	4110	11836	4022	16110	13000	11858	0	0	0	3638	4404	14354	32068	21782	62770	7606	7028	3516	6900	6052	0	4514	11484	20214	8270	11108	7404	0	6158	5680	14166	11644	7192	29398	18926	8008	11234	21528	14048	0	8116	6748	6618	3512	3020	17684	8492	11894	8080	14282	4298	0	9008	3570	Phytochemical	0.22222222	1.0	0.11111111
24	C18 H23 O2 S1 Na1	327.13892	327.13928	0.42618117	327.13907	0	0	2045	0	0	0	0	0	0	26826	8801	0	0	0	0	0	0	0	0	2848	3076	0	0	0	0	0	0	36087	0	0	0	0	0	0	12013	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	84616	0	0	0	0	0	0	0	0	5934	0	0	0	1578	0	0	0	0	0	0	0	0	0	33348	0	0	0	0	0	Organosulfur	0.11111111	1.2777778	0.0
8	C16 H22 O7	327.14383	327.14453	0.22068743	327.1439	165089	178109	134570	165408	212324	165892	138668	212998	264600	262856	168466	258322	139287	118030	315446	440618	360628	281962	181219	365984	168148	377896	355050	442822	243418	82677	273324	79136	187634	361964	158697	176674	184610	139384	158680	175382	359012	143945	207857	116744	245512	229380	5694	2641	3815	327412	163701	2995	392536	182693	172583	169704	209690	3375	425892	127994	97758	388652	322910	156198	222606	89367	281802	312270	73824	232552	109217	376998	103599	107915	128366	305944	329724	336186	261374	180736	2465	256830	445774	89268	351804	123010	162664	82265	277334	170872	185259	86109	235552	208676	119933	323654	239471	105321	146249	5516	172508	190922	208040	290764	151364	380268	243398	231299	81344	309536	234440	2772	139288	292592	Lipid	0.4375	1.375	0.0
12	C16 H22 O7	327.14383	327.14435	0.19362742	327.1439	1445706	1690296	1670064	1585192	1248500	1013788	1310856	1706890	700659	1424878	970720	957370	1384432	324499	1367016	1972776	1456430	1952832	2110316	1961840	1709366	816532	1465886	1729936	1240858	1089516	1274042	449992	1952124	1476918	1406638	1799542	986432	1506148	884843	771330	1760046	1317898	810192	1284698	1121770	1185174	19120	6203	5963	620554	1027738	6528	1954836	1404006	796869	1587364	1247006	7291	2303768	1150270	945292	1896652	1426186	542474	1017167	877096	1786962	1571064	713224	778211	1189702	731909	486092	1721230	1335470	652794	721890	739823	1456870	1634878	3533	616827	755847	388673	1334052	483105	1314706	883696	1246424	1003252	1535470	911386	1237054	1583632	1387658	1744902	1989522	409237	1249612	13333	1662716	1745622	1087864	1197396	1290092	1850300	1130728	884067	381094	1413132	1191858	5037	1104226	1859384	Lipid	0.4375	1.375	0.0
10	C16 H22 O7	327.14383	327.1444	0.20885138	327.1439	420948	713432	361877	354764	536872	519158	659478	514060	660382	639294	431486	299447	779600	290488	714454	552169	380400	857382	466746	950880	400995	413053	760126	1080706	633132	524172	306161	198426	938136	452360	390965	844498	494169	681800	755574	442050	475599	344510	450116	581150	278063	583912	13696	5304	6733	374807	311761	4813	486224	425386	783882	404776	309621	6228	560503	627634	398584	544234	399458	333371	1074382	190974	323980	748174	332588	685090	264444	424510	269101	736826	629554	749018	376999	400028	383293	432848	4703	292528	465562	199845	389583	264077	366962	365528	714854	480874	442426	229157	290325	802328	293811	378882	1070582	488166	666582	10919	809232	431414	489096	676714	718282	469070	285490	499546	221070	383523	576336	4947	324313	814036	Lipid	0.4375	1.375	0.0
6	C16 H22 O7	327.14383	327.14435	0.21238258	327.1439	64014	57995	48955	61672	59194	63060	91912	75516	44180	86876	70880	44351	48134	22605	55240	77415	65204	49780	63869	56370	56858	67508	114014	150462	73084	50062	91740	62874	66245	72033	59199	63377	71204	92250	51644	80107	64720	106426	153048	31600	45983	79010	4052	1946	3838	63813	69756	2616	75290	137592	105030	110026	70724	3899	68699	44967	34328	154724	60222	66122	72623	67986	47917	44372	46948	86564	41658	76913	39578	32222	45936	48942	116420	70774	37414	60511	2478	44977	116242	51050	108158	91776	105562	49306	98990	38938	61385	57986	40900	155416	63406	109492	81987	37873	47218	3829	56918	60211	30765	45457	59324	72461	50756	157648	50465	57024	42789	2666	43957	49635	Lipid	0.4375	1.375	0.0
10	C15 H22 O6 N2	327.15506	327.15558	0.16393453	327.15512	203609	193298	188399	172565	83652	92508	166829	306536	96749	166457	83415	158820	100593	42401	213872	288112	187070	171711	167556	217693	166656	280253	188502	306993	194307	28661	185653	74111	274041	244099	247403	276551	310825	237033	214766	258274	325353	184460	215882	208961	154103	103144	3130	0	0	212768	150695	0	271185	229103	198338	202381	107065	555	156659	51969	67769	276521	274105	160392	309333	111253	95576	105882	71422	119576	112127	216873	50868	89916	60163	254363	233096	259098	171945	238452	0	171906	158302	93942	157960	140164	192762	85043	70776	86361	154699	123728	132218	239339	198053	286342	371673	121125	188603	1200	198099	211041	68509	55654	60518	266715	166290	280958	106097	243971	75374	0	176853	139681	Peptide	0.4	1.4666667	0.13333334
12	C15 H22 O6 N2	327.15506	327.1556	0.17663755	327.15512	149547	147021	158155	148982	66727	81419	141245	200300	79246	108843	40512	95994	72280	33497	145567	185685	127896	139772	143766	150986	126730	217297	140642	195358	154422	25444	101296	52301	185222	150982	169116	196532	223714	174846	153745	187273	242701	123125	151992	148126	97175	86770	1806	0	379	147386	92209	0	206221	165162	152149	150234	86661	941	128424	45285	61382	211331	192520	104899	187884	94886	74081	86352	47412	96893	88345	137843	22155	87923	47152	176416	160211	172195	115250	164873	231	135227	109238	57254	100951	89357	125749	60818	54778	62483	118212	83489	98867	202752	207768	259378	305357	72455	108804	937	139458	153957	50138	37905	45531	202777	111021	160866	70687	188293	57369	0	114817	121075	Peptide	0.4	1.4666667	0.13333334
0	C15 H22 O6 N2	327.15506	327.15576	0.09027418	327.1551	15618	17747	16492	17928	14161	18927	7558	27829	16426	10028	6193	15132	17714	7208	12256	4300	18618	22404	25437	12095	25706	25413	16858	17708	7077	2353	2329	5005	31067	12198	23091	21313	43307	32122	23103	26827	30458	13205	27848	15563	12657	23431	0	0	0	11499	7724	0	27434	15115	19442	19133	17016	0	18973	12018	8244	28891	14023	14590	10704	5586	22599	20344	15949	20495	24177	27650	2328	6595	3618	24544	33155	19049	2577	26773	0	13901	12473	3768	8418	4653	8493	3497	11046	8447	9542	17679	22827	20187	17529	24017	39101	8240	3207	0	16677	21374	7018	8676	11270	21279	9597	15812	6494	28173	13215	0	10501	32103	Peptide	0.4	1.4666667	0.13333334
14	C15 H22 O6 N2	327.15506	327.15558	0.19950102	327.15512	69477	67272	65914	72035	39359	46848	67207	93886	31872	48053	25310	42939	47038	19065	66845	87966	62933	71095	57204	63747	47947	96837	52323	109434	70531	14779	50838	23892	87180	74791	79563	83094	101817	90584	57280	80212	117042	54298	62593	68261	51752	52284	0	0	0	68732	49521	0	91452	78985	64079	65432	45383	3343	53239	19740	28721	114559	85678	56328	84835	40176	36582	40153	23055	54968	46781	64064	0	36094	24573	76729	72481	77690	56085	70985	0	58046	56190	30944	46352	36234	58819	33920	23896	28578	59344	50475	58457	79897	102530	125396	149857	37503	51501	552	64442	64504	20939	19143	22525	99568	56070	84567	21798	96641	26734	0	54441	58671	Peptide	0.4	1.4666667	0.13333334
10	C20 H22 O4	327.1591	327.15958	0.050655823	327.1591	26843	28409	16804	22219	13849	9687	23569	36180	14891	18583	15255	19867	10506	8761	21639	29008	32385	11684	17286	24853	23058	23577	19936	34306	19995	30623	27123	14186	22660	26420	24444	27047	24163	17929	19767	31708	19297	22411	31406	19375	20429	13114	3879	2462	2692	21010	24933	3881	21412	29152	25138	27697	11859	1919	15442	15078	12878	30837	19243	26823	29602	14212	10328	13763	9719	9882	9105	33910	28107	27175	35126	23807	19273	27240	30799	30583	3105	15901	27766	13641	30130	21138	27464	14499	16839	11054	28757	10013	15988	38547	16697	21012	23544	15052	22974	3483	24942	24231	12532	15534	23270	23416	20071	25723	17634	21967	12198	2804	26528	10709	Phytochemical	0.2	1.1	0.0
14	C20 H22 O4	327.1591	327.15958	0.1672849	327.15915	153323	144473	130888	134909	73685	60979	136202	158400	89322	122139	103608	113337	76744	59726	116748	155119	176682	80358	95221	143446	147844	139613	119358	166262	117304	219971	135243	86796	107920	129610	118703	153136	145099	98781	128328	137503	113297	118517	179327	116574	150660	75459	4696	2241	2799	103968	141772	3900	136007	143966	137150	135438	82597	2194	92171	79310	79615	170660	119366	150643	145576	79022	95695	77374	64231	79894	73897	199207	190884	192528	250544	94890	104307	127167	159305	145452	2736	95869	171522	93618	158251	102933	131886	96975	110063	74579	163249	71359	95679	253208	119628	107668	181696	92228	103839	4035	132125	132413	81175	124005	123106	132794	108783	164542	67177	131532	90647	3106	142690	68299	Phytochemical	0.2	1.1	0.0
12	C20 H22 O4	327.1591	327.15958	0.124909334	327.15912	82886	78706	79573	69037	32320	26805	64189	71026	37664	53081	48251	51863	25324	23217	44282	83758	81529	27120	39827	65983	58441	86065	48331	74583	50600	74616	77216	39706	52642	64747	57372	72193	57367	45808	56243	56602	53079	57739	85045	49596	83029	33964	4045	2606	2527	59236	72826	3595	65151	73901	72948	71708	33017	2314	43252	38482	34549	78270	47549	64753	89002	42985	25282	30705	26766	34515	25583	86733	63448	79553	100197	46935	53764	65776	89755	62412	1924	45264	75758	39824	70742	51658	58391	39810	46470	34928	61833	26013	32162	141245	62334	58197	74210	40644	72947	3535	79918	74785	35870	50060	52934	66838	49893	80762	37967	59500	37277	2238	65285	33126	Phytochemical	0.2	1.1	0.0
26	C17 H26 O4 S1	327.16245	327.16278	0.3768014	327.16257	3301	3896	2367	0	3282	0	0	0	0	5367	3878	0	0	0	0	0	0	0	0	4627	6590	9549	0	0	0	0	0	3351	0	0	0	0	1806	0	4753	0	1840	0	2765	6614	3317	0	0	0	0	0	0	0	0	0	3795	0	3467	0	0	0	0	2970	6255	3168	0	3429	0	0	0	4034	2317	2631	0	2081	2740	0	0	0	0	0	0	0	0	0	0	6237	2616	4042	0	0	2957	0	0	3369	23739	25436	0	4363	10665	0	0	0	0	2304	0	0	0	5150	0	0	0	0	0	2421	Organosulfur	0.23529412	1.5294118	0.0
8	C13 H26 O9	327.16495	327.1659	0.11336857	327.165	3600	3012	3582	3397	891	1394	3282	2778	1497	1876	15185	2031	1484	0	3613	4523	4117	1131	1501	1478	1103	2980	2372	4516	3073	0	1642	102006	1941	2989	2547	2551	2239	1307	2252	2292	2294	2246	4267	0	1461	1314	1502	0	0	0	5300	0	3102	1947	2603	3441	1106	0	1652	497	4248	3392	12495	1577	0	5234	1344	2103	0	1770	2840	3550	0	0	0	3346	3340	6905	924	2649	0	4984	3464	9644	1642	1965	2169	745	0	0	3529	2008	977	12296	0	10892	11539	4770	0	0	4709	2436	0	725	0	2356	3801	0	313174	4723	0	0	3194	972	Unclassified	0.6923077	2.0	0.0
2	C14 H22 O5 N4	327.1663	327.16693	0.112732075	327.16632	15128	16301	14195	14202	12707	19157	12473	18217	13642	5890	5294	12834	17951	5879	17166	6211	17950	14713	16107	6259	9428	19119	16789	23740	10990	0	3754	10927	20444	12311	18693	16858	23986	17868	10015	18295	22751	13743	20553	6904	6255	18887	0	0	0	7511	5029	0	19399	12669	14863	15829	13377	0	16011	5604	7186	21795	9027	5442	10861	3987	10821	12628	7348	19846	15539	22960	1174	2842	2556	15507	15268	15278	3755	15365	0	11201	14543	35816	12169	3077	5044	2655	7191	10359	16739	15176	14224	42132	28440	20184	43602	8312	2198	0	15190	13538	8500	5996	7800	16317	12701	9402	4228	27451	7486	0	13512	16757	Peptide	0.35714287	1.5714285	0.2857143
0	C14 H22 O5 N4	327.1663	327.16696	0.004709288	327.1663	6665	6541	8269	6865	7397	9664	4741	9724	8993	2181	2166	5929	10567	0	6603	0	11546	8574	9184	3039	5120	7458	6917	9254	4690	0	0	9749	12377	5270	10047	9516	18934	10410	5958	7014	9314	5853	13682	0	2346	10574	0	0	0	3656	2128	0	8748	4249	6971	5252	9308	0	10063	3036	3864	11492	3371	2914	3955	1296	8624	6782	5616	11226	13229	15262	615	0	0	9133	9127	6592	0	8367	0	5557	5796	28452	4819	993	2542	0	4705	5433	5708	7955	9191	11841	23437	9119	18834	6015	0	0	6968	7914	4662	2973	4394	5064	5028	3647	1427	9562	8482	0	4698	13367	Peptide	0.35714287	1.5714285	0.2857143
4	C14 H22 O5 N4	327.1663	327.1669	0.11922392	327.16632	7889	6766	6077	6786	4733	4534	4647	6546	7378	3253	2562	4084	13670	2140	8263	8263	9539	6666	5667	3861	3526	10612	8295	9693	6526	383	3289	66295	7106	4417	6069	6013	8162	5313	6902	5738	7384	8329	11643	3656	3248	3707	0	0	0	4716	3722	0	6799	6372	7323	6583	4471	0	9247	3551	4363	9785	6641	4127	6296	2737	4480	4840	3167	8188	3092	8581	0	0	0	6496	4514	6352	3561	4377	0	4410	8454	19903	6115	2618	4129	1245	4533	4776	8358	4530	3543	14863	18325	16009	23333	5900	3507	0	6899	7237	3704	2871	5156	4826	5528	6424	0	8240	4782	0	6602	8743	Peptide	0.35714287	1.5714285	0.2857143
6	C14 H22 O5 N4	327.1663	327.16684	0.053395316	327.16632	6148	5893	4774	6346	2430	4095	4121	5399	2809	3635	4015	3765	2435	834	4031	9944	5943	2077	4532	2798	2623	5765	5809	9009	5175	718	4624	47555	4383	3858	5747	6073	6377	5366	3617	4294	6791	5089	8713	2032	4106	2814	0	0	0	4260	3336	0	8721	5776	5567	6454	1999	0	3588	1618	1921	8233	2692	2790	5414	0	2215	2006	2249	3346	2158	8030	0	0	0	6402	4547	2419	3413	4133	0	3939	5537	7830	4665	2191	3200	0	2001	1993	7982	3804	2540	18190	40153	16099	16485	4361	3109	0	5294	4668	1973	1443	2337	7445	3772	4667	0	7224	1441	0	7348	2556	Peptide	0.35714287	1.5714285	0.2857143
8	C19 H22 O3 N2	327.17032	327.17087	0.21555898	327.17038	9064	7721	7717	8665	2610	4321	4421	13156	1132	19603	13437	6599	0	2603	5239	12675	9702	1501	3101	25768	23447	5090	5903	14007	6607	21366	4464	18757	9416	11002	9644	9785	10985	11716	17529	11251	10923	4227	11756	11681	9411	3553	0	0	0	9939	9646	0	12081	13047	8649	8575	2065	0	0	1103	1369	11814	0	2681	8606	6372	1586	941	1978	2469	4532	14177	13038	24278	25089	9280	10477	8529	10016	9082	0	6659	7861	10791	5452	994	0	12400	0	0	5322	4725	4951	17225	16637	0	19249	9000	16326	0	8772	8404	1172	0	0	9639	5659	6727	0	11554	0	0	5501	0	Phytochemical	0.15789473	1.1578947	0.10526316
12	C19 H22 O3 N2	327.17032	327.17084	0.2784909	327.1704	31419	30463	26424	26183	1577	34124	2618	5391	1723	8085	8624	2517	1409	5135	2417	7782	3846	2751	6027	11810	12499	6145	4401	6267	6952	19329	2098	134111	9235	5244	6218	3522	13260	5853	9017	3637	8585	3393	3719	6221	6844	8292	0	0	0	3130	0	0	6800	2174	27580	25598	4744	0	0	1651	1572	6655	0	0	0	0	0	0	1868	0	5087	5090	0	14388	19498	3339	2693	3376	5321	4856	0	4831	2424	163368	2093	0	1804	5994	0	1461	2832	3101	5982	6923	2959922	559701	7656	24246	18422	0	20240	31445	0	0	0	5160	6614	0	0	8408	0	0	2947	0	Phytochemical	0.15789473	1.1578947	0.10526316
14	C19 H22 O3 N2	327.17032	327.1709	0.48880985	327.17047	31633	36282	29830	33360	2152	1550	0	3723	0	8016	20333	3196	0	3093	2404	6422	0	0	0	5787	6757	0	2860	4649	3117	17127	3278	103418	3449	4799	2788	0	4037	3211	2966	4808	4548	2046	5079	4116	5164	1696	0	0	0	4211	0	0	3880	3452	27795	28114	1093	0	0	2119	1389	7911	0	0	0	2406	0	3347	2019	2474	1894	5950	0	11473	20845	4827	3498	2977	4577	3051	0	2454	3858	78622	3117	0	3672	8169	0	0	0	3778	2259	7609	3774620	560408	7505	23213	31852	0	32195	21750	0	0	1306	3475	4350	0	0	4596	0	0	2611	0	Phytochemical	0.15789473	1.1578947	0.10526316
10	C19 H22 O3 N2	327.17032	327.17087	0.23673081	327.1704	6535	5476	5336	5880	4242	3366	3068	6516	2751	18022	17179	1758	8122	5217	3163	6975	5907	1186	4501	20560	22316	3636	3484	7994	3661	27153	3735	21752	6275	4996	4676	4194	6616	6672	15457	5181	7940	2489	6619	12274	8250	2416	0	0	0	6707	9140	0	8283	5380	7343	8185	2759	0	3509	3542	1773	7296	0	2557	0	4208	2519	2705	0	6553	3905	11549	15596	27566	26845	6268	3862	4348	4165	6201	0	4445	5252	7917	4736	0	945	8265	2381	634	5640	5188	4766	15884	10703	2251	11725	8807	16175	0	6124	6293	0	4268	5783	6217	3162	5293	0	7143	1973	0	4264	1582	Phytochemical	0.15789473	1.1578947	0.10526316
28	C22 H23 O1 Na1	327.17194	327.1723	0.5300683	327.17212	8103	8834	5446	6374	0	0	0	0	0	0	0	0	0	684054	0	0	0	0	2853	0	0	0	0	0	0	0	2223	0	0	0	0	0	0	0	0	0	0	0	0	0	1626	3605	0	0	0	0	0	0	0	0	8886	6895	0	0	0	0	0	0	0	0	0	0	2656	0	189576	0	3047	0	0	1281	1791	1082	0	0	0	0	0	0	0	0	0	2035	980	0	0	0	0	0	1562	0	1950	0	0	0	0	0	4607	6598	5338	0	0	0	0	0	0	0	0	0	1792	2188	Phytochemical	0.045454547	1.0454545	0.0
10	C17 H26 O6	327.1802	327.18073	0.17680044	327.18027	26621	26188	24185	27643	13693	12800	35094	39043	16051	13089	10201	20196	15110	13766	30539	50743	33019	18952	21534	18997	18189	22425	25499	31424	27652	9465	40376	8584	33109	33217	24394	27655	29310	18709	15188	74820	60188	34931	44784	9798	15599	17179	2135	725	650	19429	15054	491	34703	31352	24266	32520	11192	1027	21285	15983	11680	37763	19471	14872	39386	6260	13515	16823	12974	13414	13642	42822	7647	10275	14784	20838	21893	36364	50264	29081	0	20276	45601	14553	29126	15309	36893	18231	20604	20472	68839	11566	14514	50548	21907	23532	33599	11047	16837	0	28788	26383	18599	20744	24388	28517	17881	24636	0	23044	15137	501	31947	12937	Lipid	0.3529412	1.5294118	0.0
12	C17 H26 O6	327.1802	327.18073	0.15730378	327.18027	77867	73158	73583	72853	28271	28502	95871	79838	34092	39007	33759	43716	38347	25746	65687	129120	93305	36584	54054	59445	33302	67221	51402	81214	64110	27130	94720	22774	73128	90912	59450	92869	73062	67057	31883	85942	76591	61201	104642	27881	33497	41648	2652	1016	886	46601	40449	840	106697	81847	74727	78223	34414	985	54212	39679	29651	96387	45801	43204	92688	17320	51611	29177	31080	42877	38808	115277	19971	26552	31134	58764	67106	89985	123748	80507	492	48664	70840	36697	50273	35494	95236	59227	42156	38327	105929	31091	39041	112042	61746	77070	91379	28585	50941	1482	75500	80294	31896	44132	58938	101537	38360	75098	18889	63990	37208	765	63277	34085	Lipid	0.3529412	1.5294118	0.0
8	C16 H26 O5 N2	327.19144	327.19202	0.2327588	327.19153	20202	18797	19995	18874	12557	9396	10487	20431	13682	12611	3678	10108	16570	6465	13814	24780	10614	18333	23585	16532	13103	26957	13415	24099	20622	3169	12001	3921	20552	17426	17873	20669	31571	19379	20630	21995	29936	11465	16407	17779	9587	10716	0	0	0	14748	10402	0	24631	14430	17809	19577	10955	0	17836	6495	7042	30170	4930	5807	20276	6671	15003	10677	6033	15167	10207	15584	5691	10591	10380	15020	18340	14127	10286	15953	0	10424	21273	8212	8786	8436	6354	6856	8664	7729	24284	12449	14297	26250	49914	34946	41297	7459	14097	0	20155	17821	7468	7284	5771	25577	9204	23073	0	20730	12468	0	18362	21480	Lipid	0.3125	1.625	0.125
14	C16 H26 O5 N2	327.19144	327.19193	0.23474829	327.19153	12609	9921	7158	13488	4897	5759	5686	8608	1713	3486	0	6812	3878	6026	6563	12686	15203	10823	6386	4022	4642	11556	7286	10034	10609	0	7811	0	8872	7652	9549	12539	18194	11676	4324	13262	13591	6887	14782	7884	0	5398	0	0	0	7152	5141	0	14711	6676	7065	7071	6861	0	6098	2606	4230	17750	0	5912	0	1583	5487	2950	1883	8239	4324	17064	0	1896	2029	10166	7716	8186	11259	14876	0	5802	8803	0	5579	4207	7741	2963	2716	0	11772	6319	6924	25756	23441	26423	30125	4396	9046	0	6191	11070	3377	1623	1882	11923	7417	11283	0	13047	2808	0	10571	5318	Lipid	0.3125	1.625	0.125
16	C16 H26 O5 N2	327.19144	327.19193	0.23711085	327.19153	4643	10339	3602	4046	5153	4967	7146	9709	3380	1694	2186	4864	3571	2645	4795	13879	12923	5524	4427	2366	0	10725	3455	14211	10252	0	5207	2888	7969	7343	6653	10679	9913	6148	4354	9379	12729	5066	9473	0	2863	5482	0	0	0	4571	2882	0	9072	7280	7159	0	5663	0	2035	1580	1729	13601	1487	3647	11016	1580	2237	5173	1319	5022	4889	9733	0	2137	0	8931	6457	4973	6530	9262	0	3583	7772	14261	6520	1639	5149	1325	2703	2794	10158	4584	8264	0	27114	27028	0	4586	4603	0	10638	6150	2884	2785	1414	7089	2650	6026	6712	11793	3345	0	10426	4699	Lipid	0.3125	1.625	0.125
10	C16 H26 O5 N2	327.19144	327.192	0.2380131	327.19153	16071	14550	15727	14219	9328	8812	10446	21204	5519	9441	7972	7886	7051	4962	13083	20699	14056	10841	14476	16037	11663	25140	9462	23608	16864	3293	8421	6749	18171	10110	17607	23319	26265	14790	18091	17047	27155	9656	15645	16237	8647	6761	0	0	0	18262	9729	0	19589	15638	11897	16214	9226	0	8130	3430	3501	26906	3601	6530	19586	7104	7357	5667	3909	10475	6253	16747	0	8869	8637	18062	14682	15378	11851	16388	0	11354	11407	8527	9721	6195	7917	6082	3421	4967	17159	11499	11170	30478	78356	46001	44826	8615	9056	0	18054	14781	3456	5011	3481	16147	9616	21398	0	20610	4143	0	16790	9404	Lipid	0.3125	1.625	0.125
6	C16 H26 O5 N2	327.19144	327.19205	0.19050236	327.1915	26606	29279	29373	28155	18959	14832	18814	31510	20713	22598	5717	12951	23321	8650	23929	34943	14378	27658	31390	31353	25816	44801	19681	38976	34314	5350	16633	7901	37455	25712	30668	35391	42658	28654	37881	30892	40817	19101	22816	24563	13467	14956	0	0	0	25694	17894	0	36384	22134	27390	31706	15476	0	28455	9606	7884	46643	7922	5299	40587	11537	22596	15927	6559	21501	20726	20453	4874	15247	11064	25390	26035	28334	17116	23878	0	19440	43723	11795	12734	7973	13220	9884	12829	9891	54552	16033	20036	48633	56344	57302	68448	14616	23496	0	29200	23924	9337	9212	9631	37448	14568	37420	7949	36230	13589	0	37119	31167	Lipid	0.3125	1.625	0.125
14	C21 H26 O3	327.19547	327.19598	0.21475181	327.19556	13946	18781	13121	11398	5538	6052	17373	15419	6682	7057	9112	13620	5078	5558	12778	21548	34859	6428	7622	12776	11772	13359	9632	16755	15379	14352	23356	0	15817	19237	18368	12629	21677	8461	8231	15375	10794	10737	37981	6898	14985	7229	0	563	775	6798	12984	988	16442	16093	12249	12537	8104	469	9473	11537	11259	22401	7350	14954	20788	3235	6469	4727	8184	4344	6714	39236	0	7796	14201	8571	8524	14182	26473	16615	651	12527	25244	0	19333	9863	19352	6824	15003	10340	26351	4741	9228	40757	16009	14786	20697	7282	9161	1235	16447	18122	8432	17480	19543	18735	13244	14952	0	17962	11684	374	20838	2864	Phytochemical	0.14285715	1.2380953	0.0
26	C18 H30 O3 S1	327.19885	327.19925	0.41685942	327.19897	2807	0	3529	2168	4010	3458	0	0	0	0	0	0	0	4175	0	0	0	0	4310	0	0	0	0	0	0	0	0	2345	0	0	0	0	2068	0	0	0	2308	0	2745	2853	0	0	0	0	0	0	0	0	0	0	2862	0	0	0	0	0	0	2268	2712	0	0	0	1801	0	0	7049	13081	2593	0	0	0	0	0	0	0	0	0	0	0	10320	0	0	3750	0	0	0	2288	2561	3502	0	43778	39824	0	4703	0	0	3578	0	0	0	0	0	0	0	0	1465	0	0	0	0	Organosulfur	0.16666667	1.6666666	0.0
8	C14 H30 O8	327.20135	327.20193	0.3071993	327.20145	3499939	3600024	3268540	3233219	525323	462763	1051755	2635369	662685	2762465	3719427	297809	932518	782013	364609	2676418	669689	585383	307150	4475477	1738894	3519987	308667	2514829	218760	406735	1329990	9379670	1554031	1141384	1014581	2632939	715041	1367893	1794130	921034	658116	275871	728635	7368396	2328167	798672	1828853	109330	198308	9047725	6311280	181810	2836606	1837873	3306454	3267692	400399	464773	704496	435461	819972	2975229	4568909	4182396	21853541	5355529	2313525	1139011	332716	999074	656716	939829	17796330	6055051	8630152	2531604	987610	963729	837310	975719	181456	235913	1077081	14687030	298243	618286	555499	346133	235280	320195	215455	787683	474097	1353911	4853273	3059554	846429	2224058	5415168	184451	3342938	3135893	5080865	202104	456928	1014403	309057	8593364	41769033	493066	347819	165504	211493	1059014	Lipid	0.5714286	2.142857	0.0
14	C14 H30 O8	327.20135	327.2019	0.25428128	327.20142	7173	7660	6109	7036	5354	3278	13249	3697	2160	4968	18624	6112	3842	4370	4587	4379	4279	3194	0	3813	2507	10127	4807	0	3869	2367	12480	63121	1986	3359	3208	0	0	4592	3112	3059	0	4642	1827	6701	15521	6417	7538	6334	8728	7562	15029	6467	2763	7022	7186	6811	2620	12204	4380	4734	10409	0	31073	42411	74200	9837	6368	2477	5605	9970	10485	2969	52540	3282	4108	4630	3153	3776	2671	2487	9478	2139	1901	54149	0	4862	9470	3226	2441	3622	0	6518	0	0	3186	0	0	9485	4074	6016	4837	8005	4926	0	4617	8026	3571	14297	48696	0	2816	7160	1846	2008	Lipid	0.5714286	2.142857	0.0
10	C14 H30 O8	327.20135	327.2019	0.27919906	327.20145	24789	21470	25559	14384	9133	7847	14474	35731	9858	29446	44579	6281	22016	12678	19074	24966	15240	15264	14912	32675	26745	27865	16838	22122	19690	21470	18187	83394	15033	18305	11384	15077	6129	12795	12547	19107	6428	8814	7519	46724	32665	23426	31687	18595	40213	68195	55698	20864	13579	28474	23416	21212	10948	53781	19031	24977	11104	17164	49204	36855	260008	43314	12997	12773	10564	12788	10967	8110	259491	49321	42694	20619	7920	14698	15786	8915	44180	7519	11735	134632	8902	13953	10787	7947	18212	23305	6770	10833	9346	16282	24500	18507	10775	23700	51508	15438	27759	30090	51806	9396	20113	18431	9680	92487	392451	6388	17574	19886	7975	10591	Lipid	0.5714286	2.142857	0.0
6	C15 H26 O4 N4	327.20267	327.20316	0.1293449	327.20273	5848	4594	3701	5148	0	527	1113	6903	503	0	0	2052	0	0	3554	16347	3176	0	805	0	0	2694	5851	33348	6815	0	1790	2651	4365	1668	4463	3234	2467	3462	0	2327	2968	3372	4169	0	0	984	0	0	0	5443	0	0	6094	3666	3950	4971	723	0	0	0	555	15142	0	0	15735	0	0	0	806	0	1327	6076	0	0	0	2993	1275	0	1529	2144	0	2519	5005	7824	4095	0	313	0	0	0	7692	0	1422	29168	13558	3416	27856	955	1749	0	3184	3484	0	0	0	3579	1602	0	0	9442	957	0	8855	958	Peptide	0.26666668	1.7333333	0.26666668
16	C20 H26 O2 N2	327.2067	327.2073	0.67070216	327.2069	0	1821	0	0	0	0	1191	0	0	0	2350	0	0	1442	0	1735	0	0	0	0	0	0	0	0	0	0	3728	9558	2681	0	1506	0	0	1270	0	0	0	1133	0	0	0	0	6109	442	574	0	0	1115	1755	1252	0	0	0	1082	0	0	0	0	33108	13480	0	4585	0	0	0	0	0	0	5777	0	0	0	0	1690	0	0	1038	0	0	0	0	0	0	0	0	1073	0	0	0	0	0	0	0	0	1743	0	0	1591	0	0	0	0	0	36506	88267	0	0	877	0	0	Phytochemical	0.1	1.3	0.1
16	C18 H30 O5	327.2166	327.217	0.20968184	327.21667	7120	4368	4303	7200	3080	4255	23606	20181	0	0	0	1453	1842	5627	2898	18245	10238	2091	0	7311	0	1944	1173	7697	3072	2904	25021	1908	8204	10354	6842	14743	4671	6402	0	10548	4027	2889	14948	6242	0	14845	567	0	0	12700	0	0	24921	11279	6492	5827	1585	0	0	1392	4264	17248	0	0	9867	0	3621	0	9363	0	6463	10695	0	7856	0	11707	2109	5466	9252	9619	0	1275	2223	8013	0	1313	38119	30802	5352	13954	7375	5107	2340	0	30814	28065	0	0	4916	0	8114	12331	2078	10958	45295	3391	1575	14957	0	0	9499	0	3812	1795	Lipid	0.2777778	1.6666666	0.0
20	C18 H30 O5	327.2166	327.21704	0.21045041	327.21667	46329	52249	51703	46936	25167	34321	253882	46528	3768	11669	11908	13269	13055	97617	17773	55481	41533	17471	24010	29865	6238	14233	10108	20839	20788	58729	239741	36048	41121	42412	21455	56216	37082	37412	7814	38121	27045	17392	43100	24223	13311	63539	8793	606	369	38446	12667	560	79705	37422	45050	46684	20543	11017	7160	23782	40720	54420	7803	20105	62351	2652	38610	9239	102534	44220	59599	43803	4513	24970	7561	30857	23929	37614	38280	29976	684	11260	19660	129082	7763	21917	288782	267638	41019	84401	33010	43528	31475	50195	319816	328156	25369	15461	30895	3328	40875	45982	19846	44223	160768	29492	11709	41463	18951	24227	67583	0	20874	25013	Lipid	0.2777778	1.6666666	0.0
18	C18 H30 O5	327.2166	327.21707	0.23950036	327.21667	24724	25133	25820	28241	11456	15267	120688	43598	3554	2451	3849	8534	6504	34229	7425	34253	26415	6240	6335	20113	2366	4041	2470	10743	9293	34254	101312	17433	20527	27490	19420	31611	14728	27452	0	29903	9802	6626	36870	16914	6664	29699	4059	0	0	28550	4473	0	54333	25694	23243	20094	4444	3639	4982	7692	18158	33880	1706	7900	29958	0	16233	2386	44445	12752	20895	27322	1508	16247	0	24987	12136	19918	28463	19879	0	6384	5301	57462	5475	7663	190475	169998	18220	43002	11866	24903	13052	22015	173283	205088	9082	4170	13470	1155	26265	25405	9556	21023	66558	14841	3394	23294	2972	12458	23540	0	8020	6983	Lipid	0.2777778	1.6666666	0.0
14	C18 H30 O5	327.2166	327.2169	0.056055896	327.2166	3802	0	0	1403	1616	0	5599	0	0	0	0	0	0	1323	1190	2233	2912	0	0	0	0	0	0	0	0	1444	2595	0	0	2598	0	0	1547	0	0	0	2562	0	3930	0	0	2589	0	0	0	1453	0	0	2525	2101	2010	4407	0	0	0	1082	1461	1968	0	0	0	0	0	0	3391	0	0	5372	0	0	0	1711	0	2006	2848	0	0	0	0	0	0	0	7418	7780	1135	3398	2451	0	0	5873	13313	20856	0	0	0	0	0	2003	1020	2615	12145	0	1054	2947	0	0	2032	0	1067	0	Lipid	0.2777778	1.6666666	0.0
24	C17 H30 O4 N2	327.22784	327.22818	0.28204897	327.22794	2060	2332	1508	1765	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2202	2283	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1611	479126	0	0	0	0	0	0	0	0	0	13081	46615	6010	0	17307	5342	0	1782	1799	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23529412	1.7647059	0.11764706
20	C17 H30 O4 N2	327.22784	327.2284	0.20022671	327.2279	0	0	0	0	0	0	0	0	0	0	0	0	0	1545	0	6078	28952	0	0	0	0	0	0	1707	0	0	0	0	0	2355	0	0	0	0	0	1484	0	0	0	0	0	0	6138	0	0	0	0	0	0	2793	0	2411	0	583	0	0	0	3781	0	1842	1607	0	0	0	0	0	0	28849	0	0	0	2001	0	0	13099	0	0	0	0	10620	0	0	0	0	0	0	0	0	0	39027	7536	0	55820	1962	0	0	0	3060	0	0	0	0	0	0	0	1559	0	0	0	0	Lipid	0.23529412	1.7647059	0.11764706
18	C17 H30 O4 N2	327.22784	327.22812	0.33250263	327.22794	2272	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1911	5984	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	673	0	0	0	0	0	1742	0	0	0	0	0	0	0	0	1796	0	2560	0	0	0	0	0	0	0	23997	0	0	0	0	0	0	2243	0	0	0	0	0	1290	0	0	0	0	0	4336	0	0	24426	3781	5763	3473	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23529412	1.7647059	0.11764706
6	C17 H30 O4 N2	327.22784	327.2284	0.29710948	327.22794	2842	2194	3274	2814	0	781	2536	4724	0	0	0	1396	0	647	2831	6206	2761	644	919	0	726	0	1948	5274	6494	0	2477	0	3028	2099	4108	2427	3831	2078	1316	3655	3117	2174	3761	0	0	1059	0	0	0	1850	0	0	2022	1773	4077	2121	852	0	590	0	407	9071	0	0	10899	0	0	0	552	0	1050	5166	0	0	0	1737	2258	1087	2443	1977	0	1983	4053	0	1099	0	0	0	0	0	16443	995	958	21378	17473	2672	5444	1112	1791	0	2786	2894	0	0	0	2436	1566	1677	0	4594	0	0	4260	639	Lipid	0.23529412	1.7647059	0.11764706
22	C17 H30 O4 N2	327.22784	327.22827	0.39993894	327.22797	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2503	0	0	0	0	0	0	2368	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3473	0	0	1572	0	0	0	0	0	0	1706	0	0	0	0	0	0	0	0	0	0	0	44040	1171	0	0	0	0	0	0	0	0	6529	15228	14807	12590	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23529412	1.7647059	0.11764706
20	C22 H30 O2	327.23184	327.23233	0.2990225	327.23196	10715	12198	9691	10502	7999	4850	20650	9271	5783	5437	6072	5987	3714	8943	9144	11927	42672	3121	6273	4479	4079	3674	5704	8073	9995	9777	17750	4941	9595	12980	6866	12847	11994	7247	1941	11996	10962	10546	35060	4514	5667	11342	0	0	0	2532	8496	0	9846	8333	9896	8741	8488	0	10209	9706	8596	14057	3680	12474	10152	2309	4487	3348	6883	6803	8076	40279	7709	4775	11714	2736	6687	12001	32806	13238	0	6959	19835	9525	9303	3458	8938	0	16782	12056	26981	8728	7924	44005	8454	5705	8012	3211	3663	0	8795	10329	7278	18316	21964	16876	7923	7563	2751	8536	10791	0	14326	4692	Lipid	0.09090909	1.3636364	0.0
2	C16 H30 O3 N4	327.23907	327.23975	0.22342318	327.23914	0	0	0	0	0	0	0	0	0	0	2651	0	0	0	0	530	576	0	0	0	0	0	0	0	962	0	0	7054	0	0	0	0	0	0	0	471	0	0	635	0	0	0	0	0	0	0	204	0	0	0	0	0	0	0	0	0	0	609	0	0	506	0	0	0	0	0	0	1468	0	0	0	0	0	0	536	0	0	340	457	32035	374	0	0	240	0	0	592	0	0	1235	16626	8874	869	2272	0	0	0	0	0	0	0	0	0	0	0	524	0	0	513	0	Peptide	0.1875	1.875	0.25
18	C19 H34 O4	327.253	327.2534	0.025676973	327.253	2421	0	0	2631	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2453	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	178825	0	0	0	0	0	0	0	0	0	0	169017	89830	0	26820	5477	0	2352	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21052632	1.7894737	0.0
22	C19 H34 O4	327.253	327.2534	0.21419266	327.25305	32680	31554	29866	29610	5876	15116	96084	19434	0	2150	11178	0	0	48331	0	10059	2482	0	3761	11546	0	0	0	2056	0	15056	86388	51669	4942	6087	4916	5907	2281	2733	0	4684	0	0	5615	14931	2979	20233	0	0	286	23241	0	0	12449	10628	31595	25794	2611	4922	0	40027	116520	7460	0	2825	10315	0	9534	0	293874	6157	13132	5198	2530	24764	2163	6837	0	1830	3343	5499	402	0	0	597702	0	6558	44745	50199	87703	449487	1503	33602	8945	2870	0	526321	0	83898	29406	0	25878	37187	32115	135437	498141	0	1007	17441	1502	0	177199	0	1288	5440	Lipid	0.21052632	1.7894737	0.0
14	C18 H34 O3 N2	327.26422	327.26453	0.14043973	327.26425	0	0	0	0	1395	18633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6772	1311	0	10908	0	0	0	0	1448	0	0	0	13570	0	0	0	0	0	0	15504	37082	0	0	0	1439	0	0	0	0	0	12428	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5458	0	0	0	3844	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.16666667	1.8888888	0.11111111
12	C17 H34 O2 N4	327.27545	327.276	0.031210596	327.27545	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19735	0	0	0	0	0	0	0	0	4746	22878	0	0	0	0	0	0	0	0	0	0	0	0	17838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1194	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17486	0	Unclassified	0.11764706	2.0	0.23529412
16	C17 H34 O2 N4	327.27545	327.27594	0.20571293	327.2755	0	4501	3139	2233	0	0	0	1215521	0	0	0	0	0	0	0	5809	0	0	0	0	0	0	0	125621	34407	0	0	0	0	0	0	0	0	0	0	4558	0	0	0	0	0	0	0	0	0	4880	0	0	0	0	4626	3235	0	0	0	0	0	1640	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3064	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4291	3106	0	0	0	0	0	0	0	0	0	0	26912	0	Unclassified	0.11764706	2.0	0.23529412
26	C20 H38 O3	327.28937	327.28958	0.2787704	327.28946	2106	0	3391	3495	0	2223	103947	0	0	0	12633	0	0	38967	0	0	0	0	0	0	0	0	0	0	0	9213	98601	18444	0	0	0	0	0	0	0	0	0	2877	0	0	2637	0	0	0	0	0	0	0	0	0	3296	2549	0	0	0	0	4849	0	0	0	4813	0	5884	0	50066	0	0	0	5877	1603	0	0	0	0	0	0	0	0	0	17627	0	3797	15959	23641	0	0	3755	0	0	1853	3833	2740	0	3798	0	0	3444	0	7682	0	0	0	0	0	0	0	0	0	2813	0	Lipid	0.15	1.9	0.0
16	C19 H38 O2 N2	327.3006	327.30096	0.41940475	327.30075	0	4500	4407	2795	0	0	0	0	0	0	0	0	0	0	0	2611	2185	0	0	0	0	0	0	0	4378	0	0	0	0	0	0	0	5234	0	0	1668	12851	0	0	0	0	0	0	0	0	0	0	0	3325	0	1810	2521	0	0	0	0	0	4314	0	0	0	0	0	0	0	0	0	2983	0	0	0	0	0	0	3649	0	0	0	4276	0	0	0	0	0	0	0	8371	0	0	493997	0	0	89876	0	0	0	4077	0	0	0	0	0	0	0	0	0	0	0	3986	0	Lipid	0.10526316	2.0	0.10526316
10	C19 H38 O2 N2	327.3006	327.30103	0.17351957	327.30066	3250	1748	1870	3443	0	0	2315	2547	0	0	0	965	0	0	920	24775	10489	0	0	0	0	1572	1157	7357	6005	0	1754	0	3763	1154	3119	4173	4219	3527	0	5403	7357	1386	11577	0	0	0	0	0	0	0	0	0	20213	1371	2324	1472	0	0	0	0	0	35682	0	0	15421	0	0	0	0	0	0	11248	0	1379	0	0	0	0	42952	2078	0	0	1976	0	2156	0	0	0	0	0	2083	0	0	15090	0	0	16591	0	0	0	4160	3650	0	0	0	5147	0	0	0	14887	0	0	2432	0	Lipid	0.10526316	2.0	0.10526316
14	C13 H13 O9 N1	328.0663	328.06686	0.29457447	328.0664	4563	1888	3054	5913	12739	13674	0	3515	15969	2083	0	4102	31271	6508	2897	3316	4013	18952	17293	0	0	0	4117	0	0	0	1625	0	0	0	1687	0	3903	0	0	0	3237	2721	3172	1214	0	7085	0	0	0	0	0	0	2487	1798	2485	4050	12411	0	17384	11627	5553	0	0	0	0	2108	34614	20439	5372	17285	10030	4129	0	0	0	2147	1893	2220	3041	2153	0	3785	4560	0	2427	0	0	0	11967	3861	3697	8363	10490	6880	0	0	7607	2701	1459	0	3946	0	4936	9547	10784	8218	2885	0	0	5308	8120	0	0	41261	Phytochemical	0.6923077	1.0	0.07692308
16	C13 H13 O9 N1	328.0663	328.06693	0.28096437	328.0664	3886	5100	3242	3694	12102	5040	0	0	12930	3350	3170	5982	24240	6054	0	0	3254	13010	17860	0	0	0	5566	4680	0	0	0	0	0	0	0	0	0	0	0	0	0	2720	3844	2336	0	7996	866	0	0	0	3072	0	0	0	5808	0	10874	0	10420	8556	4192	0	2434	0	0	0	24854	22568	4238	21761	6182	0	4608	0	3672	0	0	0	0	0	0	0	3968	0	2080	0	0	0	15706	6160	0	3916	8138	0	0	0	0	2850	0	0	0	3732	5620	5134	9250	0	2414	0	0	0	3574	0	0	46490	Phytochemical	0.6923077	1.0	0.07692308
12	C13 H13 O9 N1	328.0663	328.06693	0.32310504	328.0664	6579	5945	4334	4503	18009	7685	0	1823	22097	1860	4672	4779	30666	5800	3789	3986	2925	25293	26295	0	4619	6334	8179	0	0	0	0	0	2365	1392	1255	2336	7137	0	2640	1131	6169	3565	3705	1815	0	10841	0	0	0	0	0	0	2924	1675	5791	4533	14122	0	23897	21557	7494	3387	0	0	0	2303	46937	33747	6821	22989	13636	4903	0	0	0	2950	1617	1417	3021	1468	0	3364	2562	0	1494	727	0	0	17960	6329	4593	11558	12058	0	0	0	6209	3858	1442	0	5762	5318	11503	17934	16269	9484	4715	0	0	5839	15022	0	1011	59225	Phytochemical	0.6923077	1.0	0.07692308
10	C13 H13 O9 N1	328.0663	328.0669	0.4042384	328.06644	5180	5298	5732	6735	18590	7168	1243	0	21147	2885	3826	5064	30332	4464	2230	2167	4125	21501	17566	2090	8187	4305	5857	3202	0	0	0	0	1974	1184	1817	1115	5544	1433	3958	2297	4282	1845	2759	1386	6577	9245	0	0	0	0	4005	0	2238	1913	6305	6220	12210	0	22120	18904	5397	2275	0	3911	0	3028	44481	29068	6904	24285	10312	3662	0	0	0	0	1928	1281	4731	1655	0	1831	1551	0	2519	985	0	0	15912	5398	3246	10623	10559	7125	0	1751	5577	5047	3104	0	5843	5245	11541	19515	16846	5003	3891	0	0	5585	10953	0	990	50247	Phytochemical	0.6923077	1.0	0.07692308
16	C14 H17 O6 N1 S1	328.08493	328.08548	0.34771562	328.08505	13071	3814	8327	7324	8393	10118	5055	4030	5952	15409	6712	2274	15056	4970	4637	8561	6786	16298	15729	11685	13746	29480	5197	7494	6743	8293	3782	5119	6883	3239	7100	9590	7263	6463	14878	7170	8012	4428	9101	19982	29347	5613	0	0	0	9559	8624	0	8359	3692	10154	11059	9088	0	10442	9060	2513	15810	13109	9878	6898	13841	4698	7041	1659	8958	8805	11254	8667	13651	10972	4504	5723	2636	5884	3895	0	0	6215	19533	2928	8070	7724	16173	8334	4241	7467	5828	5905	0	19362	39494	0	20525	30860	0	8764	10100	6519	10541	7292	8114	3838	9322	4641	0	10114	0	5192	14912	Organosulfur	0.42857143	1.2142857	0.071428575
18	C14 H17 O6 N1 S1	328.08493	328.08542	0.28961807	328.08502	2370	4173	3035	4284	4597	3672	4837	4750	1353	6947	4341	2009	20293	3853	5841	4372	3196	6632	3511	0	2865	7798	5148	9064	7340	2518	3819	2774	8961	2702	3554	2644	5956	5900	0	4434	4873	4047	4973	6646	7775	3995	0	0	0	0	5447	0	5945	2565	4198	4996	4436	0	5975	2999	2399	7247	4150	4759	4267	5409	3298	4630	1834	5600	4136	3891	3563	2639	4185	3182	2996	1438	5274	0	0	1769	5277	4738	3731	2383	4232	5742	3172	3491	5081	6338	3905	4908	15001	15164	10778	8986	13608	0	6309	4480	1761	5734	6996	5444	3270	5615	0	9670	2197	0	6334	6628	Organosulfur	0.42857143	1.2142857	0.071428575
24	C18 H17 O5 N1	328.11795	328.11838	0.3547001	328.11807	5582	4375	2747	4092	2506	0	1233	1637	2793	12450	12248	1520	1941	1858	1469	1649	2331	1586	0	3616	5565	4902	1630	2479	2419	9435	0	12110	2091	1338	1852	0	1780	1847	7421	1144	1711	1262	3103	13148	23971	1207	0	0	0	7621	13101	0	1336	0	4255	5235	1920	0	0	1159	0	1924	1427	3025	2847	9307	2394	2867	1126	0	3140	1930	14554	7676	28131	1389	0	0	0	1699	0	881	3269	12753	1452	5559	2623	9992	1463	0	1152	1646	1953	2219	2975	3948	2768	11679	12735	0	3498	3362	0	0	0	1515	993	1371	4648	1306	1356	0	2157	0	Phytochemical	0.2777778	0.9444444	0.055555556
22	C18 H17 O5 N1	328.11795	328.11844	0.3544577	328.11807	11123	13042	6858	14329	8056	6589	2296	5685	6687	36921	43797	1948	4955	4710	2458	8302	6750	10119	5655	25689	40636	23012	4727	7174	3075	46036	2288	37099	5351	5372	4077	0	5236	1823	34722	2692	7810	2901	3384	38166	61714	6074	0	0	433	21305	32951	0	5132	2735	11727	9413	4669	499	5075	2430	3701	3924	5125	6698	9264	29204	8530	6772	2904	5381	6193	6126	45533	52964	83677	5974	2784	2207	1963	3018	432	2562	6781	33608	5728	19931	3725	28878	7608	3168	8553	5834	6450	9225	13086	13203	7160	36000	36018	0	11245	10360	4087	6572	3072	6585	4079	7455	16926	5710	5065	0	6544	10661	Phytochemical	0.2777778	0.9444444	0.055555556
8	C14 H21 O6 N3	328.1503	328.15088	0.1878794	328.15036	36300	37785	32023	39712	18701	13699	28103	42349	24344	21698	13824	26793	24118	7595	41935	50772	34976	31048	34618	24753	28389	48254	37724	58876	31153	2316	25472	21828	38424	33196	37437	40345	43442	34123	29111	40407	44047	33490	43143	27175	25417	19138	0	0	0	32470	25271	0	47217	34460	34892	36770	21041	0	32309	11030	13811	47030	34629	26133	51065	20032	26879	25259	18199	28426	21736	44044	3880	9420	7230	33940	35343	29062	26669	34553	0	28902	33464	18348	26469	17655	23116	9321	18957	15401	39035	22127	23142	67916	50477	61178	96173	17071	24008	0	36371	36575	13678	15599	14571	41788	26974	43016	9124	44815	17823	0	29638	34840	Peptide	0.42857143	1.5	0.21428572
0	C14 H21 O6 N3	328.1503	328.151	0.10357184	328.15036	13355	14829	16351	16248	18576	11665	6192	21360	17854	6496	6686	10419	22362	6362	9195	2251	13441	26798	22940	6882	15556	20019	13315	17543	7389	970	0	13012	26095	9851	19027	15687	29272	18474	12073	19648	24243	9434	19382	7872	6281	17909	0	0	0	6879	4540	0	23838	12542	15958	14926	23879	0	18656	8802	7365	25408	8855	8368	8932	2959	21908	18891	20830	24339	32625	23275	1383	3152	1917	16796	16734	13612	0	16801	0	8648	9033	12600	6706	2477	4810	1345	11502	7373	8483	19754	23858	19187	59389	31453	36038	9917	0	0	14962	18484	9261	10062	10064	18286	7197	12014	2822	28196	11835	0	7422	41024	Peptide	0.42857143	1.5	0.21428572
12	C14 H21 O6 N3	328.1503	328.1508	0.1069459	328.15036	5626	7648	5248	9332	1874	3479	6175	10274	2803	3979	2751	6536	4474	2522	8766	9842	12843	7070	7117	1806	2935	14504	8886	9563	10128	0	2696	0	14008	8366	8702	6964	9893	9214	3300	11014	9959	10333	12896	4548	3807	4363	0	0	0	4512	4966	0	7301	11667	8497	7670	4384	0	7192	1021	2980	10517	5035	0	0	1821	1674	4360	3816	2923	5803	20021	0	1383	0	6745	8899	8417	10619	6699	0	6348	7400	0	7060	4549	6295	1983	3357	6445	10366	4957	6865	23808	15452	14468	19525	4104	2158	0	7962	7738	3079	2035	2015	8572	6446	4008	0	13163	2256	0	7790	7690	Peptide	0.42857143	1.5	0.21428572
6	C19 H21 O4 N1	328.15433	328.1549	0.1755113	328.1544	70889	76214	68708	69741	38105	34918	43842	79560	50795	81275	50988	41504	47684	21406	65035	84807	62724	59164	77918	88261	97864	93693	60447	93892	46088	84219	45188	56413	69429	59646	63969	68620	89705	68755	106688	67208	82970	57034	80316	60911	62014	38487	0	0	0	65244	73561	0	80011	67016	68781	69807	37542	0	78847	27319	28763	80267	43218	43999	92620	40787	59553	43803	24751	49750	51357	96554	66851	113446	122094	55943	58349	60266	42982	49531	0	40777	52203	50060	41518	33291	31595	37199	36038	36619	62214	45321	45270	117850	90552	86580	144198	45444	71775	0	68308	63097	26396	22971	28230	83322	44955	74063	40790	86605	35662	0	45934	66301	Phytochemical	0.21052632	1.1052631	0.05263158
8	C19 H21 O4 N1	328.15433	328.15488	0.16233785	328.1544	22355	25380	19285	23570	12242	11590	9379	16407	7490	81413	46684	10407	8269	8818	11290	21284	18634	7791	19016	80081	90155	24016	8331	23950	10492	116526	11325	52441	12390	14718	15450	20861	20124	14749	78485	13826	18606	8435	20533	48046	43411	9715	0	0	0	31429	40237	0	23221	16774	24907	23286	11399	0	10583	4473	5696	16124	0	9183	17425	20550	7738	8541	5197	11180	13170	24407	88631	131893	161356	16473	12312	10632	20733	14797	0	9437	15109	27924	12209	7043	3336	38263	7844	5020	11669	11193	8932	26403	28476	11618	27487	36315	57819	0	21273	21567	7863	6402	5125	17040	9976	15222	11292	15000	6867	0	12911	7837	Phytochemical	0.21052632	1.1052631	0.05263158
4	C19 H21 O4 N1	328.15433	328.15497	0.20337415	328.1544	9152	7111	6998	8387	4187	3675	4875	10411	3327	16148	10126	6113	3277	3654	6719	9687	7741	4491	6227	18356	20619	8236	6821	10168	4879	35655	4862	8949	7207	7984	6593	7934	9839	8527	19913	8232	7455	4138	7828	11528	11647	4888	0	0	0	10340	15318	0	8167	8674	9116	7325	3988	0	4774	1625	1937	8364	0	2525	8059	6516	3033	2093	1540	2967	4540	11757	23974	32943	39042	7835	7999	7119	9774	6775	0	5179	8232	6556	6282	3351	2430	10300	2637	2854	7752	3806	4495	11029	6279	2935	12242	7723	15358	0	7695	10485	2933	1691	2219	9739	4717	6798	5437	6960	2590	0	6317	2761	Phytochemical	0.21052632	1.1052631	0.05263158
4	C13 H21 O5 N5	328.16156	328.16214	0.096850574	328.1616	7377	7266	8432	6409	45811	12101	5075	1703	113518	0	0	1032	24915	2019	1826	1107	7393	4265	5003	0	956	1332	2145	1726	688	0	4200	0	1796	1552	0	1776	16817	2044	0	1778	16540	1909	8790	0	0	2658	2581	395	0	0	0	0	1526	916	8324	6667	23835	0	324268	30744	6965	1833	0	0	949	0	1399	256685	3248	26790	3353	7380	0	0	0	1885	1234	1373	1767	1942	359	801	4064	0	3168	0	470	0	4065	2394	4695	4152	1680	6412	1889	1269	5024	0	0	0	6585	6877	43564	20566	22270	13766	1400	0	0	2190	61254	0	1757	27688	Peptide	0.3846154	1.6153846	0.3846154
10	C18 H21 O3 N3	328.16556	328.166	0.08525577	328.1656	4516	3445	2858	2060	902	0	3061	6653	1246	0	2017	1885	0	0	2474	4762	0	0	0	6175	5951	2236	1801	5135	3918	6917	2152	4645	4801	3481	2439	3815	0	3229	4343	4117	3362	0	3722	8965	6907	1368	564	0	0	0	8425	0	0	3262	3114	2386	1456	0	0	0	1018	3578	0	1754	0	2634	1181	0	0	0	0	6224	0	3897	6719	3554	3167	3280	2876	3791	0	1307	2739	12666	1822	3144	0	3334	0	1183	2193	2283	2002	11801	37967	0	4998	6387	4642	0	2579	5391	0	0	0	4132	1796	3269	0	4142	0	572	3873	0	Peptide	0.16666667	1.1666666	0.16666667
10	C15 H25 O3 N3 S1	328.16895	328.16922	-0.38056502	328.16882	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2843	6625	1038	0	0	0	0	1348	3914	2151	9006	0	0	0	0	0	0	0	0	0	0	0	0	2864	0	0	0	0	0	0	455	0	0	0	0	0	1084	0	0	0	0	0	0	5735	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	976	11056	0	0	630	0	0	0	0	24182	0	961	22674	5225	0	8979	1291	0	0	0	1707	0	0	0	0	0	0	0	2841	0	0	8936	0	Peptide	0.2	1.6666666	0.2
14	C16 H25 O6 N1	328.17548	328.17593	0.14101352	328.1755	293983	305500	283015	320092	284019	258934	260719	482821	270431	266580	157205	215020	466858	178512	337799	517223	568726	541497	518495	488161	565545	366959	422650	491226	346478	504027	223084	194766	549779	458982	296172	368465	488061	344117	326987	460589	391927	271306	474282	296618	297012	329933	10006	2548	2102	343719	353185	1638	382808	377771	277195	276496	294911	3808	481501	325731	152379	444033	288487	300521	484300	215431	358470	308889	185284	344917	296796	391719	375097	477999	330452	300822	322855	427415	461376	350199	1393	276533	346820	221369	264217	228745	276690	194238	376164	252968	360112	248369	302351	399107	313138	354343	541463	195807	326999	4367	291558	412698	227287	293197	371440	528925	233399	464118	201351	314610	312441	2122	240366	310767	Lipid	0.375	1.5625	0.0625
0	C16 H25 O6 N1	328.17548	328.17615	0.045565438	328.17548	11028	11087	11466	12658	5265	0	6891	19052	5526	7880	5029	10155	5246	0	8623	3146	14229	8824	8864	9764	17002	13212	8985	10781	5489	4569	2428	4857	18597	5519	14357	15560	16424	16967	14844	21602	15494	7322	13388	8828	11271	10239	0	0	716	8068	5943	0	20481	11727	8328	9662	7951	0	7038	3529	3561	21838	7317	10683	7427	5811	5930	5358	8797	8339	10900	17415	5532	6430	5005	15940	19104	17449	0	19340	0	8505	7594	3513	6196	4774	7225	4384	5560	5868	7130	6693	10308	11414	6798	11643	15999	9664	3166	0	8759	11564	3980	3916	4238	10604	6760	10865	6282	12909	4627	0	6622	9981	Lipid	0.375	1.5625	0.0625
6	C16 H25 O6 N1	328.17548	328.17606	0.18194182	328.17554	83889	95904	84836	92093	49891	46641	49010	103400	58248	141759	47130	46489	92139	29213	71923	104219	57314	81517	90599	143030	290436	308276	66993	106948	51982	43860	44260	40778	101505	85101	88961	95759	127851	82351	384838	90887	123633	58186	78100	99929	160868	46515	1462	683	812	99225	83061	689	120656	82613	95468	88019	48386	740	92086	41946	25767	106499	60610	58113	106894	52393	84136	62782	24222	70500	57420	83677	48555	108536	84556	83980	80603	88829	47883	80328	490	51648	54632	40865	41642	88408	52630	40118	40753	32025	65177	45022	54827	191742	127422	305850	256426	60049	106428	864	85535	86501	30707	44063	52728	98889	49090	132333	48161	157948	36033	440	47611	114260	Lipid	0.375	1.5625	0.0625
10	C15 H25 O5 N3	328.1867	328.18716	0.046139996	328.1867	12564	12874	12621	10338	4373	6673	10215	10478	3764	3805	6391	7545	7922	1371	13384	13914	6244	7176	8478	5409	3033	10716	6683	12683	15189	0	11340	17987	10160	9712	8898	14076	15160	13433	5133	13199	13807	9599	10239	4229	1831	3743	0	0	0	6153	2581	0	15031	6090	9104	13855	7082	0	5885	2216	4132	16477	2216	3045	10420	0	4497	5838	4470	8528	4232	10693	0	2729	0	8926	11041	9240	6747	9106	0	11791	5604	35260	6214	3393	3647	1436	3645	4183	11303	5341	6444	20219	201801	83614	23196	11723	6214	0	12171	4760	2456	3063	2313	10575	7987	8043	0	10923	2791	0	10495	7019	Peptide	0.33333334	1.6666666	0.2
8	C15 H25 O5 N3	328.1867	328.18726	0.21311198	328.18677	20795	21472	22234	21065	7743	9114	12449	18290	8080	10518	7167	9757	10269	4335	14796	28625	15129	15875	17357	10225	8517	16071	11107	24703	20302	2246	14855	23836	20338	13836	15365	24338	25264	20461	17067	16487	26074	14757	17982	9598	5787	9099	0	0	0	13827	8901	0	22733	10770	22916	22253	10161	0	11776	3044	6737	22570	4314	4295	24873	3782	9782	7011	3978	10294	6915	19102	0	6070	4125	16192	15615	14132	14270	15470	0	11895	14424	47908	11367	4585	8529	3389	6071	5170	15447	9895	10132	33417	286000	161926	39010	18907	11263	0	21729	25445	5166	4178	4346	20216	9911	17939	0	22785	5581	0	16511	13289	Peptide	0.33333334	1.6666666	0.2
2	C15 H25 O5 N3	328.1867	328.18738	0.17630738	328.18677	33597	35392	28674	31642	20996	33043	21853	39511	21445	12414	9842	18973	31018	12535	26934	27879	25030	37359	35151	15273	17773	34178	25085	42553	26377	2812	11803	23189	43818	23864	32866	38977	51616	33692	19982	39621	45357	19957	33310	13518	11659	18681	0	0	0	14679	10874	0	37644	26160	31088	31233	20075	0	32802	8745	9250	48598	11444	7257	31762	6139	26384	21294	9721	28696	27947	37885	4044	10103	7251	30994	36244	32306	13925	30968	0	21254	21830	56924	16019	7039	8276	5989	17402	15300	27036	21742	27825	58409	144826	101535	79785	18869	9508	0	31216	32818	12243	10455	10952	35655	18667	23922	6911	42966	13852	0	22553	38125	Peptide	0.33333334	1.6666666	0.2
12	C15 H25 O5 N3	328.1867	328.18713	0.15299484	328.18674	5722	5573	5362	7412	1994	4560	4139	6679	978	0	3421	5246	2849	1277	7841	8262	5054	4817	6152	0	0	5012	5647	9438	10002	0	5079	11251	13341	4328	7487	10623	9831	9459	3681	6639	9273	4721	10433	0	0	7165	0	0	0	1851	0	0	9897	4584	5853	6001	2863	0	1548	0	2747	11563	0	0	0	0	1415	1519	2611	5267	7468	7973	0	0	0	5975	10282	6635	7193	7232	0	5746	3968	19543	5575	2613	2461	0	0	3075	6717	4385	8356	10020	78960	43895	21186	5294	0	0	7554	5574	1488	0	0	8919	6025	2605	0	10187	0	0	7633	3123	Peptide	0.33333334	1.6666666	0.2
4	C15 H25 O5 N3	328.1867	328.18735	0.17505507	328.18677	24857	22623	26091	25086	15032	12283	17481	26789	17303	14060	6736	13343	22200	7614	24872	39884	26772	25171	25315	16806	14383	38719	21683	40689	26781	4792	15733	21473	27669	16640	21096	26742	35384	19104	22205	25263	34276	17465	33165	12844	10248	13957	0	0	0	20100	12816	0	30347	20817	24786	26333	15999	0	24491	8061	8642	40803	11955	6888	33431	7016	20262	15372	6924	18972	12072	33091	4149	10083	6914	16150	14969	22132	21645	19337	0	17707	24334	41586	16011	7368	12544	7372	14412	13857	30347	12374	17279	59490	202420	129160	83521	13363	15675	0	24630	29798	9027	7398	8759	33915	16590	30412	8891	37228	12209	0	20200	26156	Peptide	0.33333334	1.6666666	0.2
0	C15 H25 O5 N3	328.1867	328.18738	0.03165506	328.1867	9104	7847	8931	8172	7457	0	5747	11106	7989	3779	1400	6554	6481	0	6833	0	9836	10248	7470	3763	7166	8994	9231	6423	4424	974	0	2634	12832	4529	10494	12468	16010	9008	7322	12169	11898	6849	15682	3166	3980	10293	0	0	0	4327	1901	0	11238	7273	7182	6988	7488	0	8466	3760	3136	15923	4714	2571	3596	1898	7180	7215	9102	9955	9780	16155	1173	1947	1594	7199	8442	6537	0	9232	0	6632	7372	6578	6230	1706	3253	0	5327	6281	10034	7188	9663	14823	14723	12943	23742	3428	0	0	8655	10094	3013	2802	4316	8239	5145	5193	1936	9944	7078	0	7216	13413	Peptide	0.33333334	1.6666666	0.2
16	C15 H25 O5 N3	328.1867	328.18695	0.066738	328.1867	0	0	2064	0	0	0	1572	0	0	0	0	0	0	0	1381	2815	4700	0	0	0	0	0	0	2601	1657	0	2711	5645	1866	1571	1250	0	1773	1819	0	0	2728	0	2828	0	0	0	1691	0	0	0	0	0	4043	0	2040	2041	0	0	0	0	0	2722	0	0	0	0	0	0	0	0	0	2757	0	0	0	0	1819	0	0	1221	0	0	1596	5888	0	0	0	0	0	0	0	0	0	0	44736	13372	0	0	0	0	2196	0	0	0	0	2819	1538	0	0	0	0	0	2468	0	Peptide	0.33333334	1.6666666	0.2
14	C15 H25 O5 N3	328.1867	328.18713	0.14105406	328.18674	3881	2528	3841	0	0	2128	0	4511	0	0	0	1509	0	0	1903	0	4911	2720	0	0	0	0	1017	4977	2428	0	3264	13142	1589	3553	2040	0	4671	3687	2102	1974	3884	2449	3698	0	0	1775	0	0	0	0	0	0	2628	2218	3573	3715	0	0	0	0	892	4243	0	0	0	0	0	1429	0	1277	1107	4635	0	0	0	1694	4315	2139	3503	3084	0	1338	2079	0	1241	0	0	0	0	0	3782	1927	1266	6771	59421	16499	7354	0	0	0	3673	0	0	0	0	4333	2683	0	0	3070	0	0	3633	0	Peptide	0.33333334	1.6666666	0.2
6	C15 H25 O5 N3	328.1867	328.1873	0.19372885	328.18677	31845	28243	27458	28157	10616	12131	18329	27482	11598	14596	10650	14787	15841	5865	22937	31022	18999	18941	21699	17332	13390	28964	15955	35146	25859	2124	15385	30679	29175	23011	22889	31085	37204	25920	23996	27629	35379	17171	23820	13555	8950	10988	0	0	0	18287	9813	0	34578	20191	30415	31626	11511	0	19837	6752	7723	37074	7658	6825	34416	5959	14855	11466	4892	16812	14689	28647	2405	9258	5809	21604	22568	20346	14904	19546	0	16251	17717	75685	14546	7233	11132	6460	8442	11151	23953	14644	15144	36749	423060	261889	54097	21774	16440	0	26205	27666	6066	5918	6749	30464	15023	25378	0	29478	8173	0	19923	21215	Peptide	0.33333334	1.6666666	0.2
6	C20 H25 O3 N1	328.19073	328.19128	0.14442198	328.19077	13804	14109	12414	13265	783	3706	9984	23635	1236	32807	23700	12275	805	2255	12533	22314	12913	1231	4553	35488	41934	7027	9405	23594	11056	26574	10502	17503	18948	20972	18320	19339	22336	17761	33735	23109	20404	11168	15844	16079	3923	6367	0	0	0	9790	13964	0	23336	18549	15021	13006	2959	0	864	0	1687	20511	0	0	20635	8178	991	2067	2393	2099	7324	26149	14368	26836	27262	21128	19501	21728	19433	19300	0	12664	5782	8314	8267	436	567	14618	0	1959	7702	6171	7667	23703	8222	0	31804	11137	30685	0	13254	12453	0	0	0	22023	10055	10358	0	16630	479	0	9307	925	Phytochemical	0.15	1.25	0.05
8	C20 H25 O3 N1	328.19073	328.19128	0.21333544	328.1908	16830	18475	13602	15015	3766	5297	7638	18170	909	35859	23242	9197	0	3454	8038	35880	10341	3058	4905	53027	45127	6290	7587	28411	10044	49698	11136	21905	15852	17605	14965	17872	18743	16740	38287	12849	21613	7986	14613	19431	5128	5706	0	0	0	10177	18318	0	17014	16801	12632	14781	3490	0	1167	508	2386	23008	0	0	31138	7196	1142	1932	2540	4123	6610	20606	28147	49701	56514	15584	18256	14763	15375	14329	0	10703	6666	9818	5985	645	0	15016	0	0	7288	7238	6656	53744	16229	0	54437	14244	32461	0	15097	17469	1573	899	0	19100	9344	6205	0	23054	0	0	7277	1985	Phytochemical	0.15	1.25	0.05
12	C20 H25 O3 N1	328.19073	328.1912	0.102629624	328.19077	10423	10078	12334	14377	1891	11502	13029	11712	1738	31300	20738	17529	0	1802	14841	40816	15125	0	4961	48473	40555	0	12306	14772	8918	54721	28163	19731	9325	9533	28452	9017	13339	10820	27727	8898	12186	16071	9439	13955	8066	6241	0	0	0	6471	7651	0	13071	14098	10459	11904	3293	0	0	0	3209	22096	0	0	29942	3490	0	0	2772	2597	4421	15773	33530	52272	63379	14686	10296	8372	10832	9982	0	17224	6118	0	13301	0	0	12518	0	1560	3996	3866	3215	21715	13009	0	13960	7454	19324	0	10587	13605	0	0	0	11096	15430	2667	0	11965	0	0	8487	1384	Phytochemical	0.15	1.25	0.05
16	C20 H25 O3 N1	328.19073	328.19116	0.20712367	328.1908	5409	5629	5650	4697	1384	2407	4668	2845	0	13930	14213	3349	0	2670	0	4821	7624	0	0	14302	23612	4381	2181	5957	3855	40794	2251	12891	4099	5154	4399	5210	6448	4522	14476	4024	6142	1870	6793	12914	13017	2161	688	676	0	3102	7920	0	3990	4125	3991	6266	0	0	0	0	897	4705	1756	5745	0	3629	0	1692	0	0	3618	8319	27455	23171	39145	1252	2810	2401	2880	3726	0	2185	4407	8906	2239	3755	2875	11479	0	1374	2912	2581	2318	0	6668	6283	0	6782	9759	0	7311	5879	1125	0	0	6466	2637	5489	3809	0	0	0	4955	0	Phytochemical	0.15	1.25	0.05
18	C20 H25 O3 N1	328.19073	328.1912	0.22598974	328.1908	8888	7092	5203	10493	0	4653	5034	4093	3351	15257	14691	3844	0	1882	4672	14067	12894	0	5386	21951	20865	6791	3697	9059	4306	42634	7203	19848	3272	6716	4320	4422	5344	6396	7474	4882	5416	5354	13554	15482	27564	3238	0	0	0	6399	10976	0	6785	5357	6663	10179	2635	298	0	0	2252	10901	3728	13303	8566	9656	2659	0	2589	2564	5460	14651	36969	26647	57995	3495	4692	3310	9664	6276	0	2639	4598	13252	6978	5748	4772	12914	2623	2451	9515	4456	2419	20497	7067	9101	15386	12279	11014	0	6628	8209	2421	3354	2114	8103	2159	7796	5022	9911	1595	0	6933	0	Phytochemical	0.15	1.25	0.05
10	C20 H25 O3 N1	328.19073	328.19122	0.08249883	328.19073	11799	7709	9650	9575	2527	4892	5191	12301	872	44041	25807	5609	1278	2225	7839	10846	5912	2465	3440	57801	53741	3854	4258	15181	6161	72279	11414	26079	10203	12339	13339	12529	17682	9618	44222	10874	18497	6947	5572	20022	7272	4454	0	0	0	7420	10637	0	9304	7886	7668	12590	3943	0	1215	0	2137	11565	0	0	10887	4572	1030	1213	1083	2373	7270	11382	43686	65254	73949	8399	8602	7791	10018	11202	0	8832	4773	9306	5161	0	0	13853	0	632	3731	5287	4425	17425	15970	0	29051	9861	29091	0	10023	8469	2403	0	0	13235	7300	5038	0	13332	1032	0	4449	0	Phytochemical	0.15	1.25	0.05
14	C20 H25 O3 N1	328.19073	328.1912	0.14226386	328.19077	9467	7894	6609	5855	0	1891	2437	8019	0	12932	14213	3395	0	2283	1630	11898	9728	0	2865	23231	18047	0	1971	10976	2924	39755	4586	12136	5711	5762	5462	0	5478	6427	14352	6191	7778	3302	8209	10140	6716	3811	0	0	0	3753	10335	0	20108	4543	5586	5621	3386	0	0	0	2429	4734	0	0	0	3235	0	1618	1243	0	2843	7872	20031	29702	37813	16805	4927	3134	6638	4285	0	4438	2139	0	2827	0	2644	8515	1316	0	4474	3751	4630	18336	7151	2543	7289	4531	14815	0	1997	6284	1994	0	0	5789	2755	1897	0	5250	0	0	5069	0	Phytochemical	0.15	1.25	0.05
20	C20 H25 O3 N1	328.19073	328.1912	0.2859998	328.19083	14434	13936	11520	11622	5565	2747	8324	8157	2484	15288	19265	9802	3531	3225	5839	15889	22309	4355	6169	17910	20519	15138	5040	13389	4695	48718	8224	20646	11591	10444	6911	14652	9088	15788	14610	11935	12508	8098	22475	22444	47155	8702	0	0	0	11962	23810	0	13552	8533	13542	14532	5170	0	3168	3448	4115	12806	4010	20605	14441	10850	1584	1828	3852	4765	8285	20686	43865	35629	65697	7968	10710	5886	21633	11879	0	5188	7162	22521	5815	11273	10923	13390	3766	3980	11417	11718	10861	47499	15876	19412	25969	21976	18006	0	11778	12287	2485	2488	4116	12613	6736	17238	9442	12591	2999	0	11275	2285	Phytochemical	0.15	1.25	0.05
24	C17 H29 O3 N1 S1	328.1941	328.19424	-0.004904611	328.1941	0	0	0	1385	0	0	9252	0	0	0	3096	7483	0	1167	0	0	6383	0	0	0	0	0	0	0	0	0	51808	1367	0	0	0	1341	0	0	0	0	2056	0	6049	0	0	0	0	0	0	0	1121	0	0	0	946	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21959	0	0	0	0	0	0	19308	0	0	0	0	1280	0	0	0	0	0	0	0	0	0	0	0	1781	0	0	0	0	0	0	0	0	0	2017	2727	0	0	0	0	0	1071	0	Organosulfur	0.1764706	1.7058823	0.05882353
12	C13 H29 O8 N1	328.1966	328.19714	0.20619479	328.19666	0	1575	3220	1777	0	0	0	0	0	0	3617	0	0	0	0	0	0	0	0	0	1603	0	1249	0	1503	937	0	0	1349	0	0	0	0	0	0	0	0	0	0	3705	0	0	3466	2942	4213	12078	18145	3000	0	0	2193	2399	0	5331	0	1265	1790	0	34899	0	0	14223	0	0	713	0	0	0	0	1788	1602	0	0	0	0	0	4098	0	0	0	0	1298	0	0	0	1408	0	0	955	0	0	1921	0	0	0	2620	3130	3104	0	0	1182	0	0	0	455818	0	1239	3110	1179	0	A-Sugar	0.61538464	2.2307692	0.07692308
10	C13 H29 O8 N1	328.1966	328.19708	0.1016071	328.19662	1396770	1299911	1241736	1093387	56476	32768	123686	41457	60616	303979	1960250	13147	91629	75509	31740	29908	18894	49421	24334	135277	347767	134848	22067	76306	57801	69634	104116	3511059	40668	58981	20439	19465	27300	15899	68069	29939	18206	35623	10684	1890028	1158107	37944	178911	17722	38530	2247549	3119975	48181	21587	35853	1319467	1366358	27159	61352	45872	29666	81727	55344	5807615	122205	766127	3801803	193503	25002	131247	180405	130809	13474	482048	290900	211594	44090	16444	41411	9656	18177	49437	12079	30716	1927801	40774	168008	72155	62129	71194	138720	21653	50460	22506	21079	254068	275136	56824	792461	291880	15897	1322214	1402685	80213	28791	72129	39077	14979	334738	111223855	22545	72788	51980	36279	43983	A-Sugar	0.61538464	2.2307692	0.07692308
2	C14 H25 O4 N5	328.19794	328.19858	0.2329081	328.198	1953	1175	986	866	5522	0	0	1767	2263	419	0	330	8500	3149	699	898	1283	723	1212	695	442	2427	825	2969	1949	0	0	1526	1988	1010	1135	1892	1868	2002	412	703	1369	373	646	822	0	0	0	0	0	842	0	0	949	1301	2210	1435	1419	0	3026	748	534	1439	0	0	1214	241	0	975	0	3637	501	1106	0	0	0	1138	828	1224	563	905	0	798	348	0	558	0	0	0	295	790	853	0	1073	3027	3147	1442	6377	0	0	0	1186	1176	1057	980	763	1473	518	1198	0	2271	1345	0	979	38818	Peptide	0.2857143	1.7857143	0.35714287
12	C19 H25 O2 N3	328.20197	328.20245	0.16739212	328.202	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1749	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9421	0	0	0	0	0	10815	32244	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4752	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	877	0	0	0	2125	0	13010	0	0	0	0	0	0	5237	0	0	22352	9009	0	0	0	0	0	0	0	0	3839	0	0	0	0	0	0	Unclassified	0.10526316	1.3157895	0.15789473
4	C17 H29 O5 N1	328.21185	328.2125	0.18602297	328.2119	24447	23429	24784	24092	6220	8074	17139	41946	5724	19189	7802	14426	7328	4141	26980	33187	22622	8146	10897	22113	17388	29853	18420	31769	32391	8188	19027	5919	32770	27948	31361	26155	30872	20487	25290	27987	33354	16458	25648	14179	9268	8485	0	0	0	17523	12439	0	37714	30115	24932	24054	9546	0	8584	3172	4893	43697	5594	4386	36827	7316	7046	5785	5460	9646	10592	22069	6782	13797	11116	31086	19995	29599	22584	22349	0	22379	17913	14543	12093	6203	8486	10944	5453	5426	60847	7004	9491	61759	190036	124552	48997	17578	27185	0	20940	28112	4813	4033	5270	29423	17360	32947	8230	25768	3598	0	23374	9419	Lipid	0.29411766	1.7058823	0.05882353
12	C17 H29 O5 N1	328.21185	328.21237	0.19937074	328.2119	12424	10984	10340	14335	7363	5611	11133	23361	4346	8748	4810	15025	6003	4165	13325	20417	17121	9773	14413	13061	12177	10737	15351	14727	13889	8926	11547	0	24256	14690	16557	19096	27780	14781	10031	22858	23790	14361	17029	9089	4506	7600	0	0	0	8378	6032	0	26764	14934	8935	11922	10339	228	8227	6547	5338	22673	0	0	0	2556	5061	5219	5807	7014	8688	22299	0	13806	11580	17263	16019	18469	16979	17121	0	10492	15217	0	11799	1588	3380	7679	4974	6623	20712	6059	9410	31725	22625	12963	26387	7875	6274	0	10134	14835	5395	14255	24281	18287	10126	11063	0	15675	5529	0	11132	7501	Lipid	0.29411766	1.7058823	0.05882353
2	C17 H29 O5 N1	328.21185	328.21252	0.21010168	328.2119	20579	18292	16312	18538	2469	0	13747	30745	2686	10955	6130	11437	4510	2417	16456	34295	17082	4719	6396	15496	13218	25782	11602	22517	26328	4011	11951	4473	20749	19373	20470	18622	22703	15155	12234	20742	20522	12684	21061	11506	10471	6256	0	0	0	10144	9236	0	28007	21901	16078	17983	4873	0	3577	1548	3363	44711	5711	3544	36611	5434	2995	3399	3572	4438	8249	21186	4058	9252	8516	24489	16409	22296	16357	15976	0	12347	15549	16049	7505	3710	7041	7254	3331	4660	46934	4444	7110	70962	54616	41707	43583	12672	23784	0	17842	19228	2504	2058	2256	17807	11162	23827	5737	22845	2325	0	25060	2806	Lipid	0.29411766	1.7058823	0.05882353
6	C17 H29 O5 N1	328.21185	328.21246	0.20724104	328.2119	27315	32589	30841	32775	8579	10244	25998	48960	6068	27707	10280	22227	11277	8028	26957	53200	20216	15447	20092	32239	25921	35508	21913	34984	41640	8720	32286	8591	35634	39900	46148	40695	48019	31781	39140	34699	54388	21121	24603	18858	11898	11791	0	0	0	23101	14278	0	62126	37479	34320	30095	12373	0	10667	5400	6462	58701	3390	3705	54668	9417	10267	9395	6443	12986	15035	28630	11315	27575	16336	44065	32681	34921	21612	34874	0	27196	22170	14469	11173	7238	7907	12519	5807	6891	84226	9159	14761	80915	90914	63423	63819	16565	30953	0	32165	29618	4385	5930	6724	42247	23642	36140	9036	29636	4898	0	25210	15177	Lipid	0.29411766	1.7058823	0.05882353
10	C17 H29 O5 N1	328.21185	328.2123	0.04620405	328.21185	18397	16917	17713	18798	7892	7699	14132	28849	5061	13610	5965	11290	6920	11261	15286	28233	14541	11623	13865	19996	16630	21100	11980	22287	17415	8237	15107	8134	23993	25751	23314	27377	35895	21628	21636	23266	33465	12519	21717	11834	6904	8242	0	0	0	15200	8494	0	29579	22652	19464	18622	11276	0	7806	6384	3516	38962	0	2820	24469	4539	4035	4867	5170	11006	9010	21568	0	15711	9246	23351	20056	28702	13481	23589	0	13969	12506	7315	9794	3550	3646	7487	5755	6343	40507	13229	11346	35006	45326	21823	32753	9568	17516	0	17446	14897	4133	7568	9301	29275	12159	16681	27411	24953	5670	0	16496	6497	Lipid	0.29411766	1.7058823	0.05882353
14	C17 H29 O5 N1	328.21185	328.21234	0.21399827	328.2119	16633	11521	8834	8347	8118	5267	7363	15809	5588	4297	2708	6742	10011	7690	11754	22734	26845	9807	12321	8443	5298	11398	15643	19309	8965	11743	11253	0	17057	11055	11578	13947	18544	10316	5661	18502	14249	9026	21588	4494	5612	12482	0	0	0	8709	9597	0	16995	11290	7930	9671	9571	544	6922	6470	4079	17173	0	0	0	3780	6821	6983	6617	11187	13198	20788	0	8101	9927	9158	16323	15526	21300	11827	0	6061	14741	0	11352	7548	10014	7754	13123	9534	22739	7971	8070	38793	27295	15609	25863	7306	14176	0	10848	15929	8276	14645	17885	22843	7037	13565	0	14296	8940	0	13112	5576	Lipid	0.29411766	1.7058823	0.05882353
16	C17 H29 O5 N1	328.21185	328.21234	0.23130243	328.2119	25579	26800	22824	26167	24670	15870	36201	39319	13469	9671	12994	21559	18415	15653	20973	45852	49634	31179	30559	17755	18691	15058	25608	36267	21382	33448	37550	13816	33843	35726	28517	25254	33401	26014	13842	39073	26030	16552	44088	12866	17064	24313	1545	0	0	19772	23288	365	35029	30219	22998	18753	21663	574	14379	21758	10798	39273	13252	21671	34870	9674	17897	12285	14675	23675	28500	47507	15473	13882	21565	24170	27633	39273	54077	29569	0	15828	27762	28804	18352	9914	53355	34460	22607	17243	36558	24180	17390	55744	43257	26079	49131	13003	23589	0	25009	30904	13161	19139	33961	42793	16788	27448	8519	32458	20101	0	23684	13802	Lipid	0.29411766	1.7058823	0.05882353
6	C16 H29 O4 N3	328.22308	328.2237	0.36604655	328.2232	35789	39520	30476	30001	3471	9803	3813	11194	1408	4645	31124	2656	2220	1945	5139	11239	6617	6446	5947	2406	1523	6405	5338	13958	5454	0	6047	141584	7517	5144	8802	8542	10106	5871	3151	6041	7867	5431	5902	2458	0	5031	0	0	0	1595	0	0	12595	5870	36666	33345	2683	0	1271	558	1479	14734	0	499	12675	0	1897	0	3066	3737	1470	7656	0	2061	0	6101	6128	7754	9729	4704	0	3263	3390	914116	4461	0	582	1692	580	1348	6385	4787	5655	10960	1601813	418878	10649	187246	26634	0	30499	24193	4130	700	1312	9376	3498	5666	0	7347	890	0	2446	3207	Peptide	0.25	1.8125	0.1875
4	C16 H29 O4 N3	328.22308	328.22372	0.17822021	328.22314	4449	6124	7509	4013	3247	7043	1627	3188	3790	1461	3530	1113	2539	2543	2580	7351	2348	2832	2083	1977	2048	3393	1841	6122	3767	4837	1838	65965	3347	1393	2749	3416	3780	2706	1075	2333	3174	1980	2041	0	926	2242	0	0	0	1266	1845	0	4236	2024	7298	5521	2008	0	2340	517	681	6985	0	0	4890	0	1569	1095	2460	2813	1224	2259	2740	3551	5168	2587	2073	1713	1900	1435	0	1818	3284	702723	900	0	493	1621	955	2413	5045	2390	1817	8195	315057	113886	10027	26510	5472	0	7118	7653	2273	893	748	2533	1534	1936	0	3295	1919	0	2643	3710	Peptide	0.25	1.8125	0.1875
10	C16 H29 O4 N3	328.22308	328.22345	0.27580705	328.22318	3769	2357	2258	2149	0	0	0	1073	0	0	1788	0	0	0	0	2007	0	0	0	0	0	0	0	0	1476	0	0	11459	1107	0	0	2256	2893	1047	0	0	1581	0	1660	0	0	0	0	0	0	0	0	0	0	0	3180	2121	0	0	0	0	0	4033	0	0	0	0	0	0	0	0	0	1790	0	0	0	942	0	0	1174	1598	0	0	0	62851	0	0	0	0	0	644	1309	1071	0	3881	291736	77482	1701	7331	0	0	4841	0	0	0	0	0	0	0	0	2049	0	0	1560	0	Peptide	0.25	1.8125	0.1875
12	C16 H29 O4 N3	328.22308	328.2233	0.23043782	328.22314	1812	0	3360	0	0	0	0	0	991	0	0	0	0	0	0	1567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	966	1317	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3983	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46651	0	0	0	0	0	0	0	0	981	0	143716	33986	0	4699	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.8125	0.1875
8	C16 H29 O4 N3	328.22308	328.2236	0.19854183	328.22314	7341	9220	5759	8869	1103	1422	1005	1499	0	2208	6184	0	1077	0	785	5118	1793	2152	1756	0	0	2776	1192	3167	2011	0	1818	17217	5189	1694	1966	4015	2715	1937	0	5623	2092	807	2369	0	0	820	0	0	0	0	0	0	5245	2169	7720	6476	1405	0	0	0	0	4196	0	0	0	0	950	0	0	1596	1222	3559	0	0	0	935	1334	1656	2334	2448	0	1606	1451	56119	693	0	0	0	0	0	2059	2150	1093	2882	529440	257431	6525	12313	3076	0	9085	8125	1507	0	0	3123	1250	2573	0	3336	0	0	2380	2240	Peptide	0.25	1.8125	0.1875
12	C21 H29 O2 N1	328.2271	328.2276	0.1286882	328.22714	2485	0	3124	1766	0	0	4124	17008	0	1983	5438	135501	0	0	37777	18333	0	0	0	2463	2720	0	1721	13103	16814	4976	3728	0	16651	14934	19010	6454	10124	10509	0	15528	10535	11935	1347	0	0	1762	0	0	0	0	0	0	7023	16895	1650	1605	0	0	0	0	0	7882	0	0	0	0	0	0	3836	0	0	4259	0	0	1265	14134	6833	12962	6591	5434	0	249854	0	0	0	0	0	1496	0	0	0	2580	1430	10884	0	0	24888	0	4230	0	1986	2252	0	0	0	14228	45298	0	0	15446	0	0	0	0	Lipid	0.0952381	1.3809524	0.04761905
14	C21 H29 O2 N1	328.2271	328.22754	0.18952316	328.22717	17022	16086	12160	13742	0	0	48556	4108	0	5140	36170	110186	0	0	0	0	0	0	0	5390	0	0	6554	0	6956	23566	108542	0	5860	11732	43536	21422	8224	14872	0	3452	9946	64912	0	0	0	2084	0	0	0	0	0	0	19068	4628	14842	13232	0	0	0	0	5634	15248	0	0	0	0	0	0	10730	0	0	4166	0	6560	3766	23556	12262	4748	5398	19140	0	184906	4586	0	12966	0	0	2616	0	0	4246	3164	7200	0	8082	0	11818	0	3342	0	14542	18540	0	0	0	7000	562394	0	0	15564	0	0	13234	0	Lipid	0.0952381	1.3809524	0.04761905
8	C21 H29 O2 N1	328.2271	328.22763	0.11073807	328.22714	6226	9094	6162	5798	0	1111	2697	23327	0	4781	1844	8429	0	0	9262	19984	6323	0	0	10047	4490	0	8305	15991	6566	0	8673	2565	21409	21469	17156	20801	12652	22244	1849	21468	18548	8034	1637	7849	0	1565	0	0	0	2353	2906	0	24363	19270	6333	7581	1043	0	0	0	0	13168	0	0	16922	0	0	0	0	0	1359	22618	0	0	0	24899	24022	21449	18640	19443	0	10208	3163	3873	5921	0	0	7069	0	0	1894	3034	3573	12364	0	0	13988	1730	13231	0	6158	4830	0	0	0	13966	8071	2598	0	12803	0	0	1452	0	Lipid	0.0952381	1.3809524	0.04761905
18	C18 H33 O4 N1	328.24823	328.24866	0.2447996	328.24832	11884	8510	16155	14645	5298	30899	0	5745	1154	28603	0	0	9142	8438	0	26782	2509	2898	2780	0	8226	1702	2515	3571	1939	0	8551	0	5500	16565	4930	46758	35983	37209	16941	59702	5131	1286	2899	4718	3214	26324	2724	0	0	16312	11275	0	51499	66633	16833	9523	0	14423	0	0	1435	16921	0	45575	15240	0	24337	0	1212	47232	1674	15624	0	0	0	11446	7256	4962	9049	20372	0	1727	0	2048	1306	0	0	0	0	4402	5692	488475	239126	37697	36394	0	33015	0	66265	1853	12122	13016	0	0	0	4064	0	0	0	6283	1907	0	1122	71747	Lipid	0.22222222	1.8333334	0.055555556
6	C18 H33 O4 N1	328.24823	328.24875	0.2235536	328.24832	1906	2290	2112	1532	0	0	3617	6989	0	0	0	2223	0	0	1828	4959	3288	0	0	872	1597	0	1564	3509	2608	0	4416	0	3820	4410	5539	4787	2879	5098	0	3989	3618	1779	4059	0	0	563	0	0	0	0	0	0	6596	6411	2423	1878	0	0	0	0	0	4677	0	0	5314	0	0	0	442	0	1199	3830	0	0	0	20041	6713	5150	4048	3782	0	2688	2293	0	1343	0	0	0	0	0	5697	510	963	5689	5838	2073	3082	0	0	0	2659	1692	0	0	0	2711	1692	1786	0	2451	0	0	2696	0	Lipid	0.22222222	1.8333334	0.055555556
20	C18 H33 O4 N1	328.24823	328.24863	0.3016054	328.24832	21416	14136	16451	13165	6177	52995	20461	7625	1847	45145	0	0	13419	16400	0	31922	10962	10385	0	3081	13886	7787	0	0	0	4660	24007	2262	6496	23855	7418	23342	55680	8334	18664	16419	6483	0	5844	12146	13817	46336	6534	1611	0	34454	36131	1829	87735	97263	13772	17751	0	28317	0	1173	1946	7593	0	114420	17074	0	46886	0	2457	75929	6400	29773	0	0	6796	8067	2222	5604	16202	41152	842	0	4232	6192	2276	1352	13279	12865	0	0	3797	50163	8615	28780	58564	5030	42413	2497	115103	1909	20254	18493	2513	0	2989	2105	1581	2361	1535	15876	2735	0	1520	155231	Lipid	0.22222222	1.8333334	0.055555556
24	C18 H33 O4 N1	328.24823	328.2487	0.28494516	328.24832	11971	13224	9042	12936	6427	24153	30617	25136	2481	11063	6358	9090	6057	27095	5314	12758	22196	8293	4113	6335	6741	3114	2792	5873	4256	0	28949	18284	20201	34706	17671	27585	38492	19079	8046	31014	20346	5881	19228	4557	9127	23769	7864	0	0	11477	16578	0	37417	88513	9799	14103	5231	8624	1834	2598	4762	11029	4981	47633	14654	1415	13246	2626	13098	27952	14000	24051	1956	2688	1603	23191	19920	34456	21639	43261	0	7628	3125	30285	1244	15870	9243	6373	3680	7926	5356	15412	6730	11182	43539	24983	13683	6944	26149	0	17014	15823	5757	2529	6080	27706	8230	8918	14081	6736	1540	0	4896	32193	Lipid	0.22222222	1.8333334	0.055555556
16	C18 H33 O4 N1	328.24823	328.2487	0.21114281	328.2483	4812	2271	0	4142	0	16103	0	18350	0	8660	0	3604	0	0	0	10911	0	0	0	9587	4897	0	0	0	0	0	1368	3326	9148	14064	16235	11120	7384	2631	4652	11249	6214	0	2023	0	0	2905	0	0	0	2002	2846	0	31841	26857	4227	4162	0	1638	0	0	0	13741	0	6702	12143	0	0	0	0	2252	1517	4628	0	0	0	7453	5799	6909	7344	10027	0	1780	0	0	0	0	0	0	0	0	1644	1341	2612	0	13560	0	0	0	0	0	2948	3980	0	0	0	4954	2369	18106	0	0	0	0	0	3548	Lipid	0.22222222	1.8333334	0.055555556
22	C18 H33 O4 N1	328.24823	328.2487	0.25448635	328.24832	26214	20247	25418	24736	9303	81913	39111	18736	0	59313	4289	5540	39699	51951	3958	32639	20557	22252	5465	7274	14651	2366	5116	9296	4428	5069	37304	6165	15835	59043	18261	45146	89285	18256	20093	32649	15323	2749	18408	12272	16227	69260	22531	0	0	45381	55302	0	137479	197230	22891	21745	4408	38002	2503	5429	4516	16746	3566	163377	22167	1950	70346	1177	6741	88864	14051	31751	0	2982	3948	20792	11195	16257	22089	87618	1541	2932	10514	13327	3449	5574	14044	16172	2433	3166	9469	50693	6399	27793	52605	16406	51564	7105	111587	3212	16238	25444	3582	1443	5532	16693	3203	7091	2363	9658	4338	0	3629	170176	Lipid	0.22222222	1.8333334	0.055555556
20	C19 H37 O3 N1	328.2846	328.28506	0.36240706	328.28473	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31146	0	0	0	0	0	0	0	0	1730	0	0	1716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	328	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1220	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.15789473	1.9473684	0.05263158
12	C13 H12 O10	329.05032	329.05093	0.4364589	329.05048	3363	0	4255	5830	18388	5543	0	0	18750	0	0	1581	28808	7309	0	0	0	10898	13216	0	0	0	3298	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2678	0	0	0	0	0	0	0	0	2714	2744	8082	0	18824	17042	5418	0	0	0	0	0	45039	22685	6238	21481	4447	0	0	0	0	0	0	0	0	0	0	897	2078	0	2932	0	0	0	12421	2934	1371	4840	3240	0	0	0	0	0	0	0	3730	4115	11280	22551	15854	0	1450	0	0	0	12609	0	0	50577	Phytochemical	0.7692308	0.9230769	0.0
10	C13 H12 O10	329.05032	329.05096	0.326575	329.05045	3640	4007	2446	2377	16744	4887	924	0	21327	0	0	0	35832	4016	0	0	0	13749	15571	0	0	0	1700	0	0	0	1893	0	0	0	0	0	0	0	0	0	1637	0	0	0	0	4179	0	0	0	0	0	0	0	0	2549	3040	7426	0	18618	24357	4495	0	0	0	0	0	41995	27791	5597	27494	4400	1175	0	0	0	0	0	0	1409	0	0	0	1782	0	0	0	0	0	14393	3883	1684	5342	4135	0	0	0	0	1735	1464	0	3173	3476	11083	28198	23961	0	868	0	0	0	9882	0	0	42671	Phytochemical	0.7692308	0.9230769	0.0
8	C13 H12 O10	329.05032	329.0509	0.40614557	329.05045	1166	1943	1722	2000	17393	2548	0	0	13674	0	0	1013	25576	3000	0	0	0	9533	13110	0	0	0	1281	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3341	0	0	0	0	0	0	0	0	1252	1623	6871	0	11977	18232	5035	0	0	0	0	0	35515	19120	3664	17423	3528	0	0	0	0	0	0	0	0	0	0	722	0	0	822	0	0	0	14328	0	1470	3493	3926	0	0	0	0	0	0	0	2629	1633	9732	27688	19508	0	968	0	0	1204	9329	0	0	31025	Phytochemical	0.7692308	0.9230769	0.0
18	C14 H16 O7 S1	329.06894	329.06955	0.4374384	329.0691	3216	4408	3908	4695	7278	7713	0	0	7297	11384	4002	0	14105	5536	1848	1974	0	15786	8232	4817	10115	10833	1806	2282	2673	3638	0	4161	0	0	0	0	3068	0	15114	0	3216	0	0	12270	5406	1600	0	0	0	2845	1564	0	0	0	3978	4375	5371	0	6980	5250	3498	2087	4702	3453	0	10198	4407	6661	2698	7503	5030	0	2470	0	4342	0	0	0	0	0	0	0	1576	5998	0	1417	0	4326	2679	3399	2407	2164	3053	0	12763	24336	4244	12181	13981	0	4607	6428	4021	2935	1826	1955	0	5085	2755	1811	6039	0	2360	10721	Organosulfur	0.5	1.1428572	0.0
24	C16 H12 O6 N2	329.0768	329.07724	0.30527595	329.0769	6308	6130	6039	5945	1411	2131	8498	5836	1072	1968	1539	6550	1924	1202	9920	11464	29865	3352	3025	0	2233	5831	6675	9239	5025	0	11155	0	3511	5064	5778	3963	7673	3440	0	3740	5027	11089	29160	1611	8466	4317	0	0	0	3033	3645	0	7349	5414	6015	5699	3499	0	2524	0	2263	8919	6171	16498	5104	2046	1593	2437	5160	4112	4349	31455	0	0	1601	1892	2963	0	10720	4823	0	4385	17918	3827	16922	2329	9546	1373	1851	3990	15687	8874	6748	31997	4198	4379	15593	2243	2707	0	4596	6235	1196	0	0	6711	7557	10818	1338	10952	0	0	18233	2586	Phytochemical	0.375	0.75	0.125
20	C16 H12 O6 N2	329.0768	329.0773	0.3625208	329.07693	4965	5299	4283	5141	6897	5389	4740	3256	3713	3782	1797	3037	2439	2851	3510	3626	8858	5724	4688	3505	7664	13531	3360	3523	2938	1524	3327	1772	1581	0	1651	2983	5369	2194	6813	2242	3173	2322	10630	9255	22057	3880	0	0	0	4394	13622	524	3602	3597	3609	7788	6640	318	5801	2963	3092	4347	2711	9271	4078	6952	2952	4262	3002	3236	6322	11041	4025	3016	8456	2581	2125	0	3562	2115	0	3221	11753	18237	7944	5605	6305	0	3678	2020	5361	8036	3017	18049	6335	6633	14954	17031	16255	0	4441	4845	3530	4789	3833	4232	3063	4548	3821	7491	2014	0	6985	8112	Phytochemical	0.375	0.75	0.125
20	C7 H16 O7 N6 S1	329.0874	329.08728	-0.3363872	329.08728	7822	9288	5518	8716	11426	9156	4584	3896	24400	0	5140	10332	18462	5984	8666	0	5416	16306	14824	0	4306	8406	5496	7534	2632	0	4220	0	0	7042	5536	4716	8596	5640	5828	3622	4254	6980	5542	5132	4064	8932	1998	1366	2108	5478	10244	2044	6940	4316	8116	7074	13910	956	24646	10818	9372	2510	6846	3276	8816	4798	28970	22814	7088	10514	9988	6546	3264	0	3722	6404	4060	5222	6514	7486	1830	6098	12108	0	9734	7100	6278	0	12264	7096	8450	7986	9262	4318	5936	11818	0	4432	1711	2548	6592	6956	11134	8424	13536	5394	7916	0	4908	0	9162	1820	8467	41340	Organosulfur	1.0	2.2857144	0.85714287
22	C15 H20 O6 S1	329.10535	329.10583	0.37243307	329.10547	2993	5331	4048	4950	3932	5863	2702	3376	3541	4718	2772	1559	7263	0	2660	4438	3815	3854	4653	4671	4023	4690	1571	5451	4062	2093	2801	3706	4392	1379	1302	0	5305	2701	2335	2742	4994	4059	6400	7527	3471	3046	0	0	0	0	2690	0	0	1516	4284	3659	5096	0	4759	1677	4103	8207	5446	3622	3369	4278	2233	3172	2783	2141	4861	4524	1765	0	3186	2423	2547	1540	0	4101	0	1781	4465	3263	1486	3316	4925	4095	5352	3566	7692	2551	3335	9668	11209	21410	10200	5805	6494	0	4926	4161	5452	4302	2267	3616	1832	6160	3916	3348	4426	0	3656	4252	Organosulfur	0.4	1.3333334	0.0
12	C11 H20 O11	329.10785	329.1084	-0.31607762	329.10773	0	0	0	0	0	4262	0	0	0	0	0	0	0	0	0	0	0	0	4181	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17860	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	904	0	0	0	0	0	0	0	0	0	0	0	0	0	0	71610	0	0	0	0	0	0	0	0	0	0	0	0	1366	0	0	0	0	Carbohydrate	1.0	1.8181819	0.0
8	C8 H17 O3 N8 S1 Na1	329.11148	329.11227	-0.0617597	329.11145	0	1108	0	0	0	0	956	0	0	0	0	0	0	0	0	0	0	1737	0	0	1816	1041	1174	0	0	0	0	0	0	698	0	0	0	872	0	0	0	722	0	0	1426	646	0	0	0	0	0	0	0	1226	0	0	680	0	0	0	0	0	1754	963	0	0	0	0	0	0	1491	1365	0	0	0	0	0	0	23436	0	0	0	0	0	855	1022	0	0	0	0	0	0	1130	0	0	0	0	0	0	0	1148	0	0	0	0	1039	0	0	0	1178	0	0	0	0	Organosulfur	0.375	2.125	1.0
14	C14 H20 O5 N2 S1	329.11658	329.11688	0.15351978	329.1166	4556	5556	0	3798	4842	4574	0	3940	4822	7070	0	3732	2191	0	2160	7164	9612	4434	4050	4294	0	0	2340	9374	9152	1454	7131	0	2980	1840	5982	0	6064	17011	0	0	5948	3312	11646	8592	8040	2594	0	0	0	0	0	0	0	0	3492	0	2300	0	3206	0	2268	7236	0	0	0	0	0	0	0	4442	0	9428	0	0	0	13118	6487	4519	4582	4984	0	4364	4500	0	2356	4052	7936	0	0	0	2708	4998	7634	0	30932	19532	9192	9090	7020	0	4214	0	1856	2800	0	0	2392	10694	0	4670	2550	0	6846	0	Peptide	0.35714287	1.4285715	0.14285715
4	C15 H20 O8	329.1231	329.1238	0.24726999	329.12317	11839	12628	22006	14388	9523	7930	7682	13309	14294	8644	7933	10806	15038	8435	10620	14963	17369	27778	15253	8797	12407	11803	21290	13836	5307	2732	7938	0	11489	10503	21422	22590	13010	7321	11991	23574	24596	10242	18606	6828	10010	22340	779	676	1283	10948	13647	1129	11027	13176	25710	11597	8903	1090	39602	16658	7688	14161	10201	13531	13080	4082	32696	14953	6982	11202	17320	13984	7858	3940	7839	10348	8898	14322	6332	20920	907	8659	23920	0	11508	6398	7495	3579	32092	21478	10221	8098	11562	14148	4435	6059	27944	6640	6122	2281	12267	12637	25138	32536	36328	13150	18306	14013	9005	18280	23796	1070	13400	17061	Lipid	0.53333336	1.3333334	0.0
0	C14 H20 O7 N2	329.13434	329.13504	0.1447078	329.13437	16688	19170	17941	18030	11357	1391209	2480	17816	8888	5579	0	5907	19404	4059	4015	5321	3499	22015	18093	6827	10861	15606	6760	11844	3645	0	0	905	18436	8146	11014	12496	19400	14270	10271	17080	20402	3564	5208	5961	2476	121489	0	0	0	6201	0	0	17477	9074	17095	19373	14487	0	11094	5740	3040	19756	3961	3141	5589	1404	22372	13569	4681	17112	15343	6457	478	2496	0	11472	18573	10832	0	14521	0	6346	2800	901	0	1266	1806	0	5037	3509	3118	13765	15016	5163	9824	9714	22401	2199	0	0	21762	21428	5529	5424	4651	15003	5366	9554	1470	21539	5346	0	2681	34885	Peptide	0.5	1.4285715	0.14285715
8	C19 H20 O5	329.13834	329.1389	0.13906507	329.1384	167020	176491	137058	174964	96529	87941	114480	202127	153658	109301	85109	136386	130322	52190	162277	200722	183069	164709	187440	142401	130239	210282	156691	205892	101410	49298	116907	83409	177790	155130	154039	179721	197502	156900	157177	170690	213270	138884	210965	120622	137103	125904	7291	3508	4712	150749	149543	5147	182395	164850	157946	158905	111180	4531	207628	93013	101810	185016	170317	147994	221205	83125	137053	151307	83146	126217	109218	217281	61956	78953	94687	169679	166063	164284	125507	175154	3980	124595	150534	80058	125733	88801	113497	54781	100394	87085	139785	127790	140963	242360	110247	182230	297458	92485	104114	6198	166704	172712	96851	101445	101267	211941	139569	201211	75324	183318	114048	3174	114990	194465	Phytochemical	0.2631579	1.0526316	0.0
2	C19 H20 O5	329.13834	329.13904	0.27541614	329.13843	69062	58505	51003	60056	52099	183548	23840	145477	63225	19298	22462	126676	89085	22032	35278	13121	81771	89762	95089	22643	35409	64033	37835	39955	13853	3394	8009	10417	66763	96710	56361	73174	93470	105822	35606	45364	62948	28914	59083	26132	23581	73372	5207	3630	5879	23048	17335	5931	150593	42366	59432	63560	49222	4124	78477	31343	26462	69087	22595	24557	18511	11240	118745	111794	25529	78803	57684	96014	9129	9363	9823	105703	95769	54863	4543	109094	4911	169626	24247	8736	20050	15317	14548	6507	34675	21745	26386	68382	76961	56101	34593	40724	76642	16152	7416	8988	56320	62195	30740	40526	34753	157913	619293	30205	15342	79791	31221	4143	18641	161691	Phytochemical	0.2631579	1.0526316	0.0
20	C16 H24 O5 S1	329.14172	329.14215	0.1875886	329.14178	9537	13772	13655	13635	15793	19067	7335	9398	10132	17766	5710	5371	21665	8242	8447	8143	8211	18096	23164	13902	13616	18468	7093	11438	10557	3460	12836	9862	11882	4357	8168	6571	13411	8472	11755	6624	10389	16698	6675	10434	12431	16722	0	0	338	14783	5575	0	11974	4358	11867	9974	21292	0	9129	9679	6760	18275	12493	9263	13251	9050	9253	7086	8396	28112	25494	9547	0	3276	0	4643	4258	3139	6053	6761	0	5369	9529	13165	4621	7302	12012	0	12026	8746	14167	12445	15205	16553	45247	50194	17365	12968	21312	0	12560	13405	13511	12197	16117	11992	5186	20211	8372	12987	9157	0	9023	19859	Organosulfur	0.3125	1.5	0.0
2	C13 H20 O6 N4	329.14557	329.14624	0.25369415	329.14563	7332	9408	8118	7652	8219	0	3717	8023	9070	1420	2523	6330	9865	3070	7267	2297	12160	9091	12173	2115	3531	13261	10058	13531	6317	0	0	3261	6717	5144	7958	6054	12750	5933	3157	5992	8905	6413	14819	1178	2207	11242	0	0	0	3532	1591	0	8054	4423	8782	6535	7861	0	9059	5662	5122	13042	3078	3194	2605	0	12388	8380	9959	10519	10849	17221	0	817	626	3942	6046	4501	1402	5251	0	3953	7830	6863	5835	1019	1913	469	6686	5367	8772	9845	9282	28230	7258	8581	36276	3540	0	0	7746	8394	4855	4563	4787	7334	5741	4091	1370	18246	6405	0	6631	15250	Peptide	0.46153846	1.5384616	0.30769232
8	C18 H20 O4 N2	329.1496	329.15015	0.20130843	329.14966	52016	65375	46203	64689	15944	17637	21688	36140	14638	80527	76283	23033	15011	13647	23106	41667	37158	15563	26717	95711	92630	47791	21038	41148	23244	100729	26189	150604	32261	33406	28203	37803	34249	33555	78188	30848	44515	23182	42340	69232	65724	22032	0	0	0	52888	49805	0	40946	33043	55036	57127	17437	0	13532	10264	11751	34602	3652	20567	42143	32902	13689	11866	9922	16861	18628	46830	82056	123562	138269	31089	30260	26488	25296	27672	0	20390	31923	263584	25523	15368	9431	54651	10144	10760	27860	22355	19027	62386	1235000	508678	53714	117577	97017	0	57593	61160	10803	13248	11015	35623	20395	41668	18331	35164	11926	0	27537	12974	Phytochemical	0.22222222	1.1111112	0.11111111
22	C18 H20 O4 N2	329.1496	329.15005	0.3109486	329.1497	5659	8238	4492	3626	2852	7977	7591	6328	2848	4624	6096	4344	2545	0	9218	7521	6763	15088	7345	0	5187	7156	6349	10727	7937	5577	5974	0	7965	5399	6261	8388	11533	4882	6426	5517	29490	8493	6922	6494	8697	4615	0	0	0	1974	5334	0	12749	5102	4524	2455	3238	0	2467	0	4659	6603	1734	6759	7204	5241	1994	1466	4999	3929	4871	3701	3564	4105	7611	5035	4255	2488	3955	5291	0	4796	10274	7675	7438	2449	1697	4240	2818	3946	18097	4617	5186	9646	6040	8228	7601	3651	3724	0	4052	4990	18192	2713	1792	11312	5135	3885	2393	9871	1676	0	12935	2999	Phytochemical	0.22222222	1.1111112	0.11111111
10	C16 H24 O7	329.1595	329.1601	0.27467236	329.15958	150636	134088	73106	128672	97158	102606	80660	114973	90250	76842	24140	59861	71874	34349	76807	133250	95433	138106	83144	136146	91268	143368	146564	112139	133084	19578	68708	35065	106420	197710	169820	108176	124229	83907	113888	233154	225358	68110	226616	61802	57744	59855	2765	0	0	133186	86568	0	109365	174204	78126	77951	107494	907	182034	114194	72396	108761	136506	94052	128531	41410	108454	111090	62944	117008	111192	111556	21339	25048	22434	78834	160046	102618	220328	91998	0	116588	85590	39640	63752	42312	80373	68974	65978	96224	167108	80728	109708	91308	58936	132712	121098	58842	100772	1128	161386	91368	35830	67247	80457	120309	55142	176930	24803	81859	56150	0	69090	120964	Lipid	0.4375	1.5	0.0
8	C16 H24 O7	329.1595	329.15997	0.18263099	329.15955	55846	32904	24114	67994	34764	16993	64496	91184	38538	16519	27784	54920	52506	11550	72350	106274	85332	25064	61632	39756	19507	70620	66946	42175	27187	6581	60860	9311	50032	39576	68184	92780	74736	54792	42598	90120	76742	58316	89752	28510	35880	44306	1022	520	812	49536	21221	431	48111	86196	88605	31763	19973	0	75470	46532	32008	43100	60356	50114	44917	7915	47960	26606	12760	43802	20977	39945	10312	6922	10157	54758	66110	45450	35676	81764	376	59818	80594	8900	59260	41632	67012	23864	49368	18427	37974	30758	24004	80880	19517	29877	47017	23614	19899	1056	29078	35804	16524	53296	27831	45258	55420	41743	14882	61166	23245	367	48886	44330	Lipid	0.4375	1.5	0.0
6	C16 H24 O7	329.1595	329.16	0.1764699	329.15955	10639	24670	19436	15742	12696	6226	12142	38724	15766	6708	6403	17390	8963	4215	12671	30624	14389	15652	23712	8358	14606	22668	11250	33288	8115	1308	9410	4653	28942	35166	27298	13997	22716	16520	13018	37768	22602	22480	34476	4138	8544	6377	0	369	624	10867	15748	294	33554	27830	23470	11135	11058	476	19222	14382	10280	29762	10992	18974	15166	3353	9238	6751	7542	10514	13648	15989	0	0	3811	10576	22152	39964	9057	24680	346	17600	20956	4883	15830	13950	11389	3302	19274	16282	11791	8692	10894	34248	0	14044	32182	6605	8814	661	21882	26290	5201	20966	13390	29118	9570	30388	6930	17310	16132	420	16990	13798	Lipid	0.4375	1.5	0.0
12	C16 H24 O7	329.1595	329.16003	0.25981754	329.15958	132566	137582	291494	130824	92914	178422	148294	353396	195364	73370	68619	176424	110355	59221	253346	413762	147351	259216	323670	107782	101336	126895	130323	169693	250434	44792	272368	61632	425280	309500	292074	356490	365138	290862	97349	326262	325906	222300	301074	131504	50114	190450	6091	893	1211	189040	71746	1199	403624	271304	136399	259264	200290	1265	345148	93801	155828	398610	118491	76087	199197	46365	110837	112188	61650	109327	210218	142193	27463	60562	44148	254980	263680	310424	323268	321150	936	220724	272840	48640	253334	75131	323022	84438	104806	165516	298742	125656	217016	149807	251574	290736	358786	58044	90296	2780	293772	151976	78558	108155	135995	179117	187234	129900	47187	274244	94955	852	215386	254500	Lipid	0.4375	1.5	0.0
28	C12 H25 O3 N4 S1 Na1	329.16177	329.1619	-0.4144737	329.16165	0	0	0	0	0	0	0	0	0	15628	0	0	0	0	12296	0	0	0	7973	0	0	776	0	0	0	0	0	0	0	0	9747	0	0	10204	7091	0	11920	0	0	0	18612	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9628	4680	0	0	0	0	0	0	0	0	0	0	6159	0	10208	0	0	0	0	0	0	12825	0	6380	0	0	0	20265	0	0	0	0	0	0	0	10342	0	0	0	0	2029	0	0	0	0	0	0	0	0	0	3174	0	0	5955	Peptide	0.25	2.0833333	0.33333334
0	C15 H24 O6 N2	329.17072	329.1714	0.075197935	329.17075	10400	11216	9040	8232	7700	0	5486	18695	8628	4338	1958	7603	9309	3909	6995	2472	11494	14224	11448	5342	9578	13384	9230	11329	4727	978	0	2469	24392	8351	16687	15970	22015	14429	10320	20285	16264	5071	14279	4819	3671	9534	0	0	0	5380	2899	0	21422	9680	10012	10505	9478	0	11155	5908	3810	24814	6371	5481	5923	2727	11050	11396	6782	10059	14631	12254	1286	2295	0	16725	21961	12575	0	16797	0	6762	7280	6387	4427	1859	3277	0	7716	6350	7858	9361	13588	12982	9860	11100	20684	3371	0	0	10555	11954	4284	4666	6699	10770	4648	8271	2501	17826	8336	0	5772	17206	Peptide	0.4	1.6	0.13333334
10	C15 H24 O6 N2	329.17072	329.1712	0.10496938	329.17075	39086	36314	37671	36754	21892	23623	37479	56508	25839	22582	13633	25970	33412	10300	41718	63992	36183	44224	42398	24132	21511	50289	36132	75174	41616	3389	37376	12523	52924	40818	43778	43457	65801	50185	28577	50234	63755	32860	37874	22279	16059	26991	0	0	0	37049	20492	0	54045	42144	38887	42356	24032	0	38562	15574	15615	58872	35386	17382	52864	8636	22920	22413	16248	34947	26517	43935	0	10258	8169	40650	38155	46075	36585	44259	0	34226	38376	19948	24882	18115	27158	6150	19325	20763	40147	27356	25623	49921	61494	75739	95216	13870	23680	0	41390	41219	16542	13538	17311	51453	29942	48311	0	52214	19330	0	34160	38558	Peptide	0.4	1.6	0.13333334
10	C20 H24 O4	329.17474	329.17523	0.08191916	329.17477	28794	29821	18965	28368	11737	13222	25439	36486	12209	16160	14390	21345	14140	10624	27089	36968	36708	15151	21114	21249	19151	34314	24404	35610	27819	29212	31907	12087	29524	32777	25788	28787	30562	19463	29941	26910	27278	28976	40970	26152	25866	16248	5519	3176	5183	28217	27981	5637	28444	30987	27781	28953	14091	3524	18190	16997	14648	29617	19148	27104	29735	12498	10544	15350	13247	10595	11719	46119	21992	23907	29264	17995	20774	30755	36900	29877	4690	21815	34182	19255	31353	29639	30497	16464	19820	16482	33766	11262	15119	51351	28013	22181	32640	21716	25457	4203	29054	32065	13944	26486	27917	28863	26643	31825	0	22639	15769	3844	29057	11991	Phytochemical	0.2	1.2	0.0
28	C20 H24 O4	329.17474	329.17517	0.16404611	329.1748	41361	37651	33509	37109	43969	23979	26456	44767	30618	31787	28650	23677	54530	36996	31651	47598	39892	35557	53782	42530	46885	39717	37087	47229	32918	54126	25730	31525	41383	44820	41902	41712	53970	34809	39670	46053	43224	26032	36728	32482	34212	34255	6468	4399	8759	29901	22212	8958	45530	42579	35738	38468	34420	8069	42704	50581	21845	51980	23364	19022	52792	18562	38165	29724	20719	54438	35995	35661	42859	52913	64329	28824	31597	38459	26158	39609	8289	27975	48521	32561	31062	19927	26258	26503	46376	20318	54385	27403	31335	63330	42662	39766	61748	24166	30341	4630	38896	38008	32158	86997	96934	55767	28330	42305	21594	46316	28543	4186	27700	34973	Phytochemical	0.2	1.2	0.0
6	C14 H24 O5 N4	329.18195	329.1825	0.12964168	329.18198	2566	1782	2690	2384	0	4365	1640	2317	825	0	1455	1085	1262	0	3203	1791	0	2112	1606	0	0	2577	1630	3582	3258	0	1184	9223	1553	1517	1682	2735	3283	1054	1545	1760	4717	3266	1362	0	0	1697	0	0	0	0	0	0	2046	1777	2962	1679	577	0	1158	445	589	1290	885	0	2137	0	1300	0	0	2053	550	2016	0	0	0	1056	995	1857	1520	1166	0	1893	2647	4589	1353	0	461	0	862	0	2701	570	0	6808	27934	7641	7150	1360	0	0	1277	2844	658	891	1067	2708	1701	0	0	2874	847	0	2000	2350	Peptide	0.35714287	1.7142857	0.2857143
0	C14 H24 O5 N4	329.18195	329.18262	0.08496889	329.18198	5742	6095	5077	4914	5106	46257	2785	7544	8658	1684	2987	3401	9236	0	3745	0	7386	5809	7359	0	2794	6731	5000	6269	3877	0	0	22624	8578	3050	7045	7632	12645	7090	1673	4302	8328	4640	7429	1460	0	10247	0	0	0	2017	0	0	6205	4786	5611	6868	6274	0	5964	2598	2849	7695	1829	1777	5282	0	3828	5274	5974	8136	7248	7279	0	0	0	6092	8966	6182	0	4065	0	3975	3437	105099	2880	608	0	0	3871	4826	3641	5139	7591	7917	55389	24210	10887	15233	0	0	6097	5692	4264	2215	4227	4458	3194	2083	0	10521	6089	0	4613	10555	Peptide	0.35714287	1.7142857	0.2857143
2	C14 H24 O5 N4	329.18195	329.18262	0.18925348	329.182	14070	14352	11930	12734	5820	0	7209	14112	13097	3112	7174	8169	8557	2015	15500	6874	8081	8453	11612	3737	4155	9911	12910	12192	9708	0	2892	30872	10671	10469	12871	12067	17480	9754	5381	9541	12314	10589	11813	2096	1325	6662	0	0	0	3795	2126	0	11164	9504	14853	13533	7599	0	13855	2716	4032	13001	4735	2042	8418	1158	5392	8178	4530	9661	7399	14250	0	704	554	10585	9165	10288	2746	9164	0	8320	8896	225732	6728	2001	2948	645	4357	8792	11496	7657	7381	21210	0	74116	31514	28796	1426	0	15335	15438	4094	2487	3236	10261	8790	6155	1624	15166	5447	0	7997	8267	Peptide	0.35714287	1.7142857	0.2857143
8	C14 H24 O5 N4	329.18195	329.18234	0.18782555	329.182	0	981	1054	1084	0	2635	1166	856	0	0	1601	935	0	0	626	2171	0	0	0	0	0	1693	0	1751	925	0	0	5276	1454	0	0	1806	1002	0	0	0	1520	1998	1411	0	0	794	0	0	0	0	0	0	1965	0	0	893	0	0	0	0	0	2476	0	0	0	0	0	0	0	1307	610	1559	0	0	0	1840	0	0	0	755	0	0	0	0	1217	0	0	0	0	0	1406	0	1007	2183	23040	0	3611	0	0	0	0	1606	0	0	0	1059	881	0	0	1406	0	0	821	0	Peptide	0.35714287	1.7142857	0.2857143
8	C19 H24 O3 N2	329.18597	329.18652	0.21736532	329.18604	11956	10909	11040	17086	2427	5576	9230	16733	1146	22353	20530	10371	908	2899	10786	19034	20811	2814	4097	38146	34228	12715	9689	20725	10804	20417	9756	19087	13972	13738	13758	19169	16262	15092	24030	15009	18471	8724	15768	21991	13230	5909	0	0	0	15606	18630	0	21401	15197	13223	12993	4480	0	1234	0	2217	15674	0	2073	16024	7605	0	1407	2055	2325	5751	20203	16436	29228	26555	18880	15709	14572	15982	18184	0	8599	9590	20003	6749	1604	1231	19943	778	0	7326	6416	5008	28496	17729	0	27591	17537	30230	0	12563	15543	822	0	0	18245	7328	11377	0	16780	0	0	9941	0	Phytochemical	0.15789473	1.2631578	0.10526316
6	C19 H24 O3 N2	329.18597	329.18655	0.199242	329.18604	12323	12723	10943	11162	4683	4797	5759	14949	2449	22010	12958	7054	1894	5291	7395	16831	11042	2573	2922	25079	25881	9452	7286	18783	10189	18522	7343	9303	11243	12451	10982	15279	14161	12722	20239	14891	12538	6122	12086	13540	9793	4091	0	0	0	12661	16122	0	15034	13744	12648	10645	4522	0	6548	1065	1606	12431	0	1883	14736	7964	3209	5224	2558	1793	4375	18109	11699	19766	21689	12422	13452	13670	10224	11650	0	7451	5876	9445	6060	1671	876	14003	7496	2307	7630	5624	4382	18675	14855	3356	16580	13343	30133	0	11622	9421	0	994	1188	12021	5050	8567	0	10815	3923	0	9078	2387	Phytochemical	0.15789473	1.2631578	0.10526316
12	C19 H24 O3 N2	329.18597	329.18646	0.15949778	329.18604	5368	7868	4112	2887	0	2351	2848	9304	0	10930	8329	3374	0	2622	4693	6594	6000	1273	2698	16492	15763	0	5183	8829	5388	22132	4801	14355	6014	7636	5489	6989	11556	8848	11990	10071	5300	4651	7756	11343	9083	3199	0	0	0	5601	6847	0	7403	6098	6167	4904	1924	0	1127	0	1865	7087	0	0	0	2234	0	0	2859	0	3406	10035	0	23145	23519	9375	7130	5591	4833	5593	0	5400	4377	0	3084	1402	801	9546	0	0	5347	6018	4691	13903	12031	2032	20501	5646	14702	0	6589	6084	0	0	0	7847	4545	2685	0	8302	0	0	5247	0	Phytochemical	0.15789473	1.2631578	0.10526316
10	C19 H24 O3 N2	329.18597	329.18646	0.1858011	329.18604	9851	10248	10190	9311	2055	6679	6155	17146	1479	22207	16409	8487	1220	2429	6735	13907	9781	0	3242	34570	30100	4887	6028	17427	9829	27773	7239	21704	12212	14933	10209	14341	13173	14296	21739	12454	17689	5547	9614	19975	9486	6393	0	0	0	12107	13035	0	16618	12539	12700	11679	4661	0	0	688	902	12674	0	2132	15863	5634	0	0	1599	1740	5490	22075	14748	32720	29208	16421	13617	11949	10364	13209	0	7322	5049	13400	6530	0	0	13978	0	744	6143	5799	5486	21061	23409	2326	26167	13852	22946	0	10672	9897	3135	0	0	13735	5514	10709	0	15017	791	0	7770	0	Phytochemical	0.15789473	1.2631578	0.10526316
18	C19 H24 O3 N2	329.18597	329.1864	0.22703892	329.18604	3359	5029	4922	4548	0	2213	4753	5034	1441	3539	8789	3427	0	0	2414	10087	9074	0	0	4084	6755	6949	4408	7603	3354	8241	3636	6074	3471	2808	3134	2936	6443	5238	5509	2753	6368	4093	11360	3537	16464	1886	0	0	0	4526	4879	0	7225	3568	4794	4367	2052	0	0	0	0	6497	1791	3863	5496	2665	0	0	1651	0	1268	11386	9544	6635	11714	3324	3933	4389	6673	5494	0	2593	6050	5867	2891	2432	2918	3486	0	1783	5199	4189	1875	21850	7238	7872	17454	2866	6039	0	3341	3025	0	0	1575	5268	3442	4865	1617	7196	0	0	5255	0	Phytochemical	0.15789473	1.2631578	0.10526316
20	C17 H28 O6	329.19586	329.19632	0.24893752	329.19595	31772	33032	32609	29561	23413	29971	79031	46398	18052	9721	7854	32924	35096	43702	32762	33793	19355	27298	38000	24981	10481	9112	16839	18098	30128	5644	58298	33478	131103	95609	68440	88413	85017	77884	12686	92877	77685	20470	14781	9720	3651	30863	8435	0	434	14878	3218	986	104381	36526	32326	34496	28215	1528	30792	19081	20272	44604	17843	7143	34916	2685	28667	27610	43035	49207	52538	14969	0	8651	3685	59786	64550	50750	35306	78459	841	49639	14294	46070	8948	10281	94702	49064	16607	24015	18419	24482	50090	16924	89076	57198	20016	10779	9460	1207	34436	36092	15572	17344	26323	77752	46352	51672	18235	24321	22345	0	17699	26596	Lipid	0.3529412	1.6470588	0.0
14	C17 H28 O6	329.19586	329.19632	0.20618679	329.19592	4666	7196	7210	12149	5080	2242	25484	10955	2874	0	0	4514	3711	6429	4609	12530	10751	1458	5110	0	0	4971	4568	3314	6260	9905	21702	0	7010	6561	6745	8542	9975	8073	0	13069	7070	5397	13426	0	0	4065	0	480	0	2031	0	476	13553	11841	10852	9797	3390	0	4369	4378	2570	10303	0	0	0	1755	3251	4662	9507	5755	6053	14162	0	0	1724	8413	8973	16188	10648	9658	0	4329	4327	0	2906	3600	64261	46093	23866	8638	6486	3509	4457	11516	7684	5781	8592	0	0	0	8325	10509	1756	11825	16106	6793	2776	3408	0	7255	11880	413	6778	0	Lipid	0.3529412	1.6470588	0.0
26	C17 H28 O6	329.19586	329.19617	0.382959	329.19598	0	0	0	0	0	0	5807	0	0	2298	0	0	0	0	0	0	10483	0	0	0	0	0	0	0	0	0	4044	21703	0	0	0	0	0	0	0	0	2424	0	5870	0	0	0	0	0	0	0	0	0	2678	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2692	3264	0	0	0	0	0	0	0	10981	0	0	0	0	39423	0	0	3429	0	0	0	2459	0	0	2271	18098	16669	0	3090	0	0	0	0	0	0	0	0	3577	0	0	0	0	0	0	0	Lipid	0.3529412	1.6470588	0.0
16	C17 H28 O6	329.19586	329.19632	0.23327337	329.19595	12479	9897	12709	12085	3820	5959	41203	14631	5409	0	2217	8357	8330	11410	10652	16952	20134	9309	7535	4637	0	3070	8043	12033	8465	8597	27759	3381	18733	20539	15875	24846	17832	13090	2573	19190	14393	9014	24701	0	1756	12197	2328	0	0	4527	2302	0	24390	12252	8105	10696	7432	373	7052	5654	4954	22133	3667	3507	17037	0	8346	4976	10626	10555	15421	18244	0	3939	0	17013	20957	17151	22068	18135	348	9939	8381	6520	4593	3949	79105	52078	8503	6883	15407	8955	10991	0	18634	9057	0	2751	3354	0	7860	15986	5527	7693	13215	18455	7795	5237	0	0	7097	776	10913	2344	Lipid	0.3529412	1.6470588	0.0
12	C17 H28 O6	329.19586	329.19635	0.24825013	329.19595	4514	3650	4526	3544	2027	1290	9486	2821	1517	1507	0	3018	0	1461	2114	7484	12108	0	0	1601	0	0	1207	2989	2477	1663	12688	0	12380	10066	3887	8196	13571	6687	2422	7460	11705	2654	11221	0	0	2035	451	0	0	3153	0	0	8357	4807	2698	5176	1098	0	1507	1228	1521	8340	0	0	0	0	1320	1342	2867	1743	2784	8854	0	0	0	2529	7265	11619	14887	8780	0	3459	2115	0	2129	2856	22740	11332	3072	2543	5271	1526	2265	4825	3494	5047	3912	0	0	0	4410	3352	1805	2942	2442	8769	2480	6062	0	3679	1233	0	2380	1247	Lipid	0.3529412	1.6470588	0.0
10	C16 H28 O5 N2	329.2071	329.2076	0.22029033	329.20718	6398	5495	4874	5709	2894	2336	6703	9348	3315	1756	0	8622	5033	1545	28144	9302	1724	2466	3580	1709	0	3978	23842	9695	25411	0	3611	0	6544	8213	6779	6673	5289	5711	2422	5106	5816	19161	1919	0	1020	2430	0	0	0	3235	1700	0	7258	9927	5369	4192	2093	0	4755	7963	2095	17688	0	0	9936	0	1818	2865	1376	4467	2711	1535	0	0	0	11224	4970	3603	1369	5578	0	14385	3288	0	5966	0	0	0	6673	3422	6290	3399	3677	3112	12903	8401	14735	0	0	0	5963	5284	3904	9947	13264	6248	17985	0	0	6820	4320	0	9952	5134	Lipid	0.3125	1.75	0.125
20	C16 H28 O5 N2	329.2071	329.20703	0.46761584	329.20724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1711	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7945	0	0	0	0	0	0	2043	0	0	2350	22663	12623	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3125	1.75	0.125
6	C16 H28 O5 N2	329.2071	329.2077	0.2530548	329.20718	15196	10478	10706	10455	10203	10756	9230	20998	6831	3822	2980	8790	13185	8781	14107	29053	17806	9811	10812	6033	4183	15656	10334	20094	17470	0	7591	0	20706	11179	18555	16677	26496	12241	8004	16964	23539	10185	20830	2155	752	7769	0	0	0	6276	2529	0	21937	12234	13311	11173	10416	0	9754	5008	3406	36841	1234	0	29819	0	8873	4198	2840	11661	8087	26992	0	2343	0	9894	10071	12668	15144	13119	0	9752	9130	0	5837	2020	1755	921	5541	5161	19328	8322	10676	28485	22014	15336	28169	2135	1474	0	11855	13696	4146	5321	6875	23299	7813	6768	0	21848	4556	0	11306	14989	Lipid	0.3125	1.75	0.125
12	C16 H28 O5 N2	329.2071	329.2076	0.33584058	329.2072	0	1752	0	2116	2065	1573	0	1519	0	0	0	0	0	1201	1505	2488	3611	1537	1895	0	0	0	0	0	1318	0	0	0	1347	1298	2023	2236	2416	2283	0	0	2425	0	1858	0	0	0	0	0	0	0	0	0	1338	0	0	0	1321	0	1286	1151	0	4124	0	0	0	0	1214	0	0	1454	893	5201	0	0	0	1698	0	1179	0	2017	0	0	1903	0	0	0	0	0	0	1448	2109	1716	0	0	20974	6378	2241	0	1635	0	0	0	0	0	0	0	0	0	0	0	1244	0	1451	0	Lipid	0.3125	1.75	0.125
4	C16 H28 O5 N2	329.2071	329.20776	0.23865749	329.20718	14066	16039	13850	14309	12346	11180	13491	19202	11842	5308	1768	8293	12408	8955	15949	26070	16476	13779	11991	6783	5046	11880	11677	27398	17348	599	12598	0	20551	12854	21509	20710	28379	15413	11523	24080	24586	12898	16027	3206	1414	7274	0	0	0	7901	1362	0	20505	11342	14198	14345	11690	0	7609	2957	3443	28004	2229	0	21422	2174	5411	5662	3750	10298	8537	17569	973	3025	2212	11293	12076	14291	10723	12197	0	14312	8601	6248	8449	1510	3368	1447	3554	6372	17137	7694	11023	22873	27670	16425	55671	2210	4667	0	13329	15564	7240	3488	4576	25954	9860	12151	0	17529	9773	0	10460	13768	Lipid	0.3125	1.75	0.125
28	C21 H28 O3	329.21112	329.21158	0.18618703	329.21118	45167	39514	39383	37854	43354	26188	40689	54925	36851	30028	37089	24686	44671	33654	139593	50186	47467	34610	58113	42118	38955	36561	37514	39590	57459	68849	38846	57473	48467	58923	46274	50302	56364	41038	41066	64255	50484	91248	46384	33543	30139	49649	7765	5728	14523	28899	23179	7112	47655	45628	41685	39426	42379	12780	46534	41969	28935	57081	36626	20598	50305	26169	33361	30572	24749	43013	55523	49646	61719	41834	48114	30597	35575	57029	30577	46636	13615	32852	50485	48433	32691	26185	34719	31498	51423	36700	90134	31080	33929	56464	42727	54505	57925	41225	36560	7194	43003	45008	34083	61440	71779	70890	26788	43787	28040	46551	51943	8340	37964	39034	Lipid	0.14285715	1.3333334	0.0
16	C21 H28 O3	329.21112	329.2116	0.23540272	329.2112	19979	22981	14589	16603	9145	7440	23786	15790	9380	5499	9564	15851	8915	9946	17975	26032	47443	5511	14761	11333	10081	14089	16253	20639	19477	12991	30217	9770	15509	15201	15728	21932	18506	9396	6718	17998	16276	20200	48341	7785	15709	11300	917	517	590	5916	12295	921	22890	23100	20949	16343	10101	474	13431	14253	14679	26497	11747	23485	16415	3255	10039	7588	11869	9032	12141	57850	13024	14043	18504	8356	9585	19604	43712	19865	634	10839	30371	14184	19802	9581	22285	11944	20342	13557	36925	8321	14162	53779	22138	19660	0	12600	15135	776	18003	24157	13182	25470	29694	27009	13608	12694	5293	24206	14140	345	28589	6010	Lipid	0.14285715	1.3333334	0.0
2	C15 H28 O4 N4	329.21832	329.219	0.22098187	329.2184	1002	1713	806	1122	314	0	1239	1144	0	0	0	1091	401	0	1211	1225	1530	674	556	0	0	673	1169	2202	1461	0	0	5394	1976	1707	880	1581	2134	1462	0	1142	1135	833	2561	0	0	0	0	0	0	435	264	0	1244	832	1216	1753	0	0	293	0	0	2197	0	0	1343	0	0	297	0	999	993	1980	0	0	0	1284	718	1453	2429	768	0	1173	992	10526	791	0	0	421	0	0	2374	681	0	3166	26201	9095	3052	2111	324	0	2309	2190	0	0	0	1256	1199	436	0	1752	0	0	1743	0	Peptide	0.26666668	1.8666667	0.26666668
0	C15 H28 O4 N4	329.21832	329.2189	0.09602287	329.21835	2096	1863	2019	0	0	0	2367	2608	1019	0	0	2379	0	0	1702	0	4913	1255	1161	0	0	0	2155	2660	2092	0	0	4221	3703	0	1605	2657	4769	2841	0	3415	3892	1822	4913	0	0	1660	0	0	0	0	0	0	3005	2247	1810	2706	1207	0	1031	0	0	3202	0	0	0	0	0	0	0	2503	0	3556	0	0	0	1830	3403	3668	0	3622	0	2078	2463	16623	1670	0	0	0	0	0	1471	2343	2016	2098	22451	7327	4007	1622	0	0	0	1704	667	0	0	2432	1784	0	0	4905	894	0	2335	1815	Peptide	0.26666668	1.8666667	0.26666668
26	C18 H32 O5	329.23224	329.23254	0.31221384	329.23236	14133	10656	12352	10895	3982	2668	33594	0	2858	8628	52545	0	0	36568	0	0	0	0	8427	0	0	1703	0	0	0	4848	32319	123905	0	0	0	0	4803	2581	5631	0	2085	3240	3476	2696	2997	144556	5611	0	0	0	8939	0	4812	0	11817	10104	5280	0	0	6018	4354	3227	6795	3938	7367	3099	3900	0	13067	10072	30510	2640	0	0	2566	0	0	0	0	2385	0	0	4219	115395	0	135263	17149	12483	0	0	2697	81791	19423	3833	119108	98307	0	19762	5483	0	15288	18405	9509	1928	0	0	0	0	92725	3935	0	0	2719	2517	Lipid	0.2777778	1.7777778	0.0
18	C18 H32 O5	329.23224	329.23245	0.23922877	329.23233	0	0	0	0	0	0	7310	0	0	0	0	0	0	2332	0	0	0	0	0	0	0	0	0	0	0	4489	8702	1515	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1412	0	0	0	0	0	0	0	0	0	0	2928	0	0	0	0	0	0	0	0	0	0	0	0	0	0	82464	0	0	18445	15186	0	3026	0	0	0	0	30693	11265	0	2131	0	0	0	0	0	3632	7425	0	0	0	0	0	0	0	0	0	Lipid	0.2777778	1.7777778	0.0
20	C18 H32 O5	329.23224	329.2326	0.23881935	329.23233	0	3093	2947	3872	1381	4035	41549	0	0	0	0	0	0	28690	0	0	0	0	0	0	0	0	0	0	0	7096	35305	3623	0	0	0	0	0	0	0	0	0	0	0	0	0	7125	871	0	0	0	0	0	3883	1977	2739	0	0	2609	0	1650	7823	0	0	0	0	0	2039	0	22476	0	12287	2016	0	0	0	0	1520	1838	0	3208	0	0	0	114968	0	1290	51834	45590	4005	11185	0	6534	3218	1753	86044	31231	0	2380	0	0	2124	4350	0	7725	36744	0	0	0	0	0	9305	0	0	0	Lipid	0.2777778	1.7777778	0.0
28	C18 H32 O5	329.23224	329.23224	0.44040397	329.2324	0	0	888	0	0	0	1618	0	0	0	2410	0	0	0	0	0	0	0	0	0	0	982	0	0	0	0	1544	4173	0	0	0	0	0	0	1012	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1025	0	0	0	0	0	0	0	0	0	0	0	0	0	1233	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5865	0	0	0	0	0	0	0	1460	1077	1166	71216	27567	0	1430	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	820	Lipid	0.2777778	1.7777778	0.0
22	C18 H32 O5	329.23224	329.23264	0.23067507	329.23233	11907	9883	11139	10113	3351	19653	133956	3500	0	2145	4052	0	2138	48490	0	2037	2468	0	0	0	0	2058	0	0	0	15180	127655	25539	2123	4632	1958	7189	7340	4221	0	5232	3074	0	4514	1958	0	20583	4116	0	0	5537	1999	0	20467	9764	10312	8988	0	16786	0	3723	11030	3995	0	6338	5798	0	14848	0	46282	13043	13188	1514	0	0	0	2301	0	1877	1175	9339	404	0	0	127548	0	10339	91341	93470	6778	15139	2251	13045	6872	0	105220	111712	1747	7247	4349	0	6738	8658	5768	8471	48265	0	0	3300	4846	1419	16107	0	0	21826	Lipid	0.2777778	1.7777778	0.0
16	C17 H32 O4 N2	329.24347	329.24374	0.29832146	329.2436	0	0	1580	0	0	0	0	0	0	0	0	0	0	1458	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1076	0	0	0	0	0	0	0	0	0	1663	0	0	0	0	0	2519	0	0	0	0	0	0	0	0	0	0	0	0	11703	4040	0	0	0	0	0	0	20037	0	0	0	6215	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2448	0	Lipid	0.23529412	1.882353	0.11764706
28	C22 H32 O2	329.2475	329.24796	0.20867977	329.2476	20763	20866	22779	19800	17819	9429	38422	22556	13549	9615	26849	16950	9497	14019	40039	26785	48484	13823	23979	13544	11506	14848	26569	14813	40530	47524	34666	37552	32074	36158	15336	30867	27219	16238	13581	37208	16421	49973	48807	12023	14266	17385	3215	1812	0	11738	10323	1719	22624	26104	19179	19605	17855	0	18235	16628	13303	31359	18502	11999	27953	11276	7625	10935	16159	20774	37975	50825	31895	13415	19399	8978	12673	35177	19803	29052	3719	15138	31928	39931	19419	19028	23380	18436	28641	20202	80921	13513	16449	44058	28592	25655	16111	29253	15285	1670	19211	21979	16104	29293	42428	36283	15456	24340	19231	23330	23403	1842	26647	6690	Lipid	0.09090909	1.4545455	0.0
22	C22 H32 O2	329.2475	329.24796	0.24917284	329.2476	11864	15872	11287	13831	8322	5616	41631	8385	6339	6184	8325	12641	1885	9897	10296	21375	61847	3768	13405	4441	3176	3190	10466	6124	19095	13861	45084	7317	15579	20938	11532	17890	17481	7691	4799	26002	14976	18095	56074	3412	9176	11201	0	0	0	5128	8521	0	13922	14862	18839	13974	7437	0	5238	9609	13635	18662	5314	15946	16819	2249	6059	5620	15296	6850	18802	60319	6671	5088	13208	3499	8357	20099	47983	19561	0	9051	26031	13580	13953	4765	18465	12199	8396	16485	38262	10613	10250	64443	12643	8829	8007	5601	3686	0	11886	16134	10023	12294	17325	25104	11570	8416	5275	7893	9545	0	22469	2415	Lipid	0.09090909	1.4545455	0.0
14	C21 H32 O1 N2	329.25873	329.2592	0.25565043	329.25882	1997	2877	2481	1637	0	0	0	7629	0	0	0	4361	0	0	2110	2498	0	0	0	0	0	0	16762	0	0	0	4318	0	1502	7440	8754	0	0	2017	0	1742	2340	14900	0	0	0	2012	0	0	0	0	0	0	7358	1964	3316	2064	0	0	0	0	955	2564	0	0	0	0	0	0	933	0	1081	13490	0	0	0	5182	1554	0	3566	4815	0	4897	10081	0	29304	0	0	0	0	0	5018	2624	1875	0	0	0	2298	0	0	0	2072	2030	0	0	0	0	6856	0	0	5291	0	0	7994	0	Lipid	0.04761905	1.5238096	0.0952381
28	C19 H36 O4	329.26865	329.2691	0.2309971	329.2687	9816	13979	12878	10705	8877	6174	22417	11013	10138	6040	13063	11440	5382	11821	108671	11173	17893	5391	3709	6553	5950	9189	8836	6528	10466	9413	22346	17981	8965	8387	15486	26401	20293	26158	8296	16433	17912	218636	18142	9683	6763	8038	11909	20220	15431	7161	7393	17189	11746	12697	16543	13282	9945	15069	4193	10814	14764	12919	6685	10892	11668	7619	4990	4300	9150	4336	4643	15424	197085	6473	5766	14774	16514	16341	16987	16715	15903	21243	8051	19670	13523	16360	11220	13861	5746	7499	6365	12123	11612	8105	32957	24066	5572	9231	5335	22836	10776	13135	12733	7814	7457	19642	25716	8101	11003	5840	7309	20879	16023	6891	Lipid	0.21052632	1.8947369	0.0
22	C19 H36 O4	329.26865	329.26874	0.267364	329.26874	0	0	0	0	0	0	4099	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5771	5435	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34568	0	0	0	0	0	0	0	0	0	0	24212	27134	0	2490	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21052632	1.8947369	0.0
26	C19 H36 O4	329.26865	329.26904	0.2804054	329.26874	14567	16344	14547	14505	1916	5637	117589	18548	2593	2314	22641	35772	0	30116	42148	15808	24354	0	0	0	0	0	0	0	15950	0	92763	135441	13977	12251	6546	47727	55966	58675	0	45163	34751	100980	32634	2711	2762	0	5582	0	0	0	0	0	7051	11679	17117	12667	0	0	0	9922	29001	14186	3804	0	12777	0	13065	0	59339	1480	4807	33101	31003	2882	1531	10194	64144	36688	36407	27453	0	42853	0	128164	3529	6734	14877	12226	17167	37752	4005	0	0	1935	98871	96210	0	22053	0	0	17791	17245	14750	15761	96893	41550	38683	0	0	10532	35999	0	22922	9124	Lipid	0.21052632	1.8947369	0.0
16	C18 H36 O3 N2	329.27988	329.2804	0.296946	329.27997	1628	0	0	0	0	6406	0	0	0	8001	0	0	0	921	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9942	0	0	0	0	0	0	0	0	1867	0	0	0	0	0	0	9834	5059	0	0	0	3325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32226	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3612	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7886	Lipid	0.16666667	2.0	0.11111111
26	C23 H36 O1	329.2839	329.284	0.22903802	329.28397	0	0	0	0	0	0	24344	0	0	0	2289	0	0	6280	0	0	0	0	0	0	0	0	0	0	0	0	25800	2981	0	0	0	0	0	0	0	0	0	0	7381	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5430	0	0	5350	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3262	2185	0	0	5807	0	0	6656	0	0	0	0	0	0	1904	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.04347826	1.5652174	0.0
12	C17 H36 O2 N4	329.2911	329.2916	0.122999765	329.29114	0	0	0	0	0	0	10922	0	0	0	0	3213	0	0	2861	2246	17176	0	0	0	0	0	0	0	0	0	11937	0	0	0	0	0	0	0	0	0	0	3627	19435	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23893	0	0	0	0	0	0	5451	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1826	0	0	0	0	0	0	0	0	0	2354	0	0	0	0	0	2251	0	Unclassified	0.11764706	2.1176472	0.23529412
24	C16 H11 O7 N1	330.06082	330.06128	0.2827405	330.0609	4326	4102	3749	2927	5808	2122	0	0	6855	3727	1554	1438	4557	1952	1890	2749	1313	7113	5525	0	4556	18616	2749	3304	1384	0	0	0	0	0	1635	0	1940	0	6292	0	2434	843	2388	3813	12626	2775	0	0	0	1431	6363	0	1043	0	2065	2874	2899	0	8560	3467	2360	3155	995	4408	1637	4003	7466	8202	2029	5977	4026	3872	0	0	1951	0	0	0	1264	0	0	959	4759	14302	3191	3598	2462	1645	5103	4151	3976	4180	2696	3931	3789	3201	2683	21024	19277	0	2903	2695	3244	4721	5398	3220	1083	3148	0	2957	1997	0	3526	10847	Phytochemical	0.4375	0.6875	0.0625
22	C16 H11 O7 N1	330.06082	330.06128	0.2916234	330.0609	4212	5627	2426	4049	2630	4283	1704	1690	7535	9710	3265	2800	6051	0	2522	3888	3414	10050	7280	3018	4836	23220	3291	3786	2100	0	1066	1334	0	0	1075	0	2391	0	6715	0	2560	3073	3811	7627	17832	2777	0	0	735	2878	8667	0	2513	2758	5738	2853	3035	617	6944	5458	4403	3542	3730	3936	0	7046	10262	8659	3477	7130	5925	3736	0	0	0	1881	0	0	1923	2123	316	1667	8619	20124	4509	4373	1740	1489	6403	2451	4521	5149	3256	10191	5072	2781	8033	28082	28364	0	4173	6820	5317	9309	2915	2791	2172	4649	3406	3642	2780	0	1689	10448	Phytochemical	0.4375	0.6875	0.0625
12	C16 H11 O7 N1	330.06082	330.06137	0.35308027	330.06094	6632	7118	7119	3639	14660	3279	2356	2303	12843	13330	7496	2127	20066	3827	2235	3661	8532	17847	16653	3570	10489	19613	4226	4946	0	1741	1749	0	0	0	3275	0	6348	1316	19934	2050	3569	4547	4638	4974	14778	5659	0	0	0	2610	10272	0	2574	0	4470	4765	11002	0	18124	14685	7829	4210	0	0	0	4163	25348	18163	4887	19308	7486	6974	0	6050	13062	1135	0	0	2016	901	0	1346	9674	0	7516	3801	946	3334	15242	5552	9161	9234	7636	20114	4210	5141	13917	21137	18928	0	9869	7729	13001	16357	12821	6021	2213	2902	0	5348	8966	0	3287	21871	Phytochemical	0.4375	0.6875	0.0625
24	C17 H15 O6 N1	330.0972	330.09766	0.29322743	330.09732	4180	4804	3123	6276	3543	1872	0	1931	2036	18603	9628	2390	5539	1953	2204	2629	4111	7119	2656	4135	11469	19892	1595	6122	2063	4015	1263	4834	0	1193	2072	1538	1593	0	10701	1834	1654	1431	2885	10825	18345	2486	0	0	0	7659	13516	0	2060	1227	2382	2897	3723	0	3370	0	2281	2559	2655	2450	2233	8010	5193	2449	1615	4338	3386	3340	12256	6467	14987	2227	1568	0	1783	2083	0	1123	3579	16617	5065	5785	1605	5239	1192	0	3699	3360	2092	4921	2419	5495	4163	26007	19395	0	5583	4756	2823	2857	2758	2364	1909	3651	6473	4093	1645	0	2303	2977	Phytochemical	0.3529412	0.88235295	0.05882353
16	C14 H19 O6 N1 S1	330.1006	330.1011	0.3122805	330.10068	8512	6075	9263	6679	9026	8040	4458	3018	5232	16645	5099	3362	15590	3665	3024	7704	9459	9807	9104	13434	12487	18826	5750	5597	7401	9070	4379	8000	6428	3133	5298	4846	11165	8294	9691	4509	7217	4261	8432	23546	14134	5222	0	0	0	9931	9066	0	4816	3026	6917	6330	7239	0	3111	5711	4325	10088	12898	7056	0	17122	3924	4286	2382	8067	7332	6121	8947	14712	8262	0	2997	2025	4533	5648	0	3479	6334	18032	4694	7443	8794	10959	5104	2629	6037	6753	4400	0	31274	37802	0	20781	29221	0	10498	7628	5044	4528	5478	6792	1980	14452	5797	0	9149	0	4855	5743	Organosulfur	0.42857143	1.3571428	0.071428575
14	C14 H19 O6 N1 S1	330.1006	330.10114	0.30773917	330.10068	14622	16150	11491	11435	11934	9441	7303	4424	9951	26931	14094	4628	16774	5020	5762	8617	9732	12604	11120	25303	22007	38820	6373	8785	11178	13543	5950	10129	5930	5333	4630	0	10516	6000	27323	7048	10893	4832	9985	38057	21870	9211	0	0	0	21845	16285	0	10552	4291	15011	10152	11078	0	7060	7367	5104	16762	17510	15142	0	23647	7803	6241	4048	11359	7790	11684	0	17319	14186	6369	5671	4865	6234	5788	0	3466	6141	18062	2553	13833	16795	18580	8623	4704	12197	7416	8210	11781	61981	70137	17801	26974	44222	0	13677	10322	6258	8210	10338	7767	4546	23523	0	8143	12445	0	6748	15667	Organosulfur	0.42857143	1.3571428	0.071428575
22	C19 H16 O3 N1 Na1	330.11008	330.11047	0.32737428	330.11017	24999	20337	23347	22219	14038	40283	42865	2059	3903	0	0	9519	4903	14431	2483	5145	132588	169025	287937	0	0	0	3886	0	17780	0	63359	1319	14972	7190	5118	17576	10691	19419	0	14065	13822	4080	118127	0	1536	63493	0	0	0	2579	4489	0	11600	2128	27558	22008	18579	0	8383	11250	34857	3183	3270	18823	3513	0	0	4466	151518	9953	21999	211663	0	0	0	2075	4582	0	19954	7590	0	7993	12311	1701	3402	3452	9983	0	133146	183428	13577	747332	418456	6280	24594	20287	0	0	0	4631	22692	22202	54768	27041	22571	16058	10002	19336	0	2782	36010	0	10080	0	Phytochemical	0.15789473	0.84210527	0.05263158
20	C19 H16 O3 N1 Na1	330.11008	330.1107	0.8176101	330.11032	15869	12462	14468	11684	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4508	0	0	0	0	0	0	0	0	0	0	0	782153	3040	0	0	1140420	0	0	0	0	0	0	0	0	0	0	0	1663	2053	15679	12763	0	0	0	0	0	0	0	0	0	0	0	0	0	29079	0	0	0	0	0	1432	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1703	0	0	0	0	0	0	0	0	11610	10357	0	0	0	434725	0	0	0	3145	0	0	0	0	Phytochemical	0.15789473	0.84210527	0.05263158
0	C13 H19 O7 N3	330.12958	330.13028	0.13775277	330.1296	4796	5204	5689	4848	7706	9589	1499	8400	6308	2107	0	3160	13253	0	2129	0	2317	10990	10020	2158	4233	7778	4246	6039	3606	0	0	1250	11329	2995	7481	8959	11837	7677	4325	6603	7296	1899	3254	1327	1124	8633	0	0	0	2832	0	0	8622	4033	4671	4475	8637	0	6435	3933	2287	12083	1237	1515	0	660	18182	7383	5309	11482	14296	6883	0	0	0	4773	8368	5440	0	7898	0	3523	2368	0	2254	0	0	0	4089	2016	2646	6285	7979	5592	4970	5222	12213	1191	0	0	5181	5631	2356	3968	4257	6760	2795	2720	0	13955	3611	0	2146	24514	Peptide	0.53846157	1.4615384	0.23076923
18	C15 H23 O5 N1 S1	330.13696	330.1375	0.36957338	330.1371	3237	5309	7136	2463	5436	6680	3059	2109	3191	12105	7359	1917	2773	3100	2412	5539	4777	6966	3426	13481	6947	12485	3305	3489	5198	7654	2297	6884	0	1832	1951	3156	3228	0	7337	2116	3085	2421	5677	10194	9066	3232	0	0	0	5574	10693	0	1630	1949	3767	5334	4324	0	2032	3517	1235	5929	5129	9351	3945	7800	2209	0	1339	1528	4682	3877	3008	2979	4234	1762	1450	1295	2672	0	0	2105	2508	8436	1103	8185	6683	4622	1550	1498	5918	3105	2598	13503	24633	31116	3871	7867	23204	0	4877	7640	4329	1618	1730	3854	0	11952	5666	6061	3121	0	3553	2895	Organosulfur	0.33333334	1.5333333	0.06666667
16	C14 H23 O6 N3	330.16595	330.16653	0.6196527	330.16617	0	0	0	0	0	0	0	0	0	0	0	0	3474	0	0	0	0	0	0	0	0	0	2618	0	0	0	0	24952	0	0	0	0	0	0	0	0	0	1976	0	0	0	0	1570	1270	0	0	0	1550	0	0	0	0	0	778	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	387	0	0	0	0	0	2826	0	0	0	0	0	0	0	0	0	0	0	0	1338	0	0	0	0	0	0	0	0	0	0	0	534	0	0	Peptide	0.42857143	1.6428572	0.21428572
12	C14 H23 O6 N3	330.16595	330.16653	0.22701928	330.16605	3892	3467	3077	3443	0	2018	0	4449	1936	0	0	1533	2259	1447	4383	3756	2196	1991	2753	0	0	0	2743	3022	3818	0	0	20161	4796	3132	4693	3306	2985	4563	0	3266	3357	3856	4210	0	0	1493	887	1011	530	0	0	1475	2092	3054	2982	0	2222	779	1702	1209	0	4977	0	0	0	0	1522	1277	1676	1814	2074	4578	0	0	0	3700	2742	1784	1817	3436	547	3438	3710	17606	1356	0	0	0	949	995	3046	1667	2600	5121	65516	39069	9050	3362	0	1001	3511	4139	0	0	1076	1913	2890	0	0	3877	991	1252	3000	0	Peptide	0.42857143	1.6428572	0.21428572
8	C14 H23 O6 N3	330.16595	330.16653	0.30196452	330.16608	83030	86893	72164	82932	25771	29939	51345	98458	24663	162761	98003	52281	23913	19328	67371	110659	59336	31677	49295	197970	195541	75219	49125	90049	41872	219385	49506	94183	71352	65544	74493	78873	73358	73562	185463	70589	85501	93205	72390	105953	82539	34887	595	0	0	85600	82686	0	96324	80250	78548	70064	28314	0	29551	11979	21149	92320	7302	20155	101178	53999	24516	22378	19354	31890	35455	77636	153378	269726	286832	93587	59605	58648	61748	67662	0	63887	53320	99044	39338	16078	13256	80302	19957	16254	46862	35721	38233	100133	125806	72641	115229	68853	129492	404	78605	77492	16229	13448	13591	75412	52035	65602	24942	66594	17520	0	47004	27561	Peptide	0.42857143	1.6428572	0.21428572
0	C14 H23 O6 N3	330.16595	330.16666	0.088477485	330.166	23043	18893	20506	18538	18427	23194	6328	28287	25251	5546	12791	14293	30475	9395	14952	4995	13685	73314	27445	6489	10539	21392	18934	22198	9841	0	0	24966	33256	11406	26839	25840	48566	35444	10517	26678	34808	11972	23143	3631	3177	25671	0	0	0	7666	2292	0	28338	18198	20606	21026	25253	0	21117	13583	8825	34649	7369	4756	13289	1987	20193	21315	21052	33206	32856	24007	727	1990	0	34824	36638	16737	2141	26514	0	13193	11394	49788	7423	1842	3655	0	13183	12574	10439	25561	26723	15417	102141	54588	37443	25212	0	0	22159	20868	12149	13313	15863	20103	10311	9548	2155	30707	24595	0	9003	49523	Peptide	0.42857143	1.6428572	0.21428572
10	C19 H23 O4 N1	330.16998	330.1705	0.13130625	330.17	54663	46137	48150	47115	21368	23136	25838	40764	17984	147313	91834	27805	14663	17066	23225	36165	39127	23212	32996	164831	188743	51028	28896	50259	25885	237840	26090	88509	36152	38737	34291	39366	54354	36846	158214	37833	48063	22924	46030	96957	86020	18259	1165	0	449	54780	68818	995	45144	35960	53250	49411	21835	486	17893	8931	13410	45693	3133	20425	42980	41165	15321	15517	10304	22433	24078	53299	171522	283631	303796	35469	34731	35561	44746	36445	615	24162	27723	37295	24507	15974	7765	66909	14793	11127	25793	25954	22106	58270	51658	20037	75679	58179	92039	554	45242	53412	17445	11306	11273	48797	23266	33743	0	40472	12724	553	28998	13596	Phytochemical	0.21052632	1.2105263	0.05263158
12	C19 H23 O4 N1	330.16998	330.1705	0.17837308	330.17004	60414	65007	62673	58706	24090	17936	53881	78665	16110	132096	94062	57219	11879	15235	38187	94032	105862	21761	32050	155632	183069	51364	41615	69807	35951	190687	59736	87111	64635	69520	69824	77624	71579	74729	165000	79328	60404	48637	138383	116442	166986	24389	897	0	330	68147	105513	0	79230	80425	66910	58347	25241	361	18692	9213	15894	69736	0	58190	55025	52436	18407	13456	15396	17346	31601	147483	132889	246602	297094	77450	85310	73388	101830	72631	0	46415	54635	42376	55555	17308	17201	87154	12070	13705	56006	32440	28688	137481	56093	33158	96449	48595	74915	0	65063	67899	17420	9013	12061	69851	45450	63088	27884	73637	17657	399	66889	14860	Phytochemical	0.21052632	1.2105263	0.05263158
26	C19 H23 O4 N1	330.16998	330.17035	0.4118156	330.17014	5109	6812	4071	4137	3298	0	1936	0	0	2635	5741	5048	5968	1935	0	0	0	0	0	0	0	4940	5854	0	13807	0	0	5132	0	0	0	0	2370	0	4089	0	2624	4664	5450	3249	5882	0	0	0	0	0	0	0	2536	0	3998	4916	0	0	0	0	0	5426	0	0	0	0	0	0	0	2758	0	9766	0	0	7282	0	2917	0	0	0	0	0	109599	7673	3436	0	0	0	0	0	74795	2362	0	80193	3485	5740	26659	4396	0	0	4085	0	0	0	0	0	0	0	0	4310	0	0	20558	0	Phytochemical	0.21052632	1.2105263	0.05263158
2	C19 H23 O4 N1	330.16998	330.17062	0.11435635	330.17	14841	13634	11732	11877	2063	0	12623	27704	1849	16616	9867	13348	1398	2241	13860	19557	18871	5192	6862	21956	23807	13783	12951	21082	11329	20623	11103	8983	20409	19438	16959	20073	18554	18821	18162	23496	17038	10591	21098	18439	15894	6640	243	0	0	10704	13451	0	21642	23342	12037	13031	4621	0	2988	872	3372	16186	1596	3241	14824	8717	2003	3386	2703	3118	6090	23759	15649	20711	24960	17639	19940	24323	24664	19267	0	10619	12469	10716	11151	3830	5357	14534	1386	2549	10734	5065	6035	24350	9609	4714	27903	8753	18781	453	14869	15394	2092	814	1057	17676	11161	21011	6822	16681	1961	0	12249	2260	Phytochemical	0.21052632	1.2105263	0.05263158
22	C16 H27 O4 N1 S1	330.17337	330.17383	0.2656801	330.17343	2825	4122	3202	4174	0	2171	3070	2336	0	0	1799	2426	0	0	3970	4415	7823	0	0	0	0	11389	6482	18310	24340	0	3542	0	4799	1660	0	0	2446	4685	0	3556	5380	2874	7081	0	0	1414	0	0	325	3366	2017	0	3324	0	4046	3455	5552	582	0	0	2727	6624	1334	1809	5113	0	0	0	0	4988	4869	12339	0	0	0	2289	1758	1573	8306	2917	391	1827	19812	0	19802	3807	2014	0	0	3190	24114	4748	3131	11270	7718	0	38366	1370	4423	0	4829	3403	1704	0	2270	2666	1400	2057	0	50309	3343	0	32961	0	Organosulfur	0.25	1.6875	0.0625
2	C16 H27 O6 N1	330.1911	330.19177	0.16502124	330.19116	25636	21936	22800	24020	8591	15597	18686	30476	11909	15165	7465	17615	16966	9103	19360	42622	18336	29818	16940	20455	20685	27436	14362	17783	32120	5913	13287	8923	82800	24782	35035	25242	69588	21385	21889	24983	31760	16167	23164	14238	11074	13812	0	0	0	12718	11373	0	38175	19564	24039	23512	12288	0	34622	7388	6634	36060	10965	7703	44764	8423	14065	14312	6516	15985	18148	27642	7150	11966	11157	22005	24026	25257	11421	28828	0	19722	15388	6951	8605	5607	9952	6715	9585	8802	27240	11047	14686	41467	86260	93348	74872	11372	17291	0	23012	22513	6663	9200	11359	24912	15697	53210	8137	24840	7817	0	15560	20123	Lipid	0.375	1.6875	0.0625
10	C16 H27 O6 N1	330.1911	330.19162	0.1708644	330.19116	41749	35325	37847	37939	32158	28905	39471	60718	25586	24591	14984	32636	46879	38312	33235	56551	60619	48561	46876	50318	40613	42594	41689	73206	36532	30831	32984	16298	65907	53540	41414	47757	66544	47055	33173	57333	54723	30015	58735	30250	26203	37864	1047	0	0	46352	38417	0	49801	51353	39890	39674	29825	879	46003	38405	16722	59197	26700	29824	51528	11902	36982	33477	84431	35998	27479	54353	24574	30359	22231	37083	46594	58781	45918	48830	0	31098	42065	26549	32942	25437	38694	20789	45859	30574	45401	24126	36012	55886	30362	49889	70728	22592	34500	441	41376	51339	18772	39207	47050	64641	30888	61249	0	41135	32661	0	33768	42540	Lipid	0.375	1.6875	0.0625
12	C15 H27 O5 N3	330.20236	330.20245	0.23967777	330.20242	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1200	1540	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1330	1686	0	0	0	0	0	2750	0	0	1618	0	0	0	0	0	0	2032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	994	0	0	1159	0	0	1099	0	0	0	0	0	1828	1534	0	28270	8044	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8	0.2
2	C15 H27 O5 N3	330.20236	330.20303	0.2317208	330.20242	15870	15024	15609	14723	5738	30833	7152	11873	6696	3360	6473	5958	8129	4765	8548	9744	5656	9989	9041	2831	2650	9390	6679	10535	7744	0	3379	47843	15939	7353	9398	9115	13358	8217	4131	10933	10603	6395	8953	1506	2111	6504	0	0	0	3620	1578	0	11634	7517	16547	13232	5924	0	8339	2095	2631	15089	1429	1097	10076	873	7293	5812	3022	10526	6812	12078	0	1587	717	9787	9993	9209	4883	7079	0	5824	7418	797550	5112	0	1795	1189	3547	4945	11913	5996	6227	20900	581249	272015	25524	62070	3420	0	17754	15236	5779	2773	3340	10950	6333	5040	1505	11567	5104	0	7534	13185	Peptide	0.33333334	1.8	0.2
6	C15 H27 O5 N3	330.20236	330.20294	0.28909537	330.20245	6139	7361	5923	7424	2611	10995	3346	5586	1255	3124	3821	2843	3319	1672	3668	6444	3479	4626	2659	1089	738	4951	4472	6674	5094	0	2864	26774	6503	3179	5207	6263	8473	4705	3070	4890	7369	3210	6459	0	0	2047	0	0	0	2477	0	0	6434	2661	9352	7915	1749	0	3146	1117	1167	9010	1020	878	7201	0	3194	1024	1093	2809	2343	5357	0	0	0	4751	4415	3265	3342	4310	0	2770	3838	56328	2028	569	1387	0	535	1959	4721	2788	3058	6082	232517	99198	11646	15709	3793	0	7084	7657	896	840	1177	5560	2922	2392	0	4829	1140	0	4281	4740	Peptide	0.33333334	1.8	0.2
8	C15 H27 O5 N3	330.20236	330.2029	0.3603556	330.20245	5329	7803	5428	5577	3058	5350	2758	4533	2977	3430	4184	2811	2927	2333	6459	8391	5494	12799	27714	1424	0	3130	3370	4951	7361	0	7588	12913	5655	5958	5696	9863	9355	6163	1922	8529	8996	5306	6581	0	0	7691	0	0	0	0	0	0	7751	3257	3865	5461	5010	0	2249	1254	3365	8148	0	781	5508	0	2279	847	4076	8284	6828	8114	0	0	0	3168	4498	4554	5792	6983	0	3962	4516	10808	2071	3274	943	0	2609	7889	7533	12283	17911	2971	104456	43016	10461	2388	1404	0	4532	5319	0	1207	0	6791	3426	0	0	5439	0	0	4000	4330	Peptide	0.33333334	1.8	0.2
14	C20 H27 O3 N1	330.20636	330.2069	0.25810355	330.20645	67994	60170	56407	51636	4963	5567	46774	164576	1378	21604	37514	222427	0	1859	136187	547732	83201	0	3910	39775	34774	0	95699	146756	376750	37892	121145	20855	46410	71775	179969	25473	137135	26634	22978	28049	138373	142345	59831	10341	8250	21471	0	0	0	13031	9329	0	179551	108946	59443	54214	87903	0	1844	973	62300	278231	0	0	424030	3616	2215	2155	71996	18772	19145	97916	16311	47722	40164	105310	21413	18242	52288	31183	0	259512	88948	50939	104973	2756	1281	15567	2706	8070	86918	7551	21858	33642	76126	2147	25331	13081	22883	0	57812	63843	4753	0	1209	160809	241967	3802	22192	97002	0	0	166484	0	Lipid	0.15	1.35	0.05
18	C20 H27 O3 N1	330.20636	330.20685	0.27601406	330.20645	10402	10183	5603	9210	2695	2140	7556	5350	0	16299	16678	5362	1995	2967	2455	10432	14427	4478	2828	17764	22567	7887	3770	9637	4657	23886	9004	10463	5436	5687	5370	7024	6922	6180	11917	6379	6528	1961	21036	13218	24614	3472	0	0	0	9576	12108	0	7216	6657	6424	6645	3531	0	2322	0	3453	10588	1612	14992	7992	4448	1914	0	2942	2487	4385	21039	24780	17335	41857	4012	4812	6058	9323	7066	0	3106	7554	16914	5335	4495	5371	10952	1933	1691	8376	5618	5165	28690	18497	11803	17434	10387	13469	0	8446	5068	1370	1573	1834	13357	4377	5187	3546	6180	1639	0	8333	0	Lipid	0.15	1.35	0.05
12	C20 H27 O3 N1	330.20636	330.2069	0.23779935	330.20645	10576	9150	16024	10838	2867	2690	6000	12077	1469	31238	26715	10246	0	2626	6288	23040	10420	2346	5135	43048	38302	0	4248	14918	10968	46304	11050	14006	9098	8265	11507	15501	15850	9772	46354	10282	20614	7642	9423	17969	6971	5004	0	0	0	10267	9239	0	13128	8607	12967	12640	4400	0	0	0	2041	16627	0	0	0	4237	1483	0	2740	2869	5648	16582	19186	57932	55655	13419	8164	9853	13264	9537	0	11840	3704	0	4483	831	0	14656	0	1026	4821	5042	3865	23072	22061	0	23217	7095	23720	0	11717	8206	0	0	0	16439	10145	0	0	13942	0	0	5760	2058	Lipid	0.15	1.35	0.05
16	C20 H27 O3 N1	330.20636	330.20688	0.31254384	330.20648	5154	10361	6249	5996	0	0	3871	3893	1205	9655	8179	1999	0	1637	3045	6324	8019	0	1810	21299	11946	9101	1750	4557	4222	29435	4327	7507	4660	3746	4204	7520	4063	3643	7183	3683	5969	2305	7812	8896	11426	1683	0	0	0	2851	9563	0	6310	4544	5208	7922	1514	0	0	1052	1065	6268	0	5769	0	2090	1789	1129	1060	0	2029	9023	13338	22171	27878	2853	3594	6806	11034	4043	0	1856	1607	13209	2861	0	3514	9322	0	0	6414	2632	1886	0	12193	7812	0	14205	20346	0	7248	4994	0	0	1448	6497	2461	2653	3417	0	0	0	5073	0	Lipid	0.15	1.35	0.05
4	C20 H27 O3 N1	330.20636	330.20703	0.23879941	330.20645	9609	10571	10863	10424	553	2250	12410	31887	318	9712	4677	15692	375	0	17086	28838	23011	1375	2444	16832	14229	4119	15432	24279	11685	4819	18346	4918	20526	16603	25328	17675	19388	16271	12648	21136	20536	14218	17162	8896	2516	4030	0	0	0	7999	6666	0	23259	32528	12930	10469	2311	0	425	0	1915	20083	0	0	26509	4147	0	679	1503	1150	4751	25511	2493	3646	6000	17128	17189	23778	22589	17971	0	15969	11171	5279	16361	470	882	7019	0	2032	7576	4394	5351	19787	10304	951	19924	5869	14477	0	9794	12860	0	0	0	20901	10168	11272	4760	18659	0	0	10291	0	Lipid	0.15	1.35	0.05
6	C20 H27 O3 N1	330.20636	330.20697	0.20432997	330.20645	26201	27726	23368	25108	1550	9205	20465	58607	633	39688	18722	29193	0	1830	38225	64414	37006	5457	7723	45382	48236	14201	22664	58760	27005	20697	24275	20250	43408	47260	53117	47568	43881	43629	37156	45722	44374	32132	39071	24439	5068	8844	0	0	0	19039	21115	0	55413	47090	28398	25543	6393	0	2064	0	5547	54694	0	0	60145	10685	1526	2756	4889	2834	11889	59507	15781	26247	25738	40207	40019	50141	40836	36743	0	30016	16697	12552	20861	1046	1181	23323	658	3145	15915	12521	13164	53948	27709	1138	58881	16735	44901	0	28111	23793	1241	0	452	45329	23556	20873	0	49380	0	0	21096	1305	Lipid	0.15	1.35	0.05
10	C20 H27 O3 N1	330.20636	330.2069	0.16242436	330.20642	30143	20845	24462	24619	3944	7140	12882	40092	2804	44273	36249	21760	2117	3496	12243	49780	18579	3778	7762	64567	73732	18030	12366	54509	16214	74386	19628	35569	25121	27320	28591	32617	30763	24399	55805	25479	41346	12306	12299	29301	4503	10057	0	0	0	17108	15085	0	38138	30488	24199	24914	7491	0	1769	0	4356	53315	0	0	47704	8357	1752	2219	4297	3519	8430	29480	44495	72103	70049	27159	24571	22969	28074	23626	0	16374	8660	13182	13129	0	0	23792	0	2284	8687	9465	9475	74110	42200	0	57251	15471	44963	0	20137	23285	2674	0	0	31784	18387	10817	39632	33637	0	0	9537	1589	Lipid	0.15	1.35	0.05
26	C17 H31 O3 N1 S1	330.20975	330.21014	0.40020335	330.20987	7229	4409	7236	6440	0	0	1632	99185	0	0	0	0	0	0	0	0	0	0	0	0	0	51357	16289	42780	18256	0	0	0	57866	35140	103300	25306	18387	21752	0	19083	23358	2985	0	0	0	0	0	0	0	7773	0	0	31082	6975	4228	0	0	0	0	0	0	59478	0	0	9365	0	0	0	0	0	6829	0	0	0	0	50201	53568	57643	0	22398	0	21737	4470	0	13247	0	0	0	0	0	0	0	2253	4924	2360	4179	170598	2219	0	0	9186	0	0	0	0	0	5614	0	0	21587	0	0	0	0	Organosulfur	0.1764706	1.8235294	0.05882353
24	C17 H31 O3 N1 S1	330.20975	330.21014	0.29479486	330.20984	6079	3841	3152	3935	0	1899	0	18115	0	0	0	0	0	0	0	1929	0	0	0	0	0	0	20189	195539	1742	0	0	0	26372	19130	17136	13260	9123	6759	0	11292	15401	0	0	0	0	0	0	0	0	42722	0	0	11159	4306	4856	5380	0	0	0	0	0	12672	0	0	5668	0	0	0	0	0	0	0	0	0	0	14575	15520	18494	0	14110	0	7833	1396	0	6670	0	0	0	0	0	0	0	1720	0	0	1895	52766	0	0	0	3419	3779	0	0	0	3885	823	0	0	34463	0	0	0	0	Organosulfur	0.1764706	1.8235294	0.05882353
18	C17 H31 O5 N1	330.2275	330.22794	0.2732691	330.2276	6366	6139	8288	5742	2607	3584	30494	12244	2621	0	0	6777	2294	5943	6671	20737	15785	3295	2462	0	0	1829	10132	10984	6735	3927	27217	3341	6618	10193	7100	13682	14539	14011	0	12948	17265	8426	18972	0	0	6839	902	0	0	2857	1790	0	22457	10487	9683	5962	3410	958	0	2627	2049	19247	0	2417	18516	0	0	0	4574	4940	6678	12752	0	0	0	9507	8811	14300	16420	11681	0	3939	6047	7806	9686	1540	20816	22294	2773	4670	8739	6038	3725	10303	16622	4173	7804	2700	2405	0	10019	7900	0	1681	6128	13267	6085	4637	2794	15566	3320	0	9879	1760	Lipid	0.29411766	1.8235294	0.05882353
24	C17 H31 O5 N1	330.2275	330.22794	0.25322902	330.22757	8216	9670	9901	10089	12558	11222	20241	6107	6473	9430	4049	3016	9578	18548	4393	11513	9504	14357	9425	3543	3077	2373	6851	9461	7416	0	20446	21093	7484	9750	4089	13150	16028	12159	10031	11793	14590	3402	8676	3214	2838	10066	5847	0	0	5401	6268	0	9063	12957	12472	8799	11606	0	18564	4226	5907	10431	4738	15535	11580	1713	30505	6147	11626	23758	19606	12275	1262	1626	1729	7346	9173	7418	6100	7411	0	6075	4551	37453	3586	7338	12028	3324	4756	7886	3745	8497	10866	5947	66801	48138	12515	6513	17414	0	10765	14511	10893	2906	5757	11182	5619	5666	18015	15414	7518	0	5487	10906	Lipid	0.29411766	1.8235294	0.05882353
26	C17 H31 O5 N1	330.2275	330.22766	0.31347096	330.2276	0	0	2068	0	2875	0	0	0	0	0	0	0	0	1856	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2763	0	3971	0	1566	0	5644	0	0	0	0	0	0	0	0	0	0	0	2082	2427	0	0	0	0	0	1632	0	0	0	0	23327	0	0	3781	2280	5466	0	0	0	0	0	0	0	0	0	0	2206	0	0	0	153520	0	0	0	0	0	0	2459	8871	2721	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.29411766	1.8235294	0.05882353
10	C17 H31 O5 N1	330.2275	330.22803	0.33654788	330.2276	9627	11572	9410	6948	0	2321	7079	27116	1294	5251	1821	7992	0	1588	13607	12600	2651	1641	2284	3733	2232	3152	13830	17949	14273	0	5194	0	15976	13608	21999	18693	16560	12738	6199	14013	12651	8945	4134	0	0	2819	0	0	0	5769	0	0	19448	18883	5066	6919	1565	0	0	2555	1110	19958	0	0	11285	0	0	1014	1239	0	2956	5591	0	0	0	22532	11490	11036	5370	10760	0	11135	5206	0	4673	960	0	2103	980	2020	11372	3538	3291	7885	14894	5061	9425	0	1901	0	5838	5608	0	1256	1663	14478	10025	8129	0	11375	2123	0	7161	0	Lipid	0.29411766	1.8235294	0.05882353
8	C16 H31 O4 N3	330.23874	330.23914	0.29624993	330.23883	6933	6159	4223	5118	0	0	0	0	0	1528	2696	0	0	0	1033	2079	0	0	0	0	0	1743	0	0	1084	0	0	7080	1492	0	866	1239	0	1794	0	0	1547	0	0	0	0	0	0	0	0	0	0	0	0	0	3508	4086	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	910	0	0	0	0	0	0	0	14270	0	0	0	0	0	0	0	0	772	1335	258338	207648	1255	8774	1304	0	2758	3652	0	0	0	0	0	0	0	0	0	0	1328	1953	Peptide	0.25	1.9375	0.1875
10	C16 H31 O4 N3	330.23874	330.2391	0.26739478	330.23883	16232	14391	19220	16494	807	23057	0	0	0	0	4038	0	0	2309	0	0	0	0	0	0	0	1846	0	1763	1283	0	0	318223	1036	0	1076	1442	3425	1519	0	0	1863	0	0	0	0	4477	0	0	0	0	0	0	0	0	18085	20565	787	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	251975	0	0	0	0	0	711	0	1169	0	0	1765830	1057854	0	36688	7789	0	20063	17388	0	0	0	0	0	0	0	0	0	0	1818	0	Peptide	0.25	1.9375	0.1875
12	C16 H31 O4 N3	330.23874	330.23895	0.2675362	330.23883	3755	1745	2439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2346	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1567	0	0	0	152483	61889	0	3194	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.9375	0.1875
6	C16 H31 O4 N3	330.23874	330.2393	0.1596727	330.2388	25021	30277	26247	25657	2739	29964	574	1995	1152	0	8074	898	3659	1445	1332	12325	1571	4131	4153	0	0	2429	1143	2369	1647	0	2857	389825	2483	1319	2268	2794	5376	1007	0	2348	3784	1410	4030	0	0	6125	0	0	0	0	0	0	4033	2094	26091	25720	2558	0	1716	967	0	4727	0	0	3607	0	2248	812	1257	3271	1034	2877	0	0	0	1288	2629	0	3716	678	0	1562	1527	1840420	735	0	0	0	1400	2509	2240	2005	2439	3355	1545602	838635	3632	167619	16263	0	28620	28411	2468	2225	2452	3244	1275	0	0	4053	1634	0	1526	2743	Peptide	0.25	1.9375	0.1875
12	C21 H31 O2 N1	330.24277	330.2433	0.31995144	330.24286	5283	3633	2925	4980	0	0	3274	9766	0	1776	0	6203	0	0	5347	69240	1996	0	0	2287	2900	0	1905	13724	9583	1694	7416	0	7055	14132	8076	19833	6442	13748	1639	20268	8166	2778	0	1315	0	0	0	0	0	0	0	0	16387	8056	0	2291	0	0	0	0	0	9247	0	0	0	0	0	0	0	0	1528	6556	0	0	0	12836	16964	20853	16574	23511	0	6370	0	0	1128	0	0	1095	0	0	2247	0	0	22129	0	0	9346	0	3091	0	2746	4702	0	0	0	11647	3749	0	0	4727	0	0	0	0	Lipid	0.0952381	1.4761904	0.04761905
10	C21 H31 O2 N1	330.24277	330.24326	0.20946875	330.24283	3277	3515	3084	2406	0	1348	1208	13278	0	1646	1629	4072	0	0	4533	11673	2058	0	0	2184	1484	0	3406	6086	10013	0	1673	0	15870	6227	5956	8296	7516	7557	1948	8283	4444	2845	0	1312	0	1098	0	0	0	0	0	0	7921	11937	2144	3542	0	0	0	0	0	8991	0	0	10804	0	0	0	0	0	1370	5294	0	0	0	7754	9728	6975	5597	6681	0	3905	2577	0	0	0	0	2127	0	0	6526	2223	1100	31002	14892	0	23390	0	4826	0	0	2408	0	0	0	6670	2566	0	0	8770	0	0	1854	0	Lipid	0.0952381	1.4761904	0.04761905
16	C21 H31 O2 N1	330.24277	330.2432	0.32575476	330.24286	0	1533	3891	3863	0	0	3231	40692	0	0	1278	28663	0	0	14445	13387	3658	0	0	0	0	0	2943	1944	2093	4577	10533	0	8423	27798	42670	11560	9937	9454	0	19339	5680	18039	0	0	0	0	0	0	0	0	0	0	18056	69679	2969	0	0	0	0	0	0	4799	0	0	8123	0	0	0	866	0	0	21866	0	1593	0	25513	9430	14276	17040	17758	0	21078	0	0	4100	0	0	0	0	0	0	1591	0	0	0	0	0	0	0	0	4700	2552	0	0	0	15266	17884	0	0	0	0	0	0	0	Lipid	0.0952381	1.4761904	0.04761905
14	C21 H31 O2 N1	330.24277	330.24323	0.30833682	330.24286	9518	7455	7440	7405	0	0	2434	17949	0	0	3330	9423	0	0	6918	33180	0	0	0	5956	4790	0	5690	39267	7189	2320	6917	0	11908	17536	15538	22563	16151	20800	0	17251	14889	7222	0	1349	0	2394	0	0	0	2444	0	0	18949	19978	5473	4516	0	0	0	0	0	53744	0	0	89717	0	0	0	1675	0	0	10780	0	2954	3405	28231	20132	25102	11173	19160	0	12714	0	0	3175	0	0	3783	0	0	1332	3175	0	9987	5737	0	19574	0	2755	0	5982	5442	0	0	0	17007	7573	0	0	35794	0	0	2351	0	Lipid	0.0952381	1.4761904	0.04761905
24	C18 H35 O4 N1	330.2639	330.2643	0.27632138	330.26398	10249	8048	11969	10114	4193	23885	85870	5118	0	8285	5022	2743	1948	77604	2973	7647	3626	3266	0	1796	4420	5311	4326	1096	1667	3334	80849	19668	1388	13341	3990	6459	17916	4000	4944	9263	1352	2817	4159	1869	6751	20550	9822	0	0	10039	15967	0	26010	57456	8279	7718	0	10722	0	5462	5316	2726	0	45047	11943	978	29491	0	41058	13323	10059	7872	1200	2816	3301	3806	3032	17563	2660	15963	0	1944	105627	42613	10390	9445	36006	33615	0	5167	19077	8441	2393	11033	27442	21433	44234	4581	28305	0	10377	12108	8390	1160	3221	4069	2328	3459	3383	2459	3725	0	4369	38835	Lipid	0.22222222	1.9444444	0.055555556
22	C18 H35 O4 N1	330.2639	330.26434	0.29006875	330.26398	45494	50028	38903	46909	10939	273717	22487	20247	0	176392	0	0	25095	71252	0	68018	14534	46594	6410	6845	29914	3953	1186	5062	0	3070	24948	3272	14141	131010	23694	98686	280190	21606	54398	57462	22414	0	3192	44933	23425	182558	9075	0	300	107393	118152	0	468186	676604	45220	47929	1656	126128	0	1362	1386	28425	0	565006	29569	0	114510	0	11737	214170	5934	53207	0	0	7465	19833	2078	6941	28205	251232	1042	0	0	6355	0	3510	10487	12344	0	2915	0	138368	5259	15809	175901	4581	144362	1371	395249	3608	34824	52305	2049	0	1779	7448	0	1587	0	0	1303	0	0	541327	Lipid	0.22222222	1.9444444	0.055555556
20	C18 H35 O4 N1	330.2639	330.26425	0.270002	330.26398	5188	5633	6994	7483	1574	35305	2532	0	0	35633	0	0	3994	10270	0	11396	1979	4295	0	0	4446	1502	0	0	0	0	3608	2015	1520	10506	3332	13733	30963	2987	10057	3857	2143	0	0	3491	0	18912	2838	0	0	16400	19826	0	65450	80205	4826	3830	0	17603	0	0	1550	2327	0	72195	3942	0	18789	0	3000	40684	0	8477	0	0	0	2954	1639	0	6745	34938	0	0	0	0	0	0	1659	0	0	1261	0	19022	2751	10175	68039	0	24940	0	86199	943	4815	6789	0	0	1860	0	0	0	0	1533	1417	0	0	96350	Lipid	0.22222222	1.9444444	0.055555556
26	C22 H35 O1 N1	330.27914	330.27936	0.32554302	330.27924	2328	2073	0	2384	0	0	2603	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1701	0	0	0	0	0	0	0	0	16377	0	4326	0	0	0	0	0	0	0	0	0	0	0	0	3629	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15639	0	0	0	0	0	0	0	237900	0	0	413860	0	0	0	0	0	0	2285	0	0	0	0	0	0	0	0	0	0	0	4493	0	Lipid	0.045454547	1.5909091	0.045454547
18	C19 H39 O3 N1	330.30026	330.3002	0.087836765	330.3003	0	0	0	0	0	0	6328	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3158	5766	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1076	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	102546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.15789473	2.0526316	0.05263158
24	C16 H10 O8	331.04483	331.0453	0.3166408	331.04495	1909	2417	3235	4442	10465	7221	1418	0	10852	1729	0	1704	19081	8988	2825	1458	0	21407	14018	0	1765	4488	6998	0	2882	0	1122	0	0	0	0	1554	2480	0	0	0	1108	4413	1402	0	0	1482	0	0	0	0	0	0	0	0	4131	3263	8176	0	17054	8334	6036	1292	0	1576	3406	0	24532	16121	4832	15309	3103	1888	0	0	0	1080	1158	0	0	0	0	1129	9974	1801	13027	743	0	0	20874	9735	9445	5040	5292	17695	1534	0	3982	4256	3993	0	3136	2745	7836	12365	12831	2510	1053	0	0	1101	11526	0	2397	22207	Phytochemical	0.5	0.625	0.0
22	C16 H10 O8	331.04483	331.04535	0.32328218	331.04495	4888	6161	2770	3675	14960	6970	1824	1658	16659	0	1689	2119	22065	9671	3389	2074	3326	21992	15291	0	0	3259	7388	1592	1553	0	2766	0	0	0	1254	0	4419	1583	2788	0	2302	2801	3373	0	0	3115	0	0	1064	1373	2670	0	1582	0	3815	5295	10435	572	20175	16469	10103	2798	0	0	4028	0	28743	17362	4006	14813	5024	0	0	0	0	0	0	1330	1016	0	971	2893	12007	2384	9877	0	0	0	32137	13032	12389	6395	7320	2403	0	0	3448	7499	5104	0	4333	3673	11641	23881	21856	3873	3222	0	1671	3888	17550	0	4553	33469	Phytochemical	0.5	0.625	0.0
8	C13 H14 O10	331.06598	331.06662	0.37459517	331.0661	3311	4417	4683	5620	26448	8033	0	0	25320	0	3396	2116	57921	6158	989	1121	2986	21289	25025	1254	4101	1985	4485	0	0	0	1211	0	1304	911	904	0	2782	0	2442	957	2449	1425	0	0	0	8108	0	0	0	0	0	0	1304	0	5866	6744	12106	0	23668	34736	8333	0	0	0	0	0	55686	34840	6165	31338	6842	2867	0	0	0	758	2307	0	1152	0	0	1696	2975	0	1461	0	0	0	25233	5751	1529	8314	7143	1149	0	0	2655	4441	1648	0	6155	5573	18423	44793	42175	3352	1422	0	0	1782	20503	0	0	56675	Phytochemical	0.7692308	1.0769231	0.0
6	C13 H14 O10	331.06598	331.06662	0.36814728	331.0661	2104	2367	2045	1242	12720	2826	740	0	10361	0	0	726	27642	2546	0	0	1038	7907	11696	0	0	942	1372	0	0	0	0	0	0	0	0	0	0	0	1092	0	813	485	0	0	0	3703	0	0	0	0	0	0	0	0	3049	2456	6523	0	8269	15149	3862	0	0	0	0	0	24848	12879	3851	14282	2738	0	0	0	0	0	0	0	774	0	0	0	1229	0	693	0	0	0	16314	3008	620	3485	3745	0	0	1083	0	1609	0	0	1680	2123	7205	25325	25426	1681	839	0	0	799	10692	0	0	27820	Phytochemical	0.7692308	1.0769231	0.0
10	C13 H14 O10	331.06598	331.06662	0.37064424	331.0661	3179	6610	5365	5697	30508	16069	0	0	33781	2192	2130	2686	68354	9616	1494	0	1315	32023	31104	1938	3182	2735	4022	0	0	0	1574	0	0	0	0	0	4697	0	2303	0	3537	1301	0	0	2491	8947	0	0	0	0	0	0	0	0	7217	6724	14763	0	37471	36587	9772	1597	0	0	0	0	64204	41422	8472	37800	8982	2704	0	0	0	1452	0	0	1678	0	0	867	2544	0	2081	0	0	0	31286	6031	5191	10146	9734	0	0	2169	2213	5124	0	0	7126	7631	21484	38831	33553	4066	2445	0	0	1874	23128	0	0	69069	Phytochemical	0.7692308	1.0769231	0.0
18	C14 H10 O6 N4	331.06732	331.06763	-0.37215948	331.0672	5142	6694	6156	8232	8872	0	2148	0	5945	15966	14766	0	9799	1938	0	3316	1361	7428	3830	9066	11686	18406	0	3864	0	48838	0	17684	0	0	0	0	0	0	14002	0	0	2860	4837	14306	21440	3950	744	0	0	6199	7903	0	0	0	7460	4854	0	0	0	7250	0	0	0	4190	0	13911	7209	1352	4062	0	2944	0	45156	28810	105588	0	0	0	0	0	0	0	0	34650	0	6894	0	12468	2440	0	3210	5464	7226	0	18029	14994	0	40720	36632	0	5659	4036	0	5830	2968	0	0	0	8585	0	3536	0	0	9873	Unclassified	0.42857143	0.71428573	0.2857143
16	C14 H18 O7 S1	331.0846	331.08508	0.2527128	331.0847	8232	7108	8726	7671	15588	10702	2673	1827	12444	28272	13662	1540	22285	5591	2991	6250	5995	19528	14759	17397	12440	23121	2534	3842	3793	5637	3576	8148	2413	1804	2356	3815	3551	4232	25705	0	5543	1859	4157	25246	9184	4899	0	0	0	5680	5251	0	2981	2140	7446	8889	9900	0	16775	11966	4694	4902	10718	4995	0	12636	5047	8749	4089	10898	6038	5300	5558	7763	5691	0	0	1565	2089	1843	0	1727	3048	11012	1074	5563	6912	11208	10201	6867	6224	5912	9766	0	26736	42532	0	15797	29029	0	7100	5838	8495	7713	8660	9947	2092	10386	8115	0	8981	0	3873	16033	Organosulfur	0.5	1.2857143	0.0
18	C14 H18 O7 S1	331.0846	331.08508	0.29749602	331.0847	5186	4154	5978	3418	8625	4535	2207	3715	8629	7523	3108	1059	14136	3213	1500	1511	2313	14271	6560	7192	4338	8032	1880	2448	2838	1992	2317	5369	0	0	2958	4273	2262	0	8480	2372	3497	2623	1524	10361	3852	4140	572	0	0	3258	0	0	3623	0	5336	4679	7385	0	7294	1930	1994	3619	5722	2061	1815	7922	2740	4277	2317	2917	3026	2278	4560	8069	0	1431	0	0	1747	0	0	0	3529	4827	0	2104	3240	4450	5103	2258	3853	3448	5395	5280	13128	24188	3628	6152	9248	0	2948	5333	4125	2240	1748	2797	0	6365	2655	1968	4285	0	2809	7633	Organosulfur	0.5	1.2857143	0.0
14	C14 H18 O7 S1	331.0846	331.0851	0.27469027	331.0847	11320	11300	7435	9590	11993	11224	2340	3035	13555	19021	14949	2139	25178	4820	4267	5476	4911	17990	16994	13024	12076	24351	0	0	4621	5390	4963	9517	4834	1505	4190	0	6823	3627	25120	1896	3808	3018	3541	18424	9711	7003	0	0	0	9730	6429	0	3750	1783	6396	9126	11762	0	13019	11519	11820	6144	8472	5745	0	18542	8500	9904	4070	8961	8967	4159	0	8208	10190	2526	1625	1581	2756	1805	0	3031	2943	0	3523	3864	7212	10170	12045	6002	5851	7769	6258	5889	22888	34035	4462	16110	23510	0	9427	6827	7052	11598	12782	4014	0	10912	0	6784	10710	0	6130	16234	Organosulfur	0.5	1.2857143	0.0
24	C16 H14 O6 N2	331.09247	331.09296	0.36588827	331.0926	2811	4756	4824	3967	3201	5755	9474	4766	3689	1656	1517	4289	0	4855	3370	7855	19235	5016	3426	0	0	4280	5890	8591	6366	0	10787	0	5865	4804	10948	4577	9601	5869	0	2353	3756	4955	19202	2369	3786	3306	0	0	0	3052	3359	0	9907	2522	3960	4084	1273	0	1599	1526	2301	8197	0	1997	6022	2160	2608	2744	2613	2445	4750	25454	1684	0	1583	2847	0	1339	7744	1648	0	5395	8080	2526	8264	1451	943	0	1400	9020	10054	7665	5964	20906	0	0	13243	5160	2888	0	3398	3938	0	0	1948	10916	5353	1703	0	13877	0	0	12616	4171	Phytochemical	0.375	0.875	0.125
26	C21 H14 O4	331.0965	331.09662	-0.24572542	331.0964	3370	3119	3338	3487	0	0	1568	0	0	3632	106923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2566	161420	0	0	0	0	0	0	3245	0	0	3357	4868	0	0	0	0	0	0	0	0	0	0	0	3606	2889	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4435	0	0	0	0	0	0	0	0	0	0	2070	30660	7308	498606	0	0	0	0	0	0	0	2308	0	0	0	13476	0	0	3595	5393	0	0	0	0	0	0	192902	0	0	0	6283	0	Phytochemical	0.1904762	0.6666667	0.0
20	C15 H22 O6 S1	331.12097	331.12143	0.1910027	331.12106	6185	5311	7748	9514	7788	10306	3990	6054	5434	4589	2026	2336	6972	4846	4729	6930	5195	9018	10060	5787	4836	11382	2575	5500	9773	2378	4506	4204	6308	4412	2363	4502	5119	3485	4445	6212	5803	3012	6637	9379	5326	6982	0	0	0	5809	1894	0	5668	3078	9638	9985	13196	0	9325	6915	5964	11769	9527	6861	7271	3399	4067	6359	4753	7377	7566	5872	4120	3868	3770	2787	3718	2560	4360	3094	0	2997	4871	4992	2982	3015	5271	0	5231	5126	3812	5627	7002	14458	29565	21414	11741	5605	7984	0	6537	7300	5646	6983	8421	5007	4252	10557	6308	6411	4867	0	6804	9896	Organosulfur	0.4	1.4666667	0.0
6	C12 H18 O7 N4	331.12482	331.12585	0.497985	331.125	1293	1017	0	1187	0	746	1182	0	608	1579	0	671	0	0	626	1255	1030	689	1976	0	0	0	1934	2459	0	0	983	0	0	762	0	0	1650	832	0	987	0	613	0	0	1058	0	0	0	0	0	0	0	0	0	1029	0	454	0	1000	0	779	0	2159	1252	0	0	0	0	0	1408	1387	1410	0	0	0	0	0	819	37391	611	0	0	576	0	0	834	943	0	0	0	0	0	600	1350	0	1528	0	0	1453	0	1821	0	510	820	689	0	0	0	0	1340	0	0	952	0	Peptide	0.5833333	1.5	0.33333334
12	C8 H19 O3 N8 S1 Na1	331.12714	331.12753	-0.006423479	331.12714	115407	118371	114878	117660	69732	55244	95238	109080	72988	168106	126504	66450	63493	46241	80045	119925	115913	83591	96820	177880	209808	174211	93536	134228	91477	180122	86438	110101	88549	75093	84669	84904	124589	84317	192800	80545	102759	89052	146615	194477	247903	68849	1843	394	354	125850	136709	516	103873	89924	122623	105136	69968	584	73126	51473	53649	110714	64376	109968	103464	118427	79578	59155	41227	75737	69916	139069	170141	259959	314508	77180	72919	64937	76740	78057	0	75745	131091	113668	108929	93164	79076	115283	64036	50436	127782	76798	68847	236312	124171	128291	207721	139954	142288	890	109315	110946	51480	50753	51018	115872	71997	98674	61617	130712	56302	332	104762	87831	Organosulfur	0.375	2.375	1.0
14	C8 H19 O3 N8 S1 Na1	331.12714	331.12793	0.15488178	331.12717	128634	120737	108931	116734	92219	77958	108116	106006	72956	138051	112937	73211	85543	51007	86375	127426	107225	96781	94582	142037	174614	156772	89359	155562	104190	142273	97040	103273	83028	79836	80665	89252	135884	78080	153118	77079	139740	91071	116723	146509	179179	68896	0	454	393	103279	124917	628	102555	78046	110898	112647	89367	552	72362	72026	62609	125707	73725	82635	121086	107112	89632	61357	54830	93028	74224	131026	140004	181982	219884	75015	73676	57762	84735	78261	0	71680	130399	127397	108922	77858	75053	95853	70398	59495	137968	102374	87908	200191	130221	107209	212439	106912	144034	856	111351	105181	58181	94059	88701	133598	69981	110066	36629	122357	60824	0	126779	87638	Organosulfur	0.375	2.375	1.0
26	C19 H22 O3 S1	331.13623	331.1367	0.39734218	331.13638	2183	3768	2065	3509	2538	0	0	0	0	5208	14048	0	0	0	0	0	0	0	0	9185	8808	8537	0	0	0	29727	0	12858	0	0	0	0	0	0	7091	0	0	0	0	11151	13267	0	0	0	0	0	7293	0	0	0	3684	2630	3234	0	0	0	0	0	4231	0	0	7965	0	0	0	1559	0	0	16671	13052	19206	0	0	0	0	0	0	0	0	9140	0	0	2547	11243	0	0	0	0	0	0	6580	6446	0	10114	8342	0	1943	0	2504	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15789473	1.1578947	0.0
0	C14 H22 O7 N2	331.14996	331.15067	0.14903958	331.15002	8418	8977	10262	9929	10491	13842	2678	18568	11638	4230	0	4831	17544	4088	7186	3834	4341	22649	13902	3433	6581	11277	8455	11487	5057	0	0	980	16655	6680	14381	17166	26054	15768	7579	15263	21693	4766	7799	3947	2082	17217	0	0	0	4537	0	0	14356	9823	9891	8089	13648	0	12453	5520	3443	16729	5048	1867	3814	0	17775	12761	5468	19061	19399	7719	0	1633	0	14833	18654	10054	0	12039	0	8689	3763	1383	2527	952	1581	0	3729	3972	3466	11811	15518	7062	9897	11081	20796	1547	0	0	10116	10742	3990	4736	5758	10822	0	6449	0	18710	5804	0	2335	31409	Peptide	0.5	1.5714285	0.14285715
4	C13 H22 O6 N4	331.16122	331.1619	0.25917527	331.1613	34878	37332	33416	31654	10879	15963	21960	47611	10627	47911	26161	25306	13561	8265	27886	52285	46613	18920	23552	53477	67768	53983	29555	50516	33155	51769	25471	30350	38692	35578	33818	36208	38848	32729	61444	39919	44793	29271	50295	47479	50509	16325	0	0	0	39837	45843	0	44353	42054	36476	31381	13809	0	17455	6679	11087	37992	10473	23035	48178	32439	11880	13934	7543	16942	16093	50613	39070	59628	60219	36113	34730	39691	40686	31226	0	25568	33477	32406	30561	14218	19301	32399	10499	12154	28427	20790	18640	54258	63263	29462	93332	39394	68503	0	33061	42476	8929	8017	8371	41634	22946	60971	22858	44599	7966	0	30013	11389	Peptide	0.46153846	1.6923077	0.30769232
14	C18 H22 O4 N2	331.16522	331.16574	0.18661346	331.16528	63540	73185	54609	61262	20718	27773	59743	71503	14174	81725	65124	42351	15210	14963	52213	78015	72959	23226	40778	99908	105535	82127	48317	87468	64470	99882	54218	60060	62806	64932	66434	69795	77595	59650	79719	66084	78461	42302	71786	89529	112727	36153	0	0	0	63072	72447	0	76932	58528	60271	58054	32004	0	24391	12714	23164	78925	36098	59998	62264	50058	16387	15871	18045	30590	33762	81991	78817	117232	140672	61139	54991	58395	48426	64089	0	55922	55922	62391	49504	41069	52643	63007	15952	20257	51583	38878	39008	109918	89622	64888	143479	44793	84543	0	60495	55443	15187	14336	12729	79294	40621	82693	24946	92809	16164	0	61040	19055	Phytochemical	0.22222222	1.2222222	0.11111111
16	C18 H22 O4 N2	331.16522	331.1657	0.1688508	331.16528	63599	60570	65085	70434	23608	31172	55551	97120	19156	70338	65766	52656	10476	19682	60211	132516	91718	27879	36452	88849	81996	81773	54431	120036	101015	76626	53448	62079	80848	70889	81787	98826	94650	75020	73753	87869	89661	55289	97950	77116	91703	49798	396	0	0	59986	57875	0	98645	88973	76081	69562	30155	0	21685	13923	25803	106726	31130	51028	113525	48897	12745	23016	19030	28935	45687	110398	66028	98963	117603	86639	70930	62056	64502	70368	0	50673	62737	66067	47388	33884	40463	64579	14056	17013	72628	54379	51158	220899	82299	73561	252257	56672	74949	0	67777	63451	12838	14169	11929	98737	45808	53395	23612	133208	15756	0	82010	23009	Phytochemical	0.22222222	1.2222222	0.11111111
12	C18 H22 O4 N2	331.16522	331.16577	0.16885948	331.16528	59891	62984	66383	67962	26265	27402	44367	69458	23636	89289	57075	32969	17403	15743	44392	68005	62829	30338	38045	122983	132298	80306	46216	83101	56956	113657	42739	68415	68044	54304	64021	66709	91708	64019	117744	59742	72131	39957	71556	112259	116527	34720	715	0	0	78315	84427	0	83266	60283	64118	59177	33477	0	24026	14264	20991	82384	18163	52591	70518	52968	16661	20057	15528	24838	36045	69867	78325	166471	183046	64394	52380	49510	53443	55462	0	44164	46785	40245	42214	38747	30101	78927	17797	20029	44409	38782	33683	106542	89675	50967	118025	66027	94918	0	56351	61412	13947	13463	12188	76139	39451	58948	21789	75705	14586	0	54026	17391	Phytochemical	0.22222222	1.2222222	0.11111111
22	C18 H22 O4 N2	331.16522	331.1657	0.2985611	331.16534	9037	12673	10583	10033	12064	11578	8529	13330	5215	6093	5956	7219	4000	14322	6801	19179	11932	15758	14996	3255	4445	14371	9607	22953	20553	6870	7916	15062	15003	12731	12975	19052	22547	9134	4218	19358	41907	8328	12683	10469	10843	13307	0	0	0	7968	9786	0	13382	14147	11405	9117	12331	274	6695	2156	4818	20869	3004	8723	19499	5979	9228	4869	4604	6696	17433	15725	6462	5968	8927	7436	9286	10374	7865	13561	411	11214	11000	18150	11809	3413	4359	5862	4932	14379	18881	20568	15477	32669	17410	13317	30479	10568	7696	0	12349	12316	12191	1763	4436	19826	6398	9633	0	29735	9352	0	19914	5662	Phytochemical	0.22222222	1.2222222	0.11111111
10	C16 H26 O7	331.17514	331.17566	0.24159087	331.1752	5935	4831	5222	4280	3175	4693	12144	9847	2992	0	0	4110	4274	10854	7304	8939	8751	3386	3318	2741	0	3500	3542	3874	5434	2268	7930	0	10764	12097	9419	10461	10607	6210	0	12663	12446	5887	11316	0	1147	3700	3612	0	0	2641	0	0	8448	9108	6096	6657	3853	0	4349	5995	2825	8945	2758	4014	0	0	3023	2947	7869	2105	3983	8573	0	0	0	5285	6920	10783	6235	6101	0	3913	7302	0	4931	3422	26699	16226	4182	3103	6710	2719	3062	7890	3198	3349	6159	2814	0	1408	3841	6317	2758	4566	3455	8582	3116	3562	0	5968	4661	0	5719	4457	Lipid	0.4375	1.625	0.0
16	C16 H26 O7	331.17514	331.1756	0.24744277	331.1752	21924	21256	27886	16968	18886	28000	42560	36602	19222	4126	6434	11258	40282	29196	33905	33300	21017	34404	39146	7156	24302	11288	17300	21070	38650	2950	35058	21258	38196	34334	35134	39464	38750	43510	14650	47548	40658	26458	18412	12878	18050	16730	5604	4789	3089	9928	3362	4596	41094	25656	15678	21180	26410	3146	31544	20728	13730	39830	22694	4250	36788	5068	23842	15198	28239	36420	34372	21600	19350	24613	29112	27742	26757	36442	18520	30770	2142	26852	21676	20742	10694	12142	64882	27754	21964	16932	25424	18302	23893	0	39808	35302	0	9438	7326	4747	27693	21174	14438	25564	31236	40506	23638	19804	8820	0	27314	4312	19163	29432	Lipid	0.4375	1.625	0.0
12	C15 H26 O6 N2	331.18637	331.1869	0.34588313	331.18646	5694	2559	5853	6516	3358	2497	2877	8802	2247	0	0	2905	4601	2689	8712	11743	2216	6093	4557	2987	0	0	5648	14117	12811	0	5115	0	5547	3219	5109	4086	9223	3289	0	4752	7581	6113	2399	0	0	3752	0	0	0	1995	0	0	6775	2978	4377	3353	4010	0	3229	0	1043	15451	0	0	0	0	3485	1149	1455	5624	3217	0	0	0	0	6644	7524	4589	4198	5193	0	5561	6184	0	4640	3460	2383	0	2614	2942	11005	2319	3608	7810	14488	11532	28228	0	0	0	5708	8883	2188	1127	2674	6121	3470	2630	0	7627	1099	0	11928	5465	Peptide	0.4	1.7333333	0.13333334
8	C15 H26 O6 N2	331.18637	331.18692	0.26438805	331.18646	7802	4760	3150	4513	4838	4266	4651	6952	3166	1339	0	2647	4724	1754	6904	8302	4295	6945	8921	0	1212	7122	4224	11911	8498	0	4625	0	6870	3962	6229	8629	8675	7851	2407	7540	9123	5537	4634	0	1314	4042	0	0	0	3507	1898	0	9231	4307	4721	6786	4414	0	5481	2673	1580	11069	2362	1033	10239	0	4200	3137	1632	6000	4215	4222	0	0	0	7384	6205	3379	2429	4467	0	3676	6416	4173	2481	2053	2715	0	2292	0	7783	3682	5855	14120	18160	13838	24973	2387	0	0	5336	5123	2698	1652	0	6432	4199	1749	0	8520	2861	0	6733	4955	Peptide	0.4	1.7333333	0.13333334
10	C15 H26 O6 N2	331.18637	331.18692	0.32354552	331.18646	4045	2060	3999	4473	2896	5132	2738	7432	2192	1624	0	2551	4812	0	3884	10874	4588	5141	5412	2193	0	6680	3162	8742	7110	0	4692	0	5903	5553	4622	6078	8494	6133	1936	6177	7905	2230	6632	0	1565	1921	0	0	0	2096	0	0	7094	4546	4187	4228	2416	0	3045	2701	688	10532	0	0	0	0	2185	1844	2005	4743	2729	8033	0	0	0	6164	4897	3325	5789	3412	0	3009	5917	0	1618	1647	1891	0	3053	2774	7031	3917	3298	11914	20694	9929	12034	0	1926	0	3955	5794	1950	2896	3046	8722	3056	0	0	8719	2940	0	4528	4785	Peptide	0.4	1.7333333	0.13333334
10	C20 H26 O4	331.1904	331.19092	0.18593147	331.19046	17693	19912	15463	16261	7071	9139	16680	22125	10569	9326	8966	16694	8278	6692	14265	25513	25629	6265	7864	14449	10830	21050	12856	19943	18543	13138	23844	6776	15657	18576	18286	19451	15554	11618	11162	21795	16957	16826	28361	15170	11270	11143	5055	3369	4658	14224	13739	5077	13579	18019	15270	19396	10198	2936	13090	13909	10063	22760	12713	16759	21960	5461	8563	9282	11196	6848	7226	29339	12537	13478	18378	14354	14802	16928	26246	17933	3980	12752	21428	10616	21521	16075	17837	9689	13216	10241	24181	6467	8543	34902	17554	15987	22381	7720	15387	4590	15783	19107	9985	17694	19383	18411	19460	16967	0	15278	11479	3984	21858	6372	Phytochemical	0.2	1.3	0.0
24	C17 H30 O4 S1	331.19376	331.19406	-0.2730208	331.19366	2463	2160	1591	0	2315	2285	0	0	0	0	2283	0	2688	0	0	0	0	4032	1907	0	0	0	0	0	0	2670	0	1736	1357	0	0	0	0	0	0	2740	0	0	0	3371	5939	1724	0	0	0	0	0	0	1199	0	2437	0	3361	0	1789	0	0	0	0	0	0	0	0	0	2251	19335	21597	0	0	3002	0	0	0	0	0	0	0	0	0	3858	0	1508	0	0	0	0	0	2515	0	2087	6253	5701	0	1472	0	0	0	0	0	0	0	0	0	2255	0	2133	0	0	0	0	Organosulfur	0.23529412	1.7647059	0.0
0	C14 H26 O5 N4	331.1976	331.19824	0.055882	331.1976	4938	5433	4732	4058	2396	0	4303	3736	3174	0	2789	3661	3908	0	5151	0	6630	9376	3540	0	1120	3626	3031	3117	4489	0	0	100275	7580	0	6427	2999	11168	2284	1906	2817	9437	4580	9253	0	0	6123	0	0	0	0	0	0	2705	1907	4901	4601	10020	0	4326	781	2268	4604	591	0	2243	0	0	1712	4848	17307	4348	7085	0	0	0	3910	5867	3426	0	5039	0	4357	3172	95078	2622	0	0	0	1184	3817	2669	3784	4469	3619	35726	20360	6589	8890	0	0	5072	4415	1791	994	1900	4538	2535	0	0	6306	1607	0	4040	5963	Peptide	0.35714287	1.8571428	0.2857143
2	C14 H26 O5 N4	331.1976	331.19827	0.2570561	331.1977	15708	14757	12908	13963	1742	31447	3117	4764	2117	3933	10773	3963	1754	441	7567	11019	7361	8621	1679	577	314	1894	2798	6468	6022	0	2083	273897	6277	3269	5247	4429	8503	4127	1768	3832	7027	6021	9089	0	0	0	0	0	0	750	364	0	6895	3122	12814	13646	2905	0	1546	546	1641	13343	301	0	8383	0	1514	1219	0	7481	3271	7248	0	562	0	3686	3797	3900	1207	2992	0	2723	4388	817740	2677	0	0	0	859	2776	7774	3945	2912	29189	573150	270628	8052	74318	505	0	15146	13573	2194	583	1693	4375	4324	1330	0	5558	1099	0	9273	2418	Peptide	0.35714287	1.8571428	0.2857143
4	C14 H26 O5 N4	331.1976	331.19824	0.35490683	331.19772	1325	2760	2022	2071	459	1447	1142	1388	967	0	0	494	925	0	2159	2371	0	15714	8825	0	0	1014	1299	1296	3357	0	1124	12007	875	744	804	1142	1812	1119	0	831	1032	1978	964	0	0	752	0	0	0	0	0	0	1185	711	2445	1960	1447	0	1131	435	643	4880	0	0	2684	0	667	1043	0	0	1511	1164	0	0	0	857	0	611	0	309	0	762	994	35004	1314	0	0	0	11757	3908	3073	856	863	39930	32912	15553	3846	6296	0	0	1609	2435	503	2290	3046	1197	965	0	0	2223	1328	0	2415	1677	Peptide	0.35714287	1.8571428	0.2857143
10	C19 H26 O3 N2	331.20163	331.20218	0.23508799	331.2017	7083	6863	8168	8487	1126	6289	2998	11504	2097	17133	9577	3770	0	1679	3334	13151	7081	3410	6365	20938	18125	7213	4338	18103	8982	17734	6839	11758	8741	10101	7200	12681	12855	10791	15652	9410	16018	5283	8749	14230	4404	4590	0	0	0	6488	7048	0	10935	7734	10649	5761	2863	0	0	770	1325	14810	0	0	13187	2615	0	1259	1815	1399	6435	14438	9482	20603	15579	8050	7915	9841	10193	10721	0	4903	3896	4911	6675	668	0	7984	0	758	4567	5784	5666	18939	25967	0	25364	7548	16823	0	8131	8325	0	0	0	12124	4638	6993	0	13495	719	0	5776	0	Lipid	0.15789473	1.3684211	0.10526316
6	C19 H26 O3 N2	331.20163	331.20224	0.28906566	331.20172	10074	11357	10270	11754	1818	3998	6491	15820	1323	17126	9164	5964	665	1706	8400	14503	11039	3186	4295	22815	22226	9154	9497	22198	9492	12453	6969	18852	11573	14634	11866	16415	16413	13748	16852	13410	11897	6556	10678	15004	6896	4608	0	0	0	12451	13540	0	17138	13501	11634	9734	3249	0	2574	543	1922	16849	0	591	18771	6711	1285	0	1860	1965	6254	20401	8063	18181	15093	12509	11275	12513	11519	11624	0	6728	7481	13257	6700	0	1582	11854	786	1741	7875	4481	6607	28955	37140	6663	35915	11015	24206	0	9948	7914	649	0	0	13703	9098	9458	0	14466	840	0	8428	1007	Lipid	0.15789473	1.3684211	0.10526316
8	C19 H26 O3 N2	331.20163	331.2022	0.29784018	331.20172	12609	8879	9238	10107	2285	4767	5272	11863	1055	21129	15430	5254	835	2066	4402	10622	7121	2449	6660	29791	22936	6363	6327	16065	8698	15111	6543	18018	11502	8970	9675	11548	13884	10043	22201	10748	11379	4798	10487	19905	4783	4320	0	0	0	9455	12169	0	10857	8985	10562	9772	3761	0	1568	0	2999	12847	0	0	10371	7188	2082	1119	0	2826	5049	14202	12095	26458	24957	7697	9644	6745	10871	8790	0	7402	6686	9134	5361	868	0	14968	960	0	5533	5825	5369	24967	26491	0	25534	13133	21644	0	9178	10412	933	0	0	12741	6749	8285	0	12326	0	0	5690	1799	Lipid	0.15789473	1.3684211	0.10526316
4	C19 H26 O3 N2	331.20163	331.20227	0.25196287	331.2017	8548	8837	8436	8230	833	3638	4687	15364	600	8452	3553	7623	0	1131	8049	15201	11861	914	2744	10721	12344	5937	7904	16013	8082	6957	5887	8248	9659	9412	7776	13655	12172	9985	8643	12316	11291	7405	12556	10477	5774	2889	0	0	0	6678	7288	0	15041	12875	8263	7392	1385	0	1281	333	874	11322	0	0	13782	5058	250	1025	0	557	2532	15726	5485	7765	10037	12131	9244	11494	14099	8679	0	8381	8906	13988	7356	482	1325	8216	0	840	6824	3938	3591	18320	23341	3821	26927	8896	15143	0	7651	9571	690	0	0	10312	6510	9590	0	12821	0	0	8262	388	Lipid	0.15789473	1.3684211	0.10526316
2	C19 H26 O3 N2	331.20163	331.2023	0.23349226	331.2017	7996	5956	6438	6404	0	0	7312	15680	0	8236	4360	7840	0	0	7842	11402	13874	1042	1856	8010	10990	7824	7018	13764	7810	3668	4000	12902	8250	10178	10776	10694	8818	10782	9062	12672	10128	6818	15136	7566	7258	0	0	0	0	4204	5212	0	12272	10984	7364	6426	716	0	0	0	1006	9122	0	586	9906	4574	0	0	0	1068	3720	16058	2590	3600	3962	13334	10914	15694	13424	10018	0	8128	7300	10368	7334	0	1720	6892	0	966	4650	2532	2070	20776	9266	6038	17396	8980	9660	0	6924	6938	0	0	0	9528	6306	8234	2034	9174	0	0	8420	0	Lipid	0.15789473	1.3684211	0.10526316
28	C22 H27 O1 Na1	331.20325	331.2039	0.7609209	331.2035	0	0	0	0	1397	0	0	0	0	0	0	0	0	1657	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7843	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15182	0	1826	0	0	0	0	0	11985	0	3205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8212	28517	0	10934	1757	0	0	0	0	0	0	0	0	0	0	0	9661	0	0	0	0	0	20195	0	0	0	Phytochemical	0.045454547	1.2272727	0.0
20	C16 H30 O3 N2 S1	331.205	331.2057	0.20543842	331.20505	4178	2133	2648	3281	0	0	0	7473	0	0	0	0	0	0	0	27713	0	0	0	0	0	20427	2186	37605	3177	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5271	0	0	0	0	1814	5358	0	0	0	0	0	14992	0	0	18345	0	0	0	0	0	0	1626	0	0	0	0	0	0	0	0	0	0	2050	0	0	0	0	0	0	0	0	0	0	129269	0	0	88205	0	0	0	3353	4591	0	0	0	0	0	0	0	9605	0	0	3339	0	Organosulfur	0.1875	1.875	0.125
18	C16 H30 O3 N2 S1	331.205	331.2054	0.038453706	331.20502	9046	12085	8772	5985	0	0	0	19825	0	0	0	1990	0	0	3285	96265	1628	0	0	0	0	40409	18919	213995	7541	0	0	0	0	0	3624	0	0	0	0	0	0	3025	1762	0	0	0	0	0	0	27257	0	0	0	1681	9344	10830	0	0	0	0	0	66477	0	0	73044	0	0	0	0	0	0	2189	0	0	0	0	0	0	1284	0	0	1580	5874	0	6724	0	0	0	0	0	0	0	0	324021	0	3002	174112	0	0	0	6525	8471	0	0	0	0	1231	0	2169	37178	0	0	18437	0	Organosulfur	0.1875	1.875	0.125
24	C17 H30 O6	331.21152	331.2119	0.17345968	331.21158	1013	2194	1930	0	7750	3645	3527	0	1774	1951	1311	0	1467	1142	0	0	1762	0	2038	0	0	0	0	0	2329	0	2811	12112	0	0	0	0	0	0	0	0	0	904	2437	0	2600	0	3118	0	0	0	5843	0	0	0	869	2003	5718	0	6724	0	1754	0	4340	3006	0	4385	6774	4843	2581	6499	6056	5132	0	0	2308	0	0	0	0	1052	0	0	1656	6255	1515	1182	3600	2472	1281	0	3324	0	1273	0	12636	0	0	1563	0	0	1348	3709	2784	0	8035	1786	0	0	23316	0	5914	0	1346	1553	Lipid	0.3529412	1.7647059	0.0
22	C17 H30 O6	331.21152	331.2119	0.33303937	331.21164	0	0	0	1544	0	0	7715	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1637	0	4131	4657	0	0	1157	0	0	1245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	318	0	0	1134	0	0	0	1261	0	1424	0	3708	3820	4438	0	0	0	0	1475	0	0	0	0	0	0	0	26399	0	0	12710	6989	1326	0	0	0	0	0	35288	23289	0	1708	0	0	1615	1439	0	0	0	0	0	0	5871	0	0	0	0	0	Lipid	0.3529412	1.7647059	0.0
20	C16 H30 O5 N2	331.22275	331.22314	0.13103	331.22278	5235	2831	3774	2780	3770	0	0	33563	0	0	0	2138	0	0	7776	5756	0	0	0	0	0	0	0	3130	0	0	1390	0	10780	12017	51796	21755	20995	17331	0	19217	13451	5891	0	0	0	0	0	0	0	0	0	0	14070	13625	4038	5140	0	5027	3162	0	0	6085	5325	1856	8925	0	21350	0	0	0	0	0	0	0	0	23426	11903	14075	2411	10547	0	2951	0	0	0	0	0	0	0	0	0	0	0	1549	0	0	0	0	1877	0	1939	4816	0	0	0	61561	2054	2864	11127	1971	0	0	0	0	Lipid	0.3125	1.875	0.125
6	C16 H30 O5 N2	331.22275	331.22324	0.26102	331.22284	1344	2442	1438	1651	682	0	1324	2866	0	0	0	552	911	907	1179	4404	0	0	2444	0	0	823	2743	15721	1749	0	509	0	2578	1231	1438	10466	2537	8876	0	5163	3242	1054	0	0	0	0	0	0	0	2248	0	0	3158	845	1905	1784	720	0	567	0	0	6823	0	0	3283	0	0	0	0	1524	777	0	0	0	0	2617	1723	1453	0	1795	0	808	2449	0	836	0	0	0	0	0	4669	49938	1093	2745	3740	2473	3944	0	0	0	1335	1909	0	0	0	1808	842	0	0	2477	0	0	1506	0	Lipid	0.3125	1.875	0.125
18	C21 H30 O3	331.22678	331.22726	0.25382504	331.22687	15387	19963	13183	12567	7602	8234	25809	17255	7381	7808	7388	12211	3532	13924	15899	26273	46020	5153	11914	4761	4801	8960	9084	12063	20729	7695	29376	7232	14912	16895	14642	18207	17347	8834	3280	19427	17909	14727	48735	3214	7211	13213	501	321	331	5079	6119	0	20845	13518	15420	16394	8088	0	7326	13119	13085	28419	5848	13965	15822	3455	8324	8798	11938	5849	19095	52435	9493	5241	12940	5215	8122	18817	49071	15759	0	9299	28102	15453	15573	7673	18782	13441	18103	14474	34008	11663	14590	61572	17117	14284	26115	7642	7478	0	12525	15316	14406	21385	27670	23005	11557	10131	4398	15581	12642	0	27485	4447	Lipid	0.14285715	1.4285715	0.0
2	C15 H30 O4 N4	331.23398	331.23462	0.21427764	331.23404	2042	1231	1439	1768	0	0	3252	798	0	370	2811	1583	0	0	1586	772	2111	1245	0	0	0	0	706	0	722	0	1317	15120	1324	591	0	811	718	635	0	818	0	896	1808	0	0	0	0	0	0	0	0	0	934	453	1700	2527	0	0	0	0	0	593	0	0	0	0	0	0	0	1481	0	2774	0	0	0	0	592	761	417	634	0	1389	1607	42035	911	0	0	0	256	325	1748	2512	0	0	47073	32517	0	12950	0	0	1517	1523	460	0	0	879	912	0	0	0	0	0	989	0	Peptide	0.26666668	2.0	0.26666668
0	C15 H30 O4 N4	331.23398	331.23462	0.24887492	331.23407	0	2034	0	2453	0	17887	0	0	0	0	2053	0	0	0	0	0	943	0	0	0	0	0	0	0	0	0	0	135119	1808	0	0	0	3916	0	0	0	1236	0	1607	0	0	4444	0	0	0	0	0	0	0	0	0	0	0	0	609	0	0	0	0	0	0	0	0	0	1053	0	0	0	0	0	0	0	0	0	0	0	0	0	0	169092	0	0	0	0	0	0	0	0	0	0	218935	67077	0	4420	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26666668	2.0	0.26666668
20	C18 H34 O5	331.2479	331.24823	0.34725648	331.24802	1623	2504	2057	1795	0	0	1883	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3745	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2664	4275	0	428	0	0	1065	0	0	0	0	0	0	0	1991	0	0	0	0	0	0	0	0	0	0	0	0	0	0	377552	0	0	2726	0	0	3307	0	0	0	0	224214	82154	0	20900	2440	0	3603	2772	0	1716	13345	0	0	0	0	0	1613	0	0	0	Lipid	0.2777778	1.8888888	0.0
26	C18 H34 O5	331.2479	331.2481	0.33670285	331.24802	4642	2138	3872	3767	0	0	12507	0	0	0	6212	0	0	1841	0	0	0	0	0	0	0	0	0	0	0	0	9618	39294	0	0	0	0	0	0	0	0	0	2925	0	0	6596	0	0	0	0	0	0	0	0	0	3144	2430	0	0	0	0	0	0	0	6236	0	0	0	0	3568	0	0	0	0	0	6346	0	0	0	0	0	0	0	2394	112859	0	2724	3557	0	0	0	0	0	0	8860	196446	155446	0	11567	0	0	0	5470	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2777778	1.8888888	0.0
24	C18 H34 O5	331.2479	331.2483	0.23061469	331.248	48722	53760	55649	56514	91342	155025	10979	44135	0	3113	1957	0	16963	120298	0	15612	0	43009	58131	13807	0	0	0	8841	0	0	8847	14356	9341	9290	6303	17693	2356	8283	0	6908	0	0	0	20657	0	342373	1817	0	0	38485	2652	0	40750	15864	52217	49282	60967	5435	3407	74609	277835	15358	1349	1209	18774	0	2852	0	490231	49742	176745	0	0	11608	1995	16196	1850	2608	0	5172	0	932	0	51474	0	2832	2130	2573	316690	552383	0	0	124592	0	319939	326239	0	2363	11389	0	53345	62516	47455	386384	1634030	0	4696	12507	10223	0	502084	0	0	10870	Lipid	0.2777778	1.8888888	0.0
18	C18 H34 O5	331.2479	331.24805	0.31425065	331.24802	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1171	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30664	0	0	1165	1986	0	0	0	0	0	0	7887	3175	0	1606	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2777778	1.8888888	0.0
22	C18 H34 O5	331.2479	331.24832	0.26386395	331.248	54093	58353	58517	58795	88681	170186	6947	56797	0	1713	10093	0	17946	153329	0	16591	0	39432	55467	21043	0	0	0	13569	0	0	8184	25568	14048	15822	10252	18770	0	10634	0	12904	0	0	0	23783	0	419122	0	0	0	51720	4854	0	46262	18586	65918	61484	42046	5660	2538	77288	335888	24281	0	0	25677	0	2352	2623	651257	41834	181008	0	0	17721	0	28438	2012	4728	0	5389	0	0	0	420855	0	0	4300	4805	323478	603433	0	459493	155700	0	510623	509601	0	46292	22130	2988	54947	68406	50120	425954	1589818	0	1761	17254	0	0	545821	0	0	6341	Lipid	0.2777778	1.8888888	0.0
22	C22 H34 O2	331.26315	331.26352	0.1797166	331.2632	3177	3110	4134	3796	0	0	65058	2137	0	0	1906	1635	0	0	2768	3697	15089	0	1929	0	0	0	1862	0	2834	0	65462	1666	2716	4031	0	0	0	1342	0	3885	0	3986	11861	0	1951	1743	0	0	0	0	0	0	2446	3619	2002	1639	1312	0	0	0	1734	3258	0	1677	3984	0	0	0	3135	0	3718	11647	0	0	0	0	1170	6870	14688	6159	0	1287	8965	0	1805	1238	4640	4097	0	3987	17129	989	2229	13541	3816	0	0	0	0	0	2551	2301	1160	1637	1887	1805	2111	0	0	1895	1133	0	4618	0	Lipid	0.09090909	1.5454545	0.0
24	C22 H34 O2	331.26315	331.2636	0.26723248	331.26324	15631	18869	14058	12950	6197	2456	102584	13741	3819	4855	11712	9850	2176	26339	14062	24223	59775	1959	10595	5327	3525	2516	6287	5643	19502	17134	105795	23898	18009	23195	10384	22982	11575	12207	3874	29272	12994	18793	57626	2893	11487	9579	0	0	0	4178	11905	0	18889	18598	14453	12368	15080	0	4728	6920	12548	25616	6569	13787	25276	6159	9780	3603	31687	12846	29035	49740	7717	6915	12708	3976	8635	27497	45597	20801	0	5151	27290	27011	11218	14796	25082	30436	8595	13119	65635	6903	13086	85908	18447	15386	11695	7272	4126	0	14932	14203	9116	6037	9544	16701	9144	12027	6758	8733	7490	0	22273	3727	Lipid	0.09090909	1.5454545	0.0
14	C21 H34 O1 N2	331.27438	331.27487	0.29698986	331.27448	7312	9312	7371	6376	0	0	6580	77777	0	0	0	15680	0	0	21120	88261	14901	0	0	0	0	0	20702	66167	32936	0	6471	0	21056	24256	27491	18903	4469	17753	0	19694	8336	19135	9513	0	0	2815	0	0	0	4314	0	0	38796	58770	5438	7272	0	0	0	0	0	46131	0	0	60243	0	0	0	1106	0	0	35279	0	0	0	37048	15963	11084	29826	20000	0	20385	29697	0	37352	0	0	0	0	0	7987	0	1931	57495	0	0	35634	0	0	0	6456	7673	0	0	0	3990	15905	0	0	40289	0	0	25820	0	Lipid	0.04761905	1.6190476	0.0952381
26	C23 H38 O1	331.29953	331.29974	0.23238643	331.29962	0	0	0	0	0	0	33590	0	0	0	7033	0	0	8451	0	0	0	0	0	0	0	0	0	0	0	7750	46410	5853	0	0	0	0	0	0	0	0	0	0	2453	0	2161	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8750	0	0	0	11907	0	0	0	11144	0	0	0	0	0	0	0	0	0	0	6610	0	5918	2482	4105	0	0	2246	0	0	1574	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.04347826	1.6521739	0.0
14	C13 H17 O7 N1 S1	332.07986	332.08038	0.33647323	332.07996	8226	11252	11637	11926	8875	6954	3154	3282	8441	24254	9920	2562	13016	2511	3415	3422	5536	10712	13365	9411	12367	21803	3754	0	3522	4681	1829	10651	3527	2840	3116	0	7102	3318	23807	3694	7043	1860	3093	31181	18043	6974	0	0	0	10731	9273	0	5306	1455	7809	4635	8379	0	8294	7268	3295	8202	12174	8159	0	22378	6346	7270	2981	6054	4651	6791	0	3348	4798	3349	2249	3207	4049	4421	0	2455	2462	0	2901	8209	6060	10690	5341	3571	4335	6617	4628	5323	15516	41006	7538	15376	27801	0	10769	12973	5649	7045	2965	8520	3586	11914	0	3651	8439	0	3380	10579	Organosulfur	0.53846157	1.3076923	0.07692308
12	C13 H17 O7 N1 S1	332.07986	332.0804	0.30252263	332.07996	13219	8345	10823	9873	10480	8495	0	3750	14205	35516	16863	2459	16773	1531	1943	6493	3667	17632	8135	17967	23355	39631	3687	4521	3436	3663	1414	11425	1770	1939	2656	3215	4888	2218	38633	2708	5860	3063	4887	29562	21633	5325	0	0	0	16213	15386	0	3539	0	11600	8379	6896	0	11555	9826	3125	5919	11423	13387	0	25280	10938	7051	3113	7037	5758	5245	0	5523	13208	2147	4099	1749	3386	0	0	2695	3434	0	2175	11852	7310	7910	4643	3478	6209	6646	7240	8210	31108	43458	6706	19590	32986	0	7522	11159	8144	9947	10143	5910	1627	15573	0	6267	7709	0	2656	15424	Organosulfur	0.53846157	1.3076923	0.07692308
0	C14 H21 O8 N1	332.134	332.13477	0.21736065	332.13406	5826	7349	5571	5415	6001	71588	0	5487	3323	2220	0	1918	7968	0	0	0	0	9698	5111	2036	4580	4936	0	5509	1725	0	0	501	7442	2433	4662	7619	8422	80348	4146	5620	9976	0	0	1914	0	5430	0	0	0	2264	0	0	9865	3602	5859	4640	3745	299	3377	1595	0	6785	1171	914	5496	642	8281	4710	1355	12454	6225	2616	572	0	0	81824	52485	5507	0	8967	0	2441	1316	828	0	0	0	0	1506	0	0	16306	7009	0	6229	3369	4088	0	0	0	5572	6375	1218	1887	1609	5223	0	3514	0	6060	1390	0	0	14529	Lipid	0.5714286	1.5	0.071428575
0	C13 H21 O7 N3	332.14523	332.14594	0.19737707	332.1453	9210	8986	8016	7483	9229	14767	2195	13136	7921	1471	1244	4477	15122	5913	3184	0	2695	14408	11696	2061	3566	6726	6878	11417	3951	0	0	2745	18427	5661	9616	14183	21631	15245	4001	10302	15390	3228	5378	0	0	17159	0	0	0	4002	0	0	13327	6533	8727	7412	10148	0	7145	5363	3460	14199	1279	593	5236	0	11595	5837	4496	16205	20374	5419	0	0	0	13133	18536	7926	0	11899	0	3395	3304	7553	2406	563	0	0	5282	4060	3476	11254	11827	5843	20148	7555	13745	2069	0	0	8467	8235	5031	4108	4263	9187	4179	3099	0	16334	10801	0	2817	25117	Peptide	0.53846157	1.6153846	0.23076923
20	C15 H25 O5 N1 S1	332.15262	332.15305	0.26938486	332.1527	2852	3160	2913	0	1537	0	0	1962	0	0	0	1611	0	0	0	7094	5886	3778	0	3707	0	5151	1696	26089	2271	0	2118	2846	3297	0	1591	2949	2342	5328	0	1449	0	1759	3381	0	1476	1101	0	0	0	8279	5429	0	3218	1347	2259	1801	3714	0	0	0	1328	12548	1321	2100	9493	1233	0	0	0	0	2037	2151	0	0	0	1848	1801	1873	2875	3234	0	0	0	3069	1978	1590	0	0	0	1693	2560	3494	2195	2061	6018	14951	7013	1828	6901	0	4942	4293	2372	0	0	0	2204	3738	3484	8137	0	0	2363	0	Organosulfur	0.33333334	1.6666666	0.06666667
26	C15 H25 O5 N1 S1	332.15262	332.15298	0.42204195	332.15277	4929	3823	3607	3808	32546	31889	0	0	19682	0	0	0	13158	61073	0	0	0	22091	21566	0	0	0	0	0	0	0	3740	5581	0	0	0	0	0	2279	0	0	0	0	0	0	0	39645	0	0	0	0	0	0	1939	0	5381	5470	24120	0	8866	0	34929	0	0	0	0	0	0	7038	36414	14558	89631	2773	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5665	3296	8147	17640	0	5634	11034	1918	0	2251	0	0	0	0	3830	7925	13301	0	0	0	0	0	0	0	23113	0	2918	1840	Organosulfur	0.33333334	1.6666666	0.06666667
4	C15 H25 O7 N1	332.17038	332.17105	0.23421213	332.17047	13791	32464	14900	13758	13208	9372	8444	18148	14453	7726	6093	19676	50404	7765	26872	29770	12198	20076	44486	15015	12334	18909	26082	28534	18472	3653	7205	0	18386	13583	16117	14300	18481	13642	16253	15962	33776	21400	29240	9060	7494	11969	0	0	0	11884	11407	0	18105	17027	14631	11179	14065	379	26111	17179	6857	39114	16973	9897	17626	7266	48878	17036	11351	36370	21558	10711	5190	6890	6191	27450	12074	34166	6056	13650	0	22840	20062	8132	17880	9639	10877	3126	36368	25172	13277	8112	11181	22502	42296	51146	45746	6695	10487	0	15572	34600	8768	20745	20362	37754	10323	21097	9634	25018	15676	0	12462	54794	Lipid	0.46666667	1.6666666	0.06666667
8	C14 H25 O6 N3	332.1816	332.18222	0.40687817	332.18173	3083	4261	4752	5004	0	1278	752	1676	692	0	2592	657	0	0	1965	1778	1403	0	1233	0	0	1484	753	2032	1771	0	975	25196	0	1891	1597	2534	5188	1309	0	2269	6664	1177	1936	0	0	1091	0	0	0	0	0	0	1801	0	3389	2495	0	0	902	0	0	0	0	0	0	0	1123	0	0	993	0	3322	0	0	0	1130	1238	1913	991	1198	0	958	1332	31627	735	0	0	0	0	0	3058	1951	0	2859	244827	186327	3674	11336	1979	0	3033	5038	0	0	0	3926	661	0	0	1831	0	0	1452	0	Peptide	0.42857143	1.7857143	0.21428572
10	C14 H25 O6 N3	332.1816	332.1819	0.36114845	332.18173	0	1479	0	1647	0	0	0	1149	0	0	0	0	946	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14669	0	0	0	1405	0	1904	0	0	0	942	0	0	0	0	0	0	0	0	0	0	1454	0	1767	1435	0	0	0	0	0	1405	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1234	0	0	0	0	0	0	9962	0	0	0	0	0	0	994	0	0	1199	113390	74800	0	5107	0	0	1566	0	0	0	0	0	933	0	0	1169	0	0	0	0	Peptide	0.42857143	1.7857143	0.21428572
16	C14 H25 O6 N3	332.1816	332.182	0.515833	332.1818	0	0	0	0	0	0	0	0	0	0	1647	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28777	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9702	0	0	0	0	0	0	0	0	0	0	5179	2016	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.7857143	0.21428572
0	C14 H25 O6 N3	332.1816	332.1823	0.13309126	332.18167	15843	13870	13490	13250	11169	18792	6984	19159	10585	3390	22122	7661	15357	5907	7123	3473	14511	19725	15198	2509	4219	9683	10495	13443	7580	0	0	79260	26142	9293	15502	17540	31561	21049	5373	18537	20861	7457	16368	1658	1425	14080	0	0	0	4586	1716	0	20295	9155	13244	12771	13973	0	10993	3808	4319	19246	2437	2037	9455	693	10850	9668	8316	17125	18595	16491	0	0	0	17893	23162	15357	0	16371	0	10320	6713	143443	5157	0	1550	0	5696	7548	7840	13928	15466	11792	169097	87220	22631	53366	0	0	15136	15373	5284	4222	5787	11897	8117	2904	1275	20412	8271	0	6576	25973	Peptide	0.42857143	1.7857143	0.21428572
2	C19 H25 O4 N1	332.18564	332.1863	0.20286337	332.1857	29861	30895	24612	24131	1902	0	24325	63252	2329	25429	13323	23367	1501	2474	24464	50386	38130	5838	7439	38040	35323	25391	23257	113659	31364	19777	26281	9804	48405	40468	37463	45900	33444	38345	27901	49876	39684	20312	41484	30298	26899	10500	0	0	0	24691	22333	0	55837	51279	23264	25843	5406	0	3361	1235	4823	40545	2567	5344	41799	14011	1758	3911	4875	4104	12426	45747	13938	20297	21751	40947	43841	54095	55564	41061	0	24775	22082	12335	19106	7783	10125	21545	2351	4943	21527	9252	12564	46410	16962	11329	56094	14787	37896	0	26271	28288	2361	920	1033	35546	18975	49621	10808	31443	1210	0	27126	1852	Phytochemical	0.21052632	1.3157895	0.05263158
4	C19 H25 O4 N1	332.18564	332.1863	0.20752423	332.1857	64197	66242	61872	64233	10400	24403	49801	139437	10510	84366	34233	59590	9127	10030	78087	120921	83830	19706	30143	109352	111486	72183	54138	330893	72893	68419	58900	36351	97178	80460	83427	92433	95199	86078	96585	105995	93167	54452	88526	72722	54957	28222	0	0	0	72333	56473	0	103940	116913	68671	58108	21064	322	16548	4806	16614	106337	2553	6984	107457	37839	9498	13820	12890	15224	26242	91894	46143	79336	85058	82698	83482	102431	98237	76679	0	67600	59490	50129	54736	10755	16052	53363	8153	14329	54447	29492	39270	106994	49669	19095	147915	49345	99951	507	66207	76817	7935	5493	5157	84765	53032	97550	21097	81999	6412	0	66792	11052	Phytochemical	0.21052632	1.3157895	0.05263158
20	C16 H29 O4 N1 S1	332.189	332.18948	0.29478434	332.18912	50577	40872	41406	45471	0	0	55613	42210	0	0	6897	32096	0	0	47616	46435	88279	0	2708	0	0	41951	62217	145154	20846	0	51847	4767	12741	46310	25011	20165	14414	8658	0	33141	2470	61964	95335	0	0	2745	0	0	0	19900	3652	0	14633	28366	42733	49623	1219	0	0	0	21288	69868	0	0	32502	0	0	0	18198	2465	5209	101410	0	0	2952	7941	21769	86479	96548	43240	0	23033	188878	61113	304539	15155	0	0	1950	8912	251444	2206	2853	1841154	0	8717	146533	9138	3183	0	50034	47163	0	0	2244	9221	21003	0	1549	43677	0	0	43894	0	Organosulfur	0.25	1.8125	0.0625
22	C16 H29 O4 N1 S1	332.189	332.1895	0.34437478	332.18912	2415	4571	2874	2222	4756	4109	0	2718	1479	0	0	3322	5182	0	0	5152	3769	7216	7282	0	0	8876	26219	9905	2884	0	0	0	5044	2806	2764	0	1201	2015	0	3307	2014	0	2543	0	0	5501	0	0	0	0	0	0	3007	1544	2906	0	11457	0	0	1914	4077	5930	0	1637	5139	0	0	0	2490	24254	21464	4738	0	0	0	2578	2555	3055	1055	2772	0	0	3546	0	12552	0	0	0	0	5377	4300	18460	6106	19815	0	0	25464	0	0	0	1841	2745	4032	1948	3081	2063	1553	1912	0	10091	6320	0	1294	0	Organosulfur	0.25	1.8125	0.0625
0	C13 H25 O5 N5	332.19284	332.1934	0.16561076	332.1929	1970	1881	0	0	0	53742	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3159	4634	17995	5303	0	5840	39522	0	959	0	0	1467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4823	0	0	0	0	0	0	0	0	0	5177	0	0	0	0	0	0	0	0	0	1170	0	1228	0	0	0	0	0	0	0	0	0	0	11597	2590	0	0	0	0	0	0	0	0	0	27222	0	0	0	2575	0	0	2794	0	Peptide	0.3846154	1.9230769	0.3846154
12	C18 H25 O3 N3	332.19687	332.1974	0.22996973	332.19693	5950	6377	4301	5342	0	0	0	3047	0	2922	3121	2037	0	0	0	3168	0	0	0	0	1563	0	1707	2354	0	2001	0	67224	2281	1092	1633	1304	3053	0	2403	1725	0	0	1637	2080	0	0	0	0	0	0	4270	0	0	0	3126	6105	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1224	3100	0	0	0	1983	1177	0	1104	1224	149541	968	0	0	2415	0	0	0	895	0	0	571918	306496	3553	19807	6480	0	5944	4076	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.16666667	1.3888888	0.16666667
4	C16 H29 O6 N1	332.20676	332.20746	0.25266942	332.20685	7860	8619	7065	7118	5174	4351	5461	10374	5110	3933	1803	5289	5749	6729	5327	9079	7209	4804	5765	6372	3962	5771	4945	6592	6600	1924	4669	0	6992	6791	7792	8853	9188	5606	5896	10981	7581	4412	6631	3006	4788	2985	0	0	0	4541	8961	0	10157	7973	8905	6780	3374	0	5170	3021	2131	11811	3710	3340	9493	3346	4823	2567	9999	6283	3619	6325	8583	3194	4043	6155	7991	11317	4199	6219	0	7179	4801	4427	4236	3222	3792	2629	3633	3309	10428	2670	3759	7611	29188	25572	10566	3556	5374	0	6585	6285	4001	3267	4216	8970	5879	11335	3806	5086	4233	0	4192	6460	Lipid	0.375	1.8125	0.0625
2	C16 H29 O6 N1	332.20676	332.20743	0.21426319	332.20685	7022	6148	6012	6001	3373	0	5473	7654	2316	4131	2310	4338	3224	11292	4913	6631	5555	3473	4767	5050	3848	5182	4550	4738	5481	1416	6973	2690	8134	6183	6396	6040	8630	4131	4951	6328	7569	4014	6287	2898	3972	0	0	0	0	3589	4924	0	8078	5630	5826	6557	3442	0	3831	2236	1419	9550	2919	1779	9352	2968	3684	2465	30725	3420	4378	6573	4589	3146	4098	4909	5557	7656	2737	6627	0	4567	5705	14492	3240	5254	2498	2453	2055	1957	10536	3374	2441	11525	28006	30110	8061	4572	5318	0	5825	7115	3225	2760	2702	6026	4969	5250	2977	6617	1735	0	4958	3860	Lipid	0.375	1.8125	0.0625
14	C16 H29 O6 N1	332.20676	332.20728	0.28643706	332.20685	3158	4987	7816	5308	5695	6065	41871	6516	4979	0	0	2902	6005	33549	4673	10920	18745	8573	7518	3462	2152	7858	8072	7958	9669	30376	17058	0	14198	10064	5879	0	11404	8319	2636	12846	8004	4929	13493	0	0	7152	2738	0	0	3645	0	456	7738	7622	5355	4915	4278	603	9600	9963	1704	9811	0	0	0	0	8350	2519	19957	11617	12837	15924	0	0	4314	5276	6284	11276	14025	5878	0	5775	11056	0	4458	5099	57444	40672	11513	8246	9897	3242	7298	7737	10851	4178	10375	3409	1799	1395	4533	10157	5554	7963	15809	18497	7433	5639	0	12963	8946	0	4633	3491	Lipid	0.375	1.8125	0.0625
12	C16 H29 O6 N1	332.20676	332.20728	0.26692355	332.20685	5672	2403	4690	4637	10283	7815	11875	11315	3658	4165	0	3290	6537	23773	8455	6395	15093	10406	10182	2510	3556	0	5795	5496	8164	9466	2304	0	10743	6734	8580	6773	12628	8238	3710	8125	9306	5055	15965	1416	0	4383	1902	0	0	1725	0	0	5475	3905	4477	4696	6686	0	9129	5335	4056	8375	0	0	0	0	8435	2807	8041	8075	7974	11891	0	2391	0	4213	5425	7701	5012	4580	0	6451	3918	0	3689	4541	44628	26074	6347	7223	11723	3754	5176	14950	10099	6892	8082	3582	0	616	1941	4594	6344	5116	8015	10598	2963	0	0	6410	6257	0	6222	6423	Lipid	0.375	1.8125	0.0625
22	C16 H29 O6 N1	332.20676	332.20724	0.25549766	332.20685	10711	9721	10595	10277	16704	17194	23477	10814	10906	10430	3127	12495	19018	26254	10530	9477	10450	20598	20044	3267	4194	1731	10869	4323	18002	0	29419	18760	22414	16815	12310	13166	17468	15211	5188	19739	16272	9219	6981	0	2430	11352	6505	0	685	3042	4468	0	18160	9391	11293	10161	16598	1519	25480	10596	9202	11542	8711	3463	11528	3034	15788	11209	13019	22523	33388	9767	0	0	0	13139	13769	16734	9439	12361	995	11760	3118	13906	3333	3687	16136	4582	7952	12914	13109	8156	10324	5597	27284	22689	10059	2534	3820	0	10600	10986	11461	8473	11774	15116	16383	7344	18133	7733	9225	0	6220	15311	Lipid	0.375	1.8125	0.0625
10	C15 H29 O5 N3	332.218	332.2184	0.22168878	332.21808	1307	0	1159	1538	0	0	1123	0	0	0	0	0	0	0	0	0	1040	0	0	0	0	3532	0	0	2569	0	0	5481	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1521	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1111	2143	0	1038	0	0	1468	17882	0	0	0	0	0	0	1742	0	0	30489	118244	34071	15326	3496	0	0	0	1061	0	0	0	0	0	6767	0	0	0	0	1647	0	Peptide	0.33333334	1.9333333	0.2
4	C15 H29 O5 N3	332.218	332.2187	0.33180276	332.2181	9502	9061	7136	8076	884	5123	0	655	493	0	3199	290	2255	915	378	2594	1191	2234	702	0	0	1046	380	1207	764	0	0	86750	876	490	363	964	1323	1007	0	1078	923	436	1138	0	0	908	0	0	0	0	0	0	0	0	9731	7128	667	0	484	240	0	1059	0	0	1412	0	1025	399	0	0	505	0	0	0	0	876	628	626	0	0	0	0	1129	852638	366	0	0	0	0	417	1250	596	579	3279	553252	154630	2954	54987	6776	0	7349	7784	772	410	373	749	343	0	0	936	445	0	1091	2726	Peptide	0.33333334	1.9333333	0.2
8	C15 H29 O5 N3	332.218	332.21857	0.37598968	332.2181	28594	29093	24220	25006	0	21491	0	1116	696	0	15148	819	0	0	868	6746	1889	7519	0	1720	0	1349	0	1256	779	0	1287	256590	1701	786	1061	1732	5455	3190	0	920	5682	1328	3064	0	0	5655	0	0	0	2616	0	0	2004	0	23448	25701	0	0	0	0	0	2337	0	0	0	0	0	0	0	914	780	1311	0	2867	9835	1822	0	785	0	963	0	1011	0	1371094	0	0	0	0	846	0	0	2099	2890	1481	1572113	583250	1870	158615	14333	0	26904	20986	3680	0	0	980	0	0	0	1712	0	0	1601	1146	Peptide	0.33333334	1.9333333	0.2
2	C15 H29 O5 N3	332.218	332.21872	0.32691953	332.2181	18524	18709	17943	17994	3863	30822	2502	3269	2817	1009	17605	1873	6584	1607	3193	3267	3984	5792	3932	631	387	4188	2359	4145	1369	0	1305	280118	3199	997	3285	2722	6450	2575	1387	1896	5028	1634	4753	391	388	4650	0	0	0	831	906	0	4076	1320	17813	17296	3771	0	3164	1289	1200	4662	0	326	2166	0	3670	2875	2487	7153	2847	4572	0	409	0	3036	1674	1358	832	2115	0	2314	2081	1957020	1504	0	0	0	1874	3075	4524	3945	2976	5155	568609	439026	6410	185564	1646	0	21924	17092	4190	1422	2512	3456	2740	1182	318	4202	3020	0	1778	3692	Peptide	0.33333334	1.9333333	0.2
10	C20 H29 O3 N1	332.22202	332.2226	0.25673172	332.2221	41299	35622	31819	34676	2958	8606	32097	56451	3332	49284	29760	28263	1222	2951	24177	117016	30270	5144	11331	70171	50258	32734	24826	68128	65665	37004	47476	31069	48800	45786	41878	55167	59010	47022	47031	53435	54413	28672	27979	37108	2376	14806	0	0	0	24178	18097	0	53958	43523	32263	33628	6800	0	3844	722	6855	154935	0	0	108620	9461	2423	5332	8206	8321	15490	50740	20676	55931	41782	48198	46041	53596	41306	42335	0	30434	14272	15171	17693	0	0	30122	2483	6464	19338	14688	17248	100152	61568	5073	340491	16225	48519	0	37455	34269	3030	0	1835	49877	27884	23829	0	128534	909	0	28865	2225	Lipid	0.15	1.45	0.05
8	C20 H29 O3 N1	332.22202	332.2226	0.24531972	332.2221	47259	54020	38191	49000	4234	10391	34091	101853	2219	58410	30867	52997	1366	2927	40517	127665	58370	5329	14705	74285	63257	24634	41362	110652	47786	26074	54262	30372	69310	87019	74060	95869	82103	74405	62348	87142	87251	44369	60926	44877	5378	18869	0	0	0	28960	26368	0	107824	83050	50475	50970	11293	0	3495	939	8822	86841	0	0	104095	10876	1656	2609	9788	6770	16864	94246	15589	39840	35495	80707	74334	88866	78217	81471	0	50628	41195	22727	33695	623	831	36345	1389	5201	35171	23161	22719	101989	67556	0	122958	29678	65380	0	52813	52229	3200	610	0	75894	48197	35091	9106	82573	0	0	37863	2054	Lipid	0.15	1.45	0.05
12	C20 H29 O3 N1	332.22202	332.22256	0.2777812	332.2221	17653	18904	16571	15422	2084	5228	14828	46446	1417	19805	12121	21245	1757	1578	17177	59438	13301	0	9237	30376	28688	4533	7374	41579	12835	23107	30619	13135	27825	29773	50685	32029	41061	25449	26576	29786	42792	18002	12288	17831	0	6068	0	0	0	11443	7572	0	31441	31889	15145	11128	4312	0	0	0	3506	50373	0	0	35502	2549	1761	2710	2733	2226	6672	25222	0	33658	26100	24721	28265	31915	24820	28391	0	21375	4823	0	7648	0	0	11816	0	2423	8334	6178	7192	37856	26735	0	51584	6759	23848	0	14322	11695	0	0	0	38294	21184	0	0	28418	0	0	7023	0	Lipid	0.15	1.45	0.05
18	C20 H29 O3 N1	332.22202	332.22247	0.28261602	332.2221	5566	6804	5305	3998	1565	1781	2568	3209	1344	5810	3609	2558	0	1637	1814	7919	9616	1709	0	8855	6676	5545	0	5214	2521	8551	5272	4998	3769	4022	7624	8939	5488	0	3076	3060	5314	3038	9669	7613	19990	2968	581	0	0	0	5266	0	3469	3925	3600	4788	1750	374	1634	2262	1010	9878	1704	15673	3624	3473	0	0	2193	0	2080	11384	7107	9669	9843	3191	3740	7149	7901	4879	0	1935	4347	7097	1335	0	1401	9219	0	0	6622	1406	2021	31550	19618	9827	17994	7889	8941	0	6959	6623	0	0	1811	5636	2278	6104	0	6753	0	0	3689	1792	Lipid	0.15	1.45	0.05
4	C20 H29 O3 N1	332.22202	332.22266	0.21191874	332.22208	14541	13040	13281	12577	654	2987	20175	29657	0	8673	3996	26913	0	0	23007	39684	21516	1673	2809	11998	9271	8236	19194	17663	28113	3171	25959	4016	16994	14065	27720	15113	33545	11258	10384	19819	26120	20028	21331	10498	3307	4990	0	0	0	8055	6321	0	32591	23126	13621	10599	30691	0	0	0	12287	30430	0	0	32692	4999	0	366	7870	5391	3754	26006	2227	2968	2535	15059	12887	18087	23025	12333	0	28021	40686	4789	36898	453	693	7841	0	7907	26611	3712	6928	26708	25944	2517	23274	8906	21365	0	14068	14438	1063	0	0	30596	22541	12135	4751	15624	0	0	29305	691	Lipid	0.15	1.45	0.05
6	C20 H29 O3 N1	332.22202	332.22263	0.22468819	332.2221	37471	40466	34780	33778	2351	4272	33353	82450	678	41494	23445	41853	605	462	37862	86649	48341	3941	10984	47691	47515	17387	35219	81548	37729	20953	38992	19737	62621	67765	61539	78161	64352	63038	35379	75153	60026	38682	70067	24490	7467	13751	0	0	0	20418	25299	0	89417	75124	40470	31844	10422	0	1076	728	6354	68510	0	0	67667	11170	0	0	6452	14724	12630	88109	14667	18794	23856	75920	72215	79257	72081	58473	0	37406	37898	21973	38318	1375	2142	23115	1698	5004	34958	13601	18548	76737	34055	0	81596	21625	42823	0	38505	35472	1263	547	0	65379	35570	38370	15443	63073	859	0	38681	2886	Lipid	0.15	1.45	0.05
20	C20 H29 O3 N1	332.22202	332.22247	0.26285383	332.2221	7807	9342	6898	12040	3274	0	8408	4281	3269	6766	9909	5508	0	8642	5674	18907	12716	2147	5741	11324	7772	6764	2653	9485	6550	24920	6814	10656	6805	9564	5226	6453	8237	12249	12159	11566	7246	4067	13036	9598	21812	3177	0	0	0	7318	14209	0	7616	7229	5126	7873	3333	555	0	3022	3820	13344	2959	19626	7147	6749	3127	2399	2407	2778	3784	23101	15751	18476	31683	6183	4601	6092	15474	7708	0	8272	6700	14345	3970	5610	7293	7787	1925	3845	11114	4494	3159	53408	24671	16546	20144	10270	14598	0	6961	6671	3037	2425	3838	8701	4489	9613	5362	8734	2414	0	9110	3137	Lipid	0.15	1.45	0.05
24	C17 H33 O5 N1	332.24316	332.24362	0.28681278	332.24326	5145	5617	6007	4897	60986	9380	51342	1173	2916	2025	11210	0	2670	14899	0	0	0	0	0	0	0	0	0	0	0	2984	33595	52235	0	0	0	1332	1337	0	0	1366	0	1053	0	0	4524	0	6037	0	0	0	10799	0	0	1811	5695	8041	0	5826	18342	1007	1134	0	1316	6211	2850	1400	69973	1381	12941	6396	3299	1417	0	0	7266	0	0	1465	0	1608	0	0	1157	134881	982	4258	23285	22847	0	0	1379	0	1091	0	101925	95419	0	17214	3245	0	4178	7837	7826	0	3413	1465	0	1623	12649	0	3488	0	1281	2787	Lipid	0.29411766	1.9411764	0.05882353
22	C17 H33 O5 N1	332.24316	332.2435	0.23994039	332.24323	0	0	1326	1347	3844	1163	52495	1256	0	0	0	0	0	11971	0	0	0	0	0	0	0	0	0	0	0	0	32804	7108	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2324	0	0	0	0	0	0	0	0	0	0	461	0	0	0	0	0	0	0	0	3879	0	8696	1449	2527	0	0	0	0	0	0	0	0	0	0	0	0	10703	0	0	15671	12271	0	0	0	0	0	0	10920	8891	0	1912	0	0	0	1287	0	0	0	1619	0	0	2862	0	0	0	0	0	Lipid	0.29411766	1.9411764	0.05882353
14	C21 H33 O2 N1	332.2584	332.2589	0.37037468	332.2585	9905	5999	11905	6431	0	1752	0	20083	0	0	0	4441	0	0	2031	130947	2605	0	0	2485	0	0	2606	56046	18436	0	7814	0	12279	7588	4912	12031	3687	9755	1846	7291	1910	6428	0	0	0	4569	0	0	0	3645	0	0	9391	11201	8542	6506	0	0	0	0	850	143585	0	0	98742	0	0	0	0	0	3569	8228	0	0	0	15763	7809	5497	6590	4580	0	4985	5566	0	3838	0	0	0	0	0	1834	4419	5580	233413	4358	0	330194	0	0	0	7420	7329	924	0	0	3924	3027	0	0	140740	0	0	8351	0	Lipid	0.0952381	1.5714285	0.04761905
16	C21 H33 O2 N1	332.2584	332.25885	0.2247748	332.25848	3456	2922	4241	4423	0	0	1366	16343	0	0	1637	25402	0	0	11618	34605	0	0	0	2446	0	0	13264	32856	24901	0	4572	0	9049	21849	14415	15493	7252	16843	0	16129	10709	11169	0	0	0	0	0	0	0	2372	0	0	9896	18418	4622	4053	0	0	0	0	1013	25859	0	0	32617	0	0	0	1045	0	1314	9282	0	0	0	15442	18381	24276	5772	15244	0	32604	2622	0	4105	0	0	0	0	0	0	1809	2473	56988	0	0	40033	0	0	0	4295	1887	0	0	0	10645	22344	0	0	52751	0	0	5151	0	Lipid	0.0952381	1.5714285	0.04761905
22	C18 H37 O4 N1	332.27954	332.28003	0.22670074	332.2796	13106	13376	16603	14419	4413	89979	0	5558	0	73147	0	0	8627	25139	0	36235	8118	14794	0	2302	11506	0	0	2483	0	0	0	0	1554	49280	8565	46205	72896	5544	11565	18460	11194	0	0	12626	5825	53416	0	0	0	39510	43641	0	142059	268890	13847	9975	0	26298	0	0	1686	9594	0	194524	13750	0	31489	0	1313	57939	1180	20861	0	0	2563	7609	0	5193	4740	96726	558	0	0	0	0	0	0	0	0	1387	0	64549	1227	6906	40905	0	87233	0	162239	0	10391	11492	0	0	0	1449	0	1447	0	0	0	0	0	179107	Lipid	0.22222222	2.0555556	0.055555556
20	C18 H37 O4 N1	332.27954	332.28	0.37585935	332.27966	1589	2128	2289	0	0	6505	0	0	0	9004	0	0	0	1309	0	2570	0	0	0	0	0	0	0	0	0	0	0	0	0	4344	1590	3397	4388	0	0	1624	0	0	0	0	1693	6588	0	0	0	3942	3097	0	16347	21751	0	0	0	3536	0	0	0	1825	0	17785	1433	0	0	0	0	3953	0	0	0	0	0	0	0	0	0	13894	0	0	0	0	0	0	0	0	0	0	0	5864	0	0	12996	4800	7813	0	18457	510	2243	0	0	0	0	0	0	0	0	0	0	0	0	21833	Lipid	0.22222222	2.0555556	0.055555556
26	C18 H37 O4 N1	332.27954	332.27975	0.2598607	332.27963	2646	0	1883	0	0	0	9630	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12788	0	0	0	0	0	0	0	0	7384	0	0	0	0	0	0	0	0	0	2168	0	0	0	0	0	0	0	0	0	0	0	0	6357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6863	3995	2117	0	0	0	0	0	1999	0	250329	0	7624	0	0	0	0	1842	0	5625	0	0	Lipid	0.22222222	2.0555556	0.055555556
10	C18 H37 O4 N1	332.27954	332.28018	0.3534401	332.27966	0	0	1199	0	805	19117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	82669	0	0	0	0	0	0	0	0	1163	1439	29693	0	0	0	56784	0	0	0	0	0	0	0	0	33588	155091	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1200	1559	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22222222	2.0555556	0.055555556
20	C19 H41 O3 N1	332.31592	332.31628	0.25597772	332.316	0	0	0	0	0	0	5121	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4278	6178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	877	359	0	0	570	0	0	0	0	0	615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	347	0	0	0	0	0	0	178869	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.15789473	2.1578948	0.05263158
18	C19 H41 O3 N1	332.31592	332.31607	0.30508313	332.316	0	0	0	0	0	0	26768	0	0	0	0	0	0	2197	0	0	0	0	0	0	0	0	0	0	0	3344	19853	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	211	0	0	0	0	0	0	0	0	0	0	2513	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	131671	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.15789473	2.1578948	0.05263158
28	C15 H8 O7 S1	333.00635	333.00677	0.4239377	333.0065	3196	2992	2631	2895	1098	0	2143	3710	862	0	0	1310	1931	0	0	7305	4836	3092	5002	0	0	4784	0	6502	2654	0	3013	0	0	0	2323	1870	3418	1089	809	0	2713	1937	4294	0	0	2654	0	0	0	0	0	0	3242	0	2248	2351	1574	0	1813	0	0	4445	0	0	5655	0	848	0	0	2185	2232	5651	0	0	0	1642	1566	0	4426	2645	0	1794	3480	0	3748	0	0	0	0	0	5280	2773	2106	24303	0	0	14324	0	0	0	1876	2552	0	0	0	2707	1904	0	0	6866	1356	0	5214	1409	Organosulfur	0.46666667	0.53333336	0.0
28	C14 H8 O6 N2 S1	333.01758	333.0179	0.25850812	333.01767	1195	1339	1334	1605	0	0	4437	0	0	0	0	0	0	0	0	0	15896	0	0	0	0	1303	0	1910	2132	0	5677	0	0	0	0	0	0	0	0	0	0	0	16043	0	1150	0	0	0	0	0	0	0	0	0	2473	1286	0	0	0	0	0	818	0	1203	0	0	0	0	0	0	0	8399	0	0	0	0	0	0	0	0	0	0	16377	0	8141	0	0	0	0	2273	20313	1006	0	18972	0	0	2872	0	0	0	1360	2092	0	0	0	0	0	0	0	1145	0	0	12335	0	Organosulfur	0.42857143	0.5714286	0.14285715
28	C15 H8 O9	333.0241	333.02448	0.3254858	333.02423	5185	3637	4764	4838	17150	6351	4468	0	13452	0	0	2419	27015	9870	2504	2912	0	20932	22911	0	0	1268	3715	3009	0	0	3123	0	0	0	4313	0	1214	0	896	0	2213	2644	0	0	989	0	1371	0	0	0	0	1464	1217	0	5085	5558	10486	0	18293	7257	4023	1183	0	0	2244	0	29603	13663	3121	21709	3767	1793	0	0	0	0	0	0	0	1085	0	955	16343	0	16988	1099	0	0	26773	7383	10445	3479	4807	4709	0	805	3018	0	0	0	3300	4906	6806	17149	18675	2553	1507	0	0	1957	12601	0	4366	25516	Phytochemical	0.6	0.53333336	0.0
26	C15 H8 O9	333.0241	333.0245	0.3570614	333.02423	3465	2590	3975	4143	15295	7434	2241	0	11067	0	0	0	24812	9002	0	0	0	20650	16743	0	0	0	5156	0	0	0	3109	0	0	0	4092	0	0	0	0	0	1523	2756	0	0	0	0	0	0	0	0	0	0	0	0	2860	3319	6777	0	10243	6304	3412	0	0	0	0	0	26641	13456	3212	18516	2684	0	0	0	0	0	0	0	0	0	0	0	15791	0	15905	0	0	0	19812	6810	11096	4278	3496	2020	0	0	0	0	0	0	6142	0	4926	9793	13372	0	0	0	0	0	7429	0	0	23741	Phytochemical	0.6	0.53333336	0.0
18	C16 H12 O6 S1	333.04272	333.04337	0.4507565	333.04288	2473	4431	1883	0	2462	2219	1079	0	1905	5937	4965	0	2903	1380	0	0	0	4946	5070	4587	0	15288	0	0	0	6107	0	4448	0	0	0	0	0	0	11140	0	0	0	0	4117	9357	0	295	0	0	2687	3443	0	0	0	0	1578	3827	0	2445	1498	0	2134	0	1810	0	4087	1758	2512	0	5262	1932	0	8350	3490	9836	0	0	0	0	0	0	0	0	14413	0	0	0	5758	3910	1286	1771	0	1861	0	0	6204	0	19167	22952	0	2317	1793	2438	3505	4318	0	0	2314	1376	0	1882	0	0	3530	Organosulfur	0.375	0.75	0.0
8	C13 H16 O10	333.08163	333.08224	0.35968286	333.08176	3465	2247	2205	2720	11370	5314	940	0	13695	0	2630	1245	28768	4799	1182	0	0	14960	14380	1115	0	0	1619	0	0	0	800	0	0	0	0	0	2650	1299	1827	1080	2834	0	0	0	1730	6082	0	0	0	0	0	0	0	0	3473	4399	5673	0	15308	17088	3351	0	0	1251	0	0	29332	15976	2476	16758	3736	1727	0	0	0	1014	0	0	2475	0	0	0	0	0	1884	0	0	0	11670	0	1733	4958	5352	0	0	0	2251	0	0	0	4318	4681	8543	17473	16127	2523	1668	0	0	1323	12027	0	0	28267	Phytochemical	0.7692308	1.2307693	0.0
12	C13 H16 O10	333.08163	333.08224	0.42268336	333.08176	0	3117	2799	3043	14211	8370	0	1655	19316	0	0	1782	23801	5595	1005	0	0	14174	15854	0	2760	0	2443	0	0	0	0	0	0	1006	0	0	1937	0	1819	1217	2845	0	0	0	0	6190	0	0	0	0	0	0	0	0	2715	0	9288	0	25832	13097	3928	0	0	0	0	0	39922	21363	4343	13408	5637	0	0	0	0	1652	0	0	0	0	0	1782	0	0	0	0	0	0	8363	3027	0	3703	5289	0	0	0	0	0	0	0	2070	0	8329	11588	12256	0	1786	0	0	2626	11100	0	0	40016	Phytochemical	0.7692308	1.2307693	0.0
10	C13 H16 O10	333.08163	333.0822	0.39110103	333.08176	2831	2340	4789	2831	14942	6407	0	0	24340	1139	2015	1523	40234	4705	0	0	1202	20421	21211	0	3232	2599	1499	0	0	0	0	0	1174	0	0	0	3680	0	0	0	2556	1556	0	0	0	8520	0	0	0	0	0	0	1764	0	4799	5703	12207	0	31750	20684	4060	1411	0	0	0	0	34738	27668	5642	17815	8613	0	0	0	0	1079	0	0	1448	0	0	1860	2521	0	1316	0	0	0	14545	3973	1003	6353	7004	0	0	0	0	0	0	0	1766	5106	9127	17054	13093	2272	1977	0	0	1147	12063	0	792	45303	Phytochemical	0.7692308	1.2307693	0.0
22	C21 H16 O4	333.11212	333.11267	0.30301285	333.11224	0	1350	4023	0	1361	2081	0	0	2299	2413	12192	1170	2693	0	0	1373	1596	3056	3895	3256	6481	3771	1537	1690	1612	28245	0	11437	0	1026	1171	0	1316	0	5877	0	2460	1187	2675	4130	8001	2460	0	0	345	2306	7051	0	0	1431	1619	3694	3791	286	1423	1781	2703	1735	0	2477	0	3691	0	1305	2566	3122	4733	1396	23354	13889	32671	1217	1217	0	1030	0	0	0	1613	4788	2025	3010	1900	3688	3366	3627	2621	2694	2063	2173	2297	0	0	4226	0	0	2264	2235	4196	0	3419	2726	1625	2440	3195	0	1910	0	1313	0	Phytochemical	0.1904762	0.7619048	0.0
20	C21 H16 O4	333.11212	333.11264	0.3868235	333.11227	2131	2138	1960	2226	2964	0	0	1685	2131	5215	4550	0	0	2120	0	3309	1281	2333	4048	2955	5117	1560	0	0	0	18241	1175	5978	0	0	1507	0	0	0	4158	0	0	1636	2733	0	7382	1321	0	0	0	2860	1790	0	0	0	5290	0	2051	0	0	1572	1401	0	985	1739	0	3235	0	1325	0	2260	4171	3149	19413	14929	21025	0	0	0	0	2135	0	0	1623	2865	0	1949	1300	0	2585	1801	3303	2677	1485	3479	0	2733	3390	2854	3558	0	2314	1673	2447	1544	1934	0	1713	2299	1916	0	2173	0	1490	1701	Phytochemical	0.1904762	0.7619048	0.0
16	C13 H20 O8 N2	333.12924	333.1297	0.30152225	333.12933	0	0	0	0	3999	4225	3594	0	3768	0	0	3407	6007	6247	2760	9234	3428	0	0	2512	0	1769	1998	0	3895	8091	10126	0	3157	0	2051	0	8979	5517	0	8109	4679	959	4724	0	2594	4837	1743	419	0	1388	0	0	3879	3171	0	5017	7117	555	0	3335	3878	5225	9002	4183	0	0	0	0	4454	3335	5513	7696	0	0	0	7312	2708	0	52926	3427	0	0	0	0	1873	1751	0	0	1420	3233	2096	3851	5256	0	8624	5279	0	2573	4083	701	4619	3492	0	0	2045	4494	2590	0	0	0	8697	574	6645	3871	A-Sugar	0.61538464	1.5384616	0.15384616
18	C13 H20 O8 N2	333.12924	333.12964	0.72823316	333.1295	4343	3374	4519	3910	6060	6283	5984	3232	0	0	4046	4368	3534	4034	4718	8311	3555	4677	1971	7187	3387	0	4359	7810	3745	5723	7227	3915	5174	3812	0	7548	4162	0	3430	3675	6658	4657	5896	6032	2348	0	1703	659	535	0	3060	524	5117	3868	4490	4935	1988	0	6175	3204	1861	3416	8064	6495	0	2371	2984	6815	4085	0	8651	6519	6096	0	0	1777	4761	3018	33126	0	0	4345	3783	4995	0	2842	4803	2145	3625	5524	4610	3571	4594	0	3612	4525	3048	4846	7166	659	4891	3580	5859	5234	3831	4074	4914	4510	0	4164	7367	620	4164	8286	A-Sugar	0.61538464	1.5384616	0.15384616
10	C17 H20 O5 N2	333.1445	333.14505	0.20875311	333.14456	278196	260662	252416	238240	133383	122902	236505	281956	122306	327780	197687	167193	127106	80652	195839	310633	228425	166938	216005	385909	406198	383577	198323	343705	216331	278276	243987	174725	251522	232245	226591	273124	356495	251698	387698	224529	341194	199314	295310	378933	415386	128109	2384	543	577	278307	296275	592	291177	236939	281516	265297	149765	372	158076	83959	95569	334452	163896	220752	300842	199077	121407	127876	89960	155655	138548	314263	260083	436455	423521	246754	208748	201160	212123	221299	913	166141	253976	179344	231502	171001	187542	207241	113669	110970	267352	167359	154017	370160	263881	233256	475751	226778	366362	1521	260297	259217	96776	97709	110694	300430	162824	298575	150077	284797	100614	583	253118	152239	Phytochemical	0.29411766	1.1764706	0.11764706
12	C15 H24 O8	333.1544	333.15488	0.31869006	333.1545	7158	0	8320	9332	8288	12216	7460	15290	10204	0	0	6988	12368	9774	16740	9566	0	13638	13374	0	5015	0	10908	0	12824	0	8844	0	28806	14244	18618	17004	25392	14922	7376	21976	19264	13546	2080	2249	0	9296	0	1040	0	0	0	910	13648	13014	8716	8718	8702	0	25990	9886	5574	10238	0	0	0	0	11150	9510	8838	12512	13142	0	0	0	1243	15182	23350	23766	8268	11462	0	12880	8390	0	9342	7043	13128	2678	10062	10222	7566	0	13014	0	0	12938	12101	0	0	1158	6012	0	7982	10060	17902	12374	10888	0	0	9836	14162	1124	10821	19514	Lipid	0.53333336	1.6	0.0
10	C15 H24 O8	333.1544	333.15494	0.232238	333.15448	0	4045	7099	4381	3172	4185	5115	7384	5579	0	0	4730	6684	0	4510	10910	3565	5824	5155	3303	2728	0	5427	6372	8100	0	3169	0	12504	10055	6601	10018	10674	7613	1867	11517	9568	8533	6900	2485	3635	5790	0	0	0	0	3141	0	11265	6304	6747	4282	6706	0	9055	4372	1750	9333	5977	3272	0	0	3076	3684	3425	2622	5579	5646	0	0	0	7523	9545	10371	5821	6247	0	5235	16506	0	6604	1997	4491	1836	4775	4255	14523	4141	7086	30551	0	4699	20969	0	2145	0	5037	8014	2917	5785	7325	9488	6167	11300	0	8804	3077	0	11720	5401	Lipid	0.53333336	1.6	0.0
2	C16 H20 O4 N4	333.15573	333.15643	0.24747019	333.15582	5098	5558	3755	5802	2396	0	4290	6249	2971	4092	2959	4356	2074	2221	5882	2078	6569	3944	4042	4303	0	6615	5990	6120	3579	1895	0	9551	4381	2589	5487	4843	7224	3475	6640	3979	5110	5287	7260	6379	7327	0	0	0	0	3441	4178	0	4030	4026	5513	6282	3221	0	2484	1159	1834	5004	1438	2827	1893	2806	2603	1939	0	2483	3542	8760	2340	3987	4778	3771	3979	3279	1822	3658	0	3463	6374	23619	4238	2420	2362	3784	1597	2206	0	3340	2918	18058	10262	0	14783	4901	1377	0	5294	5171	1515	1097	1185	4601	3788	0	2779	7956	1966	0	6187	3308	Peptide	0.25	1.25	0.25
0	C14 H24 O7 N2	333.16562	333.1663	0.09497346	333.16565	6758	4474	5873	7282	8437	22966	1819	11775	14558	1467	0	4371	11906	5158	4230	0	3520	14746	8873	3270	4712	5782	5703	7668	6352	0	0	1868	17269	5167	10677	10979	21174	18389	5185	8266	13034	3879	5789	2132	0	8724	0	0	0	3069	0	0	15553	5011	5792	5728	9304	0	8552	3860	2026	14868	2923	805	5902	0	12025	7978	4313	13118	15193	7453	0	0	0	14135	18284	7620	0	9677	0	5761	2825	1353	2708	561	0	0	2885	3307	3054	9361	10007	3898	11343	6308	14278	0	0	0	6925	7884	4381	3055	3444	8988	4773	3190	0	11678	5302	0	2471	25247	Peptide	0.5	1.7142857	0.14285715
16	C14 H24 O7 N2	333.16562	333.16623	0.68392664	333.16586	5342	0	5731	4908	0	0	1232	0	0	11430	81935	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1457615	0	0	0	0	1838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4588	6343	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1185	0	15767	0	0	0	0	0	0	0	0	0	0	70955	131130	0	7370	3555	0	5331	4716	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.7142857	0.14285715
18	C14 H24 O7 N2	333.16562	333.16635	0.8458797	333.16592	1994	3056	0	0	0	0	0	0	0	6344	15907	0	0	0	0	0	0	0	0	0	3331	0	0	0	0	3979	3047	214043	0	0	1628	0	0	0	0	0	0	0	3079	1428	0	0	1066	0	0	0	2180	0	0	0	0	0	1894	0	0	0	0	1329	0	0	2644	0	0	0	0	0	1338	0	7222	0	6952	0	1571	0	11633	0	0	1935	1802	4945	0	1270	2179	1884	1736	0	0	0	2722	0	25890	55572	0	1521	1714	0	2034	0	0	0	0	0	1772	0	1732	0	0	0	2223	2079	Peptide	0.5	1.7142857	0.14285715
12	C14 H24 O7 N2	333.16562	333.16623	0.39961123	333.16577	0	2885	4799	2346	1556	999	0	2523	1531	0	0	1512	0	0	0	2105	0	2130	2261	0	0	0	1882	0	0	0	0	0	3049	2075	2742	3028	0	0	0	1985	0	1712	0	0	0	1613	0	0	0	0	0	0	4136	2468	2791	0	1221	0	1542	1110	0	3203	0	0	0	0	0	1248	0	2679	1251	0	0	0	0	1659	1304	2483	0	2181	0	1385	1504	0	1102	0	0	0	1337	0	2167	1878	0	0	21345	10883	5646	0	0	0	2258	2438	0	0	865	3306	1587	0	0	2179	1428	0	2011	0	Peptide	0.5	1.7142857	0.14285715
16	C23 H24 S1	333.16714	333.1677	0.4083306	333.1673	5342	0	5731	4908	0	2320	2275	0	0	11430	81935	0	2124	0	1862	0	0	0	0	1907	0	0	0	0	1401	0	1250	1457615	0	0	0	0	1838	0	0	0	0	0	0	0	0	0	421	0	0	0	0	0	0	0	4588	6343	0	0	0	0	913	1685	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5782	0	0	1185	0	15767	0	0	0	0	0	0	0	0	0	0	70955	131130	0	7370	5863	0	5331	4716	3351	0	0	0	0	0	0	0	2209	0	1227	0	Organosulfur	0.0	1.0434783	0.0
2	C13 H24 O6 N4	333.17685	333.17758	0.29953852	333.17697	685	1255	921	1151	0	0	0	635	367	0	1569	520	848	0	845	414	1626	773	603	0	0	583	619	983	584	0	0	13408	1033	426	390	873	1912	0	525	0	832	506	2013	0	0	0	0	0	0	0	0	0	0	0	3020	1124	637	0	295	0	0	1092	0	0	0	0	391	295	0	737	539	1437	0	0	0	0	714	628	0	605	0	0	724	39187	482	0	0	0	0	274	1021	714	618	2768	12991	8220	1511	2854	0	0	1546	766	789	0	0	553	0	254	0	1502	0	0	0	0	Peptide	0.46153846	1.8461539	0.30769232
0	C13 H24 O6 N4	333.17685	333.1775	0.15420584	333.1769	1865	0	1738	0	1371	20604	0	2109	951	0	0	0	0	0	0	0	886	3693	1885	0	0	0	0	0	0	0	0	7814	2943	0	2097	1615	7018	0	0	0	1625	870	781	0	0	0	0	0	0	0	0	0	0	0	0	0	2329	0	959	377	0	1711	0	0	0	0	0	0	0	1890	2898	1178	0	0	0	1852	2080	0	0	0	0	0	0	24607	0	0	0	0	0	0	760	1693	2166	1143	18254	7808	0	3210	0	0	0	0	355	0	0	1836	0	0	0	1791	0	0	0	2878	Peptide	0.46153846	1.8461539	0.30769232
14	C18 H24 O4 N2	333.18088	333.1814	0.18006481	333.18094	40214	44858	44633	41214	15767	16573	32571	43495	13290	55160	40410	31489	6951	11710	24928	56433	52118	18256	26108	68356	83023	51810	29655	57936	33073	59442	32402	44988	43041	41822	38593	43357	57494	43954	59708	48307	49844	26726	48302	72822	75119	23697	0	0	0	49709	53644	0	42854	39710	42408	46421	21242	0	13326	6729	13469	59237	22243	42743	39842	34569	11518	13670	11862	17170	20335	56805	35531	71332	81518	42711	38326	39713	48135	45803	0	27906	31376	35292	31137	27096	35267	51331	9729	9227	35990	32329	29170	75431	72266	52576	79051	43825	81195	0	41917	40623	9348	9890	7351	63370	28768	57296	0	45994	11670	0	35180	11926	Lipid	0.22222222	1.3333334	0.11111111
10	C18 H24 O4 N2	333.18088	333.18143	0.19355959	333.18094	62402	59075	56309	44695	24267	25177	41111	81111	20273	81749	46238	34621	21729	20995	45430	66356	46155	24141	43404	120042	108547	71675	43153	90094	57540	77689	42287	54424	60575	53961	62965	73643	82777	63223	104565	58250	84226	38364	46174	83926	63757	25854	0	0	0	60238	55902	0	79259	58616	56056	57582	30486	0	18823	10677	16365	73099	8816	24251	79421	33290	12524	15792	18559	24215	29607	58438	61474	116672	111961	66303	49831	56088	48437	56191	0	38639	40735	47748	37808	20242	16196	49200	10162	12648	38128	34197	28051	76621	78355	39284	109513	43972	91054	0	56357	55861	14374	10934	11782	69631	34188	60976	19580	61984	12808	0	49096	33150	Lipid	0.22222222	1.3333334	0.11111111
18	C18 H24 O4 N2	333.18088	333.18134	0.11778465	333.1809	25218	25903	25183	23589	11557	15043	17074	27140	4479	32798	28454	13114	12234	9336	13684	29807	25123	17477	17528	41126	43041	36129	16145	31293	19449	32429	19338	28460	20881	17943	22445	32215	35242	23433	28786	25490	34239	10850	27672	36503	47611	13676	502	0	0	26523	26938	0	34508	26135	21386	29110	13542	276	6499	6017	10088	35416	13602	22203	33375	25102	7071	7553	8086	14643	17019	26793	25640	35073	33191	25014	18808	25949	23405	24134	0	16586	14985	31633	16273	20271	16679	29540	7069	7639	22346	22958	15468	38330	34849	43950	50961	22044	41129	0	26044	20597	8950	7443	5036	31936	14144	31361	12015	30420	8190	0	20764	9088	Lipid	0.22222222	1.3333334	0.11111111
20	C18 H24 O4 N2	333.18088	333.18134	0.16011599	333.18094	11329	10590	8580	9510	5752	5223	5520	13586	2496	7297	9468	6064	3037	4596	8942	10942	13002	3960	7216	15607	13487	8305	6397	14127	8573	9029	5992	14066	9434	6884	8860	10119	13811	11324	11706	10679	18674	8478	13398	13132	19663	7654	0	0	0	9294	5513	0	12081	7290	9426	10744	7260	0	4407	3875	7806	36037	3912	8115	14029	8028	4870	2515	5187	6342	4707	10642	9071	15665	13230	11330	8025	6615	7397	9442	0	6562	8604	11118	9062	9114	6003	8435	1596	3825	9930	8586	9052	18622	19006	18436	19532	8075	11783	0	10647	11330	4647	2745	3336	15493	5251	13462	4829	11540	2516	0	7500	7173	Lipid	0.22222222	1.3333334	0.11111111
16	C18 H24 O4 N2	333.18088	333.18137	0.15171432	333.18094	36393	40887	40178	35939	23206	24389	34653	44547	10799	55342	36399	25566	11629	12553	28702	49673	45765	21928	24455	76458	59726	65409	27485	56988	33858	42422	32387	36029	45614	43213	47922	57018	62907	39123	55620	50586	70011	25130	52091	68609	68106	25967	0	0	0	46838	34033	0	61382	39707	44811	41585	23351	0	12181	7640	13682	55865	28325	37414	42040	37181	8486	10858	10542	19787	24910	51475	36861	70143	85445	44152	45745	41169	38696	45680	0	32266	33570	35147	23639	28889	35021	46795	7414	13791	31823	31115	30247	89709	65839	62525	89034	38499	60523	0	38964	38188	9621	5888	9281	63252	25779	32553	19648	54328	11415	0	40397	16373	Lipid	0.22222222	1.3333334	0.11111111
2	C17 H24 O3 N4	333.1921	333.19275	0.27523366	333.1922	1045	1032	660	859	0	0	677	1484	414	1023	0	1546	0	0	1256	1001	1541	0	0	883	1505	1135	927	2450	970	0	0	9299	1442	1196	739	1765	1856	1239	717	1563	1330	1245	2232	954	1022	0	0	0	0	542	662	0	1412	1020	1926	979	431	0	0	0	0	1577	0	0	1131	382	0	0	0	0	0	4016	0	296	501	888	1037	1481	1476	923	0	768	1348	46626	1382	0	545	905	0	0	1242	586	712	3666	10301	2345	3749	1738	0	0	1765	1240	0	0	0	1363	595	1099	419	792	0	0	1481	0	Peptide	0.1764706	1.4117647	0.23529412
4	C15 H28 O6 N2	333.20203	333.2027	0.3247106	333.20212	2474	1874	3860	1954	2760	2825	1960	3177	1794	0	0	1311	6941	949	2455	3132	2938	5299	3194	0	0	2499	1912	2958	2412	0	1336	0	4567	2095	3009	2108	2990	3210	0	2936	4419	1648	3907	0	0	1717	0	0	0	0	0	0	3591	1655	2341	1870	2983	0	2307	663	2062	2913	720	0	3836	0	4463	1715	0	6293	3025	2121	0	0	0	2175	2325	1910	0	1113	0	1451	2087	0	715	0	0	0	1120	1363	2402	2369	3500	10802	10009	9108	20566	0	0	0	2689	2382	874	677	1154	3006	815	0	0	3083	1141	0	1798	5149	Peptide	0.4	1.8666667	0.13333334
12	C20 H28 O4	333.20602	333.20657	0.22907206	333.20612	23401	27737	24527	27264	8214	7783	29948	25407	8819	7864	9677	13912	5544	8040	14634	41289	35082	5602	10127	9649	3414	24454	13940	30129	19887	8534	44748	0	12932	24064	14558	20020	14752	11513	6553	23741	16321	19180	47532	5244	7540	9363	2094	2233	1950	10798	11794	3379	21368	29533	26937	28085	7794	1491	12071	11087	11029	37309	10932	14436	21248	4248	8361	6691	7866	2741	7073	36694	0	10020	10643	9446	11257	20472	49387	29284	1624	13479	23226	0	21825	12636	17204	5126	12637	8013	24081	5192	7047	43334	18475	20678	39381	5435	21984	2443	21383	30257	11485	19234	24135	33770	15341	19445	0	20275	12415	1864	25349	5597	Lipid	0.2	1.4	0.0
6	C19 H28 O3 N2	333.21725	333.2179	0.26601976	333.21735	7391	4625	6816	5210	886	1196	5451	8903	1148	9056	4467	3895	704	1332	4089	10568	5264	921	2169	12770	13362	7976	3774	11271	5829	6673	5866	2684	5299	5893	6955	7100	6327	6825	13920	6806	7231	3413	6887	27115	47048	1490	0	0	0	5182	4363	0	9490	5314	7058	6624	1730	0	0	1138	1028	10565	0	0	11698	15379	0	0	953	1240	2268	7670	4910	8048	7017	6956	4597	5921	4295	5382	0	4148	4628	4873	3077	458	385	35270	0	0	5574	1438	1683	22691	6327	0	22651	10315	17019	0	6813	6673	0	0	0	7646	3213	5182	0	8711	0	0	4286	0	Lipid	0.15789473	1.4736842	0.10526316
8	C19 H28 O3 N2	333.21725	333.2179	0.30200547	333.21738	4683	4207	5196	7065	1821	1240	2270	8625	1109	7345	4494	5087	0	0	4831	12596	4076	1164	1946	10951	10725	3676	5048	15445	7384	4383	4809	2603	6692	6752	5134	6296	6172	4032	10991	5462	5688	4555	5560	9858	2694	1783	0	0	0	5106	4391	0	5289	4840	6485	6902	1548	0	1354	0	1153	11149	0	0	7758	2295	0	728	0	1077	1926	9467	0	9965	6096	6629	4591	3896	5813	6494	0	5717	4272	2793	4478	0	0	5637	0	0	6268	1877	2877	33357	0	0	30475	4973	12597	0	4871	5792	0	589	0	7015	4010	3875	0	10424	0	0	5994	0	Lipid	0.15789473	1.4736842	0.10526316
10	C19 H28 O3 N2	333.21725	333.2178	0.19505334	333.21735	2989	2137	4177	3464	814	4058	2399	5002	0	5816	2490	3530	1367	1484	3563	12265	4725	3132	6045	7451	9774	3611	3363	7602	5971	4520	2368	4092	6001	2870	5228	7038	4728	4506	11431	5357	6947	3718	3369	5838	2041	2312	0	0	0	3890	3882	0	8581	3804	4313	3043	1995	0	0	0	1335	9054	0	0	0	1518	0	0	1024	1519	1899	7943	0	8131	6725	3680	3821	4525	3565	3845	0	4946	2067	0	3528	0	0	4143	0	689	3452	3104	4328	20296	7970	0	16968	4080	10659	0	3935	2032	0	0	0	4946	3025	0	0	6365	0	0	4539	0	Lipid	0.15789473	1.4736842	0.10526316
2	C16 H32 O5 N2	333.2384	333.2392	0.20270653	333.23846	0	0	0	0	0	0	0	0	0	0	0	0	0	0	424	465	0	730	0	0	0	0	0	674	244	0	0	0	0	0	501	0	0	1024	0	0	0	376	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	288	0	0	0	0	0	392	0	0	0	0	380	0	0	0	0	0	1144	0	0	0	0	0	0	0	28854	0	0	0	0	0	281	0	0	0	0	2386	0	0	4447	3045	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3125	2.0	0.125
22	C21 H32 O3	333.24243	333.2429	0.209642	333.2425	59022	56385	54341	55085	33308	22416	240756	51934	24657	32722	38380	39572	20785	59690	54664	78749	124615	26640	42178	26340	28095	39613	31486	38175	76396	78186	242845	53493	63668	62676	45325	66810	51869	42784	25111	81240	48585	48253	134075	21225	50863	39213	4500	0	435	21359	31399	0	58044	50621	52686	55499	42070	860	29898	29125	40076	77601	24457	53630	72740	18295	40996	22274	61564	48686	65422	136525	36111	39246	64143	25293	37492	71143	114830	68538	299	31848	58168	66165	38148	31208	134081	120124	35468	42615	118705	34279	41878	171040	84289	74292	70438	26851	34218	0	46362	61344	28104	40939	49230	68366	40358	40330	26754	47920	32181	0	66066	23909	Lipid	0.14285715	1.5238096	0.0
20	C21 H32 O3	333.24243	333.2429	0.27896497	333.24252	12306	9260	14855	12454	4563	3433	48138	9143	6344	2297	4521	8280	4802	11167	10847	21789	43530	2687	6547	2458	0	4689	5417	6367	15562	9260	48706	10010	13117	18993	10348	17265	7684	8298	3881	19044	9729	10916	41473	1590	6620	6131	616	0	0	1847	3322	0	13057	12375	13244	7020	6701	0	4385	5850	7144	20288	3736	8978	13687	1186	6720	3442	14479	5009	15688	43616	4542	0	7736	9268	12415	20349	39641	15733	0	5182	16449	14429	7531	4277	35393	39642	7627	9338	29283	5704	8939	75953	13909	11227	13773	4276	2481	0	10941	12439	6768	8270	16683	11630	3959	3380	5035	10278	6496	0	18289	2251	Lipid	0.14285715	1.5238096	0.0
12	C20 H32 O2 N2	333.25366	333.25415	-0.09170844	333.25363	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7239	0	0	0	0	0	0	0	4736	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3885	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25538	0	0	11515	0	0	0	0	0	0	0	0	0	0	0	0	3373	0	0	0	0	Lipid	0.1	1.6	0.1
22	C18 H36 O5	333.26355	333.26382	-0.051868513	333.26352	1846	2101	2486	1720	0	0	0	0	0	0	1249	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6858	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1940	1733	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	343757	0	0	0	0	0	0	0	0	0	0	43734	22234	0	21559	3980	0	1428	2932	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2777778	2.0	0.0
24	C22 H36 O2	333.2788	333.2792	0.269357	333.2789	4448	3840	3926	3921	0	0	79736	1880	0	0	4098	1712	0	15869	1586	2958	7704	0	0	0	1892	0	0	0	2931	6799	74028	13382	2936	2211	2910	6602	2378	3820	0	5082	1737	2635	9672	0	4166	1934	0	0	0	0	2247	0	2149	1417	5412	3514	2061	0	0	1919	2903	2760	1347	5987	6573	1114	4972	0	17152	2399	5650	7490	3832	0	2046	0	1193	2400	6045	2349	0	872	4513	9011	1866	4777	9929	9834	1355	0	17589	1281	1850	17603	7789	4150	2240	1129	0	0	4729	2652	3957	0	0	1554	1274	2589	2471	0	0	0	2174	0	Lipid	0.09090909	1.6363636	0.0
26	C23 H40 O1	333.3152	333.31537	0.11735206	333.31525	0	0	0	0	0	0	21199	0	0	0	5082	0	0	5277	0	0	0	0	0	0	0	0	0	0	0	4583	29102	2893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7973	0	0	0	5303	0	0	0	0	0	0	0	0	0	0	6116	0	0	0	2908	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.04347826	1.7391304	0.0
18	C15 H11 O8 N1	334.05576	334.0562	0.29689994	334.05585	13232	11958	5729	8402	15527	13298	3122	1854	13550	9060	5680	5127	30294	7968	3540	5826	4813	29409	31854	0	6847	24003	9526	4643	2177	0	2692	1501	3462	1679	4774	0	8644	0	9625	0	8793	4309	5108	5412	15472	7489	987	404	527	2074	5392	715	4456	1415	6214	8191	15831	0	20469	10762	7535	3927	1338	3876	6201	5107	30667	25040	7732	28272	9877	6820	1618	1586	3971	1525	0	0	4741	0	367	2536	12235	23142	7442	2954	0	1955	18474	6269	9057	13906	13320	19761	6188	3370	8644	24800	29061	445	9390	5307	10148	23961	9153	7937	1843	3653	2198	8109	11132	572	3721	38272	Phytochemical	0.53333336	0.73333335	0.06666667
10	C15 H11 O8 N1	334.05576	334.05643	0.38111264	334.05588	2548	4074	3142	4818	12347	4549	858	0	16172	5611	3491	1185	23101	2037	1187	1786	2568	13913	10951	0	6284	13663	2226	1667	0	0	0	0	0	1219	0	0	2888	885	11378	0	3163	1064	2609	2738	6524	4340	0	0	0	0	3104	0	1656	1023	4245	2802	7132	0	16427	13634	5097	2121	0	2346	0	1785	29847	16816	3865	18024	4507	3376	0	0	1496	0	1026	0	1191	0	0	1843	2438	0	3940	0	0	0	12571	2683	3912	8349	6429	3435	0	0	5388	14581	8272	0	5358	3087	7081	17664	13657	2307	1461	0	0	3086	5472	0	0	23857	Phytochemical	0.53333336	0.73333335	0.06666667
20	C15 H11 O8 N1	334.05576	334.05627	0.35451975	334.05585	7504	3615	5933	6165	10177	8786	4224	1944	6557	4704	2108	2392	19960	6268	3952	3944	2663	22146	12346	0	3730	18071	3244	5295	3323	0	2369	0	2773	1805	0	0	4750	2156	8532	0	10831	2568	2105	4844	11529	5241	1316	0	505	3520	5799	919	1628	0	7518	5748	9123	306	8090	6943	3939	2219	1227	4247	1359	2705	19410	11290	4251	12344	5741	2469	0	0	2191	2576	2408	0	2092	1368	445	2519	9602	10300	7295	1932	2079	0	10200	3720	11083	7166	5902	10714	0	4846	10464	23356	14937	629	7096	4138	6046	8565	8524	6551	2129	1373	2323	6798	4160	0	1343	27620	Phytochemical	0.53333336	0.73333335	0.06666667
24	C16 H15 O7 N1	334.09213	334.09253	0.256948	334.09222	2956	5006	3798	5412	5450	5134	1568	1935	6411	11094	3439	2442	8117	3124	2294	3048	3102	6397	7558	3703	5832	14177	5402	4666	0	0	0	1407	1496	1572	2398	2761	4108	2996	10819	0	3509	2322	1873	5627	12167	4554	0	0	0	2175	6372	0	2146	1701	4366	5586	4514	0	5668	5501	3474	4767	2078	3392	2515	6704	10828	8782	1713	7303	3999	4185	0	2116	4960	2828	0	2094	0	2823	0	1721	3140	12654	5011	4062	1858	3415	6443	3526	5741	4305	3616	4446	4427	3781	5500	16358	24482	0	2630	6759	2439	3188	3790	3371	1594	2529	0	3457	3011	0	2054	11380	Phytochemical	0.4375	0.9375	0.0625
8	C8 H20 O4 N7 S1 Na1	334.1268	334.12686	-0.12941864	334.12674	1196	0	0	1166	1490	722	0	0	846	0	0	1355	910	0	0	1172	0	0	0	0	0	1627	0	0	758	0	805	0	0	0	0	0	0	0	0	823	0	0	1083	0	0	0	0	0	0	0	0	0	1802	1135	1369	0	0	0	0	515	823	0	2036	853	0	0	0	0	0	0	0	1224	0	0	0	1156	947	0	20174	0	0	756	0	0	0	987	1778	0	0	0	963	0	0	0	0	0	0	0	0	0	1093	0	0	696	0	0	0	0	0	0	0	0	1042	1447	Organosulfur	0.5	2.5	0.875
6	C14 H23 O8 N1	334.14966	334.15024	0.17158173	334.1497	37371	42196	35272	33263	28435	31528	29277	67086	44028	14039	11562	35010	66702	17106	47868	61405	41741	69543	70789	21546	27578	30556	46532	66658	22675	0	22660	12387	59821	60688	47166	55060	58641	85611	20776	63245	56430	37979	43213	8715	10662	42960	1715	0	0	29745	27173	0	57682	59888	39758	37098	32645	354	74865	49389	23519	44535	33996	24111	69759	7553	47068	39358	21629	50211	36769	44209	6349	5129	6487	90689	79092	75494	24166	46456	0	34330	33551	7261	29582	15664	20152	5951	52087	37264	34571	39092	37804	38005	19158	26451	61855	11507	13305	0	33949	57175	26015	41506	64406	67297	30819	42687	17524	43028	51715	0	19927	65210	Lipid	0.5714286	1.6428572	0.071428575
14	C23 H20 N1 Na1	334.15662	334.15738	0.66981816	334.15683	3779	2625	3675	5864	0	0	0	7397	0	0	0	0	0	0	0	18020	3928	0	0	0	1661	0	0	0	12094	0	0	0	8694	1443	1848	15609	76482	17651	0	16599	72860	0	0	0	0	5823	0	0	0	0	0	0	45578	4154	3111	0	0	0	0	0	0	6104	0	0	0	0	0	0	0	0	3179	90278	0	0	2009	1346	0	0	293096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3079	4238	0	0	0	80807	0	0	0	0	0	0	0	0	Phytochemical	0.0	0.8695652	0.04347826
0	C13 H23 O7 N3	334.1609	334.16165	0.22348598	334.16095	10932	10475	11697	11964	19611	69523	1778	14928	5864	2407	2623	5202	24473	12488	2781	0	3164	31502	14671	1839	3178	7923	4457	12257	4367	0	0	8667	26530	5962	15647	17494	44391	89827	5229	14959	22453	2447	3216	0	0	29632	0	0	0	4233	0	0	18243	5824	11174	9373	15142	0	5985	1616	0	16675	678	0	7446	0	11847	7971	1263	23813	29484	3435	0	0	0	76840	76337	14068	0	16493	0	6856	1783	29788	1723	0	0	0	2155	1690	2348	41809	23187	4226	55401	17038	12468	5300	0	0	11266	10906	1797	1867	1485	12209	2847	2579	0	21693	2314	0	1600	37601	Peptide	0.53846157	1.7692307	0.23076923
4	C13 H23 O7 N3	334.1609	334.1617	0.6000721	334.16107	0	1756	758	848	567	0	0	0	864	0	0	0	743	0	0	1114	1502	712	524	0	0	861	1083	1256	0	0	0	0	0	741	1015	0	0	0	0	0	873	777	2040	0	0	0	0	0	0	0	0	0	0	976	1187	0	0	0	809	599	587	1045	542	0	941	0	735	625	0	572	661	1316	0	0	0	0	1068	905	0	0	0	611	673	21223	718	0	0	0	653	340	846	596	0	1674	5506	1843	0	4600	0	0	1123	995	551	483	856	0	0	0	0	669	939	0	0	905	Peptide	0.53846157	1.7692307	0.23076923
10	C17 H23 O4 N3	334.17615	334.1767	0.23767057	334.1762	31254	26894	29447	25840	8754	12909	22508	30778	5224	19454	16000	20401	5669	8647	24361	30877	35296	12501	14026	29395	29314	37309	20713	43579	29429	12607	23577	20142	29547	26748	27549	32007	37507	24930	21842	29306	37350	18643	43518	32705	32380	12926	0	0	0	32676	27517	0	31201	26703	30144	30124	12084	0	7713	2612	9737	31216	17973	25701	30819	14685	5673	8629	9337	9588	13164	51536	10549	19413	15358	30841	27440	28074	25640	28938	0	19302	28784	106568	25934	17199	21026	20064	7041	7632	30894	16802	13441	56256	181792	62732	46362	33646	32384	0	30131	25728	4744	3068	3498	31390	17147	28150	16713	27799	5523	0	32817	7629	Peptide	0.23529412	1.3529412	0.1764706
4	C14 H27 O4 N3 S1	334.1795	334.17972	0.03647575	334.1795	0	968	562	0	0	5500	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6381	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35354	0	0	0	0	0	0	0	0	0	0	110146	42093	0	1571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.9285715	0.21428572
8	C14 H27 O4 N3 S1	334.1795	334.17957	-0.037915733	334.1795	0	0	2128	1845	0	4126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8012	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1367	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13285	0	0	0	0	0	0	0	0	0	0	216100	82760	0	2521	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.9285715	0.21428572
6	C14 H27 O4 N3 S1	334.1795	334.17975	-0.008668658	334.1795	867	1771	942	1164	0	7967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19980	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1217	751	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67790	0	0	0	0	0	0	0	0	0	0	151346	51126	0	4075	0	0	1462	1114	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.9285715	0.21428572
14	C15 H27 O7 N1	334.18604	334.18655	0.2781906	334.18613	12511	13825	11187	20458	16056	18668	52788	18220	20972	2752	3271	10376	35029	18610	26691	24720	22816	27962	25199	8198	7891	5715	21021	17182	23791	10412	30924	14573	28812	23258	13393	25649	34899	15364	3751	26912	29145	19639	18252	1688	0	17114	3494	0	338	6205	0	0	17863	14517	14910	13645	18455	641	37133	26539	11399	25306	10696	6763	21106	0	23984	20986	52304	26146	19816	11510	0	3709	1562	15571	11347	20960	14396	14624	393	15533	18201	0	13760	8780	64399	25399	26294	21841	27157	11493	14310	13821	11997	10306	26426	4311	3787	789	12214	20913	12498	27755	41318	40726	10335	7920	0	14964	23195	0	17245	16656	Lipid	0.46666667	1.8	0.06666667
4	C15 H27 O7 N1	334.18604	334.18665	0.20481412	334.1861	7434	7788	9746	6522	11348	7594	5722	7708	6522	0	0	3772	16678	24148	7798	7648	4830	10226	7850	6318	3642	8046	5280	8860	6148	0	6866	0	8304	6292	8754	6542	7974	7182	5870	8220	7570	5916	6932	0	0	5176	0	0	0	6654	0	0	0	6420	8388	9178	6162	0	11082	10138	3950	9878	7222	3046	7662	0	12872	7292	45470	12962	7030	7060	0	0	0	4660	4922	7908	0	5108	0	5196	4638	0	4386	5356	4042	0	10404	6554	8590	3942	7312	7534	31193	38808	19630	0	0	0	8140	6814	8128	7836	12434	7896	4224	7200	0	6936	9156	0	5360	13478	Lipid	0.46666667	1.8	0.06666667
6	C15 H27 O7 N1	334.18604	334.18668	0.31605273	334.18613	10974	9764	11316	6718	10300	6000	7728	14262	8056	1126	4544	7482	12624	18142	13326	16762	7784	10990	14886	7898	6682	11554	10852	13630	9316	0	7788	0	14270	14288	11612	13768	13398	8638	7518	15950	15048	7732	8568	0	0	8042	0	0	0	7810	5466	0	20206	10488	10076	11036	5068	0	13858	11944	5564	13166	6132	5344	20612	0	11730	8050	8226	10290	9336	6984	0	0	0	8430	13810	18778	7098	7768	0	9260	11008	0	6904	6300	7402	4692	15658	6342	9640	5436	5650	33891	38102	49420	24427	5522	8040	0	8716	9218	5688	14686	25334	19576	8564	7850	0	13051	11634	0	9700	16690	Lipid	0.46666667	1.8	0.06666667
18	C15 H27 O7 N1	334.18604	334.1865	0.26364738	334.18613	14164	13789	13928	12426	20526	13247	21941	11417	19924	3559	1969	5718	30831	20784	17117	8028	14368	37517	35556	7039	2916	3634	6960	7708	13633	0	11731	8657	20370	16407	11731	12830	27508	14558	9941	20963	20253	11760	11595	0	1641	17401	2202	447	502	3994	4314	409	18099	9612	11070	14058	20133	594	47182	25029	12313	13175	7024	1225	6484	5116	22124	20388	26631	27543	16913	15612	0	2007	0	8182	14838	18806	7233	13685	543	10920	6026	8439	6764	2710	22604	5917	14581	20124	12229	11168	12514	8723	89252	56246	4279	2531	2567	0	14347	16155	12895	12017	18469	21425	8754	11093	1731	6295	17729	568	9111	24858	Lipid	0.46666667	1.8	0.06666667
2	C15 H27 O7 N1	334.18604	334.1867	0.19420756	334.1861	8404	8681	5647	16628	8615	0	5322	8931	6612	2432	6694	5889	9912	19006	5357	5057	6103	8350	8110	3069	2662	5462	5479	6688	3733	0	3008	8472	10983	10294	9936	12000	9326	8766	3576	12127	10517	5367	7404	1734	1656	5615	0	0	0	2396	1929	0	10011	7205	9865	7074	6378	0	5827	6318	3974	8047	2722	1562	6701	1001	6578	4972	3640	9035	7426	8989	1773	1547	1766	10203	13618	18648	2987	11021	0	5237	4901	11642	3889	3054	1530	720	6576	4499	5161	4994	6252	7975	11067	20076	9756	7166	1662	0	18430	8593	5766	6473	7279	9228	5641	3661	2131	7779	6820	0	3475	12534	Lipid	0.46666667	1.8	0.06666667
0	C14 H27 O6 N3	334.19727	334.19797	0.21482866	334.19733	4099	3342	2936	2561	3633	7993	0	5882	4013	0	0	0	8323	0	3423	0	3018	12840	4852	0	1432	2898	4835	3532	3555	0	0	7467	8232	0	5748	2799	14012	4899	1915	5426	6821	3172	3627	0	0	3563	0	0	0	1551	0	0	4578	3167	2651	2064	6703	0	3798	2007	0	5876	955	0	1643	0	7326	3270	3147	9561	8102	5071	0	0	0	5129	7255	3351	0	3539	0	2944	2860	78538	2296	570	0	0	2643	2328	2373	3072	5950	3439	20970	16386	5307	15453	0	0	3222	4430	1378	1707	5387	3388	3351	0	0	6374	2256	0	2647	12862	Peptide	0.42857143	1.9285715	0.21428572
2	C14 H27 O6 N3	334.19727	334.19797	0.26512715	334.19736	7423	8053	6378	4445	2303	38053	1000	2471	1520	698	4687	933	3725	1059	1067	1481	1239	6265	1619	0	0	1429	1591	3846	851	0	0	63976	4066	710	1903	2062	4360	1812	548	1413	3275	1619	1762	0	0	5979	0	0	0	318	0	0	3155	628	6846	5954	1868	0	1038	0	527	2600	323	0	2292	0	2688	0	0	4443	2094	1826	0	0	0	2903	2667	2221	272	0	0	1602	1068	508851	1079	0	0	0	933	982	1563	2319	1584	1473	222425	139653	5627	44995	0	0	7375	7075	1164	481	1026	2460	406	523	0	5457	1786	0	0	4207	Peptide	0.42857143	1.9285715	0.21428572
16	C19 H27 O4 N1	334.2013	334.20178	0.23030956	334.20135	40682	59527	53568	46367	28298	28166	54895	54638	18626	66833	46413	42706	21637	20260	41747	79555	84667	28027	45094	101361	104424	63004	40789	61115	41293	95783	52308	49838	54112	57643	49482	51897	68373	46083	64813	57703	55883	29875	86808	55734	83847	33997	11804	0	518	39619	60606	835	66449	56211	57618	52931	34681	0	17591	16793	23452	66366	29316	67399	78069	35918	23919	18892	16766	27915	32699	83530	82887	95136	123706	44059	45002	56643	82097	49350	609	31566	53870	46736	31012	29858	39758	54401	19545	19841	45446	29056	36754	129367	76505	55458	65130	45734	74185	775	51439	57809	18422	19590	26268	70152	34111	60431	0	68711	26148	804	45158	25376	Lipid	0.21052632	1.4210526	0.05263158
2	C19 H27 O4 N1	334.2013	334.20197	0.19852805	334.20135	33405	32293	28596	26254	1415	0	29315	72121	1611	28405	15698	29579	1288	1704	31687	54660	48693	3773	7135	40061	35719	25668	21657	54027	25268	18703	32960	12704	52766	56989	48103	52738	39833	46673	28515	62680	45366	24397	44101	34230	28631	10131	0	0	0	19419	26253	0	60012	62326	26281	28275	4736	0	1898	793	4327	42309	3450	4254	44443	17348	759	2191	4746	3354	10374	51970	14687	19105	20378	47050	55145	79741	53944	48037	0	30435	24278	17783	20697	7172	11721	23915	1702	5052	17600	8789	12326	41797	31292	19081	51010	20978	44261	0	30692	34489	1493	524	1370	41124	22809	59599	11072	36471	1076	0	25782	2042	Lipid	0.21052632	1.4210526	0.05263158
18	C16 H31 O4 N1 S1	334.20465	334.20502	0.23829433	334.20474	12485	12601	13249	10539	0	0	2523	13464	0	0	0	13914	0	0	0	23329	3527	0	0	0	0	31613	130543	57593	0	0	3680	0	16365	18909	25946	55767	13962	101249	0	12131	13230	0	4418	0	0	0	0	0	0	8477	0	0	11896	7985	10458	10916	0	0	0	0	0	27296	0	0	31263	0	0	0	0	0	0	12468	0	0	0	49060	8183	25361	5108	5385	0	18492	58027	1869	84278	0	0	0	0	0	18964	11812	6063	99079	0	2147	124592	0	0	0	10280	11591	0	0	0	18745	12140	0	0	36469	0	0	1076	0	Organosulfur	0.25	1.9375	0.0625
14	C16 H31 O6 N1	334.2224	334.2229	0.323032	334.22253	30935	33237	32314	32130	0	34539	34228	0	0	0	0	0	0	0	0	0	564001	23364	38841	0	0	0	0	0	2943	0	30376	0	149074	57059	4840	69907	319597	54305	3083	69824	263087	1795	692785	0	0	60765	0	0	0	0	0	0	45274	0	25615	28228	114725	283	0	0	3322	0	0	0	0	0	0	0	4894	30130	66696	634117	0	0	11948	1320	48083	6353	105705	67519	0	2671	4533	0	1432	0	1578	0	0	21546	9760	79466	63150	0	0	0	0	0	0	0	30760	33426	0	0	0	227871	1489	0	0	30276	0	0	1872	0	Lipid	0.375	1.9375	0.0625
18	C16 H31 O6 N1	334.2224	334.22284	0.28655455	334.2225	25685	18257	24654	22082	1249	6585	76720	2586	0	6406	10718	29520	0	0	6485	2268	408545	9410	7796	2251	3253	0	0	0	1894	0	66909	12671	36468	23777	7059	29952	225216	22487	4326	38560	228572	7009	469512	0	0	21287	415	0	0	0	0	0	16698	4417	26447	22697	44505	309	0	0	3555	0	0	0	0	0	0	0	7937	28540	21521	420254	0	0	6687	3293	0	27057	127762	40540	0	16603	1896	6190	1946	0	9006	0	0	7562	2440	63562	17517	0	0	0	0	0	0	0	24035	21607	0	0	0	259840	22299	0	0	31912	0	0	3314	5794	Lipid	0.375	1.9375	0.0625
24	C18 H32 O3 N1 Na1	334.23526	334.2356	0.22620393	334.23535	0	0	0	0	0	18788	0	0	0	5402	0	0	0	2043	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2092	0	3595	8161	0	0	1284	1159	0	0	1719	0	5281	0	0	0	1877	1479	0	14375	9762	0	0	0	0	0	0	0	0	0	42576	0	0	0	0	0	2771	0	0	0	0	0	1289	0	0	0	5460	0	0	0	0	0	0	0	0	0	0	0	2113	0	0	0	0	0	0	3977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4542	Lipid	0.16666667	1.7777778	0.055555556
22	C18 H32 O3 N1 Na1	334.23526	334.23605	-0.04903082	334.23526	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3363	0	0	0	2763	0	0	0	0	0	28696	0	0	0	0	0	0	0	1797	0	0	0	0	0	0	1790	0	479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.16666667	1.7777778	0.055555556
12	C20 H31 O3 N1	334.23767	334.23822	0.28532678	334.23776	16741	14488	10557	15331	2203	7549	17336	23729	0	14498	11809	11033	0	36004	6671	21501	6015	2008	6639	23220	15687	4197	6689	15506	17875	18042	30438	17243	19836	13555	20556	18526	18563	14265	14627	19932	15037	12259	5767	12422	0	11503	0	0	0	5499	5438	0	26544	20149	14145	19156	3138	0	1642	0	4762	21156	0	0	113069	0	0	1179	19429	3060	17157	8579	23512	18434	15160	18719	16644	18451	12378	16226	0	12715	8321	0	5805	0	0	11212	0	1864	10763	6272	9229	73991	46783	0	51296	8959	24146	0	14351	11596	4445	0	0	15451	10981	6840	0	22762	1485	0	11840	0	Lipid	0.15	1.55	0.05
16	C20 H31 O3 N1	334.23767	334.23813	0.39535642	334.2378	1834	4240	2536	2971	0	0	1626	0	0	1876	3031	1247	0	0	0	7791	1462	0	0	0	0	0	0	4327	2415	3490	3687	4787	2371	1947	4533	0	5832	2737	1756	2701	5592	2246	1788	2691	0	1236	0	0	0	1371	0	0	4353	2683	2655	2334	1296	0	0	0	0	7744	0	0	0	0	0	0	972	0	1495	3239	2789	4304	3469	2431	1965	2781	2536	2430	0	2300	2165	0	0	0	0	2283	0	0	1997	1106	1302	71794	19442	0	0	1709	9928	0	2798	2126	0	0	0	4707	2231	0	0	0	0	0	1376	0	Lipid	0.15	1.55	0.05
10	C20 H31 O3 N1	334.23767	334.23822	0.25603467	334.23776	22891	20581	25896	26292	3222	7103	16756	39809	2076	24599	13951	20725	0	1877	19102	48868	17686	4415	6089	31280	24487	9991	16991	35821	38708	13882	29580	11787	33663	34807	35661	37864	32353	31774	23399	35361	35662	17517	16205	24909	0	7658	0	0	0	11865	10653	0	43832	33901	26277	23263	7824	0	1639	0	4234	51588	0	0	44395	3754	0	2325	5094	3000	7492	34409	7578	16431	16215	39104	30460	29817	33474	30544	0	22012	15113	13124	14409	0	0	14380	0	2352	16785	8574	12067	200379	58074	0	82767	12675	41888	0	24294	23427	3289	0	0	32109	19598	19398	0	44769	2956	0	21147	0	Lipid	0.15	1.55	0.05
18	C20 H31 O3 N1	334.23767	334.2381	0.28244683	334.23776	0	2250	1592	1742	0	0	1076	0	0	0	0	0	0	0	0	3934	2866	0	0	0	0	1776	0	2102	0	4301	1433	1368	3052	0	1783	0	2521	0	0	0	0	0	1787	0	2659	0	0	0	0	0	0	0	0	1449	2275	1574	0	0	0	0	0	4837	0	1179	1807	0	0	0	0	1678	0	3246	1905	0	2155	0	0	2013	0	0	0	0	2510	0	1661	0	0	0	0	0	0	1247	0	54833	5213	0	7990	1935	2148	0	2143	0	0	0	0	1720	0	0	0	1492	0	0	1273	0	Lipid	0.15	1.55	0.05
6	C20 H31 O3 N1	334.23767	334.23828	0.25893018	334.23776	8933	12534	10241	9810	504	3410	8515	26777	0	10556	6093	9747	0	0	14776	27907	13124	620	1992	14112	13511	6861	10175	22604	15017	2611	10506	3463	19712	24561	21265	23109	19463	20998	10429	20838	22124	12814	15467	11446	1898	3951	0	0	0	6859	7225	0	28233	23071	12648	10110	2717	0	0	0	1063	21454	0	0	21564	3629	0	0	1512	1395	3502	23620	1662	3617	2781	21132	15467	22368	15215	17051	0	10254	7602	6218	8109	428	530	7351	0	1096	9096	3400	2750	27993	19642	1142	43306	8083	17302	0	9448	9982	0	0	0	18359	9302	13152	0	22219	1241	0	10331	0	Lipid	0.15	1.55	0.05
14	C20 H31 O3 N1	334.23767	334.23816	0.29206088	334.23776	0	2340	2332	2759	2011	1804	3102	4624	0	3328	3462	3197	0	2192	1946	12893	0	0	0	7407	5885	0	1622	5828	6006	8938	7958	0	1844	6651	4353	0	6604	5261	6360	8298	6325	1219	1486	6866	0	1282	0	0	0	3050	4266	0	4661	3440	3786	3160	1985	0	0	0	766	11140	0	0	0	0	4123	0	0	0	4049	5936	0	8518	6120	4342	5224	3502	3650	5364	0	3004	2369	0	2230	0	0	3822	0	0	6382	1440	1870	45111	24337	0	22551	6778	13270	0	1828	3719	1300	0	0	6768	4210	0	0	10196	0	0	1448	0	Lipid	0.15	1.55	0.05
2	C17 H35 O5 N1	334.2588	334.25967	0.24796645	334.25888	0	0	0	0	0	0	0	0	0	1157	0	0	0	2727	0	0	0	0	0	1757	0	0	0	583	0	0	0	1423	0	0	0	0	0	0	0	468	0	0	0	0	0	0	0	0	0	332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21119	0	2513	0	0	0	0	0	1610	1556	0	0	0	0	0	0	0	0	0	3737	0	0	0	363	0	0	0	0	0	0	0	0	824	0	465	0	0	586	0	0	0	0	0	770	0	0	0	0	0	838	Lipid	0.29411766	2.0588236	0.05882353
4	C17 H35 O5 N1	334.2588	334.25952	0.40624213	334.25894	0	591	0	479	0	0	0	0	0	0	0	0	0	912	0	0	0	0	0	0	594	0	0	0	0	389	893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26667	0	10234	0	0	0	267	0	0	2612	0	0	0	0	0	0	0	0	0	0	0	0	0	2468	0	0	0	0	0	0	0	0	0	0	946	0	540	541	0	0	0	0	0	0	0	0	0	0	0	1538	Lipid	0.29411766	2.0588236	0.05882353
10	C17 H35 O5 N1	334.2588	334.2595	0.31315836	334.2589	0	0	0	0	7447	15228	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40348	0	0	0	0	0	0	0	0	0	0	23426	0	0	0	14946	0	0	0	0	0	0	0	0	18025	65864	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3361	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.29411766	2.0588236	0.05882353
20	C21 H35 O2 N1	334.27405	334.27432	0.27583855	334.27414	0	0	0	0	0	0	1500	0	0	0	0	2720	0	0	4821	1963	0	0	0	0	0	0	0	0	25063	0	5736	0	0	0	0	0	0	0	0	1658	0	3620	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2679	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8152	0	0	0	0	0	0	0	0	3812	0	0	9520	0	0	4863	0	0	0	0	0	0	0	0	0	4233	0	0	0	0	0	2569	0	Lipid	0.0952381	1.6666666	0.04761905
12	C18 H39 O4 N1	334.2952	334.29614	0.5054249	334.29535	0	0	0	0	0	1094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20770	0	0	0	0	0	0	0	0	0	0	7932	0	0	0	20089	0	0	0	0	0	0	0	0	8143	26685	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22222222	2.1666667	0.055555556
10	C18 H39 O4 N1	334.2952	334.29602	0.26870367	334.2953	0	0	0	0	0	3947	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18088	0	0	0	0	0	0	0	0	0	0	4398	0	0	0	13789	0	0	0	0	0	0	0	0	0	30802	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22222222	2.1666667	0.055555556
26	C18 H39 O4 N1	334.2952	334.29556	0.29779524	334.2953	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3918	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2915	0	0	0	0	0	0	0	5270	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4994	8366	0	0	0	0	0	1682	0	0	0	0	0	0	0	5630	56768	0	0	0	0	0	12923	0	0	0	Lipid	0.22222222	2.1666667	0.055555556
26	C13 H6 O7 N2 S1	334.99686	334.99695	0.33719304	334.99695	0	0	2522	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3002	0	0	0	0	0	0	0	0	0	0	3623	9923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12853	0	0	0	0	0	0	0	0	0	0	13527	0	7882	0	0	0	0	0	10517	0	0	34785	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7689	0	Organosulfur	0.53846157	0.46153846	0.15384616
2	C8 H7 O4 N8 S1 Na1	335.02814	335.02884	-0.06484807	335.0281	18595	17610	14309	13495	867	0	83208	3594	3676	8588	25184	378	0	8072	1284	0	0	372	1887	2155	2107	3510	944	0	16592	59082	0	10173	510	556	4346	3807	3340	697	17337	5848	840	16408	0	10763	470	0	0	0	0	17987	486	0	758	6726	13197	15272	1393	2720	0	1343	17301	3459	8281	0	0	50422	0	464	0	453	852	0	62221	33174	0	921	1438	2962	0	4157	0	15626	35186	5963	74287	79911	136450	34210	8233	7808	10960	0	3535	1619	3479	7915	1348	17750	314	12002	12639	11597	0	1003	548	0	0	390	62475	4450	4360	0	78630	478	Organosulfur	0.5	0.875	1.0
20	C15 H10 O9	335.03976	335.04025	0.36730763	335.0399	7198	5522	3888	4641	30281	12127	1748	0	22487	0	0	3984	42698	15892	3433	1953	1651	33709	25588	0	0	4432	10455	3588	1447	0	1769	0	0	0	0	0	3404	0	0	0	1947	3136	1784	0	0	4244	2094	0	979	0	1595	2449	0	0	4773	5327	17387	474	23301	24620	10662	0	0	1330	2453	0	51990	24770	8381	32885	8413	1511	0	0	0	1239	0	0	0	0	814	1832	14908	3523	10954	1330	0	0	37305	16510	10703	7413	8055	1989	0	0	2797	4166	5465	561	4558	7052	15257	29089	33837	2956	2398	0	0	0	18873	0	2121	48957	Phytochemical	0.6	0.6666667	0.0
10	C15 H10 O9	335.03976	335.04044	0.4619716	335.03992	2900	2838	2365	3182	16628	4916	0	0	18033	0	1356	1611	26354	4145	0	0	0	12395	12562	0	0	4449	2034	0	0	0	0	0	0	0	0	0	0	0	1212	0	0	1460	1422	0	1073	4275	0	0	0	0	0	0	0	0	3892	4986	8361	0	12876	17243	5303	0	0	0	0	0	37952	17352	4140	21581	3346	1627	0	0	0	0	0	0	0	0	0	965	1922	0	3122	0	0	0	17479	5240	1774	3759	6361	1694	0	0	0	7575	1393	0	3513	1766	9977	27719	20984	1802	1316	0	0	0	12137	0	0	33378	Phytochemical	0.6	0.6666667	0.0
8	C10 H14 O7 N4 S1	335.06558	335.06638	0.24152832	335.06567	11232	12034	9438	11711	0	1971	7013	29136	0	5690	4415	13001	0	0	12255	25100	23435	1933	3177	6335	5083	9045	12191	42367	14555	0	10997	1593	14622	14626	13985	13427	18463	11789	5595	13444	15664	11313	25144	10851	7937	8007	0	0	0	11450	7102	0	24063	22959	11330	10024	4148	0	0	0	4996	26684	0	2965	33884	3055	0	727	2234	2416	6385	28754	0	1511	0	18201	9524	6258	16669	14923	0	10663	17098	8292	16263	1518	784	9552	0	0	10527	12357	7280	46460	12251	6445	49172	4841	9602	0	11785	11179	0	0	0	18400	9126	6409	0	24458	0	0	18926	0	Peptide	0.7	1.4	0.4
6	C10 H14 O9 N4	335.08334	335.08368	0.3742703	335.08347	611	0	0	0	0	0	0	930	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	520	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	882	1110	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22710	0	0	0	0	0	0	0	356	0	0	0	0	0	0	1104	0	0	1522	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	508	0	Peptide	0.9	1.4	0.4
18	C20 H14 O5	335.0914	335.0919	0.32077426	335.09152	2728	6116	2319	2884	3867	0	0	0	5033	15665	15596	1265	4390	3153	1675	1726	3472	5194	5255	8168	5460	11429	3478	1416	1863	23124	0	10764	0	0	1747	0	1930	0	10748	0	2031	1623	2538	2548	10935	2403	0	0	0	4654	4584	0	0	1497	4623	4186	4537	0	0	3657	943	2912	1814	2548	1787	4653	6378	3178	1578	5920	3147	3042	19044	18826	33077	1230	0	1443	2231	0	0	1118	3635	6460	3432	4933	1306	4807	4456	1848	2393	2726	3290	5218	3373	4963	4333	7162	8899	0	5356	4861	3867	3771	3895	0	1271	0	2787	1919	3965	0	2790	3251	Phytochemical	0.25	0.7	0.0
22	C20 H14 O5	335.0914	335.09192	0.36529836	335.09152	8336	2850	5659	8249	6837	2580	1917	1662	7358	10475	17704	1087	2740	8757	5619	3021	2272	5869	7254	11362	9048	12793	1588	4353	6796	22284	1370	15243	2141	2408	0	0	1685	0	16403	1930	2711	5639	3986	7046	11725	3494	0	0	0	6988	10441	0	0	1990	4675	3616	5646	300	7827	3009	3972	0	5457	3571	2629	8031	6142	6689	4403	4716	7242	3185	24482	19894	33271	0	1157	0	1986	1565	0	2743	5514	9533	6817	5271	5717	7806	11115	6078	9964	5278	5506	2846	2053	6885	4507	13420	10625	0	4787	7721	7310	6684	8878	2998	1953	6193	5748	5224	7970	0	6128	3919	Phytochemical	0.25	0.7	0.0
6	C13 H22 O6 N2 S1	335.12714	335.1276	-0.3134246	335.127	1975	0	1788	1022	10584	785	1038	1572	1008	6420	10291	1074	0	0	1051	1501	0	1133	971	857	0	1311	1372	1608	1045	0	935	0	1553	0	0	1579	1638	930	2673	1690	995	1647	952	1874	757	568	0	0	0	3466	6112	0	1325	1493	1800	1754	802	0	1064	670	0	1689	34605	0	1735	17342	1235	0	0	1459	909	1346	0	0	0	751	0	1557	0	1119	0	973	894	0	766	739	545	0	0	0	1247	523	627	1835	3203	1952	1742	5691	1783	0	1419	2516	0	683	675	1864	822	2337	923839	1806	417	0	961	1118	Peptide	0.46153846	1.6923077	0.15384616
6	C15 H18 O5 N4	335.135	335.13562	0.22670539	335.13507	11933	15574	10281	14192	5771	4656	8478	14203	5307	5750	5709	9190	4693	3770	11116	18468	24208	6294	11987	9363	9434	17154	9882	17081	10225	1217	7683	2738	10666	12336	14036	14088	16759	11069	12430	11439	15762	10669	35240	7895	11267	7444	0	0	0	8954	9795	0	14661	10792	11933	12054	6199	0	7054	2976	4999	18175	9137	7952	15071	5319	5840	5324	5996	7406	7361	36629	2883	5688	8680	11583	7800	7636	9769	10905	0	7958	9987	4013	9143	5400	6410	4393	4878	5088	13688	7538	8094	36842	13039	13488	32311	7570	6848	0	11723	10872	3232	3576	2834	19300	7860	9831	16644	16107	4450	0	12723	6908	Peptide	0.33333334	1.2	0.26666668
12	C15 H23 O3 N2 S1 Na1	335.13998	335.14047	0.00858667	335.13998	0	3253	0	1607	0	1175	0	2374	0	1540	2084	1065	1927	0	1122	2928	0	0	0	2001	4782	0	0	2571	0	5240	0	0	1392	2023	2956	2451	0	1518	2527	2209	1541	0	2823	0	0	1074	0	0	0	2657	0	0	1958	1653	2324	2017	1370	0	2250	0	957	3347	0	0	0	1907	0	1499	0	0	0	0	0	7497	6495	2374	1546	1842	0	1466	0	1469	1401	20854	1598	1515	1095	1782	2303	816	2829	1604	1826	0	5331	2055	2976	0	2281	0	2565	2268	0	1015	991	0	2980	0	0	2341	2179	0	1537	0	Peptide	0.2	1.5333333	0.13333334
16	C15 H23 O3 N2 S1 Na1	335.13998	335.14056	0.16685824	335.14005	4684	6775	4549	3373	4516	0	2676	7236	2184	9270	3747	1506	3161	3191	3866	5330	2828	3764	6018	9535	13651	3742	4361	4542	2479	11884	1726	3966	3039	4008	3027	3496	3084	4406	6363	3212	5333	3556	2959	4794	9620	2283	0	0	0	1142	3216	0	4404	3478	3816	4519	4501	0	3088	3211	3499	3218	4125	3553	0	3752	4096	4306	1713	6557	3318	2637	15940	22348	14891	4401	3511	4044	5802	4170	0	2655	3882	0	3153	3917	2329	5727	3752	3054	3315	2481	4323	0	0	3004	0	4348	5025	0	6124	2611	1855	1918	3083	4376	6046	4638	0	0	2036	0	2323	4047	Peptide	0.2	1.5333333	0.13333334
18	C17 H22 O5 N2	335.16016	335.1606	0.17697623	335.16022	66244	64825	49585	54205	46430	42563	69367	76842	31584	51878	43018	42536	33387	32114	69078	76666	55257	66795	70166	45642	41748	75292	114470	102202	73901	40952	57153	62224	83878	61254	59148	94350	110324	75497	53080	84901	100381	49306	56094	41150	49646	47329	1020	398	366	38180	33232	0	93945	53782	55573	57402	47604	453	41640	23197	37583	95940	51908	42144	76214	31158	27947	39214	27210	43639	50255	63929	36851	51934	66931	53786	47385	54821	52127	63054	262	43193	63384	45755	65301	33835	51589	27114	24898	45346	69417	71845	63545	75825	98939	92032	122835	31198	44859	502	65333	64291	34960	28424	29742	92653	44982	66374	22083	89668	40361	0	71779	44446	Phytochemical	0.29411766	1.2941177	0.11764706
16	C17 H22 O5 N2	335.16016	335.1606	0.120636106	335.1602	141421	136113	138613	150806	78464	101342	227361	179676	73476	101465	69223	120271	68559	66578	204170	211399	99839	125421	134935	136418	114731	173533	168416	222666	196604	50156	171224	79524	208537	194462	182578	245059	236163	231267	130914	227434	252681	204507	110564	114854	111222	100666	1788	320	562	102414	79800	609	234496	191097	151572	157706	94755	933	85368	40088	91365	229192	105967	89816	200202	70048	58771	57956	71404	84347	119736	105053	60108	104996	85345	206031	205633	181225	145698	191827	465	128602	137855	87781	146461	78908	115295	75724	56993	100376	188237	127052	145866	194528	192382	174328	294011	81526	110690	895	133281	156074	57127	52458	54893	234695	146411	126072	44800	269197	64113	0	247079	101221	Phytochemical	0.29411766	1.2941177	0.11764706
20	C17 H22 O5 N2	335.16016	335.16064	0.29311264	335.16025	6177	15524	10401	10372	11005	10784	9943	12790	4651	10957	6531	10017	5488	6772	13341	15624	10155	9396	6481	6191	6059	14480	11606	23382	13252	5251	7097	14323	17870	13022	7999	14983	23437	15034	11786	10403	20839	9683	11337	5943	10247	8381	825	0	436	9348	4842	0	16585	8588	13477	11850	11240	338	8817	4461	5515	21787	10062	6044	18528	6224	6247	6280	5861	10113	9229	10534	3732	7094	5235	11621	9602	7034	9973	10544	424	9645	8043	8204	7741	3625	6891	0	4303	6228	14442	11989	10240	17760	26766	20531	28186	7602	10309	0	12220	12045	3518	3238	4521	15864	9150	14057	4664	16682	5808	0	13164	11168	Phytochemical	0.29411766	1.2941177	0.11764706
2	C16 H22 O4 N4	335.1714	335.17206	0.21089888	335.17145	7319	5717	6178	4833	2733	0	6489	7812	2114	3690	2543	5724	2004	2183	5877	3493	8741	3738	4647	4891	7896	9535	6592	9521	5351	1467	1776	3397	6509	5005	5759	6242	8212	5809	5861	7296	7589	4800	11572	6635	6856	0	0	0	0	4106	4446	0	8023	5603	5211	5816	3598	0	3517	1124	2145	7465	2518	3889	3946	3497	2449	3330	0	2349	5354	12446	1601	3702	4897	6732	6897	5049	3979	6333	0	5227	8284	4334	5237	2970	3142	3605	1829	2364	7076	4201	5105	21050	9982	8893	18306	3459	2149	0	5592	7056	1381	843	833	6701	6323	4989	3085	9029	1348	0	6303	2737	Peptide	0.25	1.375	0.25
20	C16 H27 O2 N2 S1 Na1	335.17636	335.17694	0.24294665	335.17645	9010	11485	9449	6337	9745	5359	4032	8389	5826	11428	11189	4888	10223	5694	10183	9092	8646	10136	13554	16087	23192	12520	7612	10683	6505	24323	6093	10027	11915	9363	9356	9229	10132	8740	13215	9535	7759	5653	10904	11344	10148	6201	441	0	0	5531	6652	0	8616	6473	15210	10172	5415	0	9283	9506	6248	9382	5918	8610	9315	5937	6541	6435	4852	7286	7095	10119	14946	25186	23259	9087	7385	9017	8278	8296	0	6295	10913	6315	7356	5107	7782	7481	7689	6274	7537	5590	6525	8701	8154	8909	11348	11126	12946	0	6854	14904	8167	10847	12309	13600	5656	7222	5050	8724	5413	0	8481	13357	Organosulfur	0.125	1.6875	0.125
18	C16 H27 O2 N2 S1 Na1	335.17636	335.17688	0.20551191	335.17645	6385	8752	6858	8198	7002	6349	6250	11603	4902	6967	9640	5306	5691	5858	4113	10184	10244	6377	10255	14890	11554	6558	6578	13388	5490	26621	8888	9422	9778	9401	9555	8936	11642	8077	10421	16784	9848	6072	10842	10506	11450	6966	326	0	0	5546	7052	0	7443	8624	11155	6974	4912	0	9359	8733	6283	10326	7175	9098	9818	7353	9113	7178	4062	8459	6719	15446	21337	24049	36879	6823	7494	10984	7426	10073	0	6405	13847	5670	7463	6515	7562	6985	4657	5331	10105	7358	10407	10226	7254	8930	12607	5205	5535	0	7172	9177	6230	8553	8929	9350	6112	7883	3401	8713	5932	0	8909	5752	Organosulfur	0.125	1.6875	0.125
0	C14 H26 O7 N2	335.18127	335.18198	0.18114436	335.18134	3930	4614	4059	4188	5534	0	0	8720	4433	1381	0	2162	18121	0	2382	0	1873	16578	7405	0	2802	5113	4876	6014	3009	0	0	1178	11297	2704	6862	7012	16391	19344	2591	6520	13205	2482	2550	0	0	5628	0	0	0	3022	0	0	5590	3383	4792	3480	6460	0	4619	1974	1433	8314	1164	0	2750	0	9162	4594	2194	16388	8274	3692	0	0	0	21710	20130	4988	0	6342	0	4193	2267	2009	1878	0	0	0	2125	1727	1366	11987	7208	3369	5860	6319	10583	0	0	0	5640	4250	2053	1367	2869	6718	3333	0	0	7200	2519	0	1548	24207	Peptide	0.5	1.8571428	0.14285715
2	C14 H26 O7 N2	335.18127	335.18198	0.2767658	335.18137	4429	6630	4770	5681	6401	0	1774	6821	5115	1667	0	2599	19103	3266	3861	3519	3224	18201	7010	1477	801	3275	3219	5883	2478	0	0	1214	4816	4145	4547	4862	7689	7547	1418	4579	9866	2390	3409	0	0	0	272	0	0	1003	0	0	6373	2920	5386	5027	5743	0	4916	2886	2102	5862	0	0	5298	0	7327	3541	0	17497	5400	4631	0	0	0	7855	4822	3705	668	3443	0	2761	2368	7023	2491	0	0	0	3565	2460	2924	5824	4621	7456	6772	4963	12967	2401	0	0	5398	6270	3800	3230	3668	4171	2357	2134	0	6090	3645	0	1613	20424	Peptide	0.5	1.8571428	0.14285715
6	C19 H26 O5	335.1853	335.1859	0.23805656	335.1854	8760	7513	4251	8112	6313	7979	9398	10455	7580	5626	5517	6596	5159	7939	9972	8914	10652	4689	7648	15074	12410	26336	9385	12145	8265	5315	8825	6079	8846	11501	9377	8313	8382	5979	15062	9268	6493	8954	8785	5663	6184	6438	5136	3400	4716	9941	6938	4491	8494	8689	6819	6437	6839	4124	6442	7577	7561	10813	5743	6146	9823	4920	5206	4419	3969	5312	4627	8337	9372	5794	7795	6972	10877	9655	6353	10214	3761	5952	8322	3339	8936	10501	9543	4273	7213	5303	12310	5493	7048	9443	5888	5259	8934	5808	9198	4667	8989	7341	5992	7596	9026	12861	10307	7230	0	6828	2713	3564	9249	3630	Lipid	0.2631579	1.3684211	0.0
18	C18 H26 O4 N2	335.19653	335.19696	0.12618199	335.19656	11751	12352	11496	11216	6806	7255	8237	9874	3623	11514	8075	5393	6050	7950	8540	19362	11755	5298	7351	14074	17893	17475	7812	22583	7020	8613	7782	9842	11357	10029	14677	13891	15142	19417	14949	11094	20904	5227	18075	16133	19842	8332	287	0	0	5666	9317	0	15906	10320	15358	12701	8337	0	3896	2945	3232	15569	9361	12604	12963	9251	3722	4758	4916	5107	8984	20932	5791	13634	14800	11013	6397	10020	12498	15078	0	5026	10726	9029	5853	8977	12224	10585	3469	3136	10146	7657	8153	27656	29286	26097	19122	10506	12245	0	14512	7657	2527	3055	1829	16482	5560	12671	6435	16641	8149	0	6958	4568	Lipid	0.22222222	1.4444444	0.11111111
16	C18 H26 O4 N2	335.19653	335.19702	0.1547238	335.1966	16650	20385	13992	14269	4973	4320	9763	15418	4167	18559	10333	11531	3312	5593	9982	14599	19537	5070	5613	27598	19953	26758	6816	18367	11573	12457	11101	11573	15534	14227	15529	13249	20720	13696	13628	15109	18067	11261	23146	22098	19942	6269	0	0	0	17901	17487	0	21177	14588	12578	16060	6053	0	2146	2367	3674	21185	6770	15849	12855	9828	2614	3170	1919	3587	6278	22110	10923	19130	20876	14559	14745	14224	13104	16455	0	7476	10614	11899	7217	12466	8342	12066	2061	3872	13322	9028	4588	28666	43186	30622	0	18466	27826	0	15331	11059	0	2443	3185	15645	6439	14207	8470	14841	4711	0	16556	4568	Lipid	0.22222222	1.4444444	0.11111111
14	C18 H26 O4 N2	335.19653	335.19705	0.23087217	335.19662	11428	14088	13590	12598	4942	3503	9978	13806	4397	16932	8936	7235	2204	2848	9097	18984	23174	3414	5710	22515	22331	25222	8240	14014	13565	17746	8671	8274	14428	12802	14614	15819	24708	19031	23061	16696	17659	6490	22405	22399	19052	8329	0	0	0	19572	15421	0	18088	11103	12871	14749	4500	0	3056	2368	2512	17472	9813	15467	0	11163	1879	4918	1828	4938	5770	23083	0	15907	20793	13064	15830	14066	11422	13726	0	9517	8067	0	8193	8349	11631	15692	3269	3930	12856	9839	9002	41745	46340	22742	29548	14561	21838	0	10822	14709	2848	3156	2638	13699	8273	16424	0	17845	3319	0	12519	1571	Lipid	0.22222222	1.4444444	0.11111111
12	C18 H26 O4 N2	335.19653	335.19705	0.20662528	335.1966	15722	17818	13689	15410	7079	8674	12029	20716	2379	19081	9693	8756	2515	4607	9903	18457	16151	4468	11153	30406	24061	17506	10347	19754	12136	17895	6838	9179	15786	11919	13230	18227	20289	15832	26646	14799	18037	9985	20793	24558	14301	7900	0	0	0	16636	12674	0	17589	13124	12904	11084	6250	0	1436	3872	3650	23330	0	0	0	10183	2452	2226	4791	5792	5898	14640	0	26564	24210	12836	16385	12996	14177	14405	0	10012	9045	0	8488	6144	6625	18522	3521	2860	14453	10069	6707	35609	59524	27798	27393	10748	21043	0	11749	14096	1952	1371	1795	15662	9523	12894	0	18665	4023	0	11793	6446	Lipid	0.22222222	1.4444444	0.11111111
22	C23 H26 O2	335.20056	335.201	0.19063683	335.20062	16367	18870	11050	14313	13959	5513	17093	20753	11585	10565	12598	16177	5529	10951	16937	20665	33910	10919	14647	10339	12403	11906	13382	19937	14973	31904	18147	9345	17150	20797	13852	19388	20533	10910	10152	20771	16710	15946	33922	7483	15443	10389	0	0	0	9725	11476	0	16463	19558	16954	15800	15789	0	8412	11322	10629	20175	8832	15912	16114	5870	5712	8063	11836	4486	9451	32568	21298	27382	27757	9898	9283	17513	25519	18186	0	12085	20495	12823	17546	7349	9446	8524	21365	13877	27008	13170	11846	30530	14018	10330	22511	13759	9305	0	11757	18899	9106	18161	18646	22475	17178	13761	7199	20222	14645	0	19441	8877	Phytochemical	0.08695652	1.1304348	0.0
2	C23 H26 O2	335.20056	335.20102	0.42238423	335.20068	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4119	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37470	0	0	0	0	0	0	0	380	0	0	16162	8990	0	7018	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.08695652	1.1304348	0.0
24	C18 H31 O4 Na1	335.21927	335.21982	0.66207975	335.2195	1727	0	0	2157	0	1708	10878	0	0	3129	2253	0	0	23483	0	0	0	0	0	2509	0	0	0	0	0	4972	25390	3434	0	0	0	0	0	0	2239	0	0	0	0	0	2621	2478	2098	0	0	0	0	0	0	0	2471	0	0	0	0	2021	2900	0	0	1911	0	0	3636	0	13703	1889	1760	0	2670	0	2727	1002	0	0	0	0	0	0	4174	0	0	3375	3388	8133	1273	0	0	0	0	0	0	0	0	0	1589	0	0	0	2082	0	0	0	0	0	0	0	0	0	0	2595	Lipid	0.22222222	1.7222222	0.0
16	C20 H30 O4	335.22168	335.22214	0.35951588	335.2218	128385	118092	159450	202734	60753	28512	350859	341283	44907	31194	458865	207684	26910	76704	296799	188985	869376	29253	66027	206868	25206	164154	196626	405258	127713	41349	231246	2171019	82212	113262	81828	110019	123627	59022	26781	156675	138108	326685	311004	30525	290664	93006	606720	15768	22584	224856	854781	27450	106965	483975	135954	119808	55776	139068	50742	58134	62175	168939	1719507	2893164	10130127	330990	44685	43389	71658	44541	51003	273714	6107796	62682	80241	58419	52374	117498	269817	97917	48918	102960	160611	5520262	111327	48360	118248	63420	100341	78483	197886	42894	60768	438954	120150	97353	173376	130284	84204	31185	147693	412587	95883	125727	158763	487308	122670	1146843	491424	119442	88095	19905	171423	30894	Lipid	0.2	1.5	0.0
14	C20 H30 O4	335.22168	335.22232	0.50801075	335.22186	51800	60886	42967	44362	5072	5174	159065	17735	4726	29916	80416	36325	6139	14577	15286	21879	72913	2302	4301	49070	3129	89462	23065	83447	15726	3508	67575	396446	15203	9488	9113	13364	9968	5347	2303	9878	8413	48527	34933	19243	107521	5569	51488	982	631	45850	83306	4030	10976	30573	57844	53816	3627	9413	5515	7212	5685	83862	151515	354361	885109	77507	9292	6525	5319	3330	4579	30549	947118	26585	14917	13739	3125	10670	20625	13200	743	28375	14927	636564	11457	5660	10149	2925	10544	7546	15100	5003	4843	97520	14268	21074	16803	70929	11463	5652	48728	66229	31893	16381	22545	82457	25658	98755	32805	12289	7978	2840	21300	3473	Lipid	0.2	1.5	0.0
10	C19 H30 O3 N2	335.2329	335.23343	0.25849658	335.233	2071	2053	1425	3675	0	996	3969	3373	0	1632	1206	7061	0	0	4987	8534	3522	0	0	2452	1281	2764	1574	3757	4354	1197	2820	0	2498	1954	3950	3024	3009	3795	0	2191	4766	5313	4631	1281	0	0	0	0	0	0	0	0	3422	3777	3168	2733	0	0	0	0	0	9466	0	0	0	0	0	0	0	0	0	5329	0	1708	0	19667	3346	959	4301	2498	0	6654	1327	0	1849	0	0	0	0	0	3679	1653	989	46551	10042	0	19176	1146	3774	0	1427	2631	0	0	0	3750	6598	0	0	9454	0	0	4055	0	Lipid	0.15789473	1.5789474	0.10526316
6	C19 H30 O3 N2	335.2329	335.2335	0.24646845	335.233	2371	2868	2703	3349	0	584	1539	6641	0	2204	0	1702	0	405	2425	10846	3969	0	1282	1824	1788	1827	3430	9010	5154	0	1740	0	3163	3813	3505	3581	3551	3327	1170	2761	4319	2478	3612	0	0	1919	0	0	0	1819	1364	0	6508	5084	2657	2387	941	0	0	0	991	10156	0	0	8287	0	0	0	0	664	1267	4416	0	1546	0	8106	3229	3180	2689	3037	0	2220	6128	0	3699	0	0	922	0	0	5896	1072	693	21858	3158	0	17348	809	4008	0	1857	2461	0	0	0	2568	1852	1321	0	6996	0	0	4828	0	Lipid	0.15789473	1.5789474	0.10526316
8	C19 H30 O3 N2	335.2329	335.23346	0.22128768	335.233	3264	2758	3137	3594	0	663	2681	10074	0	2998	0	4630	0	0	3413	14605	2950	0	943	2516	1549	2317	4156	12925	10496	697	5675	0	2908	4149	6422	3001	4206	3438	3364	2179	4472	3585	4345	1853	0	0	0	0	0	3386	0	0	6989	5444	1654	4876	693	0	0	0	0	8780	0	0	9880	0	0	0	0	0	1096	4889	0	4965	1789	5067	2061	2101	3138	2928	0	4854	4393	0	3069	0	0	966	0	0	6063	1601	0	22347	0	0	13346	0	2606	0	2462	2008	0	0	0	3152	3391	2331	0	11693	0	0	9556	0	Lipid	0.15789473	1.5789474	0.10526316
14	C19 H30 O3 N2	335.2329	335.2334	0.30617368	335.23303	9955	11291	10105	7616	0	0	12834	15791	0	0	3938	26362	0	0	86309	59027	12732	0	0	2198	2517	0	93617	23576	228294	0	26878	0	3027	6856	14773	0	11191	3485	0	2814	6793	87353	4913	0	0	0	0	0	0	0	0	0	10312	10097	8061	10680	0	0	0	0	7994	32871	0	0	23703	0	0	0	11457	0	0	97055	0	3041	5909	2937	2120	8042	10280	4807	0	11995	16099	0	106555	0	0	1657	0	0	7958	0	0	11329	2738	0	12458	0	0	0	5624	8962	0	0	0	6012	33227	0	0	44337	0	0	79654	0	Lipid	0.15789473	1.5789474	0.10526316
24	C17 H34 O6	335.24283	335.24332	0.19875862	335.2429	3031	2509	1883	3247	0	0	0	0	0	13104	7875	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4909	0	0	0	0	0	0	0	0	0	0	939	1848	0	0	0	0	0	0	87691	0	0	81999	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2782	0	0	2711	0	0	2418	2101	0	0	0	0	0	0	542906	0	0	0	0	0	Lipid	0.3529412	2.0	0.0
22	C21 H34 O3	335.25806	335.25848	0.20523754	335.25815	12661	11235	9100	10557	2588	3005	158145	4720	1734	4226	3797	5444	0	30531	7211	13735	32333	0	2805	2113	0	4007	4023	3569	8528	29517	150383	10240	10141	9449	4139	10300	4619	4512	1788	9800	4932	7557	37615	0	5606	3932	0	0	0	3342	6064	0	5743	6198	9853	13172	4611	431	0	5936	6012	10356	0	12607	13338	1187	11665	1692	28547	5144	15582	32367	2993	2241	7551	3018	6801	16926	21060	8381	0	2323	6103	15994	3725	10646	59352	76884	2820	6491	29003	1672	5309	41216	11198	10074	13367	3186	4808	0	6879	11936	5529	2418	4877	7648	4038	2576	3182	5613	1772	0	10790	2293	Lipid	0.14285715	1.6190476	0.0
24	C18 H38 O5	335.2792	335.27975	0.13780242	335.27924	0	0	0	0	11202	3163	0	0	0	0	0	0	0	3053	0	0	1435	1518	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2403	3208	0	0	0	0	0	0	0	0	0	0	2688	0	0	0	0	0	0	0	0	0	0	0	0	0	2097	2359	0	0	9830	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29781	834	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2777778	2.1111112	0.0
26	C18 H38 O5	335.2792	335.27966	0.27168784	335.2793	560917	526439	498154	489338	1328299	3447833	0	11473	7022	7726	11736	4041	1498057	15642633	0	18550	11192	410804	3621521	11098	8862	17959	0	17459	0	16817	9305	33596	16194	9103	14669	63656	15431	6619	14298	12317	20272	3467	12104	14034	19640	5335336	18594	0	0	18696	24366	0	13343	14505	541334	513174	485761	15611	36407	16749	29078	6518	13033	15432	8343	6583	12442	8198	164781	612745	19721207	19009	7444	17145	11153	6250	32057	18475	9371	9986	0	2768	6402	38312	5146	18166	8487	6312	54150	157882	1703	1482487	4194550	19452	20320	19542	13806	8714	12000	21478	523536	590929	61507	22681	65584	16407	3259	15140	22494	19153	93172	0	4332	2701	Lipid	0.2777778	2.1111112	0.0
26	C22 H38 O2	335.29446	335.2948	0.23636031	335.29453	4071	2975	3691	2736	0	0	115868	0	0	0	18542	0	0	35173	0	0	0	0	0	0	0	0	0	0	0	15095	127222	28688	0	0	0	0	0	0	0	0	0	4063	5909	0	9946	0	0	0	0	0	0	0	0	0	2507	3997	0	0	0	5607	5299	0	0	8684	10237	4686	5223	0	53817	1351	8031	4887	11835	2177	2875	0	0	0	0	2242	0	0	4679	21234	0	13340	9440	15958	0	0	10894	0	0	3819	6755	5997	0	3839	0	0	3268	0	9866	0	0	0	0	7930	6201	0	0	0	2606	0	Lipid	0.09090909	1.7272727	0.0
12	C21 H38 O1 N2	335.3057	335.30624	0.26064897	335.3058	0	0	0	0	0	0	0	4468	0	0	0	0	0	0	0	2473	0	0	0	0	0	0	0	0	1106	0	0	0	1845	1189	14749	8385	0	6387	0	23084	0	0	0	0	0	0	0	0	0	0	0	0	1595	2874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2154	2224	6618	2892	2729	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.04761905	1.8095238	0.0952381
18	C21 H38 O1 N2	335.3057	335.3062	0.26054475	335.3058	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18866	46251	0	0	0	8996	23435	21130	20081	0	9978	0	13185	13463	0	0	0	0	0	0	0	0	0	0	0	63651	2452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20300	58816	75031	9083	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.04761905	1.8095238	0.0952381
10	C12 H17 O10 N1	336.09253	336.0932	0.41040787	336.09265	3162	2318	1906	2301	14277	4356	0	0	12612	0	0	0	42537	3155	970	0	1808	17409	16837	0	0	0	2528	0	0	0	0	0	1083	0	0	0	0	0	0	0	0	0	0	0	0	8011	0	0	0	0	0	0	0	1709	1671	3144	7851	0	19155	21590	4594	0	0	0	0	0	27000	18168	4442	13614	3308	0	0	0	0	0	0	1166	2040	0	0	1434	0	0	0	0	0	0	16259	3054	1567	6314	5412	1471	0	0	0	0	0	0	2609	4383	10350	16840	23017	2801	1399	0	0	1584	13158	0	0	30623	Unclassified	0.8333333	1.4166666	0.083333336
12	C12 H17 O10 N1	336.09253	336.09323	0.45291594	336.09268	0	0	0	0	6549	4969	0	0	9587	0	0	0	16605	1729	0	0	0	11804	8132	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4350	0	0	0	0	0	0	0	0	0	0	6306	0	14438	12003	3387	0	0	0	0	0	19130	9601	1688	9337	2777	0	0	0	0	0	0	0	0	0	0	1181	1307	0	0	0	0	0	8395	1489	1320	2766	0	0	0	0	0	0	0	0	0	0	6083	9450	9966	0	0	0	0	1349	4799	0	0	26078	Unclassified	0.8333333	1.4166666	0.083333336
4	C9 H21 O10 N1 S1	336.0959	336.0967	0.558006	336.09607	0	0	0	0	0	0	0	2436	508	0	0	0	0	0	7252	0	0	0	0	0	0	0	742	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16578	1051	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6153	624	0	0	0	0	0	0	0	0	0	0	0	9914	0	0	0	0	0	0	0	0	0	533	0	0	0	0	0	573	430	473	0	0	0	0	0	0	0	0	0	0	0	2472	0	0	0	2075	0	0	0	0	0	343	0	Organosulfur	1.1111112	2.3333333	0.11111111
20	C15 H17 O4 N3 S1	336.10126	336.10175	0.31328136	336.10135	6061	7278	3992	5666	0	0	5457	21170	0	0	0	44381	0	0	4986	30946	17455	0	0	0	0	0	17801	8401	1876	0	6634	0	17671	66312	46238	38054	16086	0	0	52190	16312	2288	8107	0	0	2184	0	0	0	0	0	0	39956	56381	6669	8535	0	0	0	0	0	10672	0	0	13812	0	0	0	0	0	0	17817	0	0	1660	0	0	11444	108275	72726	0	28624	0	0	2834	0	0	0	0	0	0	7253	3421	0	0	0	0	0	0	0	7648	7903	0	0	0	58323	32398	0	0	86284	0	0	0	0	Peptide	0.26666668	1.1333333	0.2
18	C15 H17 O4 N3 S1	336.10126	336.1017	0.36085418	336.10138	2418	0	2811	2736	0	0	41159	0	0	0	0	4212	0	0	7713	2826	189495	0	0	0	0	0	2013	1611	4559	0	42709	0	0	2664	3124	5610	0	0	0	4768	0	14543	205493	0	0	0	0	0	0	0	0	0	3486	5109	3330	3219	0	0	0	0	3850	0	0	0	2153	0	0	0	3623	0	0	233534	0	0	0	0	0	0	13094	8866	0	2408	5971	0	17426	0	0	0	0	4864	2459	0	0	0	0	0	0	0	0	0	4962	4984	0	0	0	5996	3262	0	0	6496	0	0	9022	0	Peptide	0.26666668	1.1333333	0.2
8	C7 H18 O5 N7 S1 Na1	336.10605	336.10693	-0.20936528	336.106	0	0	862	898	0	1366	1104	1284	1529	0	0	1678	0	0	819	1764	1138	1801	1309	1352	0	1831	1138	0	0	0	1190	0	0	0	848	1319	0	909	2670	0	2541	1422	2156	0	1811	729	0	0	0	0	0	0	1027	0	1399	0	1221	0	1153	861	859	0	4335	1550	0	0	0	2096	0	1383	1578	1072	0	0	0	0	924	0	44258	1675	0	1095	0	0	888	1757	1151	0	1245	0	1428	1640	1846	2170	0	0	0	0	0	0	1262	0	0	645	0	1276	1175	2674	0	0	0	0	0	2159	Organosulfur	0.71428573	2.5714285	1.0
14	C13 H21 O7 N1 S1	336.11115	336.1116	0.18055314	336.1112	4957	2191	4987	3143	4880	21642	2736	8042	7363	0	1464	1217	8393	2301	2385	6002	3177	7382	5887	3012	3682	5810	3227	6016	3251	1858	1893	0	8157	4105	6633	8205	8566	8055	2971	4348	5733	2189	2710	2191	0	3794	0	0	0	1998	3729	0	7770	3947	3380	0	5183	0	4837	4672	2403	7713	0	0	0	2112	2550	2835	2779	8929	6463	1411	0	0	0	4493	3457	3673	0	3463	0	3006	0	0	3677	1104	1791	1191	3863	3380	2710	4398	6248	5219	3273	7758	6764	0	4048	0	4487	4313	2195	2476	4985	12241	2207	4573	0	5508	3191	0	2099	3737	Organosulfur	0.53846157	1.6153846	0.07692308
14	C15 H17 O6 N3	336.11902	336.11954	0.24676563	336.11908	11607	12189	11252	16841	10772	12110	8956	12303	8090	7050	11649	8023	10189	6508	14666	21563	16495	17154	17428	10179	11115	22341	11814	18240	13520	25941	11810	0	8771	10174	8833	9061	25277	9274	15062	8242	17149	15661	20812	19062	17286	12336	0	0	0	9373	14364	0	14940	10848	9763	12002	14649	470	12214	5593	8127	16488	12761	8618	0	14643	10971	11299	7907	11592	14292	18989	0	22188	22633	7613	7598	6994	10866	9519	0	10749	19396	0	12915	10435	9852	9188	9802	6907	18368	11824	9858	48757	14295	21033	30990	12565	15316	0	12951	10315	7722	7113	5882	12407	11039	14082	0	20025	7341	0	17148	15788	Peptide	0.4	1.1333333	0.2
18	C20 H17 O4 N1	336.12305	336.12357	0.34880513	336.12314	1701	0	0	0	1168	0	0	0	0	0	5914	1090	0	0	0	2065	0	0	0	1983	0	0	0	0	0	22954	0	9832	0	0	0	0	0	0	3414	0	0	1094	2450	3047	8222	1985	0	0	0	4306	3593	0	0	1319	1845	1777	0	0	0	0	0	1764	0	0	0	1238	0	0	0	0	0	0	18900	10799	30107	0	0	0	0	0	0	0	0	2672	0	3286	0	2538	1645	1749	1659	1250	0	4443	0	0	3469	3348	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.2	0.85	0.05
20	C20 H17 O4 N1	336.12305	336.1235	0.28550178	336.12314	0	2231	1554	0	0	0	0	0	0	0	7605	0	0	1958	0	0	0	0	0	2771	0	2703	1413	0	1433	21034	0	9794	0	0	0	0	2136	0	1708	1827	0	0	0	0	9233	1641	0	0	0	1658	6896	0	2300	0	1923	1608	0	0	0	0	0	0	0	1295	0	2518	0	0	0	0	1570	1246	25417	9556	25459	0	0	0	0	0	0	0	0	4949	1335	3200	1516	0	0	0	1899	1326	0	2892	4155	0	3194	3440	1869	0	2887	0	0	0	0	0	0	0	4223	0	1656	0	0	0	Phytochemical	0.2	0.85	0.05
0	C13 H21 O9 N1	336.1289	336.1296	0.279291	336.129	3548	2716	3351	2360	2040	0	0	4483	2278	0	0	0	4473	0	0	0	0	7501	3036	0	0	0	0	2222	1713	0	0	441	4860	2309	3948	4188	6452	27776	0	3096	5765	0	1119	0	0	1644	0	0	0	0	0	0	5074	2552	1736	3697	1638	0	2177	0	0	2012	469	0	3079	0	7361	2127	0	8944	4297	0	0	0	0	23290	16318	4080	0	3574	0	1451	0	0	0	0	0	0	0	0	0	6171	4009	0	3905	2235	2833	0	0	0	2549	2771	0	0	0	3225	0	0	0	3887	0	0	0	8444	A-Sugar	0.6923077	1.6153846	0.07692308
12	C14 H25 O6 N1 S1	336.14752	336.14792	-0.009779236	336.14752	1470037	3385294	1643313	1558399	1498314	678237	1035713	1480257	890379	3059364	1570638	746912	834864	412983	917718	1552815	1174926	1301215	1566942	3448247	3617844	2662869	973966	1565087	943260	2427933	820253	1344312	1298216	1170699	1193618	1481333	1681314	2547622	3721668	1294462	1734937	850260	2898204	2998737	2819139	826179	22215	6540	6951	1674222	1752666	7227	1547447	1327398	1600284	1578333	844145	7608	1333536	610008	552757	1452264	1243029	1178277	1457193	1728864	1138645	968456	427365	984966	835009	1276242	2350590	3993210	3673176	1166691	1239435	1237356	1162250	1320207	4467	909929	1005158	999891	1856922	1250957	2434761	1624116	708642	583029	1038301	762485	1847146	1684821	1644810	1984697	2005837	1392969	2284391	13470	1637389	1742969	665868	571238	598896	1607470	808498	1715955	948744	1384076	661289	6291	931778	1321362	Organosulfur	0.42857143	1.7857143	0.071428575
14	C14 H25 O6 N1 S1	336.14752	336.14795	-0.049368825	336.14752	4967	5720	4585	5132	1830	3554	0	16831	0	0	0	4849	5290	0	3184	7660	0	2174	4408	0	2355	0	4797	8102	4536	0	2830	0	15663	13641	23737	35537	88081	39774	0	20565	34779	1390	1170	0	0	6607	0	0	0	2575	0	0	15155	6227	4207	3827	3781	0	0	2512	1189	13801	0	0	0	0	0	1507	1045	14445	10415	1311	0	1737	2319	19614	12420	8207	10780	8114	0	8093	1748	0	1112	0	1072	0	0	0	3046	6900	6024	0	6607	0	3633	0	0	0	9362	7761	881	0	0	54274	5320	0	0	13182	0	0	1768	0	Organosulfur	0.42857143	1.7857143	0.071428575
12	C16 H21 O5 N3	336.1554	336.1559	0.18262284	336.15546	36242	36585	40683	33513	14938	16826	30517	53699	13357	22883	15791	33004	13120	6626	35269	51253	47233	20900	27677	42683	38058	64153	39677	53266	0	13159	32417	25111	51387	33994	42381	42642	48389	46407	36456	36743	47557	33373	60926	41397	47740	19420	290	0	0	46412	47229	0	46340	36912	35920	41778	20783	0	18038	6895	16204	47693	39776	52263	38550	27008	17376	17152	11220	14978	20942	57362	0	27018	20915	42417	38414	39256	34444	35799	0	32211	37709	33408	32753	32923	39581	22946	9106	16957	42429	24363	26961	84987	60787	54141	78339	33701	35084	0	41899	37619	11155	8542	9993	52662	29906	48758	27048	51192	13390	0	40416	22406	Peptide	0.3125	1.3125	0.1875
0	C16 H21 O5 N3	336.1554	336.15613	0.13991386	336.15546	12207	12255	9981	9828	5701	0	7560	17552	6358	6004	4175	10775	4915	0	9075	0	16366	9850	9204	7309	13683	14494	10957	10219	5143	2116	0	4947	11560	6601	13524	12697	17305	14831	10583	13997	17331	7735	20407	8707	11896	13654	0	0	0	7099	5203	0	13227	8206	10951	9398	7768	0	7799	3586	4281	15591	5691	10378	5789	4666	6938	7643	7127	7842	13707	22039	2158	3861	4258	10692	13981	10605	2128	15112	0	8950	8955	16759	7596	3144	5944	3205	4397	5613	9992	8918	11370	17250	7587	12711	25757	9533	1816	0	11088	10342	2504	2215	3029	11733	4912	10818	4413	17555	4707	0	8488	10171	Peptide	0.3125	1.3125	0.1875
2	C13 H25 O5 N3 S1	336.15878	336.15936	-0.11531944	336.15872	6086	7232	4617	4468	0	0	0	0	0	709	8085	0	0	0	841	268	0	0	0	0	0	451	361	840	604	0	0	73544	779	527	539	0	1292	0	0	0	0	600	1175	0	0	0	0	0	0	0	0	0	920	0	5696	5853	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	732277	0	0	0	0	0	286	0	0	0	0	215859	99615	0	39867	0	0	5356	4659	0	0	0	815	0	247	0	0	0	0	448	0	Peptide	0.3846154	1.9230769	0.23076923
0	C13 H25 O5 N3 S1	336.15878	336.1593	0.060929734	336.15878	0	1741	2547	0	0	0	0	1331	0	0	1330	0	0	0	0	0	948	0	0	0	0	0	0	0	0	0	0	61668	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2480	2023	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	389794	0	0	0	0	0	0	0	0	0	0	48909	16509	0	21653	0	0	2902	2416	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3846154	1.9230769	0.23076923
16	C14 H25 O8 N1	336.16528	336.1658	0.31104198	336.1654	0	3261	0	0	7961	6816	4138	3521	10962	0	0	1563	12430	5307	8438	0	4117	14279	12699	0	0	0	3522	0	4089	0	0	0	4432	4882	3899	0	4349	3983	0	4519	7940	2694	4500	0	0	3291	1448	742	407	2143	0	521	3480	2567	3721	3893	6578	655	26287	8484	4687	3330	3911	0	0	0	8694	11024	3909	8924	5263	0	0	0	0	1813	1466	3798	3623	3450	707	2013	0	0	2043	0	2559	0	5960	7989	9482	2979	4148	0	0	3930	0	0	0	0	3942	5171	5613	3326	7146	5418	3323	0	0	0	7862	645	2969	13102	Lipid	0.5714286	1.7857143	0.071428575
14	C14 H25 O8 N1	336.16528	336.16586	0.3090609	336.1654	4679	0	0	0	6298	8809	0	4522	18666	0	0	2678	19129	6492	6099	0	4291	16556	10998	0	3133	0	4558	0	4067	0	0	0	8990	6300	4479	0	9029	0	2706	8515	6305	6249	3500	0	0	6165	0	0	0	0	0	0	0	0	0	0	8040	0	29663	13520	4144	0	0	0	0	0	11375	9343	6680	9627	8670	4437	0	1895	0	2594	0	7630	4471	0	0	4060	6458	0	2666	2600	0	0	11568	9603	5951	0	4503	0	0	6216	3272	0	0	0	5020	0	8670	11278	16477	0	3014	3385	0	0	10230	0	2671	17228	Lipid	0.5714286	1.7857143	0.071428575
8	C14 H25 O8 N1	336.16528	336.16583	0.24513413	336.16537	63275	64323	8279	61473	8838	7099	7463	12718	14639	2840	40892	9018	18427	5333	14572	13227	7928	17089	28712	94536	93276	82492	11460	12059	8350	38375	5219	10585	15513	16130	7540	13766	8585	9574	6124	14872	14817	10121	8790	73350	71992	7772	0	0	0	2205	60672	0	78387	10749	59682	11706	9168	0	25816	14591	7733	10644	32928	5547	11537	3105	40249	12014	8973	10356	7878	87190	0	6845	90447	11594	10051	11768	11440	9298	0	7774	9598	7749	9316	3341	7121	2762	28932	10777	13064	7093	9452	7568	14411	79480	102343	0	65021	0	9624	61069	22308	28635	18890	13899	37928	12031	0	6191	16393	0	6041	50858	Lipid	0.5714286	1.7857143	0.071428575
0	C18 H25 O5 N1	336.18054	336.18124	0.10792301	336.18057	6417	8044	8529	7670	1470	0	9404	15572	1611	6099	4591	31021	0	0	19518	5488	14816	3228	3342	6209	11504	6836	9434	8088	7627	5575	4206	5147	14072	4837	7895	8419	10399	15248	8953	14893	9442	19157	17270	6401	7709	6616	0	344	520	4935	5261	0	11024	11657	7044	7519	2952	0	2849	1553	2643	10720	4284	7524	8167	6238	0	1802	6164	2236	3266	13883	7143	4167	5961	10403	14836	13135	2748	12546	0	30178	8419	6529	8278	4378	7865	4867	1648	2864	6119	4674	5449	10312	5714	6781	9914	7736	2589	0	9218	7754	1568	756	1315	8650	18482	7542	4532	10064	1614	365	14282	1628	Lipid	0.2777778	1.3888888	0.055555556
2	C17 H25 O4 N3	336.19177	336.19244	0.16011052	336.19183	12974	17026	13131	14436	4818	0	14234	18768	3658	11827	6637	12558	2547	3005	16017	13636	19744	6828	7650	13828	16274	18205	14234	17917	15635	3319	8774	8263	18008	15564	17563	19153	19907	16774	15105	17434	18270	13809	22011	16187	17002	6877	0	0	0	10716	10499	0	19389	16471	15738	12739	6743	0	6054	1638	4167	18132	6793	5714	13855	9040	3409	4962	4558	6257	7596	27159	3643	6724	7216	15287	15770	18461	13312	16431	0	12364	15896	10038	13287	5216	10169	10467	3245	6160	14723	8787	9309	33911	24692	22330	37240	11605	11357	0	14811	17229	3025	1959	2296	16685	10039	20812	6976	17212	4135	0	14882	4193	Peptide	0.23529412	1.4705882	0.1764706
12	C17 H25 O4 N3	336.19177	336.1923	0.19812362	336.19186	17624	19686	16396	18803	1733	16482	4575	5639	1307	9076	24893	5800	0	1032	5797	6251	12808	0	2846	4074	6403	10413	2116	12131	6603	2982	2055	48082	9005	7301	7745	9395	10616	7937	5817	6914	9744	5356	12854	7398	5782	2868	0	0	0	9598	8830	0	8278	7389	18747	14183	3429	0	0	0	818	7728	0	0	0	2949	2170	1123	2364	1787	2633	13310	0	3189	3890	5356	7531	9088	7453	8700	0	5788	6560	168636	4646	2415	3190	5077	0	1545	6438	3001	2689	26749	1255099	213933	15526	75219	9578	0	16297	18669	0	1203	0	6191	5288	6605	0	9546	1475	0	7835	1400	Peptide	0.23529412	1.4705882	0.1764706
2	C15 H29 O7 N1	336.2017	336.20242	0.1894985	336.20175	3600	2932	3011	2015	11311	0	0	2958	2325	810	0	1057	8291	31263	763	1355	937	5818	5693	0	611	0	828	1126	1322	0	0	0	1330	535	1750	1250	3873	1654	1073	1210	2777	1455	929	0	0	10156	0	0	0	0	374	0	2881	1444	0	1868	15812	0	2586	4612	10637	1654	0	0	1489	0	2270	1204	0	8268	20097	988	0	0	0	2783	1860	1382	1181	1428	0	586	753	2811	937	0	0	0	1299	2043	1738	1249	1856	0	14095	9240	2641	0	0	0	2924	0	3440	3634	3464	2040	0	681	774	822	8225	0	0	7193	Lipid	0.46666667	1.9333333	0.06666667
20	C15 H29 O7 N1	336.2017	336.20187	-0.13578339	336.20163	0	3467	0	1904	0	0	1420	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2464	867634	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2812	0	308	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4360	2102	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.46666667	1.9333333	0.06666667
6	C15 H29 O7 N1	336.2017	336.20227	0.19222969	336.20175	1498	2214	0	1550	502	0	0	761	522	0	0	0	690	2086	931	1992	0	1065	1092	0	0	8529	2158	3190	891	0	0	0	0	0	0	0	0	0	0	0	0	1628	1525	0	0	0	0	0	0	0	0	0	0	0	1842	2626	0	0	1491	534	0	2556	0	0	2539	0	685	0	0	2186	1202	0	0	0	0	1328	1551	1722	957	1348	0	0	7471	0	3963	530	317	0	1121	1411	47373	0	944	14006	0	0	33455	0	0	0	1504	0	628	1131	1033	0	0	0	0	5618	1067	0	893	1813	Lipid	0.46666667	1.9333333	0.06666667
18	C15 H29 O7 N1	336.2017	336.2019	0.08017697	336.2017	0	0	0	0	0	0	2144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	362724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	890	0	427	0	0	0	0	0	0	0	0	1189	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	489	0	0	1615	0	0	0	0	0	0	0	0	0	0	8241	2752	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	340	0	0	Lipid	0.46666667	1.9333333	0.06666667
4	C16 H25 O3 N5	336.203	336.20334	-0.09332323	336.20297	2416	3355	2049	2192	20574	12900	717	2979	2160	0	0	1131	5379	2485	5015	1554	1276	1161	2954	0	0	0	1749	1487	2488	0	0	103671	0	0	3300	0	1577	1380	0	989	0	5205	0	0	0	1104	0	0	0	0	0	0	0	1350	2264	2945	7179	0	4040	2201	4195	0	0	0	1668	0	2078	2467	1566	12069	0	0	0	0	0	1517	0	1628	0	0	0	1541	1269	21424	1033	0	0	0	0	4447	7554	938	789	3291	505743	4969	3493	0	0	0	2901	1856	2421	1059	1448	1393	2308	0	0	0	2601	0	1153	1094	Peptide	0.1875	1.5625	0.3125
6	C16 H25 O3 N5	336.203	336.2033	-0.04187017	336.203	0	0	0	0	0	117863	0	0	0	0	6117	0	0	0	0	1549	0	0	0	0	0	0	0	0	0	0	0	15030	0	0	1048	0	942	1203	0	0	1643	0	0	0	0	3487	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	695	0	0	0	0	0	0	0	0	0	0	0	0	131237	27757	0	0	1956	0	0	2825	0	0	0	0	2526	0	0	0	0	0	0	0	Peptide	0.1875	1.5625	0.3125
2	C19 H29 O4 N1	336.21695	336.21765	0.23869309	336.217	16162	18376	14844	15090	1160	0	16514	44908	485	13593	7001	19310	728	0	17717	32765	26183	2266	3686	21698	16908	16512	13389	31954	18104	5356	18312	5772	30399	33421	28182	30869	22070	25062	15493	33259	25889	12661	24038	17129	15592	5129	0	0	0	12241	15463	0	31471	39767	16253	15139	2795	0	1036	227	2405	25447	1738	2619	23941	8283	657	1450	2774	1334	6410	30963	5109	5982	6824	28112	29398	51317	31106	29176	0	18274	13974	13359	12052	4155	7151	11518	849	2896	12943	3560	7071	37469	22033	12656	39186	12118	24509	0	15502	20230	716	0	0	23114	14023	33377	5647	21307	352	0	16153	668	Lipid	0.21052632	1.5263158	0.05263158
14	C16 H30 O3 N3 Na1	336.22577	336.22626	-0.08796999	336.22574	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3640	0	0	2067	0	0	0	0	2164	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29528	0	0	0	0	0	0	0	0	0	0	24464	0	0	0	0	0	0	0	0	0	5042	0	0	0	0	0	0	0	0	0	0	0	2699	0	3320	0	0	0	0	0	0	Peptide	0.1875	1.875	0.1875
24	C16 H33 O6 N1	336.23807	336.23856	0.34421498	336.2382	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19240	0	0	13899	0	0	3032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2173	0	0	0	0	0	0	0	0	0	0	0	0	0	36562	0	0	0	0	0	Lipid	0.375	2.0625	0.0625
8	C20 H33 O3 N1	336.25333	336.2539	0.26677492	336.25342	5362	7288	9405	9087	0	1721	7601	28226	0	3565	4291	8306	0	0	10574	19595	5777	0	2251	7397	4901	5433	6247	12561	13570	853	8367	0	16094	15085	12956	11646	12426	11604	6524	15198	10875	9481	4497	9315	0	2701	0	0	0	4855	3470	0	19802	24279	6367	7367	1997	0	0	0	1125	17237	0	0	10841	3248	0	0	2002	1083	1700	7911	0	2664	0	16446	13670	16280	9456	14796	0	8853	6264	2860	3160	0	0	5778	0	0	14134	3575	4419	55342	23767	0	32087	5918	11624	0	6650	8558	0	0	0	12556	6236	6910	0	13573	0	0	10213	0	Lipid	0.15	1.65	0.05
22	C20 H33 O3 N1	336.25333	336.25375	0.23365755	336.2534	4569	0	3741	5286	0	0	4068	3445	0	0	1988	4315	0	0	3408	14935	5408	2835	3966	0	0	5408	1271	10529	8043	4586	4675	0	6281	17904	3748	8326	4163	5238	1536	11840	3174	4048	8054	1693	2245	2479	0	0	0	4665	3740	0	4004	11655	3663	1977	1420	594	0	1282	0	10507	1330	5763	8589	0	0	0	0	1949	1503	12459	0	0	0	2869	5631	6848	27051	18621	0	3009	4380	6385	3104	2768	2265	3412	0	0	7837	3396	1314	33339	12105	5041	11111	3987	4691	0	1726	5781	0	1502	0	4904	1966	3921	2840	4519	1320	0	7131	0	Lipid	0.15	1.65	0.05
10	C20 H33 O3 N1	336.25333	336.25388	0.23929636	336.2534	13604	16771	13723	14722	1772	2319	38663	38494	1988	5249	3672	18685	0	0	14727	32744	9241	2185	6560	6332	6397	7664	8185	15385	27458	2266	62424	5068	26145	33107	34324	25322	16527	25074	6939	22418	21301	10356	8691	2900	0	3782	0	0	0	3590	2184	0	39695	25745	14437	13476	5533	0	4795	779	1883	37297	0	0	28878	2238	0	930	2817	0	5735	13649	0	4681	1489	32730	21699	23570	21589	23356	0	18115	13612	7608	14808	0	0	4267	0	1932	17059	2411	6410	146665	24753	0	53825	9407	14157	0	13241	15615	1640	0	790	18234	19487	7023	0	21994	870	0	21652	1261	Lipid	0.15	1.65	0.05
16	C20 H33 O3 N1	336.25333	336.25378	0.40825406	336.25345	1635	0	0	1778	0	0	2800	0	0	0	2001	1993	0	0	2370	6528	1410	2191	0	0	0	0	0	0	5093	0	3716	0	3971	3326	2355	0	7486	2641	0	1854	6755	2045	1417	2383	0	0	0	0	0	0	0	0	2085	1608	0	3400	0	0	0	0	0	7905	0	0	0	0	0	0	0	1655	0	2430	0	1576	2014	3759	3379	2705	0	3768	0	3420	2087	0	0	0	0	0	0	0	8496	3059	1291	68621	20290	0	0	0	2506	0	2402	0	0	0	0	6288	0	0	0	0	0	0	1222	0	Lipid	0.15	1.65	0.05
14	C20 H33 O3 N1	336.25333	336.2538	0.31238	336.25342	5134	8046	5627	6067	1384	3268	17115	9491	1504	0	0	3679	0	1898	6834	14858	3677	2035	3686	2915	4864	0	4780	11147	26058	3471	25677	0	11214	12416	12346	11020	4533	7728	3118	12518	8597	7945	2773	4600	0	3300	0	0	0	2812	0	0	13713	6672	4962	5404	3978	0	0	2208	1827	22968	0	0	0	0	1751	0	0	0	4646	9867	0	3041	3390	11293	5301	6302	7224	6470	0	6329	1638	0	1840	0	0	1022	0	0	10261	2668	6333	53140	30775	0	27173	4701	9309	0	5738	7135	0	0	0	5079	4973	0	0	12515	0	0	5483	0	Lipid	0.15	1.65	0.05
12	C20 H33 O3 N1	336.25333	336.25388	0.2716325	336.25342	13078	11269	13172	9220	1068	1766	22594	77047	0	4747	10446	49977	0	1258	10665	63604	12536	1465	2302	9537	6091	5811	4399	7401	22788	7796	26374	0	23843	46421	52915	19750	19546	11538	7420	22449	20867	7937	6284	7746	0	5482	0	0	0	2529	0	0	40976	74696	15975	10899	3323	0	1327	0	2516	40245	0	0	39597	0	1877	1241	3520	2687	4662	19290	0	11290	5383	21745	20025	38389	15302	24147	0	32455	7152	0	7219	0	0	4456	0	2746	20753	4518	6532	88363	49930	0	32690	11298	18459	0	14736	10300	0	0	0	11707	39576	3729	0	21599	0	0	13508	1589	Lipid	0.15	1.65	0.05
18	C20 H33 O3 N1	336.25333	336.25357	0.2617273	336.25342	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1346	0	0	0	2229	0	0	1665	2247	1799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1949	0	0	0	0	0	0	0	0	0	0	0	0	2036	1696	0	0	0	0	0	0	0	0	0	0	0	0	1078	0	29652	8406	0	3192	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.15	1.65	0.05
14	C21 H37 O2 N1	336.2897	336.29016	0.31302407	336.28983	5767	5568	3797	3787	0	0	0	5698	0	0	0	7264	0	0	10426	0	0	0	0	0	0	0	9274	3559	13435	0	1747	0	8076	17781	5175	65682	15704	46752	0	136181	11685	8552	0	0	0	0	0	0	0	0	0	0	7791	10402	3181	2892	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7329	24537	76110	6623	19451	0	14403	2188	0	2795	0	0	0	0	0	3772	0	0	0	0	0	0	0	0	0	5184	2515	0	0	0	10766	9951	0	0	1269	0	0	4962	0	Lipid	0.0952381	1.7619047	0.04761905
28	C19 H37 N5	336.31216	336.31247	0.32042304	336.3123	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5402	0	4361	0	0	0	0	0	13327	0	0	0	0	0	0	0	0	0	0	0	0	23216	3966	0	0	0	0	0	0	0	0	0	Unclassified	0.0	1.9473684	0.2631579
16	C15 H12 O7 S1	337.03766	337.0382	0.42335552	337.03778	2494	0	2410	3312	7943	3580	1785	0	4293	6161	8412	0	11760	1875	0	0	0	8342	9424	4350	3421	18201	0	0	0	3078	0	4547	0	0	0	0	0	0	10187	0	2507	0	0	8866	10342	2904	249	0	0	0	0	0	0	0	3603	0	4398	0	4583	2799	2324	1547	0	1622	0	5235	4271	5595	2265	5116	1642	0	5597	9561	10557	0	0	0	0	0	0	0	1987	16287	0	2238	1543	3627	3788	1957	2021	1415	1678	0	0	7734	0	20842	24611	0	4520	1812	2479	6636	5120	0	0	0	0	0	6211	0	1211	7331	Organosulfur	0.46666667	0.8	0.0
22	C15 H12 O9	337.05542	337.05597	0.42328578	337.05554	5472	6424	5579	7998	22188	11631	0	0	22286	0	2498	3220	38198	17617	3340	2400	0	31336	24788	0	0	5881	6295	2366	1895	0	1178	0	0	1157	0	0	0	0	1581	0	1872	3395	0	0	0	3428	0	0	1694	1842	3224	0	1239	0	8709	5196	13354	1068	27541	19879	7369	0	1197	0	1350	1754	43433	23445	7304	29378	6015	0	0	0	0	0	0	0	0	0	1260	1682	9434	6097	11170	2065	0	0	37112	13879	7512	8445	7395	2704	0	0	1794	4736	6177	0	6751	6872	13181	32678	24876	3282	2953	0	0	2562	15267	0	3886	47549	Phytochemical	0.6	0.8	0.0
6	C15 H12 O9	337.05542	337.0561	0.39143312	337.05554	5326	5045	3157	3188	15121	4340	646	742	16830	3189	2805	1409	27751	3552	1428	1898	0	13091	14977	2991	5664	5051	3343	2143	0	0	0	0	0	0	795	0	0	0	3775	0	1693	1619	816	0	1828	3945	0	0	0	2127	1470	0	0	589	3877	5338	9334	0	16163	20096	6777	1655	0	1290	1591	1686	31996	19552	4032	18743	5786	0	0	0	0	0	0	578	1128	624	0	990	3904	0	2326	962	369	0	17618	3590	3509	6568	4923	1030	0	0	1464	5769	3265	0	4746	4508	14741	31880	28060	2514	1302	0	0	942	13116	0	0	33995	Phytochemical	0.6	0.8	0.0
26	C15 H12 O9	337.05542	337.05585	0.3885905	337.05554	4927	3023	3446	4241	10958	8006	1455	0	15450	0	0	0	25007	8310	0	0	0	21981	14285	0	0	2303	0	0	0	0	0	0	0	0	0	0	1635	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4969	3697	8934	0	17245	12710	3457	0	0	0	0	0	30835	12848	4181	12559	2918	0	0	0	0	0	0	0	0	0	0	0	5324	0	7000	0	0	0	18521	12361	3547	3111	3199	0	0	0	0	0	0	0	2810	0	6379	8458	13221	0	0	0	0	1475	9407	0	0	29902	Phytochemical	0.6	0.8	0.0
4	C9 H12 O10 N4	337.06262	337.0635	0.58846766	337.0628	509	0	0	0	0	0	3130	0	0	0	0	0	0	0	0	0	4985	0	0	0	0	0	0	0	0	0	2227	0	0	0	0	0	0	0	0	0	0	0	8062	0	0	0	0	0	0	0	0	0	0	0	470	0	0	0	1157	0	0	0	0	0	0	0	0	277	0	0	0	26441	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	1.1111112	1.3333334	0.44444445
26	C14 H12 O8 N2	337.06665	337.06702	0.35944176	337.06677	0	0	0	0	0	0	0	0	0	0	4698	0	0	0	0	0	0	0	0	0	0	2114	0	0	0	0	0	8620	0	0	0	0	2104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6366	0	0	0	2218	0	0	0	0	0	0	0	0	0	0	2166	0	0	26633	0	0	0	0	2176	0	0	2190	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7995	1761	0	0	0	2901	Unclassified	0.5714286	0.85714287	0.14285715
16	C14 H12 O8 N2	337.06665	337.06723	0.4337208	337.0668	3641	2650	4170	3192	8221	2579	0	0	5935	3320	0	3123	12306	2712	0	3717	0	8061	7655	0	2560	6673	5201	0	0	0	0	0	0	0	0	0	2977	0	3191	0	0	1975	1963	1300	7972	2688	428	0	0	0	1491	0	1881	0	5181	3092	6959	0	4966	6122	1968	0	1327	1528	0	2497	12519	6223	4809	7696	4741	2282	0	0	0	0	0	0	0	0	0	0	3505	0	5437	0	0	0	6597	3041	1815	7704	3863	0	0	0	0	8540	0	0	3467	2547	2913	5504	1777	1605	1164	1970	0	0	2597	0	0	20354	Unclassified	0.5714286	0.85714287	0.14285715
16	C19 H12 O6	337.07068	337.07123	0.43506563	337.0708	3038	6235	3764	3351	4766	2098	1386	0	5112	15452	12053	0	0	2031	1313	2014	2362	2442	6750	6713	7877	7978	3300	1570	0	13089	1181	5633	0	0	1965	0	1968	0	21034	0	2192	1976	0	4595	6792	2317	0	0	0	4688	3496	0	0	0	7125	5003	2151	0	3464	3640	3404	4601	0	0	0	2988	6338	3132	2909	3525	3969	1729	10690	15247	23232	0	0	0	0	0	0	0	3044	7295	2488	6212	1242	3965	4551	3189	5587	2804	4969	0	5600	4106	0	12634	18452	0	2552	4864	5742	3607	2876	1950	0	0	0	0	2839	0	1573	4829	Phytochemical	0.31578946	0.6315789	0.0
12	C7 H17 O6 N6 S1 Na1	337.0901	337.0908	-0.26724035	337.09	4160	0	3041	0	8464	7190	5496	1640	7591	5692	5929	2883	5679	6672	2597	0	2958	4591	6568	6293	5323	0	3337	0	2296	5505	0	0	3822	1360	4623	1940	8482	2483	7194	1770	3017	5492	2038	11273	10220	3691	2064	0	0	0	0	0	0	2464	3939	3653	9817	0	5418	6420	6696	0	7562	0	0	17577	10708	8178	5777	9397	13659	0	0	0	10321	1602	4844	1060	22315	3970	0	3653	4261	0	4369	5991	4442	4938	4052	6910	3970	6478	5534	0	0	5010	0	8788	0	577	6116	3603	11248	8099	6932	0	3998	0	0	4205	13198	420	2650	10026	Organosulfur	0.85714287	2.4285715	0.85714287
14	C21 H20 O2 S1	337.12567	337.1262	0.54455453	337.12585	0	0	0	0	1854	0	15657	0	0	0	0	0	3398	5885	2867	0	41718	0	0	0	1995	0	0	0	0	4136	14898	0	0	2600	0	0	3980	0	2255	0	0	4500	59589	0	0	0	8296	3623	2958	0	0	4320	0	0	0	0	0	6402	0	4536	2328	4422	0	0	0	0	0	0	7628	0	0	42279	0	3408	5134	0	0	0	42825	2418	887	2429	5537	0	10067	0	0	0	4512	6946	5017	0	0	10301	6577	0	0	0	0	7448	0	0	0	0	0	0	0	0	0	0	8670	5130	5896	0	Organosulfur	0.0952381	0.95238096	0.0
12	C21 H20 O4	337.14343	337.14383	-0.14599308	337.14337	8352	9769	4540	6218	3184	2540	7156	7260	1628	4632	4543	6550	3430	1403	3812	7999	9212	1437	6722	10406	4418	5331	5259	8347	5594	6620	7678	26035	5730	6103	5277	6782	4545	4758	5963	6102	4489	6228	10505	5297	4717	2343	679	0	373	6385	9259	443	5917	7293	7424	9474	2273	0	2662	2374	4246	4102	5737	12481	0	2536	3614	2543	1369	3835	2464	9143	0	8551	7034	4832	6907	9342	8857	6434	0	3616	8911	0	6821	7004	6520	3673	4255	2635	5083	2511	3060	11276	8835	9303	5537	0	4588	619	9016	7116	4361	3640	3458	6054	7032	9837	0	6434	2668	0	4590	1739	Phytochemical	0.1904762	0.95238096	0.0
8	C15 H20 O5 N4	337.15063	337.15112	-0.0968405	337.1506	9246	9513	7956	10540	2956	2824	6960	11184	3536	6037	2800	9984	2636	1456	9240	14480	12666	5021	6247	7922	5780	12806	9372	14694	10229	1406	7280	0	11148	11518	10559	12362	12278	13903	5567	13342	14529	10093	12874	6329	7121	4699	0	0	0	7140	6928	0	13296	12613	9279	8793	3294	0	3931	1501	3743	13421	6906	8810	8993	5299	4629	3845	2479	3739	5204	17696	0	3058	2695	15275	10185	12415	8690	13015	0	8897	9152	0	9765	3072	7360	4768	2570	4236	14230	4658	4998	18187	0	15072	20844	4464	6326	0	9417	10253	2807	1551	2042	11221	6862	8686	0	13681	2511	0	10550	5682	Peptide	0.33333334	1.3333334	0.26666668
4	C15 H20 O5 N4	337.15063	337.15128	0.100244224	337.15067	7006	8019	8070	7622	4587	4363	6926	10213	6493	4682	2676	5156	6101	2275	8585	8872	14288	7983	7174	5362	5348	12266	8807	9741	7801	1452	5155	4834	8819	4827	6178	7861	9197	6230	6102	6205	9808	8525	16028	5249	7003	3931	0	0	0	6038	7142	0	8302	7687	6273	8314	5794	0	6986	3090	3279	9153	5918	8359	9196	4941	4899	4653	2936	6666	3852	14846	1898	2483	2857	6889	6301	5124	4178	5582	0	5364	8896	9896	7253	4447	4731	2533	5821	5721	9579	5602	4610	22715	11332	9109	21350	4788	5116	0	6117	7281	4251	4678	4880	10068	6862	8853	5034	8916	5297	0	7167	8398	Peptide	0.33333334	1.3333334	0.26666668
6	C15 H20 O5 N4	337.15063	337.1512	0.08738062	337.15067	10694	11171	11884	10464	4674	4089	8083	16111	6199	9414	3234	8860	5004	2106	10595	14067	13037	7096	10130	7645	8581	14988	10490	16996	6892	969	7628	4802	10418	10141	11038	10995	12019	9543	10819	8578	11334	10422	17500	9559	12476	6319	0	0	0	10797	10362	0	11529	9275	11150	10194	7081	0	6129	2287	5418	14472	7429	10520	12634	6471	5862	4497	3259	6313	6278	15237	1879	3753	4948	9653	7560	9011	5311	8708	0	7336	9532	4716	9604	5444	8708	4830	5004	5324	10988	6881	7390	24928	13899	14285	33170	6154	7246	0	9625	10656	3574	3776	3886	11140	7726	10484	7441	12107	4319	0	9203	8279	Peptide	0.33333334	1.3333334	0.26666668
20	C15 H25 O3 N2 S1 Na1	337.15564	337.1561	0.10585127	337.15567	8936	9454	10415	12132	14773	8650	4392	10705	10938	18490	4232	7399	18866	7491	4652	8652	3482	8614	12955	26693	19490	10056	9017	10528	9222	13811	3636	8808	7074	5970	13954	12078	6223	12800	19943	9184	14516	5189	5822	8431	5486	7717	0	0	0	6402	8590	0	11182	10078	12004	15566	8134	0	6907	8016	7649	8308	4968	5708	13007	7367	10778	6636	3818	10694	5642	6232	11652	25000	20606	8577	5226	7272	9584	10682	0	8025	8342	8208	6460	5298	4115	0	9850	7697	8830	9385	7546	3530	11773	14260	13990	8437	4708	0	7438	9866	5332	7612	8095	8424	6016	15071	5308	8784	11042	0	5096	8002	Peptide	0.2	1.6666666	0.13333334
18	C15 H25 O3 N2 S1 Na1	337.15564	337.1562	0.09817953	337.15567	8180	7254	9405	9673	9958	3640	5791	7601	7142	10603	6245	6380	11827	4612	3890	4408	3196	8064	12000	16917	10316	6650	8349	13374	4741	18093	3519	5792	8787	6586	5333	8011	8730	8173	14649	6963	11901	6347	7491	8500	14125	5294	0	0	0	4997	8707	0	9513	6249	8030	6884	5727	0	14588	7383	4038	6399	7436	5339	12618	7682	9599	6311	4090	11157	7594	4786	13853	25097	20898	5971	5629	5056	6697	10314	0	4761	8678	3843	7952	6351	5808	7986	6342	5013	7403	4832	7282	40681	9357	7832	17714	4969	5824	0	6730	11519	5962	7337	4287	8059	6511	5697	3383	9237	4880	0	7683	10153	Peptide	0.2	1.6666666	0.13333334
8	C25 H20 O1	337.1587	337.15927	0.31082642	337.15878	6594	18708	5578	20694	1332	6388	15892	26684	1983	5705	4053	6605	3079	1339	15938	8018	19176	2983	5586	10372	8866	29276	15136	27358	6275	2551	6262	2719	19134	21834	7654	23086	20778	20508	23544	17958	10229	15750	24468	28886	29406	3009	0	0	0	14574	25818	0	10165	21442	17284	7144	3569	0	3553	607	2831	21834	7417	7204	9491	6737	2141	3658	2108	3352	2681	29560	0	4011	4874	21678	18532	7263	16556	7067	0	13370	7130	7267	6602	6155	8965	3862	1320	0	16382	5907	4101	30664	0	11025	16981	8750	9141	0	17964	22556	1808	920	0	9438	14178	12590	0	9727	1981	0	18828	2541	Phytochemical	0.04	0.8	0.0
0	C13 H24 O8 N2	337.16055	337.16132	0.25772852	337.1606	4191	4391	5246	2888	4516	13842	0	9537	1561	0	0	2575	11224	9165	0	0	0	15647	6688	0	4171	3074	2162	6624	0	0	0	0	17443	4904	11291	10384	28085	34110	0	9416	13890	0	0	0	0	11347	0	0	0	2104	0	0	16173	5602	3172	3972	5400	0	3090	626	0	10693	564	0	3983	0	10247	2824	0	8952	12034	0	0	0	0	39253	33098	11061	0	7230	0	3621	0	0	0	0	0	0	0	0	0	12427	10191	0	0	0	5668	0	0	0	3727	3594	0	0	0	5166	0	0	0	8952	0	628	0	17231	A-Sugar	0.61538464	1.8461539	0.15384616
12	C17 H24 O5 N2	337.1758	337.17633	0.15181307	337.17584	99246	110073	117143	109160	43826	46330	101860	137018	41787	100470	61131	72774	48368	29557	93440	129298	105903	63629	70565	153716	124968	167249	90338	133621	100728	59849	92821	96138	127133	112490	122565	133264	154031	109480	131610	122169	125997	93441	118939	142844	140972	54322	770	330	0	128472	104546	0	127473	115391	105683	111072	47718	359	58218	32329	49103	132198	95589	99612	93716	84331	51214	47613	40475	59300	53062	112306	46437	103444	84918	124864	105695	121370	97963	112830	0	94386	88892	68672	80508	82388	97332	81165	38488	41581	95018	56653	61225	168888	162552	162110	186973	89551	133894	438	115024	116169	39982	91054	99556	134569	79301	140566	51052	114169	46695	0	101082	60324	Lipid	0.29411766	1.4117647	0.11764706
22	C17 H24 O5 N2	337.1758	337.1764	0.40754887	337.17593	1920	0	2281	0	0	0	0	0	0	2680	6599	0	0	0	0	0	0	0	0	0	0	1625	0	1315	0	0	0	72994	1259	1265	1328	0	1267	0	0	1338	0	0	1745	0	1427	0	0	0	0	0	0	0	0	0	0	1802	0	226	0	0	0	0	1112	0	0	0	0	0	0	0	0	1650	0	0	0	1839	1453	1025	1043	0	0	0	0	8793	0	0	1019	0	0	0	1987	1456	0	1392	26692	20993	0	3946	0	0	1881	0	0	0	0	0	0	1380	0	2167	0	0	0	0	Lipid	0.29411766	1.4117647	0.11764706
16	C17 H24 O5 N2	337.1758	337.17624	0.0973273	337.17584	62731	63334	67424	61937	31942	38785	66748	78569	31998	48534	30225	45872	32787	25021	67740	86182	67741	58252	57530	65867	53229	100721	50654	90879	77308	23815	57115	36665	88451	71664	70168	87656	100697	74922	68658	81269	115284	55820	74480	63892	51070	49671	668	331	0	61962	53387	0	90953	65415	65023	69725	46191	415	36287	26790	44271	97481	70464	52647	74914	27729	32015	30437	27273	42967	53627	74104	17304	42230	35066	71648	58180	69460	61232	72114	0	45874	63636	43934	49443	46088	60009	46025	26381	31358	65485	47760	47724	112950	91515	106870	161596	44600	64659	0	66200	71339	27113	22945	28625	93388	41855	79299	33429	88530	34853	322	71158	51838	Lipid	0.29411766	1.4117647	0.11764706
4	C14 H28 O5 N2 S1	337.17917	337.17935	-0.26678658	337.17908	0	0	496	0	0	329	0	0	0	0	0	0	0	0	0	0	0	322	0	0	0	0	0	378	364	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	334	0	0	0	0	0	0	0	0	405	0	0	0	0	0	0	0	0	0	293	0	0	925	0	0	0	0	0	0	0	445	0	0	31685	0	0	582	0	0	0	479	0	0	0	304	0	0	0	0	0	0	0	0	0	Peptide	0.35714287	2.0	0.14285715
16	C22 H24 O3	337.1798	337.1803	0.15051627	337.17987	14078	14093	13482	12784	10253	6032	16449	17991	7839	9323	8469	11874	4976	4636	16171	20629	31288	8027	10467	10584	13190	9169	11391	19698	12632	19001	15048	7783	12182	18688	18323	14876	15545	7484	7544	15794	12609	16269	32518	8177	12465	7563	516	0	314	10371	10728	0	14836	17492	17462	13913	7339	0	9116	7754	10452	16645	8804	19005	14799	6969	6414	6742	8530	8132	5921	30219	16306	18502	20838	9286	11489	15143	23861	13432	0	11366	26549	10804	17998	13648	17124	9100	11962	8835	27851	7004	10505	28219	15466	10791	0	7134	10072	0	14901	13003	11677	15367	15552	17303	13101	10747	3937	15992	8816	0	18395	9106	Phytochemical	0.13636364	1.0909091	0.0
14	C22 H24 O3	337.1798	337.18027	0.09157415	337.17984	116758	114204	107374	127083	57110	57689	130034	151746	52638	95938	61777	85652	49468	38153	107623	146148	105672	83783	98952	125223	110557	159747	87389	148211	115942	47100	119116	58926	129545	125593	127173	157781	178545	129885	121534	147231	175141	96367	120248	132861	98708	79214	0	0	0	125486	94327	0	166982	117222	113302	115867	77739	204	64664	37695	56752	153725	125886	83007	130734	74659	46405	48503	42659	83219	90177	125084	42672	77166	75356	138267	125083	141608	103051	128659	0	92454	100004	74890	97207	83747	115709	77027	42384	46033	103938	90162	101026	162204	166747	145864	202927	88440	122717	0	121479	114453	43007	42805	39347	155608	98412	162976	59691	138996	44859	0	113083	60792	Phytochemical	0.13636364	1.0909091	0.0
26	C19 H28 O3 S1	337.1832	337.1836	0.35301885	337.18332	7390	4586	4063	6568	7890	2708	0	0	4083	12770	18628	0	0	2840	0	0	0	0	5172	19605	15731	16237	0	0	0	23470	0	19811	0	0	0	0	3478	2413	18437	0	1909	0	2618	14355	20634	19904	0	0	0	10107	13291	0	3199	0	6757	6390	6446	0	0	0	2970	4267	10074	11246	0	10873	2073	0	2640	8952	9846	3084	12118	16065	14163	0	0	0	0	0	0	0	0	31767	0	9344	9477	16862	0	0	4910	0	3684	5577	41504	45931	0	26922	24396	0	6785	6000	6337	2317	0	0	2674	10581	12106	1766	5108	0	0	0	Organosulfur	0.15789473	1.4736842	0.0
10	C15 H28 O8	337.1857	337.1867	0.2523448	337.1858	0	0	0	0	0	0	0	0	0	0	1516	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1502	0	471	0	0	0	0	0	0	0	0	473	0	0	0	0	0	0	0	0	1395	0	0	1379	0	0	0	0	0	0	0	0	0	0	872	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35771	0	0	518	0	0	Lipid	0.53333336	1.8666667	0.0
12	C15 H28 O8	337.1857	337.18622	0.3860898	337.18582	0	0	0	0	987	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	765	730	585	0	0	431	0	0	0	0	0	747	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	658	0	0	0	0	0	0	0	0	20670	0	0	702	0	0	Lipid	0.53333336	1.8666667	0.0
4	C16 H24 O4 N4	337.18704	337.18768	0.08926312	337.18707	3713	3311	2326	2476	3629	0	2696	3741	2186	2168	3285	1749	990	0	2621	3584	4688	2539	2314	2790	2969	4785	2569	4408	3046	3403	3654	23710	2500	2342	3518	2873	3484	2526	2805	3540	3799	2123	6634	2169	2639	1662	0	0	0	3434	3762	0	2690	3568	2143	2754	1607	0	1852	560	1283	4644	547	902	3663	1296	1107	660	0	1496	1438	5887	1699	3766	4880	2864	3662	2888	2924	2407	0	2720	3011	7969	2673	968	1609	2086	962	1871	3689	2523	1420	8463	16072	22323	8585	3036	3443	0	2771	3614	1570	867	964	3425	1903	3287	0	3219	705	0	2602	1395	Peptide	0.25	1.5	0.25
2	C16 H24 O4 N4	337.18704	337.1877	0.17027761	337.1871	5239	6430	4539	4996	1573	0	4914	7718	1604	3227	3176	4552	1581	882	5597	4173	6196	2721	3320	4172	5494	7271	5226	6387	4383	1069	1957	5273	8054	5040	6479	5409	9919	5758	3738	5453	6917	4192	8515	4020	4401	0	0	0	0	3059	3101	0	5423	5412	5507	5742	2050	0	2805	798	1718	8421	1903	2725	4432	2625	1635	1609	0	2949	3285	9415	0	2820	1663	6516	5682	5344	2402	6036	0	3925	4966	10627	5007	1492	2906	2587	985	1792	7180	4047	4103	18272	28468	42078	17270	5087	1366	0	4828	5537	1162	512	982	5512	4829	5215	2134	8737	1216	0	6701	1049	Peptide	0.25	1.5	0.25
6	C16 H24 O4 N4	337.18704	337.18756	0.037064686	337.18704	4028	6193	4844	5418	1243	1127	3491	5053	946	2391	2922	1962	597	719	4357	5809	3543	3596	1173	1835	3839	3492	2838	5529	3552	811	2979	10265	4422	3286	3631	3940	6022	3982	2837	3034	6601	3131	4575	4454	2948	1184	0	0	0	1959	1719	0	3858	4220	3739	4592	1704	0	912	495	957	5571	0	2137	4984	1415	1694	1266	610	1510	1057	8218	0	2189	0	4136	4323	3485	3290	3196	0	2193	3661	4809	3460	1502	1825	2263	956	0	3767	2429	1812	11589	73155	99678	11914	3483	2591	0	5152	3677	1002	0	889	5469	2630	2492	0	6531	676	0	5315	1486	Peptide	0.25	1.5	0.25
20	C16 H29 O2 N2 S1 Na1	337.19202	337.19257	0.2034013	337.19208	10322	8973	10174	7081	5648	3793	4198	7431	9109	15349	3392	4551	6464	5203	6045	6480	12272	5911	9416	14972	17837	8618	7427	9269	7939	20799	5430	8348	12856	8433	5705	8499	8727	8029	11074	10193	8727	6031	11794	9154	8310	4010	0	0	0	6182	5691	0	7911	5569	7838	11927	5319	0	7849	7552	3959	11363	4677	6085	11786	6523	8053	7634	4728	10435	6039	8042	12398	25658	18148	6776	9538	9949	11316	9032	0	5553	8249	4217	4879	3542	7075	0	7645	4848	9917	6358	8523	5713	7739	7431	9296	5772	9135	0	6946	11752	6566	10838	10709	13715	5084	6570	3800	5801	7021	0	5072	5781	Organosulfur	0.125	1.8125	0.125
12	C19 H28 O5	337.20096	337.20148	0.20958272	337.20102	43499	37064	39206	36328	16427	11859	42281	36068	12227	17208	15653	21783	10291	14712	22241	68284	43289	13134	21653	21453	14426	34487	21655	37628	25066	18621	51245	10317	27038	41089	26255	44006	26713	23984	16569	41256	31848	25659	48461	8955	15317	18565	2635	1467	1323	17104	27767	1794	45503	42504	30915	44996	13021	1119	17047	23303	16408	51733	14376	20923	33282	8157	17524	13319	15488	11567	12181	48354	0	16812	22065	23209	25641	44018	75790	39990	1535	16448	32253	0	28625	18959	29623	18160	26957	18286	39868	10973	16397	80433	36954	35043	57112	15279	31732	2344	35655	42203	23452	29181	35901	43392	18854	36658	0	27235	23087	1390	33273	11962	Lipid	0.2631579	1.4736842	0.0
6	C18 H28 O4 N2	337.2122	337.2128	0.210626	337.21225	15905	17571	15302	18396	24747	9965	13394	23031	8479	12732	4475	7826	9733	7499	9326	26458	11178	17666	19225	17694	14341	18556	12162	26088	17068	5451	9617	6367	18312	21116	18784	19359	24098	17970	16748	17719	22219	10194	18758	14321	4865	8284	0	0	0	15233	7536	0	31217	18990	15512	17901	19220	0	16617	5104	5835	36181	1168	0	29391	7242	10379	11613	3739	10716	10696	21618	4276	15854	11496	21210	14906	15920	14216	13513	0	10322	10841	8487	8457	1834	1807	7985	7858	8780	14553	9157	8241	31048	25779	9441	42596	9020	24389	0	15319	15240	9810	4238	8007	22223	8184	17386	0	23875	8718	0	13257	13570	Lipid	0.22222222	1.5555556	0.11111111
10	C18 H28 O4 N2	337.2122	337.21274	0.3020907	337.21228	14405	9642	8188	10957	4242	3885	6980	13671	2481	11302	4117	6277	1054	1766	8676	14153	9688	3346	6998	14108	10627	10455	7608	14760	10766	4406	6641	2924	14470	10010	14455	16542	14771	15267	13056	15509	15821	9099	13237	23077	3601	4544	0	0	0	11866	6487	0	17484	11985	5815	13750	3280	0	2057	669	1785	21510	0	2489	12257	5187	2275	2324	1394	4849	3939	17666	0	10714	5472	14469	13540	13428	12129	13880	0	8874	6547	4788	4540	1970	3186	5564	0	859	11118	5886	5157	20424	17979	4747	24713	4318	12497	0	11117	7383	2005	762	860	13908	8411	20248	0	15604	1585	0	8580	1757	Lipid	0.22222222	1.5555556	0.11111111
20	C23 H28 O2	337.21622	337.21667	0.23476355	337.21628	7379	13784	11698	6850	11515	3769	13908	10271	10859	5989	9272	10601	7630	5897	12218	14575	32411	7424	11332	8782	6803	6510	10257	10789	10235	8407	13046	6121	10708	12283	10799	10656	15209	7911	2941	13662	9924	10317	34262	2791	12342	7257	410	0	0	5787	3473	0	9350	11117	6927	6865	12628	0	6064	8467	12924	14986	3943	13215	8705	3150	7662	6749	9254	5207	8911	37851	9390	7726	17312	6168	7085	14986	21062	14243	0	6617	20525	9038	12508	4656	8927	0	12343	12009	23258	8720	8777	35035	9920	9476	15184	7530	6048	0	12173	9520	6354	16603	18608	21271	12288	12498	2656	12277	9704	0	18026	4357	Phytochemical	0.08695652	1.2173913	0.0
22	C23 H28 O2	337.21622	337.21664	0.18744338	337.21628	30321	29708	28001	23704	24472	13558	24679	29617	24031	11596	23334	25897	12215	17286	24518	41510	57893	13741	23940	24607	14644	20642	24385	26840	25653	44649	26566	18296	27912	37868	23170	28433	35092	22159	16642	32526	30092	25785	71794	19141	31568	18400	0	0	0	12101	22124	0	31923	31702	26528	28951	24449	0	21075	21394	24627	29197	16451	27508	29320	11371	12312	18835	17573	19950	20895	75690	32206	30441	56856	16960	24142	31081	47289	35597	0	19708	37022	19287	27846	17316	21150	13044	34702	26111	47119	20235	24980	57616	26020	18806	29878	19657	22786	0	23891	28081	25051	39975	33200	47267	21730	24750	15831	26414	27764	0	33522	13113	Phytochemical	0.08695652	1.2173913	0.0
18	C16 H32 O7	337.22208	337.2224	0.17107485	337.22214	1983	1885	1730	2230	2432	0	0	0	2128	0	0	0	8929	18310	0	0	0	2314	0	0	0	0	0	0	1383	0	0	2155	0	0	0	0	0	0	0	0	0	1415	0	0	0	2320	7357	1674	999	0	0	1849	0	0	2232	2773	1417	2157	3920	0	10593	0	0	0	0	0	2513	3890	35774	96915	148909	0	0	0	0	0	0	0	0	0	1450	0	0	3027	0	3640	0	0	0	9081	0	1953	0	0	3174	4115	0	0	0	1964	2068	0	3571	0	0	0	0	0	4524	0	0	2124	0	0	Lipid	0.4375	2.0	0.0
18	C20 H32 O4	337.23734	337.23782	0.2211872	337.2374	7091	9477	14770	12076	8416	3705	34892	20513	2393	0	3785	6847	5204	7409	9728	34355	42320	2401	4841	0	0	5803	7705	19048	17776	4825	30587	4804	12494	13718	10484	13554	9435	17734	0	12655	10124	11655	36020	0	2321	5292	0	0	0	3911	7361	0	7384	14577	8970	13247	6487	0	3114	8109	6445	25881	2497	7933	24904	0	4760	4573	7996	6251	9256	44973	2706	1577	2500	10022	10466	24537	44462	13313	0	7082	21270	9364	11084	4273	25325	17609	7596	11491	28529	3111	2890	77919	17587	12048	21795	4807	4509	0	13025	13978	3019	9363	17290	12570	5558	3916	1904	16050	9061	0	23423	2649	Lipid	0.2	1.6	0.0
26	C24 H32 O1	337.2526	337.25296	0.29982364	337.2527	6302	5454	5700	4332	5501	0	6860	0	5925	1992	3923	0	0	2320	0	6108	18546	0	8381	0	0	2253	0	0	7843	7293	8337	5010	0	6319	5868	4877	3428	3067	0	7541	2811	7990	19306	0	3372	0	0	0	0	0	0	0	7378	7062	5601	4556	4534	0	6148	0	4071	6822	2305	4069	0	0	2039	4373	5645	2788	6719	20513	5929	1964	3815	0	0	6761	8692	8545	0	3391	13258	0	8152	5098	3810	3831	10156	7952	21098	4268	6654	21181	3773	5192	5525	3189	0	0	4358	0	5758	8505	10718	6931	4217	0	0	4440	8487	0	9346	2592	Lipid	0.041666668	1.3333334	0.0
24	C24 H32 O1	337.2526	337.253	0.26306075	337.2527	1982	1438	2273	2523	3750	1049	3268	1811	1875	1920	1511	2014	0	2747	3979	5375	13009	2026	1435	0	0	2509	2725	0	4166	4675	6638	1126	2527	3682	1631	2312	5168	916	0	4105	2333	3618	15371	1357	1312	1639	0	0	0	0	4975	0	3827	0	3047	3454	1464	0	1770	1252	2065	4615	1309	3022	1723	887	1952	2149	2147	0	2672	15648	1862	0	1684	1328	0	1886	5792	4395	0	1500	5633	2825	3805	1601	1504	1268	5367	3911	9857	2247	3603	20721	2620	0	1854	1663	0	0	2160	2555	2357	3155	4061	4016	1827	1249	0	0	4240	0	6580	1566	Lipid	0.041666668	1.3333334	0.0
22	C21 H36 O3	337.2737	337.27383	0.30116192	337.27383	0	0	0	1978	0	0	39916	0	0	0	0	0	0	5816	0	0	0	0	0	0	0	0	0	0	0	2454	39518	1335	0	0	0	0	0	0	0	0	0	0	1621	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1044	0	0	0	0	0	3107	0	6644	0	0	0	0	0	0	0	0	0	1638	1152	0	0	0	8152	0	0	13349	19764	0	0	4425	0	0	4110	0	0	0	1326	0	0	0	0	1379	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.14285715	1.7142857	0.0
26	C22 H40 O2	337.31012	337.3103	0.31206736	337.3102	0	0	0	0	0	0	23048	0	0	0	4506	0	0	18970	0	0	0	0	0	0	0	0	0	0	0	5809	25087	3631	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2065	0	24347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4315	0	2819	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2970	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.09090909	1.8181819	0.0
12	C14 H11 O9 N1	338.05066	338.0512	0.39074498	338.05078	1585	3231	4750	2792	10938	1558	0	0	10351	0	0	2180	13803	3534	1078	2000	0	11444	10380	0	1291	0	2758	0	0	0	0	0	0	0	0	0	3493	0	1528	0	2983	1271	3027	0	0	4855	0	0	0	0	0	0	0	0	3548	3896	5550	0	12219	6825	4882	3059	0	0	0	0	26948	14387	2974	13362	3662	0	0	0	0	0	0	0	0	0	0	0	1874	0	2376	0	0	0	7774	2968	1656	7255	5964	0	0	2524	2579	6493	0	0	1784	0	4254	10943	8624	2892	1535	0	0	2996	5220	0	1043	28005	Phytochemical	0.64285713	0.78571427	0.071428575
14	C14 H11 O9 N1	338.05066	338.05124	0.43231058	338.0508	6115	4762	2057	3653	12596	3604	0	0	12182	0	1767	1667	15177	2803	1730	0	0	18264	9389	0	1862	0	2795	3703	0	0	0	0	0	0	1183	0	1807	1239	2802	0	2236	0	1629	0	0	6315	0	0	0	0	0	0	1829	0	3059	2476	6901	0	8846	9664	7675	2236	0	0	0	0	25110	14783	4124	16008	3417	3699	0	0	0	0	0	0	1866	1121	0	1163	2955	0	3334	0	0	0	8558	0	5676	7542	4765	7273	0	0	2541	4617	0	0	2739	3533	6046	12147	9658	3383	3554	0	0	2861	6194	0	0	23075	Phytochemical	0.64285713	0.78571427	0.071428575
18	C15 H15 O6 N1 S1	338.06927	338.06982	0.40320903	338.06943	6637	3951	4557	6533	7805	3726	0	0	5183	17243	9327	902	6024	0	0	3811	2628	7005	8946	8320	5231	23165	1630	3730	2139	4120	1256	3137	0	1261	2341	0	0	0	8180	0	2057	1447	2967	16517	19822	2394	0	0	0	6238	5451	0	1731	0	4552	6605	3973	0	3313	3700	2587	4396	3502	4807	0	10273	2851	3096	1671	4004	2702	0	4682	12546	8283	2493	0	0	0	0	0	0	3139	17712	1092	4252	4623	7863	1782	4025	4372	3610	3623	4962	17831	15426	4813	23276	27091	0	5056	6152	3210	0	2303	1625	0	3331	0	2709	2478	0	4591	7491	Organosulfur	0.4	1.0	0.06666667
20	C19 H15 O5 N1	338.1023	338.10275	0.39123031	338.10242	6871	3791	7789	4067	2111	2096	2180	0	2877	12864	23061	1391	3064	3582	0	2161	3005	3989	2562	6744	13236	5797	2910	2801	0	43213	0	16043	2485	0	1301	1449	3673	1899	14041	2242	2196	1558	2932	9249	31104	2315	580	0	0	4714	17000	0	2948	0	5768	6141	3923	0	2451	0	1942	3548	0	4967	2699	8379	1763	1678	2059	2592	4103	0	38240	25242	60515	1665	0	0	0	1436	0	1181	3041	18412	2903	9124	3022	14443	4685	1448	5585	3069	2823	3726	5601	5934	3361	19388	13221	0	5967	5795	2758	2977	2342	6627	1516	1759	5263	4052	2527	0	2512	1667	Phytochemical	0.2631579	0.7894737	0.05263158
16	C19 H15 O5 N1	338.1023	338.10284	0.39060354	338.10242	4403	4201	2328	3327	3742	2316	1817	0	1798	16212	14548	1205	2109	2118	1490	3403	2623	4176	2362	5320	17283	3288	0	2278	1757	44258	2135	10795	0	0	0	0	0	2085	7733	0	2370	0	2351	9119	15695	0	337	0	0	6272	10191	0	2142	0	1859	4031	3486	0	0	0	2617	2532	0	2806	0	3965	4397	0	0	3046	1203	1630	40117	40687	55274	0	1743	0	2008	0	0	0	4390	12544	1904	5186	1208	9726	1367	1709	3809	3098	1863	0	4202	3122	0	12903	13246	0	4686	3688	1907	3285	2021	0	0	3347	5000	0	1282	0	3333	0	Phytochemical	0.2631579	0.7894737	0.05263158
14	C19 H15 O5 N1	338.1023	338.10284	0.423142	338.10245	1678	0	2516	2230	1291	0	2130	0	1554	9981	10800	0	0	2124	1623	3057	0	1522	3767	7391	10728	4497	1531	2343	1902	38065	2107	7908	0	0	1116	0	0	2092	11687	0	1458	1340	3088	4142	13124	1763	0	0	0	4743	9305	0	1599	0	2184	3632	1956	0	0	2630	3014	2596	0	0	0	3414	4162	2952	755	3499	1360	2175	35627	31994	51781	2159	0	1792	0	0	0	0	2934	0	3219	4609	0	7534	2659	0	4809	1554	2580	3644	5693	2034	0	5927	5302	0	1981	2723	1941	1139	2192	0	0	2443	0	1551	0	0	2185	2618	Phytochemical	0.2631579	0.7894737	0.05263158
10	C19 H15 O5 N1	338.1023	338.10303	0.4281117	338.10245	1733	1874	1444	0	2933	1989	0	0	0	5683	6082	0	1523	0	0	0	0	1227	2119	7837	7493	3125	0	0	0	23890	0	4357	0	0	0	0	1461	0	4238	1248	0	0	0	3244	7982	1022	0	0	0	2000	4786	0	0	0	0	1290	0	0	0	1068	797	0	0	0	0	2699	0	0	0	0	0	1990	22147	22362	33653	0	0	0	0	1691	0	0	1537	5443	923	665	0	3895	1799	0	1047	0	0	2336	0	0	0	3214	4325	0	1837	1339	0	1277	1227	0	0	0	0	0	1043	0	0	1433	Phytochemical	0.2631579	0.7894737	0.05263158
18	C19 H15 O5 N1	338.1023	338.1028	0.36371145	338.10242	2659	6535	5218	5310	4641	0	2664	0	3347	18352	22347	1862	3137	3993	2786	6293	4454	5705	5389	9434	12515	12244	2618	2118	2814	41141	2413	15710	3243	0	1693	0	5233	0	16083	0	2418	3131	3905	14508	29042	3484	374	0	0	9068	12013	0	2175	3302	4180	4521	3159	0	4029	3874	2052	3845	0	4898	2715	9930	0	2532	3437	4217	3436	6246	52854	37398	72139	2137	1878	0	0	0	0	1427	4426	17376	3643	10497	3034	10982	2507	1206	7002	5602	2635	9364	9594	6488	6686	17217	15215	0	6388	6081	1206	2144	3931	2766	0	3029	4434	1672	1753	0	3994	4726	Phytochemical	0.2631579	0.7894737	0.05263158
20	C16 H19 O5 N1 S1	338.10568	338.10617	0.40342218	338.1058	4743	7435	5897	5553	6178	5174	2792	0	2757	22672	14385	1797	3620	2193	3352	3451	3559	3044	3797	14163	16472	17957	2255	4528	3298	13099	1565	12170	2251	0	0	3190	2920	0	18083	0	4405	0	2932	21932	23263	2822	0	0	0	10914	6420	0	2359	0	5685	5048	4742	0	0	2688	2540	4353	5360	5948	1669	18965	3808	2206	1737	3165	0	4394	13252	18903	17209	1876	0	0	1654	2759	0	0	2379	13849	1293	6270	3840	13039	3882	1433	1952	3481	4155	6217	23630	25284	5836	20381	27752	0	7878	6250	3515	4710	2238	4816	1581	4978	8884	4529	3308	0	3716	5155	Organosulfur	0.3125	1.1875	0.0625
8	C12 H19 O10 N1	338.1082	338.10895	0.52218443	338.10834	19057	22982	14515	17425	4650	11682	9554	13786	20005	24851	32032	13986	15412	7737	12576	19353	20049	5387	28907	38884	52356	31412	20300	20293	6471	17880	0	6324	11776	9249	11313	14100	20125	11428	55372	12464	19378	10867	1682	48508	32803	14761	0	0	0	14402	19753	0	15488	11626	19079	19306	3503	0	25036	7365	11133	15953	15059	16675	20663	21364	37123	5551	11368	3573	16943	25445	11966	33400	45618	13259	12254	0	15148	10761	0	0	17921	11434	15105	11309	8529	9774	21651	7761	17124	16265	0	28814	0	15674	34947	41958	53518	0	23584	3615	2635	21367	8226	19759	14322	16958	12578	21619	14859	0	10345	8338	A-Sugar	0.8333333	1.5833334	0.083333336
12	C12 H19 O10 N1	338.1082	338.1089	0.53129524	338.10834	0	0	0	0	3699	1890	0	0	3232	0	0	0	7675	0	0	0	0	5197	2670	0	1475	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1856	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1856	0	7149	4088	1804	0	0	0	0	0	9211	4567	1122	3595	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42829	21297	0	0	0	0	0	0	0	2420	2751	0	0	0	0	0	1390	0	0	9921	A-Sugar	0.8333333	1.5833334	0.083333336
22	C13 H23 O7 N1 S1	338.1268	338.1269	-0.29806703	338.1267	0	0	0	0	57966	1247	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29204	0	0	0	0	0	0	0	0	0	0	0	2208	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2463	0	0	0	Organosulfur	0.53846157	1.7692307	0.07692308
14	C13 H23 O7 N1 S1	338.1268	338.1272	-0.072231375	338.12677	3254	4428	0	4927	2261	1869	11995	4237	2074	0	0	10855	3881	0	2268	6124	2915	2506	2583	3190	2631	0	8488	6323	2195	0	14876	0	4592	6459	3898	0	17219	5225	0	4280	9662	3193	6205	0	0	2235	0	0	0	1811	0	0	2454	2212	0	2744	2336	0	2642	0	907	7531	0	0	0	0	1903	2734	0	0	2137	5104	0	0	1907	14829	6382	10842	3565	3444	0	9559	17266	0	22863	1604	1617	0	1478	0	18286	1791	2242	5399	0	0	10449	0	1780	0	0	5543	1577	1836	1049	11767	6827	4273	0	3610	0	0	4757	0	Organosulfur	0.53846157	1.7692307	0.07692308
4	C14 H19 O3 N5 S1	338.12814	338.12875	0.3405376	338.12827	641	1875	1199	1133	0	0	3536	995	0	0	0	3262	0	0	1780	1843	15779	0	0	0	0	0	606	2303	1756	0	4361	0	0	889	1349	1542	1935	1261	0	0	2239	2815	19083	0	0	0	0	0	0	0	0	0	0	1067	0	1140	0	0	0	0	409	774	0	0	0	0	0	0	0	0	0	32378	0	0	0	0	0	0	3517	371	0	2409	1107	0	1639	0	0	0	0	551	882	1158	0	1745	0	0	2021	0	0	0	0	1172	0	0	0	2733	3156	0	0	966	306	0	2045	0	Peptide	0.21428572	1.3571428	0.35714287
10	C15 H19 O6 N3	338.13467	338.13522	0.18938369	338.13474	61159	64543	61728	57304	28522	26465	40991	78932	32062	59834	53357	52599	31907	11364	52550	72676	60363	43820	52110	79274	83273	84590	62932	88184	51853	85828	48639	46636	54454	55917	44421	64983	86559	50978	65959	62954	71885	48166	78895	72169	77467	39254	0	0	0	58948	63728	0	68684	59424	63208	60828	31746	0	42945	18248	25304	75013	65521	60255	69237	46346	31825	33845	27581	34379	34439	75086	68996	95049	101418	58462	57490	59352	47829	53478	0	43243	57335	35634	52476	35941	42439	29492	29208	23600	60566	40796	37086	108989	82470	98823	139670	49393	73320	0	59240	62321	18236	20348	20341	69639	40869	68852	22762	67789	24441	0	53509	44140	Peptide	0.4	1.2666667	0.2
0	C15 H19 O6 N3	338.13467	338.13544	0.26169133	338.13474	10240	8408	8524	8445	6629	11188	2930	13134	6400	3843	2625	5938	7956	0	4851	0	5518	12883	10024	4752	7612	11908	6911	12779	3412	1030	0	2585	13009	3721	11985	9859	14920	11893	5437	14368	15560	4121	7319	4057	3897	11623	0	0	0	5537	2638	0	13191	7801	9003	8320	9788	0	7458	3419	3184	18457	3015	3342	3435	1835	10514	8416	8521	9470	16315	9560	1223	2074	1610	8889	13219	9342	0	11935	0	4862	5766	4698	4521	1155	2105	0	4877	4305	6537	10433	11061	10368	13475	8832	25350	3411	0	0	8679	8732	3530	2985	4720	11373	3769	6937	1656	13858	4604	0	3989	17233	Peptide	0.4	1.2666667	0.2
12	C15 H19 O6 N3	338.13467	338.13516	0.1290045	338.1347	31604	23847	31632	28621	14772	15491	29661	31506	18379	13199	16317	21926	18012	5644	27371	34886	33184	24527	33108	21471	20080	42800	32290	33853	28284	5862	19470	17715	27325	25111	31396	26621	35942	25612	26791	28292	33755	27545	43800	25846	37210	18373	372	0	0	27542	21926	0	29132	29877	30755	24250	17580	646	22732	9930	14461	35392	31656	28835	33247	16824	18678	12938	14739	24773	18605	44119	0	14497	16273	24766	22797	27353	23040	23840	0	25764	31864	21714	21917	16587	25805	12081	15260	14003	31884	20113	22102	60065	128170	94100	66015	26674	20776	0	33087	33206	10695	9957	9133	34418	21921	23723	0	39708	13838	0	26995	26918	Peptide	0.4	1.2666667	0.2
16	C20 H19 O4 N1	338.13867	338.13916	0.33644682	338.1388	3337	3824	2602	0	0	1805	1612	1946	0	9158	12535	0	0	1444	1344	1758	3470	0	2249	15563	13070	7539	1742	0	0	38582	1502	14643	0	0	0	0	3162	1486	10120	0	0	0	4437	10501	17696	0	0	0	0	5989	8777	0	3931	1086	2547	2240	1693	0	0	0	1466	3169	0	4406	0	3413	1777	0	1163	1467	1537	4155	37574	33795	60258	1358	0	0	1731	1631	0	0	1464	6359	1302	5003	1682	7820	0	1026	3946	2181	1128	0	0	2169	0	3545	5211	0	3003	2854	0	0	0	2048	1857	2436	0	0	0	0	1170	0	Phytochemical	0.2	0.95	0.05
18	C20 H19 O4 N1	338.13867	338.1392	0.2964244	338.1388	5347	3452	5553	7331	2438	1787	2020	2511	1022	16736	23058	1449	0	2645	0	0	2594	0	3143	11932	16236	5321	1782	6657	1578	64202	2679	23854	0	1287	0	2623	2474	0	7824	2018	1568	0	2025	20127	26207	2208	0	0	0	5745	11613	0	1985	2213	4103	4432	1558	0	0	2158	1578	5104	0	4101	1863	8330	3952	0	1372	1616	1806	6235	50309	49645	81369	1880	2280	1260	0	0	0	0	4397	12057	2135	4625	2674	14962	1486	1385	3344	2470	1995	7337	4476	4864	7156	9688	15430	0	4367	6510	1208	1946	1676	2894	1420	3409	3015	2812	0	0	4173	0	Phytochemical	0.2	0.95	0.05
20	C20 H19 O4 N1	338.13867	338.13913	0.34094867	338.1388	5651	4901	6276	7212	4523	2574	1745	3246	1346	15158	22815	1102	0	4543	1411	3499	2924	2524	1701	9455	15250	7112	0	3344	3299	65830	1683	23561	0	2060	2713	3806	2527	1402	8632	2712	3190	2294	3063	13647	32249	2931	831	0	0	5990	14965	0	1886	2707	7584	3891	5102	0	0	0	2661	4543	0	5969	3987	10489	0	0	0	0	5141	4287	53703	46011	75224	0	1142	0	2398	0	0	2109	3262	15117	3147	7468	1768	13019	1358	0	3546	3189	1587	8920	3907	2995	8368	15570	8353	0	6970	4375	2478	0	1605	2864	998	4387	5786	3326	0	0	4233	2334	Phytochemical	0.2	0.95	0.05
14	C20 H19 O4 N1	338.13867	338.13928	0.30856284	338.1388	4404	2950	1592	2906	1128	1447	0	0	1514	9171	11845	0	0	3559	1869	0	2228	0	2502	13299	13100	0	1927	0	2698	44930	0	9543	0	1727	1852	0	2866	0	6865	1524	0	1431	2820	7301	11644	2489	0	0	0	4854	7918	0	0	1946	3108	3514	1185	0	1620	0	905	3402	0	0	0	3160	0	1337	934	1313	1455	2688	29335	40998	35973	1155	1766	1502	1583	0	0	897	1617	0	2369	0	0	7125	1372	0	2831	0	2093	7724	4526	0	4691	3943	8845	0	3725	3075	1387	0	1450	1914	1567	1931	0	1487	0	0	2481	0	Phytochemical	0.2	0.95	0.05
10	C13 H23 O9 N1	338.14456	338.14536	0.4764282	338.1447	153937	143320	125496	128030	4537	0	117026	185410	3785	164998	79610	2643	10621	2434	2506	181222	163227	4867	139935	177850	169730	206814	129028	1851	109376	54206	114968	78176	0	1112	0	0	196072	168522	179872	166400	2975	2195	1700	183152	152046	2222	0	0	0	144280	127834	0	185400	2899	141534	0	3211	346	6986	50568	45050	0	0	116198	184770	94362	64564	0	58333	2993	86350	192594	60704	114256	103004	161358	163569	3560	0	158228	0	108866	1197	70526	115078	96136	0	74310	64066	55572	107820	93444	87000	162915	118454	0	2487	97464	155702	0	154303	149555	53564	52265	3597	200274	2128	169238	0	0	4726	0	126559	120271	A-Sugar	0.6923077	1.7692307	0.07692308
4	C13 H23 O9 N1	338.14456	338.14523	0.3043779	338.14465	9730	12102	11228	11488	284766	43656	0	3408	10307	0	0	2083	65833	234168	2316	2664	0	45794	55089	0	1188	0	0	4928	1308	0	1739	0	4462	0	0	4411	3907	4701	0	4975	0	0	3567	0	908	50909	0	0	0	0	0	0	5777	3010	11867	10182	176245	0	4411	37045	31960	2105	0	1235	2457	0	13194	6927	17400	45572	58109	4292	0	0	0	4141	3687	3829	0	0	0	2061	1520	0	3460	0	1013	0	66149	14430	2087	16902	22095	4670	4086	5259	3805	0	0	0	9695	13904	15682	9890	10080	4874	3337	0	0	1254	142675	0	1716	17164	A-Sugar	0.6923077	1.7692307	0.07692308
8	C13 H23 O9 N1	338.14456	338.14532	0.31200013	338.14465	1250	0	0	0	14256	4132	984	0	4967	0	0	2156	8605	9019	0	0	2878	5660	5267	0	0	2414	4873	0	1602	0	0	0	0	2640	2231	2415	3534	2178	1015	1500	0	2283	3728	0	0	2629	0	0	0	0	0	0	2003	3054	0	3376	9395	0	9730	5831	0	0	0	0	0	0	5027	1191	0	4176	3687	0	0	0	0	0	3414	1584	1953	1775	0	2287	3612	0	0	1046	1153	0	7716	0	2522	1678	0	4671	0	0	0	0	0	0	0	3433	4979	3256	0	3832	0	0	0	1202	21340	0	2717	8034	A-Sugar	0.6923077	1.7692307	0.07692308
2	C13 H23 O9 N1	338.14456	338.14532	0.2466906	338.14465	5754	6772	9573	9124	8299	0	7231	7992	2414	1187	1821	6640	6464	4669	3506	0	5621	15304	7428	1588	2070	5238	3626	15753	3836	0	0	3124	10509	4045	17102	9856	25767	8521	2502	6035	12519	3071	15396	1419	3370	0	0	0	0	1733	1593	0	6344	11910	8694	9981	4058	0	4727	4515	7461	0	1473	2434	2679	1218	7824	5891	0	6275	12370	12283	0	555	500	11032	13171	8393	2843	4455	0	11679	4572	2665	3855	3492	4684	761	7791	3282	5161	11920	4701	15119	0	6113	12592	1688	0	0	3620	3231	1753	1905	1819	11316	3395	1878	0	19525	2093	0	3817	7430	A-Sugar	0.6923077	1.7692307	0.07692308
6	C13 H23 O9 N1	338.14456	338.1452	0.32830545	338.14468	7681	5250	5886	6549	135647	21533	1831	0	8563	1870	0	2529	49292	173878	3222	3335	0	23804	28515	1103	0	3267	4738	3010	1525	0	1593	0	3483	2369	3909	2967	2241	1944	1841	0	4281	4823	2671	0	0	17669	0	0	0	0	0	0	0	3144	5650	6452	96305	0	6252	31961	13385	4375	0	1357	3066	0	7618	0	10988	32279	31287	0	0	0	0	2511	2634	3464	0	1874	0	1515	3952	0	2689	829	875	0	21760	6984	2446	5826	7822	8458	0	0	5261	788	0	0	0	0	11294	9239	8914	7943	4475	0	0	4206	74750	0	2241	7632	A-Sugar	0.6923077	1.7692307	0.07692308
0	C17 H23 O6 N1	338.15982	338.16058	0.21830855	338.15988	11233	11054	10226	9461	5749	16731	8310	18416	5640	6642	5946	9536	6760	0	9555	5234	15068	6846	7672	9082	16561	10681	11143	10509	3888	6782	4036	5993	15382	9423	15048	11212	17331	20605	14791	14987	13823	9717	19954	7800	10105	12566	0	944	1197	6705	5977	739	18265	12336	11032	7796	7276	907	6512	4717	4090	15788	6674	10043	11247	5870	5679	6154	8014	7085	10158	17799	7476	6009	6451	13419	23163	13633	3885	15841	1258	9547	8050	4127	6506	3691	5975	3473	5570	4492	7007	7564	10011	8753	5042	8469	13828	8977	4192	827	10435	8565	3635	3392	4659	10368	6953	9344	5586	11728	5678	840	6895	7523	Lipid	0.3529412	1.3529412	0.05882353
12	C16 H23 O5 N3	338.17105	338.17157	0.10673455	338.17108	21492	23995	18586	28411	8517	7127	22084	34276	7710	11518	8746	17201	4835	4006	22705	29019	28021	14071	16600	23223	16925	35219	22089	31272	24182	6260	14221	11665	30219	23743	23927	27779	35437	25238	16469	24319	31032	21476	30781	22705	24967	8950	0	0	0	25210	17311	0	28990	23850	23904	18242	10323	0	11352	2791	7072	35171	19645	16761	22892	13532	9248	7107	8191	12092	12366	35838	0	14436	10977	30577	21901	23792	19411	21765	0	19666	18532	0	18218	13104	19909	16533	6018	11271	25679	15563	11154	52746	38813	35486	51243	14633	13185	0	27907	25499	5487	4929	5056	25470	18501	23022	20227	29904	6835	0	25241	9376	Peptide	0.3125	1.4375	0.1875
0	C16 H23 O5 N3	338.17105	338.17178	0.11242594	338.17108	8441	9455	8749	11388	3487	0	6954	15605	4767	5986	6462	9609	5546	0	8865	2497	14803	10282	9103	8173	11466	12041	9529	11926	6162	2400	1807	23953	16513	7547	10597	13022	18483	15096	12678	16092	12365	7952	19718	11135	10350	10478	0	0	0	6616	6369	0	14421	9924	10294	9092	6232	0	6345	3019	4086	16575	9607	9594	4711	5748	6017	6199	6472	7463	9082	16457	2457	4123	3551	11830	17151	8739	0	11172	0	6888	8950	39499	7806	3138	7410	6202	3548	5665	9241	8298	8474	17166	8703	14452	23186	17056	1833	0	11160	10118	4457	2512	1846	12262	5591	10563	3924	15576	3728	0	7964	6009	Peptide	0.3125	1.4375	0.1875
10	C16 H23 O5 N3	338.17105	338.1716	0.15796854	338.1711	45810	38653	41361	32790	14851	16597	31690	56145	15481	35411	14893	27620	11689	7233	40513	58022	41410	20347	28598	43767	42042	64997	36714	62641	41366	14746	33671	20959	48734	50566	49765	50086	58244	46480	41089	42387	55324	36011	48109	50279	39527	19612	0	0	0	45408	43644	0	59038	49014	44880	38714	17362	0	15537	8311	13351	52109	40793	33903	47407	30690	11142	14695	12078	20263	19877	49606	11171	27101	22382	52894	45152	46844	39751	45891	0	33681	34135	26107	27949	27027	34137	24633	8418	14311	33517	19815	18456	67800	54077	57092	89876	31410	43077	0	42398	42036	8864	8749	6868	51773	32723	66001	19542	52297	10989	0	40682	18374	Peptide	0.3125	1.4375	0.1875
14	C16 H23 O5 N3	338.17105	338.17148	-0.006904654	338.17105	9769	11151	13406	10048	3541	5908	11567	13033	5354	2934	6703	9386	2507	2916	8059	16353	14693	9187	9603	11566	5514	10173	11972	17255	17434	3499	11750	0	15862	15533	12908	17138	14489	14378	6262	14455	16763	10177	13578	9884	10575	5602	0	0	0	6860	6268	0	11967	11201	7000	11414	6410	0	7140	2459	4896	19634	7116	11191	0	4974	2524	2211	2783	9411	5828	17758	0	4423	4856	13234	16179	13385	15766	10626	0	10720	8391	0	12004	8044	11731	5665	6244	5048	13152	6990	6643	28214	27864	18285	34196	6859	7394	0	14444	9525	4325	3015	2694	17190	8224	12890	0	14180	4400	0	12489	4372	Peptide	0.3125	1.4375	0.1875
0	C14 H27 O8 N1	338.18094	338.1817	0.2537991	338.18103	11628	9639	14311	10266	23318	0	4647	22067	6201	2908	0	6413	57501	25806	4498	7218	12365	93453	13027	3350	7692	5163	7278	11535	4732	0	0	0	53347	12590	31217	26523	60287	184902	5613	23694	39205	6409	16276	0	0	14126	2078	0	0	4275	0	0	26892	10175	12788	11342	24657	0	4478	3208	5801	11028	0	0	11248	0	20980	7075	9629	90390	34840	13651	0	2173	0	215266	144247	28860	2929	22779	0	17120	0	0	3718	0	0	0	1979	3757	0	103008	22964	0	0	0	9173	0	0	0	10977	11442	3286	1724	1740	10167	9250	0	0	15991	7437	0	3429	70127	Lipid	0.5714286	1.9285715	0.071428575
2	C14 H27 O8 N1	338.18094	338.18167	0.27400318	338.18103	8996	6794	6139	6602	33391	35013	2344	5432	5797	1877	0	3354	33462	47570	0	2230	3600	43831	10664	0	3327	7687	4560	6881	3868	0	0	2829	6383	5358	9396	7008	5915	13665	2595	7027	19874	4654	5312	2036	1968	8014	0	0	0	1777	1734	0	7767	4233	6772	7723	13587	0	3676	5666	13352	6263	871	1275	2953	868	11688	3216	3923	39111	12659	7793	0	681	0	22592	14596	10201	1742	5340	0	2166	2968	6882	2784	0	1372	857	16393	4123	3381	9981	4154	8038	27484	7153	13716	11982	0	0	5458	6300	3248	2498	4410	6511	2468	2185	881	9313	15617	0	2776	32713	Lipid	0.5714286	1.9285715	0.071428575
0	C15 H23 O4 N5	338.18228	338.1832	-0.1046667	338.18225	0	0	0	0	0	281476	0	0	0	0	2850	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39130	0	0	0	0	0	0	0	0	0	0	0	0	1386	9452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68580	0	0	0	0	0	0	0	0	0	4201	0	30574	0	2217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26666668	1.5333333	0.33333334
18	C15 H28 O2 N3 S1 Na1	338.18726	338.18793	-0.23322538	338.1872	1628	0	0	2111	0	0	102186	2456	0	0	0	3081	0	0	0	0	0	0	0	2215	0	0	0	0	0	1345	75568	0	0	1427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2790	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1490	0	0	1440	1220	0	0	0	0	2916	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1583	2015	0	0	0	0	3960	0	0	0	0	0	0	0	Peptide	0.13333334	1.8666667	0.2
6	C17 H27 O4 N3	338.20743	338.20804	0.20280233	338.2075	6753	6102	7286	4486	1615	6848	5468	10773	2282	8158	3239	4253	1636	1527	5857	8986	6324	3452	4427	10314	8235	10424	5234	12560	7822	2813	3758	3334	8735	6383	10144	9013	13188	6212	7978	6865	11331	5057	8469	7528	3976	1689	0	0	0	4959	3665	0	12084	9142	6507	5361	3092	0	2907	634	1389	13047	0	677	10564	3057	1960	2099	1554	2995	4269	7530	1939	6896	4442	7372	5012	9102	5597	6897	0	4579	6231	5712	4264	1047	1370	3691	1142	1489	7244	3693	3724	15869	25353	9233	19381	4687	9485	0	6297	5398	744	493	521	11340	5073	7570	0	10352	1384	0	6491	2594	Peptide	0.23529412	1.5882353	0.1764706
10	C17 H27 O4 N3	338.20743	338.208	0.2858912	338.20752	6223	7245	3817	4744	2229	2628	3879	7882	2875	3212	3139	2477	1036	4386	2735	7059	3821	0	2432	5725	5629	5627	1635	4841	5051	1597	2771	4163	5593	5848	5260	6371	9636	4303	4225	7424	10247	4651	5389	6126	2027	3863	0	0	0	2805	2785	0	6280	3307	5396	6917	2790	0	5697	759	6295	8830	0	1412	0	1161	0	3876	5483	1919	6167	7148	0	5936	2071	3608	3999	4855	3443	5299	0	2779	1844	4801	2281	0	1023	1956	1024	1166	3533	0	3099	10982	27566	3734	11176	3681	1737	0	5258	4257	0	0	0	5953	2292	3785	0	5291	1176	0	3177	2117	Peptide	0.23529412	1.5882353	0.1764706
8	C17 H27 O4 N3	338.20743	338.20804	0.30499634	338.20755	6836	6101	5863	7100	3857	4507	3237	9276	3992	3102	2327	4224	3695	3004	4778	5265	5800	2845	4740	7417	7955	6793	5891	10730	6965	3099	3615	5322	5961	5312	5751	8399	6213	8458	8682	7047	9092	2217	6380	10100	2046	2865	0	0	0	6047	4005	0	8378	6151	5814	5574	3029	0	4045	1163	4130	8253	951	0	5960	2342	2631	3206	2288	3584	4964	9112	0	8689	3279	7802	6732	5439	5585	4926	0	4410	2757	14909	4558	807	1255	3969	1863	0	5087	2803	4734	14162	45251	6420	15903	4420	5726	0	7132	6013	1154	636	0	4249	2636	5660	0	8004	0	0	5127	4591	Peptide	0.23529412	1.5882353	0.1764706
16	C15 H31 O7 N1	338.21732	338.2179	0.28571132	338.21744	0	0	0	0	0	0	0	0	0	0	0	0	0	2358	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	704	0	0	0	0	0	0	0	0	0	0	450	0	0	2821	0	0	0	0	0	0	0	46135	47495	13007	0	0	0	2710	0	0	0	0	0	0	0	0	0	0	0	0	0	1306	16338	0	0	0	0	0	0	0	0	0	0	0	0	1537	0	1295	0	0	0	0	0	0	0	0	0	Lipid	0.46666667	2.0666666	0.06666667
0	C15 H31 O7 N1	338.21732	338.21796	-0.17105082	338.2173	0	0	0	0	6552	0	0	0	0	0	0	0	0	8772	0	0	0	1269	0	0	0	0	0	0	0	0	0	0	781	0	0	0	0	0	0	0	0	0	0	0	0	17181	0	0	0	0	0	0	0	0	0	0	7915	0	508	0	5507	0	0	0	0	0	0	0	4142	6306	25334	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	436	0	0	0	0	0	0	0	4007	0	0	0	Lipid	0.46666667	2.0666666	0.06666667
18	C19 H31 O4 N1	338.23257	338.2331	0.27850524	338.23267	14615	15485	14726	13843	9012	6499	11354	16600	2753	10433	8302	9148	17986	14118	6771	24552	34041	4725	9279	7781	11157	9344	8023	11785	9556	18241	12958	6429	19455	21449	11189	15154	16636	12542	9549	14725	18226	5705	25085	6948	15380	7837	875	0	0	6285	8269	0	21044	14329	13643	12004	9156	1091	5395	6196	5453	18821	4271	11127	20775	2373	6479	2988	4706	6761	10112	28996	15105	12019	15573	8469	17388	22344	28904	18476	0	10249	15745	16307	8211	3010	4330	6681	7754	4618	25029	8811	10812	52984	28224	9811	21322	4684	17533	0	10640	13276	5515	6013	13545	27132	7369	10337	4072	13882	9196	0	14997	5495	Lipid	0.21052632	1.6315789	0.05263158
16	C19 H31 O4 N1	338.23257	338.23306	0.18157817	338.23264	8676	10440	8811	11391	5029	5129	13716	12678	2630	2593	4137	7532	1845	3545	3505	21176	19678	3126	2713	10619	6044	5869	4176	6614	9515	8750	11530	7538	13674	12680	13623	13124	13849	12202	8783	14681	16006	4812	19075	4309	3804	6973	0	0	0	4917	6166	0	17682	11973	6419	8065	3616	392	3819	1182	4087	22602	0	4837	18061	2207	2047	1786	1705	0	5383	25764	11680	5201	5674	9284	11837	15416	20749	15744	0	9262	17130	7027	5572	0	1275	5046	2200	2727	29198	2988	9080	74730	25199	5118	0	5322	7385	0	8763	14209	2147	0	0	19490	5927	6180	0	17597	2234	0	11843	1803	Lipid	0.21052632	1.6315789	0.05263158
14	C19 H31 O4 N1	338.23257	338.2331	0.2499021	338.23267	12707	9682	8907	7521	1619	5244	40088	17481	0	6901	4610	6660	0	3104	9786	15854	13681	3109	3471	8270	7722	4269	4699	9969	8159	8424	71284	0	14380	16239	13978	13794	17969	16063	10758	17519	14125	4634	12038	5543	0	3636	0	0	0	4516	4515	0	16357	11546	9689	8318	4536	0	0	871	1313	19437	0	0	21471	4306	1669	0	1611	2340	3901	20991	0	10221	9901	16759	14087	15220	15541	14907	0	8866	4540	0	3930	0	0	4716	1309	0	19087	3976	5769	44919	35477	4278	15747	4525	9203	0	10807	6555	2767	1873	0	16091	8712	7682	0	13285	1785	0	7273	0	Lipid	0.21052632	1.6315789	0.05263158
6	C19 H31 O4 N1	338.23257	338.23322	0.2276498	338.23267	37115	36425	31181	35679	3239	7707	33666	91330	1956	27432	15679	28549	1716	1835	21680	68673	51979	7700	13327	37765	35177	24933	19776	51846	29543	8842	40372	14222	49829	60883	67839	59868	69820	45636	29072	54122	65840	21346	72797	24364	9560	13857	0	0	0	19803	17547	0	94496	83252	35053	35623	8802	0	4253	737	4793	66432	0	0	60457	12107	1858	3674	5737	5854	15246	87005	7073	13973	11292	74276	46812	69892	56136	55984	0	27718	23940	24457	19071	2274	4296	17408	1223	5471	32224	13228	18392	80462	55017	15996	58026	21688	37191	0	35897	31828	2708	817	1382	63915	26673	44397	12859	48964	2462	0	23152	3163	Lipid	0.21052632	1.6315789	0.05263158
12	C19 H31 O4 N1	338.23257	338.23315	0.28178927	338.23267	20599	18224	18940	19799	4422	6608	48731	49391	2194	11896	11342	18023	2313	3464	13018	49574	27740	5492	10785	22034	19429	11236	11721	22230	26008	10952	57567	9121	35607	29479	38110	27193	33709	25343	24461	34576	29196	13710	29268	13089	4053	8165	0	0	0	16043	10648	0	39198	36784	17313	15067	8869	0	1536	1056	4315	39566	0	0	34997	3410	1442	1417	3896	3459	10282	42803	0	26293	19597	27819	27660	28299	27201	22439	0	21141	22454	0	11513	1002	873	6833	1239	6223	58031	8589	8737	92799	43204	4814	38868	7209	14406	0	14074	19660	1556	1710	908	28231	18858	18853	0	29762	1001	0	22497	0	Lipid	0.21052632	1.6315789	0.05263158
2	C19 H31 O4 N1	338.23257	338.2333	0.25285307	338.23267	9425	8746	7942	8479	462	0	8471	18869	0	5215	2388	7891	0	0	7639	17004	13409	940	1778	7880	7533	9303	6775	15106	9564	1382	8156	2551	14703	13715	11553	13832	11422	9913	5908	15036	9983	6138	13240	7475	8170	0	0	0	0	5765	7111	0	13208	16178	9318	8850	1398	0	482	0	1217	16225	696	1109	12683	3490	0	363	0	843	2294	16513	1113	2765	1976	11279	12045	16123	14707	12514	0	7382	8584	6121	5843	1290	3410	4889	0	0	7716	2532	2085	33509	13966	10393	21983	6697	14262	0	8562	8788	0	0	0	9397	7083	14093	2415	12270	0	0	9603	0	Lipid	0.21052632	1.6315789	0.05263158
10	C19 H31 O4 N1	338.23257	338.23312	0.2174718	338.23267	34782	32065	36645	29193	6428	13310	58491	63938	2739	27732	16924	33100	2917	6183	33945	71109	43236	8525	18331	38214	36074	22519	17405	53086	30008	15680	80275	17681	48308	58964	49996	57015	56279	44164	38289	47537	60071	27499	58082	23258	6013	17023	0	0	0	18001	14311	0	82758	59699	39907	37007	16066	0	2298	1596	5332	80271	0	0	64110	5446	1765	3404	9579	6852	16501	73541	9039	32086	20548	51950	35284	47903	65130	44596	0	31279	21552	11566	17060	1210	739	12256	3055	7094	38764	22091	16785	73999	65846	9990	71444	14471	25572	0	37182	35397	4875	1230	1716	50887	28861	26063	0	70219	3034	0	36169	3986	Lipid	0.21052632	1.6315789	0.05263158
4	C19 H31 O4 N1	338.23257	338.23328	0.2186816	338.23267	18075	23827	20347	19047	1158	4420	22000	42519	545	12889	5067	17222	1281	0	17972	35580	29409	3832	6874	19017	16839	23681	16306	36422	23258	4085	29221	5428	30335	28322	32228	32937	27896	23977	19330	31853	27559	17348	32076	14764	12896	7193	0	0	0	12605	10787	0	41114	40321	22159	16616	5560	0	1352	552	3829	34993	412	548	33202	7604	866	2063	3646	5625	8687	37406	2260	5186	4260	32382	24588	44484	34803	27463	0	20020	20210	15790	15708	2451	4640	11973	972	5011	22300	6791	8618	55623	43394	16645	47265	17314	31525	0	20685	22584	1434	0	1268	25728	17845	30009	4576	24714	1018	0	23945	692	Lipid	0.21052632	1.6315789	0.05263158
26	C20 H35 O3 N1	338.26898	338.26938	0.29867056	338.26907	6278	5089	9107	6394	0	0	5539	0	0	1530	5708	4434	0	0	0	8984	8222	0	0	0	0	22999	0	17062	32680	0	4277	6942	0	0	0	6491	4499	0	0	5495	1544	5049	7870	4019	4750	0	0	0	0	6742	6424	0	5335	0	6201	8541	2601	0	0	0	0	9226	2502	4636	6280	0	2216	0	0	1640	4127	8267	0	0	1664	0	4858	0	0	8025	0	3735	32280	28815	11666	8244	4805	3002	0	0	43306	0	0	151343	11548	14771	167373	9293	6686	0	7473	7774	0	2344	5586	0	3858	0	0	45792	0	0	51991	0	Lipid	0.15	1.75	0.05
10	C20 H35 O3 N1	338.26898	338.26947	0.21929179	338.26904	9477	10596	9679	9217	0	3218	23301	20169	0	2573	0	15235	0	0	19122	27630	4193	0	4505	0	0	1293	13166	14472	39371	0	25865	0	24327	18888	34276	31558	23208	21937	2521	32899	20194	17863	4680	0	0	12524	0	0	0	2036	0	0	23774	16493	11284	10418	8118	0	0	0	5991	25622	0	0	30457	0	0	0	4227	3795	12323	6516	0	0	0	16337	17457	18600	27437	14743	0	14167	9339	0	6875	0	0	963	0	4057	11624	6498	10016	26392	13063	0	16256	2112	2600	0	9739	8080	0	0	0	16736	15618	0	0	11355	0	0	19837	0	Lipid	0.15	1.75	0.05
12	C20 H35 O3 N1	338.26898	338.2695	0.2862775	338.26907	4370	6063	4871	4963	0	1438	8362	50321	0	0	0	11894	0	0	11179	35025	9877	0	0	4293	1401	0	5019	15942	17165	0	10285	0	31827	29757	31621	26259	14618	19930	0	35815	14759	10556	10969	0	0	3623	0	0	0	0	0	0	29490	45497	7601	6502	1636	0	0	0	0	18335	0	0	34392	0	0	0	2271	0	2361	18679	0	0	0	18985	14247	25645	22115	13988	0	20608	2684	0	2706	0	0	0	0	0	16679	2245	4947	60437	9582	0	37383	0	1271	0	5268	6839	0	0	0	16782	7780	0	0	22040	0	0	7431	0	Lipid	0.15	1.75	0.05
14	C20 H35 O3 N1	338.26898	338.2694	0.28550315	338.26907	2718	4263	1459	2510	0	0	15861	9171	0	0	0	2334	0	0	3618	29800	0	0	0	0	0	0	3430	10518	24575	0	15023	0	9939	9632	27185	10888	6850	9669	0	7441	3318	3835	0	0	0	2011	0	0	0	0	0	0	20133	4629	4929	3921	0	0	0	0	703	26063	0	0	33452	0	0	0	1140	0	0	1906	0	0	0	14385	5535	6146	9255	9147	0	5890	2027	0	3030	0	0	0	0	0	5162	0	1442	16166	11747	0	3123	0	0	0	5044	2890	0	0	0	4645	14736	0	0	9857	0	0	5410	0	Lipid	0.15	1.75	0.05
14	C14 H10 O10	339.03467	339.03528	0.118458144	339.0347	2812	0	0	0	15858	3804	0	0	10386	0	0	1159	16094	6143	2227	0	0	9427	9969	0	0	0	2763	0	0	0	0	0	0	0	0	0	0	0	0	0	1491	1441	0	0	0	2941	0	0	0	0	0	0	0	0	0	2013	7769	0	8033	11815	6596	0	0	0	0	0	28761	13830	5200	17411	4227	1281	0	0	0	0	0	0	0	0	0	0	3019	0	2089	0	0	0	16721	3434	0	3821	5203	0	0	0	0	0	0	0	1846	0	6350	17124	19055	0	0	0	0	0	7868	0	0	25446	Phytochemical	0.71428573	0.71428573	0.0
18	C14 H10 O10	339.03467	339.03525	0.17623985	339.03473	0	0	0	0	7112	3111	0	0	8286	0	0	1496	10811	9654	0	1530	0	5383	8066	0	0	0	1218	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2225	470	0	295	0	1208	746	0	0	0	0	3847	0	6901	5727	4051	0	0	0	0	0	21501	8663	3848	13896	4259	0	0	0	0	0	0	0	0	0	475	1089	1714	0	0	0	0	0	13773	3850	0	4492	4159	0	0	0	0	0	0	0	0	0	4561	9327	7937	0	0	0	0	0	2478	391	0	14117	Phytochemical	0.71428573	0.71428573	0.0
16	C14 H10 O10	339.03467	339.03522	0.10112832	339.0347	1697	1727	0	2048	15242	6262	0	0	12773	0	0	1960	16294	9359	1451	0	1419	10897	10923	0	0	0	3973	0	0	0	0	0	0	0	0	0	0	0	0	0	1857	1187	0	0	0	5438	317	0	385	0	0	445	0	0	0	0	6713	0	5004	11705	7702	0	0	0	0	0	23862	13607	6177	17875	5429	1871	0	0	1524	0	0	0	0	0	0	1565	2507	0	3086	0	0	0	15207	2519	0	8183	7532	0	0	0	0	0	0	0	4053	2185	8018	15019	16930	1770	1912	0	0	0	6544	0	0	27750	Phytochemical	0.71428573	0.71428573	0.0
12	C14 H10 O10	339.03467	339.03525	0.088827185	339.0347	0	2366	0	1654	9102	2238	0	0	11441	0	0	0	17003	3076	0	0	0	7755	9012	0	0	0	1447	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2085	0	0	0	0	0	0	0	0	0	0	6461	0	6639	10254	3653	0	0	0	0	0	22479	12716	2159	13093	2350	0	0	0	0	0	0	0	0	0	0	0	1530	0	1172	0	0	0	11475	2694	1478	3040	3258	0	0	0	0	0	0	0	1657	2147	4960	15819	12305	0	0	0	0	0	5156	0	0	21400	Phytochemical	0.71428573	0.71428573	0.0
16	C15 H14 O7 S1	339.0533	339.05377	0.11696127	339.05334	10487	9960	6638	10277	13944	11493	1416	0	15350	34760	18615	1283	25141	6607	0	0	0	18393	18277	9917	15324	31752	3941	1532	2187	21078	0	12745	0	0	0	0	4765	0	37820	0	3420	1185	0	27730	24442	5982	555	0	0	5112	4612	0	0	0	6705	7025	9844	0	12621	10721	4630	3160	10220	7558	0	17298	6778	12399	3693	16760	3911	2973	16411	23255	25618	0	0	0	0	0	0	1076	6201	35555	2426	4965	3684	14057	13690	4390	5693	6587	5627	0	20687	21413	0	49750	63075	0	7732	7240	9800	9973	6448	0	0	5809	0	0	10152	0	1807	25123	Organosulfur	0.46666667	0.93333334	0.0
18	C15 H14 O7 S1	339.0533	339.05374	0.13417836	339.05334	6277	6156	8005	6986	13524	13328	1224	0	7524	24184	8281	0	21422	4293	1826	1521	1947	29281	14960	7702	6519	26963	2199	2177	4306	7775	2231	8891	0	0	1702	0	2669	0	17714	1746	2873	1352	2101	17625	14293	4411	502	0	0	4162	4837	0	0	0	7080	5180	7995	0	14796	9969	4431	4405	4673	2284	3391	11609	4872	11168	4977	17002	5858	1988	13362	16958	15395	0	0	0	1365	0	0	0	3619	14484	2253	5666	3025	9162	8955	2152	4455	6447	6418	3277	10035	18172	4192	26489	32886	0	8978	7825	10826	8915	6686	1696	1179	6781	2663	2596	7596	0	1724	23052	Organosulfur	0.46666667	0.93333334	0.0
6	C19 H14 O4 S1	339.06854	339.06937	0.4222667	339.0687	802	0	0	708	1760	0	0	0	1319	0	1180	0	939	0	0	0	0	805	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1002	0	0	1657	1218	0	0	0	0	0	2675	1594	791	1946	0	0	0	0	0	0	0	0	22665	0	0	0	0	0	0	0	0	0	2096	0	0	936	943	0	0	0	0	611	0	0	0	0	1153	2681	2560	0	0	0	0	0	1735	0	0	4314	Organosulfur	0.21052632	0.7368421	0.0
12	C15 H14 O9	339.07104	339.0716	0.15332693	339.0711	128547	120525	108214	122901	236653	135372	36071	39534	320704	118390	129208	50695	415791	105384	56559	57893	51157	332632	326870	97122	152800	200575	84367	44151	17609	10353	33795	26025	36032	31119	42780	35252	76645	40172	170626	27789	72980	67514	46749	78960	141277	93804	3804	418	834	46437	90962	1778	42315	34156	120020	127441	182133	708	405930	255661	117716	57936	54259	59626	52451	88208	550707	383657	88872	340099	137222	58271	105628	47410	85158	30293	30707	23486	50834	26727	683	50333	91020	74262	79459	50662	20154	20690	227279	102455	90686	112737	120580	64288	33746	76496	59546	167770	107937	762	129346	125129	228665	268887	235580	82658	51877	42144	68294	56118	204648	899	25620	569311	Phytochemical	0.6	0.93333334	0.0
22	C15 H14 O9	339.07104	339.07153	0.2317251	339.07114	6882	6559	5138	5313	17675	9417	0	2638	18694	3984	0	2133	31407	10479	1633	0	0	27443	20939	0	3750	4893	7372	3259	2460	0	1443	2523	1574	0	1272	0	2921	1677	3929	0	3983	4471	1628	2540	5230	3363	0	0	1275	2739	4661	0	2470	0	3208	4047	13391	1041	17896	18299	7170	1553	1911	1496	1323	2909	38030	24574	4629	23742	4092	1962	0	0	2568	0	1240	1869	1166	1575	1683	2423	8129	3510	6960	2864	0	1843	22112	11698	4368	4905	5935	1285	4459	4706	2482	4228	5033	0	6867	4288	8085	19892	20289	2026	2712	3758	3312	2392	14313	0	1609	45894	Phytochemical	0.6	0.93333334	0.0
10	C15 H14 O9	339.07104	339.0716	0.14950465	339.0711	115358	116742	95598	98764	238409	110153	26700	31655	287652	138903	137578	51498	412694	85834	46457	46282	45704	284332	261951	100109	162661	155180	79807	41181	14612	13149	28007	41450	26154	22568	33112	31250	67621	28438	188400	24954	67803	47259	50119	72386	131938	84082	3739	568	493	37368	81358	999	32966	26079	100649	108018	149030	933	311944	256916	92465	46425	40761	56654	44012	84416	412478	327965	83098	289303	103571	59341	87056	48209	91712	28824	26592	17347	40701	25088	0	40262	91001	99139	61793	43503	22646	18201	246681	87718	70366	102161	98670	53025	20815	52827	51930	189849	132767	830	106035	96752	211655	295506	263718	74677	43975	43350	42062	46966	198597	487	23915	481935	Phytochemical	0.6	0.93333334	0.0
6	C15 H14 O9	339.07104	339.0717	0.1562532	339.0711	23305	24951	22057	22236	48399	20618	4160	6718	64682	27360	28751	11031	96435	16360	8770	13741	9075	54792	60933	17111	30214	23995	19171	9325	1324	2924	4163	4940	4396	6314	5893	6700	12913	7311	38281	4170	13331	10792	11208	8791	21859	22380	0	0	274	8248	13939	0	5820	6675	22082	23049	32491	0	67700	72400	25527	9864	7250	11404	11137	12538	111000	63309	23136	66160	27880	13726	10109	6390	22103	5152	5586	2932	4606	5216	331	6572	15942	8460	13827	4953	3329	2459	66954	28868	14839	29799	23959	16791	0	7189	12473	31735	22383	0	24820	22974	47057	101324	97231	13446	6560	7924	6894	12382	50576	0	4744	111569	Phytochemical	0.6	0.93333334	0.0
4	C15 H14 O9	339.07104	339.07172	0.083573855	339.07108	5783	4085	4149	3908	10950	3406	893	1974	12421	3629	3091	1566	19000	5476	1288	2992	1274	9558	9668	1868	3583	5267	2612	1955	639	865	0	0	809	625	1667	760	1873	1017	5038	971	898	1815	2465	1261	3427	4039	0	0	385	1623	2358	428	1125	1030	3517	3864	5946	279	11852	16212	5332	1213	1707	1631	1296	1184	22348	12468	6416	13073	4139	1710	2250	1504	2511	483	1065	378	0	1484	291	1112	3778	0	2704	926	813	414	17429	4689	3074	3886	5044	2177	0	613	1083	3599	2213	460	3086	3856	10348	27229	20234	1869	934	1447	0	1757	10713	0	1332	24810	Phytochemical	0.6	0.93333334	0.0
20	C15 H14 O9	339.07104	339.07153	0.1721485	339.0711	20888	23348	23800	17602	73026	41388	7912	8500	65386	11512	14192	14482	116634	53516	12598	6824	10832	66340	55726	6968	11952	19900	22064	8226	9810	3840	6102	4414	8758	6394	5514	4570	14010	7520	15966	4298	12336	12060	8128	10648	13150	16604	1946	2388	3234	9110	12208	5464	7934	4862	24920	22172	39140	1696	65910	51214	22978	8264	5380	9512	4932	10940	126050	74698	22100	96118	24796	4988	6866	6170	7026	4052	2688	6258	6636	7060	3222	8404	35936	12240	18148	10880	6504	0	81790	34290	22438	21204	18186	5212	8140	16694	13134	23614	16548	2376	14838	27432	35696	71346	79852	10212	9794	6238	15764	3336	49208	2748	7322	121418	Phytochemical	0.6	0.93333334	0.0
14	C15 H14 O9	339.07104	339.07156	0.14570698	339.0711	99306	97777	89046	99540	204974	129962	28457	40284	267954	87086	78977	50703	433301	113326	59075	39708	38309	308708	252879	54635	91192	126671	85615	47454	22729	8810	28156	22566	25676	30169	30227	28105	66733	25414	126243	27936	59270	52621	34927	55354	83822	82631	4001	742	861	38953	64830	1210	38125	26242	97044	86421	153079	732	318729	196794	95166	47632	51058	38762	29514	70161	424376	302035	86657	286773	100477	39338	64369	28051	56853	31262	28506	22929	39044	32819	947	49080	83795	78194	65470	44705	12953	15040	203119	90564	74254	90678	110517	39395	28248	59937	60864	112959	77612	1145	90200	88662	151451	229436	195049	67815	45330	41414	48534	47809	137401	768	24427	419801	Phytochemical	0.6	0.93333334	0.0
8	C15 H14 O9	339.07104	339.07166	0.16177915	339.0711	72615	75858	51894	70017	127936	57879	15247	17772	163234	93243	101865	33316	241177	38872	24295	29768	36745	132240	148707	61526	109424	93262	41689	25159	8605	8037	17645	24406	12293	14415	18845	18361	33429	15898	119069	17589	37084	27635	34222	38905	92189	57520	990	0	480	25490	58868	471	19027	17415	62051	68977	85456	471	172662	160200	65354	24170	21011	34714	35220	40031	290928	216695	54909	175122	56132	42932	38486	17618	63045	16145	15629	9171	20248	15413	410	19472	56735	55182	38817	20646	9637	11488	161789	50790	41210	67729	61362	36853	0	29397	32016	122659	92687	0	57688	62875	137556	249492	210677	34732	25753	26534	21467	27203	135795	0	11636	261439	Phytochemical	0.6	0.93333334	0.0
24	C15 H14 O9	339.07104	339.07153	0.23698018	339.07114	2603	4388	3451	4094	8499	7595	0	0	12751	1270	1577	1362	17012	6331	2359	0	0	22207	10720	1982	1967	1464	4200	1804	0	0	0	1076	0	0	0	1721	0	1066	2076	0	1825	1417	1092	1937	2070	1573	0	0	0	1836	4169	0	1133	0	3062	1513	6973	0	16483	10328	4034	1607	0	881	0	0	25529	15553	2233	17060	3082	0	0	1454	2429	0	1590	0	0	0	0	1378	5507	1611	5827	1368	0	1231	12220	4528	2135	2105	2914	0	1980	3932	1355	2285	1989	0	2307	3145	5410	10556	8178	1585	1233	0	1326	0	7393	0	0	26539	Phytochemical	0.6	0.93333334	0.0
6	C14 H14 O8 N2	339.0823	339.0829	0.1227889	339.08234	14666	16688	10841	16449	21117	10396	3842	10697	30392	11232	14992	9980	38804	4654	7940	11442	10911	29405	27119	6670	21453	19672	12553	11242	2468	0	4072	0	5227	5251	8364	8380	14986	7116	12814	4540	12492	8560	10764	9885	22255	13768	0	0	0	6743	16387	0	8341	8553	14358	16666	17548	0	33346	22854	12606	13694	6533	10602	13708	11044	54591	32300	11947	26275	17547	14437	3806	3048	6859	7827	7337	5356	6194	6056	0	7316	9001	0	7014	4753	2512	2099	25782	8116	8967	23050	19057	26019	0	7503	22846	14786	7868	0	13650	13052	16145	27791	24315	15639	7685	9480	7961	15659	15709	0	5142	61082	Peptide	0.5714286	1.0	0.14285715
12	C14 H14 O8 N2	339.0823	339.08282	0.19789125	339.08237	18527	26615	24225	25162	33342	21079	8490	13940	38603	19151	17678	18865	52476	10098	18073	15598	27397	43578	46153	9255	29658	50483	28833	19255	6375	931	5763	0	11263	8635	12315	14480	21989	10323	36493	7839	23584	14254	31041	18406	32563	23188	383	0	0	11532	14636	0	11315	11062	21769	23546	29319	0	53066	28931	18187	19203	13637	17861	0	22150	78141	50668	19009	45160	23446	33950	0	5636	6987	10192	9820	5667	15540	10143	0	12962	26005	0	19658	10286	6162	3898	29816	13670	24953	29137	31274	54001	5799	21279	48291	36697	21391	0	27968	26031	28036	29726	29356	23221	16359	10054	0	33372	25111	0	11988	88963	Peptide	0.5714286	1.0	0.14285715
16	C14 H14 O8 N2	339.0823	339.08276	0.15644166	339.08234	12938	11954	9820	12922	14934	16948	3232	5972	15900	7618	3808	12800	31990	4274	9930	8100	14786	20954	23116	0	5120	21768	29188	19686	7576	2690	8092	0	0	2814	5264	6580	19104	5692	7522	0	9434	6720	13688	9360	15678	11076	808	0	0	2996	8440	0	8360	5132	11476	16984	19234	0	22400	9056	11318	12358	5578	7078	0	6970	33682	21842	7826	19630	13078	19342	0	0	2990	6874	0	0	4226	4894	0	9174	17470	8356	12520	0	2046	0	16938	9678	25114	19460	12210	0	7332	6930	0	14518	8396	0	14204	8696	11628	10850	8862	7648	11638	4850	0	0	12258	0	12956	50226	Peptide	0.5714286	1.0	0.14285715
10	C14 H14 O8 N2	339.0823	339.08282	0.17344199	339.08234	37010	32309	30298	30290	40800	27398	11193	17844	56929	35757	28143	25947	70754	12312	17830	23223	33492	57432	56759	19575	40470	61249	31020	26554	9976	0	12435	8780	9593	10902	16468	18289	38532	12242	45308	11932	28989	23220	29730	25587	50903	29202	0	0	0	15469	26215	0	13979	12649	35911	30094	39271	0	71826	41514	26067	30151	19443	26520	25278	23816	89042	76632	23147	59175	29924	43612	7147	5263	8804	16256	10820	7038	19470	12083	0	20010	32907	15179	22904	12997	7375	4562	42853	21153	27985	46000	39418	57834	7490	24548	56135	45189	31115	0	33149	31551	34693	40573	34548	33562	24460	23057	0	41014	29396	0	12256	113344	Peptide	0.5714286	1.0	0.14285715
14	C14 H14 O8 N2	339.0823	339.08282	0.19820641	339.08237	13719	12782	11791	14841	23987	16662	9190	8627	24951	8171	9708	14410	32472	8130	8535	12447	18516	28176	24875	5415	13021	31771	17438	9938	5029	0	9854	0	5001	4508	7116	0	16247	6367	22922	2555	14690	9361	18850	9308	18416	14887	0	0	0	7748	8052	0	8440	7918	12307	11496	17686	0	25630	11715	13155	7462	11301	10723	0	11226	39550	34729	11851	25325	14796	18611	0	0	2582	7427	4930	3043	10407	4619	0	10938	18887	0	13456	5125	3757	3211	13429	8772	20556	16809	13821	35385	6873	14678	34071	18679	11748	0	15137	9579	14000	16600	12691	15437	10325	4382	0	20981	11649	0	9975	52829	Peptide	0.5714286	1.0	0.14285715
8	C14 H14 O8 N2	339.0823	339.0829	0.15750027	339.08234	33671	32327	24481	37884	37035	17712	9251	18203	43434	27170	32177	27017	64660	9919	18177	26458	36201	44888	53134	16509	45680	54269	32895	22768	5476	1084	11246	3729	13391	14803	19315	18645	32739	15052	40274	15136	26796	17756	37490	22149	46890	28417	0	0	0	15749	26768	0	17821	16515	32739	34484	30159	0	58397	41189	26964	19991	18890	23395	24608	19940	96124	68409	27163	53171	31664	48128	8245	7225	9118	16968	15255	9833	21406	15012	0	19485	23124	11845	15704	8683	6901	4960	37736	13223	19612	44033	35168	58955	0	17901	56553	37207	19462	0	33336	32348	31387	46856	32645	34653	19497	17850	10233	39628	28217	0	10421	107660	Peptide	0.5714286	1.0	0.14285715
20	C19 H14 O6	339.0863	339.08673	0.088108964	339.08633	40832	44919	34006	41223	37969	24702	14374	16723	40500	99412	89116	14996	43606	36165	20821	29951	24394	52136	58067	76319	72623	83408	27232	25260	15516	119295	13809	66799	7369	10415	7400	10439	20289	10893	108332	9485	24930	15859	15052	53821	68584	24370	3719	0	868	36827	60726	1310	11951	10154	42586	40998	30477	1017	39085	34140	26498	25424	16518	23613	15155	41731	49070	34321	26569	49523	36019	19026	96334	88432	127286	12509	7330	5320	8315	12883	836	10253	42231	82848	29034	36201	17740	55510	42653	29890	43584	27067	26606	36231	36790	33805	32112	94763	97751	2288	43638	37296	37625	35560	46235	23006	11381	25597	36674	17579	32146	854	20140	47014	Phytochemical	0.31578946	0.7368421	0.0
18	C19 H14 O6	339.0863	339.08676	0.1287371	339.08636	42577	40031	32727	33771	33480	21058	17289	9318	35330	108758	87196	11068	38520	28881	14332	21207	16184	44863	52620	77047	68459	65563	21295	21620	18539	125765	13643	68964	14918	7294	10077	10100	18746	9433	120403	7711	17481	14582	15854	56642	66065	17474	1683	0	545	40426	47300	774	13085	10321	34227	35905	28957	355	33480	29400	20019	25436	18019	15221	19785	48459	47002	32894	21653	39233	30994	16956	96990	103402	161304	9954	7294	4973	6132	15337	459	9910	39942	60618	28075	32576	18163	43235	47165	26952	31131	28469	29684	30070	28973	33546	34512	79345	99521	1030	36412	33511	35209	39259	34011	16453	9083	15881	23095	12553	29764	0	22268	40000	Phytochemical	0.31578946	0.7368421	0.0
16	C19 H14 O6	339.0863	339.0868	0.17976654	339.08636	21321	28626	23095	23790	29129	15196	8828	7698	30533	70598	55051	7960	31278	16490	12550	14372	6321	34685	48810	53757	54707	47306	16849	19177	10945	85207	8465	34794	7030	6815	10123	11501	14237	5432	89896	7296	11757	9743	12941	37857	40213	11708	949	0	486	30956	28967	787	9355	7581	25433	23539	17695	0	17143	21702	14893	18146	11784	14715	10035	24254	30793	19517	10566	31193	18145	10672	71573	84502	100226	8600	5872	3939	5905	10306	580	9755	26727	38482	22740	25361	9112	27180	28468	16869	23190	16836	17765	25827	16202	24107	0	51580	54175	686	23737	28442	22018	21230	26520	12666	8046	8754	12881	12984	19192	0	11531	25001	Phytochemical	0.31578946	0.7368421	0.0
24	C19 H14 O6	339.0863	339.0867	0.06765867	339.08633	11621	10949	8575	12659	10399	5216	3332	10687	10615	18810	17114	7033	8500	5322	6326	12911	7916	16527	16931	13725	14893	26211	9346	21788	7934	25336	3352	11128	3649	4944	4988	2052	4181	2650	23893	4243	4346	7221	7546	9884	24686	5067	0	0	0	11141	17156	0	3830	6224	9432	10239	6604	0	11575	6117	6696	9013	3310	7959	11883	9534	13855	11703	4939	16315	6406	8520	31084	22263	36501	5153	4071	1276	5138	4573	0	4865	16532	20328	15728	13370	4461	12644	19827	7962	12109	7832	9486	18287	5900	2948	23275	24648	31952	0	11033	10787	7319	10880	11821	4663	7436	6790	9151	10317	8232	0	13480	16840	Phytochemical	0.31578946	0.7368421	0.0
14	C19 H14 O6	339.0863	339.08685	0.2014974	339.0864	17523	18036	9287	17231	15378	9284	5124	9407	13591	40694	24213	4927	14399	11123	5714	12747	6778	17157	12078	29682	34444	27353	11115	11836	6887	46715	6922	24255	4836	4609	6695	0	7907	5067	46364	5390	3647	8757	9362	21064	24340	7081	0	0	306	11817	22677	448	6316	5803	15382	15999	13298	0	13429	8855	9391	6976	7843	7780	0	11986	18864	9749	6826	11783	9012	8014	52909	46914	66774	5764	5947	2302	4490	4295	0	4936	17111	15676	16862	16080	6121	13406	14226	9057	9112	8121	10787	12787	12881	9755	16604	26716	22583	0	20018	14535	14914	17342	17614	7003	6387	8058	0	10772	6810	0	10122	11838	Phytochemical	0.31578946	0.7368421	0.0
22	C19 H14 O6	339.0863	339.08673	0.08656251	339.08633	22338	27120	23347	22156	25112	14576	7387	8042	28908	48162	49056	10358	22776	16579	15380	13824	10259	40738	37230	33156	42736	43497	15060	14114	12355	76602	11858	37729	10997	3908	6087	6251	10709	6844	50295	8090	11101	15416	12416	30870	48319	14833	0	0	585	26386	47699	0	7829	8830	19742	22913	23560	1260	25280	23465	18189	11109	9762	16862	10526	20720	33601	20602	15891	33014	20735	9138	65230	58310	88016	4848	4204	1964	4337	9732	820	5524	27123	44321	20557	26857	10752	23056	45311	23320	23806	21591	19587	19523	16518	24439	11911	65807	59314	0	24407	18939	25393	31722	36190	9245	7903	11468	18258	14101	24913	0	14541	26398	Phytochemical	0.31578946	0.7368421	0.0
12	C19 H14 O6	339.0863	339.08685	0.20582443	339.0864	6532	8583	6464	6658	4740	2407	3120	6069	5747	14779	13083	5528	6053	3556	3144	4252	3689	7090	11665	9869	13555	11419	7307	4907	3671	18575	4219	0	2234	2790	2465	4554	3749	2290	20498	1452	2866	7623	5442	5957	10800	3614	0	0	0	5708	15425	0	3788	4494	6039	4944	5123	0	5319	3590	5394	7580	5355	0	0	7862	8474	4348	1153	4181	4014	0	0	19792	26131	2614	2983	3019	3946	4779	0	2636	11903	0	7656	8834	4674	7753	7365	3017	7745	3153	3626	5156	0	5585	9477	10811	9486	0	6033	4592	8276	8111	6211	5304	2192	4058	0	5004	5531	0	3140	7552	Phytochemical	0.31578946	0.7368421	0.0
22	C16 H18 O6 S1	339.0897	339.09012	0.15811333	339.08975	9610	4636	7920	9380	12209	13760	1830	2386	8390	18830	9218	1373	11375	0	3624	3874	1768	17394	9444	16562	15382	20581	2275	6381	3778	12909	1809	6239	3060	1460	2070	0	3758	0	13645	1587	4278	1706	3899	18479	11483	6380	0	0	0	4767	6032	0	1789	1363	10980	8124	10231	0	7810	8897	1738	4860	9252	3453	5222	11980	4722	6488	3443	10775	7284	4088	10100	13979	19504	2591	1580	0	2288	3628	0	2627	5204	7899	2214	6093	4539	9652	8179	5408	3958	6095	6067	2335	18151	23274	5758	14330	22443	0	6094	8157	9885	12215	6841	2773	2095	7053	5119	2348	8790	0	3394	10926	Organosulfur	0.375	1.125	0.0
16	C15 H18 O5 N2 S1	339.10092	339.1014	0.31906852	339.101	5636	6319	6480	5216	6559	3032	6492	2103	1234	4401	0	5784	2181	1467	6898	8206	11691	7107	4177	3252	0	13935	6006	9830	5500	0	5787	2992	5602	4423	5786	5075	12720	5922	2090	5480	8817	2893	13448	5712	7667	4490	0	0	0	3477	6784	0	7265	6447	6460	3906	6267	0	1980	2171	2855	13188	3539	9714	0	3268	3069	0	1686	3968	2436	15748	0	2415	2182	4177	3084	1846	7574	4358	0	4011	9479	10877	5009	3676	5905	2816	2186	2217	8576	7773	8703	24890	15371	13093	0	7739	8702	0	4574	5915	1816	0	0	6468	2228	5995	6871	0	4267	0	10843	2771	Peptide	0.33333334	1.2	0.13333334
4	C20 H18 O3 S1	339.10495	339.10577	0.5785492	339.10513	799	841	0	958	996	407	0	0	1344	0	0	451	629	807	0	1041	0	570	799	0	0	0	416	0	0	494	981	0	0	589	0	0	0	0	0	0	0	379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	628	473	973	0	1390	1917	751	0	610	1179	0	0	875	0	0	0	0	401	0	434	30356	797	0	665	618	0	513	0	971	0	834	411	0	0	671	578	0	0	537	0	0	0	0	0	1116	1462	1738	588	442	0	0	584	1022	0	376	910	Organosulfur	0.15	0.9	0.0
22	C16 H18 O8	339.10745	339.10785	0.11732936	339.10748	39025	35858	29728	34702	42338	32308	19256	36529	49730	39748	17099	27157	64035	23182	37223	28053	26288	64970	51085	34652	38028	39041	40522	36569	24431	20563	15274	14983	29391	23449	30732	31835	35935	25118	45056	20680	43125	28814	26548	29077	27468	25542	4748	5029	6121	27410	32395	5503	31184	28051	38114	36008	42442	5383	64083	42086	24411	34169	24328	18345	31934	23777	60799	54679	21970	55929	27684	25022	22577	27280	24161	31543	22739	24330	19391	30967	5521	31699	36346	15050	41287	25608	16812	17213	46933	29496	36459	26654	32698	22936	25590	26054	39297	23621	23820	5103	34526	34018	35424	48837	41078	33151	30096	23307	21742	25412	28798	4524	27858	82643	Phytochemical	0.5	1.125	0.0
6	C16 H18 O8	339.10745	339.1081	0.14682391	339.10748	103743	200852	88722	199386	160754	105728	53252	90257	404817	169685	131106	143406	263732	46872	134926	202348	175882	258744	292090	132970	166424	238590	185230	213662	34374	72492	50429	69260	73607	73908	143584	164306	94967	130106	330724	148090	89124	137178	237050	80251	272378	143200	4503	1901	3176	86354	117473	2339	88958	83009	212944	211012	150010	2893	312798	251460	67067	176888	150704	102633	97296	74047	332244	129987	104702	210172	78266	212974	133558	127657	202713	139248	146012	69064	85790	74186	2139	117208	185998	50696	83172	113974	54760	43979	131993	141314	88417	146312	159176	103288	39700	72306	98110	95173	94235	3316	192956	213208	191176	250538	275318	189064	69438	184692	67263	168918	205740	1752	52345	504936	Phytochemical	0.5	1.125	0.0
12	C16 H18 O8	339.10745	339.108	0.12609641	339.10748	2028340	1161846	2252082	2141974	2122838	1583598	536267	708473	3006340	4106382	1304967	985664	2992160	506183	1317818	1610082	596790	3424740	3517138	3803174	4006654	1500563	1674198	772750	784736	1131014	500968	909569	1388256	1225116	1307032	1435376	1025167	665090	5460256	1244730	1792126	653644	704367	2970252	1280275	723232	23428	5324	5656	1767746	858582	6418	1600252	1290154	2147434	2092214	1901448	6239	4214740	2016654	1268266	1615132	783468	715754	920046	2329772	3780568	3064014	489479	1382424	1569704	636416	1642561	1929194	4164758	1321308	657592	1184572	596617	1361828	3620	1162680	1617000	749983	1559698	721628	553541	804079	2009438	650577	1573082	1227510	1565816	1365922	662921	987248	763273	1073397	2541262	11100	2285928	2273586	2201580	1890056	1688258	1751778	1092706	839114	693900	1311806	2008406	5302	874612	3791060	Phytochemical	0.5	1.125	0.0
18	C16 H18 O8	339.10745	339.10788	0.123758785	339.10748	276673	263403	252007	271219	281661	262402	134896	217874	354602	352793	183317	139613	576114	165972	222427	189229	132261	529829	454591	334213	302280	274172	232842	230516	145770	184645	126587	133048	182757	172230	202352	206418	259659	192740	355819	171701	266725	173738	151774	292904	211342	174461	14183	5424	7376	225874	188953	6686	220281	176803	266861	259198	255056	4863	571302	270458	168287	227856	179961	119749	200042	220899	487540	396010	140844	385557	229310	156450	230864	349432	327000	209988	167306	177662	127557	196665	5972	165813	243889	144111	202726	172929	129689	152142	326346	217827	203639	185818	206830	151933	188929	230515	257701	180126	238287	7927	264318	255503	237528	253270	244812	215849	150823	198078	120737	190197	211499	6394	150396	541098	Phytochemical	0.5	1.125	0.0
10	C16 H18 O8	339.10745	339.108	0.116637826	339.10748	720978	1400500	657203	1243784	1379546	465136	329365	981550	1775600	2825706	1818690	804488	1927570	310972	801682	566889	409612	2120016	2037116	2445926	2646754	1696432	1049550	1069812	237825	798815	356742	594181	854144	807990	407225	919226	663467	798532	1650270	831294	1193050	416465	1059564	1785394	1963858	858020	20872	4015	5293	570664	1252122	5538	953866	848112	700930	1375116	573669	6715	2463368	1366824	745138	1158178	1006046	499683	608114	647088	1927028	1913276	650060	795528	469545	545108	1057321	2262538	2846136	453993	431316	372227	763470	871396	4330	365053	1300766	453775	1103276	888930	722630	451734	1529580	858800	547749	854258	493077	960158	362066	977688	1036616	1417504	1762818	10442	1356884	700771	1377538	1393150	1305302	1134528	765910	622992	420684	874058	1254250	4102	308192	1170789	Phytochemical	0.5	1.125	0.0
4	C16 H18 O8	339.10745	339.1081	0.12195088	339.10748	21065	21351	21045	40654	39486	13860	9976	21714	29585	20678	24168	16059	60244	18906	13730	20791	19722	53404	56192	20012	26652	29007	21021	25769	9161	13234	12424	11739	16858	16322	15265	17020	18974	10796	32883	19302	31754	14772	47906	18380	24124	18963	2876	2226	3970	17605	24146	3482	19484	16816	20130	32704	17739	3839	65998	29430	15974	40880	13329	39230	46516	11249	70960	56800	15247	43302	16755	27419	27523	18368	28805	16105	14425	16582	6943	34676	2401	13029	40796	5957	20597	14143	11829	7902	57192	16697	16604	35102	38960	21599	11429	11176	38262	15317	16807	7564	17046	24337	24733	68192	33119	43768	16536	19395	16853	16683	20406	2959	11100	65394	Phytochemical	0.5	1.125	0.0
14	C16 H18 O8	339.10745	339.10797	0.12590826	339.10748	1043532	1084196	1023989	1050539	1205277	968870	509332	734074	3349590	1858158	994160	517800	1988825	610579	1446146	714834	1045542	3935878	3355750	1860047	2010917	1396441	1669558	812758	489754	1148885	936352	834461	692769	612550	1279166	749857	2068296	636099	2555504	657004	943390	641669	546778	3179894	1079988	766040	39851	5482	6181	859581	752814	6519	721211	547714	1031232	952039	2073586	7597	2409889	1121563	653448	839636	864734	562581	852162	2332690	3936662	3663390	1098412	2813304	860260	1065790	1370432	1968617	1779944	689971	672222	604238	470143	658562	4170	1203842	1685806	709250	1888690	681764	552466	782327	1161103	669505	1573084	1294868	1698368	566623	716743	939997	1601568	925932	1205125	14377	1014875	1062492	990866	1066289	998299	850511	1141436	902712	684904	1320708	900730	6370	527222	3747718	Phytochemical	0.5	1.125	0.0
16	C16 H18 O8	339.10745	339.1079	0.12680437	339.10748	642234	619311	617921	630652	749355	674733	297363	472948	1005292	982487	490063	330762	1373852	401911	506652	434725	280946	1305957	1189375	1000228	942556	754224	524463	472565	302279	527005	266181	365851	432968	363711	441788	458459	654266	409811	1212683	425323	682375	380171	352361	886026	548392	420797	22281	6622	7962	512545	460761	8345	481106	407533	637478	627256	669226	8292	1354660	684796	415466	511080	508134	297453	453665	592061	1196935	1040336	310344	974323	541587	296246	669930	1058077	863727	471535	461214	390958	285636	422043	6244	357509	550970	385467	426960	396569	324537	440841	721425	431535	467593	403959	520287	342415	445129	620884	533821	480716	667847	11693	646769	609195	594487	556129	565790	524847	332369	435948	305184	463859	557536	7579	301682	1425756	Phytochemical	0.5	1.125	0.0
8	C16 H18 O8	339.10745	339.10803	0.1550152	339.10748	623808	355371	495708	664328	573906	379156	294766	460340	809188	1139142	777360	403222	875734	133101	204958	543012	496550	749590	465224	939012	542240	793466	275331	290395	203438	279237	323470	232332	391744	388164	385122	430452	252928	376290	702293	200544	505572	418890	575642	358634	491838	213501	7098	2279	3562	524764	687926	2848	480694	422610	614278	334390	492524	3548	1616730	655426	193606	484508	213848	272891	291197	543360	1024164	889988	168832	687580	211796	276333	454079	451232	2079711	416020	418062	345102	346832	463340	2591	366344	330791	200805	552094	396554	168733	190604	682742	173651	272041	409814	484654	541346	140062	230766	518742	628816	350030	4603	636978	647278	630540	736632	686060	519124	190033	617788	171219	214782	620288	1804	312856	960228	Phytochemical	0.5	1.125	0.0
20	C16 H18 O8	339.10745	339.10785	0.099557385	339.10748	94718	101218	91098	78487	102844	92934	44847	87564	132360	101442	50390	66511	193429	66763	90858	67964	48005	163365	150152	92002	98848	95013	87108	89990	60262	55657	49367	46202	78237	58359	68723	71516	93292	71636	114036	63224	104981	69356	58525	81258	71396	62436	8256	5737	6459	78479	91050	6752	72614	68403	92110	91924	95348	6018	154850	108375	61004	84978	69164	41042	74209	69996	152440	140051	54247	129851	82046	56470	57623	87259	87777	72512	73140	75553	53191	76102	5829	68943	100608	48124	75893	59802	49814	56860	117758	77561	82586	61063	72509	56755	67079	79102	93118	61383	54564	8491	96948	87304	87750	99390	103629	85225	57812	71704	56081	72493	82225	6709	57472	201068	Phytochemical	0.5	1.125	0.0
2	C15 H18 O7 N2	339.11868	339.11932	0.073803574	339.1187	26933	29283	23107	23285	38313	28960	15785	27787	41403	20235	26939	25857	61383	13384	19815	6901	35912	47319	39974	15356	37137	40491	27540	23711	8137	3222	3386	10453	25910	14990	25372	21298	46219	24381	32653	22114	32202	17485	38865	21189	30932	29664	467	0	0	13333	20349	0	26615	16452	22629	23464	34707	243	44297	25694	19163	30033	15827	23333	11741	12343	73203	55693	22757	54553	34144	44308	6388	10306	12400	22423	24312	17249	3970	22343	0	18553	22797	7831	18992	11766	11338	7423	34102	19640	19946	48256	35861	44317	15043	24181	54057	23025	6909	618	28633	27648	24953	39240	36138	21394	22990	18997	13187	36720	26042	0	14957	82085	Peptide	0.46666667	1.2	0.13333334
6	C15 H18 O7 N2	339.11868	339.11923	0.038093623	339.11868	346600	384365	315500	352290	230377	186950	195454	396179	306309	283381	237446	314307	313795	74541	275969	452580	430951	412731	478198	279716	401856	466657	353095	445657	131965	34203	193794	117964	320159	308003	346717	354892	483339	320120	373043	317859	445603	280614	568976	256004	449570	277595	4383	958	1690	312877	421428	1443	403195	332380	365084	366122	273121	1331	363197	185921	191850	387936	278513	405082	407916	221129	366837	300600	168906	322126	306452	610788	102871	111977	157374	319453	316829	282651	215686	288527	870	228619	251690	132345	235460	178841	183691	98503	221570	190607	269568	373484	370439	574983	146497	255317	622626	252240	245173	2680	356560	333475	154154	201347	228966	458067	286596	380722	222613	455811	191003	1482	198087	504187	Peptide	0.46666667	1.2	0.13333334
8	C15 H18 O7 N2	339.11868	339.11923	0.050848227	339.11868	505060	557711	414946	518737	286886	281427	300321	534841	369456	352964	288025	487640	387258	118923	424987	602056	775489	504405	652722	424092	468374	672785	520534	620291	225865	49257	341124	174845	451485	436648	482835	536224	599236	476582	537119	448575	648251	408419	894966	457909	614292	425939	3299	488	511	424390	512703	354	609750	480376	481568	504424	373601	1012	484490	216259	281860	494896	418923	474574	543968	343496	452333	475019	267626	459324	400875	874171	152853	168401	250613	494988	450440	362926	440132	470985	291	378348	442894	208154	379886	282144	275770	183075	298692	224150	453031	543393	524804	832978	222847	421081	897171	339570	324093	1486	491385	486030	254284	251972	265368	649617	411333	526308	247664	667193	255954	0	336148	612931	Peptide	0.46666667	1.2	0.13333334
18	C15 H18 O7 N2	339.11868	339.11914	0.19472568	339.11874	14055	15127	16963	18077	12731	13698	15622	10157	8582	8825	5683	13899	12174	7590	15659	23602	26284	15699	13337	6890	12072	26464	15750	20694	15518	0	18224	5772	16349	13094	17212	11007	21873	15316	8128	13990	23067	20774	26176	7890	10383	12202	901	815	682	9188	4715	492	20511	13014	16483	17958	12093	627	12315	5786	9736	21062	7431	8879	19986	7385	16630	9532	9546	12907	14702	24236	2613	1634	2733	17247	12224	10354	13412	10871	596	14185	23159	19219	15663	3638	5256	3599	10100	7978	21942	18531	14555	31387	12486	14858	32782	12366	13144	589	14804	15887	9342	7503	8770	24418	10435	13776	4107	24476	9463	642	15687	21210	Peptide	0.46666667	1.2	0.13333334
16	C15 H18 O7 N2	339.11868	339.11914	0.13000293	339.1187	82088	60620	64153	78268	44526	43787	82565	74881	41435	48296	56744	74447	45156	21565	75048	103940	202351	77150	71559	30792	25043	73090	67584	86450	63921	3519	60471	263425	73234	67102	68285	95417	119743	82567	43545	71673	129030	62195	244635	34511	35488	58958	950	664	529	30021	21229	742	102784	67021	71231	72904	60883	777	42591	24379	45396	113598	42927	38317	98356	30581	40375	39745	36355	59800	63913	229508	10449	14571	17966	66729	67430	41439	165878	79703	366	48142	73240	39734	48845	25177	35441	17287	33403	35220	89086	86721	67927	130121	77481	72747	108386	36166	44042	721	60384	64900	29246	25678	26450	132923	56828	40354	19029	119046	32427	673	69663	76028	Peptide	0.46666667	1.2	0.13333334
14	C15 H18 O7 N2	339.11868	339.11917	0.09209421	339.1187	144984	124192	125819	134235	82875	102962	131697	145386	98739	102593	88713	117541	113578	49520	136045	164083	198569	130123	131972	86175	95230	213854	157123	180288	115362	20541	112953	147334	141722	126045	129469	145921	195079	125311	128610	126772	175634	132067	223720	113380	124370	107065	0	845	523	104189	91299	793	155497	128665	130868	124382	108564	835	121939	59054	84258	192562	143005	116128	184498	94096	111766	113293	81003	124434	106523	198079	23836	43321	54871	132093	109195	111156	159187	115822	364	112194	151551	100771	120127	65125	89504	59538	80472	75281	157124	145046	128026	238630	162663	172380	286388	101943	105738	1156	130977	122416	58644	62445	66677	173494	113732	147393	52865	200845	73226	499	125055	139322	Peptide	0.46666667	1.2	0.13333334
28	C20 H18 O5	339.1227	339.12308	0.05475141	339.1227	3843	4578	3058	3746	5286	2036	1417	2881	2932	8333	5485	1812	5464	3802	2154	2007	2851	4333	7755	7865	9659	5042	2646	4849	0	13492	2246	4921	0	2318	2871	1794	1822	2740	8314	0	2197	1914	2965	4121	8955	2658	1128	0	0	4235	5233	1147	2203	0	3519	3529	4284	0	5370	4144	2250	4029	1092	1869	3425	3106	3064	3632	3216	6939	3544	2878	11802	15444	20451	1403	1829	0	0	1817	0	1337	3357	5373	3509	2728	2534	4498	5665	2070	3690	3546	3200	2777	3084	3898	3144	4428	5918	0	5268	5045	4004	4032	6010	3238	1864	2384	3105	1972	3001	0	1536	4682	Phytochemical	0.25	0.9	0.0
22	C20 H18 O5	339.1227	339.1231	0.10355218	339.12274	78416	84723	66929	80218	79766	55098	29887	51862	76491	156029	186495	30788	74818	58543	43845	49948	39583	95142	79755	166476	150135	109093	50640	67156	53863	349320	33188	163062	36991	41597	36573	32402	44836	37906	187555	35405	49530	41496	38719	137740	159849	46329	7624	0	2146	81527	104226	0	45096	53552	86191	83865	64592	3406	68396	70075	51130	48408	42217	40144	54976	91553	78492	59463	31180	88178	76224	45651	306800	275809	409427	42973	29347	27781	20304	33059	2274	33493	74662	96471	56331	68689	46058	102853	82754	59354	61387	51713	53770	54300	65576	66632	72519	115153	120431	5911	80091	80642	65759	78766	74345	54425	33936	61256	59290	46260	65192	0	49619	68848	Phytochemical	0.25	0.9	0.0
12	C20 H18 O5	339.1227	339.12317	-0.02282831	339.12268	23253	23560	21834	26635	9955	8290	19013	21966	13767	23875	18649	13230	8782	8335	15472	22806	15330	11303	11733	28101	27625	26717	16622	31019	11698	31928	13845	8652	17967	19102	16566	20109	12507	13958	27042	16310	18409	12313	20449	22386	29001	8949	1606	482	893	24927	18282	899	19256	20112	17126	22892	8885	491	12075	13481	9624	21127	16738	30302	0	17536	14054	9447	9601	12521	10127	21415	25091	41766	50119	14179	16810	17888	21507	19372	619	10440	18950	0	17947	20690	17008	14765	11670	12655	16474	6332	13135	32305	19517	18156	23636	13456	15763	1161	23478	26653	13377	14995	13940	18970	13644	23103	0	20218	8675	769	17782	9549	Phytochemical	0.25	0.9	0.0
24	C20 H18 O5	339.1227	339.12308	0.10646024	339.12274	35403	32849	29290	32918	37520	21589	8934	25450	32146	75651	79244	11410	43219	23748	16444	23299	16462	43834	43193	57872	68709	47750	23598	22693	18346	130901	9243	69007	16214	18248	17347	14204	17981	13803	73944	17061	17889	15283	14175	54661	71568	23154	5071	0	0	37019	48152	0	15577	25603	32654	31829	26208	0	36324	37174	20438	17010	19025	17187	23573	39314	42575	28169	15819	47225	31840	20560	135820	96957	154671	14892	15291	9899	8843	17335	0	14501	31100	41280	26887	29652	16387	47672	43222	20674	32381	17668	27362	21610	18217	23886	33712	49488	49654	5047	34473	33705	33822	41567	41586	19589	14037	23660	24420	18482	27545	0	20245	37029	Phytochemical	0.25	0.9	0.0
26	C20 H18 O5	339.1227	339.12308	0.08107542	339.12274	10452	8647	8818	8781	12265	5396	0	0	9914	17465	15046	4621	15700	6721	0	0	0	11894	17021	18779	18921	12438	8083	8006	7385	30922	2228	14494	0	0	5748	0	6028	2801	18719	0	6575	2796	7320	12986	19247	6374	0	0	0	9545	12784	0	6309	0	10270	11768	8280	0	6788	7794	6037	6904	5757	4804	7244	10431	17377	8671	4152	13955	7586	6909	39819	29780	40944	6176	3459	0	0	4931	0	3878	8164	14528	9237	8949	6617	8994	10891	0	8514	7387	6622	7356	3221	5883	10918	13476	16560	0	9576	9067	8574	13252	14188	5201	4124	6076	0	6915	11015	0	6884	10461	Phytochemical	0.25	0.9	0.0
14	C20 H18 O5	339.1227	339.12317	0.04975956	339.1227	41596	39243	35087	38623	26934	20841	21495	35449	25274	46820	39510	27180	25485	20824	25196	41261	34739	25427	34560	60167	57900	50259	28990	38454	32903	97087	28167	46556	26708	29691	34123	34482	33400	25504	58455	30376	34006	22287	36969	44737	53109	18667	0	631	773	36556	50144	1292	33761	34821	44784	39189	23888	0	24411	24250	23784	44475	21896	40676	37326	24770	22976	26308	20324	25246	24958	36920	80442	87519	110235	28282	27694	28883	28319	33290	726	26971	45310	31103	39399	33532	28723	34225	31685	20530	37812	21533	26752	54810	34049	21894	48127	34537	40054	1345	38224	33896	23788	30624	31065	29084	25685	40933	25892	34142	24647	624	31832	28609	Phytochemical	0.25	0.9	0.0
16	C20 H18 O5	339.1227	339.12317	0.10974153	339.12274	64739	68562	64746	61269	52597	37983	35710	57503	50001	101654	84893	41171	51041	36531	42985	59590	41766	55994	68852	106793	111397	70496	54272	67249	56960	192954	40701	63623	47898	45120	43551	52336	50515	32836	112480	49468	51972	46384	47678	85836	85377	34297	2526	936	1000	61084	66700	1480	54633	50184	65159	62347	46497	1087	40709	38139	34786	58380	40014	50409	52068	55128	55512	49346	31716	59134	40917	48375	145223	205440	265886	46141	47759	40886	35677	53402	1133	38280	60924	64069	56424	56228	40533	65790	61302	35163	65485	39409	37078	72400	46471	53150	79530	53488	74116	2333	62615	71125	46214	51314	52690	44490	35558	53656	40619	67190	43336	1145	46184	52253	Phytochemical	0.25	0.9	0.0
20	C20 H18 O5	339.1227	339.1231	0.11858523	339.12274	101795	120074	107337	100678	99468	69672	41719	72012	85372	203295	182855	47306	104333	76806	64744	81064	52203	104353	132067	199368	214707	124290	59676	96006	63310	456418	42031	166757	57308	55333	51479	61345	78896	62676	241562	51609	84138	49461	53761	164790	186775	62043	7383	2009	1462	106885	111118	2668	54823	61252	106281	102326	72766	2340	69937	73593	63001	69271	62404	59238	77787	106196	108029	80145	50237	102279	83518	52859	393335	392324	541785	52219	45694	44648	42202	49553	1431	51535	90555	114311	70790	75938	52130	140403	95513	66491	89138	78959	69305	88445	94775	90240	124835	131415	130705	4535	107778	109554	84850	86388	84005	64829	42919	85461	73155	71972	72322	2215	62645	97244	Phytochemical	0.25	0.9	0.0
18	C20 H18 O5	339.1227	339.12314	0.12774205	339.12274	100949	107891	103268	89652	81036	59263	46988	69944	76599	178125	159538	45819	82886	53627	57247	80818	58741	84720	117575	193681	171735	104211	72419	97731	57262	352463	45417	131617	57703	47607	62206	53047	76911	53921	171580	56146	69133	50627	68521	130160	144601	55712	4068	667	1318	101735	82862	1949	66041	62154	97823	94800	68654	1594	70929	60389	58334	80014	53775	52914	71190	84616	99790	68608	49413	83615	68298	64423	309358	357677	453869	63116	43449	52055	50152	64578	844	42885	92524	88226	82060	79193	52784	104884	85784	64875	79845	57979	60399	88196	86896	87928	119836	88838	103113	2410	87698	92738	69201	69324	65046	74858	48650	87112	52167	64105	58982	1198	65974	72545	Phytochemical	0.25	0.9	0.0
6	C14 H18 O6 N4	339.1299	339.13043	-0.04097296	339.12988	8985	9409	7983	8615	5307	3384	7519	9802	7468	4248	3786	10107	7453	2170	9834	13160	10090	8067	9540	4974	7547	13948	8295	13528	6080	0	6282	10974	9769	8889	8967	9176	10008	10135	7401	8934	9251	7829	15777	4285	8551	5292	0	0	0	5814	9236	0	12249	8494	8076	9110	4623	0	7417	3364	3977	11653	7406	9235	10486	4265	8233	6503	4265	7153	7389	16502	0	1733	3033	8141	7206	5621	7550	7867	0	6900	8217	0	6707	4934	6341	2166	6166	5879	10960	7857	9052	22673	0	10201	25721	5515	5350	0	8852	9965	3291	2680	3527	9399	9146	9583	0	12175	4676	0	7011	9038	Peptide	0.42857143	1.2857143	0.2857143
2	C14 H18 O6 N4	339.1299	339.13055	0.019421794	339.1299	8201	7800	8353	5918	7324	0	3544	8032	8423	2817	4647	8531	8558	3602	7732	947	10989	10301	7660	2349	6814	11613	10012	5989	4621	0	0	2614	5977	3941	7671	4829	10961	5718	5824	5515	9067	7535	10904	3247	6783	5522	0	0	0	4111	5451	0	6921	4644	5921	5758	7112	0	10804	4764	5445	8688	3367	5395	2587	2188	12458	8719	6106	10312	9201	12954	0	769	2139	5087	4927	4340	272	5202	0	4627	10255	3028	9125	2182	3015	1069	6866	5227	8456	10454	8395	29561	2961	4787	21787	3035	325	0	7756	7816	6509	7326	5141	5144	7975	4375	3039	12070	5843	0	6966	14704	Peptide	0.42857143	1.2857143	0.2857143
14	C19 H18 O4 N2	339.13394	339.13443	0.5705279	339.13412	7915	7233	6073	5684	4966	3383	4879	6003	8565	9986	9883	3592	7002	2963	3853	0	5095	7212	6020	17896	16486	9869	6197	7083	3383	33692	5799	20739	4931	4425	6616	0	7693	4129	13846	6148	7754	5260	7335	10459	14267	3995	0	0	0	7584	13687	0	4654	4121	7355	6338	3070	0	8239	4525	4791	5417	6837	5593	0	7072	0	8545	3769	9994	3373	5135	25509	22344	29939	4468	8024	4436	4828	6308	0	4025	7075	0	5246	4603	3958	10185	4106	3385	8554	4736	4734	13427	4567	5470	10067	0	10760	0	6224	7810	4117	4347	3247	8267	3958	8951	0	0	5007	0	8890	9583	Phytochemical	0.21052632	0.94736844	0.10526316
16	C19 H18 O4 N2	339.13394	339.13452	0.73101294	339.1342	7532	6824	0	6270	4906	6722	4129	7498	6796	15294	13628	3022	5509	4775	4796	6452	5352	7029	6651	17910	17452	7452	4447	10235	6509	22946	8176	16846	7856	4984	6589	4588	6789	4998	11476	4572	6507	4258	7315	13544	17397	4850	0	0	0	5760	8414	0	7438	6300	6814	7146	4811	0	9644	2887	2979	8465	5486	4550	0	6834	7382	6133	2970	7618	5507	4831	19499	22059	34035	5955	6842	3551	8832	4811	0	3807	12246	18688	5316	6137	4526	8823	4475	3530	6536	8778	8199	25904	6864	8442	0	10432	14202	0	8480	6172	4467	5583	4860	9192	4389	3993	5465	0	4721	0	4744	6918	Phytochemical	0.21052632	0.94736844	0.10526316
18	C19 H18 O4 N2	339.13394	339.1346	0.50433683	339.1341	18176	8227	22083	9510	8436	4606	0	17064	10702	19236	25284	3483	12713	4576	12113	13880	14778	9808	19444	38270	32060	13686	7258	15072	2867	52446	0	34350	8350	0	16115	7016	18301	0	24422	8992	14752	4078	14592	14730	32896	10842	0	0	0	15220	21084	0	11795	9429	8380	20344	7216	0	15408	6360	6312	14776	5132	11060	7265	13412	10808	11023	3993	19504	10466	22036	34606	38416	59472	12589	5233	6250	9431	0	0	2494	12516	26178	5946	7464	7528	19406	11088	10312	13076	4509	10242	17874	19332	22975	15092	10353	25848	0	15488	15962	4080	10894	3266	21134	5562	15812	8078	10360	4120	0	3140	12429	Phytochemical	0.21052632	0.94736844	0.10526316
8	C19 H18 O4 N2	339.13394	339.13455	0.28833383	339.13403	3325	4368	4072	2462	2457	1231	1267	3463	1498	11577	6312	1423	1378	1996	1966	2516	2535	0	2824	10035	7956	3842	2374	4518	0	19520	1173	8600	2009	1569	2773	3078	3183	1642	9396	2587	2711	1804	2902	7109	6094	1846	0	0	0	6029	8825	0	0	1039	1674	3159	0	0	0	0	0	2446	0	2078	0	3217	1771	1796	0	1094	2418	4311	11269	17370	20194	0	2109	1849	2238	1699	0	1705	3022	5062	1718	1814	894	6033	1535	0	2974	2400	2143	7640	0	0	5892	4854	9861	0	3688	2912	1238	0	0	2686	1460	0	0	3195	0	0	2437	1027	Phytochemical	0.21052632	0.94736844	0.10526316
10	C14 H23 O4 N2 S1 Na1	339.1349	339.13547	-0.34128267	339.1348	5677	0	4585	5714	0	2127	1953	4219	1784	12355	11639	2515	2393	2338	2690	0	4351	2799	3305	15602	14216	6103	2785	4718	3564	23765	2953	14397	4384	2306	3115	4495	2036	2654	9304	2592	5422	2944	4142	7917	9854	2425	0	0	0	8957	9390	0	0	2292	4361	0	2124	0	2296	1080	1650	4570	2344	2107	0	4516	1936	3033	1232	2402	3364	4467	17022	24746	33339	4307	3576	2893	2980	2522	0	1992	5021	8826	3606	2371	2629	7164	3289	1531	5268	2645	1790	9212	4299	4100	11649	8053	14183	0	0	4329	2321	2833	1455	4778	2361	5069	0	7746	1645	0	3132	0	Peptide	0.2857143	1.6428572	0.14285715
18	C16 H22 O4 N2 S1	339.1373	339.13766	-0.18783434	339.13724	18176	10590	24262	9510	8436	4606	0	17064	10702	19236	25284	4561	14270	4576	12113	13880	14778	9808	19444	38270	32060	16853	7258	16831	4356	52446	0	34350	8350	2023	16115	7016	20113	0	24422	8992	18006	4078	14592	17792	34862	10842	0	0	0	17015	21084	0	11795	10940	10591	20344	7216	0	15408	6360	6312	17138	5132	13836	7265	15045	10808	11023	3993	19504	10466	22036	34606	40029	59472	14360	5233	6250	9431	0	0	2494	12516	28416	5946	7464	8902	19406	11088	10312	14704	5983	10242	20459	23186	28864	18626	12358	30665	0	17004	19232	5299	10894	3266	24006	5562	19909	9412	10360	4120	0	4858	12429	Organosulfur	0.25	1.375	0.125
20	C17 H22 O7	339.14383	339.14423	0.04841213	339.14386	535229	562018	543247	461638	522363	548849	313541	547857	622699	725620	305073	328617	929014	339988	546470	471325	282029	928916	893286	740612	680170	532325	484941	557650	418161	458247	287739	275459	584716	462439	494753	526370	659853	495254	768193	484851	752367	375345	312485	619410	349987	386239	25297	17940	13119	402846	302865	17223	552013	425299	541395	556329	496331	12704	1018184	536420	344457	542787	511809	235489	505652	364482	767083	749747	256546	641057	463806	307382	411709	746083	575578	490462	491658	481174	322648	468975	11931	388084	491283	257274	403604	221844	360353	337492	459768	332012	438680	340629	435185	313800	533871	629037	625640	287705	367093	20315	542168	557390	390967	453127	466918	595354	370233	573817	252326	448862	384645	17954	350603	972153	Phytochemical	0.4117647	1.2941177	0.0
24	C17 H22 O7	339.14383	339.1442	0.055164456	339.14386	57489	60335	50393	59357	53383	57370	33290	68767	62592	71048	36475	46627	97792	41108	60215	70428	42430	84830	96754	61239	69485	57034	74408	69561	40640	33614	30871	30099	56913	53261	49920	60595	73096	60852	77619	63235	78589	42885	39984	55715	45884	43056	12390	8106	16300	50957	35797	10280	64501	53386	65228	57369	51256	13039	99390	56359	42397	74103	46667	24882	67484	35549	85682	70962	30761	81306	46137	39090	40448	69323	57302	60066	59086	51939	38770	60792	10992	48516	75174	23384	56016	31291	43441	34534	71865	35907	64573	41711	54778	46026	56571	58433	84794	25780	50510	11168	63359	50453	43102	48948	54612	61507	45826	56035	34918	55405	43601	9421	38934	92122	Phytochemical	0.4117647	1.2941177	0.0
22	C17 H22 O7	339.14383	339.14423	0.073800705	339.14386	170438	163087	145408	147041	156326	154817	97153	158874	182217	188645	89881	98190	198588	101578	159412	139014	106681	264321	203047	186440	191256	156961	157289	173783	133208	115069	85322	71765	174639	133871	138172	152285	193510	159512	188072	159522	207194	122314	112428	144384	103851	112159	18913	15035	13133	120603	96120	13579	154239	127996	162145	154278	139862	10399	263863	149789	110076	165874	119035	75369	173110	99829	230795	193836	72929	184298	126528	102426	127203	214829	173794	159025	131684	144651	89126	143856	10058	129245	175268	66868	141198	77261	101927	94513	172898	111097	158597	111490	131775	104805	163191	183758	181570	88251	122292	13551	153469	157257	119475	164200	139271	176684	122797	146753	76854	147551	114952	13611	106548	266431	Phytochemical	0.4117647	1.2941177	0.0
16	C17 H22 O7	339.14383	339.1443	0.067387104	339.14386	2352815	2319805	4661466	4855830	2032087	1883184	2949278	4334724	2465661	4468858	2141460	2712130	3100008	1317160	3851054	4305776	2823722	3491404	3589627	4805159	4214830	4652956	2069932	4551274	3270422	3033440	2488900	1924678	4213274	1881036	3894640	2159612	5243958	3659140	4828256	4034992	5317382	3152142	1626447	6155122	1926980	1761254	63947	16321	17857	3832396	1443204	17080	2406960	3936456	2448551	4770234	2037228	19089	3459579	1992512	1395468	4879478	3610468	1225745	2161072	1990519	3068126	2568047	1039034	2607778	3859270	2784816	2366960	4813371	3269566	4035286	4022862	1885993	1444431	3875686	13545	2822278	4022306	1274730	3088040	1303205	1647269	2059653	1998149	1420670	3787078	1587349	3776290	1749707	2235045	5353080	2652321	1522162	2368871	31303	2289070	2504046	1698439	1704405	1885385	2343090	2508690	2185887	931751	1865971	1801046	16643	2939380	3193313	Phytochemical	0.4117647	1.2941177	0.0
18	C17 H22 O7	339.14383	339.14426	0.06352108	339.14386	1655426	1558572	1584618	1451984	1430292	1335604	987585	1502583	1591072	2738318	1121628	851081	2489622	965086	1358028	1352414	801173	2570491	2616326	2853272	2262383	1633969	1401849	1544393	1057752	1524901	787695	1154637	1561603	1231665	1315803	1438621	1895344	1359386	2773154	1407178	2012072	1091456	844363	1986402	1040588	1134779	49567	13158	15021	1125930	718429	14564	1507362	1175236	1546511	1515098	1319145	15121	3040570	1411082	946745	1554267	1346458	689330	1441213	1276402	2124578	1871819	738578	1743637	1322037	828592	1376957	2515882	1792377	1312790	1158607	1291766	877171	1295767	10778	1011021	1339696	744630	1107846	746094	963287	1030126	1243546	1076306	1220864	988941	1311620	812081	1589912	1962614	1636002	825331	1428920	22856	1560673	1540868	1146074	1098219	1151216	1678258	885613	1534904	567264	1108595	1067545	14544	931519	2179937	Phytochemical	0.4117647	1.2941177	0.0
4	C13 H23 O3 N4 S1 Na1	339.14612	339.14658	-0.33035776	339.14603	1137	884	911	0	0	3463	0	0	631	0	0	0	0	24311	492	0	3490	0	4057	0	0	0	416	1931	531	0	0	0	0	0	0	809	809	0	0	0	782	727	2886	0	0	3619	0	0	0	0	0	0	0	0	0	1333	12633	0	1193	3145	0	0	0	0	0	0	0	1300	0	4463	5066	2711	0	0	0	0	0	0	0	424	0	703	0	0	0	0	0	0	0	1373	624	1690	0	546	0	1727	1421	0	0	0	1650	1933	1136	819	770	0	0	0	0	650	0	0	0	1599	Peptide	0.23076923	1.7692307	0.30769232
18	C16 H22 O6 N2	339.15506	339.15546	0.00273829	339.15506	20062	18179	16623	18367	15129	13814	14915	27732	7939	4917	4549	13025	13864	4837	20868	28311	20283	15488	23888	15299	10007	27334	19557	26939	21462	4049	9932	12244	28918	17773	23008	26723	40183	26409	8371	23577	35536	17429	23392	10748	12335	14175	433	424	0	12723	11726	0	27891	19695	17668	16948	17002	262	17541	4037	12516	33365	16948	15676	27778	8857	14237	15699	7175	19575	15126	18272	1651	3844	3485	20933	18139	20582	13161	16620	315	15750	14445	12588	13195	9241	14761	3235	4448	10273	19948	17985	18418	21977	32552	36817	49333	6709	12673	458	22325	18794	5394	4093	3876	28286	14429	22617	5371	26858	7941	0	22987	23921	Lipid	0.375	1.375	0.125
26	C21 H22 O4	339.1591	339.15952	0.07820205	339.15912	31770	36023	34194	34097	35032	23965	13966	32791	24868	38513	58257	19587	40950	21889	23347	25002	25057	32136	54376	53376	55277	44546	27161	38423	21919	108702	11964	54763	25286	28970	24250	27278	31672	25949	47922	31359	35907	20822	28424	42330	48695	32096	0	0	0	39170	28746	0	31644	29270	37243	34296	30974	0	32692	24102	22304	33535	22099	19004	39152	29755	31986	21060	14055	41039	47854	32360	108068	75819	100472	27629	21794	28307	15796	29946	0	19348	38180	26901	26066	24325	27309	39521	33102	20970	50906	28726	29121	37131	25897	29852	46592	41028	34852	0	38363	38107	21993	36120	38729	38243	17858	40811	18265	26410	22486	0	29372	33286	Phytochemical	0.1904762	1.0476191	0.0
28	C21 H22 O4	339.1591	339.1595	0.020446112	339.1591	12223	7878	8838	7158	9745	6614	5786	12696	7308	9270	11718	6379	11822	6972	6220	8995	7370	10637	15316	14505	12060	11233	7478	10368	7572	18742	5409	11708	8277	8680	8163	9064	12217	7441	13661	10442	8549	6864	9645	10102	15261	10307	3177	2458	3248	10072	7746	2596	9107	10999	10452	9296	11075	3561	6632	5269	6507	11311	6193	8438	13120	6743	8639	7536	5385	12106	10503	9540	25754	20563	27899	8226	7697	7806	6036	10039	3956	6134	10828	11198	8366	8370	6641	8416	9231	5534	14456	9107	9815	12476	10627	9685	12384	7634	9180	2499	10579	9598	7351	11077	10075	12768	6771	10101	4058	11515	6019	2491	7969	8406	Phytochemical	0.1904762	1.0476191	0.0
24	C21 H22 O4	339.1591	339.15945	0.0668941	339.15912	128959	116794	108988	117750	118131	86627	50388	97518	86333	171353	206128	61042	117924	73015	70961	118395	92636	117822	162362	220771	217704	128383	82412	126347	79099	482351	45147	207687	92884	91435	82189	90155	99929	78065	209986	102376	119591	60067	89383	180039	205076	92504	12053	2673	0	113859	114775	3744	93123	77588	121965	104404	109075	6577	81510	82220	70356	92413	81487	67422	109987	131484	98146	74846	59767	146556	144420	93756	399435	346931	429135	92853	68320	70582	51219	80100	0	65957	115468	106706	82372	86160	82965	147175	98171	69171	125093	94058	98487	135718	106694	107679	158420	120336	135042	6944	112861	125264	91412	89782	91718	114374	58404	128798	86606	103763	81989	2176	83602	94352	Phytochemical	0.1904762	1.0476191	0.0
20	C21 H22 O4	339.1591	339.1595	0.07182412	339.15912	173552	190984	175851	167016	144528	100399	102526	165908	131697	231423	213559	110947	128827	110083	148398	198081	154602	135533	173761	268956	276919	201058	130684	179599	121973	619001	106028	179108	143890	138277	122652	151737	167226	139172	233538	142639	181883	111683	165173	243503	276270	118103	6682	2055	1278	143705	186003	2597	164923	148447	171487	187223	134248	2035	115361	103317	104780	177517	122238	129825	160675	134714	128863	119797	82745	153857	132661	160834	496227	523815	781039	143707	141689	128221	141350	142066	1023	105562	174703	151954	146626	106081	127147	182854	145581	109878	191256	132878	128976	237931	173233	168577	250791	147793	166623	3261	172046	173570	127601	128993	140357	182876	108477	174651	109268	167417	117210	1623	143888	146048	Phytochemical	0.1904762	1.0476191	0.0
22	C21 H22 O4	339.1591	339.1595	0.06204647	339.15912	193626	196717	176106	181822	184827	130134	80860	162471	149378	277071	310394	98989	146372	120941	121059	181059	146548	172742	186088	345080	358346	214113	143448	187828	139296	858350	86530	293363	149531	134541	135011	152247	177038	152869	286891	141814	182279	110586	141613	269312	344456	139976	10800	0	2613	172284	193639	0	151813	143834	181455	182124	160660	4172	125595	126012	106798	174645	119387	142338	178110	190045	151829	111516	89082	181059	178175	160067	669119	673297	878557	138997	123426	109735	109813	146146	1786	101795	175733	162335	133142	129147	122279	208118	155364	120821	184549	159865	141756	198703	179425	193023	242193	191474	219969	5615	177486	191045	134089	133582	127950	180115	107998	192555	124159	179144	127477	0	139553	153405	Phytochemical	0.1904762	1.0476191	0.0
10	C14 H26 O9	339.16495	339.16553	0.06846171	339.16498	4471	2224	1691	3816	1907	1429	2227	4785	0	0	0	2311	1506	0	2106	3975	3561	1268	1349	1845	0	3377	2115	4690	3758	0	0	0	3790	2620	2756	2777	4295	4343	0	3472	4074	2272	2732	0	0	1918	4119	2206	2225	2430	0	2394	3024	3389	3245	2881	1415	1985	1204	715	1402	3718	0	0	0	0	1528	0	0	1144	0	4548	0	0	0	5025	2828	3063	3213	2943	1575	3059	5932	0	3905	1454	2165	0	1024	0	3655	1583	1139	7128	6786	1941	10037	0	2148	1345	1566	2767	0	740	840	2891	2211	2637	22219	4963	0	2540	3151	1430	Unclassified	0.64285713	1.8571428	0.0
20	C20 H22 O3 N2	339.17032	339.17044	0.15255952	339.17038	5678	7352	5262	3559	4524	6129	4299	5086	5398	9181	4529	4296	4799	3514	4897	3780	6931	7748	6303	15900	9182	4146	5247	3567	6841	0	4967	4535	8032	4585	6946	3665	9025	5048	12090	6281	12060	5374	5999	5763	7806	4307	0	0	0	4453	4394	0	7267	4617	6633	5962	3799	0	9167	3803	2824	6466	5296	3803	5584	5712	6406	3641	1786	6420	6260	4844	7793	14300	9136	6001	5586	5252	4600	6871	0	2491	6031	5802	2465	2530	5471	0	4354	3187	5243	3261	4473	15228	26872	7370	11952	3898	3764	0	6972	5575	2616	6005	5706	6203	4801	8612	3214	6074	4170	0	2751	8850	Phytochemical	0.15	1.1	0.1
18	C20 H22 O3 N2	339.17032	339.17105	0.35788897	339.17044	10273	10922	10477	11798	6283	4206	8014	9892	8182	12141	8026	6749	11009	3524	7273	10209	5294	10272	12372	22255	14713	8307	8183	24684	11273	17171	5813	7081	11810	8360	9110	7209	4492	8841	16360	8512	11800	7143	6346	13287	11599	6414	312	316	0	11914	23883	0	10259	9872	11821	10112	6181	0	10820	9616	6116	9974	4931	4660	8207	7784	7844	7452	1798	12047	5319	12798	11327	25154	18440	6566	10349	7406	5509	7761	0	3179	8090	40008	7225	3190	6906	6524	7202	4765	14765	5787	4970	185583	130544	10460	61291	14643	14286	0	12220	8532	7098	7793	8852	7072	4267	10619	9802	34440	6327	0	10645	9482	Phytochemical	0.15	1.1	0.1
26	C23 H23 O1 Na1	339.17194	339.17233	0.5785936	339.17212	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2733	8758	0	0	1953	0	0	0	0	88525	0	0	0	0	0	0	3934	0	0	0	2679	0	0	0	0	0	0	0	0	0	0	0	0	3502	0	4361	0	0	0	7018	3739	0	0	2315	0	0	0	0	0	0	0	0	0	0	0	4325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.04347826	1.0	0.0
2	C25 H22 O1	339.17435	339.17505	0.15002614	339.17438	6751	3806	3119	4012	1937	0	3819	5714	2302	2836	2015	3124	2985	741	4489	2282	14512	3114	3277	8070	10044	5628	3975	10906	6456	836	1397	5647	4523	3427	4430	11422	16258	9000	3954	3852	11986	7570	6105	9502	4608	0	0	0	0	6846	7110	0	11840	3333	3457	3249	6090	0	7378	823	1425	5184	5704	2800	2838	2091	2039	1943	0	2853	6298	18462	772	4720	1900	4105	10342	3957	4230	3558	0	3385	11258	32704	7734	1684	2290	1785	945	1980	8314	2382	2808	22802	23733	16125	10063	5464	1967	0	4082	4045	1228	809	570	4055	3726	5480	2107	11956	1583	0	8454	3358	Phytochemical	0.04	0.88	0.0
6	C18 H26 O6	339.1802	339.1808	-0.09168629	339.18018	19128	8518	10592	8403	9934	9042	19550	10210	10530	5756	10330	17124	3854	5106	18282	17888	9162	4176	8163	8387	6356	11557	19194	16538	16638	10466	18362	5577	12105	21556	9545	19288	18360	6735	8190	12726	13908	15812	11394	5165	14136	5009	1806	1415	2199	9138	9393	2013	10796	9878	13834	7352	10792	1772	7427	4878	5359	9227	8443	16416	19328	4214	9186	3936	3434	9462	4893	11788	8229	5779	4982	6968	13360	22310	10946	10948	1540	7096	18690	7093	18002	8374	23230	3945	6011	4038	21242	7364	10178	10761	11746	9107	9520	13728	11956	2108	14270	9732	8746	8621	7357	14182	8288	8233	0	14106	7906	1667	16566	10236	Lipid	0.33333334	1.4444444	0.0
26	C18 H26 O6	339.1802	339.18063	0.11881257	339.18027	42843	42184	37171	36842	35465	27729	48066	45116	40598	35864	23239	30494	61997	35392	36299	55065	32334	50668	59170	50238	44428	33243	32406	42096	27367	30955	49916	21612	46366	47583	42084	51622	56092	38038	36882	52169	57257	27825	39918	31863	25435	33568	5315	6558	0	23482	18804	4971	53055	41706	40278	39447	37664	0	54204	39211	28037	52681	29259	21102	51061	17389	52701	36610	21111	49518	39610	39032	29804	41642	42379	38908	41613	50371	37949	43713	0	33942	36753	19530	26521	18938	50802	42029	42080	22242	39406	29985	33392	36002	53455	42879	53620	15222	31974	8499	40508	45212	30639	48652	44958	66448	35588	38420	24169	33820	31819	6365	30762	48359	Lipid	0.33333334	1.4444444	0.0
14	C22 H26 O3	339.19547	339.19586	-0.077609606	339.19543	7048	4812	8276	9815	3125	2978	11223	9153	3564	3594	5323	7176	1555	1890	5742	11415	17004	0	2869	4457	2641	5484	5978	8499	7621	6552	11253	0	5051	6531	8721	7252	8835	3463	4202	7718	6236	5827	16902	2767	5460	4049	0	0	255	2993	3754	482	4459	6444	8941	7304	5842	0	4438	6152	4010	10513	0	10046	0	0	4364	3023	4751	2021	3956	17905	0	3649	7228	4597	4400	8896	10147	8537	0	4571	11509	0	12867	2311	8958	5027	6873	4644	17232	3072	2280	20526	3013	8082	7563	3508	5449	0	5565	5189	4004	9527	9964	4175	6302	8930	0	7966	2907	0	10977	1964	Phytochemical	0.13636364	1.1818181	0.0
18	C22 H26 O3	339.19547	339.19586	-0.03810246	339.19547	53280	60635	49589	52384	39469	26655	57214	63270	39752	37840	43202	49440	31607	25457	44852	73740	107079	34787	57155	50241	54632	47189	45599	53906	42256	73824	69255	41259	48125	56902	48814	55539	64496	45031	38183	54316	47363	51298	123677	37911	56899	35242	1294	447	543	27054	46038	458	53204	56601	55692	61982	31025	652	39349	38463	38821	66863	31717	60888	53134	27380	36443	34580	35657	35796	31813	119544	63800	56678	109430	33165	33007	59418	96064	60006	447	35973	85339	45478	62222	29784	43634	32085	62923	41698	78291	33554	41174	124825	50004	53818	61247	29635	37900	0	55864	44693	39966	62818	69660	66823	44264	44746	21058	53894	45045	601	64701	30055	Phytochemical	0.13636364	1.1818181	0.0
26	C22 H26 O3	339.19547	339.19592	0.0984794	339.1955	97207	99405	94274	96838	101811	56077	48394	117993	73455	88042	150232	73012	82106	67016	84860	113394	123644	84690	133064	140557	142068	127452	66409	129655	97937	345886	60657	154237	126352	137835	109025	123032	123396	90301	124697	145035	118152	72985	127975	127813	136062	90936	0	0	0	91468	75650	0	111172	116037	101056	101035	94091	0	67303	69955	58396	114895	78888	67835	112911	89507	62659	66687	47394	102047	108994	127935	304013	189718	252937	86810	81534	122064	92040	120579	0	75101	101768	106488	69708	80857	79292	122662	100671	69354	122685	81933	83734	101260	92709	92102	136258	117344	130664	0	101810	110111	69140	84169	112816	173054	70644	136477	78058	97555	88070	0	99731	62473	Phytochemical	0.13636364	1.1818181	0.0
28	C22 H26 O3	339.19547	339.19586	0.021808581	339.19547	12583	16291	16009	13931	16481	8326	10453	20491	13522	10648	15089	9609	13740	11774	13275	16499	16206	12493	24882	17894	17001	17153	12718	18738	15663	37749	11396	19841	18611	19785	16886	17330	21130	16672	18047	25982	18228	9505	18561	12995	14181	15201	1666	1382	0	11189	9135	1514	19431	17661	16971	13870	16551	0	13793	13728	9682	22006	12045	8886	20286	9339	9343	10729	8925	18335	21061	19765	26581	25249	29103	10107	12054	18963	11029	16138	0	12509	14151	18690	12097	9848	14246	13510	18671	11379	25054	10009	13920	19981	13316	13816	25151	14482	11110	0	15592	17877	12873	22149	24193	26213	10449	17458	11436	19759	14411	0	12669	10909	Phytochemical	0.13636364	1.1818181	0.0
26	C19 H30 O3 S1	339.19885	339.1991	0.081091195	339.19888	7435	7687	7716	7993	6931	4612	0	0	2974	4168	8183	0	4558	2156	0	5804	0	0	5853	0	0	4757	11011	0	0	0	0	17782	0	0	3236	0	4342	3557	6231	0	2612	0	2972	4517	7486	29547	0	0	0	0	6053	0	6849	0	5859	5193	6195	0	0	0	3879	6621	4482	5544	4779	2919	0	0	3132	15112	21021	4562	0	0	3302	0	0	0	0	2781	0	3156	0	13572	0	8761	7855	4577	0	0	6165	4718	4790	4088	97508	152886	4180	10191	0	0	6131	0	6078	3134	0	4650	2995	8910	6294	3251	4901	0	2719	1876	Organosulfur	0.15789473	1.5789474	0.0
10	C15 H30 O8	339.20135	339.20233	-0.092966005	339.20132	0	0	0	1040	0	0	0	0	0	4109	6185	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11957	0	0	9351	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2783	0	0	0	0	0	0	0	0	0	0	196684	0	0	0	0	0	Lipid	0.53333336	2.0	0.0
14	C15 H30 O8	339.20135	339.20178	-0.038819283	339.20132	11503	8371	12419	10422	7713	8150	4627	3027	5654	10518	13049	5194	7674	5958	2485	0	0	2512	4300	14971	4306	11537	2249	0	5400	3830	4170	14655	2339	1582	3874	0	3792	2957	5011	4105	2768	5470	6209	14621	5798	4850	17313	11515	7904	17680	0	11061	1543	0	8450	8573	7691	12538	2201	3714	7523	7265	28854	0	29458	26132	26553	6819	24455	21297	17674	6027	0	16084	6186	2201	3736	2974	3196	2820	8503	5529	4386	0	2581	8341	5206	3166	5807	12074	3375	12311	4984	0	20219	14702	5781	12268	6003	10245	8687	9002	8063	4297	5504	0	6182	10215	595998	6357	3859	11743	2430	9817	Lipid	0.53333336	2.0	0.0
26	C19 H30 O5	339.2166	339.21704	0.10193264	339.21664	80493	75633	78112	71131	75009	61104	112840	93980	59676	60170	57980	48622	93145	81269	68321	127836	120395	94961	119615	81869	76915	59515	47349	56487	80374	30220	96265	122264	104063	108290	70057	106100	137059	68895	81187	112600	117689	53667	127397	48281	31145	68992	9023	0	0	55505	26608	5849	150610	82829	76193	74164	70032	15086	95190	75462	47531	162642	80952	25294	121536	44534	72485	61968	49408	109829	104513	119796	22521	46875	21198	43419	62554	146077	65358	97010	11907	56758	43260	106223	28098	89909	86968	49612	59068	56413	73562	42864	70593	60375	170349	164980	82931	47557	57391	0	76366	92272	46535	64329	75656	155697	43405	77104	148659	63105	54623	0	52900	75621	Lipid	0.2631579	1.5789474	0.0
14	C19 H30 O5	339.2166	339.217	-0.02010077	339.21658	7644	4653	7381	4781	3233	2647	11304	10124	2489	0	0	3875	0	5382	6643	8387	15001	2972	3488	2246	1886	0	3736	2538	4761	3420	16427	0	6575	10171	7661	9749	4857	3695	0	9042	4124	5141	15025	0	0	3025	0	0	0	1964	0	428	8333	5499	4815	3976	2887	341	2311	3880	4332	12086	0	0	0	0	7361	2780	3854	1905	2793	13963	0	2335	1737	3171	5984	11373	14796	4961	0	2117	8919	0	7309	1456	15172	10309	6164	5124	11897	3436	4488	23627	8388	4296	8303	0	0	0	7995	8189	3463	9043	8484	3831	2345	4054	0	7753	3197	0	6492	0	Lipid	0.2631579	1.5789474	0.0
16	C19 H30 O5	339.2166	339.217	-0.041007366	339.21658	14533	19862	15899	18156	14012	9312	45110	17566	7802	3877	8113	14642	12335	16064	16247	30617	44802	9438	10169	5787	5663	12841	14797	13163	13731	16706	49249	7944	19725	20949	17778	23012	22889	10936	6751	32065	23716	12999	41342	3353	7721	13470	1388	0	0	7219	8386	0	29676	24450	19230	20119	9570	386	12249	18946	16881	28801	4227	10843	25348	2018	15554	8734	13527	11910	18490	38085	3207	7028	10586	11205	18834	26261	35171	19155	0	9976	27861	16427	15347	9531	80280	75211	21880	18943	35344	11935	11911	46356	18657	18417	0	11998	5805	594	18474	20568	12189	29022	45713	30036	8147	11619	0	20671	13802	0	22273	6401	Lipid	0.2631579	1.5789474	0.0
6	C18 H30 O4 N2	339.22784	339.22833	-0.044663846	339.2278	4192	5686	6386	4808	1580	1366	2954	7731	429	1655	0	3673	0	807	4742	17106	4549	1722	1854	4928	2977	5210	3941	17562	8574	1127	3268	0	5995	5346	5315	7165	7143	6384	3262	5083	5499	3151	5307	2985	1176	1624	0	0	0	2694	1749	0	6665	4762	4745	5741	2926	0	2203	0	664	20849	0	0	12121	0	804	839	1160	746	2140	9355	0	3294	0	3435	4340	3589	4776	3487	0	2755	2748	0	2443	0	405	1166	0	986	10702	2689	2657	26019	15368	3054	20377	1844	4853	0	5511	3911	0	0	0	7492	2667	4091	0	8104	0	0	6567	0	Lipid	0.22222222	1.6666666	0.11111111
8	C18 H30 O4 N2	339.22784	339.22833	-0.006512539	339.22784	6529	6094	3050	5258	1118	1124	4222	9650	0	1570	951	5321	0	0	8752	20908	7388	1513	2690	4902	3226	3923	6311	10134	10908	663	5821	0	10982	4712	8052	14367	6266	4197	3909	8789	7204	10828	8271	1591	758	2861	0	0	0	4811	0	0	16437	6835	9014	5016	654	0	0	0	1879	27615	0	0	19400	0	0	981	2181	881	1973	9973	0	2455	0	3389	5975	4160	7352	5415	0	4434	5590	0	4227	0	0	1306	0	0	13479	3158	6544	25883	22755	0	13391	1881	3149	0	6508	5633	0	0	0	5690	4288	4731	0	10963	0	0	10233	1713	Lipid	0.22222222	1.6666666	0.11111111
10	C18 H30 O4 N2	339.22784	339.22824	-0.022714164	339.2278	4130	4766	3598	3081	0	0	5256	8192	0	0	0	5276	0	0	11684	19542	5163	0	2347	1604	1537	1830	6423	7574	11966	0	3239	0	9464	4637	5727	12364	6592	3039	2656	7359	7078	10091	5994	0	0	2043	0	0	0	3849	0	0	9964	4913	4651	3083	1950	0	0	0	0	20256	0	0	9403	0	0	0	1689	0	1622	11688	0	2695	0	1810	2541	4634	5683	7056	0	3649	4854	0	5425	0	0	0	0	929	6410	3176	6690	10122	9677	0	10249	0	1170	0	4855	4534	0	0	0	3888	3768	4307	0	7767	0	0	9549	0	Lipid	0.22222222	1.6666666	0.11111111
24	C18 H30 O4 N2	339.22784	339.22812	0.03978651	339.22784	1839	1786	1526	1513	0	0	0	3559	0	0	0	998	0	9986	1341	34747	0	0	0	0	0	0	0	28762	3296	0	0	0	0	0	0	0	0	0	0	0	0	2020	0	0	0	0	0	0	0	2730	0	0	0	0	1805	0	0	0	0	0	0	57553	0	0	36227	0	0	0	7568	0	926	0	0	0	0	0	0	0	0	0	0	0	0	0	1160	0	0	0	0	0	4231	0	0	6563	2319	0	4486	0	0	0	1821	1815	1744	0	0	0	0	0	1588	4017	0	0	964	0	Lipid	0.22222222	1.6666666	0.11111111
28	C21 H31 O2 Na1	339.22946	339.22995	0.10338103	339.2295	0	0	0	0	0	0	0	0	0	0	1797	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18020	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2522	0	0	18209	14965	0	0	0	0	0	0	0	0	0	0	0	0	29533	0	4925	0	0	0	0	0	0	0	0	1196	1116	0	1940	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0952381	1.4761904	0.0
20	C23 H30 O2	339.23184	339.23227	0.073628	339.23187	6192	6304	8689	8610	7209	3708	15856	5434	5782	0	6748	9103	7370	6183	9373	9876	28545	2553	7838	4321	2861	3583	5080	4638	11630	6697	13320	4559	4805	10616	4660	9716	9060	3532	3385	8346	7155	8689	35052	1757	8508	3807	0	0	0	0	4569	0	8483	9065	9551	11253	7330	0	3746	10943	8243	16065	3873	9940	7696	1030	2426	3916	7020	4529	6266	32664	5614	4024	5854	2663	6403	11581	21695	10660	0	4447	16180	6246	11251	2868	8241	0	14778	9451	16767	5849	7218	28819	9343	4188	9523	3505	4398	0	6482	9010	6711	22907	18268	11332	7406	8237	3767	8493	13160	0	12426	3152	Phytochemical	0.08695652	1.3043479	0.0
24	C23 H30 O2	339.23184	339.2322	-0.002637111	339.23184	64069	61907	50598	63929	61482	33908	52800	57404	45920	35178	63638	45293	33782	43149	73845	96152	111032	47169	85796	56097	57308	41498	43472	52539	60420	122956	58015	67589	51746	71334	47635	65824	68561	46816	48566	80685	62727	69947	114148	40355	64093	139560	0	0	0	35323	49755	0	63478	58939	55288	60257	58552	0	55938	63835	56179	75894	31344	45836	62410	28359	41654	39137	47824	44606	56862	114834	77717	67277	115460	29466	39289	65904	80136	70833	0	45864	72131	57214	51336	38553	45225	42120	82663	70928	97337	44128	58209	120357	57200	50704	67187	45249	48325	0	59837	61604	57988	88149	93128	87581	51238	57804	31036	50208	67814	0	68110	27228	Phytochemical	0.08695652	1.3043479	0.0
26	C23 H30 O2	339.23184	339.23227	0.034686033	339.23187	57640	59127	57476	55220	62372	37485	51308	66404	51365	32641	63041	43543	40929	41822	79452	87375	80125	48037	92372	53284	55109	49180	38489	47831	66646	171090	58294	86120	59813	83753	59680	74929	74311	42834	46246	87112	65452	72541	79886	51005	61539	185091	0	0	0	38639	38824	0	58642	61317	64290	54829	55451	0	53663	72813	56976	72872	38764	39521	66090	31615	39363	39567	35894	49425	69708	93638	121535	73960	111102	29598	45017	82579	65213	68355	0	54157	63728	81837	37120	45407	42771	52461	80084	68580	98780	45607	54073	90666	54655	52183	63945	61786	48557	0	62831	60295	49594	93199	93878	95263	55830	67267	39749	46526	64561	0	71693	29503	Phytochemical	0.08695652	1.3043479	0.0
16	C16 H34 O7	339.23773	339.23816	-0.02135518	339.23773	3186	1822	2980	2783	5596	0	0	0	1235	0	2130	0	3703	19261	0	1717	2310	3004	0	2111	2261	0	0	0	0	0	0	0	0	0	0	0	3492	0	0	0	3809	0	2767	1760	2932	1931	6091	0	0	0	6635	0	3259	1359	3317	2244	2674	11323	0	0	1897	1643	4429	1955	0	4399	4376	0	16801	7044	11239	2421	0	0	3624	0	1343	0	0	0	0	0	0	0	0	0	0	0	0	2169	0	8609	0	0	0	3093	0	0	2905	0	1590	1864	1263	0	0	4579	0	4450	85268	0	0	349	0	3004	Lipid	0.4375	2.125	0.0
14	C16 H34 O7	339.23773	339.23816	-0.08357063	339.2377	16069	9358	12307	11591	6376	0	0	26552	3055	6052	9487	0	12898	5978	0	18920	6237	5979	0	33687	10048	8763	0	0	0	0	1380	0	4522	6682	5038	17103	13456	13707	14814	7597	16246	0	8817	33553	20810	7907	10672	0	0	28342	15539	531	28585	9423	9069	13229	8142	18240	2108	5690	14553	21953	6492	8648	0	6377	19059	0	6515	27722	19054	10397	0	24398	10719	30670	4014	1607	11270	6192	0	0	0	16552	0	0	0	972	0	0	0	13048	0	10689	31886	5730	8530	5694	11188	618	12773	11306	1772	0	1737	14617	0	44675	139976	12404	1060	0	0	8704	Lipid	0.4375	2.125	0.0
12	C22 H30 O1 N2	339.2431	339.24353	0.001863414	339.2431	1432	2285	0	1899	0	0	0	11930	0	0	0	4177	0	0	3981	6651	2939	0	0	0	0	0	2770	4868	3409	0	1945	0	9803	12338	8842	7874	3860	5330	0	8473	2447	6045	1690	0	0	0	0	0	0	0	0	0	21811	9043	0	0	0	0	0	0	0	3612	0	0	0	0	0	0	0	0	0	7874	0	0	0	12066	8482	5520	9754	13070	0	4373	1119	0	3457	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2007	0	0	0	0	3960	0	0	7878	0	0	2951	0	Lipid	0.045454547	1.3636364	0.09090909
26	C18 H35 O4 Na1	339.25058	339.25082	0.0748607	339.2506	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6557	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13134	0	0	0	0	0	0	0	25425	0	2106	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15194	32108	0	0	0	0	2160	3799	0	0	0	0	0	0	3000	12962	104426	0	0	0	0	0	67516	0	0	0	Lipid	0.22222222	1.9444444	0.0
22	C20 H34 O4	339.253	339.25336	-0.005857411	339.253	15117	12485	14783	15415	10201	5886	210761	19256	3028	0	6231	5160	4236	45927	5758	21501	27377	0	6811	2146	0	3147	5248	14747	9549	23134	207706	19612	10715	7823	6458	12877	12271	8482	0	15182	7887	6258	30513	1773	10615	8428	2924	0	345	5675	9105	0	8386	16348	14335	15197	5124	707	0	5770	8233	17799	2042	12664	27765	2357	22114	0	36615	10095	21259	27100	2804	3433	7023	5522	9991	12577	38350	13439	538	5272	11928	34805	5169	11514	99499	104444	10479	7928	35647	7552	11789	60756	40820	20908	18372	4539	3759	0	12931	19186	8736	4695	7198	12183	4963	8325	3254	14752	8474	0	13893	8840	Lipid	0.2	1.7	0.0
26	C20 H34 O4	339.253	339.2534	0.002520769	339.253	52989	51879	54221	51767	29878	20316	607112	35344	17332	25081	74473	17639	19628	192816	35493	45031	137764	11778	30020	29169	26178	26837	17026	24677	32169	55046	537578	229345	36496	41699	26374	31041	41629	30573	28697	44451	29604	34507	154393	21374	50021	37064	15110	5328	0	27270	45267	0	33138	33895	54220	51914	29466	12487	23372	25502	31349	49557	40744	51319	61798	31592	66397	18647	139196	57413	92141	160472	28892	26258	36641	20284	27683	45324	48573	32366	0	18760	23413	260607	14411	107337	117873	111709	25733	29325	59361	24519	27373	54524	139798	135912	35015	46606	38003	0	55723	67681	30566	17501	24556	58519	18617	58206	166225	30376	15136	0	41666	23955	Lipid	0.2	1.7	0.0
10	C19 H34 O3 N2	339.26422	339.26428	0.019422932	339.26422	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1661	0	12052	0	13583	5176	5311	8934	0	1271	10240	0	0	0	0	0	0	0	0	0	0	0	32240	0	0	2046	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35372	0	0	0	0	0	0	0	0	0	0	0	9004	0	0	1866	0	0	0	0	0	0	0	0	0	0	0	10804	0	0	0	0	0	0	0	0	Lipid	0.15789473	1.7894737	0.10526316
26	C24 H34 O1	339.26825	339.26843	0.04132497	339.26825	3964	4459	4303	2891	2824	0	7464	0	2485	0	3049	0	0	2408	0	6244	16383	0	6005	0	0	0	0	0	5889	0	9020	3949	0	0	0	7812	3797	0	0	7126	1778	8929	17366	0	0	0	0	0	0	0	0	0	2579	0	3932	5053	4573	0	0	0	6111	4417	0	0	0	0	0	0	2987	2061	5374	19611	0	0	2694	0	0	0	0	4942	0	0	17113	5069	7266	2863	3072	0	9231	7745	51144	0	3790	39299	5052	2582	0	0	0	0	3656	5363	3084	5328	8243	7054	3531	0	0	3144	5169	0	11398	0	Lipid	0.041666668	1.4166666	0.0
28	C24 H34 O1	339.26825	339.26855	0.06890076	339.26828	1537	1805	2090	2083	2179	0	3925	0	2622	0	2688	1141	0	0	2448	2338	3874	0	2257	0	0	0	1918	0	5231	0	5323	2086	3785	3501	1074	4127	1507	3471	0	4240	1225	3070	4412	0	0	0	0	0	0	0	0	0	1297	2917	1235	1530	1151	0	2349	1908	2638	2737	0	0	0	0	1623	0	3612	1234	3451	5670	0	0	0	0	1050	5976	0	2299	0	0	8844	2758	2341	1502	2332	1408	4933	3496	20945	2122	2353	10373	2276	1191	0	1388	0	0	1795	0	2062	5421	6954	4528	1319	0	0	1826	3952	0	4141	0	Lipid	0.041666668	1.4166666	0.0
24	C24 H34 O1	339.26825	339.26862	0.039801795	339.26825	2526	0	1078	2449	0	0	2498	1944	1440	0	1691	0	0	0	0	1400	12439	0	2025	0	0	0	0	0	2745	0	2109	1337	0	2645	1622	3454	0	0	0	2987	0	3127	11678	0	1220	1476	0	0	0	0	1300	0	1091	2090	2035	1506	0	0	0	0	1437	0	0	0	1939	0	0	997	2690	0	2226	13930	0	0	0	0	0	3097	5980	2184	0	0	5217	2037	2387	1906	0	0	1849	3776	16127	0	2003	22662	0	0	0	0	0	0	2075	2558	1576	1628	4857	2041	1535	1437	0	0	2926	0	2834	0	Lipid	0.041666668	1.4166666	0.0
26	C21 H38 O3	339.28937	339.28973	-0.002930559	339.28937	15807	14394	19034	14472	5036	10066	413895	6399	4824	6060	57241	9012	6540	164539	10916	6008	10166	0	5440	7035	0	5329	5649	0	11196	67751	402292	59426	6936	6440	4892	7474	4985	6541	5130	6978	5325	13125	13884	6412	16413	7430	8061	7064	0	9006	12233	6626	5677	10671	19270	14342	5609	12657	6712	17753	24856	3861	10099	23714	23128	11169	24791	6097	224875	7022	22921	8930	45486	11098	12274	3483	5865	8443	6125	10098	0	9556	7224	93593	7193	36752	40496	60052	9527	14007	12202	6384	7816	10385	21539	13842	5266	20464	9492	5539	19749	19204	33020	6228	25181	0	7588	19750	24898	5096	14431	6694	10891	8251	Lipid	0.14285715	1.8095238	0.0
24	C21 H38 O3	339.28937	339.28952	-0.024605617	339.28937	0	3508	2926	1115	0	0	84568	0	0	0	2453	0	0	46731	0	0	0	0	0	0	0	0	0	0	0	10116	84625	10328	0	0	0	0	0	0	0	0	0	788	1300	0	2436	0	0	0	0	0	0	0	0	0	3028	1463	0	0	0	2180	1621	0	0	2895	3538	1359	8814	0	34956	0	1699	0	1837	2392	2479	0	0	0	0	0	0	0	0	16967	0	5004	14833	20431	0	0	1592	0	0	2382	9317	8714	0	0	0	0	3032	3732	3504	0	0	0	0	2332	1553	0	0	0	0	1940	Lipid	0.14285715	1.8095238	0.0
12	C20 H38 O2 N2	339.3006	339.30093	-0.30699086	339.3005	1479	0	1601	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57199	0	54867	5317	66213	0	0	9116	49220	0	0	0	0	0	0	0	0	0	0	0	34713	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	373782	0	0	0	0	0	0	0	0	0	0	0	1547	0	0	0	0	0	0	0	0	0	1440	4629	0	0	0	22355	0	0	0	0	0	0	0	0	Lipid	0.1	1.9	0.1
14	C14 H13 O7 N1 S1	340.04855	340.049	0.16010803	340.0486	2837	4365	2170	5094	6017	1921	2401	2072	5069	9950	7594	0	11187	2199	1430	0	0	5175	5911	0	6887	23423	2384	2557	0	0	1129	0	1336	0	1396	0	1535	0	9879	0	2048	0	2027	11238	18432	2272	0	0	0	2979	4633	0	0	1511	6687	4247	4409	0	4789	3618	1478	2173	0	6117	0	9477	8318	7389	1280	4652	3903	2725	0	4543	7014	0	0	0	0	0	0	1211	2840	0	1408	3017	1586	4149	2416	0	3676	2772	1671	0	8310	12948	5500	21360	20479	0	3998	3722	3186	3229	4096	0	0	3291	0	1868	3367	0	1934	7929	Organosulfur	0.5	0.9285714	0.071428575
16	C14 H13 O7 N1 S1	340.04855	340.04907	0.18633619	340.0486	2351	2748	2598	3124	3975	3607	0	1812	2600	8549	4874	0	7931	1417	1396	1700	0	3681	4767	4543	2175	13552	1694	2136	0	1850	1536	3645	0	0	0	0	0	0	7172	0	2833	0	0	8379	14436	2336	0	0	0	4066	4513	0	0	0	3034	2663	3956	0	2529	4297	1940	3128	2068	2385	0	6224	2485	3111	881	4723	1267	2218	2314	3569	4418	0	1193	1479	0	0	0	0	1711	11260	1314	1516	2199	3449	1760	2644	1806	3221	1982	0	3211	11484	0	20923	24919	0	1603	2000	2032	2904	0	0	0	0	0	0	3807	0	1827	11605	Organosulfur	0.5	0.9285714	0.071428575
14	C14 H13 O9 N1	340.0663	340.06683	0.16910864	340.06638	13831	16030	15221	11289	33689	15869	2368	5590	33440	18789	17451	9624	64795	14693	5606	3917	8515	48272	32314	9310	25405	31262	13713	8534	2219	0	1931	0	2945	1900	3976	0	11691	3899	27841	1865	9157	8595	7194	9721	16864	16220	0	0	0	4614	10191	0	1701	3740	18887	13076	24269	0	38557	24637	14024	4720	5558	0	0	9928	66743	54325	10923	39026	17292	8788	0	0	0	2334	3596	2878	6468	2015	0	5525	8658	15994	6980	1930	1149	0	30415	10881	12071	20868	15348	21229	0	6558	19120	44028	20061	0	10831	15691	17208	31724	30136	9733	8153	0	0	14476	17800	0	2589	86013	Phytochemical	0.64285713	0.9285714	0.071428575
16	C14 H13 O9 N1	340.0663	340.0668	0.13543561	340.06635	4900	10847	7207	6650	17147	14731	2257	2385	19741	5486	5178	4464	44412	8551	4455	4175	4333	29235	28364	0	12727	19423	8716	4082	0	0	1344	0	0	0	3256	0	6482	1734	11627	0	4978	3808	3207	3139	12205	9941	878	0	311	2851	5986	0	2169	3084	8852	7287	12505	0	23853	14457	6584	2672	2294	4635	0	4612	42267	27293	8470	25352	13454	4855	0	0	0	0	3644	0	5961	0	358	4094	8273	11310	5514	1431	1124	0	21578	8329	7100	11967	12303	0	0	3740	0	23467	10807	0	6891	6534	9868	17541	17815	6081	4235	0	0	0	9539	0	2392	61179	Phytochemical	0.64285713	0.9285714	0.071428575
6	C14 H13 O9 N1	340.0663	340.06696	0.24799328	340.0664	1804	1366	1147	1832	6142	1355	0	932	7842	1363	1501	1019	13498	803	0	0	0	7893	7201	0	3315	2573	1801	0	0	0	0	0	0	0	0	0	2184	0	4051	0	1219	733	0	0	3132	3566	0	0	0	0	1930	0	0	791	2896	2468	3448	0	10240	8449	3173	913	1349	1103	0	0	23728	12981	1432	9750	2946	1478	0	0	0	0	0	0	0	586	0	0	1169	0	618	498	0	0	9217	1206	1143	3611	1982	1275	0	1245	2460	5148	1787	0	2506	1878	4732	11313	8440	1299	1422	0	0	1594	3535	0	0	21365	Phytochemical	0.64285713	0.9285714	0.071428575
12	C14 H13 O9 N1	340.0663	340.06683	0.11781439	340.06635	15744	13421	16564	18611	28903	14855	0	3528	39096	15442	23792	7778	52849	8832	4912	5381	7971	38272	41781	8907	26211	46585	10614	4049	2069	841	1917	0	2083	4391	3272	2081	15596	4924	31737	2473	11598	3767	6904	6895	36444	18560	499	0	0	2515	11842	0	2274	4264	18705	14548	23675	0	39688	30605	13736	5260	5699	13646	0	14007	76848	48936	10217	48955	17530	9427	0	0	0	3946	3324	0	5206	3708	0	7798	11977	18792	7297	2651	1313	0	25145	11312	7850	19972	19090	14754	2474	5008	18611	43742	13607	0	14044	13763	22100	29895	32181	12950	8803	3685	0	14929	18809	0	4566	80559	Phytochemical	0.64285713	0.9285714	0.071428575
10	C14 H13 O9 N1	340.0663	340.06686	0.19512779	340.06638	13131	11407	11540	9316	24657	9775	2307	1582	29707	16721	23454	8837	50244	7055	3341	6159	7350	28106	31809	9198	27787	35106	7274	5016	0	0	3475	0	2630	1417	3069	3720	9630	2112	21712	2486	9651	4733	8576	8867	30106	14862	0	0	0	2070	9950	0	1961	2461	11240	14626	17811	0	37767	25126	9089	4841	3903	9577	0	12672	60536	42230	9423	36655	14467	8690	0	0	0	2315	3643	0	5527	2622	0	4282	6393	15101	5320	3476	0	1790	26690	8508	5917	17689	12440	10917	0	5539	11811	47836	19870	0	14529	10590	16976	33502	20337	8939	6036	4109	0	7219	19733	0	1994	65663	Phytochemical	0.64285713	0.9285714	0.071428575
8	C14 H13 O9 N1	340.0663	340.0669	0.18525763	340.06638	8835	7902	4811	6406	17331	5696	813	0	20949	7127	8095	2952	33370	3569	3511	2244	3709	16075	17400	3879	10205	20057	4011	2720	0	0	1286	1851	1027	1081	1297	1219	4748	2158	10889	900	4050	1837	3844	6818	14039	8110	0	0	0	2282	8853	0	2296	1332	7018	7817	11062	0	24159	19416	6084	2524	0	2862	0	4486	46908	33883	7372	23001	7327	5770	0	0	2192	1147	1519	1222	2209	1795	0	1976	2841	4875	2435	2410	1147	0	15393	4650	3283	10825	10341	9081	0	0	9008	16578	12391	0	7155	7744	15381	24950	19019	3953	2654	1699	0	6905	12699	0	1307	42759	Phytochemical	0.64285713	0.9285714	0.071428575
18	C14 H13 O9 N1	340.0663	340.0668	0.15924081	340.06638	0	2778	4903	2026	10411	5374	1225	2016	7308	3128	0	2815	18022	6273	1991	1681	1936	14272	8775	0	0	7090	3920	1470	0	0	1484	0	0	0	1341	0	2385	0	2772	0	0	2538	2462	0	3956	4262	550	0	443	0	2580	431	0	1304	4285	4263	4345	224	14332	6406	3466	2160	1659	2890	4088	2728	22346	17419	5146	12298	6204	0	0	0	0	0	1230	1418	0	0	0	2150	4863	5040	2659	0	0	0	9075	3112	3191	5213	6950	4006	0	0	6960	10117	1949	0	0	5152	3950	6291	10344	3074	3337	0	1902	4323	5228	0	0	26018	Phytochemical	0.64285713	0.9285714	0.071428575
20	C18 H13 O6 N1	340.08157	340.08197	0.057804264	340.08157	8736	8483	9242	7505	9272	5947	4065	4679	8464	14164	19057	1467	7491	6901	1592	7429	6512	9725	5106	10435	14257	23122	4667	4130	2050	18553	3250	12724	0	0	2538	0	0	2371	13193	0	3147	2787	4626	14056	34037	4904	652	0	311	9389	18308	850	2868	1281	8016	4702	4091	489	5191	3689	4234	5250	3634	7597	6253	13189	7569	5481	2832	6471	6869	4070	25204	14611	39485	0	1701	0	4393	2389	523	1585	10304	31423	7687	8831	3671	11645	7589	3816	9246	8291	4878	19066	7818	5883	4399	38528	25217	669	7231	9997	6171	8299	7159	3123	0	3926	8883	7259	5688	0	5418	7799	Phytochemical	0.33333334	0.7222222	0.055555556
18	C18 H13 O6 N1	340.08157	340.082	0.12518421	340.0816	7961	12851	8358	6994	12388	4248	2449	3588	7849	25086	24563	2698	13072	8105	0	7940	5641	7603	10828	15498	25150	29058	3281	7230	3035	35932	5902	12981	0	3039	3875	4677	6601	0	20055	0	5549	2444	7305	19429	38037	5687	801	0	0	10600	27082	504	3112	2597	8151	10437	6532	258	5443	6522	5891	6237	2018	5742	3411	13739	10933	7499	5206	12287	6928	8545	28531	28718	64091	2899	0	0	1813	0	283	2351	11102	40755	4513	10885	4805	14028	9123	5266	12581	9271	6384	11392	6823	9060	11049	38236	41549	0	11768	7238	6643	8772	7678	4083	2511	4035	5883	5644	5724	0	5621	5821	Phytochemical	0.33333334	0.7222222	0.055555556
14	C18 H13 O6 N1	340.08157	340.08206	0.14817674	340.0816	4532	3167	5393	3548	5659	3223	0	0	8060	17585	12239	1710	6337	2485	1521	0	0	6148	7193	9426	19066	16070	2274	3737	2218	26867	2570	0	0	0	1893	0	1643	0	25962	0	2288	2341	2484	8350	25840	2767	0	0	0	5151	13663	0	0	0	4557	3060	3126	0	10376	8117	3963	3125	0	0	0	8000	8201	4277	2825	8225	2776	2987	23610	39403	48175	1262	1004	0	2182	0	0	1124	3238	0	5530	8849	1904	7806	9378	3439	4655	3218	2845	7801	2769	3617	5765	17355	19686	0	7646	5338	5743	7735	5676	0	0	1875	0	2524	2969	0	1542	5313	Phytochemical	0.33333334	0.7222222	0.055555556
12	C18 H13 O6 N1	340.08157	340.08206	0.13784648	340.0816	4016	2077	3218	2882	13470	2852	0	1795	6539	7806	7520	1988	6783	2871	1329	0	0	3952	7196	6637	13356	7563	1880	0	0	21464	0	0	0	0	1536	0	1853	0	15488	0	0	1675	0	6604	18901	1036	0	0	0	4662	6899	0	2159	0	2103	2447	6016	0	8268	8581	3863	1416	0	0	0	5611	7606	4835	2817	9700	3169	0	25828	27218	54901	0	0	0	0	0	0	1808	4360	0	2852	3209	0	3379	25694	5789	6029	1446	1160	6152	0	2583	2640	12062	9970	0	2047	3756	19398	16592	12848	0	0	0	0	0	12277	0	2114	6498	Phytochemical	0.33333334	0.7222222	0.055555556
10	C18 H13 O6 N1	340.08157	340.08212	0.17202468	340.08163	2882	2171	3689	1626	3907	1091	971	0	3474	8626	4953	0	6035	1448	0	0	0	2476	3292	5404	9740	6799	1411	0	0	8494	1298	0	0	0	0	1349	0	0	10174	0	1364	935	1554	3394	9262	1218	0	0	0	3913	6819	0	1320	0	2936	1444	2396	0	2411	2025	1935	1241	0	0	0	3081	3950	3448	895	3446	1956	1625	14515	13367	29912	0	0	0	0	0	0	0	1407	0	1846	2382	0	2913	2852	1288	2337	2056	874	2358	0	1926	0	8564	6274	0	2264	2137	3484	3754	5160	2064	0	0	0	1328	2050	0	0	4248	Phytochemical	0.33333334	0.7222222	0.055555556
16	C18 H13 O6 N1	340.08157	340.08203	0.085314006	340.0816	4271	4974	8062	5330	7540	5171	3187	4137	6414	34766	18627	1900	4276	6739	1354	5349	4334	6084	9214	13264	25842	21937	1332	5785	2496	35177	3139	8280	0	1843	2325	0	3999	2363	26896	1638	2063	1786	6218	12842	29162	3115	326	0	0	7688	21890	521	2415	1482	4899	8524	5403	0	6019	5037	3094	3611	1494	6421	0	11388	9515	6741	2556	8511	5206	4407	36481	40166	62487	2165	1833	0	2415	0	0	2885	8329	25115	5061	9017	3709	10162	10214	4546	8491	4893	3964	0	10831	9051	0	34028	37421	0	6523	8408	7053	7997	10289	6935	0	2915	5766	0	5440	0	2173	13269	Phytochemical	0.33333334	0.7222222	0.055555556
22	C18 H13 O6 N1	340.08157	340.082	0.10534781	340.0816	4973	2398	4493	3693	4721	3493	2740	1486	1432	9816	5798	2013	1765	0	2474	3500	3756	3346	3875	2703	5810	14081	4734	2678	0	4537	2470	7044	1712	1465	2229	0	2476	1635	7353	0	2409	2873	5443	5704	21818	3485	0	0	290	7244	13690	0	0	0	2467	3914	4098	417	1708	1700	1693	2851	2989	5009	3294	4270	2749	2712	1817	4384	3009	3975	9034	5879	16446	0	0	0	3133	0	311	1673	9043	15042	4600	8042	3859	5585	3666	2785	7156	5363	3030	12427	2200	3702	2295	19777	15059	0	2033	2334	2106	3744	3939	2848	2396	3608	4653	2299	3685	0	3495	6905	Phytochemical	0.33333334	0.7222222	0.055555556
18	C15 H17 O6 N1 S1	340.08493	340.0854	0.1287163	340.085	8925	6193	5891	4879	9494	6532	3522	2190	3558	14820	6704	2118	3173	1855	2877	4371	3116	9769	9978	6309	11102	21491	3752	4157	4817	8371	2622	5432	0	0	2835	4459	4580	0	16714	0	4985	2062	5260	18693	24063	3129	0	0	0	7305	9643	0	1628	0	7089	7338	6375	0	7323	4465	3128	8675	4835	7234	5902	14115	4851	5075	2160	8385	6530	3358	8080	10574	9971	4092	0	0	1922	0	0	1741	5751	17380	3507	6146	5729	11251	0	1803	5870	5181	4049	8680	22223	25151	8289	18446	33531	0	4179	5152	6213	5120	7400	3359	0	8013	3966	8452	3558	0	5250	10517	Organosulfur	0.4	1.1333333	0.06666667
14	C15 H17 O8 N1	340.1027	340.10318	0.11178362	340.10272	191136	177139	179116	187680	188821	169207	96243	149914	478920	239044	172405	117521	333703	95521	128718	152498	157347	352273	304828	188835	251118	337492	148925	156443	85097	48673	87991	100299	138141	125715	116299	136237	221950	131689	345636	127007	210519	111702	154335	232079	263532	167394	6104	1305	968	145350	186924	1343	132140	123268	180074	173974	197228	1014	321279	163858	117676	182728	176622	135543	145022	193699	335352	306885	98567	280336	153126	155043	119982	99418	138720	128426	115811	102763	130443	119335	1089	117747	137480	183286	120018	95318	89721	73490	182761	109057	153218	166683	189804	208381	126772	202363	258534	222487	248567	2065	182638	191293	129016	159919	170450	189810	110882	152714	104697	188384	139477	1356	86060	408588	Phytochemical	0.53333336	1.1333333	0.06666667
4	C15 H17 O8 N1	340.1027	340.10333	0.09846935	340.10272	15684	19281	20303	15901	18613	10516	6127	13548	23670	20286	23776	10249	39449	9877	9423	16948	17392	28466	29503	18534	28790	28367	14162	16695	3335	6256	6795	5335	9492	10596	12264	12897	19333	10404	28742	14225	15579	10626	24394	20972	32321	17920	0	349	481	12390	25164	331	11890	11531	19340	17073	15477	651	33856	30686	10666	14650	12087	16965	16726	12110	49989	33154	15651	25430	13460	21017	12903	10464	17424	11069	9631	10177	4451	10669	404	8532	10194	5599	12139	8127	6311	6433	31405	12716	10876	19245	17813	21103	6668	8988	22791	15721	17868	929	16363	21909	20313	33205	30215	16969	8925	17888	11258	15868	21917	383	5269	53579	Phytochemical	0.53333336	1.1333333	0.06666667
8	C15 H17 O8 N1	340.1027	340.10327	0.13646877	340.10275	210281	222082	165859	222393	161828	112093	85859	142744	239791	379476	293918	141276	333713	59948	106438	169826	199548	264547	314176	313017	433419	365015	150410	159854	50122	67116	85234	135672	126746	121831	128077	154058	190273	134787	509461	124410	190547	102870	223511	365385	579684	157902	3357	282	689	184882	318020	401	157107	139039	211498	222273	158641	776	714722	199090	118947	143409	159235	224755	190985	294553	375213	353190	105038	241077	145534	217994	212153	154111	306364	133461	147226	110345	137921	133148	316	107718	137256	160283	105169	125452	90114	128781	196790	98434	118588	179813	173824	228667	93193	172406	227433	296410	301855	1406	215625	208349	169726	206467	179387	209792	113599	215116	155297	167764	172932	438	75142	416191	Phytochemical	0.53333336	1.1333333	0.06666667
10	C15 H17 O8 N1	340.1027	340.1032	0.11099996	340.10272	312318	286068	279023	269085	252571	176052	121378	211256	346526	557985	346171	183981	450712	104400	155221	232627	229714	432595	407764	434639	593987	556524	210969	226116	79638	102094	142799	182560	193254	177421	180855	210408	308422	189892	1372696	189307	286964	148211	279846	525259	692544	199365	7830	867	1205	256560	351940	963	212540	172430	294841	305478	240536	1782	502445	520574	136141	242254	236129	272763	270749	392570	463791	419740	129236	339189	204601	268549	301350	209465	355189	194959	183161	164198	191304	176519	660	153910	181096	235951	150665	181490	132145	151981	253951	147851	165454	225047	230003	267984	160334	257366	332614	410365	480970	1700	286750	288582	199322	222711	222948	281354	165622	264996	229217	240581	217477	1208	112745	598954	Phytochemical	0.53333336	1.1333333	0.06666667
18	C15 H17 O8 N1	340.1027	340.10312	0.09445586	340.10272	47148	46870	38914	39293	47535	52205	24384	40854	54333	49045	24062	28473	112708	27181	34985	44599	25790	85436	73256	30531	42448	70196	48467	53721	28096	7988	19920	17138	40055	27151	28694	34398	52843	33152	42616	32788	55924	26581	31540	40734	39542	42074	3510	1188	1908	31620	28996	1891	38806	34956	38534	52226	54580	1673	96823	48278	34314	41305	24226	27179	38071	33976	81210	65102	29036	80050	55519	30257	21471	15242	23108	31026	25394	25249	25936	26845	1219	32322	42110	38016	30467	25143	15871	18209	49596	44256	36681	40736	50015	35590	32830	46629	76920	45975	52578	1525	43617	42520	35702	48632	41977	52004	23852	33439	15800	55245	44613	1455	25772	104423	Phytochemical	0.53333336	1.1333333	0.06666667
16	C15 H17 O8 N1	340.1027	340.10315	0.11030093	340.10272	101761	97344	96242	107564	121213	103409	58757	80730	124797	128648	73863	72318	202784	62993	90900	96665	86329	227776	195570	68010	107073	153074	106787	94419	55230	27903	56003	38399	77954	59996	75033	84503	118181	80391	147801	74027	137277	66571	86256	94420	108955	96812	4181	1967	2107	68348	86634	2231	88535	70252	105719	87625	118658	1836	171189	105819	70270	98441	71230	56543	103016	80723	179399	138064	56589	157690	103720	80268	55913	41569	58745	72659	66762	60602	70908	64049	1304	59856	89492	102672	67714	53857	39748	41128	114550	76699	86628	101645	108380	110213	61209	109690	183875	112982	120443	2579	93587	95848	80664	92153	101720	116097	60974	67965	55379	116998	108152	1782	58723	243916	Phytochemical	0.53333336	1.1333333	0.06666667
6	C15 H17 O8 N1	340.1027	340.1033	0.13807009	340.10275	90053	99942	78101	89661	77655	45812	33578	68727	114699	148064	128261	57700	152827	27300	46468	86021	80610	131385	134711	113240	196173	144136	66611	86411	19923	25144	35682	50592	55222	58238	63509	67198	100764	60863	177955	57839	86896	52643	97058	105400	225391	69175	1447	416	409	73854	138885	359	77755	66559	97023	94520	75640	767	154219	94801	53945	80620	60053	100502	83669	96593	197515	134709	49497	107862	80743	113076	72003	53994	114729	59851	60541	55735	45455	56811	485	42339	49239	44019	42920	45512	35723	36659	96285	54189	51913	89908	81344	109629	31982	63975	105402	114586	114782	520	86424	87311	65947	91477	95086	96005	52256	88328	71118	82122	78589	325	30193	213842	Phytochemical	0.53333336	1.1333333	0.06666667
4	C14 H17 O7 N3	340.11392	340.11456	0.07463745	340.11395	13493	14639	11415	12329	9720	5919	5490	12027	13167	7371	6896	11091	17712	3265	8780	13040	19807	15400	17498	8126	11706	19403	12896	13992	4077	475	4610	3193	7084	6890	8897	7641	10370	7075	12131	7550	10886	10199	26514	9435	17124	11009	0	0	0	8846	17104	0	9445	9628	11619	12901	10134	0	19399	12772	8886	13623	9996	15141	14090	7981	24045	17274	12300	15334	9431	22245	2418	1818	3687	8867	7780	6123	4578	8284	0	6370	10419	5421	9100	5662	5840	2433	17703	8531	9200	15946	11931	22650	5712	9379	26881	7632	6794	0	10624	12957	12216	14376	12597	14527	8940	12599	10202	14755	10995	0	6462	27620	Peptide	0.5	1.2142857	0.21428572
6	C14 H17 O7 N3	340.11392	340.1145	0.0642205	340.11395	32809	29114	25257	27686	18593	17082	13567	32372	27353	21155	20430	26928	35993	6381	23433	29961	35087	38886	41290	20693	31349	44101	29253	29192	10920	1022	13919	6244	21459	23150	23667	25927	34800	23555	28845	23740	32482	24496	42310	20102	34600	24943	0	0	0	17091	36161	0	26714	25784	29357	27689	21263	0	38776	19667	18676	31667	24934	32541	27864	20623	44554	31389	19800	29122	22643	48965	5895	6149	9216	22588	22965	18071	19672	20084	0	16890	20871	7474	17665	11956	11771	6073	24135	17248	21177	34865	29316	59312	8318	25071	64252	19575	15198	0	27213	26348	12482	18539	18777	31353	22981	28181	19091	40558	16756	0	16549	53164	Peptide	0.5	1.2142857	0.21428572
14	C14 H17 O7 N3	340.11392	340.11432	-0.08564186	340.1139	14160	6000	7767	7884	10140	5829	0	8151	7287	5733	0	13236	11784	0	10983	13578	10557	8238	13860	7134	0	18402	16224	21879	7752	0	6408	0	17262	5025	10512	0	18078	11838	11511	8997	16539	15885	13158	6621	0	9330	0	0	0	5697	0	0	6741	14274	0	6333	10734	0	5214	3543	6981	10830	0	0	0	0	13476	8967	10026	13470	0	9339	0	0	4752	7464	7335	6090	8907	8910	0	10140	5091	0	8988	0	5799	0	8397	0	11802	14265	12360	23229	0	11793	30102	0	7584	0	15801	8208	6879	0	4770	16686	10353	13893	0	15363	7782	0	5559	8100	Peptide	0.5	1.2142857	0.21428572
2	C14 H17 O7 N3	340.11392	340.1146	0.082165	340.11395	11486	8886	7975	10418	13454	0	5958	7913	17113	5608	8296	11047	24247	4624	5858	1394	10506	19498	17478	5647	13869	15056	9840	7757	2067	454	0	3148	7344	4062	8768	6095	15624	6126	9364	6516	9690	6371	10212	7734	15270	10537	0	0	0	5262	8436	0	8577	5808	11769	9455	12996	0	20512	10896	7182	10772	5840	7928	2258	4922	35494	22969	10585	23394	12094	14728	1691	2412	4582	6917	7049	4621	385	5363	0	6065	8124	1892	7655	4921	3371	1879	13416	7160	9269	19256	12899	22181	4303	7489	26000	7776	823	0	11542	10173	8625	16192	13544	8441	7518	4840	5720	14723	8021	0	5127	37428	Peptide	0.5	1.2142857	0.21428572
8	C14 H17 O7 N3	340.11392	340.11447	0.025819505	340.11392	44600	42644	37515	42984	27470	21552	17841	32692	39167	63771	50636	30259	38777	10674	25825	39737	39902	40429	48442	61329	73372	60933	36127	41046	14319	82702	18772	40041	28551	21158	28560	29789	36916	29768	74596	20230	34185	27304	39081	46008	66364	28399	0	0	0	41593	62553	0	35428	29124	39702	39245	25244	0	46411	22981	22781	27832	27662	30554	40803	43827	47054	35076	22313	37491	29862	45072	78987	101412	138704	27899	23767	19556	22876	31171	0	22706	35996	33610	25191	21517	15419	27051	26876	17273	38238	36445	32133	82145	0	33056	74264	48409	58247	0	42681	41012	24108	25900	21483	38057	24922	37819	11446	44539	22889	0	22533	50791	Peptide	0.5	1.2142857	0.21428572
10	C14 H17 O7 N3	340.11392	340.11438	-0.050854187	340.11392	26827	22209	25743	25092	19369	14609	10104	18691	23235	47558	29885	18907	20528	8854	17886	25879	25424	27352	32766	39650	45262	47359	23882	31888	13196	67805	13278	28429	20410	14776	17191	17514	29759	16489	41360	19161	26102	17554	28766	32586	43271	20264	0	0	0	26013	28861	0	17022	14986	28242	21538	21270	0	30613	14048	12285	29122	16321	19330	19617	15189	27236	23709	13266	21646	13314	34211	60199	68077	90017	20874	18291	12241	19000	15632	0	14989	27242	16878	20097	13087	9668	15986	18634	12768	22450	22073	20195	45559	11796	23427	62682	27748	31768	0	27822	23359	15239	10640	13258	22993	19156	16615	0	31586	12504	0	20691	32729	Peptide	0.5	1.2142857	0.21428572
18	C19 H17 O5 N1	340.11795	340.11838	0.09923003	340.11798	26330	23082	23325	20926	10191	9726	5318	6966	11244	75542	64757	3950	6924	11952	3638	8553	15099	13424	11319	42559	55979	29515	7553	12870	8167	133424	6390	54575	6631	6070	4066	5446	11655	5435	57108	4537	12216	6377	10264	46950	82927	10919	823	0	0	22825	41568	381	7313	8025	25760	24669	11737	0	8842	7034	8227	13421	3740	13984	9699	31608	13990	7308	4325	12123	15070	10383	115349	129442	191948	5974	3299	0	4735	5833	0	4902	10664	49657	11381	18266	9575	36460	11850	6379	17578	10173	11908	20818	25061	24388	16017	43841	48280	0	22272	21997	13020	8887	7518	14674	4559	12840	15424	12620	7575	0	11404	13481	Phytochemical	0.2631579	0.8947368	0.05263158
16	C19 H17 O5 N1	340.11795	340.1184	0.082681015	340.11798	15291	15183	18422	18852	13051	6559	5855	3225	11578	53224	52018	4899	7514	8728	4063	10526	8680	10637	16286	48043	52632	30501	4917	7190	6198	98859	6378	40998	5837	6818	6387	0	9960	3745	61100	5144	10759	4147	10525	49263	61062	8143	0	0	0	15360	33744	0	9889	5002	16094	18591	8801	0	8170	6150	6298	8580	2828	11822	6941	25076	11183	10081	3024	9192	13292	9856	113816	134921	173691	3774	4636	1491	5097	6576	355	3412	11583	41814	7416	19123	4141	32939	9570	4972	17904	11197	5877	27856	20046	19407	0	35553	43904	0	17890	13807	11050	6785	11053	6890	3679	7949	8865	0	7331	0	5987	13389	Phytochemical	0.2631579	0.8947368	0.05263158
12	C19 H17 O5 N1	340.11795	340.11844	0.037662063	340.11795	8665	7280	9033	10630	8221	6602	2563	3166	8969	28588	25311	2420	6498	4923	3365	6688	4511	7598	8453	31847	37966	11115	4737	5873	4064	84963	0	24921	4761	2336	2704	2395	3890	3670	40451	2844	6244	2596	7164	23407	42496	5113	295	0	0	12289	17751	0	3121	3271	15655	9922	3787	0	5516	3472	3168	0	0	0	0	17926	9088	4433	3590	5722	3594	7061	67923	91259	122304	3949	2340	1214	2173	1688	0	2310	6027	23167	6624	9897	2593	17447	7169	3620	6374	3817	5595	17330	9194	9613	9946	17526	20858	0	9877	10517	3719	5678	2577	2958	3380	3114	0	7074	5009	0	5304	6252	Phytochemical	0.2631579	0.8947368	0.05263158
22	C19 H17 O5 N1	340.11795	340.11838	0.10526921	340.11798	7663	8489	5244	6767	6559	3669	2026	1305	3605	21147	32441	2450	0	0	2365	5175	3190	3422	3305	14480	19102	13720	3989	5341	3204	40230	3630	26507	2062	1807	3005	0	3174	2744	16069	2397	4372	1415	3771	26976	43420	2781	0	0	0	13519	26743	0	0	1872	5641	5558	2786	0	3442	3189	2281	3684	1614	5297	3385	13840	6385	4133	1988	4440	5247	5524	48329	33267	62220	2761	2233	0	1742	2747	376	1725	4146	23698	3502	10376	2376	13751	4080	4131	3731	5193	3556	8123	7063	7477	5375	19860	18373	0	3776	6014	2489	3526	3098	4261	2869	7052	10121	4967	2681	0	5500	4457	Phytochemical	0.2631579	0.8947368	0.05263158
20	C19 H17 O5 N1	340.11795	340.11835	0.0773245	340.11798	16411	18395	17566	12956	12814	7837	5900	6277	8569	48483	67190	3760	7442	6718	3769	8135	7946	11263	15765	32155	36186	32469	6596	10774	4698	92148	4959	49098	3419	4379	3332	6481	12042	4860	45422	5262	8323	4536	10561	41901	68260	9992	1711	0	0	23665	40405	582	5102	3631	22927	11948	7599	320	6564	3025	5719	10704	4507	14627	10732	28861	9339	10506	4112	10876	11813	8099	95215	77002	143876	5014	2905	1983	7079	6579	0	4405	7761	49279	7404	19568	7158	38515	10963	6112	8904	9201	8993	17008	14318	13895	11848	38393	34871	532	18198	10368	9332	7949	9001	7818	4970	10141	17860	9918	6530	0	5818	12803	Phytochemical	0.2631579	0.8947368	0.05263158
14	C19 H17 O5 N1	340.11795	340.11844	0.073968254	340.11798	8402	12076	13498	11386	5042	5069	3880	5024	10703	43212	38170	4116	5952	6685	5400	7608	7457	7489	8498	34442	49874	21177	5022	9166	4826	98214	4452	36560	5924	2064	4526	0	7656	3433	47820	3435	5832	3410	7213	35956	46215	5177	0	0	0	18662	24932	0	4222	2954	13997	13258	7270	0	3079	5785	4529	4534	0	8689	0	20730	9384	4470	2804	7126	6710	8279	86241	104245	125430	3059	2438	3701	5344	3775	0	4086	9449	17895	6270	11988	5596	23279	6753	4839	11924	6707	5686	17453	15994	7766	15076	24350	38308	0	9034	13232	6943	6436	7327	4050	3785	4430	0	4890	3811	0	6676	9751	Phytochemical	0.2631579	0.8947368	0.05263158
6	C19 H17 O5 N1	340.11795	340.11853	0.08152647	340.11798	3553	4638	2839	4920	5572	2397	2629	2209	4752	9844	7002	1728	6778	2783	5986	3758	2214	2452	4270	8504	14490	3807	5183	2590	2214	21311	1014	8959	1775	869	1549	1270	2064	1498	10179	647	2679	4885	2226	4866	7157	2751	0	0	0	4686	6706	0	0	3006	3684	4554	3918	0	2399	8568	3578	3422	0	979	3862	2197	2285	2389	931	4255	3245	1451	19212	23601	33506	1730	910	1304	0	1106	0	1742	8521	2809	7915	2614	1439	4539	2378	1898	8579	2064	2414	4290	0	0	2461	6863	7368	0	4295	3318	6270	9100	13269	2961	1344	0	0	1826	6806	0	2438	2983	Phytochemical	0.2631579	0.8947368	0.05263158
2	C16 H21 O7 N1	340.13907	340.1397	0.07928243	340.1391	33545	30977	25927	27591	70116	31478	15187	33213	73232	36319	33406	51138	147572	15987	34364	10287	54270	90162	88752	33014	147972	100956	52558	24461	9106	8714	5253	20581	37458	18871	64738	28827	156132	28586	120184	26179	37230	34400	65576	76158	48315	26922	739	639	1221	21073	53454	967	29554	20296	27525	31486	61392	978	42040	32194	16418	32447	34886	26632	13824	35808	131930	88572	13869	100858	68060	76080	18208	24484	30495	30131	30158	24228	5489	27134	1121	19637	40536	29170	33992	15162	12207	10393	90162	16391	34038	68680	65270	73482	49418	68350	85754	57280	13753	1571	34967	33449	21698	67664	63134	28086	40690	51188	33696	37402	42784	532	13565	138970	Phytochemical	0.4375	1.3125	0.0625
4	C16 H21 O7 N1	340.13907	340.1397	0.064062506	340.1391	109238	108608	110708	105616	78212	30271	44836	110464	51803	69034	51539	36059	104933	25994	34544	100580	56766	122294	129350	71768	182580	83672	121203	99554	42006	27045	26314	25082	43744	111384	122334	41781	164784	35659	103299	92972	106820	65518	140822	73892	87810	72984	1205	1084	1445	56746	154328	1381	51020	89316	96816	87858	78556	1533	192288	108978	47628	94014	92884	65206	101660	47568	78934	167769	23032	116850	72880	59401	51033	40513	48521	130626	111231	142053	20967	109122	924	31152	69114	35008	57634	100716	67060	23966	111408	62514	61416	72898	80390	97784	34877	148488	128744	95520	59514	2631	91572	110868	36026	114902	59735	166455	64604	75616	40657	82958	106467	1099	45304	91565	Phytochemical	0.4375	1.3125	0.0625
6	C16 H21 O7 N1	340.13907	340.1397	0.039355744	340.1391	344166	191307	158173	320908	199040	176838	183862	372036	279586	519462	153697	230010	593439	106698	249442	191507	339780	362486	202461	259231	318641	489636	254486	393998	75053	86803	179034	91437	337838	320880	169523	403450	427056	331734	321797	347424	435864	224414	421660	179016	259402	227636	2286	943	1504	195987	229494	1025	422138	165613	190047	177364	223024	1720	361102	111683	69189	190301	319714	186989	179182	139017	373036	134345	181905	319468	229222	219296	133064	148715	184621	315510	321360	332982	87292	304268	943	209422	210698	92735	97295	112586	117487	87145	226694	90813	104924	240850	248488	368950	118570	347310	448278	287222	407326	1654	171614	362620	140790	116617	137803	450142	226076	464600	133825	168353	195010	1102	168406	232166	Phytochemical	0.4375	1.3125	0.0625
0	C16 H21 O7 N1	340.13907	340.13977	-0.052785236	340.13907	6550	7423	5108	7580	5536	26397	2687	9874	6383	5607	3150	7185	8661	0	3854	1996	7431	8425	6961	5239	12509	7901	5817	6170	1682	2700	0	1873	12970	6392	9155	9386	14378	11005	11453	12490	11474	3459	9192	5671	4211	15716	0	519	1358	4801	2727	607	13956	6899	4911	6384	5053	823	5901	5440	3757	8434	3414	5147	4085	2346	6350	7634	4892	8770	7632	7687	3180	3394	2958	6174	13296	9014	2650	11897	1002	4843	3071	1383	2527	2350	2566	1378	3872	3621	2612	4079	8481	2999	2279	3832	7249	3161	2014	978	5547	7974	2867	4702	5298	10752	4633	7369	2250	8033	4103	769	1834	11227	Phytochemical	0.4375	1.3125	0.0625
0	C15 H21 O6 N3	340.1503	340.15097	-0.08642902	340.15027	12705	12437	12267	12333	10577	11646	4486	16689	12205	6573	3259	9138	11242	4540	8334	0	10117	18202	15110	7095	14247	15717	10026	13905	4877	1188	0	5824	16490	6985	12566	15448	19426	15942	11937	19074	20351	7014	14061	7567	6796	19206	0	0	0	7340	4793	0	13828	8943	10241	11195	12732	0	13198	5092	4680	16194	6601	6204	5901	3348	15390	11432	11388	18296	19453	14170	1601	3427	2435	14998	21994	12012	0	15727	0	8841	7373	8290	5994	2916	3492	0	6936	5099	7976	11484	20059	12710	14116	11282	26619	6225	0	0	12501	13237	5046	5048	6434	12152	5277	9198	3252	20007	6541	0	5781	22599	Peptide	0.4	1.4	0.2
2	C15 H21 O6 N3	340.1503	340.15097	0.05177793	340.15033	51069	48926	40820	44452	33778	46842	28710	53135	59561	24243	28768	38793	62693	17724	40317	13881	58610	56761	61394	28035	53688	63883	46855	46543	18111	5589	6893	40363	57420	29145	53634	43837	83032	44024	44327	37851	59830	34824	66378	36774	49287	36743	240	0	0	25946	33019	0	46926	32760	46807	47635	40064	0	53693	24850	24290	57350	28477	36461	19994	22599	59778	50121	29035	59948	47203	80651	12750	17148	21186	48580	46981	31411	7482	38620	0	34278	40171	83872	33635	19523	23010	13303	37331	27582	40903	49989	46229	111489	73769	74576	103218	39666	10638	0	45254	49682	26838	33224	32083	41835	37728	40221	23395	66146	25402	0	33649	82113	Peptide	0.4	1.4	0.2
12	C20 H21 O4 N1	340.15433	340.15482	0.006571624	340.15433	5671	7430	6911	10072	4470	3695	0	4298	2216	38382	37650	3111	1280	6514	4372	7724	6282	3640	7079	43336	57455	8174	3176	5425	3324	86181	0	31668	4221	1897	5350	5016	5810	4680	32351	3540	5969	2337	6391	21538	24272	3847	0	0	0	10009	19462	0	7196	2799	7889	11165	4654	0	1686	1546	2581	2870	0	0	0	9578	2430	1723	2741	3004	4729	4446	54050	91508	101189	3686	3140	2701	3700	3784	0	2225	2440	0	1968	3569	2930	20847	1350	1820	5623	4063	2804	13465	8732	2141	13924	15010	21923	0	7484	9416	3258	1413	1695	4420	2394	4910	0	6594	990	0	4376	3747	Phytochemical	0.2	1.05	0.05
18	C20 H21 O4 N1	340.15433	340.15475	0.052462053	340.15436	17655	16734	15593	18576	8138	6136	7526	7969	3602	31850	49271	4363	2043	8325	4916	8360	11435	6763	7546	48855	48971	22243	9087	12611	6597	103843	6062	49050	6448	4409	6518	9666	10457	6851	33527	4655	7659	5849	8482	42746	69906	7250	482	0	0	17277	27392	0	9482	9576	12851	16200	7513	0	4293	5145	4759	11211	4993	14766	7978	24051	4248	5124	6000	4549	6414	17430	94337	88010	160948	5207	6252	2313	5795	0	0	3435	10254	23764	8696	13886	7578	31901	8540	5090	17113	6081	4729	39036	18239	15633	18115	20755	25802	0	14588	17000	6597	6150	3703	6619	4355	18836	9265	9768	3803	0	10523	7603	Phytochemical	0.2	1.05	0.05
16	C20 H21 O4 N1	340.15433	340.15475	0.012915049	340.15433	11580	8677	8148	11021	0	2330	2887	7352	5350	24621	38287	3571	0	4917	2660	7456	13209	6205	6933	37667	40819	13830	2729	5458	5883	86433	4527	28259	3618	5055	3620	4863	4512	3944	21274	3304	7501	3079	10027	25452	43301	3147	311	0	0	9267	18465	0	8362	4861	11780	11555	3392	0	2730	2821	4685	6269	3023	7895	6933	9946	6756	2676	2441	2204	6686	9757	68969	84123	118059	6842	4999	3906	5299	6886	0	1600	9641	15440	5049	9095	6119	22328	2864	3567	4895	6223	5372	31804	11103	5370	0	17644	22224	0	10839	11013	3767	1624	2008	7285	2412	6677	9529	0	1987	0	6105	2860	Phytochemical	0.2	1.05	0.05
6	C20 H21 O4 N1	340.15433	340.15485	-0.09714842	340.1543	3137	2705	2239	3026	907	0	1502	2538	692	13001	5558	1780	1127	1295	2379	4061	0	3025	683	8798	9988	1978	1791	4964	1812	21474	1303	7224	2354	1776	2169	2628	3280	2426	9255	1916	2810	1209	1514	3835	4608	2014	0	0	0	3116	5071	0	3614	2969	2525	2705	1199	0	865	1034	1265	2338	0	0	4651	1833	1301	0	888	965	2519	2356	15103	20021	27687	1689	2755	1681	1257	1555	0	1093	1340	0	1572	546	589	4516	0	0	2882	1488	1832	4503	0	0	3042	2584	7468	0	3182	2559	1289	843	1264	3230	791	0	0	2850	870	0	1479	0	Phytochemical	0.2	1.05	0.05
20	C20 H21 O4 N1	340.15433	340.15475	0.053797085	340.15436	17774	19411	15010	18434	6575	6367	6127	7592	3863	32139	57699	5415	2961	9091	3355	14270	10718	3446	8715	47274	54654	21693	4451	15666	6778	118289	6412	55832	7304	9187	6686	7499	12765	6841	30112	8044	5850	4699	15099	47573	80110	6927	701	0	0	26037	29458	0	8462	6663	15724	13209	7479	0	3897	3734	5563	12013	5968	18591	12689	29385	3800	4401	6125	5616	12995	11594	97689	90996	140055	6016	6631	4743	5896	8387	0	6081	8821	34558	6803	13161	9836	32036	5662	5572	13035	14739	5944	22857	17399	17506	16719	33331	26141	0	17799	15812	7191	7462	4039	16145	6160	17368	13927	11870	6596	0	8861	0	Phytochemical	0.2	1.05	0.05
24	C20 H21 O4 N1	340.15433	340.15475	0.17907569	340.1544	4041	4155	2837	2911	2408	0	2085	3592	0	5193	11145	1889	0	2558	2091	3553	2808	1655	3351	9049	10001	2348	1790	4849	1482	16323	1546	13185	1193	3284	2374	1984	2835	1938	2959	2838	1623	1691	2251	7399	19584	2897	0	0	0	5617	7774	0	969	2717	2477	2891	1887	0	1784	1584	1662	2444	1034	2968	1536	4354	3068	0	1266	2351	3275	3610	24888	12263	25515	2077	2746	1407	1196	2741	0	1006	3178	7129	1589	3565	2007	9645	2634	0	3074	3304	2975	2090	3492	1993	2473	4475	3499	0	3873	2945	1004	2162	3648	2374	1382	3296	2984	2989	2428	0	0	1933	Phytochemical	0.2	1.05	0.05
22	C20 H21 O4 N1	340.15433	340.15475	0.07210179	340.15436	9338	9527	10106	13758	6002	3925	3294	8719	4899	21136	24940	3770	3005	7103	2592	12463	7255	7059	4719	24484	26631	9992	2518	9832	6074	66119	4451	34008	8249	4282	5069	6161	8997	11387	17429	5864	6276	3375	7176	28384	44908	5533	0	0	0	12753	32054	0	6969	2929	10994	8025	6361	520	3242	2693	4493	5657	3849	10723	6839	17165	3360	2696	3031	5388	7533	6026	62080	52646	80621	6951	3715	2362	4524	3964	0	4226	4855	27986	3787	18632	8395	25236	2661	3037	8099	6293	8672	13260	11409	10315	13834	19221	14560	0	8606	8606	7973	5090	2253	8757	3781	9722	9330	9781	3561	0	6080	3355	Phytochemical	0.2	1.05	0.05
14	C20 H21 O4 N1	340.15433	340.1548	-0.029504318	340.15433	10917	9306	8082	5392	5367	4098	2457	5658	3238	28224	30415	3744	2646	2542	3618	5772	8371	5127	5214	38995	46037	9348	2607	6704	6172	94946	2643	33065	5349	4445	3032	0	8111	2270	33189	7516	7921	2892	7870	24000	31860	4713	0	0	0	12188	18230	0	3775	3242	6552	7492	4489	0	4249	1929	4420	10890	0	6260	0	9960	4200	3823	3189	5862	4040	7161	51201	83795	98700	5102	3730	3804	5311	5004	0	4435	5981	0	5242	5073	3189	19650	3512	2800	8002	4433	4805	19671	9387	3576	13095	9325	21360	0	9774	7065	2776	1208	2058	8265	3984	9236	0	6413	1434	0	5883	3130	Phytochemical	0.2	1.05	0.05
10	C20 H21 O4 N1	340.15433	340.1548	-0.08163402	340.1543	8796	9605	8915	9456	4006	3653	3600	6024	2746	36811	28227	2871	1544	5228	3086	6928	7174	5054	3938	49116	48227	8290	3835	6948	4008	79029	0	35025	6133	4971	2680	4241	7083	4706	30052	4882	6443	2874	6351	23765	19395	2186	0	0	0	12491	13549	0	4909	3352	9735	8364	3113	0	3052	1320	2140	6389	0	2624	0	7818	2563	2647	2196	4582	4343	7934	52288	80981	78897	3138	3742	5312	4509	3802	0	3020	5504	9684	2784	2370	946	13537	2053	934	3767	3933	5458	7652	7007	2362	21900	10454	23880	0	10973	10148	2894	1259	1451	6263	1664	3977	0	9779	2023	0	3867	2512	Phytochemical	0.2	1.05	0.05
22	C17 H25 O4 N1 S1	340.1577	340.1582	0.20193449	340.15778	6435	3185	5901	5605	70829	16466	1751	2311	4200	1891	2323	1469	8005	0	1806	3946	4970	50219	18999	3087	5250	3191	1077	3023	1747	2951	1544	2670	2416	1423	2682	0	3513	17243	3549	2601	4942	5397	5611	3538	4359	3335	0	0	0	2831	6005	0	3921	0	6995	5201	20485	0	11651	0	2137	3979	2979	3741	2900	3165	19591	17249	0	9883	4526	9815	4649	4314	3556	17082	23597	0	2061	0	0	0	3625	4326	1401	0	3122	2609	75189	3854	3184	2745	1912	3700	7681	6007	2474	8190	9240	0	6800	5683	3095	8602	10645	5054	2648	3786	2712	1984	42661	0	0	56519	Organosulfur	0.23529412	1.4705882	0.05882353
2	C17 H25 O6 N1	340.17548	340.17612	0.027245952	340.17548	70185	137748	59708	134926	28768	44727	44834	204000	32941	147964	45228	119352	46077	17515	123836	139472	131860	99936	105794	87243	236808	185668	107860	148764	75316	29901	30129	38796	199078	150398	186792	177226	206896	162866	227862	175258	89303	105298	153050	83633	176050	36580	684	360	426	57492	66253	436	90899	146804	60140	143398	67160	593	80030	20472	18905	171176	45700	90784	137914	97474	41817	75556	20269	43388	44465	168500	43183	127162	74495	185322	183622	184110	77464	155016	461	119254	49837	75418	44773	32491	80528	35053	24532	47222	88128	70814	91646	84474	73161	95627	199818	109696	64808	859	145618	142658	22218	23801	24293	74651	108350	105035	80422	170482	21517	498	39478	48755	Lipid	0.3529412	1.4705882	0.05882353
4	C17 H25 O6 N1	340.17548	340.1761	0.030200263	340.17548	98930	102039	191930	200172	37923	88612	47310	259182	47440	175110	59495	120546	98493	27704	67809	196798	77268	139844	182164	193806	195099	351900	138752	193810	97614	55793	49416	50295	138075	225676	241722	117525	263526	95647	505228	245554	117835	119060	88289	144253	248864	50285	1526	735	903	114739	117320	482	154988	117640	193046	168296	48057	938	149740	41892	23141	211158	69348	68734	208752	79343	147836	106100	21499	122330	110252	77297	63727	116720	86734	213926	199176	228828	52832	221610	670	148184	54016	122824	102042	56033	132606	112462	43575	63954	94512	41142	68236	140380	115207	302994	226610	143722	135605	1474	178550	219888	30673	48185	47388	223352	62985	202571	60530	164392	31274	665	80158	166276	Lipid	0.3529412	1.4705882	0.05882353
22	C17 H25 O6 N1	340.17548	340.17587	0.062277086	340.17548	58103	56261	45826	58708	58451	53917	30506	60397	56805	54733	39448	40659	77818	37111	43693	60733	49563	95965	77749	72942	82776	46564	58432	70822	35318	82370	22228	37540	92254	48333	43095	53681	57573	64466	45377	51817	64841	39588	46555	50109	64972	46533	3438	0	3298	43963	59979	0	64393	52929	54043	54166	52346	3387	84059	55731	33054	61182	34223	37310	70483	43837	65250	65437	22799	64660	53341	41567	75086	75472	99631	56218	52854	51912	44971	53392	3514	39982	51988	30416	45394	26070	31987	40477	72348	40526	58118	39850	52795	48534	52153	54057	61253	41455	61317	3309	44198	60867	46787	49983	62256	65819	33634	60274	31630	57491	52211	3262	34872	83204	Lipid	0.3529412	1.4705882	0.05882353
10	C16 H25 O5 N3	340.1867	340.18716	-0.056745645	340.18668	17977	20890	17644	17875	7566	8966	13042	21947	7521	12208	7901	13094	8517	3324	15773	21024	17955	10504	13150	20859	12954	32452	11815	27316	20235	4407	13034	10166	25051	18712	18407	27371	27697	21704	19345	23308	29636	12372	24433	14261	12033	9811	0	0	0	15301	14303	0	24318	18141	18780	18804	8397	0	9501	3103	5335	25163	10348	6345	26010	7176	7112	6827	5962	9633	6375	23130	0	10916	8641	21008	19487	18049	15360	18109	0	14074	13353	19847	9677	8187	9196	9189	5440	5063	15504	7380	10495	35906	67835	32453	43498	12157	19680	0	16749	18794	5197	4425	4054	20787	11161	21074	0	19573	4827	0	18315	11443	Peptide	0.3125	1.5625	0.1875
12	C16 H25 O5 N3	340.1867	340.18713	-0.096604645	340.18668	11191	9364	9053	12371	5183	7162	7192	17762	4830	5950	3683	8144	3376	2488	8721	14672	16313	7622	5656	7823	4793	16518	8742	13484	11055	1154	4266	10016	15190	10033	13908	16642	16288	18330	7726	13304	14500	9225	17836	6820	5567	4816	0	0	0	7253	5743	0	15336	6915	7841	11374	5600	0	7512	2894	2681	19633	0	8714	0	3492	3990	2807	2573	9338	10036	14759	0	6427	2945	12328	14514	14183	11558	10598	0	9559	8558	0	8410	3955	5448	4330	4226	4833	11032	7161	7037	29137	40177	17520	36179	6909	4935	0	10293	9409	2474	3521	2985	13091	8535	7809	0	14253	3468	0	12540	7844	Peptide	0.3125	1.5625	0.1875
14	C16 H25 O5 N3	340.1867	340.18704	-0.21425015	340.1866	4249	4585	4008	4908	2553	4465	5517	4777	0	0	1663	4577	3975	2462	3639	10040	8214	4398	2179	2066	2737	0	5448	6902	5498	0	4071	0	9099	5665	6769	7953	8875	8707	3546	8103	9880	4007	9576	2646	3404	3942	0	0	0	2604	3855	0	10633	3712	7150	3367	1794	0	2061	1000	1588	9028	0	0	0	0	0	1324	1737	1888	2957	11352	0	2289	1594	4458	7819	4409	7226	6065	0	4789	4828	0	3463	1859	3325	1785	1114	0	6377	3058	2553	10752	28915	16105	15359	0	4963	0	4297	5682	1977	2023	1403	3993	3955	4084	0	7259	2318	0	2765	0	Peptide	0.3125	1.5625	0.1875
12	C21 H25 O3 N1	340.19073	340.19113	-0.04809949	340.1907	1797	2030	1853	1618	0	1473	0	0	0	9740	8366	1293	0	0	0	2085	0	0	1909	16497	14593	0	1240	3038	1250	31214	3509	10469	0	1231	1348	1747	0	1330	6187	1360	1968	0	1827	6317	0	0	0	0	0	1841	3715	0	3945	1825	2695	2045	0	0	0	0	0	2712	0	0	0	0	0	0	782	0	2086	0	21473	23299	25826	3286	0	1385	1557	1956	0	0	0	0	0	0	0	7208	0	0	1790	1495	0	5942	2933	0	2780	0	5998	0	4175	4544	0	0	0	0	1046	0	0	3713	0	0	0	0	Phytochemical	0.14285715	1.1904762	0.04761905
10	C21 H25 O3 N1	340.19073	340.19116	-0.09306418	340.19067	11392	10946	10597	9411	928	1839	3944	6971	0	16018	14336	19865	0	1295	5032	12282	5275	1115	1296	23470	20308	0	5668	5385	4838	30734	16837	14721	30156	26322	23036	33769	60718	20361	10369	35572	73017	10484	2450	5567	1174	6190	0	0	0	3200	0	0	37753	4542	9663	8399	3829	0	0	0	2560	7860	0	0	17101	0	0	0	3819	0	4799	24150	16330	23346	25984	18490	22783	27328	30448	21356	0	18697	2633	0	1281	0	0	5580	0	0	1572	8608	6482	9360	0	0	10359	3094	4905	0	8112	10860	0	0	0	69526	18053	0	0	22683	0	0	2694	0	Phytochemical	0.14285715	1.1904762	0.04761905
18	C21 H25 O3 N1	340.19073	340.19113	0.001516497	340.19073	2529	2128	3376	2058	0	0	2266	0	0	4487	6708	1401	0	0	2129	4646	3368	0	0	5741	4642	0	3112	2697	1764	22205	1568	5505	0	1666	0	0	1658	0	0	0	1686	0	2900	3679	9848	0	0	0	0	2005	2258	0	3552	0	5183	2095	0	0	0	0	0	3208	1613	3125	3388	1725	0	0	1044	0	2239	5732	14690	10916	20887	1800	0	2466	2932	0	0	1159	0	5428	1614	0	0	5141	0	0	3395	1927	0	13118	4071	0	4844	4865	4931	0	4702	0	0	0	0	3737	1243	0	2088	3056	0	0	2217	0	Phytochemical	0.14285715	1.1904762	0.04761905
22	C21 H25 O3 N1	340.19073	340.19113	0.10017183	340.19077	7522	4196	4369	4460	3188	4837	1802	5331	0	5099	8242	5855	0	0	3150	10780	6404	3064	2464	6573	12272	7215	3831	8809	4160	36447	1963	13916	9051	7063	3888	6273	7776	6421	6157	11272	5238	2115	8857	12255	20220	4983	2410	0	0	2961	10794	0	6221	6983	4043	3713	4062	0	0	0	0	6073	5039	9009	8746	5765	0	1866	1587	5070	5078	11428	24445	13206	36078	5275	4706	7709	7596	8986	0	4480	3037	9219	3922	4999	7841	11679	1378	1509	6400	5097	2010	16799	11322	8954	5036	6275	7639	0	3635	3551	1406	1871	0	9749	5550	9572	4514	7347	2843	0	3030	0	Phytochemical	0.14285715	1.1904762	0.04761905
20	C21 H25 O3 N1	340.19073	340.19107	-0.004801443	340.1907	4502	6468	3526	3237	1787	5656	1166	3149	0	5503	5953	1539	0	2009	1658	4879	7955	0	0	7031	8099	3671	2058	6628	2882	23364	2089	6390	1907	2814	1924	3570	2312	3601	2603	2269	3543	1607	6528	6050	13719	2324	0	0	0	1681	7201	0	5106	3625	2949	4649	0	0	0	0	0	3029	2009	5667	5102	1752	0	0	2685	0	1829	10451	19835	16568	29699	4424	1785	4794	4842	2336	0	3337	3756	9142	2171	1731	2585	0	0	0	4311	1304	2961	15221	4502	3118	9027	5306	7537	0	4520	4252	0	0	0	3862	1671	4440	1883	2940	2658	0	4493	1469	Phytochemical	0.14285715	1.1904762	0.04761905
14	C21 H25 O3 N1	340.19073	340.19113	0.031096635	340.19073	0	2952	4606	5918	0	0	0	1907	0	16257	7775	0	0	0	0	2389	3035	0	0	3584	9579	0	0	0	0	25707	1131	0	2660	0	1075	0	1700	1973	10971	0	1523	1130	1219	4287	0	2214	0	0	0	2086	0	0	2233	1531	2833	0	1766	0	0	0	873	3740	24187	0	0	4534	0	0	0	0	1773	4414	16266	16280	17582	0	0	0	2120	0	0	1583	0	0	1060	0	0	3013	0	0	1302	0	0	5982	2743	0	0	0	6182	0	2573	0	0	0	0	0	0	5615	30610	1421	0	0	0	0	Phytochemical	0.14285715	1.1904762	0.04761905
16	C14 H29 O8 N1	340.1966	340.197	-0.09760471	340.19656	0	0	0	1979	3338	2268	0	0	0	0	0	0	2342	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1338	0	0	3489	2324	2530	1792	1349	0	2286	0	0	0	0	1851	2641	0	0	6862	0	0	0	0	0	5395	0	16239	15653	24505	1253	0	0	0	0	0	0	0	0	2022	0	0	0	0	0	0	0	0	8354	0	1575	1318	0	0	0	0	0	0	2219	0	0	5955	0	0	0	0	0	7299	0	0	2405	0	0	Lipid	0.5714286	2.0714285	0.071428575
8	C14 H29 O8 N1	340.1966	340.1971	0.05190691	340.19662	0	0	1221	1428	0	0	2652	0	0	4454	3505	0	0	0	0	0	0	0	0	0	0	3042	0	1189	0	0	4262	17233	0	0	0	0	0	0	0	0	0	0	0	0	0	0	631	0	0	0	3182	0	0	0	0	0	0	0	0	0	0	0	0	4598	16369	2513	5192	0	0	0	0	0	10914	1664	0	0	0	0	0	0	0	0	0	25248	0	486	0	0	0	0	788	0	0	0	0	0	0	1762	0	0	0	0	0	0	0	0	0	3417	21398	0	0	0	0	1902	Lipid	0.5714286	2.0714285	0.071428575
2	C14 H29 O8 N1	340.1966	340.19727	0.0013856	340.1966	6583	6393	4297	4559	9096	16661	0	0	1770	15076	13671	0	3154	37235	0	0	2753	3282	2838	0	710	0	0	0	0	0	0	44107	0	0	0	0	0	0	9336	0	0	0	0	0	0	42477	0	0	0	0	0	0	0	0	5701	5321	14096	0	3231	0	8593	0	0	0	0	0	0	7747	19103	19031	79584	0	0	0	0	0	0	0	0	0	0	0	0	333622	0	0	0	0	3869	2002	0	2361	4929	0	170664	139452	0	32858	33182	0	5946	5867	0	0	733	0	0	0	4458	0	4213	0	0	1149	Lipid	0.5714286	2.0714285	0.071428575
4	C14 H29 O8 N1	340.1966	340.19727	0.17081687	340.19666	1440	1962	1673	1495	1096	6693	0	0	2537	0	0	0	785	0	0	0	1910	0	1745	0	0	0	0	1935	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1891	0	0	25779	0	0	0	0	0	0	0	1053	2003	1996	7073	0	7550	0	13582	0	0	0	0	0	0	15393	32322	36165	65219	4432	0	0	0	0	0	1186	0	934	0	543	0	0	0	0	0	0	10237	3383	0	2040	2720	0	0	0	0	0	0	0	1865	1751	0	0	0	0	660	0	0	0	1137	0	0	580	Lipid	0.5714286	2.0714285	0.071428575
12	C14 H29 O8 N1	340.1966	340.19714	0.1575633	340.19666	4054	5403	3130	6909	3008	0	0	2435	1062	0	2287	1185	1476	1710	2752	0	0	2334	2416	2395	0	0	2651	0	3959	1327	0	0	2712	1557	1520	0	3010	0	1532	1697	0	1540	0	7033	0	2904	6518	5187	6221	6711	8515	5124	1128	0	3050	6423	1601	7502	0	1202	1235	0	34857	0	0	14623	2035	0	35540	2871	2588	0	0	2957	6506	1262	0	1509	0	0	5515	0	0	0	1005	3429	1602	1779	2954	13518	0	0	0	0	8906	2400	0	0	2695	4623	3743	5586	2549	970	2477	0	0	2818	909152	0	4271	5078	0	1766	Lipid	0.5714286	2.0714285	0.071428575
2	C15 H25 O4 N5	340.19794	340.19846	-0.0911467	340.1979	0	0	0	0	0	0	1063	2055	0	0	0	1523	0	0	3823	10159	0	0	0	658	976	1616	1310	1008	2386	0	0	0	2750	1191	1699	2021	6415	1547	0	1800	2986	1968	3063	0	0	0	0	0	0	906	0	0	1126	1415	0	0	0	0	0	0	0	5840	414	0	1777	0	0	0	0	0	0	20707	0	329	0	1808	1201	954	1369	1022	0	1400	1174	0	1235	0	664	494	0	0	1327	0	0	5383	0	0	7196	0	0	0	0	0	6194	0	0	3842	2208	862	0	1890	0	0	1498	0	Peptide	0.26666668	1.6666666	0.33333334
0	C15 H25 O4 N5	340.19794	340.1986	-0.09922939	340.1979	1908	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1117	0	0	0	883	0	1370	0	0	0	0	0	1317	0	0	0	2577	0	0	0	0	0	1080	0	0	0	0	0	0	0	0	0	1747	0	0	0	0	0	324	0	0	0	0	0	0	0	0	0	0	0	0	1083	0	0	0	0	0	0	0	0	0	0	1057	0	0	0	0	0	0	0	1190	0	0	3013	59607	9537	2097	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26666668	1.6666666	0.33333334
24	C18 H29 O5 N1	340.21185	340.21222	0.016271645	340.21185	38186	36106	41004	42479	60018	38039	34870	34976	53766	38843	27780	23180	67395	43964	32766	48216	32414	64201	81686	53953	45264	36617	32346	46055	30748	49713	34399	27230	38573	31401	25721	37386	43604	37203	35732	47712	49287	22653	28790	40728	38837	39087	7598	4371	5522	35893	35345	3373	36924	27003	39422	38603	50531	5589	72807	50214	43898	51754	26558	18765	47326	24731	51198	49685	35994	65095	58840	31182	41137	48350	57058	27342	28532	29153	27988	28842	0	23307	43463	29171	22270	18969	28703	35462	64528	37155	47513	30074	37322	46908	63483	66173	68734	25457	46283	4146	39977	49520	38336	50154	56751	49135	21709	44586	29850	40615	49872	3442	25515	42465	Lipid	0.2777778	1.6111112	0.055555556
12	C18 H29 O5 N1	340.21185	340.2123	-0.03757124	340.21182	23064	22362	34954	25317	10821	13600	27855	45987	9492	18916	12728	23557	12455	9159	28428	25046	42740	16159	26765	32643	37309	32016	17681	32338	33839	20223	21596	12297	41133	31342	32836	34373	45465	32397	40916	37813	36143	20589	38677	26978	22027	14434	0	0	0	27280	23464	0	44378	29673	27070	27103	16986	553	9324	9640	9734	41052	5919	16898	28148	11112	10149	8281	7430	18916	17747	43709	0	34640	31528	26323	32507	36414	27765	31952	0	30245	21057	17552	21373	11466	11820	17343	13972	11096	36657	14115	21279	69877	43561	37265	59379	18431	28539	0	21823	28020	8463	12180	13822	30234	23269	27293	0	36774	9974	0	28731	15153	Lipid	0.2777778	1.6111112	0.055555556
20	C18 H29 O5 N1	340.21185	340.21225	0.030914562	340.21185	148522	142209	156580	139477	136754	114780	129434	161509	103230	137739	105640	111165	158829	107484	116056	226223	208054	195584	204268	229837	248290	138110	114615	169802	116696	228315	126868	111733	195157	158601	100504	154913	185530	183209	145451	182782	189863	93789	166823	135091	181159	139972	7915	1493	593	123203	144014	777	177596	148859	147576	154931	127958	5081	147030	132771	78711	172190	95680	134479	196565	104252	125161	120896	73390	155905	128892	188078	199145	209399	230825	141621	170321	159497	227911	154251	523	104228	131103	135069	86137	75020	124812	105932	129041	98781	157654	133986	131623	197311	191679	185318	205180	112784	166487	1914	136469	194497	107660	120754	177627	234169	94670	209474	96376	139410	127511	1027	119564	136801	Lipid	0.2777778	1.6111112	0.055555556
4	C18 H29 O5 N1	340.21185	340.21246	0.014509243	340.21185	68160	72507	65915	62324	8420	15126	45722	161127	7955	46996	18637	47297	9401	7713	54618	269389	81770	14466	21392	62169	53383	75246	41812	113406	174722	17587	46687	18073	137135	92804	145184	117532	75893	95885	68037	122489	85284	48102	79984	49890	37016	21480	0	0	0	52703	41869	0	144657	133299	69151	59483	14053	260	13122	5234	9899	246706	10123	14868	252329	27149	8205	9957	8536	13719	21087	65167	11997	45415	21372	114556	106302	130680	70929	87340	0	58853	35324	37582	33917	16448	27037	32479	6780	12648	38906	15977	24450	127660	116478	78679	113128	43511	70132	0	71909	79617	6435	6811	6775	63985	45985	105926	22361	61700	6682	0	94028	10956	Lipid	0.2777778	1.6111112	0.055555556
12	C17 H29 O4 N3	340.22308	340.22336	0.022019831	340.22308	0	2902	0	0	0	0	0	3554	0	0	0	0	0	0	1038	1664	3387	0	0	0	0	0	1199	0	2568	0	1369	0	3371	985	0	1208	5475	1515	0	3340	2940	1294	3519	1399	0	0	0	0	0	0	0	0	2227	0	1303	0	0	0	0	0	0	2809	0	0	0	0	0	0	0	0	0	5596	0	0	0	0	3084	1284	1141	1105	0	0	0	0	0	0	0	994	0	0	0	0	1767	4950	36709	11268	0	0	0	0	0	0	0	0	0	0	0	0	0	2361	0	0	1897	0	Peptide	0.23529412	1.7058823	0.1764706
6	C17 H29 O4 N3	340.22308	340.22357	-0.012716127	340.22308	1704	3010	1949	2680	1530	6156	1425	2133	1222	2400	950	0	1048	483	1869	2779	1352	1111	3170	1598	895	2189	1807	2752	3537	0	630	0	4046	2111	2342	1981	4619	1360	1348	2227	3957	1477	3245	1945	0	1217	0	0	0	1638	0	0	3425	2137	3503	1728	1339	0	1829	0	564	3495	0	0	1874	0	1340	0	0	1582	1606	2359	0	3750	0	2462	807	2140	1312	2119	0	1087	1768	11424	1024	332	0	0	0	0	2650	667	1062	6121	83681	20423	7254	1136	2727	0	2262	1690	439	939	603	2578	1789	2105	0	3338	0	0	1729	1340	Peptide	0.23529412	1.7058823	0.1764706
10	C17 H29 O4 N3	340.22308	340.2235	0.004397095	340.22308	2319	2039	2446	1665	968	926	1117	3476	0	1124	0	0	1046	0	1904	2211	1939	0	1206	0	0	1528	0	0	2852	0	0	3682	1869	2005	4215	3228	3502	1502	0	2029	2935	1011	2252	0	0	842	0	0	0	0	0	0	1263	1166	1603	1933	0	0	1259	0	0	3306	0	0	0	0	0	0	0	0	0	3665	0	1365	1419	1111	2240	1441	1237	1748	0	1259	0	16870	0	0	0	0	0	0	1179	0	935	1860	85101	13342	4603	1573	1678	0	1794	1781	0	0	0	3821	1371	0	0	1479	0	0	1504	0	Peptide	0.23529412	1.7058823	0.1764706
8	C17 H29 O4 N3	340.22308	340.2236	0.005264188	340.22308	4278	3864	3010	4927	1489	2404	1098	3898	0	2312	1509	950	1293	0	1775	1248	1845	1736	1213	1927	0	2016	989	2674	2351	1029	2140	16795	2328	1550	2122	5165	3896	2853	1952	2427	2751	1249	1355	1972	0	979	0	0	0	2439	0	0	3760	1211	4268	4466	1283	0	0	0	0	3987	0	0	0	1272	1547	1244	0	1221	1271	1731	0	3659	0	0	1420	2077	1657	3084	0	988	1603	42852	1570	495	0	1076	719	0	904	0	0	5716	178394	38881	3141	6946	4082	0	5492	3339	0	0	0	1504	1073	0	0	1397	0	0	1297	0	Peptide	0.23529412	1.7058823	0.1764706
4	C17 H29 O4 N3	340.22308	340.22366	-0.008320973	340.22308	1643	1932	1077	657	510	3205	640	1233	664	0	0	408	1129	657	1615	1632	906	1143	1042	1163	554	1004	1427	3230	2261	181	814	0	1720	853	1656	1398	2009	813	1410	1348	2301	1078	836	0	0	587	0	0	0	0	0	0	1307	864	1571	491	756	0	1834	295	702	3189	0	0	1791	0	1208	687	0	1005	1113	1966	0	0	0	1280	887	1031	1500	1039	0	1066	893	0	385	0	0	331	0	482	2012	1601	402	4514	20659	4611	5826	0	0	0	1087	1222	0	0	0	1287	1024	923	0	2749	375	0	1193	1899	Peptide	0.23529412	1.7058823	0.1764706
24	C22 H29 O2 N1	340.2271	340.22745	-0.015921658	340.2271	1564	1710	1153	0	0	0	0	0	0	0	0	0	0	896	0	1874	1852	0	0	0	0	0	0	1488	0	3712	0	0	0	0	0	0	0	1064	0	0	0	867	2158	0	0	0	0	0	0	0	1395	0	0	0	1254	0	0	0	0	0	0	1631	0	0	2002	0	0	0	0	0	0	1884	3731	0	3123	0	0	0	0	0	0	0	22618	1619	2926	0	0	0	0	0	20836	0	0	67409	1617	0	10608	0	0	0	0	1300	0	0	0	0	0	0	0	2639	0	0	6160	0	Phytochemical	0.09090909	1.3181819	0.045454547
14	C22 H29 O2 N1	340.2271	340.22754	0.056634385	340.2271	1843	1553	0	1544	0	0	0	5082	0	0	0	5034	0	0	0	54679	0	0	0	2014	0	0	0	24025	1999	4196	0	0	1782	0	5469	0	2181	1202	0	1832	0	0	0	0	0	0	0	0	0	0	0	0	2356	2110	0	0	0	0	0	0	0	29183	0	0	39534	0	0	0	0	0	0	2578	0	0	0	2236	1197	2017	0	1228	0	3458	0	0	0	0	0	0	0	0	0	0	0	30822	0	0	21430	0	0	0	0	0	0	0	0	0	4624	0	0	21563	0	0	0	0	Phytochemical	0.09090909	1.3181819	0.045454547
12	C15 H33 O7 N1	340.23297	340.2337	0.047106367	340.233	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2505	0	0	0	0	1902	0	0	0	0	0	2116	6255	0	0	0	0	0	0	6109	0	5326	5901	0	10640	0	0	6990	1478	0	1004	3821	0	0	0	0	2727	0	0	0	1791	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3105	0	0	0	0	0	1671	0	0	0	0	0	105722	0	0	0	0	0	Lipid	0.46666667	2.2	0.06666667
14	C15 H33 O7 N1	340.23297	340.2334	-0.080115736	340.23294	63789	62922	62609	74623	6314	4261	0	101271	1758	60995	6201	0	12227	7275	0	122294	2368	6843	3695	128020	7580	7852	11414	35551	0	3655	0	0	24505	19172	105676	501741	24393	42212	9915	31337	32485	0	3377	116859	7066	12062	19557	0	0	113214	233226	0	204177	75485	63869	68703	1392	12440	1818	2686	3798	66414	0	6778	61012	7042	17675	424417	0	0	2188	11347	0	333272	17960	62980	97672	32384	37345	105373	0	2305	0	0	0	0	0	2469	0	0	0	4753	4610	12748	171561	14833	2345	0	45935	579	65684	77402	4607	0	1405	10273	34528	3704882	0	11168	0	0	0	4401	Lipid	0.46666667	2.2	0.06666667
18	C15 H33 O7 N1	340.23297	340.2334	-0.2277206	340.2329	0	0	0	0	0	0	0	0	0	0	0	0	5705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	466	509	0	0	0	403	0	0	0	0	0	397	0	0	2944	0	1617	0	0	0	20403	0	4182	21358	1930	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1401	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3171	0	0	0	5701	0	0	547	0	0	Lipid	0.46666667	2.2	0.06666667
6	C19 H33 O4 N1	340.24823	340.24878	0.015889198	340.24823	21909	20863	20827	18769	0	4144	26421	43208	553	7941	5099	19218	0	458	21170	42951	26485	3202	7257	9276	5358	9778	16199	90303	26314	624	26106	2552	36467	31104	39573	38752	32691	25066	11169	34149	33955	21583	29836	4093	1836	12852	0	0	0	17830	5485	0	54727	42134	17064	18321	6982	0	0	0	3211	38715	0	0	40495	1478	0	855	3839	3236	12062	33885	0	2340	0	35656	25271	28068	38721	25763	0	19661	17007	3969	15830	1272	905	3193	604	3761	27406	7632	14617	51114	21942	6400	30868	5377	9697	0	19363	17608	0	0	0	28700	18840	16191	0	20817	441	0	20722	0	Lipid	0.21052632	1.7368422	0.05263158
22	C19 H33 O4 N1	340.24823	340.24863	0.021950552	340.24823	16446	17498	17292	11363	22244	16716	17511	10157	21233	12277	8778	7311	20095	15633	5979	22745	32510	15258	13018	7330	15239	23907	9358	4911	13329	9006	18366	13782	17499	15004	6992	13294	21203	14854	24407	19254	16694	8390	20065	9148	12462	19392	5565	0	452	11535	16305	4696	22722	26972	16023	11438	12529	5909	10354	9792	8826	15153	12735	19209	12466	5518	15277	11329	6813	29835	20942	26498	5817	7391	13938	10516	8237	12949	19092	21821	323	7357	16775	18814	5212	5375	9904	10864	13329	11340	20368	15002	11882	30748	32191	20895	21261	18298	18500	0	11361	16941	11857	19683	25596	31204	6195	13972	9813	60722	19596	0	10341	20491	Lipid	0.21052632	1.7368422	0.05263158
4	C19 H33 O4 N1	340.24823	340.24884	-0.02199019	340.24823	8670	8207	7980	9387	0	3124	10089	17288	0	2917	1986	7726	0	0	8029	19270	18597	2028	2545	3799	3792	4922	6292	21774	10231	261	13399	0	14146	11302	12307	13516	18734	15418	2788	16916	17377	6115	23637	3565	1832	4878	0	0	0	5595	2929	0	18507	15263	8932	6749	3464	0	306	0	1232	13029	0	0	14401	1522	0	375	1099	3212	6172	22257	0	0	0	15188	13684	14466	19134	11396	0	6941	11751	5067	8558	767	1371	2530	0	2037	14724	6229	6117	21269	8725	2603	12840	2786	5333	0	7979	9322	0	0	0	21116	6703	7518	0	8973	0	0	13018	0	Lipid	0.21052632	1.7368422	0.05263158
26	C19 H33 O4 N1	340.24823	340.24866	0.074075	340.24826	14310	9294	8866	8452	18322	7982	9675	7808	10028	4032	11111	8282	13004	8167	9670	6819	11778	8663	15405	9893	10539	9392	0	0	7821	5969	8167	21166	14547	12163	6674	14690	15761	13388	10744	11777	9763	13751	14832	9917	13036	12036	0	0	0	11794	8044	0	11901	8372	14721	11002	15963	0	13208	16065	9572	10255	11439	10808	12438	7761	10031	9647	7959	22269	29254	13545	0	5810	5355	6154	11040	10135	9396	9236	0	6305	6858	26507	2996	19057	15872	11313	11733	21720	17127	13161	13698	13928	40029	41560	8550	14106	13727	0	11495	11515	11147	14547	14477	18377	4110	14911	18912	12522	15589	0	6412	7491	Lipid	0.21052632	1.7368422	0.05263158
12	C19 H33 O4 N1	340.24823	340.24866	0.023002347	340.24823	5288	6472	4499	5546	1377	6150	8759	41301	0	4020	2069	15701	0	2167	4679	17075	18384	0	2315	6849	2865	4646	5070	9985	6715	0	10932	0	16982	16423	28180	14827	19224	17301	4413	21065	15982	4662	19212	1253	0	4657	0	0	0	2861	3476	0	22497	26886	6961	7029	2863	0	0	0	840	24774	0	0	0	0	0	0	2264	2327	3965	32812	0	3134	1483	17690	21376	19765	11034	18176	0	15040	5829	0	4943	0	0	2249	0	1132	71211	4010	3818	55600	31808	3823	9885	0	2823	0	6377	9267	0	0	0	6953	12738	0	0	13406	0	0	5753	0	Lipid	0.21052632	1.7368422	0.05263158
10	C19 H33 O4 N1	340.24823	340.2487	0.03343294	340.24826	8701	7303	9917	7046	1049	2135	12090	23434	1201	6861	1900	10139	0	1184	4232	22527	12403	0	2544	4645	2381	3206	3726	13635	6866	0	12407	0	17130	24146	15826	17473	13825	11766	3886	17074	15296	6797	16462	2163	938	1923	0	0	0	3929	0	0	25862	18907	9411	6689	2158	0	1179	0	1453	22512	0	0	20996	0	0	1173	2335	1302	3567	18561	0	2616	0	25505	14766	16067	18252	16982	0	9955	7420	0	3596	0	0	2226	0	1309	17390	2135	4933	31672	19330	0	12378	1383	4695	0	9380	7856	0	0	0	10363	5887	4861	0	8585	696	0	7288	0	Lipid	0.21052632	1.7368422	0.05263158
20	C19 H33 O4 N1	340.24823	340.24863	0.07758985	340.24826	4453	5597	6610	4455	3965	2118	4817	4066	4956	2186	0	1540	0	1573	3442	5817	14787	2103	0	2352	2390	8992	2951	7193	6134	1982	7729	3270	5636	7862	4423	7090	12055	8457	3396	6960	4271	2323	14520	1878	3354	1718	1484	0	0	3043	0	741	6481	9701	6053	3380	1063	1330	0	0	1840	9998	2129	5827	7530	0	0	1859	1569	4472	4157	12696	2078	0	4852	1578	4108	8710	14576	5908	0	2739	13221	8499	3727	0	3178	0	0	3033	32398	4245	3712	57001	35531	8705	22833	7644	6132	0	6757	6604	1860	0	4442	14673	2518	3377	0	12825	8533	0	6669	3981	Lipid	0.21052632	1.7368422	0.05263158
16	C19 H33 O4 N1	340.24823	340.24857	-0.041925848	340.24823	2083	6104	2957	4179	0	6716	2506	9051	0	0	2469	2687	0	0	1330	9737	7657	0	0	0	0	2663	0	1888	4156	0	6824	1865	5523	11368	9903	8839	11240	5442	1808	5432	8933	1927	9157	0	0	1932	0	0	0	0	0	0	14764	5625	2871	2606	0	0	0	0	0	9271	0	0	8920	0	0	0	0	0	0	11551	0	0	0	13206	19592	24032	8326	10584	0	2319	9619	0	0	0	0	0	0	0	14681	0	3149	45451	17612	0	0	0	0	0	5396	4349	0	0	0	8164	0	0	0	0	0	0	2689	0	Lipid	0.21052632	1.7368422	0.05263158
8	C19 H33 O4 N1	340.24823	340.24872	-0.045870036	340.24823	17428	22816	16675	22850	709	5085	27825	65742	0	4976	4736	24396	0	1329	16432	60563	30767	2936	4980	8552	5152	8738	11680	46169	21195	647	27594	2961	32081	48404	46281	42459	30155	27406	8803	37052	33378	15752	34694	3082	1574	11392	0	0	0	8675	2003	0	66833	58907	17090	22910	4545	0	0	0	11148	42348	0	0	43645	1380	0	1223	7257	3493	10545	38277	0	3016	2379	38657	28478	35500	40659	34067	0	26190	16212	4670	10770	0	515	3503	0	0	28714	8839	12883	67289	19911	0	24249	4861	5608	0	16367	22542	901	583	0	27952	24452	17563	0	25032	0	0	25539	0	Lipid	0.21052632	1.7368422	0.05263158
18	C18 H33 O3 N3	340.25946	340.25986	-0.016580246	340.25946	2043	1536	0	0	7640	2883	0	0	0	0	0	0	0	18043	0	0	1976	2351	0	0	0	0	0	0	0	0	3363	2836	0	0	0	0	0	0	0	0	0	0	0	0	0	5774	1502	0	0	0	0	0	0	0	1888	0	2474	348	0	1423	3456	0	0	0	0	0	0	0	30721	0	3762	3111	1734	0	0	0	0	0	0	0	347	0	0	0	0	0	0	0	0	30315	0	34269	3171	2024	0	0	0	0	0	0	1819	0	0	1845	4667	0	0	0	0	0	3644	0	0	0	Peptide	0.16666667	1.8333334	0.16666667
12	C18 H33 O3 N3	340.25946	340.25998	0.08077162	340.2595	11705	15835	10935	12622	26481	0	0	0	0	0	0	0	14817	1980	0	0	0	3441	0	0	0	0	0	0	0	4925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14687	15032	3980	0	0	53731	92352	0	0	0	0	0	0	0	398637	2301	2786	0	0	2694	3545	0	0	0	0	0	0	0	0	0	0	0	0	0	245237	1724875	0	32599	0	0	0	0	0	0	0	0	12477	15576	21748	87518	486914	0	0	0	0	0	563321	0	0	0	Peptide	0.16666667	1.8333334	0.16666667
10	C18 H33 O3 N3	340.25946	340.25995	0.024520518	340.2595	413775	373436	438417	404156	45763	41083	25306	4092	7231	44738	5125	8053	59194	9239	2165	922022	24610	197838	37266	19908	4374	3881	0	439926	12699	11378876	53912	7717	9476	493968	204519	38368	7357	11110	8037	21087	7186	604099	26760	70112	35358	49625	2514	0	0	5779	2991	0	630449	12887	440566	415776	268830	790	20850	5588	16977	610022	0	0	780205	589044	64086	1304054	31047	150857	119201	43498	9904048	6190620	10171827	3613	21838	13107	10934	7443	0	1622	3068	17531	0	3728	2079	1234	21154	35716	31884	141722	42012	79602	9085	3219	5284	3460	3851	1006	425078	451521	20510	10456	26426	14200	2844	817138	14066	3417	14396	0	4650	15072	Peptide	0.16666667	1.8333334	0.16666667
12	C14 H12 O10	341.05032	341.0508	0.10111533	341.05035	9603	8011	7519	11101	38428	15040	0	0	40485	0	2103	3366	70951	12563	2340	0	3906	28055	32197	0	2875	0	5435	0	0	0	1775	0	0	905	0	0	1817	1407	0	0	3261	2907	0	0	0	11170	390	0	0	0	0	0	1290	0	6230	10895	21599	0	37082	41859	15251	0	0	0	0	0	94476	51900	10826	47176	10992	0	0	0	0	0	0	0	0	0	0	3071	4989	0	5592	1226	0	0	38435	9413	5091	9115	11889	0	0	0	3869	9658	0	0	8553	7548	29166	47356	43920	3858	3184	0	0	2845	26843	0	1296	90926	Phytochemical	0.71428573	0.85714287	0.0
10	C14 H12 O10	341.05032	341.0508	0.13847938	341.05038	6115	7937	8378	7420	32377	9316	850	0	33926	1607	4979	1919	66158	8825	1793	0	0	28128	29832	0	3160	8226	5016	0	0	0	1302	0	1036	0	0	0	3062	0	2376	0	1699	1531	1737	0	1481	9544	627	0	0	0	0	488	1180	0	6974	10918	20889	0	36688	41088	12930	0	0	0	0	0	76118	52261	10967	41655	8692	1857	0	0	0	0	0	0	1322	0	0	2115	3113	0	4197	800	0	0	38117	8921	3612	11031	10091	4896	0	0	4449	7655	1970	0	9297	8749	30197	57022	42650	3436	1440	0	0	0	25028	0	0	82283	Phytochemical	0.71428573	0.85714287	0.0
14	C14 H12 O10	341.05032	341.0508	0.14597178	341.05038	6729	5049	7343	6803	33256	14617	0	0	34368	0	4725	2406	60314	14229	2125	0	0	32945	24811	0	0	0	8019	0	0	0	1225	0	0	0	0	0	2831	0	0	0	3366	3515	1429	0	0	6341	0	0	0	0	0	0	0	0	3973	4231	17600	0	28257	28298	11269	0	0	0	0	1422	71554	35991	8588	41444	8837	1412	0	0	0	1002	0	0	0	0	0	2999	5425	0	5551	1203	0	1046	27795	6938	2959	8925	13278	0	0	0	0	0	1768	0	0	3482	18544	42035	32925	0	2569	0	0	2776	17623	0	0	72616	Phytochemical	0.71428573	0.85714287	0.0
8	C14 H12 O10	341.05032	341.05093	0.15239409	341.05038	3480	3048	4183	5369	20084	6101	0	0	21112	0	2242	1620	37022	3869	900	0	0	14420	18191	0	1005	4923	1775	0	0	0	0	0	0	0	0	0	1187	807	0	0	1140	1276	0	0	1810	5443	0	0	0	0	0	0	0	0	3705	3761	9387	0	20601	26254	7615	0	0	788	0	0	51396	28585	7470	25261	5462	1072	0	0	0	0	0	0	0	0	0	0	2528	0	3080	0	0	0	22932	0	2921	8181	5807	0	0	0	0	3635	1149	0	2456	3735	17791	41549	26956	1557	1164	0	0	1216	14453	0	0	47417	Phytochemical	0.71428573	0.85714287	0.0
12	C18 H12 O7	341.06558	341.06613	0.14689526	341.06564	9014	8192	8614	6897	12233	4098	0	2961	12323	20061	15602	1959	12174	6054	3857	3329	0	11831	13626	10825	12624	21161	5174	3679	0	8459	0	0	1559	1779	1702	1989	4797	2284	34530	1969	0	4647	5238	7242	12846	2882	0	0	0	5173	8485	0	3379	1117	7989	12206	8165	0	15009	8796	6509	0	4429	0	0	7458	19512	9443	4565	10636	6305	0	0	13290	19077	0	0	0	3607	1717	201	3862	9496	0	9106	7571	2107	4222	11629	6196	5748	4321	4760	9984	5475	5264	6612	20407	24975	0	5933	6283	11557	13269	8933	4026	2994	3310	0	4744	8876	0	2099	16489	Phytochemical	0.3888889	0.6666667	0.0
14	C18 H12 O7	341.06558	341.06607	0.13202894	341.0656	12664	23558	12624	16097	20163	10961	5512	4584	23681	52673	37493	6847	31444	11828	7288	6181	7550	32724	36821	30304	35948	47280	10297	6542	4539	19236	5567	16018	4750	4794	2654	0	9360	3989	69361	3538	9863	5815	8938	23347	21794	10179	0	0	0	14780	16868	410	2722	5149	15222	14596	22770	203	22883	18659	13112	10202	5913	8737	0	16450	37062	22648	13536	28651	11214	6419	28773	24601	34190	4108	2899	1428	4626	2961	0	7044	24748	29368	14992	13958	3830	14205	24836	16066	21272	12651	12000	12144	10683	11393	13398	48910	51856	0	16037	12193	23100	24002	24884	7523	5420	6766	0	9139	18583	0	9269	28645	Phytochemical	0.3888889	0.6666667	0.0
22	C18 H12 O7	341.06558	341.066	0.09950384	341.0656	15111	15945	11028	9591	22415	13201	8915	10139	19472	13141	13085	6842	17509	12278	9679	10229	10632	36041	29173	7570	12801	26969	11421	14783	10453	10480	7792	7963	7672	6704	5779	4135	10639	6234	25359	5833	8933	10990	9347	13228	13317	13581	0	0	583	11724	13504	0	8860	7726	15497	13511	14243	616	23145	16028	13729	15090	4582	7896	11495	5620	29373	20480	12021	19167	15770	11022	8858	10888	12716	5108	3626	3527	6934	7405	0	7973	27825	21432	16852	11685	6211	11338	28076	17434	26605	15531	15045	26490	6763	7440	16924	30037	27830	0	12820	11635	16165	19211	17442	7885	7224	5479	9036	10900	16641	0	14502	27108	Phytochemical	0.3888889	0.6666667	0.0
20	C18 H12 O7	341.06558	341.066	0.110639274	341.0656	29497	29947	24254	24061	34792	19386	17060	9904	36065	30425	23956	12196	48334	24036	13153	9730	11940	41790	52670	25021	26682	44221	17508	19095	14549	19815	12389	14706	9555	7074	7262	6981	9077	4751	39379	6625	14460	14706	15836	21842	30354	19121	1669	0	827	19190	24766	1874	8718	5548	24378	21401	27041	499	29541	25345	24464	14846	10308	12324	14774	21708	45410	30440	19112	36652	23938	15948	21784	23718	34043	4659	5934	2028	8227	7799	664	9698	33990	41481	18331	21272	14872	16737	46324	27618	39865	26388	27383	32734	14398	16410	20847	49382	51491	1060	19969	23177	28691	41254	38372	13150	9561	15610	20461	15026	26060	990	22422	48680	Phytochemical	0.3888889	0.6666667	0.0
18	C18 H12 O7	341.06558	341.066	0.090370595	341.0656	29658	34538	30681	25533	41138	26354	14209	8961	41028	63057	48060	11170	52080	23759	14794	18405	14434	66675	66650	41331	42999	60152	21782	21203	13342	27915	14013	31696	8270	8821	10642	5237	21011	8773	63767	5749	22022	12778	16790	35153	38375	20086	1757	385	554	22741	31107	1076	14684	7796	26332	29396	36735	351	43603	35351	23867	21905	12382	10449	22277	28902	59978	38940	22330	54723	33127	16173	29311	32016	33542	5911	5348	2217	4585	8238	465	8335	36286	50656	28300	25137	13247	27118	50295	34840	39144	25040	28463	22601	30170	27850	24524	58720	78973	991	29027	30863	33283	44211	46525	11657	7791	16886	19638	13062	29462	465	13993	58966	Phytochemical	0.3888889	0.6666667	0.0
16	C18 H12 O7	341.06558	341.06604	0.11561908	341.0656	25533	27269	23657	26950	37864	20256	8890	7164	40306	65156	45027	8922	43519	18807	15359	10332	9274	47411	53950	46571	47347	61706	16617	10164	8459	27874	9454	22545	6026	5156	6500	4441	15303	4618	90535	6689	13758	13355	10617	29979	40770	11771	1007	0	635	22824	35073	602	9119	5152	24327	31862	25565	518	38129	25182	17950	15598	8865	12331	10264	22960	60119	35926	18250	43173	22476	9885	25619	33778	42076	5613	6900	2401	5573	7477	0	6335	28612	47823	26049	24817	8146	27772	37597	22433	31740	17674	24419	40907	20079	21057	0	61977	70269	534	31504	26719	29435	38156	40307	10259	8855	10312	16962	0	28744	310	10927	44157	Phytochemical	0.3888889	0.6666667	0.0
16	C15 H16 O7 S1	341.06894	341.06943	0.20962359	341.06903	19285	19475	18778	19541	23879	18705	3461	0	21756	87976	41348	1962	37591	8930	3116	4077	2831	28626	28203	44077	37414	65578	4082	4706	4166	31998	1880	44521	3405	2067	2562	3670	3674	2507	84371	2519	5057	2182	2891	59363	38453	5132	961	0	275	13728	13471	0	3984	0	15029	20344	19086	0	15440	16611	6959	6529	15573	9672	0	46695	16772	15647	6933	20131	10186	0	33771	48556	38032	0	0	0	0	1409	0	0	7157	46217	2137	13085	7847	30648	15889	8512	6631	10874	10920	0	31794	55368	0	72824	109793	0	21482	17673	16648	13614	12296	6060	0	12340	10950	0	17220	0	4718	34824	Organosulfur	0.46666667	1.0666667	0.0
18	C15 H16 O7 S1	341.06894	341.06946	0.18315582	341.069	10212	9680	12996	11449	19727	18643	3262	0	12040	47711	16782	1783	36857	7383	2422	2515	2462	31163	18435	16246	18359	40451	2323	3292	5849	16772	1858	12106	0	1551	2476	0	1755	0	40393	2214	6352	2396	1756	29352	16311	6615	429	0	0	5572	7356	0	2051	0	12482	14324	10733	0	17304	9835	4651	3145	10996	3275	3624	26216	10537	16841	6801	18198	6815	3316	21535	25103	16189	1731	1946	1298	1314	0	0	1547	6692	24855	1415	8883	6259	14987	9589	4866	2878	6509	8853	0	32852	33682	5449	27867	51659	0	13047	10425	11657	14468	9806	2632	2255	14504	4518	4338	12922	0	4411	26603	Organosulfur	0.46666667	1.0666667	0.0
10	C17 H12 O6 N2	341.0768	341.07748	0.3314769	341.07693	5844	10269	3699	7767	7737	5133	0	3465	9579	18576	16392	6276	14649	5220	3324	0	5730	11658	8493	18618	25383	16566	3996	4788	2925	18183	0	0	0	0	0	0	4179	0	20160	0	0	2712	0	17229	47370	4137	0	0	0	16290	25413	0	0	0	6903	6171	3753	0	11905	10983	5736	0	0	5832	0	19116	20271	9048	2847	8667	6696	3933	41325	33336	58515	0	0	0	0	0	0	0	5964	19644	5358	11799	2979	11103	12264	5913	7896	5211	5844	12123	0	6516	6093	16653	23400	0	9645	4890	7605	14541	6639	0	0	0	0	6984	6195	0	2484	14886	Phytochemical	0.3529412	0.7058824	0.11764706
18	C17 H12 O6 N2	341.0768	341.07727	0.19566725	341.07687	5310	4489	2971	9038	3761	3223	3630	3274	3006	7525	5644	3591	4556	1280	2194	4063	4554	4759	0	3893	6179	14152	2881	4782	2148	5478	2964	3207	0	1736	3855	2598	3769	0	6197	0	6147	2179	8007	8748	25297	0	0	0	0	5477	12524	0	2378	1546	5459	5773	3293	0	3799	2988	2472	5270	1777	7553	5029	5002	6193	4634	1829	2949	4074	7927	6698	7395	14805	2797	0	0	3394	0	0	2251	4678	19540	4042	6312	3143	3063	3007	3173	6443	3906	4629	14592	4515	7357	11235	13932	16482	0	5626	4790	3462	3584	2563	5051	0	3936	4685	6176	1441	0	3478	3137	Phytochemical	0.3529412	0.7058824	0.11764706
16	C17 H12 O6 N2	341.0768	341.07727	0.14880045	341.07687	6113	5247	5274	6900	4124	1925	2931	2755	4846	9944	10614	2018	4122	2312	1900	4690	4082	5685	7909	2748	9963	9874	2687	4237	1407	8188	2894	3720	0	1502	1374	0	3942	1637	16867	0	4973	1559	3195	16534	29018	2434	626	0	0	8298	17323	0	1800	1295	4484	7978	3631	0	3200	3966	3256	4919	0	6063	0	6789	8421	5892	2533	10113	4243	5893	15338	15140	26093	1395	1248	0	0	1532	0	1253	7417	15885	5638	7589	4349	8106	4345	2121	7394	5573	3278	0	5046	4030	0	20101	20163	0	6887	3443	2400	7000	3695	2517	2104	2002	4259	0	1338	0	5371	6143	Phytochemical	0.3529412	0.7058824	0.11764706
10	C14 H16 O6 N2 S1	341.08017	341.08075	0.25054103	341.08026	7316	8711	7621	10004	8662	4211	6505	5070	7463	8701	5949	4586	8764	1681	5725	9831	9738	11004	10718	7445	11220	25254	8563	7859	5991	2501	4033	3636	4152	2740	6244	3805	7594	1869	12739	4142	7210	4490	8684	13167	15793	5377	0	0	0	9211	8231	0	5694	4320	9059	6363	6972	0	9074	3655	3083	11023	10147	9187	0	9410	7752	6058	3979	5229	3955	7243	10983	6844	9683	5316	4711	1847	4202	3785	0	2850	10490	11000	6645	6805	6175	4290	6748	4387	8053	5544	5776	14851	6776	22830	18437	12360	16959	0	10937	8066	4772	6022	5925	3442	2903	10251	0	9223	6750	0	7648	12663	Peptide	0.42857143	1.1428572	0.14285715
12	C14 H16 O6 N2 S1	341.08017	341.08072	0.22719997	341.08026	9251	7702	9795	6796	9245	4461	3753	3853	3526	4069	0	5706	5520	1778	4775	6396	12010	10242	6739	2425	4979	22159	4665	12145	6011	1913	2735	0	5575	3670	3951	4059	8160	5803	8142	4592	7039	6301	11153	15832	16638	4054	0	0	0	10932	12121	0	9664	6823	3842	5803	5841	0	4945	3616	2800	11968	4403	8281	0	11168	4718	3286	3273	7193	3568	8146	0	5810	7148	4183	3469	3511	5323	3201	0	6040	11652	0	7571	5439	4527	4562	3154	5249	14088	7291	5310	20666	8576	20792	20185	8693	10115	0	6551	7874	5253	2923	4131	5967	6153	7926	0	10566	4673	0	9821	10663	Peptide	0.42857143	1.1428572	0.14285715
6	C15 H16 O9	341.0867	341.0873	0.11050613	341.08673	42975	44686	38172	46570	72254	34599	13322	21209	106371	78593	71015	26194	283486	27463	22401	27712	28655	101317	105608	42172	73307	45778	32160	26275	7396	8870	13666	21568	13727	17096	18282	18238	29367	19429	72189	14084	32887	23039	36340	24337	50165	40998	851	295	636	22142	32968	405	24051	22391	43582	46840	52347	513	105167	110023	43140	25150	20082	27802	26198	21202	168546	110867	39155	99233	45758	36431	34289	20758	43161	18099	16411	14305	14642	15807	394	18515	37073	17508	28631	11744	9893	8060	106700	40293	34883	45286	43786	30799	6176	22253	27940	55217	44670	501	41360	45262	69865	135209	133688	33654	18218	24591	16872	22991	87286	0	9232	164482	Phytochemical	0.6	1.0666667	0.0
8	C15 H16 O9	341.0867	341.08725	0.13831009	341.08676	132284	135935	99485	136271	202133	107431	39001	49179	278983	239291	231975	70768	398717	69277	61433	68697	88626	253309	282302	151374	238323	183242	94487	67539	16680	24209	46052	80197	41958	42511	45568	53236	76125	51366	307299	42631	84771	57918	81336	96804	429242	100749	2825	357	691	61596	130677	628	57545	51395	136390	138215	151850	937	341885	530742	110167	61088	61312	84796	73794	104154	444955	340709	93923	515048	107179	89042	111318	62327	155674	44784	46999	33164	55725	45415	414	50725	108349	104795	76629	44648	31338	38166	245386	101149	83629	106645	120982	79575	37579	83592	69388	229165	177896	847	133174	135137	230522	342381	288185	88480	54296	80639	57012	60571	219200	458	29425	867930	Phytochemical	0.6	1.0666667	0.0
16	C15 H16 O9	341.0867	341.0872	0.104584865	341.08673	93889	84370	89999	106723	153800	135315	36884	47554	228669	72599	59484	57685	329522	83495	72805	52307	43112	284112	220664	82422	88336	99496	88358	50119	29485	16225	30959	31761	44053	36424	43400	50784	90469	49805	124144	45068	91920	62118	52155	66984	78280	76953	4292	1315	1941	57728	73168	2051	53065	53457	93149	96205	129981	1347	270471	144677	81888	63798	63621	42266	50148	75616	306713	243464	61732	204057	103123	46371	71739	46143	82439	55727	51228	34634	42410	48977	1757	55146	86229	55212	59852	48510	26080	19401	151830	74481	73979	71146	94207	58788	40733	68333	52317	80329	64702	2384	97664	83545	120906	116464	124047	67242	57204	36702	45833	64456	110582	1604	39021	369997	Phytochemical	0.6	1.0666667	0.0
20	C15 H16 O9	341.0867	341.0872	0.196702	341.08676	10285	13673	13366	12947	28254	23334	6389	8975	28961	11311	3183	7574	41458	14673	18158	5432	7731	28942	24111	9444	11586	9934	16687	7758	5768	3367	5430	2712	5668	7059	6521	8246	14887	7102	7046	5280	10895	10243	8072	7946	7870	8890	1715	1257	1404	13538	10541	2153	10239	6897	12205	15227	19302	1270	30751	19039	15684	6833	8146	7189	9287	6310	35684	29668	11159	29070	11283	8527	1807	7001	4689	10185	6738	6033	6410	7557	1481	12024	14947	6152	11298	11608	6681	0	32739	12298	12983	11925	13288	7212	6719	0	6760	9108	8314	1683	16049	14266	19447	19892	27332	11568	8205	9343	8422	10801	12690	1465	5275	43795	Phytochemical	0.6	1.0666667	0.0
10	C15 H16 O9	341.0867	341.08725	0.14417863	341.08676	238794	221651	209644	200365	381862	224210	76655	92072	541855	394854	316498	116411	1474156	154588	103221	113303	122419	573128	526918	278593	419541	314039	155309	103863	36418	55999	73359	115109	78198	74465	74566	92848	169619	80142	481312	83396	159736	105577	113891	201976	283795	175980	6976	1259	1089	115126	177647	1325	95101	82243	246794	215914	282471	1658	702538	868852	173963	119222	124300	138497	114145	189366	708704	639799	160990	503288	195688	128178	207682	135812	249631	87010	92698	59963	89775	77029	1041	88837	165558	165404	134530	90942	55995	60363	406958	177938	144531	191622	197141	97542	70645	140366	119619	357831	306336	1636	223375	223677	375504	440245	395974	183698	99206	131123	124696	102729	353218	1364	51733	828405	Phytochemical	0.6	1.0666667	0.0
18	C15 H16 O9	341.0867	341.08716	0.114794366	341.08676	42526	31643	34782	30061	59096	48976	17030	24727	69553	25901	22123	29689	116377	35214	37702	15854	21572	102439	95854	26533	35081	39747	38813	19692	12812	5901	14508	10821	24820	18881	24976	22260	39010	26303	37532	20604	38163	30713	24990	26293	32336	33800	4478	1219	1839	29354	33099	1710	23361	19439	31193	36889	47808	1711	125621	50655	34319	22381	25555	21039	20792	34177	113485	94759	30924	80188	41944	15456	21532	17287	26483	25802	15821	12587	17954	17969	1456	29676	38993	19122	35411	23604	9284	10666	61290	41143	30696	31473	43490	18902	15419	25837	29352	30522	22322	2442	37802	36836	47807	57801	55519	36282	22502	19286	20498	26632	39494	1195	16300	123596	Phytochemical	0.6	1.0666667	0.0
8	C14 H16 O8 N2	341.09793	341.0985	0.13726105	341.098	70333	78437	59163	78738	66190	49107	29010	58419	89491	51687	55523	74290	104595	18498	54232	74785	94084	105678	119868	49803	80299	107038	77454	74315	20014	2263	33529	13953	47785	39665	51562	56920	83419	51501	79742	45658	75991	52766	88103	54333	104213	76415	594	0	0	40545	78804	0	66068	54686	74082	69599	68985	0	125226	57016	52637	61129	47376	64062	82240	50944	140516	123505	53505	94061	78813	105208	18288	11495	24786	50243	46038	37654	59038	46889	0	45283	55032	31269	40914	26217	21485	15360	59974	33653	60057	97833	96351	122043	19859	50627	132281	60455	40819	0	82579	76089	60693	63812	53699	86163	57921	57083	41932	89086	56558	0	33095	190048	Peptide	0.5714286	1.1428572	0.14285715
10	C14 H16 O8 N2	341.09793	341.09845	0.11025936	341.098	65621	60532	65968	54997	57822	45994	26254	51381	77309	40534	52864	64965	92119	21659	47241	61702	78809	98953	107544	32459	56933	98672	77878	51682	21522	0	32140	26416	39753	33965	44889	42991	82961	42857	62179	37669	77925	46812	76904	45586	71779	66171	974	0	0	35766	45118	0	52112	44398	61805	57100	61218	0	109760	53218	38385	63052	51384	53457	51119	41509	99731	115075	45226	80622	68354	95522	21891	11116	21753	45430	46756	30971	51770	39616	0	45531	59081	24757	41142	22405	20982	11368	54316	28429	50098	80067	71631	106174	22408	45194	121113	49330	27797	0	64389	64085	46225	44853	41119	74328	57303	40547	29538	83342	40693	0	32995	163412	Peptide	0.5714286	1.1428572	0.14285715
4	C14 H16 O8 N2	341.09793	341.09857	0.04717445	341.09796	16986	18120	13174	15689	15199	7815	4490	20965	18983	7383	12759	13404	23393	6004	7415	21371	15216	19133	25378	8646	12599	33317	16428	26313	4005	634	5465	0	10576	8754	13712	12344	16811	9686	12748	11752	15329	9454	17322	7010	15311	16671	0	0	0	10095	11240	0	14643	16334	15815	15302	15326	0	24008	18097	9776	20308	7349	11203	25799	6776	34948	23795	16373	20824	14236	20453	2634	2084	3128	15887	10058	10853	5499	10899	0	9000	8952	0	7497	3859	3887	2723	24022	11428	8072	22030	19195	21625	2534	4073	43518	8433	6176	0	13492	16707	16074	22288	18751	17933	12739	14009	5662	29428	11445	0	6137	40902	Peptide	0.5714286	1.1428572	0.14285715
12	C14 H16 O8 N2	341.09793	341.09848	0.123390555	341.098	64153	82099	75820	75234	55980	46433	43109	66374	80190	83732	78834	53727	76748	30583	52491	69720	76176	82901	103215	77405	84502	121967	79848	70076	36272	73682	33119	35871	45909	48914	58264	55909	81023	48082	103715	46983	59760	55520	82019	68329	98628	57585	1383	474	717	63933	75751	1347	56037	54277	77169	86605	62797	824	88998	45608	49041	75116	50796	54353	58621	58284	117118	78710	37459	79678	55326	88846	81176	95345	132715	50261	52558	42094	63223	52880	460	48146	69403	35159	65650	52575	35999	40992	61666	34097	70106	59967	59457	111444	51230	73062	113262	71788	71825	1098	83034	89653	56852	53748	52818	74353	53493	47196	30207	84138	46665	559	54608	119216	Peptide	0.5714286	1.1428572	0.14285715
2	C14 H16 O8 N2	341.09793	341.0986	0.051181972	341.09796	5450	4036	3354	2986	9155	0	1778	4310	10085	1796	3484	4935	20623	3229	4090	722	3356	10873	11686	1212	5444	7111	4955	2846	487	0	0	0	4541	2177	4724	2706	7606	2793	4162	3626	4233	2604	3274	2858	4202	5355	620	447	702	3011	2987	792	3415	2729	4148	5116	8308	393	10672	6748	3873	5047	1904	2428	903	1157	22013	13050	3891	15295	7220	4550	1039	1064	1351	2854	4577	1856	371	4450	751	2960	2732	0	3426	1100	1345	699	6629	3590	3406	9365	5771	5231	2216	1344	6975	2806	702	1913	3686	3917	5058	8138	6823	4358	4191	2177	2045	6800	5295	380	2646	24558	Peptide	0.5714286	1.1428572	0.14285715
14	C14 H16 O8 N2	341.09793	341.09848	0.18647237	341.098	25064	19436	23033	27276	20388	23823	16929	21282	26664	6401	10193	25741	28234	7592	23946	24808	49515	33594	33553	4139	13986	32146	26531	27215	8320	1438	16056	0	13222	14663	17519	18890	36664	18292	13775	21132	31449	21459	47798	8083	14007	26502	0	0	0	8122	10891	0	13649	19977	22895	19283	23523	277	29555	13746	21310	31288	14220	17303	28313	8924	30506	33506	18091	34760	24375	54187	0	0	4699	14148	11476	12394	25360	13910	0	21272	34331	0	22403	2228	9325	1769	16934	11927	30278	45337	36286	57636	12609	18888	55401	13715	7422	0	23011	21331	14553	14566	15629	31519	21359	10622	0	36598	16106	0	16502	41018	Peptide	0.5714286	1.1428572	0.14285715
6	C14 H16 O8 N2	341.09793	341.09854	0.096287906	341.09796	49394	51841	42975	54414	45804	29733	20784	47023	65250	31363	45510	45519	73170	12573	34205	55688	60929	84103	85426	31626	56031	66784	46290	57979	13329	1645	19934	9214	34600	35066	43706	37910	63701	35514	40726	35864	54962	31969	67368	34188	65246	55490	0	0	0	27175	48895	0	44895	42474	54041	52441	50049	0	80346	44006	34845	43191	28912	47926	55067	31448	110724	84057	35139	68145	53124	79460	10346	8930	12776	38356	31909	30169	34134	32787	0	28227	33710	19025	25745	17450	15824	9297	51046	34285	31301	78518	62644	85275	13357	28364	101321	34727	24756	0	53032	47883	33546	49165	53641	66579	40777	38022	25750	64977	39295	0	22887	138157	Peptide	0.5714286	1.1428572	0.14285715
16	C14 H16 O8 N2	341.09793	341.09842	0.26876462	341.09802	7647	8247	7055	4039	9227	7171	6234	7755	9291	1978	2277	9018	10202	2899	7968	7862	12794	17965	17967	2344	3516	14055	10193	9536	5299	1704	7150	0	7093	4171	8934	4156	16573	3825	5794	3621	11584	9040	16467	1874	6171	8896	0	0	0	0	3093	0	8939	5679	9844	8536	8377	0	10670	4893	10391	10423	4941	3620	6474	3211	13663	11219	6612	12911	10971	11403	0	5205	2257	4680	4291	0	9344	3869	0	5980	17246	6111	10290	2085	1599	3903	6874	5821	15559	14282	11141	33525	5082	8825	0	6841	0	0	10024	6745	4817	4813	5365	9823	6641	3720	0	13785	7100	0	6651	18949	Peptide	0.5714286	1.1428572	0.14285715
14	C19 H16 O6	341.10196	341.1025	0.20031519	341.10202	70654	70839	61309	69923	52066	44852	33888	41022	62700	139595	99483	34899	66763	31262	39035	46076	36650	67151	69241	123755	127740	89342	49425	64150	52259	181902	38840	97331	35286	40613	35993	50532	48861	40122	155120	34181	46198	36111	40334	96198	104016	34134	0	627	1050	69713	79263	1524	42162	41165	62635	73938	49796	1017	48565	46869	35258	67684	40231	43428	36553	53261	71446	53059	32087	60437	40419	40210	168838	193553	232002	42733	37050	33860	35108	48235	949	36894	68655	51990	55796	63191	39963	63550	63974	37880	62494	38657	44435	74940	59304	43308	79092	65561	88996	1710	63588	65327	56643	57924	54144	47183	39663	56615	49095	54826	45044	993	44582	56437	Phytochemical	0.31578946	0.84210527	0.0
22	C19 H16 O6	341.10196	341.1024	0.093188174	341.102	54836	60153	39466	47918	72617	33353	16972	25278	56600	114010	109868	18317	66777	45994	26182	29499	21525	68939	57191	85885	94614	85088	35074	33922	31720	149781	16326	95322	23567	18940	21393	15043	27118	16618	126135	15560	32757	21509	21617	86332	92501	26224	3291	0	1805	56350	76268	0	18373	20416	50510	46687	43560	2376	60361	52641	27469	26572	20440	23091	35140	61542	71721	46620	25632	63381	42459	21808	148300	170157	222704	19993	16281	10243	10201	17319	1792	16446	48581	64753	40936	53293	22194	68565	71862	41333	42809	32661	37882	27982	34087	44959	43328	95178	108866	3533	48415	48596	48135	70718	59225	26044	20751	31933	47356	31259	44259	0	27453	71047	Phytochemical	0.31578946	0.84210527	0.0
20	C19 H16 O6	341.10196	341.1024	0.09304309	341.102	114081	103232	101173	82066	100626	69297	30436	49623	104847	255043	194294	30479	125522	72896	48502	54872	33198	121078	136772	210786	199168	157904	60812	66135	50858	327165	34735	162336	41027	34068	34861	34966	59143	36005	289926	28953	58726	44138	35332	166519	163644	56717	6764	2552	2200	108060	121943	4355	46436	27856	99910	96095	78492	4134	83532	80888	54717	59478	46957	45856	56058	109066	121912	80556	47820	109326	71450	40503	274571	298386	381016	39743	32932	23726	35451	36679	1581	31418	89169	142044	70739	80884	49004	116358	108832	63813	76169	66253	66038	67294	81458	87562	75990	169617	167584	7021	95298	98963	90386	94440	97798	50466	33194	69883	75235	56721	82414	2417	50871	132206	Phytochemical	0.31578946	0.84210527	0.0
28	C19 H16 O6	341.10196	341.10236	0.05236721	341.102	7528	7273	6700	5593	7975	4520	1663	0	6959	12194	7067	1239	9391	4508	2152	4211	15789	8532	9902	11406	12242	11361	3777	5305	3705	10813	2707	6406	2537	0	2817	2330	2234	1342	13639	2675	1438	2384	17080	5797	10472	3442	0	0	0	5897	8353	0	1530	2516	5284	4865	5416	0	7694	5522	3756	5404	2483	3242	2930	4014	9540	5114	2786	8587	3902	13415	15702	17676	21803	2576	1866	0	2227	2990	0	1347	7474	11626	4965	5206	2744	4915	9150	3341	4863	3919	4465	9024	3461	7012	5846	12668	13556	0	7967	5190	4921	8376	8711	3118	1672	4672	3522	3836	4242	0	2965	11201	Phytochemical	0.31578946	0.84210527	0.0
10	C19 H16 O6	341.10196	341.10248	0.0866477	341.102	21767	20489	13653	16150	11003	9875	9921	15113	13180	26851	19374	11341	12132	7711	8596	15835	12776	12598	16999	27323	24471	25813	13841	20988	10135	37610	13312	15465	14482	10772	14297	17642	13340	10690	37470	14794	10933	9654	14905	21671	24601	8086	1201	836	806	18197	23006	728	13340	11990	17161	20897	9987	677	14590	9467	7724	22136	9731	14673	19017	12281	12740	9918	7041	15756	9070	18425	32879	40320	51123	15378	13490	8368	10984	14898	809	9300	21316	9650	19528	16845	14467	11008	16323	7305	20222	9795	9518	21982	6710	11404	24201	16998	17715	1261	14310	14431	11875	14927	13882	9976	11029	13623	0	14267	11547	935	13865	10708	Phytochemical	0.31578946	0.84210527	0.0
16	C19 H16 O6	341.10196	341.10245	0.15204687	341.10202	86768	105465	94089	111973	92394	59036	43717	62751	93773	246429	180863	44465	115440	60914	56808	65044	44636	114019	134171	202893	207620	157627	64626	73143	45624	307080	41032	124480	46790	45362	45403	58082	64881	40096	247260	38885	64697	49184	62190	140070	142399	57912	3500	1219	1470	98086	112027	2212	59310	44579	93152	99281	65468	1322	85125	73101	53852	88673	52474	50316	75169	93433	119072	83892	42813	103715	64090	52431	276412	352399	426608	50806	48993	36477	45152	51611	1444	36533	99485	108555	76898	104725	49369	108639	103662	55018	88480	60431	59356	98090	93705	83247	95034	125315	155989	3002	106051	92278	84863	83282	82146	59046	39199	66553	64159	57952	74759	1029	59642	109850	Phytochemical	0.31578946	0.84210527	0.0
26	C19 H16 O6	341.10196	341.1023	0.05193672	341.102	8112	10372	9121	9591	13134	3474	1627	0	10919	19342	14107	5762	20635	8376	0	6753	5705	14986	14608	15137	18227	18572	6764	8308	0	19782	1730	10743	0	0	2959	0	4792	3321	25130	0	5368	2797	3453	12017	18793	0	0	0	0	10011	14341	0	2576	0	9920	10088	7807	0	11109	10715	4238	5712	0	4040	7334	9603	17235	8395	3757	10675	5233	5677	31828	30531	41487	2980	0	0	0	2356	0	3441	12005	18284	9116	10541	4674	7753	16200	0	5152	6254	7825	5825	4252	3969	5578	22890	24885	0	10961	12204	12112	17447	12407	0	2820	0	6723	5839	6710	0	4181	16634	Phytochemical	0.31578946	0.84210527	0.0
24	C19 H16 O6	341.10196	341.10236	0.08800018	341.102	21044	22806	18102	24717	24741	15086	5134	10472	18384	42227	35814	7535	35888	13368	9561	7390	9040	31909	37369	31163	37832	41163	16231	13035	8431	73129	4858	26985	8303	5701	7539	5128	10595	6738	53045	5703	7171	6967	12088	30047	40929	8300	3141	0	0	26407	31022	2005	6818	7038	18176	20886	15308	0	23707	26527	15661	12864	7333	9305	12473	20294	34991	21719	12086	28754	19002	11775	73709	53445	87906	5759	5095	4576	5960	4503	0	6796	24901	29709	19897	22637	7996	26091	36338	19018	19604	11764	17055	12090	9719	15483	12387	47579	43419	2476	21935	27325	19159	27439	24083	8454	8517	10862	14776	9131	18837	0	11052	30836	Phytochemical	0.31578946	0.84210527	0.0
18	C19 H16 O6	341.10196	341.10242	0.12270058	341.10202	136199	131700	110386	125518	124226	81082	52748	71052	115605	330785	236708	43693	145843	85442	73951	100361	69419	146650	161547	247482	258395	192278	98034	99684	60272	422005	49184	194119	49882	49612	57386	43263	99939	50084	335302	41833	77139	60573	67429	188389	190323	64785	5444	1096	1855	125385	125004	3360	65522	54890	121970	130081	91778	1714	113626	88262	74587	99376	58461	61947	90799	138955	153615	106510	66223	130027	90822	63276	345588	393838	509976	58488	49496	34719	47043	60051	1178	52952	120942	157197	108683	112750	56560	139560	138601	87614	111520	90499	85438	111209	109050	111906	126838	168612	238844	3465	124484	122528	118913	113096	123521	70606	48903	77506	79054	80677	86617	1740	79014	144634	Phytochemical	0.31578946	0.84210527	0.0
18	C16 H20 O6 S1	341.10535	341.1058	0.27758938	341.10544	32764	33973	29225	29832	19632	24253	11680	7022	20855	95522	47460	9842	44847	9976	8629	14760	8555	41289	34120	105024	75137	66908	9014	31068	18222	53830	20254	48887	12052	15006	11022	13688	28850	6803	93909	6412	18372	9690	13494	85516	46622	12682	591	0	0	30950	27403	0	8579	2862	35275	32679	22751	305	22205	17413	12884	36344	32147	26753	13919	63156	27083	36844	10934	28039	22436	13618	49131	82221	67136	15200	4055	5332	8880	7300	0	6213	12102	44896	14554	27703	24806	44602	19894	15486	22293	16642	33826	26546	98233	129589	24839	57041	106403	0	34948	31284	21034	20392	21631	11544	14760	32833	26819	15406	17871	0	20118	30422	Organosulfur	0.375	1.25	0.0
20	C16 H20 O6 S1	341.10535	341.10577	0.12682392	341.10538	20392	17937	20406	17906	20484	21413	6121	3463	22615	73881	29393	4302	27472	10747	9629	11583	8425	29075	20829	56078	46964	53756	7243	8576	12245	30640	4886	25796	5896	2870	7928	7371	11317	8403	71145	6282	16602	7286	10001	52182	28006	13490	642	0	0	18067	11182	0	6244	4176	20214	20440	16353	0	17539	14511	9120	11770	25821	11140	7359	42735	8906	15068	9017	18738	12558	8502	26070	45283	33131	4721	5594	4191	4941	4500	0	4703	8281	27640	4631	15181	15758	30312	14961	11313	12168	12810	15120	7865	61546	73055	17074	37172	68648	0	21871	20453	18992	12885	17262	13331	3559	29980	15960	8126	20973	0	6326	21770	Organosulfur	0.375	1.25	0.0
8	C18 H16 O5 N2	341.1132	341.1138	0.25203925	341.11328	6648	12055	7868	12051	6286	4354	3446	6746	8416	28041	20739	5231	6351	4561	5191	7807	7614	7371	10738	19399	31952	20320	6230	8460	4448	32918	4408	15298	4530	6256	3796	4627	8628	5409	26292	2656	7348	4596	9981	22748	30689	6274	0	0	0	16451	24554	0	7422	6454	10792	15326	6108	0	7035	5065	3537	10717	1126	9327	4947	14054	8957	7993	4756	8381	6034	10840	38346	49631	62771	4525	3503	1918	4640	4208	0	2539	9741	16120	6973	8099	4066	14350	6186	4812	11215	6825	7847	20717	0	12421	12352	18854	26944	0	9710	9531	5925	8564	6166	7487	3231	7507	0	9502	6054	0	7729	7817	Phytochemical	0.2777778	0.8888889	0.11111111
6	C18 H16 O5 N2	341.1132	341.11383	0.23201199	341.11328	6632	5293	5773	4341	4532	3689	2623	4113	4619	16522	11723	2578	5474	3118	1806	5789	3225	4356	5635	16668	21300	10917	3323	4679	1223	18977	2127	12650	2952	2576	3441	1375	4640	1713	18457	1910	2804	2680	4754	10908	17268	2255	0	0	0	9145	12603	0	3798	2450	5238	7494	3551	0	4664	3859	3396	5339	1360	3141	3215	8695	4598	3672	1378	5584	2706	3796	20339	25184	40127	1741	0	1061	2855	2250	0	2060	3388	7309	3803	5280	1757	7478	4276	2739	3826	2795	3338	10569	0	4034	6650	10582	14192	0	5847	2918	4170	4825	4014	4689	2059	3563	0	4419	2052	0	4539	5352	Phytochemical	0.2777778	0.8888889	0.11111111
12	C16 H20 O8	341.1231	341.1236	0.073720545	341.1231	1927838	2160062	2128560	2121370	1834338	747985	1246554	1733634	2614174	3454154	1032941	1060626	2472558	868352	749434	1834814	1289712	3186894	3279458	3537842	3526474	2448276	1816194	1688138	1010642	983006	1107962	851343	1747462	1457524	731061	1658942	2248738	1547578	4580002	764960	1968908	1416326	763117	2541176	2133628	738573	21740	5460	4991	1670184	743905	5108	1829892	1461574	1020962	2042644	1857204	5871	4180760	1880028	1176904	1756854	892969	706172	986284	1851114	3188108	2765604	442169	2401748	806438	1353404	1242446	3323560	1568101	767400	752141	1486452	670016	770671	3115	1285596	1643288	630942	787030	1282324	1319338	1439832	1814136	1235248	1688704	591561	774664	1461544	1520264	2119744	1745366	1634768	2070660	10211	2161528	1134918	1788378	804495	792799	1919214	1186106	1908802	564540	1459592	1788660	4983	1084428	3288658	Phytochemical	0.5	1.25	0.0
8	C16 H20 O8	341.1231	341.1237	0.08685768	341.12314	276052	281838	204712	537080	361496	149592	322544	545116	272771	656928	451148	194684	580674	92671	453206	293235	480710	295173	344351	708204	688002	301293	495788	290488	230774	178342	333122	157227	226799	213837	421960	472276	253059	416906	828116	215673	501492	202098	290731	514194	290336	380124	7539	2113	2881	254564	549146	2132	504774	504516	504968	275204	187126	3442	880576	470520	152574	485960	482790	252638	296092	367762	325820	325609	250272	495640	356750	507402	270103	268138	731220	430206	216781	417948	341520	256363	2136	365798	288358	263688	253600	176123	194651	274018	478358	158367	467618	157862	189743	528668	152836	483274	598436	208607	473758	4104	532636	267881	409442	262223	502086	263287	380002	597112	131907	209003	439788	1772	166418	332549	Phytochemical	0.5	1.25	0.0
6	C16 H20 O8	341.1231	341.12363	0.08736154	341.12314	164796	172204	150068	162654	100306	89434	107608	96322	169718	105728	146900	65695	157726	33579	66945	101884	80314	95696	210232	92380	114483	187662	169272	215858	34182	39536	50241	47897	74497	167262	85618	76552	188224	127370	111502	81525	83719	136086	217860	59683	94929	63235	3430	1703	2473	162902	105426	1795	197632	88549	91471	168070	59049	2247	222230	149136	101372	191512	83977	89363	101473	56157	102078	96688	48560	69977	66619	204446	73532	76757	104263	141572	74002	165352	90626	150590	2089	117248	160852	44131	72587	52658	60435	32121	181184	115366	162330	59732	131630	102987	41039	68403	108223	124790	72449	3040	84625	82533	113140	86392	96750	178986	64026	105647	62249	76050	140246	1621	104566	206324	Phytochemical	0.5	1.25	0.0
16	C16 H20 O8	341.1231	341.1236	0.07710209	341.1231	866545	902117	888204	903327	914864	884910	460400	739207	1368292	1445255	609127	921300	1726556	514674	742942	656493	816706	1737453	1663911	1507470	1268895	957881	754716	686027	497034	673859	370943	1038846	726472	604304	660945	739859	977271	650770	1732166	706993	976223	565349	937302	1214235	581773	634026	22280	6264	7916	660057	441106	6829	735115	617707	867301	843367	913474	6895	2149916	927584	556025	735394	789142	369901	690239	756819	1483239	1467483	398513	1179516	791658	798190	717409	1485310	941822	710382	658003	679854	853532	660860	6441	526752	662093	464940	515102	431903	497616	588193	851990	581554	590580	548301	704399	407125	701711	963604	779835	536962	835259	11549	837869	860134	745690	648495	677304	1728260	447611	740459	328081	599736	741837	6712	448678	1797699	Phytochemical	0.5	1.25	0.0
10	C16 H20 O8	341.1231	341.12372	0.062215354	341.1231	634569	587355	574742	1112216	498330	808708	721134	1093578	1367158	1852112	1045318	389329	1525066	474524	448210	605287	867582	831369	1695924	1919494	1879148	1325630	1048352	1227942	558738	560417	343778	426357	1023880	945758	894794	1031426	641139	877936	2135346	1008814	627242	427194	1060722	1330506	1251948	399336	16738	4191	5875	530582	957770	4254	1037372	959476	1221272	1214670	460534	5984	2166398	1064490	595540	630782	1186706	947448	637580	920872	1423032	1526738	265006	612735	801956	957718	718873	856519	1744538	491210	948158	897462	792642	481823	3370	392551	1224752	309679	515525	746390	812846	678254	1175524	363659	520642	376189	422275	901618	383015	1050328	1201202	932680	604912	8219	1199698	1264518	468126	1035230	493624	1145882	771396	672126	367234	917404	958852	3554	647724	870403	Phytochemical	0.5	1.25	0.0
22	C16 H20 O8	341.1231	341.1235	0.12432567	341.12314	29922	37007	26826	30753	37657	31966	19741	39242	41623	50129	22156	29349	47815	23009	37661	29115	24023	57051	42396	34205	42940	34504	42872	35056	29548	37310	14660	17166	34710	30282	32500	37147	40334	32929	38431	35350	44088	28883	22388	35683	28436	27593	6279	4290	5070	32467	26623	4394	37354	28261	34282	31025	29756	4109	64098	37212	22550	30250	32288	19302	30610	24169	48973	49320	20161	46082	27072	21829	33929	39557	44811	39408	34318	35452	19316	35064	4715	30834	40478	18186	31198	19494	20124	18739	42077	27140	36740	25856	30225	18080	25424	31948	32886	21236	22838	6797	35378	35517	28407	37822	34750	36590	29743	31808	22875	30754	26827	4948	25308	63183	Phytochemical	0.5	1.25	0.0
18	C16 H20 O8	341.1231	341.12354	0.094825186	341.12314	367997	328954	343946	321115	333029	321132	183794	329074	412586	466906	205622	179445	667063	196090	290008	259617	175888	635044	554051	449506	389231	351062	289811	304088	211227	225863	157062	171676	326038	250929	280243	277192	369765	274181	485374	265323	416982	230785	202283	371923	225286	227185	15545	4550	6728	250154	179090	5492	321075	247396	324199	331556	314961	4914	845289	338296	207751	310934	284424	155788	281793	265641	559687	523460	160580	455210	291175	188905	254867	421172	314342	274905	255515	262264	179126	279593	4637	227141	301673	163684	244813	167097	175453	175568	334217	240977	252965	211634	272522	174803	289328	381282	334367	163031	269396	7567	360615	319020	273165	244687	242332	316461	189897	288276	129201	230837	238866	5169	188276	616022	Phytochemical	0.5	1.25	0.0
18	C15 H20 O7 N2	341.13434	341.13477	0.16449772	341.13437	1370909	1289107	1142121	1094170	1034552	736416	676888	1042112	826248	1856637	1456944	664810	1079648	653678	804456	1197588	829388	1099106	1292947	2097195	1981909	1269788	881679	1229190	872965	4156135	654482	1309430	938122	874500	905945	1001455	1110274	919574	1745400	906880	1111692	733313	929962	1535619	1851691	730951	46011	12044	12712	1031953	1089118	18980	1054942	876765	1261939	1155664	805587	16700	929998	839491	665799	1226598	734502	802146	1072101	1100108	1079946	767049	529986	1091272	883634	929532	3184304	3879368	5169220	876372	749583	805776	760566	1037412	9884	669344	1191811	897094	1013621	872479	721939	1203399	1076960	730858	1113199	827038	825068	1254245	1107150	1119094	1770983	924936	1293785	25768	1259124	1097281	817460	953818	972511	1035480	697621	1057154	574652	1044719	703191	10908	907914	1050854	Peptide	0.46666667	1.3333334	0.13333334
16	C15 H20 O7 N2	341.13434	341.13483	0.1496746	341.13437	32487	26898	33542	28546	14611	17788	26489	42261	17768	13246	12947	32111	25588	6333	37852	47579	40526	24932	26855	10854	16695	40053	36553	44109	30653	10834	28324	8495	41309	41934	28822	36203	51122	41367	22573	39643	50629	31664	38993	16463	19894	21217	602	406	308	17436	16714	0	43225	34277	30272	26826	18685	742	20933	7605	21101	42153	29663	23840	37045	13389	13010	17014	12658	18229	19348	35458	7683	14213	8459	39309	40243	34450	35357	32396	387	27552	33785	17473	23666	15141	21725	9524	13240	17917	32520	24306	27246	39113	39358	50581	75192	15551	17865	0	26146	25406	9087	6574	7815	38768	23844	26386	9795	50297	12182	515	31313	26882	Peptide	0.46666667	1.3333334	0.13333334
6	C15 H20 O7 N2	341.13434	341.1349	0.017856503	341.13434	300536	312022	268244	289731	138018	134227	176245	369315	224398	217040	180311	265941	186271	52751	272949	360712	396107	267059	315757	233484	281723	372661	292497	385019	130579	18348	176856	89834	309764	287020	355496	337170	425124	296189	273346	306197	408000	260590	517340	193403	309707	214491	1763	0	0	252914	305245	0	379473	338135	320882	288223	184343	489	260997	107746	147098	332404	266415	337087	352685	168169	213831	181959	129983	196082	229610	530634	50714	65228	81534	315911	304561	293126	194359	278329	0	212090	197932	100846	195433	144181	179716	83392	132916	155646	199420	254152	272099	458205	154774	237373	524035	182788	203250	794	297432	276513	104189	109979	127056	436525	257283	361710	175612	378623	143265	0	169581	307519	Peptide	0.46666667	1.3333334	0.13333334
4	C15 H20 O7 N2	341.13434	341.13495	0.026067011	341.13434	98210	105749	94895	86791	51314	46764	43927	110181	75929	61347	60625	85966	85722	24097	70083	100909	169748	91876	95719	68913	85744	141353	88374	114441	36172	7080	52498	27139	81496	79733	93989	89461	115010	74658	99980	92168	117579	71843	202372	70523	111253	76020	1019	311	0	82169	120601	0	108906	95418	91201	80837	61130	377	98570	64903	54245	93632	90038	126354	109270	54880	100277	79690	55961	76832	64545	164897	20881	18815	25442	82190	79862	99573	45903	79796	0	63579	68289	36827	62247	49559	51792	24110	77687	53768	58813	90350	89917	134800	52474	72445	166561	62423	56366	833	85216	99683	52455	79743	77949	122942	72740	121522	59956	111930	63192	0	49974	126056	Peptide	0.46666667	1.3333334	0.13333334
14	C15 H20 O7 N2	341.13434	341.1348	0.034846444	341.13434	493598	465194	408602	459400	278138	253822	412270	541278	298076	445794	324080	387074	299146	179130	419520	504844	439110	370846	383950	504932	501500	546296	403908	566276	432176	578242	364696	298368	432354	432544	429072	533650	537694	418178	495912	485774	513912	389058	446322	428866	493340	278646	10788	3570	4788	392644	418500	5426	499778	446836	451076	427580	282046	4602	371746	211436	228304	593416	481586	419472	558818	325388	324098	303646	217010	313090	280414	463516	516206	613926	748812	437482	426342	402692	380370	468326	2952	354526	474412	270766	425324	313892	372514	283132	299710	210638	458478	306266	343422	634338	409296	496832	838926	291774	345750	8598	483844	385600	224128	275566	265648	507130	358924	553876	227590	531356	235646	4894	421286	307702	Peptide	0.46666667	1.3333334	0.13333334
2	C15 H20 O7 N2	341.13434	341.13498	0.07300641	341.13434	51485	46365	42042	45064	46119	47279	24194	55446	53761	29898	28988	46232	83639	19816	32555	12441	55375	72150	65961	30729	55564	71131	36688	45740	13465	2220	5565	14251	57847	29720	60523	45392	85949	45975	52279	44315	64549	29413	60320	34593	44212	48095	414	0	0	26726	32285	0	51437	33536	43445	50576	50926	0	60586	41258	25963	59438	29133	38850	17010	18754	96838	69713	28170	69616	55402	74693	7439	10924	12270	48964	51658	34247	7585	40190	0	31009	30557	11216	26299	16606	16934	9545	37725	25448	27102	64470	59504	75700	29541	42128	89933	30655	10362	0	49935	48431	28937	45879	41761	45283	38454	37941	18687	67749	34432	0	23955	109014	Peptide	0.46666667	1.3333334	0.13333334
0	C15 H20 O7 N2	341.13434	341.135	-0.016618786	341.1343	9819	7129	10204	8584	9604	10845	2278	11384	7050	4220	1786	5824	11601	4245	3851	0	4250	14876	11891	6157	8272	12188	6092	11168	2745	742	0	1162	13798	7495	11433	12563	17445	13834	7952	14497	16609	3509	6204	6007	3747	15288	0	0	0	6506	2671	0	17459	8503	7426	7862	11317	0	9945	7179	3148	16877	3720	3088	4387	1421	18179	12659	4152	13567	13164	7276	835	2053	0	10981	11530	10436	0	11721	0	4757	3517	912	2443	1027	2216	0	4685	3592	3585	7482	11166	5375	6678	7408	16952	2821	0	0	7597	9111	4310	4259	4181	11946	3139	9305	1654	16075	4175	0	2516	24250	Peptide	0.46666667	1.3333334	0.13333334
24	C20 H20 O5	341.13834	341.13873	0.0809735	341.13837	94175	90242	77992	87325	94562	63320	30860	60683	81928	173351	151433	39162	132627	64257	51039	69647	41757	102760	119037	161244	170375	108839	62794	82062	55031	305929	24009	150966	55601	42556	50637	51779	67797	49323	179281	48064	67301	38590	50207	131059	134891	56041	14497	3281	5881	100460	83736	6711	56196	52838	86644	84574	74884	6359	83397	80142	48538	66465	52990	40281	79424	99459	113622	72222	41688	106610	77954	46218	278924	253264	322339	57997	47574	38540	30134	45535	5170	43318	76709	89372	63878	69088	43431	105169	102656	49222	75026	56386	59791	63055	66282	72583	104735	91113	117324	9517	91241	95224	69812	97321	100960	59999	39967	75217	58434	65706	65234	3615	44468	104875	Phytochemical	0.25	1.0	0.0
22	C20 H20 O5	341.13834	341.13876	0.0825996	341.13837	217591	241736	194431	229611	200502	161628	83712	169107	193470	403918	396341	97914	205278	154921	126744	170598	116159	246648	217103	449885	445741	254530	145039	224409	189465	886055	84583	376047	145674	126337	129857	134698	169920	144338	452207	126152	176129	110286	112085	344048	355875	139932	21160	4994	5396	230108	228043	6857	153456	143987	223626	217974	170509	7990	175318	174710	128491	170337	121389	113239	178990	257868	212390	165926	94052	225465	174991	118732	730534	821489	958062	154052	113175	99021	74837	139397	4467	106130	182420	190290	158305	166836	112871	272159	200853	133802	180076	154750	164394	168097	184982	214115	342285	250537	274866	14469	202185	207908	153348	188635	210765	166603	97562	168808	150169	174063	164988	6432	135567	230489	Phytochemical	0.25	1.0	0.0
26	C20 H20 O5	341.13834	341.1388	0.11390155	341.1384	29382	26857	25574	25649	29301	16362	6916	21262	24341	36923	32581	11927	49161	22365	21039	25999	18058	29234	38431	46065	54299	30897	23733	32864	17335	76216	8655	36766	15085	17439	19127	17746	21286	15228	44227	23018	19814	13968	16678	38816	38158	18603	4641	0	0	24918	27576	0	19336	24066	26221	26869	26110	0	24693	27413	14216	23462	17107	14076	29229	24884	31613	21168	12314	38732	21169	17027	80770	72297	107510	18155	16426	13470	13273	20702	0	14371	25041	26215	22354	16409	19015	30548	34520	13478	29424	22739	19304	24271	19603	20746	34863	28393	30794	5456	25211	27686	19965	39078	37318	24830	13172	18826	14621	22871	21361	0	17796	30370	Phytochemical	0.25	1.0	0.0
20	C20 H20 O5	341.13834	341.13876	0.08406006	341.13837	334144	327534	316836	276540	295436	224472	148683	244192	254458	544724	463607	158687	315525	214978	206987	268305	176589	284816	365052	625452	648938	357508	213771	308061	226939	1329733	145297	424551	223473	199145	185465	199130	257827	214446	579347	185207	295766	174202	195726	498352	534425	208452	15597	6302	4283	290868	306182	7730	227031	205722	321632	328696	230481	6393	245642	238397	169581	285531	192223	194934	261832	304204	287287	220545	135316	305974	230098	209157	1063233	1206636	1554365	209534	205682	172139	158234	203727	3440	158994	294916	265115	217333	200588	192208	381624	282949	182844	279284	219294	218044	298620	301581	293233	486013	286367	318906	10043	306112	314628	237080	250296	285591	252071	165119	281066	191561	271471	206804	5335	210781	314012	Phytochemical	0.25	1.0	0.0
28	C20 H20 O5	341.13834	341.13876	0.08138073	341.13837	13749	12146	9011	11147	14029	6239	5396	10462	11490	14841	11394	5518	19581	9507	9358	10484	9562	14642	16595	17127	21968	13188	6094	11757	7280	28516	5958	14517	6919	8291	9412	6188	8846	7563	19091	9133	9250	6404	6226	12465	16535	7686	1781	1599	0	10441	9820	1676	10194	8708	10468	10880	9436	0	12775	11011	6326	11088	5292	5039	13206	8602	14690	10070	4244	15042	8055	9034	31528	31336	42639	8035	7065	5926	5525	6857	0	7390	9498	11578	10527	6310	7501	11627	11477	6496	11634	10499	9600	11018	9552	9173	18589	12569	13770	1541	11454	11320	8371	17171	13182	11194	5749	7590	8805	11281	9345	0	6165	11128	Phytochemical	0.25	1.0	0.0
6	C14 H20 O6 N4	341.14557	341.1461	-0.08864702	341.14554	7078	7820	8599	7328	5169	2728	4290	8863	6630	4944	3650	7095	4104	2748	8714	11079	10319	7209	7564	3606	5514	13565	11503	10594	5526	0	4328	10295	7680	6613	6759	8371	8294	9383	6187	7354	7796	8306	9562	3107	5563	4328	0	0	0	5698	5271	0	9103	8707	10248	6905	5264	0	6793	2459	4638	12488	7098	5192	10902	3835	6225	3826	4669	6267	4957	14327	0	0	0	7808	6176	5541	5838	7220	0	6151	7498	4900	4890	3331	3900	0	6128	3962	8424	6552	5609	22595	8615	9529	23417	3880	3178	0	7153	8737	2717	2211	3565	7520	6297	8075	0	11175	5211	0	6489	9068	Peptide	0.42857143	1.4285715	0.2857143
2	C14 H20 O6 N4	341.14557	341.14618	-0.039384253	341.14554	10350	12245	10793	11310	9152	0	5711	9778	11380	4287	5568	10116	15904	5466	10049	2061	17500	14013	15424	4008	7854	15043	11974	8194	4752	0	0	6633	8904	6514	11005	9220	16329	7501	7879	8801	12938	9011	17116	5238	9609	9097	0	0	0	4784	5229	0	10608	6771	9890	12473	10151	0	13950	6214	6960	14175	5934	8143	4619	3387	17782	13321	8483	14759	12192	24165	992	1654	1254	9263	10045	7328	1476	7043	0	6599	10490	6267	8787	4025	3645	1698	8611	6882	11526	13203	12171	30038	5825	14695	31585	7184	708	0	9288	10571	7450	6458	7039	12078	9311	5967	3929	17987	6754	0	8561	22393	Peptide	0.42857143	1.4285715	0.2857143
6	C19 H20 O4 N2	341.1496	341.15012	-0.017621372	341.14957	9570	8642	7567	8868	3153	3730	5990	9794	1735	20068	15091	4691	3137	4206	4756	11313	9354	3155	4620	22608	25948	6320	6685	12032	5911	30544	4746	14045	8151	6607	7616	7028	9635	8016	19385	7226	8840	5219	9418	15108	12429	3902	0	0	0	9721	13881	0	13096	9669	9609	7525	4496	0	4096	1923	2996	7988	0	5025	8612	7746	2356	2782	1871	2213	5621	10230	23780	33538	48348	10488	8824	6943	7104	8816	0	4461	6781	10974	6231	3932	3359	13339	1674	2408	7251	4961	3904	14098	10642	3528	11643	12878	18293	0	7995	10932	2498	2151	1771	8773	5909	7586	0	6364	1666	0	6741	3712	Phytochemical	0.21052632	1.0526316	0.10526316
12	C19 H20 O4 N2	341.1496	341.15018	0.3967772	341.14972	25286	30552	25888	20400	10260	11315	9624	20192	14630	43247	36210	17051	8611	6608	13149	29578	23640	11328	14885	44324	67218	15070	14104	29896	17869	88446	0	41906	20429	17582	19141	16831	16682	16344	37204	15927	26264	13223	30127	48870	52264	16501	0	0	0	35214	43706	0	17416	20933	13297	22656	14174	0	12085	10002	7921	19858	0	16590	0	19538	13295	10312	3612	10535	13313	25424	51810	94640	112462	14176	14850	14558	16479	15435	0	13645	15244	0	19964	14858	9758	44400	10471	6749	24487	14301	15678	47212	25346	4109	39790	22576	42126	0	20166	21944	0	11088	1492	21041	9480	16832	0	25354	8012	0	19292	12574	Phytochemical	0.21052632	1.0526316	0.10526316
18	C19 H20 O4 N2	341.1496	341.15005	0.38071528	341.14972	30801	30267	43248	31113	18069	23637	23487	26049	15369	48318	67980	17406	19692	18684	12003	39429	38937	23154	23649	52412	73716	49884	18039	72635	17037	97815	25686	63492	21120	15516	17884	28842	30696	0	39972	21558	64608	16602	41292	61830	109236	14346	0	0	0	38304	58092	0	28680	22803	29067	32472	25278	0	16827	9045	9039	42441	27648	33372	30948	37032	23061	24011	10017	21294	23380	50163	85596	73374	160935	26718	16863	18987	16848	32391	0	16068	23175	56226	27441	26529	24591	50934	16086	15300	30135	30907	28395	81897	70350	45310	78657	46308	51336	0	29658	39447	13453	12915	14118	36132	17910	32184	19701	45426	21810	0	34998	28368	Phytochemical	0.21052632	1.0526316	0.10526316
8	C19 H20 O4 N2	341.1496	341.15012	0.073099606	341.1496	19276	20841	16112	18597	5366	8143	9258	14662	7029	30395	20077	11922	6509	6525	9983	21200	17951	7735	13208	35640	31526	19497	11526	19891	13111	38606	10927	21731	15852	11996	13487	20083	17817	18004	27661	10899	18979	10798	20223	21183	22272	9493	0	0	0	19298	25022	0	19992	14033	15687	15304	8179	0	8476	5200	4742	16196	4268	9154	15451	12004	5373	5331	2485	8770	9789	24121	30904	44721	57768	14406	14050	10980	17272	11456	0	10500	14660	30196	11079	5751	6055	18584	5398	0	13698	11575	9703	36204	11924	0	32731	16987	27393	0	17116	15564	4356	6200	4035	14938	9446	12483	0	17842	2106	0	14700	5512	Phytochemical	0.21052632	1.0526316	0.10526316
22	C17 H24 O7	341.1595	341.15988	0.07655107	341.15952	113361	113028	102069	108762	92246	104268	78678	115500	134491	144637	57625	60588	140865	61232	108909	92572	61121	198906	132637	127767	97545	100265	102523	112000	97137	54223	55007	49418	146281	103606	114606	114131	155840	125870	147524	119600	171459	79004	69859	86108	50027	74872	9081	4106	6366	71543	51497	4378	123953	87759	97403	99754	94386	5880	217744	118049	67785	127680	96610	38113	121760	70060	155129	143677	53105	135937	88198	67320	49475	125260	71505	117812	94595	109109	66012	108142	5040	87016	91938	44840	78551	44506	82294	57560	105764	78463	91013	64356	97435	54058	135475	156062	125343	46619	75652	4633	97662	98891	66623	95157	90461	130223	72233	111396	50627	92395	76176	4992	64705	204116	Lipid	0.4117647	1.4117647	0.0
24	C17 H24 O7	341.1595	341.15988	0.078834705	341.15952	31668	37723	35601	33595	29557	29490	19673	37556	33635	38233	19667	17600	50744	21659	33356	34823	18686	56935	53454	36395	28930	31180	37382	39389	25232	16776	18934	16430	45193	31797	35276	33770	43502	39728	38478	36584	52365	22348	20388	30824	17455	21238	4479	2665	7316	30662	12788	2786	43998	26374	29991	32263	27880	5427	57382	32668	21411	48592	25768	11143	40529	21091	47100	39001	14464	42183	27131	20654	16091	36879	27662	35958	36021	35487	25104	34825	5770	25788	32869	10526	28022	14560	29954	17656	38399	20569	35957	19972	30469	20199	42758	41211	43068	12810	22691	4422	37291	34216	21912	33957	27040	37003	22858	31107	10264	31271	17386	3288	21218	51966	Lipid	0.4117647	1.4117647	0.0
20	C17 H24 O7	341.1595	341.15988	0.04211608	341.1595	418029	382260	415161	339482	386009	418586	269531	432475	536210	587829	190050	211958	737770	271472	416442	333433	165575	748045	757907	613634	456231	379305	346814	390579	341973	217213	222028	208848	498261	349086	381236	428274	539358	411809	614370	382137	640918	287759	179474	424930	173430	315049	16451	6935	4979	266239	133370	6596	432319	295563	396017	406057	398867	5945	940057	443558	258004	431812	411561	135810	382054	245088	603264	580831	176780	520338	382840	182021	176653	448694	238039	354232	391957	423789	223315	362844	4783	312340	299722	157387	240470	145361	313997	211516	336953	282479	277543	228870	357799	175075	471287	560300	473591	199618	281839	8785	410063	464286	310090	302230	339171	498031	247124	445683	179284	321182	291971	7489	236665	783868	Lipid	0.4117647	1.4117647	0.0
26	C17 H24 O7	341.1595	341.15988	0.07422995	341.15952	12175	14727	12994	13211	14836	13345	11863	18380	13187	15626	6867	9337	21420	8357	11693	18173	8609	16572	21381	16812	17272	11116	15609	17048	12070	5043	7753	8315	17411	18164	17528	19042	20191	16266	16932	21093	22679	11240	8090	12286	5962	11952	0	0	0	8404	0	0	16952	13837	15393	15336	12992	0	22944	14726	9053	18693	14185	4180	19502	7242	17668	16097	7228	13861	12576	10653	7631	15210	9607	15706	18528	14291	10580	14582	0	10781	10694	0	10842	6620	14522	8868	14488	0	13899	9615	12850	10028	19363	18414	19674	3330	10070	0	16227	14923	6511	12413	12077	18902	13799	17329	0	12684	8325	0	9902	17359	Lipid	0.4117647	1.4117647	0.0
8	C17 H24 O7	341.1595	341.15997	-0.023549976	341.1595	70053	76252	55446	75256	33710	31610	60558	90119	45951	51938	36982	55745	97114	45024	71279	96398	82249	105656	65766	79416	66613	90748	74059	98427	113042	42612	62264	59712	160284	80399	65719	79060	145778	57799	132350	78483	145854	61730	89438	102306	53241	42700	3513	1455	2829	81083	149498	1648	80517	86770	62918	78369	40314	2061	75547	97740	39719	82329	69381	71558	88187	38481	103728	51970	55962	84932	39101	85845	49107	50360	112640	62556	67938	77848	120094	161110	1800	59933	165440	36391	68942	57016	137464	35718	100220	35993	75691	68254	42611	85090	52871	136844	101111	99046	63981	3076	67847	73175	42923	55686	56490	83328	111778	99236	50226	68640	86628	1677	61494	96810	Lipid	0.4117647	1.4117647	0.0
16	C16 H24 O6 N2	341.17072	341.17114	0.014187417	341.17072	26675	25019	29041	26375	18026	25315	21455	31530	7881	14149	8231	17667	18455	12645	28778	36814	24080	30659	29542	24610	13671	42025	26971	43466	33418	3820	17626	11224	42676	33122	25937	34008	49775	30670	26502	38507	50722	21355	24399	25141	10918	19846	507	0	0	18986	19131	0	41146	29962	30201	22304	18793	0	21902	6595	12841	42484	23435	16188	41257	12324	14233	12869	9742	23775	21747	23423	4066	16578	9490	32314	29639	30384	25071	32156	0	23869	24785	13095	15020	13266	18915	8430	8670	13368	23259	22046	22080	50456	68030	57799	64571	8776	18039	0	24899	24494	8350	6928	9762	36804	16560	29817	7774	38831	11622	0	27317	21171	Lipid	0.375	1.5	0.125
24	C21 H24 O4	341.17474	341.1751	0.05796428	341.17474	317987	308912	283414	289953	290309	237129	132390	255713	221537	442830	462704	150936	308111	224877	197137	291016	216675	308507	411522	559692	555106	314271	199930	319234	208574	1086950	128231	462300	240472	241753	216633	255542	292841	249978	467630	262652	344045	149323	227761	450452	467310	219589	16882	5367	6212	268980	243879	6949	264376	212224	294951	281702	260620	9200	223453	199648	161162	290825	216555	173842	286142	323431	240463	196779	153173	317480	300252	232154	894438	831434	1003732	253921	224860	208018	164901	238000	7872	169056	249762	264000	185570	206601	203123	335852	239830	177704	265315	218196	256336	269783	293516	298290	389671	283235	359848	9847	296364	308213	204141	233618	241163	322578	150608	345448	188548	277194	194033	4566	203146	259395	Phytochemical	0.1904762	1.1428572	0.0
28	C21 H24 O4	341.17474	341.17514	0.058119893	341.17474	21681	18746	16385	17858	22428	10783	11685	20702	13052	19152	14409	11056	19513	14331	12868	18534	18651	16678	23534	22341	21744	18631	16907	23352	16968	41145	10484	20834	20660	22224	19015	19753	26898	18009	22392	18337	18958	10025	22068	16894	18157	17163	3804	2290	3064	16012	12234	1978	19779	16901	20399	18549	15516	4095	18039	16707	11464	20769	11853	10145	20842	11483	17441	15324	9045	22454	16520	16160	31183	34854	37567	14354	13860	16585	13654	17496	0	12951	20242	16161	14578	10759	13758	15967	18153	12508	24613	14085	14019	23079	19689	19886	26250	16459	14131	1924	19827	18476	11377	24659	25356	25720	13089	20634	10574	22803	11323	1937	12870	17614	Phytochemical	0.1904762	1.1428572	0.0
26	C21 H24 O4	341.17474	341.17517	0.10007608	341.17477	88290	86658	87354	87516	89761	79252	40456	93412	75511	95947	120266	52905	97766	64122	71235	91934	76338	99769	123385	156263	152240	97219	68059	109539	77771	239318	37315	122546	81833	79272	80037	73306	109190	71073	127633	95984	107828	61741	78842	109506	104447	88018	6265	0	0	75596	66403	4981	78812	76536	91457	86559	80080	0	79950	76732	59004	96737	62361	48952	102963	71452	89683	59621	45454	106275	116049	85360	230510	187702	224456	66041	67865	74636	57406	76340	0	57810	97449	80152	65228	58518	63001	95031	91904	59071	141288	70362	68113	91535	80747	76251	133728	78052	83589	5533	91754	103788	58297	84569	107609	123928	53874	91208	52987	75791	62046	0	85564	69518	Phytochemical	0.1904762	1.1428572	0.0
26	C18 H28 O4 S1	341.1781	341.17834	0.013832452	341.1781	3897	3248	2442	4664	7521	3150	1908	0	0	4625	4393	0	0	0	0	0	0	5450	0	6029	5354	8630	0	0	0	0	0	5457	0	0	0	0	2504	0	7782	0	3409	0	0	8125	3837	0	0	0	0	0	0	0	2135	0	3605	2314	4220	0	0	0	0	3209	9003	5005	0	6307	2749	0	0	7527	6523	0	0	3833	0	0	0	0	0	0	0	0	0	8295	0	6200	6951	5522	0	0	3460	2639	2598	3047	42903	37361	5529	8520	11148	0	2605	0	3335	5131	6075	0	0	8099	6174	1943	0	0	2922	4495	Organosulfur	0.22222222	1.5555556	0.0
28	C18 H28 O4 S1	341.1781	341.17847	0.14135966	341.17816	6162	6624	5650	4273	10659	5141	2874	0	36509	4848	3221	0	7503	8732	0	3847	2569	3628	2724	4833	7210	5520	0	0	0	4238	8365	7709	4614	0	1323	3342	3759	1329	6150	0	4411	1091	5251	8220	9904	6435	0	0	0	2752	5499	0	4259	0	5446	5496	4874	0	5984	0	4231	3346	1730	4922	8435	4637	31703	2034	6918	19833	21560	7634	2803	11332	6507	1316	0	0	0	1375	0	0	2229	9493	0	4917	6226	11308	2185	2977	2741	4195	6089	7606	21009	13593	5492	2751	5993	0	5768	7034	3790	0	4586	3272	0	13298	3025	4345	3209	0	7474	8093	Organosulfur	0.22222222	1.5555556	0.0
8	C14 H28 O9	341.1806	341.18127	-0.04904235	341.1806	4803	3272	4091	2199	0	1866	5481	3158	957	0	6672	2437	1325	0	1426	3538	2313	0	1148	0	1067	3111	1855	4777	2348	0	11063	43030	4071	2361	3044	5277	1813	3163	1770	3658	3010	2855	5113	0	17985	2475	1772	395	696	0	48013	372	3516	2289	2921	2710	0	843	0	0	818	4732	3486	28913	0	3769	5560	944	2141	2778	0	4173	63301	0	55031	2743	4295	2520	2928	3259	761	1614	2080	94618	1832	1704	2465	0	0	0	3627	1077	1356	13036	29605	10202	10575	17877	0	492	2658	0	0	0	0	4011	1524	0	48083	1538	0	310	3670	0	Unclassified	0.64285713	2.0	0.0
10	C14 H28 O9	341.1806	341.18106	-0.09588642	341.18057	232394	231653	189400	218506	69437	49392	38495	27165	22919	207208	521758	18386	51914	73764	17197	52432	19889	36738	19869	120633	73324	161533	15578	79613	16609	21281	180819	727802	22700	38645	18467	26127	28580	19880	41207	30669	21907	11921	18839	384425	248048	44059	139305	20105	25146	453646	445538	38014	35360	36023	203758	210918	28003	45538	17300	14998	26542	88859	746444	100139	1068511	402481	133962	25381	35106	126087	148378	36714	228285	175581	176074	30920	16807	26309	22521	25813	32936	9401	13681	932019	14946	55404	21533	22053	17997	32035	11393	69596	30872	33007	209211	124873	50477	252836	293241	21246	228285	215284	23499	16004	24370	27066	14659	252308	7298064	19934	25247	39902	14100	57344	Unclassified	0.64285713	2.0	0.0
4	C14 H28 O9	341.1806	341.18112	0.069928676	341.18063	5814	5834	4665	4323	2584	2645	2260	5511	4025	2273	0	3867	5014	13507	7434	8507	6931	3522	4577	3533	3016	7263	5240	8292	6214	0	3635	3387	4647	4191	5966	5451	6795	5064	3355	6588	5399	5490	8068	2279	1848	6910	0	0	0	3712	2585	0	6614	6905	5314	4658	2750	0	5723	2000	2333	7430	3621	1775	6253	1533	2610	1988	4198	3959	4846	6542	0	1409	0	5026	2676	4719	2884	3944	0	3504	5023	18783	4262	2852	3531	1040	1816	3065	6044	3274	3225	10986	21676	13467	14406	3432	2914	0	3907	4738	2811	1787	2222	6324	4285	4709	3417	7166	1825	0	5066	3795	Unclassified	0.64285713	2.0	0.0
8	C15 H24 O5 N4	341.18195	341.1823	-0.1839702	341.1819	4803	3272	4091	2199	0	1866	3008	3158	957	0	0	2437	1325	0	1426	3538	2313	0	1148	0	1067	3111	1855	4777	2348	0	0	21235	4071	1167	3044	5277	1813	3163	1770	3658	3010	2855	5113	0	0	1449	0	0	0	0	0	0	3516	2289	2921	2710	0	0	0	0	818	4732	0	0	0	0	0	944	2141	2778	0	4173	0	0	0	2743	4295	2520	2928	3259	0	1614	2080	0	1832	0	2465	0	0	0	3627	1077	1356	8635	29605	10202	10575	0	0	0	2658	0	0	0	0	4011	1524	0	0	1538	0	0	3670	0	Peptide	0.33333334	1.6	0.26666668
28	C23 H25 O1 Na1	341.1876	341.18784	0.23525326	341.18765	1014	0	0	0	0	0	0	0	0	0	0	0	0	25726	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2448	0	1101	0	0	0	0	0	0	0	1806	0	0	0	0	0	6028	0	0	1520	0	0	0	0	0	0	0	0	2703	0	0	0	0	0	0	11681	0	0	1160	0	1008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.04347826	1.0869565	0.0
10	C18 H28 O6	341.19586	341.19635	-0.058755565	341.19583	10177	8381	6819	8227	3084	2442	9403	10934	3858	2614	2760	4798	3282	3663	9237	21099	16685	3708	5662	4447	4465	7732	6237	10840	9569	2537	14577	0	8465	10068	7815	7821	9776	5690	3000	11425	7936	9231	20710	0	1662	5733	506	0	420	7907	4539	0	11533	10078	8792	6053	3729	396	6709	4126	3004	12960	4542	5968	12395	1352	4963	3718	3031	2827	2658	21032	0	0	2764	4863	8815	13860	16999	10625	0	6371	10023	0	6954	5682	7004	4697	8146	4834	13105	3235	5283	15894	11335	6664	10826	3876	5491	0	6758	6654	5541	7730	8819	11079	6591	4930	0	5633	3882	0	10596	5596	Lipid	0.33333334	1.5555556	0.0
26	C18 H28 O6	341.19586	341.1963	0.05814729	341.1959	12574	16735	13906	12724	13574	8689	55221	13609	8053	9762	6329	10054	19257	19095	10708	11784	6791	16156	17031	13417	9297	8821	8612	11132	7324	15962	59264	17414	17252	16224	10934	18390	19800	14117	7834	21140	17303	7527	12608	4529	6459	9255	0	0	0	5913	0	0	19281	8843	19851	14461	10690	0	16079	12119	7664	16567	9357	7244	14759	4310	14864	11610	13550	18278	14899	11100	0	8623	3946	12601	12996	12717	8812	15327	0	13408	7985	13197	5929	6846	69008	59447	8554	0	11313	11095	11008	8432	36796	30665	14177	4045	8250	0	16690	14356	6952	8639	8863	18878	10449	10505	13585	8982	6474	0	8874	11089	Lipid	0.33333334	1.5555556	0.0
6	C17 H28 O5 N2	341.2071	341.20764	-0.024361307	341.2071	16403	17432	16847	17671	8189	8720	11355	20392	9720	13947	5286	8345	8943	5518	16056	27062	12173	12102	17483	16816	17125	26814	13666	23472	38104	3432	10027	4947	24231	14443	15965	25606	26976	22014	19428	20872	25271	12830	16555	11436	6531	8098	0	0	0	14220	6810	0	23045	14354	17350	15790	10191	0	11397	2574	4430	31300	2237	2418	26266	5833	8995	7301	2536	10702	11350	16126	4878	11236	9025	17832	15249	16340	14484	14281	0	10884	12831	3961	8364	3161	4905	5409	3030	6077	15352	9559	12873	32190	56383	31990	46964	6863	11531	0	18548	16043	4161	3664	2882	25512	10261	23117	0	23866	3117	0	15790	11297	Lipid	0.29411766	1.6470588	0.11764706
12	C17 H28 O5 N2	341.2071	341.20752	-0.041977864	341.2071	3037	2168	4060	3679	1661	1823	2464	7032	1356	3445	2200	1757	1826	2231	2315	6487	5950	2417	3010	1606	3845	4119	2016	5227	4455	823	2441	0	4693	4952	2898	4907	5047	3046	2168	5464	8875	2972	5205	1515	0	2495	0	0	0	1725	0	0	3259	4117	3844	3301	1823	0	1865	1038	1013	6800	0	0	0	0	2071	1103	1677	2842	3168	8813	0	1400	1203	2044	4250	2801	2872	3611	0	1914	2888	0	2077	1574	0	2440	1518	2197	4938	2349	2026	15790	28371	18732	9873	0	2367	0	3706	3746	2127	1667	1024	3336	2597	3880	0	4323	2064	0	3788	4280	Lipid	0.29411766	1.6470588	0.11764706
16	C17 H28 O5 N2	341.2071	341.2075	0.061341707	341.20712	3270	4427	2607	2392	0	1415	3822	4378	1642	0	2220	2645	0	1514	3890	5785	5610	1750	0	0	0	3871	2884	4379	4269	0	3992	0	4688	6597	4566	4649	10020	4462	2003	6102	5798	3564	7617	1702	1542	3028	0	0	0	3075	2735	0	5777	3129	4041	4049	2342	0	0	1143	1420	8063	0	2889	0	0	2595	1100	1306	2331	5319	8325	0	0	0	6109	2148	4803	2706	4209	0	1379	1928	7783	1782	1975	1261	0	0	1968	4361	1635	3693	0	24314	15136	0	4393	1731	0	6325	4051	1968	0	1759	5180	2439	3748	0	0	2606	0	3839	2819	Lipid	0.29411766	1.6470588	0.11764706
8	C17 H28 O5 N2	341.2071	341.2076	-0.008600327	341.2071	11680	14465	11531	13057	7341	8083	7737	13356	5983	6919	1677	7123	9006	4682	9612	18203	6244	9028	11206	13041	9400	16532	8198	15975	21153	1316	5491	0	13107	8330	13106	15950	19827	13657	14159	15558	17914	8436	6766	6192	3643	5663	0	0	0	9004	3248	0	16102	7941	11333	11664	6946	0	8257	2138	2688	24941	2360	1163	18318	2507	7441	5326	1616	7355	6685	9110	0	5272	2731	11285	11454	9842	8029	11040	0	7809	9474	3058	5643	2238	3597	2630	4091	0	14618	6026	8173	25490	42867	24458	28716	5513	11892	0	14205	10581	3476	2383	1962	12167	5501	12356	0	15845	5379	0	10578	7957	Lipid	0.29411766	1.6470588	0.11764706
18	C17 H28 O5 N2	341.2071	341.2075	0.011370694	341.2071	7215	6675	6814	6350	2146	2570	8876	15207	0	3477	3827	8277	3105	1010	8127	19328	12837	4547	6052	4279	3737	10295	10544	18323	8330	0	9060	3298	15171	13826	10863	13010	13074	13463	4701	19969	15532	7159	17376	7421	11475	2902	0	0	0	11108	14672	0	19774	15603	11976	9856	2379	0	0	0	2918	19529	6750	14720	14798	6850	1716	2029	2517	4546	3123	18486	0	0	0	12455	13601	16437	15283	15027	0	9556	10073	18967	9788	5300	8116	5784	2172	3059	12973	8395	4294	13225	40770	27287	20529	6630	7970	0	9766	9890	1651	1534	1492	15798	6388	13941	5867	15805	2479	0	13386	1751	Lipid	0.29411766	1.6470588	0.11764706
4	C17 H28 O5 N2	341.2071	341.2077	-0.026909528	341.2071	12391	13222	14567	13312	7574	8315	6946	17804	6351	8064	2808	7036	9186	4704	11832	22262	13040	10428	14650	10588	12004	19109	8393	20482	16317	2929	7481	0	16381	9503	11649	15753	20659	14951	14771	15520	15318	9175	16548	8727	5202	6821	0	0	0	10296	7295	0	19743	12279	13358	11714	8481	0	12447	2289	3725	25172	3852	1528	19400	4596	8051	7845	3305	8949	8429	17133	2246	7603	4271	9451	11309	12327	13185	8538	0	9924	10392	5343	7495	3306	5312	5096	4913	5375	15219	6402	9233	25023	29020	25145	30891	7078	11670	0	12960	16438	5865	4460	5379	15642	7066	19439	3884	16292	5870	0	11447	9906	Lipid	0.29411766	1.6470588	0.11764706
2	C17 H28 O5 N2	341.2071	341.20773	-0.006320207	341.2071	8018	7305	7507	6456	3130	0	7120	9667	3084	4830	3006	5582	4011	2273	10688	11082	8644	5435	5672	7397	6671	12438	6369	9469	8192	1163	3908	1666	7974	7264	8142	8030	9567	5332	5544	7874	10485	6891	10783	5110	4636	0	0	0	0	4962	3717	0	8613	8285	7396	8074	4218	0	5146	1225	2088	13049	3017	1715	9572	2067	3432	4824	0	4431	5315	10851	1510	3944	3529	7554	7002	8664	6341	7499	0	6778	7386	2694	6290	1601	3455	2874	1983	2588	10051	3779	4686	25672	14874	15569	21159	4172	6440	0	8661	9706	1397	2112	1554	6709	4713	9046	3195	11276	2121	0	8052	3426	Lipid	0.29411766	1.6470588	0.11764706
28	C20 H29 O3 Na1	341.2087	341.20895	-0.016807925	341.2087	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1823	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6356	0	0	0	0	1589	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4198	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	77874	0	0	1333	0	0	0	Lipid	0.15	1.45	0.0
16	C20 H29 O3 Na1	341.2087	341.20908	-0.51882714	341.20853	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4988	4106	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6536	0	0	0	0	386	0	0	0	0	0	413	0	0	0	0	39312	0	0	3032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	365	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5029	36949	0	0	0	0	0	Lipid	0.15	1.45	0.0
26	C22 H28 O3	341.21112	341.21155	0.06705349	341.21115	189001	187427	178936	174046	165177	102568	120285	212748	119641	145730	258290	137855	132323	516200	149199	237151	245876	144401	242973	244931	224788	208672	119077	199663	184485	579679	119687	273443	224433	246515	195966	199171	237816	166449	220114	260744	217274	143981	244102	210977	223472	227380	4556	0	0	147134	132059	0	218261	196615	197922	195423	151018	0	140809	154297	115105	228867	132819	129433	210254	132363	103895	104383	471511	156241	205944	283617	460019	331837	397676	132796	169711	233563	191787	209968	0	148251	182597	275365	117958	135941	160950	182517	169048	127038	276441	147624	147225	261561	163930	177553	227873	287199	201611	0	201192	206482	161360	166511	189369	319901	120158	223897	121561	174230	176909	0	191653	108021	Phytochemical	0.13636364	1.2727273	0.0
28	C22 H28 O3	341.21112	341.2115	0.016006254	341.21112	32318	25563	26266	25677	28139	16769	21645	31406	24193	17926	27638	16934	20938	29175	21467	35818	31860	26198	40149	27594	25423	28224	20496	29102	33392	64910	25713	38711	35351	40586	28893	35100	36182	26532	25963	44181	33380	21966	33632	23213	27720	25824	3176	2292	0	19975	12870	2729	30469	31379	27884	26847	26778	0	24697	25245	17862	38590	23986	15414	31562	18307	17270	17930	31125	34152	34740	33387	54809	37755	41779	16827	24906	39881	24101	31218	0	20472	32871	36102	19411	17170	21987	26742	31011	19756	46365	19480	21088	38498	27791	31474	36070	38025	26490	1960	28691	27608	21819	39222	45339	45271	19669	31052	21013	34825	30023	2473	23594	17355	Phytochemical	0.13636364	1.2727273	0.0
16	C22 H28 O3	341.21112	341.21158	0.04412935	341.21115	14332	17616	26699	19122	8982	5953	24820	9463	9326	28581	30567	16382	4050	13175	12197	24350	53226	5696	10535	11581	8896	30194	15642	17228	16545	12461	23557	81698	15546	14946	11951	16147	18829	7200	9254	16020	13634	14959	44078	10744	36893	11618	3644	0	513	9137	23189	799	20440	16952	24278	23196	11235	566	9595	17623	10050	21636	57282	71557	134827	5754	9584	6368	11360	6443	9741	44541	73559	17114	15495	9540	7770	18484	27281	18435	0	10179	27069	85453	22258	9987	14341	10161	19172	15251	31431	7640	9966	67740	12760	10275	0	29040	10000	0	31619	13005	10034	25479	21653	22966	13145	46269	6051	14246	9787	484	22767	11071	Phytochemical	0.13636364	1.2727273	0.0
20	C22 H28 O3	341.21112	341.21152	0.017771728	341.21112	134290	123374	120136	115639	99292	73319	134130	122203	98780	103989	100615	104467	78653	93671	109583	168763	274845	82175	134622	122723	133020	100918	86087	120527	105903	235312	150430	106676	121883	128207	86885	117020	133294	82273	114978	116991	119560	105757	267002	86868	142208	97423	3291	1215	450	71534	95466	1559	118854	111164	128145	136549	92824	820	100200	111947	94285	153441	74260	122508	123494	58923	87008	86896	79317	88504	89776	266712	164821	174372	273158	70689	86026	116361	232778	111637	501	90741	153854	100055	109083	58230	104616	95378	143079	102369	192365	95417	104129	257774	126546	120257	152784	78661	90541	684	125157	117007	92118	163763	162789	160109	88816	120691	57792	125390	108234	1412	131518	75715	Phytochemical	0.13636364	1.2727273	0.0
14	C15 H32 O8	341.21698	341.21768	0.050352126	341.217	0	0	2764	3424	0	0	0	0	0	6736	26940	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5593	0	0	0	0	0	4725	0	0	0	0	0	0	0	0	0	0	0	0	43761	0	0	5204	0	0	0	0	0	0	0	0	0	2349	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1708	0	0	0	0	0	0	0	0	4273	243045	0	0	0	0	0	Lipid	0.53333336	2.1333334	0.0
12	C15 H32 O8	341.21698	341.2176	0.039111014	341.217	600803	482965	662459	571597	0	0	0	0	0	1123207	4203836	0	0	0	0	2006	0	0	0	3211	284143	0	0	0	0	0	0	0	0	106848	0	0	0	0	72398	0	0	0	0	828271	523947	0	18511	330	544	892648	1338049	598	0	0	581495	534395	0	1991	28493	0	0	0	7865051	9811	0	3863721	1761	1120	0	3114	1576	0	0	10799	6536	97332	0	0	52491	0	829	0	0	0	0	821	0	146216	0	16103	0	1110	0	0	43165	112470	0	584715	72332	0	677661	489853	0	0	0	0	0	112048	43979480	0	0	498	0	0	Lipid	0.53333336	2.1333334	0.0
8	C16 H28 O4 N4	341.21832	341.21878	-0.010557918	341.21832	3599	4462	1951	2045	0	960	2306	5498	0	0	0	5591	0	0	2359	6164	5682	0	0	0	0	0	2726	6009	3023	0	2398	2317	4427	6149	4840	7155	4445	4820	0	5938	3252	2366	6011	0	715	873	0	0	0	0	0	0	7899	5143	3231	4756	0	0	0	0	475	3924	0	0	5149	0	0	0	0	0	677	6645	0	0	0	4482	7274	4364	7127	5659	0	2594	3025	19724	2987	0	0	0	0	0	2199	731	725	14819	28398	7040	10036	0	0	0	3260	2810	0	0	0	5285	2769	1977	0	4297	0	0	3538	0	Peptide	0.25	1.75	0.25
6	C16 H28 O4 N4	341.21832	341.21875	-0.07571086	341.2183	3487	2684	2092	3058	592	539	2354	5576	440	0	0	3261	0	865	3177	5198	2551	0	860	0	0	916	3513	16375	5305	0	1033	2594	4147	5131	4405	5377	3872	6244	820	4942	3890	2979	4814	0	0	848	0	0	0	2895	0	0	4474	4512	2863	2142	699	0	0	0	382	6721	0	0	6982	0	0	0	426	718	737	5929	0	0	0	3706	4020	5236	3437	5229	0	2788	2949	17647	2130	0	0	0	0	0	2927	1183	0	13627	25796	6230	14814	1882	0	0	2810	2550	0	0	0	5218	2020	1831	0	4338	498	0	3517	0	Peptide	0.25	1.75	0.25
12	C16 H28 O4 N4	341.21832	341.21866	-0.13957752	341.2183	600803	482965	662459	571597	0	0	0	30728	0	1123207	4203836	136636	0	0	28490	10206	3757	0	0	3211	284143	0	1945	3251	0	0	0	0	23267	128985	21896	22211	3910	25434	72398	24984	0	36676	0	828271	523947	1460	18511	330	544	892648	1338049	598	20221	28678	581495	534395	0	1991	28493	0	1731	3841	7865051	9811	0	3863721	1761	1120	4867	3114	1576	0	0	10799	6536	118768	36074	35269	67226	24067	829	122609	0	0	0	821	0	146216	0	16103	0	1110	4808	0	43165	112470	0	584715	72332	0	677661	489853	0	0	0	0	112841	112048	43979480	0	0	498	0	0	Peptide	0.25	1.75	0.25
2	C16 H28 O4 N4	341.21832	341.21893	-0.055872507	341.21832	1532	1828	1205	1655	0	0	1032	2658	520	326	0	1387	1011	288	2074	2201	3249	24890	906	0	344	1982	1549	2557	2724	0	0	1831	1900	1152	1365	2525	3196	1742	537	2753	1700	1520	4045	0	0	0	0	0	0	0	369	0	1975	944	1240	3179	797	0	389	0	0	2884	0	0	1891	209	388	627	0	858	627	3560	0	243	0	1457	2131	1715	1570	1344	0	1334	2899	6117	924	0	0	244	0	452	2800	1348	775	6823	4405	2671	8026	808	601	0	2746	1507	0	0	0	1445	1585	797	295	2375	435	0	2982	667	Peptide	0.25	1.75	0.25
18	C19 H32 O5	341.23224	341.23257	-0.005289193	341.23224	4810	7890	6621	7216	2966	2370	36160	15069	0	0	0	1830	1976	7096	0	9360	7341	0	0	8337	0	2144	0	3840	3226	3884	25861	5840	4646	6674	3468	9298	1950	4878	0	7164	1645	1174	7701	9069	0	8132	447	0	0	12687	0	0	10292	10654	4382	6754	0	256	2977	2007	12591	7301	0	1145	7424	0	2986	0	24429	0	5593	8242	0	7037	0	10283	0	3639	3973	4849	0	0	0	6948	0	1819	37545	36390	14589	79752	2591	5292	1944	8038	33430	86020	2201	0	5736	0	8022	6230	5051	15459	79643	2576	0	9894	0	2070	21015	0	1948	0	Lipid	0.2631579	1.6842105	0.0
22	C19 H32 O5	341.23224	341.23264	-0.006292194	341.23224	93312	87535	88382	92132	43380	61540	771553	74055	9303	33603	37854	14276	25993	358045	21382	59216	77209	30491	37678	76782	10445	22171	10609	23154	20230	110223	747368	100954	45533	48095	32186	59074	39921	40260	13334	51350	38552	18545	78893	51392	37349	76595	17047	0	1288	76345	27681	0	82715	59941	91348	83923	26227	11577	13273	74569	130343	72085	11232	49380	106505	15508	152806	6306	351250	66292	111353	79449	13110	95663	37153	43605	23857	28381	35799	41504	1191	12908	12046	177697	8226	71795	354171	393771	111784	438335	31788	59440	46681	51138	509556	917365	39893	33020	44080	5357	83828	99140	72623	70420	216734	63724	12942	94983	38662	25389	207675	0	18858	67473	Lipid	0.2631579	1.6842105	0.0
28	C19 H32 O5	341.23224	341.23264	0.07897896	341.23227	3394	2143	3448	2360	1898	3012	11932	5200	879	2617	4887	1796	0	5864	2429	4875	4079	2805	2536	2540	2303	1588	2755	1968	3365	0	8703	12573	3313	3246	2483	2840	3351	2539	1556	4453	2779	2509	2604	3001	1242	4114	1378	1757	0	2303	0	1344	3765	3367	3933	2716	1427	0	1953	2532	1891	3735	3961	1843	3800	3169	1670	2190	4154	5132	5179	3315	2244	2355	1307	3184	2191	4056	2146	2543	0	1901	1169	14080	1864	4349	3299	2120	2246	5604	3693	2221	2397	2259	20463	20979	2334	3349	2139	1403	2473	3641	2400	1775	3376	3291	2536	4697	15387	2091	1766	1810	2557	2159	Lipid	0.2631579	1.6842105	0.0
20	C19 H32 O5	341.23224	341.2326	-0.042423528	341.23224	28178	19543	24935	24166	9961	10938	121956	37928	0	5469	6476	2817	6365	26845	5264	25153	13019	6627	5415	18770	0	4955	1466	5970	5668	22060	114803	33736	15973	22438	13079	28310	8622	13775	0	19084	6429	3830	20000	23880	5585	23670	3161	0	0	23095	0	0	37665	20408	27145	28196	4900	3322	2820	11759	32600	28033	1706	7821	24506	1106	14102	0	96699	16302	22282	23556	0	28769	0	22843	9176	14472	14467	17416	0	2612	5056	123285	2866	13007	146968	154719	31739	190313	13084	19308	9924	20897	168369	321532	10473	10698	13342	810	29044	23955	19244	29242	104777	21049	3460	27014	4764	11818	69008	0	8719	4592	Lipid	0.2631579	1.6842105	0.0
20	C18 H32 O4 N2	341.24347	341.24393	0.017953591	341.2435	52733	42802	46457	48475	18678	3954	6233	3771	1865	103722	5042	2573	11399	42801	2285	104121	1023456	2099	2731	0	0	0	2288	3434	6347	1773	8337	0	2172	106270	2422	11758	1628	4678	0	111570	4472	3195	41390	22633	20153	7013	181510	0	0	0	17326	0	19549	39666	40887	42183	1387	2450	3948	6876	3385	32955	1516	23649	4858	0	7548	1684	2997	23686	2450	1969069	0	6308	0	75604	38678	6215	662013	21886	0	1453	6017	2881	3393	0	1404	0	6497	7342	17332	15870	2787	1210491	61988	3104	406791	1471	10642	0	35769	43044	4347	9420	8423	43855	3308	5760	1511	8144	8528	0	6292	4540	Lipid	0.22222222	1.7777778	0.11111111
8	C18 H32 O4 N2	341.24347	341.24387	-0.04745966	341.24347	0	1874	991	1724	0	0	1038	0	0	0	0	717	0	0	1022	3123	1727	0	846	0	0	0	1306	2150	2677	0	1313	0	1343	923	1540	1301	1406	1478	0	0	1556	926	1812	0	0	0	0	0	0	0	0	0	1672	817	1345	0	1101	0	869	0	0	2639	0	0	0	0	832	770	0	0	668	1405	0	0	0	1336	0	0	1118	1582	0	938	1082	0	0	0	0	0	0	0	11827	1019	0	20950	13310	0	2244	0	0	0	1754	0	0	0	0	0	0	0	0	1910	0	0	2090	0	Lipid	0.22222222	1.7777778	0.11111111
16	C18 H32 O4 N2	341.24347	341.2439	0.12581247	341.24353	3811	2800	4733	4861	0	0	0	0	0	0	0	0	0	0	0	0	114028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6997	0	0	0	9646	0	0	0	2755	0	0	0	3198	2576	0	251	0	0	0	0	0	6573	0	0	0	0	0	0	0	388185	0	0	0	0	0	0	8767	0	0	0	0	0	0	0	0	0	0	0	0	0	0	320492	7572	0	0	0	0	0	4163	4614	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22222222	1.7777778	0.11111111
18	C18 H32 O4 N2	341.24347	341.24393	-0.06446737	341.24347	13468	10098	16345	12526	0	0	0	0	0	3647	4587	0	0	0	0	0	207293	0	0	0	0	0	0	0	0	0	0	0	0	1259	0	0	0	0	0	0	0	0	10130	0	3581	0	9740	0	0	0	7895	0	0	2029	16733	10999	0	403	0	0	1530	0	0	11049	0	0	0	0	0	6699	0	1206476	0	0	0	1398	0	0	22745	0	0	0	0	1573	0	0	0	0	0	3210	0	0	0	907091	3853	0	11144	0	1448	0	11123	14706	1450	0	4253	1805	0	0	0	0	0	0	0	0	Lipid	0.22222222	1.7777778	0.11111111
26	C23 H32 O2	341.2475	341.24792	0.03385409	341.24753	61491	59095	60662	59020	67226	29883	64733	53563	53359	32398	69476	39902	44404	46614	63149	89174	90577	51268	90945	51972	45262	44792	35837	43980	74158	139849	69618	83304	64619	75169	48531	185094	57591	46325	38168	75736	54062	66707	91219	50726	53475	55865	8414	0	0	32991	38567	0	57028	55495	67318	57594	60078	0	65752	70018	47758	69621	37715	41150	57353	31134	39717	35149	45062	51668	77269	104964	89033	60181	80570	24111	39927	74181	64365	70031	0	36654	76193	89173	45673	50343	53229	50749	83821	71217	149142	44698	57392	140761	60634	67153	64737	58703	42873	0	63502	71209	55497	102955	105623	94954	35095	60588	43953	47860	70673	0	83201	28696	Lipid	0.08695652	1.3913044	0.0
22	C23 H32 O2	341.2475	341.2479	-0.022677576	341.2475	15349	19870	9039	19349	13222	7886	27272	17321	15335	8291	7249	12797	6775	15154	18286	24356	52247	8916	14280	6985	6647	7569	11047	9879	17984	11397	26514	9658	12395	21276	10115	21219	15706	7538	3581	19331	11968	19272	52959	2011	8934	12712	0	0	0	6465	10101	0	19887	15227	17006	18819	15082	0	13450	22936	16599	19494	6786	16593	15963	2579	10130	7506	14438	12216	16577	60541	9619	6788	17435	5813	8383	16408	34636	15800	0	10475	26290	10641	14856	6953	16655	11042	26754	19139	43072	8531	13001	60229	16070	10409	14605	7765	8257	0	15650	16790	17216	37345	33571	29384	10366	13659	5102	15466	21659	0	20743	6340	Lipid	0.08695652	1.3913044	0.0
28	C23 H32 O2	341.2475	341.2479	-0.004829501	341.2475	18965	17165	16488	15074	21242	6736	25012	20312	15629	6800	21602	9330	11135	13328	16698	20565	27421	29776	28925	11504	8527	12144	13694	13478	30079	44067	19841	27203	22621	25171	16198	44666	24655	12909	11847	30504	15740	21153	25401	9470	11679	16866	1982	0	0	10050	9081	0	16720	18506	17849	16758	18310	0	20647	24173	14704	24181	15228	8414	16692	9257	8162	12115	15925	17497	27297	30932	28941	15614	16530	7217	10445	27148	17550	20798	0	10494	29556	43571	13255	17497	20350	17011	33517	20072	49101	13207	15514	33698	19985	20768	18868	28457	12411	0	17441	18461	18452	39473	46138	30952	12103	20566	15933	14711	29412	0	23978	9692	Lipid	0.08695652	1.3913044	0.0
8	C17 H32 O3 N4	341.25473	341.2552	0.07712102	341.25473	0	1563	870	1193	0	0	657	1937	0	0	0	0	0	0	4257	2012	0	0	0	0	0	0	0	13505	17305	0	0	0	1173	0	1297	1084	0	0	0	0	0	6519	0	0	0	0	0	0	0	0	0	0	1563	0	0	0	0	0	0	0	0	1380	0	0	0	0	0	0	0	0	0	2355	0	0	0	0	0	0	1270	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4273	0	0	2493	0	0	0	1024	0	0	0	0	0	0	0	0	2622	0	0	22742	0	Peptide	0.1764706	1.882353	0.23529412
12	C17 H32 O3 N4	341.25473	341.25504	-0.049143665	341.2547	2075	1719	2074	2430	0	0	132623	1349	0	0	5248	14878	0	0	4266	0	74786	0	0	0	0	0	0	0	0	0	152633	0	2783	0	1831	0	0	0	0	0	0	5988	58346	0	0	0	0	0	0	0	0	0	2187	0	2660	2550	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	87196	0	0	0	0	0	0	70572	0	0	0	0	0	988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1681	0	0	0	0	0	8039	0	0	0	0	0	2496	0	Peptide	0.1764706	1.882353	0.23529412
28	C20 H36 O4	341.26865	341.26904	0.012981031	341.26865	10036	7906	9264	8911	10342	5335	31150	8597	4457	3389	12534	3666	6197	9982	8612	8317	8468	6658	9775	5350	6688	2775	6783	6012	9214	6274	19986	29287	7874	7694	4580	4472	2536	5840	4270	8192	3997	5905	4801	4017	5755	10960	6799	5185	14444	9268	5954	5116	5338	11358	10062	7414	8231	13217	8030	10493	17780	3661	8674	5687	8011	6666	4447	2796	72334	7680	9920	5906	8521	3627	5004	3100	4460	9553	8461	3995	15246	4597	3922	29574	5140	11352	8014	7954	99031	149627	6697	8640	6293	6585	34201	39090	4995	8711	6834	4780	8077	11088	10692	3088	13696	6050	7802	8011	16311	5948	151578	4238	3949	3402	Lipid	0.2	1.8	0.0
22	C20 H36 O4	341.26865	341.26843	-0.011762415	341.26865	0	0	0	1686	0	0	26817	0	0	0	0	0	0	4789	0	0	0	0	0	0	0	0	0	0	0	2526	24508	1714	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4353	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16993	0	0	12224	14294	0	0	0	0	0	1893	4778	3836	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	1.8	0.0
26	C20 H36 O4	341.26865	341.26907	0.13531788	341.26868	37949	33570	35139	40606	28350	23911	530266	6955	6017	5941	51900	7028	9379	585383	9264	4955	19336	6327	25101	7032	4781	9195	0	4844	0	59563	570412	99808	11984	7836	4357	6775	2963	4634	6176	8920	3450	12171	21917	9997	34765	40327	9774	0	0	18317	22180	0	8037	6056	40765	37832	13848	0	0	53052	52055	5960	9327	48317	82541	14401	121278	3536	580369	33118	70703	18219	41909	14671	23018	5161	3779	10483	0	8057	0	4506	6948	106367	8930	59613	67226	73961	181628	235539	12189	23533	21935	13260	66265	63951	15761	14927	14323	0	41052	44565	75261	4303	16905	6158	4372	69201	37007	4635	202164	0	10124	34697	Lipid	0.2	1.8	0.0
24	C20 H36 O4	341.26865	341.269	0.05436564	341.26865	13174	14794	11933	13060	16511	10498	184301	6484	0	1319	6647	964	4629	80216	2330	4802	5218	3872	4526	2766	0	0	0	1652	2174	18972	170987	26759	6371	2504	2816	3346	2095	2918	0	3042	2583	1810	6265	1912	4368	8394	4467	0	0	3761	5723	0	3311	5128	13052	11029	3396	0	19017	7011	17805	3782	1482	7043	12405	2184	18714	1264	105212	15030	21236	5631	1717	4590	6269	2843	2082	2259	6052	4766	0	2115	0	47218	857	6630	40096	52050	65670	146529	6958	12579	5842	12845	51698	48053	2169	6796	3569	0	12879	11525	13602	2354	7517	1540	2254	6946	4549	2626	104086	0	4246	2122	Lipid	0.2	1.8	0.0
20	C20 H36 O4	341.26865	341.26886	0.09389842	341.26868	3983	4713	1850	3370	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1275	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2033	3041	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16424	0	0	1104	0	0	0	0	0	0	0	214376	188376	0	3979	7042	0	2117	2035	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	1.8	0.0
4	C19 H36 O3 N2	341.27988	341.28027	-0.030116584	341.27985	706	754	440	637	0	0	287	0	0	0	0	0	0	0	0	445	0	0	0	0	0	0	0	0	0	0	0	0	7955	0	2704	4427	4446	1360	0	799	5107	0	891	0	0	0	0	0	0	0	0	0	42184	0	874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	58128	345	0	0	269	0	0	0	0	0	0	0	0	0	0	630	0	0	0	0	0	0	731	539	0	0	0	1700	0	0	0	0	0	0	251	0	Lipid	0.15789473	1.8947369	0.10526316
6	C19 H36 O3 N2	341.27988	341.28015	-0.008730023	341.27988	1800	1984	1291	2575	0	0	943	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	812	0	25196	0	30753	12007	28641	4351	0	2957	38883	0	0	0	0	0	0	0	0	0	0	0	118324	0	1876	2147	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	735	0	116260	7273	0	0	0	0	0	0	0	0	0	0	0	0	0	1424	0	0	0	0	0	0	2033	2788	0	0	0	16837	0	0	0	0	0	0	0	0	Lipid	0.15789473	1.8947369	0.10526316
26	C24 H36 O1	341.2839	341.2839	0.060878485	341.2839	0	2392	2707	0	0	0	9136	0	0	0	0	0	0	0	0	0	7790	0	0	0	0	0	0	0	0	0	10094	2760	0	0	0	0	0	0	0	0	1953	3552	8432	0	0	0	0	0	0	0	0	0	2044	0	0	0	0	0	0	0	0	1750	0	0	0	0	0	0	3532	1431	5128	9318	0	0	0	0	0	0	0	2633	0	0	11457	0	0	0	2166	0	0	0	32370	0	0	26842	1459	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6205	0	Lipid	0.041666668	1.5	0.0
16	C18 H36 O2 N4	341.2911	341.2915	-0.10692952	341.29108	1743	1445	2514	0	0	0	0	9769	0	0	0	0	0	0	5474	12411	0	0	0	0	0	0	1193	198576	301835	0	0	0	0	2214	12935	0	0	0	0	0	0	43783	0	0	0	0	0	0	0	8588	0	0	0	0	1940	3263	0	0	0	0	0	4932	0	0	10061	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4309	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3689	0	0	0	0	0	0	0	0	0	0	174229	0	Unclassified	0.11111111	2.0	0.22222222
26	C21 H40 O3	341.30502	341.30505	0.037998106	341.30502	0	0	0	0	0	0	33976	0	0	0	3219	0	0	19931	0	0	0	0	0	0	0	0	0	0	0	0	38324	3503	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31657	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6674	0	0	2777	4455	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2997	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.14285715	1.9047619	0.0
16	C20 H40 O2 N2	341.31625	341.31668	-0.02053281	341.31625	0	0	0	0	0	0	5019	0	0	0	0	2098	0	0	0	22579	22674	0	0	0	0	0	0	11492	7687	0	5218	0	6062	3333	3104	8856	6165	0	0	9974	16742	0	14881	0	0	0	0	0	0	0	0	0	6439	2671	0	0	0	0	0	0	0	17216	0	0	14467	0	0	0	0	0	0	30701	0	0	1458	0	0	2152	20519	5584	0	1523	2926	0	1149	0	0	0	0	0	0	1793	0	0	0	0	0	0	0	0	0	0	0	0	0	19265	0	0	0	0	0	0	4779	0	Lipid	0.1	2.0	0.1
24	C9 H4 O10 N1 S1 Na1	341.95264	341.95294	-1.0315629	341.95227	1342	0	0	0	0	0	0	5976	0	0	0	0	0	0	0	17968	0	0	0	0	0	0	91552	98531	4642	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42831	0	0	29729	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	926	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2973	0	0	0	0	Organosulfur	1.1111112	0.44444445	0.11111111
16	C17 H11 O7 N1	342.06082	342.06125	0.10862907	342.06085	5197	5003	6305	4624	10094	4313	1253	0	7183	8102	4689	0	12471	3050	1811	5534	2063	6959	6243	4313	5934	18222	4621	5759	2041	3193	1915	2666	1889	0	1745	0	5592	1307	14497	0	6499	1629	3590	6032	20932	2781	393	0	0	4360	6399	0	0	0	5488	7542	7698	0	6614	5457	5158	6943	1375	3163	0	6872	12909	8136	2488	12350	2699	3518	5272	7237	11281	0	0	0	0	1288	0	2485	6953	14032	4892	4706	2586	4790	12010	3333	7118	6217	3294	0	4465	4239	0	15487	17985	0	6540	3798	6041	10227	5781	8299	1501	2697	0	0	4761	0	2824	13219	Phytochemical	0.4117647	0.64705884	0.05882353
18	C17 H11 O7 N1	342.06082	342.06125	0.097215705	342.06085	7200	3056	6147	5395	7992	1822	3984	1670	9145	7584	7008	1289	10666	4487	2126	3535	4484	14357	7467	4469	6042	12477	5770	3915	1672	2626	2573	1460	0	0	2300	0	5516	0	11726	0	5094	1092	4436	11938	15103	3794	506	0	0	1563	7168	415	2878	0	4999	4579	4957	0	6810	4006	3406	3802	0	5967	2159	7490	10141	8784	3363	8437	4397	4792	5093	4058	9039	2016	0	0	2166	0	0	1335	10236	18890	5393	3792	1626	3213	8685	3565	8672	6692	6393	9837	0	7344	4192	24981	18568	0	7904	4499	5011	9361	10608	3384	3029	2253	3906	3434	4814	0	3703	14075	Phytochemical	0.4117647	0.64705884	0.05882353
20	C17 H11 O7 N1	342.06082	342.06125	0.11708897	342.06088	6479	4292	6066	5450	5678	4381	2260	1929	3488	5303	1568	2655	5912	3471	2325	3309	6943	6944	6293	4763	4371	14931	4443	4049	2313	1310	2395	0	0	0	2136	1792	4857	2361	6388	0	4387	2620	6967	5493	15596	4197	893	0	0	2687	8002	948	2166	2561	6918	5354	5450	474	3904	3608	3785	2375	990	5652	5570	4120	6014	6644	3512	6834	4861	6935	2039	3558	3303	1591	0	1757	1889	2076	434	1683	6101	13582	6842	5949	2424	0	7365	6068	7821	6196	7332	15053	3301	3586	8350	23603	16493	0	4327	4132	4982	7219	8248	4560	1832	3528	2388	2620	2713	0	3673	9152	Phytochemical	0.4117647	0.64705884	0.05882353
16	C14 H15 O7 N1 S1	342.0642	342.06467	0.098539785	342.06424	5298	3282	5644	5516	7076	6252	0	2248	5761	16278	6475	1368	15333	2747	2492	2990	1604	7378	10833	4098	12596	23678	3207	3264	1341	1770	0	3874	1620	0	1945	0	4797	1938	16797	1800	5894	1169	3602	15764	15303	5134	0	0	0	4290	6231	0	2843	1577	7238	5471	7530	0	6008	2745	2403	7492	8603	6909	0	11935	5790	4588	2091	5764	3648	1415	4377	3507	0	1759	1388	0	1861	0	0	0	3854	17793	1519	5047	6084	6874	3800	3020	2603	5833	2712	0	18945	27531	0	20544	22781	0	7298	7526	2238	3899	1421	2679	1432	6392	0	0	5305	0	3662	15831	Organosulfur	0.5	1.0714285	0.071428575
14	C14 H15 O7 N1 S1	342.0642	342.0647	0.10087521	342.06424	13600	11836	6337	10108	11301	6929	2236	2874	10699	27188	7526	1763	13652	2576	1630	3719	2961	18410	12252	10715	14327	39165	2367	5964	2720	3044	3273	10119	1845	2747	2013	0	7135	2028	30275	1864	5631	2041	4134	27400	32082	4300	0	0	0	9545	9983	0	3241	1452	7730	8584	7743	0	6902	6888	2914	4510	8523	7947	0	26610	10650	8516	2863	11443	5115	2922	0	7829	10896	0	1928	0	2673	2066	0	2521	4492	0	3690	7327	6475	9141	6989	4294	5228	5372	6185	14121	20948	29544	13822	30705	39060	0	8522	5050	7972	6550	5252	4086	1268	6352	0	10360	6280	0	3756	22079	Organosulfur	0.5	1.0714285	0.071428575
12	C14 H15 O7 N1 S1	342.0642	342.0647	0.12651935	342.06424	7442	7206	8209	7332	11595	3398	0	0	8122	25140	16150	1636	12360	3162	1345	3206	4226	12120	10112	9525	21536	42205	2716	3726	0	2645	2348	9611	1773	2042	2226	2606	3669	4412	31135	3935	4715	3254	3328	23084	45295	3553	0	0	0	7178	14060	0	1626	1083	9456	8305	6936	0	9644	5612	3708	5778	5025	8154	0	20469	11841	9947	2101	8965	3854	0	0	10245	21739	1229	2327	0	1989	1890	0	1637	2935	0	1490	8789	5465	11733	6008	2788	6973	4358	4972	5907	11922	25412	12576	29045	33245	0	4998	15406	4089	6724	5308	5108	2304	7505	0	5918	8089	0	4198	13310	Organosulfur	0.5	1.0714285	0.071428575
10	C14 H15 O7 N1 S1	342.0642	342.06473	0.13342097	342.06424	4506	7302	5144	5807	8004	3950	1632	1065	7236	16011	8741	1552	14973	1752	1458	1916	2906	7639	8913	5421	10237	21522	1427	3921	1111	3539	1235	3976	2170	1184	1865	2817	3419	1897	20871	1600	4054	1627	2319	21089	25320	3307	0	0	0	5005	11095	0	1157	0	6084	6691	4401	0	9003	5097	2836	2113	5898	9411	0	11919	10936	5706	1842	6659	3854	1434	9057	6162	8395	2585	0	0	1145	868	0	0	2917	8791	1460	3952	3263	7344	5118	1214	4402	3062	2934	3998	6006	13113	4823	21105	22913	0	3455	6502	3866	5965	4325	4496	1260	4122	0	2896	5692	0	1121	13923	Organosulfur	0.5	1.0714285	0.071428575
6	C14 H12 O6 N3 Na1	342.06964	342.07037	0.8190662	342.06995	0	1028	711	0	0	0	0	1953	0	0	0	0	0	0	0	0	0	0	0	0	0	5116	2158	28341	2401	0	0	0	1001	0	799	939	0	0	0	0	0	0	0	0	0	0	0	0	0	4790	0	0	0	0	820	1010	0	0	0	0	0	5637	0	0	6231	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3458	0	2205	387	0	0	0	0	6690	0	0	0	0	0	23923	0	0	0	1160	0	0	0	0	0	0	0	0	4452	0	0	0	0	Unclassified	0.42857143	0.85714287	0.21428572
10	C14 H15 O9 N1	342.08197	342.0825	0.12242841	342.082	47917	43349	36655	32207	69625	36526	12286	22641	76686	44283	50315	28778	125216	23363	18716	23075	35091	98896	85690	26806	74003	71300	31379	25424	7011	0	11158	9578	15059	16260	17679	20699	41336	18052	56322	17644	35630	17573	31520	35890	74610	40916	1248	0	0	17133	39814	0	19291	15653	41246	44861	53634	0	112562	67540	35242	22890	23737	37308	25261	42851	141527	117764	34061	82715	41114	37249	19998	6204	18438	17353	17625	13209	23913	16968	0	22067	28690	26230	20001	14820	6998	5374	68916	28432	23067	48762	46413	46325	6639	27515	41441	67225	44882	0	43530	40817	47056	72101	61702	40850	24046	23628	17832	35417	51962	0	9627	159950	Phytochemical	0.64285713	1.0714285	0.071428575
18	C14 H15 O9 N1	342.08197	342.08246	0.18299516	342.08203	4197	3683	4386	3609	12712	6148	1996	1941	9129	2465	0	4348	15949	5841	3279	2599	4398	14487	15333	0	0	5080	5256	3690	1459	0	2475	0	0	2428	2677	3318	5894	0	3436	2125	4118	2463	3288	0	3466	7115	754	307	678	2439	3138	871	0	3227	3633	3448	9406	336	11849	9590	4796	1825	1372	2521	3802	1886	19563	15078	5048	14879	6048	4311	0	0	0	3093	1771	2083	2388	0	393	2830	4402	4503	3923	2266	0	0	10082	7067	5035	6744	8481	4274	0	2098	6518	2478	4188	0	3354	5363	3569	8348	8587	4458	2207	0	0	3291	6580	383	1829	20946	Phytochemical	0.64285713	1.0714285	0.071428575
8	C14 H15 O9 N1	342.08197	342.08252	0.124064386	342.082	39124	39601	25059	38675	49476	27836	9199	16537	61495	36670	45968	21256	96555	15981	13320	24571	31076	59560	69247	34030	71556	61025	24651	18155	3287	1351	9782	8753	12886	11876	14242	17248	28537	14332	56437	10532	28547	13718	24430	28532	75336	34065	607	0	0	17663	32302	0	15136	16146	34816	39444	35772	0	88584	63205	30339	16177	16681	26767	21343	37339	130424	102597	30590	64624	35698	30475	12150	3219	16737	16241	12176	12719	18774	15103	0	14063	17311	17537	14466	11263	7305	5857	49959	17007	17363	39809	40339	30931	0	18130	30377	55874	30468	0	31819	41058	46869	68406	64115	33563	18726	20905	14960	28680	47663	0	6260	122497	Phytochemical	0.64285713	1.0714285	0.071428575
14	C14 H15 O9 N1	342.08197	342.08246	0.10494983	342.082	27454	24407	25707	29510	42701	31386	9193	14933	53870	10657	13474	21464	75473	20949	20287	16638	27772	67382	57547	9838	25534	26510	26807	18059	5009	0	7197	0	12070	12311	12470	15187	21974	12652	17305	11422	25406	13927	19309	10297	19399	34481	0	0	373	11082	19499	804	11854	12125	28030	18199	39190	292	77344	46234	22909	14100	13176	15398	0	22851	93808	78098	19269	66472	36803	25869	0	2608	5078	14798	12268	8112	15889	12158	0	16262	20392	15457	14519	7345	4822	3296	50479	24501	20630	38497	33697	24450	7068	12720	25916	26810	16664	510	19209	19958	24960	45363	49597	25403	19017	9694	0	23941	36035	0	7085	106348	Phytochemical	0.64285713	1.0714285	0.071428575
6	C14 H15 O9 N1	342.08197	342.08255	0.1303036	342.082	12125	17929	14211	14123	24576	10812	4310	6813	30506	16670	16841	7859	52707	6809	5330	10313	11761	28546	31620	12189	29689	18147	9642	7118	1465	911	3175	3142	5180	5063	7548	6845	11934	5197	19250	4587	10138	6789	10384	13778	25147	14965	0	0	0	6194	13568	0	7263	6740	16613	13211	18887	0	41531	34160	13298	10668	3748	11054	7260	10256	61543	45453	13307	36912	15167	15154	4275	3025	7976	6047	5472	4517	7185	6179	0	5121	6201	0	5839	3592	2449	2951	30230	11124	5859	22424	15551	10811	0	6815	12998	19110	12922	0	15449	14710	19437	31060	34842	14127	7497	8676	0	9893	19734	0	3739	65195	Phytochemical	0.64285713	1.0714285	0.071428575
10	C15 H16 O3 N3 S1 Na1	342.0883	342.08908	0.85851103	342.08856	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29966	6249	0	21339	5736	3924	0	24321	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5576	4767	0	28282	0	0	0	0	0	0	0	0	0	0	0	818	0	0	0	0	0	0	0	0	0	0	0	0	0	6180	0	0	0	0	0	0	0	0	Peptide	0.2	1.0666667	0.2
6	C18 H15 O6 N1	342.0972	342.0978	0.12899898	342.09726	3837	5099	4405	5289	6754	3003	697	0	9955	17696	14455	1431	10376	3253	1479	1879	1712	6245	8658	10516	21356	9460	3182	3799	856	10127	1200	8188	0	1049	1892	0	2523	928	23840	0	2193	2523	2582	5729	15454	3294	0	0	0	6397	13758	0	1816	1911	5389	4592	4430	0	9461	6275	3102	2349	830	2989	2539	5674	9221	7007	1964	6301	3252	1334	20769	18776	42132	1409	0	0	0	0	0	1442	3502	6661	2748	5664	999	3452	6095	3228	3939	3231	2338	5060	0	3378	4964	12794	10090	0	4707	3346	6599	7165	7894	1890	1050	2133	0	1578	4719	0	1907	10824	Phytochemical	0.33333334	0.8333333	0.055555556
10	C18 H15 O6 N1	342.0972	342.09775	0.14188753	342.09726	22120	20980	24646	16203	23812	14301	6223	7705	31173	53529	43296	8780	22080	9030	6365	9446	11199	28367	32888	36745	56869	40146	14553	9941	6079	62646	6796	24229	8035	4236	4434	7008	12116	5879	72070	6919	12898	6742	11215	38328	63044	10216	0	0	0	24219	35405	0	9519	5118	20532	19308	18609	0	26274	17271	9405	16453	1983	12341	15891	23885	30744	19107	12847	22635	11555	18573	83402	80003	126732	7175	4568	4298	6794	6246	0	7740	16101	24497	14384	15304	5882	19421	23785	11475	16555	21722	12568	33221	11947	17482	24101	39466	41859	0	20484	19073	17922	23615	21498	12936	5885	9850	0	11565	16762	0	7284	36177	Phytochemical	0.33333334	0.8333333	0.055555556
20	C18 H15 O6 N1	342.0972	342.09763	0.086503275	342.09723	25462	22283	17725	18849	20806	13799	7980	7105	15347	53904	52324	6429	15460	10427	4888	11094	12385	17817	14948	34969	48705	57550	9226	11234	6424	53690	4934	31226	9340	6095	5925	6489	12409	5720	58707	7714	13103	6373	14734	45043	78650	11564	1402	575	474	23829	54717	617	10131	5318	23390	29500	14985	683	13333	13831	7370	10733	7252	14577	7578	34690	24765	18668	10449	16351	17183	12209	55862	60837	99943	6054	4270	0	6612	6789	0	5309	16269	66996	12614	22750	7410	20624	13672	10343	19567	15239	11645	26361	23676	24070	14736	77976	66336	558	24345	19631	18277	15874	15971	11653	5635	15396	22091	11732	8659	0	11221	23153	Phytochemical	0.33333334	0.8333333	0.055555556
12	C18 H15 O6 N1	342.0972	342.09775	0.1291561	342.09726	22670	23403	21979	21644	29788	14814	9326	10160	25053	65922	52396	8693	26463	10244	8948	11398	11559	27657	39975	57637	77499	50002	16234	15239	6407	97239	7595	35361	7643	5282	6835	7544	17241	8215	93466	7196	13972	9393	16046	50252	108171	12348	394	0	0	24430	46939	0	9466	5903	21736	25733	21698	0	28563	23483	10565	11740	6844	24774	0	34297	36608	23295	10911	30925	14795	17607	99404	119985	192530	7031	5410	3693	6344	6216	195	6068	21260	31927	17969	25203	9175	32055	25612	12505	19330	14767	13864	29841	14613	22713	23064	66211	49510	0	25969	25282	25321	26802	23956	14275	8915	11816	0	12849	20071	0	13513	32524	Phytochemical	0.33333334	0.8333333	0.055555556
18	C18 H15 O6 N1	342.0972	342.09766	0.07381279	342.09723	37401	36582	35339	29516	36177	25030	14845	11091	25375	88907	74016	11337	26345	14964	6829	23356	20694	30826	38196	50420	73488	64105	15433	17085	11923	91592	12604	53629	11152	11718	10210	11357	21071	12661	91100	6070	19033	9441	18828	74772	116260	18502	928	0	346	39265	62678	511	10047	6752	34025	38644	24000	393	23113	19343	15152	21286	11251	27115	17894	56593	39615	27567	14419	25885	23402	22179	99938	111772	176175	11077	6637	4600	9387	10365	345	10717	29342	86578	20382	33433	15502	47424	38072	17631	30969	20652	24063	36639	35437	31810	27115	107714	120996	922	27902	30945	24995	22904	28411	18900	8434	21471	25601	19769	18195	0	15031	36832	Phytochemical	0.33333334	0.8333333	0.055555556
14	C18 H15 O6 N1	342.0972	342.09772	0.12189802	342.09726	29099	37826	29158	32487	28670	18754	9363	10785	26122	95486	84193	8722	35561	16956	9798	22209	15216	35336	32801	65923	87937	64906	14246	18182	12379	129720	10227	55792	10455	10793	9295	6378	14382	6886	123502	9389	19541	12291	21173	62599	96620	12409	0	0	0	38493	54914	0	10042	8711	30024	32069	20049	0	31912	24846	14230	23364	12221	27174	0	52904	49347	29558	12583	36632	23681	20163	135707	147965	202335	9236	8948	3982	13087	12114	0	10953	28716	72251	16880	35750	16012	47478	31743	14236	24499	17143	21503	41257	24020	29833	31046	89367	83722	0	31162	34057	26632	31040	28809	15394	10171	20063	15286	20494	21714	0	14533	31186	Phytochemical	0.33333334	0.8333333	0.055555556
8	C18 H15 O6 N1	342.0972	342.0978	0.15520522	342.09726	19113	18936	14047	23910	21252	11532	3694	11858	24644	38015	34605	9240	30721	5083	8446	11859	11352	20377	27209	28760	46983	30022	15395	9723	2856	30889	3992	18482	9071	2197	6570	7944	11570	6699	48948	7328	10828	8898	13673	18496	44222	10855	0	0	0	11766	35338	0	8039	10389	10084	20024	13649	0	26610	16399	11537	12792	4270	14558	5465	19662	36806	30971	4895	26775	12902	18978	62441	45654	99257	7711	8737	4582	12356	3482	0	2887	14246	14947	11770	9684	5237	14433	24848	4625	12918	19406	12847	27745	0	14972	23849	22106	28319	0	18310	13680	19375	21399	14056	14538	9501	3972	0	16981	10780	0	5821	43364	Phytochemical	0.33333334	0.8333333	0.055555556
24	C18 H15 O6 N1	342.0972	342.0976	0.067074016	342.09723	3290	3353	4922	2676	2683	3749	0	1789	2195	12784	9545	1475	0	1243	1577	1412	2219	3364	3193	1685	8234	9455	1884	1859	1844	2828	0	2370	0	1460	0	1215	2213	0	9392	0	1682	1136	1444	10967	20277	3069	0	0	0	5657	12381	0	1844	0	3399	3672	3273	0	3569	1342	1803	2665	1374	3903	1836	7858	4099	1851	0	3623	3740	2569	8690	6651	19533	850	0	0	0	0	0	1492	2681	18196	883	4794	1010	5242	4207	3073	3495	3091	1805	4848	2813	3468	4359	18256	17415	0	4776	3776	2175	2928	0	1654	2191	4213	4473	3583	0	0	0	3108	Phytochemical	0.33333334	0.8333333	0.055555556
16	C18 H15 O6 N1	342.0972	342.0977	0.09993732	342.09726	38891	41562	38918	40468	38508	22104	11392	12423	32008	103725	85751	10433	34853	19644	16336	23697	24502	36871	40742	79539	96551	87371	14580	22979	13450	122188	12330	58353	9431	8606	11606	13690	25362	12228	122857	5722	21386	12979	19510	80086	126987	15778	1278	0	329	44806	57842	412	17358	10927	37304	42818	23523	399	29864	26375	14236	28161	10411	25259	23500	49449	49535	30901	11724	37550	25026	26295	130709	150523	219112	11637	6646	5688	11680	8930	311	7453	24408	92392	20149	43712	15826	58711	33552	17521	31156	23537	18158	58374	41940	44989	36776	103267	116474	613	35783	33073	22133	33822	25937	25756	8518	22530	23026	21535	20585	316	19279	50024	Phytochemical	0.33333334	0.8333333	0.055555556
22	C18 H15 O6 N1	342.0972	342.09766	0.0742702	342.09723	9795	14074	7138	8730	6185	5794	4581	4801	5982	29525	29131	3207	4838	0	2794	6819	5095	10464	13910	15719	24809	27791	4160	4631	2730	19070	2240	14008	3212	2528	2888	0	3311	4311	28081	1144	5560	2201	5921	25611	42584	5482	0	0	386	14856	33096	0	4432	1482	10488	12597	6644	369	7404	5024	3631	7263	5108	9240	5535	17540	9712	7885	3544	6322	8401	6818	25280	21023	48957	1863	3177	0	3555	3282	342	2246	8163	33351	5308	16631	4172	14877	7617	4236	6684	7353	7221	10320	5368	9441	4714	36635	38088	0	10248	11083	7111	7302	5662	4780	2257	5101	11128	7982	3762	0	5466	8295	Phytochemical	0.33333334	0.8333333	0.055555556
18	C15 H19 O6 N1 S1	342.1006	342.10104	0.11601096	342.10062	7218	8127	7596	6937	7603	10500	2366	3536	3976	13954	12983	2831	14304	4174	1673	4055	7404	10212	8440	11264	11453	22064	1765	6161	2314	8453	3043	7931	4224	3795	4000	4909	6079	0	14969	3240	5453	4312	4676	22106	22545	4399	0	0	0	9739	7686	0	5960	1885	9360	6476	7088	0	5820	4188	1659	8279	9062	10739	8253	13542	4372	3745	2200	7597	7284	3526	11218	8636	11106	2831	3416	0	3498	0	0	2603	5895	17770	2352	8027	7107	11425	5884	4457	6060	6976	6967	5712	28572	32947	8043	14628	33594	0	8095	5765	3893	3286	1481	4804	1922	9612	7214	6705	7610	0	6441	9400	Organosulfur	0.4	1.2666667	0.06666667
0	C17 H20 O3 N1 S1 Na1	342.11343	342.1144	0.60622066	342.11365	6298	6752	8848	6145	0	0	0	0	0	0	0	0	0	0	2063	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5443	0	0	0	0	0	0	2099	0	0	0	0	37711	0	0	0	0	0	0	2756	5200	5405	7575	0	0	0	0	0	0	0	0	2433	0	0	0	0	0	0	0	0	0	0	0	0	2640	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5611	6299	0	0	0	5892	0	0	0	0	0	0	0	0	Organosulfur	0.1764706	1.1764706	0.05882353
6	C15 H19 O8 N1	342.11835	342.1189	0.05805372	342.11838	119768	135444	112304	111712	86701	63950	51724	117193	128230	176794	138664	89175	169135	38820	80852	122813	128584	168718	174318	160853	232967	336210	97335	130485	37926	43220	59859	57896	101704	98786	105362	108357	147903	96764	207390	108630	132468	69457	166599	124359	221102	96255	2327	485	548	110111	192350	324	116919	102368	116358	122869	97487	816	190105	123766	70507	114003	105651	158314	130115	106629	196765	150265	115527	117953	101905	161076	101856	76373	112278	94132	97153	96744	72096	84761	438	70955	76524	58713	68015	63883	61897	48613	110390	78821	73294	110451	110844	133491	56205	93628	154507	118628	138098	882	123780	121312	73504	98570	114556	144842	79326	140374	85479	113926	93037	634	48248	223134	Phytochemical	0.53333336	1.2666667	0.06666667
10	C15 H19 O8 N1	342.11835	342.11887	0.07240212	342.11838	447337	426754	395820	404393	353278	286445	219658	382749	503052	782108	430881	307104	659280	153085	284032	415516	367305	723890	672909	786276	887123	655586	358899	423194	161198	268109	225415	278869	370632	346848	322885	381374	521544	353434	977436	358131	515638	257541	410527	790734	756450	331691	11096	1604	1710	433520	460410	1128	376702	331907	441631	452347	356448	2371	811526	371893	196411	396712	437526	379305	456961	555350	576904	579814	191755	460716	320573	419105	556591	428269	512284	361467	344438	340745	319697	324504	1194	263816	280519	260578	255453	282716	250558	262305	374662	262733	261732	315485	349840	350599	264138	447129	482891	440973	572714	3346	433549	478557	294667	286427	312855	496780	296558	495528	275546	357053	349429	1297	181346	763620	Phytochemical	0.53333336	1.2666667	0.06666667
4	C15 H19 O8 N1	342.11835	342.11896	0.06447121	342.11838	23916	31254	25666	26023	23546	16863	9933	26487	30956	26928	31662	18657	46603	12661	16470	24992	35659	40817	75964	31813	39920	37398	22233	28812	8537	10006	13284	9071	20201	19165	20277	21248	28669	17164	42548	19627	27896	16032	38973	30351	38191	22021	1106	545	733	25190	38537	615	25305	23519	24806	25469	22968	967	44296	35874	17548	22790	19215	29637	28074	21663	104984	39588	21003	31143	20360	30531	22520	13085	18047	20997	18069	21905	9737	18608	460	14136	18054	10598	15378	12683	11882	9729	38429	19261	14851	25036	25197	28643	11225	18111	34533	23078	23747	1177	25586	31453	25935	38127	36636	30166	15789	32176	21171	26646	25997	396	9615	118322	Phytochemical	0.53333336	1.2666667	0.06666667
12	C15 H19 O8 N1	342.11835	342.11887	0.08466498	342.11838	382518	408276	413984	414029	324283	285896	252870	392457	480957	594221	372044	249743	553556	157207	297943	353729	334575	704874	682462	688269	783936	627840	348418	368308	183333	254745	192316	248456	370889	325565	332408	371156	505148	334711	830961	348492	486945	272345	356238	694666	642912	322983	10281	1632	1625	398897	418858	1224	372987	339346	420398	391298	352390	2391	870563	369273	217496	348618	423495	367046	407178	570154	600117	552527	162344	453903	311069	348047	556620	487018	510690	331158	332855	355010	288298	306248	1082	282999	253791	267951	229987	262129	223034	255263	330097	253373	261436	277490	345537	342405	290014	503691	463055	400298	445813	3146	426747	492230	294481	278120	272712	489460	246214	411404	290223	357487	355175	1556	185552	756888	Phytochemical	0.53333336	1.2666667	0.06666667
2	C15 H19 O8 N1	342.11835	342.11902	0.10206441	342.11838	11397	11963	11296	11151	15021	14682	4025	10063	17118	11409	13342	7506	35219	6848	5445	1883	6159	24797	19565	11578	19641	18097	8989	8518	2228	2068	0	4857	10916	6447	11075	9254	18141	10482	18944	8991	10858	6478	5379	14028	12046	11460	476	0	563	7118	7372	0	10894	6512	10541	11076	15743	447	41076	11736	6182	12199	6350	5626	3037	6159	75092	23204	6453	24226	14735	8305	3783	6127	6158	12526	12799	6961	497	9688	463	6056	5587	0	5538	3739	3722	3361	11545	5056	5234	15566	14614	7616	8498	10265	14512	7957	1447	544	10635	12551	10542	14789	13609	10464	6464	8811	4962	12940	8885	390	3645	78944	Phytochemical	0.53333336	1.2666667	0.06666667
8	C15 H19 O8 N1	342.11835	342.1189	0.09355685	342.11838	295223	308249	226460	300535	202351	160569	137221	258411	316665	450629	337854	214380	393096	85167	183417	292162	321237	376510	447904	465784	548434	439670	243534	293615	92431	135665	151733	181167	242262	211628	218401	268932	321298	229323	585502	240068	310026	171141	357021	447861	579486	240731	4114	741	948	289471	375932	579	283075	243938	302893	299485	228913	1535	514887	255652	162413	239354	256600	312027	299662	346649	424372	413353	141144	291379	213455	333049	280235	217939	359743	237864	230951	214343	208262	247921	626	184146	207915	183440	163915	170519	158639	170261	257885	140334	173581	238734	234333	280882	152335	270677	344753	314116	361947	1716	291731	312754	203451	215738	229870	349374	180946	346266	176426	254036	243482	606	127972	470219	Phytochemical	0.53333336	1.2666667	0.06666667
4	C14 H19 O7 N3	342.12958	342.13022	0.052827682	342.1296	17598	19677	17461	16396	13815	10046	8439	14689	21704	9745	11989	14802	26327	6192	13489	19342	32681	23420	28365	12669	17497	28717	20539	17434	5324	1106	11341	4019	10774	11488	13004	13737	18561	11942	17567	10350	17842	15307	43536	11439	21858	13997	0	0	0	10535	22015	0	16254	15129	17444	15600	14486	0	26126	16235	11940	17394	15697	20242	16413	10975	34477	23054	16415	20209	11894	34477	2744	2747	6429	10947	10491	11882	8621	9370	0	10040	14081	7084	12676	9128	7680	3418	20827	14106	13207	18508	17413	34792	10582	17770	43004	12445	9287	0	16682	20160	15003	21661	18056	20548	13859	18569	11459	20380	16218	0	10707	32054	Peptide	0.5	1.3571428	0.21428572
2	C14 H19 O7 N3	342.12958	342.13025	0.08111751	342.1296	18595	20047	18539	19398	23999	18740	8889	18927	28108	10835	14450	20168	39783	7226	13762	3328	22999	34305	32675	10603	24378	37322	18782	16747	6069	1014	0	6780	18331	9420	21169	16364	35839	18743	20277	14487	25918	12464	25162	13901	22504	22908	0	0	0	9550	14674	0	16510	13053	22936	22778	23617	0	29581	15432	12317	23581	9812	14005	7320	8104	54955	33990	16022	39661	25940	33706	3703	3631	7364	17591	18242	12382	1164	13963	0	13263	16572	7801	11559	7381	7061	3210	20623	12341	15973	32536	24285	43692	10625	22413	45059	14537	2336	0	25498	20969	14810	21264	18300	20102	17047	13118	8884	30043	14686	0	11890	55911	Peptide	0.5	1.3571428	0.21428572
8	C14 H19 O7 N3	342.12958	342.1301	-0.010774613	342.12958	26287	30037	24369	29429	15772	12821	13809	31610	23295	17584	18199	24316	25084	7685	29015	32483	32256	29573	36251	19802	19827	44290	29916	36206	15497	1041	17310	8425	24816	26029	27388	27691	32302	24800	20930	24017	39604	24518	39915	18766	24889	24027	0	0	0	25034	31957	0	33267	26946	29621	27704	20383	0	29791	15069	17440	34077	24377	28376	39848	14582	30569	30484	17306	23633	19794	39858	3553	7297	7041	26367	24069	23429	24729	23370	0	20126	22114	13317	20141	12648	14501	5957	16157	16358	25706	23200	24883	50202	16021	40048	62541	16953	19219	0	28302	28667	13725	13445	12545	35511	21849	30371	12817	41852	14182	0	16010	36543	Peptide	0.5	1.3571428	0.21428572
6	C14 H19 O7 N3	342.12958	342.13016	0.055017088	342.1296	93448	97532	86072	91384	65072	52206	51572	91248	84692	118350	84472	62208	91650	33506	79362	102582	106804	114846	126758	129178	161674	129866	81390	97040	41349	126682	37624	65512	65150	62034	73304	80396	111752	67368	139662	71906	102402	68724	123542	74438	119454	66888	0	0	0	81448	111782	0	86222	77438	99978	88268	71876	0	104788	49248	48932	101520	63422	76530	107628	62714	107594	81286	51622	92466	85048	128938	125628	162402	220764	66024	68966	51488	76151	57514	0	52082	68004	45144	52134	40976	36234	43212	69812	60298	70968	80156	71288	204698	69044	106392	208150	75598	97926	0	96696	91612	44938	49364	59304	106616	63266	93314	32410	97456	57666	0	48724	135658	Peptide	0.5	1.3571428	0.21428572
8	C19 H19 O5 N1	342.1336	342.13412	-0.006863937	342.1336	22948	22285	18059	22870	12873	9962	6083	8709	14777	69579	46304	5121	15232	12051	7309	14805	12704	12236	18992	72356	82155	28372	9076	12137	8523	107041	6575	38927	9619	7516	8600	10284	12170	10701	79359	3918	13234	6870	16414	48213	51106	10245	0	0	0	31860	41351	0	13068	8107	16941	23821	12979	0	16646	9061	6189	12643	3016	8999	15027	23981	12620	10961	6540	15701	12038	12478	98452	132235	167663	7462	6970	5341	7518	9683	0	6331	14739	27265	9641	11934	5259	32876	9179	4954	13086	10047	9985	18439	18031	9945	18771	32499	54934	0	23069	19910	13720	10544	11396	12123	5568	13922	10143	9470	9737	0	8594	14108	Phytochemical	0.2631579	1.0	0.05263158
22	C19 H19 O5 N1	342.1336	342.13403	0.12472705	342.13364	16742	17543	18343	19232	10595	7709	4643	3951	8542	51540	58754	5630	8166	8524	6663	9882	7177	12211	6912	39541	40498	29952	7829	12345	5475	67898	2843	50662	5361	3534	5018	7114	9545	5864	43235	4602	8919	5861	7850	39097	63050	7068	0	0	380	26391	49802	0	7275	4021	17300	17023	12487	377	8474	7957	9500	8938	9543	11118	7127	31112	8776	6730	5348	11135	11544	8729	77154	62537	104821	5954	4373	2075	6082	4127	358	3220	14296	42129	5067	22120	7301	36155	12354	7907	9609	10748	7317	16052	16849	12410	10356	40260	44281	0	17603	18159	8559	6676	12137	10225	5774	11234	24600	9112	4927	0	8021	11688	Phytochemical	0.2631579	1.0	0.05263158
12	C19 H19 O5 N1	342.1336	342.1341	-0.006385279	342.1336	26916	23462	30341	29820	16641	10753	12904	12863	18023	80351	69103	8826	18995	12605	12301	17316	22407	17019	23495	97588	105838	43666	15160	19884	13690	144657	10892	48648	12494	8895	13724	10202	22016	12272	95201	10616	18570	11693	19450	64599	85338	12436	503	0	0	31562	47903	0	15165	9537	24348	25977	14495	0	17533	12912	8083	18811	5520	19149	0	41010	18688	16162	6011	22004	15450	17174	129582	182316	224126	11154	9658	10628	10786	10773	0	7685	20232	23412	12706	21513	12567	42239	15796	7351	21184	14253	14834	38874	21414	19399	23579	39631	48976	0	24426	22106	16729	12622	11369	13096	9563	17348	25082	15969	9901	0	15527	16594	Phytochemical	0.2631579	1.0	0.05263158
18	C19 H19 O5 N1	342.1336	342.13403	0.05766274	342.1336	56013	41689	53717	44750	23553	22704	15357	19079	23172	136065	137618	13818	25319	20375	14134	31147	31223	31686	40621	117093	129894	72777	25667	40274	21472	215444	16552	114404	20166	14195	18488	22575	37262	24982	102823	14804	31313	11110	28693	114211	162804	27131	1287	307	442	56293	72337	0	21078	20055	50727	48356	26724	628	25035	20470	12006	34929	20644	38186	30677	72936	37796	21849	16583	32348	31109	31940	205904	233082	313857	23628	15139	12608	18761	23582	0	16518	26471	87584	22645	40474	22492	91211	24758	15976	31436	33504	29115	51056	48563	59907	53442	77415	102058	505	51404	38908	20889	20549	22402	29411	10723	30725	31494	33997	17824	326	28702	29929	Phytochemical	0.2631579	1.0	0.05263158
20	C19 H19 O5 N1	342.1336	342.13403	0.081844844	342.13364	32838	35959	35487	37959	23283	18386	11903	13272	17516	106964	110972	7734	25928	18170	8650	19701	21318	26822	26243	80731	110019	63519	14163	31397	16377	162973	11290	90254	16617	12910	16906	21184	21809	15988	91337	11343	21837	8228	17832	92559	134327	19238	1356	0	344	55391	68447	646	17034	15151	35733	42403	20699	264	19189	15350	14755	22663	19064	24921	23975	59292	22567	12641	11694	20861	27040	18332	163428	158936	236860	13860	12430	7337	9890	14685	335	10522	20479	64808	15279	36081	17620	69362	20149	13512	20075	27640	17377	47492	40310	48996	33841	89108	73406	1064	36404	34974	15925	20221	19499	23294	7731	31409	35351	27163	14396	0	17303	31650	Phytochemical	0.2631579	1.0	0.05263158
24	C19 H19 O5 N1	342.1336	342.134	0.142454	342.13364	5381	5367	3136	4784	2209	1953	0	1157	2256	13668	17644	1260	0	1868	1981	3237	1757	2744	3827	10602	16568	8710	3428	3650	2316	13113	1243	18506	2105	1833	1159	1462	3571	1645	14130	1971	1695	1711	2291	13325	27361	1231	0	0	0	10472	17620	0	968	0	3968	3547	2411	0	4137	1328	1712	1902	2066	2997	1839	11435	4160	1511	0	4747	1843	0	15835	15969	29641	1906	2045	1976	0	1340	0	1454	1114	13693	976	7384	1323	11279	1975	0	2435	2604	3200	4496	5150	5099	3693	11524	13080	0	6447	4786	2279	2760	2341	3165	2833	4555	7635	3102	2395	0	905	2047	Phytochemical	0.2631579	1.0	0.05263158
16	C19 H19 O5 N1	342.1336	342.13406	0.05965373	342.1336	50317	44397	46968	46163	34642	23754	19373	19844	30411	131080	100862	13732	26639	27955	15174	37581	32010	36780	41919	120446	131271	70974	24091	37801	17718	212365	20384	94143	22909	21409	18583	20913	33858	16482	119028	18722	30225	14075	28351	110457	142292	24532	925	0	0	61584	68691	0	30066	21547	43581	48864	28521	0	22966	14064	15525	31255	11858	26219	27639	57664	33543	27625	15401	29142	29847	35995	201515	237092	322589	19180	16859	13616	24056	21299	0	16476	39215	73528	23278	44535	22494	72591	29649	20732	37560	28801	23923	58522	58182	49443	50623	68688	90580	0	50730	43541	22916	23399	25043	28708	14874	34887	26971	33252	21218	0	28824	31484	Phytochemical	0.2631579	1.0	0.05263158
4	C19 H19 O5 N1	342.1336	342.13422	0.027159983	342.1336	4731	3694	3096	3051	2919	2679	966	2337	3204	7839	5789	780	2476	1898	2158	2374	3170	3723	4391	7975	9896	3628	2748	3159	2005	21166	1979	3540	1780	1721	1164	2123	2253	1359	10423	1471	2964	2275	3363	5562	8221	1604	0	0	0	5143	9805	0	1696	1913	3628	2331	2558	0	3739	2616	1498	2100	552	2351	3155	4254	2893	2800	1217	2959	2879	2190	21196	17914	25784	1635	1245	2538	2097	1904	0	1592	2678	4036	2199	4177	1141	4473	0	2017	3053	2058	1502	2886	2725	1794	3437	5211	7171	611	3113	3321	2019	2861	3140	3044	2162	3161	6033	2267	2625	0	1820	3125	Phytochemical	0.2631579	1.0	0.05263158
14	C19 H19 O5 N1	342.1336	342.13406	0.028545119	342.1336	30250	38690	34563	45087	23741	14887	17265	16419	23820	91007	75044	15101	21321	15286	13479	31439	29107	26480	25701	84914	122034	48866	14648	21146	17833	181967	12195	72951	18103	16380	12228	11553	21119	14364	85619	19455	22046	13338	27578	85346	110969	16259	0	0	253	42106	60556	0	21677	14914	30881	34990	19806	0	19494	13075	14988	25300	13940	24673	20399	46711	25803	20670	11734	22919	18417	30506	172927	208101	252712	12884	14641	11444	15146	12410	0	12353	29015	51824	18072	28485	16443	55570	25883	9361	28801	17281	16706	51671	32064	27619	48013	48738	78400	560	30911	34332	18622	16879	15069	26397	9967	24977	0	23781	13192	0	19239	24265	Phytochemical	0.2631579	1.0	0.05263158
20	C16 H23 O5 N1 S1	342.13696	342.13742	0.123081684	342.13702	6174	5784	8568	5945	6575	17291	3595	4384	3908	20682	13666	5951	4338	3056	4553	3616	9754	6535	2326	23023	22256	13493	2445	7858	3541	11005	4685	11947	4797	4158	5464	4412	7212	8423	18134	4996	10057	2048	10165	25510	28493	4110	0	0	0	10850	6588	0	4178	6231	5484	8400	3907	0	3377	5067	2205	6056	10789	8277	5711	19095	2431	2738	3460	5507	3630	8075	11881	16626	9291	5292	4847	5208	5564	5682	0	4258	3551	13158	2316	9113	7883	15150	2629	2236	2916	0	1707	8143	31323	39954	6509	15155	22142	0	8174	7647	4762	1890	2390	12197	1722	13268	12236	4676	5502	0	5250	2763	Organosulfur	0.3125	1.4375	0.0625
10	C12 H23 O10 N1	342.13947	342.14	0.16345294	342.13953	8884	6747	8599	4412	237092	50201	0	0	10490	0	0	0	54272	329700	1911	0	0	10894	13273	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1914	0	0	0	0	0	0	0	45586	2904	2513	1484	0	0	2470	0	0	5066	7406	123616	2034	3765	16655	35297	0	0	0	0	0	5040	4799	27643	40773	74445	0	0	0	0	0	0	0	0	0	879	1439	0	0	0	0	0	0	21749	12468	0	3829	5337	0	0	0	0	1367	0	2035	9170	12436	19725	7098	6568	0	0	0	0	0	183111	2618	0	9186	A-Sugar	0.8333333	1.9166666	0.083333336
2	C12 H23 O10 N1	342.13947	342.14	-0.2169369	342.1394	8289	5931	4210	6881	923	44481	7652	1293	6247	482	2507	7690	2075	1885	6439	853	2824	8489	7086	3302	747	17932	6337	7174	1583	481	0	1376	9775	4651	2822	1643	9952	5764	6236	5779	7742	4434	3446	3407	9082	0	210	0	0	2970	3027	0	7115	3654	5484	2457	2173	0	7261	3380	3148	14837	3084	875	2816	2051	2121	1567	0	9824	7081	11991	947	1691	2065	6869	2425	6287	0	6003	0	5149	6749	0	3590	1718	1908	974	4586	4817	7501	8157	6928	13712	8094	5018	16680	7198	1310	0	6238	6126	3416	5916	6359	5181	6238	5332	2347	9226	1790	0	3521	3433	A-Sugar	0.8333333	1.9166666	0.083333336
0	C12 H23 O10 N1	342.13947	342.14035	0.19478258	342.13953	0	0	0	0	2098	137308	0	0	0	0	0	0	3647	6729	0	0	1142	0	2638	0	0	0	2078	0	0	0	0	0	3026	0	0	0	5052	3734	0	0	2693	0	1359	0	0	7353	0	0	0	0	0	0	1798	0	0	0	1762	0	1732	0	0	3179	466	0	0	0	5118	0	1276	2816	0	2450	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2621	0	0	0	2853	3159	3383	0	4201	0	0	0	2057	2794	712	918	0	0	0	0	0	3021	1018	0	0	7223	A-Sugar	0.8333333	1.9166666	0.083333336
8	C12 H23 O10 N1	342.13947	342.13998	-0.14618316	342.13943	0	0	0	0	0	16571	0	4329	1793	0	0	0	0	0	51101	9652	0	0	0	0	0	0	0	0	997	0	0	0	0	0	0	0	0	0	0	0	0	14240	0	0	0	1828	788	811	592	0	0	532	0	0	0	0	1223	638	0	0	2129	0	0	0	0	0	0	0	0	2430	0	0	7686	0	0	0	0	0	0	0	333	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	748	0	0	0	0	0	0	0	0	0	0	0	866	0	1674	A-Sugar	0.8333333	1.9166666	0.083333336
8	C18 H19 O4 N3	342.14484	342.14542	0.1291927	342.14487	8337	9380	7290	11239	4027	5310	6761	8926	2458	11997	8767	6876	3167	2067	7482	11248	9724	4313	6151	13022	15317	11468	8582	11149	9119	13165	5021	9610	9656	5899	6997	9278	11775	8628	13197	7147	11892	7080	11409	16025	19668	5659	0	0	0	13375	13237	0	12170	7800	9006	7145	4713	0	4081	2198	4587	8157	3151	7719	10929	8574	2709	3101	4043	4170	5327	17246	11325	15046	20438	6892	8165	5843	8409	7572	0	5090	11749	11842	9129	5414	5175	12889	2213	0	11388	7362	4423	24769	13772	0	22700	8453	12044	0	10384	10987	1763	2173	2294	9497	5467	8966	0	11707	2701	0	9456	3255	Peptide	0.22222222	1.0555556	0.16666667
4	C16 H23 O7 N1	342.15472	342.15536	0.03809702	342.15475	104492	100330	88246	92988	67176	29671	34712	102588	84636	66111	33646	60978	150016	20376	63874	85350	90972	104252	107264	72946	155290	147392	71732	92640	39912	20478	20657	19589	51447	82072	83666	42288	109374	34046	187272	90364	103318	54124	117306	65408	127118	34280	1513	784	1067	52731	63364	1003	64722	43317	89190	83616	65058	1499	118680	39502	40480	89594	100588	50032	101346	41524	134494	47762	18211	99052	62748	44755	37041	39659	39457	76692	73216	85946	20160	106998	855	57786	51736	27469	48528	57806	64682	20654	83074	48982	47520	52288	72422	67012	52116	120830	119204	39016	53570	1996	89058	113346	28482	39188	77022	105176	54658	77491	34202	81008	60986	914	38748	160374	Lipid	0.4375	1.4375	0.0625
6	C16 H23 O7 N1	342.15472	342.1553	0.014209776	342.15472	258634	258290	238584	241388	131628	63468	130580	312830	169156	170944	88131	147410	256500	36601	187256	285764	206198	241994	265960	360706	210717	327354	203858	293878	117168	72440	118052	59932	420192	259626	253152	290156	306562	269934	430260	291610	285058	153290	229432	130805	142264	162266	2046	713	1321	146380	149245	697	464800	248080	252196	251312	143538	1257	257422	76455	43877	263582	253028	243366	146804	95003	248346	89937	38740	188978	178822	228674	93436	113012	122635	272330	228884	245266	62320	333566	745	154824	79808	50685	72003	79706	86617	56825	79759	61594	71260	149282	203310	117210	90579	138748	312904	171554	130612	1257	248242	240624	49622	62783	83819	281524	142476	381138	68950	219906	127080	518	108016	306032	Lipid	0.4375	1.4375	0.0625
2	C16 H23 O7 N1	342.15472	342.1554	0.040065717	342.15475	40623	40873	35004	74602	63178	38771	18161	91256	33818	87340	30284	53752	118410	16687	49250	14386	62490	97822	90338	40841	144612	105578	58306	65406	12688	8611	6465	23108	120648	27951	92692	42500	124956	85938	134016	37912	101246	39416	69290	45169	86634	36051	651	334	1028	53654	57612	525	47332	28341	37475	73508	67812	752	48668	44884	29222	77868	53268	54388	19888	43180	115922	91338	16264	99120	69302	80654	18703	54010	30274	41921	39733	36304	8211	87502	502	53676	40078	10715	38716	16186	15882	12665	57000	31190	38188	59722	73306	66700	34055	93042	101304	54220	17049	1133	74866	79642	20600	29318	50522	32498	52464	78188	38176	79062	22592	484	28900	143596	Lipid	0.4375	1.4375	0.0625
18	C16 H23 O7 N1	342.15472	342.15515	0.059541937	342.15475	216845	214942	222317	186458	242494	185881	132046	224824	191620	220227	145922	144761	386554	131312	163680	256650	196592	351554	324928	316794	299833	180626	215386	246773	136517	355380	115901	123034	225875	196847	160604	185867	224213	201806	188595	211653	243356	136372	171078	257049	249748	191857	9826	3158	3436	181431	212284	3041	208234	201712	200486	198327	193723	3534	355020	249988	137409	210195	139021	146013	263622	191345	251259	232049	103249	238092	173988	175189	360310	335053	369704	200207	164522	194296	181524	194141	2922	139845	204861	141110	161186	123519	130243	162876	264968	153949	171345	180237	170976	155907	200084	208994	246925	122571	229417	4158	218657	240956	157938	205370	262401	264085	116541	235370	108536	156732	202118	3580	133317	274728	Lipid	0.4375	1.4375	0.0625
26	C13 H27 O7 N1 S1	342.1581	342.1591	-0.26440644	342.15802	0	0	0	0	0	0	0	0	0	9397	0	0	0	0	0	0	0	0	0	0	98327	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32477	0	0	7080	0	0	0	0	3084	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	284912	0	0	0	0	0	Organosulfur	0.53846157	2.0769231	0.07692308
12	C15 H23 O6 N3	342.16595	342.16638	-0.123773456	342.16592	8513	11122	9887	8868	5418	6165	14219	12356	5579	3796	0	6624	5096	3562	13585	13827	11671	6084	11947	5953	4709	13779	11745	14287	15183	1415	7456	0	14029	10313	13124	14016	11499	11342	4659	15579	19309	9727	10894	4808	0	6116	0	0	0	5889	0	0	12485	15310	11602	8396	5969	1571	6691	2033	2781	17572	4682	9093	0	2978	4432	5655	3841	7234	4129	10509	0	1770	1652	9518	11397	16477	7512	11879	0	9668	9325	33039	7994	4029	7744	1895	4433	4380	17304	5243	7896	25774	21393	22046	32186	3977	5271	0	14906	8744	3403	1497	3714	13161	9594	6703	0	13679	5197	0	12320	9218	Peptide	0.4	1.5333333	0.2
4	C15 H23 O6 N3	342.16595	342.1666	0.01590549	342.16595	42270	44404	43438	42014	24525	25061	29691	51548	36298	28109	18909	27868	46315	13888	43782	52301	58193	42024	44330	33221	29407	61261	43468	60696	32223	7938	33652	18384	38447	32936	39337	41399	57539	33922	41310	41289	50266	37964	66327	28943	22896	27695	0	0	0	35554	27689	0	47045	42078	42429	39972	27381	0	52574	22839	21097	51877	38751	25186	52293	18788	42576	34258	18075	37058	23992	60795	10149	16313	13935	35023	30463	38150	28582	27377	0	30915	37279	40900	32805	18907	26357	11671	38989	28558	42424	28593	29906	67168	128259	96573	95648	24048	28404	0	39504	47203	25756	29513	26766	47778	29912	49296	20281	46986	33572	0	35713	52478	Peptide	0.4	1.5333333	0.2
2	C15 H23 O6 N3	342.16595	342.1666	0.02075162	342.16595	52981	54072	47493	48889	31690	44567	32564	54676	38961	21104	23729	40753	52488	18784	44608	23940	65939	52843	54938	24748	34754	59608	45928	46876	22249	4526	13686	40565	60865	31651	53569	48118	82940	46780	38944	46388	64343	37657	79955	24935	26044	35843	224	0	0	24964	21990	0	52990	33100	49281	48976	37911	0	52037	19986	21239	59771	28875	26067	29394	13764	50674	41293	20617	55192	48968	95009	7249	13158	13788	46287	48156	39993	14803	42652	0	36998	36125	65344	32484	15403	20354	8667	28488	23865	42894	47924	45601	106519	261281	183002	108430	32718	13240	0	53504	53368	22660	21283	23449	49794	36723	38933	14993	64034	25061	0	32318	64604	Peptide	0.4	1.5333333	0.2
14	C20 H23 O4 N1	342.16998	342.1704	-0.059973955	342.16995	27878	23392	18490	22432	10447	9283	8606	15466	9248	42293	53918	12126	4892	8388	10656	20521	23456	7327	9786	72831	68344	18460	10288	23543	13464	111682	11238	47879	13395	16013	10913	16205	22509	13688	52712	14280	20454	10711	16153	40408	61234	9887	0	0	0	19043	36436	0	19415	16235	21655	21665	12112	0	5468	5159	4924	22450	0	20184	0	23441	3944	4102	5980	8530	11380	22646	62446	127052	138597	13457	12804	12191	14072	10209	0	11954	12672	19921	12277	7254	8402	31255	4308	6164	20198	8874	12528	43255	26807	10735	37054	21000	34911	0	22060	14761	8841	4216	5223	17743	10450	12634	0	21144	5516	0	15477	3902	Phytochemical	0.2	1.15	0.05
24	C20 H23 O4 N1	342.16998	342.17038	0.065744385	342.17	10160	8229	8019	6018	7788	5009	2447	6304	2330	19380	27143	3269	4384	4222	3295	8058	3296	5633	3196	14523	16766	6650	3920	10244	4294	34543	3403	23443	5916	6011	6172	5292	6863	9728	12271	5456	5868	2488	2586	16694	26250	4763	0	0	0	10237	18754	0	6002	1562	8747	6287	4064	0	1885	3673	3758	7537	5976	8693	6897	12378	3263	2823	2140	6892	6512	4445	31930	17569	37116	7012	5162	4381	2872	4698	0	3418	4575	14864	3213	6411	5288	16325	4066	0	6672	6522	6345	11680	8449	9261	12527	14075	8766	0	5944	10559	5126	4137	5185	5530	4237	6567	8142	7164	7377	0	4492	4223	Phytochemical	0.2	1.15	0.05
6	C20 H23 O4 N1	342.16998	342.1705	-0.08190089	342.16995	11571	14073	12835	13248	2695	5226	7461	16088	3017	31998	19143	8886	1889	4203	6573	15588	10382	4775	9557	36542	44993	9372	7707	16358	7917	54306	8394	16793	13306	11464	15374	13584	16153	15296	34439	12570	14063	8633	12029	20119	14946	4992	0	0	0	13907	21088	0	16738	13260	15259	12249	4471	0	3877	1681	2948	15074	0	2562	12667	9996	2823	2496	2207	4591	6189	16401	34058	56849	63047	13430	13909	13430	12941	13973	0	8289	9413	11956	8371	1659	2022	14108	1725	2514	9954	6725	7129	17870	8851	3351	21334	11945	26901	0	12926	9538	2592	1608	1160	17434	6387	11560	8201	11082	2558	0	8273	3321	Phytochemical	0.2	1.15	0.05
22	C20 H23 O4 N1	342.16998	342.1704	0.08113227	342.17	24777	28652	21940	25910	20364	15420	9831	19121	11270	37745	50671	12752	9573	12515	9723	25172	19351	12920	14615	49795	55590	35348	13192	28650	12902	99180	7546	54877	20814	19500	12065	17256	24637	21870	33263	22345	20963	9439	14381	42291	80812	14732	0	0	701	30079	39439	0	19842	15175	26663	31653	18280	459	12582	6763	8164	18530	13381	20902	23963	29917	7978	10673	7648	19528	17693	19155	106759	85353	116448	16703	19942	13423	10676	17322	0	13107	16849	38857	10351	22376	15122	38075	15933	13701	16318	20865	13542	29558	29811	29816	30577	32899	35277	0	20612	24122	13602	13086	11402	28120	8358	29272	18150	23697	12256	0	15817	13541	Phytochemical	0.2	1.15	0.05
18	C20 H23 O4 N1	342.16998	342.1704	0.027270494	342.16998	31407	30073	36205	29397	12419	12999	13880	15744	5917	73811	66211	17705	7336	12074	13326	33142	29693	18417	17890	86707	95982	42438	14149	27438	10405	136020	15880	63265	20866	16313	17289	22930	24299	22771	48469	17877	21350	9901	30206	67020	106327	14814	375	0	0	24369	42210	0	28960	19112	27900	32063	16991	0	8395	8853	8288	28790	9334	30143	21982	45147	13210	5406	9440	14974	16923	40724	136924	133622	207293	16618	14408	11720	22136	18174	0	8623	21166	39706	15962	18343	17947	48613	12844	9858	22669	19151	12302	52997	42548	34413	42785	39638	52234	0	39081	33797	9997	8391	9618	32344	15366	26805	18899	22821	7593	0	22018	7106	Phytochemical	0.2	1.15	0.05
8	C20 H23 O4 N1	342.16998	342.1705	-0.048824858	342.16998	19256	19848	12565	19045	14003	9775	6189	16433	6185	50946	34854	7835	3782	4740	7850	16553	13037	6281	11790	64562	65284	13242	9252	19715	8029	86942	8590	36621	12990	11616	13832	15015	14077	16571	48400	13023	17807	8116	14063	33959	22417	9854	0	0	0	15396	29424	0	18334	14697	16124	15322	6559	0	5391	2460	5410	16040	0	5890	11207	13628	5005	5704	2557	6961	9996	17874	50895	83221	107921	17257	12821	11920	15854	12227	0	8740	10178	17924	8314	3180	1858	28243	3751	4106	9412	7900	6933	26451	18321	0	23195	18521	46712	0	18837	16068	5990	1778	3380	16573	8251	12173	9810	15164	3883	0	8677	4689	Phytochemical	0.2	1.15	0.05
16	C20 H23 O4 N1	342.16998	342.1704	-0.005103562	342.16998	23749	22430	17229	26890	11389	9454	11530	11476	12196	59913	43344	7379	6508	9446	9516	22991	20071	6767	12258	71739	60514	27615	11454	20712	13374	120744	8892	43506	14133	11472	12956	12316	25855	13005	40771	12912	18903	9560	27832	47328	61955	7856	0	0	0	17279	26949	0	15475	18624	19538	21838	12717	0	6879	6848	7678	19108	5405	24683	15177	25892	11081	4273	6610	14413	12927	29850	96470	114011	149011	11833	13872	8955	17121	12357	0	8085	20775	25640	12515	15724	11020	34324	8761	7342	17688	14232	10516	49123	21246	23111	0	26517	42450	0	22273	23213	8925	7492	8479	15885	10390	17038	11141	15002	5560	0	15895	6886	Phytochemical	0.2	1.15	0.05
20	C20 H23 O4 N1	342.16998	342.1704	0.0673422	342.17	37865	36117	36229	28352	20271	18409	13460	22593	18301	65866	75669	16760	6683	16210	13698	39852	30638	18517	24664	86905	101360	47174	17360	30165	19135	162519	13727	79681	20528	22366	17569	20846	25939	25450	57504	23172	25131	9832	34404	82790	117309	16563	721	0	0	38026	53321	0	25181	18319	30504	30002	16348	298	9801	11555	11800	28114	16991	30468	26463	45551	10388	11773	7728	15386	26716	31012	131886	147968	209367	24676	19991	18064	24356	22374	0	14322	24995	56153	14867	24804	21811	65047	13804	9701	23563	24527	19482	49607	47386	34427	57800	51573	55197	0	40139	35101	17787	15278	11028	26366	17272	36081	24289	27847	13450	0	25207	14166	Phytochemical	0.2	1.15	0.05
10	C13 H27 O9 N1	342.17587	342.1763	-0.08637026	342.17584	201027	215010	198811	198101	119489	72782	22297	4523	19201	36890	157701	6361	70947	212639	6979	5892	3256	8280	22003	10932	9521	7584	6101	6691	11162	42351	28233	391893	5664	6234	5013	8331	6394	6548	31575	6095	3600	8024	3242	153772	8654	28737	23310	13596	12575	259620	38751	21727	4649	5765	208274	205275	32216	13958	73015	8183	174184	8542	496984	6799	36649	274061	104229	39593	215082	374935	368823	3886	77337	92775	89831	5407	4688	5119	1498	5079	14792	4626	8960	233137	11685	54886	11054	9007	72512	133223	10037	20348	21685	4015	80476	64187	6378	45983	20487	14827	163985	214963	65185	16507	57189	4660	5964	27223	0	3296	73827	21395	11890	21155	A-Sugar	0.6923077	2.0769231	0.07692308
12	C13 H27 O9 N1	342.17587	342.17633	-0.011585598	342.17584	15813	7838	33239	16794	19980	22097	6615	4768	7261	5141	27303	8796	19965	74190	5808	0	4944	4770	4587	0	4069	0	3898	0	11807	74656	2769	123562	2954	2040	6792	0	4898	5967	3311	3428	0	6475	7267	9329	8984	8601	21528	16980	10240	49739	10477	20468	5651	4150	17814	10695	15282	11847	25377	7728	34230	5025	290857	10609	0	88787	16460	13093	86846	32486	142329	7589	38291	40751	14864	4932	4984	4314	0	5797	8956	9491	8291	158906	9352	18222	9355	9450	26330	93571	5881	11343	9067	0	5085	11521	0	16655	2336	14936	28213	15466	13720	11175	14340	0	10007	7410	1784236	5541	27639	25817	10342	8405	A-Sugar	0.6923077	2.0769231	0.07692308
18	C17 H27 O6 N1	342.1911	342.19153	0.024253795	342.19113	324594	278643	322160	274532	279172	254132	266112	367679	228501	268245	190512	218576	377195	179883	331651	475656	326066	464968	532293	479190	439361	252943	357822	415651	285194	414303	251579	199080	428618	367483	268121	348052	384428	393795	253300	407557	423286	227412	309816	289133	277429	317076	17945	1948	1721	275071	248337	1877	370171	308788	332067	310590	281015	3684	393943	287058	181468	379690	209910	214584	425221	194698	283077	282671	156342	335921	290536	307974	342063	369084	397779	289640	287799	343584	345162	322525	1355	217962	298556	208820	224158	167350	249259	211299	289864	228792	310876	295358	297158	282525	344476	379528	456774	176554	307895	2866	304840	369126	217557	210264	298053	497925	197658	420828	151865	290114	239074	1543	248949	270478	Lipid	0.3529412	1.5882353	0.05882353
14	C16 H27 O5 N3	342.20236	342.20276	-0.06420773	342.20233	0	3432	3000	4186	1853	4346	0	2914	0	0	0	0	1719	0	2882	2617	3643	0	1523	0	0	0	1702	2914	3563	0	2189	10906	4293	0	5258	0	6606	8404	0	4670	6077	1406	6948	0	0	2282	0	0	0	0	0	0	4875	1775	3358	2973	1214	0	0	0	0	4349	0	0	0	0	0	0	0	2059	1433	5542	0	0	0	3211	3545	3864	2788	2644	0	1945	0	49067	0	0	0	0	0	0	1783	0	3779	0	115706	38434	9229	2442	0	0	1643	8207	0	0	0	4218	0	1929	0	2428	0	0	0	1889	Peptide	0.3125	1.6875	0.1875
18	C16 H27 O5 N3	342.20236	342.2026	-0.17457095	342.2023	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2010	1962	0	0	2796	0	1343	0	0	2053	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2048	0	0	0	0	0	0	0	0	0	0	0	0	0	1254	0	0	1371	0	0	0	0	2028	0	0	0	0	0	0	0	0	0	0	24944	8472	3766	0	0	0	0	0	0	0	0	1550	0	0	0	0	0	0	0	0	Peptide	0.3125	1.6875	0.1875
16	C16 H27 O5 N3	342.20236	342.20273	0.07384588	342.20236	2884	1936	0	2361	0	0	1335	0	0	0	0	0	0	0	0	3351	4096	1930	0	0	0	0	0	3310	2040	0	1254	0	1582	0	0	0	3898	3371	0	1733	0	0	1798	0	0	1218	0	0	0	0	0	0	0	0	1608	0	0	0	0	0	0	3792	0	0	0	0	0	0	0	0	0	4343	0	0	0	2166	0	1994	0	0	0	0	0	5026	0	0	0	0	0	0	1855	1201	0	0	54274	17423	0	0	0	0	1956	0	0	0	0	3181	0	1983	0	0	0	0	1701	0	Peptide	0.3125	1.6875	0.1875
2	C16 H27 O5 N3	342.20236	342.20297	-0.044269785	342.20233	15671	12039	14077	11400	7495	0	10507	21572	6968	4970	3603	9492	10585	4202	14894	14803	11795	9576	12621	7456	7914	11485	11781	17139	14728	2324	4638	5441	21729	11882	16016	17764	22347	17220	8014	19188	18710	10691	11347	5320	4333	10327	0	0	0	6779	3597	0	17404	12323	12457	13839	7454	0	10833	2986	4250	24527	3402	2471	15626	2724	7589	8457	4255	10455	11357	16749	2538	5051	3838	12136	14161	15835	8740	12694	0	9269	11239	17783	7775	2155	3493	3227	5601	6298	15703	6893	9847	25644	25432	28325	35833	5545	4360	0	12396	14604	5939	3187	5286	17312	9123	7687	2428	18101	6204	0	10525	10261	Peptide	0.3125	1.6875	0.1875
6	C16 H27 O5 N3	342.20236	342.20288	-0.03642887	342.20233	16769	17112	15699	17509	6424	6634	11207	16931	6022	7511	6138	8337	8339	3076	16017	22105	11579	11524	13859	10955	7843	19412	11574	25521	19477	2037	10223	21493	22433	14794	19176	22591	27341	15596	9885	18644	26087	13316	15943	6745	4547	6316	0	0	0	10478	5521	0	23733	15469	19547	19236	7777	0	7513	2365	5034	27905	2074	1408	22281	3210	7272	4921	2370	7281	9915	16059	3004	6306	0	13812	15773	17868	12507	14190	0	9655	11151	45080	6555	1489	4266	3135	4525	5064	15091	6435	11134	25491	260735	137891	44604	14376	9626	0	16886	18152	2528	2159	3611	21740	10590	16033	0	21662	3259	0	12335	12270	Peptide	0.3125	1.6875	0.1875
10	C16 H27 O5 N3	342.20236	342.20282	-0.020978278	342.20233	12212	9309	11306	7856	3130	3905	6647	7586	2712	4071	4855	4458	2659	0	8011	10072	9226	2760	3979	5092	1697	7013	4301	12630	8983	1329	8264	13135	12940	5706	6799	14486	12841	12807	5398	12540	16151	6014	9397	0	1770	6498	0	0	0	3373	1898	0	10207	5455	10074	12105	3155	0	4398	1328	2782	10349	0	0	10985	1066	3662	2167	1429	5225	7342	11305	0	0	0	7123	10733	9118	8299	9046	0	4576	4884	66005	4251	1855	1781	1808	1813	3077	7575	4088	5938	15416	261208	101299	15658	11387	4459	0	11209	9377	1460	1719	2141	12010	4299	8465	0	9433	1334	0	9775	6086	Peptide	0.3125	1.6875	0.1875
4	C16 H27 O5 N3	342.20236	342.20297	-0.001119034	342.20236	12061	13640	11628	11397	8217	7120	8111	13960	9056	7269	3765	5694	11802	3199	11757	16893	7208	10866	12932	7521	9047	16413	9613	14239	15571	11783	8080	11475	11694	7708	9495	13785	15569	9341	8765	12794	13674	9256	9472	6681	6099	5718	0	0	0	7712	4504	0	13959	9450	13057	11288	6810	0	14583	4236	4372	17606	3233	1411	13538	4451	10342	8380	2614	9639	7042	9388	7749	8937	11045	8174	8803	9228	6910	8726	0	6838	9621	89424	6563	3525	4311	3340	7723	5107	12906	6694	8064	17327	125805	55599	29393	9376	7549	0	12583	13557	5579	4428	6786	12617	6847	11183	3788	12957	5382	0	7397	12423	Peptide	0.3125	1.6875	0.1875
12	C16 H27 O5 N3	342.20236	342.20282	-0.03189985	342.20233	2093	2767	3331	3133	1957	1807	4538	3410	1617	1522	0	2257	2269	0	1897	3383	7383	1653	1990	0	2523	0	1880	2343	3270	0	2067	0	6196	1939	4397	5058	7068	8829	2744	4303	6717	2667	8649	0	0	2452	0	0	0	1867	0	0	6745	2205	3762	2179	1640	0	1389	0	0	6191	0	0	0	0	1798	0	0	1665	2212	10652	0	2361	0	2621	4448	3885	2866	4779	0	3241	2508	31066	0	0	1268	0	0	1078	2408	1002	3554	7075	119333	65738	7282	5156	1311	0	3379	2856	0	0	0	3157	1341	0	0	6720	1981	0	4575	0	Peptide	0.3125	1.6875	0.1875
18	C21 H27 O3 N1	342.20636	342.20676	0.065366775	342.2064	2969	1832	2762	4520	0	0	2913	0	0	0	6698	3203	0	0	1598	2061	4346	0	2323	3142	5661	2937	1347	3331	2705	17963	2225	4669	0	2043	2908	2238	3509	0	5689	2559	1901	2874	5981	4366	13832	0	0	0	0	0	4033	0	2359	3041	2334	2405	2027	0	0	0	981	2162	0	2588	0	1996	0	0	1773	0	2154	6969	12459	14511	20282	1953	0	2435	3313	0	0	0	3310	7097	1322	0	1307	3243	0	0	3422	2495	2066	12861	6474	0	3818	3681	6537	0	3318	1653	0	0	0	2911	1760	2168	2601	2057	1468	0	2768	0	Phytochemical	0.14285715	1.2857143	0.04761905
8	C21 H27 O3 N1	342.20636	342.20688	-0.022824306	342.20636	11426	10516	9628	6643	924	4605	10759	19853	0	23208	15941	9622	0	1442	8771	17868	14993	842	2575	28334	24476	1761	7113	15982	8810	17753	13662	20175	13621	17343	17120	19251	17577	16539	17652	15883	17832	9236	16412	11348	877	4903	0	0	0	5998	7967	0	21898	18146	11072	11896	1382	0	0	630	2043	13791	0	0	13648	4298	0	0	2397	959	5168	26282	12683	20195	23034	17689	14919	15518	20921	12392	0	7516	5317	6143	7339	0	0	7603	0	0	5009	6509	6066	32583	0	0	20051	7647	19012	0	10631	11293	0	0	0	18327	7990	3996	0	13345	0	0	6621	0	Phytochemical	0.14285715	1.2857143	0.04761905
24	C21 H27 O3 N1	342.20636	342.20676	0.0462215	342.2064	9609	8513	8467	5814	6381	4260	2245	10308	2953	11527	16351	5141	1704	4719	3544	12694	9504	3296	7066	12760	15452	12291	3126	9259	5465	36294	2802	19182	9262	10116	10288	10720	13438	12051	8487	11730	11779	2271	7939	12464	24568	7309	0	0	0	10170	8750	0	16703	8501	9092	8480	5635	0	2098	3421	2825	12191	5488	9057	9534	8203	2204	2560	1699	7119	11469	6272	33133	17447	36279	10500	8996	8708	9508	8866	0	3795	7252	10129	2996	10675	6407	14535	3805	0	6279	5963	6628	21468	14898	19721	17783	10416	10013	0	11734	10321	4986	3885	5733	15996	6352	13460	9544	12203	4100	0	7723	4173	Phytochemical	0.14285715	1.2857143	0.04761905
6	C21 H27 O3 N1	342.20636	342.20688	-0.102462575	342.20633	6209	5417	7329	6137	0	2126	3724	14397	0	13045	5620	5325	0	523	6898	17834	9409	792	968	14472	10673	1806	6939	14977	6318	8156	6377	6220	10354	10901	10885	13677	11813	11391	9715	13848	12192	6976	8961	4186	676	2907	0	0	0	3515	3671	0	19053	13775	5812	5695	1012	0	0	0	1417	8750	0	0	10241	2559	0	0	1195	0	2587	14739	4282	6372	7051	13225	11547	13024	12043	8921	0	5908	4307	0	4440	0	0	5514	0	0	3278	3465	1932	20229	0	0	19772	3400	11506	0	6897	5497	0	0	0	11077	5695	4643	0	10203	0	0	5919	0	Phytochemical	0.14285715	1.2857143	0.04761905
26	C21 H27 O3 N1	342.20636	342.20673	0.09000566	342.2064	2839	0	4946	3316	0	29603	0	0	0	2245	8659	0	0	0	0	0	0	0	0	6880	0	1970	0	0	0	12286	0	9793	5154	0	0	0	3587	3674	4757	0	2001	0	0	6130	8843	8482	0	0	0	0	0	0	3784	0	3241	3769	2983	0	0	0	0	0	0	0	0	2762	0	0	0	1393	3357	3530	12575	4736	12529	0	0	0	0	2838	0	0	2495	0	0	0	2248	7776	0	0	2211	2382	0	6250	4900	2813	0	3943	0	0	3428	0	0	0	0	7078	0	0	0	2954	0	0	0	0	Phytochemical	0.14285715	1.2857143	0.04761905
14	C21 H27 O3 N1	342.20636	342.20676	0.016343907	342.2064	2098	2933	2501	3208	0	1578	0	2055	0	8918	10856	2104	0	1586	1132	2985	1764	0	0	15636	11968	4192	0	0	3356	30263	1876	8549	1597	2553	1602	0	3609	4300	8090	2124	2748	1385	2422	4897	0	1216	0	0	0	1578	0	0	4190	3085	3323	3378	1988	0	0	0	619	3210	0	0	0	0	0	0	683	0	1897	4266	0	25801	24136	4357	2683	1349	2399	1033	0	1387	1846	0	0	0	0	4825	0	0	2006	0	1345	9184	5530	0	5908	2426	5311	0	2626	2945	0	0	0	0	2386	0	0	2534	0	0	2557	0	Phytochemical	0.14285715	1.2857143	0.04761905
20	C21 H27 O3 N1	342.20636	342.20676	0.045543652	342.2064	5617	7482	7099	5509	2219	2788	3101	5721	0	9249	11281	3790	0	0	5259	8879	12467	0	2582	13165	8496	4301	2900	10516	4379	33388	4247	8366	3436	6574	3205	5762	7371	4107	4174	4935	4419	2615	12246	9528	21307	2347	0	0	0	4558	6740	0	5694	6564	6299	6795	3554	0	0	1439	2200	7883	0	9599	9724	4173	0	0	1156	1649	5153	11724	22022	14117	36190	2540	5523	6247	10970	5224	0	3623	1606	12549	3917	2313	5016	0	1422	2188	5652	4840	2118	29790	7139	7298	9169	6890	5926	0	5097	3629	2226	0	0	4495	3592	6813	4058	7180	1290	0	5106	0	Phytochemical	0.14285715	1.2857143	0.04761905
22	C21 H27 O3 N1	342.20636	342.20676	0.02518625	342.2064	8604	8701	6380	13094	4252	3716	4286	6477	1716	9992	17856	4951	0	0	3494	11163	16208	0	3762	13445	13118	7700	2014	10526	5567	46002	6338	13043	12046	8464	3740	15058	9803	19072	3595	17052	9321	3422	22219	14734	24728	6861	0	0	0	6544	12872	0	9410	10005	10619	8899	6376	0	0	0	1866	6091	7746	12050	11633	8987	1651	2181	2970	3561	6544	22655	33789	23183	42679	7937	7098	6257	12141	9564	0	3864	7569	14187	6558	9377	7538	9118	4145	2756	7361	9907	9604	28047	12838	10770	15819	14191	11782	0	8814	11979	3556	2048	2684	13223	2624	13196	5653	9838	3024	0	7189	0	Phytochemical	0.14285715	1.2857143	0.04761905
10	C21 H27 O3 N1	342.20636	342.20682	-0.11184681	342.20633	7718	9299	7072	9081	888	3373	8424	30142	0	22674	18628	6248	0	1796	4996	22178	11792	0	1591	38447	30883	1976	3861	14110	7526	42780	10638	21470	9453	8958	12709	11115	13399	7964	19134	8479	14250	3478	7031	10322	2076	2308	0	0	0	4486	5635	0	12124	26912	8375	9351	2409	0	0	0	1137	11157	0	0	15026	1949	0	0	1657	1313	3472	13870	22873	36383	45070	12603	10585	10374	9674	7839	0	10619	1972	5881	2699	0	0	10086	0	602	3737	4373	3069	28881	8251	0	22974	6052	21829	0	6751	8472	0	0	0	13603	7038	2245	0	15501	0	0	2551	0	Phytochemical	0.14285715	1.2857143	0.04761905
12	C21 H27 O3 N1	342.20636	342.20682	-0.041786622	342.20636	8399	8410	8652	8905	4104	4301	8902	9439	1600	19634	14338	7765	1098	2292	3694	21724	7506	2070	3137	27104	27181	0	3680	14671	3748	42577	16414	19011	8049	12646	19411	8549	10775	6036	22289	6961	11272	5271	8561	5659	0	1208	0	0	0	4572	0	0	12466	7191	6928	6918	1737	0	1816	0	1929	19579	0	0	20095	0	1417	0	2421	0	2999	12698	22822	49201	39113	7811	5546	7652	9781	8844	0	7198	2665	0	2963	0	0	9569	2149	0	1889	2847	5915	26235	9508	0	22424	3185	12584	0	7281	8493	0	1019	951	12047	7951	0	0	11571	0	0	3864	1279	Phytochemical	0.14285715	1.2857143	0.04761905
24	C18 H31 O3 N1 S1	342.20975	342.20993	0.1824974	342.2098	0	0	1461	0	0	0	29768	0	0	0	0	4743	0	0	0	0	0	0	0	0	0	0	0	0	2220	0	62290	2994	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2707	0	0	1071	0	0	1511	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1863	7453	0	0	1130	0	0	3275	0	Organosulfur	0.16666667	1.7222222	0.055555556
8	C14 H31 O8 N1	342.21225	342.21286	0.028009038	342.21225	10757	14294	0	10661	0	786	2722	2846	1218	17784	30139	0	1641	0	946	1990	2258	1679	0	42164	6044	16753	833	6122	1106	3704	6777	80327	857	1824	0	1325	0	0	4126	0	0	0	0	25694	9742	1234	7993	697	1955	62148	128011	760	2156	1144	10132	11719	0	4986	942	1197	1360	1962	25121	11973	27064	39882	1920	0	0	1321	1113	1708	94902	49919	197380	0	797	2065	0	0	2689	658	1210	146232	0	4832	1759	1409	1931	0	832	1216	964	0	17713	21385	2775	18442	66926	1031	10077	13444	6002	727	0	1468	641	45167	285347	0	0	888	0	0	Lipid	0.5714286	2.2142856	0.071428575
10	C14 H31 O8 N1	342.21225	342.21274	-0.05666248	342.21222	15795	14708	16528	19127	2164	1089	10946	1657	2818	12111	38626	0	3029	4101	1963	5942	5652	2447	0	44149	10777	14380	1446	5284	2352	8620	37249	246960	1680	2933	0	1052	0	0	2279	2673	0	1284	3073	19131	41240	2403	6970	2241	4504	61880	236182	2622	1216	2827	12359	15241	1338	7089	2342	2508	2230	3825	8543	48987	22017	59378	3271	1148	2186	3280	1917	11000	220429	62378	441169	0	0	3012	3151	1323	5544	0	1619	387252	2001	8531	2173	2272	1799	3454	2298	2694	0	6384	19889	29875	2140	34746	89859	1213	18640	20394	6952	1599	4591	2181	0	47107	67831	0	1471	2462	1796	0	Lipid	0.5714286	2.2142856	0.071428575
12	C14 H31 O8 N1	342.21225	342.2127	-0.023870219	342.21225	691941	665000	688431	573827	8564	3391	6117	5352	2639	51106	574109	3384	13012	4076	3414	4020	9031	9351	0	38842	57474	25874	4189	8254	2742	3432	7556	73057	2966	5194	3216	2461	3457	1857	12810	5506	3757	2623	4681	661306	41578	5311	13878	4300	4918	705066	147458	4974	5463	6924	661565	697298	5953	15142	3957	2275	7719	22366	4363304	26520	91313	2510724	92500	2739	15414	27590	17537	20871	34721	55903	33547	5806	0	7266	1664	3687	8226	2913	1791	104017	2058	8443	2601	4215	6112	18854	1479	10683	2375	5843	72388	45567	18436	167395	36485	3389	639070	915267	8589	3339	5519	8019	3741	51295	111823481	6683	3509	4729	2448	19637	Lipid	0.5714286	2.2142856	0.071428575
14	C14 H31 O8 N1	342.21225	342.2128	-0.030112047	342.21222	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1983	0	0	0	0	0	0	2452	0	0	0	0	0	0	0	0	0	0	0	0	1184	0	0	0	1094	1513	2874	0	1316	0	0	0	0	0	2400	0	0	816	0	5721	0	0	1691	0	0	0	0	0	0	0	2192	1389	0	0	0	0	0	1973	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2119	0	0	0	907	1520	0	0	0	0	0	0	3128	139994	0	0	1288	0	0	Lipid	0.5714286	2.2142856	0.071428575
4	C18 H31 O5 N1	342.2275	342.22812	-0.027383247	342.22748	12147	13050	12677	13616	1241	3522	11142	23529	1382	7005	3765	10241	1299	1781	9697	20856	21363	4518	5003	7897	8635	14563	8199	16576	14630	2622	10886	3594	20108	14511	16727	17057	16222	13219	10283	16251	16724	7913	24219	6813	4673	4748	0	0	0	6758	7089	0	25399	18846	13069	12092	4206	0	2320	769	2294	25354	511	1202	19347	3967	1612	2463	2131	5789	5728	26192	1556	4380	3904	16519	14388	15085	17640	12863	0	11232	12788	8271	8568	3079	4196	4559	1285	3058	21383	5800	6423	24932	38678	22932	23654	5916	14064	0	13431	13157	1609	947	849	19692	9959	19885	3660	12930	1267	0	14041	1926	Lipid	0.2777778	1.7222222	0.055555556
12	C18 H31 O5 N1	342.2275	342.22794	-0.040382992	342.22748	3312	5215	4017	5526	1983	3636	6824	16037	2375	4154	3232	7645	1830	2807	7958	12540	8298	3712	5276	3041	2884	7070	5412	7665	11805	3236	4610	0	14743	10042	11144	14381	14394	12307	4538	14243	11028	6115	10656	5554	0	4152	0	0	0	4796	3153	0	17188	5604	7483	5850	3790	215	2447	0	1469	24790	0	0	0	2098	2146	3195	1373	6812	4864	17742	0	5095	3102	11832	11810	11967	5159	11086	0	7857	5370	0	3485	1268	1377	2528	0	2786	17267	4623	7410	21691	24138	11350	13894	0	6370	0	5784	7626	0	1739	2483	7631	5698	3699	0	10395	1531	0	5525	3812	Lipid	0.2777778	1.7222222	0.055555556
2	C18 H31 O5 N1	342.2275	342.22815	-0.044858195	342.22748	10024	10356	9828	9477	565	0	9473	16980	504	6026	2764	9292	0	420	8763	16636	14781	1433	1760	7672	7550	10232	8206	13018	7666	1294	10398	2146	14120	15102	11481	14829	12371	12620	6632	16601	12322	7054	17891	4846	4753	8134	0	0	0	5655	5329	0	17642	15793	8387	7879	2133	0	620	258	1553	18353	1588	1876	14064	1973	412	544	0	902	5586	21016	1162	3054	2215	15258	11415	16915	14931	14669	0	8357	9126	4519	6659	1877	3699	2284	458	1627	11475	2909	4608	18965	14775	10895	17767	5050	8384	0	10196	9872	0	0	476	11382	8222	13802	2632	10342	279	0	11197	404	Lipid	0.2777778	1.7222222	0.055555556
8	C18 H31 O5 N1	342.2275	342.228	-0.0261496	342.22748	16846	15217	13860	15601	5052	4290	20542	27153	2350	8943	4862	13167	4294	2916	11340	25758	14809	5346	8796	18843	12412	15124	9211	15964	17863	2873	24049	7295	19986	19940	20209	22782	22310	17375	19820	23742	26034	9972	16006	9161	3908	5733	0	0	0	9031	4342	0	26549	19186	13734	19313	4303	0	4624	1591	3706	32877	0	0	27325	2836	3442	2419	3915	6417	7238	17509	3752	8441	5350	22979	14751	18085	12974	16858	0	13909	8458	7855	5238	1375	1468	4761	1319	0	56639	5425	6936	39111	70486	41018	26430	5662	8907	0	13922	12900	2928	2193	0	24449	11070	14378	0	13306	0	0	11544	7606	Lipid	0.2777778	1.7222222	0.055555556
24	C18 H31 O5 N1	342.2275	342.22787	0.045657508	342.2275	38537	34274	43335	43783	42482	48644	292586	30207	51470	43695	21795	15942	57844	48829	33006	47572	25677	61686	64823	40406	35484	31300	23749	38770	32233	43353	110570	40761	40697	37930	20937	38300	49909	33351	31444	44357	56158	21911	24827	27488	28554	36648	13977	0	0	29017	36204	0	42071	37853	36203	38334	37208	10657	68668	38143	24787	48321	26677	43270	47960	15897	50328	30120	27196	70724	53369	28892	14800	16527	17881	27192	22321	23373	25166	41432	0	16914	26840	35693	17428	21692	42852	78697	32229	30125	36724	32118	39115	43418	81252	67079	71797	19639	47460	3115	41379	44521	96915	24646	33951	51198	16691	41401	38939	34584	45756	0	27993	41633	Lipid	0.2777778	1.7222222	0.055555556
18	C18 H31 O5 N1	342.2275	342.2279	0.022546079	342.2275	23044	18461	21232	20248	22276	19583	72500	26055	7591	7679	13886	18294	19002	21150	15725	37237	56182	23803	26475	15515	23569	16050	17973	25767	16569	29649	67024	9531	37288	31358	18958	36019	28983	22400	4890	33780	31146	14264	50277	7740	15962	26947	2743	0	0	15296	16757	0	37694	33848	27520	30479	14940	2465	10730	15184	14694	27589	6515	30744	36343	4389	21645	12282	13021	22144	21744	54084	12955	12345	14781	19384	21054	33329	44619	30105	0	12776	24681	20778	12644	10258	79343	70419	19177	16433	32700	23131	22017	44426	38627	28860	24974	12415	23570	0	25874	21673	14805	20666	32982	41733	11597	27200	7512	33167	14030	0	17886	15666	Lipid	0.2777778	1.7222222	0.055555556
10	C18 H31 O5 N1	342.2275	342.22797	-0.041950714	342.22748	10526	13509	12042	13966	3101	5220	11661	18070	1224	7250	2954	19281	2913	1769	12982	16682	11392	3413	5809	10530	6728	8735	6140	10950	12774	3017	11384	3758	22448	21773	18483	24126	25530	16807	13383	22617	24601	11503	16577	4813	1784	3316	688	0	0	6055	1906	0	24936	12173	12137	8991	5533	0	2533	782	2527	21874	0	0	17949	1063	2477	2575	2218	2987	4877	17911	0	9419	4688	15722	17373	29075	16433	20857	0	18453	6640	4823	5082	981	1362	2717	863	2488	19738	12129	7708	38109	40628	10898	18363	4922	6370	0	11038	9633	1751	1179	1679	19832	15232	10731	0	12927	2190	0	8650	3556	Lipid	0.2777778	1.7222222	0.055555556
20	C18 H31 O5 N1	342.2275	342.2279	0.038036667	342.2275	51314	45490	47207	49514	45591	41650	132342	64903	27688	29874	24875	40027	43721	61277	44591	88880	87412	53368	72715	50149	39030	33579	32813	42738	37244	36986	112292	27068	81446	81260	47452	66971	69236	59521	30985	80783	72145	34416	72414	21322	32730	75585	9726	715	0	33822	41972	777	67489	80927	46507	48490	39505	4550	36599	38663	26366	70001	21450	52997	74606	13541	33603	32687	44603	70404	58085	89700	18512	18537	32190	38366	59093	86341	83992	74247	351	41246	44258	45136	20011	18700	89413	63649	39620	33577	52302	52496	51014	106004	79940	53602	45803	29926	41503	822	46840	57492	30107	35554	57688	92032	31530	49441	27283	50271	34379	0	35031	46283	Lipid	0.2777778	1.7222222	0.055555556
16	C18 H31 O5 N1	342.2275	342.22794	0.03848508	342.2275	12885	9308	13439	13304	4805	11821	11995	10402	2588	9804	1435	8755	5473	6564	10655	29117	27911	8314	10181	10396	8999	8964	9639	14541	11767	4915	12513	5338	17220	19466	11126	17360	20590	14650	8622	17932	16559	5050	23146	4364	6412	17645	1685	0	0	11243	15891	823	28310	29997	10171	12518	5428	3143	4327	7862	6168	20412	3427	19882	17305	1281	11105	4081	5836	13982	10916	34376	3746	4657	4944	11787	12357	15627	25772	20259	0	8088	13597	9003	9932	4387	12530	7331	6363	6134	17552	15633	6836	35585	35219	14540	0	6298	18998	670	9463	11795	5486	6333	13277	11129	7384	10818	3725	18467	6132	597	13152	17634	Lipid	0.2777778	1.7222222	0.055555556
6	C18 H31 O5 N1	342.2275	342.22806	-0.05971121	342.22748	13455	14288	12656	13673	2949	4681	13281	23236	2542	8794	4289	8618	3149	2445	11422	20241	12286	4495	5570	12131	9975	17878	9281	17675	18669	4683	8300	4141	23281	20776	20284	22566	23709	15773	16784	21088	18139	10612	15746	5718	3406	6483	0	0	0	7901	5299	0	30127	18042	13717	12041	5276	0	4755	1270	3041	33036	910	0	25449	2188	2004	2527	1953	4399	9896	13773	2871	12622	6035	18007	15195	19398	12403	13967	0	9640	8451	5617	4657	1508	1799	4430	2101	3390	29270	3540	5167	34983	50633	25132	28364	8295	11900	0	13418	11562	1599	1306	1954	20216	11715	16516	0	17484	1383	0	13166	4074	Lipid	0.2777778	1.7222222	0.055555556
6	C17 H31 O4 N3	342.23874	342.23914	0.055605143	342.23874	2262	1918	2511	1836	575	1793	588	917	0	0	942	0	0	0	0	1894	0	0	0	0	0	1072	585	1744	1392	0	892	12962	2908	0	600	714	1803	1268	0	1385	0	1081	0	0	0	0	0	0	0	0	0	0	1464	0	2644	1598	605	0	0	0	0	3000	0	0	2275	0	0	0	504	0	0	0	0	0	0	0	0	643	0	0	0	473	1432	55515	0	0	0	0	0	0	4053	1001	0	3446	103930	40884	5861	4033	0	0	2340	2050	0	0	0	0	0	0	0	2078	0	0	657	0	Peptide	0.23529412	1.8235294	0.1764706
12	C17 H31 O4 N3	342.23874	342.23898	-0.31562707	342.23862	2470	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2413	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34005	0	0	0	0	0	0	0	0	0	0	204235	54388	0	0	0	0	0	0	0	0	0	0	0	0	19834	0	0	0	1250	0	Peptide	0.23529412	1.8235294	0.1764706
10	C17 H31 O4 N3	342.23874	342.23904	-0.0947046	342.2387	6750	3855	3826	5487	0	0	0	0	0	1189	2311	0	0	0	0	0	0	0	0	0	0	1947	0	0	8539	0	0	10982	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1430	0	4651	4085	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1011	0	0	2906	35633	0	0	0	0	0	642	1745	0	0	19432	496578	224420	2504	11082	4402	0	5825	2197	0	0	0	0	0	0	0	0	0	0	9534	0	Peptide	0.23529412	1.8235294	0.1764706
8	C17 H31 O4 N3	342.23874	342.2392	0.002793242	342.23874	45716	45736	37821	48983	3805	21877	1259	2565	0	3698	32891	1851	2226	1865	2024	5670	2305	5517	0	1059	1482	6776	890	2516	3457	0	2096	220236	3014	1646	4235	3788	5871	4671	0	2065	4823	1069	2360	0	0	11394	587	0	0	0	1996	0	6292	3072	48229	46396	2430	0	1218	0	0	5867	0	0	0	0	1839	0	5063	1746	2966	2085	0	2216	0	2442	2492	1758	9088	1650	0	1523	962	2317748	812	0	0	0	0	0	2986	3569	3301	4827	3032933	1034411	3235	245364	34295	0	44525	43094	4026	843	0	1650	1744	0	0	3824	0	0	1399	1627	Peptide	0.23529412	1.8235294	0.1764706
10	C22 H31 O2 N1	342.24277	342.2432	-0.020608163	342.24274	1312	1015	967	989	0	0	0	1763	0	0	0	1316	0	0	857	4816	0	0	0	0	0	0	1352	4279	2266	0	0	0	1821	1839	1964	3531	2553	2058	0	2693	2829	1177	0	0	0	0	0	0	0	0	0	0	2822	2282	1674	1187	0	0	0	0	0	3304	0	0	0	0	0	0	0	0	0	3878	0	0	0	3599	2352	4951	4335	3076	0	1347	0	0	875	0	0	0	0	0	0	0	1205	38198	0	0	6204	0	1480	0	1349	0	0	0	0	4677	0	0	0	2889	0	0	0	0	Lipid	0.09090909	1.4090909	0.045454547
22	C22 H31 O2 N1	342.24277	342.243	-0.28293437	342.24265	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1568	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1334	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1503	0	0	0	0	0	0	0	6871	0	0	21918	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.09090909	1.4090909	0.045454547
28	C19 H35 O4 N1	342.2639	342.26407	-0.009154977	342.2639	0	0	0	983	0	2258	967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	979	1354	0	0	0	0	0	0	0	0	0	0	0	0	0	32860	0	0	0	0	0	0	0	0	0	0	22551	0	0	0	0	0	0	0	0	0	0	0	0	1287	2466	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1123	0	0	0	3721	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21052632	1.8421053	0.05263158
8	C19 H35 O4 N1	342.2639	342.26437	0.03216739	342.2639	3566	3074	2802	3351	0	0	11069	5824	0	1695	0	3134	0	0	1142	6466	4171	0	0	0	821	0	1921	23086	2507	0	10751	0	5053	6979	5764	8015	3889	7431	0	6784	5382	1593	8567	0	0	2737	0	0	0	3707	0	0	8183	4394	3158	2507	1165	0	0	0	0	4928	0	0	4610	0	0	0	0	1367	2906	6998	0	0	0	9943	9338	6804	9327	4613	0	3210	3919	0	2223	0	0	0	0	0	6153	1396	1064	6040	0	0	0	0	0	0	0	2466	0	0	0	6122	2513	0	0	3616	0	0	4750	0	Lipid	0.21052632	1.8421053	0.05263158
20	C19 H35 O4 N1	342.2639	342.26416	0.060923137	342.26392	0	2355	0	0	0	5812	0	0	0	0	0	0	0	1425	0	3465	0	0	0	0	0	0	0	0	0	0	0	0	0	5059	0	15455	8413	11953	0	0	0	0	0	0	0	3020	0	0	0	0	0	0	10249	12112	0	0	0	4458	0	0	0	0	0	946	0	0	0	0	0	1743	0	0	0	0	0	0	1625	2906	0	3574	0	0	0	0	0	0	0	0	0	0	0	36512	51854	2477	6148	0	5393	0	1936	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9121	Lipid	0.21052632	1.8421053	0.05263158
4	C19 H35 O4 N1	342.2639	342.26447	0.001757965	342.2639	13153	14929	12663	13191	0	3745	0	34829	281	2198	2137	18944	0	0	7109	39446	49523	1617	3565	2980	2758	3699	12534	34632	9069	0	21624	0	18681	28089	23964	28857	24985	22281	2440	32468	25474	9797	57994	0	0	12215	0	0	0	3159	0	0	35294	27970	13949	13101	6478	0	0	0	2078	24799	0	0	23923	0	0	267	2763	3010	11512	55468	0	0	0	17467	24951	26229	45774	27567	0	12055	29488	5796	26829	405	342	502	0	2355	24519	4387	10092	18506	1589	814	13961	1154	1035	0	12731	13058	0	0	0	27225	9667	3090	0	17631	0	0	26161	373	Lipid	0.21052632	1.8421053	0.05263158
6	C19 H35 O4 N1	342.2639	342.26443	0.018745419	342.2639	18819	15418	13421	17292	0	6651	23046	45988	0	0	3263	17597	0	0	7391	47137	76002	3694	7458	3383	2724	4733	16320	43778	10445	0	21417	0	31688	28831	26555	38140	30943	10281	4740	30538	33984	9941	72109	0	0	23873	0	0	0	6345	0	0	49763	29028	17491	20768	11155	0	0	0	4453	36408	0	0	35493	0	0	771	3858	5449	24905	83958	0	0	0	11218	14765	19972	53277	24122	0	14367	30693	8170	24874	708	0	0	0	4905	37530	11124	15344	33796	0	0	26593	1274	1383	0	15583	20215	0	0	0	33747	11805	4251	0	20519	0	0	25135	0	Lipid	0.21052632	1.8421053	0.05263158
14	C23 H35 O1 N1	342.27914	342.27945	0.15586269	342.2792	2202	0	1831	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10548	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2085	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	226703	0	0	2244	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2362	0	Lipid	0.04347826	1.5217391	0.04347826
24	C20 H39 O3 N1	342.30026	342.3006	0.10511647	342.3003	1833	0	1578	1805	0	2361	57302	0	0	0	0	3199	0	15863	0	0	0	0	1374	0	0	0	0	2910	15928	4278	40156	1238	0	0	0	0	0	0	0	0	0	0	0	0	0	4904	0	0	0	0	0	0	0	2651	0	0	0	0	0	2774	3148	2051	0	1103	2164	0	6113	0	14614	0	2289	0	19656	0	1265	0	0	0	0	2245	0	0	0	0	0	895	8254	11589	0	0	0	1386	1944	0	0	1507	0	0	0	0	1576	1563	2584	0	0	0	0	1716	3468	0	0	0	32196	1687	Lipid	0.15	1.95	0.05
16	C17 H10 O8	343.04483	343.0453	0.11212784	343.0449	12308	13604	10557	7808	28023	14164	4330	0	30952	17151	8357	5134	40228	14013	8948	5458	3881	35849	36269	4657	8702	21282	11108	6464	3347	1347	3855	2188	1587	1439	2101	0	3564	1240	15704	1724	9918	5837	2498	3310	5877	8730	898	0	0	5323	9312	709	2120	0	9880	14620	20833	0	28610	21093	13313	2181	3733	2446	0	3838	45616	27187	9825	33460	10205	5228	0	0	2070	0	1453	0	2056	1622	0	4434	19941	18316	13133	3591	1048	2537	35048	15823	17352	17718	13240	0	5201	5684	0	21056	19705	0	10284	8070	21599	30311	27959	7752	2929	0	0	0	19396	0	5252	47401	Phytochemical	0.47058824	0.5882353	0.0
22	C17 H10 O8	343.04483	343.04535	0.15240507	343.0449	4692	3677	5826	2140	14312	9299	4170	1869	11989	0	1402	1999	12618	4628	6637	4492	5486	21774	16870	0	2116	7766	4309	4110	1584	0	3025	0	2800	4303	1816	0	3772	1186	3829	1842	0	4315	4673	0	2165	6400	0	0	605	2158	2894	0	3106	2534	3556	4696	9772	545	10400	8224	7269	8150	1159	1583	2256	1176	22577	14948	5929	15417	6000	4136	0	0	0	0	2321	0	2082	0	645	3307	12712	0	8775	2094	0	0	18890	9560	8004	10460	9802	4206	0	0	0	6493	11811	0	2487	3611	7892	14123	13098	2425	2884	1616	0	3467	8800	0	5355	20960	Phytochemical	0.47058824	0.5882353	0.0
24	C17 H10 O8	343.04483	343.04523	0.026761852	343.04486	2195	3240	4453	2800	13207	3550	2197	0	9742	1764	0	915	16905	7115	0	2897	0	16648	16350	1777	0	4682	1704	1369	0	0	1436	0	0	0	1946	0	1556	0	2407	0	1475	1674	1754	0	0	2055	0	0	0	1258	1486	0	1084	0	2463	3623	7643	0	11001	7516	2700	1274	0	1408	1486	1325	24450	12140	1875	14871	3905	0	0	0	0	0	0	0	1943	0	0	0	9718	2444	5715	0	0	0	18516	7929	6221	6216	3530	0	0	0	1793	4703	4715	0	2697	3313	6025	11200	14289	2338	992	1660	0	1906	3403	0	1998	18307	Phytochemical	0.47058824	0.5882353	0.0
14	C17 H10 O8	343.04483	343.04535	0.123252705	343.0449	18974	9508	4085	9455	20674	10707	4431	0	20344	11001	10039	4856	26358	8052	3921	0	3528	25014	20541	12559	12389	22748	5177	0	2212	0	1265	0	0	0	1179	0	5396	0	19033	0	6199	5792	1469	3773	6015	6287	0	0	0	3425	9875	367	3529	1083	9003	7616	13386	0	27847	17677	12957	0	0	0	0	2540	38423	27340	8905	26318	9954	3116	0	0	1657	1921	0	0	3052	0	0	3540	12724	17146	10684	4948	0	1554	24382	11432	11281	13661	11426	10769	0	5815	4187	32229	18466	0	14612	11206	17924	24995	23570	5671	2466	0	0	3004	13248	0	2273	36150	Phytochemical	0.47058824	0.5882353	0.0
18	C17 H10 O8	343.04483	343.04532	0.13936025	343.0449	11127	10342	6492	9591	19404	19640	2619	0	22051	7567	4808	2836	44127	14394	6639	6699	7475	30793	31503	2514	2665	19170	10675	6057	3579	0	4264	3059	0	3132	0	0	7889	0	8997	2011	5229	5980	3572	3269	6244	9292	780	0	0	5303	4011	710	2813	0	11255	6567	18548	0	26561	21209	11271	5200	1911	4121	5750	3033	38952	25008	11528	28966	12572	4102	1386	0	0	1696	0	0	2744	0	570	4460	17228	11858	13623	4938	0	2441	31603	17498	12981	12441	12469	10746	0	5935	4345	18701	19170	451	10088	5199	14582	34435	32451	4632	4372	3849	3242	6208	15924	0	6276	33630	Phytochemical	0.47058824	0.5882353	0.0
20	C17 H10 O8	343.04483	343.04526	0.11460058	343.0449	7718	12073	5364	8331	19353	13637	4952	0	18703	3792	0	4373	24421	12685	4334	6558	6312	26164	26746	4245	2597	9037	8157	4580	1966	0	4243	0	5426	2307	3550	4491	10406	2060	1812	3447	8773	5655	7166	1816	3170	9576	735	693	505	0	0	1466	4625	1768	8595	5884	15700	488	14244	12734	8133	7480	1420	1926	4972	2335	35878	19545	11899	24871	13085	7803	0	0	0	3640	1934	0	3776	2261	471	3845	17103	6149	12429	2797	1127	0	24220	15528	12770	10807	15560	5821	0	2348	5084	11002	4645	741	7548	7885	10848	23041	27498	7288	4921	3089	0	4178	13666	0	6960	23275	Phytochemical	0.47058824	0.5882353	0.0
12	C14 H14 O8 S1	343.04822	343.04877	0.08280168	343.04825	4155	0	2933	4249	6494	4176	0	0	6051	17711	10418	0	11270	2314	0	0	0	7659	3896	6959	5873	16033	1341	0	0	1337	0	0	0	0	0	0	1634	0	20207	0	0	0	0	8808	23557	0	0	0	0	0	0	0	0	0	5666	4931	3588	0	4562	5191	1735	0	0	0	0	9083	6353	6323	2110	4699	1375	0	0	5589	7800	0	0	0	0	0	0	0	1221	16506	0	811	1309	2848	5204	2124	0	1414	3744	0	4650	7791	2017	34599	25861	0	4464	2225	4039	7337	4736	0	1014	0	0	0	6380	0	1067	8206	Organosulfur	0.5714286	1.0	0.0
14	C14 H14 O8 S1	343.04822	343.04868	0.030318528	343.04822	4312	4123	2771	4288	8969	5442	0	0	10221	14556	11135	0	20843	1629	0	0	0	13020	13004	5934	5471	25381	0	0	0	0	1195	0	0	0	0	0	0	0	17360	0	0	0	0	7259	8962	0	0	0	0	0	0	0	0	0	3588	3248	4162	0	7107	5721	2733	1928	0	0	0	5244	5522	8686	2686	9003	2483	0	0	4716	6584	0	0	0	0	0	0	0	0	17668	0	1527	0	1196	6295	3477	2392	2213	2900	0	5166	7151	0	29048	20743	0	5110	2695	4544	9392	4731	0	0	1960	0	0	5106	0	0	11780	Organosulfur	0.5714286	1.0	0.0
26	C16 H10 O7 N2	343.0561	343.05646	0.008296059	343.0561	3114	3913	2374	0	0	2354	0	0	0	2932	0	3809	0	0	0	0	6576	0	0	0	0	6769	0	0	0	0	0	0	0	0	0	0	0	0	1890	0	0	2745	11745	2619	4940	0	0	0	0	0	0	0	0	0	3318	3440	0	0	0	0	0	2102	0	0	0	0	3997	3070	0	2469	0	20599	0	0	0	0	0	0	6492	0	0	0	6098	0	8373	0	0	0	0	0	5729	3548	0	35481	1605	2378	4125	5984	6281	0	3229	0	0	0	0	4447	2661	0	0	4433	0	0	4533	3231	Phytochemical	0.4375	0.625	0.125
28	C16 H10 O7 N2	343.0561	343.0564	0.01503101	343.0561	3804	4330	6558	6122	1738	1862	3692	0	1709	3897	1095	2719	1680	0	4266	3820	26511	5534	3144	0	3664	4606	7281	3769	0	0	3385	0	2137	0	1949	2174	3543	2261	2869	0	3043	4721	32564	3871	9855	0	0	0	0	0	0	0	2330	2871	5703	5202	1567	0	3405	0	1145	3097	1722	4856	5230	1866	2726	2743	1510	1508	2618	26067	0	0	0	1340	2092	0	10676	1564	0	1837	11325	6680	7222	1046	2689	1089	0	0	11435	2739	1364	32119	2785	5744	10835	4667	6880	0	4779	4496	0	1728	0	2985	1286	2121	0	4651	0	0	6558	3767	Phytochemical	0.4375	0.625	0.125
6	C14 H14 O10	343.06598	343.06656	0.07768694	343.066	3956	7914	5503	6297	21412	5687	928	1340	25154	1635	3327	2125	39991	4536	1303	1625	0	17676	18611	3021	3935	3363	4668	1827	0	0	1066	0	829	1452	848	0	2627	807	3509	0	2948	933	0	0	1916	6247	0	0	0	0	0	0	0	941	6121	6014	11158	0	20697	31928	8000	3296	1255	1335	0	0	44775	26154	8360	28430	5934	1967	0	0	0	1075	720	0	0	0	0	1481	4153	0	2513	0	417	0	28276	7338	3333	9370	7384	1707	0	0	1749	5311	2772	0	4731	4139	14593	44553	35743	2188	1108	0	0	0	20037	0	1231	50749	Phytochemical	0.71428573	1.0	0.0
16	C14 H14 O10	343.06598	343.06644	0.2263397	343.06604	5077	0	4104	6383	17854	12446	0	1956	23269	0	3585	3667	48254	12458	2924	0	1530	23654	15799	0	0	4544	4795	1946	0	0	1394	0	0	0	2500	0	3569	0	1971	0	4721	5341	1859	2099	2563	5178	467	0	0	1331	0	543	1858	0	5464	6816	12572	0	22456	21150	7996	2033	0	1414	0	0	47298	29560	6434	23651	8954	2073	3671	0	2404	0	1463	0	0	0	0	2735	6013	0	2384	2226	0	1506	20330	7796	2563	4269	6797	0	0	2249	0	3789	1852	0	5326	4343	17279	18631	18480	1973	1975	1893	0	0	9520	0	0	54132	Phytochemical	0.71428573	1.0	0.0
10	C14 H14 O10	343.06598	343.06653	0.10581776	343.066	23173	23743	19892	19953	74552	37820	3729	4006	84035	8910	16064	10189	151407	24335	7507	5283	9486	77400	73575	4873	13628	22403	13429	3510	0	0	3787	0	3766	2093	3599	2732	12078	3790	16006	1923	10187	9726	4765	5903	14250	26437	0	0	0	2994	8365	0	2386	3298	21491	22182	42470	0	97148	91051	28003	4632	3908	6772	0	6484	153870	114607	21394	98879	25859	6568	0	0	3245	3385	5359	3090	6691	3745	0	8761	15400	10630	9214	2096	1520	0	79251	20112	13587	29825	28103	6211	0	5010	6670	25003	10169	0	22943	24702	60192	103914	93030	12126	9450	4141	0	6152	62356	0	3332	171602	Phytochemical	0.71428573	1.0	0.0
8	C14 H14 O10	343.06598	343.06656	0.14750277	343.066	15604	16989	13245	18986	49297	17608	2422	1265	51598	11135	14077	7211	106155	15673	3496	3014	8054	51029	50556	4977	13302	14285	10312	2948	0	0	2400	2138	1858	1430	2633	1960	8117	2302	13366	1750	8549	4937	6435	4009	9975	20200	0	0	0	2709	6273	0	3387	2344	15048	19304	32105	0	56964	69872	22887	2215	3235	6872	4517	4185	120945	80957	21985	67676	18469	6057	0	0	2666	2422	3399	896	4233	1660	0	4879	11678	7242	8122	1595	0	0	64631	13301	8928	26430	23763	5376	0	0	2630	22680	12906	0	15384	14757	50554	113395	83826	10937	4529	2498	0	5822	52235	0	1304	110394	Phytochemical	0.71428573	1.0	0.0
26	C11 H18 O10 S1	343.06934	343.06943	-0.33986378	343.0692	0	0	0	0	0	0	7176	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21582	0	5554	18742	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11696	23852	25111	3222	14408	0	10418	27537	14816	0	0	0	0	0	0	0	0	0	0	0	0	8909	32909	0	0	0	0	0	24370	0	17483	0	Organosulfur	0.90909094	1.6363636	0.0
24	C18 H14 O7	343.08124	343.0816	0.070069276	343.08127	14487	10498	13570	12394	16909	10796	3023	1692	18700	20036	13469	4345	30071	9333	4468	3040	5013	24627	17684	9877	9458	25121	7778	6421	3439	14450	2483	6936	0	1355	2884	1219	4345	1601	25778	2033	4838	5515	2964	12337	14749	5248	0	0	0	10663	14654	0	2199	1428	11363	7973	12670	0	19548	15195	9236	3748	3170	2937	4195	11802	32562	19685	7068	21963	8415	2677	14963	21650	25292	2621	0	0	2628	3678	0	2628	17005	22695	13748	10474	2664	8269	27186	10348	12248	5997	6706	6144	9822	5841	6329	28198	36325	0	11800	13395	17163	24461	22145	5533	3838	5182	6932	4199	14519	0	3892	27563	Phytochemical	0.3888889	0.7777778	0.0
12	C18 H14 O7	343.08124	343.08176	0.13358235	343.08127	35015	41926	42266	47879	40424	24794	15397	19849	43126	104023	76580	17643	53634	20697	21478	27805	21480	52454	61562	69783	77504	75748	28325	27928	11768	71022	18311	39519	13205	15487	18109	17828	31003	15002	135058	14942	23037	24132	21191	49804	74792	22983	1288	518	666	41020	61410	527	23253	13953	46138	45995	31561	474	44240	32719	26023	28784	19968	21089	22837	33950	70790	38742	18882	41941	29244	24561	91656	85617	121163	17799	15438	10937	14906	16239	346	17455	39837	43187	37322	37953	17364	29854	44758	26198	40761	24338	24046	29945	32334	34815	36494	69546	72799	1091	55786	38428	44379	44170	41444	29998	17479	21823	23011	24886	37723	0	19198	55929	Phytochemical	0.3888889	0.7777778	0.0
20	C18 H14 O7	343.08124	343.08163	0.09610112	343.08127	54612	57879	51212	49627	80366	50208	23226	19643	72122	117266	83248	17280	111733	60666	30746	31728	19665	103713	103063	89975	91161	91378	39575	35118	37681	85057	20927	59576	18332	13756	17782	17870	31154	21522	128687	13801	36027	23676	21160	71138	81949	35198	4362	1327	1607	58173	61193	2513	21761	13465	49147	57311	61346	1839	70207	59848	42778	33048	28781	18687	29163	50465	112504	76662	32738	89092	50422	23066	90003	88355	113157	16335	10446	8122	13764	15492	1116	18523	58742	92568	47904	47458	22773	61368	89845	56415	62448	45629	47828	33377	38365	41234	42122	110834	103298	3315	57101	59779	63036	77159	76636	28063	16828	29889	46412	33472	59624	1143	27709	115747	Phytochemical	0.3888889	0.7777778	0.0
22	C18 H14 O7	343.08124	343.08167	0.07255443	343.08127	23505	26755	20393	22536	43471	23168	8293	5624	44474	40292	27106	7883	50542	25992	15809	11614	10535	48629	39358	33899	33170	44363	21517	9809	8579	41520	9912	24284	6028	7277	9066	7993	11546	4782	52109	7172	11923	14581	7674	29210	33336	14521	2919	0	1573	28390	29324	0	7556	4458	27280	22082	21486	1554	32604	37032	15526	9382	6658	7920	11002	19913	56347	29316	16916	38655	17139	7029	33964	43981	51976	4910	5210	2452	4104	6659	1556	7081	30816	39845	28509	26814	6727	23050	48606	28834	29837	16998	22662	11695	16939	12140	9825	52184	66638	0	24777	24104	30569	42552	41511	10672	7800	9528	16454	14257	28147	0	13834	51636	Phytochemical	0.3888889	0.7777778	0.0
26	C18 H14 O7	343.08124	343.0816	0.070216656	343.08127	9183	6007	9324	7462	12528	5660	2132	0	14091	16516	6278	3640	18315	8028	0	0	0	22742	19079	8236	13140	18463	0	0	0	0	2297	3652	0	0	0	0	2934	0	21843	0	4578	3865	0	4830	10434	0	0	0	0	10107	8725	0	2103	0	6359	7034	5432	0	12187	9094	6785	3159	2818	0	0	4672	23375	10020	3771	13666	5417	5372	9289	13356	16854	0	0	0	0	0	0	0	9577	15344	10677	5431	0	5138	16012	6607	9012	5730	5889	5002	3698	5338	0	21883	26469	0	8772	9349	6296	13163	13614	0	0	0	0	3775	9546	0	2806	21248	Phytochemical	0.3888889	0.7777778	0.0
14	C18 H14 O7	343.08124	343.08176	0.15214695	343.08127	78575	75320	69526	74643	87145	46003	29405	33304	88266	209198	137993	32984	98729	42934	41499	38762	27239	106597	95862	133899	144555	152952	47006	39911	31496	140690	27601	98862	29358	23837	25084	29415	43783	24023	239833	25517	34251	38740	33364	92006	104519	41562	2715	619	729	67252	82823	1101	30079	25714	65845	62804	67668	675	84223	66005	45667	53771	37117	40761	36741	73993	118612	86090	46222	99344	46615	34068	156249	164573	191657	27177	22970	18713	19232	24360	462	24555	74615	89830	53429	65405	33243	65993	93833	55486	65307	53516	55231	66867	54702	47189	60743	133454	144482	1537	84540	67792	65053	90984	75473	35687	32032	46587	43773	39721	60585	618	32932	97170	Phytochemical	0.3888889	0.7777778	0.0
8	C18 H14 O7	343.08124	343.08188	0.25934964	343.08133	6848	8939	5325	7390	6281	4777	3196	2827	11870	17416	12818	3346	9036	4040	5027	6109	6404	7384	9454	14839	12352	15745	5404	5131	1872	8256	3450	3666	3387	2735	3161	5344	5855	3427	25337	3504	3985	4841	6974	8760	13607	3927	470	0	368	6311	13229	0	3438	3965	7614	9191	4441	345	11008	8139	6318	6606	3009	7051	7565	7851	15910	9067	4842	7453	5621	6177	17573	12845	28560	4043	3236	2790	3621	6949	252	4229	6978	3856	7361	5353	2510	4818	10128	5263	9018	7081	5958	10466	0	0	6207	10429	11395	368	9414	6693	11164	10997	12490	6289	5345	5229	0	4745	7630	0	3688	12398	Phytochemical	0.3888889	0.7777778	0.0
18	C18 H14 O7	343.08124	343.08167	0.12885955	343.08127	90652	88234	87441	78444	114973	76927	37350	34780	106391	214130	154843	29404	155187	70722	47784	60793	26893	153194	165614	164925	139045	179490	59853	50425	36260	142625	31686	112825	38049	25151	33434	27929	64260	31050	256545	17804	60534	38894	35578	124722	114922	49943	4002	853	1225	81930	103483	2280	38842	23939	89533	92583	86953	1642	125590	84727	54375	56095	41158	34151	49773	81994	155567	101856	47408	134503	73161	33164	145821	159663	183585	26979	21363	8678	21224	28416	1447	31678	100047	141257	71770	88322	35409	90271	119012	80723	85667	62562	78821	51687	81025	82422	85129	160490	213248	2366	93187	81427	91759	106254	106348	42730	27636	48394	56514	44968	72432	1451	44241	152504	Phytochemical	0.3888889	0.7777778	0.0
16	C18 H14 O7	343.08124	343.0817	0.124545105	343.08127	89589	95502	94725	94602	110458	71674	35634	43036	122437	240971	154157	35862	149419	63225	48661	59816	35483	153148	154446	180120	166909	169023	67086	55804	44308	160921	33933	110251	30633	25711	39820	38666	52593	30145	290672	29096	54087	51217	46929	119438	116991	50429	3767	892	1384	92279	99723	2017	43016	32139	98027	107347	88160	1130	103306	90288	58797	60813	45413	43888	58774	84335	164477	100553	50634	135925	71942	36456	166186	200622	222285	40180	28680	18367	28596	37899	786	32073	87449	160154	67427	95511	41310	91300	115600	66734	84908	64729	65637	65268	76194	85444	70778	167870	215380	2118	88258	83179	93015	101982	105361	57570	31007	47644	57375	57221	91515	989	45069	154568	Phytochemical	0.3888889	0.7777778	0.0
18	C15 H18 O7 S1	343.0846	343.08505	0.12989719	343.08466	15028	12523	10193	14714	18188	17189	4165	3372	10532	49456	12484	2784	29342	4744	3663	3202	3160	25631	18480	32115	24665	37659	4003	3704	6559	11711	2773	18018	4556	1347	4512	3635	3905	4373	52431	3188	8154	4128	4758	37394	11980	6795	322	0	0	11067	3931	0	2196	1814	11349	11625	14858	0	19603	13223	4802	6050	15161	4828	4688	29588	7993	9559	4308	13942	6939	5015	17009	26538	17490	2479	2063	1980	2244	0	0	2475	4313	15093	3714	8108	5437	20360	9600	8220	7573	6902	6554	5490	38416	51568	8238	24900	46808	0	8109	11425	10036	8862	8242	4948	2077	9326	6485	4323	5893	0	3894	22434	Organosulfur	0.46666667	1.2	0.0
14	C15 H18 O7 S1	343.0846	343.08514	0.22690195	343.0847	17260	37182	19172	15251	19410	17019	4311	2657	16696	84546	43047	5469	59116	7904	4552	5677	5995	55806	52444	49160	41992	42045	5676	3190	5336	27418	1944	49007	3812	2787	3779	0	7448	4870	76279	3045	7904	2683	7970	49617	39368	7442	0	0	0	14454	19748	0	4368	3623	45050	20431	13722	0	18862	25888	9132	18476	16645	13428	0	38084	38910	19772	7202	20575	24188	6316	35759	43200	32994	4209	3169	2876	3659	4410	0	2615	6303	29381	3210	15725	14907	28497	16522	8768	10543	9040	12967	8230	37932	55981	8790	47639	70222	0	15042	22660	11863	16797	16746	7852	2890	17470	0	7120	13175	0	5708	21894	Organosulfur	0.46666667	1.2	0.0
16	C15 H18 O7 S1	343.0846	343.08508	0.10965099	343.08463	24598	22060	26323	22018	23270	18381	5052	2989	28194	115508	50400	3674	39955	10858	4749	9474	4075	34395	27980	61827	52895	77695	5472	8762	6990	26945	3962	39982	5692	3044	3352	5611	7921	0	123901	4049	10061	4146	3534	70682	38857	8639	665	0	0	23679	16625	0	4257	2664	22083	22589	19587	0	20172	16878	10011	9205	26192	11607	0	55825	16125	20299	8614	18441	10666	4715	32288	46677	31311	5191	4374	2504	3780	4964	0	3580	7500	38307	3893	17811	16807	38634	16858	11556	9012	10124	10074	0	69939	81638	0	54462	111352	0	18785	22160	18191	15978	16210	8189	3057	25239	16659	0	17815	0	6077	36350	Organosulfur	0.46666667	1.2	0.0
18	C17 H14 O6 N2	343.09247	343.09293	0.13167469	343.0925	19099	16935	13548	15786	7176	8078	6599	9020	18274	29801	23643	7602	11455	3474	9145	12596	14578	11565	19451	18787	21090	35772	10719	15848	5878	16734	9695	13049	6248	4425	7269	5258	7936	0	24684	3519	13424	8930	17571	30145	45070	8835	581	0	0	18256	30478	0	11905	6827	16020	19618	10667	0	10496	8620	8102	8851	5613	13642	8796	24346	15610	12501	8824	18361	8501	18094	25932	23256	38518	6309	2820	1468	9586	0	0	8485	22593	36481	12862	22492	8558	16557	12146	8150	13788	9071	8638	26050	14308	11298	26459	37811	55310	0	13692	12335	6838	13571	10249	12188	7512	12860	8628	12570	6127	0	13498	21398	Phytochemical	0.3529412	0.8235294	0.11764706
20	C17 H14 O6 N2	343.09247	343.09286	0.043839622	343.09247	8770	9829	6640	4772	8002	6807	6113	4631	6400	7666	7748	3351	7413	4829	5348	6912	5885	8157	9107	2930	10641	15850	5800	9589	4275	3187	6311	3892	4292	3680	3239	3079	7866	3220	9181	2891	7036	3928	10526	12753	31082	5132	0	0	0	8927	17328	0	7366	2644	11061	6575	9458	430	6742	4870	3706	4834	4571	11648	7774	8300	6385	6057	2642	9935	5609	12206	8871	4747	12985	1897	3875	0	4070	1408	0	4320	7591	21707	7985	6654	4380	13035	5266	2731	13643	12692	6427	19665	8084	10974	15320	18861	19291	0	4720	9112	2942	6006	4949	6303	3457	6034	5962	8849	5055	0	6890	6766	Phytochemical	0.3529412	0.8235294	0.11764706
14	C17 H14 O6 N2	343.09247	343.093	0.1668589	343.09253	36560	41498	35669	35389	30859	21716	32385	20642	25367	50615	33734	21981	39854	12032	13804	26675	37762	35774	33526	41700	61449	78315	26682	36835	26143	42051	23382	22988	21261	18338	21486	16045	38657	16869	69552	16825	34001	19327	48888	72628	87992	22834	0	0	0	41305	49847	0	22108	12254	28329	33300	25398	222	30156	22150	15400	36449	30658	33292	24739	58968	34753	27215	15868	32403	23930	46455	53687	68916	93642	17791	21976	9520	17160	19925	0	19601	37294	53001	29763	39839	30658	39694	23356	21923	45786	28883	24411	71405	51712	51883	64790	81936	85915	0	41224	38927	23742	30229	28031	27405	17795	29602	0	42776	20236	0	28125	42373	Phytochemical	0.3529412	0.8235294	0.11764706
16	C17 H14 O6 N2	343.09247	343.09293	0.11447706	343.0925	19735	22021	17826	25468	21220	15107	12170	7776	16147	46802	27244	10082	21549	9690	13931	20010	20688	20355	22347	26289	44848	52684	13559	15837	13926	32036	12529	22041	6945	8064	10718	10683	15178	10793	52571	7223	18200	12857	22891	44315	68170	12594	599	0	0	28239	45206	0	14150	8830	21421	22176	14889	0	20198	16218	10198	18980	8611	21675	15244	26759	24191	16495	7437	19921	15171	19386	38852	49319	55304	9112	5295	3706	10752	6480	0	6201	27522	55881	16992	30943	7993	33058	19261	13900	30602	17394	13707	42233	24125	25991	32305	58163	59465	0	18776	17873	12445	22907	18051	13402	7275	11278	14472	23277	11120	0	17101	22263	Phytochemical	0.3529412	0.8235294	0.11764706
12	C17 H14 O6 N2	343.09247	343.09302	0.16767853	343.09253	39501	34969	34055	33428	32011	26302	18576	26480	30767	61833	39906	20410	36325	12387	18785	30752	38849	37495	42977	47781	76862	79748	31110	27365	19082	44623	15139	23943	24894	13570	21689	17342	29843	13505	77550	12211	23491	22895	38615	78041	102750	20410	334	0	0	49225	70993	0	25768	16455	39927	34049	28871	0	34648	19938	14331	38409	24499	38874	0	71100	38841	30978	15999	42557	25076	32746	57595	75165	113384	16993	9957	10800	14450	11636	0	14366	39126	38543	29104	43587	26615	39438	29695	15926	43346	25637	21358	89349	53756	92216	63900	63202	59412	0	33049	34591	19589	26378	25649	22655	16549	29117	26966	39109	22622	0	29779	47727	Phytochemical	0.3529412	0.8235294	0.11764706
10	C17 H14 O6 N2	343.09247	343.09302	0.15590017	343.09253	18542	18696	19088	13191	16839	8973	7134	7468	21137	45934	27955	6610	19293	7963	6156	12426	10666	18280	23542	32097	47613	36252	6585	10464	5132	33705	6689	17521	10789	3609	8120	7588	11735	6547	53025	5245	12135	6180	12606	37635	63146	10723	0	0	0	26932	48199	0	11707	7850	20402	23131	13975	0	22381	14690	6601	18724	6974	15202	13404	24850	21493	18174	7633	18594	9260	18084	46042	46435	78750	3987	5198	3341	7735	7718	0	4158	18772	28509	12883	21005	4878	17610	21292	7726	21919	11266	9792	29591	9016	13764	26478	43238	45983	0	18784	16438	13237	21676	15688	9740	5446	10444	22967	14869	11739	0	9887	24437	Phytochemical	0.3529412	0.8235294	0.11764706
10	C14 H18 O6 N2 S1	343.09583	343.09644	0.13271788	343.0959	12258	9555	10576	11056	7846	9655	6804	9075	8229	8143	5621	6597	9620	3022	7172	12464	10308	14900	10651	5855	11363	22433	8410	13528	8488	1800	6014	3348	7343	6396	4796	7658	12355	6981	16519	4477	15548	6959	14331	17449	15596	8620	0	0	0	10174	14320	0	10094	5315	9198	8837	9221	0	8289	4587	4673	12173	12923	12256	0	12004	4790	6750	3772	10251	8759	14047	0	4364	6906	8285	7257	4321	4248	5324	0	3977	10421	0	8779	10569	10022	6754	5934	5165	9030	9889	9459	12648	13217	25498	21445	12863	18735	0	8210	12133	3575	5851	4399	10282	6306	16389	0	12470	8047	0	5903	14271	Peptide	0.42857143	1.2857143	0.14285715
6	C14 H18 O6 N2 S1	343.09583	343.09647	0.13704143	343.0959	10836	10254	6524	9419	9544	7411	5305	8490	8012	6646	4319	7715	12027	2778	6846	11239	7737	13200	14802	7314	10711	18008	8831	14303	5171	1141	4450	4267	8352	7414	7765	7551	12396	8163	11678	6967	13257	6374	14005	8628	14663	6244	0	0	0	9887	13117	0	9233	5988	11155	10564	10031	0	9340	4238	3879	9921	8236	9223	11025	7429	11457	8534	3332	12060	7570	14937	2506	3104	4652	6240	5072	4754	4111	4473	0	5902	7355	4287	6407	5378	4233	3005	5872	4098	8228	8832	9449	18448	7035	18341	24183	8483	12075	0	10435	9464	4417	5798	4409	10799	6525	12186	0	12397	7458	0	5689	13641	Peptide	0.42857143	1.2857143	0.14285715
20	C15 H18 O9	343.10236	343.1028	0.15716495	343.10242	28494	25548	22354	23142	27962	28278	14704	28684	40460	21093	17392	21240	49388	16172	30020	23204	26158	50060	49088	15548	21690	19222	27554	20274	20248	9420	14280	8572	28964	19662	20750	21182	35600	26384	22872	20942	34194	25290	15328	21722	17324	25340	3932	3156	3218	15986	19564	3592	27218	25946	27648	21696	29694	2720	54428	34722	25232	17122	20072	9508	22546	24164	53516	51880	16154	35218	31634	12324	20128	12340	13894	23264	25704	26126	10774	22344	1938	30040	19762	14724	21442	15644	15366	0	31336	23338	20652	28878	30884	19632	8264	22408	15490	15204	10746	2826	21708	27262	29702	31110	23618	29624	21094	24044	20756	23298	24224	2382	13186	62836	Phytochemical	0.6	1.2	0.0
6	C15 H18 O9	343.10236	343.10297	0.07525217	343.1024	39137	39845	38058	37424	85214	60772	15345	28675	68497	51632	50928	25204	95524	20069	24973	67916	28668	80159	75489	36357	56230	83986	36232	30325	8608	8307	14538	15451	23113	37312	24544	24915	33524	22856	53970	23542	33079	46196	38063	18719	37876	75190	860	345	493	24328	36097	0	25418	53278	41531	38840	43218	451	181654	73674	66732	30192	24736	34468	59370	21722	213190	75403	28318	65667	38176	69146	20268	15106	25748	23035	26824	22163	19279	20977	273	23466	33510	12901	28707	11586	13252	8095	68982	39866	33807	68054	36015	76710	11287	22904	66928	34846	30526	406	40373	39239	45918	83308	82832	41184	22934	32985	13965	28286	116688	0	17176	107261	Phytochemical	0.6	1.2	0.0
18	C15 H18 O9	343.10236	343.1028	0.113771185	343.1024	48470	43383	44901	45972	51228	50189	19622	43884	68094	33826	32594	28863	109932	31130	41342	40051	22378	92792	81431	42534	43396	37393	49790	35774	21270	8816	22618	11930	32063	28259	40419	35514	51588	32524	59547	28119	49821	35952	28998	42349	40324	39042	3143	1270	1761	28981	32732	1172	38718	27602	42006	48560	47055	1008	133181	49948	33588	29810	36031	22143	31894	43618	100676	92470	28399	73600	52441	22325	31224	31713	34878	31633	32531	31869	24026	34146	1084	33968	37458	21415	32417	21420	18945	13651	56026	30719	35975	35723	43295	20011	15380	33585	47313	30794	25765	1411	37530	34894	46056	43071	36013	39748	29407	33722	19275	36819	34750	1356	14696	102905	Phytochemical	0.6	1.2	0.0
10	C14 H18 O8 N2	343.1136	343.1141	0.107558094	343.11362	69642	60368	58425	61956	48952	43070	32951	65165	64854	41184	37269	67013	69863	19867	56547	71818	82307	92780	85241	41235	59330	80239	72568	68940	31588	2248	38815	19325	59047	53079	54891	62634	92683	60626	63581	64743	91234	49726	93645	47458	66106	55029	837	0	0	33186	44301	0	60956	56604	59554	73153	54913	0	93180	37952	36627	72563	62867	59840	79696	43339	83257	75822	40863	66054	58824	98361	12636	12174	13990	58852	59869	50342	63382	41088	0	50414	46651	23816	38651	26824	29123	11520	43790	37241	46028	67635	61486	103865	24722	70203	115453	40557	30482	0	67421	53809	36985	32608	30420	87670	60835	53542	41286	87123	40418	0	34106	105001	Peptide	0.5714286	1.2857143	0.14285715
6	C14 H18 O8 N2	343.1136	343.1142	0.079056576	343.11362	54774	66046	60942	59483	45816	34114	24756	66145	61233	37900	42163	57488	70081	13987	46247	75127	88713	77605	87045	40819	60726	71441	61934	72030	18506	1487	25109	13165	43280	43006	51137	54618	77258	52990	47936	51463	67030	41508	101549	31069	61701	55062	0	0	0	35235	50921	0	61940	59082	59944	61796	48260	0	87228	41957	37727	61430	46373	63317	71115	32897	85548	73514	36868	66148	62628	105705	8296	8802	10305	50430	45592	47466	35199	39841	0	35867	39685	20233	31535	20755	20659	9970	47131	36997	40155	75976	67306	105381	23771	44517	107333	38873	26908	0	58538	56385	29958	38507	43990	74966	46594	59335	29182	76475	38940	0	30440	118998	Peptide	0.5714286	1.2857143	0.14285715
8	C14 H18 O8 N2	343.1136	343.11417	0.1002055	343.11362	111109	122952	87802	113874	70148	58516	55942	111016	97583	83502	79739	100648	110103	31905	84792	119575	139502	118310	140385	95949	120168	149391	108202	113071	42843	37837	61404	36511	86662	83277	88324	108530	115697	87008	113871	88965	122083	77314	151002	93277	120564	93060	3323	1478	2283	89693	106249	1688	98524	99995	99309	107728	77456	1691	141934	65909	61374	107147	87686	105568	117803	71069	129844	128925	68022	102163	86719	144359	54512	56887	87024	98367	95464	86263	88049	93725	1731	73734	81625	45810	71648	54752	53127	34928	73025	49267	88077	105324	104563	170702	44751	108949	179639	74545	66400	2484	117615	115230	64838	69652	59833	129208	88637	104125	51791	124822	64841	1128	69392	159674	Peptide	0.5714286	1.2857143	0.14285715
4	C14 H18 O8 N2	343.1136	343.11423	0.048738893	343.11362	19716	19307	18530	17896	17093	11182	7175	17682	22351	7959	13401	17109	25748	8513	11769	19029	36662	26614	25358	9248	16131	22883	21720	21187	6020	466	9172	0	11606	13416	15241	16000	21891	13089	13415	16245	22613	15509	42515	8672	15592	19687	0	0	0	12997	17086	0	16254	18706	19931	16909	18108	0	28220	20288	14623	19932	12455	18994	23650	6908	32945	26302	18575	22520	15230	37536	2389	2366	3290	13819	13306	14558	9319	14106	0	11494	13062	4364	11416	6740	6313	3794	21819	14535	11279	26522	23321	35893	5106	12802	35142	9955	7585	0	18061	18258	18497	23403	21924	22442	14044	19561	7148	23087	17498	0	9721	43014	Peptide	0.5714286	1.2857143	0.14285715
12	C14 H18 O8 N2	343.1136	343.1141	0.08212171	343.11362	40101	42988	38950	37288	25488	29119	32428	52049	35381	14390	20300	42273	36255	10418	42722	43833	63144	49881	53626	23219	28046	57488	50440	45619	26279	0	20154	11300	43542	35195	36678	44992	54644	42416	25814	41752	55441	47259	62051	18670	36701	38803	448	0	0	20633	24269	0	40676	44523	39087	43599	31856	0	52399	21294	23187	41925	34130	27406	47860	19903	34764	43607	22718	37190	37033	68989	0	9544	8173	43307	34822	36398	44941	29060	0	40393	33411	0	37781	14818	14639	5515	22140	22233	33052	38173	38903	72793	16430	52337	89615	13818	14775	0	37505	40032	21590	15212	19428	56876	35483	25872	0	66813	21343	0	29804	54577	Peptide	0.5714286	1.2857143	0.14285715
14	C14 H18 O8 N2	343.1136	343.1141	0.18381923	343.11365	9490	12119	9416	15037	8974	12219	15058	18518	11953	5856	8014	19033	13567	3458	14028	18313	20972	19197	20095	5476	5531	11091	20241	15341	8656	0	8550	0	14646	15453	11821	12711	18519	15306	7362	12791	18315	20295	24339	6390	8148	16400	0	0	0	5383	9784	0	11957	13302	15858	11415	12067	0	20518	8213	11220	17909	8387	8488	0	7911	12278	18513	11795	11287	13208	20781	0	1729	2133	15760	17223	11818	17643	9405	0	12627	11881	0	12360	5239	7990	2470	7935	9258	15384	16879	19332	30205	9535	16031	32301	3848	4470	0	11593	14963	7573	8472	10678	15154	15499	12298	0	17603	6880	0	11424	14557	Peptide	0.5714286	1.2857143	0.14285715
2	C14 H18 O8 N2	343.1136	343.11426	0.0903366	343.11362	10531	13802	8924	10968	16885	0	6118	12091	14273	4503	6064	11250	25988	5237	7522	2573	10963	22739	19289	5417	12099	17122	10327	10972	2813	0	0	1211	9397	6582	10319	10457	20425	9259	7078	9978	13727	6923	9786	5026	5969	13801	0	0	0	5237	3972	0	12068	6873	8581	10804	16097	0	20414	9301	6950	12643	5049	5211	3316	2512	38396	21995	8487	24387	15732	12000	887	1633	1398	10374	9617	7328	992	7988	0	7895	5161	0	5664	1980	3652	1696	11250	6171	6466	17917	17521	14600	5010	8029	19394	5782	1149	0	12334	10103	7247	12730	10609	9544	9694	6375	3154	15862	8841	0	5924	45405	Peptide	0.5714286	1.2857143	0.14285715
16	C19 H18 O6	343.1176	343.11807	0.104887344	343.11765	299919	337912	290060	303042	259165	212260	160781	212593	280886	598590	411039	161646	309257	166256	188044	269756	179672	343798	334520	633676	628606	366848	242875	282524	194616	973073	152323	314161	180372	183905	212085	203841	253122	166857	679113	186956	246246	179669	203101	430678	447910	172778	10394	3399	4343	283552	313642	5803	239014	203853	313265	300765	216637	3996	264734	215797	166797	256011	176927	193391	263566	281621	347254	232789	136618	306397	198661	175402	792915	1094359	1210420	198521	192231	167779	160118	214758	3785	149973	309739	271762	276246	258798	195066	339404	308525	179793	276798	184818	199922	278706	236828	268944	343633	277449	389821	7582	309440	293925	234602	244901	258366	222903	156198	218180	173229	269146	222231	3803	212731	320520	Phytochemical	0.31578946	0.94736844	0.0
10	C19 H18 O6	343.1176	343.1181	0.027801843	343.1176	173067	180561	181258	175928	38944	104420	105640	161215	43723	86370	169286	126295	42644	26453	44427	207787	141031	44084	225013	91251	91286	264150	149174	73464	91987	112883	120299	137945	153552	138880	134568	155517	189364	143810	344514	150798	193430	49128	178701	291922	89940	116313	7423	1790	3206	193501	194918	3085	157871	144050	187615	68758	121021	2235	51623	39674	84514	186186	53165	153149	175843	210091	196700	187849	82930	44590	117710	181562	133372	234471	296325	138349	149639	142008	130453	141939	2442	116897	167450	103703	133823	135741	117079	49690	54712	31457	141965	114772	124971	184326	46352	167466	239757	54290	210505	5029	162600	190063	41294	120973	125921	180655	46374	198088	140680	159453	122361	2057	114364	47889	Phytochemical	0.31578946	0.94736844	0.0
22	C19 H18 O6	343.1176	343.11804	0.11236415	343.11765	127469	133198	118071	123054	136890	99920	45138	63927	147236	271200	207386	48259	162316	94819	63882	85737	51845	176297	149435	252987	258310	171962	86247	97084	80516	380246	39020	194534	72455	62409	62631	59267	77210	53949	313823	57020	85184	61779	57231	185538	195798	72142	11444	4310	5229	152797	138222	7493	71211	63844	125603	116746	105821	5509	136452	127057	71056	77784	61818	52147	80720	147846	175119	114610	66423	166018	97525	62090	346120	439075	475973	68248	50811	41443	35775	56823	6287	48094	115740	125465	104085	99603	56691	143815	161896	89885	108909	80895	89135	75020	110028	116490	111664	162153	204099	10331	122984	126826	109965	148577	132141	75669	49385	84855	103165	76800	115480	4961	73976	191729	Phytochemical	0.31578946	0.94736844	0.0
20	C19 H18 O6	343.1176	343.11804	0.11493843	343.11765	269803	290553	278808	239330	282155	208790	103224	161360	264811	640822	427418	103738	344115	199703	151896	179254	109999	335613	343196	557903	589434	347812	171012	195639	147686	861427	109345	375419	153950	114427	115877	134604	183314	137017	682164	110517	203632	110974	118456	428704	391939	151338	13931	7377	4063	257816	263268	7565	153075	127550	252784	269741	205961	5535	239062	228730	147370	194980	150794	123837	174042	288026	324823	228304	125481	314955	198373	121308	761085	958728	1097592	132196	117320	99384	101908	131193	4063	110551	221023	263414	169640	185262	136607	318781	273707	164305	207946	177683	165605	167769	219385	225001	252801	301879	351964	10404	274919	272874	232748	245216	259987	155237	114593	183514	187393	155050	200212	7205	145716	333705	Phytochemical	0.31578946	0.94736844	0.0
12	C19 H18 O6	343.1176	343.1181	0.046859466	343.11765	127409	153601	140978	142958	75507	56949	104608	133944	100239	197036	152305	79162	77288	47186	86947	145477	113723	92163	110977	193614	200739	187094	107301	162656	86735	268301	99919	104706	91278	105043	101666	114563	122660	88762	225652	95222	95033	101090	120712	157649	197937	66895	5021	2069	2951	152318	167378	3186	117417	119657	142705	155392	73196	1981	97692	74594	61524	147692	98398	120789	145606	116594	124047	75819	48315	92174	67830	115168	278448	316551	373256	97737	104069	107499	109240	108729	2400	87953	124656	68435	128699	109706	102586	111774	97729	61414	125663	61943	77927	193108	92467	115313	159817	104856	141814	4252	159696	135257	95021	86044	83053	120564	86958	141653	104294	114525	71987	2279	104290	106614	Phytochemical	0.31578946	0.94736844	0.0
28	C19 H18 O6	343.1176	343.11804	0.08647874	343.11765	16302	13450	11229	13223	16467	9868	4673	9994	16506	24891	10600	5259	32661	10312	9192	10639	6882	19147	21169	23095	23656	24606	11130	11864	9650	28070	4489	14573	5694	8066	8088	6693	10545	8223	28119	7089	8218	6774	7569	15219	22501	9673	4091	1292	0	11220	14184	3234	8938	8629	12745	12590	10825	0	13512	16527	6235	9258	5150	5123	10223	9883	21278	12963	7987	20339	9694	8670	35511	41045	46594	8091	5685	6802	5815	8228	0	4953	11531	19077	10453	0	8591	11959	18874	8503	11901	8570	9224	9512	11542	13047	12526	18152	23832	2227	13787	13774	13802	14589	21283	10294	6607	7060	7516	7830	9680	1641	7549	19408	Phytochemical	0.31578946	0.94736844	0.0
6	C19 H18 O6	343.1176	343.1182	0.005488912	343.1176	13177	12475	7796	8226	6878	4009	8226	9557	8580	11371	9170	8805	6014	4767	6673	10954	11747	5023	9320	12329	15879	12463	11094	9630	6290	10515	6892	9905	7671	8931	7234	9520	7898	6177	14464	10760	7769	7598	12249	9853	10958	6674	1764	1426	1941	11245	13355	1968	10037	9585	12632	10045	5691	1542	10827	8146	6242	10620	8169	9733	9449	6006	6868	4514	4456	7001	5603	12656	13317	12950	22123	7760	7447	8036	6274	10777	1449	5289	10211	3760	11391	9107	8551	5611	7651	6188	9084	4513	5510	15771	0	5688	14263	6533	7973	2179	10323	7573	6972	6939	7982	10552	10281	10442	0	9807	4090	1304	7971	5589	Phytochemical	0.31578946	0.94736844	0.0
26	C19 H18 O6	343.1176	343.11804	0.04586897	343.11765	23245	23358	21156	24109	24837	15741	5774	11007	25170	45775	25920	7571	45962	16404	13515	11707	9258	29744	34224	36800	49737	40551	13772	20898	7449	53327	6840	23535	9460	7521	10602	9021	13998	9676	52376	10906	12865	9326	10065	34140	38863	11462	5264	0	0	24623	26662	0	10068	13682	20402	22438	19039	0	23794	29905	15283	14502	9348	9926	17898	18802	37448	24194	8712	32415	17656	12955	66399	76116	100595	9918	11106	0	7900	11022	0	11315	20853	30463	18367	16431	8531	21717	37286	12910	21950	17838	15364	17326	13031	14137	22264	35898	43675	0	21655	33077	22360	35571	29812	13259	11016	14354	14060	14239	20160	0	12416	35920	Phytochemical	0.31578946	0.94736844	0.0
18	C19 H18 O6	343.1176	343.11804	0.10678001	343.11765	392307	384024	342159	352291	325371	236986	163545	235563	294806	825134	623366	159764	414162	227351	215006	260489	175544	425775	449498	776744	706947	437856	229142	293447	182540	1179554	147114	493045	204240	183511	192317	198401	284812	185309	838257	194408	266106	174987	185490	572417	533403	189325	14161	3469	4336	323999	307204	5823	232183	182203	357998	352141	271500	5371	344175	285500	197038	265045	186452	178440	265630	384665	421369	290770	166041	390673	255755	192318	1027843	1253988	1504047	198287	155843	156795	163731	209304	3319	145207	324887	341767	271870	278092	176710	414887	352215	239176	276986	217539	232014	271358	327772	334863	362559	346886	520042	8439	359823	340351	291804	287829	318459	239068	156217	249159	192697	232535	239805	4083	210741	375599	Phytochemical	0.31578946	0.94736844	0.0
24	C19 H18 O6	343.1176	343.118	0.089942545	343.11765	48439	52239	48755	49079	63800	39792	10196	27010	56329	98848	71875	21879	90167	39976	28222	26705	20950	69359	69383	80462	92803	69876	37440	37226	23577	134400	15154	58003	22657	16100	20904	18329	30092	19440	105797	22121	30427	21782	22905	70511	70515	26413	7476	3425	6251	50149	57506	3445	28950	17999	52039	42473	44699	5027	55875	51553	28887	34182	22558	19753	25010	47181	73337	47280	21027	67105	29738	24085	127878	143311	171443	23271	20026	13305	15389	21636	4990	21785	45816	52898	40859	38861	19972	54945	68523	26253	40968	28825	31807	30794	31885	32210	39723	63017	75221	5893	45647	50257	48507	66905	57569	28348	17322	31627	39188	30368	44340	3168	25785	78584	Phytochemical	0.31578946	0.94736844	0.0
14	C19 H18 O6	343.1176	343.1181	0.095381424	343.11765	237636	234861	211666	228964	171540	123850	144722	193905	189401	375968	258320	127924	181306	106371	140026	222919	162529	204325	212794	369050	389507	279347	166271	251148	151041	575133	139776	239017	137040	152522	154963	184302	191453	143977	423401	163749	166753	142264	161078	283258	347431	116385	6730	2871	2712	213751	264314	3949	193373	159832	214143	207962	148128	3535	178946	149424	109125	233282	174910	175939	250078	210779	212076	170553	99976	180369	126169	166011	485463	639851	729886	154638	154896	148136	139009	169669	2751	126973	222187	171131	216988	195778	159289	236383	182777	115739	214004	137671	144657	254949	163316	167507	268951	183839	243187	5322	234074	206994	169242	171121	168984	160369	139106	211982	158734	181793	153164	2510	182376	190537	Phytochemical	0.31578946	0.94736844	0.0
18	C16 H22 O6 S1	343.12097	343.12146	0.16453835	343.12103	25344	36418	31102	36798	38198	44982	18122	17246	30340	44792	25350	12488	55862	17616	21218	28718	27700	59896	48276	62566	53368	83316	19182	26356	29744	25622	24724	27244	25710	12758	16396	16602	37922	18048	41820	15432	31150	26380	28284	54790	36954	28534	1452	0	0	36514	33470	0	18982	10132	42970	37104	35358	0	36576	42696	21402	45564	40600	32600	27150	41166	57812	19950	18560	46124	33672	30246	23984	39176	29588	14524	15154	8146	33776	13902	0	13522	23398	40980	40272	28380	29908	28510	27290	24280	29528	28584	26566	45228	122760	143924	53766	43102	90115	0	35576	35816	29756	28840	36250	31634	12108	40518	28682	30416	30736	0	19534	40336	Organosulfur	0.375	1.375	0.0
22	C16 H22 O6 S1	343.12097	343.12143	0.12027564	343.12103	9019	7998	7175	9360	10566	8091	2589	3233	6727	16487	3634	1533	6966	0	2527	7247	4642	13854	9357	13816	11610	13382	3928	7463	5304	4950	2665	6509	7314	4524	3474	5938	7254	6444	10354	5870	6184	3471	7216	11805	5152	7022	0	0	0	3941	4594	0	4706	3327	6668	11199	5162	0	8584	4204	4508	8989	10901	6097	6659	12883	5963	4844	3021	4990	5419	6404	7197	10166	9919	2857	2928	1885	6373	4007	0	2576	4145	6729	2556	2150	8193	6202	5244	3516	5468	4982	2661	6736	30876	34579	10134	7974	15309	0	4816	8221	6262	4730	5806	7965	1693	9426	6448	4979	6053	0	5611	9419	Organosulfur	0.375	1.375	0.0
20	C16 H22 O6 S1	343.12097	343.1214	0.052619424	343.121	18657	21247	14204	11535	14841	12816	4971	3880	17580	25867	8731	3710	22384	9448	8406	7208	7138	17980	16243	19868	19867	27560	6091	7283	21686	11954	6420	13354	9997	5787	5471	7266	12360	7832	27582	5761	11519	5833	8667	31872	17737	8342	532	0	0	16763	13432	0	8187	4994	14211	17740	12515	391	13338	8099	7878	12774	20410	13460	8783	18965	9300	8662	5245	13579	14142	10497	10303	21838	12958	4643	5397	2343	8644	4835	0	6387	5382	11562	3446	10366	17827	13741	12817	15840	10919	12623	11197	14728	57496	65478	15976	26252	29723	0	15429	19707	12772	12304	10647	12366	4379	21030	15156	12771	11229	0	7157	18022	Organosulfur	0.375	1.375	0.0
12	C18 H18 O5 N2	343.12885	343.12936	0.11967663	343.12888	28223	42251	32147	35353	27836	21427	28162	33115	31041	64785	60842	18608	22677	19213	19803	32828	36547	33805	27340	73637	92677	63809	25647	35772	32361	103849	23635	57355	29078	16213	25042	23787	37704	23928	94265	25528	29311	26959	34551	87246	101684	16696	369	0	0	62483	66693	0	30291	29717	36674	34867	25700	0	30323	19587	14667	33686	22399	35949	25597	50196	28995	22010	14430	27959	23401	40800	88847	142779	181558	21204	19988	12896	24398	19299	0	19271	39594	56426	30634	38255	24586	57552	20937	17339	46960	26873	26479	80906	37397	37889	57359	55651	60960	0	39802	40344	24732	28163	23073	31174	19236	34425	24045	35537	19745	0	33761	29212	Phytochemical	0.2777778	1.0	0.11111111
14	C18 H18 O5 N2	343.12885	343.12936	0.14994371	343.1289	32452	42852	37470	44443	27644	20970	32785	32868	25604	62206	49528	20744	21757	17870	29715	38199	45323	27926	31603	64871	81672	71815	27177	50616	34008	109408	28580	54368	20173	24798	27907	34657	41634	22628	80591	21672	41973	26019	43176	61477	96733	19437	0	0	0	46724	62810	0	31318	26920	37526	45836	28934	229	26508	15735	16203	34863	24508	37259	36549	55582	29571	22345	15037	30767	23312	46706	99859	139159	163186	22005	19670	18367	26784	21652	0	23430	40750	62455	34775	36971	27124	53980	29616	16977	39007	32428	25111	70185	54081	46401	80570	56247	68398	0	39146	36194	19120	25920	18767	37574	19061	41883	26428	40115	15676	0	37105	26483	Phytochemical	0.2777778	1.0	0.11111111
8	C18 H18 O5 N2	343.12885	343.12943	0.105810955	343.12888	37948	34463	30450	41786	20654	18258	13494	24621	20043	87393	61465	14791	21097	13749	16245	31910	25416	23859	25269	85761	105503	53074	18659	32943	16701	100893	17401	59754	17278	16749	23086	19050	29114	20226	90653	18298	25363	16196	27834	63517	88901	15157	0	0	0	47114	69368	0	26276	20745	37875	34070	19323	0	24646	14679	13103	27867	7448	20923	26228	41972	28267	20549	10406	22042	17037	29469	103959	129074	190736	17913	16186	14359	13164	16136	0	16243	28566	42233	20722	21984	13874	48658	16840	10742	26529	18385	15415	42854	35192	36718	50788	54015	85729	0	29049	36489	14731	18924	15801	28551	13079	30122	20029	25814	14250	0	21780	25392	Phytochemical	0.2777778	1.0	0.11111111
18	C18 H18 O5 N2	343.12885	343.12927	0.10339856	343.12888	22036	27674	19055	16583	14240	15430	18697	19392	9585	36725	34322	11930	10776	12912	15862	33427	28035	14927	16111	33107	44853	42816	12254	26145	17368	43499	17969	32897	19789	8946	14581	16590	25469	14367	36445	12608	29394	10793	22698	40491	66821	15619	861	0	0	27491	31290	400	21507	13380	26800	22929	16720	0	14618	10782	11815	29775	12897	21651	20118	27300	11903	9870	8878	18633	15347	26126	46015	48596	70061	17820	11571	8901	13181	9281	0	10571	23121	38404	22787	20086	14243	33982	10597	9372	27317	22246	17084	38655	36117	43411	46024	38893	45752	0	20564	24084	7670	10525	8887	27632	12636	21658	15655	26619	7898	0	21176	19074	Phytochemical	0.2777778	1.0	0.11111111
10	C18 H18 O5 N2	343.12885	343.12936	0.08155243	343.12888	39458	35340	36551	38018	24226	15866	18757	26194	26763	84232	63651	18831	24693	14921	17029	34155	26454	21672	30900	90404	105642	57853	19770	35640	23789	116902	22355	50133	19914	21585	22266	22986	33487	20376	84405	18930	38410	15659	35454	76845	93246	16570	0	0	0	55628	70139	0	27831	21315	42126	35605	20958	0	23686	16595	13960	38595	15328	29884	28452	49436	24274	15360	12564	26047	20901	42501	119833	154427	178634	26028	16818	14407	21446	18559	0	18416	33752	44300	24294	29910	21634	49570	21425	12942	31989	20355	17703	53142	38330	35741	52671	55017	77819	0	36274	36245	17047	17094	18631	29669	16282	29843	28388	31797	18570	0	27069	25600	Phytochemical	0.2777778	1.0	0.11111111
4	C18 H18 O5 N2	343.12885	343.1295	0.08063393	343.12888	7315	8891	6629	6746	6914	4037	3363	6124	5459	16883	11736	3071	10654	4376	5527	5681	8517	6744	6782	12737	23376	13884	5460	5801	3275	25112	3539	9976	3343	3429	2733	3959	5374	3324	19200	4461	5416	4694	8547	13975	19139	3129	0	0	0	12340	17260	0	4991	5053	8617	6984	4466	0	9814	5967	3111	5788	2679	6540	6634	10748	9192	6832	2834	7758	4020	6925	26910	25717	35852	3101	2105	3192	2085	4054	0	3394	7566	13080	5786	8280	3095	8130	8508	5593	6819	4425	4435	10058	5289	5935	10668	12533	16635	0	6210	10010	5662	7942	7850	6262	3838	6195	7739	5424	6023	0	3918	9697	Phytochemical	0.2777778	1.0	0.11111111
6	C18 H18 O5 N2	343.12885	343.12943	0.075401895	343.12888	24850	28361	27247	29490	15512	12262	10893	20078	21939	68984	40541	12425	23975	9318	18553	27307	21394	23402	26564	61462	76955	44971	21966	23545	11992	87178	13012	29648	18505	14031	15948	18406	23459	13854	62830	13757	25360	14805	25364	41811	66201	16044	0	0	0	32947	48241	0	20805	16411	30916	27274	14931	0	23285	14642	10547	28140	6703	18228	25196	28239	27119	18375	11129	21756	15981	31059	87090	119443	166107	14757	14629	11125	26564	13083	0	13474	18899	22664	15675	16694	10677	28394	18438	7847	20198	19590	16107	48391	18215	23676	48075	38806	56061	0	26971	23835	13265	14798	17698	24880	13827	21149	21369	26036	14845	0	15589	26931	Phytochemical	0.2777778	1.0	0.11111111
20	C18 H18 O5 N2	343.12885	343.12927	0.08678512	343.12888	11914	12516	11968	12434	6440	5699	9472	7052	5024	21285	22910	6793	4703	5698	8474	9847	10896	8424	6313	12668	18498	19007	8311	13645	7743	14583	8118	23292	7750	7328	8931	6489	16830	7319	19555	4365	18614	7830	10678	23738	40874	8321	608	0	0	14973	16909	0	6481	6982	14197	11629	11859	0	3143	6356	4610	12935	9693	10437	11122	13222	6745	4589	4172	7309	8180	12928	19341	23791	33051	9189	5714	5007	7481	6494	263	8528	10987	25307	8109	9362	9989	8490	3877	3548	16419	8426	7492	29206	17615	15697	22787	25059	19033	0	11649	11877	4901	4050	5025	9738	6220	12024	8329	14522	5550	0	12845	6467	Phytochemical	0.2777778	1.0	0.11111111
26	C20 H22 O3 S1	343.13623	343.13666	0.2795518	343.13635	0	0	3480	0	3223	0	0	0	0	2606	7095	0	0	0	0	0	0	0	0	0	0	5051	0	0	0	25340	0	5815	0	0	0	0	0	0	2381	0	0	0	0	7469	9731	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5910	0	0	0	2014	0	0	18334	9321	10726	0	0	0	0	0	0	0	0	5725	0	0	0	6713	0	0	0	0	0	1883	2105	2543	0	6465	5563	0	3076	0	0	2930	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15	1.1	0.0
8	C16 H22 O8	343.13873	343.13937	0.031208962	343.13876	103366	104034	77571	99208	51973	64421	140268	251430	87432	167794	64467	159904	98498	27878	178422	128874	202040	86689	108032	214750	213424	104988	209354	133937	111694	36727	71873	87934	220346	109808	93299	215060	214530	90587	111201	217066	234712	166748	115595	68058	73452	154240	2009	602	906	206770	96992	779	121073	115425	91790	190786	125374	1111	289010	141694	54254	218456	214496	173100	140894	60083	188850	195144	87518	156108	66384	102563	48885	114114	72716	109627	196970	102489	150890	215796	766	158212	227690	46412	179794	121114	80283	42833	77414	55626	94372	56213	72210	106416	61223	94159	135398	63640	156832	1658	201216	109276	65404	80104	174920	229126	70722	147123	49101	92976	150368	579	73230	103251	Lipid	0.5	1.375	0.0
16	C16 H22 O8	343.13873	343.1392	0.067855805	343.13876	491344	518979	518188	513753	571034	589474	294463	418169	865835	852777	324858	240894	1154873	413283	435219	362550	211089	1135672	1081622	913519	702001	492298	405464	370883	365433	238949	230446	303436	530430	389930	412650	480283	706099	415235	1043114	483591	693481	317945	222583	633776	195278	444939	14008	3026	3208	326906	174114	3107	493062	348035	530968	524942	567298	4658	1570806	604193	335995	470251	495376	167055	428076	414018	946024	940845	256714	747341	518935	186459	216942	588930	240969	432196	470689	472149	208070	406031	2123	301011	329788	229646	256352	179338	314324	269212	465781	387794	311793	319664	467331	228073	451257	706319	428458	250101	430895	5977	494694	562220	447952	400758	441798	598842	266377	458601	356577	358453	488539	3906	247658	1132059	Lipid	0.5	1.375	0.0
22	C16 H22 O8	343.13873	343.1392	0.18593836	343.1388	17110	17013	15711	17630	16222	16641	12777	19322	23869	18000	6431	11096	19130	9226	19521	16293	9680	23585	20968	14447	15604	10481	17762	21135	13156	7357	5009	5629	19205	16453	20369	19285	20135	16095	26317	20249	24349	12413	8515	15469	7316	9854	0	0	2414	11218	9904	0	21921	15812	16460	15894	16896	1395	26559	14905	11467	16669	17269	7247	14472	8070	31800	25163	8624	19206	12361	8162	4744	13178	8804	18815	18742	20401	7373	19685	1876	10641	13800	7762	14897	9974	8177	8269	16944	11513	16332	8186	15986	8393	10864	13053	17636	7328	12135	3580	18412	16248	12159	15689	13134	19550	14347	16572	8077	13970	15385	0	9523	32109	Lipid	0.5	1.375	0.0
12	C16 H22 O8	343.13873	343.13925	0.010879234	343.13873	675782	760748	761824	753904	617328	557252	572164	387186	913158	913866	277419	217493	896828	151597	688390	756982	569124	1118688	614087	519984	466193	387547	726908	721730	270443	208971	500426	266587	866608	319334	347152	707176	946802	591238	1218610	358030	838152	623694	585244	711424	267914	566040	9008	1942	2028	594480	232620	1846	816428	311524	739938	733282	328311	2421	1669678	335405	426240	747654	403920	258788	410673	532774	526675	998264	313114	436797	624954	293461	245568	399359	287587	313421	651652	663606	268152	626382	1287	584646	340028	216469	637308	401442	287021	194823	622996	237052	664024	206427	290821	312984	305007	918844	377538	205555	585628	4417	761200	783372	597068	560670	600390	832608	231212	760080	191202	596830	622878	2173	474582	575646	Lipid	0.5	1.375	0.0
14	C16 H22 O8	343.13873	343.13922	0.018416269	343.13876	1103218	1042472	529137	544094	535033	527613	336003	973106	836793	789948	407816	266327	964043	310950	951222	422151	329708	1012389	890561	889072	826825	570119	443722	430709	757564	323724	545702	440492	1151276	891252	404001	543269	1522984	871240	1115387	1071996	1332180	741156	649984	636240	297314	472440	12622	2680	1835	402045	232905	2330	956588	784374	503487	488623	533763	3659	1543890	602383	638240	1003934	608567	260548	551342	440509	902528	963541	551192	679600	497181	581200	345835	660556	364464	820828	856554	974710	304460	818202	1659	701350	845338	326123	374393	260507	355651	306584	505905	387757	858644	342514	466109	283293	470156	1167496	520833	309459	438661	5989	539246	575282	455072	463652	481136	1256086	610648	550896	259603	752452	494384	2121	583070	874014	Lipid	0.5	1.375	0.0
6	C16 H22 O8	343.13873	343.13928	5.72025E-4	343.13873	62014	36503	61784	71006	18941	19567	49098	46179	51928	45818	46086	26796	59788	22364	65516	82410	81726	31843	76922	38475	34368	69064	72862	46684	18199	6904	49662	14905	76474	37866	35992	39375	80688	30865	26779	44956	37136	58602	46400	18612	29240	48872	950	577	852	31374	38970	630	41451	80430	36394	67288	21342	719	49049	51840	20608	40050	79460	37950	84544	20742	62154	28624	30204	49432	44426	46250	16087	16582	18027	62512	36789	42581	20598	71546	595	28423	33979	13147	60746	24221	27105	9988	29664	49674	61096	40014	50158	87946	15722	53414	48529	21737	44146	1095	32555	74346	41060	30527	35919	44914	53376	98494	21322	58560	54068	500	46568	69900	Lipid	0.5	1.375	0.0
0	C15 H22 O7 N2	343.14996	343.15063	-0.026678538	343.14996	11475	11512	11889	9769	9100	1529753	2550	16523	8669	4985	0	6784	14611	0	4924	0	4903	15018	11873	5844	7657	11755	7123	12584	4031	0	0	1814	19180	8092	13538	15897	21631	15332	9103	15065	17194	3431	7424	6505	3535	64150	0	0	0	4881	2614	0	18279	7860	11957	10240	11279	0	11619	5874	3245	17771	5317	4184	5410	1825	12588	12198	4180	11223	12104	10389	588	1682	0	15315	17395	13841	0	15163	0	6839	3589	1691	2495	1101	0	0	4510	3154	3656	8504	12744	6239	7690	7926	19097	2561	0	0	10089	9250	3518	4054	4080	12640	12085	8697	1845	17656	6061	0	3955	25227	Peptide	0.46666667	1.4666667	0.13333334
16	C15 H22 O7 N2	343.14996	343.15048	0.223868	343.15005	7705	10072	11837	7975	7184	9834	11169	22818	9178	4397	5618	9910	8211	7391	11297	16901	10721	7625	15678	6130	7734	9943	12614	19462	10445	5283	9021	4388	16944	15063	14237	13780	17495	13321	7510	14312	21880	12188	15492	11054	12383	9241	386	0	310	6419	9273	0	21443	13251	13445	10574	10965	0	0	4548	6528	14787	7165	6714	16441	7601	5939	8723	4401	0	13760	17205	0	10645	0	12760	15234	16913	34775	10967	0	8862	10074	7102	6954	8053	11721	2787	7223	7088	13686	10302	10508	0	17148	16060	0	1656	6878	0	9009	18006	7126	2885	7505	14624	5277	16102	0	15601	3509	0	11576	13337	Peptide	0.46666667	1.4666667	0.13333334
8	C15 H22 O7 N2	343.14996	343.1505	0.015373244	343.15	126070	131154	112022	136783	59145	65520	99197	169655	83056	81238	50887	104463	90783	30575	134832	187135	141909	118578	133410	103021	100890	165744	128546	178029	91671	6598	105841	47174	156201	136270	148584	161402	179729	139139	124947	144257	186370	114230	169350	95925	85099	82529	879	0	0	113969	98929	0	174931	135752	128557	134354	85207	338	126422	49151	61666	160882	153487	106714	193799	63378	96261	93936	50137	96181	87731	171507	16387	31443	25129	151955	133771	147176	95478	144624	0	103313	106470	55925	88861	68042	95767	38076	59449	57997	108568	93330	103142	180553	102118	170181	273023	79823	94175	464	132098	132492	49751	48741	55669	175211	97642	176421	50955	161023	67873	0	99524	125226	Peptide	0.46666667	1.4666667	0.13333334
4	C15 H22 O7 N2	343.14996	343.1506	0.02528586	343.15	45493	46744	42148	46766	29316	30336	19876	52248	48316	27363	21295	33194	59569	15446	40076	53634	59942	61967	66397	37072	34844	70264	43114	58492	22643	3007	23771	11676	44026	36605	41024	41611	62082	36647	42064	50037	56967	32478	74666	31234	37745	37285	0	0	0	37802	39458	0	51312	41619	48257	40617	33117	0	63657	29771	23530	49864	45975	46387	53285	22585	73459	57385	24832	45088	36086	62959	7800	8424	6784	43744	34152	49724	21657	33458	0	31236	31853	15145	28938	21597	25808	9428	42403	28809	31163	39159	43884	61111	45972	57688	88025	23726	24911	0	41869	53681	28660	35606	34134	51666	31514	58315	25376	55284	33889	0	24796	93812	Peptide	0.46666667	1.4666667	0.13333334
2	C15 H22 O7 N2	343.14996	343.15067	0.081433214	343.15	52236	50614	44769	48162	50551	83982	19079	97184	51767	23440	22013	46699	79155	17294	40426	21476	41280	80353	82563	23466	38166	59809	37691	41438	14161	1218	5606	12713	59175	61057	56605	49008	88050	68836	39897	42008	61140	26815	45723	26051	24328	43391	0	0	0	23021	17869	0	94551	32941	48836	48413	50605	0	69402	25935	18311	63022	26267	25187	20700	11180	94725	74649	17302	66516	49312	51836	3146	8449	6485	70631	65050	44588	6280	60116	0	135062	25808	11149	20996	10484	13352	5329	34000	21058	27692	50389	55477	62260	33582	55928	92456	19108	9474	0	50154	49420	24344	32986	32550	95560	278789	34578	11396	69199	27232	0	18541	119788	Peptide	0.46666667	1.4666667	0.13333334
28	C20 H22 O5	343.154	343.15442	0.053100467	343.15402	27389	23643	22430	22356	29320	18738	12594	28545	20834	30593	22936	11929	36627	23708	17804	29345	21575	30729	36143	35520	37528	27646	23698	30599	16129	48427	14445	26464	22747	22726	21806	17776	25859	20000	35143	24093	24821	14795	18554	22472	29937	18867	5225	4205	7308	24299	21052	4460	26133	20570	24182	23011	25129	5951	26979	28321	14784	26374	12690	14439	27093	16039	28626	21633	14927	39682	23421	20455	47510	54463	68173	20210	17673	19417	16842	22529	8083	15733	23748	19652	19556	14847	15454	22145	28417	15155	27832	20469	21095	22959	25525	22719	34786	15261	27082	4579	22492	27577	21168	43064	48663	26404	16550	22343	15276	24320	17616	3553	17559	27944	Phytochemical	0.25	1.1	0.0
20	C20 H22 O5	343.154	343.15442	0.06294593	343.15402	844213	869083	834983	738327	749405	566276	442674	705310	624117	1239178	939679	461829	851432	512851	563608	797732	571195	789650	925186	1569761	1584787	872883	603340	867160	514855	2626042	421177	917920	683314	627762	568987	629051	773235	680841	1350484	595365	862989	479314	560424	1153378	1249532	530641	29562	12494	7868	688446	713392	14377	693924	598189	836083	860134	604976	13159	620331	628864	463495	780484	536852	531545	724227	732449	769518	567859	347308	773908	595879	614531	2048239	2498077	2936619	658953	639087	584856	558639	640520	5735	465850	730708	622197	593029	459137	515658	861911	691306	467699	720724	602201	581906	791980	778735	768619	1022569	681052	780352	22171	828675	866140	540858	730160	805395	746695	480954	844540	477583	697327	556511	13740	555957	802517	Phytochemical	0.25	1.1	0.0
24	C20 H22 O5	343.154	343.1544	0.07362219	343.15402	236109	223537	206173	227899	229769	173561	77629	171824	194750	391460	331761	102327	341980	166151	130454	190748	118325	297052	299407	433055	439281	245653	166161	196834	129864	620167	74041	315006	155468	151302	139656	156196	183048	159068	441579	158753	225081	108317	123602	318691	300600	129806	23422	7795	12647	211944	179874	13730	172884	140100	207751	209151	179685	11800	224452	218629	123231	200845	136723	104986	209858	233085	239676	189908	92416	305002	207873	121786	568533	628642	678067	173593	139396	130344	85595	146318	8041	123406	205889	169589	153707	143648	122186	237854	223642	134097	188233	149581	166987	180482	192967	198472	279000	187429	265438	14991	228052	229565	170231	282854	289446	177419	107012	219721	134182	189627	157602	10112	136810	283969	Phytochemical	0.25	1.1	0.0
26	C20 H22 O5	343.154	343.15445	0.11301552	343.15405	70078	64664	64614	57904	78567	45537	26731	67100	58176	81819	67464	41828	99438	55149	49508	79159	48903	88844	95100	104267	116097	66971	51304	70748	40400	147140	23842	68578	60088	53204	51231	50522	64035	51237	100299	59889	65536	38166	44854	81263	91403	48782	13691	7770	15168	53883	65952	10399	52841	61452	68168	65219	59976	9561	77401	84381	42543	62318	38733	33857	63543	50504	84473	55253	37624	94640	60824	52144	148559	160754	185879	54365	47774	48760	33707	55041	14255	39507	63124	46521	52435	42100	41071	63247	83066	39105	65251	49503	44799	56065	58628	56775	85257	51486	72661	11832	69804	66125	52250	101509	105608	65891	40887	61454	35975	52859	60597	7425	41774	71661	Phytochemical	0.25	1.1	0.0
18	C20 H22 O5	343.154	343.15442	0.046075836	343.15402	826968	821117	763421	714810	615823	479376	516128	806278	512418	997620	787455	484261	672194	421333	557286	855229	651756	661078	822744	1330836	1223894	756870	637228	839079	490213	2185950	492175	762495	650692	648912	621393	705770	785242	646542	987388	626549	739710	515083	714129	972238	1080961	473703	21215	6980	6406	629083	634662	7883	719781	647676	801295	791330	537434	8646	627187	543658	434659	841225	499949	582649	774668	642354	681284	513659	348790	647626	562197	757547	1747134	2110007	2737029	661633	535088	622523	647348	739031	5112	455308	799464	552919	695729	521083	531649	677798	684147	482618	699059	552199	547840	823579	715044	723494	994694	508538	728033	12277	776288	728351	538260	674791	693616	765303	461827	775082	352035	622369	437770	5957	592050	618467	Phytochemical	0.25	1.1	0.0
22	C20 H22 O5	343.154	343.1544	0.062816	343.15402	588729	603578	481569	574973	587559	447838	251143	464193	464793	983238	794540	263847	561840	406836	378312	456062	315191	640178	584881	1168421	1242870	672111	414698	580268	381386	1777727	243628	769291	471145	356664	392399	439208	508320	454465	1015968	432317	591725	293807	306157	851914	851560	366831	43517	20471	12828	506228	472393	19770	425187	365956	586366	558732	437508	18649	483436	494109	301838	474067	360980	322903	524100	604525	593725	428889	243203	651209	472700	342986	1469766	1874374	2091855	441973	361250	347158	233367	405469	8025	296736	490707	420210	417836	352206	340069	591323	525013	342191	475458	406745	409341	475655	548398	560567	667713	512546	695262	30757	520318	556200	424528	647395	580214	512358	291916	535905	354380	461995	420677	15507	346631	625307	Phytochemical	0.25	1.1	0.0
20	C17 H26 O5 S1	343.15738	343.1578	0.18028325	343.15744	11471	13762	16404	11439	24274	19768	9407	8059	23826	12183	7792	15908	24820	21680	11701	13968	23804	29737	31627	12621	21040	15210	10540	13399	18441	0	8686	6629	13789	10311	8975	25320	15158	13435	12289	8905	19361	8805	11716	7676	9675	16168	632	0	474	20816	8902	0	11596	7848	11079	17533	21110	0	15670	13565	17049	20785	10102	6649	14365	7668	13750	9979	24432	36752	38605	13726	4684	6780	0	8895	8507	6873	26126	7554	0	7446	9231	14072	6772	6002	21654	0	15544	15896	10923	13499	17137	15285	30637	32253	19755	9656	10088	0	11099	17342	14566	21152	14920	14302	6705	13832	7587	26550	14178	0	19056	11721	Organosulfur	0.29411766	1.5294118	0.0
16	C17 H26 O5 S1	343.15738	343.15796	1.1357982	343.15778	56222	52968	52870	113252	51045	171718	38001	58770	48670	64659	36101	37261	75054	26850	53911	0	45231	92583	0	94966	86557	57492	57956	0	51187	89373	52472	33545	65492	64665	49739	53163	0	48526	83103	59436	77588	34186	37425	73031	53723	53772	1289	0	495	52210	50964	0	0	56838	0	54780	47767	350	79887	48069	30811	56774	43425	37094	52551	51315	59188	52050	46008	55685	41025	36965	82179	0	91131	54685	0	54340	39675	50159	0	35350	43139	0	34301	0	38600	0	95168	38326	89746	40047	48673	42913	51356	76383	67644	0	67891	867	49626	62175	35064	35934	48995	0	30958	58848	30476	48942	50888	312	67920	0	Organosulfur	0.29411766	1.5294118	0.0
2	C14 H22 O6 N4	343.16122	343.16183	-0.0315632	343.1612	14469	12463	9448	16110	9935	0	7269	10773	9506	1964	4139	11256	11445	4851	9946	3836	20342	11519	12684	3163	3872	12588	12311	12079	4903	0	2073	11196	11072	7501	13322	12174	18507	12793	5299	12631	14347	8108	25252	2450	3322	10600	0	0	0	3729	2919	0	13801	6699	11620	13821	10923	0	11439	4298	6858	17268	4116	4450	4636	1486	8946	9980	7565	14100	11453	29583	0	767	797	10526	10822	7415	1132	8684	0	6666	10722	27418	6946	0	2073	616	7419	7852	12296	10914	11276	28710	11190	15113	29562	5102	922	0	11433	11298	5274	6183	5659	11809	8805	3616	1730	19849	7048	0	8022	14266	Peptide	0.42857143	1.5714285	0.2857143
10	C19 H22 O4 N2	343.16522	343.1657	-0.044361845	343.16522	116363	110201	106166	109332	9258	38365	18941	39359	8699	73768	72048	16921	12874	12833	22093	34857	29481	14748	17689	71396	72430	32401	20648	41722	25993	82355	20544	250708	31725	26831	27446	34918	50724	33868	61887	31946	43939	18037	36437	62357	46598	27143	0	0	0	36641	39219	0	41091	29789	109440	106933	15350	0	9114	7932	9593	38020	2289	14472	36478	24999	5716	5360	9914	13204	19401	39037	57438	97951	91825	32047	28290	23454	34789	29366	0	19980	25374	85869	21055	10320	8449	40066	7040	5857	22304	23194	18601	42114	6352581	2604588	56314	82531	89250	0	113889	105108	7682	9257	6121	43686	19213	30642	0	39066	6461	0	22415	5269	Phytochemical	0.21052632	1.1578947	0.10526316
18	C19 H22 O4 N2	343.16522	343.1657	0.15436967	343.16528	16326	17924	14217	15248	6808	7498	10996	14956	5208	26894	31286	11787	8521	3949	15752	24150	21666	9101	12858	35928	35252	27996	12149	34288	14402	40196	14427	32252	15880	19713	15118	15155	28256	12974	23284	14492	21636	8860	25328	35999	52115	10231	0	0	0	18450	24583	0	19779	15252	20098	22330	6728	0	11041	6254	6594	22113	12202	22069	18894	19696	6052	4475	5754	9939	11037	25054	34845	35225	63214	14762	14602	12408	14643	16943	0	10351	12111	29153	15963	16226	13171	31710	5525	6098	15213	11791	13203	48170	31254	20082	34437	27676	34924	0	19720	18704	4210	6999	3173	21442	9054	20547	12619	24270	7837	0	14331	8072	Phytochemical	0.21052632	1.1578947	0.10526316
12	C19 H22 O4 N2	343.16522	343.1657	-0.048542067	343.16522	25883	30052	24534	25238	10655	10710	20067	32583	7398	42234	37335	16878	5784	9494	16426	36611	29243	10630	17758	70830	67580	40856	16512	31464	21480	68023	15355	31899	26316	20073	28153	26911	34946	23358	53981	24448	27854	16184	33959	50299	48084	15771	0	0	0	35819	36905	0	32524	24331	26211	26179	13417	0	7577	7269	8342	30760	0	17803	22289	28965	3364	7731	5814	10017	17383	40050	46846	82917	95886	24824	24789	22781	24203	23184	0	20777	25322	35917	21702	13520	7627	36411	6524	7349	21320	15924	12868	60633	58834	26552	47842	33929	50291	0	28241	29594	5815	4044	6371	28784	14656	19299	0	36903	6129	0	22010	10196	Phytochemical	0.21052632	1.1578947	0.10526316
6	C19 H22 O4 N2	343.16522	343.16577	-0.042175326	343.16522	20448	18236	17344	17548	8548	11027	10288	24826	5726	43309	23781	15212	6143	6084	15708	32060	18029	7278	13356	43964	44996	21004	14773	33330	14140	41741	12045	24197	22910	22319	20583	22999	24454	21092	42988	20426	23853	11890	25060	26560	27227	9954	0	0	0	24620	28829	0	28365	21484	19951	18859	11394	0	6571	3317	5389	24581	1132	7131	25200	16554	5912	6457	3774	6558	11541	30080	28903	54474	53463	21321	18208	18244	19148	18995	0	11621	17558	23353	13439	6813	5508	22389	4750	5228	18376	14812	10413	31938	32737	11977	36363	21636	44462	0	21492	18907	4234	2998	5161	23341	12943	22754	8723	20319	3061	0	15247	6851	Phytochemical	0.21052632	1.1578947	0.10526316
16	C19 H22 O4 N2	343.16522	343.1657	0.13120952	343.16528	27435	27991	22201	28402	8496	10499	17961	21532	6945	34944	31705	11764	5109	8067	15278	27520	28873	8613	14683	45837	48002	30977	15258	29031	18211	53274	18399	27464	17566	20380	18663	26666	26039	20818	41080	17095	23788	12239	31906	35511	54911	12890	458	0	0	29525	36653	0	23194	21875	23351	21448	10210	0	11266	5094	7801	25737	10134	26662	32001	22628	7362	5878	5367	9611	11865	29747	42811	56115	80880	21251	17267	17818	22587	16667	0	8566	15748	26986	13831	18955	17007	37549	4027	7062	21793	16400	15589	50001	36741	35474	43533	29813	42192	0	17687	20453	7537	4662	5009	24598	10697	26435	12279	23602	5055	0	19300	7704	Phytochemical	0.21052632	1.1578947	0.10526316
4	C19 H22 O4 N2	343.16522	343.16583	-0.0316545	343.16522	11395	12224	10712	11332	5432	6786	6723	12848	4380	20477	12323	8231	5297	6742	11121	13883	14413	5764	7760	19686	24948	14844	11391	15233	8219	21231	8588	11394	12582	9803	10067	9590	8927	9155	22176	11905	11564	8964	15860	17096	16492	6565	0	0	0	15839	24449	0	10681	14290	10019	10699	6246	0	5855	4142	4878	11964	1205	5516	14769	10279	3453	4879	2544	4415	6444	14052	15864	22453	23064	10664	10040	11236	13105	8626	0	8480	11733	19799	10668	6828	4515	12413	4778	4123	11277	7243	6338	18788	16040	6480	19926	13285	21327	0	9271	12292	6633	3989	3434	12758	7560	14288	12617	9970	3390	0	9900	3058	Phytochemical	0.21052632	1.1578947	0.10526316
28	C22 H23 O2 Na1	343.16684	343.1671	0.1734374	343.1669	2784	3074	3602	3054	0	0	0	0	0	0	0	0	0	199467	0	0	0	0	0	0	0	0	0	0	0	0	1886	0	0	0	0	2372	0	0	0	0	1586	0	0	2585	1402	0	0	0	0	0	0	0	1220	0	2992	1727	1845	0	0	0	0	0	0	0	0	0	1132	0	60498	1336	1474	1153	0	1172	2029	0	0	0	0	1294	0	0	0	0	0	1055	1182	1638	0	0	0	0	0	0	0	0	0	0	0	0	2385	2670	0	0	0	0	0	0	0	0	0	0	0	724	Phytochemical	0.09090909	1.0454545	0.0
8	C17 H26 O7	343.17514	343.1757	-0.018017989	343.1751	9326	7532	7575	16588	4309	4761	10210	15694	5531	0	2881	9208	5826	3241	21942	32440	15721	6124	6407	8813	3939	11103	17698	13712	10493	4132	23510	4456	14935	23264	22466	27794	23604	15560	12278	25184	18684	19294	13398	4316	3471	13360	0	0	0	11905	6319	0	30446	31238	9073	17474	4709	0	20782	6007	4817	12772	20470	7595	10450	2878	5704	8198	2663	6104	10256	10738	0	0	3873	15840	18174	33854	9159	29446	0	16108	26242	0	10014	7623	11813	2576	7839	4223	23640	2438	5873	12017	0	10829	28016	4267	3421	430	20718	10704	5465	8952	6772	23028	7291	21214	0	12769	8040	0	8029	10168	Lipid	0.4117647	1.5294118	0.0
22	C17 H26 O7	343.17514	343.17557	0.08158016	343.17517	35507	25668	32757	42626	31729	40946	27562	37484	43640	43744	15468	16605	53575	31765	42412	23787	11784	77708	55429	41983	28426	31310	29159	29476	39876	6172	25578	24337	56022	37962	37197	47940	52903	41001	39750	44219	64273	29451	12043	24684	6688	27538	3106	0	1407	19695	5493	0	37670	28160	34626	35532	41336	1857	95676	36546	17985	43383	40087	7580	39193	17774	54231	55818	22781	53868	45638	14288	4180	21024	4108	31158	35312	49841	16624	35917	1702	29969	21837	16891	23059	12383	33598	20443	28692	28972	26562	20431	35394	13112	64806	70052	36885	18309	29612	0	36585	33371	21141	23961	27813	51259	19413	35602	23983	31744	24455	0	21955	70549	Lipid	0.4117647	1.5294118	0.0
6	C16 H26 O6 N2	343.18637	343.18692	-0.029314443	343.18634	35865	41073	35753	39239	21446	20892	27785	43168	28124	19196	7900	35502	33283	12813	37428	45212	41770	37948	56107	22930	18081	45131	29702	46638	37593	1439	26610	7112	45878	41740	51020	48012	85328	35150	33659	44766	80785	23380	51480	14674	10704	31291	0	0	0	25635	11189	0	54065	35603	39394	36554	28089	0	40297	13647	16310	62992	15521	7897	44754	7510	40237	27029	13018	31351	38341	51857	2963	9043	4778	35183	32561	52341	18703	33060	0	33020	39098	36580	15878	7876	12911	5840	17967	21989	45074	23237	32573	53372	60867	76029	83792	18821	17210	0	39574	37812	14852	13879	16919	83446	27837	31150	0	46937	19773	0	31498	48185	Lipid	0.375	1.625	0.125
8	C16 H26 O6 N2	343.18637	343.1869	-0.003951691	343.18637	22973	23594	17942	23047	15417	13442	16995	26401	13113	16218	6192	13487	17031	9018	22456	33667	19395	18371	25489	16120	15477	33598	20367	29727	21505	1248	16648	7584	26272	19066	23152	24335	35234	19445	23277	25793	33252	17546	23880	13792	9042	14325	0	0	0	15142	10545	0	29616	19588	23981	25002	14863	0	23209	6106	7771	35835	13424	7171	28566	5610	15945	18835	7258	15220	15078	25289	0	6281	2128	22330	19784	20570	20277	25247	0	17981	19213	12090	15708	7479	13432	3996	12801	9584	17237	10355	12928	25586	32932	54489	52703	7531	10326	0	23608	24761	6892	6609	4244	30849	16115	23575	0	30606	9061	0	18074	22927	Lipid	0.375	1.625	0.125
10	C16 H26 O6 N2	343.18637	343.18683	-0.025638502	343.18634	19925	18331	20496	19004	10927	13354	10581	22676	7123	8857	4248	12343	12052	6531	19583	29517	18079	17216	20728	13325	9926	26832	15657	26492	22583	1619	16542	5863	23676	15514	18018	20537	28561	19939	15905	23607	32544	13059	19168	9534	8198	15825	0	0	0	12422	11495	0	19118	19381	22009	20147	14558	0	16872	5494	4483	29763	13269	8102	28320	4865	11236	6643	6157	14824	14902	21348	0	4818	2601	20370	17505	15633	16277	16594	0	14719	17116	10223	10193	9687	13702	4887	9782	8437	23858	11250	11620	34152	35245	35329	59952	7828	11741	0	19288	16451	8081	6863	7802	31635	10990	25873	0	27418	8207	0	18579	19846	Lipid	0.375	1.625	0.125
14	C16 H26 O6 N2	343.18637	343.18683	0.044698145	343.18637	19028	17978	13509	13298	7421	8846	10886	12012	5504	8985	0	9679	6815	2570	14054	22116	15210	11055	9431	8220	5546	19731	13487	23313	17865	0	10624	0	16861	9539	15858	21301	19992	13556	17159	17822	24980	9773	13510	7398	3875	6842	0	0	0	12210	6670	0	14814	14543	12874	16575	9615	0	12371	3832	4989	26241	7020	8027	0	3239	4246	4036	3157	11858	8132	14806	0	1853	1270	13360	10144	11465	10507	9301	0	10587	10694	0	8772	5521	8341	3045	4059	7508	19494	9830	8766	28797	153572	60861	46736	5714	7456	0	16002	18099	3388	2477	3461	21244	10597	12529	0	18924	5749	0	12555	7338	Lipid	0.375	1.625	0.125
16	C16 H26 O6 N2	343.18637	343.18683	0.100759625	343.1864	10220	9946	10935	6702	3176	4119	6469	13165	2084	3189	0	6313	2326	5311	7809	13274	7408	7565	4843	4706	2428	9065	8976	13944	11711	0	7308	0	9358	9849	9993	15333	18395	8979	5457	11993	15900	3960	9099	1782	0	7099	0	0	0	4618	3185	0	10712	9297	8771	6552	7678	0	2341	2062	3052	20872	3708	2452	17161	1750	2871	2850	3548	4989	7670	5382	0	0	0	7404	8103	10743	4553	8327	0	7061	9734	6311	3945	2953	3608	0	2824	2125	12454	5783	6714	0	30070	19712	0	0	3926	0	9037	8032	1964	0	2277	10357	8329	5506	0	11627	1896	0	9579	4574	Lipid	0.375	1.625	0.125
12	C16 H26 O6 N2	343.18637	343.18683	-0.013101319	343.18637	15741	15356	16053	16816	7928	9118	12889	19618	8186	7486	2501	8021	8772	5492	18542	22441	20429	15245	15971	10746	7853	19090	14140	20417	16255	1533	8989	0	21253	12309	18564	18818	24587	20939	8351	20065	24827	15795	22214	9748	0	10585	0	0	0	9553	6421	0	18704	13979	16112	12300	8098	0	14774	2226	6394	20519	10100	0	20257	5705	6968	9484	4533	10900	11712	25642	0	6976	2182	18713	13438	22235	14974	19375	0	13825	17516	0	12100	6155	9986	3885	5685	7032	17908	11280	10217	34539	31518	39335	46136	8585	7417	0	12789	18479	3830	4724	3479	21514	10928	12611	0	21706	7179	0	15901	14406	Lipid	0.375	1.625	0.125
28	C21 H26 O4	343.1904	343.1908	0.021951891	343.1904	32115	30760	29274	33443	30412	18409	21424	35896	25967	25751	22495	18798	32248	25119	24737	35887	33698	33103	47931	35105	35426	31481	31194	35348	27642	52942	24460	28151	39539	35767	31686	35119	44803	29807	35948	40127	39117	23479	35133	25374	29200	26907	5004	2540	4280	23264	15096	3437	36274	30399	32270	30480	30044	4805	27891	26761	18274	43097	20676	17984	34747	14789	28972	23132	17234	44288	31653	37901	45206	46649	57980	24302	26964	38023	24236	31951	4083	22578	31602	24808	20848	14941	21141	22534	32838	16556	40649	23041	26505	41010	39166	35655	49124	22613	24324	3312	30098	26827	20425	44629	47711	45842	22373	34967	17101	35886	23981	3714	24583	25084	Phytochemical	0.1904762	1.2380953	0.0
24	C21 H26 O4	343.1904	343.19077	0.0436773	343.1904	610860	602923	546328	593735	579380	456967	279987	549899	430919	793969	786614	314805	607366	382295	430080	618527	470154	616718	781292	1105644	1103776	686680	404597	601769	436373	1636247	281438	787479	545844	533134	477515	577774	668761	531481	942238	623534	771312	371650	487358	787968	777838	418580	27363	6037	9033	519254	439336	7544	619653	445764	578844	563307	480326	9507	512150	401460	301610	634616	473676	314168	604056	537599	479715	394950	236562	631354	537040	490008	1307795	1440767	1609633	516605	503865	480356	391368	529596	6038	378918	472094	463554	347706	376321	422157	589248	468060	326627	521015	392692	508668	525359	714450	701132	824880	552587	744708	11009	600892	617957	412365	459710	485990	721425	327947	691959	370047	550264	382352	8345	409141	492582	Phytochemical	0.1904762	1.2380953	0.0
26	C21 H26 O4	343.1904	343.1908	0.09722073	343.19043	193093	195124	186101	179209	187267	323894	84718	203121	154176	188798	221619	105385	219663	134369	175343	187418	132866	209148	263108	298721	279313	337331	173098	262508	258978	423583	90903	242722	198733	182059	185161	186214	231149	162850	262524	213736	250193	147704	136350	219549	194505	166735	10643	6935	0	207999	127886	7599	185032	151985	205528	183759	147673	0	176006	153049	111492	237650	169701	96549	213807	147485	179344	140678	90717	207114	200106	148668	363820	366731	350077	152574	144251	172341	118020	161888	0	126063	200510	196828	242138	174869	147063	179899	170292	112477	224385	129391	140151	163599	292579	325389	454193	257396	289494	8108	198720	213075	121039	185800	195820	247779	109478	204526	192855	175156	139939	8035	229660	164551	Phytochemical	0.1904762	1.2380953	0.0
26	C18 H30 O4 S1	343.19376	343.19385	0.06889888	343.1938	0	0	0	0	2671	0	0	0	0	1909	0	0	0	0	0	0	0	0	0	0	0	1906	0	0	0	0	0	3038	0	0	0	0	0	0	4205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4853	8405	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1524	25889	22139	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.22222222	1.6666666	0.0
20	C18 H30 O4 S1	343.19376	343.1942	0.77697664	343.19403	760526	817956	774141	697899	638770	525781	538778	735277	466032	877446	762236	537981	559035	400961	581249	943714	893034	628981	848990	1125178	1092266	661172	597184	808441	531073	1810316	500663	681916	749568	602860	562913	686858	770693	640422	817164	736056	833288	527990	906962	687587	1027692	594011	20706	7680	3481	514550	546267	7270	761773	617924	742520	783434	578568	5645	554886	475985	421811	806601	502728	645531	789549	470276	543808	454855	324920	622818	547148	959921	1461036	1722005	2271987	601497	627794	668489	920868	715501	2398	452215	734012	613692	512900	369447	602184	566335	656928	467336	798865	611434	581863	962344	4646809	3594399	796682	509471	705616	9448	810189	945309	465349	666930	743824	922798	538362	856829	362037	659440	575290	6233	606709	492926	Organosulfur	0.22222222	1.6666666	0.0
2	C15 H26 O5 N4	343.1976	343.1982	-0.007324745	343.1976	17992	13541	14167	14783	2539	0	5100	17053	3031	2817	8926	6022	3400	2773	7343	6778	9350	4790	3849	1909	1691	5416	5763	12541	5189	0	2209	108774	10148	5383	11478	6804	17255	7758	3069	7600	15197	5553	9417	1450	874	0	0	0	0	3818	1600	0	10527	5684	15539	13925	3338	0	3878	642	1690	10842	1181	554	6399	483	3525	3008	2538	4779	4268	10572	0	766	0	14295	8912	4881	2179	7572	0	6717	5998	820623	5399	0	870	515	1706	3330	8220	5383	5662	13701	335747	255721	14894	61848	972	0	18980	15087	2225	1183	1558	8051	5953	2154	386	34598	1792	0	7165	4093	Peptide	0.33333334	1.7333333	0.26666668
6	C15 H26 O5 N4	343.1976	343.19803	-0.04020549	343.19757	1513	1383	1160	2405	0	1217	909	1416	692	0	1669	456	877	0	1557	2659	1295	0	0	0	0	1988	1655	1334	2347	0	597	8194	2641	887	607	2334	2945	883	0	1034	2247	1318	1144	0	0	754	0	0	0	0	0	0	2230	913	2160	1947	468	0	0	597	379	2359	0	0	0	0	0	0	0	0	0	2273	0	0	0	1042	1121	1040	0	1059	0	1342	1351	9656	851	371	367	0	0	0	1509	563	662	4459	21250	9604	5134	1557	1054	0	1748	1385	580	667	0	2224	900	0	0	1247	610	0	1891	920	Peptide	0.33333334	1.7333333	0.26666668
0	C15 H26 O5 N4	343.1976	343.19824	-0.119844206	343.19754	3797	5003	4706	3996	2920	27114	2301	4415	2984	1251	2822	2612	3030	0	3684	0	5316	5176	4085	0	2073	4234	3633	3799	3364	0	0	18251	7316	1919	5293	4657	9289	5508	2278	4138	3992	3194	5693	0	0	4863	0	0	0	1391	0	0	3700	1750	4893	4822	3126	0	2943	1394	1608	5862	1161	881	2554	0	3694	2421	3212	3155	3894	5293	0	0	0	3426	5489	2937	0	4472	0	2191	3127	139266	2456	605	0	0	2699	3360	5013	3658	3841	6650	88421	45785	10319	15987	0	0	5932	6418	3294	808	3313	3821	2391	1833	0	4281	3543	0	3344	4537	Peptide	0.33333334	1.7333333	0.26666668
4	C15 H26 O5 N4	343.1976	343.19818	-0.053959828	343.19757	3822	3006	3542	3356	503	2660	1302	1771	1231	0	0	1561	1673	0	2592	5527	1787	1511	2049	0	0	3750	2847	4759	4462	0	1722	7971	2497	1894	1960	3056	3164	2845	0	2704	2599	2401	4731	0	463	985	0	0	0	1535	0	0	2867	1562	2999	3213	1336	0	2268	611	884	6188	796	424	4585	0	1498	928	0	1454	1090	2910	0	1322	0	1854	2035	1798	1477	1618	0	2135	2186	264594	2807	0	867	0	1704	1423	3924	932	899	6892	78003	21692	9491	7644	1512	0	3421	3624	1015	855	1548	2916	1397	0	0	3652	810	0	3106	1949	Peptide	0.33333334	1.7333333	0.26666668
28	C23 H27 O1 Na1	343.20325	343.20358	0.09029618	343.20328	0	0	0	0	0	0	0	0	0	0	0	0	0	16423	0	0	4264	0	0	0	0	5808	0	0	0	0	0	0	0	0	0	0	913	0	0	0	3679	0	24572	0	4047	0	0	0	0	0	4769	0	0	0	0	0	2115	0	0	0	0	0	0	6739	0	0	0	0	1071	3002	0	34509	0	0	1782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1089	0	9333	0	0	0	0	0	0	0	0	0	0	0	2251	0	0	0	2518	0	0	0	0	Phytochemical	0.04347826	1.173913	0.0
14	C18 H30 O6	343.21152	343.21185	-0.06449113	343.2115	2699	2618	4825	3529	2126	1908	8324	3561	9831	0	1690	1340	0	2119	1633	4897	6067	0	0	0	0	0	2929	0	3301	0	7843	0	2554	3581	2629	0	3222	3415	0	3361	2644	1237	7145	0	0	1167	0	1146	585	0	0	1630	5117	2455	3000	5131	1382	950	17655	921	2621	3332	0	0	0	0	0	11318	3314	0	2277	5252	0	0	0	3927	4463	5691	4726	2987	611	2287	4097	0	2253	1230	17630	18574	89498	25491	3260	0	1399	0	2804	2143	0	0	0	1286	4731	5732	1774	30508	26501	0	1720	0	0	2568	35939	1234	1131	1623	Lipid	0.33333334	1.6666666	0.0
20	C18 H30 O6	343.21152	343.2119	-0.016845565	343.21152	43518	36238	40024	36231	13754	16472	158907	34429	6154	5002	4550	20818	14235	32598	25994	70896	50126	12995	20260	3662	3877	62665	18939	112884	126650	23034	128107	25928	52682	34944	24720	53155	30853	36005	2782	40403	28172	21992	57588	1531	5647	32406	5376	0	259	20745	6777	450	45507	21598	44028	38010	16404	2541	11250	12554	15585	94503	5703	7147	59210	3038	12266	11207	46683	26643	86695	65344	1685	3147	5614	17001	33089	34536	37204	31623	469	15094	75994	66690	91846	81699	148687	99178	11301	29213	56754	20816	46394	472243	62377	39343	271671	17490	4847	1138	33629	43190	11515	9238	13558	29401	17658	12675	25691	99387	11288	862	278487	11073	Lipid	0.33333334	1.6666666	0.0
22	C18 H30 O6	343.21152	343.2119	-0.014196897	343.21152	23773	21286	21533	27785	21712	20308	100871	23296	14363	6662	10575	13467	23331	43345	23393	18219	13615	28777	31072	7103	6804	6794	13154	10738	24314	7260	83108	219471	42590	30659	20917	40703	36477	31633	8448	37577	38788	15254	13075	5153	4309	21092	7390	0	864	8012	5019	0	30677	19891	26723	23537	21651	1788	19337	14281	15245	32287	13602	11251	23986	4179	26910	13465	38926	50216	49347	12994	0	4186	2120	19409	27572	29897	17453	27292	605	14041	8598	63086	5368	14213	77218	59878	11027	16343	17992	16546	27597	12255	103705	65184	14840	9987	11466	0	19606	26570	12874	10716	15516	46680	14759	23753	30466	17083	13666	0	13516	17916	Lipid	0.33333334	1.6666666	0.0
18	C18 H30 O6	343.21152	343.2119	-0.041186575	343.2115	15971	9260	11629	9379	5144	5710	66152	13195	2706	3247	0	3523	4970	14479	6845	19870	18303	5216	6941	2411	0	3869	4484	8552	8962	10838	52976	7919	18823	15093	7845	23097	19902	11651	0	17705	14925	7321	21176	0	3068	9135	3138	0	278	5467	2631	352	20320	11526	8100	11155	7965	1419	2417	3751	5289	17145	1742	2738	18513	1850	3522	1436	12379	12372	15657	15859	0	2985	1616	10489	10729	16764	19484	11276	253	4413	3959	17263	6353	2755	103428	74262	3933	9363	15052	7967	6688	9777	22761	15402	12436	3789	2089	953	10544	11383	4159	6642	11881	11759	7367	7821	3669	13008	4570	399	8558	3636	Lipid	0.33333334	1.6666666	0.0
16	C18 H30 O6	343.21152	343.2119	-0.023833059	343.21152	6474	5234	7564	6207	3928	4400	27694	5509	9534	0	2070	4551	2191	9850	6062	8315	10461	1705	2716	0	0	1750	2317	4571	6882	6919	18587	4278	12148	10014	6997	8067	5620	6513	0	10481	4709	4376	9810	0	1782	5285	4074	2751	1162	2830	0	2088	10344	8044	3391	5540	3664	2474	12980	2925	3518	9009	1514	4012	0	1452	2189	13530	6738	5322	9194	9049	0	0	0	6934	8479	16358	10623	9576	1531	3580	4601	21778	2844	3056	66788	45530	72502	33457	7011	4641	6384	0	8513	4627	0	1332	0	2624	3910	4944	2326	26954	27898	9536	4574	3784	0	0	34115	2529	7091	2145	Lipid	0.33333334	1.6666666	0.0
26	C18 H30 O6	343.21152	343.21185	0.081193455	343.21155	8076	7579	7024	11550	5688	3260	29972	0	3665	5480	7120	8187	5378	6126	9549	10356	0	5364	6409	0	0	3648	0	4987	8761	0	20648	52059	6917	7325	5832	7989	7055	6507	4403	10750	12435	10316	4654	0	0	0	0	0	0	0	0	0	7794	9334	9431	7003	5910	0	6478	0	4873	10598	6143	0	8836	0	3258	3405	5255	7101	6434	5363	0	0	0	4966	7574	6787	9235	8052	0	9854	4976	67625	4866	3609	12488	2721	0	0	3374	3651	4388	9078	59695	61624	12043	10281	9902	0	5280	8228	3587	2314	0	10579	11694	0	25674	7114	6224	0	9680	4437	Lipid	0.33333334	1.6666666	0.0
6	C17 H30 O5 N2	343.22275	343.2233	0.037173163	343.22275	6165	6882	4662	5374	2987	3856	5462	7677	1770	0	0	4488	2772	2042	83361	11740	3648	2292	2463	1328	1229	2794	3808	9814	7384	0	4837	0	18579	3194	5781	8406	8462	4928	1416	8301	4916	4686	4809	0	0	2731	0	0	0	2698	0	0	8055	2901	5292	5248	2527	0	1993	527	1100	17270	0	0	12602	0	1479	962	520	2094	2336	6954	0	0	0	3661	3737	2853	4099	3697	0	8257	5944	3173	2170	0	0	0	0	1443	22398	2393	3949	24958	16133	9741	14638	631	0	0	5575	4957	1145	0	780	6384	3504	2643	0	10274	1469	0	6206	2158	Lipid	0.29411766	1.7647059	0.11764706
8	C17 H30 O5 N2	343.22275	343.22327	0.001684107	343.22275	10432	12995	11087	13547	3444	3637	9031	8626	2808	1032	23338	124895	2060	3195	29830	13749	3647	2177	2881	5574	2934	3488	3156	8109	11775	0	6003	0	15413	18205	30566	9705	11895	7286	2964	8636	12435	116664	3951	1388	857	2176	0	0	0	1729	0	0	10798	4204	9220	11717	3773	0	1043	1828	1555	20935	0	0	20913	1716	1730	1473	1716	3233	4870	5893	0	0	0	3289	3655	2738	5949	24388	0	232716	4483	0	0	0	0	1462	930	0	14262	3199	4640	10693	0	0	11944	0	0	0	11130	9211	1875	1133	0	13108	243818	2963	0	11804	0	0	5606	2234	Lipid	0.29411766	1.7647059	0.11764706
18	C22 H30 O3	343.22678	343.22717	-0.001482654	343.22678	19608	18381	17415	16387	13290	7743	30717	18940	13209	10782	8324	19459	7247	15313	21032	29843	58292	12228	17184	5405	8515	9053	19554	15021	24302	14783	33960	11258	20123	22372	21860	24845	15655	10373	6443	21908	18284	19674	61074	7938	14077	12494	688	313	0	6562	12534	0	24418	16752	16891	17627	13020	0	17240	15436	18321	23347	11782	21985	19946	4187	10868	10576	17064	11289	16482	74757	12274	10109	20053	9969	9682	22467	54524	16783	0	10819	32391	10254	25856	10315	17010	9236	29645	21023	41666	12647	14575	63438	21805	17593	25442	10735	9440	0	22953	19697	13761	30320	39537	30026	15655	13422	6468	16350	17544	0	29312	9116	Lipid	0.13636364	1.3636364	0.0
16	C22 H30 O3	343.22678	343.22714	0.007596327	343.22678	4539	5821	2900	4322	2269	1428	6354	3246	2226	2415	0	3560	0	3365	4561	6679	16445	0	0	1828	0	0	2647	2442	3244	0	7660	1784	1855	5999	0	3523	1833	1577	0	3861	2853	5039	18398	0	0	0	0	0	0	1840	0	0	5009	6014	2915	3511	2119	0	0	7146	4364	4418	1771	5955	0	0	1598	1165	2723	0	2609	20452	0	2965	7531	1242	1632	5898	9552	6473	0	2811	7094	0	6331	1777	7037	0	8034	4767	14620	2554	2787	0	3195	3626	0	1866	0	0	4307	3954	2569	9648	9720	3044	3695	0	0	0	4686	0	8506	0	Lipid	0.13636364	1.3636364	0.0
20	C22 H30 O3	343.22678	343.22717	0.005712655	343.22678	80322	81405	66296	77847	58299	36016	85154	58664	61993	53678	58640	50221	44362	64342	64408	94298	181252	46678	65798	61212	59961	53536	44786	50521	66144	116302	98629	55773	72649	67634	54833	72995	75236	53048	56649	78625	67850	63378	189604	32214	77345	56942	2135	0	441	29187	57465	1012	68821	66057	75708	68958	64880	396	64099	73594	55767	90623	37333	71917	69205	23247	48465	44364	55573	53423	59045	189621	80244	64748	132061	33532	42174	64770	150926	66964	0	40929	99341	67644	57818	30501	75235	50127	91508	74774	130155	53818	59769	184710	66664	56317	81785	44770	51081	0	70153	74333	52385	114666	120412	86378	53388	70870	29742	67671	80319	675	83055	43835	Lipid	0.13636364	1.3636364	0.0
26	C22 H30 O3	343.22678	343.2272	0.05083309	343.22678	218281	221774	198042	192942	192174	108266	165888	232859	159178	177383	312290	141168	151033	144342	204863	296106	298867	176777	293241	273484	236258	255424	148358	181295	235282	648641	184804	349730	244217	289359	194839	254385	278566	164628	245528	297831	241620	178346	318842	220225	268000	441806	5305	0	0	156302	150825	0	231434	220814	226640	209624	181327	0	182437	201174	150866	280787	166395	145753	243483	157444	137155	137878	109662	183122	232454	324711	513247	392634	438196	121727	176177	289491	243702	252915	0	161247	205295	333286	123808	148449	184242	221542	215371	183422	361914	168363	172537	290905	167618	141386	227089	341148	258044	0	206102	239598	149638	228666	258781	405520	156098	262155	151761	183535	186444	0	228705	136458	Lipid	0.13636364	1.3636364	0.0
28	C19 H34 O3 S1	343.23013	343.2303	-0.19514252	343.23007	1217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1458	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33794	75263	0	0	0	0	1146	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15789473	1.7894737	0.0
26	C19 H34 O3 S1	343.23013	343.23035	0.19353326	343.2302	288458	277546	274829	256119	0	5067	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67924	0	0	0	0	0	0	0	0	1839	0	7624	0	0	0	0	0	0	0	0	0	0	0	268261	259361	0	0	0	0	0	0	0	0	0	0	0	0	0	4110	9595	0	0	0	0	0	0	0	0	0	0	0	0	17729	0	7053	0	0	0	0	3131	0	0	0	7643512	13111184	0	0	0	0	273680	342687	0	0	0	0	19161	0	0	0	0	0	0	0	Organosulfur	0.15789473	1.7894737	0.0
0	C16 H30 O4 N4	343.23398	343.23438	-0.22272134	343.23392	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1006	0	0	0	0	0	0	0	0	5669	1507	0	0	0	1282	0	0	0	0	0	741	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17081	0	0	0	0	0	0	1001	0	0	0	42492	6416	1553	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.875	0.25
24	C19 H34 O5	343.2479	343.24826	0.030577825	343.24792	25024	23538	22652	21612	9101	37789	145997	8277	1336	7531	18005	2109	5637	66032	1470	9162	3654	3870	3493	4587	2723	1884	0	3169	0	12268	133842	82841	7041	7527	6688	12367	17824	5734	2556	7675	3810	3949	8020	7966	5104	17819	8641	0	0	19437	5945	0	36597	23893	21121	24708	2010	29340	1548	5802	17691	9155	2702	5860	9967	2760	27432	1436	67125	27518	21019	6111	2382	5298	3213	7511	2009	5240	4074	15180	0	974	2652	374313	0	29199	49060	49139	11128	50229	5769	14417	6784	6422	184464	421954	4157	43841	17234	3691	19479	23527	10386	7668	35716	5537	1987	7271	18393	2531	28986	0	4260	44803	Lipid	0.2631579	1.7894737	0.0
26	C19 H34 O5	343.2479	343.24823	-0.027729603	343.2479	22030	16731	24819	18005	6717	19283	76180	5870	2574	34305	184282	0	5132	41981	0	0	0	7215	5469	9294	8832	2122	0	0	0	0	57727	426694	7092	6620	6942	7533	16216	4209	31582	7516	5878	4681	3070	8152	2854	14163	6348	0	0	21272	13547	0	26119	23402	23328	18897	5383	11105	0	6744	11646	8717	9975	3106	8473	8497	21955	4341	42144	21687	10025	4286	0	2734	0	5135	3039	0	0	10435	0	0	2188	204802	2546	588290	20194	20232	10029	39677	5266	9816	5863	5013	143996	125617	8507	35706	13711	0	19127	27842	7994	8843	25199	4907	0	7409	353521	3894	21619	0	4188	42103	Lipid	0.2631579	1.7894737	0.0
22	C19 H34 O5	343.2479	343.24823	0.04758894	343.24792	10737	5869	4571	7439	0	5044	58923	0	0	0	0	0	0	47710	0	2003	0	0	1726	1782	0	0	0	0	0	6541	47432	16919	1405	1489	0	0	2397	0	0	1405	0	4079	1788	0	0	5992	0	0	0	4089	0	0	4141	6319	3998	3172	0	3692	0	0	4895	0	0	1092	2776	0	3649	0	27970	3369	16703	1868	0	0	0	1142	0	0	0	3358	0	0	0	159710	0	3865	32015	36949	4017	17701	0	2169	0	3548	175089	123514	0	10694	4403	0	5427	6335	2175	2564	15951	0	0	1584	0	0	11532	0	2709	4657	Lipid	0.2631579	1.7894737	0.0
28	C19 H34 O5	343.2479	343.2482	0.02527779	343.2479	1818	1247	1332	0	1474	1019	2132	2214	0	0	2269	0	1858	2304	0	2454	3514	0	1693	0	0	0	0	0	0	0	2564	7826	2449	0	1146	0	1337	1253	1213	0	0	1202	1354	0	0	2140	0	1182	3290	0	0	0	1178	0	1100	0	0	0	0	2177	0	1051	0	0	0	0	0	0	2028	1164	0	1161	0	905	0	1130	1045	2660	0	980	0	0	0	6558	1038	1659	1135	0	0	0	0	0	0	1314	72491	29066	1668	1277	0	1326	1128	2177	948	0	0	0	1735	2186	2803	1022	0	0	1506	0	Lipid	0.2631579	1.7894737	0.0
18	C19 H34 O5	343.2479	343.24786	-0.26273045	343.2478	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2951	0	0	0	0	0	0	0	0	0	0	0	28267	0	0	2173	1922	0	0	0	0	0	1680	5370	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2631579	1.7894737	0.0
24	C18 H34 O4 N2	343.25912	343.2593	0.1401549	343.2592	0	1427	2450	2174	0	0	0	2085	0	0	10990	2256	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1180	216479	0	0	0	7238	0	3360	0	2516	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1148	1236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8537	1894	1558	0	0	0	0	0	0	17876	0	0	58176	8263	1388	0	0	0	0	1712	2102	0	0	0	0	5253	0	0	1004	0	0	0	0	Lipid	0.22222222	1.8888888	0.11111111
24	C23 H34 O2	343.26315	343.26352	-0.02756224	343.26315	21473	22644	16945	22318	15257	9639	57987	14578	11654	5042	15617	12349	4734	20663	14582	27809	52370	7103	20905	8467	7458	5721	10042	9662	18832	21321	57385	19528	15740	24520	13273	22931	17990	13464	6144	25436	15914	17527	56226	7135	16807	12356	0	0	0	7033	11851	0	13646	15928	21022	19102	17893	0	15684	10918	15553	23681	10299	18855	18612	6861	12132	8154	24157	15209	32394	55259	13801	8888	25041	7795	11457	25171	31815	22831	0	9264	29886	21099	17930	15838	25763	19548	20948	24104	41426	13254	20792	65851	22966	22545	12809	10012	9218	0	16634	16592	14962	20025	26519	25977	12322	17849	10076	11822	21488	0	25697	4224	Lipid	0.08695652	1.4782609	0.0
22	C23 H34 O2	343.26315	343.2635	-0.009520662	343.26315	4212	5401	3475	2115	1603	0	12404	2420	1627	0	0	4029	0	0	2760	5491	22964	0	0	0	0	1494	3941	0	3912	2781	13816	0	3941	5727	2761	4606	3733	2009	0	7546	2967	4260	17059	0	0	2519	0	0	0	0	2400	0	2029	5612	3352	3230	3463	0	0	3084	2056	3530	0	1967	3435	0	1584	0	7863	2306	7433	21088	0	0	2617	0	1918	4981	14170	5217	0	1738	6039	2152	3989	0	6422	3352	4146	6914	13128	2560	3573	18209	0	0	2994	0	0	0	2991	1774	3242	5669	2545	5646	2324	0	1503	4334	2482	0	7304	0	Lipid	0.08695652	1.4782609	0.0
26	C23 H34 O2	343.26315	343.26355	-0.009286434	343.26315	35786	32043	34396	36983	28504	13091	96675	32123	29353	13422	37958	23588	16488	34790	32632	41721	70952	17838	40905	19202	18049	24081	19049	17707	48852	67828	98955	50767	43820	49819	25831	42869	33968	22448	20495	57375	28649	36439	63833	21784	34323	24659	0	0	0	16378	17560	0	41177	29528	32251	34458	35052	0	31582	31128	31949	39404	28869	27217	45422	18667	24037	19352	40947	29040	68318	79345	39050	28953	35303	12501	20939	48702	45237	42172	0	21407	46747	59074	23943	38013	51114	39172	46268	37394	100260	28611	34819	89365	47904	43369	29301	32781	30161	0	35862	33036	26325	52105	60010	59917	22012	43690	27496	25479	35572	0	57093	10712	Lipid	0.08695652	1.4782609	0.0
28	C23 H34 O2	343.26315	343.26355	-0.015730223	343.26315	13207	11612	11687	11519	11313	4836	33074	13618	13345	4075	15955	6815	8349	10360	12581	14007	18616	8213	15553	7540	6542	7926	9564	7830	24562	29129	23626	24404	17745	19983	11726	17273	15486	10562	8269	23178	10069	16526	18335	6851	9676	13508	1672	1187	0	5184	7504	1213	12336	13216	12155	8621	12594	0	14075	15096	12555	16452	13658	8115	13689	5349	4692	7621	13742	12643	26509	19692	20022	8506	9433	6334	9165	19268	11551	14124	0	8844	21853	24878	9955	15541	14608	12079	22842	13797	45966	7388	12429	22255	17610	17378	12332	17338	7481	1852	11179	11827	13652	22819	29746	20178	9297	15021	14944	12599	20305	0	20088	4637	Lipid	0.08695652	1.4782609	0.0
16	C22 H34 O1 N2	343.27438	343.27466	-0.3012071	343.2743	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4582	0	0	0	0	0	0	0	0	3217	0	0	0	1480	0	0	0	0	1996	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28786	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.045454547	1.5454545	0.09090909
26	C20 H38 O4	343.28427	343.28418	0.050512873	343.2843	0	0	0	0	0	0	34426	0	0	0	2179	0	0	12221	0	0	0	0	0	0	0	0	0	0	0	0	27697	9419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12638	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8933	0	0	2374	3312	0	0	0	0	0	0	10623	6324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	1.9	0.0
6	C19 H38 O3 N2	343.29553	343.29593	-0.013614183	343.2955	6757	6394	8099	7595	0	0	0	0	0	0	0	0	0	0	0	0	2495	0	0	0	0	0	0	0	1518	0	0	0	95428	639	185043	11910	174600	16774	0	6645	210151	444	3192	0	0	0	0	0	0	0	0	0	119434	0	6731	6386	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2127	0	0	0	0	2220	0	126730	21081	0	0	0	0	0	0	0	0	0	0	0	0	0	961	0	0	0	0	0	0	8172	5255	0	0	0	102328	0	0	0	0	0	0	3115	0	Lipid	0.15789473	2.0	0.10526316
14	C18 H38 O2 N4	343.30676	343.3071	-0.033336878	343.30673	0	3403	4591	3256	0	0	18116	3854	0	0	0	7943	0	0	7807	20140	15555	0	0	0	0	0	0	2894	3295	0	23865	0	4326	14436	4297	0	9286	5775	0	8372	13194	6475	15382	0	0	0	0	0	0	0	0	0	4577	4352	0	3991	0	0	0	0	0	4104	0	0	0	0	0	0	0	0	0	18875	0	0	0	2947	13588	17418	10790	12351	0	10069	0	0	1057	0	0	0	0	0	0	0	8425	0	0	0	0	0	0	0	3411	3118	0	0	0	14915	5667	0	0	12922	0	0	3568	0	Unclassified	0.11111111	2.1111112	0.22222222
22	C14 H10 O6 N1 S1 Na1	344.01993	344.0203	0.03934669	344.01993	3402	1831	2785	2359	23250	2806	1455	0	0	0	0	1841	3622	0	0	1350	6149	7925	11787	0	0	0	0	0	0	0	2313	0	1384	1336	1257	0	2851	2062	0	1777	3301	0	6880	0	0	8673	0	0	0	0	0	0	1686	1585	1719	2449	14761	0	0	0	3542	0	0	1420	0	0	1647	2729	3514	7324	6848	10309	0	0	0	1517	2634	0	0	2781	0	0	0	0	0	0	0	0	9534	1763	0	9943	5795	0	0	0	0	0	0	0	1978	1906	1081	7857	6898	3550	1107	0	0	0	6728	0	0	1480	Organosulfur	0.42857143	0.71428573	0.071428575
12	C17 H13 O7 N1	344.07648	344.077	0.1189531	344.0765	20171	17382	20015	20210	23797	12058	7016	5191	34882	56080	38068	7410	41885	10161	7490	8398	11820	29711	35014	32140	51929	65561	13777	10562	4112	25891	2625	25880	5622	5231	5101	3732	10644	3872	85574	1623	11398	10161	13626	37999	64842	12430	519	0	0	19197	36448	0	5326	3302	20624	21521	16973	0	35805	26277	13950	14943	9077	14973	0	29531	57936	32123	9676	39508	13360	14722	56727	40069	81150	4438	1754	2099	6409	2418	0	4612	23647	39039	12902	17840	7555	18347	27285	9894	23460	13311	15736	27702	11489	20028	26522	76859	77248	0	17621	19061	24956	31406	30435	11623	5007	7793	0	14955	18907	0	9572	47522	Phytochemical	0.4117647	0.7647059	0.05882353
24	C17 H13 O7 N1	344.07648	344.07684	0.067859575	344.0765	5951	3516	4248	3407	5895	1859	0	0	6851	18075	4069	2154	5314	3407	2059	2618	1986	6504	6031	3752	10613	23391	4675	2851	1676	0	0	2862	0	0	1206	0	2236	0	9408	0	2032	1053	2896	9958	23558	2487	0	0	0	4578	14781	0	1751	1511	6510	4710	4824	0	6268	3904	2874	2310	2205	4536	1899	11604	8553	4963	1176	5748	4693	1524	2221	3783	6460	2201	1935	0	0	0	0	1786	5286	24720	5498	8930	1583	3932	4235	3070	2876	2755	3648	4995	5364	5811	4172	34203	37733	0	4505	3667	4684	3982	4017	1575	1780	0	4710	3655	0	0	3205	11466	Phytochemical	0.4117647	0.7647059	0.05882353
28	C17 H13 O7 N1	344.07648	344.07687	0.08261752	344.0765	5958	5623	5954	4087	3111	3637	2628	0	4474	20414	7684	1608	4535	2341	2975	4614	3638	5806	6839	0	8757	17512	4457	6388	3306	0	2035	5297	0	0	2033	1950	3357	0	12077	0	3226	3396	4872	9307	18866	2926	0	0	0	3712	12366	0	1292	0	7214	7697	3114	0	5987	0	1931	2114	2986	4627	2597	7026	6083	5537	1902	3347	3358	4261	4314	4467	7757	1196	0	0	3300	1083	0	2093	5878	25269	5965	5655	3933	3397	3627	1795	5468	3405	3075	6370	4870	7836	5477	22765	30250	0	5817	5446	1885	3119	2628	4698	1413	3504	4571	5536	2392	0	3145	6077	Phytochemical	0.4117647	0.7647059	0.05882353
18	C17 H13 O7 N1	344.07648	344.07693	0.09466924	344.0765	25465	26238	26780	25171	25810	15234	7799	7957	19040	70987	49498	5841	38114	12672	4280	14641	16625	33380	30816	30116	49127	86006	12834	12914	8228	24144	10806	21579	6796	5277	5333	9549	14535	7040	77714	5242	18538	5831	18350	56515	99143	15881	1692	0	502	31213	53306	1110	10586	6029	26718	21111	16715	500	24236	22187	15747	22222	6658	20191	12791	44905	40889	23735	11254	35784	19236	19618	40131	37523	69652	5706	3215	3779	5231	4862	443	5295	21451	84759	15486	29234	10310	31510	29782	17845	24443	22635	22123	32598	22129	29164	20351	107878	122108	436	27414	26182	21234	36939	27037	13036	7004	12989	18061	12777	14848	441	14062	43289	Phytochemical	0.4117647	0.7647059	0.05882353
26	C17 H13 O7 N1	344.07648	344.07684	0.072578065	344.0765	3751	5847	4859	3508	3562	2954	0	0	4329	16452	5948	0	8076	0	0	0	0	8251	4768	0	9178	24293	0	0	0	0	0	3363	0	0	0	0	2006	0	12895	0	0	0	3194	9345	20648	0	0	0	0	0	13817	0	2082	0	6205	4782	2953	0	5384	0	0	0	2919	4233	0	7610	6724	6735	0	6825	0	4106	0	2202	7461	0	0	0	0	0	0	0	5361	24624	3453	4783	2251	3645	0	0	4709	4147	0	3341	4984	5756	4652	25340	34587	0	4184	6679	0	3215	0	0	0	0	0	1889	0	0	2940	10646	Phytochemical	0.4117647	0.7647059	0.05882353
22	C17 H13 O7 N1	344.07648	344.0769	0.04081585	344.07648	8176	8901	7877	7098	9623	5690	0	1970	8496	20725	13383	3050	10018	6645	2426	4010	3602	8687	8069	4821	16752	36823	5070	4679	2419	3910	3251	4694	2437	2111	3038	0	6896	1652	22906	0	4626	3069	5917	18946	38642	5536	0	0	646	12023	22656	0	2949	1893	9500	5387	7221	766	7108	6286	4038	2981	2588	5462	3765	12692	15782	12430	3294	11391	4994	3969	10074	4854	13600	1548	1176	1281	1278	1150	310	2202	11663	39635	6356	12946	4520	10811	12488	5593	7412	8242	5834	7520	12234	11387	10944	46902	51136	0	11525	6830	6665	13201	9644	4502	2869	6226	10195	5010	6014	0	4924	12637	Phytochemical	0.4117647	0.7647059	0.05882353
16	C17 H13 O7 N1	344.07648	344.07693	0.097725295	344.0765	31196	36966	29089	28598	33518	15995	8101	8906	34617	100218	59435	7906	43774	18432	11630	16035	12039	34064	40029	47330	71039	90155	15723	18739	15291	29546	10560	33688	4711	3394	6659	10221	18752	5748	112658	4572	22169	10750	16000	70114	93996	15898	1147	0	0	27399	59202	406	13168	4231	30085	33749	28537	453	34904	31838	15555	23464	9774	21511	21184	42742	54680	33290	13929	43915	23545	14560	54564	52296	97239	5814	4121	2597	8200	7975	414	7272	33776	92098	16226	28706	11522	37283	41974	15984	30860	21789	20470	40820	24480	35262	0	121144	125691	433	30076	26675	25040	40237	38693	16140	7335	15783	20772	12145	24333	330	15310	46469	Phytochemical	0.4117647	0.7647059	0.05882353
20	C17 H13 O7 N1	344.07648	344.0769	0.13266163	344.07654	13897	17841	14522	14922	21254	9816	6734	3397	15464	50673	28264	3045	18590	5016	4971	6148	8287	24189	16524	18827	35921	61775	6317	4310	5565	10333	4594	8984	3484	3318	2669	3799	7846	5927	56443	2749	7882	5295	6893	44876	65848	10560	1770	0	492	15300	44470	1142	4888	3352	13760	17628	15610	858	18688	13464	8757	6489	4660	11432	7602	25213	23539	19009	10296	18786	11231	9740	21763	16668	38662	2591	2395	0	4450	2877	612	4547	10740	62769	8646	20325	7718	26669	21692	12674	16236	13440	11799	19026	16100	21881	10945	84128	74420	643	16225	17207	12632	19601	13478	6426	3382	12045	15236	9841	10838	0	5998	27431	Phytochemical	0.4117647	0.7647059	0.05882353
10	C17 H13 O7 N1	344.07648	344.077	0.14167999	344.07654	14720	9878	11044	10542	16406	6544	2492	1619	23730	31883	23304	3274	29465	6150	3227	4836	4172	21545	21886	13165	31015	29518	7648	5133	3119	12417	3865	10186	1483	2153	3508	2909	7525	2201	41921	1428	8138	4331	4287	17032	34577	5739	0	0	0	7390	17723	0	4227	3051	10924	15880	9835	0	22952	18778	7722	9173	2203	6884	0	17019	29583	22441	8168	23450	6830	9732	30550	22522	41237	3231	2110	1696	2437	3227	0	2799	14488	20577	10252	10700	3285	6885	25204	9539	10526	10099	7177	18386	3922	10231	18849	34151	28812	0	8860	11532	13987	27480	20170	6819	3469	5255	0	8608	13701	0	3276	27769	Phytochemical	0.4117647	0.7647059	0.05882353
14	C17 H13 O7 N1	344.07648	344.077	0.1384982	344.07654	29791	30914	26419	26552	30217	18481	8962	10599	39548	80253	61697	9082	51874	15904	9770	15273	15704	43364	32155	40739	69695	97937	17990	14980	10963	41508	12489	31038	6727	4355	6278	0	22027	5839	116173	5414	19410	13910	14431	49386	74222	14592	0	0	0	23679	44738	0	5704	5001	30842	23636	26696	0	41278	30491	14158	15564	12220	16047	0	37503	63323	39770	15599	41835	20305	15116	64037	52656	83311	7846	5986	1584	7939	4107	0	6952	28950	88356	21275	24552	11362	30359	39667	17641	28639	18329	18384	36646	26873	34053	31898	109304	97320	0	30087	29504	23497	47696	39504	16441	10156	17060	20931	20051	23348	0	15342	58033	Phytochemical	0.4117647	0.7647059	0.05882353
14	C14 H17 O7 N1 S1	344.07986	344.08035	0.102745004	344.0799	16588	15970	12696	13507	11527	9566	4291	5725	12046	32124	21633	3181	27113	5637	6564	5602	6977	23854	15802	20212	24179	36652	4942	7059	9624	11028	4512	13930	4301	2892	2178	0	10708	4222	44806	5694	12416	6015	6829	40807	37116	7827	0	0	0	16408	14885	0	7162	2830	16165	16552	14776	0	15538	12468	6830	15247	15722	16692	0	35491	11968	11101	4352	15231	7935	6683	0	17944	18443	3706	3594	1189	4424	3520	0	4948	5147	19416	3181	8153	14442	24304	7823	4728	7802	7974	10381	8838	39570	63097	14121	28678	43998	0	15745	11868	7050	9341	8034	11229	3196	19047	0	12953	9239	0	7697	22146	Organosulfur	0.5	1.2142857	0.071428575
10	C14 H17 O7 N1 S1	344.07986	344.0804	0.1931064	344.07993	8290	9454	8954	11066	11277	6119	3340	3220	9237	19533	11576	3103	13285	2569	2862	5516	4822	12864	11485	12391	20355	25372	4377	4438	3332	4634	2804	10633	4151	1894	2543	2085	6800	2641	21299	2030	6556	2420	5909	21067	30407	4183	0	0	0	11253	18989	0	4114	3081	8277	7732	7278	0	13398	8694	3987	6011	11576	15150	0	17144	8504	7321	2623	8489	5314	5096	10175	9075	15639	2893	2991	2264	3198	1831	0	0	8344	8070	3663	7901	6777	12155	8470	3369	4829	6488	4809	9229	10206	24968	13927	21701	30523	0	7828	7687	4254	8512	9674	7198	2440	12563	0	5853	8500	0	2919	15265	Organosulfur	0.5	1.2142857	0.071428575
12	C14 H17 O7 N1 S1	344.07986	344.08035	0.10767934	344.0799	13476	16010	9724	17851	11066	8803	2622	2508	12149	37860	17110	3095	18307	5038	2933	5868	7634	17503	14888	30907	24849	47236	4511	7015	3790	11895	2715	11200	3720	3091	5775	4357	10037	3992	43697	1987	8972	3889	6834	42701	41474	5940	0	0	0	13997	12489	0	4737	2791	16340	13000	11272	0	9477	10633	4748	9631	12348	13196	0	36262	14341	8571	4419	13280	6739	8788	0	15033	17967	2545	2403	3684	3145	4091	0	2152	6132	27697	2347	15876	9814	18815	8631	4214	4869	6705	6543	7959	34340	53948	13395	35103	44108	0	13873	11308	7615	6536	7616	9327	3276	12823	0	8806	12699	0	4932	20886	Organosulfur	0.5	1.2142857	0.071428575
16	C14 H17 O7 N1 S1	344.07986	344.08032	0.09826668	344.0799	10016	7529	6969	8008	12657	8735	3034	3641	7229	12825	9074	2562	11469	3414	4857	5883	3605	12834	8234	6738	13535	20987	3173	8207	5915	4161	2769	10080	3174	3400	4853	2893	7338	2234	11948	4397	5503	4710	4704	24558	13654	3653	293	0	0	6891	6575	0	5670	1829	7486	7127	6874	0	7490	6806	4243	8079	10194	6825	0	19425	8046	6390	2644	10157	6458	2793	5774	9574	11371	2309	2481	1496	4291	1783	0	3050	3999	16049	1928	6820	6538	12375	7774	5227	6456	7551	6402	0	22708	35724	0	16479	23946	0	7212	11006	4001	5865	5116	7606	2260	8045	6428	0	5813	0	3704	10595	Organosulfur	0.5	1.2142857	0.071428575
14	C14 H17 O9 N1	344.0976	344.0981	0.108844794	344.09766	27466	32425	30485	36034	54212	43931	15701	21192	80217	13449	21214	30662	115753	25544	30862	23979	39366	106238	85558	27434	48758	28680	38116	24996	11908	5442	15403	0	18898	21606	18990	18866	42904	22524	24397	24848	33920	26958	32115	19564	44753	45212	3429	543	653	20716	38440	569	19028	20232	32529	24735	46042	518	115237	69067	31004	20607	28966	34361	23669	41968	88236	99313	29588	58902	39071	28245	36427	5349	23579	18437	16013	21152	28157	21363	337	32755	20738	21295	22971	14566	7238	5908	64444	33821	25211	40467	38048	23612	7917	19100	42072	27415	21561	673	31493	39849	40898	55626	58851	39379	25117	19285	18354	28307	50396	443	11022	101385	Phytochemical	0.64285713	1.2142857	0.071428575
12	C14 H17 O9 N1	344.0976	344.09814	0.11110909	344.09766	62975	52790	60757	63585	87245	62205	34568	52601	126029	46477	71177	52761	167939	36631	48814	47021	76857	152613	145198	66831	113561	79077	74463	47178	17971	5169	24725	18507	40260	39653	42254	38072	66338	34282	74791	36500	58985	46874	59863	49895	92604	79963	2432	364	473	39605	55152	595	45349	48326	65858	53596	80518	427	198484	114374	55059	40769	38452	66159	35785	76865	173554	162825	52335	114497	67641	58858	64881	20697	52250	37700	38060	35959	50283	28430	383	49574	44374	47076	35642	25930	15452	11955	111387	49133	41939	61214	68624	55254	17625	42815	85209	77073	42416	647	70347	71350	88656	84755	88344	74081	55836	36374	48586	67117	96167	451	21911	213726	Phytochemical	0.64285713	1.2142857	0.071428575
16	C14 H17 O9 N1	344.0976	344.09808	0.13305376	344.09766	13503	11182	12388	12544	19779	18463	8214	9366	30249	6878	7409	14370	45199	13226	12345	8371	17860	40654	36022	7982	14448	11415	15462	13670	2472	0	4636	2950	7406	10629	11140	6661	14475	10742	2977	9702	11361	12949	8507	8950	17709	16777	1089	594	857	8237	17102	1155	8417	11361	15253	10314	25044	365	38427	26230	13185	6628	10538	14294	10530	14414	36025	33402	12938	27618	19240	9924	15819	5057	9072	7352	11183	8489	11667	7160	809	10671	8774	5957	6335	6874	4785	1783	40381	16795	8816	25006	18391	0	3204	7827	0	12400	6487	0	12197	17401	24116	22372	24774	14298	12210	6930	13004	0	27270	883	2856	44214	Phytochemical	0.64285713	1.2142857	0.071428575
20	C18 H17 O6 N1	344.11285	344.11328	0.0933746	344.11288	45937	37478	34835	33234	29346	23652	11265	20625	31334	133541	83469	10048	34476	19085	13864	19437	15908	33680	36302	71036	98661	84520	12909	23679	15118	78964	11902	72955	11146	13496	12640	12525	24486	14322	100218	11095	33872	13886	17724	88948	115341	20322	1681	0	648	56372	73456	1041	20258	14242	43721	36779	28543	730	29122	25027	15354	24170	16058	20217	18756	59516	46108	28236	13726	40877	29200	21042	93746	121314	163866	13251	14997	7336	12003	13178	537	9383	22270	96596	17140	37141	17422	55523	31597	14578	31528	23701	28960	36266	44490	42058	36471	105756	109024	1214	45356	36352	24512	22643	30960	20957	10275	27690	39936	17986	21325	1002	16763	50050	Phytochemical	0.33333334	0.9444444	0.055555556
8	C18 H17 O6 N1	344.11285	344.11343	0.1439466	344.1129	43584	49304	35098	37349	31017	18857	10706	17873	39092	168032	87682	13082	58988	17205	13041	22891	19229	34819	46724	113578	159945	84138	17566	22289	11300	92411	11522	65768	16073	9225	12439	16996	21475	12459	209934	8964	25446	11687	18962	82438	113551	15630	574	0	0	53367	79434	0	18086	12659	40247	39654	21785	0	44439	28374	15869	20642	10996	24155	21070	54895	56305	38805	12328	37977	18020	19300	146434	146493	245776	13452	10655	8333	11562	11283	0	10249	27532	44210	16791	32966	15187	47895	31328	15464	23521	18801	19953	37520	23176	33688	32653	81750	118696	0	43987	33811	32942	39426	34844	18944	9767	19616	18889	18103	24754	0	13042	50829	Phytochemical	0.33333334	0.9444444	0.055555556
24	C18 H17 O6 N1	344.11285	344.11325	0.06936823	344.11288	5910	4606	4455	3144	2561	3489	0	1798	2807	22808	14096	2047	3396	3043	1908	2146	2713	3413	4296	8264	9513	15899	2719	2738	1703	9100	0	8626	1756	0	1141	3027	2769	1561	13145	1963	3807	1996	3551	11504	20942	2611	0	0	0	7424	12789	0	1955	3668	4715	3701	3027	0	0	2250	0	3941	2072	3534	3143	8699	8449	3944	0	5364	3205	3234	17060	13450	20366	1084	1676	0	2525	3178	0	2076	3475	17410	3388	9503	1654	7945	3280	3016	3117	3004	2095	5152	2399	7160	6009	20648	16828	0	5180	5143	2598	2307	0	2567	2042	3247	3808	2694	1519	0	4000	6392	Phytochemical	0.33333334	0.9444444	0.055555556
22	C18 H17 O6 N1	344.11285	344.11328	0.10401318	344.11288	18015	17576	10273	15271	11771	15560	3821	5698	8194	46002	35970	3266	8330	6271	5666	11291	6819	18381	15421	24265	37729	38065	8891	10099	7463	38818	4004	32298	5566	4289	6123	4651	12265	5608	46283	7159	6189	4780	11422	40487	53972	7136	0	0	0	24688	39917	0	7357	6659	14348	18327	11567	501	13922	6505	7221	6903	5463	7480	9430	29939	21071	13163	5160	14264	10090	7170	39118	38224	73795	6492	4623	4977	4911	3122	521	4917	12494	32784	11736	20255	6925	21566	15898	8198	12978	12317	7551	12466	12511	19353	11192	48228	51894	0	14359	16128	9718	9752	8498	11057	4894	11857	20515	13615	7597	0	10425	17590	Phytochemical	0.33333334	0.9444444	0.055555556
12	C18 H17 O6 N1	344.11285	344.1134	0.08831392	344.11288	71577	59204	68924	63464	53480	37523	23698	29538	52366	203706	142819	23479	60676	31808	26961	35341	34802	62378	81409	165751	222989	136621	36351	36012	26035	210483	19835	125270	29394	23218	23393	27199	46645	23495	265573	24902	33670	25704	40950	143290	187361	31878	1271	0	339	96511	111389	0	28723	33252	65251	59993	44385	247	66200	42802	27255	41831	26130	33650	31445	109041	69174	51702	20778	58674	37472	45569	234524	297343	406816	22899	21135	17795	22602	22086	0	22652	44114	90147	38283	61932	30943	90485	46876	27196	52589	33157	30507	85141	50479	64971	63566	140579	138409	0	71669	69211	46059	46728	46282	26481	25654	43120	43030	43366	40432	0	28293	80618	Phytochemical	0.33333334	0.9444444	0.055555556
14	C18 H17 O6 N1	344.11285	344.11337	0.09951693	344.11288	93627	91987	85859	85410	72596	46576	36630	42136	68361	268628	184506	30479	81834	45053	33282	46486	45193	83988	87450	203612	266744	168180	41139	53864	41596	276448	32551	151518	29350	32990	27976	34043	63662	36875	342108	28532	45681	25772	54902	200157	233301	43699	0	371	402	95801	143264	0	37807	27736	79753	76718	49987	373	75891	55242	33221	56682	39128	60160	58849	133092	102053	68617	27424	73081	48715	45036	316818	390450	450572	36670	21058	19907	33818	32241	291	26048	59599	127384	47425	82426	44522	121589	65364	37862	74077	48434	49333	107272	88870	82823	93869	179930	210878	823	77639	78241	47448	57518	53268	49397	26057	55049	57481	47584	43119	371	46111	90694	Phytochemical	0.33333334	0.9444444	0.055555556
4	C18 H17 O6 N1	344.11285	344.11353	0.10691415	344.1129	5559	4925	5211	5090	5880	2797	1721	2940	6893	10655	7924	2022	10631	3562	2054	2235	2943	3957	7685	8264	13748	8527	3195	2997	1320	14922	1136	4828	1445	1572	1911	1830	1938	863	15043	1714	2385	2211	3745	6164	13170	2770	0	0	0	6796	13789	0	1864	1521	3416	3125	3495	0	7889	6240	2617	2184	1817	3218	3081	5422	6922	5096	1942	5615	2653	2386	22276	14990	24717	0	893	632	1294	2143	0	1380	5485	5430	3913	6071	1657	4328	8964	3475	4019	2363	2633	3561	1974	1830	5450	8776	10470	0	4677	4323	5507	8870	7713	2745	1834	3107	5979	2381	5610	0	2175	8898	Phytochemical	0.33333334	0.9444444	0.055555556
6	C18 H17 O6 N1	344.11285	344.11346	0.08159916	344.11288	22127	22459	16636	23870	18259	10553	5839	8599	25335	73419	48540	6574	36091	7734	7134	11380	7136	19562	25758	51261	84771	45165	10889	14131	5123	42834	5893	26824	6680	5791	8523	6773	11621	7497	92970	6760	11438	7192	11053	29969	56195	7502	0	0	0	24365	44073	0	10581	8728	21319	21237	12259	0	25038	19606	9024	14416	5096	12780	12814	27408	33366	17887	5933	24017	12687	11437	72013	77822	127168	7253	6261	4290	4649	6447	0	4757	13145	26087	10166	19064	6222	16855	21647	8500	11921	9736	10412	17102	8785	14666	17553	47814	63600	0	20042	18540	14949	21237	21100	9175	6963	13552	11968	8944	15439	0	6693	30472	Phytochemical	0.33333334	0.9444444	0.055555556
18	C18 H17 O6 N1	344.11285	344.1133	0.0854923	344.11288	71213	68503	63669	60346	52903	41438	20965	31502	43665	224041	156395	19290	59537	38047	24724	45031	29980	70680	74993	132922	175450	140976	32400	49608	26889	184471	17667	130333	30768	22162	26670	25889	45639	25980	211193	24644	48352	17189	31953	160790	189590	38387	3411	397	729	98841	103983	1093	32492	20797	64436	67620	39788	647	49686	39540	27600	44690	30096	39813	39780	102251	75706	48047	22262	59582	50107	30354	188481	239736	347226	29880	16968	12682	20068	25837	562	19449	44724	136900	33005	64114	34190	99064	49079	29148	48064	33176	34144	52990	73368	87719	67867	156728	188729	902	71869	60041	36832	42261	43816	36955	16906	45018	53895	44097	37527	630	32559	71349	Phytochemical	0.33333334	0.9444444	0.055555556
10	C18 H17 O6 N1	344.11285	344.1134	0.120362766	344.1129	64567	56449	58115	55462	43092	26603	18860	23120	52112	187489	114908	20305	68397	27902	21278	34899	31003	57266	62217	159615	198529	107949	30379	37689	19574	148663	19212	83160	22333	17239	20599	24918	38438	18903	232219	18759	37164	22600	31873	117906	155795	23471	1209	0	0	64655	97050	0	29922	17518	64117	59633	36178	355	57748	38477	23286	36177	18589	34348	30985	81220	58314	47600	18956	50149	26676	29906	215501	237338	309248	22838	15741	13554	19137	22340	0	17050	41283	79588	29555	45651	22937	57424	43588	25045	37420	29220	28118	50902	50901	53433	60286	99641	143314	0	62094	56272	37328	49020	43304	28303	18371	37799	43468	32770	31993	0	24879	61487	Phytochemical	0.33333334	0.9444444	0.055555556
16	C18 H17 O6 N1	344.11285	344.11334	0.10886178	344.1129	95362	91438	84498	94417	71115	51102	34328	38274	63651	296292	192237	28714	80182	41753	33254	58730	44829	98541	109588	217230	253868	182262	45266	63916	43241	269153	31208	157129	37261	38267	35203	36592	57196	33145	322511	34662	68203	34745	49603	211787	263426	38964	2771	548	429	112943	138908	789	44384	37200	95168	92618	60559	888	72460	57703	34506	57720	45969	52461	54910	135566	102154	64666	33185	90361	56330	48860	290640	381704	428978	35898	29127	21213	35061	29662	0	31639	64685	156816	39499	82188	48180	135620	73744	41563	68089	50279	49340	91231	100960	114475	102895	181830	265622	912	89440	80935	49864	54723	58598	53060	31367	62301	67643	49124	46996	553	44930	107199	Phytochemical	0.33333334	0.9444444	0.055555556
20	C15 H21 O6 N1 S1	344.11624	344.1167	0.122738816	344.11627	4381	5711	3873	5797	5452	7028	3832	0	3078	7685	3959	2613	6195	1961	2633	1759	2732	7780	6148	7494	7982	6857	2080	2564	2305	5282	2475	6286	1446	4698	2077	1411	2444	1996	7185	3454	4009	2371	4350	8534	4898	4286	0	0	0	4922	4925	0	1777	1408	2783	4386	3791	0	3580	2988	2652	2344	4056	4029	2669	8886	9356	4035	2857	3953	4931	3664	3403	2568	3775	1237	2321	3585	3909	1400	0	2344	3766	8772	2152	4812	4931	0	22217	5037	1982	2922	3861	3835	8977	9889	2414	10753	17011	0	3838	5449	4828	0	2664	3976	2873	7359	2910	3039	3124	0	2375	9316	Organosulfur	0.4	1.4	0.06666667
18	C15 H21 O6 N1 S1	344.11624	344.1167	0.073750794	344.11627	10242	7112	9314	10711	4983	6465	5360	7245	4320	8627	7184	3495	8578	3567	4295	5856	3232	6270	10389	15520	13118	15371	3749	4319	5800	9449	3018	8204	3654	4425	4776	4841	7883	8960	7038	6497	10309	4519	5883	14767	12332	6296	0	0	0	9916	6742	0	5112	2299	5094	8989	4711	0	3425	4937	3702	8436	9168	8581	5730	12552	4556	2258	4015	7297	8839	6448	15059	11716	11146	3319	5898	2070	6236	0	0	2478	6918	16270	3177	7238	5859	12599	1931	5746	8901	3514	6563	6536	27550	31021	7040	20633	24039	0	7099	6789	4466	4057	2312	5197	3870	13804	11053	8265	6233	0	6813	9268	Organosulfur	0.4	1.4	0.06666667
10	C17 H17 O5 N3	344.12408	344.12463	0.19727267	344.12418	43748	41186	53870	46412	26466	19746	31300	40900	17108	64282	44378	26718	24674	13654	27208	52096	43278	30034	39956	53586	60142	76356	40974	54546	35096	46588	0	29692	39860	31760	27292	32860	46740	29846	61366	27588	58220	27446	48180	61754	95564	26200	1300	0	0	56006	63958	0	42600	28528	45318	45994	25456	0	23578	13948	13584	54792	25716	50840	50842	35866	23084	24828	16228	29442	23334	70584	48890	67624	83078	36064	28650	20224	34224	24890	0	21006	57954	47504	38736	40640	30902	45118	19868	17226	57242	30546	23948	111212	50478	61938	109408	58070	74466	0	47942	40638	16408	19696	19686	44328	27860	45636	0	43526	18110	0	43396	29972	Peptide	0.29411766	1.0	0.1764706
18	C15 H21 O8 N1	344.134	344.13443	0.082550175	344.13403	80749	73409	86984	70743	84309	59591	45185	83568	74855	63135	53723	65327	147905	43285	75997	89849	78380	144130	128347	89130	83431	64610	92747	88290	46873	93770	43737	29923	77392	76956	62467	55693	82302	63058	46714	75743	78136	51943	66276	86696	97892	71000	6995	2219	2483	66313	75224	2293	60728	80076	75866	77216	74786	2166	153353	103842	57449	66349	51697	69613	87870	74058	102175	108563	50705	88482	70987	61865	130892	81336	119805	67360	59053	78556	84166	62500	1657	53950	83796	50957	59710	44568	42572	51530	137508	68842	67141	64118	61401	58077	42648	53257	89313	42413	66646	2368	75482	77460	67118	82765	106218	88946	52162	82086	105472	70301	93191	2355	42629	101415	Lipid	0.53333336	1.4	0.06666667
4	C15 H21 O8 N1	344.134	344.1346	0.07178909	344.134	53636	61100	53928	53358	44974	38102	23064	58936	55680	63842	47052	36830	194984	25340	38004	54156	57254	84814	149416	77534	77604	77202	45634	60324	17590	19300	26382	14346	46660	44814	46384	45828	58742	47686	84300	54614	62146	31148	72554	54958	56930	48198	2826	1334	1914	51110	63708	888	47392	52030	55374	49520	40078	1414	174172	64662	27724	46676	56066	55638	60766	35974	189536	73996	35112	60568	43758	60220	37810	24276	33854	48054	45310	54190	20756	39716	900	37022	31698	18246	27758	28520	28884	13932	70808	39128	31674	47230	45856	99428	46124	54627	146584	38912	52444	2122	49000	67372	41912	60310	67912	63524	33508	75536	39088	47848	55480	572	19046	220756	Lipid	0.53333336	1.4	0.06666667
8	C15 H21 O8 N1	344.134	344.13455	0.064788446	344.134	243283	252821	189308	236532	203535	150769	127788	253463	291477	286307	188098	178190	400576	83927	194222	288331	261631	369936	412703	351565	402434	290542	247918	280892	103228	148114	124893	106970	236095	224802	195200	221294	240110	203568	384296	231490	264441	156973	241478	265746	298230	224213	5545	815	917	233205	273596	550	232410	223404	232037	235722	196042	1690	527888	299327	150497	202728	239104	221522	266298	202840	344597	361410	122183	246232	179455	233580	231791	195452	242680	204281	197191	218385	171289	198860	526	165288	195617	116289	163161	142542	145089	116491	298619	163108	171322	182941	210080	214918	126236	229777	295341	178533	236776	2299	245500	277666	193956	248621	289273	287761	153505	335648	122176	210278	263076	877	120709	401035	Lipid	0.53333336	1.4	0.06666667
12	C15 H21 O8 N1	344.134	344.1345	0.027727123	344.134	385243	386321	425473	408106	512994	417162	298826	512687	693185	633619	379695	274384	814492	220434	391705	354647	420452	1097826	1043103	876000	1064542	576422	502774	384437	256260	601210	182440	314665	508288	356872	382582	369072	584137	377086	976982	428174	515295	328258	351865	693279	546301	477989	15692	2254	2463	461327	431694	1584	381903	374448	395401	384970	530865	3322	1424729	618473	307025	388207	476187	420992	409121	575577	785466	802444	225717	614242	421166	335126	953288	730883	811577	362360	373262	417363	281985	327314	1058	344071	351982	328596	326020	310318	296533	291590	605513	373823	348805	310132	404136	325478	301915	556994	488310	368848	398315	4457	412939	590743	467424	411150	514253	498652	299755	454489	303736	363438	601132	2177	228172	924856	Lipid	0.53333336	1.4	0.06666667
14	C15 H21 O8 N1	344.134	344.13446	0.051906455	344.134	321471	327177	301668	342482	399550	353626	201573	371747	556219	406051	259091	213430	811056	204680	324432	349352	357273	844862	717308	619069	780501	376630	373513	355918	220388	562095	165531	234682	407590	337910	246505	293833	435596	281797	606508	367954	368918	228542	304022	516116	424482	393754	16832	2376	2498	372293	415741	2578	274436	319818	306234	294300	369341	3142	1107285	530440	229813	307242	400764	255689	365085	466701	595975	660438	214429	431777	326791	238322	769162	664874	625824	263423	283644	336592	313977	261786	1582	237520	286981	293280	242723	260898	195220	228444	589813	305841	273038	264832	287939	251724	260474	354758	391449	273300	388119	4423	336990	478214	365843	376352	469155	442895	211977	441719	274629	244416	468854	2520	159959	638806	Lipid	0.53333336	1.4	0.06666667
2	C15 H21 O8 N1	344.134	344.13467	0.07856914	344.13403	32738	27084	31278	28134	35018	49448	9630	36690	80880	35194	24864	22854	77472	22740	20714	4960	24468	116664	105724	29876	56192	104720	20326	24012	7194	3084	0	9418	42632	22720	39712	34108	61964	39630	52144	33020	48908	14670	28520	35554	25708	32444	884	0	972	18432	27036	0	35542	19572	27364	31530	40474	1420	95860	26604	14454	34890	20758	17592	12426	11310	161744	100720	15780	134536	42540	71340	9356	15098	13760	38360	37238	28968	1306	34106	936	18454	14588	7140	12794	9914	9876	5882	47120	16486	12446	71628	41460	22870	28947	38314	41746	17722	7852	0	35876	29176	17308	31328	29496	26322	18206	27086	11402	43418	19754	0	11664	194684	Lipid	0.53333336	1.4	0.06666667
8	C14 H21 O7 N3	344.14523	344.14578	0.056219958	344.14523	18688	15931	14142	19266	8352	8966	10466	21517	14102	7881	7229	14061	14841	2904	16885	26852	21974	16340	20314	6806	8241	23815	21459	23814	14893	1283	13678	8537	17900	15893	16347	20143	24364	17277	12765	17003	23996	19477	27205	6962	7089	11602	0	0	0	9798	10294	0	18749	18155	18984	18720	11596	0	16132	6078	9425	19946	15537	9606	25817	5661	15922	13805	10296	17718	12795	33119	3620	2623	2303	18308	16214	16700	13483	17451	0	12528	18503	14259	13426	6618	9554	1707	10423	9348	15907	14122	14907	39780	23359	18726	45029	8746	4375	0	18855	16954	7373	7280	11095	21108	14990	12048	0	25806	8279	0	12620	24414	Peptide	0.5	1.5	0.21428572
0	C14 H21 O7 N3	344.14523	344.14587	-0.09845668	344.1452	10026	8754	9011	8724	10503	0	3126	11971	8444	2703	1600	4525	11695	0	3639	0	7152	11821	11258	3613	6154	10009	6863	8250	4048	0	0	1533	17245	5570	10858	11118	18831	10295	4261	8301	17881	3373	9084	2671	2143	11498	0	0	0	3261	0	0	16318	9448	7192	7562	10943	0	7766	4525	2191	14948	3283	2701	3681	738	15625	9005	4725	14435	18506	10944	266	0	0	8409	16360	6151	0	11873	0	4386	4038	918	2645	947	1692	0	5133	3960	4653	9632	12090	5972	10678	9252	19063	1299	0	0	9080	8655	3093	3900	4440	12106	3199	6695	882	15291	5649	0	3744	25782	Peptide	0.5	1.5	0.21428572
4	C14 H21 O7 N3	344.14523	344.14587	0.09543617	344.14526	15599	15755	15296	14061	13072	7986	6929	16098	23529	8725	6855	9698	27484	4396	14802	18650	21752	23072	27821	9498	10491	24179	16714	19951	7488	891	5713	4237	12042	10681	12578	10955	18139	10525	13552	13170	16307	13694	28263	8826	8471	14259	0	0	0	7598	10819	0	13369	13767	14128	12337	14674	0	30663	14639	11040	15582	13780	11393	18219	7662	29121	22119	12916	19986	11985	26238	2098	3279	1961	10253	10952	12205	5730	8721	0	10556	12991	10516	8848	6226	7585	1879	19873	12987	13201	14254	14665	27161	22195	25949	35922	9850	7880	0	15873	14771	13041	17689	15582	18781	11854	15566	6647	16741	15884	0	7618	32300	Peptide	0.5	1.5	0.21428572
2	C14 H21 O7 N3	344.14523	344.1459	0.060255032	344.14523	23580	25771	20428	22516	24688	24590	10541	24187	31221	9220	11586	18901	50040	11086	15167	6239	25087	33079	36977	11605	15917	30469	20653	25384	7025	684	1981	11176	23858	13212	22245	19648	47021	20552	16472	20780	34814	13905	29200	9315	11323	22396	0	0	0	8686	8547	0	28806	14810	23962	23989	24169	0	34373	15877	13373	31583	10544	11653	10242	5677	49012	33684	13981	38481	27758	34390	1743	2999	3126	21396	21363	15152	2709	17394	0	14213	17461	10491	12947	6058	5683	2997	23559	14058	19019	27829	28742	48459	28502	31575	54138	11408	2941	0	24782	20594	16883	24602	21398	25796	16053	11421	6221	33370	17393	0	10729	59231	Peptide	0.5	1.5	0.21428572
6	C14 H21 O7 N3	344.14523	344.1458	0.09051746	344.14526	20858	26025	24459	23491	17611	13973	13453	23611	26961	13503	11080	18276	26986	7471	25413	32319	28636	32113	35574	14744	14784	31373	23785	33085	13755	791	13419	13614	20717	20238	23525	23222	30897	20283	21604	18341	30122	20560	36901	8726	13208	16906	0	0	0	18277	14993	0	29968	19741	24490	22074	16294	0	33189	12799	14250	28777	22989	15613	34208	10769	27914	24670	12596	25037	23601	35999	2381	3850	3056	20467	18188	19006	9990	14789	0	15882	19288	12157	15847	9250	11118	3978	17182	16663	22385	22388	20488	51708	30108	35967	63862	12146	9740	0	23428	23336	10938	11875	12521	31251	19013	19700	0	31555	16432	0	16390	38948	Peptide	0.5	1.5	0.21428572
4	C19 H21 O5 N1	344.14926	344.14987	0.009516698	344.14926	15555	18867	15801	14731	10665	11078	6434	14952	10734	39037	22206	8377	10632	9350	9733	15075	13391	13201	15978	41624	53216	25737	12373	17112	10465	74897	9472	14716	12947	10290	9561	10732	14377	10048	45998	10671	13478	8364	15888	27902	34937	7960	0	0	314	21051	33420	0	12770	14666	14678	14069	9564	201	16853	7665	5973	12617	3492	9048	12254	21125	10687	11790	5297	11324	6465	14156	61805	77922	96587	11669	12474	11331	10501	10840	264	8863	15046	16704	11418	10230	6701	20015	10226	6561	13721	6970	8151	15981	13670	13272	19684	22885	35867	896	14502	16288	10612	9281	8090	13569	7258	16169	14855	10354	6877	388	10362	11828	Phytochemical	0.2631579	1.1052631	0.05263158
18	C19 H21 O5 N1	344.14926	344.1497	0.070099264	344.14926	91970	88539	88269	80190	62802	40614	40716	57171	42901	209680	155486	38052	56957	39111	45119	87015	57385	61061	77776	208806	222843	128864	49368	76860	43687	292646	38118	162297	49169	48475	44527	64516	69140	47455	186584	49979	71410	35628	72335	173115	215886	47066	2197	416	756	101489	100138	843	71425	51011	89287	86689	45226	680	47509	37693	31425	74716	38952	67923	70495	118180	67483	38827	26807	59600	62856	74996	266159	330377	440903	57037	32695	40769	54245	51005	511	33379	57437	126679	41307	70690	55833	127176	48005	36994	64124	54566	49673	101374	110304	94346	102607	111285	173799	758	91677	86110	38848	45449	42625	73887	31153	72403	50785	64323	37744	578	48366	65888	Phytochemical	0.2631579	1.1052631	0.05263158
20	C19 H21 O5 N1	344.14926	344.14966	0.079281434	344.14926	66838	63008	66760	62296	49377	36048	21693	41959	32969	161435	127882	25392	36949	34096	32196	55806	37858	53295	59228	161658	173938	102525	35650	57766	35671	216621	25052	135226	45149	30928	32998	36290	53390	47267	154555	31209	49726	25256	39027	131202	184280	36560	3216	0	744	79230	86707	1085	45778	31977	66727	73130	40747	757	31868	30126	27339	56750	38306	43387	51704	103300	48982	37579	21244	45898	45023	49798	185998	248136	300666	38649	26603	28740	35002	34795	403	27029	31386	100825	26104	44718	39720	107155	34990	27476	43680	40728	34897	67794	80483	74374	71908	111867	118728	1574	57047	64764	29074	35715	37989	49740	24591	55899	53602	56716	23640	729	35498	48007	Phytochemical	0.2631579	1.1052631	0.05263158
16	C19 H21 O5 N1	344.14926	344.1497	0.022440441	344.14926	78332	89275	89150	81662	60545	40344	41692	56958	38231	190045	131920	39084	46725	31492	42130	76027	64427	71142	77149	198134	246349	126671	52658	85505	41622	302259	35603	133511	38907	48658	48526	55378	74421	42126	187505	50502	86316	29438	65392	175897	207678	37562	2003	446	481	86055	123700	678	63187	49723	99442	86484	48280	611	40994	32776	33537	70620	44738	68593	68878	98221	62288	43893	24440	66594	54736	60527	265030	358558	428085	57916	50235	48316	53020	52416	0	36031	58189	111568	35573	69933	50692	129891	48775	30707	67124	47710	45942	109179	82893	92007	100956	106573	167649	880	81154	85471	33366	40759	45826	63370	29758	62463	38359	70094	41677	428	55298	58510	Phytochemical	0.2631579	1.1052631	0.05263158
2	C19 H21 O5 N1	344.14926	344.14987	-0.017772626	344.14923	8891	7028	6384	5074	3236	0	5281	9549	3745	12774	8143	5543	4150	4026	5573	4542	6667	4871	6561	12859	19984	8989	7081	7209	3951	24439	2820	8364	8010	6289	5946	6900	9608	7538	15320	8196	6459	5667	8418	11413	12400	4582	0	0	0	6878	12031	0	8994	6746	6224	5761	3399	0	4972	2148	2577	6706	1648	3697	5567	5394	3815	4812	0	4024	4028	9296	20456	25993	32841	6579	5813	6769	5941	8720	0	5080	7160	6649	6049	3913	3329	7293	2915	2857	6617	3770	3943	11221	6114	5244	9711	7995	7199	485	7667	9731	4132	2438	2418	6284	4707	7120	6612	5615	2961	0	5007	4146	Phytochemical	0.2631579	1.1052631	0.05263158
10	C19 H21 O5 N1	344.14926	344.14975	-0.035939295	344.14923	61664	44186	47274	44477	25701	24706	22180	35536	28347	150831	82241	19184	28964	26743	17350	36836	31270	34620	34931	158865	172175	68821	26701	42574	21078	203336	21103	78262	27194	27423	24217	36128	41873	26097	154525	29845	47052	20115	42146	109172	115271	19578	1047	0	294	62688	65025	0	39203	26655	54313	55924	23207	355	30100	18331	14447	38506	12046	31382	36143	53342	29760	25596	13122	34896	22273	47859	181304	258423	299595	27977	27164	22526	25876	30898	0	18897	31125	50503	24509	27840	17861	67709	23202	14212	34725	23414	20755	54701	46940	38249	60944	63230	92339	797	50712	52155	21655	19569	18785	36263	17398	41850	27963	33155	20050	0	25970	36065	Phytochemical	0.2631579	1.1052631	0.05263158
14	C19 H21 O5 N1	344.14926	344.14972	0.008560417	344.14926	87163	77666	73221	67629	44511	37885	37968	49608	39363	162917	113687	37905	46125	29781	29989	59172	58997	44827	61325	190005	212977	116275	38482	66934	46473	290173	37164	119063	38187	34339	42250	53296	59221	42496	172483	45910	54799	33016	70393	146566	187247	33159	0	0	326	79344	94323	636	48169	42102	76406	88513	41713	525	42870	49574	27895	61065	34470	68345	37273	94041	60925	40886	24980	42665	37234	63492	235856	341431	402129	43251	36812	40452	50287	44265	251	28873	48190	75182	39428	48238	43053	103476	45819	26556	52522	42384	40872	114041	77919	63052	92353	93536	122895	576	74896	69263	28020	45057	37618	53490	30657	72174	42353	52189	33759	423	46672	49944	Phytochemical	0.2631579	1.1052631	0.05263158
6	C19 H21 O5 N1	344.14926	344.1498	-0.003672919	344.14926	34922	37148	32438	35696	21357	17514	21150	31270	20622	109695	52597	17787	24912	16866	18757	37740	21705	22362	36577	105936	137097	45076	25624	33239	17374	151664	16700	47294	26227	17809	22821	27948	28320	23293	107264	24212	25522	18885	27118	55702	79511	17432	0	0	310	44896	59245	282	29280	25340	34703	36887	17305	0	25166	14842	12143	30979	3752	20693	29363	37149	22048	21442	9984	21170	20172	30524	118439	193615	223227	23414	21753	18004	20023	20027	0	14822	22280	32826	23207	16613	12381	43867	18411	11551	30094	16117	17558	38432	29125	26046	36741	44780	66831	477	37976	35885	16331	13366	14700	33440	16885	33182	19535	26613	14451	0	15543	26067	Phytochemical	0.2631579	1.1052631	0.05263158
22	C19 H21 O5 N1	344.14926	344.1497	0.098382115	344.1493	32543	27470	34855	30214	34540	24027	14238	14435	22728	63951	66187	10990	25143	18010	18921	25772	14531	35212	36922	62138	72233	47222	17634	31902	20030	85755	11825	67011	17997	11861	16324	17153	19951	16370	58116	16472	23927	12099	18765	60443	83139	22290	0	0	935	37120	43947	0	16315	16918	27322	32919	26176	793	20618	33413	14988	23178	16655	20425	26886	50276	21332	20949	16582	35311	24863	21207	87473	79663	130316	18069	15039	11673	7895	13227	447	11857	29630	44471	21123	24560	18140	45272	39899	24470	27492	30852	28758	38483	32021	38238	45476	48287	59538	0	24625	32542	25650	30285	32192	26258	11866	23760	22172	24810	22489	0	23737	26557	Phytochemical	0.2631579	1.1052631	0.05263158
12	C19 H21 O5 N1	344.14926	344.14975	-0.003289288	344.14926	60295	57319	57994	58906	31706	23290	33935	42171	32848	136595	94282	26222	30783	22970	24796	47173	42761	39624	50883	174789	193502	82575	32439	52108	30714	208310	29479	82022	27171	26937	31813	42840	47227	30350	166799	33761	46777	30599	43585	119236	160518	22799	944	412	0	69953	78987	0	40391	34508	61934	54742	30171	340	38934	21717	19973	40147	18875	56456	39198	73882	40639	29000	13806	42500	30792	53026	186297	280492	328602	32707	34170	27016	33570	32716	199	27033	33999	58339	29221	36780	28000	85254	26825	17759	38170	25508	28163	90929	48229	43548	72222	67255	97101	394	68548	64082	25784	20458	23048	37756	21223	43622	28465	38671	23344	0	32133	39746	Phytochemical	0.2631579	1.1052631	0.05263158
8	C19 H21 O5 N1	344.14926	344.1498	0.012414689	344.14926	52913	44258	41897	49815	26215	22119	16919	28119	23286	137962	79383	17522	32061	20908	20587	35790	26605	27239	45512	162727	166771	58034	21774	38273	21122	187364	20217	66217	26066	24200	22732	28954	33158	28314	150940	27225	32081	16872	30735	98740	106283	18395	823	0	255	55106	59460	0	35544	29028	43262	49140	24062	262	28182	17557	15086	27479	5760	25178	31005	52723	25591	27965	13029	29694	24060	34853	158392	243455	281381	26178	20247	18162	30382	25418	289	18010	29925	47043	19568	21836	14448	70674	22215	12773	27509	23479	17875	49048	37992	28244	45336	58263	89926	502	53719	42890	25216	20670	17950	35391	17125	37054	19077	29056	24728	0	23591	29789	Phytochemical	0.2631579	1.1052631	0.05263158
24	C19 H21 O5 N1	344.14926	344.14966	0.09467915	344.1493	9861	8394	9275	8927	10625	4061	1873	3966	7174	15524	18287	4751	7824	4696	2508	7218	3751	8079	7593	11468	18390	11255	4238	7402	2433	20597	0	16966	3288	5900	3095	3550	5360	3773	16743	4818	7281	3347	5194	16131	21013	3703	0	0	0	10251	8280	0	4925	3976	7757	6900	6151	0	4440	5055	2630	6798	4060	5594	6522	15946	9641	5566	2873	8687	5864	4502	22823	21040	29977	2820	5843	2123	3610	3174	0	2631	6329	12403	4140	8111	2868	11545	13613	3678	8031	6925	5170	12142	7831	5588	10050	12449	17939	0	6307	7185	5010	14121	19710	9863	3157	7323	8047	5734	6569	0	4363	6093	Phytochemical	0.2631579	1.1052631	0.05263158
18	C16 H25 O5 N1 S1	344.15262	344.15308	0.15850054	344.15268	0	4813	4337	2595	10897	5081	2829	2686	1966	3865	1441	2670	2970	2396	1839	6673	5886	0	2272	5103	5047	7729	4609	4195	2512	4415	2390	3768	4799	3355	2108	2515	5034	0	0	2660	2880	0	3534	4945	5669	3193	0	0	0	5994	6435	0	3384	2646	4085	3468	5519	0	0	1379	1234	4081	0	3404	5005	3660	2842	0	1273	2091	3818	5175	4257	3271	0	2782	1682	1428	2274	0	0	0	2654	4811	1254	3929	3764	2251	1807	1783	3985	4253	4750	7133	20256	17229	9798	5011	14918	0	2779	4444	2599	0	2928	5260	2597	10293	4545	5859	7668	0	3566	3052	Organosulfur	0.3125	1.5625	0.0625
20	C16 H25 O5 N1 S1	344.15262	344.15305	0.064038076	344.15265	2653	2790	4382	3731	2987	6181	2471	1746	1227	7795	4107	3202	3383	2867	2290	3941	3024	3365	3193	13262	14143	9565	2157	5457	2719	2000	1132	4850	2150	2533	1673	3426	4945	2864	7388	2614	3912	1409	2771	7871	8392	3984	0	0	0	4186	8128	0	2676	1263	2746	3245	2941	0	2783	1873	1368	5631	6186	6147	4959	4363	2555	0	1340	2499	4500	3230	2801	0	2235	2677	0	0	3725	1467	0	1228	0	9429	1708	5031	0	0	1442	2175	3121	4514	2169	3865	23125	27434	5765	8765	14280	0	4251	3704	3471	1932	2824	2595	1443	7661	3513	3442	2724	0	2733	0	Organosulfur	0.3125	1.5625	0.0625
26	C16 H25 O5 N1 S1	344.15262	344.15295	0.012220508	344.15262	8939	10216	11755	12327	39599	36049	13237	6304	20349	1466	0	9508	13755	163616	46179	6359	31337	26759	32389	0	0	0	0	0	27771	0	14397	0	5480	11132	2550	6958	0	2370	0	10605	3109	29125	19148	6157	0	45201	0	0	0	0	0	0	4872	10690	7971	9646	38553	0	11402	10332	31213	0	4212	0	0	0	0	8186	47052	11616	54790	28611	0	0	0	0	0	11443	45616	4963	0	4725	13456	0	11411	2680	4895	2470	5916	35785	24973	8174	13578	26458	2999	2636	12545	0	0	0	11119	15518	14682	0	0	11260	4851	10732	0	2190	32943	0	21519	4333	Organosulfur	0.3125	1.5625	0.0625
18	C16 H25 O7 N1	344.17038	344.1708	0.035426065	344.17038	260049	238926	240563	228655	258985	230130	159358	291519	244998	242774	160493	159718	471931	150528	230907	293267	227537	503065	472682	358110	314993	201161	252644	297443	163363	273898	146784	158882	295205	240473	214768	250964	298050	250613	231754	300167	303898	163886	197722	258340	226386	241936	10322	2029	2831	191123	173857	1812	251122	231336	237653	225840	254344	3226	532505	305469	163665	263978	173424	161598	289593	181598	320057	335030	139982	299919	231624	200853	257016	299847	279048	206515	215441	238887	234063	230770	1819	170579	226578	150056	178265	111670	152861	164814	301206	215635	207382	201222	228271	156969	237241	267989	305415	138531	238537	3430	242362	283086	201257	214621	298275	361248	147012	279559	104165	191028	256346	2043	161399	350541	Lipid	0.4375	1.5625	0.0625
2	C16 H25 O7 N1	344.17038	344.17105	-0.02303802	344.17038	59820	57176	52332	53076	42030	21374	14715	75560	45228	20768	13554	42312	60708	10647	40714	25704	40986	59644	60330	23736	61110	62546	40864	40754	22358	4867	6499	12318	83056	26000	73064	64760	108060	62102	63646	65246	82206	32170	55722	45280	21559	22490	351	0	398	30860	27574	0	76834	42156	55924	62390	21337	256	51886	27554	8381	66412	35856	28712	35766	11074	67162	50694	7967	29536	47870	56082	10440	13717	15719	60082	64164	61584	6927	60924	285	47152	29098	10263	24722	30013	11505	6986	34640	23574	32300	36312	53286	59688	65334	36544	69744	28742	10982	560	55206	54522	13583	17943	33250	61224	38678	62812	18367	64928	25794	0	23632	79910	Lipid	0.4375	1.5625	0.0625
8	C16 H25 O7 N1	344.17038	344.17093	0.026013996	344.17038	109888	106880	93174	111301	61423	55761	75036	152363	79653	95775	49805	77641	125713	33710	106508	149447	116690	109320	128433	150445	145901	133608	126594	145337	83233	68934	64607	35153	388226	144374	101106	139917	124833	120766	132669	148085	127362	80415	110497	96965	83610	93450	2230	550	909	132118	119685	539	268765	126665	106704	108927	71265	1238	142442	85421	49836	113006	116660	97463	146578	62370	105572	98683	57193	87137	71565	99543	64795	78931	75400	113030	115138	117908	105760	163052	463	80384	101071	55449	87872	70197	100724	53687	97486	56751	94607	63681	100413	109417	90891	135184	336300	65378	106117	1190	113825	139316	57709	85425	103703	140962	82191	194631	46877	102045	90765	477	74630	110869	Lipid	0.4375	1.5625	0.0625
4	C16 H25 O7 N1	344.17038	344.17096	-0.007632437	344.17038	62052	63820	63580	59260	39940	22858	27922	77506	63406	34416	18543	33236	97734	14708	48570	32639	46750	78194	78634	40233	32050	87956	57708	38281	36228	13834	12849	9979	49372	55024	64638	35573	90912	27657	48059	72580	80858	35372	58840	33374	22395	24338	867	378	619	30910	26876	406	44909	58506	66764	57444	49534	694	82316	45518	25288	73874	69268	20894	67278	19602	84876	68826	17549	69462	44262	21759	15162	20978	16006	55550	56812	65626	11966	57216	364	43600	18955	16026	32606	14921	39736	12170	49790	34404	36474	16767	47610	52184	41206	54508	89744	16016	26895	817	61846	71996	17545	51360	25362	72622	41946	50538	17304	56138	20198	336	29560	108942	Lipid	0.4375	1.5625	0.0625
6	C16 H25 O7 N1	344.17038	344.17096	-0.020255897	344.17038	61389	62370	125796	119292	37847	41508	41721	159626	50061	69831	31772	38521	72723	23829	118746	74881	48156	68602	160056	77977	80829	173814	115218	156174	76800	28260	32524	27249	84685	138128	135508	140488	168830	124314	197228	144866	161994	80344	58336	57735	44937	46448	1625	401	562	70207	60486	361	77034	140842	121772	114100	38263	528	158330	44640	25276	148946	70409	51166	81838	34426	70414	51966	52601	59222	47252	59346	32994	42806	41630	54966	119708	137680	29682	54234	362	84146	40975	26451	36707	36159	94682	26059	45633	32931	44713	32778	46007	114870	74114	193664	194714	39094	58490	0	57833	125802	29853	43075	49865	78693	40953	101711	29302	116166	41704	328	34209	92544	Lipid	0.4375	1.5625	0.0625
2	C15 H25 O6 N3	344.1816	344.18225	0.005832629	344.1816	59430	60882	50091	52092	27056	50037	23105	44206	29536	17120	82290	28100	42152	16163	32961	24786	35537	46158	38480	11638	12781	36410	34448	42050	24682	1153	10349	345945	45557	25700	41877	35459	58604	32044	20425	30194	49782	28033	43334	7418	7604	31303	261	0	0	13979	8388	0	41117	26064	59655	57486	27714	0	34963	11962	13419	47041	12751	8094	31026	4347	32803	25595	13917	43870	34923	47061	1978	5548	4921	35905	30906	29996	10432	29544	0	25857	28592	1069178	27566	7876	8924	3474	19099	18142	34519	34906	29837	73000	1607481	920499	87021	245456	11446	0	56418	56235	21210	14581	15234	33047	30203	18717	6453	45492	20176	0	26583	49575	Peptide	0.4	1.6666666	0.2
14	C15 H25 O6 N3	344.1816	344.18198	0.014940818	344.1816	2322	0	2132	1541	0	0	0	1897	0	0	0	0	0	0	0	2522	0	0	0	0	0	0	0	0	2449	0	0	31480	1400	1397	1458	0	2055	1308	0	0	0	1302	1691	0	0	1278	0	0	0	0	0	0	1602	0	2327	3366	0	336	0	0	0	1585	0	0	0	0	0	0	0	2515	0	1244	0	0	0	1768	1986	1876	0	1058	0	1082	1934	0	0	0	0	0	0	0	4310	0	1656	0	47051	44795	4884	0	0	0	2800	0	0	0	0	0	0	0	0	2401	0	0	1160	2268	Peptide	0.4	1.6666666	0.2
16	C15 H25 O6 N3	344.1816	344.1821	0.17261167	344.18167	0	0	0	0	0	0	0	0	0	0	2654	1082	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27398	0	0	0	0	0	0	0	0	0	0	1513	0	0	0	0	0	0	0	0	0	0	0	0	1499	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1795	0	0	0	0	0	9973	0	0	0	0	0	0	0	0	0	0	39874	24344	0	1309	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.6666666	0.2
4	C15 H25 O6 N3	344.1816	344.18225	0.013019831	344.1816	30868	33747	35329	30646	13112	14681	14299	25801	21015	12261	23720	10695	27077	7101	21040	28823	15527	53119	27328	8480	8488	25638	20061	26280	23140	1652	11170	65772	21372	18107	22441	20538	31445	18235	17613	21114	29413	18166	20996	5642	4621	14936	0	0	0	13138	7053	0	21314	15807	32366	27394	14182	0	34511	8417	8240	26354	11699	6794	23501	4574	20096	26378	7044	24539	13249	17997	1305	4119	1946	19474	19541	21764	9121	16884	0	14589	15596	458881	14546	6549	9103	3368	14062	14370	16893	11099	14228	22431	1131273	487783	51832	91870	21957	0	30514	35046	13303	10897	11999	26649	13893	14426	5579	22638	14442	0	11680	23321	Peptide	0.4	1.6666666	0.2
8	C15 H25 O6 N3	344.1816	344.18216	0.080263615	344.18164	15719	17613	18223	18919	3344	8303	13249	20515	6024	7515	7330	13301	9025	3285	22834	21280	15227	15058	11341	8148	5310	17297	14829	21085	15604	722	9510	32143	15383	11031	13765	15724	19637	11807	10327	13677	22185	16426	16014	5387	1828	5875	0	0	0	5250	2042	0	19806	17539	18673	17644	4786	0	9365	3501	5051	18355	6069	2638	18673	3532	9408	7508	3947	8570	7009	15396	0	1663	0	16000	13944	13340	9161	13005	0	11125	13867	78469	12342	3368	5042	1218	5046	0	15076	7213	9563	18400	318232	166588	36480	21023	6476	0	15212	16109	5804	4387	3552	17103	11903	9163	0	19934	4009	0	10272	8016	Peptide	0.4	1.6666666	0.2
6	C15 H25 O6 N3	344.1816	344.1822	0.020821493	344.1816	34937	35208	32887	37368	13938	15485	23932	41375	43052	19356	15710	18469	24174	7555	31323	49193	25378	36657	33692	13944	9801	37708	27781	45465	29085	645	24613	60166	35842	26169	35691	35946	46044	33096	24384	32074	41057	26994	37384	10568	8638	16700	0	0	0	21184	14303	0	44412	29534	42565	40629	16972	0	75772	7577	8783	43047	20082	9290	43079	6610	19045	25187	8524	20010	17433	38911	1738	6601	3137	34095	28953	30590	18242	25747	0	24963	19543	260325	22733	10858	12972	3019	12578	13998	24626	18317	19324	46688	649135	289857	60910	52299	23356	0	41543	35751	8304	8769	11487	36820	23856	19419	6905	37600	11500	0	26708	27038	Peptide	0.4	1.6666666	0.2
10	C20 H25 O4 N1	344.18564	344.1861	-0.04044795	344.1856	65534	60914	62425	48049	13081	17151	48623	100140	8592	135106	75857	66278	8002	14844	48638	91369	75982	10954	27236	166700	163878	48725	47712	73557	38079	146570	50437	86767	77321	97311	88362	113294	101841	110380	144368	106475	90238	48311	108160	108265	91345	23860	746	0	0	55047	59380	0	82408	93243	65254	70053	19167	0	11631	3942	11482	77468	0	30512	74508	46289	8470	9076	13422	15539	26518	114787	104925	172118	187035	112195	118659	118704	101489	106215	0	58268	47442	47358	47599	9178	7257	71614	6197	12189	37653	26935	30283	71710	60429	15290	67027	48465	86237	0	69529	64246	9907	4977	4616	93355	52865	81834	17016	65152	6421	0	49899	10078	Phytochemical	0.2	1.25	0.05
20	C20 H25 O4 N1	344.18564	344.18604	0.03993188	344.18564	56541	60028	56440	55024	38449	27988	24573	45337	21713	104317	97128	31875	27100	23885	31200	65567	55600	28726	46778	133685	152793	77250	29598	58815	28836	195422	27664	95773	46623	37694	34482	51174	49153	49475	101361	43015	52792	24892	59406	118031	165868	34763	2555	0	0	52238	84124	0	44254	44181	59241	65473	34991	1291	20219	21391	21128	59923	31457	59619	58544	75338	27692	26278	20505	32207	37544	68511	172341	185997	255776	40884	39616	32578	54132	35844	0	25967	35843	80263	30104	37686	42228	78795	26759	21562	51138	36722	28908	94212	74052	77255	88347	75939	84482	1075	58916	57524	25054	20043	27965	55185	25471	60767	38513	50363	25408	0	36580	30599	Phytochemical	0.2	1.25	0.05
24	C20 H25 O4 N1	344.18564	344.186	0.058624066	344.18567	21689	16888	20559	18095	17334	14237	6145	17206	11148	33760	45195	10577	11852	12006	11335	21258	19722	18446	17753	35878	41059	21738	12087	23556	9756	58117	6338	45685	15290	17480	14383	18299	15727	18737	20323	21622	20295	8367	18651	39943	56456	14267	0	0	0	22358	29735	2267	18590	14680	16555	18096	17330	0	7226	9780	9096	23674	11603	20148	22304	27254	12910	10985	5983	18433	15220	22020	55493	44793	63035	16041	19068	14128	15545	10670	8475	9920	14870	21594	9362	15979	15753	34806	14024	9787	14123	17249	12818	28296	24392	21010	23686	32133	28974	3343	20539	14898	11766	12438	13064	22430	9988	30026	11235	18018	14863	2520	14163	12116	Phytochemical	0.2	1.25	0.05
12	C20 H25 O4 N1	344.18564	344.1861	-0.057263806	344.1856	29714	33213	26863	29933	13460	15061	14132	27932	12867	87232	65827	14759	7561	10105	19680	34379	22327	11386	21235	131154	127085	21120	16516	27015	13150	174249	16728	54357	26114	23644	23349	29758	38868	31207	115872	34381	31326	15277	35488	70544	47959	13960	325	0	0	38281	42286	0	32218	21944	33934	34207	12926	0	12853	6198	8135	30631	0	10048	17360	23020	11883	9080	8963	14080	17976	45896	117362	198265	210898	26401	25889	19783	34239	24043	0	15058	21581	18761	15994	8668	5514	45767	8006	6456	20209	11528	14351	60887	37158	15980	47909	25913	55320	0	33399	23764	10614	5133	5891	32466	14674	21092	0	25412	6824	0	20036	8590	Phytochemical	0.2	1.25	0.05
18	C20 H25 O4 N1	344.18564	344.18604	-4.8E-5	344.18564	43596	53608	46535	51764	25794	18066	26910	33573	13829	92286	74642	25941	14430	22516	28203	58064	48879	20721	25263	107212	114950	59405	21882	48065	26999	167114	28266	68822	34332	33184	36295	37527	41520	40784	73673	35370	46446	25168	58939	95456	135421	23252	3277	1311	1329	45119	55038	0	41671	34590	51528	46533	19156	2527	13187	14249	18658	44087	21571	53213	40579	59817	14191	15515	13504	25884	25876	56464	138610	147588	229206	36743	26883	28198	43581	41432	0	25089	34151	60671	26962	35111	32385	65684	23057	17088	41076	33050	24244	90603	66573	61815	81100	57154	72673	3733	52750	44079	17486	16445	18145	52490	20305	44989	28252	41616	16700	0	33320	23235	Phytochemical	0.2	1.25	0.05
8	C20 H25 O4 N1	344.18564	344.18616	-0.001238201	344.18564	60597	54007	47306	56344	11331	16688	36861	76945	10985	112079	65778	41413	10106	10388	59548	76469	57945	14083	29019	143589	133955	40905	41750	73231	33746	125069	49512	62025	57302	61345	60133	72186	70738	65631	129810	63276	57413	54484	68652	84971	51271	21866	0	0	0	53647	61888	0	76093	69507	54703	53835	18453	0	10419	5077	11286	57345	0	7288	65719	38926	11681	9645	11877	14227	25217	75724	80450	156509	157203	71025	63460	61869	61033	67100	0	45531	38786	55244	40550	8351	10825	64630	6198	8668	35287	26667	28021	68314	51286	14389	93396	48056	98338	0	57023	58048	6773	4046	6008	62038	39203	59723	20356	59914	6643	0	44536	10650	Phytochemical	0.2	1.25	0.05
16	C20 H25 O4 N1	344.18564	344.18607	-0.030768082	344.18564	32571	30675	32494	36680	18258	13717	19974	28359	11966	54961	53562	19575	9554	14489	18655	38375	40265	10605	19998	82100	87276	44676	16499	36958	22077	121176	24855	44266	27247	21333	26577	35656	30495	23861	72374	23052	33764	14005	38939	65222	89266	13765	696	0	0	32248	42426	0	32623	25793	38438	38463	16154	282	8282	6958	11059	36673	8723	37350	27595	31854	8666	12364	8964	13252	19959	47750	95623	129519	177031	26431	18929	22042	30186	32082	0	15287	21226	40160	18706	19446	19327	48636	10543	7445	29856	20319	16760	76441	53163	29923	52998	33851	49526	0	32355	40311	10589	14255	17270	31200	17044	21421	15632	28038	9932	0	29619	11631	Phytochemical	0.2	1.25	0.05
10	C13 H29 O9 N1	344.1915	344.19208	0.063674584	344.19153	0	987	1308	0	0	0	0	0	0	0	2757	0	0	0	0	0	0	1107	0	0	0	0	0	0	0	0	1035	24722	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1715	1398	2601	2020	2113	1276	0	0	0	0	0	3297	0	920	0	0	0	0	0	2077	0	0	2054	0	0	0	0	2195	2167	0	0	0	0	0	2620	0	0	29256	0	0	0	0	0	1186	0	0	0	0	0	2226	0	1916	2334	1232	0	1735	0	0	986	0	0	0	42068	0	856	1475	0	0	A-Sugar	0.6923077	2.2307692	0.07692308
8	C13 H29 O9 N1	344.1915	344.19217	0.09426963	344.19153	3188	3512	2963	4918	0	0	1100	0	0	9576	17420	0	0	0	1938	1944	1926	988	1516	6015	3695	2986	1462	0	978	3373	6540	49266	1579	1601	0	1093	0	1053	0	1878	0	0	844	6868	6910	2649	4853	908	2541	16217	33483	1370	0	1824	5361	3929	1265	3693	1577	1782	3842	1857	8770	4943	14110	11642	3401	1900	2584	2607	2453	1538	23632	12359	32160	1142	0	2527	1243	744	2710	689	1418	90557	0	1608	686	0	2464	0	0	0	0	0	18464	0	0	11144	20232	1231	4977	5518	1025	0	2675	0	0	16202	243393	0	1967	1071	609	1309	A-Sugar	0.6923077	2.2307692	0.07692308
14	C19 H25 O3 N3	344.19687	344.19727	0.18705855	344.19693	0	0	0	0	0	0	0	1834	0	0	0	0	0	0	1215	0	2181	0	0	0	0	0	0	3905	1162	1830	2119	0	2352	0	1257	0	3439	0	0	1768	2830	1211	4468	1451	0	0	0	0	0	4789	10456	0	0	1085	2301	2087	992	0	0	0	0	4318	0	0	0	0	0	0	0	0	0	3467	0	1858	2207	1709	1104	3226	2506	2449	0	1377	0	14865	1285	1411	0	1889	0	0	0	0	0	0	23728	3808	2712	5701	7058	0	0	0	0	0	0	0	1069	3000	0	0	0	0	1450	0	Peptide	0.15789473	1.3157895	0.15789473
4	C17 H29 O6 N1	344.20676	344.20737	-0.036708374	344.20676	18255	18138	18859	18379	6242	6983	16928	24332	6668	11082	8350	11073	9061	5803	15794	25015	13405	9938	11639	17488	10533	23134	11012	17537	18088	7078	28008	7507	24377	17931	22514	19881	23415	15171	17508	18072	20253	13206	16306	9483	18243	7634	0	0	0	12431	26886	0	24141	18650	16691	15471	7711	0	12664	5942	4417	22769	6863	4718	20328	8190	8204	7894	26777	10612	8667	15763	70238	10340	34429	16073	15471	18987	10971	17524	0	15592	12002	13302	8183	14799	8985	7130	6769	6764	20929	5599	8852	25360	43340	84150	33402	12892	15873	0	18452	19800	6513	6029	4952	20394	11368	20268	10335	13493	5833	0	11673	11641	Lipid	0.3529412	1.7058823	0.05882353
12	C17 H29 O6 N1	344.20676	344.20724	-0.01322234	344.20676	26594	22162	29884	24408	24508	26794	47442	65932	28554	13900	9208	29832	41448	48772	46272	38242	105450	40736	67298	27342	34096	32066	53736	33810	52928	31026	23578	0	70902	31358	41618	33806	63098	31320	35216	54622	40662	38998	86194	21012	18898	26812	928	0	0	41492	24704	0	35756	34470	29456	20326	36750	806	51224	43578	22870	42264	21244	28976	0	10514	36900	31032	32694	34214	39348	70258	0	28880	21362	33714	41976	43730	44558	27846	0	43484	50870	0	43490	28462	44036	25978	41352	32386	54564	21858	33356	140576	56594	42838	64164	17644	14524	1328	31724	48516	20302	47976	68662	35112	35820	29364	0	46624	32826	0	37256	30334	Lipid	0.3529412	1.7058823	0.05882353
20	C17 H29 O6 N1	344.20676	344.20715	0.022480473	344.20676	110868	109274	112545	90094	120265	108510	155405	115847	93777	88357	51144	68378	161491	91367	103309	119787	384094	186154	195851	123487	112379	75212	90220	103427	84828	67846	135890	68320	176074	122980	99457	132675	156332	139662	80987	140292	165843	74696	289618	59855	52296	119435	15527	5648	3845	65566	52594	4454	124058	96928	108959	101178	116948	5360	170756	101961	70521	119616	78915	49256	132025	39592	125800	108882	74808	152441	139831	509039	37082	50678	57542	104119	130640	140390	114428	119240	3997	77958	76330	84526	50908	41245	122406	115656	88849	92948	83653	98237	114666	62614	152589	152768	129324	56024	81837	5905	113130	129915	77004	82181	107716	189378	64503	121661	60787	93467	93825	4814	67314	144359	Lipid	0.3529412	1.7058823	0.05882353
22	C17 H29 O6 N1	344.20676	344.20715	0.005171511	344.20676	57149	51938	58795	61192	89719	75441	80077	60367	67022	46678	32135	32238	110071	85668	59647	60409	39789	134777	117550	61919	55832	39646	47395	46334	55492	22208	69748	38279	85070	58551	45290	67008	85450	66303	54909	78498	96581	42641	37913	39650	30291	64792	7084	0	2166	42196	32354	0	61903	44759	56408	56243	71459	4201	123888	70982	50131	65926	48159	30594	58663	29107	90984	81633	51739	106741	90878	31140	19271	31974	28076	43796	54168	59793	38440	58512	1904	38922	45448	33910	32425	24448	51095	48467	68976	63298	53334	46493	70491	30466	79269	86692	64088	28728	47558	2824	56708	63688	52001	46636	58260	94962	32031	65853	36843	49682	67953	0	35700	103100	Lipid	0.3529412	1.7058823	0.05882353
16	C17 H29 O6 N1	344.20676	344.2072	-7.86801E-4	344.20676	57117	56716	58745	61227	41694	46474	96234	73957	34943	24447	23377	50836	65970	46898	64775	107658	95091	81734	105449	52573	49943	46228	67366	78056	69317	47099	96581	29777	96692	76630	62510	75000	86995	68608	32731	83466	77740	46620	85801	28137	34931	58067	5281	592	406	45925	41514	0	86797	73963	56926	58108	55116	1293	73912	63522	35655	82859	35470	35142	78809	20800	52370	49937	38966	69712	57820	66960	23784	30609	31215	50959	68184	83119	85567	75061	563	46662	56004	40959	37597	28485	146589	85292	60271	54170	72675	54990	58301	105765	68670	80267	106920	29658	52260	1055	62589	85358	40458	53636	80921	110078	34837	62335	21563	69555	54887	364	48360	49211	Lipid	0.3529412	1.7058823	0.05882353
2	C16 H29 O5 N3	344.218	344.21863	0.023821764	344.21802	3740	3209	2589	4527	2958	0	2742	4872	3350	685	0	962	3974	1227	2999	3855	2648	3058	3372	1009	1138	2882	2331	3303	3644	0	0	1668	5318	3066	4137	5209	4893	2736	1394	3574	3388	2277	2323	685	0	0	0	0	0	1000	605	0	4105	2425	2339	2849	1950	0	3027	594	977	5556	337	217	3344	280	2342	2410	0	3488	2467	3373	0	374	493	2276	2413	2015	913	2830	0	2468	2682	9842	1106	0	476	408	925	1373	5431	1743	2313	9044	26553	15790	8005	1352	621	0	2647	3456	1263	849	1097	3042	1961	1207	433	3653	1848	0	2748	3790	Peptide	0.3125	1.8125	0.1875
4	C16 H29 O5 N3	344.218	344.2186	0.06751309	344.21802	3180	2614	3610	2431	2452	9650	1184	3524	2114	0	0	575	3134	1236	1898	2924	0	2860	2714	0	1226	1964	1748	2597	2653	1416	1324	3161	2502	1564	2281	2509	2877	1467	1342	2291	2195	1586	2652	0	1347	930	0	0	0	0	0	0	2584	1545	3914	2893	1593	0	3179	906	942	4664	0	0	3610	976	3081	1332	0	2967	1098	1818	0	0	0	1291	1583	1705	0	1509	0	1093	1987	15090	1213	0	482	535	1672	1286	2878	935	710	2561	214802	95401	7283	1573	1630	0	3106	3427	1820	1908	1226	2920	1145	1423	0	2614	1868	0	1552	3175	Peptide	0.3125	1.8125	0.1875
8	C16 H29 O5 N3	344.218	344.2185	0.07892137	344.21802	1997	2751	1246	1929	920	746	0	2075	780	0	0	796	1344	0	848	5515	4207	893	872	0	0	1218	967	1044	2379	0	0	0	2961	1720	1613	3467	2600	2562	1613	2118	3301	1874	3606	0	1419	1949	0	0	0	0	0	0	2741	853	1105	3061	1092	0	0	0	493	5351	2231	0	0	0	1413	0	0	2198	1276	3585	10330	0	0	1718	2107	1158	1856	1713	0	1203	0	0	932	0	0	0	0	0	0	0	1157	2537	56697	18298	2387	1384	0	0	1668	1428	0	898	0	0	838	4107	0	2178	0	0	2230	1715	Peptide	0.3125	1.8125	0.1875
20	C21 H29 O3 N1	344.22202	344.22244	0.11886849	344.22208	3868	7702	6713	5528	0	2505	3096	5297	0	2814	8486	5392	0	0	0	7986	9534	0	3246	5383	3501	5294	2032	8241	2654	22162	3917	3665	3015	6518	3121	6230	7548	6632	8883	4995	4323	3404	12661	7060	13762	1514	0	0	0	3780	3909	0	7068	6116	3774	4848	2633	0	0	0	2144	8417	2692	6776	4573	3403	0	0	1926	0	2840	13576	13491	9316	17802	8251	8390	2897	7197	7070	0	2274	4043	6275	1645	2744	3920	0	1692	0	7791	5427	2281	24496	7426	5341	6186	4258	6679	0	4786	5363	2148	0	1797	6426	4433	6796	2760	4745	2826	0	6383	0	Lipid	0.14285715	1.3809524	0.04761905
14	C21 H29 O3 N1	344.22202	344.22244	-0.034230683	344.22202	3256	4023	2778	2812	0	4350	36371	2781	0	7546	11018	4246	0	0	2712	4032	2616	0	0	8807	11516	0	1615	4183	4444	19238	27841	8577	4634	3922	3843	0	6943	6681	11563	5132	5618	2537	1843	8047	0	0	0	0	0	2769	0	0	3020	4120	3101	3863	2778	0	0	0	0	4586	0	0	0	1518	0	0	998	1248	944	4790	0	21407	18754	5707	4023	3237	5377	3447	0	2882	2162	0	0	0	0	5875	0	0	0	1772	1261	10745	6000	0	8276	0	8295	0	5359	3279	0	0	0	3303	3909	0	0	3728	0	0	0	0	Lipid	0.14285715	1.3809524	0.04761905
10	C21 H29 O3 N1	344.22202	344.2225	-0.008756242	344.22202	17977	17061	16163	16020	1347	20019	34576	32401	0	25723	23053	75927	0	1315	55460	37171	9317	1850	4423	37490	30199	4619	11347	29208	16590	24664	48157	13371	19263	22087	26926	29565	20473	20734	28277	25576	26423	48561	12708	13757	0	9102	0	0	0	4909	11106	0	27925	21030	15673	17661	3869	0	0	0	1663	26946	0	0	36545	2548	990	0	4756	1378	4253	27856	13726	28343	23262	25182	20916	19252	21744	22073	0	59697	6101	5346	8022	0	0	9467	0	791	7154	9903	8553	58911	30087	0	38827	9863	22608	0	17961	17772	1375	0	0	21099	51987	6313	0	28966	1244	0	9031	0	Lipid	0.14285715	1.3809524	0.04761905
12	C21 H29 O3 N1	344.22202	344.22247	0.00129136	344.22202	10012	5987	8826	7098	1280	6956	11976	11686	1145	15598	19470	7569	0	1134	4751	17503	7733	1680	2103	34713	25782	0	3832	13571	5431	27917	9127	10655	10780	9796	12362	12213	13152	13827	26140	11399	13746	5999	4661	7751	0	4975	0	0	0	4826	4449	0	14234	9936	6343	7780	1875	0	0	0	1456	20805	0	0	0	0	0	0	1437	2008	4761	11848	0	33308	24566	11602	10990	9060	10167	12844	0	10149	3509	0	4451	0	0	9791	0	790	2212	2509	5027	18139	14111	0	24008	5113	20176	0	7519	9611	0	0	0	11538	9251	3093	32105	17388	0	0	3134	0	Lipid	0.14285715	1.3809524	0.04761905
24	C21 H29 O3 N1	344.22202	344.2224	0.089790076	344.22205	10321	11728	14189	11154	6405	6262	5321	12552	4166	10219	18593	8917	2562	2850	5939	16984	12694	6430	6863	13373	15337	7773	5646	13011	9860	39791	5183	21111	9071	14044	8599	11839	9793	14111	11251	15377	11417	5095	12586	19654	24901	6722	0	0	0	11413	14947	0	10624	12695	9435	8746	6250	0	2836	5265	4230	12970	7254	13955	13894	9378	2247	2470	2959	5609	11798	12541	29365	19288	32360	11119	11434	10735	9822	12678	0	5752	10527	15649	4997	8605	12466	16765	3089	3409	12536	7938	10360	39182	17622	19162	25377	12623	10909	0	10691	11237	4947	8672	7216	12922	7625	13490	6994	14811	4122	0	13722	2604	Lipid	0.14285715	1.3809524	0.04761905
22	C21 H29 O3 N1	344.22202	344.2224	0.028597739	344.22202	11888	10023	7486	8675	4036	3851	5404	14177	1828	8863	14155	7848	0	0	5045	16887	20325	0	4016	10760	12623	18265	2904	15014	6328	36059	7870	14512	11329	11576	11612	15620	7602	26614	4386	10699	9362	4210	16402	16806	21999	5865	0	0	0	7949	14776	0	11361	12772	7058	9208	5173	0	2538	0	2926	15880	1761	19760	17507	6351	3327	1608	1710	3884	5368	18780	19711	15445	34598	24977	24085	9635	11418	10153	0	5481	7425	15457	5743	5236	4818	7444	1697	3323	8372	8856	5559	53960	20179	16279	17518	17078	20623	0	7228	11377	2318	1873	2810	10541	7234	13537	5269	13075	3943	0	11192	4616	Lipid	0.14285715	1.3809524	0.04761905
8	C21 H29 O3 N1	344.22202	344.2225	0.002408315	344.22202	18664	20785	16592	20617	816	107737	11522	29213	709	19954	14028	15213	0	1083	14765	28269	20137	870	4899	28981	26544	5081	11407	30391	12566	13655	15598	12218	25170	24200	26460	30732	26065	24326	20139	26156	30958	12349	19575	12632	0	25336	0	0	0	6008	6504	0	28818	23180	16339	19809	3114	0	868	0	2169	24599	0	0	21271	2736	0	0	2530	1790	5740	27487	5979	13131	10541	25811	26002	25851	26768	24556	0	17371	8355	46697	8883	0	0	12554	0	0	5802	8177	7660	38155	22758	0	36568	8782	19513	0	18924	15910	2018	0	0	29148	12909	12216	0	24308	0	0	9592	0	Lipid	0.14285715	1.3809524	0.04761905
16	C21 H29 O3 N1	344.22202	344.2224	0.051010694	344.22205	2329	3405	1695	5160	0	0	2086	3083	0	4488	4694	1488	0	1589	0	6484	6066	0	0	4960	8786	0	1471	2385	2404	11910	2195	3600	3761	3508	2104	0	3593	4234	4188	3297	3329	989	4925	1579	3607	0	0	0	0	1090	0	0	2117	0	2373	2566	0	0	0	0	0	6231	0	0	0	0	0	0	0	0	1283	9828	6613	9770	9426	3093	1570	0	2830	3053	0	1289	1847	0	0	0	0	1923	0	0	2740	5032	1404	34115	5596	0	0	1370	4335	0	2129	0	0	0	0	6827	0	0	0	0	0	0	1133	0	Lipid	0.14285715	1.3809524	0.04761905
26	C21 H29 O3 N1	344.22202	344.2224	0.07897116	344.22205	6740	7962	7407	6330	6146	2617	2825	0	2878	5306	17440	0	3830	2949	0	8144	5642	0	4571	12279	12254	9201	0	6981	8881	28737	0	19840	0	8252	5740	4058	5786	6708	7902	8549	5310	3751	7124	8453	15877	6757	0	0	0	6005	0	0	5772	7354	7239	6351	5718	0	0	0	0	6594	6235	3952	7907	7783	0	2249	0	7346	6178	6978	22885	8893	19080	7392	6262	6793	0	6873	0	2695	9663	10621	2975	11617	7962	11754	0	0	10261	0	3986	14417	18815	27563	10908	16741	12340	0	6916	7335	4509	3086	5498	11206	0	11201	7817	6779	0	0	9868	1800	Lipid	0.14285715	1.3809524	0.04761905
8	C18 H30 O2 N3 Na1	344.23083	344.23138	-0.34985334	344.2307	0	4040	3695	0	0	0	0	4100	0	0	0	0	0	14403	0	14595	9229	0	0	0	7849	0	0	40426	0	0	0	36707	18362	0	15812	0	0	0	0	0	0	0	0	11178	32076	0	0	0	0	153004	0	407	0	0	0	0	2182	0	0	0	0	0	0	0	0	1855	0	1996	2534	3205	0	0	0	0	0	0	2812	0	0	0	1901	0	0	0	1633	4376	0	0	1116	0	0	2086	0	0	0	0	0	42717	0	0	5229	0	0	0	3665	0	0	58201	47298	0	0	0	0	0	Unclassified	0.11111111	1.6666666	0.16666667
8	C20 H29 O2 N3	344.23325	344.23373	0.12656048	344.2333	0	1382	4682	0	1686	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1643	0	0	0	0	0	0	0	0	0	0	0	0	0	0	868	0	0	0	1308	0	0	0	0	0	0	0	0	0	0	0	0	0	6640	0	0	0	0	0	0	0	0	0	4157	0	0	0	0	0	0	0	0	67067	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1103	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.1	1.45	0.15
16	C20 H29 O2 N3	344.23325	344.2337	0.032600593	344.23328	2972	0	1457	0	0	0	14061	0	0	0	0	19757	0	0	10224	3656	11996	0	0	0	0	0	2748	7597	16668	0	19863	2196	0	4896	1396	0	11477	0	0	4522	12221	11497	3901	0	0	0	0	0	0	0	0	0	0	4227	0	1922	0	0	0	0	0	1686	0	0	0	0	0	0	0	0	0	29640	0	0	0	0	0	2555	4246	0	0	18040	0	0	8228	0	0	0	0	0	0	0	0	0	0	0	48030	0	0	0	0	3128	0	0	0	24213	21748	0	0	17381	0	0	8795	0	Unclassified	0.1	1.45	0.15
20	C18 H33 O5 N1	344.24316	344.2435	0.036905818	344.24316	5822	7166	6611	6006	3039	9944	58910	5866	0	5977	1752	2445	4098	15807	3472	7480	11261	6310	0	0	2383	3512	1429	2683	1739	6268	51966	4215	3501	3938	3410	8714	12433	9791	2368	9800	7022	1756	10052	3182	3988	42398	4309	0	0	4875	4742	0	16802	19042	7225	7933	2004	5557	0	3353	2506	10456	0	21426	8662	0	6844	0	8268	14194	9353	11002	0	0	2023	7641	5485	6207	8156	9878	0	3506	2532	13873	1217	2099	48010	47295	0	2135	6553	6529	3834	8476	23379	5394	7412	0	11109	1030	8969	8471	1866	0	4156	7498	1840	1678	2151	6308	2433	0	1561	20041	Lipid	0.2777778	1.8333334	0.055555556
18	C18 H33 O5 N1	344.24316	344.24353	0.039463803	344.24316	6681	7155	4498	5236	1502	8607	23246	13123	3781	3608	3749	2738	2397	6813	0	19889	10186	3102	2721	0	0	6528	3020	0	2379	5059	21173	2538	11178	16515	13095	9806	8794	7738	7907	13028	4982	2411	13570	0	0	8581	2123	2462	302	1846	5390	5579	23947	40886	4759	9092	1281	4373	0	0	1913	15991	0	15412	20107	0	4455	1923	3201	5762	5951	36593	0	0	3557	19619	7632	6238	23034	12466	733	2295	31942	5976	3934	3602	29016	31879	0	1987	8543	5714	2389	22420	14571	3444	5715	22952	14425	0	10464	7502	4669	0	9449	2770	2616	1861	1367	23664	15071	1350	2904	9238	Lipid	0.2777778	1.8333334	0.055555556
16	C18 H33 O5 N1	344.24316	344.24353	-0.056441844	344.24313	1653	2444	2115	0	0	10717	1910	2424	0	3767	0	0	0	1943	0	4047	1414	0	0	0	0	0	1557	2061	1513	0	2565	0	0	2403	2182	3437	8448	1735	2930	3820	0	1191	2497	1759	0	6723	366	0	0	6047	3583	457	9840	18228	2995	0	0	4192	0	0	0	3717	0	17459	0	0	8443	0	0	10914	0	6054	0	0	0	0	1334	2448	3871	5971	0	0	3532	7542	0	0	1207	1540	0	0	3760	3175	0	0	35952	2194	0	2912	19370	0	1581	1654	0	0	1897	1783	0	0	0	0	2011	0	1115	19409	Lipid	0.2777778	1.8333334	0.055555556
26	C18 H33 O5 N1	344.24316	344.2435	0.05114134	344.24316	12140	11451	10917	7962	3969	4815	13094	12009	2800	3427	2892	0	4999	7335	0	12239	7473	11586	0	0	0	0	0	6021	0	0	12095	14202	5291	10359	9985	8140	13127	7178	17130	7960	10189	5384	11799	0	4005	0	0	0	0	0	13218	0	15693	20670	9639	9231	3940	0	4929	0	2980	10638	2766	63281	11341	0	161524	2725	4374	16938	6254	15296	0	0	0	7438	5332	0	0	8895	0	4293	6363	17880	0	7382	738534	0	5136	10921	3910	10381	3976	8263	21498	20952	11044	3935	12100	0	11800	10025	6473	0	0	12198	2721	0	7380	8918	9036	0	3222	4404	Lipid	0.2777778	1.8333334	0.055555556
24	C18 H33 O5 N1	344.24316	344.24353	0.024482388	344.24316	21350	26513	22705	24587	21024	31706	65421	17581	10098	34047	10873	6596	12286	44855	9126	38706	24341	20029	16188	9036	12479	8192	7512	6863	11776	2829	48871	28181	14919	37864	17546	36622	39678	18931	8534	24710	20047	11095	20396	10390	19170	40795	26831	0	0	12498	56224	0	61157	113541	23937	19498	15394	11404	9484	4833	9868	33010	8958	283200	24663	3591	22021	6353	28712	56754	40284	40724	2626	3152	8380	12412	13918	17597	14402	58155	0	6245	6887	54469	3595	12973	21880	17115	6296	12819	9444	50805	16291	22711	78829	55531	45026	9098	54762	2596	21655	23089	21537	5478	9267	25295	7619	11458	29572	18980	12193	0	10681	31782	Lipid	0.2777778	1.8333334	0.055555556
22	C18 H33 O5 N1	344.24316	344.24353	-0.019178865	344.24313	24873	24484	25288	26780	13749	23635	199392	26597	9504	11855	10228	25734	7728	33950	8725	41801	50439	13955	13395	5324	5411	18292	6130	14788	10912	11765	135176	19565	40268	34481	28574	34891	38678	27826	18643	39900	30806	10141	62888	4751	5997	26382	18262	0	1486	9742	27906	7374	52708	48819	26758	28840	11974	10130	5683	6577	11118	38464	12478	34962	38908	2016	22700	5608	28075	35951	39010	87255	0	2498	15155	33392	26397	26817	37532	39877	1835	19033	29560	37402	9613	8278	79442	57899	5565	9160	15940	19645	11968	31652	48393	32193	23477	23838	16525	0	21575	27584	9965	7272	14013	37271	22550	7159	12678	93307	15900	0	11422	19266	Lipid	0.2777778	1.8333334	0.055555556
12	C18 H33 O5 N1	344.24316	344.24344	0.09619668	344.2432	2613	1818	2014	0	0	2346	0	2114	0	0	0	0	0	2590	970	2887	0	0	0	0	0	0	0	0	1115	0	0	0	2171	2503	4224	6621	2621	8490	1465	5891	3253	1307	0	0	0	1817	0	0	0	0	0	0	4895	3309	0	0	1007	0	0	0	0	3539	0	0	0	0	0	0	0	0	0	0	0	0	0	3866	4931	2749	1349	3095	0	2132	1632	0	860	0	0	1011	0	2060	2873	33209	10365	9163	10120	2221	2433	0	0	0	0	0	0	0	0	0	1222	0	0	0	0	0	0	1396	Lipid	0.2777778	1.8333334	0.055555556
8	C17 H33 O4 N3	344.2544	344.2547	-0.3642231	344.25427	20495	21986	27892	22636	823	17259	640	2183	0	0	13231	0	0	0	626	6677	1429	2444	0	0	0	0	0	4981	1717	0	2316	375963	0	807	2522	0	3082	1076	0	1492	1928	562	993	0	0	6726	457	0	0	0	0	0	2414	1315	29449	20164	1038	0	0	0	0	3820	0	0	0	0	0	660	2598	1261	0	0	0	0	0	902	0	0	836	0	0	581	0	2606113	0	0	0	0	952	0	1177	1120	981	4013	1254117	384122	2070	208802	12831	0	28962	27054	0	0	0	2235	0	3925	0	1769	0	0	776	0	Peptide	0.23529412	1.9411764	0.1764706
10	C17 H33 O4 N3	344.2544	344.25473	0.11300951	344.25443	14893	18006	16238	16946	0	14707	0	0	0	1814	3526	0	0	1827	0	1455	0	0	0	0	0	1693	0	0	0	0	0	125314	0	0	0	1164	1784	1646	0	0	2687	0	0	0	0	2532	0	0	0	0	0	0	0	0	14060	17915	817	0	0	0	0	1919	0	0	0	0	0	0	1318	0	0	0	0	0	0	1241	1071	0	0	0	0	0	0	577774	0	0	0	0	0	792	0	972	1052	1416	1175853	429676	0	56725	7422	0	15437	12535	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23529412	1.9411764	0.1764706
20	C17 H33 O4 N3	344.2544	344.25485	0.09412446	344.25443	0	0	0	0	0	0	0	3192	0	0	0	0	0	0	0	28814	0	0	0	0	0	0	0	23691	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2031	0	0	0	0	0	0	0	0	0	0	0	25181	0	0	24276	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2000	0	0	3276	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1451	0	Peptide	0.23529412	1.9411764	0.1764706
12	C17 H33 O4 N3	344.2544	344.25473	-0.003821238	344.2544	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1238	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1265	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	110951	59037	0	2769	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23529412	1.9411764	0.1764706
12	C22 H33 O2 N1	344.2584	344.25882	0.014506914	344.25842	0	1669	0	1334	0	0	0	2773	0	0	0	1704	0	0	0	3210	0	0	0	0	0	0	1707	0	0	0	2709	0	2554	4358	3900	7445	4546	5013	0	4500	2754	1118	0	0	0	0	0	0	0	0	0	0	4366	3266	3298	1887	0	0	0	0	0	3042	0	0	0	0	0	0	0	0	1353	0	0	0	0	4372	5602	8931	5358	3864	0	1862	1440	0	0	0	0	0	0	0	1383	0	0	21871	0	0	13004	0	2179	0	1414	0	0	0	0	3237	1098	0	0	8723	0	0	0	0	Lipid	0.09090909	1.5	0.045454547
18	C22 H33 O2 N1	344.2584	344.2588	-0.07554689	344.2584	0	0	0	0	0	0	0	17021	0	0	0	2117	0	0	2874	0	0	0	0	0	0	0	0	3164	5095	0	0	0	5966	7120	23004	2706	3083	0	0	6560	4833	1352	0	0	0	0	0	0	0	0	0	0	6303	20016	0	0	0	0	0	0	0	1360	0	0	0	0	0	0	0	0	0	2192	0	0	0	14214	4957	8060	0	6259	0	13959	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1889	3300	0	0	3354	0	0	0	0	Lipid	0.09090909	1.5	0.045454547
24	C22 H33 O2 N1	344.2584	344.25876	0.08741783	344.25842	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1812	0	0	0	0	0	0	0	0	1791	0	0	0	1553	1864	1138	0	0	0	0	1282	0	0	1233	0	0	0	0	0	0	0	0	0	2476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5602	7003	1826	4926	0	0	0	0	0	0	0	0	0	0	5012	0	0	22200	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1424	0	Lipid	0.09090909	1.5	0.045454547
22	C22 H33 O2 N1	344.2584	344.25867	0.18496454	344.25848	0	0	0	1479	0	0	0	1324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1476	0	0	0	0	0	0	1402	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1580	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9981	0	0	42293	0	0	2229	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1971	0	Lipid	0.09090909	1.5	0.045454547
16	C22 H33 O2 N1	344.2584	344.2588	0.008561358	344.25842	1991	2218	2281	3126	0	0	0	14628	0	0	2494	7004	0	0	4690	17531	0	0	0	2871	0	0	2151	13363	4410	0	4200	0	12559	15487	11690	15984	8359	14902	0	15478	10478	5773	0	0	0	0	0	0	0	1170	0	0	9652	18455	2315	0	0	0	0	0	0	5247	0	0	8251	0	0	0	0	0	0	9069	0	0	0	17183	13884	24184	8296	14126	0	5257	0	0	3334	0	0	2413	0	0	0	1106	1792	0	0	0	0	0	0	0	2348	0	0	0	0	7920	5777	0	0	0	0	0	0	0	Lipid	0.09090909	1.5	0.045454547
10	C16 H33 O3 N5	344.26562	344.26642	-0.05148615	344.2656	0	0	0	0	0	0	0	19491	0	0	0	0	0	0	5472	0	0	0	0	0	0	0	0	0	33154	0	0	0	8809	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.1875	2.0625	0.3125
12	C16 H33 O3 N5	344.26562	344.26605	-0.00895876	344.26562	19091	11951	34424	15839	0	0	53601	81682	0	3774	7383	104187	0	0	17509	35049	8566	0	0	0	4302	0	5708	9637	16936	0	19852	15776	44728	12456	56578	362041	760608	450344	1355	224175	325985	27393	2424	0	0	0	0	0	0	0	0	0	4032	25292	26459	12310	0	0	0	0	0	90879	0	0	32232	0	0	0	0	0	0	24803	0	4425	0	33115	157580	63115	3329	24662	0	177148	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25161	27589	0	0	0	111179	108997	0	0	34856	0	0	46977	0	Peptide	0.1875	2.0625	0.3125
26	C19 H37 O4 N1	344.27954	344.27966	0.094217375	344.27957	0	0	0	1972	0	0	28730	0	0	1992	3209	0	0	13074	0	0	0	0	0	0	0	0	0	0	0	0	23419	15324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4890	0	0	0	0	0	0	0	2213	0	0	0	0	0	0	0	0	0	0	0	3417	0	17910	0	3299	0	0	0	0	0	0	0	0	0	0	0	0	10886	0	3068	6521	4064	0	0	0	0	0	0	7327	9933	0	1852	0	0	0	0	2299	0	0	0	0	0	0	0	0	0	0	2694	Lipid	0.21052632	1.9473684	0.05263158
16	C19 H37 O4 N1	344.27954	344.2796	0.10251014	344.27957	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1412	0	0	1734	2856	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1398	0	0	0	0	0	0	0	0	0	0	2313	0	0	0	0	0	0	29866	6840	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21052632	1.9473684	0.05263158
14	C23 H37 O1 N1	344.2948	344.29486	-0.15294434	344.29474	2807	2984	1708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4827	0	948	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1717	1516	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1865	0	0	0	0	0	0	0	17823	0	0	519943	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3766	0	Lipid	0.04347826	1.6086956	0.04347826
20	C23 H37 O1 N1	344.2948	344.29532	0.23549421	344.29486	0	0	0	0	0	0	0	0	0	0	0	8567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1703	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1883	0	0	0	5517	0	0	0	0	0	0	0	0	0	0	0	29260	0	0	0	0	0	0	0	0	0	0	0	0	6876	0	0	0	0	0	0	0	Lipid	0.04347826	1.6086956	0.04347826
24	C20 H41 O3 N1	344.31592	344.3164	0.14162499	344.31598	0	0	0	0	0	0	0	0	0	0	0	2807	0	0	0	0	0	0	0	0	0	0	0	1979	31539	0	0	1655	0	0	0	0	0	0	0	0	0	1728	0	0	0	0	0	0	0	0	0	0	0	1737	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20557	0	0	0	0	0	0	7518	0	2524	1384	1705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1260	0	0	0	0	0	0	6499	0	0	0	81801	0	Lipid	0.15	2.05	0.05
24	C17 H12 O8	345.0605	345.06088	0.0695573	345.06052	8897	7120	8549	8879	19671	11558	2276	0	20120	5921	2005	3735	33866	10665	5878	3339	2489	28894	33176	4492	2905	12441	9931	4759	3189	0	2419	0	0	0	2318	1381	4230	0	7868	0	2488	3879	1114	2014	3549	4098	0	0	0	3932	5398	0	1978	0	6343	6597	17416	0	25936	15408	7678	2289	2690	1686	4333	2670	29070	23804	5858	25250	5796	1844	2468	1733	3842	1146	0	0	0	0	0	1705	16935	8170	14849	3846	0	2321	34663	15273	8541	8272	7055	4238	3443	3152	6576	11903	17957	0	5326	6983	12908	25389	21614	2914	3111	2407	2020	4185	16886	0	6302	35495	Phytochemical	0.47058824	0.7058824	0.0
28	C17 H12 O8	345.0605	345.06085	0.065474056	345.06052	7263	6076	7230	5841	12579	7278	4916	0	10742	5799	1988	2836	21728	9284	3699	2048	3718	19346	17394	2640	3226	9440	4875	2619	4166	0	4242	1946	0	0	2325	1628	2767	0	5780	0	3504	3830	3379	2205	6885	0	1775	0	0	3653	4641	0	1496	0	5778	4943	8774	0	14911	9534	4650	2447	1959	2245	3527	1582	17177	8612	7694	16367	5055	4267	0	1602	2646	1328	1101	0	0	1592	0	2194	10325	5479	8768	3268	2040	1165	20913	25272	8779	5138	5983	4744	2637	2718	4557	5936	9281	0	6486	7424	9463	13047	13365	3715	1273	2512	0	2959	9610	0	4725	17414	Phytochemical	0.47058824	0.7058824	0.0
10	C17 H12 O8	345.0605	345.061	0.13461345	345.06055	13090	15158	10039	8813	22269	7142	3531	3150	26852	26382	20032	4690	33548	9143	3938	6542	5478	23734	24385	14020	21663	30381	11547	3449	1870	4987	3426	7729	0	2112	1801	2078	5726	2372	34643	1696	5606	6602	4541	8871	22714	9256	787	0	0	4926	12429	0	2347	0	13767	13600	9799	0	24722	23769	8744	6350	3059	7853	0	8173	38537	25176	8748	24881	8432	4971	10179	6879	15658	2325	1665	0	2909	1195	0	2657	14373	9834	11918	5885	1114	2137	30301	11212	10384	10713	12978	5792	0	5977	5578	28268	27310	0	11196	12037	21356	35598	27175	4497	4379	4206	0	5807	18258	0	2825	32754	Phytochemical	0.47058824	0.7058824	0.0
12	C17 H12 O8	345.0605	345.061	0.12685467	345.06055	30036	30344	25215	27531	42599	17880	10343	8079	46562	56738	42031	13170	64351	16448	13150	13540	9652	46059	49248	35319	41615	80178	22973	15326	4604	9346	8153	21050	4727	4568	5757	4584	14845	4668	82032	1713	14732	15046	12708	21888	44879	18000	1068	354	0	17527	23150	453	7379	5265	32766	33320	31602	0	49510	49655	22301	10947	6686	11892	0	23838	83861	48881	16967	58835	25876	9255	28010	20536	26109	5156	3391	1890	7520	7112	0	8646	26977	42401	22266	15963	4802	10207	53694	26416	27743	25475	24177	24315	11788	21318	20549	73004	54009	0	33039	30935	47771	59948	53468	13915	10008	7596	0	12059	39836	0	10301	67830	Phytochemical	0.47058824	0.7058824	0.0
16	C17 H12 O8	345.0605	345.06097	0.12526897	345.06055	52101	56457	51993	52292	89445	58962	17352	14951	98778	85868	58302	17345	153830	44326	35260	22595	23603	138685	128578	57913	65015	89028	51283	27561	21213	15406	19995	29629	17621	10526	11346	12423	33152	12343	99948	15246	31049	30032	19043	38927	45433	36921	2863	0	749	26423	38283	1810	16769	10652	57666	50139	74790	592	106197	79241	42739	30216	21964	20203	39041	32109	146721	95536	38377	110579	52862	21465	31367	29730	35047	12690	11590	2612	13527	10607	1012	19413	73635	68868	45692	31491	18151	20206	110924	49837	64847	46125	56390	43951	28025	42239	32516	98414	99538	921	46781	49874	78599	102497	104422	29925	17941	21283	24908	26454	70178	711	25237	151836	Phytochemical	0.47058824	0.7058824	0.0
18	C17 H12 O8	345.0605	345.06094	0.124746226	345.06055	41216	33415	42553	36578	74231	43676	13989	10379	74561	44329	27938	17527	134103	47191	27408	17662	11280	116234	106457	26733	34919	62207	31174	21538	17827	13265	11934	19316	10939	6227	8926	9328	24410	6955	49014	7722	24421	22880	13135	24124	21518	29708	2504	856	1277	25396	28739	2368	11665	11073	40639	37455	57600	1071	74208	62875	34859	22768	17875	15007	21052	25440	140486	70927	32720	97102	37357	9704	19569	11801	21868	8712	4715	2047	9098	6143	806	13688	58822	46265	42414	32102	7677	12290	82265	52122	48015	44959	44401	22870	18753	24456	28281	61327	70616	1223	40256	37823	57502	90768	74603	23420	13488	13918	18514	24952	49253	714	20035	117911	Phytochemical	0.47058824	0.7058824	0.0
26	C17 H12 O8	345.0605	345.06085	0.0901993	345.06052	7710	5099	6381	6169	12957	6654	2927	0	13439	6768	0	3420	23492	11112	0	0	0	25416	16648	0	0	8785	7609	0	0	0	2580	0	0	0	0	0	2505	0	4666	0	3485	4439	0	2618	5128	0	0	0	0	0	0	0	0	0	5709	4952	9252	0	14623	11090	4176	2653	0	0	0	0	24555	15050	5808	19131	4842	3157	0	0	3119	0	0	0	0	0	0	0	12569	8754	13616	0	2235	0	20737	7188	9782	5024	5895	5012	2315	2584	5664	9957	13592	0	5562	0	8094	16200	18798	0	0	0	0	3373	8474	0	3985	25655	Phytochemical	0.47058824	0.7058824	0.0
8	C17 H12 O8	345.0605	345.0611	0.122650445	345.06055	3655	3954	2515	5658	9006	2058	649	1207	11341	9379	5602	1563	13035	2544	1233	1448	0	8831	9551	6967	6892	10200	3477	1221	0	594	1259	1587	954	0	0	0	1222	1253	12177	0	1385	1551	2492	0	5423	2341	0	0	0	1773	6144	0	0	0	4068	3679	4851	0	10562	9632	4233	1929	1216	1578	0	2997	21384	11030	3125	12912	3468	1804	0	2271	6392	0	0	0	821	1029	0	0	6837	2815	3991	1547	0	0	12217	4181	3485	3054	3914	2748	0	0	1672	9677	6816	0	4953	4159	10147	16621	14650	1762	2196	1677	0	1599	9024	0	712	13537	Phytochemical	0.47058824	0.7058824	0.0
22	C17 H12 O8	345.0605	345.0609	0.077376485	345.06052	14486	13987	12387	9235	27085	12159	7429	2189	29490	4167	4152	3579	35026	14754	9117	4778	6382	43633	39800	5175	8739	20133	14519	7233	6572	1801	4735	2210	2071	2042	1851	0	4385	1753	12392	0	11023	9230	5237	4205	6196	7862	0	0	1004	4080	7124	2587	2997	2256	10768	13563	29885	819	33080	26886	12538	6641	2700	2824	2964	3537	43421	33873	14762	39552	14446	3010	2042	3965	5996	2683	0	0	2757	0	1231	3296	20394	16177	23796	8715	2271	1843	52628	31929	13881	15354	15584	6752	4458	5217	3708	28246	24007	0	15013	9601	23033	40059	34654	6639	6280	3854	4002	6275	18256	0	8033	55505	Phytochemical	0.47058824	0.7058824	0.0
14	C17 H12 O8	345.0605	345.06104	0.15192339	345.06055	56032	50122	47743	40879	81584	45891	18573	14618	87470	94478	69046	19030	118931	39935	25944	32824	16955	106573	97229	53741	68748	122848	32078	22154	16089	15203	19207	27773	9955	7703	11333	12877	30023	9496	115664	9931	27193	20481	21751	35292	51183	36270	0	0	337	30550	52104	653	15541	8754	45579	46087	62557	570	81180	72103	42071	34668	17014	19639	26738	34518	137112	88305	36478	102597	38836	19396	20692	21658	44768	7919	9641	4523	14343	10217	354	16415	58147	72780	44589	31771	12794	19827	89132	43803	53971	42928	45736	47018	27320	35068	37691	101848	94449	451	48344	42406	63168	98758	82873	25050	20231	21659	26324	22738	51007	0	17496	108860	Phytochemical	0.47058824	0.7058824	0.0
20	C17 H12 O8	345.0605	345.0609	0.12159474	345.06055	27046	26005	19977	18556	55341	34618	8183	6517	45634	21392	11314	9956	79344	37255	12037	9280	7641	70454	65021	11660	10969	39656	24749	11099	11809	5511	13045	10917	7318	4130	5849	6156	12552	3693	28737	4883	16653	16251	8277	14202	14483	18011	2940	953	1424	12257	18899	2454	5439	3790	24278	22658	36093	1085	54687	40108	20614	12792	6909	5704	13354	12494	82230	48765	23741	52082	21954	8954	8645	5484	8145	6395	3534	1554	5076	5945	1353	8383	35969	30235	26641	14020	7604	10968	66312	31013	34133	24475	24250	17426	8312	11873	14387	36675	30167	1400	24479	24626	32906	56311	53714	14810	8565	6121	11422	14139	32474	1359	17175	89250	Phytochemical	0.47058824	0.7058824	0.0
12	C14 H16 O8 S1	345.06387	345.0644	0.09461718	345.0639	3392	3891	4574	3415	9125	5043	0	0	8839	16307	14338	0	11897	2159	0	1680	0	7938	7802	4896	5109	19683	0	0	1114	1939	0	0	0	0	0	0	0	0	14950	0	0	1056	0	6860	12557	1952	0	0	0	0	3852	0	0	0	5279	3190	4647	0	5606	5555	1622	1866	0	0	0	7140	5434	9658	2843	6735	2749	0	0	4420	5045	0	0	0	0	0	0	0	0	0	1036	2426	2205	3766	6285	1656	2163	2308	5110	0	5777	9784	2839	20900	20653	0	5312	2797	5074	6897	5725	1705	0	0	0	1924	8887	0	0	8962	Organosulfur	0.5714286	1.1428572	0.0
14	C14 H16 O8 S1	345.06387	345.06442	0.09207657	345.0639	2433	3634	3647	4250	8019	4730	0	0	13195	18784	10249	0	20383	5027	0	0	0	15880	9198	5385	5251	12330	1536	0	0	1977	0	0	1851	0	0	0	0	0	18788	0	0	0	0	13500	8820	2781	0	0	0	0	0	0	0	0	5566	2266	5503	0	10655	6568	3437	1590	4826	0	0	11113	6549	9697	2511	6805	2370	1515	0	4073	6434	0	0	0	0	0	0	0	0	0	0	4137	2536	4317	6337	0	2305	5493	3178	0	5517	11335	3572	20315	17117	0	5489	4679	5939	7743	4863	0	0	4640	0	1838	6422	0	0	13486	Organosulfur	0.5714286	1.1428572	0.0
20	C16 H12 O7 N2	345.07172	345.07224	0.21178378	345.0718	3542	3482	2037	3364	5169	2424	1834	2076	1310	5610	1963	1198	7543	1582	1350	4161	4143	3887	5270	0	2589	11657	2792	5054	2065	0	0	2060	2639	0	1408	0	2345	0	5421	0	3927	0	4283	4135	13345	1620	473	0	0	2847	8047	0	0	0	0	3858	3470	0	3815	2543	1690	2587	1427	3622	0	4096	4809	2884	1993	2104	2887	4327	1248	2035	1809	1239	0	0	2126	0	0	2199	4107	10101	3201	4454	0	0	4063	2024	3117	5640	2335	7679	0	2994	3365	20603	10807	0	4039	2143	1919	3727	4273	2048	2065	2712	2647	2907	2231	0	1730	4148	Phytochemical	0.4375	0.75	0.125
14	C16 H12 O7 N2	345.07172	345.07227	0.20710053	345.0718	12737	9642	9024	15043	13216	4657	6142	4459	16512	17657	13129	4607	22466	5040	4641	6405	7168	17368	14111	9732	28457	32705	6537	5234	3574	4161	5236	0	3063	2641	3926	0	10726	3279	25921	2121	4640	7547	9750	23691	39809	7763	0	0	0	10948	15358	0	2720	1807	10627	11059	12684	0	16304	12775	6307	10078	0	10537	0	13668	24779	17049	6756	16220	12371	9421	0	11736	16450	5141	2092	1430	5677	2011	0	4211	11494	19114	7150	11421	3423	8594	19804	4828	11736	7248	8018	24181	5969	7147	15974	29364	34003	0	12861	13445	9407	18574	13897	6649	5525	7650	0	10320	7091	0	8353	24640	Phytochemical	0.4375	0.75	0.125
12	C16 H12 O7 N2	345.07172	345.07227	0.16910583	345.07178	7859	6578	4087	5949	10349	5691	0	3464	15176	13326	10832	3052	22161	5744	5399	5106	8310	15041	20027	10991	18829	29044	8410	4545	2331	5053	4458	0	3699	0	4550	2222	7002	2502	24685	2037	3746	4391	9753	19320	35959	7819	0	0	0	11712	16912	0	3145	1965	7867	8681	10186	0	19054	12134	6521	4141	0	8051	0	11995	30499	15708	5326	16682	7185	8321	0	15396	19706	2846	1532	0	3782	3923	0	4646	13805	0	8615	7485	2442	7054	17486	6090	10963	7458	8814	19728	3739	8161	14156	33425	23643	0	8420	8655	8855	16572	13886	5826	4021	4513	0	10101	10246	0	5929	29012	Phytochemical	0.4375	0.75	0.125
18	C16 H12 O7 N2	345.07172	345.07217	0.10794207	345.07178	4330	5036	8064	5967	5262	4448	4005	3587	5253	8424	8003	3908	6492	1913	2911	4331	4996	7788	7449	3821	6216	16748	2964	5672	2351	0	2844	0	0	3323	2417	2740	5610	0	10224	0	5859	3901	7900	9777	20303	5923	508	0	0	6395	9539	0	2822	3612	4417	5180	4241	0	7075	3833	1851	5078	2837	4910	2932	9319	7943	6515	4053	5956	4227	6893	2904	0	5364	2742	1276	0	2581	0	0	1700	10572	15969	4342	2865	1795	2006	5242	3458	6766	6944	7021	13508	4227	7429	6303	25997	22902	0	6963	3551	4764	7063	6567	6042	2480	3422	3265	10424	3692	0	4336	9505	Phytochemical	0.4375	0.75	0.125
10	C16 H12 O7 N2	345.07172	345.0723	0.20361377	345.0718	7618	7885	6665	4071	23242	4484	2576	3711	16013	10647	10479	2717	37920	1824	3065	6150	6079	11743	12159	8091	12288	23400	5806	4554	2428	1471	2479	0	1379	1629	3054	2492	6129	2150	23947	0	6571	4085	8946	12206	21573	6204	0	0	0	4680	13626	0	2490	0	7205	8261	9526	0	16912	19880	4913	4055	0	4030	0	7239	21777	15062	5700	19867	5039	7291	15583	5740	15409	0	1606	0	4001	1659	0	1969	7647	11437	6621	4208	2021	1699	13962	3771	6264	8427	7010	14419	0	2946	7842	18113	17088	0	7887	7099	7902	14355	25476	6323	3851	3600	0	3118	6053	0	3223	21587	Phytochemical	0.4375	0.75	0.125
16	C16 H12 O7 N2	345.07172	345.0722	0.15644991	345.07178	8746	12020	7780	9211	9077	6587	4696	4559	10425	12749	6575	4850	13772	3899	5952	7753	6794	13924	11323	5892	12716	31077	5760	8422	3117	0	6410	2746	2661	3632	5694	0	5813	1734	15800	2567	6319	5172	10050	17584	28646	8998	488	0	0	9247	15329	490	6332	1935	10148	7163	10399	0	9770	7322	4836	5524	3676	5867	0	10223	16693	10148	5127	11872	8757	11010	12804	6352	7560	2996	2525	1307	2126	2784	0	3178	12403	24583	5940	7464	3320	6665	13861	3748	12707	9733	7661	0	10551	9706	0	33140	23238	0	5680	8996	5961	9895	10813	6407	4093	5110	5695	0	5837	0	6873	20053	Phytochemical	0.4375	0.75	0.125
6	C14 H16 O10	345.08163	345.08224	0.19036795	345.0817	6638	8574	5945	7488	19039	7178	1150	1890	21548	4388	5346	3689	47601	6621	3202	1683	4524	21385	25012	3137	8319	4124	3436	2319	0	0	1398	0	0	2069	1851	2272	3279	1431	5434	1472	3635	2887	6344	0	3550	8349	0	0	0	0	0	0	3019	1622	6822	6111	14094	0	25211	29962	9197	0	2139	2603	2480	0	41795	26348	7974	27744	8620	4817	2077	0	0	1538	2129	1238	1844	1408	0	2695	4592	0	4600	986	895	0	28861	10165	4647	12171	9569	2923	0	2200	2745	5201	5153	0	7049	9026	15009	38968	43173	5845	1774	2006	0	2253	21209	0	1319	51277	Phytochemical	0.71428573	1.1428572	0.0
8	C14 H16 O10	345.08163	345.08218	0.0849369	345.08167	21658	19682	16258	21143	46477	22408	3906	3834	58305	20405	22471	7245	109645	14341	7033	8272	10553	56431	53550	14524	22798	17910	12246	3119	1101	0	4783	3830	4909	3797	3951	4818	12292	4782	22911	5085	11588	8297	9454	6634	16953	22155	0	0	0	5140	6864	0	4640	5668	17178	20643	31935	0	73735	68711	23538	5270	5540	9242	4697	8061	112477	79552	19158	59515	21402	11615	0	0	3654	4743	5124	2639	7434	5581	0	8097	10077	7903	8028	2831	2178	1230	57391	18555	11370	23327	23652	5776	0	0	4634	23005	14524	0	18051	22369	44358	87876	77133	16100	6528	6735	0	5962	54106	0	2735	105453	Phytochemical	0.71428573	1.1428572	0.0
6	C13 H16 O9 N2	345.09286	345.0935	0.15879613	345.09293	2734	4760	4712	4364	8668	6042	2770	4134	12884	2656	3686	5116	19454	2852	2622	6424	0	14920	18432	0	3984	4885	4876	6076	466	0	1194	0	2564	3056	3340	3542	6494	3906	1544	3734	10152	4918	0	0	1361	8972	0	0	0	0	0	0	0	5010	4960	4262	8588	0	12808	9834	4354	4460	3630	0	5968	0	22012	15128	4586	10100	8164	8474	0	0	0	3126	6232	3594	9442	5976	0	2312	3362	0	4268	0	753	0	8362	5120	1791	11954	9954	14787	0	3612	10306	1776	0	0	6096	3842	5942	10042	7600	8604	4862	0	0	4370	4736	0	3134	29784	Unclassified	0.6923077	1.2307693	0.15384616
12	C18 H16 O7	345.0969	345.0974	0.120575815	345.09692	153201	177248	157388	163108	121907	82007	87368	98889	142018	323348	229754	79414	142840	67699	85291	132703	86142	158736	182940	280097	287592	230220	104410	108771	60631	269919	90011	147144	80644	82380	93679	94600	107664	82933	379912	81488	100471	93206	100244	206670	271611	79267	5545	1296	1881	158163	210244	1979	106743	87744	167837	166903	101711	1610	154711	110319	75593	120495	87937	133971	134613	156903	199777	132011	65657	150547	87750	110858	360914	365159	962186	85578	89972	68855	82920	95242	1267	72901	140394	128681	130153	132741	78496	129397	141681	77077	133977	80490	89615	153158	111586	127131	132768	180675	226074	3173	161874	163857	143515	131551	120554	108510	77579	106768	117576	104241	103600	1630	77774	183971	Phytochemical	0.3888889	0.8888889	0.0
6	C18 H16 O7	345.0969	345.09747	0.07038394	345.0969	13720	15395	12959	10689	8968	5249	6169	7468	12683	20915	17099	7893	12252	6080	7710	9637	9833	13005	13979	15061	23011	14309	10664	12349	4524	11867	6741	7772	8142	11490	8565	7359	8564	6906	20030	8889	7068	8157	11243	11188	19282	6476	1215	522	1145	10912	15470	1160	7937	9048	10696	13342	8937	919	13340	10970	9001	12418	6258	11261	13454	7490	15157	10346	5378	11936	8387	10520	21446	16335	31471	8074	8510	6860	6341	8543	1000	5038	10828	6639	10228	8133	6875	5585	13140	8181	9465	6643	9054	14355	4121	8067	8984	10513	10754	1399	11841	11663	11022	13773	11135	9776	8308	8488	7040	7046	7912	661	8473	13149	Phytochemical	0.3888889	0.8888889	0.0
22	C18 H16 O7	345.0969	345.0973	0.09355148	345.09692	55438	56666	50539	52015	87730	52565	15469	21906	81993	105978	61953	18359	102828	48684	32030	28125	14621	99164	84602	81947	88610	96660	42314	34556	29839	96853	19624	53248	21319	18605	17043	16427	33907	21768	121407	16759	31927	28214	21291	61403	66956	23780	4585	0	3793	58447	69077	4121	18615	21926	57665	48870	56223	3633	90700	77852	36720	35802	23561	18828	27076	53218	124954	73018	27887	84199	38607	21994	94747	123956	131630	18929	12585	13814	8640	21819	3055	22600	60116	68634	54189	43035	18914	48301	100738	45958	46220	30766	41402	30169	43667	50474	42550	84154	107071	4003	45289	49656	62623	87750	77598	34840	23072	31432	46675	27680	63605	3269	25054	122868	Phytochemical	0.3888889	0.8888889	0.0
20	C18 H16 O7	345.0969	345.09732	0.11329712	345.09692	119642	142481	129385	110346	177191	128269	51696	68048	164046	286577	162350	47984	254727	110274	80687	88809	44635	226546	224877	234517	222214	193046	94322	93468	62471	242793	48765	140689	68304	53489	53227	57750	95068	54611	326934	47672	101089	59314	56406	190801	143537	76990	9868	3745	3473	130365	142330	5959	63954	45901	135013	142377	123517	4000	184060	152132	85327	83324	71580	49910	77110	128459	249414	152389	72156	199224	106844	50979	223000	297573	331388	55727	41092	35987	37100	48011	3215	53063	128243	155776	101265	98493	61682	143351	188203	112110	117094	98881	86942	81354	125008	111592	110085	179153	216112	6834	132994	128066	147200	162587	176210	90112	52147	85742	102375	83087	133652	5070	70846	253673	Phytochemical	0.3888889	0.8888889	0.0
26	C18 H16 O7	345.0969	345.0973	0.06808029	345.0969	15480	14234	13980	17040	24224	15232	3357	6751	26916	33399	16482	6653	39376	15613	10952	10498	0	32822	29989	25146	30189	34773	11779	9681	5640	20730	3406	9334	7961	0	3787	4442	8082	3700	40311	0	7647	6768	6336	17402	24805	6510	0	0	0	11092	19207	0	7013	6516	12687	17977	16824	0	27270	20087	11386	9080	5919	8458	9795	10434	40030	26111	8960	30448	12036	8475	32166	39754	44310	5695	2834	0	0	5633	0	4339	18169	22670	14711	13662	4596	9874	33192	12631	13467	10900	9896	9283	11124	9090	9068	26205	49685	0	17277	17168	14969	31139	28448	13269	7049	9955	11714	9291	19280	0	6285	41560	Phytochemical	0.3888889	0.8888889	0.0
8	C18 H16 O7	345.0969	345.09744	0.0779439	345.0969	33193	41452	26918	36762	26412	19463	20114	28411	37812	63720	47261	24675	39731	16190	19333	36005	28285	28752	47086	53326	67178	47069	27422	36781	11777	42960	19281	28923	21670	20236	20895	24996	25674	20746	83899	22623	25764	24916	36443	40021	62341	19582	1570	759	1402	30915	50780	1463	27355	28280	37882	37487	23078	1149	35157	28681	19204	31180	23309	32962	32748	25623	47416	32880	18209	30000	20401	37013	74385	64715	109819	25340	21984	20444	21021	26203	1167	18556	38684	27613	32818	28974	21387	25162	31846	19663	33162	20512	22294	42496	17200	24952	34365	35794	39473	1530	36626	36342	34633	36163	30372	28626	22844	28999	18731	25529	29282	807	21715	33282	Phytochemical	0.3888889	0.8888889	0.0
10	C18 H16 O7	345.0969	345.0974	0.09201208	345.09692	96546	91697	72723	73775	57846	42467	37616	55209	82367	176905	118329	51577	78676	41078	47888	69458	52036	69451	89089	140714	150390	111432	59268	69515	36060	155970	47073	68620	44725	46199	45208	53248	68422	47975	196005	43754	62791	47394	57164	103203	129327	38401	3615	1351	1883	77853	94220	2179	58344	46968	85648	88523	55188	1462	86910	63063	37759	79279	53164	61410	66967	71012	88474	71670	36613	71251	44060	70986	175437	174291	240509	50712	46132	41540	47438	55588	1622	38046	85035	62535	75635	68070	42855	59453	83286	42008	69811	40647	48028	75100	42928	59170	77676	88151	115372	3480	75647	86195	70975	80113	72737	60877	49100	69078	54713	55594	66467	1345	44793	89136	Phytochemical	0.3888889	0.8888889	0.0
28	C18 H16 O7	345.0969	345.0973	0.06063241	345.0969	12616	12597	10933	10290	13178	9025	6046	4387	15255	21974	9779	5590	24706	11175	6117	7676	7588	22394	19374	17950	18195	18991	8901	8969	7308	12985	5709	11043	5222	4031	4224	4514	7890	3844	24970	4292	6041	5305	5510	12539	14962	6398	2742	1301	0	10244	13095	3906	6623	4301	11556	11763	10972	0	15424	17831	5658	7452	4425	5062	7342	9211	22740	14334	6055	18652	8761	6964	22216	21262	27338	4454	4366	4512	4423	5252	0	5027	13625	18372	11115	8627	4388	9473	19395	9106	12043	10534	10078	6412	9179	10604	9065	17662	24138	1747	11771	14379	12986	17427	19150	9908	5461	7410	11547	6181	10056	1391	8320	21801	Phytochemical	0.3888889	0.8888889	0.0
16	C18 H16 O7	345.0969	345.09735	0.12198122	345.09692	275477	301982	276812	284422	293612	205291	117964	145259	314201	666445	453393	114689	413255	172937	161225	184311	115455	397440	399908	579477	555410	424629	191645	180464	137416	609752	105476	291447	120515	115629	129040	141507	173429	110279	852016	117853	190031	125829	124551	396534	373011	142997	9729	2679	3387	258562	310910	4194	150253	122469	274649	263598	233776	3179	303510	243214	160300	190727	143743	126530	192622	276507	410504	259988	131427	350137	196450	117961	541845	753346	741554	134946	121085	95223	99106	127211	3917	113688	240903	309389	190082	230204	133755	278652	301300	183620	231879	165717	187279	210001	231199	265343	243968	363813	480099	5276	281077	277021	257021	271825	262537	174963	107348	172616	173796	185760	221780	3720	144342	383933	Phytochemical	0.3888889	0.8888889	0.0
24	C18 H16 O7	345.0969	345.09726	0.082774654	345.0969	28397	30903	22506	24045	42313	22993	7348	10351	41226	48388	22881	12280	66483	22881	17391	16641	11595	47464	48377	37242	40752	54100	20134	20774	12049	42930	5078	16693	7756	5733	6887	7627	13936	5452	57612	6588	12716	11214	13745	29062	29779	9284	3268	0	0	26606	27204	3034	7226	8879	28370	27058	28950	0	42975	35229	17732	14371	10960	7426	16137	21553	59055	34076	13278	48741	19043	12261	48882	65280	70617	6547	4041	4468	6057	8115	0	9551	32589	40884	28689	22217	8127	19335	56815	16595	27489	15040	21496	13458	17103	17251	15104	45956	68043	4209	24514	25454	31573	44084	47148	8731	11015	13743	14549	13175	31091	0	15194	61977	Phytochemical	0.3888889	0.8888889	0.0
6	C21 H16 O1 N2 S1	345.10562	345.10645	0.37961954	345.10574	0	1222	0	0	0	0	635	1246	0	0	0	0	0	0	650	0	1515	0	0	0	0	0	521	954	579	0	1004	0	1026	583	933	1084	1561	0	0	2172	1181	0	1658	0	825	0	0	0	0	0	0	0	0	1540	0	913	0	0	594	0	0	0	1893	865	0	0	0	0	0	0	624	2852	0	0	0	1008	1416	1923	37133	1951	0	943	0	0	720	0	621	0	0	0	1732	0	0	0	0	0	1946	860	0	0	1280	778	0	0	0	0	680	0	0	0	0	0	0	0	Organosulfur	0.04761905	0.7619048	0.0952381
6	C17 H16 O6 N2	345.10812	345.10873	0.12101972	345.10815	27906	28566	24767	27765	23323	11804	9938	17659	30345	63999	46278	12499	34926	9855	12192	19300	19098	27395	30797	46921	76493	45013	16316	22185	10098	34407	11131	27775	11159	13696	14673	12694	22109	12225	73257	11765	19450	12005	24810	40097	79929	13362	0	0	0	36491	68178	0	17252	14850	23251	28971	17017	0	30858	21549	12082	19510	10634	18590	21884	38161	38215	24439	11160	28206	17081	26644	64346	69585	122630	10031	12033	10212	6715	12346	0	8801	18499	26101	16628	24213	8740	22228	27624	16807	21768	15476	14769	36200	16051	21510	35609	46592	55533	0	29988	27477	17211	27782	28800	21020	11774	20279	29168	20305	20898	0	12622	40223	Phytochemical	0.3529412	0.9411765	0.11764706
14	C17 H16 O6 N2	345.10812	345.1086	0.108563	345.10815	80060	72947	75134	68696	66323	47869	51557	44849	52347	136356	90122	35631	68740	31242	40791	67203	65186	61737	72291	91258	136608	140000	52261	75690	57688	110794	44357	68291	40606	34664	37213	42417	78267	37459	142162	37962	61876	38825	86040	132558	181485	48829	0	0	0	77760	110198	514	47462	33863	71595	76820	52113	295	63669	41005	29274	74108	40581	53083	55903	92336	75731	55293	33469	61955	46648	77311	125281	160853	194109	32271	27252	20708	35414	31012	0	31384	81298	127362	59073	69640	44398	78371	56795	33646	78459	63349	42262	130117	87075	93037	122262	123328	136564	548	70758	72054	34204	57028	54191	65077	28721	60427	67362	58374	38203	0	63649	69753	Phytochemical	0.3529412	0.9411765	0.11764706
18	C17 H16 O6 N2	345.10812	345.10855	0.09967998	345.10815	40028	34196	39959	41224	33847	44629	30097	23441	24667	54037	35677	20006	39407	25309	23681	41972	37028	46193	41939	31195	36592	62983	29441	40630	23783	35524	23716	32665	18591	20683	25129	18683	43861	28453	47834	14982	42989	18885	51169	56391	74147	24220	1094	456	293	36413	49270	678	34688	22959	34271	30829	31590	433	24046	18812	17370	41279	15522	27540	32212	37559	34212	22809	17216	39288	26352	54725	41675	59177	73497	28257	16457	9906	23195	14473	345	20155	44083	53099	35154	32900	17347	33018	29809	21480	48462	46088	26861	66620	28969	36614	55837	61885	60328	677	37390	33008	16160	30019	21624	42046	20467	25109	21273	42869	19652	420	39099	38973	Phytochemical	0.3529412	0.9411765	0.11764706
20	C17 H16 O6 N2	345.10812	345.10855	0.0881534	345.10815	18856	16451	24303	16077	32999	25767	16133	8156	17462	18086	11575	9476	22478	25742	12336	13762	20410	22144	17563	8351	21419	24998	14507	25861	15104	10451	16692	12249	6214	6093	11815	7611	29142	18072	18898	4123	24313	9728	22299	23392	42406	11795	980	0	0	17257	19628	1090	15137	7835	19590	17815	25825	374	14350	21055	11761	18312	6122	13323	15699	15796	18344	14850	12004	26617	21239	24007	12353	16484	24434	11262	8740	2718	9229	3616	412	8669	27468	26306	18433	15787	8254	10341	29544	14181	22647	31984	18021	35557	20841	17680	33161	31636	34514	576	16892	16788	15280	25060	37830	22489	7926	16246	10618	22817	20909	0	15099	25216	Phytochemical	0.3529412	0.9411765	0.11764706
12	C17 H16 O6 N2	345.10812	345.10864	0.10951389	345.10815	77364	68656	80978	67833	78401	43243	46142	42335	63558	127333	90368	35945	69528	37862	37690	60998	78032	70419	94174	131379	159948	166185	53611	71117	48304	113217	41379	92391	40529	33506	45998	39933	73308	36523	177745	31834	59646	43852	87646	131817	203344	36168	959	0	271	102935	151938	0	46615	38904	78753	76965	59547	321	70656	47236	31298	59897	39462	80288	50497	97518	96937	53882	27001	84979	46365	95174	144107	182634	257246	32680	30225	21728	40299	31263	0	35381	70039	99360	55287	74429	46254	78353	64162	39410	79838	46585	45626	146546	64712	91477	104534	132977	123491	0	72314	77728	52204	61019	60225	62866	30837	49496	60613	76112	43876	0	56911	92326	Phytochemical	0.3529412	0.9411765	0.11764706
4	C17 H16 O6 N2	345.10812	345.10876	0.10789869	345.10815	6036	7379	5040	5203	6822	3040	1890	3845	7552	10085	9336	3340	9242	4218	3603	5793	4377	7795	9089	9191	14989	11284	6176	6274	2248	10512	2129	4883	2188	2333	3202	2217	6101	2206	16459	2274	4246	3657	6113	9512	18147	4448	0	0	0	7354	15577	0	4633	2811	6072	4513	5350	0	9865	8404	3513	5842	3069	6555	5375	6799	10794	8164	3168	6521	3319	7460	17466	12392	23679	2886	2061	2757	0	2164	0	3046	5735	6998	4293	5838	3168	4235	9424	4571	5249	4390	3540	8796	3376	5367	10296	9536	11439	0	4885	6280	6499	10939	10710	3987	3331	5073	8009	5046	6327	0	3450	10713	Phytochemical	0.3529412	0.9411765	0.11764706
8	C14 H20 O6 N2 S1	345.11148	345.11203	0.04666541	345.1115	7325	9580	7512	7096	5428	5799	6454	7869	5721	4251	3065	4628	7228	2988	8219	9461	11830	8882	12128	5338	3300	13321	8271	12871	8697	0	5932	0	7393	5298	5444	7038	11491	5092	9580	5719	9922	7064	12783	5575	6670	3660	0	0	0	5953	6915	0	5901	6311	9710	6301	6456	0	5813	3455	5795	8335	5709	6994	11056	3782	4644	5003	2483	6260	4994	11724	0	2164	0	5177	4991	5898	3872	4343	0	4404	9223	5106	6066	5812	3866	1713	4304	4065	12824	5735	6758	20831	10578	17115	25221	5242	5178	0	8785	6490	4692	4170	3832	6868	5949	8892	0	11181	4574	0	7487	8100	Peptide	0.42857143	1.4285715	0.14285715
6	C14 H20 O6 N2 S1	345.11148	345.11206	0.08907287	345.1115	7105	8952	8304	7353	5989	5663	3718	9317	5798	6343	2495	5438	7279	1908	7945	13892	11361	9358	11203	5226	5646	17012	7181	10951	5538	0	4816	0	7392	5139	8063	9048	11223	5808	7941	7615	12096	7077	12109	5575	6115	5296	0	0	0	8949	7630	0	8922	9340	9585	9186	8027	0	8047	3137	4070	11272	7100	6887	9801	2184	5473	5253	3044	8532	5414	16343	0	0	0	6016	7016	6141	5411	5632	0	5388	6610	0	5106	4055	4663	0	4440	4633	7911	7634	7217	21780	8089	20246	23301	4177	6030	0	8523	8845	3473	3532	4379	10632	5395	10391	0	13093	4261	0	5440	8725	Peptide	0.42857143	1.4285715	0.14285715
8	C15 H20 O9	345.118	345.1185	-0.004803899	345.118	43751	42402	67090	82302	36234	33580	24673	40018	132826	84942	40425	29260	85738	17073	34222	38481	69398	69111	145282	84538	43738	83938	79640	39268	14515	6071	42342	19230	36696	36574	62054	70288	45189	60774	96312	79562	44329	30603	37707	26534	66736	38107	669	0	301	30634	29455	0	81236	64180	43569	97402	39134	0	215520	109262	31362	30590	38806	29402	40781	26512	78897	79154	26523	59739	71212	70836	15391	11835	18593	36580	37424	36362	28610	57228	0	28754	64152	20967	62924	17129	21379	12629	53330	28307	65354	57252	39289	53448	16241	34864	71886	33956	29937	0	74854	90576	42350	55495	58473	97044	27527	49010	0	68630	55676	0	30504	173944	Lipid	0.6	1.3333334	0.0
16	C15 H20 O9	345.118	345.1185	0.13154614	345.11804	56688	51787	65061	66047	72903	76209	31331	46502	136354	66040	33953	28759	190991	37354	56310	39330	19072	165302	127905	73227	73587	55873	47113	39586	28038	7861	21639	26221	46329	37811	47190	45672	86439	48580	88856	48082	80008	41271	21441	66607	28825	47452	1977	668	610	32354	18850	700	51017	39039	59966	59799	70066	641	227903	87141	40095	46450	65138	19958	45337	48521	137639	150339	30485	103673	68534	22964	30496	43658	24567	46182	53230	47883	23944	40379	0	40170	35629	31353	29089	19243	30830	14861	66410	48822	28914	42459	56520	0	33520	58880	40548	40178	42152	801	68436	63701	45589	53352	62611	71520	29565	38713	21720	44964	66308	0	26350	185541	Lipid	0.6	1.3333334	0.0
6	C15 H20 O9	345.118	345.1186	0.06115243	345.11804	28606	32450	24586	63448	52384	22994	17712	80584	100824	31062	21398	22164	112556	14016	27140	39108	75412	98420	57050	20454	51516	23048	72464	30738	9770	0	17750	15432	60172	27362	25154	61240	78848	26640	59748	61604	65372	22726	34642	12280	49916	25728	0	0	0	21540	25246	0	31426	59564	67296	58192	63572	0	75510	47674	51572	69440	26340	58264	67204	11876	48812	51032	36456	35218	51864	68752	0	4109	4605	28400	57644	52176	14812	21456	0	32724	55300	13416	24154	11378	25304	3087	45722	29866	48204	50892	33932	44049	0	22090	60848	22800	19230	0	68220	79568	50944	81532	56468	78640	22342	34868	19892	28620	89908	0	11760	127796	Lipid	0.6	1.3333334	0.0
6	C14 H20 O8 N2	345.12924	345.12985	0.16194744	345.1293	27829	50601	49677	50996	42072	52167	73823	34553	32914	10555	13349	40384	33443	63242	41063	65297	62429	87012	85023	14638	22447	30559	45250	88231	45279	0	64256	6893	43494	22977	67201	31412	108464	26938	21187	30787	87102	37342	106182	8231	13126	27948	0	0	0	15830	18542	0	79932	26911	48235	45328	68677	0	44608	20233	18307	82517	24702	24854	62870	9553	40504	36100	17123	99316	63405	137795	0	0	0	29193	30472	26850	25409	24923	0	27821	38635	7252	41660	9143	11710	3185	23381	33569	49363	93389	67230	100595	19199	32464	108520	15053	10368	0	50351	28065	15263	18099	20251	123453	36229	29601	17408	110341	23893	0	56967	54217	Peptide	0.5714286	1.4285715	0.14285715
4	C14 H20 O8 N2	345.12924	345.12988	0.07377757	345.12927	13210	14278	11930	13047	10552	8852	4243	13550	15961	3836	5479	8656	18819	5994	8071	12731	17284	16734	19548	6709	8125	16167	12414	13425	5383	0	3880	0	11734	9953	10485	11705	17538	12608	6762	11848	17446	8130	23361	5561	6912	11633	0	0	0	7249	7348	0	11942	12842	12921	11006	12102	0	19088	12272	8009	14326	9305	10619	14731	3602	20929	16573	10868	13922	11211	21606	0	0	0	11605	11517	11520	4922	9001	0	7283	8041	0	5918	3675	5458	1812	14862	9781	7257	15652	13650	21336	6475	9120	24726	3462	3502	0	9805	14097	11061	14073	12067	16414	7987	14388	4392	17002	10398	0	6601	32725	Peptide	0.5714286	1.4285715	0.14285715
2	C14 H20 O8 N2	345.12924	345.1299	0.10763046	345.12927	12430	12910	11684	14204	14955	20425	3657	18341	14001	4619	4149	10401	30196	6213	7704	1720	9723	27650	23994	5147	10881	19206	9937	13795	2946	0	0	2771	17840	8504	18204	15833	29986	15478	8823	13513	21834	5971	9922	5538	4013	17396	0	0	0	6119	2753	0	19995	9764	13370	11741	17554	0	18832	8272	6941	18563	5009	5276	3461	1815	37858	23786	6014	26747	20043	14572	0	1312	0	15572	16228	12850	743	12493	0	8718	6716	0	5294	1493	2321	862	9185	7014	7040	19437	22286	14983	9286	11707	31342	5265	725	0	15105	12750	7910	11236	8243	13234	9009	9044	2422	24086	6098	0	4699	44132	Peptide	0.5714286	1.4285715	0.14285715
22	C19 H20 O6	345.13327	345.13367	0.1000448	345.1333	309585	305689	270534	288878	297912	256392	122468	215590	308475	616738	364441	127574	377978	229960	191218	234602	148974	432965	348529	635588	600301	364777	221040	263304	190445	767735	112106	356820	191475	169474	179316	182206	228029	196617	645854	174326	264088	165095	146147	439386	394255	179145	28093	9908	13470	293432	280355	14865	197987	179633	293649	285449	256364	12077	332355	289989	176223	237998	164956	137065	220557	320521	410865	276710	144984	347109	228008	149542	678203	966263	948311	184782	155469	136117	108031	172092	10507	151638	270717	226645	229257	204995	143540	303402	336285	203763	270847	198832	203408	240003	254128	284731	293625	267920	376826	19140	278889	294242	246725	330175	306919	213021	142873	237352	187905	216671	232034	11934	168454	414157	Phytochemical	0.31578946	1.0526316	0.0
6	C19 H20 O6	345.13327	345.13385	0.008733381	345.13327	24011	24140	17873	21866	11737	9332	18779	25710	18376	26465	20518	18699	14899	12204	20201	23985	22865	14300	19335	27245	57186	28159	21476	26437	15139	24130	17495	19414	22373	25910	20020	23252	24834	16696	62348	22674	15836	18634	26746	19411	56600	14799	5648	2802	5438	26751	35615	4335	24716	25864	23093	23114	12623	4091	20202	19688	13981	22162	19973	24421	31120	19051	13594	11830	11328	13106	11660	30585	31250	31251	41843	19209	21095	23624	14629	28389	4024	16415	23532	9436	20379	22253	23043	16861	18189	13883	20745	12922	15821	30248	17755	24823	27185	16870	25312	5361	24295	26431	15363	17830	20727	22327	20362	29087	22373	18350	13642	3574	17572	14100	Phytochemical	0.31578946	1.0526316	0.0
16	C19 H20 O6	345.13327	345.13373	0.09632399	345.1333	817931	923431	821678	829913	724666	526161	518295	749082	726529	1481604	971876	526951	847937	443853	595833	780587	589208	852351	930167	1661142	1619569	885381	715381	864715	553737	2303000	477412	772016	597969	632495	656364	710887	830971	580435	1561147	629685	752550	560060	683591	1179427	1193874	485669	27005	10481	10740	738934	816749	12037	796096	702367	893433	864474	617492	11693	745737	599513	450695	841391	580269	592742	782868	782974	869546	645547	360630	787974	567503	611558	1771705	2633536	2765089	705098	698242	607091	577165	714527	10217	471621	877009	614614	675124	643734	600112	939416	805151	468195	756607	561399	578047	902865	692512	743915	929290	641973	884172	17401	854320	850187	621273	686970	704292	724407	473490	725313	424183	728967	639089	9391	612915	889824	Phytochemical	0.31578946	1.0526316	0.0
12	C19 H20 O6	345.13327	345.13376	0.05351865	345.13327	371842	432785	365723	396084	211117	153848	281157	385268	250370	441082	337927	239333	203536	120627	252879	431113	319196	241719	327403	541760	522279	459081	299344	441948	217405	1394556	282838	304236	310697	318863	318751	349004	334073	286275	494320	297771	323853	272003	360649	422196	532139	188349	13016	6498	7297	366755	430175	8984	410174	369057	381403	393182	213261	6638	272056	199603	166948	411315	285135	359324	451788	272843	300199	214758	130036	250176	199388	362217	664917	1560632	1816470	306760	307622	321360	324889	369685	5222	245546	357085	233234	354614	303363	289760	288115	263637	163377	348729	177787	206938	452847	302977	312596	394381	244101	344282	11549	396805	388060	239487	236356	231713	332044	241233	401018	270693	322845	208601	5515	294178	262297	Phytochemical	0.31578946	1.0526316	0.0
24	C19 H20 O6	345.13327	345.13367	0.083874315	345.1333	112434	121116	95444	111349	127813	82323	39035	68341	112462	182243	122750	49894	192263	76397	66549	81193	59284	142252	148945	204517	200854	130473	82608	91349	53733	245604	36216	109234	63960	64033	58342	66539	79589	62195	197413	62326	86975	50707	62751	146954	137095	58680	18842	8168	18660	99152	106165	10701	71778	58610	104177	101230	97441	16835	117693	115041	62506	81277	55699	47308	86870	104499	164834	106179	49499	147582	77452	56211	224468	294696	317884	69173	57739	53514	45718	65800	17203	51614	104954	79476	85997	68544	51132	99161	137362	66811	99948	66782	78015	71285	87010	80009	98576	94036	129170	13853	107462	106459	85631	135328	142265	78097	51634	84602	69403	80392	86855	10685	57650	158946	Phytochemical	0.31578946	1.0526316	0.0
14	C19 H20 O6	345.13327	345.13376	0.062436633	345.1333	673560	689247	609193	646449	490913	338859	439762	594071	511083	881615	664760	440987	516575	305262	446821	664171	511629	523231	584126	1058617	1139579	712499	502199	681259	441716	1596136	410104	617591	479767	521029	503609	621632	623526	451204	1004749	522866	522019	439206	570359	804291	897396	362340	24302	6888	6862	568676	615071	8886	598551	530439	655739	601517	410538	7695	532704	406562	350016	678732	521034	547468	649643	492313	594179	453470	276790	484808	355398	579058	1267941	1717642	4080046	528114	507708	494729	467985	544663	6726	419152	636167	473903	617818	501991	492502	640629	535025	334900	603220	370422	427879	724980	497875	486027	749179	464850	562394	11825	627265	588583	444638	504195	472004	508587	431108	634685	455155	539163	402596	7061	520001	497076	Phytochemical	0.31578946	1.0526316	0.0
20	C19 H20 O6	345.13327	345.1337	0.10255997	345.1333	638000	687299	624690	550957	643587	500711	286148	451796	630260	1398496	801837	281756	836905	471008	440302	478326	313007	787787	801565	1415401	1411875	750569	455378	542879	377540	1707833	284741	771288	447144	386472	374291	421422	514402	438013	1450517	363553	584681	323196	316317	1021448	849995	383453	30957	15267	10200	643958	540408	18011	450613	374179	634850	679766	523643	12993	632980	557471	355091	505951	428761	294320	486208	643417	766552	547790	304384	729174	469508	327094	1469591	2109711	2147499	455350	408942	330879	294940	389758	10524	344006	553898	498091	427872	377825	359044	676516	602564	401936	512934	439842	441852	451622	642113	587260	688524	572872	710470	23650	651480	656380	497868	595933	593654	489498	320798	547567	391841	452947	475252	16502	359245	829766	Phytochemical	0.31578946	1.0526316	0.0
26	C16 H24 O6 S1	345.13663	345.13672	-0.05965534	345.13663	4824	6715	5619	5316	2716	4537	7695	0	3950	0	0	0	0	2682	0	0	0	0	23791	0	0	1686	0	0	0	0	3844	0	0	0	5979	11743	22589	3417	0	0	18745	0	25143	0	0	19858	0	0	0	0	0	0	7185	0	5839	6974	13334	0	0	0	13683	8914	0	0	0	0	0	3293	0	0	5770	32776	0	0	1701	0	0	0	0	5087	0	0	0	0	0	0	0	0	0	0	0	3720	16958	4399	8548	4150	5023	0	0	0	5738	0	4248	0	0	17809	4203	0	0	4047	0	0	0	2257	Organosulfur	0.375	1.5	0.0
16	C18 H20 O5 N2	345.1445	345.14493	0.017147016	345.1445	65357	76937	69180	77383	49032	43756	56141	61842	39682	100225	63391	51158	47534	31634	61152	84544	66350	56817	57420	92763	91726	92197	61607	107645	60216	93481	49523	69581	51256	58039	62884	64153	93373	62839	110435	59197	99191	42301	90278	108483	122118	42510	1190	0	0	71429	78710	435	74296	60451	75418	68497	52741	465	32879	33494	31232	99270	54475	51475	70930	67298	35091	31209	27958	45693	49154	82267	90830	137157	140235	59832	55691	40133	64301	50932	264	34816	80655	90003	61550	56901	52707	78903	40639	37394	73671	57411	49377	120254	100186	93587	178236	77298	109696	614	71238	61398	27771	28165	34276	73596	37140	63909	40557	102871	32984	373	76441	46353	Phytochemical	0.2777778	1.1111112	0.11111111
4	C18 H20 O5 N2	345.1445	345.14514	0.045843158	345.1445	42737	45329	39340	38096	15558	18734	16652	44808	18395	63029	49449	31209	27159	15595	26639	48013	55339	22137	29032	71600	82330	52031	29848	40889	21899	72257	22584	104471	38716	38745	45564	43319	38055	34652	77730	44915	35201	24124	63080	52878	69895	25449	0	0	0	40694	62785	0	49999	38113	40758	36617	17804	0	23265	15916	12306	43477	12306	26367	48259	34178	22896	16430	12099	20758	20031	57392	68664	89650	110609	38836	36815	37042	30596	36672	0	26391	31927	591364	25980	24939	17765	30563	20488	15794	33264	22845	21231	45729	622080	213566	44474	80804	71055	508	40297	44880	16562	18148	16040	40922	23994	49483	27734	32489	12609	0	26949	19458	Phytochemical	0.2777778	1.1111112	0.11111111
2	C18 H20 O5 N2	345.1445	345.14514	0.034314867	345.1445	14165	15463	11891	11661	7857	0	11751	14004	9290	16870	16123	11866	15646	6990	12491	6001	15964	12455	12976	17461	38762	19441	13398	13332	6370	20422	3591	14842	13360	9755	12309	11392	17590	10442	30808	11359	13661	11832	16723	19329	32599	10046	219	0	0	12757	22259	0	13541	10570	11703	14569	8708	0	12970	8345	5816	13619	5623	11502	5387	13514	10383	11966	6124	13472	10737	20900	24571	30490	42977	13513	12852	10843	5150	12111	0	9324	15595	22526	12512	10649	9073	13254	8077	5849	13768	9923	9270	28445	9218	11940	23767	22249	11003	0	13098	15324	6671	8466	8339	12163	11787	11201	12316	16517	5994	0	10311	11951	Phytochemical	0.2777778	1.1111112	0.11111111
6	C18 H20 O5 N2	345.1445	345.14508	0.041398525	345.1445	94319	99848	83647	92827	34031	32762	39605	66549	34004	177756	121972	36014	44988	24640	46553	67088	52181	47317	64113	177799	214419	118826	49320	74441	39179	152534	37212	143990	52845	50804	52889	54804	74578	55511	186317	51474	67527	41237	64069	111319	139701	34090	0	0	0	91306	111766	0	75601	54349	96065	94801	35925	345	38375	27060	24237	72130	24413	40862	70823	76496	41703	31908	24743	41406	43184	67688	130751	234204	255090	55020	48461	43119	36967	48461	0	36336	52385	120490	46139	39697	35217	84890	32435	27763	54951	42951	34792	91756	1032873	612192	100938	176140	178756	0	92271	83720	23649	29831	31091	64034	36145	77966	47314	60696	26639	0	44588	42210	Phytochemical	0.2777778	1.1111112	0.11111111
26	C20 H24 O3 S1	345.1519	345.15225	0.10795268	345.15192	4713	4865	4726	5247	3098	0	0	0	0	7028	23522	0	0	0	0	0	0	0	0	13256	12206	10953	0	0	0	52227	0	17183	0	0	0	0	0	0	12227	0	0	0	0	18260	22934	0	0	0	0	0	6979	0	0	0	5703	4970	3560	0	0	0	0	0	5855	3949	0	10751	0	0	0	2429	3443	0	43747	25856	28261	0	0	0	0	0	0	0	0	22848	0	7538	4523	17048	0	0	2787	0	0	1593	8857	11697	0	17468	14386	0	6430	0	3241	2608	5315	0	0	5744	6568	1802	0	0	0	0	Organosulfur	0.15	1.2	0.0
6	C16 H24 O8	345.1544	345.15503	0.030235892	345.15442	6142	9031	5149	11338	2760	5155	5943	19344	8984	0	0	6634	15282	2736	6918	15175	14861	9994	8171	5852	12029	7627	13198	19247	6668	2203	6224	3336	19106	10483	7646	19872	9215	6673	6514	13662	8683	6857	11651	4076	4277	8254	0	0	0	9807	5829	0	7260	20157	9651	8576	9632	0	15984	9990	3843	15151	9114	11798	13362	2674	5609	4999	2821	5904	7750	19302	0	3769	3449	13689	14684	19790	7741	9119	0	5494	5821	4042	4340	6857	9510	4283	4737	3156	12942	3652	7102	26170	0	6367	19664	0	4575	0	5110	4990	3267	9882	13032	16416	8776	8190	0	8069	5722	0	8133	4663	Lipid	0.5	1.5	0.0
16	C16 H24 O8	345.1544	345.15485	0.025079109	345.1544	100497	84681	87227	85822	106479	108898	68265	81073	158962	104242	34992	44640	212241	80849	90325	68300	36015	203944	196245	111229	88118	60053	73629	73932	78670	15677	46568	80799	130451	92572	97098	106040	163200	86975	118021	113404	135643	60707	38795	82162	15101	85227	3622	1173	1561	49411	18017	1050	102491	67364	78831	90872	109747	1905	330519	121308	65008	89515	95568	19641	81669	49222	159970	165560	55832	148892	99896	30783	11471	47317	17008	82679	98334	106001	45587	83310	1437	66347	47923	28987	42889	26705	59002	38894	78961	80772	57848	57431	86711	54851	89214	132059	82867	36678	52957	1186	92724	102962	76731	81375	90620	133248	54850	85861	23015	64380	102128	892	43480	202135	Lipid	0.5	1.5	0.0
10	C16 H24 O8	345.1544	345.15485	-0.07188384	345.15436	132448	131168	76934	126376	46640	55512	179468	100468	122840	42164	29098	63217	126972	32172	160740	195688	88752	82256	99088	66352	42738	58834	73422	95260	129104	0	151532	41388	235476	197764	84714	194923	228352	82264	56044	117150	140024	70628	74210	34024	44576	128076	2478	0	0	59080	37860	0	102580	175008	75380	140688	52830	0	205460	55486	76988	209516	182776	42774	129848	22754	66538	73464	75860	133252	105800	73600	0	23566	17250	173392	188508	242748	81824	181788	0	73692	147516	40642	119096	37580	148644	25434	70018	53466	65978	35026	60442	50808	50692	117880	216516	33894	44402	1308	155812	164356	39088	58016	59326	111964	58040	88150	0	69912	54794	0	107688	79382	Lipid	0.5	1.5	0.0
14	C15 H24 O7 N2	345.16562	345.16614	0.28034496	345.1657	6907	9552	6801	7396	5200	12590	7571	9898	5306	3867	0	6011	7427	2949	10162	12310	6388	14933	14238	5312	2804	14058	8379	17997	15527	0	5527	14779	21816	8773	12104	22078	19155	12717	3178	10393	14083	9000	8789	3596	0	5346	0	0	0	3709	0	0	11253	7884	9209	9894	7456	0	8266	1743	3963	21278	5521	0	0	0	6890	4478	3785	8212	9475	7483	0	2002	0	9934	11885	11911	5081	8965	0	10054	5707	16354	6360	4740	4313	0	3410	4897	9337	7744	5026	16494	63704	36868	29720	4922	6460	0	12794	10449	3676	0	4410	13892	8699	9939	0	15198	4532	0	6612	9253	Peptide	0.46666667	1.6	0.13333334
8	C15 H24 O7 N2	345.16562	345.16617	0.03493848	345.16565	34946	31942	27287	36293	16791	23185	23923	38061	22355	11414	9881	20581	31144	10701	43356	44412	25783	39399	36458	18554	12456	44024	33285	49340	38533	807	23753	10836	39945	29747	37100	41873	46154	34068	20334	39711	51196	28940	28446	14036	9827	20555	0	0	0	23482	12033	0	41007	32707	25063	32592	22811	0	33889	12141	14116	45634	28270	15528	47065	6597	28996	24566	10621	28966	22769	34502	0	5464	2241	40183	27723	36763	19655	31801	0	28358	28173	10718	18591	11680	16388	5645	17076	17499	31119	20909	25890	47213	43897	57166	79512	9612	12047	0	38013	32844	14462	15500	13016	45882	23084	25442	9712	44241	18496	0	25897	42132	Peptide	0.46666667	1.6	0.13333334
12	C15 H24 O7 N2	345.16562	345.16614	0.14463322	345.16568	11047	15643	15289	20724	10152	12094	11086	26613	12350	5633	3354	9974	13221	6887	16174	23384	17362	15437	20004	9609	8843	23636	18702	26530	17967	0	12201	10021	25059	15028	22889	26831	41058	20616	6873	22655	34014	15451	16030	3454	0	11954	345	0	0	14712	6365	0	19619	14020	14657	16477	14563	0	19305	5887	6417	29211	12598	0	19473	5798	11425	11274	6013	18511	14592	15674	0	1804	3199	20790	16316	22645	12330	16925	0	17862	16461	0	13656	5035	12095	3138	6772	8538	20745	13715	14563	25229	32940	40695	44306	5658	5365	0	15697	22329	5929	5372	5746	22068	11286	13097	0	27105	9642	0	15793	19239	Peptide	0.46666667	1.6	0.13333334
4	C15 H24 O7 N2	345.16562	345.16626	0.011422779	345.16562	19940	16331	16995	16797	15350	24852	11094	20666	22051	6489	6103	9736	32576	8609	15304	18917	19088	33971	25669	9783	8086	21378	13686	24001	10879	760	9714	4434	15918	15256	17147	17605	27850	14456	9122	16843	26451	12646	26438	6501	5632	14189	0	0	0	10429	6687	0	17756	17734	19660	16217	16679	0	30825	12288	9195	22422	14276	7915	20243	2896	32743	22400	6845	24102	12902	21366	1380	2023	2392	18614	15373	19263	5827	11892	0	12573	14575	7993	11340	5798	6688	1812	20608	14458	13214	13691	17150	20544	26039	32490	38879	5364	5025	0	14809	20743	15702	14673	18508	22778	12129	15527	4717	20953	18856	0	9653	42386	Peptide	0.46666667	1.6	0.13333334
6	C15 H24 O7 N2	345.16562	345.1662	0.023677956	345.16565	31496	38786	33507	35091	18120	288072	21631	42491	24401	11232	9862	21816	34333	12837	36119	43860	24944	38059	40246	16652	16877	36786	29943	48132	24631	1060	23170	9377	37389	32395	37246	39473	59109	37476	23048	41616	52439	29072	32049	10689	11787	21180	0	0	0	18205	10321	0	40339	37996	34039	33027	23252	0	36675	13558	14462	46072	21916	14478	46144	7455	33143	21134	11648	31098	22454	36355	0	4892	0	41075	30336	42269	14852	26602	0	28308	22442	12755	16200	9102	13075	2320	18713	20065	27582	23937	25683	53553	39871	59469	73759	10875	11961	0	31440	29025	13978	15101	15647	47202	31750	25587	8944	49007	20270	0	19633	46071	Peptide	0.46666667	1.6	0.13333334
20	C20 H24 O5	345.16965	345.17007	0.07502617	345.16968	1676341	1801491	1658862	1487219	1424092	1433751	1010721	1592139	1260114	2281248	1592516	1083545	1627366	1028057	1336588	1821422	1440855	1571870	1912353	2835798	2973018	1623718	1235405	1773116	1127707	3847500	1081025	1461454	1591605	1422685	1262793	1526862	1809789	1547109	2261696	1414189	1933066	1051819	1460075	2016735	2160144	1188462	47051	18730	10964	1346729	1348115	22019	1606564	1316045	1654559	1718035	1223873	16031	1365398	1285638	912697	1765172	1179236	1175064	1615435	1282326	1487081	1273151	728653	1554931	1178419	1496283	3171093	4218828	4838099	1460073	1437382	1375966	1472339	1462965	9060	1076159	1596013	1212670	1260281	847433	1158666	1433028	1412173	926974	1504258	1264366	1241007	1693043	1619686	1573728	1991142	1166932	1467811	25015	1700517	1712228	1104545	1614163	1750014	1832313	1102732	1820060	882573	1466666	1098347	20066	1198080	1596941	Phytochemical	0.25	1.2	0.0
18	C20 H24 O5	345.16965	345.17007	0.059235234	345.16968	1620113	1674452	1524295	1374945	1177356	1201238	1168294	1541040	943125	1765794	1392535	1072878	1291806	868513	1194100	1836334	1653867	1313413	1676699	2423983	2313584	1382706	1244949	1785818	1037215	3375014	1107695	1315262	1397118	1375380	1339409	1493356	1787598	1334485	1736875	1440583	1681075	1085009	1747682	1653723	1895162	1036521	38985	10268	10061	1124415	1179294	13092	1621070	1383110	1515391	1498085	1068951	14220	1273577	1134840	898617	1722025	959448	1271698	1589933	1105335	1288961	1053446	728001	1295639	1071839	1828203	2813944	3304905	4264356	1288562	1138390	1360234	1586352	1471539	7788	955941	1586283	1030635	1375531	934683	1085472	1242228	1283166	974174	1476480	1122478	1182641	1809244	1466392	1455840	1886574	926409	1343085	19404	1569407	1480289	1010380	1413493	1469443	1809791	985961	1545818	624685	1298420	938149	11301	1277700	1139903	Phytochemical	0.25	1.2	0.0
26	C20 H24 O5	345.16965	345.17007	0.0916258	345.16968	120295	120383	114546	119246	137408	82731	54671	142243	119266	133397	96592	86859	234313	126673	91780	141419	87375	153805	181797	193334	183683	131602	117504	148823	89776	201842	57597	110986	119604	117731	111998	109222	129425	99665	156734	121744	147396	81090	93687	139062	122111	90167	12485	8469	0	104255	82260	11906	122309	104252	128175	126450	112875	11081	140439	174006	71920	151968	82602	65317	153165	76848	164234	110025	55838	174689	121258	91898	194988	214757	239621	94220	97380	111065	79778	114695	11486	85104	132340	85506	108905	64391	78980	93060	157117	87592	143857	93961	94653	147214	126789	122104	218422	80748	127890	10890	125991	147130	81212	229030	238299	141424	75944	135276	71099	117549	95193	12997	101184	152676	Phytochemical	0.25	1.2	0.0
28	C20 H24 O5	345.16965	345.17007	0.03894641	345.16968	46072	36900	37216	41904	50830	27869	24215	47771	36162	47503	34138	23851	81087	40373	29851	47775	36365	48618	63808	56898	55490	47047	39348	46246	28285	64646	26592	33270	43443	44041	37548	40032	46429	37647	51641	52189	43883	24916	35766	42630	42511	32641	7835	5540	8993	33963	31935	7472	38222	42759	40078	45309	40861	7157	43753	53621	25294	53235	23692	20653	53834	23603	46709	34411	21955	64481	38521	38868	60487	71559	88656	35265	34454	39495	28294	43177	9435	26884	42927	30745	32416	24285	26775	32295	44413	27180	53064	30329	32911	52856	44357	47546	58083	25877	32824	5591	42269	45526	29061	82944	84990	51130	31534	50872	22528	44651	32590	4285	31499	37732	Phytochemical	0.25	1.2	0.0
24	C20 H24 O5	345.16965	345.17004	0.06843801	345.16968	490285	476483	446233	470455	486358	401576	225338	425631	410605	700767	492179	250704	785147	374980	327939	466460	279995	612319	687000	940731	889941	509422	375828	506216	306863	917177	228317	531654	405003	351218	334125	388058	463872	398858	836784	427462	570138	269036	316403	614197	524413	283397	32947	14843	22844	418761	338508	19720	425787	332616	468726	444882	395075	23760	509211	491481	257772	478071	347914	227203	500642	424581	550066	413408	201349	636382	408047	305089	787570	1071097	1025145	419387	363430	327616	237996	363417	17468	284601	443735	306862	345695	270426	280024	417199	484150	291806	432619	303220	357483	447134	476155	499760	647069	370380	519638	23111	469253	494172	348398	714325	710155	480136	246912	494127	277089	443301	337319	18001	323895	547537	Phytochemical	0.25	1.2	0.0
0	C14 H24 O6 N4	345.17685	345.1775	-0.15055369	345.17682	4248	4999	3119	3727	4211	25225	1424	5055	6409	0	1234	2773	5651	0	2351	0	4245	6023	4952	0	1595	4406	3559	4781	2649	0	0	12208	7710	1894	4436	5623	9447	5139	1745	4339	5669	2928	5572	0	0	5944	0	0	0	1355	0	0	4085	4302	4221	1995	4533	0	3054	1929	1621	7272	1009	454	2297	0	3025	3290	4081	4753	7976	5641	0	0	0	4850	5446	4401	0	5249	0	3086	2828	34978	1493	0	0	0	2834	2677	2971	3976	2837	2944	20959	9266	7247	3355	0	0	4370	3827	2407	1324	1406	4725	2077	2005	0	5204	3246	0	2742	8835	Peptide	0.42857143	1.7142857	0.2857143
2	C14 H24 O6 N4	345.17685	345.1775	0.020904575	345.17688	19686	15611	14915	16008	5296	0	15737	26946	7145	12598	12689	17028	8346	3872	20294	14853	21136	6982	10452	14276	23153	18264	16738	25440	13980	8863	9629	25453	22003	18752	21599	21182	25618	20310	19396	21150	22141	17886	29567	17655	19048	5809	0	0	0	11646	16014	0	21678	20488	17445	16711	7638	0	10122	3699	5614	20759	5381	7613	13669	10057	6159	6316	2805	8599	9492	31728	7886	13782	13891	22612	20412	22271	15339	18777	0	15841	18527	50000	18392	5713	9877	13324	3623	6785	16437	9696	10586	36035	35234	22589	36879	15628	13328	0	17888	16770	4678	4358	3811	16486	13829	19129	8868	21515	4091	0	15834	8089	Peptide	0.42857143	1.7142857	0.2857143
6	C14 H24 O6 N4	345.17685	345.17725	-0.038042035	345.17685	1318	1862	1085	914	0	1933	888	782	464	0	1656	0	0	0	727	1395	0	0	0	0	0	1533	601	0	971	0	531	8846	0	0	0	0	895	0	0	0	1043	788	0	0	0	0	0	0	0	0	0	0	0	0	732	1048	0	0	0	0	0	1037	0	0	1368	0	0	0	0	0	562	0	0	0	0	721	0	0	0	547	0	0	785	5786	1060	0	0	0	0	0	643	0	0	2036	42635	12437	2274	2026	1288	0	1074	804	639	511	0	0	659	0	0	1320	0	0	650	0	Peptide	0.42857143	1.7142857	0.2857143
16	C19 H24 O4 N2	345.18088	345.1813	-0.08046524	345.18085	29821	29306	27084	28720	8374	14844	21557	26800	5975	41429	25014	13925	6013	8230	16498	41203	37241	10763	18263	50201	49726	41508	17283	52044	21834	54486	22092	26126	26052	24451	23265	23634	43092	30235	43251	26088	34584	13905	39545	50079	49145	18194	299	0	0	31469	33622	0	36152	28408	24273	27009	15558	0	8540	4783	8771	40204	11273	27865	34996	24303	5646	5478	6447	9057	15531	39960	41876	52536	63446	27002	26184	24466	36568	31774	0	17046	22627	31101	14949	18991	23166	40661	4449	6819	27838	22170	14475	65145	50422	26748	47796	26092	47028	0	30736	32117	4733	6523	5880	42474	12550	29842	19833	32096	7428	0	25422	4186	Phytochemical	0.21052632	1.2631578	0.10526316
4	C19 H24 O4 N2	345.18088	345.1815	-0.035467524	345.18088	18645	19270	19645	16094	5562	9169	11912	28428	5001	25860	12584	13174	5201	4958	17665	25227	24696	8368	13035	33485	37687	27295	16603	28218	19589	22734	15746	12276	21089	18782	17542	20232	19754	14948	33230	19955	20479	14494	30862	26590	21021	10111	0	0	0	18788	25212	0	23606	24926	18605	17653	8013	0	8193	2995	6388	22227	2480	9165	25581	16610	6128	6669	3644	6718	8697	29559	17720	27511	27690	17933	15742	19476	24477	17931	0	15319	19664	22217	15732	8144	7067	17307	5016	5800	17682	9317	9417	35686	33404	17086	41138	22299	38173	0	16594	19595	4697	2854	3546	21158	12836	25478	12248	22523	3549	0	20573	4779	Phytochemical	0.21052632	1.2631578	0.10526316
20	C19 H24 O4 N2	345.18088	345.18124	-0.09427001	345.18085	6234	9091	15337	8465	5953	4682	8377	9685	3765	12776	13187	4846	0	6329	8851	18313	11651	3387	7289	16317	20550	20386	3862	16531	8900	23516	6490	15660	11050	5531	7870	12509	13386	11332	14222	12082	12134	5784	11179	21315	31052	8322	0	0	0	10865	11731	0	14707	7745	13932	10431	5665	0	3945	3771	2732	17361	5614	12565	17068	13496	4928	2516	2637	8513	8133	13682	17614	25474	27137	7773	9323	6080	10496	7255	0	5851	6544	16121	5565	6607	6248	17886	3355	4739	10227	7350	4736	23863	25026	15982	22327	15594	11832	0	14743	9430	2921	3492	1511	16242	7530	10262	6973	20498	2436	0	10885	4907	Phytochemical	0.21052632	1.2631578	0.10526316
22	C22 H25 O2 Na1	345.1825	345.18295	0.29694125	345.18262	0	0	1628	0	1670	0	0	0	0	0	0	0	0	0	0	0	0	3613	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10301	2460	0	0	0	0	0	1595	0	0	0	0	0	0	0	0	0	0	0	0	0	29781	0	19875	0	0	7756	32208	0	0	0	0	0	2285	0	0	7453	0	0	0	0	0	6848	0	0	0	Phytochemical	0.09090909	1.1363636	0.0
16	C17 H28 O7	345.19077	345.1912	-0.017339814	345.19077	3765	5860	4688	6201	4178	4878	15402	7215	3328	2417	1536	4682	3846	6226	5891	7724	6266	6096	5098	0	0	2254	2415	6300	6251	0	9887	4630	10771	10226	11368	9130	11517	8579	0	12050	9147	5976	7508	2011	0	4084	0	0	0	1129	0	0	14035	9006	3004	4822	3186	296	4545	4728	4432	7534	2639	0	9412	0	3497	4202	3714	6154	6164	6233	0	0	0	7993	10258	15485	7302	10110	0	5203	2359	0	3202	2620	22750	8330	4431	3004	4051	2609	4842	0	4203	5748	0	0	0	0	6215	4638	2906	6886	5376	9681	4338	3873	0	0	3486	0	3138	3992	Lipid	0.4117647	1.6470588	0.0
20	C17 H28 O7	345.19077	345.1912	0.041550606	345.1908	5812	7998	6533	6857	7856	10239	17758	10066	6101	4075	3242	1610	12280	9852	14035	8618	1636	13852	14610	0	2289	2263	5853	8035	13083	0	6635	9093	23823	10484	11335	15375	18701	17538	4838	15069	18766	5843	2610	0	0	8128	1557	608	336	1865	0	0	14049	6578	9750	6314	7954	377	15566	5850	4701	8935	8683	1114	9100	0	8881	5857	6597	13405	11584	0	0	0	0	12228	19341	14717	5208	8252	512	7895	2308	8511	1829	0	20877	0	2765	6548	7120	4484	8089	0	24321	24367	9616	2610	0	0	8008	9558	4003	4751	4711	15222	5991	12061	10094	5603	4879	0	6705	10703	Lipid	0.4117647	1.6470588	0.0
22	C17 H28 O7	345.19077	345.19116	0.04427885	345.1908	3473	3436	4797	0	2295	3268	4904	1982	2595	0	0	0	4920	0	4153	2486	0	6022	5301	0	2069	4049	2097	1404	4612	0	3965	5356	7658	3439	4668	0	6269	3438	2542	6696	7175	3718	0	0	0	2460	0	0	0	0	0	0	5514	2269	2167	0	3103	317	7421	1382	2294	4825	5303	0	2083	0	5942	2650	1647	4970	4191	0	0	0	0	2294	3063	4077	0	2768	0	4711	0	4402	1851	0	7356	3238	2461	1567	0	0	3621	0	0	21715	4183	0	2909	0	2991	3417	1997	3072	2988	7336	3078	2907	5660	2347	2432	0	1603	6562	Lipid	0.4117647	1.6470588	0.0
18	C17 H28 O7	345.19077	345.19116	-0.037737224	345.19077	9628	9665	5475	9307	5595	8649	17254	14348	4711	2995	2932	4467	8829	8729	9220	9387	3022	6044	10022	3325	0	2437	4649	5366	9053	1257	10402	8123	15910	9767	12450	20512	18316	9840	2862	14326	16121	7820	5100	0	0	8890	2975	1406	578	1822	1173	1091	13260	8594	7852	7275	7353	847	11485	7702	5779	12078	10579	2241	10161	1143	7462	5496	9592	16935	13696	6156	0	2149	0	9641	13396	15444	7976	14635	550	8128	3127	9008	4525	0	24528	12897	6345	7012	9199	3208	9318	4117	12645	15483	6467	2166	4296	1149	9187	7391	5442	11058	14805	16233	8434	7168	5325	7568	6531	1030	6544	6349	Lipid	0.4117647	1.6470588	0.0
2	C16 H28 O6 N2	345.20203	345.2026	-0.03276341	345.202	5765	6332	5654	4808	4596	0	5146	8812	4186	1746	0	4240	5696	2328	6824	6674	6475	5674	6073	2609	1939	6612	5489	8280	5978	0	2746	0	10352	4909	8270	8195	9954	6698	3936	8372	9164	4687	8913	1086	1110	0	0	0	0	2582	1116	0	8046	4690	5937	6100	5171	0	5883	2153	1644	10852	2376	785	6677	390	3873	4248	0	4625	5865	7971	0	914	0	6249	6574	8132	2473	5748	0	4492	4918	0	3088	0	1628	739	3197	3190	7289	4280	5613	10910	25998	25842	16515	1493	1603	0	6135	6830	3025	2495	2074	7927	5464	4388	1021	7693	3498	0	3941	5803	Lipid	0.375	1.75	0.125
6	C16 H28 O6 N2	345.20203	345.20255	0.03314307	345.20203	4451	4808	4961	6030	3554	4289	3883	6770	2218	1634	0	2576	5521	1707	5558	11134	3669	5372	5711	1785	791	7455	4350	9735	7381	0	2226	0	5671	4165	5620	7295	7531	6895	3112	6676	6624	3226	6631	1234	0	3370	0	0	0	2114	0	0	7025	4536	4630	6495	4735	0	2882	1785	1930	10502	979	564	10049	0	3612	2524	1449	4583	4306	8151	0	0	0	4885	3679	4837	3644	6002	0	2675	5790	0	1687	857	1284	0	2563	0	9371	2994	5795	10532	24203	18413	16434	1315	0	0	4354	4939	917	1692	3083	7605	2361	2936	0	8216	2475	0	5878	4117	Lipid	0.375	1.75	0.125
28	C21 H28 O4	345.20602	345.20645	0.024077792	345.20605	42683	36808	35728	36157	43160	27116	33258	48971	31791	29848	25980	21719	46451	35436	38508	45012	39818	38232	63261	42501	39420	39789	34378	37253	39870	51596	33158	35261	49515	51594	54569	42270	59311	36862	41304	55978	51107	31542	41488	32377	31969	33822	4607	3365	6253	31368	23165	4237	46864	44111	36170	38631	35571	4653	45162	36930	23630	52904	32225	17919	46781	22016	36498	30594	25704	49134	45092	43623	42972	50231	54599	26734	31159	45071	26649	42433	4285	24226	66431	41041	26944	23162	29803	25158	41362	27549	88652	25766	33624	55237	51245	53200	58996	32211	34445	4188	40184	35839	32020	54414	60289	61974	25449	39581	24880	45602	34764	4206	31809	35362	Lipid	0.1904762	1.3333334	0.0
14	C21 H28 O4	345.20602	345.20648	-0.0336434	345.20602	30497	34958	32664	32004	15563	12738	42970	35950	17405	20701	16886	26184	7873	11307	28577	42689	62852	14014	21717	23947	16361	30420	24728	31401	30560	23579	51850	18638	31907	33384	24948	31071	28674	15316	17763	33495	28122	27156	68196	15056	29665	21520	0	1326	1458	17015	29036	1854	31737	36864	30307	36145	12878	873	16413	23614	22651	48170	16483	30925	20684	8944	15596	15442	18049	15203	21347	69742	22294	23471	39829	19824	23135	32757	55964	29043	1091	21488	40090	17925	31375	26154	34201	20129	32040	23857	55727	14029	22529	93215	24536	31044	50624	15963	18667	1582	38917	28454	17484	38189	43893	26080	25979	35757	0	30961	21865	1548	43801	11674	Lipid	0.1904762	1.3333334	0.0
26	C21 H28 O4	345.20602	345.20645	0.06725556	345.20605	319276	309628	310235	306385	315306	199535	177087	383226	284564	292868	314842	158041	377965	397756	398282	303401	196489	343297	471836	463388	447801	405865	244940	405378	414574	549204	175937	369142	391384	336660	389511	359548	445745	272656	425554	412174	456049	357932	210438	347512	250434	290935	13538	7154	0	284710	150125	6849	361196	267861	338356	310354	279904	0	342341	312540	176952	390163	288642	133689	349910	228321	308356	247453	352620	336420	330851	236784	468119	542842	495886	248100	273599	401351	181822	311035	0	231699	340918	346589	232512	213712	261889	260169	284138	214958	495794	198525	230147	290040	433415	469416	591911	378223	359811	8573	304993	362788	385250	331206	343504	458202	174011	345729	255146	282797	271050	12611	303465	286326	Lipid	0.1904762	1.3333334	0.0
12	C21 H28 O4	345.20602	345.2065	0.001209107	345.20602	15351	11862	8764	11625	2400	4791	13287	10808	4052	3999	7151	5408	1407	3720	7656	18173	14640	3153	5139	4233	5957	6904	5961	5844	6826	5808	15495	0	7578	13440	9069	13472	10272	4749	7127	11483	7471	9686	18630	3714	8873	4582	1818	1527	1587	5510	6455	2059	13698	11441	15314	10172	4158	775	5420	5042	5880	18336	4438	10483	0	2427	2039	1722	3051	3474	3755	22291	0	5353	2726	3768	9001	17067	21703	12626	811	6793	9069	0	10185	9240	9883	3276	6094	4825	16740	3732	3772	25663	9134	10070	12491	5312	11478	1900	13861	11773	4182	10210	8273	15432	8679	6167	0	8613	5335	1313	9641	2776	Lipid	0.1904762	1.3333334	0.0
24	C21 H28 O4	345.20602	345.20642	0.040501766	345.20605	1004340	984396	933804	976190	837713	632808	577964	917608	664804	1159092	1055471	497256	860695	636553	827028	1009517	792902	908614	1236982	1632589	1540474	1593302	648967	897035	740847	1991635	559311	1064483	922863	858986	801525	959411	1069243	821330	1342724	1035917	1180872	701962	827274	1035873	1009418	616162	24535	7243	7483	726360	695398	10967	987130	723845	977677	947482	748555	11656	883883	657334	469748	1031593	725572	488814	1000801	701599	705053	658203	383860	867131	788294	818421	1505319	1876538	2017012	712221	769280	840052	696382	866680	5386	607729	714074	4005681	577352	548259	705201	782211	692824	533417	895927	580801	783966	928968	1189101	1169122	1229855	4618299	2981604	11452	986684	1030654	568864	720296	775744	1237462	528214	1053917	555504	864371	614685	9143	678050	782523	Lipid	0.1904762	1.3333334	0.0
6	C15 H28 O5 N4	345.21326	345.2138	-0.024394855	345.21323	2826	3205	3219	2965	0	1844	800	0	0	0	1358	0	0	0	1023	2318	0	10671	2259	0	0	0	1096	0	4111	0	0	10931	0	0	0	0	1225	0	0	0	0	1098	0	0	0	0	0	0	0	0	0	0	0	0	3631	2863	773	0	0	0	0	7522	0	0	4049	0	858	0	0	0	2033	0	0	0	0	0	1416	814	0	0	0	451	889	174927	601	0	0	0	0	0	2255	0	567	3785	181434	47398	1608	19621	1966	0	2677	1995	0	0	0	819	0	0	0	1377	0	0	7829	0	Peptide	0.33333334	1.8666667	0.26666668
2	C15 H28 O5 N4	345.21326	345.21387	-0.03936808	345.21323	15196	11792	11690	11034	1295	32542	4448	2744	642	1404	8249	2285	1578	909	3999	2897	5460	3620	1461	0	0	3283	2440	3459	3089	0	2505	238016	4196	1154	3267	2729	7645	2345	691	3205	5786	3112	5339	0	0	7531	0	0	0	483	0	0	3662	2053	11550	12622	5665	0	720	385	1265	4501	0	0	2591	0	701	0	0	7750	1523	4412	0	0	0	1914	1972	2487	2765	2417	0	3515	3777	1015962	2936	0	0	0	782	2321	3911	3397	1882	6473	465158	260312	7822	66498	925	0	11494	11980	1142	547	568	4137	5328	741	0	3857	451	0	4758	1749	Peptide	0.33333334	1.8666667	0.26666668
4	C15 H28 O5 N4	345.21326	345.21387	0.003292561	345.21326	5515	6027	6506	4599	569	6125	786	1845	766	0	4213	656	332	0	2346	9843	835	10472	1066	0	0	841	1408	2785	16547	0	2688	55674	1638	879	2049	773	2036	1160	652	684	982	1909	1120	0	377	1850	0	0	0	0	0	0	0	962	4684	5127	1044	0	1106	289	0	8305	0	0	6200	0	250	759	0	966	2154	0	0	0	0	1706	767	899	0	491	0	703	1054	530009	610	0	0	0	0	699	3954	1299	944	3303	323150	132276	3811	27033	2560	0	5833	4881	3168	0	679	1140	1396	0	0	3183	1730	0	7847	318	Peptide	0.33333334	1.8666667	0.26666668
0	C15 H28 O5 N4	345.21326	345.21387	-0.07980482	345.21323	1991	1812	3183	2768	1917	0	1518	1752	924	0	1421	2186	2320	0	1888	0	3905	3102	2956	0	0	2030	2359	1873	2828	0	0	66845	3216	0	1913	3749	4551	2818	0	1934	3437	2410	4514	0	0	3920	0	0	0	0	0	0	2393	0	1819	2134	2187	0	1271	466	0	3659	466	519	0	0	0	1229	1605	1378	0	4759	0	0	0	1993	3458	0	0	0	0	1592	2911	52706	2745	0	0	0	788	1849	2779	1955	2604	4897	15369	4352	4342	4947	0	0	2386	2444	1129	799	1222	2148	0	0	0	3602	1428	0	3307	1405	Peptide	0.33333334	1.8666667	0.26666668
8	C15 H28 O5 N4	345.21326	345.2136	0.291277	345.21335	0	0	0	0	0	0	0	0	0	0	1389	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1272	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28179	0	0	0	0	0	0	0	0	0	0	80133	17512	0	5363	0	0	0	0	0	0	0	0	692	0	0	0	0	0	682	0	Peptide	0.33333334	1.8666667	0.26666668
24	C23 H29 O1 Na1	345.21887	345.21936	0.53561944	345.2191	2485	3473	3766	2052	2459	4371	0	0	0	0	0	0	0	3951	0	0	0	0	1416	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8953	0	0	0	0	0	0	0	0	2327	3605	1779	0	0	1840	105531	0	0	0	0	0	0	0	86523	0	8623	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16177	210439	0	49209	8051	0	0	2988	0	0	0	0	1407	2113	4398	4466	54423	0	0	0	0	0	54087	0	0	0	Phytochemical	0.04347826	1.2608696	0.0
0	C22 H32 O1 S1	345.22467	345.2252	-0.6688186	345.22443	0	0	0	0	0	24248	0	0	0	0	3384	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55832	0	0	0	0	1661	0	0	0	0	0	0	0	0	3756	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	236761	0	0	0	0	0	0	0	0	0	0	147555	22679	0	4842	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.045454547	1.4545455	0.0
2	C22 H32 O1 S1	345.22467	345.22476	-0.5797991	345.22446	0	0	0	975	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3134	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20362	0	0	0	0	0	0	0	0	0	0	4705	1725	0	16078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.045454547	1.4545455	0.0
18	C18 H32 O6	345.22717	345.2275	0.033714224	345.22717	16043	17817	17716	13199	2363	13273	3689	54869	0	2402	0	0	0	9664	0	38404	0	2026	2737	39078	0	0	0	9774	0	2371	6284	10967	9417	17728	9957	26342	0	22182	0	17327	0	0	0	47162	0	33909	447	0	0	67609	0	0	75838	25631	17713	16856	0	2182	0	1155	13002	38255	0	0	27704	0	5725	0	31230	0	8308	0	0	31168	0	44829	1205	1859	0	7224	0	0	0	19741	0	0	12753	5624	13724	62621	0	23943	8000	0	432295	602783	0	0	17327	0	14500	20231	2128	11133	99353	0	0	41385	0	0	27793	0	0	1671	Lipid	0.33333334	1.7777778	0.0
20	C18 H32 O6	345.22717	345.22745	0.06933637	345.2272	4793	4757	5436	0	0	4784	8298	24492	0	0	0	0	0	2774	0	7882	0	0	0	16367	0	0	0	1911	0	0	7662	5398	3654	10178	3885	10184	0	10047	0	5056	0	0	0	9911	0	12738	643	0	0	19920	0	0	31206	13587	4509	4069	0	2803	0	0	4504	13445	0	0	15960	0	3153	0	10464	0	3535	0	0	3099	0	16333	0	2552	0	3671	0	0	0	34999	0	0	24812	10420	2562	13472	0	11812	1371	0	91926	120185	0	0	2958	0	4847	4870	0	1189	16773	0	0	12299	1750	0	7748	0	1353	2029	Lipid	0.33333334	1.7777778	0.0
22	C18 H32 O6	345.22717	345.22742	7.70768E-4	345.22717	1532	0	1290	0	1369	0	14513	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6472	8877	1924	1228	1655	0	1267	1285	0	0	0	0	0	0	0	1441	0	0	0	0	0	0	2157	0	2818	1642	0	741	0	0	0	0	0	0	1350	0	0	0	4396	3192	2732	0	0	0	0	0	974	0	0	2312	0	0	0	19070	0	0	18525	10356	0	0	0	0	0	0	24330	11124	0	0	0	0	0	0	0	0	1491	0	0	0	1808	0	1839	0	0	0	Lipid	0.33333334	1.7777778	0.0
24	C18 H32 O6	345.22717	345.2275	0.03357923	345.22717	3181	1033	2471	2311	4516	1786	6219	3712	0	0	2908	0	1918	4484	0	5484	3595	0	0	2203	0	0	0	0	1537	0	3475	12722	0	0	0	2993	0	3183	0	3859	1678	1101	5854	2256	0	2975	4152	0	0	2353	4973	0	4461	1973	1064	2441	1831	0	4840	0	1742	1279	2602	2639	2544	1620	5612	0	1932	7211	7071	9467	0	2314	1941	1543	0	0	1399	1384	0	0	1761	20694	0	0	4762	1876	0	0	3030	1729	0	3339	51843	44291	1745	2628	0	0	3007	2795	942	0	5474	0	0	1556	16460	1088	1648	0	0	1675	Lipid	0.33333334	1.7777778	0.0
14	C18 H32 O6	345.22717	345.2273	-0.124658085	345.2271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1349	0	0	0	0	0	3250	0	1289	0	0	0	2353	0	0	2741	0	0	2118	0	0	0	0	0	0	0	0	0	0	0	0	1656	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1363	0	0	3606	0	1990	0	0	30340	51138	0	0	0	0	0	0	0	1361	11405	0	0	3456	0	0	0	0	0	0	Lipid	0.33333334	1.7777778	0.0
16	C18 H32 O6	345.22717	345.22736	0.018255975	345.22717	0	4053	0	3195	0	2101	1254	6155	0	0	0	0	0	0	0	4073	0	0	0	3721	0	0	0	2018	0	0	1053	0	1506	2879	1640	5754	0	2438	0	0	0	0	0	11669	0	4113	0	0	0	10082	0	0	9632	3490	1923	2979	0	0	0	0	1010	9584	0	0	0	0	0	0	1790	0	0	0	0	7054	0	3854	0	0	0	1407	0	0	0	0	0	0	5781	3357	0	4529	0	1966	1184	0	39484	58779	0	0	1991	0	1930	0	0	4754	12580	0	0	6152	0	0	0	0	0	0	Lipid	0.33333334	1.7777778	0.0
28	C22 H32 O3	345.24243	345.24283	-0.021910246	345.2424	35277	34950	36664	32371	33431	17438	50943	37744	30930	21113	46194	20454	27267	28804	35017	40908	44093	27040	50619	29642	26271	27071	25180	25302	52664	89784	43082	65390	48805	48471	30450	44652	44925	27610	31673	62980	32829	38593	48187	25681	33214	38361	5359	4000	5775	21702	20951	3557	33554	36629	35922	31148	36292	4942	42586	38260	23721	47434	34640	20670	41340	25585	20658	27748	27397	40979	59526	52822	67352	33568	40737	18772	24368	48575	29467	38919	4013	22754	44445	55564	20414	32984	41909	37768	53308	34581	89212	23989	33209	64170	45266	49031	34668	46064	20788	2781	36249	35488	29322	51239	63051	62720	25225	44227	37673	33583	63412	3555	40744	19227	Lipid	0.13636364	1.4545455	0.0
18	C22 H32 O3	345.24243	345.2427	-0.047181945	345.2424	1715	3710	3410	3413	1228	0	7424	0	0	0	1779	3889	0	3170	2219	6518	18252	0	0	0	0	0	2124	1495	1801	1706	7828	2376	6030	2368	1873	3517	2024	0	2645	4774	4536	3683	13368	0	0	2020	0	0	0	0	0	0	3155	4641	1877	2722	1817	0	0	1814	2152	5730	0	2769	0	0	0	0	2247	0	2012	20767	0	0	0	0	2009	4596	18110	5457	0	0	4628	2547	3816	0	2377	1526	3179	1658	6482	2109	1366	13683	0	3193	3525	1754	0	0	3520	3046	1382	3992	4215	7857	2747	0	0	1798	2586	0	6942	0	Lipid	0.13636364	1.4545455	0.0
20	C22 H32 O3	345.24243	345.24283	-0.009002425	345.24243	21970	22415	20397	20179	11003	9589	37160	17982	15331	8857	14789	15069	8232	14518	16462	31979	71115	6706	10712	6997	9942	8462	13359	11897	24116	17423	41719	10638	23166	22051	13783	24930	23757	15332	9368	27061	15730	23298	72237	4875	14967	15965	0	0	0	5062	9109	0	23807	14933	21084	14806	16558	0	11793	17869	18577	30899	8067	16327	16739	2804	8998	7835	17018	10466	18888	76002	10682	7363	15603	7525	17204	28021	64113	24261	0	11546	28427	16076	18373	6850	24252	17837	21353	20604	48641	12825	14284	74932	16905	13756	14394	9490	8364	0	20498	16930	12834	19902	28084	29068	14823	13145	5969	20843	23283	0	25556	6515	Lipid	0.13636364	1.4545455	0.0
26	C22 H32 O3	345.24243	345.24283	0.027232338	345.24243	190272	178136	179198	172074	146729	77651	258487	166393	134511	116430	219988	126310	116986	138075	182072	253940	313006	113339	228926	175372	162468	150513	124470	138685	271239	431994	268973	276826	216158	252765	158402	228583	241783	144868	180331	288284	197782	195277	333700	157107	192626	467747	5375	0	0	106202	119907	0	200003	193570	196536	183422	159430	0	157428	150497	127334	277552	128819	137944	225083	113499	108997	107516	118066	178610	231238	377945	283133	232161	254922	84604	135304	257828	242334	208900	0	114162	246062	246875	135492	136302	199235	174981	169984	169968	465931	132223	165958	400334	238672	237258	185663	200541	179379	0	188272	204512	111189	182232	195464	326505	114510	206495	139517	167748	146066	0	257642	85369	Lipid	0.13636364	1.4545455	0.0
8	C16 H32 O4 N4	345.24963	345.25012	-0.03496378	345.24963	1048	0	1527	1278	0	0	1481	6867	0	0	0	6227	0	0	2597	0	0	0	0	0	0	0	0	0	0	0	0	0	3417	21738	11265	1400	0	0	0	4045	0	2762	0	0	1688	0	0	0	0	0	0	0	0	10101	1240	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11649	9260	7133	0	18448	0	11707	0	0	0	0	0	1560	0	0	0	0	0	0	0	0	0	0	0	0	881	0	0	0	0	0	7078	0	0	0	0	0	0	0	Peptide	0.25	2.0	0.25
0	C16 H32 O4 N4	345.24963	345.25	0.058191396	345.24966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23683	0	0	0	0	0	0	0	0	0	0	0	0	0	1580	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1281	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31007	0	0	0	0	0	0	0	0	0	0	62962	12116	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	2.0	0.25
2	C16 H32 O4 N4	345.24963	345.24985	-0.21393959	345.24957	0	0	0	0	0	0	0	0	0	0	0	0	0	0	368	0	0	0	0	0	0	0	0	0	0	0	0	21254	0	0	0	0	0	0	0	0	0	0	511	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37864	0	0	0	0	0	0	0	0	0	0	80345	23314	0	1685	0	0	0	0	0	0	0	0	413	0	0	0	0	0	730	0	Peptide	0.25	2.0	0.25
16	C21 H32 O2 N2	345.25366	345.25406	-0.043316893	345.25363	0	0	1476	0	0	0	0	5196	0	0	0	3188	0	0	2520	12074	2377	0	0	0	0	0	2793	12266	2624	0	2141	0	2529	3285	2069	0	0	2586	0	2097	2173	4474	0	0	0	2096	0	0	0	0	0	0	6616	5634	0	0	0	0	0	0	897	6935	0	0	11297	0	0	0	0	0	1307	10772	0	0	0	4844	2908	0	4189	4109	0	1028	2786	0	3310	0	0	0	0	0	1597	1071	0	43758	0	0	0	0	0	0	0	2379	0	0	0	3648	1388	0	0	0	0	0	3459	0	Lipid	0.0952381	1.5238096	0.0952381
20	C19 H36 O5	345.26355	345.26376	0.29451683	345.26364	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4072	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52639	0	0	0	0	0	0	0	0	0	0	15246	11937	0	1592	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2631579	1.8947369	0.0
22	C19 H36 O5	345.26355	345.26382	0.03542632	345.26355	8081	10735	8943	9065	0	0	3087	1695	0	0	0	0	0	0	0	0	0	0	0	2100	0	0	0	0	0	0	3942	21113	0	0	0	0	0	0	0	0	0	0	0	2385	0	0	0	0	0	1507	0	0	1626	0	12217	0	0	1500	0	2644	10185	0	0	0	0	0	0	0	24462	0	0	0	0	2726	0	0	0	0	0	0	0	0	0	461362	0	0	2158	3365	7564	52976	0	0	0	0	0	448028	0	69061	7302	0	10200	14733	2352	14376	53322	0	0	0	0	0	15148	0	0	0	Lipid	0.2631579	1.8947369	0.0
26	C19 H36 O5	345.26355	345.2639	0.021885065	345.26355	321200	234723	355392	297573	333493	504922	12251	151911	5657	11799	14071	0	101750	480522	0	53552	0	213440	319009	103724	0	2892	0	33553	0	0	8524	105656	53932	41884	36657	53689	18797	27463	3786	39183	2757	2538	5532	93325	0	762109	0	0	0	120441	0	5495	127503	52434	307036	309122	187196	16136	57523	803982	1865341	70359	6163	6163	64644	3274	15630	5558	2490945	221022	485951	12740	0	122520	0	86924	4990	11445	0	21948	0	3741	0	63559	0	12367	4432	3560	1681588	4446511	2855	1132048	348477	0	938961	1788207	5842	5033	55229	0	323458	327641	329061	1657559	5818674	0	3539	53785	0	0	3276848	0	0	60817	Lipid	0.2631579	1.8947369	0.0
28	C19 H36 O5	345.26355	345.2638	-0.028531399	345.26355	856	1913	1090	1056	0	0	977	0	0	0	1546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1164	1564	0	0	0	0	1729	0	0	0	0	0	0	0	6004	849	2529	0	0	0	0	0	0	0	0	0	0	0	0	20144	0	8511	0	0	1926	6166	0	1814	0	0	63995	37956	0	2253	0	0	1098	0	1448	1214	8693	0	0	0	0	0	3828	0	0	0	Lipid	0.2631579	1.8947369	0.0
18	C19 H36 O5	345.26355	345.26382	-0.19512492	345.2635	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44610	0	0	0	0	0	0	0	0	0	0	39503	20412	0	8391	2031	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2631579	1.8947369	0.0
28	C23 H36 O2	345.2788	345.2792	0.03213912	345.2788	5913	6166	5140	6450	3580	2807	40367	4350	4350	2867	10537	2317	2202	8107	4772	5755	8917	2559	2213	2798	2694	2315	3637	2956	10348	12116	32666	20329	6786	7594	4123	8065	6620	3287	3865	10008	3956	7746	10429	2706	4778	7092	1542	1444	0	4016	3287	1600	5303	8202	6133	6622	6177	0	4788	5440	6713	6923	6547	5728	7610	4119	3794	3647	10487	7467	13988	12923	11017	2346	4720	1233	4436	10297	6564	8273	0	3970	7808	16254	3521	10392	10089	8773	6663	6825	20400	3344	5517	9935	10201	8898	3296	8296	4229	1997	5524	7259	6353	6448	11815	10541	4589	8852	10192	3585	7260	1241	8565	2394	Lipid	0.08695652	1.5652174	0.0
26	C23 H36 O2	345.2788	345.27917	-0.02996312	345.2788	13873	14403	17266	11026	6118	6163	138649	7199	6767	3230	19740	6099	0	33450	13510	10585	30304	0	11233	0	0	4432	7198	4709	14303	28879	132619	40938	11763	17697	6064	17091	8096	6385	2057	23445	7118	12367	31261	3397	11608	11478	0	0	0	0	9485	0	9878	9381	13564	14334	11348	0	7163	9346	14856	14771	6480	15745	23481	8268	11466	6574	35830	15053	32922	33194	16200	7136	10762	0	5161	19816	15234	12991	0	8451	14320	36046	5903	24907	29272	24769	9709	14730	40027	7923	12826	33518	22342	21006	7690	11820	5337	0	13169	17696	14001	7554	11964	16513	5968	16212	11825	5924	9635	0	16178	2324	Lipid	0.08695652	1.5652174	0.0
24	C23 H36 O2	345.2788	345.27914	0.055437937	345.27884	5136	5056	3432	4467	2084	0	55901	4600	1511	1372	2852	2722	0	11303	3843	6757	23544	0	2184	0	0	0	0	0	4740	4123	54272	6378	5063	6176	2880	6099	4360	2458	0	5945	2069	3135	25819	0	2895	4791	0	0	0	0	2201	0	3808	2684	3674	5133	4908	0	2403	3729	3117	4113	1038	5514	5968	1414	4278	0	12831	4022	11276	23025	1875	1713	3994	0	2048	5138	11430	4948	0	1931	4939	9822	3351	8874	11605	12781	0	4637	15471	2677	5098	14282	7174	4429	3244	0	1850	0	4397	5000	4197	2540	0	9843	2423	4101	2575	1571	4289	0	5495	1771	Lipid	0.08695652	1.5652174	0.0
26	C16 H11 O8 N1	346.05576	346.05606	0.030419037	346.05576	3929	3165	4152	4416	2758	4577	0	0	4007	6076	0	0	5784	3999	0	0	0	7959	4017	0	6226	16742	0	0	0	0	0	0	0	0	0	0	2894	0	6597	0	1673	0	0	5783	14020	0	0	0	0	0	6207	0	0	0	4385	2331	4660	0	5343	0	0	1786	2381	3844	0	4048	7944	5804	0	6576	0	3701	0	0	0	0	0	0	0	0	0	0	4059	8668	3374	0	0	0	0	0	2653	3638	4311	2835	2481	3765	0	14056	22286	0	3599	0	2352	3591	0	0	0	0	0	2475	0	0	2771	7811	Phytochemical	0.5	0.6875	0.0625
16	C16 H11 O8 N1	346.05576	346.0562	0.12774988	346.0558	7009	12946	10306	11712	16778	14542	6388	3825	20772	20357	10612	6833	40435	8207	6985	7747	6658	25839	28735	4258	12486	35150	9278	6166	2642	0	4050	3849	3108	3823	3566	0	9636	1569	19426	2755	5991	4290	4599	11142	22491	7496	732	0	0	6246	11537	760	3570	4311	12998	13576	12759	0	20377	18349	9699	6237	3290	6361	0	11613	38010	25697	8126	30243	11617	7319	0	0	3516	2618	2423	0	4628	3597	0	2605	11592	20759	9584	6721	1790	4897	25516	8678	13992	15200	15022	0	6914	7567	0	34164	30632	0	10807	10513	11465	23563	18107	10106	3511	2217	0	0	11370	0	4270	39589	Phytochemical	0.5	0.6875	0.0625
18	C16 H11 O8 N1	346.05576	346.05618	0.046377596	346.05576	15745	13617	9154	9877	11230	4260	3865	2585	17250	14412	5088	5489	24643	6156	4701	6315	5920	19476	21182	2223	6889	24753	7590	7790	2713	0	2515	2222	0	2829	4926	3759	8668	0	15411	2671	9509	6168	6022	11583	25917	7440	935	354	329	5774	13983	668	3797	0	10610	9437	11696	321	22331	10373	8380	5984	2258	5443	6563	7150	23966	19816	7319	25803	8300	6594	1197	0	4738	4587	1353	1647	3838	4500	315	1632	16354	21290	8779	6765	2728	5878	16359	7176	11164	10546	12086	14483	0	5353	17071	30049	24374	0	14294	8317	7920	18159	14258	4811	3179	4068	5112	7256	7882	0	3210	26536	Phytochemical	0.5	0.6875	0.0625
14	C16 H11 O8 N1	346.05576	346.05624	0.15838854	346.0558	8120	9427	6673	13215	18478	11137	3460	2062	25542	16649	11565	5246	29799	6810	5684	4476	6218	25966	26048	7187	11139	31288	8464	5881	2041	0	2485	0	2299	1739	3326	0	7927	2806	23964	0	8666	6753	7280	9283	18903	10272	0	0	0	5476	8582	0	2361	1860	12055	11738	13413	0	19877	17832	9596	8619	6435	8874	0	10467	38360	27907	9019	25969	13293	6670	0	1714	4689	1254	0	0	3377	1940	0	5640	14156	15029	7670	5862	1068	2970	21312	8409	10424	12402	13157	14367	0	3609	16396	30354	24928	0	14997	11061	11496	24631	20997	6149	3732	2334	0	9938	13632	0	3505	35124	Phytochemical	0.5	0.6875	0.0625
20	C16 H11 O8 N1	346.05576	346.05618	0.08576829	346.0558	5858	7220	6080	6423	12281	7224	2861	3747	5882	9466	4279	3730	15022	4446	2186	2680	4966	14310	11536	2993	6783	19064	3375	5679	2371	1733	1547	1614	0	2425	1881	0	5527	0	9565	0	4598	3712	5759	8990	16703	4320	1135	0	444	3795	13642	1287	2320	0	6310	10022	7749	566	11126	6108	5337	4492	2651	4436	3131	3916	15159	13607	4431	15020	4936	5857	1692	0	0	0	0	0	2570	0	472	2538	6026	16414	6964	2729	1869	0	13774	5774	5187	7779	8149	12959	6023	3453	9458	26529	19448	0	8596	6586	6714	11823	7418	5829	2465	3226	5141	2962	10931	598	2479	15857	Phytochemical	0.5	0.6875	0.0625
12	C16 H11 O8 N1	346.05576	346.05627	0.09645992	346.0558	6493	4476	5412	7143	11655	6005	0	1159	18914	7527	6645	2619	26075	5210	3349	1604	4207	18432	20697	3080	8535	20300	4616	3119	1434	0	0	0	0	1068	1998	0	3602	0	15166	0	4397	2371	2511	7390	14473	6200	0	0	0	2008	7149	0	2696	2333	8898	8059	6787	0	17729	15315	8082	3045	0	0	0	4464	36368	19554	3900	22250	7305	0	0	0	3872	1471	0	0	2172	0	0	2144	6514	0	5885	3083	936	0	10400	5917	5452	8823	9893	17513	0	2552	9623	18283	7327	0	5482	4493	8669	13792	15818	0	3350	0	0	7356	10250	0	2165	33346	Phytochemical	0.5	0.6875	0.0625
10	C16 H11 O8 N1	346.05576	346.05634	0.13194756	346.0558	4016	1976	3812	2029	7426	996	0	0	9476	3752	1463	939	15120	2803	2031	0	0	6044	6637	2037	3634	6870	2018	1400	0	0	0	0	0	0	0	0	2808	0	4833	0	1571	1017	0	0	4605	3301	0	0	0	0	3095	0	0	0	2716	2632	3831	0	9542	8707	2543	1739	0	2252	0	2617	20392	11194	2204	11462	3463	1792	0	0	0	0	0	0	0	0	0	852	3067	0	2637	0	0	0	6511	2518	3001	4996	3419	3830	0	0	3006	6569	4722	0	1816	3427	5872	10882	8192	2971	0	0	0	1515	5272	0	0	17859	Phytochemical	0.5	0.6875	0.0625
8	C13 H15 O10 N1	346.07687	346.07748	0.16749547	346.07693	2324	3686	0	2591	9060	3616	0	1181	13931	0	1806	2149	22743	1175	0	0	2228	10685	13520	0	2998	2208	2393	0	0	0	856	0	0	1282	1746	0	986	868	1101	938	2542	1027	0	0	2323	6608	0	0	0	0	0	0	0	1058	1964	2297	6920	0	14792	16437	4976	0	0	1261	0	0	23565	20327	3134	13082	4224	2358	0	0	0	0	1970	0	1035	734	0	1488	0	0	847	0	0	0	10537	0	896	7656	4506	0	0	0	0	0	1493	0	2542	5492	9118	13967	15639	2438	1534	0	0	0	7884	0	0	24047	Phytochemical	0.7692308	1.1538461	0.07692308
12	C13 H15 O10 N1	346.07687	346.0774	0.15483935	346.07693	3286	2781	1749	2075	10704	6664	0	0	14413	0	0	0	24802	3197	1517	0	2972	12746	11965	0	3360	0	2302	0	0	0	0	0	0	0	0	0	2657	0	0	0	2137	0	0	0	0	4909	0	0	0	0	0	0	0	1334	2474	2367	5428	0	20300	20513	3298	0	0	0	0	0	24282	20209	3569	13585	4358	0	0	0	0	0	0	0	0	0	0	0	1862	0	3816	0	0	0	11226	2798	4472	5249	3670	0	0	0	0	0	0	0	3981	0	10555	11333	16598	2658	1477	0	0	0	10718	0	0	24887	Phytochemical	0.7692308	1.1538461	0.07692308
10	C13 H15 O10 N1	346.07687	346.07745	0.20385645	346.07693	2555	2554	2933	3812	15410	6041	0	0	17376	0	2792	1647	29685	3268	0	2211	1932	17085	15857	1497	3790	0	3741	0	0	0	0	0	0	0	1004	0	4217	906	0	0	1845	1378	1155	0	0	7136	0	0	0	0	0	0	0	0	0	2798	6750	0	20571	25782	4821	0	0	0	0	0	30550	23281	5952	15489	6585	0	0	0	0	0	0	1179	2379	0	0	792	0	0	960	601	0	0	19048	4014	0	7468	5245	0	0	3665	0	1849	1657	0	3172	2904	12352	15441	19669	1720	2129	0	0	0	11638	0	0	34141	Phytochemical	0.7692308	1.1538461	0.07692308
18	C17 H15 O7 N1	346.09213	346.09256	0.09883393	346.09216	62713	57253	50796	51356	53478	35239	20098	22584	41078	185039	100839	17660	84969	30220	24454	35656	19446	76235	74210	82003	120208	155970	25636	40006	20404	67172	15783	64355	15750	11600	11674	17960	31684	20304	176600	13882	44205	17546	25929	135068	144699	28777	2710	451	635	65590	91646	1161	26152	12901	52775	51074	39726	887	64369	42743	27170	40708	21142	25284	30623	87669	92354	50127	23806	70591	36723	20297	89875	88118	136753	16204	12799	7301	11507	13532	754	11358	47228	146856	36509	48204	27387	69640	53080	34995	38950	35244	36924	49121	54117	65380	53433	171371	229159	864	61456	41920	34262	53275	44831	33277	16683	31847	44501	32097	31888	669	25349	90852	Phytochemical	0.4117647	0.88235295	0.05882353
22	C17 H15 O7 N1	346.09213	346.09256	0.08848678	346.09216	8415	15192	11522	12739	10207	8918	2578	4547	13969	36040	19438	3674	12846	5338	5167	7204	5228	17225	13822	14982	29787	38263	6885	7645	5241	8475	4541	8900	4479	1999	3769	0	6280	2676	31639	1720	8788	4243	7056	25353	28862	4263	0	0	592	19389	25510	0	4454	3221	9616	13778	9233	948	17430	10708	5414	6515	5851	8071	6677	20838	17928	13919	6601	15098	9024	5727	14918	14641	23455	3144	2351	1237	1130	2458	608	2413	7284	41122	9408	13784	4967	14668	17731	9670	8873	7510	10855	13146	12027	15336	8716	51200	60245	0	12088	10908	7106	11176	9309	8910	5472	5373	16092	9056	5371	0	4107	24427	Phytochemical	0.4117647	0.88235295	0.05882353
14	C17 H15 O7 N1	346.09213	346.09265	0.12916791	346.09216	85974	85510	95046	88687	83668	49686	32393	37390	92631	259163	182465	26718	129570	42037	41911	52450	42321	111777	118008	164532	225067	251998	40637	53076	39930	126057	31471	126610	31219	27855	24757	32516	66796	26641	353597	26447	52941	37013	54758	163751	235635	44890	0	0	331	96211	137032	561	38572	29492	86525	86432	62042	565	104084	74836	43269	63746	56519	49841	47373	132730	160816	91931	34699	98320	54895	51766	178150	199825	260878	27914	25901	21389	29758	26053	473	30499	67982	177615	46565	75266	43595	100003	88151	47121	71600	55711	52195	102160	80648	93567	108712	227483	258237	841	95741	79375	54004	91784	81808	51079	28165	59221	88217	47865	55078	395	40368	127159	Phytochemical	0.4117647	0.88235295	0.05882353
16	C17 H15 O7 N1	346.09213	346.09262	0.12018008	346.09216	77528	85769	84439	96791	84392	48099	30925	24496	81053	263060	164811	30593	129220	44063	32848	48308	39727	103201	111000	137499	196602	218271	40824	52050	31950	106460	27710	90415	27656	23617	28154	32978	58494	23960	295678	31708	59389	31362	47650	170163	208577	37224	3163	520	477	90879	127171	785	40747	26442	87920	89328	64737	855	78611	65997	38761	54456	36838	45493	45272	110018	132763	79625	34140	110090	54519	44808	154648	162117	203935	25417	19022	8924	29734	26478	429	23319	59705	197852	42766	79079	37846	110393	86289	43341	63221	51053	47717	93622	76989	100710	80737	225821	288696	1081	87785	76992	50992	71430	68862	39802	23931	47634	58097	50005	57495	664	39239	136768	Phytochemical	0.4117647	0.88235295	0.05882353
26	C17 H15 O7 N1	346.09213	346.09244	0.03234472	346.09213	3706	3642	2687	5815	2049	2768	0	0	2694	13649	4688	0	0	0	0	0	0	5573	6136	0	6635	16186	0	0	0	0	0	2437	0	0	2655	0	1809	2276	9595	0	0	0	0	7379	10592	0	0	0	0	0	6487	0	2058	0	3305	4102	4437	0	0	0	0	2352	0	3245	0	5747	3796	4048	0	3842	0	3855	5246	2480	6103	0	0	0	0	0	0	0	2930	15153	0	2858	0	0	0	0	3723	2600	2409	2870	0	4171	6672	11283	20428	0	3305	0	2607	1867	0	0	0	0	0	4580	0	0	0	5068	Phytochemical	0.4117647	0.88235295	0.05882353
10	C17 H15 O7 N1	346.09213	346.09268	0.1439251	346.09216	50596	46063	41375	44406	42935	26586	15896	19298	55084	132544	88537	20627	87449	23805	16269	30075	21908	55576	63634	79816	124501	111337	24876	36828	12858	59026	16323	48818	14631	15894	20915	21443	29867	14620	151757	14542	29354	17575	28281	79044	127247	24140	828	0	0	48360	73029	0	19393	15993	52953	51124	35910	0	61817	48594	22355	33061	22880	32191	27684	63874	86068	58300	18866	57800	25244	33281	120392	106064	183560	13618	15895	10693	15410	14096	0	12773	41797	68511	28043	39819	18693	35994	52888	25007	37014	27431	23257	45942	26151	36239	47940	86981	106327	0	46145	47246	39649	58180	54554	29725	17021	29254	31716	29455	33976	0	18856	92730	Phytochemical	0.4117647	0.88235295	0.05882353
8	C17 H15 O7 N1	346.09213	346.0927	0.10313185	346.09216	31807	34577	25473	31306	31725	20526	9086	16820	39784	77254	52188	14737	64018	17475	13719	20586	17308	37763	47087	56139	78656	70447	17327	20101	8065	26418	10940	28743	10953	11014	12051	12526	24244	11462	105021	7693	17116	14477	18683	51932	86504	18897	0	0	0	28005	54361	0	17560	8494	28747	37014	23882	0	48649	32844	17769	18233	13454	20576	22540	40527	65320	41271	10831	42191	18811	23280	68110	55579	112261	14923	10478	7283	9908	10830	0	11416	25283	29320	19124	24431	10868	22530	36060	10552	26024	21569	22108	34299	0	31576	35011	65587	67652	0	32408	30629	27048	50277	42176	17613	12896	23707	20888	26460	26477	0	11450	60192	Phytochemical	0.4117647	0.88235295	0.05882353
6	C17 H15 O7 N1	346.09213	346.09274	0.12753575	346.09216	10423	11081	7770	9405	14315	6244	2427	4147	17758	27860	27710	4559	26226	5264	4452	7011	3107	15803	18394	15547	29400	18795	6216	4325	1732	6568	3588	8646	3444	2830	3320	2701	5511	2840	32233	2351	4917	3554	5923	9612	27267	5715	0	0	0	8109	20826	0	4111	4261	13362	11012	9943	0	18510	16679	5876	5454	4031	6687	7670	12011	26653	15973	4976	17833	10088	6950	21092	16933	39777	3735	1462	1053	2161	3134	0	3245	8347	11176	5644	6138	3087	5791	15828	5989	9273	8484	6766	10816	0	8054	10326	18510	19546	0	10891	13145	10952	21921	18165	7051	4347	4556	7540	4697	12040	0	3126	28428	Phytochemical	0.4117647	0.88235295	0.05882353
24	C17 H15 O7 N1	346.09213	346.09253	0.075391054	346.09216	5941	5279	3706	5052	4787	3838	0	1944	5786	17774	7698	1820	6052	3041	1696	3522	3796	8156	5537	3727	10188	20923	5641	3575	0	2843	0	4517	1890	0	2111	1657	2678	1463	10223	0	0	2678	5732	9756	10918	3517	0	0	0	6217	11870	0	2402	1764	7433	5452	5633	0	5327	3087	3187	3701	1876	2233	2289	9619	8614	8902	2129	5020	3522	1629	5370	8972	7317	1100	1875	0	0	0	0	2042	4969	16983	3033	5963	1520	4639	3877	3248	4214	5420	6068	6637	2623	2707	7128	24283	33508	0	5109	3927	3245	3182	3145	4191	1726	4005	4757	6075	1960	0	2622	10044	Phytochemical	0.4117647	0.88235295	0.05882353
12	C17 H15 O7 N1	346.09213	346.09268	0.14123128	346.09216	69035	64111	66480	69520	57832	34293	25538	32974	75297	191735	128901	22625	101146	26736	26033	37917	41297	84001	89106	121101	164647	188712	41997	36686	25739	93557	23899	79529	24496	21942	20575	23931	50822	22823	258955	23139	34971	32702	45640	117771	197447	33239	1933	0	373	78406	117004	413	26277	23735	66114	64985	50771	384	92180	60966	31400	42148	34415	56818	39384	111280	124722	71614	24736	89220	41626	45357	174696	167195	248267	20508	19206	15183	26102	22299	241	20623	57250	110291	37179	57727	27902	71524	68318	33198	61643	37909	37474	88577	47255	67560	70041	180402	144873	0	70991	67475	55735	68363	66337	40687	22936	39322	49697	39260	50260	0	27919	127466	Phytochemical	0.4117647	0.88235295	0.05882353
14	C14 H19 O7 N1 S1	346.0955	346.09598	0.046394654	346.09552	13608	16878	13469	15596	13564	9024	5625	4562	12022	35496	12488	4782	16692	5476	4991	6501	7665	20547	13741	23168	29379	45229	5258	7794	9448	15264	5853	18579	8474	7438	8496	6717	6483	6467	50835	5930	8626	6330	7597	43292	23805	7962	0	0	0	22881	10636	0	6793	1806	14020	14415	8293	0	13572	12473	4459	14904	25350	9841	0	35431	10201	7426	3515	13232	5624	8310	0	18842	10852	5226	4726	3706	5494	6636	0	4142	5050	0	2979	10646	11043	15446	7740	6426	6872	6089	7621	9748	46940	64537	13599	26746	39735	0	12097	16165	6564	8594	11409	8145	2609	17950	16754	9737	11111	0	6516	15576	Organosulfur	0.5	1.3571428	0.071428575
16	C14 H19 O7 N1 S1	346.0955	346.09595	0.036623925	346.09552	17789	21417	19484	22141	9398	11482	10006	26477	7506	23444	12121	18032	11009	6940	11080	35230	44612	13556	10037	13476	13042	27201	9462	23538	7556	8417	10574	11210	51017	37153	29247	47881	22955	23801	19594	49712	15736	9721	42470	33918	13269	14462	293	0	0	13691	7762	0	48417	22103	24686	15127	7153	0	10652	5351	4277	40657	20586	7966	31864	21430	4869	6863	4025	5939	16802	47415	11740	14707	9973	8516	18165	25294	85068	34683	0	16786	10439	14821	5302	10228	7516	10179	7180	4408	7145	10842	14805	0	29541	49966	0	20137	34313	0	16518	16280	7048	3626	3770	25862	12578	15410	7271	21756	5007	0	9331	7458	Organosulfur	0.5	1.3571428	0.071428575
12	C14 H19 O7 N1 S1	346.0955	346.096	0.064353116	346.09552	11454	7800	9515	12028	10441	8556	2782	3259	10042	26131	8830	3867	15680	4226	5916	4923	4263	13582	11871	18570	17817	33486	5932	6855	6332	9071	2476	13592	6050	3387	5923	4613	9659	5544	39664	4832	7010	4701	7827	28960	21849	5737	0	0	0	13319	19868	0	6886	2913	9782	6054	10228	0	12697	7718	4815	8687	9135	14255	0	12453	8741	6453	2378	9786	6043	8892	0	11906	14260	4387	4356	1815	3204	2522	0	2933	4800	19418	3541	12265	7994	11345	6907	4817	7033	7008	9751	8876	24471	48426	10578	25204	29720	0	7943	10895	5400	7815	7992	9580	2903	11500	0	8564	9376	0	4100	14156	Organosulfur	0.5	1.3571428	0.071428575
10	C14 H19 O7 N1 S1	346.0955	346.09604	0.12360133	346.09555	6953	6413	6807	7066	8717	5486	2784	5177	9398	9416	7165	2924	9864	3033	3128	6268	7029	11109	9410	11245	13474	18163	4330	5435	4434	4197	3395	5170	5553	3208	6058	4293	7532	5098	13748	4253	8385	3446	7343	10830	11306	4583	0	0	0	10409	11403	0	5044	3654	10133	7289	6732	0	12510	4812	3541	6754	9863	7775	10036	12218	5085	6502	3469	7398	6421	7913	0	5440	5755	3048	4654	3176	3996	3508	0	2448	3840	5088	3895	6140	6772	6901	9496	3567	5886	5528	5849	6854	13094	25850	12403	10557	17536	0	7296	7748	5034	6229	6564	6258	2679	11315	0	10050	5758	0	3106	12641	Organosulfur	0.5	1.3571428	0.071428575
6	C16 H15 O6 N3	346.10336	346.10397	0.1379879	346.10342	13313	16730	13120	14065	11481	6764	4839	10320	14870	19551	13315	7566	14850	5616	8194	15014	10216	13462	17837	13666	26504	22524	9976	15974	4631	6911	5021	6016	5797	5739	9423	8612	12790	7149	22897	5834	11107	8207	14107	17744	34053	0	0	0	0	10668	18937	0	10233	7231	12827	13380	10619	0	14756	8271	5289	10947	6675	0	11521	11299	20056	11873	5754	13821	9003	18768	15245	15659	29992	7831	5822	4603	7236	7318	0	6587	11197	9543	8073	7720	5166	6394	13224	7400	13805	11137	9209	28843	7125	12195	26450	0	18238	0	13241	12892	7636	14403	11153	13322	6800	12384	7229	12944	9151	0	9593	24334	Peptide	0.375	0.9375	0.1875
10	C16 H15 O6 N3	346.10336	346.1039	0.17010741	346.10342	0	23618	16554	0	12922	12370	11442	14826	15765	27539	19096	14853	18554	6898	10224	0	0	18878	27674	0	31098	0	16004	25062	11012	16025	11633	10673	10015	8220	7813	10696	16087	10383	32203	8911	19415	13625	0	0	45874	10975	0	0	0	20220	29340	0	14005	0	22983	21318	12598	0	20681	10275	10536	21371	11378	0	16255	0	22191	18154	9006	23595	0	29431	22320	24358	32396	10617	11668	8036	11178	11399	0	0	0	33973	18802	17551	9962	12597	17285	11217	25331	14728	13918	0	16885	24373	42443	39359	0	0	18645	19946	13126	14053	15795	0	0	18323	14438	23480	11628	0	0	24482	Peptide	0.375	0.9375	0.1875
10	C14 H19 O9 N1	346.11325	346.11377	0.08186483	346.11328	112950	110643	102386	106852	185714	123823	43971	80727	265956	144116	135872	80596	447098	70717	82992	86484	102531	377241	317435	157476	246398	122310	109976	72876	28106	29046	35920	48865	77819	75756	63698	73165	115359	60563	174722	78638	116663	55910	82230	108775	160847	146370	7051	651	750	67770	117213	705	59471	72695	110412	108334	157489	899	472630	284266	89042	67146	80636	89287	86082	103885	332373	362932	87145	226303	117095	86043	151590	48638	105952	61684	73573	71111	76819	58128	524	59830	63106	75262	56462	46549	33217	22869	240145	109902	64119	118115	119307	58861	44922	79276	97464	114880	121065	1181	114278	142164	170508	177902	221101	154043	64415	102503	68314	70200	226037	702	31777	420445	Unclassified	0.64285713	1.3571428	0.071428575
2	C14 H19 O9 N1	346.11325	346.11395	0.1358617	346.1133	5201	3934	3616	4485	7756	0	878	4510	7762	2586	2194	3140	15441	4005	2870	564	1911	12658	11458	3099	6893	6942	4060	3042	0	0	0	0	5639	2358	5609	4452	7988	7451	5111	4017	6054	1408	2311	3874	1973	5381	0	0	0	2595	1937	0	4799	2523	4723	4993	7421	0	8984	5916	2778	5530	2280	1866	975	1357	19137	9602	0	12279	6757	1927	0	1451	1147	6367	7068	2957	0	3382	0	2206	1728	0	1666	0	914	627	5681	3119	2064	7112	6871	0	2032	3144	3832	1587	0	0	4401	5096	3760	6593	7392	4898	2729	3707	1301	7726	3927	0	1476	20380	Unclassified	0.64285713	1.3571428	0.071428575
14	C14 H19 O9 N1	346.11325	346.11377	0.120848276	346.1133	52563	53421	52478	57281	100506	85536	21107	53239	161515	39364	54693	45891	235175	52621	61524	51295	70225	206587	168869	69302	136992	60448	80758	42331	18018	22987	24639	17903	43583	40941	33102	38571	68127	34237	75343	44113	51546	45598	43275	45963	97456	89698	3917	881	1086	45971	91737	807	30947	45714	53548	50712	92406	791	281120	147616	58687	40925	53187	49499	34821	96507	184820	183511	59899	114733	74744	42652	150855	44011	88789	37887	35431	44206	51743	34193	430	48574	44917	46969	40856	38365	15199	20338	176027	73251	46409	67973	79638	41699	18248	39459	59136	64796	47044	1098	61607	83532	106495	114159	125944	78945	41819	49114	51700	44607	126294	817	17038	185316	Unclassified	0.64285713	1.3571428	0.071428575
4	C14 H19 O9 N1	346.11325	346.11392	0.088702224	346.11328	8945	8774	7723	7975	12633	23839	2509	8238	13382	5985	6409	6394	24811	6087	4418	8411	10982	20613	18275	6673	10289	9407	8684	7314	1959	2265	3202	0	6819	7841	5357	4781	9768	6495	8208	6030	6746	4342	11325	4545	7050	11644	0	0	466	4538	6170	0	5248	6077	8432	6796	10067	391	21471	21013	7413	7253	6976	7259	6798	3894	23897	19140	9298	15576	8118	9999	4066	2413	0	6103	5571	6529	2456	4018	0	4578	5117	0	3700	2752	2087	1537	21941	8703	3850	10564	10654	6162	2272	5930	10702	5210	4768	0	5956	10046	12515	21703	23469	12196	3832	7732	0	6372	13639	0	2766	27280	Unclassified	0.64285713	1.3571428	0.071428575
16	C14 H19 O9 N1	346.11325	346.11374	0.1196716	346.1133	30576	28262	27635	29816	53735	36716	14036	27889	75823	23691	25856	31661	101410	26953	33191	30955	45212	86619	83560	37464	51191	26553	43780	28502	8261	9740	10283	12268	24115	21840	18444	20789	32973	20065	27626	22658	35128	20253	22237	23751	49461	48819	2999	887	1464	25805	44257	1767	19427	24399	31895	36146	50756	1237	101599	72626	33648	17014	23695	27313	27689	44393	81496	92265	28111	65057	37520	21306	69734	12599	41239	24988	21430	19539	30139	16904	1225	23688	30677	28191	24024	18923	12065	9014	83979	33158	25135	39872	36396	0	6269	17690	45043	25669	24959	1113	31843	45275	47738	48618	62650	42097	21667	17137	20138	29454	61357	1250	10940	93522	Unclassified	0.64285713	1.3571428	0.071428575
18	C18 H19 O6 N1	346.1285	346.12897	0.107764974	346.12854	122093	121779	117800	110302	97650	77629	41872	64605	81624	326935	211533	42040	113267	57249	63478	84893	62442	121997	136244	249980	276927	232003	59339	93708	60186	253867	44560	186407	78924	57459	60883	61793	93223	67517	309023	55741	102599	47860	70359	247914	272466	58329	4482	1004	1653	136308	152883	1664	74833	52909	117848	116776	76695	1334	98167	73991	48770	90861	66706	67853	84862	172899	122272	82800	40161	118779	78812	70110	268970	362029	383248	70905	53231	40379	54483	58777	1391	46127	80574	160216	65847	106156	69345	157818	89777	56712	77656	82316	67490	106958	138496	144271	135582	171022	264292	2609	114568	113746	64222	80097	71087	90238	44836	95124	73271	92585	59785	1143	65898	137231	Phytochemical	0.33333334	1.0555556	0.055555556
8	C18 H19 O6 N1	346.1285	346.1291	0.07250983	346.12854	81499	95921	71879	89488	55129	42453	34080	54102	64430	243080	139525	36922	92421	32716	38880	61440	52405	57890	78379	208305	268163	149710	47513	64775	27548	209586	32658	110874	45629	41556	40303	47887	62731	41077	280845	45760	53494	34184	57483	179297	236150	38247	796	0	513	108700	144463	513	52520	47610	81791	91110	43042	490	75818	48100	30424	52983	33837	61423	56026	118311	82394	67972	23550	76081	46948	61649	268144	314703	447571	43048	40484	34527	34272	48291	470	31790	56433	81845	42009	66082	39808	98781	54296	30200	54747	31825	39480	79615	61175	81899	88333	126872	165131	670	88264	82945	50512	66816	55383	58303	31068	73320	45073	55506	44207	321	36951	82508	Phytochemical	0.33333334	1.0555556	0.055555556
6	C18 H19 O6 N1	346.1285	346.12912	0.112871386	346.12854	60049	61900	55874	56381	42142	29527	23916	39088	51609	172029	91158	21101	67155	26232	27722	44185	29418	51627	63708	123747	193063	96351	33799	41412	20090	128923	18791	62083	31009	25415	33130	33257	42121	28895	180321	31373	38330	21602	37480	98649	140867	24996	1102	393	345	78551	114327	466	39938	31356	59627	54447	32217	527	56032	39586	18872	41439	23363	43782	43256	72438	58927	43668	16800	51394	35172	37646	161386	199859	309437	30094	33282	26182	18881	25799	368	24071	32664	51769	30389	45758	26059	53272	41866	25842	42795	29733	29946	51580	38177	53943	68689	82057	131542	660	57956	54318	30808	39342	41074	42536	19987	47132	42992	37070	29855	490	20749	64337	Phytochemical	0.33333334	1.0555556	0.055555556
10	C18 H19 O6 N1	346.1285	346.12903	0.084180996	346.12854	123622	108843	104980	103508	75151	59524	43425	74077	78341	308967	166890	49165	109436	53150	49961	77572	56781	86206	101343	273347	331614	181450	57697	89027	47383	288324	53270	126601	66698	52143	54506	69102	87453	53272	340924	63613	85655	45669	76281	230278	275099	41113	2136	702	534	120342	149493	619	73040	62657	112450	113343	57770	858	89513	70522	32327	88895	52949	78376	88184	140960	92705	78108	32762	94620	52268	78964	328045	404620	492870	59629	55871	55592	56279	57633	0	45245	71722	100721	56742	96578	56851	128624	75364	40640	72109	49512	55262	104166	102064	99387	115965	137787	208040	815	100395	101071	61297	73564	65769	76557	45118	96528	69656	73996	55835	526	54717	102870	Phytochemical	0.33333334	1.0555556	0.055555556
16	C18 H19 O6 N1	346.1285	346.129	0.11235413	346.12854	161488	176572	154872	162264	118879	94304	69978	97820	119022	452377	251640	63311	144399	73907	74499	118286	89703	151141	168018	386300	425801	309681	99830	125406	80435	422451	64317	222013	94211	78085	88180	89527	130237	71069	523227	75090	137316	68334	105584	398362	372659	76609	3844	1231	1412	183010	209795	1488	112338	83032	179166	165242	93133	1699	112049	79947	64409	125829	91609	115372	123995	232337	160071	99079	52395	137341	92622	97653	391623	615639	643405	79025	75043	63316	70266	86887	792	56973	107029	240219	71001	138883	100131	247483	103361	75063	120597	99499	98395	168368	170607	203876	169001	263221	371923	1806	165388	165044	85629	83392	93901	123071	62296	112605	107250	135360	81548	1396	101835	166689	Phytochemical	0.33333334	1.0555556	0.055555556
12	C18 H19 O6 N1	346.1285	346.12903	0.08655865	346.12854	135479	133894	129302	131857	90813	71654	83585	96009	102883	325843	216478	57314	97801	54259	67277	99926	92019	112215	141620	317107	426277	239080	78559	104021	69268	362550	59204	205071	70616	72174	81603	81286	111628	76480	418312	65613	100848	67353	92567	282506	395643	62203	2256	720	900	174857	221653	586	93029	76738	154987	129796	85389	753	114446	71683	54302	103379	68669	106217	71644	211722	139381	98277	45459	112005	72786	93097	428882	542701	646733	77772	66854	59208	67651	70518	702	62278	91005	144724	78008	121572	72148	167696	84747	54722	95015	57490	69595	158913	121834	145190	141597	203264	237366	1180	125679	141885	81351	78390	75123	103734	51930	108681	95783	91490	64954	820	73073	134581	Phytochemical	0.33333334	1.0555556	0.055555556
4	C18 H19 O6 N1	346.1285	346.12915	0.091498904	346.12854	30904	28053	30236	27096	36424	19404	9887	28423	22341	51809	32396	12910	32313	13529	14717	21816	28607	26984	32852	47452	69301	46298	17269	17469	10826	57348	11109	20560	43171	15205	17747	32920	19530	35176	70196	35205	19515	12595	33643	39916	56831	20084	892	473	419	33198	61123	549	52816	27389	28427	24868	19776	541	29766	20549	11922	16949	11046	23467	21364	30429	30405	21433	9235	27672	20830	41702	74991	65736	104997	14673	16744	11703	31668	15021	329	11314	19488	21198	17639	26247	11834	20483	35999	15731	16810	15659	21622	20229	16219	18375	24123	32457	52513	1504	23192	28510	25954	25617	24030	18550	10096	38143	26079	14133	24074	352	11328	30141	Phytochemical	0.33333334	1.0555556	0.055555556
20	C18 H19 O6 N1	346.1285	346.12894	0.08912382	346.12854	57962	61594	62393	50091	54510	41733	21325	35215	37912	160561	106221	24398	67122	29661	26955	33376	30075	54992	72905	112980	136580	108149	29578	45046	26023	101942	18972	101040	37006	29190	25880	28621	52790	31729	160741	26070	51119	20210	33151	139254	136868	36789	3928	1054	1218	67927	80481	1600	38944	26087	56944	63868	46657	1542	46353	34773	30467	47041	31671	37562	47220	97834	64991	44234	21837	64461	37379	32037	129066	150590	200691	30582	27685	19983	23152	29017	1237	24886	39843	96494	29001	49882	35940	95904	42657	34411	51943	41104	35913	50154	70080	70949	68184	113037	118078	1647	55795	56687	34446	42583	38339	38757	21534	43786	51296	36214	33690	1469	29865	74727	Phytochemical	0.33333334	1.0555556	0.055555556
22	C18 H19 O6 N1	346.1285	346.12897	0.10073448	346.12854	23711	23318	17034	21060	22794	17784	6689	11777	18822	67015	41958	8647	15353	10251	10829	13731	12219	27529	23494	42380	56410	39703	16302	19043	12141	42958	7844	40150	14436	11537	15680	12446	19467	10147	50566	7049	24327	10197	11154	47111	54897	13165	0	0	1587	26963	39681	0	13773	9760	25238	17310	20312	2086	16287	21317	11339	13279	14076	12556	13344	36948	23832	16862	6395	20829	15734	10187	47219	54400	79062	12411	12488	7482	7740	12208	1062	10461	17475	43247	13619	27245	12650	35212	18478	10242	20473	16858	12598	19840	21793	29669	22845	48724	54755	0	18897	28688	14588	22944	14414	18267	9531	20241	24527	12399	13155	0	12384	27766	Phytochemical	0.33333334	1.0555556	0.055555556
20	C15 H23 O6 N1 S1	346.1319	346.13232	0.06134112	346.1319	5367	6030	6678	4632	5008	4664	6288	6633	1891	6165	1880	4358	4676	5525	12322	9511	13080	7950	4220	8179	7835	6840	4661	6568	7093	3527	6430	4113	7931	7357	6888	5327	3485	5324	3831	11550	5035	15734	12335	5397	5662	3975	0	0	0	5154	3811	0	6027	6789	6807	5970	6743	0	2951	3763	6143	8879	6285	3688	5084	6176	1511	1456	4726	0	5105	12373	2760	0	2193	2868	3972	6862	20251	10591	0	3629	1694	3810	2412	1897	3772	0	4353	4214	12209	4167	3634	8245	13281	11911	4956	5186	8455	0	5529	7398	3271	0	2976	10625	5438	8618	4855	3035	6616	0	4753	5046	Organosulfur	0.4	1.5333333	0.06666667
18	C15 H23 O6 N1 S1	346.1319	346.13235	0.12964751	346.13193	5996	5811	5535	6991	8596	8089	4783	6474	3336	4654	3182	5118	6320	2661	6741	4713	7446	8530	5820	9223	7791	7363	2723	5116	6488	5654	6272	3858	7563	3501	4507	2636	9040	0	3628	4193	7070	2885	6245	7958	9170	8948	0	0	0	7690	6530	0	5423	5993	5979	5455	5479	0	2473	1997	3529	8443	7821	4289	6153	10446	3196	1605	3360	5746	6698	14333	7337	6737	5312	3400	2114	3095	4849	5996	0	1558	4988	8897	2070	3622	3190	5758	2748	2655	6242	6577	5830	14750	17751	24430	8166	7622	12312	0	8299	6946	4725	3207	1589	11448	1717	11384	5256	5668	4199	0	4673	4765	Organosulfur	0.4	1.5333333	0.06666667
16	C15 H23 O6 N1 S1	346.1319	346.13232	0.004121525	346.1319	7021	9038	6450	5453	8505	15542	3212	1741	3572	6585	5622	2091	3714	3404	1879	9114	4822	7574	11876	13264	10370	10005	4088	4157	4769	5161	2324	4946	2717	1542	2660	3353	6223	3836	7039	3784	6275	3153	5511	10179	9116	5781	0	0	0	8120	6709	0	6013	1758	4657	6366	4650	0	3836	5862	3082	6116	9229	5042	7670	8112	5569	2514	1867	7181	5853	11154	5613	6923	6828	2517	3863	3273	3354	3952	0	3755	4405	11685	1783	5184	6632	6231	5352	3828	5954	6606	4557	0	24234	20028	0	6698	16924	0	4800	10028	5463	3000	3934	6557	2174	7954	4468	0	6599	0	4630	6814	Organosulfur	0.4	1.5333333	0.06666667
22	C15 H23 O6 N1 S1	346.1319	346.1323	0.11887404	346.13193	4238	2924	1769	4318	2056	3184	11402	10750	2097	1961	1662	3839	0	4654	23131	13128	14117	3298	1872	0	1775	0	7131	4480	10142	0	8552	2772	7609	8997	9369	6921	2680	7541	0	12051	2344	15846	10675	2505	0	3033	0	0	0	2299	2324	0	6583	10975	4918	3112	2434	0	0	0	3965	8460	2273	1857	8509	2122	2346	0	3220	2298	4080	11131	1954	1958	0	1651	5961	13582	26643	6873	0	4821	3436	0	2360	1945	1086	2119	3614	1588	10589	2130	3666	6834	2518	0	3916	0	0	0	3071	2423	1661	0	0	7021	4948	3799	1307	3558	3236	0	8924	0	Organosulfur	0.4	1.5333333	0.06666667
12	C17 H19 O5 N3	346.13974	346.14032	0.098907694	346.13977	60228	65438	84622	61166	39046	42240	76840	94750	36880	68628	41154	56932	24124	22698	60814	2382	113808	55536	64116	84286	83442	142434	73216	93618	0	48188	54586	78554	76550	58524	73398	68756	101346	63970	76058	67984	86784	63815	114596	94786	134442	35368	1006	0	0	93376	81326	0	80812	64181	85508	63946	51564	0	32400	21158	36212	96886	57034	85494	75642	59266	32302	35768	29090	42570	37166	127044	56092	87250	84900	71696	53894	50434	65644	56034	0	57132	86548	48992	67910	62830	65470	60418	25788	30042	93644	51520	52110	220100	117278	122890	0	81520	71030	0	70896	73606	33926	25146	25060	69210	53834	59022	0	0	29912	0	95006	42664	Peptide	0.29411766	1.117647	0.1764706
10	C17 H19 O5 N3	346.13974	346.1403	0.09883622	346.13977	105996	91574	89644	92260	41752	42818	72724	109248	39240	114940	59446	70453	39028	28288	64054	109234	112093	55720	68210	140410	119724	141542	74836	134132	71316	60540	66288	61640	89978	75338	78194	102412	111248	91564	103610	73938	118386	71226	119970	144466	166806	41850	0	0	0	94532	112320	0	125513	83194	104700	102816	40604	0	35636	28540	30978	126459	72386	100822	104974	85274	46300	36120	31768	53562	52070	162232	81210	114696	122202	98964	81744	75220	82161	84201	0	65758	0	83304	80030	76536	75968	84166	36170	30254	1022	62988	50734	0	142054	136486	203354	82546	134474	0	99238	107126	35820	38848	35594	95200	56068	110854	65920	108376	31678	0	87828	48314	Peptide	0.29411766	1.117647	0.1764706
6	C17 H19 O5 N3	346.13974	346.14035	0.07076719	346.13977	51711	50342	49479	51057	21675	26623	36123	58451	20556	66555	34052	32271	21028	15084	38654	71832	49880	31854	42955	69144	80324	76506	41298	73734	0	29887	0	41369	47094	42172	42859	51278	64218	45589	78499	44772	59036	36112	66854	0	85949	24644	0	0	0	61990	74736	0	57873	44356	57287	52619	26244	0	26768	16273	16715	57503	31551	49165	67475	46216	24753	20693	18827	26163	29171	70497	36855	59140	69923	48098	43591	36916	27087	36014	0	29683	46521	41436	37221	35029	36003	39343	17821	20716	54179	33619	30622	122454	72710	77790	107713	49496	68317	0	46586	49494	13015	15402	19812	61500	1863	68399	27950	60151	15652	0	44414	27432	Peptide	0.29411766	1.117647	0.1764706
8	C20 H20 O3 N1 Na1	346.14136	346.14215	0.5113333	346.14154	111236	112082	109664	117982	39252	44862	81569	111632	51290	140882	87586	72038	44180	26686	78206	139700	129748	44606	89774	150720	166758	155807	81962	167506	82130	74422	72771	71074	96957	86542	93762	100586	112302	94130	167538	98516	130878	80752	193626	159850	180702	57066	0	0	0	137412	157916	0	125694	103292	110824	114326	51238	0	56472	29304	46264	124714	67936	98168	109664	107238	42640	57624	36380	50128	51242	175062	87966	133480	158528	102980	91252	80630	93377	100470	0	68082	0	96624	88345	79124	80538	100348	33654	37940	105253	72464	70114	210210	154380	164220	219158	107524	143734	0	110554	104158	35916	35256	34834	111526	65130	134324	48044	131554	33986	0	94642	56826	Phytochemical	0.15	1.0	0.05
18	C15 H23 O8 N1	346.14966	346.1501	0.063717976	346.14966	83531	76193	94325	84345	107080	78798	52713	100285	111387	92403	61172	63631	187845	63781	82533	97100	79450	182784	167511	111526	124480	61731	95413	102521	48821	74609	53274	34146	91227	88710	71396	72191	103106	77343	75934	100611	103672	67190	75453	84079	95743	96081	4663	1815	2442	70375	72534	1327	80851	85637	89080	80548	99052	2496	227392	126008	58919	90590	51287	67280	82000	72718	127877	150143	60309	110008	74284	54404	97903	86452	117835	78611	73849	99757	83909	84369	1653	61011	84407	59882	65083	44958	50692	59224	142466	85587	79580	71228	72759	51813	52690	64265	89266	54692	81415	2350	81492	107266	90378	102910	123563	107313	49772	85470	38055	66689	99039	1851	44430	148562	Lipid	0.53333336	1.5333333	0.06666667
16	C15 H23 O8 N1	346.14966	346.1501	0.04758336	346.14966	237127	223606	239464	245042	310587	248879	137708	248840	358780	274026	174484	159391	589726	146419	229376	259958	216521	565288	556964	370346	376901	190725	241641	244635	132684	207511	117012	126139	262747	220408	180707	210693	258266	203335	308112	259634	268535	142908	179772	275408	215762	260247	10717	2273	3007	192721	174666	2191	223846	218189	228029	227735	282061	2386	648237	380947	187286	203475	171468	157163	250308	218972	368320	466104	138022	347537	237313	161682	301269	279317	263359	194791	216188	247232	206470	192541	1954	157325	190924	164014	149557	123345	133413	157680	394115	208504	191412	183087	227334	151921	158541	214165	200895	155858	237818	4537	233194	304608	242449	262541	345867	328753	135529	252486	106913	189838	324766	2368	125858	452962	Lipid	0.53333336	1.5333333	0.06666667
12	C15 H23 O8 N1	346.14966	346.15015	0.003565725	346.14966	212565	215293	270522	222937	411026	314882	225027	407910	553907	302185	228987	205927	725275	175486	369636	229622	337088	885825	863660	545573	696046	271758	447664	258306	249568	335571	109916	214334	488244	235500	287257	210718	450861	252910	580942	312388	291963	279923	292107	344856	282560	364929	11346	2028	1322	305000	239775	1427	226908	261570	237840	208128	421624	2932	1208835	567513	248123	265700	353737	265930	231262	350520	642991	659410	193090	563860	337786	273608	466426	473153	435288	226954	266944	297337	183851	201779	970	267243	305409	244985	274147	213882	233203	192469	548113	334141	317472	211329	336112	249706	170339	333032	331086	237464	178919	3925	248423	385719	393821	446295	535713	334211	224059	247910	211346	255890	550708	1633	188317	757177	Lipid	0.53333336	1.5333333	0.06666667
20	C15 H23 O8 N1	346.14966	346.15005	0.07266796	346.14966	21471	13951	21932	16256	26194	17089	14190	25137	28404	17743	14508	16501	37518	8651	22327	29839	22274	32317	30207	17354	28554	18662	27902	31336	11333	14525	11014	5584	25827	21637	19201	16769	21064	20746	7894	24820	22252	17712	17987	21381	22774	23950	2870	1717	2011	18241	20342	1822	21064	27330	25340	20960	27954	1747	50428	30272	18862	20987	9544	17337	24628	17557	25403	33527	13137	28532	20787	15571	19647	23403	25164	18439	22917	25146	24788	20894	2065	17530	27183	10719	21733	10699	11944	14073	39592	22947	22685	16145	19456	13861	14397	18260	20755	10135	7139	1971	22450	25971	17786	27270	30548	22310	16092	27379	11017	18652	20873	1635	13109	35830	Lipid	0.53333336	1.5333333	0.06666667
0	C14 H23 O7 N3	346.1609	346.1615	-0.13116862	346.16083	10355	11486	12002	8328	14822	30539	2285	16541	20672	1669	1581	6216	21486	5751	5478	0	7198	20211	14435	2870	3989	7573	8903	12380	4332	0	0	5593	25751	6688	15109	15066	32031	23101	5580	13197	21957	5424	9491	0	0	18018	0	0	0	2930	0	0	18629	6025	10483	8947	13373	0	10410	6218	3684	19612	1877	1073	5358	0	14261	13380	7758	21218	20681	8615	0	0	0	16862	19767	14791	0	15181	0	6172	3960	16244	2933	624	0	0	6149	4795	3997	13388	15822	7082	32598	13735	15296	3208	0	0	10847	9839	8306	6397	7373	12339	4917	3658	0	20312	17013	0	3624	33193	Peptide	0.5	1.6428572	0.21428572
2	C14 H23 O7 N3	346.1609	346.16156	0.08370821	346.16092	18341	19482	19414	17522	18474	22022	6812	15417	42098	4022	4933	12193	44745	7741	11328	5485	14337	35495	26077	3257	4554	14580	13152	18349	7547	0	2499	6933	20822	10088	17344	15382	27250	15670	7861	15197	20785	10976	16845	2533	1871	13429	0	0	0	5500	2518	0	16687	11596	18838	18526	18834	0	27044	13305	9160	22663	5185	4025	9811	1341	25717	21151	9713	43360	18298	22356	0	1632	1293	19807	18054	13137	1891	13269	0	9848	11533	8797	7790	2137	2871	687	20698	13307	12516	16988	17152	24204	38672	20344	27239	4617	862	0	17870	19634	17482	19153	18257	15226	11547	6843	2092	22404	26887	0	9726	43209	Peptide	0.5	1.6428572	0.21428572
6	C14 H23 O7 N3	346.1609	346.16147	0.12876262	346.16092	86516	94087	84206	91675	40756	40531	48051	97855	49246	236085	111709	49084	48981	25741	50470	92146	69146	61008	79638	260469	309822	115549	57459	100940	50785	265747	48940	96150	75985	72584	65285	79652	97978	71173	255190	74214	90794	50785	86263	129146	145579	41458	974	0	345	99258	105585	316	95017	73211	95394	91240	40869	358	59319	27579	25752	84023	14374	35551	102146	83912	48678	43737	23396	49667	50088	92833	198246	371228	375535	79107	71070	63467	58300	65551	338	46204	54004	67923	48488	34142	29656	100733	36927	34236	58120	42610	49603	113416	97932	79498	128530	86782	157307	471	88549	80674	29721	25618	29673	89018	44164	94785	51800	79042	29256	398	50032	58711	Peptide	0.5	1.6428572	0.21428572
10	C19 H23 O5 N1	346.1649	346.16537	-0.019486194	346.1649	87785	87649	88797	85688	41904	39946	48668	81161	42632	214380	115935	49422	45343	34530	51921	91178	72372	52671	70520	260502	277798	116767	54201	92846	44686	267725	49060	103582	66034	63166	59853	73032	91421	62025	243503	62120	83318	45821	82208	175672	174393	40146	987	0	480	91741	101087	511	89733	67534	98640	101958	42837	649	54891	31351	23836	99654	23490	60852	83793	78907	49747	44519	24671	48550	44805	91212	236392	376563	391180	72341	61317	58541	72529	62345	0	46277	60505	67432	52964	44624	34975	94864	35239	28882	59502	41152	40864	100186	94442	71292	102848	86100	144416	597	92643	96167	33189	27176	32070	78752	40372	84491	42772	69706	34153	562	54779	56060	Phytochemical	0.2631579	1.2105263	0.05263158
22	C19 H23 O5 N1	346.1649	346.1653	0.10478621	346.16495	54665	56769	50564	58721	43489	38887	22727	38646	31418	111575	96404	27485	37980	34550	29746	50473	37286	47271	49538	113047	142197	68526	30011	56198	33031	140356	22206	95458	40515	35805	33235	30034	48520	40133	111301	42289	46661	22838	35891	102359	108679	34459	3599	0	2136	57546	67726	0	40872	34176	51541	53929	37890	2367	36677	31010	22613	40410	31251	34214	43233	74355	37777	28943	19793	51329	42160	36312	126868	153246	184038	35834	35039	28095	18644	31009	1329	26671	34416	58453	26551	39755	30482	71365	34154	29349	26854	35466	37520	53373	58338	74496	58039	69809	90364	0	49811	55713	25853	32396	31473	52736	23969	58958	36316	41859	27564	0	28960	44764	Phytochemical	0.2631579	1.2105263	0.05263158
4	C19 H23 O5 N1	346.1649	346.16553	0.016149774	346.16492	56698	56104	55627	51253	19194	26249	33285	101633	22185	111540	47422	36845	23633	20783	69999	70544	47626	32314	40138	136248	143732	75691	37191	70531	39476	139197	35259	44335	56129	45230	52650	51346	58977	46080	143172	55989	52896	50150	52198	95624	87122	26443	0	395	342	61767	78714	404	65107	85400	55187	45445	22556	440	39487	14194	15361	58949	10146	21108	71499	51743	27120	25759	13591	25306	23108	54031	105477	178210	180688	63992	44912	54300	49061	44658	350	49675	42040	46745	36650	25138	27202	56949	21640	18229	36312	23225	26951	53953	57021	43831	80507	51769	99570	878	50915	56933	19192	14401	15694	53238	39270	80070	40935	45643	14641	437	34642	26297	Phytochemical	0.2631579	1.2105263	0.05263158
20	C19 H23 O5 N1	346.1649	346.1653	0.055264503	346.16492	115479	106164	106818	91339	84221	63596	57359	83631	56844	253588	188906	59173	66962	65093	57374	107277	88060	90494	109651	274569	278691	161954	65748	123265	68420	307288	53848	193164	83680	80639	69952	87356	100227	98121	250085	77333	122812	50658	76296	216395	246608	70611	4140	1356	1275	113589	134454	1273	83564	75048	116092	126887	66397	2356	65991	51168	42411	89943	66692	95344	103684	138522	65360	60912	38904	94129	87697	87315	256265	324934	369777	81745	73466	61258	78230	71445	655	57267	66181	151886	56452	63260	77182	172001	61795	44803	79927	79837	71367	116440	142412	129193	151257	152131	169122	2098	120294	116704	52434	49025	58109	99373	56380	126827	75183	99180	50402	1623	67368	74559	Phytochemical	0.2631579	1.2105263	0.05263158
12	C19 H23 O5 N1	346.1649	346.16537	-0.029517714	346.1649	97728	94368	94901	86234	42841	38736	53299	81213	41684	185533	132284	44855	42217	28553	48636	84872	86499	58064	72985	234519	276949	144153	52046	90996	52161	237917	58728	97019	72247	68176	63673	72780	87963	68082	224020	68982	71446	51325	95222	177545	208110	40274	1276	667	688	94217	109080	655	78222	68719	84009	91246	45968	548	50662	31164	30491	92693	33861	79157	60038	103438	56591	42441	22207	60702	49492	92015	223449	354011	397082	69834	63988	64635	77865	61742	342	51334	60953	74612	58585	51436	50117	104101	38884	30415	61351	42317	47693	135168	101813	95574	108623	89242	139101	503	87845	98021	42640	31173	30971	77364	41031	81527	48029	70803	35122	0	57920	55280	Phytochemical	0.2631579	1.2105263	0.05263158
24	C19 H23 O5 N1	346.1649	346.1653	0.079420455	346.16492	13868	11477	13389	16489	22374	10759	3666	12343	7056	24077	25802	10367	14282	8574	8502	11981	9871	11568	15584	22017	22750	21112	9042	16415	10296	25081	3832	22669	8839	10031	8348	10899	12081	8654	22125	11629	13809	5691	9803	24366	30761	8849	0	0	0	15933	18940	0	12935	12635	9905	16878	12242	0	9625	10586	4398	11380	7700	10570	11463	22155	10882	7419	5833	17458	11152	10235	42030	32748	44015	10414	9643	4464	8975	8366	0	7731	21041	19164	7085	12083	7767	19742	12289	4969	17128	10823	9218	32756	10791	14902	20477	18545	19840	0	9701	16999	8964	14399	15103	13291	6760	12201	9892	12249	9140	0	13042	12038	Phytochemical	0.2631579	1.2105263	0.05263158
2	C19 H23 O5 N1	346.1649	346.16553	-0.012350369	346.1649	24555	23833	22852	20967	8764	15107	19014	34894	8244	32106	19395	20383	9955	9892	20148	23578	29984	12356	13984	39568	49621	25127	19501	26296	15622	45698	12406	16621	29554	24897	26020	23399	29826	24543	38287	26580	27813	17833	29636	31918	32549	14264	416	366	330	17862	27041	386	30457	29606	20793	21012	9667	299	13586	6205	6795	24851	6432	11025	21417	18062	10622	12244	5279	10327	14583	36854	39662	52913	62848	24716	25931	27980	33308	26663	0	17155	22292	20134	18420	10514	11289	22049	5997	6300	16415	10402	11653	38474	15093	16827	40157	19739	29563	502	23770	25922	6400	4346	5018	24663	16304	31109	14004	21333	6015	0	18279	9561	Phytochemical	0.2631579	1.2105263	0.05263158
20	C16 H27 O5 N1 S1	346.16827	346.1687	0.07781544	346.1683	4395	5509	6899	5280	3188	2503	0	9782	0	0	0	4639	1955	1773	1607	38478	3148	3771	2098	0	3944	12035	15991	131066	3332	0	1234	0	3642	2355	4647	4142	0	5927	0	3831	4383	1729	3573	0	2003	4553	0	0	0	19775	5528	0	4821	3978	5189	6887	2990	0	0	1340	2291	36583	1575	2134	38099	1020	0	0	2886	0	2342	4878	0	3461	0	6464	4123	0	2799	3568	0	2972	8549	1753	13516	3811	2201	0	1549	0	7531	0	3908	15413	9617	8695	27487	2731	3643	0	5764	7879	0	0	1495	2422	2945	2702	4628	17921	0	0	7000	0	Organosulfur	0.3125	1.6875	0.0625
28	C16 H27 O5 N1 S1	346.16827	346.1685	-0.10023661	346.16824	873	1347	2498	1038	6374	13858	1125	0	5911	0	0	0	5728	9241	0	0	0	9730	4358	0	0	0	0	0	2422	0	0	1557	1896	0	0	930	0	0	0	0	0	0	0	0	0	9549	0	0	0	0	0	0	1144	0	1751	892	8949	0	8717	0	8651	1144	980	0	0	0	0	1093	12676	3764	34776	0	0	0	0	0	0	0	0	0	0	0	0	0	0	921	1379	0	0	10745	0	0	1805	1228	0	0	0	0	0	0	2425	0	2920	0	0	0	0	3256	0	0	7216	0	0	0	Organosulfur	0.3125	1.6875	0.0625
26	C16 H27 O5 N1 S1	346.16827	346.16852	-0.010886858	346.16827	6058	4882	5149	4944	49537	20913	2051	0	18821	0	0	0	10862	61145	0	0	5689	18924	29651	0	0	0	0	0	0	0	3222	0	0	0	0	0	0	2630	1896	0	0	0	5798	2051	0	37200	0	0	0	0	0	0	3757	0	4212	6553	34659	0	11650	5723	25701	3047	0	0	0	0	2991	9860	33048	18509	44504	9286	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10334	0	8583	14496	1896	5983	3364	0	0	0	0	5459	10023	13904	0	0	0	0	0	0	0	25887	0	0	5295	Organosulfur	0.3125	1.6875	0.0625
10	C18 H23 O4 N3	346.17615	346.17664	0.01109363	346.17615	20973	22793	19227	19484	5674	9298	15021	27593	3200	23466	16620	17684	2504	6580	14692	24793	21907	5557	10383	23987	27282	31942	17964	33835	22249	15666	13704	15910	20439	24130	22234	23996	26822	22258	22758	22178	24076	12866	28076	33185	31022	11589	0	0	0	22511	24640	0	31620	23561	20524	24747	7694	0	3128	1238	6939	28183	10805	20433	26375	15857	3407	3158	5659	5953	9230	35214	15034	16044	19161	24795	20301	20247	17265	23252	0	13471	20565	26623	15729	14377	14354	19765	3087	4767	21102	11609	10177	53538	84914	26339	53806	22299	28175	0	21662	23210	4035	2757	2201	20541	12542	28572	0	26493	4253	0	20194	4069	Peptide	0.22222222	1.2777778	0.16666667
12	C16 H27 O7 N1	346.18604	346.1865	-0.033714034	346.186	39834	38109	41694	45550	70865	67330	85245	136427	72267	28207	22726	63861	104227	45258	102402	56725	135069	119078	129647	67015	83457	53687	173135	73687	109487	47513	24506	32061	140189	57155	85436	53926	113771	66224	62653	86268	67150	90470	112922	40155	28399	73604	6555	722	397	76456	50862	472	61495	57590	51430	38828	73353	1280	148952	95970	52726	78775	72958	67338	47134	32946	92808	85005	48461	91738	77648	112554	37030	38887	36333	46445	67056	74656	51621	49526	0	68560	226460	39102	416221	56050	140322	82032	105655	73360	135901	43178	76156	116345	45166	67312	100833	46708	21411	2247	57790	83897	62711	81566	116262	83369	61556	47286	35376	76155	95118	393	122162	92631	Lipid	0.4375	1.6875	0.0625
4	C16 H27 O7 N1	346.18604	346.18668	-0.03980487	346.186	11834	10123	9893	11559	7361	7217	6006	17829	18788	6338	3892	6309	27548	6929	22616	22546	6541	23542	24730	11271	8575	14524	9620	28198	21130	3094	5706	0	16987	11668	13118	13736	34414	9305	13213	16181	16265	7754	10684	6180	4673	6724	0	0	0	9841	6978	0	17879	12915	10022	8852	6887	0	30668	9001	4321	31686	9787	5732	14277	5296	27578	21602	8432	22884	7363	11516	2611	6370	3258	9789	12349	15698	4713	9272	0	9659	8354	0	6396	4868	7135	2615	10879	7749	7888	6126	8516	11402	52716	45034	36710	11792	7773	0	11626	27382	6833	8295	9771	13222	7549	15135	5547	10702	6534	0	6238	18588	Lipid	0.4375	1.6875	0.0625
2	C15 H27 O6 N3	346.19727	346.1979	0.011245	346.19727	53215	46859	46891	49845	8939	27674	4070	13304	6704	8486	158330	5727	13365	4542	8558	7461	7680	14648	10423	3007	1581	10828	7990	12016	7267	0	2511	1005038	14577	9296	12087	10835	16857	14402	5496	10953	16685	6651	8157	913	607	11912	380	0	0	3268	2092	0	14318	7389	49273	49271	8565	0	8990	3869	3333	16786	1428	917	9281	459	9909	6456	4710	12847	9989	8280	0	1334	396	12068	12273	11776	2003	9775	0	6593	6741	2587185	5134	0	1139	634	5743	6530	9456	9311	9501	18416	1519617	1167067	20514	490852	5609	0	57782	51048	6530	3719	4356	10646	6023	3270	719	15414	6288	0	6252	13452	Peptide	0.4	1.8	0.2
6	C15 H27 O6 N3	346.19727	346.1978	0.051917065	346.19727	95673	101252	91560	102526	2622	28651	2344	4369	1784	26378	107090	2225	4735	1731	5438	10601	2471	6955	3870	965	576	7271	1911	5250	4952	0	3101	791473	6723	3526	5389	4704	10026	5038	4637	2513	9238	2850	5026	0	0	9539	0	0	0	2546	1332	0	4829	4065	100140	96626	5653	0	2137	989	1834	8276	0	656	5979	0	2475	1401	1680	6496	3431	4880	0	0	0	4865	3508	2550	0	1788	0	2207	2664	1559609	1814	1555	1367	0	2212	2949	5609	4981	5773	9082	6558724	4221632	10313	344847	54269	0	95960	87840	4012	1130	1671	5494	3572	3084	0	5963	1569	0	2557	3815	Peptide	0.4	1.8	0.2
8	C15 H27 O6 N3	346.19727	346.1978	0.28792113	346.19736	41833	42608	35599	40571	1538	3564	708	1795	1037	8119	66074	0	3163	0	2483	3827	1490	2479	1284	0	0	3282	954	2192	3087	0	1388	274671	2099	1506	2377	2824	2332	2150	1182	3189	2598	1620	2549	0	0	1582	0	0	0	0	0	0	3945	0	31451	37067	2158	0	1656	809	0	3890	0	0	0	0	1625	0	0	1270	1736	3103	0	0	0	1458	937	0	0	850	0	891	2071	409728	1389	0	0	0	0	0	1703	1722	1212	3021	2718737	1663543	4583	147078	25780	0	35596	33239	2312	783	0	2389	1358	0	0	2020	2787	0	1798	3011	Peptide	0.4	1.8	0.2
10	C15 H27 O6 N3	346.19727	346.19772	0.10502156	346.1973	5089	4429	3705	5746	0	1255	2116	1898	0	1509	3806	2745	0	0	1697	3995	2297	0	0	0	0	1669	1436	1711	2187	0	1422	39525	1486	2821	1981	3339	1416	2270	0	2443	2138	2256	2879	0	0	0	0	0	0	0	0	0	2580	2486	4706	3954	0	0	0	0	0	3556	0	0	0	0	0	0	0	0	0	2126	0	0	0	3029	1641	2463	2429	1954	0	2336	1619	179014	2045	0	0	0	0	785	1984	944	1298	2586	268920	131989	2247	21253	1506	0	6422	3812	0	0	0	2546	2800	0	0	1758	776	0	2397	0	Peptide	0.4	1.8	0.2
4	C15 H27 O6 N3	346.19727	346.1979	0.12950443	346.1973	31190	36762	31258	28230	3040	25317	1668	3985	3162	8367	24177	1899	6504	2324	4439	6232	2201	7507	4669	1886	1093	5567	3501	4276	5420	0	1291	226609	5044	3321	3209	4592	8280	3977	1876	3514	4916	2904	3689	0	718	5409	0	0	0	1708	1011	0	5948	3384	30623	26091	2910	0	5183	2202	1412	7079	1519	1576	4726	0	4508	2985	1822	6153	2706	2611	0	0	0	3496	2899	3118	1246	2389	0	1871	3623	470319	2137	0	1510	402	4682	3289	4327	2450	3932	4582	2601200	1878583	8067	69886	13372	0	26685	30231	3661	3713	3794	3917	2197	1975	0	3720	3743	0	3278	6218	Peptide	0.4	1.8	0.2
10	C20 H27 O4 N1	346.2013	346.20175	-0.02971301	346.20126	87061	78094	67648	80247	18171	28663	59730	117931	13996	129685	76332	84419	8583	12013	75695	159097	96447	18929	37788	162703	149969	52089	76553	111643	84361	125642	79339	77007	68930	95566	79702	102837	115183	82683	142894	80921	100432	81536	101227	98718	49168	36341	683	0	0	65394	62245	0	107758	83798	77650	74801	33169	0	13635	7460	22772	127205	0	9841	123279	38521	14203	13019	26676	26391	32446	139344	93019	167446	153233	98049	84922	78380	101676	86554	0	77291	91756	61220	81866	10093	5657	62846	8519	13678	81143	30649	33946	103180	93673	19825	113073	63277	126844	0	75518	72338	12369	6023	8134	104794	67481	68636	26019	84384	11393	0	88989	13334	Lipid	0.2	1.35	0.05
2	C20 H27 O4 N1	346.2013	346.20187	-0.07953808	346.20126	8815	8329	8080	7576	488	0	9138	23158	382	7948	3727	10620	0	469	11465	16542	14507	1800	2212	13120	12529	8764	8714	14242	8056	4631	8503	2661	15745	14186	14973	15122	12436	13356	8149	18173	13887	7079	16769	9666	9074	0	0	0	0	7252	6997	0	16529	18626	8359	7948	1666	0	1030	0	2016	12857	875	1320	12513	5606	460	746	2429	770	3748	17677	3413	4634	5077	15547	13776	20182	15958	14569	0	8920	8020	0	8398	1629	4282	8579	467	1916	7339	3162	3861	16467	6540	4000	18407	5014	12041	0	8941	10716	575	276	0	11504	7157	16432	3508	11510	265	0	9131	540	Lipid	0.2	1.35	0.05
16	C20 H27 O4 N1	346.2013	346.20172	-0.02019471	346.20126	43834	40762	40501	36602	15870	17363	24869	35726	13136	62637	47804	25184	14092	13127	20924	45314	49881	14040	30219	88051	83134	42760	21965	40412	29091	93543	30669	39365	32851	29338	30763	41991	42940	28648	61724	27377	35914	18057	65215	56606	74511	18841	0	0	0	32978	42810	0	43248	30842	42353	35420	20493	0	14346	8823	13535	48204	11826	40089	47762	31114	11915	11926	12350	14920	24076	59757	80047	95248	126650	27276	27792	25795	50039	30542	0	17820	32284	34554	24885	18830	24187	40967	13929	13238	33816	24655	19687	104702	51288	41001	62982	37721	55404	486	42284	39857	10143	18617	30613	42858	17196	34116	19266	52558	11839	0	31032	15378	Lipid	0.2	1.35	0.05
26	C20 H27 O4 N1	346.2013	346.2017	0.10442373	346.20132	10229	9082	10063	9311	17480	5817	2808	8042	12054	12948	29162	3166	12008	7101	0	9005	9815	6408	11394	25581	23319	11419	4863	8329	0	26116	3903	27131	7717	8645	9190	8363	10438	9574	16352	10448	8551	4395	7931	17541	28565	7964	0	0	0	6593	0	0	9124	6992	9934	10370	13658	0	7062	11752	6520	9435	6665	6123	15988	13748	8214	7116	3613	14175	11748	9502	21028	13331	26693	7837	5607	0	0	5235	0	4382	5576	10602	5175	7163	7065	17702	9009	0	5807	6745	4026	9656	10470	10655	7887	12544	13071	0	8767	10570	14693	16907	19046	13117	5212	11786	0	7718	15843	0	6566	8937	Lipid	0.2	1.35	0.05
18	C20 H27 O4 N1	346.2013	346.20166	-0.06329745	346.20126	62564	54013	57116	52630	32356	24944	40533	52270	16030	64615	57953	37624	31603	24735	36235	74735	77775	29025	38055	105648	95254	65883	33606	64689	40924	147275	42963	54075	47687	47830	40677	53181	68615	46832	71931	59884	58506	32371	95402	84006	110808	29189	2013	1029	753	45745	64853	905	61090	44914	54769	53488	27719	829	15739	17220	19006	68440	26607	63299	56240	40984	16554	14454	15844	30545	31021	91685	101370	123268	186418	42128	38687	45240	73182	52260	582	31242	50211	65352	34347	34748	37957	51026	19230	21916	50527	42912	29073	132997	86709	63532	101103	54063	83190	950	58716	49889	20239	24971	31534	69869	32756	74828	22708	58752	16538	885	47271	19972	Lipid	0.2	1.35	0.05
12	C20 H27 O4 N1	346.2013	346.20175	-0.023122001	346.20126	32305	38603	40012	40431	15421	15356	39784	44831	10500	77759	56995	21239	6824	12461	20940	52131	36783	18215	28855	117819	116998	29913	26410	39054	26127	109819	52062	49676	34604	31298	31629	33144	37100	38199	101460	35330	38143	24378	48699	59587	35721	17703	541	0	0	33255	40943	0	44135	37515	36379	32796	16611	0	10329	5444	11228	44236	0	9844	34971	25165	9814	8416	7312	15887	21828	49435	62792	163147	127755	41018	35107	29324	37674	34284	0	26695	33845	28503	28747	8765	6235	39097	6268	6761	38181	17557	15939	66276	55567	17076	52050	39709	69403	0	36255	39172	9842	7232	6461	43875	23858	23519	0	35850	9417	0	28627	11014	Lipid	0.2	1.35	0.05
4	C20 H27 O4 N1	346.2013	346.20187	-0.06473584	346.20126	33906	37187	37125	33653	3651	10014	39984	69021	3125	35177	19700	45460	2086	3491	39380	90027	52064	8389	12207	49637	48819	27839	27706	65961	43098	24038	42299	14779	54660	44375	61938	49335	64797	42981	39586	57430	58208	35123	54378	33940	24772	13693	0	0	0	28962	31697	0	69812	59668	36807	30235	11521	0	3758	1421	7810	61676	365	2102	77757	18199	2306	5330	5640	10846	12776	59880	16404	25285	26863	49293	44438	64415	60757	43163	0	49707	33828	26441	35611	6322	7487	28890	2747	7920	23409	13312	16523	46266	27182	6222	62738	25071	49684	0	35513	40274	2656	1496	2629	52507	37829	52986	11758	43270	1122	0	39921	3613	Lipid	0.2	1.35	0.05
14	C20 H27 O4 N1	346.2013	346.20175	-0.008616258	346.2013	34183	33725	32622	27373	17949	11654	20510	29441	10613	63322	40578	15365	12920	9879	16979	39416	37915	10420	18101	87591	81921	34233	15405	32407	20603	107622	27609	37662	23045	22098	21469	27532	29838	25735	72481	30549	30234	16699	36818	56005	54529	16213	0	0	0	34659	31407	0	30392	21996	30460	25945	18762	0	11152	8236	11803	30931	0	20604	28033	22576	9884	8827	6403	14988	20732	38463	66236	128331	118245	23445	19725	21271	29622	24578	0	18774	23671	29406	17162	12821	12837	37092	9231	4444	23445	15360	15382	80295	46397	22111	57037	29736	58445	0	27273	28186	14325	6443	12308	28149	13905	29562	0	33574	9358	0	24119	10078	Lipid	0.2	1.35	0.05
24	C20 H27 O4 N1	346.2013	346.2017	0.057779156	346.2013	46438	43940	43101	46310	56735	28681	22786	44261	30811	49503	62661	32325	41771	21718	25089	67325	54304	36406	49348	73386	81993	55242	29395	61766	28424	93683	20314	56096	52196	49147	32954	46515	52872	52334	48487	50353	51704	22445	55220	62693	90412	32119	0	0	0	45093	60687	0	47502	45159	43599	50014	45420	0	34858	28675	19483	54152	30554	46184	63836	48685	33887	37076	14701	47447	43193	52697	83521	81004	98306	45799	39083	40818	38222	40547	0	29163	31393	48117	26149	32725	31102	48531	40075	18542	37434	40235	32813	73692	62977	60687	71842	51364	65370	0	42976	50564	36473	40701	42129	65411	25936	63096	32148	55897	41735	0	33203	32064	Lipid	0.2	1.35	0.05
22	C20 H27 O4 N1	346.2013	346.20172	0.03416408	346.2013	77901	73919	60641	69091	64104	40797	40198	66119	36689	79587	95970	43354	38260	33498	37522	88316	75559	46313	61012	132122	123750	86387	51357	84215	45156	165641	39657	81302	60589	65288	55268	70847	71177	79468	99826	77617	63659	31068	73379	107112	149852	46105	3060	0	831	68370	86829	0	71112	66270	63872	64223	57260	1616	46148	39197	25124	74448	41290	73574	80382	61953	37105	35915	24057	55158	52293	74661	132036	152909	196207	65180	61998	59959	54014	59665	525	34922	53586	76872	37955	44376	52980	75536	42315	30820	63339	60012	43414	130681	95800	96781	91563	88497	102399	0	66305	71079	84637	40829	39790	88806	31449	85188	45830	74496	48138	0	54065	39983	Lipid	0.2	1.35	0.05
20	C20 H27 O4 N1	346.2013	346.2017	0.011832339	346.2013	76178	73252	78915	72792	50199	42049	47011	72644	37390	99662	81787	42982	42465	38152	44435	101504	88856	42283	56814	144227	164734	89648	43646	93206	49789	185515	49089	84788	70580	61538	52939	65685	75959	74470	96486	74329	75560	41270	88947	105643	154315	52848	2041	605	258	68530	107202	0	70682	55261	76823	68026	46723	574	33751	39773	32316	91960	52309	88099	90025	71209	34102	30403	25345	42887	47379	100321	146780	167591	214322	65125	59650	58413	81079	65722	0	39834	52932	87014	40292	40638	63324	73563	38479	34463	63685	57640	43051	173701	112567	102841	124970	88389	99076	1327	82666	74696	34557	37449	49390	82847	43873	92925	43858	67266	34250	680	56497	37941	Lipid	0.2	1.35	0.05
20	C17 H31 O4 N1 S1	346.20465	346.20496	0.10442965	346.20468	2219	2237	3784	2104	0	0	0	16533	0	0	0	1260	0	0	6468	0	0	0	0	0	0	23157	19976	23431	7854	0	1304	0	5192	10039	13179	4429	4477	6682	0	7140	2031	2479	0	0	0	0	0	0	0	5622	0	0	2090	4468	3937	2339	0	0	0	0	1162	10932	0	0	3586	0	0	0	0	0	0	0	0	0	0	2435	3998	24486	0	5961	0	7386	4106	0	10513	0	0	0	0	0	3332	0	0	15941	4813	9212	94285	0	0	0	3080	2270	0	0	0	3132	3206	0	0	5522	0	0	1347	0	Organosulfur	0.23529412	1.8235294	0.05882353
22	C17 H31 O4 N1 S1	346.20465	346.20514	0.054895926	346.20468	0	1831	0	1707	2224	2057	1270	3214	0	0	0	0	0	0	0	2451	1485	0	2637	0	0	3214	2222	17299	0	0	0	0	1416	2245	2826	3998	0	29168	0	0	2076	0	0	0	0	1497	0	0	0	0	0	0	2302	0	0	0	0	0	0	1708	0	3598	1432	0	3968	0	0	0	0	6348	8635	2087	0	0	0	7594	8172	2658	0	1564	0	0	0	0	1007	0	1564	0	0	1208	0	1323	1130	5398	0	0	12217	0	0	0	1785	2092	0	0	1674	1851	0	1652	0	4419	1372	0	0	0	Organosulfur	0.23529412	1.8235294	0.05882353
24	C17 H31 O4 N1 S1	346.20465	346.205	0.00813909	346.20465	8358	9457	6806	6210	5648	5134	55348	8684	0	0	7417	31064	6612	996	3817	2310	39543	6885	7651	0	0	1628	7705	3835	3293	0	212802	5421	4007	22223	11784	4954	1608	4549	0	4782	3520	2588	23322	0	0	3074	0	0	0	0	1113	0	8534	6685	7646	5204	6586	0	0	1230	5071	3372	0	905	2290	0	0	0	2777	19614	21172	114097	0	0	2460	9539	11790	11570	66421	11880	0	3747	20796	0	21556	815	0	0	1270	3134	3743	3690	4505	83507	2525	0	9959	0	1396	0	8233	8342	1520	1612	2079	10783	14820	1423	0	2351	3528	0	5517	1433	Organosulfur	0.23529412	1.8235294	0.05882353
2	C14 H27 O5 N5	346.2085	346.20914	0.02921562	346.2085	1664	1159	1202	1860	0	0	0	1527	0	0	1012	1086	0	0	2206	580	538	0	0	0	0	0	308	751	1798	0	0	0	961	0	6638	2964	48497	3715	0	2761	19780	466	790	0	0	0	0	0	0	0	0	0	0	0	625	1260	0	0	0	0	0	1324	0	0	1072	0	0	0	0	0	0	1314	0	317	0	881	1175	631	0	0	0	1314	0	6008	0	0	0	0	0	0	404	0	0	0	5415	10516	0	1370	0	0	1566	1066	0	0	0	12219	0	0	0	3074	0	0	1393	0	Peptide	0.35714287	1.9285715	0.35714287
4	C17 H31 O6 N1	346.2224	346.22305	0.03188623	346.2224	8530	9929	9218	8411	943	1521	54228	6680	1223	2637	93507	5342	2156	2994	5055	6902	7067	731	1401	2149	2271	2758	3722	3489	5872	9553	144180	97080	3649	3917	4005	4435	5092	2617	3049	4848	4182	5945	6157	0	33748	1433	0	0	0	1820	16953	0	5047	5056	9661	8559	1194	0	1667	2890	4109	5443	1654	1386	10029	10817	3658	1228	0	2179	1812	10741	83252	4592	19930	3835	3086	5690	7669	3581	0	4679	2415	197261	2955	19555	1668	2470	1612	1178	8033	3322	1592	13863	21596	14704	8736	24819	9291	0	8897	9482	4118	1091	1117	4332	4015	3002	8097	2968	1224	0	4996	2048	Lipid	0.3529412	1.8235294	0.05882353
2	C17 H31 O6 N1	346.2224	346.22305	0.035344798	346.2224	13061	11727	12936	11795	525	0	89731	5176	814	3178	132969	3489	649	1575	5190	4372	16003	747	1421	2899	2088	3128	2932	2079	3836	3753	175592	94490	5595	3583	3761	4259	4656	2720	2310	4689	4289	9934	6655	1936	62407	0	0	0	0	2146	57990	0	5100	4038	12544	12539	740	0	1065	4883	3304	4942	1856	2775	10955	32386	1774	706	213289	1483	1579	13084	293405	2429	29215	3353	3077	3870	4654	2407	0	2902	2703	169414	2188	8286	1704	1616	555	1399	6652	2016	1250	26909	10550	8271	8130	38619	8720	0	12855	13522	9168	756	692	4154	1852	4292	12430	2076	946	0	3302	734	Lipid	0.3529412	1.8235294	0.05882353
22	C17 H31 O6 N1	346.2224	346.2228	-0.034935877	346.2224	13663	10697	11404	12444	14565	13774	49036	6865	8322	2681	4894	4800	14638	30825	8974	15610	6716	20510	25076	1974	2944	2990	5843	17353	11047	3967	29559	13438	20535	11376	7726	15393	16627	18978	3537	19135	16511	7531	5896	1848	3827	15057	4640	0	654	5377	4173	0	14012	8390	9664	9502	13173	1375	13677	7628	10661	13943	6313	2353	15066	3086	14149	7056	19882	32726	27731	9029	1862	0	3421	11775	16442	13507	5957	13057	364	8396	3231	20319	3066	5539	44991	21422	8871	12266	6664	10809	14740	8122	47823	34280	9943	3218	5091	0	12014	12592	7719	6928	5647	17726	6304	6496	18372	8614	9032	0	6260	11660	Lipid	0.3529412	1.8235294	0.05882353
18	C17 H31 O6 N1	346.2224	346.22284	-0.002522655	346.2224	5116	8847	7382	4207	2805	5823	48351	9105	2473	0	3136	4396	3926	8058	7863	7110	12721	6707	11397	0	0	3227	6474	6118	6505	6783	42046	4684	5172	11426	4657	8693	9513	12589	0	12357	7755	5464	10055	0	1759	5221	2152	0	0	2492	3933	0	8836	5690	6452	6650	6211	569	4288	2035	3944	9544	2073	2765	10313	1223	3935	5960	12052	10138	10135	8148	2312	1526	2515	24008	8250	8003	9999	7814	0	5393	2624	13020	2625	3942	68090	38298	3047	6672	9006	6529	7612	8690	17846	9761	9482	1411	1862	0	6577	8198	3392	3224	4890	10644	5827	4227	2630	6935	2623	0	9410	4340	Lipid	0.3529412	1.8235294	0.05882353
16	C17 H31 O6 N1	346.2224	346.22278	-0.009458084	346.2224	4415	5600	4779	4353	3626	3332	23381	9226	0	0	1344	3206	3567	5653	3466	5370	9123	0	2700	2681	0	0	2031	3499	7037	6133	13544	2977	6679	7473	2944	5631	5101	4284	1802	7517	4925	1817	10636	0	0	4158	1219	0	0	1267	0	361	4215	3763	4557	2495	2783	256	2152	3510	3376	4614	0	4207	0	0	0	1279	7457	3459	5574	10685	0	0	0	2959	6030	7377	8159	4459	0	3080	5017	4605	2436	1165	34125	24156	4338	4539	5081	3521	5500	0	6983	3699	0	1481	0	0	2086	6148	4565	4586	6596	10307	3612	1710	0	0	1108	0	5584	0	Lipid	0.3529412	1.8235294	0.05882353
20	C17 H31 O6 N1	346.2224	346.2228	0.05827919	346.22244	14553	12382	12781	13555	13129	9739	98131	12201	3353	5347	3131	6520	12319	15296	8694	13000	16882	11295	12775	5623	0	1989	9174	6569	15350	6764	55107	11566	20358	10857	15121	19635	13881	25656	3478	18064	22051	6584	21193	2276	3289	12190	4372	0	0	7816	4353	0	16267	10398	13227	10059	9298	1222	9765	6389	8593	17053	4247	5863	21843	1417	11375	7214	20644	24932	26686	14757	1866	2870	2531	17755	10381	14578	13384	14060	0	7755	5261	25131	4755	4171	83001	39994	6836	10877	14255	8219	16659	8499	45467	21546	8610	2820	5913	819	14563	13216	7312	4611	9254	19632	6916	11535	12431	9579	7401	0	10403	7241	Lipid	0.3529412	1.8235294	0.05882353
20	C15 H31 O2 N5 S1	346.2271	346.22757	0.11224632	346.22717	0	2026	1765	0	0	0	0	4477	0	6752	2838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4093	0	1708	3905	2070	0	0	1402	2725	2811	0	0	0	0	2311	0	0	5047	0	2282	1802	0	5350	0	1704	2512	2774	30567	4849	2162	2978	0	0	0	0	0	0	0	0	0	4769	2648	0	2003	0	0	0	0	0	0	0	0	0	0	0	0	3237	0	1542	3445	3865	0	2414	3545	0	2288	2037	0	0	0	0	0	18142	61548	1900	0	0	0	0	Peptide	0.13333334	2.0666666	0.33333334
10	C16 H31 O5 N3	346.23364	346.23407	0.0395251	346.23367	12358	8921	9896	8249	0	15471	0	0	0	0	1834	0	0	0	1368	0	0	1981	0	0	0	0	0	1933	993	0	0	102393	0	0	0	0	2619	0	0	0	1573	0	0	0	0	3392	0	0	0	0	0	0	1266	0	8887	10540	0	0	0	0	0	2034	0	0	0	0	0	0	0	0	0	0	0	0	0	1144	0	0	0	0	0	0	0	153597	0	0	0	0	0	0	2794	0	805	0	1123852	446025	5452	26449	2361	0	8577	7893	0	0	0	0	0	0	0	1296	0	0	854	0	Peptide	0.3125	1.9375	0.1875
2	C16 H31 O5 N3	346.23364	346.23428	-0.044908855	346.23364	0	734	715	0	627	0	513	852	615	0	0	0	1593	1190	1019	1142	376	715	586	0	0	0	446	1236	1409	0	0	2515	709	459	452	0	795	784	0	673	633	530	0	0	0	0	0	0	0	0	0	0	777	0	0	0	1543	0	477	331	0	1220	0	0	819	0	534	451	0	679	677	0	0	0	0	866	705	0	0	0	0	390	1005	170305	0	0	0	0	403	518	1464	0	541	1671	20350	12213	1393	1902	0	0	1052	691	0	261	530	0	0	447	0	1271	387	0	946	729	Peptide	0.3125	1.9375	0.1875
8	C16 H31 O5 N3	346.23364	346.23428	0.5976029	346.23386	34887	42856	20980	37828	2452	27331	6167	29173	0	27606	30149	1514	5674	5830	0	0	2545	8657	1981	45726	11113	0	1342	21861	1220	0	5714	207719	0	9142	7445	22992	6224	0	9905	8575	7764	1137	2889	0	20450	9143	24050	0	0	102143	0	0	19644	17552	41025	38255	1910	0	3216	0	4580	0	0	0	0	0	0	0	0	6844	0	5248	0	71431	0	18056	6029	0	0	0	0	0	6362	821885	995	2754	0	1542	1790	0	1176	5157	3384	0	2345398	1027656	5653	138458	0	0	50575	35824	0	1030	0	5912	0	0	0	1183	0	0	840	8121	Peptide	0.3125	1.9375	0.1875
6	C16 H31 O5 N3	346.23364	346.23413	-0.007312492	346.23364	9061	12307	9441	13448	0	19678	0	1152	0	0	3646	681	0	0	699	3453	1484	1789	0	0	0	2863	0	2880	1382	0	542	134053	2304	0	1078	1962	1547	1684	0	1076	1189	0	0	0	0	2099	0	0	0	0	0	0	1689	691	13480	9158	0	0	0	0	0	3692	0	0	4433	0	0	0	0	0	590	0	0	0	0	1026	0	0	759	0	0	470	0	1456158	0	0	0	0	0	0	992	600	567	12309	802316	310547	8952	69744	5312	0	11492	9241	0	0	0	1754	485	0	0	1858	0	0	654	804	Peptide	0.3125	1.9375	0.1875
12	C16 H31 O5 N3	346.23364	346.2341	-0.081034064	346.2336	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1495	0	0	0	0	0	20800	0	0	0	0	0	0	0	0	0	0	63297	27057	0	3606	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3125	1.9375	0.1875
4	C16 H31 O5 N3	346.23364	346.23425	0.059772268	346.23367	5849	4900	4818	5178	848	6431	400	634	1047	0	0	0	1844	0	485	1775	0	1412	1341	0	0	1038	562	436	945	0	0	23717	0	621	837	1149	1939	0	766	893	1735	569	761	0	0	891	0	0	0	0	0	0	1206	0	5388	4664	880	0	799	334	0	1738	0	0	1007	0	1072	428	0	2014	487	0	0	0	0	823	529	669	0	0	0	322	501	335980	0	0	290	0	399	525	790	561	1396	1142	441109	189792	2995	21933	2142	0	4806	6649	0	424	439	1008	545	0	0	1102	338	0	1021	1527	Peptide	0.3125	1.9375	0.1875
24	C21 H31 O3 N1	346.23767	346.23804	0.007730578	346.23767	14226	15552	9921	11447	5633	3990	10080	46765	3243	7357	17993	54969	2487	3154	6171	45880	20267	2067	4253	7241	11068	9961	3838	9060	11169	28187	21027	15039	17068	26788	93342	11909	7836	12660	5861	13670	9567	8845	20216	13749	22346	4560	0	0	0	6408	15330	0	29077	24255	13890	11097	5134	0	2317	1409	3020	25453	6155	16431	49107	5265	3847	1863	2138	7759	9912	23919	17256	13780	24707	16278	9724	16256	14552	19304	0	49845	8183	13321	4087	6825	11289	13530	2282	3033	17188	6815	4010	70321	19360	15950	16197	12453	11040	0	12395	12199	3208	2244	3005	12291	44738	19254	7638	12236	4023	0	16552	1632	Lipid	0.14285715	1.4761904	0.04761905
10	C21 H31 O3 N1	346.23767	346.23816	-0.050739635	346.23764	20999	17719	18656	17505	1498	13951	16331	33536	0	26730	12743	21670	0	2606	14770	33707	20627	0	2469	36647	28485	2238	14830	30010	15975	19820	18290	14123	33200	27937	26589	37763	32145	23937	26288	28698	30650	15825	17782	19524	0	7285	0	0	0	9636	7077	0	38137	27725	17611	16681	3908	0	0	946	5106	31386	0	0	26577	1991	0	860	3459	2067	7204	41617	12030	23002	19453	34804	29640	28251	33999	30755	0	18245	11549	7092	11571	0	0	8738	0	912	11806	5858	6206	42233	25432	0	43552	9440	24454	0	18615	17888	0	0	0	29479	17061	9824	0	31033	0	0	9996	0	Lipid	0.14285715	1.4761904	0.04761905
22	C21 H31 O3 N1	346.23767	346.23807	0.001817752	346.23767	8829	5647	7522	2604	2427	2415	5391	5850	0	5918	6824	4995	0	0	2686	17121	14493	0	3357	4626	6656	7825	2045	4881	6222	14170	6049	8258	6265	10026	3008	7150	4067	7627	4650	8677	5364	4307	13194	5638	15418	3697	0	0	0	4372	10476	0	8302	12073	5739	5881	3513	0	0	1289	0	12530	2029	9533	6533	4057	0	1712	0	3417	3714	19459	13443	10364	15811	4894	4115	5888	12712	7842	0	1860	5160	12593	2842	2873	4864	8192	1853	1656	12365	3564	1709	49384	15862	9988	14970	10719	10326	0	8464	8333	2358	2562	1808	3539	3682	9442	3247	6359	2033	0	9793	0	Lipid	0.14285715	1.4761904	0.04761905
6	C21 H31 O3 N1	346.23767	346.2382	-0.056205474	346.23764	12019	11183	11015	10456	0	2361	5977	33012	0	9856	4001	11066	0	791	16024	24049	9838	1713	2518	13868	12030	3800	11155	25865	19489	1615	8611	2595	26142	23148	23506	29152	25440	23770	10580	25916	24524	9557	11532	11102	0	4530	0	0	0	8108	3262	0	30538	28220	11030	11954	3272	0	0	0	1664	26411	0	0	25921	1528	0	0	714	1000	4403	17235	0	2442	0	25714	24147	28852	11507	21113	0	15422	4843	0	6080	0	0	5508	0	0	6050	4378	4783	23602	16869	1629	33416	4302	12370	0	12341	12699	0	0	0	22613	13248	12705	0	22071	0	0	7081	0	Lipid	0.14285715	1.4761904	0.04761905
12	C21 H31 O3 N1	346.23767	346.23816	0.013480776	346.23767	7743	8175	8730	9896	0	10024	5370	18406	0	11088	8061	6099	0	0	8827	44026	5702	1214	2983	19382	14192	0	4296	27651	12886	10004	13455	0	12928	14594	13132	19690	14290	14912	12687	17814	16157	9158	3919	6912	0	6219	0	0	0	3411	3530	0	17988	13534	6640	9693	3580	0	0	0	1280	33276	0	0	33098	0	0	1104	782	0	3174	11561	0	14598	8434	12367	12960	11631	12212	15344	0	9277	3009	0	3866	0	0	6378	0	0	5423	4281	3258	37005	13255	0	35786	3934	17342	0	9053	8875	0	0	0	15672	6401	0	0	18143	0	0	6818	0	Lipid	0.14285715	1.4761904	0.04761905
20	C21 H31 O3 N1	346.23767	346.238	0.001108781	346.23767	2947	1828	1937	3450	1766	0	1531	1745	0	0	2129	1340	0	0	1446	6332	10836	0	0	0	3356	1794	1270	3917	3138	5887	1199	3980	3055	3638	1711	0	3347	1727	2612	1313	3141	2733	6197	1177	7852	1467	0	0	0	0	2706	0	5755	2958	1772	3720	1483	0	0	0	0	3409	0	4707	4886	1909	0	0	0	0	2025	9488	4468	2293	6678	0	0	4013	6710	3821	0	2531	2476	6377	2355	0	3225	0	0	0	3851	1149	1518	28161	8300	2818	9380	2868	2421	0	0	0	0	0	0	4105	1442	2110	1362	4437	0	0	2890	0	Lipid	0.14285715	1.4761904	0.04761905
18	C18 H35 O5 N1	346.2588	346.25928	-0.018895078	346.2588	0	0	0	0	0	2989	0	0	0	2279	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6025	0	0	0	0	0	0	0	0	3710	0	0	0	1172	2403	0	3605	5885	0	0	0	3182	0	0	0	1813	0	11742	0	0	0	0	0	6903	0	4011	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1284	0	0	23376	0	0	0	9019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9432	Lipid	0.2777778	1.9444444	0.055555556
24	C18 H35 O5 N1	346.2588	346.25912	-0.04593179	346.2588	2900	2594	1538	3809	5458	3548	47369	0	0	0	5612	0	0	11657	1685	1788	1347	0	0	0	0	0	0	0	0	2862	31534	22154	2435	4483	0	2068	4711	0	0	1294	0	1741	1495	0	3788	7953	3467	0	0	0	9449	0	6131	13679	2585	2401	3253	6028	0	0	2331	0	1751	12558	1936	1295	0	0	16338	2981	4722	1932	0	0	6601	0	0	0	0	4998	0	0	0	28731	0	3202	10349	11740	0	0	1501	1492	0	0	16432	11880	1811	2686	2159	0	1404	1587	3930	0	2189	0	0	1693	8912	0	6880	0	902	3433	Lipid	0.2777778	1.9444444	0.055555556
8	C18 H35 O5 N1	346.2588	346.2592	-0.15028301	346.25876	0	884	1629	0	0	1740	0	2113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1272	0	0	1172	0	828	0	0	0	0	0	2551	2886	0	0	0	0	0	1406	1484	1610	852	0	0	0	0	648	0	0	0	0	0	0	0	0	3817	2636	4322	0	0	0	2044	0	1076	5460	0	0	594	0	4947	0	0	0	0	0	0	1015	0	0	45884	0	0	0	0	0	0	1019	0	0	0	0	0	0	0	0	0	0	0	607	0	Lipid	0.2777778	1.9444444	0.055555556
16	C18 H35 O5 N1	346.2588	346.25916	0.07506546	346.25882	0	1918	0	0	0	3238	0	0	0	0	0	0	0	0	0	0	2798	0	0	0	0	0	0	0	0	0	0	2806	0	0	0	0	1844	0	0	0	0	0	1379	0	0	4176	358	0	0	1219	0	0	5666	8349	0	1715	0	4088	0	0	0	0	0	6740	0	0	0	0	0	5025	0	6349	0	0	0	0	0	0	0	4859	0	0	0	59915	0	0	0	0	0	0	0	1796	0	0	160321	14141	0	4381	6939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13383	Lipid	0.2777778	1.9444444	0.055555556
26	C18 H35 O5 N1	346.2588	346.259	0.1718384	346.25885	2720	3578	4122	3209	0	0	25547	0	0	0	9172	0	0	3966	0	0	0	0	0	0	0	0	0	0	0	0	9908	54351	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6054	3621	0	0	0	0	0	0	0	0	0	0	3908	0	8438	1898	0	0	0	0	0	0	0	0	0	0	0	0	0	68920	0	3453	10523	5448	0	0	0	0	0	0	76034	100776	0	15128	0	0	3626	0	0	0	0	0	0	0	12410	0	0	0	0	0	Lipid	0.2777778	1.9444444	0.055555556
22	C18 H35 O5 N1	346.2588	346.25922	0.049807098	346.25882	0	0	0	1406	0	0	33784	0	0	0	1812	0	0	0	1577	1712	3210	0	0	0	0	0	0	0	0	0	18739	1758	0	2409	0	0	0	0	0	0	0	0	2843	0	0	2115	2690	0	302	0	2233	0	1730	1501	0	1718	0	1381	0	1760	2221	0	0	3019	0	0	1584	0	10072	0	0	3122	0	0	0	0	0	1434	0	1463	524	0	1810	5514	0	0	12218	8388	0	1853	0	1708	0	2036	14657	0	0	1682	0	0	0	0	6447	0	1668	0	1016	0	4815	0	3066	0	0	0	Lipid	0.2777778	1.9444444	0.055555556
12	C22 H35 O2 N1	346.27405	346.2745	0.04338666	346.27408	0	0	0	0	0	1886	0	2920	0	0	0	1089	2443	1592	0	0	0	0	0	0	0	0	0	0	0	0	1444	0	2434	927	2458	3208	3808	2708	0	3569	1669	0	0	0	0	0	0	0	0	0	0	0	2227	1731	0	0	1257	0	0	0	874	0	0	0	0	0	0	0	0	73755	2949	0	0	0	0	1247	2913	1820	2288	953	0	1101	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1257	0	0	2220	0	0	0	0	Lipid	0.09090909	1.5909091	0.045454547
26	C22 H35 O2 N1	346.27405	346.27435	0.14090082	346.2741	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2185	0	0	0	0	0	0	0	0	0	0	4717	0	0	0	0	0	0	0	35159	0	0	67880	2085	3190	17372	0	0	0	0	0	0	0	0	0	0	0	0	3717	0	0	7725	0	Lipid	0.09090909	1.5909091	0.045454547
16	C22 H35 O2 N1	346.27405	346.27438	0.07706273	346.27408	0	3557	1754	2215	0	4215	4508	2234	0	0	0	3647	0	1948	1752	0	3636	0	0	0	0	0	0	2193	3214	0	17262	0	19506	4376	4189	21073	6354	22702	0	18520	6475	0	0	0	0	15969	0	0	0	0	0	0	15298	0	2453	2594	4819	0	0	0	6425	3548	0	0	0	0	0	0	9095	0	9936	23031	0	0	0	3385	8711	3611	19596	10422	0	5126	0	0	0	0	0	0	0	0	0	44871	47792	0	0	0	0	0	0	0	1782	3047	0	0	0	4529	3710	0	0	0	0	0	0	0	Lipid	0.09090909	1.5909091	0.045454547
24	C22 H35 O2 N1	346.27405	346.27402	0.17709951	346.2741	0	0	1459	0	0	0	0	0	0	0	0	0	0	0	0	0	1496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1195	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1722	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3632	0	0	0	0	0	0	0	30593	0	0	52483	1480	1430	1955	0	0	0	0	0	3478	0	0	0	749	0	0	0	0	0	3446	0	Lipid	0.09090909	1.5909091	0.045454547
20	C23 H39 O1 N1	346.31046	346.31094	0.15188248	346.3105	0	0	0	0	0	0	0	0	0	0	0	8949	0	0	0	18406	0	0	0	0	0	0	0	0	0	0	0	0	0	3771	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	250	0	0	0	0	0	0	1411	0	0	0	0	0	0	0	0	0	0	0	0	1962	0	0	0	6218	0	0	0	0	0	0	0	0	22855	0	0	135035	0	0	0	0	0	0	0	0	0	0	0	0	1947	0	0	0	0	0	0	0	Lipid	0.04347826	1.6956521	0.04347826
18	C16 H10 O9	347.03976	347.0402	0.14334346	347.0398	7708	5859	8595	8027	29531	15333	4008	0	32201	0	1905	4570	55087	20268	5261	3274	3640	35714	31923	0	0	9672	10346	3466	0	0	2853	0	0	1840	2021	0	5989	0	2858	3097	7238	6396	1947	1252	2370	6306	1348	387	751	2552	0	1326	2357	1709	7462	7072	18340	325	22517	25132	10900	2413	0	1071	3443	1679	48106	29485	12780	36938	10449	2207	0	0	0	2010	0	0	0	0	717	3784	22197	5325	15157	1807	0	0	40003	23121	11565	12474	13025	3494	3101	0	6170	6581	5541	523	12435	6400	17987	44118	36757	3942	0	0	0	4428	23034	541	3727	38365	Phytochemical	0.5625	0.625	0.0
24	C16 H10 O9	347.03976	347.04013	0.097937256	347.0398	2071	3585	4130	4086	14623	6908	1615	0	9477	0	0	2397	28348	11261	4272	2665	0	22428	17938	0	0	1531	7371	1896	1903	0	0	0	0	0	0	0	1547	0	0	0	1150	2788	1492	0	1393	1643	0	0	0	1177	0	0	0	0	5875	3309	10446	0	19124	9708	6211	1511	0	0	1692	0	32542	17009	4824	20490	4977	0	0	0	0	0	0	0	0	0	0	2025	14061	0	12987	1096	0	0	26854	6814	9425	5130	4843	4310	0	0	3141	2521	3447	0	5122	4326	7753	16503	21139	2229	1099	0	0	2844	10534	0	3315	34357	Phytochemical	0.5625	0.625	0.0
16	C16 H10 O9	347.03976	347.04025	0.18375367	347.03983	11971	8326	8038	11124	37855	18603	2052	0	34446	4258	3135	5232	66139	24503	6062	4950	3315	49679	41424	2052	0	11663	8491	1953	1509	0	4268	0	0	0	2011	0	5968	2011	7135	0	7737	10083	1423	2715	2304	8897	1014	632	683	1723	0	1492	0	2524	8988	10541	24521	0	32633	33080	18111	4111	2699	3049	0	1678	67671	39651	13631	48926	14187	3247	0	0	0	0	0	0	2334	0	350	2603	16069	7077	13995	3909	0	0	50362	16266	20442	13413	16664	0	0	3320	0	13206	5187	0	6224	7197	22699	48340	46151	7116	4025	0	0	0	24050	645	4547	60279	Phytochemical	0.5625	0.625	0.0
20	C16 H10 O9	347.03976	347.0402	0.17976719	347.03983	2986	4424	3547	4016	23706	11298	2289	0	22178	0	0	2219	34500	12891	4415	0	1787	33943	23240	0	0	3595	6245	0	3503	0	2159	0	0	0	0	0	2097	0	1855	0	2060	1991	2259	0	0	4614	1689	675	843	0	1768	2049	0	0	6220	5369	13511	632	23558	15827	9974	2903	1196	0	1788	0	36147	23439	7095	32053	4383	1404	0	0	0	0	0	0	0	0	0	2697	13766	3050	10083	1552	0	0	39927	15324	13038	7215	8505	1884	0	0	4150	4540	4346	692	5498	5452	12833	36440	27003	3088	3668	2271	1273	3169	19740	712	2240	37913	Phytochemical	0.5625	0.625	0.0
26	C16 H10 O9	347.03976	347.04004	0.07109924	347.0398	5521	5470	5457	6859	16614	8997	1750	0	12331	0	0	3137	27284	10666	0	0	0	31872	26548	0	0	3481	6725	0	0	0	1929	0	0	0	2580	0	1850	0	1957	0	3028	2944	2267	2026	0	0	0	0	0	0	0	0	0	0	5793	5263	9207	0	19662	12863	5403	0	0	0	0	0	33075	16695	4208	20617	3071	2429	0	0	0	0	0	0	0	0	0	2581	12733	0	15238	0	0	0	21855	11368	12735	4861	7004	5246	0	0	0	0	0	0	5787	0	9402	16376	19848	0	0	0	0	1634	9275	0	3582	33779	Phytochemical	0.5625	0.625	0.0
28	C16 H10 O9	347.03976	347.0401	0.06362445	347.0398	4774	6314	6666	7918	17201	6911	4344	0	17322	2428	0	4224	30313	15009	4953	3103	2575	26976	28328	0	2458	3891	7035	5313	3577	0	2744	0	0	0	3471	1337	3828	1392	3623	0	2752	4920	2566	1334	1586	4414	0	0	0	0	0	1687	0	0	8234	6228	11095	0	18143	10925	4585	4824	1464	1639	5846	0	28092	14494	4714	23080	6266	2541	0	855	0	1197	0	0	0	0	0	1934	21359	2040	19003	1178	1383	0	27772	13369	11372	6739	6050	4130	2108	1804	7124	2660	6215	0	8999	8919	8906	15703	21125	3136	1891	0	0	3402	11773	0	5689	29797	Phytochemical	0.5625	0.625	0.0
12	C16 H10 O9	347.03976	347.04025	0.11439466	347.0398	2789	4954	2987	6243	17192	7377	0	0	21798	2075	2438	2033	26383	5075	1851	2770	0	17463	24094	2095	2922	11897	4557	0	0	0	0	0	0	0	1190	0	3510	0	4847	0	3234	3064	1628	0	3992	6228	0	0	0	0	0	550	0	0	6804	5854	13620	0	17020	19846	9851	2478	0	0	0	0	45717	20619	4816	23415	6907	0	0	0	0	1460	0	0	0	0	0	2473	6944	0	4867	936	0	0	25998	7990	4857	7291	10246	0	0	2549	0	15148	5785	0	8028	5243	15209	29169	29023	3424	2391	0	0	1905	12793	0	0	37465	Phytochemical	0.5625	0.625	0.0
22	C16 H10 O9	347.03976	347.04016	0.15119024	347.03983	4068	4149	3435	3301	17635	7724	1576	0	17060	0	0	1172	25343	10693	2713	1693	0	18348	13970	0	0	1892	5157	2106	2080	0	2325	0	0	0	1185	0	2175	0	1567	0	3091	2524	0	0	0	2381	0	0	1307	0	0	0	0	0	2046	6144	13943	486	16786	14102	7195	2820	0	1233	2115	0	34502	18482	4086	20571	4764	0	0	0	0	0	0	0	0	0	966	2749	14138	2817	11032	0	0	0	25474	13051	7870	5209	3344	1449	0	0	0	2826	2831	0	2214	3228	8997	23237	16195	2711	2212	1475	0	0	14553	0	2701	33173	Phytochemical	0.5625	0.625	0.0
14	C16 H10 O9	347.03976	347.04025	0.15163046	347.03983	15875	11799	7788	8952	38324	14526	3167	1425	35560	3200	5649	5919	58238	15292	6510	2200	3356	38896	36833	2494	4930	18610	11024	3662	1206	0	3967	0	0	1239	1585	0	6736	0	4737	1555	5366	6522	3046	1443	0	8007	0	0	0	0	4009	634	0	1315	11615	8739	21820	0	30443	33272	16046	4941	0	0	0	1188	69915	39135	11177	50460	13022	5016	0	0	1217	1884	0	0	0	1237	0	3880	14611	0	12909	2664	0	0	38626	14035	13245	14003	18311	8262	0	2837	7635	18167	8180	0	10497	9866	26142	48779	40353	7014	5285	2993	0	6467	25038	0	3640	55435	Phytochemical	0.5625	0.625	0.0
10	C11 H14 O7 N4 S1	347.06558	347.0661	0.1856531	347.06567	38706	35914	37267	33839	11206	29159	34938	34784	20367	13777	12061	26775	9713	6681	27954	39075	116197	23762	100114	8255	9652	16924	29349	37152	21566	0	34113	9275	50050	31200	28842	50164	113718	32757	11478	36720	98822	22520	115692	26641	25690	46040	520	0	0	4696	0	0	62340	24563	41717	39633	41478	0	37264	5497	24611	44036	0	50931	31216	11236	11813	26072	21643	23391	41601	123131	0	0	3139	16311	16588	9892	73639	31650	0	24817	35184	175977	25198	628	1718	3339	14514	13051	40212	45810	49745	45096	132820	11442	47087	122264	296766	0	47426	39430	22256	7327	10622	110523	21170	56975	0	33552	4340	0	18917	19700	Peptide	0.6363636	1.2727273	0.36363637
10	C14 H15 O5 N2 S1 Na1	347.0672	347.06815	0.84089	347.0675	0	0	0	0	0	0	0	8925	0	0	0	1453	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6425	9703	4302	11759	0	0	0	13950	0	0	0	0	0	0	0	0	0	0	0	0	0	10541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10697	16113	23496	6207	13762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	823	0	Peptide	0.35714287	1.0714285	0.14285715
12	C17 H14 O8	347.07614	347.0767	0.13180187	347.0762	108206	131527	114803	125703	142768	76922	50130	50742	153299	212787	181198	46281	182671	61302	59952	61455	45510	181336	185532	172019	180670	210408	82474	58983	27689	87033	49552	82779	34899	32732	43230	41590	72421	36764	310276	32694	64373	54834	57074	117099	180210	63198	3700	584	955	85430	140418	1233	49408	35449	114400	117314	94073	693	165878	127871	71974	72082	46964	57699	54405	111286	250257	146337	56220	186140	79333	51585	156483	134026	214458	37735	32388	24769	41658	37848	529	42222	100442	148018	81619	81186	31335	61231	151713	81220	99378	67622	75625	94093	59258	91165	73752	210881	200744	763	129399	112158	145215	168518	143484	74284	44415	64952	85514	60585	117559	620	44856	220123	Phytochemical	0.47058824	0.8235294	0.0
28	C17 H14 O8	347.07614	347.07657	0.08356556	347.07617	7240	8071	8381	8163	12969	9719	4302	4008	14332	14962	3591	4442	25731	11515	7760	5820	5666	25200	21086	8080	6521	13681	9827	5725	4203	5032	4521	4155	2982	2316	4120	1864	3861	1936	13982	2151	5049	5944	4115	4186	6574	4267	2394	0	0	5941	8156	2082	2830	3253	9343	10501	11281	0	17920	11333	6376	4117	3352	3425	6080	3851	20395	14592	7130	22931	8849	5052	6756	7685	7932	2221	2632	0	2641	2323	0	4497	11902	9308	10962	3726	3677	3134	20844	11552	9108	5800	7103	3829	3715	5660	5071	10125	13537	1787	8632	9783	10015	13594	18675	5492	2335	3842	4975	4578	9769	0	4685	24570	Phytochemical	0.47058824	0.8235294	0.0
26	C17 H14 O8	347.07614	347.07654	0.045520633	347.07617	9983	9794	9507	10403	22972	12549	2974	0	22336	14821	3542	5441	33787	10670	7722	5117	5429	30104	29101	9297	9862	17802	9124	8037	7273	0	2426	1868	0	0	2297	0	5506	0	18923	0	4994	7263	2953	4857	4688	6523	0	0	0	5779	6201	0	3090	0	10889	9539	13218	0	27511	19694	7082	4889	3863	3504	5614	4691	37546	22769	5488	28034	6347	3593	5362	8516	9227	0	0	0	0	0	0	4349	18148	9904	22312	4593	2677	5267	28968	13859	13891	7934	10358	4437	5767	5599	6182	13822	25270	0	8280	13356	13110	22578	19355	0	5049	0	0	3651	15758	0	6081	38766	Phytochemical	0.47058824	0.8235294	0.0
6	C17 H14 O8	347.07614	347.07678	0.137109	347.0762	8461	11339	6779	8557	12913	5995	3129	3035	18928	16977	15475	5076	19593	5723	3964	5266	5703	13962	15923	9035	17074	14392	7471	6235	1233	3276	2931	4420	3060	2195	4324	3879	4972	2833	20397	2310	5713	5657	8094	5684	12620	6477	0	0	468	5486	9332	410	2667	4227	8923	9957	10296	386	16271	14968	8920	5230	3560	5239	6267	6388	25797	16164	6789	14520	7833	5814	10147	9505	15714	2144	3297	2257	1936	2969	310	3243	7723	0	6431	3930	2621	1221	19801	8431	6854	7936	8597	9286	3433	4944	6421	8345	10650	553	8702	8201	13526	22536	21214	5554	4470	6885	0	5289	14819	0	2949	24043	Phytochemical	0.47058824	0.8235294	0.0
8	C17 H14 O8	347.07614	347.07675	0.11624438	347.07617	27084	34336	22477	29696	36554	20295	9018	14165	45426	61133	49606	13228	53347	13524	10266	17430	16941	39414	50583	36679	50727	44105	22213	19155	5752	16829	10001	20024	9484	9039	6913	13480	16767	8836	82731	8283	19989	16629	20730	25362	47533	18266	550	0	486	17036	39195	488	13231	9300	23612	26934	25683	435	51039	40514	18324	16005	9722	20791	15283	22948	68039	43615	17332	43101	21529	20021	41705	32536	68560	10916	8980	6541	14613	12461	402	9704	33494	27452	22653	15588	8277	12358	45564	18700	20159	20815	22392	24291	0	14198	21241	51532	41488	715	32686	33995	44059	58045	47606	19502	14876	16511	20795	16433	39217	0	10780	62271	Phytochemical	0.47058824	0.8235294	0.0
22	C17 H14 O8	347.07614	347.07657	0.10550261	347.07617	26935	24937	23657	23097	49460	29350	4881	7404	46450	31647	16028	8961	73677	23434	11211	7217	7531	71222	42826	18113	17112	45099	22092	13509	9173	11162	7537	8021	3768	3030	5204	4437	13430	4417	32536	2802	12335	13691	3867	18726	18301	12571	2657	0	2071	14931	23133	3092	4369	3655	24806	24640	31935	1757	55544	46916	18921	10130	6357	6782	6384	13950	76160	46124	14186	60091	18526	5322	16770	19604	24308	3563	4403	1680	1399	4005	2095	6618	29322	31663	28403	15603	6570	14169	64625	35720	28971	13786	19756	12661	6575	8682	12839	42321	57496	0	19336	24348	34203	60818	50602	10374	6907	5740	14677	8482	35477	0	7391	81862	Phytochemical	0.47058824	0.8235294	0.0
20	C17 H14 O8	347.07614	347.07657	0.08840112	347.07617	50405	51788	51608	44434	108792	58408	15819	17756	93790	58045	39765	19040	172978	64377	26963	25524	14154	123526	124670	40278	49759	87188	40145	29250	31002	33027	17804	25165	18231	12822	14532	9211	26234	16559	77068	7646	31794	24983	12772	36107	34651	32422	5474	2265	2681	36137	45602	3100	19689	9178	56592	48616	71475	2210	104246	89238	42553	31414	23730	11879	21060	28335	154913	90875	35899	110623	42148	15913	37593	52476	60274	13573	6325	5444	7560	10345	2764	14955	71638	66361	46582	31318	15976	34927	125134	57669	54435	40898	47883	19670	29619	38041	27084	82896	81471	2140	56213	50695	67069	105194	107304	28630	20377	26634	34314	28112	67525	2526	32339	166732	Phytochemical	0.47058824	0.8235294	0.0
24	C17 H14 O8	347.07614	347.07654	0.08425928	347.07617	12065	10591	11368	9177	28555	15758	5331	3839	30457	14372	7206	4773	54547	17933	8857	6441	2585	46058	33229	12716	9672	26630	11532	7658	5532	6614	4786	5833	1942	1278	2232	1689	4441	1755	20380	0	5065	7030	4470	11184	9865	5424	1764	0	0	7030	10965	2538	2599	1275	15446	12346	21248	0	42677	23041	11197	5641	5662	4934	5910	8115	58301	37438	9150	39782	13892	3565	9778	8561	12626	1753	3241	0	1939	2358	0	5666	19628	16820	17126	9447	2731	5369	38658	16765	18622	7743	12214	4910	5209	7994	7244	23408	38033	0	11053	11919	18581	30513	28847	8146	3659	4297	9981	3034	23081	0	6186	53659	Phytochemical	0.47058824	0.8235294	0.0
10	C17 H14 O8	347.07614	347.0767	0.12978514	347.0762	59306	73773	56513	53060	74853	45171	20975	31513	89197	137329	106968	35224	107471	39010	28659	37490	25465	91024	95594	99403	126424	110768	43895	36915	11780	52134	25439	47213	20191	21612	19680	23941	39335	21520	165240	20344	38821	30963	35416	68815	95564	33615	2060	0	700	49231	75890	927	27989	22616	64353	57783	54339	623	92598	76035	43088	43516	26492	34933	53104	53715	131506	91227	35824	92472	45657	38184	107797	77156	130978	21430	24207	18423	22889	22323	605	26048	67395	63653	48450	37478	19210	30444	101499	44764	53670	43028	43654	51659	24717	39489	45328	111923	109627	1259	57854	61672	89808	106474	94766	37581	29762	30329	40031	36852	74392	0	20591	119790	Phytochemical	0.47058824	0.8235294	0.0
6	C20 H14 O2 N2 S1	347.08487	347.0856	0.42001343	347.08502	0	0	0	0	0	0	0	0	0	0	0	707	0	0	0	0	0	0	0	0	0	0	0	0	0	0	811	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	520	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25956	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	464	442	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1	0.7	0.1
16	C16 H14 O7 N2	347.08737	347.08786	0.17293659	347.08743	33917	33281	29630	36217	30852	21114	20732	13991	28729	51297	32574	19953	44550	15635	17949	24489	29172	47029	47223	27748	44492	76775	26067	26309	20033	9588	17366	18588	11376	13872	13379	10143	32380	15137	60552	10568	30459	12702	30691	47176	64661	17703	902	0	0	24949	36602	381	19926	14160	27771	33016	26847	0	25101	27048	21163	23994	17213	23877	20720	39548	44858	33113	15635	46121	23915	29739	26919	27338	41812	11761	8587	3552	16078	11133	0	14391	39638	48256	21735	21807	13786	23208	31936	17259	38053	31354	27362	63434	30315	44613	50969	65451	74668	0	30596	32225	17796	28363	32842	26923	13338	22626	20966	33260	18802	348	23141	52730	Phytochemical	0.4375	0.875	0.125
8	C16 H14 O7 N2	347.08737	347.08795	0.10459939	347.0874	32573	26269	19648	25701	28004	13359	8787	10057	32766	42849	34008	13117	48052	10457	11939	17723	15143	29804	37084	27789	41612	50042	17414	17803	6228	10877	7333	13742	7555	6403	8216	10206	18605	8459	58503	7390	16527	11791	18258	31740	64814	14796	0	0	0	24059	40902	0	11925	11826	18828	27878	19095	0	36509	52376	13028	14313	10735	15902	9173	28533	60443	37673	12887	37798	14236	20488	36922	30454	73924	9135	8149	4816	12855	7780	0	9048	19645	28739	14589	16716	6700	14033	36196	14128	17763	16656	13788	32635	0	15978	29027	45635	43935	0	24901	23390	22225	41529	35341	17621	10856	13305	12504	17968	22765	0	10081	51219	Phytochemical	0.4375	0.875	0.125
14	C16 H14 O7 N2	347.08737	347.0879	0.13265395	347.08743	51200	47685	42047	44663	49112	43787	27723	40463	47566	68706	50504	29655	63982	24564	32480	36830	42722	66940	59766	36493	71027	107541	35790	46233	34530	27144	32832	27559	30923	32014	25668	34152	58125	42732	85743	31067	53788	32770	54595	60663	97577	38024	0	0	0	42186	65436	408	38007	25074	46386	44153	36730	0	39150	33223	25521	50963	26574	29902	32187	49603	60595	44776	25919	55623	40713	48476	53896	55822	78063	30776	28915	15540	35785	27921	0	25303	58507	68563	42528	37971	22540	30887	45760	25046	58172	50549	42015	93243	30417	48042	82539	86536	83030	0	46103	39319	24537	48410	41888	43166	21790	27413	29458	51625	32292	0	37121	75685	Phytochemical	0.4375	0.875	0.125
20	C16 H14 O7 N2	347.08737	347.08783	0.10759262	347.0874	7493	9886	9060	9959	10318	6458	4727	5563	7035	14368	5316	4665	11011	2716	4621	9073	8830	6915	5753	3222	8580	25776	7460	8416	5940	3087	6475	2612	4320	1671	2940	5083	8201	3176	12099	3483	12107	5267	12040	15112	18499	5786	870	0	300	5861	10441	683	5616	3936	8660	8568	4346	335	7675	4211	5643	5301	3116	6902	5034	8440	7455	7384	6001	8378	5893	12642	3612	4384	8716	5078	2659	0	5039	0	327	3523	9942	17666	8822	4870	3895	0	8802	5057	15206	10462	6681	20365	7582	7703	20208	26086	14806	0	8021	7232	4766	8222	4667	11793	4663	6303	5027	6962	3535	0	6959	10340	Phytochemical	0.4375	0.875	0.125
18	C16 H14 O7 N2	347.08737	347.08783	0.14026299	347.08743	17009	20229	21213	17082	22624	12239	11394	7085	14190	32037	13878	10768	25610	10823	8313	9342	18281	23142	28163	10078	13497	34993	12887	16318	6677	5772	10709	9115	5366	5088	9008	4448	21608	6513	21956	4739	13955	10313	15904	28813	39174	13135	778	0	0	15485	18545	697	11554	4795	14958	14680	18262	295	16667	14415	9647	15850	9955	11223	13404	21954	20859	19550	10393	23058	15223	23878	12063	10245	17749	6661	7572	0	8811	0	0	4576	24808	35557	15397	12797	5996	16023	17668	9308	22081	18724	13113	32458	12158	20908	27122	44805	42770	0	16540	16600	8796	13906	14393	14097	6822	11827	10161	18056	14857	0	13851	22480	Phytochemical	0.4375	0.875	0.125
6	C16 H14 O7 N2	347.08737	347.088	0.14167564	347.08743	10263	11585	8254	9676	13166	3466	3020	3390	20635	19670	14028	3924	26784	4847	4126	5513	5009	15593	15295	10549	25699	18832	6403	7098	1889	4057	3289	4381	3621	2664	4297	3064	8252	3491	21531	2854	6094	3874	7293	10512	22201	6028	0	0	0	8492	19764	0	4218	4708	9170	9112	9431	0	18631	16527	6607	5998	5946	6653	4675	9621	33118	17710	6880	14034	6752	9033	15584	11516	24182	4403	3627	2060	3042	4164	0	2698	6281	5801	6635	4815	2000	3703	19545	5497	7906	8760	7153	14963	0	5954	13644	19347	16661	0	10392	9039	9681	20313	17615	8427	4716	7713	0	8969	11466	0	4429	34189	Phytochemical	0.4375	0.875	0.125
12	C16 H14 O7 N2	347.08737	347.08792	0.11200124	347.0874	69458	78318	85778	87732	92266	61478	59564	54090	192944	127782	99274	46262	122202	39499	52194	71768	81018	113694	128054	96522	141220	203372	70972	70156	41024	45066	38652	54724	43012	37181	47906	37946	87298	38564	197366	31612	61752	59264	100728	146588	249116	52974	2002	0	0	90998	158854	0	52200	41776	90844	79946	77300	696	110548	66786	54788	72576	39600	76306	58182	129202	171490	103608	43474	120922	61176	99988	116860	108840	161290	44000	32692	18648	52346	28366	0	44664	87552	103754	65744	79790	42260	55814	101094	44538	96112	65180	71348	189646	52708	98298	126352	186364	133136	0	90186	87032	69744	101956	89934	63384	42334	58820	54750	80140	69862	0	55482	170768	Phytochemical	0.4375	0.875	0.125
10	C16 H14 O7 N2	347.08737	347.08792	0.14773333	347.08743	37311	40008	33662	35111	38213	19960	13469	17848	45208	70669	45255	16541	62716	15230	14067	22990	22256	51799	44895	42811	72678	83209	25814	31528	11436	16933	15852	19513	14936	10068	14799	15517	32726	12696	79393	12199	30707	16319	33643	62403	105703	22465	507	0	0	33407	52739	0	18157	14939	41709	39494	26748	0	57607	35684	17270	26568	20168	26669	23938	49747	71810	47872	18072	47645	24520	34078	70760	49330	89030	14742	13458	6205	18432	14880	0	16387	40465	46007	25642	27745	15168	26463	50503	21002	32589	28858	26467	63653	19118	34675	61081	72167	65884	0	40261	34729	32526	49253	45845	25435	17132	17458	17622	30155	28955	0	16646	76232	Phytochemical	0.4375	0.875	0.125
0	C18 H18 O5 S1	347.09476	347.09552	0.4123535	347.0949	13191	11984	9674	11180	0	23757	0	0	0	0	0	0	0	0	0	3823	0	0	2091	0	0	6158	0	6276	0	0	0	0	0	0	0	15675	0	6895	0	5404	11097	0	0	0	0	4157	0	0	0	0	0	0	5513	2958	10904	7796	0	0	0	0	0	4809	0	0	6667	0	0	0	0	0	0	0	420	0	0	2982	5996	6345	0	5788	0	0	0	0	0	0	0	0	0	0	0	0	14599	0	36486	8924	3235	0	0	0	8589	11749	0	0	0	18211	0	0	0	2633	0	0	0	0	Organosulfur	0.2777778	1.0	0.0
24	C17 H18 O4 N2 S1	347.10602	347.10635	0.16457012	347.10605	1726	2218	2064	2117	0	0	0	0	0	0	0	3715	0	0	0	6321	0	0	0	0	0	6916	1383	14697	17565	0	0	0	0	0	0	0	1674	1056	0	0	0	758	0	0	1783	0	0	0	0	3474	1100	0	1930	0	2243	1108	0	0	0	0	0	4997	2393	1587	2564	0	0	0	0	0	0	0	0	0	0	2161	0	0	1569	0	0	1186	1760	6972	3772	3591	6305	1119	0	0	4448	1191	0	13278	12889	11821	14003	5584	5616	0	4204	2395	0	0	0	0	976	1621	1478	5638	0	0	20459	0	Organosulfur	0.23529412	1.0588236	0.11764706
8	C18 H18 O7	347.11252	347.1131	0.09096062	347.11255	98188	113894	84199	105043	64751	41194	60163	89047	81803	309078	109538	67711	73173	37917	64220	93558	84865	70692	103275	312264	323414	234652	82155	112003	38676	299640	64717	81605	70476	75727	72146	85239	78148	70159	372138	75009	73530	66659	107711	247816	311268	56245	4244	2122	3687	102567	275500	2820	91365	81738	91960	102061	56664	2855	97495	69905	52498	84513	67744	94437	105540	81356	96556	84742	48635	67466	55988	102286	186862	420970	577968	74128	76997	69979	128376	92998	2869	59482	110796	60667	89995	157198	68594	81288	82638	44995	90127	53183	66618	120124	52996	91331	97808	88120	195014	4452	108906	92699	77634	161866	73342	80056	66295	104435	51741	84190	67634	2473	67491	90858	Phytochemical	0.3888889	1.0	0.0
26	C18 H18 O7	347.11252	347.11295	0.077227175	347.11255	25590	30092	27506	25311	36818	22132	9186	17413	40594	51877	26074	14190	67989	24642	19358	16460	13491	49278	43309	40992	47515	43855	24607	25375	13818	33597	7304	23684	13141	11418	11407	12025	17139	13044	61926	11563	16605	14859	12281	36051	29754	16750	5412	0	0	27028	28023	5475	14432	13574	26864	24088	25844	0	43347	39787	19581	16414	12383	10200	18125	21849	59049	32999	12846	47997	16455	9612	49349	63207	68153	12424	12000	10648	7565	17690	0	12768	27992	25081	24545	17740	10620	19614	45142	19925	23271	15875	17210	14191	21843	17747	26631	35917	55417	6149	28092	32181	29349	45807	43487	19518	15026	15555	18607	14931	23855	0	15381	57294	Phytochemical	0.3888889	1.0	0.0
24	C18 H18 O7	347.11252	347.1129	0.06362774	347.11255	52503	46707	43296	49326	71055	44406	16921	23076	67887	86356	48238	18372	111043	38187	32523	27845	21258	79060	73871	58011	79181	67958	40312	33434	24876	75073	12361	35504	23376	23915	22868	20034	34087	22068	97786	21831	36536	26018	22400	61250	45211	25418	8169	5027	12014	46247	50563	6122	26395	18602	44920	42232	47304	7477	81364	62667	33493	34039	23042	17481	33756	35878	93956	70316	25934	85768	35067	18219	72729	124596	108182	21981	22413	18053	14731	20591	10102	25478	50178	45997	44928	32582	18261	42835	78220	38516	53469	31954	38871	24364	44400	37087	41142	59334	89545	6853	44972	49323	47371	78782	73356	28073	21521	35142	36708	25657	50450	6307	25837	106441	Phytochemical	0.3888889	1.0	0.0
6	C18 H18 O7	347.11252	347.11313	0.07438414	347.11255	38318	37527	28617	32081	21158	16967	22440	32156	32483	48444	36033	24257	25725	16478	24132	36313	31879	25544	32805	44580	116658	42559	31529	42597	14192	39392	22300	26590	26618	29381	29062	29033	34354	22039	102058	30238	25374	23993	39947	30825	94846	20185	4544	2205	3397	33778	46012	2645	31494	28029	31458	38151	19118	2846	34886	24482	18173	33674	24775	34561	26983	29786	31843	25125	13881	24724	19886	41365	57344	56850	89065	25653	24631	27018	34558	31821	3097	23720	27577	20366	33536	25070	23892	18691	30015	21102	29256	17524	22891	38861	16272	23349	34098	61166	30090	3775	36526	30629	23936	27872	29449	34271	26746	35952	27155	30384	25648	2069	23947	27052	Phytochemical	0.3888889	1.0	0.0
28	C18 H18 O7	347.11252	347.11295	0.05761997	347.11255	19845	18600	16363	18211	25454	13636	10691	16267	20960	34046	16839	9496	41070	17808	15097	17014	13921	34270	29247	33018	36930	28048	16926	17283	13615	26922	9476	17150	13430	12681	11228	9670	13764	11700	37410	12338	11863	9926	12885	17633	19250	13780	7163	2684	8655	20318	19154	4465	11678	10048	18992	17904	17852	7503	27822	23060	13342	16517	9069	10254	16161	16014	33114	21890	10470	32542	14620	11123	34381	44089	38250	10519	12811	12269	10848	11955	8350	8127	17498	23789	15331	10392	10943	13017	27857	13856	18654	11368	14208	10508	17793	17977	16618	19273	32932	4342	20293	22638	16517	28426	29866	14026	12005	15953	12414	15437	16357	3877	10789	31878	Phytochemical	0.3888889	1.0	0.0
22	C18 H18 O7	347.11252	347.11295	0.102908514	347.11258	120531	112938	93541	106127	156199	103770	48994	64091	159675	200451	94679	48908	178232	95102	74310	77479	46130	203577	154724	165399	182297	149091	88639	83511	64022	191935	43620	98155	68082	52011	58390	68105	89496	59823	220339	56289	89622	67004	51898	127260	124950	64283	15593	6761	10110	109040	116190	13118	59868	53763	103049	105127	109123	7251	168269	139464	70828	85239	58260	46977	75150	106316	214660	153840	58726	166385	80352	43567	157714	262834	255815	64272	47281	44075	40703	55217	7729	56089	106636	82936	98948	79224	48481	94942	173248	103469	88161	74097	75186	65892	88945	90343	95054	121494	173670	10448	103337	105783	110176	150716	134521	73043	52135	74855	83126	80476	105832	6271	61453	225781	Phytochemical	0.3888889	1.0	0.0
6	C17 H18 O6 N2	347.12375	347.12436	0.06856475	347.12378	107445	112817	94496	102235	70220	51866	53791	86452	81362	234276	131274	60175	100548	36512	62285	98887	82816	86828	109059	179310	281710	185568	69822	106724	45171	109465	51551	87676	72540	66868	78518	81399	106976	73289	268766	66992	91771	56499	108890	143970	249256	54158	950	0	0	131189	217047	0	90684	72359	112097	110779	62513	0	88652	60831	41067	94685	59706	99318	92436	120347	95715	79718	33881	86077	64267	113362	161564	216099	313279	72334	68408	63231	38947	62202	0	49741	72591	85208	65370	88580	56711	82595	74488	48550	79944	64844	64501	141266	74254	106580	154608	145361	209566	504	103790	95070	48916	77323	80536	93555	55017	110009	97605	90460	56566	0	57310	109860	Phytochemical	0.3529412	1.0588236	0.11764706
20	C17 H18 O6 N2	347.12375	347.12418	0.09325611	347.1238	24490	24079	22921	20631	24184	22187	21540	21252	22093	32077	14832	19775	22009	15575	15186	28221	24563	24395	27012	13403	24434	35789	25673	27936	21493	10103	25764	18339	23414	15463	18111	17117	34379	25672	23833	15237	30833	16524	23321	24446	33578	16673	1750	724	663	21053	26304	1279	28611	14569	24353	25368	21983	851	20110	14489	15515	26015	15696	15735	26515	19839	19726	22055	11747	23721	19558	35323	12421	17698	27038	19220	13536	9548	14346	16766	747	18512	31678	29367	23712	16447	18344	16243	16899	15036	31288	22225	22455	34913	24356	26228	45325	24536	29455	697	28404	19387	18542	20456	22177	34208	14443	19689	16330	30868	21587	587	32289	33270	Phytochemical	0.3529412	1.0588236	0.11764706
2	C17 H18 O6 N2	347.12375	347.12445	0.07809516	347.12378	11274	10779	9180	9522	11942	0	8247	8656	16604	15855	16505	11099	22009	5768	8736	2856	13108	15862	15517	11275	30037	17198	10311	8964	4194	9244	1883	11232	11635	5736	9123	7265	13559	8527	24376	7483	9549	8821	13944	12737	25093	7966	287	0	305	9079	16190	0	8695	6622	9652	11462	11667	0	17721	11080	6954	11306	5428	11601	4044	10582	22233	15679	7063	15438	9745	16167	16643	16412	25852	9260	7566	5809	1986	6555	0	6242	10442	9228	9706	8352	6176	7310	13709	7000	9030	12217	9139	20427	7258	8450	18955	15641	5001	0	11448	11456	10901	15663	12780	8026	8509	7011	10713	11307	10042	0	9119	20167	Phytochemical	0.3529412	1.0588236	0.11764706
12	C17 H18 O6 N2	347.12375	347.12427	0.051381372	347.12378	235281	247169	241796	231654	154427	118630	201833	198238	140291	315323	199897	129011	154279	77131	133030	200530	403866	192918	237259	334777	381669	386164	173150	234385	177881	226779	260282	184619	163950	144205	166861	166410	246729	140320	430818	155399	224233	148701	521744	354160	423609	116857	1762	479	477	266747	271613	743	178918	156514	246948	248420	143823	703	169616	110823	108690	225107	145600	180682	195526	242345	196209	148136	91688	183814	138610	757645	239127	422258	480715	146264	126697	114339	183570	137870	239	127702	256893	209454	218095	171121	129342	194958	139797	107760	287989	144179	143628	680713	199042	237272	328821	243187	273255	1260	253475	265060	117313	131814	148558	211566	117720	162373	137756	222998	113784	716	227853	232777	Phytochemical	0.3529412	1.0588236	0.11764706
4	C17 H18 O6 N2	347.12375	347.1244	0.07366595	347.12378	36925	41438	34414	35717	27046	17507	20514	29512	32361	56501	45772	22719	39477	14964	23418	42293	47179	30384	36308	52905	78559	63435	28579	36431	15601	39513	23930	27403	21840	20121	20879	20522	31128	18657	83326	22209	29706	24607	63162	50117	100600	22864	0	0	0	39053	73299	393	27680	27954	33854	30659	23460	375	37472	28472	18507	30956	19508	56289	34421	42578	41855	30355	17638	30212	20457	59180	66610	54874	87508	20630	16175	19024	16991	21763	0	17802	41668	37160	34046	32747	38559	32680	40122	23590	42129	27767	20599	96458	23128	27750	62470	40954	50647	870	33598	40115	31152	36382	35623	30941	19850	45883	35006	30543	29147	376	29656	37484	Phytochemical	0.3529412	1.0588236	0.11764706
18	C17 H18 O6 N2	347.12375	347.1242	0.09511569	347.1238	80117	81685	79879	72862	68277	74147	83367	60358	67276	80595	53021	49330	78514	70193	57530	81281	73922	73042	75915	48500	64160	93637	65213	98178	75110	61949	78299	55290	68335	40993	82252	60639	109850	57154	61732	41700	137778	54253	96698	86577	90519	58858	1980	720	769	59996	59070	1172	88281	40655	73287	76996	69775	983	50444	36813	44442	85980	35781	41871	84757	64272	57662	51148	38713	79521	60985	121159	57824	70955	107753	44435	32367	28257	39011	39392	403	44673	92106	61605	62910	47950	45346	54916	48527	47771	102420	82179	66365	114013	82722	84005	133428	68357	81656	964	81611	66521	42527	52518	62338	83949	40926	50157	27150	93352	50633	811	84649	100438	Phytochemical	0.3529412	1.0588236	0.11764706
24	C22 H18 O4	347.12778	347.12827	0.1609822	347.12784	2110	3223	2908	2252	3752	831	0	2114	1533	2939	9143	1098	2593	2288	0	1838	2412	2200	3422	4521	2787	2834	1279	1831	0	27236	0	11055	1732	1637	1341	1324	1921	0	4507	2078	0	0	2082	4500	9946	1223	0	0	0	3443	4781	0	0	1181	4691	2318	2554	0	2072	1916	4347	0	1584	1176	0	5143	0	0	2871	4407	4145	2523	27524	6584	21362	1337	0	0	0	0	0	1274	2857	3600	1525	3640	1673	6164	3010	0	3842	2387	2104	0	1876	0	1517	3664	6550	0	2380	2551	5185	2770	5691	0	0	2093	3068	1606	2532	0	0	0	Phytochemical	0.18181819	0.8181818	0.0
22	C22 H18 O4	347.12778	347.12823	0.10412495	347.1278	4162	5346	5204	5469	4084	2160	1868	1465	1804	3957	13937	2142	2088	0	2348	3655	2998	4853	2276	7617	7565	4072	2579	4234	2497	35640	1369	10113	1860	2003	2930	0	1888	1569	7914	1725	4660	3979	4016	5787	10201	4872	0	0	0	4104	5239	0	2699	2179	2920	3837	4996	0	2988	2790	2665	2055	1849	3874	3405	4705	2545	2132	2471	5692	8094	6835	35752	25008	38671	1171	2053	3123	1652	1673	0	2143	3920	5156	3365	4150	3030	6568	6285	3277	4332	6605	2535	4566	0	3975	1697	7215	30221	0	2997	6445	4597	2445	3229	4051	1054	3160	4608	4568	4663	0	2858	0	Phytochemical	0.18181819	0.8181818	0.0
20	C22 H18 O4	347.12778	347.12823	0.17235656	347.12784	2764	5301	2566	1654	2316	2235	0	2764	1242	3749	7727	2434	1829	1868	2921	2877	2675	1984	4847	0	2715	4107	0	2437	0	17439	1145	6026	2100	0	0	2597	0	1294	8892	2071	0	1107	2686	3374	8245	3556	0	0	0	1724	5115	0	1613	1819	2870	3500	2261	0	0	3221	1941	2284	1047	3078	0	3112	4082	2188	3157	4350	4152	4323	16186	13214	26939	1454	1349	0	0	0	0	1077	1907	4921	2536	2441	1724	0	0	2405	5112	2609	2491	4510	3286	2653	2469	3524	3762	0	1709	2243	2608	1911	1600	3353	1792	2070	3237	2460	2349	0	2480	3820	Phytochemical	0.18181819	0.8181818	0.0
26	C19 H22 O4 S1	347.13116	347.13153	0.33634537	347.1313	3747	4603	2705	4016	4441	2614	0	0	2406	11857	10787	0	4431	3787	0	0	0	0	0	7948	8859	9643	0	0	0	26115	0	13437	0	0	0	0	1845	0	7725	0	0	0	0	10440	15096	0	0	0	0	0	0	0	0	0	4222	3779	3794	0	0	0	0	2591	5397	2953	0	8971	0	0	0	4352	3557	0	23792	14654	23174	0	0	0	0	0	0	0	0	7996	0	4821	3445	14472	0	0	2908	0	0	2156	8148	10255	0	11603	11684	0	3344	0	3163	0	0	0	0	0	0	2111	0	0	0	2156	Organosulfur	0.21052632	1.1578947	0.0
14	C15 H22 O9	347.13367	347.13416	0.08718084	347.1337	16246	12775	14176	16869	26877	28982	9861	15999	58161	29216	6427	6842	54432	12870	15077	10422	6236	48378	43231	20599	19207	14207	17357	10529	8453	0	5377	0	21260	15869	12711	14815	30925	15161	34493	16383	26657	14096	7292	12935	0	21101	0	0	0	7672	0	0	20522	13961	14840	13999	30898	0	104112	31868	9908	7794	18273	0	0	10383	43731	52314	12570	29851	24688	4327	0	0	0	14238	16317	23183	7259	15347	0	13531	9007	0	6400	3353	7698	0	20981	23154	8868	14626	12547	0	10303	19626	11317	7890	12544	0	15741	24768	22430	17474	18686	20978	9361	12154	0	8714	23732	0	5811	54682	Lipid	0.6	1.4666667	0.0
20	C18 H22 O3 N2 S1	347.1424	347.1427	0.46250936	347.14255	5146	2428	4658	2316	3348	6023	9719	5021	3543	4240	1859	0	2019	3603	6234	4424	7537	4296	3371	4244	0	7783	2066	12197	4222	2264	7263	2652	0	3482	12306	11955	6241	14442	0	3010	9111	4362	10218	6720	6394	7719	1114	903	431	8274	0	0	5597	0	4481	0	3755	655	4995	3824	3074	8562	3343	2507	2968	2562	4014	6003	5331	0	3675	4365	1123	4811	0	10073	4569	5512	19130	4620	556	8721	4205	2778	3241	2815	6937	0	2546	0	2720	5982	7054	9381	4081	4124	11913	3807	0	1502	9176	0	0	3844	4038	21580	4787	3624	2956	11881	4573	0	9686	2037	Organosulfur	0.16666667	1.2222222	0.11111111
8	C14 H22 O8 N2	347.1449	347.14545	0.13774315	347.14493	24395	23101	21090	23869	14732	31969	14656	30174	17094	3064	6019	17718	23861	11000	19877	41487	31753	18912	24005	4744	5804	18311	18410	39772	14144	655	20562	243008	36123	22388	22273	35530	34159	40657	5941	34404	38278	16372	32216	0	2737	17836	903	481	395	10350	0	442	32075	21746	22910	25006	17996	432	25402	10800	9540	68310	9224	6843	39151	1885	19910	16483	10442	22336	22741	45409	0	0	0	19952	19465	27085	15826	20447	0	20053	17735	28656	13740	5518	3422	1948	12505	10029	39326	20080	19917	49689	21050	22645	48724	6566	2881	625	23995	23217	12559	13915	11525	48798	16672	8935	0	29108	16245	0	14123	26619	Peptide	0.5714286	1.5714285	0.14285715
0	C14 H22 O8 N2	347.1449	347.14557	-0.052814014	347.14487	9451	13564	11052	13970	27633	788998	0	20027	21694	0	0	4891	9633	0	4200	0	0	19050	6728	2392	3121	10202	4403	6064	2199	0	0	553	15691	6328	7320	11026	17001	22679	2937	12009	12518	1802	2422	0	0	24214	0	0	0	2873	0	0	19273	4904	10043	9621	7331	0	4895	2299	2025	10612	1741	0	2682	0	9027	8253	2084	9513	7868	2413	0	0	0	17753	33119	4286	0	18387	0	21419	0	0	0	0	0	0	1418	2379	1693	34047	9471	2421	4474	5776	17244	0	0	0	14123	12018	4444	1807	1814	56846	0	2883	0	23834	1983	0	0	16780	Peptide	0.5714286	1.5714285	0.14285715
6	C14 H22 O8 N2	347.1449	347.14548	0.098894544	347.14493	27962	27002	24886	25270	25874	28392	18924	36214	67826	8244	9534	27020	32430	11770	28324	46486	36432	47106	37484	9482	9678	28000	26630	33446	14802	0	24378	7970	32926	28344	32010	34580	45802	33656	14016	27518	41760	29190	44712	5692	0	21290	0	0	0	12056	6038	0	40970	25790	32758	23432	23060	0	50046	17638	16254	30530	18638	11016	33090	4928	30636	28410	18490	37172	23756	43512	0	0	0	28336	27046	27100	19631	25822	0	24242	17406	12356	17814	5454	10388	0	25740	23356	17404	29822	25864	43840	31712	24948	50854	5428	6388	0	24708	24498	29340	18156	29270	43646	26082	14510	0	30844	50912	0	13714	50544	Peptide	0.5714286	1.5714285	0.14285715
14	C23 H22 O1 S1	347.14642	347.1469	0.102477394	347.14645	0	0	5928	0	4232	10210	0	6530	0	0	0	2928	3090	0	7922	7388	11407	0	8030	4570	3128	0	15130	9298	6490	5146	3164	0	0	8258	8542	0	9308	5424	0	5504	11172	5150	3209	1546	0	8036	0	0	0	5002	0	0	3694	0	0	0	3970	0	5320	6970	4098	3392	0	0	0	0	11370	12205	0	6537	7568	3974	0	0	0	8892	2578	3908	22988	1538	0	6036	8792	0	2530	0	0	5002	7356	0	6100	0	4944	0	6260	9202	14108	0	3241	0	0	0	0	4666	0	0	5342	0	0	11696	9270	0	0	3548	Organosulfur	0.04347826	0.95652175	0.0
18	C23 H22 O1 S1	347.14642	347.14697	0.25217158	347.1465	0	2886	2034	2471	2571	2663	2403	0	0	0	2104	2789	0	3537	0	3682	0	3320	2390	8965	0	0	2666	0	4078	6148	5785	0	0	2754	0	0	0	0	0	0	3006	0	0	2372	2676	0	1594	710	0	2781	3140	0	2995	2026	0	0	3516	457	4364	2382	3526	0	4868	0	2876	4298	0	0	2877	0	5316	0	4474	0	6308	0	1676	0	20970	0	0	1619	3877	3197	0	2045	2270	2484	0	5530	0	0	3721	0	7559	5059	0	4225	3343	0	0	0	3537	0	0	0	3070	2462	3227	3695	1994	505	2394	0	Organosulfur	0.04347826	0.95652175	0.0
24	C19 H22 O6	347.14893	347.14932	0.091527216	347.14896	193944	182646	153261	181409	213800	148904	73293	145652	182302	266807	150132	107033	330687	135709	133430	168994	110983	257574	250398	303477	281968	181670	157712	176381	101971	299670	76048	146257	133405	111474	123560	150980	176982	136990	302136	144604	196837	103798	115517	217196	186788	106985	22598	12945	23147	153113	137759	13407	151736	122975	175442	161432	155257	17457	219495	206295	108866	177487	113426	78679	172340	150239	264234	185441	86324	264090	143568	115278	267963	399378	387496	148533	131430	121381	88480	131358	15950	113009	184350	106785	146550	106251	103965	140284	209034	120236	155371	111236	131329	129324	157999	159002	205263	131437	178851	19136	169306	174721	141028	232330	232619	169603	98293	154204	105710	145452	128053	13654	104203	271381	Phytochemical	0.31578946	1.1578947	0.0
10	C19 H22 O6	347.14893	347.1494	0.02329235	347.14893	512852	484778	447646	447804	133576	108777	186303	302419	177584	488000	171568	198069	148738	99101	197345	305056	226288	160794	199646	697342	612268	521850	223116	310408	181055	801074	218616	141518	225301	243164	218772	248282	240342	185918	536082	247229	218220	198230	291272	509438	553274	123740	17407	10360	12078	244990	248403	12478	242983	243701	484176	493876	126913	9877	206468	159688	114884	297399	234751	249836	303884	316580	169464	145582	97740	143363	110388	292238	350414	802476	893180	215758	212894	241516	242691	243981	10412	178986	285317	137569	274172	404392	246821	331444	200703	125792	254494	107345	139287	618924	212047	199454	291784	298834	485348	15571	250136	501428	152440	180912	178754	236810	191678	274249	215619	212408	144014	10164	210188	174076	Phytochemical	0.31578946	1.1578947	0.0
12	C19 H22 O6	347.14893	347.1494	0.04745672	347.14893	625950	727279	670103	686186	377415	269069	541194	687343	420412	1250960	522148	410785	345802	220797	446046	807706	630975	420319	562023	1745662	1672424	686823	512772	792303	430316	2045926	563883	431555	555713	626591	554316	656373	582070	500418	1448078	572162	544936	483629	709780	1246168	842797	318947	21944	11204	10511	599234	667397	11970	716449	669262	699563	723735	348050	9181	507163	389707	289022	700872	481771	648690	814893	417901	500072	384876	229362	393357	325253	695531	946994	2389530	2734370	523047	537797	597717	685180	655203	7234	441299	648627	378597	1278906	981910	532918	907924	461653	284538	608600	298536	364981	814468	534443	573119	690708	386444	1162642	15508	689876	683137	406057	437735	442798	635583	422866	715609	410533	527801	374403	10064	510125	490381	Phytochemical	0.31578946	1.1578947	0.0
26	C19 H22 O6	347.14893	347.14935	0.09709538	347.14896	74411	70404	60854	64957	81422	55478	26408	65674	76997	93930	50907	52686	137512	62723	57720	68906	54775	92934	113939	108234	126880	69088	62690	79670	44625	106711	27912	53032	64302	65575	62603	52523	74928	55589	107555	68011	78243	44358	51079	81057	76559	47694	15296	8713	17904	58359	54239	12655	68332	56143	76579	71471	59057	11767	86571	87960	45509	74577	36758	33963	84244	42773	111548	70254	32561	98904	60096	54769	98692	144468	170080	61061	62533	59019	42333	60813	0	50725	68224	40624	63313	40444	42327	48369	93977	47822	62824	53185	50691	55162	64068	61803	88360	44269	60285	15261	67773	82749	53165	104556	108547	73349	46538	62740	35915	50269	51348	9007	40333	97935	Phytochemical	0.31578946	1.1578947	0.0
28	C19 H22 O6	347.14893	347.14935	0.076999255	347.14896	44435	36753	36052	39671	45813	32344	24284	36779	37875	51654	33945	22968	70787	34803	27863	41792	38887	53146	59317	58352	64640	39880	39483	43679	30613	58063	23424	34534	36972	38009	33124	35973	42339	33271	59477	33938	39515	23351	32446	42319	47637	34681	10794	7882	13456	33597	35296	7726	39149	39611	38503	40169	36372	10791	43413	41665	26008	45855	22087	20749	45310	25805	55794	34760	22139	58777	35779	30655	69464	82475	93008	29435	32252	30142	29437	38356	13199	23101	36955	29959	34075	27893	26833	30805	45960	24315	39904	30714	33463	35291	41339	35807	45751	27277	34055	10592	40987	40885	36006	53585	53004	44520	22697	43256	27940	32656	27720	7864	25965	49389	Phytochemical	0.31578946	1.1578947	0.0
14	C19 H22 O6	347.14893	347.1494	0.083454385	347.14896	1282251	1258981	1243527	1258177	916868	660840	942574	1211339	979363	1453862	1090204	897680	969102	582148	920212	1312890	1183866	1021948	1122123	1954305	4218722	1239980	1003774	1257225	898337	5228924	899970	1066226	1025350	1093854	1004313	1263389	2499234	966653	1699549	1100075	1117692	867418	1279467	2857362	1592999	778339	36071	12275	10455	1068304	1176318	14158	1218085	1121133	1257789	1153339	801513	11758	1000026	847980	703738	1376701	992149	1091989	1210114	873757	1115101	963575	554691	938215	745525	1275546	2117045	5821104	6586962	1056084	1035611	1082315	1055411	1172810	9009	843270	1290142	819128	1218019	894015	1075352	2294714	1066734	609785	1253257	714715	866282	1497743	1025849	965733	1482447	764040	2077658	20819	1266075	1178919	805422	1044077	1050756	1086091	867392	1319775	701112	1078635	810690	11344	1021523	976472	Phytochemical	0.31578946	1.1578947	0.0
6	C19 H22 O6	347.14893	347.1495	0.002386815	347.14893	67050	57694	43112	65852	14976	15270	27541	38129	24571	61384	51508	27861	19535	18699	31503	31177	34955	20077	53364	65846	41977	77804	33185	96218	23052	33954	25249	27764	31925	32853	33456	35238	71066	49034	35574	36722	30554	27349	39631	59922	69722	20971	8459	5680	7736	39905	42208	7054	34967	36481	29844	65750	16389	6328	27955	25854	20745	78762	30139	31739	32539	23249	22732	17866	16181	20943	16723	39363	39235	80616	107244	25644	32526	32445	21361	38461	7139	23585	68738	18047	67850	71770	65714	42016	26236	18867	33582	16786	21698	74462	21703	32052	74234	25605	59842	8226	58102	62364	18792	26012	28608	38783	34349	40098	32009	30641	18528	6257	26995	19166	Phytochemical	0.31578946	1.1578947	0.0
4	C18 H22 O5 N2	347.16016	347.16077	0.017121388	347.16016	68570	70768	66644	65907	28817	33880	34500	76908	31700	122739	51170	38949	45687	27237	50650	74571	66508	48816	59351	135933	154989	113159	51834	75922	51105	97838	39374	47646	62250	51458	58024	57986	77344	48573	167172	61324	79702	43082	78437	119215	123546	41867	0	275	0	86562	99033	0	72821	64559	68211	58307	33990	359	55590	22952	19982	58473	24282	41807	66278	74577	43850	42385	16073	38952	40401	69224	88607	145493	127978	53285	43966	55263	44579	50768	0	42142	50284	73131	43154	37454	38509	69895	30806	29764	47779	35745	39844	76068	83951	76737	98480	75277	139320	511	61014	75116	26660	29250	29350	70319	36949	101175	46515	54244	22992	0	42465	43797	Phytochemical	0.2777778	1.2222222	0.11111111
10	C18 H22 O5 N2	347.16016	347.16064	-0.03502596	347.16013	167719	151253	150443	142874	70722	68361	104928	160958	66202	267692	140814	100899	61456	51606	106450	160284	130140	97490	117532	333989	321379	242422	108267	192642	117787	229907	110530	124107	154744	136926	139437	167231	197387	139787	300737	133980	194965	94530	159252	260699	259487	77019	1870	0	409	180946	171541	0	174140	147025	165191	159944	80008	515	73538	39810	45731	179450	90084	125589	178960	133454	64315	67471	40452	81661	74019	179894	200785	353062	321190	150604	136221	128494	132923	132323	0	92510	114382	130148	105547	98174	102377	153812	49377	49138	115091	80483	82734	185244	187421	159634	239393	149545	252036	862	167303	157710	45877	41868	42840	168564	93400	207571	103626	158954	53560	0	121654	85322	Phytochemical	0.2777778	1.2222222	0.11111111
2	C18 H22 O5 N2	347.16016	347.1608	-6.35841E-4	347.16016	35452	33293	29838	31545	17419	20266	26727	40992	17098	40221	25589	28794	19123	12645	29041	19508	39164	24171	26319	43190	71723	45248	26061	32676	18578	29660	11662	27150	34183	26744	32115	31959	40439	29866	57217	32384	34035	26175	44449	42126	54717	18149	244	0	349	26707	37921	0	34147	27525	29974	32636	18182	0	26447	12050	12093	29672	13366	23488	20198	26563	18049	24909	10516	21058	20004	44669	32729	50603	58160	34096	32549	30346	16563	25814	0	23870	31783	32134	27227	19404	21965	27126	12335	12593	29227	21190	21948	59308	32146	36857	57211	37100	29472	0	33565	35846	13225	10986	13174	27256	24323	36858	20526	35870	10722	0	26062	19669	Phytochemical	0.2777778	1.2222222	0.11111111
24	C23 H22 O3	347.16418	347.16458	0.0807715	347.16418	9609	6308	5015	8392	7772	3663	2214	6921	6580	9348	19465	5317	6722	5348	5194	7751	8724	5976	8506	8078	11443	9038	5526	11046	5664	41125	4056	12496	6762	6958	5433	9870	7728	4971	5718	7607	5223	6179	5592	11084	13048	7913	0	0	0	5769	7518	0	6013	7244	7957	6896	11226	0	2750	3435	5719	5872	2807	5861	8405	11037	4671	4807	2922	7566	17331	13813	45941	18429	32585	5755	5424	8265	3721	7489	0	7408	7737	7669	6762	11554	4240	12356	6659	4886	6053	6959	7824	7239	5348	2276	15646	12118	6061	0	8032	12880	6637	4583	5832	9649	4344	9852	13528	8459	6748	0	9404	3745	Phytochemical	0.13043478	0.95652175	0.0
22	C23 H22 O3	347.16418	347.16458	0.041274913	347.16418	6444	10730	6160	7749	5430	3580	5525	6319	4719	4489	8547	5506	4592	4733	6751	13555	11024	5219	4110	3007	6382	4534	7600	11614	7485	27058	4614	6537	8012	8619	5664	8232	6787	7139	6065	8221	8094	12479	8436	9844	12734	6609	0	0	0	8927	7385	0	7797	5750	9832	7642	5565	0	2687	2565	5246	8545	5387	8082	9773	18398	2174	2549	3876	10172	7098	24095	54316	18983	28150	5193	4570	4470	7306	7688	0	7986	6718	12842	7927	14636	7401	11210	7349	4742	8723	6716	8269	12292	6640	7439	9855	21782	4528	0	6359	6055	5242	6701	2025	14521	5766	6792	26621	6250	7776	0	9757	2780	Phytochemical	0.13043478	0.95652175	0.0
26	C20 H26 O3 S1	347.16754	347.1679	0.18677709	347.1676	8140	8873	7738	7883	4852	3653	2221	0	2540	15162	24383	0	0	1831	0	0	0	0	0	24206	17245	18059	0	0	0	69045	1847	30241	0	0	0	0	2630	0	22990	0	3227	0	2590	25509	33332	0	0	0	0	9407	14781	0	3137	0	7910	9397	4723	0	0	0	0	2872	8851	9641	0	17489	2839	0	2312	8049	8811	3448	50971	31700	44759	0	0	0	0	0	0	0	2890	42067	0	10950	11079	30008	0	0	4388	4810	2764	4299	20469	28728	5117	43986	31763	0	8654	7422	5540	3839	7092	4950	0	9696	10245	3943	4531	0	3477	0	Organosulfur	0.15	1.3	0.0
18	C17 H27 O2 N2 S1 Na1	347.17636	347.17685	0.041830197	347.1764	7493	6422	5714	8808	3661	4670	5306	4695	2943	5629	6492	5364	7118	3682	5439	7416	5261	4118	4682	11164	11700	3600	5062	5115	5082	22541	6134	6313	3572	6702	6013	9780	6751	6076	5150	5478	6093	6182	7960	7078	8135	3134	0	0	0	3381	2224	0	8192	8105	6102	6483	6050	0	7323	4838	4421	7368	4181	4317	6123	4056	2657	0	1641	7627	5209	10136	14615	16141	22888	3940	3848	4845	8834	6345	0	4852	6369	5104	5115	3568	4521	3710	4569	4172	8796	4556	5562	9498	5243	2491	6937	4139	3907	0	4900	6860	3657	4405	7042	8178	4495	7588	1697	7411	5702	0	6531	3402	Organosulfur	0.11764706	1.5882353	0.11764706
20	C17 H27 O2 N2 S1 Na1	347.17636	347.1768	0.015074347	347.17636	9840	6983	7079	11055	8448	6388	4104	6609	4223	7057	6758	7544	5210	4449	5349	11307	5544	5971	10595	17073	16858	10275	6407	12290	10895	28842	3929	7412	9738	7681	4645	5330	5650	8078	9147	10446	9381	4751	7626	9988	8943	5804	0	0	0	5037	7547	0	4978	7195	5586	8031	4366	0	4945	7019	3072	6805	4910	6197	9007	5559	5709	3811	3735	7439	6074	7852	16832	19872	32544	6565	6961	5929	7472	6921	0	5738	7643	5517	4540	3869	4263	0	6907	3365	7778	5215	4701	10030	7162	12630	10683	4372	7895	0	7572	10496	4246	7704	8864	9778	6360	9154	3328	5963	6960	0	6690	9628	Organosulfur	0.11764706	1.5882353	0.11764706
10	C15 H26 O7 N2	347.18127	347.18182	0.16239108	347.18134	4600	2170	0	4613	1673	2815	4296	8021	1965	0	0	2941	2289	0	5760	8451	4111	2411	2238	0	0	2936	3424	5609	4147	0	3768	0	5817	6510	7216	7086	11506	4599	1459	9882	6602	3411	2721	0	0	1213	0	0	0	3284	0	0	4817	5284	4218	4697	1996	0	1699	990	2115	7053	0	0	0	0	2967	1955	1751	2993	2164	5375	0	0	0	6366	8339	7426	2070	5614	0	5248	2001	5741	2891	0	1068	0	2158	1780	6692	2761	2945	4620	27667	11544	9895	999	0	0	4075	2794	0	1330	1509	11132	3061	0	0	7995	1222	0	4752	3856	Peptide	0.46666667	1.7333333	0.13333334
8	C15 H26 O7 N2	347.18127	347.1818	0.07059636	347.1813	3602	6918	5690	6322	3255	6919	6582	8443	5250	1604	2246	5233	7243	2103	8193	11100	5595	8239	8344	0	0	8526	6664	8753	7019	0	6443	7048	7670	4859	5869	7405	7702	6413	1338	5837	9239	5114	5027	2364	686	2972	0	0	0	0	0	0	6322	4060	4912	5799	5056	0	9974	2295	2547	10155	2901	0	6960	0	3530	3787	0	7597	3229	7035	0	0	0	5566	6692	5652	2872	3453	0	4388	9348	10484	5648	1643	1962	0	3292	0	8245	4930	3589	9874	18200	24467	20006	2709	0	0	4964	4578	3230	2692	2146	7774	3909	0	0	8736	5115	0	4155	9175	Peptide	0.46666667	1.7333333	0.13333334
14	C15 H26 O7 N2	347.18127	347.18173	0.26445997	347.18137	0	0	0	0	0	0	0	2763	0	0	0	0	1419	0	1615	0	0	0	0	0	0	0	1346	0	2036	0	1352	0	1503	0	0	0	1788	2724	0	1810	0	1557	1991	0	0	0	0	0	0	0	0	0	2057	1477	0	0	951	0	0	0	0	2386	0	0	0	0	0	0	0	0	1374	0	0	0	0	2200	0	1820	0	2266	0	1234	1660	0	0	0	0	0	0	0	1243	0	0	0	23799	14448	4037	0	0	0	0	0	0	0	0	3083	0	0	0	1650	1017	0	1356	0	Peptide	0.46666667	1.7333333	0.13333334
18	C15 H26 O7 N2	347.18127	347.18173	0.41156596	347.18143	0	2872	4670	2154	0	0	2112	0	1055	5128	20895	1722	3025	0	0	3188	0	0	0	0	0	1611	1138	0	0	0	0	726045	0	0	0	0	0	0	0	0	0	0	1495	0	0	0	742	0	0	2124	1287	0	2977	0	3131	0	0	0	4981	1173	1349	0	3644	0	2796	2190	0	1484	0	0	1489	0	0	1835	6175	0	1609	0	0	0	0	1983	0	7456	0	1912	0	0	1657	0	0	0	1753	0	24081	53997	0	2957	0	0	1563	0	1896	0	0	0	0	1806	0	2480	1628	0	0	0	Peptide	0.46666667	1.7333333	0.13333334
6	C15 H26 O7 N2	347.18127	347.18182	0.05277654	347.1813	6784	7808	8749	10939	5740	7204	7773	11334	7266	2567	3794	5322	14265	3337	9635	15408	14959	14922	8930	1909	2141	6836	8706	12128	7984	0	7106	8231	11347	9517	12141	9833	14818	11490	3306	10364	16443	8352	22497	0	0	4150	0	0	0	4701	0	0	11600	6653	8517	7813	6984	0	7873	3806	3332	11595	3156	2643	11879	0	12103	4408	2107	13381	6572	14059	0	0	0	8408	8709	12200	3927	6762	0	4967	6409	7322	4494	2365	2880	0	4634	6147	8612	7735	5746	16113	22345	36952	16727	2939	2116	0	8415	8763	3910	3437	6080	16000	5696	5309	0	11861	5294	0	6409	15263	Peptide	0.46666667	1.7333333	0.13333334
26	C20 H26 O5	347.1853	347.18573	0.059653286	347.18533	209801	214626	196579	195126	260761	151780	103288	222191	214189	166678	127766	136146	450077	265936	161631	256834	151323	275622	350902	262258	239706	199963	183815	232476	155637	201910	107663	139779	207421	198751	188342	191257	237718	161264	220782	220330	263738	140974	169954	174167	163230	159480	20128	22145	26444	155616	123903	28785	218215	172101	213302	201339	184529	20837	301597	372552	148506	237682	137242	107233	248953	117020	308557	222613	102602	314550	187824	178644	202533	276470	254158	158309	180282	189642	145918	198092	20398	137547	256621	137537	207888	108429	137024	128552	272286	151600	265091	140249	156981	302247	205586	205189	312031	132816	183135	22145	204968	222606	153732	484074	474563	252125	123944	204726	115749	162180	173428	21614	153467	275835	Phytochemical	0.25	1.3	0.0
28	C20 H26 O5	347.1853	347.1857	0.02255276	347.1853	67920	61899	62453	59825	79525	54657	43823	68152	52846	52188	36558	38353	214036	187883	50250	80945	54416	68259	90754	67743	60433	52694	64639	69430	45360	65512	48263	47412	67131	60228	58003	62283	73024	57137	56589	69571	68817	41759	51157	43930	44541	49490	12177	10024	15293	45101	38770	15876	61380	69593	67682	63653	61054	15222	60912	144903	40820	82832	37583	30141	74953	28193	63186	52967	34962	103467	60880	60469	53219	82655	81687	47314	51769	61256	43150	57844	17313	39041	98402	35785	56412	29676	39992	37887	67120	35742	108215	45752	44300	93670	64161	58083	88605	35432	48283	13086	64300	66738	47263	138681	162889	80033	45953	62540	32421	62708	48124	9337	48512	53539	Phytochemical	0.25	1.3	0.0
22	C20 H26 O5	347.1853	347.1857	0.06591274	347.18533	1958581	1994318	1700562	1897220	1724864	1355234	1246408	1906160	1564858	2678537	1893019	1169612	1721002	1253367	1502740	1911757	1661721	2118251	1922951	3424972	3431319	2351362	1508631	1946739	1465636	3257595	1188170	1732443	1962528	1708624	1590585	1862824	2169118	1830804	2788540	2006000	2298421	1272419	1661327	2159702	1988005	1241316	59297	18550	12602	1442857	1422646	26085	1844941	1601026	1868969	1876750	1432096	19041	1871281	1745378	1061678	2022691	1296148	1222939	2020933	1478697	1832406	1531346	802644	1909720	1479059	1739962	2669226	4255812	3855830	1591785	1475985	1618929	1352772	1758736	11994	1267535	1703533	1311636	1415449	1009462	1346012	1459853	1651834	1231722	1826215	1409138	1479446	1959240	2119100	2152288	2215077	1583747	2686207	27413	1695418	1946186	1380526	2293094	2136021	2335903	1148590	1929456	979935	1822936	1389328	21400	1340123	1865637	Phytochemical	0.25	1.3	0.0
18	C20 H26 O5	347.1853	347.18573	0.030419447	347.1853	1795963	1714831	1654096	1534525	1342859	1148113	1436985	1820930	991321	1660104	1355397	1205827	1323718	973688	1333342	2138939	2171220	1442169	1867174	2393283	2295147	1505833	1441612	1879731	1162412	3191161	1453372	1237690	1643290	1623646	1479158	1766599	1994929	1512823	1553952	1693510	1813412	1273813	2310341	1547121	1812757	1155298	42252	10850	9101	1165308	1181698	13469	1808119	1606323	1717005	1670047	1201539	13419	1426519	1301110	990860	2083516	1033053	1375508	1770196	1033665	1351586	1141891	795808	1349935	1240039	2439647	2461799	2964461	3875134	1277065	1212379	1612253	2099236	1700906	6953	1068624	1851462	1147738	1495280	982136	1304687	1210823	1540688	1173260	1788460	1227421	1249671	2300828	1652386	1641253	2175552	1000087	1455357	17985	1703015	1645824	1205384	1739003	1871420	2065756	1106371	1681077	676990	1423647	1063559	10611	1485789	1184060	Phytochemical	0.25	1.3	0.0
24	C20 H26 O5	347.1853	347.1857	0.04831109	347.1853	879318	873020	793233	855459	793031	660042	437716	849754	704627	1187384	761931	505039	1399937	651903	649309	937822	623588	1024405	1191216	1437094	1358448	906541	702941	963796	575092	1072710	412832	741454	784108	762903	694702	827295	930674	788123	1306561	841014	1121330	532204	673529	921214	762216	530124	85774	67133	80798	690555	633033	97240	870368	664977	854050	818541	659652	69937	949391	969014	480522	985648	658899	456518	955560	640437	958271	725112	350611	1100111	703547	677588	1001767	1504189	1319626	749033	744172	733096	532047	738580	72887	578351	891829	556264	756881	485193	531970	621852	801747	476688	843108	519681	662177	953527	956346	971192	1152730	663695	1002022	78312	847792	896327	602110	1334207	1327895	932241	490326	933973	475989	820275	583653	75364	669780	920737	Phytochemical	0.25	1.3	0.0
0	C14 H26 O6 N4	347.1925	347.19315	-0.12351881	347.19247	2568	5101	3333	2777	2150	32370	2460	3641	1783	0	1929	2440	3518	0	1881	0	5643	6950	3138	0	0	0	1621	1901	1472	0	0	49993	4973	0	4006	2030	10813	4537	0	2544	4484	2838	6214	0	0	8251	0	0	0	0	0	0	1899	0	3610	2808	3502	0	1576	652	0	3512	0	0	0	0	3158	1162	4749	3653	3302	6486	0	0	0	2566	2658	0	0	0	0	1618	2019	93405	1443	0	0	0	1039	1931	1887	3260	2680	3200	59144	24159	2629	10558	0	0	3280	3785	2547	922	1282	2109	0	0	0	2357	1181	0	1976	4906	Peptide	0.42857143	1.8571428	0.2857143
2	C14 H26 O6 N4	347.1925	347.19315	-0.06269056	347.19247	5869	8872	5969	7109	632	18562	900	3907	518	1066	5165	710	2467	648	1820	1503	3202	3203	580	0	0	1493	824	6301	1250	0	0	78460	2407	3358	3178	1848	5716	2467	0	1739	4950	1905	3757	0	0	0	0	0	0	801	398	0	4893	2817	6170	6343	1274	0	431	249	0	3113	0	0	1341	0	1197	521	0	2243	1203	2563	0	334	0	2807	2122	2200	441	2722	0	1042	1268	517613	916	0	0	0	286	770	1560	1904	2277	3989	168381	84754	2824	37297	442	0	6876	6483	1553	546	815	3589	1911	691	0	4673	492	0	746	2244	Peptide	0.42857143	1.8571428	0.2857143
6	C19 H26 O4 N2	347.19653	347.1971	-0.015652517	347.19653	28111	27416	27577	26995	10163	13286	18008	35328	7082	37283	20126	14293	8260	5645	21073	42817	25860	14665	20149	55034	55199	39724	21342	41905	32577	28338	18043	16958	28473	24822	24662	30310	41822	24245	40261	30354	35667	18134	25660	35594	24463	13206	0	0	0	31642	23864	0	38830	27033	30682	27066	12998	0	12139	4865	8886	44457	1792	5761	42280	18335	8613	7684	11216	11839	17655	34258	20776	53300	40461	26865	25150	24295	27453	23347	0	17928	20441	13576	18295	4816	5047	26385	4346	20945	20753	22173	26535	55488	34866	13889	65812	21704	44315	0	29220	27695	4328	4561	5898	35544	14393	32817	12466	49216	4965	0	25806	10048	Lipid	0.21052632	1.3684211	0.10526316
18	C19 H26 O4 N2	347.19653	347.1969	-0.15217169	347.19647	18835	16201	16024	11237	5852	5031	14851	11856	3085	14108	19879	10003	4647	5557	10040	20537	25626	4560	6287	24397	24799	23246	10960	21470	7763	16752	16177	19943	12361	13392	12591	14321	20157	18621	24041	16127	19148	9714	31560	27261	24465	7172	276	0	0	19911	11749	0	18921	14522	15889	10830	7958	0	4435	1686	2825	21815	8540	19052	17966	14817	2034	4013	3866	7348	9918	26898	13295	25002	29910	16111	15152	11794	16319	9953	0	6182	12135	16737	9730	9129	13214	19198	2064	2361	15575	13075	7661	29420	24574	21386	30705	19126	17093	0	18579	13446	2414	1438	2603	20368	8742	18401	7033	20370	4156	0	13982	4843	Lipid	0.21052632	1.3684211	0.10526316
10	C19 H26 O4 N2	347.19653	347.19702	-0.02106179	347.19653	29233	29980	30693	27195	8906	13393	21016	45276	9458	44682	22438	19563	7841	6455	21010	52984	32164	14373	13536	56394	50717	29181	19252	49241	29018	32060	24226	23714	42840	39862	33704	42651	43556	35823	42185	45695	48566	14881	33659	41079	18777	13657	0	0	0	29403	22368	0	47813	37498	28201	33033	12578	0	8311	2679	6980	55283	0	7963	41070	13500	5809	6406	4388	10030	14892	46300	23915	48357	44249	32870	34119	30253	38950	40163	0	18634	18880	19318	18323	5628	4524	23824	4498	6534	19873	18296	17632	49247	43280	14667	59505	16044	38073	0	28814	32073	6094	3567	3750	43367	20333	28484	0	41050	5073	0	23910	17667	Lipid	0.21052632	1.3684211	0.10526316
12	C19 H26 O4 N2	347.19653	347.197	-0.048194233	347.1965	19666	22463	22651	17887	7478	7425	16233	33743	4035	26414	18294	14655	3936	7405	13046	25016	25762	8012	10718	40967	46248	22394	15313	26757	20736	26853	13963	23137	21611	19634	25264	27522	41098	28106	36165	27398	31865	14800	26179	36781	26498	7977	0	0	0	20932	15307	0	25244	23301	17851	18863	9889	0	3366	2814	5327	24750	0	8769	19390	17990	5221	3954	3513	5953	10118	30067	25778	49814	44509	23238	27510	21955	17193	24897	0	16357	14723	0	13121	5600	5556	23351	2692	4200	16997	12473	12116	44378	25277	16375	46408	15029	27766	0	17869	19597	4205	3573	3625	30733	15279	15079	0	28126	4947	0	11189	11413	Lipid	0.21052632	1.3684211	0.10526316
4	C19 H26 O4 N2	347.19653	347.19714	-0.008129127	347.19653	17292	17944	15567	16139	4267	9473	11469	25623	4396	17598	9545	12543	3942	2673	16325	23571	21403	7605	10182	24455	26251	22031	12732	24791	19804	15025	14347	9720	18213	14840	16222	18453	19803	17423	27404	17456	19306	11521	24048	18850	14464	10110	0	0	0	16562	16756	0	22176	19475	16535	13504	6765	0	7022	1959	4618	22772	1788	3436	25007	11354	3268	5156	3948	5430	7939	26190	9941	21205	16121	15575	14389	17886	23776	13419	0	12860	18463	15356	13237	5029	4948	13945	2361	5045	16043	8369	9038	34800	26997	13044	45736	15860	32316	0	15483	17352	3459	1949	2940	19262	11414	23389	6466	20417	3173	0	16587	4355	Lipid	0.21052632	1.3684211	0.10526316
2	C19 H26 O4 N2	347.19653	347.19717	-0.0405647	347.19653	9719	8820	7087	8062	1198	0	9105	15024	1501	9536	6607	7403	829	2036	9742	12546	12570	2719	4176	11440	13742	10028	8897	13171	9062	7716	5957	6572	12623	11973	10442	12776	12924	13551	12159	12741	11378	9269	13803	11794	11137	5953	0	0	0	6839	8109	0	11409	12639	7991	9025	3151	0	2784	858	2004	14154	1978	2666	9148	6981	1437	1770	0	1941	4239	16942	6184	9568	11113	11077	12810	14726	11399	13530	0	8968	10796	4885	9096	2737	4205	8304	809	2476	9992	4453	4013	23719	11766	8291	22365	8248	11287	0	8328	12492	1158	424	988	9071	6866	11365	4549	13011	904	0	9320	934	Lipid	0.21052632	1.3684211	0.10526316
14	C19 H26 O4 N2	347.19653	347.19696	-0.05128239	347.1965	16098	16411	18315	14719	6042	7184	12931	23944	4796	28560	17743	11167	2139	6347	13156	33457	24759	6379	6618	29904	33091	26328	13087	33487	21331	27715	14060	15431	20062	18863	19775	26356	29582	21690	29244	24086	22047	13570	27275	25511	19728	8483	0	0	0	18095	19343	0	22455	19720	20937	16524	7727	0	5169	2263	5327	23377	0	12527	32352	12274	1663	4569	4376	3549	10916	25660	13962	39443	39247	18401	16320	15971	20825	21033	0	13413	16821	0	11438	8242	8655	22623	2634	2452	12438	13467	9673	31432	27147	19552	42442	13459	25249	0	15430	21519	3156	3293	1792	22885	12169	22058	0	25659	2906	0	17176	2938	Lipid	0.21052632	1.3684211	0.10526316
16	C15 H27 N6 S1 Na1	347.19882	347.19925	-0.002674384	347.19882	2780	0	0	0	0	0	1462	0	0	14215	7956	0	0	3852	0	0	0	0	0	0	0	1695	0	0	0	0	10532	5350	0	0	0	0	0	0	0	0	0	0	0	2503	9697	0	6030	0	0	5102	3284	946	0	0	3973	2394	0	0	0	0	0	2935	51166	6535	10779	5347	3963	0	0	0	4199	0	6334	3116	3793	0	0	0	0	0	0	0	0	4903	0	0	0	0	0	0	0	0	1183	0	3573	0	0	2071	0	512	3546	0	0	0	0	0	0	18218	42094	0	0	724	0	0	Organosulfur	0.0	1.8	0.4
24	C17 H30 O7	347.20642	347.20618	0.014515734	347.20642	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	144373	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1503	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8926	0	0	0	0	0	0	0	0	0	0	6169	4145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.4117647	1.7647059	0.0
22	C17 H30 O7	347.20642	347.20676	-0.1206072	347.2064	16202	10366	14344	12800	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3455689	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11176	14679	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1655	0	0	0	0	0	176282	0	2889	0	0	0	0	0	0	0	0	0	0	0	4872	0	0	16994	13004	0	0	0	0	0	0	1808	0	0	0	0	0	Lipid	0.4117647	1.7647059	0.0
22	C18 H31 O1 N2 S1 Na1	347.21277	347.21317	0.022652058	347.21277	6648	5718	3152	2908	2023	2222	4125	3528	2170	11275	7733	1716	0	0	4135	5356	6566	4209	6645	13649	12490	6953	2203	1993	4023	17984	3067	3875	4903	4440	7775	6724	6533	3515	9709	3972	6350	1762	6479	7912	7507	3142	0	0	0	2764	3345	0	2953	2250	3346	4679	3839	0	3861	2549	2307	5338	3504	3062	5145	4260	2716	2005	0	5035	3800	3393	9680	16403	22157	3304	3300	4192	5227	5583	0	2377	6101	4154	3147	1969	3985	5661	3531	2484	5138	4518	3170	6331	0	6062	6241	6037	6172	0	4969	4740	2218	6669	2592	4825	2856	4367	1398	3359	3400	0	5174	2234	Organosulfur	0.055555556	1.7222222	0.11111111
0	C20 H30 O1 N2 S1	347.21515	347.21622	0.24296011	347.21524	0	0	0	0	0	0	0	0	0	3214	3397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31631	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27206	0	0	0	0	0	0	0	0	0	0	8200	0	0	2322	3770	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.05	1.5	0.1
2	C16 H30 O6 N2	347.21765	347.21823	-0.07188899	347.21765	2546	1788	1570	1583	1016	0	658	1024	837	367	0	372	1175	371	1844	2182	0	1186	849	0	451	3612	3921	5515	2546	0	0	2970	969	870	1166	1497	1257	1392	835	1604	1365	1303	784	698	0	0	0	0	0	1158	0	0	1012	481	2139	955	782	0	826	322	282	4542	0	0	2152	0	1028	623	0	1443	0	849	0	379	0	680	947	982	316	792	0	525	1452	51674	1047	0	0	535	580	735	2914	684	886	8621	13660	9918	10550	3724	625	0	1465	1515	641	579	569	695	706	0	238	3969	1120	0	1600	1040	Lipid	0.375	1.875	0.125
26	C21 H30 O4	347.22168	347.2221	0.044649202	347.2217	370462	342712	367833	339919	402776	241072	326259	371297	331491	324865	353448	168471	392250	277664	418237	349221	260187	396076	567989	525958	475164	480221	208438	301689	442710	595968	289270	450473	479119	379777	361892	426834	522844	325084	461432	518135	514907	405139	276102	407474	312743	323550	16077	5867	0	263830	186128	5981	395828	285550	376691	356143	320010	0	429932	358474	223440	469402	329937	161240	381115	267892	362027	276966	169992	410177	437676	301476	489455	598282	501175	243034	333507	442859	234159	359352	0	244834	324571	609608	210049	222821	347142	330392	339755	269619	542740	218464	310774	401608	525355	622826	611761	619601	524870	6361	366947	399491	274134	391582	409523	578614	193302	383418	287201	312562	302642	0	343464	372646	Lipid	0.1904762	1.4285715	0.0
14	C21 H30 O4	347.22168	347.2221	-0.005395597	347.22168	7008	6369	6943	4973	1933	2119	9795	8302	3186	2052	3927	6122	0	1642	8119	4597	14125	0	2544	1870	0	0	5113	4095	10480	2071	11623	0	5297	4883	6564	9636	7746	3688	0	8384	4255	8406	15041	1641	3759	5700	0	470	574	1648	3722	830	5966	5886	3671	7287	4566	524	2357	5912	4871	9098	0	5956	0	2423	0	4048	4490	2496	4010	20551	0	2949	1747	2663	6612	4135	14376	6601	453	3374	9445	0	10351	3604	8454	2471	5885	3007	11609	1710	3751	24896	3574	4636	8720	0	2813	749	8396	6331	3434	11501	9840	7733	5356	5865	0	7602	6552	493	9092	0	Lipid	0.1904762	1.4285715	0.0
16	C21 H30 O4	347.22168	347.2221	-0.06449817	347.22165	17907	25411	27381	22751	14777	10504	40232	23108	11035	7177	13312	18820	13681	16716	19823	32952	55040	9608	16287	18377	10940	19932	21370	25045	27249	17935	36296	16860	21629	25231	21507	25710	24290	14955	12109	28066	25321	23434	72209	5766	16375	17328	1548	561	413	11268	16684	884	20107	30506	27407	28039	18367	657	16403	15595	20027	30995	10687	23524	24249	5896	9246	12493	15987	13427	14680	61029	13644	17102	21951	8980	14690	29542	50317	28281	536	18267	32694	15091	25305	11033	26803	24264	29766	21646	48034	13656	15497	94034	21086	25086	0	13021	15050	819	20273	29490	14903	30308	37890	26090	14010	23770	7626	29236	29951	792	34632	9598	Lipid	0.1904762	1.4285715	0.0
28	C21 H30 O4	347.22168	347.2221	0.010735569	347.22168	41031	34258	36272	37230	41271	24181	48013	46269	35493	26627	29663	21513	42506	33568	39635	41443	42328	37541	59274	35093	34395	35757	33739	37360	51657	47424	43750	41823	54847	52656	37347	48934	64367	36063	38118	66194	50492	41071	44803	27254	26533	35686	5155	2754	4291	28859	19885	4736	46189	40241	40482	36415	42001	3329	52730	46039	25749	57652	32777	15411	46363	21396	37612	30230	22422	55476	51360	47310	40198	43814	42944	24483	32655	54091	25400	44185	5240	29745	48819	33942	28199	23207	34084	29690	48858	30779	88090	23709	32745	53654	55627	57320	51810	31787	26948	3270	38364	35466	33066	57864	66742	71777	26573	42742	28063	44300	47452	3011	39349	42415	Lipid	0.1904762	1.4285715	0.0
0	C15 H30 O5 N4	347.22888	347.22937	0.0884654	347.2289	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1081	0	0	0	0	0	0	0	0	0	0	17301	0	0	0	0	1555	0	0	0	0	0	965	0	0	0	0	0	0	0	0	0	1240	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1380	28238	0	0	0	0	0	0	1787	0	0	1871	21187	7108	1922	1673	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	2.0	0.26666668
26	C18 H34 O6	347.24283	347.24304	0.15515845	347.24286	0	0	0	0	3043	0	0	0	0	0	0	0	0	32308	0	0	0	0	9640	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	287206	0	0	0	0	0	0	0	0	0	0	2433	0	0	0	0	0	0	0	0	0	0	0	2773	4861	45567	0	0	0	0	0	0	0	0	0	0	0	0	7159	0	0	0	0	0	0	0	116337	20940	0	23677	20286	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	1.8888888	0.0
18	C18 H34 O6	347.24283	347.24313	-0.10404049	347.24277	0	0	0	0	0	0	0	0	0	0	0	0	0	990	0	0	0	0	0	0	0	0	0	0	0	0	0	1845	0	0	0	0	0	0	0	0	0	0	0	0	0	1266	0	0	0	0	0	0	0	0	0	0	0	2235	0	0	3548	0	0	0	0	0	0	0	7916	2866	0	0	0	0	0	0	0	0	0	0	0	0	0	104773	0	0	0	1304	2337	7722	0	0	0	0	89232	36203	0	1602	0	0	0	2168	0	6539	37436	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	1.8888888	0.0
20	C18 H34 O6	347.24283	347.24323	0.075886875	347.24283	0	0	0	0	0	0	0	0	0	0	0	0	0	18361	0	0	0	0	0	0	0	0	0	0	0	0	0	2309	0	0	0	0	0	0	0	0	0	0	0	0	0	3133	0	0	0	0	0	0	0	0	0	1669	0	1430	0	0	0	0	0	0	0	0	0	0	5161	1910	11995	0	0	0	0	0	0	0	0	0	0	0	0	165526	0	0	0	0	0	0	0	0	0	0	65299	47978	0	6780	1934	0	0	0	0	0	2389	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	1.8888888	0.0
24	C18 H34 O6	347.24283	347.24307	-0.035840996	347.2428	0	0	0	1426	0	0	0	0	0	0	1103	0	0	4515	0	0	0	0	0	0	0	0	0	0	0	0	0	1505	0	0	0	0	0	0	0	0	0	0	0	0	0	12799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	908	0	4271	0	0	4082	0	0	0	0	3166	0	0	0	0	0	0	0	0	0	0	0	0	19722	0	0	0	0	0	0	0	13816	2525	0	34997	29633	0	1572	0	0	0	0	1381	0	0	0	0	0	35449	0	0	0	0	0	Lipid	0.33333334	1.8888888	0.0
28	C22 H34 O3	347.25806	347.25848	0.004211974	347.2581	27575	21562	20460	24374	15013	7895	71327	26894	18027	13370	32960	18737	15180	21210	40262	30170	51622	15025	24347	18323	13433	16586	29146	14781	38481	43169	55088	55806	34369	35574	18451	28356	30505	22359	18084	41567	19848	49311	48395	15046	18646	23762	5465	3848	5824	17338	13960	3559	25295	28594	25490	23212	19178	5788	22503	18250	15804	33162	30343	19881	29811	20282	15427	16098	21880	30030	42098	47143	33467	18161	18733	11424	16610	39730	22566	26493	8715	16706	29986	49405	15099	26612	31202	30917	30354	22312	74454	15488	17664	50373	39782	44661	19900	29029	17652	4559	23165	25021	14152	23253	32164	38295	19044	28861	36504	23009	24019	4028	26611	11456	Lipid	0.13636364	1.5454545	0.0
26	C22 H34 O3	347.25806	347.25848	0.016435962	347.2581	95749	81305	90849	86200	55683	36706	405199	89858	49882	44164	101383	49455	36455	107425	81982	104165	172948	46583	77402	67776	54203	62038	47319	42667	106852	145765	414766	173925	111880	131329	67674	109146	98757	73266	63066	129977	86955	83971	182173	59292	97165	78330	6017	0	0	43611	68108	0	107670	79123	95601	87962	64134	0	63431	57976	64485	109881	68318	81902	115434	53078	68382	36755	103213	94905	163206	185896	96903	72806	82036	39266	75992	167840	137593	99011	0	57624	104693	166818	54471	97828	129277	118232	66726	86562	281542	49876	75778	243213	164471	144867	82989	82531	76212	0	84537	93668	54764	65527	72530	148081	42303	114924	96252	64017	56094	0	117823	35461	Lipid	0.13636364	1.5454545	0.0
20	C22 H34 O3	347.25806	347.25836	-0.02684205	347.25806	0	1557	2467	1461	0	1520	19442	1542	0	0	0	1877	0	2677	0	2528	13350	0	0	0	0	0	1846	0	3451	2276	20925	2541	3886	1530	1851	2872	1956	2006	0	3615	1811	2970	17337	0	0	2464	0	0	0	0	0	0	5425	2559	1527	3529	1944	0	0	1204	2921	3710	0	2003	2265	0	0	0	2273	0	2187	16942	0	0	0	0	1532	3302	17330	3349	0	0	2443	0	0	1215	7737	0	0	2731	7913	0	1742	14657	0	0	2359	0	0	0	2395	2787	0	0	2096	3160	1887	1433	0	0	0	0	3682	0	Lipid	0.13636364	1.5454545	0.0
22	C22 H34 O3	347.25806	347.25845	-0.08376518	347.25806	13750	19698	15803	19408	7094	7148	102760	10214	4810	3234	11292	11903	3597	18035	13446	30493	70313	4328	8100	5075	2437	4935	9041	8836	22095	16168	97371	19398	24957	27271	13628	25337	18286	14866	3574	28420	13065	17968	65958	2260	12284	11171	0	0	0	5276	12892	0	22709	21077	18579	14832	10335	0	6716	10128	12115	27492	3564	19686	24161	2244	12246	4683	21011	14479	24584	68313	6880	6368	8219	4691	16841	29040	53414	25423	0	10129	26363	20942	11931	11286	38741	35124	11409	14307	44000	11728	13864	71162	18956	12146	8193	6910	5510	0	15300	16356	10158	9410	13023	30819	10820	8205	6521	16851	9676	0	27025	0	Lipid	0.13636364	1.5454545	0.0
10	C21 H34 O2 N2	347.26932	347.2697	-0.044029064	347.2693	2461	3063	1044	1784	0	0	0	7482	0	0	0	2455	0	0	2703	10907	4649	0	0	0	0	0	2563	12054	8094	0	939	0	4816	3220	3843	3736	1748	2386	0	2758	2103	3007	4141	0	0	1169	0	0	0	0	0	0	5110	8372	1838	1171	0	0	0	0	0	9931	0	0	11222	0	0	0	0	0	0	9669	0	0	0	3435	2167	1873	3748	2205	0	2230	6420	0	3521	0	0	0	0	0	3000	0	1064	20090	0	0	11979	0	0	0	2040	4080	0	0	0	1792	1713	0	0	9667	0	0	8462	0	Lipid	0.0952381	1.6190476	0.0952381
26	C23 H38 O2	347.29446	347.29468	-0.021544006	347.29446	8662	6953	9052	4387	0	0	207774	0	0	0	23204	0	0	47301	6125	0	9766	0	0	0	0	1760	0	0	0	26654	203638	32738	0	0	0	4952	3589	2672	0	6015	2471	9044	16373	2447	11481	0	0	0	0	0	6090	0	4252	0	8389	7969	3101	0	0	0	8878	3886	2968	13127	20897	6305	12159	0	51637	3065	15489	13824	17672	4779	6413	0	0	0	0	5370	0	0	3404	33383	0	19140	19097	26075	0	0	14046	0	4110	9458	16815	6432	5466	5634	0	0	7212	8236	10067	2098	0	0	2784	15476	9598	2557	0	0	6079	0	Lipid	0.08695652	1.6521739	0.0
24	C23 H38 O2	347.29446	347.2946	0.020315073	347.29446	1172	0	0	1216	0	0	36116	0	0	0	1259	0	0	6572	0	0	1804	0	0	0	0	0	0	0	0	2212	27487	3626	0	0	0	1182	0	0	0	0	0	0	2577	0	0	0	0	0	0	0	0	0	0	0	840	0	0	0	0	0	1275	0	0	2194	1933	0	1785	0	6021	0	0	3291	1508	0	1988	0	0	0	2931	0	0	0	0	2993	0	1271	3768	4857	0	0	2714	0	1016	3656	2756	2064	0	0	0	0	0	0	1072	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.08695652	1.6521739	0.0
28	C23 H38 O2	347.29446	347.29486	-0.010179249	347.29446	4814	4207	3628	4281	4099	2289	51981	4752	3386	2079	15113	3021	2811	10477	5040	4431	8963	0	3296	3899	2971	3185	3530	2776	6505	15149	40863	19610	4157	7796	2510	4365	3505	4105	3290	7014	2045	5184	6998	1782	3789	6430	3864	2851	4964	3503	4267	2621	3856	4775	4863	5436	3455	4255	2841	5305	5189	3296	5648	4927	9053	5568	3113	2566	12693	3797	7995	5331	14537	3384	3416	2353	3673	7086	5563	4525	4612	2574	3563	17291	3726	11556	8870	10495	4085	4409	11019	3510	3712	4932	10990	9034	3075	8005	4631	3628	4343	5166	6634	2059	5766	4347	5414	8636	11069	4046	3256	3236	6107	1438	Lipid	0.08695652	1.6521739	0.0
16	C16 H13 O6 N1 S1	348.05365	348.0542	0.240965	348.0537	0	2053	0	2188	1704	1665	0	0	0	3740	4515	0	2800	0	0	0	0	0	2141	2231	4162	11161	0	0	1341	3394	0	0	0	0	0	0	0	0	8285	0	0	0	1591	9226	12001	2783	0	0	0	2231	3229	0	0	0	3390	2311	2506	0	2237	0	0	0	0	1412	0	2372	2277	2495	0	3129	1724	1490	5935	4551	9368	0	0	0	0	0	0	0	0	12536	1039	2653	2014	5513	1814	0	3693	1840	2085	0	0	4151	0	15820	25571	0	2101	2943	0	2293	2289	0	0	0	0	0	1323	0	0	4329	Organosulfur	0.375	0.8125	0.0625
2	C15 H10 O4 N5 Na1	348.0703	348.07098	0.19257401	348.0704	4181	3253	3155	3373	24585	333133	0	5240	2480	0	0	593	4453	11560	1492	1897	408	5392	3393	0	0	564	303	0	1330	0	0	1355	4250	1520	7363	5805	11193	5577	1284	3499	7838	1230	0	0	0	19314	0	0	0	2931	14472	342	4041	2438	4229	3768	7564	0	567	1886	520	11161	0	0	0	0	9508	841	0	32043	3140	0	0	944	0	2652	4766	1716	0	4691	0	1675	294	0	0	0	0	0	2518	615	0	5566	5430	0	0	0	0	0	0	0	5029	3413	5582	0	417	2876	3145	0	0	2479	707	0	645	4712	Unclassified	0.26666668	0.6666667	0.33333334
4	C15 H10 O4 N5 Na1	348.0703	348.07098	0.28282925	348.07043	4605	5684	3755	4179	1519	42339	0	10188	805	0	0	930	1930	4169	0	26236	0	3448	2375	0	648	1168	462	7100	4823	0	0	5943	51143	38868	8121	11251	7057	7012	0	6725	3744	0	0	0	640	21043	0	0	0	0	0	0	27303	1594	5631	4072	1483	0	756	1538	0	14679	0	0	5933	0	1960	1376	0	2233	2869	0	0	0	0	23110	116783	7606	0	3815	0	11908	270	0	0	0	0	0	1083	407	0	8276	7384	0	0	0	847	0	0	0	4340	5759	757	1498	1403	2473	3298	0	0	4960	637	0	0	2496	Unclassified	0.26666668	0.6666667	0.33333334
18	C16 H13 O8 N1	348.07138	348.07184	0.09632305	348.07144	28460	19610	21294	23712	35248	21599	6068	5252	33052	54577	27054	8106	57202	16106	7973	11228	13263	46473	49636	20270	35087	73238	12076	14527	6125	3881	8636	11360	4777	3572	8333	5726	19568	9337	57032	5280	18134	10611	11659	26527	48435	15048	1260	427	452	13619	24679	1042	9591	5995	25285	17055	28288	759	39699	25303	15044	16224	7829	11257	16188	30343	56807	31669	12745	48323	19679	9056	11972	9809	23298	6607	4307	2718	7403	5696	557	5577	23604	58179	19554	11129	6538	14442	36579	18611	22954	20454	21709	25783	13453	21460	22239	69931	69210	907	25322	21117	18032	33750	33050	13268	6863	9747	8870	15360	23652	619	8625	62026	Phytochemical	0.5	0.8125	0.0625
14	C16 H13 O8 N1	348.07138	348.0719	0.1030914	348.07144	31850	43631	37807	37632	49852	30816	14053	11151	60972	85495	52346	15466	95685	24610	17131	26602	20182	71634	67715	43493	85578	124959	27273	23520	13251	11284	11576	25212	7983	10516	10783	9023	28501	7798	123460	9515	27707	20628	23074	56727	94265	22777	0	0	233	23832	46278	387	12508	10669	32629	31229	36242	239	69201	44786	27593	30305	15835	22863	21084	51518	99630	73092	20083	72813	31821	20045	38038	26915	46630	8421	8439	4097	13087	8361	277	16927	30951	92792	19897	28668	14174	21053	52695	20764	34462	32699	31754	53479	24958	42278	38273	123681	104394	589	52146	39305	33479	61766	61355	23272	11428	21498	15072	24558	30582	0	15134	92524	Phytochemical	0.5	0.8125	0.0625
8	C16 H13 O8 N1	348.07138	348.07196	0.11303772	348.07144	10433	7738	4883	10052	11461	6354	1730	1470	17664	12111	9274	3937	27776	2954	2934	1920	3460	14153	14730	8083	15746	19699	5875	2894	880	1519	2807	2430	1048	885	1881	2096	3898	2033	19813	840	2078	2465	3129	7211	19327	6244	0	0	0	4924	7852	0	3168	1716	6506	6639	7537	0	19016	14017	6498	1958	3005	5785	5497	7917	32271	17605	5676	17538	6083	3187	6772	5509	12867	1224	0	0	2776	2263	0	3622	7263	5743	3987	2776	965	2120	13253	4150	5876	5621	5103	9516	0	0	7765	14976	11701	0	7929	6579	8942	20324	14473	3635	2679	1939	0	3672	10860	0	2008	28387	Phytochemical	0.5	0.8125	0.0625
6	C16 H13 O8 N1	348.07138	348.07193	-0.017630199	348.07138	2122	2580	2051	2849	4462	19497	0	4687	7740	3859	2159	927	9760	1638	982	2589	0	4001	4896	0	1841	3835	1737	0	1524	0	0	4580	14918	6406	2608	1720	1613	1615	4733	1813	1045	996	936	1222	1953	3565	0	0	0	0	1625	0	5475	811	2496	2922	2729	0	5638	6605	1972	2448	0	1246	1776	1747	14159	6027	3116	7859	3388	1151	0	0	0	5559	26348	2466	0	0	0	4073	1391	0	1036	533	0	0	4101	1533	1681	2488	2524	2253	0	0	1833	2992	2744	0	4554	2763	3393	10377	5524	1290	697	0	0	2718	2973	0	0	9826	Phytochemical	0.5	0.8125	0.0625
16	C16 H13 O8 N1	348.07138	348.07187	0.12534559	348.07144	33477	30393	32339	30384	40223	22797	10630	9398	45074	73467	38305	12818	86851	22118	12611	21364	16439	64069	57380	31819	58200	77442	23477	16898	11904	7274	11075	14841	7518	4568	8710	6069	28031	8581	84555	4462	21692	12712	25779	41232	67502	18576	1883	0	525	24987	40226	1002	12356	5877	34716	31370	37478	398	51938	39251	18336	22536	14029	18338	15708	34281	93458	50732	16509	66853	26962	15941	16862	20701	29563	10277	6966	3474	9980	7137	303	9359	33440	83550	21485	20822	10482	20019	52341	21298	33413	30402	20221	41965	21393	27418	0	100349	100219	556	42382	33591	27203	49608	47547	17428	11140	12867	14421	21895	26970	602	13647	83244	Phytochemical	0.5	0.8125	0.0625
22	C16 H13 O8 N1	348.07138	348.0718	0.091453806	348.0714	3542	6894	7299	4044	8973	4256	1834	3202	11405	12101	1895	2180	13669	5064	3923	5268	3210	20640	9844	2010	6343	20071	4391	5304	2366	0	3123	2015	0	0	1156	0	5941	1331	17730	0	2482	5039	4281	6957	9893	4433	0	0	990	4160	10198	0	1366	2063	5130	4531	9249	797	16794	9645	4901	5896	3070	3641	4742	9143	18341	11371	5396	11025	5369	3233	2574	2378	2726	1531	0	0	1364	0	588	1951	9852	23778	5495	4784	1798	1971	10979	6354	6719	6437	7877	5805	1882	6507	8915	25443	27238	0	6462	6030	5039	14733	6104	4520	1362	3370	4474	5258	6832	0	3475	18750	Phytochemical	0.5	0.8125	0.0625
12	C16 H13 O8 N1	348.07138	348.07193	0.09780942	348.07144	30166	30921	34361	35398	39192	19321	10757	11290	47530	63920	48511	13506	72857	19643	12764	21238	21925	52835	68153	30125	67677	91573	25512	24353	9367	8860	6417	24832	9116	7083	8195	6580	27108	8658	89499	7440	21136	13053	19591	45160	85910	22639	624	0	0	26046	45215	407	14222	9102	29720	37003	33405	263	61668	41074	20588	21924	15914	15994	0	31179	102604	57161	16933	62311	24300	18662	34370	23907	52930	9502	8463	4959	12913	8683	0	11167	30800	45893	20438	20745	7199	15177	47503	18248	30836	26572	28528	41084	16798	24899	32899	92320	69441	0	33725	38769	36217	48180	41016	18237	9991	14206	20570	24301	32838	0	11936	89831	Phytochemical	0.5	0.8125	0.0625
28	C16 H13 O8 N1	348.07138	348.0718	0.08279592	348.0714	3710	5960	6052	4937	8586	3861	2255	2082	7699	12233	4105	2437	8082	1940	2617	3950	2792	12408	9562	2886	4754	13016	4496	4328	2917	0	2495	1221	2030	0	2325	1331	4647	1009	7593	0	3668	2140	1633	4357	8676	3437	0	0	0	2250	4288	0	1822	0	4574	4713	5323	0	7202	2709	3150	3078	2884	3367	3405	4732	20726	6589	2614	6490	4691	4762	0	1728	2060	2070	1015	0	0	2149	0	1585	5031	10248	5097	2853	2280	0	4466	3941	6208	4038	4480	4064	2872	6019	4475	10746	11006	0	5106	4574	3959	3879	4003	3436	2231	2941	2473	3920	2927	0	3574	18931	Phytochemical	0.5	0.8125	0.0625
20	C16 H13 O8 N1	348.07138	348.0718	0.079071574	348.0714	13335	14687	15343	14308	22743	14182	5340	4126	20505	30554	11525	8882	37581	7881	7247	11123	7177	37024	24527	6276	14285	44970	11704	12613	5205	1984	3979	3367	3618	3331	3434	6989	10398	4611	29297	4557	11064	6101	8138	17467	22905	6943	1725	647	522	9537	18461	1088	4025	3191	13316	13243	14792	1101	19855	16229	9017	7663	6292	5207	6124	13929	33645	24594	7203	28869	12153	5000	7430	1603	10105	4136	4754	1572	4328	5566	745	3486	15336	37990	9979	9309	2515	0	23673	13828	20596	13275	13024	14131	6586	11979	24951	52190	43641	1090	16209	15120	12332	20519	19169	10985	3776	5712	10063	13198	14560	664	8880	42444	Phytochemical	0.5	0.8125	0.0625
8	C13 H17 O10 N1	348.09253	348.0931	0.1580012	348.0926	8273	4785	7015	6966	25845	10489	1599	1903	30920	0	9032	5394	76538	7757	2963	3750	5756	36548	34019	5791	11424	6321	7394	0	754	0	1866	0	2630	2182	2017	1480	4053	2050	5065	3104	4973	2223	3855	2182	3113	16722	455	0	0	0	2204	0	1726	2161	7311	6584	15338	0	51091	56298	13684	2780	1784	3217	0	2148	62569	46026	12347	30130	12908	4127	0	0	0	3537	2582	1373	4645	1865	0	2525	2533	3191	2332	0	0	0	41155	8868	4048	15599	13659	2701	0	0	6567	7972	5016	0	8182	10785	25922	42632	63017	6816	4905	0	0	4076	32977	0	0	53663	Phytochemical	0.7692308	1.3076923	0.07692308
12	C13 H17 O10 N1	348.09253	348.09308	0.16319722	348.0926	0	5723	7598	5689	30011	14639	0	1889	41003	0	0	4522	62314	9523	4475	2519	6338	41061	37637	3739	7648	0	9710	0	0	0	0	0	2139	1794	1881	2513	4992	1957	2948	1427	3974	2932	3282	0	0	17397	681	0	0	1800	0	0	0	2076	4628	4014	19762	0	55580	50291	11980	0	0	0	0	5287	64429	48219	9987	31849	11495	0	0	0	0	1184	0	1351	3065	977	0	3231	2547	0	0	1254	0	0	30411	10362	1797	10612	16203	0	0	0	4608	0	1696	0	5148	8092	25588	29243	33065	5002	3906	0	0	4705	30431	0	0	66347	Phytochemical	0.7692308	1.3076923	0.07692308
10	C13 H17 O10 N1	348.09253	348.09308	0.20359704	348.0926	10248	9577	9925	10641	32811	15907	1262	2667	38525	3182	8060	7687	94836	13507	2143	2351	8467	53656	46011	4653	14438	8747	8511	2117	0	0	1822	0	2691	2021	1950	2247	6352	0	3447	1811	4807	3294	3089	0	5459	19812	816	0	0	0	3700	0	1793	2026	8242	9414	24052	0	60991	62943	13030	1962	2988	4393	0	3591	66519	59941	15191	38781	12613	3531	0	0	0	2523	0	1293	5435	2836	0	3515	5047	0	3019	2064	0	0	48633	10762	2099	17928	17184	2963	0	2398	4406	10768	6184	0	7168	16514	30651	43903	57048	10908	6175	0	0	4359	40159	0	1293	77996	Phytochemical	0.7692308	1.3076923	0.07692308
6	C13 H17 O10 N1	348.09253	348.0932	0.2797895	348.09262	2011	3726	3574	2312	11334	3521	1039	1120	11975	2105	1976	1424	30940	3672	1023	2445	1874	16542	16243	2376	3089	3486	4274	1858	930	0	626	0	2406	1553	1680	1496	2647	1221	1735	1583	3206	1094	0	0	0	7763	0	0	0	0	0	0	1966	1293	3428	3656	7218	0	17080	24174	5613	846	1215	1297	2723	0	25595	18748	5009	17210	4798	0	0	0	0	1052	1612	1255	1723	1120	0	1588	0	0	1438	0	411	0	20602	4525	1899	6991	6111	0	0	0	1640	1484	2658	0	3861	6146	9272	22384	30305	3781	1334	0	0	2404	11747	0	0	30101	Phytochemical	0.7692308	1.3076923	0.07692308
14	C13 H17 O10 N1	348.09253	348.0931	0.14035775	348.09256	3773	3356	3626	5834	14753	10722	0	0	20272	0	4007	1852	38331	4556	3845	0	5553	22041	19385	0	3840	0	3859	0	0	0	1054	0	1334	0	1054	0	2868	0	0	0	0	1705	0	0	0	11945	0	0	0	0	0	405	0	1323	0	0	8475	0	34918	25726	5274	0	0	0	0	0	31271	31940	5501	16242	7423	2554	0	0	2408	0	0	1190	2270	0	0	1898	2042	0	2808	1442	0	0	23738	6106	1865	7098	8317	0	0	0	0	0	0	0	0	5957	14297	18745	15176	4864	2761	0	0	0	11017	0	0	30570	Phytochemical	0.7692308	1.3076923	0.07692308
14	C17 H17 O7 N1	348.1078	348.1083	0.1321282	348.10782	199170	198250	193249	202638	141609	112186	92778	109446	160864	526544	303638	85007	249582	95740	91685	140667	107108	224272	218293	369841	449317	412985	111092	136237	99720	267519	72401	237332	106335	89637	92184	113731	173538	95162	683299	91463	155816	82793	115108	422046	412346	103625	3774	897	603	203491	280229	1016	107994	95785	185898	166587	127354	1121	200777	156180	91846	142487	149274	114052	155685	293387	251438	186636	64522	193192	112588	105282	332511	442521	509708	92838	85665	64269	90194	88229	810	79192	138429	283483	102484	160560	96466	227429	146301	94959	140432	118256	122699	205148	189322	230055	221961	369168	459566	1931	196233	194299	114146	157297	147759	129073	78455	169792	160795	135303	112523	971	96400	237745	Phytochemical	0.4117647	1.0	0.05882353
4	C17 H17 O7 N1	348.1078	348.10843	0.08317363	348.10782	10392	10335	10194	11791	11954	6765	2957	6057	18848	19170	19739	6195	24036	7956	5310	9019	8407	13644	14051	16286	26036	21060	8420	8381	3023	11799	3075	6522	3624	3775	4955	4477	7563	4623	28713	4791	8112	5044	11231	13428	27331	7053	0	0	377	9969	21957	461	5581	6654	8698	10107	8759	419	20334	17724	6967	8116	4615	9456	8350	12950	23772	17869	7828	16471	6835	10578	26321	16263	33222	5230	4684	3122	2416	4892	229	3746	7796	7318	7127	9694	5018	5711	19534	5520	7749	8233	7272	12245	6692	7983	12806	19223	14989	948	8723	11602	16507	24063	19730	7995	6117	11157	10735	6223	13443	419	3874	23184	Phytochemical	0.4117647	1.0	0.05882353
8	C17 H17 O7 N1	348.1078	348.10837	0.11074415	348.10782	84972	91507	70679	98018	70063	44187	31667	51596	86002	203158	128925	40999	120144	33586	37525	62608	54718	73414	99318	144428	212468	152585	52192	73938	25579	90096	34040	70292	44213	41989	41969	48749	66233	41902	243424	39534	63364	40301	69066	161793	232586	40254	1307	0	324	85827	142196	0	57674	52934	86224	89868	52788	494	102670	63974	40372	54111	51481	66851	66293	110865	134492	102702	28508	92543	47367	62881	186266	175076	316473	44523	41889	34132	36230	47491	390	33128	63001	78344	46715	64052	38821	71087	71260	35556	56101	48295	49666	86307	46752	90640	91240	130401	146056	611	94098	81516	63843	77934	72741	61828	35501	79431	50777	53142	58785	0	33435	126720	Phytochemical	0.4117647	1.0	0.05882353
18	C17 H17 O7 N1	348.1078	348.10825	0.09394597	348.10782	101631	104053	88944	86445	95987	71570	58720	54165	81080	237312	132215	33723	122430	57229	53895	66729	45984	149022	122229	160420	179381	194743	65233	78852	55859	100988	57087	95835	45192	40186	52151	53871	97001	44325	242652	40474	97911	41834	49895	195191	181731	57068	5904	1016	1505	110030	109747	1282	56361	35442	95979	92545	85338	1436	114291	69178	45331	72673	46392	44792	72785	129401	121510	86496	37366	116885	67732	51318	118244	172948	191203	45362	37211	24937	35864	45825	969	32542	75887	129322	54386	82227	39251	105873	89372	71582	79852	70250	68466	72582	93304	121749	100220	167969	234285	1614	95706	88696	64484	72342	67061	69877	36315	60151	54286	68632	53950	1109	51488	134696	Phytochemical	0.4117647	1.0	0.05882353
22	C17 H17 O7 N1	348.1078	348.10822	0.05791547	348.1078	12948	12957	12028	13711	17147	8898	4255	8581	14135	46043	17353	4091	14846	5790	8886	4517	6435	13475	16647	17054	21345	36413	8417	11738	9073	10062	4483	11853	7997	5565	4668	4873	9390	7580	33404	6830	10318	6496	7915	22357	27732	9097	0	0	1296	14252	20369	0	7795	5133	16578	13639	8724	1560	15601	10165	6955	6837	5178	8808	9403	22652	22885	15063	3567	16916	9214	7542	15129	24341	24127	5909	6185	4414	3496	5716	1365	6917	13224	26002	10738	14062	5565	11923	13984	9231	8519	10453	11357	8247	11975	17215	13561	37303	42026	0	17355	8459	9549	9338	15707	9783	4740	9053	9862	8716	11601	0	7584	24938	Phytochemical	0.4117647	1.0	0.05882353
24	C17 H17 O7 N1	348.1078	348.10815	-0.016107757	348.10776	5166	7094	5958	5879	8718	6578	1563	3038	6188	14051	6126	3128	8391	0	3396	4298	4430	7242	5659	4952	11750	13341	6018	4929	2360	2103	1811	5533	2210	3592	2835	3157	4434	2105	14773	1955	4082	2196	1935	12096	13299	2358	0	0	0	6933	7703	0	3300	1411	5640	4334	4121	0	10704	5094	2928	4063	4062	2921	4330	8269	8114	6897	2115	6341	3381	2110	6556	4663	7259	3573	1555	1269	2059	3292	0	3540	8233	15128	3367	2419	0	3679	7296	0	3329	4462	3826	4904	2928	5492	5786	19051	25361	0	5677	4553	4761	3509	4353	4874	3482	2828	4275	4790	4454	0	2565	11362	Phytochemical	0.4117647	1.0	0.05882353
20	C17 H17 O7 N1	348.1078	348.1082	0.06846754	348.1078	39687	44227	39705	33551	39218	28257	17722	12974	36282	98344	55250	15946	55158	21528	18389	23867	14573	50229	55883	50003	83303	90486	22483	28483	18315	41244	14736	36291	14959	14546	15001	16447	31715	19991	108117	16996	36466	16467	15639	78865	78518	23423	3738	1517	1216	39257	54645	1561	19802	12775	37040	37153	32653	1527	34572	30211	20631	23994	17640	15174	23618	55616	52652	41151	14909	48784	25771	16207	53614	63402	60361	14421	12349	8747	10765	15071	1403	12718	30363	71200	20574	33287	19693	39347	32647	26153	30513	27929	26840	30332	35961	46680	40541	80204	99130	1964	34986	35665	23157	33759	37574	31237	12986	27333	41103	23176	23487	1335	20308	61081	Phytochemical	0.4117647	1.0	0.05882353
14	C14 H21 O7 N1 S1	348.11115	348.11163	0.026012907	348.11115	6086	6767	9727	7160	5461	6751	2847	4319	6000	8035	5347	3544	11748	3850	3278	9012	2677	10835	12306	9018	9687	10877	2643	6615	3799	5831	3350	0	5351	0	3098	0	6726	5681	10080	4417	5383	2835	4624	11310	10217	4672	0	0	0	7603	7678	0	8094	2444	7645	5593	7376	0	5224	5702	3400	3929	5632	0	0	7621	2413	2914	2851	7737	7300	3300	0	3825	6246	4201	2858	3474	3325	5511	0	3783	2725	0	0	4743	5063	6975	4299	4396	4998	4152	4854	4411	10965	24184	3358	5809	14742	0	5499	5024	4427	5476	5916	6769	1814	8604	0	7144	5818	0	3949	9327	Organosulfur	0.5	1.5	0.071428575
16	C14 H21 O7 N1 S1	348.11115	348.11157	-0.031155623	348.11115	5069	4441	9561	6143	4110	8034	3414	4077	7956	5939	4892	3843	11906	2361	4853	7513	5991	10052	12748	13020	5928	13136	1534	5062	3633	4343	4063	5343	5681	4025	4041	5369	3979	5401	6800	5322	4534	4125	4495	8106	5992	6471	308	0	0	6252	3281	0	3438	4372	7267	7082	6799	0	6245	5640	2450	8294	7652	4085	0	9957	3242	2765	2733	5728	4114	6502	7000	3147	5004	3129	4321	0	5143	4050	0	0	2115	10026	1687	4622	4444	4468	5981	4094	8786	6268	4495	0	13861	22471	0	7965	15516	0	5515	7280	5268	3046	4177	8344	2575	10167	0	0	5557	0	3220	8070	Organosulfur	0.5	1.5	0.071428575
8	C16 H17 O6 N3	348.11902	348.11963	0.083486035	348.11905	123770	0	0	0	54056	44060	0	109628	66696	126600	73342	90124	90058	29380	80554	2552	153574	80316	112180	101968	140460	180064	98292	0	64284	35430	62388	68250	83248	0	83990	0	111978	81930	155296	79490	122388	0	2298	138484	208962	62206	0	0	0	114378	169946	0	0	111160	105684	115298	61720	0	82996	48838	0	111408	89846	115836	123946	107862	93460	69174	62352	0	62722	165872	64984	83510	118302	95922	84898	66198	82657	6196	0	0	108588	78388	87020	60212	75018	68094	54328	42470	0	81690	67502	1280	97050	161410	213734	129442	116502	0	0	105028	62068	62462	56798	109024	65926	132506	70154	0	47098	0	1768	103740	Peptide	0.375	1.0625	0.1875
4	C16 H17 O6 N3	348.11902	348.11966	0.07534108	348.11905	16528	17711	14596	15287	10852	10180	6350	15380	14932	15802	12617	11221	0	8479	11476	17440	24113	17012	17293	16719	22145	27281	16468	21516	7400	5597	6956	7995	10770	10919	12799	13017	19831	10275	23824	11723	18029	12311	28347	17129	29529	11841	0	0	0	15193	24140	0	15219	14440	14154	14637	12050	0	18543	13312	7622	15588	11325	15751	18649	13637	21017	13844	11958	14313	10659	25546	11060	9515	15435	11618	9152	8933	6578	9035	0	8736	15469	11662	11431	9669	8576	7212	0	9442	15451	13376	12416	33418	12954	19851	34627	13695	15904	0	14712	17781	12223	17477	14089	19716	10575	17719	12456	17888	10758	0	8701	0	Peptide	0.375	1.0625	0.1875
2	C16 H17 O6 N3	348.11902	348.1197	0.085524514	348.11905	8085	8802	7428	9497	11373	0	7114	9714	12219	6617	9104	9385	15117	4291	6475	1948	12416	13157	12432	4247	14200	12413	10250	9774	3521	2416	0	4117	8069	3301	8330	6039	15352	8516	12923	7251	11079	7206	14890	7908	15589	8225	0	0	0	5933	7389	0	8779	4184	6617	8692	9870	0	13285	7364	5622	12766	4814	9110	2833	4970	19797	13434	6064	15978	8965	16587	4682	6477	8498	6096	6403	4234	1016	4887	0	5651	10117	6074	8507	4278	4506	2937	10448	6851	10358	11931	8742	26089	5543	14287	23300	9687	1183	0	9524	8851	7710	10453	10640	6187	7143	4396	4677	13680	6589	0	6593	18711	Peptide	0.375	1.0625	0.1875
12	C16 H17 O6 N3	348.11902	348.11963	0.10941126	348.11905	0	28426	28436	30714	19497	19276	29176	0	24555	0	17377	0	21802	11697	26093	32037	0	27507	41507	30098	41006	57922	31046	35455	31330	17870	18200	16885	27720	18544	29765	0	37648	21534	41038	19347	0	29942	46839	44725	53979	17991	0	0	0	31571	42525	0	29132	0	32873	31854	22951	0	33085	15239	17300	43244	30640	33700	29164	37694	31946	24246	12930	26091	20987	50278	27104	33405	33577	22625	20154	12836	22277	0	0	0	40474	32113	29699	0	27782	22107	15864	17299	48353	27325	20993	106040	30422	49354	78360	38005	0	0	29754	35670	15452	11371	14197	0	0	25324	0	41800	17741	0	33949	31531	Peptide	0.375	1.0625	0.1875
6	C16 H17 O6 N3	348.11902	348.11963	0.089533545	348.11905	56883	58152	43593	51837	0	20020	34599	51227	32948	52913	39344	38051	38114	12153	38511	72109	50882	38403	53189	52520	67697	74924	0	60640	23315	12605	32062	25381	43357	41050	49416	51983	61929	50706	72276	44346	55856	37906	89105	54126	101805	27627	0	0	0	54934	65596	0	64051	42623	53447	55449	0	0	39122	22184	0	61175	29875	69038	56427	41241	41564	30857	19269	39437	36051	0	26328	35943	51978	46970	45518	34730	35529	45640	0	31119	0	36835	42256	39965	31737	31326	30033	29604	47128	44856	37531	103523	39451	52835	76952	43661	57709	0	55514	44608	0	22753	24639	57088	38055	61389	28334	56231	21927	0	43295	50802	Peptide	0.375	1.0625	0.1875
10	C16 H17 O6 N3	348.11902	348.11966	0.10631289	348.11905	51634	0	47306	0	29457	21774	0	0	32835	57825	33983	32308	39107	17508	33120	55883	41581	39150	48339	45394	57472	87768	37103	57705	29193	20875	0	31060	24886	0	0	0	0	32758	61111	25073	54417	0	0	61033	72205	25860	0	0	0	41841	43150	0	42204	0	52180	0	26735	0	38640	21266	18212	55877	34039	43734	50005	41067	38193	32071	17952	31557	24574	0	36358	45216	52467	36691	24834	0	33331	0	0	29542	0	26588	37909	35014	35262	30434	31847	0	47420	36023	28249	90194	51938	59233	0	49791	54753	0	0	42880	21603	22320	20393	44508	0	49368	18828	54591	22435	0	0	43098	Peptide	0.375	1.0625	0.1875
14	C16 H17 O6 N3	348.11902	348.11954	0.029620646	348.11902	23503	20343	21335	0	15181	15257	18003	0	14585	19594	12826	15035	18432	8365	21155	23182	26538	19627	22256	10824	23660	29954	21209	31565	27090	8008	17396	11160	21174	16971	17346	20573	29335	18200	29142	16622	0	20055	0	0	23318	17170	0	0	0	21570	16790	0	24545	17093	21290	0	16519	0	16458	11680	10823	26655	17043	23348	21598	16933	15268	14229	10970	20299	19986	27664	0	21048	19927	14788	13181	10978	0	14621	0	17884	26493	0	19195	13571	16223	13223	8327	9396	34115	21537	18039	48548	29302	30118	67980	23110	20655	0	21074	20325	9191	9868	10723	0	15046	20287	0	27884	8252	0	25560	18959	Peptide	0.375	1.0625	0.1875
6	C13 H21 O6 N3 S1	348.12238	348.12283	-0.0817251	348.12234	3773	5499	4109	4850	841	891	4717	2373	11374	0	0	4751	5295	2506	1512	3115	2154	2211	2969	0	0	4237	1555	1336	2965	0	3840	0	2543	4518	2989	4164	2763	3364	0	3153	3761	3284	3406	0	0	969	0	0	0	0	0	0	3696	3200	3221	3426	1850	0	1382	823	1442	2404	0	0	1679	0	0	1037	1730	1707	774	3559	0	0	0	2583	2734	3568	3346	3984	0	2492	3665	0	1616	0	549	0	1066	2125	7458	1055	0	179922	0	3743	18427	717	0	0	4780	4811	1861	0	0	3740	3364	0	0	18099	2032	0	6571	3551	Peptide	0.46153846	1.6153846	0.23076923
16	C14 H21 O9 N1	348.1289	348.1294	0.08157582	348.12894	41168	32866	39789	43269	56220	46909	16965	34148	80411	33719	33017	32480	123536	24116	38524	32694	49058	114526	98245	31965	59723	28650	49450	33796	9089	6615	19573	9964	34877	34457	25652	24823	36452	26046	36031	39705	46720	25408	35874	32117	47555	49166	2426	947	1680	20551	45080	1503	23303	31570	35208	35679	49160	835	136209	72100	36629	23655	25956	34471	37598	45234	93647	106271	25993	62433	42638	26807	41210	18226	39786	27913	29999	28558	38340	21303	674	29739	31342	29027	24968	15406	11241	10682	76232	37057	29611	38393	34356	0	9400	22524	0	41062	36657	823	35905	50104	43483	50975	64120	51133	23709	27004	23728	24091	65260	1201	13542	102775	A-Sugar	0.64285713	1.5	0.071428575
12	C14 H21 O9 N1	348.1289	348.12943	0.04546261	348.12894	80178	74345	79671	72512	184062	140282	48190	104765	307723	86387	95860	63355	375280	77472	88576	59263	104021	365426	334417	127297	224595	87520	124440	47813	34409	24096	23386	44920	101139	59166	65256	53224	123268	62073	185602	76784	89589	74850	75581	81513	110605	138387	4333	701	961	66042	81392	877	50494	63019	65780	65948	168269	723	587532	255143	101905	54840	91981	92758	54212	125485	346638	355105	82222	229867	130664	66436	118924	51921	100355	52731	67691	75867	58997	51003	361	79662	69731	76425	64565	51281	36032	27502	217388	115787	71014	83355	118568	54155	29635	84580	73113	116914	51511	1454	86701	123570	190150	161239	184201	110392	62160	60499	45235	66469	239297	808	35032	400796	A-Sugar	0.64285713	1.5	0.071428575
10	C14 H21 O9 N1	348.1289	348.1294	0.014247722	348.1289	105783	95309	98497	91399	159709	110454	42706	75242	256151	98583	92936	66497	396604	63044	85160	86210	101027	339636	305631	127591	167757	94546	105148	77092	28682	19250	43873	44950	98086	76569	52363	76158	113946	67586	126291	90565	109949	62752	74698	66604	98771	139239	5354	1035	743	59717	81540	720	65030	72801	106948	97448	143771	1001	498804	256758	87674	74098	75801	69147	94908	77730	268012	292483	77844	194689	105569	71520	88284	34137	61157	68583	65846	84206	84638	62343	0	62022	66619	64460	52198	36378	27265	22557	241387	114060	60783	99327	115221	47918	30696	67070	74581	84953	85939	1119	97773	145148	158840	172276	208209	159251	60794	95462	46863	60989	216047	0	25586	342380	A-Sugar	0.64285713	1.5	0.071428575
14	C14 H21 O9 N1	348.1289	348.1294	0.06021357	348.12894	57628	59438	64757	61040	114035	107384	29001	64132	206445	61968	60484	54307	280344	75041	76128	56461	104238	258972	205002	129146	215348	75080	78216	47122	44534	70727	38749	40785	63929	58689	39246	42339	80904	51310	101540	65096	89696	59839	63859	55430	117477	108521	4326	1053	936	63131	70397	779	47777	47404	59753	56393	106941	752	409409	179824	60163	60796	64472	74428	59565	115619	227538	242425	61294	130459	89519	47076	91851	114330	92910	34774	39566	58318	83726	59760	541	48748	71636	72426	61416	48460	29465	51838	169907	89445	46395	63783	74750	41804	36435	69763	58119	85756	82039	1215	57375	114705	117251	129782	143191	97310	46159	70540	43169	39595	150481	859	17632	222089	A-Sugar	0.64285713	1.5	0.071428575
18	C14 H21 O9 N1	348.1289	348.12936	0.14297612	348.12897	14435	13642	11401	12236	16122	14378	5244	13424	23082	11360	13229	13143	28122	6486	14354	11439	17186	29117	28659	10771	18223	6502	15017	10232	3488	3854	5973	3799	14824	13351	10817	9450	12745	10156	3644	13036	12858	9001	13326	9169	18899	16358	1493	970	1391	8083	11483	998	10856	13824	12908	13717	18972	933	42094	29831	11579	8627	6918	9932	12057	16715	27740	35244	11237	17594	13109	14912	14425	4644	11886	6990	7580	12003	8895	8180	757	8871	10525	9594	10037	5697	3482	3481	35185	17687	9953	14373	14715	8045	3508	4551	11633	8016	7080	501	16763	14487	15612	15547	24899	14338	10719	9516	5139	10054	16854	1134	3880	19907	A-Sugar	0.64285713	1.5	0.071428575
8	C14 H21 O9 N1	348.1289	348.12943	-0.027640289	348.1289	57586	59204	47130	54095	77199	58958	26267	56791	120634	49889	54642	44284	211285	36355	53696	61737	63221	162567	159533	60414	70012	46072	67829	53411	18459	5814	28145	15452	49560	46085	35796	43583	58266	41672	53765	47911	65046	37334	56011	33804	48685	79831	1944	0	0	38493	49581	0	44011	51694	54482	58970	68639	479	236878	150090	56207	38709	42698	45645	70830	32862	161424	154699	47335	113606	62599	52287	33388	11498	25664	37455	44863	44324	47579	40409	0	33744	41132	22222	33978	16921	16484	10807	124229	64753	38580	62686	68722	32697	20379	45857	57997	37437	37679	509	57946	78005	87817	122932	144534	91778	37602	62382	23051	39281	127586	0	17012	184361	A-Sugar	0.64285713	1.5	0.071428575
6	C14 H21 O9 N1	348.1289	348.1295	0.012984622	348.1289	24652	23107	24071	23719	33083	24887	13750	28767	48294	14346	17269	21217	88933	16405	26776	28084	26970	72946	67137	22843	24636	18702	32561	27292	9693	3016	12019	5350	22883	25800	21074	21670	30473	22076	19116	23899	26946	17751	27194	9989	10598	31596	1031	0	0	14167	18320	0	19911	23544	26568	24533	32671	0	90058	66847	21753	24476	21616	17723	33052	9902	67408	52912	22034	45043	33262	27686	7939	6467	0	18044	21863	23572	16642	18223	0	16551	15955	9826	17430	8144	9686	3558	63881	39207	20691	27551	29288	14827	10946	23363	29684	11565	14988	0	24863	34231	30054	47473	72224	36240	19321	22264	8511	20443	53970	0	8796	74963	A-Sugar	0.64285713	1.5	0.071428575
2	C13 H21 O8 N3	348.14014	348.14084	0.15771931	348.1402	3216	4808	4286	3746	2358	0	0	2415	1884	749	4564	1868	4185	3482	1044	445	1757	3870	4606	0	723	3824	2029	3326	1099	0	0	9028	4478	1608	3397	3453	4598	3364	1178	2752	3386	1247	2115	0	0	0	0	0	0	0	0	0	3405	1556	2154	2566	2713	0	1485	1288	1197	4449	270	0	1040	0	4129	2612	0	5811	3564	2362	0	0	0	4113	3887	3304	0	1749	0	1240	946	9202	1201	0	0	0	1810	1016	2251	2980	4660	1871	40748	13334	4660	6480	0	0	2427	3891	816	1374	1752	2688	1659	0	0	4683	1090	0	704	6529	Peptide	0.61538464	1.6153846	0.23076923
0	C13 H21 O8 N3	348.14014	348.14075	-0.05114842	348.14014	3153	2321	2575	2409	4408	0	0	4255	1605	0	0	0	4884	0	0	0	0	4542	2997	0	0	3231	1601	4680	0	0	0	995	7932	0	3331	4817	9338	4599	0	0	6353	0	0	0	0	5648	0	0	0	0	0	0	4492	0	2455	3355	3171	0	1682	861	0	5381	0	0	2089	0	4419	2257	0	5490	5685	1553	0	0	0	3596	6576	0	0	3404	0	0	0	1181	0	0	0	0	675	0	0	3272	4842	0	27881	5621	4052	0	0	0	0	2640	662	1163	0	3678	0	0	0	4939	825	0	0	11318	Peptide	0.61538464	1.6153846	0.23076923
8	C18 H21 O6 N1	348.14417	348.1447	0.051937636	348.1442	206222	207910	168017	200688	106561	104895	79957	145305	129906	571315	261985	89411	168356	65034	94688	159445	117227	146263	201027	548769	1264506	350851	103997	166107	77210	405577	87766	221000	116776	107342	115836	133871	161255	110518	719473	107360	168800	91260	135177	433782	454195	89277	2459	764	833	250324	274544	763	150116	122139	181657	214587	93625	1127	175213	86334	65051	142576	82950	128851	153847	250601	167517	141650	51736	134734	96066	134741	450766	661769	741747	120329	108862	111553	92882	120781	792	81906	122172	162828	101308	143200	99652	230334	99229	61716	110354	88123	96492	171661	150379	220148	223751	241437	374053	1196	200122	181984	90559	88499	77469	147098	79734	198338	94649	141947	82584	618	86545	177710	Phytochemical	0.33333334	1.1666666	0.055555556
6	C18 H21 O6 N1	348.14417	348.14478	0.0819512	348.1442	156318	158426	138276	146125	92670	443329	60308	108204	110258	468180	210009	62820	145117	53562	74973	126423	84217	129172	161453	407818	1023514	258549	79221	239184	56936	283506	55037	157944	97320	81940	85203	106151	134561	92455	1083944	93190	125701	67433	110048	254917	694352	121580	1408	588	768	185103	246182	820	123109	88041	312680	149620	79598	727	140610	78639	47447	114191	61496	209822	109177	185317	128633	110678	38495	114801	89055	113573	328041	487525	585100	94799	81518	82425	56365	79234	496	61268	170120	102332	67821	212956	131160	143226	81806	62045	91385	70654	72492	272076	108276	133108	164688	181478	288986	1030	148287	137772	62428	76340	84699	122341	63378	140569	105440	97233	74674	379	65571	145068	Phytochemical	0.33333334	1.1666666	0.055555556
4	C18 H21 O6 N1	348.14417	348.14484	0.099161245	348.1442	64301	75495	65510	67632	53021	41780	24732	52117	61417	185147	88093	34417	86246	34266	37723	48855	52824	66368	77911	176974	214575	131680	47235	104770	26722	135798	29526	58629	39893	35122	42443	42282	57893	34649	242072	47470	53787	35271	61917	134762	159818	36670	1658	655	924	95744	144669	819	51372	49209	64496	56660	42586	597	84394	47407	25297	47726	31990	54450	50787	87951	69942	65311	21220	61511	36815	55823	163278	181917	236624	38747	35194	39982	31801	37648	547	32897	47493	62337	40186	65191	37461	69329	56129	33845	43056	31791	37062	112246	65427	69965	148816	93861	143249	1913	65296	73134	49637	52600	52194	49647	31854	80464	65204	42173	46538	1075	28948	77916	Phytochemical	0.33333334	1.1666666	0.055555556
2	C18 H21 O6 N1	348.14417	348.14484	0.058078974	348.1442	28546	29725	23925	25540	20736	24721	17925	29221	25232	43458	36100	22623	30175	15577	23329	16829	32433	29936	29802	42396	77428	38644	24062	24693	11342	34789	9895	26375	32658	19675	23690	21523	34717	22906	60943	21299	29695	20664	32780	35719	56979	22949	1124	620	798	24511	90614	764	25777	22592	24316	27668	20326	568	33955	18798	12949	27716	12560	49166	18194	25276	28263	29140	11671	28717	22017	37566	49174	51531	78894	23279	24146	20930	14859	23103	600	19036	26238	29798	24929	23864	15665	19295	18796	13423	25062	20643	22226	39706	20369	27640	36105	33054	29436	929	29958	32488	25027	18757	20047	24555	18939	27448	23615	24957	19442	656	17635	29348	Phytochemical	0.33333334	1.1666666	0.055555556
16	C15 H25 O6 N1 S1	348.14752	348.14798	0.030447677	348.14755	3280	4410	3318	0	4674	4143	3522	3159	4745	2120	0	2614	7071	1528	3611	9970	9320	8434	6764	3166	2178	6082	2992	6772	4349	1432	1873	0	3110	3283	0	0	4545	3367	3211	0	4563	1913	7020	0	0	6825	284	0	0	3045	2099	0	3491	2167	7352	0	5820	0	0	2482	3857	5339	3261	3663	0	0	2060	1972	2563	9728	7809	13461	0	2694	2617	3251	4682	1893	6483	1583	0	3160	5773	4080	2493	2503	2911	0	3249	4223	2982	5048	3577	27914	8496	7958	0	2161	2932	0	3584	6501	4778	3123	5501	3930	2073	15192	0	0	2357	0	3392	0	Organosulfur	0.4	1.6666666	0.06666667
22	C15 H25 O6 N1 S1	348.14752	348.14795	0.08106289	348.14755	18935	14055	14540	13374	3252	3457	14466	30787	0	4434	2206	19146	3829	0	15695	32771	22762	4015	4577	1756	2433	7190	19743	33165	15300	0	8933	3848	22334	16787	20743	22983	18872	21584	1754	18343	18014	15637	24836	6383	6015	5514	0	0	0	8304	2125	0	44790	15971	17615	13525	5683	0	0	0	4138	37146	14864	17818	29848	3665	0	0	4835	4320	4665	32644	0	0	0	28716	18361	11103	23174	18470	0	18224	14644	3978	16016	4273	19809	0	2260	5156	10265	10503	12479	13885	11147	12478	16385	2027	4157	0	11246	16143	1953	1662	0	15130	14796	27874	4939	52866	0	0	18687	0	Organosulfur	0.4	1.6666666	0.06666667
12	C17 H21 O5 N3	348.1554	348.15588	0.007936496	348.1554	43190	49065	46102	48529	22498	23978	48374	63709	20389	33998	30270	0	12169	12022	43537	49056	66334	23066	32631	46457	48817	82405	43083	61692	55257	24612	39289	518561	58594	45298	52507	56813	71931	45197	46158	52512	0	40028	0	64796	69207	25881	431	0	0	56981	51553	0	55052	52741	48786	40194	27239	0	23365	8773	18582	0	54104	61391	61151	36659	12173	16615	15586	24776	27010	0	16049	38653	36905	60675	48237	47687	44730	42985	0	42767	53597	87755	42303	34438	44432	36759	14558	17993	0	32677	31827	103307	69465	67665	0	50927	38636	0	53365	51300	15156	10044	10817	53468	38452	53861	25374	63150	16073	0	58274	20118	Peptide	0.29411766	1.2352941	0.1764706
14	C17 H21 O5 N3	348.1554	348.15585	-0.07966622	348.15536	25224	27983	25297	25830	15982	14448	26669	33922	8659	17926	10966	17720	11116	7361	29856	42341	40533	16926	20103	18076	24636	42127	29348	44730	33674	11175	0	17432	29982	27223	27098	32416	41982	29223	24952	32888	35920	24369	0	27677	35477	19179	0	0	0	28377	21479	0	35320	26751	27593	16847	18499	0	15320	4414	11325	41878	18589	25439	43857	19538	11328	11907	11176	17927	19649	45898	0	16976	20965	28039	22922	25502	0	28841	0	0	30195	25579	24416	18876	23103	17075	11762	10800	0	19832	22418	0	48199	37853	69190	19600	34766	0	26930	29209	7324	6013	5126	0	18443	35194	0	41453	10583	0	35822	13464	Peptide	0.29411766	1.2352941	0.1764706
6	C20 H22 O3 N1 Na1	348.157	348.1578	0.4566945	348.15717	263028	0	258918	275124	79401	98503	180632	312489	83541	275235	179802	13660	80772	53451	203810	294975	234210	131403	165189	298347	331593	0	181932	328563	188195	90336	161893	413103	252675	0	266211	278313	0	0	327795	248037	297666	187071	0	289671	0	122451	0	0	0	314535	310542	0	336900	257616	282972	286656	0	0	105900	46170	73947	283575	173175	241413	313068	185619	89193	93024	72225	113220	169706	318120	115389	185265	209931	0	218106	213930	149127	219048	0	175830	0	707193	186513	154170	189285	181056	65619	88716	204444	0	149184	1196	2852895	2209185	0	373000	333561	0	276534	0	45807	50058	51888	279795	173293	374589	211989	0	59850	0	194175	113481	Phytochemical	0.15	1.1	0.05
4	C15 H25 O8 N1	348.16528	348.1659	-0.056340307	348.16528	9713	12603	9017	8341	13189	9501	9520	10445	12528	0	3864	7649	21578	24389	8428	10982	10670	16409	14239	5007	4633	8977	8983	12540	7206	0	9164	0	10447	9320	8957	10768	12713	12646	5198	12372	12277	8589	12882	3824	3005	9627	0	0	0	6144	5092	0	13824	13124	9719	8916	11934	0	15795	15400	6621	13987	8126	5975	12137	1880	13125	11257	5251	12687	9525	10364	3334	0	0	12683	11151	11827	4207	8883	0	8135	10879	0	6489	4747	5613	0	17716	10304	15718	9121	8408	8187	9027	6071	12721	2576	3127	0	8740	10204	8324	13579	18197	10526	5547	9841	0	8110	14104	0	5643	15346	Lipid	0.53333336	1.6666666	0.06666667
6	C15 H25 O8 N1	348.16528	348.16583	-0.06617612	348.16528	19237	24722	23157	25688	17776	20420	18051	45984	26128	8341	8776	17910	41437	10037	31353	33804	24749	38162	35862	15665	15454	14061	27593	42105	15979	0	14579	4403	40966	38438	27542	29055	33203	37043	13559	39927	31275	20166	21660	0	8061	23296	818	0	0	19757	17478	0	29510	34010	25131	22101	16995	0	42285	31527	15025	27557	21952	18330	35523	6964	25774	25269	12530	31775	20188	22253	6113	5394	0	38591	33147	39221	12807	21787	0	21966	20921	6214	21745	11218	14376	0	32433	24669	23604	18621	20741	20999	15204	18160	41462	7432	12097	417	21005	31935	15899	27860	45537	36208	18135	24561	10180	22586	26698	0	17692	31543	Lipid	0.53333336	1.6666666	0.06666667
12	C15 H25 O8 N1	348.16528	348.16577	-0.024716415	348.16528	65724	44787	73383	57115	103285	97154	80701	142024	147562	37722	45852	65084	191556	54479	126146	65458	118213	208130	196690	88411	108918	54335	136735	74725	107481	28547	25657	30897	161514	68919	103696	70006	147139	83685	97345	107281	84838	95405	98783	49534	29878	95647	4381	621	617	81536	47702	627	69928	70384	58281	55175	121409	1026	303751	142559	80022	97573	121153	68324	69706	55024	158413	148125	63349	141342	104434	96100	46363	57805	46809	75768	83463	98510	53453	59167	360	94479	105171	51225	85389	53505	93136	46908	135617	100163	115603	58529	96189	96238	56711	97491	124295	47300	24921	1988	65304	109674	88945	119114	154795	84792	72429	58422	36334	92266	140795	607	69066	188209	Lipid	0.53333336	1.6666666	0.06666667
18	C15 H25 O8 N1	348.16528	348.1657	0.040464144	348.1653	40036	31507	33483	35085	53073	43295	25319	35084	66078	28438	22305	25840	109642	33948	36195	36561	22259	89501	83852	38776	30510	24078	36600	42259	24026	9173	19477	18208	46933	33443	36859	39273	49375	39100	31963	45886	48691	29321	19957	28399	14906	36452	1932	780	598	17275	12738	984	34541	31856	36369	32717	48233	918	138999	59335	28403	36080	22685	14928	35697	22527	72459	83398	19510	65794	38150	21323	8382	18564	11444	24670	34039	40492	28856	33759	729	25408	23562	23323	19561	7682	21135	13345	55578	40191	32413	26075	36236	19488	30876	39272	40631	12600	22691	1192	36015	45798	37987	39231	45996	50832	21879	38942	10980	20878	50874	690	15443	81388	Lipid	0.53333336	1.6666666	0.06666667
4	C14 H25 O7 N3	348.1765	348.17722	0.27917987	348.17664	7405	7014	5540	5921	1452	3029	1395	1741	2546	0	5373	1612	3786	1144	1911	3838	2837	2342	1475	0	0	1613	2280	3053	1689	0	1675	27804	1921	1769	1573	0	2310	1505	0	2392	2020	2611	5017	0	0	2367	0	0	0	0	0	0	1984	1290	5913	4196	1536	0	2910	2121	1089	2795	917	778	2914	0	1461	1253	1204	2282	1028	3446	0	0	0	2059	0	2080	1177	1073	0	1597	1738	481322	2166	0	764	0	1958	1939	1958	1799	1440	3068	319697	110337	3810	43748	3130	0	5221	6182	2789	1784	3523	2004	1964	0	0	2255	3353	0	1922	2710	Peptide	0.5	1.7857143	0.21428572
2	C14 H25 O7 N3	348.1765	348.17722	0.10156348	348.17657	28086	27450	25646	27060	9665	118968	3425	10646	5739	4052	56085	5166	12735	5614	5155	3187	6539	27545	9748	1256	1429	7794	5781	11789	2804	0	0	269937	14469	4910	11300	8680	21013	19392	2920	7903	18691	4181	8894	1078	709	12060	0	0	0	2751	767	0	11886	5337	25745	27214	7541	0	5176	3998	3009	12811	1161	718	3543	257	6925	5113	4039	17093	9227	9672	0	828	0	22344	16600	7645	777	7133	0	5138	5117	1475423	3322	0	773	0	4360	3816	3202	17555	10954	12794	769535	404022	13988	291922	2223	0	28646	25206	4972	4337	5193	10229	4885	2897	628	11130	4974	0	4011	14665	Peptide	0.5	1.7857143	0.21428572
6	C14 H25 O7 N3	348.1765	348.17715	0.21081981	348.1766	4617	4151	3372	3905	1415	2033	1379	4321	789	1988	6151	2057	1585	0	1210	3059	3452	1039	2112	0	0	1315	2288	2793	1350	0	1850	24606	1235	2485	2180	2350	2583	2595	1014	2301	3125	2075	2909	0	0	1051	0	0	0	0	0	0	2275	1605	3459	2644	1447	0	575	1116	1049	3241	0	0	2657	0	826	0	0	1584	1172	1969	0	0	0	1873	2931	2183	987	2153	0	1492	2393	88916	1806	0	0	0	827	1044	2553	1458	1319	3695	98746	41844	4781	19558	2641	0	5722	3893	1227	1041	1306	2490	1528	0	0	2407	756	0	2380	1965	Peptide	0.5	1.7857143	0.21428572
0	C14 H25 O7 N3	348.1765	348.1772	-0.09271956	348.17648	17004	21303	16893	16423	24065	85436	1979	26403	8356	2929	2756	7090	32677	13405	4622	8443	3661	46182	18717	2721	4917	11569	8194	43128	6240	0	0	13149	39404	8278	20488	26332	51007	131623	5185	24112	35302	3882	6123	1653	0	30723	2989	0	0	5475	0	0	32147	10557	14106	14077	20058	0	8131	3056	2410	38410	1152	0	24551	0	17533	8049	6700	39714	30444	6361	0	0	0	151681	99945	15424	0	21140	0	10476	4446	43658	3050	0	0	0	3158	2756	4906	57099	27835	5227	64618	22423	23445	10524	0	0	18253	21659	3140	3162	4936	17123	5372	3004	0	34979	4954	0	2824	42144	Peptide	0.5	1.7857143	0.21428572
12	C19 H25 O5 N1	348.18054	348.18103	-0.023255719	348.18054	85748	98996	91789	103533	49046	44165	106862	107713	50768	162824	96882	59588	46333	28494	58309	114748	108168	69279	76862	240374	243492	131531	70823	113691	68266	188824	97539	92519	91737	89522	80076	99048	103831	83030	209919	93528	100525	66788	138754	154744	188042	51919	1102	519	624	101867	132905	694	101276	87381	107385	96837	49455	550	59865	31880	30878	118655	40109	75635	92747	91491	56468	43885	25620	56058	51805	125645	142987	270307	272291	88840	86752	84199	102865	86485	513	63532	64149	50749	66926	57524	52298	101457	39792	31818	84382	46321	56542	169058	117489	100660	144243	87957	128659	868	107427	119539	40929	32112	36460	104651	62055	100088	42532	87755	32479	0	78795	54298	Phytochemical	0.2631579	1.3157895	0.05263158
14	C19 H25 O5 N1	348.18054	348.18103	0.027726928	348.18057	130024	128141	130914	141796	70658	67775	122537	137806	58027	194698	138747	98238	64305	42748	89580	160199	152226	81547	102619	253057	274849	202815	83910	154632	91442	291835	121933	130072	112184	119139	106977	145206	144315	117518	236212	123794	137896	82304	164886	190909	259796	70477	0	738	617	138703	160345	0	129780	127179	134917	123731	69805	794	74558	47977	51422	163978	83563	158684	134264	117079	72537	63962	46781	66853	72707	170611	212082	329035	345146	111123	112989	114124	143804	132253	557	87060	112064	106425	100187	89314	104284	139059	72993	56018	115354	77973	76113	234709	161446	142864	196672	121923	173971	775	130107	129497	48804	51556	57127	131811	84534	165570	63881	129935	55101	697	106657	67993	Phytochemical	0.2631579	1.3157895	0.05263158
24	C19 H25 O5 N1	348.18054	348.18094	0.060773168	348.18057	27188	21381	20303	24183	28666	16233	9286	26280	16515	42463	39185	15573	27577	15785	12873	31268	17860	29032	34384	56412	52677	30431	18544	27128	12888	48752	9108	37677	22827	24048	18036	26144	22338	19060	44036	29785	29488	13971	23456	39664	44734	13617	4107	0	0	24089	25145	0	23021	23913	24866	22833	21952	0	17400	18315	10732	29885	16904	17724	28155	32791	20235	14867	6435	30293	18338	17262	54109	44475	72745	21276	18871	19270	13805	20246	0	15113	17210	22221	13242	14974	14142	24493	18280	10513	13995	18918	21371	24787	34325	28850	36134	24022	40358	0	27036	29763	11956	18585	19955	26510	13659	32331	18117	22565	17501	0	14543	22407	Phytochemical	0.2631579	1.3157895	0.05263158
22	C19 H25 O5 N1	348.18054	348.181	0.061142266	348.18057	95916	99296	89526	92461	90356	64724	44905	85667	67715	183018	139238	53405	74935	59478	61928	100232	76286	92269	85264	209525	223614	122022	64198	117468	64582	196393	44871	128529	91211	70833	72607	94291	93782	91510	169663	84177	108411	45963	67553	154534	162517	63038	10055	0	2696	96712	92245	0	82883	74562	91225	93383	67475	2764	71871	69008	42819	92217	67405	68668	95838	124710	70406	60380	31397	85750	74630	81312	174221	215705	246624	89028	72368	64613	53690	79153	1551	59781	62149	78985	54134	56681	62685	105727	66291	48614	61925	67157	58082	92171	123283	126662	111342	104255	139044	3974	88197	100043	53778	63245	65584	111035	51840	104544	56813	92934	66406	0	55408	77306	Phytochemical	0.2631579	1.3157895	0.05263158
2	C19 H25 O5 N1	348.18054	348.18118	-0.054812916	348.18054	39943	37297	37263	37583	7449	13913	35610	69621	7201	36977	23505	34532	6225	6573	40423	50130	52454	12537	17848	52460	62713	39211	30979	57145	25979	32868	31384	21818	57876	53687	47307	52147	49529	50215	47289	58303	46561	33519	55761	45358	46614	18365	295	0	460	30225	38086	0	57833	58188	32978	39282	13397	279	12466	4364	8118	45174	10094	16866	43169	24852	6673	9847	8844	11731	16782	62199	29834	37055	45183	50573	52776	64796	52773	49180	0	34500	32666	18803	35617	17246	20620	28820	6578	10159	28736	17765	20065	59152	25860	22579	64385	25626	42507	580	38517	41298	5699	3689	5255	45199	31229	62797	19550	42616	5125	308	27363	8246	Phytochemical	0.2631579	1.3157895	0.05263158
10	C19 H25 O5 N1	348.18054	348.18103	-0.004972531	348.18054	163379	151636	150455	130791	51260	44909	146484	210086	43654	252882	124404	131264	54498	33112	96582	166992	184347	69084	95127	346655	323003	153873	86963	152799	83219	208053	148039	112783	196419	211272	173295	237269	290904	202643	276506	225915	269871	93228	257102	214810	211902	59457	1052	525	626	107963	105585	523	213336	197785	156420	147654	55249	696	63816	25628	34000	156428	28468	140532	174118	98567	51000	48802	35701	64184	66467	267312	168163	314632	281194	215321	238617	246020	226750	239284	0	126367	95909	69024	76516	43930	83927	121267	37975	33724	90362	65583	64557	152271	135323	104437	169602	92801	166120	1018	160885	153457	31393	26837	33623	247407	125059	222737	39791	163534	35636	0	82853	67137	Phytochemical	0.2631579	1.3157895	0.05263158
4	C19 H25 O5 N1	348.18054	348.18115	-0.003662319	348.18054	85485	100569	91592	89409	22543	34069	61377	138273	22322	150758	60288	68163	25237	18127	80861	123987	109655	41951	53437	179925	184732	118911	65804	136515	70527	105700	65941	63547	115231	85785	101556	115001	119622	100538	185481	117444	112824	69011	112390	128021	116761	38285	907	273	408	92187	98128	402	122972	118481	86510	78249	32021	559	38615	13104	21316	99384	15625	31945	113102	70475	26247	30476	19725	36235	38455	120790	79007	155722	140746	99632	98480	123424	96976	95928	0	73863	75469	65295	68960	35012	47840	79052	23164	26274	66946	37744	44882	94891	110792	76970	139507	81412	151050	785	85672	101190	19552	15250	15711	107423	60992	162635	42922	85597	15200	370	64013	30473	Phytochemical	0.2631579	1.3157895	0.05263158
6	C19 H25 O5 N1	348.18054	348.18112	-0.014823459	348.18054	127371	134436	119926	126232	43497	56087	77645	165106	43733	282645	108996	70645	47707	27654	85271	156559	96414	68669	98318	313226	311858	186492	79954	222038	97042	181580	76093	97626	132466	124610	129357	162734	173505	135995	329687	126740	170655	77750	131583	170779	143125	55829	0	288	408	139213	129226	280	179855	127094	135778	135878	52389	373	61323	25151	33135	156063	12547	38605	146367	90970	52201	45826	25666	60047	67900	135452	137268	329206	289571	131447	127467	125151	101224	114342	329	77203	77900	87842	67685	38789	39226	119356	33182	39004	88369	56939	65967	139545	155500	98873	226388	112938	231581	584	131912	120033	27507	21378	31999	155433	70984	165188	57581	121595	28202	458	86080	65466	Phytochemical	0.2631579	1.3157895	0.05263158
20	C18 H25 O4 N3	348.19177	348.19205	-0.49879465	348.19162	2391	3346	2979	2523	2224	1801	0	2718	0	5640	1525	1800	3056	0	3343	4927	2389	0	4554	4967	2748	2264	0	1737	1792	2897	0	6054	3369	2528	0	1808	3670	0	2688	2602	0	1933	2797	2248	3922	0	0	0	0	2078	0	0	1640	1958	2735	1669	0	0	0	1323	1004	4304	1348	1886	4841	1507	1477	0	0	2581	2443	2942	2128	3816	4894	1989	1992	1821	1930	1492	0	1222	2559	7431	1549	2926	1393	0	1761	0	1953	2239	0	5075	30277	20165	5590	2349	2462	0	2498	4484	0	2061	1751	2555	0	2963	2124	0	0	0	2246	2188	Peptide	0.22222222	1.3888888	0.16666667
22	C18 H25 O4 N3	348.19177	348.192	-0.5892647	348.1916	0	2271	2158	2254	0	1218	0	0	0	0	3797	0	0	0	0	0	1621	0	0	2493	2199	0	0	2684	0	2092	1304	17531	1554	1415	0	0	0	1190	1592	1352	0	0	1259	0	0	1280	0	0	0	0	0	0	1847	0	0	0	0	0	0	0	0	1882	1184	0	1976	0	0	0	0	1797	1218	0	0	0	2477	0	1217	1394	1842	0	0	0	0	10735	0	36216	0	0	0	1155	0	0	1751	2515	1888	0	3197	2021	0	0	2409	0	1387	1824	0	2172	1244	0	14965	0	1035	0	1538	1787	Peptide	0.22222222	1.3888888	0.16666667
2	C18 H25 O4 N3	348.19177	348.19238	-0.0697354	348.19177	12549	11433	9683	12566	2016	0	11264	17596	2504	9660	5820	11184	2172	1691	12194	11513	17150	5418	7089	11845	15056	15299	11122	13578	10329	3872	6835	6025	16162	11932	15334	13946	17304	13290	11753	14216	13589	10744	22474	14583	14448	7276	0	0	0	8350	9806	0	14489	12962	12716	9887	5412	0	4410	631	2735	15109	3558	5968	9437	8826	1671	3091	3081	3353	5603	18285	3568	6619	6341	11961	14164	0	0	12960	0	9643	11241	12529	10553	4910	8045	9620	1369	3496	11088	6228	6435	27247	15215	12930	26762	11097	8763	0	13534	12330	2075	646	802	13780	10152	15504	5999	13853	1766	0	13085	2192	Peptide	0.22222222	1.3888888	0.16666667
8	C15 H29 O4 N3 S1	348.19516	348.19543	-0.2438263	348.19507	986	0	0	1751	0	7246	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6336	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1069	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8119	0	0	0	0	0	0	0	0	0	0	115821	51515	0	0	0	0	1468	1119	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26666668	1.9333333	0.2
0	C20 H29 O2 N1 S1	348.1992	348.19992	0.39448416	348.1993	61038	64039	76145	57932	0	0	0	0	0	379380	297783	0	0	0	0	0	0	0	0	7311	1485	15662	0	0	0	0	0	375478	0	0	0	0	0	0	62966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	69239	49513	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	516978	0	0	0	0	0	0	0	0	0	0	126408	30291	0	232793	3691	0	64358	71925	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1	1.45	0.05
12	C16 H29 O7 N1	348.2017	348.20212	0.0834684	348.20172	1826	3086	3896	2654	10742	5070	17445	11459	3703	0	0	4749	7624	20410	9703	5609	11410	9938	12157	0	3816	0	7835	0	12483	7572	2807	0	15761	4403	10747	4677	10684	6021	3455	9450	7860	7212	9939	0	0	4101	2892	531	0	4636	0	0	5717	3111	4234	0	5853	622	8631	6739	2925	9914	0	8808	0	0	5349	4876	10874	7062	8232	12470	0	3126	0	3123	7342	6667	3173	3584	0	9103	5972	0	3922	3706	50991	26714	10719	7768	12295	2693	6740	12979	5352	6807	7142	0	0	731	5263	5162	6117	9026	11432	5599	5976	0	0	9418	9590	0	6449	6695	Lipid	0.4375	1.8125	0.0625
20	C16 H29 O7 N1	348.2017	348.2021	0.046771295	348.2017	5442	6108	8565	5061	9910	8325	14958	3377	8193	0	1724	2333	10243	8735	10129	6665	2088	11982	15621	3131	0	2135	4857	4796	7167	1289	5631	9726	8967	4632	6668	7361	13651	8824	1753	6128	13458	5322	2627	0	0	7716	1690	850	538	3748	2331	0	4593	3035	6194	6667	10731	900	23951	10870	4020	6491	7600	0	4678	1380	7348	7828	10065	11518	7915	5844	1601	0	0	3690	7507	10392	2581	5456	621	4797	0	6438	2483	2168	21797	7268	7093	7190	3299	6807	7512	3443	20911	14243	5698	1930	0	0	4462	5171	3073	3937	10208	12804	3653	4940	4064	4183	6316	613	4026	8684	Lipid	0.4375	1.8125	0.0625
0	C16 H29 O7 N1	348.2017	348.2023	-0.23460561	348.2016	0	0	0	0	1814	0	0	5606	1786	13444	6222	0	5302	0	3276	0	5170	2408	0	0	3720	0	2222	0	0	0	0	6318	6618	0	4334	5278	7410	4518	0	3910	6020	1802	3324	0	0	0	0	0	0	0	0	0	7784	0	0	0	1946	0	2296	1810	0	4886	1266	1234	0	0	0	2294	4854	3280	4074	6538	0	0	0	0	2968	8736	0	7200	0	2336	0	54006	0	1512	0	0	1294	0	0	0	0	3522	3602	0	0	0	0	0	0	0	1052	1034	1860	0	0	0	1876	4192	2482	0	2596	3928	Lipid	0.4375	1.8125	0.0625
18	C16 H29 O7 N1	348.2017	348.2021	0.011430535	348.2017	12664	8518	9046	7420	10889	12096	33681	11777	10578	0	1692	3666	24572	18622	15896	13766	9362	22238	20855	5279	2547	2756	9564	8801	17375	1877	18617	9757	16094	10224	6433	17524	20366	11409	2657	14784	17429	8711	5806	1972	1627	12365	2909	0	434	4054	1922	0	14220	9590	9964	9385	11269	765	32558	11520	7492	13360	5235	3880	13324	1765	20079	10230	17091	19537	15739	3881	1172	3013	0	7968	13032	14646	6320	8489	291	8002	7178	11673	2699	2759	41078	14945	9470	10793	9656	4581	11570	2717	50641	43457	13987	2121	0	0	14618	12138	8867	10883	17982	16427	5720	3877	7560	8006	9005	0	7162	14401	Lipid	0.4375	1.8125	0.0625
2	C16 H29 O7 N1	348.2017	348.20224	-0.117365316	348.20163	6164	4796	7934	7492	1973	0	3627	6076	3217	1991	4078	2666	4905	3509	3881	3234	3294	3752	4786	2443	1294	4145	2132	3897	2392	0	1966	5299	6356	4661	6107	5174	7529	3937	3191	6424	6195	2803	4260	1090	0	0	0	0	0	1548	1240	0	7235	2632	9636	4334	2613	0	3917	2083	1201	4333	1514	605	3642	0	3169	2482	3269	3749	4432	4891	0	1015	1146	4608	5317	7981	2309	5111	0	3150	2326	15474	1925	1196	1442	732	1931	1976	3256	1987	3764	4311	20248	21892	6552	9778	2068	0	10544	8498	1914	1873	2891	5117	2813	4147	1291	3622	1717	0	0	4888	Lipid	0.4375	1.8125	0.0625
4	C16 H29 O7 N1	348.2017	348.20227	0.011313738	348.2017	5040	6556	4857	2747	4052	5238	4711	5113	3432	0	0	1884	6829	4885	5068	2815	4557	4303	4465	1898	0	2621	2854	3586	3134	654	2531	0	5246	6794	4042	7871	4492	4165	2525	11693	3383	5326	4023	0	0	1880	0	0	0	1821	0	0	4340	2198	5467	3762	3563	0	4051	5509	1975	3433	1978	1000	2877	0	3402	2991	2632	5041	2341	4112	0	0	0	3775	14150	32146	3151	4574	0	3446	4669	0	3495	867	1822	0	5321	4960	5795	1211	2480	3477	12622	11535	4974	0	0	0	3386	5303	6029	5147	5770	3339	2957	2767	0	2858	4963	0	3072	5527	Lipid	0.4375	1.8125	0.0625
2	C15 H29 O6 N3	348.21292	348.21353	0.042849794	348.21292	2158	1102	968	1512	1991	0	687	1242	1249	304	0	432	3258	1227	935	1156	1185	2785	1313	0	0	874	590	1615	696	0	0	1662	1395	1419	770	925	1737	794	0	1132	1744	572	624	0	0	0	0	0	0	381	0	0	859	661	1197	610	626	0	734	650	363	1892	0	0	1378	0	1387	0	0	3342	906	1665	0	0	0	898	1337	708	778	702	0	660	914	4510	0	0	0	0	527	312	1342	632	1152	0	24392	15575	2733	0	0	0	1253	1204	485	412	637	1024	657	418	0	1632	447	0	738	3088	Peptide	0.4	1.9333333	0.2
4	C15 H29 O6 N3	348.21292	348.21362	0.18420306	348.21298	735	933	708	453	471	286	0	0	0	0	0	0	949	0	326	0	0	0	398	0	0	0	440	0	452	0	0	0	0	0	0	0	503	0	0	0	0	420	0	0	0	0	0	0	0	0	0	0	0	0	907	1031	0	0	428	236	0	628	0	0	0	0	362	317	0	372	0	0	0	0	0	0	0	389	0	0	0	229	517	4859	475	0	0	0	0	0	560	0	0	635	62283	27263	894	0	0	0	776	616	635	554	826	0	0	0	0	518	432	0	0	760	Peptide	0.4	1.9333333	0.2
26	C20 H29 O4 N1	348.21695	348.21738	0.090348065	348.21698	20067	20220	23251	20896	49997	15783	8856	15609	27093	24160	37992	7820	40175	12863	7689	16431	13187	19475	29310	64024	51016	16864	7116	23230	9117	35084	11299	48626	13781	14800	13556	17886	15460	14846	43331	17678	15727	10076	15064	41331	56751	13344	0	0	0	19204	16631	0	15535	7585	20206	20388	30355	0	32583	34712	12059	17793	13290	14619	18837	27126	22029	22030	9141	40195	36647	18358	31587	29986	36649	18236	15486	11153	13820	14333	0	6945	15912	23095	8382	14403	17330	33806	29593	13896	22443	19715	17076	25100	20501	26459	13134	26715	28270	0	25329	28223	43895	31580	41499	22849	5903	21550	16345	12246	42586	0	11627	18380	Lipid	0.2	1.45	0.05
4	C20 H29 O4 N1	348.21695	348.21756	-0.045479912	348.21692	37120	39734	38680	33854	2415	13447	29351	85811	1688	43897	19146	40748	1296	2684	40574	78376	47628	6239	13820	48850	41715	31223	34178	70679	42552	31561	34615	17620	63031	49708	62878	63190	63262	49207	49213	65594	64078	35386	51079	34126	16899	14672	0	0	0	26062	25129	0	84546	70163	43152	33636	11295	0	3407	1187	10133	66888	570	1261	70873	16080	1124	3920	8622	9464	11724	51650	18518	25726	27932	58911	51381	74195	62503	45478	0	41534	48117	29523	42963	4004	6031	23173	1799	6702	39960	12290	17003	51171	52161	15684	68602	25421	51754	0	36566	41875	2385	1281	1247	59702	28979	56707	14904	48965	1235	0	41502	3242	Lipid	0.2	1.45	0.05
16	C20 H29 O4 N1	348.21695	348.21738	-0.04933421	348.21692	27629	24681	22645	21410	12848	9832	18789	21259	7170	27280	25669	19494	9906	9093	13456	32341	36597	8992	13929	50230	47639	31017	13556	28635	17611	43762	20059	24498	21475	22322	16123	24822	28851	17335	33966	25362	31159	14718	40173	29315	30447	14018	632	0	0	18769	26235	0	28598	25155	24521	23518	15694	0	6578	5923	6137	28156	13074	21147	30229	10538	7448	7607	8220	19392	11608	43011	39700	58055	67211	20610	18724	23692	24843	25097	0	12485	19172	25446	12730	9988	13835	21016	8909	8387	23893	17111	10875	89728	41571	34432	47419	20995	34133	0	25493	18523	9201	9102	10408	28768	12291	24679	14571	24180	10209	0	20397	8682	Lipid	0.2	1.45	0.05
24	C20 H29 O4 N1	348.21695	348.21732	0.029577544	348.21695	61422	64269	62363	61497	78105	41690	34212	68667	45396	61938	63605	43432	68461	37240	38248	84637	86902	56403	67471	90081	98683	60542	45647	82743	44026	98606	34216	57128	67938	73927	57297	70486	74231	81495	51879	87785	73329	31360	87756	82246	98455	42469	2184	0	0	59898	74280	0	70212	64472	63136	58180	64884	0	68077	56198	28759	76914	46392	57497	88072	48857	53004	52980	22525	66321	53302	84373	87397	83839	118920	64070	73109	64946	67784	58851	0	41918	57493	67465	37267	35594	51171	54889	60672	30745	67625	49684	48561	111196	79291	85395	84663	67949	78538	0	60457	75385	60320	68694	88823	100902	37044	82194	42369	75974	64133	0	50078	48819	Lipid	0.2	1.45	0.05
22	C20 H29 O4 N1	348.21695	348.21735	-0.009775482	348.21692	81065	90199	72108	80552	70751	65868	54362	92119	48133	92339	89095	60751	56830	51267	56443	119843	119537	63399	69551	146172	129394	110479	52492	103763	61133	136294	52252	74853	103488	95595	74557	101082	113306	107688	75330	117547	102695	49022	117575	99359	136190	54441	0	0	360	76857	103868	0	99559	88391	95192	81325	54946	918	52286	51963	42740	98575	57712	93963	120816	69748	48351	43001	33740	72101	62817	126221	122159	124288	171514	86635	85603	87020	95252	88421	648	53464	58497	95500	45997	57966	63182	71766	52750	43387	83509	70905	55056	171279	133344	130285	121142	91138	135235	0	77540	90557	54889	70781	81472	144580	48227	119624	56586	96834	54859	0	68184	44944	Lipid	0.2	1.45	0.05
10	C20 H29 O4 N1	348.21695	348.21744	-0.025642604	348.21692	80866	80153	76581	74997	18766	20921	76411	135651	12353	89721	47186	75977	10707	10721	80983	141348	101673	23791	43257	136406	104042	51767	69845	105545	136828	59745	98016	47807	98089	100266	92650	120361	138443	94533	100683	100658	132801	79039	115178	72659	22935	26889	0	0	0	55430	47472	0	127762	104895	81945	79810	30113	0	20158	11489	21243	130616	0	6635	133718	22630	18204	15521	21875	25071	33034	127018	48459	97562	81458	120820	105833	101009	87681	93399	0	77537	194095	89227	96442	7389	4596	47923	11049	16939	179547	31774	34448	147812	105178	11102	136877	47287	73698	0	77943	80615	12121	8704	9966	120200	73092	65041	14076	115579	12549	0	175607	10984	Lipid	0.2	1.45	0.05
20	C20 H29 O4 N1	348.21695	348.21732	-0.04348231	348.21692	71074	72407	75142	60231	47035	33493	47442	68946	30721	71411	62884	48609	38151	33118	40237	111906	95613	43923	66089	97190	107595	89931	40600	90874	52908	162126	47417	75628	62930	66131	50732	71165	75383	73247	76280	70588	76965	42314	84894	79798	120695	41955	4244	3678	2691	57091	88103	2862	61148	67544	69308	75026	42716	3933	32117	34779	24453	89742	37313	78675	83042	44754	25426	27011	24648	47652	47022	93764	118598	123835	198528	61420	67878	65809	100298	65989	3215	45866	57435	82140	36068	37387	56022	63283	39299	31986	72773	57207	44835	231273	131347	110009	130855	75727	94308	2649	66400	80192	34179	38350	44092	91637	41533	95218	42025	85874	36111	0	63762	31498	Lipid	0.2	1.45	0.05
6	C20 H29 O4 N1	348.21695	348.2175	-0.03700446	348.21692	63601	59707	62134	64848	7319	66065	42634	149049	4782	70657	32321	55509	3879	4743	65032	117387	64689	12486	27892	92657	82852	47871	56590	114019	84709	34812	51180	31294	120718	106859	126926	125873	110660	103301	80701	120124	143138	48515	84715	53706	24408	29475	0	0	0	52330	43729	0	148546	113509	70907	61499	19427	0	6121	1694	11042	115698	1514	1864	129534	30563	3487	6127	10924	11343	28430	94529	23763	55077	46005	125176	105527	127747	85547	103892	0	70774	36865	33320	39277	5850	8288	42222	2902	9235	36629	25096	33689	94209	90415	20691	125007	38056	76971	0	62441	62790	3080	1714	1860	102906	56497	74163	15493	96020	3286	0	43623	5105	Lipid	0.2	1.45	0.05
14	C20 H29 O4 N1	348.21695	348.21738	-0.016857166	348.21692	21630	25463	20051	17931	6439	8452	18565	22604	7965	28184	24873	28944	4434	9970	12119	29047	23571	6078	10258	50103	43656	16706	8439	22072	12697	40241	20714	20550	18318	22807	16884	28262	26633	19472	34427	25206	23014	16665	24027	28692	21476	8824	0	0	0	21095	26246	0	21866	24283	20492	22640	11891	0	5516	4125	6278	36120	0	15942	19973	8971	5873	3668	7392	9192	11053	23041	18834	45975	48284	17139	23821	21800	27164	24092	0	26847	13581	0	14905	2723	7022	21575	6167	3039	19030	8522	11242	41617	37038	9050	34960	19061	31590	0	15598	21070	7840	2629	4498	22265	31743	17779	0	26744	3833	0	16790	10855	Lipid	0.2	1.45	0.05
8	C20 H29 O4 N1	348.21695	348.21744	-0.028582007	348.21692	93853	94688	75725	94483	12849	26235	65711	174807	8528	95459	57470	81156	7969	9141	86462	153818	88815	20599	36148	144046	112311	61465	74034	132732	98664	46804	86698	49560	153499	139400	148896	190873	172848	156519	130506	161153	189291	73674	113651	90199	28432	36687	451	0	0	62578	53503	0	192005	153398	85732	92870	24233	0	10361	3673	18271	131041	0	1844	125681	33394	8122	11502	21107	21394	34516	135703	32379	73758	66427	174994	154147	168832	119178	153726	0	96493	74434	44137	62168	7307	6235	55755	4721	12495	68574	37244	45676	126935	115425	25049	170619	43850	98025	0	90240	86571	6107	3099	4170	153966	85677	111860	21018	123360	7650	0	75811	10517	Lipid	0.2	1.45	0.05
2	C20 H29 O4 N1	348.21695	348.21756	-0.032501582	348.21692	10122	8557	8789	8190	533	0	11436	21173	277	6763	3649	13174	0	0	15515	21071	13727	1715	2484	9325	10150	6432	13754	15036	17540	3959	10948	3175	14648	15049	14282	13974	17260	10797	7904	15252	15485	10410	14138	7183	7250	4616	0	0	0	5181	5029	0	18177	17094	9245	8867	5603	0	305	286	3214	17496	773	1030	15817	3938	410	631	3106	2965	3977	17373	3093	3303	3582	12828	14065	17746	12826	12711	0	11390	27720	6210	16710	1468	3850	6695	398	4480	18721	1979	4618	11066	10059	3885	12080	5894	10201	0	9931	10275	530	265	543	14213	10059	13858	2887	9962	444	0	20602	509	Lipid	0.2	1.45	0.05
12	C20 H29 O4 N1	348.21695	348.21744	0.0113055	348.21695	33897	39905	43607	37669	15622	13193	40683	65502	9266	52418	33584	34516	6751	11655	30285	91122	42145	10574	17862	68938	64491	29066	26483	42924	95624	45049	54272	25894	41966	45448	51403	49227	56830	37184	75988	42354	44972	35212	45102	39209	15136	18330	408	0	0	27401	25784	0	56348	47980	36011	40745	17881	0	7664	3128	12598	59309	0	0	55544	11258	6425	5673	13783	15115	16004	52045	26397	75289	68231	42744	41734	38653	40738	37591	0	38571	86668	35913	58024	3494	2041	27911	5073	7851	135150	14251	19084	161142	57409	9676	68358	28613	45995	0	40686	38956	7732	4620	5597	50554	33918	23529	0	51192	7738	0	111331	7735	Lipid	0.2	1.45	0.05
18	C20 H29 O4 N1	348.21695	348.21735	-0.05765995	348.21692	43821	46315	39107	35544	26527	22427	35669	48445	14576	39793	35159	26845	15802	19442	23804	60179	65921	26279	38973	53664	69733	45705	24993	51342	27775	93187	36193	44950	40113	44225	32781	38876	42903	39536	34004	37329	49243	24516	63520	54836	71177	25484	10635	8183	0	26487	41211	8544	41636	40192	39353	37418	21673	8286	13779	16143	18286	50963	19183	48524	49836	29402	18183	19409	15490	28579	23916	72798	76144	75648	112941	33443	33017	36850	61582	44966	6531	26700	37839	48373	25557	21654	25287	37749	24426	21735	40658	28963	26667	115092	62161	49280	75331	36697	56461	8585	44818	40700	18482	20737	24945	57077	23185	47126	22883	45238	16135	9884	34413	19348	Lipid	0.2	1.45	0.05
20	C17 H33 O6 N1	348.23807	348.23834	0.055283904	348.2381	10800	4073	4996	7860	0	0	41693	3904	0	0	0	30727	0	0	7548	4704	91941	2106	0	0	0	0	0	2112	0	0	26607	4212	8398	15958	8867	16348	65310	15187	1657	14131	69473	6526	81660	0	0	0	0	0	0	0	0	0	8360	9859	6181	9251	2074	440	0	0	0	5604	0	0	5252	0	0	0	2090	2537	0	84435	0	0	0	7320	18388	31851	18525	12253	0	25292	0	3709	0	0	5901	0	0	0	0	3375	2387	1676	4224	0	0	0	0	0	9368	6667	0	0	0	65320	23256	0	1533	23572	0	0	2691	0	Lipid	0.3529412	1.9411764	0.05882353
24	C17 H33 O6 N1	348.23807	348.2383	0.026528131	348.23807	0	0	0	0	0	0	5677	0	0	0	3054	0	0	1855	0	0	0	0	0	0	0	0	0	0	0	1624	6466	20690	0	0	0	0	0	0	0	0	0	931	0	0	0	0	0	0	0	0	4196	0	0	0	0	0	0	0	0	0	694	0	1265	864	0	1152	0	0	3696	5019	4855	0	0	0	1872	0	0	0	0	0	0	0	0	7652	0	949	2818	3720	0	0	0	0	0	0	6657	6212	0	0	0	0	0	0	963	0	2560	0	0	0	7470	0	0	0	0	0	Lipid	0.3529412	1.9411764	0.05882353
22	C17 H33 O6 N1	348.23807	348.23785	0.10072317	348.2381	0	0	0	0	0	0	16421	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4359	2737	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15660	0	0	5323	1489	0	0	0	0	0	0	35450	38981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3529412	1.9411764	0.05882353
16	C17 H33 O6 N1	348.23807	348.2385	0.12825394	348.2381	1628	0	1935	0	0	0	9032	3890	0	0	0	1092	0	0	1365	3376	28658	0	0	0	0	0	4277	0	2681	0	8721	0	4553	2100	4700	4244	20899	4850	0	5216	22095	2371	22900	0	0	0	0	0	0	0	0	0	5966	4644	2298	1425	2838	0	0	0	0	6433	0	0	0	0	0	0	1043	3637	2150	14829	0	0	0	4507	5246	3659	5781	2491	0	1911	1803	0	1951	0	0	0	1346	0	3851	2243	1596	0	0	0	0	0	0	0	2462	1589	0	0	0	16028	2397	0	0	12735	0	0	2550	0	Lipid	0.3529412	1.9411764	0.05882353
22	C21 H33 O3 N1	348.25333	348.2537	0.06701132	348.25336	3588	1908	1376	2246	1899	0	2701	1715	0	0	1541	2215	0	0	0	4392	6137	0	0	0	0	3541	0	1466	1938	5462	3927	3058	3771	2346	0	0	2077	2483	0	1424	1993	988	8735	1451	4993	0	0	0	0	0	2417	0	3198	2293	3925	1873	0	0	0	0	0	3539	0	4059	2933	1170	0	0	0	0	1276	7018	2563	1897	2083	1183	3822	4049	3077	2811	0	1369	1675	3804	1145	0	1272	1284	0	0	5869	1293	0	24744	6443	0	10145	2130	2643	0	2120	0	0	0	1471	4239	1546	1335	0	2114	0	0	1748	0	Lipid	0.14285715	1.5714285	0.04761905
26	C21 H33 O3 N1	348.25333	348.25363	-0.008667245	348.25333	6568	8176	9653	11171	6149	2905	6329	0	2258	2870	10254	5959	0	0	0	9654	6044	0	4739	0	5596	29410	0	0	33869	14743	9764	10242	6084	6221	6019	5541	7387	6789	4487	9499	4102	8084	9291	5820	5892	6382	0	0	0	5908	0	0	7400	0	6768	6787	6344	0	0	0	3813	13451	4950	3778	10072	5348	0	0	0	6612	7462	6379	10989	4555	6389	6611	8153	0	0	6446	0	5364	18533	14860	4130	6720	9134	7037	0	0	79108	4661	3510	115665	10800	12055	9895	15219	24067	0	8198	7586	4728	3895	0	6413	5452	9782	5881	5720	8388	0	41672	0	Lipid	0.14285715	1.5714285	0.04761905
8	C21 H33 O3 N1	348.25333	348.25385	0.06820687	348.25336	5510	4787	5408	7000	1063	1320	3760	15329	0	3268	2905	6469	0	0	7153	14015	8175	0	1727	7021	3889	1780	6238	11308	8220	1443	5197	3247	12027	12025	10743	11319	6678	8689	4470	10444	11017	4466	6550	5161	0	1598	0	0	0	3029	1128	0	11867	11964	5838	6225	1163	0	0	0	1072	12363	0	0	14689	1611	0	0	0	0	1971	11294	0	1675	0	13396	8061	12642	9941	9040	0	6419	3578	0	5237	0	0	5550	0	0	10385	2688	1905	28464	0	0	20280	1810	5225	0	6202	5340	0	0	0	10167	4982	5330	0	11195	0	0	5398	0	Lipid	0.14285715	1.5714285	0.04761905
12	C21 H33 O3 N1	348.25333	348.25378	0.015460105	348.25333	7573	6064	8785	6076	0	3684	5297	34190	0	4458	4980	6710	0	743	13592	26355	4248	0	0	6992	8400	0	2288	12080	22853	4264	11053	0	16957	16740	12648	9238	9677	9648	4273	13049	12135	4542	4189	6670	0	2715	0	0	0	0	0	0	16158	29538	7236	7656	2809	0	0	0	0	18583	0	0	16011	1773	0	0	1072	0	3541	8018	0	5906	3860	14346	9794	14988	6768	10037	0	7895	3480	0	2231	0	0	3273	0	0	6901	2087	3607	122681	15236	0	52258	0	7181	0	5139	7508	0	0	869	5400	7108	0	0	21607	0	0	7771	0	Lipid	0.14285715	1.5714285	0.04761905
10	C21 H33 O3 N1	348.25333	348.25375	-0.002791753	348.25333	6031	7389	6099	7319	2860	2076	6332	21795	0	7173	3401	6677	0	5316	8764	17638	7296	0	2356	8063	5754	1978	4162	12462	7617	3729	16465	4519	12096	11987	13592	15244	10222	13146	8756	19690	13630	6050	3646	5229	0	3033	0	0	0	0	2005	0	13054	13806	5825	6699	2281	0	0	0	1432	14533	0	0	10118	0	0	876	1717	0	5715	11860	0	4742	3878	12298	11155	17367	6352	10842	0	7536	3409	0	2478	0	0	3630	0	0	5213	2457	2669	25349	11345	0	26781	3545	9355	0	5270	7587	0	0	0	12609	5438	4153	0	9784	0	0	2809	0	Lipid	0.14285715	1.5714285	0.04761905
24	C21 H33 O3 N1	348.25333	348.2537	0.023537345	348.25333	5890	3765	3798	4815	3886	1813	6786	7639	1006	2878	6875	3551	0	2511	3345	12089	7963	1255	3956	2595	2474	7576	3432	13308	6905	15420	4742	5948	8871	9999	5623	8362	5277	5262	4381	9369	1137	2357	10114	4736	11788	7928	0	0	0	3017	6883	0	6526	8336	4635	3195	2856	0	0	0	1841	6166	3752	11339	10563	1413	0	0	0	0	4903	10757	6819	6517	6256	4907	5870	6002	11047	6998	0	3518	4806	16578	4753	11959	7617	5309	0	0	10816	2574	4992	43210	11711	10091	8880	19981	14047	0	5185	5528	0	0	0	7033	3053	12348	9109	6373	1427	0	9903	0	Lipid	0.14285715	1.5714285	0.04761905
12	C18 H37 O5 N1	348.27444	348.27484	-0.16738226	348.27438	0	0	0	0	5327	20886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	86038	0	0	0	0	0	0	0	0	0	0	45748	0	0	0	61122	0	0	0	0	0	0	0	1144	34702	126834	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4846	0	0	0	0	0	0	0	0	1539	0	0	0	0	0	0	0	1877	0	0	0	Lipid	0.2777778	2.0555556	0.055555556
24	C18 H37 O5 N1	348.27444	348.27444	-0.29764983	348.27435	0	0	0	0	0	1237	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2306	0	0	0	0	0	0	0	0	1884	0	0	0	0	0	0	2372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1949	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	66896	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2777778	2.0555556	0.055555556
26	C18 H37 O5 N1	348.27444	348.2746	0.16977394	348.2745	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7437	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13642	0	0	0	0	0	0	0	0	0	0	12907	21833	0	2437	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2777778	2.0555556	0.055555556
22	C18 H37 O5 N1	348.27444	348.27472	0.08138763	348.27448	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1728	0	0	0	0	0	0	0	0	0	0	0	0	0	1266	0	0	0	0	0	0	0	0	0	0	0	3888	0	0	0	0	0	0	0	0	0	0	2220	0	0	0	0	0	0	0	0	0	0	1065	0	0	0	22070	0	0	0	0	0	0	0	0	0	0	4331	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1285	0	0	0	Lipid	0.2777778	2.0555556	0.055555556
26	C22 H37 O2 N1	348.2897	348.28976	0.12894161	348.28976	0	2625	0	2762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2271	0	0	0	0	0	0	0	0	61575	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2659	3586	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10021	0	0	0	0	0	0	0	146529	0	0	187877	0	0	0	0	0	0	2363	0	0	0	0	0	0	0	0	0	0	0	5298	0	Lipid	0.09090909	1.6818181	0.045454547
26	C15 H8 O10	349.019	349.01938	0.14367665	349.01907	0	2925	0	2920	8475	3654	0	0	7239	0	0	0	11717	7511	0	0	0	19274	17991	0	0	0	0	0	0	0	0	0	0	0	3960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4923	0	7470	0	0	0	0	0	0	0	17023	10304	2313	11241	0	0	0	0	0	0	0	0	0	0	0	0	4337	0	11459	0	0	0	12207	6497	4006	2684	3604	0	0	0	0	0	0	0	0	0	2654	6011	12878	0	0	0	0	0	4735	0	0	22764	Phytochemical	0.6666667	0.53333336	0.0
28	C15 H8 O10	349.019	349.01935	0.124382995	349.01907	6202	4862	4351	6190	11986	3816	2387	0	10570	0	0	2744	17061	13251	3364	0	0	26913	35748	0	0	0	5623	0	0	0	2281	0	0	0	9404	1854	4117	0	0	0	2207	877	0	0	0	2570	1187	0	0	0	0	1402	1974	0	4136	3873	10390	0	13338	5817	3945	1998	0	0	1824	0	32612	10638	2093	22548	3593	3349	0	0	0	0	0	0	0	0	0	1974	13744	0	18906	0	0	0	17388	3922	10150	5652	8161	6951	0	0	2896	0	0	0	4948	5593	3835	9931	11476	2312	1696	0	0	863	6142	2291	2989	25954	Phytochemical	0.6666667	0.53333336	0.0
4	C10 H12 O8 N4 S1	349.04486	349.0455	0.02629465	349.04486	12673	12948	12737	10528	3114	1538	3042	19570	3029	2738	0	7917	4815	0	13082	42885	6939	7397	9657	1743	1890	47454	18659	72512	33317	0	3376	0	2589	3330	6983	2685	2822	1777	3293	3226	2517	12534	7429	5375	7451	5646	0	0	0	20289	20093	0	7616	11695	13470	9857	3943	0	8334	2607	3390	31707	0	4433	35148	4091	1823	5750	3584	5288	4697	8983	0	0	0	5632	1728	1239	1841	3708	0	6651	33386	24306	25735	9277	3268	4185	4731	3391	28397	5085	4500	135201	30194	24128	154495	10644	20983	0	11993	12383	1750	2752	2497	3210	6845	7140	7317	31238	2467	0	46478	3219	Organosulfur	0.8	1.2	0.4
24	C16 H12 O9	349.05542	349.0558	0.15738362	349.05545	8096	6608	7263	7266	23446	11851	1557	1358	21792	2791	0	4011	44673	16430	6841	1224	0	37715	28984	0	2356	7616	8885	2720	2899	0	2848	0	0	0	1952	0	3068	1164	2623	0	3676	4311	0	0	0	3243	0	0	0	0	1727	2901	2288	1256	5983	6234	12965	0	31242	22122	10223	2224	0	0	3690	0	40808	28369	5887	27512	5425	2153	0	0	0	0	0	0	0	0	0	4270	15221	4115	14463	0	1182	0	36021	15012	9183	5830	9029	2982	2449	2775	9259	5496	4274	0	7581	5985	14463	23460	23987	3037	3000	1581	2918	3054	16233	0	4028	47197	Phytochemical	0.5625	0.75	0.0
16	C16 H12 O9	349.05542	349.0559	0.15062198	349.05545	40702	39794	38148	41133	107664	69247	20098	13035	113797	29225	29379	23201	185612	58791	35553	20648	17612	146320	141962	23344	35844	55662	48429	21975	16225	2309	13173	8095	9641	7208	13333	12210	29880	7164	40032	5132	34602	34363	18301	18539	27053	35492	2658	841	935	18375	23871	2375	8755	9766	39224	42767	81440	700	111728	97088	43151	27114	15595	18938	12923	15783	189661	108830	43597	152778	56247	17207	9667	6212	8746	8377	5552	3029	10389	5757	1285	17240	65645	43558	39307	21823	6601	6937	119361	61656	52489	48825	53806	28383	11457	23761	0	69327	40956	1280	43772	42876	81713	107691	132426	30793	20048	9368	15780	24793	87432	1043	17012	209175	Phytochemical	0.5625	0.75	0.0
28	C16 H12 O9	349.05542	349.05576	0.07188979	349.05542	8115	7875	8250	10405	17115	11758	3025	3713	18607	2983	1511	4362	34256	11978	8419	8487	3959	28285	22025	2358	1939	5553	11259	6999	6203	0	4435	1199	0	0	4659	2170	6174	2485	3661	0	5877	7333	3530	1298	2367	4541	1514	0	0	4719	2238	1956	5088	0	8874	8257	11846	0	21190	14125	5628	6893	2304	1913	5584	2240	25289	15363	6357	21301	7577	2491	0	1485	0	3387	1996	0	3005	3648	0	3758	17501	3511	18128	1745	2244	995	22782	11648	12905	5711	6763	4923	2537	1357	5553	6199	4556	0	10445	8924	9358	13821	18699	6899	3124	0	0	4938	10319	1362	6863	29780	Phytochemical	0.5625	0.75	0.0
14	C16 H12 O9	349.05542	349.0559	0.122671336	349.05545	51458	49988	42818	48652	117465	59856	13154	11465	113866	38225	45191	28500	186095	56474	33919	25543	17064	144141	121226	24492	43836	77316	43356	15618	11354	2258	14264	8888	8316	10114	11870	11953	28803	8633	57162	7348	30508	30599	19460	20039	31503	49509	0	419	483	17351	34084	1376	16377	7445	52345	53358	76763	371	126820	111620	54420	23032	12899	18524	20371	21547	197813	135380	49992	152077	53310	23642	0	8105	13820	9241	9080	3258	15729	10065	449	23394	61213	53333	50271	22284	9080	7390	128878	53513	51294	53942	60775	36319	10629	22893	30848	82554	61876	557	51809	53174	82563	152785	139101	27285	23553	13810	0	30657	82379	0	18568	203152	Phytochemical	0.5625	0.75	0.0
20	C16 H12 O9	349.05542	349.05585	0.13609935	349.05545	39916	32330	39782	31290	109876	59166	8740	0	97742	15398	8906	10940	190092	58684	21542	11766	6464	130264	114502	5902	10700	41801	27664	10520	6620	0	12048	7358	6880	2948	5904	3684	8748	0	18712	0	21048	15186	7724	11018	9522	18516	4070	1578	2376	7532	9748	7840	8792	4790	34042	26298	75354	2908	106432	83252	39300	14530	7620	8748	14924	9084	164588	97790	35240	124386	33294	6286	5090	5204	0	4180	3712	0	0	4550	3058	7684	67420	35248	39586	16838	3786	0	121572	62582	43742	24766	43312	13864	9386	6936	12568	44884	28910	2896	28530	20084	57594	111048	111884	15788	8704	7390	14194	8380	73394	3106	8246	180846	Phytochemical	0.5625	0.75	0.0
22	C16 H12 O9	349.05542	349.0559	0.19423382	349.05548	7379	8260	8658	8000	31048	22017	2052	1603	28883	4135	1838	3136	42681	19836	6900	3091	2081	46338	35632	0	4856	10299	11485	2387	3619	1749	2118	0	0	0	1924	0	3343	0	5770	1487	4039	7352	1685	2694	3575	4159	0	0	1767	1875	3262	0	2090	1840	11272	9862	19996	1338	36481	25840	15276	2691	1623	1143	1730	0	70043	38864	8563	43216	11083	0	2342	0	0	0	0	0	0	0	1905	3790	20513	12174	15927	4464	0	0	41442	23886	12459	10909	13872	11054	0	4010	6419	12554	10175	0	7512	10060	23530	44011	38468	4221	4053	0	4207	2840	24517	0	4270	67554	Phytochemical	0.5625	0.75	0.0
26	C16 H12 O9	349.05542	349.05573	0.015500376	349.05542	5268	6291	6696	8860	17985	11324	2859	0	15262	2665	0	5055	33921	12595	7967	0	0	37320	20852	0	0	4953	11561	7141	0	0	2090	0	0	0	3773	0	4406	0	3017	0	4398	7120	0	0	0	0	0	0	0	0	0	0	3652	0	5031	7835	13250	0	22555	13908	5762	5702	0	0	5323	0	32497	22460	3813	23270	5747	2839	0	0	0	2685	0	0	0	0	0	3949	16347	0	16745	0	0	0	24437	9858	8244	6474	6505	3504	1621	2008	7930	4397	5932	0	6023	6524	8489	14907	15410	0	4186	0	0	3794	10582	0	5405	32190	Phytochemical	0.5625	0.75	0.0
8	C16 H12 O9	349.05542	349.056	0.16451745	349.05548	8080	9471	7459	7465	19251	7845	2210	925	26451	10706	10716	3099	34304	7138	2403	1491	1749	18344	23823	2738	13131	17554	6681	1963	0	0	1796	0	0	706	3253	1260	3148	1066	12383	1180	3463	3113	2181	4578	9720	5836	0	0	0	2845	6538	0	2179	1139	9733	10181	11471	0	23175	26105	12962	2378	1325	2957	3770	3044	45863	28475	9804	28455	9008	2725	0	1654	1837	1326	1137	0	3038	1283	0	1587	8582	3839	7714	2792	583	0	28816	7207	5121	11279	9199	3953	0	0	3488	17755	8153	0	9969	5909	23946	44079	31320	3898	3470	0	0	2779	18276	0	1242	51944	Phytochemical	0.5625	0.75	0.0
10	C16 H12 O9	349.05542	349.05597	0.16301905	349.05545	23231	20111	23409	21689	45759	19892	2493	3955	54418	28366	26539	9567	84355	17259	8019	7448	6019	43586	47996	12576	26369	37353	16021	6245	1244	0	4491	3675	2835	1630	2737	3240	10156	3066	31321	1800	10050	9421	5517	8365	24792	16922	766	0	295	4873	17383	0	3943	2526	21521	25445	29226	0	46993	54036	20921	6995	6234	9874	0	8337	92053	58305	20437	63416	16408	9712	7777	4362	9290	2805	2649	1531	2106	2618	0	5674	19350	15336	13410	7935	1571	2234	56258	18052	17174	20305	19222	9608	0	5987	10731	47568	27915	0	18883	22262	48229	72226	69743	8921	5487	4462	0	8079	40315	0	2885	84826	Phytochemical	0.5625	0.75	0.0
12	C16 H12 O9	349.05542	349.05594	0.11301011	349.05545	37390	39159	37495	44214	79127	35818	11348	8721	88240	35089	40728	15402	124010	29310	14799	12173	13664	93859	96034	24399	34279	63202	28338	8998	3475	2335	11177	12556	8449	7403	7059	10432	22615	6721	52648	6619	16013	19397	14480	10182	37516	29598	1164	0	0	13865	37043	864	7430	8813	35298	42068	49069	421	95564	73712	39457	15977	10502	15705	0	17289	152772	95828	26944	108622	33948	13792	0	4486	14621	6278	4928	2013	9965	5545	427	12841	39674	25512	26483	17591	4847	5210	92828	35044	31892	34583	35560	29264	8000	20806	19462	81283	47883	520	38047	38127	75168	120185	100888	20268	14398	13787	0	17370	65316	0	9302	151326	Phytochemical	0.5625	0.75	0.0
10	C22 H13 O1 S1 Na1	349.06577	349.06604	-0.5651078	349.06555	0	0	0	0	0	0	0	9634	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6101	12687	5090	9663	0	8568	0	13926	0	0	0	0	0	0	0	0	0	0	0	0	4525	10021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10596	19064	22406	4419	14490	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.045454547	0.59090906	0.0
14	C15 H12 O8 N2	349.06665	349.06723	0.20591564	349.0667	6015	5514	5954	6814	9847	7363	3539	1724	16154	9851	7930	4329	21003	3600	4161	4503	4292	12164	11834	3699	7846	28249	4066	3941	1654	0	2148	0	0	1341	0	0	6192	0	22085	0	5597	4922	4413	12026	24624	8325	0	0	0	2902	12238	0	0	1359	9091	8676	8160	0	19456	7376	5981	2699	0	0	0	10455	33262	15270	5436	18046	8487	6036	0	0	4579	1012	1316	0	2335	1888	0	2111	7500	0	4035	4193	1874	2178	10304	6992	8184	8359	5192	12421	2707	5296	13383	24921	13928	0	8736	3884	5728	13591	11342	3408	2694	2652	0	6393	6842	0	1875	25298	Unclassified	0.53333336	0.8	0.13333334
12	C15 H12 O8 N2	349.06665	349.06717	0.15468794	349.06668	5515	3889	7241	9743	14923	5536	0	1710	15659	10175	8525	4653	27930	4243	3731	4712	7722	16880	15872	7233	17655	28107	5460	5627	2192	0	4486	0	1600	1720	2666	1717	4396	2266	18989	2635	5632	4175	6463	11302	29406	6237	0	0	0	3964	8632	0	1575	0	8233	7787	12833	0	20277	13316	5975	4823	0	7038	0	9960	37654	21538	4805	17068	7074	9704	0	1332	7016	0	1920	1140	3945	1307	0	2939	8737	0	6876	5338	2257	3652	14443	4536	6484	9856	10193	14810	3023	6938	12023	25415	10782	0	4228	6021	15164	16332	12375	4693	5551	0	0	7143	10329	0	3139	35211	Unclassified	0.53333336	0.8	0.13333334
10	C15 H12 O8 N2	349.06665	349.06717	0.077236235	349.06668	5738	6231	5954	5805	11999	4857	1823	0	15909	7099	10073	3464	23947	2799	1789	5254	2999	11625	13181	5524	11004	18469	5089	3569	1658	0	2978	0	0	0	0	0	3036	0	18949	0	4108	2672	2301	7691	16081	4400	0	0	0	0	6924	0	0	0	5000	7811	8543	0	18244	13214	4711	2848	0	5346	0	5797	27596	16164	4542	18612	5551	6032	0	0	6838	0	0	0	0	0	0	2149	5779	8613	2875	2799	797	1487	13634	4200	2735	6932	5457	8613	0	2725	6433	16925	8718	0	5967	4336	9084	15216	11319	4942	2658	2835	0	5122	6659	0	2760	28870	Unclassified	0.53333336	0.8	0.13333334
8	C15 H12 O8 N2	349.06665	349.06726	0.11762404	349.06668	2300	2871	1749	2892	5256	2096	639	0	10987	2930	3799	1012	12908	0	648	1996	1027	5870	6986	1231	4702	11449	3054	1552	1035	0	0	0	0	0	0	1040	997	859	8035	0	918	1951	840	3316	4780	2871	0	0	0	2561	2682	0	0	0	2469	3740	4293	0	9889	7407	2799	0	1813	979	0	1601	22284	12766	3291	9139	3009	1201	0	0	0	0	0	0	1196	0	0	645	1997	0	1517	1275	0	0	8290	0	3073	4626	2739	3483	0	0	3130	6447	3918	0	3026	1115	4873	12525	8155	1807	1248	0	0	2212	5437	0	0	14820	Unclassified	0.53333336	0.8	0.13333334
16	C15 H12 O8 N2	349.06665	349.0671	0.15732595	349.0667	7037	4631	5815	8389	10827	3144	1837	0	9919	9773	4819	3819	18039	3650	2457	5474	4061	9477	10236	0	9461	27421	6991	4604	2330	0	2680	1790	2425	0	2318	0	6939	1444	9490	1502	7210	3842	4266	9431	19648	5538	390	0	0	1959	7042	0	3842	1505	9799	8842	9685	0	10675	5765	5551	3587	2286	7025	0	9833	21347	12846	5090	10762	6030	6480	2432	0	5521	3445	0	0	4765	2086	0	2120	9677	12192	6151	2715	1098	2261	8898	3023	9792	8540	7454	0	0	3744	0	22385	16598	0	7817	7730	5321	11523	7107	2486	4308	1975	0	0	7173	0	3523	18718	Unclassified	0.53333336	0.8	0.13333334
16	C19 H12 O5 N2	349.0819	349.08276	-0.20218095	349.08182	0	1644	0	0	0	0	0	0	0	0	1722	0	0	0	0	0	0	1916	0	0	0	0	0	0	0	2059	0	0	0	0	0	0	0	0	0	0	0	0	0	1517	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5671	0	0	3403	0	0	0	0	0	0	0	0	4339	0	0	0	0	0	0	0	0	0	0	0	0	0	1692	0	0	0	0	0	0	0	0	1495	2207	0	0	0	0	0	0	0	0	0	203689	0	0	0	0	0	Phytochemical	0.2631579	0.6315789	0.10526316
6	C21 H16 O3 S1	349.0893	349.09003	0.3491293	349.08942	0	1242	0	0	1648	522	0	0	1449	1900	2684	893	1295	754	0	1307	939	861	1381	0	1039	0	812	0	0	1139	0	0	0	0	0	0	0	0	1465	0	0	726	0	0	0	0	0	0	0	0	0	0	0	0	1105	0	1432	0	0	1456	1121	1425	1888	1965	0	1662	1965	0	0	1015	1152	0	0	0	0	1098	0	0	39626	0	0	0	501	0	885	1166	894	0	1239	0	0	1344	611	0	0	0	0	1468	1421	0	1622	847	1357	2267	1217	0	764	2031	0	0	1521	0	774	1017	Organosulfur	0.14285715	0.7619048	0.0
20	C17 H16 O8	349.0918	349.09222	0.10157297	349.09183	93285	94161	94879	68337	145324	98686	36212	45072	156496	141182	64364	40512	255757	84829	64227	49755	29780	199695	176539	102804	125281	119255	66716	66406	48949	70878	29488	54282	44575	30653	35282	35411	67399	39793	156402	27316	64014	49276	30600	90619	78110	53599	7600	3055	3703	84130	84464	4974	44294	32284	94850	95336	108132	3209	167695	129114	67714	65144	41317	30649	56639	59864	236180	150767	54481	181015	74461	34244	81565	91185	110113	35804	35627	26897	26290	35293	4042	42670	98757	79610	73412	63870	36773	57575	165953	90792	76854	61848	73145	41848	64980	70312	77557	105006	98585	5867	90529	94966	103800	145226	141401	54691	39051	54413	59806	48570	105189	3806	46580	259892	Phytochemical	0.47058824	0.9411765	0.0
24	C17 H16 O8	349.0918	349.0922	0.09785698	349.09183	20643	20355	20428	18184	44990	23894	7264	5306	36653	38339	13816	8657	78369	20299	13871	7984	6531	46434	39834	13753	23102	35127	16281	8468	9911	9924	6061	7023	4633	4393	5236	4159	11934	4335	36890	5200	9743	8638	8725	14191	15136	7142	3594	0	0	17603	15589	3104	9370	5513	18405	18137	30614	0	51344	44785	12144	9637	6472	4737	7941	13233	65819	41789	10459	51348	13475	6823	15007	20071	23301	6237	5645	4058	4130	4017	0	7981	25716	22902	22876	12990	5206	7863	49337	21742	17926	10372	11798	7085	9096	7806	9803	29865	40193	2285	15502	19239	26898	44943	39424	10392	6937	6850	11974	8060	33076	0	8354	63903	Phytochemical	0.47058824	0.9411765	0.0
6	C17 H16 O8	349.0918	349.0924	0.114493474	349.09183	33553	32438	27205	32865	34508	19106	12820	22652	49236	65345	58118	19455	50786	18035	17660	26260	25338	44002	44615	44185	57101	38764	25789	27150	7281	22973	10894	24849	16728	17332	18305	19350	24625	16205	68290	17280	19940	19224	26783	28250	49433	21009	1354	591	1412	22571	37850	775	20674	17292	30010	33208	24824	932	50378	38133	20459	26245	15850	25016	26890	23550	55690	42025	17077	38038	26323	28995	49791	44955	87950	16749	16047	13197	10462	19419	993	13853	28322	18100	24831	17586	12510	10515	46951	20441	31087	23594	24508	32650	12942	18297	28147	34116	33608	1658	35452	30649	36070	55016	49601	24218	18994	22064	21025	22644	36217	800	12943	56653	Phytochemical	0.47058824	0.9411765	0.0
28	C17 H16 O8	349.0918	349.09222	0.06250122	349.09183	11557	10673	12513	10569	16241	11814	6505	4650	19643	19614	6852	4993	32913	12578	7040	7477	5343	19576	21246	13492	15532	15592	9261	10605	6448	7258	5149	6197	3412	5045	4562	4620	6873	3549	18909	4918	6770	5318	4131	10076	10651	8909	3691	1778	3228	9797	13680	2658	6535	3350	13402	10496	10835	0	19449	15522	7826	6880	3930	4551	7123	8588	26525	15880	6699	23533	9542	6355	9331	14566	15616	5102	4411	4233	5978	4928	0	4848	12084	14251	12549	8256	5079	7243	20300	9571	11290	8279	8766	5740	5576	8073	9647	10636	19741	2474	11353	12953	13410	17857	20012	6956	5611	6009	9758	6797	14284	1956	5493	26160	Phytochemical	0.47058824	0.9411765	0.0
22	C17 H16 O8	349.0918	349.09222	0.090550646	349.09183	39480	37957	32521	38954	60713	48741	15216	14483	79339	57847	30047	11495	102540	33705	25154	16660	14578	86414	61885	40144	38629	61522	31846	24340	21902	24789	11519	23201	17013	9822	11598	11084	22677	13553	53721	10338	26896	22776	14330	34532	27919	18620	6044	0	3879	32825	34091	4098	14481	12483	38609	36091	46775	3523	82883	71438	30995	21721	18453	9428	15447	25595	119312	71356	20642	76532	34566	13941	32492	43077	49302	14473	8728	7283	8678	9977	3275	14465	39665	38895	42099	30270	14064	24231	82383	42361	41500	23344	34457	17902	23152	22614	24149	60837	71810	3078	31548	38889	52446	74918	75341	21728	14990	17776	29025	23481	54118	0	21846	124014	Phytochemical	0.47058824	0.9411765	0.0
26	C17 H16 O8	349.0918	349.0922	0.08770753	349.09183	13768	11440	12742	14071	23832	14949	2397	0	21263	23045	5648	5914	50547	15109	7336	0	0	37236	26996	10875	16760	27313	9871	8360	0	6133	3570	6897	5648	0	2880	0	8513	2720	21467	0	8758	5813	4609	14853	11134	8082	0	0	0	10219	11112	0	4560	0	10138	10178	14992	0	37881	26185	9345	6283	6178	4013	6925	7355	45565	26317	6622	26684	9240	4710	9195	13962	15729	3442	3308	0	0	4316	0	5088	13370	11406	14374	9579	5037	6429	30271	15863	11043	9207	9720	5160	7650	8188	5803	15391	32843	0	13346	16378	18468	26242	24236	7467	5362	5106	7373	5714	14632	0	5185	47197	Phytochemical	0.47058824	0.9411765	0.0
6	C20 H16 O2 N2 S1	349.10052	349.101	0.5107172	349.1007	0	1175	0	0	665	0	0	733	1243	0	0	1040	566	0	0	0	0	0	0	0	0	0	923	0	0	0	866	0	0	0	754	0	1069	0	0	0	0	640	1773	0	1336	0	0	0	0	0	0	0	0	924	981	0	0	0	0	0	1309	0	1949	2091	0	0	0	0	0	0	1518	0	0	0	0	0	1203	0	51989	911	0	727	935	0	0	441	576	0	0	0	0	1050	529	950	0	0	0	0	0	0	0	0	0	495	590	0	825	0	0	0	0	0	570	946	Organosulfur	0.1	0.8	0.1
18	C16 H16 O7 N2	349.10303	349.1035	0.13906132	349.1031	35288	44637	42769	43819	44523	35881	49866	34081	30701	63635	36702	34929	44069	22348	33859	43650	78432	51938	51071	39138	51964	65426	50657	54618	31016	42591	51450	30533	27550	24106	33557	30572	78699	25082	52805	27248	61610	34503	77371	38173	47251	37758	1405	739	770	30049	24954	593	48366	29990	41674	43285	45253	1160	33333	33318	28075	48264	21083	25541	40381	36584	47979	37590	23987	49962	40726	83080	42360	46909	73952	24044	20448	12628	32767	26326	361	29412	58702	52309	52058	28611	17901	25177	39709	28934	49112	59543	43920	63920	28909	43978	69544	44509	62574	755	46072	37584	29484	33867	37879	64191	28231	32647	15789	58257	29109	0	47776	48590	Phytochemical	0.4375	1.0	0.125
4	C16 H16 O7 N2	349.10303	349.10367	0.033376683	349.10303	14227	15820	14186	14726	14216	8695	4491	9394	20943	19351	16275	9518	25507	6981	7216	12310	14416	19960	20364	16713	25348	27060	11777	12700	4424	5377	5861	4277	6670	6128	7996	8312	12765	5759	27552	6739	11809	8477	19946	13922	28934	10543	0	0	0	13264	23690	0	12024	9645	15523	13298	11517	0	21472	19191	9213	12683	7986	13303	11894	13625	33564	18984	7882	19088	9205	16312	15256	8620	17703	7944	6714	7161	5085	7028	0	6489	10840	6770	9319	8191	5741	5947	24828	10527	8270	11699	12435	21520	5981	8046	21553	18552	14831	0	13208	15223	15183	25211	22276	12158	6756	11849	11369	12872	14536	0	4967	34080	Phytochemical	0.4375	1.0	0.125
10	C16 H16 O7 N2	349.10303	349.10358	0.0996916	349.10306	141683	135890	124137	121435	125043	75963	67399	106753	130445	206994	138722	88310	179739	52931	75256	114531	127201	152444	177950	163929	217202	271600	105513	127009	52524	61552	74515	78692	74411	76272	79839	88392	140146	75962	258383	77346	134025	77187	146966	203333	275511	76458	1914	0	351	126787	194367	0	102958	82334	139519	138791	107808	0	166686	97806	65351	127171	99348	120227	117351	149745	198169	136527	63326	148943	88978	168787	155062	132899	204395	85430	69173	53859	84361	74402	0	64899	133577	110755	102997	102832	66587	77955	141122	71975	121909	108655	92349	201392	94494	128001	210516	181069	195083	468	138164	130530	91137	132118	107502	127733	77487	117290	102508	126278	96219	0	86495	227803	Phytochemical	0.4375	1.0	0.125
20	C16 H16 O7 N2	349.10303	349.10352	0.17113425	349.1031	7262	9237	11882	10650	14274	7691	9418	3867	7579	19088	5111	5120	13709	8035	7943	7596	8718	12071	11179	3302	13096	23083	7860	11621	7218	0	3764	4034	4061	4256	3359	6687	9185	5971	7227	3095	13276	6708	9501	14393	17718	7398	956	0	667	5602	9197	515	7747	3839	10607	6594	10214	592	8979	6181	9106	9363	4206	7974	4636	12195	18159	10394	4270	12526	7585	7461	1547	5409	6057	5608	3609	2390	3507	2613	516	4955	13222	18873	10446	3346	5389	0	12414	4335	13147	8814	6591	18694	5900	15299	14156	18354	15900	0	6981	7847	9150	8107	14014	10619	7655	7074	5295	10884	6030	0	7425	19131	Phytochemical	0.4375	1.0	0.125
14	C16 H16 O7 N2	349.10303	349.10355	0.11268548	349.10306	98675	100111	87632	94488	97465	78384	62494	63504	92616	155775	85921	57192	128564	53291	68748	94271	92192	120079	109399	97207	128301	211477	81357	101755	73500	44840	69998	64961	61579	53588	58064	56290	115087	54069	202259	49841	102397	66100	120426	139094	154704	66381	0	399	429	89000	111192	0	75383	53600	106640	81697	86601	477	102788	70399	56366	88509	80360	71021	98162	102113	131250	100598	50438	107202	73235	105831	71380	97511	116486	55745	43892	33076	56321	44050	249	57532	102433	94231	89750	69808	50992	59885	88901	58105	102976	94671	73676	171275	80801	107421	188954	135831	138619	950	107045	93667	57976	89811	87899	84882	61172	81272	71876	116158	67654	0	72148	146322	Phytochemical	0.4375	1.0	0.125
24	C21 H16 O5	349.10706	349.10748	0.09408382	349.1071	4035	3572	3710	3044	1273	2211	0	1711	2275	6866	13910	2114	4436	1288	1384	2309	2901	5663	4547	3869	6431	6670	2108	1240	1669	19217	0	10565	1769	1691	0	1952	1714	0	10680	0	1650	1213	1863	5285	9803	1802	0	0	0	3424	9371	0	0	0	3623	3237	4373	0	1176	4208	2200	0	1385	1618	0	5613	2843	2566	2166	3622	5614	2563	28171	15062	26965	1324	1259	0	1690	1012	0	1284	4099	7404	3239	5182	1724	8318	4531	3004	2088	2981	2513	2400	1365	1972	1968	9873	7980	0	2427	4623	4377	2311	1761	1432	815	1845	4979	2232	4142	0	1050	2986	Phytochemical	0.23809524	0.7619048	0.0
20	C21 H16 O5	349.10706	349.10748	0.13805188	349.1071	10559	10222	13971	7413	9217	4357	3866	3669	7392	20741	31800	5180	8408	7051	5491	3873	5999	9763	7801	16230	18308	13977	3858	5651	3584	77412	2812	20086	4314	4650	1648	2268	4629	1233	24807	1989	4063	4910	3602	15948	25250	3444	536	0	0	13240	10678	0	2398	1744	8252	8837	2823	0	6030	6265	6036	5254	5304	5833	4656	8581	6240	5706	5780	11973	9666	4197	56517	50414	78670	3667	1609	1818	2511	2356	0	2921	7456	16952	5219	10825	4510	13985	7608	4049	8883	7027	4593	4467	5975	4144	7143	18785	16100	0	9427	8206	8506	4486	6665	6535	2786	5260	12684	5895	7100	0	3840	4503	Phytochemical	0.23809524	0.7619048	0.0
22	C21 H16 O5	349.10706	349.10748	0.102835245	349.1071	8722	9680	7639	10719	8963	3908	4367	2745	8338	16821	26707	3885	5833	7222	4201	6268	7212	10520	9201	19531	19370	13985	7890	4003	4533	59829	4497	22995	1793	4725	2310	0	5722	3087	27812	2510	3508	3115	7933	13188	22969	6397	0	0	353	10928	13275	0	2815	3497	9916	8324	11599	367	5624	8613	6080	5595	3475	7823	4457	10929	8408	7197	5887	9493	12977	6144	57103	41671	62930	2324	4172	1199	1932	6236	0	2745	8375	17130	6459	11866	4048	16099	7880	10728	8636	7930	5652	5794	7118	7106	6678	20934	13683	0	6883	9257	12679	7831	5280	4361	2905	6771	9453	4471	8105	0	4257	6043	Phytochemical	0.23809524	0.7619048	0.0
18	C21 H16 O5	349.10706	349.1075	0.06615908	349.1071	4831	6904	4464	3910	7475	2462	2139	2407	3214	16876	15913	1823	3746	4567	2925	5108	5049	6358	6168	15619	15404	4968	5180	6213	2992	34760	2015	14378	0	1907	0	3341	1656	0	12255	3391	0	2258	2661	6738	10546	4258	0	0	0	4589	5475	0	0	2444	4490	3757	2988	0	3391	4084	2811	3956	2302	4748	4254	7180	5313	3786	1997	5070	2968	2922	29915	29429	43287	2645	1617	1335	1704	4708	0	0	6320	9970	4362	8528	2058	6181	4902	2372	4084	3514	6398	4800	3959	5768	4891	4565	10706	0	5609	5642	5939	5923	2960	4336	1376	5326	3566	2613	4598	0	2135	2362	Phytochemical	0.23809524	0.7619048	0.0
0	C18 H20 O5 S1	349.1104	349.11124	0.36874735	349.11057	41574	45832	42631	35796	7009	0	0	6457	0	4446	1275	3167	2828	0	1260	28725	0	3092	4354	2071	0	1833	1349	22147	0	0	0	0	1682	29344	3199	24953	0	164785	0	23764	12389	0	0	0	0	2097	0	0	0	2900	0	0	31218	34520	33102	38997	2504	0	0	0	0	7992	0	0	55539	0	0	0	0	12306	0	0	0	0	0	183956	89214	41033	2100	23647	0	1859	0	0	0	0	0	0	0	0	717	90248	3833	0	30406	15494	3995	0	0	0	37900	43157	0	0	0	12850	2278	5257	0	4844	0	0	0	1659	Organosulfur	0.2777778	1.1111112	0.0
22	C18 H20 O7	349.12817	349.1286	0.098215945	349.1282	177909	187024	162691	174722	206055	169439	84238	149266	217265	267459	141633	101896	271902	126649	143773	134563	105781	289308	206747	267232	247292	185752	161981	178541	136867	215590	74974	122899	139297	111431	127948	130616	168611	124936	281607	121278	169376	111873	109483	205520	165242	96807	21494	13819	16600	156444	145941	15021	134057	123037	164650	168687	152686	14671	258421	202614	119180	145587	113780	83351	140215	151983	293248	200008	90752	252266	132751	101346	213317	343044	304542	132683	112921	116339	69223	127595	16047	111191	176123	103653	159992	118401	96771	130127	224572	131620	170646	120780	134278	115754	156386	156944	167814	127453	173619	17867	154834	178125	161467	222150	200140	153946	105966	142580	105645	143079	149009	16163	111271	322890	Phytochemical	0.3888889	1.1111112	0.0
28	C18 H20 O7	349.12817	349.1286	0.0690958	349.1282	29999	28444	24132	28516	37804	25415	17266	29530	29093	44986	22622	14306	62437	24879	30772	27959	27039	46447	45097	52583	52104	34339	34299	35265	22193	39975	16634	28641	29198	29675	20798	20928	29657	24872	53442	27069	24171	17498	20121	34730	34725	26278	9615	7549	19865	33387	29249	9300	26324	29171	29543	28218	29051	17738	43235	41438	20675	26773	15991	13094	32241	21158	43040	33316	19250	44659	20615	22040	73205	86264	104451	21769	20375	21397	22949	23118	18754	19714	26108	25479	22304	21174	19211	25052	35034	21858	26632	22332	20902	19351	26380	26602	29113	18854	35786	8641	28151	38676	21509	37086	41436	28290	23002	29664	24128	21729	22157	7742	18783	41485	Phytochemical	0.3888889	1.1111112	0.0
6	C18 H20 O7	349.12817	349.12872	0.11375673	349.1282	128548	129132	96878	107382	59534	55364	82402	128480	93656	72509	114308	94198	82290	55480	96800	70466	58899	45228	51966	77936	93679	156352	117500	155688	63990	69309	79368	34554	112300	131074	115768	126454	57081	86358	166422	122868	113812	93288	138574	104336	151660	74968	8008	4567	7281	127954	169290	5456	140726	123380	115748	118192	71234	5783	111096	82440	66704	129760	107476	131182	139014	46040	48090	79496	54766	70444	69538	153302	87649	160544	248638	102692	110172	107752	60552	122226	5982	80470	113344	26863	120754	108558	101884	75892	90298	36087	56110	62382	42893	142624	41229	99498	121868	45325	115094	7549	60873	121994	70874	81584	102156	121940	103734	132300	58634	103216	36970	4871	42117	89934	Phytochemical	0.3888889	1.1111112	0.0
2	C17 H20 O6 N2	349.1394	349.1401	0.06790318	349.13943	39214	37304	29822	34031	32554	35718	23001	35683	36023	41275	38177	31827	55009	18202	28334	13941	42466	45020	44661	39599	78801	52770	34134	31868	15266	20872	9133	29283	33517	22045	33045	30333	54067	33311	64084	29208	38719	25666	47582	39721	69890	27777	355	355	426	26988	45480	0	33781	24402	37514	38271	30467	338	48239	25046	17580	34913	19865	36812	16968	28244	54748	48410	18509	52363	33343	58364	36280	39100	54311	28898	31901	26359	12382	29360	325	24982	42443	27475	31151	26142	21249	20160	34473	20487	36270	34602	32544	67975	26119	41105	56324	42998	21141	807	38827	34870	29314	35410	37328	29043	28473	31528	26726	37973	27571	342	27658	56067	Phytochemical	0.3529412	1.1764706	0.11764706
12	C17 H20 O6 N2	349.1394	349.1399	-0.03665894	349.1394	383036	430992	419422	409809	295781	227050	420691	505563	259724	456373	265490	265169	231509	131435	373615	414420	365462	334436	424857	547852	550768	657838	361578	519184	380447	241915	351735	266236	473936	392792	453923	474473	630167	419612	620703	422692	603596	383007	420766	544134	515984	240747	5073	918	1053	444381	392376	1020	546052	414518	416780	406492	290585	1491	317628	180700	188315	511067	395302	296659	427824	361281	276967	232417	136489	315375	248523	446103	262243	524283	464995	450042	422358	398974	298638	395774	759	321954	370533	249017	349646	288816	332874	298369	206738	187320	411105	275939	282658	582744	349590	480505	757513	305999	383459	2073	447185	448020	207013	214080	244457	558056	281776	395131	252012	524352	225328	648	382167	365376	Phytochemical	0.3529412	1.1764706	0.11764706
4	C17 H20 O6 N2	349.1394	349.14005	0.05215141	349.13943	89364	102439	93818	92546	67836	54656	47753	87984	78633	132547	75036	54530	106327	42316	67560	93188	124462	97420	110798	149102	162626	154718	84619	100858	51358	69334	52481	52829	66289	61727	68677	67654	105828	63504	191701	75983	100004	64469	159105	132112	178130	64289	1195	435	536	113689	183511	388	86398	76012	92473	78005	64943	519	104523	61629	43197	82725	66251	103375	83944	89313	98572	84524	40993	82470	57852	119198	101374	101731	139026	60196	55262	66671	44891	59783	395	58848	81280	71974	71181	79182	62378	57742	80517	55993	73634	65759	66078	108878	84445	90041	141285	90927	125131	1393	84091	100953	58683	78151	77845	95797	55813	130214	81417	84688	60054	600	52974	116757	Phytochemical	0.3529412	1.1764706	0.11764706
6	C17 H20 O6 N2	349.1394	349.14	0.061082397	349.13943	281403	320436	275930	287003	176006	158196	223644	304616	189612	439356	233417	177143	233116	105269	262171	329669	221081	270452	329617	420743	502679	433645	246900	352869	181837	147450	207623	179548	287175	244356	281741	311195	440935	282846	541827	266537	402541	238943	292838	303894	453166	159837	2160	489	466	334171	408558	460	340312	243603	311939	297163	193166	920	230387	125333	123887	308853	178698	249070	316504	235370	226672	175747	99097	213839	197487	290113	199797	326745	396247	268205	251685	230172	132931	231744	224	186364	220282	164853	204427	194110	175198	181338	136481	164062	234475	206592	217185	360816	217631	278035	469731	261246	380009	1083	287564	261538	104576	136016	166168	371081	191486	336876	184681	313878	132523	356	202714	288113	Phytochemical	0.3529412	1.1764706	0.11764706
18	C17 H20 O6 N2	349.1394	349.13983	0.03719318	349.13943	66078	60199	54951	63037	49149	52331	66561	64069	37402	53026	44945	40801	64594	35120	59276	70769	52923	73167	69162	57837	60619	84587	59677	79661	57143	30810	56961	51321	68414	48567	63123	64249	84723	68731	62397	53376	98442	49198	61788	65911	71651	42758	2248	957	1236	42940	40662	1018	67504	54890	59997	58123	51510	1612	57094	34392	32028	93466	40828	32495	70414	44133	45618	47170	29390	69699	53031	70701	34374	55283	58750	65796	43147	39091	46051	52705	593	41311	75937	51215	55798	38019	39261	36982	38955	35429	75623	61165	49855	98197	60712	74740	121638	45646	58995	825	72499	57181	36395	47459	47462	82967	36272	57100	23214	72072	39096	1024	68810	76071	Phytochemical	0.3529412	1.1764706	0.11764706
22	C22 H20 O4	349.14343	349.14386	0.111530386	349.14346	20540	27315	19096	24243	17342	12150	8556	15290	21920	29754	50130	11915	12493	14993	12397	15727	15478	23415	23403	44317	41787	27891	15310	22556	15781	122449	7122	40801	12677	12616	14614	12460	11802	11009	34408	12413	17835	10729	14821	37056	51820	17324	0	0	0	24961	28555	0	14219	14189	18410	20803	21836	517	15606	14331	14405	15687	10837	17174	17212	24987	18929	15896	11807	25845	28435	18250	93320	95211	126658	12199	12562	8239	9612	12844	0	11050	21187	21772	22184	19545	13996	28429	20536	17566	19201	16908	12572	13629	13912	17603	26738	24396	25080	0	16980	22914	19324	20248	19003	21611	8579	20266	16043	18740	18970	0	14151	14583	Phytochemical	0.18181819	0.90909094	0.0
16	C22 H20 O4	349.14343	349.14386	-0.063499406	349.1434	141184	148727	139307	161552	107280	126816	146948	147465	92289	144307	102392	97342	120838	61783	147165	169776	142339	161237	158242	156845	145024	192803	139146	200344	146003	91559	135237	102742	137156	127311	152266	163011	206596	134663	175347	147338	228979	123558	151734	169382	158936	89933	2144	1265	1294	120527	103995	968	175609	131821	151610	156086	110404	1552	82922	70222	78297	193629	114659	96698	156659	109190	97952	79689	64745	128074	111617	151795	99849	160862	156780	143930	123233	112252	118162	123064	972	97160	157358	125042	126955	91756	107352	109215	92944	86517	148255	115674	111610	203493	166804	190013	322602	115924	165973	1881	136565	150986	75278	78451	88112	183538	95961	134469	53563	202248	86755	1147	160981	147307	Phytochemical	0.18181819	0.90909094	0.0
24	C22 H20 O4	349.14343	349.14386	0.107362956	349.14346	19187	15047	16642	15377	16313	7442	5311	7405	11415	20175	35674	6060	13700	11881	9269	12265	8452	13984	18899	24972	31953	15100	12369	11097	11294	99338	3917	40181	5228	7948	7524	7037	10088	6370	29062	8865	6668	5585	7709	24345	36109	12941	0	0	0	19156	20929	0	9619	8703	16008	14395	16056	0	10892	8375	9784	12565	8803	14416	11554	21843	9413	10391	9021	25333	22332	12234	95890	52698	92480	9523	6905	6021	3535	5955	0	6836	13746	14309	11013	16084	6892	24165	20843	11570	12499	11341	13398	12090	11692	10065	13754	22933	20324	0	12981	12891	16157	10986	14310	9743	5356	19586	10580	9202	15216	0	9349	13072	Phytochemical	0.18181819	0.90909094	0.0
18	C22 H20 O4	349.14343	349.1439	0.06317722	349.14346	8880	10283	13150	9122	6891	3477	5267	9599	4743	12989	10318	6889	4560	7854	6851	10320	12225	7200	12142	16442	6109	7615	7860	13293	4870	31726	5418	9238	7633	9908	10309	6664	11384	6275	6971	7469	7756	6989	12621	11336	14281	4510	0	0	0	8762	11502	0	10759	6198	11947	11101	9770	0	4325	3741	10372	8509	7043	8287	9638	9082	4316	4806	4935	9926	11735	18744	28158	32805	45119	8072	3195	10504	7628	14925	0	5918	19620	9554	9761	7924	3932	9470	9091	5410	14353	6560	7485	16078	8250	10535	14453	7581	7573	0	10122	9722	8172	6684	5757	8624	6773	11184	4440	7254	6753	0	8180	4797	Phytochemical	0.18181819	0.90909094	0.0
26	C22 H20 O4	349.14343	349.1437	0.14492074	349.1435	3390	3673	4217	3429	3730	2296	0	0	4412	6697	9543	0	6297	4093	0	0	0	0	0	0	6380	3896	0	0	0	20091	0	10420	0	0	0	0	1917	0	5104	0	2467	3036	3593	8819	13005	0	0	0	0	0	0	0	0	0	3642	3071	4294	0	0	0	0	1767	0	3364	0	4964	4063	3757	0	5867	7370	2817	22659	6825	21984	0	0	0	0	2493	0	0	5229	0	3502	4088	3123	6759	0	0	5253	6237	2474	2628	2570	0	0	5072	0	0	3529	0	2779	5155	0	0	0	0	0	1799	0	0	3249	3642	Phytochemical	0.18181819	0.90909094	0.0
26	C19 H24 O4 S1	349.14682	349.14722	0.24832405	349.14688	6805	5690	6878	5191	6802	3654	1498	0	5984	16438	15405	0	3825	2933	0	0	0	0	4341	20727	22207	12842	0	0	0	26735	0	20091	0	0	0	0	3058	0	18778	0	2440	0	3839	16711	21029	0	0	0	0	7998	8030	0	2422	0	7532	6166	4115	0	0	0	0	2960	6260	5747	0	14976	0	0	0	6813	5944	4521	25427	23589	28944	0	0	0	0	0	0	0	3719	14050	0	5915	7703	16264	0	0	2399	2953	2817	3193	15778	20377	0	15881	17034	0	6373	5965	6456	5447	0	0	0	5888	0	3357	5816	0	0	3357	Organosulfur	0.21052632	1.2631578	0.0
6	C16 H20 O5 N4	349.15063	349.1512	-0.1071832	349.1506	10501	11602	11534	11140	5012	5226	11058	14444	3963	8616	5271	8995	4840	3796	12999	15160	12126	6539	7116	10193	9609	19607	9464	17695	10894	2495	8007	0	11298	9072	0	11783	13575	8845	11731	11766	15234	11532	15349	12071	13125	6376	0	0	0	9249	10642	0	12974	10922	10049	11579	6352	0	7557	2570	4563	0	7488	8034	18619	5647	6285	6697	2929	6322	5266	14321	2419	6297	6635	11778	9144	8999	7647	7638	0	7846	9395	5828	10415	5232	8090	6528	4767	4369	12447	8598	6552	25785	13940	14155	27538	6399	7435	0	11937	0	2842	1977	3157	15714	10097	13990	0	14667	4830	0	10567	6710	Peptide	0.3125	1.25	0.25
16	C16 H25 O3 N2 S1 Na1	349.15564	349.1561	0.039701436	349.15564	9310	5943	5664	4479	7412	4663	3287	8607	4380	12745	5845	5320	8026	4157	5134	8077	6454	6704	6532	17289	15373	8786	4835	7192	3221	19986	4550	8064	5146	6693	4000	6774	5394	4608	11850	7408	8264	5695	3511	7684	10325	5008	0	0	0	5688	4571	0	7746	7235	10534	8785	4901	0	4748	3144	4077	6421	3111	5094	0	5396	4999	6209	3168	7698	2004	6273	21758	23767	28082	9025	8794	4504	6086	5431	0	6311	6503	0	4504	4840	6296	6173	5525	2923	7876	4382	4275	0	0	6727	0	4320	7821	0	6663	5392	4036	4017	5156	8105	5111	7563	0	0	4905	0	6276	7610	Organosulfur	0.1875	1.5625	0.125
18	C16 H25 O3 N2 S1 Na1	349.15564	349.1561	0.06326707	349.15567	6590	7407	10316	6867	6089	7115	5048	6461	4490	13505	6554	3966	9041	3708	4715	12128	4620	10203	0	15483	16659	7513	4532	12118	0	21449	3376	5233	7243	5712	6315	12321	10627	5849	12814	7234	8110	5155	5115	9103	7505	4905	0	0	0	4939	4655	0	7753	6883	7712	6520	4589	0	6925	5675	5052	7304	4384	4345	6030	6988	10039	5527	3014	7006	6398	4651	20342	28853	23148	7300	5441	7087	6046	0	0	3729	5651	3704	6655	5153	5093	9288	4232	4375	5369	5069	5269	3519	6300	9976	12327	4434	7269	0	5134	8227	4688	4970	5845	8540	4695	5951	0	6541	4219	0	8472	8286	Organosulfur	0.1875	1.5625	0.125
10	C14 H24 O8 N2	349.16055	349.16113	0.17015965	349.1606	1659	0	0	0	1033	1595	0	0	1336	0	0	1119	0	0	2764	3881	2193	0	1496	0	0	0	1231	1778	2587	0	0	0	1344	1371	0	5543	0	2889	0	1399	1562	0	1599	0	0	1074	0	0	0	0	0	0	1239	0	0	2913	1260	0	1255	767	0	3314	0	0	0	1295	0	1926	0	1478	0	2705	0	0	3047	2780	0	0	8465	1243	0	1879	1805	38262	0	1211	1338	0	0	679	2088	0	0	1510	0	3587	2208	6770	7127	0	0	1526	0	1627	1330	0	1006	0	0	1915	1447	0	1397	2163	Peptide	0.5714286	1.7142857	0.14285715
12	C14 H24 O8 N2	349.16055	349.16098	0.17323855	349.1606	3035	3709	3643	5226	1824	2148	0	9752	1391	4777	2552	0	1274	1084	4974	0	0	2549	0	0	1291	0	0	0	5849	0	2852	65545	0	1551	1886	8052	8112	0	2159	7271	3562	7144	2219	4760	4472	3871	0	0	0	6985	4790	0	3787	0	0	0	4872	0	0	2486	1094	9544	5612	0	0	3179	4199	1870	1535	5612	3035	0	0	0	8209	7928	6989	5995	1655	3358	0	2320	7690	0	5118	4823	7239	4242	0	1287	3210	5771	1234	0	7632	7042	2226	0	4699	0	0	3057	0	3561	2418	8985	1242	0	0	2613	4623	0	0	1497	Peptide	0.5714286	1.7142857	0.14285715
16	C14 H24 O8 N2	349.16055	349.16095	0.654606	349.16077	0	0	0	0	0	0	0	0	0	0	0	0	0	37928	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2278	0	9581	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3125	0	0	0	1276	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5714286	1.7142857	0.14285715
2	C14 H24 O8 N2	349.16055	349.1612	0.023913106	349.16055	11764	10511	10279	12404	12364	28010	5534	15350	8010	2559	2674	7622	19740	9153	6444	5530	6237	20217	14933	2308	3275	8841	7379	15830	4688	0	0	0	21575	8849	16324	17004	25940	32343	3006	13491	22093	4798	6480	782	0	7866	0	0	0	4535	1180	0	16300	8604	12223	11481	11590	0	9580	4913	3399	16907	2198	0	10411	0	14276	9927	4337	20787	15256	7108	0	1403	0	41202	26644	9839	982	9546	0	8776	4965	4059	4801	0	0	0	5556	5081	4774	27428	16391	9466	20198	14261	18033	1105	0	0	11371	10826	4818	3885	3802	13332	7362	3198	0	18580	6505	0	4155	24449	Peptide	0.5714286	1.7142857	0.14285715
28	C19 H24 O6	349.16455	349.16498	0.028852075	349.16458	46908	43286	40911	39283	48426	33673	29330	50921	35285	53159	28824	25151	71944	39559	41297	52600	41941	57766	61908	66825	60199	44314	49806	53758	34061	56664	27315	37639	48804	51044	43506	43673	56622	40328	54680	54016	53506	28844	40380	40129	39082	36991	11634	6825	15705	38435	30558	9280	48031	51437	44905	41928	43324	14074	52106	47768	25003	57441	31796	22901	60700	24688	55094	42210	22723	60604	41441	41777	53602	81851	72541	43711	41764	47110	36868	43345	12764	30092	43504	27772	36363	23515	33268	33198	42533	28398	48890	37611	38409	40218	48931	48809	60299	24959	36152	9704	48807	50224	33833	62125	65503	57452	38235	44685	22048	46290	25783	7081	29592	47251	Phytochemical	0.31578946	1.2631578	0.0
26	C19 H24 O6	349.16455	349.165	0.086100146	349.16458	92254	92876	84756	88517	101484	73007	48461	95474	92883	102153	52269	64465	174026	78918	86467	114659	80061	128886	138170	128010	139656	89805	93737	108803	63653	98457	43868	57438	91145	83445	79938	85724	104006	86099	110992	93728	105744	67883	84659	89321	78917	71294	11730	11605	21333	75279	65000	13099	97663	91178	102354	83067	79279	14736	120297	106178	58633	111805	61075	48595	109257	50491	125049	98953	38254	130407	71766	80695	102735	149772	143642	87981	88765	83408	73833	86583	13632	65672	94691	46943	74587	54118	64507	49077	101458	66056	93984	63570	72041	84685	101609	88848	136506	51075	75854	15568	85800	102074	68769	119525	137763	115373	65901	84367	42840	80982	63668	14017	60898	116522	Phytochemical	0.31578946	1.2631578	0.0
4	C18 H24 O5 N2	349.1758	349.17642	-0.015445288	349.17578	68308	74358	72532	66302	38025	44395	40201	85073	32117	104460	43638	37028	65697	35118	53083	73618	62689	57396	72482	123195	120098	112639	54711	80357	58519	63639	43526	38140	85276	62525	67006	81635	89480	60719	127017	81176	94458	46263	69509	98001	79563	39163	0	0	0	74796	71517	0	78869	69888	67573	54127	41417	0	57012	19487	21837	70441	31219	28590	74472	61987	48015	45298	19017	49820	40491	68723	50974	110895	90860	61813	60974	80645	52086	55955	0	50479	55263	57322	48883	31223	46355	54709	25629	26417	48695	34462	39708	80053	96183	92998	118190	63679	107044	0	68744	74231	22967	21147	22736	81914	40304	105533	45347	64329	21950	0	48620	59666	Lipid	0.2777778	1.3333334	0.11111111
8	C18 H24 O5 N2	349.1758	349.17633	-0.02884384	349.17578	126909	140305	114010	127989	56943	64991	85938	142519	59938	187451	88573	70289	64931	34508	91606	148182	99127	71990	112924	245175	213466	201585	93438	175545	111486	107327	89424	85636	140117	107569	116509	137753	155930	115618	248189	133842	182709	81621	119052	215742	162529	65833	0	0	0	156373	127981	0	175780	109532	121781	142698	66935	0	85208	34116	40440	137342	40693	64773	153621	90028	61033	66073	37079	77735	73044	131137	88475	191221	166811	135487	112698	108219	84886	122826	0	77504	95490	102569	76098	55360	61409	120667	41269	40308	98128	72758	77739	186103	195915	199424	286314	114541	184750	363	135478	127984	37982	39848	32261	155651	74010	183782	57338	137950	42857	0	94867	72791	Lipid	0.2777778	1.3333334	0.11111111
2	C18 H24 O5 N2	349.1758	349.17645	-0.017263645	349.17578	35733	35027	31670	30039	14093	17622	30740	49034	14586	38873	25768	29077	17925	10134	32707	31772	41793	20802	27196	47855	62962	51905	32388	39920	26512	23070	19230	20061	44607	33065	39081	38091	47059	37709	47576	38032	43488	29704	46715	46573	50821	18493	341	0	0	31634	41944	0	43480	32638	31347	38565	18168	0	25150	9461	11447	44999	16279	20744	28151	26283	16564	18169	11620	19963	24339	53992	26403	43220	44569	38517	36006	38446	28161	33526	0	27872	39093	37605	26522	19948	27348	27200	10410	14012	34545	19534	18797	66572	36122	43800	76017	31840	34987	0	37282	39793	10311	9894	11092	35027	26568	50097	21917	38851	10652	0	31762	18750	Lipid	0.2777778	1.3333334	0.11111111
20	C18 H24 O5 N2	349.1758	349.17618	-0.11083651	349.17575	10426	12805	11924	11654	6239	8231	8431	9196	6420	7754	7198	7254	8141	6975	9062	15935	9425	10575	10852	9404	12858	18046	7997	20297	9696	9120	8641	11279	14068	11358	8853	10187	23183	13868	7262	11394	19451	6550	13894	8343	13232	7612	0	0	0	8790	10366	0	14041	10234	11240	13472	8165	330	6453	3574	5478	13840	9342	10145	12282	7376	5761	3786	5391	10972	7851	14895	6751	14462	13108	11944	10288	10196	7536	10576	0	7768	8896	28220	7942	6241	7462	8373	3560	4898	7046	11544	12106	21953	38913	28314	25837	12385	12927	0	16620	16007	4344	4307	3040	18900	9775	12755	4620	19709	5992	0	10422	10127	Lipid	0.2777778	1.3333334	0.11111111
8	C15 H28 O5 N2 S1	349.17917	349.1798	-0.64730597	349.17896	0	0	0	0	0	2460	0	0	0	2308	0	0	0	0	0	1175	0	0	2044	0	2232	0	0	0	812	0	0	6502	0	0	0	0	0	0	0	0	0	0	0	0	6370	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1412	0	11082	0	0	0	0	0	0	0	0	0	2422	40346	0	2884	8872	0	0	0	0	0	0	0	0	0	0	0	2010	0	0	0	0	Peptide	0.33333334	1.8666667	0.13333334
22	C23 H24 O3	349.1798	349.18024	0.06443307	349.17984	22989	31869	22712	28678	23765	16577	16331	27209	22405	16715	29736	21521	12183	23922	19573	35044	34744	11300	30011	27762	34880	26409	23628	31950	18257	90188	17880	30779	27803	26345	23282	26278	30040	20250	30700	29220	26357	18608	31084	27685	37642	21036	0	0	0	24090	27403	0	26521	26973	24719	23710	21953	278	15209	16264	17422	33651	20807	22982	30954	19484	17574	14712	14445	21279	25311	33004	61495	61079	82617	22630	21015	23023	25342	28399	0	19382	28805	22937	27496	17802	18184	24869	22861	15863	31857	23751	16654	34461	20906	21418	34885	23230	20474	0	22204	24994	18682	24314	21235	36319	18923	28928	12973	27254	20196	0	23103	14753	Phytochemical	0.13043478	1.0434783	0.0
26	C23 H24 O3	349.1798	349.18027	0.0781686	349.17984	13036	13642	16528	13177	13828	10327	5210	17414	12872	11916	22676	10719	15039	6098	7684	11340	27437	11637	22832	20102	19352	14515	8367	17446	12651	63477	6278	23578	14940	16601	14933	18201	16666	12514	15644	16739	17345	8272	17864	20506	20958	16556	0	0	0	13584	14310	0	14795	16476	13034	14590	17490	0	8340	9669	10275	9495	10312	11594	13322	15933	10288	10985	6027	19753	25021	15557	68253	26746	43180	11462	9954	18335	11607	11257	0	7412	14929	17482	7627	12198	10471	21068	13206	8714	17034	10239	14135	11606	7387	6540	20125	15512	9359	0	17240	16571	13283	12704	16501	23927	8233	21174	10808	29175	15372	0	9510	8822	Phytochemical	0.13043478	1.0434783	0.0
24	C23 H24 O3	349.1798	349.18024	0.09817199	349.17987	32142	30351	25739	27619	31824	17032	11563	27250	22158	23210	45080	18543	21146	19642	21840	32588	34502	20846	35721	32575	37014	20372	23697	34177	16652	117546	16322	39409	25187	32112	26100	29434	33544	26619	34881	30655	36173	15505	29527	35023	48725	23144	0	0	0	23189	30340	0	27602	31647	26271	29144	26978	0	18725	15371	16823	29234	22206	23589	30293	28943	19251	15882	12307	30053	38667	29609	102675	71606	106959	24594	22098	25504	24656	25375	0	18728	29458	24743	23662	22851	19150	34254	20778	18064	29017	23245	24353	28153	25209	21081	36641	24901	23468	0	24444	25747	23048	22985	25147	40650	18978	37245	19983	30089	22650	0	23775	16626	Phytochemical	0.13043478	1.0434783	0.0
20	C23 H24 O3	349.1798	349.18024	-0.01295204	349.1798	15776	18787	15842	15896	12915	8078	9842	18604	10707	8724	13325	14430	7998	13081	12366	20825	24230	12700	15853	13945	15110	10968	12065	20690	13123	28619	14166	13857	11608	16725	15144	16315	21829	11023	13524	18845	21256	13584	25628	17831	21334	10574	0	0	0	12567	18557	0	20060	17890	18044	18911	10330	0	8075	9830	8932	21573	12163	19806	18683	9481	10525	7809	6995	9978	15492	26363	24894	32359	48354	12857	14641	16357	20001	15988	0	9498	26773	10966	18501	11959	15606	12540	13719	8759	20959	11359	12956	24630	11790	17747	26413	11783	9002	0	16751	14816	10912	15010	15334	15565	15182	20961	8617	18783	10319	0	16587	7564	Phytochemical	0.13043478	1.0434783	0.0
26	C20 H28 O3 S1	349.1832	349.1836	0.16219324	349.18326	9702	9651	10091	9314	5945	3541	3164	0	4146	14602	21291	0	4163	2367	0	6213	0	0	0	22897	17564	22181	0	0	7525	49854	2627	26958	0	0	0	0	4235	4542	19543	0	4351	0	3894	25553	35946	0	0	0	0	27910	29564	0	0	0	7934	10671	6563	0	0	0	0	10029	12531	14813	7324	17737	0	2697	3057	8185	13171	2891	28787	26175	35145	0	0	0	0	2558	0	0	3677	49656	0	17060	11241	30205	0	0	9190	2484	4283	9866	38597	49065	10994	52537	31077	0	10515	7461	6819	4529	7374	0	0	17655	17064	4708	7268	0	4916	3140	Organosulfur	0.15	1.4	0.0
18	C17 H29 O2 N2 S1 Na1	349.19202	349.1924	-0.08213247	349.192	8637	6515	8876	8040	7098	5015	6435	8473	4423	9468	5527	9497	3986	3107	5209	8152	11692	5010	10936	11446	11948	3442	6383	10850	4776	17794	6225	5205	8101	5880	7677	7711	6558	4260	10133	7260	9585	6217	14080	5533	7827	5393	0	0	0	5188	2698	0	10225	6414	7815	7315	7391	0	2985	5977	6704	11059	3190	6139	5029	3149	7389	4110	3501	7607	4618	12222	14200	17718	20779	6315	8501	5087	9624	10282	0	4895	8391	4892	9984	3057	7866	4354	3979	5209	6544	7125	4941	7003	8301	6063	8675	2787	4113	0	6579	5162	5354	8742	7855	9647	4427	7293	3466	6336	3666	0	7928	2739	Organosulfur	0.11764706	1.7058823	0.11764706
20	C17 H29 O2 N2 S1 Na1	349.19202	349.19244	0.065658525	349.19205	39434	34959	40417	31589	26420	24416	22612	39388	24538	39043	23588	22979	11842	15574	17340	32168	32845	17061	27784	47258	44492	23765	21102	34955	27014	91395	26919	26720	31478	30414	23762	32148	39225	33399	45294	30842	40974	18560	41874	36788	49286	24908	0	0	0	17497	27531	0	29031	20859	25947	40646	27363	0	28886	25996	18745	47346	18197	28619	38677	23507	15065	16582	11080	25599	26842	41681	75472	91234	91516	23467	29798	28933	46440	30600	0	26166	26214	20108	22271	15335	25609	18950	27719	14106	38657	27618	27871	38107	21806	33092	31862	24569	30644	0	35298	34484	24492	35417	33426	43256	23429	44766	14219	30598	16250	0	33727	30008	Organosulfur	0.11764706	1.7058823	0.11764706
22	C17 H29 O2 N2 S1 Na1	349.19202	349.1925	0.10397361	349.19205	8311	11110	9769	7121	7209	5409	7195	10443	8062	12988	14060	6318	10181	5185	9169	10392	7546	12038	12556	25951	21215	16116	9196	11040	8196	18688	4306	7674	9124	8019	7743	7985	10947	10316	12178	8477	14464	5485	10181	15151	12050	4405	0	0	0	10019	8641	0	8854	5135	13207	11642	6735	0	9458	10073	3480	11665	5560	4962	12358	8019	8586	8957	2969	7630	5861	11634	11776	29434	29522	10616	8432	7061	6714	10601	0	6513	12610	7205	7111	4431	7013	5490	6014	5442	9270	6511	6762	10829	9444	10387	13289	10462	23377	0	6883	11448	5317	17127	12645	12952	7520	14049	3523	9415	5899	0	5772	15051	Organosulfur	0.11764706	1.7058823	0.11764706
26	C25 H25 Na1	349.19266	349.19302	0.08729583	349.1927	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7997	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2382	0	0	0	3367	0	0	0	77111	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2075	0	0	0	0	0	0	0	0	0	0	0	0	1619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1933	0	0	0	0	0	0	0	2232	0	0	0	0	0	1366	0	0	0	0	Phytochemical	0.0	1.0	0.0
20	C20 H28 O5	349.20096	349.20135	0.020573702	349.20096	1529826	1612044	1542352	1381835	1307184	1059570	1446955	1601453	1116590	1494413	1077402	1087515	1339049	1067233	1313645	1991665	2162860	1430145	1848220	1889140	2019646	1311342	1058198	1543145	1165848	2213173	1504406	1085352	1695909	1509975	1193985	1686350	1811081	1467120	1467679	1668539	1838409	1070835	2064353	1219410	1476408	1139139	42668	11427	6527	1015394	1084872	13010	1643862	1328382	1520762	1541490	1191300	13049	1374673	1361042	921369	1837512	967677	1125380	1651195	822126	1372877	1229053	794173	1435888	1235131	2122397	1715102	2424511	2645084	1172829	1385528	1536504	2287978	1506989	4776	1023080	1521533	1081933	1110347	628070	1416711	1173740	1458437	1079883	1858147	1206736	1199425	2091596	1582067	1482001	1860117	941517	1181635	16775	1544273	1590417	1112546	1912261	2110368	2091639	1047055	1552299	742169	1480414	1204792	12015	1302288	1258809	Lipid	0.25	1.4	0.0
24	C20 H28 O5	349.20096	349.20135	0.07272881	349.201	1292692	1269951	1235104	1273905	1063544	824974	774456	1408190	900569	1448180	825791	620978	1663329	928695	817493	2277423	971285	1300135	1583630	1873003	1677191	1969355	791360	1159556	821103	1149719	723767	925485	1160026	1079342	974619	1184315	1266199	991470	1676645	1309389	1439392	702094	997797	1059766	862594	714211	32409	8632	12365	891863	890734	17237	1273554	883926	1230156	1181403	869187	17110	1288698	1169379	620354	2409051	810758	601528	2114958	721235	1159281	953718	475136	1378528	972559	1022071	918988	1725943	1302996	908222	1074077	1177919	893217	1234759	9758	743810	1109278	695053	811818	618618	824663	723885	954047	678068	1258891	690938	922141	3760425	1969126	1750126	3342988	798957	1292797	17742	1265983	1287554	782557	1425758	1531234	1374897	606441	1169560	672561	1887911	737142	10556	875885	1056467	Lipid	0.25	1.4	0.0
28	C20 H28 O5	349.20096	349.2014	0.04789139	349.20096	47483	40306	41695	43805	49172	26938	42720	53949	39309	33693	25534	32205	83399	55700	35884	61548	47825	48269	67284	48839	43412	43283	41597	52481	40057	42137	39492	33268	56466	61821	48228	52329	63530	42830	44826	69333	54109	31228	50350	28215	26208	38223	5897	3527	8176	31861	24906	6009	60292	50285	46993	40733	43810	8284	56276	79321	28725	71103	28342	24123	66903	19758	47946	41949	27804	74466	47208	48715	36266	52323	55116	34193	39729	50159	37584	43317	7079	27380	64201	31166	43792	21771	32213	25904	56698	26969	80171	27612	34374	72597	58741	57587	72472	21374	29967	4904	46530	46585	34401	109589	129154	68933	37740	45086	25343	55061	39997	4368	36857	41600	Lipid	0.25	1.4	0.0
12	C20 H28 O5	349.20096	349.20142	-0.046204407	349.20093	71411	74648	67716	77772	26571	19269	69476	63017	22470	26948	33267	43938	20207	18946	42193	101440	90163	15629	36306	31687	33301	63341	40004	78708	46073	30056	98371	22511	41126	71036	39766	73276	46619	31376	26096	64128	45241	47798	101222	24661	46076	25111	3949	2791	2639	36959	55468	3306	73224	73243	67999	67940	25763	2290	35663	35981	25808	79732	30780	43940	58368	18818	32981	29194	24821	30073	23277	102785	19451	34937	37298	31672	36561	75262	141285	67072	2371	37246	62936	23776	51278	30534	42685	24031	46095	30099	75655	17856	26495	125089	60575	55324	83239	26284	56682	3110	64950	74734	29705	60721	70039	73161	37228	62042	20262	56984	38947	2637	64919	22564	Lipid	0.25	1.4	0.0
18	C20 H28 O5	349.20096	349.20135	-0.001370866	349.20096	834859	850748	832237	769097	633052	489122	921333	872402	477171	604059	569251	626295	673788	523452	693062	1164452	1330337	662584	900940	826879	842622	663202	656749	943233	662126	1031977	920750	540847	898731	864950	743178	934863	1041456	753954	632102	918543	880176	636987	1393617	537071	721426	587532	22434	5635	4960	465647	547767	6401	944478	782235	809083	799441	586008	7679	762212	738673	524183	1059591	446284	671586	893487	383980	716129	570673	452019	710085	639421	1494709	808691	931165	1255126	583991	641928	864402	1402085	848105	3845	514837	916650	592098	752661	446269	784360	603823	807100	606983	1080071	604826	641077	1442626	799321	833058	1053408	446296	622322	9106	847868	787603	587892	1047433	1203196	1115242	538407	745724	307270	793429	582737	5481	843212	547194	Lipid	0.25	1.4	0.0
22	C20 H28 O5	349.20096	349.20135	0.046091106	349.20096	1763130	1822294	1598264	1751216	1648987	1340543	1481685	1772003	1482203	2245312	1495448	1036467	1601066	1284798	1388407	1936234	1882142	2029851	1923718	2754279	2832241	1722386	1296516	1633071	1439833	2472497	1507469	1433245	1997931	1614019	1450544	1915165	2239585	1757178	2260273	2041264	2221367	1273979	1914027	1694041	1669146	1190958	61198	16668	8564	1247357	1303184	16101	1838920	1547651	1807041	1692693	1479091	16735	1894342	1668094	1048333	2024956	1144911	1126441	1920807	1154014	1789897	1452348	862321	1860412	1545944	1937630	1933800	3277487	2874386	1396884	1459673	1659494	1716435	1727204	7277	1144206	1602851	1127896	1242378	866096	1411459	1341343	1676811	1314186	1777752	1414366	1554852	1985940	2046252	2162561	2069652	1228819	1806922	22214	1590615	1877474	1365867	2121621	1989592	2433915	1104684	1799737	947585	1697627	1331142	13154	1393576	1677652	Lipid	0.25	1.4	0.0
26	C20 H28 O5	349.20096	349.20135	0.073223114	349.201	237948	228305	228053	217348	267141	168096	156037	247778	227699	196804	134598	132737	557468	366784	203567	256712	177676	300484	371650	300418	262346	225209	175298	246010	185572	195562	143389	163823	249025	248897	212694	244583	282414	190024	249058	284096	313417	161753	171565	189937	151971	166458	12276	6981	0	163196	114617	12771	243903	191669	237795	224517	217673	0	320334	452333	165217	304403	182949	112518	277772	132555	301400	212006	154226	400939	236880	195678	173182	288753	251488	175239	188659	242238	160871	225364	0	149853	250465	145924	177419	116456	177651	137892	263869	166502	292391	136522	160692	280059	294506	285711	344033	137571	216994	7661	229255	265925	185061	593654	612065	306204	135206	236856	146283	189901	196680	8798	190479	243880	Lipid	0.25	1.4	0.0
10	C20 H28 O5	349.20096	349.20145	-0.029866332	349.20093	14802	16906	12497	13074	9812	10154	22089	23414	8681	7651	8229	15355	6298	10087	16871	26022	26132	6576	12542	8494	10096	17261	14063	20935	21960	12211	26039	7209	16409	19160	13960	17433	18108	10423	7500	19214	18915	14378	27160	9161	8990	8088	3234	2558	3518	13124	9018	3966	17548	18776	13793	17699	9024	2797	15074	10809	9902	21634	13926	12500	22443	4015	7490	10063	9296	6731	8862	27438	8497	11923	10765	9784	13429	17450	25879	22418	2919	13239	23877	11051	21218	12310	19040	6946	15011	10490	24522	4891	9210	34955	15772	12975	26652	8055	11372	3224	18316	17656	11843	15563	25339	21547	13685	17695	0	14159	13067	1962	21994	8328	Lipid	0.25	1.4	0.0
24	C16 H29 O1 N4 S1 Na1	349.20325	349.2037	0.44277313	349.2034	0	0	0	0	0	0	1228	1650	0	0	2211	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1132	0	0	3441	0	0	0	0	3151	0	936	0	0	2235	0	0	0	0	0	0	0	1997	0	0	0	0	0	0	0	0	0	0	0	2053	0	0	0	0	1765	1041	2780	0	1413	0	0	0	0	0	1774	0	0	0	1254	0	1242	930	1179	0	0	0	0	0	2404	0	2626	27349	0	1636	0	1064	1271	0	2321	0	0	1700	0	2151	2016	0	0	940	0	Organosulfur	0.0625	1.8125	0.25
12	C19 H28 O4 N2	349.2122	349.21268	-0.011890678	349.2122	12703	17252	9657	18105	3167	3523	7980	13089	1789	7279	3966	6691	0	3348	6516	13601	11299	1547	2241	13203	10218	7781	6577	7661	11709	6453	2007	0	13231	9757	10017	15586	17987	7210	12927	11178	16338	6293	14472	12167	5050	6517	0	0	0	9455	0	0	17209	10741	16170	12335	3428	0	2895	0	3404	17551	0	0	0	4421	1519	2403	1195	2905	6144	22179	0	14957	10826	11019	6896	12820	10753	10031	0	6810	6747	0	7864	1536	1453	5528	948	1338	10675	4157	7187	42072	16954	7626	18161	6920	12140	0	10734	8145	0	0	1510	11689	5817	7431	0	12003	1629	0	10321	4027	Lipid	0.21052632	1.4736842	0.10526316
4	C19 H28 O4 N2	349.2122	349.2128	-0.016585767	349.2122	9891	10629	8629	11183	2047	3254	6887	17105	1862	10264	4607	6895	1986	1861	10842	18709	10817	3814	3955	15931	17443	18259	8649	17904	13891	6296	7767	5439	14738	9546	9006	11808	12281	9599	14379	12401	11426	8452	13046	24639	6444	3632	0	0	0	9052	6852	0	13349	16190	8175	9523	3758	0	3493	1011	2411	18312	0	732	16718	12012	2437	2245	1588	3370	4447	13384	4363	14965	9938	9595	9656	10748	12766	8436	0	7854	8710	7463	6759	1550	3590	9746	1496	3324	8634	4303	4176	23015	19082	9918	30971	8750	13773	0	9354	11014	1583	951	1212	13336	6638	16028	3396	11496	1639	0	9021	1945	Lipid	0.21052632	1.4736842	0.10526316
8	C19 H28 O4 N2	349.2122	349.2127	-0.022391131	349.2122	15973	17138	15374	14376	6816	5174	9319	15382	4924	15610	10699	9565	4787	3057	11479	26143	11895	5952	11154	23085	24747	18709	11478	26319	17623	11095	10869	9455	13284	12128	16333	19593	19779	15747	21976	13612	19643	11029	15357	19602	8087	6433	0	0	0	15787	11767	0	22071	16027	13571	16368	9075	0	7189	2361	3396	22703	0	891	19433	5602	5512	5297	3255	3380	9105	20199	6580	20727	14783	13119	15446	11438	15231	13937	0	8400	11951	12968	9806	1360	1656	9783	2343	3674	14119	7783	9970	36077	31065	7233	42018	6976	24900	0	15501	16314	3193	2244	2606	17107	8827	16804	0	18160	2639	0	12911	6087	Lipid	0.21052632	1.4736842	0.10526316
10	C19 H28 O4 N2	349.2122	349.21268	-0.010293643	349.2122	40925	32435	38063	31973	3907	10218	34057	133509	2707	17916	8129	34873	3585	7794	23261	113776	69969	5196	11285	28835	22323	15545	16862	58619	32917	10555	38557	12572	139035	161622	112016	173754	72663	70611	21276	213579	88323	22799	48280	19697	5673	9618	0	0	0	19307	9694	0	132395	124585	38419	37821	6925	0	4447	2001	4138	88408	0	0	88318	6282	3714	3186	6087	6391	13759	128201	0	29901	17921	65367	123385	252151	146771	168171	0	40129	13719	6126	13808	1580	1433	11198	2449	2602	19038	20131	18029	76618	41227	7941	63688	8640	16207	0	38237	42217	1873	856	2115	85462	30665	16447	0	94694	1567	0	22825	2222	Lipid	0.21052632	1.4736842	0.10526316
2	C19 H28 O4 N2	349.2122	349.21283	0.007990004	349.2122	4721	5667	4208	4288	363	0	4065	8203	742	3503	2199	4135	422	437	4599	5838	7079	880	1606	5232	6477	7249	3616	7428	5429	2681	2417	1679	5860	5127	5462	5927	5734	5255	5160	5527	5136	3813	6062	7980	4603	0	0	0	0	3512	3922	0	6192	7178	4446	5716	1067	0	815	0	1002	8731	439	1057	4882	2995	0	1070	0	1173	1586	7935	1842	3756	4036	5258	4963	5961	4866	5587	0	3625	4088	3242	3505	1107	2394	3876	364	717	4706	1637	1648	18545	6527	4584	22315	3264	4569	0	5697	5325	794	0	461	4253	3096	6084	1949	6765	322	0	4804	1840	Lipid	0.21052632	1.4736842	0.10526316
6	C19 H28 O4 N2	349.2122	349.21274	-0.011031242	349.2122	22849	20723	18554	19171	6951	5537	18237	43852	3327	19033	9100	16641	4877	1975	29752	51374	12750	8149	9790	25445	22422	16024	15018	30022	30568	11971	17963	9991	38571	39465	31217	32658	34962	29276	22834	34322	30519	20365	13436	16014	11802	6502	0	0	0	11983	11052	0	49832	35568	22648	20806	6161	0	6183	2042	4582	44659	806	1426	51083	9692	3129	3952	4324	5702	9931	18380	9231	18901	18598	38462	32157	34308	19047	27779	0	25406	10625	7448	9264	1759	2804	11170	3696	5082	12179	8584	9588	30188	24399	9706	37725	12209	20611	0	22283	19864	2508	1657	3963	29722	17872	17142	0	43054	4158	0	19421	4896	Lipid	0.21052632	1.4736842	0.10526316
24	C24 H28 O2	349.21622	349.21655	-0.06262539	349.2162	18769	23000	21104	16900	19897	8654	15936	26366	13949	9649	18063	19418	9639	10351	18940	42265	46869	11261	20706	14662	13358	14234	14810	27646	24325	43570	18789	14699	23891	25809	24563	28315	28070	21697	12211	31748	22253	19633	45896	12471	22294	14830	0	0	0	9037	15176	0	27601	30167	20915	23608	20882	0	11219	12727	11150	25799	15817	15783	27602	10284	8071	10705	8369	10811	19255	52248	28277	17709	39439	15023	17786	26517	30185	26317	0	15050	28891	15935	23590	14675	14722	13217	16451	13288	37888	19866	19852	41446	18741	12956	24475	10957	14533	0	17065	22741	14561	20255	14004	39756	14067	25479	10354	24652	19002	0	27206	9651	Phytochemical	0.083333336	1.1666666	0.0
20	C24 H28 O2	349.21622	349.21652	-0.13458462	349.21616	3589	3899	3865	5705	2945	0	4541	4011	2714	0	0	5206	0	2072	4838	5338	20618	0	4487	0	0	2273	5029	4572	4797	0	5850	2155	3129	7169	5398	4207	6118	1831	2101	8299	3439	3563	20480	0	6123	2643	0	0	0	1701	2663	0	3658	4895	5093	4435	3394	0	3540	2726	2044	6712	0	8014	4138	1044	0	1492	1982	3513	2787	18564	1472	0	6235	1623	3309	3468	12219	7007	0	1596	6865	4276	4653	2678	5720	0	4154	4194	11036	4438	3322	16007	0	3422	7234	3330	1856	0	5143	4251	1372	5570	8839	7818	4833	4620	0	3444	3037	0	5552	1482	Phytochemical	0.083333336	1.1666666	0.0
22	C24 H28 O2	349.21622	349.21655	-0.1262696	349.21616	10108	9399	11385	10195	12908	4312	13917	17610	5490	3057	5875	13812	2925	0	15804	19250	39829	3003	10474	7160	7151	9159	9378	11736	12507	13213	17848	5550	8354	19099	10744	14950	15640	12760	6461	13929	12362	15937	35368	5184	13268	8332	0	0	0	7111	7349	0	17912	15224	10737	9736	7079	0	6760	5974	11359	12893	8890	13071	15958	2680	6275	5821	8317	5005	9420	45898	11863	10237	16118	8346	9833	15806	21860	17447	0	10696	22382	8281	13897	7110	9649	6317	9242	12944	26304	9735	8767	43007	11209	9797	15651	6190	6135	0	9418	12333	9095	12568	8877	18888	12832	10025	3346	12995	11420	0	21377	3277	Phytochemical	0.083333336	1.1666666	0.0
26	C24 H28 O2	349.21622	349.21664	0.024313003	349.21622	16956	16939	16896	17448	17951	8969	9936	23885	11932	5638	18932	17829	8770	8372	14058	26080	23922	10031	20374	18122	12561	14242	12714	25116	18035	51915	13041	18234	24048	29671	21711	24057	24139	19010	13747	32836	20845	18682	31387	14911	18009	12437	0	0	0	11051	9974	0	23459	28278	15809	17158	16992	0	11816	9111	10946	22443	13550	12564	23188	9289	6172	7933	8028	13048	17539	32992	42792	21426	30937	14886	21860	29617	21003	24852	0	14488	18367	19446	15397	12987	14509	12116	18505	10948	34260	12088	16501	25472	14283	14092	19069	13389	12475	0	19182	17509	10907	18892	18382	30958	13090	18010	11058	18325	14959	0	19050	7360	Phytochemical	0.083333336	1.1666666	0.0
22	C21 H32 O4	349.23734	349.2377	-0.044123914	349.23734	349648	328944	318564	329382	253170	206624	1144850	338703	186974	231780	280604	193604	207200	334542	315562	405290	597586	242070	290644	243362	270458	287348	219164	266786	412010	522808	1152538	305400	351626	346102	260882	350186	380570	294456	227618	380292	371902	325882	593796	190914	301352	224584	28658	12208	3424	185762	213904	6300	334936	264366	356402	309062	262226	8922	260728	245498	222670	437510	174886	274804	372688	140398	293200	171070	293480	330368	392916	587620	244856	283468	430048	192132	239988	321318	536886	322708	3787	182614	321064	344308	209936	194470	728444	682374	285422	276080	494496	227598	280854	725430	508624	490646	498542	189060	282298	10746	306336	363604	223000	285476	304464	498952	193524	316560	177102	330294	236426	11954	361854	202334	Lipid	0.1904762	1.5238096	0.0
28	C21 H32 O4	349.23734	349.2378	0.065021776	349.23737	31867	27792	28804	30170	27380	15761	73059	36584	29304	21839	22171	14113	29548	25075	38431	32665	41319	25505	45011	28041	24405	28266	20329	20940	49615	29814	52310	42039	45840	39748	29398	39417	52899	30533	32564	52692	47977	44623	37560	21162	18634	28515	4656	3980	6590	21822	15150	3387	33939	32432	26564	26372	27664	5639	43114	33713	22272	42490	38217	15084	37869	18979	22491	23615	20972	41071	48006	38668	26520	26562	26126	16641	21920	55308	24007	33784	4647	20572	32913	39354	16641	22856	33621	24185	37134	22831	68991	15429	24869	36300	51853	58501	38931	20611	20836	3816	34444	31349	21342	34733	46718	66943	21377	35529	32711	30448	34602	3677	32925	15715	Lipid	0.1904762	1.5238096	0.0
26	C21 H32 O4	349.23734	349.23776	0.061962243	349.23737	260443	253474	271822	252094	221360	157063	544636	263006	225680	214486	295278	122857	212934	244481	370216	264131	296296	208210	338873	384509	316300	241580	127080	170563	345522	330305	531148	431387	360708	314981	255888	337339	410063	234573	333315	417216	395253	428491	372350	223966	200398	258861	10312	6050	0	170029	136470	5025	285515	200936	280796	255758	232392	0	277606	261479	204049	336529	251227	139787	277567	176665	219608	175315	162273	317069	339192	280528	245262	299506	246391	153652	275095	422367	208723	297876	0	183469	215914	267824	138080	176538	318750	265904	207318	205751	475578	148008	226151	259168	506047	547654	331222	194473	234154	7810	261870	297160	206521	255347	275908	447291	168725	272771	249778	217411	231151	0	363625	170419	Lipid	0.1904762	1.5238096	0.0
20	C21 H32 O4	349.23734	349.23773	-0.019532133	349.23734	56328	59320	63535	51623	32453	31232	148940	55578	26719	27829	32871	42647	21904	57193	51720	78382	130108	27510	46694	30424	29383	38330	30584	45366	63595	70618	159240	42607	57155	61276	34538	59239	65375	52011	24905	68139	59140	47553	129060	17575	34680	44481	11732	13465	5676	21433	27154	10770	57828	45498	52350	53496	50467	7505	31052	37217	37432	76346	24691	38197	56118	12803	43955	29654	45487	48201	60370	125643	30323	34376	49431	28656	43464	62267	119761	53151	7659	33951	62202	69759	37024	25094	153146	140375	47193	46591	96672	35640	44490	155761	66529	60581	87032	28189	31019	11762	57432	60680	30802	60367	69502	72372	36997	42516	23575	63473	43561	12442	64676	26392	Lipid	0.1904762	1.5238096	0.0
24	C21 H32 O4	349.23734	349.2377	-0.003368126	349.23734	381655	375110	362126	363900	329489	256751	1006384	366324	229646	339706	328374	157074	280075	385371	625077	428330	436938	307707	473114	414907	406362	315258	180786	251063	397345	515171	954529	428971	391383	377930	296406	433601	438048	334496	373095	480962	482782	549058	477285	274793	311437	533782	21290	6363	7325	224512	230690	4265	403456	286861	381132	343562	305247	8633	347549	259424	258395	461237	246116	219613	409414	202103	306194	221873	262279	400195	484948	444702	313866	410616	459710	216829	300175	442582	401558	388385	0	208953	264946	358183	175256	230547	513281	495732	257846	256165	497290	241249	344949	525154	683252	655050	498257	241535	348015	7158	373932	392494	247912	244569	305701	550745	176320	397733	243625	333542	238593	4915	340011	247315	Lipid	0.1904762	1.5238096	0.0
24	C18 H36 O6	349.25845	349.25876	-0.11711264	349.25842	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32324	0	0	0	0	0	0	0	0	0	0	19051	3665	0	1592	0	0	0	0	0	0	0	0	0	0	12470	0	0	0	0	0	Lipid	0.33333334	2.0	0.0
20	C18 H36 O6	349.25845	349.25882	0.036240384	349.25848	3837	3641	0	1594	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7675	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1976	3396	0	231	0	0	0	0	0	0	0	0	0	0	1450	0	0	0	0	0	0	0	0	0	0	0	0	0	0	522362	0	0	0	0	0	2047	0	0	0	0	90004	41118	0	34652	1648	0	2156	2719	0	1864	8421	0	0	0	0	0	2453	0	0	0	Lipid	0.33333334	2.0	0.0
28	C22 H36 O3	349.2737	349.27414	0.040913872	349.27374	17406	15421	16606	13716	10789	8388	184918	16162	8473	9803	32456	8672	10004	22809	17448	19093	19895	10728	12286	13166	12322	9974	11966	9906	19100	24294	151520	71432	19151	20183	11301	18282	12876	12106	10181	21345	11113	15603	17535	9839	15591	12769	8453	7300	13836	14303	12864	6351	12447	15754	15592	14703	11072	12861	12086	12802	12104	18809	22817	17253	19435	15978	10849	9853	23871	16111	30676	18359	22265	10361	11712	8921	9210	19179	14419	14159	14741	8759	15132	47417	10288	21167	22288	25230	14051	12350	35933	9744	12202	24288	39841	29827	10733	21330	12396	6564	15660	19577	14239	8908	17814	19412	14377	24374	38797	11400	10080	6756	15268	7254	Lipid	0.13636364	1.6363636	0.0
22	C22 H36 O3	349.2737	349.27402	-0.016240325	349.2737	2791	2439	3823	2182	0	0	126874	0	0	0	1251	2094	0	5267	0	2833	8216	0	0	0	0	0	0	0	2242	3925	157523	5094	1607	6199	1580	0	1358	1385	0	3792	0	1751	8653	0	0	0	0	0	0	0	0	0	2127	2818	2063	1991	1213	0	0	0	1593	1467	0	2181	1685	0	1629	0	5967	0	3765	9810	0	0	2108	0	0	5272	9097	3295	0	1652	1794	4878	0	1936	13109	12144	0	1250	9130	0	0	9919	0	0	0	0	0	0	3278	3260	0	0	0	4029	0	0	0	0	0	0	2451	0	Lipid	0.13636364	1.6363636	0.0
24	C22 H36 O3	349.2737	349.27408	-0.047413822	349.2737	18978	18991	18791	19855	5133	6137	290163	12951	1613	6526	14171	5618	2985	70362	9543	16933	40462	0	10094	4051	3555	4508	3207	4921	10652	28014	304661	38036	11325	16025	7989	16807	9148	11132	1430	18243	8447	11361	49868	3297	19551	10732	2285	0	0	5249	11015	0	14756	12760	16519	17948	15346	0	1905	6302	12580	11786	4235	17442	23413	3754	23948	2328	51930	16218	36851	37951	12877	6234	14439	2878	9795	21386	23631	15640	0	5600	17132	32457	5222	17450	54172	66768	4265	5832	50087	8980	10332	54363	33138	19207	7439	7975	6686	0	18306	19486	13543	2991	4037	13717	6437	17300	8709	7264	4173	0	15616	5748	Lipid	0.13636364	1.6363636	0.0
20	C22 H36 O3	349.2737	349.27393	0.26639494	349.2738	0	0	0	0	0	0	27270	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33176	0	0	0	0	0	0	0	0	0	0	0	1303	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1742	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13636364	1.6363636	0.0
26	C22 H36 O3	349.2737	349.27414	-0.005907948	349.2737	53407	48933	55018	51458	15248	14497	609935	33192	13996	14947	170770	21913	11637	142265	30985	36557	90087	7575	25513	20385	10085	23493	15789	25303	35720	76609	596916	628986	42008	61655	25836	44890	28090	29187	18499	55132	27182	31064	98253	21290	45275	96305	8616	0	0	21554	30126	0	35299	35238	47718	46074	24659	0	14020	24355	43186	35567	25781	49988	70728	25065	48417	10565	129039	40657	78186	68984	44886	22684	33705	15869	35194	103233	56295	40129	0	22725	42673	329119	21587	71656	82238	91520	19162	39931	110720	17523	27190	95792	83008	68239	28832	55619	29011	5381	49957	53517	32550	11438	24197	38563	19677	58811	57500	22496	12365	0	42703	15704	Lipid	0.13636364	1.6363636	0.0
28	C19 H40 O5	349.29486	349.29517	0.005928928	349.29486	1345	2309	1821	1803	2522	2319	1884	0	939	1168	2567	847	0	3428	0	5359	3464	5018	2294	0	0	2623	0	1977	0	4055	3098	4222	3090	0	0	40644	1601	1569	963	0	2783	0	2268	1411	3774	2484	3631	1887	0	2030	2988	0	1248	0	1796	1769	1306	0	0	1855	1949	1510	1715	3210	0	1348	1237	0	1140	962	3361	3642	2294	1567	1334	1540	0	2593	0	0	0	0	1387	8528	1591	3292	1937	2243	1874	1926	1622	2189	1912	3616	2602	1317	3076	1646	0	1752	1474	2850	1649	1850	3911	3575	1038	3109	4665	3209	1524	0	1469	0	Lipid	0.2631579	2.1052632	0.0
26	C19 H40 O5	349.29486	349.29517	-0.008384199	349.29486	13602	10253	15140	12138	59724	144168	0	0	0	1989	2687	0	43306	429888	0	0	0	9839	150995	0	0	0	0	0	0	0	0	7199	0	0	0	0	2192	0	1558	0	4004	0	0	0	0	177031	0	0	0	0	0	0	0	0	12070	12009	18393	0	0	0	0	0	3488	0	0	0	0	0	3329	51081	757472	3075	0	0	0	0	0	0	0	0	0	0	0	5624	0	0	0	0	0	0	0	41212	168366	0	3932	1782	0	0	0	0	13098	14708	2285	0	0	0	0	0	13643	0	0	0	0	0	Lipid	0.2631579	2.1052632	0.0
28	C23 H40 O2	349.31012	349.31052	0.046170305	349.31012	2238	3644	3267	2451	1203	2662	43070	5299	1837	2008	17458	2921	0	8685	4180	3504	3750	2911	1936	3148	2353	2692	3032	2576	2756	14533	31389	13743	3338	5715	2475	2551	3052	2852	1966	4383	1603	5136	2223	2431	2855	5033	3106	2975	5581	4643	3901	3019	1552	4885	4299	3036	2321	5762	3213	3933	4813	1290	4248	4310	8014	4841	2391	2107	11651	2453	2793	2047	21475	2129	3437	2595	2498	2676	3640	3575	4182	2672	3289	20515	3290	6756	5363	6463	2616	2418	4919	1759	3700	2353	4386	2511	2133	8199	2971	3500	3280	5559	4876	2446	3379	3314	2885	7278	8993	1764	3376	2985	2569	2267	Lipid	0.08695652	1.7391304	0.0
26	C23 H40 O2	349.31012	349.31036	-0.065831356	349.3101	2298	0	2102	2129	0	0	90650	0	0	0	10770	0	0	35559	0	0	0	0	0	0	0	0	0	0	0	13243	104306	16589	0	0	0	0	0	0	0	0	0	0	2931	0	3396	0	0	0	0	0	0	0	0	0	0	2823	0	0	0	0	3974	0	0	6232	10046	2463	4088	0	44225	0	3634	0	9724	0	3062	0	0	0	0	0	0	0	0	12049	0	7880	7143	14797	0	0	2244	0	0	0	3810	2079	0	2244	0	0	0	0	8694	0	0	0	0	7078	7223	0	0	0	0	0	Lipid	0.08695652	1.7391304	0.0
18	C15 H11 O9 N1	350.05066	350.0512	0.1620117	350.05072	3455	4108	1692	3818	7036	2788	0	0	4818	0	0	1235	19317	3397	0	0	2338	6137	4359	0	4648	3916	3169	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1201	0	0	3664	1984	0	0	346	2349	2395	488	0	0	1783	0	3868	0	6551	8253	1870	2758	0	1356	1873	1233	10919	6639	2209	12034	2185	0	0	0	0	0	0	0	0	0	0	0	4656	4373	2864	1282	0	0	7724	2744	3080	4494	3001	2320	0	2052	2870	9750	6221	0	0	2833	1799	7767	10935	3054	0	0	1514	0	3695	0	0	20278	Phytochemical	0.6	0.73333335	0.06666667
14	C15 H11 O9 N1	350.05066	350.0512	0.1565199	350.05072	2213	3538	3637	2651	9699	3877	0	0	10500	2991	3855	2419	21825	4149	2566	0	2143	12831	11156	1624	5086	8340	2576	0	0	0	1109	0	0	0	0	0	4627	0	5227	0	2036	1818	2164	0	4586	3596	0	0	0	0	6181	0	0	0	1998	2108	7312	0	11693	10778	3646	1438	0	0	0	2515	24624	15039	4738	12800	4816	0	0	0	0	0	0	0	0	0	0	2175	1835	0	2043	1374	0	0	13971	0	3241	5873	6827	4103	0	0	1901	10975	4186	0	3825	1869	6433	14615	9718	4360	1745	0	0	1925	7536	0	0	19779	Phytochemical	0.6	0.73333335	0.06666667
16	C15 H11 O9 N1	350.05066	350.05124	0.14095673	350.05072	10788	8910	13398	7794	18988	6132	0	0	13542	7016	4980	4478	48138	8636	3814	0	3038	17354	16858	0	6688	17844	7644	0	0	0	2002	0	0	0	0	0	4976	0	8924	0	0	3978	4042	0	10924	6916	642	0	650	0	5556	862	0	0	0	7986	5376	0	20424	15876	8676	0	0	4378	0	4960	42162	22484	5986	27426	6186	4430	0	0	2880	2680	0	0	0	0	0	2280	6026	11142	4476	0	0	0	20636	6630	3768	12762	6168	0	0	0	0	26444	11372	0	4990	5770	11868	22212	17166	0	0	0	0	0	13614	0	0	42484	Phytochemical	0.6	0.73333335	0.06666667
8	C20 H15 O3 N1 S1	350.08453	350.0852	0.08406108	350.08456	0	0	0	839	0	1473	0	0	1061	1773	0	781	1116	0	1277	0	0	0	1172	0	1699	0	0	0	0	0	1332	0	0	0	795	0	1764	866	0	0	972	586	819	0	2294	1071	0	0	0	0	0	0	0	837	0	1029	1084	0	833	1213	1236	0	1248	0	0	0	1272	1349	0	0	1629	0	0	0	0	0	0	0	25562	0	0	962	0	0	0	0	0	1102	0	0	0	1200	916	0	0	0	0	0	1193	0	0	0	0	1788	0	0	2313	0	0	0	0	0	0	0	Organosulfur	0.15	0.75	0.05
6	C20 H15 O3 N1 S1	350.08453	350.0852	0.15631579	350.0846	0	890	0	0	0	772	1197	0	918	0	1297	648	0	0	649	0	0	0	0	0	0	0	0	0	0	0	948	0	0	0	0	0	0	0	0	0	0	1562	0	0	1343	447	0	0	0	0	0	0	0	0	0	0	0	0	577	0	693	0	0	1159	0	0	0	0	0	661	0	0	0	0	0	0	0	0	20362	0	0	0	584	0	0	0	0	0	0	0	0	1061	835	0	0	0	0	0	0	0	0	0	811	678	0	0	936	0	0	800	0	0	623	0	Organosulfur	0.15	0.75	0.05
18	C16 H15 O8 N1	350.08704	350.0875	0.097132705	350.08707	32546	34072	38477	31417	42220	30887	15330	13665	42019	79891	38562	14983	76179	21674	22339	24976	23927	62994	60127	26485	51603	74777	23667	26325	13756	14196	15634	22380	11774	9344	12423	14035	26329	14799	67154	11952	25986	19133	14056	48174	65581	23241	2119	784	856	31677	38811	1392	19923	11200	34667	33202	35370	951	62325	38414	21576	30009	16578	17662	23514	47929	70730	53418	20500	53928	29933	18526	27242	26935	31086	14621	11005	7214	13695	14536	671	14619	35606	63087	20944	31082	9654	21098	44751	27507	30974	25919	29343	28564	16643	34149	50650	78471	88985	994	35534	30748	29456	33976	35897	31544	13015	18219	21196	22460	26750	698	15085	74092	Phytochemical	0.5	0.9375	0.0625
10	C16 H15 O8 N1	350.08704	350.0876	0.12944838	350.0871	87155	77567	72589	69497	80058	43765	24473	37026	107832	182258	126997	36118	147946	30084	28987	47722	48921	102552	104004	107935	186484	162282	47399	56051	17932	35321	25467	49941	28050	27013	28527	30827	61622	30792	213956	30061	58698	34740	62200	136634	233603	44331	1140	0	414	65996	115893	549	40281	33202	82884	74395	64410	371	119001	84058	38117	47917	37956	58855	44799	112942	159895	121336	39097	108939	45892	62371	115591	76797	158445	33412	28331	17799	36481	28541	0	26235	57570	104728	43434	57623	23577	44930	92453	34514	50917	57392	56187	84645	30959	60660	87322	161897	155050	0	78688	76440	61544	97506	78556	55943	33200	47904	72656	58299	60508	0	23853	168428	Phytochemical	0.5	0.9375	0.0625
6	C16 H15 O8 N1	350.08704	350.08768	0.13158107	350.0871	20984	20541	15474	17481	22503	10673	4131	8991	29864	33589	32189	8954	43064	7031	7666	17532	11274	25691	30041	18302	41877	33285	12007	12939	3767	3990	5367	8653	7747	6913	9299	7251	14307	6717	44885	6587	12784	9158	13093	16263	45211	13264	0	0	0	12573	27803	0	8339	9655	19579	18637	16259	0	34059	28125	12804	10863	6982	11950	12151	16992	52235	33907	11352	31403	14171	14947	16955	14981	30638	6548	7215	3410	5051	6536	0	6768	11331	7421	7221	7519	5221	5610	30004	10035	10933	17717	15837	20857	4821	11386	22781	25136	26286	0	18645	15541	19177	33316	33587	13288	8593	13205	8160	14139	18814	0	5425	51455	Phytochemical	0.5	0.9375	0.0625
16	C16 H15 O8 N1	350.08704	350.08752	0.12054891	350.0871	71141	62935	67479	64616	74915	54365	25591	36469	75638	132431	74208	29801	114750	34384	35725	51039	37270	118919	108626	80021	109390	160268	47263	45235	32248	31056	22068	42751	32335	23580	31592	31895	54298	24481	166950	29311	65508	34974	38726	111040	134496	40353	2533	513	1097	63361	90956	1107	33953	20766	64545	67528	62858	887	88078	62841	38746	52758	37246	37427	62964	93402	123232	91476	29772	98104	56800	33613	62293	57630	85971	23514	23275	16579	28552	19502	501	25685	52574	104163	34811	49488	23931	53972	78146	43952	58004	52967	53536	65004	55187	77284	96593	139722	162477	970	67648	71723	44102	59272	74996	51814	23862	32887	34700	57549	58472	1223	33096	136169	Phytochemical	0.5	0.9375	0.0625
20	C16 H15 O8 N1	350.08704	350.08746	0.07613405	350.08707	16621	11939	16022	15191	21302	15680	4417	7042	22235	22253	9390	5772	26947	13202	5955	8628	7239	28478	23423	12314	19158	34912	11232	9524	6244	4515	5160	8047	6599	4822	4991	2998	10980	7428	30272	2609	9584	7457	9438	16305	21493	11332	1822	0	918	13985	16697	1991	7708	6741	11536	13282	17190	888	28490	16057	10416	8643	5665	5778	11435	16021	41756	29416	9320	28488	11909	7422	7288	8550	7144	8112	4987	0	4638	4581	976	5502	13447	31269	12559	10266	5311	10672	24109	12335	13630	12392	12840	11277	13172	10914	21358	37610	34692	687	16196	18151	11925	21952	21599	7534	5959	7067	8888	5479	15982	943	9008	39967	Phytochemical	0.5	0.9375	0.0625
8	C15 H15 O7 N3	350.09827	350.09885	0.09494921	350.0983	61918	65490	47522	53572	50998	21630	24602	21922	76516	88186	42832	58022	25598	10702	34900	44438	52544	44666	76438	30420	91156	99650	54288	46754	15596	26902	26050	33262	17886	28152	22086	20550	50314	29510	118206	25772	42784	19684	41508	73380	101458	39736	0	0	0	36836	70190	0	40790	22184	51718	65702	37186	0	90796	29208	23736	36262	22702	48258	51606	45148	116062	77482	37584	46604	38680	70366	55910	52522	96184	30488	30690	23742	31969	24288	0	175696	62580	17000	39836	33612	16070	21738	28458	26386	49620	48560	26466	100424	0	37014	68738	72078	41252	0	66348	54236	50500	28840	56390	35774	43572	49198	21424	46274	24970	0	28332	127696	Peptide	0.46666667	1.0	0.2
14	C15 H15 O7 N3	350.09827	350.09875	0.03553457	350.0983	11270	6924	16014	12852	11442	8562	9070	8656	11814	13900	10090	6638	21310	3574	10882	19066	9770	14138	16432	9393	12088	32352	11552	13448	7268	16602	7804	0	3060	7568	5698	0	9342	5080	17180	2902	13110	7912	16886	12186	20006	12376	0	0	0	10757	12804	0	10902	13125	14564	11074	13132	0	17068	4580	5744	8314	0	0	0	14016	21968	18946	7526	22472	11178	16446	0	13827	15722	6878	5530	2398	5314	4270	0	8410	18890	0	13230	6504	9078	6400	20461	7078	15942	11838	10642	38690	11668	13986	30790	17676	11182	0	15869	7940	5192	11414	9896	11240	7996	14308	0	13512	6720	0	11032	27194	Peptide	0.46666667	1.0	0.2
10	C15 H15 O7 N3	350.09827	350.0988	0.10102739	350.0983	33820	26622	28850	30990	32678	19310	16876	18516	0	36574	25398	20410	44212	10354	25194	26510	31320	51448	45192	30382	47564	71370	34012	27908	14318	7238	15586	10298	20361	14304	24848	20566	31784	15240	47130	15798	35616	19948	40904	48872	65776	18098	0	0	0	33704	33554	0	18668	18658	37350	33510	26728	0	0	26888	19894	30830	23052	30466	26352	36254	63372	38294	19065	44984	22808	48010	21802	24085	39405	20482	14090	8450	16752	14948	0	19858	39364	24684	24750	16154	11020	11864	38651	19532	33658	32818	24158	67682	17818	27206	74182	36622	34217	0	35080	25668	22120	26830	0	27414	19118	23174	0	33444	19850	0	20012	64516	Peptide	0.46666667	1.0	0.2
6	C15 H15 O7 N3	350.09827	350.09888	0.07925943	350.0983	16744	18780	15716	20926	14281	8376	11746	19890	19597	13307	14384	15357	24027	4409	11220	21118	23472	17023	26963	14087	22117	29738	14008	26262	4756	1361	9369	6218	13692	11943	13844	15427	22780	14409	22797	13971	16939	11672	23828	11817	25049	11728	0	0	0	11999	15674	0	19596	18288	20595	16967	14315	0	0	14317	9584	18150	8689	12231	16373	11595	31739	20716	10140	22686	13621	28734	6922	6927	10490	14158	14293	7527	10703	13198	0	10371	16003	8410	14918	6172	5421	4295	21355	9869	14880	19387	16963	39970	4153	12035	33506	19205	14100	0	19733	15184	10805	18406	16269	24529	11767	10188	10913	24646	13423	0	12118	36597	Peptide	0.46666667	1.0	0.2
16	C20 H15 O5 N1	350.1023	350.10284	0.21252872	350.1024	2321	0	0	0	0	0	0	0	0	2893	3376	1036	0	0	0	0	0	0	0	5004	0	0	0	0	0	15279	0	2725	0	0	0	0	2417	0	3209	1850	0	0	0	1911	3801	0	0	0	0	0	3419	0	0	1477	0	1445	0	0	0	0	0	0	1203	0	0	2535	0	0	0	0	0	0	12104	14823	25118	0	0	0	0	0	0	0	0	0	0	1818	0	1890	0	0	0	1300	1341	0	0	0	0	1930	5118	0	0	0	0	0	0	0	1248	0	0	0	0	0	1015	0	Phytochemical	0.25	0.75	0.05
18	C20 H15 O5 N1	350.1023	350.10278	0.2612056	350.1024	1731	2109	0	0	1194	0	0	0	0	2741	6101	0	0	1846	0	0	0	0	0	2491	3734	0	0	0	0	22511	0	4519	0	0	0	0	0	0	6808	0	0	0	1636	2638	6751	0	0	0	0	1585	0	0	0	0	1585	0	1692	0	0	0	0	0	0	2349	0	2310	0	0	0	0	0	0	20381	15935	34113	0	0	0	0	0	0	0	0	4716	0	2694	0	3356	0	1403	0	0	0	4027	0	0	0	3851	3677	0	1720	0	0	0	1332	0	0	0	0	1668	0	0	1489	1967	Phytochemical	0.25	0.75	0.05
20	C20 H15 O5 N1	350.1023	350.10272	0.05151051	350.10233	1578	2637	2389	0	0	0	0	0	0	4421	6153	0	0	0	0	0	1385	0	2301	0	2174	3202	0	0	0	16867	0	4139	0	0	0	0	0	0	4920	0	0	1140	0	3121	12104	0	0	0	0	1750	8198	0	0	0	1585	1557	0	0	0	0	0	0	0	3152	0	1567	0	0	1998	0	2415	0	25173	9414	26904	0	0	0	0	0	0	0	0	6737	0	4460	0	0	3779	0	1699	0	1819	3467	0	0	0	8178	6704	0	0	0	0	0	2110	0	0	0	3263	0	0	0	0	0	Phytochemical	0.25	0.75	0.05
14	C13 H19 O10 N1	350.1082	350.10876	0.17706603	350.10825	3301	3380	4351	0	12282	8927	0	0	19502	0	5062	3022	31506	7727	2729	0	3522	28137	18204	0	4464	0	6530	0	0	0	0	0	1868	1642	1839	0	3741	1209	3488	1612	2643	3353	0	0	0	10539	0	0	0	0	0	0	1961	0	0	0	9293	0	32447	21701	5672	0	0	0	0	0	29539	31397	5092	12747	11250	0	0	0	0	0	1720	0	5958	0	0	1753	0	0	3006	1695	0	0	15886	6671	0	5230	5712	0	0	0	2104	0	0	0	5309	6166	16705	10981	13940	5989	3031	0	0	3227	11803	0	0	39428	A-Sugar	0.7692308	1.4615384	0.07692308
12	C13 H19 O10 N1	350.1082	350.10873	0.10573081	350.10822	6928	7526	0	5977	23748	20896	0	3909	38596	0	6531	7434	61753	10778	7060	3756	8720	42521	45729	4299	11819	0	13033	0	0	0	0	0	3874	3117	3818	0	6531	2575	6692	3470	10868	3567	5626	0	0	18484	633	0	0	0	0	0	2826	3539	5191	7320	22027	0	79055	41066	13465	3841	0	0	0	7215	70344	50383	10003	37041	15643	0	0	0	0	0	2603	0	5961	1559	0	7533	4695	0	1667	0	0	0	34197	8293	4292	13485	17116	0	0	0	0	10722	0	0	6263	9697	27379	27890	28774	6253	3209	0	0	4331	32857	0	0	84840	A-Sugar	0.7692308	1.4615384	0.07692308
6	C13 H19 O10 N1	350.1082	350.10886	0.13222024	350.10822	3706	3678	0	3412	13136	6691	1640	2769	12939	0	3269	2500	41824	6389	3085	0	5270	23631	19520	0	6148	0	4822	4528	0	0	2199	0	2389	2739	2079	3231	6385	3049	0	1610	3806	3954	0	0	0	8493	0	0	0	0	0	0	2558	2305	5589	5310	9912	0	18373	25505	7261	0	0	0	5510	0	24793	16974	6835	14811	7025	3632	0	0	0	2839	2535	2800	3688	1963	0	1572	2390	0	2621	0	0	0	21289	6999	0	8476	6074	0	0	0	2568	1892	0	0	3473	5791	10463	22871	33916	5736	2309	0	0	0	18137	0	2539	27620	A-Sugar	0.7692308	1.4615384	0.07692308
10	C13 H19 O10 N1	350.1082	350.10873	0.15700492	350.10822	16413	9656	12529	13486	30334	19646	0	3298	50139	0	8534	9274	106234	15725	6512	0	10754	60317	49379	6579	12558	7970	11526	4250	0	0	2309	0	4691	3761	4040	5717	10316	3042	7004	4264	11006	4437	6438	2988	7026	22381	0	0	0	4564	0	0	4911	6111	13112	10940	23899	0	76431	60019	13699	4467	0	4786	0	3984	79338	58308	12895	43991	19540	6471	0	0	0	3261	3823	4988	8642	3913	0	6116	4041	0	4172	0	0	0	48234	12660	4573	20651	17539	3533	0	8285	5815	8254	5555	0	13494	13291	27147	45339	49063	17486	8225	0	0	7381	40544	0	0	95663	A-Sugar	0.7692308	1.4615384	0.07692308
6	C21 H19 O2 N1 S1	350.12094	350.12173	0.25733495	350.121	1012	823	0	0	0	0	0	0	0	0	0	0	734	0	0	1062	0	0	0	0	0	0	0	0	0	0	0	0	0	661	606	0	0	0	0	0	0	0	0	0	704	0	0	0	0	0	0	0	0	0	771	1061	0	0	884	481	0	0	1417	995	0	0	0	0	0	0	613	0	0	0	0	0	599	0	25129	0	0	593	851	0	0	474	682	0	0	0	0	0	0	0	0	0	0	0	1426	0	1046	802	657	984	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0952381	0.9047619	0.04761905
2	C17 H19 O7 N1	350.12344	350.1241	0.07971781	350.12344	13268	16059	12284	13474	19943	14402	6588	12520	24636	19527	26699	12252	38578	10948	10516	3848	14432	19783	24033	14993	35443	24134	13937	10241	3620	8099	2757	15386	11422	7544	11085	8899	19076	8057	35065	8383	13504	8442	14109	15534	33002	12291	464	671	863	9140	17139	586	10602	7886	13204	14178	16368	611	26360	19194	9930	14926	7194	13965	6864	11109	39353	28422	11587	32569	14309	18953	15621	15361	27279	11941	10383	8316	1796	9804	569	8648	12039	8113	10278	8701	5771	6632	19634	9661	12072	15445	13173	20568	6779	12466	18331	22478	9300	1211	15389	15772	17413	25638	21069	10455	10602	9909	11518	14130	15265	440	8557	32807	Phytochemical	0.4117647	1.117647	0.05882353
4	C17 H19 O7 N1	350.12344	350.12408	0.10553534	350.12347	36005	40944	34480	33718	32410	20721	11553	27266	48305	69333	57505	18283	71928	19757	21077	27080	27963	43665	49551	62568	85782	60898	26395	29697	9917	30721	14136	27002	18841	18790	20154	18466	29875	15090	95758	21867	25829	19841	40311	47871	87921	24375	941	692	855	37993	68836	692	23609	24088	32864	31374	27374	771	115026	47057	18861	24190	23035	39285	25880	42414	140338	51511	17017	43553	23335	34499	65395	44478	78303	18698	17403	17980	9901	17486	526	16461	23070	29238	22116	28818	17324	20007	50730	22450	20805	26979	25560	33915	26778	30535	41028	47225	48637	1610	30725	36980	38410	54793	47084	30426	16697	35347	33820	28334	35583	715	14438	71319	Phytochemical	0.4117647	1.117647	0.05882353
14	C16 H19 O6 N3	350.13467	350.13507	-0.08544441	350.13464	49616	41622	54430	61202	43078	38154	50334	70735	29344	33676	25978	40896	43246	28478	53326	53756	76957	76222	79864	34620	29931	74270	0	57110	58166	35949	46668	30050	43808	35400	46128	28718	59974	48147	52356	39054	59368	47460	77270	46275	43293	42950	0	0	0	40510	46754	0	52250	40258	46508	44610	41168	0	40980	15846	0	83980	51986	35310	56858	36506	38186	38804	26802	44690	37604	86600	0	44762	44655	41470	33062	30702	37802	35196	0	37476	54674	48350	52946	27810	45522	25468	23148	26734	72244	56842	46958	131764	65844	78360	137962	41178	41358	0	48525	60388	22184	20492	20368	74378	38388	64342	0	79510	28168	0	63124	53842	Peptide	0.375	1.1875	0.1875
4	C16 H19 O6 N3	350.13467	350.1353	0.06635946	350.13467	39429	44378	38800	37863	19859	17922	21254	46053	23970	32415	28302	29961	25880	8787	29487	45804	59539	33898	34223	34479	44612	62377	36408	45559	20464	8527	26974	22962	26677	31598	36805	31501	38858	28767	47662	35135	41926	32754	80077	45458	66823	24985	0	0	0	40429	64363	0	37468	39621	37209	35552	20732	0	30408	17432	15281	39367	34223	46881	43027	34037	32287	26913	20866	28250	21729	64887	15139	18934	22729	32829	28754	0	19129	30618	0	25284	34037	57520	32844	27749	25138	19829	26579	21039	32942	29319	28178	76467	132126	76925	66791	39089	38540	0	38102	40002	22220	25844	24272	42141	26161	54935	31863	43878	21021	0	24120	0	Peptide	0.375	1.1875	0.1875
2	C16 H19 O6 N3	350.13467	350.13535	0.054020386	350.13467	22149	21898	20246	17931	18089	19054	14715	22500	22143	12698	17541	23186	27748	8868	17198	6564	31486	24289	28428	15624	27182	32866	23014	18396	8500	2813	3336	15559	22139	12842	20331	16193	30960	17369	23213	16464	21805	18849	36822	15862	28690	21102	0	0	0	12926	20855	0	22196	14306	18398	20299	18342	0	24471	12429	12917	25151	12591	20693	7536	12730	30582	24247	14315	28032	19843	42320	8187	9992	15169	19292	18281	13211	3503	15578	0	14446	24025	31398	17587	10048	11454	8388	16655	14055	22654	25033	20407	61379	25266	31245	47520	22647	3991	0	24642	23080	13398	16654	15256	16071	17579	15739	12487	29409	12928	0	17394	34005	Peptide	0.375	1.1875	0.1875
16	C16 H19 O6 N3	350.13467	350.135	-0.18928917	350.13458	10694	6933	9851	9554	10052	5428	6411	7065	6675	6070	2682	7012	9327	4559	8670	8071	13626	10405	10838	6625	9691	21818	10908	13291	10597	3556	7364	5922	10401	4928	9499	7938	17018	6920	8874	6503	13158	8806	12790	10481	11770	7135	394	0	0	7022	5591	0	12052	7115	9735	9973	7988	0	7377	5281	5345	16129	9399	8295	12509	5331	4253	6517	5096	8194	7576	16684	5277	7311	9285	10704	5605	4689	9624	6278	0	7687	16115	4516	10448	6659	5491	8333	5262	4885	13039	9507	6042	25379	10198	13152	0	7633	13207	0	7387	9975	5321	6091	6626	14626	7052	7041	4587	0	8057	0	11168	10150	Peptide	0.375	1.1875	0.1875
10	C16 H19 O6 N3	350.13467	350.13516	-0.006841348	350.13467	0	70685	64967	0	33230	35350	53993	0	30950	69108	38525	0	37473	18717	0	86348	73533	50545	61531	66640	65989	0	64835	0	0	14661	56063	41645	0	63111	57463	81348	85931	67053	82130	68735	88040	59394	94115	80305	94967	40014	890	0	0	67735	72445	0	83257	0	71578	65740	41559	0	49261	21225	26789	0	80181	72004	91406	58790	0	37787	29287	47402	40600	98156	22657	35243	33642	76428	65565	59845	59229	64556	0	0	0	46872	0	49580	62761	35557	31346	31496	0	49502	0	0	89245	92034	0	59415	67865	0	0	59520	23970	23416	19933	0	0	80995	44085	0	26466	0	0	55384	Peptide	0.375	1.1875	0.1875
12	C16 H19 O6 N3	350.13467	350.13513	-0.03774559	350.13464	40126	47248	36100	40689	25877	25383	41498	0	26031	34602	19190	0	21069	13962	39628	50364	55187	41479	44755	36878	41344	85736	0	57334	0	9686	26843	28085	42523	36690	0	42593	55730	46284	47371	0	51631	0	72734	49935	53390	0	0	0	0	43429	42170	0	48407	42477	45544	42896	28824	0	33446	11719	0	53755	43116	41578	55920	0	30214	23119	20912	32795	29534	64117	0	27691	32782	41828	41554	35957	0	36492	0	34537	0	29862	38148	29940	37818	27257	20464	24322	59446	0	30586	129854	52574	64020	102863	39820	35541	0	44404	54221	17376	13892	14570	0	28461	39039	21546	59380	0	0	47397	38837	Peptide	0.375	1.1875	0.1875
2	C13 H23 O6 N3 S1	350.13803	350.13852	-0.43020198	350.13788	0	871	823	0	0	0	0	0	0	0	0	0	0	0	371	0	0	0	0	0	314	0	0	0	0	0	0	2417	445	0	0	0	0	700	0	0	0	0	835	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	423	0	0	0	0	0	0	0	0	0	0	0	0	571	0	0	0	0	661	0	0	0	0	0	0	4851	0	0	0	0	0	0	608	0	0	0	21803	13468	0	851	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.46153846	1.7692307	0.23076923
20	C21 H19 O4 N1	350.13867	350.13916	0.120129354	350.13873	1737	1722	2442	1581	10522	0	2446	0	1488	3143	8759	0	0	0	0	1748	1837	0	1916	5361	3956	3343	0	2737	0	21152	0	6313	0	0	0	0	0	0	0	0	1951	0	0	2591	12112	0	0	0	0	1611	4295	0	0	0	0	0	4321	0	0	0	0	0	0	2658	0	2586	0	0	0	0	0	0	20528	14641	27003	0	0	0	0	0	0	0	0	5764	1648	0	1626	0	0	0	0	0	0	2469	0	0	0	2945	2076	0	2017	0	1451	0	0	0	0	0	0	0	3192	0	0	0	Phytochemical	0.1904762	0.9047619	0.04761905
18	C21 H19 O4 N1	350.13867	350.13907	-0.035187498	350.13867	0	1756	0	0	0	0	0	0	0	0	5840	0	0	0	0	2169	0	0	0	2984	4040	0	0	0	0	23349	0	4786	0	0	0	0	0	0	0	0	0	0	0	3785	5366	1452	0	0	0	1452	4433	0	0	0	1747	0	0	0	0	0	0	0	0	1602	0	1405	0	0	0	0	1205	0	14452	15733	18132	0	0	0	0	0	0	0	0	1570	0	0	0	5180	0	0	1383	1254	1243	4004	0	0	0	0	2218	0	0	0	1811	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.1904762	0.9047619	0.04761905
0	C14 H23 O9 N1	350.14456	350.14523	0.014457586	350.14456	5942	5577	7266	4675	6064	56814	0	5761	1961	0	0	1775	5501	0	0	0	0	8219	4357	0	1522	0	1980	3547	0	0	0	766	10834	2830	5300	10030	11793	122334	0	8144	11749	0	0	0	0	5264	0	0	0	0	0	0	12085	3256	4839	5748	2857	0	2438	0	0	4479	0	0	2923	0	3361	2770	1254	9169	5935	2474	0	0	0	114527	62310	7340	0	6423	0	2123	0	1112	0	0	0	0	0	0	0	29590	7642	0	4391	3004	0	0	0	0	5749	4928	772	0	0	4873	0	0	0	0	0	0	0	7065	A-Sugar	0.64285713	1.6428572	0.071428575
16	C14 H23 O9 N1	350.14456	350.14502	0.06525954	350.1446	15994	11222	13196	13029	10030	22431	7005	15272	23880	12831	8909	8937	45429	9091	12804	9657	10562	33024	31319	11498	10420	13815	14576	9890	5148	0	6507	0	13250	9570	10517	12881	17915	16703	8836	14129	12466	9301	7274	4353	7044	12519	1147	751	889	4344	4003	685	8121	9265	11646	11371	15707	632	45167	19758	10141	6725	7216	5398	0	6224	25856	22195	8883	17917	12699	6494	4608	0	6554	13224	11806	10194	12179	12249	635	10439	8483	7531	7417	3342	4332	0	23384	12898	7876	11280	12612	0	0	7252	0	6432	5462	799	9019	14224	13698	15039	15025	20219	7277	5917	0	0	17775	1082	5615	39354	A-Sugar	0.64285713	1.6428572	0.071428575
4	C14 H23 O9 N1	350.14456	350.1451	-0.07684769	350.14453	10134	47833	39922	8032	8066	25760	25036	42463	30322	0	0	25790	45748	17254	8122	42668	42786	17034	10881	3621	63432	6870	7985	11577	5397	33152	28267	21172	10200	10970	31008	12574	11136	34329	0	34784	12939	24538	17878	0	1559	9023	950	0	0	4814	0	0	39336	10343	10295	8571	6696	0	11362	10790	17047	10758	5525	3015	44371	0	11549	9838	7356	19908	9152	14607	0	34964	51348	19060	32557	14451	19875	27388	0	8369	7034	7568	5098	3940	2044	0	13752	6971	8593	31446	8118	12963	45491	42358	84637	38052	47792	0	9822	41352	7377	9864	13096	10469	23160	4498	0	7515	11117	0	4549	15013	A-Sugar	0.64285713	1.6428572	0.071428575
14	C14 H23 O9 N1	350.14456	350.14505	0.029583277	350.14456	23676	139887	22493	26512	43447	137218	20026	142095	101846	155491	82333	16283	126849	55828	118025	162230	35835	98968	80062	301724	167547	223455	126679	184899	131433	194535	9073	84356	32269	27281	124467	22984	47319	136843	223810	138941	188803	25865	171463	145277	334032	118797	0	620	531	120512	12103	420	20209	24312	133997	19770	41851	619	247787	109778	20089	18836	24578	77293	0	22187	84598	138635	22322	142629	43243	146087	0	327461	319546	136800	18485	31029	130913	21112	495	21505	18155	0	126964	86971	104415	97614	64941	44800	24334	120022	33362	10973	145045	172147	431954	194876	314831	747	139181	139771	48264	50466	129865	43709	18895	179719	0	18373	64629	601	10462	105211	A-Sugar	0.64285713	1.6428572	0.071428575
12	C14 H23 O9 N1	350.14456	350.14505	-0.013445658	350.14456	20119	19768	25091	19337	54996	47967	18303	32128	105034	19966	16679	23425	127886	25046	30586	14091	33419	110254	95857	25952	41660	16196	36364	19498	17380	0	8087	0	40421	19490	23164	15758	43335	20637	38410	25517	26635	27082	30537	12754	14376	36978	1470	0	461	15540	14730	0	18712	21135	17231	21017	51553	642	188808	83164	31079	16124	23815	0	0	17650	90729	95209	28008	77740	42668	26859	0	10262	11698	16911	18649	23469	21010	14493	258	21563	26415	29432	20028	10373	9138	7552	65878	37534	27100	25078	38613	15469	14189	24880	21692	22931	10417	507	22612	41537	57807	56994	70382	25751	25560	0	0	22112	75743	0	14179	115716	A-Sugar	0.64285713	1.6428572	0.071428575
12	C17 H23 O3 N3 S1	350.1533	350.15317	-0.18960382	350.15323	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1308	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1351	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1426	0	0	0	0	0	0	39323	18339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.1764706	1.3529412	0.1764706
2	C18 H23 O6 N1	350.15982	350.1605	0.058445796	350.15982	58977	56599	47552	48928	25354	32702	40769	77746	27459	64368	46677	51059	39901	16514	45361	58354	130950	40241	44711	71864	209270	72889	48174	53227	25642	38772	24325	36236	64509	45061	56593	58138	75911	55519	90197	60739	58666	41126	152306	126906	157520	31807	1076	690	872	40367	110580	619	64949	56480	49448	49055	29601	965	37837	18932	16766	72568	26551	81824	50886	73358	33498	35217	14469	37370	38555	172736	50200	125260	83113	58327	56110	54657	76369	57295	666	39808	48844	43094	88122	29156	31239	29938	24694	20223	81694	30836	31768	66046	46906	52219	74635	51969	53311	1494	57909	56788	22333	21597	23602	54365	42073	69053	31371	78031	19566	538	71796	36397	Phytochemical	0.33333334	1.2777778	0.055555556
22	C18 H23 O6 N1	350.15982	350.16022	0.059139058	350.15982	49998	49054	42614	52978	52284	42510	22207	43621	45192	89718	65927	29840	52964	40720	35040	50910	36571	56929	58109	95126	105081	64755	43407	65423	31347	91284	18477	57837	48573	33723	35309	43802	43453	48754	81868	35372	53600	28281	35316	85064	84234	35626	10450	4974	7819	50352	53039	4406	47151	40834	46539	51213	50094	6324	52387	43687	28274	45162	29803	32372	43513	66989	56645	43882	22120	53021	44685	31024	93649	111407	119078	44603	38478	34360	31137	35451	6219	28033	42543	46815	32924	37198	27637	51530	44203	37728	40674	42116	41734	43403	54001	57111	50776	48801	87547	6348	50075	57421	37981	43660	36502	47517	26399	47921	41767	49702	34444	5923	30425	64933	Phytochemical	0.33333334	1.2777778	0.055555556
18	C18 H23 O6 N1	350.15982	350.16028	0.09368138	350.15985	278642	264942	274194	253407	198322	158099	159083	272220	156891	471080	273984	147170	252115	123206	174823	281376	187383	256725	307416	548851	550619	367670	202799	300873	175488	495689	137464	263681	263754	214213	187518	240781	276085	231205	482663	229039	295255	144747	195823	450903	416883	184009	7126	2007	2503	269324	254977	2333	255644	210558	262900	258283	180523	3336	225943	170203	116177	273995	187372	182839	275823	303511	232168	157975	93568	232022	185741	202540	425709	579759	576710	236706	181040	201828	194171	216304	2188	156779	200724	245743	167766	196590	172340	270168	177252	135970	199296	193314	173720	247466	322878	357636	376525	223490	409958	3917	260702	263181	133941	148029	167785	302862	124974	314929	147282	238763	134204	2462	174126	247528	Phytochemical	0.33333334	1.2777778	0.055555556
20	C18 H23 O6 N1	350.15982	350.16025	0.0861981	350.15985	310486	295000	286324	247290	259584	210575	162852	239666	228719	536730	374464	148212	335883	192430	192288	286611	205230	332382	318726	557540	577670	390828	204966	320634	193220	572630	132310	300834	258669	198266	199638	223424	297516	258748	509968	219186	312867	132652	184076	470614	467246	205124	15376	7746	6250	276710	271862	7306	244328	204400	271079	299188	231658	7626	245396	200903	140926	267627	186988	178122	289656	304126	277772	194372	115114	271556	215514	203380	483518	542894	700974	240640	223654	186240	214803	191924	5488	155428	207518	282278	150002	159620	172286	348778	198368	144796	200881	219345	200777	234625	323383	336656	365569	306630	398306	10820	262654	297750	179166	196188	209365	303288	136708	289260	198342	259244	180870	8882	169766	312226	Phytochemical	0.33333334	1.2777778	0.055555556
6	C18 H23 O6 N1	350.15982	350.1604	0.031042723	350.15982	197013	200790	368128	388882	101829	92478	189914	375020	119889	511255	188624	93931	163747	57060	251812	189546	238402	155991	205280	929692	533363	324441	125403	375240	198794	206412	182346	150308	328462	144844	315622	348200	229114	161445	630560	304440	432108	219556	163894	279356	289862	91189	2108	723	770	207663	221109	793	410620	287364	395068	404142	106920	1007	174486	72975	55889	368656	91302	253202	358530	182045	152675	113517	46672	140663	115534	316922	214182	425397	388641	153352	288010	286530	96441	273734	633	196624	106218	106545	206908	104850	196648	156785	84717	65937	236242	92069	207098	187705	357976	235544	254958	355976	604102	1214	396558	182599	63234	79328	81033	386168	197298	474332	109064	149960	68723	796	184996	169825	Phytochemical	0.33333334	1.2777778	0.055555556
4	C18 H23 O6 N1	350.15982	350.16046	0.071123496	350.15985	222868	119082	108275	104997	56851	58457	53425	121468	64163	238980	99058	66556	98675	35527	82005	106588	96597	187804	214164	232125	251619	216212	171232	107861	60150	240420	55650	90606	96280	79916	88419	91742	244172	84866	336088	98353	112737	71376	222472	174768	177100	59420	1802	941	803	127979	154577	1000	117295	104656	112419	95455	62440	924	220088	45361	34816	106644	66434	166312	108728	105627	85100	81907	28590	81612	118580	105114	125500	189119	191904	91426	82283	97006	63435	77011	658	68581	81246	95738	146496	79605	149250	172810	57545	44518	140368	53544	67052	190198	127430	276394	279136	121724	225043	1651	99170	127370	46606	54020	49343	116031	65713	178638	84258	179272	44248	944	109058	92392	Phytochemical	0.33333334	1.2777778	0.055555556
8	C18 H23 O6 N1	350.15982	350.1604	0.10220894	350.15985	816424	1096526	931850	1073900	141186	227826	652172	1662058	144459	1183888	268199	333022	186276	68522	625614	1556930	2392946	191493	282661	1253978	1371744	435265	703756	937194	766622	293023	350126	219911	2106654	1059342	990762	2168536	1268508	1963924	1693804	1675062	1227352	571108	2578376	883558	800572	571137	3265	1003	1053	335874	286678	875	3133828	1712374	1029524	1043876	424196	1424	210036	94457	150269	1033740	126864	393248	596227	239771	200538	173994	109504	442269	488172	3113044	306620	561207	581019	1038482	1138736	452200	1335003	1191514	837	555428	501021	222465	887378	408498	156574	467530	123534	164513	378769	436655	401883	325927	475052	643462	762550	525416	814720	1778	1028226	1051280	100125	114580	117319	1296288	276801	330509	129783	752916	94049	760	1173980	222605	Phytochemical	0.33333334	1.2777778	0.055555556
10	C18 H23 O6 N1	350.15982	350.1603	0.017410824	350.15982	283846	276626	261004	264770	135002	120846	176339	607496	146677	581924	239006	161180	190533	88204	177626	296294	243320	215076	234284	652772	685147	414863	181889	301730	162263	417131	168838	218138	271247	240091	224578	279096	339882	238794	716037	263321	308942	151500	586264	487447	898890	154398	4961	1381	1522	312283	285866	1401	591154	251060	285909	292947	144624	1889	218017	102501	81225	569998	179111	223810	297140	263671	173397	150355	76823	190753	153427	665286	391416	634037	561942	240960	231076	229919	238975	230856	1110	156162	194501	196492	177332	387634	187199	240277	119432	101424	184827	135446	157085	268895	238907	634068	356407	234290	407910	2758	274957	290097	95558	91682	107528	285628	145200	346401	156868	211926	100290	1808	164860	206469	Phytochemical	0.33333334	1.2777778	0.055555556
26	C15 H27 O6 N1 S1	350.16318	350.16327	-0.031708952	350.16318	0	0	0	1965	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16484	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2250	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10135	8395	0	0	0	0	0	0	60039	0	0	10611	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23366	0	Organosulfur	0.4	1.8	0.06666667
2	C17 H23 O5 N3	350.17105	350.1717	-0.013613275	350.17105	41602	41432	36652	37423	14041	25013	35363	53392	15994	28096	23110	37083	16840	8312	46352	24027	52067	25451	28649	35009	46804	56808	40044	43017	28404	8295	15741	42780	49443	33985	45061	43488	58230	41849	42545	44123	50556	37377	58105	42092	46131	20073	0	0	0	28608	32788	0	46981	34465	37637	40480	21488	0	23944	8863	15667	48212	25000	28476	25564	21756	16300	17835	16144	23850	28767	77854	10734	19395	20510	43464	41529	40503	21043	36994	0	31516	43748	296613	36905	18302	29516	19864	10697	18389	39832	28125	26167	90032	123326	110802	90185	54748	19370	0	40814	42316	13133	8912	8634	38194	35111	49094	21559	46893	11347	0	37113	21073	Peptide	0.29411766	1.3529412	0.1764706
6	C14 H27 O5 N3 S1	350.1744	350.17468	-0.20560423	350.17435	0	1294	0	670	0	9459	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8026	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	759	0	0	0	0	0	1242	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45731	0	0	0	0	0	0	0	0	0	0	37934	9308	0	3482	0	0	1479	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35714287	1.9285715	0.21428572
0	C14 H27 O5 N3 S1	350.1744	350.17477	-0.21875356	350.17435	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	70870	0	0	0	0	0	0	0	0	0	0	16120	5050	0	2074	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35714287	1.9285715	0.21428572
4	C14 H27 O5 N3 S1	350.1744	350.1746	-0.23161747	350.17435	0	0	757	708	0	5174	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10009	0	0	0	0	0	0	0	0	923	0	0	0	0	0	0	0	0	0	0	0	0	0	1193	837	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47018	0	0	0	0	0	0	0	0	0	0	52530	18908	0	3967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35714287	1.9285715	0.21428572
8	C14 H27 O5 N3 S1	350.1744	350.17465	-0.026680863	350.1744	0	0	0	0	0	0	0	0	0	1078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2037	0	7968	1190	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1036	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13820	0	0	0	0	0	0	0	0	0	0	29489	0	0	2034	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35714287	1.9285715	0.21428572
2	C14 H27 O5 N3 S1	350.1744	350.1749	-0.20852311	350.17435	5194	3660	5444	3685	0	33608	0	866	0	0	4163	0	0	0	1453	267	1212	0	0	0	0	0	355	0	381	0	0	135015	834	473	665	0	2441	0	0	0	1455	593	1213	0	0	0	0	0	0	0	0	0	0	0	4137	5107	610	0	0	0	0	1277	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	768	0	737586	0	0	0	0	0	791	0	0	622	0	168737	84576	0	28491	357	0	4360	4321	1051	0	0	593	0	224	0	0	0	0	0	0	Peptide	0.35714287	1.9285715	0.21428572
18	C15 H27 O8 N1	350.18094	350.18143	-0.04404751	350.18094	5394	2708	0	1719	4599	4887	3073	2245	7163	0	0	2307	13286	5636	3891	0	2435	5944	6558	0	0	2494	1256	0	3100	0	0	0	4127	2463	2678	0	3174	0	0	3856	2960	3184	0	0	0	2688	1108	0	280	0	0	0	0	1759	1894	2701	3304	373	23462	5946	1126	2431	1549	0	2021	0	3602	4415	2472	6974	3646	4574	0	0	2051	1261	2531	2808	1586	0	290	1297	0	0	1189	0	2203	0	2498	4611	4609	1603	2157	0	0	2014	2873	0	0	0	2016	2719	4511	1475	4375	3096	1278	1761	1373	0	4033	0	0	7245	Lipid	0.53333336	1.8	0.06666667
16	C15 H27 O8 N1	350.18094	350.18134	0.018514443	350.18094	4804	4452	3673	4060	6136	4513	4938	4899	7419	0	1404	1781	8836	6525	8092	0	2345	9873	8791	0	0	1966	5367	0	5845	0	4135	2215	7758	5078	5158	0	7120	4518	2065	6011	5524	4185	2354	1373	0	5090	957	0	0	0	2432	0	8160	4744	4407	3946	6919	0	21104	8160	4372	6366	0	0	0	1465	7664	7376	3267	10696	7808	3555	0	0	0	4109	4070	9324	3199	3601	0	0	3354	0	3977	0	5775	1806	6552	6733	7244	3436	5335	0	0	4500	0	0	0	0	2574	5462	6583	6757	9237	7844	2808	0	0	0	9263	0	3117	9980	Lipid	0.53333336	1.8	0.06666667
12	C15 H27 O8 N1	350.18094	350.1814	0.003790311	350.18094	4619	0	4950	0	8233	7778	8242	11446	11063	0	0	3721	13033	6824	14145	2892	5844	14270	16687	0	0	0	13479	0	12044	1727	0	0	15867	3758	8924	5855	13760	6067	0	6849	7635	9936	6376	0	0	7614	690	0	0	0	0	0	4499	6238	4586	0	9205	0	22249	13219	7597	5796	0	0	0	0	13602	11638	7330	11049	8884	8493	0	0	0	5730	7911	7321	3959	3940	0	10184	8305	0	6664	3118	10160	3309	13983	10075	13198	3995	9767	0	3985	7661	10682	0	0	0	6719	5218	7430	13919	13228	6905	5556	0	0	7547	9108	0	8341	13254	Lipid	0.53333336	1.8	0.06666667
2	C15 H27 O8 N1	350.18094	350.18155	-0.107303135	350.1809	10512	9301	7782	9000	11316	0	38704	5383	8424	1796	0	5724	11115	38790	4432	2742	6351	10404	22632	0	2810	3749	2875	4528	2857	0	25050	2758	7415	5062	6888	5805	14127	6615	2873	6335	13536	7333	6954	1756	1596	15065	0	0	0	2000	2771	0	7094	3136	8479	8313	13999	0	5070	5210	10060	4546	1506	1181	4140	914	5013	4937	0	20952	13561	6301	3678	0	0	6374	5561	4699	3175	4393	0	8677	5592	6683	4466	0	0	965	9189	73808	7314	40341	45276	14165	11340	11282	11154	5704	0	0	9935	8192	7039	4112	6316	11030	6454	2417	1004	4383	6996	0	2712	11008	Lipid	0.53333336	1.8	0.06666667
14	C15 H27 O8 N1	350.18094	350.18146	0.020078475	350.18094	4493	0	0	3584	5959	9363	7413	5885	10298	0	0	3465	16795	6477	11231	10082	6355	13038	12224	3352	0	0	9146	6561	6366	2509	5564	0	14525	7005	3619	0	12699	0	2113	10185	8200	8790	5548	0	0	7808	0	0	0	3246	0	0	3394	6598	0	3529	6018	284	22117	11372	5329	8781	0	0	0	2162	10822	7279	12783	11525	8950	3122	0	0	0	4649	4897	9332	8305	4157	0	3982	5721	0	4388	0	6890	3454	14170	9886	7757	0	6315	0	5176	3836	7506	0	2026	0	2159	8105	6211	9428	11858	8273	4642	0	0	4198	9355	0	2581	9600	Lipid	0.53333336	1.8	0.06666667
12	C19 H27 O5 N1	350.1962	350.19672	0.013856149	350.1962	71850	72976	74855	75817	36041	33456	76295	104322	28375	85209	58852	57756	29877	20718	60840	97509	95389	39405	59160	140721	137581	106364	63150	103286	55649	92003	56682	47150	87316	77934	80034	89709	108511	83813	142520	92002	87950	59252	118833	108586	109841	36130	1188	389	435	94419	93365	557	97548	95684	74311	75780	36840	412	39159	22169	25099	115403	18241	67383	83755	48266	42339	27571	20569	41408	42525	120176	63851	136232	126807	78295	77222	91408	86006	83196	359	57379	66665	62260	60887	39285	39162	63167	29977	28075	71790	37555	40866	146375	97275	73855	122143	64186	86999	0	82857	92203	22566	25208	27289	90627	56259	78187	30210	83140	27115	370	72180	44231	Lipid	0.2631579	1.4210526	0.05263158
6	C19 H27 O5 N1	350.1962	350.19678	-0.032947484	350.1962	154409	168136	144238	162248	37516	61157	126245	278300	31855	218380	90211	133764	42071	25340	159045	258441	150144	55475	85377	263481	247235	185406	134087	258486	161233	94955	120172	82108	224458	223245	239827	285231	266073	230524	272215	239177	259606	133527	216552	162101	118354	61136	981	356	275	166051	124799	0	305941	239218	170550	165603	57250	398	43865	15206	32503	242365	13734	28741	252610	83583	34309	32619	29485	52590	79341	236909	71886	197677	155910	252054	230581	245342	158702	216456	0	146296	115939	78398	111280	36559	46687	109689	21597	35905	112133	70721	86543	181966	199874	120262	317909	96628	187189	473	160764	157376	18998	19387	22819	240937	139538	227902	56648	232653	19748	0	149921	45706	Lipid	0.2631579	1.4210526	0.05263158
8	C19 H27 O5 N1	350.1962	350.19672	-0.044682324	350.1962	214534	230599	214513	212568	40262	67214	153785	408865	33289	182491	108933	299655	39477	21361	216860	620798	288434	58513	118806	242319	220877	179955	229073	368282	280793	91939	151409	80464	266059	276402	336950	328554	350223	275926	255773	255607	339635	221796	319401	166886	129869	100389	540	328	0	158696	117756	323	444050	352265	204114	217109	128062	329	41055	19479	62015	417967	8504	45100	530446	73647	45908	40359	65639	115205	111927	407968	88052	185336	161145	356990	289614	223049	255466	296745	0	270939	347222	137343	206408	45726	34574	104545	23717	42475	404595	85142	124241	200081	206148	117345	262099	106656	174667	561	209473	213358	24339	18303	23293	330242	253801	180446	47992	266018	21053	0	373215	61889	Lipid	0.2631579	1.4210526	0.05263158
22	C19 H27 O5 N1	350.1962	350.19666	0.06320353	350.19623	271446	266888	248458	280872	287726	229322	154990	299928	208036	413714	285750	180350	249310	148994	207014	337204	285894	324072	270408	585356	599982	297018	217230	315856	205864	441084	174308	258294	281566	269718	220354	283156	326840	292216	405104	344804	348224	166456	268784	344562	343118	193072	13320	0	2676	267652	272742	0	299060	246676	264538	287290	230866	3678	250282	223376	155800	288918	201396	216150	315846	243334	234368	211590	111168	265238	227902	264744	402028	495578	540906	298490	251456	218216	237062	247330	1664	202376	218108	224992	155948	180554	172044	239176	234954	168206	228174	253566	211450	294738	392426	360398	326926	244054	376574	0	262218	303997	220060	239884	258158	370414	163892	318514	188312	279404	234644	0	176486	247664	Lipid	0.2631579	1.4210526	0.05263158
4	C19 H27 O5 N1	350.1962	350.19684	-7.14988E-4	350.1962	114665	120317	114335	113328	18248	47617	79768	229081	17416	120275	53277	98998	15963	12471	133361	223846	130128	29085	49558	161848	143250	161745	109219	268749	176946	58344	91667	45662	153156	129638	145254	156277	150356	128942	158629	176090	140396	112120	140779	126134	100947	45168	789	405	376	155596	114059	414	182112	183820	115081	97995	31140	346	28715	8962	21834	202525	17961	24174	192556	68146	20431	22175	23183	30837	41942	144680	45316	88751	71305	160033	136913	184413	122952	138221	280	116492	122608	78552	94310	40280	57938	75234	14081	24973	125370	39511	50592	163842	138092	91746	242754	91572	160603	955	104511	125638	14606	9429	11832	134243	88498	208367	62195	157995	12880	316	135118	23084	Lipid	0.2631579	1.4210526	0.05263158
10	C19 H27 O5 N1	350.1962	350.19672	0.036297735	350.1962	227636	196080	217758	215408	31012	41456	288029	277664	30894	209499	100076	232442	36730	22864	141751	251997	434923	55692	89669	444565	379441	134911	121977	178956	99664	84435	272954	98533	364115	329408	281742	449115	483086	373713	247899	365632	415915	137777	517948	230292	278729	97414	1030	0	467	91933	78003	0	402571	250675	221835	220792	64287	674	35160	18762	48559	242021	22567	439198	227332	114298	28710	34733	41481	62884	60822	489994	75918	138573	129986	297610	340489	306137	350140	322966	0	186809	138645	72846	117488	27295	256049	157993	30187	53632	109090	107441	121413	168711	198257	145287	179285	77433	138062	831	219683	222397	21720	20913	22782	493866	184688	801015	20375	170598	21913	0	127228	43334	Lipid	0.2631579	1.4210526	0.05263158
24	C19 H27 O5 N1	350.1962	350.1966	0.060813166	350.19623	37994	42383	40237	38995	51116	31868	16863	35977	33184	62720	44967	24685	65454	31356	26114	42426	29168	47390	59507	83842	83401	38703	30917	41967	20161	71872	19228	46382	30558	33601	27606	39162	37791	37120	71286	35710	35982	18789	32554	60044	55683	27044	3864	0	0	39729	35579	0	37506	27618	37440	37215	37351	0	44220	35727	20123	42002	27376	21343	46672	43746	34962	30974	14794	58291	34198	32842	71009	84242	96249	34150	28952	28555	26340	31328	0	25888	24338	32268	19383	22353	22443	39289	35732	23074	29296	28650	28048	41523	46645	48286	47058	32999	53986	0	41733	42607	35841	37968	44587	44559	21002	49078	30869	39524	30294	0	27821	39191	Lipid	0.2631579	1.4210526	0.05263158
2	C19 H27 O5 N1	350.1962	350.19684	-0.036781393	350.1962	37195	40073	35323	36752	4678	14050	37625	75769	4154	36983	19111	39418	5274	4866	44154	50865	52484	10029	13057	46386	48907	40169	30632	52864	32110	20543	33271	17876	61921	53966	58300	60395	52896	47477	41493	65544	50934	30967	56765	44314	43867	15320	375	0	292	36115	45345	318	62270	62602	35409	37822	10719	0	8250	2876	7329	49215	10974	12345	47493	23590	4740	8017	7426	8376	15413	65523	20910	25886	33153	52363	59612	76084	48508	54866	0	38160	32922	27222	32929	19891	22557	28704	4937	7786	28219	13034	18096	59425	36853	34152	66112	28703	49865	418	35811	44387	4700	3677	3751	46705	34595	72410	21589	43328	3287	0	30263	6486	Lipid	0.2631579	1.4210526	0.05263158
14	C19 H27 O5 N1	350.1962	350.1967	-0.001154357	350.1962	99327	114171	106308	99326	55180	56491	90289	126667	42156	113294	76255	82512	61547	36892	80418	153791	167545	64400	79638	176336	186571	121699	85669	155573	93882	176889	86206	72386	122019	112719	87957	113512	129721	113167	132103	124416	112244	73354	165166	128073	158790	60517	0	699	510	100864	132789	921	126146	107546	101282	103135	59247	784	63104	49289	39691	142138	61055	110771	129578	74821	60058	53766	35593	62320	64446	161242	131608	164767	193477	113835	105814	117551	150120	108498	399	75980	89132	85175	82670	62487	70218	88856	60652	48029	96593	64786	71240	200704	120777	96545	179435	95842	125536	825	105808	114364	44194	54241	64426	134370	74185	135303	51023	113669	54174	657	95473	49920	Lipid	0.2631579	1.4210526	0.05263158
14	C16 H31 O5 N1 S1	350.1996	350.19992	0.15773195	350.19962	0	0	0	0	0	0	3519	0	0	0	0	0	0	0	1551	2636	0	0	0	0	0	0	9434	0	1906	0	0	0	0	0	0	0	0	0	0	0	0	1811	3669	0	0	0	0	0	0	0	0	0	0	0	0	1678	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3548	0	0	0	0	0	0	2637	0	0	1136	27149	0	17975	0	0	0	0	0	12603	0	0	38490	5294	0	5989	0	0	0	0	0	0	0	0	0	2004	0	0	0	0	0	4319	0	Organosulfur	0.3125	1.9375	0.0625
8	C18 H27 O4 N3	350.20743	350.20792	-0.057861768	350.2074	24864	22903	22520	20162	2713	9832	5243	13536	1337	9774	7789	5131	1621	0	6160	24690	5011	3140	3459	6978	8351	24453	5867	24599	8547	8111	5115	44272	9757	6576	8486	11432	9938	6814	6638	7231	11742	4431	9045	8720	5672	6221	0	0	0	11533	7354	0	10360	8939	18172	21226	2862	0	1719	530	1878	25098	0	1436	14923	2868	1259	982	3514	2439	3439	8318	0	7714	3647	9605	8667	6531	6733	7119	0	5690	5775	119337	4128	1382	992	5674	906	0	7278	3651	5107	87583	1101710	466692	68520	43021	21726	0	22670	20432	1372	840	0	8447	5259	8429	0	19514	0	0	10708	2413	Peptide	0.22222222	1.5	0.16666667
6	C18 H27 O4 N3	350.20743	350.20798	-0.056102972	350.20743	11217	14017	12992	15467	2330	13024	6285	11271	2156	8886	7007	5439	1837	1787	9380	16317	8429	3120	4377	12830	8429	8885	7462	15592	11466	3521	6310	114435	10439	10343	10798	10493	11786	9256	9765	10481	12641	7951	8423	9264	5465	6821	0	0	0	8910	7429	0	11437	10175	16181	14081	3034	0	2691	629	2486	16176	0	615	13700	4638	2280	1913	2078	3413	4525	10558	3119	5052	8752	11803	9333	8406	7467	7228	0	7209	7699	531163	5759	1515	2919	7228	1224	2506	8211	5304	4500	24936	454133	173554	25304	27003	12927	0	12060	16830	2374	754	914	11026	7176	11768	0	12583	2094	0	8067	2771	Peptide	0.22222222	1.5	0.16666667
14	C18 H27 O4 N3	350.20743	350.20782	-0.07924614	350.2074	9070	6424	5378	8370	0	0	0	9248	0	6358	5286	3478	0	0	6100	7320	7112	0	0	0	0	0	0	15432	4986	0	6172	32172	8286	8916	5800	0	5012	0	4906	6322	5054	3126	5948	0	0	0	0	0	0	9014	0	0	7666	6178	8666	11486	3194	0	0	0	1348	7366	0	0	0	0	0	0	5224	0	4990	5932	0	0	0	6298	6338	7110	5236	9246	0	5268	5398	87702	3312	2030	0	3500	0	0	4920	0	0	12544	654200	81522	17250	18178	12362	0	11352	0	0	0	0	5538	0	6206	0	6270	0	0	0	0	Peptide	0.22222222	1.5	0.16666667
10	C18 H27 O4 N3	350.20743	350.2079	-0.17067404	350.20737	35270	36803	39554	32624	3840	28107	15003	6619	1273	7754	43790	8355	2810	2006	6450	13451	7650	4537	4338	6228	6130	11077	4149	8619	6868	17482	57640	276335	8483	5051	6674	8703	14015	8720	4947	4381	11992	10918	9522	4954	3639	10859	633	549	0	3405	6378	0	8497	6641	41586	29751	5547	537	2518	1539	3174	11123	0	0	0	2854	2369	1597	46957	4746	3194	7661	134874	7577	7018	8902	6574	8370	22069	5325	0	4035	5222	1758880	2478	1567	1458	3815	1649	2808	5608	6286	4561	10516	2415367	648254	16029	152248	29858	0	37967	33819	2880	1798	3367	10737	7275	4612	0	9368	2335	0	6556	1608	Peptide	0.22222222	1.5	0.16666667
24	C23 H27 O2 N1	350.21146	350.21182	0.10195579	350.2115	1387	0	1313	1500	6648	0	0	0	10143	0	0	0	13297	6857	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1442	1481	4208	0	11543	26867	2726	0	0	0	0	0	2722	8421	0	7113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3861	0	0	0	0	1725	0	0	0	0	0	0	1854	2378	7000	45076	36962	0	0	0	0	0	9914	0	0	1268	Phytochemical	0.08695652	1.173913	0.04347826
20	C16 H31 O7 N1	350.21732	350.21744	-0.052478325	350.21732	4003	4741	3921	4982	0	0	2153	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1916399	0	0	0	0	0	0	0	0	0	0	0	0	0	0	595	0	0	0	0	0	0	0	3199	2788	0	335	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31808	0	0	1205	0	0	0	0	0	0	0	2549	3818	0	0	0	0	7510	6344	0	0	0	0	0	0	1979	0	0	0	0	0	Lipid	0.4375	1.9375	0.0625
16	C19 H31 O1 N3 S1	350.22607	350.22675	0.28260285	350.22617	0	0	0	1945	0	0	2715	0	0	0	1241	1152	0	0	0	0	1920	0	0	2086	0	0	0	2430	0	0	1617	13550	0	0	0	0	0	0	0	0	0	0	0	0	0	0	923	0	0	1286	0	0	0	1271	0	2321	0	0	0	0	0	0	8473	9329	40373	1245	0	0	0	0	0	0	20871	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3497	0	0	0	0	0	0	0	0	0	3815	0	0	0	0	0	0	Organosulfur	0.05263158	1.6315789	0.15789473
14	C14 H28 O2 N7 Na1	350.2275	350.2287	0.9192169	350.2278	0	0	0	0	0	0	0	0	0	5935	2103	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	79496	5433	0	12724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1154	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2674	0	0	0	0	0	37963	200076	0	0	0	0	0	Peptide	0.14285715	2.0	0.5
16	C14 H28 O2 N7 Na1	350.2275	350.2284	0.6965158	350.22775	0	0	2076	0	0	0	2845	0	0	0	1850	0	0	0	0	0	2278	0	0	3686	0	0	0	0	0	1403	8292	20089	0	0	0	0	0	0	0	0	0	0	0	0	2202	1305	0	0	423	5853	4582	0	0	0	0	0	0	1222	0	0	0	0	0	7860	0	4182	0	0	0	0	0	0	53321	3251	0	0	0	0	0	0	379	0	0	27278	0	1476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2489	0	0	0	0	0	7998	4512	0	0	0	0	0	Peptide	0.14285715	2.0	0.5
22	C20 H31 O4 N1	350.23257	350.23297	-0.011410967	350.23257	83983	74497	71519	72013	59851	44883	54496	89174	37776	76772	67406	53213	46232	43073	50709	125782	119192	55873	55372	97947	94347	90863	49854	102176	71977	136042	62429	61754	102122	102062	76310	106211	106329	125670	64099	111916	95981	47245	107851	71856	101076	50448	0	0	0	61101	89995	0	92620	89696	80020	74459	49798	792	50240	47546	33089	111040	38935	76957	116686	48611	43490	45418	32983	56968	58701	112805	91214	105479	129377	106007	110251	101922	96900	104432	0	56625	64787	79853	46307	45668	54972	50532	57260	47765	85481	60615	48534	183622	126292	133289	117938	68844	106300	0	71368	84609	48170	60686	73140	128623	48749	103827	48091	94320	53987	0	77109	41701	Lipid	0.2	1.55	0.05
6	C20 H31 O4 N1	350.23257	350.23315	-0.057914685	350.23257	28894	26223	28770	25201	3478	50739	22963	61199	2973	29134	15458	24151	3073	2208	34201	62539	25432	4478	11356	40518	27640	25099	23191	49223	41259	13828	26367	10410	43625	44420	45504	48326	39314	38313	26116	42528	39493	25302	31291	21793	9503	12216	0	0	0	21280	14037	0	55568	48966	29136	25700	7415	0	4624	993	5545	54613	0	0	48994	14525	2584	4439	4858	5263	11117	38768	8673	21382	12661	45382	40976	56396	39682	35265	0	28895	19267	15398	18182	2548	2493	21351	2098	5141	24562	10210	11505	65736	51261	10002	64009	22658	38362	0	24969	27686	2991	633	1550	45494	23970	36793	9371	36361	2368	0	26186	1890	Lipid	0.2	1.55	0.05
14	C20 H31 O4 N1	350.23257	350.23306	0.025959214	350.2326	13770	16771	14999	16401	7136	5970	22144	20392	3364	14245	9477	18987	1637	2183	15334	22331	8961	2949	7394	26405	17717	9629	11320	18482	14278	27559	49004	14639	14448	14559	16876	16542	24334	17470	17923	18924	28932	9972	10397	14349	4219	7418	0	0	0	10535	9084	0	22632	14482	18828	13327	6508	0	2368	0	2093	28287	0	0	23649	3483	2601	4537	2429	6521	6128	18390	12924	38217	31691	14963	15157	13268	16669	17125	0	28561	8884	17432	8334	1346	0	9443	1227	0	15859	5347	7800	76817	45502	6045	45617	15525	32468	0	18313	12002	3773	3247	1865	19743	24072	10588	0	26541	1805	0	9590	0	Lipid	0.2	1.55	0.05
12	C20 H31 O4 N1	350.23257	350.23306	-0.029960787	350.23257	20174	20393	25840	24225	7449	9863	50974	38789	2576	25676	18993	27710	2865	6412	23567	43884	15606	5514	8119	42422	38198	12386	16763	27145	28338	33075	88534	18930	27351	25760	33662	28570	50014	25359	36132	26238	47421	19634	17986	21087	0	12462	0	0	0	18231	14668	0	41009	26265	20872	24522	10692	0	5908	1795	6258	39685	0	0	29225	8192	3943	1305	7598	9267	13267	34511	16581	50011	42058	27471	25030	24483	19770	23717	0	37355	19001	16805	13537	0	1058	16859	2099	4067	24495	8415	10478	162074	58771	9677	62079	14648	29442	0	20050	26147	3458	2189	2369	29920	25840	15705	0	42469	3576	0	21669	3397	Lipid	0.2	1.55	0.05
16	C20 H31 O4 N1	350.23257	350.23303	0.04274184	350.2326	9454	6656	8186	13072	6628	4635	8905	8683	3502	8355	11344	5918	0	1981	6284	16150	13666	0	3057	14944	11721	8823	4840	11692	7905	22161	11032	7382	6716	12458	10798	7906	10654	13057	14077	11850	12851	6899	10753	8978	5232	3687	0	0	0	5486	13383	0	14331	9991	7157	7109	6429	0	0	2174	2852	18365	0	6979	12428	0	0	1660	3414	3245	7109	12475	12427	21035	22654	11701	8338	8309	12367	7784	0	7985	7099	6468	3820	0	2034	8135	2383	2746	9706	4568	6921	32557	29139	5727	0	9002	19042	0	6331	7453	4143	2088	3774	13863	6703	9441	0	13661	2450	0	7359	0	Lipid	0.2	1.55	0.05
26	C20 H31 O4 N1	350.23257	350.23303	0.0845147	350.2326	28265	26098	26433	28500	53156	19418	12829	30467	29285	17506	29387	14179	49783	21105	14422	35000	27380	23270	39147	34212	34273	29517	12518	33252	21924	32596	13338	36142	31089	26520	19630	27123	33325	26394	33285	36640	25708	13594	29634	39409	61033	20781	0	0	0	24996	21803	0	27724	18679	25240	26598	36929	0	32498	32198	20241	28783	17420	22960	32097	28225	22478	20356	16356	44753	35209	27856	25373	18373	25888	20958	27886	26618	16752	20845	0	10725	25462	57884	17165	14736	18873	39138	33508	20430	38288	25624	19421	56519	32394	32304	37015	65544	36160	0	31191	28244	45681	46780	60239	36199	12064	34870	22922	26164	39839	0	22943	15049	Lipid	0.2	1.55	0.05
10	C20 H31 O4 N1	350.23257	350.23306	-0.0417601	350.23257	29025	31848	39105	29826	11822	13065	43286	64223	5618	41471	17139	27541	3247	6425	28376	51466	20833	8516	15193	48926	44253	27686	22180	46022	51901	27571	66345	21934	38585	37446	40652	47184	57315	36344	49247	38341	63784	22855	23083	31949	4230	14045	0	0	0	25750	16006	0	52093	40542	35917	32909	13779	0	4944	1590	6104	60980	0	0	50589	9166	3759	5739	9551	10450	13653	37409	15987	38282	31355	52069	41682	35044	30635	38425	0	31470	23583	16384	18481	2311	778	19938	2033	5619	47872	14104	16294	194374	83548	8366	100782	18845	43577	0	30871	35406	4713	2313	3107	45769	27668	32270	0	56425	3767	0	30205	5681	Lipid	0.2	1.55	0.05
8	C20 H31 O4 N1	350.23257	350.2331	-0.05684754	350.23257	38943	43484	31803	37215	6595	16619	30815	63487	5860	37363	18970	32730	2587	6719	35244	62513	32651	6768	15735	56808	43480	36597	25836	57573	49104	17327	40510	18283	47238	57552	52510	57105	55324	44928	48426	48563	59929	27580	34829	41260	8110	16331	0	0	0	27067	23311	0	63452	45648	44374	36924	12865	0	6612	1715	8357	65800	0	0	56424	15051	4289	9336	7465	8406	13699	46161	13099	32698	28404	63438	46258	73842	38281	51450	0	40762	25334	21806	19588	2313	2008	25878	2604	7111	26876	11904	18816	153075	76247	9471	119602	25475	49692	0	35720	40083	3767	1457	0	56968	34533	46548	6619	55453	3246	0	30126	4393	Lipid	0.2	1.55	0.05
18	C20 H31 O4 N1	350.23257	350.23303	0.009660843	350.23257	15896	21674	11972	13646	10363	17879	10553	16056	4341	14846	17508	14926	5240	8221	12681	24659	33428	12981	9941	19793	28095	11142	9743	22888	10244	34386	20265	21112	16714	20149	14315	19344	21462	20104	20068	20196	15020	11649	28131	12952	11223	10540	0	0	0	12240	16586	0	19966	19007	16777	16317	7472	255	2477	5470	3710	22724	3108	16431	23878	5785	7201	1303	5245	8205	9370	31430	22470	24256	34141	12117	13506	20729	29423	15121	0	12896	13318	16406	7306	6061	6296	9664	4714	5107	18678	11009	9625	53445	37897	17100	25964	15952	20119	0	15489	17653	5716	7351	8835	23676	13263	14837	6982	14903	4745	0	15136	2746	Lipid	0.2	1.55	0.05
24	C20 H31 O4 N1	350.23257	350.23297	0.00839651	350.23257	66125	64096	66527	70946	99411	57919	43480	65343	51795	53610	57605	44552	84776	60533	43815	94993	95627	76669	86803	79729	69535	62915	40318	77941	57597	97370	35606	59356	74644	69847	52952	82496	80999	70806	56055	95019	77789	37735	90242	63791	81007	46326	1735	0	0	54148	63150	0	68636	58919	66248	59399	61745	0	91696	59854	31028	86054	42286	51682	90818	39217	64634	62871	27127	87020	57929	94449	77471	93632	102575	61243	71620	71959	69063	62391	0	36863	62977	72549	35758	37244	50901	50807	65989	42610	88549	48673	50751	163986	129301	120827	97953	70356	91879	0	72735	74502	87558	91481	111407	111098	35914	86327	42019	77728	70989	0	62106	58319	Lipid	0.2	1.55	0.05
20	C20 H31 O4 N1	350.23257	350.233	-0.00618458	350.23257	49597	48961	44859	47005	41020	28419	38548	55207	25612	35421	34576	47524	20738	52469	40182	73286	92528	31406	43210	54492	59879	52421	33763	72591	54139	85482	40870	28180	59871	54825	38043	53271	53964	51386	38509	50099	61001	35045	81505	38134	61883	36509	805	0	0	38894	51575	0	59262	47815	48587	50464	39298	574	24003	21288	25198	69615	32314	55114	64911	19231	19881	23458	19579	25659	38072	76463	56472	56262	82577	39533	45080	49951	79956	45576	0	44254	48995	62176	36331	15758	36359	24263	29689	24399	66325	36559	33178	119785	81662	59697	98616	34619	44759	0	49778	56950	29783	28311	34837	73681	34869	65481	26630	74695	30163	0	63449	21331	Lipid	0.2	1.55	0.05
4	C20 H31 O4 N1	350.23257	350.2332	-0.068634525	350.23257	13026	14810	14394	14176	1314	3019	13368	33057	530	12206	6115	12304	637	727	15165	30359	16911	1869	3305	16280	15348	14069	12248	25501	19730	4766	12997	5130	23276	19572	23556	22916	20268	18903	14095	26180	20118	12856	21226	11068	8190	5514	0	0	0	11286	8232	0	24074	28065	15393	12718	3105	0	1550	279	2328	23961	0	0	25974	7938	552	1334	1869	2201	4823	20000	2554	5217	3939	22114	16952	28965	23064	17859	0	15928	13498	8158	12947	1836	3192	9088	452	2111	13842	4904	6245	26095	25234	10743	34315	11094	20184	0	13728	15201	794	0	310	20503	12077	20783	3714	16246	1039	0	14360	808	Lipid	0.2	1.55	0.05
24	C22 H32 O1 N1 Na1	350.24542	350.2462	0.59351027	350.24564	0	0	0	0	0	3116	0	0	0	1999	0	0	0	0	0	3012	2365	0	0	0	0	0	0	0	0	0	0	0	0	2876	0	2761	3667	0	0	1747	0	0	0	0	2583	2725	0	0	0	1077	7237	0	5877	19825	1097	0	0	0	0	0	0	0	0	64782	1443	0	0	0	0	2936	0	6004	0	0	0	0	0	0	0	5700	0	0	0	0	0	0	0	0	0	0	0	9380	0	0	0	0	7330	0	10429	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3842	Lipid	0.045454547	1.4545455	0.045454547
12	C21 H35 O3 N1	350.26898	350.26938	-0.02293352	350.26895	0	1467	0	1916	0	0	10949	9525	0	0	0	3484	0	0	2985	7995	1958	0	0	0	1878	0	1328	3637	6995	0	23444	0	4740	6293	0	4526	3423	5707	0	4908	1967	0	2832	0	0	0	0	0	0	0	0	0	5858	5218	1606	2173	0	0	0	0	0	4206	0	0	0	0	0	0	0	0	0	0	0	0	0	6385	4466	6499	1767	5588	0	4139	0	0	0	0	0	1804	0	0	2089	0	0	13126	0	0	8883	0	1479	0	3399	0	0	0	0	4282	1331	0	0	4165	0	0	2489	0	Lipid	0.14285715	1.6666666	0.04761905
14	C21 H35 O3 N1	350.26898	350.26932	0.05622045	350.26898	1869	2571	2040	0	0	0	2340	16085	0	0	0	26834	0	0	2604	15947	0	0	2092	0	0	0	0	0	3470	1373	8626	0	4237	14980	10296	0	2368	2339	0	2203	3312	2840	0	1774	0	0	0	0	0	0	0	0	6646	17046	2523	0	0	0	0	0	0	7627	0	0	0	0	0	0	840	0	1243	2336	0	0	0	14140	5294	18739	1962	6132	0	9242	0	0	0	0	0	0	0	0	5410	1593	1166	16929	12415	0	4744	0	1413	0	0	0	0	0	0	2395	26324	0	0	4414	0	0	2192	0	Lipid	0.14285715	1.6666666	0.04761905
8	C9 H10 O9 N4 S1	351.02414	351.02466	0.086905606	351.02417	4242	4954	5642	5164	2396	934	2048	3616	3752	0	813	1946	8359	0	2785	6591	3471	3302	6303	0	0	28893	4000	2772	5047	461	2086	0	2089	1664	1225	1779	2694	1000	0	1715	2370	4268	3148	1711	2947	2082	0	0	0	4907	6067	0	3130	2429	4916	4644	2628	0	13456	4009	1946	3724	0	1502	0	0	5683	7847	2024	0	2665	4662	0	0	0	1278	965	0	0	2236	0	1821	16071	5620	7418	6448	2108	950	7747	0	13542	1487	3427	96073	0	0	76294	4500	7197	0	6171	5574	2726	6116	5983	2030	2954	2908	0	8774	2203	0	4850	7252	Organosulfur	1.0	1.1111112	0.44444445
26	C15 H10 O10	351.03467	351.03503	0.029847395	351.0347	3537	2781	2527	0	10207	4626	0	0	8861	0	0	0	13284	9536	0	0	0	11517	9302	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2629	0	0	0	0	0	0	0	0	0	0	0	0	2530	2074	6711	0	10598	0	0	0	0	0	0	0	20029	8936	2809	10114	2738	0	0	0	0	0	0	0	0	0	0	0	5532	0	7293	0	0	0	14067	0	4891	2978	2463	0	0	0	0	0	0	0	3353	0	4428	6877	9451	0	0	0	0	0	7085	0	0	20887	Phytochemical	0.6666667	0.6666667	0.0
12	C15 H10 O10	351.03467	351.03513	0.11667004	351.03473	3693	1677	3341	1704	12525	3784	0	0	17325	0	0	0	16544	4393	0	0	0	8611	10394	0	0	0	1988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	976	0	0	0	1783	0	0	0	0	0	0	0	0	4656	2629	4910	0	9273	13735	3864	0	0	0	0	0	33182	16569	5259	18284	3115	0	0	0	0	0	0	0	0	0	0	0	0	0	1399	0	0	0	16631	3422	1872	4000	4030	0	0	0	0	0	0	0	0	0	12192	20291	16408	0	1386	0	0	0	6618	0	0	31811	Phytochemical	0.6666667	0.6666667	0.0
28	C15 H10 O10	351.03467	351.035	0.122682974	351.03473	4491	2718	3143	4626	10873	7052	2229	0	9912	0	0	2584	24122	7814	2129	0	0	17741	17406	0	0	0	5000	0	0	0	2854	0	0	0	2200	0	1318	0	0	0	1472	2813	0	0	0	0	1475	0	0	0	0	1568	1003	0	3168	2258	6987	0	10349	6462	3462	1147	0	0	2101	0	20419	11200	2920	14192	3249	1565	0	0	0	0	0	0	0	914	0	1455	7370	0	8293	0	0	0	18215	5018	5547	3028	3101	1747	0	945	0	1280	0	0	5246	3632	10270	8993	11670	2114	2335	0	0	865	6671	0	1155	19628	Phytochemical	0.6666667	0.6666667	0.0
22	C15 H10 O10	351.03467	351.03525	0.26047653	351.03476	1667	2964	0	2606	10557	4156	0	0	6856	0	0	0	9577	7096	3200	0	0	11156	6617	0	0	1672	3151	1628	0	0	0	0	0	0	0	0	0	0	0	0	0	1063	0	0	1954	1240	0	0	396	0	0	0	0	0	2682	0	6902	351	8826	9629	3844	0	0	0	0	1093	22847	10720	2662	11580	2873	0	0	0	0	0	0	0	0	0	772	1852	3067	1292	4285	0	0	0	16953	3958	2360	1591	1731	0	0	0	0	2353	2269	0	2216	2769	3259	15081	10859	0	0	0	0	0	4293	0	0	19696	Phytochemical	0.6666667	0.6666667	0.0
14	C15 H10 O10	351.03467	351.0352	0.14699976	351.03473	2900	3993	3110	3660	21192	4882	0	0	16902	0	0	2044	32699	7547	2445	0	0	15566	17332	0	0	0	4203	0	0	0	0	0	0	0	1058	0	1373	0	0	0	0	2182	0	0	0	4231	0	0	0	0	0	619	0	0	3711	2739	11677	0	13678	15908	8298	0	0	0	0	0	43700	20327	6336	27942	7964	0	0	0	0	0	0	0	0	0	0	1252	5119	0	1789	0	0	0	24758	5575	2778	8848	7096	0	0	0	0	2645	0	0	3226	1890	13522	31750	25507	1834	1695	0	0	0	13227	0	0	33668	Phytochemical	0.6666667	0.6666667	0.0
16	C15 H10 O10	351.03467	351.03513	0.03732823	351.0347	3136	3789	3394	3479	20724	9814	0	0	16868	0	0	1481	27706	10578	1920	0	0	18026	16081	0	0	2835	4615	0	0	0	0	0	0	0	0	0	1871	0	0	0	0	1493	0	0	0	3378	500	0	356	0	0	899	0	0	1605	1486	9822	0	10582	14731	5234	1766	0	0	0	0	38655	17319	4791	27514	6634	0	0	0	0	0	0	0	0	0	268	0	6559	0	3532	1503	0	0	22019	4373	1840	8737	7163	0	0	0	0	1480	0	0	0	4450	10693	25089	24078	0	0	0	0	0	12340	0	0	30349	Phytochemical	0.6666667	0.6666667	0.0
18	C15 H10 O10	351.03467	351.03513	0.16917425	351.03473	3353	3832	3926	1600	15838	7103	0	0	12219	0	0	2584	24117	11876	0	0	0	16284	13724	0	0	2126	2016	0	0	0	1956	0	0	0	0	0	1819	0	0	0	0	1278	0	0	0	3070	396	0	0	0	0	946	0	0	3917	3054	10144	0	9777	14750	6700	1656	0	0	0	0	36228	13174	5941	19938	5367	0	0	0	0	0	0	0	0	0	462	1777	6559	0	4720	0	0	0	22082	4856	5693	5265	6741	0	0	0	0	2021	0	0	1985	2033	7942	22476	18954	1634	1865	0	0	2044	10302	0	0	28751	Phytochemical	0.6666667	0.6666667	0.0
24	C15 H10 O10	351.03467	351.03513	0.10623226	351.0347	2420	1678	1309	0	8280	4285	0	0	5474	0	0	1431	14544	6136	0	0	0	11981	11584	0	0	0	2942	0	0	0	0	0	0	0	1598	0	0	0	0	0	1594	1931	0	0	0	0	0	0	0	0	0	0	0	0	2792	1038	4497	0	12617	5443	1834	0	0	0	0	0	19867	9711	0	8564	1934	0	0	0	0	0	0	0	0	0	0	910	4491	0	4411	0	0	0	13180	3133	2881	2660	3556	0	0	0	1426	1278	1322	0	1512	1223	4362	7564	11477	0	1882	0	0	972	3008	0	0	20720	Phytochemical	0.6666667	0.6666667	0.0
20	C16 H14 O7 S1	351.0533	351.05377	0.14523976	351.05334	7111	2827	5599	2189	9070	9192	1209	0	6063	11981	6118	0	8481	2119	0	0	0	10809	9960	2963	6141	17904	0	2057	0	5635	1636	8599	0	1348	0	0	0	1915	12910	0	0	2121	0	10034	6838	2865	487	0	0	1811	3893	0	0	0	6580	5628	8383	0	3050	4174	3019	0	3239	2632	2184	6469	3957	5141	2420	8124	4420	1297	9629	7011	10637	0	0	0	0	0	0	0	3184	16675	2913	3155	1930	0	6411	3225	3187	2268	3117	7192	7097	7822	6054	20572	22432	0	3544	4516	5040	5400	5490	0	0	3484	5451	2814	3780	0	2209	11261	Organosulfur	0.4375	0.875	0.0
8	C20 H14 O4 S1	351.06854	351.06924	0.5359691	351.06876	0	1669	1574	1173	2564	0	0	0	2968	2215	4664	0	3581	0	0	0	0	2154	1154	1074	0	2422	0	0	0	0	821	0	0	0	0	0	0	0	1582	0	962	0	0	0	1839	1230	0	0	0	0	0	0	0	0	0	1390	1665	0	2387	2829	1797	0	0	1491	0	2900	4461	3521	0	2615	0	0	0	0	0	0	787	0	28152	0	0	1178	1403	0	0	0	661	0	1914	0	801	1198	845	0	0	0	0	2492	1860	0	0	0	3096	5072	0	0	0	0	0	0	3345	0	0	2886	Organosulfur	0.2	0.7	0.0
8	C16 H14 O9	351.07104	351.07166	0.116967484	351.0711	44189	55413	38207	48467	80271	33121	10049	14130	99559	74081	78962	25913	141674	26142	17492	21049	24863	80430	97389	47344	82600	80273	30931	25101	4624	8725	14144	21388	11262	9189	13027	15827	25270	11339	94451	11415	23080	19107	29295	34113	71834	37171	1412	0	342	18216	47544	472	13545	13733	44596	44454	55649	309	102916	93920	44780	17146	13682	22468	25861	31195	172532	119784	37211	102158	42493	29677	37566	20317	52010	17366	12161	5910	14917	12467	307	15626	44471	29769	33082	14883	8506	10132	111265	38692	35249	45776	42913	28816	0	20725	30176	84063	64530	0	46476	42343	98707	151729	116680	29626	19049	20956	10613	19405	87140	0	12470	143808	Phytochemical	0.5625	0.875	0.0
6	C16 H14 O9	351.07104	351.0717	0.12212368	351.0711	16262	19406	12489	15868	28588	13368	3448	4333	40604	21936	20540	7616	49231	8883	5418	8819	4896	29226	33933	12641	23451	19385	11856	6027	557	1973	3897	2895	3316	3792	4110	4055	9449	3651	26760	3123	5355	7819	6914	7022	15680	13102	0	0	0	4968	9944	325	4724	4217	16938	14863	19914	235	34755	40753	14084	6972	4289	6877	7921	6925	66673	37054	15658	39122	15421	8218	9894	6684	15485	4280	4874	2218	3256	4858	0	4122	15578	4896	8940	4855	2130	1709	41431	16339	10026	16058	10294	10454	0	4224	10821	19340	13978	0	14625	12207	29166	55102	57110	8193	6850	6373	0	7323	32323	0	2721	64474	Phytochemical	0.5625	0.875	0.0
24	C16 H14 O9	351.07104	351.0715	0.20075133	351.07114	10082	9152	11504	14968	43306	27202	4906	0	43196	9864	2778	3294	90584	25168	11286	5068	0	76572	49888	6060	6564	18114	13248	3758	2912	0	0	0	0	0	0	0	3970	3008	11758	0	4410	7726	0	5426	4434	5376	3564	0	0	5364	9574	0	0	3122	14708	11666	27716	0	52288	41528	12296	5404	4498	3630	3294	5774	73816	52076	12182	56558	11416	2864	4808	4208	4362	3284	0	0	0	0	0	4072	24786	11372	18664	6544	0	0	52402	34984	17068	4864	14370	8364	3604	4602	3306	14170	19014	0	19628	17996	20222	39790	33914	6908	3512	3976	4044	4796	25440	0	6592	97054	Phytochemical	0.5625	0.875	0.0
28	C16 H14 O9	351.07104	351.07144	0.12789689	351.0711	4236	5211	4416	5287	12027	9187	1629	0	17206	5711	1745	3093	26046	9396	3842	2300	0	19065	19255	4309	4693	7920	6152	1938	2018	0	2609	1564	1998	0	2023	0	3680	1225	6013	0	2994	4220	1880	2276	3950	4970	1541	0	0	3257	4884	2053	2333	0	6219	6109	9348	0	18381	13330	6231	3166	2132	1674	2617	3112	21236	13980	4826	18809	6051	2532	0	2003	2546	1680	2464	0	0	1955	0	2773	7455	5847	7020	1768	2175	1609	18307	9254	5534	3167	5634	1951	3549	4162	2589	5736	5030	1242	5914	7917	8638	11385	15132	3505	2324	2798	3582	2256	8269	0	3599	23275	Phytochemical	0.5625	0.875	0.0
22	C16 H14 O9	351.07104	351.07153	0.23168534	351.07114	13844	19416	22470	18822	68998	41170	9930	8874	70376	22734	9200	12062	120394	32064	16444	3810	0	110692	67810	6724	22404	39404	21174	6902	10650	5452	6216	3682	0	3122	11764	0	7144	3842	15028	0	7902	13542	4946	5306	13258	7168	0	0	3926	11734	14622	5934	3806	3150	17912	17766	41098	2440	76520	69814	27586	8338	6188	6888	5070	7176	118770	62138	18476	80888	21910	6432	9832	6684	5554	4088	0	0	2868	3666	3138	7710	35826	20126	31058	18120	0	7634	96770	44452	24554	17926	19866	6394	9750	12240	9362	31638	33050	0	19756	23336	40224	71342	65546	7946	7198	6950	9106	9146	39622	0	8020	124538	Phytochemical	0.5625	0.875	0.0
10	C16 H14 O9	351.07104	351.07162	0.12389351	351.0711	83366	81973	76389	82046	148629	75129	23737	29755	197142	127750	120082	45152	268868	56223	35255	44943	41474	169118	180376	94352	141591	148585	63113	35834	11354	14905	28526	41952	21915	22147	25037	25361	54206	21908	182882	19108	53265	43643	42338	76505	122795	63102	2666	0	508	47592	80681	705	26972	23402	89351	85929	103091	525	197951	163145	71629	41967	37344	46757	36012	60799	268989	211323	62199	188918	72016	50771	85646	40911	101555	26648	21515	13690	31446	22229	646	31553	85871	86605	55423	43100	16353	19214	182998	70502	62136	80709	75554	53157	19743	41665	48614	171803	121211	683	84320	77080	155465	226515	176509	48139	33894	37520	60211	41576	137331	0	21994	286144	Phytochemical	0.5625	0.875	0.0
26	C16 H14 O9	351.07104	351.07144	0.15867233	351.0711	5752	5250	5386	2882	12907	9518	0	0	16980	5136	0	4051	29038	9108	0	0	0	26918	17571	0	0	4526	0	0	0	0	0	0	0	0	0	0	0	0	4523	0	1919	3472	0	0	0	0	0	0	0	0	0	0	0	0	4546	5084	9578	0	24217	15835	4761	1636	0	0	0	0	31341	17984	4321	18969	2318	0	0	0	1625	0	0	0	0	0	0	2995	6016	0	7815	0	0	0	19241	9085	4682	4286	3573	3939	1950	1506	0	3017	5614	0	4765	5499	8873	14828	16043	0	0	0	0	0	8154	0	3084	27616	Phytochemical	0.5625	0.875	0.0
12	C15 H14 O8 N2	351.0823	351.08282	0.15298308	351.08234	25571	35991	28525	31610	37914	16939	11933	13458	43791	41833	43323	20268	55215	12467	17761	20996	29426	54292	47589	29149	63004	62580	30168	18414	8279	2207	11612	15087	10025	10033	12252	8951	27461	11001	65827	7555	23787	21060	34537	37888	72495	18768	476	0	0	16321	29625	0	14669	8688	28282	28043	33895	0	62745	37201	18072	17905	19824	25226	0	43141	92827	58255	18045	55333	25982	30766	0	12856	26975	10972	7725	6324	14472	9385	0	15069	32780	33947	21379	16173	11016	12264	39638	21578	31068	27143	25700	57824	11389	29958	50199	59081	32084	0	31907	28820	24012	40577	34978	22618	15326	15887	0	30394	30213	0	10697	99116	Peptide	0.53333336	0.93333334	0.13333334
8	C15 H14 O8 N2	351.0823	351.0829	0.12090551	351.08234	21605	22095	20458	23388	30872	14007	7063	10768	42694	25722	29253	11443	51532	10261	8019	14504	15649	33184	37949	14318	38961	42743	21865	15300	3828	1974	7310	5180	7529	6339	11538	10631	19963	8129	35054	7382	20089	11787	18727	24658	48865	15001	0	0	0	16015	26526	0	12198	8269	18807	21645	21761	0	49558	35376	15913	12540	10492	15133	19121	25531	85298	47207	14106	44598	20907	17892	13573	5593	18751	11311	8435	4203	6595	9489	0	8980	17045	13509	11445	9082	5434	5857	37254	12134	14980	25199	22369	33713	0	11745	33236	37934	22261	0	23931	20131	24678	41396	37409	19887	13418	12177	9492	19778	23977	0	8243	72789	Peptide	0.53333336	0.93333334	0.13333334
26	C15 H14 O8 N2	351.0823	351.08273	0.006272338	351.0823	0	0	0	0	0	0	0	0	0	0	19452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45609	0	0	0	0	0	0	1632	0	0	0	3989	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1887	0	0	0	0	3960	0	0	0	0	0	0	0	0	0	0	0	6380	0	91573	0	0	0	0	0	0	0	0	0	0	0	2902	0	0	0	0	0	0	0	0	0	0	26220	0	0	0	0	0	Peptide	0.53333336	0.93333334	0.13333334
16	C15 H14 O8 N2	351.0823	351.0828	0.18257098	351.08237	10874	15701	14551	12096	19323	11194	4732	6216	20139	13954	6891	10316	22499	7262	9425	6846	8783	21157	21503	8533	12957	30290	15854	10166	5678	0	4777	2470	5195	5096	5230	5486	14040	4152	16594	4171	11203	9805	11984	10773	22058	8282	567	0	0	4315	15306	0	8658	5375	10350	16179	14031	0	15929	14715	11351	10989	7274	7816	9598	15125	26880	18396	8900	22132	12093	14761	4904	2418	6958	3101	4393	0	5194	3244	297	6360	15342	13465	10127	8378	4911	3774	16669	10451	15886	17124	15032	32978	4180	11469	0	29252	19705	0	11310	10396	10637	16199	18048	11622	10282	5344	5408	11334	12798	0	9068	43923	Peptide	0.53333336	0.93333334	0.13333334
6	C15 H14 O8 N2	351.0823	351.08292	0.11693554	351.08234	10297	11177	10679	9796	15465	5839	2450	4590	20502	11686	14501	7068	33217	4075	3772	6641	7233	20107	20770	6823	12300	15842	7876	7673	1440	1233	3266	0	2280	4033	5992	4831	8757	5161	14811	4008	8532	5206	8463	8557	19088	10454	0	0	0	6846	11220	0	4318	5293	10349	11109	11888	0	25362	18673	8030	6787	5249	5687	6297	7423	44449	23183	10242	20651	11166	8509	3730	2741	5779	5113	3731	3155	4301	2459	0	4334	8327	0	4584	3695	2341	2445	20327	5724	5824	13407	10039	15353	0	4121	13907	13260	8600	0	10460	9673	11016	20141	20934	9151	6043	5055	0	10216	11229	0	2993	46105	Peptide	0.53333336	0.93333334	0.13333334
18	C15 H14 O8 N2	351.0823	351.0828	0.11902001	351.08234	5943	8259	5117	5692	12825	5938	3468	1835	9298	10174	3845	6293	21168	3522	4322	5634	4678	10966	9810	0	3491	15229	13138	14724	4340	0	4557	0	0	2622	3871	0	5661	0	7695	2109	6674	5248	6520	5703	8295	4360	368	0	402	3006	4867	0	3264	0	5166	8964	6790	0	12928	7766	4812	0	3002	5289	4484	7350	15845	9513	3521	10597	6360	8174	1778	0	1583	0	1608	1674	1455	0	0	2994	20653	9741	12511	3816	1333	2478	9357	5566	14009	9694	6555	16235	2787	6283	28852	10256	9267	0	6910	4168	5673	8107	9503	6913	4900	4549	3134	9996	7724	0	5995	25525	Peptide	0.53333336	0.93333334	0.13333334
20	C20 H14 O6	351.0863	351.08676	0.17508571	351.08636	14392	13125	17919	12947	13499	9495	3562	4347	18457	44512	45257	3671	12545	10607	6633	7378	3178	17180	22491	31215	32213	39605	7389	8786	3478	66915	3291	35722	4971	3133	3733	3294	8789	4954	55229	4488	5835	5481	7386	25082	31083	10853	1380	0	0	19588	30046	0	4117	4420	12958	21056	14431	354	13489	10940	12374	7754	2728	8584	6702	17133	17018	11032	9503	18712	14749	5691	52236	50521	77670	2911	1358	0	5147	3445	0	3504	15395	34353	13785	17843	7271	21486	16425	9639	13815	15747	11236	12653	14158	14378	6569	41181	40125	0	13284	20360	18632	15144	10939	4834	4537	8759	15549	4408	10933	0	7460	18017	Phytochemical	0.3	0.7	0.0
16	C20 H14 O6	351.0863	351.08685	0.2198414	351.0864	7705	6764	10373	5877	5309	4483	1878	3139	4635	22049	23878	1145	7391	2840	0	1715	1517	6788	9257	9851	18745	14836	1309	3730	2962	33182	2544	11198	1812	0	0	0	3347	1396	31159	1690	3821	2656	5169	3174	13147	3128	0	0	0	6628	11534	0	0	1704	7205	8868	4824	0	3607	5021	4047	4871	2695	3943	0	8059	10926	4656	3769	7809	5432	0	25580	26091	41764	2163	2339	0	2074	2452	0	0	5055	11788	3962	8135	2438	10638	6383	4012	5114	5002	2748	0	3344	0	0	14243	12315	0	8386	6237	5973	7634	4554	2202	2341	2928	3752	0	7244	0	2187	8279	Phytochemical	0.3	0.7	0.0
22	C20 H14 O6	351.0863	351.08676	0.060895305	351.08633	14912	11867	8740	10476	12145	6221	3313	3484	10691	29251	29691	6212	9495	9261	5603	7039	3974	12939	15799	16860	18249	27689	7184	7499	4510	42041	3585	22358	2811	4058	2284	0	3337	3836	38041	2991	3959	5336	7172	16575	21591	5806	0	0	391	10968	20201	0	5269	4059	12697	12326	10479	375	12309	9543	10970	2722	3939	7517	6227	14849	13996	9493	7574	12970	11085	5582	35433	28850	44360	1264	2810	1418	4608	3319	0	2565	15922	23531	13980	17210	4926	17817	14821	9387	9575	8492	5833	7363	4838	6137	4163	33719	29146	0	10912	9359	10752	14316	16116	5160	3494	4229	12046	6732	11923	0	6701	14242	Phytochemical	0.3	0.7	0.0
18	C20 H14 O6	351.0863	351.08682	0.18606213	351.08636	18540	12210	10630	9296	8691	5704	3357	2880	8003	44176	40973	1833	10297	6083	2985	7200	3787	17046	17653	26588	25892	21319	7107	7312	5331	57168	3293	26787	0	1647	3307	0	4931	0	40518	1919	6626	4561	4594	22625	23500	4998	0	0	0	15882	22507	345	3043	1645	9799	13821	9051	221	11536	6096	7322	6084	3370	4693	5158	9074	15960	10698	7041	17034	9543	0	48483	49134	75295	2884	1403	1408	2098	0	0	1947	8432	20715	9437	17884	4406	17780	13342	8677	11393	7732	8676	18972	10209	6853	8358	25216	28665	0	17588	12700	14468	9128	7707	5883	4651	5144	12458	5336	6993	0	3684	10363	Phytochemical	0.3	0.7	0.0
24	C20 H14 O6	351.0863	351.0867	0.08139495	351.08633	5080	3847	4030	4909	3588	1732	0	0	5659	11781	11435	2053	5687	1563	2160	1940	1685	3259	9250	5748	8210	9412	3311	2222	0	20842	0	3825	0	1126	1432	1397	1603	1066	17399	0	0	753	2396	6522	13699	1306	0	0	0	3833	11476	0	2159	0	5679	3978	3998	0	5495	5000	2420	2363	1635	1547	1410	4813	3288	4308	1988	3584	3469	2802	17003	8691	16284	1507	0	0	0	0	0	1566	4004	7600	4030	8381	1429	5451	6871	3415	4034	3599	3152	2652	1495	1685	3618	13387	10804	0	5080	4242	6056	6265	5465	0	1051	2092	3247	1035	5099	0	1547	5642	Phytochemical	0.3	0.7	0.0
22	C17 H18 O6 S1	351.0897	351.09018	0.15007779	351.08975	10910	10573	7327	8184	12277	7771	2057	0	10109	26882	15937	1105	12432	4649	3342	5588	3098	15409	12169	28316	25890	24414	3973	4609	7944	24166	0	11789	3833	1588	0	0	2685	0	30217	1752	2124	2927	2558	26612	20223	2914	0	0	0	13219	10192	0	3051	0	7616	13923	8757	0	6890	9112	4353	4432	8453	5871	5323	20616	7235	6832	6979	12168	7524	3568	23075	42617	37837	0	1252	0	2290	0	0	1640	5361	18803	3065	8764	4312	18166	8144	5650	5848	5173	5413	4922	19889	22927	8584	19564	28399	0	9282	8963	7480	9984	8856	3536	0	9109	6770	3686	9222	0	3416	13162	Organosulfur	0.3529412	1.0588236	0.0
12	C14 H19 O5 N2 S1 Na1	351.0985	351.09918	-0.26425877	351.09842	5374	5456	4708	4668	0	2216	0	0	3704	16052	38784	0	4218	1856	0	0	0	2860	4574	3598	4996	0	2946	0	0	10314	0	0	0	0	0	0	0	0	7474	0	0	0	0	15608	13618	2366	0	0	0	16842	58316	0	0	0	4424	7424	1882	0	0	0	2056	0	126112	0	0	72060	5832	0	2404	0	2616	0	0	12974	29024	0	0	0	0	1235	0	0	0	0	3268	2988	0	4226	0	2074	3476	1274	0	0	0	0	0	29050	5226	0	5030	5646	0	2318	1876	0	0	0	3169862	0	2416	0	2332	3390	Peptide	0.35714287	1.3571428	0.14285715
22	C17 H18 O8	351.10745	351.10785	0.07944123	351.10748	49598	54437	45049	52072	70059	56300	27179	33149	77657	87344	34073	30203	105216	41541	43557	38473	23434	106770	73624	54103	64520	66735	52084	43205	41272	31081	22427	22089	38177	25843	29819	31416	45793	33125	78237	33261	51185	41265	24421	55071	39975	29105	5761	3855	5700	49068	54203	7621	37194	26720	52033	43553	54088	4786	107028	72587	40705	42115	25221	23325	41972	38676	115172	83096	31409	88983	46895	28280	37472	74336	61604	33657	26033	27763	22239	34286	5739	35009	59581	38572	55581	37950	23678	35197	91267	51277	47855	35571	41993	24572	39955	37930	40957	47475	56210	6866	51205	55028	60744	76273	69475	38078	34011	34211	39731	30186	56867	3573	31875	117893	Phytochemical	0.47058824	1.0588236	0.0
28	C17 H18 O8	351.10745	351.10788	0.08909915	351.10748	15786	12199	11606	12937	17563	13832	7954	11087	15729	22520	10204	7526	32810	10371	13265	12316	9687	24429	20695	22442	23417	14790	15633	13694	11010	11270	6868	9769	9664	11753	9399	7645	12981	9431	26131	11404	12083	8264	7033	11679	12008	9590	4512	2105	4668	13002	10887	4394	9957	9493	15582	10853	12688	3854	19764	18195	11040	10767	9698	7343	15890	10866	22423	16334	7286	22930	10664	9137	16577	18286	22219	11317	10330	9182	7521	11148	3778	9501	14975	11674	14787	10758	7553	8542	16460	12648	13109	9377	10771	6837	12480	10685	13872	11533	17651	3078	14942	14989	13620	14759	16360	12621	9409	10958	12323	9856	10566	2784	7763	26835	Phytochemical	0.47058824	1.0588236	0.0
24	C17 H18 O8	351.10745	351.10785	0.08713089	351.10748	28775	26825	25317	25104	46861	24265	9566	17995	41522	41342	14478	13598	84190	21977	16448	15174	11937	50241	48434	28009	26488	39477	23225	16924	15348	14644	7441	12405	12455	13887	13656	10275	21908	11311	45890	11846	15597	16300	13552	22226	18456	10550	5728	3669	9536	23336	22425	4452	14547	14296	23648	24145	35110	0	64630	42952	16895	22823	12973	9357	19302	15976	67521	51630	13595	48900	20258	11938	19250	18921	26329	16638	14233	9805	9273	13209	5936	15096	25275	14042	31809	19450	6971	14972	48580	21974	26008	16103	17874	9712	16601	17737	23487	22905	33949	3778	24282	22316	26691	52245	57979	13954	13469	14456	19585	16410	28744	3891	16581	68050	Phytochemical	0.47058824	1.0588236	0.0
4	C17 H18 O8	351.10745	351.10806	0.09268045	351.10748	14058	13900	11679	15272	11694	9672	7346	13149	37802	19645	16950	9951	30958	14885	10930	11137	13318	37198	16727	15952	20650	20302	13826	12466	6810	11802	7876	8122	9126	10977	11119	11246	13126	8057	23939	11047	11292	8669	14539	13586	18518	11641	3021	1948	3415	11778	16971	3336	9886	11714	11095	13427	12584	2576	20258	15632	11104	15179	9289	13102	15005	8733	23205	32326	11746	15601	9142	16566	25353	16054	25779	8700	7729	9282	3962	13017	2402	7834	13037	4467	13905	11008	8424	5671	40260	9367	10572	10133	15005	12211	6286	9993	12251	9760	9089	7031	13925	16601	16659	23175	42154	10759	11225	14004	10396	12214	13971	2347	8387	36078	Phytochemical	0.47058824	1.0588236	0.0
26	C17 H18 O8	351.10745	351.10788	0.093696766	351.10748	19389	16814	15114	12637	27097	15881	4897	9913	26357	24397	10284	10935	54177	14328	9399	12315	7936	32779	30268	20700	21756	22132	13962	14993	9612	8595	5173	7407	9977	9046	8695	6828	10621	9396	30026	13146	11607	11277	12245	16220	15964	13254	4388	0	0	11308	16630	0	8649	0	16216	15883	16887	0	31111	33190	10364	12431	8069	7813	12021	10780	47770	24892	7655	35540	10266	7895	14467	20988	16592	12863	8422	7175	6223	10624	0	10923	15853	9351	16506	12956	7048	7241	30315	21961	14553	10212	12464	6004	12042	9107	14628	11983	20345	0	13836	17760	14917	27314	27593	12369	10438	9048	10843	7169	14127	0	10636	44679	Phytochemical	0.47058824	1.0588236	0.0
6	C16 H18 O7 N2	351.11868	351.1193	0.09010904	351.1187	241074	251234	217817	230704	165860	119853	126672	232926	216017	287754	211196	179564	235728	59666	156991	248158	254529	240251	280674	249510	364018	341140	195348	299339	78752	48369	135314	102927	175578	192236	218120	220006	296619	196640	357129	190316	262077	159594	344069	224803	414620	150534	1369	0	0	235568	360073	314	249880	210706	254676	238957	163073	402	236727	149132	115464	248760	175585	274599	230641	196627	285912	207356	102767	212307	163907	371535	127359	140763	242991	199017	195670	167622	131095	178818	201	133584	171286	107729	152419	142566	121397	90644	173214	121735	170234	212186	194167	347013	111320	194226	345215	211489	230777	641	239579	226879	118184	178627	186938	281580	162786	256188	178529	265181	141996	433	120890	352784	Phytochemical	0.4375	1.125	0.125
10	C16 H18 O7 N2	351.11868	351.1192	0.067709275	351.1187	395604	373334	360494	332930	268849	224657	226104	406295	277783	399994	249902	301843	362431	112311	288678	406475	409332	411902	428356	384118	466364	562664	366133	466561	217366	109400	253186	154667	333922	323576	339842	390218	526787	352104	492875	335580	530542	279616	490539	456153	533817	236066	5013	647	550	362139	393436	0	400261	323710	403290	370461	263724	1414	371263	198164	155565	456806	332169	318938	448887	311878	369506	315572	156767	338539	257091	512391	217383	274140	321268	365335	341370	270556	317063	310550	0	263719	345460	192823	284248	252364	227997	171508	248736	179267	336712	312315	297705	538364	240944	326723	654377	302160	356402	2298	380899	367272	182350	225277	216630	441299	259813	394201	252089	452449	200081	632	255980	519255	Phytochemical	0.4375	1.125	0.125
2	C16 H18 O7 N2	351.11868	351.11935	0.03599647	351.11868	17845	17621	16587	14551	24614	16079	10393	14460	29205	14370	21285	15061	42601	8783	11495	4181	17419	28101	27185	13636	33966	26708	15403	14047	4278	3404	2812	10906	14498	8590	13552	11786	25676	12931	27581	11195	14945	10737	21575	13599	28151	18132	306	0	0	9902	16005	0	12306	11111	15764	16497	22921	0	29828	19587	12850	18688	9432	15528	5313	11228	50305	33992	13610	38033	19748	25950	8988	8435	15523	13336	14000	9307	2783	12893	0	9929	14306	8102	12933	8772	6981	5381	24747	13137	14859	23894	19940	28808	10172	15365	28615	19160	4880	396	18275	16205	17555	32220	28195	12447	13870	12429	10580	21044	17129	0	9063	49836	Phytochemical	0.4375	1.125	0.125
12	C16 H18 O7 N2	351.11868	351.1192	0.07993061	351.1187	250860	272124	278077	263611	190589	166660	213986	270922	201553	250528	159551	196493	248084	91665	220521	288691	337772	303564	347113	268270	289342	464492	261667	324118	186895	73387	173115	141493	248363	198614	242071	254445	365971	244096	372453	210837	330504	215542	394443	298881	370883	180308	3599	735	390	242283	268918	803	291456	216664	257422	262784	230358	745	261833	136331	141445	306243	267125	237051	308882	228499	276166	209067	114066	266632	205959	395985	163366	193394	233921	230451	206741	188727	212274	201529	428	200859	274414	187388	231906	191672	173650	133613	175152	139271	293669	232250	223954	498109	196476	308004	490244	238875	217778	1291	292667	295903	152863	155901	160339	293794	192294	219510	160680	343807	152186	372	213207	375085	Phytochemical	0.4375	1.125	0.125
8	C16 H18 O7 N2	351.11868	351.11923	0.05626157	351.11868	384597	405566	324761	390761	262128	195653	210250	372160	303866	405875	271362	303089	360695	89568	270521	418133	443142	357746	442092	396492	493210	570884	330906	432381	166300	86889	239468	159683	304762	291911	346312	376173	433675	334696	569040	287438	460717	261905	517139	465971	615818	240508	2761	489	381	399180	522138	0	408129	332613	360302	409545	255880	757	390113	223832	169912	347705	305989	360675	397512	346189	437754	364744	170946	348984	273270	549882	225551	228942	369512	362621	325947	259734	279920	329150	0	254119	332058	210760	260605	252571	214545	192164	246216	167564	296605	307310	304424	528790	199947	366354	595145	338629	352963	1591	387520	369447	192275	278050	251846	446594	268364	391047	230236	404674	220837	324	232360	521698	Phytochemical	0.4375	1.125	0.125
4	C16 H18 O7 N2	351.11868	351.11932	0.06335372	351.1187	55823	63630	54161	49851	46907	39591	23230	50319	58527	65293	60278	43059	72530	20089	35612	52340	77521	64962	67604	59644	89246	90526	50389	57122	21512	13562	36845	27190	36648	38408	46385	38869	60093	33501	98408	42098	54578	35620	93699	65827	119030	43364	0	305	0	54188	102307	0	49232	48375	55030	48460	40820	321	70250	51982	33561	46167	39929	71131	51372	47187	89413	67642	40321	62911	42821	85808	36038	26079	48907	42636	32917	37545	23955	35831	211	33203	36702	25175	39436	36388	26390	22056	73994	37090	36555	54103	50341	78736	33767	40812	83065	56203	53489	489	49405	60757	50173	72182	65019	57185	34324	67547	47156	56251	48565	0	26545	93811	Phytochemical	0.4375	1.125	0.125
18	C16 H18 O7 N2	351.11868	351.11914	0.15018514	351.11874	64491	56472	55446	52865	53349	35857	34419	46959	42290	83976	61855	36757	51409	39178	48930	51892	45874	58343	62366	81068	76741	73927	48734	66204	36310	132887	42519	63166	50625	38208	45751	33486	61713	38894	79985	36389	54315	41439	49368	74452	80962	39757	2563	588	997	52415	44198	851	41786	37736	61284	60745	53244	512	46448	36204	35622	64697	35474	38497	51341	53689	52627	41904	30994	55971	38727	57933	120870	126471	187147	43124	25786	30102	29489	40534	356	31917	59329	55800	56712	44165	37268	52619	49192	38430	65787	49872	46029	68257	58962	58782	84287	59169	73257	1329	51730	53201	38813	35671	40585	59808	33952	50401	29601	56664	38250	677	53758	60421	Phytochemical	0.4375	1.125	0.125
24	C21 H18 O5	351.1227	351.1231	0.06419634	351.1227	20948	16290	16748	16820	16650	7907	1826	4546	16531	34975	43176	6019	18817	11864	7591	9142	9149	14050	19338	35225	33164	17418	8654	10838	6730	101019	5249	47723	4424	5665	3345	4922	7618	5861	44038	4649	8419	5313	7404	30873	49485	9111	1800	0	0	18435	30705	0	6156	6081	15211	19174	14951	0	15305	14016	9184	8790	7233	8981	5860	24216	16231	12160	8755	22772	14249	8185	90337	50836	92883	4881	3104	2908	4233	6517	0	4213	16138	25687	11727	20877	9046	28848	19511	11904	16238	9616	11486	8277	7580	10952	12963	31235	26809	0	15402	17434	15836	15211	18085	5857	3541	12712	18472	8874	13838	0	8013	15660	Phytochemical	0.23809524	0.85714287	0.0
16	C21 H18 O5	351.1227	351.12317	0.041865543	351.1227	18449	15097	12041	14872	13338	7760	8600	13006	12257	24941	23648	10951	8793	8870	12728	13159	14393	6324	14401	24931	28628	17013	14077	14010	8284	56643	10632	16753	9357	9288	10689	14860	10625	5129	25003	6979	13561	9197	15697	19981	18247	7508	512	0	0	12659	21922	395	12702	12706	14934	14855	13981	276	10404	8255	7914	20051	9108	11760	10637	14047	16077	7653	6023	15866	9391	11642	51686	61365	72200	11537	11023	9855	11281	13840	0	7398	14680	14349	15050	16593	10117	17107	12681	10625	18282	9896	9159	0	12494	12150	0	13773	15825	0	17033	13091	12539	9739	13490	10409	11588	10487	10162	0	7840	0	15347	12907	Phytochemical	0.23809524	0.85714287	0.0
20	C21 H18 O5	351.1227	351.12317	0.12646648	351.12274	42088	45558	31250	36247	29895	21585	13905	21973	31056	74649	87198	14376	31595	27730	21066	23360	18196	38230	41524	74625	77561	46968	21739	29181	18762	212097	13325	69371	18491	16037	13780	14396	24773	16261	98804	17115	25730	19647	20592	61025	76090	26983	1390	0	410	40654	49134	960	21380	19103	35266	38558	24845	646	24479	23403	24906	20771	20437	23456	28246	40882	31904	27883	21766	34276	31145	21186	175607	162535	225788	15621	11891	14272	18221	19520	371	15854	38416	44802	28163	31030	18993	53707	34909	19963	33897	26119	23466	34292	34303	26150	37142	44740	52859	0	43263	33643	32887	25258	29394	23933	16384	27315	26902	18543	28616	799	21863	26255	Phytochemical	0.23809524	0.85714287	0.0
26	C21 H18 O5	351.1227	351.123	0.09422657	351.12274	4500	5072	3743	3827	4090	2321	0	0	3869	8129	11955	0	0	2718	0	0	0	5226	6827	7194	9057	5568	0	0	0	18821	1551	7223	0	0	0	0	0	2144	9931	0	1940	0	0	5679	10495	0	0	0	0	0	8469	0	2054	0	3222	4685	4476	0	0	0	4232	2575	0	0	0	0	2569	4569	3148	6910	2814	3213	26865	14822	28968	0	0	0	0	2711	0	0	3706	9243	2663	4629	0	7022	0	0	2723	5282	2613	4085	1761	2911	5338	10922	8652	0	6396	0	4254	5223	5953	0	0	0	0	2776	0	0	3951	4851	Phytochemical	0.23809524	0.85714287	0.0
22	C21 H18 O5	351.1227	351.12314	0.08131944	351.12274	37829	42203	32205	36126	31857	22759	9058	14844	29677	66099	89565	12386	22383	27089	14964	19960	17707	40440	42474	67741	76650	44655	17244	22417	15681	204182	11217	89354	20075	12638	12330	16402	20940	13162	79428	11895	19119	15159	16678	52425	77072	21484	3320	0	786	41032	54254	0	12435	13105	39883	35579	34984	1013	22975	26345	19323	19621	14797	24284	15420	49255	37389	26171	19084	44500	36218	15522	182774	159338	220544	13118	9966	6442	9927	15260	486	12334	32777	48726	24240	33510	16371	52808	40219	24073	27015	28036	23883	23421	33903	26547	24906	56503	53697	0	36592	32456	33287	32248	25138	24828	11925	23737	31601	20732	25300	0	16418	30599	Phytochemical	0.23809524	0.85714287	0.0
14	C21 H18 O5	351.1227	351.12314	-0.033469517	351.12268	6498	8169	7668	9251	7908	3384	7304	10238	5424	10097	13882	5660	2986	3577	8104	8074	6771	4704	7383	7959	15493	13274	5448	8561	5564	24561	8652	19988	3742	7486	6321	9370	8714	5610	12437	6458	6679	5242	8943	11850	10947	4627	0	0	0	7044	10097	0	5592	9414	11744	7471	6726	0	3338	2342	4052	11303	0	8997	0	4164	5950	2313	2962	10564	3867	10481	17569	24674	32063	8162	8890	6508	4337	11370	0	5409	11272	0	9411	6272	8347	8798	5658	4074	10144	4297	5137	11273	5508	10694	8284	7116	6703	0	6359	6851	5279	6881	6404	4305	6932	11519	0	9248	5412	0	9401	7505	Phytochemical	0.23809524	0.85714287	0.0
8	C15 H18 O6 N4	351.1299	351.13043	-0.057368368	351.12988	7233	7982	8882	10005	4140	4127	3905	10536	7824	4840	3534	5013	5498	3091	7562	13383	9393	6720	9746	5397	5574	12945	7799	13388	6637	1283	6501	0	7475	6125	7315	7897	6009	6289	6933	7262	10637	5285	9508	7192	7587	4461	0	0	0	6791	5382	0	9691	8451	9668	9219	5454	0	6179	3220	3850	8572	5740	4934	11900	5761	7549	5784	3310	8541	5719	13581	0	3000	3940	6249	5731	3876	6110	5966	0	4302	7686	0	5919	3549	6169	2061	6318	4637	9348	7705	5052	18796	0	9268	23659	5255	4947	0	8520	7429	4361	4027	4010	8109	4605	8580	0	10444	3181	0	8977	8306	Peptide	0.4	1.2	0.26666668
6	C15 H18 O6 N4	351.1299	351.1305	0.006026925	351.1299	9164	9502	8311	9187	6197	5548	7439	10017	6642	6749	3572	5832	7770	4184	8289	16305	13186	9711	11688	7249	10216	12140	12604	15450	6311	878	5212	2232	7198	6281	8022	9394	11384	7464	8195	7376	8415	7902	14901	5098	9300	6635	0	0	0	6783	6889	0	11367	10136	7969	9484	5758	0	9564	5288	4090	11946	8410	10012	11870	5125	9058	7698	4973	6861	7003	18200	0	3379	4494	7194	6623	6162	3952	6194	0	5683	8529	3248	7564	6031	6477	2783	6115	7213	11353	7824	5395	23730	5530	10254	25060	5871	5177	0	9837	7860	4117	4144	5901	12303	5034	7991	0	13383	6944	0	6768	11819	Peptide	0.4	1.2	0.26666668
2	C15 H18 O6 N4	351.1299	351.13055	-0.014912669	351.1299	5065	5374	4269	4754	4523	0	3217	4732	6544	2741	2425	5051	6787	2226	4351	1190	7035	6505	7458	2304	5477	8215	5859	4867	2236	364	0	0	4493	2894	5856	4632	7428	4374	3400	4448	7283	4046	7569	3935	5540	5035	0	0	0	2387	3283	0	4261	3624	5272	5787	5129	0	6906	4555	3297	6638	2280	4181	1894	2273	9688	8081	3328	8562	6017	12649	0	889	1503	6049	4184	3764	511	3853	0	3289	6996	0	4787	1975	1890	1340	6602	3638	6342	7728	5119	21554	1871	4585	14113	3598	320	0	5042	4663	5090	5353	4579	5027	4796	3537	2331	9341	3553	0	5356	11043	Peptide	0.4	1.2	0.26666668
6	C13 H22 O9 N2	351.1398	351.1405	0.21620704	351.1399	0	1718	1472	2130	0	1314	1029	6535	1868	0	1335	3879	1859	917	2375	0	2874	613	0	0	1219	2102	2050	0	0	727	2277	0	1925	0	3765	4283	3812	0	0	2260	3211	1257	0	0	0	802	0	0	0	0	0	0	0	3176	1604	0	0	0	854	876	987	0	2065	1726	0	0	1216	0	912	1237	0	0	0	0	0	3843	3532	3604	37760	2178	0	1907	1134	0	1375	1103	2051	0	0	1276	1816	3072	1049	3725	0	1759	2752	0	0	0	2746	0	752	1624	0	0	3688	0	0	2546	2291	0	3404	0	A-Sugar	0.6923077	1.6923077	0.15384616
6	C18 H22 O7	351.14383	351.1444	0.031205734	351.14383	69964	122412	112230	125766	31329	30634	47828	157608	91148	64113	102994	48977	73480	52388	109372	73268	67574	85618	114264	75622	87958	134260	121840	171304	39040	117728	46408	38555	64049	139206	128190	64735	68294	94884	73338	149668	116684	103522	172428	114390	133546	76154	8772	5468	7730	150730	168508	6143	142604	126320	119078	118710	64730	7055	58310	89582	72490	140072	63372	73313	152870	82758	48423	83496	50544	39619	70134	84906	147184	138880	185878	107898	61121	68005	74228	132008	6651	94334	135348	43224	123252	119536	62761	38606	45109	76780	120178	33746	45117	144810	41065	55380	73507	94930	112804	8568	120948	123194	64436	81536	99314	142810	51904	81932	56253	92580	39053	5544	101766	80084	Phytochemical	0.3888889	1.2222222	0.0
24	C18 H22 O7	351.14383	351.14423	0.06226444	351.14386	95610	90732	81265	96170	97685	68243	43263	84326	90602	106894	51189	59759	153268	60561	78210	96797	67122	140496	131724	117875	109308	87004	90509	98739	60351	79123	44155	49216	83344	71728	71760	75800	98828	71381	118133	77610	98707	60267	63023	78028	66006	54999	13005	8108	21750	67251	60752	11364	98767	70137	91700	88609	71391	12270	129345	94531	60803	94274	60426	40286	99538	54594	135548	104553	44901	116474	68280	56579	80442	135253	121267	84591	75966	73973	51403	75013	16323	64782	102002	42442	87016	51258	55981	52880	102956	52243	87960	57127	69268	61136	78350	72641	108382	45748	71669	12571	89265	89846	67116	95079	99919	81477	64351	81479	51252	79766	55083	12086	53987	157701	Phytochemical	0.3888889	1.2222222	0.0
26	C18 H22 O7	351.14383	351.14426	0.0611576	351.14386	48760	39658	42181	44945	44190	34449	18593	52913	47018	54105	27440	34682	86177	30648	40150	46274	32260	73067	66016	62396	68198	47700	49844	63859	29771	40038	21338	26657	47200	44223	40667	43892	51141	40987	69166	46682	60986	36293	34664	45515	36981	34849	0	8516	12219	35811	24868	8911	49563	36678	45079	40988	39555	11537	62646	49168	32249	52644	26072	19810	61994	27496	66735	43465	24514	62589	34955	35965	41968	74788	57047	45952	47982	42613	38275	43949	11623	32916	48952	20714	40462	26870	29038	28964	54779	31759	50957	30392	37040	33516	42625	40167	56040	18084	30925	9789	40808	52250	28929	58849	62525	49452	40590	37790	24727	35378	30216	9266	29307	64916	Phytochemical	0.3888889	1.2222222	0.0
8	C18 H22 O7	351.14383	351.14435	0.02317541	351.14383	406206	427638	302182	399740	181804	170552	295028	474286	269808	422614	144049	316882	256250	138954	176797	461182	398002	233646	174636	551466	524822	233106	384548	497866	223900	240667	307988	124054	388022	381334	184951	222318	358810	312604	484316	202580	373472	160136	472222	373392	450188	231580	10524	5986	8590	234604	454786	6394	214789	427026	377026	403732	203378	7061	373392	236270	188428	200647	369618	393326	256790	288222	285634	141564	86067	223464	103884	447246	470220	531432	652802	381568	187224	426898	282308	463822	6501	306726	477782	109043	429234	351828	197294	293846	288060	90906	375006	164690	245514	462098	138130	175033	456632	278948	181430	10359	202111	417128	253852	268274	263572	395676	296300	492400	134917	326242	226192	6516	334886	281232	Phytochemical	0.3888889	1.2222222	0.0
2	C17 H22 O6 N2	351.15506	351.15573	0.05045528	351.1551	62239	62681	55335	58964	39796	46979	43999	75272	46406	60266	44595	52633	64142	24742	49975	30211	71764	61191	60558	64799	96858	85153	50104	59810	30272	18634	20572	37629	70310	47506	64996	58774	86548	62600	96284	61262	81643	45146	82510	68943	84227	40190	579	0	0	46843	70715	0	66428	46365	55399	57167	42243	0	61085	26931	27917	63588	38445	55904	34396	38245	57571	57788	26333	57011	48573	95094	32302	42462	49901	59535	67114	55451	21065	57311	0	41026	57416	36618	49320	34436	37811	27614	31463	28253	52274	47782	48684	113885	46420	71846	99380	54005	36768	790	65191	65901	26775	30551	32403	55303	47753	64631	35290	66678	29527	0	44381	62905	Phytochemical	0.3529412	1.2941177	0.11764706
4	C17 H22 O6 N2	351.15506	351.1557	0.03781675	351.1551	135085	142398	136416	137743	78345	70053	92583	166997	96998	166454	87162	89879	134549	45425	128140	139014	139905	122578	134258	192654	189588	220364	116804	153170	101814	62404	95160	74528	139867	118042	120545	133892	179006	109516	244895	156187	186401	112678	176784	179044	190881	83050	1198	278	310	144653	187131	0	143696	140021	140589	118967	86866	342	147772	73978	57590	123901	106286	121210	139845	116630	117271	95171	46421	106254	79506	144195	79914	122191	112421	123402	116643	155167	82295	123971	0	100628	127729	100334	117256	95805	112729	84599	95020	77386	127990	79945	95952	143511	128419	164510	221465	118793	171337	1046	129371	151540	73057	99808	100671	172324	83956	206281	103018	129840	84421	0	102286	139065	Phytochemical	0.3529412	1.2941177	0.11764706
8	C17 H22 O6 N2	351.15506	351.15558	-0.024362262	351.15506	425035	457702	356392	432824	157899	179599	372450	489239	208963	483786	254614	305463	206382	81505	376260	508210	382447	246598	372850	601104	584676	645499	361694	562012	303745	171386	361393	238980	438908	401418	442040	522008	530185	439432	721008	441003	564786	342008	494614	563753	538117	211885	2330	385	0	521358	471984	0	547981	427718	398713	430330	216726	509	287449	132451	160224	418524	360462	327272	483729	341857	200817	213371	139488	227571	224236	484295	210357	373310	354278	476309	424902	387459	330645	453094	0	323843	359415	258109	307572	316773	357675	310943	140382	161160	338841	246034	262264	570607	548610	673409	761211	344651	502913	1153	425176	411598	139591	141557	142068	511128	306436	574253	237860	468387	159435	0	357094	262318	Phytochemical	0.3529412	1.2941177	0.11764706
20	C17 H22 O6 N2	351.15506	351.1555	0.053064227	351.1551	19628	18232	14180	17930	8568	16162	15608	16088	8522	9982	6362	13156	12586	10906	28308	26976	16000	19634	18424	17374	6194	24476	17004	31670	28968	3654	14086	8578	21390	19406	22930	22256	27378	15762	13806	20076	29986	18314	17944	16496	10949	17582	952	0	700	15096	16958	0	32766	11572	20176	15870	17830	1244	13916	9788	7820	25716	18360	12114	19412	11276	14614	6784	10990	14818	16098	17408	6616	8884	7704	16114	18824	11614	14686	24726	836	13400	22408	14654	13000	8682	8356	0	7520	14694	17222	25934	15298	27482	19990	24056	37480	16558	10090	0	18452	26204	13326	8488	8072	27584	19820	19632	10238	23188	10939	0	24958	16000	Phytochemical	0.3529412	1.2941177	0.11764706
18	C17 H22 O6 N2	351.15506	351.15546	-0.048418943	351.15506	86550	76246	76382	75775	67243	54257	79352	82333	41854	90384	71293	52167	57746	41917	87499	95082	75528	58915	86729	86633	89543	101457	70088	105292	71274	110612	62574	70641	90262	76371	84054	91766	122088	89456	99390	69594	107880	64543	92860	75010	84759	50610	1751	628	455	64281	60046	951	85917	82620	85492	90972	65593	548	62384	36018	46623	99639	58628	53243	87504	57604	54416	45551	39673	60175	61300	92193	106721	108468	143366	80385	60195	68995	63470	83904	333	49138	86923	57620	65526	50227	53116	57513	52290	51732	81811	61696	61972	117891	109528	105861	142155	46532	77645	508	79359	72692	51671	42791	46014	100437	55129	84542	36337	93150	46930	984	77516	61302	Phytochemical	0.3529412	1.2941177	0.11764706
16	C22 H22 O4	351.1591	351.1595	-0.10096472	351.15906	24637	27408	23695	20872	18169	10157	17270	22217	16319	14670	16721	24329	10466	11134	20188	27141	27778	8479	17901	26428	21826	19946	19309	27903	18918	44211	21172	11841	15731	23122	23621	23326	21784	13586	18188	19228	22400	16408	33667	21005	34557	16032	527	0	354	14767	17630	0	20171	28013	19610	23459	13711	0	10184	13210	12426	32362	12947	20213	21763	10389	14907	9160	8834	14568	14581	30132	35027	38556	47741	17765	18230	21327	23570	26708	0	12320	28560	21355	22591	17782	20667	14944	21495	13484	25723	15937	12683	39655	22588	26511	0	13818	15463	453	24942	20517	15733	15879	18104	18187	19616	23227	7350	17650	13794	0	24756	13163	Phytochemical	0.18181819	1.0	0.0
22	C22 H22 O4	351.1591	351.15952	0.08332461	351.15912	71196	81000	61808	63926	80468	44690	32267	70463	50068	108398	113557	37424	49232	52447	56095	73695	54802	64139	66960	125574	125973	74196	56192	72071	51477	310458	31102	107619	59415	55591	52235	64549	62350	51040	101408	57046	70398	46502	50355	102764	132208	52855	2931	0	782	65350	79426	0	52417	55608	66245	75667	58526	819	45017	45276	41162	63056	44565	51061	69448	74536	59697	43214	34258	64465	73491	60744	259430	253363	362365	49177	42283	50321	40332	56831	570	39610	69531	75103	54058	51159	46167	80846	63557	46026	73340	64459	52899	75209	61882	62100	91174	75574	74580	0	64487	66150	54866	54298	46492	69383	37168	72765	49994	59900	56246	0	54731	48397	Phytochemical	0.18181819	1.0	0.0
24	C22 H22 O4	351.1591	351.1595	0.076401666	351.15912	55139	58609	43237	51052	58208	41241	18220	39042	39134	78703	112174	22919	55115	33853	31028	49339	36683	50913	61189	84674	94482	59194	39354	50564	32168	260427	18535	99421	37430	35692	33305	34349	44016	37370	85294	42464	50620	26594	40500	78280	97629	40966	3663	0	0	53117	62179	0	37956	35258	53858	58694	48727	0	41601	38510	34455	48025	29604	33399	43143	58672	45670	32009	25138	60193	65554	39416	237490	167412	228899	39838	34906	33618	22088	32430	0	26286	46058	53927	37651	45512	33362	76603	52753	36927	47491	37089	41342	49829	41817	42850	55673	54903	53750	0	49468	60546	40026	40152	36884	52666	22218	60065	36387	41604	46164	0	32375	38264	Phytochemical	0.18181819	1.0	0.0
26	C22 H22 O4	351.1591	351.15955	0.11199785	351.15912	18403	15090	15327	13439	20329	9966	5802	14061	14281	19831	29964	8752	17960	11943	8520	16394	12111	17756	20066	26835	26939	18859	12540	20202	11596	66976	5681	30426	11722	9939	11374	13492	14919	11289	23958	12398	14743	6425	9447	23420	27318	8902	0	0	0	16839	16151	0	12639	11787	13954	16531	14226	0	13075	11800	10908	15089	9416	8564	16597	13827	12765	8356	7800	22781	21343	12513	70734	42728	55758	12960	11312	13209	0	11122	0	10664	13083	19769	13137	11854	12469	21885	17060	7030	17329	12634	13259	13028	12905	9496	18499	22488	10746	0	17834	15190	14227	16746	19184	15357	7799	15877	14893	9772	14291	0	7716	12853	Phytochemical	0.18181819	1.0	0.0
20	C22 H22 O4	351.1591	351.15952	0.08707859	351.15912	65984	73529	57815	59809	54905	37392	40249	57522	45242	81037	81232	42796	52565	36099	43201	78644	57914	45466	56303	83509	84458	59730	49973	77517	43483	219865	33136	75252	51722	49289	40063	50061	52447	47203	90666	50945	57118	39649	54195	73228	98598	37365	2319	597	406	52556	64976	627	56693	57001	68491	66921	40156	274	27379	38676	37128	70120	43292	51205	59361	46326	43376	33793	29665	51575	43878	60487	170259	178959	265720	46450	52900	52165	48773	50298	0	37832	67439	54463	51608	38423	53528	68909	48819	37212	62646	46976	43853	73965	66902	54950	82584	47969	60664	783	60628	58988	43322	42050	51673	59927	42507	65446	34554	62424	42919	656	46493	53038	Phytochemical	0.18181819	1.0	0.0
18	C16 H27 O3 N2 S1 Na1	351.1713	351.17172	0.04069687	351.1713	13837	16369	12208	15158	10431	8395	9667	11019	9255	25090	14033	7523	14068	5534	7778	13883	10522	14962	17363	19934	26171	11482	12435	16967	7590	29711	9723	8607	13697	12278	11441	11564	13701	9683	17200	11676	12022	10868	11223	17164	15275	8986	0	0	0	9669	7229	0	17176	10893	12725	10428	9468	0	13244	10695	6936	16244	12720	7737	12376	9663	12999	8372	5226	8071	9636	7862	26397	30065	33670	12288	10133	10274	9022	14300	0	9681	17007	8734	12459	7856	9332	10043	13878	6288	10188	9479	9246	14416	8631	12618	19808	3657	7627	0	11475	12891	7771	10961	10993	10336	8293	15090	4169	11693	9182	0	9206	9841	Organosulfur	0.1875	1.6875	0.125
20	C16 H27 O3 N2 S1 Na1	351.1713	351.17178	0.042766206	351.1713	9189	6403	4462	6271	8054	5979	5907	8980	6013	10696	5606	3543	9659	3531	8637	8505	5023	6888	10167	20247	18002	8865	6651	10100	5162	14994	3558	8249	11259	8690	8313	9213	12444	5162	13615	9430	7494	5549	6190	12437	12819	7706	0	0	0	6259	3148	0	8260	9602	9812	8240	4844	0	8146	7471	4176	7654	6705	3885	10617	4330	9871	8024	1441	7025	4942	5092	14470	21939	19696	8824	9788	7417	7372	11693	0	5821	7565	3999	5580	5600	5282	0	9077	5168	6422	4858	9788	5142	7290	10321	10869	5146	6691	0	5523	9502	7281	9040	7300	9741	7675	9987	4539	5973	5524	0	7565	11845	Organosulfur	0.1875	1.6875	0.125
0	C14 H26 O8 N2	351.17618	351.17688	-0.075639695	351.17618	4801	5226	5620	3989	3877	10581	0	7772	2824	0	0	2619	9065	0	0	0	1695	40295	7000	0	2863	3919	1904	7452	2412	0	0	1286	15723	3527	10612	10054	19950	30966	1799	8489	17899	0	1936	0	0	4011	0	0	0	1519	0	0	10817	3684	5865	3134	5738	0	2837	926	0	6669	716	0	3556	0	8600	3413	2855	11628	8996	1676	0	0	0	28488	28169	8806	0	9144	0	3397	0	6629	0	0	0	0	1096	0	1100	7808	7960	0	0	4201	7488	0	0	0	4552	4437	656	0	0	6814	0	0	0	7159	1097	0	0	16073	Peptide	0.5714286	1.8571428	0.14285715
24	C19 H26 O6	351.1802	351.1806	0.057428084	351.18024	288836	288540	279125	277894	273567	252249	165718	265929	277227	370130	172737	169144	519455	201699	245856	288712	178274	432834	454048	396461	358934	279063	247160	285147	198760	272749	140920	182261	287884	246599	236590	286239	328465	271323	411431	284776	422248	189460	197167	282123	207783	176200	17706	6683	20583	204885	167211	11447	299085	208101	269469	271340	239863	12774	436078	325865	162022	325282	231774	108237	315482	180988	387442	283412	119214	408385	235224	184363	248122	469284	368190	267548	264939	256224	170033	270524	12739	186223	269400	116391	220965	125495	196110	184599	264792	178162	241953	159070	233360	198141	329943	338601	396181	145541	265645	10739	283111	288481	188263	322490	333192	315604	173488	320222	146107	263760	186236	9854	177689	414923	Lipid	0.31578946	1.3684211	0.0
18	C19 H26 O6	351.1802	351.18063	0.04606458	351.18024	2133059	2119787	2063878	1874685	1622318	1368569	1626840	2147207	1365982	2590589	1637144	1294878	2065872	1153595	1624313	2275835	1918833	2283594	2678249	3440011	3141451	1967557	1732477	2274156	1405571	2801488	1557235	1647334	2124633	1921101	1794970	2066809	2421314	1883993	2463006	2006364	2407765	1454963	2001812	2059658	1828950	1441251	48251	11088	10052	1534842	1302166	11819	2184344	1787436	2047355	1974040	1503222	15015	2315623	1681830	1222365	2352225	1404424	1304012	2161119	1306662	2065004	1678140	965670	1961361	1644608	2090071	2278806	3383660	3292788	1715146	1587636	1879236	2065044	1960316	6732	1255611	2006307	1244803	1590899	1120594	1604731	1526580	1715204	1368237	1958019	1462918	1642801	1906858	2116169	2235295	2491237	1141663	1870829	20628	2097680	1965074	1301564	1879316	2084779	2457806	1253654	2130362	823637	1739139	1256123	11567	1474409	1806871	Lipid	0.31578946	1.3684211	0.0
20	C15 H27 O2 N4 S1 Na1	351.18253	351.18225	-0.4173533	351.18237	1965252	2086238	2050409	1807069	1664544	1586050	1349254	1936112	1685058	2853047	1480323	1235984	2350905	1198533	1693160	1994753	1504146	2380650	2723593	3581882	3378568	2136205	1581312	2032428	1438627	2675272	1253632	1502931	2156873	1746635	1512206	1949076	2281033	1848787	2984229	1842980	2519370	1344727	1488890	2147518	1660704	1440358	49029	18981	10464	1556339	1262174	18122	1956127	1553995	2015998	2014699	1576625	15545	2287147	1791641	1186615	2110492	1541865	1063309	1966540	1357440	2130981	1853157	905792	2024551	1585649	1490305	2114023	3836295	3093449	1677424	1835387	1829521	1659655	1762200	8492	1344644	1806884	1286830	1307998	912035	1531374	1418193	1622610	1200500	1787873	1404662	1598781	1556419	2144763	2133789	2365185	1408395	1956153	23787	2017030	2083307	1347919	1944888	2001663	2234080	1289301	2196251	1034218	1665739	1390716	19645	1321615	2350309	Peptide	0.13333334	1.8	0.26666668
2	C18 H26 O5 N2	351.19144	351.19208	-0.05803898	351.19144	20799	20264	18500	20580	8245	0	18833	30074	8482	21667	12087	15940	12155	4905	20985	18046	22997	11552	13667	29766	31720	28925	17542	25409	16419	10937	12104	12482	25692	20844	20974	24026	30728	21987	28133	23175	24577	15815	27106	23804	23161	10608	0	0	0	18124	18618	0	24409	17817	18466	21810	10831	0	15005	5382	5808	27728	10240	8821	19690	13613	8551	9966	6820	10567	11932	28525	13351	20615	18925	25189	22888	24675	16247	23203	0	16262	19014	14167	16241	9736	14619	13775	5346	7579	19495	11453	11802	42331	26413	35356	47712	17035	19292	0	21201	25983	5912	4904	7402	21859	16326	28677	11544	24298	8171	0	17827	8649	Lipid	0.2777778	1.4444444	0.11111111
4	C18 H26 O5 N2	351.19144	351.19208	-0.03191844	351.19144	38961	37122	36789	33750	18226	19645	24472	47640	21469	44415	20229	25048	20662	13259	50135	47538	30519	27674	25787	59196	56075	60309	28738	48187	38563	23779	25750	18320	40752	28585	36381	40357	46567	30726	62947	41399	43748	37320	36940	46486	34864	20286	0	0	0	39990	38542	0	44825	36728	34871	30319	20356	0	33225	11730	12860	44759	17232	11508	44579	27897	20004	22410	10207	23344	19884	34425	18168	41840	36555	33659	31260	42151	30713	27780	0	32683	31697	24829	27094	16632	22835	27091	15874	15823	32102	18602	21063	45027	59167	56607	72595	31958	49294	0	34267	38175	14415	10861	13906	42131	27269	62365	21777	35348	15861	0	28772	23657	Lipid	0.2777778	1.4444444	0.11111111
12	C18 H26 O5 N2	351.19144	351.19193	-0.07795872	351.1914	40584	38517	38201	37072	14663	19310	29382	59006	14985	48810	23268	27073	11992	13257	29398	38869	42775	19409	26993	68269	58103	61966	28412	49886	33274	21517	23071	24572	45863	42866	45978	51417	59069	49519	61107	49411	52298	32668	49063	59280	42674	20382	344	0	0	46946	39532	0	53655	46058	40260	37931	18713	0	17993	10567	12650	52599	24291	31838	30213	31839	12986	15668	10410	22036	20715	48276	0	44279	33336	47305	43036	49267	32829	43117	0	30896	23544	23377	25527	24794	32562	34396	8087	10604	30821	20565	21768	72859	59962	71536	67511	26297	51471	0	42080	39300	9853	10538	15454	54163	28940	37785	20201	47694	11061	0	35231	16737	Lipid	0.2777778	1.4444444	0.11111111
22	C18 H26 O5 N2	351.19144	351.1918	0.020341223	351.19147	4568	0	2795	2625	0	1409	1165	0	0	0	3940	1589	0	0	1467	3604	1373	0	0	0	2918	2352	1675	4519	2346	0	0	81987	0	0	0	0	1941	2096	0	2178	3367	1734	2496	1747	1465	0	0	0	0	0	0	0	3415	1453	4014	2739	1445	0	0	0	0	2756	1400	0	2611	0	0	0	0	0	0	3203	0	0	0	2163	2215	0	3698	1296	0	0	1547	3931	2175	0	0	0	0	0	3587	1993	1696	3945	40158	45969	4877	2312	0	0	2987	2136	0	0	0	0	1603	1994	0	2498	0	0	3654	0	Lipid	0.2777778	1.4444444	0.11111111
20	C18 H26 O5 N2	351.19144	351.19183	-0.095827974	351.1914	5873	4982	9435	5060	4062	3177	5115	5758	2932	4811	3106	4265	4492	2564	6565	15251	10557	3146	4406	2576	5858	8618	3911	11462	10908	1703	6554	3938	6790	5001	5814	6285	9812	8156	7677	6987	7982	6436	11446	6246	6488	6591	0	0	0	7062	4531	0	11952	8615	5848	5169	5316	0	3200	1258	4331	15567	6587	6371	7540	3106	2584	3271	3385	4188	5913	15268	1415	4220	2374	4221	8081	5143	20837	7033	0	5763	9893	6313	12026	2679	6414	0	1807	2349	7886	6226	7143	14272	21378	19708	18278	3741	4498	0	8953	6610	1522	1290	2079	9602	4006	8326	2462	12446	4025	0	14551	4220	Lipid	0.2777778	1.4444444	0.11111111
28	C23 H26 O3	351.19547	351.1959	0.051016446	351.1955	8035	6620	7242	7929	9515	4170	3798	8664	5568	5636	7226	3906	7958	7452	3179	7769	5476	6185	11144	8114	4837	5381	6937	7395	9347	21021	5562	10303	10678	9835	8496	7921	10375	5158	6324	11658	8344	6006	6577	6613	8576	4920	1420	0	0	3739	4005	0	6652	7527	6240	7294	8590	0	6312	5789	3423	9420	4971	3743	7600	4549	4291	4497	4199	10211	10775	6211	14432	10565	15030	3707	6973	8100	3115	7657	0	5334	5879	5183	5305	6587	5454	6139	7412	5472	8939	5893	5692	7918	5999	5166	14858	6648	4200	0	7308	6301	2767	10446	14446	12415	4203	7202	4916	7636	7355	0	5751	4138	Phytochemical	0.13043478	1.1304348	0.0
24	C23 H26 O3	351.19547	351.19586	0.062281553	351.1955	75522	85075	75683	80447	80486	44822	39996	70805	50309	76603	108802	50014	64339	50633	57363	91656	73807	62251	98584	97791	109835	64422	55003	84071	60978	294445	45019	95590	77656	79213	63786	78863	86461	64540	84002	84632	88360	49550	84224	85084	112080	56461	2149	0	0	69411	71400	0	78576	71687	78221	68663	70566	0	55942	54778	41338	78656	50908	55894	88254	61276	52145	43810	36223	72978	82694	86043	205347	175716	263346	65818	63107	70253	59973	79202	0	49471	74976	75742	56145	50619	54261	79358	64771	44155	87789	60941	73275	79579	68457	65049	92375	62525	76518	0	71506	83380	52583	63905	58923	101148	48079	99615	51467	76184	58058	0	66839	52534	Phytochemical	0.13043478	1.1304348	0.0
22	C23 H26 O3	351.19547	351.19586	0.003126988	351.19547	63442	68583	56466	64985	64937	41385	49688	69844	47037	64050	73020	50811	36089	50693	51975	87893	89908	49014	72052	76372	75223	66515	53553	74998	58811	181124	53045	61499	66716	73327	59434	72877	76132	52891	54965	77495	68105	52764	95457	55042	93740	41176	0	0	0	42712	56878	0	62688	65201	72483	62241	59188	226	45072	50044	45473	75534	42179	64641	70696	40272	42009	39562	37961	60004	66619	92957	135744	126139	198046	49485	50501	53617	64532	71376	0	44643	81334	59106	58576	43675	52566	52392	59997	48235	81536	52582	61366	86079	60742	61601	78214	55228	66421	0	55873	77319	48009	60467	61405	89289	47276	73361	35733	69428	52882	0	63405	38551	Phytochemical	0.13043478	1.1304348	0.0
20	C23 H26 O3	351.19547	351.19583	-0.07519662	351.19543	38772	48895	38861	34306	36934	17622	40697	38614	32652	32684	27190	35359	28919	24317	39370	55501	75724	25910	44582	34000	34340	30299	31907	47607	29589	82269	41865	26854	35003	30659	29102	38868	45838	30432	28664	30709	37330	30010	70938	31357	52557	23343	1007	0	0	24507	34251	0	45766	34851	38902	43452	32108	0	24302	31704	27765	48558	25678	36303	43634	25677	28805	25640	25496	24670	24685	68046	58462	66568	98079	26074	31885	41904	59791	38300	0	26254	61062	39507	43726	24032	33703	30979	39541	25916	64551	27036	31851	67567	46124	32484	47912	25298	36354	0	33408	38159	28595	47618	48979	49884	33243	47811	22203	43492	38905	0	42495	21326	Phytochemical	0.13043478	1.1304348	0.0
18	C23 H26 O3	351.19547	351.19586	-0.11669514	351.19543	18351	18827	14175	16457	9353	4499	20229	16471	10556	12133	12008	14531	8648	8262	14432	31019	39511	11807	9223	19404	14374	11503	15963	18456	16976	24235	19870	13259	18002	21728	18533	23419	19769	9879	11294	19568	15953	18936	49590	12289	15597	15487	629	0	0	10438	12909	0	20429	20516	17082	18187	10140	0	10762	10996	12401	22646	11235	22491	20506	9159	10828	11074	9921	5956	13378	46474	22647	22909	29420	9417	13713	21821	28612	19231	0	11338	29100	13238	25170	11679	17941	9820	21411	12074	29261	11967	14354	40151	15025	14327	24158	11794	12653	0	20663	18021	11545	16926	21040	23230	15580	12114	9544	12476	13897	0	27841	6881	Phytochemical	0.13043478	1.1304348	0.0
10	C16 H30 O8	351.20135	351.20178	-0.07065479	351.20132	0	0	0	0	0	919	0	2043	0	0	2780	0	0	0	0	0	1497	0	1229	8006	0	0	0	2458	0	0	2768	32386	2190	942	1353	1160	3143	1772	0	1161	1773	1349	3016	0	0	0	631	877	749	9174	11535	956	0	1039	3004	0	0	743	0	0	0	2071	0	0	0	8518	0	0	0	0	0	2072	15386	12845	41959	1690	1997	1150	0	1549	614	1003	0	38187	0	0	0	0	0	787	1153	1039	0	3897	10233	0	0	3698	8455	579	2889	0	0	0	0	1095	1028	0	0	1507	0	900	1778	0	Lipid	0.5	1.875	0.0
0	C17 H26 O4 N4	351.20267	351.20328	-0.13721542	351.20264	0	0	0	0	0	12818	0	2375	0	0	0	0	0	0	0	0	1617	0	0	0	1005	1592	1552	1823	0	0	0	9239	2404	0	0	0	2284	1747	910	1918	0	1593	2488	0	0	0	0	0	0	0	0	0	1297	1571	0	1497	0	0	548	0	0	0	521	589	0	0	0	0	0	0	0	1769	0	0	0	2195	1679	0	0	0	0	1171	1889	51015	1427	0	0	0	0	0	1037	0	0	2031	33721	5246	4286	1187	0	0	0	0	0	0	0	0	0	0	0	2516	0	0	1466	0	Peptide	0.23529412	1.5294118	0.23529412
24	C17 H31 O2 N2 S1 Na1	351.20767	351.2081	0.006262841	351.20767	7499	7778	7183	6617	3187	3975	3118	8316	2958	9035	3411	2254	9897	3627	4009	14132	2533	6909	7497	12314	7321	17202	4158	4616	3807	4266	2860	4628	6368	6548	5376	4843	7188	3390	11366	7885	8229	4318	6092	5584	4054	1621	0	0	0	4393	4988	0	5539	4250	4202	5883	3036	0	8204	5204	2709	15664	3369	1935	13516	2021	5733	5972	0	8193	2882	4208	3544	8895	5598	3815	6132	7256	3555	6271	0	1762	3793	1828	2525	1249	3657	3862	3989	0	4515	2340	3710	31405	9268	10805	27747	3104	4046	0	4980	7805	4872	8042	5660	7109	3216	3042	3486	12001	1975	0	4517	5163	Organosulfur	0.11764706	1.8235294	0.11764706
22	C17 H31 O2 N2 S1 Na1	351.20767	351.20804	-0.008130466	351.20767	7460	10168	8111	8214	8149	5893	6525	9112	8612	7102	7674	6926	8852	0	9242	10558	7766	8169	11683	21243	14754	9731	7167	9002	6745	11470	6745	6658	11684	9769	7178	10016	14039	8855	11891	13383	11615	5471	10138	14330	9435	6444	0	0	0	3631	5251	0	11803	8133	8143	9638	8669	0	7907	7852	5994	11405	5394	6968	9994	5373	7849	9143	3793	14193	6821	7485	6419	19565	14528	5501	10762	9942	10924	10283	0	5402	8782	6420	5572	4375	5221	8328	8406	5908	10282	4746	8415	11945	7303	10780	11320	5184	6975	0	6347	9814	4792	12137	11910	12339	4957	8158	2233	8492	5679	0	7973	6717	Organosulfur	0.11764706	1.8235294	0.11764706
28	C20 H30 O5	351.2166	351.21704	0.08361014	351.21664	22008	20689	20096	22642	25009	15523	32830	25045	18168	13164	14999	13711	30191	27845	21568	26759	29299	22698	31451	18764	13919	17599	21776	20904	23154	17084	30665	19203	29509	26010	23265	24619	32452	23716	19136	35736	26827	17940	25728	12034	12071	19411	3296	2767	6495	13462	13189	2956	24854	22795	22766	22282	21573	4496	29244	33582	14292	36240	16884	10276	30141	9824	24694	15729	14049	37506	32214	30676	14015	17954	17113	15258	20400	27701	15970	24136	5882	14051	23775	18000	17020	11766	20606	13049	27116	14235	48689	15708	17484	39388	32323	32729	28859	11938	16848	2427	21117	23832	15427	50786	57596	38039	13590	21662	18272	25936	20395	2863	19359	16783	Lipid	0.25	1.5	0.0
14	C20 H30 O5	351.2166	351.21704	-0.076540194	351.21658	33362	36969	33302	35431	18620	10312	48055	39043	13446	8591	18887	30735	15592	20013	28402	55996	75253	9882	16045	12529	12088	24124	24788	32506	36216	17664	51356	11905	29771	43816	27912	40489	32802	21503	10898	35770	28603	27587	72889	12160	12653	20704	0	544	732	16240	15549	865	34686	37825	38988	29758	15162	693	24967	20145	19611	49937	13380	23088	28579	4114	15067	13116	17142	18305	19875	72113	0	12559	19543	14432	25373	42176	74311	39186	531	20432	45887	19540	35700	17242	34035	23461	37257	26461	61448	15477	18000	141659	26916	22883	44720	11804	14942	874	39190	34629	19645	43811	53971	33226	23326	25515	0	35425	21038	633	51249	8337	Lipid	0.25	1.5	0.0
24	C20 H30 O5	351.2166	351.21698	0.021511232	351.2166	670233	653598	629001	662796	677588	526092	792011	623822	546706	703955	443459	346121	917781	652167	539765	764980	545933	838138	1092002	945436	837452	578877	453249	563091	554296	482940	706221	567227	777818	689836	571651	826091	947410	662089	844621	898603	992680	451719	623370	561597	417993	465062	31045	6790	5954	433924	354658	7992	795774	497103	651786	610073	578243	14832	898539	617300	384780	854108	510636	303349	772256	379758	725568	589329	355044	933596	790369	581071	359706	709943	492805	488599	606369	690868	563598	678671	4968	438325	546011	433930	397123	374302	639542	510576	594717	490176	684831	415085	655517	731911	1002109	1002133	781789	407356	610769	8439	676404	710711	479117	694760	763079	1077468	357282	683076	488149	634082	484473	6002	566407	629022	Lipid	0.25	1.5	0.0
18	C20 H30 O5	351.2166	351.217	-0.0594284	351.21658	209503	197344	189781	164431	152042	114904	330090	234849	110045	107685	105298	149751	157040	145210	179300	306363	408014	151727	214712	134460	122343	145433	156958	233196	188630	165343	321556	105175	203202	210599	183001	231959	218548	189759	112091	264615	215014	155637	441549	81972	126134	142678	8658	1584	1319	102620	120642	1755	221242	189899	211710	204530	143021	2148	186088	176517	126718	274587	93534	151901	245580	61369	171709	137332	130490	170065	174703	466214	99715	124829	160990	126631	138011	239939	432425	212844	1161	127330	242165	147292	169062	99703	299382	227723	207754	186386	325270	133319	150587	486580	219497	191610	278450	99040	128654	3001	194604	193589	139229	242290	323915	277385	126279	141285	76222	198640	150664	970	228784	119092	Lipid	0.25	1.5	0.0
20	C20 H30 O5	351.2166	351.21698	-0.026448522	351.21658	452647	436920	436153	380960	371617	286095	716554	465851	296591	283315	233417	318090	355482	381252	369225	635264	734872	377422	483898	335895	347212	335670	269182	441871	368286	424435	717873	250520	490161	460819	324909	514890	507619	426933	290036	498492	495916	323804	730514	229115	310618	337607	18638	3665	1883	234175	289739	4223	451685	359571	429813	411394	329294	4292	387340	387713	313850	575755	247151	310123	480685	164093	370842	315578	331968	427524	403636	756220	249921	351730	394678	308416	389570	481448	846264	420680	1737	285496	433624	366875	301357	193699	744887	512039	466715	385860	585065	324268	373215	779408	513292	446661	537353	256063	291748	7015	435952	442480	305076	564729	747586	707607	280843	398707	209445	438114	380538	3915	422517	316583	Lipid	0.25	1.5	0.0
22	C20 H30 O5	351.2166	351.21698	-0.017058473	351.21658	732772	724637	651183	692923	671431	510978	1116100	737278	540381	620831	457919	432515	630893	632757	567388	856066	918501	764029	811527	768778	773340	638410	497508	623411	621427	671396	1068649	520050	816114	742478	588863	806876	911455	719429	599418	918844	899868	527539	941505	474962	515335	536307	31123	3980	3734	424008	476842	6542	789466	616127	727103	666010	607337	7567	776382	659660	461686	919738	437454	441057	814375	340360	709994	570802	440658	813092	764739	994756	457236	798538	701178	506929	634520	701159	868375	738877	4069	466264	609574	525043	445035	364745	875346	687690	665763	602010	825613	549127	648956	1167421	896830	905889	938639	441326	642214	9973	668213	739786	580025	884998	845905	1088628	445354	696646	395723	708705	580672	6003	658016	619118	Lipid	0.25	1.5	0.0
6	C19 H30 O4 N2	351.22784	351.2284	-0.07223841	351.2278	5740	6009	5803	7343	1670	2572	4074	12468	1238	3300	1668	4594	1484	1246	6499	18980	5250	2819	4303	5792	4767	8218	4986	16769	10857	1523	5254	0	6187	5911	7352	7674	7215	4106	5520	6529	7809	4803	7805	4106	1842	1783	0	0	0	5534	2359	0	10067	5032	7212	7166	2365	0	2188	961	1561	19187	0	0	17533	1868	1009	1382	1051	1687	3393	9771	0	5232	3179	6708	4836	4112	4792	3648	0	5071	6711	2909	4205	0	400	2081	606	1542	8360	2011	3433	42647	11717	3983	31593	2678	7436	0	5719	6027	1268	920	1900	5980	3577	6596	0	16412	1127	0	10966	3088	Lipid	0.21052632	1.5789474	0.10526316
20	C19 H30 O4 N2	351.22784	351.22818	-0.069587864	351.2278	1755	1706	2610	0	0	1237	2549	2402	0	3138	0	2092	0	0	2127	6264	9908	1703	0	0	0	2931	1640	4471	2266	0	2917	210538	3569	3362	0	3644	4998	2247	0	2127	4261	3439	6455	0	1453	1634	0	0	0	3830	0	0	4107	4062	0	1966	1296	0	0	0	0	5243	1001	2693	9434	0	0	0	0	0	0	6356	1381	0	0	1833	1686	3578	3219	1724	0	1243	1644	2061	2340	2339	1299	0	0	0	4569	1304	0	10882	9606	9311	3456	0	2105	0	1884	3032	0	0	0	4498	1639	0	0	3133	0	0	3389	0	Lipid	0.21052632	1.5789474	0.10526316
8	C19 H30 O4 N2	351.22784	351.22833	-0.07316202	351.2278	7218	5502	5166	6121	3986	4519	5236	11328	850	4320	0	3335	2445	2052	5765	13313	6731	3825	4375	6527	4787	7399	5826	11228	10715	2593	5439	2819	6889	7212	10259	8062	8366	5493	5185	4975	9645	4874	6704	4715	2416	2350	0	0	0	4165	3730	0	11350	6673	6064	7185	1881	0	4118	938	1291	16261	0	0	16547	1711	2172	1772	0	3260	3036	7309	0	5102	3066	9091	4581	6953	7437	8550	0	4562	6327	0	5133	0	898	3683	0	0	7950	2552	3205	26571	11660	0	25222	3227	5093	0	7586	8307	1420	0	0	7103	2965	9770	0	13499	0	0	6928	1178	Lipid	0.21052632	1.5789474	0.10526316
10	C19 H30 O4 N2	351.22784	351.22827	-0.0326021	351.2278	5792	5855	4395	4203	0	2172	2609	11370	1099	3047	0	3555	0	1406	6989	9599	5112	0	1985	3624	3970	8620	3940	12373	9136	1273	3023	3286	9292	6679	4894	6622	9866	3932	4689	8050	7973	4339	5505	4265	0	3930	0	0	0	3208	2502	0	9211	8667	10255	3424	1282	0	1959	0	1656	14259	0	0	0	1215	1051	0	1982	2218	2884	8240	0	3632	3722	6967	5485	4938	4879	7678	0	4550	5148	0	5829	723	0	2596	0	1903	5641	2716	3164	30796	16116	4751	24727	4188	8287	0	6460	4631	0	0	0	5899	4268	8049	0	10751	0	0	6187	0	Lipid	0.21052632	1.5789474	0.10526316
12	C19 H30 O4 N2	351.22784	351.22818	-0.1518619	351.22778	3004	4739	0	3875	935	0	0	6700	1017	0	0	3398	0	914	3586	5493	5009	0	0	2280	0	5112	3308	6575	7886	0	2783	0	5712	2910	2488	5357	7153	4973	2970	4104	4362	2668	7923	1590	0	1103	0	0	0	1870	0	0	8616	3270	2767	0	0	0	2026	0	1368	7112	0	0	0	0	0	0	739	0	1233	7923	0	2408	2092	3543	5130	1671	4449	4177	0	2849	7636	0	3265	0	0	1283	0	0	8471	3500	2206	60896	8370	0	11118	3107	2034	0	2349	3457	0	0	0	2688	2625	0	0	7055	0	0	7146	0	Lipid	0.21052632	1.5789474	0.10526316
4	C19 H30 O4 N2	351.22784	351.2285	5.34056E-4	351.22784	7725	7022	6339	5952	611	977	5632	13440	363	3596	1695	6641	681	0	6468	20038	8889	592	2005	4645	4939	7097	7075	21349	11795	1404	6032	0	6842	5738	8531	7268	6361	6605	3886	7675	6313	6862	9413	2840	3057	2301	0	0	0	3920	2090	0	11469	10918	6601	5642	1152	0	1303	618	1063	14710	0	0	18302	2032	443	1099	0	988	2158	12264	0	2964	2055	9275	5499	9819	7640	6171	0	6280	8955	0	9964	838	1431	3610	583	1109	8127	2495	1677	22053	11911	3520	21187	3451	6689	0	6241	6663	0	793	786	6906	5210	7075	0	11264	501	0	14128	475	Lipid	0.21052632	1.5789474	0.10526316
28	C24 H30 O2	351.23184	351.23227	0.031891614	351.23187	8767	9086	8229	9060	11633	3853	7779	12625	9256	2948	9422	7147	7224	5725	8376	10486	11605	5169	14228	5719	6226	4933	6344	9361	12500	25483	7749	9059	13488	18489	7591	14848	14748	10246	4317	18855	10115	9245	11870	5508	7750	7655	0	0	0	4590	5280	0	11458	13959	7281	8112	9578	0	6806	8083	5697	11108	6648	4300	11128	5217	4519	5113	5779	9341	12820	15207	19075	8494	11964	5339	6355	13243	5873	12473	0	5203	10930	13277	6079	7457	8506	7413	13677	7833	17398	5890	6821	12874	4818	7707	11215	6894	4132	0	8705	9550	7240	11869	16741	18533	4679	9905	9746	11774	10542	0	7717	4748	Phytochemical	0.083333336	1.25	0.0
20	C24 H30 O2	351.23184	351.23224	-0.0039868	351.23184	6297	3460	5758	4608	5621	1775	5567	4520	5325	2665	2546	4775	0	1954	7653	11008	21905	1904	3949	0	0	1367	3277	3192	4174	1564	9783	2616	3715	6756	4709	5630	3361	1983	1655	8362	4272	7424	22354	1339	3922	4251	0	0	0	0	3420	0	5753	5739	3930	4273	2406	0	3020	5700	3849	5595	2658	7521	2784	0	0	4252	7830	2317	4134	23978	2405	3367	9303	2428	2289	7978	18222	5943	0	4878	9313	4033	6535	3097	6405	0	5194	5430	13091	3663	2828	18872	3545	2641	5261	2224	1708	0	4740	8287	3998	10800	8963	7583	5325	3341	1632	6023	5299	0	5402	2911	Phytochemical	0.083333336	1.25	0.0
24	C24 H30 O2	351.23184	351.2322	-0.05838978	351.23184	33092	35473	32106	32241	33116	17459	29022	37837	25986	13685	34477	31471	15042	22463	33558	58239	85669	27402	47011	25958	35119	24272	26245	34801	32440	65125	32134	27208	33547	49635	29616	43565	40082	29544	22170	46439	31690	27966	84091	22295	34239	22239	0	0	0	19060	21020	0	43537	38192	29125	33308	34494	0	23065	24860	21900	44797	18512	26081	42829	14845	14449	22064	20690	21869	31835	90790	41026	32676	54900	22148	29252	40126	54437	44780	0	26050	46228	28021	30935	23192	24458	19714	38468	32795	59571	27046	35012	72674	24352	21587	46061	22615	24874	0	33078	35072	27799	43238	41156	57306	28911	34424	16635	31038	34529	0	43439	15015	Phytochemical	0.083333336	1.25	0.0
26	C24 H30 O2	351.23184	351.2323	0.064662	351.23187	33090	33311	27322	28217	35484	15072	25885	45296	27470	16551	33480	29504	15172	18383	25988	44331	54316	23658	47771	34311	25569	22316	23183	33728	34132	91311	28768	37840	37233	54241	38829	41145	40286	32109	24577	55469	40321	26171	58190	23772	32333	22113	0	0	0	18103	24950	0	40883	44558	34442	34284	34118	0	23865	30127	19774	44810	22198	22592	36882	17544	20144	19946	16727	23450	30699	67683	60214	40138	54798	25318	32987	50157	41491	41420	0	21122	42107	33544	24045	27687	27494	25312	39422	27129	54724	28878	33259	58177	28722	25709	40100	28712	17488	0	32404	30589	25731	40440	44475	60437	20729	36212	21469	33527	35612	0	38292	20581	Phytochemical	0.083333336	1.25	0.0
22	C24 H30 O2	351.23184	351.23224	-0.062523715	351.23184	15187	22465	18293	18334	13658	4892	16529	15714	15188	6681	15733	16395	7685	8335	21604	32124	60305	8129	17182	9415	10300	8174	14023	15410	19603	18594	25678	10610	16942	26308	14698	20786	18497	10235	6118	27183	17546	16465	56383	9534	16464	13005	0	0	0	8334	11742	0	12650	20837	18901	19829	15560	0	11094	13882	17736	22815	7679	18509	20948	6107	10439	10464	12301	6268	11015	64612	14123	10745	31302	9288	12080	18091	35122	24453	0	12860	25363	10532	18292	10946	14271	9280	24165	16053	29289	11529	14288	51295	15703	10969	19347	9144	9349	0	13374	15138	14075	20951	24112	32780	14483	19611	6717	15246	20998	0	26099	6232	Phytochemical	0.083333336	1.25	0.0
24	C21 H34 O4	351.253	351.25336	-0.02604219	351.253	115691	108433	104636	109250	67867	60260	1153161	78252	38074	63598	85240	37400	58934	281263	73664	88667	116480	58098	90624	69968	63632	68327	39602	54132	92265	155898	1150834	150514	85603	81314	56430	99156	96717	81354	60703	109744	88887	72298	149883	44829	92857	68924	16507	0	0	52166	60674	2993	91136	69672	118309	109876	102563	5711	57971	67315	86737	112183	60002	98638	140264	47141	145158	38481	253967	127190	175547	124548	51453	64572	90208	44785	62597	93012	90802	82472	0	48347	55526	169217	41625	94181	327973	353764	74918	96343	122484	59974	84934	159402	212918	172866	97590	61010	78515	3927	111854	118765	72773	64464	117811	115434	37727	111852	77407	79863	95470	0	65287	72845	Lipid	0.1904762	1.6190476	0.0
26	C21 H34 O4	351.253	351.25342	0.059685733	351.25302	124877	114769	122044	102945	71031	52769	841536	102401	79267	63410	120900	53239	65057	201814	166027	121441	291141	59540	94355	88338	73030	78660	45687	58223	121899	120882	797486	219927	126891	113741	72442	121233	127526	88572	85993	126190	132832	215848	353435	72821	113298	153314	22339	5707	0	68887	77514	0	104705	89010	129704	110181	73373	0	82809	94601	108268	125785	114572	103754	135793	78416	127293	51059	162237	137020	193887	248712	77216	68699	81374	53426	69562	139269	99265	101447	0	66761	106916	209592	58516	120705	227266	190534	164791	90999	172104	55630	76741	127632	259490	247414	100587	78177	86492	5758	130584	131032	134904	75627	107871	159107	76628	144825	173499	74110	80218	5123	153098	55979	Lipid	0.1904762	1.6190476	0.0
22	C21 H34 O4	351.253	351.2534	-0.036333293	351.25296	42231	47037	35675	41548	18909	17888	415173	26614	8444	9943	18059	14162	15055	77954	22613	35466	63381	11099	19127	11749	9911	18390	17742	23069	35151	71447	428594	34640	34380	34931	17344	31687	29879	27707	10761	42378	23090	27139	68067	8124	27579	21829	5080	0	601	17527	19258	0	28313	26540	45126	42435	24751	806	10123	27763	77745	37782	9762	31489	45245	12018	51905	6666	213156	31337	44008	67140	13771	15749	26755	17860	16584	31665	52921	28696	489	20127	23882	56221	17146	26065	195340	210201	64455	119126	50036	16899	20400	66885	52961	45613	43401	13850	15152	0	41645	37271	30362	62281	221892	41400	14171	26672	16606	31419	132036	0	29775	15326	Lipid	0.1904762	1.6190476	0.0
28	C21 H34 O4	351.253	351.25342	0.02128863	351.253	17274	16647	16176	15114	12013	8754	95984	19578	13050	7960	22748	8595	12546	20025	27697	18838	29188	12260	16346	13289	11989	16620	11327	11019	24356	21218	66920	42950	22017	17708	11672	17061	19500	17485	14119	24364	17983	28343	26471	12163	14411	18727	4590	3211	7333	12887	11463	3488	14042	14754	16568	16882	14866	6618	18105	18304	12535	20901	30738	14110	20448	18560	13286	12148	17079	24863	30870	30040	13357	10448	11727	8314	11684	24309	15751	15888	7656	11327	21340	40143	11441	20082	25183	23668	20601	14296	34272	9004	11230	17301	45984	44602	15871	19191	14723	3391	18254	20353	18007	15265	24514	27610	10126	22481	44103	15028	16110	3260	19832	8698	Lipid	0.1904762	1.6190476	0.0
20	C21 H34 O4	351.253	351.25336	0.03146136	351.253	10019	6170	7198	6264	2957	2332	71451	4339	0	0	2723	2774	0	9706	4402	7838	19186	0	0	0	0	2942	1589	3830	7426	10423	59815	5656	6931	7783	3446	9935	6013	3040	0	6405	3945	6013	20150	0	3574	2551	815	0	0	0	0	0	5889	7213	5828	7142	3470	0	0	2547	3930	7923	2321	5540	5232	0	2227	0	13564	4668	7157	22822	0	0	2901	4392	4898	9003	20522	5990	0	1701	6538	7962	2744	3405	53627	64134	3700	5026	14194	3080	5265	25218	5976	3222	7093	1417	0	0	5621	4805	3558	5903	7524	4481	1661	1993	2224	7209	5166	0	8718	0	Lipid	0.1904762	1.6190476	0.0
10	C20 H34 O3 N2	351.26422	351.2646	-0.102326885	351.2642	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	854	0	0	0	0	0	0	0	0	1109	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1223	0	0	1209	0	0	0	0	0	0	0	81274	1238	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1061	0	0	7945	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25533	Lipid	0.15	1.7	0.1
26	C25 H34 O1	351.26825	351.26843	-0.023130145	351.26822	2084	2534	3029	2445	0	0	3610	0	2065	0	0	0	0	0	0	0	7871	0	0	0	0	0	0	0	0	0	4823	0	0	6327	2822	0	1965	0	0	7255	0	3328	9041	0	0	0	0	0	0	0	0	0	2407	6193	2497	0	0	0	0	0	0	4810	0	0	0	0	0	0	0	0	2355	12220	0	0	2631	0	0	0	6918	2852	0	0	4550	0	3473	0	0	0	0	0	13079	0	0	21695	2589	1843	0	0	0	0	1818	0	0	3774	0	0	0	0	0	2483	0	0	8083	0	Lipid	0.04	1.36	0.0
24	C22 H38 O3	351.28937	351.28973	-0.044119585	351.28937	2656	3113	3747	2503	0	1374	99324	1249	0	1538	7107	943	0	33300	0	0	6277	0	0	0	0	0	0	0	0	9268	102746	13629	1222	2022	0	2334	0	1001	0	2304	0	1817	5187	0	5526	2230	0	0	0	0	3230	0	2303	0	3010	3935	0	0	0	2103	2779	0	0	3637	5365	1972	6069	0	33757	2429	6064	3314	4584	0	2640	0	0	1840	3844	1803	0	0	1612	18071	0	6131	13573	17169	0	0	5198	0	2295	7021	6389	4938	0	1520	1421	0	3051	3273	4068	0	0	1250	750	5108	1960	0	0	0	0	1672	Lipid	0.13636364	1.7272727	0.0
28	C22 H38 O3	351.28937	351.2898	0.035090156	351.2894	14858	11843	14881	11382	11113	10998	135760	17099	10373	9748	28024	10950	10209	25732	18186	17195	21003	9477	12499	14089	13464	9885	14385	12198	15612	30142	103017	54988	15288	15964	11381	10623	11623	10009	11557	17422	10205	15033	15858	11087	13185	18492	12107	12052	21511	14913	14482	13908	11827	18145	14437	12408	12063	26806	11857	15321	12100	13963	15328	16194	22306	13879	11224	9740	27740	11718	16425	13013	26624	10160	11550	10684	9933	19112	15599	13110	25160	11185	14685	40091	10579	21409	18654	19836	12998	12551	24034	9080	12687	16043	27865	24332	13381	17561	12747	13208	13937	17719	14594	8296	16130	14768	14185	23859	27340	10323	11128	10807	12852	9809	Lipid	0.13636364	1.7272727	0.0
26	C22 H38 O3	351.28937	351.28973	1.84027E-4	351.28937	17943	15328	18974	15631	5458	6017	408712	7478	3673	5831	42411	6556	6484	124167	8484	6000	17271	0	5112	9241	8133	5213	0	0	9961	43706	398264	74548	11052	7866	4820	7338	4700	4534	4500	9798	3948	13882	24692	3999	24142	11026	5828	0	0	10306	15874	0	7211	7968	19033	18716	5968	0	0	17746	15723	6432	6692	26794	39466	10425	34482	3334	136187	8698	30933	19141	33889	9940	18550	3263	3890	10512	11145	6466	0	5220	11076	52383	6669	34656	39609	53686	0	0	22936	7234	7301	15637	28543	21879	5869	15632	14169	0	19566	22326	26751	2700	4473	9361	7723	30793	25311	4408	0	0	12653	6527	Lipid	0.13636364	1.7272727	0.0
12	C21 H38 O2 N2	351.3006	351.30115	0.030910183	351.30063	2104	0	2431	0	0	0	0	19355	0	0	0	0	0	0	1019	1916	0	0	0	0	0	0	0	23381	11569	0	0	0	13331	5097	51408	6074	2072	8424	0	11876	2891	0	0	0	0	0	0	0	0	3699	0	0	5241	6243	0	1524	0	0	0	0	0	3015	0	0	0	0	0	0	0	0	0	0	0	0	0	6461	6168	12866	36274	6307	0	0	1217	0	2899	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1855	0	0	0	0	0	0	0	0	3779	0	0	0	0	Lipid	0.0952381	1.8095238	0.0952381
26	C23 H42 O2	351.32574	351.32578	-0.15367725	351.3257	0	0	0	0	0	0	49189	0	0	0	4393	0	0	6558	0	0	0	0	0	0	0	0	0	0	0	8441	41959	4512	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21020	0	0	0	6079	0	0	0	0	0	0	0	0	0	0	0	0	0	2316	4976	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3725	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.08695652	1.826087	0.0
2	C20 H10 O2 N1 S1 Na1	352.04028	352.04105	0.3639358	352.0404	3088	3923	4126	3389	0	748458	0	534	0	0	0	4690	0	0	340	2165	0	0	736	0	0	0	0	1269	257	0	0	0	1174	663	5071	1526	2903	0	0	751	2912	0	0	0	0	159138	0	0	0	0	0	0	0	0	3935	3542	328	0	0	0	0	22152	0	0	10092	0	0	0	0	0	89105	0	0	0	0	0	0	0	0	596	0	5846	0	0	0	0	0	0	0	0	0	0	825	0	0	0	5896	0	0	0	3027	4085	0	0	0	1948	4106	0	0	13162	0	0	0	0	Organosulfur	0.1	0.5	0.05
18	C15 H13 O7 N1 S1	352.04855	352.04904	0.12413555	352.04858	2108	0	3535	4489	6619	3509	0	0	1506	5614	5320	0	4483	1402	0	0	2341	7010	3102	1880	0	14924	1186	3489	1420	1713	0	2948	0	0	0	0	2020	0	12353	0	0	0	0	12077	11613	0	0	0	0	2447	4877	0	0	0	2044	3759	1984	0	2701	2020	1306	3169	1967	1657	0	7218	4049	2747	1094	3767	0	0	2025	3771	5517	0	0	0	0	0	0	1140	3022	17519	1945	2328	1775	5851	4043	0	2115	2761	2415	3256	0	6943	5176	14313	26623	0	3402	2428	0	3230	1506	1485	0	1712	2263	2548	2026	0	1461	3608	Organosulfur	0.46666667	0.8666667	0.06666667
16	C15 H13 O7 N1 S1	352.04855	352.049	0.11449956	352.04858	2257	2857	3718	2699	4952	1969	1539	1793	4340	7984	5604	0	4020	2550	0	2416	0	4216	5398	0	6004	19438	1188	3417	1439	0	1584	3505	0	0	0	0	0	0	9534	0	0	0	1634	8703	13095	0	0	0	0	0	4068	0	2035	0	1823	5164	3456	0	2129	2592	1149	2437	0	0	0	5525	4545	3818	1098	3083	3540	2093	4333	4162	3090	0	0	0	0	0	0	0	1958	20056	0	3299	1978	4608	3288	1698	0	1535	2000	0	7530	8890	0	20774	19445	0	2061	2557	1733	3378	2858	0	1143	2133	0	0	1050	0	3184	6303	Organosulfur	0.46666667	0.8666667	0.06666667
14	C15 H13 O7 N1 S1	352.04855	352.0491	0.13723934	352.04858	5337	2874	1730	2415	6399	1620	0	0	3115	9564	6724	0	7870	0	0	2185	1825	2984	5404	4778	6031	18940	1273	3734	1243	1972	961	0	0	0	0	0	0	0	12315	0	1721	1829	0	10672	11940	1164	0	0	0	4867	4265	0	0	0	2087	2640	2509	0	3374	1908	1587	0	0	0	0	6225	6683	3371	1472	4030	0	0	0	3176	7955	0	0	0	1257	0	0	0	1960	0	1034	3652	2181	5170	2928	0	2431	3797	1793	0	3604	8667	6154	20440	22060	0	4434	2563	2011	4445	2770	0	0	2153	0	0	2596	0	1624	10336	Organosulfur	0.46666667	0.8666667	0.06666667
14	C15 H13 O9 N1	352.0663	352.06683	0.10884028	352.06635	18167	17398	17936	23118	30556	21590	5182	6024	42094	22602	19994	11115	60699	12334	13280	14115	14261	52522	45702	15412	32323	45378	18353	10153	4351	0	4444	0	3695	5183	7028	0	16249	4182	34819	7353	12108	8327	15387	15969	36387	19773	0	0	0	10309	23079	396	7454	3491	15197	18875	27079	229	48360	27663	16685	14181	6799	11050	0	18387	68490	55563	14831	42866	25690	13891	0	2811	6834	4141	3766	3202	10365	5196	0	9416	18607	29069	11914	8944	4062	2792	40076	15064	17926	20619	22768	29825	8872	15926	20780	55280	30693	0	19424	12782	21953	36702	29625	16421	9642	3615	0	16925	24323	0	4127	73627	Phytochemical	0.6	0.8666667	0.06666667
10	C15 H13 O9 N1	352.0663	352.06686	0.14021675	352.06635	17925	11456	12583	13516	24045	12768	1655	1704	35417	19383	21971	6641	52221	6634	3856	4139	8302	29923	28855	8273	27666	34227	9676	5197	1362	0	2208	2931	1641	2939	3962	3697	10081	2372	33526	2155	9035	3626	5129	12404	32739	13406	0	0	0	4665	15428	0	4832	2214	15995	15497	16500	0	33521	27296	11229	7485	5545	9179	8474	11786	54044	40899	10236	35612	11589	12076	0	1398	6874	3533	2322	1162	4140	2027	0	2861	10862	13964	8574	4327	1961	2680	26998	8593	9196	14098	15113	19432	0	4999	15366	36615	23539	0	12583	15154	17785	34491	25573	10500	6782	4419	0	9623	17965	0	1993	56413	Phytochemical	0.6	0.8666667	0.06666667
18	C15 H13 O9 N1	352.0663	352.06677	0.053835966	352.0663	5813	3664	4076	3762	12441	7163	3284	2733	14153	4072	4375	3388	28019	7206	1508	5426	5564	17688	19264	3486	5675	15148	5613	4544	1801	0	1134	0	0	0	0	0	6030	0	10783	2217	6565	2204	5411	3965	9888	5937	1016	0	353	2137	6726	796	2758	2044	7215	6537	8085	0	20778	12301	7519	6539	1602	2979	6529	5006	32729	19606	7393	18325	7029	4900	1505	0	1894	1269	0	1552	5005	0	0	4373	6407	10779	4648	2425	0	0	14355	4859	9109	10993	8408	8815	3899	10125	7149	14244	7365	0	5774	4138	7042	16671	13377	4559	1806	2068	3268	3608	9137	388	2578	28455	Phytochemical	0.6	0.8666667	0.06666667
16	C15 H13 O9 N1	352.0663	352.0668	0.13286671	352.06635	13995	11638	16164	13785	21989	12699	3792	3623	29215	16389	13712	6468	39059	8289	6806	7814	5350	37489	34504	4545	14916	39888	14001	9515	3411	0	3926	5047	2394	2525	3083	3233	9763	1954	15545	2759	12682	11082	4255	7816	18323	14706	724	0	613	4051	14354	627	6194	3106	15257	13284	19475	0	34851	20766	10521	10799	2887	5828	0	9144	52019	32412	13698	34331	14707	6605	2988	0	3712	3855	2485	0	3386	3819	311	6334	12645	24263	7572	4909	1621	2001	29695	9530	15978	15458	12299	0	0	8403	0	34012	26972	0	13571	11688	14434	22976	24274	9545	4184	2635	4335	0	14787	0	3229	57184	Phytochemical	0.6	0.8666667	0.06666667
8	C15 H13 O9 N1	352.0663	352.06693	0.20519336	352.06638	7028	4942	3472	5313	10752	5398	872	1671	17070	6209	7177	4208	23872	3260	2035	1393	2759	8671	13222	3490	10428	14074	2847	2948	0	0	877	0	0	1347	1252	0	2422	1606	11624	0	3249	1677	2642	3223	13805	6066	0	0	0	3698	6539	0	1133	1256	5299	6214	7696	0	19990	19593	5450	2760	1908	2617	0	4797	38412	25043	4820	17656	4614	3165	0	2001	2841	1202	1387	0	1151	0	0	916	3241	3995	3522	2534	663	1247	16134	3638	2728	7786	5938	4546	0	0	5317	13268	8104	0	7794	6746	12391	23181	13200	5286	1590	0	0	3505	7210	0	762	31659	Phytochemical	0.6	0.8666667	0.06666667
12	C15 H13 O9 N1	352.0663	352.06686	0.14739147	352.06635	18007	22117	18449	20880	32992	12586	3160	7014	43390	26317	32405	12952	62676	11968	5477	11976	15799	44160	50419	13641	40970	60257	11949	10125	1305	1236	2747	0	3000	4182	5366	5148	15930	3173	46987	3907	16282	7733	13737	14692	49027	22491	534	0	0	5059	25797	0	8044	5630	23763	19089	26471	0	57425	31667	16539	12867	5649	12768	0	20652	78386	51263	13010	50853	23483	18816	0	2073	9744	4622	2972	2568	7242	3091	0	11363	18373	34019	12362	5901	1479	3478	31698	12499	16071	23797	24291	22411	3684	14843	24356	66333	37565	0	23426	18053	25315	34490	29809	14527	10078	6127	0	18953	24153	0	5701	80744	Phytochemical	0.6	0.8666667	0.06666667
20	C19 H13 O6 N1	352.08157	352.082	0.11002435	352.0816	1830	3913	4357	2574	2801	1568	1579	0	2763	4938	7820	0	0	1963	1547	2334	1642	0	2807	4963	4187	7748	1716	2264	1836	4208	0	5001	1735	0	0	0	3515	0	6939	0	2070	0	3257	4406	13634	3214	0	0	0	3589	10657	0	0	1577	2913	3124	2693	0	0	2449	2032	2216	0	3548	0	4401	3008	0	2061	3895	2046	3382	11908	6472	20571	1497	0	0	2190	0	343	0	4624	10179	4111	4746	2108	0	3209	1631	5009	4500	3737	6856	2402	3261	3853	14480	9027	0	2866	2248	2283	3246	1949	0	964	1807	3656	3217	1848	0	2162	2873	Phytochemical	0.31578946	0.68421054	0.05263158
18	C19 H13 O6 N1	352.08157	352.0821	0.13592337	352.0816	4392	3744	4949	3665	4032	1887	1043	2471	5816	6735	7012	1649	1765	0	0	4900	3370	3493	4695	3116	7332	10587	2731	3182	0	15777	0	5545	3199	0	1341	0	1624	0	7616	0	3280	0	3385	7859	18817	2731	0	0	0	4243	9023	0	0	2001	3965	5152	4044	0	2409	3704	3759	0	2198	4097	3880	3371	6055	2650	1186	0	2185	4169	14315	13875	31070	0	0	1789	2432	0	0	1053	5441	7945	3499	4299	0	5401	5085	1670	4496	3780	3757	8602	3569	2816	0	11408	11142	0	3882	3251	3136	2502	1471	2221	0	3011	3682	2505	1351	0	2211	0	Phytochemical	0.31578946	0.68421054	0.05263158
20	C16 H17 O6 N1 S1	352.08493	352.0854	0.19512889	352.085	9430	9298	10534	4504	10400	5870	4710	0	5284	27596	19430	0	6354	4708	3036	4074	4420	12116	8350	7466	8092	22868	3268	7820	7572	11038	3820	13614	1427	0	2754	0	3780	2968	17488	0	6918	3076	0	18354	33498	3840	0	0	0	9270	13236	0	2892	2632	12726	6098	10264	0	8504	5906	1804	6750	2442	11866	7312	17190	10120	6640	2436	7804	8184	3274	11276	12872	19518	0	0	0	0	0	0	2602	4502	21610	4022	10452	5830	17588	12794	3000	6920	5930	7332	10426	24324	18506	12850	27694	30588	0	11236	0	4734	4476	5968	4224	2144	9940	11108	4750	5868	0	4204	5962	Organosulfur	0.375	1.0625	0.0625
6	C20 H17 O3 N1 S1	352.1002	352.1009	0.26295552	352.10028	679	0	0	801	0	0	0	0	596	0	0	0	0	549	550	0	0	841	0	0	1032	0	0	0	0	0	0	0	0	0	0	0	0	0	1043	0	0	0	0	0	1073	0	0	0	0	0	0	0	0	0	0	0	498	0	0	0	0	1376	1107	1165	0	0	758	0	849	0	1018	0	0	0	0	0	0	811	27839	0	0	0	520	0	0	0	568	0	0	0	0	0	0	983	0	0	1126	637	0	0	1034	0	547	622	628	0	675	0	0	0	983	0	0	0	Organosulfur	0.15	0.85	0.05
28	C20 H17 O3 N1 S1	352.1002	352.09998	0.52890044	352.10037	0	0	0	0	14629	0	0	0	0	0	0	0	0	1962	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46010	5523	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15	0.85	0.05
22	C16 H17 O8 N1	352.1027	352.10312	0.07659566	352.10272	9849	6030	6906	7671	11391	12052	3035	6742	11556	14331	6011	5868	16079	6162	6372	7477	5375	14906	9026	1840	10548	15772	10661	8690	3747	0	4036	6057	5362	4663	7647	0	6771	5587	13145	3099	9063	5004	4112	9846	11893	4619	2698	0	1599	9494	10598	0	6615	5624	5333	8665	9003	1280	16001	7788	7317	6428	3392	3873	4287	7086	17551	8187	5542	10927	7919	4266	5008	4502	2994	4755	4206	2326	3102	4932	1763	8484	11010	8637	4795	5235	3202	4223	15234	6423	7558	7026	8863	6771	6741	5003	9483	14120	23703	0	7788	5020	6436	8284	9606	6082	5582	5974	5397	8552	7145	0	5480	21012	Phytochemical	0.5	1.0625	0.0625
4	C16 H17 O8 N1	352.1027	352.10336	0.07022977	352.10272	13961	14331	12020	12586	15309	8257	3499	7662	22093	17400	23125	9228	29897	6130	6817	11468	12876	21474	19638	15290	25967	23307	11309	9044	2829	4719	4221	6519	5748	4120	7864	6858	11194	5857	26402	7728	9922	6976	15228	13196	26493	11960	0	255	368	11100	19038	303	8510	7722	14306	12009	11752	504	25305	22946	8974	9597	6571	12334	12713	11593	36848	24426	12460	20962	10123	13683	13001	7766	16385	7628	5896	5256	3261	7570	266	5448	8518	5601	7873	6353	3820	4802	23201	8999	8108	13165	12108	17496	3197	7629	16815	16394	13325	572	10945	13528	18273	29897	23293	11654	7201	11838	10601	10814	16597	0	4362	37550	Phytochemical	0.5	1.0625	0.0625
18	C16 H17 O8 N1	352.1027	352.10315	0.08825787	352.10272	78687	64420	57921	71428	81169	67242	36141	46699	79707	133537	67791	35419	145172	36421	50827	61033	38491	132502	104780	58844	91245	126002	62397	76312	38172	27251	28822	46704	47119	33029	42138	37051	78381	40382	130086	34969	89070	45107	40649	88533	98901	54227	4151	1061	1599	55990	71988	1955	50352	40991	77037	63897	62835	1581	136551	68881	47975	57365	42138	29787	64373	71627	140578	93598	41127	100812	63936	35419	59450	50656	55749	41922	32395	21133	37513	32285	1395	40588	70272	83786	51391	43510	28454	40324	81029	59357	64447	54467	56892	52538	51008	68381	106927	88977	114217	1673	78827	69779	59555	62478	67824	57836	35390	41377	41098	62461	59068	1322	42402	133934	Phytochemical	0.5	1.0625	0.0625
20	C16 H17 O8 N1	352.1027	352.10312	0.05067761	352.10272	25427	24136	23645	22100	25061	25530	11435	13951	29592	40688	20224	18152	53940	13331	16633	20311	15172	46246	40360	20719	38454	46411	26670	21861	13521	7629	8630	12873	14288	11623	14994	13702	26059	12718	34499	9984	36836	13603	16288	28404	33942	17499	2363	1243	1595	17460	25582	1964	16887	16667	21680	28507	23269	1491	44533	25248	16487	19649	13211	10115	25372	24597	45623	37072	14428	34506	22384	13695	15279	16799	21057	17012	15203	8815	9218	14093	1588	14318	21871	32382	18594	15840	8186	10827	29745	19395	21836	23134	25912	14829	22375	19547	29111	40407	38253	1645	22400	29804	21414	27506	26688	23715	12077	16515	14524	24285	18013	2627	13585	57091	Phytochemical	0.5	1.0625	0.0625
14	C15 H17 O7 N3	352.11392	352.11435	-0.13016635	352.1139	6346	9652	8000	5836	5816	3676	4282	7893	10570	5857	3666	5807	9745	2282	7158	5494	7399	8506	9273	3684	3699	11278	10378	5552	6704	0	4377	0	3947	6327	4728	0	7152	6070	9107	3735	7856	5457	11276	7518	7114	4776	0	0	0	6070	0	0	6506	4681	6029	8217	7554	0	9744	4538	5019	7041	5634	0	0	5466	12771	7563	5669	5392	7227	12098	0	3447	3533	4268	4268	2714	5574	4495	0	6432	8592	0	8854	2670	3460	1991	8180	5738	10191	8333	6479	20743	5090	9669	14271	4469	3770	0	5765	5665	3273	3316	3327	6523	4383	5790	0	12213	5852	0	6905	9479	Peptide	0.46666667	1.1333333	0.2
10	C15 H17 O7 N3	352.11392	352.11444	0.01080439	352.11392	28699	26882	25690	26306	21586	15813	19753	29060	27001	23820	19765	23589	24658	7672	24387	31484	29393	29965	33232	19409	27272	46921	28937	35001	16499	2562	17586	8617	20800	18567	18543	23111	30965	23682	30008	19886	28020	20653	36955	31820	34917	19371	558	0	0	23618	26229	0	23650	23403	29098	28161	22448	0	0	15458	16157	31785	29094	30426	26958	22398	36491	29763	19654	26255	21212	36783	8430	7908	9785	23717	20473	14863	20831	18507	0	18688	30018	15802	22665	17323	14329	9252	19693	14088	27880	24203	23035	55586	16452	43957	65978	22795	23505	0	30428	26921	14120	14484	14600	32067	20197	28052	14315	40676	14118	0	21955	42718	Peptide	0.46666667	1.1333333	0.2
12	C15 H17 O7 N3	352.11392	352.1144	-0.015212198	352.11392	18589	14144	16186	15732	10734	12044	12471	12558	14985	10455	5305	10220	16695	3660	16297	15484	19368	20836	20646	8985	14283	21011	16653	13866	12442	0	7726	0	14728	6209	12189	14262	26026	11849	14805	8929	17034	17903	24378	16600	18254	12264	0	0	0	13498	12132	0	11832	13475	13995	14357	14283	0	19772	10390	12218	17489	15983	14783	0	9671	21232	14282	8780	24127	11474	17211	0	6157	11062	11381	10007	7646	10889	9044	0	12549	20602	0	14553	8410	8928	6458	11857	8303	21126	14168	11549	47075	14249	18254	32796	12766	9666	0	18703	13272	10001	10823	6851	15466	12001	9770	0	23613	10183	0	13232	25224	Peptide	0.46666667	1.1333333	0.2
6	C15 H17 O7 N3	352.11392	352.11453	0.08893064	352.11395	39834	37936	34083	36544	26585	19586	19279	41318	32218	33845	32338	31524	39385	11894	30338	43281	40105	42900	48293	36213	49241	59558	39078	42901	16873	15119	18602	13500	26677	30781	35849	31803	39657	30885	42287	27780	40647	25288	50570	30546	57149	27158	0	0	0	34439	49996	0	40735	34336	43672	33632	25893	0	43827	20635	22569	38331	33100	41383	44664	30658	51926	38581	24222	33439	31992	59292	21822	24141	36462	30078	32884	26618	22803	26386	0	23959	29295	15519	24270	17100	16619	11877	32853	22767	28153	38825	32302	76893	11233	36859	73074	36513	32515	0	37505	33852	18407	21298	26967	38498	26882	38921	25608	48358	23151	0	22263	60623	Peptide	0.46666667	1.1333333	0.2
4	C15 H17 O7 N3	352.11392	352.1146	0.05636207	352.11395	13247	14935	15725	11696	11312	7305	5637	12988	14278	10621	12115	10725	17763	4035	9273	15356	22772	15607	15782	7815	16586	23868	13061	15646	4527	1379	6148	3800	8926	9889	11978	11040	15464	9630	15206	11736	15100	11413	28302	13027	19989	9052	0	0	0	11988	21386	0	10769	11416	14139	12376	10881	0	16972	10624	8057	13007	9933	15592	14958	10087	24299	15866	13389	15618	10358	28603	4233	2594	7897	9500	8847	9836	6173	8278	0	8817	12123	6932	11554	6441	5249	4825	19894	8519	10163	14264	11889	27978	6564	9174	28398	12101	11147	0	12799	15196	13915	16634	13486	15142	9984	15477	8668	16103	11315	0	7900	28838	Peptide	0.46666667	1.1333333	0.2
2	C15 H17 O7 N3	352.11392	352.1146	0.003606528	352.11392	12168	11298	11206	12808	13873	0	4275	8011	13262	5488	6450	9521	24590	4921	7568	1276	9474	17542	16209	3752	10797	14984	10041	11052	2656	486	0	8621	10579	5949	10251	9501	17049	9423	8294	8079	12569	6057	10367	5194	10378	10014	0	0	0	4728	6497	0	9578	7088	12629	13246	11018	0	15527	8992	6815	13403	4119	5416	2365	3723	33771	18178	9134	19379	12563	13899	1807	2638	4099	8810	7457	5599	770	6518	0	5824	9045	9996	8173	3437	3303	1855	12733	5765	8218	13730	11370	22965	42063	16018	22264	9553	1579	0	11652	9250	7997	13745	12696	12604	7519	4969	3818	15789	7423	0	7119	36938	Peptide	0.46666667	1.1333333	0.2
8	C15 H17 O7 N3	352.11392	352.11447	0.023472624	352.11392	381971	429795	592057	467138	254636	27565	241514	344522	112222	542417	304669	313867	131804	120063	283104	405018	481194	77974	459460	481145	486290	579887	350634	462409	168779	339061	23486	207078	349717	312212	309579	365224	449566	339956	595792	288029	495993	291925	595965	550519	613653	247303	0	0	0	361485	489027	0	460459	325084	422607	437903	246594	0	83254	91300	208378	420357	68535	383411	422675	369574	150619	127163	48018	393910	289536	593023	236214	557536	601549	328273	319370	273345	301242	39723	0	49416	88582	171795	236624	233797	43835	184590	269429	39661	589335	77832	33247	585731	258857	392311	654190	371330	388672	0	376106	40933	233633	244580	101456	441276	56774	413818	56003	406270	197720	0	280327	177255	Peptide	0.46666667	1.1333333	0.2
14	C20 H17 O5 N1	352.11795	352.11847	0.077284716	352.11798	2311	3269	3172	3139	1830	0	0	0	0	8624	13379	0	0	0	0	2412	2908	0	0	10450	13945	0	2659	0	0	42636	1449	8817	0	0	1289	0	0	2092	9470	0	0	0	3059	7229	9710	2152	0	0	0	5305	8586	0	0	1142	2488	3310	3207	0	0	0	938	1794	0	0	0	3857	2859	1661	0	0	1187	3058	36642	39570	64012	0	0	0	1545	0	0	0	1372	0	1151	3448	0	6037	0	0	1433	0	0	4096	3263	0	0	5161	12429	0	2760	3766	2886	0	1992	0	1164	0	0	0	1337	0	0	0	Phytochemical	0.25	0.85	0.05
12	C20 H17 O5 N1	352.11795	352.11847	0.10627453	352.11798	0	0	0	2045	3000	0	0	0	1240	8927	8220	0	0	1599	0	0	0	0	1756	9758	16501	0	1469	0	1396	28399	0	0	0	0	0	0	0	0	8968	0	1558	0	1894	7560	10781	2154	0	0	0	4644	7629	0	1417	1342	0	3475	962	0	0	1510	1180	2025	0	0	0	2710	0	0	942	0	2911	0	23392	36777	45890	0	1197	0	0	0	0	0	1968	0	1521	1334	0	6337	1600	1227	1450	0	1035	0	0	2671	2833	3804	3282	0	1580	0	2237	1133	872	2248	955	0	0	1812	0	0	2028	1819	Phytochemical	0.25	0.85	0.05
20	C20 H17 O5 N1	352.11795	352.1184	0.059068464	352.11798	5225	5542	9778	6847	4786	2704	1765	0	3767	20253	24332	1937	2461	3333	1642	3400	3554	1762	6195	7461	15565	10714	1356	2151	1445	51037	0	21908	3432	0	0	0	3253	1316	16348	0	3237	1734	4201	16614	34186	2859	0	0	0	11156	19269	0	1491	1265	5075	5745	3867	283	1775	2377	2475	5265	2686	6075	2730	9923	1608	2246	1686	4530	3815	3503	55093	44748	74909	0	0	1448	2488	0	0	2707	2479	18592	1650	7587	2528	19959	1658	3178	5121	4744	2679	9569	5654	5213	5913	21011	13878	0	6639	6737	3048	2682	1597	3574	2053	4987	6374	3721	3301	0	2043	2071	Phytochemical	0.25	0.85	0.05
22	C20 H17 O5 N1	352.11795	352.11835	0.052232157	352.11798	1864	6292	3418	2129	2041	1394	0	1923	1243	7705	15662	0	0	0	1550	0	1506	0	0	5278	9449	5822	0	2077	0	23257	0	12472	1674	0	0	0	0	0	3698	0	0	1440	1711	9066	22195	1112	0	0	0	5258	13861	0	0	1513	2904	4281	2112	0	0	0	1188	0	1197	4825	3257	6141	2965	1227	2277	2391	3995	2559	26800	23280	33092	0	0	0	0	0	0	0	3522	12278	1833	4449	0	10042	2086	0	2674	1645	1670	3715	2589	2984	2333	12751	7800	0	2754	1645	1639	2006	2427	0	0	0	2786	0	0	0	1570	2902	Phytochemical	0.25	0.85	0.05
18	C20 H17 O5 N1	352.11795	352.1184	0.09034672	352.11798	4106	8448	5998	4735	4420	2297	1207	1920	2377	14321	27072	1216	0	2579	1438	4462	3632	4155	6369	11795	15110	4603	1660	3970	0	54092	2654	18780	5119	0	1940	0	3870	0	17867	0	0	1745	1819	13488	32729	2949	0	0	0	6994	12450	0	1710	0	4836	8415	2909	0	2044	2593	2347	3519	0	4824	1858	8207	4745	3052	2684	2853	2324	3106	50130	48362	81598	2005	1216	0	1629	0	0	0	2094	15711	1549	8787	2345	15387	2146	2286	3159	3889	3108	8727	5103	5261	4162	16584	12455	0	8365	5150	2901	3448	2390	3345	0	5051	7348	2846	1573	0	3208	0	Phytochemical	0.25	0.85	0.05
16	C20 H17 O5 N1	352.11795	352.1184	0.01864564	352.11795	3594	5186	3634	4456	1364	1772	1228	1798	1354	9690	17288	1374	0	2593	0	2996	2090	2861	3742	12773	10694	4439	0	0	0	53101	1022	10254	2071	0	0	0	2992	1545	12063	0	2213	996	3407	16920	23933	2829	0	0	0	4247	11552	0	0	0	3941	4698	2570	0	1935	1368	1175	1939	2503	4878	0	4831	3751	1398	1449	2250	4130	1835	49928	54139	65056	0	1838	0	0	1885	0	0	1967	11748	2673	6703	1027	12964	2681	1230	4179	1728	2436	0	4001	3779	0	9369	12196	0	2018	4708	1479	2365	2767	2900	0	3466	3955	0	1968	0	3531	3945	Phytochemical	0.25	0.85	0.05
10	C20 H17 O5 N1	352.11795	352.1185	-0.038913354	352.11795	1992	2638	1867	1727	1409	1197	0	0	1226	7093	8830	1037	0	1672	853	0	1014	2275	1125	8175	9665	1282	1281	0	0	23740	0	7778	1504	0	0	0	1521	0	9720	0	1614	0	0	6767	8693	1365	0	0	0	2623	6263	0	0	0	1548	1217	1094	0	1205	1508	696	1307	0	0	0	1542	0	1090	0	1200	0	1722	23095	27392	35961	0	0	0	0	1060	0	0	0	0	898	974	0	3795	1176	963	0	1422	0	3680	0	0	1760	3316	5597	0	3428	1641	0	0	1670	1624	0	0	0	0	950	0	1276	1201	Phytochemical	0.25	0.85	0.05
6	C13 H21 O10 N1	352.1238	352.12448	0.08554084	352.12384	46350	50840	43125	0	34691	25966	25614	45010	5113	64260	37956	2249	55902	13298	32918	47960	0	7165	11744	54122	77426	68972	38668	2020	15983	14250	21100	21370	42311	3068	42698	42505	6347	5848	64952	37711	52783	29824	0	46640	74532	31095	0	0	0	0	64870	0	47038	41978	49076	44916	35363	0	8040	7278	0	7666	31346	1534	45509	39630	8492	32646	0	44867	36714	66116	25054	31338	51854	43497	5640	35802	27486	3520	0	0	33810	24512	26798	0	22368	19936	10116	4790	0	45247	41313	76113	32536	45106	73821	42474	55160	0	46110	46215	23646	5854	9342	6050	0	50716	0	6729	5252	0	27146	66769	A-Sugar	0.7692308	1.6153846	0.07692308
8	C13 H21 O10 N1	352.1238	352.12445	0.11859287	352.12387	113137	110619	185364	125639	77092	2742	67437	100881	9320	134661	89454	84129	18108	36754	74219	107756	133122	11858	136769	123942	145491	155142	92459	127753	45417	82350	0	45240	95661	84756	91386	98058	121556	93188	144156	86480	139931	78334	166880	150960	179493	62753	0	0	0	109887	142707	0	126481	86589	107912	112865	73861	0	12112	12034	52834	115311	0	101733	110019	110085	12547	11371	0	106930	77603	164330	61635	143700	132966	99183	88731	73365	80776	4930	0	0	2810	50988	69268	68386	880	53730	74196	0	171787	4723	0	153962	73392	115485	176809	95700	114579	0	109704	0	56872	65709	12373	120057	0	112254	0	108938	59664	0	77810	17429	A-Sugar	0.7692308	1.6153846	0.07692308
14	C13 H21 O10 N1	352.1238	352.12445	0.30506328	352.12393	0	0	0	0	0	0	0	0	4577	0	0	0	8260	0	2034	0	0	5977	0	0	0	0	1653	0	0	0	1131	0	0	0	0	0	0	0	0	2291	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1302	0	12226	3338	1648	0	0	0	0	0	8253	4133	1783	4267	1826	1245	0	0	0	0	0	0	0	0	0	0	0	0	1065	0	0	0	4763	0	0	0	0	0	30900	16836	0	0	0	0	0	0	2204	2801	3097	0	1220	0	0	0	3363	0	0	9790	A-Sugar	0.7692308	1.6153846	0.07692308
4	C17 H21 O7 N1	352.13907	352.13974	0.08014344	352.1391	50670	59030	102610	96340	44064	32625	21702	93826	110068	93033	60752	63890	194028	25826	63746	88716	106532	116140	127898	85319	222024	93445	82522	47525	20387	31908	23449	31447	32454	68560	70686	35801	97390	30297	126158	35775	90046	64154	68478	66745	104868	35863	1414	852	1090	65219	145118	879	36014	39255	105564	91400	36640	998	140144	48489	27280	82378	82572	124350	90976	50469	167752	127508	22031	123442	70962	54232	60670	45650	65969	73082	64430	35159	21946	61146	807	27583	65124	41428	65682	111478	60340	58684	111936	57958	29674	32360	78054	102364	42903	52393	62375	60173	70530	2028	95468	113446	39700	122870	117132	93210	59090	63294	51626	37884	39982	1071	22341	89051	Phytochemical	0.4117647	1.2352941	0.05882353
2	C17 H21 O7 N1	352.13907	352.13977	0.0643965	352.1391	29368	25632	22328	27217	25161	24272	17417	28080	65084	37337	36314	22560	50284	14808	20378	11986	59062	37983	37128	28400	117124	46223	24135	20084	8178	10515	8082	19704	29620	16496	26034	22035	39939	23709	57918	22528	27451	17393	32684	29337	43461	27473	762	870	1072	16202	52766	739	25004	19123	27696	29149	27593	719	78572	23553	15758	25642	15421	55042	13839	18111	99458	77250	13779	41777	26641	76590	19105	24228	33381	24460	25239	18368	8603	22404	763	17987	23948	18948	18564	14715	13671	11407	26289	15339	21909	28305	23522	33971	15121	22624	38467	34399	17524	1284	28609	27340	20443	32662	29046	25210	20589	46940	15597	30749	21090	575	14972	98744	Phytochemical	0.4117647	1.2352941	0.05882353
8	C17 H21 O7 N1	352.13907	352.1397	0.068866976	352.1391	679112	359502	569260	360989	173840	159223	218370	341129	217973	1147190	300776	218436	278866	95244	431240	372575	475618	286107	700700	1174920	1265986	988294	248939	346402	319752	261222	247003	220363	699788	582852	301760	774476	447886	659460	1596614	643654	865708	206274	283295	971196	1060482	203857	4291	918	1460	364419	772628	1038	393687	592710	327288	353154	210485	1810	605970	145928	263410	602416	531802	536482	335999	321967	304968	501650	116146	275945	219946	559426	312680	400369	484765	618404	588282	295045	446994	655188	833	223903	220870	186410	200349	450726	231757	252319	172075	130557	205455	211011	490718	309023	246808	323720	830198	301339	821622	2191	665666	677382	140550	172337	164688	829862	390580	766092	158943	582818	153763	990	177255	714602	Phytochemical	0.4117647	1.2352941	0.05882353
12	C14 H25 O7 N1 S1	352.14246	352.14285	-0.3654549	352.14233	5078	4490	0	4061	1692	2107	0	7040	1266	0	0	5243	2947	0	3072	4863	6212	2273	4089	3454	1411	0	5806	3593	3933	0	0	0	4879	10145	5110	5073	30408	7743	4009	4934	17979	3733	6311	0	0	1289	0	0	0	3602	0	0	3495	4954	0	3611	2321	0	3101	1026	0	7147	0	0	0	0	0	0	0	4547	4255	5689	0	0	0	10179	6486	10086	6759	5974	0	2224	13923	0	19444	1930	1660	0	1977	2491	25102	2865	3804	12260	0	3649	10864	0	2668	0	4922	3243	2505	0	0	18311	3425	0	0	7621	0	0	5531	0	Organosulfur	0.5	1.7857143	0.071428575
6	C16 H21 O6 N3	352.1503	352.1509	0.006552769	352.1503	114150	123630	112831	115150	37289	41462	71889	131510	48959	101631	63724	80716	45341	16733	100834	140462	104264	70678	82955	103648	117281	155067	96687	146143	62506	16136	64847	186421	108633	100554	119979	118301	139961	105813	122340	114389	125620	87528	145561	106635	127404	50749	0	0	0	117496	128031	0	134842	114802	119264	126282	49156	0	63073	24340	41249	124313	105132	114779	128331	78345	54882	46541	35928	56358	61326	151392	28738	53252	54175	114432	104341	113933	60342	93988	0	75659	79911	565136	67719	69642	80547	55570	37846	47810	87498	68495	68923	164934	691272	295009	193987	164425	120755	0	113610	111428	26099	24055	26109	128962	78518	148312	73454	121464	34389	0	79100	64960	Peptide	0.375	1.3125	0.1875
2	C16 H21 O6 N3	352.1503	352.15097	0.036275078	352.15033	45422	43246	35449	36449	25704	33070	30204	47155	28444	22156	28530	38195	38373	14728	33225	15110	65503	42462	41288	23433	44663	56628	39871	39483	16812	5883	7329	56008	48760	25522	45014	39727	73675	42397	40980	38008	51473	31319	77123	34936	46304	33886	279	0	0	23450	35073	0	44423	29549	39935	36473	30536	0	37806	16733	19040	45167	21824	34992	18610	19125	41798	35264	21391	40838	37158	82579	11496	15973	21633	42557	38458	31208	8669	36211	0	30457	39699	291878	29541	18033	20277	13206	21728	20125	43909	42836	35068	93590	98105	77563	83812	63059	9353	0	43216	38940	19070	20034	18322	38674	32826	31612	20422	55766	19458	0	31969	45242	Peptide	0.375	1.3125	0.1875
4	C16 H21 O6 N3	352.1503	352.15094	0.013275996	352.15033	58578	61748	53275	51049	22267	22515	25374	52610	30114	43116	38397	36713	31902	14044	40713	58247	65241	35732	43287	50693	48096	77190	46474	57313	27831	9948	30843	58701	40028	38440	43280	41910	59676	38798	55468	46261	53161	38583	90185	49099	66707	27982	0	0	0	48002	66308	0	54253	51630	54798	48429	26143	0	42985	17997	21930	48604	47201	53868	54337	39425	36373	26673	24999	34893	26507	82550	16509	18495	25841	44683	38427	43490	28938	36691	0	32596	39605	578260	36863	30581	35121	23921	29343	0	38628	35271	30420	77779	452990	180678	91855	99338	52720	0	46901	56807	23153	21598	21435	57844	35345	65691	34019	48299	20673	0	31024	37897	Peptide	0.375	1.3125	0.1875
0	C13 H25 O6 N3 S1	352.1537	352.1543	-0.13950257	352.15363	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1776	0	0	0	0	0	0	0	417	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	85967	0	0	0	0	0	0	0	0	0	0	17078	4069	0	5171	0	0	0	0	0	905	0	0	0	0	0	0	0	0	0	0	Peptide	0.46153846	1.9230769	0.23076923
10	C21 H21 O4 N1	352.15433	352.1548	-0.13319513	352.1543	2592	1947	1824	1616	1356	1112	983	0	867	6385	8516	1219	0	1631	1067	1908	1586	0	0	11159	9675	1701	1636	1472	1091	27167	1040	10838	1509	0	1081	0	1928	2168	7756	1732	1193	1079	0	4468	2494	1542	0	0	0	4429	6537	0	2073	2450	2147	0	1579	0	0	635	0	3312	0	0	0	0	0	1047	879	0	0	1423	19738	23222	29160	1544	1080	0	0	1163	0	0	0	0	0	589	0	6844	1124	0	0	1517	1479	5075	0	0	0	2863	6196	0	2704	1105	0	0	0	2453	0	0	0	1534	0	0	1884	0	Phytochemical	0.1904762	1.0	0.04761905
22	C21 H21 O4 N1	352.15433	352.15475	0.057034988	352.15436	3428	3696	2615	2636	0	2037	1463	0	0	7522	18478	2206	0	0	0	5332	3442	0	2014	4781	10733	5107	0	3749	0	35879	1588	19523	1691	2168	2178	0	2865	3233	6564	2620	0	0	2001	9054	25386	2351	0	0	0	3990	8943	0	2404	2916	4948	3069	3540	246	0	1282	2364	1817	2291	6209	4225	8620	0	0	1805	3250	2954	3279	36881	21010	36279	2050	1719	1091	1516	2727	0	1380	0	8511	0	5827	2649	11503	1425	1377	3309	3645	1369	8528	3309	3983	4396	7823	8103	0	2613	3632	2813	0	0	3148	1449	4322	5052	4708	2110	0	3649	0	Phytochemical	0.1904762	1.0	0.04761905
20	C21 H21 O4 N1	352.15433	352.1548	0.090712905	352.15436	5861	4159	7285	3842	2262	2192	2025	0	1732	9613	17411	925	0	3147	0	4537	3735	1689	3998	14362	9316	7945	0	4577	0	54214	2585	23106	1518	1889	2659	1869	1947	2090	7360	1992	2191	0	4603	18789	27418	3756	0	0	0	7292	10482	0	4218	1738	6548	6209	1666	0	1823	1674	1791	0	1569	7535	2837	8307	0	0	0	2548	5400	2151	51735	40695	78285	2234	1915	0	1736	0	0	1395	3361	10444	2624	3472	3872	12492	2448	2018	4172	3205	3438	9082	3761	7510	5305	7454	9784	0	5701	3552	2974	1530	1610	4032	0	3078	5077	3599	1680	0	2391	1687	Phytochemical	0.1904762	1.0	0.04761905
4	C14 H25 O9 N1	352.16022	352.16068	-0.106601745	352.16016	4525	5371	3974	4350	50857	12127	0	0	5960	0	0	1408	14250	111034	3808	3851	3806	22863	41090	0	0	2397	2222	3261	1563	0	2957	0	0	0	2774	0	3827	0	1370	2845	5567	3927	4078	0	841	10805	0	0	0	0	0	0	0	0	3995	3690	33624	0	6639	0	12583	2382	0	1489	2570	0	16499	3764	7880	12390	16164	4659	0	0	0	4305	0	2506	0	2774	0	1871	0	0	2284	0	1163	0	47530	10585	2811	5832	7545	5027	0	3492	6464	1198	0	0	0	6972	6983	3801	5458	0	1643	0	0	2470	35941	0	1707	22379	A-Sugar	0.64285713	1.7857143	0.071428575
6	C14 H25 O9 N1	352.16022	352.16074	-0.101887584	352.1602	46521	50157	46619	9860	81656	14313	78076	6447	16754	53043	30289	0	24649	111024	52843	51601	26807	45833	88635	0	46284	48485	3422	50975	4583	13031	62635	34594	0	0	5291	6087	74599	7777	66317	5088	6067	0	0	38526	39699	10444	0	0	0	0	39633	0	50917	5986	8542	8093	40105	0	11064	24842	10383	51426	25031	0	53671	24604	33453	0	0	16955	13033	0	16401	29092	31374	8656	8922	10459	2250	5958	0	31809	3380	19737	2385	0	1633	18918	177621	18914	4232	10033	9239	54422	25383	43281	69993	24095	41734	0	6765	46639	8307	6378	7192	7405	0	0	0	0	29798	0	2521	39548	A-Sugar	0.64285713	1.7857143	0.071428575
12	C18 H25 O6 N1	352.17548	352.17596	-0.022641947	352.17545	237103	244395	283877	238898	139627	120933	221743	358035	135704	333943	199080	189465	151137	72531	214524	303496	316838	204388	249464	512730	531097	351179	242303	328496	209382	402861	165236	167851	313350	267953	254153	288288	342387	272283	457578	289659	276568	187276	344101	359804	374543	155582	4918	1713	1167	334634	315421	1113	309283	287380	242502	246467	149096	1921	191408	109733	103118	316210	210363	286381	269759	237377	173309	138797	81787	166729	156548	327147	369341	469030	459546	273813	277530	295540	257740	261733	1149	207058	203355	164899	204314	214735	237153	214328	145689	120687	204931	131290	160372	328494	278226	325855	370709	205003	289462	2798	265531	294664	117364	102234	125398	301964	184150	333091	175138	268640	126974	1248	221473	175714	Lipid	0.33333334	1.3888888	0.055555556
10	C18 H25 O6 N1	352.17548	352.17596	-0.025021251	352.17545	204837	197131	184922	176860	87876	83130	129079	245165	93714	323605	137446	135699	119836	49777	146165	236781	170758	139305	169959	390067	373010	264117	156973	249094	134245	221794	136579	135630	203639	195613	182344	222393	227354	201416	354487	204851	234897	129582	207098	273473	239201	99062	3887	1416	1508	232405	208587	1412	211506	205339	197938	192688	96067	2159	128068	73068	57398	234256	129758	182065	227682	148440	102315	98629	51599	116236	98294	216342	201625	295732	273605	211339	188494	203203	165483	195343	1169	130380	153412	126511	128674	122320	138704	140774	88757	68917	138234	97432	106466	215166	204873	225840	290757	151771	256963	1792	199530	208246	69514	67866	68970	212724	117731	275865	100380	186122	74720	1274	137873	136040	Lipid	0.33333334	1.3888888	0.055555556
8	C18 H25 O6 N1	352.17548	352.17603	-0.035627134	352.17545	158641	308826	132512	155042	74214	71792	86370	355058	76542	288957	117845	103648	101387	39487	202102	173893	124094	86154	127905	647952	638740	438280	104435	366674	94154	130142	94811	108468	304958	306674	147527	179550	170009	296420	388032	153908	370202	183662	308116	228944	400970	71508	1497	921	1113	188426	175780	708	375644	299342	149545	159020	68857	728	102694	51187	46606	168341	75482	109959	160679	120211	101063	78049	43308	91025	78558	153796	131328	238328	230138	326734	308760	162334	108122	327324	716	203530	110984	95637	93688	87790	198560	117839	57305	46701	104404	69784	84217	351524	142630	175689	208087	119169	392604	946	162068	151092	50106	55018	60177	165470	89890	216240	60225	135191	53728	803	189650	117285	Lipid	0.33333334	1.3888888	0.055555556
20	C18 H25 O6 N1	352.17548	352.1759	0.061627112	352.17548	206951	205847	209298	183207	185413	150441	119005	219510	142981	296630	192720	138802	230861	123217	169424	239338	183161	217493	249268	400359	392690	214628	173048	252631	145557	386204	115599	174117	208319	190028	169582	184940	228655	218187	272277	188377	213923	115858	162007	270982	281908	153073	7933	3276	2622	198583	206553	3196	198354	187686	201035	206234	155119	3767	181973	169414	101670	208220	150520	150975	226013	183115	172717	150081	79794	205001	137973	179122	331551	383351	418628	207815	208073	186345	189828	168565	2168	131647	157786	149665	131527	119908	124523	192939	180005	101921	159724	162835	146720	181691	221316	219113	277324	167262	220157	4272	190867	227568	129498	150547	171686	247666	120590	249976	139570	182121	144161	3739	139420	185424	Lipid	0.33333334	1.3888888	0.055555556
6	C18 H25 O6 N1	352.17548	352.17606	-0.003549383	352.17548	288070	298028	289654	291246	59150	69244	182548	378590	69890	321827	112697	183852	101623	36299	107889	333244	109122	95856	130207	634190	624762	427008	214096	342846	194642	123646	168780	98459	327720	283398	335786	381730	411298	311412	792312	317618	392888	189002	277712	191642	357082	65984	1148	543	965	178240	165745	467	414958	308608	325254	300630	69246	1121	99134	44881	39596	174845	68895	177392	311078	110707	88161	68592	33480	87646	170776	300648	114165	267635	231489	330066	301426	327230	91026	290934	495	185422	166400	150544	160738	142680	160210	106036	50795	49846	179914	65028	167738	270048	163801	346712	386540	120545	197538	1016	301314	276096	38005	47579	54992	349240	87775	211284	76013	284824	41011	494	161772	102339	Lipid	0.33333334	1.3888888	0.055555556
2	C18 H25 O6 N1	352.17548	352.17612	0.007159789	352.17548	60235	60591	54088	55881	19346	34943	46089	184574	21099	124238	37288	108628	30544	13271	115268	118042	140998	32435	40133	78077	100491	152044	94480	63708	33993	29963	34823	36266	169182	61943	157656	74812	182984	73196	175796	161174	76631	99954	163128	134942	80715	28303	1015	467	957	49621	72933	519	79002	71716	54833	61143	26416	790	31382	14999	16313	74041	69266	87950	56496	81672	24633	26120	13339	27540	32814	187266	37783	105304	65107	76232	82269	83327	84558	69880	627	100616	98446	85150	94754	35787	38593	31183	19603	18289	77268	30266	36047	75641	110314	133354	178258	102354	56624	1244	56152	67627	16164	15649	17172	65366	106048	93887	81974	83498	15466	564	73340	30180	Lipid	0.33333334	1.3888888	0.055555556
4	C18 H25 O6 N1	352.17548	352.1761	0.02072979	352.17548	196518	220416	103729	204048	40702	45045	118608	261388	43085	167055	71600	71574	66661	29068	170968	217244	186826	120502	151826	187697	196915	337586	150958	212266	127004	78031	60068	58747	113901	191528	223010	117299	256356	100961	238308	127026	243448	134814	214804	153566	144831	45497	1291	877	563	161798	130876	602	124332	114503	195956	168246	45728	891	128440	29975	26769	191238	57147	71683	205622	97808	54322	97310	23255	57434	91602	98413	87475	130852	129021	101788	204860	135614	70409	192516	696	154286	132296	63098	134908	84431	76743	150466	46011	34781	118844	41345	56937	155792	250504	253266	269358	84213	152808	1517	92841	227474	34322	36640	37303	229962	68174	187765	115060	85955	30211	846	114614	62031	Lipid	0.33333334	1.3888888	0.055555556
22	C18 H25 O6 N1	352.17548	352.1759	0.06642396	352.17548	73690	78868	70326	75626	94450	68952	41767	78438	76779	142928	82471	42749	115652	75023	52759	73514	59160	117517	104867	174232	170166	80123	63048	82055	47261	107605	28309	75011	70356	71981	57456	71093	82284	80932	165231	63708	78203	43305	56451	111675	89615	55767	4676	0	3392	67450	72585	0	67519	60242	74912	85385	76196	3353	93480	81799	41879	74129	53005	46933	77956	92258	84934	79626	39076	102854	75015	53699	112456	148912	151702	74875	64896	62226	54118	56550	3109	47329	55656	50632	44715	47906	39801	68350	74715	52207	50044	62186	62148	58720	73777	91374	79195	73413	106736	3460	73588	79290	62763	61675	73571	87233	46512	83419	51033	65016	70402	3806	44494	102727	Lipid	0.33333334	1.3888888	0.055555556
14	C17 H25 O5 N3	352.1867	352.18707	-0.18207201	352.18665	7191	9537	9049	9611	3970	2046	7992	12286	2690	3815	2036	5107	3282	1484	7106	12323	9106	3326	7944	6312	4103	10771	7809	14482	12824	2622	8709	7652	12896	13752	8346	13995	15453	10424	3666	13845	12767	8040	17059	8289	7362	2929	0	0	0	7811	8710	0	15008	12095	7669	6658	7479	0	2750	0	3149	11977	5886	6647	0	4109	3177	2599	3815	5191	6410	12142	0	3524	3809	8019	10135	12198	9300	11245	0	8402	10746	0	9516	6969	8656	4683	3829	3382	9937	6685	5305	24465	20321	20527	30598	3764	5369	0	7257	7102	2105	1607	1585	10340	8061	10682	0	12947	2461	0	6887	5085	Peptide	0.29411766	1.4705882	0.1764706
2	C17 H25 O5 N3	352.1867	352.18735	-0.07474631	352.18668	31769	25792	26257	28471	9644	19521	23146	34775	11003	17469	22252	23825	9909	5857	32234	19465	30966	17607	20335	23132	26440	32152	27446	27807	20449	4180	8486	133200	34756	21175	33601	29220	41679	26281	25713	29101	33580	23970	38074	26910	25524	17234	0	0	0	17287	17899	0	30240	24685	28210	28766	14188	0	16028	4167	8381	31307	18287	13697	20285	14690	10657	13362	8280	17337	18351	38830	6860	11762	10737	27877	29187	29186	12155	23170	0	20630	27432	787385	23143	13196	19478	13427	5908	11703	27509	19397	18278	55700	270583	156537	64032	89722	14201	0	33392	27971	8458	4180	4870	26257	22689	30547	13475	33895	6793	0	24876	12993	Peptide	0.29411766	1.4705882	0.1764706
12	C17 H25 O5 N3	352.1867	352.18713	-0.11683937	352.18665	14350	11387	13207	12414	3666	4823	12821	25165	4196	9554	2286	13831	4374	3430	14057	19207	23936	6396	12122	16273	11659	24183	18131	19463	23354	4108	10871	8583	20718	15757	19532	17838	29449	22702	13359	20362	25757	14270	22549	21342	15825	9533	0	0	0	14483	12294	0	22430	19875	10374	12615	7168	0	6007	2401	5254	22482	12834	7658	0	5621	2849	4964	4333	6080	7329	22618	0	9289	6514	22284	16816	18337	12769	17459	0	13330	15015	0	13311	12238	12422	10411	5583	6316	18991	9252	10289	38127	33437	26980	35074	12428	10081	0	14563	12878	5810	4838	2323	21052	12221	17605	0	23551	4780	0	18569	9855	Peptide	0.29411766	1.4705882	0.1764706
10	C17 H25 O5 N3	352.1867	352.18716	-0.097799875	352.18668	29922	22768	25892	25293	13590	11936	22182	32426	7594	19759	12041	19998	10380	11411	21240	31180	22667	11962	21344	29784	29136	38694	20835	43434	26389	7722	19146	13666	29443	27934	27167	32351	35621	31904	29247	31491	35532	20733	24829	34265	21391	10540	0	0	0	31219	22465	0	32273	28721	30635	29068	12915	0	9699	5322	7505	39824	17011	19978	28554	17071	9309	7037	5657	12882	10603	32403	0	16308	14290	33082	27382	31226	24909	23767	0	19989	22399	48823	19026	14571	18980	15441	7301	9375	24893	13244	16306	47619	131226	51314	65611	22331	31554	0	21298	25067	3997	2965	5502	30242	16046	30255	0	28107	6272	0	21617	10873	Peptide	0.29411766	1.4705882	0.1764706
6	C15 H29 O8 N1	352.1966	352.19727	0.14977504	352.19666	0	0	0	0	1525	1494	0	0	1326	0	0	0	1679	1092	0	0	0	7535	6825	0	0	0	0	973	0	651	0	0	0	724	882	0	747	670	0	0	1342	582	0	0	0	0	0	0	0	0	0	0	0	0	1543	1603	0	0	846	0	0	0	0	0	0	0	9695	0	0	1785	918	0	0	0	0	0	0	0	0	0	0	0	822	0	807	528	462	0	27607	0	789	0	0	0	0	1525	1517	1325	0	0	0	0	0	1396	0	0	0	0	0	675	0	0	667	22263	Lipid	0.53333336	1.9333333	0.06666667
10	C15 H29 O8 N1	352.1966	352.19714	-0.37204692	352.19647	6176	0	0	0	0	3352	0	5643	2088	9390	0	2093	2031	0	2299	6721	0	0	0	0	0	5582	0	0	0	0	0	0	0	0	3978	6091	7526	2499	0	0	0	0	5025	0	0	1004	0	0	0	0	2267	0	4339	0	0	0	0	0	0	0	0	0	2786	0	0	1669	0	861	0	0	3048	0	0	0	1451	0	0	0	0	3848	0	0	1158	0	0	640	0	0	1291	805	2034	0	0	9140	9608	7206	1908	4910	5139	0	0	0	0	0	0	4933	2662	0	20279	5188	0	0	5744	1149	Lipid	0.53333336	1.9333333	0.06666667
2	C15 H29 O8 N1	352.1966	352.1973	0.051111374	352.19662	38029	34697	28894	31188	140674	80445	37679	22923	12084	2894	3196	28497	48792	202115	9384	9093	30609	41105	26597	2302	2733	5769	7481	11882	6690	0	48392	8879	23754	23707	23990	22932	180070	47631	2994	24370	133494	8134	33448	1183	1189	75890	657	0	0	2575	1081	0	20484	21927	32436	34863	216845	0	6234	16836	41276	9577	0	0	8899	594	4633	6125	87912	179979	128449	52303	0	719	1514	44154	24726	34117	24593	26826	0	23662	3570	10475	4579	0	728	755	5410	46254	2831	127955	50851	6101	62887	11460	9547	0	1833	0	32204	30854	7764	5151	8068	236710	21128	0	0	15708	39865	0	6378	20075	Lipid	0.53333336	1.9333333	0.06666667
8	C21 H30 N1 S1 Na1	352.20694	352.2074	0.10237174	352.20697	0	0	925	0	0	677	0	0	0	0	1180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1017	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35213	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.4285715	0.04761905
6	C21 H30 N1 S1 Na1	352.20694	352.20715	-0.37345222	352.20682	0	0	0	0	0	0	0	0	0	0	1047	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7773	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6132	0	0	0	0	0	0	0	0	0	0	21272	2562	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.4285715	0.04761905
10	C19 H29 O5 N1	352.21185	352.21234	-0.05493422	352.21182	99070	92094	92962	80434	30424	39576	59530	124288	27270	123080	46498	63008	35950	28518	67234	139484	84062	49050	63696	158218	134588	120768	63360	115012	80756	86372	72082	67194	115138	112824	103828	129194	144040	97884	146564	108386	139304	60486	113374	117132	73924	41978	1642	0	890	89858	68968	0	139152	105410	102226	98902	37824	0	30860	20464	19662	134946	4548	32022	121424	48250	36020	22752	18820	40412	48164	116370	59734	157756	123354	116748	110570	103050	86346	106594	0	70250	73524	64054	60350	22976	22016	55590	26512	20422	88044	41946	52858	149090	182088	84626	170216	129016	119386	0	101280	93732	17530	24854	24928	130168	60134	113448	0	117182	20708	0	73836	40384	Lipid	0.2631579	1.5263158	0.05263158
24	C19 H29 O5 N1	352.21185	352.21225	0.042305812	352.21185	72382	70014	71266	77953	151069	65098	36392	99962	59947	81117	53732	58724	112966	46027	60503	92612	84424	94109	108537	108549	112844	62310	58126	113681	51645	88159	30600	51869	89373	95754	75818	83771	94496	85369	70587	105176	102732	41890	88967	85737	94918	47880	3334	0	0	76773	74459	0	89113	88985	84063	71873	61328	0	90674	75388	35250	85854	56867	71645	92933	55871	87828	55095	30015	90081	62853	82925	78895	100911	109206	94719	98294	107953	72658	95993	0	62770	61806	50920	59384	42472	50899	52870	60957	38339	62467	57113	63799	75517	97399	94629	97120	52242	84000	0	74236	79199	51115	70266	92598	116742	51952	111266	47252	78288	60755	0	58274	66774	Lipid	0.2631579	1.5263158	0.05263158
8	C19 H29 O5 N1	352.21185	352.21237	-0.055948924	352.21182	77216	79007	74860	82182	20424	29362	56387	105044	17963	94047	41117	58054	22633	13591	55497	126840	92187	27291	42011	115830	97685	93270	58080	100152	61103	39828	57015	41696	95525	86693	88292	136145	100430	101929	116465	103590	112876	50888	116417	86009	41886	27835	479	0	0	69969	47685	0	126269	82127	76152	85313	30067	281	21725	11098	20080	125721	4894	13836	119738	36956	23410	19045	21121	30624	30575	119312	35329	89980	73407	92475	90929	90013	95205	87052	0	59127	68559	48191	48967	13158	17794	46493	10873	14730	77225	36641	35550	133428	99720	69703	151911	52098	87426	456	79210	75156	14205	11606	14142	106539	52062	86705	25581	104054	11926	0	65246	23776	Lipid	0.2631579	1.5263158	0.05263158
2	C19 H29 O5 N1	352.21185	352.21246	-0.08268056	352.21182	24086	24413	24588	22905	2571	0	23274	53090	2957	19220	10993	23706	1621	2159	26545	38291	31247	5632	8113	28090	26560	31669	20161	34061	24338	9063	20466	11152	40907	40063	37462	38291	40389	33182	25939	46960	33072	22554	32704	25547	22286	8233	230	0	0	19716	25188	0	43129	43619	24521	24719	5280	0	4371	1472	4735	35363	7171	8331	32515	13586	3153	3296	4177	4763	9228	33892	9301	12820	14520	39603	39776	51176	28866	38549	0	25050	17770	17841	18714	11235	14735	16656	2447	4986	18856	7934	10356	52147	36346	32332	54042	19559	31131	0	24867	27803	1903	1573	1531	30605	17185	50348	12254	31633	1937	0	22241	3100	Lipid	0.2631579	1.5263158	0.05263158
16	C19 H29 O5 N1	352.21185	352.2123	-0.023160258	352.21185	103274	109825	102656	103842	73269	57220	95723	163847	49359	82031	65597	105175	54798	40399	106247	188839	207836	79640	91965	132584	131615	98299	111446	170940	109233	152156	88764	64011	116364	129324	111074	115496	123829	111175	81777	150983	114633	82068	190968	84188	120269	83405	1648	397	318	84692	120081	0	140647	136902	109269	102104	76583	1116	61449	54161	45795	157619	50670	111487	156087	47493	49466	42535	42537	65681	75468	182839	122007	126015	166369	118341	116922	136774	180941	124884	454	80296	142969	107629	97426	63640	75571	56808	68583	59997	145995	72238	73554	195552	123725	99352	163864	60092	112804	0	104715	113512	43405	56574	80809	143314	87300	119447	56169	120501	67259	687	125103	54863	Lipid	0.2631579	1.5263158	0.05263158
26	C19 H29 O5 N1	352.21185	352.21225	0.055034563	352.21188	10746	8365	7302	8085	11687	7079	2404	6074	7128	12508	7904	4755	14012	8093	0	9604	0	8184	13443	12650	14512	7650	0	8483	0	14493	2483	7887	5031	0	4259	4453	7744	5736	10589	6751	8327	5564	7580	9784	14797	0	0	0	0	8095	11293	0	6228	6052	6819	8495	9970	0	7055	12077	5487	9742	3666	4574	8532	5418	9819	7196	3527	9747	8840	10993	12466	12955	28421	4820	4188	0	0	7778	0	4008	6247	5835	5501	5374	4732	10351	9269	0	15034	6565	5058	10555	14624	7918	8219	6302	6817	0	8624	8261	7152	11086	14211	7812	3946	6263	6137	6342	7442	0	5027	10440	Lipid	0.2631579	1.5263158	0.05263158
0	C16 H33 O7 N1	352.23297	352.23364	-0.043265652	352.23297	0	0	0	0	0	0	0	0	0	2240	4216	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15979	0	0	0	0	0	0	2280	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24055	0	0	0	0	0	0	0	0	0	0	9058	2517	0	4450	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.4375	2.0625	0.0625
2	C16 H33 O7 N1	352.23297	352.23358	0.017014368	352.23297	0	979	970	638	4055	0	673	0	518	1803	1588	0	446	10531	443	0	0	1102	0	0	0	0	0	0	345	0	0	5141	0	0	0	494	0	0	499	567	0	0	0	0	0	12015	0	0	0	0	0	0	0	0	898	603	8957	0	612	261	9344	0	668	0	0	0	0	463	0	3754	28890	0	0	0	0	0	0	0	0	0	0	1570	0	8606	0	0	0	0	0	1716	0	0	0	0	4733	0	0	662	4929	0	678	0	523	0	0	0	960	0	645	0	0	0	0	0	Lipid	0.4375	2.0625	0.0625
18	C16 H33 O7 N1	352.23297	352.23343	-0.021207388	352.23297	0	0	0	0	0	0	0	0	0	0	0	0	0	1162	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3256	0	0	0	0	0	0	0	19691	22826	2250	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5481	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1320	0	0	0	0	0	Lipid	0.4375	2.0625	0.0625
24	C20 H33 O4 N1	352.24823	352.2486	-0.008037444	352.24823	51977	50770	49174	52489	48830	33406	34064	64537	36888	36710	35924	35978	35049	33646	50576	89067	80240	44380	68013	60876	63525	49539	30256	60792	54350	58301	36124	61739	53593	59451	43104	59323	53126	51928	38076	67243	53417	45752	76217	37965	56107	36054	2812	0	0	36945	55943	0	57681	52071	49190	49642	40411	0	86916	43325	26316	79122	27991	43761	77061	28169	37661	38312	28528	55356	50712	75484	51563	55153	62299	32835	47121	55135	63774	55615	0	28664	47447	87152	28287	34994	41066	36036	74770	43564	81305	34053	37572	116252	110510	91087	72928	52565	76382	0	57239	62525	93576	58812	84141	78330	27276	57556	36294	58209	59956	0	55712	31545	Lipid	0.2	1.65	0.05
16	C20 H33 O4 N1	352.24823	352.24863	0.015962582	352.24823	1818	3070	3323	3473	0	0	5785	5252	0	2924	1665	2684	0	1014	2988	9364	3012	0	0	3078	0	0	0	5062	7203	1855	10318	3172	7791	9256	4182	8881	8032	5077	1994	4606	6759	2513	5482	4041	1468	3090	0	0	0	1910	3055	0	7430	6310	4845	5357	1664	0	0	0	0	11725	0	0	6877	0	0	0	989	0	3308	7143	2562	2278	3633	5654	4858	5319	3967	5543	0	3590	1770	0	1172	0	0	2559	0	0	7058	2587	3592	24486	15033	2211	0	1893	3084	0	4094	2328	0	0	0	6173	1857	2288	0	0	0	0	3046	0	Lipid	0.2	1.65	0.05
20	C20 H33 O4 N1	352.24823	352.24866	0.02800892	352.24823	14435	9357	13275	12808	8911	7213	9796	17539	3444	5604	10308	9853	5685	7968	5525	25265	25203	6690	6964	13128	10145	9288	8477	15336	12112	14591	10987	6157	14212	15239	7759	9275	14169	12347	4517	16434	10471	4604	25404	7276	14661	9374	928	0	0	8066	11572	0	16185	11594	12411	11520	5569	0	8909	8702	3546	15052	3573	15907	16850	1925	3655	2519	3745	8801	9297	26538	8946	9745	12800	6588	10782	13193	27143	14107	0	7038	16373	14689	6111	2775	6418	0	11424	6984	18819	9628	8480	41674	26630	9609	28474	9227	7536	0	7445	9417	6764	9227	13287	16521	7274	10293	5962	13810	11595	0	14484	6187	Lipid	0.2	1.65	0.05
22	C20 H33 O4 N1	352.24823	352.24863	-0.022582803	352.24823	38897	42472	36559	41622	32233	21595	33302	43605	20715	29658	23248	32159	18474	22837	32295	83699	61829	26179	36489	33346	32143	54928	24967	39679	45692	45049	32916	27563	47472	45876	27624	39857	34303	44049	13488	47216	34215	29744	58159	25386	35231	35446	0	0	0	33432	43443	0	44271	47762	40390	38740	24639	731	36870	30469	20028	78177	18305	38905	72807	13658	28693	33692	15217	32726	36588	66334	37324	43244	47117	36009	35726	38854	62780	43581	0	29624	35673	57099	21657	19378	26855	21385	34608	30590	59449	29051	27876	104381	91762	96272	92954	38521	67478	0	33951	46942	38963	68146	66504	61587	22300	47193	20667	57841	30844	0	49658	21539	Lipid	0.2	1.65	0.05
12	C20 H33 O4 N1	352.24823	352.24872	0.024638921	352.24823	8677	11556	10565	13932	2600	5373	13758	22042	980	5942	3386	9420	0	2783	12247	20610	7169	3021	4024	13829	12216	5738	9103	13259	26378	6481	22808	0	26064	18785	19625	21664	23045	18282	14088	17722	17027	9160	8778	10817	0	6253	0	0	0	6227	3860	0	27973	17248	11794	7475	7139	0	3781	0	2514	22557	0	0	0	0	42320	4541	4127	3617	6753	13444	0	12781	4805	16995	14483	16754	12176	20812	0	13318	7724	0	5596	0	0	5437	0	3873	24956	5685	6901	59443	38790	4348	27774	5108	12080	0	12532	12001	2728	0	0	18492	9547	0	0	14855	0	0	8799	14299	Lipid	0.2	1.65	0.05
26	C20 H33 O4 N1	352.24823	352.2487	0.0639063	352.24826	24753	23041	28118	28022	34123	19773	19632	26577	22248	14435	25819	12126	29953	22345	15292	33672	28554	23040	28574	25062	24693	22746	13354	24240	20397	23198	15572	47184	30111	28178	19594	27467	29392	23664	18986	36260	26075	16344	31069	20577	29355	34960	0	0	0	15933	19532	0	22428	17423	26866	20113	22858	0	34012	28819	14104	32737	14629	22148	31099	13314	16069	22279	10535	35221	36125	33166	19041	20164	21786	16716	27226	25790	21032	25564	0	12337	29077	46916	13310	22352	20439	19444	35694	16918	54938	19482	19387	54264	43472	40201	29001	20825	26629	0	23377	29633	26678	34105	38290	42323	12784	28498	20549	25531	40227	0	26164	13583	Lipid	0.2	1.65	0.05
8	C20 H33 O4 N1	352.24823	352.24875	-0.023278067	352.24823	16563	19508	14361	16637	1679	4374	15752	41941	2001	11668	6728	18122	1231	1189	17927	34745	14209	2819	5064	19134	14269	13234	10821	22318	23567	4230	21389	6067	30826	33114	30390	28183	27048	22771	13529	25962	29958	15863	21615	13180	2541	7102	0	0	0	6913	5923	0	38265	34425	17350	17966	4199	0	1322	0	3778	30542	0	0	24940	3253	0	3365	4493	1661	8054	22228	4545	7299	4485	28750	22902	29224	21262	28617	0	18264	10974	15927	7022	945	0	10408	1212	0	20232	3269	8332	55546	42025	0	51322	13240	22501	0	19942	17612	1070	0	0	23164	14943	19863	0	33421	1830	0	14523	963	Lipid	0.2	1.65	0.05
6	C20 H33 O4 N1	352.24823	352.24878	-0.08022152	352.2482	9021	8449	10674	9043	1062	4784	15129	21560	646	6795	2411	9270	0	405	11132	18762	12555	2077	3865	7394	6631	7942	6378	8907	14053	1693	15296	0	17482	15529	17778	17352	16817	12701	7034	12337	16497	8701	15411	6569	2235	3052	0	0	0	4968	3205	0	21420	20187	8454	7336	2704	0	1325	451	1649	18857	0	0	16272	2521	0	1174	1611	1967	4695	17164	1811	5193	2240	16759	13586	17006	12375	12479	0	8702	6902	6444	5088	501	0	4458	0	1762	13643	2890	4097	35902	22688	4813	26280	5097	11861	0	11393	8573	540	530	0	12855	8702	10816	0	14617	1169	0	10311	999	Lipid	0.2	1.65	0.05
14	C20 H33 O4 N1	352.24823	352.24866	-0.009219432	352.24823	5539	6047	6256	7106	0	1646	22445	9946	0	0	3740	6554	0	1967	6150	19846	5498	0	0	9170	4124	5346	3093	6620	12772	3136	33908	0	10152	9433	10584	6948	11359	8362	5877	8516	6482	7444	2954	5402	0	2669	0	0	0	3889	0	0	6152	4186	4943	6903	2201	0	0	0	2202	23858	0	0	0	0	0	0	1524	0	3782	5332	0	9138	1893	8047	6492	7007	5938	7004	0	9106	4729	0	3220	0	0	2791	0	2462	24389	0	3034	58847	41258	0	30697	3112	7808	0	4913	7141	0	0	0	10736	7876	1981	0	16663	0	0	8201	0	Lipid	0.2	1.65	0.05
10	C20 H33 O4 N1	352.24823	352.24875	0.011694774	352.24823	23444	22603	19489	19995	3242	6505	26329	43858	1730	13070	8625	20052	1066	2913	26526	50526	29148	2872	4684	22987	12683	12207	12393	29016	43519	5952	33523	9153	32368	33302	38497	36114	35870	25249	21124	35107	41167	25301	41574	8667	983	13861	0	0	0	6794	6810	0	42960	33673	23417	21949	6586	0	2084	623	6289	56341	0	0	38792	2259	1279	2348	4171	3568	14446	33216	0	12995	8061	31672	23354	24964	40901	27590	0	17684	17758	9399	7538	833	0	6877	922	4590	43732	7620	9744	59379	47889	6590	52944	7884	19687	0	17120	18833	1292	0	0	28796	20559	17684	0	31765	1514	0	27266	0	Lipid	0.2	1.65	0.05
24	C17 H37 O6 N1	352.26938	352.26987	0.00903381	352.26938	4505	2463	5574	4210	0	0	0	0	0	17577	14034	0	0	0	0	0	0	0	0	0	1897	0	0	0	0	0	0	0	0	0	0	0	0	0	2919	0	0	0	0	6178	0	1136	0	0	0	1288	0	0	0	0	3716	5433	0	0	0	0	0	0	147513	0	0	135415	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3582	0	0	5364	3634	1556	0	0	0	0	0	891342	0	0	0	0	0	Lipid	0.3529412	2.1764705	0.05882353
2	C14 H12 O7 N2 S1	353.0438	353.04465	-0.27192324	353.0437	0	0	0	0	0	77362	0	0	0	0	0	368	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13202	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1848	0	0	710	0	0	0	0	0	5037	0	0	0	0	0	0	0	0	0	0	369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.5	0.85714287	0.14285715
10	C15 H12 O10	353.05032	353.05084	0.073849715	353.05035	9808	10511	9219	9805	39206	11529	983	1332	43246	2502	4605	5905	69638	9077	3554	2689	2172	31565	32428	3057	8611	12355	8540	2792	0	0	1205	0	0	0	1337	1300	4262	0	5753	0	2695	4624	1858	0	5924	10679	0	0	0	2617	2943	0	1065	0	10716	10830	19198	0	34694	43671	12854	1852	0	2401	0	2470	83658	49288	10289	48083	12505	3486	0	0	0	0	0	0	1304	1333	0	2705	7935	0	5462	644	0	0	39503	9365	6795	16113	10655	4607	0	2781	1864	16355	5363	0	12037	10458	29274	67302	51294	3433	3786	0	0	2614	27845	0	0	76499	Phytochemical	0.6666667	0.8	0.0
8	C15 H12 O10	353.05032	353.05087	0.12372577	353.05035	4776	5102	2819	4719	20153	4591	0	0	23095	1180	3725	2397	35290	4013	2038	0	1529	12971	15791	0	3727	6627	3552	1752	0	0	1017	0	0	0	0	0	0	0	2741	0	951	944	1286	0	0	6498	563	0	0	0	2534	0	1038	0	4089	4096	9925	0	17331	23057	7458	1028	0	0	0	0	42415	25264	6972	27497	6135	0	0	0	0	0	0	0	0	0	0	1165	2720	0	2454	1235	0	0	23560	5076	2430	7186	6932	2694	0	0	0	7449	2591	0	5839	5239	19022	40739	32888	1622	1225	0	0	1444	15674	0	636	43486	Phytochemical	0.6666667	0.8	0.0
12	C15 H12 O10	353.05032	353.05084	0.104641095	353.05035	13017	14561	15843	17123	52778	19397	0	1948	53628	3220	6996	7425	78234	14387	7157	4558	3228	50483	52897	2530	6901	10837	14838	0	1267	0	2011	0	1628	3578	0	2026	6226	2017	4589	0	8487	6512	5037	0	3840	19950	386	0	255	3198	4063	460	3502	1829	20923	16830	31070	0	52519	55874	22250	3143	0	0	0	3739	124305	64703	15917	64393	20477	0	0	0	0	1827	1155	0	4547	2770	0	4113	17115	0	9237	1355	0	0	66601	16878	10582	21822	18550	5337	0	4499	6995	24637	8488	0	15849	18760	42554	82270	62531	6600	5580	0	0	8364	34951	0	2894	108150	Phytochemical	0.6666667	0.8	0.0
18	C15 H12 O10	353.05032	353.05078	0.15011184	353.05038	9125	10179	8696	7366	27244	22755	1851	0	30442	0	1830	3269	61507	16807	5801	2222	0	33989	33993	0	0	6591	10999	1242	2267	0	0	0	0	0	1609	0	4284	0	0	1993	6172	4271	0	0	3279	7470	963	359	475	1617	4141	1483	1934	0	4939	7415	20971	392	34650	28267	13809	4021	1614	1346	2146	2610	67344	36370	9873	40933	11786	0	1699	0	0	1612	1393	0	2010	0	639	3819	10614	3468	7437	2402	0	0	35670	12451	6824	9228	14173	2681	0	2307	3917	5878	3692	0	5901	7873	15874	34140	33282	6874	3617	0	3009	2793	21491	401	1472	52487	Phytochemical	0.6666667	0.8	0.0
14	C15 H12 O10	353.05032	353.0509	0.12637614	353.05035	19051	18365	14218	12221	60884	28951	4221	3793	63408	5983	3553	11018	99770	26397	7521	6441	5090	54036	49087	2305	4374	8274	15746	0	1688	0	2837	0	1329	2066	3591	0	6994	0	7297	2049	4801	8970	0	2395	5724	19044	0	0	233	2933	4022	922	2354	1594	14357	13450	39061	266	52053	51634	25221	3294	0	0	0	2435	110126	79659	24227	76804	21463	5880	0	0	1397	1390	0	1619	4555	1613	262	7151	17029	0	14828	3383	0	0	66810	20751	15221	23210	23128	13138	0	0	3387	18695	6058	0	12149	14707	36285	77343	71870	10331	8327	0	0	7922	36217	0	2673	110548	Phytochemical	0.6666667	0.8	0.0
22	C15 H12 O10	353.05032	353.0509	0.2610507	353.0504	2862	6110	3010	6532	22652	10818	0	0	15948	0	0	0	23786	16280	2996	0	0	25758	13090	0	0	9388	5514	3282	0	3494	0	0	0	0	0	0	0	0	0	0	0	2432	0	0	0	0	0	0	1360	4866	6254	0	0	0	5836	5170	12168	1370	17510	18686	8218	0	0	0	0	4124	40678	23210	7292	25856	4202	2586	0	0	0	0	2008	0	0	0	1674	4804	7374	7000	4788	3196	0	0	30794	11092	3324	4636	4142	3794	0	0	0	12708	12742	0	3984	7328	12150	18130	30286	0	2760	2520	4128	0	17958	0	0	39324	Phytochemical	0.6666667	0.8	0.0
6	C15 H12 O10	353.05032	353.05096	0.16132738	353.05038	3718	1528	2804	3450	16048	1530	0	0	14462	0	0	0	22950	2322	0	0	0	10184	13356	0	0	2382	2740	0	0	0	0	0	0	0	0	0	1524	0	1490	0	0	0	0	0	0	3006	0	0	0	0	0	0	0	0	0	2616	4776	0	10796	18394	5312	0	0	0	0	0	31566	12126	3222	16392	4144	0	0	0	0	0	0	0	0	0	0	0	1276	0	0	0	0	0	19946	2572	1554	5860	4250	0	0	0	0	2226	3044	0	1772	1248	9962	29755	20076	0	0	0	0	0	9816	0	0	30454	Phytochemical	0.6666667	0.8	0.0
10	C14 H12 O9 N2	353.06155	353.06235	0.2613536	353.06165	5546	0	1758	0	8141	0	0	2140	13410	4726	3886	0	15038	0	0	0	0	7630	3666	0	0	3378	0	0	0	0	0	0	0	0	0	0	0	0	7034	0	0	1914	0	0	5522	0	0	0	0	0	0	0	0	0	2954	0	4594	0	8900	10608	1962	0	0	0	0	0	22722	11630	1506	8580	5300	0	0	6586	5470	0	0	0	0	0	0	0	0	0	2116	2682	0	0	10406	2108	1924	4410	2260	3412	0	0	0	8300	3502	0	2558	0	0	10380	7928	2870	0	0	0	2382	5330	0	0	24132	Unclassified	0.64285713	0.85714287	0.14285715
22	C19 H12 O7	353.06558	353.066	0.08239674	353.0656	9143	9923	5338	5692	10861	7547	5928	2200	11610	15357	9738	4376	10392	5611	4911	9935	7417	13119	16755	6140	8703	24553	8349	5223	4557	9032	4280	4181	2409	4689	2083	0	7232	0	18307	0	4941	4794	7121	8331	15596	9920	0	0	0	7692	9863	0	3982	3793	7153	6531	13550	0	10448	7818	5818	5039	2945	6092	6362	5801	20855	13524	6565	14533	14130	5611	6508	5585	16120	1887	2218	1331	3902	2530	0	2367	14184	15615	10544	7209	4229	6592	14714	10525	14533	11061	10067	10405	3556	6906	5434	31097	26183	0	7655	11638	12436	16288	14385	5038	4875	3653	4656	7684	15517	0	7456	10951	Phytochemical	0.36842105	0.6315789	0.0
20	C19 H12 O7	353.06558	353.06604	0.122030735	353.0656	18134	13513	12153	14669	17828	12182	5714	4495	16846	25463	19714	5101	13034	11848	8371	6929	6828	27329	25481	12152	16008	29206	9211	8023	3842	18160	6207	10264	4017	3259	4836	5636	5828	4834	36562	4607	6593	6672	8258	12589	14930	11918	934	0	332	9993	18631	0	3217	4042	15446	12407	17055	295	18592	12215	6973	8542	5157	6952	4622	12058	25217	15739	9403	24494	12617	7189	12428	14490	22959	1973	2692	1567	3877	6925	359	3792	17106	31016	10169	11482	6710	12707	18772	12302	11325	17193	15191	15471	9898	7771	14990	39947	27621	0	15028	12062	17574	19663	21513	8842	7074	7015	10667	10582	20599	0	7826	18934	Phytochemical	0.36842105	0.6315789	0.0
18	C19 H12 O7	353.06558	353.06607	0.16048627	353.06564	16127	14851	8627	16567	15600	11434	7734	3035	16972	29155	25589	3767	20625	12168	5515	10167	3929	24214	25466	23432	17779	35188	5046	5309	7443	21049	7197	14675	3224	2053	2722	4334	8430	0	44004	3095	4095	6743	3474	20713	21628	6375	477	0	0	12188	13725	0	3781	3556	13949	13076	12319	0	16010	13769	11344	8956	2736	5711	8024	13156	22701	16847	11943	23375	13732	4507	21213	19023	31651	2803	2357	0	3544	0	0	3246	16953	28685	14400	12229	5252	12518	16077	11377	16820	12159	11149	14595	8299	10782	8638	33225	39445	555	17131	12196	16918	17303	16934	6434	3280	8186	8542	4523	15288	0	7785	19153	Phytochemical	0.36842105	0.6315789	0.0
14	C19 H12 O7	353.06558	353.06616	0.27375904	353.06567	8975	6036	3859	5261	8554	2940	2792	0	6938	16883	9968	2237	5526	2515	0	0	2201	5323	7785	11992	10681	14114	3408	4430	2451	11842	0	0	0	0	1324	0	0	0	27547	1776	2004	3753	0	7976	9027	1907	0	0	0	3775	10663	0	0	1026	6219	4888	5977	0	6345	3076	3852	3628	0	0	0	4164	6515	4707	3419	5587	3861	0	0	6786	14653	1042	0	0	1346	0	0	0	4907	0	4631	5920	1350	3609	7106	4845	3970	5281	3967	5960	3925	3574	2394	17577	15563	0	5534	2057	6788	7449	7181	0	1632	2718	0	2119	3992	0	3105	6080	Phytochemical	0.36842105	0.6315789	0.0
16	C19 H12 O7	353.06558	353.06604	0.13685496	353.0656	13259	14536	9045	11468	12198	7585	4288	0	13980	30526	23162	2899	12353	7773	3426	3879	3351	16396	19793	20862	18788	27052	6103	2000	3590	14576	2188	7621	0	1723	0	0	2997	1353	39944	0	6050	2899	4069	11723	14336	4751	357	0	0	8162	12237	0	3507	1339	9295	9509	5008	0	14836	10090	7197	3116	2351	4575	0	7421	17500	9705	5173	14456	5296	0	13385	19963	26938	1480	1450	0	0	2634	0	1609	11636	21908	6179	10202	2307	6339	13234	7800	9297	5874	6790	0	6710	7255	0	27629	31329	0	9036	9033	12578	14576	12033	3990	2683	2494	7554	0	8701	0	5464	15510	Phytochemical	0.36842105	0.6315789	0.0
18	C16 H16 O7 S1	353.06894	353.06943	0.2172615	353.06903	15838	15890	19349	15162	20557	19701	3380	3315	34316	53500	31504	2797	24542	8412	0	0	3201	31608	32007	37206	19922	46301	3477	4756	5346	36294	2713	26792	3233	1986	2035	3729	7492	0	53108	0	5409	2071	3164	35488	29595	8389	556	0	0	11580	11541	0	2535	0	18742	20649	11133	0	20917	13216	7736	5658	13917	7667	5076	30684	14795	16510	5634	20808	7251	2427	24513	42362	37920	1238	0	0	1678	0	0	2289	2970	36912	2252	10255	8615	22411	17123	7404	7772	7095	10149	4656	31580	45370	9786	50015	68590	0	15941	15053	13342	9512	8823	8341	1690	9954	9741	4565	10539	0	4442	24240	Organosulfur	0.4375	1.0	0.0
6	C20 H16 O4 S1	353.0842	353.0849	0.41158628	353.08435	0	715	1795	880	1618	765	0	0	2056	1175	2204	499	1469	1094	0	865	0	0	1621	0	0	0	750	0	0	0	908	0	0	0	1028	0	0	0	1611	0	0	0	0	0	0	784	0	0	0	0	0	0	0	0	0	1190	1737	0	0	1908	1833	0	1431	2663	0	0	2708	2452	2107	2412	1449	0	0	0	0	0	0	0	43197	0	0	467	1139	0	902	0	645	0	1378	2146	0	997	1449	0	0	0	0	1078	0	0	0	0	2484	2178	1880	1171	585	0	0	0	2779	0	0	2326	Organosulfur	0.2	0.8	0.0
22	C16 H16 O9	353.0867	353.08722	0.19608417	353.0868	11656	11272	7460	12645	22787	12915	2164	3164	27436	10486	4432	7414	43646	12182	9162	4079	3297	28798	22800	6911	8182	15876	10949	4267	7953	2628	3100	2478	6026	5040	4114	0	8425	5028	10239	3710	6406	6069	4718	7567	11850	7738	0	0	1964	9515	11542	0	4829	4038	12326	8226	18270	1500	34523	26154	14395	3883	7195	4825	7212	7114	46902	25991	10176	30589	10132	4507	4156	7436	6493	4335	5028	2180	3773	4492	2107	5827	14580	9217	16328	8488	3715	3654	30485	14877	16713	6942	9584	4121	5128	7796	5509	13383	19140	0	15482	11162	17818	28336	23324	7293	8007	4232	10313	6665	21144	0	5536	49543	Phytochemical	0.5625	1.0	0.0
24	C16 H16 O9	353.0867	353.0872	0.24390346	353.0868	4794	5139	3823	7265	11680	7436	2207	2587	18488	4429	2161	3386	30294	8178	4403	2672	1769	22998	17269	5105	4867	7186	7549	4081	0	2123	1551	0	2067	1197	0	992	2761	1348	4253	2174	4089	3504	1823	3968	3293	3176	0	0	0	4334	5428	0	2462	0	5029	5488	9033	0	22907	15438	5497	1764	2896	1726	1679	4165	27555	17028	4708	18638	3988	2265	0	1849	4692	2662	1124	2434	1516	951	0	3617	6040	5404	8556	3137	1529	1511	20113	7220	4174	3796	6372	1738	3548	3519	3785	7494	8248	0	8289	7351	8173	12538	18834	3248	3016	4143	3880	4569	10200	0	2437	26575	Phytochemical	0.5625	1.0	0.0
20	C16 H16 O9	353.0867	353.08716	0.11483247	353.08676	30712	26967	29210	20208	50685	30490	9557	10463	44595	26631	17341	15376	90107	24849	26096	9013	8979	66749	55475	16746	19808	30216	24908	16069	18095	7198	8312	8460	13463	10355	12037	12440	25763	14188	31588	12894	20853	16167	8328	19778	19643	16523	2853	1371	2111	20998	25266	2467	7900	11129	30738	26876	34560	1689	55424	47153	27250	14877	13650	10231	12616	20964	86069	62248	22142	66463	28929	9195	13922	12235	16704	13044	12362	10833	8740	12676	1478	13906	31846	15595	29370	22612	5816	11440	59588	31281	27310	20565	25190	11424	14121	15962	18685	29921	18566	1749	28652	26352	40048	48223	46677	15565	19134	14999	21905	15597	35079	1646	12961	98639	Phytochemical	0.5625	1.0	0.0
4	C16 H16 O9	353.0867	353.08737	0.08802851	353.08673	7902	8781	5974	8314	14715	6307	1902	3400	16224	8630	9479	4310	21706	7302	2749	5707	4957	15646	15546	5295	10252	8678	5949	6194	1834	2837	3025	0	2689	2746	4105	3372	5573	2167	11706	2698	3670	3742	7218	3825	6468	5984	796	294	780	3343	5195	468	2640	3151	6324	6816	8189	738	16513	19299	7341	4992	2491	4506	5694	3163	29501	17633	7409	16012	6028	5102	7860	5135	9038	3257	3113	2482	2693	3454	487	2479	7923	0	6066	2761	1405	1442	21224	6632	6098	7152	8800	6072	2295	1830	6798	5910	4141	1326	6127	8440	17947	29221	24486	4335	4215	4911	3433	4002	13008	518	2978	27873	Phytochemical	0.5625	1.0	0.0
18	C16 H16 O9	353.0867	353.08716	0.10218829	353.08673	79945	68104	72507	62523	108807	86088	25598	38330	127493	67724	49494	41303	249602	63805	54978	40374	28519	185499	151713	58152	66815	72709	60877	41498	30194	18110	31280	19756	37600	35275	38101	36891	64008	33623	67990	29135	61161	49416	29545	55243	54062	50287	4487	1474	2187	56083	63100	2096	41911	35184	68003	62751	80907	1684	185309	101942	55929	45473	43178	23122	37870	50635	207529	144865	47522	134106	60570	26150	42739	50245	53201	36622	30495	28496	20719	30523	2241	43021	67843	47942	63378	59162	23790	21212	121659	78315	59477	51020	66451	24096	30952	58515	52128	58212	61360	2116	64760	62672	92819	110623	93068	44517	33997	33359	45927	35039	81334	1440	27570	204273	Phytochemical	0.5625	1.0	0.0
26	C16 H16 O9	353.0867	353.08716	0.16139549	353.08676	6162	3168	4361	5825	6784	6929	0	0	12542	2665	0	4142	21730	6080	0	0	0	12585	9832	5549	4769	5055	0	0	0	0	0	0	0	0	0	0	3332	0	9746	0	3200	3480	0	0	3588	0	0	0	0	0	0	0	2014	0	4839	4820	8015	0	13205	9823	3947	0	0	0	0	0	19568	10331	0	12224	3644	2421	0	2892	3410	0	0	0	0	0	0	0	3651	0	5646	0	0	0	7732	0	3440	4127	3338	0	0	1880	0	4073	0	0	3502	0	5534	7556	11281	0	0	0	0	4213	6059	0	0	19956	Phytochemical	0.5625	1.0	0.0
4	C15 H16 O8 N2	353.09793	353.0986	0.0471515	353.09796	11834	11961	10653	10753	13850	6825	4398	10005	18747	11107	13538	8372	22813	3582	6902	10389	14244	17691	19462	8235	14747	16414	9595	11345	2246	1715	5413	0	7748	6302	8219	6835	13027	6912	15454	7303	9724	7640	15927	11526	18304	11586	0	0	0	8331	13370	0	8374	7250	14035	11568	12766	0	18674	17532	8920	10436	6815	11779	10132	8656	30916	22431	14871	19975	9203	14936	4529	2862	5929	7188	6457	6051	3687	6298	0	5591	7374	0	8284	4878	3368	3089	19122	8509	5880	13627	12647	19058	2473	5393	19962	9316	7877	0	11104	12074	15307	22799	17347	13519	7354	10077	7799	12976	10913	0	5466	34517	Peptide	0.53333336	1.0666667	0.13333334
18	C15 H16 O8 N2	353.09793	353.09845	0.22628689	353.09802	10492	9729	10007	10477	9867	10207	10627	8974	6703	4841	4656	11545	9073	4844	9722	12157	21052	17731	15850	1968	7430	14877	15252	20762	8315	3869	8112	1451	8367	6625	6762	6616	13075	11308	5827	5770	12038	11572	21083	6153	6757	11937	0	0	392	5184	5734	0	15386	7544	11842	12018	12698	422	15027	4712	7225	15188	4861	6127	15351	4965	11134	10552	8431	14652	12768	19293	4428	2189	4146	5182	6804	2636	15430	6878	0	10055	21583	6060	14933	3042	4262	3172	10449	9893	16702	14264	12238	23716	2886	5626	32580	7687	6049	548	12130	8908	4843	3956	6012	12563	9236	4958	2300	15654	9387	444	14825	13385	Peptide	0.53333336	1.0666667	0.13333334
6	C12 H20 O8 N2 S1	353.10132	353.10214	-0.0154968	353.10132	700	965	0	0	518	0	0	785	0	1308	3574	618	647	0	708	0	0	766	964	1099	749	1158	752	0	0	0	0	22071	788	693	0	0	0	0	1713	0	0	0	0	0	745	778	0	0	310	0	0	0	0	1069	614	714	0	0	990	715	855	0	0	780	0	0	0	0	0	0	0	0	0	0	0	660	974	1023	0	1084	0	0	571	0	1215	849	418	0	491	0	0	524	506	1197	0	1313	0	824	0	0	804	1134	816	514	634	1242	0	0	0	0	1101	0	734	908	Organosulfur	0.6666667	1.6666666	0.16666667
18	C20 H16 O6	353.10196	353.10242	0.1201984	353.10202	47588	47966	45983	41090	40653	27083	15358	18511	42476	146126	109200	17661	44929	29946	16812	29361	18870	53416	61612	95967	103337	72105	26468	28385	24585	205780	17529	89467	13311	14441	17842	16426	30380	16473	154795	17614	25402	19381	17962	81949	77812	22663	2332	0	789	55122	56189	625	21267	19765	54977	43685	31915	744	43196	41025	23363	31644	21016	26621	25331	55738	54743	37807	20794	57193	32373	20175	164317	189640	241348	15782	12727	9449	13873	17765	315	12896	43460	56213	33346	50511	18476	53851	42255	33421	36814	31198	32875	34811	45617	39261	35534	80989	93514	1166	50169	44150	45731	47037	42164	22987	17842	23946	30180	18159	34845	461	24530	51060	Phytochemical	0.3	0.8	0.0
16	C20 H16 O6	353.10196	353.10248	0.14830722	353.10202	29311	32025	26707	32770	37581	16323	11112	16428	27660	76258	71031	12144	29053	16638	15809	25931	12891	30246	35629	61090	61982	46849	19008	24825	17171	121685	13936	43651	13286	12490	17803	10484	21026	12534	88514	14121	22942	16797	14734	51886	46852	16645	1183	0	336	31996	37259	660	18383	13120	37857	33163	20008	374	20973	17921	13807	24949	14273	13485	18768	33232	30471	23238	14139	29013	20917	16098	102393	122638	162536	13727	12397	10462	11011	14498	367	10539	33147	40133	22499	30867	14557	38394	35198	18268	27786	18813	19531	25626	26301	23296	0	46718	59256	992	33723	29641	28420	30381	28533	22254	11723	13033	24579	20861	25881	361	19875	31952	Phytochemical	0.3	0.8	0.0
26	C20 H16 O6	353.10196	353.1024	0.18977822	353.10202	5558	5861	7170	4084	5027	3521	0	0	6920	10252	10105	0	9821	4275	0	0	0	7050	11286	8306	14377	12166	0	0	0	18048	0	6186	0	0	0	0	0	0	15764	0	2153	0	3901	7617	14298	0	0	0	0	5520	9153	0	0	0	4594	3546	5123	0	5756	0	0	3103	0	0	0	4477	9009	7551	2554	6662	0	2901	20567	17449	30869	0	0	0	0	2204	0	0	4811	7967	3966	5586	0	5607	10809	0	4409	5627	6542	2399	2028	3063	0	9974	12880	0	3463	0	4949	6363	8131	0	0	0	6481	2018	7453	0	4384	10769	Phytochemical	0.3	0.8	0.0
22	C20 H16 O6	353.10196	353.10242	0.11803783	353.10202	32421	36659	33939	35560	36920	23973	13497	15928	46440	85683	93633	10586	30196	28225	24940	21364	17010	41945	37381	64797	75789	57363	24065	28411	25965	142873	11363	69381	10260	9493	12772	9619	17441	8823	95790	14660	15562	24800	13894	55101	75075	20634	0	0	947	46871	55537	0	16121	15539	38250	33981	26033	1230	31680	31902	22713	19078	24459	19202	21950	46050	54847	32454	17660	42716	24456	17236	131824	116843	186566	9659	8436	5163	5758	8751	730	11690	39136	66201	34946	33094	24295	48916	54475	27738	30122	26401	19080	26928	24771	29543	24295	89179	82004	0	39165	32405	32505	44162	39073	20659	18279	24003	34805	18556	32172	0	30089	44527	Phytochemical	0.3	0.8	0.0
10	C20 H16 O6	353.10196	353.10248	0.016082661	353.10196	131924	126516	112692	119306	124598	80028	63719	107527	137656	125321	106392	124292	172839	45066	79660	113942	137559	169434	182847	87851	149481	196795	126639	115130	39418	19248	60183	40342	74665	74487	85581	92649	161126	85442	150034	80506	139080	83219	147938	118339	187536	101678	1611	0	349	83138	125535	0	99113	79413	131484	125991	113204	0	161807	90070	65700	105958	93396	111154	127759	97901	205734	172243	76538	155886	106055	179765	52770	40437	75242	91045	82654	69270	98304	75697	0	84397	119493	78555	93164	61917	43160	32593	116676	59160	103767	128463	122379	185947	39514	94754	212230	122547	103558	688	128717	115100	87562	102316	95996	137212	97531	91363	76588	157983	89396	0	61161	283896	Phytochemical	0.3	0.8	0.0
24	C20 H16 O6	353.10196	353.1024	0.113563664	353.102	14292	15410	10874	13338	16572	6470	4652	8266	19000	33447	33342	6728	12729	7874	8177	10253	7253	19856	18310	20235	30243	31308	9180	17413	4933	70162	3440	21906	5464	2898	4338	2255	4741	3093	36556	5284	4319	5623	4623	17959	34279	5023	0	0	0	22329	34368	0	10073	6882	12888	12273	14640	0	14175	12742	10648	6824	6940	9060	13319	16996	21555	13643	7317	20397	9771	9524	67900	40902	85256	2795	4098	2936	4202	4069	0	4609	14705	25667	12794	18878	6937	22202	27716	10967	10160	9827	7833	10633	6146	7202	8247	39058	37455	0	15454	16304	14320	17197	17462	4646	4888	10183	15533	8438	12851	0	8761	17919	Phytochemical	0.3	0.8	0.0
12	C20 H16 O6	353.10196	353.10248	0.07078443	353.102	13192	10674	7285	9973	4767	2234	3783	4989	5831	22635	16866	6626	4438	4196	4780	5615	8359	7212	10227	13824	18042	9835	6981	5091	4743	25995	4591	0	7198	0	5269	6257	8041	4689	21186	3916	6347	5933	7489	9409	9724	3453	387	0	0	12859	11195	0	7316	5707	7350	8247	5174	0	6469	6254	4228	8759	6607	7183	0	8107	7801	5449	4658	7080	6359	6521	0	23915	26105	5715	2212	4379	4962	8627	0	3880	7120	0	6858	10298	6044	11911	7932	5257	7895	4545	5988	10257	6957	6081	8636	11199	12568	434	5967	7895	6125	7319	7227	7574	3757	5495	0	6360	4359	0	6699	5091	Phytochemical	0.3	0.8	0.0
14	C10 H17 O3 N8 S1 Na1	353.11148	353.11185	0.08803546	353.1115	5827	6313	4884	5924	4703	3515	3785	4508	5882	16600	11068	2481	8352	0	4348	0	4662	6346	11201	13136	16969	10719	5827	0	3939	35171	3596	8536	4490	1511	4239	0	9163	2333	19343	3778	3835	2557	6864	14240	19182	2970	0	0	0	5822	10276	0	3280	2813	6915	7648	5923	0	11674	5181	4202	0	0	0	0	9280	12135	9055	2104	6024	5518	7066	20170	36896	40597	1198	4030	1390	2641	1457	0	4105	10812	0	6522	10610	3826	0	5482	0	5351	6971	5002	13318	12210	6976	6677	13025	7883	0	6433	6161	2970	6880	0	3963	3681	0	0	8200	3501	0	3169	9963	Organosulfur	0.3	1.7	0.8
12	C10 H17 O3 N8 S1 Na1	353.11148	353.11176	0.006798511	353.11148	3442	4854	8276	4451	6169	4168	3605	5361	8960	17051	12410	2400	3463	3280	4688	3035	0	4196	8393	6992	12914	0	3355	0	2073	27923	2474	0	2263	3295	5490	2322	4229	2868	20517	3781	3701	2965	5615	9564	15875	2987	0	0	0	9183	14461	0	4034	3118	7269	5490	4062	0	8831	3809	4302	4632	0	0	0	8803	7293	6768	2776	6950	4963	6362	25375	30853	47523	0	1545	1862	2693	4473	0	4907	5030	0	5888	8108	3856	10071	2377	2221	4229	4058	3462	12787	4326	6586	6215	7824	12177	0	4330	5191	2986	5279	5171	2947	3667	3419	0	4159	3767	0	3234	8489	Organosulfur	0.3	1.7	0.8
4	C21 H20 O3 S1	353.1206	353.12128	0.36595803	353.12073	0	1280	610	816	518	0	525	0	685	0	0	678	293	0	0	0	0	0	845	0	0	1089	0	537	0	0	1520	0	0	503	0	0	0	0	0	0	0	647	0	0	810	708	0	0	0	0	0	0	0	0	647	0	679	0	639	688	852	0	0	1428	0	0	898	1262	0	0	646	0	0	0	0	643	0	359	26398	0	0	0	0	0	0	844	749	0	1031	1195	544	0	521	482	0	0	0	0	0	0	0	0	810	1848	1159	0	0	0	0	767	891	0	839	0	Organosulfur	0.14285715	0.95238096	0.0
14	C21 H20 O3 S1	353.1206	353.12115	0.15881045	353.12064	0	0	0	0	0	0	0	2832	0	0	0	0	0	0	1929	0	0	0	0	0	1950	0	1731	0	0	2438	1703	0	0	1641	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4304	1258	0	0	0	0	0	0	2324	0	2235	0	4392	0	0	0	0	0	1633	0	21190	0	0	2522	2000	0	0	0	1867	0	2575	0	1302	0	0	0	3456	0	0	0	0	579	0	0	0	0	0	0	1970	0	0	0	5894	448	1347	3873	Organosulfur	0.14285715	0.95238096	0.0
24	C17 H20 O8	353.1231	353.1235	0.10990758	353.12314	25225	27107	21679	25487	26238	20814	8821	24727	29816	34694	14561	17706	46385	21569	28552	18883	17277	46729	40712	32977	29170	29009	28733	28015	18293	13814	10364	9628	21199	18025	18616	19583	31567	21854	43860	23540	31973	21764	18564	21312	20015	18917	4929	3093	9093	21561	20175	5189	21519	22119	25316	30005	25427	5783	45363	29944	17232	24083	21522	12719	27984	18849	45489	37695	12973	36180	18935	17296	20664	31201	26233	23087	24023	19574	13555	25851	6347	19897	28675	10027	25900	22128	14684	12943	30742	22066	21523	17731	24433	16281	16273	20622	33338	14526	20893	5662	25247	21283	21664	23651	21590	25725	20587	25389	14644	21676	23035	5633	17235	52743	Phytochemical	0.47058824	1.1764706	0.0
28	C17 H20 O8	353.1231	353.12354	0.05843655	353.1231	16358	16080	12772	14802	15232	12619	9086	13237	16750	20987	12305	9755	23291	10134	14742	15447	12870	22592	23123	27481	20101	18417	17470	15613	9344	13246	10813	11882	15011	14058	12971	10835	14433	13008	29162	14616	17355	11112	10968	16000	13603	14941	4230	2907	4379	15442	12025	3684	13351	15934	16072	13097	12896	5145	16422	14150	9067	13758	10467	8728	15202	10722	18008	13862	6745	17755	12415	9835	20018	23160	17929	16376	11571	15992	10638	13010	4114	11370	14766	8567	14433	11529	11589	12369	14333	8756	13452	10788	11044	9329	18475	13280	15870	6751	10325	4476	13322	14165	10870	12541	11140	14676	10390	13851	11877	10520	10529	2773	10572	20341	Phytochemical	0.47058824	1.1764706	0.0
8	C17 H20 O8	353.1231	353.12363	0.10589524	353.12314	558374	603446	432524	282515	378154	269386	343240	541284	261546	825240	268200	405624	542612	206248	410284	561530	462618	475236	318115	804242	434680	318995	252755	622258	118101	293161	352930	380360	457602	450324	426108	512210	462962	402222	1029602	423550	467322	402380	282843	617464	370332	329010	6868	2813	3628	578034	627134	2826	514292	500406	542584	547228	347002	4173	362881	423950	289656	491504	451682	252189	290428	441818	307538	579192	134135	444598	326800	561776	755056	824960	1153550	252414	218375	419882	287882	489812	3231	373704	313346	156274	525632	203297	414910	346752	477376	136049	486012	278580	191659	522374	145610	222363	285551	454378	520900	5305	569080	572844	461024	241173	454256	260240	375114	635062	165607	441348	211598	2189	171927	619494	Phytochemical	0.47058824	1.1764706	0.0
4	C17 H20 O8	353.1231	353.1237	0.054799102	353.1231	19543	19629	35456	34580	28896	12985	24390	19537	17484	17320	19151	28064	17619	16565	14301	28606	48022	16026	39394	21444	42380	24556	36154	36322	20604	24018	11093	11212	17190	33420	31256	14554	38024	11768	23741	17506	13876	14369	25307	14225	42154	16295	3224	2959	4661	19094	19911	3792	16741	34342	33468	15193	24776	3472	22213	33082	25162	36372	29228	35152	41290	12236	20031	17713	13797	31622	20220	23863	25246	14013	23903	27060	14310	18412	6383	41032	2886	12757	18869	7220	37780	15706	26110	8205	19900	28892	14361	25606	31198	34594	10461	10283	18906	13016	11380	9386	17198	19846	18127	19611	18930	20557	16744	38018	14107	30220	25710	3847	23244	39084	Phytochemical	0.47058824	1.1764706	0.0
22	C17 H20 O8	353.1231	353.1235	0.08359596	353.12314	69520	63639	58332	70015	65133	61323	35727	64513	75434	95767	41054	43710	87421	42334	60945	62071	40906	110284	73094	65711	83668	65520	66718	71114	53515	49703	27052	27769	64052	47212	54650	57584	67051	50008	82231	54872	71588	49871	40799	61180	47150	40128	10500	4977	6752	64546	62698	6122	62119	57275	63291	65102	53159	5841	100902	70513	50342	64948	44021	33215	64902	45438	101814	79585	34652	83783	43842	32438	49368	75609	70311	63443	53459	56452	33442	57157	6888	50594	74410	24753	71413	47301	40381	35080	84918	50144	63738	46161	56474	40347	47599	52565	67728	34757	52185	6043	59325	68510	56004	67500	63773	65121	46607	52997	43027	49167	51332	5966	45097	123821	Phytochemical	0.47058824	1.1764706	0.0
10	C16 H20 O7 N2	353.13434	353.13483	0.010641003	353.13434	637228	602812	594109	554884	313514	342823	460797	775279	390229	495000	292428	536378	358820	163443	579126	745718	630985	650394	695378	604301	580718	825035	613502	826140	453046	97304	477484	210604	724916	659266	691941	812091	1052254	715158	632144	722029	979400	542985	809785	613570	572898	424660	5848	1100	586	615581	516400	0	806743	646930	669725	616373	435612	1354	552688	210157	257392	871742	665560	504620	853265	398593	381186	407858	254138	450856	443729	765243	181939	275360	258342	775186	726101	614539	544003	643502	0	513019	498271	259055	458138	384128	463403	240288	247596	295408	516659	565769	619660	688123	405908	596966	1082717	368104	479649	3053	632447	621070	238863	211151	214356	891510	525294	734969	389202	806056	251599	0	468124	615586	Phytochemical	0.4375	1.25	0.125
16	C16 H20 O7 N2	353.13434	353.1348	0.05166311	353.13434	150485	154893	134646	147910	109661	97773	134766	154973	108494	168376	142482	97400	101090	63005	146118	168554	125977	150749	163838	148058	159331	173998	134039	194354	115799	188024	116842	399669	144329	122447	152738	150928	174136	122281	167176	135590	200771	118323	155451	126592	145815	99709	3547	1477	1913	110556	107741	1586	170980	134644	133742	146463	105782	1490	100589	67137	88543	177679	129413	109249	164594	88852	106578	90250	65802	117803	117024	133542	149681	213589	248508	139694	126783	115128	109672	141010	1402	105735	148050	118018	119480	102076	104855	97522	97601	84866	167374	113502	120869	167996	196610	206647	219515	97742	132256	2614	154884	132158	75727	83567	75221	187952	106244	127883	68681	188233	82337	1195	133460	135812	Phytochemical	0.4375	1.25	0.125
12	C16 H20 O7 N2	353.13434	353.13483	-0.011009957	353.13434	383639	420524	416384	388928	231223	241304	413091	524589	314775	284929	208026	312237	261923	134418	473288	457219	403838	457489	518949	371324	343992	583020	472600	572797	381438	69684	292892	163241	498940	385846	490304	478590	688675	477289	420178	454481	587057	454927	475181	383649	389521	282468	3799	568	563	368726	338048	728	545792	433875	389981	373626	309259	1063	450313	171054	229870	539042	490306	353979	510437	285311	309812	297613	198813	343386	319720	477848	112030	199995	184970	455275	428313	403059	335537	411006	254	383687	352476	231542	346265	269039	336209	179524	189964	244813	413875	327142	380595	525201	336225	477444	771978	258344	270401	1761	435682	410461	193548	144977	148696	527892	344120	423803	254238	585896	206791	762	357404	444612	Phytochemical	0.4375	1.25	0.125
14	C16 H20 O7 N2	353.13434	353.1348	-0.006165812	353.13434	192287	205221	195067	200465	114542	151670	209612	253115	130935	164212	91916	153780	137586	59878	227077	201272	224072	200345	196429	170914	159454	306340	201681	246147	214655	40363	184492	91225	210046	184879	205831	264191	288069	209797	198657	214023	274763	203160	235685	199197	170459	144815	0	416	408	163449	158611	444	239402	196115	186432	189533	144184	719	190298	82875	116278	263839	244051	158221	268747	151614	124509	136314	107745	155370	166450	217565	50068	93534	94914	210299	191674	183618	188547	184564	396	185297	184975	106765	180775	116294	159057	100518	100374	118909	207882	160226	179760	282335	186221	294556	428909	141848	165529	1478	196951	192756	82606	76155	82254	256763	176182	247084	107518	267247	87827	751	202811	176631	Phytochemical	0.4375	1.25	0.125
4	C16 H20 O7 N2	353.13434	353.13498	0.047916025	353.13434	102689	112536	94412	95702	59407	42513	42458	100758	78243	90237	78113	82732	95665	30639	69020	107316	163553	94116	103520	94419	117714	157934	88068	108271	37281	18443	54886	40156	75121	76776	83932	80753	114923	67701	139890	82233	104981	71395	201222	91229	162083	74173	1166	438	0	92366	154620	0	98325	94044	93823	82231	64852	378	98205	68805	49695	92882	83812	140610	96605	72570	116262	92830	53571	81888	58868	168371	37044	33652	47456	74289	73119	83802	51900	71437	0	57397	72077	49402	68410	61699	60009	34084	81749	55191	65687	81501	84003	136523	58908	80630	155692	78775	82170	897	91397	107154	59966	85160	80096	107656	65828	121986	70509	99410	63272	0	51344	127484	Phytochemical	0.4375	1.25	0.125
2	C16 H20 O7 N2	353.13434	353.135	0.04634817	353.13434	40140	40195	31749	32564	40961	32043	25493	37393	43464	28301	32975	40085	69403	16716	29377	12311	61187	49776	54368	24906	55100	56913	37387	32131	13309	4697	9365	17818	38678	23061	38567	35041	61028	36956	52643	30517	44439	26934	66314	33123	51423	34860	398	0	0	20296	33021	0	34914	25014	34639	39094	40259	0	49463	31265	22842	38825	25007	38331	15278	20615	76052	56802	22309	56944	38722	77355	10835	14739	18757	34303	36343	24580	9154	31251	0	25166	32853	17463	29700	17220	17418	9637	38552	22822	33442	48687	40574	68386	22187	35024	64057	33950	13372	0	40672	34002	27844	54786	49107	29008	30135	27818	18691	48928	34304	0	25823	84081	Phytochemical	0.4375	1.25	0.125
18	C16 H20 O7 N2	353.13434	353.1348	0.11700431	353.13437	138164	150450	116168	133767	99985	75793	115327	126262	79812	183535	161527	87923	119481	71511	109985	151980	92703	116047	142657	186930	188523	131873	104464	148954	108198	340274	103015	175174	121987	110523	112121	131127	172973	120477	191060	132575	155174	106189	94179	143017	171392	86226	5846	1588	2206	101564	104873	2237	137078	111314	132336	135239	92592	2424	100665	65218	77811	159266	78798	82930	129704	101698	106946	79343	71003	106556	99567	96432	281792	350267	470139	112081	100343	82590	91552	114595	1515	90785	136047	94065	110319	92558	75910	111175	100127	95103	129328	113217	107129	141216	121877	122339	177462	98446	118927	2707	126880	116552	80933	78546	82898	143509	91138	108672	58254	135292	63931	1746	109421	114759	Phytochemical	0.4375	1.25	0.125
26	C21 H20 O5	353.13834	353.1388	0.08195688	353.13837	15159	15447	12662	13496	20286	8639	2794	11615	14921	17850	23911	5646	20179	13070	0	9488	7310	14908	19551	28211	33043	18238	8656	9835	0	51245	3383	21214	5906	6356	8224	6226	7985	5434	28619	8407	8390	6426	10464	20883	26980	7014	0	0	0	12320	16190	0	9718	7870	12058	14628	12561	0	8872	17940	9407	10478	6513	7043	7757	11701	16553	10838	7944	22665	13172	9285	62940	42214	64996	7681	5430	0	0	7417	0	5030	15088	18266	11750	10361	8080	16676	15214	6279	13347	8978	11695	7486	8153	6617	11008	21324	17519	0	12637	11667	13318	18030	21634	10763	4853	10689	10152	8444	10534	0	10133	15478	Phytochemical	0.23809524	0.95238096	0.0
28	C21 H20 O5	353.13834	353.13876	0.05432345	353.13837	6512	5949	3942	4152	6357	2575	2138	4389	3750	5765	6808	1642	6551	2978	1991	3844	3167	4950	7934	8739	6950	6261	3155	4006	2730	17783	2205	7992	4568	3449	4303	3147	4892	2213	10991	2617	3958	2970	2682	6858	11971	3778	1418	0	0	4296	6101	0	4249	4430	5271	4319	3450	0	3906	5016	3359	4245	2296	3774	3348	3134	5581	2707	2405	8876	3536	4239	16177	17225	25193	2931	2924	3117	0	3750	0	2212	4621	8180	5183	3935	2485	6380	5354	2623	4671	3510	4713	4774	3582	3480	4951	5119	4522	0	5108	5305	4506	7251	6384	3149	2604	5017	3394	2568	3980	1181	3316	5419	Phytochemical	0.23809524	0.95238096	0.0
24	C21 H20 O5	353.13834	353.13873	0.08633205	353.13837	51939	53288	45673	44349	56279	32137	14182	37208	47141	102538	112672	22622	65517	33874	26654	31286	23405	57788	66251	86480	93774	60707	31236	38810	27708	230563	15500	103694	21722	31532	27817	23765	29601	25517	111031	29964	30135	25209	27211	78722	98159	31611	4242	0	0	53443	61671	2142	26838	37477	51833	51892	44398	0	43577	42802	28139	28548	26278	27660	32762	58698	49436	35241	24182	70012	50252	28497	202088	170094	236017	27924	24190	23207	13108	28162	0	22211	46168	54099	32187	49279	23754	75356	58009	29323	43359	32025	33872	34997	34163	34038	48046	67464	65972	3191	50092	53194	39249	39998	49561	36267	17661	39114	39425	32108	42884	0	29001	50874	Phytochemical	0.23809524	0.95238096	0.0
14	C21 H20 O5	353.13834	353.13882	-0.04623566	353.13834	38182	39691	35075	36017	19811	15129	30139	37058	23509	39079	36199	27374	22110	14684	29503	36761	36835	21057	24406	53715	47682	38526	28202	30213	25827	81665	24252	25977	25507	31782	26361	38167	31905	21326	56722	27759	29620	24927	36117	34521	43953	17549	0	377	585	35737	45382	1025	33059	30359	29693	38254	21017	698	23239	17977	18676	38870	28216	37451	28780	29382	17950	23066	17071	19112	21831	35163	60021	78516	102104	28110	25701	29327	26637	36500	627	23429	41068	17383	34071	32556	27826	32135	29939	17600	42488	16947	24509	47576	31572	28353	47116	22481	32363	1098	31421	31044	20578	28169	24321	30143	26905	31746	21850	26659	18813	408	29250	18215	Phytochemical	0.23809524	0.95238096	0.0
2	C15 H20 O6 N4	353.14557	353.1462	-0.045383688	353.14554	11224	11965	13381	13669	10824	0	8492	14870	10406	4094	5134	12354	14752	5226	13404	4372	17357	14892	15604	5677	9367	15682	16562	14837	7898	3988	1486	5070	15347	8388	14567	9427	20512	9052	11976	11527	18537	10339	21576	7975	9506	10331	0	0	0	6492	7450	0	13356	8389	12488	13023	9398	0	12277	6229	6888	15847	4755	7115	5832	3921	14943	9855	7227	15007	11883	22144	1325	4699	7788	11683	13151	8654	1166	7427	0	10304	13808	37656	10971	3028	3278	3749	9070	7340	16865	16092	11097	31446	18761	17298	33191	8061	1076	0	13501	14706	8994	6341	7407	12371	12796	6226	5391	20877	7387	0	12132	16477	Peptide	0.4	1.3333334	0.26666668
4	C15 H20 O6 N4	353.14557	353.14618	-0.104972355	353.14554	6857	7160	5801	6963	4307	4495	3422	7179	6270	3587	3138	4834	6978	2367	5139	8184	9301	6072	8028	4120	5016	10929	8451	9548	5251	688	3437	0	5274	5102	5226	5268	7830	4539	5658	5516	7023	6186	16939	4490	5384	4448	0	0	0	4776	8057	0	6257	5768	7809	4875	5229	0	7584	4870	4515	8173	5728	9171	8380	3887	8541	5265	4124	5511	3918	14129	1267	0	0	6848	5214	4830	2636	4782	0	4785	7005	4383	5689	2956	4002	1493	8423	4896	7532	5876	4787	19617	7621	8445	20827	3200	3737	0	5513	7529	4419	5155	5205	7243	4910	7440	3573	9128	4648	0	5093	7927	Peptide	0.4	1.3333334	0.26666668
16	C11 H21 O2 N8 S1 Na1	353.14786	353.14835	0.13389744	353.14792	6017	6189	5050	7616	2352	5000	2733	4713	5592	16744	5520	5360	6258	2778	5510	8454	2980	7250	5974	16605	17435	7178	6723	9647	5872	13225	1612	7251	4930	4479	5083	7675	6332	6786	11489	7009	8243	5110	5301	9179	4992	4929	0	0	0	3691	0	0	6466	6995	4070	6005	5613	0	10913	3720	3342	7903	4591	3319	0	6599	9500	6077	2226	3782	6166	3542	9335	21776	11928	4954	6064	5489	4066	4178	0	3460	7872	0	4189	5045	4577	4180	3228	3396	7920	5563	4627	0	5895	6958	0	3111	5860	0	4383	6139	2546	6327	3780	5035	2413	6920	0	0	5441	0	3982	7133	Organosulfur	0.18181819	1.9090909	0.72727275
18	C20 H20 O4 N2	353.1496	353.15036	0.64988804	353.1498	6622	7299	8566	12312	3323	6992	4671	6377	7615	16110	13484	5301	7792	5105	5078	8576	6953	6114	9389	16486	18214	9880	7849	7267	0	14784	5880	14141	6057	7248	6141	6233	8745	0	13195	7570	5715	5991	7626	10052	13514	4556	0	0	0	9709	17361	0	6650	5568	6868	7272	5937	0	10789	4915	3161	8783	8939	6808	5194	8819	7213	5631	3938	8196	7122	6483	13237	22129	24476	7688	9263	7050	5923	8430	0	4907	5060	12664	3966	5896	5590	10469	6698	4134	7194	4799	4934	9357	12157	15251	7880	10673	13451	0	8268	7509	4364	5340	3637	9553	3626	6569	5354	7898	2490	0	3920	7663	Phytochemical	0.2	1.0	0.1
14	C15 H25 O4 N2 S1 Na1	353.15054	353.15082	-0.2586014	353.15045	7396	12622	8262	9189	6001	5468	4247	9783	7444	13738	13490	6312	7067	3893	7428	9007	6875	8144	8293	14773	19434	7480	8416	9044	4728	27795	6313	16675	6322	5401	6378	0	9123	6148	9821	8835	8032	4597	7538	15989	13901	4217	0	0	0	7073	12191	0	8178	7959	6583	8665	3841	0	7606	5367	5088	6129	6507	0	0	7641	7800	7934	3700	8285	0	9736	16775	30824	23262	6330	6532	7145	7129	6306	0	5878	7508	0	8691	7939	7014	10319	7921	0	8886	5904	5288	13226	11846	9112	7600	0	11366	0	9481	11155	4443	8140	7824	9530	5699	9243	0	6810	6509	0	5356	6489	Peptide	0.26666668	1.6666666	0.13333334
16	C15 H25 O4 N2 S1 Na1	353.15054	353.15094	-0.17693722	353.15048	13357	11605	11989	9554	8438	6959	6639	8294	6606	19465	9887	7416	13181	6067	6671	12630	8453	16827	13491	21481	25138	9126	9445	13295	8681	26583	4762	8840	9763	7580	8894	7960	7978	9491	25839	8547	11696	6235	8326	14276	14578	7940	314	0	0	11735	16780	0	8634	8899	10100	16879	8824	0	10423	7892	5947	12042	7940	6078	0	11411	13851	11604	3082	10756	7987	12261	19863	34318	25404	7961	8603	7343	9448	10109	0	7878	11832	9024	11479	7053	7962	13358	7789	4831	12211	4692	7889	0	14919	13551	0	10760	16201	0	10029	11472	6362	6450	8775	10962	6911	12149	8184	0	6662	0	6879	8461	Peptide	0.26666668	1.6666666	0.13333334
22	C23 H21 O2 Na1	353.1512	353.15182	0.41577047	353.15134	1863	2723	1801	0	3621	2642	0	3978	0	0	0	2599	1896	0	1582	6366	0	5230	2630	2701	0	1924	2770	5455	1469	0	1762	0	8102	3565	3645	0	2868	20065	1673	5356	5929	0	0	1352	0	6878	0	0	0	0	0	0	7563	5918	2290	2376	0	0	0	0	0	4027	0	0	8749	0	3542	0	0	4957	0	1896	0	0	0	17474	14358	7006	3684	4458	0	2378	0	0	0	0	0	0	0	0	0	22471	2859	0	0	0	3911	0	0	0	0	1879	0	0	0	4108	3498	1600	0	3727	1104	0	1558	2321	Phytochemical	0.08695652	0.9130435	0.0
6	C25 H20 O2	353.1536	353.15417	0.009527237	353.1536	20208	29528	23510	22278	3208	8606	14932	24908	9492	27092	12416	15400	8048	1365	19092	26910	22208	13944	17734	26454	8674	30520	17720	28926	16568	2038	11896	13237	22002	18698	9676	11637	26782	27432	26858	23002	26918	7247	28236	21034	25100	11576	0	0	0	10233	32094	0	11513	24464	27164	25222	9652	0	15468	2176	3278	27216	20256	23074	27456	8152	10498	4963	2640	10664	15408	30070	2445	4282	6294	24886	24198	22750	5750	21632	0	14928	7508	48719	6464	5518	15128	7340	1927	3228	16922	12732	11928	34350	63643	30633	45010	16148	25766	0	22418	19570	2363	2521	2517	13628	13834	29712	8183	26788	1599	0	13950	4512	Phytochemical	0.08	0.8	0.0
26	C18 H24 O7	353.1595	353.1599	0.071959175	353.15952	33348	39724	36656	32907	32314	28895	25998	49376	37941	43808	17369	24868	62294	24015	38557	42786	27587	58739	54642	51244	47614	35091	32054	45116	22414	25586	22860	20026	46951	45934	38035	41927	45280	35847	43779	42675	49081	25548	31949	31913	24676	32889	4721	5292	0	27292	23018	6190	44663	37465	37388	43566	28303	0	61424	41215	25972	49451	25891	18543	43227	19415	48819	41665	18513	42977	29827	32306	26897	53662	33429	35847	39625	44129	32813	39669	0	29344	35328	13824	31567	18733	29508	25486	35425	27385	35432	25054	30148	26654	43618	29685	46196	13726	27659	6541	37037	42974	22465	40590	33344	39607	30597	37142	18698	31403	23610	6539	26929	48678	Lipid	0.3888889	1.3333334	0.0
14	C18 H24 O7	353.1595	353.15997	0.03766576	353.1595	2904012	2882188	2834780	2842128	2003102	1755260	2339006	3173168	2341364	3023320	2133428	2159168	2501036	1211072	2458958	3288084	2875110	2782600	3028986	4079966	4019558	2959440	2707884	3306488	2248174	3795754	2207038	1027945	1433005	2861218	2508244	1583064	3311268	2391946	3532268	2934524	2949232	2247530	3009676	2912586	1335020	2065744	40805	9021	7649	2616498	1180872	9160	3144332	2679898	2802656	2636566	1991930	11569	3108272	2018518	1530302	3354820	1209126	1142877	1622023	1803978	2762156	2610572	1390530	2395412	1990380	1402913	1427886	4561702	4298894	2667892	2633546	2817984	2575642	2844440	5662	2183470	3077696	868005	2685698	1895910	2600526	2155674	2375148	760955	2953144	1703016	2237506	3029676	2531014	2674528	3803394	1650086	2403690	21444	2877366	2784916	1727162	2242488	2295882	2890530	2056544	3374192	800247	2655794	1772120	8681	2355052	2420912	Lipid	0.3888889	1.3333334	0.0
12	C18 H24 O7	353.1595	353.16	-0.007105959	353.1595	1515440	1698698	1628108	1600370	822778	696512	1302218	1728068	1029760	1457478	1099148	1004672	893908	433746	1276702	1101953	1518062	1151104	1503530	1999182	1721222	1661036	1460658	2062696	1149730	1518286	1347460	487160	1602982	1598642	1405220	874194	1609902	675347	1539724	1568130	1506420	636013	1780026	1253938	1483588	952442	18582	6713	6672	1458110	1427454	7124	1979256	1715530	1628858	1654076	913606	7331	1503528	913030	753132	1879604	1428800	708768	1034482	877238	1264012	535916	554496	1061168	890098	1685108	710960	1956958	1918246	682009	1468044	1635340	889929	1638258	4650	1159932	1559512	432398	1494138	1103786	1410598	955826	1053626	788836	780077	374087	980866	1877412	1402308	1599440	1866110	847864	1361546	13182	1636784	1647504	876250	957522	1004138	1675644	1059330	1876416	463576	1437660	901372	6333	1305386	1164658	Lipid	0.3888889	1.3333334	0.0
28	C15 H28 O7 S1	353.16284	353.16318	0.13095017	353.1629	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1768	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	932	0	0	0	0	0	0	0	1420	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21934	0	0	0	0	0	0	0	0	0	0	74389	44318	0	845	0	0	1032	0	0	0	0	0	0	0	0	0	2607	0	0	0	Organosulfur	0.46666667	1.8666667	0.0
4	C17 H24 O6 N2	353.17072	353.17136	0.002504331	353.17072	107549	111089	110278	101420	50961	54288	111064	144155	76516	94463	49169	77192	79639	34983	112589	122516	114238	80746	99103	112163	101702	143270	83501	114655	93486	24577	109157	45184	135580	118515	117092	141578	150062	99888	146908	148610	161493	95975	137295	98373	76835	50019	0	0	0	91327	82132	0	157626	120977	106389	86886	57669	0	116727	56391	49574	106032	75913	55459	115095	62144	71506	72268	43199	63206	53992	114806	30401	58100	46131	97028	120497	173058	105484	123743	0	88967	79543	53810	70235	47029	74353	43124	133842	87353	83068	51853	61238	88584	112792	144324	170620	60225	94703	621	97921	113605	58968	151599	170454	141533	83210	140318	55965	99102	96093	0	79897	87891	Lipid	0.3529412	1.4117647	0.11764706
18	C17 H24 O6 N2	353.17072	353.1711	-0.061294332	353.1707	127104	131014	131791	119166	96323	75280	107584	138896	77787	119531	115861	87069	87309	61272	109891	162438	152169	89643	134540	149150	133260	126272	112229	163553	97318	227183	104447	165141	120543	116720	120554	135395	151477	125195	126822	137208	143526	100613	165923	120412	150153	88488	3525	670	812	88799	96635	992	140870	123819	119074	117010	93387	763	85542	76792	68557	160659	91463	109816	128474	77190	85847	70769	67272	96098	90531	157984	184571	231346	303002	111956	93890	122472	138670	146489	783	86114	145819	98563	124146	78287	90081	89823	104300	77849	143039	89054	93657	187693	150786	147447	174904	81055	103773	1457	125934	131193	81620	91565	100412	147249	90887	130674	62674	122991	79860	658	122224	84017	Lipid	0.3529412	1.4117647	0.11764706
6	C17 H24 O6 N2	353.17072	353.17126	-0.043482576	353.1707	162272	168686	152440	155234	77374	72281	140206	194218	114049	175889	80913	97382	104531	39915	151204	206804	113330	115957	164982	185174	178435	241066	129345	220039	120876	35929	125467	79858	189455	159605	185975	208689	249704	167577	240509	177865	233449	118715	159632	141970	129783	80754	758	0	0	156172	131589	0	220051	149375	168266	166533	88566	0	138181	69798	62812	198112	122846	90398	199650	95366	104891	78242	48018	104850	97144	165418	40239	98085	84609	175812	168895	169723	102838	155543	0	105471	104352	66906	98495	75245	107408	75029	107787	69502	118388	97756	101161	205599	215510	321839	296617	98243	165797	0	166846	155431	62164	124409	135146	212893	104423	208159	81086	170017	87535	0	111124	130203	Lipid	0.3529412	1.4117647	0.11764706
2	C17 H24 O6 N2	353.17072	353.1714	-5.9893E-4	353.17072	59645	60985	44562	52129	29558	36768	66468	70156	33802	45165	34365	45711	42998	17843	54143	36924	57200	47089	50897	51348	73524	81260	50894	52998	37344	10517	43520	36150	80432	47418	64448	57756	93135	61913	74900	56451	74511	45191	67917	60659	52215	34989	0	0	0	43445	47422	0	60130	47712	50636	53356	37174	0	50498	20293	19753	59510	51809	37014	35959	29932	39338	44548	18831	42525	37565	77814	18424	31583	31518	58715	62044	57554	28048	49779	0	46294	45664	34909	40780	26226	37012	23623	24335	25938	45323	37529	37452	75483	58299	79586	98711	37850	36040	0	55932	60073	23348	20665	22990	56537	47106	70517	29515	58758	23659	0	39875	48659	Lipid	0.3529412	1.4117647	0.11764706
12	C22 H24 O4	353.17474	353.17514	-0.2316471	353.17465	14022	11704	12478	10466	2259	4331	11201	10919	4234	6900	5928	9824	0	2952	6496	14133	15283	2805	3625	11200	6979	12391	11440	14620	6966	9521	20052	0	7828	13240	9662	8900	9005	6542	5472	11762	7530	9415	15118	6217	9249	5014	1443	576	491	7399	14338	726	15388	13349	10846	8940	4887	269	2894	3823	5072	11485	7748	9256	0	4530	3270	4072	4380	4503	2760	16004	0	8949	11983	5930	10088	14923	16389	12121	431	6967	12621	0	13823	9749	8575	5990	5489	6315	13644	3740	3098	27759	11344	10020	10014	4511	12916	549	10864	12052	4842	7739	5657	12329	6653	15342	0	8224	3878	0	11744	4100	Phytochemical	0.18181819	1.0909091	0.0
20	C22 H24 O4	353.17474	353.17514	0.020190833	353.17474	165948	175406	164822	145743	142158	90968	108541	161136	114839	173519	155343	123309	136627	102565	138578	181032	177118	119444	172772	250602	225063	155704	126602	188915	120488	492243	117475	150864	143999	143472	119472	146564	177982	135559	193109	144121	165232	115042	187157	188047	237781	116406	4331	1498	1037	132240	161131	1863	152892	144299	173593	161391	117454	1067	92929	104513	95007	175968	94247	141562	164247	110524	119813	98379	79309	143782	120982	191230	382091	413860	585520	129359	141985	135677	170383	144549	833	105974	173611	134555	126880	97275	123500	147753	138991	96324	191323	122595	132474	207380	156407	147020	217745	114152	133581	2046	171872	161343	116312	133679	132786	180088	114883	175621	93331	154562	118450	1590	135769	117951	Phytochemical	0.18181819	1.0909091	0.0
28	C22 H24 O4	353.17474	353.17514	0.035891134	353.17474	11560	9056	9623	9879	10681	6609	5572	11466	5940	8734	9535	4835	11091	8658	8230	13238	7261	8673	14602	12652	13031	10532	6104	9859	8118	24014	4689	8796	8517	7724	10537	8410	10669	6884	12996	10233	9163	4840	9484	8190	12106	8194	1327	0	0	7736	6976	1152	10106	7821	8617	8493	11377	0	7387	8739	4038	11251	4505	5394	11753	7013	9486	6759	4619	14073	10989	10047	22880	19887	31455	7797	6980	8656	3810	7923	0	4734	7613	9441	8146	7854	7572	8540	10846	3168	12589	6452	8746	9586	8367	9855	15396	8058	7637	1364	9180	7534	5542	10661	16768	13387	6013	8441	4885	9974	7270	0	6460	6195	Phytochemical	0.18181819	1.0909091	0.0
26	C19 H28 O4 S1	353.1781	353.17847	0.109738186	353.17813	5943	6777	6986	6166	7853	4390	0	0	8583	10503	9890	0	4300	2326	0	0	0	0	0	17318	17832	17274	0	0	0	13259	0	15887	0	0	2506	0	3701	3975	15186	0	4772	0	3221	15005	16102	7145	0	0	0	14151	10374	0	2691	0	8148	8003	3634	0	0	0	0	6800	10290	9414	5107	14314	2769	0	0	8223	7141	5751	7258	12305	11035	0	0	0	0	0	0	0	0	13075	0	13925	12979	12913	0	0	5695	2834	3758	8110	37862	47848	7801	15146	22131	0	6587	6277	6694	2906	0	4539	0	13334	10253	2963	4509	0	4202	3663	Organosulfur	0.21052632	1.4736842	0.0
12	C15 H28 O9	353.1806	353.18085	0.004637774	353.1806	5399	9538	6828	6694	0	0	0	1426	0	1627	0	1719	0	3971	1851	0	0	1300	0	0	0	0	1819	0	1596	0	14062	0	2223	0	0	8847	2518	0	0	1352	0	0	0	0	0	0	6911	8121	3330	0	0	8389	6002	0	6406	0	0	2846	0	0	3773	0	0	0	0	0	2950	1821	3708	3711	0	0	0	0	0	1745	0	1840	1527	4611	3061	3343	0	0	1641	0	1762	0	0	0	1699	1946	2537	0	7268	4021	0	0	0	6688	0	0	0	2440	0	0	2815	0	51255	0	1511	7901	0	2340	Lipid	0.6	1.8666667	0.0
2	C16 H24 O5 N4	353.18195	353.18256	-0.1305331	353.18192	9686	11828	8504	9300	4146	0	8909	13018	3621	3999	4812	8420	5030	2731	9763	6107	14080	6112	7970	5963	8314	11538	10564	10832	6633	815	2201	10853	14697	8760	10270	12165	14689	11117	7110	10596	12474	10197	15489	6221	7377	4736	0	0	0	4501	4613	0	9932	8201	10091	9164	5509	0	7092	2122	3377	10972	4941	4190	6088	4260	6102	4472	4242	6337	7053	20103	0	2734	2305	11121	11365	11507	6682	9917	0	9049	10320	22222	8247	3035	4205	3417	3054	4357	10070	5884	5893	25743	23433	35905	23890	6350	3385	0	10138	9295	2633	1626	2287	9998	7753	8592	2861	13412	3449	0	8674	6237	Peptide	0.3125	1.5	0.25
20	C16 H29 O3 N2 S1 Na1	353.18692	353.1873	-0.12610824	353.1869	9342	9544	9754	8931	8514	5500	7964	9689	9638	11526	3267	3898	11100	3554	7917	9457	6113	10362	10170	13839	18446	11159	6125	11349	11127	9526	3597	4815	7723	8887	8189	7306	9099	8389	13476	6411	10498	6493	5214	6863	5577	5136	0	0	0	8381	5761	0	11539	6075	7039	6962	7531	0	9742	10199	4142	8289	4743	2537	10074	5699	5786	3111	2511	9301	6657	4157	7346	23715	12699	7919	6518	7143	4995	7223	0	5210	8271	4519	4909	3387	7128	0	6743	4446	7825	3150	4320	8724	24132	17152	29263	4273	11907	0	9417	7412	4823	7840	6586	7968	5926	10216	2998	15882	3816	0	4980	6992	Organosulfur	0.1875	1.8125	0.125
24	C19 H28 O6	353.19586	353.19626	0.04920107	353.1959	218969	208052	211311	216212	226964	222969	168526	205131	226010	270275	116064	102556	384351	183387	194544	198219	121108	355501	429030	335682	252617	207865	169596	204224	161808	136694	141418	146223	266081	201713	193153	246560	322323	217763	314455	252041	368608	142042	144717	195670	112208	150129	10916	4508	6988	160798	92498	3747	251499	152432	213444	207373	193800	6497	366756	221759	124846	245152	201255	73079	236474	140842	300538	231608	99062	314152	230540	133221	104802	264550	161091	193033	206389	204277	124639	193022	5600	154756	165998	103929	125850	101482	181331	137726	191160	144530	169010	121137	207570	138224	318230	341197	271050	118205	193526	7263	225987	226303	146664	215126	217333	293984	117218	252260	150486	190688	152436	4603	129596	314659	Lipid	0.31578946	1.4736842	0.0
10	C19 H28 O6	353.19586	353.19632	-0.11699327	353.19583	23278	21940	19511	17093	11566	7272	21226	29143	13583	10041	10450	19054	8747	8394	19409	32207	29021	11703	13643	13415	15459	22371	19584	20651	19284	11323	29609	11290	24250	27672	18648	24811	24259	11760	12617	27268	19540	20462	29305	9255	12464	11377	2133	1018	1371	15276	17268	1509	21311	24384	17684	14581	9789	1232	18964	12048	11385	28208	13741	18365	32406	7688	9755	12928	7486	10188	9930	30444	17016	11120	12966	15114	14683	28784	37753	24150	925	13060	29725	11355	23831	14193	22182	7058	19521	12159	28972	6877	11078	34446	22155	15647	31291	10893	15199	2277	19283	21252	11071	19787	23708	19291	13913	20169	0	22888	14798	1066	22756	9641	Lipid	0.31578946	1.4736842	0.0
18	C19 H28 O6	353.19586	353.1963	-0.028806202	353.19586	608164	559694	536592	508880	439402	381334	671684	642610	363532	434395	336843	398216	541984	336747	513694	768311	657056	581281	718491	570485	532641	439319	472425	629980	450102	445336	631208	337040	720426	620062	557733	691335	766171	606190	423279	680587	755267	418908	763366	353780	329074	462797	19866	3629	3002	361608	312993	3510	717602	510893	547736	565278	436844	5497	596865	483623	343587	764794	377319	344812	657049	248103	534372	461565	316050	575107	508121	761958	319471	465024	470246	492801	507768	644000	726296	679251	2333	378574	571642	328092	409835	291036	761273	542163	526143	421424	642057	413130	491082	621833	593689	612211	706200	278464	416440	7280	542904	554397	364833	596097	705184	801858	352522	570893	234355	525376	361320	3110	469185	447623	Lipid	0.31578946	1.4736842	0.0
22	C19 H28 O6	353.19586	353.19626	0.030439192	353.19586	627692	626303	590860	643866	555635	643960	570251	648351	614128	765434	366568	337893	689489	531716	605709	594991	420172	912573	882720	955684	796639	662706	505541	580073	595206	417793	493609	412131	817173	645481	616311	741956	944935	671244	786373	764743	997774	470709	436389	560151	335619	474475	24137	6760	4912	448188	319145	6105	763481	515159	638277	589712	537679	9399	930721	610076	387877	746137	532671	263316	654809	359574	734105	653110	316872	759606	640104	435236	315715	841841	452406	558565	584729	624315	433048	665591	4261	478163	481421	287383	369719	298272	593094	416035	514331	446690	555081	421504	654242	424353	890991	1011364	810810	335560	561444	11774	579848	638580	435719	636279	565641	920944	401250	717564	363199	574563	444697	7273	410470	764689	Lipid	0.31578946	1.4736842	0.0
20	C19 H28 O6	353.19586	353.19626	0.010962888	353.19586	785378	748284	762652	692599	670412	630859	841962	784731	676475	812219	421859	480696	876342	561161	732909	863940	694085	903923	1099578	1012845	930941	629650	555606	772422	601021	615647	816080	495665	982195	803643	660983	881873	1041327	812688	840855	851546	1083685	544707	715613	620961	467095	633271	26717	7501	4076	545488	405319	7123	891618	601984	754245	742637	650795	8457	907186	753730	464800	937764	594954	399654	812022	374374	817314	720183	396534	877989	717704	729436	439333	853920	623541	665440	791131	852121	831724	775076	2823	546527	660172	449151	479385	331050	948745	627339	661640	523572	732012	572899	703719	633543	917314	922629	877341	390453	540486	9862	783856	815518	530620	830302	948257	1087031	490798	850869	398697	687480	560326	8664	537676	814758	Lipid	0.31578946	1.4736842	0.0
10	C18 H28 O5 N2	353.2071	353.20758	-0.07816565	353.20706	16428	9789	10698	15898	6770	5476	10860	18285	5025	11062	5150	7974	6493	3450	11512	18656	13369	5865	13597	17247	15497	17899	13160	20880	15712	4459	9902	4873	16536	11019	12720	17663	22093	16732	16014	16412	21003	8372	16287	15879	8865	6950	0	0	0	15408	10879	0	20748	11783	13629	12459	6972	0	6275	2705	3455	23242	1968	4775	18811	5134	5680	4893	2807	9047	9263	17380	0	11269	5753	17555	14467	13732	11692	16165	0	10361	10554	8276	9789	4383	4734	8466	4027	3309	15298	7619	7356	19354	31109	15067	32422	9760	13810	0	11932	12938	2277	3396	4025	14891	11365	14533	0	14991	3085	0	11602	5893	Lipid	0.2777778	1.5555556	0.11111111
12	C18 H28 O5 N2	353.2071	353.20758	-0.08375589	353.20706	7377	5308	6840	9104	6045	3655	6060	10546	2476	5911	2628	4861	3435	3996	6468	10300	10579	6993	7155	14976	12474	12469	6564	10010	6531	4962	6114	0	7114	9058	10555	11318	15050	9711	9186	12233	10283	7947	15114	10339	3764	4377	0	0	0	8977	10021	0	12020	4099	9014	6712	3532	0	2029	3089	2676	16166	0	0	0	5069	2548	2349	1701	3400	5579	9718	0	4557	5875	8014	9572	8579	5858	8880	0	8295	6205	0	5123	0	3920	4397	1620	3103	12578	4997	6319	20909	16764	11428	21364	4184	10848	0	6144	6850	0	2164	2733	12144	4209	7742	0	14053	2601	0	7527	4072	Lipid	0.2777778	1.5555556	0.11111111
16	C18 H28 O5 N2	353.2071	353.2075	-0.11494924	353.20706	7451	7078	9921	11462	1788	6235	13550	18567	3177	7999	1928	5943	2469	4746	7083	18153	16609	4478	4091	5588	10876	11652	7254	14946	13499	2130	13472	3729	14445	17887	14559	15940	16930	17943	6583	11917	15956	5787	17249	7159	8139	5305	0	0	0	8976	4554	0	25565	13660	13272	8132	5197	0	3362	0	3096	20990	7605	10603	18729	3882	2564	2816	2630	5857	4679	17812	0	3533	4593	14220	11707	12974	20817	15764	0	9491	7121	6033	5556	4057	9909	4233	3029	3550	8134	10324	6474	0	22249	20396	0	7401	13143	0	10188	13532	1723	1557	0	23386	6494	15926	0	15367	3543	0	12447	5355	Lipid	0.2777778	1.5555556	0.11111111
18	C18 H28 O5 N2	353.2071	353.20746	-0.11812991	353.20706	16090	13200	10972	17590	10378	5464	15118	12730	3784	10814	0	8012	0	4600	6242	28774	23290	8438	7688	7554	7458	22670	8038	33888	15362	0	7322	5700	16170	9888	16742	20794	38238	17516	10184	12764	26988	11664	22928	9488	6902	5762	400	595	0	5860	11344	576	14756	14660	17292	7582	7424	500	4446	4000	6760	22664	10652	13394	26104	5154	3876	3244	2254	6482	9330	25180	0	0	3088	20392	14744	17126	14586	15430	319	13078	14128	8482	7758	6092	12994	7640	2826	7110	14862	14332	10586	35608	35112	38436	43680	8036	10556	0	11936	13442	5054	0	4052	21612	7474	17134	0	32012	0	562	14678	6600	Lipid	0.2777778	1.5555556	0.11111111
2	C18 H28 O5 N2	353.2071	353.20773	-0.049994145	353.2071	8880	9718	8092	8745	6266	0	7551	14055	4341	6425	5024	6417	6486	2841	11431	9994	10761	5271	5798	9456	11915	11980	7761	11938	8367	3439	5136	3994	12349	9255	12086	9819	13766	9358	9012	11631	13083	8017	11754	8946	7020	0	0	0	0	7454	6924	0	11988	10811	8793	9563	5300	0	6585	3090	2766	12176	2359	2949	9675	4707	4896	5274	2657	5719	5592	12077	3370	6759	5311	8343	8315	10764	6371	8717	0	6493	8606	6874	6249	2384	3882	5256	3782	3670	8826	3176	4533	27855	16340	13465	22357	6330	8301	0	8954	9737	3628	3851	4550	9113	6296	10662	3476	9992	3311	0	8325	6080	Lipid	0.2777778	1.5555556	0.11111111
14	C18 H28 O5 N2	353.2071	353.20755	-0.077743076	353.20706	10707	8915	6505	9934	2541	3875	5438	9243	2080	2036	2537	4703	2218	3449	6134	11903	15990	3555	4842	8500	3448	11770	7871	9519	8965	3831	6505	0	6041	8733	10244	10154	11957	12033	7067	10763	11039	4782	14409	9392	8314	5594	0	0	0	5147	6052	0	12634	8821	10013	7800	2768	0	2178	2488	3957	11492	6514	9327	0	6599	2676	2976	2409	2580	6328	15854	0	2474	4343	7138	11804	6990	9338	8602	0	6213	7705	0	5588	3955	4223	4397	2185	2800	10201	6105	7365	23084	21221	15561	23192	4997	10494	0	6339	7005	1437	1243	0	15399	4163	16689	0	14850	1141	0	8000	4478	Lipid	0.2777778	1.5555556	0.11111111
4	C18 H28 O5 N2	353.2071	353.2077	-0.09146341	353.20706	12999	14136	14843	13193	8054	7621	9283	19913	7205	15122	4717	8557	8941	4960	12499	20346	11752	9438	11477	16416	14220	22421	11581	21020	15947	5365	8871	5934	16475	10476	14135	16931	19850	11908	18614	15022	16859	9068	15247	15161	9383	5984	0	0	0	16397	11117	0	17144	15149	13304	12946	8600	0	13916	4184	3473	20713	3800	2400	19369	7477	9047	7741	4079	10976	6872	14806	4995	13352	9876	14864	12206	14711	12825	12264	0	12204	11687	8107	9508	4390	7626	7344	5336	4354	14780	8179	7812	19498	30165	24286	34270	11916	16066	0	14683	16838	4639	4364	5602	12633	10278	22470	5619	14865	6017	0	10757	9936	Lipid	0.2777778	1.5555556	0.11111111
8	C18 H28 O5 N2	353.2071	353.2076	-0.067569844	353.20706	17716	18590	18613	20403	8366	7888	15294	20466	9671	21789	6482	10566	9535	5733	13843	24949	11390	10849	17440	26650	19746	27652	12449	30771	15665	6446	13110	7554	18590	18991	18243	22994	26606	19795	29377	18748	28656	12033	14042	23743	9436	8878	0	0	0	17372	10243	0	23938	15337	19242	19449	9146	0	16675	2972	4091	29044	2321	2746	23080	8463	12780	17015	3765	10638	12121	17441	4083	21093	11959	22594	20078	16799	14617	20096	0	12019	14326	9012	7183	4792	5653	11164	4885	6116	17901	9186	11628	33213	39188	36672	45129	11504	21834	0	18790	15072	4622	3979	5588	22708	11212	25483	0	23582	7106	0	13617	12167	Lipid	0.2777778	1.5555556	0.11111111
6	C18 H28 O5 N2	353.2071	353.20764	-0.08670516	353.20706	20648	24068	24578	23357	11638	11508	14281	29027	11993	28178	11495	12457	12412	6671	19888	34060	18115	14727	22488	32210	27603	30967	17804	31970	25546	7216	14326	13088	26883	21610	26090	30286	33082	22608	32233	24826	34132	17323	18407	22814	13659	11363	0	0	0	24898	15378	0	35863	25301	24271	21358	13291	0	19482	6291	5401	37545	3080	2918	34553	12050	12151	12324	5769	14082	14121	27783	6115	26684	11827	21539	22334	20540	17701	22059	0	14957	19214	7750	14162	4953	7687	10678	6227	8203	23109	12630	16273	36201	57182	36011	52637	0	23829	0	22357	21677	5281	6140	6731	32574	13155	33398	8292	28237	6852	0	17773	15995	Lipid	0.2777778	1.5555556	0.11111111
24	C23 H28 O3	353.21112	353.21152	0.03715866	353.21112	146389	160190	135847	140483	171877	92481	93643	149939	108909	138795	195657	99994	122524	108111	110013	196768	194924	129137	216902	185167	204788	123348	103422	151090	119506	496812	96170	174485	159339	161732	126345	160835	156933	136630	161054	171433	180435	106438	188634	152458	197969	107928	5521	0	0	95886	126182	0	169521	140108	157316	143482	149205	0	126501	130348	90696	171482	108636	110351	169174	96798	107559	95569	75224	124173	137620	198374	353993	301759	442399	111409	123494	151463	142193	157372	0	103302	144712	149400	110562	90389	102497	138752	144998	111375	170506	116128	140057	166360	139960	136778	167881	136979	151899	0	143961	153682	107842	139399	166107	201905	94766	172489	85934	143682	133169	0	129465	117052	Phytochemical	0.13043478	1.2173913	0.0
28	C23 H28 O3	353.21112	353.21152	0.011656523	353.21112	18698	15973	16276	17714	20404	10139	13557	17631	13875	9928	20945	9348	17919	11079	12300	16670	18567	15629	26682	19505	19702	15676	11618	18434	18557	51292	13450	23281	23487	21061	17397	19759	22583	16774	19416	21721	17126	11695	16553	13618	16817	15468	1643	1330	0	14806	9555	1636	14975	16199	16297	16592	20049	0	19050	22348	12631	21887	12792	8672	20670	11658	10589	12991	9431	27040	23836	18559	37991	23499	33152	11646	11222	23161	11322	19426	0	11323	19489	35070	12293	11129	16562	20054	25642	15074	24522	14564	15755	17337	15235	16542	21711	26464	15032	1368	15272	19957	14236	33291	35348	27245	13274	22825	14502	15308	20138	1372	15682	12306	Phytochemical	0.13043478	1.2173913	0.0
20	C23 H28 O3	353.21112	353.21152	-0.04349962	353.21112	60841	65721	63609	50389	59348	33222	64624	58128	44626	43185	58054	45685	38831	42937	49529	83892	127491	41668	69401	49712	58449	41652	46633	60050	47243	122038	66845	46125	62521	64966	47765	66061	66643	43474	52676	59530	67874	56812	112443	40818	78177	40251	1883	0	0	35898	43839	647	59979	59670	64840	65912	49284	474	54346	52956	41894	73370	32435	60781	60955	34878	38366	45945	38944	47586	41944	127619	86287	80526	141905	42293	44425	65090	100602	64330	0	40719	78679	47123	60139	29716	58391	54343	68927	51728	87309	45774	46924	116667	63464	57036	74473	41945	36093	0	59645	59831	55778	93135	89642	72160	50090	67407	27718	53908	61283	0	59303	38782	Phytochemical	0.13043478	1.2173913	0.0
16	C23 H28 O3	353.21112	353.21155	-0.05711077	353.2111	5413	5831	4099	9886	2704	2694	7039	6928	6959	2301	5385	6090	1771	3164	4118	6727	19147	6159	3290	4197	5922	5739	8880	7784	6098	3564	9143	3543	7652	7826	7624	8033	6639	2590	3213	8469	6912	5054	23934	0	8000	4167	0	0	0	2880	3144	0	9670	7121	7512	7217	5799	0	5324	8478	6899	9402	0	10620	0	1839	3538	5481	4201	4317	2467	22394	5851	4647	8354	3565	7522	7072	12063	9867	0	5377	13299	5217	8531	6353	8056	3951	9552	6040	12323	2920	4527	35610	0	5651	0	5841	4572	0	6481	6101	3924	10210	14768	7229	6403	8388	0	0	5836	0	12621	3352	Phytochemical	0.13043478	1.2173913	0.0
22	C23 H28 O3	353.21112	353.21152	-0.026526203	353.21112	110971	125727	94672	109098	126007	73558	98645	121426	95752	96403	119451	81762	67639	88855	100442	150964	207992	93112	123172	123586	137708	91006	85655	117960	99384	269803	102516	117403	126768	120628	101611	124200	137631	97389	106816	123575	120116	95262	187904	97177	149611	81038	4309	0	0	75702	97893	0	121267	116529	114005	106293	97205	511	92279	105203	80637	136595	74522	107646	119975	68592	75982	70576	65463	89176	104153	201215	209039	209665	304820	81572	88483	108833	145934	125048	0	83080	138869	97911	101208	65052	84790	87400	131853	93106	153951	90732	104835	165583	114507	107440	130880	88232	109392	0	101957	111993	95997	140457	122572	154066	83988	130373	60890	108621	103600	0	115493	79029	Phytochemical	0.13043478	1.2173913	0.0
18	C23 H28 O3	353.21112	353.21152	-0.037848435	353.21112	25791	24854	27932	20673	14392	12715	26595	22654	17725	15612	15449	21817	8418	12491	19099	29742	57122	10690	24765	20578	14800	17284	22508	25725	25412	34463	29578	18058	21020	25629	21995	22690	27790	15952	16310	23144	20385	18446	61168	13604	26230	15088	620	0	0	7203	16939	0	24630	21071	17716	25100	19430	0	14869	22249	18045	26066	14646	32653	21790	9266	12195	10282	17454	14422	12269	64902	25820	23791	43056	11684	13554	27228	41244	27388	0	14069	29599	17755	34660	15202	19288	12493	32980	20071	44647	18142	21537	60786	23616	19806	29320	12629	15480	0	28342	20805	24364	40091	38981	27224	17921	18984	5428	20186	23685	0	36210	15282	Phytochemical	0.13043478	1.2173913	0.0
16	C16 H32 O8	353.21698	353.21738	-0.04192055	353.21698	0	0	0	0	0	1529	1041	0	0	2364	0	0	0	2053	0	0	0	0	0	0	0	0	0	0	0	0	0	5388	0	0	0	0	0	0	1674	0	0	1154	0	0	0	0	3010	2143	1304	0	0	1599	0	0	0	0	0	2213	0	0	1083	0	8021	0	10363	1600	2491	0	9221	10664	11672	0	0	0	0	0	0	0	0	0	1657	0	0	0	0	1072	0	0	0	5077	0	1383	0	0	0	0	0	0	0	912	0	0	1170	0	0	0	0	0	74237	0	0	1697	0	0	Lipid	0.5	2.0	0.0
10	C16 H32 O8	353.21698	353.2177	0.40035436	353.21713	0	0	0	1729	0	0	0	0	0	0	1593	0	0	0	1831	2364	0	0	0	0	0	0	0	1338	958	0	0	4604	1541	0	0	1421	2341	1551	0	984	1964	884	1659	4019	1535	0	607	0	0	5552	1913	0	0	1299	2163	3269	0	0	0	0	0	0	0	0	38007	0	0	0	0	0	0	1470	20952	3920	0	1289	0	1768	0	0	0	731	0	0	0	0	0	0	0	0	1228	0	0	2068	3407	0	0	1007	1378	0	1426	1851	4968	0	0	3052	0	10867	15499	0	0	0	0	0	Lipid	0.5	2.0	0.0
14	C16 H32 O8	353.21698	353.21747	0.013524915	353.217	3166	0	3620	4039	3713	4181	4734	0	2745	2953	10087	5058	0	3789	2610	0	3795	1526	0	2397	1958	10285	1656	3905	2431	3030	2693	17519	1603	2538	2255	0	3017	0	0	0	1480	1790	7398	3478	8495	2196	8550	7768	4917	3854	5706	8169	1557	3009	4357	4178	3771	4803	1951	2435	2483	0	20982	14062	65875	6228	2148	2418	6706	1580	4740	0	0	3966	0	2403	2554	1880	0	1911	5097	3154	3158	15038	2570	3721	0	2436	1090	0	2092	3777	2567	8961	0	0	0	8064	2980	7002	2506	3165	3214	3578	1582	0	3936	2676	62593	2244	1748	8390	2259	2281	Lipid	0.5	2.0	0.0
12	C16 H32 O8	353.21698	353.21762	0.23876272	353.21707	14514	9768	13167	10823	0	0	11956	0	0	6798	8910	1782	0	0	0	0	0	0	0	0	0	28494	0	7703	0	0	6911	26817	0	0	0	0	0	0	0	0	0	0	0	2176	8016	0	1097	1355	845	0	14935	1346	0	2503	12625	10730	986	1266	0	0	0	5483	10657	23318	214411	3014	1390	0	0	0	0	0	39398	0	1907	0	0	0	0	0	710	0	0	26837	0	0	0	0	0	0	0	0	0	0	3831	0	0	0	1947	943	9789	7026	3684	0	0	0	0	7094	42020	0	0	1426	0	0	Lipid	0.5	2.0	0.0
20	C20 H32 O5	353.23224	353.23267	-0.021248441	353.23224	69313	68597	63410	65407	54381	42398	251645	73782	26843	15665	31565	43145	50511	60510	54982	102008	119904	47890	49258	20961	30881	38029	34197	62128	50520	66059	227915	35771	79834	63951	51444	87774	77632	70455	21373	84941	66658	47856	127482	9731	32660	42678	4958	0	272	28746	35564	1042	58316	67133	65006	74877	46823	1441	45138	45206	43007	84969	22912	51618	85507	12016	52504	35161	51760	74993	63630	128347	17369	15769	29325	37893	57974	75396	165036	57811	333	36779	59449	70807	40007	24627	280936	239810	64093	63696	104968	42166	51629	162269	82976	68937	76782	31250	26769	675	61276	71904	37929	59976	90297	90053	40727	45368	30085	68950	52491	0	73634	31410	Lipid	0.25	1.6	0.0
16	C20 H32 O5	353.23224	353.23264	-0.024503052	353.23224	8898	7342	5656	7423	6353	3644	12690	11236	2110	0	0	3735	3283	3846	4574	14794	19171	0	3494	0	0	2737	4499	3559	6934	2791	18179	2570	6802	8110	6458	6858	10868	6166	2130	12423	7296	4970	26437	0	0	0	0	0	0	2030	4629	0	7634	10334	6248	4232	2604	0	4883	4612	2630	12036	0	2247	13913	0	5897	2509	4639	5765	7405	18078	0	0	3632	2191	6380	11201	22428	7458	0	4133	13990	5106	4317	1897	12628	12610	12676	7111	17631	4004	5558	38866	8103	4576	0	3594	0	0	7106	7019	2862	10530	20115	12179	3426	4099	0	0	7607	0	11024	2809	Lipid	0.25	1.6	0.0
22	C20 H32 O5	353.23224	353.23267	-0.024354564	353.23224	123176	125080	122188	120641	107493	79472	589950	126979	74611	76127	73443	75002	87958	146875	98359	179139	186323	109746	119537	80050	75170	85279	72026	107272	107704	120987	553036	105188	152106	125183	97496	140675	153618	125304	72386	160187	135162	94685	194813	45534	74975	88035	19040	0	1575	74032	81954	0	136426	109655	132846	118856	102951	3052	97829	88618	71300	181202	61883	95513	165832	36966	135545	81118	113750	165451	173824	188132	38405	51309	73942	80373	107854	126398	168815	121115	1184	75807	99697	123195	62688	79362	407855	312817	109737	96153	161683	89039	100282	247255	208640	184678	132529	77744	81851	0	108197	122736	80638	113696	117666	185159	72263	115090	78311	126335	80518	0	115430	92110	Lipid	0.25	1.6	0.0
18	C20 H32 O5	353.23224	353.23267	-0.04462383	353.23224	31959	26954	22313	20967	17273	13755	69436	38423	5769	3454	7890	19305	12453	20919	14957	42327	61883	9933	15318	4407	5423	16775	13935	27484	28874	15674	57338	10582	22916	31043	23042	32198	27674	23919	4181	33876	21171	21144	69468	1793	7848	13510	1230	0	0	7100	9360	0	28638	20721	18476	23938	12401	0	12971	11901	13590	37463	5946	15505	33666	2421	12840	10283	16679	21301	22733	70390	5133	7494	4488	15258	21375	38598	73096	27685	0	12601	25502	25688	17662	11595	78421	73482	23619	18684	40991	10738	13765	81135	28534	26816	29646	7318	7313	0	23855	27384	15259	27641	30391	29580	15884	12585	5300	30297	15802	0	29009	10441	Lipid	0.25	1.6	0.0
24	C20 H32 O5	353.23224	353.2326	-0.003601513	353.23224	192408	176308	174086	176545	165942	129848	620237	157685	109069	138415	119641	83106	187214	231239	132921	236731	190457	189702	228995	157700	132411	138736	100532	133242	153265	105812	606466	205283	202500	162399	129359	232025	254218	175236	152506	229778	239950	129112	206664	112087	102576	113579	17738	0	0	106036	109026	0	215416	120853	169300	175543	153092	8984	192218	128193	101707	251228	145867	106703	229701	97777	199954	137459	147156	303758	289516	194940	49865	89211	72052	118984	160671	176504	161265	176187	0	99652	118454	196705	75221	127901	310335	252464	136844	119023	223723	108940	176147	260739	353078	302031	189937	106727	158351	5000	171982	172874	113899	132567	158291	304651	86100	180646	216248	172109	105321	2115	141977	134548	Lipid	0.25	1.6	0.0
28	C20 H32 O5	353.23224	353.23267	0.07346938	353.23227	7880	6596	7744	6303	6225	2969	21684	10417	5435	4857	6718	4076	6340	9418	9397	11023	10079	8616	11465	4729	4550	4281	6916	6955	10023	6097	16052	12120	12389	10609	9797	8209	12245	8052	4962	16113	10412	7050	11839	2892	2165	7330	1718	1506	0	5455	4198	1438	9648	8842	6201	6632	6038	0	8292	6139	5968	17782	10886	4439	12398	4819	6108	4414	6939	12996	13485	10084	3131	4421	4493	4218	6711	12654	5583	9115	0	6097	7415	12334	3835	10194	8849	7957	7989	8759	16893	4090	6536	12279	20610	20956	12598	6406	3925	1765	6688	7734	4107	8021	10751	13290	5725	8444	18398	11566	6592	1155	7776	3768	Lipid	0.25	1.6	0.0
10	C19 H32 O4 N2	353.24347	353.2439	0.016001033	353.2435	1465	3209	1837	2113	0	0	16753	21061	0	1713	3264	72954	0	0	56242	10262	3742	0	0	1240	0	1382	5485	6219	20244	0	3470	0	2905	4753	6822	5782	3825	2932	0	3886	3073	51257	3898	0	0	1509	0	0	0	0	0	0	5147	34506	2130	4140	747	0	0	0	0	11945	0	0	8541	0	0	0	2755	0	1901	4743	0	1907	0	3604	1433	3100	3247	3175	0	78664	1041	0	1837	0	0	943	0	1841	2145	1304	2504	11459	6738	0	4959	0	1492	0	1509	2396	0	0	0	4433	53139	0	0	7297	0	0	12902	0	Lipid	0.21052632	1.6842105	0.10526316
12	C19 H32 O4 N2	353.24347	353.24393	0.08751999	353.2435	5954	7068	3310	5349	0	0	40425	3288	0	0	0	11133	0	0	8195	8779	16690	2291	0	0	0	0	4031	3350	4305	0	17307	0	2178	5615	3579	7117	15577	4514	0	6715	10517	15778	23011	0	0	1334	0	0	0	2232	0	0	10950	4396	6840	4561	945	0	0	0	0	12423	0	0	0	0	0	0	1677	0	1243	16059	0	0	0	7247	4534	3843	3183	4590	0	12933	1342	0	7778	0	0	0	0	778	3714	992	3603	4212	2642	0	4085	0	0	0	7878	5950	0	0	0	10844	23495	0	0	6958	0	0	5811	0	Lipid	0.21052632	1.6842105	0.10526316
6	C19 H32 O4 N2	353.24347	353.24396	-0.040968128	353.24347	3821	3718	2796	3158	0	0	2146	4001	0	998	0	1266	0	0	875	6645	1301	0	0	1097	1019	8756	1321	5333	3785	0	1720	0	0	0	1178	1374	2434	971	918	1297	1147	1978	1173	0	0	775	0	0	0	0	0	0	1448	1043	4199	3249	0	0	0	0	0	9036	0	0	8399	0	0	0	528	0	605	1735	0	0	0	692	1244	0	2547	746	0	499	8033	0	0	0	0	0	0	0	15002	595	506	100648	15177	2767	36782	1441	4635	0	3969	3122	0	0	0	1201	1230	2452	0	6653	599	0	6154	0	Lipid	0.21052632	1.6842105	0.10526316
22	C24 H32 O2	353.2475	353.24786	-0.103237025	353.24747	10465	13158	10347	13682	8444	7431	20917	10027	11596	3472	7109	10194	3922	8594	10474	20784	53139	8030	14704	5787	5488	5090	9228	8390	8831	12323	24319	9868	9880	13347	10680	16146	17099	7557	4737	16848	10278	15048	45755	4771	7359	9887	0	0	0	1757	8809	0	12651	14190	9179	8117	13826	0	13085	13097	8995	16005	6582	15585	11163	2930	8614	7713	11866	4305	6882	60532	7824	11100	18112	3140	7590	15032	30582	14327	0	10592	18518	9541	12661	4689	9809	5799	19789	17343	29051	9114	13482	42634	8475	9872	11245	7653	6993	0	8475	12255	12035	21036	16621	19743	11359	9826	3533	10596	16589	0	19134	6022	Lipid	0.083333336	1.3333334	0.0
28	C24 H32 O2	353.2475	353.24796	0.04837607	353.24753	12815	16078	15832	14249	20765	6172	15027	17644	15355	3949	14888	6800	9300	7717	8783	20460	24364	12186	31601	9767	7161	10179	11248	13424	20584	31920	17527	17510	17616	16542	13666	18298	20510	10790	5659	24404	12674	11734	21642	8058	10499	14980	0	0	0	9276	7437	0	16007	16247	15810	13657	15115	0	18751	17867	9593	18148	9765	9156	15860	6468	6673	15361	11871	14056	16012	26086	25830	13014	14700	5821	9241	24076	14791	15276	0	9140	22525	20935	10886	13247	13852	11370	35252	17941	38448	10651	16668	32035	10322	11273	18845	14620	5919	0	13961	13902	10980	32521	38810	26829	10368	14185	12515	14772	26595	0	18665	6361	Lipid	0.083333336	1.3333334	0.0
26	C24 H32 O2	353.2475	353.24796	0.0678414	353.24753	39636	39322	40977	41481	47343	19713	37055	47087	36965	22131	37655	29027	27858	32345	40665	56093	93293	27702	74579	42722	27892	25423	32145	40224	46080	91453	43556	49216	53476	63493	42690	50322	49171	29691	27842	72892	41764	37801	88645	31699	39243	35503	0	0	0	25462	29568	0	43652	39291	47004	42645	43713	0	42161	51041	32282	56715	25589	31262	48753	22329	26745	30706	32385	31377	45347	104583	66352	41179	68925	21463	38095	54833	58626	53891	0	27620	66821	45810	34303	31600	37084	36583	75354	52791	98093	33753	44591	99944	35376	32170	55044	30417	27290	0	36296	52991	38268	68404	71445	70543	30447	56764	22964	37795	48884	0	54822	22314	Lipid	0.083333336	1.3333334	0.0
24	C24 H32 O2	353.2475	353.24786	-0.040145993	353.2475	31131	39310	28571	35370	34661	15490	36742	30927	32118	15353	27477	29601	18505	23314	31282	56225	94946	29737	45364	23281	23999	18666	27053	30395	36482	53422	42019	25319	33015	41670	30957	42975	45162	25666	18108	53918	34669	32167	98811	20773	34397	21067	0	0	0	15138	27013	0	34872	39691	32653	30169	33106	0	34150	35041	28396	44277	16277	33142	40455	17714	19825	22403	28262	21659	35252	102241	37009	31965	49341	19869	25607	42357	53550	40911	0	22847	49092	29092	34409	20099	26561	18903	47809	37730	72232	31609	38224	102286	27930	25775	36163	20899	20218	0	31097	37732	29305	48772	53667	55028	23856	40938	14086	33595	43999	0	41570	16773	Lipid	0.083333336	1.3333334	0.0
16	C17 H36 O7	353.2534	353.25378	-0.014405536	353.2534	2911	5954	5601	4734	4336	6339	0	8548	1416	2007	2628	0	3570	166342	0	6722	0	2657	0	8229	0	0	0	1530	0	0	1170	4824	1836	0	0	4183	3363	3053	4259	0	1915	0	1710	6856	4082	6393	11193	0	633	7493	5055	621	9943	2071	5843	6513	1985	3488	0	3207	3755	3483	0	0	0	1054	5243	0	85474	11173	24248	0	0	7749	1639	10354	0	0	2522	1465	0	0	0	13793	0	2192	0	0	0	0	0	7664	1885	0	16551	3899	0	3019	6434	900	4548	5466	1854	0	1713	3064	0	12664	21585	0	0	747	0	3343	Lipid	0.4117647	2.1176472	0.0
22	C21 H36 O4	353.26865	353.26904	-0.06535921	353.26862	9866	3991	5421	7750	0	1860	149604	1877	0	0	7072	1515	0	31138	0	2944	9867	0	0	0	0	0	1477	0	2993	17784	136052	16703	3339	2578	1688	0	0	2037	0	3104	0	1486	11806	0	6235	2243	0	0	331	1432	3852	0	3620	2620	7788	6472	0	346	0	2628	9039	3360	0	4088	6487	1324	10424	0	64802	2128	7690	8930	2212	2967	1977	0	0	8719	11146	4793	0	1266	1594	38918	0	5875	57328	73816	12620	25949	6591	0	1582	15243	15916	7917	3475	2703	0	0	7668	6496	4826	7216	40522	1452	1111	3397	0	2497	24267	0	2739	1772	Lipid	0.1904762	1.7142857	0.0
24	C21 H36 O4	353.26865	353.269	0.008765494	353.26865	38793	42136	35300	36059	10575	14132	918171	12921	1842	8234	29556	6414	4821	207823	8191	16817	30391	3961	11947	9110	5290	5998	5309	6043	11002	98393	938098	59890	13906	13088	7329	14605	11013	10831	6950	22162	9307	11268	43069	6531	40357	17826	8273	0	0	13108	22445	0	11363	14088	39008	32616	9389	0	4030	20674	40691	13725	8191	37415	57831	9591	76041	2436	222641	25726	44832	28009	17055	18520	35580	6539	13064	25291	18272	16449	0	6175	6873	66654	7141	35630	188569	233187	27255	34701	16413	12571	16219	28613	73000	42815	15259	10057	15260	0	39032	39754	30812	14740	88650	16799	4516	33155	17466	10551	54280	0	14391	15983	Lipid	0.1904762	1.7142857	0.0
28	C21 H36 O4	353.26865	353.26907	0.08849694	353.26868	13207	11496	13255	11625	8393	0	112022	11286	6944	7956	24115	7835	11295	23210	16690	11404	18465	8501	10690	8366	9829	6796	10713	8635	14947	21376	78733	46497	14145	14369	6352	7625	9440	6752	8296	14144	10490	16907	14759	7772	12006	11017	7470	4630	14445	9686	11055	5034	7754	11452	10715	9091	8323	14278	10719	12353	9412	10619	19678	11522	14807	12388	11580	7885	16126	12870	15982	15209	19517	7265	7482	7009	6011	17217	9740	9811	14049	7902	10383	36355	6910	16396	16822	17729	11528	9514	16718	8987	6590	8440	32460	27701	10853	15566	10983	4050	9876	15985	10452	7004	12974	14262	9212	15187	56267	8574	9197	7221	12400	5053	Lipid	0.1904762	1.7142857	0.0
26	C25 H36 O1	353.2839	353.2842	0.044161513	353.2839	3535	3695	4616	3758	0	0	4039	0	0	0	0	3890	0	0	0	7790	12663	0	0	0	0	0	0	0	7815	0	3522	0	5587	10127	3167	6797	1905	0	0	8549	2859	5477	13645	0	0	0	0	0	0	0	0	0	4885	7421	0	3116	0	0	0	0	0	7261	0	0	6355	0	0	0	0	0	2143	17433	0	0	0	0	0	6960	20302	6035	0	0	11201	0	3993	0	0	0	0	0	54539	0	0	149902	2169	2855	3971	0	0	0	3321	0	0	2304	0	5231	3245	0	0	2796	0	0	13649	0	Lipid	0.04	1.44	0.0
28	C25 H36 O1	353.2839	353.28433	0.109557725	353.28394	880	1516	1145	0	0	0	3708	2319	0	0	1235	800	0	0	2228	0	4359	0	0	0	0	0	0	0	4620	0	2557	0	2998	3458	1547	3171	1137	0	0	4725	863	2519	4604	0	0	0	0	0	0	0	0	0	2483	3268	0	0	1114	0	0	0	0	2880	0	0	0	0	0	0	0	0	1264	5139	0	0	0	0	900	2865	3267	2230	0	0	5640	0	1452	0	0	0	0	0	29745	0	0	29459	984	838	1969	936	0	0	1250	0	909	1853	3282	1938	1088	0	0	0	1472	0	4103	0	Lipid	0.04	1.44	0.0
24	C25 H36 O1	353.2839	353.28412	-0.08434689	353.28387	0	0	1046	1054	0	0	1241	0	0	0	0	977	0	0	1293	2109	9136	0	0	0	0	0	0	0	2221	0	4283	0	0	3980	0	1031	0	0	0	2699	0	2287	7791	0	0	0	0	0	0	0	0	0	1906	2525	1486	1672	1020	0	0	0	0	1085	0	0	1454	0	0	0	0	0	0	10411	0	0	0	0	0	1416	4689	1321	0	0	4962	0	2899	795	0	0	0	0	16700	0	0	74674	0	0	1593	0	0	0	1086	1518	0	0	0	0	0	0	0	0	0	0	5083	0	Lipid	0.04	1.44	0.0
26	C22 H40 O3	353.30502	353.3053	0.009860211	353.30502	5383	4647	5466	3899	0	0	109977	0	0	2411	16598	0	0	49462	0	0	0	0	0	0	0	0	0	0	0	16034	106930	19590	0	0	0	0	0	0	0	0	0	3368	2477	0	4933	0	0	0	0	0	0	0	0	0	4790	4862	0	0	0	8757	5315	0	0	10274	7670	4108	4940	0	90270	1826	3484	2729	13025	2742	3757	0	0	0	0	0	0	0	0	19817	2404	11788	9518	14794	0	0	2346	0	0	2305	3448	2539	0	5650	0	0	5332	0	12134	0	0	0	0	10660	6755	0	0	0	0	1767	Lipid	0.13636364	1.8181819	0.0
16	C15 H15 O7 N1 S1	354.0642	354.06473	0.18638644	354.06427	5429	5386	6278	9181	7913	7036	0	2652	5884	22095	12620	1298	11180	3037	1859	3966	2054	8342	11636	14432	12682	38907	3781	5158	3584	5470	1771	9324	0	0	1837	0	2819	1817	21320	0	4699	2023	4457	22914	27030	3472	0	0	0	7899	12727	0	0	1728	7288	2627	5102	0	7091	5186	3289	4339	4307	6420	0	16597	8183	7359	1937	7069	4667	3884	9252	12774	15805	1365	0	0	1699	0	0	1127	4610	19972	0	6430	4031	14356	4497	3225	6459	4654	4297	0	10428	19159	0	32630	39749	0	7214	6821	5922	3513	6433	3604	1543	4559	0	0	6631	0	1321	15090	Organosulfur	0.46666667	1.0	0.06666667
18	C15 H15 O7 N1 S1	354.0642	354.06467	0.021208232	354.0642	0	4699	5016	4680	6420	2485	0	0	4569	15157	6343	0	5103	2444	0	0	0	5261	4694	5241	5861	18625	0	2529	2964	2038	0	4696	0	1355	1549	0	3674	0	15124	0	1671	0	1420	15668	13441	2352	0	0	0	5733	6128	0	0	1893	5815	3067	4239	0	5006	7795	2071	4713	1876	2046	3102	8714	3482	3213	1101	6582	1791	2076	6045	3447	6262	1359	0	0	0	0	0	0	1728	13908	0	2022	2490	3595	3614	1845	3607	3490	1889	3348	9654	13779	5360	16580	26329	0	2712	3888	1895	3241	2884	3425	0	3719	2244	3680	3267	0	2826	8256	Organosulfur	0.46666667	1.0	0.06666667
14	C15 H15 O7 N1 S1	354.0642	354.0647	0.13197929	354.06424	6657	7176	10494	6103	6426	6592	0	2495	7574	28711	8791	2077	13735	3639	2476	5361	0	9696	9261	6970	20997	36094	2333	3879	3361	5689	2735	9041	0	0	1622	0	5228	0	30238	0	6863	2832	3961	28728	34967	4874	0	0	0	6396	10923	0	2693	1535	7619	5313	6789	0	10809	4751	3683	4001	0	8214	0	23035	12389	6032	3817	8486	3750	4324	13183	15453	18882	0	0	0	2768	1446	0	1549	5580	16752	2214	9403	4205	16395	5614	2655	4807	4925	5622	4877	9643	20263	8334	33374	32594	0	7239	7953	3373	7800	5826	3910	1269	5533	0	4005	4989	0	4223	12999	Organosulfur	0.46666667	1.0	0.06666667
12	C15 H15 O7 N1 S1	354.0642	354.06476	0.2074766	354.06427	5411	6220	6399	6735	6759	2500	0	1749	6890	20671	11898	1393	8585	2797	1662	2588	2822	10975	7149	7379	14237	28414	1455	2662	0	4795	0	0	1982	0	1700	1685	2778	0	21842	1204	1759	1029	2509	16836	28369	5200	0	0	0	8850	8564	0	1522	0	6753	5019	4604	0	6389	5402	1281	4050	6757	7578	0	16985	8458	3927	1743	5404	2853	0	0	11759	18870	1431	1205	0	1975	1738	0	1201	4613	0	3169	6671	3796	7810	3612	2255	4696	4553	3550	6585	8504	17560	7625	28031	29742	0	6205	4674	2615	3728	3875	2991	0	2974	0	4674	4175	0	2324	13200	Organosulfur	0.46666667	1.0	0.06666667
6	C19 H15 O4 N1 S1	354.07947	354.07986	-0.7222631	354.0792	2293	2849	3344	3414	0	23380	4492	1933	561	0	0	2111	630	0	2671	15367	29947	0	0	0	0	0	0	0	695	0	39600	21743	1315	1869	0	1944	841	0	0	1345	1350	3048	46483	0	0	1144	0	0	0	0	0	0	1625	1776	5053	3191	0	0	0	469	0	2143	0	0	2927	0	0	0	1688	0	0	6068	0	0	0	766	656	1148	7155	741	0	2376	0	4272	0	0	0	0	722	0	2080	1273	669	1239	0	0	0	0	0	0	3474	3669	3303	0	0	1458	4030	0	0	1325	0	0	733	796	Organosulfur	0.21052632	0.7894737	0.05263158
20	C15 H15 O9 N1	354.08197	354.08243	0.122845344	354.082	5744	4022	5380	3775	9556	8339	2782	1688	8325	4522	1458	4143	21382	4792	4920	2339	2553	13360	13290	0	4566	10263	4345	3855	1949	0	2127	0	2284	0	2648	1351	3292	0	8733	0	2274	3556	3627	4943	7665	5912	651	638	783	2820	5396	1327	1961	2245	5420	4655	6065	847	17492	11168	6195	4157	1237	2311	0	7876	18946	14614	4183	10326	7627	1964	0	0	0	1797	2060	1491	1901	0	497	2765	4351	7274	2442	2458	0	0	16791	6264	7029	5199	7797	2581	0	3035	8109	9350	6748	632	4018	2745	5345	7665	8014	5099	2202	1673	4816	3579	6323	590	2387	21164	Phytochemical	0.6	1.0	0.06666667
16	C15 H15 O9 N1	354.08197	354.08246	0.10473098	354.082	33573	36705	35077	34572	43552	37250	12353	17172	54734	60922	35357	20248	101863	26248	22261	19679	22570	95373	82831	27757	54855	81121	35364	19992	11061	1272	8462	8534	11220	8834	15738	13327	28706	11134	81635	10958	30616	22050	18077	33794	46084	28463	1782	382	499	16926	29072	779	17752	13078	37805	33396	39153	635	77535	44437	27319	19075	16248	20706	19784	32947	98885	73869	17894	71599	38142	17315	11570	4591	7708	14069	9673	7661	20241	13342	568	18089	29349	50139	17066	14508	6090	8172	55801	25853	23266	32431	33202	0	9004	27288	43859	73794	64176	750	34639	33122	27891	38809	50786	24291	14573	13031	20549	29294	38801	613	11585	119596	Phytochemical	0.6	1.0	0.06666667
14	C15 H15 O9 N1	354.08197	354.0825	0.11960671	354.082	48958	57331	46472	56834	70685	55839	15234	22388	81410	89168	71097	31663	136027	31229	31831	32838	33711	116966	96940	56270	109127	151979	42553	32696	12174	5321	16617	16362	19473	20199	20293	23297	48893	19472	134479	21112	40573	22786	35666	57805	93046	46702	0	0	440	35459	76495	774	22466	23533	45807	47203	57669	515	104198	63271	35630	36962	31118	38872	30411	71134	156010	127644	35402	95671	53205	42479	25665	11034	27246	23399	16530	15045	26473	14483	330	26025	37715	78664	27483	29102	9663	15086	77615	34281	45053	49862	52972	54819	22498	39721	68007	143377	83302	620	52263	50419	46085	67159	71078	44256	29316	28634	22214	45148	52139	0	18454	167326	Phytochemical	0.6	1.0	0.06666667
18	C15 H15 O9 N1	354.08197	354.08243	0.103160284	354.082	11304	12259	11320	12081	21891	16060	3991	7115	24223	14003	9491	6752	55757	13550	10245	8896	12961	38577	32522	7337	16385	27282	10879	9911	5977	2372	3465	4624	4296	3947	6629	3474	14391	6116	21527	6817	12026	6648	7703	9064	16041	12946	997	0	710	5420	12680	961	6660	3327	11663	11460	22726	456	37850	26244	12538	13583	5982	7549	10062	10716	42774	36054	11807	26801	19641	5544	2975	2729	1994	4500	3008	5638	6206	6505	414	5756	10558	22856	10049	7226	2005	1783	25674	19465	11202	15447	14334	11148	5783	8038	19789	29782	23469	547	13521	17513	17220	23342	20036	13507	6049	7990	9245	11520	17842	428	4542	54650	Phytochemical	0.6	1.0	0.06666667
8	C15 H15 O9 N1	354.08197	354.08255	0.112203345	354.082	40187	39535	29022	41215	45920	19582	10421	16221	57252	49328	62079	19361	87070	13203	13876	26390	25622	53153	54672	34379	73236	73211	25780	18762	4513	3039	12004	9304	13439	13457	12496	17022	25463	15602	68504	11569	22772	13194	25933	42691	93994	29771	457	0	0	23382	45903	0	17713	14857	38175	35791	33590	0	75448	54381	24884	14610	15737	28534	25403	38647	128585	87177	24047	56003	31745	28402	11949	7121	23198	14526	15060	8341	17624	14369	0	11628	22788	25318	12758	12836	6668	9733	53876	16596	20707	36082	35369	34227	0	21760	29847	74764	54565	0	34729	40012	45408	68856	54090	25907	19095	18117	20671	23713	41121	0	8114	111646	Phytochemical	0.6	1.0	0.06666667
8	C14 H15 O8 N3	354.0932	354.09378	0.08969126	354.09323	6991	7184	5688	8549	7842	4472	1999	3292	12060	13241	12450	5377	13110	3126	3802	5508	7170	9516	11159	8003	13480	13708	8597	4906	1430	10084	882	2821	1483	1866	3956	1629	6056	2253	16841	3056	5925	2645	9526	5828	17061	6096	0	0	0	6604	11965	0	3185	2470	8032	6274	7023	0	12599	7961	4968	4257	3258	5229	4254	5910	20439	11471	4738	14039	5251	5542	15937	13821	28136	1632	3729	1388	5800	1521	0	3558	5453	4000	4960	2971	2066	3033	11207	0	9956	7300	7104	11266	0	0	13221	9472	8008	0	7930	6061	7358	10663	10231	7862	3553	2733	0	8404	6267	0	3096	21778	Peptide	0.5714286	1.0714285	0.21428572
22	C19 H15 O6 N1	354.0972	354.09766	0.04463676	354.09723	3929	5719	6455	5731	3313	1684	0	1746	4207	12479	16927	1889	1958	0	1736	1712	2469	6061	7069	9117	13710	20903	1872	4964	4225	12911	1746	6928	1511	1281	1859	0	2777	0	14288	2236	3051	3146	3453	12182	27403	3262	0	0	0	8225	20461	0	3414	2497	4834	6874	3468	0	1521	4630	2631	2958	2028	4890	2563	8929	3630	3340	2942	4697	4253	3206	21867	16601	34662	2984	0	0	1149	0	560	2336	5974	22616	3572	12953	3610	9178	4462	3277	6196	4951	6168	6558	3532	6674	7216	33923	20129	0	9113	6888	1942	2913	3650	2641	1108	3523	8579	1930	2074	0	4246	1944	Phytochemical	0.31578946	0.7894737	0.05263158
20	C19 H15 O6 N1	354.0972	354.09766	0.16592763	354.09726	12929	14982	11838	8888	9787	5025	3879	3316	10050	33916	33144	2485	11401	6699	3356	6442	5832	6326	10152	14708	24719	22689	5714	6159	3447	37808	5123	18404	2082	0	2140	2531	7415	3458	35396	2318	3812	2400	3425	28652	38699	7577	698	0	0	18642	36272	742	3549	2272	9639	12279	10528	0	8893	8009	5803	3913	3681	11544	6324	15893	12903	10726	4794	7556	8429	4902	52539	39035	68957	2941	1645	0	2993	1656	0	2742	10978	35830	8173	16099	4726	15276	8915	4740	11810	10782	8136	14138	8154	7280	6138	39837	27699	0	12911	14711	9664	12871	9178	8501	2183	7044	14455	7295	10293	0	4452	14689	Phytochemical	0.31578946	0.7894737	0.05263158
14	C19 H15 O6 N1	354.0972	354.09775	0.16045703	354.09726	8680	8152	7951	7550	5997	4706	2933	2058	9627	27041	19963	1967	8426	9177	2112	4471	4815	4219	9934	17421	29607	16606	2751	2955	2611	58414	2341	23581	0	1390	0	0	4865	2107	34429	0	4857	2428	5311	17399	37142	4584	0	0	0	10053	19666	0	2769	2724	8298	6585	5989	0	4820	4914	2934	1604	0	0	0	11980	10726	7291	3418	5712	3934	4231	57517	66534	91569	1611	1641	0	1771	1348	0	1159	7693	16435	5367	9759	3378	14804	10988	3436	5320	3894	4299	7252	9569	5514	5294	34429	22418	0	5336	9009	5059	9848	8094	3035	2806	4187	0	3958	5691	0	2250	8613	Phytochemical	0.31578946	0.7894737	0.05263158
16	C19 H15 O6 N1	354.0972	354.09772	0.14204906	354.09726	12167	10604	13007	11763	9057	6070	3391	3430	9112	38116	39750	2904	10447	4507	2585	5852	4236	11920	13023	21963	36981	29743	5439	8475	4097	62917	2935	28710	1551	2261	3918	0	8525	3477	35233	3365	4384	3686	5618	31809	46685	5564	449	0	0	15166	34196	0	2777	3404	8883	12605	5626	0	7240	6737	5692	4749	3393	9561	0	18442	11403	8808	4358	9640	5506	5818	65842	76329	120163	2230	1429	0	2327	1998	495	2904	6696	32678	6989	14920	5951	23046	10602	5169	9544	6392	4777	0	7762	11007	0	41323	43684	0	11109	15325	7429	10724	8779	3245	4438	5531	7798	0	8064	0	7178	11781	Phytochemical	0.31578946	0.7894737	0.05263158
10	C19 H15 O6 N1	354.0972	354.09772	0.101538	354.09726	12021	13353	7155	9538	16092	8309	1275	4188	17809	21934	18949	6480	19475	4463	3456	7134	8079	13105	18595	14762	22521	24873	10252	0	1585	28349	5317	9879	7543	5900	5059	4654	9250	5705	22309	3788	9202	6455	13463	16441	25118	10364	0	0	0	9663	14929	0	3966	3326	6408	11287	9775	0	22234	12099	7145	9246	0	9481	0	10163	29857	19900	9074	15938	9751	16027	31360	36225	60602	5832	2456	0	4338	1916	0	6664	7742	11249	11040	9378	3369	5507	15564	7976	11526	14454	7749	21709	0	9855	14874	23215	20078	0	12611	9445	11458	17161	12580	8090	4370	5152	0	11225	10654	0	4056	30420	Phytochemical	0.31578946	0.7894737	0.05263158
18	C19 H15 O6 N1	354.0972	354.0977	0.07328048	354.09723	10561	12085	9567	15454	10572	3835	4759	4207	8446	45487	38719	2800	8656	5832	3461	6662	5061	8341	10548	30184	37394	33201	4720	8587	3226	68178	4741	30831	0	3284	3504	2529	6129	0	39106	2738	6995	4737	9330	32347	48098	4159	839	0	0	18471	31283	483	4106	2114	12002	13286	8498	0	8847	7028	6154	4857	4281	8979	5504	27210	13075	9842	5410	11362	7128	5907	67921	64907	116101	0	1489	1215	2543	0	279	2992	8397	39321	6883	20669	5550	23311	14075	5332	10336	7226	8697	15646	11677	12426	11450	41985	44670	0	13027	13926	8266	9439	8450	7208	3433	4394	10548	5784	3637	0	6258	8921	Phytochemical	0.31578946	0.7894737	0.05263158
28	C20 H19 O3 N1 S1	354.11584	354.11627	0.37922966	354.11597	155691	199547	42948	149274	4637758	8051	0	0	1791	0	0	0	208609	719525	0	0	0	156818	522557	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9113	0	404633	0	0	0	0	0	0	0	0	82284	189443	355266	0	0	0	0	0	0	0	0	0	0	0	0	569998	2884	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6884772	1025013	0	0	0	0	0	0	0	40317	98593	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15	0.95	0.05
2	C16 H19 O8 N1	354.11835	354.11902	0.04913122	354.11835	8090	7137	7490	9182	12642	0	4159	7910	13957	8088	11067	8234	29470	5888	5150	1068	6958	15390	14523	7599	19830	16071	7274	6826	1457	2454	0	4826	7048	4004	7374	5841	10803	6567	16816	6845	8909	4695	8192	7952	13939	8553	264	295	352	4723	6759	0	6168	3584	5759	11181	11482	303	14093	12480	5694	8134	4606	6127	2436	4393	30115	19759	6763	23983	11391	8340	5350	5667	6092	6904	7868	4496	571	5579	355	5597	5959	4618	5192	2960	2822	2386	11194	4977	5283	12107	10668	9640	4017	6150	12127	9317	2328	457	11207	8364	8697	17671	13972	5488	6888	5944	4824	8088	8462	0	3099	61124	Phytochemical	0.5	1.1875	0.0625
4	C16 H19 O8 N1	354.11835	354.119	0.06392574	354.11838	25586	29162	24014	25131	22167	13694	7994	19983	28229	31031	33942	17615	48970	13613	12767	23400	30771	33010	35881	29973	37935	43126	18268	22456	6625	9548	11748	10009	15876	15620	17544	16321	25035	13920	46997	18347	25574	13889	33387	27022	44180	21542	1079	375	659	19997	36323	490	20350	19399	24803	19661	21156	703	37710	34466	16122	20565	16259	28366	22031	18816	107760	34526	17097	31991	19054	32296	21694	16020	22296	16047	15031	17317	8671	15130	442	12310	15670	10015	14704	14271	11027	9276	35055	17126	15009	21509	22100	29768	13373	16423	35260	26160	23212	1423	23732	27164	24086	37635	41065	26450	12412	25599	19429	21530	24713	504	9143	109830	Phytochemical	0.5	1.1875	0.0625
10	C15 H19 O7 N3	354.12958	354.13007	-0.07416485	354.12955	368222	344398	469125	307354	107206	197898	237370	284704	143269	691380	380784	196816	367627	13613	294602	416798	317985	342447	543145	465416	245413	464648	439386	414784	217586	317605	239213	222001	250376	312404	334692	369161	177951	341728	804516	351975	428438	368979	382808	401441	553725	150570	4940	0	0	349812	337884	0	403278	227914	507431	368140	223077	0	212815	232046	163685	576259	348120	188816	330862	268704	177615	274102	225508	146153	243896	536867	310141	420658	279853	386173	232926	317319	201784	312675	0	263478	324135	188177	172451	218498	244357	194528	225551	103513	285320	182867	27887	463150	244455	349786	529099	160227	335582	0	214768	366581	153404	175333	177098	540132	163145	252415	25379	507437	153864	0	248921	499293	Peptide	0.46666667	1.2666667	0.2
2	C15 H19 O7 N3	354.12958	354.13025	0.03738938	354.12958	18505	19243	14880	17666	18900	17466	8346	15685	24331	9156	15968	17647	32315	6804	14146	2818	21397	28093	28122	10677	22662	27543	18207	15163	5160	1300	0	10910	17310	8581	16001	13731	29737	13952	20444	13021	22503	13394	27007	12024	25780	16945	0	0	0	8886	16108	0	15587	10460	20797	17140	20707	0	26934	14820	11952	18599	9616	16949	5419	9753	42228	28604	16940	30180	19063	29319	4951	4777	7760	14760	15090	10278	1896	13870	0	11349	16754	18517	13166	7125	7212	4234	19452	12321	15573	26999	23105	43723	14759	19455	39658	16655	1998	0	19967	19423	14988	19549	17793	15364	13929	10501	10425	24710	12951	0	10539	47523	Peptide	0.46666667	1.2666667	0.2
8	C15 H19 O7 N3	354.12958	354.13013	-0.021299915	354.12958	403947	438524	259921	145030	207712	155197	195781	429458	203419	488147	142338	173028	308861	82498	178242	360522	201480	197152	316154	490251	379174	195725	127735	485838	158825	98981	145360	158276	118851	338930	202607	215513	426124	169955	409669	119626	233820	165174	152159	430780	372759	86220	2427	882	1218	301743	468559	0	440002	368640	420616	227054	138944	0	147348	135697	149070	312568	274684	292340	296435	247442	247675	335861	97053	188311	140119	256404	231962	258109	332940	118075	282154	50922	93175	180858	1026	161107	246810	117117	191017	89675	152660	158207	105229	127793	118838	238816	89648	241496	147864	285836	476414	242297	280988	1746	414598	400917	170840	160626	28779	343793	147066	366304	84026	381499	95499	0	153064	237858	Peptide	0.46666667	1.2666667	0.2
4	C15 H19 O7 N3	354.12958	354.13022	0.03442895	354.12958	24216	28075	22346	21888	14042	11793	11468	24206	21067	16954	15507	20064	24816	7055	18429	27594	40611	25441	28169	18675	25988	40039	23939	26075	9082	2029	12008	6429	15198	17838	19599	19640	24753	18832	29388	17820	25185	19723	50649	22210	34235	16445	0	0	0	19272	33528	0	22681	20097	24992	19375	15711	0	28607	17777	14729	21392	20542	32009	25506	17827	33503	23780	20632	23209	15699	46698	7992	5895	8557	19242	16586	19344	11230	17331	0	13366	18566	13084	17969	12427	11083	8439	24262	16611	17018	24657	19742	40350	11987	19921	46724	19421	15327	0	18540	26996	17146	21695	19625	27162	17524	28641	20493	27942	16115	0	13760	38463	Peptide	0.46666667	1.2666667	0.2
14	C15 H19 O7 N3	354.12958	354.12994	-0.20366497	354.12952	7491	6397	4305	6606	4581	6673	6413	8074	7149	6401	4373	8867	5435	3729	5400	8635	7283	8174	9036	5459	4669	9531	8624	14960	7830	1856	4487	0	9131	4704	4936	0	11538	8802	8230	9845	13178	9637	10739	6011	0	5474	0	0	0	4422	0	0	9401	8378	5907	7005	8297	0	10000	2566	4542	11119	0	0	0	4310	5940	6757	5703	7753	6109	12562	0	4743	2546	7985	7876	9491	8249	3712	0	8130	8075	0	6877	4970	4059	2143	5958	4811	9739	8845	3926	13545	7199	12735	24205	3278	2932	0	6497	6684	4857	2199	2928	15514	7378	6873	0	12776	4654	0	7113	7925	Peptide	0.46666667	1.2666667	0.2
6	C15 H19 O7 N3	354.12958	354.13016	0.010452797	354.12958	60086	65139	54992	57088	32810	27229	32438	61224	50407	60375	45440	51382	47039	13243	51158	75600	66987	53790	65046	54652	74529	83994	62331	77535	28254	24929	33075	29322	47621	49850	60117	59673	75591	52027	71199	50587	67605	46007	83304	50986	78483	40182	0	0	0	51688	86872	0	68025	63610	64634	57381	36818	0	57915	24903	30085	61912	55473	65413	75471	45417	55294	49648	29305	46450	47486	84110	27226	39325	48927	53505	54768	48208	29534	39040	0	38116	42779	33114	37593	31016	31351	22706	39540	33349	41856	54575	49110	110435	29088	69363	115105	45100	51331	0	57524	55829	23440	25548	29725	73636	45700	76828	34130	66497	29217	0	35567	68583	Peptide	0.46666667	1.2666667	0.2
16	C20 H19 O5 N1	354.1336	354.13406	0.07915723	354.13364	12699	19721	13589	16121	7912	7282	7006	6203	7587	50124	43442	5538	10598	7402	4906	6206	9993	8936	9794	37343	47548	19196	6983	8650	6560	109251	3717	41981	4789	4534	5577	6937	7263	6553	44651	2081	9677	2725	14708	37015	58618	5153	0	0	0	20708	29963	0	6791	8334	13625	16966	6767	0	8496	4990	5234	7474	3987	14042	7799	24579	7915	6554	4710	11534	6048	15276	99939	126410	154412	4678	2324	2731	5624	6473	0	3319	12426	30190	8340	15517	6845	27794	9049	4947	11454	8160	8468	0	13848	12472	0	27921	35759	0	21393	16484	6454	4906	7418	8846	3632	9822	8701	0	5989	0	7453	7193	Phytochemical	0.25	0.95	0.05
22	C20 H19 O5 N1	354.1336	354.13403	0.048846934	354.1336	12082	10529	6592	9189	6216	5015	4245	3920	3954	25281	35620	2028	2709	0	2967	5361	2794	5707	4852	22563	24737	15672	3356	3755	4089	51610	1883	34698	3879	2236	3390	0	5886	3700	23055	3778	6882	3903	5103	26004	42664	4544	0	0	0	15839	28761	0	4746	3772	8672	10374	7232	0	4635	3445	2888	7120	1910	8872	5148	21027	5909	3256	3705	6528	6783	3810	56065	55278	83644	2987	3174	1868	1394	1044	0	2116	4459	23880	4012	13696	3558	20559	5105	5415	4345	5718	5631	7765	7978	10624	8487	19461	24035	0	7411	8852	4809	5675	5802	5527	2660	8424	14230	6237	6697	0	5081	2652	Phytochemical	0.25	0.95	0.05
24	C20 H19 O5 N1	354.1336	354.134	0.10308375	354.13364	1121	1800	2380	2618	2613	1094	1318	0	0	7337	11416	1085	1390	2496	0	1228	1451	0	1508	5872	7024	2843	0	2891	0	12552	0	11476	1403	1168	0	0	1373	0	4576	0	0	939	2214	8154	17922	2675	0	0	0	7986	12255	0	1148	0	3527	1237	0	0	0	1677	900	1729	1413	2359	0	5314	0	0	1590	1831	2163	0	21312	12779	33600	1376	1203	0	1227	2172	0	0	2257	8857	1525	4338	1714	6914	1938	0	2507	2590	1461	4402	2772	0	2464	5605	6378	0	2431	2854	2463	0	0	2845	1443	2370	2799	1146	0	0	2772	0	Phytochemical	0.25	0.95	0.05
14	C20 H19 O5 N1	354.1336	354.1341	0.05511715	354.1336	12529	13189	8296	12611	8807	6098	2423	5776	5936	25492	33418	3768	4343	4617	3051	6045	6248	9524	4524	39582	42502	15768	2272	9108	6667	84812	2842	34131	6008	3426	4704	0	6392	3563	34062	2820	3606	2507	8420	23454	43727	4880	0	0	0	14291	19688	0	5987	3206	12216	11174	3965	0	5683	4008	5027	5040	0	6860	0	18692	5662	4351	3584	4493	6976	10077	86311	94914	121677	1463	3045	2384	3436	5780	0	3615	8475	22140	5418	11433	2330	23390	5076	3670	11019	5990	4282	13543	10438	6854	12023	20429	22818	0	11019	9606	6820	4816	5081	5386	4873	6024	0	6061	5084	0	6563	5061	Phytochemical	0.25	0.95	0.05
18	C20 H19 O5 N1	354.1336	354.13403	0.070048496	354.13364	19553	20639	18278	23746	11032	7768	5346	7199	9285	51528	53319	5729	7826	11116	6505	13500	8646	12319	12263	49616	62823	21524	7850	16963	6112	122138	5308	54829	0	5776	4581	6555	10180	8221	53230	2374	12844	3915	10246	49293	61997	8076	711	0	0	24892	38670	0	9159	4958	20182	21002	6580	0	5496	7835	7094	13718	3815	14093	11822	27518	11439	6999	5367	11496	13374	11234	107117	134023	189603	6884	5386	0	5024	0	0	3260	10833	38851	10798	14648	8556	41064	10482	9534	11856	11237	8233	22356	21220	20542	19019	35951	41856	0	20123	14024	6411	10264	8652	6629	4981	15882	17324	10998	7513	0	7919	11734	Phytochemical	0.25	0.95	0.05
10	C17 H23 O7 N1	354.15472	354.1553	0.018718826	354.15472	410617	387218	394271	370601	217029	185714	271433	1023480	256001	572736	279700	302543	335879	113192	333764	483269	330233	380697	403742	769804	770398	1086672	363990	578076	303845	518486	279172	236498	440941	422746	375871	436849	506661	787744	726528	889770	491392	285048	378149	578946	523352	243828	9345	2102	2374	532731	460814	1700	458310	437024	392996	408940	232899	4028	391711	215500	143275	477661	445580	391931	517923	354099	271936	271635	130294	287735	220810	382996	519256	574921	533390	446888	423085	441438	327006	399741	1337	282201	323337	219094	302930	339969	356234	266561	258952	192955	279112	218907	241763	363635	678410	833814	1134902	304935	515229	4418	380691	454836	171553	174839	204185	936888	283716	592069	256181	383019	204685	2316	269348	358134	Lipid	0.4117647	1.3529412	0.05882353
8	C17 H23 O7 N1	354.15472	354.1553	-0.01754928	354.15472	462776	509114	375746	454374	120796	102744	290712	542066	147528	673406	167615	316812	216967	63082	178133	549826	397326	185773	489282	817410	827634	681072	382258	576910	263704	191555	316380	134773	506390	431284	422812	539180	519134	435774	874350	477570	271849	151424	225812	620770	639344	272256	3582	927	1796	293746	567602	950	545338	474596	451520	463920	130962	1429	233904	118274	89738	451526	434954	432024	256146	401244	199717	171712	73050	185160	256878	434194	203592	264752	298072	476218	455560	465500	308194	484544	965	320466	370954	272100	311606	172637	193110	154369	140730	102582	312548	253382	286224	462676	171859	260607	651334	368442	553180	2048	464746	450504	110421	141602	142769	544314	306396	684614	137903	443736	126742	861	287414	227595	Lipid	0.4117647	1.3529412	0.05882353
2	C17 H23 O7 N1	354.15472	354.15543	0.021043137	354.15472	38171	40737	35571	37820	58668	45156	25388	90486	33627	42432	37054	65726	105930	16487	55952	19782	90958	82066	82054	39529	145332	104306	64188	31236	14965	12329	12904	23575	99292	29839	85878	72718	123336	75888	68049	71360	48753	51686	104792	81506	49981	30110	833	508	1010	25381	66378	637	82576	30175	34293	39014	54860	566	70886	23247	17131	37980	46684	55924	21756	49706	97258	82976	14360	86946	65270	130236	23628	59604	40149	74690	80752	33210	14508	73310	846	60712	56426	21192	53218	18419	20189	14249	51154	17971	54242	63474	34009	86186	53832	71292	102488	68498	19601	1468	79216	38383	23670	62428	29728	39319	61970	69832	42254	86778	44810	546	38862	108760	Lipid	0.4117647	1.3529412	0.05882353
20	C17 H23 O7 N1	354.15472	354.15518	0.06444543	354.15475	177136	176880	180114	159428	185432	155058	97446	165396	181292	278292	154094	111794	316993	113124	137922	188362	130786	255932	244100	303366	321034	176116	165484	207732	132070	309934	76888	134832	164594	140248	113078	139616	181082	180868	269972	150458	204068	104386	120540	284624	233626	139550	13392	8078	6584	191820	202928	7960	167322	144800	175718	174552	154350	7078	239706	181874	104936	155982	127020	106886	177964	194754	206468	211256	92892	200240	131430	118186	323696	297258	337388	170346	148312	147768	127366	130964	7200	108048	162906	135304	114542	108146	100186	154834	198764	133212	143160	142246	122548	129730	165452	176440	183798	147170	161444	8546	181262	215622	136940	159516	183050	178706	102254	180972	117138	144206	167956	8972	126480	253852	Lipid	0.4117647	1.3529412	0.05882353
4	C17 H23 O7 N1	354.15472	354.1554	0.015677894	354.15472	100234	106354	100864	100594	64858	27434	24487	103390	80360	80382	44086	65138	170406	17986	68950	91518	49208	99876	111594	79709	188744	156044	86780	96802	43054	28804	24801	25659	43010	77742	85848	42752	109380	34413	106870	98076	98214	61262	130172	72886	160854	34167	1396	800	1159	54948	70501	1144	53344	91260	97340	84580	67566	1359	110822	39734	40712	93668	93054	111024	101966	44469	118524	90338	18301	104824	62300	106322	46211	49711	58004	81118	80794	88284	22897	74366	705	62334	64478	34923	59288	65546	67996	54396	85764	25335	58898	29009	66966	44190	103320	120752	59546	83784	61442	1579	93792	115600	29650	42768	39593	101882	61814	75480	37083	83346	30604	844	39752	73538	Lipid	0.4117647	1.3529412	0.05882353
6	C17 H23 O7 N1	354.15472	354.15527	-5.68412E-4	354.15472	131144	261696	241836	256830	141682	127032	142834	290154	89084	207094	104118	171380	244448	32102	98076	301492	190286	231522	135397	416196	489056	387406	93146	146281	112200	71203	133668	143754	255618	232598	245380	263870	309186	223296	527684	250454	286318	172358	250808	291070	378212	68653	1850	641	1223	288744	165350	774	291300	249706	257968	246598	149516	1547	244598	64255	86872	263450	226922	138088	270818	107263	234268	79181	77270	186514	80446	266226	99976	135632	163822	244776	235560	244226	122078	211554	1168	151462	78544	144424	76760	168624	177458	73379	69437	55597	146392	136500	163474	263066	108771	300634	324410	207444	311132	1415	253820	124057	46645	61601	75398	281716	156506	183606	83583	240944	110584	920	66081	302476	Lipid	0.4117647	1.3529412	0.05882353
2	C16 H23 O6 N3	354.16595	354.16663	-0.027397912	354.16595	50640	53424	42668	41676	26888	45059	29141	50631	32485	22372	21949	38712	35759	14888	36709	17323	54621	43831	44877	26785	41246	56729	40450	41600	19648	6164	8070	49670	51452	30122	48466	41533	69743	46220	38353	42375	57310	34282	66854	31570	36938	33884	0	0	0	23707	27396	0	46093	29542	47245	41870	32554	0	41653	16164	18512	51517	27461	27220	20689	18972	38246	35471	19904	42442	37294	79501	9660	16436	17116	43339	42906	33538	9035	37061	0	32823	40227	131217	34416	18139	21653	11907	24552	21559	41834	38817	35053	105302	82185	83443	98273	41517	11349	0	44993	46252	19053	19557	20604	40151	33903	39312	18285	61281	21192	0	34127	47751	Peptide	0.375	1.4375	0.1875
10	C21 H23 O4 N1	354.16998	354.17044	-0.17630899	354.16992	6107	3976	5050	3905	1760	3424	1070	4323	1677	24779	19262	1753	0	1956	1599	3415	5013	2249	3413	28638	22763	0	2904	5071	2918	53035	3002	18982	4401	3104	4500	4417	5062	4511	19454	2970	5650	2132	4754	13459	9711	2085	0	0	0	7407	9217	0	5646	3556	6241	5021	2396	0	1221	1140	1041	5412	0	0	0	4712	0	1247	0	2417	3359	7689	29353	51838	47503	3025	3113	1623	3572	3800	0	2928	2475	6928	3012	1294	0	10561	0	840	4716	3461	2720	11831	4078	0	6965	6453	20562	0	5162	6942	1376	0	1148	4516	2857	2440	0	4501	1041	0	2305	1195	Phytochemical	0.1904762	1.0952381	0.04761905
24	C21 H23 O4 N1	354.16998	354.1704	0.04127297	354.17	2824	4191	3924	3994	2541	2467	1422	3345	0	5602	13018	2716	2801	1322	2402	6340	3917	2678	3290	6202	8868	2901	2156	4466	1945	27901	0	14495	2190	3195	3627	3051	4486	4314	3151	2732	3179	1663	3410	10558	19576	2562	0	0	0	6436	9826	0	2493	4016	4020	4909	3300	0	3284	1580	1575	5011	1299	5497	3931	5768	2259	1823	1355	3196	5083	4350	26392	13770	27816	2985	3982	4466	1521	4297	0	2127	2384	7453	3819	4557	2347	9585	1248	0	4547	3775	3106	7544	5523	3633	5044	7175	4061	0	6650	4578	2416	1445	2441	5099	1170	4305	4441	4785	1775	0	2171	0	Phytochemical	0.1904762	1.0952381	0.04761905
16	C21 H23 O4 N1	354.16998	354.17038	-0.09010669	354.16995	8625	9025	5370	7071	3378	1984	4507	5515	1789	19907	25520	5002	0	2953	4716	6644	8457	2437	6881	27677	30516	6803	3358	6228	3255	61093	3115	20040	3717	3917	5816	3225	7083	4235	16359	4687	7111	3561	8453	16548	23795	4343	257	0	0	8247	11477	0	3958	4743	9437	8196	3464	0	0	2627	3937	5040	1403	6418	6571	9322	0	2309	1088	3848	5679	9039	37691	55072	70592	5052	5165	3912	8813	4628	0	2438	4544	12518	4047	5677	1631	14121	3755	2280	8065	4110	2822	0	6979	3140	0	7926	15006	0	6752	3569	1959	1314	0	4273	2323	5233	3292	0	1631	0	4330	1986	Phytochemical	0.1904762	1.0952381	0.04761905
12	C21 H23 O4 N1	354.16998	354.1704	-0.11418818	354.16995	6529	4554	6847	7431	2451	3790	0	2106	2024	26262	17673	2282	1415	2979	2281	4207	6850	2491	3513	27675	31854	5583	2987	3214	3483	55880	3196	22908	3429	3412	3080	3114	5481	3650	19179	3378	5519	2446	4309	14017	12721	3281	0	0	0	6119	10584	0	5075	4548	2941	7179	2864	0	0	0	1623	2362	0	0	0	5904	2358	1389	1570	2699	3926	0	33358	50758	63850	2280	2593	2929	1780	2965	0	2474	3015	0	2795	1758	956	12850	0	1500	4049	2705	1864	8658	5939	0	6818	4578	14767	0	8101	5126	2112	1084	0	2023	1671	0	0	4430	1341	0	2050	1886	Phytochemical	0.1904762	1.0952381	0.04761905
22	C21 H23 O4 N1	354.16998	354.1704	0.05721636	354.17	12899	15156	11088	11698	7604	5891	5204	8196	4708	19180	32832	5825	3570	6114	6015	12806	13232	5671	9647	24560	30385	15104	5451	16324	6252	74984	3414	38297	6923	9515	6129	8263	9792	8150	11940	9067	8368	5621	9908	28775	42893	9347	0	0	0	12013	29729	0	9509	8067	13460	19428	6388	306	3275	4259	6180	13680	5737	11354	13264	20565	2615	4051	3189	5122	13250	13654	58413	60767	86786	9974	9020	5567	9006	7460	0	4135	6568	18443	5602	13084	5932	24874	5321	4281	7119	9974	8509	25683	11164	10403	25451	13983	17565	0	9858	6282	3101	4460	2881	7024	4355	12234	9570	12733	3024	0	8297	2895	Phytochemical	0.1904762	1.0952381	0.04761905
8	C21 H23 O4 N1	354.16998	354.1705	-0.15712798	354.16992	2629	4242	3281	3420	2057	1421	0	2872	1188	12469	7931	1604	0	1790	2167	3755	3321	1122	2763	14828	16064	2187	1984	3856	2218	26473	1527	7697	3317	2213	2116	2208	3220	2678	12889	2552	3981	1980	4858	7439	4754	2016	0	0	0	4161	6711	0	5547	3206	2834	5194	1735	0	1178	0	1266	3379	0	0	0	2886	1005	1343	0	1752	1961	4520	18758	26801	33042	2312	2822	3117	2211	2368	0	1281	2309	5291	2145	1097	0	5215	1072	0	2816	1921	1382	7329	0	0	5181	4081	12023	0	4472	2063	1509	0	0	4122	1908	3045	0	3183	0	0	1854	0	Phytochemical	0.1904762	1.0952381	0.04761905
18	C21 H23 O4 N1	354.16998	354.1704	-0.041729387	354.16998	9304	11913	9294	10313	3356	5812	3241	8270	3008	22968	20213	5058	3215	6513	1690	8559	7058	3413	7244	17940	29194	8626	4646	10378	4854	57666	4755	30232	5866	6637	4800	4314	7521	0	16520	4907	9858	4061	7912	24421	47678	7608	0	0	0	8336	17089	0	11614	5570	13782	10485	4060	0	0	0	3648	6422	3104	10666	9064	13250	2916	1853	2546	2610	5396	12556	53252	47400	89278	5216	3663	2974	7235	5375	0	2467	6066	15871	7578	6194	4782	18960	2270	1875	10297	9065	7755	24020	14464	10614	16621	16242	15675	0	13345	8353	1908	3031	2176	9453	3690	8731	5434	7493	2395	0	8163	2749	Phytochemical	0.1904762	1.0952381	0.04761905
20	C21 H23 O4 N1	354.16998	354.1704	0.009038487	354.16998	14942	13834	15102	10013	5725	5190	4957	12454	5503	31129	35554	5738	4404	8329	6670	14388	10056	5645	6588	34463	33896	18917	6535	17621	6731	91719	4872	42985	7086	6559	5082	8716	10096	6437	24098	8407	9208	2695	13148	36454	57173	7751	0	0	0	17199	23683	0	7722	7539	17588	13569	6954	0	3345	4123	3808	10837	5989	13593	15057	23267	3204	3170	3493	4177	9666	9831	72739	71075	119325	9145	7245	5094	8285	7580	0	3725	8821	27380	5807	9439	9481	35927	3663	2763	16227	8267	8557	30921	16496	13686	18313	21019	16258	0	15742	14004	4664	4725	7796	10968	4128	17063	13292	15539	2670	0	8190	3317	Phytochemical	0.1904762	1.0952381	0.04761905
24	C18 H27 O4 N1 S1	354.17337	354.17374	0.061447367	354.17337	6625	6069	4490	6327	60475	19731	2439	1292	14661	0	3090	905	4316	0	2455	2451	0	52265	27685	1917	3542	2225	1372	2770	0	2000	2421	1351	2166	0	1456	1421	3162	13196	2100	0	4279	3504	0	2444	2126	1590	0	0	0	3370	3491	0	2967	2164	5934	7969	20461	0	46975	0	1679	2371	1641	1321	0	1921	24117	19076	1738	7004	2960	0	1922	3022	2615	23715	17818	0	0	0	0	1083	1893	3087	2442	2354	1432	1317	103927	10135	2065	1841	1840	0	4018	5965	0	3608	4128	0	7631	6283	0	6875	11127	4214	1340	2385	0	1910	61237	0	1178	67184	Organosulfur	0.22222222	1.5	0.055555556
0	C14 H27 O9 N1	354.17587	354.1766	0.062104877	354.17587	4536	3578	0	4522	18839	18455	0	7030	0	0	0	0	20648	18528	2387	0	3253	20228	5275	0	1922	0	3562	3953	0	0	0	0	10593	2444	5690	6285	15144	19563	2506	5049	8250	1920	3683	0	1167	6791	0	0	0	1453	0	0	5426	0	4536	4415	8142	0	2278	2762	0	0	698	647	3215	0	10379	3193	2454	17218	5467	4038	0	0	0	19711	17348	4902	0	3891	0	2678	2756	2499	1830	0	0	0	2251	1968	2904	7826	5616	3804	184931	83763	5427	0	0	0	5301	4960	0	1314	3031	0	0	0	0	6379	0	0	2305	26226	A-Sugar	0.64285713	1.9285715	0.071428575
2	C14 H27 O9 N1	354.17587	354.17664	-0.15873642	354.1758	5579	5645	0	4632	33634	0	4600	6146	1986	0	0	4421	23560	63651	5636	2163	6643	5617	7221	1927	2199	5570	5639	5032	2938	0	0	4819	5871	4824	6361	4335	6733	9241	2173	4189	6176	5496	8944	1484	2096	11504	0	0	0	2067	1337	0	5528	3972	4594	4852	0	0	3299	2074	2925	7493	1702	1875	2207	923	2829	4080	0	17092	20935	12629	0	690	0	8212	5550	5674	672	4727	0	4311	5739	37285	3816	1365	2033	740	13948	2278	7754	6714	3652	12790	9038	5151	13212	2653	2082	0	5876	3535	1886	2877	5495	4485	3691	3183	860	7413	9176	0	5296	7674	A-Sugar	0.64285713	1.9285715	0.071428575
24	C23 H24 O1 N1 Na1	354.18283	354.18317	0.64843696	354.18307	0	0	1081	0	0	0	1820	0	0	0	0	0	0	0	0	5064	20242	0	0	0	0	0	0	0	0	0	1114	0	0	0	0	0	0	0	0	0	0	1860	21157	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25318	0	0	0	0	0	0	78757	0	0	0	0	0	0	0	0	0	0	0	6667	0	0	3252	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6085	0	Phytochemical	0.04347826	1.0434783	0.04347826
12	C18 H27 O6 N1	354.1911	354.19162	-0.03340059	354.1911	141466	150965	168444	150592	73649	84775	116267	354166	68691	131168	86551	106640	93968	41881	140191	155181	215010	125396	157914	215411	254061	181332	156205	173332	133993	202384	74966	72791	2168486	247324	219462	248764	206327	273595	202012	274533	147839	115463	199240	157899	190318	134839	3227	805	997	184817	187272	716	1360409	166698	148907	149996	84789	1228	106475	76292	59507	183181	104310	165100	147291	100391	99623	80399	50756	102861	145369	216337	175144	225143	216857	298141	202524	166289	220488	399125	578	120697	143921	79428	132647	105333	117429	101638	92475	65883	134322	62682	153059	195097	139499	156112	214903	109302	121928	1777	152389	187780	71979	74677	97706	161277	107880	142224	78649	144545	77649	932	132234	96471	Lipid	0.33333334	1.5	0.055555556
2	C18 H27 O6 N1	354.1911	354.19177	-0.050579056	354.1911	87402	89940	78652	88200	21850	49512	73086	145318	29584	80614	46230	75564	33306	18794	171308	103236	88818	35454	48968	99820	123614	99238	70090	117780	61790	34172	47784	47502	137540	107284	115164	119720	131038	104318	111102	128950	109128	69594	108892	191548	94338	36616	932	0	958	71810	83466	0	118450	112086	83276	78862	32146	642	37556	16066	19672	130420	50288	52240	98744	57386	31232	31218	19490	36834	44914	123608	42644	66832	66274	112320	115834	149356	58130	111346	0	79008	68194	126314	64574	41784	53326	44848	20638	25648	55492	38688	51524	118158	204100	230444	140812	129580	81794	990	87944	88550	18590	18278	20740	96918	72806	269592	48236	93374	17344	616	61686	35060	Lipid	0.33333334	1.5	0.055555556
24	C18 H27 O6 N1	354.1911	354.1915	0.037967026	354.19113	25872	22876	30823	30509	35881	26197	10423	27738	30041	32066	17946	19619	55017	19076	23439	36949	22639	45147	45975	35670	42969	23717	29588	32490	15799	42858	10647	16785	56227	22924	18294	25063	26553	31795	29077	29606	29896	18421	23535	32859	39356	22680	2762	0	0	20603	24972	0	31795	22195	24815	29019	27319	0	42793	34596	16745	29038	17525	17743	39927	22386	35484	29786	13818	42822	22782	22457	40438	47699	65983	33507	28957	22268	26313	24635	0	17527	30278	17422	21760	13261	17598	18055	36637	19532	25685	18706	23372	26236	26858	27957	37818	12677	36213	0	28800	31193	23013	29615	32773	30399	15149	31851	17991	30985	24381	0	17090	41357	Lipid	0.33333334	1.5	0.055555556
6	C18 H27 O6 N1	354.1911	354.19168	-0.027227795	354.1911	189026	190604	176396	98609	36609	40879	53572	125665	42848	178159	56630	55506	58472	23543	70299	103296	55281	55799	75844	187490	166708	140517	64554	106278	56787	55157	47578	123402	127548	102966	116328	130682	141545	104007	239052	110877	131557	58013	75981	120071	82456	37638	842	327	354	106134	80157	0	138285	97039	205372	190218	40912	744	49912	26472	21814	110245	44297	38646	107866	59011	52228	38945	19398	52644	51672	76558	52986	139406	100834	104254	102227	118612	53997	99933	446	67108	46392	44160	45497	37842	46621	58394	27919	26349	52078	40292	53065	93402	275354	294368	262454	69260	111944	433	179078	93584	20081	26282	32648	115103	58497	151752	47441	89848	26804	362	46440	63750	Lipid	0.33333334	1.5	0.055555556
4	C18 H27 O6 N1	354.1911	354.19174	-0.022715488	354.1911	68181	66648	62596	62406	25079	27077	39915	93390	26997	93870	34718	42270	37653	16419	106732	71746	54030	35721	44527	112633	99671	98657	96410	157788	88160	36147	39939	32178	79125	67413	78164	82570	85511	64675	132305	88546	172906	91028	62173	82816	66101	29144	0	378	408	72143	65999	466	91416	75518	63018	54823	27818	427	36739	16900	15115	155648	37248	33770	77883	45481	34596	28165	15472	34023	33518	58834	34217	65857	52782	76304	69002	95427	47464	68384	0	115840	41144	39215	36539	33099	43554	39539	22337	19827	36972	26321	37369	116846	101997	207376	192656	49529	84906	785	62375	70434	16746	24033	22584	79976	43766	125634	38189	59233	16758	436	36491	38266	Lipid	0.33333334	1.5	0.055555556
14	C18 H27 O6 N1	354.1911	354.1916	-0.013928899	354.1911	288685	274914	254899	282807	158598	134104	196831	379160	154575	235581	142064	200659	223123	97321	244894	374842	381238	242434	282672	411306	447842	291263	275403	383343	227968	480312	177125	152343	819236	396727	282644	435392	334679	370624	296330	443311	267137	200507	338357	248603	309300	221898	6647	1047	1364	311938	345443	1123	895855	298213	252440	249839	160201	2549	222162	178527	101345	337144	202702	242888	312132	177390	191020	178025	111443	178672	179026	349937	349170	390164	379640	351380	273237	317290	395722	755728	916	215779	242011	196698	252829	193749	201115	160384	212275	140055	262872	173780	184114	356896	269777	235930	417947	179129	301243	2627	257004	320532	130065	192570	214447	356653	202592	347828	156168	250147	169165	1309	209895	162558	Lipid	0.33333334	1.5	0.055555556
10	C18 H27 O6 N1	354.1911	354.1916	-0.05021074	354.1911	113910	116804	116518	102685	51742	45029	73586	171637	48267	153917	66569	84123	64728	29299	88707	134795	102988	69893	96008	201622	180684	160510	97992	158391	86850	112713	71330	59909	187395	138922	111763	152477	146745	123272	184477	159321	141356	72706	109689	147228	109432	58210	2177	760	943	134848	112538	540	205474	136636	112784	112864	55545	1057	69436	38091	30435	154609	69631	85568	143351	69089	60646	48550	31685	66628	54643	123783	91243	167359	119335	133868	128558	136543	105295	166426	546	87465	95564	56610	91528	67738	75343	70453	50402	39873	81846	48365	60265	127485	123140	126838	165683	76491	121459	1573	124404	124074	34743	43248	49243	142870	75246	172752	59721	102222	41629	469	80814	67524	Lipid	0.33333334	1.5	0.055555556
10	C17 H27 O5 N3	354.20236	354.20282	-0.041699305	354.20233	9727	9118	11412	8829	4680	4159	8669	12769	2120	7850	5710	6949	3746	1531	7656	11825	11929	6357	8425	12367	9854	16318	7321	13607	11949	2860	8108	8941	17516	13740	13920	20627	23471	19223	9028	22099	15365	7154	16888	11826	5876	5240	0	0	0	9142	5709	0	20721	10410	10798	12467	3880	0	5096	1223	1572	13958	0	2621	14890	3583	3086	2000	3152	4945	4568	21634	0	7661	3035	11750	16924	16063	11388	15125	0	6761	7773	11080	5298	6669	3248	7214	4228	2006	8959	6558	5737	21076	30408	13952	24080	4906	6462	0	12503	12143	1991	1187	1313	17832	7341	19088	0	11563	1588	0	10672	5705	Peptide	0.29411766	1.5882353	0.1764706
8	C17 H27 O5 N3	354.20236	354.20288	-0.0594144	354.20233	15014	15645	13182	14263	4803	6013	10270	21517	7085	11934	19316	8496	6728	5060	16155	21221	10982	9095	14350	19664	15814	23575	13947	26346	14618	5157	10424	22562	15720	13147	17386	22006	19161	20182	21369	18169	23076	12195	14562	14888	7408	6591	0	0	0	17935	9391	0	20309	17646	15690	15955	5966	0	9265	2273	4986	19382	2411	2863	20510	5272	8365	6088	3467	6937	7722	14023	3762	19135	6750	15655	15337	14286	10692	15147	0	10951	10344	21408	6949	30963	4183	6875	5184	0	12974	5641	9099	23814	43196	29439	32477	11891	12879	0	14170	17763	4452	2457	2800	16180	8823	16369	0	19264	3716	0	13664	9407	Peptide	0.29411766	1.5882353	0.1764706
4	C17 H27 O5 N3	354.20236	354.20297	-0.062356293	354.20233	12183	10881	11149	11744	6242	8409	7738	14878	6052	8963	2301	7392	8378	4142	13315	17470	11250	10560	10551	13011	11132	17070	10022	14501	13862	2986	7329	0	11944	7743	10593	12957	18218	11497	14947	13338	17596	9279	11240	9228	6050	5948	0	0	0	12408	6488	0	13357	12847	11119	10579	7107	0	13036	3012	4305	17427	5758	2567	13675	6010	8316	6629	3232	7077	7621	10724	2470	8526	3408	10837	8693	13171	10397	8639	0	8671	9013	6362	8337	4383	5452	4852	5627	5521	10262	5081	7166	15082	28430	25823	33829	5536	11181	0	11519	10531	3966	2589	2937	15969	8399	14640	5888	14118	4887	0	7222	10343	Peptide	0.29411766	1.5882353	0.1764706
6	C17 H27 O5 N3	354.20236	354.2029	-0.08278367	354.20233	15188	17742	18132	13376	8017	6265	10738	20541	7530	12475	5415	8756	9709	5250	14189	21961	13051	7593	14460	16081	16875	21528	11604	27863	18059	5118	7934	9573	17232	16696	17855	22083	22222	17876	20368	18864	21451	10736	13027	15248	9930	8187	0	0	0	19687	10035	0	24228	17064	14501	15299	8001	0	10932	3303	5075	25193	4315	3834	22311	8168	9506	7020	3271	10116	9765	17276	5453	15777	8345	14515	14873	17217	9915	14604	0	10627	9858	15169	8345	5074	6074	9302	4626	6332	11880	9499	9733	23633	73722	37808	41458	10717	15895	0	16574	16006	5126	3791	2831	20141	9534	18772	7223	18802	6514	0	12010	12461	Peptide	0.29411766	1.5882353	0.1764706
14	C22 H27 O3 N1	354.20636	354.2068	-0.003325108	354.20636	0	2531	1693	3171	0	1774	0	1737	0	6183	6727	2544	0	1272	1907	3354	2040	0	0	5189	5861	0	0	3875	0	20353	1854	7009	3609	3728	4532	0	7978	2560	5458	2625	8787	1507	2869	1662	0	4122	0	0	0	0	0	0	3597	2054	1941	2131	1918	0	0	0	1221	2157	6787	0	0	0	0	0	1979	0	2985	6312	0	16311	10758	2066	3380	2842	3781	2448	0	1956	0	0	0	0	0	1883	0	0	0	1450	1806	0	0	0	4684	0	4950	0	2877	0	0	0	0	4031	2569	0	0	7643	0	0	0	0	Phytochemical	0.13636364	1.2272727	0.045454547
22	C22 H27 O3 N1	354.20636	354.20676	0.025192915	354.2064	4970	6230	6505	4062	2050	0	3720	4580	0	1794	10556	3637	0	0	3700	12881	10353	0	0	3901	4178	13415	1874	7513	5904	24132	2039	6262	6011	7053	3493	0	4808	7057	0	4657	6384	5071	9201	6441	10998	2308	0	0	0	4548	12518	0	3095	5102	5140	6412	1797	0	0	0	1524	12263	1520	12983	5356	4572	0	0	0	2549	4063	10811	18302	14839	19651	5843	3883	2285	8238	6104	0	3845	9176	12021	6906	4802	3888	7413	0	1472	9782	3763	3789	41497	9308	8476	18134	14218	11832	0	4938	7842	1615	0	0	7424	1330	7068	2870	13931	1311	0	13746	0	Phytochemical	0.13636364	1.2272727	0.045454547
28	C22 H27 O3 N1	354.20636	354.20673	0.09611766	354.2064	3596	2684	2917	3137	0	1027	0	15388	0	0	0	1124	0	0	0	8221	0	0	0	0	0	0	0	20400	0	0	0	0	24281	22734	14450	33183	10722	31505	0	21117	12028	0	868	4330	0	2737	0	0	0	0	0	0	18097	13848	3692	2593	0	0	0	0	0	5932	0	0	16244	0	0	0	0	840	982	0	0	0	0	32225	46622	39210	0	17466	0	2851	3249	0	0	0	0	0	0	0	4341	2431	3847	4697	1548	893	2330	0	0	0	2258	3327	0	1052	0	9250	1202	14069	0	8559	0	0	895	0	Phytochemical	0.13636364	1.2272727	0.045454547
12	C22 H27 O3 N1	354.20636	354.2068	-0.032707322	354.20636	0	2060	1519	1485	0	1060	0	2451	0	7281	10160	0	0	0	0	7987	0	0	0	13997	12775	0	0	4055	1996	20477	1517	0	2179	0	3055	2107	2557	2006	7256	1965	1460	0	0	2519	0	1205	0	0	0	0	0	0	2574	0	1746	2443	0	0	0	0	0	3354	0	0	0	0	0	0	0	0	0	0	0	19655	15260	1654	2273	1701	1275	2016	0	0	0	0	0	0	0	1639	0	0	0	0	0	11537	3360	0	11186	0	5766	0	2218	2167	0	0	0	1631	0	0	0	6176	0	0	0	0	Phytochemical	0.13636364	1.2272727	0.045454547
20	C22 H27 O3 N1	354.20636	354.20682	0.04266688	354.2064	3278	6071	3227	2818	0	0	2271	1898	0	3100	3044	1773	0	0	0	4546	5784	0	0	2741	3675	10555	1599	4439	3264	14040	1406	3496	2492	2272	0	2762	1707	2547	3256	1379	1688	1033	2402	2763	8174	1462	0	0	0	0	1782	0	2396	1458	3223	0	1037	0	0	0	0	7832	1611	3182	4733	1784	0	0	0	0	1762	6105	14169	10495	14262	0	1453	0	3645	2572	0	0	4262	9759	2216	2033	1379	0	0	1110	5373	3322	0	24056	10378	3527	11690	13571	12801	0	1900	2765	0	0	0	0	0	2929	1586	4873	0	0	4662	0	Phytochemical	0.13636364	1.2272727	0.045454547
24	C22 H27 O3 N1	354.20636	354.20673	0.022882003	354.2064	9168	7981	9062	6619	3490	1950	2898	6274	2157	3713	10944	5817	1536	2193	7231	14093	13492	0	2489	5101	3995	11200	2614	10685	8120	23841	2945	11488	8046	5726	9064	9522	6347	8352	4465	7772	6462	4351	13722	5085	10967	3925	0	0	0	6199	10281	0	7972	8162	6271	6832	2752	0	0	0	1624	11454	3395	11193	12703	4110	1413	0	1729	2104	4830	13976	20614	8883	14322	9596	6785	8233	9097	7488	0	3825	24340	19684	8329	5951	6074	7728	2507	0	30906	5098	3117	84531	11073	14223	24137	16455	12071	0	8055	6527	1496	1491	0	7979	3182	8967	3888	18843	2266	0	24095	1501	Phytochemical	0.13636364	1.2272727	0.045454547
26	C22 H27 O3 N1	354.20636	354.2067	0.1880812	354.20645	4508	6126	2482	4185	2115	0	0	0	0	0	6033	3324	0	2143	0	7307	0	0	4421	4647	0	3303	0	5857	0	8447	2676	8567	0	7483	4471	7262	3543	4164	1957	0	4889	3580	5348	3998	4712	0	0	0	0	0	0	0	2161	0	2491	3297	0	0	0	0	0	5240	0	5493	6559	2659	0	0	0	3085	3749	5785	11421	4206	4817	4842	6134	7721	0	4938	0	0	26905	12677	2380	3610	2899	4032	0	0	15084	0	2343	48413	6416	6813	13089	8117	5440	0	2125	5956	0	1862	0	4748	0	0	0	8351	0	0	12317	0	Phytochemical	0.13636364	1.2272727	0.045454547
18	C15 H31 O8 N1	354.21225	354.2127	0.16412367	354.2123	0	0	0	0	2220	0	0	0	0	0	0	0	0	1847	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7595	622	790	723	0	0	576	0	0	0	0	3053	991	2346	0	8341	0	0	0	0	0	0	6260	35369	13122	33400	0	0	0	0	0	0	0	0	0	960	0	0	0	0	0	0	0	2854	12636	0	0	1598	0	0	0	0	0	0	0	0	0	20346	0	0	0	0	0	0	0	1882	526	0	0	Lipid	0.53333336	2.0666666	0.06666667
12	C15 H31 O8 N1	354.21225	354.21274	-0.035423387	354.21222	0	0	0	0	0	0	0	0	0	0	0	0	0	932	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1164	897	604	0	0	1021	0	0	1517	0	927	1114	0	2083	1363	0	5519	0	0	0	0	0	7571	0	0	0	0	0	0	0	0	0	0	0	867	0	0	0	0	0	0	0	1483	2152	0	0	0	0	0	0	0	0	0	648	1845	0	0	1902	1561	0	0	0	86446	0	0	944	0	0	Lipid	0.53333336	2.0666666	0.06666667
8	C15 H31 O8 N1	354.21225	354.21326	-0.16058366	354.2122	0	0	0	0	0	0	0	0	0	0	2738	0	0	1437	0	0	0	0	0	0	0	0	0	1608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7196	0	0	1392	0	0	0	0	1158	0	0	0	0	0	0	0	0	0	0	0	0	4382	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	72472	0	0	0	0	0	Lipid	0.53333336	2.0666666	0.06666667
2	C15 H31 O8 N1	354.21225	354.21295	-0.09049236	354.21222	1599	1304	0	1185	1927	0	0	0	765	12363	7244	0	0	8272	0	0	0	0	607	0	0	630	0	0	0	0	0	47664	0	0	0	0	0	0	4123	0	0	0	0	0	0	9537	0	0	0	0	0	0	0	0	0	1220	3604	0	4476	532	5652	0	0	0	0	0	476	3011	2722	1586	25405	0	0	0	0	0	0	0	0	0	0	0	0	31049	0	0	0	0	2654	2560	0	0	997	0	58667	15815	0	8275	8100	0	1270	1681	0	0	391	0	0	0	1017	0	941	0	0	0	Lipid	0.53333336	2.0666666	0.06666667
14	C15 H31 O8 N1	354.21225	354.21277	-0.020267636	354.21225	2257	1791	1922	2088	1512	0	0	2809	0	0	1889	0	4332	2124	2361	4258	3345	7530	2374	1727	1761	0	1289	0	1493	1752	2239	0	0	1944	0	0	0	1305	0	1540	0	0	0	2682	0	3022	2989	2836	5114	3111	4479	2932	0	3956	0	3702	1991	7628	0	3181	3514	0	9294	0	0	6528	1730	1383	67206	3816	1494	2733	0	2092	0	0	1029	0	0	1065	5229	1532	0	0	0	1249	1350	1062	3747	18938	0	0	2033	0	3083	0	0	0	1610	2454	2390	4134	2009	1502	3639	0	1054	8025	322282	2007	2985	2358	1068	1469	Lipid	0.53333336	2.0666666	0.06666667
24	C19 H31 O5 N1	354.2275	354.22787	0.02163596	354.2275	72349	69396	62960	82481	87462	60233	36712	61250	65267	73667	46205	39564	111423	61455	51004	98275	71218	99505	125130	94791	96504	60833	48384	88753	52846	82146	38453	43366	72697	65422	42655	70189	81715	66135	75331	75374	92719	38405	73101	68216	69039	55207	2136	0	0	64983	59406	0	74305	54301	70391	62739	79450	0	105113	86820	50182	92382	49271	43226	88650	43953	72143	67455	33501	117362	79289	67701	62616	96215	105507	47961	64375	58909	62857	55895	0	39159	54943	51658	44462	35596	41206	46285	80076	50237	91212	48087	64122	102942	115780	114531	96461	46132	73806	0	69344	79543	65121	86508	100423	97461	35099	85923	38722	69506	70721	0	61516	74235	Lipid	0.2631579	1.6315789	0.05263158
8	C19 H31 O5 N1	354.2275	354.22803	-0.07822225	354.22748	43580	42371	35426	43169	6925	12720	31232	102669	4467	36176	16221	30962	6623	6372	30626	70301	31591	12738	16873	45325	37518	51155	21019	45058	38251	11510	34553	16340	71450	66206	84702	79319	71650	51349	51411	61499	81157	25157	39992	29038	10635	14605	0	0	0	27117	15967	0	103731	83442	42989	43008	12099	0	7192	1787	7846	69382	0	2262	67008	12205	7102	7013	5852	13189	18407	43021	8991	27623	20393	85789	51311	57374	38979	57385	0	33762	23521	16613	14957	3728	4633	16686	4286	5152	54820	20595	23636	74429	95648	51398	72242	22734	41365	0	39327	39271	4700	4376	3293	70967	28592	53224	6558	57879	2547	0	32535	9398	Lipid	0.2631579	1.6315789	0.05263158
22	C19 H31 O5 N1	354.2275	354.2279	0.032835428	354.2275	126954	126291	128061	125827	142841	100349	87451	118290	108095	111141	88128	84711	139847	95702	89206	207068	246794	163469	168896	157260	193117	119397	92408	138923	96212	153409	99047	90111	150279	134680	95428	140681	206197	143509	114926	160603	189861	74216	259574	105076	115177	105697	4494	0	0	99735	114883	0	129217	106876	135230	124972	113985	2625	140270	140713	79689	215139	73956	95685	193318	73085	117544	106418	65781	162924	119368	219583	141463	159711	156151	97988	110830	120793	152195	137842	789	76272	119905	99747	68668	56822	84255	75852	135003	105398	158315	103644	106411	236348	187154	177278	175369	88473	152897	0	119276	142938	96454	164627	176210	262682	68868	142894	85495	134514	121261	0	105566	132600	Lipid	0.2631579	1.6315789	0.05263158
2	C19 H31 O5 N1	354.2275	354.22815	-0.05542032	354.22748	13956	15282	11977	11476	866	0	16562	26095	822	7977	6528	22017	747	0	23220	20519	16914	1684	3061	12938	12282	17845	15560	16442	14402	2682	14387	6331	17304	18800	17544	20864	18076	13888	10252	19566	16040	19928	22543	9524	10972	4254	0	0	0	8667	8667	0	21175	18076	14043	12866	2570	0	1904	553	2657	23171	2835	3177	15539	5658	681	1590	3075	1329	5666	18933	4028	4231	4127	17039	17133	48517	18457	22851	0	22408	13746	8427	12639	4329	6613	7705	864	3412	12889	4000	5826	36374	19481	17272	31294	9560	17079	0	13908	13708	927	270	461	15867	20754	20678	4630	15852	609	0	11499	874	Lipid	0.2631579	1.6315789	0.05263158
20	C19 H31 O5 N1	354.2275	354.2279	0.008801319	354.2275	103511	90782	102523	86189	96869	74425	81692	104991	67996	86023	67891	73989	110294	63855	75543	145132	140357	119270	146950	117877	130130	86430	67986	103943	70510	144727	77463	70640	126274	110876	65021	102235	119636	121024	77488	120871	123795	59100	126426	79554	104481	90695	2920	0	0	76785	93100	0	118490	95538	96205	95549	82419	1981	104878	105848	52289	117364	55741	78300	120520	51109	84336	73728	47131	110454	85025	130190	117461	119288	144241	84428	109061	107907	151611	106531	402	56513	85938	89483	50454	43430	78750	69667	97848	66173	102921	82743	79503	136101	146578	111884	121637	71722	101927	1125	92343	106588	68983	118531	174340	160285	52858	122827	56292	92588	88232	0	67973	91922	Lipid	0.2631579	1.6315789	0.05263158
16	C19 H31 O5 N1	354.2275	354.22794	-0.029559454	354.22748	30820	24992	24970	21637	16769	16891	25370	32759	14402	13376	15712	21365	18978	11715	21351	39839	54116	20389	25676	24824	21896	19626	22824	32608	22668	23533	22267	11238	34706	36162	26816	37720	32954	32742	15603	43032	36848	19400	51899	14719	15273	22371	735	0	0	16490	23191	0	35327	32123	27996	31029	17907	493	14234	18823	10329	37122	8886	27707	39378	7176	15936	13686	10850	14279	15180	45866	29775	22987	33103	24809	34659	41774	58073	37994	0	14376	23905	20116	15922	11039	17248	12012	18454	15319	33032	14378	17805	66635	41356	24198	46497	12815	29551	0	27757	28892	14701	17128	27647	42515	13641	30813	6166	36126	20006	0	25478	15905	Lipid	0.2631579	1.6315789	0.05263158
4	C19 H31 O5 N1	354.2275	354.22812	-0.032592382	354.22748	24870	25215	27204	26578	3762	6484	19888	54699	2979	14941	9653	22655	1965	1987	19492	45558	43874	5565	8150	25353	22203	33646	16394	33125	21912	6102	25446	8375	36469	30794	34813	35979	35612	32753	26570	41183	32602	18360	45554	20640	19300	11147	0	0	0	18770	20923	0	52621	47840	24555	23066	6829	0	3910	1102	5384	42175	1975	2461	39010	12022	2275	4325	4445	7139	9401	57690	5674	10535	8193	41968	35820	42458	35134	27470	0	21560	22959	21359	16909	6309	8885	15025	1950	5414	30884	13052	9780	69895	62054	39805	49312	22363	36792	0	23019	28367	2590	1710	1498	32679	16837	42502	7590	31221	1925	0	23554	3284	Lipid	0.2631579	1.6315789	0.05263158
6	C19 H31 O5 N1	354.2275	354.22806	-0.057680245	354.22748	41536	43762	42383	41559	6410	10574	36800	80881	4678	29028	13451	29938	7487	5104	33223	149352	45141	9329	15739	42467	35206	54585	27124	58840	37963	11801	38317	14241	58498	60810	55804	66168	58423	42673	41200	59910	58946	30819	60438	22572	14850	15669	0	0	0	33561	22411	0	82057	53502	43375	40853	15529	0	7915	2800	8163	159644	2480	2765	160197	14542	6005	6883	10352	14717	22144	67865	8501	34338	20709	51482	41102	63764	54884	45749	0	35614	26470	19533	19789	4732	6893	16144	4521	8258	49988	25037	20610	79256	84779	48707	90162	19661	42553	0	43183	42307	3699	2620	3260	55176	29203	45236	8632	51856	5493	0	33349	8024	Lipid	0.2631579	1.6315789	0.05263158
14	C19 H31 O5 N1	354.2275	354.22797	-0.031016873	354.22748	16181	15138	15042	18138	7488	8531	20668	25143	3686	6839	6408	17045	4047	5628	13791	30039	29352	8135	11212	16124	15701	17100	13534	18353	15425	13768	26522	0	28376	31294	21509	22060	30904	19367	15941	24934	24730	16281	30094	10590	11092	10646	0	0	0	13270	14597	0	0	21089	13036	12980	9522	0	6563	4618	5451	31584	0	7458	30256	3985	5040	3770	5044	8529	9425	33095	0	13376	17450	18877	24039	24661	28554	21228	0	15913	15491	0	11696	4320	4388	5950	10455	5338	28120	8557	9926	49959	37497	24055	27956	12670	19609	0	18407	21120	5444	9993	11148	23050	9908	17929	0	18490	5349	0	16236	4365	Lipid	0.2631579	1.6315789	0.05263158
10	C19 H31 O5 N1	354.2275	354.228	-0.043321867	354.22748	30143	23790	26806	24649	10527	14733	26560	41947	6113	22155	10648	19980	3789	4715	23371	44823	22592	9908	15691	37037	26011	31706	14916	32772	29616	11862	26254	12248	40837	37715	37212	42942	39645	32686	29918	37181	42567	19817	25559	21916	9143	12956	0	0	0	20875	14359	0	46369	36093	28158	23559	10114	0	5102	2722	5540	48776	0	0	41653	7306	6181	5869	5779	9258	13548	33691	9005	24016	18370	39298	27586	32655	29813	30654	0	25598	20334	14795	9634	3497	1826	10189	11494	6560	35370	9599	11462	78608	70942	20963	47367	16141	25018	0	29608	25354	3212	3892	5240	37838	23098	30809	0	26634	3093	0	25014	6683	Lipid	0.2631579	1.6315789	0.05263158
12	C19 H31 O5 N1	354.2275	354.22803	0.037466753	354.2275	17368	25618	22974	23695	4162	6138	19853	40801	4389	21853	4170	17663	3482	3968	19942	28572	19702	8486	15485	30129	22874	26914	13537	22758	23305	9940	17295	0	37084	30225	40912	33587	41256	26440	36553	39590	35442	14915	22761	24884	10149	8257	0	0	0	21547	7725	0	37995	27587	18576	18329	8765	0	3391	2707	5513	41643	0	0	0	5021	6522	4388	3319	9577	11071	27499	0	23233	12150	38171	29427	39535	15250	31762	0	26660	12143	0	9304	3502	3430	11509	5123	5093	23382	8056	9825	70088	46863	27001	37567	7195	19628	0	23253	19862	3003	4291	4667	34816	17440	21724	0	26438	3552	0	17619	6692	Lipid	0.2631579	1.6315789	0.05263158
18	C19 H31 O5 N1	354.2275	354.2279	-0.05433046	354.22748	55571	39533	44458	41235	49377	30217	37768	56527	24153	27164	35544	34174	48005	27647	38869	80023	102030	44768	56870	42633	57333	34486	41351	61830	35318	69931	41283	30671	55576	58735	41299	54244	55887	48999	28770	69992	48705	24401	84451	30753	49585	38639	712	0	0	41546	42450	0	58860	49354	53911	44034	35323	1025	40645	58599	28504	61371	20349	41204	62443	22945	35148	32686	18246	47931	41013	82943	50830	52619	72015	40583	41784	63582	96821	49432	522	30366	50685	50352	31646	21951	35514	28041	43423	32074	63562	38980	38520	84508	66960	49946	68770	32566	48003	0	52479	56404	32146	78517	131001	77262	27940	60237	22113	40332	38255	0	36313	30639	Lipid	0.2631579	1.6315789	0.05263158
12	C18 H31 O4 N3	354.23874	354.23886	-0.08613172	354.2387	0	0	0	1356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48997	0	0	0	0	0	0	0	0	0	0	108690	17222	0	4633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22222222	1.7222222	0.16666667
22	C21 H32 O2 N1 Na1	354.24036	354.24042	0.10417669	354.2404	0	0	0	0	0	0	0	0	1475	0	0	0	0	0	0	92857	0	0	0	0	0	0	0	0	0	0	1347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8163	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3781	0	0	1562	0	0	0	0	0	0	0	0	0	0	0	0	3762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.0952381	1.5238096	0.04761905
16	C16 H35 O7 N1	354.24863	354.24915	0.022541625	354.24863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3554	0	0	0	4071	2379	0	0	0	0	1810	0	0	0	0	0	3535	0	4754	0	2915	0	2354	0	3418	0	0	0	0	0	4677	0	0	0	0	0	2295	10798	0	0	3154	0	0	2407	0	0	1804	85947	0	3456	0	3890	0	0	2759	0	0	14487	0	0	0	0	0	0	0	0	0	0	0	0	0	2507	0	0	0	0	0	0	0	0	0	0	0	0	0	1820	0	2202	0	0	0	416	0	0	Lipid	0.4375	2.1875	0.0625
18	C16 H35 O7 N1	354.24863	354.24896	-1.45121E-4	354.24863	0	0	1637	0	0	0	0	0	1147	0	0	0	6439	11587	0	0	0	0	0	0	0	0	0	0	1661	0	0	1920	0	0	0	0	0	0	0	0	0	0	0	0	0	2611	3162	0	0	0	0	0	0	0	0	0	2079	497	1841	0	7043	0	0	0	0	0	0	1716	27970	63470	118739	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2462	0	0	0	5748	0	1870	0	0	3015	0	0	0	0	0	3110	0	2595	0	0	0	0	0	3652	0	1683	326	0	0	Lipid	0.4375	2.1875	0.0625
26	C20 H35 O4 N1	354.2639	354.2643	0.018074134	354.2639	14362	13171	12246	11905	14526	10119	9212	10115	5406	4985	26686	5978	8415	7908	6356	14408	16144	6306	12640	0	8332	11180	9408	9864	7859	5497	10194	57711	14102	10757	6171	10576	14990	14555	4811	15801	13450	5745	15454	6456	8622	10455	0	0	0	8520	6152	0	13809	9597	14768	13448	9224	0	11017	8105	7809	21069	8487	9491	19462	6077	7722	8608	4712	14000	17105	17428	0	4775	3760	7367	12486	16082	12367	11771	0	8147	11446	34047	5957	84156	9155	5167	7638	10244	24644	8679	8492	33516	39344	34677	17049	18133	17184	0	12852	12987	11798	8628	14305	18926	6333	11124	36453	18233	9906	0	13157	5716	Lipid	0.2	1.75	0.05
12	C20 H35 O4 N1	354.2639	354.26422	0.025833702	354.2639	2904	1949	2010	4466	952	0	7043	4971	0	0	0	1693	0	1038	1453	8101	0	0	0	3029	0	5511	2444	3971	4806	0	9445	0	4650	2781	5089	6904	7054	4849	1522	3533	5211	3158	2776	0	0	0	0	0	0	1403	0	0	4441	2398	1617	1935	0	0	0	0	0	6585	0	0	0	0	0	0	0	0	936	4799	0	0	0	3423	3783	3762	5295	3306	0	3628	4421	0	1409	0	0	1358	0	0	11998	924	2174	30344	14391	0	7711	0	0	0	1889	1946	1488	0	0	3298	2505	3340	0	3672	0	0	3070	0	Lipid	0.2	1.75	0.05
8	C20 H35 O4 N1	354.2639	354.26437	-0.06485605	354.26385	9423	10216	8255	4934	0	1617	17834	22179	0	0	1266	11095	0	0	15924	20069	12465	848	926	3680	3493	3317	5642	15549	16365	0	19882	0	19265	15798	19553	15080	9252	15005	2241	16040	11527	11320	11727	3135	0	4539	0	0	0	2663	0	0	25522	15788	5087	8270	1345	0	0	0	2338	20380	0	0	18942	0	0	0	0	915	4342	12620	0	1435	0	16895	11264	11790	21516	13988	0	12588	6545	2772	3496	0	0	774	0	0	24062	1220	4449	39213	11370	0	19251	2249	5126	0	6831	7157	0	0	0	11697	8895	3119	0	8583	0	0	13767	0	Lipid	0.2	1.75	0.05
24	C20 H35 O4 N1	354.2639	354.26428	0.018490203	354.2639	18086	16484	20531	17575	18627	18183	29411	19403	6300	14184	9377	6491	13785	19337	10927	30066	31865	17836	17739	13501	13682	17615	5883	19410	14900	7843	28776	14693	20472	20850	12688	23947	29179	20347	8213	27947	19616	8464	29690	10279	18207	21312	4844	0	0	15061	20699	0	31364	26918	20548	15331	15449	6313	16857	12904	9069	28463	9184	20696	26738	8471	15685	10202	11229	24915	25987	32247	6317	6178	7772	12539	16451	19799	21106	26469	0	9270	16205	36379	8038	12562	15814	11776	14938	11091	24227	12859	13585	57764	60895	45235	27133	19437	33302	0	16599	16388	10282	10961	12666	33434	6655	16660	13551	27338	13209	0	21742	17662	Lipid	0.2	1.75	0.05
20	C20 H35 O4 N1	354.2639	354.26428	0.08173955	354.26392	2832	2863	2935	3314	0	2329	1422	6330	0	0	0	3022	0	0	2841	17494	4977	0	0	0	0	5735	7345	7180	5680	0	2017	0	1514	5709	2761	1568	0	2597	1619	2732	0	4669	5906	0	0	0	0	781	0	1807	2841	507	3734	7165	2392	2470	0	372	0	1138	0	11865	0	2145	11350	0	0	1314	0	0	1748	9803	0	1880	0	3655	1716	2593	9284	3320	0	2184	14029	2653	1981	0	0	0	2381	0	11651	1579	0	54036	12938	1724	7996	3731	1812	0	1686	2543	1342	0	3703	3379	1142	0	0	4565	2216	0	5037	0	Lipid	0.2	1.75	0.05
14	C20 H35 O4 N1	354.2639	354.26428	-0.09410548	354.26385	2623	2427	1850	0	0	0	0	6240	0	0	0	2517	0	0	2345	7485	0	0	0	0	0	0	0	13048	6997	0	1720	0	4019	3121	6665	0	4187	1986	0	3634	5118	0	1917	0	0	1370	0	0	0	1458	0	0	3719	3685	2243	0	0	0	0	0	0	7893	0	0	0	0	0	0	0	0	0	4565	0	1579	0	2772	1903	5468	4096	1956	0	5244	1469	0	0	0	0	0	0	0	4926	0	3208	25511	13889	0	13313	0	0	0	3022	0	0	0	0	5680	3581	0	0	5268	0	0	1692	0	Lipid	0.2	1.75	0.05
22	C20 H35 O4 N1	354.2639	354.26428	-0.001566369	354.2639	7822	6701	3159	4741	7643	5240	16926	7865	1412	3579	3360	2466	2352	4821	6423	17743	15493	4288	4109	2568	4466	2609	5805	7060	9365	2613	15764	7347	4014	6016	4158	6190	8286	6744	4373	10131	5105	6138	13718	2852	3694	5112	0	0	0	4250	4990	0	8255	9678	4913	8658	1437	0	13290	3714	2769	11807	2042	5716	11932	1753	10062	13860	4905	5402	6290	18506	0	2706	5928	3065	2927	5433	14131	10104	0	3262	6546	13526	2740	2972	9243	7065	5439	4647	13063	3001	3741	38872	25564	12269	15522	3951	4435	0	3402	9821	3308	4943	4697	10450	1455	3260	4049	10057	7677	0	11122	5716	Lipid	0.2	1.75	0.05
10	C20 H35 O4 N1	354.2639	354.26434	0.03451863	354.2639	7088	7914	8683	6531	0	1032	17724	23917	0	1679	0	6031	0	0	8201	15109	8205	0	0	2929	1596	4387	3130	8400	15013	0	13173	0	13362	22106	23659	16915	12904	12225	2067	15415	16644	7418	8828	0	0	3100	0	0	0	2190	0	0	31343	15952	6891	9772	1398	0	0	0	1013	19062	0	0	22215	0	0	0	1502	1284	0	9399	0	0	0	20367	12272	16417	19369	16228	0	14192	5520	0	1249	0	0	0	0	1847	23826	1833	2936	26403	17149	5175	13971	1710	4992	0	7037	6310	0	0	0	11073	10636	5361	0	7240	0	0	6810	0	Lipid	0.2	1.75	0.05
16	C18 H10 O8	355.04483	355.04532	0.12666091	355.0449	3584	3179	6434	7460	13480	4210	1709	0	15103	5513	2474	3162	15020	4869	2927	0	1905	17779	15707	4783	3703	17210	3800	2365	1886	0	1526	2650	1832	1670	0	3515	3460	0	12105	0	2347	3039	2560	3066	4537	3364	0	0	0	0	4820	0	0	0	5118	4637	10500	0	10968	11260	6620	2428	1647	1637	0	2726	30593	7515	4010	17485	8281	1619	0	1978	0	0	0	0	0	0	0	1647	10742	13942	6297	4322	0	2568	15865	7398	5708	7849	7906	0	0	4216	0	15508	13149	0	5735	6663	9958	19047	17688	0	1629	0	0	0	12087	0	1268	17515	Phytochemical	0.44444445	0.5555556	0.0
20	C18 H10 O8	355.04483	355.04535	0.2313257	355.04492	8271	5369	6229	6063	10744	5129	4834	2367	12726	0	2754	4152	13538	9883	4417	5307	6104	12880	20017	2811	3429	8238	5900	4119	4350	0	6810	0	3919	2858	1575	2151	2728	0	5413	2303	3299	6154	7085	1865	2204	7590	906	0	397	2316	1782	682	3649	1529	8759	5535	13702	0	7705	10799	8963	5995	1212	1309	5321	0	18812	14595	8075	13174	8782	5386	0	0	0	1586	2386	0	2900	2173	0	4490	13120	6104	8695	2970	0	0	13963	11452	10161	13026	11762	9135	2220	0	2707	10531	8789	0	7354	4832	9731	15533	14481	7623	4004	2659	2819	7364	9794	0	3840	15955	Phytochemical	0.44444445	0.5555556	0.0
18	C18 H10 O8	355.04483	355.04532	0.19663963	355.04492	8370	7301	5202	6053	13030	10920	1378	2378	12410	6297	4208	3279	20353	8547	4315	0	3869	24177	20219	6986	3141	10520	7581	4178	2874	0	4528	0	0	0	2788	0	5382	0	11006	2079	3095	5503	4942	1272	5098	4765	764	0	0	3030	2501	487	1576	0	5198	7483	9775	0	15248	12022	12100	2677	0	2168	5860	1663	26428	11654	7207	16094	9948	1787	1211	0	0	2311	0	0	1290	0	0	3394	15362	6576	13495	3494	1417	2025	17366	12837	13387	9649	10309	5504	0	3281	6357	11231	16635	0	6350	4837	10871	12579	10860	7457	2583	0	1786	3780	10491	0	5161	20362	Phytochemical	0.44444445	0.5555556	0.0
16	C15 H14 O8 S1	355.04822	355.0487	0.14202477	355.04828	4782	6544	5936	6380	8758	6872	0	0	10750	16666	6399	0	22519	3924	1334	0	1901	20294	13297	4002	8149	23762	0	3253	3552	5809	0	8366	0	0	0	0	1704	1379	27279	0	2581	0	0	11466	12003	2877	324	0	0	3812	3469	0	1558	1424	3298	5005	6755	0	8647	7637	5085	2919	2296	3475	0	9439	8204	9101	2709	11600	2904	1329	7083	6816	9543	0	0	0	0	0	0	1010	2056	18292	0	3601	1566	4670	8110	2709	2394	5051	4629	0	5490	14392	0	25642	22696	0	5190	5001	6345	6992	5090	0	0	0	0	0	8637	0	0	16190	Organosulfur	0.53333336	0.93333334	0.0
12	C15 H14 O8 S1	355.04822	355.0488	0.10513671	355.04825	4633	4813	4098	3825	8487	1689	0	0	5260	18039	15823	0	5803	0	964	1480	0	5904	7966	8685	10817	22080	1363	0	0	8566	0	9507	0	0	0	0	0	0	24952	0	0	0	0	9304	15472	1735	0	0	0	3318	6748	0	0	0	3657	3470	5355	0	4979	2952	2330	0	0	0	0	9172	3403	3739	2356	7950	0	0	0	6972	21984	0	0	0	0	0	0	0	1622	16355	1654	2499	1334	6353	5586	1404	1792	2429	2548	0	0	6970	1821	32515	30575	0	4427	3354	3707	6398	4555	0	955	0	0	0	5200	0	0	13076	Organosulfur	0.53333336	0.93333334	0.0
14	C15 H14 O8 S1	355.04822	355.0487	0.12110381	355.04825	4599	5290	5790	5216	8257	4967	0	0	8806	25300	14787	0	20270	2265	0	0	0	15335	8449	6889	7454	22661	1570	0	1198	5853	0	0	0	0	0	0	2519	0	23372	0	2308	1098	0	12743	15707	2602	0	0	0	2422	0	0	0	0	7132	4392	7794	0	6717	6529	2273	2577	0	0	0	12108	7589	8151	3105	12013	3525	0	0	8010	13026	0	0	0	0	0	0	0	0	25550	1123	3909	2684	4918	9242	0	2405	2940	3567	0	6288	11508	0	36051	38919	0	5294	9808	5401	10282	5071	0	0	0	0	0	6956	0	1237	13118	Organosulfur	0.53333336	0.93333334	0.0
14	C15 H14 O10	355.06598	355.06653	0.14259751	355.066	39059	39643	36384	37527	90624	60977	7582	4572	111442	18010	33469	21877	189291	43589	26306	12855	20615	111495	100323	13200	31832	42386	36238	6616	11282	0	7957	0	10991	7262	11058	7659	24501	11074	28674	7055	12418	24012	13269	10596	18940	46155	10270	13616	13696	10992	21372	16031	11270	12452	39077	38975	68752	14262	126820	88572	50761	12794	11423	14629	0	27264	196763	146581	39354	118741	47881	13194	0	6068	12578	14208	11985	4547	10159	8623	12681	19114	26970	17010	28645	15928	9453	6272	90435	31365	29887	42308	42639	7188	0	19084	17675	38964	21232	12443	34214	31556	73825	112577	90509	16281	26012	11854	0	21314	67909	13096	9288	218152	Phytochemical	0.6666667	0.93333334	0.0
8	C15 H14 O10	355.06598	355.06656	0.12645482	355.066	30404	29107	17691	22862	63734	23663	5932	4446	70704	20441	25924	12283	119513	15516	8857	6422	10367	57406	68924	14177	30062	33999	17710	8655	1064	592	4168	4038	2843	3450	4914	7182	11439	4656	25700	2958	10816	8707	10276	9044	20197	25113	792	0	0	6668	12003	0	5265	5379	23906	26715	36451	0	72661	90376	31296	6904	4327	8596	6803	11285	148256	103800	30149	82256	25490	11106	4792	2564	8050	6755	3916	1952	9987	3696	0	6384	18807	13218	14862	3862	1779	1245	76082	18352	16513	30217	26757	13829	0	6921	11768	41476	18748	0	23772	19677	63600	123613	109953	15437	7707	8713	0	9086	60051	0	3930	125076	Phytochemical	0.6666667	0.93333334	0.0
6	C15 H14 O10	355.06598	355.06662	0.16367653	355.06604	8553	10443	6109	7773	26396	8136	2440	2010	27543	6265	9412	3404	48913	6943	2320	2906	2484	21256	24136	3188	8316	7417	4943	2733	801	0	0	0	888	2223	2452	0	3928	1705	6698	0	2010	4146	3294	2363	4318	7542	0	0	0	0	3849	0	1728	1720	6986	9085	13393	0	24705	38233	9849	2973	1549	3138	3725	1721	54124	32541	9771	32793	10963	3147	0	0	0	2724	1238	1051	1681	1568	0	1993	7791	0	5097	1199	870	0	33786	8040	4435	12782	11890	3852	0	1360	4755	9851	6275	0	9975	8752	20156	51090	46817	3308	2254	2548	0	2739	22305	0	872	52304	Phytochemical	0.6666667	0.93333334	0.0
20	C15 H14 O10	355.06598	355.06647	0.22132671	355.06604	3195	3026	3428	4485	10751	6954	1397	0	14738	4606	2330	2195	18523	6774	2443	0	0	11995	9357	0	1992	6136	5119	0	0	3379	1306	1817	0	0	1636	0	1667	0	4671	0	1792	1646	0	2463	2003	2508	1217	0	510	4622	4127	1506	0	0	3273	4605	5933	0	11821	10036	5795	0	1510	1500	0	3176	26661	14620	3955	11228	3951	0	1309	3719	4370	1479	0	0	0	0	607	2511	1605	7593	1800	2490	1730	0	12506	5727	2109	1747	3504	0	3831	9430	0	5822	8833	0	3635	2123	8033	8245	9391	1883	1134	0	4890	0	10612	0	0	23471	Phytochemical	0.6666667	0.93333334	0.0
10	C14 H14 O9 N2	355.0772	355.0778	0.16674964	355.07727	4806	5990	4350	3944	8878	4438	1183	2506	11777	2971	6425	5357	20455	2936	2774	5451	5384	13466	11552	4078	4908	9411	5142	3518	0	0	0	0	2793	0	1661	2085	7109	1663	3707	2055	4402	2346	7117	1860	5219	6052	0	0	0	0	3784	0	0	2268	4439	7189	7046	0	15859	7281	4455	3205	2279	4840	0	3170	26626	16214	5213	13517	5905	3599	0	0	0	1791	1337	1225	3485	1410	0	2155	3649	0	3763	1150	0	0	9466	3015	5577	8688	7527	8407	0	2805	9501	6565	3100	0	8473	5183	7424	11134	7587	4800	3925	0	0	6941	5264	0	0	31900	Unclassified	0.64285713	1.0	0.14285715
8	C14 H14 O9 N2	355.0772	355.0778	0.12519296	355.07724	6740	10620	7086	11308	12152	7830	1642	4754	25376	3840	8566	7532	39786	5616	4728	5174	6492	14460	26920	4850	9292	13078	11356	0	0	666	2444	0	2548	3592	3238	1796	4626	3914	9592	2838	5360	3684	8118	7312	13140	14836	0	0	0	0	4596	0	3912	6066	9212	10708	13358	0	30362	20002	9858	3082	2866	4912	8984	3750	49874	32658	10970	27806	13332	7808	0	0	0	4152	4354	1722	6395	5086	0	4822	6360	0	4540	1922	2072	0	20152	0	7088	16626	12792	21066	0	0	13902	9340	5030	0	10518	7430	17358	22462	22794	6858	6252	4874	0	9306	13770	0	1782	52496	Unclassified	0.64285713	1.0	0.14285715
10	C19 H14 O7	355.08124	355.08182	0.18471561	355.0813	5044	6808	4984	4787	5425	2450	1241	2881	6713	16623	13509	2194	4453	3571	2331	5849	3361	5810	5454	8483	10600	9217	3427	3913	2425	9579	991	3343	1461	1717	1864	2477	3588	0	20979	2377	1182	3340	3835	3569	9015	2985	0	0	0	5575	6677	0	2711	2269	4847	5732	5522	0	5617	4922	2388	2343	0	4062	0	4702	8403	4087	4182	7199	2010	4261	11617	13817	22965	978	1691	1664	1845	2486	0	2151	6290	0	7009	6094	2272	2040	8350	2244	3318	3042	3350	3114	3746	5741	4361	9728	11360	0	6430	3393	8635	7910	7089	2549	2014	2807	0	1956	5550	0	3161	8655	Phytochemical	0.36842105	0.7368421	0.0
22	C19 H14 O7	355.08124	355.0817	0.10022851	355.08127	25342	26198	24681	23834	29537	17326	10510	8402	35273	48607	35667	8498	24945	13375	12057	14008	12729	36445	36389	30282	37694	47339	17385	15112	12601	45214	8625	21950	6832	5051	6557	6579	13687	6956	52190	5564	11669	13365	10981	32426	38765	18080	0	0	1058	26224	38344	0	8403	7899	24337	17845	25886	1233	24501	25043	16126	15106	11482	11885	14034	16847	38532	26940	18510	32285	19541	11774	52300	58386	64404	3496	5100	1073	4014	6608	623	10475	29715	39929	20379	23003	11335	19541	31499	21254	26776	17091	18742	23415	14719	16981	15848	57621	63046	0	22211	20149	25400	34010	28565	9723	9316	12500	20715	15104	24961	0	16657	41404	Phytochemical	0.36842105	0.7368421	0.0
24	C19 H14 O7	355.08124	355.08163	0.046835683	355.08124	9056	9219	8245	8337	15730	9645	2273	3389	14450	21651	12385	3716	16700	8271	3424	5196	3771	19216	23742	10687	12425	20930	5233	6619	6772	20928	4194	7124	1276	2041	2442	2236	5528	1462	30785	0	4752	3518	4995	9992	17930	4301	0	0	0	10530	18360	0	4587	2764	9149	12377	10019	0	12125	12603	6324	3377	3497	5264	3495	8845	21273	9174	4131	17832	9012	2618	17071	23645	28470	1033	1904	1778	3160	2342	0	3948	12796	14695	13757	10600	5147	9758	20086	12228	8630	7072	8676	10631	5280	7669	7917	29242	28377	0	9255	13648	13685	15859	12200	3392	2847	6235	8781	7495	12451	0	7527	17020	Phytochemical	0.36842105	0.7368421	0.0
18	C19 H14 O7	355.08124	355.0817	0.11189509	355.08127	59505	50842	50147	47850	57609	37343	16761	14194	59018	149889	109460	11697	79975	37696	20371	32812	16509	82741	89096	95533	84649	99939	33102	21054	19762	109757	14605	72286	7972	12736	14587	8901	26134	12615	159207	10627	27503	21553	22563	62251	78670	26509	2333	619	624	53653	54408	1188	19252	14055	51112	54376	39294	436	59977	52993	27643	28163	23219	20468	23556	50189	79858	48115	29534	62108	43941	21476	107780	111206	138256	14019	9590	5493	8805	9775	619	13878	53586	82419	40709	48656	19187	51679	61761	39674	51184	37928	36747	34942	39876	48279	40251	92989	117652	1060	54509	43734	57621	51719	58433	21247	13811	23188	34469	21640	36197	522	23469	62736	Phytochemical	0.36842105	0.7368421	0.0
26	C19 H14 O7	355.08124	355.08167	0.11803882	355.08127	6375	4121	5001	5352	9335	5001	0	0	9795	11172	3918	0	12199	5156	0	0	0	12529	11605	5605	8278	17648	0	5535	0	10621	1634	2911	0	0	0	0	2396	0	17790	0	0	3308	2393	6703	12004	0	0	0	0	5222	11281	0	0	0	6497	7734	6178	0	9386	5568	3346	0	2718	0	0	3843	12798	6445	0	10596	2256	2836	9985	12240	17066	0	0	0	0	0	0	2809	7903	13124	5764	5751	0	3844	12828	0	3636	3076	2943	4571	2798	2702	0	18809	25972	0	6729	5604	3674	10074	7739	0	0	0	0	2529	4313	0	0	14039	Phytochemical	0.36842105	0.7368421	0.0
12	C19 H14 O7	355.08124	355.0818	0.21458167	355.0813	20900	19723	18489	16110	21671	9815	4134	7203	29146	38994	33196	8852	27380	13334	8064	12554	11231	23451	28320	23366	28341	33593	16663	11320	6043	26134	6329	10332	5680	4681	6101	5788	12025	5713	57601	2273	12332	9526	13545	13225	25275	14051	546	0	0	14071	18021	0	8276	4364	19087	18158	13361	221	28136	20066	12260	12997	0	8913	0	16054	38550	27003	10092	26968	13449	12372	27516	28413	49288	5713	5516	1219	7330	6844	0	7458	20118	0	14710	14058	3531	6067	21847	11141	14947	14287	15699	17078	4032	12059	20649	35483	32153	453	23852	15948	21471	18814	16286	8529	12373	6738	0	15563	14965	0	7497	46602	Phytochemical	0.36842105	0.7368421	0.0
20	C19 H14 O7	355.08124	355.08167	0.10726126	355.08127	45334	38510	44219	37095	52576	32353	17275	11723	49619	94885	71707	13596	58902	52667	22427	21920	15682	70431	59347	72625	71897	85512	23891	27413	16363	79862	16028	45777	10205	13819	12361	11151	18785	9560	115469	8189	20427	19145	19222	50910	66609	29159	2861	0	783	51506	60481	2590	12666	9712	40140	42847	41181	1059	46155	41168	30715	26910	20861	21825	20165	39441	76324	44881	25693	59441	31976	18677	88688	83643	102751	11388	8040	4386	9381	8898	581	8822	43466	70944	31471	37135	16821	46843	52480	39054	38495	34587	28532	35822	34944	27239	27329	100181	90396	2089	37156	36872	45404	50978	53265	23002	11741	23208	34075	22087	43391	1200	24541	66712	Phytochemical	0.36842105	0.7368421	0.0
20	C18 H14 O6 N2	355.09247	355.0929	0.10742253	355.0925	4972	5100	3328	0	2023	0	2511	2899	3176	8367	5221	1595	3186	0	1372	2624	2281	2991	1775	3199	4740	6711	3485	3769	1622	6788	1555	4365	0	0	1901	2133	3068	2026	5329	0	5470	3021	4397	13364	22367	2233	0	0	0	7202	15849	0	0	1603	4046	4421	1977	0	0	0	1450	3980	2137	6130	4096	6152	5148	3480	2321	3922	2742	4779	6995	10030	14878	1615	1345	1513	2597	1725	0	1838	4736	10926	5333	6349	2146	0	2815	1719	6436	3933	4108	10732	3098	6418	3877	12630	8723	0	1805	1882	1904	1608	3690	3836	2434	4849	3886	4386	1442	0	4716	2056	Phytochemical	0.33333334	0.7777778	0.11111111
18	C18 H14 O6 N2	355.09247	355.09296	0.17037605	355.09253	8953	6101	5348	6862	5198	4309	4180	3044	3071	18985	15317	3210	3195	4629	2674	4171	4887	3463	6818	6745	10247	12660	2917	7987	2918	14323	2951	7919	0	2783	3470	3672	6005	0	12597	0	7678	2956	7282	14905	38512	3926	0	0	0	10154	22485	0	4290	3651	7490	7966	3596	0	3184	4456	2990	4487	1376	8759	3911	10767	5276	4688	3658	5679	4258	7876	22137	18463	31761	0	2034	0	5082	0	0	3202	7555	17875	4736	9315	3941	10138	2612	2579	8978	6173	3788	18957	5748	7461	12605	26433	19605	0	5623	7748	4247	4308	3690	6769	2999	4066	8659	6582	2508	0	6357	5987	Phytochemical	0.33333334	0.7777778	0.11111111
6	C16 H18 O9	355.10236	355.10306	0.122502	355.10242	104964	119088	102878	55828	115736	37924	23090	42518	89311	95357	173160	35635	219132	28147	34266	45008	42160	90422	178084	57661	97217	65893	98216	50202	13792	20732	24848	28302	31479	32449	32770	69558	47789	31445	198022	32053	44125	30252	49658	35109	132008	45120	1484	531	722	34157	52336	621	40372	35255	111964	112808	49804	774	104656	168056	41900	43550	31339	99232	95072	35575	242352	175276	40046	151528	93620	55922	54476	45040	70602	36621	33390	30041	22483	33353	665	28509	53325	20699	80932	23231	18256	13702	176366	48277	43264	45258	45220	51896	15009	34820	91426	112168	48638	808	56211	50458	113566	99679	207616	95134	59932	46392	47385	38837	134546	625	21499	258134	Phytochemical	0.5625	1.125	0.0
20	C16 H18 O9	355.10236	355.1028	0.117738165	355.1024	39050	39781	34008	38005	53207	39784	16559	32388	55919	35968	21150	30377	64245	20297	42824	29993	18120	72687	54992	35477	34870	37108	37963	31941	18330	16780	17815	11587	31107	23130	30061	24243	42301	28820	41897	24868	40611	25200	21115	32982	35561	21734	4238	2170	2156	35123	37883	3478	30543	26925	33772	38718	39909	2031	82890	33541	26333	33190	29510	16576	25881	29589	68631	62226	21168	47462	28933	23172	26347	25180	27667	28354	27550	23231	20460	24961	1813	31293	43258	17846	34011	25463	19116	18751	48179	33939	32532	28213	34840	18631	19508	30691	39711	26172	21738	2754	34301	31634	41763	39423	40591	37729	25291	30256	27879	31651	38248	2754	25212	79995	Phytochemical	0.5625	1.125	0.0
4	C16 H18 O9	355.10236	355.103	0.029778965	355.10236	10217	13149	8776	11805	14022	6795	4175	8238	19108	10587	10906	6809	45096	7446	7464	9691	10799	19707	18938	9394	13392	11675	10088	10373	2978	4040	5196	3506	6194	5982	6930	6199	8950	4948	15786	5749	7397	7512	11084	6597	10920	9497	764	648	1263	6967	8897	729	8260	6314	12393	9189	11422	936	42178	19827	9343	8063	6546	7884	9009	4311	52886	16943	12515	16303	8193	11564	9843	5689	11688	6008	6623	6375	2685	6849	809	5641	10212	0	9579	3966	3846	2661	22926	9618	8111	10245	10758	11837	4401	4296	9979	7589	5902	1521	9347	12552	15348	29210	25533	9278	6077	10249	6403	7539	15310	703	5689	25460	Phytochemical	0.5625	1.125	0.0
0	C14 H18 O5 N4 S1	355.10706	355.10776	0.38861707	355.1072	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1014	2162	0	0	0	0	0	0	0	192193	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2077	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35714287	1.2857143	0.2857143
4	C15 H18 O8 N2	355.1136	355.11426	0.037839476	355.11362	33989	34547	29730	30557	24924	15602	12877	30339	33472	19936	29433	28992	38865	10656	21603	31853	48997	40493	36293	24368	32798	44216	29165	33751	8826	2159	13802	8842	19663	22172	24939	24392	37805	18664	32989	21408	33725	22293	61158	24706	39701	31103	0	0	0	21250	36715	0	26872	27710	30491	29158	24278	310	39025	29080	22147	26817	21268	36749	30964	19066	50741	41061	27411	32051	24450	53930	8671	5812	8823	23681	21220	22547	13545	21844	0	19616	21737	12291	17503	11472	11564	7919	36492	18306	20305	35223	33615	44542	10932	17628	52572	18268	16507	0	30238	33008	25242	37868	33816	38520	21301	34885	20457	34993	23398	0	13984	63332	Peptide	0.53333336	1.2	0.13333334
18	C15 H18 O8 N2	355.1136	355.11407	0.11680948	355.11365	9311	8199	9632	6540	6577	12287	7729	6094	6755	0	2505	7965	7853	5735	10898	8978	8344	14198	12389	0	0	6966	12903	7581	7423	0	6458	0	5212	5356	6818	4269	14791	8630	2822	6974	8817	7746	9227	4266	3879	6737	441	325	462	3361	3691	0	6940	6910	5020	4980	10902	457	11044	4526	7532	10704	6099	3022	4255	3336	8614	11017	6713	10442	6064	5475	1201	2952	0	10244	5515	4354	4260	5910	415	8392	16220	0	10890	1922	1630	0	8989	6401	10936	9557	7876	12236	0	9656	26586	3941	2782	0	8326	5022	6060	5061	4998	12203	7724	4166	0	12835	7197	0	6536	18218	Peptide	0.53333336	1.2	0.13333334
2	C15 H18 O8 N2	355.1136	355.1143	0.039377343	355.11362	9819	8246	6942	8576	14464	0	4157	10988	16119	6108	10368	11361	31110	5978	6661	1420	7153	17291	17493	6471	12958	15566	10414	6462	1378	924	0	0	9388	4410	9732	6755	18137	8451	11801	6740	12037	5630	7975	8105	10390	10847	0	0	0	4844	6044	0	8332	6013	9094	9712	12586	0	18224	11680	7930	8411	5290	6767	2847	3998	37593	20152	6417	24709	12560	9308	2010	2697	2670	8301	8630	5945	962	7481	0	6677	6710	2031	6963	3157	4119	2039	11124	5593	4496	17654	14925	14780	3437	5909	18865	6338	1453	0	12314	9614	9281	16645	13818	8347	8401	5394	3933	15153	8569	0	5429	38113	Peptide	0.53333336	1.2	0.13333334
6	C15 H18 O8 N2	355.1136	355.1142	0.04785167	355.11362	126323	145483	116681	115895	78156	64015	50404	126274	117294	106642	129706	117279	131622	24968	85876	140346	168612	152827	163139	92840	151219	157084	123996	149552	34189	6274	61418	35207	98649	102372	116851	111432	172276	104231	124234	101866	150284	90372	198322	91165	177917	110943	861	0	0	94390	155979	0	129807	120721	130433	123616	97721	0	145888	82465	75232	116323	179356	150306	146483	119758	161776	140377	72972	122667	115253	216904	32373	28242	42407	109709	109690	88080	87466	90581	0	80445	75205	47721	70157	50320	45835	27279	90443	65797	83285	146892	136319	193405	45525	89923	206742	100092	73657	0	132319	115336	60645	84182	91609	162706	100789	139112	743615	155341	77040	0	53785	223057	Peptide	0.53333336	1.2	0.13333334
10	C15 H18 O8 N2	355.1136	355.11414	0.10168491	355.11362	226428	208585	197909	184910	149124	140871	108464	228929	172940	153919	160234	330408	205630	62424	171863	211193	398601	293255	322361	141539	193607	277283	247920	233588	77067	9824	91548	69891	181920	171906	207087	213428	386701	199032	201624	177462	345177	171603	268166	169759	223240	253122	2655	0	0	141143	164087	0	203853	197093	232339	220501	203509	458	236462	103776	106836	230239	178692	158950	257300	145356	235072	226236	137920	227113	229058	493058	61778	54994	74037	197392	189218	142754	365644	178551	0	194527	149576	84172	140121	86106	83733	47261	124310	87465	145717	329028	311429	258565	85463	156999	376914	124530	116959	762	221850	207545	107557	106087	97349	363493	254904	166225	95853	353184	100049	0	97597	356217	Peptide	0.53333336	1.2	0.13333334
14	C15 H18 O8 N2	355.1136	355.11414	0.13763501	355.11365	144930	158085	139286	148104	114455	91156	120981	133409	111999	167299	135232	131331	120470	63787	116814	158067	252131	146295	152368	159183	160088	169481	129278	155017	86228	191946	123364	100890	116063	108147	111059	135316	176134	132820	192814	122829	152858	103782	273466	135297	154642	110413	0	838	1312	111293	143778	1318	148575	112473	156684	133324	104661	1301	117237	68770	79862	176044	108494	109245	181350	91629	129561	129809	78111	142214	108260	270500	178170	211455	272167	107438	110510	100942	161212	120713	882	107011	149154	89404	129392	93485	78072	86964	105053	75212	155393	141206	128889	281109	101716	122744	203781	90182	104718	2536	158089	133073	84110	92070	88108	180195	112773	118499	58019	171380	84074	893	118307	149132	Peptide	0.53333336	1.2	0.13333334
8	C20 H18 O6	355.1176	355.11813	-0.12707384	355.11758	9295	5706	6046	6204	2104	2884	6682	8523	4138	8892	5476	6088	3847	2913	5663	9185	8483	2951	3524	10979	10062	7613	6585	9784	3766	8766	4100	3346	3686	7216	4407	5654	5486	3175	9945	6290	6805	5674	5614	9275	9938	3465	659	501	760	6940	9657	622	6627	5879	6983	7374	4077	484	6500	4736	3743	5923	4680	7054	6130	5166	5776	4080	3711	4293	3127	8143	10591	9381	20269	5649	6107	7050	4701	8456	662	3973	9173	0	7166	7980	5256	4681	3710	0	8026	3038	4765	8921	0	0	7752	6110	4955	1094	5747	6559	4629	5810	4777	6672	6343	6874	0	3883	5132	460	6714	4653	Phytochemical	0.3	0.9	0.0
10	C20 H18 O6	355.1176	355.11807	-0.07553025	355.11758	21550	21208	12173	15978	11377	7013	12899	15656	13477	23422	20456	12769	9919	6616	9712	21367	14114	9481	14736	24632	30415	17374	15014	18928	9117	32708	13103	17610	12227	13246	13440	17306	14959	9964	25521	13427	12559	12599	19740	21432	25461	7927	1329	649	907	17906	22590	1195	13979	14941	15710	16369	11231	656	10412	7222	7237	18449	15213	16384	13348	13697	9650	9864	6080	10171	8239	17459	28914	36142	44994	13781	13682	10682	13783	14200	0	9688	20933	6750	18078	16443	15824	15749	12534	7050	17314	8107	8667	18124	12623	11124	21472	14608	16938	1535	15751	14489	11899	11384	10249	16013	11989	19201	0	14667	9017	689	11883	11959	Phytochemical	0.3	0.9	0.0
12	C20 H18 O6	355.1176	355.11813	0.041247558	355.1176	45914	36796	40760	43658	24798	13982	30081	36168	25770	59729	43508	25561	19830	13922	22795	34962	30104	27886	31803	70346	67375	51336	27823	44141	20247	83093	29549	27573	30638	29028	26310	32394	27368	26876	71913	30571	25300	25735	36798	41042	52899	15941	1722	421	1179	41351	42771	1142	31192	30624	43376	39463	19294	797	28729	19308	18151	36258	26411	29975	29483	34469	32357	21714	16398	30720	15736	36740	85104	83185	116495	30174	28140	26966	32551	34113	789	25002	39202	29532	35436	39835	27058	37037	28904	17345	32185	18018	20665	44482	30206	27811	40034	28645	44947	1799	43178	40860	23180	22371	22705	28497	27915	34110	36156	28283	22845	929	28687	27686	Phytochemical	0.3	0.9	0.0
24	C20 H18 O6	355.1176	355.118	0.079417825	355.11765	34427	33688	30083	29237	42020	19588	9190	18442	31545	70705	67383	10408	43140	23823	19455	17855	11996	38509	44177	60561	66173	45547	20104	18103	12394	111211	6756	51039	11977	13261	10390	12252	12595	12445	86931	11585	14173	12760	16833	51328	56757	19550	4086	0	0	38007	43329	2652	19802	12241	38116	31641	25069	0	34651	33062	21725	18712	13653	11517	19211	34246	44099	27385	18173	42686	22620	8763	114388	100409	147771	14347	6939	5218	8177	10082	0	13629	27047	41365	23437	27747	10953	41360	75436	22364	32187	20394	20102	19459	19089	16386	27642	43279	51695	2907	31583	29902	35163	47806	58846	17129	10858	18580	21922	13512	26368	0	15620	44211	Phytochemical	0.3	0.9	0.0
22	C17 H22 O6 S1	355.12097	355.12146	0.15721257	355.12103	12714	11890	12999	11702	13949	15617	5087	5543	9769	38979	12164	4025	10230	7843	5651	7386	7073	25063	15236	37992	30991	31571	5642	7127	9690	23557	3881	18246	4085	5587	4250	0	6829	6733	37241	5046	10604	4812	6638	29155	18145	10432	0	0	0	12415	10206	0	5781	4199	28308	12629	11806	315	11332	9740	6713	12373	17777	7699	16336	26407	7719	8176	3737	12861	9328	5264	17045	35331	23310	0	4735	2622	4530	3271	313	2582	6394	12244	6987	10383	12425	19860	9642	8254	8953	6435	6271	8503	44278	47444	10279	20007	34617	0	11902	22356	5917	11755	11142	7473	3671	17976	11477	9142	12337	0	7610	17167	Organosulfur	0.3529412	1.2941177	0.0
6	C14 H18 O7 N4	355.12482	355.1254	0.014571664	355.12482	13126	17600	14855	14676	8637	7650	5779	13125	15113	22008	15027	8281	15973	4325	8659	12415	16145	16083	19674	23907	25344	19767	11919	16176	7100	23126	5080	11505	12100	7871	11500	11027	20210	10154	28406	6592	11744	10926	18634	15167	23372	10149	0	0	0	14824	20766	0	11180	10960	17410	11662	8616	0	14087	9800	9669	12260	5696	11565	10476	9685	13605	14502	6527	15606	11428	18230	22134	29861	39726	10849	10398	8912	11900	8277	0	7617	9728	7012	8245	7130	4846	8694	10384	8461	13777	11800	13165	32785	5267	8478	36076	12779	16292	0	17132	15041	6602	7429	8417	19567	8539	12378	0	15573	9509	0	11606	19295	Peptide	0.5	1.2857143	0.2857143
8	C19 H18 O5 N2	355.12885	355.12946	0.17647722	355.1289	29660	29453	24859	29207	18221	13126	16289	24348	14784	65312	49106	21109	20827	11238	21105	28228	23521	18996	28551	71463	76505	43973	31191	36606	13657	71500	17759	36172	18546	17715	17154	26212	19358	19726	60263	17488	29353	18535	26774	57505	65724	19255	0	0	0	38024	70590	0	18181	21342	39539	32231	20953	0	17365	16381	17164	21535	13278	22415	28108	32295	24310	22098	10772	18257	20857	33671	79666	106044	150340	16972	18284	12206	23553	16534	0	16952	30002	28600	16996	19679	12001	39000	22867	0	29619	22426	18186	58126	21760	16440	47062	45266	47342	0	36735	28127	15644	19951	13776	22734	15738	20315	0	25438	8488	0	18742	32602	Phytochemical	0.2631579	0.94736844	0.10526316
4	C21 H22 O3 S1	355.13623	355.13715	0.36708316	355.13638	483	0	0	0	526	0	0	0	0	0	0	776	336	0	0	682	0	395	505	0	0	0	0	0	0	506	0	0	0	1709	855	0	721	0	0	0	0	540	1246	0	0	1063	0	0	0	0	0	0	0	0	660	0	707	0	945	0	733	915	787	0	902	0	427	660	0	0	0	1588	0	0	0	0	0	656	37364	877	0	789	506	0	629	0	1057	0	0	973	0	0	0	747	0	0	617	993	0	0	0	662	0	0	0	0	836	0	0	675	698	0	0	0	Organosulfur	0.14285715	1.0476191	0.0
28	C17 H22 O8	355.13873	355.1392	0.07786705	355.13876	9679	7292	9166	11008	8778	7719	6951	13091	9246	16175	7503	6216	14366	6983	7608	9135	8290	16263	12451	20712	18590	11489	13497	11418	7021	10396	5389	7924	13997	11621	13101	10504	13447	10843	23126	11485	12867	8166	9298	11576	7652	10391	1762	2078	3244	10392	7533	2060	11648	10101	12601	9980	9072	0	14298	9201	6597	11520	9276	4852	11665	7019	11730	7146	5592	12748	7283	6418	11190	21142	11523	12176	10641	11989	7542	13610	3318	8669	8905	3346	8371	6435	10229	8950	8113	5489	7743	8458	8264	4066	9310	10218	11656	3957	5652	2487	10830	13620	7889	6564	8745	11277	8196	10614	7607	11724	5990	1617	8037	12346	Phytochemical	0.47058824	1.2941177	0.0
8	C17 H22 O8	355.13873	355.13925	0.0400226	355.13876	677248	748048	533072	729900	184274	335928	482019	412948	280826	372480	274148	555681	556644	210076	587594	857008	352630	271562	750548	476891	444647	752380	375033	945408	195094	544940	246222	417440	676368	686745	670915	740588	649833	579638	880324	682024	694685	577916	780905	629392	720592	220438	8938	3556	6660	790376	798716	3834	394488	762281	669732	683424	197666	4784	866564	473568	365912	340128	675204	678648	430038	244778	627792	614976	277188	530104	193990	357964	318282	353716	480506	677482	337133	688528	235600	745857	3608	276434	813460	183382	341901	254786	596296	365436	274236	167796	662424	361627	428737	771696	222206	665800	866477	478848	651094	7830	353454	719385	435104	273782	544976	741330	533913	961876	207178	628532	236910	3388	473584	605592	Phytochemical	0.47058824	1.2941177	0.0
10	C17 H22 O8	355.13873	355.13934	0.060445413	355.13876	469030	437986	415173	402039	573020	449834	310202	1021710	416796	1139944	657778	341657	830466	297548	363347	536654	356450	469434	474580	659846	1193844	495848	423164	556300	536476	419272	317809	532830	454258	423067	400417	903360	986730	746234	1289502	897318	462822	706340	422017	455987	451976	269381	13226	3928	3683	883612	394419	3002	463689	425218	457691	459624	280238	4541	589515	610982	209078	493864	937762	780978	549891	576888	771530	828640	364870	697238	525900	412205	479572	572745	1143612	867834	412757	427031	362316	415939	2833	321229	985236	223035	436010	616316	742552	481778	376383	239987	427784	456400	289861	392807	309469	736498	1056142	598630	808498	6925	410017	468250	555854	618194	609054	442184	320224	1106494	273501	385139	570800	3595	292449	459203	Phytochemical	0.47058824	1.2941177	0.0
16	C16 H22 O7 N2	355.14996	355.15045	0.050149277	355.15	211413	233625	198790	221505	145673	121645	154159	217522	143693	229961	190539	155204	171763	100986	182186	237476	206879	176302	214529	308907	270234	231003	185462	254711	176351	440303	151526	146578	181836	192064	194072	218783	230318	162043	230589	203186	224047	161560	223555	227397	247733	133456	5669	1958	2910	195707	193286	2368	234339	217184	220860	214557	141058	2244	147969	108807	113614	261355	165881	184806	230632	141773	148692	136154	92000	171122	131868	223026	365831	432545	571115	192194	181031	209888	189285	225240	1917	144283	238927	162817	185597	145109	172884	169071	164955	104198	217603	140434	147518	323669	193224	236360	301982	138313	194725	3217	204996	210484	125343	147380	147404	218716	137473	211334	110814	231635	138707	2011	186482	183218	Lipid	0.4375	1.375	0.125
10	C16 H22 O7 N2	355.14996	355.1505	0.006810753	355.15	311697	289450	281071	293234	114275	147830	252518	456719	156924	258757	124780	251103	154639	61917	335337	393706	281695	243867	272222	335529	276484	442711	297545	414819	278531	41875	258239	115459	404835	348769	372318	424368	484801	357942	349334	381583	494814	273641	337785	316616	240072	186990	3428	0	596	313016	220796	0	415366	341691	302289	298192	167019	669	252386	89935	112383	422575	457692	251919	409970	191411	152147	167816	114955	174203	182417	344965	82360	122328	92254	403546	357629	369268	237370	326812	0	252309	240286	135844	234442	202301	278092	120122	108519	143108	226851	184366	208394	328899	258329	369731	578635	173321	246172	1344	281365	318738	92734	82847	91120	418469	266791	421247	178259	376197	110684	0	231719	222073	Lipid	0.4375	1.375	0.125
8	C16 H22 O7 N2	355.14996	355.1505	-0.007046922	355.14996	292400	304183	242923	304504	109356	132257	212883	391067	181759	233940	140816	247249	155384	57208	310280	379642	316472	209582	279131	294486	274295	402685	292852	429969	193383	29628	206604	107232	337286	308304	356155	385437	431405	324903	345145	334658	437990	275670	391110	292725	271157	179556	2330	0	0	321749	266863	0	416058	355939	287563	297017	163547	435	254314	85112	132682	328474	359716	255959	375261	190281	167126	185451	111008	171601	179857	369131	62779	93213	94092	361611	352390	324135	219199	348567	0	256563	247889	133310	212797	182688	240568	115973	111213	118931	217688	201061	235832	347700	217177	355647	549921	182005	219083	974	286215	297250	106588	89829	101462	392456	255547	418514	160410	379977	127338	0	217851	244574	Lipid	0.4375	1.375	0.125
2	C16 H22 O7 N2	355.14996	355.15067	0.028571835	355.15	51028	50852	43209	45701	41457	43074	34136	51845	46511	33887	29912	47269	72823	19796	34925	18607	110722	65984	59577	34171	58525	75749	43861	43025	18445	3882	13364	20852	58161	32377	55016	48545	81896	52511	55905	43875	67654	30169	116849	37709	45847	41778	355	0	0	29370	32358	0	53354	32483	42674	42975	42106	0	58440	29026	20616	55155	30083	37645	19721	21776	73245	61685	23219	60213	48409	126082	8351	14198	14348	46817	50869	42646	17580	39881	0	33909	39771	20848	33505	18069	17959	10428	34821	24698	35818	52129	46896	77225	34790	56932	90026	31885	15305	0	51910	45763	24962	36417	35126	44805	39565	40957	22185	61121	34119	0	25783	90121	Lipid	0.4375	1.375	0.125
4	C16 H22 O7 N2	355.14996	355.15063	0.01966888	355.15	73585	82524	73833	73565	46570	41260	40503	80547	67156	61879	41378	58404	82927	25884	61694	73000	148404	77815	87231	66330	74781	113692	69105	82681	35499	11199	45736	24311	66195	63036	66073	68549	97957	61078	92744	77215	92601	60340	200559	70978	89005	52554	3438	2088	3226	73622	95876	3218	76854	71175	75256	64095	55418	2204	91929	53582	36100	73762	74432	96906	72982	46820	89590	72883	38783	65464	51130	144702	22480	20901	21921	65348	62457	68499	53852	61718	2220	51155	50082	36186	50910	46275	50325	23574	62810	45283	50130	55646	62192	86420	56062	81779	119452	47571	56900	6482	70762	81817	46179	63297	56495	89602	58469	101464	52366	73636	53639	2924	37914	108345	Lipid	0.4375	1.375	0.125
6	C16 H22 O7 N2	355.14996	355.15054	-0.004625766	355.14996	184861	201621	175353	193396	88317	90751	124818	242925	126273	160843	104953	152546	136623	39816	183616	233165	221847	166184	195910	175135	201046	274134	170388	247587	99249	17895	119790	73552	209027	197149	230499	229154	288353	207349	223853	208564	293962	161564	302455	142840	202597	116673	926	0	0	177310	210036	0	248204	208723	193778	194374	113150	0	165983	76408	80340	221008	197358	212096	243496	109676	132821	113913	69660	126249	131638	292344	35395	55923	66627	217487	209696	213358	109710	178204	0	139495	129086	85720	130773	104438	130827	64934	94977	94379	137895	138617	155173	264012	136017	208673	335680	121558	149402	0	187783	176745	67987	87501	103929	271111	164371	258260	108777	238274	88674	0	114410	200308	Lipid	0.4375	1.375	0.125
12	C16 H22 O7 N2	355.14996	355.15048	-0.028496437	355.14996	231129	221596	237928	237932	106162	125864	255187	314347	131977	176196	100547	161117	127651	54362	266747	254715	193699	219866	239848	250591	186465	331031	239260	313639	238331	32701	163956	99534	299913	240911	289137	304289	345102	286869	266384	291084	370202	244048	209181	239560	186396	141255	1913	0	0	233516	154422	0	302908	242447	227303	223201	140681	585	212857	76944	101086	309956	327974	158348	262882	151148	131404	139478	86458	158394	148545	228518	45321	110230	71202	292694	256341	282444	161874	236254	0	223427	180758	96245	164644	140460	189777	93847	86751	112408	210014	144651	174330	262757	244567	357845	459840	121946	158047	1041	232011	230716	87922	66934	70957	304609	195201	260365	118007	299896	99658	0	188913	217265	Lipid	0.4375	1.375	0.125
12	C21 H22 O5	355.154	355.15445	-0.118951835	355.15396	44950	66148	44868	52795	19762	17459	45576	53322	24078	40057	40522	34929	18772	14590	32114	58811	53921	22698	35103	63069	52714	50349	39704	58822	30923	57869	50517	24659	41641	43441	40524	43480	40388	31908	52081	44086	38182	36063	57101	41307	53896	20999	2063	1224	1674	42678	54038	1213	43772	49952	40934	49294	23704	1280	27603	22509	20679	51054	46162	58239	57286	25781	25372	22418	16518	26494	22091	53467	48861	73478	80600	39205	39262	42501	47596	45866	1103	30842	46622	25000	43488	39489	41283	36249	30316	17826	43071	18994	21871	59732	32173	44083	46682	25680	41208	2005	47693	57117	25695	25797	27914	48315	35097	51727	23153	40099	23730	1358	37304	23699	Phytochemical	0.23809524	1.0476191	0.0
28	C21 H22 O5	355.154	355.15442	0.047527757	355.15402	15655	11640	11709	11372	13722	7440	5281	12681	11337	15069	12955	7219	17681	10478	5980	12201	7549	14317	17779	17768	21628	15124	9440	13163	8557	30154	8850	15406	9023	9284	7914	8226	12339	7146	20201	10374	9878	5273	8799	13895	17910	10624	2117	0	0	14026	11361	2414	10497	9367	11457	12168	10164	0	12558	11972	6574	11760	6460	6241	13226	7570	11240	8149	6557	17247	12024	10496	38158	36201	50332	9706	7935	7994	6802	8183	0	7655	11713	10975	9087	8388	7427	13483	14428	6998	13174	10369	9375	12403	10822	10735	14219	11681	11156	2416	12159	10759	9314	15330	14455	11559	7034	12604	7343	10853	8191	0	7600	14488	Phytochemical	0.23809524	1.0476191	0.0
14	C21 H22 O5	355.154	355.15445	-0.054437015	355.154	110902	113004	87579	105714	60367	46556	81817	110792	63348	100560	89084	75039	46724	45061	76580	104445	101935	63963	74751	125947	127777	124125	71265	110698	71074	187507	82619	91063	78412	88443	90056	120300	95501	69101	105436	82060	79577	72561	112156	105037	145870	57514	2836	1304	1268	83095	111380	2097	89427	94264	93241	98323	59246	1491	62352	50442	51596	118797	70457	107991	85292	69796	78303	55499	41695	62474	53040	109868	165857	178652	245073	70190	73970	86695	87704	94467	1323	60505	121563	57349	97652	79822	81669	78534	78027	50266	107577	57763	57612	151176	87028	77902	116720	66790	78720	2712	93184	83505	53941	70866	71719	83778	76584	118759	60380	81782	56098	1445	90936	61243	Phytochemical	0.23809524	1.0476191	0.0
26	C18 H26 O5 S1	355.15738	355.15775	0.20980476	355.15744	5038	4321	3551	4686	7905	3782	0	0	3910	5904	4023	0	4958	4300	0	6847	0	6484	8391	8939	9059	10357	0	0	0	0	2720	3744	0	0	0	0	4047	3677	6023	0	2135	0	4846	8341	6086	6418	0	0	0	0	6684	0	3690	0	6918	4662	5792	0	0	0	0	9166	5520	4326	4341	4380	0	0	2981	7266	6318	4560	0	7789	6987	0	0	0	0	0	0	0	0	5718	0	4858	4952	6020	0	0	4346	3373	4250	11328	21558	19933	9393	6331	10698	0	7206	5823	4035	2583	0	0	0	7941	0	4655	5578	0	4519	0	Organosulfur	0.2777778	1.4444444	0.0
22	C18 H26 O5 S1	355.15738	355.1578	0.10878285	355.1574	24246	19292	17863	22963	27801	26264	7478	9000	17117	35204	23449	5350	33436	9040	10697	9649	10957	24052	25455	42645	41753	38935	6753	8925	15221	20908	11570	25871	8961	4619	9063	8175	28844	10413	41216	11207	15037	10427	12895	30625	31246	13700	0	0	0	26382	27805	0	10177	3911	15796	18992	23530	0	17879	13252	12638	18126	23752	20139	11942	21538	17274	8652	8309	34307	26883	11968	17192	26843	20000	3779	5836	5600	21526	7065	0	6066	13885	23321	6162	21833	21797	22326	21551	14932	15261	12831	34288	21217	75770	87577	20542	31499	56784	0	16294	18622	17168	22591	35824	16526	5529	27607	26225	14088	20817	0	10510	18361	Organosulfur	0.2777778	1.4444444	0.0
14	C14 H26 O10	355.15988	355.16006	-0.057176758	355.15985	77944	70541	73963	74481	8667	51458	58952	87619	48424	121331	68405	55403	0	34449	65656	90324	70994	91472	0	159734	153270	0	69811	99985	67071	141853	59999	0	92851	80304	0	82469	111573	5968	153737	97573	0	7660	69857	121039	97854	54526	21166	21577	6301	90203	85687	20143	0	0	6966	0	57437	8368	95765	46532	44902	104964	89370	0	0	75710	62767	57658	40519	57791	47079	17606	120931	165017	0	0	0	2529	0	68684	8036	7636	59968	54316	49183	5834	11325	7176	59491	43666	65790	60370	64825	116964	80724	101271	112190	57361	92335	17019	73287	85520	52760	49756	5204	101265	61024	105960	0	76494	0	20628	48611	61312	Unclassified	0.71428573	1.8571428	0.0
2	C15 H22 O6 N4	355.16122	355.16183	-0.11666183	355.16116	11843	11406	12977	13548	11244	0	11541	13521	12491	3725	4564	11610	14126	5535	12190	2817	15837	14937	18187	4938	9593	16351	14933	12728	5351	0	2431	8574	16351	8538	15908	12690	24674	12662	8349	10871	18579	11757	19996	6666	6773	10030	0	0	0	4887	5414	0	10271	6333	13553	10937	11135	0	13376	4405	6830	15750	7979	6536	6283	4012	14800	10607	7560	15433	13956	24381	874	2717	2175	13489	13283	9727	2027	11943	0	10883	12307	8022	9182	3114	4875	2326	7567	9044	15388	14799	12165	36927	12742	15446	34732	5499	1660	0	12725	12360	8487	6221	7114	10973	11795	7314	4202	16831	8145	0	11578	19191	Peptide	0.4	1.4666667	0.26666668
20	C11 H23 O2 N8 S1 Na1	355.1635	355.16397	-0.12412081	355.16348	6392	10977	8883	7497	2789	6040	3319	6052	6371	6785	12348	3118	7166	4060	7351	8718	6573	4821	7616	15293	14504	10925	4814	10227	6392	19495	4737	12889	11563	5556	5965	10894	12581	4510	7950	4967	8504	4401	3372	17949	23614	5003	0	0	0	7882	8502	0	6941	6840	11819	7104	4958	0	8916	5015	3695	8991	4904	8200	8308	7043	7719	4929	0	6470	3803	7295	17345	16164	26081	5787	8323	5784	9375	5121	415	5461	4925	11477	3547	4731	7345	14793	0	1890	8425	10626	5456	19565	14412	19716	16017	12612	10551	0	7972	6381	4167	1678	0	3939	4960	10024	4539	8882	4981	0	6213	11695	Organosulfur	0.18181819	2.090909	0.72727275
6	C20 H22 O4 N2	355.16522	355.16577	-0.104784355	355.1652	6937	5867	5490	6042	6843	3608	2744	6750	1389	12019	8018	3747	17477	10463	4418	10160	6472	2734	3469	13022	16912	7506	4312	9691	4734	18102	2703	5995	5409	6890	7240	5267	4977	5159	12574	7201	6560	3604	6946	7774	10303	2755	0	0	0	5726	8662	0	9928	8555	6914	6056	4333	0	2492	3362	1315	4929	1292	2760	8441	4721	1295	1719	1353	7701	3403	6423	9823	20747	21114	6104	5424	5220	5886	5115	0	3632	3627	8376	4222	1636	1129	6334	2359	1560	3647	4505	3247	14623	15988	0	11654	6991	14744	0	4916	4636	2161	2643	3533	7431	3186	5312	0	6520	1830	0	4323	1953	Phytochemical	0.2	1.1	0.1
8	C20 H22 O4 N2	355.16522	355.16577	-0.03287166	355.16522	14579	18049	14542	17795	6715	7074	12739	16871	7074	21162	18958	10421	9126	9142	11577	23142	15024	8426	10046	25283	25282	17266	11003	32565	12729	25606	15259	21545	12518	12723	15273	17249	19877	17227	23727	12553	19943	12064	19228	14525	11892	7816	0	0	0	18188	12880	0	15851	15182	14002	13637	8581	0	7740	4337	5600	19834	4954	6092	21866	10727	6170	5075	1985	7718	8045	17840	13645	29938	32234	18305	14352	12522	10506	13381	0	11554	15204	11613	10937	4439	5455	13243	4489	0	14831	11466	9548	31232	23224	20360	36946	15192	24921	0	14251	13619	4404	4451	2244	16515	8637	10571	0	18271	2558	0	14885	7295	Phytochemical	0.2	1.1	0.1
10	C20 H22 O4 N2	355.16522	355.16574	-0.033703428	355.16522	8959	8800	11344	8352	2711	3201	3172	9712	3820	21621	19536	4621	1855	2881	4105	8256	8383	3091	2891	25600	26028	9296	6747	16285	8323	105028	4278	22177	5663	6492	8382	10126	8829	6015	22710	9544	11974	5325	7693	19329	14287	5415	0	0	0	13768	17682	0	9865	7857	9586	10229	4134	0	3311	2630	2990	6820	0	2872	9989	7933	4058	3699	1997	4428	3693	13023	74847	96357	138910	10623	6689	7099	8383	6483	0	4767	4827	13415	5411	4153	1594	10374	2636	1501	6419	5292	3803	18292	7223	2743	16647	10880	22833	0	11192	10798	2587	1745	3351	10896	4453	9110	0	11212	1624	0	5718	0	Phytochemical	0.2	1.1	0.1
16	C18 H26 O7	355.17514	355.17557	-0.01892711	355.1751	581634	600869	591777	594083	442690	434489	580923	704624	517730	583987	358670	419332	646575	299554	602045	721610	591652	705653	778853	778290	633878	547371	583886	753869	525906	402381	495543	355200	710948	671848	645749	757782	861414	549442	613863	746363	853864	485073	635694	485926	342448	491990	18714	3670	3894	448846	365432	3509	768958	630443	622348	608311	479988	4901	771876	461075	366255	813754	490923	356494	745566	308994	627091	538755	280726	591377	555048	557098	324860	600329	418965	614849	643556	708802	594439	688609	2736	448755	586809	320801	433371	311830	705696	474535	496677	385432	599932	436671	518165	587106	548547	689140	823539	314938	425773	9187	598761	631734	360568	468801	567205	796709	398552	621257	233762	655121	438357	3318	485289	569914	Lipid	0.3888889	1.4444444	0.0
12	C18 H26 O7	355.17514	355.1756	-0.06501559	355.1751	425790	215479	428780	429888	102640	190818	406454	522922	243146	138503	117065	291818	113324	58880	384484	626194	501658	134005	373688	409806	308896	196480	381602	564418	327912	108712	435744	104669	482108	485526	409422	479158	495700	347900	310362	481612	489384	347146	545990	230936	160174	249080	6734	2129	1548	350402	161199	1597	581972	245122	432712	440824	115230	1936	373260	126062	186204	534060	178438	167697	267034	87292	152855	267404	153690	136468	247868	255951	102921	145552	131788	362368	377050	461160	538208	454194	1131	337742	215143	103483	360042	120134	387218	234326	147883	218090	443366	174258	127034	288887	374094	405180	538472	103446	336790	3685	453266	474566	98952	271364	337772	549454	278358	237034	96145	364874	253198	1777	352870	284324	Lipid	0.3888889	1.4444444	0.0
6	C18 H26 O7	355.17514	355.17572	-0.113708556	355.17508	23290	38569	32136	16228	16616	13584	18090	63564	12702	12198	18472	31272	18808	8170	20950	23436	41068	14454	26836	20794	18542	39244	38648	66820	31164	9442	19334	24924	25446	47848	24577	24070	39596	17970	15756	22718	45080	19250	56572	11204	14050	19692	1982	1636	1662	19598	22614	1388	23942	22274	21166	23440	7822	1978	40932	24500	10550	26352	46868	42060	58460	7928	9318	10226	8346	20380	11194	26978	14064	13220	13128	24128	31960	57784	16168	55296	1604	34602	48124	11564	21412	17526	42364	8442	33704	11288	40376	12076	13912	30664	79982	40270	25525	23058	15778	2598	35632	20064	19844	14352	48471	48316	31728	53512	0	21688	12284	2090	19352	22624	Lipid	0.3888889	1.4444444	0.0
8	C18 H26 O7	355.17514	355.17575	-0.11142646	355.17508	71096	28466	23677	28398	25172	24238	61236	44111	36390	45878	24702	50936	34034	10829	63182	45093	35796	29020	27126	30482	55654	30957	33853	44615	25388	28882	31088	19403	40364	72642	62070	71132	61448	42902	26587	76316	30694	53902	46142	38858	21297	18531	1126	886	1397	63302	31767	759	36965	83928	61524	29350	16830	1217	56208	18441	16226	34654	29205	25003	50370	15170	39826	41440	12483	34200	16259	41872	13689	17711	20085	29913	54290	78254	51834	37183	731	24669	78030	14855	31340	44872	62118	32694	19464	15805	32547	11789	18280	40308	19420	34503	83430	28832	29514	1378	61284	68626	17327	48180	24055	34843	23008	79630	18777	55254	21635	751	29096	20323	Lipid	0.3888889	1.4444444	0.0
14	C18 H26 O7	355.17514	355.1756	-0.03147813	355.1751	1550280	1510496	1463612	1466980	467752	471112	1552836	1717156	521364	1139396	412794	1130536	609596	317946	1415042	1938744	902624	1300336	1484632	1557452	1349092	752680	1461616	1897236	1365004	512124	1390284	456100	1775036	1741408	1487464	970006	1989999	1386232	1344052	1866416	1734330	1193752	1867935	1021488	492434	1074284	22376	4322	4916	595358	583814	3788	1770776	1493952	1493128	1340992	983712	7806	799284	527766	829280	2008680	661622	567422	877998	658012	646234	595318	734004	1163008	1025068	904770	369624	605434	559496	1317048	1502000	1703496	1692424	1602044	3314	1136864	827826	410842	1277528	884996	875494	556264	604312	448138	1673328	905092	1157772	987416	1342424	1462196	2087660	355762	991692	13654	1503584	1549892	411560	638936	692300	1790432	1095896	1670652	431180	1572772	479484	5076	1315288	564460	Lipid	0.3888889	1.4444444	0.0
18	C18 H26 O7	355.17514	355.17557	0.029189818	355.17514	787667	782331	765402	719971	627815	626115	673247	860730	701758	1012969	489570	449761	1029312	452805	710073	794498	494890	1134737	1233499	1193736	928428	678273	694678	838441	603526	436667	518495	529526	1001868	778870	764525	893673	1143122	815325	986494	869180	1143817	577378	524180	713176	366468	606502	22914	3968	3513	527545	312791	3581	938693	681745	750662	758497	665051	6167	1341265	707908	474988	903203	671107	311496	838815	457799	957155	867640	413289	856044	691893	526924	354439	829886	503431	721637	667826	813467	585456	804045	2628	564873	650806	353866	512394	349126	672854	449545	629037	544524	594539	555628	724086	443704	873578	1033688	910798	329880	587528	7794	793299	783772	502933	606176	654155	1072618	491825	891522	280765	637111	521457	3765	509119	881713	Lipid	0.3888889	1.4444444	0.0
12	C17 H26 O6 N2	355.18637	355.18683	-0.080171034	355.18634	38372	45280	37497	36875	20970	17035	33099	56055	20732	34432	18949	26152	23173	14255	39693	38969	34888	30768	42240	52441	35571	61046	31752	48306	46863	8599	25618	17330	56694	38431	43721	50472	60998	46974	40157	47563	55962	35647	38210	40454	23304	25349	385	0	0	40732	28312	0	47809	38013	38455	36382	27430	0	29621	14806	20279	67803	42739	33975	36558	22813	24479	21108	13694	29887	30092	42914	0	22794	14903	45067	42704	51666	30073	40187	0	30680	25466	0	27588	27259	35044	20169	17762	16497	29769	22119	27433	49820	68227	68063	88371	24917	32702	0	38781	37803	15030	7492	14388	54039	27274	48999	0	53576	15557	0	33578	29783	Lipid	0.3529412	1.5294118	0.11764706
4	C17 H26 O6 N2	355.18637	355.187	-0.020450061	355.18637	37111	39392	39995	37281	22778	23398	20099	47170	28854	34423	12272	19127	36602	12640	33918	41219	24979	37815	42844	44206	36912	59943	33300	47262	37634	9194	20927	11545	43935	31571	39019	39770	55391	32264	55416	41913	52738	27141	31118	37129	23915	21933	0	0	0	34994	24860	0	45469	36807	39382	32989	25906	0	46454	14969	13214	53859	30451	12011	46029	21288	35220	30113	11238	31999	25174	25640	8351	22507	14221	40376	33196	36906	19922	31282	0	28085	26854	18213	19721	16010	22675	13970	23674	19720	26412	18967	24391	33786	65734	79237	82761	20480	32115	0	38209	42859	18596	20873	17166	46621	22049	63407	18042	39119	19656	0	22482	41250	Lipid	0.3529412	1.5294118	0.11764706
6	C17 H26 O6 N2	355.18637	355.18692	-0.056912377	355.18634	48018	46658	44752	43509	25795	27683	29805	59532	35162	50590	16929	21816	41043	13677	44321	56657	27263	44043	56929	63083	48576	70402	33443	64895	39492	10742	25277	18325	53557	47408	54324	57893	73531	48072	67835	48419	69622	30527	36343	51045	28950	24179	0	0	0	51823	35408	0	70203	49850	48492	47007	30055	0	51401	15073	13405	61549	34566	17081	59657	25686	38561	28877	10824	34707	34502	32809	10519	29590	20889	47608	48645	44863	21563	40748	0	31727	25078	21115	23727	20574	25048	19386	18328	19680	31763	25741	31415	49438	81987	102568	98765	23455	40181	0	52996	45063	14234	16510	19065	66982	25086	75297	13965	53177	17472	0	28750	51081	Lipid	0.3529412	1.5294118	0.11764706
2	C17 H26 O6 N2	355.18637	355.187	-0.055825576	355.18634	28709	27467	24185	26998	15786	19394	18812	34256	16126	18684	9819	18379	22486	8493	24863	21443	21930	22198	25733	28905	27813	38000	21323	31253	19166	3851	12422	9441	34824	22044	30336	27321	40197	24800	28562	27695	35565	18450	27067	24900	19029	16107	0	0	0	18785	16086	0	32329	22747	24934	25517	17135	0	26745	9543	9124	36114	17771	12270	21193	11913	18316	19381	7417	18967	20254	31405	5797	14966	9515	30090	28096	29248	11062	23707	0	20090	21617	15471	17176	10173	13969	9088	11417	11212	22516	16728	16850	40002	35855	48826	58014	16306	19742	0	27661	26422	11707	11170	13131	28277	16315	32905	11091	32026	11763	0	17352	24836	Lipid	0.3529412	1.5294118	0.11764706
14	C17 H26 O6 N2	355.18637	355.18683	-0.08294326	355.18634	39227	40314	42997	40277	20938	24277	29858	45743	19339	30061	13329	20809	18807	14262	31237	47252	30365	34312	29781	40779	32998	57819	31278	52574	48530	6076	27830	21077	44936	36954	45500	49901	55748	40858	44700	44916	56413	33333	31179	40271	19209	29828	0	0	0	42009	19657	0	43170	33967	37797	38750	21616	0	29073	13174	23825	51470	45620	21153	53873	20301	19556	20847	13703	24170	26418	37649	0	19103	8226	45185	40643	46101	35909	41086	0	34727	28448	16333	25679	25735	37711	19513	13772	15386	33156	25624	28790	56299	66372	79465	85646	19439	31303	0	37589	36157	12773	17397	18494	48014	26915	45841	16103	50035	17906	0	35351	26611	Lipid	0.3529412	1.5294118	0.11764706
18	C17 H26 O6 N2	355.18637	355.1868	0.039971158	355.18637	10804	14044	11387	8704	7736	7546	6697	11182	4248	0	4092	8205	7301	6185	9265	12908	9531	8256	11024	7689	5328	9478	8500	14079	13465	3286	6754	4120	11813	11560	14168	14580	15683	14855	4552	16431	18152	8513	9971	7982	3842	6078	455	0	0	5268	3367	0	11588	10912	8881	6468	7534	0	5154	4662	6080	18497	10513	2134	22406	4240	5703	6004	3503	9702	6762	12071	1759	2606	1697	15298	10634	11437	8846	10285	0	5707	9038	8378	6353	3969	5876	1768	3627	5980	10449	9958	7046	21544	26926	27963	28035	2580	11999	0	7952	8784	2605	5934	5258	14647	6269	12780	3105	16921	5896	0	14394	5169	Lipid	0.3529412	1.5294118	0.11764706
12	C22 H26 O4	355.1904	355.19086	-0.08698654	355.19037	15595	20769	13850	14350	3575	5253	12807	15570	5347	6558	7582	12228	3892	3302	10363	17985	19755	5081	7690	8803	7160	14984	10595	15003	8918	9898	26710	0	9898	16584	9377	12872	8489	6483	7354	14043	12334	12839	21986	6811	11055	6591	802	629	876	6406	9124	1216	16640	18960	14960	16015	4004	501	8698	6002	7080	15846	10069	15845	0	3376	4403	5298	3884	6741	4313	24316	0	12604	8762	7731	9123	12705	19498	14844	616	7242	16900	0	12397	12625	9559	5943	8757	6334	15274	5653	6641	28280	20129	12512	11247	4711	10433	1180	11424	15771	7130	9957	10734	13711	9526	15666	0	9722	7993	578	17245	5878	Phytochemical	0.18181819	1.1818181	0.0
14	C22 H26 O4	355.1904	355.19083	-0.0782651	355.19037	36333	40419	39185	37893	22688	12366	44173	39280	24876	26271	23171	31391	14244	12300	34705	40243	58783	12841	19197	27701	22892	29266	31123	34883	31504	35170	46036	24056	27279	37520	33391	43363	38513	22461	29390	40048	24681	31979	67861	25037	37293	20022	0	657	905	25862	31950	1241	38022	37805	38894	37302	19780	378	23736	19910	21451	42099	25514	36144	39270	17899	18233	15609	18526	14578	17784	67612	27008	39452	43657	24251	26603	38498	50596	39425	548	29145	49076	29888	46452	24310	41102	23973	30428	18640	48671	15018	25354	78936	28160	30725	44946	20656	25477	892	35875	33554	22427	33578	28566	37333	29766	39767	19382	36034	21862	641	43946	14667	Phytochemical	0.18181819	1.1818181	0.0
22	C22 H26 O4	355.1904	355.1908	0.045276828	355.1904	458571	459543	382504	413816	387365	284035	268347	421102	296416	518515	556940	290248	275710	266149	321515	528124	518865	389024	425944	647611	713478	429299	325075	464776	335758	1478457	269295	496260	422929	414120	368984	435943	489474	393972	499501	441177	469020	287088	494247	489343	651156	304472	13669	3499	1860	338748	401974	4632	447864	394342	428538	415009	336831	3124	288988	283191	239151	498875	281751	371180	483516	336077	301596	251933	204981	348908	365805	540608	1142344	1233029	1591758	348657	330384	337730	405835	431284	1784	283793	425052	341528	321589	260662	323749	390235	370483	267518	440080	362979	355350	538018	422026	422308	533143	379112	447104	5458	397307	448569	267392	327541	308770	551658	297602	509337	252326	439322	303239	3981	342028	324280	Phytochemical	0.18181819	1.1818181	0.0
20	C22 H26 O4	355.1904	355.1908	0.027861992	355.1904	341450	391710	333242	307784	308164	207673	254739	342845	219188	328118	312316	277221	225886	194306	272374	459073	496670	263716	348060	428675	455698	310939	244627	383341	238127	849774	284296	289114	318239	335147	267587	327285	363196	281682	332636	324339	357492	238923	479754	330293	472243	261341	7690	3405	1496	255127	326851	3228	350400	290457	331629	352917	260078	2771	232124	232888	206141	381322	238118	335238	348661	213326	230536	206234	179910	276417	238127	493387	629814	724614	1092126	266175	275763	297235	443751	321430	1315	228315	392962	283006	286725	171816	281843	294946	308696	235369	408655	272048	264018	523208	348742	323435	415172	256826	295269	2996	358550	343236	227437	298532	316680	402556	252628	404931	196848	339941	247017	2567	295008	253012	Phytochemical	0.18181819	1.1818181	0.0
18	C22 H26 O4	355.1904	355.1908	-0.012692283	355.19037	199288	212527	177182	175148	145756	113245	179593	202079	118623	168856	162859	152942	131270	103994	156824	248818	307936	139219	192260	202892	233863	165742	149512	201676	134420	358375	183415	153454	179522	192589	169293	191941	209297	157170	177333	189315	179256	153543	328703	144550	242339	127368	4992	1367	1185	128216	147558	2108	199082	187360	188879	191581	144899	1701	133517	152201	110385	226521	118605	202873	192857	112300	145530	109241	92824	143926	122854	355733	282546	320322	459438	125196	122101	178964	263849	212878	1010	116234	242248	160524	190873	124519	154075	133224	188196	140511	248982	137752	146173	348835	187189	183600	256391	123992	165377	2011	194525	182656	126460	178847	187299	214549	134279	197926	78753	164499	120834	1453	187473	111329	Phytochemical	0.18181819	1.1818181	0.0
10	C15 H30 O9	355.19626	355.197	0.048034832	355.1963	2464	0	3344	2499	1667	1133	1529	0	0	0	6272	1123	2520	0	1203	0	0	0	0	0	1601	2143	1682	1732	979	0	3044	5362	2101	1182	0	1611	1568	2709	0	1279	2073	0	0	0	4017	1094	4530	2409	2636	0	0	2607	1753	0	0	0	0	3754	1688	2199	0	2128	6146	3021	0	4976	10056	0	0	4149	0	0	0	0	0	2635	1649	1059	1368	0	4594	0	2216	9459	0	0	0	0	1203	1794	1059	0	0	3916	7938	3754	4794	3565	4395	2662	2358	0	0	1795	0	0	0	0	54793	1098	2197	2289	2198	1716	Lipid	0.6	2.0	0.0
12	C15 H30 O9	355.19626	355.19675	0.02417072	355.19626	416262	299370	380124	389480	13084	5102	22930	0	10776	51870	456024	0	0	13708	1456	11084	0	0	0	18368	12752	31498	0	0	3864	0	101718	964484	5112	5394	0	0	0	1444	11958	1167	0	7290	0	317782	177964	0	37240	1838	2958	291770	539232	7444	0	0	429466	413926	4062	6998	7402	2114	10242	14600	1608872	0	689806	1004906	32324	5246	18844	32066	32232	0	103136	60908	46326	10484	3082	4808	4196	0	4306	0	0	445292	4992	28548	11206	8568	0	11140	0	7932	1310	0	62783	54454	10538	167710	111392	1882	439324	247670	10960	0	5886	0	0	60884	23557024	0	8294	7600	4444	7462	Lipid	0.6	2.0	0.0
14	C15 H30 O9	355.19626	355.19763	0.17569037	355.19632	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	343	0	0	0	0	0	0	0	0	464	0	0	0	0	23743	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	415	0	0	0	0	0	0	0	1065	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61263	0	0	0	0	0	Lipid	0.6	2.0	0.0
6	C16 H26 O5 N4	355.1976	355.19815	-0.08483356	355.19757	4247	3602	3711	5114	2686	4145	2755	6562	2049	1730	881	2396	1541	1582	3983	6183	3685	2999	2805	2157	2102	6623	3673	8992	5884	0	3358	0	4755	4988	4953	7101	7262	6144	2515	4478	6112	4068	4197	2280	1077	1770	0	0	0	2753	0	0	8708	5848	3836	5387	2041	0	2956	1179	975	7639	1152	976	6827	0	3466	1215	1008	3203	2260	4689	0	0	0	5454	4612	5056	3769	4740	0	2733	4159	13187	2533	557	1221	0	1811	1563	4025	3321	3414	9442	22376	11238	9987	3008	2553	0	4926	2984	975	1330	1447	6141	2877	3159	0	5573	1974	0	4300	3062	Peptide	0.3125	1.625	0.25
4	C16 H26 O5 N4	355.1976	355.19818	-0.12787211	355.19754	4076	4436	5018	4537	1717	2130	3374	6456	2074	1792	1783	3670	2201	1063	5123	6360	5901	2815	3620	1506	2170	4905	4753	6277	5226	0	3785	4159	4875	4876	4335	5566	7479	3547	3741	5833	5807	4928	5932	1949	2223	1840	0	0	0	2911	1916	0	5949	4757	4976	5111	1775	0	2395	481	1339	7871	1366	1329	6581	1467	1991	1530	0	2214	1664	7242	0	0	0	4785	4574	6033	4305	5018	0	3362	5489	19489	4102	534	2392	1159	805	1562	5804	2421	2598	8536	22339	12564	14574	1846	2130	0	3292	4894	1296	708	1480	5430	2691	6195	0	5273	963	0	5032	2212	Peptide	0.3125	1.625	0.25
2	C16 H26 O5 N4	355.1976	355.1982	-0.100962244	355.19757	8116	7636	8877	7554	3997	0	3947	8258	4215	3109	5113	3722	4621	2112	6007	2615	9621	4445	4804	2839	3108	6533	5560	8393	5735	0	2001	25668	9352	4815	6087	5894	10285	6644	5071	7442	7476	5383	9301	2368	2096	4098	0	0	0	2772	1666	0	6817	4414	7016	10207	3582	0	4490	1692	2028	7701	2079	1237	4087	971	2204	3038	0	4640	4158	11185	0	903	853	6201	6248	5107	1883	5845	0	4537	5033	65380	5168	1270	1498	551	1980	2716	7346	4452	3312	16235	119445	61952	18272	10878	1070	0	8147	9031	2663	1819	1686	6142	4561	3379	929	8961	2904	0	5321	4955	Peptide	0.3125	1.625	0.25
22	C19 H30 O6	355.21152	355.21194	0.011585655	355.21152	133479	147389	128427	148974	134698	129386	314124	157945	106962	126918	72867	76818	152942	152274	125232	144223	114277	192679	180329	146009	118073	97168	93136	116461	135034	63885	264426	136679	236270	177457	162641	215691	238332	197014	131695	211072	234860	112070	115677	83894	50110	126440	14029	0	1751	94870	58841	0	221125	124398	143309	138455	140299	6519	186495	111086	95409	188550	107404	61892	154446	50167	182556	125300	105332	224445	222540	115509	24939	73153	49261	158881	167484	164857	115598	186317	796	111777	91086	114186	67327	90396	276076	163355	116339	120879	120124	109785	147834	87993	257690	255737	143149	69924	86767	0	129877	157083	90241	131412	131552	240884	98156	162368	165204	131708	95174	0	93884	161620	Lipid	0.31578946	1.5789474	0.0
18	C19 H30 O6	355.21152	355.2119	-0.054249384	355.2115	70664	67863	72194	62528	49543	45252	208819	79812	35323	27473	30249	40188	65091	58051	56079	84735	96943	60850	66893	39851	32632	40980	43006	55152	54652	65798	171224	38997	92738	86079	64150	87476	96268	70766	40713	98107	91252	51203	95174	27256	24896	50770	4980	0	293	39830	29550	0	90748	61870	75561	57551	51803	1520	64668	54189	42906	93465	36371	41277	84429	15562	66452	49783	57632	77076	70982	99468	16388	23825	24659	57491	58298	85976	97540	93174	0	42871	66709	60131	41386	33529	305155	222868	66058	54737	83657	47753	58175	94074	79789	81487	86547	26702	39973	1396	68489	72204	42453	86570	105800	96950	40643	59186	25994	61700	48787	417	57929	45226	Lipid	0.31578946	1.5789474	0.0
16	C16 H34 O6 S1	355.21487	355.21542	-0.44616958	355.21472	0	0	0	0	0	0	0	0	0	7654	5792	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1999	0	0	0	0	0	2189	0	1135	0	0	0	0	0	0	0	0	1428	0	0	0	0	0	0	101399	6803	0	6759	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4402	0	0	0	0	0	0	0	0	0	0	1236	0	0	0	2286	0	0	0	0	0	25480	110745	0	0	0	0	0	Organosulfur	0.375	2.125	0.0
6	C18 H30 O5 N2	355.22275	355.2233	-0.07571637	355.22272	10436	8472	9099	9072	4614	4887	6965	13009	3278	6683	2236	4629	4832	2484	8001	18559	4563	6979	7733	6792	7003	11421	7294	16981	12911	822	5587	0	9665	9283	7102	11213	12822	9663	7826	11081	13493	5567	8348	3821	1448	5644	0	0	0	6211	2329	0	12358	6734	10202	8328	5588	0	6013	1733	2920	17720	0	812	14221	3079	4286	4040	2480	4700	7048	9858	0	6404	2559	6977	5011	6810	8296	8259	0	6391	5007	0	3090	540	1514	3106	2817	2823	11361	5573	6375	22099	18772	13236	23131	4448	5814	0	8958	6585	2928	970	1726	14121	4469	12128	0	10441	3628	0	8028	4746	Lipid	0.2777778	1.6666666	0.11111111
8	C18 H30 O5 N2	355.22275	355.22324	-0.072447985	355.22272	5827	10985	5393	9880	2098	4362	4868	8862	2103	4715	2233	4280	3638	1695	8644	12364	8052	3063	6037	7897	4616	7944	5984	10758	14491	687	5488	0	12988	7749	7444	13940	11502	7506	8354	8746	13241	6534	9738	4113	1133	5424	0	0	0	5273	2225	0	13242	7118	7867	6446	4525	0	2722	838	2204	16919	0	0	10795	1133	2627	1441	1527	4884	5631	10223	0	2843	0	5418	7585	6168	9641	6711	0	4104	6723	0	3857	0	790	2499	1037	0	11519	5883	10228	16292	38160	11792	20971	3534	2040	0	6363	6280	1488	1545	0	10025	3847	9074	0	9944	0	0	8805	3025	Lipid	0.2777778	1.6666666	0.11111111
28	C21 H31 O3 Na1	355.22437	355.2244	-0.035214685	355.22437	0	0	0	0	0	0	0	0	0	0	1516	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1056	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20949	0	0	0	0	0	0	0	0	0	0	10377	11314	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.14285715	1.4761904	0.0
24	C21 H31 O3 Na1	355.22437	355.22467	0.2832438	355.22446	0	0	0	1588	0	0	0	0	0	1626	0	0	0	0	0	0	0	0	0	0	0	2030	0	0	0	0	0	1171	0	0	0	2099	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2342	0	0	1555	0	0	0	0	0	0	0	1402	0	0	0	0	0	0	0	1903	2061	5884	1803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	979	0	0	0	0	0	1024	96002	0	0	0	0	0	0	Lipid	0.14285715	1.4761904	0.0
22	C23 H30 O3	355.22678	355.2272	0.018203434	355.22678	129101	145337	120470	113097	130806	69120	116264	119142	102010	123043	142526	87609	79476	98386	111742	176746	253108	99454	155558	134088	151369	96208	96779	119174	120409	274951	141560	124636	122778	133661	91330	138003	139767	96362	128828	141720	134174	110773	249894	88321	147037	104100	4147	0	1058	67286	102699	0	125602	122015	133061	121505	120134	1295	108924	139205	94473	169953	69978	106688	123462	65993	91096	83702	92022	111129	101501	271120	206936	210748	322119	73387	95154	113406	184480	135985	1121	79407	160497	99528	110505	71244	103805	95581	178402	126143	197439	110014	114350	241656	146420	132283	132377	94673	112838	0	114541	127290	102364	187292	182525	173304	86135	122755	64836	114746	140499	0	135040	87118	Phytochemical	0.13043478	1.3043479	0.0
20	C23 H30 O3	355.22678	355.22717	-0.001577263	355.22678	57034	57861	52146	53687	47766	25773	57512	46493	53185	36887	46097	41561	33571	39926	38751	73108	113824	36774	65305	41652	43665	39562	34831	44025	43971	79510	69245	46388	42332	51503	39549	52244	67597	28389	50170	55339	48128	43876	111499	32266	56856	36800	0	2010	0	25731	40771	0	48280	46223	52421	56932	50271	1114	45834	70296	45904	61349	30308	56073	44379	22332	38122	36371	44092	39041	40959	123804	58388	59908	99741	25270	34235	52398	97485	57610	1389	32274	69699	52928	46472	25254	44482	34215	82321	55667	93257	38315	42658	116861	58645	41818	56202	35027	31537	1688	52486	57723	51340	102975	103693	73113	44536	48213	23879	42981	62227	2057	55240	35136	Phytochemical	0.13043478	1.3043479	0.0
28	C23 H30 O3	355.22678	355.22717	0.070360884	355.2268	30650	27424	27752	24982	44160	15360	23918	32612	26462	19539	33166	16297	29756	24778	22027	46490	32709	35674	45901	28763	24682	27947	23080	28888	37263	83131	25688	47984	44041	39506	30146	100120	40454	25399	27363	44407	30719	24355	29753	26136	23870	27791	5252	3371	0	19636	15395	2365	30550	29059	28002	29572	27929	0	32239	33994	20810	41815	29734	15200	33422	19926	18301	21689	21104	36739	41468	30931	67557	38966	45536	19012	23102	38061	18975	29236	0	21404	34801	142177	19826	21432	25089	30412	39327	22301	48065	19679	21847	37228	26889	32934	34322	68489	23026	2141	31600	33918	24462	43497	59094	50684	18753	35284	24055	30844	34891	2655	28857	17692	Phytochemical	0.13043478	1.3043479	0.0
24	C23 H30 O3	355.22678	355.22714	0.049191684	355.22678	201152	226558	182569	196516	223139	117534	155784	196361	160052	191284	261631	127157	165823	145869	164886	277857	358216	173045	301280	237434	246818	157320	142278	186808	186915	607215	173198	247454	205776	214281	162827	234959	232929	170447	212228	232512	219244	141859	387112	187310	240194	163038	7278	0	0	121731	164489	2213	217078	188458	199686	194471	186045	0	189030	182502	131650	252174	139349	142451	241843	129979	142355	126420	117206	172003	204781	388762	384135	351099	527498	129197	154504	197032	233243	212769	0	149308	201481	197868	157516	128430	169160	156260	241668	180160	249757	149915	191960	266068	194842	188294	215299	181151	193346	3513	198608	220652	156652	239699	251832	300605	132459	222828	124716	204639	193442	0	183804	144031	Phytochemical	0.13043478	1.3043479	0.0
12	C16 H34 O8	355.23264	355.2332	0.113868855	355.2327	145973	135088	155927	152506	85289	86080	87850	115049	110992	207711	343130	72050	99150	91429	55332	120517	88294	82175	52249	98479	88012	153425	54570	62250	75295	68561	68365	64766	67484	73892	92326	135755	128899	103824	173836	68243	137133	82159	107182	178718	172295	76712	158750	165630	123917	154636	224108	164156	164756	89410	158570	153753	129062	199892	73257	82512	114481	105443	296852	123579	44903	228495	157631	83881	94213	139331	89275	98970	36789	118527	128514	134073	98686	83550	81961	110516	108261	85229	66123	46534	80967	109866	85825	70363	83076	81649	70344	150967	76055	113840	162082	114462	105682	134585	131336	156528	147039	104528	137496	93907	62430	99826	90834	140455	1973068	125839	60319	166803	84597	117822	Lipid	0.5	2.125	0.0
20	C27 H30	355.24203	355.24295	0.3754506	355.24216	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1604	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1504	0	0	0	0	0	0	0	5261	0	0	0	0	16231	3099	0	0	0	0	0	0	0	0	0	0	0	0	0	2491	1610	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7998	28866	0	0	0	0	0	Phytochemical	0.0	1.1111112	0.0
22	C24 H34 S1	355.2454	355.24573	-0.07482794	355.24536	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1674	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26765	0	0	0	0	0	0	0	0	0	0	4106	0	0	1432	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.4166666	0.0
28	C20 H34 O5	355.2479	355.24835	0.1292686	355.24796	6008	4229	4027	3904	1787	2802	15653	3328	2332	2484	6929	2289	5858	4879	5067	5475	4887	2929	4223	3380	0	1918	3642	3893	5336	3005	13437	21387	5068	4652	2459	3064	3768	2915	2152	4888	3388	2763	2622	3348	2873	4186	2802	1616	3091	3708	4080	1145	4088	4827	3961	2484	3817	3919	4509	2114	2569	3122	12588	3351	6127	7378	2814	1930	4134	5612	5804	3715	2641	2010	1146	2438	3726	5008	2934	2984	0	1538	3551	13131	2554	6091	6135	3035	4760	4467	6081	2019	2733	3249	17850	17591	5769	5398	2404	1972	3149	4493	3121	4296	3432	5379	1870	4990	32667	2614	2485	1294	3589	2164	Lipid	0.25	1.7	0.0
20	C20 H34 O5	355.2479	355.2483	0.03601622	355.24792	6198	6546	5419	3855	3190	5011	45489	5505	0	3607	2721	2361	3211	6708	2056	11925	9165	0	2177	0	0	1860	2490	8143	4356	4291	35379	11396	2638	5198	2514	6949	2194	3307	0	9443	3470	2665	9571	0	0	2777	773	0	0	0	0	0	2896	5654	5789	6940	2437	0	2194	2404	4379	7805	0	1064	8807	0	3228	0	9941	4341	7680	11884	0	0	0	4415	5521	16617	15568	3531	0	2110	1778	13469	1848	2862	54613	52507	5887	9637	10702	1882	2327	25245	76103	47958	5922	2432	0	0	5003	5714	2640	4939	8043	4355	1278	0	2317	4583	6905	0	5924	0	Lipid	0.25	1.7	0.0
24	C20 H34 O5	355.2479	355.2483	-0.008178651	355.2479	43096	35140	40283	35003	25386	16980	458100	25628	11888	12860	26799	13569	21894	138660	14295	33164	35932	18067	20856	15999	13746	18456	11280	18026	20831	34380	405660	77902	25794	25941	15749	26215	38620	24307	11726	30044	33890	17638	41514	6477	24719	19120	10511	0	0	17955	28033	0	34079	23287	41292	38604	21811	5253	10730	17334	19039	37962	18681	28972	52463	12378	58026	10593	80669	66433	60521	32120	5669	11091	18385	20171	22370	32710	21448	22045	0	12237	15875	103977	6984	36704	144464	136599	16884	26599	31835	21145	21355	46686	134266	153341	35271	26062	19112	0	44847	43610	16197	11522	19336	51486	13800	32774	45127	26477	16119	0	17677	25205	Lipid	0.25	1.7	0.0
18	C20 H34 O5	355.2479	355.2483	0.055621523	355.24792	1665	1592	2488	0	0	0	3765	0	0	0	0	0	0	0	0	2625	3570	0	0	0	0	0	0	1482	2188	0	5052	0	0	5145	1745	3515	0	0	0	6074	0	1439	3170	0	0	0	0	0	0	0	0	0	1579	1799	0	0	0	0	0	0	0	1316	0	0	1768	0	0	0	1254	0	2583	6974	0	0	0	7806	6479	25379	5767	0	0	0	1760	1789	0	0	8980	5907	0	1991	2947	0	0	11322	5292	0	0	0	0	0	1863	0	0	0	2565	0	0	0	0	0	0	0	2141	0	Lipid	0.25	1.7	0.0
22	C20 H34 O5	355.2479	355.24835	0.06203779	355.24792	12270	14850	13903	19163	10688	6615	214541	15304	2928	3744	7702	5156	5127	51534	5482	16404	24650	6315	2518	5246	0	5208	5233	6505	7083	27190	208328	24154	8136	10062	5757	13703	13078	10757	0	15123	10226	6533	29464	0	7070	7459	2762	0	299	4586	7201	0	11543	12756	14308	17247	5070	865	3783	4317	7097	15013	3186	9194	24751	1785	18811	2469	35910	25277	27856	29236	0	5368	4707	9874	10421	10891	18274	16286	366	3967	6462	51868	5120	13068	128019	124091	6389	13740	22009	7316	8466	39057	47761	39011	14850	10067	4129	0	15600	15903	6062	2926	9331	10266	3493	9542	6236	9376	8122	0	10369	8643	Lipid	0.25	1.7	0.0
24	C19 H34 O4 N2	355.25912	355.25946	0.014820699	355.25912	2265	4178	2482	3095	4817	0	0	1501	1092	43992	0	0	1500	20160	0	2242	0	0	0	2668	0	0	0	0	0	0	0	0	0	19474	0	1408	0	1070	0	34326	0	0	0	4391	0	0	31338	0	0	0	0	0	2944	4731	1168	2585	0	0	1174	0	1759	4800	2725	943	1944	0	0	0	0	7309	0	0	0	0	0	30772	4228	1571	0	1929	0	0	0	0	0	0	0	0	0	0	0	1195	0	0	14947	0	289074	0	2016	0	3313	3592	1555	0	0	12019	0	0	0	1164	1289	0	0	2052	Lipid	0.21052632	1.7894737	0.10526316
20	C19 H34 O4 N2	355.25912	355.25946	-0.086830676	355.2591	2413	2898	0	0	0	0	0	0	0	8420	4164	0	0	3449	0	3120	6521	0	0	0	0	0	0	0	0	0	0	0	0	2073	0	0	0	1476	0	3252	0	0	1379	0	0	0	15296	0	0	0	0	0	3059	2113	2757	0	0	0	0	0	6199	0	0	4950	1469	0	0	0	2058	2677	0	38163	0	0	0	1328	0	0	4519	5135	0	0	0	2629	5183	2148	0	0	0	2941	0	0	0	168830	5708	0	34573	0	0	0	1593	1820	8557	0	8781	0	0	0	0	0	6214	0	0	1766	Lipid	0.21052632	1.7894737	0.10526316
22	C24 H34 O2	355.26315	355.26352	0.016738484	355.26315	5037	6604	4412	4324	3386	3043	13433	2383	6284	0	2240	4755	0	5680	5163	9387	31895	3195	4792	0	1852	1609	4395	1947	9591	3356	12978	3702	4977	6065	3629	4737	6956	2580	2216	6705	4541	6807	32700	1302	2411	6364	0	0	0	0	2894	0	5869	3708	3827	6219	6144	0	3471	4560	5483	6077	1295	6576	5894	0	4141	2526	7331	4154	6892	34712	2191	1951	0	1236	1828	3869	17007	9018	0	2467	13028	2764	8167	0	4150	3890	10115	9370	25513	4869	5563	46190	3985	0	4159	2417	0	0	4370	5268	4582	11823	7475	8328	4484	2488	0	1371	5751	0	10764	2236	Lipid	0.083333336	1.4166666	0.0
28	C24 H34 O2	355.26315	355.2636	0.08195644	355.26318	11897	11765	11914	14337	13082	4614	21465	9358	13427	3531	11818	10463	7833	12503	13394	14296	30243	9112	23369	6391	5651	6026	10662	9066	27685	22526	19883	17417	18012	18891	9363	17482	16461	9011	6365	22672	12722	17002	31019	5568	8116	14210	0	0	0	7011	6903	0	13010	13014	13589	12155	17061	0	15246	16826	11740	19589	9518	8533	12247	5412	5109	11359	13559	13366	22369	37499	18352	6233	10135	6469	7964	17282	12373	13485	0	9804	27573	20969	13221	12292	15235	10779	35210	24529	59743	10729	15212	34765	13230	17124	13888	13962	5026	0	15374	13677	12849	31588	39706	23233	8185	14415	11019	15394	24674	0	22290	7202	Lipid	0.083333336	1.4166666	0.0
24	C24 H34 O2	355.26315	355.26355	0.022115018	355.26315	22144	26469	21932	24814	19151	9322	42952	17306	20074	5425	17819	14838	9086	16943	22301	36085	81362	15597	32384	6988	8846	9560	16373	14283	32032	29505	44601	20252	22706	27058	15397	27586	24454	10689	9731	28490	23309	24968	77286	8501	17147	15909	0	0	0	10998	17829	0	23268	22289	29610	23897	22691	0	16670	18560	20087	33479	10884	21871	23636	4039	15216	12444	22852	15759	30522	85803	17013	15449	21814	9121	13245	23673	42544	25372	0	12528	44096	17431	24806	16064	21785	20911	31237	31566	70045	20343	22409	105335	20899	18912	23544	12408	9294	0	24299	23081	21135	32504	34105	36019	16698	19417	7781	20310	27529	0	37386	7580	Lipid	0.083333336	1.4166666	0.0
26	C21 H38 O4	355.28427	355.2847	0.06958812	355.2843	86396	85148	90120	90106	25426	75431	1426285	20684	9622	17314	206756	20457	14172	1761187	15448	12366	26619	14362	59627	17372	12766	18407	14031	9337	17443	294903	1684377	152630	18047	14627	11060	8999	11496	16511	15509	20428	11618	32886	42091	20597	61513	108572	13045	7519	0	41795	38856	8058	14619	18487	85961	74259	30634	0	8206	254206	145893	13331	23796	115007	291632	39335	267049	9304	1719137	19778	202174	44425	143027	50450	44875	13198	13272	23426	9343	20401	0	14660	17358	128296	20766	137922	220797	242710	65413	59659	15772	43905	55941	21607	65484	43836	27921	45253	28464	9394	94641	96263	352449	72659	367145	13000	19632	190054	58728	17264	139887	8175	26652	108491	Lipid	0.1904762	1.8095238	0.0
24	C21 H38 O4	355.28427	355.28464	-0.02535394	355.28427	2713	3369	5036	5690	880	1310	151995	0	0	0	4082	1122	0	39809	0	1593	2402	0	0	0	0	0	0	0	0	13664	139225	13347	1514	1551	0	1041	0	0	0	0	0	1707	2936	0	3914	0	0	0	0	0	2224	0	1059	0	3223	4667	0	0	0	4306	4289	1237	869	6128	2259	0	9763	0	40837	2134	3118	2588	2354	2245	2734	0	961	1466	0	0	0	0	0	18647	0	3139	30851	44308	4112	5902	1285	0	1153	0	16425	15873	1536	1575	1682	0	4074	4674	4858	3773	7233	0	781	2669	1911	0	7496	0	0	1289	Lipid	0.1904762	1.8095238	0.0
28	C25 H38 O1	355.29953	355.2999	0.08924394	355.29956	912	0	0	0	0	0	2394	3037	0	0	951	1279	0	0	0	2096	4599	0	0	0	0	0	0	0	2752	0	2717	1640	4703	7133	1021	7385	835	973	0	9255	0	2402	4722	0	0	0	0	0	0	0	0	0	3210	6747	0	1039	1108	0	0	0	0	3953	0	0	0	0	0	0	0	0	1071	4886	0	0	0	0	0	2348	6113	3144	0	1200	9028	0	1341	0	0	0	0	0	68311	0	0	47855	950	938	0	0	0	0	0	0	0	0	0	2249	0	0	0	0	0	0	4328	0	Lipid	0.04	1.52	0.0
26	C25 H38 O1	355.29953	355.29974	-0.033125166	355.29953	6248	3964	6303	5233	0	0	8225	11015	0	0	0	0	0	0	0	10886	14729	0	0	0	0	0	0	0	5648	0	6624	2441	13012	34525	9529	20194	4032	2292	0	24769	2070	6471	16925	0	0	0	0	0	0	0	0	0	15772	21312	3827	3938	0	0	0	0	0	13697	0	0	7099	0	0	0	0	0	0	18756	0	0	0	0	0	8105	31256	11092	0	0	14803	0	3159	0	2409	0	0	0	153660	0	3797	333176	1982	1581	4110	0	0	0	4046	0	0	0	0	8148	0	0	0	2480	0	0	9110	0	Lipid	0.04	1.52	0.0
24	C25 H38 O1	355.29953	355.29974	0.008807669	355.29956	0	1455	1420	0	0	0	0	2608	0	0	0	0	0	0	0	2501	10543	0	0	0	0	0	0	0	0	0	2060	1315	3440	6177	1519	3672	1117	0	0	1732	0	1545	12050	0	0	0	0	0	0	0	0	0	5933	3345	0	0	0	0	0	0	0	1762	0	0	1182	0	0	0	0	0	0	14502	0	0	0	0	0	0	8089	3917	0	0	1977	0	0	0	0	0	0	0	12467	0	1127	35250	0	0	0	0	0	0	0	1336	0	0	0	2038	741	0	0	0	0	0	2048	0	Lipid	0.04	1.52	0.0
14	C14 H13 O10 N1	356.06122	356.0618	0.15480565	356.06128	0	3190	4054	1869	7837	2819	0	0	13589	0	0	2836	18451	2674	1728	4088	0	7786	5694	0	2399	0	2381	0	0	0	0	0	0	0	0	0	0	0	2312	0	0	0	1690	0	0	6434	0	0	0	0	0	0	0	0	0	0	7325	0	9009	9184	3281	0	0	0	0	0	26871	12871	4177	9893	4752	2562	0	0	0	0	0	0	0	1131	0	0	0	0	1529	0	0	1212	11603	3040	0	7289	4820	0	0	0	0	4179	1775	0	3133	2964	5449	9888	13068	0	1588	0	0	2485	7261	0	0	30780	Phytochemical	0.71428573	0.9285714	0.071428575
12	C14 H13 O10 N1	356.06122	356.0618	0.13445497	356.06128	0	4033	2615	0	8530	3395	0	0	9112	0	0	1657	14020	2573	1665	0	0	5472	10982	0	2648	0	3043	0	0	0	0	0	0	0	0	0	0	0	2138	0	2506	0	0	0	0	4030	0	0	0	0	0	0	0	0	4639	2417	7399	0	9795	9180	3425	0	0	0	0	2418	17998	12602	2831	15184	3429	0	0	0	0	0	0	0	0	0	0	1098	0	0	0	989	0	0	8468	1311	1252	5661	3229	0	0	0	1819	0	1466	0	2092	2237	5602	10701	6518	1879	1440	0	0	2376	5900	0	0	25225	Phytochemical	0.71428573	0.9285714	0.071428575
16	C14 H13 O10 N1	356.06122	356.06174	0.21181998	356.0613	0	1948	1991	0	7467	3572	0	0	7143	0	2199	1911	14590	2314	0	0	1605	8598	6934	0	0	2329	3104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2085	1213	2560	3940	0	0	0	0	0	0	0	0	3454	0	4855	0	5185	6650	2255	0	2050	0	0	1434	12318	6733	2937	9859	4881	0	0	0	0	0	0	0	0	0	0	0	0	0	1439	0	999	0	9892	2560	1670	5343	3210	0	0	0	0	2070	1796	0	0	0	2327	7117	6637	0	1702	0	0	0	4253	0	0	21773	Phytochemical	0.71428573	0.9285714	0.071428575
12	C18 H13 O7 N1	356.07648	356.0771	0.1867397	356.07654	6246	4768	5044	4673	6965	2943	0	0	11039	16407	10927	1010	12353	2541	3772	2772	3026	5216	8357	8732	15875	19271	3043	3498	1816	14739	3061	0	0	982	0	0	3434	0	25287	1672	2332	4145	3350	8535	12328	3081	0	0	0	6172	12031	0	2588	0	4347	4442	5080	0	11101	6122	4933	1458	0	0	0	8818	11633	8336	2660	10341	3822	4371	18782	18490	43262	0	0	0	0	0	0	0	5659	0	4158	5857	1672	7592	11283	4395	6332	3982	3828	7464	0	4778	3621	22114	9459	0	6368	4355	6078	8709	10471	0	1941	0	0	2582	6889	0	2065	14943	Phytochemical	0.3888889	0.7222222	0.055555556
22	C18 H13 O7 N1	356.07648	356.0769	0.02374039	356.07648	5818	7208	6059	4696	4536	4178	2010	1889	6031	11471	7865	2013	4937	0	1952	5147	2692	9319	7997	5989	6945	21145	1994	2897	1597	5699	1947	4172	0	0	3734	0	3722	1399	12037	0	3395	3363	7028	12370	18953	3627	0	0	0	8773	14437	0	1837	1440	4138	5268	5411	469	4695	3805	4178	2065	1173	4011	2135	5616	7952	7806	2183	5912	5439	3631	12806	7148	14283	0	1708	0	1946	1860	421	1787	7098	28289	4841	7516	2858	8802	6248	5285	8216	6805	4782	10322	7390	5450	7948	25704	30642	0	6023	7188	3503	7541	5233	4153	1147	3320	6045	4740	3369	0	4975	6827	Phytochemical	0.3888889	0.7222222	0.055555556
20	C18 H13 O7 N1	356.07648	356.0769	0.094605185	356.0765	11984	13249	9416	13028	9406	5192	2198	2571	11742	16455	17410	5180	9742	6557	2893	6740	7337	13320	14950	5637	11227	33533	3772	7085	3722	11436	5827	9228	2313	0	1895	2968	4285	2562	26848	1633	4830	4024	7698	20650	36400	6915	549	0	0	13739	25626	710	3793	2050	13630	8714	6332	502	12753	7840	5559	9523	4616	7663	5337	12925	11914	8648	3424	10371	7872	7958	17907	13603	26575	4404	3141	1529	3222	3848	283	2451	11957	39476	6756	17906	4731	18568	10585	5270	13743	9722	9735	17529	8351	7870	8792	50000	44886	760	10683	13782	9146	11241	11874	3527	2756	6913	9841	10594	8480	0	6832	13507	Phytochemical	0.3888889	0.7222222	0.055555556
16	C18 H13 O7 N1	356.07648	356.07697	0.09922779	356.0765	14401	13974	11313	15090	14764	8670	3931	4180	14561	34878	26264	5147	20007	7738	3901	7359	8553	13562	13464	23558	31563	44232	12179	5691	5840	32125	4747	13645	2696	4540	2504	0	9298	1353	49563	1931	5622	4438	6874	26881	45774	8476	561	0	0	9606	23731	466	4214	1951	15074	12676	11057	0	13930	10957	8438	7270	3729	7530	8553	18371	20561	14323	5100	21674	9283	7169	37663	38254	59606	3528	1958	0	5875	3311	0	5012	13005	44473	6345	16116	4925	21354	14754	4572	16378	10710	7380	0	13809	12474	0	50384	51429	0	14765	18123	13253	14763	9733	5836	4119	4232	11107	0	9524	0	4588	22369	Phytochemical	0.3888889	0.7222222	0.055555556
14	C18 H13 O7 N1	356.07648	356.077	0.15407014	356.07654	8813	13017	6885	9687	14885	5487	2262	2035	15555	25083	16640	1648	16316	5472	1992	3914	6008	12382	13048	12012	24301	22864	7294	3742	2553	26991	1974	9802	1967	0	2430	0	4178	0	44696	1911	5155	2864	5077	20371	26418	6977	0	0	0	7626	15700	0	2119	3854	11876	10764	8362	0	13150	11150	6954	2680	0	0	0	11363	20576	13810	4497	14333	5493	3608	25461	29165	53713	1757	1083	0	1989	2888	0	2082	9882	26523	6465	12734	3394	11402	12675	4174	11190	4413	8088	11602	7186	7960	10984	30641	30817	0	7800	6634	12941	15437	10470	7940	2454	2497	0	3117	8099	0	4435	18174	Phytochemical	0.3888889	0.7222222	0.055555556
18	C18 H13 O7 N1	356.07648	356.07697	0.08890844	356.0765	15653	14289	12717	11690	13829	5575	3618	3526	13307	36975	25770	2874	16300	7848	4066	8639	5780	16719	16770	17823	21487	36026	4388	8444	8177	17629	5738	12006	5197	3053	2237	4029	7069	0	39249	2438	6666	6302	8382	20535	46329	8682	1073	0	332	17288	23750	547	5921	1560	15649	14863	12864	426	14622	13295	7049	8827	3778	13460	9570	14494	23779	13444	6069	14963	10152	9834	30247	24996	52358	2522	1373	1854	7683	0	275	4592	15578	40378	10851	18003	8566	19577	18391	10199	12769	7882	10616	21822	17646	14390	17476	50818	53275	0	16027	9616	9861	18053	15413	3945	2227	6098	11694	8111	8859	0	7334	20681	Phytochemical	0.3888889	0.7222222	0.055555556
14	C15 H17 O7 N1 S1	356.07986	356.08038	0.17158669	356.07993	12735	16407	12422	14378	10706	13128	4990	4835	10239	39966	24347	4985	17902	4860	5893	7578	5482	14939	17736	28473	27483	50649	8078	9203	10778	13286	4072	13459	6192	2457	3977	0	8789	7387	51368	2312	8977	3389	8949	55034	49054	9375	0	0	0	14207	19797	0	9854	0	12332	15646	9879	0	12144	11329	6230	10943	15727	13356	0	43225	14450	12168	3322	8034	8319	5444	20983	25590	29982	4923	3475	3515	3738	4265	0	3866	7025	27214	3476	14520	11708	25111	8785	6727	7935	11356	7686	12826	41461	42329	24294	36657	62843	0	14416	13224	7164	10605	10696	9452	2452	17628	0	13286	7962	0	5469	21900	Organosulfur	0.46666667	1.1333333	0.06666667
16	C15 H17 O7 N1 S1	356.07986	356.08035	0.1733495	356.07993	13918	11670	12849	14450	11600	11329	5892	3108	11041	32514	15422	2755	14984	3965	3368	7324	7900	16622	10177	16672	17120	41307	4512	9486	6028	10290	3174	11518	2829	2324	3260	3557	6789	4463	38073	3106	6395	3218	6692	40735	30168	5218	433	0	0	11658	10517	0	7724	1631	15932	9631	13307	0	8982	9537	3226	11237	14887	11571	7179	28939	10874	8628	4425	8762	4270	6958	11243	19381	17969	3413	2731	0	5002	1746	0	2972	3865	22341	3260	9881	9191	24478	11024	4311	6002	6914	5468	0	23459	43826	0	31144	50092	0	13304	10415	5890	8906	8410	7397	1787	13112	8488	0	9323	0	7636	15691	Organosulfur	0.46666667	1.1333333	0.06666667
18	C15 H17 O7 N1 S1	356.07986	356.08032	0.09232746	356.0799	4288	9363	3896	6732	5646	5440	2611	0	6654	12771	5319	0	12306	2905	4415	3932	4562	9847	5266	6073	5555	15912	2830	4251	1420	3405	0	5700	0	1363	1800	0	0	0	12897	0	3762	2205	4026	18748	13155	3737	0	0	0	6181	5071	0	2641	0	2923	7797	3072	0	4043	2823	2303	5979	7501	2919	3862	10600	2737	3585	1569	7198	7269	3630	5001	4210	10551	2768	0	1639	1369	0	0	1614	5209	11379	3619	2307	5671	8944	2997	1297	6138	5762	4562	4768	14524	23072	9372	16580	26980	0	4226	7654	3090	2493	2550	4306	0	4657	2671	4994	5451	0	1493	6180	Organosulfur	0.46666667	1.1333333	0.06666667
4	C15 H17 O9 N1	356.0976	356.0983	0.06479179	356.09763	8155	7105	6111	6345	9052	4015	1766	4761	12413	6077	5755	4816	17904	3717	2984	5608	6658	13038	11672	6038	9630	9644	6233	4442	1567	998	1484	0	2882	3150	4067	3050	6120	2606	9635	4367	5091	3263	8180	6333	9334	6686	0	0	0	4972	8583	0	4474	4538	7055	6067	6506	468	14300	13881	6488	3531	3923	5858	6229	4740	22301	15574	6945	14815	5451	6023	4068	2018	3335	4123	3050	3680	1680	3177	0	3440	4342	0	4280	2511	2479	1989	14333	5630	4196	7760	7357	6791	2784	2922	7927	5574	5598	0	7404	7066	11465	16737	15026	6085	2649	5887	3771	6062	9732	0	2030	24126	Phytochemical	0.6	1.1333333	0.06666667
20	C15 H17 O9 N1	356.0976	356.09808	0.19292982	356.0977	5393	5287	5969	5392	10185	6462	2333	3360	10081	0	2134	4660	21611	5413	2459	5539	5711	16722	15677	2683	5346	7375	7872	5419	3205	0	2734	2331	4293	3232	3072	2417	7448	4619	3505	0	5684	4617	4289	2802	4419	8101	1351	746	915	3133	4240	1641	2909	3885	6107	3338	8816	856	17203	11907	4819	4546	2211	4136	4146	5280	25500	17190	5476	12522	7334	3131	1719	0	2871	2948	3508	4831	3731	2248	840	4958	7220	8341	5620	2524	1467	0	13028	5590	2321	7786	6005	3668	2925	3853	5329	9426	7103	794	3048	5694	5033	13007	6746	4406	3713	2789	2869	4574	7999	890	2785	23286	Phytochemical	0.6	1.1333333	0.06666667
16	C15 H17 O9 N1	356.0976	356.0981	0.102122016	356.09766	44483	39152	44527	45750	53340	42563	17084	34195	66991	37596	32028	38172	123075	28786	36631	40878	45106	112992	94390	40247	46988	54939	51714	42954	15678	6139	23379	11612	26087	26994	28364	31442	47573	28752	44775	22798	45326	33597	43918	36621	47715	43509	2592	833	1079	32108	44391	1430	36740	30308	43091	43135	59530	999	98368	59971	37290	36931	25193	28723	48251	39204	94857	84159	30657	84291	50251	35158	24355	15239	20915	29075	31694	25698	31614	22488	1428	30451	39222	47053	26173	22000	16940	14481	74932	38467	31651	43544	49547	28567	16897	30243	53137	46821	45841	1225	33154	42512	34463	46577	54343	44820	24201	26860	21226	47535	49120	1211	22215	122449	Phytochemical	0.6	1.1333333	0.06666667
6	C14 H17 O8 N3	356.10886	356.10944	0.061225858	356.10886	6724	9305	7644	6787	7392	4734	2677	9490	12357	5425	7612	8392	16087	2145	6723	9953	11966	13687	18155	5629	7758	13406	9617	8539	2089	0	4463	0	5190	5120	8528	5280	10252	6567	7207	4404	9362	6600	11830	4964	10407	9282	0	0	0	5990	9956	0	7071	9371	8654	7328	10219	0	17246	8729	6521	9768	6166	7131	8562	4925	19525	13099	5805	11657	9710	13749	0	0	0	5778	4702	4754	6020	4741	0	5326	4906	0	5528	2633	2976	1232	10176	5051	6976	12789	10823	21474	0	10027	19430	5418	2684	0	9802	9833	6835	9679	9178	10685	6616	8141	0	11011	8736	0	4258	23216	Peptide	0.5714286	1.2142857	0.21428572
8	C14 H17 O8 N3	356.10886	356.1094	0.04205959	356.10886	8961	10579	9000	9823	6690	4812	3207	4401	9721	3356	7523	8749	13132	1631	8729	7701	11094	10990	14271	3928	5923	13899	10340	10611	3811	0	4713	0	7526	5605	5868	5958	9917	4687	9289	6586	9766	6062	12180	4688	10727	7901	0	0	0	4019	5725	0	7982	7748	8520	9207	8815	0	16437	6385	7661	7994	5964	7977	8239	3916	16707	13033	8101	11364	9249	14594	0	1189	0	6170	7571	6202	8716	5284	0	5417	6761	0	5038	2821	1791	947	9474	5363	5437	11660	7836	20967	0	0	20811	4703	3202	0	11061	8317	5536	7274	3890	10697	6244	9773	0	11733	7107	0	3175	17462	Peptide	0.5714286	1.2142857	0.21428572
2	C14 H17 O8 N3	356.10886	356.10953	0.10599994	356.1089	4365	4561	3141	3733	7269	0	2155	3345	8833	1860	2566	3802	13549	1924	2299	0	3812	9157	8470	1315	5113	6661	3395	3054	712	0	0	0	3523	1275	3602	3060	6784	2703	2693	1195	3741	1956	3236	1702	4287	0	0	0	0	1488	2061	0	2110	2163	4198	4546	6050	0	8208	4478	3507	3849	1169	2784	487	1705	18503	10593	4699	11011	6058	4151	0	660	628	3553	3229	1392	0	2443	0	2324	2893	0	2643	1047	1008	561	6947	2921	2851	8176	6906	9747	1347	2342	7877	2980	0	0	3813	3170	3461	7436	5831	2596	2433	1325	1561	4712	3285	0	1369	23189	Peptide	0.5714286	1.2142857	0.21428572
12	C19 H17 O6 N1	356.11285	356.1134	0.122190654	356.1129	22008	22727	24057	21788	24651	13490	9237	15017	26991	70069	61778	7686	23328	14441	10563	12027	14477	23289	29886	68463	93788	43979	15213	11965	8761	107258	5246	42382	7926	7073	7630	6710	16506	6214	95875	8315	16028	8925	21644	57172	95829	10733	418	0	0	39007	46059	0	12791	7299	23615	25246	16770	0	24234	15304	10477	13512	6067	12253	0	37313	27431	20710	9353	24294	13713	15515	139526	167194	211008	8382	6361	5487	10238	8640	0	7975	17964	28235	15492	27375	11882	34986	19587	11941	18484	14155	10369	32751	18783	20360	27809	43727	54127	426	30141	22898	27347	23258	19487	13066	7097	7681	0	14382	20027	0	12720	27200	Phytochemical	0.31578946	0.8947368	0.05263158
8	C19 H17 O6 N1	356.11285	356.11346	0.08040082	356.11288	12369	17254	10744	14796	13673	9271	5157	5875	15211	58659	38742	3816	13983	6943	4653	6446	5737	13337	17505	44681	58239	25376	8578	8089	4245	52098	3650	27181	3658	2070	4665	6736	7165	5324	62416	3259	7470	6223	8243	25880	43161	5102	0	0	0	24931	44158	0	7176	4888	16067	12259	7521	0	18396	10838	4991	10509	1808	7580	6483	16750	22728	14874	5949	13149	7305	8367	72072	84311	121091	5515	4354	2775	3038	6264	0	3732	11413	24659	8194	12933	3490	19738	11724	0	12520	7713	7624	17476	0	11196	12189	35756	43390	0	16201	12361	15090	13413	12755	5109	3664	5896	10252	6881	9234	0	4896	13326	Phytochemical	0.31578946	0.8947368	0.05263158
16	C19 H17 O6 N1	356.11285	356.11334	0.07568416	356.11288	39404	47984	38526	40048	27586	24604	12610	18725	33524	131591	109672	10925	29789	19026	14788	22136	22342	33450	41351	98376	115530	85345	16555	21755	12499	176180	13941	92136	13698	5932	11070	14723	24493	12464	149252	10871	24915	11260	22399	98786	123033	17160	1429	0	319	49440	70591	518	19145	13392	46094	42507	26766	263	27088	21160	14438	29746	11887	24199	15664	58871	42375	29101	12217	42651	30284	17827	171768	219481	280125	14963	6594	8545	12950	9683	0	11765	32366	86225	15825	41661	20140	72253	33054	13810	26594	22034	18739	46275	43847	37718	36779	96452	113395	489	41848	46348	23345	20185	22301	23096	10120	22951	26907	23480	19691	0	21256	39150	Phytochemical	0.31578946	0.8947368	0.05263158
20	C19 H17 O6 N1	356.11285	356.1133	0.105665706	356.1129	25420	24280	27639	26026	16940	8387	8226	9814	17655	80651	67993	5751	22680	14378	7906	19559	8303	19048	21070	48142	76429	54094	9461	12615	10561	91764	8858	54709	10865	6663	7113	6890	16840	8715	73317	5809	18601	8545	13874	57560	90671	13537	1262	0	451	38872	60767	726	13820	6310	27530	29433	18159	428	11108	13384	8679	11765	10140	15964	13270	37248	23934	15759	8316	20340	20703	13472	95645	103401	153525	9632	6039	1726	6731	5981	260	5502	22303	70505	13134	27299	8823	52212	20038	7769	15398	18892	15628	24020	31950	26273	22589	75255	74040	0	23764	22846	16467	18620	13736	13198	6440	16622	26581	15013	17684	0	9040	21042	Phytochemical	0.31578946	0.8947368	0.05263158
22	C19 H17 O6 N1	356.11285	356.1133	0.052501474	356.11288	9825	10462	11342	16267	7862	7404	4155	5507	8131	43137	36245	2531	12301	0	4719	8280	4181	9342	8559	21529	35991	27580	5094	5553	2228	30451	0	26509	3555	2353	3432	0	6974	4149	29765	2996	5046	3510	4234	30284	55070	7654	0	0	585	22087	34819	0	5525	3166	11310	6963	9214	306	10712	4615	5373	4074	3562	8441	8086	25780	14983	8184	4268	12035	6726	6648	40630	41966	64581	3393	2472	2322	2306	2706	0	2936	4860	34796	3932	20073	4409	24758	12300	5859	7847	8244	8147	10115	10492	12978	5050	43357	32943	0	14800	10937	6131	8282	9992	5023	2943	8964	15936	6716	6250	0	5531	14732	Phytochemical	0.31578946	0.8947368	0.05263158
14	C19 H17 O6 N1	356.11285	356.11337	0.09702492	356.11288	40309	36056	38598	40047	32324	23711	12341	11947	34540	111913	84457	12808	29761	15688	13259	20406	20320	30014	30989	93437	122241	65205	16171	19303	15999	160311	11774	93264	6667	11183	9005	13615	20288	10880	120465	8996	18536	12597	18892	75677	96956	14668	0	0	0	45105	65334	0	12417	9841	38979	33101	23772	0	32469	24394	14106	18792	9819	18599	0	51395	40470	22953	11932	25267	19546	15850	166586	178358	260983	8667	8876	3798	11006	10372	0	11717	27241	69832	18980	35396	13428	51077	44429	16181	26764	19619	16537	39154	34813	29191	32623	70062	85248	0	34478	37126	23749	27271	30893	15901	10270	21691	22443	17047	22862	0	17386	33834	Phytochemical	0.31578946	0.8947368	0.05263158
24	C19 H17 O6 N1	356.11285	356.11328	0.05517741	356.11288	3975	4237	3426	4215	4269	1725	0	0	1668	16339	11394	1786	4836	1983	1633	1519	1276	1392	2433	2905	15223	9847	2062	1540	1618	10458	0	5079	1421	0	1538	2135	1843	897	11502	1617	2934	1506	3536	13353	21097	2391	0	0	0	9014	15172	0	1580	1254	4385	4471	2356	0	1459	1358	2307	1981	1242	3886	2331	9187	5272	2993	1360	4974	1137	2007	19238	10693	21241	0	1680	0	1837	0	0	1249	3726	13442	2152	5801	1627	9297	3931	0	2007	3067	2204	4362	3807	4647	1908	22567	15237	0	5119	3264	1378	1759	2453	2753	1129	1610	7448	2108	1798	0	1202	3415	Phytochemical	0.31578946	0.8947368	0.05263158
10	C19 H17 O6 N1	356.11285	356.1134	0.10917652	356.1129	30069	29458	33758	31851	25564	23557	13933	15969	35528	89479	60365	15824	37762	9120	15787	25779	21576	30668	37711	65419	83547	54860	21035	24861	8944	91113	8679	40774	16975	14089	13229	23614	34443	17086	92297	14068	23500	10578	27567	57186	64623	19681	0	0	0	28757	52594	0	22360	17179	33491	28539	22103	0	35637	25487	16425	24361	9463	19870	8452	29997	39673	34553	15004	38213	18798	25332	116085	121240	166743	16074	16018	8459	16121	12325	0	15800	23885	37665	20524	25376	9585	29258	28559	15060	20781	25856	22760	41279	14724	21799	45639	46615	59313	0	35643	32129	20941	20297	20322	19868	12088	20027	0	23951	20173	0	14897	47127	Phytochemical	0.31578946	0.8947368	0.05263158
6	C19 H17 O6 N1	356.11285	356.1135	0.113371335	356.1129	7926	6330	4053	5876	8158	2530	1734	2287	6555	27551	13529	1181	10434	4171	2434	4069	2796	6079	8123	18130	25792	12007	4146	3873	1702	19293	984	9496	1271	1801	2188	3289	3295	2248	22062	1253	3905	2362	0	10051	18239	2049	0	0	0	12339	18716	0	3356	1316	7958	6387	4337	0	7277	6048	2466	3150	977	2703	3329	8239	7571	6425	1982	6688	4338	2468	29522	34245	42441	2296	1774	861	0	1965	0	1628	4249	9087	3436	7646	2114	8412	6753	3325	5951	3420	2761	5537	3521	2930	4640	12602	21214	0	4856	5525	5535	6303	7832	2738	2808	3215	7893	2821	5991	0	2554	7846	Phytochemical	0.31578946	0.8947368	0.05263158
20	C16 H21 O6 N1 S1	356.11624	356.1167	0.12557074	356.11627	12268	11570	12898	6590	12583	13784	7756	3720	4640	19252	15732	2222	8640	6394	5782	8726	8476	17832	9400	22372	27264	28520	6302	11228	6172	20336	0	14642	9524	7514	3960	7640	7028	9842	24367	3622	11400	6314	6594	27842	28268	6952	0	0	0	14472	10300	0	8556	5236	11360	9466	8902	0	6232	4948	6948	15622	12520	8278	9160	28358	3776	5928	4482	13848	11890	3264	19316	12010	22960	8946	6564	8730	4912	8358	0	5442	5076	12768	5246	10214	9250	19994	12258	6240	6186	8418	6334	6374	38702	53572	10912	31570	31488	0	9802	13858	6224	8036	7998	8934	6342	9288	8188	17710	12320	0	10584	11628	Organosulfur	0.375	1.3125	0.0625
6	C16 H21 O8 N1	356.134	356.13464	0.08460414	356.13403	237364	239930	213500	218932	67530	58087	59044	271724	197278	169324	112253	168700	271846	32299	158652	263680	211954	265310	285582	165201	429366	314030	190008	267764	37684	47978	60130	59375	104653	213308	221806	242832	276172	197278	398762	213674	245922	142514	275052	122109	177460	167796	1734	541	797	127637	167626	347	121538	234030	233198	211592	72656	1239	279610	92352	106348	248732	109583	137185	256560	99450	297516	114020	47622	98303	176572	271350	86100	80915	109557	100741	215670	216924	63365	90885	650	141210	137060	51556	69402	133900	143792	44537	187662	66697	66042	166386	87086	246832	60076	103888	294532	105556	132869	918	113185	237648	56323	82830	93227	275458	151520	157819	97639	222402	78723	478	52248	328234	Phytochemical	0.5	1.3125	0.0625
4	C16 H21 O8 N1	356.134	356.13464	0.02223865	356.134	31456	30780	27167	26623	21058	17298	11581	26772	53730	37302	27816	39124	89778	12950	17232	49100	28787	74992	69500	38207	47548	89592	44842	56716	10129	12984	12147	11210	20980	22926	22360	20738	27085	19446	55714	24688	30338	36832	65340	32689	44066	22342	1115	694	772	29287	45102	434	27697	27111	27415	22365	19811	1009	73794	30553	16639	27944	24703	32736	27662	23862	96374	65814	17404	61516	18867	34995	22517	17036	22128	24845	20626	26140	6578	20449	505	17315	29726	10856	29780	15560	14361	11328	32645	19367	12606	20166	23886	49674	15117	23588	79288	27204	28484	872	25875	32780	21668	34807	34710	28794	16220	35010	19509	47666	23245	562	11345	97498	Phytochemical	0.5	1.3125	0.0625
4	C15 H21 O7 N3	356.14523	356.14587	0.014802104	356.14523	23884	28223	22217	21149	16166	13489	11944	25395	25159	16684	16044	19160	32731	8301	21582	26314	38331	29659	30635	21522	21484	40532	26927	27746	14526	2981	13289	7355	18010	18301	19619	23398	27533	17431	31600	22111	29478	23871	52843	20496	28052	18853	0	0	0	22151	30463	0	25178	24642	25711	21407	18521	0	35915	19562	15590	25470	27944	27444	29094	19520	38151	27716	16297	26864	18594	42506	6339	6581	7903	20303	18547	21756	10920	16626	0	19055	21674	12633	17021	14589	14846	7360	24095	16795	18690	22445	20575	41178	19081	38129	57367	15655	15915	0	24004	29040	16499	19419	18933	28885	19523	32387	18725	27799	18810	0	15311	41458	Peptide	0.46666667	1.4	0.2
10	C15 H21 O7 N3	356.14523	356.1457	-0.07950618	356.1452	28780	28491	24934	23466	12493	16206	25022	42357	18427	13922	15408	20984	20449	7922	33536	35902	28924	28309	33708	21623	21092	43544	35349	45348	28573	0	23032	12590	34857	28325	29170	36338	40934	27760	22862	32092	41189	26531	32749	18663	23550	15977	0	0	0	27435	20078	0	37166	33035	27214	26998	19293	0	19827	6809	11150	44713	34491	24576	46818	15276	17795	12851	11609	18881	20427	40420	0	6751	8622	33756	32326	29650	22531	29834	0	26035	30289	10124	21243	16095	17628	8986	12153	13879	24823	21669	25958	51282	31866	41917	71357	17570	20312	0	28003	26253	10118	7759	8551	36922	23369	39804	0	40820	12021	0	23789	23810	Peptide	0.46666667	1.4	0.2
6	C15 H21 O7 N3	356.14523	356.1458	0.011979831	356.14523	49121	53928	43587	50627	29368	25386	27411	58430	40517	37175	25785	35904	45924	11244	47164	74522	54376	53318	62267	42096	52096	71025	44938	61385	27410	2798	27962	19100	45731	43163	52053	51143	67784	43236	55565	46851	64632	43841	68330	40681	52350	32842	0	0	0	41745	47780	0	58118	45354	55756	49804	33135	0	61749	21476	25393	59254	49843	45831	57582	31704	54596	39514	23317	42152	42792	75684	10836	14553	17536	48310	44560	45448	29158	38257	0	33981	33313	18810	31173	23785	25755	12859	26808	28689	43030	43211	39876	94953	41927	70458	110023	35567	32249	0	47501	52472	19413	20644	22797	64069	38139	58297	29009	62304	25567	0	31980	64886	Peptide	0.46666667	1.4	0.2
2	C15 H21 O7 N3	356.14523	356.1459	0.018348986	356.14523	27458	27917	22082	26925	25647	26520	14669	29462	27978	15079	15519	24600	44057	10306	19015	5859	34192	38236	38979	13309	28425	39681	26186	23520	9603	1563	2234	11641	28462	16541	31292	24918	46739	25202	23894	20652	36179	18180	34250	19790	25595	22623	0	0	0	12568	16857	0	24967	16043	25317	26538	28849	0	33589	17363	15603	26852	16149	20644	9242	11090	53479	35036	16679	44552	32864	44075	4836	5616	8883	25742	22593	17592	2880	21887	0	17465	22142	7990	16830	8645	10889	4897	22096	14293	22851	33259	31921	55939	19148	31825	60440	15137	4203	0	27261	26328	15457	22910	18140	24517	21549	19033	10709	40753	17364	0	16717	58071	Peptide	0.46666667	1.4	0.2
8	C15 H21 O7 N3	356.14523	356.14575	-0.04511924	356.1452	53524	49050	43886	45264	22246	22444	25494	59345	30026	36067	21464	38916	30275	10264	46457	59872	51251	42249	46724	39862	34795	58669	49035	64630	28671	3200	27839	15519	47769	37137	46168	55215	62077	45488	43497	47119	58005	40329	54405	35201	44299	32072	0	0	0	40878	38291	0	55724	46588	43967	46368	29959	0	47141	15935	22044	46862	50171	42521	57351	27254	39626	34832	20824	34937	30885	65274	7367	10618	10478	44729	43594	41194	33002	38840	0	36835	37879	18625	28942	21839	26832	12237	21334	22545	41264	35899	35551	76226	48137	68259	112654	25169	37115	0	47971	42561	21131	18139	16952	54925	34859	58321	24202	57492	20018	0	31398	48955	Peptide	0.46666667	1.4	0.2
8	C20 H21 O5 N1	356.14926	356.14975	-0.06615988	356.14923	11273	22509	14083	17275	11135	9944	7157	9869	7674	60479	38052	6613	9364	9031	6511	13900	9467	10868	15589	62258	62815	21191	7388	10344	7149	88837	6759	28912	7739	6404	6298	9427	9432	7680	61942	6862	10566	5175	11506	36946	37911	6848	0	0	0	19663	27948	0	10020	6644	16403	15671	6768	0	9497	5260	4726	9465	0	6573	7688	19702	8455	7565	3846	6414	7777	11685	77396	107813	125890	7919	6148	6534	6826	8365	0	4905	9813	16324	7601	6657	3859	29867	6617	4312	11987	8331	7173	18938	16483	9459	16521	22394	40199	0	16530	17785	6729	7455	7107	12030	3723	9232	0	11055	7069	0	7362	6268	Phytochemical	0.25	1.05	0.05
16	C20 H21 O5 N1	356.14926	356.14972	0.038173694	356.14926	32945	38115	33459	34063	22852	18262	11895	21723	18305	86839	79946	14401	14806	14085	16131	32480	21685	16149	29476	112047	111929	47885	15903	27651	17931	174362	19538	67940	15348	17498	15743	18739	25697	18447	95820	16036	23666	15244	26883	89149	111847	16473	709	0	0	31749	51849	0	26718	21668	44871	33962	20311	0	15342	14124	14203	26739	14603	27080	25113	48281	21877	16222	11197	28079	22867	24779	151616	195107	245192	17421	16528	12117	20542	13790	0	14269	26042	53367	20257	28713	20726	60816	20282	12874	28587	21519	21168	53916	35538	39933	51415	46273	65334	0	36409	32598	14316	17349	15743	23968	12194	25935	19385	21996	15223	0	21294	28296	Phytochemical	0.25	1.05	0.05
6	C20 H21 O5 N1	356.14926	356.1498	-0.02657984	356.14923	10283	9068	8194	8526	5686	6398	3824	7730	6395	30701	18346	2462	4727	4724	5231	8627	5020	8064	8417	30898	36296	9499	4404	6627	4491	50104	4104	13537	4470	4270	5721	6307	5704	4236	29217	3827	6854	4167	5278	15019	22374	3597	0	0	0	13934	17846	0	6930	5088	10927	9566	4351	0	6866	2515	2730	6933	0	3019	5870	9935	5233	3742	2400	6089	6462	6263	43390	59992	70520	5602	4325	4812	3799	4125	0	2876	5281	10694	5683	5212	2113	15003	4421	3150	7181	5055	4087	9858	5109	6331	8472	14356	24300	0	10738	7671	4828	3047	3547	6423	2789	6618	0	5518	3411	0	4078	5465	Phytochemical	0.25	1.05	0.05
24	C20 H21 O5 N1	356.14926	356.14966	0.09265233	356.1493	4496	5821	4319	3235	4176	2419	0	4508	5720	13848	18086	2527	4336	2660	0	3246	3108	4882	4587	12270	17115	6217	2267	6743	1248	22518	1374	17852	2841	1735	2371	1913	3205	2155	12213	3307	5802	0	1317	18628	28489	1445	0	0	0	10456	11223	0	2928	2052	5000	6008	2765	0	2535	4720	2362	4009	2271	5077	5499	11894	5230	2857	1304	5448	5512	2237	30990	21128	36747	2505	1322	2631	0	1077	0	1638	4842	13712	3239	7630	3257	12103	7609	0	3695	3006	3377	5049	5361	2601	6425	17945	10669	0	6217	6317	3227	5714	5969	4143	2838	4000	8624	4906	6510	0	2688	3669	Phytochemical	0.25	1.05	0.05
20	C20 H21 O5 N1	356.14926	356.1497	0.08112456	356.1493	34483	39928	37214	35884	28111	17840	12692	22427	22610	82341	84746	13005	22996	18906	13345	22630	23170	19399	28206	94211	113223	51709	15034	23927	18381	180878	13400	93806	17012	17342	14954	20415	27330	19932	87583	13890	25863	10514	24316	83564	131269	18811	1427	0	0	51317	67532	530	20867	11827	34598	35159	25244	345	14980	17820	12899	22615	20376	28926	24452	61475	17915	13658	12394	24553	24739	27755	145558	170393	246227	15654	16245	13223	12676	13500	0	10429	22661	70138	12476	34543	24127	68862	18032	14165	22444	25881	20493	43394	43405	42876	44881	61721	58385	0	44502	34718	19123	21403	20568	27156	14142	32880	33258	25304	19601	0	16576	23048	Phytochemical	0.25	1.05	0.05
4	C20 H21 O5 N1	356.14926	356.14993	0.029837187	356.14926	3197	3673	2774	2897	2115	2349	1768	3013	1955	8068	5395	1255	1077	1923	1646	3517	3310	2676	3594	8773	10268	5839	1847	2309	1706	20872	1505	3743	2631	1776	1791	2266	1360	2160	7265	2583	2709	2220	1573	6098	7440	1430	0	0	0	5778	7051	0	2881	2565	3009	2263	1900	0	2653	1141	1336	1864	0	1439	2159	3463	1808	1561	0	1716	1104	2884	16512	18186	23192	2146	2139	1355	1844	1475	0	1178	2702	0	1745	2139	1074	5706	1642	1580	2533	1584	1330	3981	0	0	5015	4347	7384	0	3599	2639	1775	1584	2008	3002	1583	3042	4165	1629	1628	0	2244	2210	Phytochemical	0.25	1.05	0.05
14	C20 H21 O5 N1	356.14926	356.14972	0.01755688	356.14926	27003	26876	22923	30548	17170	14633	11137	17602	19722	62278	49850	14982	10399	13841	9701	21276	20472	16654	18175	76749	104877	34642	10136	16420	14358	149786	11798	56535	11036	12332	10558	15903	20474	14688	67326	16041	16745	9927	23887	59985	84601	13186	0	0	0	31690	34544	0	16104	14711	24266	25286	16357	0	12322	11480	7897	21427	8777	22635	0	42725	15560	15975	8724	18065	15540	20504	114905	164658	211556	12740	11008	8538	14157	15705	0	9765	17106	46356	15122	18184	14703	44937	15272	9324	15783	16500	13348	38973	39466	20997	36514	38526	51449	0	19958	24964	12490	12054	12285	18651	9278	17802	0	15848	12069	0	15517	15302	Phytochemical	0.25	1.05	0.05
18	C20 H21 O5 N1	356.14926	356.1497	0.060188856	356.14926	51727	47856	40876	49341	26662	23804	23724	28987	17616	95037	97704	18065	25599	21373	13128	42320	24740	33284	46697	122705	118323	61434	20912	34719	20438	196331	17791	97422	17573	18991	22669	27382	38926	21511	99329	23466	37370	15990	34165	107748	131228	27667	1421	0	0	48380	57387	342	31014	24058	40469	44764	28832	0	18159	16759	18697	37464	17549	28353	34414	61040	29416	20563	13887	30024	32305	36779	187341	187243	291677	19958	17158	12783	20480	17739	0	11611	36364	67275	27197	40193	23260	67825	23035	21482	32834	27778	26511	54971	43209	49271	62405	60037	86804	626	45855	47054	23616	19457	20138	29418	13625	30740	26383	32597	17032	367	24312	20192	Phytochemical	0.25	1.05	0.05
12	C20 H21 O5 N1	356.14926	356.14975	0.012336227	356.14926	19007	20171	23993	20942	11762	10872	6439	12815	9393	64886	54304	8214	12120	9050	7109	15171	13181	11792	19163	77344	87688	33218	9478	21034	11150	111790	8978	59633	10474	9714	9889	10956	18504	10948	75359	13788	9300	8119	17880	50497	63703	11705	0	0	0	23701	31132	0	13273	9817	22416	21179	10192	295	13291	6692	6733	14832	5175	11262	0	28629	10073	10589	7073	13682	11844	11818	100253	154946	180225	7331	7648	9651	10091	12202	0	8222	15762	21301	12032	16362	8013	37294	10802	6607	17864	8928	9776	41887	16890	15958	29426	30514	38850	0	22435	24784	12049	8317	8702	12534	8484	14057	0	13371	7213	0	10424	13143	Phytochemical	0.25	1.05	0.05
10	C20 H21 O5 N1	356.14926	356.14975	-0.044470966	356.14923	22467	17918	16994	19513	12302	8492	7766	12831	10393	76341	49737	5717	9688	8428	7140	12685	10296	14045	15907	84880	90746	29633	6089	15341	8686	127133	6517	42755	9143	8142	8393	9272	13088	6876	67164	8584	15105	8066	16572	46857	50008	9221	0	0	0	22349	35078	0	13546	7547	20296	20730	10572	0	9605	6181	6005	12156	0	7920	12105	25110	11204	9129	4210	12983	10517	12432	105771	142366	156325	8868	9162	6277	10170	10062	0	5237	11821	25557	9201	10285	5591	30223	11945	4443	11582	8889	9211	24521	14844	11108	19080	27522	51612	0	19324	20803	9656	7765	6604	9090	6753	15580	0	12848	7198	0	9756	10933	Phytochemical	0.25	1.05	0.05
20	C17 H25 O5 N1 S1	356.15262	356.15308	0.15764256	356.15268	10069	6169	10413	7162	8239	3458	4697	8985	4909	11251	8545	9897	6105	4175	5522	8668	9020	4521	23762	16616	15631	7616	0	8518	4314	14756	5728	9438	7492	8174	5774	6624	8680	2467	13002	4532	5947	6201	8941	17045	12365	3110	0	0	0	10150	11872	0	9034	10914	7281	9779	7157	0	6313	4426	4096	6485	6921	5524	10617	12080	3422	7347	2563	7890	2972	10170	8665	10855	9388	2995	2316	7978	8330	12187	0	6797	7144	8235	6556	5530	6055	8118	94787	4068	5556	3049	5092	2349	23418	32200	4763	14695	20920	0	10169	9924	5402	4991	6035	8515	10138	12811	5619	6756	11861	0	5577	9177	Organosulfur	0.29411766	1.4705882	0.05882353
12	C13 H25 O10 N1	356.15512	356.15567	-0.06507638	356.1551	0	0	0	3347	106131	17707	0	1422	24640	0	0	0	0	226833	4797	0	0	4668	7391	0	0	0	1433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16035	1034	1137	893	0	0	1066	0	0	0	0	69720	1019	12335	39810	45071	0	0	0	0	0	2133	0	47828	22340	34759	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25935	24387	0	0	4041	0	0	0	0	0	0	920	7334	0	22708	0	4720	0	0	0	0	0	264393	1058	0	3476	A-Sugar	0.7692308	1.9230769	0.07692308
8	C17 H25 O7 N1	356.17038	356.17093	-0.035409506	356.17038	138580	150543	117227	143804	70489	63407	87562	363170	84777	169371	82738	100618	123370	37422	234978	158621	125489	115323	148878	439728	220812	379974	129393	377290	90285	121806	81993	71104	381784	292640	263992	315672	150542	278134	220583	156718	293748	191378	272114	177738	304610	86741	2201	784	896	181001	167747	614	367040	160548	137462	142777	72459	1391	146627	78864	54287	131037	136689	126882	167437	106598	117232	103172	48511	99481	72266	123533	122209	148901	152510	287906	136583	289994	109586	320820	822	95960	110294	68687	101815	198014	238456	84568	92460	60178	93798	59394	89325	277138	103113	181908	418992	96343	167581	1247	140794	150779	60411	70979	78652	311654	92610	216452	74401	121152	70746	686	173728	132405	Lipid	0.4117647	1.4705882	0.05882353
14	C17 H25 O7 N1	356.17038	356.17087	0.015538335	356.17038	578840	582617	543574	595125	464633	429674	419718	861123	544673	590704	367388	399822	718705	266587	651138	790524	694920	929214	927238	1217283	1347964	664071	729778	859739	604536	1307320	335191	456258	919037	779613	578614	678988	841854	603474	841573	848129	711194	475253	576331	733998	637014	579819	16417	2595	2476	772774	709367	2258	658465	710576	544835	527719	475937	4991	947920	563329	292871	691449	663733	486773	788385	498938	631715	635868	296940	553255	490945	519765	1058840	1305379	1015302	618471	604455	740343	656636	607735	1456	478825	578013	426022	523874	480795	463486	407725	624170	422017	547736	413059	485283	512718	581518	611048	966038	382859	633427	7329	585772	761454	413357	447828	562916	854551	421377	896726	407496	556037	511937	2857	416923	621720	Lipid	0.4117647	1.4705882	0.05882353
2	C17 H25 O7 N1	356.17038	356.17105	-0.019867318	356.17038	34459	69698	30899	58858	20674	27498	20307	78624	47192	29009	19078	53190	38915	11359	53064	17235	57592	62152	61566	35280	108180	89192	57506	26463	26436	10007	9542	18970	86230	27709	79450	34695	104052	71950	96318	64186	80728	40750	69820	65940	73746	19782	558	410	661	21787	53224	487	73524	25348	32264	29670	42640	446	59404	16780	11644	37651	43494	43270	18459	20105	35594	53624	12572	59082	49172	74092	18332	44566	30751	39331	76924	33190	9255	64866	521	47884	42404	18058	37254	15046	16013	11475	20259	27970	40616	40742	47108	72264	65494	83148	84574	48862	17770	615	66760	36601	16475	20821	40704	29761	46794	77908	35894	69278	31060	0	32238	77106	Lipid	0.4117647	1.4705882	0.05882353
4	C17 H25 O7 N1	356.17038	356.17102	-0.001146155	356.17038	86418	90010	45032	78904	22281	54248	39368	97328	30694	59210	26718	46264	117520	17243	63902	77856	32898	79402	89698	67391	64347	130152	64674	82408	42440	24402	18118	16501	58041	66890	72042	44397	105172	36641	87767	47213	99634	49160	89472	59693	91122	29250	896	635	892	43557	52316	510	58330	41009	80212	81084	27653	735	82180	30069	14529	82286	85190	34105	75638	32792	95066	61832	11957	70758	24149	37817	35027	40096	38839	75312	69042	90768	20502	86050	404	59788	51098	29719	45728	24995	52830	21125	64104	38026	46702	20883	29152	64042	106460	105648	111484	29566	47659	1296	75890	88552	19040	30217	30562	90744	52382	64509	29364	71796	41670	458	34396	55869	Lipid	0.4117647	1.4705882	0.05882353
6	C17 H25 O7 N1	356.17038	356.17093	-0.03094387	356.17038	96614	191148	173842	169696	43006	44623	100482	208986	58688	135895	59312	101122	82183	24266	139088	194454	125792	154284	183992	289504	307514	267080	136164	211700	87586	53032	85444	46526	292610	185454	177394	210424	234142	184810	340500	209664	228412	113560	164692	98444	208030	49609	1851	415	801	100261	96925	355	271698	170318	185100	171822	50335	963	166574	42908	28769	194624	89203	148980	190602	66855	83355	57889	25291	62893	111324	154236	62073	95316	97074	172068	172156	186128	49032	196198	665	105140	98478	35257	94910	110356	119944	46724	51261	38284	96376	44128	112370	160992	75804	214196	237182	119226	95903	1132	181432	95619	31310	39963	49615	210956	116696	139108	56268	162392	43480	601	86944	102716	Lipid	0.4117647	1.4705882	0.05882353
10	C17 H25 O7 N1	356.17038	356.17087	-0.028712353	356.17038	258458	227748	242778	220833	138577	121183	173037	368891	159526	281121	141883	203111	223014	76021	224030	324401	229723	266690	287746	435823	392102	292570	265596	404420	212517	326213	154233	122409	332308	305811	248069	290284	284266	233405	335558	316221	266464	179520	233541	296841	270312	170063	5849	1398	1979	331816	270010	1032	298150	306854	254059	243693	151927	2368	274656	147252	104792	300355	274188	253770	348910	175059	177101	179505	90567	163199	136630	244926	308684	318573	280369	278919	266342	301988	217594	258103	1158	192840	235693	135617	212077	193891	237291	138813	200359	136937	200131	133223	155265	225266	185108	236051	371628	156550	279290	3790	238180	296950	118381	138409	164931	295963	177798	404921	171681	223360	157972	1527	180182	216696	Lipid	0.4117647	1.4705882	0.05882353
2	C16 H25 O6 N3	356.1816	356.18225	-0.063881256	356.18158	29875	32799	28922	27018	18643	25768	19670	32822	20166	13884	11524	20632	28613	10530	27886	16303	28055	30214	31753	17732	22515	38603	26533	27218	17593	3419	6144	32927	40098	18736	32393	28135	44758	28953	24095	29109	40817	21798	33982	16249	16703	20852	0	0	0	15876	12327	0	30475	21516	28937	31220	20491	0	28671	10102	9976	39763	16541	10815	17471	9752	26215	21123	10441	27795	24761	39605	5180	9716	8897	29034	27291	24518	8472	23174	0	19948	23649	34214	19337	8520	11599	6921	14416	14354	26975	19560	24327	62844	177872	138601	71204	19249	8529	0	27489	29472	11605	12390	12326	27236	20772	24326	9634	39846	13179	0	22829	35273	Peptide	0.375	1.5625	0.1875
6	C16 H25 O6 N3	356.1816	356.1822	-0.039594002	356.1816	42216	42967	35322	40497	18109	19325	27554	48668	20482	32222	16591	21102	20549	9500	37635	52008	29115	31161	36704	35938	29455	50955	32465	50607	34154	5025	23934	38003	39801	32816	43500	45330	52626	37852	38316	40492	48691	30215	37129	26388	18496	16578	0	0	0	30062	19588	0	42395	35562	42612	36248	18583	0	34725	9516	11655	53343	22286	11290	47853	13443	24153	20236	8875	25502	22967	34370	5883	17836	12661	38916	34488	36577	19180	30320	0	24167	23562	58337	18944	14637	19947	11823	15175	17978	32092	21521	23608	57414	293608	173409	81309	28738	28158	0	40493	38146	9067	10302	11133	45490	22982	40231	10818	43723	13345	0	24529	31633	Peptide	0.375	1.5625	0.1875
10	C16 H25 O6 N3	356.1816	356.1821	-0.100497834	356.18158	19461	16327	16749	17820	7914	8096	13356	18523	7997	9888	3651	13742	15306	4805	15902	25377	16071	16381	16427	12860	12166	35485	18380	28827	22294	1880	10505	11751	19261	14389	15361	22246	28189	17939	16333	19274	24194	13301	16182	12202	7395	10957	0	0	0	16731	7195	0	28488	19968	16914	17227	8875	0	12155	3306	5002	33182	9924	9389	25818	7380	9853	6879	5413	14132	11674	22694	0	8352	5462	20110	20834	20193	13447	18809	0	14874	17136	19841	12703	9113	11713	5285	7673	7169	17472	12942	9286	33144	56640	49003	54777	10657	11164	0	16779	19423	5418	4716	5800	22720	12471	24713	0	21277	7185	0	17856	14212	Peptide	0.375	1.5625	0.1875
8	C16 H25 O6 N3	356.1816	356.18213	-0.06298002	356.18158	28940	29849	27195	30418	13648	14885	19590	33170	14086	19051	9773	14947	21400	6385	26066	37115	19734	20276	24905	27990	19471	43850	26383	40522	30498	3744	20159	27291	29861	23237	30718	33746	34590	28242	28416	27673	39638	25169	28470	22888	16745	15094	0	0	0	27450	17266	0	37047	26721	24745	31553	13666	0	22255	6939	9042	40054	18966	11066	34028	13229	17113	15062	8646	22760	13537	31726	3656	13044	10232	29398	24842	21502	18836	23730	0	22477	21688	34054	17978	12723	15938	9530	11667	11273	27427	14315	17443	48265	142521	123721	71999	23899	19233	0	29984	28906	7239	9217	9788	30433	19679	35938	9525	32943	9708	0	21459	24855	Peptide	0.375	1.5625	0.1875
4	C16 H25 O6 N3	356.1816	356.18225	-0.031920392	356.1816	27409	25715	27125	27989	12627	13042	15624	29590	20520	13522	10404	14495	21853	9112	28541	32787	25183	24414	26237	18964	20665	36955	23754	33319	24213	5025	15212	16087	28376	21223	24928	25026	37804	20723	25915	25580	31171	22053	33542	17809	14119	13782	0	0	0	20701	15360	0	25513	25550	24000	22222	15401	0	29975	10833	8846	28692	17560	9948	32005	10109	23536	20066	9125	21799	13252	30494	8366	11811	7522	20958	20563	26711	13869	20731	0	19898	20094	36267	18950	11149	16274	6521	17630	15655	24876	15515	17082	35917	149190	104501	61546	15471	16368	0	26631	32432	13343	13455	14660	29131	18897	32844	11195	29582	14250	0	16934	25194	Peptide	0.375	1.5625	0.1875
12	C16 H25 O6 N3	356.1816	356.18204	-0.15040572	356.18155	9489	8823	12338	12968	3599	4086	8374	12733	4323	5751	3465	5825	7930	2467	11944	11362	11039	6174	10406	6082	6963	17105	8661	16931	16109	1178	4266	11357	15384	9682	11948	13073	17524	12569	5769	9087	9623	11820	13033	4822	0	7817	0	0	0	7551	0	0	14806	9244	8969	7206	4704	0	8096	2936	4084	17095	10881	0	0	2743	5502	3932	3879	8783	6971	9126	0	4283	0	10992	10331	9505	7025	8666	0	9154	10652	17103	10606	3102	7097	3439	4562	2237	17952	7709	8087	27713	38322	28888	32648	4197	5387	0	9986	9676	1693	2684	1471	10537	6217	7147	0	15865	2012	0	13096	6850	Peptide	0.375	1.5625	0.1875
20	C21 H25 O4 N1	356.18564	356.18604	0.018634474	356.18564	29033	33120	29897	25291	14978	8605	11947	19888	8045	45420	52530	12071	5982	14227	10974	32723	22099	7420	14236	63070	67764	30131	8916	31730	12408	132519	11962	63586	18550	17775	13167	21634	19116	22955	50514	16512	23157	8118	28006	59359	83988	19015	527	0	0	24054	38079	0	23583	18766	30534	31442	11072	0	5075	4748	10640	29925	8933	24625	23205	36586	10386	6781	6626	10607	20311	22677	100022	100512	150936	20564	21265	16128	19636	18114	0	10669	19847	33687	14373	18107	19220	44047	10644	5937	25219	23354	14567	46446	35397	27693	40269	34889	45732	0	25685	25141	7800	6935	10117	21398	11249	21760	17186	28233	6843	0	15518	7837	Phytochemical	0.1904762	1.1904762	0.04761905
8	C21 H25 O4 N1	356.18564	356.18613	-0.11626839	356.1856	16294	16733	12141	14303	2756	8603	8375	14355	2879	41416	31521	8261	1230	3376	8113	18406	13257	4106	8389	46331	53025	10240	7400	15913	8161	50078	11864	21203	12646	12944	14876	16952	17546	17165	34713	14379	17520	7210	18207	22111	15429	7518	0	0	0	13329	21776	0	14796	11464	12234	15146	5392	0	3713	578	3373	10533	0	1276	16850	8660	2209	3851	4225	4386	14457	22790	35805	59236	63473	17491	14348	11267	15026	13001	0	10115	8132	13050	8824	1464	1197	19637	2059	0	9415	8068	7442	19345	18010	0	26166	13333	28450	0	14872	15109	2152	1359	0	19062	7707	9734	0	15930	0	0	9422	2430	Phytochemical	0.1904762	1.1904762	0.04761905
18	C21 H25 O4 N1	356.18564	356.18607	-0.004193565	356.18564	18786	19434	19538	17677	8336	10455	12085	10627	6608	31957	40448	7260	2149	10326	10785	21709	21786	9662	4899	49752	51606	19618	8067	20844	8976	96629	12119	41392	9267	10889	10486	12354	20239	9496	33797	9499	16289	10022	22897	41511	61689	8790	0	0	0	17881	22747	0	12323	15680	22837	20888	6148	0	3562	3474	4311	19209	5650	20830	16623	23884	4189	3151	8612	14766	10538	22544	81633	84438	132297	11997	10941	8654	18400	19028	0	6506	9097	26096	12215	11826	11457	25749	7795	6739	16183	13539	10775	41132	26672	21610	29281	21433	17470	0	17346	17377	5796	4207	5958	17042	7925	14057	9621	14406	2678	0	17756	4629	Phytochemical	0.1904762	1.1904762	0.04761905
10	C21 H25 O4 N1	356.18564	356.18613	-0.046573784	356.1856	15427	15259	11727	15033	8032	9953	11373	10681	3420	39263	29023	7836	2586	7383	8444	16693	10008	3952	7216	53637	58293	8334	8545	14008	6804	77317	10113	30159	12880	10125	14118	11205	19010	11817	39879	11237	13970	9014	13638	25613	15856	6163	0	0	0	14347	18828	0	15932	13393	14226	16887	5723	0	2885	993	4141	14007	0	2976	15506	9375	4059	2919	2952	5222	34435	21901	56446	76964	83953	12379	13685	9687	9067	10095	0	7050	8847	12026	8635	1979	1220	20831	4162	2487	8765	7526	6909	26069	14106	3149	25061	12389	25207	0	14596	12535	4523	2416	1797	15482	7056	8909	0	10507	2628	0	7817	2168	Phytochemical	0.1904762	1.1904762	0.04761905
6	C21 H25 O4 N1	356.18564	356.1862	-0.07856461	356.1856	23020	17860	17402	24776	3728	7754	13956	28708	2786	49188	23966	13266	3194	5024	15306	30340	19166	4550	11554	54664	57282	10440	14872	26990	12968	57216	15020	16524	28288	28288	25062	25698	27266	26656	40786	25580	27412	12062	23708	25888	13962	9268	0	0	0	20202	23312	0	39182	24492	17114	16732	7192	0	3418	1502	4156	22242	0	1992	26710	14812	1576	2664	4424	5956	9740	36014	39800	56114	57106	24252	22230	24286	25476	21066	0	11260	13584	17442	11580	1866	1854	21650	3052	4088	9602	14606	9472	34900	9355	5440	34714	15386	36562	0	18154	20858	2138	2208	1236	29472	12162	13938	0	20996	1348	0	13466	3530	Phytochemical	0.1904762	1.1904762	0.04761905
16	C21 H25 O4 N1	356.18564	356.18607	-0.07492087	356.1856	13641	15042	12388	15528	5740	7205	9254	16505	4843	31629	27725	5912	0	7879	4885	18574	17305	3590	5906	49629	46710	13088	6909	16067	8852	67511	9016	27270	10084	8429	10655	11162	12347	9623	32813	13087	11731	6425	18780	26074	39850	4591	0	0	0	18055	17602	0	14596	8434	16127	12183	4794	0	2788	1560	3057	16906	1999	11620	13973	16069	3961	2904	5424	6975	9997	15604	53984	70183	93023	9058	7793	5413	9301	9426	0	7725	7981	14560	6024	5750	7689	24510	5468	3633	12746	8691	7529	32352	20457	8993	0	15104	21231	0	13731	14776	4155	2992	3730	12857	6541	6861	7732	0	4570	0	11425	2667	Phytochemical	0.1904762	1.1904762	0.04761905
22	C21 H25 O4 N1	356.18564	356.18607	0.07541108	356.18567	28605	29653	26668	24263	18770	13673	7692	29365	12135	38799	52653	13693	7676	13976	11010	34659	23832	8863	19020	53029	51371	33879	10117	39478	16384	104569	11834	54988	21819	23373	20335	27915	27452	31655	39125	20677	26213	8466	20966	51615	78023	15995	0	0	0	28554	33871	0	28417	23613	23740	27504	16986	535	6286	8922	8827	20410	10591	26625	32038	32416	9479	6887	9849	16697	21608	26415	98407	89583	120102	26982	29018	20567	14764	23259	0	9864	17418	30610	15458	21161	16830	36199	10323	13931	26642	19162	15474	42938	27134	33940	30260	34279	34279	0	29639	25578	8310	7623	11024	26616	11089	32682	21873	26394	14529	0	16056	6207	Phytochemical	0.1904762	1.1904762	0.04761905
12	C21 H25 O4 N1	356.18564	356.18613	-0.06643525	356.1856	8931	9735	10023	10248	4099	7886	3171	9394	2541	32115	30415	7236	1965	3982	2871	11744	7900	2918	4083	54255	52089	5623	6137	9247	5761	74401	3804	34302	9864	5396	11197	7853	10628	6587	30902	7683	9189	6940	12441	19197	13267	5174	0	0	0	11751	17527	0	6628	7265	14311	8349	4931	0	1544	2102	3043	7874	0	0	0	10071	2303	3919	1734	4455	5692	10486	50454	84459	87754	6290	8224	6000	8130	5662	0	4911	4948	0	4708	1786	1525	22069	2966	1880	6033	4889	6020	25862	13775	2818	17816	14193	18381	0	11539	12026	2131	1968	1558	7983	8130	7970	0	10110	2335	0	5780	3612	Phytochemical	0.1904762	1.1904762	0.04761905
24	C21 H25 O4 N1	356.18564	356.18607	0.097723685	356.18567	14576	11733	11353	13535	8714	7265	3442	11543	5884	14841	29030	6753	3987	6921	8930	16166	9054	6935	7779	14546	20351	8128	4594	14774	7913	41535	6059	23238	12494	10444	6770	12587	11062	12693	11975	9156	9665	4947	12853	19814	32010	8717	0	0	0	13457	21201	0	10713	10259	10044	11300	9136	0	4098	4115	5729	11759	7592	8649	16297	17900	3778	4641	6299	10556	14344	9121	41607	32886	52936	10499	11470	7251	7164	9529	0	5435	10729	19466	7755	9535	7598	19664	4623	4489	12171	11376	8224	15817	10831	17074	15667	14165	13468	0	10598	15645	5250	6002	8768	10755	4552	15446	12163	14543	5411	0	8995	7333	Phytochemical	0.1904762	1.1904762	0.04761905
14	C21 H25 O4 N1	356.18564	356.1861	-0.030157574	356.18564	10048	7436	8578	12412	2708	5331	4864	7510	2432	28779	31583	4735	3311	4568	2920	11422	12504	2769	5705	36562	46918	8244	4607	12088	5772	68689	7483	28819	9800	8186	6496	9569	9676	9659	35361	9756	8681	4329	12907	29586	25180	7407	0	0	0	13460	19155	0	6206	6623	14065	12253	3326	0	3639	1740	1679	12398	0	9796	0	8839	1935	2944	2884	4758	9357	14446	41981	77883	85390	7594	3655	6899	7427	6998	0	4897	7537	15447	6928	2140	4157	20185	1863	0	11805	8572	6956	29981	19096	4594	16658	8884	22212	0	11255	9178	2424	2218	2574	4773	4204	6916	0	9620	2007	0	9060	0	Phytochemical	0.1904762	1.1904762	0.04761905
8	C14 H29 O9 N1	356.1915	356.1921	-0.011981203	356.1915	2675	4502	0	1948	0	959	1632	9719	0	30336	14712	1878	890	0	53450	0	5487	1153	1181	0	0	7074	2048	7218	3736	0	5186	18516	3636	3594	12242	0	3481	1021	22854	4052	4126	38849	2123	2249	0	1338	693	0	0	0	1470	0	7528	4359	0	2714	0	285	0	0	1494	4380	0	0	0	0	6348	0	0	4814	3007	4943	0	0	0	3747	2421	1314	2605	0	0	2190	1355	23826	1943	0	778	0	0	0	982	1683	1838	2213	0	14080	9368	0	0	0	2730	3195	0	0	0	3168	1730	0	13129	3330	0	0	1097	1081	A-Sugar	0.64285713	2.0714285	0.071428575
12	C14 H29 O9 N1	356.1915	356.192	-0.034325168	356.1915	71473	61838	68144	68112	51572	24933	13091	8457	23907	8732	38702	11668	17326	63130	11325	6320	8150	11483	13990	7333	6743	6749	14764	6621	15878	36146	4812	299674	10368	4327	14901	4314	12419	6692	14755	3046	2931	21623	21772	32690	13104	10426	42094	38157	22675	53579	17378	41322	3671	4858	61296	62519	24511	25311	56852	14935	110792	6649	615859	23574	18494	255388	49167	21163	213176	82927	80172	18473	30632	38301	25179	5384	5449	4377	5762	4958	20625	19721	19883	94219	17869	41012	19523	16113	44281	154894	16114	8067	22853	14315	18022	24119	4061	32739	7866	34698	71941	81722	50818	22394	21635	0	17958	9010	12425270	7119	49814	39487	16231	18931	A-Sugar	0.64285713	2.0714285	0.071428575
18	C18 H29 O6 N1	356.20676	356.20718	0.028565694	356.2068	238403	222803	229901	209147	179867	161144	222798	292348	138182	190867	144247	176345	251790	121473	205637	337543	298818	299352	336303	319499	300625	192799	221872	306351	178884	275498	199770	129293	320811	275827	201705	267653	309105	272864	160285	300993	297740	161826	286097	182400	198097	210936	8050	1228	797	204517	205944	920	284261	261475	216654	215420	184022	3420	256868	206972	130791	271512	138850	184965	315607	117915	202065	190423	114473	237541	200830	279091	214633	230748	254626	223921	229569	262788	309145	255349	634	155781	213372	161575	166195	118815	226991	181770	214963	177093	231659	197915	204328	247423	244220	238776	308099	118469	241848	2221	220607	265994	146978	178372	237259	369332	148054	305323	113636	214755	182863	848	171517	180121	Lipid	0.33333334	1.6111112	0.055555556
4	C18 H29 O6 N1	356.20676	356.2074	-0.028518133	356.20676	31520	37874	32495	31815	11045	12607	18537	45270	10434	28721	11463	19970	15874	9769	24342	40491	23319	13170	17986	47583	36845	44750	21354	29443	24240	11806	18197	9961	45876	33870	41106	46182	41854	34047	49284	45453	38639	20587	33253	40039	19624	13504	0	0	0	26807	23786	0	48508	37790	32596	25659	12209	223	16883	7439	6577	51103	13471	8910	44514	16125	14149	10964	4621	13591	15401	29006	13144	25628	17194	38612	35833	47365	26755	35713	0	26601	18556	16548	15223	12339	16971	16920	8898	9506	23918	10232	15577	40895	81032	76039	54584	25779	41528	0	32665	32811	8794	9076	8260	33311	19636	47059	14707	29346	8071	0	22151	15369	Lipid	0.33333334	1.6111112	0.055555556
12	C18 H29 O6 N1	356.20676	356.20724	-0.07172705	356.20673	35789	31750	35368	36561	30873	28112	39114	88474	31435	34315	14916	38527	39005	18319	45861	50800	94393	42726	55504	58239	67095	54356	55418	48392	49675	47224	24090	24685	78840	49468	60494	44934	70919	53555	67559	62196	53112	49906	76281	44892	44028	35867	1001	0	297	63116	44378	0	58262	54520	33066	27761	29811	676	46128	34609	21272	59732	32342	44876	40030	22766	37004	30442	18909	40913	35127	83097	39745	54810	47849	38088	49269	53185	46426	44550	0	47701	52605	34785	48630	32087	34856	25183	37939	32281	57717	24383	32636	73256	57924	66508	80088	26513	30996	0	39708	47077	27321	32660	44672	55576	37500	45727	0	54373	35540	388	45881	36051	Lipid	0.33333334	1.6111112	0.055555556
16	C18 H29 O6 N1	356.20676	356.2072	0.00245013	356.20676	164981	158308	183461	178457	120677	106708	181753	238533	101896	107006	99095	167466	173263	77523	168874	265313	285476	206152	225256	236943	218610	146972	197478	259603	150336	188162	158183	88658	240708	231674	179922	206133	221813	194050	125948	239652	198787	120906	230758	130599	148349	141753	5460	834	727	149550	173182	624	245957	236500	173888	163291	131527	2317	146561	165583	99317	228853	98248	159007	235529	78760	138202	122265	75996	147731	140230	225715	137301	162502	165758	190925	213311	236161	256998	198235	538	136916	173814	122405	125493	97684	210972	155557	176256	123471	190561	138375	145578	256525	166299	186146	256892	100166	171436	2581	164387	219780	97926	134841	218093	286983	114852	220587	83656	154625	131262	815	147946	125353	Lipid	0.33333334	1.6111112	0.055555556
2	C18 H29 O6 N1	356.20676	356.20743	-0.034106012	356.20676	34216	35335	32336	30713	6413	16906	29681	55875	6391	18033	12295	35130	6976	4304	26174	60636	37594	8942	26612	27602	26585	35444	19322	36553	19813	5736	26805	11416	56187	55728	67763	74232	40188	53056	26646	73505	35288	23324	46988	22831	25956	36920	0	0	0	20784	24431	0	55207	44859	30340	31415	9498	0	8300	3292	11615	73374	13052	9830	69336	12880	6370	8302	13417	10203	34420	51331	8970	16206	13652	46954	68331	119611	36437	51176	0	35121	21812	17693	20509	11783	12721	12313	5824	15408	25190	10525	21999	46932	37853	40506	56865	18286	23264	0	33512	32740	6033	4667	5813	32714	32740	37329	11030	33556	3507	0	23437	8141	Lipid	0.33333334	1.6111112	0.055555556
10	C18 H29 O6 N1	356.20676	356.20724	-0.05194342	356.20676	40881	41293	45073	37972	21549	18997	35624	64294	20056	46682	23882	38821	34148	16474	38188	55182	36819	32409	33162	57146	55678	62008	36137	65284	32192	22771	28958	17399	65477	64157	52848	65601	68165	52843	61115	66036	60553	33255	47488	44308	32874	26577	935	0	0	45653	39659	0	62884	60892	47956	45618	22237	587	27111	18238	15698	58788	17025	28476	52951	21202	23474	22916	11011	26726	26020	51504	27768	46907	30248	49618	52730	54867	47146	52241	0	38882	37707	23678	30231	24110	22882	19847	18014	17451	41234	19637	24762	54999	62554	51019	66552	28165	50216	602	44351	47154	14329	18331	23067	62053	30871	66884	0	47706	18420	0	31995	26533	Lipid	0.33333334	1.6111112	0.055555556
8	C18 H29 O6 N1	356.20676	356.2073	-0.039946243	356.20676	41890	46544	33726	38996	15608	22124	20184	55099	15713	44234	20394	26735	31249	11256	30812	52856	26666	22594	40219	66030	54557	57394	27542	49437	29908	20032	23448	13964	56861	49035	46534	63887	60241	47621	69904	55228	56680	23456	37550	40707	23662	18973	0	0	0	36265	26864	0	70221	44694	37788	44401	19902	0	24858	14822	11137	61865	12313	15031	48298	16436	22879	17523	10420	27130	23903	32091	19984	46879	34457	48417	51279	54559	30376	53683	0	30909	21957	21284	19631	14538	16366	25314	15115	9667	31809	17514	22614	50542	77615	78646	67996	24731	43858	0	38235	38388	12762	14013	15019	53229	23154	51349	9673	41723	10843	0	24110	31469	Lipid	0.33333334	1.6111112	0.055555556
24	C18 H29 O6 N1	356.20676	356.20715	0.047948197	356.2068	38102	38581	35101	34837	48247	36785	17742	29481	41772	41177	22042	19629	80262	33130	30805	41891	29449	72143	78394	48162	46657	26187	32947	39253	20026	34177	18562	19647	38855	29369	24065	32280	41458	31118	45275	33704	50558	21220	25885	34379	40800	28768	0	0	0	34243	35980	2255	34140	25728	36032	41449	37482	0	66887	46646	28437	39671	23095	26239	43030	26140	59847	52891	26519	59058	44015	25204	35720	47145	57346	30013	31431	31392	22845	27532	0	21225	35741	19704	23663	15428	20175	21302	50295	29720	30424	27339	30541	32100	35589	50139	40895	23385	34671	0	38097	35937	27532	43668	51580	41687	18162	36740	19625	28733	34081	0	20479	56419	Lipid	0.33333334	1.6111112	0.055555556
6	C18 H29 O6 N1	356.20676	356.20734	-0.057891976	356.20676	35400	43399	40626	38119	17687	19801	28381	52382	18117	41539	18076	24620	27040	11849	32973	49067	23414	21999	33546	57702	54348	58145	25351	41460	33423	19051	24339	22020	58979	49482	51904	55595	66924	47895	57690	55313	62417	25177	32023	37306	25729	16942	0	0	0	36815	26487	0	67808	41290	41154	43309	17105	0	23874	11713	9351	64349	11334	9419	52552	18903	23434	14617	7842	22258	19687	31649	17514	40829	26774	47368	49764	57487	28661	44492	0	32531	23098	20578	18567	10434	14814	19583	15183	12710	38304	16461	22951	53934	86642	80271	72439	30149	45461	0	39676	37202	7753	13653	16291	53006	25335	50929	14202	41773	11184	0	23130	29067	Lipid	0.33333334	1.6111112	0.055555556
14	C18 H29 O6 N1	356.20676	356.20724	-0.031283982	356.20676	91130	84085	79222	87171	55743	50073	76775	134029	52760	40561	41507	64577	85858	42512	88395	141990	176961	91817	101430	108190	124533	94425	97698	148683	101247	98066	62948	47487	136043	122654	76196	98887	131251	71287	79947	125196	84372	72757	144251	68663	84202	83334	0	581	561	106286	114997	393	95113	108213	94573	67224	56155	1075	95300	76906	40139	127502	57162	77460	149349	45180	71841	65431	42607	71961	71679	141319	63009	84647	84671	77247	90449	115472	137210	87113	394	74464	98742	65710	76756	66095	76885	56755	91372	69074	105302	65613	64572	141313	99763	89688	144384	63659	106584	1115	71211	120122	48673	100255	130470	136298	64834	137999	54645	91998	69043	0	72485	60667	Lipid	0.33333334	1.6111112	0.055555556
6	C17 H29 O5 N3	356.218	356.21857	-0.003382207	356.218	8230	5321	6448	6385	2266	2584	3714	7403	2723	3327	1687	3730	5408	2162	5195	7825	3375	3552	6299	6549	4724	7369	3619	9577	7152	677	3067	10206	6730	4096	5458	6009	10805	5880	5843	7579	8442	3199	5326	2466	936	2372	0	0	0	4176	0	0	8011	4788	7247	6104	3391	0	5935	626	868	8316	0	0	7811	1563	4856	2842	810	4221	3301	3805	0	8570	0	3404	5846	5636	2337	4755	0	4229	4622	37977	3470	934	763	1665	898	2548	4840	1380	3009	10340	102360	37819	15047	3457	2806	0	6245	7259	693	738	1478	6703	2674	5753	0	7808	1411	0	5216	4993	Peptide	0.29411766	1.7058823	0.1764706
16	C17 H29 O5 N3	356.218	356.21835	-0.057518274	356.218	0	1906	0	0	0	1495	1218	0	0	0	0	1259	0	971	0	2641	2336	0	0	0	0	0	0	0	1954	0	1119	13425	1916	2587	1848	0	2513	1536	0	2861	0	0	4027	0	0	0	0	0	0	0	0	0	1546	2552	1555	0	0	0	0	0	0	4989	1792	0	0	0	0	0	0	0	0	4007	0	0	0	1641	0	1575	0	0	0	1090	0	81554	0	0	0	0	0	0	0	0	0	0	35966	13422	0	1507	0	0	0	0	0	0	0	3151	0	0	3756	0	0	0	1033	0	Peptide	0.29411766	1.7058823	0.1764706
10	C17 H29 O5 N3	356.218	356.21844	0.01500635	356.21802	6233	6156	4529	5500	1236	1920	2189	5871	1140	2028	1989	2135	0	0	2502	7500	3621	0	1687	1946	0	3419	2323	4727	5260	0	3876	7927	8958	3921	4629	10957	10200	12864	1558	9106	7183	2788	4060	2422	0	3538	0	0	0	2144	0	0	8045	1954	5416	4518	2022	0	1187	0	1080	8697	0	0	0	0	1121	0	679	1700	1655	8416	0	0	0	2599	5019	2781	4894	4288	0	2191	1498	12158	837	0	1138	0	0	1438	2535	1356	3792	5681	189644	68764	7636	4209	1745	0	6672	3376	0	0	0	8278	1927	2894	0	5455	0	0	2427	1308	Peptide	0.29411766	1.7058823	0.1764706
8	C17 H29 O5 N3	356.218	356.2185	0.043341167	356.21802	7152	6807	6574	8426	1314	4371	4551	5005	1633	2307	2641	2403	3830	1827	3701	7630	7409	2095	3172	3974	1654	7063	3564	6732	5842	0	3498	20702	6751	3396	6139	7926	8440	14135	2841	5896	12212	3642	7614	2090	801	3061	0	0	0	4007	1553	0	5668	4058	6778	9853	1981	0	1964	0	1089	6998	0	0	4229	0	3347	1276	0	2862	2928	8623	0	2177	0	3965	4263	6180	4153	3622	0	3910	2362	89645	1594	782	812	1163	0	0	3096	3219	4143	7469	237493	103856	13669	9157	1940	0	7838	5508	0	0	0	8742	4174	3462	0	3545	0	0	4160	5051	Peptide	0.29411766	1.7058823	0.1764706
12	C20 H30 O3 N1 Na1	356.2196	356.22034	-0.031109305	356.2196	2053	4932	2763	0	1271	1651	0	2777	1010	1607	0	1771	0	0	1694	4050	3315	1195	1764	1797	0	0	1193	0	2247	0	1730	0	5420	3083	2757	9428	5984	7552	2079	4999	3326	1324	3543	0	0	2816	0	0	0	0	0	0	3299	1200	1683	0	1859	0	0	0	0	6512	0	0	0	0	0	1356	0	1741	1495	4544	0	0	1546	2591	6806	2967	2422	4222	0	3688	1154	0	1439	0	0	0	0	0	3876	1022	2009	3804	72386	57864	6124	0	1171	0	2273	2227	0	929	0	3176	1667	0	0	2947	0	0	2258	1215	Lipid	0.15	1.5	0.05
24	C22 H29 O3 N1	356.22202	356.2224	0.0677162	356.22205	11148	8259	10548	10691	5997	4451	4102	16659	2974	5144	9592	7666	1936	5986	8336	26503	17738	0	4230	6195	9657	8807	5373	14675	9936	29712	6875	12118	8769	16099	10335	16723	11135	9529	4497	16109	11173	7323	19713	7441	20169	6076	0	0	0	7402	13942	0	9465	17093	10091	11671	5615	0	3825	6677	5117	17866	4623	10856	18159	5966	0	1420	5841	6060	7492	21205	24466	10354	25043	6598	9124	19605	13290	13042	0	8349	17486	10886	10742	7622	6819	9796	5143	4342	16984	7314	4489	53582	12236	11360	28482	10319	10227	0	10676	12950	6163	5896	6654	14505	7610	11668	5366	25443	7140	0	13970	2094	Phytochemical	0.13636364	1.3181819	0.045454547
12	C22 H29 O3 N1	356.22202	356.22247	-0.023878366	356.22202	5236	4934	5333	5132	0	1355	31979	9791	0	15343	10103	2802	0	906	2138	22423	2396	0	0	15118	11778	0	2022	16455	4992	28607	38318	9049	4583	6212	5614	5323	9903	6271	11989	4843	6577	3413	1695	6454	0	1396	0	0	0	1943	5264	0	10163	8781	2476	4176	848	0	0	0	0	17145	0	0	0	0	0	0	0	0	1197	4588	0	26682	20343	4971	5061	5435	5080	5489	0	3602	3969	0	1986	0	0	4247	0	0	1426	1782	0	27189	3674	0	22746	0	7688	0	5050	4706	0	0	0	5391	3871	0	0	13109	0	0	1926	0	Phytochemical	0.13636364	1.3181819	0.045454547
28	C22 H29 O3 N1	356.22202	356.22238	0.11517325	356.22208	5879	5866	5580	3975	958	0	0	25916	0	0	0	7715	0	0	0	23432	3720	0	0	0	0	5664	4182	47078	0	0	0	1036	21446	45130	32107	30893	23123	11164	0	42191	18687	0	2486	0	0	5753	0	0	0	0	0	0	21185	32016	4753	7042	0	0	0	0	1170	33963	0	0	24766	0	0	0	0	0	2598	0	0	0	0	6224	17177	51476	5854	18471	0	12649	913	0	0	0	0	0	0	0	1556	2296	4613	5759	4301	1858	18030	905	0	0	4419	6010	0	0	0	28980	6114	0	0	36725	0	0	0	0	Phytochemical	0.13636364	1.3181819	0.045454547
26	C22 H29 O3 N1	356.22202	356.22244	0.15009087	356.22208	8898	10962	10322	9082	6433	24083	2347	38990	2131	3558	13559	14014	0	3724	0	47304	6012	0	9153	5861	0	13251	6384	48810	6550	17498	2444	7960	25921	32204	38077	34163	40682	19331	2038	42365	31155	2676	8174	9214	12288	14131	0	0	0	0	8309	0	22301	27047	11553	13326	6055	0	4512	0	4622	38109	2278	7280	50809	5437	0	3382	3354	2909	11509	10352	13896	5981	15030	11690	17411	28585	7912	23083	0	14655	10675	8456	2995	4269	4795	9836	0	0	11628	5062	8016	23189	11704	7102	55185	6400	6140	0	18056	9640	3774	6378	9229	43890	8760	8810	0	70665	0	0	9251	2708	Phytochemical	0.13636364	1.3181819	0.045454547
22	C22 H29 O3 N1	356.22202	356.2224	0.021948302	356.22202	6051	8448	5948	10142	2242	2242	5173	7172	1754	6052	6734	4673	0	0	3973	8701	14641	3050	0	5803	6358	7203	2679	10567	7038	23740	3402	6343	8891	8209	5765	6135	7959	3246	5286	8447	2887	3885	14922	8478	21029	4176	0	0	0	3878	11371	0	4907	7405	5439	7280	3450	0	0	1321	1666	11294	3158	13181	10893	6129	1815	0	0	2701	2762	15858	14204	16554	22390	5856	5413	5476	11837	4307	0	2685	4269	12096	6291	4209	7052	5485	2206	0	9107	4465	5486	33167	9278	8453	10817	8021	7287	0	2948	7493	1152	3122	1850	11999	4243	10113	5459	8142	1772	0	7278	0	Phytochemical	0.13636364	1.3181819	0.045454547
8	C22 H29 O3 N1	356.22202	356.22256	-0.04797368	356.22202	9098	7771	6195	9326	0	1057	6146	15134	0	10084	8943	9568	0	0	7201	17844	10212	0	1063	15098	13698	0	8924	12946	5832	6590	7651	7631	14980	14694	12596	15981	15459	16815	11210	16623	18329	6933	11402	7640	0	3894	0	0	0	2941	3165	0	16712	14254	6239	7553	1180	0	0	0	803	10041	0	0	12592	1870	0	0	0	0	2484	23949	3992	5496	8471	15504	15716	15466	16909	15137	0	9094	4536	2579	7272	0	0	7895	0	0	3294	5002	4018	19206	0	0	13096	3508	10205	0	8597	6830	0	0	0	18905	6789	5158	0	13057	0	0	4020	0	Phytochemical	0.13636364	1.3181819	0.045454547
14	C22 H29 O3 N1	356.22202	356.22247	-0.07792096	356.222	3172	3077	1930	1779	0	1590	6863	4235	0	7691	8374	1427	0	0	0	3665	1808	0	0	8648	10425	0	0	4542	1458	23759	8018	7682	2408	1221	4346	0	3249	2165	4723	4011	2524	2275	0	4499	0	2155	0	0	0	0	0	0	2945	2750	2303	1513	1198	0	0	0	0	2656	0	0	0	0	0	0	0	0	1809	3542	0	15309	12646	3013	2372	4137	3592	2777	0	0	0	0	0	0	0	3209	0	0	1643	0	0	6928	0	0	6335	2440	4612	0	2145	2265	0	0	0	4917	1951	0	0	5659	0	0	0	0	Phytochemical	0.13636364	1.3181819	0.045454547
12	C15 H33 O8 N1	356.2279	356.22842	-0.034787398	356.22787	3735	0	2090	4948	2817	1660	6922	2559	1521	1465	11648	1833	2458	2252	2982	0	16323	2018	1790	5157	1599	0	1907	0	1416	5119	16059	54343	0	1097	1347	0	0	0	1462	1656	0	3363	16982	1452	17950	0	6189	6483	4666	2642	30766	6765	0	0	5113	4140	1545	5776	0	2184	3568	0	8459	23151	0	6721	1634	1423	3786	1835	1731	17415	58059	8354	50757	0	0	1059	0	0	5947	0	2410	63932	2310	4348	1739	1423	3072	3906	0	2339	1083	17807	3325	4988	0	8613	8842	6460	3142	8670	4240	2474	3420	0	1399	10430	54597	0	4460	6852	1723	0	Lipid	0.53333336	2.2	0.06666667
16	C15 H33 O8 N1	356.2279	356.22836	-0.08765013	356.22787	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1249	0	1750	0	0	0	0	0	0	0	0	0	0	0	0	0	1715	1369	1585	0	1679	1149	0	0	0	0	0	2181	0	0	0	0	15500	2937	0	1776	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1746	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1485	0	0	0	0	0	0	0	6346	26861	0	0	2047	0	0	Lipid	0.53333336	2.2	0.06666667
14	C15 H33 O8 N1	356.2279	356.2284	0.02504307	356.2279	15570	15572	18353	20463	9314	3952	0	6699	2605	27001	22256	1794	11978	3386	2111	3053	6828	5434	0	37399	7880	13926	1882	5264	2937	1750	4327	31199	4804	3733	0	0	7024	1815	8554	4169	5781	2582	9337	30410	5732	2992	18942	6284	5380	75290	14165	5698	3852	2905	18600	17621	5533	12051	1472	3205	6565	15898	100113	10995	141570	62052	103711	0	23533	18689	17878	4343	0	80460	11005	2966	1905	4700	0	2625	5279	3156	2417	17145	3479	7672	1325	0	5378	18747	0	10166	3414	0	38444	29123	19510	11351	16707	5204	18212	25508	6602	1127	3413	9017	1683	35219	1923923	3295	3678	6579	2115	18199	Lipid	0.53333336	2.2	0.06666667
10	C15 H33 O8 N1	356.2279	356.22845	-0.084872365	356.22787	4779	6529	5791	5346	0	0	0	0	0	20429	37468	0	0	0	0	0	0	0	0	0	2418	0	0	0	0	0	1955	16480	0	0	0	0	0	0	4218	0	0	0	1169	19206	12547	0	1932	0	340	11204	24227	0	0	0	7044	5559	658	2746	0	0	0	0	126662	2581	0	64494	5840	1199	786	1030	0	1560	0	3958	6618	0	0	0	0	0	0	0	0	29304	0	785	799	0	0	0	0	0	0	1641	0	1579	0	12728	4315	0	4781	5827	0	0	0	0	0	10717	1074869	0	0	0	0	0	Lipid	0.53333336	2.2	0.06666667
24	C19 H33 O5 N1	356.24316	356.24353	0.023052657	356.24316	43598	45354	46760	47574	49883	45967	55458	36681	34262	60265	24592	21980	66063	66861	27066	63035	69866	63090	77413	43262	44892	27496	23396	37555	27805	13360	48949	34458	50109	48157	28719	54818	55748	47838	44528	72380	52684	22538	70468	27684	26320	33568	12299	0	0	34449	26301	0	63298	43585	44498	42518	46996	7815	58993	39129	25738	72441	31302	26601	54017	15279	46095	36107	32755	85931	76229	69334	7471	18661	14645	42154	40303	35898	48941	48524	0	25575	33628	39542	22842	20156	29624	19875	30421	34847	44141	35678	42722	70704	97109	70488	134919	23516	43753	0	44608	49905	27175	36196	47627	68673	17656	42223	41799	45912	30371	0	29019	56800	Lipid	0.2631579	1.7368422	0.05263158
10	C19 H33 O5 N1	356.24316	356.24362	-3.36228E-4	356.24316	9018	8840	10165	6228	1816	3298	17316	15575	973	3732	3075	8994	0	1639	5763	13489	14486	1907	2787	5598	3055	6379	3231	7721	7396	1170	14232	0	15821	13431	11962	14054	16611	9294	4090	16091	13476	6753	14005	3509	0	2866	0	0	0	3623	2975	0	19989	11130	8286	11327	2935	0	1164	626	1816	22686	0	0	14294	0	0	0	1994	3821	1920	17895	0	2680	1652	14829	17174	16622	12556	15576	0	8837	5900	5891	2710	0	0	2470	0	1468	25481	2510	4151	35793	21193	7922	17378	3217	4660	0	9693	7168	1309	0	0	14802	8398	5151	0	8703	0	0	7900	0	Lipid	0.2631579	1.7368422	0.05263158
20	C19 H33 O5 N1	356.24316	356.2436	0.046060838	356.24316	13791	18474	16354	21557	11043	16560	31738	20377	11054	9428	4927	14177	14061	17266	13191	30572	27341	16820	17900	7308	9270	6236	10474	18533	11737	12538	36760	10144	25121	25517	13521	23105	23781	18410	10923	29540	20105	11665	27743	5370	7043	19580	3439	0	0	11700	10690	0	27764	22496	22691	13131	13267	1846	12043	15139	9105	35767	7825	15633	29832	5264	18468	15118	10929	25145	25257	28052	7834	7985	8521	9910	20215	23372	32859	24401	0	12299	20040	28968	10876	7964	36382	20691	19290	11005	32010	14793	16928	36285	38882	28728	24978	9788	18741	0	20120	22566	7300	19421	21302	29214	12352	19044	5698	21836	17834	0	15418	17069	Lipid	0.2631579	1.7368422	0.05263158
6	C19 H33 O5 N1	356.24316	356.2437	-0.012230142	356.24313	9362	9143	12424	11325	1286	3038	16149	23538	0	5151	3866	10010	939	881	8545	20004	13921	2638	4496	6505	4132	9340	6609	12100	8378	865	20086	2270	19401	22115	16949	16246	16157	14615	6636	15775	14893	8304	16857	2613	1912	6551	0	0	0	6104	2586	0	36481	16649	9676	11269	2335	0	613	0	2255	23743	0	0	16411	1116	784	0	4741	3203	6382	18019	0	2315	0	20221	14971	16529	19337	16100	0	8582	8837	3740	5090	590	1179	3308	0	1998	29536	4242	4278	33878	19388	12482	11441	2851	6223	0	9672	12665	386	428	558	13714	8086	9062	0	13364	422	0	9942	1232	Lipid	0.2631579	1.7368422	0.05263158
16	C19 H33 O5 N1	356.24316	356.24353	0.057018828	356.24316	2476	5175	6362	4382	2830	2722	3238	5994	2010	2160	0	3121	0	3211	2215	8531	6734	0	2434	0	2679	3938	3523	4231	5089	0	4712	2944	7135	7450	4244	8021	6015	3693	0	5983	4173	3284	5489	2639	0	2509	270	0	0	1587	0	0	9782	6332	6045	4798	3008	818	0	1268	1827	22134	0	1711	0	0	0	1139	2362	3934	3031	6151	0	1474	0	8507	7148	10158	10324	11813	0	3362	5917	0	2406	1154	0	0	1545	2591	15142	3061	1942	45307	17020	2374	0	0	1850	0	5324	5455	1684	5709	6980	6167	1773	3992	0	0	2250	0	3385	0	Lipid	0.2631579	1.7368422	0.05263158
4	C19 H33 O5 N1	356.24316	356.2438	-0.004537698	356.24313	13565	12887	12142	13617	322	2710	13136	25523	280	6403	4664	13371	307	1655	12310	27492	18931	1670	3623	12043	6969	10968	9510	24669	14445	544	18411	0	19603	15876	19129	21517	18671	16986	8180	20098	15971	10680	23879	5453	3992	7665	0	0	0	6259	4911	0	26735	24177	12094	10186	4321	0	386	0	2767	23002	805	0	22676	2124	0	1071	2463	2694	7789	25409	0	1638	2072	17413	14647	20716	25648	16604	0	12359	15967	10705	12972	1354	2735	4442	0	2669	18704	4749	7618	27315	19975	9669	16922	6643	8030	0	12999	12274	0	0	605	17651	10244	16597	0	11742	405	0	15464	0	Lipid	0.2631579	1.7368422	0.05263158
12	C19 H33 O5 N1	356.24316	356.2436	-0.031154208	356.24313	2808	3251	3138	5135	0	3392	5871	6591	0	0	0	5596	0	1265	3863	7106	8992	0	2521	2678	1458	6942	2296	3540	5048	0	3407	0	10267	7568	8374	8463	13503	8284	4372	9696	10287	3332	5215	2827	0	2281	0	0	0	2397	0	0	8221	5826	6752	2783	2205	0	0	0	1136	10592	0	0	0	0	1130	0	2150	2582	2469	15952	0	1144	1480	7179	7960	8332	6443	6946	0	4326	4807	0	1702	0	0	0	0	0	14637	4535	5965	33055	20274	4259	9288	0	4140	0	2654	2927	0	0	0	6118	4602	3582	0	6358	1039	0	4718	0	Lipid	0.2631579	1.7368422	0.05263158
18	C19 H33 O5 N1	356.24316	356.2436	0.032100044	356.24316	5816	6768	5057	4794	2731	4953	9804	7294	3538	0	3842	6870	3102	4246	4478	15994	16598	4682	6741	3040	3561	4053	3888	6647	7296	2794	8453	2664	7632	9384	5680	12302	7528	6501	0	12071	9052	3655	17134	1439	1840	7637	356	0	0	3373	4644	0	8420	10722	5935	5385	6488	517	2691	5460	2905	7097	2614	7609	10760	0	4912	2404	3788	5304	7555	17109	1773	2338	1993	4562	6715	9368	15732	4993	0	3398	10588	10952	2336	3203	7426	5538	3726	4685	15814	4184	3979	12181	20627	4924	9435	3357	2855	0	4486	6568	3772	5941	14041	11397	5888	5127	2983	12639	3253	0	4669	5222	Lipid	0.2631579	1.7368422	0.05263158
26	C19 H33 O5 N1	356.24316	356.24356	0.091767006	356.2432	11110	7352	4790	11219	13498	8160	5825	0	15681	6488	6021	3092	14049	8712	0	10590	8125	11037	10235	7740	6566	7873	0	8654	9182	0	5170	13058	13915	7036	5286	8542	8748	8370	8102	9594	10748	4923	8032	7521	4156	6316	0	0	0	6751	0	0	7176	0	8768	9145	10393	0	32688	10156	4978	11801	7508	4986	9482	0	14126	7678	5540	19245	11196	7240	0	4647	2678	5286	8410	6701	0	6635	0	2736	4331	9452	3408	4526	6234	4116	9120	8036	10651	7201	6894	8203	27846	22173	19933	4980	6669	0	9895	8045	15066	13381	11371	11446	5528	9309	8600	5218	10697	0	5330	12619	Lipid	0.2631579	1.7368422	0.05263158
2	C19 H33 O5 N1	356.24316	356.2438	-0.0915357	356.2431	9281	9833	8137	8746	0	0	10712	20560	0	3694	2704	8547	0	0	8255	21436	16140	0	2037	5066	5161	7909	5288	15602	6416	513	10241	1620	13987	13465	13185	15946	11615	11012	5747	15111	11521	8651	19489	5247	7145	4328	0	0	0	5878	7954	0	17303	18096	7569	6898	2125	0	0	0	1696	16597	607	2275	14396	2592	0	396	0	550	4723	21996	932	1238	1361	9886	12208	15560	17611	13504	0	7043	10702	5895	9468	2200	3590	3462	0	1358	9706	2512	4098	20747	9276	6565	15214	5101	9100	0	8964	9266	0	0	0	11986	6085	11744	2553	9934	0	0	9306	0	Lipid	0.2631579	1.7368422	0.05263158
8	C19 H33 O5 N1	356.24316	356.24368	-0.0419987	356.24313	11996	12760	10002	13855	1663	3591	13205	30495	937	6080	2596	11383	1241	1191	7279	19177	22898	2559	3711	7462	4537	7930	5884	8254	9411	1103	15761	2925	18520	19352	25170	21083	20462	14187	10997	18949	21826	7085	27427	3569	969	2808	0	0	0	4419	1939	0	25595	26814	10337	10649	2542	0	1595	504	1831	17096	0	0	19760	1211	951	1125	3184	2755	5231	23085	0	4658	3798	15712	17077	16686	19231	17027	0	10128	7457	3733	4032	503	1018	2249	0	0	22602	3232	4534	35392	20861	8285	18211	2158	5362	0	13382	11909	1376	0	0	21579	8131	8578	0	11623	0	0	9705	0	Lipid	0.2631579	1.7368422	0.05263158
10	C18 H33 O4 N3	356.2544	356.25488	-0.11750696	356.25433	5349	4151	4558	4584	847	4960	0	0	0	0	1373	0	1011	0	0	0	0	1048	0	0	0	0	0	1380	3324	0	0	38054	1175	0	0	0	0	0	0	0	1218	0	0	0	0	1084	0	0	0	0	0	0	0	0	3540	4797	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	123905	0	0	0	0	0	1011	0	858	0	0	674320	173710	0	6629	3155	0	5563	5112	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22222222	1.8333334	0.16666667
12	C18 H33 O4 N3	356.2544	356.25467	0.082580276	356.25443	7360	8732	6985	7773	1080	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1751	0	0	0	0	0	0	1146	0	6207	9396	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1469	933	0	0	883924	299794	1926	14095	3855	0	8993	9421	0	0	0	0	0	0	0	0	0	0	1515	0	Peptide	0.22222222	1.8333334	0.16666667
24	C20 H37 O4 N1	356.27954	356.27988	0.048827592	356.27954	0	3300	3981	4111	1544	3893	64656	1532	0	0	2313	0	0	13010	0	5654	2343	0	1893	1827	0	0	0	1844	2687	4225	61508	6597	2700	4999	2400	1431	3050	887	0	3296	0	1895	5289	0	2134	5547	3660	0	0	997	2180	0	4539	8189	2454	1354	924	0	1664	0	1261	2764	0	6148	7906	0	6293	0	8207	2730	6920	4499	0	0	0	3466	1036	2751	3289	5627	0	0	3536	10663	887	1786	15077	16334	0	0	3414	3264	2270	11227	15524	10086	3081	1464	2662	0	5109	4786	1569	0	2094	1492	999	1975	1948	2080	0	0	2489	3273	Lipid	0.2	1.85	0.05
22	C20 H37 O4 N1	356.27954	356.28006	0.008112837	356.27954	0	1479	0	0	0	1788	22762	0	0	0	0	0	0	0	0	0	1701	0	0	0	0	0	0	1711	1253	2200	25995	0	0	1951	0	0	0	0	0	0	0	0	1813	0	1952	2208	0	0	0	0	1624	0	0	1668	0	0	0	397	0	0	0	1486	0	2208	1898	0	2556	0	3274	0	1319	3324	0	0	0	0	0	2163	2587	0	0	0	0	0	0	0	5455	4953	0	0	0	0	0	4580	0	0	2825	0	0	0	0	1432	0	0	0	0	0	0	0	0	0	0	3498	0	Lipid	0.2	1.85	0.05
28	C20 H37 O4 N1	356.27954	356.2798	0.10814782	356.27957	2874	0	0	848	0	4415	2281	0	0	0	1609	0	0	1169	0	0	0	0	0	0	0	0	0	0	0	0	1194	2607	0	0	1021	1192	0	1153	0	0	0	0	1142	0	0	29819	1249	0	0	0	0	0	0	0	1278	1260	34912	0	0	0	0	1007	0	1395	0	1499	0	845	0	1019	1568	884	0	0	0	0	0	0	0	0	0	1210	0	2863	1139	0	1536	1390	0	2136	2973	2056	0	0	0	1440	0	1547	2257	0	0	2190	1569	0	0	0	0	0	0	1104	0	0	1340	0	Lipid	0.2	1.85	0.05
6	C20 H37 O4 N1	356.27954	356.28006	-0.058342747	356.2795	6109	9807	6133	5423	0	4305	11338	25297	0	1326	0	7533	0	0	26712	16023	3372	2470	3650	2197	1120	3191	13568	17538	29573	0	10730	0	21176	18639	20721	21877	23403	12507	2424	19385	21696	15716	4501	0	0	8662	0	0	0	2699	0	0	26171	16256	8301	8325	8095	0	0	0	4861	17511	0	0	19400	0	0	0	2024	4008	11895	5309	0	0	0	16910	13509	13583	7851	11893	0	13143	5514	0	6486	0	453	0	0	7108	6584	4029	7691	3698	0	0	14933	0	0	0	7128	8689	0	0	0	16184	9751	3526	0	10354	0	0	10353	0	Lipid	0.2	1.85	0.05
24	C13 H8 O12	357.00885	357.00928	0.18159494	357.0089	0	0	0	0	0	0	0	3866	0	0	0	8027	0	0	0	0	1568	0	0	0	0	0	0	0	0	0	0	0	14105	23023	10964	1971	0	4364	0	7988	0	0	0	0	0	0	0	0	0	0	0	0	14838	6451	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7117	0	1303	16555	0	0	3711	0	0	0	0	0	0	0	0	0	0	935	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.9230769	0.61538464	0.0
12	C14 H12 O11	357.04523	357.04572	0.096728206	357.04526	0	3220	0	0	8899	1406	0	0	9307	0	0	0	15802	2799	0	0	0	3539	5241	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1322	1588	2344	0	5086	9108	1547	0	0	0	0	0	22311	9277	2941	8629	2798	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4596	1232	0	2501	975	0	0	0	0	0	0	0	0	0	5236	12114	8532	0	0	0	0	0	3703	0	0	24068	Phytochemical	0.78571427	0.85714287	0.0
24	C18 H12 O8	357.0605	357.06088	0.098040946	357.06052	5022	6699	5204	3928	16096	8931	3836	1175	13543	5680	3510	2985	21015	7830	4076	3241	1876	21120	20449	2104	3899	12451	7906	2574	2867	0	1320	1151	1318	1227	0	2050	3434	1445	8698	0	2809	2043	2531	1988	3144	3937	0	0	0	2665	4684	0	1531	0	5346	6540	7120	0	15844	10549	6983	2353	1383	2717	3248	3302	24564	11704	6078	16420	4297	2406	2153	2099	2668	854	0	0	3301	1653	0	1771	12629	6085	9646	2603	2145	2366	18419	7907	9417	6140	5756	3413	3047	1742	2877	17367	16235	0	5763	5925	9115	15368	18089	1655	2197	2085	2460	4057	12338	0	5315	22023	Phytochemical	0.44444445	0.6666667	0.0
14	C18 H12 O8	357.0605	357.06104	0.14588757	357.06055	23981	22259	18133	23150	31604	14964	6480	3610	35166	58580	41918	10779	51779	17383	11995	8830	5179	46258	46305	31533	40771	67133	15452	5987	6229	10952	6925	12851	1871	3365	2827	0	14248	4461	77351	2982	10340	12527	9533	22729	26546	13995	0	0	337	15342	26365	0	4275	3169	20453	17342	25917	516	36115	33857	16817	7429	8637	9672	0	15229	64198	36697	18771	42772	16911	8637	0	16724	20542	3866	2417	0	3451	5181	0	4902	26006	46975	22583	18119	7102	11601	38390	20639	27246	19075	15759	21639	9679	10876	17052	72360	51706	0	25748	24303	34701	42159	34491	10225	7047	7780	0	9663	26364	0	9837	48531	Phytochemical	0.44444445	0.6666667	0.0
26	C18 H12 O8	357.0605	357.06088	0.089286	357.06052	4213	4072	5478	3298	11645	6086	2246	0	10999	5266	0	0	18677	6414	0	0	0	21125	14891	0	4996	11925	5135	0	0	0	0	0	0	0	0	0	2727	0	8852	0	2475	0	2137	2448	0	0	0	0	0	0	0	0	0	0	3416	6406	6390	0	14712	7143	3969	1980	0	3268	0	0	17595	14248	2553	10750	3773	2018	0	0	4555	0	0	0	0	0	0	0	8927	0	7452	0	0	0	15425	0	7281	4486	5260	3810	0	2628	0	11752	15837	0	6422	5019	7802	13138	12728	0	0	0	0	2605	6624	0	3315	18259	Phytochemical	0.44444445	0.6666667	0.0
18	C18 H12 O8	357.0605	357.06097	0.13781992	357.06055	23366	29111	22867	25198	46879	26374	9767	5270	41031	42463	28792	8959	64954	28324	12732	11990	8920	65854	63248	26253	25586	49328	22933	11649	9237	12409	9733	12891	4690	5694	5911	4392	17976	6005	51621	3933	14666	12360	11141	24084	22921	16904	1554	0	761	16091	22345	1074	6990	3854	23689	26159	33975	406	51991	39641	25570	14195	13011	5554	13650	16216	77423	48341	19729	57116	28702	7141	17238	14744	23059	4392	2915	0	4454	5387	332	5615	34568	41516	25307	23020	7410	15862	53341	34254	30089	24618	27141	13306	13157	19863	18475	53485	68096	709	30055	18574	35675	52444	46439	9184	9022	10826	10929	11413	31404	538	13755	56101	Phytochemical	0.44444445	0.6666667	0.0
12	C18 H12 O8	357.0605	357.06104	0.12917687	357.06055	7994	14789	10807	14976	19402	7910	2257	2047	20284	29841	22485	4255	23717	7770	4005	5038	3397	16399	21188	11872	13633	29185	7766	4746	1979	3437	3976	0	2979	1134	1965	3530	6139	0	40680	2182	1835	6059	4015	9290	13039	6770	451	0	0	7302	12224	0	2475	2577	12805	13636	11039	0	22364	15569	7313	2820	0	0	0	4848	31515	16693	8401	20679	7173	0	0	6785	14673	1450	3013	0	3563	1407	0	2489	12131	14971	10671	10438	2038	0	21113	7236	6874	10630	8767	5631	4974	6388	4789	37638	31857	0	14022	12073	17007	21968	21067	3689	2803	0	0	4233	13560	0	2944	25823	Phytochemical	0.44444445	0.6666667	0.0
22	C18 H12 O8	357.0605	357.06094	0.087372	357.06052	11303	12508	7931	9042	23244	14064	6903	2088	25493	10056	6873	5338	29561	13020	7231	6278	6526	34413	21392	7206	5498	21798	9087	7172	6342	4400	4691	2581	2831	2035	4743	4264	7874	1976	14768	3026	5435	7597	7479	7401	6587	8415	0	0	501	5632	9473	0	3323	5540	13564	8324	15807	682	17445	21348	13045	4511	4128	3173	5746	4667	31975	21484	8985	29475	12806	6549	4322	5291	9116	2718	1816	1532	3100	5157	508	4448	17892	17866	18412	6812	3063	5935	35051	18173	15677	11027	15968	6383	2703	4136	10036	23023	30032	0	11991	11957	11995	26101	24166	5493	7011	3893	3318	8795	14924	0	6686	36831	Phytochemical	0.44444445	0.6666667	0.0
12	C15 H16 O8 S1	357.06387	357.06445	0.1953867	357.06393	6090	5731	6607	5380	16326	6895	0	0	9412	33273	27764	0	11479	2400	971	0	0	11815	13978	14587	14450	30246	1390	0	0	7960	0	13142	0	956	0	1295	2834	0	32112	0	0	1002	0	19267	24962	2216	0	0	0	3125	8178	0	0	0	5758	4295	8113	0	15010	6698	4044	2431	0	0	0	15543	5672	15892	2044	10119	2175	0	0	14905	18642	1356	0	0	0	0	0	0	1331	23695	0	5004	0	6910	6974	2867	3251	2228	4823	0	9425	14949	0	41699	48701	0	6779	9220	7892	7701	10670	2309	1912	2433	0	1364	8512	0	0	12072	Organosulfur	0.53333336	1.0666667	0.0
14	C15 H16 O8 S1	357.06387	357.06445	0.21171683	357.06393	9928	12570	8354	12597	14587	7109	0	0	16740	49915	25123	2234	27817	4922	1239	3178	2384	23878	14867	12361	22165	46947	1892	2747	0	11979	2361	19159	0	0	0	0	1923	0	58429	2339	2765	2482	1595	25822	25792	5516	0	0	0	7763	4428	0	0	0	10081	6280	8981	0	11607	9785	4148	0	6048	6598	0	24759	12807	12451	4622	10711	5325	2770	15190	15675	23750	0	0	0	2307	1923	0	1937	2775	22706	1051	4018	4416	12695	11647	4680	2975	6320	3660	0	20786	25710	3233	53118	52975	0	8739	9289	9247	11055	9111	2035	2520	6300	0	2107	9876	0	0	42300	Organosulfur	0.53333336	1.0666667	0.0
16	C15 H16 O8 S1	357.06387	357.06445	0.24206147	357.06396	4447	7970	8396	6256	13799	11066	1178	2025	14635	27932	12915	0	19614	7215	2287	3882	1550	19560	17069	9181	14297	30887	3440	1805	4110	4936	0	9897	1456	2460	0	0	2951	0	32868	0	3032	1557	0	23274	12684	7102	554	0	0	4891	3288	0	0	1134	7409	7547	8282	0	14046	8886	4673	4209	8780	1983	0	15500	13962	11757	2868	16879	5921	1653	12397	13729	10384	0	0	0	0	0	0	1247	4297	14068	2934	5620	2844	10261	10753	4584	1746	5761	6077	0	14535	29489	0	29854	34331	0	7561	10234	8643	7127	5358	2319	0	7028	4825	0	7770	0	2436	20229	Organosulfur	0.53333336	1.0666667	0.0
18	C17 H12 O7 N2	357.07172	357.0722	0.10782624	357.07178	10897	11367	5713	6190	3790	7579	11420	5029	4595	5599	3084	10875	6018	4848	10090	11301	20757	4946	4853	3103	5902	16837	12199	16161	12461	2023	14186	1521	5915	6658	10755	5864	12546	0	6649	5288	9675	9999	20500	9000	14782	9793	513	0	0	7969	8408	0	10156	5250	9589	10128	9351	0	7227	2723	7156	10516	2359	5019	9528	7200	5755	3260	7468	6233	6142	16807	5447	4289	12840	4554	2372	0	6546	0	0	7698	20179	10508	20187	5068	3043	6230	4301	5432	22397	13510	10690	32148	5778	4273	16668	16609	16084	0	8243	7921	2345	3511	3767	12254	7800	2462	4564	14272	2526	0	19311	9600	Phytochemical	0.4117647	0.7058824	0.11764706
16	C17 H12 O7 N2	357.07172	357.07224	0.21523099	357.0718	6149	4900	3267	4577	4766	3550	2545	0	5189	15073	6412	2900	5463	2771	2290	2485	4489	5726	7987	6808	10150	17365	2602	4224	1968	4578	1290	0	2095	1621	1151	0	3661	2125	11611	0	3561	1435	4780	11399	22779	2706	0	0	0	5821	8969	0	2478	1475	4156	8411	3573	0	6754	5669	4033	2534	3142	4054	0	8820	16426	6427	2323	6262	2701	4510	8683	7849	17874	1410	0	0	3983	2099	0	1486	6896	14775	4948	7718	3110	5919	5955	3410	5707	5052	3782	24676	0	5166	0	20312	22406	0	6296	3893	1997	4129	6218	2408	2248	0	0	0	3897	0	3543	8456	Phytochemical	0.4117647	0.7058824	0.11764706
14	C17 H12 O7 N2	357.07172	357.07227	0.197418	357.0718	7397	7144	5386	7385	5896	3218	0	1898	6113	13595	5113	1902	8614	4250	2321	4407	4818	7937	7512	5586	14236	17512	3161	3625	2164	5631	2977	0	0	1542	1864	0	5912	1587	14282	2090	3001	3225	8256	14278	18472	3863	0	0	0	3309	8618	0	2409	1924	4038	4755	5192	0	6326	5250	3412	0	0	7257	0	6518	12281	6929	4220	6762	5223	3747	0	7593	17821	1182	0	0	2707	1480	0	1278	7495	0	5297	5809	3070	5644	10310	4848	6799	6691	5601	9588	3555	6645	6237	22635	16382	0	6236	3805	5833	7797	8493	2404	1998	2538	0	6194	3786	0	4565	7508	Phytochemical	0.4117647	0.7058824	0.11764706
22	C17 H12 O7 N2	357.07172	357.07217	0.0805853	357.07175	6753	7836	8050	7969	3099	3742	6610	13277	2015	1984	1702	12594	2494	0	9774	22623	27187	3732	4658	0	4533	14048	13605	27206	9283	0	9408	0	12670	11435	8789	6890	9128	9111	4702	10362	9762	10091	27598	2576	8662	8391	0	0	0	4592	4174	0	13447	15807	8789	7657	4715	0	4505	1287	4053	18388	0	1664	24318	5376	2826	1274	7049	3412	4982	35050	2959	0	3285	11875	5531	3002	16872	5954	0	8829	12612	5750	16451	3524	1980	1429	1360	1241	12679	12091	6683	53835	0	0	27468	9541	6431	0	5754	9597	1471	2019	1942	14584	10199	2582	2359	25376	1076	0	22508	4117	Phytochemical	0.4117647	0.7058824	0.11764706
6	C15 H16 O10	357.08163	357.08224	0.08214361	357.08167	14143	17212	16083	17744	32933	16689	4045	6927	41687	16325	21687	8510	69420	14491	5338	7426	7339	39991	44979	9809	23086	17875	13244	7027	2227	0	4150	3318	3938	2674	4051	3451	11439	5050	19404	4840	8520	5706	6251	5271	10473	15995	0	0	0	4794	7466	0	3908	5353	16877	15085	24048	0	47875	49006	16807	6242	5105	8683	10534	5458	87824	47532	14440	42937	17670	11482	4911	2408	5861	6029	4057	3675	4922	3804	0	7188	12537	4994	10002	2629	1788	0	50227	19367	12107	17786	19369	10702	0	3996	5408	19898	13302	0	15449	13196	29710	69065	66014	9645	6272	5728	0	11403	40157	0	3735	81099	Phytochemical	0.6666667	1.0666667	0.0
12	C15 H16 O10	357.08163	357.08218	0.12655056	357.08167	73111	79230	78825	86503	154465	101880	24310	28329	235018	71640	82330	38683	314624	54236	35909	32659	33845	232587	223015	63471	82410	112915	62693	27222	9183	5196	19841	17158	26337	20616	25905	29847	59333	26087	94078	18210	59667	35857	32986	40646	86393	75086	2964	0	324	29582	42819	598	25550	24406	84303	84678	116146	333	340479	177538	76871	34676	38467	45312	30970	56567	401605	293650	55590	215894	86652	35752	53046	17163	50063	25307	23162	19716	32130	19429	0	36044	54445	50003	38324	29177	11489	9224	142998	65371	45693	70964	79436	41103	15171	43641	35118	96820	51186	449	84113	77905	150696	151029	126083	66495	36598	30797	23899	39569	127457	337	13218	413618	Phytochemical	0.6666667	1.0666667	0.0
8	C15 H16 O10	357.08163	357.0822	0.08534953	357.08167	48328	48971	37335	44182	84391	40940	8970	15753	111633	56187	65301	21278	186207	27083	20453	23239	23256	103317	96820	33774	71428	59764	32040	22267	3338	1816	12050	13627	11514	10794	11716	12966	26320	12827	67457	11185	29839	19579	23338	17828	56828	44781	1168	0	0	13459	27374	0	16382	12981	40791	44469	61435	0	126206	121379	46836	16187	12080	25347	13552	27822	205261	146448	38515	115092	45491	30318	11327	7154	27843	15719	13915	10415	18834	13638	0	19066	37227	29415	25570	9883	6446	4402	113111	37368	31463	46427	44953	23864	0	19233	20079	74382	57502	0	46131	40626	93383	160113	143375	31531	16955	22443	23924	16873	97612	0	7751	210823	Phytochemical	0.6666667	1.0666667	0.0
6	C14 H16 O9 N2	357.09286	357.09348	0.09107677	357.0929	9117	13209	7900	10464	12530	7038	2709	8623	15688	4298	6694	8653	21625	2837	3661	10179	10228	16984	20144	3444	8199	14436	10990	11329	1819	0	2534	0	5104	5695	6460	5889	11363	5000	6041	4553	7747	5366	9257	6056	8968	10623	0	0	0	3538	6282	0	6209	6285	10573	8585	10757	0	20577	14705	7834	7586	3540	5735	9002	4679	30372	20644	8094	16599	10762	11738	0	0	0	7571	4972	5309	5894	6065	0	4397	6977	0	5311	2998	1923	0	13396	8335	5047	17129	12107	16085	0	3027	13302	5209	3607	0	10566	7600	8459	16056	12974	12640	7982	5479	0	11918	9493	0	2611	35608	Unclassified	0.64285713	1.1428572	0.14285715
12	C14 H16 O9 N2	357.09286	357.0934	0.21405734	357.09293	4896	4567	6460	4283	7451	6803	0	7037	9744	2184	5804	7046	14732	3254	4765	2667	8734	13784	14191	0	5342	6121	9109	4900	2354	0	2355	0	3188	2932	4750	3472	11521	3038	4370	2840	7561	6889	5096	1843	0	8949	0	0	0	0	6307	0	5183	5927	6448	4402	7789	0	14778	7216	5518	6285	6087	0	0	0	23061	16500	5071	9759	7565	7456	0	0	0	6985	3502	2421	3589	2449	0	4780	4715	0	3833	1994	1471	1172	9014	6329	4911	11407	10138	10460	2924	3682	12776	0	1672	0	6638	4344	6372	5405	6582	10905	6202	0	0	7481	5945	0	2951	23931	Unclassified	0.64285713	1.1428572	0.14285715
8	C14 H16 O9 N2	357.09286	357.09348	0.13001476	357.0929	14998	15451	9642	14355	18037	11914	3046	9903	23587	7366	7387	14052	31439	4733	9850	12635	19507	24754	23661	4233	14641	18267	17113	12498	2200	0	3308	1542	8709	6706	7137	9772	12702	6023	10497	7585	15255	7946	12434	7560	16114	16029	0	0	0	4908	9208	0	8969	8362	12362	11886	14946	0	28478	15834	10922	10619	9815	12031	9782	8235	43709	33491	11787	24404	12480	16224	0	0	3561	8187	8533	5901	9404	7577	0	8989	8446	3616	8017	5216	2034	0	17339	7003	8785	21102	19049	21991	0	7111	24300	11732	3784	0	16113	16204	12724	17791	15354	18069	11068	8813	0	18301	11601	0	4201	46192	Unclassified	0.64285713	1.1428572	0.14285715
14	C14 H16 O9 N2	357.09286	357.0934	0.22732843	357.09293	15942	13162	11536	16114	12058	11784	7982	9678	11716	0	6308	16172	18116	0	10008	21372	49614	13422	19896	0	3988	9862	13076	22126	6294	4311	12576	0	7500	7990	9512	0	25912	9270	9385	12598	10818	11474	46284	0	0	13198	0	0	0	0	0	0	8064	7936	12440	13598	16472	0	20758	8558	8152	20546	0	0	0	2254	19398	17252	10568	15556	14840	40728	0	4037	5432	6822	7322	3038	28498	6856	0	10820	15358	0	12954	1404	2278	2119	18190	5748	15758	27762	13168	67694	0	0	31144	0	0	0	14122	17572	7262	6292	9776	23032	10908	5770	0	20622	7382	0	14104	22586	Unclassified	0.64285713	1.1428572	0.14285715
10	C14 H16 O9 N2	357.09286	357.09344	0.17607632	357.09293	10438	10866	8741	9700	12719	11061	3738	9029	22267	5039	7348	12389	24662	6181	8948	11233	15279	20093	23238	7219	11185	15690	16070	7587	3758	2160	4059	0	6295	4477	6850	5047	14635	4724	9547	5858	12643	7942	11032	5081	12310	15658	0	0	0	5144	5836	0	7188	7670	11782	11217	14602	0	24681	15445	9562	9722	7996	9034	0	6485	32526	21662	9366	16775	16202	17973	0	3586	3000	8418	5837	6401	9477	6058	0	10383	13953	0	8709	3207	2916	0	13755	6751	7762	16274	16290	22952	0	6677	24911	9840	4418	0	14131	11771	12987	11358	11134	11138	11887	7931	0	13684	10071	0	2307	32376	Unclassified	0.64285713	1.1428572	0.14285715
12	C23 H16 O2 S1	357.0944	357.09503	0.24019147	357.09445	4896	4567	6460	4283	7451	6803	0	7037	9744	2184	5804	7046	14732	3254	4765	2667	8734	13784	14191	0	5342	6121	9109	4900	2354	3627	2355	0	3188	2932	4750	3472	11521	3038	4370	2840	7561	6889	5096	1843	0	8949	399	0	0	0	6307	0	5183	5927	6448	4402	7789	0	14778	7216	5518	6285	6087	0	0	0	23061	16500	5071	9759	7565	7456	0	4599	6505	6985	3502	2421	6904	4001	0	4780	4715	0	3833	1994	2748	1172	9014	6329	4911	11407	10138	10460	2924	3682	12776	0	3718	0	6638	4344	6372	5405	6582	10905	6202	0	0	7481	5945	0	2951	23931	Organosulfur	0.08695652	0.6956522	0.0
24	C19 H16 O7	357.0969	357.0973	0.08878826	357.09692	15907	20826	19431	17480	28868	14427	3854	5416	34124	42940	27245	6134	36537	13828	7536	8292	3666	33162	30484	25138	31176	41610	14581	9158	5867	38425	3237	18160	3356	3235	3734	3044	9684	3538	56741	2915	9735	6747	4141	23535	28041	7498	2058	0	0	20260	25088	0	3252	3399	17894	17707	19814	0	30726	26616	15700	5165	6141	6713	6915	16996	42242	24247	11496	34469	15349	5770	44112	50793	74347	4036	3842	2733	4289	3851	0	5648	20671	31106	20939	15783	6891	20340	35002	18709	17164	8719	11694	9489	10052	15713	14133	39660	49555	0	15071	20573	21472	31050	31700	7904	4507	7878	14692	8667	23306	0	7933	40805	Phytochemical	0.36842105	0.84210527	0.0
8	C19 H16 O7	357.0969	357.09747	0.12334062	357.09692	10996	15008	8233	11027	8569	5712	5865	5167	12216	21591	15323	9888	11005	5015	5106	9222	7570	8028	10025	16256	19970	17519	9061	8107	3389	15222	4558	7647	6029	4616	5730	7879	7106	6998	22801	4710	8350	7003	9688	11028	22108	4267	620	359	380	10441	14683	471	7157	5242	11210	9301	6781	287	10016	7351	8100	6794	4985	9585	11007	8982	12074	10383	4507	9729	5743	11439	16799	16032	36748	6144	5200	5286	7284	7164	0	5591	10731	5293	11032	8441	5335	6129	10345	4610	9756	6237	7008	13358	0	0	12470	11803	13221	659	10892	11826	9772	12871	7155	7431	7134	4284	10300	8459	8775	328	5158	10558	Phytochemical	0.36842105	0.84210527	0.0
18	C16 H20 O7 S1	357.10025	357.10074	0.1499988	357.1003	25367	23863	23133	24285	21389	19645	6037	8189	17243	117799	33835	6689	34005	18054	8679	11139	9747	27939	26801	79473	52852	70665	7677	26526	11954	26099	7693	38017	9626	4464	14918	7586	10221	8041	112876	4598	10853	7016	10735	74379	22688	11323	422	0	0	26880	14160	0	8111	5719	24431	22202	37124	0	17306	16344	18728	12578	34566	11116	12024	49338	15656	18678	15172	22201	36086	8833	20194	62314	23939	5557	4301	2209	4688	4986	0	4254	8717	25698	5161	22477	21387	33466	14783	10642	9031	11657	17729	8966	65801	94099	17599	37008	75450	0	22980	22210	13337	17393	8571	8533	4791	23847	13137	11062	15902	0	8236	27644	Organosulfur	0.4375	1.25	0.0
6	C18 H16 O6 N2	357.10812	357.10876	0.13904421	357.10815	6863	9552	7281	6692	7953	4701	2498	3644	8394	25177	15220	3371	12167	3138	3214	5510	4120	7974	11059	18946	23379	16215	4925	5227	2226	12832	1860	7666	2847	2472	2894	4224	5895	2863	22934	2351	5500	3807	6105	13196	23561	3200	0	0	0	11048	21720	0	4555	4221	9388	6748	7574	0	10022	7070	3767	5319	1495	5152	4938	11800	13887	6203	3023	10452	5195	5871	23331	26987	42583	3785	2987	1476	2016	2496	0	2682	6779	8311	5733	7407	2300	8149	9605	4383	6844	6502	3707	12996	0	4943	9737	13752	18206	0	9495	8446	6305	7550	10029	6600	3277	4438	0	4313	7593	0	3058	13399	Phytochemical	0.33333334	0.8888889	0.11111111
18	C18 H16 O6 N2	357.10812	357.10858	0.119345464	357.10815	16773	17558	16108	16972	15405	7116	8734	10135	8800	35316	28625	5018	15715	10411	6049	12722	16515	13455	21769	19601	38228	40451	8829	20538	9774	31727	11291	20972	8484	7155	7513	6192	14150	0	42278	4030	14816	5369	16436	40626	42435	9821	977	0	0	22712	31939	344	7526	8027	18529	13489	13388	0	10522	11051	8517	11220	7370	17855	11345	23557	15901	14899	8078	17299	9879	16755	32643	42016	58126	4449	3973	3694	6134	5767	0	4476	17296	35655	13818	21467	11554	27580	8216	9560	20402	13500	12042	27613	25441	25715	30077	39356	48495	0	13490	14429	11016	14308	10699	9768	8300	10065	14984	16128	11632	0	13048	20561	Phytochemical	0.33333334	0.8888889	0.11111111
20	C18 H16 O6 N2	357.10812	357.10858	0.1475164	357.10815	11296	10369	10251	10853	8095	7726	4577	4854	7709	19206	16125	7751	6944	2946	3941	9305	9337	8578	5798	8366	16874	25580	4885	13217	5859	13689	3845	10188	4899	4598	6204	5188	8085	3626	15796	4711	6650	5683	8528	17933	32993	5329	673	0	343	12745	20669	0	6870	6243	12500	10559	7616	530	5617	3552	4629	8368	4849	10513	7227	14982	7668	6201	2899	5403	6970	11152	16555	8874	22187	3350	3940	1954	3832	4054	0	3426	10757	27529	8514	10758	4608	12395	4865	6446	13051	5851	6645	16115	8073	11479	16240	25700	21801	0	7287	10851	3486	8193	6829	9414	4150	6573	9256	12191	9360	0	9126	8535	Phytochemical	0.33333334	0.8888889	0.11111111
8	C16 H20 O9	357.118	357.11865	0.083046615	357.11804	239318	130739	186300	243532	191820	75338	65800	199628	148568	335126	246344	166068	333328	39533	171548	120115	201846	145662	331168	296500	320594	277092	227764	242986	79532	40563	130176	78242	86466	164854	84647	202862	111519	163226	388394	182120	219042	166516	228830	104544	264318	184010	1876	633	796	101287	224434	451	206924	96814	240668	233864	86852	646	464406	248340	73016	91281	200202	205670	124108	172684	361154	334912	61353	248328	173060	109975	97564	71551	118516	187078	93730	83357	136778	95028	436	156278	237318	64336	90190	112718	64460	90978	244252	71357	178388	78055	91612	102826	47502	86602	221070	102434	236982	1189	122104	249012	208842	268176	130380	124617	145868	127934	54826	171094	113393	643	52916	372524	Phytochemical	0.5625	1.25	0.0
2	C15 H20 O8 N2	357.12924	357.12994	0.060344025	357.12927	18540	16905	15368	20158	21835	17092	8864	20005	23259	8421	11346	17285	35991	7593	11826	3231	17440	31357	30250	8817	22574	28170	15609	18948	4059	794	1667	4096	20058	9977	21749	19424	34874	19733	18441	17170	23478	9510	18377	12431	15216	20515	0	0	0	9028	8365	0	20399	11454	16519	18231	22542	0	25907	15339	10960	25141	10191	13782	5565	5911	46843	30442	13058	31154	23264	25333	1665	3067	2866	18388	21309	13694	1531	16359	0	11675	11506	3899	11258	4945	5850	2803	17362	9580	10500	27257	25183	24780	8007	17754	33799	10150	2114	0	19540	17283	13090	19385	17812	16102	13685	13659	6415	29985	12741	0	8029	55064	Peptide	0.53333336	1.3333334	0.13333334
4	C15 H20 O8 N2	357.12924	357.1299	0.04591571	357.12927	33299	35005	30293	27952	21256	17880	13451	34034	29313	17905	19813	28120	39318	10484	20481	30012	53799	37360	36986	20998	27393	44698	29077	36773	8962	1525	17203	0	24474	23758	27377	25716	39063	22463	25902	27220	35595	22240	64658	18782	34185	27774	0	0	0	19442	36114	0	28613	29162	27977	27172	25257	220	40202	27135	17226	29939	25569	40346	34765	16692	49321	36242	24303	31650	24167	59401	4963	4569	3960	25163	28357	27559	13823	22464	0	18257	20909	9937	18910	13527	13050	6404	29103	18553	17837	35351	27850	45468	15125	24746	58663	19430	16404	0	24978	35815	24047	31331	27126	36521	22050	33896	15126	36478	25445	0	13989	55231	Peptide	0.53333336	1.3333334	0.13333334
10	C20 H20 O6	357.13327	357.13376	-0.04706732	357.13324	50809	55709	40365	40871	28342	17359	36076	55703	30803	57349	39664	39142	26808	18189	36008	56253	41584	26775	33364	59234	70831	61881	39720	60923	34885	94110	39694	36214	43184	48505	45771	54175	51660	36826	67032	46337	41147	36325	53408	53188	67009	25646	4697	1871	3134	61011	59715	2693	51097	51322	48214	57138	24845	2197	38937	26952	21960	58549	38979	47549	58195	37166	29828	28094	18406	27995	22826	63953	83010	96575	115342	45750	44079	49161	46019	46504	2141	35794	55307	25251	51982	45099	48524	39580	34399	22937	54252	21245	30684	55723	28472	41955	58510	38714	50744	3799	50453	44219	32176	34809	28325	41039	39592	51046	37140	45073	26055	2236	41790	29181	Phytochemical	0.3	1.0	0.0
8	C20 H20 O6	357.13327	357.1338	-0.08895367	357.13324	20383	21983	14013	22091	8909	7865	12997	22766	11818	21992	18354	17524	10574	6883	16460	24577	18690	9920	14323	26950	30403	24379	20039	28061	12505	21333	13279	15160	21058	18375	20179	20227	17529	14942	26539	20942	16335	15352	20747	27141	25762	8731	2418	1173	2046	25645	26363	1873	16938	18522	20306	19091	11099	1179	18071	11684	10577	19158	13358	21036	25134	18167	12584	12742	9538	10610	9025	22093	22701	29799	46641	19431	19567	19068	14292	22226	1512	14764	23976	11101	22211	18189	18643	17469	13750	10837	20767	9194	12251	22351	13246	20272	23899	17053	19788	2261	19348	19015	16499	15301	12267	17216	18418	22539	17263	18098	8858	1536	16999	12351	Phytochemical	0.3	1.0	0.0
20	C17 H24 O6 S1	357.13663	357.13712	0.14992207	357.1367	19157	16417	22011	16015	20117	16696	7448	7084	10907	18168	11660	5820	23772	7575	15382	14177	12239	22442	17770	20633	22638	24626	20692	10401	13307	9942	8163	13494	8525	5047	8298	9575	12902	10501	16787	7549	24050	8944	8494	23370	15699	11659	0	0	0	15496	10780	0	7792	6018	12470	13486	17688	320	10752	13291	9189	19049	19514	10114	12146	18178	11144	12636	8592	19930	17196	11202	14251	22012	13766	6090	7776	4328	6672	6691	0	5653	21186	17018	6422	9593	13286	14408	15064	10953	13222	8954	15520	12046	64039	59538	32392	22462	30492	0	19361	16708	14819	19588	20082	13950	5359	22835	16535	26342	13196	0	10332	18601	Organosulfur	0.3529412	1.4117647	0.0
8	C19 H20 O5 N2	357.1445	357.14508	0.034852847	357.1445	36038	42371	35019	39519	15718	16186	18090	29169	14856	79276	52781	20592	19275	10729	19147	33726	27413	20419	29318	89715	96808	52992	25471	37026	20651	98972	15689	52615	20140	17740	27408	24835	38504	20813	91729	20892	30408	16296	32774	73336	75872	18068	0	0	0	42265	65803	0	30666	22706	32859	38215	16792	0	19001	13676	12582	24774	10532	23064	37664	38842	18399	20956	7991	24244	17119	37461	91272	138831	167314	26004	19873	15904	22196	22711	0	14791	29319	41478	20588	18517	13937	46169	16600	7869	32128	23909	19983	62049	33705	34223	57153	48796	82318	0	35452	30745	15662	14186	10326	29277	17554	26828	14867	25762	9467	0	22407	21266	Phytochemical	0.2631579	1.0526316	0.10526316
4	C19 H20 O5 N2	357.1445	357.14517	0.051427074	357.14453	7660	7649	6462	5780	4212	4142	2251	6744	4507	14929	10215	4111	7867	3415	5287	6994	7834	5364	6705	13216	20719	11396	5464	7443	3869	21125	3264	10176	5619	3784	4217	5985	5737	4638	17784	5290	5979	3989	7824	12163	16427	3188	0	0	0	10184	16036	0	6730	5089	6901	5858	4253	0	6141	4898	3548	6425	2230	5410	6805	8562	5244	4048	3192	6152	4024	6258	23112	23706	29381	4597	5092	5009	2972	3406	0	3574	7808	10382	5919	6538	3035	8855	5425	3380	5601	4203	4099	9482	9403	5162	10063	12536	15703	0	5484	7071	5131	7424	6339	6679	3469	6862	8196	4785	3182	0	4758	4274	Phytochemical	0.2631579	1.0526316	0.10526316
10	C19 H20 O5 N2	357.1445	357.14502	0.0440189	357.1445	33845	30624	31480	27986	20568	15715	16373	26739	14442	73891	59142	13843	13658	14977	12466	27531	27914	16631	25997	89529	85099	50355	16884	39020	19245	106088	17314	55512	18379	20726	18700	24084	27342	16925	85051	19228	32069	14652	29137	78336	90082	14303	547	0	0	45571	61429	0	25214	24665	35279	39967	21729	0	16821	9258	8989	27427	12037	22567	26464	35175	17951	14603	9255	19958	15604	33538	106158	132694	142532	25684	17415	16793	18208	21102	0	14884	26459	42612	23341	21923	15039	55232	13501	10827	24249	21705	16915	42963	48678	31771	46351	50940	68329	0	35797	34429	10990	13239	13131	21955	12976	32434	21877	26003	10931	0	24698	18973	Phytochemical	0.2631579	1.0526316	0.10526316
20	C19 H20 O5 N2	357.1445	357.14496	0.12863666	357.14453	11764	10032	11867	14564	9283	9196	6806	7734	6190	19934	24130	6822	3426	7620	7225	13399	13473	6455	8708	20296	27714	17534	8299	17478	7965	21037	9028	30263	6660	7703	6534	7421	14054	7466	13887	7115	9030	4793	16149	23239	37608	6164	0	0	0	15303	14568	0	11840	6265	11440	15205	8885	0	4401	2267	5437	10202	8684	9647	12191	15735	4953	8240	4189	7079	6951	10454	24948	17326	43296	9228	6539	3233	4954	5844	0	5385	12465	26159	6142	12514	7121	18335	5398	3833	12450	8494	8452	17750	24738	19040	22657	22893	21840	0	16548	10801	4418	6219	5449	13225	4202	13504	7325	16436	5438	0	9929	8344	Phytochemical	0.2631579	1.0526316	0.10526316
18	C19 H20 O5 N2	357.1445	357.145	0.1547167	357.14456	23851	25957	27321	24545	12013	16272	19597	18349	9769	30936	35210	12527	18331	17538	17202	26221	22007	21318	19568	30234	41421	35146	15183	28155	18043	48765	17642	36920	16717	17457	17272	18827	27006	23762	31348	14525	27896	14379	25801	55913	62232	14320	589	0	0	22827	38762	0	17256	15637	19082	21520	14307	0	20122	8485	9119	28738	14183	23417	17182	32399	15252	16021	8551	16760	16660	25946	50186	60817	75571	27897	21196	8233	11877	15886	0	12768	24375	41580	17014	26545	13529	35543	10566	8791	28504	30442	13016	39816	26283	35077	45828	30172	44377	0	18196	25079	7504	7839	11560	28051	12253	21908	18997	22583	9434	0	25455	12855	Phytochemical	0.2631579	1.0526316	0.10526316
12	C19 H20 O5 N2	357.1445	357.14505	0.10168355	357.14453	28428	26530	33301	37644	20909	16893	27194	26723	14178	60403	42847	14031	17979	14002	17043	26009	27455	19543	27631	75000	87296	52623	24673	33417	25271	100778	20278	53794	20295	18579	24817	25823	32429	22338	82964	19631	26917	18296	33181	75661	90259	17320	0	0	0	43669	57981	0	30625	21939	28908	26728	19528	0	18698	14413	13381	29265	15334	22571	0	42782	16367	14060	12889	18540	20890	43656	77163	125922	160627	16135	19841	18659	20808	16992	0	18006	22285	35350	25344	26074	25754	49870	13170	11047	25519	18802	13319	68868	35666	32789	48010	49075	55197	0	35008	32198	13415	17641	13293	24947	12787	24100	0	32929	13351	0	24518	19415	Phytochemical	0.2631579	1.0526316	0.10526316
26	C21 H24 O3 S1	357.1519	357.15244	0.2959374	357.152	0	0	2906	0	0	0	0	0	0	2450	6884	0	0	0	0	0	0	0	0	6120	4847	3100	0	0	0	27943	0	6606	0	0	0	0	0	0	3296	0	0	0	0	7009	9920	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5450	0	0	0	0	3361	0	19752	8525	18658	0	0	0	0	0	0	0	0	6616	0	0	0	7460	0	0	0	0	0	0	4115	3816	0	7002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14285715	1.1428572	0.0
6	C17 H24 O8	357.1544	357.15485	-0.05729223	357.1544	34604	61436	61044	35696	13052	17674	31056	86420	25488	26190	21930	30406	23476	22252	59444	79108	38516	56712	73832	54548	32990	65804	29942	91160	21970	11248	31480	15746	38084	43456	77068	78932	79172	26500	62844	39462	39574	54818	95484	14508	53220	43076	0	830	1154	38730	39684	848	43190	74808	62140	56928	20884	1034	44652	25258	16480	76578	39144	68696	99556	16784	62824	48508	21156	21760	18374	92612	11648	16192	22766	67776	32946	82584	15754	71300	662	25926	31188	0	54784	51768	65476	14034	30628	23078	55860	34592	43364	27262	23780	48556	81400	38056	44860	1354	26278	36116	38868	40964	32526	44588	29826	93648	23888	63140	36044	752	46760	29664	Lipid	0.47058824	1.4117647	0.0
12	C17 H24 O8	357.1544	357.15497	0.010738472	357.1544	472980	482642	250075	242937	300974	280856	434204	315339	404468	461092	152359	148111	205531	81473	503870	278310	204602	501840	565146	578184	251330	277599	518668	572012	421014	121983	182198	151083	288404	446382	251648	494958	633650	234749	578970	491678	500690	446002	443058	375702	170236	314126	4891	1299	1170	422656	159583	1214	287311	494608	240226	455990	334024	1818	691726	329416	244974	295922	286306	184646	299389	279558	512974	224899	191560	418356	336932	204094	130665	414790	157616	478782	457220	516018	196625	225757	868	411320	448204	100390	431950	144300	437398	128501	350292	294588	435494	243646	178485	241259	397386	562020	604706	132726	359810	2832	246743	280137	303186	323838	346496	545202	172765	559872	137773	424290	342882	1302	355660	496360	Lipid	0.47058824	1.4117647	0.0
10	C17 H24 O8	357.1544	357.15494	0.006470848	357.1544	248978	444468	481564	470472	143532	140090	400156	643940	345640	219618	264804	190470	410832	68152	510812	318996	219472	452272	538152	565496	242454	518428	469852	699688	423380	131300	197928	134826	615324	528040	502740	292794	618588	474628	519908	557604	623251	214232	269438	183444	141116	295764	7728	1930	2368	254980	349748	1606	312408	275872	224042	474776	149384	2288	338920	321620	224564	644040	284992	363088	349332	245496	403912	406304	102754	402032	169836	484388	131040	175900	148162	258004	513368	572368	224552	251234	1282	207490	564128	154856	456544	306736	465528	111584	395700	303316	485136	127352	318808	225038	173908	479944	343828	139280	211620	5710	502588	524256	288128	322716	367308	596400	188238	634952	127184	482000	314316	2186	369884	224112	Lipid	0.47058824	1.4117647	0.0
14	C17 H24 O8	357.1544	357.15488	0.01585267	357.1544	755822	730332	750794	726420	575896	557312	307429	894348	446248	459663	253586	234745	506213	175106	751906	370774	265551	1076180	516554	1077880	993832	411756	696074	795838	684546	227124	259049	288107	888838	727892	651466	466228	532224	658754	612041	851858	940016	617512	543120	711206	206656	606882	11379	1932	1793	605076	215998	1828	811012	317385	711714	666176	630324	3196	1476168	314696	431690	888962	456768	225389	416165	264778	472269	974224	194788	795614	662104	487620	205276	421335	256350	719172	363984	788704	513706	711214	1341	617492	693502	203960	632634	205432	617268	204250	309389	252296	706498	461174	631452	281620	375728	857024	972284	199031	273975	5255	721386	418284	256119	307722	301677	901380	265858	928118	205346	647140	285615	1744	499086	903416	Lipid	0.47058824	1.4117647	0.0
6	C16 H24 O7 N2	357.16562	357.1662	-0.014074856	357.16562	61060	63796	50916	58999	33315	36148	36151	77817	42693	50505	23246	37621	51724	17016	53603	68859	45679	65065	62805	49834	55284	91550	48891	85910	37593	4228	32291	21514	63848	59505	64284	75370	95024	57650	65119	61605	87943	51554	58627	40570	40848	35948	0	0	0	49050	47878	0	80395	57335	68817	60473	40525	0	63445	23338	22401	83477	57989	42661	78194	28861	54301	43808	21929	49153	43341	67288	8646	15772	14383	66673	61636	60833	28849	49957	0	41832	39586	23038	34568	26654	34882	15860	34098	28830	45083	40152	43918	78753	67827	100937	117771	31608	39045	0	61659	55835	20018	24343	28616	77639	40180	82342	23363	67164	33220	0	35013	76295	Lipid	0.4375	1.5	0.125
14	C16 H24 O7 N2	357.16562	357.16617	0.04769513	357.16565	278060	260782	248230	263572	159365	133516	256022	321087	170346	218252	167040	195953	164934	88328	237512	300008	261533	201816	235292	288242	254905	279263	236197	307399	225525	324809	228543	211599	259730	244088	259009	297770	322214	227095	252633	294635	311596	211206	288104	216971	252161	154351	6597	2951	2624	220942	226789	3256	280010	242564	265849	247731	159586	2754	199965	140992	133754	355892	229479	226526	328242	145269	194140	183111	107519	179215	163974	276265	220264	328145	409581	228913	241557	277650	249264	262499	2176	195177	282715	163000	241411	175136	213730	151152	186066	135319	283974	160247	185688	387259	328211	339773	417495	162811	186630	3780	267383	233526	127029	161055	171070	274974	188076	285577	132708	260853	145054	2326	251782	175764	Lipid	0.4375	1.5	0.125
10	C16 H24 O7 N2	357.16562	357.1661	-0.023701368	357.16562	78174	160064	154354	64783	77284	39983	60024	111859	44079	59819	32744	64418	49473	17901	87444	108722	65015	77892	71590	78687	63763	106047	76249	120409	77063	7653	130100	27440	106495	87603	95076	116617	123092	96387	175082	110640	126251	70814	73416	132676	86384	49613	1093	998	0	75166	52171	981	214754	89138	162590	74942	57123	544	73385	26143	66646	111536	111782	47939	104434	79138	40464	46836	60344	119380	46677	71113	10860	54968	17428	105938	89255	106867	57340	87183	0	68104	59722	30230	54923	44325	129896	24512	32803	38748	139624	91798	100390	83699	102794	127781	163892	79604	121774	1170	75249	83070	24619	23499	26784	113448	62839	100729	38825	97113	30512	0	58822	64963	Lipid	0.4375	1.5	0.125
2	C16 H24 O7 N2	357.16562	357.16632	0.08346306	357.16565	72521	71432	71924	69392	567763	117727	21859	40546	34137	22688	14328	28015	71832	1321539	37071	22902	29679	63116	51495	23920	29809	46055	29634	37090	13724	1508	8802	15048	202716	33532	52751	284927	66308	255134	35575	450171	48314	28546	35200	23278	17813	37513	0	0	0	20898	14211	0	157628	26578	64516	65110	44032	0	47179	15461	14449	65241	22475	15488	24367	10763	75997	43740	11791	62681	43848	40362	4297	9822	6786	37400	348094	172683	60528	124399	0	32533	22382	11775	27484	10042	12199	5065	25048	19490	25737	217794	430570	56217	35195	44454	73641	13270	10095	0	66450	81101	18265	21140	21792	35895	25478	33067	9766	44479	23083	0	17954	96073	Lipid	0.4375	1.5	0.125
10	C21 H24 O5	357.16965	357.17014	-0.07922424	357.16962	24745	24767	22468	24988	13372	10223	22849	35139	16320	18759	16340	23633	11852	10065	20816	34184	28660	13553	17330	36127	26947	27253	22576	27057	21809	32530	30079	17153	25964	29443	24323	27190	23608	17965	27935	27008	24970	25970	34442	24467	28335	10500	3961	2285	2423	22858	28456	2748	30941	29024	29206	27643	14177	2052	21294	14477	15405	33044	23354	27973	32162	14096	14545	12254	13593	13261	11611	39622	24378	31910	38812	22503	21159	27833	27722	33110	2232	17691	31310	15603	30965	28296	30616	18281	18175	11208	32344	10532	14741	38397	21171	27040	28861	18294	24955	4062	22707	27372	13684	19699	19803	26765	21789	35359	15691	22583	14527	2453	28627	14680	Phytochemical	0.23809524	1.1428572	0.0
12	C21 H24 O5	357.16965	357.17014	-0.026656233	357.16965	91669	91829	75558	90811	42406	27078	74258	89129	43570	61607	56439	51681	31990	25808	50816	99321	86597	34629	56942	94169	78522	81425	62268	95794	53710	94240	81364	41272	61354	78478	65757	75628	70116	55244	71699	69234	56690	60097	98754	57818	89398	33665	3750	2327	2272	71640	96277	3924	82117	82076	90333	95209	38104	2113	49334	42741	38742	92886	60810	91620	94501	36031	48381	36732	26718	38410	36402	88983	86337	96586	116890	52548	60256	77846	98577	80990	1857	51937	77416	47967	72803	57921	65169	45638	55892	32697	75515	30079	34974	112354	72146	70395	89296	44013	65730	3562	84148	77883	39777	52742	54934	90940	55775	98061	52351	66282	41064	2190	70494	43730	Phytochemical	0.23809524	1.1428572	0.0
2	C15 H24 O6 N4	357.17685	357.1775	-0.106210254	357.17682	10640	11964	9398	12078	8885	0	7825	12140	12840	2271	4447	9470	11080	3081	10606	4045	12738	13876	10190	2585	3607	10483	10916	10505	6186	0	1545	10672	12519	5890	12059	11381	16402	10903	5390	10277	13921	8911	13673	1882	1322	7954	0	0	0	3616	2217	0	11781	6786	11526	11599	10652	0	10840	5437	5614	16895	3791	2766	5664	769	8748	9339	5955	13580	9923	15804	0	998	983	10399	10172	7507	1559	8419	0	7897	9358	20911	7563	1801	2921	558	6966	6658	11642	11896	10430	24988	17199	13628	27269	4660	692	0	12155	11325	8748	5652	5413	10452	9535	4167	1744	19122	10464	0	8558	14852	Peptide	0.4	1.6	0.26666668
18	C11 H25 O2 N8 S1 Na1	357.17917	357.17984	-0.20727347	357.17908	20244	14984	12713	22238	7393	5628	12417	16135	7217	18318	23058	9055	7044	4853	9170	28190	14181	4283	5068	23857	20686	43128	11661	24510	15381	25531	11898	20503	13563	14119	8838	11123	16324	13762	16861	8804	17297	6355	20409	30407	43143	9691	404	0	0	26632	31294	0	25276	14360	18433	19614	6646	251	7697	2619	3112	22416	5022	16305	16746	12897	4591	0	4091	6249	8407	21055	28973	29963	42766	14545	11228	7367	11212	11300	0	7361	15489	29198	10033	22549	13844	20906	7073	3551	15152	8325	7231	131059	26972	22048	95403	29961	42937	0	20726	17717	2614	6054	1668	20380	9011	14721	16906	41026	3194	0	24902	7559	Organosulfur	0.18181819	2.2727273	0.72727275
10	C20 H24 O4 N2	357.18088	357.18137	-0.01645238	357.18088	13731	18265	14929	13456	6046	7370	10085	24482	4422	30146	25347	14009	3550	4631	8419	24518	15352	0	7184	42765	42989	17013	9667	30706	12936	44067	11989	26503	20149	15265	13937	21749	19227	18102	26705	20234	20454	8396	22897	32931	23559	8209	0	0	0	20813	19789	0	22003	14589	16983	14813	6624	0	2924	1244	2900	19973	0	7052	21343	12630	1988	4382	2769	3701	9572	25127	27093	52709	47969	15700	12007	14087	15109	15663	0	13330	10186	16061	9629	3457	3346	20962	2937	3558	11356	9821	8862	29975	24110	6128	32422	18308	36263	0	14302	18064	2986	2362	2657	18271	9784	17592	0	19612	3963	0	12408	3159	Phytochemical	0.2	1.2	0.1
14	C20 H24 O4 N2	357.18088	357.18137	0.05197542	357.1809	17664	20463	13184	15682	4589	6006	8626	15847	2260	20023	26092	10226	2327	4264	6945	21110	19481	2995	5207	31692	35901	12835	9993	17250	14212	36094	10426	19210	16395	13903	13399	16060	22977	13965	18666	17488	18795	11825	24275	24516	31540	9193	0	0	0	14768	18711	0	17427	17097	15311	14131	8439	0	4357	2511	3992	14377	0	15847	0	14169	3348	2036	3709	4101	4260	25300	24851	40057	47815	15617	13508	11209	18348	12249	0	9723	14592	14988	11842	6394	7727	21844	3465	3728	11896	11068	9771	39725	22310	14143	30344	20014	24042	0	15226	12518	1932	2853	0	19824	10399	18739	0	19009	2843	0	14542	3419	Phytochemical	0.2	1.2	0.1
6	C20 H24 O4 N2	357.18088	357.18143	-0.065865904	357.18085	14178	13725	12262	13036	1596	5622	6668	16816	2785	28425	15081	8283	2408	3055	8579	19113	14151	3010	6909	28058	28426	14275	9855	20814	9899	24869	8680	16664	12043	14803	11417	14356	12587	14283	26132	17018	14666	10006	15766	18605	14934	6742	0	0	0	14776	16819	0	17612	15752	14043	11783	4642	0	3537	1909	3388	14612	0	4365	15440	10214	1814	2414	2298	3435	7419	20450	13904	25688	29026	14079	12437	12782	11707	12838	0	7712	10647	15979	7732	4076	3847	17024	1488	2448	9497	7987	6867	23940	16046	7004	26951	13533	30394	0	12882	13795	2394	1979	1843	15632	8307	12948	0	12959	2415	0	10312	2934	Phytochemical	0.2	1.2	0.1
16	C20 H24 O4 N2	357.18088	357.1814	0.1487834	357.18094	30684	43206	37353	33297	17304	17826	21795	39289	17985	48354	56556	27455	11157	19287	18750	56898	42291	11061	24648	86592	70689	61791	22953	59853	31582	108501	41604	65790	33639	33753	34224	51159	48456	45375	61950	37536	49899	18282	56594	81189	118005	29283	0	0	0	45303	79257	0	45888	41895	59610	47859	21297	0	9189	28358	11520	62781	16833	46113	55800	37905	9831	11249	11094	11622	16605	60966	84537	98943	134055	52026	34020	21984	50262	40617	0	28254	30261	90108	29706	31656	27249	74856	6354	10701	49194	24633	29151	191865	86154	41493	96552	62163	85863	0	45087	35943	6829	7047	11352	60051	22722	48120	31947	67056	6051	0	50322	8907	Phytochemical	0.2	1.2	0.1
8	C20 H24 O4 N2	357.18088	357.1814	-0.04012214	357.18088	12710	15487	10820	15934	6542	6327	9001	13778	2466	27497	18670	9385	3696	5288	9188	19971	15262	3450	8887	29779	39914	13600	9388	24839	12666	27181	11587	20993	12868	14589	16964	18765	16822	13658	26976	15469	17609	10241	18434	26719	18385	8342	0	0	0	18783	18345	0	20715	15548	14628	12988	4725	0	4649	2695	4171	15725	0	4562	14696	13807	3039	2604	3403	4520	7026	23399	17247	37857	41365	20144	16345	13959	15436	14189	0	8324	12115	23387	10675	3267	2799	16112	1699	3656	9480	9903	8651	31592	22223	10195	27286	14257	33997	0	12905	14155	4134	1921	0	15837	8540	16056	0	17009	2702	0	10581	2095	Phytochemical	0.2	1.2	0.1
12	C20 H24 O4 N2	357.18088	357.1814	0.0456562	357.1809	11866	9939	12942	15842	5473	9397	10777	21369	2593	26528	21340	9170	2261	4125	11045	17154	17840	3938	8882	40784	38745	16422	13123	29869	14467	42412	12657	25308	19401	18602	19036	19742	19900	19555	26261	18436	19170	12415	19356	33655	18735	9807	0	0	0	20470	22725	0	19480	18999	19988	18998	6020	0	2963	1076	6875	20595	0	0	16952	13110	2567	3231	4436	3958	10575	31544	30895	48634	50973	19937	17290	15108	15544	18839	0	11466	13813	0	10274	5687	5346	21517	1978	2922	11686	10495	8378	28217	22478	6840	27339	15800	30429	0	12722	15463	4448	2365	2220	18623	9309	14022	0	25338	3582	0	13200	3190	Phytochemical	0.2	1.2	0.1
16	C18 H28 O7	357.19077	357.19122	-0.037509464	357.19077	64981	73604	71961	71743	50136	51030	110247	81260	47420	39860	26172	55380	60385	44098	74830	93724	87708	71600	73158	60851	39914	50053	61280	79651	66425	29484	91042	33259	109782	95874	81586	96634	117065	74199	47534	102175	101156	59943	88562	26557	23563	57855	4768	933	659	43103	33023	485	103888	81529	75342	74408	57288	976	80178	51702	38239	102878	44873	38798	87869	16528	65294	49017	40437	71868	67926	71717	11425	32281	22819	74933	83788	91927	84533	86941	408	59335	58955	37689	50751	36576	168622	98574	57666	49716	78234	53773	64444	66945	67901	79844	89035	28644	45451	1822	65196	79625	41518	58675	75707	101194	42118	65804	25071	70196	50389	565	62903	69893	Lipid	0.3888889	1.5555556	0.0
10	C18 H28 O7	357.19077	357.19125	-0.07686561	357.19077	11159	12320	12904	8946	4801	6870	14864	16377	7509	3224	2647	11181	5972	3675	11887	25559	16209	6447	9553	6637	0	11242	10943	19094	11981	0	15291	0	17052	20077	14090	15602	14427	11268	3498	23051	13345	9917	18627	0	3514	9086	0	0	0	9724	6360	0	15228	16259	12650	9376	6045	0	9989	7733	4319	19056	8795	6741	24521	1663	4948	4559	4034	5564	8844	22441	0	3350	0	10124	13031	19067	24039	14642	0	8023	15570	0	9533	7506	12773	4211	9200	7322	17604	5252	7127	19095	0	9107	20957	4144	5861	0	9337	13126	5751	9938	13131	17762	9310	12166	0	12716	8866	0	10881	9869	Lipid	0.3888889	1.5555556	0.0
18	C18 H28 O7	357.19077	357.1912	0.006899543	357.1908	104333	103859	92996	96165	77223	87732	158836	114661	71670	69084	49902	67698	125347	69503	106970	125381	87252	129090	155338	80665	75522	79136	81181	106654	92085	35556	115717	60841	144861	130005	124313	152060	169609	142949	80096	144673	172889	82829	79288	46044	26427	81872	5802	679	837	63504	32063	729	152172	100600	94254	105371	90527	1285	149303	83217	62672	130016	88565	41516	130755	31147	116064	89959	70077	113631	113092	88787	16623	41580	20441	109232	108826	135231	119307	129593	674	77690	83747	51552	65782	39226	184318	95754	79702	73480	81086	74424	104508	56769	116973	125377	121412	38732	52846	1934	107961	106724	68585	86069	98069	180503	74387	119073	42548	94202	64603	558	74548	107154	Lipid	0.3888889	1.5555556	0.0
24	C18 H28 O7	357.19077	357.19122	0.14810431	357.19083	10321	12911	11619	13220	11478	11519	14128	12945	11951	7031	3616	7302	20735	6826	11488	9952	6225	20842	23874	10898	4994	4940	8038	6321	8809	2934	13175	8087	18237	16123	12386	16322	16341	14708	10573	17016	21372	8476	5644	6093	2217	6963	1960	0	0	9244	2761	0	22994	8492	11876	7366	9395	0	22197	9916	5544	9800	11785	3591	9275	4322	16900	14224	6395	19019	10518	4343	2088	6176	3009	14401	16751	13790	8987	12446	0	9157	7706	4556	5414	2593	14322	9024	9718	5219	7818	5080	14282	4886	33165	21808	12612	5210	6485	0	12813	11318	6781	10523	12344	14340	6505	10143	13663	8707	13057	0	6187	18756	Lipid	0.3888889	1.5555556	0.0
6	C17 H28 O6 N2	357.20203	357.20258	-0.05654639	357.202	17302	14860	14005	15862	8855	8713	9380	20425	9075	9706	2549	7840	14224	6633	17173	22494	8729	16672	25390	12477	9220	18693	12499	21570	23581	1134	8913	0	22304	13712	19716	21024	28467	15836	14896	14957	25141	10736	12330	8207	3100	10324	0	0	0	10733	3356	0	27190	12672	13977	15086	8893	0	15910	3212	4171	28944	5771	2692	24991	3785	11405	10002	4323	12721	10728	10958	0	5720	2678	16228	14866	16529	7424	9818	0	10347	9001	4471	8124	2878	5623	3235	7653	8185	14332	7779	13455	24656	38810	38400	35582	4131	7244	0	15940	12285	4255	5126	4964	23551	7811	17916	0	18877	7551	0	11308	14930	Lipid	0.3529412	1.6470588	0.11764706
8	C17 H28 O6 N2	357.20203	357.20255	-0.006911649	357.202	12478	14968	11846	11135	8363	6769	6976	12385	8727	6388	1643	5908	11988	3528	8445	16462	6224	10899	16377	8892	9686	17637	9835	14755	12658	877	8094	0	16151	9614	12954	17279	19838	12084	10837	12189	20409	8660	8270	4823	3302	9544	0	0	0	7806	3437	0	15944	9325	12356	11295	8602	0	9474	3000	3990	20657	4839	2588	14105	1920	9892	7955	1618	10646	11318	9196	0	4509	2241	13843	14284	9521	4864	11432	0	9967	10183	6473	4234	2982	4282	1575	3385	0	10495	9516	11220	23397	30753	35422	29998	4052	5433	0	13822	9891	5357	3771	3076	14653	6452	12864	0	14267	4703	0	10776	12354	Lipid	0.3529412	1.6470588	0.11764706
4	C17 H28 O6 N2	357.20203	357.20267	0.015251177	357.20203	13366	14082	12310	13089	7428	10196	8504	18551	9919	8082	1826	7550	11720	5148	17112	19330	6639	12655	16250	9863	7372	16461	13155	17592	17410	717	7966	0	19226	11260	17004	17015	26223	12869	13515	16134	26909	10336	12450	5147	4356	10133	0	0	0	8922	4073	0	17918	12205	12078	12943	9817	0	12300	3890	4325	24708	6684	1620	21710	3653	13209	8818	2387	9823	8735	10706	0	4793	2283	11233	11622	15314	6805	11693	0	13583	8706	4645	8196	2889	6957	2181	6685	6938	11552	6064	9637	13701	28740	24336	27540	3944	6241	0	10287	15813	5523	4362	6102	26795	10585	15912	3442	16699	6387	0	9285	11704	Lipid	0.3529412	1.6470588	0.11764706
12	C17 H28 O6 N2	357.20203	357.20248	-0.0164654	357.202	7662	6001	7051	4992	3452	4702	5024	5538	3608	2185	2786	3329	2930	0	6549	11305	7037	5198	7889	4140	2683	11661	8346	9122	7630	1032	4803	0	9809	3891	7465	7588	12686	9245	3998	7993	12245	4900	8141	2762	4237	5420	0	0	0	5674	0	0	9371	6411	7124	7185	3530	0	4170	1575	3285	16940	0	0	0	0	4437	2602	2646	5999	5035	5468	0	1631	0	7200	5862	5107	5300	8388	0	6093	4266	0	5407	2318	5838	1411	1710	2557	12272	4634	3181	17197	20709	19817	30291	0	3074	0	7767	9331	1319	1949	0	7101	4116	5726	0	10845	2892	0	6719	3472	Lipid	0.3529412	1.6470588	0.11764706
2	C17 H28 O6 N2	357.20203	357.20267	-0.07145778	357.202	9213	7595	7781	8117	4252	0	6753	10758	5550	3714	1545	5482	7451	3269	7436	9010	8502	8180	9467	6272	5797	11700	7681	10430	8860	532	3965	3029	9382	7600	9282	9514	13668	9091	7023	9938	11577	6928	11214	4239	3665	4362	0	0	0	5326	3491	0	11085	6910	7204	9182	5828	0	7807	3234	2280	14358	3707	2448	8807	2556	5335	6695	2622	5984	6084	14543	0	2743	2383	8964	9202	10129	3560	8795	0	7005	8613	0	4952	1772	3762	1976	3500	4436	8864	4775	5588	20300	17733	37342	20768	4390	4577	0	10445	7658	3004	2883	3525	10911	6623	7832	2547	10386	4094	0	6757	7718	Lipid	0.3529412	1.6470588	0.11764706
14	C17 H28 O6 N2	357.20203	357.20245	0.002710377	357.20203	4531	5161	9119	8054	2923	2904	4524	8923	1884	3010	2936	3061	2202	2718	6216	9530	6315	3484	6888	0	4504	9537	5056	8953	10857	0	4139	0	6823	4206	7989	0	12299	9575	3236	7396	8352	3968	8441	2204	0	4244	0	0	0	4038	5399	0	8614	3995	5839	5315	4585	0	3525	1230	2016	15125	0	0	0	1374	2112	4439	2562	3299	4866	10709	0	1662	0	6914	4911	5877	5130	4776	0	6007	3311	0	4076	3501	4781	2750	3006	3164	9381	5031	3814	16898	16897	17805	21869	3005	1778	0	5602	5730	2235	1013	1316	6559	4276	5156	0	10912	1781	0	9924	2755	Lipid	0.3529412	1.6470588	0.11764706
10	C17 H28 O6 N2	357.20203	357.20248	-0.013349206	357.202	8048	7639	7968	5753	7078	5402	6756	13377	5106	1977	0	5564	5754	3013	5027	12182	6499	6592	7182	4310	5037	10777	5342	10414	8832	0	4378	0	9613	8746	7677	9008	14871	9677	6346	7965	14890	6700	7103	3979	3149	3095	0	0	0	5945	3353	0	10067	6690	7383	6885	6496	0	7334	2281	1612	14909	2000	3099	9971	1224	3742	3629	1262	6957	5480	8646	0	3268	0	8320	6610	8044	7089	6567	0	6766	6341	0	4288	2433	6546	2037	5809	4549	10934	3353	5041	16640	14776	18822	24806	2330	4429	0	7519	6568	3553	2640	3510	8196	3309	8665	0	9793	7104	0	6775	5700	Lipid	0.3529412	1.6470588	0.11764706
16	C17 H28 O6 N2	357.20203	357.2025	0.15961306	357.20206	8654	7565	4887	6903	2341	2954	4204	5685	1330	5634	2701	3234	2532	1871	5245	9269	4433	2378	2990	0	2480	8933	2810	8130	9863	0	4343	4552	6465	6954	7849	8231	9307	7596	14757	7501	12636	4551	5189	1531	0	3459	0	0	0	2014	0	0	9541	4320	6324	5539	4702	0	0	1319	2222	11607	2815	2725	7523	2068	0	1704	1798	4738	5430	7286	0	0	0	4563	1932	5216	5597	4801	0	4007	2979	0	4366	0	2266	0	1734	3163	7167	2323	4788	0	116687	50877	0	3827	6975	0	8816	7288	0	1744	0	9293	3583	4191	0	12440	2882	0	4896	3438	Lipid	0.3529412	1.6470588	0.11764706
14	C22 H28 O4	357.20602	357.2065	-0.012110394	357.20602	22830	24479	28265	26676	10264	9479	34615	32036	16184	11382	17416	22488	8806	10782	19857	37251	51370	9686	21384	19366	18161	30474	25059	21405	22812	20817	35389	11571	22311	29490	21599	34768	22716	16062	18179	25550	22840	24627	54452	12593	29007	13712	0	902	589	14725	20605	1536	30991	26031	24811	19682	17598	604	19257	17779	21714	32689	13374	31125	31989	9201	15772	15674	14323	12679	9402	60853	15639	16944	31179	12710	14209	27063	39110	24687	581	21146	39778	18524	32691	15159	31246	11663	28128	18905	42903	13116	16603	71515	24379	26034	32336	11207	18996	1105	27665	28867	15401	33015	29695	21088	21713	24649	0	22981	18622	690	32383	7240	Phytochemical	0.18181819	1.2727273	0.0
18	C22 H28 O4	357.20602	357.20648	0.019327616	357.20605	208963	215809	172328	166576	168206	106926	185357	193748	122104	145365	165569	145628	134550	106981	150268	244052	337191	139771	217352	202210	211436	150276	155115	196570	145353	316474	200604	160046	184726	195055	148737	209571	201611	135825	168483	201975	179851	156465	376767	129791	200328	138114	5117	1313	1466	101585	145932	2177	200216	172208	187604	194691	144029	1664	146569	162706	134529	236819	109277	198507	193464	94293	139099	124506	103717	142392	137121	379281	254918	264372	394375	106699	120578	170389	292171	199546	983	110956	251119	154784	193604	112339	155960	121546	212614	154833	258613	122435	145200	370314	203023	183434	230468	131457	172109	2602	192734	177701	134542	221698	246345	238300	131438	172684	75342	161003	148459	1303	194916	135370	Phytochemical	0.18181819	1.2727273	0.0
12	C22 H28 O4	357.20602	357.20654	0.028914737	357.20605	10294	10647	9080	13943	1491	2701	10398	9720	3998	3021	7044	4684	1661	2798	3477	12752	15731	1732	5288	3354	1904	7394	8627	10437	5723	3517	14844	0	7108	13627	7043	7106	6264	5781	2706	8288	6757	8662	14256	3660	6588	5327	1194	784	1013	5114	7233	1267	8209	6562	9815	9131	2889	502	6421	6298	4095	11792	0	7872	0	1731	3240	2509	4170	2433	3814	11610	0	3178	4911	3924	4354	12164	15250	11608	555	5627	9278	0	8006	4858	10713	2243	8778	4484	9464	3544	2984	20394	7470	10331	11726	5716	6224	1355	9019	7955	4008	8175	9880	12131	6139	11071	0	4249	4670	782	8621	2142	Phytochemical	0.18181819	1.2727273	0.0
16	C22 H28 O4	357.20602	357.20648	-0.008667709	357.20602	70896	88454	71064	74858	51082	32487	76129	66412	61483	53333	52266	59248	39048	37100	65021	97853	152675	43682	64880	62477	59746	56799	57111	65981	58305	83203	81387	41915	62385	77077	62623	67588	68590	42882	56517	80538	65179	52600	147261	41844	71248	45517	2504	891	1019	37507	56579	1559	70822	70292	71657	67968	44612	1034	53952	67651	49208	91714	45022	81802	73037	26935	51868	41768	35569	41391	55799	139253	69533	78154	116816	44093	51614	80487	118467	75450	831	46152	103908	56105	77817	44927	69923	48291	83190	60766	118730	36918	49303	183733	65486	72375	66855	50044	47627	1633	70334	69778	54003	87235	101535	86658	50125	66005	30813	78591	69765	1188	83071	45326	Phytochemical	0.18181819	1.2727273	0.0
22	C19 H32 O4 S1	357.2094	357.21	0.6126678	357.20963	58150	59995	55395	49316	20365	10449	11024	16805	0	0	9855	8301	19589	8789	12180	15680	25858	23448	27719	25541	21178	14304	14533	14964	14728	11522	8780	14662	18862	16307	14144	15869	18400	17196	18536	20029	19090	9527	14110	14458	13812	16187	0	0	0	13764	0	0	20708	15462	109486	61255	14438	0	27563	16050	13048	21816	0	8500	21859	0	22589	18489	0	18837	26107	11898	11072	0	13717	14754	16874	17179	15521	15513	0	0	14746	30716	10238	0	10098	9632	0	11486	0	25844	15408	13532	2128022	2511167	18839	8511	14383	0	50768	73337	0	13456	17022	23371	7954	20886	7244	13785	12949	0	9113	19336	Organosulfur	0.21052632	1.6842105	0.0
8	C15 H32 O9	357.2119	357.21246	-0.11595584	357.21185	6215	6458	4889	8544	2113	0	0	0	1286	26050	62254	0	1938	2005	0	0	0	0	0	0	0	0	0	0	0	0	1229	0	0	0	0	0	0	0	5157	0	0	0	0	18085	6002	1364	2257	0	0	9602	19113	0	0	0	4770	5518	2731	0	1796	0	3128	0	106318	805	0	51360	3393	12486	2450	6043	2479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1043	0	0	0	0	0	14267	4600	0	6029	7342	0	0	0	0	0	9740	1154774	0	0	0	0	957	Lipid	0.6	2.1333334	0.0
0	C16 H28 O5 N4	357.21326	357.21384	-0.1534846	357.2132	3668	3943	2745	3792	1147	0	1875	3181	1167	0	1167	1833	0	0	1993	0	4221	2424	1924	0	0	2313	1779	0	2083	0	0	11059	5678	0	2191	2434	5580	4572	945	3732	3928	2105	6100	0	0	1455	0	0	0	0	0	0	4713	1646	2994	2800	1337	0	2560	496	0	6490	454	559	1498	0	0	2003	1160	2030	0	6411	0	0	0	2297	3173	2229	0	2967	0	1674	2469	158101	2025	0	0	0	865	0	3145	1734	2493	5195	41053	14385	7167	10332	0	0	2083	2953	0	0	1154	2657	1941	0	0	4629	1254	0	2355	1608	Peptide	0.3125	1.75	0.25
2	C16 H28 O5 N4	357.21326	357.2139	-0.04133246	357.21323	13142	12249	11993	10707	3431	13674	2333	3629	1294	1286	8955	2558	3377	2034	2902	2671	3704	13843	2631	662	813	4280	2851	4321	2829	0	0	85469	4981	2844	3291	3279	7145	3188	1309	3146	4219	2416	5830	0	0	0	0	0	0	1151	931	0	3567	2470	13029	11729	2437	0	2879	0	1273	5504	482	0	2909	0	3428	1173	0	2992	2423	5272	0	278	0	2794	3676	2773	1217	2520	0	2639	2603	1001075	1967	0	589	515	1605	1338	6032	3554	2409	11045	425196	258843	7522	56432	919	0	10471	11666	3508	664	1566	3061	2884	1451	0	4097	786	0	3626	2994	Peptide	0.3125	1.75	0.25
4	C16 H28 O5 N4	357.21326	357.21387	0.012903604	357.21326	6083	6533	6257	5146	748	3350	1746	1775	545	0	3310	1137	661	0	2143	3135	1589	929	372	0	0	2061	1698	2924	2460	0	1915	26192	0	0	1377	1285	2478	1670	0	2268	1970	1632	4697	0	0	1050	0	0	0	0	0	0	1746	1568	4573	5359	773	0	960	238	473	3628	0	0	2464	0	779	303	0	1423	412	1375	0	0	0	1053	1659	632	1308	1319	0	1246	2158	340414	529	0	0	0	537	1208	1860	883	970	3505	386334	160661	4209	25278	2559	0	4943	5977	791	0	524	1933	1046	0	0	2192	462	0	1251	1105	Peptide	0.3125	1.75	0.25
8	C16 H28 O5 N4	357.21326	357.21365	-0.10594428	357.2132	0	0	0	0	0	2034	0	2868	0	0	0	955	0	0	2195	2140	0	949	0	0	0	1413	0	992	1526	0	0	5835	1012	0	934	2275	1438	0	0	1013	1113	1548	902	0	0	1274	0	0	0	0	0	0	1587	2984	0	0	0	0	0	0	0	2437	0	0	0	0	0	0	0	0	0	0	0	0	0	1794	801	912	0	1265	0	1092	1732	18509	0	0	0	0	0	0	1178	0	621	2605	22983	9546	3137	0	0	0	0	0	0	0	0	1110	788	0	0	1239	0	0	1247	0	Peptide	0.3125	1.75	0.25
6	C16 H28 O5 N4	357.21326	357.2138	0.040206544	357.21326	4798	4244	3997	5716	516	3534	1650	2252	0	0	1808	1448	669	578	1777	3132	3575	0	889	0	759	1463	1103	3035	2102	0	1389	17659	3649	4842	3539	6527	5280	5816	0	3996	4412	1580	10360	0	0	828	0	0	0	1909	0	0	5241	2478	5039	3187	781	0	0	0	345	2930	0	0	3528	0	909	0	443	711	0	5567	0	0	0	2953	9525	6923	5249	4667	0	2328	1620	47017	1057	0	0	0	0	0	2188	852	1746	5656	108294	29812	5484	7240	1814	0	4576	3812	611	0	0	3641	975	0	0	2868	447	0	3090	0	Peptide	0.3125	1.75	0.25
14	C21 H28 O3 N2	357.21725	357.21786	0.076174945	357.2173	0	1575	1586	0	0	0	0	1940	0	3560	3735	0	0	0	1059	2318	0	0	0	1786	1858	0	0	0	1483	3504	0	0	2131	2481	1399	0	1775	2177	0	2909	1657	0	1628	2766	0	1050	0	0	0	0	0	0	4138	1044	0	0	0	0	0	0	0	1826	8296	0	0	1255	0	0	0	0	0	0	0	2232	1560	1661	2957	1476	2019	1759	0	1252	1435	0	0	0	0	2158	0	0	0	0	0	0	0	0	3459	0	0	0	0	0	0	0	0	2542	0	2713	23768	1668	0	0	0	0	Lipid	0.14285715	1.3333334	0.0952381
24	C19 H32 O6	357.22717	357.22757	0.02581419	357.22717	19640	17631	18966	19388	20856	17654	66293	19579	7858	7979	12713	6508	21796	29422	12157	17678	10854	19865	23041	6214	3963	5920	7924	13677	14734	3226	51063	61143	23910	19600	16035	25640	21140	22096	7468	26044	25679	11020	11092	6042	4182	14891	6410	0	0	5324	7722	0	26692	13658	17109	17893	18332	4428	15482	9307	13228	20657	17279	6693	23200	5968	22952	9138	25731	47833	41369	10949	0	3563	2009	12793	19956	22402	9335	21320	0	13131	10237	57627	3569	28225	42764	27192	10359	17649	13248	14873	21981	16900	69611	63523	22595	10664	10534	0	20946	26510	10620	6606	12944	27242	6984	14030	60271	16169	12440	0	11399	19668	Lipid	0.31578946	1.6842105	0.0
18	C19 H32 O6	357.22717	357.22748	0.01266696	357.22717	0	2987	4115	2538	2145	0	50556	2251	0	0	0	1259	0	8759	3124	2318	4811	1842	0	0	0	0	1902	2077	2055	14744	36736	3108	0	4098	2151	5165	3713	0	0	2539	2780	2310	6628	1309	0	1786	507	0	0	0	0	0	3796	3215	2114	3434	2235	396	0	1631	0	4539	0	0	3811	0	0	0	5979	4169	6583	8029	0	0	0	3326	2651	2735	3388	5796	0	1564	3872	10036	2912	2090	91124	81953	1734	3091	4209	2235	1949	5103	6578	3434	5100	1408	2065	0	3011	5111	1513	1891	4314	1691	1366	0	0	3176	1625	0	3624	0	Lipid	0.31578946	1.6842105	0.0
16	C19 H32 O6	357.22717	357.22748	-0.049454056	357.22714	0	0	0	0	0	0	12756	0	0	0	0	0	0	2498	0	2690	0	0	0	0	0	0	0	0	1342	3635	11256	0	0	1698	0	0	0	0	0	1639	0	1770	1912	0	0	1517	286	0	0	0	0	0	1740	1579	0	0	1688	0	0	0	0	0	0	0	0	0	0	0	1245	0	0	3684	0	0	0	0	2641	3245	2281	1323	0	1502	0	4033	1152	0	34491	33296	0	1187	2073	0	0	0	0	0	0	0	0	0	0	0	0	1419	1679	0	0	0	0	0	1134	0	0	0	Lipid	0.31578946	1.6842105	0.0
22	C19 H32 O6	357.22717	357.22757	-0.00683661	357.22717	17243	20662	19181	20627	9284	12447	111782	16322	5422	6481	6716	5881	11470	29652	17954	15949	11908	10335	13819	3101	2308	6124	5397	8873	21704	8146	91354	32644	25247	20687	17542	24729	28276	19476	7209	23741	18613	11861	9338	3065	3118	14546	2956	0	461	7278	3741	0	25311	16822	13175	12354	12998	4505	13216	8016	9989	16349	5547	5422	19333	2503	16170	8106	26494	30333	30349	10524	0	3249	0	18373	17321	22762	8558	24805	0	12360	5160	50595	5933	18043	96773	70159	7550	18564	10464	11365	20026	10010	72774	66665	17117	11315	6172	0	16470	15055	5476	8638	12238	22249	9788	9587	27403	12514	6797	0	11088	14609	Lipid	0.31578946	1.6842105	0.0
26	C19 H32 O6	357.22717	357.2275	0.1168555	357.2272	8172	7993	10991	7346	6604	8140	24468	0	6297	4102	10245	0	10927	11752	0	6965	0	10900	13649	0	0	3378	0	0	10839	0	18466	50354	10218	9512	7933	7381	12256	7668	5410	13346	12993	7583	4156	2568	0	0	0	0	0	0	0	0	10110	0	11697	7592	3376	0	9975	0	5464	8982	13691	0	7994	3969	7618	5653	8037	15459	15448	5475	0	2748	0	5954	8688	8885	0	8532	0	4368	2055	27224	0	12530	13773	7032	6814	11245	6656	4273	5442	4156	55010	54534	12933	7747	10224	0	7404	10855	4097	4225	8115	8554	3060	0	51137	6421	6768	0	4136	6899	Lipid	0.31578946	1.6842105	0.0
20	C18 H32 O5 N2	357.2384	357.2387	0.058687974	357.23843	3540	3220	4217	4133	10128	0	0	0	0	38536	0	0	7081	7578	0	5556	25535	0	0	0	0	0	0	0	0	0	0	0	0	10453	0	0	1445	2325	0	7699	0	0	1771	4418	0	1641	17944	0	0	0	6752	0	2620	5266	4611	3371	0	720	0	0	0	3765	0	11574	0	0	0	0	0	36676	0	149938	0	2683	0	10175	0	0	66298	3194	0	0	0	0	0	0	0	0	0	0	0	5099	0	42384	21134	6438	20167	0	6161	0	4325	3052	0	0	0	7684	0	0	0	1812	0	0	0	12072	Lipid	0.2777778	1.7777778	0.11111111
10	C18 H32 O5 N2	357.2384	357.23883	0.037738636	357.2384	3932	2521	4206	2822	921	24970	959	18767	0	1117	0	3452	0	11078	1845	16105	13328	2691	1212	0	1176	1803	3101	14004	3018	0	1544	0	39702	19307	10546	49123	19303	34298	0	44679	17636	2537	15230	0	0	9921	0	0	0	0	0	0	45133	12945	5308	2492	7725	0	0	0	0	28670	0	0	10548	0	0	0	0	0	10447	8524	0	1452	0	12378	82117	53411	3462	43254	0	5272	0	0	0	0	0	0	0	0	7340	6710	11908	8616	9966	0	7529	0	0	0	5936	6396	0	0	0	13295	1535	0	0	9738	0	0	2101	0	Lipid	0.2777778	1.7777778	0.11111111
24	C23 H32 O3	357.24243	357.24283	0.04353313	357.24243	181679	181080	173254	167756	174313	95913	183192	146804	145830	160897	207133	110760	137966	133652	219878	275034	285154	135304	252567	169371	177257	117936	124950	127016	190655	455758	190314	217532	165008	169548	127170	182322	184842	126252	173204	197393	175526	205588	311162	127053	191143	397788	3861	0	0	88568	143397	0	168358	141327	183688	175665	159715	0	165842	198503	164065	228176	96308	120683	194903	90489	124495	131185	118296	152457	163526	300419	259768	255391	374776	77840	113950	160997	208862	173088	0	119607	201169	167199	134336	104116	156046	141733	227249	204318	296028	137335	165908	329576	189390	161387	157700	135830	144512	0	159923	188974	155236	244291	278562	255111	125105	178127	94613	144280	203026	0	198114	114354	Lipid	0.13043478	1.3913044	0.0
18	C23 H32 O3	357.24243	357.24286	0.026848404	357.24243	4772	8426	7845	5996	3909	0	10386	3852	2345	0	2740	4423	2654	4295	3840	7209	21548	0	8109	0	0	2293	4343	3577	6614	3888	9808	3378	6638	5059	2344	5807	6204	0	0	5283	3708	6584	24799	1474	3182	3005	0	0	0	1909	1888	0	7485	3822	4703	5533	3439	0	4867	7047	6256	11049	1829	6353	3447	0	3291	2533	2750	2597	3336	18994	1729	0	2914	1486	1593	4963	16264	0	0	2651	10885	4621	7269	1928	5184	2114	9268	7016	11551	3208	3441	19768	0	5408	7791	2534	2674	0	3380	4038	4086	17765	15907	5877	4793	0	2039	4589	5559	0	12406	2359	Lipid	0.13043478	1.3913044	0.0
20	C23 H32 O3	357.24243	357.24283	0.012906151	357.24243	27881	31417	19470	28076	17614	11530	37865	21951	25161	8500	12807	20690	16208	27023	26398	32318	78343	14986	27606	7093	11689	16092	14364	19206	20282	22661	35092	16040	23589	27591	15949	28512	21421	15715	9594	27284	24959	25033	69106	10648	16220	18788	801	0	0	6259	21518	0	20745	21038	26760	27576	22421	0	18918	32496	26029	28914	13195	24686	21020	6546	16766	18075	20497	17506	19995	70667	15615	14890	26971	9386	15634	27225	58085	32906	0	16210	41324	21571	26152	8948	24672	14961	38250	30648	55959	18405	26630	79124	27584	23613	33593	14026	11925	0	22846	25664	24684	55532	61309	34402	18792	21241	9679	21649	34247	0	34389	15327	Lipid	0.13043478	1.3913044	0.0
26	C24 H36 S1	357.26105	357.2615	0.4318224	357.2612	6431	4980	5160	4516	13212	83369	0	0	0	0	0	0	14640	355256	0	0	0	0	30191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	54925	0	0	0	0	0	0	0	0	6453	5023	5971	0	0	0	0	0	0	0	0	0	0	0	0	4830	555054	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23383	72420	0	0	0	0	0	0	0	5579	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.5	0.0
28	C20 H36 O5	357.26355	357.26398	0.14586596	357.2636	2055	1595	1842	2196	0	1865	8321	0	1883	5265	9618	1010	2103	1208	1935	2659	0	0	0	2518	0	0	0	2316	3910	0	5759	49495	0	0	0	1207	907	1663	4180	2286	0	2149	0	969	1066	2231	1607	0	0	2876	0	0	1612	0	1874	1590	1393	4428	3131	2254	1016	1191	2676	1356	1876	1716	1260	1050	2389	1173	2504	2061	0	0	0	0	1624	0	0	0	0	1381	1219	16336	1875	39984	0	1345	2009	2323	2699	0	1556	0	18727	11466	0	3761	2294	1458	1974	2439	1728	869	2213	0	1080	2887	42524	0	1870	1373	1588	1657	Lipid	0.25	1.8	0.0
26	C20 H36 O5	357.26355	357.26382	0.13922568	357.2636	8596	9390	8967	8176	3112	0	154524	0	0	8209	29646	0	0	111300	0	0	0	0	0	0	0	2939	0	5445	0	5866	118322	133688	0	0	0	0	3327	2268	8752	0	1516	4023	0	0	0	0	0	0	0	0	0	0	2263	0	8733	6493	0	0	0	0	3307	4230	5928	0	6430	3486	36837	3709	45830	7710	11271	4149	0	2830	0	0	0	0	0	0	0	0	2819	74909	0	87773	30213	24632	0	0	7140	0	0	2287	41804	37477	0	12935	0	0	8543	11682	4226	3061	0	0	0	6453	65045	2259	0	0	2629	9751	Lipid	0.25	1.8	0.0
22	C20 H36 O5	357.26355	357.26385	0.001878209	357.26355	0	0	0	0	0	0	25274	0	0	0	0	0	0	0	0	0	2261	0	0	0	0	0	0	0	0	2462	20229	3162	0	1610	0	0	0	0	0	0	0	0	1306	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1432	0	1476	0	0	0	0	0	0	0	0	0	0	1373	0	1182	0	0	0	33839	0	0	13138	14466	0	0	0	0	0	2299	19897	7595	0	0	0	0	0	0	0	0	0	0	0	0	0	2566	1380	0	0	0	Lipid	0.25	1.8	0.0
24	C19 H36 O4 N2	357.27478	357.2748	-0.001614672	357.27478	0	0	946	0	0	0	0	2275	0	0	1617	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	155952	0	0	0	2861	0	2239	0	3261	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1166	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8840	0	0	0	0	0	0	0	0	7124	0	0	0	4847	0	0	0	0	0	1162	0	0	0	0	0	3176	0	0	0	0	0	0	0	Lipid	0.21052632	1.8947369	0.10526316
22	C24 H36 O2	357.2788	357.27902	-0.06800861	357.27878	0	1375	0	1306	0	0	7298	0	0	0	0	0	0	0	1725	1552	12045	0	0	0	0	0	0	0	2316	0	7952	0	2353	2480	0	0	0	0	0	1750	0	2216	12539	0	0	0	0	0	0	0	0	0	1505	1703	0	1316	0	0	0	0	1884	2109	0	0	0	0	0	0	1369	0	1835	11927	0	0	0	0	0	0	6271	2155	0	0	3104	0	0	0	1795	1188	1378	1741	11742	963	0	20902	0	0	0	0	0	0	0	0	0	0	0	3030	1724	0	0	0	1044	0	3380	0	Lipid	0.083333336	1.5	0.0
28	C24 H36 O2	357.2788	357.27927	0.10189515	357.27884	10108	9823	8984	9041	7432	4823	23443	14903	9761	1940	26010	7413	4198	14007	9852	9474	22298	3656	11485	4333	2027	3997	8791	5638	19589	14956	29715	41234	19698	17121	8197	17153	9047	9070	3010	21723	6223	13062	25159	2703	3883	8333	0	1201	0	4570	2624	0	14685	11789	11115	10778	10257	0	7359	8499	7774	15739	6931	4165	10467	2721	3614	5716	10592	8661	16853	25985	10848	2923	3320	2983	5965	70614	14767	12525	0	10989	27367	20226	9951	8643	9089	7991	15780	14667	66956	11964	12354	65075	14070	12057	7529	7820	2995	0	10408	10410	9510	16831	22582	13666	9611	15640	9180	6619	15911	0	15376	2250	Lipid	0.083333336	1.5	0.0
24	C24 H36 O2	357.2788	357.2792	0.061149694	357.27884	8884	10020	8961	8049	5483	2173	32015	6306	6338	0	4724	6018	1554	5781	6951	10877	38801	3361	12186	2733	1526	1481	4787	2450	14843	2552	37271	9039	11720	12960	6476	13987	7607	5454	2371	13443	6132	9834	44678	1483	4296	6817	0	0	0	994	2379	0	8219	8655	9511	9265	7584	0	4354	5500	9329	9876	3862	7338	6061	0	2845	1959	15256	7019	15194	41210	1890	2239	3177	1347	3973	11090	21911	10511	0	3714	20801	11224	8664	5316	9461	8057	10677	15092	61780	4991	11844	72497	8466	4045	8567	1810	3148	0	7549	9804	5886	6628	9772	13615	6513	6034	2386	4719	8539	0	16887	2694	Lipid	0.083333336	1.5	0.0
26	C24 H36 O2	357.2788	357.27927	0.09931036	357.27884	21926	24358	19053	18862	10561	5604	67071	20295	13513	3319	20237	14655	4317	17944	22537	25570	53429	5648	17428	8081	0	10210	14773	9170	38452	27244	75909	26216	21015	27419	16912	25194	18491	14339	7560	31947	13284	24624	60189	7495	13992	22410	0	0	0	6633	9522	0	20646	28693	21148	20252	19297	0	16820	12276	17837	24663	9393	15352	25173	7033	11812	11025	29649	16750	40193	63597	18775	9720	15563	6058	9285	28869	35878	21768	0	13078	50221	25561	18919	22063	24477	18675	23497	38156	140200	14341	21154	126869	29098	18486	15426	16049	12388	0	24969	20717	18050	20832	24895	31317	12359	27590	14432	16141	19632	0	40935	5278	Lipid	0.083333336	1.5	0.0
26	C21 H40 O4	357.29993	357.30014	0.14640284	357.3	0	0	0	0	0	0	100548	0	0	0	5672	0	0	29586	0	0	0	0	0	0	0	0	0	0	0	0	82960	7218	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2197	0	0	0	0	0	3994	0	0	0	0	0	2287	0	33959	0	2383	0	0	0	1832	0	0	0	0	0	0	0	0	11472	0	0	4955	9592	0	0	0	0	0	0	3103	0	0	3620	0	0	0	0	2820	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1904762	1.9047619	0.0
26	C25 H40 O1	357.3152	357.3155	0.12844047	357.31525	0	0	0	2153	0	0	4793	0	0	0	0	0	0	0	0	0	10798	0	0	0	0	0	0	0	0	0	3774	0	7808	24123	4843	5070	1938	0	0	7221	0	3884	9231	0	0	0	0	0	0	0	0	0	9351	8157	0	0	0	0	0	0	0	2907	0	0	0	0	0	0	0	0	0	14661	0	0	0	0	0	0	7130	4693	0	0	6465	0	0	0	0	0	0	0	30565	0	0	25239	0	0	0	0	0	0	2178	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.04	1.6	0.0
20	C17 H11 O8 N1	358.05576	358.05615	0.0343414	358.05576	5748	6729	2574	6161	4784	5265	4853	3428	11042	4040	1913	2169	13020	3862	4016	5807	5434	11426	6091	2328	2042	13948	4013	4706	2421	0	5398	0	1560	1393	1649	1603	5909	2660	3397	2114	8097	3475	4889	4458	11195	6851	609	0	0	2314	4218	727	2681	2145	5991	4137	6133	295	8516	6320	5024	4943	3467	6232	4252	4998	14957	9555	4196	12182	5661	4566	2416	0	0	3386	0	0	2136	2223	263	2800	9315	15286	5277	4171	3391	0	8883	2894	13604	9382	7111	15227	2961	5503	11483	21118	8894	559	5006	6413	6475	7918	6356	7918	2495	2632	2689	8106	7018	0	4725	19085	Phytochemical	0.47058824	0.64705884	0.05882353
16	C17 H11 O8 N1	358.05576	358.05624	0.17929345	358.05582	6943	7076	3127	6145	11721	5684	2213	0	12630	5823	4247	1851	13241	4907	1602	3351	2214	10763	8964	0	3324	12233	5064	5322	1862	0	2385	0	0	0	1230	0	3829	1719	10915	0	3909	3834	4188	4374	8821	3751	0	0	0	3567	4992	611	1767	0	5834	5575	8976	257	12983	6144	5142	4022	1329	3386	0	2819	17855	12540	3584	13919	3058	5364	0	0	3363	2000	0	0	2089	0	349	1832	9506	8685	3628	2100	1532	0	9701	2362	8689	6037	5136	0	0	4304	0	20775	16536	0	3217	4269	3438	14064	8624	0	2443	2686	0	0	6694	0	1975	16903	Phytochemical	0.47058824	0.64705884	0.05882353
28	C17 H11 O8 N1	358.05576	358.05618	0.17013054	358.05582	6040	7522	6123	6954	8676	5495	3803	2225	7249	7356	4350	2770	8358	4819	2850	6093	5326	19503	13784	0	5648	11824	4003	4020	4060	0	2441	1462	2137	0	3462	1731	5416	1909	6033	2118	6921	3953	7507	3891	13174	4755	0	0	0	3087	5339	0	4071	0	9247	6783	7128	0	12652	5091	2549	3639	3925	7315	6321	3418	17489	11327	3747	9053	5124	6003	0	0	0	1937	2063	0	2632	3496	0	2847	7881	9410	7358	1610	4432	2071	9040	3374	6799	6306	6724	12527	6017	7841	9626	10133	12597	0	7502	5089	3311	3801	3218	7381	1877	5174	0	6016	4170	0	5572	20507	Phytochemical	0.47058824	0.64705884	0.05882353
12	C14 H15 O8 N1 S1	358.0591	358.0597	0.20703213	358.05917	3335	3101	2873	2887	5527	3660	0	1388	3620	8094	5125	1107	8022	1713	1549	2234	2798	5808	5619	3048	10364	20608	4418	0	0	1139	0	0	0	957	1256	0	1675	1638	6495	1078	1439	0	0	6109	13676	2693	0	0	0	1740	3493	0	1258	0	2400	2963	4969	0	6045	6118	1868	1655	0	7269	0	8901	5786	5769	1401	5571	3589	0	0	2242	7026	0	0	0	1160	977	0	0	3306	0	2053	2130	1647	2331	3487	1814	2233	3844	3253	0	4536	8091	3921	13610	9932	0	7067	5576	3045	3915	2518	0	1077	0	0	1756	3402	0	1017	11250	Organosulfur	0.5714286	1.0714285	0.071428575
14	C14 H15 O10 N1	358.07687	358.07742	0.059987195	358.0769	3769	3806	4015	3323	15492	7460	0	1382	16625	0	3334	4007	27343	7662	2239	0	4510	17651	14735	0	5078	0	6309	0	0	0	0	0	2515	0	1744	0	4876	1209	0	0	2937	1925	1659	0	0	12607	0	0	0	0	0	0	0	0	7019	4364	8232	0	17923	21434	7271	0	0	0	0	2318	30185	25766	6327	15597	9506	2980	0	0	0	1232	0	0	1682	1348	0	1544	2850	0	2702	0	0	0	18844	7364	2472	6305	8941	0	0	2641	0	4208	2340	0	5181	6708	12084	15328	17477	5586	2701	1826	0	3550	10190	0	1138	36296	Phytochemical	0.71428573	1.0714285	0.071428575
6	C14 H15 O10 N1	358.07687	358.07758	0.19704069	358.07693	8564	6968	4874	5084	11002	4322	0	1446	17928	4776	7138	3324	31034	2462	2070	2888	3334	16878	15700	4462	10876	6860	4392	2000	0	0	0	0	1534	1434	0	1494	5025	2828	6488	0	2430	1344	2854	0	5682	8426	0	0	0	0	0	0	0	1964	5362	3062	8036	0	23068	22814	7972	2274	0	2708	0	2722	41194	25682	5282	17694	9270	3922	0	0	0	2302	1670	1538	1758	0	0	2340	2472	0	1620	0	656	0	17084	3904	2592	12898	7130	5958	0	0	3316	7526	4936	0	5602	5958	13104	23472	19418	3810	2306	2904	0	3876	9312	0	1250	41458	Phytochemical	0.71428573	1.0714285	0.071428575
12	C14 H15 O10 N1	358.07687	358.07745	0.20640819	358.07693	5898	7222	8919	6419	24304	10296	0	1896	25619	3538	5202	4130	43874	7710	3778	3840	6678	31102	24054	1635	7218	5615	10608	3278	0	0	0	0	0	0	1759	2145	6326	2182	4444	0	5456	5465	2629	2321	9497	11752	460	0	0	2039	7627	0	1423	1892	4910	6436	15129	0	31926	29508	9673	2450	0	0	0	4305	44983	34736	9229	33332	10218	5858	0	0	0	1783	2747	2868	3517	2090	0	5536	2833	0	2870	1290	0	1035	24331	7307	4176	13360	10564	5014	0	2143	5215	8092	1966	0	4212	7405	20346	22698	26603	8028	6429	0	0	5446	17451	0	0	53136	Phytochemical	0.71428573	1.0714285	0.071428575
10	C14 H15 O10 N1	358.07687	358.07748	0.17410104	358.07693	11891	6474	6892	6036	21436	11387	1975	3902	27837	4435	8839	7681	41849	5276	4114	3646	7812	28508	25070	4128	14261	9343	7189	4094	1129	0	1477	0	2468	2959	1281	2612	6099	2544	4474	3272	5233	3113	6108	0	10661	13146	0	0	0	0	5198	0	2278	4299	8362	7251	14770	0	36783	31200	8760	0	0	5380	0	5567	49272	41206	9152	27455	10425	4846	0	0	1702	4778	1885	2236	4104	3414	0	3942	4401	0	3423	0	0	0	27455	5710	4162	17379	11744	4843	0	4003	5509	13640	4429	0	9057	8749	16621	24448	29636	6005	4715	2755	0	6906	15330	0	1004	59623	Phytochemical	0.71428573	1.0714285	0.071428575
28	C18 H15 O7 N1	358.09213	358.0925	0.109390244	358.09216	5508	4199	4847	3153	2709	2490	1476	0	1994	14656	9074	1221	2411	1575	3103	2819	2778	3717	3502	2498	9488	12482	2799	2220	2827	0	1741	5213	0	0	1243	1231	2569	945	9913	0	3001	1801	3322	5734	15646	0	0	0	0	5025	11938	0	1814	0	3815	3529	4437	0	2434	0	2447	1812	2092	3207	2447	6234	4066	3818	2123	3852	2221	3013	6028	5811	9801	0	0	0	0	1249	0	1894	4013	20545	3840	4926	2323	2782	2114	0	4037	3754	2129	3657	5581	7940	4463	17428	17244	0	3376	4705	1711	2758	0	3993	1100	2150	2931	2464	1442	0	2473	3530	Phytochemical	0.3888889	0.8333333	0.055555556
8	C18 H15 O7 N1	358.09213	358.09274	0.143833	358.0922	12214	14238	6210	13592	13027	6311	3121	2560	16911	33475	22941	3733	25738	4725	3204	6478	5610	13135	17091	17822	28067	22676	6856	6457	2022	13257	1982	10995	2439	2345	2490	2753	5821	2116	40681	1621	6162	3374	8112	16907	33265	6271	0	0	0	8813	21800	0	2813	1908	8681	12328	9440	0	15746	13164	5381	4186	2783	6091	4985	12092	23923	15614	4185	17270	7142	6040	44797	31311	64474	2072	1600	1242	2432	2755	0	3816	8111	11042	4529	8757	2517	6811	15865	5455	9594	7244	6861	13384	0	0	10267	23632	24775	0	12876	11460	13242	18971	16861	4418	1913	4493	7391	7649	9392	0	4089	22057	Phytochemical	0.3888889	0.8333333	0.055555556
22	C18 H15 O7 N1	358.09213	358.0926	0.073163345	358.09216	13327	9446	9957	9223	8295	5715	2537	3695	10967	37576	21166	0	15822	5071	4858	5421	3894	14438	10105	16789	32357	44269	7746	5305	5303	12920	3585	12049	3103	2259	4115	0	2522	0	47776	0	4658	3954	6551	33120	37970	7675	0	0	656	19563	41965	0	1881	2482	13779	11541	8444	723	11589	5992	7187	3654	3928	7286	3431	30565	21049	11244	6074	15360	8845	6057	23816	27125	43426	0	2169	1408	1042	2931	519	2826	8908	43638	5746	17218	4420	14869	11654	8156	9805	6310	6058	9208	5880	9835	14247	58174	65394	0	12061	10532	7906	7809	10516	6063	2583	5858	20919	5994	6176	0	4975	20016	Phytochemical	0.3888889	0.8333333	0.055555556
6	C18 H15 O7 N1	358.09213	358.09277	0.16694313	358.0922	3611	4518	4556	3119	6198	3037	0	715	7279	11907	7577	1061	11291	2152	1857	1870	1366	6768	4747	6035	14566	8523	2729	1917	545	4146	649	3311	1365	0	1210	677	1344	727	16126	0	2845	1258	2331	5645	9023	2219	0	0	0	3926	7441	0	1869	1209	3858	2912	3703	0	8526	8327	2447	3242	0	2083	2628	3830	13162	8781	2267	7859	2663	3481	10914	8915	20143	694	697	639	0	746	0	1346	3204	2919	1795	2686	839	2224	9441	2920	3223	3323	2438	2907	0	2256	5165	9094	7086	0	3613	4027	6036	12053	10178	3266	1495	2134	0	2725	6574	0	1507	9451	Phytochemical	0.3888889	0.8333333	0.055555556
26	C18 H15 O7 N1	358.09213	358.0925	0.1281836	358.09216	4537	2700	5011	3718	3325	0	0	0	3213	16274	6620	0	3874	0	0	0	0	0	4472	0	10990	15054	0	0	0	0	0	4782	0	0	0	0	1572	0	12756	0	2085	0	0	11261	18750	0	0	0	0	6319	12674	0	0	0	3128	4279	2685	0	0	0	0	1788	0	3827	0	4606	4533	5056	0	3407	0	2293	5992	6363	9389	0	0	0	0	0	0	0	2338	20488	3447	5224	0	4704	0	0	2648	0	0	1906	4106	5881	0	19717	27707	0	3343	0	0	2458	0	0	0	0	0	2259	0	0	0	4744	Phytochemical	0.3888889	0.8333333	0.055555556
20	C18 H15 O7 N1	358.09213	358.0926	0.10280351	358.09216	27806	23490	25019	27472	20333	16880	7969	5297	24137	87723	54365	6540	25676	14345	7592	10496	9308	25967	24752	38670	76023	83538	12303	15458	7862	39902	5492	31812	2629	3544	4834	4964	12416	4109	105800	2011	15226	5057	10271	74613	79298	12223	1474	0	322	42878	66529	689	9289	7267	30739	20318	22054	716	25213	15319	10210	10959	8223	13108	11533	42827	32578	23558	10498	25849	15900	10559	47978	59046	89356	5479	3561	2334	2675	4345	426	4855	16653	87064	11835	29081	12223	41864	23852	11121	18816	15333	13102	21593	25670	23171	15750	102218	94840	973	29944	24141	14507	24628	22346	10599	5804	11091	35958	12476	16052	0	11372	39391	Phytochemical	0.3888889	0.8333333	0.055555556
24	C18 H15 O7 N1	358.09213	358.0925	0.07516877	358.09216	5318	4245	6459	6439	5364	3401	0	0	5042	26312	11220	2202	7909	1490	1803	1842	1796	5602	4816	8036	13337	23659	3366	3055	2006	4015	0	5131	2137	0	1306	0	3596	1084	18713	0	1843	1484	3396	10549	22792	1597	0	0	0	12080	20163	0	2333	1914	4836	3786	3279	0	8023	3229	2479	1108	2276	2935	0	11006	6278	6156	2717	7565	4761	2099	7727	10287	16086	1828	0	0	0	1654	0	1954	2861	24223	4139	9254	2254	7148	5252	0	3545	2925	2683	3507	2558	2319	4727	29464	34413	0	4277	5244	3313	3968	5917	1557	1486	3176	8919	3211	2326	0	1887	9002	Phytochemical	0.3888889	0.8333333	0.055555556
16	C15 H19 O7 N1 S1	358.0955	358.096	0.11194461	358.09555	17532	15132	15146	16162	13940	9535	5883	5203	8594	45500	17045	4658	27008	4096	7545	13208	7485	24797	14237	28113	24999	45396	6885	10976	9734	16305	3914	25454	6237	5468	6147	5935	11492	6342	42469	10325	14760	2882	5414	51073	31295	6007	0	0	0	21531	16465	0	8888	7049	14089	17273	13686	0	9739	7910	6301	12629	29081	11248	14242	33140	10024	12727	4426	8656	10858	9085	19141	28028	18861	7379	4609	2946	6126	7345	0	3214	5444	24259	4070	14789	14873	22182	9200	7204	7775	6077	8647	0	47033	58499	0	30496	54966	0	11035	14711	7181	6771	7809	7971	2979	23922	12216	0	4799	0	8167	18982	Organosulfur	0.46666667	1.2666667	0.06666667
4	C15 H19 O9 N1	358.11325	358.11395	0.03118473	358.11328	10356	12299	9866	11502	12497	8135	5027	10049	17108	10518	11188	8531	23868	5428	6920	9585	12615	21981	21571	10871	17038	15411	9033	13612	3343	3074	4088	0	7301	9432	8999	6963	10768	6608	13884	8262	10770	5404	13775	8625	14646	10386	0	0	337	10628	10918	0	8786	8626	9474	11354	11381	473	21411	18880	9257	8027	7644	11702	10664	6773	27565	19411	11555	18628	10329	13253	7029	4222	6774	7496	5694	7066	4745	6937	282	6383	7370	0	4950	4836	4173	2014	20478	10783	5892	13100	12101	11655	3494	7636	15320	8494	8575	0	10333	13626	14870	20967	23635	11856	6526	13646	8216	9882	15293	0	4613	29113	Phytochemical	0.6	1.2666667	0.06666667
2	C15 H19 O9 N1	358.11325	358.11398	0.09203106	358.11328	4155	5103	3691	4069	6209	0	1316	2999	8031	4041	2637	3290	16031	3197	1593	837	2342	8445	10516	4600	9019	7090	4063	3313	606	652	0	1104	4905	2495	5100	4042	8945	4417	6345	3813	6013	1709	1347	6022	3707	5420	0	0	0	2518	2333	0	4337	2742	3978	5211	6503	0	11028	5981	2992	4320	2039	2099	1387	1933	17851	11428	4292	12486	6939	3274	1496	2271	2010	4395	3928	2432	0	2543	0	2439	2510	0	1801	0	1110	758	6293	2204	1898	7155	6125	4610	0	4106	6873	3121	0	0	4299	3106	3179	6902	6381	5045	2224	3068	1246	6587	4587	0	1555	20217	Phytochemical	0.6	1.2666667	0.06666667
8	C14 H19 O8 N3	358.12448	358.1251	0.08882881	358.1245	8027	8648	8217	7669	6918	3013	4154	10520	9975	3648	5424	6936	8238	2386	7471	10706	11235	11200	14388	6208	6826	13086	12363	10794	2924	0	4169	0	5696	5764	7465	7285	10671	6466	6867	8191	11050	9113	11687	2074	5184	7350	0	0	0	5862	6879	0	5826	8611	7003	8871	6548	0	11834	5407	6443	9233	7793	5232	11111	3931	11922	11523	7175	11255	6620	14163	0	1824	2857	6012	5781	4971	6776	6757	0	6131	7565	0	5032	3502	2853	1334	6535	5155	8105	9872	9003	15876	0	8534	22953	4152	2996	0	8911	7290	5148	4420	6815	9430	6790	6767	0	11741	6001	0	3225	15920	Peptide	0.5714286	1.3571428	0.21428572
6	C14 H19 O8 N3	358.12448	358.12512	0.124698065	358.12454	12475	10707	10681	9835	9033	6566	4140	12140	15276	5444	5443	10239	13128	2613	9665	11429	19235	15555	18762	5220	8457	13351	11135	13311	3169	0	4224	2910	9440	6996	11124	11152	15768	9173	8321	11018	16168	7491	24604	3854	12875	12261	0	0	0	6934	10492	0	9002	9776	14259	10625	8937	0	17335	7046	7886	10614	7361	11170	13865	4607	21157	14002	6134	14078	13024	21249	0	0	3103	9090	9927	8303	5937	6992	0	7231	5966	0	5468	3992	2718	0	11592	7123	8922	13864	12888	24516	6211	11428	21723	7230	3730	0	11957	11311	6021	8297	10114	16894	8487	8782	0	16735	7075	0	4910	25742	Peptide	0.5714286	1.3571428	0.21428572
2	C14 H19 O8 N3	358.12448	358.12518	0.065680884	358.1245	7066	6862	8137	7607	10026	0	3110	8073	11514	3107	4304	9032	19804	2697	5353	1342	7742	14440	14634	2963	7267	10758	7197	7138	1704	0	0	2393	6414	3200	7979	6825	13723	5688	7343	6436	9337	4229	9506	3071	5752	7857	0	0	0	2654	3410	0	7038	3822	7542	9927	10477	0	10831	6763	5259	9000	3273	4260	2096	1928	23322	15029	4509	17275	10645	10467	843	877	1281	4785	6680	3118	0	4925	0	3686	6381	0	3287	2962	1726	948	8324	4113	5585	12335	12127	19918	5051	8307	19891	4144	612	0	8679	6843	5797	8954	8426	8556	6088	3343	2631	14804	5056	0	3540	29437	Peptide	0.5714286	1.3571428	0.21428572
4	C19 H19 O6 N1	358.1285	358.12918	0.076023296	358.12854	6057	6379	4703	5494	6625	3594	1511	3307	6718	13122	9553	2683	7097	3617	3671	4090	2539	7207	6423	12249	17731	7652	4733	4372	2200	22299	2436	5384	2928	2062	2452	2799	3604	2052	15822	3592	2736	3064	6237	8417	13145	2979	0	0	0	7328	15765	0	2226	2617	5610	4312	3706	0	7784	5076	2210	3048	2216	3137	4925	7116	7089	4978	1904	6097	2601	3541	25636	19330	36882	2501	1390	2272	1777	2386	0	2347	4871	7345	4655	7761	3170	7019	5888	3115	4139	2108	3489	4247	4957	4755	6546	8654	12300	554	6627	5799	6901	6514	5677	4360	1964	3838	9798	2867	4496	0	2628	6315	Phytochemical	0.31578946	1.0	0.05263158
8	C19 H19 O6 N1	358.1285	358.1291	0.053712305	358.12854	40203	41186	32041	41672	28368	19581	11370	16129	29627	146359	79101	12597	34810	14858	12718	25290	17366	26683	43195	126300	150441	67497	18822	28495	10210	116327	9322	64863	16155	13887	12526	15134	18505	12964	162228	14185	18875	12361	19159	81725	100554	14653	0	0	0	56409	77042	0	20306	14983	37352	36204	18423	0	34020	24607	14486	14614	9664	19195	18209	51446	37667	25720	9519	30209	16036	22863	146166	190327	241894	16381	11468	10378	10615	14110	0	9751	19875	44873	16985	28224	12436	52660	23431	12592	22551	16894	16578	27121	25537	33792	32663	66269	102538	0	35387	37639	26293	22647	22017	22463	9612	32972	23932	16946	20564	0	12153	34248	Phytochemical	0.31578946	1.0	0.05263158
6	C19 H19 O6 N1	358.1285	358.12912	0.06770287	358.12854	19172	19301	15610	18278	12974	9883	5819	11087	16289	63189	37566	6055	21399	9843	8470	13786	10189	16651	22850	49562	70890	34393	9630	12832	6072	54919	5239	23411	7439	7021	8023	9475	11977	8392	71386	6060	13039	8084	10937	32460	49833	8792	0	0	0	27904	42750	0	9668	8026	19600	21161	12881	0	18423	11577	7910	11449	3271	10686	10074	26093	18658	12096	5353	17196	8189	12938	67833	89392	110326	8695	7844	6741	4645	8413	0	5768	11902	22491	9835	15290	7028	22653	14629	10325	13634	8586	8672	19425	9928	14692	18658	34074	50681	0	21257	16879	12871	18358	14496	14048	5548	12112	13623	13953	12682	0	7703	21843	Phytochemical	0.31578946	1.0	0.05263158
24	C19 H19 O6 N1	358.1285	358.12894	0.1443094	358.12857	9070	5676	7600	6589	4572	3012	0	1727	4910	19474	14406	970	6226	3746	2349	4014	2483	5093	6125	10854	15888	14710	3364	5314	2542	14014	1878	14448	2117	0	4087	2208	5074	2287	15741	2248	4018	3194	3191	15347	26758	2541	0	0	0	12328	20721	0	3222	1408	6777	7109	4745	0	4215	5006	1866	4527	3131	2845	3740	14396	5238	3642	2201	3686	3849	5215	19876	25577	29675	2521	2256	1561	1354	1549	0	2541	3557	16071	3780	9399	3043	9528	4934	0	3129	5180	2179	4542	5548	6564	11349	17640	22843	0	7910	5662	3872	4772	2982	4478	2688	3481	5389	5627	2678	0	2735	5736	Phytochemical	0.31578946	1.0	0.05263158
10	C19 H19 O6 N1	358.1285	358.12906	0.08097967	358.12854	49133	53170	51526	47573	30463	24548	16676	22727	38243	196377	96577	17119	45682	23382	18429	32001	24331	41639	50617	159062	194275	87283	25359	32228	20875	162555	19284	79186	19809	18618	20076	22912	29920	19583	207163	21251	30226	17028	31029	115166	127123	19271	838	0	0	61748	83694	0	25133	17261	53200	50851	26560	300	40853	26392	16424	35718	14065	28565	32489	64824	45128	31678	12530	38674	24387	28098	185780	234122	270696	20706	18087	13949	15782	16878	0	13899	34236	63893	20261	40085	21156	63397	31694	20272	35811	22903	25234	46909	41419	36656	47478	74582	113764	605	48618	52081	31055	31163	29799	31258	13320	30221	21047	27870	25086	0	22337	44443	Phytochemical	0.31578946	1.0	0.05263158
12	C19 H19 O6 N1	358.1285	358.12906	0.07144559	358.12854	61324	57357	59162	59333	39860	30430	30915	39047	47157	174442	109651	19099	43075	26146	25784	42078	37005	49393	66940	174754	213009	106158	35447	38265	24368	195680	19181	100557	24808	20405	26674	25909	44518	25734	226391	24019	33063	26981	41183	133558	152029	26509	1682	0	378	71321	112865	0	29485	25789	58016	53200	30189	0	48547	30792	19480	43034	19544	39280	41059	90437	58582	36442	14282	53994	33652	36070	234534	293455	352579	27358	25660	16107	18904	21054	0	21185	45598	70310	29360	54615	26852	80924	36271	22192	43330	26659	30203	66930	48939	51955	69199	98236	101964	465	59940	64993	41360	32178	35211	36269	20660	37110	39865	38210	34380	0	28301	58959	Phytochemical	0.31578946	1.0	0.05263158
22	C19 H19 O6 N1	358.1285	358.12897	0.11652125	358.12857	25958	18608	16653	25129	18100	13429	4974	8405	15949	61065	54129	7266	12892	11893	8804	11604	6035	17635	16840	32919	45352	48133	7944	14315	8038	56351	4761	38186	8482	5519	6745	5907	12716	7672	62196	8841	13203	7086	9709	48403	59849	11298	0	0	501	37580	41235	0	7743	7797	19425	23700	13318	525	15136	14004	6666	8020	7104	11765	9763	38296	17721	13388	7978	20439	12271	11418	60571	59605	91317	8582	6186	5094	4332	7666	486	5669	10955	41981	11770	26152	10684	31026	13331	9604	14919	15267	9120	15959	20337	18231	21489	52238	54296	0	20014	19158	12361	14373	11956	13362	6972	15529	25432	14159	11606	0	9552	19080	Phytochemical	0.31578946	1.0	0.05263158
18	C16 H23 O6 N1 S1	358.1319	358.13235	0.14200218	358.13193	10169	12687	8459	10446	10700	9051	4324	7931	5347	13689	8746	5303	8881	4423	4919	9592	13050	13191	12948	15611	15121	25661	4435	14924	5203	14390	3438	8132	0	6807	4005	7559	9079	6747	17560	5488	4974	6016	12646	15278	13100	7501	0	0	0	12245	6985	0	10935	6666	12775	11707	7057	0	10226	6263	3177	11878	12019	12275	7681	17633	4352	4473	5069	7872	6534	13920	12509	16433	16587	7549	2621	4242	11243	6027	0	3411	7269	15189	4159	8080	7482	9190	11448	7777	10314	6694	9100	10283	28101	33601	11754	13647	26623	0	6815	13257	5645	5227	3812	10794	7095	13711	6450	10485	5313	0	8227	7692	Organosulfur	0.375	1.4375	0.0625
2	C12 H23 O11 N1	358.1344	358.13507	-0.1523054	358.13434	1398	1822	4384	1806	7484	0	673	2908	3143	990	0	1798	5534	649	1288	410	2932	4593	4186	829	2006	4235	1770	4127	477	0	0	852	4659	2060	2263	2492	4570	15088	2791	3764	4127	1914	2988	2366	2195	0	0	0	0	1341	2009	0	4026	1162	1389	1876	3212	0	2615	1925	972	0	1302	1481	1009	841	5272	4017	0	5452	2603	4740	0	557	847	33424	7542	1673	335	1994	0	1628	2252	0	1164	0	884	461	2516	1196	1217	7620	3513	3300	0	2699	5860	1530	737	0	2743	0	1545	3910	1607	2877	1118	1448	1064	703	1530	0	1038	6349	A-Sugar	0.9166667	1.9166666	0.083333336
2	C16 H23 O8 N1	358.14966	358.15036	0.03458003	358.14966	14271	15073	16315	16084	33450	22510	6901	21132	17400	14242	11354	13754	63714	7519	10697	4534	20474	51710	45222	13968	52068	42622	25574	14289	4601	2507	0	6065	22032	9854	19782	18162	29056	17513	26823	14754	23565	8704	26780	16451	15198	13663	306	283	417	9946	19370	0	18837	10711	13860	18722	34494	475	44262	21996	6421	19841	22336	19404	5454	7227	62800	43832	5751	47738	33314	16121	5385	8474	8574	15862	18825	13297	1487	15525	0	10590	17844	5823	7139	6109	6345	3905	26156	13606	16096	24184	35990	13703	13132	17778	45078	10061	3800	471	14209	15885	10587	29504	27054	14520	9881	14075	5707	19604	20172	0	5856	82030	Lipid	0.5	1.4375	0.0625
6	C16 H23 O8 N1	358.14966	358.15024	0.04712486	358.14966	84016	163712	82766	159620	52619	48485	45815	200946	153340	112603	58428	55208	219966	23696	68637	106730	74737	204316	232394	124959	280756	242726	79727	110331	35892	40646	47411	39740	95385	88293	167696	87676	198960	76478	145620	95481	187544	119340	183454	80278	195542	64590	1437	397	750	94698	106570	326	93509	96042	161440	80895	55255	960	253104	77079	41286	182156	96817	174868	101605	60441	222984	87613	33132	74042	136208	89671	63735	61689	64217	167432	78104	93556	43853	67713	492	109186	54633	42157	50464	49982	112618	32337	77519	58100	51244	104816	61346	151084	62330	84891	233158	70065	99518	1042	86260	178494	47357	60747	75838	105782	114336	133969	70931	152928	60943	428	43217	132885	Lipid	0.5	1.4375	0.0625
8	C15 H23 O7 N3	358.1609	358.16144	0.010097445	358.1609	66160	65221	53426	65654	35734	33620	33326	56543	35359	124536	74812	33512	39696	20623	44636	65926	51218	40800	58825	148284	162049	87794	46811	72095	35731	159834	35353	82723	50475	41109	42952	56496	65886	49374	147109	47519	62417	35824	64595	102186	93719	29962	635	0	0	58989	67043	0	60463	50907	62505	67390	32437	239	50149	19572	18572	61274	19764	29549	61161	52805	38092	36382	18706	38387	34774	60913	128847	200297	244146	46803	43601	35573	41710	45672	0	31465	39926	52142	34520	21562	24067	61040	48114	22470	44055	39997	33435	89476	101666	98724	110942	51547	85925	0	66819	67313	26533	25913	22856	62153	31746	46326	11944	59094	24531	0	35843	43617	Peptide	0.46666667	1.5333333	0.2
14	C15 H23 O7 N3	358.1609	358.1613	0.004350628	358.1609	7074	0	4342	3572	1383	2965	0	8019	1434	2203	0	1924	2889	0	5375	7343	4657	2902	2644	2027	0	0	4534	5733	6054	0	2530	8659	4584	6813	5430	9334	8527	5218	0	7852	5786	4418	4870	1235	0	1949	0	0	0	1652	0	0	3877	4755	4283	3867	1618	0	1666	0	1284	8003	0	0	0	0	0	0	1408	1830	3122	4453	0	0	0	6199	5129	4261	3890	4858	0	3597	2650	0	3150	0	2180	929	1578	0	3669	2415	3104	12449	21521	9859	14820	0	0	0	5108	3651	2852	1006	0	3562	2979	4188	0	8447	0	0	4380	2367	Peptide	0.46666667	1.5333333	0.2
2	C15 H23 O7 N3	358.1609	358.16156	0.04020473	358.1609	33975	32132	28191	33065	32367	30443	20211	37747	34915	15570	17458	25526	67070	18598	22855	14163	36088	38875	39431	18686	28560	35422	28015	32566	14784	14056	6936	25494	35196	21825	32539	30969	52970	34016	28072	27917	42406	21308	42863	17110	19262	27024	259	0	0	15863	14496	0	37404	25885	32446	34529	33290	0	38307	21623	17201	38920	14091	13721	16555	10315	47297	35114	12562	56633	30556	46956	14802	16493	17221	34945	32633	24244	9448	26184	0	21434	24461	28840	18806	10567	10726	8036	28745	18832	26431	31045	31815	65917	62998	48718	70323	19683	9677	0	36050	32911	21286	57624	60071	32981	22076	20771	10254	41355	31994	0	21110	73899	Peptide	0.46666667	1.5333333	0.2
0	C15 H23 O7 N3	358.1609	358.16156	-0.1543402	358.16083	7446	7193	7977	7308	8283	9703	2436	9783	7109	2450	1808	4584	13387	5107	3778	0	5470	13227	10409	2966	5747	8597	7052	8648	2628	0	0	0	15142	5204	9824	8963	19713	12069	5642	10803	14619	4069	8977	2567	1334	10923	0	0	0	3067	1852	0	10807	5294	8467	6106	9424	0	8236	4612	2551	14237	2983	2097	4280	1081	15672	8905	4562	14358	18813	9002	462	0	0	7151	14019	9044	0	9510	0	4835	5499	2103	2792	924	0	0	4088	3557	3386	6700	12659	6511	7577	9103	18932	1450	0	0	7755	8319	3567	3653	4597	9118	3244	4951	1162	13261	4435	0	3697	20017	Peptide	0.46666667	1.5333333	0.2
10	C15 H23 O7 N3	358.1609	358.16138	-0.027139638	358.16086	17483	14636	13939	15113	4794	7067	12753	23563	8283	7293	4933	12052	10895	3879	18315	24891	20627	14254	16399	7321	8598	24400	15027	26085	16644	0	11279	9902	17176	15556	16649	20444	25117	15242	11999	17829	23844	13233	20591	5845	4717	11013	0	0	0	11944	6404	0	17580	15324	16810	16374	6702	0	12783	4113	5913	26985	11684	6931	24635	2168	8001	8031	4797	10072	11018	25129	0	0	2044	19991	17529	12515	13055	13530	0	12622	14966	12297	10585	6188	6451	2477	8203	6933	19237	12428	10674	30938	57339	34832	42950	6180	5403	0	16888	17345	4299	2833	3611	19374	12638	13036	0	26982	5386	0	15332	13158	Peptide	0.46666667	1.5333333	0.2
6	C15 H23 O7 N3	358.1609	358.16147	0.026851187	358.1609	29408	32764	29717	31280	16393	16874	18336	34862	27242	17628	12265	20347	32490	9719	33550	47479	29042	40235	41819	17823	19255	40639	31320	43864	19459	0	18455	20454	33164	24936	30210	34188	49217	28597	29892	32110	42837	25817	36604	12456	11599	19002	0	0	0	21236	19057	0	36518	27080	33143	30470	20392	0	42691	13749	14884	41439	26083	15710	38881	12350	28671	24408	12405	26781	23245	39814	2392	7192	5769	26511	25373	26197	16061	23199	0	19228	21603	24004	17799	10151	13994	5949	19327	16686	28123	22834	26569	57208	100233	68107	76965	14669	16149	0	33053	31085	10185	13398	16069	39672	20956	27865	10525	41120	16708	0	18708	39698	Peptide	0.46666667	1.5333333	0.2
22	C20 H23 O5 N1	358.1649	358.16534	0.09300435	358.16495	50801	45880	34268	38294	39562	28114	13734	25305	22163	94632	93760	18228	24746	18375	18943	32939	24618	34823	31650	82009	99959	58141	20071	45185	24136	124244	12189	82416	29861	22647	22657	26926	29143	31740	85865	22953	36845	17833	22539	89320	100412	24570	0	0	490	48631	54679	0	26526	20727	33811	36619	26544	1170	20868	22105	15107	33508	20440	28844	35198	64722	23053	20923	13115	27072	36513	25918	118001	133613	157677	29349	21316	18560	17528	24054	400	16433	23012	46034	19304	30272	20575	57811	28412	22061	31599	33736	29264	31502	47229	50515	51373	57319	61615	0	39299	38161	25541	22411	22147	37341	15926	42033	34434	33574	24063	0	23840	29376	Phytochemical	0.25	1.15	0.05
20	C20 H23 O5 N1	358.1649	358.16534	0.08044986	358.16492	67479	74267	61763	59910	40993	33733	27985	52556	37913	147423	135120	30927	37797	33809	35104	57275	50367	44659	53726	154240	174685	90149	31781	66607	34942	219178	25187	112860	43265	43101	35814	51547	54884	51503	127950	46629	61020	27902	48495	136390	163440	41390	2457	854	443	73952	94753	784	53543	38312	60712	75320	41114	680	27443	28692	27706	54006	37464	45617	58029	88154	40004	29845	26966	51335	48186	51147	193228	247831	293238	45937	45612	36104	34879	40288	436	32962	42209	86501	38066	44584	43048	114092	34098	30885	48748	43655	39943	83757	83824	79634	90993	98026	99719	888	66041	68396	35102	25836	40467	59715	31675	60710	41833	54823	38152	871	38056	45624	Phytochemical	0.25	1.15	0.05
12	C20 H23 O5 N1	358.1649	358.1654	-0.04087409	358.1649	42219	39841	47189	37422	15540	16192	20519	27339	21758	99881	58645	19322	16461	15600	21225	34073	33580	21498	31550	126763	141618	51829	21077	32106	25004	149531	19139	60560	31458	27363	22349	26205	29857	23680	116768	25485	30036	19616	39113	88868	107622	23359	0	0	0	49416	58733	0	33469	30156	42485	38099	18548	281	22948	12517	12170	32467	11008	38618	29103	46806	23908	17832	13196	22714	24987	37279	114630	197666	238853	25310	26515	22167	30264	26100	0	17544	31503	27844	22938	25649	20339	50807	16269	13053	32693	16224	22313	75065	44452	36725	53894	48726	64622	0	44988	53294	21673	12859	14162	32573	18783	37888	0	30783	16539	0	24020	21720	Phytochemical	0.25	1.15	0.05
10	C20 H23 O5 N1	358.1649	358.1654	-0.047954474	358.1649	40263	38163	43098	37661	22376	15429	19272	30849	18796	116825	68829	16928	19375	18769	17870	34306	28983	21052	32162	134869	150933	47308	20805	37528	20369	165352	18524	64258	27927	26171	24765	33008	36637	25225	121593	28028	34749	17717	33652	87155	91399	17867	485	0	0	42521	53044	0	31047	26447	41000	43296	18410	0	23374	14451	8670	37790	5298	24660	28125	40493	18851	22402	10288	21055	19423	33809	139501	207966	215211	28973	26226	22419	25483	24852	0	19628	29778	37245	20680	14530	12255	55864	16399	13504	28829	16790	16655	55413	39929	22448	52799	45813	78874	0	45583	43677	15391	13829	10139	33437	16709	32073	0	25160	14139	0	22963	21541	Phytochemical	0.25	1.15	0.05
6	C20 H23 O5 N1	358.1649	358.16547	-0.0622496	358.1649	28041	29702	25933	24749	10630	15056	11773	21269	13208	80573	39545	11551	12339	10538	12549	26753	18535	18082	28858	85890	102844	32735	13881	29672	14269	110306	12725	39777	18782	17230	21064	22416	24343	18499	83328	18067	25461	12456	23580	46920	54809	13336	0	0	0	33978	43964	0	25171	18505	25490	27194	12473	0	15507	7430	7153	22913	1782	10610	23537	29627	13908	11096	5801	13831	12248	25766	78946	140917	151550	19055	17207	21096	14248	17953	0	12169	15509	24446	13903	10908	6451	36392	9491	8676	17663	12076	12823	32783	31125	15451	33679	28093	54494	0	26993	28439	10880	7560	7108	24835	10227	27630	13694	19047	8075	0	12901	15557	Phytochemical	0.25	1.15	0.05
14	C20 H23 O5 N1	358.1649	358.16537	-0.017423898	358.1649	46662	55674	49810	57903	29978	26923	28369	41186	25979	124169	77164	31612	26083	18725	24244	50781	44333	33978	38048	135053	166421	73626	27318	51301	32677	196261	28814	84946	28960	32615	26988	36527	48032	33756	123375	32402	38609	23342	54333	103663	133424	23376	0	0	0	52492	65979	0	43139	37226	52119	57951	27116	257	27800	16981	18675	47100	19168	43355	34252	63794	27797	26191	15931	31219	28393	53971	162729	226740	271349	35294	31893	31642	43135	31656	0	25365	46197	44179	30811	34992	31554	72377	27306	13611	43051	30322	30738	98756	70763	51839	96540	62153	89513	0	53181	52992	25294	22693	20753	42904	24978	48013	19661	51889	20869	0	38836	27890	Phytochemical	0.25	1.15	0.05
24	C20 H23 O5 N1	358.1649	358.1653	0.10611091	358.16495	12458	12205	15230	12748	11383	8477	3424	7417	8980	23251	26678	6072	10364	9065	4120	9339	7237	14132	18879	19231	29247	18549	7320	12157	5149	31545	2322	22203	7738	8669	5785	10339	9017	7579	27073	8700	10589	4602	7734	26902	30883	7812	0	0	0	13910	23729	0	8425	5871	15038	13761	6382	0	9770	7565	5816	9074	6187	9202	9870	14220	9514	4001	5720	15373	11425	9408	45554	30066	52285	6258	8046	6390	5557	6876	0	7514	7368	17619	4951	10216	8024	14224	16205	4126	8721	9286	9858	11033	12543	13567	15124	18189	19310	0	10583	14892	6531	27838	25389	11795	5201	8518	11028	11429	6985	0	7424	6470	Phytochemical	0.25	1.15	0.05
4	C20 H23 O5 N1	358.1649	358.16553	-0.023009587	358.1649	14560	14947	13229	14054	5796	6686	6714	15049	6612	31897	15525	9000	5680	6747	10451	17167	14606	10450	10077	33944	43715	17768	12049	15731	8579	53070	8586	13094	10547	10768	10411	10347	13110	8990	38714	14106	12020	8810	14045	23920	22939	6624	0	0	0	16463	23672	0	13219	13748	14170	13957	6844	0	8130	3616	3844	11719	1545	5124	12960	16799	5314	6353	3634	6335	6381	15090	38581	55554	63281	10324	11337	13269	14609	10933	0	9007	12330	13039	10424	7828	4849	18097	6354	4768	9143	6166	6696	19208	13955	8234	24051	13091	31773	0	12057	15933	5941	3465	4610	12961	8476	16973	10811	11411	4026	0	8878	6422	Phytochemical	0.25	1.15	0.05
16	C20 H23 O5 N1	358.1649	358.16537	0.014037415	358.16492	68642	81003	73986	67213	35523	29811	36779	54814	34203	131031	97163	39979	30955	26051	31037	64301	55853	42594	52125	157966	178663	96948	39719	68643	30873	234958	37322	96269	37664	40723	43690	45746	60085	38287	135523	49964	54775	26592	59588	126598	145972	33960	1249	501	546	65789	86341	0	47529	48848	71171	64857	39655	437	28451	24610	23189	66505	39257	55118	58744	78201	36361	32234	22906	33988	42450	62692	194103	263215	332060	45308	42449	38965	49850	40502	0	26708	53686	80486	38451	51978	44338	90902	29737	24639	56077	41384	34522	106331	72975	86873	105278	78788	110429	979	74398	70688	29439	23461	25695	59177	26911	65504	41253	59015	23987	0	43832	47048	Phytochemical	0.25	1.15	0.05
28	C17 H27 O5 N1 S1	358.16827	358.1686	0.15113716	358.16833	2831	3381	4373	4613	22773	19941	967	0	9239	1955	0	3064	6810	73109	0	2527	0	19102	20183	2211	0	0	0	0	0	0	1689	0	4571	0	1309	2609	989	3291	0	2728	2212	1433	0	2369	0	26386	0	0	0	0	0	0	3659	0	4081	2762	28456	0	7449	4515	13855	2392	2519	1302	0	1578	0	6054	29503	7997	31529	1140	0	866	0	2356	2496	0	0	1699	0	2741	0	0	0	0	2694	1066	4558	14506	0	3278	7217	2390	3689	1716	0	0	0	0	6041	5506	6889	0	0	0	1567	4648	0	1368	21464	0	0	2687	Organosulfur	0.29411766	1.5882353	0.05882353
26	C17 H27 O5 N1 S1	358.16827	358.16858	0.08843834	358.1683	3071	3868	1973	2035	23574	9136	1891	0	5362	1992	0	4003	4381	37676	0	0	0	10457	8083	0	0	0	0	0	0	0	1560	0	0	0	0	0	0	2525	2175	0	1698	0	4887	0	2285	14398	0	0	0	0	0	0	3111	0	2668	3179	12795	0	0	0	7964	0	0	0	0	0	0	0	9716	6318	13491	2751	0	0	0	3821	3391	0	8256	0	0	3273	0	0	0	0	0	0	0	0	3316	3381	5177	5543	3150	0	0	0	0	0	3152	0	5476	0	0	0	0	0	0	1910	7162	0	0	3347	Organosulfur	0.29411766	1.5882353	0.05882353
16	C22 H24 O2 N1 Na1	358.17776	358.17828	0.42673254	358.17792	15090	14616	16224	14601	8034	9044	15388	18334	5108	7640	8880	12533	7352	5620	17508	30912	24644	9752	14726	21964	0	16468	12756	23314	16202	16504	19750	0	27016	29836	33441	17309	41574	30962	13884	35437	39394	10114	34010	17632	17600	10848	0	0	0	14286	14998	0	45571	22784	16078	22499	5144	0	9888	6472	7450	25872	6022	14548	0	9954	0	4946	3908	10420	10974	32910	10058	15060	21502	28018	31401	21779	21584	42129	0	16839	21842	22618	11870	7370	13164	15526	3898	7626	28218	16530	8250	0	33300	22374	0	16170	15752	0	12266	15404	3876	0	6366	45612	9918	17128	0	0	6002	0	21912	6700	Phytochemical	0.09090909	1.0909091	0.045454547
14	C22 H24 O2 N1 Na1	358.17776	358.1781	0.4049421	358.1779	109845	108667	96252	99860	40361	44080	160431	166361	29570	53490	89768	115900	27215	34802	94390	174378	177785	61180	64121	91760	111896	153320	94450	205626	136975	127007	100312	27080	255504	200053	181097	250075	193107	270356	73267	153620	180592	118054	240158	143462	193198	81939	0	0	0	83818	145620	0	242480	106809	103720	0	53649	296	75699	20280	50259	194547	90213	138456	30102	65068	39570	43190	33510	45674	85996	236596	29747	139111	176221	230512	302738	126883	138890	224707	0	111538	145450	0	111505	93358	108170	125577	31771	0	135176	86370	72906	321863	189035	147847	219525	123000	156065	632	129893	88245	44676	36465	40390	187238	99922	133075	0	166952	52271	0	156850	35590	Phytochemical	0.09090909	1.0909091	0.045454547
12	C22 H24 O2 N1 Na1	358.17776	358.1783	0.37256372	358.1779	17010	43589	17432	29316	5890	9634	18942	32252	0	15114	10130	16178	6722	3400	18504	89939	37318	9738	14904	31594	27363	24596	18976	30500	19486	22058	13636	0	57367	141534	28937	66590	44209	31899	15480	35062	47658	15142	81973	32958	31362	14170	0	0	0	19088	26052	0	36257	30218	12212	27209	9098	0	5808	3522	6776	40130	16720	22798	36486	19370	5218	3928	4922	7206	13854	62615	0	26490	28212	19824	29438	28637	36995	43745	0	18484	29866	0	23096	15410	14472	28780	5936	6140	28912	14028	15244	84556	39611	30498	49316	17976	32392	0	26272	16864	4676	3152	3862	31610	20019	20620	0	31178	6644	0	29464	2798	Phytochemical	0.09090909	1.0909091	0.045454547
8	C17 H27 O7 N1	358.18604	358.18658	-0.017758697	358.18604	71217	62404	57079	64400	29083	34435	48152	93516	38698	66813	31926	48802	58037	16631	59234	98260	56746	48416	68832	84851	71341	80605	67031	78246	44665	38982	50727	27818	84180	74072	66452	82406	87370	70428	89198	74577	79596	51989	64932	53725	48030	37047	579	283	482	77581	61884	0	90481	75083	67439	67131	33767	507	62703	36242	27532	73285	56934	47118	78881	37777	53451	44907	24419	46042	34781	65048	41422	52951	49785	75133	67082	73623	55614	73589	0	49217	58413	26402	47823	36069	57013	31735	43237	26252	51505	28051	41633	63150	87028	84963	87198	37176	64505	516	65181	75625	28579	37874	43332	86024	45696	111453	25566	59173	34266	0	40288	59856	Lipid	0.4117647	1.5882353	0.05882353
6	C17 H27 O7 N1	358.18604	358.1866	-0.048737228	358.186	42041	45532	37498	39091	21367	22362	27600	54637	28302	45982	17910	23330	43618	12589	38830	53479	27864	35495	45873	51945	50449	105482	34137	55371	25056	20072	21781	18670	73690	43775	48156	53049	62264	42070	57748	49511	63570	24668	34218	32895	31850	24426	979	0	269	47810	35963	0	67518	50969	40494	41415	23707	264	44077	20720	14000	56404	31418	24128	55088	26430	36064	29031	10786	31928	25597	37102	20849	39929	30819	43247	42772	51173	22631	40673	0	29416	23846	19796	21367	18007	27494	18013	24943	15715	31792	18640	30714	39188	109786	71723	60675	25201	38437	313	44467	49381	13616	20592	24838	58871	24610	71112	18292	41634	22898	0	23447	50143	Lipid	0.4117647	1.5882353	0.05882353
2	C17 H27 O7 N1	358.18604	358.18677	0.1544571	358.1861	112636	108419	102999	113894	11647	22724	68370	212705	15470	24623	25690	130988	17777	6435	125710	22365	91194	39350	105582	86084	60856	52452	50766	37499	47923	5595	9962	14669	658812	344559	681388	252881	334844	130773	50445	218452	120035	119942	246412	18009	15217	47030	0	0	0	34739	49896	0	599297	218800	110956	96923	18221	0	39072	7354	32577	178539	49308	44914	24745	10098	17913	30337	37007	19219	60599	225792	9020	18724	15442	144882	173016	75963	21789	279122	0	116146	57405	16335	70757	35104	49742	7183	11084	12660	44220	23064	130139	29323	51838	70042	94230	12418	9515	490	116084	87614	10090	9381	9618	108757	115412	263782	36773	48923	9343	0	65575	38220	Lipid	0.4117647	1.5882353	0.05882353
14	C17 H27 O7 N1	358.18604	358.18652	0.00914855	358.18604	255199	242142	234042	233366	209866	207011	207365	387614	248156	188188	139537	166643	376939	129480	338242	382108	385192	441012	436530	398014	409618	248398	369194	425239	313813	339462	172612	175363	443045	358182	228732	289495	380287	232536	252615	395458	293976	229545	307155	208472	207339	302875	8576	1457	1053	310405	263753	1429	268350	305245	225716	211421	239519	1907	453131	300122	137443	319583	275792	194772	394097	176569	307680	291141	163143	273803	236938	244151	311237	318442	239772	248297	242844	321910	320646	265939	1002	228621	308490	207655	259513	188736	231239	147664	329102	220080	304362	186196	214581	253848	239358	253494	456439	163803	229264	3846	218639	357175	204803	262344	351683	408751	183848	381937	142603	242477	263157	1290	199583	276709	Lipid	0.4117647	1.5882353	0.05882353
6	C16 H27 O6 N3	358.19727	358.19785	0.050301775	358.19727	35502	38737	33019	32054	6227	10651	9902	16794	7506	14968	18911	7995	9611	4249	12937	19963	7920	13788	12817	7206	3860	19269	9454	18616	15569	501	8226	82311	17948	12701	14229	18856	16534	18077	11613	15074	18785	11755	11119	2450	2277	7123	0	0	0	6644	4466	0	15422	13220	33998	37637	5563	0	12332	2357	3680	25549	3811	1839	17743	2548	9427	6370	4610	9903	8182	13455	0	3043	0	19021	14291	13174	6235	11992	0	8461	7906	131100	7939	2221	4231	2122	5213	5408	13192	8148	10743	19234	2168383	1046184	29046	49124	22818	0	34854	32012	3816	4220	4043	17380	8259	7030	0	13834	5331	0	8893	11225	Peptide	0.375	1.6875	0.1875
18	C16 H27 O6 N3	358.19727	358.19742	-0.076706044	358.19724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1550	0	0	0	0	0	0	0	0	0	0	0	25248	0	0	0	0	0	0	0	0	0	0	1480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6798	0	0	0	0	0	0	0	0	0	0	12814	3095	0	0	0	0	0	0	0	0	0	0	0	0	0	1467	0	0	0	0	Peptide	0.375	1.6875	0.1875
4	C16 H27 O6 N3	358.19727	358.1979	0.01930326	358.19727	38738	39465	38375	36470	7063	15401	8009	12941	9710	10836	20455	6927	13459	5834	12736	14267	9824	14358	11894	5203	3513	15043	10744	14483	11869	989	9224	96184	13780	7990	11376	13664	18621	11260	11138	11428	14603	9330	11437	4054	2628	7117	0	0	0	6383	2916	0	13847	9376	37514	30451	6707	0	14309	4186	4217	19067	4572	3182	15599	1998	23413	10527	3360	11352	6910	11792	0	3535	0	10419	8761	11383	4615	8860	0	9062	7757	375219	7101	3295	4072	1913	11490	9786	10909	7639	9131	12364	2519933	1580435	26725	65518	23769	0	33897	38785	7738	5134	6780	14358	7776	11145	0	13459	6403	0	8155	15665	Peptide	0.375	1.6875	0.1875
16	C16 H27 O6 N3	358.19727	358.19778	-0.020045726	358.19727	1823	0	0	0	0	0	0	0	0	0	1939	0	0	0	0	0	0	0	0	0	0	0	0	2098	0	0	0	20802	3154	1614	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2358	0	0	0	0	0	0	0	0	1450	0	0	0	0	1339	0	1296	0	0	0	0	0	8750	0	0	0	0	0	0	1567	0	0	0	25600	18580	0	0	0	0	1794	0	0	0	0	0	0	0	0	0	0	0	1020	0	Peptide	0.375	1.6875	0.1875
10	C16 H27 O6 N3	358.19727	358.19772	0.03332989	358.19727	10284	7078	8581	9430	2131	7188	4652	7081	1310	4085	2208	3314	2616	1677	5009	11216	4392	3475	4089	1861	2491	5585	3677	8313	6295	0	3291	7593	8594	4290	4818	11085	10273	11559	5001	7527	15254	4198	5507	0	0	3269	0	0	0	0	0	0	8527	5418	7752	6632	3138	0	2476	0	1293	11087	0	0	0	0	1603	1178	1543	5541	2917	8082	0	0	0	5743	6319	5531	6039	5366	0	4632	3106	15221	2578	674	0	0	2022	1634	5127	2632	5992	7079	187789	82238	11125	5593	4322	0	6488	6594	1478	861	0	11745	2384	4227	0	7225	0	0	6090	3548	Peptide	0.375	1.6875	0.1875
2	C16 H27 O6 N3	358.19727	358.1979	-0.08462027	358.19724	21208	19507	19153	19726	10331	37035	9428	17568	11953	4812	16144	7882	17556	6097	14899	11904	12004	15407	15125	6321	6382	14185	12429	13876	12470	954	4215	105494	17323	10075	16867	13902	24557	17482	7767	14083	19213	10047	16580	4095	3238	8244	0	0	0	6625	3081	0	16612	10669	16872	18351	10666	0	15490	5608	5042	19245	5494	2701	13209	2532	15036	11315	5238	16099	12215	18747	1277	3524	2167	14855	17339	13448	3059	11087	0	9637	11736	550143	8560	2291	5184	2058	10043	8712	14612	11154	11441	25330	501999	310169	34444	64571	5033	0	16582	20543	7533	5078	6932	15267	10647	9458	2441	19189	6921	0	9798	19562	Peptide	0.375	1.6875	0.1875
14	C16 H27 O6 N3	358.19727	358.1976	0.051358763	358.19727	0	2523	1747	0	0	0	0	0	0	0	0	0	0	0	0	0	2199	0	0	0	0	0	1882	2610	1574	0	1558	15344	1960	1721	1676	0	5550	5341	0	2506	3065	0	3524	0	0	0	0	0	0	0	0	0	1885	1270	0	2539	1026	0	0	0	0	3822	0	0	0	0	0	0	0	0	1213	3229	0	0	0	1403	2342	2107	2891	2264	0	1972	0	0	1541	0	0	0	0	0	0	0	1124	0	29400	11219	7882	0	0	0	0	0	0	0	0	0	0	0	0	2578	0	0	2662	0	Peptide	0.375	1.6875	0.1875
8	C16 H27 O6 N3	358.19727	358.1978	0.03510956	358.19727	21968	23453	20976	19624	5685	6818	8711	11806	6497	9824	8967	5985	8895	2669	12867	16679	7926	7309	9382	4573	5156	14521	7755	12805	12060	0	5037	32948	11554	8878	11972	19887	13057	14793	9583	11721	15539	9778	7752	4486	1878	7844	0	0	0	5990	1702	0	16868	8711	18527	20781	5886	0	8928	2217	3982	17482	1943	1267	14310	1511	7612	3728	2929	7866	5353	11253	0	2372	0	7710	11235	7723	6390	10593	0	7678	7370	76235	5738	4516	2599	1501	2217	0	11437	5625	9404	12197	1065952	564011	25836	24728	15191	0	22682	19518	2601	1693	2384	13542	5833	4748	0	12642	2453	0	10158	8754	Peptide	0.375	1.6875	0.1875
20	C21 H27 O4 N1	358.2013	358.20172	0.055967215	358.2013	36711	42507	40158	37514	24171	22023	19593	28099	12073	65609	62443	25066	8308	12738	16946	41492	43738	14161	26287	77132	75500	49602	20271	40877	25245	124041	21846	55585	28862	30787	27586	33637	40065	32959	55408	29079	41034	16610	42191	59537	96597	26368	884	0	0	35755	50559	0	33077	29239	34900	39546	19064	315	15784	16511	9011	39029	18663	41447	31854	32995	7806	9858	12063	20735	22150	46302	105323	111617	172399	30379	30630	30126	36938	28127	0	21300	24345	37884	14834	22260	24045	46769	13442	8825	33230	24647	23913	73754	45437	45581	63831	40982	46224	0	36702	35118	11312	16275	13448	44472	18805	42985	25060	41359	11532	0	25458	15921	Phytochemical	0.1904762	1.2857143	0.04761905
12	C21 H27 O4 N1	358.2013	358.2018	0.017821454	358.2013	30728	34656	33070	31331	8756	11785	25053	46574	4087	51998	43450	51665	3532	5230	45039	114013	39977	7387	18292	90707	74372	17819	46068	39178	77322	84367	37226	37422	29127	24687	47258	32507	54830	23917	69353	25545	48492	45511	50149	36022	22899	15242	0	0	0	26227	25506	0	58550	38141	33623	32899	31815	0	4514	2917	12595	68454	0	0	80084	12842	4068	3644	13147	16430	24391	53230	65729	114563	108373	41906	25417	20847	37027	22675	0	56225	78635	16439	51005	3264	2963	28877	3011	7049	74526	14392	15186	42354	32488	5861	32506	19365	34207	0	39979	34559	8778	2735	2658	49378	42222	16164	0	41134	2676	0	80191	3268	Phytochemical	0.1904762	1.2857143	0.04761905
10	C21 H27 O4 N1	358.2013	358.20178	-0.004533735	358.2013	33304	25817	29572	31598	10750	12808	16858	41720	6344	67725	38094	27044	3324	8240	22809	57819	31989	8533	14213	92601	86730	17154	25516	47666	26391	81006	25846	38913	33922	36204	38566	41154	48791	37319	70350	37909	49914	19503	35496	35733	17725	15454	0	0	0	23128	28175	0	42923	33213	34601	28168	17027	0	4387	3593	7154	42659	0	4042	46995	14106	4506	7265	6908	9160	14521	48888	52334	108281	91497	37981	33462	35135	36635	36337	0	23673	22599	20492	21325	3830	1443	31217	2653	4903	25914	15950	19060	54533	39306	3746	47866	21382	43452	0	29239	33807	5315	3346	3566	42149	21185	20482	0	33350	3786	0	27816	2531	Phytochemical	0.1904762	1.2857143	0.04761905
8	C21 H27 O4 N1	358.2013	358.20184	0.019624675	358.2013	60257	64362	46862	63504	6267	14065	47601	88778	6142	70176	51960	62422	5327	7238	48357	98980	112716	10575	23304	108368	105515	32897	47778	85719	32276	59698	74835	48155	86037	87957	73267	103437	80657	94352	89137	93658	93443	48493	134442	72325	31911	28985	0	0	0	45801	52525	0	121886	83796	58987	58143	14406	0	5949	1295	14227	76118	0	2666	92764	26887	3279	6388	12607	11782	24099	128160	34634	63755	75100	92695	94031	76048	114886	92858	0	54268	51182	33031	53232	4566	7212	52854	4259	8876	39421	35111	30951	83336	44408	7821	93955	33983	63929	0	71412	58950	3833	0	2739	105845	48705	76765	17684	64644	2533	0	48108	3647	Phytochemical	0.1904762	1.2857143	0.04761905
18	C21 H27 O4 N1	358.2013	358.20172	0.021164678	358.2013	26535	26150	24073	26482	9077	12771	14197	20032	7211	36790	41624	14701	3818	8872	13898	31256	32347	6385	17385	54970	64030	31521	18231	26247	15411	77687	18963	39219	16244	20927	16755	24201	30336	15798	36955	22882	19402	10365	33654	41354	63799	15104	368	0	0	23349	33482	0	23257	18704	28538	25977	14146	0	8931	6351	11858	24706	8735	33519	30346	19776	6730	8742	7111	9133	15707	39770	77457	76245	125782	16894	14063	20185	26093	16173	0	10536	26245	27014	14476	16787	17158	33537	8058	10175	26117	17009	15073	61645	26364	26325	41203	32013	38107	0	23321	22783	6746	11352	13320	26378	14218	22176	15690	21364	9275	0	22402	7891	Phytochemical	0.1904762	1.2857143	0.04761905
4	C21 H27 O4 N1	358.2013	358.2019	-0.1024682	358.20123	7675	7526	8498	8742	648	3550	6107	19311	865	12631	4820	8398	345	895	8793	15485	15584	1662	3169	15757	15066	9132	7957	17119	9058	9133	9405	6190	13746	10926	10466	13625	12615	12028	12231	14787	14403	7536	15560	9605	6907	4258	0	0	0	6597	7089	0	13751	17752	7894	8948	2149	0	0	375	1424	11697	0	488	11763	7305	260	1385	0	1347	2897	16769	4623	9139	7390	11527	11730	17660	14576	12912	0	8031	9003	7551	7007	1564	1852	8162	746	1449	6194	4094	4840	18093	0	2671	20823	6792	13484	0	10739	9931	0	325	0	11041	7456	11911	4034	10545	658	0	8503	728	Phytochemical	0.1904762	1.2857143	0.04761905
16	C21 H27 O4 N1	358.2013	358.20175	6.83617E-4	358.2013	8813	20145	15471	19866	6669	10252	10392	12837	3851	34361	30549	10871	5044	5190	10727	20735	20129	5010	10251	49207	45231	14979	7404	19611	9544	64298	14987	34403	12456	12542	12605	22376	21105	10650	39911	12148	19702	11484	26934	25887	43088	7293	234	0	0	14003	18297	0	17163	15549	20157	17846	8914	0	7361	2438	4517	17639	6101	19524	19767	18936	3332	4519	5417	5794	10917	27387	51188	74237	84324	14394	12880	17055	19522	14135	0	8180	12920	19604	8897	7143	7786	25438	5924	4817	14114	12240	9111	41375	19949	14957	0	17194	27697	0	20854	12321	5376	1873	5925	18554	6898	12650	7557	16159	4706	0	15528	4099	Phytochemical	0.1904762	1.2857143	0.04761905
14	C21 H27 O4 N1	358.2013	358.20175	-0.03258627	358.20126	18905	18798	19781	16760	8401	7100	8404	13310	6420	47304	39863	10481	3314	6895	8222	22807	18363	5413	7732	59641	58197	14495	7349	16504	7234	75191	10402	35768	13713	12458	10123	14025	16592	13544	44340	16164	15171	9350	21336	31592	26442	10070	0	0	0	16836	22257	0	19012	11427	18170	16494	7188	0	4018	2083	5801	16011	0	11626	0	10041	2338	1921	4508	8372	8459	29391	49834	89157	88007	10392	12598	10479	13427	9841	0	7658	11616	0	8240	2405	5156	23145	5149	2409	14414	8734	8764	36331	20818	7348	28221	20240	29055	0	11673	13602	3003	3837	4554	12418	8400	13310	0	14853	3353	0	9852	2654	Phytochemical	0.1904762	1.2857143	0.04761905
26	C21 H27 O4 N1	358.2013	358.20172	0.19446257	358.20135	9171	10447	7690	8871	7358	4030	2106	6341	4725	7619	12827	3759	4238	4192	0	8262	0	0	4854	12318	16907	7927	5082	7347	0	21980	0	12790	0	6256	4180	0	9922	4637	9293	0	9156	3143	6090	9322	15934	9081	0	0	0	6603	0	0	6146	0	6131	6256	7299	0	0	0	2987	9078	3656	5364	8627	9863	3801	2732	2393	6428	9483	7567	24490	10344	20378	5867	5704	0	0	6368	0	3944	23247	8413	3538	4314	5504	10986	5788	0	64305	5770	4438	78248	9130	7224	14461	6955	0	0	6331	6025	3366	6216	5917	11552	0	9353	0	8009	5740	0	8245	2532	Phytochemical	0.1904762	1.2857143	0.04761905
6	C21 H27 O4 N1	358.2013	358.20184	-0.07223868	358.20126	27973	26682	25108	23058	2496	7478	20462	45567	2556	40771	19507	20409	1939	2785	19637	52852	33442	5290	9388	47718	54371	17624	20817	47779	24088	29666	21378	19284	37109	36298	47240	41897	38006	38510	35500	38384	41548	19237	39837	28835	13894	11799	0	0	0	20003	26915	0	43865	41422	25513	23282	6948	0	3954	1015	5412	39125	0	1213	43748	12234	3021	4260	4886	5422	10779	48880	20440	33975	34950	34294	35620	38111	37325	32450	0	17529	19351	25876	20545	2649	2975	24652	1534	5870	18348	11240	11608	50726	18841	0	44041	19626	42961	0	28494	22021	1298	1195	798	37862	19505	32335	12021	30981	2230	0	21230	1953	Phytochemical	0.1904762	1.2857143	0.04761905
10	C14 H31 O9 N1	358.20715	358.20773	0.18878703	358.2072	641599	644687	571710	613094	219183	171377	144890	134513	90368	583239	1301512	79476	209133	230702	77849	230281	0	175381	98341	408989	285066	447991	81311	306720	97661	101824	467361	2120735	111207	171814	74565	107952	83102	87505	145210	141876	81146	54414	71570	1046638	706553	193957	411399	70390	115402	1429427	1389386	124364	124508	167346	585084	583347	114993	159914	92435	69157	104393	287621	1779599	317324	3407721	991370	411864	92037	134083	419888	453783	127806	813506	548737	543133	135148	77513	127597	89196	88665	134011	41200	64124	2815005	61838	168571	85296	83581	116324	142855	51357	250596	112328	131979	523310	377953	183761	753184	915211	71040	649700	744653	92690	61022	127147	139747	52032	818067	12984961	79872	109735	128181	65230	186948	A-Sugar	0.64285713	2.2142856	0.071428575
8	C14 H31 O9 N1	358.20715	358.2077	-0.07409661	358.20712	14009	13407	12269	13316	3908	4074	17226	4864	4087	2886	10644	2792	5268	2637	5784	4748	14097	3644	3870	6218	3902	3310	5778	4813	5312	19246	79621	33801	2842	4767	3163	1818	2407	2632	2289	2971	2737	5041	9547	4021	109566	6732	8992	4982	7934	8138	368935	4117	2313	4375	16355	14700	3257	10592	4243	4916	4835	2094	9226	176404	8378	30102	6321	2569	5052	3378	3182	25996	296119	6939	475915	3142	2610	4609	5408	2015	9824	3887	5859	29864	5789	9254	4996	5064	8573	6502	3952	3322	2267	25497	0	0	4065	39111	10340	4283	14334	21593	3785	5423	6741	3444	4559	5832	95315	2643	5945	4429	4171	2229	A-Sugar	0.64285713	2.2142856	0.071428575
6	C15 H27 O5 N5	358.2085	358.20905	0.22725226	358.2086	0	0	1079	1118	0	3306	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1129	0	1710	0	0	12373	0	0	0	0	0	0	0	0	0	0	0	0	0	472	0	0	0	0	0	0	0	0	1837	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	842	17676	37750	0	0	0	0	0	0	0	0	1507	10438	0	0	1488	0	0	0	0	836	0	0	0	0	0	0	0	3088	0	5606	0	Peptide	0.33333334	1.8	0.33333334
14	C18 H31 O6 N1	358.2224	358.2229	-0.001188786	358.2224	14938	16472	16121	13787	12737	16344	23397	27728	5110	4335	4504	12941	11964	7704	12366	32390	43018	15431	17544	12709	10430	13264	17042	22977	21183	8099	18071	0	29263	30189	16413	24300	27700	18205	9730	33938	24030	17142	45269	6446	5034	19570	0	0	0	12792	13208	0	27060	26350	16532	12754	9263	318	11605	14921	7654	23672	6204	11404	21433	3829	9513	5326	7903	13865	9360	33995	0	7146	5559	15458	18489	25673	36466	21167	0	13533	17253	0	11916	7408	23625	12480	16978	13091	21881	13182	12975	23075	23386	14372	27198	4956	9420	0	14301	21693	6981	16434	25975	24132	13867	21034	0	19847	15002	0	17166	8659	Lipid	0.33333334	1.7222222	0.055555556
6	C18 H31 O6 N1	358.2224	358.223	-0.020256607	358.2224	15534	12456	14615	16654	4740	5885	15245	28288	3574	5526	5256	13971	7156	3506	10915	38832	10123	5363	8326	10846	10256	15050	9495	11943	14570	4306	13153	8042	41650	76977	39286	34367	22550	13671	13865	57479	22031	9331	13774	6108	3228	6185	0	0	0	5884	6862	0	27019	25900	15326	17038	4847	0	6525	4751	2672	40753	1344	1349	27045	3527	4935	3732	10485	6056	6671	12622	11146	9213	10302	12625	17911	57501	22119	62396	0	13279	6176	6823	5334	3392	3432	3549	3365	4247	17911	4509	5679	24836	30672	27162	20673	7229	9116	0	15827	14957	3442	3564	4244	23422	10827	17279	0	17214	2413	0	11517	6485	Lipid	0.33333334	1.7222222	0.055555556
22	C18 H31 O6 N1	358.2224	358.22284	0.028418062	358.2224	68306	65054	65633	69569	74185	72485	133394	63075	64505	58744	29457	37991	102457	65892	65472	74592	48819	116424	120873	68781	59270	47606	50612	57745	57221	36493	90326	47006	113112	77388	64578	88991	93989	84711	53060	92488	103023	47208	42589	38438	31204	70583	11232	0	1651	55194	37187	0	87370	70453	71867	64078	71794	5937	104051	60385	44813	77594	43430	50615	71289	26586	79733	72460	44710	110803	97420	56919	17511	42174	25788	61331	69101	70909	53819	74188	2551	47983	50217	42328	33491	34494	81500	87704	63310	67608	63669	60470	70532	53797	116774	116131	66460	29164	57021	0	54274	75972	55599	56435	60896	109164	36438	71793	49496	60712	62169	0	48335	82968	Lipid	0.33333334	1.7222222	0.055555556
20	C18 H31 O6 N1	358.2224	358.22284	0.033647727	358.2224	61845	63649	68471	61793	62771	58627	169884	68578	53248	41517	28235	39149	86404	64440	71045	82348	68975	86873	100232	62277	48377	44255	54570	69094	60720	53748	146005	37402	100339	85699	56715	84838	96847	94068	42472	87136	98430	42247	68445	33009	34428	67557	7728	647	462	53513	48061	0	86893	70719	63981	61240	60225	2937	83604	62043	42076	84468	47147	57324	82491	24130	70462	61747	64568	92715	81298	67855	22271	36983	26260	63207	84360	82026	88973	80048	602	46625	53451	56483	34777	29735	173753	105617	58311	48229	71212	64967	68831	57969	102237	89504	93156	29088	61693	1240	67971	74581	42297	58449	75369	114320	44541	77143	49696	59205	51714	0	50841	63106	Lipid	0.33333334	1.7222222	0.055555556
2	C18 H31 O6 N1	358.2224	358.22305	-0.08601887	358.22238	10088	8589	9251	8606	950	0	9242	14914	1033	5467	3231	9510	1112	693	9384	13773	11221	1805	2726	7076	5921	9672	7844	10290	8809	1973	7516	2826	15402	11966	13023	14894	13481	11030	7033	13885	11716	8804	14357	5091	5000	4303	0	0	0	4761	5465	0	12967	12344	9200	10941	3458	0	1498	870	2694	19822	2850	2704	12239	3180	1115	2002	2463	2484	5716	14311	2126	3677	3694	14298	11839	15531	9064	11003	0	8626	9295	4454	7526	2886	4920	3662	1485	2655	11765	2492	4628	22700	19202	15563	18031	5332	7063	0	10302	9761	1159	705	947	10736	7935	11178	3039	10501	1351	0	8528	1524	Lipid	0.33333334	1.7222222	0.055555556
16	C18 H31 O6 N1	358.2224	358.22287	0.026227497	358.2224	24765	30061	26308	27858	20376	21989	75385	43307	14372	5868	11310	29407	18924	25469	24408	54128	62383	30937	32719	15958	22962	19393	26912	36932	26641	31251	64669	12462	49830	41048	28350	41265	36611	32285	7648	49535	38955	18877	56158	14030	13798	24834	3819	0	0	22888	22847	0	36604	39255	27116	31956	25329	1147	23682	22005	20187	43963	18059	23249	44450	7397	24628	16233	20706	27636	29804	50491	13753	10608	14904	23282	30184	43733	47923	32964	0	26259	35582	21752	21480	15656	139681	103482	33124	27570	41832	24867	26184	48435	38419	32293	44701	15094	24225	1013	29356	34073	14698	27965	42695	59750	20388	33601	11648	41945	22534	0	28291	13130	Lipid	0.33333334	1.7222222	0.055555556
12	C18 H31 O6 N1	358.2224	358.2229	-0.02866285	358.2224	7487	9212	9376	8626	5280	7260	9481	23678	2267	2823	4331	8612	3662	13492	13823	8633	20578	6515	12719	7396	6110	11138	13481	15978	15200	3138	3534	0	25393	14775	19479	21537	26108	16515	10033	22543	14473	11891	14459	0	0	7260	0	0	0	7434	5052	0	18119	10849	11629	11224	5635	0	5431	7380	4397	18831	0	0	0	3641	4820	4124	5285	8646	9188	15217	0	5262	0	16478	19003	21184	8416	13053	0	14341	13901	0	10458	3595	6043	3607	6050	6358	16946	23155	20866	28868	17696	11004	24562	5237	1765	0	7255	9643	3193	7559	13265	14392	12046	5765	0	18113	8976	0	11036	5168	Lipid	0.33333334	1.7222222	0.055555556
10	C18 H31 O6 N1	358.2224	358.22293	0.01813488	358.2224	10150	10346	8807	10965	4675	5582	6407	22390	2319	5623	3268	6721	3721	5398	11838	15100	8382	6900	9840	8194	6864	11045	11652	16409	13445	2603	6454	0	21281	18934	13236	21507	16147	15190	10639	19732	19867	8549	14369	5713	1886	5437	510	0	0	7713	4609	0	20318	15829	9770	10848	7125	0	6346	2089	2580	21124	0	3086	15287	2850	2825	2690	3138	4835	4165	15931	0	3472	2326	15035	18937	20292	9561	16393	0	10632	9693	0	7058	3217	3269	0	3923	4306	15490	4979	4930	17523	26179	15000	24995	1924	9570	0	12856	11030	2938	3703	3903	15223	9469	10793	0	12725	3341	0	6939	4561	Lipid	0.33333334	1.7222222	0.055555556
18	C18 H31 O6 N1	358.2224	358.22287	0.03646595	358.2224	52897	51207	52469	49159	36239	36853	195721	60741	26998	17685	24115	35983	59823	65466	49429	70746	81477	54483	66067	37248	30124	30961	47318	65587	44756	51894	151386	30888	70560	66495	48946	54893	66404	56164	19513	85475	66693	38059	75133	16364	27508	55393	7153	338	325	26074	30994	515	72641	49814	48736	53181	49909	2014	50205	43116	30727	67226	24964	43717	67548	13017	45536	36361	57866	66845	58259	73184	16880	18974	23120	46058	48989	66031	72225	56866	329	34194	48381	41748	32699	25239	191703	126269	46332	43727	67049	44475	49874	67821	67496	53108	65851	23357	46841	1857	44360	58835	34351	39455	68734	88704	36098	50802	21476	53319	30370	0	45163	34363	Lipid	0.33333334	1.7222222	0.055555556
24	C18 H31 O6 N1	358.2224	358.2228	0.03502869	358.2224	21414	24180	26197	28208	35874	34278	52666	15485	30285	19581	9274	10803	52484	37402	20993	22348	14599	56984	71179	29920	20024	19531	15997	16886	19443	13019	28641	24441	31297	23441	15857	29524	31903	23690	24190	24541	40280	18026	14482	17235	12873	24119	3816	0	0	16088	13199	0	23700	16406	25352	22055	33304	0	47200	29350	16006	26046	25293	11933	27177	13508	38171	27137	22355	56885	50001	13964	8239	8782	10434	15931	24855	28083	17746	20710	0	16999	17044	17031	10824	10084	24681	30410	23400	24256	17259	16765	28088	14978	43506	44278	21292	12320	19832	0	23830	33065	24384	20943	22556	35994	12756	32006	22425	15135	23108	0	12396	35790	Lipid	0.33333334	1.7222222	0.055555556
8	C18 H31 O6 N1	358.2224	358.22293	-0.0594094	358.22238	19460	19726	15548	18851	6012	6235	16800	31998	5328	13980	6906	16055	8509	3111	16169	35121	20207	5864	10280	17707	13232	21268	15935	29695	18596	2733	18192	7949	28652	31497	26173	38575	36186	25477	19169	39048	42489	16680	22973	13237	11432	7539	0	0	0	13065	12768	0	45057	29357	21536	22283	7479	0	8515	2898	3932	34477	4768	8396	31554	6577	4098	6035	5911	8784	8634	29130	0	8633	5494	28405	32511	38594	23350	33647	0	19911	14493	7618	11625	6788	7572	6749	3088	4186	24396	6719	10124	31626	33028	33804	34637	6257	10523	0	22474	24402	3004	4237	3982	29611	16727	23095	0	21747	2750	0	17540	7488	Lipid	0.33333334	1.7222222	0.055555556
14	C22 H31 O3 N1	358.23767	358.2381	0.05363028	358.2377	2914	3259	1785	2043	0	1388	5722	8757	0	4755	4290	6038	0	0	3768	9765	3812	0	0	13510	11186	0	0	10397	4028	9924	13693	0	6187	13171	7238	13629	11207	4489	5942	10668	9788	3481	3617	2046	0	0	0	0	0	1723	0	0	9257	9779	2634	3773	1177	0	0	0	1077	13481	0	0	0	0	0	0	772	0	1564	13092	0	8868	6075	7366	8475	11031	8844	8018	0	6955	0	0	1732	0	0	2435	0	0	0	0	2787	10930	5253	0	10596	5047	13693	0	4079	7199	0	0	0	9704	6082	0	0	22644	0	0	2387	0	Lipid	0.13636364	1.4090909	0.045454547
10	C22 H31 O3 N1	358.23767	358.23816	-0.017321907	358.23767	11831	9361	9651	8468	0	1752	10801	27968	0	11764	11597	27331	0	0	12232	21967	16526	0	2498	22349	19488	0	8823	20649	9883	8569	19884	15678	20499	24421	21715	29564	30973	23057	14187	24126	33432	11500	10911	10736	0	4007	0	0	0	3421	5941	0	28543	20124	13362	9348	1619	0	0	0	2685	24085	0	0	18895	1733	1221	0	3070	0	2919	33207	0	8667	4888	23567	24728	28438	38188	25559	0	25374	5922	4927	6888	0	0	10394	0	631	3489	5293	5242	24589	9680	0	24435	4242	19508	0	9133	11733	0	0	0	30524	20538	4799	0	24867	0	0	7546	0	Lipid	0.13636364	1.4090909	0.045454547
16	C22 H31 O3 N1	358.23767	358.23825	0.20622961	358.23773	4260	2449	2828	3142	0	0	5380	5397	0	5188	14478	3672	0	1946	2898	2911	6642	0	0	4013	4427	0	3635	4476	0	5999	6143	35004	2533	0	0	0	2055	3111	1773	0	0	3322	1804	1417	0	0	13834	0	0	3899	0	0	2736	5484	6006	2505	0	0	0	0	0	4041	19239	31517	99049	1531	0	0	0	0	1892	2632	71368	4243	9133	1906	2421	3199	2371	2303	640	0	0	59093	0	0	0	1379	0	0	0	1037	0	0	3744	0	0	6392	1911	0	2814	5262	2186	0	0	4728	3737	9265	0	0	0	0	1765	0	Lipid	0.13636364	1.4090909	0.045454547
26	C22 H31 O3 N1	358.23767	358.23804	0.11557971	358.2377	7076	6371	7151	7177	8702	3744	5448	9256	2991	3813	12271	0	0	3088	0	10376	17022	6066	8511	0	4918	7193	0	9891	8195	28248	3842	10903	5694	8139	5173	7985	10977	8939	3177	11973	8315	4050	12839	5307	16588	0	0	0	0	0	0	0	8634	8487	7512	3415	7341	0	0	0	0	7511	2974	4764	9248	5663	0	0	0	6125	6293	14802	21510	9684	12337	4722	8892	8141	6388	10639	0	3593	8993	18563	5614	4799	6187	6949	6225	0	13270	4804	3677	33259	6736	7082	11269	12801	0	0	7741	7062	5061	4615	0	11203	3660	6154	0	10512	6315	0	8157	0	Lipid	0.13636364	1.4090909	0.045454547
8	C22 H31 O3 N1	358.23767	358.2382	-0.04917273	358.23764	14522	16069	12066	11585	0	1166	12338	31206	0	16238	11553	16732	0	0	12126	29443	26900	0	0	20899	17407	2455	12302	26389	11606	2767	19013	6827	27415	28570	23259	31300	28643	23913	13856	27999	29610	13528	25440	15485	0	4339	0	0	0	7853	10177	0	29602	27072	12461	13765	2156	0	0	0	1818	22360	0	0	18036	4881	0	0	1853	949	3484	38945	0	4700	1765	26280	28489	29265	29637	30174	0	13510	10397	8776	11125	0	0	18273	0	0	6195	6465	5847	28052	14971	0	25831	9255	17408	0	13785	13253	0	0	0	36502	12383	8749	0	34497	0	0	10023	0	Lipid	0.13636364	1.4090909	0.045454547
22	C22 H31 O3 N1	358.23767	358.23804	0.041938517	358.23767	6275	3247	5434	4363	4594	0	4548	5600	0	4292	7187	2969	0	0	2108	8238	12177	0	0	4071	3631	7711	0	3338	5393	15802	5422	5822	3491	4061	2471	5338	4673	4461	3780	5418	5613	2350	10607	3637	11741	2802	0	0	0	1552	6340	0	5202	3705	7158	5925	0	0	2192	3311	2431	3926	0	6625	5875	1009	0	0	2228	3269	1781	14786	10518	8338	13181	4430	4638	3386	8275	8274	0	3395	7512	4649	3089	2669	1594	5067	0	1616	9535	1912	2346	74794	6655	6076	27408	4446	4950	0	4638	4321	1281	5356	4295	5247	3327	6276	0	14283	1657	0	4337	0	Lipid	0.13636364	1.4090909	0.045454547
24	C22 H31 O3 N1	358.23767	358.2381	0.08509019	358.2377	7774	8189	10407	8604	7053	3875	4812	6375	2078	4048	7518	4930	3651	6589	4494	14411	15607	3568	2661	5842	7230	8787	4856	10568	7347	25803	4707	8146	8504	13447	7059	11053	8756	14019	3881	14862	10760	3474	14729	6299	12291	3455	0	0	0	6488	7134	0	11784	8602	6207	8390	4273	0	1792	5069	3146	12053	4164	7646	10798	3320	2188	2064	2431	5701	5307	20346	15675	9509	21073	6920	15397	12946	15669	15875	0	4292	20385	16826	4778	3910	5310	7755	5780	4362	20754	4207	3528	58758	9695	11489	17976	13907	7626	0	8962	10202	6410	5552	7797	10629	5449	9875	4154	13669	4671	0	13749	3102	Lipid	0.13636364	1.4090909	0.045454547
12	C22 H31 O3 N1	358.23767	358.23813	-0.027000783	358.23767	6834	4810	8009	4905	0	1876	6756	11937	0	6007	4413	21147	0	2020	8227	17916	19410	0	0	18765	12786	0	5318	10187	9790	12265	7869	8792	12053	14150	12221	15130	18619	10763	10083	13460	13262	10391	5222	6306	0	2438	0	0	0	1472	0	0	19632	15128	5763	8334	1014	0	0	0	1207	12809	0	0	0	4385	0	0	2149	0	1794	26071	0	13470	8288	12043	13734	17684	8398	16680	0	42065	1150	0	3129	0	0	5989	1047	937	2164	3356	4449	20117	9110	0	19001	3930	10759	0	6783	7413	1202	0	1914	17576	28020	0	0	17760	976	0	3229	0	Lipid	0.13636364	1.4090909	0.045454547
2	C19 H35 O5 N1	358.2588	358.2595	0.00685393	358.2588	8066	6960	6844	6627	0	0	5272	15431	0	1858	1346	6039	0	0	4296	19758	17033	866	1912	2338	2343	5744	6647	15598	4399	0	7893	827	11332	9002	7433	9575	8792	11988	2670	9692	9298	2891	15953	1487	1737	5315	0	0	0	4093	1906	0	14376	10863	8455	7229	3291	0	0	0	1449	12484	273	1125	14460	337	0	0	0	1434	6621	22580	0	466	662	11266	9507	6034	16409	8886	0	5109	9932	3022	9323	0	2328	1049	0	1148	10453	4335	4329	21099	3947	1997	15820	1483	3433	0	7438	7273	0	0	0	7529	4172	8987	749	9324	0	0	8618	0	Lipid	0.2631579	1.8421053	0.05263158
16	C19 H35 O5 N1	358.2588	358.25912	0.03576306	358.25882	0	0	2738	0	0	0	1593	1676	0	0	0	0	0	0	0	2877	2774	0	0	0	0	0	0	0	0	0	0	0	2239	2070	0	0	1794	0	0	1478	0	0	2551	0	0	0	0	0	0	0	0	0	4768	1886	0	0	0	277	0	0	0	0	0	0	0	0	0	0	0	0	0	1842	0	0	0	1803	0	1328	0	1307	0	987	0	0	0	0	0	0	0	0	1797	0	1319	0	21521	2436	0	0	0	0	0	0	0	0	0	4795	0	0	0	0	0	0	0	0	Lipid	0.2631579	1.8421053	0.05263158
22	C19 H35 O5 N1	358.2588	358.25922	0.07123262	358.25882	9363	11502	7078	7022	2554	13407	65758	7709	15564	9606	3429	3541	5847	28189	7920	6139	8533	10845	2015	2893	0	8710	1095	1875	8811	3821	55403	8193	6465	9857	4947	10404	8153	5796	15681	6668	4557	7650	7553	4194	4453	45357	8721	0	437	5146	5267	6364	15616	15989	7750	8760	3602	3922	5365	2526	5098	7642	7470	7505	8150	1696	12199	3944	8825	17301	19960	8063	1595	1995	0	6385	5192	6491	8146	8745	0	2695	11106	14441	2442	5142	28774	32072	1488	5310	3278	6734	4804	5563	18641	12677	7251	8532	8244	0	10163	6584	4525	1766	4766	10626	3610	4574	6694	53642	5370	0	2749	15352	Lipid	0.2631579	1.8421053	0.05263158
4	C19 H35 O5 N1	358.2588	358.25943	0.020092642	358.25882	6850	7291	7537	7179	0	1183	9538	15696	0	2639	0	7740	0	0	3687	14998	20910	875	2395	3103	2916	5424	5677	14766	4199	0	12205	0	10887	12589	9072	12745	13325	12243	4301	15527	14105	3934	22437	840	1193	4880	0	0	0	3076	901	0	16788	14763	6950	5619	2758	0	0	0	1282	13104	0	0	12811	0	0	197	0	2022	4262	24133	0	0	0	14112	15742	14844	22491	12596	0	6573	10602	0	9588	603	777	665	0	1044	9550	3816	3697	11668	4224	2403	10085	1022	1555	0	7428	8106	0	0	0	10965	6178	6175	0	8647	0	0	10347	0	Lipid	0.2631579	1.8421053	0.05263158
24	C19 H35 O5 N1	358.2588	358.25922	0.07535513	358.25882	20708	14974	15580	16345	20125	31763	96091	13963	12468	24468	10301	6544	14885	39239	7776	12653	14174	11742	15226	9252	8920	11511	2581	8785	9764	5176	70881	23677	17147	17943	7788	21421	27294	16110	19060	12774	13057	5158	17479	10698	7708	22497	18339	0	0	14086	10834	0	36722	32565	18138	16288	6997	13908	9951	6906	5308	17953	16639	18417	18497	4533	17741	7729	25562	37992	30554	15103	0	2622	5999	17449	11991	13089	8220	30049	0	9144	5805	42545	4123	12564	32438	26956	4663	0	7497	14539	11191	10651	78802	56870	19883	14025	18398	0	14851	17494	11815	9295	11746	17589	4341	13654	27082	40219	10686	0	6569	37396	Lipid	0.2631579	1.8421053	0.05263158
16	C18 H35 O4 N3	358.27002	358.27005	0.21331719	358.2701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1537	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9984	0	0	0	0	0	0	0	0	0	0	97434	28318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22222222	1.9444444	0.16666667
12	C18 H35 O4 N3	358.27002	358.27057	0.12043057	358.27008	16599	17995	20775	15646	0	22650	0	1697	0	0	6174	0	1179	0	0	1702	0	2720	0	0	0	0	0	0	3980	0	0	210477	1793	0	1136	0	6073	1543	0	0	0	0	0	0	0	7158	0	0	0	0	0	0	0	0	20684	12257	0	262	0	0	0	0	0	0	0	0	0	0	785	0	0	0	0	0	0	0	0	0	0	0	0	0	1839	823037	0	0	0	0	0	916	1510	0	0	5668	1302761	735466	2495	82343	5231	0	16056	14887	0	0	0	0	1060	0	0	2534	0	0	3038	0	Peptide	0.22222222	1.9444444	0.16666667
6	C18 H35 O4 N3	358.27002	358.27054	0.001987934	358.27002	1271	1614	2257	2990	0	492	0	0	0	0	0	2210	0	502	0	28463	0	2030	0	0	0	0	0	18369	0	1490	0	0	2484	12527	3381	2315	0	0	0	0	0	0	0	1094	0	1680	0	0	0	0	0	0	16531	0	1840	1193	3259	0	0	0	0	22309	0	0	29259	0	0	0	1652	787	4133	0	0	13737	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1536	685	0	2565	0	0	1346	0	0	0	1737	1514	0	0	0	0	0	2496	0	705	0	0	0	0	Peptide	0.22222222	1.9444444	0.16666667
10	C18 H35 O4 N3	358.27002	358.27042	-0.060201295	358.27002	7877	10143	10144	9869	0	7006	0	0	0	0	6301	0	0	0	0	3319	0	1219	0	0	0	0	0	0	1483	0	0	290319	0	0	0	0	1883	1323	0	0	0	0	0	0	0	2519	0	0	0	0	0	0	0	0	9905	10599	0	0	0	0	0	1691	0	0	0	0	0	0	0	1623	0	0	0	0	0	0	0	0	0	0	0	0	0	1617404	0	0	0	0	0	0	1182	1831	0	1181	682462	142475	0	82684	6135	0	10180	10309	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22222222	1.9444444	0.16666667
18	C23 H35 O2 N1	358.27405	358.2745	0.01338767	358.27405	2353	2789	1573	2794	0	0	0	9610	0	0	1893	7197	0	0	3109	7781	0	0	0	0	0	0	3680	8057	2335	0	3554	0	13290	20411	14198	16830	8684	13518	0	18215	10697	5757	0	0	0	1239	0	0	0	0	0	0	12082	3576	2051	0	0	0	0	0	0	5228	0	0	9371	0	0	0	0	0	0	6588	0	0	0	14392	13988	20136	10473	14387	0	10108	0	0	0	0	0	0	0	0	0	0	1775	4233	0	0	4941	0	1688	0	3046	2730	0	0	0	13794	7979	0	0	6293	0	0	0	0	Lipid	0.08695652	1.5217391	0.04347826
20	C23 H35 O2 N1	358.27405	358.2745	0.04407689	358.27408	2833	1472	4600	0	0	0	0	9970	0	0	3689	6229	0	0	5464	7109	0	0	0	2427	0	0	2897	7879	4393	0	3347	2461	11483	19640	12712	8435	8383	14785	0	19250	8883	3904	0	0	0	0	0	0	0	0	0	0	7610	22539	1852	1938	0	0	0	0	0	4762	0	0	6029	0	0	0	0	0	0	1992	0	0	0	11375	16392	22311	9393	15112	0	9850	0	0	0	0	0	7117	0	0	0	0	0	8444	0	0	2548	0	2787	0	0	1554	0	0	0	15601	3670	0	3514	7268	0	0	0	0	Lipid	0.08695652	1.5217391	0.04347826
26	C20 H39 O4 N1	358.2952	358.29526	0.29859447	358.2953	0	0	0	0	0	0	34543	0	0	0	3167	0	0	18946	0	0	0	0	0	0	0	0	0	0	0	0	23080	6557	0	0	0	0	2102	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2963	0	19713	1665	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3746	4874	0	0	0	0	0	0	1570	1807	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3330	Lipid	0.2	1.95	0.05
24	C17 H10 O9	359.03976	359.04022	0.12693556	359.0398	2641	5429	2588	2855	12200	5833	0	0	11192	2578	0	1964	16985	8975	4030	1311	1344	14237	8433	0	1472	1845	6265	1782	2501	0	1532	0	0	0	1825	0	1661	0	0	0	0	2554	2829	0	0	2572	0	0	0	0	1238	0	0	1239	5910	3205	10403	0	12497	7060	3227	2249	0	1126	1353	0	22279	12903	3759	15127	3016	0	0	0	0	0	0	0	0	0	0	1004	10512	2314	12879	0	0	0	15553	6640	7682	7681	6223	2909	0	0	2513	1146	1599	0	4727	2668	6984	10287	13144	1310	1339	0	0	2119	6808	0	5928	24394	Phytochemical	0.5294118	0.5882353	0.0
26	C17 H10 O9	359.03976	359.0401	0.19193581	359.03983	4952	4834	3402	5503	12530	6334	2224	0	13017	0	0	0	21419	10464	0	0	0	18567	17932	0	0	3124	5091	0	0	0	2473	0	0	0	3172	0	2528	0	1729	0	2148	4063	2148	0	0	0	0	0	0	0	0	0	0	0	3672	3932	6614	0	13138	8736	4435	2439	0	0	0	0	22033	12229	4192	15968	3741	0	0	0	0	0	0	0	0	0	0	0	11425	0	11950	0	0	0	21679	9791	9201	5414	3159	2758	0	0	0	2710	0	0	3885	0	3883	19189	14705	0	0	0	0	1877	8868	0	3114	25009	Phytochemical	0.5294118	0.5882353	0.0
20	C17 H10 O9	359.03976	359.0402	0.1429785	359.0398	5659	3369	2234	3076	18041	5065	1707	0	15690	0	1471	2384	30032	15865	3432	0	2393	21318	20774	0	1865	5508	3235	2033	0	0	2943	0	0	0	2456	0	1684	0	1963	1474	0	2495	1765	0	0	4117	646	0	523	0	0	1755	0	0	3707	3171	13143	0	20028	13143	8219	2061	0	1183	2952	0	35047	19593	8048	21232	7132	0	0	0	0	0	0	0	0	0	389	1887	10585	2337	9852	2019	0	0	25514	13039	9077	8006	7553	2934	0	0	0	7058	5100	483	2794	3105	10442	20663	21386	2379	1897	0	1889	1699	12598	0	0	26824	Phytochemical	0.5294118	0.5882353	0.0
28	C17 H10 O9	359.03976	359.0402	0.21179812	359.03983	5875	6719	5162	6294	15062	5873	3984	0	11785	1490	0	2916	20024	9389	4890	4222	0	21218	21889	0	0	4284	6216	3450	2983	0	3382	0	0	0	2359	967	3482	0	1910	0	3283	3067	1832	0	1155	2217	0	0	0	0	2597	1557	1360	0	4306	5745	10525	0	16284	10839	4112	1788	1189	1257	2232	1034	25517	14207	4363	16725	4925	2494	0	0	0	0	0	0	0	0	0	2385	13124	0	13501	0	1256	0	22400	8410	9862	4304	5109	4665	1290	1688	4365	3047	2924	0	7116	5519	7060	13651	17919	4599	2295	0	0	2089	10594	0	3527	26588	Phytochemical	0.5294118	0.5882353	0.0
18	C17 H10 O9	359.03976	359.04028	0.19012919	359.03983	6141	8052	5011	6646	21978	9768	2411	0	20571	2885	1439	1535	39917	15126	3577	1937	2404	28543	17773	2525	0	8769	5091	1452	2278	0	2457	0	0	0	0	0	2294	0	3240	0	3054	4936	0	0	2415	6237	512	0	302	0	1602	903	1598	0	6554	6778	14164	396	18914	18854	11102	2838	0	3291	2128	2264	40087	24094	10407	24997	9530	2143	0	0	0	0	0	0	1229	0	0	3055	13097	5972	8288	1978	0	0	30674	15511	12936	11740	10620	3677	0	0	3274	13921	7002	478	5181	5515	14161	29126	32346	4111	2141	0	1930	2958	16040	0	1600	37310	Phytochemical	0.5294118	0.5882353	0.0
22	C17 H10 O9	359.03976	359.04025	0.12651764	359.0398	2521	3364	3032	0	17604	7690	1279	0	12940	0	0	1213	16436	8144	4029	0	0	15828	12628	0	0	1426	2583	1443	3968	0	2138	0	0	0	6661	0	1476	0	0	1375	0	1904	0	0	0	2653	0	0	446	0	1926	0	0	0	5353	3043	7586	0	10097	9119	4798	0	0	0	0	0	25853	10684	5344	13714	5463	1318	0	0	0	0	0	0	1180	0	434	1497	8770	3809	8371	2440	0	0	16418	9042	4149	4453	6025	0	0	0	1771	4973	2627	0	2772	2408	7240	18032	18801	0	1069	0	0	1571	9883	0	2964	20225	Phytochemical	0.5294118	0.5882353	0.0
12	C17 H10 O9	359.03976	359.04037	0.19831063	359.03983	2590	3015	4126	3773	7324	3385	0	0	13292	1447	2330	2159	13780	2228	0	0	0	7509	13216	1945	3646	9898	1623	0	0	0	0	0	0	0	0	0	0	0	3220	0	1815	0	0	0	0	1979	0	0	0	0	0	0	0	0	2401	2244	3742	0	9318	9201	3552	0	0	0	0	0	21080	11171	3426	10789	3130	0	0	0	0	0	0	0	0	0	0	0	2325	0	2094	0	0	0	10946	2315	0	3327	2872	0	0	0	0	11490	4919	0	2614	0	9029	15119	13347	0	1297	0	0	0	7538	0	0	18823	Phytochemical	0.5294118	0.5882353	0.0
16	C17 H10 O9	359.03976	359.04028	0.18998894	359.03983	5189	6775	6391	8862	23355	13729	1614	0	22258	4171	1853	4668	39325	14740	4007	1623	2493	29822	29008	2162	4506	12563	8885	3378	1326	0	2466	0	0	1502	1727	0	3943	0	4839	0	1972	5818	2241	2006	0	10942	380	0	399	2491	2234	865	0	1560	7896	6382	15929	0	20169	24445	11424	4519	1380	1617	0	0	47942	30476	9334	30977	11128	1974	0	1471	0	2168	0	0	2239	0	0	2449	14484	14490	8820	2592	0	0	26967	10359	13605	10673	12109	0	0	4507	0	18840	13082	0	5986	4770	17589	33004	36848	5290	2709	0	0	0	19900	0	4098	41382	Phytochemical	0.5294118	0.5882353	0.0
14	C17 H10 O9	359.03976	359.04037	0.1868537	359.03983	9037	7564	5153	3401	18468	9948	0	0	22400	7158	3250	2072	30059	5093	2527	2481	0	21398	22432	0	3407	19316	3559	0	0	0	1497	0	0	0	0	0	1736	0	10235	0	1935	4087	1647	0	4264	5289	0	0	0	1516	0	0	0	0	5876	4357	11577	0	15999	19141	9123	0	0	0	0	1469	36038	25453	8383	29460	4123	2697	0	0	0	0	0	0	1958	0	0	926	9292	0	7116	3699	0	0	23919	7033	7767	8933	10324	0	0	2316	0	15576	8937	0	7991	3156	11872	29339	21357	3549	1944	0	0	2165	17377	0	0	31287	Phytochemical	0.5294118	0.5882353	0.0
14	C14 H14 O11	359.06088	359.06152	0.28012323	359.06097	4226	3047	0	0	10046	4346	0	0	14701	0	0	0	25040	2940	1434	0	0	9526	7894	0	0	0	7978	0	0	0	0	0	0	0	0	0	1412	0	0	0	1631	1265	0	1573	0	2396	0	0	0	0	0	0	0	0	3107	2039	3526	0	12015	9878	2332	0	0	0	0	0	23641	19688	2967	8187	3255	0	0	0	0	0	0	0	0	0	0	0	1493	0	2570	0	0	0	7643	2420	2097	3077	3413	0	0	0	4348	3569	0	0	2532	0	4295	13439	8247	0	1046	0	0	2174	7119	0	0	33732	Phytochemical	0.78571427	1.0	0.0
8	C14 H14 O11	359.06088	359.06152	0.13989192	359.06094	2577	3150	1914	3766	12012	3575	0	0	11438	0	946	1508	22418	2686	0	1084	0	7434	9046	0	1224	1317	1341	912	0	0	0	0	0	0	0	0	1300	0	1159	0	1130	0	0	0	1058	4189	0	0	0	0	0	0	0	0	2058	2883	5349	0	11267	15915	5490	0	0	0	0	0	28606	16002	3877	12631	2060	0	0	0	0	0	0	0	0	0	0	684	1806	0	0	0	0	0	11723	0	0	5129	3587	0	0	0	0	2464	0	0	2362	3093	8886	23885	18995	1110	0	0	0	1041	8348	0	0	25289	Phytochemical	0.78571427	1.0	0.0
12	C14 H14 O11	359.06088	359.06143	0.14969355	359.06094	4082	2073	4124	2573	15920	5210	0	0	18141	0	0	0	33267	3226	0	0	0	15097	17062	0	0	0	5753	0	0	0	0	0	0	0	0	0	2361	0	1416	0	1601	0	0	0	0	6733	0	0	0	0	0	0	0	0	2170	1675	7024	0	23221	18886	6200	0	0	0	0	0	43191	25919	4941	21138	4806	0	0	0	0	0	0	0	0	0	0	0	2983	0	1052	0	0	0	10753	2356	1338	5406	4529	0	0	3191	2251	0	0	0	3437	4243	13243	22875	14766	2129	0	0	0	2473	12465	0	0	45138	Phytochemical	0.78571427	1.0	0.0
24	C18 H14 O8	359.07614	359.07654	0.12657447	359.0762	9487	10580	10632	10510	22731	11397	3007	0	24477	18402	5906	4314	33810	11420	6360	4367	2682	25590	30964	5890	11991	26183	10870	4731	4016	7823	3104	3659	1735	0	2410	1708	3881	1087	25435	1267	3763	2012	2905	8466	10587	4275	0	0	0	10292	11072	2012	2074	1554	12061	10807	16406	0	24876	23949	9624	2650	2932	3677	5386	7459	41949	23549	8087	29752	9275	5186	8888	14286	16463	832	0	0	0	1569	0	3336	20053	17744	15997	10370	5118	4671	35407	14131	13613	6199	6577	4774	5621	3143	5419	33116	34940	0	11151	10451	15038	27240	25620	5163	2428	4751	8737	2840	18352	0	5218	46832	Phytochemical	0.44444445	0.7777778	0.0
26	C18 H14 O8	359.07614	359.07657	0.21252893	359.07623	9735	9359	6042	9112	17103	8472	1775	0	16625	13856	3540	0	27421	10439	0	0	0	28394	20369	7408	9674	17968	5162	0	0	7433	2624	3197	0	0	2419	0	3111	0	18229	0	3722	2602	2662	6038	8165	0	0	0	0	8385	9195	0	0	0	8253	8043	9247	0	22364	13009	6084	3212	0	0	0	6228	27429	15257	3299	17416	4642	4804	5346	7604	11568	0	0	0	0	0	0	2826	11834	11944	10609	3565	0	3766	22746	11392	10126	5025	6635	2652	2950	4380	0	16331	28528	0	7359	6670	7350	18167	20112	0	0	0	7011	3398	8951	0	4067	29256	Phytochemical	0.44444445	0.7777778	0.0
8	C18 H14 O8	359.07614	359.07678	0.15111275	359.0762	12564	11143	8377	8711	13088	6613	3471	4928	16983	21923	21328	4875	16111	4758	2993	6929	5443	11843	15042	14987	18724	16418	7979	6177	2244	6826	3388	5202	1838	2831	2853	2873	5900	2717	32827	1855	5431	4709	6032	8506	16940	4366	0	0	0	6265	15235	0	5027	5933	9151	13263	8463	0	16084	15425	7464	5023	2261	6730	4629	7913	25830	17092	5524	14755	7041	8701	14818	9498	26184	2927	2989	1701	3678	3262	259	3669	10106	7451	8597	6128	1764	4180	15590	6734	6295	5563	6959	9533	0	0	6831	16150	13398	0	11553	7862	14965	18241	20435	4583	5454	6183	0	5470	13560	0	3448	20741	Phytochemical	0.44444445	0.7777778	0.0
16	C15 H18 O8 S1	359.07953	359.08005	0.15737908	359.07956	11335	10752	10834	10885	12123	15254	2797	2237	14142	28700	12632	3218	23702	4582	3419	2264	0	20193	12006	19533	12154	20751	4121	3586	3354	6355	1866	6072	2354	0	2188	0	4741	0	31629	1780	9379	2408	3024	25520	9571	4715	0	0	0	4637	5467	0	1528	1230	8010	6449	7612	0	12918	10398	3863	4539	7354	2941	0	15527	10802	12330	2171	12918	6123	3127	7945	11314	10366	0	1398	1485	3839	2656	0	2991	3761	7252	1311	3286	5774	10732	8160	5134	4674	3530	7203	0	15370	27459	0	16766	30839	0	7226	7527	7097	5584	7371	3888	3024	9652	4879	0	8915	0	2847	18184	Organosulfur	0.53333336	1.2	0.0
8	C17 H14 O7 N2	359.08737	359.088	0.17642991	359.08743	10404	12189	6219	10707	12088	5153	3096	3215	13780	23335	15197	4308	43460	3220	3939	5469	5329	10279	14522	11728	26721	23607	4581	5463	2236	6811	1923	3773	1418	1514	2898	1740	6085	2440	27290	1923	7487	4046	7489	16935	26597	4758	0	0	0	8256	18161	0	3740	3659	8505	11334	8301	0	16423	12281	7207	6901	2682	6709	5376	12826	27600	16356	5397	18268	6465	8658	20008	12792	32715	2793	1774	1441	4194	3536	0	2555	8446	13889	6338	8732	2359	5829	15868	5403	7242	6335	6419	13311	0	11902	13863	19674	17176	0	9939	7760	10513	17823	14913	6821	3889	4045	0	7034	8987	0	3869	20171	Phytochemical	0.4117647	0.8235294	0.11764706
20	C17 H14 O7 N2	359.08737	359.08786	0.16057333	359.08743	5517	7646	9266	4385	5321	4834	4849	2365	5608	7546	8052	3866	7965	3740	2614	5177	4661	7045	8797	6186	7465	21251	3910	7992	2551	3606	4175	4194	1599	3658	2823	1404	4448	1720	8057	3246	6556	3918	8343	13165	21735	5942	0	0	290	9450	15072	0	4738	0	9065	7838	6622	0	2144	3219	6327	6475	3213	9398	4464	8979	10120	5573	4028	6803	7628	13940	5006	3896	10834	1534	1153	0	2109	1557	0	2148	5771	21371	4880	9576	4252	7639	6277	4343	8097	6542	4052	8787	8575	8570	10516	29254	24272	0	6595	7778	5380	6424	5265	4361	2756	7281	7621	6049	5037	0	4574	11820	Phytochemical	0.4117647	0.8235294	0.11764706
8	C14 H18 O7 N2 S1	359.09076	359.09143	0.06443336	359.09076	12128	12816	9426	11814	12409	7276	4784	6128	10132	7050	5621	6982	13634	3284	5932	17439	9410	13236	14213	10435	7280	21940	8356	13066	4326	2076	4352	3566	6302	5998	10487	7260	9452	7874	14919	5598	13274	6732	13904	11778	15562	7894	0	0	0	8116	15962	0	10408	3798	10308	11546	9512	0	14768	4553	5875	7172	9912	9974	12966	5204	11174	11018	0	12147	8562	13340	0	3709	5528	9084	3566	3412	11220	5274	0	5222	8304	9616	6988	5446	7190	0	7693	0	6666	12233	8107	12412	0	22250	26176	9524	8508	0	11048	11276	3616	7121	4624	14648	7652	10662	0	12096	9300	0	5764	21254	Peptide	0.5	1.2857143	0.14285715
18	C15 H18 O10	359.09726	359.09784	0.26282042	359.09738	10311	4118	6687	7255	13425	11304	3477	4975	16888	8486	5587	4072	24774	2948	7977	5451	3120	15837	20527	4322	5730	6257	10837	4296	3293	0	3389	3294	5620	3781	7980	7116	9469	0	0	4113	8193	10225	5696	4052	6013	6571	588	0	346	5348	5397	0	4759	3822	10964	8743	11313	303	30136	13743	6525	4751	7321	5626	6009	6827	28867	23517	8081	13704	7219	4544	6959	4574	0	4544	4458	5066	2614	0	0	7156	6662	4579	5830	3052	1912	2448	12280	7448	5946	8049	8040	3846	7896	6680	3692	6750	3361	0	11358	8500	12166	10033	7557	9617	6698	2832	3534	5172	8819	0	3376	22181	Phytochemical	0.6666667	1.2	0.0
18	C18 H18 O4 N2 S1	359.10602	359.10675	0.6716707	359.10623	1204299	1211037	1079346	1042503	1041753	747240	468831	637998	994137	2760651	1763295	397704	1598439	690507	643425	721689	451622	1564398	1499286	2629440	2286243	1516995	702420	775512	538992	3007928	411060	1466811	560160	486747	501345	592320	677052	553413	2953524	472893	808485	510324	462447	1720236	1398927	543450	45477	9864	11664	1097985	1035762	15744	635016	510126	1039332	1098309	831501	14256	1223976	900927	614091	741183	639459	461163	661756	1159433	1616256	981222	522591	1261368	785721	520703	2627724	3569378	3617682	602394	444270	428196	413112	534702	9807	460899	971613	938370	803493	907199	494148	1213245	1140747	690798	809088	613830	675618	671608	933966	1002468	872568	1136535	1759296	19503	1126527	976317	959046	1024329	899082	667455	443298	739127	670104	640449	792966	11808	578904	1377078	Organosulfur	0.22222222	1.0	0.11111111
8	C14 H18 O9 N2	359.10852	359.10913	0.11594488	359.10855	15107	13529	11995	16778	14887	13746	14778	17979	19234	5523	10056	19484	29831	11070	13467	15602	78582	27320	27707	5716	9763	19235	16835	15390	4971	3131	16489	0	10040	10118	13984	15047	20498	12510	11397	12159	22812	17647	69610	5511	9408	21706	0	0	0	7286	9004	0	13141	13003	13675	16749	16546	0	27537	14286	11238	13356	8027	11272	16622	6487	37628	31431	13739	23348	20269	81352	0	2685	0	11160	11782	10849	29554	9148	0	11388	18408	0	16839	5696	5671	1152	18344	8634	22689	24582	23379	28057	0	13501	28738	7921	3910	0	15996	16193	12624	15219	13329	27448	13890	10218	0	18414	14665	0	11470	43384	Unclassified	0.64285713	1.2857143	0.14285715
10	C14 H18 O9 N2	359.10852	359.10907	0.11350914	359.10855	14080	13676	9869	12571	12236	7997	3992	10540	18137	3630	8302	12382	19781	5868	12919	14521	17723	15136	17561	3864	8010	11376	12217	10247	3112	0	5001	0	8318	7426	7874	8955	16902	8128	7958	9904	14681	9306	16389	6426	9767	14590	0	0	0	5629	8440	0	8547	11565	11643	9096	13195	0	28022	12069	9216	14303	8955	13217	9816	3787	22583	23952	9510	17332	13666	22419	0	0	0	10401	7658	8420	8353	8399	0	8418	7056	0	6988	4290	4308	0	12333	10415	7646	15743	12736	19914	6018	8595	21506	6130	3275	0	13308	12193	10688	11948	10567	15923	12841	10630	0	20693	10937	0	5337	31203	Unclassified	0.64285713	1.2857143	0.14285715
6	C14 H18 O9 N2	359.10852	359.10913	0.11517058	359.10855	25363	24389	18621	25734	20106	15195	12178	23146	26736	20924	21125	20127	28319	10447	15128	28124	26362	29654	29566	22120	29687	28847	20627	26296	9924	15947	13569	7532	17207	19760	18722	20298	25390	18183	26739	22037	26309	13529	31639	15487	24770	20848	2040	918	1340	16205	25884	1167	18539	20122	22060	24838	18833	1249	29077	18957	17145	22435	18261	20549	22638	12132	38439	27846	15033	26680	23425	34124	19900	20014	30430	19483	21913	19608	19495	18813	1303	13909	19151	3660	18315	12175	10898	5788	23879	17713	19019	27836	24650	33257	3606	17978	36342	16000	13002	1774	22293	23252	17536	22054	22330	30615	19218	20262	8347	28757	17871	1010	11945	42669	Unclassified	0.64285713	1.2857143	0.14285715
2	C14 H18 O9 N2	359.10852	359.1092	0.09013257	359.10855	6402	6038	7078	6240	10140	0	2504	7316	9046	3350	2836	6760	21746	3466	2646	0	3338	13878	15558	2240	4384	8482	5272	5928	1094	0	0	0	8800	3304	7056	7280	11312	6404	4184	5398	7380	2720	4006	2878	0	8230	0	0	0	3718	1080	0	6756	3680	7734	6322	10932	0	13150	6086	3654	7734	1194	1696	1862	844	30354	13632	0	15390	8116	3808	0	656	0	7703	8142	3576	0	5080	0	5044	2708	0	2536	0	988	0	6762	2720	3198	11576	10528	5000	3094	2684	10838	0	0	0	6754	6066	3276	5688	5966	6654	3546	3654	1214	13902	4416	0	2124	31814	Unclassified	0.64285713	1.2857143	0.14285715
20	C16 H22 O7 S1	359.1159	359.11633	0.08335052	359.11594	11548	14685	10286	13057	7778	12400	7230	12358	5553	12685	6360	8662	12335	6570	7110	16665	17703	9855	9931	14119	8180	9753	4837	14762	10661	7920	5928	8134	16791	10096	12302	14544	17587	15395	19509	15898	17306	6620	18996	14183	5636	10304	543	0	0	9779	5935	0	11796	6980	9602	8926	17530	247	8997	7045	5423	21089	14831	5269	14548	13260	5968	8353	4986	9052	10009	16681	4960	7006	5953	8429	9254	6531	24679	5958	0	6172	6397	5447	4656	2879	7512	7951	7986	18048	11642	6988	12630	17938	21752	35039	14085	8303	12032	0	12601	15575	6286	5458	4432	18340	7437	13404	7301	12852	5638	0	9499	11578	Organosulfur	0.4375	1.375	0.0
18	C16 H22 O7 S1	359.1159	359.11636	0.17906457	359.11597	14739	12551	18340	15768	11403	14484	10015	9593	12109	21449	9956	5531	19466	6009	4987	13339	8438	22631	17849	18658	16175	26247	18488	13801	11923	7065	6540	11176	10592	5706	15142	9858	17712	7979	24136	5839	13479	5711	11079	21350	13415	12352	0	0	0	12460	7945	0	8780	7236	14081	16094	14825	350	32108	11119	8048	17512	18940	19514	10792	20450	9631	27608	7876	15689	25106	24008	17638	10201	13504	7352	5940	5606	21930	7022	0	8848	7772	5921	6211	8684	10283	12948	14545	10271	13493	9552	9960	15249	34787	42661	16384	10342	26115	0	13815	13434	9104	6567	7019	21106	5910	16856	8400	9472	10045	0	19872	18720	Organosulfur	0.4375	1.375	0.0
4	C18 H18 O6 N2	359.12375	359.12442	0.057296384	359.12378	8928	8824	9869	9625	7302	6383	3664	5733	8864	17476	13628	5587	13972	5664	6264	7036	9595	10559	11646	16086	23099	15928	7457	8500	3308	16955	3866	9628	3863	5411	4893	3766	6954	3783	21756	6153	6753	5433	13204	13262	22531	4864	0	0	0	11800	22226	0	5914	5210	7803	7677	5742	0	11729	8827	3685	8364	3787	7177	7232	12072	12846	8448	3821	11142	4787	10800	29345	24338	34453	5064	3777	3615	1481	4341	0	4583	8378	11934	6422	9211	4235	7681	10584	5500	7417	7147	5537	10995	3439	8707	13892	12431	18958	0	8064	10939	8879	11017	10033	6678	3988	8805	8695	7531	6592	0	4050	12749	Phytochemical	0.33333334	1.0	0.11111111
8	C16 H22 O9	359.13367	359.1342	0.024731996	359.13367	62580	78526	55714	68656	24051	21497	43120	45448	38547	33334	58508	52484	88976	10568	32706	45170	37020	38798	46046	35314	69766	66850	81962	80722	29310	12438	25349	15253	68954	66216	63106	80348	38496	35140	77400	70152	83352	56554	80088	25844	48656	26158	558	0	0	29871	55068	0	46316	69684	75272	38189	27697	0	62600	30779	42650	34155	85432	63532	43536	20531	42672	45502	17180	37623	26787	37942	13024	11488	12014	79872	68482	82982	24662	72384	0	27944	72360	15241	55156	19230	20989	11586	67848	21173	62356	51372	29664	31234	19129	30580	45810	45636	23338	0	35208	36837	24837	32977	33066	92962	48500	91076	15229	55928	31454	0	22280	91116	Lipid	0.5625	1.375	0.0
6	C16 H22 O9	359.13367	359.1343	0.060339283	359.13367	56807	64894	88384	49572	71426	57848	66054	153034	47084	47286	41306	83198	93904	17672	116552	121668	70780	124944	66722	94492	40348	92332	101768	128424	31355	14130	77188	18056	117216	68261	124048	61716	132816	108704	111326	123194	129708	98454	68290	28944	7530	100368	0	0	0	42528	54692	0	69728	126052	108358	57252	39706	0	83636	108584	68536	111608	105528	64498	58836	21424	119246	135264	62240	86408	83656	139816	13206	4971	5288	55988	53783	70070	128178	57024	0	42644	106246	0	39732	31268	68580	4187	93792	43264	88416	68842	48254	17453	0	34776	153047	43892	45302	0	113612	96342	63762	88260	68600	147000	50504	57792	44052	106000	106600	0	32440	145386	Lipid	0.5625	1.375	0.0
2	C15 H22 O8 N2	359.1449	359.14557	0.04445811	359.1449	17097	18689	17797	16801	18197	27485	5365	23096	19315	6959	6749	15269	33490	8996	10825	3626	13001	30780	25311	8870	12561	21520	13144	16336	5102	0	0	2956	22075	12904	23084	19163	33276	21131	11666	16660	28420	8783	16085	7711	4928	18803	0	0	0	7427	5210	0	21327	13138	18219	15033	20908	0	22284	10402	7523	22632	8220	6820	6229	2939	37315	24050	7450	29266	20611	17899	0	3146	1391	21163	18728	14868	940	14680	0	13232	9548	0	6216	2750	4775	1263	13361	7192	9972	22666	22643	21857	16957	20408	36088	4941	2111	0	14087	16242	7603	14295	12448	18327	11902	10842	3966	29482	10411	0	6508	47913	Peptide	0.53333336	1.4666667	0.13333334
18	C24 H22 O1 S1	359.14642	359.14697	0.26186693	359.1465	7687	9058	9706	6871	4477	8174	3503	5634	9001	2987	6099	8370	7285	6729	3136	11566	7187	5503	4585	0	0	4253	7631	6394	6947	4754	7362	4591	0	8446	7170	5956	4388	0	2592	0	6350	6394	7430	2507	5618	7117	1364	0	0	3105	4217	0	13188	9981	9971	0	4749	441	4302	3965	4294	11158	5607	0	9101	8127	5832	5210	5192	8862	8848	9509	11216	0	5873	5166	8416	4823	25867	6685	0	7050	5573	3200	2979	5911	5458	3390	6900	4552	5351	4667	4843	3770	4175	10915	7693	3570	5561	0	11183	1745	5097	4086	4204	8323	6934	5688	2639	4975	6963	0	5972	4209	Organosulfur	0.041666668	0.9166667	0.0
8	C20 H22 O6	359.14893	359.14948	-0.005874857	359.14893	42599	42882	26947	38561	15489	14237	35011	46792	24063	39543	26821	31629	18985	17448	27547	38525	41093	21451	25258	105144	81596	44911	38448	45632	23382	88854	31917	30564	37442	41602	37046	40833	35887	24772	49057	41330	33414	30500	42797	41803	90762	18407	5185	2786	3929	37824	54795	4331	39854	41793	36936	37209	17261	3279	28735	21548	21034	39470	28156	44996	37561	29473	23738	21958	19387	19736	15672	45938	56667	102704	133238	33538	33534	38568	28207	46979	2825	25162	46293	23281	38136	35913	40207	34025	23472	14340	35835	14586	22311	44181	25089	32499	45289	25392	32301	4455	40384	37944	24163	27169	23473	34990	32888	46231	21172	30338	19261	2555	34363	21959	Phytochemical	0.3	1.1	0.0
6	C20 H22 O6	359.14893	359.1495	-0.028085032	359.1489	19050	13197	9916	12959	7604	7008	8647	17056	9407	10669	10325	10314	7512	7875	12952	13394	14077	7216	10277	15745	29974	14538	14246	14027	10570	24158	9927	7406	14567	17940	15129	13240	12567	11321	17205	17102	10811	12627	16679	11029	31572	10559	4078	2634	3825	14766	16934	3480	16157	14384	10398	13166	6676	2919	9020	9164	7472	14771	11769	14661	12114	8396	9168	5957	5177	6058	6767	17389	17677	14180	21108	13139	12458	15381	7434	17229	3357	10809	11165	8193	12463	15577	13356	11017	7611	9609	13331	6685	9531	14959	7251	12060	14775	11211	13647	3975	14017	12215	8372	10029	12641	11751	13969	13141	11321	10766	6101	3028	11745	7926	Phytochemical	0.3	1.1	0.0
2	C19 H22 O5 N2	359.16016	359.1608	-0.036480956	359.16013	9320	10106	10667	10236	5629	0	9274	13961	5746	15654	11875	10440	7877	4717	10016	5846	15172	7300	8284	15799	26241	14394	11376	10877	6216	14311	3471	11367	12683	8133	11832	10469	12361	9964	20705	11568	12986	9536	16811	13793	20504	6971	0	0	0	8718	14835	0	11434	9252	9636	10561	6145	0	9150	3979	4005	10795	3541	8349	6868	11037	7459	7543	4011	9350	7907	16571	15129	19526	23968	11661	10742	10128	5724	9400	0	8897	12057	11147	10128	8079	7178	9978	3828	3692	11083	7549	7484	19374	8464	11211	19140	11866	8766	0	11068	11759	4801	5372	4283	10283	8660	11107	7896	11638	2803	0	9398	6684	Phytochemical	0.2631579	1.1578947	0.10526316
16	C19 H22 O5 N2	359.16016	359.1606	0.00114512	359.16016	54109	57162	61741	54652	31512	29806	40152	59457	25552	82564	55225	36671	19100	24109	38425	78816	61759	39495	49471	113906	102312	93881	42806	78911	47407	79129	38795	57756	48258	44223	50797	59055	62562	46539	84153	49224	68255	36075	64209	98101	115919	31405	937	0	0	63294	58490	0	62784	51052	69347	55584	32737	0	27632	19552	22857	69307	35401	47993	65561	58547	25405	26531	16479	35119	35176	63359	71597	124087	136235	55834	45579	51232	48835	44538	0	32726	50416	69790	39556	38613	42565	66604	22620	19900	57357	42311	34141	87915	80286	80100	116824	68611	100376	0	56426	60964	20082	17875	18859	78752	29714	51082	31890	72157	26157	0	57406	27617	Phytochemical	0.2631579	1.1578947	0.10526316
6	C19 H22 O5 N2	359.16016	359.16074	0.013470566	359.16016	110215	112406	105213	104264	26564	33416	43965	71645	24975	135600	80011	35034	26906	18163	50738	69444	35544	27998	43715	140187	139995	89716	41148	67680	38271	99964	40606	167607	67517	56297	65320	63379	74450	58233	138743	61250	69691	44895	53302	85117	86336	29193	0	0	0	73796	79469	0	73840	58032	107744	96802	31969	0	29200	15689	19991	62477	25872	26891	58366	56419	24478	23397	18890	26969	34829	54965	81702	165464	149369	57172	55560	55632	39101	53645	0	36188	43486	91019	38028	29509	31090	63003	19137	28097	36795	36097	34971	68114	3188969	2508085	78565	105584	163492	0	120623	99743	16091	16062	19097	69794	37186	76120	35947	55388	15036	0	40530	25989	Phytochemical	0.2631579	1.1578947	0.10526316
4	C19 H22 O5 N2	359.16016	359.1608	0.00668686	359.16016	21003	22294	21593	20722	9209	11133	11205	22164	9953	40308	18912	11985	12962	11194	16986	21649	20380	14205	16410	42947	51608	28300	17466	25902	13207	44525	13564	21745	17047	15699	16396	17199	18048	14598	49180	19619	20866	15348	28472	36301	39118	11234	0	0	0	28091	35268	0	18646	20951	19292	18934	11477	0	15807	6987	7880	20775	6577	14143	20474	25422	11342	11679	6053	14014	11483	27676	39363	53494	57353	18897	14187	15830	17051	14906	0	13425	19240	23328	16048	13997	12504	20485	11006	8663	15973	11186	11212	24295	29439	21249	34290	26548	41322	0	18541	23868	7764	9574	8886	21222	13660	29317	16879	19359	7376	0	15332	12603	Phytochemical	0.2631579	1.1578947	0.10526316
12	C19 H22 O5 N2	359.16016	359.16064	-0.017453006	359.16016	67943	74777	68451	67110	34508	33315	56479	75715	28166	109294	83368	38366	26745	20668	45694	71100	76154	37593	47725	146778	163026	108125	51011	87855	50098	139167	43059	71659	66724	48948	68970	63518	86350	60354	144632	59320	75028	47842	81569	145503	153409	40091	438	0	0	99217	96088	0	72923	58733	69792	62831	40159	0	33598	20256	26624	82496	33579	63436	48154	81567	29941	28059	21609	38217	37763	85098	123141	196175	210286	63346	52836	46507	51274	55108	0	43573	62303	67072	51635	50997	48024	93257	23249	23682	70685	41331	41714	121242	86757	75396	112257	82940	107780	0	69908	88552	26787	16543	20153	76596	38218	63681	51403	73780	23213	0	58760	40287	Phytochemical	0.2631579	1.1578947	0.10526316
10	C19 H22 O5 N2	359.16016	359.16064	-0.032844067	359.16013	76754	69048	79865	64941	31936	28697	44805	67407	30827	154701	85142	38492	32827	23790	37978	67862	70260	38568	50331	175073	198273	97901	50554	81980	47704	158358	41446	87911	55007	52583	53418	64436	78128	49586	159508	57353	75588	41791	78811	151537	151136	34672	525	0	0	91792	96921	0	71104	55436	68385	72151	34706	0	33129	21302	19123	74541	24729	51072	65974	79257	23759	28411	20470	37383	35382	85916	127099	207692	204945	61649	46671	50147	51097	53350	0	37568	57182	77203	45637	42352	35822	86678	24761	22096	58577	36888	37595	100437	90328	72776	109594	84568	138267	0	72814	72132	24554	21042	21836	70598	38542	86143	29414	69536	18178	0	47850	35778	Phytochemical	0.2631579	1.1578947	0.10526316
14	C19 H22 O5 N2	359.16016	359.16064	-0.010829878	359.16016	71062	70328	68388	74151	37962	35791	55871	75065	25532	101033	74384	40377	29717	26041	51972	77699	64097	41033	43687	118057	133780	98440	50451	87722	63879	116629	51222	68313	63875	59791	56002	71146	89707	55360	112967	55537	76523	47188	73035	120453	142561	41253	0	0	0	81454	90411	0	70142	61955	66847	62967	37830	296	26324	22217	27283	72723	47632	70217	64644	81686	32045	25847	28045	43226	39833	74993	99496	171751	162187	65280	52146	50480	59382	56893	0	48900	63743	66176	53286	50994	48465	80856	20469	19739	64796	41850	46999	125370	100664	81623	136528	81748	113789	0	66410	70576	24669	23926	27568	80573	39560	87051	37648	77203	24209	0	61859	35315	Phytochemical	0.2631579	1.1578947	0.10526316
8	C19 H22 O5 N2	359.16016	359.1607	-0.008799649	359.16016	66425	75682	59094	71241	27610	32726	37766	63722	29721	149454	83518	34599	27228	20569	42101	70491	52396	34577	46702	186034	179262	102726	46265	76626	40358	132405	33512	82081	52524	50142	59803	64709	66171	53309	174136	50956	68744	35406	60656	140338	124719	33697	820	0	0	82986	100827	0	71162	54080	64181	71476	32319	0	33416	19609	21909	63939	16646	41804	59065	66671	33631	29343	16129	34498	31605	67554	117180	209030	194447	60052	48744	41532	41813	51758	0	36143	49414	73981	38714	33007	24691	90348	21324	20328	49666	43428	35796	88591	115818	75773	95988	79958	139704	0	71505	67234	21969	25718	22296	60671	30715	81804	30481	60516	19283	0	43011	33947	Phytochemical	0.2631579	1.1578947	0.10526316
18	C19 H22 O5 N2	359.16016	359.16058	0.027656483	359.16016	42333	39798	44029	28772	30463	20930	26827	35418	17155	53602	40676	21454	12278	19856	23417	44860	33453	25169	29520	70961	52480	56516	29549	53722	32964	55834	25650	39993	30090	24957	26540	36215	48909	36618	47433	32538	52128	26325	45366	69176	69110	21087	839	0	0	46494	32033	0	42750	27227	43471	39113	24183	263	22740	12353	15390	42231	25386	32590	47490	39964	16528	20167	12822	31834	28826	41583	46338	61479	94338	35025	24766	20425	25600	27398	0	18157	38617	42927	27980	23832	37322	41523	15114	14170	40580	33370	28107	56797	54572	59975	70906	37309	62121	0	43710	37465	8557	18523	17264	46985	19163	42295	22932	46210	17142	0	34527	23368	Phytochemical	0.2631579	1.1578947	0.10526316
16	C17 H26 O8	359.17004	359.1705	0.011612506	359.17004	67794	58832	61891	55690	48704	56563	58256	67752	63296	61290	23372	31418	94547	40168	66179	57463	28871	87182	107581	70047	51732	41655	56613	63866	61117	9661	40102	33635	90419	79593	67991	75681	115612	68954	65443	94112	113868	47143	27597	41127	9746	48187	2081	781	418	33569	13980	692	90764	59419	60247	53182	57736	0	113013	58893	36664	75516	65152	10354	67398	25957	79294	67792	29226	81309	63297	30067	7130	24300	0	71207	78177	86588	43227	78848	0	47842	42302	22388	30906	19702	58874	26258	51720	47234	50081	44404	55374	0	52395	81588	72502	21939	30152	792	58988	63727	38216	47128	53470	101319	42580	67578	18106	66645	48344	455	36740	91492	Lipid	0.47058824	1.5294118	0.0
22	C17 H26 O8	359.17004	359.1705	0.12786284	359.1701	6016	4570	7374	8411	4945	6762	4090	4944	6276	5173	0	2256	9810	0	5181	3152	0	10902	9569	3850	3920	2379	2877	4603	5210	0	4649	56862	8067	4792	7188	5031	10268	9289	6968	5291	7332	4465	2275	3497	1813	2877	0	0	917	3478	1561	0	5948	5646	5740	5131	3909	1112	13354	3251	2310	4316	2028	3161	3463	2571	5497	7479	4423	9455	5585	2674	0	0	1953	5218	3942	5724	1947	4259	1033	3961	3096	0	3100	0	2443	2547	4276	4930	2976	3394	4153	2619	11601	13682	4980	2240	2820	0	3101	3304	2927	2026	0	5855	3932	4669	3664	3141	2356	0	2438	7086	Lipid	0.47058824	1.5294118	0.0
14	C17 H26 O8	359.17004	359.17053	0.013465782	359.17004	48504	40286	40064	47777	29613	43872	47515	65841	40558	26799	16044	27186	53856	28829	53375	43830	29936	56511	65144	54853	34526	30566	44310	50677	50405	9385	31953	20839	96318	61070	46698	62338	72650	48946	39033	65543	79578	42876	32009	19131	13507	41382	0	0	472	30866	8598	585	77994	37458	36243	44022	32751	0	72296	42403	25022	47514	53023	20233	56410	19077	51803	53690	28308	42814	46398	28755	0	25240	0	48718	41837	63325	29615	55294	348	39926	38225	15673	34526	22191	43278	23590	40975	27074	43129	24938	39330	18895	44088	46653	73586	16171	21163	1500	41559	51645	28171	39746	44616	65006	34830	69872	20452	43433	36503	807	34398	51807	Lipid	0.47058824	1.5294118	0.0
20	C17 H26 O8	359.17004	359.17047	0.07160234	359.17007	20109	22887	27551	27045	30651	36132	18575	28299	44470	30447	8298	10912	74123	21375	28084	17251	4996	62658	62846	24796	18085	22954	23493	17370	24355	0	13655	16357	35021	33607	26171	32386	52951	25294	34088	25224	39070	17649	10348	20547	0	25783	2304	845	678	8293	0	0	32630	17742	26941	23220	29683	1057	109294	31139	15869	27348	34933	7157	20687	9146	43341	52572	12015	35843	29363	7725	0	12799	0	26432	27085	37429	6453	24624	989	22242	13433	10008	7468	5002	18203	0	16600	21943	14401	15655	27543	3410	36658	51989	26036	10451	13574	0	26893	30489	19037	13268	20113	40096	18710	25564	7669	15127	26769	798	10389	68050	Lipid	0.47058824	1.5294118	0.0
4	C16 H26 O7 N2	359.18127	359.18192	0.005052304	359.18127	14941	14032	13519	12755	10559	14558	7014	16963	14662	4624	2520	7988	21498	6522	12891	15474	12384	16882	21025	8026	6298	16487	12679	13012	10413	715	7593	0	12970	13523	12950	14700	19813	14617	11011	14380	20356	9567	15996	5495	3518	14239	0	0	0	7351	3947	0	15753	12734	13120	13666	12345	0	20337	8725	7308	16337	9427	4657	14575	2735	18633	12870	5872	14448	12151	12787	0	2086	0	16805	10541	15503	3959	8994	0	10192	9147	5333	6215	4010	5949	1560	13752	10600	10636	9958	15516	12631	19460	24821	22484	3741	5265	0	14261	14931	11812	11253	11040	20533	8311	12464	4040	14486	12793	0	6764	26818	Lipid	0.4375	1.625	0.125
8	C16 H26 O7 N2	359.18127	359.18182	0.024942119	359.18127	14565	16643	14572	16665	9566	65027	13879	15932	10096	7423	5014	9565	18033	4312	16204	24052	15765	13774	16753	6864	6526	23112	15791	22501	12717	0	10833	5679	20867	18652	13017	28815	22343	18062	12101	19677	23246	12955	17072	2731	5638	9623	0	0	0	6617	6104	0	22181	12928	13960	18158	9734	0	13799	5516	4637	22531	9212	4594	17649	3504	13693	11854	5698	15850	10441	15957	0	2882	0	14457	15478	16444	25630	14378	0	9549	12552	5307	11264	5057	8702	2471	8197	6118	17447	11213	12034	29555	37174	37576	40915	5895	6462	0	13179	18074	5728	5362	6563	20560	8299	17919	0	20752	7886	0	14279	18378	Lipid	0.4375	1.625	0.125
20	C25 H26 S1	359.1828	359.18338	0.02215005	359.1828	3510	3513	3590	0	1853	2033	0	2927	0	2051	4096	2330	4600	3548	2707	0	0	0	2141	0	0	0	3661	2994	1755	0	0	0	5034	4170	3533	2371	1622	0	0	0	1927	1364	3916	2155	3286	0	859	0	0	0	0	0	0	0	3366	0	2579	0	4627	0	1893	0	2324	1395	0	2153	5200	2390	4954	3980	1918	2513	2111	0	3223	2617	4093	2020	10348	3163	0	0	0	0	0	1239	2027	0	5203	4320	6902	1623	3128	2715	0	6727	3547	2016	3418	0	4259	2417	0	0	1757	3997	0	27571	1593	0	4641	0	4526	5231	Organosulfur	0.0	1.04	0.0
12	C21 H26 O5	359.1853	359.18582	-0.009528381	359.1853	77462	86513	80045	86204	31121	27477	74688	74626	37853	53860	60541	54494	27216	24011	57456	102850	101619	38767	51858	82907	67889	87298	61018	85501	54928	71411	94417	41941	65220	83156	64487	73078	67210	48951	55086	69769	64416	62872	100044	53930	84095	39046	5361	2669	2993	60986	80217	3763	82324	83157	75916	96313	36779	2016	49664	45441	40274	83850	55095	75021	87562	36213	47621	36676	27315	35323	34689	99059	65623	79353	80992	45203	54207	74746	105352	81492	2410	43080	77392	32599	73975	45577	62729	36891	57694	33427	78802	28993	37642	139202	63213	75364	93036	44671	74296	4312	76190	80080	42223	55025	56828	90093	48072	83098	54727	69055	45515	3122	67039	40509	Phytochemical	0.23809524	1.2380953	0.0
10	C21 H26 O5	359.1853	359.18582	-0.019085275	359.1853	24645	23968	16982	21003	11906	11370	20276	29702	16042	18923	13558	18055	10720	10751	20757	29746	24218	11168	16733	26119	22688	25276	21196	25717	18153	22997	29780	15274	27262	25447	21044	20938	23073	16054	21395	24421	20359	22028	30555	22560	21516	14514	4509	3039	3565	23680	21288	4234	21791	26695	23360	22884	10896	2540	17614	15794	12174	30211	22007	23490	34407	11548	11686	13000	11533	8316	8820	35254	22389	24392	24793	19367	20368	23605	29544	28915	3586	19995	25567	15230	26836	18849	27525	12029	15820	13058	26745	7221	13651	34423	16321	20303	30239	15457	19907	4077	21197	21828	11125	17319	19489	21463	19170	28057	16142	19379	14228	3338	24744	9922	Phytochemical	0.23809524	1.2380953	0.0
16	C18 H30 O5 S1	359.18866	359.1891	1.077089	359.18906	45342	35420	39065	43824	38497	35656	39252	53697	41721	37413	24263	29668	69314	22554	43035	63673	81966	77230	76015	64618	63235	37178	50627	64192	41284	46345	55768	23996	53650	47677	43943	0	58206	44072	38938	61091	50911	28457	36008	0	29902	44619	1359	0	0	45313	31902	0	48697	46492	45273	41705	34558	0	63662	0	25426	56482	35142	22416	60536	23159	49601	39517	21129	43458	41809	33643	41525	96142	38853	44542	49112	49289	42409	43296	0	36904	40144	29120	66088	21595	40626	28954	47442	35051	37775	0	40765	35632	235546	211879	59354	21260	38835	0	39937	51816	29122	32276	44870	67630	25931	58749	20390	0	37482	0	32824	44870	Organosulfur	0.2777778	1.6666666	0.0
2	C15 H26 O6 N4	359.1925	359.19315	-0.072888814	359.19247	7256	6539	7940	5951	2810	0	2813	5946	2378	1510	8342	4707	5005	1427	5217	3226	5374	3774	4128	689	1442	5750	4449	4473	3403	0	0	79554	5393	3823	5113	4968	7489	4107	1711	4245	5405	4764	6495	630	742	5443	0	0	0	1392	1034	0	4142	2381	7692	5621	2247	0	3884	1300	1769	6506	1113	898	2811	0	2692	2669	2994	4733	3054	7047	0	550	0	4955	4729	4702	1656	2588	0	3252	4634	191895	3776	0	1213	0	1927	2332	5059	3355	2737	10111	121012	47382	9534	17363	0	0	5820	6272	3030	1985	2976	3489	3567	1675	0	5997	2610	0	3770	3921	Peptide	0.4	1.7333333	0.26666668
6	C15 H26 O6 N4	359.1925	359.19302	0.06855375	359.19254	1302	1134	845	1262	0	2600	925	1061	0	0	1818	593	0	0	895	0	1007	1450	1334	0	0	1207	858	2323	1122	0	885	5678	1398	665	0	1459	1783	1488	0	1009	1243	1121	1578	0	0	472	0	0	0	0	0	0	0	0	1795	1774	469	0	0	412	0	1174	0	0	0	0	0	0	0	673	0	0	0	0	0	790	705	873	0	730	0	688	1850	6696	1084	656	0	0	0	0	1644	0	603	1425	20441	5981	2346	2236	994	0	0	1354	0	423	0	1687	655	0	0	1838	0	0	1009	1419	Peptide	0.4	1.7333333	0.26666668
0	C15 H26 O6 N4	359.1925	359.19318	-0.11235893	359.19247	3589	4364	5033	4453	3967	20953	0	6947	7520	0	1594	3133	5577	0	4319	0	2940	8484	7141	0	1115	3453	3213	4232	2094	0	0	16018	9934	2179	4223	4446	10721	5571	1392	4005	7404	2554	4422	0	0	4824	0	0	0	1536	0	0	5502	2486	4123	3725	3805	0	3990	2028	1581	6870	1157	0	0	0	5665	3642	3940	6652	6702	3721	0	0	0	3781	3924	4155	0	3479	0	3408	1905	56589	1818	0	0	0	2709	3244	3083	4268	4715	5053	37278	13702	9498	7139	0	0	3433	4882	3638	1439	2661	3596	2475	0	0	5652	4040	0	2314	6515	Peptide	0.4	1.7333333	0.26666668
16	C20 H26 O4 N2	359.19653	359.197	-0.024757575	359.19653	13392	19786	14585	16648	1645	4125	9157	13533	3121	12981	14958	4951	0	4202	6805	14853	19772	4773	4343	26407	22216	16238	8710	20593	8583	28664	7030	13377	12760	11910	10581	14650	21729	11379	21684	13378	18752	6503	15444	22339	29150	10150	0	0	0	13216	15452	0	17240	11476	16037	9456	5345	0	2148	1623	3599	22123	3746	15933	11822	11673	1872	2514	2730	3879	5728	20941	18113	29143	30996	13648	9691	9868	16179	16542	0	6942	9673	9886	5668	6570	8384	19225	2120	2983	14387	8172	5381	27711	18887	11706	0	13725	19136	0	12570	13062	2887	1177	3456	20082	6397	12918	5796	16570	1761	0	8230	4132	Phytochemical	0.2	1.3	0.1
24	C20 H26 O4 N2	359.19653	359.1968	0.004468533	359.19653	2896	2912	1244	0	0	0	0	0	0	1198	0	0	0	0	1308	0	11136	0	0	0	0	0	0	1767	0	0	1171	2985	9999	2351	0	13152	1703	11505	1484	5810	2775	0	10134	2250	1909	0	0	0	0	0	0	0	15387	0	1527	2186	878	0	0	0	0	2135	848	0	0	0	0	0	0	0	2459	19835	0	0	0	789	2797	1289	36700	3175	0	0	0	0	0	0	0	1078	0	0	0	0	26973	0	0	0	0	0	0	0	2378	1590	0	0	0	1402	723	1837	0	0	0	0	1045	0	Phytochemical	0.2	1.3	0.1
8	C20 H26 O4 N2	359.19653	359.19708	0.01831268	359.19653	16162	17904	14909	15997	4339	8275	11704	21354	2670	25107	14837	11031	3578	3640	12968	20671	18645	5007	9000	37280	35470	18711	11657	27902	14429	20210	10795	14727	20645	17596	16127	23988	21176	16252	31651	17888	20852	10160	22721	23454	17205	12043	0	0	0	16830	18233	0	24645	17960	17200	15128	9468	0	4945	2167	3740	19188	0	3870	17407	9965	3307	3415	4307	4782	8206	23482	13549	28563	25991	18498	19769	15387	21152	16538	0	11254	12859	17490	10718	2712	2255	17652	3076	0	12995	9867	8627	31616	35606	8270	28161	17363	36360	0	15863	17613	4661	2037	0	19653	8669	20171	0	18449	2224	0	10524	3267	Phytochemical	0.2	1.3	0.1
6	C20 H26 O4 N2	359.19653	359.1971	0.001102803	359.19653	13430	14295	12201	16355	3429	6596	9164	21338	3454	31421	13762	9612	2660	3823	11146	24052	14044	3678	8583	30398	33934	18176	12673	24314	13607	20711	10636	14986	20162	17273	15952	18957	19996	18944	26793	17764	20360	11308	17205	21563	14985	8153	0	0	0	14605	18639	0	25071	18009	15438	15991	5327	0	4062	1161	3375	22483	0	2803	23478	10896	4059	4029	2597	5701	8645	20523	12677	29257	22845	18423	15439	17888	15089	14652	0	11175	8447	14813	9217	2998	3068	17340	1165	2807	10415	10039	6274	33326	22552	10389	34832	15723	31508	0	14424	12360	2708	1452	1437	21085	10604	17074	0	16567	1508	0	12107	3438	Phytochemical	0.2	1.3	0.1
12	C20 H26 O4 N2	359.19653	359.19702	-0.031126196	359.19653	16109	12753	17617	12371	2911	7883	13154	28062	5232	23195	16577	10199	2435	5138	13379	24394	16690	6672	8251	36520	37357	14415	12771	22143	22520	38105	15973	19819	23616	23376	23185	28940	27695	27957	27384	23970	24410	12796	15343	24990	16387	12162	0	0	0	13451	12693	0	28150	27787	13158	16197	7239	0	2660	1031	3691	23072	0	0	19566	9698	2462	3574	3542	4152	12710	27036	20340	48189	42104	22709	23156	23644	16046	21566	0	14272	9586	0	10218	4110	3249	20454	1287	2812	14401	9704	11384	24365	21424	9834	35101	13477	27773	0	11595	14855	2311	2197	0	27744	12739	13018	0	24565	2882	0	9045	3007	Phytochemical	0.2	1.3	0.1
14	C20 H26 O4 N2	359.19653	359.197	0.017374134	359.19653	10966	13549	13152	12973	3260	4902	10145	14269	1801	12554	15276	6131	0	3830	6547	13209	11932	2379	5014	35922	37125	8313	7111	16680	12825	32995	7189	17549	15045	12348	14344	15060	22373	13273	24026	16376	17842	8916	19475	25231	24556	7864	0	0	0	16514	15480	0	15382	12154	10826	11819	5224	0	2183	1909	3030	14297	0	6204	0	7920	2132	2612	2680	3285	5355	19648	18184	33722	38750	13091	14559	13446	13766	13953	0	10192	9034	0	7227	4477	5694	16074	1680	3351	9181	9576	7565	26167	19118	8655	22460	9126	19106	0	8876	11972	2064	1734	3117	12140	8529	12613	0	21356	2214	0	8554	2044	Phytochemical	0.2	1.3	0.1
18	C20 H26 O4 N2	359.19653	359.19696	-0.014378951	359.19653	16532	11400	12790	11707	3361	5088	7684	16503	2402	13249	16727	8059	3302	5830	7742	15018	14768	6402	7641	23148	21051	24153	6205	24582	9852	24636	10581	18952	14826	12095	10645	13678	15031	17016	13586	15216	21089	6877	21157	22148	35918	6352	0	0	0	17339	20625	0	21877	13958	12499	12254	8082	0	2226	1208	3940	17301	8239	16269	13614	13439	3745	3197	2700	5417	9427	22175	25711	23101	36765	13802	12043	8018	15147	12336	0	6931	8748	16335	8858	9975	9368	17744	2520	2869	12543	12038	7730	34112	26804	26450	20936	13453	32390	0	13785	13976	2110	2230	2841	15886	6376	17281	10280	17300	1412	0	9731	3566	Phytochemical	0.2	1.3	0.1
24	C23 H27 O2 Na1	359.19815	359.19852	0.5944582	359.19836	1076	0	0	1925	0	1501	0	0	0	0	0	0	0	2186	0	0	0	0	0	0	0	0	0	0	0	0	1345	1371	0	0	0	0	0	0	0	0	0	0	0	0	0	4965	0	0	0	0	0	0	0	0	1440	0	0	0	0	0	5795	0	0	0	0	0	0	0	16435	1702	1372	0	0	0	0	791	0	0	0	0	0	0	0	0	0	0	0	0	4950	67823	0	24302	2385	0	5491	44585	0	0	0	0	0	0	1417	0	6642	0	0	0	0	0	9966	0	0	0	Phytochemical	0.08695652	1.173913	0.0
18	C18 H30 O7	359.20642	359.20685	-0.023814764	359.20642	4172	2850	3863	7052	7329	3284	15761	4620	1331	0	2771	2517	6245	7716	4429	8735	3267	2035	5200	0	0	4447	3807	4608	6701	1307	10885	3238	11080	11283	9938	9691	5982	7661	0	7919	9153	3167	4383	0	1835	6037	4782	785	511	1315	0	0	11248	8065	6440	5357	4520	705	3965	2620	3594	5382	2082	3833	4753	1265	1883	2281	7619	5115	13311	5589	0	0	0	6859	8164	5908	3895	6101	0	3432	3763	3168	1738	1681	32680	17291	4887	3162	3469	2578	4897	4701	8751	5409	6548	1924	0	606	2493	5896	2567	2016	4612	5896	2723	1818	3160	5737	2257	0	3532	3619	Lipid	0.3888889	1.6666666	0.0
16	C18 H30 O7	359.20642	359.2068	0.019856708	359.20645	0	3867	4233	3857	3948	3044	14578	5348	2188	0	0	2756	2163	4363	3839	5008	7759	3500	2486	0	0	0	3081	3573	0	0	9346	0	7432	5502	6069	6240	5014	4741	0	7497	6797	2534	4419	0	0	5134	1051	384	295	0	2365	536	7552	4034	3642	4537	3037	435	0	1096	2052	5911	0	2457	0	0	0	2147	4439	5293	9129	5358	0	0	0	4244	8246	8327	8809	3037	0	3928	3479	5411	1552	4876	25482	11652	2275	2712	3839	1413	2387	0	5199	3004	0	1456	0	686	4902	3788	1883	2736	6628	8206	3147	1796	0	0	2437	331	2903	0	Lipid	0.3888889	1.6666666	0.0
20	C18 H30 O7	359.20642	359.20682	0.012997748	359.20642	5608	4971	3362	5025	7979	3622	17467	4784	5775	0	3577	2402	10155	10489	6375	4149	3526	7386	10403	4413	2746	3782	2780	3108	8843	3205	10886	6458	12913	8758	6644	11936	10960	6170	4248	10468	11396	4116	3804	1569	0	6637	2372	0	0	0	0	0	9908	3552	7835	6968	7001	413	5069	3728	5751	4699	3971	0	3976	1264	5380	3452	5302	9105	15403	4249	0	0	0	7670	9055	13309	4552	7541	315	3312	3739	6919	2406	2096	29436	15320	4559	3772	2784	5191	5282	0	20460	11539	3707	0	4220	0	4748	4114	4455	6560	6178	10066	3214	3920	4825	3907	4212	0	3486	5928	Lipid	0.3888889	1.6666666	0.0
18	C17 H30 O6 N2	359.21765	359.21783	-0.32238123	359.21756	0	0	2203	0	0	0	0	0	0	0	0	0	0	934	0	2103	0	0	0	0	0	0	2345	3430	2115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1032	272	0	0	450	0	0	0	0	0	439	0	0	0	2881	0	0	0	0	0	0	0	0	0	1553	0	0	0	0	0	0	0	0	408	0	10528	3942	4700	0	0	0	0	0	21812	0	0	16416	5086	3947	6908	0	0	704	0	0	0	0	0	2956	0	0	1777	2072	0	595	6878	0	Lipid	0.3529412	1.7647059	0.11764706
16	C22 H30 O4	359.22168	359.22214	0.013864475	359.22168	24921	26982	30787	33474	22048	13300	43943	35354	23660	18030	17432	21714	16204	17542	25936	34149	69944	18999	29882	20418	24486	24614	21583	25058	22522	24305	41429	17253	23848	26951	28024	34279	28289	17276	19044	31172	29477	28019	75000	12056	20298	21551	1816	533	656	11738	21127	918	32668	29141	32345	38784	20089	519	22907	31098	22378	42356	16409	32313	29383	10807	17548	17419	19221	17567	21996	72097	18610	22888	34156	12629	20070	32357	52695	32698	377	18791	46921	21995	32036	19372	33366	18364	41984	23575	60872	14471	20905	79802	31270	24997	0	18022	15819	832	26160	32186	23440	47774	53277	32521	18955	26497	9901	26498	29026	518	35923	14679	Lipid	0.18181819	1.3636364	0.0
18	C22 H30 O4	359.22168	359.22214	0.025376381	359.2217	95907	102248	92559	89537	80894	49637	108657	100338	58980	67252	74255	70351	68732	65239	81732	127489	208312	60347	100572	85551	96738	73704	68793	91541	80566	117435	122440	67233	105703	91051	78219	104588	118473	68273	67865	113151	91456	77407	235412	51775	99636	71680	3015	735	730	40772	67829	1126	106859	92026	94398	86880	75530	688	75167	103838	70466	129492	55864	95959	94194	43193	74841	67734	65593	75823	76978	259058	96891	99007	167468	46948	65429	99260	176551	108584	592	53008	129218	83943	94773	46079	81810	62648	124317	95151	161140	68289	79169	202121	98335	92907	124056	65491	70038	1245	99022	105663	66026	131339	143687	115758	66642	92052	32046	75716	84570	875	98069	61200	Lipid	0.18181819	1.3636364	0.0
14	C22 H30 O4	359.22168	359.22214	-0.017651368	359.22168	6023	10472	7828	7754	5572	2405	12730	5605	5814	3961	6578	6228	1974	4089	8349	8242	19733	2178	4291	4210	3128	0	6267	9347	9250	4456	15549	0	5729	7341	8537	7553	9303	3166	2491	9399	6045	7924	25732	2665	5623	1848	0	424	451	2618	6385	877	9400	8848	10571	7685	3329	237	8140	8474	6291	11266	0	8658	0	1754	2578	4681	4885	2857	4267	22555	0	2220	5642	2338	3029	5357	12592	6375	455	5606	17004	0	9700	3188	11085	3669	8820	7235	18983	1945	4323	19774	6879	8970	14514	0	5322	621	7657	6492	5992	13739	13242	6629	6407	5337	0	3154	8578	586	12541	2642	Lipid	0.18181819	1.3636364	0.0
10	C16 H30 O5 N4	359.22888	359.22928	0.25094682	359.22897	1813	0	1064	1082	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3612	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1592	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41714	0	0	0	0	0	0	0	0	0	0	165401	26837	0	9362	0	0	0	1186	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3125	1.875	0.25
0	C16 H30 O5 N4	359.22888	359.22946	-0.102548316	359.22885	3764	6136	3023	6292	1039	0	0	5752	727	4264	5149	2495	0	3805	0	0	7249	1844	2314	0	0	2404	2918	4147	0	0	0	29718	6197	0	5619	3237	4639	8400	912	4287	3466	1379	5124	0	0	1999	0	0	0	0	0	0	3337	2922	5210	4703	1636	0	0	0	0	13919	0	0	1973	0	0	1221	2217	4562	3339	11563	0	0	0	3149	3808	2147	0	0	0	2865	2667	61165	1606	0	0	0	830	1826	6556	2113	5635	8489	94637	61196	6879	5483	0	0	3485	6477	808	387	1266	0	1687	0	0	11985	939	0	1679	2611	Peptide	0.3125	1.875	0.25
8	C16 H30 O5 N4	359.22888	359.2293	0.028440677	359.2289	6831	6386	7746	8957	0	8492	0	0	0	0	5875	0	0	0	0	4129	0	3464	873	0	0	1057	0	0	1030	0	1070	82285	0	0	0	886	2649	0	0	0	0	0	1159	0	0	980	0	0	0	0	0	0	0	0	5888	6386	0	0	0	0	0	2045	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1078	0	0	0	0	0	0	507354	0	0	0	0	0	0	1550	1093	0	1438	506852	141245	0	41688	4029	0	6450	5828	2688	0	0	0	1139	0	0	0	0	0	884	0	Peptide	0.3125	1.875	0.25
6	C16 H30 O5 N4	359.22888	359.22943	0.008803185	359.2289	18367	16616	19015	17924	0	8305	0	1615	795	1665	11632	0	0	0	2061	5567	2287	3163	0	0	0	0	686	1495	20251	0	1502	142861	0	1261	1172	0	1603	780	0	679	1332	1512	3812	0	0	1723	0	0	0	0	0	0	1260	0	17054	17093	0	0	1558	0	0	4295	0	0	2175	0	0	0	0	0	1223	1774	0	0	0	1029	0	0	0	0	0	1127	814	1063388	0	0	0	0	0	0	2692	559	663	2076	1207602	365780	2575	93213	9799	0	16035	15649	1897	0	0	1393	1197	0	0	3279	959	0	5368	0	Peptide	0.3125	1.875	0.25
2	C16 H30 O5 N4	359.22888	359.22955	-0.035912845	359.22888	7714	9208	6591	6939	1864	27770	1241	2257	1039	1696	5878	1538	2323	1266	2925	2641	3588	2241	2344	0	0	1733	1509	6302	3083	0	0	341691	2333	2770	1938	4375	5742	2235	664	2334	3904	2776	3887	0	0	0	0	0	0	746	583	0	7094	2877	7241	7849	3692	0	1095	309	711	4918	0	0	5202	0	1614	569	0	6337	1334	3518	0	0	0	1877	2220	2803	617	1268	0	1994	2571	770302	1804	0	0	0	583	2211	3619	1974	1540	5870	154562	89590	4192	32657	758	0	8495	6752	1798	398	804	3860	2288	551	0	2514	831	0	2587	2767	Peptide	0.3125	1.875	0.25
4	C16 H30 O5 N4	359.22888	359.22955	0.04997929	359.2289	7474	6517	8787	8914	0	7548	607	542	0	0	3625	381	413	656	1076	2907	1647	466	0	0	0	790	299	608	1093	0	804	79229	835	0	517	0	1668	0	0	0	723	1352	3208	0	0	1760	0	0	0	0	0	0	0	0	8110	6214	320	0	0	0	0	0	0	0	0	0	324	0	0	527	407	0	0	0	0	0	694	0	0	499	0	326	1155	743289	573	0	0	0	0	763	1735	676	0	3427	595720	272722	1887	42470	4617	0	6553	7858	729	0	660	888	584	0	0	1137	389	0	1326	274	Peptide	0.3125	1.875	0.25
0	C23 H34 O1 S1	359.24033	359.2407	-0.5930592	359.2401	2784	2067	2553	2001	0	41266	0	0	0	0	1727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	499221	0	0	0	0	1723	0	0	0	0	0	0	0	0	10387	0	0	0	0	0	0	0	0	1821	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	576952	0	0	0	0	0	0	0	0	0	0	267125	26880	0	1898	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.04347826	1.4782609	0.0
2	C23 H34 O1 S1	359.24033	359.24057	-0.44039294	359.24014	1955	2457	2362	1646	0	0	0	0	0	0	3850	0	0	0	0	358	0	0	0	0	0	0	0	0	0	0	0	38242	0	0	0	0	844	0	0	0	595	0	731	0	0	0	0	0	0	0	0	0	0	0	2183	1460	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68163	0	0	0	0	0	0	0	578	0	0	57679	24687	0	20349	0	0	2948	2259	0	0	0	0	281	0	0	0	0	0	0	0	Organosulfur	0.04347826	1.4782609	0.0
18	C19 H34 O6	359.24283	359.24304	-0.05792082	359.2428	2681	5165	3364	1822	0	2931	1626	6582	0	0	0	0	0	1386	0	1643	0	0	0	5360	0	0	0	1207	0	0	4251	4250	0	1916	1891	4600	0	0	0	0	0	0	0	6682	0	5571	0	0	0	10088	0	0	7634	2882	3711	3544	0	0	0	2277	10610	2851	0	0	0	0	0	0	17862	0	0	0	0	6701	0	4219	0	0	0	0	0	0	0	1492	0	0	7164	2655	6195	64638	0	1941	0	0	51864	205429	0	0	2483	0	3782	4627	2605	10113	54456	0	0	5549	0	0	19198	0	0	0	Lipid	0.31578946	1.7894737	0.0
24	C19 H34 O6	359.24283	359.24304	-0.016958462	359.2428	2572	2801	2294	1968	1081	3219	12783	3454	0	1609	2947	0	0	3442	0	1582	0	1436	0	2190	0	0	0	0	0	0	10595	21953	1697	0	1479	2648	1243	2550	0	2465	0	0	1405	4106	0	2134	0	0	0	3655	0	0	5771	0	1704	2699	0	0	2801	0	1928	2368	2000	884	1145	0	2787	0	7269	3577	3308	0	0	2464	0	2075	0	0	0	0	0	0	0	24312	0	2967	7400	6843	0	7740	1724	2282	1430	0	50509	40605	0	3355	2406	0	1445	2473	1307	1352	0	0	0	1481	16614	0	3500	0	0	2883	Lipid	0.31578946	1.7894737	0.0
26	C19 H34 O6	359.24283	359.2432	0.31559375	359.24292	3318	0	0	2186	1975	0	5777	0	0	2063	0	0	0	0	0	0	0	0	0	7515	0	0	0	0	0	0	3651	15397	0	0	0	0	0	0	0	0	0	0	0	3517	0	0	0	0	0	0	0	0	6633	0	2679	0	0	0	0	0	0	3562	3295	0	0	0	0	0	5612	3868	4495	3966	0	6275	0	2478	0	0	0	0	0	0	0	12389	0	6705	0	0	0	0	0	0	0	0	26158	30207	0	0	0	0	1941	0	0	0	8445	0	0	0	21898	0	0	0	0	0	Lipid	0.31578946	1.7894737	0.0
22	C19 H34 O6	359.24283	359.24323	0.05437987	359.24283	26172	23216	21333	25343	6381	19124	30611	50111	0	4003	2549	0	4203	16502	0	22126	1457	2891	2741	65163	0	0	0	8711	0	0	28463	30507	9584	10172	12917	25071	1332	16991	1604	13780	0	0	0	35972	0	19986	0	0	0	53506	0	0	48365	27792	24924	31614	2044	3391	1637	6821	31490	23315	0	0	30068	0	7837	0	63590	5433	13590	0	0	48802	0	50056	1270	1441	0	7607	0	0	0	37131	0	0	21005	21554	34798	205329	0	34084	9956	0	484824	1020752	0	3535	14716	0	23956	31919	11289	11473	81418	0	0	40014	2731	0	74213	0	0	7233	Lipid	0.31578946	1.7894737	0.0
22	C23 H34 O3	359.25806	359.25848	-0.002356827	359.25806	26605	34598	25394	29410	19097	12436	67046	26372	15494	16352	23722	19989	11573	28975	25946	37648	87280	16745	21783	12205	10149	17002	15844	18944	33549	30843	66365	23884	29921	33313	26266	33289	30390	17094	12142	36833	28154	28134	86427	9643	16595	19285	0	0	0	8248	17232	0	23552	27428	29672	27600	23782	0	21682	31025	24584	39111	11862	23117	27706	8504	19865	12372	30090	20815	34219	92949	23220	10123	31887	10301	16857	31397	60477	32733	0	15890	39793	30284	26485	16138	39809	33970	37126	35039	75712	21353	26893	101555	26438	21610	27797	15290	14672	0	27358	25367	21803	38812	42935	43054	14624	22118	13553	22830	38668	0	41767	7958	Lipid	0.13043478	1.4782609	0.0
20	C23 H34 O3	359.25806	359.25848	0.030582046	359.2581	7383	4980	6063	5464	2614	1890	22196	6465	6608	0	4200	7875	0	5475	10221	13150	35990	1783	7380	0	0	1986	6847	3644	11941	2125	18469	4965	11050	11064	6024	8753	6820	2589	0	11555	4453	9744	36580	0	1819	6849	0	0	0	0	2992	0	8291	4072	6441	5577	4446	0	4990	7119	5416	9998	1390	5443	7226	0	3098	3516	9628	4227	5184	40718	1979	0	4003	2162	5498	11247	24796	8400	0	2983	17285	3966	8758	4327	11283	0	10542	7944	28227	3864	3383	44504	6371	4333	8284	0	0	0	3152	4773	6954	9066	16516	10134	3517	1546	1949	4556	11893	0	15200	1747	Lipid	0.13043478	1.4782609	0.0
24	C23 H34 O3	359.25806	359.25848	0.03717509	359.2581	94869	98465	86127	83606	76876	48512	221741	81314	57791	58062	84652	64368	49453	93816	88076	138267	171499	52283	103193	58615	67789	67507	61632	69832	100983	156144	223405	96912	92189	102095	66588	104385	109431	58547	61276	122000	89386	84019	191900	51672	82669	60478	2451	0	0	48339	57789	0	97574	84775	98411	94158	73673	0	73763	76528	67736	121934	51688	62228	104035	35538	58466	55616	85867	73028	116330	178411	83671	85628	132170	35779	53683	111914	136383	99060	0	52929	110399	88838	77045	55641	110137	84770	101967	95103	210659	72032	86885	243752	106178	90662	119304	64760	61349	0	84681	96544	63786	106239	123712	147343	55152	92731	51268	88675	88981	0	127472	41997	Lipid	0.13043478	1.4782609	0.0
4	C17 H34 O4 N4	359.2653	359.26562	-0.029324185	359.26526	0	585	633	521	0	0	0	0	0	0	0	0	0	0	0	415	0	0	0	0	0	0	0	1165	1672	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10020	0	0	0	0	0	0	0	0	0	548	31965	1091	538	3911	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1884	0	Peptide	0.23529412	2.0	0.23529412
0	C17 H34 O4 N4	359.2653	359.26532	-0.22137868	359.2652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9665	0	0	0	0	564	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41207	0	0	0	0	0	0	0	0	0	0	35764	7572	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23529412	2.0	0.23529412
6	C17 H34 O4 N4	359.2653	359.26605	-0.15193087	359.26523	0	0	0	0	0	0	0	1507	0	0	0	0	0	0	0	1127	0	0	0	0	0	0	0	0	0	0	0	0	1439	0	0	0	0	0	0	691	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21862	0	0	817	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23529412	2.0	0.23529412
8	C17 H34 O4 N4	359.2653	359.26587	0.14086606	359.26532	91414	115750	126298	107361	0	919	285992	255908	0	6928	15290	172363	0	0	255938	362872	853683	0	0	6342	4529	0	22483	17923	141728	0	243650	14890	300288	265319	348185	262910	131036	171791	3357	236442	145233	293077	1127837	1744	2490	1812	0	0	0	0	0	0	684553	118074	116645	106934	647	0	0	0	10779	156899	0	0	259117	2159	0	0	12806	0	2474	885508	7099	9227	20502	166895	174537	45132	343993	263621	0	145202	3505	0	7710	0	0	3199	0	7226	0	3357	3325	0	0	0	0	3302	0	0	105655	113283	0	0	0	134118	125954	0	0	151039	0	0	242932	0	Peptide	0.23529412	2.0	0.23529412
2	C17 H34 O4 N4	359.2653	359.26605	0.18215382	359.26535	0	0	0	0	0	0	0	0	0	0	1088	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	66358	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	391345	0	0	0	0	0	0	0	0	0	0	67864	7674	0	2663	0	0	0	767	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23529412	2.0	0.23529412
12	C22 H34 O2 N2	359.26932	359.2697	0.32267553	359.2694	0	0	0	1942	0	0	0	0	0	0	0	0	0	0	0	1781	0	0	0	0	0	0	0	0	2041	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1659	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26259	2869	0	11483	0	1601	0	0	0	0	0	0	0	0	0	0	2255	0	0	1019	0	Lipid	0.09090909	1.5454545	0.09090909
26	C20 H38 O5	359.2792	359.2793	-0.005914215	359.2792	0	0	0	0	4550	0	4846	0	0	0	0	0	0	2616	0	0	0	0	0	0	0	0	0	0	0	0	5525	2915	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8230	0	0	0	0	0	0	0	17781	3345	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34017	54298	0	7963	0	0	8771	11445	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34129	0	0	0	Lipid	0.25	1.9	0.0
28	C20 H38 O5	359.2792	359.27942	0.033409454	359.2792	0	0	0	0	0	0	0	0	0	0	1257	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5168	0	0	0	0	0	0	0	0	0	0	26668	24584	0	1283	0	0	0	0	0	0	0	0	4126	0	0	0	0	0	0	0	Lipid	0.25	1.9	0.0
4	C19 H38 O4 N2	359.29044	359.29077	-0.03973167	359.2904	459	878	631	831	0	0	521	0	0	0	0	0	0	0	0	0	1382	0	0	0	0	0	0	0	0	0	0	0	5932	0	10371	661	31994	1424	0	632	35209	0	725	0	0	0	0	0	0	0	0	0	5513	0	457	881	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31471	328	0	395	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	721	1286	0	0	0	18873	0	0	0	0	0	0	269	0	Lipid	0.21052632	2.0	0.10526316
6	C19 H38 O4 N2	359.29044	359.29077	-0.06745151	359.2904	902	1099	756	901	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1265	0	4984	923	48118	1592	0	0	38149	0	855	0	0	0	0	0	0	0	0	0	3609	0	1567	1114	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	965	0	0	0	0	0	0	22488	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	899	1284	0	0	0	24986	0	0	0	0	0	0	0	0	Lipid	0.21052632	2.0	0.10526316
26	C24 H38 O2	359.29446	359.29483	0.10210632	359.2945	10129	11363	10272	6561	2799	2950	107441	7282	3398	0	14259	6742	0	25053	9467	7521	21041	0	0	0	0	2174	0	0	10578	15615	107410	28386	11151	15966	7265	9940	4252	4455	0	14809	4552	11116	21353	0	6791	10001	0	0	0	0	0	0	10853	10957	8657	8568	10442	0	0	0	9389	7553	3350	12125	18095	4340	6487	0	24856	5092	16778	24976	9115	2504	5061	0	4148	8466	16571	9701	0	4282	19702	20598	4772	14769	14214	19408	5647	8308	73341	5107	10499	59473	14207	8154	0	5251	0	0	10572	14842	7133	2125	0	8202	5111	14902	8407	3673	0	0	15489	2198	Lipid	0.083333336	1.5833334	0.0
24	C24 H38 O2	359.29446	359.2947	0.05745389	359.29446	2546	3673	1742	1980	0	0	31882	1678	0	0	2103	1346	0	3417	2241	1847	13290	0	0	0	0	0	0	0	3579	1632	31417	3989	3351	7077	1300	4684	1400	1343	0	5322	0	2108	17866	0	1674	1614	0	0	0	0	0	0	2552	2253	1781	4182	3655	0	0	0	2081	3573	0	2852	2390	0	1214	0	6240	0	4136	15324	1260	0	0	0	0	2651	9048	3733	0	1232	7215	2026	1963	3037	4614	4999	0	0	22208	1477	2663	33098	1360	1814	2693	0	0	0	2426	1619	916	1317	0	3447	1848	1859	0	0	0	0	2770	0	Lipid	0.083333336	1.5833334	0.0
28	C24 H38 O2	359.29446	359.2949	0.10442384	359.2945	3979	3796	3785	3994	1686	0	33690	4257	3417	1227	12796	2533	0	4372	4523	3653	7335	2339	1829	2525	1952	1405	3526	0	7642	7842	25072	25528	5948	7088	2308	5941	2713	3081	1665	8710	2820	6042	6734	2000	3089	5692	1282	0	0	0	0	0	3143	6078	3873	4115	2670	0	0	3186	3183	4808	4179	4485	8731	2627	2551	2349	6872	3597	8832	10309	6796	1186	907	1062	2310	5107	3969	5095	0	2973	12238	13189	4471	5952	5300	5313	4138	5311	32362	2037	4482	14268	10210	9032	2995	5172	2073	0	4514	3601	2534	3012	4851	6074	3230	7618	5915	2212	4357	0	7562	1301	Lipid	0.083333336	1.5833334	0.0
26	C16 H9 O9 N1	360.035	360.03546	0.12736575	360.03506	4698	5040	2590	1965	8438	3574	0	0	6998	3286	0	0	11973	0	0	0	0	13029	10522	0	0	5194	0	0	0	0	0	0	0	0	0	0	2315	0	0	0	2260	0	0	0	2835	0	0	0	0	0	0	0	0	0	2117	3494	5128	0	15940	0	0	2206	0	0	0	0	11887	14650	3172	9020	4075	3385	0	0	0	0	0	0	0	0	0	0	5066	0	4797	0	0	0	4912	0	2719	2763	4921	4190	0	0	7908	5002	5355	0	5582	0	0	6588	7192	0	0	0	0	2614	0	0	0	20686	Phytochemical	0.5625	0.5625	0.0625
22	C17 H13 O8 N1	360.07138	360.07187	0.13869663	360.07144	10487	5095	6154	8963	8735	8734	1327	1837	8887	19969	8840	2423	11337	4492	3371	4933	3981	13938	14401	4044	12136	32371	3568	4497	2910	0	1863	3354	2317	0	1932	0	6163	1668	18490	2019	6997	3037	3153	10247	19472	5183	0	0	878	6342	15816	0	2312	2077	8514	7484	7070	0	9736	5847	4330	4112	2466	5600	4189	9206	18372	14365	3122	16620	7214	4279	5154	3003	4345	2976	1540	0	2028	1164	769	3586	8351	25550	6904	7514	3149	5388	10907	6579	7638	6275	7007	7460	5485	4286	11193	35823	41994	0	7823	5057	6139	12000	10447	6242	2547	3137	7408	4639	9955	0	2967	17405	Phytochemical	0.47058824	0.7647059	0.05882353
26	C17 H13 O8 N1	360.07138	360.07187	0.17083971	360.07144	4925	4125	3332	3767	4892	4163	0	0	6328	13945	3350	0	8369	3358	0	0	0	11042	7008	0	10170	19956	0	0	0	0	0	0	0	0	0	0	2266	0	14536	0	2158	0	2225	8227	12955	0	0	0	0	0	9473	0	0	0	4286	3525	4153	0	4348	0	0	0	0	3636	0	6776	8801	6415	0	4573	3737	1988	0	2200	3119	0	0	0	0	0	0	0	3976	13440	4328	0	0	3341	5132	0	3032	3938	0	3457	2309	3443	0	20604	25930	0	5066	6283	0	4151	5405	0	0	0	0	1925	0	0	0	10779	Phytochemical	0.47058824	0.7647059	0.05882353
20	C17 H13 O8 N1	360.07138	360.07187	0.13487294	360.07144	13599	16754	12647	9698	18420	11421	4877	4836	17331	33589	14536	5130	32678	8349	5629	9906	7815	21282	19565	11569	25856	49300	11138	8140	4611	2496	6124	5536	2140	3071	4346	4323	10678	3745	35102	3063	12788	8090	9118	25986	35094	7501	1398	766	330	15112	24240	1251	4425	3340	14332	17883	11489	518	26667	17338	9002	8576	3973	5423	8016	16534	33503	21928	6165	23933	11206	6146	11085	11326	23074	2080	2057	1458	2834	2521	538	4407	19596	40046	14636	12081	3270	11216	21600	11872	16510	9852	9304	14955	7715	10044	14826	64365	50550	0	14462	12701	9289	20674	17458	6819	3569	6643	12790	10431	11654	639	7092	41655	Phytochemical	0.47058824	0.7647059	0.05882353
24	C17 H13 O8 N1	360.07138	360.0718	0.095026754	360.07144	5109	3441	4440	6426	5892	3771	1360	1314	5436	9303	3490	1447	7085	2291	2301	3902	2650	8504	7621	0	6941	19970	4730	3633	1817	0	0	1799	1573	0	1137	1070	2597	0	7141	0	1301	1688	2039	9771	11030	2822	0	0	0	4026	9507	0	1821	1262	3251	6354	4094	0	6786	3097	2681	2261	2827	1859	2097	6677	9145	8591	1861	7777	4557	0	0	1978	4062	964	1283	0	1486	0	0	1234	4791	14402	2440	4895	1977	2939	6240	5294	3750	2918	1762	5303	2544	2726	5293	25392	29763	0	3407	4705	4538	3897	4454	3046	1688	3246	5117	3462	1924	0	2415	9691	Phytochemical	0.47058824	0.7647059	0.05882353
14	C14 H17 O8 N1 S1	360.07477	360.0753	0.112006664	360.0748	5486	5429	5137	3248	6840	9152	0	2633	7415	8689	2616	1686	12638	0	1885	4389	4453	12685	9052	3773	7637	21690	4432	0	1276	2428	1863	0	2762	2317	1441	0	3664	3023	10289	1782	4262	1495	2767	15965	15045	5398	0	0	0	6357	4660	0	2637	0	7364	5135	7331	0	6776	6873	3733	4473	0	0	0	14856	9208	6090	3009	4441	4999	3145	0	3678	4340	0	0	0	2355	1578	0	1095	3098	0	1610	3963	2565	4983	4815	0	3578	2808	4996	5480	7037	16974	9079	13478	14369	0	4385	4217	1782	5837	4472	4044	1611	2982	0	5889	4931	0	3796	11634	Organosulfur	0.5714286	1.2142857	0.071428575
20	C15 H13 O4 N5 S1	360.0761	360.07623	0.53145856	360.0763	0	0	0	0	0	0	54803	0	0	0	0	9431	0	0	0	0	0	0	0	0	0	0	0	0	0	0	108505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3214	0	0	0	0	1458	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5418	0	0	0	0	0	0	0	Organosulfur	0.26666668	0.8666667	0.33333334
16	C14 H17 O10 N1	360.09253	360.0931	0.19065614	360.0926	5369	3849	4556	6899	14471	11927	2495	4399	25054	0	4353	6090	28144	5004	5875	1645	5041	33644	24545	2217	3650	2642	8509	1785	1307	0	1131	0	2007	3913	3694	0	3779	1888	1782	0	3783	4788	3167	2145	5516	11327	851	0	634	1827	7815	463	3552	3228	3301	3974	10815	0	34658	24567	7861	2956	3068	3113	0	3852	26182	29438	9329	12986	13484	0	7413	0	4542	3130	1614	3735	2786	1822	427	2728	4040	0	3178	2588	0	0	22220	5796	3087	11315	7975	0	0	2729	0	5819	1999	0	3795	3899	16526	14002	18985	7272	5367	2743	5603	0	18631	0	1444	31077	Phytochemical	0.71428573	1.2142857	0.071428575
14	C14 H17 O10 N1	360.09253	360.0931	0.14651185	360.09256	10799	10691	6822	9962	27739	21029	3775	6935	43308	2968	10873	7518	69912	12307	9412	5008	12575	52762	40085	3961	24763	9435	21020	7037	2116	0	0	0	3623	4981	5164	0	10660	4169	6877	3442	7363	6998	5877	3186	12729	21353	0	0	341	4562	12756	491	2620	2475	6508	5599	23791	303	62198	54086	15723	2318	0	9637	0	15264	51202	63557	15470	28780	13199	6199	15011	0	3755	1923	2105	5348	10420	2296	0	7129	6303	0	7459	3749	1474	1029	42003	14847	5649	17194	16297	5068	0	4718	4236	12848	3514	0	9598	9753	28949	28990	35893	9815	9696	2884	0	5268	31772	0	2167	61327	Phytochemical	0.71428573	1.2142857	0.071428575
24	C18 H17 O7 N1	360.1078	360.1082	0.07307418	360.10782	7327	3244	4306	7159	5752	4557	1338	1723	6483	26281	10251	2148	7717	3926	3381	1766	3614	10531	6062	4572	10211	15993	4274	4445	3152	2427	0	7485	1921	1916	1712	1981	5052	2014	16691	1465	2315	3145	2771	9823	12479	4116	0	0	0	11665	17372	0	3427	1424	5667	2562	4497	0	7253	4609	4251	3584	2079	1749	4618	10165	6930	8761	1442	5370	4620	2593	9624	14575	11010	2907	0	0	2361	1845	0	1673	5766	20260	3967	9641	1912	4329	6310	0	3528	2646	3946	6080	4641	4697	7645	23261	29371	0	4596	3655	3805	3859	4295	4423	2241	2588	8792	3588	3957	0	3601	11196	Phytochemical	0.3888889	0.9444444	0.055555556
22	C18 H17 O7 N1	360.1078	360.10825	0.11659062	360.10782	17273	19650	15686	16009	16838	9293	3599	4920	14129	46752	26400	3564	14838	10030	5641	9032	6483	18911	12766	25487	39280	42682	8085	9896	7346	15787	5578	22527	4563	5088	6128	6208	8144	4176	47056	4200	11691	5942	5001	31877	45491	6803	0	0	493	24996	37134	0	6449	4755	11163	12173	10772	616	17922	10041	5805	8392	6708	5609	8723	20152	22238	15558	5163	13657	10595	7045	27332	32115	43117	5490	3647	2441	3116	3426	776	3974	11318	37211	10425	18963	4374	17511	16527	7033	11483	8953	10570	9228	13180	15737	16169	48461	63617	0	9469	14865	10086	14984	12033	6281	4056	3927	16611	11065	13428	0	7470	28530	Phytochemical	0.3888889	0.9444444	0.055555556
14	C15 H21 O7 N1 S1	360.11115	360.1117	0.14213327	360.1112	11885	10498	11936	13797	11161	9710	5552	7717	10304	23209	8786	4006	13491	4153	5558	8968	7442	20411	14163	19391	24245	36509	4651	6404	8665	11332	4876	15187	7401	6139	5962	0	9040	8913	30744	8093	9639	5709	8757	28981	24943	7678	0	0	0	21489	18316	0	5332	3746	13117	10340	10321	0	10468	8299	3421	13465	18211	12620	0	18639	5562	4685	3524	12004	8380	8975	16322	12454	12014	5035	4712	5056	4498	3719	0	4441	4630	0	4172	11925	13721	14104	5730	5399	10704	6602	8470	12191	47496	50910	13478	22122	29467	0	11102	13795	5748	4898	8921	11935	3922	17709	0	15186	9378	0	6068	13630	Organosulfur	0.46666667	1.4	0.06666667
4	C15 H21 O9 N1	360.1289	360.1296	0.09749954	360.12894	10459	9665	10639	11185	10579	6921	5021	12590	15281	7757	10118	8148	25799	5801	7818	10151	11989	20619	19707	10166	14517	14732	9821	12882	4359	3948	4536	0	8090	9775	8159	9234	12056	6835	12391	9261	11461	5984	13635	9608	9120	11584	0	0	468	9128	11157	0	10903	11493	9610	8539	10142	469	24633	20935	7791	8588	9939	11607	10642	6393	27075	19668	10554	14460	9701	12890	6828	3243	4781	9762	7455	10932	3701	7614	282	7707	7205	0	6982	4109	5105	2787	23723	11320	7040	10390	11196	7494	6808	6797	11393	5821	6437	0	10143	12832	11087	18910	24264	13030	6779	13724	6817	9474	14595	0	4480	26115	Lipid	0.6	1.4	0.06666667
2	C14 H21 O8 N3	360.14014	360.14084	0.08920768	360.14017	8091	10388	7616	6001	8159	0	2750	7843	8206	2565	4492	7519	15764	4903	5255	907	8579	12195	11055	2393	4584	10399	6239	7841	2515	0	0	6771	9727	5631	8484	7125	16017	6828	3500	5482	10960	4019	9075	2486	2101	9798	0	0	0	2780	1440	0	7749	4658	8682	8871	9798	0	9520	4529	3914	10649	2925	3388	2597	702	17877	10075	4742	17154	10695	9175	0	690	0	7797	9142	5880	793	5610	0	4445	4804	5135	3618	1242	1524	524	5730	3891	4973	9901	12187	14115	14552	11508	15130	2872	0	0	7519	7886	5215	6464	6044	7701	5016	3235	1392	13762	4199	0	4601	23460	Peptide	0.5714286	1.5	0.21428572
0	C14 H21 O8 N3	360.14014	360.14087	-0.045854878	360.14014	3329	3445	4072	2519	5300	8181	0	4227	3056	1252	0	1665	5059	0	0	0	1804	4310	4333	0	1399	3535	2316	5761	1887	0	0	1367	7777	2135	4388	6368	9068	3335	1766	4383	5322	0	2761	0	0	7225	0	0	0	1605	0	0	8129	2344	4214	4083	4654	0	3450	1291	0	8792	710	662	1833	0	6745	3878	1645	5690	6789	2796	0	0	0	4671	7285	3472	0	5908	0	1560	1359	745	0	0	0	0	1341	0	1639	4088	5970	2281	21359	5418	6485	1067	0	0	3227	5066	1010	1830	964	4975	0	0	0	7472	1297	0	1139	11037	Peptide	0.5714286	1.5	0.21428572
24	C19 H21 O6 N1	360.14417	360.1446	0.12048267	360.1442	10126	9246	8145	9743	10905	6255	3617	4354	8159	24845	20867	3409	10766	4044	4610	7681	5997	8285	12424	14441	21433	19171	5405	10403	3644	20475	2900	19777	4121	4953	6330	6695	5422	5770	18017	4970	8327	4141	9066	19500	21748	4826	2213	0	0	9441	21832	0	5956	5459	10635	8661	6417	0	7858	5476	4795	5620	5163	4246	6794	13089	8971	10341	4014	13180	6406	7298	24807	26173	31388	6199	7616	6500	3654	5011	0	4382	9541	17625	5919	11148	4062	13079	9892	4579	6446	9524	4395	8507	9691	11280	8682	18263	22236	0	8077	8894	5937	7060	9474	6926	3518	6517	7172	9113	3841	0	6377	9727	Phytochemical	0.31578946	1.1052631	0.05263158
4	C19 H21 O6 N1	360.14417	360.14484	0.07846797	360.1442	22187	23044	20277	20310	15203	14089	9113	19679	18459	53951	26802	11749	20423	13724	12876	17334	15846	19037	23170	50329	66815	34740	15936	17630	10529	65189	10730	24345	14776	12572	12900	11094	15599	14132	64317	15512	20811	11747	22721	38975	51023	11663	0	270	316	31921	54519	441	16806	16692	21709	16630	11664	358	23348	14171	7737	15928	7190	16167	16023	27069	19818	19824	7818	18746	12338	15861	66934	82514	97190	12232	12420	11998	10216	10605	269	11441	16649	27271	13040	22630	9587	21625	20870	11024	14131	11072	13288	17962	20117	17612	27501	28096	45426	723	17420	25419	16741	13481	14926	15200	10416	22903	24668	13173	15149	419	9979	19491	Phytochemical	0.31578946	1.1052631	0.05263158
2	C19 H21 O6 N1	360.14417	360.14487	0.026079088	360.14417	8619	7408	7607	9610	6719	14059	6336	10466	8194	13019	10729	7560	8329	4451	7263	4127	9468	9034	10043	14066	25200	12351	7576	6269	4952	16550	3436	11034	7565	6422	7860	6413	11598	7864	19850	8040	9564	6147	11951	11138	18625	6348	392	0	307	8462	15163	0	9196	6450	9102	7745	5676	0	10439	5543	4449	8672	4533	7015	4712	9012	7882	9297	3104	9420	6753	14922	22943	24711	35039	8368	7088	7631	6536	8095	393	5896	9612	7666	7647	8230	4846	8118	6177	4971	9113	5718	6391	15881	4809	9952	13916	10662	8111	737	8657	9448	6535	5517	6659	7163	7023	8607	8061	8322	5148	0	6578	7695	Phytochemical	0.31578946	1.1052631	0.05263158
22	C16 H25 O6 N1 S1	360.14752	360.14795	0.06956365	360.14755	6003	6897	5979	5970	2145	2505	8642	13876	2418	7186	2443	6678	2615	0	12565	9443	9051	3941	2673	5412	2298	4125	2748	7188	10740	0	6961	4420	11637	13557	8963	17100	3070	5531	1893	25778	4973	11700	10371	2564	1864	6754	0	0	0	4564	2642	0	8259	10417	6463	5249	4301	0	2252	1234	5175	15209	3461	1430	8801	3410	0	0	4473	3146	5090	13138	1830	3460	0	6296	5574	14260	31666	13767	0	6815	5533	5295	7139	1568	0	2805	0	3878	21357	1515	3827	21168	7155	9648	9279	4299	4772	0	3377	7740	3041	1447	2208	5059	5373	6577	3658	7014	1616	0	8291	1924	Organosulfur	0.375	1.5625	0.0625
24	C16 H25 O6 N1 S1	360.14752	360.1479	0.16521521	360.14758	2051	3204	3730	3589	1683	2060	2113	17834	0	1347	0	6827	0	1202	9659	16685	7528	3503	2346	0	0	4051	8163	11745	7763	0	1206	0	11355	15182	8244	16130	6361	5728	1396	20714	3245	5599	3658	948	0	5312	0	0	0	1423	0	0	8635	13244	4754	2788	1992	0	0	2602	1454	13643	1346	1051	11851	837	0	1064	3670	2109	5935	6370	0	0	0	4824	7918	15840	14673	12100	0	6803	5065	0	6256	1143	947	0	1096	0	23395	2041	4780	9483	5921	1480	12748	0	0	0	4014	7913	2151	0	0	6927	4417	0	0	10780	0	0	5834	0	Organosulfur	0.375	1.5625	0.0625
0	C12 H25 O11 N1	360.15002	360.1512	0.12779313	360.1501	0	0	0	0	0	27982	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1544	0	0	0	1506	0	0	0	0	0	0	0	0	1178	0	0	0	0	0	0	0	0	0	0	0	744	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	676	0	0	0	A-Sugar	0.9166667	2.0833333	0.083333336
6	C21 H22 O3 N1 Na1	360.157	360.1577	0.37010825	360.15714	92578	96330	77082	90474	34366	49900	78958	134850	33780	112426	64436	69241	34780	29108	71433	141984	85916	50792	70840	116278	140420	128718	67710	136032	71260	59530	65836	56730	109299	104194	108876	123307	136697	0	137542	103490	118676	70581	115808	117890	145224	13265	0	0	0	106770	124466	0	142109	111314	96218	109118	50988	0	40928	21760	33926	122332	51082	86370	125328	75828	28388	33440	32512	48120	65422	131474	63410	117212	114200	94894	100702	92101	65241	93784	0	85466	81020	73164	0	57956	58604	75146	27110	38598	78966	61624	55358	188260	120042	114349	214611	79970	128634	0	82280	92994	23724	19814	26050	127439	68594	131198	59556	113784	20782	0	81289	45396	Phytochemical	0.14285715	1.0476191	0.04761905
24	C20 H25 O3 N1 S1	360.16278	360.16327	0.3414013	360.1629	1269	1504	1329	0	0	0	0	0	0	1596	1805	0	0	0	5200	0	0	0	0	0	0	0	0	0	0	1927	0	1462	0	0	0	0	0	0	0	0	1074	4903	0	1661	4093	0	0	0	0	0	0	0	0	0	971	1157	0	0	0	28878	21093	0	0	1096	0	826	0	0	0	0	0	0	5103	0	1860	0	0	0	0	0	0	0	0	0	0	1309	0	0	0	0	0	0	0	0	0	0	1534	0	0	0	0	0	152579	0	0	0	0	0	1463	0	0	0	2373	0	Organosulfur	0.15	1.25	0.05
0	C20 H25 O3 N1 S1	360.16278	360.1636	0.4881161	360.16296	2810	2166	2606	0	1269	0	0	2150	0	0	0	0	0	0	0	0	0	2807	0	0	0	0	0	2494	0	0	0	0	0	2450	2452	3186	2041	23698	0	3741	3677	0	0	0	0	0	0	0	0	0	0	0	4216	0	2605	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2966	0	0	0	0	0	26477	12504	3590	0	0	0	0	0	0	0	0	0	0	0	0	0	12274	2236	0	0	0	0	0	0	0	3051	2605	0	0	0	2508	0	0	0	1831	0	0	0	2525	Organosulfur	0.15	1.25	0.05
4	C16 H25 O8 N1	360.16528	360.16595	-0.026188673	360.16528	16922	14935	15586	18287	9449	12934	7881	22649	30432	10658	6766	16368	51449	6794	24148	19251	15509	37814	44938	19261	16688	19199	29268	35271	9177	4537	8082	5598	20833	13745	13172	13607	41904	12127	17534	19237	37104	22202	20094	11672	9879	13924	0	0	334	14388	19708	0	18102	15899	14642	12474	13038	256	46622	15567	7136	31912	19450	14324	19695	8572	40852	32188	6274	30616	25522	15925	7581	5107	5206	16181	12557	19712	5074	18649	0	12109	11994	4822	11174	10185	9506	7384	31594	21006	8361	8772	12199	28526	31522	41204	53542	9775	9020	475	13252	16445	9645	16123	16588	19298	9809	23259	14785	28838	13693	0	5412	55792	Lipid	0.5	1.5625	0.0625
8	C15 H25 O7 N3	360.1765	360.1771	0.13335481	360.17657	5067	7823	4484	3880	1163	2970	4066	7434	3372	0	1597	2862	2640	1419	7200	9396	4633	3423	4796	2293	2767	4332	5393	9640	6095	0	5018	3808	5899	5334	5149	6896	7013	6225	2771	6139	6716	5327	6752	0	0	2058	0	0	0	2296	0	0	5967	3966	5675	4748	2349	0	4150	1094	2450	8365	2415	2053	9835	0	3116	1788	2404	5046	3952	7589	0	0	0	5909	2659	4304	3067	5347	0	4236	5313	5144	4780	2078	2515	0	2075	0	8198	3926	4919	13998	23880	18535	15273	2029	1423	0	5997	5246	1203	2017	2910	6393	5598	2935	0	9061	2395	0	5502	3949	Peptide	0.46666667	1.6666666	0.2
6	C15 H25 O7 N3	360.1765	360.17715	0.14464653	360.17657	8808	10420	10894	9574	4197	5431	11356	13981	8700	3350	3870	7007	11065	2934	15733	18246	8018	9948	9151	3474	3209	11067	10980	18181	10606	0	8617	8086	11477	14041	14148	15419	15903	11299	4345	13488	13958	13574	10974	1979	1613	5940	0	0	0	4882	3915	0	9907	12699	14201	10959	6237	0	9189	2911	3993	19744	6650	2568	17510	1483	6476	5909	0	9329	5996	13912	0	0	0	9171	8844	17709	5643	9836	0	13115	7717	11416	7249	4647	3738	0	3740	6326	12352	5149	6948	19619	29039	21561	25694	2263	1962	0	8604	9658	3594	3651	4290	17207	10988	6068	0	14937	3346	0	7180	9665	Peptide	0.46666667	1.6666666	0.2
0	C15 H25 O7 N3	360.1765	360.1772	-0.15130627	360.17648	7187	7702	5730	5735	8048	7614	2536	13733	8737	1756	1276	5531	12791	4189	6314	0	5613	14142	9341	2738	3722	7187	5195	7838	3706	0	0	1504	14888	6476	11299	11652	17298	16540	5649	14096	14079	4232	5960	1502	0	8665	0	0	0	2666	0	0	12988	7330	5935	6252	8635	0	8497	4002	2682	10296	2363	0	5029	0	8125	8203	2547	13509	9665	7353	0	0	0	13422	20141	9320	0	10597	0	6850	3229	2882	2966	0	0	0	3325	4461	2999	6591	7307	5713	13824	8447	11442	1519	0	0	8745	7910	2893	4024	5838	9510	4245	2567	865	10546	5580	0	3361	17346	Peptide	0.46666667	1.6666666	0.2
4	C20 H25 O5 N1	360.18054	360.1812	0.025088567	360.18057	35818	36358	29835	33009	7996	14851	19684	50011	8995	54395	25660	24542	8505	7815	27336	42122	39177	15419	21348	69120	74004	43035	27702	42952	25052	63919	24085	26624	37423	32864	32138	41279	40841	33421	69507	40637	36562	23278	40100	44801	44147	13240	0	0	254	33728	42053	307	41446	44943	31238	26759	12135	245	13065	5571	8425	36426	3512	9882	37478	29198	9984	11116	6261	12081	14515	43680	43280	73476	72603	35066	33426	41080	35545	32191	0	26428	29072	26827	25354	13307	13670	34334	9471	8906	24723	15944	16569	42530	38400	22524	59673	30914	58026	0	33473	39041	7832	5899	6708	36881	21833	49846	19028	32179	7041	0	25953	8675	Phytochemical	0.25	1.25	0.05
6	C20 H25 O5 N1	360.18054	360.18115	0.017213922	360.18054	64739	63521	61680	57796	22050	24908	36918	75471	22716	145781	66179	38636	20787	17004	45138	66366	47609	33299	43863	178294	181578	78156	40623	76082	39211	153467	35955	60565	64466	61184	60050	69435	78711	64462	169636	64121	76004	32279	65799	94115	90472	25170	0	0	0	69794	84283	296	91441	67418	59936	64721	24548	349	26423	10604	14352	64802	5116	19857	74526	59540	20924	23460	12996	26139	32799	68774	103553	212088	198448	62042	58091	62372	54179	54267	0	38267	38251	49199	35336	19368	17734	75350	14991	22459	38454	31988	31304	74910	66663	36058	92642	60311	116032	0	65312	63041	13840	10062	12820	74644	34271	78458	39179	57540	14890	0	37743	23421	Phytochemical	0.25	1.25	0.05
14	C20 H25 O5 N1	360.18054	360.18106	0.006576301	360.18054	78968	79330	86175	84581	33541	36986	49380	59986	36997	148673	94532	46397	32180	28066	44026	79155	85352	38308	52116	166502	201533	104819	40989	82846	48439	188493	51324	87980	52200	55091	54004	64444	67671	52874	154592	58864	62034	40950	87903	124602	153562	34234	0	0	265	81155	89262	447	67397	60072	71859	69207	36937	250	38774	22458	26078	75962	25052	65352	57562	72494	40204	35420	22639	34271	42324	94304	149771	240739	255921	56041	51442	52986	61845	57949	224	41737	57616	73721	51825	46789	51499	89468	29303	32053	67396	35697	42821	145149	84050	76582	123700	67769	113894	0	78590	69619	26143	23320	27010	67960	37861	80568	27467	71212	25983	0	56337	35470	Phytochemical	0.25	1.25	0.05
8	C20 H25 O5 N1	360.18054	360.18112	0.020321902	360.18054	79473	77094	66129	84886	28066	32506	37592	68581	23740	186350	89904	41031	25118	21362	40853	77030	58155	36252	54226	228420	223432	89759	45317	70364	37095	201955	39565	92750	60813	55150	56526	73397	75189	59823	215823	60055	78035	38688	66210	140442	111328	35520	804	0	0	76759	84412	0	76082	62661	72758	79208	30325	0	35884	17037	20553	61344	5038	29477	70230	67242	29337	27711	15567	34272	35538	74403	164784	276374	275415	62760	56271	61354	59682	58866	0	35592	44400	72274	39781	19108	14506	98230	22629	18141	43986	38644	34447	97615	78769	43826	101248	75240	131807	504	70054	78361	22935	16768	20965	76695	36773	80981	28449	57816	21211	0	39173	32095	Phytochemical	0.25	1.25	0.05
22	C17 H29 O5 N1 S1	360.18393	360.18433	0.074879475	360.18396	9067	9959	7959	11441	2863	2959	2141	24090	0	1918	1305	5626	0	0	10247	65943	0	2541	2947	1896	2993	16927	54007	291722	11157	0	2361	1687	8667	9781	15773	14176	8756	17329	0	8336	8951	7773	1540	1975	0	0	0	0	0	44545	0	0	9252	8489	10909	10250	1532	0	0	0	1209	82809	2171	0	87626	1323	0	0	0	2850	3410	4822	0	0	1810	12389	6605	4651	4863	7084	0	7914	6186	2924	24395	6385	0	0	2636	2039	7271	2009	3769	7976	11454	5928	77769	2477	5019	0	9610	11267	0	0	0	5117	4274	1993	4790	33709	0	0	11216	1673	Organosulfur	0.29411766	1.7058823	0.05882353
24	C17 H29 O5 N1 S1	360.18393	360.1843	0.09773829	360.18396	3613	4064	5083	4110	993	1931	1366	7155	0	0	0	3968	0	0	1499	4357	3029	2423	3383	0	0	2650	9647	14855	1281	0	9844	0	8255	43836	11335	16681	14479	19702	0	9981	9083	1449	3209	0	0	0	0	0	0	4047	0	0	4209	18534	3691	3871	0	0	0	0	0	6941	0	0	7850	0	0	0	0	0	2532	3528	0	0	0	5951	12485	11701	7287	18498	0	7476	8456	1590	7571	732	1158	0	0	0	3505	1755	1640	22662	2707	3357	16887	1445	3531	0	4145	3908	0	0	0	20983	2209	1275	1807	8402	0	0	1563	0	Organosulfur	0.29411766	1.7058823	0.05882353
20	C17 H29 O5 N1 S1	360.18393	360.18427	-0.047434513	360.1839	1847	1699	1460	2167	3546	1535	0	3991	0	0	0	0	0	0	0	6094	1274	0	2535	0	0	4631	0	37717	0	0	1119	0	1755	0	3046	0	0	2501	0	2913	0	1204	1476	0	0	1924	0	0	0	9308	2494	0	2389	1498	2563	2800	1312	0	0	0	1107	13425	1568	1361	9079	0	0	0	0	2699	3390	2775	0	0	0	1481	0	0	0	0	0	1224	0	3021	0	0	1577	0	2585	0	1439	1347	2195	0	6016	4000	5629	0	3228	0	0	4615	1203	0	0	2831	1459	1799	2141	3314	0	0	1374	0	Organosulfur	0.29411766	1.7058823	0.05882353
6	C16 H29 O4 N3 S1	360.19516	360.19525	0.004401289	360.19516	0	731	907	904	0	6224	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9793	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	913	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59574	0	0	0	0	0	0	0	0	0	0	93098	17638	0	5812	0	0	873	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.8125	0.1875
10	C17 H29 O7 N1	360.2017	360.2022	0.034158114	360.2017	19258	17400	23208	19135	13701	13739	20917	28741	11667	12805	5398	16609	20799	9470	22109	27111	23382	18079	24391	31277	16796	17302	24189	33465	26234	11752	12701	8992	33566	28364	25435	21128	29445	16313	16759	29039	28087	13706	21629	6694	9989	17878	757	0	0	20863	19263	0	27616	25554	23335	21452	11799	350	20841	13972	7733	29922	16836	18499	27064	8580	17714	14492	12914	17971	11823	24738	11085	11460	8227	18460	20309	31736	22633	23281	0	19426	24281	13274	16441	10956	22529	10171	23475	12628	23345	10245	15249	24232	22955	25947	34479	7959	16759	0	19846	24239	10756	17740	27006	29684	16370	41314	0	21239	16960	0	16752	18255	Lipid	0.4117647	1.7058823	0.05882353
8	C17 H29 O7 N1	360.2017	360.20224	0.00320277	360.2017	17907	15464	12564	19253	9643	8457	11231	22181	5866	8979	3890	9990	14699	5361	13059	21192	12676	11200	15056	13300	8928	18919	13941	21587	11952	6337	9601	5921	24416	19553	17468	21762	19245	14108	12677	17660	22802	11078	14057	6580	6760	9658	1238	0	0	13723	8114	0	21736	18082	14511	15912	7429	0	13395	11400	5278	20357	11563	8281	23488	4268	10789	9734	11870	10976	7159	12528	3989	4556	6392	14175	17995	17420	14437	17935	0	12148	12810	7551	9093	8771	10452	6746	10427	7222	13979	4819	9287	18773	29832	42438	29503	3386	9632	0	15285	17396	6226	13690	12456	23991	10043	20914	0	14509	9504	0	9794	11436	Lipid	0.4117647	1.7058823	0.05882353
4	C17 H29 O7 N1	360.2017	360.20236	-9.44E-5	360.2017	74568	31952	35060	31186	4442	5495	135264	11385	5801	7564	226263	9381	8356	5789	10094	14374	26482	7127	8168	7577	7461	10151	9113	9675	10435	105383	415879	63426	10220	6843	8372	10318	10833	6541	10734	10713	11714	17954	22736	4536	95505	3974	0	0	0	4472	90215	0	10513	9315	36154	31086	5170	0	8919	31404	9388	9931	4971	18327	11907	49396	19256	5533	1688132	7074	5164	51311	328284	17232	144227	7843	7425	9798	11840	7871	0	5611	12492	126631	27137	273019	14416	10661	7345	4641	13692	4930	5356	27591	63106	51626	17874	130560	12559	0	34614	73680	63508	5471	5885	10265	7642	11413	36767	8403	5598	0	22272	10209	Lipid	0.4117647	1.7058823	0.05882353
6	C17 H29 O7 N1	360.2017	360.20227	-0.018188408	360.20166	12976	15381	13286	12482	5002	6757	12208	18538	7827	8676	6918	8640	8903	5671	13530	19931	8261	7810	10579	12172	10675	16035	10752	17548	9604	3505	13525	6530	17634	14086	15423	17894	19468	15737	13220	18074	17494	9344	9444	5450	8302	6833	0	0	0	10685	10576	0	20325	15652	13873	10628	7143	0	10975	6430	4589	20348	9192	4304	17477	3129	10132	9037	27791	8780	8884	13088	5621	7054	7391	12645	11034	16282	6281	12199	0	7885	7765	5406	6953	8884	7010	3863	6628	5300	11752	5038	9676	17573	55102	27114	21623	6003	7232	0	11855	14177	6004	6986	10030	18461	7275	18513	0	13920	5627	0	8635	13463	Lipid	0.4117647	1.7058823	0.05882353
16	C23 H25 O1 N3	360.20703	360.2069	-0.68175405	360.2068	0	1527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1535	626	0	0	0	0	0	0	1443	0	0	818	0	0	1251	0	0	0	0	0	21571	0	0	0	0	0	0	0	1305	2026	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1245	0	0	0	0	0	0	0	1389	0	0	34344	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.04347826	1.0869565	0.13043478
0	C16 H29 O6 N3	360.21292	360.21356	-0.15256603	360.21286	3810	3530	3872	3049	6894	17596	2307	4298	6475	0	0	2891	0	0	3112	0	6045	4606	9343	0	1284	3111	3068	2178	1932	0	0	2547	4920	1920	3370	3683	8918	5076	1745	4282	5988	1632	6925	0	0	3519	0	0	0	0	0	0	4706	2619	3592	3654	5695	0	3878	1553	1381	5327	559	0	3203	0	2591	2979	14968	5226	7052	7789	0	0	0	3141	9144	3345	0	3208	0	2795	3478	23509	2507	0	0	0	3160	3875	8114	3766	4324	8419	3654	2253	8202	1303	0	0	3130	4324	4524	1146	3025	4053	2486	0	0	5700	7308	0	2168	5171	Peptide	0.375	1.8125	0.1875
14	C16 H29 O6 N3	360.21292	360.2134	0.0785284	360.21295	1690	0	0	0	0	0	0	0	0	0	1565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17201	0	0	0	0	0	0	0	0	0	0	1517	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2913	0	0	0	0	0	0	0	0	0	2997	0	0	0	0	1110	0	0	0	0	0	0	29342	0	0	0	0	0	0	1306	0	0	0	160644	68538	0	5003	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1333	0	Peptide	0.375	1.8125	0.1875
12	C16 H29 O6 N3	360.21292	360.21326	-0.02201056	360.2129	2321	4214	4933	2290	0	0	0	0	0	0	4217	0	0	824	0	1494	0	0	0	0	0	0	0	0	0	0	0	69811	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4035	2699	0	0	0	0	0	3703	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	310004	0	0	0	0	0	0	0	0	0	0	453247	254708	1855	23680	1463	0	3271	3211	0	922	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.8125	0.1875
6	C16 H29 O6 N3	360.21292	360.21353	0.12607872	360.21295	74646	73355	70247	73199	2795	36470	1302	4475	1848	21961	59424	964	6859	2164	4084	9279	1892	6916	3906	0	0	7557	2236	4580	5183	0	2554	682648	8425	2500	3975	6606	10503	2673	4132	3654	7370	3312	3512	0	568	7069	0	0	0	0	1668	0	6630	1532	72535	68258	2891	0	2198	1133	1539	9411	0	0	5963	0	4035	1738	912	5229	2893	2254	0	0	0	4062	4134	2178	1240	2129	0	1778	2113	1306137	1157	0	422	0	1127	1792	3435	4611	4608	5122	5113792	3952827	6046	175185	35933	0	69511	62255	1963	798	1023	5882	3440	4598	0	4495	652	0	2528	5017	Peptide	0.375	1.8125	0.1875
18	C16 H29 O6 N3	360.21292	360.2129	-0.08316964	360.2129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37302	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8166	0	0	0	0	0	0	0	0	0	0	24629	10544	0	0	1638	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.8125	0.1875
2	C16 H29 O6 N3	360.21292	360.2136	0.01176856	360.21292	26217	21814	20143	22885	9943	82663	4056	8364	9959	3127	19601	4411	10660	4830	6661	5864	6480	10346	17041	1901	1387	6623	6321	9307	5504	0	2322	243637	12823	8945	9856	10598	15512	8376	3171	12905	10844	3974	8447	1056	582	8836	0	0	0	2365	1578	0	13574	5655	25800	23874	11516	0	6945	2220	12913	11466	983	552	7142	325	5733	5806	15812	15257	28495	8010	0	971	0	7712	16663	11956	1773	12401	0	3437	9215	1847906	3575	0	994	263	5248	13734	39267	10306	15823	14730	382873	385776	21269	156544	2558	0	24190	23283	8062	3045	6185	8453	4583	2112	345	11608	7553	0	5196	10954	Peptide	0.375	1.8125	0.1875
4	C16 H29 O6 N3	360.21292	360.21356	0.0635881	360.21292	45372	50325	47248	42861	2390	17237	1131	3549	2269	6299	57829	1282	4786	1248	3142	6193	1858	5367	3578	828	848	5886	1868	3805	3214	0	2581	460229	4244	2392	4358	3649	5457	2615	2018	3009	5170	2310	3784	0	0	6024	0	0	0	1228	0	0	4751	2291	47185	36614	2518	0	2883	948	858	5353	727	0	3026	0	3816	1582	5331	4103	1947	2509	0	0	0	3056	1981	2226	1388	1067	0	2015	2152	1867080	1259	0	650	0	1282	2384	3321	2324	2470	3137	3348211	1638636	6425	231897	35467	0	42652	45585	1698	1268	1495	3592	2071	1965	0	3980	1927	0	1781	5770	Peptide	0.375	1.8125	0.1875
22	C21 H29 O4 N1	360.21695	360.2174	0.062018856	360.21695	52797	54422	46299	50244	39286	57259	29463	50105	27635	57645	68392	27995	21977	21626	25182	63945	69054	27234	41950	92901	98897	72655	30982	56551	35701	133008	29941	67198	50973	44761	42550	52882	55281	51738	67574	53841	44541	27255	61609	74898	111366	53795	0	0	383	52022	59761	0	51969	41324	49698	49530	34606	664	23335	27902	22621	50843	33558	55757	60030	41759	20522	19808	17778	30955	47592	64533	102477	111675	138619	45837	42108	43931	48160	43565	0	26283	35395	54921	24068	35184	33618	52218	30053	21750	45201	37163	30409	142297	82871	81681	92054	53295	60545	0	39958	51717	22393	20794	24034	71139	26403	72496	30974	62803	22941	0	41762	32052	Lipid	0.1904762	1.3809524	0.04761905
8	C21 H29 O4 N1	360.21695	360.2175	0.03970173	360.21695	103450	125883	113103	107142	7039	24887	132843	236594	5135	97891	75412	148113	2959	4084	124640	214445	225594	13289	34187	168683	140366	39066	109553	158032	103047	37220	169151	60278	231369	222882	211943	282334	243006	252701	104115	252692	259747	130538	258967	109106	31252	52891	0	0	0	65568	66816	0	298599	221935	111503	109704	27003	0	6144	1947	24859	150288	0	1464	174096	42164	3209	10709	27539	18673	50657	308100	28865	56751	55200	252147	248921	217392	248999	252537	0	153966	116623	56458	110665	4935	8888	98301	4630	21069	66145	55220	65963	143467	65420	0	158854	44033	78120	0	114821	108968	5742	2020	1947	270067	117806	181711	21210	160840	2994	0	95253	5578	Lipid	0.1904762	1.3809524	0.04761905
16	C21 H29 O4 N1	360.21695	360.2174	0.044516336	360.21695	17420	17687	21039	17412	6513	6227	12631	15816	5631	20763	21646	13085	2431	6204	9056	22785	20495	4746	6622	37457	35278	9863	8547	19544	12189	43983	13630	21509	12713	15464	13687	23551	14750	14916	35365	16298	20235	8353	27814	24390	24926	10772	0	0	0	9978	16702	0	18306	15054	16547	16241	5833	0	2716	3906	6208	22191	0	12584	24271	8090	2949	4645	3604	4053	9619	26715	28857	50989	48642	13877	15547	15662	23894	14923	0	8269	9767	13781	11064	4236	6459	16466	4091	3968	14445	7886	8986	42243	26649	11889	0	13292	22944	0	16702	17698	3900	3581	5146	23003	7851	12054	3530	16258	3358	0	13512	4289	Lipid	0.1904762	1.3809524	0.04761905
10	C21 H29 O4 N1	360.21695	360.21747	-0.012835829	360.21692	56403	56643	56249	51886	9556	18490	38514	106490	5584	71686	44624	64981	7023	6344	48584	124543	77694	11089	25051	111231	93638	34611	64175	112080	51963	57469	50256	38332	74098	91623	79532	97631	95816	74322	81840	83553	98213	50349	85905	64976	16892	26974	0	0	0	50390	39844	0	109453	76250	61791	60385	18656	0	4804	3006	11980	126997	0	2981	119070	21461	4601	6277	17820	12918	26143	118082	37453	82936	74207	96906	88968	82396	89328	78088	0	62234	61488	23184	61807	3664	1885	36199	4076	8384	58412	30819	31146	101526	45440	0	109269	24862	63753	0	68171	59984	4878	2782	2163	98108	51825	47894	15805	92492	3538	0	52765	6761	Lipid	0.1904762	1.3809524	0.04761905
20	C21 H29 O4 N1	360.21695	360.21735	0.020900521	360.21695	41251	43028	41516	38236	25721	16677	29822	32929	16474	47178	43095	27304	21209	18267	19865	50772	63151	22025	31169	77754	65138	54353	21564	43980	27537	97238	25096	38077	41552	36432	26869	40864	34283	39093	48294	32115	37961	21943	53831	55199	81821	21555	1414	923	422	33472	52258	1020	40357	40582	39381	39799	20490	893	10164	20339	14344	49728	21077	44978	50724	27228	12412	9669	13078	27936	21177	58968	79687	83036	117537	27791	34601	31745	52585	31659	756	20975	34498	48704	23599	19861	26625	46744	17678	17707	42804	26908	20450	168408	66465	58047	73497	41745	42166	949	34021	47019	19082	25388	21424	47403	21021	49523	18459	49553	17565	889	35433	18874	Lipid	0.1904762	1.3809524	0.04761905
12	C21 H29 O4 N1	360.21695	360.21747	0.037373204	360.21695	28561	25537	30333	28119	5300	15460	13963	41625	4424	44480	26757	18660	2724	6019	19873	53654	27073	6310	13671	78089	63239	15881	20185	38741	19827	53705	20164	26836	33027	29063	32141	36759	42968	30259	61974	31193	40716	20239	27058	39654	11073	14658	300	0	0	19131	15617	0	41285	34745	26953	21423	11139	0	4982	3897	6107	39850	0	0	34357	11395	3191	4327	4786	9503	15531	45899	28943	81779	65213	34504	33398	30229	28658	30415	0	24080	16917	0	20770	1433	1705	21308	2361	4536	16936	10517	13258	48462	30237	2661	42816	16356	29461	0	24302	26044	4269	2137	1880	30565	18377	15855	0	46745	2424	0	18344	4174	Lipid	0.1904762	1.3809524	0.04761905
14	C21 H29 O4 N1	360.21695	360.21744	0.046113826	360.21695	13330	14201	13119	11147	5888	6412	6606	15581	2164	32533	21398	9814	4407	5889	6285	19857	14026	6849	6924	50967	39398	7263	7103	16210	10006	44069	9046	21045	9789	15474	10830	15274	22791	14011	38774	15130	19330	7574	18273	26416	11760	7678	0	0	0	11555	11814	0	15573	14292	17298	12810	5507	0	2763	2807	3680	21222	0	0	0	10495	2647	2594	3447	4836	10091	22319	20595	63114	45644	13423	16354	12061	14983	12270	0	9027	6565	0	7332	2183	3293	19371	3150	2449	11075	8205	7375	29721	34838	4651	23007	11386	24252	0	14472	13667	3480	2702	4457	15605	7851	8139	0	14717	2970	0	9099	2591	Lipid	0.1904762	1.3809524	0.04761905
4	C21 H29 O4 N1	360.21695	360.2176	-0.057704274	360.21692	12364	14708	13834	10654	499	10168	12501	30556	551	11617	5527	14343	344	550	14478	26490	22526	1714	3218	20065	17611	11625	10897	24560	12961	6066	12353	3875	20220	20044	20274	23986	20564	16347	14688	24831	18119	12733	22156	13410	8762	5454	0	0	0	11540	10276	0	24886	25262	13029	11250	2542	0	498	389	3148	17061	0	0	22605	7128	349	670	2565	1953	4397	28704	3324	6661	6441	21324	17457	28708	24358	18614	0	15146	13041	5944	13974	1719	2666	10679	0	2072	8039	5424	5731	20368	7774	0	28972	7464	20117	0	12913	14868	0	0	452	18275	11488	22156	4430	17533	307	0	11725	385	Lipid	0.1904762	1.3809524	0.04761905
18	C21 H29 O4 N1	360.21695	360.21738	-2.46707E-4	360.21695	23393	27580	24229	16924	10113	12157	14568	21110	6110	31662	33124	13374	9110	9436	13021	29271	40296	9786	16128	42369	43053	24653	15662	22284	13344	66037	18263	33791	20328	21065	17376	23826	20923	27232	30703	17068	21695	16096	32907	33440	38731	7263	463	826	0	15749	26288	408	24927	15946	21088	22318	9236	499	5313	3792	10009	21046	9717	24103	23865	20514	8330	7025	5980	9049	13409	46171	43081	54579	72898	14096	14256	15432	32973	19771	408	11547	15974	22486	13041	13075	14019	23033	6940	8521	24967	14924	13046	66708	35064	33865	33631	21531	32313	593	21144	21824	7220	12760	17623	27271	10113	18798	11471	22891	8666	623	19709	4926	Lipid	0.1904762	1.3809524	0.04761905
28	C18 H33 O4 N1 S1	360.2203	360.22052	0.15683535	360.22037	888	0	910	822	1492	1762	1114	0	3427	1214	5731	0	0	2320	0	0	0	0	0	0	0	0	0	0	3242	0	2542	36849	0	0	954	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1522	0	0	1774	1256	0	0	0	3985	22710	0	0	0	0	3235	0	1625	972	4862	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2046	1341	0	0	0	0	3586	858	2556	1067	0	0	0	0	842	0	0	0	0	0	925	3126	0	948	1558	0	3356	0	Organosulfur	0.22222222	1.8333334	0.055555556
10	C20 H29 O3 N3	360.22818	360.22858	0.009463634	360.22818	1264	1590	2741	1917	0	0	5365	4582	0	0	0	3274	0	0	1920	2796	4980	0	0	0	2351	2928	881	3034	4910	0	2730	0	1731	3652	1968	3403	4366	2451	0	2911	5079	2008	7010	0	0	899	0	0	0	0	0	0	1763	3317	2736	1898	0	0	0	0	0	4488	0	0	0	0	0	0	978	0	0	6046	0	0	0	3834	2653	2235	1697	2697	0	3878	2330	0	2309	0	0	0	0	699	1702	907	1234	26043	3725	0	20480	0	0	0	1419	1950	0	0	0	4419	2430	0	0	6912	0	0	5662	0	Peptide	0.15	1.45	0.15
14	C18 H33 O6 N1	360.23807	360.2385	0.06652502	360.2381	0	2130	1748	2767	1280	2209	0	3153	7814	0	0	0	0	2284	0	0	4892	0	0	0	0	0	1181	0	0	1742	1864	0	2856	2592	0	0	2165	2100	0	2139	0	1220	4907	0	0	1715	0	2169	1120	0	0	1571	1842	4008	0	0	0	1847	12685	974	677	2232	0	0	0	0	0	6183	3302	1748	1796	5536	0	0	0	1433	1621	2781	2401	0	1417	0	2516	0	2784	1632	4048	3668	74375	26475	3975	2002	0	7177	3994	0	4096	0	0	1792	2482	2448	1747	25464	26821	0	1137	0	0	0	32419	2743	1469	2641	Lipid	0.33333334	1.8333334	0.055555556
18	C18 H33 O6 N1	360.23807	360.23843	0.11104709	360.2381	3689	4095	3946	7039	1809	2290	52290	6207	2854	0	0	1858	2612	6515	2899	5733	7643	1911	0	0	0	1905	2401	3761	4596	4934	30057	3231	5578	6466	2825	4873	4572	4198	3184	6052	4048	2991	8820	0	0	5414	2420	433	0	0	0	787	6313	3461	3195	4255	2130	1622	2025	0	1216	5935	0	2436	7187	0	2011	1724	8468	4098	6570	13435	0	0	0	2282	3800	6082	5006	4870	0	2059	7233	5491	1175	1312	57308	36700	1556	3023	6281	2784	3658	8171	12148	6320	5226	3818	1686	445	4860	3175	1750	1349	6953	4494	2590	2704	1331	16073	3143	0	2617	1832	Lipid	0.33333334	1.8333334	0.055555556
22	C18 H33 O6 N1	360.23807	360.2385	0.05930397	360.2381	11490	15896	10380	8994	12699	16556	112491	6396	5556	5750	5499	5351	8657	25729	7824	12033	34109	13088	10692	3832	0	3823	4303	10164	13775	6660	63786	17730	12682	13797	8179	17817	15473	17013	2198	12439	16381	6158	41529	3793	4569	10890	8745	0	410	6155	10309	0	10343	17842	14606	16087	8794	1572	9262	5293	6463	13613	2884	26668	14301	2634	7984	7998	26851	28695	25857	29930	2340	3739	5063	10028	9389	9227	11701	13843	746	5643	7460	28261	3331	4911	64014	40365	6097	9372	11243	13174	9826	15897	63550	43495	11728	6202	14340	0	14688	11618	9908	3063	5640	15077	5034	15968	13501	11227	5209	0	13392	13345	Lipid	0.33333334	1.8333334	0.055555556
24	C18 H33 O6 N1	360.23807	360.2385	0.10767894	360.2381	10390	10127	10909	9827	38519	11023	29315	7229	7000	3748	6640	2503	16159	24625	4772	9956	13603	13225	16284	3100	3456	1552	4512	8456	6931	0	21975	20274	13603	7095	6539	11521	15868	13715	6014	13053	12572	6137	15175	3177	0	9578	6525	0	0	1387	5746	0	11057	3824	10888	12494	27217	0	11518	5945	7044	12713	9847	6754	11234	3767	9846	4900	11894	23543	37520	18600	2733	0	1889	4648	9196	8997	7594	8731	0	7827	3470	42199	6308	6817	14735	9856	2432	6545	5475	7781	8728	6999	65283	42376	10669	6115	3262	0	13281	13879	11718	2430	9738	10181	9727	7252	25368	9370	25937	0	9023	10449	Lipid	0.33333334	1.8333334	0.055555556
20	C18 H33 O6 N1	360.23807	360.23846	0.07272853	360.2381	20115	18044	17651	21309	4348	6187	148009	14708	2938	0	6364	11029	4516	13360	12425	62003	34744	4466	3460	0	0	48466	14483	119493	121473	8527	103453	9713	27431	10671	6345	15152	12213	11380	1877	9572	11965	11791	35597	0	2112	19954	6586	0	0	13766	4820	632	16521	8437	16617	19011	3973	1833	3452	3958	7885	69540	0	7753	49806	0	6298	4560	29382	12582	64939	35444	0	3201	2124	4018	7993	8100	23386	11024	383	7148	19897	15811	24240	27834	107238	48673	3049	14287	20429	11736	18139	114131	34207	19176	276799	2505	2311	0	20242	26838	3711	3140	7332	11955	10306	0	16055	90450	2469	0	109115	2616	Lipid	0.33333334	1.8333334	0.055555556
6	C18 H33 O6 N1	360.23807	360.2387	0.10196297	360.2381	4607	4331	4362	3892	1014	1177	23727	6014	0	1231	24992	3299	606	1181	3815	7304	6825	610	644	3585	977	0	2506	1727	4300	1448	38143	29926	5707	6006	5432	5576	4884	2652	2171	5772	1842	3272	4106	0	1081	929	0	0	0	0	11598	0	4743	4873	6048	4632	1246	0	879	1710	2551	5559	0	0	8205	6662	2762	0	32167	2719	1928	7663	32292	4412	11158	3593	2651	6919	3663	3808	0	3367	1547	22978	1182	1483	0	0	0	0	8468	1922	1668	18914	0	4209	9273	5517	4632	0	3586	4876	2188	0	612	3620	2963	1859	0	2509	0	0	2788	652	Lipid	0.33333334	1.8333334	0.055555556
16	C18 H33 O6 N1	360.23807	360.2385	0.17364423	360.23813	0	2657	3547	3116	1417	1669	10015	2532	0	0	0	2507	0	3890	2630	3541	6816	0	0	0	0	0	0	1882	0	4083	11202	0	3735	2867	0	0	3187	3030	0	3177	3064	1019	8830	0	0	0	840	324	0	1153	0	391	2763	2876	0	1890	2169	644	0	2165	1055	2694	0	1462	0	0	0	1349	3228	2403	3473	9662	0	0	0	0	2112	5211	3978	2663	0	1148	1524	12989	0	0	29713	23083	7761	5025	3602	2012	1415	0	9120	0	0	0	0	0	3248	2114	0	5428	8033	3737	2202	0	0	0	4265	384	2047	2038	Lipid	0.33333334	1.8333334	0.055555556
4	C18 H33 O6 N1	360.23807	360.2387	0.061493926	360.2381	1354	1714	2568	1832	0	958	1784	5130	0	1585	0	1369	347	1147	1302	4331	3209	347	555	1031	0	568	962	1802	2467	556	3552	4292	2267	1848	2014	2499	1559	1601	1198	3287	2563	1138	2903	0	862	1019	0	0	0	0	1106	0	2962	4207	1433	2070	759	0	582	505	639	3247	0	0	6737	2428	2263	0	26702	678	1658	2631	6181	4061	0	1248	1405	2575	1734	1078	0	1529	1824	0	872	913	643	0	0	979	4323	662	510	3722	3429	2320	4785	637	1730	0	2114	2225	1190	0	0	2828	1298	1837	0	1523	461	0	1349	854	Lipid	0.33333334	1.8333334	0.055555556
10	C16 H30 O1 N7 Na1	360.24823	360.24863	-0.8232508	360.24792	0	0	3156	0	0	0	0	0	0	19547	0	0	0	0	0	0	0	0	0	0	3668	0	0	0	0	0	0	0	0	0	0	0	0	0	2129	0	0	0	0	31884	0	0	0	0	0	5227	6751	0	0	0	6235	0	0	0	0	0	0	0	42725	0	0	34660	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4926	0	0	0	0	0	0	459514	0	0	0	0	0	Unclassified	0.0625	1.875	0.4375
12	C16 H30 O1 N7 Na1	360.24823	360.24847	-0.8782935	360.24792	15896	18071	20419	22601	0	0	0	0	0	43272	0	0	0	0	0	0	0	0	0	0	10913	0	0	0	0	0	0	0	0	0	0	0	0	0	1874	0	0	0	0	32221	19382	0	0	0	0	45358	66287	0	0	0	16653	21156	0	0	1395	0	0	0	337508	0	0	0	0	0	0	0	0	0	0	0	0	2705	0	0	0	0	0	0	0	0	0	0	0	3270	0	0	0	0	0	0	0	0	0	0	0	0	19697	17930	0	0	0	0	0	7348	0	0	0	0	0	0	Unclassified	0.0625	1.875	0.4375
8	C17 H33 O5 N3	360.2493	360.2497	0.09184163	360.24933	1264	1792	1110	0	0	0	0	1108	0	0	0	0	0	0	0	2971	0	0	0	0	0	1462	0	2422	0	0	656	3983	1271	833	0	1957	944	2329	0	827	0	687	0	0	0	624	0	0	0	1602	0	0	2713	0	1067	895	0	0	0	0	0	2121	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1046	795	1182	1363	0	0	0	11656	923	0	0	0	0	0	907	0	1297	2744	101842	56057	3124	0	0	0	928	1357	0	0	0	0	0	0	0	0	0	0	1260	0	Peptide	0.29411766	1.9411764	0.1764706
12	C17 H33 O5 N3	360.2493	360.24957	0.09421803	360.24933	0	0	0	0	0	1528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1436	0	3998	0	0	9026	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2027	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8341	0	3459	0	0	0	0	0	4565	0	0	3873	214272	86998	2907	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7550	0	Peptide	0.29411766	1.9411764	0.1764706
10	C17 H33 O5 N3	360.2493	360.24985	0.28831	360.2494	7463	11393	9269	0	0	17526	0	0	0	0	22801	0	0	0	0	0	0	4119	0	0	0	0	0	0	0	0	0	50478	0	942	1202	0	1308	1218	0	0	0	0	0	13778	0	2585	0	0	0	3753	9496	0	0	0	6549	6814	0	0	0	0	0	0	0	0	0	17124	0	0	0	0	0	0	0	0	0	1290	1017	0	0	1051	0	0	0	119008	0	0	0	0	0	0	0	0	0	0	803279	337284	0	9439	0	0	7303	7525	0	0	0	0	0	0	0	1477	0	0	0	0	Peptide	0.29411766	1.9411764	0.1764706
6	C17 H33 O5 N3	360.2493	360.2497	-0.21033864	360.24924	1525	1213	1875	2357	0	2928	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	896	984	0	0	0	0	0	0	0	0	606	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1821	2041	0	0	0	0	0	1477	0	0	0	0	0	0	0	0	0	0	0	0	0	0	653	636	0	0	0	0	0	5104	0	0	0	0	0	0	787	0	0	0	271242	110620	0	0	0	0	2795	1593	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29411766	1.9411764	0.1764706
26	C22 H33 O3 N1	360.25333	360.25366	0.098438315	360.25336	8846	8068	7366	8847	5885	4142	3739	7597	2940	3264	6422	0	4794	4147	0	6483	7348	0	4646	0	0	4646	0	7678	20536	17035	3008	7216	7521	8056	5555	6686	3980	5976	4061	6052	3350	5585	5594	4576	5772	0	0	0	0	0	0	0	6725	0	8662	5383	5622	0	0	0	0	9305	2674	4980	11208	2995	0	0	0	5237	5754	8122	10852	5123	7947	3186	4717	0	0	5739	0	4253	19685	10587	0	2714	3677	7523	0	0	178786	2903	2598	208061	8634	8796	11808	5344	0	0	7446	7463	3795	5016	5307	10146	3365	5668	0	5708	5685	0	27245	0	Lipid	0.13636364	1.5	0.045454547
8	C22 H33 O3 N1	360.25333	360.25388	0.05727962	360.25333	6712	7688	8549	6534	4824	29018	3260	10152	0	3216	2502	7918	0	2008	8123	17879	6850	9101	38710	5387	4533	2970	6878	12297	9377	0	6276	0	9459	9585	9310	11222	10952	8557	2687	9851	7574	6620	6277	5814	0	2990	0	0	0	3186	2063	0	10447	12406	8428	8168	3741	0	0	0	1328	13066	0	0	12193	1370	0	0	0	0	3685	11284	0	0	0	11213	8448	12276	10955	10835	0	6538	6189	4079	3799	0	0	3961	7478	0	4716	2439	3329	120294	12388	0	54112	3876	8970	0	8882	10520	2009	0	0	8967	5320	3722	0	17233	0	0	6287	0	Lipid	0.13636364	1.5	0.045454547
22	C22 H33 O3 N1	360.25333	360.25372	0.010665587	360.25333	2663	2819	3404	3239	2598	3643	2178	2011	0	0	3539	1335	0	0	0	4472	3952	0	1622	0	0	5115	0	4433	7757	2495	2811	1552	2313	6662	1140	3985	2381	1908	2869	5434	3205	2136	7805	0	3779	2621	0	0	0	1825	1368	0	4756	2486	5767	5748	2346	0	0	0	0	6261	0	2925	9237	0	0	0	0	0	2586	6268	0	0	2654	0	1037	2746	6131	2952	0	0	5788	5157	0	0	2360	0	1519	0	52276	1391	1134	114726	10355	5532	8892	4115	3771	0	4193	3793	0	0	2906	2527	1712	4104	0	8031	1845	0	14793	0	Lipid	0.13636364	1.5	0.045454547
12	C22 H33 O3 N1	360.25333	360.2538	0.08580229	360.25336	4911	4775	7667	7822	0	2558	2797	17162	0	6375	5974	4951	0	0	5020	13106	7055	0	0	13759	9890	0	4832	13643	8281	2928	5741	0	11492	12896	12892	14601	11394	9863	8264	17324	11040	5169	2622	3955	0	1789	0	0	0	2019	5487	0	12846	14280	8092	3832	1258	0	0	0	0	12741	0	0	0	0	0	0	1512	0	3353	14840	0	4945	3117	9362	9952	18883	11691	10369	0	5210	3052	0	4551	0	0	5050	0	0	2757	2765	4609	39513	12685	0	44256	0	10845	0	5843	5022	0	0	0	7094	6628	0	0	20757	1097	0	3395	0	Lipid	0.13636364	1.5	0.045454547
14	C22 H33 O3 N1	360.25333	360.25378	0.04795326	360.25333	4926	6141	5472	5341	0	3995	4769	12365	0	7544	2978	5917	0	0	4316	7747	3573	0	0	4866	5784	0	4087	7496	6525	3637	14220	0	7586	14793	10767	13589	12597	10676	3204	13737	9221	6058	2270	4032	0	2967	0	0	0	2110	0	0	13215	11069	1916	3596	0	0	0	0	0	8090	0	0	0	0	0	0	700	0	1467	4668	0	5089	3357	12779	11724	11310	8278	12481	0	8641	1852	0	2775	0	0	4978	0	0	1644	2599	3387	51117	5725	0	34736	2909	7995	0	5331	2816	882	0	0	7724	6639	2904	0	12711	0	0	1728	0	Lipid	0.13636364	1.5	0.045454547
10	C22 H33 O3 N1	360.25333	360.2538	-0.07125579	360.2533	8878	5432	6623	6434	1214	1197	3999	17099	0	7908	5644	8513	0	0	10339	16426	6094	0	2543	10077	8453	1803	6727	17855	12891	6931	8660	5695	14432	15390	10444	19284	19071	13525	8431	14441	19192	6940	5676	6849	0	2799	0	0	0	4695	5755	0	16043	15367	9704	9686	1854	0	0	0	1156	12787	0	0	12607	1199	0	0	0	1137	3523	17192	0	6085	5774	16042	15520	20345	12798	13532	0	9376	4438	6063	4620	0	0	5881	0	546	3664	3273	3334	35262	14857	0	36979	2164	14740	0	6026	7858	0	0	0	19756	6773	3749	26503	15888	888	0	6218	0	Lipid	0.13636364	1.5	0.045454547
24	C22 H33 O3 N1	360.25333	360.25372	0.06121408	360.25336	8335	6110	8934	5437	3579	2938	4565	8520	1388	2125	5220	3159	2714	4072	2162	10947	13514	1290	0	2771	1932	4093	1670	4982	13666	16409	4511	4878	7756	10735	8430	5357	5423	5501	1697	6908	4296	4426	13098	2663	8725	2750	0	0	0	4065	4443	0	9598	6907	5023	2751	2246	0	0	6613	1904	10470	2262	6916	9551	1202	0	903	0	3372	4253	15679	9662	3787	8306	3367	6369	8482	11204	10050	0	2238	10231	7016	3853	2294	5756	4518	3490	0	42644	2646	1902	142196	6144	11919	11946	3203	5712	0	7340	5765	6099	6403	5582	4866	2597	6267	1957	6360	5213	0	18280	1172	Lipid	0.13636364	1.5	0.045454547
26	C19 H37 O5 N1	360.27444	360.27478	0.23717383	360.27454	3528	0	2034	2748	4215	2702	29990	0	0	0	5296	0	0	9405	0	0	0	0	0	0	0	0	0	0	0	0	15250	29377	0	0	0	7220	3100	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2023	0	3317	3284	6543	0	0	0	9610	0	0	0	0	0	3016	0	25238	4112	5551	0	0	0	0	0	0	0	0	0	0	0	1881	41767	0	7362	5342	6463	5235	26371	0	0	0	0	14525	22881	0	5173	0	0	3310	0	13351	3333	16099	0	0	0	21057	0	31950	0	0	3147	Lipid	0.2631579	1.9473684	0.05263158
18	C19 H37 O5 N1	360.27444	360.27493	0.085876666	360.27448	0	0	0	0	0	0	0	0	0	0	1571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19853	0	0	0	0	0	0	0	0	0	0	93584	13090	0	2939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2631579	1.9473684	0.05263158
24	C19 H37 O5 N1	360.27444	360.27472	0.16337945	360.2745	0	2132	1045	0	0	1339	28697	0	0	1241	0	0	0	8102	3130	0	0	0	0	0	0	0	0	0	0	0	19710	8272	1899	0	0	0	0	0	0	0	0	1512	0	0	0	0	2822	0	0	1035	0	0	1767	0	1756	1323	0	0	0	0	3417	0	0	952	0	0	1338	0	9535	3486	0	0	0	0	0	0	0	0	0	0	0	0	0	7792	0	1293	4939	3747	1420	7512	0	0	0	0	21533	21337	0	0	0	0	0	2314	0	0	2607	0	0	1766	4193	0	3244	0	0	0	Lipid	0.2631579	1.9473684	0.05263158
16	C23 H37 O2 N1	360.2897	360.2901	0.15527019	360.28976	2486	1704	1473	3590	0	0	0	27553	0	0	0	13349	0	0	0	17170	0	0	0	0	0	0	0	0	4026	0	1018	0	2609	11621	27600	3172	0	0	0	1463	0	0	0	0	0	0	0	0	0	0	0	0	6295	32114	3846	1563	0	0	0	0	0	10961	0	0	11696	0	0	0	0	0	0	0	0	0	0	1528	3424	10423	0	6226	0	10769	0	0	0	0	0	0	0	0	0	0	0	122326	0	0	0	0	0	0	0	2759	0	0	0	0	14280	0	0	0	0	0	0	0	Lipid	0.08695652	1.6086956	0.04347826
12	C23 H37 O2 N1	360.2897	360.29028	0.17215425	360.28976	1409	0	2253	0	2292	2490	0	2353	0	0	0	1477	3483	3328	1342	9923	0	0	0	0	0	0	1794	12162	6684	0	1840	0	2243	2451	1015	4881	13537	9455	0	5065	7104	1673	0	0	0	1587	0	0	0	0	0	0	0	3330	1458	0	2150	0	0	0	1390	20625	0	0	0	0	0	1222	2305	22159	6255	6594	0	0	0	2869	3694	2346	2273	2169	0	1269	0	0	997	0	0	0	0	0	0	5330	1983	35797	0	0	11406	0	0	0	2038	0	2244	0	0	6704	0	0	0	16051	0	0	0	0	Lipid	0.08695652	1.6086956	0.04347826
14	C23 H37 O2 N1	360.2897	360.2902	0.058895122	360.28973	5903	4787	10220	5180	0	2036	0	19091	0	0	0	6471	2318	0	3440	9066	0	0	1558	0	0	0	0	0	20303	0	3190	0	22833	26822	10409	23466	2922	13766	0	38527	4666	2848	0	0	0	0	0	0	0	0	0	0	18598	26439	4121	7303	0	0	0	0	0	2643	0	0	0	0	0	0	0	15612	2506	1747	0	0	0	4497	30400	33640	19259	24237	0	6427	0	0	0	0	0	0	0	0	7469	0	0	506689	0	0	17677	0	0	0	4278	6690	0	0	0	2523	5333	0	0	4011	0	0	5460	0	Lipid	0.08695652	1.6086956	0.04347826
18	C23 H37 O2 N1	360.2897	360.2902	0.03654938	360.28973	0	1728	0	0	0	0	0	2711	0	0	0	2428	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1416	0	0	4670	0	3210	0	4226	0	4260	0	0	0	0	0	0	0	0	0	0	0	0	0	3878	0	0	0	0	0	0	0	2033	0	0	2527	0	0	0	0	0	0	0	0	0	0	0	1183	2535	3149	0	0	2090	0	0	0	0	0	0	0	0	0	0	0	43582	0	0	2157	0	0	0	0	0	0	0	0	0	4629	0	0	1450	0	0	0	0	Lipid	0.08695652	1.6086956	0.04347826
18	C21 H45 O3 N1	360.34723	360.34775	0.17005953	360.3473	0	0	0	0	0	0	0	2139	0	0	0	0	0	0	1728	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39811	1482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1184	0	0	17391	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.14285715	2.142857	0.04761905
18	C17 H12 O7 S1	361.03766	361.03824	0.26986647	361.03775	2729	1872	0	0	1889	0	0	0	1246	2714	3194	0	2014	0	0	0	0	0	3708	0	2434	5817	0	0	0	1695	0	2667	0	0	0	0	0	0	5754	0	0	0	0	0	3432	0	0	0	0	1983	1884	0	0	0	0	2339	1718	0	0	1419	1057	0	0	945	0	2660	0	2035	1220	0	0	0	3574	3047	5883	0	0	0	0	0	0	0	0	7335	0	0	0	2356	0	1634	0	0	0	0	0	3544	0	14908	20151	0	0	2545	1277	0	1636	0	0	0	0	0	0	0	0	0	Organosulfur	0.4117647	0.7058824	0.0
24	C17 H12 O9	361.05542	361.05585	0.19094492	361.05548	6061	6060	5987	6979	17853	10745	3148	1725	18619	5092	1506	2906	41947	10607	5113	2522	1371	31796	23185	1375	3544	8212	7873	3471	4386	0	1480	1339	0	0	0	1222	0	0	3734	0	3653	3508	1756	1441	2439	3687	0	0	0	1935	4195	2519	0	0	5709	4848	11633	0	21201	16086	7950	4397	1655	1414	3094	2313	42641	18066	4539	26120	5657	1703	1203	1432	0	0	0	0	0	0	0	3297	17278	5852	14962	1526	1141	1317	32396	11812	9443	8072	8069	2465	0	2029	2805	8307	9345	0	5159	5808	13242	26516	25820	4816	2790	0	2102	2693	19874	0	5092	40124	Phytochemical	0.5294118	0.7058824	0.0
8	C17 H12 O9	361.05542	361.05606	0.1964262	361.05548	2346	4169	2453	4903	8580	2317	0	0	10941	3151	4187	1432	14648	2607	1073	0	1060	5545	7519	0	6878	6443	1831	1158	0	0	614	0	0	0	0	0	1179	0	7163	0	1134	1424	798	0	2716	3379	0	0	0	0	3382	0	973	0	4749	3141	4875	0	8718	10952	5122	0	0	0	0	1892	21729	13865	4010	10601	2232	0	0	0	0	0	0	0	1376	0	0	0	3739	0	1769	679	0	0	12328	5359	1684	3046	4739	2230	0	0	1512	7841	4725	0	3789	2272	10341	16367	13426	2175	1293	0	0	1773	8185	0	948	17720	Phytochemical	0.5294118	0.7058824	0.0
10	C17 H12 O9	361.05542	361.056	0.22422719	361.05548	9592	12793	10205	9732	23435	9534	1822	1513	28626	14636	9754	4386	35675	8427	4473	3255	4749	18104	25845	8915	13376	21863	6970	4486	0	0	1825	0	0	0	0	1765	4177	979	30262	0	4362	3677	3272	4416	10906	7663	0	0	0	3489	10575	0	1768	1643	14137	10645	14380	0	24915	27196	9862	1840	0	3720	0	6584	41899	26177	8134	30153	9022	3457	0	3399	5400	1026	1677	0	2179	0	0	2259	11105	8834	9022	4015	1022	982	31163	9783	9328	10165	7905	7839	0	3317	9062	28573	16407	0	10204	9721	21821	37451	29189	2958	3482	0	0	4680	21122	0	2146	46605	Phytochemical	0.5294118	0.7058824	0.0
22	C17 H12 O9	361.05542	361.05585	0.14864685	361.05545	5510	9638	7346	7058	31190	15752	3212	0	28328	5889	1716	4510	37983	13960	5880	3374	2291	29795	21829	1910	2490	12931	8483	3636	5876	0	3402	0	0	0	2018	0	2356	1554	5270	0	2946	5007	1291	5040	4254	5817	0	0	965	2166	5464	0	1411	0	11701	8535	16768	451	27218	22379	10516	3123	2768	1472	2295	2540	47895	30774	10296	32896	6693	0	0	2078	0	1154	0	0	1607	0	1062	2358	19023	9082	17125	2952	1511	0	40915	21772	12917	6437	9125	2566	2802	2791	5266	15833	12696	0	10413	9353	19195	36574	25616	4038	2289	2244	3781	2990	23298	0	3907	55456	Phytochemical	0.5294118	0.7058824	0.0
26	C17 H12 O9	361.05542	361.0558	0.15890656	361.05548	7236	7130	5635	7936	18353	7751	2128	0	21664	4759	0	4452	41848	10758	10483	6527	0	35653	26094	0	0	6387	7027	0	0	0	3721	0	0	0	2366	0	2494	0	4579	0	3264	5578	2430	0	2636	0	0	0	0	0	0	0	0	0	10365	6550	14141	0	21031	14107	9100	3030	0	0	0	0	38430	16390	4181	20717	4267	3240	0	0	0	0	0	0	0	0	0	0	16439	0	18905	0	0	0	30497	11961	10461	6803	5725	3945	2201	1935	5182	7688	11665	0	5930	6291	7850	20344	19858	0	3181	0	0	2869	9568	0	4460	36769	Phytochemical	0.5294118	0.7058824	0.0
20	C17 H12 O9	361.05542	361.05588	0.17387596	361.05548	12608	16855	15962	11571	50070	24668	7628	3822	41269	10508	3203	5098	71524	24658	11150	3566	6372	56090	47769	5555	7004	28784	16471	7141	6157	0	4732	3328	0	1812	1534	0	6339	1421	10884	0	8236	9504	2834	6574	6500	8892	1921	0	1332	7713	11408	2707	1940	0	15474	17627	23013	953	42004	42480	20304	3911	4842	3631	3092	6197	73341	41879	15155	57305	15491	2937	2554	1869	3360	1438	0	0	0	1399	1152	5001	28663	17543	22917	6426	2004	0	57416	25780	21082	18820	15585	6227	5941	3370	7540	19405	24238	893	14241	14261	23982	54497	50988	3973	3015	2161	5220	6318	32120	694	6208	68158	Phytochemical	0.5294118	0.7058824	0.0
10	C16 H12 O8 N2	361.06665	361.0673	0.25619343	361.06674	3952	6019	3609	4158	5264	1376	1060	0	11774	6085	4758	982	13920	2046	1985	2445	1427	11434	10512	3034	8394	13121	2555	2036	0	0	0	0	0	0	0	1705	2503	1138	12215	0	2371	707	0	4368	14989	2680	0	0	0	2304	5360	0	1643	0	3208	4244	4921	0	14647	6906	3094	0	0	1718	0	4227	20039	10743	2549	10431	2596	2729	0	0	3032	0	1035	0	1132	0	0	778	4037	0	2320	1913	1133	0	10288	2545	3218	5130	4288	5155	0	0	2314	11897	8691	0	7534	2941	7397	9198	8177	2375	0	0	0	1851	4523	0	976	20101	Phytochemical	0.5	0.75	0.125
14	C16 H12 O8 N2	361.06665	361.06717	0.17263235	361.0667	9843	5711	8156	7253	15110	6820	3758	1342	12102	10452	11520	3675	23703	7233	5323	4048	7173	15388	20070	3404	15480	23388	5243	0	2628	0	2479	0	2036	1518	2328	0	8067	0	16843	0	4059	3161	7604	10798	22127	8872	0	0	0	3077	10396	0	3372	0	11117	8499	12097	0	19385	12688	6666	4309	0	6211	0	12881	27012	22770	4460	17624	12872	10343	0	0	7092	1954	1057	0	2906	1490	0	1544	9249	0	7493	5186	1676	2281	16401	5106	9317	10170	10663	27208	3689	9138	11628	31135	20187	0	10212	7882	4508	14010	13411	5651	3103	0	0	10694	9753	0	2973	30946	Phytochemical	0.5	0.75	0.125
16	C16 H12 O8 N2	361.06665	361.06714	0.15250987	361.0667	9611	5748	7855	8428	8360	6881	2627	3021	5536	10131	5821	6385	16520	4556	4152	2965	6247	15840	13114	4971	7728	18300	7625	5180	2709	0	3319	0	0	1891	2634	0	4738	2299	10445	2646	9421	5915	4310	8794	16026	5224	0	0	0	6328	10599	0	2779	4360	11035	5776	6557	0	13897	8684	2106	3897	0	4244	0	8769	21418	15011	4438	11451	8659	6546	0	1925	3242	3226	1209	0	4496	2381	0	3531	11644	11103	4223	5842	1133	2805	8765	3639	11377	7199	8345	0	3508	3978	0	20994	16860	0	10035	3976	6793	9808	7002	4422	4075	2656	0	0	4073	0	2944	23033	Phytochemical	0.5	0.75	0.125
12	C16 H12 O8 N2	361.06665	361.06717	0.14850217	361.06668	5679	6027	5172	4584	9489	5532	2183	0	15388	9555	6958	1544	16146	3595	2779	0	3225	11782	12807	3329	14141	15263	5106	2714	0	0	1754	0	0	0	1015	0	2481	1849	12754	1122	3965	4151	2070	6961	24220	4104	0	0	0	5914	8582	0	0	1524	4178	4681	7665	0	16149	12048	5295	2641	0	0	0	8061	31764	14628	4048	15365	5979	3888	0	1890	8876	1820	0	0	2595	1270	0	1183	5093	0	5968	4329	1062	1579	14290	4227	5031	8045	5511	9791	0	1886	7670	20395	9553	0	3866	4218	6743	15511	8989	2226	1671	0	0	3305	8055	0	1741	30192	Phytochemical	0.5	0.75	0.125
10	C14 H16 O11	361.07654	361.0772	0.19361022	361.0766	3049	3682	3948	3152	13438	4248	0	0	16002	0	2388	2170	32458	4297	2080	1516	1475	14112	14668	0	2756	2824	2601	1286	0	0	1011	0	0	937	1278	0	1985	0	0	1039	0	1144	1445	1851	0	4676	0	0	0	0	0	0	1366	0	1972	1909	7969	0	20256	18614	4264	0	0	0	0	0	27133	20648	2990	14377	6858	2937	0	0	0	0	0	0	1300	1014	0	1537	2573	0	0	702	0	0	16606	3267	2880	4906	5222	2021	0	0	0	3734	0	0	4281	3340	8453	20193	15926	0	0	0	0	0	9330	0	0	35704	Phytochemical	0.78571427	1.1428572	0.0
8	C14 H16 O11	361.07654	361.07712	0.12577361	361.07657	1781	3607	2365	1928	8740	2889	740	0	11338	0	1245	1091	22719	2308	1169	0	1086	10157	11087	1999	2770	0	2019	0	0	0	0	0	0	0	0	902	0	0	1477	0	1416	771	1229	0	1181	4206	0	0	0	0	0	0	0	0	2535	2961	4434	0	10059	15047	3516	1455	0	1161	0	0	21540	14149	2938	13642	3157	0	0	0	0	0	0	0	1892	0	0	0	1910	0	1210	918	0	0	11337	0	1417	3945	1902	1915	0	0	0	2458	1679	0	3058	3247	6615	16739	15715	0	969	0	0	892	10751	0	0	26379	Phytochemical	0.78571427	1.1428572	0.0
12	C14 H16 O11	361.07654	361.07718	0.2652523	361.07663	0	2229	0	3273	10814	4092	0	0	17996	0	0	0	24252	4763	951	0	0	11652	13199	0	2330	0	3702	0	0	0	0	0	0	0	0	0	1767	0	0	1288	2062	0	0	0	0	5465	0	0	0	0	0	0	0	0	0	4175	7306	0	20716	11668	4190	0	0	0	0	0	36297	18479	2928	14439	4591	0	0	0	0	0	0	0	1132	0	0	1613	1417	0	0	1355	0	0	9250	2054	1435	2913	4888	0	2625	2134	0	0	0	0	4409	2670	6491	12039	10353	2710	1147	0	0	1653	7871	0	0	32475	Phytochemical	0.78571427	1.1428572	0.0
14	C14 H16 O11	361.07654	361.07715	0.21960434	361.07663	0	0	0	2327	7333	5739	0	0	11320	0	0	0	20256	4006	1588	0	0	5874	6269	0	0	0	0	0	0	0	0	0	0	0	0	0	1980	0	0	0	0	0	0	0	0	2686	0	0	0	0	0	0	0	0	2684	0	3565	0	17826	8127	2074	0	0	0	0	0	13233	14315	2310	8360	2334	0	0	0	0	0	0	0	0	0	0	1373	1946	0	0	0	0	0	3913	0	1181	0	2781	0	0	0	0	0	0	0	2124	0	3957	5196	4279	0	0	0	0	0	3287	0	0	16749	Phytochemical	0.78571427	1.1428572	0.0
26	C11 H20 O11 S1	361.0799	361.0801	-0.10223224	361.07986	4128	2642	2659	2819	0	0	21002	0	3439	0	4926	3940	0	0	0	0	0	0	0	0	0	0	0	0	43264	0	12255	46702	0	0	0	0	0	0	0	0	0	3847	0	0	0	0	0	0	0	0	0	10797	0	0	2582	3086	0	0	0	0	0	0	0	0	0	0	0	2423	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33818	64326	51912	11468	34577	8022	21867	61944	36737	0	0	0	0	0	0	2471	0	0	4332	0	0	30019	81714	0	0	0	0	0	59321	12828	41454	0	Organosulfur	1.0	1.8181819	0.0
10	C13 H16 O10 N2	361.08777	361.08917	0.47623995	361.08795	2453	4123	1186	2010	2976	2183	0	1887	2615	5993	5176	2909	5149	0	1192	2079	2763	5433	5209	5733	7482	8231	865	1442	1146	9939	2486	0	1231	0	2595	1544	1363	1563	7734	0	1302	2231	1877	6076	10225	1032	787	0	0	0	6252	0	3004	1972	3517	3264	4217	0	3246	2994	2349	3415	2630	2404	0	6500	4973	4111	2341	4104	3044	4072	0	15528	13672	2875	0	1110	21643	2106	0	2834	3984	0	3244	4346	1782	5610	3124	2245	1201	4190	2549	3561	0	0	2287	4956	5099	0	2788	4391	3330	4258	2110	2829	0	0	0	2239	4241	0	1334	5222	Unclassified	0.7692308	1.2307693	0.15384616
10	C22 H16 O3 S1	361.0893	361.08997	0.454234	361.08945	2453	2986	0	2010	2976	2183	0	1887	2615	4116	3741	1751	2227	0	0	2079	1073	2712	3318	3732	3648	4056	865	1442	0	7526	1288	0	0	0	1470	1544	1363	1563	4752	0	0	2231	0	2850	5499	1032	787	0	0	0	3604	0	1158	0	1973	3264	2952	0	1704	2994	2349	1905	2630	2404	0	4979	2807	2303	2341	2946	1779	1217	0	10029	7373	1625	0	1110	21643	1157	0	1630	2789	0	2109	3088	1782	3110	2151	2245	1201	2849	2549	1390	0	0	2287	2409	2698	0	2788	2907	3330	3206	2110	0	0	0	0	0	3576	0	0	3053	Organosulfur	0.13636364	0.72727275	0.0
22	C22 H16 O5	361.10706	361.1075	0.158831	361.10712	2131	2088	1365	1570	3650	2243	0	0	2541	6393	10345	0	1901	0	0	0	0	0	2277	7182	6971	2232	1352	0	0	23954	0	10899	1355	0	0	0	1727	0	3785	0	0	0	0	4606	6100	0	0	0	0	3254	8692	0	0	0	2264	2833	1896	0	2381	1676	1313	0	0	1693	0	2085	3482	0	2036	1572	2558	0	25188	16689	22453	0	0	0	0	0	0	0	3287	5167	2211	4733	1129	5841	3554	1805	1499	1364	2037	0	0	0	1732	4579	5786	0	0	2431	3013	2335	2154	0	0	1715	2573	0	4211	0	1499	3221	Phytochemical	0.22727273	0.72727275	0.0
20	C22 H16 O5	361.10706	361.10754	0.05240852	361.10706	3205	2824	2713	2419	1915	2437	0	0	1280	5325	10117	0	0	2084	2119	3490	1640	0	3263	6147	2741	2966	1367	2417	0	22954	1232	7840	0	0	0	0	0	0	6895	0	1624	0	0	3390	4376	1506	0	0	0	3289	2828	0	0	0	2049	2502	0	0	0	1467	1429	0	0	1686	0	2634	1993	0	0	0	2157	0	21047	12167	17008	0	1556	0	0	1444	0	0	2044	3964	0	3706	1387	0	3357	0	0	0	1551	2427	2231	3429	0	4196	2589	0	0	3389	1857	2213	1399	0	0	0	2327	0	1748	0	1528	0	Phytochemical	0.22727273	0.72727275	0.0
4	C14 H20 O9 N2	361.12415	361.12482	0.10507	361.1242	3395	3053	0	2914	2626	2889	9236	3241	3010	0	0	3749	5532	1650	3061	4658	89996	4257	4753	0	0	4065	5921	4280	2043	0	10876	0	2217	2902	2522	4017	4376	2872	1214	3011	3800	3413	114813	0	0	3612	0	0	0	0	0	0	2539	2685	6332	2916	2659	0	3430	3703	2169	3093	2008	1841	3333	0	4636	4204	3047	4046	2478	32779	0	0	0	2775	0	2805	10742	2024	0	2164	7281	0	4166	986	0	0	3178	4453	5949	5550	4372	20468	0	1602	10513	0	0	0	3031	3409	2868	3541	4502	4955	4136	1379	0	4174	2749	0	5043	8682	Unclassified	0.64285713	1.4285715	0.14285715
2	C14 H20 O9 N2	361.12415	361.12485	0.14685002	361.1242	11186	12082	7824	7106	10544	0	1554	10070	6476	2772	0	6748	18730	5088	4556	0	5088	15632	17742	2748	5202	10642	7692	9400	1364	0	0	0	10260	4718	10818	8102	23184	11214	5370	7964	12870	3924	7117	2738	0	16318	0	0	0	2876	1248	0	9482	5994	9210	7080	12764	0	8532	4408	4012	11286	1730	1688	3748	364	26904	15836	0	21408	15192	5790	0	1290	0	9360	10256	7314	0	6008	0	4772	0	0	2772	0	0	0	4878	1160	3388	14186	15694	0	7882	7180	16090	1850	0	0	9376	5598	3324	5024	7780	8674	6810	3478	1184	13162	4734	0	2264	32580	Unclassified	0.64285713	1.4285715	0.14285715
12	C18 H20 O6 N2	361.1394	361.13995	0.06384215	361.13943	180899	190005	183805	187399	123235	95949	164902	199114	126151	290691	156356	102062	116241	61565	140702	177011	162320	139252	186188	314088	357868	345153	152007	201248	146784	241177	121970	177900	164202	129264	161758	155204	224610	152133	381955	135987	193767	134463	206193	353605	354330	100783	1743	532	273	250113	275395	350	182002	157190	193001	177048	122933	350	159126	88121	83861	200076	139273	181558	189268	226852	151519	109475	64940	140873	118757	213491	256242	419771	402445	153201	137498	126600	118933	130227	0	123455	175784	193089	155284	156674	139027	212814	92962	79967	187174	107748	117267	338301	180052	225421	306278	207821	239037	1024	199708	185259	89704	105831	95228	183475	113489	169949	135277	207834	99112	0	155480	156724	Phytochemical	0.33333334	1.1111112	0.11111111
2	C18 H20 O6 N2	361.1394	361.1401	0.060995303	361.13943	15013	15418	11682	14152	16169	0	9804	13986	13663	18393	18622	15170	24536	11330	11023	5236	16438	14560	16675	16748	32879	20405	13626	11884	5183	12965	2824	15339	13086	8902	13448	10088	20491	12860	29849	10484	13518	10658	18700	16936	27999	9895	223	0	0	10436	19489	0	11314	9254	12761	15328	12882	0	24792	12936	7445	11496	7061	13007	5250	12782	134928	29032	8223	21520	12916	25173	19793	20782	32606	9758	11991	8691	3511	10682	0	9933	15343	12603	11295	11770	7975	10428	11773	9729	15304	12888	11016	32235	10395	15676	23146	19898	6759	0	15932	15792	12985	13498	13010	10459	11962	9281	11760	16338	10256	0	10901	18899	Phytochemical	0.33333334	1.1111112	0.11111111
22	C23 H20 O4	361.14343	361.14392	0.19511163	361.1435	5496	6437	5269	7793	4286	2425	1766	3872	3785	7004	9851	4047	0	6121	3707	2340	2638	3323	4119	7732	8888	4916	4599	4705	4598	41259	3660	13432	3506	2967	3753	0	3081	3584	7981	2359	3876	2236	2105	10987	12960	2949	0	0	0	6226	10427	0	3036	3026	8977	2789	6154	0	0	4469	3629	4348	2196	4388	4413	3336	3147	1552	3078	7565	7031	4371	34636	23548	42794	2512	2901	1123	1694	2945	0	2154	3410	5005	2856	4906	4606	7260	5435	3836	5160	5588	6254	5747	4017	3798	8321	7182	4481	0	5425	4935	6235	5725	6795	3565	1810	3370	5387	5656	3858	0	4629	4050	Phytochemical	0.17391305	0.8695652	0.0
20	C23 H20 O4	361.14343	361.14392	0.17477046	361.1435	3756	5811	5216	4204	2799	0	2628	2594	1302	2033	4616	1938	1829	2687	2180	5300	3194	2411	3388	4044	2623	5207	2221	5240	3828	22590	2380	6672	2762	2647	2726	2215	2588	2806	4625	3309	2886	1977	2642	4202	6877	2671	0	0	0	3065	3951	0	3040	1611	3275	3386	1091	0	1939	2811	3560	6669	4026	2883	4642	2836	3474	1571	1546	0	3966	5185	19259	16837	24109	1754	3064	1896	2877	3051	0	2896	3659	2262	4182	2655	2227	0	4666	4264	4503	1468	4807	4782	4311	0	4198	6546	4312	0	3306	4910	3882	1246	1518	3769	3974	3199	2036	3503	2584	0	3598	2547	Phytochemical	0.17391305	0.8695652	0.0
24	C23 H20 O4	361.14343	361.1439	0.23177604	361.14352	4993	5421	1956	3411	2640	2497	1374	3250	2296	1867	13962	1353	5527	2475	2720	3480	2057	5955	4815	4834	7231	4342	2388	0	3205	37552	0	14127	3089	0	1735	1644	1769	1493	8484	1628	2224	1909	2631	6272	12188	2667	0	0	0	4488	8252	0	2171	1567	2531	3689	5041	0	2644	2692	1842	2069	3507	3129	3604	4715	1281	5006	3265	9026	8432	2561	32293	18648	36393	2437	1594	2239	0	2127	0	2802	4315	6599	3388	5413	2274	8389	3794	0	3651	2972	2731	3192	1691	4246	0	8300	3844	0	3659	3834	4750	3827	3055	2996	1719	2549	5386	3013	6208	0	3217	2424	Phytochemical	0.17391305	0.8695652	0.0
18	C16 H24 O9	361.14932	361.1498	0.2354902	361.14938	6710	6760	8736	6680	7382	7070	4337	9066	12544	0	0	2522	16430	4668	8637	4387	2725	13854	16652	2821	0	2494	3614	4474	5974	1647	0	3061	11601	11736	6739	11491	16212	6538	10762	12485	11601	7237	2792	0	0	6324	0	0	0	0	0	0	5046	7321	4840	0	6500	0	34888	9490	4360	7459	11859	0	7761	2978	13200	14030	2089	11099	9957	4319	0	0	0	9862	10901	11042	0	8839	0	7104	2270	1933	4807	2929	3321	1607	1853	6525	3819	4346	8213	0	4658	9580	7777	0	7211	0	6945	10222	4385	4521	2971	11609	4312	11442	1339	7283	5957	0	3354	16361	Lipid	0.5625	1.5	0.0
16	C16 H24 O9	361.14932	361.14978	0.13801327	361.14935	17983	16101	17201	14352	17944	21858	9963	16460	43532	26098	7541	3396	51779	12560	20347	8176	4891	44588	52285	25207	12098	13542	10721	12108	11942	1755	5841	0	29068	21295	15136	17274	28164	13345	30562	23681	27022	13496	5488	13621	0	15817	662	0	0	7318	0	0	14982	13463	24168	17302	25378	0	96759	24948	11577	12908	20354	0	0	7808	32076	42559	10564	25247	17451	3342	0	0	0	15432	13527	24689	5887	13802	0	10191	7867	0	7054	3128	10369	4702	16016	18165	8465	6368	14874	0	18173	30334	0	5942	8917	0	19573	22269	19190	11156	9628	29162	9176	15483	0	0	17583	0	5535	51003	Lipid	0.5625	1.5	0.0
18	C17 H25 O3 N2 S1 Na1	361.15564	361.15613	-0.04354584	361.1556	3721	2445	4045	2421	3929	1979	1544	0	3493	6274	6614	2288	3931	1816	2151	3495	1957	4242	2235	6996	6536	3024	5412	2619	0	15307	3056	3683	4420	3500	0	3488	3386	0	9251	2643	4920	2646	2883	6763	5958	2491	0	0	0	7624	3985	0	6374	2584	3436	5000	5415	0	4264	3152	2363	5304	3657	3161	3918	2732	6599	2384	1305	6811	3256	4685	13442	26762	17502	4035	1572	2636	3208	0	0	0	4805	0	2622	1809	3056	5113	4278	3276	3315	2802	3365	2255	0	3352	4773	4897	5295	0	6044	3222	1316	4484	1642	3290	3666	3982	2427	0	4639	0	3337	4412	Organosulfur	0.1764706	1.4705882	0.11764706
0	C15 H24 O8 N2	361.16055	361.16122	-0.031109678	361.16052	7311	8789	7105	6340	8720	686769	0	8728	6180	0	0	2372	5484	0	3116	0	2246	10136	5103	0	4437	6009	2826	3862	2048	0	0	845	7811	3298	4199	5155	14874	6149	2200	5261	9072	0	3254	0	0	29398	0	0	0	0	0	0	8352	2877	7026	5798	4862	0	4325	1850	0	6361	1811	905	1885	0	6153	4100	1378	6151	5772	1762	0	0	0	7631	10566	5179	0	6026	0	10489	0	0	1753	0	0	0	1679	0	1453	5507	5653	1804	15602	10283	8080	0	0	0	8136	8448	1078	1187	1495	13481	11931	2289	0	11012	1842	0	0	11085	Peptide	0.53333336	1.6	0.13333334
2	C20 H24 O6	361.16455	361.16525	-0.006324617	361.16455	313618	333320	254076	272598	50432	48887772	26423	58633	66507	15144	17487	70711	61749	68772	106846	12885	31238	72095	54122	20817	20547	51839	43284	44999	27983	5078	12083	21263	71446	40941	67794	46402	93897	77209	28499	48145	75416	46925	35901	20486	15509	712034	10738	7760	12058	21707	14399	12382	62663	31201	289592	297881	46418	8056	57130	28361	23051	66305	17670	14518	31330	8050	70139	61216	20693	57503	51927	47115	16010	15796	12641	61975	66009	42035	7151	49210	11166	354486	24066	0	20669	23210	17042	5922	32748	22995	25396	64116	55427	39396	61945	48951	68855	12481	8301	22052	257686	234760	32700	26093	31841	68706	1136153	22325	17000	98721	29216	10930	17780	81220	Phytochemical	0.3	1.2	0.0
6	C20 H24 O6	361.16455	361.1652	-0.029031716	361.16455	35734	33586	19006	31076	9108	8006	26952	31140	11734	24598	24078	12212	9734	11239	15162	15430	17658	9960	13477	31206	40288	38444	15217	18840	12174	27812	13307	10792	35970	37250	30656	14323	29318	25770	38894	35872	13243	24440	17065	13258	27372	12250	6077	3729	5605	19488	19739	4960	16963	32586	24748	25690	10242	4352	13928	12392	10131	19162	12516	16671	17686	10659	8030	8646	7443	9443	6794	19100	19221	36286	18893	16188	17561	32802	7186	41372	4215	10998	14393	9414	18430	34430	16821	12421	11050	7516	17882	9177	10577	16382	24232	23861	17456	23566	21418	5440	33452	39244	9954	12637	14661	17126	16501	16345	13615	13109	9869	3792	14608	8678	Phytochemical	0.3	1.2	0.0
2	C14 H24 O7 N4	361.17178	361.17242	0.07549572	361.1718	3724	3005	3284	3986	1896	0	612	2292	1516	1787	4623	0	1913	621	1486	468	2622	2138	1962	0	0	1605	1607	2474	518	0	0	23865	1796	1581	1780	2184	2755	2738	668	2027	2023	1610	2364	0	0	0	0	0	0	0	0	0	1331	1217	3673	4820	2246	0	975	712	895	2435	420	0	915	0	1317	1366	0	3331	2459	3280	0	0	0	1998	1600	1289	0	899	0	1288	1742	123563	1368	0	0	0	1390	1137	2362	2254	1734	5531	51069	19003	4629	18138	0	0	3000	3456	1692	996	1442	1382	933	568	0	2269	1534	0	1125	2822	Peptide	0.5	1.7142857	0.2857143
4	C14 H24 O7 N4	361.17178	361.17264	0.12531397	361.1718	0	0	0	0	0	374	0	0	479	0	0	393	690	0	422	579	0	305	0	0	0	0	0	566	496	0	0	0	0	0	0	0	491	0	0	0	0	489	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	493	0	364	0	0	0	0	0	0	0	0	314	374	0	0	0	0	753	0	285	0	0	0	0	0	23605	0	0	0	0	0	495	681	0	0	1633	0	1641	997	1483	0	0	0	0	0	325	619	0	0	0	0	692	335	0	385	282	Peptide	0.5	1.7142857	0.2857143
10	C19 H24 O5 N2	361.1758	361.1763	-0.011174212	361.17578	80583	79444	77693	72674	36941	37084	51623	89001	34345	145314	71345	45020	36992	23085	54866	86378	67496	44983	62719	176157	169284	124763	59178	103735	69458	112922	62552	69204	74412	72118	67220	91897	109987	67223	162855	78406	107662	47022	81507	143387	126237	41177	666	0	0	94749	95600	0	98809	70594	75216	81355	41500	0	43686	20831	24845	102147	26435	51116	91556	74458	33268	36366	22471	37583	46612	75615	103137	161438	150205	79275	67562	63824	67458	66237	0	49252	66739	64140	51799	40819	41412	90462	21479	27655	58115	47863	42539	114643	119461	82116	144575	84191	143360	0	78710	81377	20798	21926	23311	97957	43482	100808	29068	85167	25543	0	67021	41964	Phytochemical	0.2631579	1.2631578	0.10526316
20	C19 H24 O5 N2	361.1758	361.1762	-0.007321276	361.17578	26232	27074	23449	19938	15300	13407	29635	24804	11169	20711	19476	13262	11387	13277	21685	33714	59772	20286	18098	25819	19778	28517	20595	41709	38357	16316	32738	13500	29929	14884	18139	23818	32984	19112	20114	18524	35911	21624	74522	21848	19285	13577	526	0	0	15850	14598	0	25571	20330	22044	24786	17897	0	13256	3371	12353	31870	10700	16750	27319	15861	8500	11932	12819	12631	14948	74024	13728	17222	31215	17519	19563	12797	28884	15453	0	20169	44825	17557	34253	9981	12957	16145	8949	15096	62509	20461	15923	156683	38798	24958	70686	16012	15008	0	23943	18740	12254	7130	8639	38296	17195	18353	8185	43803	12510	0	50717	14558	Phytochemical	0.2631579	1.2631578	0.10526316
2	C19 H24 O5 N2	361.1758	361.17648	-0.009917646	361.17578	16836	16391	12540	14913	6409	0	14504	22023	6753	19090	12296	15036	8163	7069	16594	12813	22569	9070	11970	22428	33917	24260	15401	17131	14587	14292	6959	15217	22302	18443	20013	18257	23930	17247	27483	19895	20229	13419	23925	21651	25450	11673	0	0	0	15258	17965	0	20448	20177	17373	17506	8858	0	11773	4597	5006	18995	6764	10130	14109	14353	5380	10126	5357	7349	10910	25872	13860	23216	23603	17883	20543	20679	13133	18387	0	13101	16381	16777	15994	8890	11280	15384	4675	8000	17441	11480	10567	31629	23206	21388	35493	17676	16303	0	16305	22222	5292	3651	4565	17928	12694	21353	9942	18841	5331	0	17134	7083	Phytochemical	0.2631579	1.2631578	0.10526316
16	C19 H24 O5 N2	361.1758	361.17624	-0.08591997	361.17578	52716	69347	56900	59815	35874	40040	55638	77366	24674	81130	50652	46747	30489	25048	52728	91834	72350	46949	56147	105798	91608	99372	47370	101865	53990	73499	50249	56312	65114	64997	68244	74885	79142	66140	84321	67206	84623	49132	74928	105459	100838	39678	693	0	0	71324	68754	0	81685	72527	73310	74468	45117	0	29434	16824	27885	77432	55656	63184	72677	59947	30191	32233	22233	43015	34167	78053	46112	104260	92396	72634	60045	55046	63221	68733	0	47984	54843	57022	45664	50337	64164	77726	21564	21974	57461	47218	38642	118511	113159	105266	119164	65116	101946	518	71231	62376	23159	21933	19269	86377	36528	85157	31417	91144	24434	0	65543	31673	Phytochemical	0.2631579	1.2631578	0.10526316
26	C24 H24 O3	361.1798	361.18018	0.24116151	361.1799	3560	4145	3300	3789	3895	0	0	0	4655	2061	10460	0	4215	0	0	0	0	0	0	0	5162	3596	0	4822	5993	23993	1686	9105	0	0	5171	0	4312	0	4397	0	5755	0	4658	6281	7493	0	0	0	0	0	0	0	3732	0	4167	4988	4782	0	4336	0	3144	4158	3408	3070	0	3314	2177	0	0	4303	8517	3593	23310	10109	14764	2958	0	0	0	4185	0	4445	3218	6532	3464	5055	3747	6449	5422	0	6627	4912	5299	2615	3137	3305	5376	2432	0	0	6100	0	3151	4914	6995	6191	0	6091	0	4026	0	0	4484	0	Phytochemical	0.125	1.0	0.0
24	C24 H24 O3	361.1798	361.18027	0.1443253	361.17987	6383	6062	7061	7850	7305	4015	3566	8579	4698	5672	13162	6578	4544	4283	5755	9845	9025	2077	9080	5796	10944	4940	8053	13256	5760	40425	3330	13722	4849	9863	4514	7706	10098	6352	8391	7845	5706	6263	10159	11777	15022	5875	0	0	0	4553	10008	0	7732	9724	6629	6268	9250	0	3618	2081	7376	4911	4937	6825	9139	8918	4554	3753	3438	9425	14519	10568	31282	23897	32618	5605	7838	5990	3107	8802	0	3311	8455	8052	6644	9174	4780	9147	6117	4662	9136	8710	8105	8878	6180	5132	10716	6740	5077	0	6586	7773	8740	6135	4003	10999	6092	12307	4250	9259	6870	0	8683	3731	Phytochemical	0.125	1.0	0.0
22	C24 H24 O3	361.1798	361.18027	0.09995088	361.17987	7595	7753	7804	7317	5329	5359	5909	7535	4218	2488	8712	4587	2824	4889	5346	8593	8911	0	2858	7926	5474	3254	4409	9557	5596	23797	3010	5220	4146	5610	6845	4451	6437	4618	5168	8201	5640	3176	11962	4162	9870	2865	0	0	0	5602	6030	0	5707	7392	5316	4590	4366	0	2971	3235	3671	8040	3719	7675	5147	3174	1619	2772	3257	4373	6145	9558	19241	14213	21666	5087	6947	5865	3518	7514	0	4126	5993	4422	6788	5102	5070	7119	3574	3877	6801	4836	3553	9261	5101	6630	7684	6976	5009	0	7667	5026	3683	3990	4618	8955	6796	7595	4672	7071	5531	0	6142	0	Phytochemical	0.125	1.0	0.0
22	C18 H29 O2 N2 S1 Na1	361.19202	361.1925	0.05819739	361.19205	7703	9411	4666	9808	5090	3963	3789	3851	4024	8271	10394	3677	4650	0	6387	5781	4950	3168	5746	13661	11742	9033	5363	7270	4646	14410	0	10593	5101	3731	6745	4852	10494	6576	14323	8560	6942	4433	4155	10542	9757	3960	0	0	0	2987	4510	0	6711	4645	8464	5973	3037	0	3527	3235	5379	6029	4523	3645	4492	7753	6647	4863	2220	6358	2959	4287	14110	23964	24248	6275	3843	4974	4855	6041	0	2402	3646	4803	2906	3467	5114	4284	4711	2132	4140	2570	6104	5641	4365	5495	7756	5823	8616	0	6207	6187	5858	3457	3998	7138	2686	10338	4341	7310	4403	0	2923	8000	Organosulfur	0.11111111	1.6111112	0.11111111
20	C18 H29 O2 N2 S1 Na1	361.19202	361.19244	0.02286223	361.19202	3062	5240	6640	5191	4884	5060	4580	5359	4088	8158	7936	4241	5075	1815	4920	8456	5772	7198	6407	13185	10168	6753	5398	6439	2315	23329	2761	6913	6416	4650	4480	4232	8009	6095	8762	4004	6055	4697	8586	7231	13501	4144	0	0	0	4298	5969	0	7916	4325	4982	8337	3325	0	3168	4697	2306	4939	7520	4890	7195	6580	5473	3287	1676	6140	4672	5534	20922	19359	34796	4345	4963	5621	5453	4901	0	3939	6097	3296	7572	3480	4864	0	4774	4501	4737	5024	5422	3934	3726	3514	6584	5070	2657	0	8523	7634	2634	6540	8623	6311	4364	7143	2840	5400	6001	0	6379	6461	Organosulfur	0.11111111	1.6111112	0.11111111
4	C16 H28 O7 N2	361.19693	361.19754	0.003739567	361.19693	5177	4576	4431	3780	6815	9628	2833	4181	5931	0	0	2633	8852	6012	4084	5489	4941	11416	6939	1383	0	3600	3870	3656	5124	0	2946	0	4574	3171	4084	5031	7301	3697	1888	6024	6516	3150	4251	0	0	2569	0	0	0	1837	0	0	4831	2810	4596	3350	5521	0	6797	3790	1674	6967	1377	0	6477	0	9010	4720	0	7990	3966	3950	0	0	0	3897	3291	3090	1533	3873	0	2623	2972	0	1999	713	1057	0	5266	3974	5050	3189	3136	3972	12715	8966	7338	1066	0	0	4319	4832	7663	4061	5075	7408	2747	0	0	5455	5926	0	1720	20463	Lipid	0.4375	1.75	0.125
2	C16 H28 O7 N2	361.19693	361.19757	-0.06762491	361.1969	11106	10518	7914	13658	11082	0	5762	17916	7614	3382	0	6788	14486	16074	13292	9094	7296	15068	15838	3566	3804	10062	8140	11194	9982	1860	0	10304	18404	8646	16246	14806	19530	11346	5132	10890	17528	8828	8046	2536	0	0	0	0	0	4468	3024	0	14754	7638	10144	9160	9126	0	10612	6470	3278	19490	2950	1380	10312	1364	11086	7644	0	14492	11228	7320	0	2830	2176	11458	13586	12478	0	11134	0	9712	6606	10909	4034	0	2528	1560	8278	6522	10820	10636	11952	15728	27928	12930	18990	2812	2194	0	11958	9212	5494	7270	8534	13720	6776	4836	2208	15418	9172	0	6616	16162	Lipid	0.4375	1.75	0.125
14	C21 H28 O5	361.20096	361.20145	0.013367096	361.20096	104735	108094	98455	110994	64597	48957	118971	110339	69871	82317	82587	85694	58475	45172	85937	137962	168344	62338	84586	84096	90934	92684	91170	106650	92032	107973	121492	81762	93050	110624	96377	134726	101864	67803	85961	112817	86734	97527	162918	69248	100513	65021	5987	2123	2332	74666	94558	2836	117380	107735	103007	107842	62132	2782	84247	69452	67956	149607	76426	106746	132150	45836	73032	68429	55917	62939	59196	180272	100888	106372	146812	68314	72583	117255	158847	105059	1938	77488	129938	76864	105300	63981	98315	61725	100405	71112	152010	52679	67135	242047	125359	106654	152448	74977	87251	3884	112599	95953	60429	107435	122834	120152	77237	108886	58933	108542	73328	2202	128692	52902	Lipid	0.23809524	1.3333334	0.0
12	C21 H28 O5	361.20096	361.20145	0.001438356	361.20096	42416	48424	47607	42540	18939	12493	46178	36303	21571	20002	22799	28107	12832	14699	30719	60727	50783	19386	27531	32566	25948	38935	29069	50945	28314	28046	53642	14217	34320	43975	30925	41856	32843	20576	24636	43397	32213	33359	59240	19215	41925	24227	2726	2030	2682	22927	36318	2831	43890	44465	44573	50333	17295	1744	24858	26129	19634	52931	30334	36486	34133	15162	23370	19152	16858	16470	19704	59951	24603	23516	32513	20662	26463	43175	60405	41858	1707	25393	45025	0	33535	22931	28190	17103	25085	17420	46144	13778	20814	76093	44780	38911	51066	16340	46282	2792	36802	49462	18751	31889	31834	47096	28313	48777	0	35230	26224	2385	31833	16099	Lipid	0.23809524	1.3333334	0.0
28	C18 H32 O5 S1	361.2043	361.2041	0.03136858	361.20435	0	922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3664	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5964	0	0	0	0	0	0	0	0	0	885	20973	13732	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2777778	1.7777778	0.0
0	C15 H28 O6 N4	361.20816	361.20877	-0.12797374	361.20813	3625	3263	3106	2867	1799	9718	0	1998	1517	0	2169	0	2579	0	0	0	2333	4708	1299	0	2114	1695	1285	1768	2050	0	0	81392	2666	0	1564	1754	7648	3903	1018	0	2881	1639	2990	0	0	2763	0	0	0	0	0	0	0	0	2402	2960	1570	0	1664	758	0	3148	0	0	0	0	0	0	4738	1707	2082	2660	0	0	0	1558	2358	0	0	2053	0	1119	1045	82437	0	0	0	0	1026	1747	1295	1820	1810	2335	39232	20730	2933	11916	0	0	2653	2376	2304	940	922	0	0	0	0	3905	1419	0	0	1807	Peptide	0.4	1.8666667	0.26666668
2	C15 H28 O6 N4	361.20816	361.20883	0.047396157	361.2082	11602	12208	11221	10104	1114	34665	922	4185	1073	848	12532	1607	2116	1206	2202	1724	7249	6132	1280	0	0	876	1230	2622	1884	0	0	210212	4345	1362	3436	2338	6638	2729	690	2019	6267	1776	8171	0	0	4396	0	0	0	375	454	0	2762	1162	14614	12271	1335	0	503	234	742	4247	0	0	1223	0	820	539	0	2889	1129	8041	0	319	0	3226	2300	1150	0	1891	0	1736	1522	1239581	1003	0	0	0	746	1511	2344	2367	1031	9918	438644	222914	2795	87177	551	0	13741	11661	2059	479	935	2641	1837	406	0	5620	373	0	2197	1385	Peptide	0.4	1.8666667	0.26666668
12	C20 H28 O4 N2	361.2122	361.21274	0.05072506	361.2122	9348	7235	11019	7639	4534	4541	7155	8835	2109	14723	5074	8082	0	1812	8390	14885	13802	3688	4511	23753	22335	8475	10991	17294	9132	14787	6093	12307	14534	7705	9810	12899	17150	12709	18201	13315	14405	7683	13161	16413	7444	4656	0	0	0	9036	15033	0	15561	11530	11345	9273	4341	0	0	1291	3493	16942	0	0	0	4546	1609	2686	1750	1756	4927	14571	0	25122	20045	11887	12067	8696	12784	10840	0	7370	6649	0	3314	1308	1368	13887	1384	2563	9837	6083	5587	23077	21410	2625	29594	6784	11137	0	9978	14049	0	0	1283	13432	6991	13108	0	15249	1659	0	9890	0	Lipid	0.2	1.4	0.1
8	C20 H28 O4 N2	361.2122	361.21274	-0.005965088	361.2122	9832	12151	12743	13568	2898	4850	7838	13127	2143	18054	10659	7988	3774	2954	9581	18960	13425	3066	6184	24776	20691	11469	8034	18637	13577	10865	7697	11188	15107	11514	11740	14712	16390	14408	23001	15425	18532	7214	12482	20066	7793	6569	0	0	0	8282	8924	0	14706	13993	13557	10514	5195	0	4524	1913	2961	14473	0	0	15475	5529	1965	2971	1911	3578	6368	17107	6096	14638	16837	15977	10320	10775	13426	12677	0	6222	11507	8163	7065	1659	1003	12106	1893	0	6825	7254	7109	29729	25058	0	32069	8802	17365	0	14705	13093	2449	1507	0	16318	7526	14828	0	13675	0	0	10028	1998	Lipid	0.2	1.4	0.1
14	C20 H28 O4 N2	361.2122	361.21262	-0.026268356	361.2122	8684	8353	6996	9502	2262	2761	3655	8509	2294	8567	7112	6526	1907	3650	2325	12742	9128	2127	2687	12492	12706	6013	4363	9634	8111	11483	3662	0	6806	8938	9114	9105	11536	6447	10030	7976	9806	4822	9648	9684	8902	4188	0	0	0	7374	8579	0	11519	7955	5769	8465	3717	0	2986	2058	1467	10508	0	0	0	2776	0	0	1583	0	3941	15856	0	17941	10819	7642	6563	7512	9803	8029	0	5169	5795	0	2971	2288	1796	9578	0	0	6693	3286	3189	12072	6273	4339	17925	3859	9600	0	7420	3639	2702	1094	0	5568	4507	7109	90167	13595	1133	0	6274	2048	Lipid	0.2	1.4	0.1
6	C20 H28 O4 N2	361.2122	361.2128	0.0699154	361.21222	11758	10051	9180	10298	1843	4610	8857	16811	1187	14987	5386	5143	1487	1891	8729	19771	10931	2540	6486	19797	19910	9706	8261	18240	11859	9168	8023	7518	15491	12444	12165	15498	13003	12792	15840	14373	14549	7766	11102	12678	7507	4484	0	0	0	10301	8388	0	16496	10619	11668	9699	4247	0	3464	853	2040	18291	0	610	16375	6294	1740	3007	3357	2598	5685	16019	5268	14410	13238	10914	9916	11368	11780	8859	0	7545	6821	7755	7090	757	1805	7473	1350	3494	9173	5950	9005	22153	13004	3302	28050	8577	14185	0	9990	10428	1221	1169	1088	15985	5082	15584	0	16339	948	0	9339	1826	Lipid	0.2	1.4	0.1
10	C20 H28 O4 N2	361.2122	361.21274	0.056683492	361.21222	11376	11040	10793	11644	3410	5215	6455	18036	2878	13475	7444	7411	2147	1847	10432	18916	14167	3518	7725	23236	21306	12720	8778	16973	11307	11485	6509	6819	16687	11916	12531	17679	14822	10708	18254	15226	20013	9435	10984	16438	8137	7196	0	0	0	10982	10963	0	17687	13559	10830	11623	5712	0	2976	1374	2173	20413	0	1454	17340	6505	1716	2047	3321	2706	7255	17026	8640	20872	18248	16375	11985	11321	15956	10473	0	8870	8793	7564	9279	1903	0	12006	1047	2128	9108	5815	7180	26098	15371	2356	22924	10432	23094	0	11114	8726	0	1119	1243	18982	7602	13725	0	16486	1737	0	9556	2467	Lipid	0.2	1.4	0.1
24	C23 H29 O2 Na1	361.2138	361.21423	0.7624778	361.21408	0	0	0	0	0	0	0	0	0	0	0	0	0	1518	0	0	0	0	0	0	0	0	0	0	0	0	1135	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7734	0	0	0	0	0	0	0	17210	0	1182	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3121	29587	0	2019	1202	0	1900	4688	0	0	0	0	0	0	910	0	3810	0	0	0	0	0	11101	0	0	0	Phytochemical	0.08695652	1.2608696	0.0
22	C18 H32 O7	361.22208	361.22244	-0.021964772	361.22208	10105	10180	8654	7995	0	0	0	0	0	0	0	0	0	0	0	3609	0	0	0	0	0	0	0	0	0	0	0	1978402	0	1031	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8954	7747	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1459	0	0	0	0	0	133737	0	0	0	1445	0	0	0	0	0	0	5334	4913	0	4533	3180	0	9639	7850	0	0	0	0	0	0	11631	0	0	0	0	0	Lipid	0.3888889	1.7777778	0.0
24	C18 H32 O7	361.22208	361.2221	0.08709917	361.2221	0	0	0	0	0	0	0	0	0	0	0	0	0	2138	0	0	0	0	0	0	0	0	0	0	0	0	0	60618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5563	0	0	0	0	0	0	0	0	0	0	3716	0	0	0	0	0	0	0	0	0	0	0	0	0	3991	0	0	0	0	0	Lipid	0.3888889	1.7777778	0.0
18	C22 H32 O4	361.23734	361.2378	0.01082827	361.23734	25896	24912	25599	27625	15403	12938	45017	20797	14852	11747	17077	16199	12773	20050	24817	36414	84040	15178	15096	4255	12233	11605	21038	22235	25274	18809	54121	18886	30797	21630	17723	32221	24892	16501	8725	36254	26578	19874	76559	3684	16809	19732	871	0	0	13150	14881	0	31516	20485	26580	25482	21722	372	22937	25575	20301	33672	8665	20131	24300	4267	17012	14354	22343	13075	26702	105817	13368	12695	27835	9906	17482	29039	67671	35580	0	12225	38389	16637	27044	11117	29359	21610	29231	30926	58448	17760	17534	83865	20875	20342	31589	13592	9334	0	28778	25881	19853	26465	44677	42782	16029	22159	5373	24247	24524	0	35592	8920	Lipid	0.18181819	1.4545455	0.0
20	C22 H32 O4	361.23734	361.23776	0.042466827	361.23737	94281	103827	89214	88421	75541	51834	142267	84368	68780	64632	72342	72208	54200	76269	77353	138735	233876	62986	99025	67340	62483	72467	58344	72291	85932	120401	150695	74903	96979	107263	70330	115914	107143	74839	72893	109865	99291	76657	237414	35277	72216	72677	4672	682	421	46776	61196	713	99835	88136	85852	88593	72486	1214	73053	88292	72859	122364	47244	84140	89037	32609	73246	60438	76720	75627	84761	247942	74690	71383	121242	52937	73930	100381	211522	95081	487	52492	119441	86105	76965	40161	125739	91590	111083	96517	186841	72146	83363	230239	98085	94336	108146	47660	58285	663	83648	97823	62365	115161	144113	131053	64061	76608	51095	85916	92345	663	108446	48486	Lipid	0.18181819	1.4545455	0.0
16	C22 H32 O4	361.23734	361.23776	0.03316018	361.23734	3637	3910	3990	4636	4010	3119	10957	4784	2629	2089	1237	2157	0	5839	5032	7853	23370	3026	3117	0	2396	2414	3949	4443	5706	3292	12753	1889	6038	6609	4122	6926	6885	2099	0	7882	1977	7931	22935	2577	2708	2916	483	0	0	0	4267	0	8861	4050	7364	5323	5589	0	3321	8102	4057	10035	1426	5501	0	1175	4694	0	3918	3211	3298	17251	0	2532	3329	1344	0	7690	17569	5680	0	3040	6376	0	6662	1858	5540	0	9981	5353	16038	3123	4368	32265	3315	4912	0	1708	0	0	6333	4804	5015	11472	11753	5329	3213	3016	0	0	6073	0	7588	2239	Lipid	0.18181819	1.4545455	0.0
0	C16 H32 O5 N4	361.24454	361.24524	-0.010399645	361.24454	0	0	0	0	0	23546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50602	0	0	0	0	1476	0	0	0	0	0	0	0	0	2858	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	158078	0	0	0	0	0	0	0	0	0	0	154002	37890	0	6128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3125	2.0	0.25
12	C21 H32 O3 N2	361.24857	361.249	-0.04607189	361.24857	2401	1689	2239	1701	0	0	0	3260	0	0	0	1380	0	0	2257	5431	6309	0	0	0	1603	0	3463	6648	2833	999	1196	0	3231	0	2843	2377	0	2324	0	3571	2444	2387	5278	1423	0	1820	0	0	0	3920	0	0	3607	3219	1686	2481	0	0	0	0	0	5121	0	0	0	0	0	0	0	0	1821	6939	0	0	0	1910	2101	1139	4436	1794	0	1042	4129	0	4427	0	0	879	0	0	3303	1335	0	26883	3770	0	11663	0	3185	0	1474	0	0	0	0	0	2720	0	0	4804	0	0	6791	0	Lipid	0.14285715	1.5238096	0.0952381
20	C19 H36 O6	361.25845	361.25894	0.15341948	361.2585	2911	1994	3791	3040	0	0	0	0	0	0	1549	0	0	17675	0	0	0	0	0	0	0	0	0	0	0	0	0	20976	0	0	0	0	0	0	0	0	0	0	0	0	0	3087	0	0	0	0	0	0	0	1360	3253	3285	0	1139	0	4960	16781	0	0	0	0	0	0	0	32270	0	7566	0	0	0	0	0	0	0	0	0	0	0	0	125615	0	0	0	0	11608	53027	0	1232	0	0	106598	70278	0	12377	0	0	3322	2184	2089	20574	90261	0	0	0	0	0	30245	0	0	0	Lipid	0.31578946	1.8947369	0.0
24	C19 H36 O6	361.25845	361.2588	-0.14729506	361.25842	0	0	0	0	0	0	0	0	0	0	1084	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7585	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	958	0	0	0	0	0	1128	0	0	0	0	0	0	0	2386	0	0	0	0	0	0	0	0	0	0	0	0	0	0	84461	0	0	0	0	0	7326	0	0	0	0	36621	23589	0	7141	1419	0	1105	0	1106	0	2175	0	0	0	4891	0	3192	0	0	0	Lipid	0.31578946	1.8947369	0.0
26	C19 H36 O6	361.25845	361.2584	0.12946294	361.2585	0	0	0	0	0	0	1555	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5711	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12134	8117	0	0	0	0	0	0	0	3291	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9941	0	0	0	0	0	0	0	0	0	0	35801	34464	0	0	0	0	0	0	15726	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.31578946	1.8947369	0.0
22	C19 H36 O6	361.25845	361.25876	-0.086868905	361.25842	4400	2126	3953	3770	0	1803	0	0	0	0	2607	0	0	65405	0	0	0	0	2444	0	0	0	0	0	0	0	1047	22172	0	0	0	0	0	0	0	0	0	0	0	0	0	6752	0	0	0	0	0	0	0	0	3319	5502	0	1765	0	0	5247	0	0	0	0	0	0	0	19691	0	34368	0	0	0	0	0	0	0	0	0	0	0	0	129768	0	0	0	0	5264	22975	0	1085	1826	0	123553	131796	0	12755	0	0	4255	4478	1355	3530	27016	0	0	0	0	0	13913	0	0	0	Lipid	0.31578946	1.8947369	0.0
12	C23 H33 N2 Na1	361.2614	361.26187	0.70655566	361.2617	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12700	0	25040	4270	21790	12847	0	2355	32431	0	0	0	0	0	0	0	0	0	0	0	32019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11018	2475	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7394	0	0	0	0	0	0	0	0	Lipid	0.0	1.4347826	0.08695652
24	C23 H36 O3	361.2737	361.2741	0.011425127	361.2737	26223	29389	24119	23454	17929	12126	206623	18678	11482	12738	22866	12522	7238	41411	19196	31593	60943	9403	21282	17015	6872	8520	12237	14617	22569	37556	217043	33601	23736	27879	11371	27854	21652	15120	7393	33232	18812	18737	68124	7482	22213	15951	2478	0	0	5733	12978	0	24715	20582	24765	26220	19272	0	9873	17623	16174	24609	10271	23975	33650	10643	27039	6427	43056	21102	49118	62929	17838	13301	24455	9456	14302	30370	35788	26273	0	11981	21804	38188	12434	24426	59603	68740	17424	22224	55189	11859	24213	78947	47101	25711	25267	14155	10879	0	28209	27930	17524	16308	17943	29645	14102	22192	14363	14135	16827	0	33061	9068	Lipid	0.13043478	1.5652174	0.0
22	C23 H36 O3	361.2737	361.27414	0.039000954	361.27374	3141	4989	2805	5237	3360	2124	33230	2925	1972	0	1313	4556	0	7519	4456	6585	18534	0	3267	0	0	0	1623	2063	6247	3071	34057	5186	5799	5468	3064	6668	4484	2618	1899	5627	3069	5702	26248	0	2310	4654	0	0	0	0	0	0	5654	5272	5673	2882	2143	0	2933	1520	3151	5840	2076	5542	7354	1409	2229	1310	8553	1777	9303	25324	1510	0	2335	1608	3794	6385	16633	6627	0	2348	6351	3980	2627	4432	17430	16218	2857	5207	9784	2361	3732	22838	4025	2912	0	1566	0	0	4004	5886	3588	0	3064	7559	4231	1802	2187	4756	3674	0	10706	0	Lipid	0.13043478	1.5652174	0.0
26	C24 H40 O2	361.31012	361.31042	0.15369041	361.31015	3612	4559	5171	3252	0	0	113408	0	0	0	20000	0	0	24042	0	0	7715	0	0	0	0	0	0	0	0	16645	114768	26591	5581	8417	0	4274	0	2210	0	0	0	4189	10752	0	6315	0	0	0	0	0	0	0	4907	6007	4385	5113	3061	0	0	0	2917	2679	0	9639	12500	3685	5125	0	25032	0	5891	10260	13796	0	5311	0	0	0	0	2686	0	0	7718	17197	0	12215	7988	13969	0	0	19852	0	2553	11237	7136	3657	0	4421	0	0	5670	0	7521	0	0	0	0	7517	7565	0	0	0	4436	0	Lipid	0.083333336	1.6666666	0.0
18	C16 H11 O9 N1	362.05066	362.05115	0.18185668	362.05072	4431	5120	4394	3758	13816	5839	1411	2171	8579	9420	2599	1258	17823	7014	1622	2174	2263	17410	13153	2802	4257	14724	3524	2297	0	0	0	0	0	0	0	0	2286	0	2749	0	2946	2590	3620	1540	7558	3712	677	0	309	0	4601	560	1788	0	4355	3840	5014	0	10961	9766	3989	3606	0	1843	2692	3046	19284	14341	3210	18014	5239	1676	0	0	0	0	0	0	1456	0	0	1177	4567	12648	5512	2929	0	1394	12158	5538	6090	9269	6078	8300	0	2694	4361	16988	13375	0	7520	2757	4797	12307	9815	1563	2007	0	2418	2015	4432	0	1214	24109	Phytochemical	0.5625	0.6875	0.0625
14	C16 H11 O9 N1	362.05066	362.05118	0.1525381	362.05072	2947	2579	2801	0	12208	5071	0	1368	11485	4174	0	0	19643	4223	1546	0	0	12364	10680	1622	6441	15876	2425	0	0	0	0	0	0	0	0	0	1713	0	6994	0	3513	1107	1673	2997	7529	2381	0	0	0	0	0	0	1918	0	3860	4348	4753	0	11684	11630	5177	2052	0	0	0	3358	26425	19717	3695	16415	3690	1393	0	0	1254	0	0	0	0	0	0	1502	4398	0	3396	2008	0	0	11583	0	4833	6200	5129	7294	0	2660	4581	15880	9870	0	3830	2588	7128	16840	12596	4121	1176	0	0	3827	6626	0	0	24939	Phytochemical	0.5625	0.6875	0.0625
12	C16 H11 O9 N1	362.05066	362.0513	0.14496014	362.05072	0	1784	0	1840	6945	1352	0	0	9601	2986	2950	987	11002	1726	1300	0	0	8141	6824	0	2052	6869	1573	0	0	0	0	0	0	0	0	0	0	0	5010	0	1626	1145	0	0	4674	1739	0	0	0	0	0	0	1306	0	2976	2487	4047	0	10151	8579	2869	0	0	0	0	2191	23406	8960	1889	10692	3921	0	0	0	0	0	0	0	0	0	0	0	1662	0	1064	0	0	0	4873	1649	1478	4252	2107	0	0	0	1784	8389	3035	0	3979	4962	7346	11571	7380	2760	0	0	0	1682	3550	0	0	20098	Phytochemical	0.5625	0.6875	0.0625
16	C16 H11 O9 N1	362.05066	362.05118	0.15176158	362.05072	6797	5257	3657	4908	13656	5259	1633	0	14119	4667	3779	2342	24582	5344	1623	2122	1475	20832	16062	2890	6307	21151	6147	5675	1638	0	0	0	0	0	0	0	2088	0	11496	0	4252	1404	1989	3878	13726	6308	321	0	0	2850	4060	428	0	0	6351	7352	9197	0	12716	7495	3735	2855	0	2727	0	4307	30512	22802	4435	21188	5434	0	0	0	2750	0	0	0	1822	0	0	1586	4747	12730	5611	1172	0	2433	15144	4043	6887	5583	5804	0	0	1801	0	17752	11176	0	4155	3682	7054	12511	11099	1856	1993	0	0	0	6763	0	0	29524	Phytochemical	0.5625	0.6875	0.0625
22	C17 H15 O8 N1	362.08704	362.0875	0.12237988	362.0871	9259	9487	9147	9132	11686	7752	2071	3465	14402	22369	9143	3269	19118	5313	4090	7055	5719	19651	12335	5974	15367	31753	8761	4522	4765	3413	2835	3412	0	2197	3381	0	5943	2943	20906	1967	4095	5311	2843	11239	15164	7353	0	0	1346	9067	16367	0	3309	1620	13576	10216	15041	769	16899	10701	6140	4574	5308	5427	3672	11292	19870	19228	5566	13493	6184	5617	5612	6284	8424	2499	1486	0	0	1199	1196	4379	9876	25538	7185	8304	2882	5866	14740	11194	11245	7742	7607	4884	6061	9997	7679	38919	36858	0	6830	10333	5299	15276	13157	5875	3352	2783	6949	7126	8647	0	4198	28115	Phytochemical	0.47058824	0.88235295	0.05882353
24	C17 H15 O8 N1	362.08704	362.0875	0.11081318	362.0871	4574	4825	7155	5352	4426	3816	1768	1431	4371	14251	2330	1916	10807	2944	1868	2068	1628	11410	5989	4009	10865	18735	3372	2886	3647	1556	1198	1641	0	1279	2109	1867	2371	0	13354	0	1175	2397	1048	5207	10801	2967	0	0	0	5670	8922	0	1414	1448	5183	6093	4162	0	10192	4947	3452	2906	1487	2324	1628	6288	13019	9463	1969	6342	2238	1730	1590	1904	5667	0	958	0	1743	1180	0	1785	5140	15263	2874	4522	2897	1796	4734	0	3726	3798	3174	5889	1636	1692	3414	21117	23347	0	4849	6805	2313	3076	4669	3166	3039	2440	3870	3211	4071	0	2954	14293	Phytochemical	0.47058824	0.88235295	0.05882353
0	C23 H16 N1 S1 Na1	362.09738	362.09796	-0.57792634	362.09717	0	0	0	0	2325	45668	0	0	0	0	19952	0	1982	0	0	0	0	0	1143	0	0	0	0	0	0	0	0	0	1344	0	0	1992	1455	9875	0	0	1616	0	0	0	0	0	0	0	0	0	0	0	1226	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6292	0	0	0	0	0	6942	3426	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3046	0	0	3753	0	0	0	0	0	0	0	0	0	1273	0	0	0	0	1432	0	0	0	0	Organosulfur	0.0	0.6956522	0.04347826
18	C14 H19 O10 N1	362.1082	362.10876	0.2133193	362.10825	5194	3849	4657	4060	6904	6089	0	1903	11247	2549	2828	7798	13996	3453	4535	2106	4771	14930	12270	0	8332	1846	6130	2431	2654	0	0	0	0	2341	0	0	3695	0	0	3069	3835	3760	4514	1644	7305	12756	804	421	565	1702	4686	837	2622	3824	4343	1753	5470	398	20494	11839	4928	1581	1864	5663	2496	3602	15090	20057	5293	8159	7912	4930	8539	0	5182	4100	3357	3157	4281	0	446	6208	3540	0	3834	1749	1776	0	13334	4530	0	6481	4808	2759	3372	0	3678	4056	0	578	2068	6249	9776	6926	10871	6708	4265	2614	2875	3548	10256	613	0	13570	Unclassified	0.71428573	1.3571428	0.071428575
2	C18 H19 O7 N1	362.12344	362.12415	0.09496593	362.12347	9638	7657	9672	6152	22808	0	3860	6526	13719	10359	13822	6777	22883	4520	4827	1537	5468	14190	13844	6588	21262	12870	9605	6927	906	5779	0	7739	6046	3617	7483	2953	12286	5745	19907	5889	7496	5130	6719	8317	16721	3985	227	0	464	5110	9433	406	6358	1928	11126	9084	10229	235	15799	10179	4636	7842	3339	6099	2630	5673	17661	13763	3357	16108	9401	8956	12650	10944	19377	6694	5330	3334	1363	5118	263	3192	7964	4855	5334	5088	3488	4139	16112	4988	6411	10222	8718	14639	2928	6817	10421	11350	2523	610	9125	8640	10553	11622	10222	7397	5179	4442	7443	8169	9291	0	3815	20357	Phytochemical	0.3888889	1.0555556	0.055555556
18	C15 H23 O7 N1 S1	362.1268	362.1273	0.09132311	362.12683	5569	5249	8873	8047	3457	9890	4759	6699	4400	7818	5444	4220	6778	2313	4855	9567	8178	7819	9341	16908	5736	10394	3843	6399	6982	3647	5575	5051	10662	5154	5806	5784	10613	5970	7024	4343	8023	3033	7857	11578	3356	10276	0	0	0	5321	3873	0	10357	4505	5299	7079	5358	0	3807	3331	2476	8475	8436	5487	5370	7289	3353	3619	2705	5653	5727	8382	7061	6652	4335	4835	5830	4835	8306	0	0	2996	3789	7813	4129	4065	5003	6974	5061	5682	6798	6363	6593	6739	14714	20213	7645	6376	10062	0	7713	10230	2965	3873	3656	10405	3739	9979	4648	7242	6558	0	6144	3981	Organosulfur	0.46666667	1.5333333	0.06666667
16	C15 H23 O7 N1 S1	362.1268	362.1273	0.055872235	362.12683	5123	5130	10441	7853	8868	11408	5639	8454	5758	8228	6263	2153	12571	2644	7056	5611	8326	7716	10467	12343	8305	13313	5957	10330	7206	5137	3648	3785	7431	6179	4861	8514	7916	4262	12215	4056	3243	3558	5526	8674	5987	5628	0	0	0	7988	7328	0	7161	4940	6987	8142	6031	0	8919	3503	3452	15231	8024	5579	11432	9729	1882	4581	3575	5770	4915	3873	4078	6633	5648	5458	2536	4823	10200	3511	0	3491	3508	6231	2484	6279	5228	6990	4105	3680	6870	5599	5175	0	17077	29860	0	8962	18903	0	5149	11110	5947	5500	5826	10187	3493	12133	3689	0	5047	0	3659	10464	Organosulfur	0.46666667	1.5333333	0.06666667
14	C15 H23 O7 N1 S1	362.1268	362.1273	0.021911414	362.1268	3519	4252	5377	3301	6099	5604	2800	4686	3364	3128	5514	2836	11142	3575	4931	7964	3886	8879	8148	6108	7686	8762	3293	7396	6374	3726	2470	0	6197	4412	6919	0	6370	4858	7513	4555	6292	5644	7143	10213	3828	4532	0	0	0	4947	5192	0	5932	0	6611	6574	5418	0	6481	4006	4990	5691	0	0	0	6673	3977	2498	3237	5170	4426	4360	0	3758	3771	3714	3337	2600	4853	2060	0	5139	2905	0	1856	4792	4777	2651	5896	3215	4088	4636	3209	6694	19788	20549	11858	4045	12082	0	4625	5737	2869	4411	3386	4596	3100	6435	0	5503	7641	0	2701	7393	Organosulfur	0.46666667	1.5333333	0.06666667
2	C17 H19 O6 N3	362.13467	362.13538	0.06570247	362.13467	9733	12049	8157	9261	9384	0	7789	13374	12263	9028	10297	10643	15891	5638	10732	3287	17877	13668	14419	9481	20641	16488	12747	9007	4344	3855	1801	5835	11071	6280	11496	9138	16963	9413	18303	8688	12287	9928	19849	11180	19561	9414	0	0	0	6769	11892	0	9643	7586	10083	10525	11325	0	13980	7651	6861	11949	6626	11017	3850	8212	16841	12578	8260	13560	10850	19145	7061	7771	13994	9389	7947	5947	2147	6682	0	7642	14821	8103	11611	6586	5678	5424	10028	8586	14029	14860	10236	33518	9001	14260	23405	12583	3218	0	12899	11284	7425	12305	11020	8428	9426	7572	8586	16935	8688	0	10090	17516	Peptide	0.3529412	1.117647	0.1764706
14	C17 H19 O6 N3	362.13467	362.1352	0.04529776	362.13467	30312	25999	26593	29498	0	15290	0	27455	14583	20900	21066	19183	22685	13297	24241	30364	34296	23610	32729	21460	28142	38785	20846	40011	31113	16103	23261	24706	27411	27598	20588	34113	43804	24439	30667	22179	31950	23091	43498	37294	34292	23280	0	0	0	28625	25518	0	0	17168	27147	25368	19332	0	22314	11092	13761	36535	25602	22680	35793	28507	19300	18296	13860	22770	21389	41591	0	21250	18585	20363	23537	13224	25754	20767	0	20598	33913	28639	27061	19051	27575	0	16439	11492	38663	24324	20167	0	39420	0	74163	24860	31166	0	27808	22513	12344	0	11267	37557	18626	34809	16829	43013	12634	0	32255	24197	Peptide	0.3529412	1.117647	0.1764706
8	C14 H23 O6 N3 S1	362.13803	362.1384	-0.26423043	362.13794	1998	1930	1627	1908	0	955	0	3413	0	0	0	2869	0	0	4662	2509	0	0	0	0	0	8373	1691	932	15322	804	949	0	3555	4098	4637	3986	4394	2483	1076	5120	2964	2102	0	0	0	1037	0	0	0	0	0	0	4781	3989	2713	0	0	0	0	0	0	2369	0	0	0	0	0	0	0	0	1002	0	0	0	0	4536	5004	4380	0	4299	0	5422	987	0	1045	0	740	0	0	0	2164	731	0	3468	0	8675	33997	0	0	0	1415	2714	0	0	0	3843	4716	0	0	20129	0	0	1834	0	Peptide	0.42857143	1.6428572	0.21428572
0	C19 H23 O4 N1 S1	362.14206	362.14267	0.52484274	362.14224	0	0	0	0	0	0	0	3232	0	0	0	0	2521	0	0	0	0	3143	1510	0	0	0	0	2234	0	0	0	633	3245	0	2244	2682	4965	14482	979	2545	3082	0	695	0	0	0	0	0	0	0	0	0	2688	0	1636	0	1186	0	0	0	0	0	0	0	0	0	0	0	0	1944	0	0	0	0	0	14771	10510	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4261	1682	0	24596	10543	0	0	0	0	0	2128	0	0	0	0	0	0	0	0	0	0	0	3011	Organosulfur	0.21052632	1.2105263	0.05263158
6	C15 H23 O9 N1	362.14456	362.14514	-3.07403E-4	362.14456	25931	25981	23918	26901	23522	17862	20059	32303	43093	18315	16213	23695	59596	12667	29548	38846	32589	52473	52534	26915	25319	19845	34890	37032	11692	5317	17078	5953	35634	29902	23232	24855	33431	24610	23368	33351	26645	20819	25519	12544	16756	30296	752	0	0	20259	22463	0	29069	33867	23583	25539	25753	272	68042	51202	21410	25496	25064	24530	40199	11679	48608	42669	19011	36891	29912	25296	9907	6109	0	26999	25169	30892	17526	25795	0	21610	22093	6495	18053	10503	11643	0	51310	31283	21461	21132	23582	19176	10062	18805	35490	10479	14450	0	26090	41866	28995	37828	61377	38470	18907	35108	19808	24104	42520	0	12458	56124	Lipid	0.6	1.5333333	0.06666667
6	C14 H23 O8 N3	362.1558	362.15646	0.37111077	362.1559	6052	5089	4516	5334	920	1439	0	0	2811	4805	20623	0	2441	460	2158	3244	3353	2085	2161	0	0	3290	2190	1670	0	0	0	97345	0	0	3029	2324	3081	2448	1332	0	3041	2556	4102	0	0	1559	0	0	0	0	0	0	0	0	4635	3989	0	0	2245	0	782	1860	0	0	0	0	1244	1342	777	2185	0	3286	0	0	0	2521	0	0	0	0	0	0	2196	113473	1304	0	404	0	1469	1732	2129	1992	1308	3672	203994	74681	3715	49724	12616	0	7029	5272	748	875	2225	2611	0	0	0	2976	1110	0	1461	2510	Peptide	0.5714286	1.6428572	0.21428572
0	C14 H23 O8 N3	362.1558	362.1565	-0.06682184	362.15576	4275	4377	3753	5463	8496	10987	0	4887	3570	1140	2415	2382	8099	4065	0	0	1142	6742	5069	0	1696	4587	2738	4929	1853	0	0	5043	8700	0	4623	6971	10191	9560	1728	6798	6432	894	1426	0	0	5809	0	0	0	0	0	0	7265	3245	5108	2811	7095	0	3375	1381	0	7043	533	0	2370	0	5563	3180	2035	9676	6069	2018	0	0	0	6040	7561	5257	0	4852	0	2294	1756	3312	1298	0	0	0	1105	0	1568	4523	6494	3363	43663	11522	7752	2000	0	0	5343	3406	1302	1419	1558	3960	0	0	0	8864	1460	0	0	12961	Peptide	0.5714286	1.6428572	0.21428572
8	C14 H23 O8 N3	362.1558	362.15656	0.26179677	362.15588	5878	4630	4190	4154	0	2048	3448	0	0	4254	11002	3176	0	0	6768	5236	4206	0	0	3262	2006	4770	3102	6022	6783	1506	1902	87684	4052	3354	4310	4636	6640	6054	1699	5136	6247	2768	4482	0	0	0	0	0	0	0	0	0	3782	6612	2444	3944	0	0	0	0	0	6974	2032	0	0	0	2506	1546	0	2690	0	5886	0	0	0	9528	2844	5288	4208	2290	0	3290	3664	82916	0	2165	1524	0	878	0	1027	1288	0	8554	172144	57966	5716	27244	13596	0	6208	5960	0	0	0	11243	3648	0	0	0	0	0	3042	0	Peptide	0.5714286	1.6428572	0.21428572
12	C23 H23 O1 N1 S1	362.15732	362.15814	0.6960737	362.15756	0	0	0	1329	0	0	0	0	0	0	0	0	0	0	0	0	0	1209	0	0	0	0	0	0	0	0	0	81760	1739	1068	0	0	0	0	0	0	0	0	0	1582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2403	0	0	0	2119	0	0	0	1954	0	0	1104	0	0	0	0	0	0	0	0	3479	0	0	0	0	0	1584	0	0	0	0	0	1275	0	0	0	0	0	0	0	Organosulfur	0.04347826	1.0	0.04347826
22	C16 H27 O6 N1 S1	362.16318	362.16357	0.05128544	362.1632	14227	14880	15871	17344	1943	3066	13192	31609	1794	7368	7826	19295	2423	0	15261	35247	23894	4177	7012	3885	8699	14413	19785	27130	8398	0	7522	2619	26594	17814	30148	28019	16293	22508	9866	18270	18032	14123	30271	17779	20127	8658	0	0	0	12123	5048	0	46910	16344	19803	14487	4678	0	0	0	3811	45028	14800	22928	31313	9169	0	0	3111	2734	9281	35098	0	4613	0	25436	21247	14737	26255	25387	0	16263	16863	5984	19183	14222	19606	1438	2656	3388	10707	8280	9061	20540	25353	20443	23192	7133	10454	0	12782	16080	2098	1141	2570	17958	15827	25344	9828	58882	2347	0	12832	2488	Organosulfur	0.375	1.6875	0.0625
16	C16 H27 O6 N1 S1	362.16318	362.1636	-0.03617339	362.16318	3174	0	2328	2421	3100	2500	4071	5488	1831	2983	0	3277	3805	1529	2375	10330	4519	0	4811	2312	4083	4949	3454	6066	4465	0	2331	0	3323	3511	1870	0	3160	2496	1940	2042	4087	3475	6494	1379	1551	3505	0	0	0	3446	2085	0	4660	2169	3335	3491	4291	0	0	2539	2930	6981	0	0	0	1371	0	1469	2060	3936	4309	5483	0	2949	1915	2295	2465	0	3964	1727	0	1426	6116	0	10857	1961	0	0	1544	2258	3803	3636	3735	51143	0	7886	0	1893	6108	0	4779	4076	1260	2005	2694	3511	1572	1723	0	0	1444	0	10642	0	Organosulfur	0.375	1.6875	0.0625
18	C16 H27 O6 N1 S1	362.16318	362.16364	0.05319551	362.1632	6683	5636	7585	6826	5655	4400	3665	3773	2912	0	0	3183	9624	2875	5808	14612	6820	9571	7801	0	0	4459	3363	7831	9216	1731	4651	1802	5409	3945	3157	4039	4097	7606	0	4741	3178	6551	9614	1991	2336	6914	0	0	0	2239	3117	0	7920	4054	7204	4659	6034	0	2165	2914	5116	12500	0	1563	9259	1088	0	2427	3819	10197	11867	8643	1990	3886	0	5463	3944	5224	7209	0	0	2228	16302	3893	12500	1783	4665	0	1397	7117	20875	8368	3707	85565	7919	6953	8246	1753	3935	0	5801	0	3990	3710	6479	3535	3751	4615	2480	5919	5017	0	15011	3042	Organosulfur	0.375	1.6875	0.0625
24	C16 H27 O6 N1 S1	362.16318	362.16354	0.04192521	362.1632	10014	10879	12988	8718	1434	5022	8733	35687	1299	0	1047	21303	0	0	16863	43013	14922	4821	3000	2669	1628	6971	20097	28823	8714	1376	5298	1515	19133	13696	25807	21807	11817	21066	1848	20937	11256	15918	11724	1184	0	4965	0	0	0	5301	0	0	51493	24138	11423	8745	2602	0	0	0	2887	36849	8943	9442	30453	1861	0	1471	4286	0	4478	17265	0	0	0	24840	15779	15818	17598	17569	0	18878	13783	1929	15057	2356	10220	0	0	0	7076	4188	7339	13567	9795	8747	18007	1794	1666	0	8907	7553	0	0	0	9586	13611	27197	0	47064	0	0	12581	0	Organosulfur	0.375	1.6875	0.0625
10	C18 H23 O5 N3	362.17105	362.17163	0.029480161	362.17105	68016	66034	63498	62045	13731	20210	44213	73575	15108	53309	40752	47293	12701	0	46525	66056	52060	23666	32595	72794	62034	83975	45592	85060	57462	26902	45474	48918	51975	56349	58901	67856	71846	60803	61223	59176	72635	44523	67522	71001	68660	24309	0	0	0	69802	59397	0	79431	59551	68014	66961	20743	0	16753	6446	18120	77624	55208	51408	66100	47194	14577	13865	13238	19286	27449	69293	21068	43724	34568	66615	57780	59717	47573	51885	0	39648	48497	59585	45001	38709	53039	41251	10118	14016	0	31503	29928	0	422654	543241	106984	50346	68277	0	64264	60994	10863	10219	9612	65326	39264	79952	28806	66814	11803	0	54526	21220	Peptide	0.2777778	1.2777778	0.16666667
6	C16 H27 O8 N1	362.18094	362.18152	-0.03744659	362.18094	16357	12634	13000	12866	9903	8180	12151	21288	12933	5976	5972	8483	20610	6891	14230	16302	14791	15548	19741	9004	9487	12171	14691	18592	9570	0	11823	0	18466	19996	12827	20813	17163	17326	10121	19077	18347	11737	15852	0	4960	8596	0	0	0	11188	10405	0	22324	16625	14449	12570	8995	0	18850	12566	6441	16341	10677	9775	18222	3244	12725	8406	6394	14733	9230	15771	3761	5749	0	19242	16895	18126	7771	13214	0	9509	10692	0	8683	5855	7519	0	14761	11257	12108	8930	9589	13760	9942	12300	20921	5807	7125	0	11338	15285	7586	10658	17470	18977	9911	15885	0	13018	12552	0	8233	18114	Lipid	0.5	1.6875	0.0625
20	C16 H27 O8 N1	362.18094	362.1814	0.10505481	362.18097	19238	21218	18396	15362	19279	18251	13895	18417	23613	16867	8012	10052	42645	14378	20493	12885	15726	35471	35992	8605	15124	11266	13415	14079	11971	4512	21864	40985	23633	17804	14767	22132	22535	17073	19598	17849	23605	16107	18524	11547	6295	15164	2850	2123	1474	7168	5988	2487	17639	9653	19234	18387	17779	1781	53564	20657	14307	17040	15964	5732	20939	7976	29732	28951	13601	30492	19649	13826	4159	7986	8835	14403	20128	24853	19976	17115	1883	14423	19072	8044	9606	6364	14870	8843	40700	24220	15227	9975	14058	22542	22375	26077	17243	6936	6287	2218	22637	24996	11051	18002	33520	23832	9549	18569	6328	15314	56347	2393	13026	41747	Lipid	0.5	1.6875	0.0625
16	C25 H24 N1 Na1	362.18793	362.18848	0.52867347	362.1881	0	1939	0	0	0	0	6116	0	0	0	0	3969	0	0	1524	6308	12439	0	0	0	0	0	0	2065	1273	0	6941	0	0	0	0	0	0	0	0	0	0	1537	18762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7866	0	0	0	0	0	0	0	1222	0	0	21857	0	0	0	0	0	0	6661	0	0	1463	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1781	0	0	0	0	0	0	0	Phytochemical	0.0	0.96	0.04
2	C15 H27 O7 N3	362.19217	362.19284	0.06435147	362.1922	33308	32014	26671	31358	9512	142269	5358	22401	6192	3935	23053	7409	28486	5401	7309	19567	13927	58379	14608	3513	3106	23006	9853	38771	8328	0	3202	177713	23205	9313	17373	17651	26670	23137	4298	14789	56794	6488	18150	874	0	24037	308	0	0	5444	1596	0	22342	12290	30623	29920	10500	0	6346	4392	2874	35890	1733	1038	18650	0	9539	5846	4765	28910	14492	15887	0	1847	0	33623	21886	10771	4915	10842	0	6557	10988	1091602	8395	928	771	371	5302	4675	10184	26115	15930	19594	720585	369032	55130	135371	2411	0	30052	26871	4806	3487	5079	18160	7075	5130	869	28103	5134	0	8856	25980	Peptide	0.46666667	1.8	0.2
0	C15 H27 O7 N3	362.19217	362.19284	-0.08006923	362.19214	11564	8688	9524	9661	12114	31824	4786	16445	7295	1489	1071	6360	35379	7247	5864	6634	3306	47001	10961	0	3346	8949	8328	17682	6422	0	0	3321	24358	7011	14539	16598	37046	37562	4743	15741	21688	5841	7003	1462	0	11863	2361	0	0	3829	0	0	17432	8615	8428	10032	12298	0	7117	3451	2164	18563	1697	819	14299	0	14448	8482	4225	31077	20083	6741	0	0	0	55598	39087	18954	0	11314	0	9162	4194	5039	4296	578	1393	0	3792	3529	4493	17549	13198	5963	10223	5997	15498	2462	0	0	11044	9420	3067	2076	3698	10021	7679	3089	0	20251	4743	0	4006	33966	Peptide	0.46666667	1.8	0.2
8	C15 H27 O7 N3	362.19217	362.19272	0.26671478	362.19226	1971	0	1236	2536	0	1070	0	956	0	0	1161	0	0	0	0	1744	0	0	1058	0	0	1032	0	0	855	0	1111	11532	0	775	976	1113	0	0	0	875	0	1049	1387	0	0	0	0	0	0	0	0	0	1544	1180	1750	1693	0	0	0	0	0	1263	0	0	0	0	0	0	0	0	0	1270	0	0	0	0	0	1272	0	864	0	617	880	18983	0	0	0	0	0	0	802	0	0	0	72461	28963	0	3697	0	0	1165	1447	0	0	0	0	0	0	0	0	0	0	793	0	Peptide	0.46666667	1.8	0.2
4	C20 H27 O5 N1	362.1962	362.19687	0.011317621	362.1962	50512	59830	55079	51987	9281	15595	37651	107253	9909	60422	31170	49041	9502	6855	51093	91263	79920	18065	25114	90857	82552	67458	48172	89076	52991	45706	44622	30457	77921	69769	75291	78986	73702	64296	81444	93559	70821	45228	84261	65293	60990	25486	0	0	0	52356	60439	0	93748	97378	50875	47303	16804	286	15329	4397	12776	62763	5686	14055	73268	36657	9500	11955	11682	14085	22554	87247	32536	55176	52301	74141	72037	100802	81665	66516	0	51217	50825	53428	50218	17831	26291	51051	11135	14574	43828	18860	26245	95362	47238	31255	114220	39830	75116	460	49288	57930	8772	5178	7448	72155	41800	100725	28693	79354	6507	0	60527	10134	Lipid	0.25	1.35	0.05
6	C20 H27 O5 N1	362.1962	362.1968	0.01480321	362.1962	129976	138492	121394	129219	20224	62247	74489	148190	25448	176032	88743	71890	29052	17892	79415	151517	99824	48014	58299	186641	199315	124526	70194	140048	78509	93733	71180	296570	136123	117929	125500	158087	156980	131544	187645	141226	149024	70300	134632	115449	97015	45939	872	0	0	95568	105429	0	171719	121269	139822	135565	34507	299	28712	11104	21530	131569	6032	18611	135558	59803	28297	26029	20878	39987	53363	135013	70091	160294	134107	133789	134020	145828	102835	113761	0	74151	66394	267203	71267	23070	28448	80574	19361	20661	73892	46970	52985	200442	3076119	1367128	193261	159742	174905	0	143159	125244	18297	12053	15192	138146	67072	135308	52002	143951	14204	0	81081	32210	Lipid	0.25	1.35	0.05
14	C20 H27 O5 N1	362.1962	362.19672	0.048130505	362.19623	77176	71752	68416	75852	38363	33812	69290	81883	32113	100381	73023	51513	30399	26360	52851	90559	96550	39552	44854	151212	164715	93722	55031	84041	58565	142209	57798	72207	67324	68916	60423	70137	89110	67446	122808	66112	74883	43212	96671	98853	112866	46378	0	405	329	66752	78012	0	83664	70857	74861	74962	36917	0	34679	23855	27233	102562	27942	73346	71518	54561	38584	29884	23798	42640	47092	111365	109016	158818	208070	58909	67737	70594	82011	68633	0	44130	72381	57389	62472	42478	47366	66851	34123	27862	65786	35274	41918	159204	112364	68961	121899	61652	94924	541	69848	75285	23993	28064	29438	81299	42572	90930	36992	80011	26862	0	62720	32710	Lipid	0.25	1.35	0.05
10	C20 H27 O5 N1	362.1962	362.19675	0.02646135	362.1962	79098	69628	76461	77004	27148	28784	50919	92995	25788	138402	69065	50636	31436	18794	53154	107535	76074	38337	53420	176218	169376	86688	55996	88251	53509	115276	63018	68758	79912	72912	69773	95629	103460	73143	163475	80533	110076	48199	94867	109548	89130	31005	828	0	0	68052	64743	0	106638	70657	82453	76311	39122	0	34236	15900	20481	97616	9362	32515	86153	49891	29129	29319	22220	35775	36222	101715	105024	177085	151782	86826	78236	78256	86004	71861	0	49295	63810	63494	53960	22358	21246	62179	22317	22005	50499	36774	37624	103514	179570	48389	102262	55538	104475	0	77286	79481	17409	19585	21693	93335	53540	82938	30319	71591	17527	0	52204	29208	Lipid	0.25	1.35	0.05
2	C20 H27 O5 N1	362.1962	362.19684	-0.05462679	362.19617	16186	15846	13221	15480	2173	0	18290	32589	2694	16275	9907	18031	1622	2188	18985	24189	25693	4269	6699	23638	25820	18407	17336	26028	15436	11312	13419	7630	31371	26313	24097	27389	22935	24297	20553	30480	22357	14712	26794	19878	20858	7343	267	0	0	14672	16762	0	27808	28096	13502	14897	3947	0	2912	1458	4304	21315	4172	6788	19506	12168	1961	3547	3655	4057	7613	29456	10973	12889	15026	23061	27340	34399	26644	27649	0	17693	15650	7979	15272	7135	9756	13824	1818	4923	12716	6723	7830	28224	9360	9997	27376	11653	21598	0	17748	19476	2815	1144	1681	20550	15596	28358	9040	18378	1548	0	16785	1919	Lipid	0.25	1.35	0.05
12	C20 H27 O5 N1	362.1962	362.19675	0.071037225	362.19623	86627	100482	90653	88590	37175	27807	190297	105027	29081	96696	60653	186520	23373	18308	100725	269046	129822	46604	62368	136654	142381	70945	75226	72714	112711	102089	189620	46982	66073	59745	107344	54994	200052	48773	133028	61062	183905	113260	182496	89884	94491	36861	666	418	249	65024	67159	0	151688	76785	90033	79649	216930	278	30445	18568	71126	217044	12693	44719	194325	44150	32458	23575	74522	193339	50209	137537	63342	165613	143893	75346	48913	59584	104497	52147	215	149980	143757	50339	117824	34711	29460	60009	20715	49775	133769	37927	48900	116325	76406	56152	100148	57723	66754	0	101071	113800	20048	19092	25145	171470	136754	63162	23462	107535	23685	0	164778	53974	Lipid	0.25	1.35	0.05
20	C17 H31 O5 N1 S1	362.1996	362.19998	-0.053478956	362.19955	1919	0	1525	2007	1750	1352	7220	0	0	0	0	1253	0	0	0	0	8351	0	0	0	0	1459	0	0	1782	0	22195	0	0	2093	0	1779	1737	2638	0	0	0	2021	7979	0	0	1825	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1080	0	0	0	0	0	0	0	0	3144	2500	20266	0	0	1985	0	1549	3730	15676	2173	0	1075	4660	0	1601	0	0	0	1280	0	4638	1767	0	13765	0	2029	1883	0	0	0	1986	2592	0	0	0	2328	1153	0	0	0	0	0	0	0	Organosulfur	0.29411766	1.8235294	0.05882353
12	C19 H27 O4 N3	362.20743	362.20792	0.07003164	362.20746	3907	4194	5785	4663	0	0	0	2860	966	3341	3041	1580	0	0	1865	3731	2378	1292	0	3612	4537	4077	2335	3218	3498	3417	1974	11150	5996	2463	2654	2054	4659	2041	2785	1798	4840	1713	2952	4517	0	1027	0	0	0	2954	0	0	4535	2844	3411	5328	1700	0	0	0	0	3664	0	0	0	2107	0	0	749	0	1319	6996	0	4690	6606	3039	2337	2314	3362	1781	0	2246	1989	48276	2834	0	2240	3342	0	0	2630	1105	1545	5754	198980	33446	7079	13842	5205	0	2933	0	0	0	1027	2642	2153	0	0	3913	0	0	2346	0	Peptide	0.21052632	1.4210526	0.15789473
6	C19 H27 O4 N3	362.20743	362.208	-0.003815001	362.20743	7831	9750	8236	10229	2213	4145	7603	12178	1328	8671	4286	6086	1487	1661	7823	11369	8141	2881	4871	13871	10495	12786	7496	12100	10758	3821	8456	9068	11764	7045	11942	11359	12710	10021	12173	8989	14537	7300	12586	11491	9170	5055	0	0	0	9828	7569	0	13598	10415	12126	11273	3425	0	2729	595	2091	12795	0	1435	12431	5498	1154	1792	3445	1895	4427	15583	3507	6081	5169	10199	9521	8526	11157	7121	0	6573	6222	24199	6877	2038	3547	8293	1255	2354	7718	4480	4820	19561	48014	21029	23751	10904	16586	0	11842	10980	1348	822	0	10096	6191	13762	0	11802	2091	0	9818	1321	Peptide	0.21052632	1.4210526	0.15789473
6	C16 H31 O4 N3 S1	362.21082	362.21127	-0.105434634	362.21075	0	632	662	0	0	6264	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15498	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	735	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	125762	0	0	0	0	0	1115	0	0	0	0	52107	7227	0	4066	0	0	988	851	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.9375	0.1875
2	C17 H31 O7 N1	362.21732	362.218	-0.1024181	362.2173	1980	1928	2825	2598	840	0	2246	2599	661	1062	0	1431	882	545	2093	1023	1222	1356	1318	1468	902	1296	0	1903	1564	782	0	5150	4459	2288	2503	3290	3711	2679	1786	3474	3651	1761	1507	678	6560	0	0	0	0	881	32831	0	2777	1674	2719	1929	719	0	1428	824	415	3308	916	0	1970	11969	795	761	2479	1594	1325	2585	55330	898	33500	1760	3289	3912	0	2957	0	1391	1426	4320	0	6792	767	0	660	886	3852	667	982	3046	4277	7896	2120	895	947	0	2113	2260	0	458	587	2457	1016	1518	7167	1533	711	0	1349	817	Lipid	0.4117647	1.8235294	0.05882353
16	C17 H31 O7 N1	362.21732	362.21774	0.08287779	362.21735	3219	3229	4822	4102	3789	2715	24749	4446	1435	0	1887	1247	2967	4743	6966	6441	4898	0	7792	0	0	0	3371	5251	9993	2856	7573	0	5987	7045	4486	6221	6618	3618	0	5362	5028	3976	4822	1364	0	4629	1158	0	0	2647	0	0	6636	5928	4452	1572	3316	0	6294	4256	3938	6214	0	0	0	0	4203	2782	6303	6059	5728	3583	0	0	0	3946	4668	5188	6083	4249	0	4596	4133	0	1981	0	33085	11715	3415	4190	5896	4322	3928	0	7156	5228	0	0	0	0	0	7701	3658	2813	3018	8418	3985	3380	0	0	2181	0	5839	1858	Lipid	0.4117647	1.8235294	0.05882353
16	C15 H31 O3 N5 S1	362.22205	362.22302	0.11186335	362.22208	169134	191772	167771	178056	16624	14988	186105	61405	32201	317160	262464	50054	14032	63335	54245	40595	115518	9053	9502	86115	15434	244132	20179	69328	4389	5383	260627	659235	16952	12970	25772	29552	24139	17141	34759	19933	16164	101458	113699	85019	408740	21076	106605	3324	2192	126235	223837	10656	31477	42549	195141	154186	9768	12256	6243	3977	7713	290931	691712	567243	1759490	161530	101155	16897	12162	16945	37301	29918	648043	121479	107605	27748	15535	16420	8170	23969	4211	52872	7922	879632	4203	19625	39765	5739	1697	3646	3685	23142	16516	287429	128992	132100	39009	240201	82886	10814	180014	125692	73976	3533	4048	135270	36985	412923	86471	20600	4587	6866	6439	40215	Peptide	0.2	2.0666666	0.33333334
6	C21 H31 O4 N1	362.23257	362.2332	0.001134723	362.23257	24632	22893	25734	22784	2963	52375	18419	50189	1343	26924	15161	23733	1101	2027	30021	47992	26995	3288	7845	40632	32114	18414	21513	44685	27688	34006	20140	10006	38906	40466	40788	44063	36800	34424	30078	40265	38714	23405	31629	22765	4197	12796	0	0	0	14154	15105	0	48092	46331	24296	26951	6655	0	2028	643	4460	43526	0	0	45170	9382	1035	0	3500	3920	9568	39356	16708	29213	33234	42218	37773	46161	32644	33773	0	26726	16052	13859	16066	1186	1943	16307	7885	3796	16707	8215	10721	43408	36296	8997	59393	17221	33068	0	24373	26077	1041	884	737	36696	20870	33570	0	43288	899	0	19472	1999	Lipid	0.1904762	1.4761904	0.04761905
20	C21 H31 O4 N1	362.23257	362.233	0.06904633	362.2326	32355	29768	32322	30904	12160	17314	22567	25019	10217	27357	29152	17919	12567	13394	17256	47141	49917	11950	16429	29844	37841	53339	19824	35388	25968	66717	27696	28578	31596	33443	19985	29426	33711	35536	35205	29305	28554	15159	44034	34167	57207	13623	2033	1579	677	29120	40718	1527	28391	29170	30189	25737	13056	1957	8361	11297	14753	43738	18109	42228	36920	22676	10041	9570	10892	10390	15999	50760	41396	45824	78276	26363	31106	28382	47931	24983	1121	18748	25547	52678	16556	12685	23659	18401	14069	13506	40150	17299	18258	255674	99835	72383	69240	45025	53464	1962	26652	40647	7446	30281	33656	39246	21306	45762	15019	42849	13781	1593	31753	8759	Lipid	0.1904762	1.4761904	0.04761905
18	C21 H31 O4 N1	362.23257	362.233	0.012412166	362.23257	23091	19614	18970	22512	8550	93674	20451	32920	3271	9845	19175	22441	2113	2647	16891	35229	36016	2991	6739	23923	28211	17215	12850	23170	13183	31596	19643	17907	20737	23954	22931	19330	26858	17201	20582	31418	20401	13959	38425	16727	35381	16250	2602	2619	1153	14333	24228	2003	26525	28382	16410	23062	8147	2190	4548	4381	6451	28349	9191	31428	26732	9669	0	5299	5059	3783	8484	43714	16752	14377	24873	12172	9245	31921	38051	19420	1592	15011	17202	21886	14908	11684	11127	15513	4294	6930	16326	10444	6606	50341	24967	17499	26867	19448	19372	2053	18218	16591	4220	5536	7732	23719	17533	22226	12519	22845	4929	2559	21723	4252	Lipid	0.1904762	1.4761904	0.04761905
12	C21 H31 O4 N1	362.23257	362.23312	0.09412438	362.2326	22371	21361	20289	19304	4880	45871	42475	45699	2232	24722	15293	21031	4809	5367	18785	48180	20550	4338	8578	45028	33897	14603	16477	27102	24423	19748	57825	21514	28946	34447	34687	29503	33145	30584	36651	27096	31197	21816	18743	21860	4656	12373	0	0	0	18380	11908	0	34106	40018	24989	24924	7999	0	5519	1532	3283	41050	0	0	36977	5976	4239	3616	2831	4994	12877	25805	0	29847	23488	38838	35908	35158	21538	34162	0	27918	12733	0	14719	1209	807	15117	1573	2727	15447	8691	9600	68736	46063	3185	58743	11286	27470	0	23550	21961	1531	1590	3015	30179	25526	18757	0	33935	1008	0	17754	1822	Lipid	0.1904762	1.4761904	0.04761905
10	C21 H31 O4 N1	362.23257	362.23312	0.05238194	362.2326	56801	58905	59047	61570	6378	2962961	51799	87403	2133	48238	34571	43104	1796	3327	42496	65433	57338	8797	13678	63715	50627	27161	36847	69592	51382	22573	65923	31854	67933	72320	68318	80862	80388	63683	56682	73031	78068	31213	53224	43962	7718	131395	0	0	0	32936	35968	0	80688	69932	61669	56078	10689	0	3871	1172	5993	70498	0	0	67644	13043	1277	5526	9668	9023	19480	81503	18269	36678	36863	79999	62767	120700	59440	67616	0	44126	32639	20033	34530	2439	1559	27785	1406	6117	33161	17106	20432	121859	57478	6870	102134	20420	43053	0	62561	58684	3093	2378	1690	75154	40284	42836	16798	106143	3562	0	40683	2083	Lipid	0.1904762	1.4761904	0.04761905
22	C21 H31 O4 N1	362.23257	362.233	0.045786567	362.2326	51892	37462	48101	43514	32949	24665	29246	41197	18232	46662	56616	30765	19429	21878	27221	54514	64286	30968	39812	75847	88759	74090	24358	47369	42901	100682	27372	40545	48542	43963	33476	48877	55507	48388	48499	54255	44414	24536	80147	57532	78171	31637	0	0	0	39523	64277	0	53957	42904	41538	46132	31260	702	17476	17843	16936	54664	31690	63519	59420	39439	16668	15419	16906	29882	36201	68767	73263	82623	121085	42802	41492	38256	51722	43093	0	23796	34059	63769	21674	34288	40699	46226	17655	25244	52911	39169	26803	163260	93240	111243	100075	56295	87037	0	48948	44059	17940	17333	24860	62165	21343	68544	27668	54405	26546	0	44962	22596	Lipid	0.1904762	1.4761904	0.04761905
8	C21 H31 O4 N1	362.23257	362.23315	0.044565607	362.2326	40492	38559	28342	36142	2837	48947	25550	73467	2481	43320	21368	33426	1305	2521	37558	63914	38061	5981	14536	64253	41800	22672	28684	61318	32498	24510	36903	21819	61370	62682	60607	75007	60078	56956	48094	66868	65234	34425	45943	38575	8198	22171	0	0	0	30478	23352	0	68768	68605	33697	38621	11296	0	2621	1685	7511	56391	0	0	60135	10644	1399	4777	8237	5933	15735	55553	17889	31662	31315	68533	64735	71715	52006	61202	0	39636	25922	27641	25099	2076	1432	27088	1628	5982	26538	13123	19858	58007	61248	0	76468	23031	46943	0	42188	35786	1686	1212	0	54970	32768	39148	8693	53224	0	0	27540	2301	Lipid	0.1904762	1.4761904	0.04761905
4	C21 H31 O4 N1	362.23257	362.23322	-0.002476147	362.23257	10135	8819	9039	8461	446	46854	6713	18084	306	6526	3435	9789	0	0	9640	17637	13408	1115	1896	10104	9420	7655	7042	16095	10005	2549	8151	3233	12172	11315	13802	14677	15275	12108	9520	16206	13188	7568	13309	7200	5006	9575	0	0	0	6954	5151	0	17314	17992	8614	6976	2820	0	378	0	2229	11034	0	0	15085	4387	0	330	1524	1159	2844	14175	1941	2983	2467	13073	11200	17966	18223	12750	0	9792	8578	5521	7965	589	1844	6990	0	1537	7429	3077	3179	14529	12083	2004	17668	7145	11717	0	8006	10174	0	0	339	11639	7941	11956	0	10682	0	0	7933	466	Lipid	0.1904762	1.4761904	0.04761905
14	C21 H31 O4 N1	362.23257	362.2331	0.051254187	362.2326	21412	21049	21541	17998	3670	4312	18165	55571	1218	15638	25441	91130	0	2656	46267	42259	31568	1833	4949	26458	25933	8828	27237	30426	12414	17935	40556	16378	41444	54786	38588	45983	41125	28597	21100	48582	27089	57449	28539	16288	5574	8475	0	0	0	13398	6840	0	54420	55208	14632	15204	4637	0	0	0	5116	33003	0	0	30351	4049	0	3429	4652	1731	8978	44731	0	28855	20150	31563	44171	118951	50297	46871	0	77770	10552	0	19922	1025	1667	9049	1242	0	10068	5388	12960	25684	30609	3048	22411	6077	18153	0	20410	21814	0	0	1399	39575	81543	9980	0	23061	1511	0	11587	0	Lipid	0.1904762	1.4761904	0.04761905
16	C21 H31 O4 N1	362.23257	362.23306	0.04505097	362.2326	11782	12930	15371	12805	5429	3737	15279	20216	3420	12666	13795	13544	0	1751	7464	31358	25631	0	2932	13022	18057	8539	10240	23028	11691	13625	18766	11085	26880	25315	27345	30408	24528	23904	10018	27629	20162	13259	23889	10477	9378	6197	0	0	0	6055	7233	0	31740	23294	15276	14130	5081	0	2319	0	3223	29055	0	7803	21329	6151	2346	2293	3043	3260	8265	35435	9197	17491	19128	23588	29488	32823	24680	25372	0	11937	9970	7887	9516	0	1519	12620	1484	2402	13743	6357	10418	56749	27914	7698	0	8463	16349	0	8586	13565	2238	1195	1929	22482	9783	9115	0	17197	3075	0	13566	2165	Lipid	0.1904762	1.4761904	0.04761905
12	C18 H32 O3 N3 Na1	362.24142	362.24197	0.13209485	362.24146	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2103	6264	0	0	0	0	0	0	0	26924	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7683	102306	0	1679	0	0	0	0	0	0	0	0	0	0	0	2519	18143	0	0	0	0	0	38227	0	0	0	Peptide	0.16666667	1.7777778	0.16666667
10	C18 H32 O3 N3 Na1	362.24142	362.24197	0.0473372	362.24142	16046	14366	16947	14620	1553	1503	1123	0	0	0	0	0	1640	0	0	11399	0	4736	1223	0	0	0	0	10588	0	900103	0	0	0	15272	8139	1649	0	0	0	0	0	40418	0	2225	1091	1538	0	0	0	0	0	0	27677	0	16671	15921	11481	0	0	0	750	26757	0	0	0	60782	2552	89414	1580	4167	6480	0	589526	555239	883099	0	1519	0	3637	0	0	0	0	0	0	0	0	0	0	878	2197	4840	2031	0	0	0	0	0	0	0	15553	8844	1210	0	0	0	0	32287	0	0	672	0	0	0	Peptide	0.16666667	1.7777778	0.16666667
22	C18 H35 O6 N1	362.25372	362.25406	0.082169145	362.25375	6828	5775	10157	4702	0	0	43452	25535	0	2092	2659	22492	0	0	5803	37785	43609	0	0	0	0	0	0	0	1763	0	21025	2844	14812	31980	21079	19045	26494	15159	0	18655	27364	5380	43061	0	0	0	0	0	0	0	0	0	26623	19765	6556	5461	0	731	0	0	0	27153	0	0	28997	0	0	0	2344	2030	0	43374	0	0	0	23877	14062	21184	40627	16426	439	19583	0	8527	0	0	6064	2486	0	1393	1572	1157	1953	0	7069	7169	0	0	0	0	5526	5845	0	0	0	27430	20084	0	0	8814	0	0	1791	0	Lipid	0.33333334	1.9444444	0.055555556
18	C18 H35 O6 N1	362.25372	362.25418	0.13299266	362.25375	7769	6653	11258	9953	0	3625	12185	66090	8589	0	3451	5502	0	0	0	68778	49013	1916	0	0	0	4152	0	2342	1475	0	7639	0	22011	9427	28338	11355	5931	15878	13751	11703	8727	1424	36757	0	0	4402	6557	3757	0	0	4008	10104	37363	93149	5581	11021	0	2936	1825	0	1680	34364	1620	2651	70601	0	3399	2753	1573	0	10984	80314	0	0	5927	71023	10031	2282	62843	8108	959	4409	43238	2162	7346	0	2128	0	0	3021	11311	0	1658	10514	0	0	0	29188	0	613	7704	8714	5432	0	13775	7608	0	0	1630	38885	18616	2233	0	0	Lipid	0.33333334	1.9444444	0.055555556
24	C18 H35 O6 N1	362.25372	362.2541	0.19345571	362.25378	1438	0	999	1550	0	0	14489	0	0	0	1116	0	0	1399	1658	0	0	0	0	0	0	0	0	0	0	0	5553	6968	0	0	0	0	0	0	0	1313	0	747	2332	0	1833	0	0	0	0	0	3492	0	0	0	1354	1236	0	0	0	0	718	0	1034	1312	0	0	0	0	4489	2247	2315	1503	0	0	1373	0	0	0	0	1100	0	0	0	11214	0	0	4574	1333	0	0	0	0	922	0	35726	38437	0	2292	0	0	0	1444	0	0	0	0	0	0	6370	0	0	0	0	0	Lipid	0.33333334	1.9444444	0.055555556
28	C22 H35 O3 N1	362.26898	362.2693	-0.052952964	362.26895	854	0	0	841	0	0	1545	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8960	0	0	0	0	0	0	0	0	0	0	0	0	1288	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	854	0	0	0	0	0	0	0	0	1014	0	3316	830	0	0	908	0	0	0	0	0	4940	0	0	0	0	0	0	0	22441	0	0	6361	0	1280	0	0	0	0	1533	0	0	0	0	0	0	0	0	0	0	0	9822	0	Lipid	0.13636364	1.5909091	0.045454547
22	C22 H35 O3 N1	362.26898	362.26938	0.05230693	362.26898	1371	0	0	0	0	0	1690	0	0	0	0	0	0	0	0	3202	3662	0	0	0	0	1742	0	2285	2405	0	1582	0	1516	0	1534	0	0	0	0	0	0	0	1607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3466	0	0	3776	0	0	0	0	0	0	3866	0	0	0	0	0	1107	2142	1348	0	0	2428	0	0	0	0	0	0	0	12219	0	0	55104	4972	0	9170	0	0	0	0	1572	0	0	0	0	0	0	0	4916	0	0	4379	0	Lipid	0.13636364	1.5909091	0.045454547
24	C22 H35 O3 N1	362.26898	362.2693	0.07734696	362.269	2520	3775	3403	2382	2391	1594	5905	4484	0	0	2790	1861	0	0	1672	9569	5328	1880	0	1587	0	2178	0	2936	2218	4429	4488	2355	14293	31788	12794	6230	3187	4638	0	10521	2599	1556	6370	966	2044	0	0	0	0	2379	1257	0	21374	2386	3082	2134	0	0	0	0	683	3476	0	2144	5405	0	0	0	0	0	1719	7069	1522	1640	2366	3405	40198	35645	11841	26165	0	2601	1903	3043	2237	1035	1642	3607	1251	0	10422	1468	822	43140	6237	2539	9044	0	0	0	3038	2256	919	0	0	4669	2566	2036	0	4016	0	0	3845	0	Lipid	0.13636364	1.5909091	0.045454547
14	C22 H35 O3 N1	362.26898	362.2694	0.07508212	362.269	0	0	3371	0	0	3698	0	4243	0	0	0	1537	0	0	2762	6697	0	0	2021	0	0	0	0	3770	10474	0	0	0	1571	2723	4331	0	4474	0	0	4143	1418	1136	0	1913	0	0	0	0	0	0	0	0	3561	4676	0	1958	0	0	0	0	667	5002	0	0	0	0	0	0	0	0	1233	0	0	2188	0	4873	2097	2746	3193	2460	0	2623	0	0	0	0	0	0	0	0	3373	0	1169	15747	4861	0	27013	0	2289	0	1790	0	0	0	0	2391	1854	0	0	6032	0	0	1854	0	Lipid	0.13636364	1.5909091	0.045454547
26	C22 H35 O3 N1	362.26898	362.26923	-0.20104119	362.2689	5629	4594	4491	4553	1964	0	6473	0	0	0	4783	5243	0	0	0	9731	13811	0	0	0	0	3810	0	7552	15062	6575	4581	7326	6713	9976	6099	5620	4150	4700	0	15014	2413	5423	8550	0	2975	0	0	0	0	0	0	0	6679	6562	3903	5405	0	0	0	0	0	8904	2303	5245	6163	0	0	0	0	3662	4469	9501	0	0	3267	2451	5924	0	0	4557	0	0	19425	5648	5066	2865	3839	2084	0	0	110928	0	0	74136	6695	9121	7639	4256	0	0	5142	0	0	2516	0	10433	4082	6230	0	7150	0	0	22372	0	Lipid	0.13636364	1.5909091	0.045454547
24	C19 H39 O3 N1 S1	362.27234	362.2726	0.15514302	362.2724	4516	4399	6844	3346	3605	43861	0	0	0	0	0	194970	2597	0	12784	4828	0	1991	0	0	0	0	123462	4655	0	0	0	0	2043	0	1107	2556	2700	14534	0	0	10362	1612	0	0	0	2642	15539	5700	0	0	0	0	10920	0	3851	5859	2631	0	0	0	0	0	0	1437	5441	0	0	51423	4097	0	0	0	0	0	0	105284	22761	0	0	0	0	270150	0	0	0	0	0	0	0	0	0	4498	4688	0	0	0	0	0	0	5454	3243	3503	1024	0	0	0	137851	0	0	3469	0	0	0	3367	Organosulfur	0.15789473	2.0526316	0.05263158
24	C19 H39 O5 N1	362.2901	362.29056	0.07590948	362.29013	24871	16746	18952	19913	16712	40293	0	12584	0	1588	0	0	5082	44262	0	3325	0	10792	20980	9668	0	0	0	3064	0	0	0	13178	3694	3454	0	4767	0	3124	0	4123	0	0	0	6466	0	71314	0	0	0	13141	0	0	7508	4148	17782	18406	12108	5469	4096	73448	209066	4982	0	0	5238	0	1520	1212	387367	11641	37438	0	0	7569	0	7443	0	0	0	1149	0	0	0	18216	0	2580	0	0	158631	0	0	0	29079	0	61323	92091	0	2643	3578	0	22219	23662	41975	0	679064	0	0	6711	0	0	364636	0	0	1665	Lipid	0.2631579	2.0526316	0.05263158
14	C19 H39 O5 N1	362.2901	362.29068	0.17644024	362.29016	0	0	0	0	1478	10715	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36961	0	0	0	0	0	0	0	0	0	0	18774	0	0	0	18144	0	0	0	0	0	0	0	0	4729	54095	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4215	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2631579	2.0526316	0.05263158
14	C23 H39 O2 N1	362.30536	362.3057	0.120639935	362.3054	14308	16459	14654	13193	0	0	5185	0	0	0	0	0	0	0	1587	0	0	0	0	0	0	0	0	0	26317	0	2603	0	0	0	0	0	0	0	0	0	0	2955	1326	0	0	0	0	0	0	0	0	0	0	1154	19521	16089	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1515	0	0	0	9265	0	0	0	0	0	0	0	136394	0	0	2763025	3391	0	7030	0	0	0	14732	15029	0	0	0	0	0	0	0	0	0	0	28827	0	Lipid	0.08695652	1.6956521	0.04347826
18	C23 H39 O2 N1	362.30536	362.30554	-0.023470746	362.30536	0	1562	0	0	0	0	1258	0	0	0	0	4259	0	0	0	0	0	0	0	0	0	0	0	0	5139	0	3592	0	0	1859	0	0	0	0	0	0	0	1881	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1765	0	0	1695	0	0	0	0	0	0	0	0	12910	0	0	194558	0	0	0	0	0	0	0	0	0	0	0	0	4220	0	0	0	0	0	0	0	Lipid	0.08695652	1.6956521	0.04347826
16	C23 H39 O2 N1	362.30536	362.30563	0.06694843	362.3054	0	0	0	0	0	0	1097	3170	0	0	0	27951	0	0	0	9407	0	0	0	0	0	0	0	0	4238	0	10829	0	0	4556	1614	0	0	1727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8554	1467	1736	0	0	0	0	0	0	0	0	7336	0	0	0	0	0	0	0	0	0	0	0	0	5449	1742	0	0	7366	0	0	0	0	0	0	0	0	15913	0	0	239583	0	0	0	0	0	0	0	0	0	0	0	0	13432	0	0	0	0	0	0	0	Lipid	0.08695652	1.6956521	0.04347826
18	C20 H43 O4 N1	362.32648	362.32693	0.17240825	362.32654	0	0	0	0	0	0	0	0	0	0	1410	0	0	0	0	19625	19677	0	0	0	0	0	0	0	0	0	0	1591	0	0	0	0	23724	0	0	0	14527	0	22148	0	0	0	0	0	0	0	0	0	0	0	2275	0	0	0	0	0	0	42419	0	0	0	0	0	0	0	0	0	88521	0	0	8985	0	0	0	0	0	0	5319	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4522	0	0	0	0	0	0	1371	0	Lipid	0.2	2.15	0.05
18	C16 H10 O10	363.03467	363.0352	0.22727194	363.03476	6876	2841	4911	2277	18943	6651	0	0	15753	0	0	1107	28870	13104	3220	0	0	17473	19335	0	0	3365	5543	1215	0	0	1292	0	0	0	0	0	1789	0	0	0	1639	0	0	0	0	4175	701	0	425	0	1926	1617	0	0	4407	2248	12185	0	8757	14236	5024	0	0	1331	0	0	27575	15518	7915	19187	4812	0	0	0	0	0	0	0	0	0	0	0	6566	2365	5350	0	0	0	22593	9297	3653	5584	7581	2495	0	0	2762	1567	0	0	3603	2550	7797	26129	23696	3245	1701	0	1395	0	10969	504	0	32943	Phytochemical	0.625	0.625	0.0
20	C16 H10 O10	363.03467	363.0351	0.2487085	363.03476	0	2901	2659	2238	10368	6565	1534	0	12465	0	0	1742	25684	6690	0	0	0	12943	6273	0	0	3343	4516	0	0	0	1415	0	0	0	0	0	0	0	0	0	1551	1296	0	0	0	2535	665	583	683	0	0	2700	0	0	1799	3481	6264	0	11706	14907	6918	0	0	958	0	0	25032	14107	5497	19036	5469	0	0	0	0	0	0	0	0	0	586	1337	7715	0	3637	0	0	0	21145	3057	2172	3373	3900	0	0	0	0	1428	0	572	2848	1741	7996	15796	19328	0	0	0	0	0	12951	2857	1219	26915	Phytochemical	0.625	0.625	0.0
14	C16 H10 O10	363.03467	363.0353	0.23939979	363.03476	4237	2786	0	2556	12964	5490	0	0	18012	0	0	1525	31329	5817	2124	0	0	12752	15424	0	0	0	4059	0	0	0	0	0	0	0	0	0	1586	0	0	0	0	0	0	0	0	3779	0	0	0	0	0	389	0	0	4328	0	9143	0	10776	15228	4508	0	0	0	0	0	33937	23084	4822	25024	5440	0	0	0	0	0	0	0	0	0	0	1062	3464	0	2919	0	0	0	23596	4628	2047	5242	4281	3905	0	0	0	5036	0	0	2628	1875	12279	30955	21249	0	1076	0	0	2020	13069	0	0	32693	Phytochemical	0.625	0.625	0.0
16	C16 H10 O10	363.03467	363.0352	0.27448958	363.03476	3963	5343	4292	2961	21751	5744	1154	0	17346	0	0	1835	32327	11918	1603	0	0	23824	17082	0	0	0	3338	0	0	0	1026	0	0	0	2025	0	0	0	0	0	2192	2709	0	1239	0	4315	0	0	0	0	0	934	0	0	3038	3658	14360	0	12034	20092	7590	0	0	0	0	0	41510	17063	6833	29628	7038	0	0	0	0	0	0	0	0	0	0	2061	5225	0	4924	0	0	0	23151	7206	5042	10696	7943	0	0	0	0	4222	2537	0	4660	5333	13166	25164	31282	2345	1882	0	0	0	11512	433	1283	42348	Phytochemical	0.625	0.625	0.0
12	C16 H10 O10	363.03467	363.03528	0.23561683	363.03476	1999	2743	2505	2111	10942	3523	0	0	11695	0	0	1103	15791	2065	924	0	0	5806	7348	1378	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2794	0	0	0	0	0	0	0	0	1866	2134	3030	0	7223	9100	4730	0	0	0	0	0	26479	13695	2671	17275	2514	0	0	0	0	0	0	0	0	0	0	0	0	0	1616	0	0	0	8449	1955	1430	3785	1781	0	0	0	0	0	0	0	4414	2185	8815	14990	13010	0	0	0	0	0	6335	0	0	24613	Phytochemical	0.625	0.625	0.0
10	C11 H14 O8 N4 S1	363.06052	363.06107	0.05936217	363.06055	3387	2747	1965	3344	0	7895	3170	3513	0	0	0	2715	0	0	0	4842	25613	0	1716	0	0	0	0	3171	0	0	4207	0	7836	6371	3687	10580	16291	8440	1713	10958	12783	1115	26310	0	0	3864	0	0	0	0	0	0	14003	5020	3240	2794	1957	0	0	0	0	2384	0	2351	0	0	0	0	0	0	1610	24661	0	0	0	4053	7600	2150	18755	6212	0	2910	0	0	0	0	0	0	0	0	0	3162	5031	2864	0	0	0	0	0	0	3054	1861	0	0	0	14978	1989	2702	0	4574	0	0	0	0	Peptide	0.72727275	1.2727273	0.36363637
14	C21 H14 O4 S1	363.06854	363.06894	0.00971716	363.06857	0	0	0	0	1497	1982	6462	0	1242	0	0	0	3064	0	17259	0	0	0	0	0	0	0	0	0	2854	0	3239	0	0	0	0	0	0	0	0	0	0	22039	0	0	0	0	0	0	0	0	0	0	0	0	2100	2297	0	0	0	1002	693	0	0	0	0	0	3944	3350	0	0	0	0	0	0	0	0	0	0	0	0	0	1664	0	0	1304	0	0	1002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1172	0	1852	0	4206	0	0	0	2287	0	0	1927	Organosulfur	0.1904762	0.6666667	0.0
22	C17 H14 O9	363.07104	363.07156	0.18581977	363.07114	15508	16583	12867	17871	46643	23910	3822	4289	40588	18050	5611	4170	68610	27752	8873	4449	1780	59820	48721	7529	10416	28897	15449	6572	7088	2098	4628	5331	1655	0	1147	0	7343	0	20138	1891	4695	9330	2993	7196	8101	9949	2718	0	1764	7189	12042	0	4909	2986	16231	14391	28248	1341	53306	44087	15873	6704	3160	2804	3588	7162	78567	45931	12973	47541	10124	3613	6198	9057	9384	2153	1310	1383	1232	0	2079	4681	28589	20685	22035	11529	2550	4514	59909	27019	18683	11911	15695	3294	7365	9660	5440	32876	38281	0	18925	13610	26778	50021	43089	4063	3715	2927	12245	4328	33292	0	6071	73982	Phytochemical	0.5294118	0.8235294	0.0
24	C17 H14 O9	363.07104	363.0715	0.21706024	363.07114	9177	7906	8672	12753	23685	14083	2070	1779	29028	8399	3608	3731	55651	13982	5422	3044	1469	40278	29939	2350	5748	14487	10658	4657	3266	1377	1183	2217	0	0	2096	0	2981	0	11194	1190	2317	4685	1788	3826	3891	7554	0	0	0	5692	4518	0	2042	1585	10330	6071	17938	0	38169	25625	10271	1431	3909	2814	2837	2789	52265	33053	7079	33600	6849	0	3169	2529	4009	922	0	0	1361	1053	0	2427	15412	12337	15863	5588	1720	1871	33807	15514	10860	6466	8975	0	2449	4239	2618	15997	27204	0	5696	7627	13513	29302	23791	3452	1877	2437	5568	1984	17640	0	3622	48055	Phytochemical	0.5294118	0.8235294	0.0
28	C17 H14 O9	363.07104	363.07147	0.028371984	363.07108	9313	7372	10560	9979	16942	9437	3404	3428	16545	9438	2953	4007	29256	9489	8950	5414	0	24348	18754	4337	5026	9584	10584	6514	6695	0	4641	1504	3624	2204	3150	2427	4919	2902	8894	2156	4847	6347	2580	3382	3742	5132	1704	0	0	6772	5093	1703	3002	0	9599	9572	11902	0	24997	12817	6457	6109	3537	1706	7733	4087	26764	16990	7497	17805	6513	2222	3956	4130	4348	2368	2438	0	0	1574	0	4787	11181	5413	12509	2726	2785	2196	19703	12860	8833	5802	5266	2687	3308	5515	5213	6450	13202	0	11330	8103	9298	15721	15700	5153	3346	3514	5486	5522	13854	0	6362	24492	Phytochemical	0.5294118	0.8235294	0.0
26	C17 H14 O9	363.07104	363.07147	0.053799503	363.07108	7948	7009	7806	5576	16790	10481	2101	0	18113	7737	2261	0	32891	14146	0	0	0	32703	23066	4649	5967	9613	9963	0	0	0	0	0	0	0	0	0	2047	0	5639	0	5155	5028	0	3177	3746	0	0	0	0	0	0	0	2198	0	9131	8091	11083	0	25728	17788	6057	4482	0	0	5321	3197	37273	18977	3657	24348	7988	2645	0	3129	3809	0	0	0	0	0	0	3575	14155	7046	11709	0	0	0	24973	12474	8213	4946	6889	0	2683	3790	0	6580	14663	0	8173	5262	11687	19042	13952	0	0	0	0	3392	11793	0	0	35462	Phytochemical	0.5294118	0.8235294	0.0
6	C16 H14 O8 N2	363.0823	363.08295	0.18151554	363.08237	5993	6697	4366	5089	8225	2967	1566	2227	14328	10598	9084	2569	14613	2005	2709	4357	2059	8070	10839	3879	12997	11457	4030	2900	660	0	622	2624	834	1205	3101	1631	4139	1444	14323	1172	4466	2505	4177	5772	14457	4162	0	0	0	4112	6221	0	1656	1165	5967	6144	6473	0	14493	10128	3343	2798	1874	3686	2861	5358	23807	13588	4861	10976	3907	6421	4767	2418	5515	1529	1069	0	0	1087	0	1690	2783	0	2675	1973	833	1264	9953	4017	2433	6929	5075	5562	0	1658	6592	10358	8385	0	4528	6341	4842	13585	13210	4373	2323	2402	0	5743	8224	0	1700	23854	Phytochemical	0.5	0.875	0.125
22	C21 H14 O6	363.0863	363.08682	0.18183604	363.0864	3383	2853	4406	3282	2176	0	1231	1598	3784	9479	15799	0	3170	0	0	0	1781	5275	4474	7703	8702	8406	2018	0	1708	22809	1102	10727	1400	0	0	0	0	0	16662	1118	1799	0	0	4982	12198	1837	0	0	0	3830	6445	0	0	0	5168	3586	1691	0	1519	1495	2973	0	3102	5062	1769	6108	6348	5050	0	1804	3997	1498	22178	8047	22236	0	0	0	0	1062	0	0	4866	7392	2750	6742	2018	5650	7259	3264	2754	3531	5252	3085	0	0	0	14573	14955	0	2967	3932	2860	4234	4805	0	0	1223	6090	0	2544	0	2264	2990	Phytochemical	0.2857143	0.6666667	0.0
20	C21 H14 O6	363.0863	363.08682	0.20385566	363.0864	6394	4447	4189	4051	7016	2172	1915	1627	4459	10498	16128	1651	2091	3297	1817	0	1647	4303	5448	10115	13743	8028	0	0	1967	35338	1684	9870	0	1688	2231	0	0	0	26040	0	2109	1303	1403	9085	14041	1799	0	0	0	7885	7869	0	2313	0	3182	7927	2917	0	0	1756	3320	1641	1830	2307	0	6691	5754	3471	3613	4547	4356	1662	26183	24493	37260	0	0	0	2444	0	0	1288	1896	9042	2631	4510	0	0	3964	1833	4282	3599	4042	0	2711	4235	4782	17960	8755	0	3971	6411	6971	5163	5079	0	0	4625	5442	0	6486	0	0	4383	Phytochemical	0.2857143	0.6666667	0.0
8	C13 H18 O10 N2	363.10342	363.10403	0.19729768	363.1035	6524	4323	2447	4964	2683	2250	18278	3369	3791	4314	4113	7225	4882	0	2725	1783	12870	2186	3187	5044	6459	4969	2235	1622	1640	3916	16222	0	7192	5095	3692	7874	20660	8472	7624	8197	18167	0	24186	5506	10168	4956	0	0	0	4610	3954	0	10388	5748	2986	8062	1494	0	2562	1130	946	2519	0	2980	0	4396	5200	4161	0	4548	4491	21261	4542	5730	7691	5415	8363	6806	1798	10758	0	5263	3656	3532	2424	2144	1610	2273	1513	0	2758	4253	1498	5242	0	0	4052	5399	8712	0	3404	2621	1623	0	3434	19681	5266	2858	0	10885	2313	0	1632	4720	Unclassified	0.7692308	1.3846154	0.15384616
6	C22 H18 O3 S1	363.10495	363.1058	0.3470753	363.10507	0	1642	0	2063	0	0	0	0	1061	2106	1306	885	0	1124	910	0	0	0	1213	0	872	0	705	1170	0	1364	2011	0	0	0	882	0	0	0	0	0	0	1362	0	0	2462	0	0	0	0	0	0	0	0	1459	0	0	1329	0	761	1136	959	0	1849	2213	0	2899	1247	2343	1790	0	0	0	0	1528	2646	0	0	0	43931	0	0	1329	1275	0	1012	800	1084	0	819	0	1209	0	0	1243	0	0	0	1122	2021	0	2148	1980	1639	1337	1657	0	0	0	0	1076	1253	0	0	0	Organosulfur	0.13636364	0.8181818	0.0
28	C18 H18 O8	363.10745	363.1079	0.08598675	363.10748	13897	12490	13165	12091	19542	10802	6456	9319	19211	25442	10404	5350	36685	12252	10122	10444	7116	23928	23900	21940	25684	21524	12277	11320	8553	13888	5978	9710	6598	7563	7028	6721	10384	6189	29656	6116	8807	7890	6010	14811	13842	12159	2926	1595	4013	15049	16639	2390	7952	5796	12129	13642	14400	3475	24005	14633	8167	6651	5273	6179	15391	9074	30839	16199	8142	21958	11016	7900	20989	26810	27006	7780	7208	5931	5715	7251	4037	6460	13854	13237	11837	11008	7039	10967	21513	10799	11108	7545	10189	6820	11491	8194	12613	14731	21677	2565	12605	16681	13591	20780	23065	9734	7092	11152	10562	9554	12882	2390	7843	28724	Phytochemical	0.44444445	1.0	0.0
26	C18 H18 O8	363.10745	363.1079	0.11951475	363.10748	17131	16982	14698	13797	26734	17849	4607	8645	28255	31903	10394	7963	57191	15369	11130	9563	7543	36267	35691	21482	29681	30541	14050	7981	7607	19546	1971	8974	5271	9695	6025	4306	11253	4843	31749	7646	9668	9057	6065	19372	13347	10172	0	0	0	19646	12318	0	8695	6795	18081	16957	18508	0	37187	25900	14114	10846	7722	5859	9744	11697	45569	28554	9410	35384	12643	5430	25084	30176	30690	8360	6622	0	0	7494	0	6543	17544	15037	17812	12648	7791	9863	28531	14208	14028	11340	14026	7578	12367	12111	14293	18767	39036	0	22099	17115	17907	30891	24089	12941	7580	8173	11594	6830	15451	0	8140	50230	Phytochemical	0.44444445	1.0	0.0
6	C21 H18 O2 N2 S1	363.11618	363.11676	0.3317401	363.1163	0	1025	0	1526	902	0	741	0	723	0	0	828	0	0	617	1740	1263	0	778	0	1036	868	1024	0	0	0	1084	0	0	961	1007	978	0	0	1305	1103	1546	1455	0	0	0	0	0	0	0	0	0	0	0	902	0	1142	935	0	0	0	799	0	3296	1447	1493	0	598	1315	0	0	1002	1119	0	0	0	763	0	0	53126	1012	0	1067	916	0	648	924	831	0	744	0	0	0	577	0	0	0	0	579	0	0	0	0	0	445	1120	0	814	0	0	0	0	0	1283	672	Organosulfur	0.0952381	0.85714287	0.0952381
2	C17 H18 O7 N2	363.11868	363.1194	0.097716056	363.1187	7596	8669	6010	8019	10559	0	4731	5358	14891	8994	13291	7398	19717	4877	5430	1289	7370	11900	10274	7501	20447	13314	6880	4472	2379	3293	0	7655	5880	2355	5842	4437	9828	4532	20793	4704	5707	6439	9914	7521	17029	5402	0	0	0	5135	9246	0	3873	3730	6024	7409	8980	0	15129	10994	5793	6992	3560	6744	1961	6099	21988	15268	4704	15533	7853	11132	6972	6353	11595	4240	4671	4100	801	4693	0	4784	7311	5518	7028	4060	4184	3826	12112	6109	6690	8889	7633	15578	3439	7946	12634	11290	2704	0	7998	8870	10339	16748	14562	4327	5715	4374	6220	9713	9877	0	4418	21656	Phytochemical	0.4117647	1.0588236	0.11764706
14	C14 H22 O7 N2 S1	363.12204	363.12213	-0.21020292	363.12198	150440	157360	158209	141867	141038	120477	132785	126594	127426	211920	141498	92813	161945	78156	124730	147937	132597	167249	163109	193785	205903	275471	123738	179461	123652	113866	99223	114065	112875	99452	105764	113131	184542	115342	269900	98003	174899	112124	167555	216026	222593	93977	3828	315	581	158430	155537	440	132787	108294	141369	136357	124350	431	159992	99801	83729	168697	143337	99475	158398	167490	170557	131126	78401	151981	119053	143111	130952	196631	208445	108834	92203	76685	92116	89864	269	96481	159419	150675	133777	106456	97621	101473	123828	82435	169624	121876	123511	237631	154608	164588	277265	149440	191112	880	154319	128053	86917	120834	113848	149794	88431	137378	119669	152479	94473	459	126513	191394	Peptide	0.5	1.5714285	0.14285715
0	C19 H22 O5 S1	363.12607	363.1268	0.25031024	363.12616	6613	5097	5151	5140	1218	0	0	0	0	1121	0	0	0	0	0	4872	0	0	0	0	0	0	0	3483	0	0	0	0	0	4111	0	2093	0	18317	0	4672	1423	0	0	0	0	0	0	0	0	0	0	0	6246	4033	4877	4561	0	0	0	0	0	1883	0	0	6131	0	0	0	0	5237	0	0	0	0	0	23304	10167	5666	0	2172	0	0	0	0	0	0	0	0	0	0	0	7419	0	0	2149	0	0	0	0	0	4479	4391	0	0	0	3264	0	0	0	0	0	0	0	0	Organosulfur	0.2631579	1.1578947	0.0
6	C16 H18 O6 N4	363.1299	363.13052	0.028106976	363.1299	29335	31370	34272	35570	22954	21902	4258	18801	34923	69315	46962	17981	5864	13239	19316	25571	19284	30766	33691	58777	77649	58306	24956	30995	13193	31329	5633	30270	15521	16899	22734	20059	27814	22541	92780	18518	26930	21371	31045	42728	68939	13269	0	0	0	35655	53705	0	9151	20567	29032	30929	21517	0	36978	3572	13599	24891	6874	6636	33249	37922	35283	5733	10898	29355	18959	31912	58861	45655	82535	21429	20164	16399	23362	17221	0	11164	21264	4254	17040	24219	15969	23685	25753	12779	26125	21631	20136	51268	5662	26296	49042	40551	42966	0	29669	31832	16529	26360	29386	32994	17680	34286	0	28220	20639	0	6137	9967	Peptide	0.375	1.125	0.25
8	C16 H18 O6 N4	363.1299	363.13046	0.021226104	363.1299	65912	18810	52006	62860	33428	35794	29008	46588	56352	120402	141146	27380	17606	22968	28522	49558	39912	44080	21730	101978	140986	114480	15016	64858	23086	131524	27462	52334	32790	28258	15776	35210	47648	29096	131384	29504	49070	33930	22004	100428	141830	59776	2000	0	0	49064	83220	1640	15598	40124	54740	62704	32814	0	59184	8846	23496	53768	35988	47834	41106	76590	71694	0	20520	65212	40824	52564	98932	112636	162252	40274	29454	27298	45552	37856	0	26020	83974	45694	34298	50156	34410	60642	39914	9758	38790	31302	38528	92564	0	59942	38022	80786	75934	0	50080	48798	10032	37798	40290	39532	26156	56414	0	40792	34200	1512	13352	81090	Peptide	0.375	1.125	0.25
12	C23 H22 O2 S1	363.14133	363.14175	0.123374104	363.14136	0	0	3346	0	1961	3335	0	0	3536	0	5868	2912	0	2966	5570	1888	0	0	4584	6870	3017	0	3872	0	5214	0	2533	11741	3923	1967	3830	3890	4940	1782	9870	2608	0	5487	4512	2423	0	0	967	0	0	0	0	0	3048	0	0	0	4718	0	2675	7764	3299	0	0	0	0	6725	7824	6120	3331	2828	6470	0	0	0	0	3045	2236	0	9052	2364	290	4399	3863	0	1978	3172	0	0	3352	2562	7283	3496	4339	0	3075	7609	4627	0	0	1083	0	0	4843	3193	2095	0	2660	0	34984	5082	9470	514	4140	9997	Organosulfur	0.08695652	0.95652175	0.0
18	C23 H22 O2 S1	363.14133	363.14188	0.20181954	363.1414	5300	4215	7132	0	4313	6466	3209	4314	1543	4170	2655	2474	9002	1471	3746	8733	2467	5051	0	5075	4445	8132	5559	2859	5259	2667	8694	5792	0	9484	1468	3628	3439	5813	2888	7278	3997	1841	9233	4242	9702	8553	1741	711	441	7697	6204	0	7024	1785	5881	3635	1852	598	0	0	0	4157	5701	3744	6806	3448	1784	3353	3151	0	7648	8588	3176	5560	3191	3527	2241	2753	22439	0	309	1427	5369	7387	0	1606	5721	7923	4132	2940	3826	2026	3078	5149	12357	7667	13332	6758	10754	984	6411	3089	3503	0	5642	6286	4971	9687	2140	9223	6186	801	1844	5297	Organosulfur	0.08695652	0.95652175	0.0
26	C13 H22 O8 N4	363.15103	363.15128	0.9556169	363.1514	0	0	0	0	0	0	17409	0	0	0	0	3889	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22574	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2718	0	8984	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6104	0	0	0	0	0	0	0	Peptide	0.61538464	1.6923077	0.30769232
20	C18 H22 O6 N2	363.15506	363.15552	0.12511607	363.15512	18301	18353	20316	16746	18101	17095	16439	17308	13372	16336	12071	11613	17642	17956	18176	22061	15467	20393	15533	13912	15593	23426	17162	28986	16565	8535	12405	14379	20923	14102	19467	20252	28543	16665	20303	17703	38132	12599	16799	30850	21840	13415	927	789	0	19548	17805	0	18858	17605	18597	19230	13751	402	15297	10642	10061	22106	16273	12308	24171	11172	11410	9551	9984	15120	16330	17231	12059	19717	14848	23502	16522	10241	9999	18165	412	13576	13810	16387	13914	9577	16326	9874	12714	12554	16956	13786	18031	29221	26742	26679	39847	22190	15111	567	15769	19082	13614	22870	18831	25479	11595	17659	11550	28701	20178	0	23123	30145	Phytochemical	0.33333334	1.2222222	0.11111111
12	C18 H22 O6 N2	363.15506	363.15558	0.002567386	363.15506	277215	284020	312550	307506	168532	146958	295671	385610	166963	369911	181499	183723	156963	79002	265455	316151	239326	203720	256265	462775	432065	500250	255215	387683	279885	194751	198888	211224	343324	292301	329343	345166	455329	312328	462096	316526	428845	256284	296090	441242	382981	165074	1963	600	0	364547	315146	717	390794	304004	302660	302140	191906	627	204048	118145	121607	366305	291053	245303	341868	275710	167645	160899	83395	203971	176114	306795	179186	423112	346045	316684	275409	299240	200973	290656	0	254683	231613	193225	231871	217849	243071	243076	105947	119336	252585	171210	191025	420318	318414	401548	543287	237394	305918	1250	304155	314774	119131	181697	144910	370320	211673	315569	217826	341923	121637	501	243584	217488	Phytochemical	0.33333334	1.2222222	0.11111111
18	C18 H22 O6 N2	363.15506	363.15552	0.016429294	363.15506	61261	50119	55782	56270	42567	42294	57439	57899	32634	58173	36989	33564	39679	32324	55660	66846	38189	65239	57303	74005	65392	87809	41949	78737	53575	37394	44914	43200	60630	50030	62233	66696	83411	53068	72336	60706	88025	47940	47949	73001	61244	34011	1066	0	421	48632	41851	564	60006	43880	54865	52219	39352	454	42500	23501	26839	70473	45379	32494	64314	48229	37752	30769	25744	42882	40955	49904	36999	55159	58775	52577	43927	39556	35388	48111	290	36238	51243	47122	46448	36579	43910	42152	29213	32808	50717	43870	45522	70326	71511	90164	119988	44362	68648	583	55347	54500	25325	25218	22935	73792	37637	61778	27154	67557	29926	0	60670	54379	Phytochemical	0.33333334	1.2222222	0.11111111
18	C23 H22 O4	363.1591	363.15958	0.12612443	363.15912	9396	10235	9142	6501	7918	3164	5960	10668	7778	9169	10144	7674	4672	4005	7128	14779	13709	8491	8146	8589	9665	6048	7476	8950	6712	25425	4962	10361	9651	8116	9381	8045	12948	7635	11218	7392	11063	5237	13216	6724	13113	5315	0	0	0	4884	9824	0	8300	10564	10735	8911	7531	0	3129	7304	5322	10370	8546	10821	5840	4664	7057	5437	2890	9117	8431	13910	18816	24283	33760	6708	5475	9631	11845	10158	0	8320	12537	9781	10530	10511	7592	7098	6113	6094	12216	4555	7454	18722	9425	7721	12322	6808	12989	0	11063	7131	7718	8413	3971	9445	7981	7817	4906	7644	4898	0	9096	4279	Phytochemical	0.17391305	0.95652175	0.0
18	C17 H27 O3 N2 S1 Na1	363.1713	363.17184	0.076230094	363.17133	8382	10097	10047	7653	7414	6771	7398	11883	6266	18347	11791	5863	8310	3187	7250	10512	6559	11841	12562	25825	22165	5417	6920	11198	7478	22237	4685	8499	11017	6248	8156	9904	12801	5878	13518	7966	17382	7121	6871	16552	8067	5470	0	0	0	8251	8889	0	11653	7738	11415	9828	8873	0	9007	5914	4415	11135	7358	8485	5458	8900	11686	7172	5277	9988	5761	5292	22491	35969	33983	7841	7216	10901	7607	10517	0	7854	11914	4371	7505	5519	7983	10973	6211	6035	9176	5462	6258	8236	8683	5534	15593	6456	8870	0	11491	7636	4981	6691	12095	11909	6559	12256	2024	8290	6315	0	7062	7321	Organosulfur	0.1764706	1.5882353	0.11764706
16	C17 H27 O3 N2 S1 Na1	363.1713	363.1717	-0.009084693	363.1713	5316	10399	4028	6817	7403	4545	5230	7974	3789	9473	6648	4269	6467	3552	4313	5540	5640	5135	6549	16556	11525	2682	5287	7804	5077	19124	4195	4285	6093	5371	7862	8385	7559	5614	8715	5181	5010	4328	6743	7723	6878	2123	0	0	0	4801	6784	0	7457	4258	10209	8157	3965	0	4350	4169	3087	7196	8179	5612	9433	4961	4342	2674	2693	3711	5193	5370	10474	26134	21310	5701	5572	6380	6760	6541	0	4257	7529	7011	5325	4786	6510	9814	6914	3195	8105	3352	4040	0	6183	4002	0	1547	3615	0	7333	11088	4742	7613	4553	6016	5487	8830	5552	0	4923	0	4894	4077	Organosulfur	0.1764706	1.5882353	0.11764706
20	C17 H27 O3 N2 S1 Na1	363.1713	363.1718	0.04743177	363.1713	3739	9458	8992	8213	6507	4848	5327	6110	9645	12597	5201	5700	13754	7669	7807	8265	4781	7142	11226	15410	19797	8935	5530	10058	5687	24392	4747	9808	7895	5660	7746	6201	5596	7465	13005	7221	7684	5549	7717	7523	8024	5270	400	0	0	6227	4100	0	6543	7939	10879	8559	5367	0	10918	3575	4934	8890	4340	4498	6445	6419	11967	6505	3299	6880	5267	6931	16775	22552	22829	11536	7740	7470	7101	9643	0	6723	9389	4204	5715	5395	6322	0	9436	5172	4422	5735	3754	5163	8978	7433	10412	7943	8639	0	6825	7834	4562	7252	6456	7820	4494	9943	5168	6736	4569	0	4521	8358	Organosulfur	0.1764706	1.5882353	0.11764706
4	C15 H26 O8 N2	363.17618	363.17682	0.016818874	363.1762	4363	6304	5652	4269	4414	6919	4536	7539	6645	0	0	3010	10956	2933	4717	6171	6651	15114	5947	0	0	3631	4248	7275	3875	0	2014	0	9312	6988	6762	8155	7232	10233	0	9530	9046	4061	7233	0	0	4601	0	0	0	2520	0	0	7703	6414	5268	4407	5228	0	5065	3410	2213	6598	2616	0	7709	0	6468	4084	3036	7377	4678	6420	0	0	0	12781	9800	10475	0	6156	0	4846	3639	0	3464	0	1025	0	5084	3071	3136	20997	4106	3787	7451	4751	8187	0	0	0	4183	6367	3153	3975	3215	8121	3443	0	0	6115	4466	0	3414	10092	Peptide	0.53333336	1.7333333	0.13333334
10	C20 H26 O6	363.1802	363.18076	0.018447533	363.18024	95368	88669	78329	84633	43024	33357	82879	99150	50532	136860	56285	72514	46968	37824	75523	123407	98068	46846	65789	176142	165176	186264	74744	113555	74141	99284	98292	57432	84109	96595	88078	86403	81920	62340	163426	99533	159148	75967	119852	71152	161836	43967	9357	5897	7094	81118	81464	6476	87073	95664	87657	91761	41229	6037	74967	54373	43048	101670	87619	91257	118435	47862	52835	54137	38576	39581	36315	133993	86265	91802	221582	62019	70006	92511	115148	89735	6043	64804	118711	57866	90328	67781	89387	48621	74229	45854	99948	32719	51915	138500	75103	76736	98299	60895	180172	8591	78194	88040	45698	70778	80864	90850	63500	99941	46243	73951	50867	5140	84771	43836	Phytochemical	0.3	1.3	0.0
28	C17 H30 O6 S1	363.1836	363.18353	-0.06737094	363.18356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	998	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8264	0	0	0	0	0	0	0	0	0	869	27395	20616	0	762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.3529412	1.7647059	0.0
2	C19 H26 O5 N2	363.19144	363.19214	-0.006907858	363.19144	12420	18031	12484	14529	4766	0	12088	24560	6208	14757	10052	12285	3781	3532	14355	12507	19784	7984	7797	22101	25657	18699	14457	18970	12333	9096	7733	9968	20589	16143	17261	18207	20408	15386	21981	17740	18412	12719	19364	17950	19413	6935	0	0	0	12021	13741	0	19449	17548	12268	15486	5969	0	10028	3183	4632	17499	5609	7050	12039	11257	4805	7416	4199	5728	8927	24623	11470	15561	14939	15325	16835	18862	12109	16999	0	12438	15858	13832	13268	7452	9930	12104	3688	5436	14306	7915	7281	29067	17431	19149	33587	14363	15315	0	15625	17474	4197	2648	3042	16926	13375	19348	8069	16408	3531	0	14954	5210	Lipid	0.2631579	1.3684211	0.10526316
4	C19 H26 O5 N2	363.19144	363.1921	0.021086475	363.19147	26693	28320	29760	26121	10622	13872	16061	34647	11114	36804	15045	19244	11899	6937	24213	34882	26315	15477	20820	48336	44694	46476	23369	39945	29697	23601	17449	13339	30001	24119	25823	29191	34636	25564	52424	30546	33458	21311	32348	39284	31013	13637	0	0	0	30904	28723	0	32948	30994	26595	25073	13090	0	20514	6409	9453	32436	8947	10107	32714	25961	10997	12904	8123	15455	13898	31540	19858	34954	29341	28584	21543	28685	25252	22693	0	20388	27423	27469	18281	12361	16459	23961	10711	10212	24959	14115	15901	40799	44559	40402	68638	25337	41625	0	24334	30642	8778	6795	7945	30280	16891	47186	17483	29210	7743	0	25656	12790	Lipid	0.2631579	1.3684211	0.10526316
8	C19 H26 O5 N2	363.19144	363.19202	-5.42972E-4	363.19144	66500	64934	55965	64641	25285	31677	38899	61457	25022	101701	47004	29845	30486	15402	43836	78362	47820	33540	49173	131061	112007	92004	39763	78762	51659	48617	35702	48650	62162	52581	52253	70351	74800	54445	127572	55797	85801	39884	52939	99472	67729	34826	0	0	0	64562	51500	0	78319	56326	61578	65909	32771	0	41416	14510	18863	69569	10917	19517	69281	43173	30218	28331	16093	35151	37490	61011	43997	108180	81602	57387	51334	53677	46827	51159	0	39093	46664	44124	33016	19548	21342	62049	14399	15307	43810	32051	37695	78084	122481	76228	122941	59309	106698	0	61926	61881	19807	18327	15521	71599	35590	87644	21540	69290	20155	0	39843	34043	Lipid	0.2631579	1.3684211	0.10526316
18	C19 H26 O5 N2	363.19144	363.19183	-0.14865097	363.1914	32234	23174	27074	26673	16998	16796	20452	32133	13439	24328	19665	16389	9497	14015	17100	43155	30346	18047	25923	36540	33636	41603	23778	33007	23140	21754	22561	18717	31674	30308	27595	31347	32784	26483	32401	37062	53750	18600	34921	34189	33099	18889	0	0	0	26635	24028	0	33604	30412	25718	29046	15999	0	10930	7741	8609	40181	21339	22143	39200	22601	9571	11226	10981	18488	18252	31704	16839	33191	30580	24350	28519	27327	22490	32291	0	18203	24252	21089	15435	17726	25199	23373	8666	11111	24388	22757	16086	46229	48603	50482	46029	25363	30821	0	23582	29316	11971	8252	8815	44746	17740	35964	16423	29873	11735	0	27834	11485	Lipid	0.2631579	1.3684211	0.10526316
6	C19 H26 O5 N2	363.19144	363.19205	0.010360518	363.19147	52139	49719	46046	46387	22246	25357	32446	60459	21912	84190	34380	30021	26132	13166	41716	59413	39715	27724	43112	102258	96135	74730	38204	67500	40910	46413	31462	37928	56644	42869	46966	57258	65754	46772	102962	47256	67662	31309	51327	68607	54740	25489	0	0	0	54489	49200	0	67754	47067	55154	45430	22607	0	32711	11968	15712	59718	10220	16560	58357	40815	22824	19205	11893	24977	27400	50686	36396	100341	71115	50830	46277	44307	37562	42022	0	31497	35841	38880	29581	18223	19549	46431	13734	17133	41293	25340	27132	77147	82415	61509	101673	43092	77934	0	50605	52157	11104	12622	15714	59680	27522	66622	26556	53531	16825	0	36831	25234	Lipid	0.2631579	1.3684211	0.10526316
10	C19 H26 O5 N2	363.19144	363.192	0.011932341	363.19147	50105	53686	53170	50934	23357	28004	37663	54769	17900	83406	38498	32391	20987	17769	43039	59930	39554	28179	41354	100606	94149	80087	37325	74495	41286	55719	33836	34733	53093	49352	46215	60686	82468	54855	95463	53399	72152	33152	54411	85939	60671	27104	0	0	0	60480	50727	0	67911	51846	55190	54711	27384	0	27388	10157	16215	76861	13762	29626	67948	42005	20317	21198	16141	26758	30881	60617	46494	95937	75520	60173	49226	47432	43116	50593	0	35268	40509	39291	32464	25607	25291	46018	12275	15465	44325	30034	30230	73813	92402	64262	104358	47577	77965	0	56427	52888	15800	12459	13527	67299	35110	74654	21873	55966	13208	0	38745	26866	Lipid	0.2631579	1.3684211	0.10526316
20	C19 H26 O5 N2	363.19144	363.19186	-0.07857821	363.1914	16426	13116	12225	11909	10091	7949	6431	16083	5388	14887	4705	8820	5573	5869	8457	18190	11620	10027	9610	19923	14268	19283	7408	21154	11465	7980	10530	6954	15128	12510	11379	12855	18065	15530	14024	12067	19795	7380	16787	13570	12916	8350	0	0	0	12574	8067	0	14526	10267	10239	12358	7777	296	6281	2829	6039	22379	8933	9184	18098	7585	3689	5432	3453	8431	7941	18323	7180	11413	13586	10523	8905	10025	12795	12885	0	8638	8898	20420	8582	8041	9078	10775	3978	5524	14943	9484	11247	26305	45351	32797	23606	11939	14713	0	9424	15831	4770	1470	0	23537	8731	11845	5846	19295	4341	0	11608	7815	Lipid	0.2631579	1.3684211	0.10526316
20	C24 H26 O3	363.19547	363.1959	-0.021407358	363.19547	9174	12728	12062	11139	9481	7464	16849	10564	5924	4523	9760	14186	9012	7973	17622	15449	27623	6716	10393	8799	8638	9334	7969	14900	11889	27386	16133	8395	9902	11926	11195	17008	16686	9819	6455	13960	13751	14490	24381	10756	18172	8972	0	0	0	7217	8471	0	17309	12777	10886	12694	9205	0	7743	8221	9569	16061	9256	15315	15893	5563	8319	6447	6583	10038	8304	26535	24303	18290	31543	8276	11372	12733	22434	14996	0	8666	18980	10257	18204	6413	11154	8000	11487	7096	21967	9048	10207	24934	10955	7444	17201	7716	6161	0	10586	11690	10481	10759	14211	12752	10369	14315	3637	11569	7057	0	17803	5247	Phytochemical	0.125	1.0833334	0.0
22	C24 H26 O3	363.19547	363.1959	0.06424613	363.1955	18381	25953	20992	20274	21842	13729	19372	30598	13946	18822	26298	22298	11561	12989	22368	32884	36583	15229	21946	20654	22007	18493	17724	22775	24775	60702	16570	19554	23268	22480	22430	25857	26278	25774	17515	26218	23022	20634	39335	22944	28129	15113	0	0	0	15093	16903	0	24377	25132	25887	21885	22770	0	11088	17237	17142	30782	14510	20797	23988	15126	12273	10059	11241	13573	20730	41405	40778	49819	69559	16715	17264	18429	22347	24900	0	15836	31532	21068	26000	15185	19116	15007	21109	11719	34112	16787	18456	36365	21186	17128	30590	16333	13828	0	21565	19323	15233	16875	17282	32716	21979	29680	12165	25069	18832	0	28026	12555	Phytochemical	0.125	1.0833334	0.0
18	C24 H26 O3	363.19547	363.19586	-0.14326727	363.1954	4397	3962	4355	6682	2356	0	7359	4019	2998	0	2838	4103	1949	1253	3862	9308	11937	2322	3598	3929	2834	5710	4242	6491	5107	8386	6590	3529	6336	6117	5405	4787	5201	0	3026	5535	3514	7503	15824	0	6920	2612	0	0	0	1767	2696	0	4653	5385	7230	5325	3425	0	5514	3628	3317	7762	2769	8971	3841	0	2483	1937	2887	2185	2501	15083	6577	6487	9391	2939	2370	5606	9366	0	0	3464	10466	4628	8438	3253	6872	2331	4888	3556	7981	2441	2570	22435	7485	3944	9917	0	0	0	4522	3792	2718	5994	6180	5264	3752	5017	1755	6394	3398	0	8380	0	Phytochemical	0.125	1.0833334	0.0
22	C18 H31 O2 N2 S1 Na1	363.20767	363.2081	0.04292404	363.20767	9322	7512	8093	9295	6625	8475	4032	8571	6002	9863	11452	3498	4429	4909	4253	10183	6222	5916	11725	22939	18481	5614	3906	10247	6446	23944	3913	5740	10376	6197	9389	7486	11132	9908	13377	10179	7506	6161	6476	10182	8207	4389	0	0	0	5137	5829	0	9826	7433	9297	9366	7144	0	8404	9276	5574	7685	7422	3374	4128	8238	8067	4256	5599	5355	6533	8917	14908	26830	24006	6157	5944	4758	7039	7093	0	7509	4532	4753	6136	4100	5870	7564	10718	4464	8440	5125	7365	6890	10657	7843	10264	6403	8518	0	6932	6150	6589	9884	4864	11304	3890	10363	2923	9244	5548	0	4731	8318	Organosulfur	0.11111111	1.7222222	0.11111111
8	C16 H30 O7 N2	363.2126	363.21356	-0.12309291	363.21252	0	1558	0	1104	0	0	0	0	0	0	1976	0	0	0	1596	1433	874	0	0	0	0	0	0	2201	0	0	0	5544	899	0	0	0	0	0	0	0	0	0	1168	0	0	0	0	0	0	0	0	0	0	1115	0	0	0	0	0	0	0	2805	0	0	0	0	0	0	0	1281	0	1237	0	0	0	862	859	0	912	886	0	0	0	63234	0	0	0	0	0	0	0	0	0	2615	86579	10439	1537	6212	1106	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.4375	1.875	0.125
14	C21 H30 O5	363.2166	363.21707	0.025696563	363.2166	27136	26856	27195	33791	14190	14543	41647	33056	20395	16758	16122	20797	12478	11843	26637	41584	57648	14962	21190	16453	17254	23180	20766	36804	31740	18474	40940	18008	23563	27363	26108	33662	32186	16560	15722	35461	33365	30473	65494	14009	25114	21363	0	826	861	16968	21694	1392	34192	26684	30817	31662	16151	738	22696	20338	19818	37529	12867	23795	0	8537	17500	14672	16125	15777	17990	59382	0	17672	26009	18367	21605	34824	50949	27864	774	19512	35483	0	24460	15845	30455	20965	27582	21192	47968	12278	22259	79300	34296	28059	41530	12352	20213	1538	31252	25097	14339	33520	40226	35092	25628	25260	0	35726	24988	879	37817	16397	Lipid	0.23809524	1.4285715	0.0
16	C21 H30 O5	363.2166	363.21707	0.00809844	363.2166	83586	81836	85309	82985	63916	48236	106821	95414	54699	60959	52703	59656	56827	46125	71983	114150	144489	57346	84896	60956	66459	72329	65497	85908	81031	86966	103906	55001	77248	86330	72300	94907	99458	65419	53734	99211	80523	72105	165398	44284	69008	58191	3859	1278	1536	48200	60491	1871	89942	87798	82397	93182	57750	1278	66041	64426	52806	118065	41607	69281	98661	27443	59116	51844	45177	59340	69709	150615	61606	72947	88825	47358	63786	92350	136966	88826	1235	53198	120585	64961	75134	51222	101453	70165	85733	64830	121215	46279	62272	217172	86413	88787	117655	49412	64056	1986	85034	92331	55007	105147	118835	108245	48734	73339	28548	84479	83148	1381	97053	51564	Lipid	0.23809524	1.4285715	0.0
26	C21 H30 O5	363.2166	363.217	-0.06523114	363.21658	241155	230536	246909	234721	258843	164776	188361	282486	236095	288545	185367	121958	360506	223663	250593	231392	151899	342899	454617	402846	369973	279947	174312	230089	265419	292809	155603	251159	297673	269870	334966	261141	364663	203767	410102	310313	402467	206538	165141	265139	159178	176281	7546	0	0	189343	113523	8015	287927	188002	255640	235795	216701	0	372689	307334	131769	316970	249455	88798	272074	172959	299373	235008	104709	307700	245522	173895	235638	419869	299151	191492	200103	273455	137020	224595	0	165847	252520	160984	155482	134175	211197	183990	235390	174769	331759	157417	193392	226409	372860	403381	419270	163035	267829	0	259742	276137	176445	267571	289277	356985	126126	265561	188271	217608	200521	0	186528	253105	Lipid	0.23809524	1.4285715	0.0
12	C21 H30 O5	363.2166	363.21713	0.051551126	363.2166	7277	12538	12920	11850	3409	4356	11935	11306	5189	2954	4490	6149	2475	3108	7707	17352	15697	4867	3328	4779	2412	11211	5491	10764	7396	1819	17235	0	10980	16173	7863	12968	8273	4616	0	12570	10587	6332	16782	2486	4243	4285	622	724	674	4074	6603	1090	12570	14319	14101	10568	4008	829	6326	5628	5207	12369	0	0	0	0	4458	3768	4993	4553	2561	16825	0	4212	4908	4461	6276	13208	21992	13174	621	6369	12210	0	6205	5520	9936	3814	5673	5154	13059	3435	4174	18310	9787	8174	12844	3463	7333	764	10738	11574	4708	7326	8553	14315	5359	6630	0	7994	6159	644	8061	1742	Lipid	0.23809524	1.4285715	0.0
28	C18 H34 O5 S1	363.21997	363.22025	-0.23387295	363.21988	2936	2805	1605	3785	3177	3691	1900	0	0	1883	2823	2564	2350	3019	3107	0	2212	2093	2222	0	2671	2020	2236	1789	2291	2475	2909	8083	0	2800	2087	1342	1755	2599	1209	0	1288	2109	3882	1287	3066	0	3668	2784	5219	0	4097	3135	1557	2594	2295	1924	2193	5213	2394	2939	1827	1622	2324	4000	0	2588	2008	2818	36638	2610	2833	0	2528	2305	2160	2595	2661	0	2563	1850	5217	3100	2906	4846	4431	4115	2762	2732	2566	2584	3045	1952	1548	1752	38302	26511	2342	3025	2301	2372	3247	2952	3684	1090	2043	0	2666	2420	3183	2114	2062	2840	1968	2856	Organosulfur	0.2777778	1.8888888	0.0
24	C18 H34 O5 S1	363.21997	363.21994	-0.37284592	363.21985	969950	966865	930337	978971	857199	692549	787764	949444	769956	1306402	849508	462000	1064839	675035	826555	1209943	619448	1156705	1549781	1669310	1617486	1102719	673645	845657	856869	1214879	694673	922616	982071	793205	733129	979184	1269050	848266	1556557	1015944	1388682	713174	680555	975443	692767	617527	22185	6362	6368	732982	509715	7806	960973	637229	949533	905372	779158	10122	1149737	769280	487874	1499731	795178	378021	1315980	633452	927087	818421	452369	1044310	868236	645083	934943	1684109	1308635	704377	729558	834536	588812	803117	0	624680	724879	549067	553237	536063	781503	695791	737962	630172	860969	614717	868015	1058615	1649328	1670297	2334891	633289	1007655	9823	976284	1026341	597004	741838	817443	1330486	506520	1042968	608718	1171247	622531	5856	722673	908843	Organosulfur	0.2777778	1.8888888	0.0
10	C20 H30 O4 N2	363.22784	363.22836	0.05310603	363.22784	7225	6494	5938	3178	1456	1411	3382	7864	1042	5093	2981	3943	0	1498	7775	13750	6632	1178	1877	9923	4969	7509	3525	7741	7592	4376	3575	3542	10089	6211	6141	8410	7395	7418	6079	5950	8711	3050	6960	7538	3080	2890	0	0	0	4476	4927	0	11084	5866	5690	8249	677	0	0	0	1466	14024	0	0	11807	2695	1062	0	1026	1538	2043	8655	0	7808	7230	6148	6735	5330	6746	4584	0	5042	3597	0	3570	1014	0	3715	976	1261	6578	3153	3760	22264	13992	0	15021	4004	7391	0	4688	5706	0	0	0	6665	4218	5442	0	8989	742	0	5247	0	Lipid	0.2	1.5	0.1
22	C25 H30 O2	363.23184	363.23224	-0.036939193	363.23184	5670	6631	4573	4192	4995	3786	12438	9175	2015	1712	3099	8410	0	0	5091	7766	23525	0	3307	3120	2231	4019	5096	5754	4435	5994	13118	4794	3659	7688	6816	6437	5999	3824	2655	6720	6629	11559	26923	2358	4684	4005	0	0	0	1379	3178	0	3711	8583	9023	6810	5358	0	5227	5229	5741	6423	3879	7863	7720	1488	1417	3540	3763	1840	2000	21848	3766	4784	10151	2114	3233	7031	15440	9224	0	5121	8431	2821	10092	2103	4306	2824	9161	6382	15906	4685	6479	16694	2319	4552	8974	3944	2220	0	6012	4152	4857	8210	7045	9381	6767	2306	2065	7630	7693	0	10379	1915	Phytochemical	0.08	1.2	0.0
24	C25 H30 O2	363.23184	363.23227	0.021514121	363.23187	12865	11077	13460	11581	9674	6202	11656	15291	11790	5436	9702	14482	5158	4741	17917	22360	38817	8577	14808	8543	9336	8449	11863	15211	11091	26240	15933	7491	12640	22734	15767	18385	17554	9038	4619	21214	12902	17429	40233	9000	11994	10446	0	0	0	6303	10033	0	17025	15211	13492	14949	11400	0	10021	9563	10441	18076	9915	10646	17189	6605	7224	9226	6276	4915	10407	40917	18102	14274	21426	7268	9724	19120	22841	18933	0	9696	20982	9188	13816	9052	9564	5916	15869	11694	26177	9324	9264	34768	7784	5593	16473	7148	10074	0	13648	12134	10374	12433	15067	21254	12137	15865	4213	15928	11837	0	16189	6560	Phytochemical	0.08	1.2	0.0
16	C18 H34 O7	363.23773	363.2382	0.12419617	363.23776	7155	6306	4143	3627	0	3282	0	29493	0	0	0	0	0	1153	0	14727	0	0	0	10063	0	0	0	4138	0	0	0	2769	5219	7764	3784	14680	0	7265	0	6673	0	0	0	34529	0	22894	0	0	0	37440	0	0	34186	11450	4242	5454	0	445	0	2492	3151	15975	0	0	11842	0	3482	0	9950	0	3406	0	0	23734	0	18494	0	0	0	2311	0	0	0	5171	0	0	0	0	6165	22251	0	8627	3164	0	58294	81164	0	0	14774	0	6210	6486	0	10999	69572	0	0	26721	0	0	13867	0	0	0	Lipid	0.3888889	1.8888888	0.0
14	C18 H34 O7	363.23773	363.23813	-0.18096435	363.23767	0	0	0	0	0	1526	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2947	0	2061	0	0	0	1826	0	0	3897	0	0	0	0	0	0	0	995	0	0	0	0	0	0	0	2221	0	1708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2708	0	0	0	0	26751	52930	0	0	1462	0	0	0	0	995	11365	0	0	0	0	0	1622	0	0	0	Lipid	0.3888889	1.8888888	0.0
18	C18 H34 O7	363.23773	363.23807	0.056072544	363.23776	4733	4626	6095	5956	0	0	0	25851	0	0	0	0	0	1162	0	17353	0	0	0	24347	0	0	0	3824	0	0	0	4433	0	7688	4551	14623	0	0	0	6589	0	0	0	29378	0	10999	0	0	0	34162	0	0	32448	14710	6708	6648	0	0	0	0	2897	16292	0	0	9795	0	4378	0	6093	0	1755	0	0	26916	0	19125	0	0	0	0	0	1300	0	18427	0	0	0	0	3120	12144	0	3127	1192	0	59826	74124	0	0	9656	0	2955	5020	1413	4340	35630	0	0	28419	0	0	6310	0	0	0	Lipid	0.3888889	1.8888888	0.0
28	C22 H34 O4	363.253	363.25336	-0.16330673	363.25293	26466	24596	24127	23704	22486	11549	64666	26179	20540	15922	29412	12797	21015	21058	30930	29892	32175	17737	36735	22265	18586	21419	17345	15977	37343	35375	46803	45537	38944	39352	19229	32469	40118	25638	26778	44125	32996	32892	34713	18978	17839	20989	3704	1842	3815	17903	15746	2649	26919	26348	23236	22001	25158	5793	30658	25157	18663	36982	35548	15836	28492	23164	16428	18514	20494	36991	48350	40917	26886	19633	21572	12533	20492	41912	22769	27243	3611	13149	23602	36881	14208	20634	31905	25914	41148	26441	51581	14742	19244	35956	47223	47748	25740	25422	20019	2334	27074	27802	16934	32681	45654	51862	14316	37673	35555	27841	57486	2749	27279	11669	Lipid	0.18181819	1.5454545	0.0
20	C22 H34 O4	363.253	363.25342	0.07212094	363.25302	16160	17094	13788	13690	10855	5617	51363	18830	3972	6012	7328	13307	4823	14232	13381	30847	57726	6556	14966	4091	3829	9354	10364	7320	16906	12594	55732	10614	20579	25591	9671	25162	10702	14484	5363	24750	12884	15674	57047	0	8408	11632	927	0	0	1844	5644	0	27605	14805	19434	15676	11827	11137	6574	9060	11860	18107	9839	13952	15377	3533	7744	4445	16169	11380	19974	55116	5449	6108	11532	8360	12552	22550	57316	21674	0	7134	16674	14387	9299	5801	45457	39244	11652	14690	38073	10911	17490	67226	18328	11274	13795	3254	6451	0	13586	19667	9525	12979	19809	24843	9516	14759	23611	11773	11276	0	25229	4817	Lipid	0.18181819	1.5454545	0.0
22	C22 H34 O4	363.253	363.25342	0.014298576	363.253	67723	68285	61363	64777	43459	30890	264566	57653	27233	40706	50207	37376	31763	64107	51850	93819	154110	38033	53668	36326	29183	37235	36054	36339	72209	83178	252085	62922	71571	76136	51329	81928	71410	56065	46972	88802	56485	59280	169320	24218	51808	45574	2462	0	477	26771	49487	0	70829	56229	61665	62343	54259	723	38814	40609	43082	82352	30244	61449	75152	16418	51332	24977	62186	63591	80182	189469	34165	39426	48341	29303	50233	65779	144053	65548	303	27133	70266	69141	33813	40103	142861	124703	54501	61651	119528	46132	54044	194921	70582	59165	64442	27729	38054	0	57298	64765	35873	52861	59867	90841	34260	55921	31303	49093	45373	0	68974	33762	Lipid	0.18181819	1.5454545	0.0
6	C21 H34 O3 N2	363.26422	363.26483	0.1364804	363.26428	15854	13184	22337	8312	0	0	3285	144442	0	2552	5088	102291	0	0	10058	34100	10846	0	0	1618	0	0	716	4796	3270	0	4983	0	213845	375057	243148	277593	13887	343983	0	397581	21732	7866	5177	0	0	1299	0	0	0	0	0	0	210090	229287	26088	9485	0	0	0	0	0	19809	0	0	24400	0	0	0	0	0	759	7528	0	0	0	392261	402928	615690	76160	247135	0	130260	662	0	899	0	0	0	0	0	853	1175	8718	6632	0	0	5221	0	0	0	31650	34230	0	0	0	18952	100768	0	0	3598	0	0	1624	0	Lipid	0.14285715	1.6190476	0.0952381
8	C21 H34 O3 N2	363.26422	363.2648	0.15714788	363.26428	37674	40869	21206	41414	0	0	1805	2309	0	1101	3423	6264	0	0	1487	4634	971	0	0	0	0	0	915	4203	1800	0	3140	0	4927	24753	11304	82438	9039	17008	0	8942	3973	2225	1814	0	0	1090	0	0	0	0	0	0	17094	5290	21783	34184	0	0	0	0	0	8332	0	0	4850	0	0	0	0	0	0	9558	0	0	0	18512	69198	10276	102308	84269	0	6112	1100	0	1792	0	0	0	0	0	1039	0	4068	8406	0	0	5702	0	0	0	9923	11655	0	0	0	3884	11490	0	0	2096	0	0	2153	0	Lipid	0.14285715	1.6190476	0.0952381
22	C19 H38 O6	363.2741	363.2746	0.15309367	363.27417	2337	3449	1918	2677	0	0	0	1218	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1449	6939	0	0	0	0	0	0	0	18981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	90088	0	0	0	0	5651	33155	0	0	0	0	148781	130054	0	7773	0	0	2083	2185	0	6419	39080	0	0	0	0	0	9480	0	0	0	Lipid	0.31578946	2.0	0.0
18	C19 H38 O6	363.2741	363.27454	-0.15612182	363.27405	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	102318	0	0	0	0	0	0	0	0	0	0	92697	48753	0	14379	2498	0	0	1965	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.31578946	2.0	0.0
24	C23 H38 O3	363.28937	363.28976	0.041188687	363.2894	4681	6629	5387	7363	3330	1919	142430	2522	0	1561	7122	2217	0	28967	2842	3481	22273	0	1678	0	0	1457	1876	1645	3803	18175	145547	14165	4113	4423	1690	5372	3286	1555	1752	5309	2888	3517	20220	0	9954	1939	0	0	0	1050	2634	0	3765	2848	7995	7835	2319	0	0	2693	5639	2767	0	11163	11255	2657	12298	0	26624	4388	10857	17677	3144	3291	5385	0	1408	4027	6391	3270	0	2063	2633	11744	3512	8682	29085	30128	0	0	9858	2725	5209	15594	10607	9361	3241	1951	0	0	8658	10897	5131	1538	2137	2532	2664	8228	4022	1384	1350	0	6162	2438	Lipid	0.13043478	1.6521739	0.0
28	C23 H38 O3	363.28937	363.28973	-0.18654889	363.2893	14448	10232	15873	12392	7879	6410	177683	12400	7402	7719	43407	8961	7678	27455	13003	10287	12579	4807	7971	9339	10570	8712	9383	8398	26869	25833	121919	257656	11819	14543	9750	12412	9797	7387	7291	16516	8204	16297	14310	7793	10877	18814	6224	5111	11279	9334	10460	5891	10654	12164	14039	15813	7761	11378	8728	16046	21063	11364	13848	14587	22507	12923	16109	6289	35445	12023	19004	13308	22287	9538	8774	7288	9855	16518	10095	11064	11434	9316	12288	90490	9120	22053	23453	22200	10966	14021	29851	8095	10288	19442	30618	30524	11694	20671	8583	6398	15430	13767	16335	9590	13683	12086	9532	21520	25789	10027	7813	5760	14936	7608	Lipid	0.13043478	1.6521739	0.0
26	C20 H42 O5	363.3105	363.3109	-0.07553678	363.3105	8398	6620	9350	0	9101	4019	0	41837	0	11870	17659	0	0	5704	0	22428	0	0	4378	28093	0	2046	0	6240	0	0	0	13830	11952	8919	7728	19814	0	7393	5047	9644	0	0	0	25250	3941	0	0	0	0	20242	0	0	30288	9942	8353	7751	2548	0	0	0	5026	27838	72200	0	20960	18316	0	0	0	4297	7809	0	0	47608	2500	20743	3455	0	0	6735	0	0	1907	0	0	0	0	0	0	0	0	10797	5702	2956	343483	93513	0	12250	6563	0	7452	8385	0	0	0	0	0	13513	165659	1841	0	0	0	0	Lipid	0.25	2.1	0.0
26	C24 H42 O2	363.32574	363.32568	-0.119345665	363.3257	0	0	0	0	0	0	41045	0	0	0	3460	0	0	11517	0	0	0	0	0	0	0	0	0	0	0	0	43486	5661	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3206	4322	0	0	0	20222	0	0	0	5202	0	0	0	0	0	0	0	0	0	0	6295	0	3833	0	4879	0	0	4006	0	0	1369	0	0	0	0	0	0	0	0	2507	0	0	0	14259	0	0	0	0	0	0	0	Lipid	0.083333336	1.75	0.0
28	C24 H42 O2	363.32574	363.32602	-0.086970724	363.3257	1780	1338	2554	804	1422	990	24733	3380	880	2368	15822	1275	1893	4919	0	2070	0	0	0	0	0	1251	2573	1867	3167	7858	17117	15521	0	0	2044	1921	1017	1870	4648	0	1150	1919	2347	1432	1852	0	2162	1740	0	0	2451	0	1088	2327	1754	2054	1124	3304	0	3722	1677	1695	2338	3965	4334	2194	1025	1101	6634	959	2422	887	12081	949	1631	1731	1344	3077	0	1712	0	1484	1316	9909	1228	4654	1439	3158	0	1946	3069	1707	1028	1905	8004	5348	0	5216	1976	1328	1711	0	3364	0	1901	0	12359	4066	3666	1281	1843	2223	2190	912	Lipid	0.083333336	1.75	0.0
8	C16 H13 O9 N1	364.0663	364.06693	0.15171672	364.06638	3315	4467	2726	2850	7901	16951	0	3932	12198	3095	3726	1878	13708	3397	0	7282	1376	6176	9176	2150	5448	8475	2128	1940	1839	0	0	0	22728	11100	2920	4065	2322	1544	10567	1917	3077	747	1252	2019	8187	10932	0	0	0	0	4899	0	8707	1057	3440	4015	5035	0	12801	11028	4737	3158	0	0	0	3020	24838	12821	3221	10041	3795	1291	0	0	2055	3228	18340	2094	0	874	0	5682	2855	0	2589	1494	541	0	11382	0	1502	3971	4259	2654	0	0	2363	6258	2928	0	3375	4315	6717	14627	7844	1268	1622	1689	0	2407	7010	0	609	16871	Phytochemical	0.5625	0.8125	0.0625
18	C16 H13 O9 N1	364.0663	364.0668	0.20095047	364.06638	8387	11620	8932	10535	22799	12320	1643	0	15147	19702	8135	2302	44258	5228	3786	7392	4058	29433	23595	7662	9704	36961	7538	5307	3173	0	2795	1970	0	1855	1715	0	9453	0	17017	0	6300	6293	2699	6256	15583	4923	838	0	0	5952	11119	714	3630	0	9043	8445	16208	0	23794	21067	8265	4268	2229	6510	6506	8714	36852	21949	8425	29096	9531	6441	2310	0	2139	1347	0	0	1720	0	528	3602	10924	27203	6090	5015	2459	5435	19556	10462	7975	8041	11233	12042	4407	4604	16593	41120	27863	0	11625	10166	11926	21571	19698	4161	4532	4203	5828	8043	11295	0	3061	38941	Phytochemical	0.5625	0.8125	0.0625
24	C16 H13 O9 N1	364.0663	364.0668	0.1650805	364.06638	2298	3939	1782	1378	6180	2550	0	0	10732	2006	0	1707	11143	2137	0	1677	0	9454	8097	1380	0	5595	1869	1639	0	0	0	0	0	0	0	0	0	0	2271	0	2235	1746	0	0	1534	1784	0	0	0	0	0	0	0	0	2932	2094	4045	0	8365	2639	3341	3106	1206	0	0	2105	20385	10324	1960	6657	1170	0	0	0	0	846	0	0	1302	0	0	0	2673	5842	3184	0	0	0	7066	0	2850	2565	2191	3757	0	1269	0	7422	4866	0	1411	4576	2858	4649	2820	2082	0	1541	0	1722	3447	0	1600	21105	Phytochemical	0.5625	0.8125	0.0625
20	C16 H13 O9 N1	364.0663	364.06677	0.12074481	364.06635	5056	4952	5048	3178	10962	6402	0	1597	9519	7356	0	1816	27894	5065	3700	1897	1840	14230	8829	3056	5504	13339	3249	2814	0	0	2363	0	0	0	0	0	2440	0	4715	0	2581	2227	0	3921	5872	4397	495	0	378	0	6540	1407	1672	1530	4400	6081	7969	503	8978	11164	5466	2377	0	0	1904	5177	24747	16737	3148	15937	3425	2413	1123	0	0	1302	0	0	0	0	445	1046	8957	11852	4073	1574	0	0	16461	7747	5288	3006	5533	2723	2432	1834	8037	21805	8703	0	4623	4663	7198	11603	12421	2913	1661	0	2259	4672	8993	0	2019	23352	Phytochemical	0.5625	0.8125	0.0625
12	C13 H17 O11 N1	364.08743	364.0881	0.24064094	364.08752	3427	7150	3340	5321	14089	6163	0	1942	18006	14961	5682	3914	29828	4460	1644	2061	2471	16012	12592	18867	20465	22479	4087	2805	2448	16756	0	11501	1858	903	0	1511	2956	0	26157	997	1931	1383	3296	18834	25674	7177	0	0	0	6670	10720	0	2944	1257	6639	5448	9325	0	22200	19385	7101	2223	0	8140	0	16862	32425	17524	5832	12488	6211	0	17345	26336	27082	1212	1550	0	1180	0	0	0	2437	0	2908	5700	1837	13215	13408	5748	2996	6885	4979	6452	7409	8675	5505	22428	16622	0	5515	3208	15907	15672	14826	3981	1357	3180	0	3142	9163	0	1468	30550	Phytochemical	0.84615386	1.3076923	0.07692308
8	C13 H17 O11 N1	364.08743	364.0881	0.2980164	364.08755	0	2948	1999	1601	8325	2602	0	0	5291	0	1419	0	22640	0	0	0	0	7636	8167	0	0	0	1562	0	0	0	0	0	0	0	740	0	1110	0	0	0	0	653	0	0	0	4036	0	0	0	0	0	0	0	0	1888	0	4693	0	8629	16118	2768	0	0	0	0	0	17479	11850	2458	8760	2104	0	0	0	0	0	949	0	1025	0	0	0	0	0	0	0	0	0	10800	0	0	3401	2918	1646	0	0	0	0	0	0	1847	0	7517	10742	14021	0	0	0	0	0	7921	0	0	19663	Phytochemical	0.84615386	1.3076923	0.07692308
10	C13 H17 O11 N1	364.08743	364.0881	0.25543255	364.08752	2307	0	0	0	9308	4081	0	0	7515	0	0	1099	29712	2221	0	0	0	12667	13642	0	0	0	1626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5163	0	0	0	0	0	0	0	0	1703	2315	5033	0	15362	19332	2045	0	0	0	0	0	21930	15187	3227	10248	4089	0	0	0	0	0	0	0	0	0	0	994	0	0	1218	0	0	0	10974	3797	1080	5488	3185	0	0	0	2493	2016	0	0	0	2535	7859	15960	16761	2897	1183	0	0	0	9344	0	0	21806	Phytochemical	0.84615386	1.3076923	0.07692308
12	C10 H21 O11 N1 S1	364.09082	364.0912	-0.033241138	364.0908	0	0	0	0	0	0	0	14172	0	0	0	3955	0	0	2166	31604	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51640	0	0	0	0	0	0	2429	0	0	0	0	0	0	0	0	0	0	0	4256	0	0	0	0	0	0	0	9879	0	0	19105	0	0	0	0	0	0	0	0	0	0	9158	0	0	0	0	0	4905	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3471	0	0	0	0	0	0	0	Organosulfur	1.1	2.1	0.1
14	C10 H21 O11 N1 S1	364.09082	364.09125	-0.13056149	364.09076	2938	0	0	2100	0	0	0	8592	0	0	0	0	0	0	1135	182937	0	0	0	0	0	0	0	4076	0	0	0	0	0	3253	24091	0	0	2129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8875	2351	1618	0	0	0	0	0	10127	0	0	66020	0	0	0	0	0	0	0	0	0	0	29492	1000	0	6057	0	0	2470	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2303	0	0	0	0	0	1431	0	0	4536	0	0	0	0	Organosulfur	1.1	2.1	0.1
6	C21 H17 O3 N1 S1	364.1002	364.10104	0.17033474	364.10025	0	0	0	0	535	0	0	0	705	1168	0	0	0	0	0	1057	0	0	0	0	0	0	832	0	0	0	0	0	0	900	0	0	796	0	0	0	0	0	0	0	1281	0	0	0	0	0	0	0	0	0	0	0	0	0	1108	0	0	0	0	956	1220	1290	0	0	565	682	0	0	0	0	0	0	0	0	26197	0	0	446	523	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1081	1154	0	783	0	0	0	0	0	0	0	0	0	639	Organosulfur	0.14285715	0.8095238	0.04761905
22	C17 H17 O8 N1	364.1027	364.10318	0.13057409	364.10275	10981	9998	10578	9908	13318	9757	3350	3180	13859	19701	8868	4151	11369	6817	4781	6260	4020	20208	13143	11178	15851	28868	10819	9011	8644	1859	2441	7065	4314	3023	4222	4574	6418	4775	23940	3980	7266	4430	4548	14292	12376	5201	0	0	1448	9465	16559	0	6323	2932	9913	9174	14601	1456	15201	11791	6325	5798	3978	4984	6235	12680	19699	14585	4534	14306	7472	1766	6959	13872	10087	3990	3551	1869	2747	5237	858	4041	10733	16372	7291	8627	3407	4997	13486	10353	8563	7786	6760	6272	6374	7190	9819	23522	33795	0	9404	7227	9375	13502	11436	6433	4500	6853	4849	6598	7170	0	5282	27813	Phytochemical	0.47058824	1.0	0.05882353
12	C16 H17 O7 N3	364.11392	364.11447	0.108899176	364.11395	58287	65649	68691	47769	52875	46677	44205	65967	65993	87749	41284	51891	67566	23823	55500	50496	86427	81849	99540	82828	75191	115434	66066	56904	58005	42628	47187	35853	57036	52618	55203	42570	78516	51033	89322	42771	64587	55185	90648	102936	126582	0	1080	0	0	64698	87918	0	44022	45576	65898	69816	0	0	75959	37857	0	90210	60540	53949	79050	68085	0	65973	1436	0	52176	98007	0	72797	82770	57240	38022	32595	49623	34410	0	212973	75594	80022	70982	46782	35244	38227	42696	0	89316	50589	0	178992	48590	97821	136092	63759	57540	0	61392	66051	33861	0	46731	62502	44898	57792	0	84918	47223	0	58317	98043	Peptide	0.4375	1.0625	0.1875
20	C21 H17 O5 N1	364.11795	364.11844	0.13470393	364.118	0	0	3154	3345	0	0	2083	0	0	2548	10027	0	0	0	0	0	2086	0	0	6716	4772	3190	0	2725	0	18589	0	8330	2049	0	0	0	1991	1235	5614	0	0	0	0	3706	13053	1317	0	0	0	3268	7921	0	0	0	0	2076	1691	0	0	0	0	1559	0	2116	0	3335	0	0	0	0	2595	2713	21131	16035	33819	0	0	0	0	0	0	0	0	6281	0	2360	0	0	1281	0	0	1627	0	2163	0	0	0	5669	2852	0	3248	1967	1890	0	1430	0	0	2124	2934	0	0	0	0	0	Phytochemical	0.23809524	0.8095238	0.04761905
18	C21 H17 O5 N1	364.11795	364.1186	0.21315783	364.118	2190	0	0	0	0	0	0	0	1129	5443	8769	0	0	1607	0	0	0	0	0	2638	2157	0	1201	0	0	25136	0	6222	0	0	0	0	0	0	0	0	0	0	0	1883	11577	1107	0	0	0	3772	5854	0	0	0	0	1655	0	0	0	0	0	1952	0	1744	0	3130	0	0	0	2129	1569	1514	22654	16028	25225	0	0	0	1428	0	0	0	0	3682	0	2334	0	2891	0	0	0	0	1299	2164	0	0	0	3681	3576	0	2242	0	1315	0	1337	0	0	0	0	0	1406	0	0	0	Phytochemical	0.23809524	0.8095238	0.04761905
16	C21 H17 O5 N1	364.11795	364.11844	0.27499107	364.11804	0	2537	0	0	0	0	1079	0	0	0	5826	0	0	0	0	0	0	0	0	2283	3955	0	0	0	0	20718	0	4548	0	0	0	0	0	0	0	1451	0	0	0	2000	5832	0	0	0	0	1196	1781	0	0	0	1691	1678	0	0	0	0	0	2630	0	1363	0	1866	0	0	0	0	0	0	18720	17052	29755	0	0	0	0	0	0	0	0	0	0	1109	0	2289	0	0	0	0	0	0	0	1944	0	0	2423	0	1646	0	0	0	0	0	0	0	0	0	0	0	1242	0	Phytochemical	0.23809524	0.8095238	0.04761905
16	C14 H21 O10 N1	364.1238	364.12436	0.18822221	364.1239	0	5481	11579	8288	13046	11244	0	3677	26131	5797	7458	6254	39715	9102	4701	5003	9447	35737	22048	0	13154	7422	12279	8049	0	0	1899	0	3973	4497	7178	0	9965	5597	5925	7689	10932	6396	4938	0	7508	14083	683	0	372	4706	6076	404	4376	7015	10197	9173	12362	0	40309	27210	12076	2611	6282	4161	0	9586	29592	32706	9293	19251	16220	0	7453	1747	5995	4761	7090	4866	7549	4522	343	7925	7925	10458	5977	4331	1642	0	18865	7988	4210	6035	11588	0	0	4517	0	8972	2901	0	9634	8535	12116	15341	15115	14763	6041	5386	0	0	15041	0	1706	40166	A-Sugar	0.71428573	1.5	0.071428575
6	C14 H21 O10 N1	364.1238	364.12445	0.099046126	364.12387	18392	19904	21756	14958	31352	16240	7412	18114	36152	8884	14440	15390	86392	12682	13828	15984	20938	65554	49870	0	13634	11254	19438	14728	6966	0	6248	0	17268	15626	11932	14736	25132	18326	9278	13166	19690	13478	18220	0	0	26568	0	0	0	0	9588	0	12828	12132	15128	19218	25572	0	67516	62240	20722	12908	10744	9534	20948	0	61178	36630	17010	44350	22422	23432	0	0	0	20610	13822	16030	8224	8780	0	13130	14370	0	10316	3864	3758	0	54044	26556	10704	26346	22784	18724	8670	6932	21578	8152	9094	0	16886	19494	24900	48952	77408	27256	12086	10550	0	18054	42248	0	5707	71884	A-Sugar	0.71428573	1.5	0.071428575
14	C14 H21 O10 N1	364.1238	364.12445	0.16423385	364.12387	18096	18966	16400	16060	35599	31511	0	14696	71125	7475	16136	11985	116575	16937	18178	10250	17577	88578	69643	11524	35349	10125	20547	10058	3034	0	4947	0	14133	9768	8089	0	20081	6816	15049	11994	15968	12490	13113	7985	18617	32091	0	0	0	6975	12658	0	8695	13051	11108	13272	41414	363	135633	59400	17372	8799	10320	0	0	19626	98850	100147	20334	45713	33124	11500	0	0	10470	8485	10953	14053	18243	8055	297	13949	11659	24114	12169	6086	0	0	55559	18466	10415	22351	22705	0	0	6255	16262	19061	9811	434	21828	26885	39142	42008	45012	24035	12141	8163	0	12969	42675	0	2852	100608	A-Sugar	0.71428573	1.5	0.071428575
8	C22 H21 O2 N1 S1	364.13657	364.13715	0.337593	364.1367	0	0	957	1292	0	0	1473	1305	940	0	0	0	845	0	872	1918	0	0	0	0	0	1623	0	1457	0	993	810	0	0	0	913	0	0	1089	0	956	0	0	1041	0	1167	1020	0	0	0	0	1836	0	973	0	0	1956	652	0	1006	0	0	0	1431	0	0	1256	0	0	0	0	0	1098	0	0	0	861	0	973	15484	1196	0	0	0	0	920	1208	0	0	0	0	1496	0	0	1375	0	0	1434	0	0	0	952	0	0	0	0	0	715	1662	20330	0	0	0	932	0	Organosulfur	0.09090909	0.95454544	0.045454547
24	C15 H25 O7 N1 S1	364.14246	364.1429	0.13455346	364.1425	3001	2376	1791	3142	92727	2719	0	2147	0	0	0	0	11120	36234	1248	1910	0	12648	13283	0	0	0	0	0	1393	0	1200	0	0	0	0	0	1057	0	0	0	1712	0	1283	0	0	1962	0	0	0	0	0	0	1482	0	3271	3533	54414	0	5620	9685	733	0	1255	0	0	0	7301	1306	0	0	0	0	0	0	0	0	0	0	1979	0	0	841	0	0	0	0	0	0	6638	0	0	0	867	0	0	0	2398	0	0	0	2877	4410	1480	7348	10339	0	0	0	0	971	2263	0	0	53078	Organosulfur	0.46666667	1.6666666	0.06666667
14	C17 H21 O6 N3	364.1503	364.1507	-0.051574107	364.1503	35633	30314	29004	34369	15336	17205	37403	37129	15448	24062	15671	22667	15886	11262	27460	43574	31500	25127	28034	28692	25423	51362	28699	47316	0	9979	0	18479	34852	28638	30493	37863	44493	33268	28465	34409	44993	27442	41623	37587	38765	24309	0	0	0	34672	29562	0	36164	31663	32002	30431	15705	0	20011	11266	12829	0	41314	26299	53065	25383	16271	19175	11758	22860	19642	39296	0	17575	20623	27948	27199	27889	27247	27931	0	29275	35546	28868	54546	18147	26462	15310	15475	18145	38507	25795	20699	60177	58835	50314	73093	19863	31581	0	31140	32233	14212	11071	7071	43001	22701	38749	0	0	10143	0	30801	0	Peptide	0.3529412	1.2352941	0.1764706
12	C17 H21 O6 N3	364.1503	364.15085	0.024657113	364.15033	48282	0	50436	56219	24956	21191	61451	0	24448	38115	23132	0	21006	11867	0	0	0	43421	47761	48784	42515	89399	52278	71060	50431	12649	39485	26231	61174	49769	49278	56674	70784	56012	54763	52233	63378	46412	75959	63782	59132	34045	856	0	0	56544	51518	0	0	56119	0	46574	28739	0	27818	14649	23044	67056	60794	61357	58729	47014	31419	27212	17764	34622	30186	87735	0	35771	31213	60880	0	44566	40953	0	0	43675	63090	42005	50762	40195	52680	30447	16723	0	65036	38530	38111	130869	59563	79630	124201	39633	0	0	0	54291	15883	15355	15565	58070	39186	55191	22013	0	18265	0	59004	42863	Peptide	0.3529412	1.2352941	0.1764706
6	C14 H25 O6 N3 S1	364.1537	364.154	-0.12755997	364.15363	782	765	1689	917	0	0	0	770	0	0	0	0	0	0	0	0	0	0	0	0	0	957	0	0	0	1475	0	3977	0	0	0	0	0	0	851	0	1013	0	0	0	0	0	0	0	0	0	0	0	0	0	1338	1214	438	0	0	0	430	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	787	0	0	0	0	0	0	7183	0	0	0	0	0	0	0	562	0	0	70944	19073	1072	3193	0	0	665	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.7857143	0.21428572
4	C14 H25 O6 N3 S1	364.1537	364.15427	-0.3743112	364.15353	551	0	0	568	0	1863	0	0	0	0	0	0	0	0	0	0	0	301	0	0	0	0	0	0	0	355	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13552	0	0	0	0	0	0	0	0	0	0	24376	10817	850	1414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.7857143	0.21428572
20	C22 H21 O4 N1	364.15433	364.155	0.086682335	364.15436	0	0	0	0	0	0	0	0	0	3696	5400	979	0	0	0	0	0	0	0	2610	2505	1361	0	0	1565	22025	0	8417	0	0	0	1706	0	0	0	0	0	0	1768	1503	5198	0	0	0	0	1746	0	0	0	1667	1670	0	0	0	0	0	0	0	0	2170	1499	2010	0	0	0	0	1341	1597	20762	8888	17118	0	0	0	0	0	0	0	1890	4680	0	0	0	0	0	0	0	1607	0	5072	3083	0	2391	2512	2335	0	0	1588	0	0	0	0	0	1820	1567	0	0	0	0	0	Phytochemical	0.18181819	0.95454544	0.045454547
22	C22 H21 O4 N1	364.15433	364.15482	0.10860179	364.1544	0	0	1303	1755	0	0	3675	1498	0	1885	7465	0	0	0	0	2869	2434	0	0	2904	1886	1875	0	1944	1687	22119	5741	4870	0	0	1028	0	0	0	2807	0	0	0	2674	2790	9261	1719	0	0	0	1400	6333	0	0	0	0	1313	0	0	0	0	0	0	1251	3076	0	3409	0	0	0	0	2346	3328	16475	9486	18266	0	0	0	0	0	0	0	1751	1733	1528	0	1975	2968	0	1162	2039	0	1254	3034	0	0	0	2624	1777	0	0	1757	0	0	0	1689	0	1159	2305	1408	0	0	2772	0	Phytochemical	0.18181819	0.95454544	0.045454547
16	C15 H25 O9 N1	364.16022	364.1607	0.06598171	364.16022	26984	29433	28453	36458	33714	41522	20027	25884	74228	27626	14181	12860	94937	21284	35641	20982	20060	80380	72182	22779	27487	22857	25678	23865	20195	1618	10773	9856	36157	28231	24331	31512	45185	22751	35410	34377	37941	22091	14734	17821	7837	32507	1112	363	564	13699	0	508	30425	21664	31202	24768	37323	389	121846	48223	23432	24033	24498	5671	23026	17793	57467	67158	17306	52373	34842	13268	5676	9701	8792	20072	26015	32851	21191	23569	365	23720	24456	15241	13620	7296	14071	7830	40974	28452	19500	14344	27383	0	13293	30046	0	11916	18494	602	25194	32508	35941	29794	34724	36702	18000	17323	0	18082	42611	540	12763	76807	Lipid	0.6	1.6666666	0.06666667
10	C15 H25 O9 N1	364.16022	364.16074	0.016522547	364.16022	34140	27743	26353	29649	27385	29877	25924	50298	47105	13685	19740	25557	66518	22448	39787	44209	29057	65811	55908	20923	22900	29478	42325	38860	23313	0	16542	13204	44316	38986	27530	35057	35016	29954	23741	44854	41676	29022	26635	14894	9584	33520	1959	0	0	20261	12040	0	29364	37914	38549	31956	31617	484	102255	50112	24414	30669	30292	16099	44364	12211	50463	57111	23190	41950	34967	27146	0	0	0	30532	24396	38585	24992	29321	0	23936	34754	20284	24877	12796	13302	0	49005	35536	33827	23853	25503	19182	17974	22450	41710	16216	16756	1086	30843	49483	25733	40831	53205	46724	23637	31201	0	32920	44993	0	20034	54658	Lipid	0.6	1.6666666	0.06666667
18	C15 H25 O9 N1	364.16022	364.16074	0.16732505	364.16028	8053	5726	7772	5708	5037	9919	6311	8142	9061	2956	2218	3682	20662	4869	6929	3940	5107	12907	13860	4905	4872	2824	8369	6823	2547	0	4884	2884	5513	7374	5683	7952	9870	7601	8156	6792	11786	5644	3505	2802	3257	8029	325	332	605	3880	1905	445	5534	5716	6984	6747	9056	429	25316	12340	6531	6725	3507	3437	9380	3985	10307	15423	8003	11165	8056	6357	2590	0	0	8781	7917	11199	5163	0	449	5829	8073	2798	5364	2025	3821	0	7237	7672	4335	7074	5220	4659	0	0	5012	2868	4152	482	6802	10612	8028	6755	7294	12147	3952	6589	1912	3522	8916	491	4238	14560	Lipid	0.6	1.6666666	0.06666667
12	C15 H25 O9 N1	364.16022	364.1607	0.019703524	364.16022	17935	19721	23446	17325	40331	39867	19804	50423	77901	22430	13599	21257	94693	22317	48268	16824	28739	93395	99893	27908	33171	21467	43278	24361	23712	6429	7752	11977	48159	25863	28685	28003	49486	29335	34510	35963	27286	30164	25529	16756	0	34305	1266	0	0	20076	9589	0	27050	28644	21960	16184	45388	284	178338	74143	33724	28263	28429	19716	0	25735	94028	89979	25895	71933	34503	21720	0	9536	10784	23390	25027	32397	18963	15790	0	29822	37907	0	28791	14131	15062	11133	64474	40345	33167	21649	35146	27916	18710	31771	33527	24799	0	0	18997	37661	43464	51608	69530	31787	24855	17903	0	19917	70621	0	21295	94975	Lipid	0.6	1.6666666	0.06666667
0	C14 H25 O8 N3	364.17145	364.17224	0.020460445	364.17145	0	3267	0	2465	3513	25123	0	7409	1315	0	0	2059	7933	4832	0	0	0	6757	5430	0	1219	2218	2267	5662	1674	0	0	0	9878	0	4998	8334	14547	15928	0	5304	7120	908	1350	0	0	8404	0	0	0	2045	0	0	5547	1917	0	0	4645	0	2309	704	0	5705	0	0	2033	0	7606	1725	0	7164	6383	1646	0	0	0	16076	18909	6913	0	5197	0	1932	0	0	0	0	0	0	691	0	0	9901	7557	0	0	0	2943	0	0	0	3476	2383	1062	755	0	4621	0	0	0	4663	846	0	0	12478	Peptide	0.5714286	1.7857143	0.21428572
26	C19 H25 O6 N1	364.17548	364.17578	-0.18885447	364.17538	7258	4401	6867	7559	6270	6786	3683	9155	6886	9664	5871	5721	12355	7325	0	6847	5710	7597	10056	11860	14506	5607	7303	10606	0	10408	2024	4591	8112	9435	5203	10158	7469	8042	8990	5911	9024	4001	6747	9142	8274	0	0	0	0	0	8085	0	6894	6969	9075	8717	7398	0	8506	0	3752	9452	0	4481	12093	4585	4988	7637	2360	7395	6933	5380	9205	15128	22463	9405	11566	0	6768	7475	0	4867	5639	5135	5958	0	0	4494	7308	0	6569	6283	6996	8788	6936	4100	14965	5015	7282	0	8046	6613	3223	6939	8682	9255	6107	6432	0	8297	0	0	3405	8004	Phytochemical	0.31578946	1.3157895	0.05263158
2	C19 H25 O6 N1	364.17548	364.17618	0.06381673	364.17548	37639	39155	33481	36881	11982	15954	27858	55132	13164	35932	24773	31490	15651	8464	34613	40506	44511	19407	22372	46231	63591	46123	32843	38856	22301	23897	18980	26575	51573	39994	42950	44110	49193	37394	52588	46672	43809	28648	49297	42596	58149	19415	601	0	456	55087	254060	319	50418	41894	32314	35541	13757	462	17683	7006	9649	45655	15227	23165	38837	25698	14661	16842	9703	16606	22345	56736	31047	37163	44312	41396	44429	46016	43940	43919	401	31691	32458	38239	30788	49155	22617	24317	10297	12537	26023	18020	19798	49156	30041	36384	56867	34892	34004	729	37132	37835	11609	9999	9180	37959	29300	47831	40683	50005	8444	386	25767	17040	Phytochemical	0.31578946	1.3157895	0.05263158
4	C18 H25 O5 N3	364.1867	364.18735	-0.00511126	364.1867	25819	30926	26683	26780	10689	14058	19424	32046	11183	19160	13722	15824	9572	6048	24793	33648	28141	14564	19574	28869	26815	39547	23278	34901	28630	8408	18504	19891	32654	21613	24106	27749	30121	23565	32591	26718	31422	23169	38236	26865	22073	13708	0	0	0	25237	22980	0	30766	29302	28572	24221	13186	0	16070	5440	9326	32533	16413	13016	31446	18564	9353	10413	7979	12885	11699	31808	8972	16619	14568	0	22011	27994	22596	21526	0	22107	25357	73055	21927	11526	20711	13868	7235	10531	25468	14933	15820	39782	191714	111462	63190	30208	35151	0	24230	28816	9366	6476	6721	29996	19270	38737	14065	28407	10069	0	24025	12171	Peptide	0.2777778	1.3888888	0.16666667
6	C18 H25 O5 N3	364.1867	364.1873	-0.02696381	364.18668	46720	50213	40688	46110	13019	23587	31139	49570	12587	42215	20913	22483	13567	9531	37921	53467	36969	22165	29928	50315	50384	57794	34528	60513	37812	13397	25721	51609	53793	38741	42471	49712	56083	43550	48407	42184	56238	30193	45578	43440	37400	21093	0	0	0	43711	35497	0	51803	39489	49101	41643	20671	0	17294	6843	11730	51818	14302	18446	54029	27073	12565	11061	11653	16298	23781	50346	12238	35222	27482	43148	38006	38141	31913	35079	0	28074	32775	260689	27881	19055	23275	26018	8846	11845	39496	26361	25480	69658	315218	164311	99156	45890	49835	0	47114	44396	9085	7188	7487	52366	25628	53819	20287	45526	8758	0	37617	16289	Peptide	0.2777778	1.3888888	0.16666667
10	C18 H25 O5 N3	364.1867	364.1872	-0.021088406	364.18668	33630	32114	27944	28765	7760	11418	22452	41790	8488	30985	11172	22891	7468	4740	28052	42605	30230	16672	18715	38521	32952	44974	26562	48484	30726	13207	18594	19187	29725	34829	33646	39057	39116	31807	37242	33616	42146	22299	31706	37664	32972	0	0	0	0	35173	27620	0	41332	33371	32076	33622	9235	0	11354	3929	8289	45355	26871	26875	39564	21399	6717	8352	7555	11321	12846	37327	11566	19613	20628	40476	32781	33083	26214	30086	0	24926	28304	35967	23308	20097	23723	20604	4805	9247	0	18839	14005	54483	111687	60296	75187	29613	37440	0	35235	26856	6098	4525	3719	34673	21616	42541	0	36224	5445	0	32958	7895	Peptide	0.2777778	1.3888888	0.16666667
2	C18 H25 O5 N3	364.1867	364.18738	-0.014409654	364.1867	17913	22230	17765	18681	6187	0	19022	27832	7047	14239	10250	19208	4489	4290	24464	14562	26027	8119	11937	17860	22240	25721	21120	19855	15877	4794	9195	12069	23409	21028	24498	19294	29901	22884	21907	23612	26598	19069	30921	21952	20995	11666	0	0	0	13897	14873	0	22700	21149	18723	20463	9100	0	9415	2553	6550	24015	13397	11010	15210	12968	6017	8826	6570	8005	11428	32439	4619	11794	10440	22488	23195	25847	12323	21417	0	16969	19270	21646	20143	10205	17742	13194	3591	7092	20891	13824	12375	40860	28966	29903	46995	15172	10089	0	17553	22116	5650	2804	3513	19742	17145	24745	10977	24346	5486	0	19449	6032	Peptide	0.2777778	1.3888888	0.16666667
22	C18 H25 O5 N3	364.1867	364.18686	-0.52882946	364.1865	0	0	1885	2379	0	0	0	0	1602	0	0	0	0	25037	0	2277	0	0	0	0	0	2112	1263	2372	0	2293	0	2165	0	1282	1365	0	0	0	0	1876	2159	0	0	0	0	1128	0	0	0	0	0	0	1721	0	0	0	0	0	1638	0	0	0	0	0	1712	0	2416	0	0	0	1663	0	0	2890	0	0	0	0	0	0	0	1865	1419	0	0	0	0	0	0	0	0	0	0	1562	0	3027	1872	0	0	0	1512	1846	1705	0	0	0	0	2093	0	1857	0	0	1160	0	Peptide	0.2777778	1.3888888	0.16666667
2	C15 H29 O5 N3 S1	364.19006	364.19064	-0.105619684	364.19003	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	272	0	0	14361	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	63309	0	0	0	0	0	0	0	0	0	0	17910	10008	0	2236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.9333333	0.2
6	C15 H29 O5 N3 S1	364.19006	364.19052	-0.23687021	364.18997	1283	0	845	805	0	23798	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17658	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	657	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39513	0	0	0	0	0	0	0	0	0	0	67118	22825	0	2984	0	0	0	845	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.9333333	0.2
4	C15 H29 O5 N3 S1	364.19006	364.1905	0.037670605	364.1901	0	0	0	0	0	7715	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3893	0	0	0	0	687	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	707	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35802	0	0	0	0	0	0	0	0	0	0	44535	16824	0	1137	0	0	0	555	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.9333333	0.2
0	C15 H29 O5 N3 S1	364.19006	364.19055	0.06136369	364.1901	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6595	0	0	0	0	0	0	0	0	0	0	0	0	0	1187	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39511	0	0	0	0	0	0	0	0	0	0	8427	2882	0	2185	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.9333333	0.2
8	C15 H29 O5 N3 S1	364.19006	364.19012	-0.3259173	364.18994	0	0	1279	0	0	5157	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1159	0	0	0	0	0	0	5566	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11323	0	0	0	0	0	0	0	0	0	0	69592	23549	0	2303	0	0	1127	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.9333333	0.2
2	C16 H29 O8 N1	364.1966	364.19727	0.03833904	364.1966	16296	17722	15182	15994	16098	0	62924	10466	11064	4214	0	15180	47312	113126	11098	7726	14654	34076	106286	1447	5987	6650	13616	8708	6102	1008	66834	0	21069	12462	11592	18822	18196	15371	4220	16806	43930	10516	14743	3577	0	24010	0	0	0	3476	1431	0	19640	6640	14794	12968	19178	0	10222	10022	19816	15038	0	1336	5882	1047	6468	9198	89709	46264	27318	17899	2716	4094	0	11805	14400	11722	16156	11056	0	13854	5167	13680	7730	1992	0	600	14068	105334	7912	55044	115946	2617	20662	18816	9296	10973	1956	0	16132	18116	6378	5376	9276	17548	13090	0	2256	10954	10520	0	5170	61084	Lipid	0.5	1.8125	0.0625
14	C20 H29 O5 N1	364.21185	364.21234	-0.003426312	364.21185	51063	53407	49862	47973	20792	23789	43058	58202	21161	50632	40062	43886	24531	16631	35171	73609	71023	28027	34795	82281	81414	64939	30702	66061	42333	79803	45892	40589	56380	51984	46698	49196	59676	43808	67242	57119	55794	30845	62570	53113	58926	27868	0	0	0	38754	55906	0	52989	50081	50008	42294	29616	345	20569	17315	18592	72470	14198	38385	56022	29187	19862	20247	18729	27517	28611	69364	57656	77183	84277	45122	42170	44968	65887	50177	0	32371	51360	29921	41369	22438	27337	33295	20549	19464	50670	27327	32638	113656	73471	46905	85118	36444	58706	0	53695	48341	14065	23157	26706	57259	32921	55606	17217	48196	18171	0	47303	15902	Lipid	0.25	1.45	0.05
26	C20 H29 O5 N1	364.21185	364.21225	-0.11220436	364.21182	18763	14777	12117	12158	15273	9735	5290	11540	12407	14940	10809	7821	21931	12315	10789	14983	36640	8121	15191	22151	29367	10017	7437	10476	7500	19206	4163	15481	11889	11619	23668	13558	14294	10211	19894	15239	11033	6104	38162	15937	15612	6897	0	0	0	6811	7680	0	13676	8629	12962	11553	9936	0	12234	21349	5473	14188	6674	8404	11287	8757	12549	8048	4369	17256	8121	24580	22999	24578	23405	12037	12335	12743	11057	10871	0	7488	8105	11680	5460	4719	7568	9275	12518	0	12290	11137	6381	17039	15296	14873	14105	6441	9940	0	13643	12212	10043	22696	25612	17077	8093	9761	6574	11957	10288	0	7212	11778	Lipid	0.25	1.45	0.05
12	C20 H29 O5 N1	364.21185	364.21237	0.03146068	364.21185	51196	35627	44876	42664	17474	18400	39997	57331	13909	44017	30487	41415	16678	10740	41653	68719	49134	21515	31246	65052	81693	48869	33392	49735	45224	53190	36286	30663	40550	46806	45611	46469	71023	40138	76264	43125	48162	35060	58000	51389	43680	25951	709	0	0	39229	43026	0	53074	46997	40392	41965	21789	265	16064	10507	16827	64258	0	14170	53097	21754	15685	13598	15908	27840	21744	63454	34462	87815	77061	47552	39648	42185	41152	39051	0	43915	57659	30802	48029	14115	11942	32036	14333	12648	62248	18600	25239	81407	68367	27370	63010	23663	50552	0	42404	46024	14414	15803	20982	50791	37017	38564	0	47147	13568	0	49189	18944	Lipid	0.25	1.45	0.05
2	C20 H29 O5 N1	364.21185	364.21252	0.012877316	364.21185	17513	16619	16057	14079	1129	0	12421	37219	1348	13809	7627	17175	1043	752	17738	26593	21948	2348	4399	21084	23979	15029	13834	26052	14452	8806	13259	8463	32600	29209	24815	30402	24922	29114	15997	37513	21347	12100	23445	17279	17897	6420	0	0	0	11438	15141	0	34713	36651	15763	15524	3955	0	2283	849	2468	23876	3255	4802	21723	7875	1300	2420	3218	2596	6399	25962	7712	8843	13558	26638	28380	40667	26721	29728	0	18202	15132	10531	12025	5302	8737	11887	1739	3459	10784	6023	7471	22485	17752	16052	28961	10744	24096	0	19015	20557	1407	512	839	23890	13331	34015	6738	17782	1024	0	14294	888	Lipid	0.25	1.45	0.05
4	C20 H29 O5 N1	364.21185	364.21252	0.015214442	364.21185	43631	48245	45152	42055	5874	13006	40150	96156	5621	47289	23033	55410	6460	6118	53866	94869	56701	11920	18328	57519	53903	55435	36997	66367	54694	22187	44173	19562	70963	57493	73819	66337	67408	53835	63428	68159	69254	44285	61235	47178	40840	16530	0	0	0	43436	40722	0	88361	78262	45196	41193	12111	0	9015	3464	12074	70324	5408	7289	88347	28324	5894	10068	12761	9857	16639	64937	18096	27394	24451	62468	62392	84203	60801	55360	0	66172	40068	28174	41353	10864	18431	32755	5108	11046	31320	15020	21189	58543	60442	38340	75151	25823	62279	0	38648	51974	4993	3802	3996	60875	50129	80577	21004	51780	4715	0	44489	6317	Lipid	0.25	1.45	0.05
20	C17 H33 O5 N1 S1	364.2152	364.21567	0.039762903	364.21524	362337	366776	339972	354669	0	5309	126908	900077	0	19994	8178	618303	0	0	40515	308361	29942	0	1880	22998	12953	13934	127052	140567	40066	0	464349	17824	921442	780149	1287017	2643013	4637704	4388567	11853	1674887	1351617	0	30223	0	0	85609	0	0	0	4719	0	0	437206	1112411	377982	377676	7374	0	0	0	6159	219671	1070	0	308434	0	1580	2526	3282	4973	193635	120667	0	3983	3215	589233	864380	106733	752266	583742	0	843608	20264	0	22570	0	0	0	0	2189	32128	10666	38922	5690	6504	0	37630	0	0	0	348221	350313	0	0	0	4604208	588615	0	0	432097	0	0	34704	0	Organosulfur	0.29411766	1.9411764	0.05882353
10	C19 H29 O4 N3	364.22308	364.22357	-0.028191712	364.22308	8800	8531	7942	8311	0	3330	1374	4999	0	1429	3151	1759	0	0	3319	16173	1763	0	1471	1663	2284	12323	1345	23613	9621	0	1611	17742	3773	1418	2582	3090	4320	1665	1746	3334	1854	2238	1689	0	0	2297	0	0	0	4201	2212	0	4608	3727	6521	7467	0	0	0	0	836	16678	0	0	12843	0	0	0	1788	0	995	2540	0	2664	3357	2259	2850	2590	2430	2381	0	2100	1202	29894	1882	738	0	0	0	696	2304	1125	1056	9661	338555	131419	85817	11128	5523	0	7386	6487	0	0	0	3337	1656	2468	0	13300	0	0	7232	0	Peptide	0.21052632	1.5263158	0.15789473
14	C19 H29 O4 N3	364.22308	364.2236	0.1251354	364.2231	1895	0	2286	2556	0	0	0	0	0	0	0	1091	0	0	0	0	0	0	0	0	0	0	1074	0	1718	0	0	0	1800	1764	1300	0	2704	0	0	2042	1529	0	0	0	0	0	0	0	0	1584	0	0	0	1696	3425	3023	0	0	0	0	0	2756	0	0	0	0	0	0	0	0	0	2004	0	0	0	1316	0	2753	2612	2297	0	0	0	0	0	0	0	0	0	0	2501	0	0	4675	257804	48387	3188	4877	1426	0	0	2628	0	0	0	3220	0	0	0	2211	0	0	1369	0	Peptide	0.21052632	1.5263158	0.15789473
16	C19 H29 O4 N3	364.22308	364.2234	0.17755581	364.22314	0	0	0	0	0	0	0	2408	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1196	0	0	0	0	0	0	0	0	2370	0	0	0	0	0	0	307	0	0	1121	0	0	0	1231	0	1652	0	0	0	0	0	3532	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1654	1760	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21135	5894	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.21052632	1.5263158	0.15789473
12	C19 H29 O4 N3	364.22308	364.2235	0.10460496	364.2231	4193	6239	7801	5200	0	11066	0	3404	0	0	6103	1495	0	0	2245	1861	0	0	0	1580	0	0	0	0	3913	11793	0	74770	3080	1168	1378	1738	7853	2783	1478	4679	1811	1528	0	0	0	1959	0	0	0	0	0	0	3258	1016	5737	6427	1205	0	0	0	854	2099	0	0	0	0	0	0	0	0	974	4245	0	1734	0	1967	0	1479	0	2102	0	1792	0	115888	911	0	0	0	0	0	2297	1744	0	0	683790	323363	3489	19384	2002	0	8109	7238	0	0	0	0	2307	0	0	3128	0	0	0	0	Peptide	0.21052632	1.5263158	0.15789473
8	C19 H29 O4 N3	364.22308	364.22363	0.02405591	364.22308	8408	7014	0	8547	916	5778	1875	4708	0	1847	3000	2178	1279	0	3025	6072	4364	894	1855	5144	4384	3116	2511	7215	4849	5582	2211	79160	5185	2681	2674	4517	5109	2277	2814	4712	4598	1682	4480	2837	1697	1865	0	0	0	2628	2680	0	3789	4912	7386	10153	1568	0	0	0	653	6036	0	0	4438	1074	0	0	0	1145	2235	4094	4538	4544	3181	4798	2217	3765	2569	3295	0	2297	1715	581727	2034	0	0	2979	0	0	2652	1811	1613	6086	289411	80938	12230	30776	8750	0	8506	11460	935	0	0	4487	1626	3223	0	5215	0	0	3744	931	Peptide	0.21052632	1.5263158	0.15789473
22	C19 H29 O4 N3	364.22308	364.22342	-0.24820381	364.223	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1357	0	0	2760	0	0	0	0	0	0	0	1130	0	0	1788	0	1532	1114	0	0	0	0	0	0	0	1199	0	0	0	0	0	0	1265	0	0	0	0	0	0	0	0	4979	0	2383	0	1878	0	0	0	0	0	0	0	0	0	0	1579	1292	0	0	0	0	0	1252	0	0	50830	41631	1747	0	0	0	0	0	0	0	0	1423	0	0	0	0	0	0	0	0	Peptide	0.21052632	1.5263158	0.15789473
22	C17 H33 O7 N1	364.23297	364.2334	-0.0276363	364.23297	6796	9048	8269	9678	0	0	0	0	0	0	0	0	0	0	0	2240	0	0	0	0	0	0	0	0	0	0	0	2561551	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9622	8514	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1097	0	0	0	0	0	125179	0	0	0	0	0	0	0	0	0	0	0	0	0	3197	0	0	9062	8947	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.4117647	1.9411764	0.05882353
20	C17 H33 O7 N1	364.23297	364.2332	0.041102506	364.233	0	0	0	0	0	0	4874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1655	65603	0	0	0	0	0	0	0	0	0	0	7329	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6681	0	0	0	0	0	0	0	0	0	0	0	3302	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.4117647	1.9411764	0.05882353
22	C21 H33 O4 N1	364.24823	364.24866	0.023117537	364.24823	23040	22918	17977	21439	25612	12689	21833	22415	11718	21290	28907	14411	8230	19941	14051	29416	55426	19393	22578	30277	32773	22257	12122	16281	26644	58240	21740	26142	25880	32386	19634	21458	31103	23175	22516	22645	29464	14521	51623	22393	42586	20473	0	0	0	18870	24955	0	25679	22094	19942	23934	18346	464	11743	11624	10308	27269	13284	36269	32976	16706	10843	9839	11429	17310	25083	53117	41052	37906	50244	19152	25795	39680	33848	24050	0	14278	18702	27325	13465	11156	23019	18390	14436	16704	31145	19198	15462	81271	46132	45968	36484	22505	29494	0	20177	26746	14312	11127	14606	34388	10826	34681	15774	23773	16160	0	26306	15334	Lipid	0.1904762	1.5714285	0.04761905
8	C21 H33 O4 N1	364.24823	364.24878	0.027209865	364.24823	22236	22035	19750	21310	2102	6550	9589	41345	1117	11931	5203	20912	0	1584	12429	30614	12622	1728	4732	19217	15837	7381	10918	27923	16415	4812	15834	5249	44645	42695	30440	53424	29072	29143	18308	51312	32180	12745	15159	11340	2204	4436	0	0	0	7972	5681	0	47718	37130	20174	21040	3169	0	930	0	2362	29858	0	0	25415	5031	0	1225	1919	2905	4800	18845	0	9618	4840	30285	45482	62314	41160	101605	0	18512	9173	9964	8128	724	0	9673	0	0	12657	3233	5641	37575	24581	0	38580	9650	17419	0	19406	18422	1291	0	0	28173	18451	14823	0	20835	0	0	11779	0	Lipid	0.1904762	1.5714285	0.04761905
6	C21 H33 O4 N1	364.24823	364.2488	-0.006984033	364.24823	20331	15428	16441	14519	0	314830	12195	54356	512	12319	2445	18095	0	614	14314	30646	8035	914	1244	14516	12817	5371	8575	17432	9421	2366	12057	3346	75832	60437	42275	57741	24264	24252	9762	94089	28820	9131	12065	7244	1534	27184	0	0	0	7482	4135	0	43359	58362	15732	16157	1110	0	0	0	860	25886	0	0	23477	2458	0	0	2280	0	3889	16114	0	3269	2536	25153	45691	128517	20309	115934	0	22104	5347	4593	6782	0	407	4225	0	1049	8365	2125	3794	21299	17584	2330	17673	5490	11284	0	17680	16449	422	0	0	25166	14233	20167	0	18008	616	0	7019	0	Lipid	0.1904762	1.5714285	0.04761905
14	C21 H33 O4 N1	364.24823	364.2487	0.016837252	364.24823	11402	10465	11209	9960	1849	3168	17952	21514	0	5984	8960	17064	0	2554	12521	24330	13179	0	3931	17655	11513	0	8557	21986	18083	6096	31308	14764	15598	20868	14910	19157	15444	17935	11540	22312	15439	13560	17575	4765	0	6149	0	0	0	6247	4942	0	21659	14386	10183	7202	2224	0	0	0	2053	24498	0	0	20911	1516	0	0	2853	1897	4850	17800	0	15546	8437	20100	17075	22969	32336	23806	0	15567	11005	0	11652	0	0	5102	0	0	14626	6014	6283	31463	26882	0	35908	4187	11143	0	10235	9458	934	0	0	21497	14029	8832	0	22544	0	0	11993	0	Lipid	0.1904762	1.5714285	0.04761905
16	C21 H33 O4 N1	364.24823	364.24866	0.09249426	364.24826	7238	3255	2776	1579	0	1862	3469	2929	1199	1620	2796	2424	0	2531	2008	5951	3637	0	0	4789	4110	0	3114	5296	4753	2792	5566	4486	4703	4051	3901	0	6549	3252	3188	5015	4957	3046	4740	5467	0	1890	0	0	0	4031	3958	0	5607	2092	4489	6640	2069	0	0	0	0	10920	0	0	0	0	0	0	0	0	2493	4334	0	4982	5135	2295	3563	5064	4509	5614	0	2941	0	8200	0	0	0	3778	0	0	3778	1550	2372	31108	68405	3090	0	10789	15277	0	3776	4186	1316	1083	0	9665	3875	2226	0	0	0	0	4871	0	Lipid	0.1904762	1.5714285	0.04761905
20	C21 H33 O4 N1	364.24823	364.24866	0.041596618	364.24826	11718	10784	12102	9908	6038	6561	23276	11304	2328	9313	15595	18107	0	4728	10872	21727	40296	2225	6497	12250	10666	3562	6155	9793	8811	20009	29683	19294	13083	13952	10034	13674	12070	9121	10182	17011	10884	13201	43794	5750	21002	5439	0	0	0	3629	18105	0	10382	15629	10642	10088	6812	0	3134	3300	3260	15649	6682	28737	11140	3459	0	2622	4105	3886	7240	47714	13713	12878	17551	6882	8042	20683	56306	15040	0	9824	10126	13445	6217	3031	16470	7407	6923	3973	18505	6035	3120	46176	17407	12565	16569	10595	11603	0	8145	9127	4408	5339	7553	16004	17815	16964	7812	14446	6767	0	10514	2412	Lipid	0.1904762	1.5714285	0.04761905
6	C18 H37 O6 N1	364.26938	364.27	0.16467856	364.2694	0	0	0	0	0	0	0	0	0	3328	3886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11907	0	0	0	0	0	0	1375	0	0	0	0	0	0	639	0	0	0	0	0	0	0	0	0	746	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35348	0	0	0	0	0	0	0	0	0	3859	9717	0	0	4496	4602	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	2.0555556	0.055555556
22	C22 H37 O3 N1	364.2846	364.28503	0.35360083	364.28476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1380	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2147	0	0	0	0	0	0	0	0	0	1361	0	0	0	0	0	0	0	0	0	0	0	1462	0	0	0	0	0	0	7464	0	0	25960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13636364	1.6818181	0.045454547
24	C22 H37 O3 N1	364.2846	364.28503	0.15699822	364.28467	0	0	0	0	0	0	2782	1542	0	0	0	1181	0	0	0	2676	2362	0	0	0	0	0	0	0	1905	2415	1553	0	0	1711	0	0	0	941	0	2964	0	707	3264	0	0	0	0	0	0	0	1127	0	1253	1964	1269	0	0	0	0	0	0	1441	0	0	1597	0	0	0	0	0	0	2240	0	0	0	0	1084	0	1623	0	0	0	1401	1470	0	0	0	1311	0	0	10745	1149	0	34878	0	1671	0	0	0	0	1063	0	0	0	0	0	808	0	0	0	0	0	2267	0	Lipid	0.13636364	1.6818181	0.045454547
26	C22 H37 O3 N1	364.2846	364.28464	-0.15687661	364.28458	0	0	0	0	0	0	1699	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2678	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3152	0	0	0	0	0	0	0	0	0	0	3321	5299	0	0	0	0	0	0	19337	0	0	21039	3322	2282	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2655	0	Lipid	0.13636364	1.6818181	0.045454547
26	C16 H12 O10	365.05032	365.05063	-0.18794559	365.05026	2500	2339	4136	0	11938	7875	0	0	10759	0	0	0	25204	7644	0	0	0	19625	13260	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1495	0	0	2637	0	0	0	0	0	0	0	0	0	0	0	0	2962	3788	7239	0	14290	11754	4766	0	0	0	0	0	25830	10291	2831	15483	3344	0	0	0	0	0	0	0	0	0	0	0	6502	0	7929	0	0	0	19676	0	4780	0	4940	0	0	0	0	3286	0	0	3220	0	4898	9529	11103	0	0	0	0	0	9309	0	0	29154	Phytochemical	0.625	0.75	0.0
18	C16 H12 O10	365.05032	365.05075	-0.043299302	365.0503	12394	13801	11883	11723	39890	24420	3008	1670	38254	0	5580	7068	86492	31829	7986	3896	3369	55501	39460	0	4556	13948	13137	5553	2538	1507	3114	0	0	0	2528	0	7232	0	6481	0	5188	6842	2344	3041	2344	10308	1690	0	656	2543	8741	1701	0	0	12025	10319	25233	351	40364	40755	20186	4430	3847	2472	2904	1124	87520	47660	17336	60635	14184	4386	1439	0	0	2667	0	0	0	0	570	4485	21938	12064	15724	3657	0	1547	67445	22756	11745	11440	18572	6376	0	4139	7759	13553	7643	550	10638	9423	25744	58947	52931	6776	4200	2131	3430	3700	31414	466	1932	79539	Phytochemical	0.625	0.75	0.0
28	C16 H12 O10	365.05032	365.0507	-0.13850792	365.05026	5566	4556	5509	4785	13874	7218	1902	0	13149	1443	1576	2972	25915	9651	2746	0	0	19656	18442	0	1859	3117	4172	2022	0	0	1361	0	0	0	1142	0	0	0	1194	0	2636	2308	0	760	1151	2176	0	0	0	0	0	1622	1232	0	4525	3813	7772	0	14752	12300	3850	1983	0	0	2337	1180	20255	12238	3789	16434	4095	822	0	0	1038	0	0	0	0	0	0	1202	8867	2093	7508	0	0	0	18126	7156	6345	2603	3907	1834	819	1217	1948	3552	3021	0	6326	6069	8158	11331	13090	2127	1246	0	2932	2389	10504	0	2426	22138	Phytochemical	0.625	0.75	0.0
24	C16 H12 O10	365.05032	365.05072	7.84442E-4	365.05032	2746	3433	3915	4198	15066	7648	1375	0	11152	1641	1156	0	25032	10619	2772	0	1315	21202	12080	0	0	1773	4079	0	0	0	0	0	0	0	0	0	0	0	1789	0	2393	2275	0	1687	0	1830	0	0	0	1272	0	0	0	0	6533	3697	10256	0	18548	8358	4654	0	2306	0	0	1042	32999	15231	2158	16441	2361	0	0	0	1549	0	0	0	0	0	0	1126	7155	1989	8477	0	0	1101	23101	6588	4654	1973	3260	0	0	0	1994	3287	2192	0	3522	5544	7088	14336	20580	0	1148	0	0	0	8631	0	1430	35999	Phytochemical	0.625	0.75	0.0
20	C16 H12 O10	365.05032	365.05072	-0.012462872	365.05032	6886	6427	7352	8765	31665	17733	1389	0	32690	3588	1642	2689	58640	23429	6380	0	0	33969	29983	2840	3328	6437	6337	2671	2531	0	2643	0	0	0	2090	1889	2820	1899	4028	0	4052	2534	0	1588	2659	7270	1627	0	604	0	2200	2505	0	0	10492	7271	19055	542	26136	29512	11581	0	1040	1259	1733	1617	51752	34824	11788	36951	7320	0	1174	1625	0	0	0	0	1938	0	974	2263	12187	6198	7901	1802	0	0	50140	17864	10355	5404	9699	3715	0	1726	0	8638	7097	932	8817	5952	19341	42891	42038	4045	3385	0	0	0	25261	822	1888	63210	Phytochemical	0.625	0.75	0.0
10	C16 H12 O10	365.05032	365.05084	-0.09158997	365.0503	9084	9522	8411	7018	29226	9135	893	0	33584	5057	6760	4130	54786	7236	2295	0	2977	20229	24645	2561	7479	16022	7855	2133	0	0	1907	0	0	977	0	0	6246	0	8969	0	3022	4049	1969	2611	3517	7713	0	0	0	1909	3553	0	0	1250	6848	11279	15671	0	23676	31418	9257	2174	0	1829	0	1845	62382	37268	9740	33414	9462	4076	0	0	0	0	0	0	2183	0	0	2503	8645	6111	6639	1244	0	0	35750	7678	6436	13411	9480	4633	0	1624	2091	19803	7379	0	7810	8941	28905	51495	38046	2574	2197	0	0	3010	23892	0	780	53912	Phytochemical	0.625	0.75	0.0
14	C16 H12 O10	365.05032	365.0508	-0.070490375	365.0503	24979	22272	22424	23298	66462	34148	4448	2541	65492	9922	10559	11655	126721	28840	9543	4433	5419	71781	74203	5131	15916	32744	19439	4043	1251	0	2679	0	0	2497	4879	0	14168	1774	22183	2797	10703	13230	5407	3929	12864	21647	0	0	244	5549	18143	985	4819	2351	19541	18229	41281	0	70749	63595	28094	4421	5705	6368	0	5128	132447	78851	23468	84732	22394	10136	0	0	2284	2457	1909	1305	5172	3188	236	7378	24512	18699	21360	6880	0	0	83424	28508	18822	26099	32077	15058	2936	3970	8452	39320	16694	0	23839	18728	42906	97573	86226	9720	9652	0	0	6466	49130	0	4985	109562	Phytochemical	0.625	0.75	0.0
8	C16 H12 O10	365.05032	365.05087	-0.096073225	365.0503	2922	4275	2730	5429	13382	3475	0	0	15602	1395	2503	1754	22805	2816	0	0	0	8236	11527	0	2305	4253	2258	0	0	0	0	0	0	0	0	0	0	0	1415	0	948	922	0	0	1047	3195	0	0	0	0	0	0	0	0	2597	4286	7030	0	10459	17934	5090	0	0	0	0	0	33602	20267	6369	17783	3407	0	0	0	0	0	0	0	0	0	0	0	2896	0	3138	0	0	0	15136	0	2122	4746	4416	1597	0	0	0	6488	1300	0	2403	2104	13956	31589	21428	1056	1448	0	0	0	11200	0	0	27650	Phytochemical	0.625	0.75	0.0
22	C16 H12 O10	365.05032	365.05078	0.0461147	365.05035	3047	0	3223	3387	22838	10942	2349	0	16274	1962	0	1029	28904	9541	2702	0	0	21228	19198	0	0	3714	3880	0	1452	0	0	0	0	0	0	0	1397	0	1935	0	1711	2899	1225	0	2946	2893	0	0	877	2981	1243	0	0	0	5905	5819	11515	633	20796	15501	7331	0	1228	1316	0	2426	38653	23003	5043	26540	6834	0	1829	0	1785	1291	0	0	0	0	1048	0	7678	3338	10260	1280	0	1390	31378	11825	9008	2949	3878	4031	0	0	2738	4651	6201	0	3228	4323	10120	25563	24893	2485	1954	0	2610	0	19303	0	1813	43464	Phytochemical	0.625	0.75	0.0
16	C16 H12 O10	365.05032	365.05078	-0.06094196	365.0503	16200	17712	18448	18012	59541	27309	5162	3746	64604	2826	8603	9059	114157	30360	8813	5814	3417	72365	63069	6146	6177	24196	19143	4223	2595	0	3894	0	2745	2755	3313	4158	13251	2224	10092	2365	9655	9032	4995	2750	9577	15611	1221	397	649	2398	11561	1331	2662	0	23258	17444	40513	329	55884	58018	25775	9641	3668	7102	0	4932	110698	65254	19173	71534	25087	6173	3419	0	1724	3182	1201	0	3257	1936	572	6767	26791	18487	18240	5424	1864	0	74211	20155	19265	26461	25260	0	0	3696	0	24496	13998	478	24549	13258	41696	72039	81352	7691	7177	1961	7287	0	47904	614	4140	125463	Phytochemical	0.625	0.75	0.0
12	C16 H12 O10	365.05032	365.0508	-0.03917736	365.05032	16043	19701	16680	20568	49628	19575	3375	2394	53900	7650	15462	8759	65618	13701	6417	5333	5107	37289	40029	7641	12214	25239	14879	3139	0	0	2917	0	0	0	1719	1446	11104	2699	12770	0	3784	7864	2723	3641	7584	13484	563	0	0	4616	11239	540	1946	0	16319	16537	30799	0	44864	49251	22835	5341	5691	0	0	5918	112345	50471	16927	59899	16425	4611	0	0	2471	1355	1567	0	2443	1875	0	4635	15432	21254	9945	5282	1645	0	48099	14789	13381	20143	17076	7859	2736	0	7167	29913	18437	0	14708	22662	41035	69671	64014	6957	7936	0	0	5269	41222	0	2214	102589	Phytochemical	0.625	0.75	0.0
18	C20 H12 O7	365.06558	365.066	-0.04948114	365.06555	6264	6459	3595	4028	6275	3791	1176	1601	6109	18758	9660	0	7612	4086	2501	1762	1428	7445	6794	8957	10475	13193	2895	1492	0	9945	1980	5115	0	0	0	3163	0	0	20048	0	0	2047	1690	7723	7059	2567	0	0	0	3550	6123	0	0	0	6663	6085	4217	0	3971	5155	2764	1292	1329	2519	3089	3543	7505	6439	3209	5178	4406	1527	9696	9836	11276	1661	0	0	0	0	0	0	5339	8576	3772	6493	1654	5405	6092	4134	5522	5306	5283	3801	4185	3004	0	14922	17175	0	4435	2428	7649	3436	6389	1475	0	1749	3714	0	2433	0	1581	6494	Phytochemical	0.35	0.6	0.0
12	C11 H16 O8 N4 S1	365.07617	365.07602	-0.1740857	365.0761	0	0	0	0	1020	0	0	0	1686	2022	0	0	0	0	0	0	3559	0	1716	0	1559	0	0	0	0	1621	1329	0	0	1073	969	3759	2750	1763	0	1166	2583	0	4518	1946	0	0	0	0	0	0	0	0	2271	0	0	0	1477	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9370	0	2309	1742	1768	2483	0	0	1378	0	1007	0	0	0	0	0	0	0	0	0	2054	0	0	0	0	0	0	1325	0	0	0	0	975	0	0	0	0	29767	0	0	0	0	0	Peptide	0.72727275	1.4545455	0.36363637
10	C11 H16 O8 N4 S1	365.07617	365.07672	-0.016589694	365.07614	13948	12317	10776	9736	0	4849	14526	18497	0	1912	1795	14336	0	0	2443	5852	103234	3058	8699	3984	4514	0	2688	5163	1703	0	12616	3814	30880	32240	18234	52554	53641	34664	2415	46339	48234	1401	109768	0	4250	12192	0	0	0	0	0	0	47874	20029	13634	12321	3023	0	0	0	1945	15049	0	7620	0	0	0	1074	2115	2284	9531	86724	0	0	2803	16468	32675	30679	15839	41019	0	7537	1488	0	1582	0	0	0	0	1070	2188	10271	12637	7050	4503	0	1805	2427	2493	0	11334	10901	0	0	0	54787	7149	9169	0	6934	0	0	3156	0	Peptide	0.72727275	1.4545455	0.36363637
6	C21 H16 O4 S1	365.0842	365.085	0.21746461	365.0843	0	0	0	1098	1345	707	0	0	1919	1293	1779	536	1253	725	0	994	0	960	922	0	686	987	0	0	0	0	0	0	0	0	752	766	0	0	1751	0	0	0	0	0	915	0	0	0	0	0	0	0	0	0	0	1175	788	0	1084	1245	1289	0	1583	1450	0	1499	1616	2699	0	1714	1445	0	0	0	0	0	0	0	31473	0	0	0	0	0	769	0	0	0	1612	0	1007	1143	1227	0	0	0	0	754	2074	0	1769	1480	1503	2188	2028	886	877	0	0	0	2736	0	792	1295	Organosulfur	0.1904762	0.7619048	0.0
12	C17 H16 O9	365.0867	365.08722	-0.03489981	365.0867	246870	259932	258832	247397	301700	165310	99325	113234	382066	493907	366625	119590	451032	119167	117476	135540	108014	412246	401225	356927	412847	493872	163235	146789	56512	121069	95585	168210	84370	84398	105766	108245	158342	85991	647217	89645	142369	129403	123130	281120	363953	142901	7616	1067	1000	190437	310713	1496	112810	113152	253946	255816	230237	824	473296	279714	160074	156746	147523	154349	146016	250593	1192906	407904	125802	377649	167488	133558	329328	245768	373826	98453	98743	76824	97567	92245	1053	106580	200349	243356	173720	176096	70130	115124	329827	159470	166324	150931	163297	168339	118181	165912	160924	410806	381877	2187	262330	281701	331910	310117	280963	179639	102066	136999	233116	125992	275589	883	76375	613306	Phytochemical	0.5294118	0.9411765	0.0
14	C17 H16 O9	365.0867	365.0872	-0.040177923	365.0867	276980	256278	235792	250050	347144	235795	103385	120183	452869	488362	283053	118989	681618	176416	154656	133074	103167	548470	441514	361535	416708	471231	199223	147141	86127	127611	92881	199289	102542	99600	102295	127195	188610	103622	645218	107203	168358	149439	110474	279270	294673	167324	6493	1365	1235	213228	275722	2094	118867	107349	252187	252583	265445	1550	528868	309483	193014	156825	165268	137711	170452	251169	649995	451032	143570	455858	196342	103948	289951	250372	325516	107361	105130	75970	83573	101272	1169	120403	215148	306370	184818	210108	77964	123370	363019	193918	190392	172773	210784	166753	160329	191793	189197	386153	385308	2396	266399	257378	313248	365847	319769	171358	123675	157872	252808	142982	265760	1148	91286	594276	Phytochemical	0.5294118	0.9411765	0.0
10	C17 H16 O9	365.0867	365.08722	-0.0361908	365.0867	172647	157402	142333	148800	201602	118019	56745	80896	265581	353221	268303	85903	341140	89096	76986	100022	82217	262900	248600	231441	313589	253380	115789	98154	34612	84607	62365	118550	64135	61867	63882	70154	111368	60151	450683	61975	108085	83468	93805	181603	547016	96764	5855	734	750	124478	185142	804	74880	67022	164759	171782	143561	994	290223	210537	98478	97301	78470	103018	113195	149879	740678	286571	99976	252717	121355	103872	231193	156870	290386	68330	62026	48263	69618	60322	629	66094	144674	162308	118846	104744	47186	63792	244189	112047	119336	110378	111372	118701	55118	102799	111845	288523	275985	1697	168274	156192	236000	269150	223099	110440	74065	100980	122309	80235	185630	574	54570	729244	Phytochemical	0.5294118	0.9411765	0.0
22	C17 H16 O9	365.0867	365.08713	-0.034612115	365.0867	19032	16701	19265	18608	44456	27016	6410	4556	50642	25970	10669	6037	61819	25024	15606	6679	3190	51685	36831	15347	21291	26440	17195	8174	7158	12298	7167	4813	7089	4604	5608	0	9441	6838	34305	2603	8420	9663	5952	15320	15299	7788	0	0	1934	14801	26669	0	7629	5964	14719	21859	33175	1731	56034	44150	19482	6973	9160	4160	4220	13981	75318	49864	12755	48107	15440	5671	9802	17034	15102	6260	5881	3053	3011	6942	2368	7166	24854	17873	19761	17913	4728	7442	55591	23263	20711	7711	13854	6754	9433	10532	10759	30826	33241	2864	20546	17769	30007	50463	38800	9095	6189	6089	14211	10947	30855	0	8314	82187	Phytochemical	0.5294118	0.9411765	0.0
26	C17 H16 O9	365.0867	365.08704	-0.18510632	365.08664	8821	6074	6802	7663	19350	11962	0	0	14761	12889	2070	0	33569	10728	0	0	0	28919	21477	6450	8431	7928	6759	0	0	0	0	0	0	0	0	0	3171	0	9984	0	2498	2822	2140	4655	4244	0	0	0	0	6154	7046	0	3228	0	8572	6997	6496	0	22692	14871	6351	3253	2386	0	0	4440	25267	18433	3088	23003	5181	2915	0	5290	4972	0	2803	0	0	0	0	3223	9739	0	7863	4394	2182	0	18167	9657	5033	3300	5010	0	4073	4763	0	7779	13277	0	6601	7300	9921	17650	12134	0	3236	0	0	2443	9177	0	2517	32189	Phytochemical	0.5294118	0.9411765	0.0
6	C17 H16 O9	365.0867	365.08728	-0.10537926	365.08667	24502	28144	22265	23449	32461	18071	6498	12461	49141	50499	41123	15239	59697	15341	12116	19877	15129	43774	41334	24160	47979	35335	21075	18198	2810	10137	7634	14972	7211	9051	11524	12697	17347	10007	54014	8826	14220	13699	20730	19635	35078	19461	883	298	414	13725	22651	628	13147	13403	26618	29364	28151	425	41987	47163	19679	13089	10457	18022	17496	19179	68876	47624	17170	43228	20525	23121	28942	27769	46554	11766	9603	7182	7323	10724	456	10216	25586	9743	16740	9734	6128	8287	53921	21674	23836	18668	21015	19386	3760	10933	17302	27647	26196	436	26420	25076	35521	59727	59979	17951	12881	14007	8536	14100	37127	0	7837	76905	Phytochemical	0.5294118	0.9411765	0.0
24	C17 H16 O9	365.0867	365.0871	0.023831688	365.08673	12314	12463	12772	12668	21514	13853	1859	2778	29144	13918	5374	2999	55436	12099	6454	2081	2268	32071	31799	6309	13177	20090	9748	7272	2706	4472	1588	2190	0	1890	3095	2555	6275	3214	14989	1454	6691	3415	4041	9301	5461	4888	0	0	0	6759	11325	2126	1909	2394	9229	11739	16485	0	37437	26038	9381	3188	3267	2263	3159	7940	51949	28446	4946	30684	6987	3261	5658	8824	7459	3320	2980	0	1808	2211	0	4333	13898	13886	14047	8220	1657	5148	30868	11306	8325	6972	6802	2186	5478	5858	3205	12544	18016	0	7906	8448	14068	23705	27089	3690	4283	2772	8765	4868	14913	0	2577	51016	Phytochemical	0.5294118	0.9411765	0.0
20	C17 H16 O9	365.0867	365.0871	-0.08881123	365.08667	46201	43625	51278	41356	83862	62858	16533	16711	95682	61710	27377	18739	161729	46735	32567	21512	13257	110809	88880	44066	43642	64550	33252	26217	25396	19038	18462	18589	15517	9906	17852	14124	24164	15941	68256	12638	31682	26203	11860	38301	34980	26914	4988	1345	1747	42173	49807	3199	20436	19992	41772	46536	54585	2114	98004	76245	37360	26173	21383	11823	19626	34541	149309	95466	28579	99810	43019	11957	34044	34321	34465	18218	14174	11046	9725	16479	2049	22442	49370	34746	41521	40257	14432	23531	98430	49163	36047	27042	42388	16248	25384	35391	32984	63065	62039	2028	43501	40279	61280	95817	76657	20045	18545	22627	37677	26759	57872	1923	22801	149108	Phytochemical	0.5294118	0.9411765	0.0
6	C16 H16 O8 N2	365.09793	365.0985	-0.12912396	365.0979	37541	39378	29595	38685	37964	18631	12556	28441	49804	48410	45277	24879	61942	11943	16493	29806	30997	45643	51708	29493	63223	61998	25426	33855	7697	3650	13735	11716	18990	19409	22641	24978	35659	18308	67316	22394	25684	21231	35909	33463	68934	26438	0	0	0	30644	60565	0	28266	19525	36029	35858	29172	0	55065	40133	24321	34193	17291	31549	31219	32766	90880	54146	26542	49765	32323	45879	18868	15802	32033	21788	19829	15232	15435	15038	0	17324	23164	16128	17510	18912	11035	11233	45153	22065	24089	36414	29495	51520	17237	23113	46088	43878	35897	0	35395	34203	34290	49259	46234	33308	19764	30968	35617	34212	35273	0	12275	94402	Phytochemical	0.5	1.0	0.125
10	C16 H16 O8 N2	365.09793	365.09845	-0.0723859	365.0979	95140	88858	75246	80031	87028	56797	36586	58013	98434	130514	100306	62409	134725	34037	51766	62294	71205	102686	117475	80842	148876	166984	68536	79198	24307	13872	39842	38829	43452	39625	46652	50501	84345	44228	163489	41359	81368	50832	89704	123414	201576	54335	1545	0	0	68577	119983	0	52202	47589	86617	89259	68283	0	134126	76950	44824	66860	65513	79345	62936	98820	162004	122675	48995	112177	64546	90161	75803	45958	94700	50330	39050	30334	45290	43910	0	40058	69829	63517	60675	55962	29954	30180	90440	48061	67833	70595	62441	120495	34585	62800	123022	131676	106811	513	91159	84613	67007	93647	80527	72330	51265	58040	72044	76407	63040	0	44393	182876	Phytochemical	0.5	1.0	0.125
8	C16 H16 O8 N2	365.09793	365.09848	-0.09026364	365.0979	74610	77780	57474	72263	70907	38632	25122	49199	91262	99193	94735	48652	117477	25733	37970	58242	70616	85626	107580	73584	125583	139759	60395	60519	16928	12207	32389	27866	35914	36350	36521	41490	55882	39959	137705	35333	60146	39275	71246	85427	162205	53964	483	0	0	66402	118875	0	49471	38326	76766	76701	53131	0	102938	74422	41215	52672	42570	65977	48713	80793	152069	108307	43932	98308	49702	76802	55444	35623	73710	46298	37151	26001	41781	33720	0	34405	59831	52688	49468	45243	24343	23798	86254	35313	50845	66745	60975	110163	22671	63230	92707	103749	81883	0	73283	65795	63374	89631	77162	61835	44317	56516	72522	70124	56078	0	33242	160226	Phytochemical	0.5	1.0	0.125
16	C16 H16 O8 N2	365.09793	365.09842	-0.062007483	365.09793	32915	30495	31218	25955	34698	28673	16624	18795	37725	43656	23394	19058	54543	17775	22930	24234	27397	48650	47996	24620	46752	71646	29693	28464	15511	4397	16223	12193	15189	12273	19045	18532	24492	17208	45560	10560	28138	22144	31788	39484	47284	20787	832	0	282	27856	27206	0	20970	19445	29275	37703	28903	349	44589	24412	21096	25229	19867	19294	25899	36604	52239	38789	16329	42149	26952	37409	13821	16569	22032	17774	11943	5199	18010	14053	0	20652	36843	31530	22369	19575	11598	18065	31775	21343	38424	30280	29640	51060	14634	34459	43053	44225	45853	0	32263	27218	18538	28765	30945	29967	19109	16321	17969	42681	29713	0	26776	63901	Phytochemical	0.5	1.0	0.125
12	C16 H16 O8 N2	365.09793	365.09845	-0.08077026	365.0979	72461	76988	76888	75342	89522	60024	55237	59798	93088	107316	83900	52391	118396	33457	50655	58183	79238	110791	114598	83051	141066	180177	70228	68650	32764	21965	35883	41007	40422	34026	43707	41151	80749	36924	175783	35334	67794	47863	97277	114548	191517	59069	1600	0	0	66088	121738	0	48194	41444	84355	84720	64876	0	114186	69000	46061	71231	57382	73503	68117	118279	165751	107018	44653	116870	59106	91298	89899	54173	102094	43822	37310	24190	45924	31094	0	45204	78569	61450	54187	57153	26861	38361	81680	45309	79652	65289	64214	157418	37846	76089	126720	132706	77504	0	82692	87027	64951	74311	75292	68599	40023	43406	79041	75281	62005	0	42298	176205	Phytochemical	0.5	1.0	0.125
14	C16 H16 O8 N2	365.09793	365.09842	-0.049971197	365.09793	59333	60909	49953	70037	63790	49767	33420	39850	68397	83447	51390	33227	103378	32890	46857	85651	53547	84891	69692	59499	96580	137558	59050	52903	31267	12296	37173	22358	27519	28922	35773	29560	65103	27475	127297	21571	54387	37640	58437	72902	99551	37368	0	0	0	40374	78370	0	37178	32003	46193	54520	50005	0	83310	42702	34668	55378	38858	40560	47828	84201	102968	79970	32149	79957	47655	64644	33269	32306	50846	38344	26818	17266	38260	26076	0	32412	55786	50165	40187	40897	22674	32375	62625	30039	55354	51860	49862	92330	34249	47665	99787	89549	68478	421	60840	60404	40520	58505	52407	63033	33287	39569	38835	61262	48621	0	34187	108313	Phytochemical	0.5	1.0	0.125
4	C16 H16 O8 N2	365.09793	365.09854	-0.18723962	365.09787	6488	9210	7018	6064	8493	3288	2436	3182	13157	6653	7830	4674	15398	3248	3993	5802	6645	9645	11685	5494	10765	11572	6335	6711	1025	1522	2138	0	3496	3440	6054	3378	7281	2905	12444	3608	6213	3581	10177	7253	12821	6083	0	0	0	5239	12674	0	3816	4471	6399	7279	6862	0	11012	12509	5867	6341	3877	6176	4825	5607	23513	12771	6648	11200	5068	8078	3844	2597	7269	3567	3514	3818	0	3067	0	3901	4587	0	3408	3412	2126	1705	13208	4539	4922	8276	8084	9408	0	5172	10722	8079	5476	0	5921	7651	10437	15116	11278	5726	2481	5689	4446	7469	6978	0	1406	23160	Phytochemical	0.5	1.0	0.125
18	C16 H16 O8 N2	365.09793	365.0984	-0.034085926	365.09793	26052	34665	25359	27670	36597	17615	15478	11856	29445	56245	44670	15903	35171	19588	19339	20389	19384	28073	38670	49437	45541	49571	20419	21524	13269	86925	12700	33995	14641	8090	14946	9431	25597	11670	61456	9665	17745	18604	21245	32530	41055	16974	1092	0	0	21865	36280	382	17373	12602	30768	32553	24953	393	34761	21999	17354	23502	9689	17538	18832	30613	37828	28109	18000	43376	24209	23254	76603	84811	99284	9667	6008	3619	11965	6786	0	10470	33242	38764	25333	26128	15634	25059	34845	23357	35006	20013	25697	29140	16925	28309	40747	51835	60722	0	36434	29707	27113	29124	28088	17438	14132	16087	19989	22884	23958	0	21727	46172	Phytochemical	0.5	1.0	0.125
14	C21 H16 O6	365.10196	365.10242	-0.22299539	365.1019	5694	4921	4125	2159	4968	2433	0	1592	4018	10705	6707	1223	3999	4653	0	4671	0	2386	2771	5514	7980	0	2134	0	1183	20449	0	0	2641	3403	1937	0	4690	0	18720	0	2253	1764	2696	4935	4914	3244	0	0	0	2944	9662	0	3544	2561	4307	5945	3126	0	2637	1631	2729	1836	0	0	0	4912	1705	2358	1749	5079	2165	3297	16482	19215	26101	3221	1565	2859	0	2738	0	1390	5250	0	4675	4417	0	3838	4700	0	5321	0	2952	0	2913	0	4023	5347	7195	0	3135	0	5456	2992	4811	3762	2336	1910	0	1974	2564	0	2612	5701	Phytochemical	0.2857143	0.7619048	0.0
16	C21 H16 O6	365.10196	365.10242	-0.032912094	365.10196	9152	10098	6320	4765	7921	3976	3164	3059	8697	25232	15042	2412	6705	4363	5230	3812	4147	7712	5968	20169	15858	13136	4610	4889	3521	54422	4362	11886	4836	2523	2709	0	6225	2983	34248	3964	3634	4048	5308	12080	14866	3791	422	0	0	8216	14642	0	2340	3556	6488	9369	5964	0	4828	4457	3365	6330	4535	3791	0	10582	7242	5145	4713	8337	5921	5410	40402	39476	55356	3066	2509	2320	0	3296	0	2376	8374	6944	5669	8560	3825	14603	7518	4772	6536	5063	5825	0	6497	7265	0	11056	16629	0	10358	6975	8182	6694	3667	6105	2963	0	6862	0	7076	0	6149	6529	Phytochemical	0.2857143	0.7619048	0.0
22	C21 H16 O6	365.10196	365.10236	-0.09505151	365.10193	18615	18516	16134	16282	13345	7786	5446	4669	15464	45755	52640	4029	9984	8206	6062	10831	5743	18460	17768	36986	35170	24379	6433	7507	6598	87887	3350	37749	3139	5016	3940	4201	7821	5548	52314	4193	2702	5064	6241	22531	37346	9714	0	0	0	18333	32672	0	4839	5374	15434	16637	14674	398	14011	14282	9637	7069	6677	10991	7493	22059	12977	10638	7806	14762	17265	8246	87446	67822	101878	4655	2274	2173	3068	5162	499	4246	15918	30356	14544	22301	6291	29775	22021	14701	13712	11772	11408	13838	9879	16577	10049	34011	33201	0	19134	15380	17061	21184	11872	7149	5399	8857	18384	6524	14493	0	8302	17203	Phytochemical	0.2857143	0.7619048	0.0
20	C21 H16 O6	365.10196	365.10236	-0.030142669	365.10196	21142	26649	20462	26008	18138	9473	5130	6039	21167	56362	67870	5022	17923	17928	7428	11547	5031	21692	30840	50602	55586	44068	13429	9810	8381	114583	6186	56027	8143	6278	3878	3811	7800	4246	74845	3000	7927	6357	6894	37435	47269	11006	1257	0	0	26609	35458	633	3999	5686	25670	21818	13482	0	17670	14660	11306	10584	7161	10246	9791	23992	22685	10605	12674	22416	17252	9531	98116	86625	145251	4064	4547	1849	5262	2785	0	5435	12861	38079	13465	20260	10502	38263	24295	10322	18586	17809	12355	15361	13623	16031	15824	42755	39924	0	21829	22905	19076	20362	18825	11199	7383	11716	21940	8247	16963	0	6900	18200	Phytochemical	0.2857143	0.7619048	0.0
24	C21 H16 O6	365.10196	365.10233	-0.073091	365.10193	7964	8787	6236	5740	5767	4242	1592	1485	5597	13667	19431	1039	8048	4369	3035	3743	2829	9984	10071	12067	12708	9422	2536	3162	3262	38222	2037	14072	0	2114	2017	0	1812	0	22056	1977	1154	2024	2870	12198	23683	3911	0	0	0	13307	19153	0	1208	0	6360	7113	3590	0	8122	7961	3618	1992	2809	4619	3463	10395	7144	6538	3556	8965	4653	4062	32071	22569	44608	1021	0	0	2501	1888	0	2047	6808	14766	5650	10906	3700	11168	12172	4517	5739	4393	6590	2922	1850	4019	3577	17733	13699	0	5724	9318	8659	7350	8647	2719	2738	2450	7357	3164	7338	0	3307	5614	Phytochemical	0.2857143	0.7619048	0.0
0	C18 H20 O6 S1	365.10535	365.10617	0.2503948	365.10544	67258	61752	59919	56635	82696	93436	6185	41171	1535	5601	811538	15366	5879	8249	5620	13220	6947	30504	14988	1722	1047	10065	6240	40344	0	841	0	0	11140	35044	18645	68929	3989	533520	1678	57191	93767	3244	1030	5012	2783	16242	7029	336	0	5939	7206	460	96315	31249	55225	54875	12438	1315	1188	567	1637	55379	0	3788	52682	750	4289	2779	1816	28804	16221	4709	596	0	9609	548408	242810	76759	0	57958	641	15726	4357	0	31704	858	1884	2678	921	4829	2870	260043	42072	14425	65996	22557	25507	5019	0	755	57779	62875	1691	0	29024	52501	50450	4839	1487	40777	2018	648	2480	6412	Organosulfur	0.33333334	1.1111112	0.0
24	C18 H20 O6 S1	365.10535	365.10577	0.042817783	365.10535	5644	6184	6130	7552	5972	4025	1606	2653	5534	15813	8114	1432	9536	2732	0	2316	0	11207	9336	16096	15162	10879	1345	2930	2093	18083	0	9290	2049	0	1339	0	1596	1287	13422	1319	2364	0	4517	18127	15748	3016	0	0	0	6961	8100	0	1495	1544	6307	7302	5675	0	6242	5916	3281	4615	6015	2698	2434	19368	4680	4197	0	10907	6495	3765	17437	24316	26154	1877	1402	0	1185	0	0	0	3316	8109	2200	4340	2953	11473	4878	3508	4266	3564	2456	4926	13652	16801	4825	9258	19294	0	4186	5972	2982	3711	7129	2028	2715	3289	5165	4171	3042	0	2672	8279	Organosulfur	0.33333334	1.1111112	0.0
12	C22 H20 O3 S1	365.1206	365.12115	0.12752481	365.12064	0	0	6287	0	3245	5133	4560	4733	4715	0	0	7108	0	4717	4830	1799	4251	3308	2513	0	2029	0	0	0	7773	0	3461	0	3488	0	4765	3853	4247	4946	0	0	0	0	5882	0	9750	2707	2873	0	0	0	0	0	4197	0	0	0	0	0	0	2414	6646	6674	13630	0	0	15200	5873	4317	4927	6559	11451	0	0	0	8530	0	4404	1888	22521	3668	0	5580	7495	0	4651	4192	5096	0	0	4977	0	3782	4115	8674	5477	6794	4290	0	0	821	0	0	0	4683	6202	0	2536	0	0	2973	6733	0	4923	0	Organosulfur	0.13636364	0.90909094	0.0
18	C18 H20 O8	365.1231	365.1235	-0.046200458	365.12308	705815	696275	642147	662921	654890	546175	312839	590731	708030	1295504	575167	327159	1143507	407920	487991	499562	272673	1062608	957997	1216505	1057842	801853	541912	584736	380520	857918	300689	507140	488096	416133	488168	508743	619326	517074	1365309	466524	702650	428055	324377	979975	612999	398015	23222	6808	7224	669536	510910	7367	538352	455280	703531	687625	536586	7308	1076597	581586	376947	560063	497396	278524	504697	638656	1067660	757304	296712	795339	484408	338431	781584	1445002	1120618	536554	431741	438918	281668	502114	5931	421424	586836	356598	519794	474918	364334	518365	672833	439722	454793	380556	489003	310848	546646	692601	642393	437900	736719	12425	684940	642736	567431	538741	511128	497154	345548	522670	345102	401102	449574	7266	354968	1076566	Phytochemical	0.44444445	1.1111112	0.0
24	C18 H20 O8	365.1231	365.12344	-0.12571642	365.12305	41368	38593	36287	36592	48387	32204	15286	24339	58929	49142	22819	25985	86280	23937	32821	30701	19476	64505	62626	54912	55992	49739	39091	40210	23192	29842	12037	20839	23399	26237	28957	28219	32381	26032	70254	22282	35495	24667	24516	35553	29572	17901	8319	3995	6607	35553	36217	5942	28211	23626	38410	37706	40977	6066	67724	50521	26959	35715	24033	12922	36887	22858	79750	58270	21309	64417	29397	22879	36833	55265	50453	27463	25389	24187	18753	31438	8032	24952	45578	22660	38974	27650	19085	26375	68949	32084	34163	22447	29521	14065	29668	26645	38189	27246	45066	7344	39414	40185	36483	53171	44745	28849	24028	26601	24640	29389	36122	4837	23795	86788	Phytochemical	0.44444445	1.1111112	0.0
12	C18 H20 O8	365.1231	365.12363	-0.006791805	365.12308	1976274	2296926	2173586	2073610	1468444	1015224	1263564	1773422	940678	4036510	2500930	1094280	1645324	711914	1277372	1844490	1426366	2003688	2185386	3957980	3984364	1240248	1530054	1895786	938834	3232948	1219926	971459	1517178	1449638	1477468	839316	1798392	1485924	4893216	707917	1612406	1345218	1571278	2769990	2908458	1044610	20240	5674	5787	1889024	2083630	5392	1819288	1644468	2074246	2128338	1296272	6116	2236116	1252458	958518	1792848	816157	784749	1072614	1987342	2325370	1741128	768580	1696706	1135000	1523752	1821287	4628358	4734232	1516274	1495362	1451476	1369928	1578238	3212	1225796	1701650	679163	1729224	1601340	1360528	1744792	1571864	1003936	1489010	945636	1162980	1616264	667580	1605956	1759952	1602704	2166586	10997	2240714	2106078	1656472	1285324	1242984	1672366	1206542	881527	691444	1400282	1407048	5209	1117810	2314924	Phytochemical	0.44444445	1.1111112	0.0
16	C18 H20 O8	365.1231	365.12357	-0.020569282	365.12308	1203495	1246982	1171303	1213175	2164906	895331	1241480	987515	1379390	4942132	1156570	643493	1666549	620172	911862	892484	1173704	1639414	1607929	2396249	2197195	2930230	935678	2054114	649164	1845823	529075	950349	837383	753246	943431	963204	2213922	820554	5867414	840814	2147476	769258	1389084	3770032	2469738	642693	32522	8758	8407	2331440	988547	8685	1014578	881257	1207297	1198979	944138	9524	1579376	939085	644642	993912	969760	623892	960018	2326350	1639809	1284683	503805	2646430	1691630	1248062	1783375	5825728	4631762	1008612	913760	877550	612636	945958	7811	696296	2014828	746196	1612544	933774	707535	1118671	1106415	649849	1744608	1351514	812015	751092	839828	1092030	1176515	1791722	1386540	15908	1214037	1186316	936892	851893	866316	1849294	627853	943055	644093	961382	878281	8064	1413224	3523970	Phytochemical	0.44444445	1.1111112	0.0
20	C18 H20 O8	365.1231	365.12347	-0.090977155	365.12305	257442	275052	261996	222697	294862	240111	125969	214557	320831	423602	181735	141042	517963	168838	198093	190312	112377	444997	370972	411287	388358	288716	222311	233153	173958	307826	111786	159484	192101	161838	186405	182227	250397	182879	465108	163414	278065	157013	137119	326645	220675	159924	16654	8812	9041	234149	237379	8968	209411	172747	258531	278921	239213	8753	388935	250924	158035	205055	197435	114743	198919	211172	434623	318086	136047	324987	198773	131087	271939	461318	386571	212897	186655	178240	124489	181299	8657	159408	253284	148954	207118	166212	140898	203472	302409	180884	221856	164513	180667	140227	217424	235686	266246	169796	217559	12108	268903	249810	242187	258304	255265	205016	161819	205199	181746	182205	205911	9631	145630	525367	Phytochemical	0.44444445	1.1111112	0.0
18	C17 H20 O7 N2	365.13434	365.13474	-0.11541057	365.13428	57107	57340	47715	56981	47507	50403	53241	56980	39651	46103	29756	37235	47767	27037	58172	61465	41797	57260	53490	37547	35781	67929	52401	71629	55863	8748	51046	25371	59702	45751	61448	53738	111302	61970	49933	57805	111213	54866	54951	47869	33561	40165	1237	511	567	41599	22398	629	70645	43461	50891	51782	45022	958	34361	26909	30796	66246	27073	24200	65756	32251	37746	31151	23963	49058	44844	55567	14070	20988	19302	53325	43708	38189	36670	47426	346	44737	57802	32716	46011	25546	34568	25179	23152	31042	56355	47748	50120	55739	42932	64590	104286	34335	45767	533	54482	49866	48390	31019	30508	83260	42200	42193	17211	76667	29357	541	60300	61193	Phytochemical	0.4117647	1.1764706	0.11764706
22	C22 H20 O5	365.13834	365.13876	-0.09383951	365.1383	39038	41441	38831	43289	42136	26362	14327	22195	38776	79407	103560	12017	33799	25277	19716	24079	21329	33900	37458	74032	74062	59886	26064	31818	20244	224161	14426	86706	18681	18389	20370	22017	27304	19205	86748	17954	25876	15897	24771	70992	94638	26543	0	0	637	46311	53460	0	24089	24586	41081	39515	34602	778	28819	29069	24429	29748	20562	24656	25866	51974	33908	29793	21856	49513	44381	26968	205979	194936	282629	22621	17086	11727	15066	23324	480	13630	34080	43814	32123	46867	21511	58682	37851	29312	34184	28838	30886	33989	28613	28477	44279	51473	48821	0	35650	40655	35539	41881	33793	24240	18422	31703	32304	28937	31403	0	27915	38081	Phytochemical	0.22727273	0.90909094	0.0
24	C22 H20 O5	365.13834	365.1387	-0.11780073	365.1383	26411	27279	19497	22226	25174	15839	6038	11500	21552	44256	59571	9545	22528	16011	8441	12107	8336	26533	28220	42405	55126	27798	12845	13321	11215	139975	3946	55982	10830	10287	8331	9619	10813	9162	56841	12916	13484	9720	10385	44302	60939	12798	1759	0	0	33414	37145	0	12729	11929	22961	20215	21425	0	14449	15780	13439	10087	11791	12789	13474	28485	27516	16100	8771	27714	26647	10263	136310	92716	142361	12833	8059	7099	6749	7212	0	10946	18972	29712	14563	19978	12638	42339	19700	14733	23139	18479	15822	14010	12643	14245	13812	32769	29524	0	20805	22231	22916	22224	24199	10761	7861	18667	22789	14522	21771	0	10118	22602	Phytochemical	0.22727273	0.90909094	0.0
16	C22 H20 O5	365.13834	365.13876	-0.141914	365.1383	17881	15605	17555	10980	13099	7403	10604	16870	12863	20856	17008	9490	9708	9916	11288	17572	14290	13452	11737	23487	19310	13051	9974	15632	9378	46625	15105	25661	11591	13938	14281	10759	13848	10733	20348	14560	15692	10048	20464	20093	26565	6518	628	0	0	12566	14173	0	16671	10778	17318	18584	10734	0	7625	7924	8718	17764	11966	10406	15851	12046	9574	8600	7596	9881	8038	15061	39859	45132	60296	9362	14688	11560	11651	14968	0	8272	16502	13253	13497	12768	13681	15977	11036	7711	18249	9355	10625	0	13104	11958	0	12840	15393	438	19944	18323	13385	13885	8457	11012	9247	13570	7819	14658	9660	0	16732	10036	Phytochemical	0.22727273	0.90909094	0.0
18	C22 H20 O5	365.13834	365.13876	-0.098882236	365.1383	30553	27268	31145	30109	24842	13395	14570	27468	19964	39412	36833	15833	17755	20979	16124	31290	22065	24755	33616	45337	44765	23892	26054	27046	14156	114064	17778	34992	15598	22417	22216	20700	24571	24433	50374	17297	17102	19888	22245	42933	49765	14712	855	0	0	24406	35873	614	19780	19487	27807	32101	20297	371	20504	16214	17406	26360	16350	20584	18629	27588	24691	17432	14032	28846	19786	24317	93210	104107	158253	23266	19568	15538	20178	26949	0	15479	32176	19635	25033	24198	16238	27402	24080	18710	26381	20874	19671	33902	27035	26027	28452	20040	33711	0	30651	27468	22054	26420	16635	21712	14041	22811	15067	23270	17746	0	19953	18870	Phytochemical	0.22727273	0.90909094	0.0
26	C22 H20 O5	365.13834	365.13867	-0.13339062	365.1383	4746	6465	4407	6513	7312	2837	1696	0	6888	12902	13352	0	10475	5326	0	0	0	8127	12871	10010	10322	7466	0	0	0	34317	2101	15964	0	0	0	0	2997	0	12263	0	4807	0	2824	10547	16099	0	0	0	0	7164	11182	0	3829	0	7568	5808	5883	0	5268	7176	0	0	3178	4353	5240	6903	7896	6033	2943	10045	3841	4919	37816	26068	38337	0	0	0	0	3969	0	2800	5594	6653	3563	6437	3492	9550	8768	0	5473	5664	3643	4220	2222	3060	0	9966	5752	0	5579	5475	5933	8496	8075	0	0	5935	6645	1471	5123	0	3867	5427	Phytochemical	0.22727273	0.90909094	0.0
14	C22 H20 O5	365.13834	365.1387	-0.33193082	365.1382	11570	10614	8202	10683	4838	2903	8191	11680	3049	8721	8734	5126	3126	2968	6213	7679	6553	3321	3999	9540	9861	5679	10395	8985	5508	18974	6455	8087	5043	7586	5094	8511	5760	7211	12319	7132	4623	8229	10099	7673	10541	5308	0	0	0	10144	8057	0	8168	8423	8286	9837	6025	0	5248	3364	4549	9920	0	5782	0	6234	6029	3057	2424	6334	6496	9815	0	14866	23033	7306	6671	7928	7546	8396	0	6246	8095	0	9198	8757	7598	7214	5404	4025	10015	3581	4832	11140	6050	4937	8852	3052	7827	0	8862	6784	5880	7190	5306	6589	7105	10975	0	9871	8058	0	5956	2390	Phytochemical	0.22727273	0.90909094	0.0
20	C22 H20 O5	365.13834	365.13873	-0.07555564	365.13834	58704	51842	47575	44722	50955	38745	31254	36125	46364	76688	85716	31116	39084	35515	36252	40744	27169	44586	51802	84434	89451	64801	38114	42311	36616	226876	29784	77130	34527	31778	32192	30607	48087	36272	106728	31653	46552	31227	33935	75272	78768	32649	1628	760	986	44171	67789	1087	39152	36664	52326	61985	43508	656	33511	34422	29007	44042	32629	33581	47002	47770	50004	32411	23644	52981	43379	33264	179131	184760	268673	33702	31910	26102	28535	31298	529	27661	51028	54200	36771	34808	34513	50923	38956	26218	53745	40930	36706	50029	51731	50162	68928	58872	53877	1750	53877	56454	41399	35544	37167	45379	26374	50759	30069	49285	38578	608	39747	45068	Phytochemical	0.22727273	0.90909094	0.0
2	C16 H20 O6 N4	365.14557	365.14618	-0.20608316	365.14548	7845	6913	6699	7002	5419	0	7676	7368	7294	3363	3549	6041	7729	2021	6416	3883	11241	5438	7677	3902	5608	10120	9372	8293	3852	572	0	2790	7223	4809	7104	6208	13026	6871	7686	6861	9537	7059	10673	5241	7773	5974	0	0	0	3793	4992	0	7715	6649	6975	7045	6107	0	6601	3869	3997	10054	3050	6420	5005	3226	8488	6560	3426	8856	7068	13907	1349	2003	3277	7103	6003	5222	6088	5033	0	6180	10882	7985	7021	3313	3982	1910	5614	4888	9173	8480	5077	28224	6992	8219	19607	4271	2571	0	6737	7092	3676	4557	4151	6929	6389	4440	3129	11033	4038	0	8169	9102	Peptide	0.375	1.25	0.25
14	C16 H25 O4 N2 S1 Na1	365.15054	365.1509	-0.20407708	365.15048	6341	10202	7050	7636	3576	3369	3100	4885	6027	8140	7795	4120	5755	4060	5846	6894	5860	7189	5214	14040	14901	6370	6689	7822	4114	20815	3930	0	5509	5461	4192	0	6742	5511	12032	5420	7734	3497	7066	7010	8768	2576	0	0	0	8557	7555	0	7241	4696	8943	5348	4100	0	2840	3767	3135	6155	0	0	0	3214	7026	3753	1868	5296	4796	6643	14122	19952	21746	4428	6006	4704	4241	4013	0	3557	7481	0	8272	5714	3939	5315	3432	0	5447	2032	3834	6435	6060	7628	7262	3991	5560	0	9250	6325	6100	3550	3814	6672	5497	9471	0	4414	3894	0	6934	8064	Organosulfur	0.25	1.5625	0.125
16	C16 H25 O4 N2 S1 Na1	365.15054	365.151	-0.102136984	365.1505	10158	6030	9199	9130	6967	4804	6061	8732	6781	16161	15928	4048	6328	4883	6478	9311	3669	8995	10069	20563	14373	10073	7394	8988	6815	27447	4291	15632	6645	5876	10544	8689	12235	10490	14499	4737	8883	4897	5160	11812	9097	6644	255	0	0	5333	9134	0	9335	6569	7335	11817	6372	0	5942	3499	3775	8058	7757	6043	0	6552	8929	5928	5265	8430	4726	4102	14766	26656	26896	10390	4818	8292	5669	9214	0	5935	8179	0	8831	6309	8153	10674	4337	2522	7789	5571	4906	0	7129	8050	0	7199	7775	0	10551	8511	6647	7176	6060	6786	6596	6861	4206	0	5745	0	7251	9380	Organosulfur	0.25	1.5625	0.125
18	C16 H25 O4 N2 S1 Na1	365.15054	365.1509	-0.15986799	365.15048	10630	8713	4523	9183	9516	4819	6444	7334	5953	21875	11143	4601	11957	4439	4735	7067	3393	9965	5005	11624	14243	8164	7107	10471	3541	17809	4463	6119	6029	6369	7316	8891	9956	0	14869	6759	5348	3622	6665	15396	11829	5110	0	0	0	11047	5971	0	4744	6193	5857	9204	4050	0	9065	5750	4196	7539	3932	6106	4953	5952	7513	6117	2309	7235	6809	4411	16645	24091	18971	7500	7457	5925	6065	0	0	5391	8752	3585	5547	4743	4945	7258	6652	4097	8641	4458	4608	5663	7190	12206	5611	7665	8932	0	10478	3837	5640	5473	5164	4755	3520	6248	3030	6081	3686	0	4958	7545	Organosulfur	0.25	1.5625	0.125
20	C18 H24 O4 N2 S1	365.15295	365.1534	0.37176692	365.15308	11187	17100	10146	14022	11790	19613	7545	9075	3759	18288	22677	12357	9885	0	7988	13403	13276	16897	18975	33456	15903	23448	15872	21756	14531	32547	12808	17650	23682	6855	13806	18444	11595	22584	28594	13305	12862	10733	18150	27774	22605	13571	895	0	0	13737	12402	0	13878	10596	28242	21198	11211	440	8188	11562	7934	20328	9627	12371	24153	13647	24858	8574	2617	15485	14386	5583	14250	38007	22659	33693	25266	0	14799	18577	0	18168	20316	12279	9123	12576	14286	0	4992	3918	23235	46181	10131	22986	26097	22374	27147	16602	14718	0	20460	20391	11862	4611	12762	24776	11046	13944	14532	14697	4419	0	7128	18375	Organosulfur	0.22222222	1.3333334	0.11111111
20	C19 H24 O7	365.1595	365.15988	-0.07627062	365.15945	1408677	1456613	1376187	1221261	1174087	1129347	779434	1374961	1381434	2673520	1093252	839043	1842332	788068	1252212	1252400	743244	1771175	1792010	2616025	2435187	1467410	1196162	1421187	999558	1835298	730626	1045780	1399614	1208807	1188337	1277728	1621120	1247517	2856810	1190664	1736625	968321	808847	1833352	1071978	943859	39551	17416	10169	1181783	862119	18562	1367286	1118329	1394561	1447215	1035592	12896	1735047	1159087	772551	1394067	1243508	654838	1275246	1054334	1608899	1413659	564271	1451129	974823	822276	1606195	3104134	2205815	1328435	1238957	1274125	880024	1272458	9446	1069654	1244458	671198	1069014	684213	932142	1021768	1071964	762369	1105556	824938	977898	860935	1412825	1547834	1644421	803291	1087159	23393	1409379	1411105	911499	1229060	1269573	1421090	927231	1416766	712254	1171567	844271	18090	888463	1928719	Phytochemical	0.36842105	1.2631578	0.0
22	C19 H24 O7	365.1595	365.15985	-0.10265909	365.15945	456106	460923	381382	442155	402572	354760	240569	447770	480543	685565	299974	285001	546974	273449	431374	417525	227341	675516	499738	666801	620306	453623	420798	480382	364981	474963	197353	269985	455552	373398	413909	424824	533771	398310	708732	418810	614503	366929	247873	478593	307209	252543	26521	12248	11059	344000	282531	14341	431383	374479	433660	447016	351987	10595	598769	407365	270425	463867	352221	180703	419004	329018	558383	438531	190908	476857	306410	261498	421774	903822	618445	465816	373364	396482	227557	392638	10450	368115	443605	174078	385000	231098	274755	278517	406857	276078	383092	265198	314564	297700	436751	454219	519931	231766	358575	16701	398898	404674	280244	501495	440528	475404	331819	406759	230007	388782	281975	12550	295915	701834	Phytochemical	0.36842105	1.2631578	0.0
14	C19 H24 O7	365.1595	365.15994	-0.08318456	365.15945	3444374	3433628	3103664	3372390	2192008	1823724	2561096	3516214	2687334	3906272	2628920	2371530	2811222	681977	2716246	3637560	3076370	2926368	3102832	4962556	5085430	3246626	2977678	3583064	2456442	5192470	2413704	1315175	2996280	3149200	2907736	1756963	3578968	2658218	4518972	3238456	3170740	2499728	3219716	3649786	3550496	2019942	43671	9463	8824	2946016	1459278	11393	3379948	3119998	3222780	3010590	2165838	10604	3112126	2166368	1796728	3808084	1392250	1309751	1790473	2197116	2981644	2662980	1400620	2568510	2030352	3205142	2180978	6353918	6435594	2887772	2895072	3192316	2723902	3252384	6490	2297068	3426838	988810	3238958	2246358	2762414	2714270	2627922	836110	3342160	1958462	2314772	3680056	2766230	2721122	3985640	934905	2567800	20916	3387420	3318254	2028280	2607434	2529478	2981988	2315262	3658034	983392	2944088	1993246	9958	2696932	2627782	Phytochemical	0.36842105	1.2631578	0.0
18	C17 H29 O3 N2 S1 Na1	365.18692	365.18732	-0.20810471	365.18686	12178	16917	15367	11913	5268	10160	7676	10586	7617	20754	12129	5956	15522	5551	9610	11907	12230	10934	13591	21740	25023	9769	11217	13064	8608	20324	5407	9878	12307	10922	12627	10192	18069	9499	13320	13761	11739	6930	14834	15017	10558	8320	0	0	0	8005	7632	0	19146	7809	10659	12892	7974	0	12242	12432	7964	13300	6980	10579	14215	10533	12030	8568	3970	10546	8256	16616	22176	32160	30318	8356	12784	12632	10809	16076	0	7713	14134	5537	9590	4934	9092	8753	7696	8097	12392	6842	8331	9727	10844	10512	17247	4689	11371	0	13020	13279	6789	12627	12264	14207	5487	13792	4085	12725	5616	0	8559	10733	Organosulfur	0.1764706	1.7058823	0.11764706
20	C17 H29 O3 N2 S1 Na1	365.18692	365.1873	-0.13490917	365.1869	15181	12373	13626	11401	8042	7137	8541	12546	8435	21989	11254	6929	11067	4994	8514	13012	9529	13821	15978	29471	25791	11428	11054	12421	9853	25304	7149	13481	12552	6765	10399	13048	14550	16543	22315	14557	15389	7700	9375	14959	10150	11249	0	0	0	13665	9284	0	10809	11552	6740	13813	13503	0	12283	10689	9724	15861	8845	10198	15456	9895	16785	9808	4966	13033	8779	12933	19713	37780	27414	10155	13982	10433	11235	13511	0	11602	11382	6633	10720	5001	7548	10400	8985	7713	12368	9331	7514	15986	10085	9813	11897	10404	9593	0	12187	10896	8958	14066	12599	13526	7031	14238	5030	11104	7238	0	11683	15686	Organosulfur	0.1764706	1.7058823	0.11764706
0	C15 H28 O8 N2	365.19183	365.19254	-0.33540544	365.1917	4585	3209	4847	4321	3306	7883	0	6551	2435	0	0	2621	7179	0	2678	0	2358	41187	4542	0	2000	0	2664	6865	3075	0	0	0	11663	4605	8681	8256	11713	13864	1973	8376	9149	2719	2295	0	0	1316	0	0	0	1568	0	0	8172	3513	4963	5447	2672	0	3170	1010	0	8810	0	0	2101	0	4926	2211	2455	11343	5775	2914	0	0	0	15273	16126	10313	0	7823	0	2959	1745	0	1208	0	0	0	1423	1379	0	4651	5419	1978	0	0	7399	0	0	0	4183	4421	1045	921	0	3939	0	0	0	6208	1644	0	0	12874	Peptide	0.53333336	1.8666667	0.13333334
12	C24 H25 N2 Na1	365.19882	365.19922	-0.5659816	365.1986	3004	3472	4839	3863	2734	0	0	6450	0	6346	0	0	2159	3643	0	12482	0	3262	0	4273	4686	0	0	0	0	0	0	0	15958	1020	3690	18634	5437	3322	26685	2634	2007	0	0	4784	0	0	0	0	0	3388	0	0	6535	4866	3606	2777	2351	1200	0	0	1282	8763	0	0	0	0	1866	36792	0	0	0	0	0	7937	0	5217	20153	16984	2479	2124	0	0	0	0	0	0	0	0	0	0	0	2772	2896	0	7702	2416	0	0	2691	0	3964	5033	0	0	955	2604	1059	87027	0	2424	0	0	0	0	Phytochemical	0.0	1.0416666	0.083333336
28	C17 H32 O6 S1	365.19925	365.1991	-0.18365824	365.19916	0	0	987	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1790	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5954	0	0	0	0	0	0	0	0	0	886	55778	40756	0	879	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.3529412	1.882353	0.0
2	C18 H28 O4 N4	365.21832	365.2189	-0.17131683	365.21826	1297	1530	899	1155	313	0	991	1360	294	467	979	1442	0	0	1362	836	1244	0	0	0	593	1122	1147	1858	1171	0	0	24654	1518	1791	995	1561	1885	1393	457	824	2193	876	1512	846	0	0	0	0	0	546	495	0	1123	1119	1634	1059	0	0	0	0	0	1662	0	0	1057	357	0	0	0	0	0	1905	0	0	0	917	1505	1485	549	0	0	0	1006	42173	571	0	390	0	0	411	1430	793	817	4433	26429	3079	3227	3008	418	0	2073	1615	0	0	0	1097	1742	1076	191	1599	0	0	1302	0	Peptide	0.22222222	1.5555556	0.22222222
0	C18 H28 O4 N4	365.21832	365.21893	0.08484235	365.21835	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1187	0	0	0	0	0	0	0	0	0	0	78710	1054	0	0	0	1576	0	0	0	0	0	623	0	0	1316	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1495	0	0	0	0	0	0	0	0	0	1170	0	25184	0	0	0	0	0	0	0	0	0	0	25855	2520	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22222222	1.5555556	0.22222222
10	C18 H28 O4 N4	365.21832	365.21875	-0.20973024	365.21826	0	0	1452	981	0	0	0	6977	0	1320	0	0	0	0	0	17111	1854	0	0	0	0	0	0	0	0	0	0	0	8129	3924	25129	1500	0	0	0	941	0	0	1956	0	0	0	0	0	0	0	0	0	5957	3767	1487	0	0	0	0	0	0	0	0	0	11130	0	0	0	0	0	0	2189	0	0	0	2014	0	0	9011	1232	0	0	0	0	0	0	0	0	0	0	1081	0	0	1584	5319	0	2646	0	0	0	1375	1063	0	0	0	0	0	0	0	1170	0	0	0	0	Peptide	0.22222222	1.5555556	0.22222222
24	C18 H33 O2 N2 S1 Na1	365.22333	365.2236	-0.19842216	365.22324	5515	5800	6214	4239	2713	1929	5306	6995	5058	6197	3337	3260	6298	2798	4257	3884	2861	5665	9535	7475	9957	7414	4223	4729	5947	7970	2457	6390	4078	4802	5173	5692	8399	5314	9869	4855	9686	5557	2548	3331	1915	3322	0	0	0	4978	2653	0	5907	3934	5154	4821	3179	0	6578	3608	1915	9513	3442	1992	9769	2785	3982	5421	1825	4001	4476	2957	5504	13613	7693	2706	5533	6569	4220	3970	0	3435	4811	2927	1499	2969	3850	3268	1100	0	4693	2924	4179	9924	9192	6955	21227	3327	6071	0	2731	3709	4277	4875	2391	8714	3818	4105	2446	5604	1840	0	3111	5423	Organosulfur	0.11111111	1.8333334	0.11111111
20	C18 H33 O2 N2 S1 Na1	365.22333	365.2235	-0.3572102	365.22318	1767	0	1982	2158	2046	1270	4393	3049	2393	0	0	2099	0	0	0	3966	2175	2605	4744	0	3233	2270	1244	0	0	2336	2963	0	3068	1355	2715	3711	1566	2991	0	1778	0	2055	2290	0	2321	1425	0	0	0	0	0	0	2733	1237	3201	1844	3212	0	0	1174	2046	2867	0	1683	3942	0	3007	0	0	0	1968	3088	1293	3420	3369	1544	0	1798	3602	0	0	2462	2106	1927	1543	0	0	0	2981	1580	2746	2171	1837	3560	42192	40399	2955	0	0	0	4218	1922	1241	1658	1723	4603	3311	2482	0	2299	0	0	3116	1978	Organosulfur	0.11111111	1.8333334	0.11111111
28	C28 H28	365.22638	365.22684	0.43813753	365.22653	1505	0	0	0	1098	0	0	0	1096	0	0	0	0	1972	0	0	0	0	0	0	0	0	0	0	0	0	0	1627	0	0	0	0	0	0	0	0	0	0	0	0	0	7731	0	0	0	0	0	0	0	0	1039	837	0	0	0	1888	33920	0	4655	0	0	2780	0	0	25036	0	5240	0	0	0	0	0	0	0	0	0	0	1950	0	0	0	0	0	0	17148	57116	0	6523	1665	0	873	1351	0	1245	0	0	1357	0	1958	923	14320	0	0	0	0	0	43349	0	0	0	Phytochemical	0.0	1.0	0.0
16	C21 H32 O5	365.23224	365.23264	-0.26513734	365.23215	11881	14010	14312	12332	7584	7827	25036	12616	8373	4251	4891	9078	2148	8582	12632	15114	34649	2442	12711	3282	5693	10020	6973	13561	14533	8883	23139	9642	12256	16757	9576	17551	13547	10449	6443	20589	12453	9785	37262	1188	6086	8151	635	0	331	5614	7192	0	14593	13747	17146	15517	7571	0	8658	10115	9869	16712	3197	9938	10810	2397	9160	6040	16991	5122	10110	27095	2985	3331	7198	4329	6552	17259	31256	14003	0	7411	21907	8909	10446	5349	30075	19586	21756	18647	28462	8146	9606	39090	10631	12614	0	3063	6342	499	12822	13592	9360	29322	52079	18171	6438	8327	4018	15200	22248	0	19979	4602	Lipid	0.23809524	1.5238096	0.0
10	C20 H32 O4 N2	365.24347	365.24374	-0.23227105	365.2434	1757	4686	3985	2035	0	1691	1354	8120	0	0	1289	1738	0	0	3020	14535	2945	0	0	0	0	1303	1932	4045	5324	0	1184	0	8099	3768	34319	2676	3316	3906	1453	3938	4198	3103	2974	0	0	0	0	0	0	0	0	0	7937	4385	2445	3663	0	0	0	0	0	10584	0	0	9117	0	0	0	706	0	0	12243	0	2288	0	5836	1721	0	3752	2012	0	1599	1349	0	1454	0	0	0	0	0	2779	0	2368	13669	6231	0	12335	0	0	0	3194	1910	0	0	0	2305	1563	0	0	2855	0	0	2932	0	Lipid	0.2	1.6	0.1
20	C20 H32 O4 N2	365.24347	365.24362	-0.08988424	365.24344	0	2366	0	0	4392	0	0	0	0	0	0	0	0	0	0	0	2737	0	0	0	0	1400	0	0	0	0	0	0	0	0	0	1811	0	0	0	1360	1566	0	2778	1410	0	1200	0	0	0	0	0	0	0	0	0	2816	23958	0	3448	0	2644	0	0	1041	0	0	0	2116	0	0	0	1266	0	0	0	1236	0	0	0	0	0	1130	0	0	0	0	0	0	1789	0	2204	0	1549	5560	3136	0	3256	0	0	0	0	1916	0	0	0	0	1375	0	0	0	0	0	1235	0	Lipid	0.2	1.6	0.1
12	C20 H32 O4 N2	365.24347	365.2439	-0.1685633	365.2434	2065	0	0	1721	0	971	0	4565	0	0	0	0	0	0	2295	5945	6964	0	0	1626	1700	0	0	0	7603	0	0	0	2869	1717	12652	2712	3121	1942	2531	2708	3284	2376	2814	1175	0	1113	0	0	0	1348	0	0	6405	1528	1958	0	0	0	0	0	0	4810	0	0	0	0	0	0	0	0	0	20487	0	1531	0	2156	1296	1186	1496	1994	0	1439	0	0	0	0	0	921	0	0	1533	0	0	17251	7394	0	10259	0	1732	0	1848	0	0	0	0	1526	0	0	0	4441	0	0	2227	0	Lipid	0.2	1.6	0.1
8	C20 H32 O4 N2	365.24347	365.24393	-0.24212356	365.2434	3339	2541	1698	4455	0	0	2038	6195	0	2059	921	2549	0	0	4708	6641	4788	1074	1421	2839	2808	4209	2829	6483	8026	1025	2723	0	5822	3323	3542	4500	4963	4983	2244	4236	4456	2438	3946	0	0	1085	0	0	0	1637	1818	0	8496	4800	5306	3557	1772	0	0	0	901	9453	0	0	8479	0	0	0	0	0	1026	6292	0	1995	0	3356	2999	2247	5071	3135	0	3424	3424	2946	1811	0	0	1286	0	0	8882	1634	1046	17665	0	0	22243	1842	3229	0	3196	2953	0	0	0	2801	1490	5484	0	11021	0	0	5394	0	Lipid	0.2	1.6	0.1
22	C25 H32 O2	365.2475	365.24783	-0.23910691	365.2474	4727	9270	7328	8676	5667	1535	12602	5990	4082	1803	2814	7163	2179	0	7505	10632	32224	0	4486	2763	3574	0	8896	5607	8306	8880	11136	3515	6472	12664	5645	8070	8411	3974	2535	9400	7236	9573	28234	1773	6340	2882	0	0	0	0	5107	0	9644	8352	6740	5497	8024	0	3366	8596	6353	11752	2876	9458	7224	1370	3755	3773	5244	1658	5096	36566	5386	3637	9634	2346	5181	8480	23716	10810	0	5922	13713	3365	10863	2176	5236	2589	8875	8273	16926	4781	4323	28145	6852	3770	0	2654	0	0	6681	6398	6854	17155	10031	11631	7884	5260	3066	5689	8383	0	11069	1694	Phytochemical	0.08	1.28	0.0
22	C18 H36 O7	365.2534	365.2542	-0.29868624	365.25327	0	0	0	0	0	0	0	0	0	11394	2747	0	0	0	0	0	0	0	0	0	2719	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3218	3618	0	0	0	0	0	2371	0	0	0	0	0	0	0	0	0	0	0	12060	0	0	12136	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	136586	0	0	0	0	0	Lipid	0.3888889	2.0	0.0
22	C22 H36 O4	365.26865	365.26895	-0.2002722	365.26855	9746	10931	6937	9676	3254	2528	116085	7988	1350	0	4402	4573	0	19423	5411	15368	37677	0	3324	0	0	2151	3003	2584	7460	19167	110854	12541	12268	15923	8189	17396	8234	7505	0	14637	5214	8267	34314	0	6996	5928	0	0	0	2918	6964	0	7862	7625	9413	12291	9767	0	1534	2490	6890	10756	0	10000	10522	1071	6451	0	23787	10484	17445	37623	0	2339	5180	4505	6888	17346	25572	11612	261	3453	9319	17273	2601	6932	55502	60773	2597	10146	16531	6066	7118	32591	17379	10309	5998	3876	1783	0	8125	6596	3080	3047	5605	11184	4730	6267	2675	5185	3217	0	9766	4041	Lipid	0.18181819	1.6363636	0.0
20	C22 H36 O4	365.26865	365.26874	-0.16286774	365.2686	0	0	0	1468	0	0	14372	0	0	0	0	0	0	1463	0	1786	7070	0	0	0	0	0	0	0	0	0	21165	0	0	0	0	2009	0	0	0	1706	0	0	6933	0	0	1430	0	0	0	0	0	0	1649	0	0	1745	0	0	0	0	0	0	0	1149	0	0	0	0	1196	0	0	7141	0	0	0	0	0	1960	7528	0	0	0	0	0	1226	0	7201	0	0	0	4173	0	0	3180	0	0	0	0	0	0	0	0	0	0	1705	0	0	0	0	0	0	0	1784	0	Lipid	0.18181819	1.6363636	0.0
26	C19 H40 O6	365.28976	365.29013	-0.26031324	365.28967	2857	3641	0	0	3798	3686	0	0	0	0	0	0	0	27865	0	0	0	0	5648	0	0	0	0	0	0	0	0	1913	0	0	0	21781	1984	0	0	0	0	0	0	0	3982	10141	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1677	0	0	0	29624	3396	0	0	2591	0	0	0	0	0	0	0	0	13001	0	3964	0	0	0	28761	0	0	5392	2548	5273	5038	0	0	0	0	2132	0	0	18745	28252	20624	0	0	0	1713	0	0	0	1785	Lipid	0.31578946	2.1052632	0.0
24	C19 H40 O6	365.28976	365.29028	-0.09122781	365.28973	1163	1325	0	1235	1347	3428	0	0	0	1330	1252	0	2063	21959	0	0	0	1547	1629	0	0	0	0	0	0	0	0	3344	1211	0	0	0	0	0	1364	0	1177	0	0	0	2066	7144	0	0	0	0	1350	0	0	0	949	0	0	0	0	0	0	0	0	1338	0	0	1787	0	0	4254	17727	1734	0	0	2816	0	0	0	0	0	0	0	0	4040	0	0	0	0	0	0	0	2460	3386	0	0	0	0	0	0	0	0	1642	0	0	0	0	0	0	0	1045	0	0	0	2349	Lipid	0.31578946	2.1052632	0.0
24	C23 H40 O3	365.30502	365.30524	-0.26285544	365.30493	1590	1103	1343	0	0	821	58834	0	0	0	1494	0	0	19676	0	0	2237	0	0	0	0	0	0	0	0	7153	53954	4715	0	0	0	0	0	0	0	0	0	0	2664	0	1402	0	0	0	0	0	0	0	0	0	1137	0	0	0	0	0	0	0	0	1314	2511	0	3716	0	12619	0	1106	0	0	0	1409	0	0	0	0	0	0	0	0	4499	0	2992	7000	9905	0	0	0	0	0	0	5053	0	0	0	0	0	1081	1757	2191	0	0	0	0	1300	0	0	0	0	0	0	Lipid	0.13043478	1.7391304	0.0
18	C16 H15 O7 N1 S1	366.0642	366.06467	0.019296752	366.0642	4040	3949	5841	3469	2942	3563	0	0	3594	13330	7025	1510	7972	2130	0	1706	2071	4295	3151	5893	6573	23972	0	1872	0	3415	1418	4997	0	0	0	2735	3089	0	10709	0	0	1155	2224	15434	18703	1816	0	0	0	8970	9620	0	0	0	3271	3273	2878	0	3717	1414	1572	3634	2980	5054	2708	14248	7666	5300	1282	4084	2508	1751	8074	8798	11281	0	0	0	0	0	0	0	5612	17336	1427	5984	2040	7621	4361	2069	5659	3310	1976	3707	8615	11233	2723	28006	38181	0	5830	5136	2192	2904	4057	1495	0	2967	3835	3312	4764	0	0	8718	Organosulfur	0.4375	0.9375	0.0625
28	C16 H15 O7 N1 S1	366.0642	366.0645	-0.21145742	366.06412	1912	2080	2342	2353	1255	0	1664	3961	0	2222	0	0	2715	0	0	5913	7253	0	0	0	0	5215	4001	18117	3715	0	0	0	1954	0	2438	1328	2124	0	2413	2276	1003	2639	6296	0	1839	0	0	0	0	0	0	0	2656	2306	2367	2457	1325	0	0	0	1270	3803	0	0	4674	1723	1392	1445	0	1399	1386	7356	0	0	0	0	0	0	3954	1614	0	0	12832	5609	8440	0	0	0	0	0	16001	0	0	20919	1193	2737	14022	3677	4072	0	1647	0	0	0	0	0	0	0	0	6227	0	0	7875	2588	Organosulfur	0.4375	0.9375	0.0625
16	C16 H15 O7 N1 S1	366.0642	366.06467	-0.044533607	366.06418	3469	4361	7532	5897	5183	4532	1668	0	2974	17186	13229	0	8441	2803	1473	2775	3121	6351	5884	6317	20051	32101	2753	3444	2376	3719	0	6134	0	0	0	0	0	0	20103	0	3087	1857	2553	23330	25777	1670	321	0	0	6516	10245	0	0	1313	6296	4951	4761	0	7752	3488	1668	5139	4233	4117	0	20593	7357	6561	1519	9021	2979	1845	6968	12895	15951	0	0	0	0	0	0	0	2241	17956	2578	7243	4082	9787	4653	2786	3774	3024	3029	0	11889	17114	0	29210	40737	0	3511	5981	3034	5671	2590	0	1269	3974	5668	0	4145	0	2400	9825	Organosulfur	0.4375	0.9375	0.0625
26	C16 H15 O7 N1 S1	366.0642	366.0645	-0.15679103	366.06415	1898	0	3687	2000	1937	0	0	0	0	1833	0	0	0	0	0	5673	7259	0	0	0	0	5656	7741	22110	0	0	0	0	0	0	0	0	0	0	0	0	1547	3370	6783	0	2804	0	0	0	0	0	0	0	2297	0	0	0	0	0	0	0	0	2566	0	0	0	0	0	0	0	0	0	5957	0	0	0	0	0	0	0	0	0	0	13051	0	13133	0	0	0	0	0	9991	0	0	13934	0	0	6446	5020	0	0	3002	0	0	1753	0	0	0	0	0	5633	0	0	8949	1919	Organosulfur	0.4375	0.9375	0.0625
14	C16 H15 O9 N1	366.08197	366.08243	-0.08573392	366.08194	63397	69607	60929	59009	72108	44912	22673	25999	87100	134201	78480	28989	134074	33208	34367	32723	37064	105945	101926	72993	124529	185731	43174	38180	16213	8554	19217	36910	21089	16523	23566	24975	51721	18661	176868	19356	49435	26628	30062	77394	124336	48756	0	0	409	46533	89340	579	19781	22566	52086	57590	62325	323	111145	66318	37184	54379	30906	38275	27969	81142	158380	123156	32615	105331	54635	36646	31016	24815	47158	19920	19439	13439	23838	15868	275	30366	42632	116236	30025	40402	15943	29869	88138	32934	46312	57582	51563	64714	30537	49575	70155	152481	126645	548	61215	56879	56709	75493	68302	55329	27560	36910	69365	44715	54663	0	20632	146361	Phytochemical	0.5625	0.9375	0.0625
20	C16 H15 O9 N1	366.08197	366.08234	-0.10586245	366.0819	9620	8841	7694	6018	17748	10943	2760	1710	16133	13500	4975	5704	28177	8566	5398	7632	4403	23311	22693	4940	7665	18049	8408	5142	2950	1629	4243	2678	3534	1887	4869	3456	5258	2809	8896	0	6609	2897	3756	7533	12047	3967	1181	626	734	5349	13480	1267	5668	2142	7791	8099	12551	629	14412	10997	5516	10817	3613	2981	0	9259	29637	17652	4373	17495	7150	4321	2118	1721	3189	2916	2542	0	2445	3095	471	4316	6447	15809	4749	6199	0	0	19667	10036	8704	7639	8318	5545	5198	4239	7030	25569	21657	753	6066	6907	8870	11135	12116	4048	4847	3025	5361	7468	12216	1005	4608	28955	Phytochemical	0.5625	0.9375	0.0625
16	C16 H15 O9 N1	366.08197	366.0824	-0.10863992	366.0819	40934	36781	39272	40966	48728	33993	12632	15993	62346	78542	40408	20823	104254	25652	17107	24651	20739	97594	69202	38931	86837	112122	34565	23745	14620	4738	13453	14010	14339	7964	17623	11314	33049	12354	120593	13540	35952	19537	21070	50631	73360	31641	1889	342	551	27026	55513	1092	18986	14124	44293	33265	43877	449	78479	51743	29813	31124	23203	19883	30903	55517	100439	74219	25945	59905	43909	17105	21354	14193	21529	17599	13000	8197	15711	9259	443	16006	35331	75005	25883	29576	9132	21041	63758	27275	36701	34538	36960	29884	17660	38651	34780	99603	93638	793	39168	40692	36319	51099	54334	30583	15685	16639	28326	36863	38725	654	13031	114627	Phytochemical	0.5625	0.9375	0.0625
18	C16 H15 O9 N1	366.08197	366.08237	-0.079083726	366.08194	23560	21331	22493	18556	36218	17998	5121	7350	26782	37457	16927	10887	76183	15678	10962	12223	11059	44415	41933	20874	23832	56865	16651	12366	7612	2556	4749	8509	6647	4019	5511	5723	15391	10260	39590	3629	15736	11224	8423	19742	29254	16912	1806	413	627	14231	26022	1117	8164	7201	18445	22305	25996	635	44899	25809	14059	12096	9052	10566	12631	27177	63477	38308	13948	36206	20246	10158	10136	5010	9874	5493	5047	4524	8156	6655	505	9075	16333	34263	13686	16455	4699	7863	29531	18072	20025	23787	19030	16371	10591	14494	24379	51197	44485	531	19457	15884	19543	29786	32361	14549	5673	8176	9272	14093	21210	357	7546	58042	Phytochemical	0.5625	0.9375	0.0625
6	C16 H15 O9 N1	366.08197	366.08255	-0.07245075	366.08194	8426	9036	6906	10045	12722	5644	1552	3631	18427	11538	15020	6110	28023	3532	2732	4205	5765	15483	17372	7656	20680	16378	6508	3793	1001	1320	2355	2307	1968	2012	3053	2745	6111	2032	20377	3280	5133	2036	5709	8320	15022	6028	0	0	0	3057	10162	0	3597	4304	11582	7376	8386	0	20565	17859	7553	3997	4192	6195	3560	5541	36136	23093	7555	19913	7267	6088	4406	2686	7182	2961	2479	935	3049	3283	0	3092	4533	0	3942	4583	1392	2120	17153	5237	3920	9298	9734	8974	0	4497	8322	13348	11089	0	8909	7092	10546	19686	17562	4807	2869	5827	0	5241	9768	0	1911	35445	Phytochemical	0.5625	0.9375	0.0625
10	C16 H15 O9 N1	366.08197	366.08246	-0.0644307	366.08194	48063	47879	47908	42469	51877	29254	11993	18712	71394	80953	73966	28241	109440	21592	17831	25753	26775	67372	66176	48627	99626	116993	30121	25826	6140	5729	13144	22123	18950	16524	14059	16803	34673	13991	123212	12340	35733	16049	28697	53136	130838	31371	757	0	0	29794	68054	0	22082	16569	47966	48470	36618	0	89421	58609	25699	28603	20189	32458	27205	50531	122843	85299	26318	84345	32500	32179	40045	23916	42607	14596	17351	9298	20590	16700	0	18393	31770	59882	21582	24543	10743	16899	61215	23358	28488	37817	35819	43419	18475	27411	38891	114930	92496	0	45645	46558	48218	65155	63793	34871	22725	26381	34563	30802	43106	0	11771	118612	Phytochemical	0.5625	0.9375	0.0625
8	C16 H15 O9 N1	366.08197	366.0825	-0.09344281	366.0819	25296	30585	20175	25757	27014	12506	5538	7808	43616	41685	37592	13039	61625	11004	10701	14055	15135	35782	42981	34595	54380	58082	15878	12985	3432	3467	6505	8119	7233	8546	7919	7598	18509	7996	61430	6110	14179	12333	16132	29388	66118	19140	0	0	0	17151	37534	0	13691	8742	24995	28671	21122	0	48362	39811	17547	13952	7965	18630	14667	23347	82501	56288	15297	49822	20607	21968	22461	9167	22468	7210	9390	4591	9126	8074	0	8966	19020	20547	10505	11140	4019	8846	36446	12070	13868	24530	18669	25744	0	15107	20179	55185	42603	0	25761	23509	30749	50955	39730	15922	12021	10907	14086	17952	30094	0	7314	74895	Phytochemical	0.5625	0.9375	0.0625
12	C16 H15 O9 N1	366.08197	366.08246	-0.057897713	366.08194	68271	67166	66712	62884	68205	43426	26926	25938	93683	121576	103131	30377	123489	23846	27647	36355	45183	104045	109461	78032	146499	187450	44894	37184	12217	8670	19426	28635	18939	18423	24729	26196	52084	22361	181764	18537	49953	31287	46878	85752	178938	50068	1400	0	322	51585	82460	488	26190	26435	64513	62255	56345	360	115720	71387	40128	37031	32686	49118	54205	78379	164607	113092	30806	120275	53106	53236	46802	25714	64941	21440	19146	14623	26986	22716	0	24341	45113	88711	36221	40702	16546	22275	70553	35533	45855	51789	50708	81542	26221	55190	64639	183582	138058	0	60031	68838	70627	87715	66148	46591	30697	26701	55900	44817	57265	0	19034	184417	Phytochemical	0.5625	0.9375	0.0625
10	C15 H15 O8 N3	366.0932	366.0937	-0.10530076	366.09314	8708	7115	6202	4352	7764	4170	2027	2665	10303	5572	4875	6028	16603	3254	2544	6189	5156	11722	10245	4726	8753	15662	6939	6284	2091	0	2579	0	1081	2804	2491	3740	4927	3225	6551	2807	4402	4624	6927	8415	10117	5582	0	0	0	3256	5841	0	3966	2482	7684	8735	6852	0	13627	10466	2606	5211	4142	6477	0	6365	17321	12794	4655	9525	6307	8639	0	0	2978	2772	2231	1795	3301	2672	0	3736	5459	0	3928	1947	2502	1808	11011	4064	6803	7565	5096	13574	0	4784	10113	6785	8222	0	5366	8493	5836	9251	8310	5479	3676	3798	0	4311	6888	0	2552	21576	Peptide	0.53333336	1.0	0.2
6	C15 H15 O8 N3	366.0932	366.09378	-0.042027757	366.09317	5452	6664	5220	6547	7919	3348	1471	3753	10880	4147	2865	3952	13664	1609	3079	3620	4280	7471	11050	3707	7221	9832	4988	5507	580	0	2728	0	1763	1864	2760	3125	5716	1570	6436	1956	2295	2875	4042	3695	6897	4368	0	0	0	1558	4524	0	2287	2357	7522	4177	5647	0	12060	8122	4284	3979	2294	4354	3054	2588	22711	9650	4224	13580	4873	5573	0	0	0	2315	2207	972	2083	1938	0	3110	3903	0	2611	1638	1098	0	9613	3218	3697	5898	4860	10889	0	2652	10302	4910	4035	0	5873	5418	4482	11789	7259	5068	3177	3552	0	7752	5661	0	2590	22843	Peptide	0.53333336	1.0	0.2
22	C20 H15 O6 N1	366.0972	366.09763	-0.071312	366.0972	0	2590	2926	2167	0	0	1713	1727	0	5533	7005	1002	0	0	1396	2387	3363	2803	1616	3317	3845	4434	0	1983	1661	10934	1066	4980	1525	0	0	0	1211	1656	6711	0	0	0	1916	4263	11254	2066	0	0	0	4595	8643	0	0	0	2691	2296	2079	341	0	1435	1090	0	0	2102	0	2463	3025	1956	0	3012	1545	3793	14161	10383	29864	2374	0	0	0	1135	0	0	2178	8678	1774	5543	2013	3436	3252	1310	2219	2861	2472	3378	0	0	2563	12096	8635	0	1715	1848	2332	0	1415	1647	0	1186	4423	0	1845	0	2984	2028	Phytochemical	0.3	0.75	0.05
14	C20 H15 O6 N1	366.0972	366.09775	-0.034647517	366.0972	2355	0	2918	2518	2465	0	0	1639	0	3889	5352	0	0	1488	0	0	0	1603	0	5332	9832	0	1266	0	0	24710	0	0	0	0	0	0	2443	0	8587	0	0	0	1312	3525	9308	0	0	0	0	3728	7510	0	0	0	3314	1957	1659	0	1776	2733	1232	0	0	0	0	4056	3841	3786	1102	2232	0	1336	25865	25103	28655	0	0	0	0	0	0	0	2906	0	0	2813	1046	4323	2608	0	2647	0	1333	6852	0	0	2730	4928	8478	0	2781	0	1396	2839	2012	0	0	0	0	0	1450	0	0	1692	Phytochemical	0.3	0.75	0.05
12	C20 H15 O6 N1	366.0972	366.09778	-0.021269511	366.0972	0	2709	0	0	2447	1084	0	0	2958	3839	5006	0	1959	848	0	1503	0	1994	1980	5761	7370	0	0	0	0	22737	0	0	0	0	0	0	0	0	6260	0	0	0	2416	4110	7102	0	0	0	0	2855	5298	0	0	0	1905	1749	1278	0	1370	0	1331	0	0	0	0	3593	1846	0	0	2814	1376	0	20529	21838	33776	0	0	0	0	0	0	0	2165	0	1034	2005	0	3778	2454	0	2269	1254	1249	0	0	0	0	4031	3702	0	3338	0	2062	3033	1478	0	0	0	0	0	1137	0	0	2737	Phytochemical	0.3	0.75	0.05
20	C20 H15 O6 N1	366.0972	366.0976	-0.14889255	366.09717	4493	6059	6925	3725	2319	1762	2305	1995	3157	13327	19462	1772	0	2898	2323	0	3290	4242	4336	4449	15446	7665	1596	3626	1435	27454	1774	11094	1689	0	1756	0	2398	1267	8030	0	2005	0	1753	13390	28206	2447	520	0	0	8541	15339	623	3132	2199	5267	6714	4669	253	2039	2647	1107	3094	1157	5039	3714	7801	5621	4585	2152	1739	4075	3906	32395	23223	42955	0	1096	0	1769	0	0	0	6104	17830	2222	6618	3073	14085	2249	3955	3661	5468	3283	4550	2409	5859	3473	17027	10931	0	6354	4200	3577	4757	1947	3711	2502	4770	8366	2401	1497	0	1420	5472	Phytochemical	0.3	0.75	0.05
16	C20 H15 O6 N1	366.0972	366.09775	0.025302736	366.09723	5746	3023	4960	2230	2165	2463	0	0	0	7596	9814	1333	2473	2117	1894	1727	1979	2968	2792	7403	12244	7622	1279	0	2027	27302	1095	9337	0	0	0	0	0	0	9844	0	0	0	3659	7455	13736	0	0	0	0	3992	10521	0	0	0	3767	3503	3491	0	2939	3229	1187	0	0	2975	0	5696	3558	2329	1087	2814	1697	0	26040	31310	50401	0	0	0	2140	0	0	0	4865	8767	0	6197	1735	4442	2778	1667	2343	3773	1799	0	5651	3633	0	10220	11772	0	4251	3945	2407	3358	2026	0	0	2536	4220	0	1370	0	2492	2698	Phytochemical	0.3	0.75	0.05
18	C20 H15 O6 N1	366.0972	366.0976	-0.099191256	366.09717	6087	5593	3252	4612	2011	0	0	0	3262	11365	17644	0	2355	2457	0	1709	1549	4612	5514	10123	15870	11547	2370	1253	0	29496	2505	12221	0	0	1732	0	2743	0	14588	0	5345	0	1485	13401	23496	1662	0	0	0	5714	9641	0	1532	0	4533	5902	3304	0	3881	2270	2967	4116	1934	2633	2789	6769	3424	3348	2889	2478	3370	2934	35469	28909	58309	1777	0	0	1417	0	0	1360	3600	13923	3603	10536	1982	9780	2621	2052	2656	2626	2289	6439	5370	5768	0	18544	17364	0	3271	4549	2625	3803	3032	2264	1167	2335	4309	0	2261	0	2142	4098	Phytochemical	0.3	0.75	0.05
6	C13 H19 O11 N1	366.1031	366.10385	-0.049167484	366.10306	5513	5129	4869	3842	12048	3009	996	1620	7582	12417	7746	3460	18192	2925	2654	3967	3320	9497	11382	5829	14108	23624	3429	3735	1760	3675	2364	2666	1876	2264	1834	2011	3526	2174	15040	0	4887	0	3610	6882	13193	6244	0	0	0	4970	9687	0	2442	2010	3594	4375	7062	0	9066	10269	2582	3986	2504	3807	5953	5639	13766	6382	4295	10520	5536	4529	5852	6508	10667	2871	2096	1963	2340	1759	0	2211	1276	4350	1922	2727	1819	3223	5290	0	4403	5578	6402	8828	3845	7479	7169	10267	14992	0	5288	7851	10361	11255	13370	1306	2317	4068	0	2901	11237	0	1825	27445	A-Sugar	0.84615386	1.4615384	0.07692308
8	C13 H19 O11 N1	366.1031	366.10373	-0.002599862	366.1031	12231	22976	7491	18212	23911	7466	2778	0	14786	22174	33656	1621	45927	2757	4751	5771	10126	16847	15471	14790	41842	46080	13588	5724	2023	8525	4370	8886	4558	3790	3627	3996	7584	5759	54392	3903	5919	5417	7155	40196	50333	8104	0	0	0	11957	37578	0	7751	4504	17795	10039	10473	0	17655	13655	7962	8010	4092	8569	5901	26938	50107	27567	4058	14539	7189	6452	8672	13876	17870	5026	2910	2947	6709	3863	0	4185	8383	10645	4884	16148	4265	9253	18042	3657	8736	4725	5600	11170	0	11882	13966	32260	21634	0	7505	11806	17520	32030	20202	10430	3977	6876	0	7533	13211	0	3103	43692	A-Sugar	0.84615386	1.4615384	0.07692308
10	C13 H19 O11 N1	366.1031	366.10376	0.07110345	366.10312	0	0	0	0	6259	3919	0	0	7642	0	0	0	20551	0	1134	0	0	9092	7963	0	1594	0	2616	0	0	0	1574	0	0	918	0	0	0	1086	0	0	0	0	0	0	0	2964	0	0	0	0	0	0	0	0	0	2471	3677	0	7289	11862	3330	0	0	0	0	0	16656	8596	2081	7470	0	0	0	0	0	0	0	0	1745	0	0	0	0	0	0	0	0	0	9222	1975	0	1691	3232	0	0	0	0	0	0	0	0	0	6012	10811	12092	3445	0	0	0	1069	7101	0	0	19874	A-Sugar	0.84615386	1.4615384	0.07692308
6	C21 H19 O3 N1 S1	366.11584	366.11652	0.002482842	366.11584	0	0	0	0	514	505	0	0	0	0	0	805	667	0	669	1628	0	0	0	0	799	0	0	0	472	0	0	0	0	0	0	0	0	0	799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1042	747	0	0	0	0	0	0	0	0	0	0	1319	0	0	828	0	0	0	0	0	0	0	23917	0	0	0	0	0	0	0	595	0	0	0	0	682	0	0	0	0	0	0	0	0	0	0	0	0	0	0	705	0	0	0	798	0	0	658	Organosulfur	0.14285715	0.9047619	0.04761905
8	C17 H19 O8 N1	366.11835	366.1189	-0.06526229	366.11832	209182	213793	153128	207281	126270	88712	78232	145061	189045	417196	270254	117019	242203	51125	103890	156205	148703	188419	217380	328265	920374	345105	129174	166204	56075	115202	84185	124613	117032	119544	113493	141226	159604	120602	569901	117633	159764	100646	191481	345114	979944	107819	2819	419	676	217320	300418	634	154606	131397	185265	195474	117100	643	242395	127729	85173	148914	135366	184270	169265	259032	288481	225401	82046	178771	111494	171644	250551	224679	358671	138726	135276	112267	98185	135744	316	93982	128107	138645	104770	147898	97694	137826	146119	75039	113138	116369	123449	198196	101294	171344	406714	257370	294094	1434	194152	195482	122529	147802	135043	166792	97263	204263	130852	146689	117615	328	75013	594202	Phytochemical	0.47058824	1.117647	0.05882353
2	C17 H19 O8 N1	366.11835	366.119	-0.12628295	366.1183	7483	7995	5204	7258	12636	0	3569	3703	15104	8906	13488	5581	23941	5362	5281	1560	6027	12080	13156	5771	16236	12791	7033	4919	1161	1860	0	5585	5581	3659	5579	4836	9069	4897	16711	3697	5291	3735	5665	6912	12723	6649	0	0	353	4117	6693	0	4019	2571	6270	6858	9015	0	13738	9738	6182	6037	3553	5979	1194	4823	21389	15196	5113	16820	7834	8041	4963	5375	7464	4487	5841	2701	629	5208	0	3849	5366	5106	5301	3029	2432	2192	10471	5928	5914	7672	6663	12969	4935	6363	12245	8979	2178	0	7036	8149	8553	16131	11349	3819	4603	3601	4295	6161	8383	0	3450	22651	Phytochemical	0.47058824	1.117647	0.05882353
6	C17 H19 O8 N1	366.11835	366.11893	-0.09236467	366.11832	86445	93088	82593	83371	63671	41973	31907	69289	96855	192162	142533	47936	131724	29659	45817	77163	65316	94984	98710	123387	445454	308750	56958	85581	21189	39180	31599	65187	56931	47571	51902	62120	80880	52699	467132	55734	78038	43345	87178	101835	411276	51773	975	286	355	84729	144808	366	68935	54521	87471	90749	57064	592	121086	80531	38623	65834	54394	97677	72886	96385	313040	102774	35494	100596	64191	82706	83223	73076	149471	52003	53141	46917	34311	48583	383	39812	53358	56073	42909	55061	33399	43726	76220	45519	53816	61099	61451	98514	42506	75999	103428	117177	117080	722	81331	80342	52383	73170	76890	71893	45824	86523	73551	70108	59172	333	30902	344278	Phytochemical	0.47058824	1.117647	0.05882353
10	C17 H19 O8 N1	366.11835	366.11887	-0.03798775	366.11832	343931	322987	289940	277895	219726	161097	131747	261096	284530	778060	449002	182562	385452	107491	165349	254421	208931	347403	347057	582218	769488	594663	205042	263384	103962	249220	146672	247309	210037	205423	205093	231446	310623	204023	981570	196310	301089	161047	239454	659608	722031	175982	5523	0	1350	356474	436177	671	232063	219396	322242	327431	186685	1528	399447	209996	119451	260829	255679	262484	268086	435731	398533	345746	120816	282030	189151	260486	460005	443216	594808	227399	200681	189356	190499	198878	752	152737	193860	231293	188254	259777	159501	249982	205547	133400	176588	178883	194756	248645	186608	278209	362242	431579	522069	1805	317944	322279	186476	192406	187771	266109	166804	305648	275849	224294	175631	889	138471	452289	Phytochemical	0.47058824	1.117647	0.05882353
4	C17 H19 O8 N1	366.11835	366.11896	-0.12903652	366.1183	17936	21923	18672	16406	21539	11405	5495	15886	27913	37641	42592	11674	42586	9871	11899	14691	16871	26469	26887	30438	43627	38327	15262	18440	5339	10349	5952	10726	7866	8575	12045	9306	14371	10030	51444	9726	14342	11256	26489	24154	45020	14813	0	275	530	18430	33607	416	13045	12871	18383	17589	16235	513	36212	28434	11693	13717	11825	20241	16047	21662	91644	30591	12222	29168	12837	18726	24896	13741	31309	10371	10617	11157	5875	9678	399	8912	12463	13820	12641	12325	8454	9416	26538	13066	11084	17482	15681	23349	10483	16367	24450	27169	26554	921	18686	20546	21456	34520	30294	15944	11508	17606	17296	14989	20023	393	6879	46297	Phytochemical	0.47058824	1.117647	0.05882353
14	C17 H19 O8 N1	366.11835	366.11884	-0.049834292	366.11832	356224	338643	303204	339931	234308	213392	182536	271820	308163	815119	384275	167140	442110	129198	208379	265892	191757	411009	367598	592115	703887	685579	235052	280005	177577	280495	151297	297680	240969	220641	209321	258508	357913	224424	1079972	241939	327944	185576	194321	744966	561565	212351	7720	1277	1317	400924	405903	1434	249145	200207	313584	297031	234827	1740	404416	210406	144936	290283	333773	230772	335942	491337	408678	329412	124449	323406	207694	203528	424051	515537	465534	228585	214993	213998	186566	223466	776	181106	203324	374265	185714	272637	186309	312766	228721	152819	211753	215869	239376	274261	290618	392720	420690	464651	617895	2017	355775	344542	173941	191090	191833	331099	164303	335312	299981	290036	172473	1234	165548	448198	Phytochemical	0.47058824	1.117647	0.05882353
16	C17 H19 O8 N1	366.11835	366.11877	-0.07772563	366.11832	220402	212103	208003	220292	160789	168921	100855	152225	207299	516469	246949	101797	297823	98190	135970	168788	120381	348179	307809	353064	409525	391963	153199	183563	114439	188555	97490	172267	124949	123998	143985	154949	227226	130652	595689	139208	227819	118482	122989	394982	330112	134612	5973	1436	1829	238030	246543	2335	164022	135621	215474	220394	166254	2048	257586	153644	106375	181168	159029	107053	163704	273981	278774	225010	85118	236174	155817	113457	246520	291892	269061	140057	129663	116671	103328	126091	2117	99665	159719	238359	120856	178488	114648	190025	177941	113191	154874	143025	156600	188144	183163	256149	300899	288522	401243	2780	205895	217769	139677	148134	152726	193427	96620	169531	153541	216582	141249	1720	121156	360002	Phytochemical	0.47058824	1.117647	0.05882353
18	C17 H19 O8 N1	366.11835	366.11874	-0.11980911	366.1183	116624	111176	113284	103259	108944	89626	59126	82625	105294	237963	122600	55871	194521	57427	76324	94029	49823	182750	172403	134501	181888	181747	78793	106799	60391	92209	45773	74512	78240	55266	67863	76393	115428	73612	279388	68987	113444	60834	58926	177422	149611	80587	5306	1481	1797	121264	109449	1400	89852	68686	111993	103521	95981	1747	165403	101212	66740	86807	69155	48857	91761	141914	168102	125161	55926	134509	83170	57612	125612	129407	142467	81672	54347	51803	50534	69100	1318	55930	93490	117689	68495	85021	54107	90244	98456	84273	84883	86443	88431	73962	87654	137476	154604	136022	185682	2072	109797	123186	74301	84002	93510	102762	50351	87503	70461	86690	84692	1773	57470	193756	Phytochemical	0.47058824	1.117647	0.05882353
16	C16 H19 O7 N3	366.12958	366.12997	-0.21278633	366.1295	11734	18736	16279	12439	10287	9824	16054	12389	9349	24163	20108	8530	10984	0	10902	19730	17550	15428	12384	22121	18435	21397	11052	20503	14355	54483	15828	15986	10552	15967	8482	12198	22518	14934	7118	10110	15563	11681	16912	15366	28785	7123	0	0	0	10842	13240	0	10640	7778	11304	17304	14628	0	8980	7301	9141	18978	6422	8778	14660	14546	12718	14656	6090	11508	10471	16448	39601	48749	72515	15128	8870	6506	11361	8805	0	10478	15574	10496	11363	8904	8876	15017	7142	7776	15856	5409	10139	0	13052	21980	0	8683	25993	0	15021	11882	7502	6701	6165	13690	11730	5254	0	0	6848	0	17362	12242	Peptide	0.4375	1.1875	0.1875
0	C13 H23 O7 N3 S1	366.13293	366.1336	-0.34468812	366.1328	0	0	0	0	0	0	0	0	0	0	1299	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19454	1017	0	0	0	932	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	82549	0	0	0	0	0	0	0	0	0	0	39798	12207	0	6863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.53846157	1.7692307	0.23076923
12	C21 H19 O5 N1	366.1336	366.13416	-0.12615658	366.13354	2077	2100	0	2108	1295	1022	0	1192	2410	5486	8703	0	0	1460	0	0	0	1722	2267	11502	11069	4087	1233	0	1301	32137	0	9129	0	1122	0	0	0	0	6729	0	1666	1873	2487	5790	5290	1308	0	0	0	3573	4972	0	1239	1441	3090	2841	1611	0	0	0	0	2082	0	0	0	2649	0	0	781	2196	1455	0	29831	34276	53968	0	0	0	1190	0	0	0	2232	0	1083	0	0	5974	1215	1349	1301	894	0	0	0	0	0	4517	3597	0	4189	0	0	0	946	0	0	0	0	1575	1027	0	1041	0	Phytochemical	0.23809524	0.9047619	0.04761905
20	C21 H19 O5 N1	366.1336	366.13397	-0.11458225	366.13354	6332	3949	3788	6130	2856	2013	1635	1747	3278	14165	30560	1528	0	2790	1700	3160	2026	5711	3098	8630	17098	10605	1819	3629	2418	65219	1653	24299	2182	0	2619	1998	2042	2721	10600	1377	2162	0	4544	16774	32694	2043	0	0	0	10410	15424	0	2421	2158	7250	5826	2559	0	1941	1263	2546	2665	1329	5127	2440	10675	1631	2833	1739	3343	2155	2852	56781	46813	85692	1660	0	0	2396	2247	0	1590	2139	19314	1945	8366	3317	22045	4210	1759	8586	6048	3674	9707	6736	3742	4545	14189	9729	0	4994	6776	3259	2424	2088	3283	1881	4642	7761	4074	2654	0	0	4274	Phytochemical	0.23809524	0.9047619	0.04761905
18	C21 H19 O5 N1	366.1336	366.13403	-0.105004765	366.13358	20855	16397	9892	21772	7401	5046	6885	9552	9632	22932	45822	7333	5110	8308	6555	15882	11311	18646	4424	29593	40846	22639	13469	14391	9568	124976	11999	60614	0	9854	10381	3006	17814	0	26184	0	15614	7625	22312	36241	64543	5384	0	0	0	18170	26467	0	13820	7521	25290	10472	12152	0	5988	6192	4558	8787	4257	13972	11319	18810	6386	8438	6819	3662	14112	14061	101246	89706	190484	11283	6244	4190	10522	0	0	2838	15273	31178	5178	12272	10944	23366	13574	2780	16185	14348	11931	24247	14034	19008	27742	24963	17781	0	9840	24184	7651	0	4910	13988	10167	7302	10530	18425	6860	0	13132	11286	Phytochemical	0.23809524	0.9047619	0.04761905
16	C14 H23 O10 N1	366.13947	366.13992	-0.05615796	366.13947	63900	48460	49952	56729	38368	62252	52470	19114	54499	81937	23118	39951	31496	15046	1946	74281	30418	85851	27977	35646	43580	87448	59669	65169	52993	38632	55683	16258	25585	17012	18248	22430	86292	26884	100775	23433	79892	44925	2481	120026	78005	20561	460	1082	593	64108	33646	631	71543	47522	59165	57649	50483	392	24247	13238	34020	62284	44320	23846	28266	57076	25995	26998	13458	49626	53344	58279	31627	45789	58085	25939	36055	16194	0	23997	382	18264	22060	26358	37076	28560	50441	35644	18693	15996	69485	44501	48073	68820	43164	136213	83626	36074	83836	450	29408	52661	22330	17622	20235	82853	32474	30110	17370	36244	24994	1046	60106	29132	A-Sugar	0.71428573	1.6428572	0.071428575
8	C14 H23 O10 N1	366.13947	366.13998	-0.31951082	366.13934	125771	130616	0	122139	72043	65584	67113	8916	80675	158751	99241	83266	106608	33470	92115	110391	115178	107748	118771	164424	197598	185592	102307	143865	62961	42795	89144	64683	105648	6417	0	8089	114393	98768	207099	90423	137319	62886	122779	180141	197481	63329	0	0	0	131769	181050	0	128770	98219	6490	126447	66792	0	94473	67404	8393	89259	0	100263	108234	109869	92749	86147	42757	88887	71217	9346	75954	109704	137625	116331	91827	78309	80952	99414	0	89665	95229	78849	177194	85470	79599	81129	73047	39903	95876	78830	89209	120048	71874	123897	162467	112896	158955	0	128554	120496	58512	76505	70159	8764	80328	168312	66504	101754	55807	0	75642	126224	A-Sugar	0.71428573	1.6428572	0.071428575
14	C14 H23 O10 N1	366.13947	366.13995	-0.0534848	366.13947	114828	125460	131804	98304	77862	91536	0	65414	97592	133568	70268	35148	114320	57712	55764	127192	0	84029	150268	52454	138201	190784	55227	161576	103412	54644	109260	32836	51742	85944	120625	56354	165032	115277	133254	108059	154200	89212	92528	152063	113784	90863	0	453	453	92064	43864	0	61361	87016	58512	102464	112959	320	68367	28768	61387	141672	50046	31510	0	120172	98131	44339	56877	100401	90932	93517	0	105856	97696	106458	85896	41546	84632	4129	262	44260	117284	33116	98924	77026	84056	72248	36754	39456	125418	39574	93292	70546	151108	134488	246916	114276	104216	0	134336	45080	66897	63083	71477	150620	74536	137176	0	144040	64271	416	98788	135708	A-Sugar	0.71428573	1.6428572	0.071428575
0	C14 H23 O10 N1	366.13947	366.14005	-0.25630865	366.13937	4960	3108	5589	6369	3438	60396	0	9491	1708	0	0	2462	3841	4864	3702	0	0	8340	3050	0	0	1916	6058	5863	0	0	0	0	13054	2080	5745	9290	7389	83460	0	12776	4480	2326	1676	0	0	0	0	0	0	0	0	0	8684	0	4973	3732	2621	0	1841	1014	0	4300	0	0	2951	0	0	2343	0	10204	6140	3851	0	0	0	49208	31191	6028	0	4450	0	2682	0	0	0	0	0	0	1137	0	0	19315	5972	0	5216	1837	0	0	0	0	5142	4415	0	0	0	2494	0	0	0	4105	0	0	0	5596	A-Sugar	0.71428573	1.6428572	0.071428575
6	C14 H23 O10 N1	366.13947	366.13992	-0.29522273	366.13937	68355	71415	69837	72054	37128	43815	4107	62279	48574	91320	58968	56449	65591	19652	50617	76412	65419	56540	67772	93762	107787	109512	7172	7708	35528	28884	38676	37857	60392	50794	62278	66668	89486	66224	122460	56832	80390	54272	80963	82110	122541	7243	0	0	0	69645	107679	0	77080	65135	6080	73934	47922	0	14074	43112	32662	68351	0	64803	67329	0	65627	56118	31889	58317	8671	97991	35925	50238	97584	63798	58556	7762	39901	46206	0	40236	46727	42963	43639	51769	42942	37722	49436	34656	50586	51651	48606	105699	56403	94719	115018	64590	93711	0	61991	62755	30028	43495	45856	81674	39202	72594	54930	74187	40529	0	41425	69792	A-Sugar	0.71428573	1.6428572	0.071428575
10	C14 H23 O10 N1	366.13947	366.13998	-0.15660888	366.1394	324904	167067	123708	120795	81874	95242	90138	178632	91008	174591	189906	125634	133446	42526	130306	329531	7133	134114	141441	309102	194286	190512	143795	197343	113834	114294	205566	71835	274626	141282	269891	129039	199988	122784	199521	144174	185796	129429	301609	205860	186324	178115	0	0	0	167853	314916	0	165588	142283	138089	152739	83092	0	142447	16512	110381	176075	143103	223410	184023	281364	17348	99250	67445	114829	176208	154062	86931	142693	109281	166074	133657	238892	215228	129539	0	107685	327192	68544	151960	99135	207888	84303	79568	133988	169028	88227	107555	176871	227964	146892	249441	132627	196323	0	288694	157312	68428	83580	93344	164140	137358	164988	0	161541	152254	0	144368	160915	A-Sugar	0.71428573	1.6428572	0.071428575
2	C14 H23 O10 N1	366.13947	366.14005	-0.20067516	366.1394	10808	9078	6082	8697	6667	51541	4248	13715	5121	0	0	6201	15763	8478	5755	1895	6953	17048	8761	0	1901	7525	4764	8007	2363	0	0	2090	17144	7369	12964	15078	17667	43443	2454	12375	13728	4363	8605	1438	1889	6932	801	0	0	1834	1118	0	14121	7051	6939	11914	5150	0	5941	3331	2698	11885	869	1909	4403	655	7468	4627	0	19619	9417	8624	0	0	0	45799	29874	10684	637	12114	0	5479	6605	0	3741	0	898	559	3901	3460	5556	19933	9772	15157	12101	4459	8506	1061	0	0	7799	10438	3715	3221	5228	8539	6237	1606	781	9900	3222	0	3492	12147	A-Sugar	0.71428573	1.6428572	0.071428575
6	C18 H23 O7 N1	366.15472	366.1553	-0.15073386	366.15466	251282	273694	232250	117244	68557	56630	120634	259110	181762	500486	117219	140652	121032	34653	170636	133993	91736	104345	252850	439652	571878	399418	169846	274272	104048	81736	66999	84364	198774	103912	221540	113732	290876	189996	662330	215090	247050	170750	259318	297228	195789	123956	1265	727	963	319970	334096	403	146388	203734	134762	246770	139628	1153	241474	58154	90196	250698	190320	118678	264970	116785	233518	86099	38626	99654	156912	268472	103041	143735	192007	200378	214474	191006	64231	202512	758	147008	153370	69226	68666	185902	160024	78816	71814	51756	162718	127448	153154	252480	188842	295958	326254	250216	339414	1004	128129	246492	49109	61803	67878	259974	146558	325396	118836	205848	60613	600	111768	157869	Phytochemical	0.3888889	1.2777778	0.055555556
18	C18 H23 O7 N1	366.15472	366.15512	-0.08272642	366.1547	292594	282976	275529	273094	205343	194602	160287	288597	184448	632791	325986	141713	321526	131327	187301	256539	164709	322731	329470	646038	590735	392952	206613	321102	196038	477128	122361	305763	253766	216045	214392	237893	303544	253319	622832	257133	309377	157460	187083	512069	360393	180228	10122	1705	2676	315642	249564	2528	247814	215470	291218	292062	198495	3463	255763	174783	126962	263999	215094	163984	262296	353391	256993	190330	102977	263591	194910	163408	443952	593744	523712	242922	203023	223288	169320	211090	2268	170611	198909	225610	168929	207762	191556	281079	209756	146050	188313	181336	197745	186877	297704	374461	387021	253264	433292	3718	280874	285218	159566	165426	179913	279454	135854	300513	168649	236079	162670	2589	167208	276147	Phytochemical	0.3888889	1.2777778	0.055555556
0	C14 H27 O6 N3 S1	366.16934	366.16946	-0.5410481	366.16913	0	1724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30072	0	0	0	0	0	0	0	0	0	0	782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	162336	0	0	0	0	0	0	0	0	0	0	15253	5473	0	9353	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.9285715	0.21428572
2	C14 H27 O6 N3 S1	366.16934	366.16992	-0.17066303	366.16928	2085	1918	1490	1305	0	0	0	0	0	488	0	0	1177	0	445	286	0	0	0	0	0	0	0	0	0	0	0	21518	0	0	502	0	1077	0	361	448	0	299	443	0	0	0	0	0	0	0	0	0	0	0	0	2656	0	0	633	0	0	0	0	0	0	0	0	0	0	541	0	478	0	0	0	0	0	0	0	0	0	0	0	312390	0	0	0	0	0	0	0	0	0	0	63772	22988	0	13129	0	0	2417	1302	0	0	0	656	0	0	0	0	0	0	378	962	Peptide	0.42857143	1.9285715	0.21428572
12	C22 H23 O4 N1	366.16998	366.17035	-0.3471807	366.16986	0	2886	2690	0	0	0	0	0	0	7454	9131	0	0	1220	1057	1602	0	0	0	9119	8342	0	0	3130	0	23228	0	8982	0	0	1104	1722	0	0	2020	1804	0	0	0	2860	0	1237	0	0	0	3676	4154	0	1404	1811	1559	1640	1026	0	0	0	736	0	0	0	0	0	0	0	0	0	900	0	0	22126	22492	1390	1206	0	1841	1380	0	0	0	0	0	0	0	2013	0	0	1444	0	0	0	0	0	0	3019	4847	0	2330	0	0	0	0	2517	0	0	0	0	0	0	0	0	Phytochemical	0.18181819	1.0454545	0.045454547
20	C22 H23 O4 N1	366.16998	366.17032	-0.16472094	366.16992	3759	5817	8130	6178	2604	1459	1464	0	0	8431	14823	1645	0	0	1892	5538	2987	0	0	9566	8669	2579	2054	3646	6062	36650	2451	20280	3121	2325	1697	3425	2412	2392	4882	1765	2659	1618	2859	9634	22950	3081	0	0	0	3654	6591	0	2753	3419	3844	4181	2118	0	0	1535	976	3059	0	5383	2700	4310	0	0	1612	1573	2385	3472	31990	23320	56173	1447	1442	0	1722	0	0	1199	1747	8979	1221	2145	1284	7686	2050	3277	3929	2635	2244	14408	5643	2959	5554	7686	5842	0	4123	2619	1437	0	1551	2576	1396	3944	2058	3511	0	0	3874	0	Phytochemical	0.18181819	1.0454545	0.045454547
22	C22 H23 O4 N1	366.16998	366.17032	-0.16922139	366.16992	4380	4284	3154	4428	2180	0	1456	2353	1422	8849	16044	3823	2246	0	2385	5631	4472	0	3101	7289	5934	7537	1771	4648	4078	39054	2711	15889	3290	3925	2358	0	1687	2545	1705	3575	3156	0	3881	9641	20238	2099	0	0	0	5869	14774	0	5513	2988	5101	4354	2398	0	0	0	1343	2707	2157	3399	4403	8406	0	0	2502	2371	4538	4414	34332	24148	41834	3185	2629	1665	1838	4137	0	1821	4929	12779	2605	4502	2456	12099	0	2108	5413	3721	3878	21571	2704	6880	9482	8058	3984	0	5743	5127	1972	0	2357	5209	1646	4830	3815	5800	1717	0	3818	0	Phytochemical	0.18181819	1.0454545	0.045454547
16	C22 H23 O4 N1	366.16998	366.17035	-0.24595667	366.1699	0	2981	0	0	0	0	0	1818	0	2759	7139	0	0	1383	1411	2159	1679	0	3197	8868	5829	0	0	2319	0	27967	1158	7340	0	1810	0	0	0	0	2813	0	2089	0	1961	5443	5456	0	0	0	0	4371	3557	0	1525	1993	2291	3658	1620	0	0	0	0	2557	0	0	0	2931	0	0	0	0	1160	0	19004	23259	28158	1442	0	1318	0	1240	0	1520	0	0	0	1278	0	3449	0	0	1474	0	0	0	0	0	0	2688	2482	0	2278	2082	0	0	0	1642	0	0	0	0	0	0	1351	0	Phytochemical	0.18181819	1.0454545	0.045454547
16	C15 H27 O9 N1	366.17587	366.17642	-0.14073718	366.1758	0	13461	1965	9854	5979	8721	9935	31546	4325	10302	5860	5670	6008	4767	13147	26412	2913	0	12337	15991	0	16204	12875	33608	27713	9249	13216	7025	11605	27684	31778	13074	36980	23886	35220	14402	40854	14591	10116	12830	11508	5784	0	0	0	26181	8498	0	44876	14279	9384	10159	14744	449	10366	6149	6866	33535	0	6282	0	8920	9916	2216	4257	11633	10413	11612	5439	12713	14913	0	29644	32433	13388	9495	0	20912	3036	4356	8498	8807	20361	8996	3055	0	8083	15153	10616	0	23586	42742	0	7843	11248	0	7878	10755	5990	6153	3325	14888	7150	17354	0	0	5724	0	15529	12325	Lipid	0.6	1.8	0.06666667
26	C19 H27 O6 N1	366.1911	366.19144	-0.19115219	366.19104	8054	7392	7382	8596	11757	5751	2688	7470	6418	8041	7937	6410	19259	10074	7835	10036	5494	10056	14707	10523	13686	8948	7195	12799	0	10732	2533	6410	7535	5928	4252	6104	8382	7931	8747	10102	8165	4115	9653	7694	9489	7773	0	0	0	0	7886	0	7156	0	8775	9980	5990	0	10162	0	3774	11558	4733	5223	11415	2950	13933	8357	2742	13764	6530	7317	12259	15350	24679	8345	6304	8687	10108	6767	0	5216	6139	0	6312	4792	4773	3942	7208	0	8343	7713	7956	9349	12834	7469	10676	4536	10068	0	8920	8802	5722	7874	9485	8804	5172	7208	0	8526	0	0	5205	12684	Lipid	0.31578946	1.4210526	0.05263158
14	C18 H27 O5 N3	366.20236	366.20264	-0.33715677	366.2022	6681	3723	5816	5754	3316	2542	5298	6180	1655	3148	0	1962	0	0	4762	8431	7945	2923	1816	3559	3173	6255	4220	11044	6552	0	4289	0	7130	6915	4706	0	13048	5496	2933	9940	6712	3515	10240	3482	0	4250	0	0	0	2784	0	0	8278	6038	6398	2887	2315	0	2558	0	2371	10356	0	0	0	1594	3442	0	1061	2674	4475	7616	0	2603	0	6541	5865	4167	6411	5603	0	4072	5240	34591	6537	1825	3089	1826	1082	0	6379	2280	2802	12735	78498	21973	18307	8215	5573	0	7130	7573	1010	2530	0	8442	5307	7534	0	8401	1371	0	5554	1465	Peptide	0.2777778	1.5	0.16666667
2	C16 H31 O8 N1	366.21225	366.2129	-0.16408224	366.2122	23340	26782	21210	19773	85286	39366	52976	5507	5256	2295	1811	14116	37874	203182	1897	4911	18098	24798	16009	1521	1630	5822	0	4692	3961	0	110554	4449	9135	8411	6281	15040	109255	27659	1717	10802	90448	1188	16627	714	0	67584	186	0	0	0	0	0	15678	5299	22221	21412	96898	0	5146	12547	55001	4830	449	0	5140	0	2147	6918	158798	119857	84780	29423	0	0	2071	20179	11649	6348	12668	5684	0	13228	1445	42083	1054	3957	0	0	3617	27597	1326	55766	29738	2561	16046	0	3535	23473	44532	0	23416	22496	5541	2908	5026	323935	11158	1481	2560	3540	33447	0	1156	10121	Lipid	0.5	1.9375	0.0625
0	C16 H31 O8 N1	366.21225	366.21292	-0.26258025	366.21216	9900	11823	11117	11784	4570	8540	46231	5981	3822	1042	1281	22030	10915	0	4175	0	21127	17657	14487	1661	1754	3502	4162	3801	3617	0	1815	2074	15058	2811	8106	8755	147021	59817	1960	8922	73494	5790	21217	0	0	14626	0	0	0	1815	0	0	9662	3127	13583	13301	45811	0	1647	972	16036	4354	0	0	2957	0	0	2632	207863	53376	20984	40216	0	0	1999	50014	26031	6199	0	5618	0	17872	3675	7992	10448	7310	0	0	2358	29022	3489	53188	43554	2661	12609	2579	2985	2478	1747	0	9503	13615	1554	681	2705	8333	12617	0	5571	5357	2189	0	4816	15368	Lipid	0.5	1.9375	0.0625
20	C25 H28 N1 Na1	366.2192	366.2195	0.36062884	366.21936	0	0	4898	1715	0	0	0	2418	0	0	0	1252	0	0	0	0	1244	0	0	0	0	0	0	0	0	0	0	0	2550	0	3828	11308	17034	15012	0	5313	3450	0	0	0	0	0	0	0	0	0	0	0	1784	3639	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1295	1181	0	0	2867	3359	0	2174	1986	0	2803	0	0	0	0	0	0	0	0	0	0	0	0	86778	69968	0	0	0	0	0	0	0	0	0	13486	1335	0	0	0	0	0	0	0	Phytochemical	0.0	1.12	0.04
26	C22 H32 O2 N1 Na1	366.24036	366.24078	0.20403603	366.24042	0	0	0	0	2531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26469	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12443	0	0	0	0	0	0	0	15917	0	8489	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10990	34061	0	19340	5091	0	0	1656	0	0	0	0	0	0	0	0	17720	0	0	0	0	0	32106	0	0	0	Lipid	0.09090909	1.4545455	0.045454547
16	C24 H31 O2 N1	366.24277	366.2433	-0.3888647	366.2426	0	0	0	0	0	0	0	2930	0	0	0	0	0	0	0	51214	0	0	0	0	0	0	0	8328	4870	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14225	0	0	34588	0	0	0	0	0	0	0	0	0	0	1752	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16161	0	0	0	0	Phytochemical	0.083333336	1.2916666	0.041666668
0	C17 H35 O7 N1	366.24863	366.24905	-0.38282987	366.24847	0	0	0	0	0	0	0	0	0	0	0	0	0	6512	0	0	0	0	0	0	2211	0	0	0	0	0	0	1151	0	0	0	0	2020	0	0	0	0	0	0	0	0	0	0	0	0	1626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33046	0	7132	0	0	0	3200	9962	0	0	0	0	0	0	0	0	0	883	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	364	0	0	0	0	0	0	0	0	0	0	22617	Lipid	0.4117647	2.0588236	0.05882353
24	C17 H35 O7 N1	366.24863	366.24905	-0.18032692	366.24857	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1895	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4842	0	0	5910	0	0	2407	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61635	0	0	0	0	0	Lipid	0.4117647	2.0588236	0.05882353
10	C21 H35 O4 N1	366.2639	366.26428	-0.20869823	366.2638	6791	5992	4292	3891	0	0	10268	23101	0	2523	2830	11572	0	0	11501	14669	2563	0	0	4705	1206	2037	2823	4842	12728	0	21080	0	12307	16689	17880	13735	15863	8768	4107	11382	13142	9614	3906	0	0	2561	0	0	0	0	0	0	17380	15890	6033	5761	906	0	0	0	1781	19706	0	0	12041	0	0	0	0	0	2435	5126	0	1635	1548	11224	8570	11175	8692	9644	0	10669	3259	0	1119	0	0	0	0	0	10404	1448	2014	13898	16160	0	15218	2378	3102	0	7201	6212	0	0	0	11769	12598	5563	0	8433	0	0	6313	0	Lipid	0.1904762	1.6666666	0.04761905
20	C21 H35 O4 N1	366.2639	366.26413	-0.19083971	366.26382	0	0	1561	0	0	0	1472	0	0	0	2950	2705	0	0	1538	0	2403	0	0	0	0	1541	0	0	0	1384	1270	0	0	3237	1544	4032	3870	2087	1792	1447	0	1794	6225	0	0	0	0	0	0	0	1850	0	0	1999	0	0	0	0	0	0	1343	4135	0	2035	0	0	0	0	0	0	2110	3451	0	0	0	1327	2023	3284	7175	1877	0	1523	1675	2555	0	0	0	0	0	0	6137	0	0	20205	6251	0	2124	0	0	0	1842	0	0	1191	1365	3966	1160	0	0	2193	0	0	1641	0	Lipid	0.1904762	1.6666666	0.04761905
8	C21 H35 O4 N1	366.2639	366.26434	-0.22784747	366.2638	2533	2396	2798	3346	0	21397	10170	6644	0	965	0	3835	0	0	1679	4002	2719	0	0	2381	980	1297	2286	2867	5390	472	15734	2244	4118	5437	4215	6905	4848	3602	1924	5897	4914	3740	2699	0	0	1170	0	0	0	0	0	0	5988	5802	2774	1548	0	0	0	0	0	7012	0	0	5840	945	0	0	0	0	694	3455	0	0	1896	6831	5499	7567	4964	6240	0	4516	2628	2860	717	0	0	0	0	0	5901	846	886	12830	0	0	9617	1800	2906	0	2990	1816	0	0	0	4109	3763	0	0	3381	0	0	3012	0	Lipid	0.1904762	1.6666666	0.04761905
18	C21 H35 O4 N1	366.2639	366.26404	-0.13838424	366.26382	0	1733	0	0	0	0	0	1704	0	0	0	0	0	0	0	10950	0	0	0	0	0	0	0	0	1930	0	1509	0	0	0	0	29459	3984	0	0	2187	0	0	2547	0	0	0	1352	0	0	0	0	0	1589	0	0	0	0	0	0	0	0	2634	0	0	2431	0	0	0	0	0	0	1913	0	0	0	0	1540	0	2559	0	0	0	0	0	0	0	0	0	0	0	2736	0	1289	9884	4641	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1904762	1.6666666	0.04761905
22	C21 H35 O4 N1	366.2639	366.26422	-0.14219323	366.26382	7890	4751	4427	4454	5506	2240	8799	3730	1589	4176	4973	4671	4692	0	0	9619	14033	4000	0	4791	3420	4535	1787	6552	9391	11360	9414	4952	6858	5677	5316	5891	8403	8191	2781	6158	5244	2045	12674	1470	9394	4289	0	0	0	1689	5995	0	8215	4873	4480	4498	0	0	3206	0	2544	13323	1526	11419	8717	3422	0	1146	1594	3810	5768	13203	7317	5188	9661	4823	4855	4926	10847	5805	0	0	4599	7849	1410	1444	2912	3660	2399	4864	9538	3245	2424	23096	12310	7719	10520	3851	3492	0	5096	4166	3882	1852	3837	8656	3323	9854	2671	6320	3725	0	6156	2997	Lipid	0.1904762	1.6666666	0.04761905
12	C21 H35 O4 N1	366.2639	366.26422	-0.18346606	366.26382	1491	3818	3038	2527	0	1663	6370	14737	0	2474	0	6041	0	1363	3720	8499	3005	0	0	2178	3891	0	1417	0	7895	1660	5255	0	9859	9153	12082	7461	8222	5948	2672	7863	5462	4531	2793	1481	0	2453	0	0	0	0	0	0	11466	9668	3620	3191	849	0	0	0	0	8942	0	0	0	0	0	0	0	0	1024	0	0	1297	0	9501	6655	12714	3757	6861	0	6575	2647	0	0	0	0	1599	0	1066	7554	1024	2144	20144	11595	0	9741	0	1249	0	4399	4709	0	0	0	5231	5484	0	0	16741	0	0	3674	0	Lipid	0.1904762	1.6666666	0.04761905
18	C25 H35 O1 N1	366.27914	366.27936	-0.08121277	366.2791	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35092	0	0	0	52698	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1845	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46828	0	0	0	0	0	0	0	0	Lipid	0.04	1.4	0.04
26	C18 H39 O6 N1	366.285	366.2853	-0.05976026	366.285	0	0	0	0	14588	3872	0	0	0	0	0	0	4262	5731	0	0	0	0	0	0	0	0	0	0	0	0	0	1985	0	0	0	0	0	0	0	0	0	0	0	0	0	35985	0	0	0	0	0	0	0	0	0	0	3996	0	0	0	0	0	0	0	0	0	7269	0	6257	4732	4384	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13458	0	27798	6186	0	0	0	0	0	0	0	0	0	3710	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	2.1666667	0.055555556
16	C22 H39 O3 N1	366.30026	366.30038	-0.048472326	366.30026	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1710	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1409	0	0	0	0	0	0	1147	0	0	0	0	0	7101	0	0	32009	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13636364	1.7727273	0.045454547
22	C22 H39 O3 N1	366.30026	366.30026	-0.04332595	366.30026	0	0	0	0	0	0	1869	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1339	0	0	0	0	0	0	0	0	0	3724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2635	0	0	0	0	0	0	0	18437	0	0	43157	0	0	1618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1486	0	Lipid	0.13636364	1.7727273	0.045454547
18	C16 H14 O8 S1	367.04822	367.04868	-0.011437954	367.04822	5910	3211	5399	3529	7163	6385	0	0	7336	10602	5071	0	19039	3191	0	0	0	16361	5802	5801	4206	18530	1677	1791	1873	5868	0	4612	0	0	0	0	1988	0	14897	0	0	0	0	8782	5828	1365	0	0	0	0	3241	0	0	0	4327	4598	6492	0	7348	7733	2804	1985	3100	0	0	7490	6782	5040	2328	7874	4215	0	8150	6628	6534	0	0	0	0	0	0	0	3533	12386	1726	1969	1604	6148	6898	2850	2900	3509	2888	2307	5051	11368	2243	16599	27971	0	1951	6323	6209	8048	3905	0	0	2366	1770	1962	5025	0	1415	9418	Organosulfur	0.5	0.875	0.0
16	C16 H14 O8 S1	367.04822	367.04874	0.002734286	367.04822	6871	6654	4053	3788	5977	5195	1115	1564	8318	20207	8552	1122	18582	3514	0	0	0	7090	10285	7617	7027	26407	2340	2283	0	7511	0	4205	0	0	0	0	0	0	17934	0	0	0	0	9882	8664	2189	0	0	0	2350	1918	0	0	0	5854	5189	6259	0	4366	4552	1971	0	1566	1921	0	9562	5045	8477	2884	7317	2609	0	14792	6758	12440	0	1255	0	0	0	0	0	0	19547	0	3576	1783	4242	7263	2974	3309	1953	5024	0	5351	9520	0	30436	36465	0	7445	6168	4531	9225	5433	1750	0	0	0	0	4815	0	1591	13946	Organosulfur	0.5	0.875	0.0
12	C16 H14 O8 S1	367.04822	367.04883	-0.021059398	367.04822	2939	4123	3160	1776	2798	1915	0	0	2580	11538	6900	0	5957	0	0	0	0	3351	2730	3555	4963	9827	0	0	0	4214	0	0	0	0	0	0	0	0	14221	0	0	0	0	3360	5954	917	0	0	0	1720	0	0	0	0	3071	0	1543	0	1644	1873	0	0	0	0	0	4932	3537	2637	1158	3862	1282	0	0	6380	14301	0	0	0	0	0	0	0	0	0	0	1918	0	3005	2613	918	0	1079	1224	0	0	2451	0	19055	22962	0	3434	2236	3617	3536	2903	0	0	0	0	0	3259	0	0	2890	Organosulfur	0.5	0.875	0.0
14	C16 H14 O8 S1	367.04822	367.04874	0.04342034	367.04822	7472	4136	2295	3024	6476	3778	0	0	6216	16439	10615	0	12080	0	0	0	0	9719	6713	4130	6952	19854	0	0	0	7943	0	0	0	0	0	0	2268	0	18376	0	1554	0	1542	9107	12449	1430	0	0	0	1970	4815	0	0	0	3501	2618	5416	0	7430	6960	1962	0	0	0	0	7718	4911	3959	1328	7543	2198	0	0	9242	19323	0	0	0	0	0	0	0	1436	21100	0	3225	1535	8049	5012	0	1548	0	3475	0	3860	4500	2592	27908	29646	0	5940	4552	4926	6491	6940	0	0	3098	0	0	4972	0	1201	7840	Organosulfur	0.5	0.875	0.0
10	C16 H14 O10	367.06598	367.06647	-0.06432764	367.06595	42998	42706	36060	36088	92231	43219	11593	12975	119455	45937	52085	21153	177501	33200	16844	15281	14956	95256	102180	29153	55659	64073	39017	14210	3864	2277	11594	13970	5562	5609	9655	9383	26002	9054	66558	5632	19751	20428	19848	19336	44829	35245	1638	0	0	11915	29585	627	7386	10608	47715	43328	54914	0	116219	107628	47811	15383	12841	17316	17255	21792	195640	139133	36730	119335	43636	22276	26447	6863	19535	9894	6940	5458	14700	8371	0	16829	39711	32113	30825	14785	4207	4500	128528	35897	25527	47465	39896	24604	5950	11077	20530	80083	48286	0	41911	36860	87967	157456	127392	25673	18125	11787	20845	18785	79529	0	8913	186455	Phytochemical	0.625	0.875	0.0
20	C16 H14 O10	367.06598	367.0664	0.03867115	367.06598	20670	20730	17754	23610	62924	40560	3854	3346	69636	5144	3210	11754	113528	40330	16622	3762	4995	81248	52514	0	13194	17234	18600	7832	5594	0	6114	5258	2894	0	0	3216	12810	0	0	0	10840	10126	0	9092	12512	12998	2460	0	1610	10942	10638	3076	5122	2672	21098	19932	33508	1560	71300	61240	21150	6114	5578	6072	5612	9564	96800	60328	18130	81006	21278	0	0	11158	7622	3382	6294	0	3008	3526	1746	13012	34600	16852	21404	14495	2340	0	70660	34458	14616	15528	16070	8466	0	11146	6746	23412	20414	0	22798	28276	38076	68554	59246	6794	9836	7366	11966	11162	38030	2482	4320	125992	Phytochemical	0.625	0.875	0.0
12	C16 H14 O10	367.06598	367.0665	-0.048587617	367.06595	71927	60351	62769	51283	126640	65740	13815	12771	150125	53762	63488	26158	217312	38061	19830	18209	25143	135394	129633	38650	59074	103084	42047	22250	5424	2759	12726	14684	9886	11692	14835	14759	34022	13945	76432	11663	24496	27955	26478	26186	73173	50806	1777	0	354	20844	56981	669	14471	11843	57232	56156	84383	257	151615	120358	57668	26478	13802	25233	20929	34637	297674	159375	46031	148988	51814	22243	33911	9906	27633	9363	13322	4162	22662	11721	273	21155	46947	31918	36313	19563	6207	3629	134272	52023	43674	50418	50882	32841	13083	28374	28260	106274	53483	610	61164	57703	120772	162484	133890	32848	25841	9463	37495	23623	106353	0	10031	270412	Phytochemical	0.625	0.875	0.0
8	C16 H14 O10	367.06598	367.06653	-0.066375196	367.06595	20635	28535	19945	24002	57107	19870	4947	4832	63169	24436	27046	9898	97533	14803	8093	7429	8595	47306	57091	14879	27028	37662	14414	8697	1002	0	4444	6009	3639	5305	5783	5513	11802	3652	30466	4195	11265	9871	11304	11264	23500	23476	0	0	0	7656	14112	0	6185	3576	23583	25246	31296	0	62419	65981	26027	7886	5148	11413	5246	11639	117597	74762	22383	69122	19512	13636	5652	3360	15584	4573	4115	1566	6438	4555	0	7332	19795	12634	14518	4924	2043	2018	68337	18424	14565	27445	24543	15244	0	6116	10041	46791	30382	0	23856	24145	61936	105680	83732	14645	8845	7054	0	11934	52226	0	4042	105067	Phytochemical	0.625	0.875	0.0
6	C16 H14 O10	367.06598	367.0666	-0.06742746	367.06595	7279	7857	5558	8490	19041	5805	886	1556	23036	7128	5295	3039	33427	4153	2068	3088	2448	15967	19239	4195	6579	8130	6419	3213	0	1007	0	0	1351	1046	1301	963	2758	1221	8300	1556	2600	3101	3258	2795	4910	7445	0	0	0	2628	2614	0	1649	1871	7384	6622	10563	0	18703	25741	8188	0	2215	2593	2172	1314	47149	27338	9442	25915	8769	3596	2364	0	2730	1790	1053	1915	1911	1016	0	1899	6802	0	4643	895	520	0	22747	5976	4310	9407	8059	5270	0	1332	2068	9253	5989	0	6615	7086	15774	41970	36398	3075	1840	0	0	2787	18365	0	1648	39465	Phytochemical	0.625	0.875	0.0
18	C16 H14 O10	367.06598	367.0664	-0.040688477	367.06595	36170	40778	39110	37828	119852	92184	10305	12908	120838	19416	21130	18846	261704	76890	35932	15190	14648	182402	132662	18164	24312	55922	42212	13074	7476	3470	10462	5698	13086	4492	9550	11072	32848	9326	36366	5846	23874	25434	9466	14138	22196	42736	4812	1156	1806	16580	26424	3426	16550	5038	46298	43836	76480	972	123932	102276	52196	18878	14676	8702	11988	21262	262612	155690	48098	166114	54894	13850	13498	4330	11960	9434	12888	2638	7810	10418	1852	13446	44098	29484	40928	19030	3188	4028	128414	60784	46250	46584	47754	12256	10530	28908	18584	55238	36523	1386	49602	41760	77410	132648	134702	19184	19798	9862	15234	16154	75988	1530	12706	240926	Phytochemical	0.625	0.875	0.0
14	C16 H14 O10	367.06598	367.06647	-0.05822347	367.06595	57083	62125	55128	51272	141236	73332	14611	15937	153015	49172	43705	28279	261576	62204	27987	22421	19458	163873	137997	24146	44213	82439	47960	16652	5814	3111	13912	11861	8166	10326	17677	12892	34821	14005	68212	8991	32614	32252	17149	25817	47005	52795	2791	330	413	19283	49889	1312	11746	10265	55852	46077	81740	489	170413	122700	53645	22934	24760	21436	22740	33330	262566	190150	45773	181541	63010	17887	17513	6264	25959	8971	10374	6698	11238	10514	485	24362	50894	43487	45446	25776	7642	4330	146022	50780	52536	54474	57408	25038	12278	25928	33856	80679	46818	537	50786	66016	103499	170426	136670	29413	25167	13647	35101	28042	87115	0	12665	247752	Phytochemical	0.625	0.875	0.0
22	C16 H14 O10	367.06598	367.06647	0.078213565	367.066	4325	5863	4315	4543	21211	8908	3366	0	19476	2816	3284	0	22436	10510	6200	0	0	25359	10956	0	2347	9150	4522	1949	1298	3902	1513	0	2579	0	1232	0	2498	0	2269	0	0	2355	1332	0	2978	2331	0	0	889	3146	7059	0	0	0	5732	3040	11179	461	23547	16919	6273	0	0	0	2233	2358	31426	20535	6187	20844	3883	1486	1733	2287	4485	0	0	0	1349	0	1176	1935	9524	4719	4910	2838	0	1779	22686	11781	4978	3534	6260	3479	2628	4106	0	6724	6417	0	5042	2993	11142	19485	15481	0	1427	1918	3493	1484	6199	0	2036	37686	Phytochemical	0.625	0.875	0.0
24	C16 H14 O10	367.06598	367.0665	0.17447726	367.06604	2828	2715	3246	2530	11422	7408	0	0	11293	1448	1149	1385	24660	6891	1890	0	0	13255	10883	0	0	5255	2302	1719	0	0	0	1275	0	0	0	0	1049	0	2757	0	0	0	0	1058	3051	1855	0	0	0	1688	2288	0	0	0	3991	2850	4877	0	16162	8594	3950	0	1451	1042	0	1602	20775	9768	2183	10668	2227	0	1869	1416	0	0	0	0	0	0	0	0	4409	2142	4132	2437	0	0	16395	9460	1569	2075	5463	0	3038	0	0	3728	3840	0	2408	1587	6423	10044	12532	0	1604	0	0	0	9651	0	1175	22244	Phytochemical	0.625	0.875	0.0
16	C16 H14 O10	367.06598	367.06644	-0.059217542	367.06595	39425	33641	40550	42019	108747	60803	13347	10566	112182	23320	23832	19612	204734	51219	23674	12232	14912	148878	123206	13318	26610	51687	34020	14307	5526	1745	12110	4423	9088	7170	14002	8346	32444	11064	36730	7738	26754	25317	10111	15474	22121	33429	2347	477	772	14302	30766	1806	10395	8525	41011	42961	71963	404	111556	89149	34558	17062	16913	10968	19772	17370	185253	120292	33952	130479	48316	12339	12936	7650	9983	12033	6700	3522	12025	8186	676	19382	45731	31562	32032	20622	4374	2292	116732	47860	35597	44625	43259	0	7601	16268	33378	47696	32048	704	36793	41858	70056	91612	107140	30727	17384	10374	16458	20575	72926	544	13186	222253	Phytochemical	0.625	0.875	0.0
8	C15 H14 O9 N2	367.0772	367.0778	-0.046310656	367.07718	12868	15982	12300	11328	22082	8100	1956	3130	29706	5164	12166	8670	41582	4400	3790	4726	8200	20998	26168	6706	15488	17486	10154	8588	2194	1154	1560	0	3760	2882	3220	4430	7242	2474	13246	2430	6668	4462	9480	9918	20870	10416	0	0	0	4318	8538	0	3722	4026	12596	9266	13586	0	36198	26784	10952	3544	4296	4356	0	9850	62026	44322	10752	36396	12724	10608	0	0	5156	3368	2112	0	5705	0	0	4340	5550	0	6204	4118	0	3292	31858	0	5412	16570	13748	10072	0	0	15086	13566	5222	0	13134	7718	15180	32284	26760	10466	6984	3300	0	6512	16674	0	0	60724	Peptide	0.6	0.93333334	0.13333334
14	C15 H14 O9 N2	367.0772	367.07773	0.013092875	367.0772	9047	5865	4129	4675	7737	9498	2883	0	11128	6303	3733	4722	23559	3701	1731	2698	5120	14314	11271	0	8847	17738	5790	4668	2068	1367	0	0	2041	1814	2026	0	6715	2012	11352	0	4284	3299	3650	3980	9601	5786	0	0	0	1398	7484	0	2687	0	6521	5573	10533	0	12785	12760	4815	2310	0	0	0	8670	25197	19420	4286	10630	4752	5076	0	0	1670	1876	2099	0	2141	1103	0	3961	6757	0	4128	2475	1265	0	9174	3964	7876	8073	4747	9888	0	3983	10896	14555	4588	0	6800	4904	5940	12151	9633	6153	4433	0	0	5132	3786	0	3021	32913	Peptide	0.6	0.93333334	0.13333334
12	C15 H14 O9 N2	367.0772	367.07773	0.010075965	367.0772	4736	12671	7234	6842	15160	8910	3333	2733	21577	9444	9697	3769	26623	3694	3794	4148	9273	17884	16842	3830	10256	23849	8992	4586	2093	0	1853	0	2060	957	4245	1782	7222	0	17986	2163	8166	4924	4684	7745	14805	6245	0	0	0	2613	5756	0	1876	3065	5996	8175	8658	0	19689	15678	8415	5737	0	0	0	3930	35463	25026	6524	22754	5913	0	0	0	3720	3636	0	0	3062	1646	0	4275	10481	0	6501	2851	1569	1359	15761	5153	6465	9700	9791	13610	0	2902	14294	20099	6235	0	9928	6064	10964	15362	13324	6175	4489	2622	0	6548	11104	0	2035	34603	Peptide	0.6	0.93333334	0.13333334
10	C15 H14 O9 N2	367.0772	367.07773	0.030049045	367.0772	7736	9508	5924	5033	16180	5892	1486	3549	17527	4512	8444	6661	27910	2311	2807	5243	2882	14960	15440	3494	11846	19743	6638	5321	0	0	2684	0	2111	1408	2113	1561	8880	2054	12638	1091	4290	4140	4978	8421	18472	6916	0	0	0	3487	6816	0	3344	1943	8093	7520	9003	0	24577	16778	7637	5445	4067	3871	0	7982	39237	23764	6129	23402	8120	5368	0	2260	2801	2926	1393	0	2496	1561	0	4091	5972	0	4751	3809	868	1205	16891	6142	5415	11213	9941	11921	0	2976	8610	16646	7299	0	6834	7520	11212	17904	15222	6821	6402	5067	0	5970	9628	0	2453	36559	Peptide	0.6	0.93333334	0.13333334
14	C20 H14 O7	367.08124	367.0817	-0.042611673	367.0812	10824	8452	6945	6072	7627	3451	2127	2182	9083	19878	19390	2391	8210	3859	3253	4258	2676	8764	10883	18726	16178	17465	3286	2970	2364	20088	3437	7513	1719	2063	3506	0	3718	2149	36476	0	2449	2659	1655	13081	17141	2392	0	0	0	12749	15862	0	1905	0	7827	9542	6022	0	5113	4367	2764	0	0	0	0	6146	10008	10849	4785	8232	2837	3518	22341	26319	45335	1543	0	0	1955	1250	0	1574	5787	19077	4560	10955	1463	6416	9221	4418	8496	4051	4433	5311	4896	5772	2827	17504	14775	0	7424	6341	7090	6879	9914	2649	1697	3616	0	4788	5967	0	2572	7046	Phytochemical	0.35	0.7	0.0
20	C20 H14 O7	367.08124	367.08163	-0.062244397	367.0812	33464	29423	24903	22898	30815	11393	7808	6044	23538	54179	39703	8837	23602	19081	9780	12834	12316	34234	34364	49555	43843	47212	12011	18978	8429	70564	8961	31680	5563	3624	3310	4627	12805	2617	82104	5301	10941	13160	10825	34456	45259	14779	1395	0	0	33818	41424	607	9692	5150	32253	28660	21661	405	27606	24350	15904	16479	7832	13440	11989	23285	35691	21098	18528	34962	19462	13691	56375	58081	84776	4741	3928	0	6365	5542	0	4745	27029	50148	23593	24432	8874	35033	33979	19403	31255	21265	19804	32156	20140	19659	22046	69176	56113	0	25133	18521	27662	28349	27501	12580	8728	10656	27028	9739	22269	0	13127	39424	Phytochemical	0.35	0.7	0.0
22	C20 H14 O7	367.08124	367.0816	-0.12169763	367.08118	21767	23849	12689	18173	18709	13162	9818	12716	24350	29406	31447	8923	16549	13959	10251	15385	15791	35029	24965	24362	30716	40603	16527	17665	11761	41145	8778	22240	5116	4860	6465	7290	9132	4406	46254	8541	11208	11845	11349	18197	30467	10667	0	0	0	24257	37306	0	5344	13318	20115	22149	19074	560	19255	21615	11824	13701	10346	15838	15249	15571	30224	22723	15683	24983	14746	12568	40754	39414	59944	7948	4293	2653	5943	4640	304	6633	29728	31307	24865	25644	9395	20920	27529	20071	30272	14688	15761	25448	11975	13808	19098	46096	47679	0	15980	16376	21863	21146	17373	10375	11406	12160	18179	15280	18729	0	19108	27322	Phytochemical	0.35	0.7	0.0
16	C20 H14 O7	367.08124	367.0817	-0.038422417	367.0812	17828	13476	13105	14520	13612	7630	3967	3346	17405	53076	40979	3161	11705	8874	3932	5903	4475	22319	26351	39223	34303	32499	6804	3445	4434	49326	3335	23401	4859	3236	2592	3845	5408	2174	64002	2260	4936	4317	2915	15491	28221	6169	441	0	0	13570	23731	0	3471	3592	14085	14634	10193	0	17293	12085	8122	5643	2581	7286	0	14720	25805	13664	7608	15263	8339	4873	49162	49478	59261	3402	1784	0	2118	0	0	3803	11676	23881	9781	14701	4768	15371	19627	10640	13164	7740	7691	0	9308	8282	0	32120	42497	0	16295	14781	14704	16456	14822	4246	2220	5076	12059	0	12658	0	6856	20100	Phytochemical	0.35	0.7	0.0
18	C20 H14 O7	367.08124	367.08167	-0.034592185	367.0812	25455	21834	20462	21455	22640	15959	3729	3458	24341	76141	60410	4559	24534	14372	5376	8582	6367	28415	40510	42350	48564	50062	13716	9895	6248	72878	6883	34489	3525	3440	3317	4869	9712	5546	90628	0	5395	6897	10402	31327	32928	10258	1245	0	0	23711	27766	466	5036	1636	26078	25351	15918	0	25148	18629	19022	14673	6315	9026	7961	21889	36413	20268	14127	26147	15285	7561	53663	63967	77017	2404	1593	1305	4863	0	0	3475	22791	43376	16530	27961	6285	25885	31153	18906	16782	15119	10332	14466	16846	15707	16168	47115	61226	611	23877	17759	22165	23521	16660	9422	4094	8788	14941	8661	19508	0	8226	20675	Phytochemical	0.35	0.7	0.0
24	C20 H14 O7	367.08124	367.08157	-0.12510712	367.08118	4081	8065	7529	5220	9379	3845	2228	1712	8219	14716	7499	3078	7822	4390	2930	4298	3620	10290	10603	10401	12277	13460	5264	4188	3076	20419	0	5296	1993	0	2250	998	5379	2229	23004	2937	1569	3889	3420	6832	12814	3763	0	0	0	6983	14310	0	3423	3155	4580	4826	6910	0	6848	6336	4138	2090	2445	4713	3551	5815	10743	9447	5954	11706	6880	3828	16899	16959	28484	3137	1655	1519	2478	2779	0	2651	9306	13904	9067	8813	2932	8752	10133	5300	12169	3299	2429	6643	2196	2911	2676	22297	23055	0	7033	8321	6726	8356	10366	3392	2033	5080	7040	3212	7191	0	6255	10923	Phytochemical	0.35	0.7	0.0
10	C14 H14 O8 N4	367.08844	367.0892	-0.021849765	367.08844	6347	4605	11628	3575	8208	4505	1115	1930	17342	30598	21926	3142	2014	7998	1479	2518	1732	12206	16802	6992	32954	36742	2762	1387	0	10579	0	3925	1084	1270	2174	1682	0	1002	29054	2815	0	2485	3447	10458	34488	2384	0	0	0	2381	8156	0	0	2173	7722	5982	10610	0	11361	14564	2937	3473	0	4184	0	15176	26054	19968	2552	9372	6315	3342	10339	8052	39114	1943	1229	1811	3810	1587	0	1890	3661	4974	2406	3236	2692	4051	7230	2459	5815	4354	1955	4086	2943	5574	4300	32052	26026	0	4900	9019	6611	16318	20122	4217	2251	2403	0	5017	10412	0	969	18652	Peptide	0.5714286	1.0	0.2857143
8	C21 H18 O4 S1	367.09985	367.1005	0.24344695	367.09995	2495	3202	2719	3104	2860	2987	1317	0	5965	4590	0	2386	2688	1438	1219	2018	1745	2752	3163	3073	2695	3604	1719	1327	0	1290	1776	0	0	1809	1835	1884	1712	1638	3131	1325	1388	2035	1856	0	4248	3094	0	0	0	0	2228	0	3058	1653	3211	2086	3732	0	3623	3530	4092	3037	5667	5024	0	3326	3533	5335	2349	5129	5259	1615	0	0	0	2487	2636	1556	99470	1309	0	2927	4616	0	1516	2438	2774	2459	4264	0	2313	2902	2833	2097	0	0	0	0	0	0	3113	2182	3246	4945	3131	3346	1970	3463	0	993	2617	0	1649	4378	Organosulfur	0.1904762	0.85714287	0.0
12	C21 H18 O4 S1	367.09985	367.10037	0.20230404	367.09995	0	0	3874	5131	6475	6276	4770	3745	5651	0	4446	4807	5107	4725	3076	1431	0	0	3717	0	2707	0	3560	0	2873	2960	0	0	3444	0	3885	2916	3915	4412	0	0	3131	8564	0	10225	0	3290	1815	0	0	4740	0	0	1161	3555	0	0	5956	0	3298	6826	7519	2236	9077	0	0	11462	5618	7523	5061	7363	6279	0	0	6534	0	4482	3033	2023	20164	2983	0	5591	4705	0	4838	3346	4106	0	5249	6051	5887	4239	7244	0	2949	4065	4840	0	0	0	3231	0	10477	6186	5037	2828	6467	0	0	2188	10511	0	2507	0	Organosulfur	0.1904762	0.85714287	0.0
6	C21 H18 O4 S1	367.09985	367.10052	0.3019216	367.09998	1715	1318	0	923	996	0	1237	0	1581	1358	1332	1313	1121	1284	0	3020	0	972	1494	1534	0	1598	951	0	0	0	1700	0	0	0	990	0	0	0	729	727	1733	721	0	0	2517	1027	0	0	0	0	0	0	0	0	1866	1792	1589	0	1144	1503	2265	0	2306	2383	0	0	0	1689	1367	1433	1547	0	0	0	0	1878	0	0	59563	832	0	775	1090	0	1540	1053	886	0	1376	0	1060	0	1127	0	0	0	0	927	0	0	1721	1030	1636	1910	1191	0	1270	0	0	917	2758	0	0	2181	Organosulfur	0.1904762	0.85714287	0.0
12	C17 H18 O9	367.10236	367.10284	-0.006443482	367.10236	555600	605507	584201	600948	1128098	396399	262937	356447	1672762	2601742	788668	263199	1583068	245206	292155	373117	290488	1699398	1763284	2145398	2329932	942453	417394	384752	152292	384014	251739	457587	299494	279197	309465	333049	461960	290232	3445612	281393	423255	325238	653416	1543000	824930	330559	11997	2266	1873	501418	616081	2250	351532	331793	632197	619215	922302	2407	2163668	1050110	332699	391750	391768	370203	500930	1242120	2258154	859752	240922	725540	402369	337533	838972	780638	1993254	308246	292559	255150	269134	304634	1702	291783	435047	497632	388529	837574	231289	345547	1099304	330018	728852	634940	746210	343352	282254	438754	369013	729822	1567260	3749	617542	565328	660820	521037	973716	433398	277166	371965	484116	302745	1079300	2246	191852	2293688	Phytochemical	0.5294118	1.0588236	0.0
14	C17 H18 O9	367.10236	367.10284	-0.008686486	367.10236	577184	598657	538545	551045	617439	487643	274737	357309	919883	1075178	584385	282930	2292210	312628	383127	332232	246575	1057702	910594	923630	2042710	878425	408337	372034	215516	349695	230875	405497	294714	282555	318578	331907	469237	308819	2973242	299823	450639	344535	284412	1542260	645313	364589	14780	2334	2172	504300	547425	3128	335643	297499	564409	493474	545323	3001	1170629	582187	333540	394386	471772	305659	434230	1214656	2348304	939213	273698	768316	406186	247736	700226	776751	826992	329366	308010	277331	227132	306944	1601	304862	432771	478584	396336	403658	231365	330509	584689	354076	382430	342448	433301	309341	296529	426887	418850	602910	645454	4766	559427	562031	563032	577348	489322	391724	308147	425874	474300	335596	475251	2589	229310	2134536	Phytochemical	0.5294118	1.0588236	0.0
4	C17 H18 O9	367.10236	367.10294	-0.18705548	367.1023	9478	9087	8154	8393	11173	6823	3874	6897	15426	11163	11592	5156	18400	6277	5333	6475	8536	14310	12718	8287	11492	10707	8293	8343	2964	5121	4709	3110	4124	4711	5568	6187	6490	3611	15537	4164	5150	5571	10885	7037	10108	7118	902	713	1361	6102	8087	1047	6347	6280	7768	7417	8419	922	13941	14932	7196	6394	4587	6431	7917	4505	39304	13959	10766	13884	6624	8081	13889	6835	13781	4311	3600	5352	2960	5680	792	4669	7600	0	9905	4178	3202	2870	15248	7460	6611	6391	9049	11215	4293	3489	10520	5852	5046	2276	8587	8623	13075	21787	18174	6270	5255	5775	4780	5679	13332	783	3453	38594	Phytochemical	0.5294118	1.0588236	0.0
8	C17 H18 O9	367.10236	367.10294	-0.05926777	367.10233	312406	164840	240526	165195	306324	90605	63771	98028	429640	647124	502862	180378	493358	68847	81136	120078	217018	369572	438160	477530	612260	208981	242922	121323	36938	87177	66909	112046	69016	74982	77312	97693	108310	76254	773602	73191	108012	91548	251130	333654	530246	98305	3917	616	1017	123527	353954	1030	102973	92661	294156	305504	251236	1253	250621	354228	186896	107390	91136	246094	119858	284020	563406	458618	96290	376636	196076	126060	217061	173814	337489	195884	83595	66676	70410	91421	815	76413	153188	104055	246506	165002	64209	72175	198039	85258	237962	188744	111974	265310	58049	108926	132004	399216	390934	1298	295392	307878	372754	431576	191259	115622	78678	130860	103238	193900	180795	743	62115	529000	Phytochemical	0.5294118	1.0588236	0.0
24	C17 H18 O9	367.10236	367.10275	0.023971375	367.10236	13292	12295	6113	8897	17327	11881	2697	5156	24820	15072	6397	8280	36933	10052	7816	6925	5120	23602	22111	8907	14080	14187	10621	6707	5465	5441	3321	3312	4099	3428	5593	5275	8702	5221	18645	5333	10018	7845	5083	10238	7970	6698	1811	0	0	11485	9997	2337	6011	4224	10248	11189	10219	0	27420	19261	6835	6032	5688	5396	4959	8069	31313	18480	7740	21289	6251	5467	8356	7536	8644	7488	4472	4582	3985	4010	0	5896	10167	6996	10382	6904	3526	5463	16140	10704	8956	3302	7775	0	5271	11025	9099	6666	10112	0	9600	12998	12528	14799	14717	5163	6230	5738	7872	8498	8744	0	3358	36422	Phytochemical	0.5294118	1.0588236	0.0
6	C17 H18 O9	367.10236	367.10297	-0.089001626	367.10233	49026	51070	44052	45684	95082	28635	22989	33123	147500	89236	76039	30546	153820	26494	25858	45674	35991	66577	82689	60814	183064	104868	38699	45015	9487	24924	22856	31794	24617	26957	25415	28280	38165	24350	185758	25597	35592	27743	48024	34552	143168	35266	1427	599	1062	31723	57513	654	36299	31100	105882	48872	42241	1098	80046	62761	67188	39873	27468	41392	38658	34847	196686	73510	30518	132864	42064	51295	66339	46416	91534	28105	25451	24901	16476	24851	787	22233	36931	25542	34929	23902	16990	17051	145460	38899	40005	36047	40153	46135	20583	27560	46274	95038	45057	1214	41729	51838	55644	75627	154092	36481	28392	38724	39336	36952	58315	645	20115	194048	Phytochemical	0.5294118	1.0588236	0.0
22	C17 H18 O9	367.10236	367.10278	-0.032198925	367.10236	22688	24702	22706	21044	32635	23402	10134	19989	39216	26645	11596	15062	50766	16420	25155	12331	12462	54052	35085	27170	28609	34759	24244	15268	11209	7736	6061	8177	12856	13538	14107	16392	18785	12276	30123	13834	19718	17308	11281	21959	19771	12236	2583	0	2987	23116	24610	2652	17442	11398	21866	21803	23233	2406	46331	34744	17960	14216	10771	11021	11921	21828	55851	37793	16741	46589	17319	12267	17362	19875	18639	13080	13120	11608	9713	14381	2490	11656	20572	14430	21771	21057	11241	12385	43456	26365	19883	18452	18819	10154	12808	20069	12167	26433	21498	0	24051	20030	27483	38935	30422	12345	15423	13019	20238	15715	21999	0	11989	63482	Phytochemical	0.5294118	1.0588236	0.0
18	C17 H18 O9	367.10236	367.10278	-0.07560586	367.10233	173363	158524	164655	148755	208292	171582	74635	114745	234855	220115	118974	92435	408553	122273	133072	92859	67309	320091	275927	200702	191182	195087	139163	123383	79991	89230	77987	80071	115038	78104	118068	111185	139007	104729	256880	95782	157855	103790	85508	170052	151724	102005	9822	2141	2407	162035	137193	3390	121208	93214	166022	180672	159956	2462	347286	179013	111053	112441	117215	72551	116610	168743	354712	254754	96661	266233	135883	69121	134546	195216	208995	113425	94770	93312	69792	120997	2732	105513	160327	98079	138242	146391	65059	86201	208282	137926	128251	116192	128374	69145	111259	153005	134714	125356	170063	3145	174836	143274	166490	182201	158845	109844	99798	107914	103923	112673	135856	2352	76230	366283	Phytochemical	0.5294118	1.0588236	0.0
26	C17 H18 O9	367.10236	367.10272	-0.0684047	367.10233	6862	5971	3962	7798	10855	7831	0	0	13138	8923	4140	4388	21678	7248	0	0	0	16191	12833	8714	11499	8602	7406	5228	0	0	0	4500	0	0	0	0	5552	2642	14449	0	5771	4372	2345	8150	7378	0	0	0	0	7744	8345	0	3620	0	7867	7055	9046	0	15089	10737	6269	3085	3205	3374	6291	4019	18348	13297	4573	14202	5892	3398	0	8459	5842	4124	3587	0	0	3273	0	3969	8634	0	7182	6736	2702	2913	11528	0	5337	4245	8339	3781	5759	5143	5238	4697	11076	0	7715	5799	5722	7728	9975	0	4885	0	7414	4225	6100	0	0	24815	Phytochemical	0.5294118	1.0588236	0.0
16	C17 H18 O9	367.10236	367.1028	-0.03933646	367.10236	333668	354294	340186	347476	421884	354736	148626	227901	588737	549323	300951	180547	846530	232062	248411	213335	153236	737937	624107	512158	541204	485881	287224	255354	153930	222451	143244	182153	198739	185950	238712	235692	309400	205795	706372	183883	310542	213989	183324	440262	323264	204743	11445	3166	3470	321613	309210	3093	233419	198947	347342	332598	353032	2838	688112	366805	226811	234957	271166	153200	253529	343800	758155	585860	173138	533559	291283	150709	337957	473371	428814	241229	218948	195024	152349	201072	2529	206914	291093	256873	244857	291555	137346	207421	414252	243385	243386	217432	276546	183051	214344	317942	268094	320819	375870	5260	367074	322655	366795	319286	315598	257889	171426	212517	225313	279903	316885	3257	161294	867519	Phytochemical	0.5294118	1.0588236	0.0
20	C14 H22 O9 S1	367.10574	367.10587	-0.75229347	367.10547	67504	64912	69386	54533	77648	67242	27830	39333	93523	75191	40143	36528	136171	47719	52566	39024	24323	106921	88474	71140	71772	63380	55749	46004	34247	40667	29328	30048	41821	29592	42736	43413	51748	39693	87439	30471	58070	43551	29579	58597	53878	34318	5722	5140	5155	60543	61191	5667	39752	33669	63718	72702	65163	5247	116472	70338	46137	39476	42084	33682	43081	55782	134280	98834	38549	98435	51066	33423	53903	64939	71771	46392	41449	33768	25962	33741	5662	42967	65834	28432	53725	46270	33225	38820	104821	56063	53565	45016	49934	33260	31483	45748	47451	51779	46550	4799	58566	59132	74190	75632	76722	44576	33555	47013	50314	38164	66583	4682	33255	155545	Organosulfur	0.64285713	1.5714285	0.0
10	C16 H18 O8 N2	367.1136	367.1141	-0.08250243	367.11356	226201	226087	199490	204437	164853	141259	114451	216737	234522	252622	197286	196570	263820	65459	180654	213331	219749	283053	284418	209456	305313	362018	225428	237636	93367	31795	116784	96113	175697	173401	189184	185353	283030	184187	351998	166327	269026	164930	262740	297558	388392	159018	2463	0	0	205596	275915	0	200846	193994	220579	238424	172480	376	289181	132968	108781	202034	223162	228616	259156	228352	288997	262677	124875	240643	171071	289669	110214	103437	153756	210133	189176	152335	172063	167676	0	161622	175622	143525	171934	154514	106787	77924	151734	104768	161476	198098	189535	293401	116522	211202	365095	231973	212417	723	224897	217549	126437	138455	136994	258437	183563	224269	203743	255481	121791	0	121100	416810	Phytochemical	0.5	1.125	0.125
8	C16 H18 O8 N2	367.1136	367.11414	-0.08935212	367.11356	218512	243964	176936	230319	147133	109306	96594	192159	208575	248924	201427	190443	247575	52247	138197	211127	257190	220517	271364	225499	344508	357781	205320	218827	59401	25039	105934	90503	149494	151578	167840	191884	233727	163984	381878	152927	231185	143906	296498	275586	431685	153421	2057	0	0	207541	335095	0	199802	176614	221205	219911	158014	293	252168	133225	116244	175119	173170	244292	215004	225177	300987	260525	115266	216248	157607	305527	103806	83396	144202	190035	171198	134755	148944	155999	0	146681	172938	119324	141805	138882	95843	83022	156124	100768	139144	198484	178569	297236	94378	199065	325778	225920	188039	532	216504	218484	134914	153408	148102	232190	159126	220529	162488	224106	129767	0	104043	359017	Phytochemical	0.5	1.125	0.125
6	C16 H18 O8 N2	367.1136	367.11417	-0.09534493	367.11356	128615	134339	118808	127857	83359	61934	51799	113359	117084	134904	137309	103212	139071	27457	72623	126467	146554	146349	147615	113125	199309	196283	103849	126761	34412	12277	54502	49262	85133	88935	96880	108972	148878	97242	181029	101434	128281	81430	166359	110144	231007	94541	1096	0	0	107338	193949	0	124176	108955	120110	131750	94832	0	129578	80971	61055	116342	86406	157611	120720	113087	181114	128589	66835	121755	100946	200491	51116	42515	81394	94979	101192	85118	70677	85093	0	70181	78539	55789	69484	63955	49262	37311	96013	66538	77886	131708	122364	194857	47984	81703	173152	119340	105831	0	124682	120457	70264	94858	94477	146634	94798	131209	119714	143297	80331	0	50421	219904	Phytochemical	0.5	1.125	0.125
20	C16 H18 O8 N2	367.1136	367.11404	0.07606791	367.11362	9457	7750	6768	6730	9082	12462	8764	14966	12578	8768	6946	12598	14214	7078	23110	11624	7216	9934	14766	0	0	9788	19866	9096	20942	3093	12194	1649	10280	6770	8666	7994	14440	7524	10428	8080	14200	15358	9536	11360	9830	8364	0	0	0	6948	8638	0	7518	15152	11070	6332	14402	1240	7878	4344	11742	11464	11264	6218	13324	8940	11950	7612	7754	15276	16062	8238	5918	3019	3178	7482	5098	4710	7338	6640	0	13158	13916	8526	9200	2382	11506	0	4930	12803	22350	15364	12978	17260	7674	17062	26380	11880	8646	0	7970	11655	9976	8874	4002	17192	10986	7298	7274	23038	4832	0	11870	21620	Phytochemical	0.5	1.125	0.125
12	C16 H18 O8 N2	367.1136	367.11407	-0.09503673	367.11356	178344	169769	168795	173564	144782	120446	111374	171460	173941	186297	127715	131390	192428	61803	132867	146504	177520	222085	249135	160522	210030	316089	182264	171400	94048	23096	101896	81259	135652	108400	140148	152143	224045	131103	245137	109965	191079	132810	196135	187942	236682	126277	1993	340	355	148461	204534	0	154957	142796	180598	157382	148120	0	250216	104565	100601	174807	178398	169219	146639	178491	238899	197226	81828	195058	145168	220914	62449	78463	118939	142507	122192	106958	120779	114609	0	139186	162566	92040	124364	120254	83370	74019	119870	93693	144859	137604	156943	272625	106739	186475	276242	167650	123185	659	181513	187292	107872	110646	95827	196361	132006	137500	165707	194197	106775	0	101777	340377	Phytochemical	0.5	1.125	0.125
4	C16 H18 O8 N2	367.1136	367.1142	-0.14301515	367.11353	30605	32958	30249	31665	25853	17041	10554	27949	32229	27641	33410	27265	36080	7273	16923	27868	57228	34695	35666	23023	41548	47637	27276	35387	6510	3233	15300	8569	14678	19100	24012	18335	40048	17484	38259	22010	30062	18303	63350	22804	49048	24866	0	0	0	21463	39182	0	25012	26768	31944	26684	27561	254	31490	27331	18744	23478	17858	32369	26855	19755	49828	40279	26301	31788	25072	62167	11645	7910	14627	19417	17086	18701	13067	17795	0	19166	20722	11682	18897	14536	11445	7366	36103	18156	18457	38139	28366	53544	12127	17339	53325	26011	22172	0	28467	34038	27228	36614	33483	35542	22721	27414	19689	38115	27007	0	11631	56345	Phytochemical	0.5	1.125	0.125
18	C16 H18 O8 N2	367.1136	367.11404	-0.038575884	367.1136	23196	26213	26892	24773	31477	29943	26874	26606	27086	18416	6724	26065	26666	11734	31441	32870	17776	40036	44671	6802	15524	36512	36191	35594	20987	6094	25605	4875	23325	16553	26839	25162	46458	28083	13656	18749	44670	32570	21360	15366	14320	29982	543	0	566	11935	8635	468	41797	21088	30202	29846	32980	997	31118	13314	26432	35910	12754	9191	39617	11804	29926	24807	19856	37252	29807	23785	8766	10438	13662	22875	14939	8948	17106	17459	432	26518	34895	13361	33472	11568	8147	7012	17141	17904	37167	37848	37525	29487	12097	20450	63636	12830	14991	0	23104	21348	17480	18138	15716	45071	33050	10734	8068	45374	19889	426	35193	49535	Phytochemical	0.5	1.125	0.125
2	C16 H18 O8 N2	367.1136	367.11423	-0.16195437	367.11353	6989	7051	4733	5750	12020	0	2818	6710	13664	5392	8535	6778	20764	5788	4786	1009	6966	13254	12163	4468	11079	10577	7208	5175	1178	894	0	2427	5675	2939	6373	5641	10699	4238	11701	5211	5355	4015	5425	5086	10736	9302	0	0	0	3825	5677	0	5190	3446	7416	5399	8852	0	12315	9480	5089	5948	4191	5036	1416	3737	27455	14257	5324	16757	8872	8358	1773	2572	4191	4246	5226	3188	0	4138	0	4046	5631	0	4469	2233	2092	1837	11159	5537	4938	10942	8479	10890	2298	4473	10748	7588	1078	0	6050	6914	7243	13017	10753	6353	5701	4465	3326	9284	7663	0	4017	25288	Phytochemical	0.5	1.125	0.125
16	C16 H18 O8 N2	367.1136	367.11404	-0.042838067	367.1136	51134	48356	44776	41602	46298	46497	39337	43474	54225	48699	27250	33697	67662	22015	45931	56159	39765	75342	74431	23216	41295	75480	48466	54980	41492	4832	37975	18114	40061	32548	52645	45013	72527	44581	62564	37233	68080	44406	47700	50525	54515	44507	1407	0	498	31723	40754	0	55536	38325	49910	57081	45318	396	52589	31611	33961	59050	41639	30606	53833	36859	58749	49942	29461	63527	46730	38893	13014	16415	22771	46795	37230	22858	35545	34460	536	38178	48470	31582	38791	28259	23695	22212	36326	32987	56207	50668	56507	65247	31085	52526	108513	39502	42964	725	51491	45279	31943	36593	40777	69687	40947	36408	23640	78568	37105	584	39587	97555	Phytochemical	0.5	1.125	0.125
8	C13 H22 O8 N2 S1	367.11697	367.1176	-0.14947149	367.1169	3835	2685	2201	1487	2092	995	1311	1020	1570	3897	5367	2210	1058	0	1253	2921	2738	899	2731	2828	2051	1176	2473	1020	1230	1560	1753	49860	1466	1757	752	1545	2173	1450	1797	2170	1821	1313	3523	1480	0	731	0	0	0	0	2696	0	3468	2032	2382	2158	1221	0	2132	1382	1026	2004	1124	1943	0	1237	2022	1240	0	1247	924	2365	0	2345	2712	1997	3142	0	0	3407	0	1006	1327	0	2113	2037	2041	1536	1541	0	1338	889	1014	2917	0	0	2734	0	0	0	2630	1651	0	1194	0	2226	1331	0	0	1421	0	0	1726	1114	Organosulfur	0.61538464	1.6923077	0.15384616
28	C21 H18 O6	367.1176	367.11783	-0.22964421	367.11752	3349	3481	2595	3120	3470	0	0	0	2162	5880	4928	0	4824	1883	0	0	0	4259	4611	3992	8196	4157	0	0	0	11040	0	4280	0	0	0	0	0	0	10003	0	1333	0	1822	5048	8338	0	0	0	0	2792	4060	0	1472	0	2538	3099	2883	0	3793	0	0	1140	0	2239	0	0	4233	1857	0	3436	1821	1829	14313	13077	22424	0	0	0	0	1377	0	0	2846	4398	2030	3540	0	4346	3899	0	1738	2975	2180	1986	1439	1663	0	4013	6960	0	2092	0	2224	4259	4135	0	0	0	0	1698	0	0	1757	3065	Phytochemical	0.2857143	0.85714287	0.0
12	C21 H18 O6	367.1176	367.118	-0.2784689	367.11752	7945	9163	7504	12746	4895	5420	6068	7834	7363	15129	9956	5580	5218	2832	5071	10263	10446	5548	7651	14283	13967	18840	7582	10998	5084	27042	3833	0	5242	5548	6971	8108	8967	4904	18500	6947	8132	8563	9205	10992	15584	4272	678	0	0	11372	13729	0	8728	5927	9734	12279	4773	0	5774	4900	4861	8335	6730	8309	0	8395	7666	5110	4395	4310	3541	7758	19389	18668	28328	6023	7764	6397	4803	8527	0	5540	10399	0	10669	13017	7686	9553	9329	4577	9421	4173	5768	16207	6100	7174	10366	6455	11847	525	9602	15467	7541	5925	6296	7471	9090	10791	0	8764	4465	0	7809	4767	Phytochemical	0.2857143	0.85714287	0.0
18	C21 H18 O6	367.1176	367.11804	-0.05323019	367.11758	54057	60936	58924	53166	48533	30173	22441	33803	44523	140041	113706	20009	45144	38750	25596	36312	27121	56168	66681	116769	106716	69390	34832	29992	24867	226535	23083	85514	19435	21895	29465	22703	31214	23564	133946	24939	39232	21682	30613	85918	95558	27913	2533	0	386	55949	55047	0	29355	22540	59589	64974	40753	522	43842	41635	28608	45942	21580	26867	30638	62665	55649	40608	26539	59329	42505	27498	191389	222820	297585	22344	19637	19941	18641	27746	437	19600	44165	61245	38995	54734	27038	68518	53959	32224	45589	32940	31297	48083	50906	45671	41211	63617	89632	938	54083	50754	48191	37208	47419	32612	20049	36101	30966	25730	32018	0	31233	50260	Phytochemical	0.2857143	0.85714287	0.0
22	C21 H18 O6	367.1176	367.118	-0.10322131	367.11758	46637	51710	43843	43026	44168	31191	14887	18688	53977	106612	118925	14186	35073	30029	21398	22179	19263	61226	50870	90454	102436	61429	24565	20391	21024	223315	16531	100874	13828	13842	13072	14279	20612	12715	131164	15513	27842	18336	17755	66023	92457	25191	3591	0	949	58067	64162	0	19538	19956	47060	50791	34584	933	39550	35337	23541	29231	21392	19588	22084	54353	56356	37620	20843	45134	34298	15434	209897	191650	249576	20574	7239	7565	9238	18550	583	12570	44640	62622	35033	47141	21141	64187	54558	33421	40765	25897	26353	29866	31679	27089	25139	82099	75609	0	38737	50293	46751	42173	44591	23893	15944	26534	40953	25443	41469	0	22577	45645	Phytochemical	0.2857143	0.85714287	0.0
16	C21 H18 O6	367.1176	367.11807	-0.091653734	367.11758	37408	36950	36466	36189	31453	19528	18585	22317	29106	84662	58550	12269	26611	20336	17172	24851	22616	31226	37429	70231	61982	42732	23635	21590	19421	129919	19476	43580	18469	17098	25736	19434	20862	14653	97788	13788	25253	18936	19226	47461	62818	16834	1056	0	424	39296	43152	649	23367	21911	34488	41314	20414	358	31054	24201	20575	30860	24664	17707	27093	27588	31930	29738	14680	29521	27001	21863	112172	142531	170202	17573	24628	19325	14322	26319	552	16435	35564	40643	31599	34187	24100	42232	31931	22838	30202	21794	20117	33757	34674	26235	32356	36536	50758	692	36777	34397	29749	27517	26793	17617	13869	24303	22534	25785	22249	0	23703	30825	Phytochemical	0.2857143	0.85714287	0.0
20	C21 H18 O6	367.1176	367.118	-0.11327237	367.11758	64270	68454	61874	54871	56468	42938	20394	31265	57810	164265	146849	19819	65067	47274	29487	32154	28539	64965	77180	127801	152017	90221	30650	35485	29226	302932	20785	127368	25892	19737	18406	21385	30980	23982	174522	19062	31908	23361	24100	105724	122271	32664	3334	0	736	73324	87012	1433	27629	22839	62291	65918	46507	721	50564	43862	31025	39468	28492	26851	31375	68623	66915	47487	34653	64725	44491	29434	263360	278621	381323	23412	20752	16471	20000	23617	435	20515	51053	77883	43656	50990	32445	96372	64177	38925	49193	37906	37587	47550	50670	46576	51189	95156	105780	1360	64023	65539	59896	50111	51785	37408	20975	35347	55020	31110	51696	723	27676	57997	Phytochemical	0.2857143	0.85714287	0.0
14	C21 H18 O6	367.1176	367.1181	-0.08376676	367.11758	355002	392655	352758	381576	309045	338661	293286	360729	382206	427695	276198	264036	488898	206979	311502	358962	338373	459828	471222	344979	428445	565419	363552	429144	257565	224736	225453	219708	290520	292272	280665	305199	460191	285771	544974	278847	458010	343656	378534	401184	459387	315423	8106	0	1683	314325	411666	1440	328266	278235	373461	355833	321543	1686	462807	231633	220644	419934	370845	235233	312072	354528	421473	387243	198561	421536	317826	331539	267990	326130	409557	305841	252057	244605	265503	253689	0	292651	348039	276630	305106	243105	186411	190392	288249	227544	339960	344634	374847	501975	267615	365823	624849	319902	353673	1671	402594	353355	245601	233538	249351	446958	291252	307884	270540	431946	249285	1314	277941	563115	Phytochemical	0.2857143	0.85714287	0.0
24	C21 H18 O6	367.1176	367.11798	-0.12622854	367.11755	18971	22038	17231	20499	25428	9880	4539	6261	19812	40714	47439	6198	28970	15139	10435	9492	8305	26236	23242	39816	40038	26838	12110	10187	6279	95541	5599	35264	5665	3798	6867	7058	7475	5203	53701	5372	7625	8280	6452	33404	51780	10971	0	0	0	26476	35494	0	6841	6260	22640	18377	14923	0	16680	22073	12504	6480	8866	9015	9133	27188	25387	15400	9599	22642	19829	6927	94868	64153	116980	5051	4433	3414	3500	3976	0	4659	19574	26395	15667	22834	8227	31927	30267	11856	17717	11056	15016	9491	10190	11041	8709	40321	36520	0	17808	21032	19184	29767	26867	8907	5997	12690	20373	8469	18634	0	8992	22697	Phytochemical	0.2857143	0.85714287	0.0
22	C18 H22 O6 S1	367.12097	367.1214	0.032576583	367.121	22104	20752	16746	21095	17212	18614	5685	5795	15609	66833	30136	3966	24930	7379	5945	22332	8647	20298	20170	61365	63495	41057	8424	13738	12025	57016	3788	34668	6865	4056	7043	6715	10963	6713	69078	5211	9471	11092	8857	52335	31710	17636	0	0	301	25489	21312	0	8505	4316	23948	20058	15375	0	33150	15499	10844	24016	22103	13021	7677	37027	17841	8483	4867	22306	14933	6134	37320	90374	56054	5450	4010	3565	4296	5184	0	3605	8392	22334	6839	14431	14942	35891	11970	9599	12998	8987	9273	16681	54313	55871	15590	36749	60898	0	18720	21026	13495	19223	12565	8064	4064	20628	15934	11259	13957	0	9517	21852	Organosulfur	0.33333334	1.2222222	0.0
24	C18 H22 O6 S1	367.12097	367.12137	-0.005256798	367.12097	7638	7733	6619	4955	8657	7915	3020	2436	7433	22737	8470	4153	12844	5182	4639	5259	3146	10562	7532	20644	16269	27478	4006	6506	5343	18995	0	12248	4191	1578	3549	3848	3465	3345	16718	0	5610	4692	7226	17519	11771	7023	0	0	0	9281	8394	0	3209	2386	7800	9888	6554	0	8578	8075	5296	4562	7395	6270	3241	16613	4665	2866	4611	9974	6895	3694	14351	24478	21398	1616	2752	1805	3105	1234	0	1923	3220	6142	1843	6005	5859	9995	6013	3330	5743	6295	4802	5186	18088	19494	10010	11315	21033	0	8553	9705	6614	8281	4810	3659	3021	10316	6941	6292	7576	0	5313	8892	Organosulfur	0.33333334	1.2222222	0.0
10	C11 H19 O3 N8 S1 Na1	367.12714	367.12772	-0.08573941	367.1271	8750	15342	12352	7010	11126	7818	7445	5076	4394	26738	15554	5782	5394	4554	3248	10744	7546	8200	9166	25970	34891	11304	7636	9196	7082	56648	0	24886	6350	4845	7021	1427	6012	10029	19198	5018	11864	4136	7190	20888	29254	5778	0	0	0	12062	31662	0	4514	6288	9334	10946	4380	0	7342	5526	4194	7266	0	6046	0	9616	8375	7952	2134	6926	5010	7017	45970	56672	62536	4440	2882	5854	5343	3856	0	0	8382	17640	6875	0	6228	18302	4608	3712	9654	5134	4008	21658	14082	0	14716	25214	21593	0	10052	0	4314	7684	5804	5410	6252	8540	0	6268	5136	0	6618	6108	Organosulfur	0.27272728	1.7272727	0.72727275
12	C11 H19 O3 N8 S1 Na1	367.12714	367.1275	0.007518265	367.12714	8208	4160	5065	2531	10135	5976	0	3961	11857	22984	12725	5841	4831	4222	9413	9221	7839	8818	12606	15671	16772	7418	5965	6558	5722	25748	2555	11605	5908	6706	7856	7762	10639	10179	20934	6466	9479	6844	9269	16896	15970	4913	0	0	0	9110	10329	0	6315	3402	4917	7526	9912	0	8921	3298	0	7519	5630	0	0	6240	10251	7255	5246	5558	4977	7733	22900	28653	48306	7455	6849	6322	7175	5158	0	5867	3300	0	9965	9285	5274	11915	3865	5792	6020	3467	5339	9369	9265	7853	11894	14007	12063	0	3962	7804	0	6841	4018	3231	5744	5366	0	6529	5279	0	8577	14520	Organosulfur	0.27272728	1.7272727	0.72727275
22	C20 H18 O5 N2	367.12885	367.12933	-0.06007579	367.1288	1386	5902	3337	7885	2131	7246	0	5742	0	3078	3491	3037	4712	0	3302	5808	2001	6717	3195	2085	3272	2178	2069	4447	0	4377	1119	4696	5603	6035	2740	0	3344	19799	1688	3587	10041	0	2838	4175	4891	5470	0	0	0	3826	3756	0	8309	4438	0	3998	3200	0	0	0	0	3897	1971	3080	6411	2417	0	1319	0	6601	3223	1663	3131	2664	6879	20087	8759	4568	3971	3095	0	3636	2070	3164	1217	0	1540	1374	1870	0	3870	13399	3503	2972	3057	3518	4210	4399	1815	0	2753	3276	0	0	0	5912	2950	3491	1871	3144	0	0	0	3630	Phytochemical	0.25	0.9	0.1
10	C15 H23 O5 N2 S1 Na1	367.12982	367.13052	-0.44412574	367.12964	4375	7671	6176	3505	5563	3127	3124	2538	2197	13369	7777	2891	2697	2277	1624	4026	3110	4100	3355	12985	15740	5652	3818	4598	3541	28324	0	12443	3175	1951	2826	0	3006	4187	9599	1776	5129	2068	3595	8977	14627	2889	0	0	0	6031	15831	0	2257	3144	4086	5473	2190	0	3671	2763	2097	3633	0	3023	0	4808	3211	2943	1067	3463	2505	2434	22985	28336	31268	2220	1441	2927	2005	1928	0	0	4191	8820	2661	0	2722	9151	2304	1856	4827	2567	2004	9557	7041	0	7358	12607	9758	0	5026	0	2157	3842	2902	2705	3126	4270	0	3134	2568	0	3309	3054	Peptide	0.33333334	1.5333333	0.13333334
8	C22 H22 O3 S1	367.13623	367.13678	-0.03164049	367.13623	2835	3125	2159	2904	2508	2401	2219	2024	2672	0	3357	2899	2009	0	2632	4856	2139	1552	1627	1782	0	2987	1900	2773	2997	0	3862	2416	2613	3675	3769	3482	4552	3033	2485	1878	4432	3396	3875	1973	1983	2845	0	0	0	0	1465	0	3465	1528	4064	2730	1755	0	2580	1540	3414	4428	4731	4058	5197	2958	2627	3375	0	0	4464	4878	0	0	0	3454	3074	2566	113105	2889	0	3036	3631	0	3374	2470	3713	0	1957	0	3363	3218	2705	5446	0	0	1857	0	0	0	3673	3539	2813	4520	3917	4955	3587	3908	0	4485	4691	0	2659	2768	Organosulfur	0.13636364	1.0	0.0
6	C22 H22 O3 S1	367.13623	367.13672	0.048624866	367.13626	1177	2325	1095	1350	1389	0	1213	0	1088	0	0	1093	0	700	2030	3175	0	0	1651	0	0	0	977	1628	802	0	1790	0	0	1327	1488	0	1789	1870	831	1499	1894	1200	2109	0	0	0	0	0	0	0	0	0	1578	1580	1917	1235	1517	0	1290	724	1189	2038	2673	1746	0	0	1022	1592	2195	1176	3060	0	0	0	0	1077	976	1375	64768	984	0	976	930	0	847	909	1510	1674	1211	1170	1652	1617	1173	2482	0	0	1258	1469	0	0	0	1777	646	2024	0	0	1656	1931	0	1692	1220	0	1474	705	Organosulfur	0.13636364	1.0	0.0
12	C22 H22 O3 S1	367.13623	367.1366	-0.022767944	367.13623	4658232	5076700	4754716	4859117	3102087	2324342	3186700	4879572	4046594	7517356	4617956	2740852	3312964	751943	3328520	5093940	3422524	4383540	5004376	8133276	7966196	5342668	3972511	5018656	2744195	6177296	1622858	2050492	4362483	3870408	4102494	4320036	4639363	3705156	8805260	3905640	2174938	1767263	4004287	2845310	5824744	2557714	45431	12402	11024	4319976	4317568	11964	2397984	4391620	4981176	2584856	2888212	11524	5340504	2818525	2198736	4733596	4126704	1988894	2833774	3834304	4821976	3906252	1770260	3641522	2600277	3926872	3206464	8829100	8585328	3973092	1943112	3987704	3691141	2138176	7296	3319494	4350818	1249820	4308158	3406016	1752234	1789634	3388092	2307568	3913544	2299019	2814762	4163490	3254960	4425508	4588188	2919404	4309044	28168	4930148	5075496	3341156	2869667	2889856	4515596	2978708	2424468	1475678	3498398	3047929	10930	3043079	4882416	Organosulfur	0.13636364	1.0	0.0
6	C18 H22 O8	367.13873	367.1393	-0.15500464	367.1387	108590	125634	102152	55933	56126	27280	80598	65209	87610	119836	55450	42113	45599	20960	89204	64473	113284	81510	105374	66506	153140	63237	103342	157706	28706	87360	73438	31611	59880	128448	106892	124932	63211	45879	71093	124816	57038	90654	134474	85330	68553	71308	4217	2209	3630	121868	143540	2371	137588	64727	52701	55255	31214	3321	109452	37773	27983	124480	52902	68875	63134	84948	43692	42939	24018	39768	70242	66335	130622	122032	174204	98400	107636	116950	61194	113898	2787	79334	55519	25532	107132	88540	48615	30024	43401	63170	52201	53294	36285	62081	27606	41645	64833	42668	100598	4055	115708	111134	70396	81648	46221	120610	89120	144232	52974	99080	75148	2541	37702	46620	Phytochemical	0.44444445	1.2222222	0.0
20	C18 H22 O8	367.13873	367.13913	-0.09973929	367.1387	389891	404797	394691	333287	346079	347030	193431	377372	437450	620499	245587	235758	603880	207809	347071	329659	195299	569472	527855	585844	532550	390779	336981	374493	273285	377825	176788	219129	351189	305178	327894	334881	420377	331423	665690	302869	475040	269243	219946	474340	288606	227667	19288	9862	6619	336698	280636	8901	363216	303995	384102	385794	298559	7502	582950	333285	216949	355880	336893	172639	309100	300565	526871	470033	166702	429284	267398	219990	353024	679145	523268	348530	337196	332735	222413	342071	7041	294881	341513	172331	313615	219947	243757	284431	348136	221453	291935	226675	275062	206223	348331	372595	401298	211614	268827	11841	379992	370389	292282	317622	299641	347958	244306	345365	215947	313501	238375	9840	243073	666284	Phytochemical	0.44444445	1.2222222	0.0
8	C18 H22 O8	367.13873	367.13928	-0.1327645	367.1387	389058	415300	302868	381628	178764	156132	247074	419956	270814	476428	305830	149373	268216	63194	288566	427460	352506	254810	168734	277875	282623	439562	353860	503500	185100	214791	139972	122467	179580	370780	315320	191307	179738	296274	569352	342350	172163	293564	420922	400930	232099	204526	7646	2510	3755	208108	453582	2926	401500	386608	396810	365750	196544	3405	379412	240078	184396	368236	354906	198606	459294	148550	153163	293416	154796	228566	204048	400772	480678	532994	693112	367778	180890	357842	260756	403866	2850	139503	428302	113580	393436	146904	312772	260970	282806	84714	174198	176560	234434	416494	127887	165551	448654	278868	333882	5446	378864	402008	122983	257840	273116	339020	278486	255202	126916	166008	243808	2676	275132	152208	Phytochemical	0.44444445	1.2222222	0.0
24	C18 H22 O8	367.13873	367.1391	-0.11490922	367.1387	42440	41681	38578	39794	38413	38240	19855	41791	47372	59498	26752	29725	77701	25596	36097	39473	30626	68917	58949	54630	61887	45082	49321	53201	26094	27216	18275	20028	37350	33484	39919	33924	45936	33817	68327	38829	48610	29880	29052	43568	32639	23573	5200	4849	11521	38750	37255	5916	44693	36537	39629	43009	37490	5014	60833	48010	27384	44479	30479	19331	45199	31382	59255	49581	21753	55931	32516	27389	33669	63967	57070	44803	38878	36217	26402	33605	7631	33982	50964	18178	43173	28394	24859	24181	42014	27531	35528	25082	35197	29515	38785	36364	49840	19425	35094	6636	39805	39465	26676	43358	37450	40017	30022	33246	26621	35764	30284	3848	27892	66644	Phytochemical	0.44444445	1.2222222	0.0
14	C18 H22 O8	367.13873	367.13922	-0.020690141	367.13873	3874978	3732996	3521528	3792942	2786694	2276892	2406866	3468092	3697386	6679072	3699662	2280574	4072632	779156	2872062	3560100	2420706	4386906	4127116	6848470	6842860	4154490	3183192	3669864	1186367	5545636	2161982	1743671	3155018	3108940	2935122	1688729	1996177	2880984	8359580	3184850	3578008	2587278	2661008	5164276	3903798	2225158	43167	8518	6148	3464726	1528873	8017	3406152	3079618	3606728	3360708	1343416	9726	4856896	2620892	1912758	3758488	1638435	1249003	1842709	3221180	4242862	3802186	1585612	1722212	2408830	2551034	2400743	7996108	3385452	3168734	2993386	3259582	2391134	3225868	4350	2513694	3240666	1149930	3065242	2562682	2710946	3354104	2857542	950797	3094662	2106768	2520224	2911930	2995618	3235208	3756598	2514766	3422866	18271	3721806	3692854	2587908	2615872	2446224	3189042	2332364	3981272	1099773	1474212	2350184	7404	2364664	3851828	Phytochemical	0.44444445	1.2222222	0.0
2	C17 H22 O7 N2	367.14996	367.15063	-0.091301635	367.14993	42963	38119	35489	36277	76124	107505	64262	45321	56412	31377	38522	60526	69251	140263	49914	13380	119637	56853	43394	30270	58013	58002	62313	30037	15393	5869	8094	26718	44177	25778	45333	34468	134861	35135	56110	36296	50381	49934	150965	35953	50796	32877	500	0	0	24390	35570	0	36507	24882	34043	41593	81729	0	80313	32632	39112	43912	23854	36841	17197	22728	140262	54136	31954	81088	63014	353962	14309	20058	28841	35367	39667	34019	9508	33034	0	52243	47534	24465	46748	20473	19065	12814	40592	48251	62250	46121	35067	160168	32292	41215	69303	37378	16515	0	38356	40785	73058	39757	46549	35224	68693	33701	22492	47208	46832	0	44315	61180	Phytochemical	0.4117647	1.2941177	0.11764706
18	C17 H22 O7 N2	367.14996	367.1504	-0.14775239	367.14993	127274	128668	120399	120744	95222	81215	81896	122808	84535	147976	155600	74857	96410	65402	103138	131224	93516	110772	123084	159296	150953	122602	106474	140536	91212	299110	76585	558855	120641	99882	96153	110290	137017	104427	149526	104629	154238	82421	106184	146346	154252	73737	3067	1046	928	106361	96430	715	116649	99013	118764	129789	92241	1423	85722	68641	71765	132946	73563	86191	117223	93575	104913	79011	51285	104814	82186	108435	228608	266828	399874	95759	91649	101121	84315	108658	944	76314	123824	95774	118446	76966	86508	105988	94674	70464	125698	76823	85582	153274	193925	201384	173614	91386	119997	1589	127707	126272	83045	81534	86036	115580	77121	113884	56932	110723	71770	743	94087	97595	Phytochemical	0.4117647	1.2941177	0.11764706
28	C22 H22 O5	367.154	367.15436	-0.22393942	367.15393	6211	4750	4745	3875	6441	3470	2827	5726	5131	10004	7443	2613	7068	4712	2929	5191	5329	6564	7350	8783	10107	7357	4558	5895	2437	20304	3265	8546	4247	4589	4678	3373	4521	4195	10640	4353	5027	2367	4271	5870	9171	2551	0	0	0	5647	5191	0	4291	3869	4772	4964	5221	0	5294	4971	2578	6949	2933	2599	5191	3678	4982	3416	3378	9055	7620	4348	21739	18972	29980	3730	3662	3381	0	3725	0	2907	4705	6637	4044	4156	2620	6541	6687	2390	6537	2771	3659	5792	4222	4896	5830	4098	7893	0	5500	5243	3693	7583	5819	5007	2438	5719	3706	4616	3385	0	4631	6677	Phytochemical	0.22727273	1.0	0.0
26	C22 H22 O5	367.154	367.1544	-0.12795557	367.15396	20738	16005	18293	17730	22500	11346	4850	12793	17576	29279	38535	13467	25566	12334	8333	15742	8679	21393	24970	42965	34465	22023	13545	17681	7869	73841	4843	31351	13665	11994	11836	8677	12413	10430	37081	16886	16022	7830	11508	22786	36999	14959	0	0	0	19576	19307	0	11685	10466	22465	17186	16686	0	18112	15480	12143	14078	9710	10305	15310	16936	21063	17275	6494	23098	20435	12359	83852	56327	82132	10956	8268	8883	0	11458	0	8769	19179	20950	11520	17482	12150	25279	27227	9169	15995	13236	14026	15935	12697	11748	21841	25679	18717	0	17271	19655	16734	23383	20869	12357	8137	15970	9468	10199	12986	0	10452	20670	Phytochemical	0.22727273	1.0	0.0
22	C22 H22 O5	367.154	367.1544	-0.103880614	367.15396	124238	131303	105914	123929	119167	85020	48083	84635	102678	219539	219890	52988	100970	81261	71538	97553	76658	119310	134292	243354	241133	133343	80040	97098	72461	608611	49931	220649	83430	69827	79381	66030	96778	77619	246556	83728	104622	62258	76903	190346	216683	82749	3829	0	1189	121938	132424	2981	83616	81507	127175	123268	103176	1746	92441	93523	69906	93494	75130	78877	92597	137824	109173	76092	60190	121629	103560	75473	530400	514100	682451	76039	64946	62623	45613	72351	1140	58851	105293	111477	87959	100833	73324	159048	109699	83150	112353	81840	81694	108543	93759	101830	130664	120033	137637	4771	107040	114666	92806	100493	101357	96010	62165	96871	82923	88927	97987	0	75630	114296	Phytochemical	0.22727273	1.0	0.0
26	C19 H26 O5 S1	367.15738	367.15768	-0.1276115	367.15732	10829	7617	8362	6322	7567	6474	1533	0	3970	14919	5411	0	11423	4802	0	7602	0	7531	5498	16412	16953	11810	0	6034	0	14437	0	11362	0	0	3395	0	4740	4703	15245	0	6196	0	7489	12761	11767	0	0	0	0	8306	8934	0	4329	0	5088	7659	4623	0	0	0	0	9031	7346	6061	0	10485	3578	2960	0	10271	7238	3950	12212	23525	15348	3306	0	0	0	0	0	0	3904	7229	0	5713	6480	9539	0	0	4239	4507	5144	9839	25123	25852	8865	7119	14459	0	5187	6618	5918	5074	0	5524	0	11964	0	4593	5970	0	4914	7121	Organosulfur	0.2631579	1.3684211	0.0
12	C16 H22 O6 N4	367.16122	367.16156	-0.33666104	367.1611	8257	5533	7586	8877	3269	155271	32839	9869	10803	0	0	38227	2460	2518	23883	11535	28315	9199	8216	3724	3278	0	15612	9533	17322	0	32125	0	7723	6295	6765	4020	10691	5901	2688	3794	7933	21324	23961	2043	0	9600	0	0	0	4442	0	0	6503	5344	8043	3743	4878	0	6382	1178	11388	3988	0	0	0	0	1118	3618	15227	10957	9955	24208	0	2325	0	5776	6171	3649	9179	3805	0	14185	10673	0	8609	2590	2528	1304	5759	12783	20224	9522	5816	10879	3810	2056	11610	0	1845	0	6644	8432	15603	2313	2856	12779	24659	0	0	7414	1315	0	19886	0	Peptide	0.375	1.375	0.25
18	C16 H27 O4 N2 S1 Na1	367.1662	367.16653	-0.30222014	367.16608	15708	14881	13467	10860	10591	9287	9330	11546	8731	22091	16288	5920	15440	6709	8616	10722	7981	12837	19517	23779	28480	12535	12525	14612	8159	21412	7924	11810	9067	8183	10955	8212	16404	13066	27275	11227	10057	7863	10734	18118	14970	8268	318	0	0	9340	9104	0	10900	10291	12810	14131	9151	0	14523	7139	6548	13457	12468	7174	9787	8895	13629	13822	3700	10183	11726	8040	19724	36803	25836	9815	14549	9510	8530	9335	0	4987	12544	5850	7829	10029	7340	11881	10906	5244	9517	7385	9154	10393	13531	11269	11553	5453	12287	0	13035	15305	8398	6004	9470	9875	9551	9577	7465	11496	6476	0	10593	15364	Organosulfur	0.25	1.6875	0.125
28	C16 H30 O7 S1	367.1785	367.17853	-0.18810941	367.17844	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1510	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11910	0	0	0	0	0	0	0	0	0	0	52890	45103	0	1737	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.4375	1.875	0.0
26	C20 H30 O4 S1	367.19376	367.19412	-0.10238	367.19373	10834	10549	9926	9585	8622	3704	0	0	3218	13031	10467	0	6373	0	6398	9544	0	5288	6453	15373	13018	23298	0	5256	0	10121	2543	16066	0	0	0	0	4005	4773	12260	0	3985	3269	7550	17974	18859	8139	0	0	0	14770	26907	0	3598	0	7484	7572	7131	0	0	0	3239	10175	13567	10775	4579	10657	2319	0	0	11068	14330	7440	6302	9619	10394	0	2523	0	0	2542	0	0	5096	26835	0	14976	14303	13482	0	0	11302	4815	4102	18743	48769	54982	13118	23001	30467	0	7703	9086	4357	4716	6355	7521	3369	17877	17907	6556	6518	0	6965	3998	Organosulfur	0.2	1.5	0.0
10	C16 H30 O9	367.19626	367.1971	-0.052333944	367.19623	0	0	3852	5404	1670	0	4366	5860	0	2978	0	4788	0	0	3004	4766	5930	2194	2544	0	2506	4690	2440	6672	4428	0	6535	10095	5052	5636	3544	5702	6488	2898	2544	6438	7836	3042	6860	0	7543	0	1181	0	361	0	7754	0	3944	4086	4038	0	0	445	4018	0	0	4906	0	6022	21274	4534	4216	0	2124	2676	2938	9754	11407	0	16276	4434	0	2984	3732	4854	0	4526	4470	10408	2774	0	0	0	0	0	5454	3268	0	7970	15248	6644	6110	3637	0	0	4186	0	0	0	0	8198	3410	0	43347	4008	1544	0	3526	0	Lipid	0.5625	1.875	0.0
12	C16 H30 O9	367.19626	367.19662	0.03484622	367.19626	0	0	0	0	0	0	0	4872	0	0	0	0	0	774	0	4370	0	0	0	0	0	0	2690	0	2512	0	0	0	0	0	5096	0	1762	0	0	4022	3138	2202	3828	0	0	1986	928	1239	567	0	0	688	2926	0	0	4180	0	851	0	0	0	3700	0	0	0	0	0	0	1406	0	0	0	0	0	0	0	0	0	0	0	472	0	2990	0	0	0	2444	0	0	0	0	0	0	0	0	0	0	0	0	747	0	0	0	0	0	0	1892	0	29105	3494	0	1159	0	0	Lipid	0.5625	1.875	0.0
28	C25 H27 O1 Na1	367.20325	367.20337	0.17219982	367.2033	0	0	0	0	0	0	0	0	0	0	0	0	0	5946	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	841	0	0	0	0	0	11086	0	0	0	17653	0	0	0	0	0	0	821	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4036	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.04	1.08	0.0
10	C19 H30 O5 N2	367.22275	367.22318	-0.2670312	367.22266	8618	9902	9562	6953	3203	3849	3859	13908	1790	6652	1646	8836	1992	1517	8735	13555	9402	4916	3858	7568	5339	9818	8728	17182	8881	3069	6091	3494	12119	9755	8250	11530	15612	9196	7982	9251	14391	10539	7373	7035	2857	1659	0	0	0	9678	2166	0	13518	10434	5944	7555	3780	0	13150	1552	1932	20340	0	0	14826	3516	3320	7140	1411	3827	4568	11813	0	6533	3298	11321	7862	8409	7515	12985	0	8630	8627	0	7475	845	843	3153	2386	1001	8320	4443	6032	21576	18906	9656	20912	3925	6079	0	7408	6732	0	1594	926	13355	8945	8603	0	13740	1569	0	6343	1908	Lipid	0.2631579	1.5789474	0.10526316
16	C19 H30 O5 N2	367.22275	367.22302	-0.19166005	367.2227	3200	3582	3170	4037	1862	0	5173	5775	1473	1642	0	6466	0	2081	6151	5707	8100	0	1990	2007	0	6832	3597	4870	2299	0	7085	0	4637	5174	1700	3860	7166	3672	0	4044	4637	4494	9468	3742	2091	2709	0	0	0	1563	0	0	8358	4600	3974	4460	1849	0	0	0	1735	9608	1356	3745	0	1924	0	0	865	0	2407	5912	0	2360	0	2881	2376	5831	6097	4222	0	4692	3196	5520	2000	1305	1796	1415	0	1340	8897	1517	1334	60286	16958	10256	0	1369	1696	0	0	5988	0	0	0	6515	4156	3693	0	0	1664	0	3450	0	Lipid	0.2631579	1.5789474	0.10526316
14	C19 H30 O5 N2	367.22275	367.22305	-0.26380602	367.22266	4569	0	3645	3517	1465	1351	0	6329	0	0	0	3623	0	0	1585	6190	7523	2289	1904	0	2942	0	3323	5058	3924	0	4562	0	7230	2631	1953	0	5912	4241	3025	4194	3481	3412	8214	1518	0	1601	0	0	0	3145	0	0	5678	4277	2859	4472	3350	0	0	0	1723	7805	0	0	0	0	0	0	1048	0	1222	7158	0	0	0	3456	1265	3505	3259	3631	0	2057	2533	0	1900	1470	1717	1512	0	0	4458	3041	2495	21032	7829	4195	9654	0	2286	0	3885	2542	1314	0	0	4261	2783	3794	0	4239	1258	0	3226	0	Lipid	0.2631579	1.5789474	0.10526316
16	C16 H34 O5 N2 S1	367.2261	367.22687	0.028307414	367.22614	2661	2513	1553	3905	0	0	3596	1559	2120	0	1646	1913	1796	1326	1883	4317	13924	3702	0	3037	0	0	1783	1527	2401	2097	5259	0	2307	3872	1857	0	3336	0	0	2427	1611	3065	14370	0	3092	1892	274	0	0	0	2033	0	1523	4429	3306	0	0	0	4356	1112	1730	3332	1255	4793	0	0	23296	1963	0	1601	1692	10365	0	2478	0	3278	1968	3238	6542	5087	0	3829	6820	0	5813	1620	183341	0	2955	1042	7092	1422	1135	0	0	1929	0	2581	0	0	4016	3185	63299	3876	2046	3717	3448	1649	0	0	2716	0	2778	0	Organosulfur	0.3125	2.125	0.125
18	C24 H30 O3	367.22678	367.2271	-0.2618025	367.22668	13600	9479	7998	11007	10423	3327	19063	10092	11047	6571	7740	9826	2947	5383	12252	18192	35751	5526	8423	4085	5783	4874	8887	12194	9623	12071	20341	4931	5137	15967	8648	13611	10775	5042	4266	18426	8309	12617	43525	2921	8806	8448	0	0	0	5100	7863	0	13747	12014	8488	7595	7265	0	9376	10920	10613	20028	6767	16118	11044	3349	4800	6720	8883	5507	7194	43032	10572	5990	12800	4414	7685	13607	35770	15292	0	10526	21733	7523	14574	3651	11335	2621	10429	10022	17212	7330	7437	35687	7584	8320	15593	6394	4287	0	14517	11886	9907	14956	18235	16482	10454	12664	5001	7844	11740	0	17532	5075	Phytochemical	0.125	1.25	0.0
14	C17 H34 O8	367.23264	367.2331	-0.23989941	367.23254	9518	12690	10103	11591	2170	1633	0	8983	0	12836	6299	0	0	1601	0	12943	0	0	0	11192	2437	0	1969	4097	1168	0	0	0	3867	2525	21700	103453	7023	8600	1985	4017	8700	0	0	18087	0	1210	4629	1308	892	10095	28868	1361	46533	5896	11205	11478	1204	2854	0	0	1862	9698	11025	0	0	2466	2682	54855	0	0	0	2222	0	41998	4712	11448	11813	2907	5974	18884	951	1170	0	0	0	0	0	0	0	0	0	1723	0	0	30837	0	2071	0	7729	1356	13274	7022	1365	0	0	0	6485	740088	74349	2271	0	1176	0	0	Lipid	0.47058824	2.0	0.0
26	C25 H34 S1	367.2454	367.24576	0.19667196	367.24548	32297	24725	37981	29418	33147	83211	0	13749	0	0	3968	0	5425	69764	0	7099	0	16545	16259	7967	0	0	0	0	0	0	4746	14675	0	0	0	6027	0	0	0	0	0	0	0	8338	0	102361	0	0	0	8991	0	0	8400	0	34144	34060	22722	0	0	90767	382546	4411	0	0	0	0	0	0	506898	13729	72974	0	0	12404	0	12557	0	0	0	0	0	0	0	0	0	0	0	0	197392	792904	0	201662	54811	0	63068	162215	0	0	0	5486	34766	29717	56269	192241	598064	0	0	0	0	0	793292	6795	0	0	Organosulfur	0.0	1.36	0.0
24	C25 H34 S1	367.2454	367.24588	0.19207987	367.24548	22830	19050	21486	16220	17502	51925	0	13023	0	0	1828	0	0	63931	0	3375	0	6525	6407	9099	0	0	0	0	0	0	0	16184	2700	5069	2774	4634	0	4217	0	3520	0	0	0	6768	0	67350	0	0	0	9747	0	0	9530	5056	21229	18477	12503	13830	0	56910	308676	2412	0	0	4396	0	2233	1232	559389	9109	50171	1717	0	11604	0	12714	0	0	0	1518	0	0	0	11143	0	0	0	0	109627	0	0	83793	36466	0	27744	73549	0	1292	4846	0	19658	17955	44319	0	396384	0	0	6288	0	0	570615	0	0	0	Organosulfur	0.0	1.36	0.0
20	C21 H34 O5	367.2479	367.24823	-0.23549958	367.2478	19484	17525	14797	20015	12075	7957	114310	15566	5766	3833	5320	8148	6192	22836	13608	17312	30951	9365	9848	2823	5001	9199	7035	9328	18567	32002	102247	13077	17330	15034	9392	19204	11354	13878	2944	20912	16187	12041	36256	2706	8008	10720	2091	0	0	4704	3823	0	14410	7492	18173	16627	10760	278	8134	10227	11261	19009	4746	9486	23590	1155	13052	5307	28508	15698	20650	26749	2717	3086	6185	9089	11633	20374	39476	13820	313	7661	13247	20799	6598	7129	140560	132602	18427	15990	29153	10545	9495	33973	24529	14152	22887	5260	5527	563	20153	18343	9405	10341	34132	19749	7302	10266	4650	14940	18540	0	18991	4874	Lipid	0.23809524	1.6190476	0.0
18	C21 H34 O5	367.2479	367.24823	-0.18245119	367.24783	2967	2879	2281	5243	0	0	25241	6050	1136	0	0	2047	0	5353	3320	3793	7801	2360	2824	0	0	0	2060	1679	4363	2106	18964	1507	4046	5634	3424	7236	6519	0	0	6859	6209	3353	8231	0	0	1467	348	0	0	0	0	0	6604	4566	4397	2455	2158	0	1988	1259	2061	7827	0	0	5325	0	0	0	6062	3524	5078	13831	0	0	0	0	5626	3960	15388	5678	0	2757	2786	5620	1650	2540	24235	29504	5443	4561	6318	0	2445	11564	0	2758	5933	0	0	0	2997	3420	0	5018	9708	8866	1511	2319	0	3998	2480	0	4808	0	Lipid	0.23809524	1.6190476	0.0
8	C20 H34 O4 N2	367.25912	367.25964	-0.08162967	367.2591	1251	0	1067	0	0	0	0	0	0	0	0	980	0	0	1093	2039	0	0	0	0	0	2804	0	0	3990	0	0	0	0	0	0	1876	0	1041	0	1235	0	589	847	0	0	0	0	0	0	0	0	0	0	0	1475	1412	0	0	0	0	0	4101	0	0	0	0	0	0	0	0	736	1648	0	0	0	0	0	0	0	0	0	0	1965	0	1110	0	0	0	0	0	6253	0	0	7251	0	0	27943	0	0	0	950	0	0	0	0	0	0	0	0	2952	0	0	2166	0	Lipid	0.2	1.7	0.1
22	C25 H34 O2	367.26315	367.2635	-0.23918524	367.26306	5241	4160	4011	3446	2025	0	7890	5721	2943	0	1484	5183	0	0	3199	7205	29581	0	2951	0	2130	2029	4946	3194	8295	1632	7325	0	5455	8394	4365	5545	5734	1835	0	7585	3894	5050	24970	0	0	2609	0	0	0	0	3056	0	4155	6128	4497	5957	5410	0	3550	6444	6662	5494	1064	7634	5156	0	2019	3381	5366	0	3074	24528	1554	2052	5738	0	4166	5832	14839	7307	0	3818	10592	2415	4176	0	4612	0	9043	4116	10822	1961	4158	29022	2725	0	5291	3049	0	0	5624	4697	5960	9379	6480	4878	5209	3848	1738	4422	5421	0	9504	0	Lipid	0.08	1.36	0.0
24	C22 H38 O4	367.28427	367.28458	-0.18519798	367.2842	9998	11091	11183	11798	2477	2574	239720	3946	978	2907	11913	3942	1462	59990	3236	5046	30627	0	0	2392	0	1941	0	1331	4231	19608	230128	24793	3671	7865	3268	6769	2743	5284	0	10742	1402	2603	42357	1042	9692	2685	2434	0	0	3814	4714	0	3516	4635	10530	7842	1439	0	0	3808	4797	4016	1184	11190	13310	1744	21169	0	42556	6899	13880	12622	2569	3985	6093	3060	9524	18831	10041	8577	0	1946	4966	21690	0	10707	44866	56263	0	0	17079	2906	2380	14135	18699	12874	4189	3012	3982	0	10950	9219	5683	1262	0	3198	2829	6848	4796	2042	0	0	5166	2408	Lipid	0.18181819	1.7272727	0.0
22	C22 H38 O4	367.28427	367.28467	-0.26732147	367.28418	0	0	0	0	0	0	91494	0	0	0	0	0	0	4528	0	0	2426	0	0	0	0	0	0	0	0	0	100527	3877	0	1160	0	0	0	0	0	1370	0	0	1776	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1651	0	3131	0	1428	1784	0	0	0	0	1095	1115	2729	0	0	0	0	2005	0	0	6596	13141	0	0	0	0	0	4160	0	0	0	0	0	0	0	2069	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.18181819	1.7272727	0.0
26	C23 H42 O3	367.32068	367.3208	-0.34739703	367.32056	2823	0	0	2640	0	0	81705	0	0	0	6709	0	0	33857	0	0	0	0	0	0	0	0	0	0	0	9811	72776	13201	0	0	0	0	0	0	0	0	0	0	0	0	2204	0	0	0	0	0	0	0	0	0	2982	3778	0	0	0	0	3236	0	0	3964	0	0	4400	0	38897	1326	2198	0	6466	0	0	0	0	0	0	0	0	0	0	10452	0	4950	9003	10432	0	0	0	0	0	0	1403	0	0	1981	0	0	0	0	6728	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13043478	1.826087	0.0
16	C15 H13 O10 N1	368.06122	368.06168	0.02019296	368.06122	3040	5221	3094	2176	12726	7212	0	0	13504	1906	1599	4064	19629	4137	1625	3238	4378	17304	12256	0	0	7430	6370	1641	0	0	1901	0	0	0	1123	0	2989	0	2687	0	2139	2499	0	0	5269	5239	260	0	0	0	2028	409	1822	1561	4600	5188	8729	0	8760	8403	3786	6508	0	1443	0	1831	25891	22819	3757	13655	3814	4717	0	0	0	0	0	0	0	0	0	1224	4708	7271	4045	1470	0	0	10490	3490	5250	6635	5274	0	0	2164	0	10861	3953	0	4994	3605	5238	11412	17403	3316	1829	0	0	0	7587	0	1081	37979	Phytochemical	0.6666667	0.8666667	0.06666667
14	C15 H13 O10 N1	368.06122	368.06177	0.02873869	368.06122	3105	5427	2505	5622	13271	4183	0	1333	19807	3411	5834	2758	34031	3228	3431	0	2860	12089	17552	1614	7072	12910	5451	0	0	0	0	0	0	0	1152	0	3619	0	5519	0	2690	1273	1753	0	7903	7885	0	0	0	2128	0	0	0	0	3899	3548	9378	0	16373	14862	4506	0	0	0	0	0	35305	24606	4659	18794	6998	2648	0	0	0	1018	0	0	0	0	0	2555	3672	0	2212	0	0	0	16928	4378	2902	5191	7943	10513	0	2176	5219	13758	4961	0	4590	4297	8988	17516	15447	0	1633	1851	0	5319	10048	0	1205	40144	Phytochemical	0.6666667	0.8666667	0.06666667
10	C15 H13 O10 N1	368.06122	368.06177	0.04431583	368.06125	2414	3234	1644	2612	9761	2257	0	0	10933	0	3204	0	18124	3148	1107	0	0	7109	8375	0	4452	6603	2219	0	0	0	0	0	0	0	0	0	2468	0	2547	0	2496	0	1579	1907	3102	2470	0	0	0	0	0	0	1156	0	4418	3369	5175	0	13857	9404	2790	0	0	0	0	2432	24594	17888	2431	10008	3418	0	0	0	0	0	0	0	1771	860	0	1326	1612	0	0	0	0	0	9763	1235	891	3764	3614	1367	0	0	0	10042	3253	0	3384	2678	7752	14051	6726	2636	1728	0	0	2344	5113	0	0	24828	Phytochemical	0.6666667	0.8666667	0.06666667
12	C15 H13 O10 N1	368.06122	368.06174	-0.037677836	368.06122	3718	6517	5146	4873	13772	5108	0	0	13664	1863	4001	1946	25578	3471	1155	0	3144	14541	16230	0	5206	9084	3007	0	0	0	0	0	0	0	0	0	3765	0	4833	0	2134	1575	1603	2816	7556	4702	0	0	0	0	0	0	1364	0	2271	2907	7612	0	15261	14538	5975	1516	0	0	0	1645	36157	21313	6245	18434	4301	0	0	0	0	0	0	0	2052	0	0	2038	2488	0	2307	1120	0	0	13092	2324	4144	9170	4979	5898	0	0	2783	11246	4594	0	4489	8035	11188	15439	8685	4415	1827	0	0	2613	7137	0	0	39967	Phytochemical	0.6666667	0.8666667	0.06666667
14	C19 H13 O7 N1	368.07648	368.07703	-0.04076098	368.07648	5488	2643	0	0	2901	1356	0	0	3012	11902	4912	1249	5319	2413	0	2986	0	2735	4956	8549	10112	13617	1534	0	0	16708	0	0	0	0	0	0	1901	0	13637	0	0	0	1165	9929	11604	1116	0	0	0	3800	4104	0	0	0	2000	2836	2121	0	4098	3530	1442	0	0	0	0	3785	6360	4124	1101	2957	0	1826	0	17102	25063	0	0	0	0	0	0	0	2814	0	3364	2333	0	3963	7439	2690	1414	2181	1529	4777	0	0	3317	8590	9925	0	4110	1773	3270	4205	4388	0	0	0	0	0	2757	0	1081	4115	Phytochemical	0.36842105	0.68421054	0.05263158
16	C19 H13 O7 N1	368.07648	368.07693	-0.01794047	368.07648	4583	4957	5429	5893	5152	0	1541	0	7571	14904	11822	1321	7398	1784	0	0	0	4946	5033	5685	12293	13006	2661	1925	0	14298	3075	9178	0	0	0	0	3127	0	21343	0	2344	1341	1341	7444	11802	3020	0	0	0	7486	10417	0	0	0	5532	3706	3131	0	4489	3574	1897	1973	0	3003	0	4896	11096	4893	2298	4283	2913	1928	19059	15455	34457	1271	0	0	0	0	0	0	5619	13002	2950	8856	1542	5395	4742	1527	4546	3300	2522	0	0	5902	0	22552	11750	0	2662	5564	5117	6667	9546	0	0	3130	4082	0	2041	0	1472	5656	Phytochemical	0.36842105	0.68421054	0.05263158
18	C19 H13 O7 N1	368.07648	368.0769	-0.0903655	368.07645	7502	7709	6700	4023	4634	2069	1448	1823	4740	15332	12561	1654	5392	4079	2373	3606	2141	6171	12294	6948	8298	17291	4255	2338	2086	16361	2469	4429	0	0	0	0	4112	0	22275	0	0	2210	2256	10219	24066	2704	0	0	0	8683	15292	0	3177	1572	7446	2888	4030	0	5834	3035	4687	1970	1884	6492	3890	8794	8384	7210	3380	13011	3075	4150	22104	16628	32035	0	0	0	0	0	0	1116	6037	17504	5189	8157	3828	11901	6226	4392	10418	6478	5069	10548	6547	4770	4220	24680	26733	0	6484	4436	4713	10006	5332	2349	1385	2282	7133	3228	2181	0	4168	10515	Phytochemical	0.36842105	0.68421054	0.05263158
20	C19 H13 O7 N1	368.07648	368.07684	-0.11710101	368.07645	6493	6713	7392	7927	5588	2594	0	0	5908	11028	16375	1886	6490	2402	2224	2808	0	7164	5294	2628	12886	17840	3603	3386	1813	4935	2160	6250	0	3022	1701	1613	4314	1811	8085	0	3337	2333	4885	7743	21228	3002	500	0	282	6945	17074	0	1937	0	5026	9100	6110	303	6304	4922	3299	2087	1162	5302	1748	7746	11920	7371	5758	9422	5809	2897	11175	13746	28709	1284	0	0	1514	0	0	2177	4355	20467	4252	6722	1749	0	4774	4925	5777	7975	3081	9622	5627	4318	6549	27811	17416	506	6705	3788	5756	4458	7615	1740	1055	3797	4848	4721	4284	0	4378	7258	Phytochemical	0.36842105	0.68421054	0.05263158
16	C16 H17 O7 N1 S1	368.07986	368.08032	-0.002636144	368.07983	13309	11904	10929	12129	8340	6115	2285	2702	6865	39730	19014	2585	11107	3574	3537	2614	3986	12969	10492	27593	22757	40221	3413	7199	4127	13176	2697	16294	3719	2207	2486	3359	6018	2118	44762	3400	6485	2617	5375	43351	31424	4493	0	0	0	12585	16512	0	3899	1230	13679	10879	10332	0	8789	6096	4291	5370	9521	11503	0	26481	9948	8881	0	6951	5173	6853	21349	32225	24163	2142	1501	0	0	1396	0	2730	4307	29762	3844	11575	9319	23635	6555	3684	4891	7020	5075	0	26812	31674	0	38937	54348	0	13517	11976	5272	6087	4989	5981	2449	9180	7837	0	7108	0	4919	15960	Organosulfur	0.4375	1.0625	0.0625
18	C16 H17 O7 N1 S1	368.07986	368.08032	0.02056427	368.07986	4814	10198	6538	6421	7978	5595	0	2225	3160	21925	13441	2177	9408	2234	3248	2751	0	7979	6955	7602	11644	30673	2297	3472	2863	5587	0	6737	0	0	3081	0	2045	0	25983	0	3752	0	1562	22015	19560	3961	345	0	0	4995	5435	0	0	0	7809	6093	6197	0	8078	3441	2950	4496	4344	5938	4430	21387	7646	4140	2595	5331	3406	2708	14153	13326	13344	1186	1255	0	0	0	0	0	3195	20018	4009	7140	5789	15148	5284	2807	3543	2180	3290	5849	18383	19969	7419	25152	30611	0	5768	5704	3032	3642	2549	2551	0	4055	7799	3968	2720	0	2095	8772	Organosulfur	0.4375	1.0625	0.0625
8	C16 H17 O9 N1	368.0976	368.09814	-0.06814967	368.0976	88125	91920	69083	81350	64783	46890	29564	52551	109114	131533	123652	51167	144564	25158	39469	62467	73092	106636	104538	117247	194120	159675	58160	58299	14964	16405	28945	42063	37468	36797	45530	44413	67932	42256	195515	40595	66272	40760	77348	132750	236946	60943	1095	0	275	69223	127162	0	52377	51242	84190	87368	67538	0	141772	84701	51812	47713	50523	75354	69783	109254	187780	146590	51551	102438	61480	78649	67132	39279	101055	49281	49206	38906	43611	43808	0	37861	55852	72228	42981	43444	27270	34050	95291	36839	47870	71240	64079	85706	25224	57678	86998	144442	123945	413	85272	86456	77360	100025	84840	70506	41858	71570	74926	58997	75904	0	25792	180464	Phytochemical	0.5625	1.0625	0.0625
10	C16 H17 O9 N1	368.0976	368.0981	-0.038288906	368.0976	144168	139261	124879	126414	124783	82721	52146	96253	165417	264537	202127	96093	232306	45603	71828	102387	111649	195305	193811	185708	312736	287012	91600	106095	27432	28727	57933	69181	79959	73429	77228	84532	132561	78475	351344	77396	124868	67635	117712	219004	345596	94425	2826	594	549	126290	214300	0	94078	80861	136893	151169	113477	412	223747	140100	65928	100322	84059	132753	123625	187125	251887	218195	71602	179791	105343	130864	130338	75584	154071	78535	76260	63082	98059	72249	0	66807	86590	137991	77940	88452	45191	52430	130055	66284	83130	107338	93256	132968	53817	105048	134409	273134	258844	654	135672	142233	112136	135568	123273	122498	85755	102416	141787	113601	107319	0	45250	305501	Phytochemical	0.5625	1.0625	0.0625
18	C16 H17 O9 N1	368.0976	368.098	-0.12826571	368.09756	41926	38600	35445	32444	46452	40660	16305	24305	43149	70104	33927	20057	98832	24055	27358	21850	19120	74848	73970	34795	55204	82922	35391	29401	16560	6310	15869	14240	24398	17813	22174	16294	36146	18918	72405	17502	36130	26164	22947	48332	50255	36368	2927	571	1318	29299	39777	1044	20360	18083	36764	32795	42281	1085	78940	40587	25224	25014	24523	20392	32177	44604	85615	71127	24976	63841	38218	15759	26439	12542	23081	24015	16894	10843	16337	14274	865	20841	28101	49017	30342	24719	7557	14619	60110	36227	29167	32263	34806	22443	17571	29459	46423	69415	66193	1003	34562	43791	35133	39173	39532	30524	17325	20435	26937	31987	33751	1157	16710	97645	Phytochemical	0.5625	1.0625	0.0625
6	C16 H17 O9 N1	368.0976	368.09818	-0.12481058	368.09756	29315	36244	26274	34414	32368	15516	9385	19341	48432	55576	51076	17134	63761	10912	12041	23782	25025	49908	44096	39391	67067	45623	21854	27252	6322	6184	10311	9363	17317	18851	14371	20537	28343	15640	61411	18212	27108	14808	27939	33836	73425	21962	0	0	0	22311	46290	0	18467	18707	23873	34109	27055	226	57362	43263	21687	21609	18464	30590	21026	32603	83899	58721	20648	45103	29040	36168	21432	15392	35038	17094	13510	13972	13952	15278	0	14415	18325	17927	13868	13760	8329	10478	43547	21675	17260	28923	26412	33448	8598	18240	30597	44563	33339	0	30086	30832	28358	45283	41913	32220	18302	25296	20958	29150	35158	0	10781	90596	Phytochemical	0.5625	1.0625	0.0625
4	C16 H17 O9 N1	368.0976	368.09824	-0.14269374	368.09756	5599	4630	4853	5022	8293	3206	1302	3165	10200	5588	7656	2953	16202	2628	2995	4217	4249	9772	8973	5154	10061	8507	4452	5861	442	1506	1742	0	2558	2205	2681	3281	5000	3065	8513	2928	3440	2539	6277	4752	10046	3782	0	0	0	3231	5902	0	1961	3313	5096	5942	5897	0	12488	10934	4818	3522	3384	4298	3809	4494	20299	12813	5724	10270	5571	6221	4676	2613	4601	3775	2233	1627	0	2031	0	2244	3604	0	3088	2494	1470	1409	10769	4095	3253	6291	5417	6950	0	1733	5072	6438	4924	0	3964	6088	9642	14310	12050	5132	2676	3881	0	5087	7386	0	2163	18756	Phytochemical	0.5625	1.0625	0.0625
16	C16 H17 O9 N1	368.0976	368.09805	-0.09069104	368.09756	79545	83768	76848	71299	93793	70735	29916	37102	112305	167536	82586	40780	169453	42157	46951	47270	40146	161903	134275	102429	147444	185472	76689	47236	26469	14396	32122	46097	43112	34748	40179	37540	67053	38751	215906	32343	70001	41789	50390	93107	112569	61575	3901	882	1474	58199	93137	1530	52254	35539	79381	86226	74012	1209	137293	77383	50368	56238	47348	41241	69892	97130	164412	116200	39889	110518	66678	43625	53704	34317	54203	38098	30999	37774	36211	35084	949	39447	59840	120551	37351	56890	24042	40089	93210	55461	55040	65109	69493	54644	49538	67531	90680	132608	134611	1323	76471	78210	56664	70785	84013	68010	36790	46175	58478	73841	66243	726	35216	189854	Phytochemical	0.5625	1.0625	0.0625
14	C16 H17 O9 N1	368.0976	368.09808	-0.06119593	368.0976	113832	123463	117113	122164	127652	112259	56597	79413	157956	275813	156051	66614	264281	61523	66856	86017	79808	213532	174186	173439	259971	334353	103181	94615	47775	25922	40621	72178	66544	65373	65586	64801	120345	63861	378406	65207	112986	64751	73895	189091	218042	92591	4058	570	589	107712	174579	843	72496	68346	108459	117703	118961	797	213883	127372	65082	98895	99901	92733	91378	167477	256231	192980	65698	170005	101408	82332	98010	60976	84426	61866	61082	52537	55790	61200	436	64927	85075	176672	63935	86609	41395	57738	125071	78866	79783	97001	99917	118117	63954	107655	153162	246847	228529	1070	129250	116366	99860	125559	124599	116516	67121	111512	116912	101467	105481	1032	50330	282157	Phytochemical	0.5625	1.0625	0.0625
22	C16 H17 O9 N1	368.0976	368.09805	-0.066312976	368.0976	7380	13064	8454	9350	20468	12226	0	6210	21444	8894	9826	7662	21570	0	10976	5958	5018	25092	21288	8424	10584	21492	10050	7654	5530	0	2204	3230	3030	0	5522	0	0	4656	10942	3840	6696	6990	4638	6176	20588	7050	0	0	2304	8116	14746	0	3968	3992	11604	6846	13120	2398	22944	18942	8056	8476	5136	5610	8058	14118	35266	25764	7438	11454	9672	6136	8289	6982	6370	3132	5312	4958	3306	5860	2242	5068	6102	14012	9100	7310	0	4716	27546	12588	12642	10018	8246	5832	4406	0	10100	24838	20394	0	4956	9414	8982	19438	9692	4862	6112	6202	9496	5360	11406	0	5014	35162	Phytochemical	0.5625	1.0625	0.0625
12	C16 H17 O9 N1	368.0976	368.0981	-0.046435587	368.0976	157635	156676	149149	151646	135312	97286	59242	100536	181317	320874	212671	85690	240546	53104	79926	94525	120019	224534	236410	250360	357478	443560	108401	107407	38801	34028	52432	94981	70309	79483	88158	81268	143490	83964	457102	83640	121554	81987	121560	240993	378853	102869	3528	0	544	145870	219474	548	86804	91214	147309	157245	122804	700	271818	136684	77948	103239	108692	155331	109775	234704	310532	222029	63460	189883	114004	121949	169318	75871	134539	81148	78130	67404	77387	79394	503	87155	98458	208998	83578	107999	55998	78947	146370	79740	97070	98078	118493	150442	75469	144516	161097	335049	286243	849	158078	164445	123958	123962	125377	137684	77742	99135	138691	118969	123243	453	46057	356834	Phytochemical	0.5625	1.0625	0.0625
6	C15 H17 O8 N3	368.10886	368.1094	-0.12830125	368.1088	14626	15724	12968	15021	16217	8890	7239	14044	16138	9076	8702	13701	24000	5454	11488	15141	15966	21733	25565	8898	13462	20829	13868	19121	4434	0	7757	0	9676	8826	12508	11607	16555	8985	15438	12485	16792	11114	18698	10379	17788	12197	0	0	0	10018	17241	0	14146	10814	16904	16078	14885	0	19360	15780	10481	14408	8818	16201	15827	9064	36111	17723	10286	23174	14101	21310	0	3437	3926	12490	11331	7973	8934	8522	0	8772	10019	3425	8675	4843	4679	2313	19822	9070	11310	21663	14778	27175	3934	10593	30788	12241	8264	0	13615	16728	8454	15361	15755	17995	13734	13699	7686	17842	12088	0	7973	33644	Peptide	0.53333336	1.1333333	0.2
12	C15 H17 O8 N3	368.10886	368.10925	-0.16176859	368.1088	32722	22320	28860	21482	26852	15284	14944	24212	28294	76344	51360	16008	29968	12794	14282	14832	26656	35118	39878	48222	63202	55532	19774	21096	15092	105416	14192	35470	14740	11542	14740	9886	23576	12170	75194	7948	18748	18602	22836	41616	48724	13560	0	0	0	26912	41424	0	13004	10644	24494	18740	21698	0	35676	12950	13742	24096	0	0	0	28918	42650	30726	15382	32764	19992	13278	110340	132934	200880	8200	8892	7994	10820	8300	0	14072	27884	0	22256	27158	9726	32493	22900	18296	31008	22544	24222	34180	17150	24684	36284	50254	46430	0	28168	18134	29536	18146	14316	22098	14162	14704	0	24706	14570	0	16262	47784	Peptide	0.53333336	1.1333333	0.2
18	C20 H17 O6 N1	368.11285	368.11328	-0.060242075	368.11285	16581	15181	18539	19735	14608	4988	4878	3781	9488	56444	56247	3754	10674	10097	4210	9363	5100	7926	11166	38217	42304	26582	7994	7624	4012	87575	4374	46019	0	2509	2781	4345	3597	0	46816	0	10363	5273	5700	42522	60669	7626	354	0	0	26855	37269	0	4749	3239	14643	18100	7864	0	8612	9322	6303	7499	3072	7175	5937	28487	9315	9177	5307	12831	7085	7018	103185	97372	152313	5730	1511	1423	3795	0	0	3316	10308	41261	8508	20809	5396	26208	13967	4976	10031	9586	8036	18193	14079	14231	10470	39337	50434	0	20941	16377	13841	8047	7885	9850	3564	10274	12210	7049	8437	0	7722	10689	Phytochemical	0.3	0.85	0.05
16	C20 H17 O6 N1	368.11285	368.11325	-0.18044712	368.1128	12954	13387	21428	18598	10034	5292	4508	5229	10854	55527	44293	4868	10045	6198	4519	10486	6879	7496	12701	35198	48594	23801	4749	9400	3834	79860	5243	33508	3801	4369	5477	4644	7808	5215	51593	3828	5520	3354	9025	38550	52245	4296	352	0	0	20832	28771	0	6769	4310	15284	12731	9514	248	6709	7313	4236	7168	2581	8743	0	20961	14182	11333	2866	10880	7138	7311	77697	103668	129336	4588	2203	3138	6219	4206	0	3398	10298	37982	5092	17161	5640	22816	12443	6509	7269	7738	5645	24791	11380	10653	0	35231	46063	0	19722	13815	7409	6069	8425	6215	2078	4898	9294	0	6636	0	4775	11384	Phytochemical	0.3	0.85	0.05
14	C20 H17 O6 N1	368.11285	368.11337	-0.07554124	368.11282	8736	13118	7245	11042	8807	4149	0	3764	9445	33583	32652	3621	6046	4888	3155	3946	4643	7971	7955	20390	38207	15032	5555	4009	3134	73617	2298	16803	4413	1636	0	0	5156	1762	34261	2471	2573	3035	4660	23594	34401	3465	0	0	0	12107	17537	0	1945	3036	9618	10346	5545	0	5437	5130	4418	5894	0	5380	0	13232	7860	5925	2718	5482	4601	4265	69098	79545	91551	0	1548	1611	2030	0	0	1129	7186	23135	4865	11018	3930	13954	8034	3251	9846	5488	4518	12106	13690	9267	8258	22535	30618	0	8219	9884	5317	7283	6417	2993	2524	4574	0	5614	5058	0	4055	7258	Phytochemical	0.3	0.85	0.05
20	C20 H17 O6 N1	368.11285	368.11325	-0.12483852	368.11282	10362	16549	14668	13944	7995	6620	3308	4292	7703	44077	42456	2247	8131	5136	3404	2913	6379	6631	9992	25218	41113	22326	1755	4755	3203	62414	3871	28868	2298	3003	2074	3472	6738	3585	45115	3489	6256	3274	5740	33050	51570	7562	582	0	0	20901	35421	0	4371	3220	10136	13166	8485	0	6707	5126	6025	7002	4130	7692	4819	22160	11877	5470	5445	7980	6824	7112	65600	62852	102105	3589	1944	2111	3264	1793	0	2601	9724	42859	6070	17929	3940	26645	8419	5032	7977	9222	6585	11326	12315	11906	13600	38197	31218	0	14360	14395	6294	4718	6455	6769	2964	8171	13339	5547	7188	0	8822	6864	Phytochemical	0.3	0.85	0.05
22	C20 H17 O6 N1	368.11285	368.11325	-0.12561	368.11282	7382	7883	5681	8464	4824	3630	3063	2031	4662	20681	23321	0	3010	0	2726	4101	1588	8046	3640	11056	14065	17770	1823	4093	2037	32478	1514	18545	3716	1926	1565	0	3358	1334	16845	1656	4532	1552	2254	19974	37099	2564	0	0	0	12596	27479	0	2154	1187	7970	6338	3460	0	4200	2303	3357	1896	1854	3876	2033	12066	3259	4479	3397	5300	5139	4733	39268	30416	54753	0	1271	1533	0	1454	0	1635	4039	16823	3802	13324	2230	14352	6300	4206	4889	4288	4224	7823	7076	3931	4609	19843	23660	0	6781	8103	3352	2220	4098	3109	1486	4137	10864	3760	2663	0	2269	4244	Phytochemical	0.3	0.85	0.05
10	C17 H21 O8 N1	368.134	368.1345	-0.050035223	368.13397	468862	442286	458403	402018	251870	230001	260646	483302	334693	921823	490958	295821	427515	134531	313365	458619	333528	473870	500731	909626	951436	726134	340170	507935	224273	431376	259980	313043	415965	408004	385526	428610	564658	382242	1085573	411196	544677	295698	407503	825930	1501104	264495	10474	1410	1469	518166	541768	1341	421799	414948	471481	476106	252915	1909	526352	257957	165741	440374	480999	388277	506412	532610	378498	384216	156360	346429	271719	387044	538693	609771	627237	429285	391842	413923	315243	390113	1138	287625	294387	314604	293131	351681	341165	352813	272948	211499	272327	253120	279766	714880	295856	431429	538705	476031	684827	3208	474592	489592	215538	199106	223633	467601	283173	582494	397120	406020	228082	1659	224012	524285	Phytochemical	0.47058824	1.2352941	0.05882353
4	C17 H21 O8 N1	368.134	368.13458	-0.15022321	368.13394	26764	52864	23738	21487	22391	14210	11544	24896	57588	37344	33164	36780	97000	13060	35872	25240	30378	34198	66888	35844	49031	76602	20751	55190	7676	11943	13360	14236	17180	15944	21008	20038	26265	16266	56525	18886	52806	16232	67936	30036	95344	18890	790	565	758	28299	41656	0	21014	20096	22824	23620	19502	817	75296	33885	13645	22335	19175	64300	24673	22767	46983	31749	12944	29373	36338	32625	26745	19035	27207	37064	17241	39812	8943	16363	446	28368	36860	15042	16669	15903	12918	10821	29962	14926	15469	18380	22038	54504	18032	24120	64296	29148	30362	1069	23740	29602	22111	79852	32142	25838	16101	31692	20491	40436	21552	487	12206	105142	Phytochemical	0.47058824	1.2352941	0.05882353
2	C17 H21 O8 N1	368.134	368.13464	-0.19475153	368.1339	12760	13477	10021	10471	15039	0	5525	11734	15463	13264	16432	9897	29828	6219	5830	2551	11473	19626	18406	10544	24580	18205	9275	8835	2199	3852	0	5257	10203	5883	11635	10453	16948	9112	25805	9438	9976	7849	11489	12989	19606	8479	444	363	429	7282	10099	0	10104	6397	9955	12395	13986	421	18401	13297	7663	11156	5761	9559	4061	7156	57560	39310	7677	24035	12463	13371	6862	8423	10113	12075	10283	8253	1288	7866	530	7182	7507	5645	7236	7096	4854	3918	13382	6025	8742	12823	11179	16062	6682	10079	15208	15102	3928	944	10790	10869	11080	17929	18082	8291	7610	8376	6654	12452	9494	0	4929	32423	Phytochemical	0.47058824	1.2352941	0.05882353
6	C17 H21 O8 N1	368.134	368.13458	-0.10067975	368.13394	215060	224626	206830	219378	142650	51785	108938	229024	185766	200706	121925	146324	287002	32383	148452	230230	201670	226244	254034	337302	448258	337002	171160	279026	38265	52145	114828	69532	179308	180374	192568	103385	261386	177106	471310	200776	237546	139726	268812	111354	384164	69193	2135	586	665	114611	320498	424	237762	192682	223812	214798	147482	1074	250936	76819	91130	215268	179422	131952	218262	97577	303420	103609	46153	105964	162162	270956	85478	85994	129764	178224	187646	178608	52607	171694	573	119618	132370	57909	126894	125188	60710	55754	156136	59083	136586	150126	165782	130430	54252	192414	262098	235238	138144	836	201766	227318	54863	78078	164930	250126	135266	138154	86781	214882	63182	344	99340	345882	Phytochemical	0.47058824	1.2352941	0.05882353
8	C17 H21 O8 N1	368.134	368.1345	-0.09628675	368.13397	528750	530610	411916	495042	135293	109923	133025	490848	194176	922136	265172	339016	274764	64495	329916	537538	430032	480932	268058	869000	990030	420018	200089	566422	98075	169627	307596	164886	441386	414236	417012	498924	516484	206769	1256126	435360	537122	328034	530624	780286	475995	295762	3921	630	788	294735	743440	942	490262	471408	516586	527474	143732	1375	281079	151297	217660	431820	460700	521064	269683	262990	277454	467616	92394	202977	152618	533400	260349	246360	330329	478830	478992	435372	171208	445800	607	327688	358472	159155	315796	187804	342124	189510	154921	104779	298782	287596	346064	494838	148246	249454	609380	271620	339040	1619	500680	269769	129479	153975	150099	546292	323074	338254	191886	428014	146545	594	269408	306188	Phytochemical	0.47058824	1.2352941	0.05882353
10	C14 H25 O8 N1 S1	368.13736	368.1377	-0.48904407	368.13718	0	2617	2594	2599	0	0	0	3040	0	0	0	1469	1349	0	1717	5213	1505	1154	0	0	0	7375	1748	8356	1252	0	1041	0	1520	1508	0	1076	0	1914	0	1820	2402	1604	2244	0	0	0	0	0	0	0	0	0	1103	2559	2611	2154	0	0	1781	0	0	2842	0	0	0	0	1530	926	0	0	0	1461	0	0	0	1946	1507	1268	0	1349	0	903	14570	0	5193	808	0	0	1034	0	11362	1048	0	25078	0	0	22490	1620	0	0	2666	3010	0	0	986	1607	0	0	0	7811	1015	0	4844	1532	Organosulfur	0.5714286	1.7857143	0.071428575
16	C21 H21 O5 N1	368.14926	368.14966	-0.191019	368.14917	10335	15943	14029	9245	7050	6020	6704	4798	5658	36441	33031	4737	5161	7795	4333	11893	8194	4359	6437	39844	37555	19430	6148	8596	5184	87788	2425	31795	4823	3039	3567	3889	8137	3609	33859	5516	5115	2801	8488	29452	48731	6289	316	0	0	10256	21537	0	10608	2581	13347	12433	5751	0	3614	2649	4893	8569	4368	7382	0	20282	5010	6625	3058	5808	6506	6979	75613	88420	112935	3899	2110	3061	6042	3944	0	3191	8951	17012	5397	10410	4478	17528	6050	4015	9189	5540	5136	0	12969	9433	0	20002	30572	0	7844	10720	6932	1890	3749	11562	4206	11306	7403	0	5039	0	6847	4747	Phytochemical	0.23809524	1.0	0.04761905
14	C21 H21 O5 N1	368.14926	368.14966	-0.23058936	368.14917	10135	7471	7706	10799	4346	3855	3100	6048	3874	25474	22759	2336	4674	5381	1640	4325	4461	6118	4143	27604	35245	11068	4126	9047	4073	74538	4634	24977	3948	4330	3007	0	5218	4133	20700	0	4642	3164	5580	23276	32436	2490	0	0	0	12106	17429	0	4600	2195	7724	10698	3264	0	1946	1865	1333	5986	0	5902	0	10843	6187	3226	1311	3846	5088	6327	61860	83889	94633	2272	2627	1963	2573	4376	0	1471	5867	0	2846	4908	3972	17285	3401	0	5835	3811	3244	14719	8876	4492	11379	10393	14345	0	8307	8411	2520	3488	1807	0	2786	8157	0	2862	2649	0	6680	4255	Phytochemical	0.23809524	1.0	0.04761905
18	C21 H21 O5 N1	368.14926	368.14966	-0.1265496	368.1492	22259	22388	16345	22167	7254	7163	4196	8980	4563	42633	54545	5575	11136	7870	6314	7706	10027	7543	11821	40560	46082	21353	6993	10619	6676	101441	4946	44053	7964	5339	7954	6713	9366	9331	41834	7655	6834	5729	11943	41880	54705	10249	344	0	0	21389	28040	0	7701	4841	17116	17958	11125	0	4022	5082	7393	11696	4545	14542	10762	23136	6757	5607	3635	8459	10881	8600	91708	101383	162073	6256	3818	3986	6996	9345	0	2651	10278	32164	8656	21413	5931	30753	7407	4633	9166	11084	9953	26904	13793	15882	18827	27156	33617	0	17375	15487	5696	8480	5903	10760	7295	14174	9740	9424	6836	0	7118	8261	Phytochemical	0.23809524	1.0	0.04761905
10	C21 H21 O5 N1	368.14926	368.1497	-0.2360741	368.14917	8637	6445	5673	6639	4518	3071	2793	2751	4194	25123	22872	1747	1385	5273	2079	6030	2633	4209	5010	33524	36589	4361	3586	4304	3537	53247	2491	21461	2617	1914	2557	2673	3375	3629	26752	2046	1782	1546	5602	18411	17643	2279	0	0	0	8650	13079	0	3842	3431	6978	8221	3061	0	4327	2696	2593	5032	0	5495	0	9019	1824	2525	1229	2938	3020	4395	46475	77073	65719	1237	2161	1871	3168	1959	0	1573	3580	6569	2495	3119	954	12930	2940	1530	3064	2738	2805	7445	5055	3571	7560	12730	22008	0	7763	5983	3322	2685	2069	2917	3640	4852	0	3997	1325	0	3005	1582	Phytochemical	0.23809524	1.0	0.04761905
22	C18 H25 O5 N1 S1	368.15262	368.15298	-0.13678043	368.15256	7969	6311	4721	4009	7129	3558	1805	2629	3690	15850	7522	0	4160	0	0	3795	1597	4994	2161	14503	20211	8613	1240	1318	3304	10809	0	8703	1477	1189	2005	4286	3317	2716	14726	1751	2205	1690	1611	14155	12046	1977	0	0	0	7925	6049	0	3620	0	6579	3200	1965	0	0	3584	1251	3545	6042	7169	3176	9583	4019	1183	2628	5558	4517	2592	10108	17150	13392	1251	0	0	2029	1770	0	2196	2429	7902	1116	5221	3823	10325	1996	1775	0	3538	2787	4997	21967	22681	3145	12470	17310	0	4987	3580	3633	4935	4776	3755	1314	7001	7695	4517	3285	0	1851	3030	Organosulfur	0.2777778	1.3888888	0.055555556
0	C14 H25 O10 N1	368.15512	368.15573	-0.11617147	368.1551	5341	6825	6195	6656	6358	126666	2086	0	2363	0	0	2575	13832	3999	1990	0	4567	10561	2772	0	1648	2514	3652	5707	0	0	0	939	10117	2917	3768	9573	7250	184396	0	5498	10953	2009	4416	0	0	3282	0	0	0	1839	0	0	10103	0	0	4887	3521	0	2129	1079	1446	0	714	1293	3527	0	6023	0	3544	19218	6483	5668	0	0	0	191832	115221	6802	0	5085	0	0	2147	839	0	0	0	0	1627	2156	2391	36414	7552	4375	8034	3380	4385	0	0	0	4755	4888	1601	787	0	3796	0	0	0	5865	1040	0	2049	14473	A-Sugar	0.71428573	1.7857143	0.071428575
2	C14 H25 O10 N1	368.15512	368.1557	-0.11624865	368.1551	17537	18627	12176	11907	17674	108609	16207	16214	13207	6893	11091	14214	19858	32990	11843	3896	30195	20342	18005	1235	14856	17139	5521	14172	5573	1530	0	8017	6984	9056	15331	11938	29967	85937	13708	17541	8399	11914	8441	8529	21347	4866	433	0	0	7079	10066	0	13661	3548	12859	12749	15600	0	3654	8452	7371	17409	8296	10563	3126	6122	5478	3760	7710	23379	11415	86276	2690	10463	7883	97642	57989	13000	2480	3823	0	10717	15157	9242	13008	0	4780	3480	10730	10520	16433	23243	15079	39648	8492	12786	45550	7633	3072	0	7308	17454	15164	11205	9976	13443	14771	7971	6183	17388	2323	0	20686	21443	A-Sugar	0.71428573	1.7857143	0.071428575
6	C14 H25 O10 N1	368.15512	368.15582	0.015554361	368.15512	22311	22068	19745	28120	178793	49907	16646	32030	17025	26429	13969	17986	33971	117768	25040	27496	22034	48825	41767	22080	28542	36576	19220	40270	15736	5423	15453	8878	26118	21602	25898	32713	36113	30724	36560	22777	28586	20920	27642	23799	29267	29884	0	0	0	25142	33825	0	35936	21626	28989	23976	84908	0	18235	13349	14683	30972	17824	29365	34814	16943	25867	18059	13055	43404	24179	39359	9382	13854	14329	28935	27379	24978	17663	19426	0	16816	18879	13595	16697	15485	15413	12487	30621	8710	18992	28214	23856	34450	25337	33704	42368	20663	23716	0	31052	27103	9924	10741	17531	35750	17119	33834	18063	28841	44255	0	15356	25783	A-Sugar	0.71428573	1.7857143	0.071428575
12	C22 H25 O4 N1	368.18564	368.186	-0.3942133	368.1855	3368	1833	3243	4152	0	1392	0	2223	0	12957	15509	0	0	0	0	2235	1886	1557	0	20104	19220	0	1769	5095	2445	38539	2502	11102	2373	2031	2931	2577	4493	2424	9141	2732	3703	1440	2312	7343	8556	1060	0	0	0	4329	5175	0	4105	2261	4701	3701	1033	0	0	0	0	3650	0	0	0	0	0	1451	1011	0	1722	3975	16077	34323	42705	1314	4234	1586	3095	2658	0	1171	1557	0	2310	896	1229	6729	967	1216	1342	2167	1792	6396	2943	0	3715	0	5832	0	3044	2741	1290	0	0	2486	2590	0	0	3515	834	0	1542	0	Phytochemical	0.18181819	1.1363636	0.045454547
16	C22 H25 O4 N1	368.18564	368.1859	-0.3201334	368.18552	3915	6017	2813	4241	0	0	1982	2975	1731	8985	16949	2198	0	1810	2368	2619	4477	0	2917	13615	13276	3848	0	1852	2223	42514	1393	15142	1919	1684	2583	4419	6137	2359	5025	3935	3388	1503	4490	6722	11775	1658	0	0	0	4292	8425	0	3471	2802	6205	3372	1583	0	0	1361	1969	4037	0	3633	0	2858	0	0	0	2648	2226	4287	27977	31909	37450	4240	0	1508	2368	3195	0	1714	2655	5895	3076	1533	2218	12390	0	2026	6229	1794	1563	0	7962	2932	0	5751	6984	0	5408	3074	1345	1168	0	3707	2438	2113	0	0	1531	0	3513	0	Phytochemical	0.18181819	1.1363636	0.045454547
20	C22 H25 O4 N1	368.18564	368.18597	-0.2457283	368.18555	7957	13314	11400	16246	4976	2318	3120	6513	3085	14387	24700	5305	0	5340	5614	16688	10165	3916	4879	21585	21821	9690	4987	10375	5001	69609	4738	27726	7230	6423	6897	7931	10459	9265	12533	5616	8766	4184	13517	22887	46190	4781	0	0	0	8899	17740	0	9225	5367	11541	12449	6883	0	0	1503	5851	9680	3973	13063	12979	12993	3504	1922	4328	4707	9455	14597	52130	50488	73355	6712	5190	3477	7865	4346	0	2200	7376	18816	4496	9763	6572	16945	2500	2937	10840	7452	6766	33130	12333	10571	18166	13388	17678	0	10703	11455	4211	2393	3084	8969	5366	12416	6811	11686	2237	0	10889	1555	Phytochemical	0.18181819	1.1363636	0.045454547
26	C22 H25 O4 N1	368.18564	368.18576	-0.19185704	368.18558	0	2948	2965	2526	2064	0	0	0	0	2081	4093	0	0	0	0	0	0	0	0	0	0	4174	0	4782	0	8763	0	5340	0	0	3123	0	1778	0	1605	0	2913	0	3589	2222	9573	0	0	0	0	0	0	0	3031	0	3187	2419	2824	0	0	0	0	5138	0	3211	4795	0	0	0	0	2498	0	3064	8709	2692	6965	2440	2619	0	0	0	0	0	3849	0	0	0	0	4927	0	0	6024	0	2442	32444	4779	3264	9343	3781	0	0	0	0	0	2888	0	4469	0	0	0	5118	0	0	3023	0	Phytochemical	0.18181819	1.1363636	0.045454547
14	C22 H25 O4 N1	368.18564	368.18607	-0.21190181	368.18555	2016	3048	1993	7094	1758	1503	0	3174	0	13135	17181	0	0	0	1476	2176	5333	0	1826	14469	14109	5362	1656	6300	2607	37063	1290	14253	1709	1676	2708	0	3562	2264	6974	2451	2915	0	3548	9430	8288	1808	0	0	0	2959	4063	0	3093	3145	1803	3823	2330	0	0	0	1674	3894	0	0	0	3664	0	0	1267	0	1679	6179	19711	39194	40011	2686	2111	2138	3618	1835	0	1494	2682	0	1610	0	1436	7457	0	0	2646	0	1400	13810	5414	0	4972	4362	8542	0	4059	2948	0	0	1409	2513	2544	3508	0	3124	984	0	3405	0	Phytochemical	0.18181819	1.1363636	0.045454547
22	C22 H25 O4 N1	368.18564	368.186	-0.1399261	368.18558	12208	14211	10439	11452	7962	5706	6216	12519	6431	17419	34095	7465	1935	6455	5663	13804	13519	3135	6697	21663	24397	16599	5167	16883	8645	68438	3306	31753	10722	9621	6853	12976	13753	16408	9729	11186	9103	4860	9687	34495	36549	10939	0	0	0	16529	22930	0	10519	10953	13498	12400	10137	0	6281	2829	5139	14381	5044	13810	17236	15649	3498	2541	4504	6874	14095	9858	58468	48292	68695	11061	11320	4914	6458	7852	0	5772	11438	18282	5732	10379	9525	21651	6170	3366	14406	10439	8286	30620	16651	12720	20276	13813	15973	0	10607	10827	4172	6196	6300	13076	3881	15992	6939	11821	3311	0	14898	2230	Phytochemical	0.18181819	1.1363636	0.045454547
18	C22 H25 O4 N1	368.18564	368.186	-0.1965677	368.18558	9408	13554	11712	6959	3978	2540	3503	4891	2184	15113	14761	2995	1596	3675	3039	10989	7941	1846	3877	18234	12779	5409	3667	4791	5337	45189	3578	14992	0	5000	4525	3411	6990	6683	7601	6368	5253	2119	9160	15293	24702	5263	0	0	0	10664	8952	0	6946	5058	7629	4903	2159	0	0	1822	2955	8895	1808	9465	5994	6550	0	1729	1490	2750	6630	10670	38003	36182	49639	4435	4061	2440	6477	0	0	3756	4821	9989	4599	5544	4091	12110	2657	2868	6069	5057	6294	19124	7594	6792	9732	8493	8808	0	7048	9032	3867	0	0	4652	2291	2841	2387	5134	2206	0	4753	0	Phytochemical	0.18181819	1.1363636	0.045454547
10	C22 H25 O4 N1	368.18564	368.18613	-0.19761544	368.18555	2742	2589	3467	5309	0	1421	892	1838	0	11555	9052	3314	0	0	1784	2169	2137	1115	2490	17321	15712	0	1426	3287	1783	33606	1690	10283	2067	3740	2491	3068	2920	3814	13514	3214	2842	1605	1971	6788	5776	2029	0	0	0	4952	3772	0	2861	2955	3814	3288	1825	0	0	833	586	0	0	0	0	1627	1012	0	1243	0	1491	4678	19751	27327	31587	3461	3803	3817	1629	3578	0	1691	1162	0	1085	727	0	8562	905	0	2815	2396	1417	5494	6271	0	3833	5325	7538	0	3132	3280	0	0	0	4575	2653	0	0	3325	725	0	973	0	Phytochemical	0.18181819	1.1363636	0.045454547
24	C22 H25 O4 N1	368.18564	368.186	-0.120569915	368.18558	6395	10400	7173	9064	5113	3330	2290	9567	3126	7143	16027	3183	1541	4262	4569	13007	6417	2390	3951	8644	12443	8664	5087	10947	7061	35809	4573	18320	6142	6029	5564	7880	6739	9839	4393	6060	6210	3725	6131	13444	28234	4709	0	0	0	9326	12152	0	6879	7652	9448	6934	5288	0	1566	1448	2933	9296	3273	8250	8272	10023	2150	1330	0	4408	7138	6428	35590	21809	34807	8808	12211	3569	5640	5140	0	3397	8660	12293	4488	6905	6007	13959	4119	3421	9130	6352	6019	24359	8513	10385	17136	9875	10980	0	6035	8211	3537	4838	4412	5024	4629	8528	6951	13173	5618	0	6894	2038	Phytochemical	0.18181819	1.1363636	0.045454547
4	C15 H29 O9 N1	368.1915	368.1922	0.018604927	368.19153	2208	4108	3496	3542	35988	6338	1092	1759	14747	0	0	711	35863	77938	2424	1887	1560	4483	5931	0	0	2729	0	2166	1758	0	1152	0	2074	2807	1743	1898	2309	2024	0	1679	1928	2296	2407	0	0	8477	0	0	0	0	0	0	2290	1655	4134	3899	19828	0	7232	7767	9639	3100	603	0	2047	0	6378	7570	6430	20528	18566	2622	0	0	0	1998	1445	1717	0	1303	0	1023	1366	0	1099	0	801	0	19931	6030	2767	0	0	3530	5115	3111	4940	0	0	0	4828	4207	4189	5625	5505	2298	993	0	0	1487	21986	0	1846	8167	Lipid	0.6	1.9333333	0.06666667
0	C15 H29 O9 N1	368.1915	368.19214	-0.16847119	368.19144	4660	4904	4429	4376	4990	10859	8315	6231	2833	1547	0	3359	28243	8180	0	0	3450	19186	9068	0	1330	2544	0	4368	2500	0	0	1199	11759	3062	7303	4775	19793	26153	3133	3185	8346	2387	6235	0	0	3769	0	0	0	0	0	0	6729	3405	4311	3611	6794	0	2859	1118	2461	4466	624	0	4936	0	10421	2791	57755	24801	8338	5615	0	0	0	21035	16988	4688	0	5916	0	5205	1623	2987	2040	994	0	0	1921	14044	2017	12644	12522	4350	21432	5337	0	0	0	0	4807	6478	1399	1604	1274	3991	3122	0	0	6650	1539	0	0	16922	Lipid	0.6	1.9333333	0.06666667
6	C15 H29 O9 N1	368.1915	368.19217	-0.018264707	368.1915	1667	0	1496	1744	5798	0	1451	1556	728	0	0	0	2964	4766	1490	2386	0	0	0	0	0	1315	1384	1925	1675	0	1284	3399	2107	1458	2083	1702	2238	3589	0	0	1752	1163	0	0	0	4291	0	0	0	0	0	0	2417	1679	1531	1229	5320	0	0	1315	2139	2782	0	0	2803	0	617	0	0	2288	6905	2713	0	0	0	4085	0	1443	1158	1280	0	1394	1648	5333	1362	0	735	0	3896	0	1456	966	0	1563	29939	87199	1859	0	0	0	1676	1897	0	0	0	2155	1256	0	0	1918	4262	0	1321	0	Lipid	0.6	1.9333333	0.06666667
8	C18 H29 O5 N3	368.218	368.21844	-0.23558252	368.21793	7577	4830	4848	3050	2466	2280	3760	8436	2175	3112	2386	2823	2796	1631	6658	10126	4529	1967	4572	8450	6400	9584	5271	10724	8577	1123	4978	2248	8602	5527	7492	8215	7591	7962	7755	8594	7651	4988	5588	6798	1493	2845	0	0	0	7432	2724	0	8922	6911	6614	5768	2982	0	2891	1281	1246	9887	1266	862	7215	0	4258	1656	3036	3396	3331	6483	0	4558	3330	6789	6456	7642	5209	5219	0	5225	5376	3078	4246	1057	1183	2233	0	0	4315	1954	4160	9695	30558	12700	16504	2186	3354	0	6712	5099	1216	834	0	9826	4948	6669	0	7775	0	0	6443	2699	Peptide	0.2777778	1.6111112	0.16666667
26	C23 H29 O3 N1	368.22202	368.22217	-0.19750737	368.22195	1928	3420	2770	2759	0	0	0	0	0	1898	3630	0	0	0	0	8310	0	0	0	0	0	4000	0	0	9511	8929	0	3580	0	0	2632	0	0	2734	1357	0	3024	3622	3734	2011	3116	0	0	0	0	0	0	0	2576	0	2818	3444	2883	0	0	0	0	4266	2289	0	0	0	0	0	0	0	4580	4368	9477	2310	3519	0	0	0	0	2623	0	0	36819	5109	0	0	2277	3539	0	0	23565	0	0	30760	4646	6220	13429	4085	0	0	2873	0	0	0	0	0	0	0	0	4542	0	0	13525	0	Phytochemical	0.13043478	1.2608696	0.04347826
24	C23 H29 O3 N1	368.22202	368.22232	-0.16555992	368.22195	3110	5792	3745	2076	1292	831	2084	3000	0	0	3496	2594	0	2040	2329	7302	5640	0	1817	0	1541	5283	3497	7594	8888	13360	1679	3681	4019	3516	5735	4982	3197	4422	0	3113	3662	2581	4427	1862	5004	2195	0	0	0	3603	2409	0	3050	5459	2855	2785	1760	0	0	0	1281	5605	2729	3875	3632	1511	0	0	0	1710	2170	4129	8728	4485	8874	4196	3782	2185	2968	5032	0	2473	9400	6168	1954	3362	3194	2746	0	0	12914	1481	2148	37594	10485	13063	13719	3354	5158	0	3625	6305	0	0	0	5651	2894	4254	2703	6087	0	0	8126	0	Phytochemical	0.13043478	1.2608696	0.04347826
2	C16 H33 O8 N1	368.2279	368.22858	0.06114784	368.2279	0	0	0	0	2086	0	0	0	630	0	0	0	0	2329	344	0	0	415	0	0	0	0	0	0	0	0	0	3301	0	0	0	0	0	0	0	0	0	0	0	409	0	0	0	0	0	0	0	0	0	0	0	0	1674	0	0	0	2941	0	0	0	491	0	988	0	0	1461	6361	0	0	0	0	0	0	0	0	0	0	370	0	55564	0	0	0	0	1231	0	627	0	0	1592	5962	912	0	745	0	0	0	0	0	0	0	0	0	0	342	0	1404	0	616	1199	Lipid	0.5	2.0625	0.0625
18	C16 H33 O8 N1	368.2279	368.22827	-0.14989297	368.22784	0	0	0	0	4568	2295	1309	0	3111	0	0	0	0	2597	0	0	0	2323	2196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4950	1179	703	377	0	0	618	0	0	0	0	3852	733	7604	0	15390	0	0	0	0	0	0	13875	39218	13998	28564	0	0	0	0	0	0	0	0	0	576	0	0	0	0	0	0	0	6978	11105	0	2174	1463	0	0	0	0	0	0	571	0	0	22682	0	1596	0	0	0	0	0	0	521	0	0	Lipid	0.5	2.0625	0.0625
16	C16 H33 O8 N1	368.2279	368.22833	-0.13331749	368.22784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1286	0	2101	0	1430	1186	719	0	0	839	0	0	0	0	0	999	0	0	900	0	0	0	0	0	0	0	60901	0	0	0	0	0	2131	0	0	0	0	0	816	0	0	0	0	0	0	0	1579	23562	0	0	0	0	0	0	0	0	0	797	0	0	0	0	0	0	0	0	39380	0	0	786	0	0	Lipid	0.5	2.0625	0.0625
20	C24 H33 N1 S1	368.24066	368.24084	-0.61756206	368.24042	2684	3379	1566	2647	0	0	0	4161	0	5156	0	0	0	0	0	2059	0	0	0	3249	0	2636	0	2087	0	0	0	0	0	0	0	2980	0	0	3526	0	0	0	0	2812	1971	0	0	0	0	1994	0	0	4988	3057	2088	3176	0	5423	0	0	2555	1824	20750	5204	2907	0	0	0	0	1566	0	2843	0	3148	0	2891	2250	1488	3276	0	0	0	0	0	0	0	0	0	0	0	0	1039	0	0	6359	2894	0	0	2096	0	0	1804	0	0	0	0	0	11712	45860	2495	0	0	0	1482	Organosulfur	0.0	1.375	0.041666668
10	C20 H33 O5 N1	368.24316	368.24362	-0.10228596	368.2431	150348	137280	143295	124679	4687	8766	92968	742526	4143	20980	27980	284840	2617	2643	26605	338568	322922	9515	19483	108792	67421	18091	14197	23683	24536	5780	85862	14320	376323	669942	527562	434702	342289	349130	48612	413695	382848	26210	388523	12921	6105	19525	0	0	0	17618	29260	0	869460	793966	139878	138583	10330	0	6065	0	10153	305876	0	0	263883	5998	3139	13662	15237	6240	0	342576	0	25693	15245	735952	365605	509090	359536	362472	0	193280	11076	10138	6731	2517	1121	9407	3973	2411	49047	38247	65937	48881	63501	17837	38583	13103	18219	0	149740	148637	2882	1837	2959	387503	166666	235904	0	42890	1771	0	19393	4599	Lipid	0.25	1.65	0.05
12	C20 H33 O5 N1	368.24316	368.2436	-0.18711455	368.24307	10210	11750	14534	12478	3507	3809	16299	24369	2116	7444	2269	11015	1432	1842	6504	18476	14454	2557	5659	12062	8090	6419	5953	5672	10699	4023	14527	0	17917	17177	21442	20929	24099	14872	19938	18319	20966	10955	15477	6528	0	3249	275	0	0	3758	4108	0	25775	20445	10199	19574	5030	0	2524	1578	1348	19349	0	0	0	3504	2113	2712	3091	5365	5100	18990	0	11815	6802	21867	16099	16614	17488	15892	0	15197	7928	0	3515	0	0	4036	15596	4035	18162	4082	3339	41202	26594	10476	13930	5967	5546	0	9377	7828	2717	1975	3904	17159	9928	5343	0	16324	1330	0	7567	2771	Lipid	0.25	1.65	0.05
18	C20 H33 O5 N1	368.24316	368.24353	-0.20768782	368.24307	19906	17881	21403	15872	12336	11959	19233	21234	7693	10101	7547	15855	14729	10425	16131	39484	42279	17628	20546	14029	15467	14810	18706	25586	12569	22462	18238	11419	23262	27304	19394	25850	16880	20181	11539	21055	20540	13709	38878	7196	17865	15877	317	0	0	12574	16233	0	22359	26843	19789	24202	14471	425	23949	21937	7853	29008	5749	17954	25876	3995	16112	13513	9044	10998	13598	37024	16591	11371	19280	15087	16294	26705	40786	17907	0	12896	16452	19644	13798	8786	13556	9649	21900	14762	29959	15413	16221	52691	41579	26366	32677	15252	25953	0	20260	21875	9424	17238	29181	29955	15358	21689	7039	20675	15155	0	24543	9556	Lipid	0.25	1.65	0.05
26	C20 H33 O5 N1	368.24316	368.24353	-0.13548507	368.2431	19602	17511	23857	20802	34001	13124	12139	21588	22697	16694	14425	7832	32602	23202	9700	24482	13556	19621	34420	19237	25127	22418	11419	20526	16545	16911	9016	22440	23788	15626	12150	20732	27126	15583	22854	23284	27831	12105	17442	22556	16648	17069	0	0	0	16288	15533	0	17436	12499	19506	18790	22743	0	32467	26354	20613	25562	15024	11541	23243	12817	23259	22543	15796	32813	31647	18455	16085	25441	24880	14078	18311	19234	13564	18047	0	11975	19707	17058	11591	11359	12786	14539	29120	12463	27728	12154	14926	27453	33977	36270	30382	14927	16009	0	19666	22748	23705	33667	41530	27492	9207	17627	13779	19939	24379	0	18460	22549	Lipid	0.25	1.65	0.05
16	C20 H33 O5 N1	368.24316	368.24356	-0.19447592	368.24307	5683	10854	9563	8392	4825	4736	9054	13378	3020	5622	4464	6587	4900	4672	4995	18175	19533	3647	6430	12237	6707	8612	7315	14743	8043	6703	11286	5779	13540	16358	7409	12503	10991	8657	4041	14166	11420	5671	18123	5996	6784	5261	0	0	0	4966	7356	0	18282	12828	9943	11318	5592	0	2532	5939	4392	19981	1967	6915	15644	2864	3307	3959	4105	5858	4998	19308	8705	5601	8999	9351	10718	13558	19331	15532	0	9161	11824	6446	6174	3894	3130	4784	6606	4552	15738	5112	5675	25441	21134	9488	0	9896	12154	0	5197	10965	5736	5543	9422	12534	6609	8687	3631	0	6093	0	10333	2988	Lipid	0.25	1.65	0.05
14	C20 H33 O5 N1	368.24316	368.24356	-0.2524655	368.24304	3699	5130	7613	5516	3867	1638	4238	12931	1524	0	2013	3252	1329	2361	4159	0	8314	0	3825	4906	2998	0	3459	7427	10690	4775	7845	0	10095	11229	7399	0	10322	9397	3616	9613	6108	4662	9301	3343	0	3401	0	0	0	2749	0	0	8247	7180	7666	6646	3680	0	4181	2866	1186	10426	0	0	0	2409	1825	1169	2306	2622	4781	9026	0	9012	2613	7285	7463	9205	10504	9196	0	4275	6264	0	3034	0	0	4305	4962	0	7575	0	2644	20273	27336	4329	19413	3277	9950	0	4452	7426	1825	1912	2646	9875	4618	5667	0	7928	3026	0	6136	1723	Lipid	0.25	1.65	0.05
16	C19 H33 O4 N3	368.2544	368.25418	-0.30813134	368.25427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1219	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	979	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8693	0	1704	0	0	44590	7318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.21052632	1.7368422	0.15789473
12	C24 H33 O2 N1	368.2584	368.25873	-0.14734581	368.25836	0	0	0	0	0	0	0	0	0	0	0	37248	0	0	914	0	0	0	0	0	0	0	0	0	0	0	0	0	2789	0	14933	0	0	1381	0	1266	2351	1415	0	0	0	0	0	0	0	0	0	0	3224	2031	0	0	0	0	0	0	1076	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2250	1272	2215	0	1410	0	58908	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4727	19016	0	0	0	0	0	0	0	Lipid	0.083333336	1.375	0.041666668
24	C24 H33 O2 N1	368.2584	368.25848	-0.28439483	368.2583	0	0	0	1125	0	0	0	0	0	0	7225	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17637	0	0	0	0	0	0	0	0	0	0	1137	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	863	0	0	0	0	0	0	0	2488	0	0	0	0	0	0	0	0	0	0	0	0	3128	0	33813	0	0	0	0	0	0	0	7232	3241	1356	0	0	0	0	0	0	0	0	0	0	0	0	12386	0	0	0	0	0	Lipid	0.083333336	1.375	0.041666668
24	C21 H37 O4 N1	368.27954	368.27988	-0.14581813	368.27948	2246	3576	3261	3330	2622	3039	20708	3442	1025	3253	3167	0	1415	4349	3238	6849	6855	2078	3751	2481	2564	1936	0	2371	3457	4624	22752	5693	4393	3543	1870	6476	6509	3364	2061	5423	4312	2073	5698	1821	3356	4645	0	0	0	2347	3118	0	3969	3922	4112	2468	4380	0	0	1047	1828	6211	1550	3345	6161	1551	2508	1070	2672	4845	7475	6056	2010	0	1794	1978	2689	4236	5044	3137	0	0	0	8770	0	3094	8173	6143	0	3356	3096	3967	2579	9873	19042	13310	4543	1661	2297	0	2701	5917	2058	1109	0	4437	772	4295	3531	5019	1174	0	4722	3235	Lipid	0.1904762	1.7619047	0.04761905
26	C21 H37 O4 N1	368.27954	368.27982	-0.20994246	368.27945	4377	6720	5192	3763	3495	4470	9238	9952	0	2833	9502	0	0	9309	0	11400	12589	4842	6561	0	0	3859	0	0	8761	0	7455	14958	8945	9506	5082	13887	10128	7358	2961	11646	8541	5485	14688	1983	3526	10426	0	0	0	0	0	0	13380	6410	6195	5134	6970	0	4725	0	0	9191	2503	4065	12320	0	4298	2375	4593	7065	12177	13355	0	3505	2541	3497	7943	9144	0	8071	0	0	2763	14068	0	7926	6308	4194	0	0	10620	4284	4171	7207	24136	17623	4489	4648	0	0	6923	0	0	0	0	7605	0	0	11653	11593	0	0	9142	3933	Lipid	0.1904762	1.7619047	0.04761905
26	C22 H41 O3 N1	368.31592	368.31595	-0.1679998	368.31586	0	0	0	0	6316	0	0	0	0	0	0	0	0	3337	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12075	0	0	0	0	0	0	0	0	0	0	7558	0	0	0	0	0	0	0	0	0	0	0	5177	0	6702	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4359	0	0	34813	0	16814	3821	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13636364	1.8636364	0.045454547
16	C15 H12 O11	369.04523	369.04575	0.038365055	369.04526	3397	3212	2015	0	15438	4321	0	0	13710	0	1501	1204	29526	7097	0	0	0	16421	10217	0	0	4414	2664	0	0	0	0	0	0	0	0	0	0	0	0	0	0	989	0	0	0	1535	0	0	0	0	0	444	1589	0	2781	1946	9463	0	10333	15611	4989	1630	0	1610	0	0	31849	13199	3550	17919	4465	0	0	0	0	0	0	0	0	0	0	0	3002	0	1236	0	0	0	17089	2929	1667	3530	3554	0	0	0	0	2444	2078	0	2038	0	9180	20452	16704	0	0	0	0	0	8187	0	0	28703	Phytochemical	0.73333335	0.8	0.0
14	C15 H12 O11	369.04523	369.04578	-0.05461986	369.04523	1828	2097	2043	3203	22433	6544	0	0	17993	0	0	1088	31481	5629	2054	0	0	12173	8822	0	1807	0	2909	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2683	0	0	0	1546	0	0	0	0	4059	3347	8891	0	13456	18691	5407	0	0	0	0	0	40946	24251	5358	22060	5855	0	0	0	1495	0	0	0	0	0	0	0	1996	0	3120	0	0	0	19036	2813	3509	6816	4656	4062	0	0	0	3593	1552	0	3901	2136	9308	25211	18926	2314	1584	0	0	0	10193	0	0	37432	Phytochemical	0.73333335	0.8	0.0
10	C15 H12 O11	369.04523	369.04575	-0.07563538	369.0452	1130	3542	1103	1669	12458	2410	0	0	12888	0	0	0	19817	1997	0	0	0	6530	11310	0	0	0	1541	0	0	0	0	0	0	0	0	0	0	0	0	0	1257	894	0	0	0	3181	0	0	0	0	0	0	0	0	1038	1547	4489	0	10711	14559	2689	0	0	0	0	0	25811	13516	3368	15771	2408	0	0	0	0	0	0	0	0	0	0	0	1848	0	1701	0	0	0	11449	1426	0	3649	3113	0	0	0	0	3038	0	0	1434	1311	9670	20660	14941	0	0	0	0	0	5292	0	0	28291	Phytochemical	0.73333335	0.8	0.0
18	C15 H12 O11	369.04523	369.04575	0.07522225	369.04526	2677	2455	0	2285	12330	2583	0	0	5398	0	0	0	7507	4741	0	0	0	6542	7309	0	0	2918	1379	0	0	0	0	1749	0	0	0	0	0	0	0	0	0	0	0	1446	1717	1022	305	0	0	1423	0	557	0	0	3103	0	7042	0	7129	9258	3411	0	0	1591	0	1811	21997	9846	3490	12161	1182	0	0	0	0	0	0	0	0	0	0	1334	1886	2342	1400	2179	0	0	8819	2667	1588	1828	1976	0	0	0	0	4414	1837	0	0	0	3638	11494	11948	0	0	0	0	0	6534	0	0	18751	Phytochemical	0.73333335	0.8	0.0
12	C15 H12 O11	369.04523	369.04575	-0.12788995	369.0452	3298	5160	1967	3270	17248	3730	0	0	20915	0	0	2096	30533	4594	1307	0	0	12220	13778	0	0	0	2641	0	0	0	0	0	0	980	0	1238	0	1606	0	0	0	1492	0	0	0	5538	0	0	0	0	0	0	1563	0	2298	2959	9472	0	11226	19887	7251	0	0	0	0	0	42287	21890	4863	24087	5949	0	0	0	0	0	1130	1022	0	1252	0	1503	1687	0	1843	0	0	0	16678	3206	1741	5344	4181	0	0	0	2465	4463	0	0	4752	4080	12558	30080	19100	0	1301	0	0	0	9860	0	0	47020	Phytochemical	0.73333335	0.8	0.0
20	C19 H12 O8	369.0605	369.06085	-0.13228828	369.06046	11654	17616	18778	14741	21995	13167	9898	6198	28551	24069	17582	6698	35890	17329	14525	9546	10801	30747	37789	15541	19130	33264	9687	7426	7759	11460	7927	7556	5930	2742	6117	3151	6935	6259	29671	3492	9069	10547	10692	13436	15087	14259	1183	0	0	11346	13711	789	6743	3670	16839	21332	24074	417	24451	20198	13644	10662	4478	9023	10823	12413	37392	30627	19456	28393	15115	10494	14802	12659	15240	5784	1946	1907	6492	5649	0	5776	23007	29613	19552	11602	6830	9177	31767	19884	29687	18479	18439	17250	8474	8099	11680	43751	39150	627	12284	12052	26530	30763	26780	7320	5097	7252	7265	11065	22311	0	11746	49732	Phytochemical	0.42105263	0.6315789	0.0
22	C19 H12 O8	369.0605	369.06088	-0.10992977	369.06046	16645	18291	14232	12211	15274	11566	9132	10556	25027	8803	8380	7015	20159	11694	10877	13039	9841	22877	24371	7112	9203	31863	15050	16988	11314	6044	10857	3344	5736	6832	10270	8265	10673	5852	14125	6419	11511	12276	12182	8852	10345	12550	0	0	0	11452	15590	0	9183	7868	13997	11227	17910	391	17089	14527	14555	13605	5056	11393	13698	5987	24547	26077	11425	20453	12555	9233	4975	7390	8739	6104	4878	1309	6731	7226	280	8755	21783	13886	23550	8105	7362	9654	32283	18360	15383	17531	18314	25792	7886	3861	12966	26363	28162	0	9420	10216	15260	23239	23592	9470	8223	8819	6319	10086	17526	0	11510	33492	Phytochemical	0.42105263	0.6315789	0.0
14	C19 H12 O8	369.0605	369.06094	-0.039060216	369.0605	8894	9897	9024	10267	12914	5035	2051	0	15283	18027	15249	3213	14264	4691	2564	0	3069	13627	12525	14080	13634	28594	3687	0	0	7019	1408	0	2422	0	0	0	1866	1227	39537	0	3133	2296	1191	8797	10749	5424	0	0	0	5422	12628	0	2280	0	6229	8202	9299	245	11534	8971	6315	4556	0	0	0	6608	20402	14846	4104	15681	7398	2831	0	9812	14253	1184	0	0	0	2371	0	1041	9747	0	7758	8269	1124	5619	14594	7050	5497	7376	6810	7315	0	6416	3876	22650	26595	0	4002	5321	13026	14390	11222	4279	2053	3032	0	3349	10087	0	2843	12706	Phytochemical	0.42105263	0.6315789	0.0
16	C19 H12 O8	369.0605	369.06094	-0.004133459	369.0605	16473	10467	14363	11178	17509	10747	2823	2866	27253	34431	22391	4205	25032	12041	5050	6339	3328	28583	23727	20834	21339	38848	7429	5023	2434	10722	2823	9696	0	0	1873	0	5145	1816	47294	0	5126	5912	2883	14529	15880	5529	373	0	295	9743	15689	0	3701	1491	14381	10999	14252	0	20802	16829	11001	4750	2527	2983	0	13694	37142	18374	7461	20024	8387	4509	10970	15765	15603	0	0	0	0	1722	0	1677	20870	29640	11025	15629	3894	10883	23115	10725	15192	8732	10822	0	8085	9128	0	39812	49975	0	11136	16501	17898	25192	21686	4740	3026	4633	7006	0	19972	0	3623	25795	Phytochemical	0.42105263	0.6315789	0.0
18	C19 H12 O8	369.0605	369.06088	-0.07525423	369.06046	14404	19924	12796	17326	27427	10805	6399	4769	28574	43563	26220	4640	38837	20910	11862	9898	6051	40999	35201	21257	20400	47856	11594	4992	5399	11125	9090	10449	0	3146	3685	0	8629	0	46129	3183	8276	9464	6714	19319	22498	12478	1377	0	0	12078	16880	468	5946	4184	19101	23400	16266	0	28414	23543	15324	12806	7353	6173	9013	17900	44465	31903	14084	28370	15529	7229	11419	16671	22000	3344	0	0	4979	0	0	5076	27730	40148	18074	16514	4646	14007	38573	20618	22684	16481	18681	14918	18549	12049	10290	46351	50384	563	18748	15369	26126	29361	29915	8576	3894	5567	13312	8316	19354	0	10776	41010	Phytochemical	0.42105263	0.6315789	0.0
16	C16 H16 O8 S1	369.06387	369.06436	0.08338466	369.0639	7553	10943	13008	11203	16958	9030	2518	1864	11091	53772	19337	0	30282	7096	1544	3231	3694	22856	16334	18559	18977	43684	2313	3100	2235	16054	2028	18122	0	0	1319	0	2716	1709	58009	0	4021	2051	1370	26149	21027	5887	445	0	0	9288	5991	0	2918	0	8533	13285	12024	0	15803	9587	6262	4052	8546	6323	0	25595	13501	11100	3506	10886	6318	0	19899	25206	32968	0	1219	1295	0	0	0	0	3043	32063	1625	5404	4818	14062	11429	4354	3880	3498	4532	0	17587	28245	0	46936	66972	0	11985	10610	10575	10019	10819	3471	0	5390	31067	0	21954	0	1651	19825	Organosulfur	0.5	1.0	0.0
18	C16 H16 O8 S1	369.06387	369.06427	-0.10492544	369.0638	9176	7574	12501	8413	13124	8738	1799	2382	20562	31071	10963	1134	25138	4084	2222	4551	1386	21396	17564	13369	10897	28218	2282	1133	2949	8612	1224	9689	0	1704	2109	0	2585	0	27864	0	4738	0	1611	16700	12745	4363	690	0	0	4865	8125	0	1866	0	10274	7603	10637	0	13452	7683	3245	2779	9270	3505	4242	21265	10901	8882	5058	15006	7042	0	15647	14754	12837	0	0	0	0	0	0	1813	2437	19080	1311	2482	4471	8057	9756	5873	5388	2928	5237	3737	15615	20438	6760	23301	35151	0	9608	6895	9939	6655	5657	0	1283	2919	287274	1621	7986	0	0	12155	Organosulfur	0.5	1.0	0.0
20	C18 H12 O7 N2	369.07172	369.0722	-0.08444639	369.0717	4872	0	0	0	1678	0	0	0	5370	0	5388	2436	0	0	0	0	0	3556	0	0	0	11188	0	5052	3096	0	4618	0	0	0	2568	0	5082	0	3832	0	1864	2924	4134	5326	11766	2300	0	0	0	3790	7604	0	0	0	0	3126	6900	0	0	0	2598	4740	3238	3516	4350	2484	3582	4956	0	4432	0	7170	2682	0	5560	0	0	0	0	4296	0	0	8366	11948	4506	4760	3214	0	4608	0	1907	5170	1431	4969	5108	4722	6574	22198	8606	0	9345	5910	0	6988	0	0	0	0	3406	3288	2416	0	0	4216	Phytochemical	0.3888889	0.6666667	0.11111111
8	C20 H16 O5 S1	369.07913	369.07986	0.30785343	369.07922	1252	1748	0	0	2982	1826	0	0	2954	0	0	0	2628	2024	0	0	0	2431	1591	0	0	1156	0	0	0	0	708	0	0	0	0	0	1103	0	1427	0	0	622	0	0	946	822	0	0	0	0	0	0	0	0	0	0	2356	0	2152	2965	2543	0	0	0	0	0	5000	3319	0	3205	2397	0	0	0	0	0	0	0	26836	0	0	834	1327	0	0	0	0	0	2452	0	0	0	1464	0	0	0	0	0	0	0	1413	0	3363	4649	0	1046	0	0	0	0	2676	0	0	2111	Organosulfur	0.25	0.8	0.0
16	C16 H16 O10	369.08163	369.0821	-0.050797153	369.0816	65264	62034	62915	63760	110489	90343	20977	21010	152198	39856	41555	34062	243552	63008	42116	23203	22658	179154	141596	38264	60149	67601	56777	25433	14359	6280	18283	13849	16122	20217	31056	20470	44054	21347	56053	21005	44536	36531	24314	29793	41889	45591	2897	586	1052	34457	52483	1249	24174	25497	58908	54571	85698	658	160519	112697	50618	28554	33216	29173	29628	48609	225088	160084	45066	140517	61213	28370	36875	23733	36841	26534	23699	15331	23972	18590	619	30247	51314	34498	38473	38268	10394	11971	116087	53247	44355	53267	58313	0	17501	31426	35890	59736	42358	959	64408	53662	88898	108510	88761	42106	32529	15820	44361	37287	82940	829	16917	262956	Phytochemical	0.625	1.0	0.0
6	C16 H16 O10	369.08163	369.0822	-0.11390783	369.08157	20089	21007	18825	20840	38808	14482	3835	8378	50078	26277	25098	8862	71588	12176	8849	13200	10734	40209	43205	14465	27181	22941	18209	10870	3123	2599	6498	5100	4245	5930	6192	6236	12909	3968	32251	7985	10620	10181	14423	9045	17174	18363	0	0	0	7128	14065	0	8724	6109	20847	21293	26817	0	47413	52900	18934	12604	5934	11041	13970	7602	84964	54643	21322	55591	20577	10155	11700	6570	13936	4807	6781	4661	4560	5462	0	6311	17276	4943	12915	4316	3659	3065	58033	17783	16243	20275	18400	16357	0	8262	11642	23476	18962	0	19182	17796	35104	71464	73169	13861	7588	8367	0	10298	42942	0	5808	83659	Phytochemical	0.625	1.0	0.0
10	C16 H16 O10	369.08163	369.08212	-0.05362003	369.0816	115628	103043	93497	97283	182123	101450	31863	35728	244177	154216	156805	56483	368154	78949	42497	44271	54943	223529	231961	109039	171610	162643	80404	53682	13197	13539	35094	41927	32570	34958	32071	35078	77452	31778	201749	29654	78214	54983	49079	73983	136010	82371	3370	0	554	51280	94990	943	36910	36325	109273	117186	129701	0	288020	217720	84421	50011	47753	62656	72593	75129	370372	302277	86062	230029	98708	59662	71087	35822	86451	31690	33458	22577	46368	30814	0	42560	89904	96347	70799	39997	16017	21448	219738	79208	68342	85241	94122	53710	28102	52585	55713	190882	129874	600	98880	104437	190932	264726	222864	71188	48307	43169	74943	50358	170354	0	26069	427384	Phytochemical	0.625	1.0	0.0
14	C16 H16 O10	369.08163	369.0821	-0.0616394	369.0816	111637	93908	96355	105348	190812	129510	29010	39604	269077	101573	92637	56930	419962	87437	59384	44654	44534	285452	236003	85111	141954	157089	88228	42299	22896	9322	23507	39453	33805	33219	49129	35007	75600	39078	145505	31994	74792	62298	36853	80048	105807	82122	2863	782	618	54182	84759	940	42106	36266	107319	107358	134573	469	312488	196241	100490	55821	80422	52618	49169	92052	416464	323373	70536	242775	103977	42592	63896	33069	78048	34374	38359	29655	32464	35239	534	50450	89486	82587	65418	59933	20327	17372	177713	83866	59361	98784	106914	46073	30061	63308	60824	134412	84095	1295	117370	104577	163239	189295	162393	60400	49704	47369	76570	59975	127736	563	29512	409976	Phytochemical	0.625	1.0	0.0
8	C16 H16 O10	369.08163	369.08215	-0.08736435	369.0816	62447	64852	46136	62118	97329	47425	14756	20644	130843	87333	86027	33312	204509	27699	23995	27778	35768	112424	132187	52275	94396	88235	40995	26447	5756	4939	15673	26742	15205	14844	17301	17057	33839	16107	95633	13830	32299	27396	39000	34425	76455	55618	1267	0	0	34321	46650	0	24573	17309	57068	63241	66119	223	130262	132750	59638	20331	20709	33782	34615	40080	224555	157975	54242	128284	55370	39888	27756	16646	44858	22226	18983	9404	24430	16177	0	18086	50042	46817	40346	18921	9482	9579	134381	42660	41113	55654	50389	42159	11825	22721	39699	100282	80163	391	58697	54168	122066	192018	162330	38579	20297	28766	27513	29677	110271	0	14397	212012	Phytochemical	0.625	1.0	0.0
12	C16 H16 O10	369.08163	369.08212	-0.064804666	369.0816	130751	134153	129845	131951	222391	127452	41926	51982	324564	159201	161355	61656	397648	83212	67438	55592	66430	310769	294084	134464	188933	218210	104073	67724	23970	13095	32812	49920	40263	37117	43706	45797	90051	39210	202333	35334	81153	77445	59085	87772	169187	101260	3429	0	637	63648	140974	1137	44342	42825	140295	135519	164485	479	394889	243830	104886	61863	69484	62388	69150	111767	512904	366686	83433	286339	119841	61172	94046	42068	100340	43916	42773	30684	42740	38824	342	57687	100329	126248	85873	61207	24976	25896	221374	97392	86633	97775	111272	62834	36956	78796	72679	211380	139319	792	128553	132895	213445	243643	208330	88638	62189	60363	79028	62835	199463	549	26964	562342	Phytochemical	0.625	1.0	0.0
4	C16 H16 O10	369.08163	369.08228	-0.13872933	369.08157	4359	3510	3042	3783	7103	2401	607	921	10151	2541	3006	1494	17302	3395	1289	1300	1426	8261	9509	2356	2644	3101	2788	1600	221	712	888	0	0	701	908	1237	2018	0	2967	874	1917	1858	1006	1224	1992	2678	0	0	0	0	1638	0	0	0	2266	3209	5589	0	10364	14208	4280	1789	1298	1369	2852	1269	20264	8439	5238	9907	2751	2773	2088	0	2415	844	1105	297	0	686	0	1159	3448	0	2951	585	644	0	14451	3763	3950	3243	4154	2858	0	0	2404	2360	1780	0	2441	3995	8645	20532	18375	1581	988	1138	0	2049	9614	0	0	18263	Phytochemical	0.625	1.0	0.0
4	C10 H16 O11 N4	369.08884	369.0894	0.013672912	369.08884	828	969	1304	946	0	0	6193	0	0	0	0	0	0	0	4546	0	36146	0	0	0	0	0	0	0	3935	0	7241	0	0	0	0	0	0	0	0	0	0	5663	44221	0	0	0	0	0	0	0	0	0	0	0	964	642	0	0	0	321	327	0	0	0	0	0	0	0	2238	0	0	47294	0	0	0	0	0	0	4635	0	0	0	1057	0	2980	0	0	0	417	2681	3115	0	0	2927	0	0	0	0	0	0	885	915	0	407	348	0	0	0	0	0	462	0	1841	0	Unclassified	1.1	1.6	0.4
6	C10 H16 O11 N4	369.08884	369.08942	0.07485003	369.08887	3495	4804	3205	2723	0	0	29849	0	1168	0	1807	0	0	0	3723	0	104455	0	0	0	0	0	0	0	2791	0	26893	4527	0	0	0	0	0	0	0	0	0	19282	116269	0	0	0	0	0	0	0	0	0	0	0	3253	4819	0	0	5675	825	3160	0	0	0	0	0	0	0	6315	0	0	146982	0	0	4972	0	0	0	16628	0	0	0	7048	0	17587	0	0	0	2067	3875	14208	0	0	9702	0	0	0	0	0	0	4466	2995	3067	828	1383	0	0	0	0	0	1524	0	6962	0	Unclassified	1.1	1.6	0.4
6	C15 H16 O9 N2	369.09286	369.09344	-0.123580575	369.0928	14637	14890	15319	12941	19632	9427	4483	10047	26033	9439	12673	11336	28643	2888	7410	10440	10957	22038	24246	9001	18266	19513	13636	12417	1785	0	3977	0	7013	7390	8306	6030	13580	8903	15984	8191	12447	8890	15233	10951	19513	15051	0	0	0	7726	18786	0	8352	10558	15862	17325	14767	0	30826	16919	11964	11284	7023	11769	9279	8900	49738	31423	12098	24174	15504	16965	3067	2750	5948	9839	8064	5752	10526	6571	0	7331	8096	4626	7151	5505	2807	2109	21729	8451	9178	22867	16117	22392	0	6579	19527	10526	9966	0	15900	15350	12589	21836	19270	15573	11932	9489	6980	17376	15028	0	3822	44649	Peptide	0.6	1.0666667	0.13333334
14	C15 H16 O9 N2	369.09286	369.09338	0.004497637	369.09286	14944	15922	12015	13062	16390	14754	4750	8569	20195	8754	7889	12636	22932	9470	9118	9266	18739	23937	22513	4488	15658	34373	12838	6511	4541	0	5505	0	6349	4075	7508	0	14448	9300	11241	5003	13581	9705	14607	7476	11943	12688	0	0	0	6467	8671	0	7134	5551	11049	11805	15346	0	22463	11829	11165	9185	10160	10842	0	10761	30710	25365	9550	27452	13465	17260	0	0	3640	6781	6300	4316	9412	8240	0	9546	9701	0	8911	3605	1661	3108	18224	9366	12852	18589	17446	32263	3621	14218	24818	12879	7605	0	9070	10931	11999	13013	15956	13794	10469	7115	0	15754	13745	0	8353	33581	Peptide	0.6	1.0666667	0.13333334
10	C15 H16 O9 N2	369.09286	369.09338	-0.048541196	369.09283	33640	27457	29051	23052	29603	20604	9743	17668	43060	19183	27938	29749	53222	8767	18529	21814	29406	45293	45857	18007	35426	45388	32296	19471	5422	0	13855	3555	12471	14654	17926	17199	36100	12266	29202	15255	27882	18430	29018	21818	45663	28570	0	0	0	13040	32230	0	14900	17033	27363	31061	27596	0	54035	31420	19468	23191	23258	31455	20640	26907	69318	58173	21526	40713	29685	30568	0	3677	10954	19162	16906	9575	19865	13425	0	16398	23999	11572	17026	12415	6649	3514	34746	17015	21809	34640	26363	41845	6250	16458	42828	35145	21927	0	26562	23970	22672	32098	31387	28897	22045	16888	15536	27630	22282	0	13751	83694	Peptide	0.6	1.0666667	0.13333334
14	C20 H16 O7	369.0969	369.09738	-0.047042426	369.09686	33939	37930	28604	34812	28055	18109	15199	16893	33801	93679	69816	14062	34754	17244	20808	19115	9335	32883	33587	68259	67002	60212	18207	23064	15136	98148	13808	43518	10583	8700	12882	12554	16827	13853	106908	11710	16262	19648	16799	45466	61190	17758	0	0	334	34165	46394	0	15798	10466	32709	37828	21032	300	31764	23769	17512	22076	20439	15337	0	30620	40113	27342	14325	32488	21499	14949	82087	112383	132279	15650	9593	8398	8992	13679	0	15334	26686	35266	23779	32786	17474	41003	30567	18339	29623	16965	18358	28392	21201	24681	21095	45020	57590	599	34630	33187	28043	27761	29365	13617	14672	16516	27645	16480	24779	0	18824	32931	Phytochemical	0.35	0.8	0.0
20	C20 H16 O7	369.0969	369.0973	-0.080453776	369.09686	69631	71707	61126	54560	65127	43148	19588	17573	63124	172445	128256	19236	87516	46877	28007	31157	15883	73176	91253	130669	134178	116812	28548	26935	25155	179976	19603	102823	19702	13660	14899	17937	28583	15027	216651	15839	34225	22417	21377	102439	98668	32762	3024	0	803	69702	85967	1155	16842	16135	64168	71520	54214	1025	57994	50838	34305	27588	26019	25928	30411	67019	89252	58288	32857	77871	42706	24128	173954	174548	238668	20352	12345	9111	9953	17540	834	18178	52340	93717	44802	63216	24098	88750	72355	42552	48177	36826	32807	40070	48038	55173	39701	120062	123162	1092	59558	67871	64424	61931	62842	27655	22278	27300	58835	30631	53431	1077	26637	86172	Phytochemical	0.35	0.8	0.0
26	C20 H16 O7	369.0969	369.09717	-0.16036065	369.09683	7148	5754	4962	6212	11015	6043	0	0	10992	15431	13578	0	14642	4134	0	0	0	7090	13008	10249	15584	18873	0	0	0	19227	1926	5970	0	0	2634	0	1830	0	28025	0	3078	2695	3850	10430	16992	0	0	0	0	9635	10431	0	0	0	9042	6505	5899	0	7288	6838	3967	1665	3066	3863	0	5672	14946	6579	3645	11548	7296	0	25791	24877	37264	0	0	0	0	0	0	0	7338	14949	7756	9896	2527	6852	7700	0	7375	3064	3041	3248	3388	2857	0	19793	23834	0	7087	7211	6231	13065	10245	0	0	0	0	4706	6373	0	0	11870	Phytochemical	0.35	0.8	0.0
22	C20 H16 O7	369.0969	369.0973	-0.080883324	369.09686	31402	36193	31951	34673	42912	24559	8825	11025	47575	90829	67471	10821	43909	30428	17771	13866	12547	49683	39794	46534	67774	65483	19955	14002	17367	121042	10051	56174	8852	8370	7994	9285	13403	8769	108286	5738	17491	14954	15195	46311	54641	19940	0	0	1036	38843	50679	2959	11810	6710	35585	30344	31199	1749	39299	41509	22272	21132	12579	12996	14506	35537	49916	37085	26957	40737	26526	14359	103689	100691	127750	7985	5457	3011	8291	8267	1423	10627	32426	53742	25022	42808	12542	44063	60243	30290	34857	18809	26724	17845	26065	24308	21026	73640	78959	0	29119	34156	34354	45479	39599	18273	13106	19165	34476	8679	33470	0	18163	51005	Phytochemical	0.35	0.8	0.0
16	C20 H16 O7	369.0969	369.09735	-0.04737627	369.09686	54179	53196	50532	43855	52575	26187	23280	24229	52556	154881	119941	17914	58390	35735	22822	27933	19888	60127	68233	125651	114504	84604	30001	31336	22876	168142	19433	80170	20613	14943	18134	21578	28597	14044	191747	18052	36862	24041	25137	74489	88393	25546	1328	0	371	53023	72811	636	20059	18558	58026	54168	41504	491	51146	42284	27940	34540	21174	21819	24514	51899	72803	49361	25257	52151	32147	23109	152942	182931	211097	17656	17294	12681	14854	15741	0	14650	44115	70163	36141	59691	25552	69286	62041	29785	42908	30373	34507	45506	41970	41746	34511	89918	104726	1119	56070	42701	48254	43682	52373	28999	20562	31044	38382	26794	44411	0	29232	70439	Phytochemical	0.35	0.8	0.0
28	C20 H16 O7	369.0969	369.0972	-0.15153977	369.09683	6120	3936	5899	3662	6542	2544	2272	0	5839	12759	6097	793	9022	3720	3224	0	2270	6133	10443	6250	7690	11583	1947	2947	2698	10311	2368	5461	0	0	954	0	1190	0	13667	0	1789	1630	2721	4612	8353	0	0	0	0	3759	6073	0	1169	0	4177	4292	3368	0	4858	4600	2570	1002	2062	2007	0	4090	9201	4506	2222	9428	3875	2526	15340	10755	21236	0	0	0	0	1080	0	1069	5043	12094	5223	4419	1745	3858	7977	3736	5757	2789	3431	4076	3652	3136	1582	13032	11820	0	4934	5227	3541	7592	6792	0	1183	2227	3109	1895	3038	0	2066	8192	Phytochemical	0.35	0.8	0.0
24	C20 H16 O7	369.0969	369.09723	-0.0837874	369.09686	16722	17480	14130	16516	19365	10913	4042	5664	18978	32501	21862	4953	21300	11565	6237	8156	6640	22353	24942	18488	27762	26463	11346	9447	7580	42735	6447	18986	4945	2825	3346	4313	6151	3305	42043	3821	5464	5934	5145	20170	22254	8528	2382	0	0	13050	27652	2192	5825	2188	14362	11307	15602	0	16720	13932	9363	6556	4476	7271	5962	16423	23932	17508	8619	21710	10554	6229	43726	43329	71656	3169	2410	2013	3697	2684	0	4411	17148	26818	15838	17245	3399	16588	27106	12397	12855	12538	11768	10193	8346	10192	5217	32695	43404	0	16278	13606	16696	22386	20708	3954	3972	7797	11234	5079	14357	0	8158	28848	Phytochemical	0.35	0.8	0.0
18	C20 H16 O7	369.0969	369.0973	-0.08106419	369.09686	68605	76287	63284	58912	69767	43173	26587	25681	66076	212700	156629	20023	82809	40657	29417	34730	23784	88449	90961	168510	152224	115077	40382	37102	27344	218748	26662	109890	22735	20117	22723	18366	36915	22448	249673	18006	38456	27483	25589	102975	113808	32797	3195	552	521	80373	77576	910	27802	15267	60783	69609	52043	875	73304	49768	40355	37270	30767	27714	30242	74227	102318	58410	36404	80655	44748	25442	203858	221331	274314	19515	17739	8008	16318	23983	443	17711	49578	96946	48650	73126	26791	81467	73205	42889	54612	41413	39092	45069	53884	61398	51735	114180	158914	1384	66123	60629	69815	75757	65844	28328	20215	33719	50430	31355	54220	520	30572	89563	Phytochemical	0.35	0.8	0.0
12	C20 H16 O7	369.0969	369.09738	-0.0769386	369.09686	16349	20574	14163	19655	11751	5752	7673	10898	14769	48874	33525	8230	15502	7629	7728	12401	6154	13937	16593	31178	30251	27341	11438	10621	7772	40500	9621	23621	7046	7147	10012	7396	12746	8005	55133	4333	10617	9920	11155	21833	22473	8070	514	0	0	17664	23670	0	10727	8127	16147	12916	9230	274	13987	10711	10477	12086	7794	7837	0	14455	18338	12333	6119	17883	8358	9001	56623	49956	59306	8435	6191	5074	7327	10266	0	8013	17868	0	12550	16414	7898	13124	16658	8283	12863	7705	11415	16515	8981	8585	13822	22219	26169	0	15931	15233	15355	13464	13929	8058	7443	9551	0	8102	10507	0	10641	13545	Phytochemical	0.35	0.8	0.0
18	C17 H20 O7 S1	369.10025	369.10074	0.11803174	369.10028	63710	34887	30480	38094	30354	20592	13492	7345	22385	147195	54666	16076	35514	10657	7878	20080	14960	76738	25144	104235	90356	99163	19282	10006	8872	66063	6094	64400	5696	6866	4615	6907	10764	0	155489	6649	22578	7819	3825	96372	51876	10537	861	0	0	33250	18601	0	7565	6656	27204	35881	17363	0	26193	22549	11963	22984	31520	15512	12992	62794	21087	19938	11927	24322	15576	8342	57525	116610	70381	13166	4366	4558	4840	7007	0	3201	25514	49593	8031	22425	20060	55709	23249	10415	12611	11144	12582	11258	72005	94527	18762	60593	115937	0	28939	30586	18390	20035	35852	8693	5382	27487	22654	10495	18316	0	10840	33288	Organosulfur	0.4117647	1.1764706	0.0
20	C17 H20 O7 S1	369.10025	369.10065	-0.026035378	369.10025	22316	20247	21886	14051	17429	19256	7453	3962	20902	57342	18110	3880	21034	7742	6061	8356	4892	24813	18199	50522	47684	39935	6886	8104	8062	26705	5049	27260	6906	3401	4272	4452	6018	3717	65184	4070	9132	6475	4455	53261	19481	22060	633	0	0	14589	11979	0	6514	3317	20657	16556	16664	0	14034	18953	16528	8477	20549	11847	7298	37626	15600	10905	5641	19490	9010	5393	27403	61088	31596	6204	2374	1785	3595	2572	0	3519	5626	29106	5558	14388	10562	19746	15078	13302	9803	7234	7725	8586	44988	60492	11200	29021	44892	0	16411	16198	12564	12889	13853	5999	3278	18397	13126	10691	10251	0	5204	25979	Organosulfur	0.4117647	1.1764706	0.0
20	C19 H16 O6 N2	369.10812	369.10852	-0.065905325	369.1081	6412	7421	4718	6484	0	3357	1798	2034	3546	13047	10942	3186	3566	3496	3645	2950	4662	3907	3491	4457	10134	11021	3862	4907	3133	8901	2146	6322	2394	4237	3200	2636	2826	2493	8294	0	2562	3685	4376	12313	23246	2377	0	0	0	8741	16765	0	2140	2449	4958	6199	3709	0	3834	2470	2106	3945	2970	5707	3130	7387	3290	3451	3029	3233	1824	4674	13669	11206	25616	2105	1277	0	3820	2893	0	1565	4531	14552	6267	7607	3632	11114	2450	2036	6003	4043	1740	10874	6992	9178	6028	13893	10121	0	5705	4235	1974	5091	1894	2975	2244	4605	7124	5851	2150	0	7421	4229	Phytochemical	0.31578946	0.84210527	0.10526316
12	C17 H20 O9	369.118	369.1185	-0.029250002	369.118	1561762	1623798	1690352	1656924	1341062	529766	455988	1222214	2038284	3720280	1005266	777562	941469	604030	949430	1192912	907478	2230748	2306898	3056580	3219058	2280612	1213358	1218492	566736	610356	794666	699560	1055890	972584	549714	1102418	1458424	1015108	4670610	995232	1377592	1027314	1002966	2147574	2042008	907920	15577	2577	2470	1276354	1376536	2945	1184652	1087754	1705276	1641988	1225434	3170	2939780	641926	429777	1163994	656886	582063	765971	1591900	1241740	2081188	321162	841605	1019806	470484	1040726	2284048	2374986	1066324	510571	1004608	885126	1010020	1609	967310	1213796	541635	1157636	1060506	422770	1027534	1368000	922068	1070794	833444	1054588	961310	444288	1334480	1160356	788436	1902930	5207	1702088	1610730	1495650	1167776	1071588	1388308	886582	645865	569177	988016	1280078	2630	693972	1341167	Phytochemical	0.5294118	1.1764706	0.0
4	C17 H20 O9	369.118	369.1186	-0.16106951	369.11795	22310	22638	14528	9078	8595	6386	5376	19208	25478	11842	11916	15550	13119	6853	7736	8501	21960	20124	12895	9233	14326	11125	16488	13041	4460	4261	6226	3843	6948	7326	7140	7579	9530	5039	13294	8677	19302	13416	13236	7037	21894	9149	1337	830	1414	7430	10745	918	6420	8279	9525	17102	18320	1352	22542	12576	14296	18958	6432	16818	10442	5689	14621	12129	8844	10024	7176	10809	11360	6683	10703	6505	8243	16310	3088	7827	909	6092	9053	0	13630	5615	5597	3498	14290	16382	7995	13550	18500	22600	4590	6158	18320	7445	5790	2081	18308	20480	10044	31162	28168	10442	15262	11336	6207	15802	18990	895	5013	29386	Phytochemical	0.5294118	1.1764706	0.0
18	C17 H20 O9	369.118	369.11844	-0.064522296	369.11798	263817	241198	242416	227866	239371	212044	116436	212325	313989	324249	169384	131957	485930	135631	226242	188349	114369	434572	383001	311047	304189	257258	207739	220081	137185	154769	104699	122904	193802	161949	194065	194631	240883	206442	390585	175877	296046	164242	130400	282664	189616	152515	9191	2636	2719	216092	168018	2714	206650	181298	251420	245820	207620	3285	517447	212513	143177	210701	190560	112006	194891	203711	433434	353356	117394	295604	181603	135907	206566	317011	279173	207707	175212	187200	123496	204723	2577	162287	205103	122456	181577	169958	121910	132562	259845	163912	180966	150482	173953	124942	172178	212847	213048	138357	185928	4504	246092	228216	216264	181666	181719	203400	144017	191281	127678	168248	173985	2896	127674	468051	Phytochemical	0.5294118	1.1764706	0.0
22	C17 H20 O9	369.118	369.1184	-0.048288543	369.11798	30118	22103	25604	26084	26756	25205	11405	31385	31382	32845	11253	19363	39744	13385	24409	24345	17496	43842	38276	29151	35186	29870	26061	26146	19828	18884	12912	9822	28493	20927	24910	22667	26828	25849	32730	23133	26667	17415	16982	28964	19983	19160	3333	0	2794	24196	19895	0	25816	25397	29259	26693	23400	2168	48913	24470	16885	28047	22864	14202	23530	22160	40779	36275	15430	33209	22496	14195	23453	30574	29796	27608	21514	19656	10240	26398	2429	23526	25298	12857	28261	23126	15701	13114	39632	23557	24546	16302	17515	11751	17627	21971	31204	15721	16415	2805	25770	24507	23997	23741	21130	25850	23942	21562	20584	18845	23065	3622	18274	44293	Phytochemical	0.5294118	1.1764706	0.0
8	C17 H20 O9	369.118	369.11856	-0.07027436	369.11798	351482	374372	127152	341644	253090	177550	183140	275056	380318	608664	416006	244784	419502	64235	233654	164383	280096	370278	409312	269380	293147	420640	310650	334868	111784	202894	98510	116159	124124	265930	247524	284128	280912	239552	716980	115787	292332	122056	327848	367368	239798	109322	3778	906	1516	146988	397658	982	273806	270410	175693	333752	228558	1411	493326	302308	189214	135846	132142	317038	159781	276320	467654	406926	174148	322638	218972	174717	200327	180026	620380	273352	253830	230918	204402	270764	1083	218484	361546	103739	147289	104947	191154	181020	181740	91255	135668	202956	235344	297880	76280	125142	314744	304952	329376	1960	341008	172839	310276	351578	154820	298528	217194	378990	113458	254552	306810	1148	181914	223474	Phytochemical	0.5294118	1.1764706	0.0
6	C16 H20 O8 N2	369.12924	369.1298	-0.107057534	369.1292	173068	202418	172950	179506	98309	82686	91268	209904	136748	160747	131784	162811	148143	34900	136442	226140	242328	182311	199832	144446	215439	242126	162529	230602	59700	14015	96129	57203	164785	178692	192662	202044	260255	190748	202647	183712	220952	136418	344406	125893	248297	132946	1075	0	0	161035	231120	0	237128	192457	193635	182091	124693	0	162712	94411	92058	194672	153196	247495	218205	115529	197626	153917	83197	158454	148237	341426	39396	43224	69456	189721	191404	170363	124433	159921	0	115542	118376	70258	110270	84139	87129	50709	103201	91132	119962	177956	165889	263023	83414	140147	282792	125280	118005	403	188615	169734	74275	100491	107068	255820	156406	222899	125472	233505	95547	0	90521	247423	Phytochemical	0.5	1.25	0.125
20	C16 H20 O8 N2	369.12924	369.1297	-0.006781664	369.12924	9770	10627	8358	8274	9196	10566	0	14526	6484	6572	7108	3797	13076	0	6312	6908	8346	4010	9822	0	6490	11008	12392	13554	5384	4205	4238	4499	5428	5932	10406	13040	14018	11726	0	7760	9008	4806	7064	6082	8977	6206	0	0	0	4012	0	0	8414	7048	8664	8079	10654	0	14537	4532	6620	10694	5656	4140	8965	3336	11136	5720	0	11012	6698	8218	5906	4444	10426	12200	9248	3694	9361	3970	698	10572	7266	3312	8214	4361	4074	0	7460	2706	7650	12864	9430	5648	11782	8934	25692	8771	3886	0	7218	8320	3928	4514	4166	8658	7274	4656	2896	10370	5738	0	10888	26012	Phytochemical	0.5	1.25	0.125
16	C16 H20 O8 N2	369.12924	369.1297	-0.08441262	369.1292	176399	196172	178421	172594	134442	108436	166203	153609	149185	235332	147756	113697	145875	90491	176371	190899	119411	204472	215540	234572	216998	201856	157593	187774	139583	362846	121890	138363	153593	137499	150395	173754	213905	136547	264595	137139	203851	148632	132651	187269	184556	115685	3835	1191	1562	146554	138364	1443	184118	146508	182731	179260	145727	1787	150748	91697	110900	187479	121224	108339	182583	129284	150318	128110	94612	167354	139484	132251	285203	393735	425096	155163	136038	118790	109832	140121	1169	109697	201271	129895	140737	117566	102270	137919	130698	117156	184309	141261	141203	190656	146336	150070	305408	120209	142403	2441	172515	161463	125238	115121	110100	208829	116766	128317	84513	220332	117032	1613	162461	196116	Phytochemical	0.5	1.25	0.125
10	C16 H20 O8 N2	369.12924	369.12973	-0.12009205	369.1292	354596	312872	283708	289454	183037	234643	193896	428365	245661	270795	178524	301780	272482	89428	306516	346557	297544	452312	458129	290991	322716	463154	352197	400459	161759	24581	207139	106445	364650	332557	359867	371996	581027	353959	391178	347589	590241	282229	351862	347202	331349	285428	3100	0	0	270101	261457	0	376472	337568	327767	344162	244088	500	349205	133286	147949	369239	374682	275944	383873	244095	273274	283432	162961	289653	316475	353894	84004	112305	108140	370208	338575	314344	268824	311023	0	290963	237398	139573	237237	170218	179550	105863	142881	145386	223541	282403	338317	338546	185723	298040	589863	218367	233548	1396	316491	324246	128186	119351	126376	476559	322100	349590	201086	469673	138046	0	185230	430218	Phytochemical	0.5	1.25	0.125
12	C16 H20 O8 N2	369.12924	369.12973	-0.14354317	369.12918	231560	241678	262353	236956	148232	178105	189294	306111	206446	181016	160278	240394	158607	66644	323665	235735	257204	302176	375716	205754	208831	360109	350920	270415	148083	25638	150281	122362	264768	193336	302334	277568	531045	262254	276054	228634	369724	309734	264183	229964	239252	218521	2669	576	294	214772	209704	0	261590	249171	256674	238782	211679	332	279757	93600	141354	269837	266571	208981	306366	192577	213424	210532	142683	229076	245720	263530	59090	90136	103088	260712	236710	229061	200510	208840	0	293919	198716	117734	184124	136338	127111	86775	108545	128723	197757	249293	336960	304495	165403	269013	446704	157269	139006	930	252327	257187	121261	84142	86013	387076	338188	194908	164728	393005	111932	0	158973	316466	Phytochemical	0.5	1.25	0.125
26	C21 H20 O6	369.13327	369.13367	-0.089285426	369.13324	19836	19569	17219	15618	29755	12334	3180	7238	17853	31067	29874	7558	31099	11897	9836	11270	9526	20311	25822	37645	33674	22546	11157	13675	10919	51184	5687	26772	0	0	7502	6921	9370	7651	43399	7679	10858	9364	9535	25321	37462	7538	0	0	0	27505	25579	0	8640	6375	15755	17241	15549	0	17596	21722	7755	8048	8726	5949	9306	17640	32858	19256	6035	25637	17651	11063	69674	61143	89114	7817	7246	0	6129	8547	0	5535	18805	21514	12513	17183	8244	22059	30953	9725	15046	11270	10643	9029	11212	10917	13474	22445	24907	0	16265	16585	14442	29981	20617	9785	7495	8585	12991	8436	13511	0	12657	25311	Phytochemical	0.2857143	0.95238096	0.0
20	C21 H20 O6	369.13327	369.13367	-0.09031435	369.13324	180078	180231	175515	156253	162543	111610	60634	118191	155435	408099	327301	69926	175331	134188	101570	118660	80013	178868	206033	376733	397882	206104	114081	123286	92568	781160	68837	289181	93171	84031	86816	90838	108356	85896	428354	78572	114465	81601	94549	291056	285262	93067	6762	2253	1626	185685	192892	2902	100736	105618	159138	175030	127895	1825	135434	138787	85619	115127	89488	81031	114906	192339	186871	133949	83682	162535	120239	93072	637325	790592	939594	99666	79602	65730	65938	87377	1615	73599	144162	155865	128727	132234	86670	252320	157845	102842	132471	104694	101964	116063	138427	147370	159209	183908	210053	4845	163397	167387	151335	134604	143601	109579	71411	124779	141063	111558	131101	2902	92653	194359	Phytochemical	0.2857143	0.95238096	0.0
24	C21 H20 O6	369.13327	369.1336	-0.09842986	369.13324	43627	42810	39716	45565	50390	31021	11231	21842	44578	97325	91139	15979	65342	34743	24173	26772	18394	58287	63107	89428	103040	64356	31719	36557	18741	184881	11475	81684	17452	18704	20552	22914	27191	17188	124563	20436	25416	20093	22499	69036	82124	23056	4692	0	0	54399	64553	0	22904	19458	50625	39125	40472	0	46964	43288	22585	27759	23060	18149	25535	59275	60277	39200	21642	62125	34857	19770	183832	177775	221712	22835	18449	13562	11565	21266	0	20497	41301	46552	36856	43928	19884	62280	59456	29804	37272	27799	27501	26400	27774	28563	40686	54809	60991	4014	44571	47981	37735	48065	55085	25933	11921	27600	40145	21264	38600	0	25275	62907	Phytochemical	0.2857143	0.95238096	0.0
28	C21 H20 O6	369.13327	369.1336	-0.1724423	369.1332	10186	7029	6935	6687	9401	5366	2364	4251	7787	19291	12322	3019	11348	7396	3744	4640	5232	9648	10015	13666	15937	9377	5238	5404	4087	26067	2889	11637	4015	4382	4219	3297	6206	4728	19365	3188	5564	2556	4020	10378	15715	4099	1590	0	0	7277	8628	2011	4809	5342	7996	6170	6851	0	8674	6891	4024	4795	3046	2675	6974	7258	10483	6152	4169	10254	6776	4437	26543	31112	41651	4489	4633	0	0	4385	0	3328	7968	9806	6029	5854	4305	10837	12078	5219	6928	5595	6800	6374	4635	3978	6708	10406	9474	0	9552	7888	6392	10214	8763	5407	3074	5420	6426	3862	4873	0	4813	10976	Phytochemical	0.2857143	0.95238096	0.0
22	C21 H20 O6	369.13327	369.13364	-0.11747804	369.1332	120447	117944	102896	116555	120996	85971	41464	64664	126787	247181	239032	42063	121232	97255	60845	75919	50704	144333	118447	243569	260208	135422	76524	86018	62880	513198	36185	206210	57122	49477	54676	62306	80306	56071	324571	53172	68977	56197	41132	179149	200940	67020	7585	0	2785	118560	135577	3456	58864	59016	131116	118096	95581	5983	100686	99762	62270	83659	58423	46050	70562	136288	141825	89652	60319	121857	82819	47193	432172	506004	581871	64058	45887	40755	33737	53442	1978	46795	104817	104860	82813	100397	52457	147708	124890	78090	97953	78590	79986	80338	82673	98715	91422	138309	169112	16710	107421	115662	100199	109851	95404	66758	42840	77075	98472	70596	94387	0	62926	140057	Phytochemical	0.2857143	0.95238096	0.0
24	C18 H24 O6 S1	369.13663	369.137	-0.023113126	369.13663	7417	7952	9513	7887	10234	7011	3811	6101	7406	14273	7315	2273	10171	8160	4895	9377	6245	13013	10870	18671	16091	16212	5821	8265	6599	9858	1465	7301	5570	2697	4500	4139	6910	3855	17257	3843	7275	4500	8343	13100	10130	4716	0	0	0	10022	9400	0	5695	2712	8630	9973	6347	0	12574	4743	6649	9132	10396	4728	8618	8682	3825	4931	3816	9449	9661	8148	11060	20719	17421	4296	3076	2764	7718	3619	0	2743	3773	9067	3675	7414	9171	10837	5028	4205	6775	5552	5575	10209	19837	29871	11298	9556	15643	0	8049	9341	5442	4809	4405	4706	3119	10625	15278	6380	5734	0	4654	10849	Organosulfur	0.33333334	1.3333334	0.0
22	C18 H24 O6 S1	369.13663	369.13702	-0.06790947	369.1366	17081	15273	22655	18852	17373	14649	7110	6023	11919	59867	22798	3939	19026	9694	9533	12940	10686	25588	18617	41244	49559	43670	7676	12481	13669	28250	3653	23311	7619	3572	15504	6776	11768	7374	54188	10023	14782	7733	8012	39586	25485	9580	0	0	649	19292	13950	0	9553	6199	20146	20155	15605	664	11281	9885	8767	15092	26656	12384	10420	36231	16216	9026	8409	20716	14482	9583	26948	51412	32150	6493	5080	4157	10200	6803	0	4206	9000	18785	6104	18045	14295	20948	14123	9570	18165	11882	12363	19088	60107	74622	19231	34826	51905	0	19042	19801	15606	24984	25586	13775	5707	24651	15991	14923	14377	0	12637	21111	Organosulfur	0.33333334	1.3333334	0.0
20	C18 H24 O6 S1	369.13663	369.13712	0.19753887	369.13672	32383	27902	31800	25403	43990	21116	22578	23278	25079	60647	30894	7211	45798	16374	13657	20018	32982	35080	29229	68720	60331	59855	31114	40556	34996	51182	10385	33716	14712	19086	11768	29064	23059	14741	68797	25352	31930	13021	31954	58519	50952	16113	1090	0	1428	27954	29243	588	18536	14340	30663	23526	27644	1527	25396	21736	14344	23391	30732	26215	14334	46768	22500	32944	13315	30986	19317	18397	33750	61958	55364	9704	9771	6809	13855	11173	1587	20394	19666	37874	9133	51454	25834	39597	22579	17907	19299	16790	14796	16455	101652	89446	24130	51615	74800	878	29315	29818	19937	26629	30314	16164	16740	31124	29206	41240	19466	649	10769	36500	Organosulfur	0.33333334	1.3333334	0.0
2	C15 H20 O7 N4	369.14047	369.14108	-0.23705985	369.14038	10007	6313	6379	4860	8124	0	6280	7956	8486	3293	4413	9378	11554	2568	7532	1185	12864	8590	8803	2951	5666	11457	10411	8306	2895	0	0	1715	7874	3972	8022	6327	11237	7122	4832	5836	10486	8148	14660	2610	6362	8371	0	0	0	2943	3976	0	7995	6293	6578	8939	7689	0	8566	4472	4925	10023	3316	5236	2541	1717	11039	8203	7028	11967	9454	19027	0	837	1015	7660	6924	4748	885	5971	0	6806	8212	2733	7367	2099	2198	714	5189	4309	8374	12054	8732	23509	5359	7767	23090	3110	322	0	7205	7129	4008	6213	4384	6091	6672	3806	3033	12277	5817	0	7282	13220	Peptide	0.46666667	1.3333334	0.26666668
18	C20 H20 O5 N2	369.1445	369.14508	0.29789752	369.14462	49220	60566	50096	62544	39146	40972	22208	28200	31096	65220	81688	30956	47163	27308	0	50140	54122	57940	52207	65020	84084	79205	35024	58292	37940	106140	25112	80984	35768	33851	39096	25036	54488	0	66691	5587	64755	30676	56800	111930	160272	31610	0	0	0	57240	101208	0	40216	35975	68706	53065	29304	0	54200	23940	15512	53236	25772	47860	48120	71540	30435	37460	18608	30696	34456	75368	95096	140639	207104	32944	7161	19356	35277	0	0	25824	68796	89096	39557	55132	37440	77344	17276	27526	47509	60033	32668	123792	108432	62868	86252	76848	98592	0	49004	57488	20541	19349	24412	46768	17240	48736	47884	58992	20395	0	37008	35031	Phytochemical	0.25	1.0	0.1
16	C18 H24 O8	369.1544	369.15485	-0.097950436	369.15436	1348511	1406863	1412356	1381593	1087701	1036206	1766826	2797216	1452596	2479056	1100877	1656944	1742949	650726	2497974	2584566	824053	1937851	1947047	2675031	2284555	2958028	2623796	2965062	2065460	1357582	1499906	1005995	2753748	2467646	2637376	1387520	1693566	2342954	2924946	2737764	3451146	2044128	1856632	3640214	950949	982109	28516	6493	6154	2327742	782926	6703	3044942	1275326	1406354	1407841	1137106	8790	2157743	1054912	747508	2907326	2606130	730876	1399239	1111476	1676490	1524327	588281	1372538	1043269	835154	1154498	2563136	1506103	2790834	2651598	2678064	911515	2630978	4764	1967206	1246879	679587	1960636	793415	2214816	977439	1056911	803381	1077858	1741900	2167086	935190	1229201	3311890	1719741	764692	1199453	12560	1401353	1471178	933951	891870	925903	2967714	860649	1401738	568001	1298643	927597	6113	919772	1833861	Lipid	0.44444445	1.3333334	0.0
4	C18 H24 O8	369.1544	369.1551	-0.2138277	369.15433	13906	7494	5387	6571	8250	3025	12078	9920	5887	5749	5187	12176	10396	4683	10884	11410	20410	11058	7173	11840	12194	10515	6891	9001	7724	4927	11950	0	17278	18078	13354	12416	16788	4530	14272	8475	8608	6957	22216	5123	13986	4568	2796	1419	2255	6629	15406	1831	6952	9085	13842	12888	8186	1757	14688	12672	7252	8330	12982	14966	16596	3642	11930	12236	4757	9056	6348	17744	6871	5836	5990	6989	11612	20490	2880	9796	1333	12306	6410	0	13934	16088	13418	2695	11672	8522	10892	2839	5524	16002	4770	5051	18458	4697	5402	4231	13990	7882	4199	11392	12868	16798	13294	8795	7497	11770	7532	2049	6412	11958	Lipid	0.44444445	1.3333334	0.0
18	C18 H24 O8	369.1544	369.15482	-0.096171126	369.15436	1072041	1042078	1072516	1031707	829734	838178	602673	1084868	1118024	1976854	708206	570065	1634904	539852	975395	874112	448090	1590684	1613860	1992989	1441888	1122338	897873	1051420	742948	786551	489519	1431836	1106964	917730	1032802	1012957	1314028	996645	2147446	1012192	1392939	751757	537798	1382724	561202	739019	24752	5326	4845	844391	442289	5454	1093760	837363	1075931	1061314	867761	5795	2088378	851357	562804	1048198	1001978	420644	933797	855946	1415540	1337122	423368	1112209	797914	497104	708652	1766493	927038	1039361	871602	1026478	524968	978299	3391	785522	792183	419018	726513	526896	681352	589125	732876	645864	698554	599169	804364	468861	1058058	1345662	1134471	483754	898459	10878	1039098	1020771	716341	642604	585168	1081071	611380	1116297	390863	760305	624824	5441	620618	1511527	Lipid	0.44444445	1.3333334	0.0
24	C18 H24 O8	369.1544	369.15475	-0.13079225	369.15436	32792	30844	27356	25457	27077	23194	15981	32097	32715	42634	17257	21911	49436	16588	31020	30687	20968	44355	48076	32419	44535	30138	36836	38089	19735	19966	12050	16118	32489	25252	32148	31917	33497	32565	47321	33220	36813	23934	24018	33335	21318	18459	0	0	0	24522	17549	0	33733	26354	32301	32038	26149	0	49020	26866	14055	38888	24352	12143	33195	19390	47498	40434	15184	35147	20513	20984	21267	40580	34468	33013	33850	27144	20959	30423	0	25050	31265	12590	30104	13536	19011	20606	29373	28978	29067	15966	23487	19051	29706	29572	37334	14543	26594	0	29698	29821	19768	27284	25650	31777	21976	33771	14624	31845	15743	0	19726	52560	Lipid	0.44444445	1.3333334	0.0
26	C18 H24 O8	369.1544	369.1548	-0.088533595	369.15436	12285	14468	14778	13110	11333	11910	5807	15781	12900	20014	6295	11224	22381	7306	16322	13020	9090	20897	15527	17627	17012	16422	14715	14933	10743	6006	4467	5215	15467	12920	15430	12036	15364	17723	23686	17691	21982	8572	10796	14306	11214	9270	0	0	0	9246	7630	0	16421	10989	17190	11164	12356	0	21094	12215	8172	15155	12354	7780	17209	10237	20578	15083	4714	17038	9019	9338	10957	18798	13067	16380	13214	18839	12375	12621	0	14310	11680	0	12068	6870	12738	8737	9525	0	11845	9498	11185	10292	14970	11596	19752	7091	6678	0	17178	16678	6516	14602	13414	14306	12029	13039	0	14719	0	0	8221	21605	Lipid	0.44444445	1.3333334	0.0
28	C18 H24 O8	369.1544	369.15472	-0.17936072	369.15433	10439	9695	9487	10913	7757	8846	7445	12173	7804	15486	6221	6872	16060	5399	8670	11189	9035	12030	11871	22686	14610	10469	11702	11637	8175	13174	5685	8101	12788	12091	10945	10402	13360	10283	17513	10913	13428	8184	6742	9812	6566	8345	1855	1516	0	7993	8257	1120	9935	10426	11929	8361	8531	0	12907	8106	6629	12530	8406	5196	15158	7380	11009	6856	5142	9502	7199	8190	9856	20650	15445	9912	10123	13029	8375	10934	0	6516	7930	4086	6896	7055	7517	7125	6111	3907	9314	6092	8502	6706	12568	12729	13225	5298	6817	1715	11801	10019	5551	7727	8572	12267	6882	11497	6435	10099	4526	1783	7325	13219	Lipid	0.44444445	1.3333334	0.0
24	C22 H24 O5	369.16965	369.16998	-0.11311043	369.16962	173789	183689	163423	175548	165589	117706	61002	131026	144477	294597	318177	73866	198641	116446	99368	142296	95897	176514	221958	372369	362561	180799	113297	169822	107619	736905	61038	316979	115164	116214	111800	118122	144613	122876	347895	124304	163783	80147	109095	267349	284760	114632	10272	3428	0	176242	160603	3649	125924	113016	173165	160305	148480	0	139820	134667	87994	138411	106360	86686	146818	197149	175738	118679	77003	204603	157705	105337	622390	605351	749815	129535	103846	96851	72274	115744	0	89817	141833	139205	107845	120160	100525	220107	163299	103327	154653	119492	132580	129435	142467	142263	195886	166116	190348	5115	166878	186731	129142	139224	151754	146070	77776	161798	121737	133438	124220	4464	101207	167818	Phytochemical	0.22727273	1.0909091	0.0
26	C22 H24 O5	369.16965	369.17004	-0.12908798	369.16962	54586	48062	45188	50823	54274	33235	20313	39922	46624	72496	79701	20723	60693	36842	32059	38937	28597	59052	68065	94003	94689	65056	39099	48543	34751	168468	16454	78294	35803	39103	39311	33169	47362	34012	86714	34910	50367	28662	31481	68509	77045	37458	0	0	0	50545	55338	0	40514	38744	52187	45245	43982	0	47034	49434	28721	46985	36747	27185	43690	49240	47786	37906	20274	68070	64474	37986	156738	139126	169030	37882	34641	38037	23818	36573	0	29488	45413	61374	33364	35938	30659	58826	61715	25380	51938	38768	38090	39593	40332	41876	63478	64378	54422	0	49202	52973	41479	53668	52054	48620	21331	44157	37870	35904	40295	0	32659	48416	Phytochemical	0.22727273	1.0909091	0.0
22	C22 H24 O5	369.16965	369.17	-0.09989445	369.16962	310945	333115	287628	315574	297392	207527	140050	258802	266935	507670	487215	154311	243713	214238	195427	261475	200354	316233	312042	607780	641142	326239	227683	284891	210469	1351273	138164	454636	241023	218564	206584	229694	273370	228205	544028	228065	291037	180342	214245	483497	512246	203902	12238	3349	2378	291478	319972	4148	239962	216183	325360	316536	244177	3240	235539	221689	174328	278194	189927	181445	282526	317806	249645	197094	145625	298425	247426	219694	1112421	1227000	1515542	236572	203101	189642	159189	226519	1783	176454	261848	234703	213395	213923	183297	348772	270163	190070	290913	221869	218837	268292	275071	296151	331282	274815	324692	4608	294062	314640	207690	241524	213701	276895	163521	306522	194070	251890	212150	3494	195785	285897	Phytochemical	0.22727273	1.0909091	0.0
22	C19 H28 O5 S1	369.17303	369.1735	0.1514754	369.17307	16651	22179	19907	20959	23740	19339	7529	6872	16827	20945	15843	7700	24373	9420	11495	18547	13183	29176	28545	28512	24019	23567	9507	17971	18122	14452	6855	16294	10708	10130	9477	13650	16202	14558	25081	13849	35272	8229	14160	20924	22575	17646	0	0	0	17757	27543	0	11906	4351	18233	14479	22251	0	25034	14880	14108	16161	15735	14164	15009	30070	13506	11933	13895	37302	28489	18354	10785	20312	33326	10555	9780	6659	9133	5963	0	4490	8592	21142	7759	14652	13440	30100	13164	17736	13081	13618	17212	24912	56453	54847	21751	21754	35349	0	16573	19003	17773	15940	15981	13888	7165	21778	17702	13254	19527	0	14197	37808	Organosulfur	0.2631579	1.4736842	0.0
12	C15 H28 O10	369.17554	369.17603	-0.068503894	369.1755	12446	10853	12087	0	0	1091	0	4436	0	3712	0	0	0	10790	1921	0	2505	1470	2238	0	1337	0	0	0	3146	0	0	0	3098	1875	2794	2645	3098	2505	0	3031	2295	0	2454	6608	0	987	0	566	444	0	0	1138	2825	2749	13362	10247	1533	430	2677	0	0	3039	36496	0	0	18269	3050	1295	4578	8402	9463	0	0	0	0	2131	1808	1898	0	1103	382	1647	1366	0	2618	0	1837	0	0	0	2854	0	1626	0	10167	3636	4399	0	0	783	13265	0	0	0	1211	0	2631	0	721347	4202	1328	1036	1401	2251	Unclassified	0.6666667	1.8666667	0.0
8	C21 H24 O4 N2	369.18088	369.18134	-0.24483691	369.1808	5079	4992	3336	4732	2166	3081	3115	4744	1227	12989	5906	1477	1145	1060	3681	6472	4749	2434	1230	16693	13130	3743	4565	8515	4096	13066	3710	8775	6000	5204	4273	6462	5159	5758	12038	4818	7105	2120	6742	9678	6099	2911	0	0	0	7848	6827	0	4134	3568	4540	3912	1609	0	0	893	1026	6284	0	1356	5063	3093	1048	1271	0	1425	3144	7002	9711	15023	21054	5054	4221	4518	5169	4552	0	4179	3817	5577	3703	507	751	7958	0	0	2437	2053	3621	17072	11682	0	16850	6569	15636	0	4269	6942	923	0	0	5275	2774	4165	0	9847	0	0	3075	1245	Phytochemical	0.1904762	1.1428572	0.0952381
26	C24 H25 O2 Na1	369.1825	369.183	0.2982313	369.18262	0	0	0	0	1862	0	0	0	0	0	0	0	0	0	0	5619	0	0	0	0	0	0	0	6168	0	0	0	0	0	0	0	4562	2673	20226	0	0	3627	0	0	0	0	0	0	0	0	0	0	0	5780	0	0	0	0	0	0	0	0	2908	3575	0	6867	0	1818	0	0	5606	0	3198	0	0	0	16985	10524	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6435	3076	3129	0	0	0	0	0	0	2341	0	0	0	0	0	0	0	0	3216	0	0	0	0	Phytochemical	0.083333336	1.0416666	0.0
26	C19 H28 O7	369.19077	369.19116	-0.16256973	369.19073	14844	19382	15535	15549	12788	11397	15646	18707	17364	17081	6091	11884	27832	10353	13992	17891	13257	22213	23288	23126	17461	13796	13274	22551	11731	6179	15241	9698	24214	22363	19780	22662	24303	19376	14185	23981	34177	11928	13459	11088	10180	13764	0	0	0	8940	7831	0	26789	17027	18746	12588	9008	0	18992	13654	8439	21605	10208	6192	23837	8773	25371	15470	8436	19660	12074	11457	6297	17043	12568	17447	22306	23965	8292	21890	0	13479	13036	8320	11661	4901	24118	16348	16940	11593	15760	11565	16837	11249	22142	18343	20754	4651	8195	0	18390	16273	9029	17271	18457	19872	12864	14687	6092	12840	11184	0	10963	19271	Lipid	0.36842105	1.4736842	0.0
24	C19 H28 O7	369.19077	369.19113	-0.1420581	369.19073	60957	69663	58255	60070	55664	55370	40638	66359	72191	84343	31540	31712	118905	42049	57387	60857	27062	110051	116207	90478	60670	60354	55838	61970	47566	28387	39285	35569	73820	53207	60056	71947	84270	62688	95490	70419	104607	42571	33959	52354	24067	34403	3913	2202	0	47594	22452	0	79009	47147	64490	58727	49259	0	122527	58390	31556	71766	57771	20373	63234	35474	92754	83490	30881	82169	56918	34478	27313	82349	40629	67148	57460	60836	34588	53160	0	46176	49164	25030	42551	24378	64196	47258	58597	37550	54040	34937	57447	36297	93707	88458	80823	25106	48345	0	55510	63290	31141	56378	55240	76015	36242	66703	32950	61620	38725	0	37787	102507	Lipid	0.36842105	1.4736842	0.0
16	C18 H28 O6 N2	369.20203	369.20242	-0.22595179	369.20193	17159	8819	18100	15270	2945	5319	12754	20831	7202	5262	4001	8018	7175	5604	15124	23432	13103	12087	12458	6974	7594	27573	13235	22236	16568	2888	9783	4774	16618	16110	20250	15941	24491	14805	12484	19556	22525	12497	14740	9192	5765	10300	0	0	0	10503	6891	0	21329	14929	14887	13121	7658	431	7608	5141	11255	23664	11184	12662	19440	5019	4725	7737	5869	9862	10192	9777	0	6127	1967	21891	12754	18305	15084	18591	0	9231	10002	7417	9551	7198	13185	6773	5866	5348	13786	11570	9246	30849	26005	35265	0	6847	10845	0	12638	8778	5055	3768	4134	22206	8964	14803	5208	20748	2814	0	14326	5666	Lipid	0.33333334	1.5555556	0.11111111
14	C23 H28 O4	369.20602	369.20645	-0.20818321	369.20596	15602	13154	15555	14439	7058	4107	19433	13865	6692	8452	7257	12858	3657	2992	11891	13632	26829	3749	5888	11157	9898	9563	12938	11396	10857	12290	15605	0	7977	8882	14089	8405	15005	8173	7877	12646	8790	10275	23944	8670	14653	6139	0	0	290	8403	10041	387	15592	11884	14844	12225	6545	448	8948	7737	9431	9964	9216	14040	0	6415	6005	6799	7037	4842	5159	23188	0	12394	13090	5104	8522	13087	18233	12581	0	7938	21478	0	17863	9010	15243	6446	12188	6783	18279	5383	8297	24911	9894	8001	16400	9490	5481	0	15690	10794	7585	10799	12945	14126	13483	12829	0	9198	9672	0	17538	3196	Phytochemical	0.17391305	1.2173913	0.0
12	C16 H32 O9	369.2119	369.21234	-0.23238283	369.21182	29940	30049	36514	30204	19782	24919	41891	16606	23425	19212	71024	25791	14389	20952	18919	12588	22066	15665	13672	24026	16892	20298	17838	12157	19824	22361	141175	112259	14597	15127	19732	14471	16971	17479	15954	12475	11484	29520	25126	26722	70898	22050	55998	65840	44722	35220	94782	60017	13670	16457	24682	27081	23949	51698	16248	20445	28508	22312	48503	58279	64515	66766	39576	23654	27756	23221	21906	30128	40014	26648	153313	21488	17292	14142	11232	20576	41719	24665	16366	117465	22881	33482	20525	24002	21290	24261	19262	23628	21273	20157	17287	23319	12150	36746	28909	54240	26092	23353	37865	24744	13841	9165	23427	18639	404482	18464	21197	62354	20707	22599	Lipid	0.5625	2.0	0.0
10	C16 H32 O9	369.2119	369.21262	-0.10508595	369.21188	0	1957	2768	2406	1867	0	0	0	0	5108	9995	965	0	0	1229	0	1322	1449	1592	0	0	0	1524	1646	4678	0	2711	0	1893	0	0	0	0	1175	0	1508	1746	1597	1633	0	0	0	0	0	0	0	0	687	1453	972	0	0	0	0	0	654	726	3043	22900	0	0	14329	0	828	0	0	0	1790	0	0	0	1999	2013	1723	2168	1443	0	0	23806	6281	1027	0	0	0	1149	559	20019	0	1063	23471	15776	2668	4569	3924	0	939	1685	0	0	0	0	1187	888	0	249765	1552	0	542	6053	0	Lipid	0.5625	2.0	0.0
6	C17 H28 O5 N4	369.21326	369.21365	-0.251304	369.21317	3125	2580	2261	1907	823	1310	1280	2979	834	0	0	1208	1054	494	3331	3998	1653	0	2218	0	864	3080	1901	4690	3777	0	1936	6282	2162	2368	2462	3063	4172	2780	1544	3449	3447	2627	2396	0	0	1207	0	0	0	0	0	0	3621	2008	2176	3374	896	0	877	0	445	3432	0	0	3447	0	840	0	737	0	1369	2252	0	0	0	2737	1501	2483	807	2123	0	1839	1173	12104	1250	312	906	0	0	0	3232	1155	712	5831	39136	10802	9165	2851	0	0	1572	2101	0	0	0	2645	1460	2029	0	2355	0	0	2004	0	Peptide	0.29411766	1.6470588	0.23529412
4	C17 H28 O5 N4	369.21326	369.2138	-0.23687927	369.21317	1724	2715	2174	3243	593	1383	1451	2627	685	0	0	792	629	0	1876	2078	2141	896	713	0	734	3031	1379	2320	2384	0	1314	7260	1586	1497	1787	1863	3089	1808	1495	1163	1540	1345	2370	0	0	729	0	0	0	0	0	0	2439	1470	1725	1843	733	0	985	416	522	3481	0	0	2745	0	609	593	0	1112	881	2095	0	0	0	1714	1504	1298	1065	1121	0	651	2548	39867	1426	441	713	0	0	455	2024	710	1112	3814	82109	22986	5523	4214	1411	0	2476	3618	0	0	0	2286	0	0	0	2782	583	0	1783	992	Peptide	0.29411766	1.6470588	0.23529412
10	C17 H28 O5 N4	369.21326	369.21365	-0.31170654	369.21313	0	1957	2768	2406	1867	0	0	0	0	0	0	965	0	0	1229	0	1322	1449	1592	0	0	0	1524	1646	4678	0	0	0	1893	0	0	0	0	1175	0	1508	1746	1597	1633	0	0	0	0	0	0	0	0	0	1453	972	0	0	0	0	0	654	726	3043	0	0	0	0	0	828	0	0	0	1790	0	0	0	1999	2013	1723	2168	1443	0	0	23806	6281	1027	0	0	0	1149	559	20019	0	1063	23471	15776	2668	4569	0	0	0	1685	0	0	0	0	1187	888	0	0	1552	0	0	6053	0	Peptide	0.29411766	1.6470588	0.23529412
2	C17 H28 O5 N4	369.21326	369.21384	-0.26251146	369.21313	5938	5292	5607	7153	2126	0	2655	4499	1712	1382	3059	2341	2529	1388	3835	2197	3084	3048	3046	681	657	3102	2665	4018	3211	0	0	18399	5228	2057	3268	3381	5813	2872	1816	3347	4039	2796	3531	785	0	0	0	0	0	1266	380	0	4488	2691	5835	5514	1646	0	2541	465	775	3810	569	0	2321	360	1494	1308	0	3165	1668	4596	0	477	0	3029	2882	3228	961	1987	0	2214	3151	110158	2220	0	626	398	842	1664	4271	2805	1694	10102	242873	91301	10354	12087	496	0	6912	5971	1198	247	582	2889	2310	1377	0	4621	968	0	3200	2411	Peptide	0.29411766	1.6470588	0.23529412
16	C20 H32 O6	369.22717	369.22754	-0.2497402	369.22708	11249	12100	12191	14254	7839	6757	28570	11466	5395	3548	3279	8059	6666	12077	13059	23987	33479	6732	7281	5651	2567	8708	8048	12724	16349	7360	25861	4071	14447	16407	13316	14011	14664	9376	0	19279	14815	11391	33821	1813	4382	8659	427	0	0	4908	4224	0	24687	10603	13185	13455	7071	0	8121	8011	6385	26518	3540	7333	12950	0	12122	7765	9319	6356	10109	24245	0	2599	3430	8225	12306	21005	36124	15576	0	9882	15703	7249	7471	3281	36606	30714	17455	11867	25987	8098	9150	45881	10427	11344	0	5072	3480	0	12976	12812	6636	13658	26123	20138	6354	5717	0	0	11774	0	19716	5521	Lipid	0.3	1.6	0.0
22	C19 H32 O5 N2	369.2384	369.2388	0.06692369	369.23843	0	0	1374	0	0	0	0	0	0	0	0	0	0	0	0	2418	3465	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2824	0	0	2033	2354	0	1128	0	0	0	0	0	0	0	0	0	2106	0	0	0	0	0	0	0	0	0	0	0	1674	0	0	0	0	0	0	3542	0	0	0	0	0	0	2060	0	0	1573	2209	1397	1089	0	0	0	0	0	20671	0	0	7720	6714	0	4354	0	0	0	0	0	0	0	0	3757	0	0	1264	1422	0	0	1663	0	Lipid	0.2631579	1.6842105	0.10526316
10	C19 H32 O5 N2	369.2384	369.23874	-0.23012768	369.2383	3781	3855	4392	4710	1047	982	4142	7723	1008	1186	0	4878	0	1917	8067	14084	3494	0	1848	1497	1853	2241	5052	21041	7478	0	4825	0	9996	6147	7746	9677	10407	8019	1766	6996	8317	4252	4835	2565	0	1682	0	0	0	5117	0	0	11634	6322	5388	2862	2331	0	0	0	973	17249	0	0	11539	0	0	0	1205	0	1626	6393	0	0	0	9062	5925	3991	12495	5583	0	5425	3822	0	2871	0	0	0	0	2092	6199	4231	4960	11970	12656	3524	13362	0	1637	0	3850	3519	0	0	0	8152	4704	7228	0	10856	0	0	4184	1286	Lipid	0.2631579	1.6842105	0.10526316
18	C24 H32 O3	369.24243	369.2428	-0.2349642	369.24234	4834	5424	4086	4787	6513	2311	7973	2435	5217	0	2501	5159	1644	2372	4151	9016	22356	0	6696	0	0	0	4276	3006	4787	2198	14006	2221	8207	7629	3132	8577	6145	0	0	5252	8719	3102	22055	2887	3164	4595	0	0	0	1638	2312	0	5266	5458	4652	6005	4521	0	2135	5707	4510	7448	2920	6743	2101	1248	2153	2051	5334	1646	2890	30254	1801	1569	4129	1685	3282	6111	13762	10371	0	2929	8419	2153	7388	1924	5722	2043	8699	3938	10745	4693	3522	25747	3631	5010	7633	2936	3354	0	6234	2593	4425	9559	7794	9339	3633	3900	0	3221	4382	0	8241	0	Lipid	0.125	1.3333334	0.0
20	C24 H32 O3	369.24243	369.24277	-0.2148235	369.24234	23696	27762	25105	19939	21750	9593	33088	17468	17103	10016	21018	26792	10687	14516	22628	36760	82199	15467	29834	11141	13389	10234	17515	19750	21563	18131	36007	10943	18899	24379	20405	23195	25614	13996	9235	29430	22138	22446	77519	10211	18545	15017	799	0	0	6796	18522	0	22228	21063	27296	27504	17570	0	20229	22860	20649	31010	15117	31055	23276	9995	17056	13385	23897	19425	21928	84049	17311	14113	34770	9636	14788	28836	56307	25734	0	14353	38947	16528	25639	8276	22727	14090	41608	25736	50086	15463	16049	71030	13637	23105	27582	8610	9291	0	26205	26794	22491	39786	44024	30180	23990	17570	9267	18767	32210	0	31404	11572	Lipid	0.125	1.3333334	0.0
16	C17 H36 O8	369.2483	369.24847	-0.08953454	369.24826	0	0	0	0	0	0	0	0	0	2667	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2231	7127	0	1712	0	0	1800	0	0	1788	0	0	1432	1908	1052	1159	2322	1775	2586	0	1455	0	0	1663	0	0	886	0	0	0	0	0	0	1718	0	0	0	0	0	4198	0	2354	4912	0	0	1811	1297	0	0	0	0	0	0	0	0	0	0	0	0	0	3257	0	0	0	0	1698	0	0	1254	0	0	0	1270	47671	0	0	0	1619	0	0	Lipid	0.47058824	2.1176472	0.0
14	C17 H36 O8	369.2483	369.24872	-0.21188077	369.24823	30319	29113	35404	36081	23168	1356	0	36467	3991	51491	85509	0	25503	4336	0	24080	19124	15440	0	23173	26399	32263	0	10345	0	0	2108	0	10416	7311	5216	32296	33689	15178	56030	9753	29196	0	20404	75897	62277	6450	3860	0	300	46012	66277	413	50943	8083	34250	25972	24031	32736	2115	2971	13936	30551	86599	22758	25446	61800	39850	0	3225	41504	5953	24416	0	25669	37838	40737	13227	8443	15123	5576	0	0	0	22844	1393	0	0	969	0	0	0	53218	0	36206	56025	30758	28930	21674	33924	725	22541	27305	5259	0	0	34808	0	49461	1273878	38071	0	0	0	19399	Lipid	0.47058824	2.1176472	0.0
24	C21 H36 O5	369.26355	369.2639	-0.19466968	369.2635	28675	27906	29765	32041	13786	13910	458363	11137	5289	7843	20966	6785	8857	151301	11683	11941	27090	5960	11541	5076	3686	8299	3089	4868	10994	50300	421038	49443	13619	9188	6618	19107	12317	12429	5988	16018	12774	9335	28544	7696	22190	12150	9188	0	0	11517	10457	0	15393	9182	28719	27196	13166	0	6517	16715	30948	16683	10301	24916	31583	8093	54465	3659	135375	32517	45810	24142	8207	11416	19318	8527	11638	16956	11517	11421	0	6894	5585	56680	5410	22894	126522	141145	29161	27345	12665	12634	12483	20526	53056	45197	20767	10636	7207	1997	31384	27822	23609	13896	50235	13326	4640	27267	22811	12129	41858	0	9814	18130	Lipid	0.23809524	1.7142857	0.0
28	C21 H36 O5	369.26355	369.26392	-0.23616678	369.26346	3865	4611	3360	4514	2407	2199	27306	4369	1936	2642	9311	1781	2975	5540	3849	3335	6146	3207	3125	3609	2726	3114	4243	3354	5656	4054	25261	24295	5276	3657	1792	2606	6897	3562	4798	5057	4645	4304	6697	1926	3008	3084	2479	2050	3383	3856	4694	1287	3269	3217	3566	3513	2434	3955	3998	5001	3323	5115	13735	4302	5399	11640	3845	2352	4962	5187	6238	6544	2797	0	1163	2206	2749	5043	3249	2340	3527	3116	2855	17442	1588	7756	6833	4434	4244	4228	6730	3735	3828	2245	18571	17420	2567	7608	3293	1764	4041	5082	2893	2928	7383	7192	1985	6343	35718	3399	3038	1332	3670	2109	Lipid	0.23809524	1.7142857	0.0
20	C21 H36 O5	369.26355	369.2636	-0.29716474	369.26343	0	0	0	0	0	0	23179	0	0	0	0	0	0	3865	0	0	1658	0	0	0	0	0	0	0	1567	2985	21721	0	0	0	0	0	0	0	0	1895	0	0	1364	0	0	0	0	0	0	0	0	0	0	0	1990	0	0	0	0	0	3143	0	0	1083	0	0	0	0	11769	0	0	0	0	0	0	0	0	0	1771	0	0	0	0	0	0	0	17566	20312	4440	5950	2794	0	0	3307	3045	0	2238	0	0	0	0	0	2149	3741	28854	0	0	0	0	0	8610	0	0	0	Lipid	0.23809524	1.7142857	0.0
22	C21 H36 O5	369.26355	369.26385	-0.22879021	369.26346	21999	34587	27382	24661	2516	8184	177995	6347	0	2280	1564	1933	0	30953	3894	5841	11102	0	0	2180	0	3509	1860	2838	6969	30413	169061	9362	4499	4227	3006	5147	2109	3368	2023	3911	4616	2875	11765	1902	2854	4118	0	0	350	0	2796	0	6945	3891	35683	21581	2566	313	0	54597	331563	7569	0	6654	13228	0	13288	0	1142242	5786	10996	15677	1483	4193	4504	2627	4420	6186	8098	6616	0	1914	4658	18770	2358	4369	99360	103365	346842	606457	7896	5492	2860	13828	19061	18995	8365	0	2225	0	27548	39487	92223	411152	1944385	19177	2299	4051	3216	4505	805058	0	8207	2105	Lipid	0.23809524	1.7142857	0.0
26	C21 H36 O5	369.26355	369.26392	-0.19264978	369.2635	25259	22727	22386	21327	15697	12720	271611	14808	9884	9678	33911	5988	12418	76970	16720	13595	11007	7602	14858	10579	8742	13367	5093	8285	15645	25307	250126	83155	17946	15264	12302	13586	13906	15224	11409	19008	18667	17106	18001	12160	17064	9552	5880	0	0	13276	11005	0	14418	11895	22365	22312	12343	0	14102	16496	38621	22208	29204	18453	26720	16569	30748	9299	104488	37119	47352	18986	7512	7683	7087	10383	12141	17000	11178	16853	0	6882	7965	67900	4333	38005	61652	52682	22193	42052	21348	11121	13365	10603	87514	81856	16876	22484	12894	0	26526	28704	13896	16393	48297	22453	4611	30099	76444	14301	42385	0	13268	9515	Lipid	0.23809524	1.7142857	0.0
20	C20 H36 O4 N2	369.27478	369.2752	-0.44883358	369.27463	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7912	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1198	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49046	0	0	0	0	0	0	1689	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25690	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	1.8	0.1
22	C20 H36 O4 N2	369.27478	369.27515	-0.24099085	369.2747	2789	2910	2457	2293	0	0	0	0	0	3009	0	0	0	0	0	0	71331	0	0	0	0	0	0	0	0	0	0	0	0	3744	0	0	0	0	0	5169	0	0	3827	0	1521	0	7386	0	0	0	0	0	1534	3502	2477	2175	0	246	0	0	0	0	0	1161	0	0	0	0	0	0	0	334690	0	0	0	4728	2782	0	17272	1166	0	0	0	0	0	0	0	0	0	0	0	0	0	309987	4146	0	11330	0	0	0	2674	3302	0	0	0	1634	0	0	0	0	0	0	0	0	Lipid	0.2	1.8	0.1
22	C25 H36 O2	369.2788	369.2791	-0.16505072	369.27875	1519	2168	0	2284	0	1142	3948	1225	0	0	0	3660	0	0	1210	1873	20318	0	0	0	0	0	0	0	3299	0	4320	0	4323	2670	2127	0	1629	1956	0	2824	0	1599	21097	0	0	1091	0	0	0	0	0	0	1220	3768	2054	2503	2332	0	0	0	1358	3332	0	2379	1579	0	0	0	1758	0	3128	18342	0	0	0	0	0	2652	9589	2888	0	0	3721	0	2114	0	0	0	0	2561	7156	0	2308	29531	0	0	0	0	0	0	2119	1452	1442	2662	1867	2115	0	1255	0	2508	2151	0	5439	0	Lipid	0.08	1.44	0.0
24	C25 H36 O2	369.2788	369.27917	-0.13784446	369.27875	10532	11133	7924	11162	6623	3473	20070	8850	6301	1794	5022	9138	2327	8020	9696	18793	46405	2913	7135	4146	2457	4821	8068	6680	18376	7452	21918	7647	10302	15879	6897	18420	10864	4080	3220	22798	7348	12410	45599	2117	5300	6310	0	0	0	1614	9843	0	12457	14308	10527	11132	11165	0	9249	8649	7683	16318	3910	8206	10877	3581	2154	3425	7752	3642	14682	38467	3490	3644	3451	4113	5353	19052	28774	15854	0	6218	17322	5651	13630	5827	9146	5674	12792	13879	41759	7121	9449	105677	7331	9209	16087	4772	1917	0	12267	10287	9771	14636	15847	17280	6755	6955	5196	8480	11829	0	24966	1433	Lipid	0.08	1.44	0.0
28	C25 H36 O2	369.2788	369.27917	-0.1783106	369.27875	10653	11384	9018	8297	9202	7413	20918	24753	5885	2880	10370	8254	4648	42476	13717	10152	14377	1886	11152	3378	1937	4604	13100	7997	17954	12144	16969	23377	20027	16320	8336	15929	12320	12404	4229	22643	8738	22906	13718	2879	3989	6858	0	0	0	4550	0	1342	14006	16078	12318	11947	11224	0	9762	18897	9541	19590	6989	4461	8937	4017	4173	5282	6205	9404	14149	17753	8491	3486	2825	5481	7299	15203	12263	12943	0	17560	24852	12927	15999	6154	6954	5865	29461	12045	50780	24790	17740	32401	8748	10240	12929	8256	3763	0	9816	13125	21485	35541	71970	18542	11788	7827	5639	9743	25586	0	17150	2217	Lipid	0.08	1.44	0.0
26	C22 H40 O4	369.29993	369.30014	-0.25457805	369.29984	5199	5314	6434	5208	0	2692	190747	0	0	0	22615	3275	0	57027	0	0	0	0	0	0	0	0	0	0	0	20821	170975	27878	0	0	0	0	0	2369	1937	0	0	5080	4681	2922	5106	0	0	0	0	5168	0	0	0	0	3198	6859	0	0	0	8220	6186	0	0	7463	11013	0	9898	0	64357	2762	9541	4272	14679	2240	2582	0	0	6592	0	4181	0	0	2219	22970	0	12723	18464	19751	0	0	3414	0	3233	5626	13380	10237	0	6264	0	0	5727	7756	8484	0	0	0	0	7823	9304	0	0	0	2758	1895	Lipid	0.18181819	1.8181819	0.0
24	C22 H40 O4	369.29993	369.30002	-0.28173277	369.29984	0	0	1353	1055	0	1252	48440	0	0	0	2368	0	0	25473	0	0	0	0	0	0	0	0	0	0	0	3956	45889	5277	0	0	0	0	0	0	0	0	0	879	1784	0	2335	0	0	0	0	1466	0	0	0	0	1512	0	0	0	0	1595	1728	0	0	2342	1342	0	3644	0	25812	0	2235	0	0	0	0	0	1285	0	0	906	0	0	0	8906	0	1393	6684	10377	0	0	1164	0	0	0	2829	0	0	0	0	0	0	0	2585	0	0	0	0	1941	0	0	0	0	0	0	Lipid	0.18181819	1.8181819	0.0
14	C15 H15 O8 N1 S1	370.0591	370.0596	-0.045655925	370.05908	5179	4833	3737	5901	4766	2590	0	1952	3880	12324	6871	0	11648	1609	1725	0	2848	9941	5364	4241	7759	23287	3216	2914	0	1978	0	0	0	1355	1627	0	1596	2225	16140	0	1699	1905	1602	17717	13409	2440	0	0	0	3669	4533	0	2069	2008	1989	4030	2500	0	10485	4381	1731	0	0	0	0	8601	6578	5448	0	8166	1753	2346	0	2047	4448	1004	0	0	0	0	0	0	3042	0	1838	3584	2657	3915	3090	0	1407	4185	2557	7388	4286	12322	5740	20687	20470	0	4564	4223	2677	5335	2639	0	0	4847	0	3727	3439	0	2173	8663	Organosulfur	0.53333336	1.0	0.06666667
12	C15 H15 O8 N1 S1	370.0591	370.05966	-0.09038694	370.05908	5321	0	4249	3951	5332	2823	0	1711	4694	9587	6164	0	6125	0	0	0	0	6197	6867	2965	7269	17467	2052	0	0	2634	0	0	0	0	0	0	0	0	13024	1311	1425	0	2764	12973	18268	1458	0	0	0	2172	4914	0	1165	0	3385	3334	3750	0	2995	4121	1544	1917	0	0	0	9383	8090	3567	1159	4214	1753	0	0	5572	8725	0	0	0	0	0	0	0	4078	0	1828	3900	2762	3808	2983	1606	1665	3077	2498	0	0	6228	2408	21108	13973	0	2779	2952	1824	4197	3872	0	0	0	0	0	2476	0	0	10490	Organosulfur	0.53333336	1.0	0.06666667
10	C15 H15 O10 N1	370.07687	370.07742	0.007211943	370.07687	14664	14554	9838	9917	31365	13501	3515	5434	35930	15935	20116	11945	60985	7176	5505	5539	9551	28424	30180	9362	26863	29141	15137	9410	2212	0	2167	0	3466	3682	3645	3737	10596	3561	20260	2280	9929	6942	7698	11212	25501	16873	0	0	372	5408	12572	922	3592	4215	11546	17622	19098	0	47869	38420	12511	6316	5956	9971	9659	15903	64027	51076	11614	30499	16357	10182	7611	2200	3067	3259	4117	4192	6265	1837	0	6077	7230	11824	7184	4827	1348	0	32060	9312	8097	16847	16257	12930	0	4224	11752	35667	15469	709	17283	14719	18810	30968	29836	13770	8852	3835	0	10540	24306	0	2772	68181	Phytochemical	0.6666667	1.0	0.06666667
8	C15 H15 O10 N1	370.07687	370.07742	-0.0476213	370.07684	11535	13399	9434	9553	17107	6220	1814	2807	24567	8648	12447	5956	37821	4326	3328	3377	4374	21290	27073	5587	20224	19507	7184	4221	726	609	1796	1792	1585	1389	2332	2165	4206	3914	14272	1976	4836	2989	4797	7231	17411	9670	0	0	0	3224	7059	0	1386	3104	9048	10082	11473	0	27820	22969	10185	2303	3390	6855	0	9637	52443	37741	7952	25266	9911	7425	0	0	4143	2295	2476	1329	3231	1536	0	4285	4203	4906	4730	2206	1035	1355	20704	6801	2891	12894	11478	6071	0	0	6379	17002	7090	0	9658	11340	18718	25990	22385	10111	4609	3594	0	5236	16876	0	1770	47233	Phytochemical	0.6666667	1.0	0.06666667
6	C15 H15 O10 N1	370.07687	370.07748	0.01034592	370.07687	3404	4033	2981	5424	7318	1812	0	0	9508	4406	3370	1271	16006	1948	861	2057	1685	9289	9253	1553	6024	5159	2007	1745	0	0	884	0	0	795	1320	978	3271	0	3017	0	1804	1283	1385	2428	3455	3190	0	0	0	0	2791	0	0	697	3293	3965	4193	0	10533	9532	3723	1205	872	1415	0	2486	23905	14872	3911	9389	3132	3176	0	0	0	757	0	0	1215	0	0	798	1627	0	1361	1301	0	0	9104	4088	1994	5899	2829	2287	0	1786	4384	3995	2970	0	2618	3169	4742	11770	7379	3267	1504	0	0	0	5012	0	818	20409	Phytochemical	0.6666667	1.0	0.06666667
14	C15 H15 O10 N1	370.07687	370.0774	-0.050114475	370.07684	11064	16425	10101	14990	33960	22356	4826	6263	35564	8743	14851	13380	71616	9928	9571	9491	9550	42800	37639	6642	16122	26320	17889	4294	2324	0	3610	0	4051	4166	4742	0	7672	5887	16342	3567	8921	5706	6495	7077	12387	22077	0	0	274	5637	12875	343	4177	6063	13630	15425	25836	271	45192	34072	18777	7495	7382	8723	0	10650	71592	62314	15026	47942	19817	9449	0	1830	3342	3676	4326	2740	11536	4183	0	8626	12189	0	8309	3783	1049	1492	43210	14142	12374	20613	20366	14239	0	4938	16380	29885	14292	0	12905	9931	23353	31429	36352	10657	11146	6917	0	13681	26272	0	4290	73609	Phytochemical	0.6666667	1.0	0.06666667
12	C15 H15 O10 N1	370.07687	370.07736	-0.098679	370.07684	12703	17739	17385	14816	33439	18620	2321	5720	42725	6617	21391	12629	56463	8748	6488	7668	13409	49934	42925	11669	25424	31273	15178	6208	1295	0	1648	0	4886	3143	3081	3629	15367	4667	26150	4462	12089	6428	10519	6174	20362	20399	414	0	0	4499	11638	0	3880	5776	17409	10886	25033	0	55920	34625	19209	4354	5766	11620	0	12961	86748	61172	13967	46217	16025	9650	0	0	4587	4610	4077	3208	9620	5121	0	7564	12757	20540	9243	6510	1575	1577	34844	11606	7678	20724	19644	13475	3141	8511	12684	35086	15109	0	13003	20401	26297	36239	32394	12610	8415	5355	0	13736	26645	0	3033	83543	Phytochemical	0.6666667	1.0	0.06666667
8	C19 H15 O7 N1	370.09213	370.09274	0.016534157	370.09213	2351	3486	2601	3488	5034	2200	0	0	5960	10676	6468	1327	7051	1855	664	1593	1732	3757	4745	7225	12426	8790	2221	0	658	7087	658	3545	0	835	0	0	1209	1068	14915	1151	1741	1232	1368	5870	9284	1218	0	0	0	4327	6206	0	0	1047	2494	2191	2295	0	6605	5594	1434	0	0	1127	0	3907	5197	3906	0	4184	1546	1247	11441	15309	28156	1274	0	0	1099	0	0	903	2442	3628	1399	2456	881	2123	6098	0	2899	1692	1660	5492	0	0	1409	9029	5167	0	1743	2461	5477	6866	4355	1856	696	0	0	1601	3360	0	1011	6689	Phytochemical	0.36842105	0.7894737	0.05263158
18	C19 H15 O7 N1	370.09213	370.09253	-0.11893456	370.09207	23410	21675	19321	23591	17917	10195	6793	4476	23593	68799	49661	5025	22715	11897	8223	12525	10464	20943	23377	46391	48582	56638	8876	15494	8554	54034	6634	33269	6420	5852	5158	4472	9387	5717	67596	0	11820	8954	10449	48880	76399	12518	662	0	325	31186	39167	513	6982	3569	23388	23127	13043	381	20722	14549	8622	9594	5916	11373	10147	33700	30609	18694	7815	24995	13714	12244	55853	70054	111921	2934	3887	2463	5510	7426	310	4797	24662	58188	13915	26619	9105	32522	20921	12008	19160	13247	13072	24721	17286	21120	26091	74431	82060	0	20058	19731	17946	18087	19154	9490	4602	13447	19067	14340	12984	0	10971	26562	Phytochemical	0.36842105	0.7894737	0.05263158
24	C19 H15 O7 N1	370.09213	370.0925	-0.12716496	370.09207	4223	6100	3544	4007	4384	3190	0	2141	2548	12390	4660	1864	4039	1519	1702	2175	3047	3222	5222	1587	6841	16066	2618	2312	1615	2762	1623	2196	0	1262	0	2087	2224	1534	11692	1956	2760	1254	2843	6331	13954	1360	0	0	0	6929	16012	0	1867	0	4166	3961	2287	0	3169	2391	1430	1950	838	1634	2554	5134	4541	3065	1451	2744	2101	1918	10053	6623	10821	0	960	0	0	0	0	0	5977	16321	4256	6784	938	6849	3645	0	3554	3694	4272	6691	2400	3038	12847	22721	19462	0	2796	3884	1922	1213	0	2670	1256	1327	5236	2909	1950	0	2257	4653	Phytochemical	0.36842105	0.7894737	0.05263158
22	C19 H15 O7 N1	370.09213	370.09253	-0.12915434	370.09207	11390	7712	10189	8350	7410	3399	1742	0	5225	19549	16505	2238	6733	0	1983	3381	3737	6400	5501	8356	21748	26249	3696	4712	3733	14340	2219	8091	3817	2582	1257	4119	4315	0	26137	0	5885	1907	4707	15696	34930	4664	0	0	359	17077	31013	0	3526	2214	8041	9187	7015	379	7185	6016	4457	7253	3153	5274	3579	16671	10292	8437	4815	6347	5515	4267	24066	18978	33634	2134	0	1031	3327	1373	415	2720	6462	24936	4864	13638	3523	11384	6985	5291	5809	4987	5343	14505	5104	8432	8415	37168	39975	0	7321	9052	5970	6679	5666	3302	2906	5812	9418	6883	3777	0	6752	6337	Phytochemical	0.36842105	0.7894737	0.05263158
12	C19 H15 O7 N1	370.09213	370.0926	-0.09048308	370.0921	8876	8620	7131	7903	11742	5514	4012	3803	14762	34634	21105	3130	13708	5646	3200	5436	4366	13361	11612	19105	35965	23795	6704	0	2395	36940	2687	12030	3322	1369	0	1650	3457	1253	42819	3151	3462	3310	8625	17979	35646	4820	0	0	0	11744	21021	0	2574	1999	6015	5843	9068	0	14584	8764	6064	3770	0	8806	0	13158	18275	10159	3352	14537	6398	0	48661	57587	88712	1796	3297	0	1717	1951	0	2280	10197	18095	6065	12552	2562	13785	10411	7200	6197	3630	3028	12355	0	12795	7470	32080	32648	0	6340	7164	13164	12947	9805	5813	1971	3718	0	4958	8494	0	4819	15580	Phytochemical	0.36842105	0.7894737	0.05263158
14	C19 H15 O7 N1	370.09213	370.09262	-0.04430791	370.0921	19080	19038	14086	16371	18845	9273	3672	4128	16075	46714	33132	1920	28258	7787	3914	9013	5340	21536	19435	38891	45805	32436	7013	5862	5748	56481	4043	29544	3568	2143	2401	0	7156	1418	77019	2571	8328	5442	6396	27340	59530	4871	0	0	0	18587	42650	0	3865	2987	13154	17795	10555	0	13788	15545	7843	7112	7145	8439	0	24194	19857	18623	6604	16865	8142	7091	57867	69441	108627	3933	0	2323	4021	3451	0	3686	11841	35290	9616	15696	3728	19769	17996	7437	18920	10938	5990	18021	16793	9944	16850	47584	53814	0	19721	13821	14984	19093	21251	8331	6685	11256	0	5851	8642	0	5123	17866	Phytochemical	0.36842105	0.7894737	0.05263158
20	C19 H15 O7 N1	370.09213	370.0925	-0.13620669	370.09207	11771	18257	16865	13807	16667	6931	7031	4993	15866	50913	33723	2552	14057	7312	3406	8474	8698	10754	17865	20670	40136	47595	4786	8233	1743	35866	5159	18850	4204	2194	4257	3496	9049	4464	51518	1927	10188	4238	7694	35293	53149	7890	890	0	312	24141	39791	0	6938	3323	15321	14827	12702	0	11861	10400	7763	9193	8214	11104	6894	27655	17494	14717	5709	14725	9247	7495	41343	44192	67694	2797	2643	0	4128	3722	0	4558	14486	50975	8982	18987	4945	23234	14317	6667	10760	9680	8128	20100	12979	17704	14086	61111	55386	0	20789	10352	7262	15624	13600	6802	2265	6421	14694	7978	8942	0	8415	19861	Phytochemical	0.36842105	0.7894737	0.05263158
10	C19 H15 O7 N1	370.09213	370.09262	-0.01870196	370.09213	7471	7478	5758	6610	8659	3905	1306	0	10598	21594	14199	1620	10808	1685	1449	2476	2113	6013	7968	10814	22354	12976	3054	3176	1638	20536	2403	7568	1114	0	1502	2651	2233	1077	24203	0	2040	2005	1866	13367	23957	2932	0	0	0	7051	14998	0	1812	1616	5727	5229	4389	0	8620	7003	2955	2177	0	3788	0	8629	14398	7036	1528	7628	4153	2353	30074	33230	48311	1379	0	0	1341	1531	0	1807	4799	9511	5066	6178	1800	4790	9365	2643	5823	3398	3734	6651	3948	4849	6041	17767	19986	0	4329	5951	8099	10644	8482	3015	2382	0	0	2959	6141	0	2583	10877	Phytochemical	0.36842105	0.7894737	0.05263158
16	C19 H15 O7 N1	370.09213	370.09256	-0.07525481	370.0921	25212	22665	23956	16659	21612	11904	5894	6991	18533	74938	48743	6314	30852	11288	5325	10241	5478	22067	33422	41606	59486	54607	9184	10791	4986	68827	5674	29371	4858	4493	4003	0	10711	4202	74905	3975	7483	4502	9389	49326	68116	10394	549	0	0	23516	42246	0	6890	4838	21473	22750	16964	0	16225	16876	10359	10075	5648	15286	9288	27077	33140	15790	9250	26753	11869	7977	62718	75708	119055	7044	2420	0	5385	4402	0	3616	16575	62038	12894	25495	6386	30628	19517	13402	14008	11025	9757	24826	17645	17796	0	80379	79603	0	22358	19545	16419	18740	22121	10744	2606	12518	17656	0	14875	0	9710	29399	Phytochemical	0.36842105	0.7894737	0.05263158
6	C16 H19 O9 N1	370.11325	370.11386	-0.10485717	370.11322	59863	63431	52686	57330	47030	28834	21622	48607	70234	89283	76801	40954	91639	20147	31805	55539	58469	88335	86735	75271	127081	86410	47068	57618	13667	15839	22672	29601	41491	39858	40068	44333	57555	38307	112465	43852	54378	33382	71548	53737	110086	46265	940	0	268	48590	88506	0	51368	40998	59530	59409	45423	516	93918	66922	36143	50157	33743	61233	58273	55311	226018	86768	30046	68115	49976	74209	48117	31242	55468	39300	42675	40533	30694	38803	269	32558	33923	27935	30097	27743	22579	19459	63599	37987	32471	55230	54243	67112	23047	36842	71808	60836	68899	0	53730	56750	41319	58203	74853	66882	37871	62880	41404	54028	56043	0	19561	129866	Phytochemical	0.5625	1.1875	0.0625
10	C16 H19 O9 N1	370.11325	370.11377	-0.048591685	370.11325	291152	262836	243302	244477	203547	152427	116658	248003	285986	542634	328923	193089	417850	89096	171516	236201	220270	390013	356703	480788	596975	454387	210683	234174	77193	97626	131412	154904	187432	192046	180256	202022	291423	198028	662315	191195	288098	155168	245610	472352	564444	200540	7176	1051	685	252173	355295	604	210586	212378	273402	277191	195705	714	453809	241148	128364	225538	224957	259982	261674	355324	413180	390162	125439	283848	191578	250035	299999	177312	264318	197160	194879	190144	187860	190281	725	155221	169180	190231	151786	165870	121076	134149	227916	135153	150532	192606	215014	220007	135227	207367	273060	362283	384112	1649	271187	290747	191338	187140	203171	286992	171197	283839	304205	208843	201736	555	96340	468980	Phytochemical	0.5625	1.1875	0.0625
4	C16 H19 O9 N1	370.11325	370.1139	-0.19297925	370.1132	11138	14085	9251	12099	11642	7470	3784	9568	16188	12666	13342	8569	24242	6652	5973	10427	11339	16468	17012	12468	17119	15998	8962	10052	2530	3747	4346	3227	4297	6412	8214	7176	10493	5142	16920	7914	9773	6505	12715	11908	16913	10393	0	0	471	9981	12539	0	7130	7273	9956	9457	11039	479	19220	18003	8883	9526	7139	10868	10116	7639	32042	18330	10554	16314	9555	13372	8755	5611	7193	7423	5234	6781	2649	5769	219	6668	6616	3716	6630	4383	3957	4146	18690	9245	7013	10649	11031	10078	3622	6193	15251	9750	9670	492	9506	13906	12768	20746	16291	12393	5933	12088	7972	8709	11918	0	3325	29998	Phytochemical	0.5625	1.1875	0.0625
8	C16 H19 O9 N1	370.11325	370.11383	-0.06932094	370.11322	153458	169462	113510	163517	110113	76588	67701	128513	170044	264651	202639	110594	231490	47622	89634	136746	152469	188554	221560	248209	347008	255233	120314	138055	36685	45573	70850	85328	97480	104957	98166	117088	147055	105239	351280	103661	138759	85728	166838	234286	361891	119596	3079	432	370	153988	240927	314	124294	120319	161262	156799	109758	569	247446	143187	84462	114047	114380	169494	153618	191950	251283	229214	79197	160058	102332	168957	154940	98762	176240	112328	120546	96440	109263	109089	296	87202	105383	105870	81501	88861	63483	82220	144225	82286	85028	115831	134439	158888	61310	113515	162260	204057	211923	806	166706	171086	129928	138035	147898	153825	94371	176746	117198	122685	129918	0	52668	254772	Phytochemical	0.5625	1.1875	0.0625
18	C14 H19 O5 N5 S1	370.11798	370.1181	-0.9463871	370.1176	0	1701	0	2398	0	0	1953	0	16515	0	0	0	0	0	0	0	1990	0	13827	0	0	0	0	0	0	0	2352	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1507	0	0	0	1208	0	0	0	0	1895	0	0	0	0	0	1389	0	0	0	0	0	30867	2533	0	0	1626	0	0	0	0	0	1442	0	0	0	0	0	0	0	0	0	0	0	11979	3992	0	0	3004	0	0	0	0	0	0	0	0	2031	2405	0	0	6113	0	0	0	0	0	0	0	0	Peptide	0.35714287	1.3571428	0.35714287
2	C15 H19 O8 N3	370.12448	370.12512	-0.1487114	370.12445	7948	10364	8311	7791	9083	0	2555	9089	12709	2987	4270	8016	16618	3591	4615	942	11143	14032	14370	3182	10393	12324	8159	7095	1578	0	0	0	6947	3405	6755	6479	13094	5395	7434	5628	9147	5393	9039	5601	9231	8108	0	0	0	4074	6094	0	7434	3864	9995	9807	10512	0	12560	7363	6004	8463	2589	5591	1556	3408	28238	15467	5681	17551	9818	11402	1717	1538	2148	7064	6543	3903	771	4563	0	4242	6311	0	4803	3313	2558	1318	10444	5536	6514	13589	11649	21642	2250	8962	18183	6107	623	0	7661	8962	6408	11922	9354	8360	6541	4798	3472	12206	6519	0	4301	28096	Peptide	0.53333336	1.2666667	0.2
6	C15 H19 O8 N3	370.12448	370.12506	-0.14847985	370.12445	21642	21607	21834	24544	14455	11251	10130	26922	21929	12994	15928	18169	24754	5239	19959	25542	27618	26966	33355	14611	22709	30773	23446	24890	7557	805	11630	6379	13759	15825	18916	19206	28174	17861	19039	16601	31172	17514	31929	12485	23268	19192	0	0	0	15312	26728	0	18113	20156	23446	19206	17292	0	31366	14390	12561	20955	16537	19884	23181	14591	33065	26392	14072	26793	19965	37325	2438	3037	4968	16623	15694	15520	13684	14025	0	15387	14162	5393	10896	10585	7527	4706	19235	14242	17668	26284	22580	46615	9614	17134	50072	16719	10423	0	20343	21170	11057	14514	15617	26688	17962	19235	15618	25627	12417	0	12043	37876	Peptide	0.53333336	1.2666667	0.2
10	C15 H19 O8 N3	370.12448	370.12497	-0.18248624	370.12442	15661	15140	18989	13319	8901	6763	10399	14222	11877	9526	9397	15181	12790	4624	15914	19090	17528	18193	23198	10471	14497	23533	18804	17312	7127	0	9068	4664	16526	11876	11694	14657	20227	14047	11714	16048	19436	12713	18372	6767	11865	11988	0	0	0	10712	11524	0	14373	17223	14200	16433	10858	0	17107	6584	9092	13692	18372	15199	16910	8584	18455	16248	9434	16937	11663	18563	0	0	4549	15758	13358	13030	12354	12387	0	10242	14876	6689	12387	5998	8025	3675	9766	8279	14174	12338	11945	23837	12978	14992	34076	8159	8224	0	15488	15238	6577	9168	6440	18837	14168	15076	0	21106	8932	0	11386	18844	Peptide	0.53333336	1.2666667	0.2
4	C15 H19 O8 N3	370.12448	370.12512	-0.16499002	370.12442	9242	9052	8087	8738	8513	4603	2936	8136	9971	5896	5714	7483	12559	2019	6428	8448	13684	11723	11563	5014	7829	13801	8769	9950	2583	0	3344	0	5062	4889	6302	7095	9929	4529	8354	7530	8857	7821	17921	6861	11067	6705	0	0	0	4681	11151	0	6643	6445	7827	7495	8170	0	9393	9667	7427	8908	6119	9145	9486	5107	17719	12096	9478	11403	6319	14518	1240	0	1923	5918	5956	5613	3667	3953	0	4497	5792	0	6448	4002	2850	1164	11555	5637	7350	10421	10383	18599	4416	5060	17202	6344	4633	0	8491	12345	7432	13098	8927	8462	6941	9993	5541	9779	6917	0	4669	21351	Peptide	0.53333336	1.2666667	0.2
8	C15 H19 O8 N3	370.12448	370.125	-0.17991884	370.12442	21543	27778	19133	22022	14555	10823	10879	19829	23036	13492	12484	21313	22668	5768	20295	23787	23066	23955	26444	14102	20398	27447	23313	28829	8592	1052	13290	5814	15781	13979	15109	16383	28441	15284	22262	15893	24602	18557	26296	18442	23578	17792	0	0	0	13598	23157	0	16664	17847	18526	21715	15666	0	29539	12751	12979	21268	24842	20948	22763	15183	34627	24485	15027	24100	16535	34508	3735	5689	6700	18838	17076	16580	16495	13124	0	12614	18142	5869	14531	9662	9368	3011	13815	10955	15000	22741	17946	38859	10451	23733	48207	13738	11973	0	23372	16835	11558	11519	9914	25429	16402	25717	10906	30809	13957	0	12815	31440	Peptide	0.53333336	1.2666667	0.2
10	C20 H19 O6 N1	370.1285	370.129	-0.11901095	370.12848	19616	19854	15296	23552	14403	8610	6193	9055	13724	76786	50194	6529	15459	9233	6264	6585	7193	14375	17803	73537	84505	32113	9074	11288	6126	99845	4862	50186	7294	8100	7022	9835	10640	7491	82202	5527	12999	4990	9202	48705	61037	7795	0	0	0	30336	43657	0	4984	6934	22076	23516	10562	0	14267	11488	6118	11865	2873	8363	10937	27887	15744	11532	3966	11003	9399	10444	108475	124297	161095	6401	5220	4165	5846	7576	0	6341	14293	24818	10752	15694	7327	24498	13437	6594	12150	8991	8176	16071	12354	14486	15391	37424	50477	0	20482	21315	12845	11883	9056	9855	4461	9876	0	7261	11179	0	10235	16788	Phytochemical	0.3	0.95	0.05
22	C20 H19 O6 N1	370.1285	370.1289	-0.10191434	370.12848	13948	17293	11236	14044	9698	9192	3597	3013	8295	44296	48569	2873	11905	9240	5684	10877	5007	9263	13578	35580	36547	29692	7309	10219	5074	54243	4167	37847	6787	3848	6486	4600	11021	6359	46195	6214	9309	5045	8183	37862	52277	7338	0	0	0	29978	42860	0	7123	6090	17810	14089	9231	264	9274	5614	4543	7956	5571	8801	8532	30218	14070	9168	4075	14867	9866	7265	62266	60085	87116	5709	4324	1934	4199	4184	264	3718	6905	38436	5911	24814	5877	28824	11089	5890	7994	10142	8932	10831	13481	14073	16877	44044	40041	0	12340	11375	6325	9048	7082	8655	4434	9371	21506	8986	7722	0	7110	12163	Phytochemical	0.3	0.95	0.05
14	C20 H19 O6 N1	370.1285	370.129	-0.06718926	370.12848	28535	29223	29933	30685	20351	13022	10882	11820	20481	94177	70715	10041	20536	14691	7120	14787	13327	25806	24074	84589	114318	60070	11167	16753	12901	143705	8293	71599	9368	10616	10239	16079	18661	9565	105048	8398	16179	9955	14224	69151	93147	14933	0	0	0	41539	62095	0	10612	8217	32127	34024	15381	0	22393	15329	10189	16407	7128	20040	0	43820	25209	17170	11118	22558	18792	17636	146413	186670	227581	12437	6740	7812	9126	7870	0	9592	21506	55811	17870	29176	11037	47474	21650	11200	21426	15232	14665	41483	33230	24386	31602	54614	64018	0	26657	23162	14611	15035	18853	17426	7933	18051	0	14779	13311	0	14019	25493	Phytochemical	0.3	0.95	0.05
16	C20 H19 O6 N1	370.1285	370.12894	-0.10023101	370.12848	36992	45418	37062	41190	30813	19193	9273	20059	27990	126475	102579	11316	26006	19113	11116	23132	19480	23621	33694	111869	137720	62854	14516	20522	14289	174444	9541	92529	10622	10691	12307	16473	23830	9737	138598	8127	21696	11374	23489	93227	121279	16862	947	0	0	44555	68179	0	21409	11513	44989	41325	21798	0	21281	23458	13845	17072	10830	21070	23064	55962	37209	24842	14331	32510	26168	21183	170367	225375	270240	13715	9203	8439	14130	13455	0	9998	24539	77645	17426	43448	17550	70825	28334	13601	28750	20084	18029	40300	36551	41958	51188	67689	105989	540	41975	36545	20043	19106	20029	19272	8709	20792	30022	20101	20555	0	18376	33656	Phytochemical	0.3	0.95	0.05
24	C20 H19 O6 N1	370.1285	370.12885	-0.14965753	370.12845	5406	5452	4303	3614	6566	1660	1719	1370	3539	22185	18487	1141	2439	2747	1425	2810	0	3183	3769	9498	14005	9683	1998	2262	1560	15159	0	13947	0	0	0	1786	1986	967	19695	0	3266	1369	3407	17607	28183	2902	0	0	0	10225	19932	0	1452	1171	6803	7091	4572	0	3854	2731	2019	1030	1511	4185	2236	7648	3701	4142	2525	5746	2005	2749	24365	16354	31927	1818	0	0	0	0	0	0	3163	13727	2025	11288	2123	10459	5898	0	1618	2486	4246	3256	4490	3485	3963	17229	17040	0	4728	5595	2767	2384	2752	3887	1504	2468	9793	3262	0	0	3103	3493	Phytochemical	0.3	0.95	0.05
18	C20 H19 O6 N1	370.1285	370.1289	-0.10352127	370.12848	43990	38105	42745	40000	30405	25123	11043	12912	25702	133381	107574	11978	29157	22260	10231	24474	17358	34163	44040	115104	118853	72222	14757	22635	13208	181003	12875	99814	12018	12120	10603	17564	26611	18799	137903	11477	26241	12222	21013	110488	124567	17573	2020	0	0	56709	69112	0	20158	11795	48019	39690	23845	382	22902	16543	18230	20241	17584	30237	25872	76452	43531	20934	12169	28346	26731	23873	173664	207712	288087	10220	9681	9116	13770	10438	0	10523	24496	71446	14614	47072	21634	66487	23871	18236	27249	21512	18316	36794	43434	41898	40521	77844	100972	470	41770	36267	19633	21636	19210	22840	10133	30309	36676	19041	20169	381	14236	29263	Phytochemical	0.3	0.95	0.05
8	C20 H19 O6 N1	370.1285	370.12906	-0.13078801	370.12848	13449	17700	14436	15188	9499	5958	3016	6093	10382	53951	31857	3987	10710	6701	3905	6479	5031	8649	12470	40244	56420	24557	4650	7282	3503	59843	3611	27489	5015	4194	3410	4586	7014	4182	58459	3460	6395	2820	6960	30811	36860	4615	0	0	0	23539	38891	0	6251	4444	14281	12915	7179	0	12452	7522	4153	5413	1919	6804	8462	15811	13598	10248	2987	10455	6534	6801	63881	84033	114774	4329	2784	1946	3698	5036	0	3128	7895	21143	5636	12841	2812	21738	9456	3994	9524	5636	5720	11227	9965	7663	9490	28931	42884	0	13477	12036	10020	11718	8765	6710	3039	10421	9142	6479	6768	0	6278	8165	Phytochemical	0.3	0.95	0.05
20	C17 H23 O6 N1 S1	370.1319	370.13232	-0.04127969	370.13187	9989	13933	7481	10876	9640	5462	2805	5691	4204	17670	8196	3896	8175	4978	6136	5329	6779	10624	11163	18032	16670	12564	3094	9503	4697	21113	2260	12412	3438	3483	6733	5751	6027	2798	21725	3798	7212	1953	6115	21125	14385	6208	0	0	0	8887	12510	0	8901	4600	12514	9843	7339	0	6298	9485	3800	9724	7886	7906	5345	14184	4808	4776	1639	10416	6791	6501	16207	21483	18648	4702	5623	3104	5313	3162	0	3164	4082	12366	2409	7018	5669	9206	9833	5920	7335	3398	6351	6449	30904	24037	4523	14646	19264	0	9425	9540	7704	9704	8984	6352	3408	10538	10031	8914	7012	0	4079	7045	Organosulfur	0.3529412	1.3529412	0.05882353
10	C13 H23 O11 N1	370.1344	370.13458	-0.3647059	370.13425	111879	123507	97965	105399	66641	66706	50196	133511	69117	107208	108900	89156	185349	46736	88710	106161	84432	126356	132495	95599	118039	175590	95931	140183	68195	32926	63513	33780	116829	95200	118818	118851	172862	111630	122284	127050	171342	83317	118737	140421	98967	76244	0	0	0	95529	104619	0	112054	96057	111216	187488	85348	0	223266	42465	46408	129294	121182	94261	109656	80772	78576	170436	50223	102888	88614	109053	37650	104248	64641	101064	106444	182517	76901	95139	0	82062	80694	44691	73288	54345	143714	41130	93252	46890	73716	93255	86517	114326	84159	134991	177579	73542	83169	0	109362	130668	35589	84006	72422	124583	88598	133524	62364	133300	58701	0	59886	111456	A-Sugar	0.84615386	1.7692307	0.07692308
10	C17 H23 O8 N1	370.14966	370.15015	-0.12400995	370.1496	453057	418499	388222	384831	253112	210399	263643	1141442	305349	623564	329337	326978	416455	136521	753092	501167	342322	477269	487983	817220	831659	564392	409939	598206	286908	539457	246640	254311	507916	470925	418156	463397	539423	426583	765893	481203	948408	633262	352740	627670	521549	297180	11532	1566	2052	560219	490413	1430	449912	1045642	424018	434257	244132	2659	510968	272519	167936	460886	514482	392420	565266	393790	327279	365008	156606	297791	264680	357983	560104	607780	555339	450366	417441	502119	339188	405863	1025	622544	329196	249608	342971	351627	353759	269463	321243	217752	283229	244349	274845	629370	256969	397607	1128392	318936	497635	4530	404896	508879	214110	212212	256308	507534	315638	652891	351344	383523	264541	1313	258621	405899	Lipid	0.47058824	1.3529412	0.05882353
18	C21 H23 O5 N1	370.1649	370.16528	-0.16726679	370.16483	31884	37399	33275	29714	19565	15481	14052	23260	16283	74503	72402	15963	12530	12306	11175	29987	23511	18297	27648	77194	97696	53859	17599	25517	11740	156842	11618	72536	19070	17970	12562	23625	23182	18698	71009	20716	23482	14026	26701	81134	96745	16667	673	0	0	38142	45180	0	27184	21740	32976	31789	19920	0	13044	12242	13069	31392	13213	27767	22931	48581	19466	10813	8926	20948	23378	36342	136026	146006	234268	23860	16909	13954	19239	18337	0	11225	25636	43231	23566	27123	20884	65495	16046	10171	26280	22667	18735	49376	42634	45300	49580	45091	57055	0	39084	36025	15090	9434	16908	25440	14613	22015	23295	22398	11521	0	20222	17240	Phytochemical	0.23809524	1.0952381	0.04761905
24	C21 H23 O5 N1	370.1649	370.16525	-0.12825032	370.16486	9664	9141	7213	12262	6302	4394	0	5288	5052	21929	20726	3293	4282	5168	2913	6142	5112	6615	6705	18234	21523	12669	4391	7609	2774	35525	2414	28551	4410	6520	5388	5278	3604	3685	15613	4805	2445	2906	3342	25978	27284	4962	0	0	0	15184	16494	0	4736	5429	5424	8964	6459	0	2743	4982	3145	7757	3887	6561	5633	13929	4878	3990	1531	6294	7910	4019	36721	30510	51918	6309	3332	2784	2982	6231	0	4898	4255	11614	4651	9430	3253	15940	5480	3458	6749	6087	4860	8158	8496	8847	16139	17434	12925	0	8586	9692	3207	6302	2284	7142	2430	7857	10743	6234	3680	0	5711	5686	Phytochemical	0.23809524	1.0952381	0.04761905
20	C21 H23 O5 N1	370.1649	370.16528	-0.16411506	370.16483	34208	34054	37747	30212	24937	22630	13719	24139	19273	73365	75081	18510	15419	20384	12686	36068	26315	19866	31527	80510	93372	51944	17291	28929	12557	154957	12770	71935	27602	16575	13329	25265	25061	21743	69776	21404	28152	16750	27265	84394	103305	22409	1047	0	0	43332	47766	0	20826	17035	31756	31238	18202	224	17158	13002	15067	25770	17489	27283	26168	44771	19485	16708	9483	25942	28263	29035	140296	145010	205352	25614	16972	9278	18994	22175	0	12641	26769	44896	17070	26132	19446	68234	21273	15987	22870	21745	20987	51442	38033	45095	53303	45476	57986	0	38705	28963	20500	17401	17191	30188	15234	32371	30026	31323	15843	0	24623	18294	Phytochemical	0.23809524	1.0952381	0.04761905
22	C21 H23 O5 N1	370.1649	370.16528	-0.12313893	370.16486	25656	23530	24475	26000	23036	17855	11466	15058	18337	52674	60598	10968	11074	14019	11202	16036	18799	16723	16816	59771	60120	34621	13986	20829	13861	99053	8237	68463	9238	10477	13749	15163	17121	14704	45800	14940	22068	9032	14806	56115	70559	15654	0	0	0	27935	37075	0	16541	14598	30255	24623	16022	0	13667	11086	15622	22876	14328	16877	15349	43138	11394	11918	9867	15215	21194	19319	97985	102479	128485	11314	12276	6437	8252	10882	0	9332	14627	38007	13610	23537	13048	45321	16659	10150	20999	18671	15255	30564	35507	31330	29632	38927	39476	0	20559	25060	15502	15896	16992	21767	8414	20013	25158	19899	14015	0	13717	13607	Phytochemical	0.23809524	1.0952381	0.04761905
20	C18 H27 O5 N1 S1	370.16827	370.1687	-0.05519683	370.16824	8808	8956	7822	7912	8561	1862	1981	7192	4046	3276	4692	2789	4721	2124	4558	6001	3246	4467	18766	8385	10844	9586	2609	4665	3947	9679	0	4699	6340	5948	4924	5044	3223	3752	5173	5746	9070	3486	3455	6709	11030	1930	0	0	0	10256	8943	0	5786	6633	6599	4394	4198	0	6201	5626	1505	7208	3472	5435	5736	7350	3533	9207	0	4863	5008	3094	6146	7048	8333	2503	1833	7643	1912	3947	0	6979	1859	6784	2482	2966	4597	0	10066	3129	3639	4545	2995	5989	14965	21731	4845	6940	9825	0	4092	4852	2317	3890	4772	4851	5300	7954	4033	8126	4918	0	4145	10213	Organosulfur	0.2777778	1.5	0.055555556
22	C23 H24 O2 N1 Na1	370.17776	370.1784	0.29977098	370.17786	1699	2638	1662	2610	4145	3192	2471	1769	1854	2740	1907	0	2199	0	2806	0	31633	0	3041	2189	0	5745	0	2985	1709	3743	0	2851	2278	2627	0	0	2487	2667	0	1658	2016	0	32277	3304	4269	2856	0	0	0	4007	2512	0	1897	0	2069	1920	2811	0	1545	0	2114	2764	2940	2890	4865	1998	0	0	2163	5549	4392	39946	3648	0	2815	2667	2011	1199	10958	0	0	0	0	3598	1804	3040	1943	1953	0	1957	2377	4933	2864	3118	10322	6916	3552	3130	4700	0	1378	3486	1674	2431	1770	5204	0	2993	2524	3292	2148	0	2094	2058	Phytochemical	0.08695652	1.0434783	0.04347826
14	C17 H27 O6 N3	370.19727	370.19757	-0.32108328	370.19714	4373	2678	3234	4218	2327	0	4566	4781	2033	0	0	3269	4024	1545	2000	7340	7139	4385	3066	2529	2101	5618	4049	4475	6815	0	4864	0	9106	5391	7504	0	10378	6760	3901	6497	7402	3481	6805	0	0	3561	0	0	0	3631	0	0	8307	4027	3426	4089	1708	0	0	0	1788	7267	0	0	0	1820	2889	1515	1038	0	4433	6424	0	0	0	5131	5448	5377	5201	6291	0	3550	3324	0	1326	0	2911	0	1515	0	4716	0	2613	8286	24484	17215	15501	0	1556	0	3991	5374	1433	1323	1688	7466	2921	4250	0	5252	0	0	4985	2180	Peptide	0.3529412	1.5882353	0.1764706
12	C17 H27 O6 N3	370.19727	370.19766	-0.2732047	370.19717	8456	6078	6485	6358	5470	3380	3516	9828	0	3236	0	2944	6175	0	6415	7566	6797	5081	8876	3564	3324	8440	6927	10853	12291	0	2718	0	9138	4330	8619	7482	13458	9464	6093	6785	11097	6043	8855	5832	0	5582	0	0	0	4456	3541	0	10473	5481	6673	2557	5156	393	5489	1358	2107	13267	0	0	0	0	5280	2702	2599	7098	5673	8616	0	1440	0	5249	8960	6672	6342	6658	0	6484	4042	0	3826	1911	3449	1361	2997	2360	8402	4433	6159	15560	19147	17588	23923	0	2758	0	7722	8128	1406	970	2741	8631	5444	4426	0	12137	2742	0	7164	6877	Peptide	0.3529412	1.5882353	0.1764706
10	C17 H27 O6 N3	370.19727	370.1977	-0.26741403	370.19717	15523	12152	13011	11521	4429	6895	10302	14941	2951	7886	4270	8586	8158	4064	9465	18140	12746	6927	11807	8111	6317	16653	11645	19834	13449	0	11178	6950	17053	10244	12807	16999	19226	16887	12624	17185	26972	10502	15960	9367	3922	4843	0	0	0	8370	6551	0	20034	10595	14822	10601	5772	0	6453	2285	2359	22195	3744	4139	13364	3401	6516	5552	2955	7197	6333	17556	0	4234	3133	12614	13357	12985	8827	13208	0	7683	10622	10094	11768	7270	5253	3306	6278	5242	10785	6771	5577	21528	110549	59135	32489	6539	6046	0	13765	11042	3119	3465	4020	18318	9281	19161	0	18901	2949	0	13168	9185	Peptide	0.3529412	1.5882353	0.1764706
22	C22 H27 O4 N1	370.2013	370.20163	-0.16839807	370.20123	26597	25266	19348	26685	14354	12056	13629	22785	7439	32894	45883	13545	6602	10158	14592	33223	29078	11252	9125	42194	55544	32389	12516	35569	20092	94283	11635	49617	23755	22864	18700	24119	26051	26735	25468	21436	26965	14538	31591	39878	58447	19013	0	0	0	27927	37218	0	30195	20895	31634	25709	17589	0	8580	5896	11135	32688	14444	27093	29850	30832	7562	4351	9154	14678	20297	32743	82751	78590	104295	24348	24086	17337	23549	22555	0	11027	18982	30556	18512	16944	18914	35401	10063	6354	28188	17458	18367	59670	27544	29665	44625	28951	30175	0	22829	26672	6657	11108	8380	29718	14016	30192	14048	31394	8951	0	21984	8103	Phytochemical	0.18181819	1.2272727	0.045454547
18	C22 H27 O4 N1	370.2013	370.20163	-0.26360682	370.2012	10419	13853	10607	9546	4753	6153	5592	7351	5045	14168	22445	5530	1800	3027	5340	16773	15469	1982	5503	26520	31337	7826	4857	15628	5818	49359	6576	23417	8120	5794	7035	10783	11524	9313	20959	8628	12077	5856	19139	19843	27234	4686	282	0	0	5733	13728	0	10948	10308	8714	12874	4566	0	3700	1550	3323	14949	1292	13012	10176	8955	3571	1762	3554	3955	6051	18067	39240	46982	66615	8951	8799	6307	15993	6721	0	5999	7835	15362	10116	7828	9467	14273	2653	2730	18189	9308	8303	39708	17039	14619	23813	10830	13106	0	9758	11966	2507	2678	5050	7311	6044	9013	3660	10683	3489	0	8316	2451	Phytochemical	0.18181819	1.2272727	0.045454547
16	C22 H27 O4 N1	370.2013	370.20163	-0.21915673	370.2012	8718	7572	4639	8517	1616	4253	3477	5030	1539	12528	18367	3764	0	1818	2666	8250	8542	2039	4294	19742	20898	4563	3543	7375	4280	40356	6438	19359	5963	8139	4424	9390	12930	5756	19811	3298	6845	3492	13108	13396	19643	2198	300	0	0	5394	9151	0	7734	4237	6344	6879	3671	0	2308	0	3295	7701	0	9577	6502	6230	0	1136	1284	2460	1830	12802	32487	33973	56797	4933	7620	5379	8702	5289	0	4903	6295	6518	4420	3279	3843	9033	3829	2408	6912	3910	3364	26233	9529	4149	0	6133	12350	0	4316	7686	2610	0	1771	7814	2600	6534	0	0	1197	0	5443	2172	Phytochemical	0.18181819	1.2272727	0.045454547
28	C22 H27 O4 N1	370.2013	370.2015	-0.20718713	370.2012	3048	2171	3039	1691	1489	0	1804	6129	0	0	2580	1887	0	0	2186	9844	5553	0	1737	0	0	2055	0	8363	3732	0	1281	1720	3922	3915	3802	5387	6875	2559	0	5614	3242	2015	5188	0	1560	0	0	0	0	0	0	0	4810	3096	2815	2346	2020	0	0	0	0	10762	0	1481	8671	0	938	0	0	1822	2074	6289	0	1022	2292	5141	4025	3840	4135	2955	0	1541	3404	0	1337	1153	0	0	0	0	3130	2031	2345	22145	2353	2196	9796	0	0	0	1786	1900	891	1104	0	5351	2580	0	0	10098	0	0	2771	0	Phytochemical	0.18181819	1.2272727	0.045454547
20	C22 H27 O4 N1	370.2013	370.20166	-0.2006121	370.2012	21055	23723	17302	14060	9128	8932	13040	21633	4562	23850	36387	11375	6511	7672	13069	30327	26803	5626	8083	37569	42682	24270	9056	25094	9994	80445	9122	34985	16474	17487	11290	16703	16149	18403	26481	17536	14968	10610	31364	33355	46044	12109	0	0	0	13592	24802	0	16572	16598	19687	26409	8640	0	3351	3950	7148	21018	8550	19895	24900	14706	4463	5511	4842	9479	11281	40126	55430	66350	103006	17277	14470	17480	25978	16878	0	12260	21167	24635	11329	7897	14190	26467	5770	5381	21225	18143	10252	51508	26758	26869	38765	25254	24008	0	19411	16771	7402	3578	6164	25496	14032	22456	7935	24133	6718	0	17866	7564	Phytochemical	0.18181819	1.2272727	0.045454547
26	C22 H27 O4 N1	370.2013	370.20154	-0.12644869	370.20123	5195	6070	6837	4390	3642	2292	1598	5935	3042	3719	12528	6574	4113	0	0	10992	5562	0	0	5012	7865	6767	0	15713	0	14643	1801	12083	0	0	4001	8116	7767	7252	4094	0	5554	5345	7985	7803	12390	0	0	0	0	0	6662	0	6572	0	4483	6685	0	0	0	0	2903	8199	0	5345	9621	5366	0	2608	0	5081	5101	10899	16410	6355	14225	8442	6835	0	0	4904	0	3234	7996	8454	3655	6815	5362	7097	0	0	12690	5323	3569	21623	6526	9022	13753	10788	0	0	6329	0	2730	5187	5718	8404	3611	0	0	11440	0	0	5405	2902	Phytochemical	0.18181819	1.2272727	0.045454547
8	C22 H27 O4 N1	370.2013	370.20175	-0.27567792	370.20117	12472	12793	12343	10581	1777	4204	4425	16855	1134	24836	18379	11471	1026	966	7030	16644	12791	2811	3028	32142	28781	3295	7601	16177	7243	25509	8423	18013	12573	17219	14738	20934	16105	14208	17816	15817	21478	8768	13000	20351	6781	5942	0	0	0	10643	9443	0	19965	15546	13622	13103	3672	0	886	0	2311	13182	0	965	17473	5856	0	2099	0	2279	4681	19272	14382	25174	32947	18892	16314	14804	15795	15243	0	10505	7682	7744	6585	662	0	13773	845	0	6253	5327	5472	19967	0	0	15880	8064	22518	0	11066	12275	1580	0	0	19261	8299	10008	0	13966	0	0	5535	0	Phytochemical	0.18181819	1.2272727	0.045454547
14	C22 H27 O4 N1	370.2013	370.2017	-0.2339726	370.2012	6093	6708	5403	7177	0	0	4580	5060	3157	18770	17357	3110	1418	3479	2228	7040	6863	1959	3007	30863	35464	0	2926	7441	5147	53388	3092	22570	6074	6247	5661	8996	7798	5998	18453	5174	6885	2938	8868	16013	10785	2708	0	0	0	5679	8720	0	5171	4807	8038	5328	3231	0	1486	1269	3303	6630	0	0	0	3187	1588	0	1666	2229	3409	12028	27537	45294	44944	4531	6687	5917	8071	4203	0	3417	4452	0	4139	1499	2680	14855	1247	0	4390	3552	4494	22108	11664	2865	14205	5554	12913	0	6618	4891	1279	1683	1186	4731	3766	4212	0	7960	2100	0	4443	0	Phytochemical	0.18181819	1.2272727	0.045454547
10	C22 H27 O4 N1	370.2013	370.20172	-0.25883284	370.2012	13636	9424	9040	11473	1891	4029	5000	13459	1614	31924	20441	7989	1575	3258	6514	12829	9952	3055	4854	40558	40991	4676	7627	14014	6136	47585	6324	22711	12476	12194	10540	12972	13428	13085	31963	14391	13076	6089	9008	16931	7210	4680	0	0	0	13273	13984	0	12778	12765	9433	12979	4431	0	1953	1213	1755	10192	0	0	8438	3650	0	1890	1853	4192	4533	13562	30604	42960	47774	12635	11319	11763	11535	12700	0	4982	5390	7992	6046	0	1082	10879	955	883	6626	4892	5339	15336	12217	0	19627	8582	24134	0	11161	12236	1506	0	957	14078	5064	7747	0	12814	0	0	5235	1314	Phytochemical	0.18181819	1.2272727	0.045454547
26	C19 H31 O4 N1 S1	370.20465	370.205	-0.21824609	370.2046	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1548	2722	0	0	0	0	0	0	0	0	0	0	0	33324	7258	0	0	0	0	0	0	9648	0	0	9222	2038	2264	23314	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.21052632	1.6315789	0.05263158
10	C15 H31 O9 N1	370.20715	370.20767	-0.20594828	370.2071	2047	2837	3269	0	0	1260	0	0	0	5454	3088	0	1306	1639	1066	1440	0	0	0	0	1801	0	900	0	0	0	1302	8184	0	0	0	0	0	0	0	0	0	0	0	4264	3092	1622	1928	1404	1874	7456	9700	1187	0	0	2453	2770	645	2106	0	0	0	0	13434	0	0	6310	9515	1132	2244	1518	1526	0	0	4092	0	0	998	1850	0	1093	2155	0	0	5038	0	0	0	0	1313	1447	0	983	0	0	8450	4332	0	933	0	779	3250	5315	10748	0	0	0	0	3767	499578	0	0	843	0	1849	Lipid	0.6	2.0666666	0.06666667
14	C15 H31 O9 N1	370.20715	370.20755	-0.24779685	370.20706	4295	2076	5186	6109	17825	6862	3419	0	2996	3086	6700	3526	8696	10619	2887	0	4893	6294	1760	3705	2049	0	2141	0	1795	3122	6073	18935	2365	2209	2920	0	3212	3053	4301	2416	0	0	4162	5017	4171	3471	9439	8316	5091	8382	4204	7788	2837	0	6144	5832	6002	5695	0	1921	9958	4716	0	0	0	6762	18709	4217	20931	19018	21684	4571	0	9125	4534	2914	3173	1919	1690	2911	5729	3095	2250	0	3036	5959	2449	3351	4440	15177	2209	7003	6136	0	9677	5083	0	7455	3203	7517	5796	2935	7981	4047	2837	0	3080	4368	83143	2186	6575	8848	2891	4435	Lipid	0.6	2.0666666	0.06666667
12	C15 H31 O9 N1	370.20715	370.20764	-0.27365282	370.20706	1733	0	0	0	2589	0	0	0	0	1645	0	0	2008	1467	0	0	0	1393	0	0	0	0	0	0	0	1330	2028	0	0	1349	0	1262	0	0	0	1481	0	1050	1653	0	0	1362	7291	1570	1942	4513	0	1597	0	0	0	1607	1677	2417	0	1616	995	0	5830	0	0	3726	5932	0	2340	0	1032	0	0	0	0	0	0	1068	0	0	2355	0	0	0	1185	998	1244	0	0	1935	0	1060	0	0	0	0	0	0	2259	1939	3153	0	2280	0	0	0	0	0	219151	0	1910	2204	0	1119	Lipid	0.6	2.0666666	0.06666667
0	C16 H27 O5 N5	370.2085	370.20892	-0.330298	370.20837	0	1865	2491	2577	0	0	0	2893	530	0	0	0	0	0	1316	0	1763	0	0	0	0	0	0	0	0	0	0	9942	2258	1769	0	2116	1304	0	0	0	2259	1427	2005	0	0	0	0	0	0	0	0	0	1404	2785	0	1927	0	0	400	0	0	1706	0	0	0	0	0	0	1553	0	0	1862	0	0	0	0	3870	2945	0	2882	0	1174	1180	25142	0	0	0	0	0	0	957	0	0	2400	18841	4770	4194	0	0	0	0	0	0	0	0	0	0	0	0	2619	513	0	0	0	Peptide	0.3125	1.6875	0.3125
14	C23 H31 O1 N1 S1	370.2199	370.22018	-0.75933677	370.21964	0	2670	0	2294	0	0	0	0	0	15834	5009	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5929	0	0	0	0	1607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	75526	9338	0	9980	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33791	166045	0	0	0	0	0	Organosulfur	0.04347826	1.3478261	0.04347826
26	C19 H31 O6 N1	370.2224	370.22278	-0.1379824	370.22235	10679	7960	10867	8880	14793	5971	3008	8852	12100	9937	4859	5790	26942	11659	6836	7210	10016	16531	16233	11305	9292	8298	0	9170	0	12194	3340	6563	9084	11583	5958	6734	8945	7225	7298	8262	7696	6767	7955	10546	15110	8277	0	0	0	6030	9078	0	6370	0	7797	9380	10722	0	11554	10360	6708	9886	2555	6296	10727	7751	15063	14080	3193	23236	9077	8971	13112	19816	23319	5408	12834	0	0	8247	0	4297	12089	0	6164	3776	4981	9608	11524	0	9896	5738	5731	8231	10198	7239	8584	4555	6010	0	9285	8575	7923	17299	18217	6913	4169	5347	6053	5972	7208	0	4964	16126	Lipid	0.31578946	1.6315789	0.05263158
10	C18 H31 O5 N3	370.23364	370.23395	-0.1741543	370.23358	2262	2216	1565	1909	0	1469	0	1149	0	0	0	1199	0	0	0	0	2228	0	1747	0	0	1361	0	1363	1424	0	0	7017	2665	1050	1433	1738	2412	1984	0	908	1475	1104	1572	0	0	0	0	0	0	0	0	0	1279	0	1706	2259	0	0	0	0	0	5133	0	0	0	0	0	0	0	0	0	0	0	0	0	1393	0	1585	0	1888	0	0	0	10616	0	0	0	0	0	0	1955	0	0	7458	67848	34566	4464	1924	1086	0	2659	2240	0	0	0	0	0	0	0	3904	0	0	1456	0	Peptide	0.2777778	1.7222222	0.16666667
8	C18 H31 O5 N3	370.23364	370.23398	-0.17583719	370.23358	1778	1621	1783	0	0	0	0	1244	0	0	0	0	0	0	1092	3608	1148	817	904	0	0	1124	0	2566	2135	0	0	2700	1374	703	754	882	2065	849	1622	2141	2464	1521	1181	0	0	0	0	0	0	0	0	0	1986	1747	1383	1755	0	0	0	0	546	2818	0	0	0	0	0	679	0	0	785	0	0	0	0	1139	1106	1351	0	1334	0	577	0	8294	766	0	0	0	0	0	1200	859	787	2706	33728	11961	7996	0	1335	0	0	954	0	0	0	2836	0	0	0	2911	0	0	1874	0	Peptide	0.2777778	1.7222222	0.16666667
12	C18 H31 O5 N3	370.23364	370.2339	-0.11073115	370.2336	0	1855	2203	2421	0	0	0	1411	0	0	0	0	0	0	0	2735	0	0	0	0	0	0	0	0	2262	0	1259	0	0	1162	1108	0	2077	1433	0	1075	1655	0	1369	0	0	0	0	0	0	0	0	0	0	0	1640	1960	0	0	0	0	0	2324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1216	1470	0	0	0	0	1713	0	0	0	0	0	0	0	1288	0	0	10911	58391	44858	11380	0	0	0	1708	0	0	0	0	1739	0	0	0	2483	0	0	1081	0	Peptide	0.2777778	1.7222222	0.16666667
16	C21 H32 O3 N1 Na1	370.23526	370.23544	-0.23863347	370.23517	0	1800	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2949	0	0	20664	0	17865	0	16074	0	0	0	0	0	1394	0	0	0	0	0	0	3859	0	0	1994	0	0	0	0	0	5664	0	1552	0	0	0	0	1623	0	1501	0	0	0	0	0	23203	4382	7717	6099	0	0	0	0	0	0	0	0	0	0	0	1259	3299	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.14285715	1.5238096	0.04761905
14	C21 H32 O3 N1 Na1	370.23526	370.2356	-0.120033465	370.23523	8040	5881	3926	5558	0	4172	1959	0	0	0	0	6118	0	0	0	2633	0	0	2402	0	0	0	0	0	0	0	4718	0	62548	6390	0	113580	0	91407	0	122136	0	0	0	0	0	18330	0	0	0	0	0	0	42853	0	5902	8414	1188	0	0	0	2852	10031	0	0	0	0	0	1916	8319	0	13671	0	0	0	0	0	94608	35816	75283	46017	0	6441	0	0	0	0	0	0	0	0	0	11610	30882	0	0	0	0	0	0	0	6191	7330	1024	0	0	0	5476	0	0	0	0	0	0	0	Lipid	0.14285715	1.5238096	0.04761905
8	C23 H31 O3 N1	370.23767	370.23816	-0.19757602	370.2376	2272	1720	2979	3409	0	0	1239	12415	0	1422	915	3482	0	0	2321	7096	2747	0	0	2722	3339	0	1450	6865	3468	1721	1637	0	18742	10410	6562	19754	6509	15332	2069	23728	5581	3545	1382	0	0	2016	0	0	0	0	0	0	23263	8073	1957	2483	0	0	0	0	0	4003	0	0	7105	0	0	0	0	0	1114	5315	0	0	0	10329	8076	11046	13535	8312	0	2640	991	0	818	0	0	0	0	0	0	1882	2139	4627	0	0	7540	0	3119	0	3617	2098	0	0	0	3242	3211	0	0	15842	0	0	0	0	Lipid	0.13043478	1.3478261	0.04347826
24	C23 H31 O3 N1	370.23767	370.23798	-0.17587633	370.2376	3925	4742	3203	2818	2261	0	2354	9608	1679	2649	4114	7266	0	1200	7087	11483	9877	0	2051	3795	2475	4674	6712	10698	6950	8992	2339	4050	7677	12568	8298	6578	5431	7931	0	8652	7371	5579	9062	5322	7317	2409	0	0	0	3728	3471	0	7038	10341	3509	2909	1635	0	1444	1715	1785	7147	1628	5386	10662	1323	0	1405	0	1946	3130	11411	8689	5998	9768	5949	6608	11770	7974	12696	0	7672	5795	7356	4121	1322	2896	4878	1570	0	7387	2880	3755	20919	5206	2836	9012	3519	6504	0	3263	6771	2228	2890	0	10420	7452	4196	1878	11242	1700	0	7858	1259	Lipid	0.13043478	1.3478261	0.04347826
12	C23 H31 O3 N1	370.23767	370.23807	-0.22241622	370.23758	3004	1632	2771	4489	0	1651	0	5718	0	6252	9467	3602	0	0	2875	9789	3217	0	0	7270	6934	0	0	5733	2258	15288	2545	0	6820	5742	6878	12121	3723	6920	5246	9818	4169	2989	0	0	0	0	0	0	0	0	0	0	12229	4853	3224	2483	0	0	0	0	0	9061	0	0	0	0	0	0	0	0	1367	7428	0	6767	7637	9587	5272	5741	67658	5312	0	3349	0	0	1104	0	0	1497	0	0	0	1069	1913	15148	2549	0	7664	0	4218	0	3113	3384	0	0	0	4256	3241	0	0	21563	0	0	1286	0	Lipid	0.13043478	1.3478261	0.04347826
10	C23 H31 O3 N1	370.23767	370.23813	-0.20021361	370.2376	5683	4229	5005	3883	0	1986	0	20869	0	3462	3892	6751	0	0	3091	15884	2112	0	0	6281	3297	0	2350	17089	5882	4173	1858	0	16827	14941	8729	35507	7688	10113	3964	29437	7223	2482	2052	1837	0	3633	0	0	0	0	0	0	70070	14809	4296	5191	0	0	0	0	0	8367	0	0	9981	0	0	0	0	0	1571	6597	0	2696	3193	10637	7710	11844	99615	9851	0	5035	0	0	1507	0	0	1911	0	0	0	1127	1947	4947	0	0	7555	1008	2465	0	3777	5027	0	0	0	9554	4418	0	0	23784	0	0	1772	0	Lipid	0.13043478	1.3478261	0.04347826
12	C16 H35 O8 N1	370.24353	370.244	-0.16142009	370.24347	12050	7381	10002	11712	9593	5626	10149	9187	4178	17851	24467	6050	12890	6578	9164	9644	19615	7952	7239	10205	13058	14381	9123	7077	7441	8643	5434	14766	7512	7579	3346	1931	8078	6029	16570	4836	6394	5880	11535	14740	28833	9638	17020	12331	18694	27193	50170	12187	1669	7253	9722	7978	12034	39370	7807	9933	9847	7282	99859	26405	0	40016	19286	4612	7761	15100	5450	10719	0	5250	14786	5472	5479	6858	4691	3182	18773	4800	0	19756	4968	6782	4202	4005	10058	9524	3379	11092	4861	7873	3839	12919	14536	10616	10255	10087	11183	11697	12942	6388	10314	10943	4551	8156	931652	9337	10949	13055	3882	9505	Lipid	0.5	2.1875	0.0625
16	C16 H35 O8 N1	370.24353	370.2439	-0.1950275	370.24347	2900	4348	2311	2653	4896	2502	2589	1569	3065	3226	7913	3384	3924	6410	1320	0	2168	4643	0	1817	0	1950	1238	0	1843	1317	3627	6493	0	1661	1712	0	2210	2378	2839	0	2404	1551	4279	3285	2346	4239	8939	7904	6832	1590	5186	8451	0	1161	3493	2602	4599	10863	0	2070	7971	0	12296	4963	0	8926	5832	3145	28298	14976	23473	5943	2457	0	2328	1693	2013	2123	0	2150	8576	1519	3681	7893	1836	4321	2997	2860	3234	18482	2305	9258	1594	0	3945	6744	0	5581	0	7077	4487	2877	6039	2788	0	3139	1808	0	314033	0	2289	8485	1190	0	Lipid	0.5	2.1875	0.0625
0	C16 H35 O8 N1	370.24353	370.2443	-0.10070987	370.2435	0	0	0	0	0	0	0	0	0	0	61803	0	0	0	0	0	0	0	0	0	1919	0	0	0	0	0	0	255302	0	0	0	0	0	0	9539	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1109000	0	0	0	0	0	0	0	0	0	0	0	0	0	137725	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.5	2.1875	0.0625
2	C16 H35 O8 N1	370.24353	370.24423	-0.09726269	370.2435	18051	14357	15533	16842	686	0	0	0	3896	112417	42453	0	544	2685	425	0	494	0	404	6115	1914	9497	0	0	0	0	0	134117	1382	0	0	689	0	0	61887	0	0	0	0	2766	0	5830	0	0	0	475	953	0	0	0	21084	22346	644	0	2161	0	5247	0	0	0	765	913	1294	2394	0	2580	11427	0	0	846	686	0	0	0	0	0	0	0	0	210103	0	0	0	0	295	649	0	1543	1018	0	270710	61238	0	67291	171753	0	16601	18475	911	0	0	0	0	636	10710	0	0	0	0	490	Lipid	0.5	2.1875	0.0625
22	C20 H35 O5 N1	370.2588	370.25916	-0.19627759	370.25873	24186	23956	25867	23172	19692	18801	60056	37934	8391	10065	12918	19691	15688	24967	34292	34757	45611	18800	28845	12670	13504	14452	12695	20842	30746	10500	62475	14412	32082	25196	15177	22300	38936	22254	10645	27231	22863	35951	43610	9806	17423	119520	2961	0	0	10463	17457	0	29617	28108	22590	18231	18490	1304	22974	18981	17232	31263	10937	22929	29977	7450	20838	15849	16518	33878	27446	39679	8271	8065	12578	18619	18770	25068	38131	21634	0	11934	19391	40177	10601	13389	32192	27874	15017	16577	26205	19814	20920	55453	52447	40372	23062	17756	19679	0	22686	30579	15031	24385	25278	42151	15788	19860	10394	25011	22052	0	29790	19904	Lipid	0.25	1.75	0.05
8	C20 H35 O5 N1	370.2588	370.25928	-0.18058483	370.25873	9340	8935	7776	14247	0	1224	7736	8074	0	1229	0	4420	0	0	4140	7463	2492	0	9489	4069	956	3840	3432	5755	6597	0	13876	0	12257	8386	8410	13673	9310	6613	7786	7011	7772	5375	4214	0	1185	2327	0	0	0	0	0	0	15603	7288	5821	10766	1040	0	0	0	2912	10706	0	0	8746	0	0	2655	2948	1197	2551	4192	0	1141	0	9732	7378	7123	36724	11003	0	6778	3607	0	1555	0	0	1308	0	0	20634	2103	3825	17973	14122	0	8918	0	2565	0	6223	5738	0	0	0	12118	5133	4128	0	3750	0	0	5421	0	Lipid	0.25	1.75	0.05
6	C20 H35 O5 N1	370.2588	370.2593	-0.16911036	370.25873	24874	21348	23847	19219	0	5106	9285	30946	0	4655	3216	57192	0	439	8236	16098	13901	988	6906	35633	19361	3821	3743	8175	10152	0	11332	2273	170242	171514	100337	126738	75394	97398	5807	118832	71477	6870	18570	3391	0	18312	0	0	0	3062	2421	0	274050	30187	24199	19106	3244	0	3256	0	8354	19719	0	0	10655	1433	0	11116	12310	1340	23136	16070	0	1560	0	58687	87290	29746	91705	146646	0	56496	4877	0	3442	0	316	979	1348	3418	14228	3644	41977	16645	13315	5846	9568	3052	3963	0	21898	20261	633	0	0	73539	41450	27130	0	6224	0	0	8617	0	Lipid	0.25	1.75	0.05
14	C20 H35 O5 N1	370.2588	370.25916	-0.07733477	370.25876	0	1669	0	0	0	0	0	2239	0	0	0	0	0	0	0	4030	0	0	0	0	0	0	0	0	1974	0	2109	0	2566	3922	1860	0	6539	2241	0	2336	0	1398	0	0	0	0	0	0	0	0	0	0	1803	1513	2464	2396	0	0	1788	0	652	8048	0	0	0	0	13787	1471	0	0	0	3697	0	0	0	1629	1283	3727	1848	3356	0	0	0	0	1066	0	0	0	0	0	2979	0	0	13642	21574	2035	4281	0	0	0	3531	0	0	0	0	0	0	0	0	2558	0	0	1517	6095	Lipid	0.25	1.75	0.05
26	C20 H35 O5 N1	370.2588	370.2592	-0.13160066	370.25876	13336	11202	13144	13564	13294	8235	23933	11311	13625	7088	13862	6100	19348	16425	8538	15700	8911	14158	20473	7994	10892	11343	8670	12502	18669	0	15058	21537	21346	16394	13373	20838	24210	16908	10583	23795	24371	8588	11065	10120	6679	11239	0	0	0	6957	6580	0	23121	10447	15492	12062	13452	0	23736	15368	14699	25654	11122	9389	23581	5298	15649	10730	14568	25613	36245	11087	0	6519	4562	9784	12276	15697	6941	15054	0	7739	10133	18421	5552	10573	9909	4892	14019	13730	18624	9995	14554	14334	36571	29953	37160	10859	9332	0	12229	16128	10531	10901	14691	28364	7314	17111	15172	16099	9207	0	14292	11285	Lipid	0.25	1.75	0.05
20	C20 H35 O5 N1	370.2588	370.2592	-0.09937595	370.25876	8239	8866	7144	8792	4309	6339	21834	10079	2917	0	4087	8547	5601	4866	4715	15429	17936	7264	9055	0	2457	4942	4336	10820	10831	4988	23706	2284	10516	11329	5742	9941	12342	6682	0	10678	10031	3158	15410	2093	1707	7624	749	0	0	2884	4390	0	10651	10524	7839	5816	4502	793	6925	1776	3061	16384	979	8941	10702	0	7951	6423	5972	6008	6576	19035	2161	1615	0	4197	5683	9961	19853	9847	0	5009	10783	10938	4541	1993	17764	11352	6920	6239	16699	6424	5657	26209	22997	10030	15190	4463	8408	0	5494	9078	8562	7074	8458	13472	5234	6349	3615	11373	7295	0	11149	6109	Lipid	0.25	1.75	0.05
26	C24 H35 O2 N1	370.27405	370.27435	-0.10963208	370.27402	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2270	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8711	0	0	32406	0	0	4463	0	0	0	0	0	0	0	0	4779	0	0	0	2602	0	0	0	0	Lipid	0.083333336	1.4583334	0.041666668
24	C24 H35 O2 N1	370.27405	370.27414	-0.26488534	370.27396	0	1212	0	0	0	0	0	0	0	0	0	1190	0	0	0	0	0	0	0	0	0	0	0	0	6086	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2181	938	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2139	1743	0	0	0	0	0	0	14123	0	0	114029	3754	4707	3056	0	0	0	0	0	0	0	0	0	3268	0	0	0	0	0	9977	0	Lipid	0.083333336	1.4583334	0.041666668
22	C24 H35 O2 N1	370.27405	370.2743	-0.36367586	370.27393	0	0	0	0	0	0	0	2215	0	0	0	2473	0	0	0	0	0	0	0	0	0	0	0	0	1441	0	0	0	0	1585	1878	0	0	0	0	1822	0	0	0	0	0	0	0	0	0	0	0	0	0	2772	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2439	0	0	0	1993	0	0	0	0	0	0	0	0	6938	0	0	51167	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4318	0	Lipid	0.083333336	1.4583334	0.041666668
26	C21 H39 O4 N1	370.2952	370.29532	-0.19241785	370.2951	0	2457	2114	2327	0	0	19290	0	0	0	2691	0	0	10589	0	11599	26839	0	0	0	0	0	0	0	6009	0	17671	7778	0	0	0	4006	0	6493	0	0	0	0	30120	0	0	0	0	0	0	0	0	0	7082	0	0	0	0	0	0	0	0	13143	0	0	10207	0	1893	0	9097	2254	3412	17992	0	0	0	0	0	0	0	0	0	0	0	7526	0	4367	3407	2207	0	0	1572	0	0	0	5450	3706	0	6174	0	0	2645	0	0	3615	0	0	0	0	0	12908	0	0	3924	0	Lipid	0.1904762	1.8571428	0.04761905
24	C21 H39 O4 N1	370.2952	370.29538	-0.15386361	370.29514	1370	2922	1535	0	2534	2197	77098	0	0	0	1105	0	2759	11917	0	0	1351	0	0	0	0	0	0	0	0	7359	82092	4480	0	2177	0	0	0	0	0	0	0	0	1948	1113	0	3006	0	0	0	0	0	0	1244	0	1321	1651	0	0	0	0	1485	0	0	1895	3764	896	9552	0	6443	0	1869	1516	0	2370	0	0	0	0	0	965	0	0	0	2539	0	4254	17288	16924	0	0	0	0	1380	1712	0	0	1306	0	0	0	1611	1254	2063	0	0	0	0	4168	0	0	0	0	0	2438	Lipid	0.1904762	1.8571428	0.04761905
14	C18 H10 O9	371.03976	371.04022	-0.12611723	371.0397	2852	2325	1830	3342	9654	3116	0	0	10590	2104	3107	2093	11223	2629	2380	0	0	5167	8866	0	2440	10884	1314	0	0	0	0	0	0	0	0	0	1953	0	6752	0	0	1124	0	0	0	1690	0	0	0	0	0	0	0	0	0	3149	6502	0	5255	7568	3699	0	0	0	0	0	22161	9384	2445	9135	2916	0	0	0	0	0	0	0	0	0	0	1186	1814	0	2997	1396	0	0	10730	3778	2137	4608	4783	0	0	2451	0	13285	6528	0	2369	2637	8922	12934	12840	0	0	0	0	1371	5579	0	0	13769	Phytochemical	0.5	0.5555556	0.0
22	C18 H10 O9	371.03976	371.04016	-0.13460766	371.0397	5719	6384	5308	5825	12742	7608	5320	4270	13109	0	0	5935	14152	5662	8639	8711	9059	16733	18801	0	0	5983	8770	7187	5674	0	5267	0	6935	4190	2429	3688	5443	4808	2791	2417	5446	10807	8459	0	0	8408	0	0	470	0	2186	0	5448	4058	7405	5443	10389	318	7397	9799	6924	9527	1945	2121	6815	0	16830	15549	9645	11652	10169	4129	0	0	0	4781	2755	1834	4140	3302	617	5412	19868	2683	11492	0	0	0	19993	11754	14535	11022	13077	12724	0	0	7844	6568	2144	0	6631	4379	7043	19600	11186	7681	4514	1355	0	7360	6983	0	5521	21168	Phytochemical	0.5	0.5555556	0.0
16	C18 H10 O9	371.03976	371.04025	-0.022656823	371.03976	3635	5904	7627	6742	10927	4662	1307	0	13491	3119	2932	2098	26886	5979	1804	2385	2469	18605	18599	0	6257	12666	4675	0	1286	0	2437	0	0	0	0	0	1893	1312	3731	0	1903	2516	0	0	2830	4029	0	0	0	2869	2413	0	0	0	4628	3687	8694	0	13498	12748	7222	0	2879	2491	0	1292	23627	15302	5662	14800	7434	1464	0	0	0	0	0	0	0	0	0	2009	6854	7486	4428	2449	0	0	14750	5974	6053	5892	8163	0	0	2047	0	18363	6099	0	4637	2633	11954	19771	14326	2679	2543	0	0	0	11336	0	1110	22438	Phytochemical	0.5	0.5555556	0.0
20	C18 H10 O9	371.03976	371.04016	-0.05346669	371.03973	5328	6231	5370	4962	15072	8949	4168	2451	12677	0	0	4649	20501	10008	7412	5104	4234	23768	25449	0	2796	10830	8361	6292	4091	0	3154	0	4532	2711	2412	1589	6274	3867	3367	0	7914	6728	6456	1948	3069	7670	0	0	355	1976	3660	936	1409	2234	5709	9377	14368	0	14012	9754	10683	7010	2268	1721	4714	0	24808	17264	8942	22768	8515	3297	0	0	0	2670	2064	0	5808	1419	437	2851	14833	5426	10451	2277	0	0	17448	10139	11487	14882	13762	9700	0	2880	5254	9719	4108	0	5553	4006	9398	15494	21201	10704	4701	0	1351	4002	13360	0	7296	21288	Phytochemical	0.5	0.5555556	0.0
18	C18 H10 O9	371.03976	371.04022	-0.03214977	371.03973	4990	5791	7379	6519	18738	7308	3846	2375	10411	2902	2506	3317	20706	7739	6547	4384	2785	22549	21117	0	0	12124	7490	2927	1948	0	2507	0	0	0	2040	0	5586	0	4685	0	5374	6957	2851	0	3091	7382	675	0	338	2153	3075	556	2035	0	4757	7319	13655	0	12224	14141	8979	5969	2594	1342	2924	2028	32363	22059	8822	20703	7802	2348	0	0	0	0	0	0	1582	0	281	1693	15608	7812	9568	2380	0	0	18634	11890	11071	9351	10950	5198	0	0	3186	10820	11274	0	3645	5004	9188	13279	17200	4769	3145	0	1908	3578	12880	0	3503	22138	Phytochemical	0.5	0.5555556	0.0
12	C15 H14 O9 S1	371.04312	371.04367	-0.10572383	371.0431	0	2469	3601	3611	3820	3012	0	0	3713	9361	7998	0	6116	1244	0	0	0	4146	3033	1306	4268	13307	0	0	0	1265	0	0	0	0	0	0	0	0	9871	1009	0	0	0	2912	5313	1334	0	0	0	0	5553	0	1136	0	0	2531	2740	0	2289	2476	1578	0	0	0	0	2436	2460	2303	0	5316	0	0	0	1716	2689	1332	1757	0	0	1282	0	0	0	0	1127	951	1210	1145	1701	1573	1501	1032	0	0	0	2656	0	24208	14563	0	2022	0	2817	4436	2489	0	0	0	0	0	2194	0	0	2810	Organosulfur	0.6	0.93333334	0.0
14	C15 H14 O9 S1	371.04312	371.0437	-0.12578794	371.0431	1920	6371	0	0	5178	2818	0	0	3717	9668	6308	0	9616	2334	0	0	0	8429	4634	0	4646	11594	1056	0	0	0	1173	0	0	0	0	0	0	0	8659	0	0	0	0	1609	6710	1292	0	0	0	0	0	0	0	0	2393	0	2725	0	5510	4414	2273	0	0	0	0	6322	4494	5267	686	6638	1741	0	0	1761	2396	0	0	0	0	0	0	0	0	0	0	0	0	1708	4017	0	0	2687	2283	0	0	2261	0	20103	13346	0	2168	3116	3122	4112	4182	0	0	0	0	0	4170	0	0	7238	Organosulfur	0.6	0.93333334	0.0
8	C15 H14 O11	371.06088	371.0614	-0.0842486	371.06085	4882	6350	4318	7397	18679	4789	1117	0	20671	788	2326	2809	39427	4086	721	1093	2436	14000	17753	0	1446	5120	4399	0	658	0	887	0	0	0	1119	0	2274	1127	3192	0	1509	1625	1254	0	2463	6170	0	0	0	0	0	0	0	0	5041	6601	9837	0	18125	28643	7557	1046	0	2080	0	0	49307	34449	8312	26499	7352	1519	0	0	0	0	0	0	1443	923	0	1354	4535	0	3311	617	0	0	24438	4528	2989	9245	6462	1772	0	0	1652	8269	2639	0	6276	3553	20589	44156	34097	3068	2183	0	0	1529	16018	0	0	48370	Phytochemical	0.73333335	0.93333334	0.0
10	C15 H14 O11	371.06088	371.06143	-0.06490528	371.06085	10729	11300	9087	12944	37164	13512	0	2637	38427	3167	8416	4790	68486	8244	3814	2354	3352	32806	33190	0	6813	11361	7760	2610	0	0	1550	0	1932	1215	0	1245	3942	962	5404	1663	3647	5303	1720	1930	3082	12259	0	0	0	0	2135	0	0	1197	10744	6316	17462	0	37128	41768	13868	2470	2007	2358	0	1279	80845	55626	13527	47968	15062	4039	0	0	1859	1308	1188	0	1822	0	0	3332	7488	0	8366	816	0	0	39133	8632	4282	15373	11266	3001	0	0	2205	13502	5235	0	10884	9013	33551	59845	47302	7143	2927	0	0	3034	24000	0	839	82990	Phytochemical	0.73333335	0.93333334	0.0
24	C19 H14 O8	371.07614	371.0765	-0.08341226	371.0761	11619	12227	7933	11827	20084	9893	2479	1847	20382	22575	8162	2709	28013	10652	5633	3306	2536	24739	19924	11219	10168	24920	7314	5951	3441	11445	3051	5010	1801	0	0	1338	2571	2323	17896	1081	3307	5306	1985	9483	10562	4484	0	0	0	8434	16681	0	2948	1200	9225	8620	11881	0	15180	16864	7108	4171	4804	2357	3602	6010	27312	19451	5148	22751	6564	2588	8726	10691	14073	1828	0	0	3253	965	0	3453	12535	18780	15017	6201	3104	6362	23897	12839	10724	10542	8281	2198	5171	5444	6873	29191	30784	0	9281	11160	15360	19647	21530	2407	1698	3255	5859	3062	12687	0	4659	25464	Phytochemical	0.42105263	0.7368421	0.0
16	C19 H14 O8	371.07614	371.0766	-0.06960039	371.0761	50809	50674	46727	51198	63212	39319	18569	15389	73548	158105	93247	17900	90059	35098	22167	23126	16320	92869	92494	103093	96029	121307	37359	23897	18212	66458	16743	58041	14581	10892	12967	13393	27365	10680	193487	9880	25753	22001	18949	59552	74952	28008	2163	0	509	40182	63354	966	22131	9812	53198	57207	52007	0	72892	56738	35379	25571	24140	19355	21009	51536	100117	64791	25688	75756	39145	15420	80494	91914	105543	13276	9103	3689	10139	13763	401	13550	47049	84530	38391	54567	18708	48843	73599	42706	39055	30738	36982	39553	42326	47565	44211	105385	137747	747	42674	55949	55207	68845	61681	24464	13949	22624	36424	25920	51337	489	19489	99089	Phytochemical	0.42105263	0.7368421	0.0
22	C19 H14 O8	371.07614	371.07654	-0.10071503	371.0761	18857	20090	15502	18790	27097	19985	8733	8410	33000	39584	19990	6087	37879	21053	9670	10079	9245	46195	32378	21944	25394	46511	14338	10954	6596	25607	3962	9466	4699	2241	3309	6407	9084	6349	35688	4316	10380	10194	7835	17934	26085	9080	0	0	751	19427	21853	0	6078	3717	15485	18590	23283	679	23750	23915	19483	10440	8902	7800	4678	15967	55434	31389	17319	34836	12665	7085	22100	31688	35875	4766	1936	3113	2703	3788	611	7050	29743	33386	19193	18124	7632	14025	40704	22901	25521	15208	17627	9824	8208	11659	10920	61478	59826	0	15862	17530	29257	45703	31888	5406	7911	7601	15182	7759	28030	0	9493	43614	Phytochemical	0.42105263	0.7368421	0.0
14	C19 H14 O8	371.07614	371.07663	-0.06830639	371.0761	43944	39378	35056	36797	43742	22568	13111	7391	52325	118302	79126	9461	63133	21797	18129	23841	14335	55422	60550	65333	75852	88352	24313	17630	10890	52152	14461	38174	7527	8151	8353	0	16977	7650	137464	6613	17907	18154	15000	44086	62333	21115	0	0	285	27764	48831	353	10152	9806	38585	43511	29970	450	49255	38573	23713	25690	12832	17027	0	33318	76111	49936	22146	48214	25780	14577	64844	66802	103610	10826	6155	3089	9209	9906	0	11187	36443	64548	30552	37335	10555	34029	50758	24831	38477	22740	24132	31762	22885	17559	29435	85032	96481	0	33285	34547	38520	54974	51094	13228	12728	18503	30227	18649	34838	343	12109	59396	Phytochemical	0.42105263	0.7368421	0.0
10	C19 H14 O8	371.07614	371.07666	-0.016594518	371.07614	7579	7638	7200	7574	9423	5567	1761	1940	8838	23610	16279	4839	11865	6288	1210	4290	3001	7158	11572	11603	17782	13629	5585	2043	1001	8850	4437	6480	2140	2217	3306	2487	2913	2050	28047	1362	3600	3674	4935	9172	10379	4217	0	0	0	6829	10782	0	1473	1851	9536	6027	4984	0	12440	10382	4719	3629	0	4707	0	5272	14069	9142	5471	10366	4362	2608	19584	11707	23223	2027	2642	1053	2618	2751	0	3294	9796	7534	6741	7363	1691	2712	14173	5388	6494	4639	4561	7762	0	3354	5375	19084	18480	0	11774	6953	8985	15476	13841	1459	3405	3427	0	2514	8493	0	2703	13032	Phytochemical	0.42105263	0.7368421	0.0
20	C19 H14 O8	371.07614	371.07654	-0.09704987	371.0761	36892	41684	35513	33498	58576	31415	10907	8193	57229	71442	45365	10999	69333	34560	14550	16556	7296	65593	67067	42102	59754	70232	20974	15251	14360	55925	13690	27251	13631	7123	10346	4612	15300	11149	89855	4353	21110	16646	10460	40889	46676	19253	2289	946	840	37186	41810	1967	4790	8678	37601	30950	35633	646	52317	46580	25084	13287	18700	14386	11512	26756	72015	46640	23725	53540	31550	11073	42875	43573	62669	9637	5398	3242	7203	7596	764	10369	42262	53089	32982	28840	11801	35905	57550	31411	36135	25130	25168	20551	23436	19239	21296	72287	72737	1376	37042	33113	48338	64876	58232	17473	12184	16495	25310	15084	37590	1104	16460	74122	Phytochemical	0.42105263	0.7368421	0.0
26	C19 H14 O8	371.07614	371.07645	-0.17238443	371.07608	6088	8072	7813	8090	12136	7132	0	0	12267	14815	3425	0	15418	9026	0	0	0	22469	16323	8011	7117	18093	0	0	0	4835	2927	0	0	0	0	0	2750	0	20504	0	3753	0	2190	6098	6970	0	0	0	0	0	8723	0	2447	0	7211	6733	7450	0	14771	8048	4606	2550	2636	3832	0	3121	23196	11426	3471	11589	4275	2530	8381	9907	11575	0	0	0	0	0	0	0	12620	15395	8765	4842	0	2775	16980	0	7733	5265	4595	4397	3811	3598	4024	19508	25984	0	6127	6757	11017	13943	11856	0	0	0	0	2992	10433	0	4044	23674	Phytochemical	0.42105263	0.7368421	0.0
12	C19 H14 O8	371.07614	371.07663	-0.06671894	371.0761	22538	22898	18101	17386	19598	10427	5769	6708	24392	56098	44222	6130	27000	9604	6937	13101	6105	25406	29076	35507	38868	46491	12426	10345	3301	24137	8031	15451	4329	3294	5435	4669	7151	4699	75045	2703	8061	7293	7637	21258	31520	10325	563	0	0	16144	26453	0	6341	3901	21942	19358	11820	0	26603	17865	10668	12365	9282	9128	0	15741	42728	21997	9165	25954	10903	9121	35755	39347	55821	4340	4039	2414	3967	3597	0	6958	18958	27806	16433	16154	5088	13144	25085	14973	11813	9336	13042	13564	9202	11841	15926	39027	43919	0	20319	17747	23842	27049	21215	4529	4422	6212	0	7319	22605	0	7263	28351	Phytochemical	0.42105263	0.7368421	0.0
18	C16 H18 O8 S1	371.07953	371.07996	-0.07188195	371.0795	89397	74592	76328	67294	149451	66118	20516	21340	92370	230185	114613	16521	159040	60029	30889	34084	23447	163436	130017	156732	130478	183307	41545	32209	37039	86458	22640	78172	14520	17673	23578	8792	37531	12381	265092	21324	38706	33836	19037	134221	105979	44467	4118	464	624	63298	69798	1301	23087	9049	84601	67002	79777	589	111353	87380	53474	35121	53654	27248	39670	109028	144608	98343	40212	100793	68469	26236	94923	122975	127358	17531	15047	1744	5585	13670	317	16113	64583	118705	49739	71293	22098	84232	96895	63338	55715	62654	61483	42511	79766	126251	43853	159633	219420	578	84331	66048	73191	94690	85424	42063	11419	44435	53736	37612	78437	559	32281	160225	Organosulfur	0.5	1.125	0.0
14	C18 H14 O7 N2	371.08737	371.0879	0.023295846	371.08737	34502	34596	29250	30890	28086	20608	17902	11102	25624	59724	70272	13728	38202	13608	17534	30230	28412	43144	39820	39096	59034	85398	15504	16692	20076	38394	20634	20518	13676	10936	12260	0	26982	14466	143994	8740	12550	15168	28456	71920	78624	17846	0	0	0	39324	44708	0	17462	9298	27336	28468	33610	570	34240	21966	16328	38678	10352	11466	0	51914	49428	30272	15262	27426	16150	42194	53716	73850	77828	9212	8900	3118	20372	9558	0	12578	35182	59448	22484	37916	18290	36796	27154	11372	36934	25216	21990	48954	38534	47076	79602	76150	88922	0	31974	34474	22456	28482	30334	22292	20084	21050	0	28270	22236	0	30194	46208	Phytochemical	0.3888889	0.7777778	0.11111111
20	C18 H14 O7 N2	371.08737	371.08774	-0.09370858	371.08734	3781	4695	6085	3218	4811	1288	0	0	2406	9348	6758	2813	3048	0	0	3054	2725	4934	5400	3555	5010	14148	2789	3644	2306	4088	1765	4192	0	0	0	2895	4524	4068	5936	2167	2350	1446	3620	9368	16008	2084	717	0	0	4486	12223	0	1983	0	4971	5854	2409	0	5845	3463	3870	3727	3517	5064	3282	10236	7902	5741	2703	0	3024	4492	9972	4491	9851	1304	1499	0	2604	1606	0	1884	9131	16248	2680	6572	2330	8495	6151	4095	6812	4556	3599	10484	5794	6323	5466	24358	16035	0	5970	3890	3914	6013	3446	1752	1835	3085	5762	4819	1229	0	4525	6781	Phytochemical	0.3888889	0.7777778	0.11111111
20	C15 H18 O7 N2 S1	371.09076	371.09116	-0.018263515	371.09073	3781	4695	6085	3218	4811	1288	0	0	2406	9348	6758	4516	4963	0	0	3054	4014	4934	7026	3555	5010	14148	2789	3644	2306	4088	1765	4192	0	0	1455	4454	6586	6117	5936	2167	2350	1446	3620	10780	16008	2084	717	0	0	4486	12223	0	3952	0	4971	5854	2409	0	5845	3463	3870	3727	3517	5064	3282	10236	9528	5741	2703	0	3024	5761	9972	4491	9851	1304	3982	0	2604	4367	0	1884	9131	16248	2680	6572	2330	8495	7522	4095	8383	6017	4744	10484	5794	6323	7496	24358	16035	0	5970	3890	3914	6013	3446	1752	1835	4487	5762	4819	1229	0	4525	8191	Peptide	0.46666667	1.2	0.13333334
6	C16 H18 O10	371.09726	371.0979	-0.015728017	371.09726	22431	25216	22784	25550	34297	16494	9365	15130	44189	30617	36025	13542	64502	14645	10289	20757	15722	47827	42481	19619	35162	27997	22957	17923	3223	3040	9146	7135	8660	12731	10352	9577	18167	9725	36119	10616	16843	12566	18812	12634	19435	20723	0	0	256	11901	18088	0	10677	12384	20551	23145	26283	326	49120	47686	19758	17504	10585	17424	16044	13633	149524	47803	19247	43856	21913	24873	10584	7146	15957	9819	11070	8208	8089	10169	305	12063	15604	8680	17673	6692	4968	4431	49508	23786	18822	22213	23184	20254	5959	11825	18453	29233	18535	0	24473	23662	30547	60492	63442	19393	11178	16530	10508	16107	39205	0	7504	74676	Phytochemical	0.625	1.125	0.0
12	C16 H18 O10	371.09726	371.09778	-0.029898142	371.09726	200987	205394	197260	198015	268160	200893	76190	106881	466723	283184	239094	95975	528540	98595	107724	96878	100191	461309	425441	256898	324008	311779	153847	102256	40783	30786	71541	107275	92108	70891	89560	86563	165368	86948	416669	76869	153841	109965	86426	179350	253558	153252	4773	584	593	121162	160973	617	103172	91461	202987	194108	228871	678	672620	296878	135540	104734	122571	123222	134478	189076	671089	524048	105825	369520	157181	99628	142018	102636	161707	86779	79676	75632	82586	76373	286	107018	122078	140165	108984	97189	48458	48443	244807	136200	115087	129892	161993	99775	63668	160971	122294	259973	207639	1035	211924	197486	288134	240400	221278	157539	101921	111797	153613	105475	245677	579	50509	1411426	Phytochemical	0.625	1.125	0.0
10	C16 H18 O10	371.09726	371.0978	-0.015459178	371.09726	148833	137108	133999	120433	206307	119039	54784	75838	292279	248355	199438	77963	805388	80806	76348	88309	75481	301510	260723	179535	250464	209027	102573	69952	27228	19764	58742	78369	55047	62397	60070	63187	104877	68721	321179	65362	108224	74911	85366	113521	184777	109800	4350	0	552	77450	119371	0	75321	62397	140022	148117	138596	390	374060	232607	98822	83698	82465	90406	88945	109804	375974	368498	90476	249460	124573	94237	104619	59851	114416	64283	61921	47869	66099	60639	0	60423	102666	104497	87232	61752	35607	39309	218087	99599	88844	102978	121207	72210	46598	90187	89837	219649	184155	873	139303	146082	194521	230294	205611	108613	65363	83858	91963	79259	190301	0	34405	439291	Phytochemical	0.625	1.125	0.0
16	C16 H18 O10	371.09726	371.09772	-0.05968854	371.09726	88113	79845	89106	96046	114834	92250	37608	55085	195143	83877	69968	54104	256409	60267	64944	46848	45544	207889	187147	81674	108704	94076	73802	44641	26497	19596	27793	34055	44195	38445	56531	56913	79730	44486	127030	44024	89800	51982	45489	72015	82716	61633	3923	588	1147	55335	77927	1244	52418	52748	82768	84546	103576	493	235239	112825	67078	45329	63603	48332	43111	78344	248174	206556	55614	170264	86085	42544	80878	58069	70647	52589	48973	43282	41667	49192	700	54354	64137	58140	52741	54901	26021	24908	107860	58185	45277	59530	76923	44258	24001	73177	56438	79544	56276	1252	71655	77181	106244	88895	84396	75020	49496	35711	48334	57406	92195	779	26980	292365	Phytochemical	0.625	1.125	0.0
8	C16 H18 O10	371.09726	371.09784	-0.051839612	371.09726	72089	73148	53068	66941	95242	48958	24101	38473	141727	116113	111442	40137	364880	35107	33892	49196	44820	127513	138884	85838	117018	99007	58967	44381	10237	8588	22499	34281	30689	28197	30015	32257	47165	31972	134119	31573	54009	39407	54792	47423	176038	52718	1437	0	423	41326	64784	0	32796	33937	68747	67854	67675	279	160921	238302	55792	35430	32749	54819	40322	46138	427956	315334	54720	126155	57222	51539	33700	25849	49384	35829	32922	22060	34598	29457	0	33762	64613	47258	41553	24108	17990	16944	120227	52554	51868	55029	60420	45957	20357	41232	48892	103382	86653	0	72735	68293	109901	290376	139916	54777	35632	51927	32077	40232	106363	0	20171	393206	Phytochemical	0.625	1.125	0.0
14	C16 H18 O10	371.09726	371.09778	-0.032940328	371.09726	154451	160256	150680	170322	231814	184905	54745	84918	403081	183181	152702	81740	547059	114542	104455	72634	75787	410540	332821	167175	224732	222961	131856	94017	41782	32071	53484	71184	76494	77039	84517	81726	144096	77116	299587	80215	139060	93659	70670	142400	157505	121495	3398	700	706	98761	128608	740	77129	78908	129330	133510	191582	764	591774	246859	117308	109719	147061	84587	112301	153055	520134	492888	103419	292446	155633	79806	135342	88352	139776	84619	80161	72690	60604	77601	564	94641	102873	114884	95864	85922	43789	37808	193660	126397	90391	136602	143445	63456	66378	116797	106084	176210	122488	1451	164882	158151	206692	182940	165953	130284	85699	98870	88442	87003	156355	507	43939	528029	Phytochemical	0.625	1.125	0.0
14	C15 H18 O9 N2	371.10852	371.10898	-0.024209982	371.1085	12789	15947	14260	16248	12487	12837	6935	12757	15579	3572	6588	21663	21562	6574	13137	16720	23783	16468	26199	7998	12214	19833	16656	10360	7669	0	8640	0	12118	10649	12380	16966	19466	11659	11787	12470	22330	17540	22095	8052	10083	13481	0	0	0	5802	13844	0	16150	13960	13520	13269	13848	0	23600	7605	13212	17272	11061	9021	0	10802	17199	19865	9213	16341	12004	27909	0	0	0	11636	12795	11199	11755	12361	0	12085	14974	0	15207	4686	5225	3225	14003	8776	16708	19765	22471	33495	5496	14142	35217	11474	2930	0	12777	14678	9735	8831	13750	19861	17253	11515	0	22239	8143	0	8065	22674	Peptide	0.6	1.2	0.13333334
12	C15 H18 O9 N2	371.10852	371.109	-0.054278113	371.1085	21450	23298	26789	19675	24879	19519	16107	26057	34066	15436	17109	24747	37122	8054	27778	19687	37517	34893	38662	13044	18997	44170	32298	25165	9365	0	9568	0	23228	13822	25669	21560	36466	20029	22617	20855	30265	24852	41235	16319	28730	28896	0	0	0	17518	21743	0	25510	21924	26074	27264	22934	0	47062	15535	18367	23760	19912	24821	21616	22273	47794	39531	15566	31533	24793	46306	0	0	7100	25329	17134	19213	23343	14482	0	23644	24090	0	20706	13556	11397	5128	22502	16884	21333	29033	28221	41632	10996	22602	50098	24242	10325	0	27249	24123	19336	15139	17190	32251	26343	18337	0	35996	17674	0	14825	60876	Peptide	0.6	1.2	0.13333334
4	C15 H18 O9 N2	371.10852	371.1091	-0.22853845	371.10843	8676	9929	8026	7166	7104	4216	2897	9753	11700	3330	4475	6628	14873	3838	5052	9022	12570	11692	11110	4226	7309	11157	7641	7368	1752	399	3638	0	4938	5872	7322	7463	10993	4977	5797	6177	8823	5191	15541	3737	8782	7558	0	0	0	5285	7645	0	7452	7131	8806	7365	7742	0	10811	10284	5513	8401	4605	7966	9044	3708	18607	13286	8617	10740	5993	11802	1708	0	0	7408	6044	5781	3164	5943	0	5121	5462	0	4236	2550	2288	1736	10631	5536	4104	9362	8814	13935	0	3732	13421	4253	3719	0	7754	8426	8594	11995	10225	9523	5156	7149	4837	11464	7142	0	3293	23136	Peptide	0.6	1.2	0.13333334
18	C20 H18 O7	371.11252	371.11295	-0.08520678	371.1125	201031	186256	169822	168964	197295	123793	67987	99842	182555	511257	339799	61867	233408	131453	89334	114768	72105	221360	244559	413677	392112	248395	109402	124020	84051	566257	71809	265800	95354	65895	83532	78217	102546	79416	551071	75384	125357	87200	75845	288600	265296	100141	7108	1265	1832	203895	186958	2036	91540	77577	197816	195323	139175	1584	194199	153115	105072	110806	81628	76992	103539	210257	252697	155822	85771	202988	120251	81879	509070	663082	790796	84085	70458	62959	53980	83343	1545	68470	168148	191179	128436	173112	86090	216484	208880	127420	145278	102910	122761	99495	149638	163664	143644	218248	317878	3175	184454	172507	176605	159794	162192	99945	66066	117735	123107	97400	125809	1448	82837	215886	Phytochemical	0.35	0.9	0.0
22	C20 H18 O7	371.11252	371.1129	-0.119335756	371.1125	80432	79857	66819	69857	82024	56594	21237	29884	92378	172114	124155	17896	94479	58796	36639	31999	19248	100028	81478	151185	133566	115158	43622	40821	34701	210085	20790	104698	22847	19857	23579	23460	31617	25293	192468	21274	37066	23607	20804	103118	96160	29017	5224	0	1869	75346	91906	2864	30550	22566	73578	74849	57223	1971	85483	72208	42099	33992	31905	24113	29832	78865	116597	71116	37510	83494	48037	22641	179383	233638	274272	27225	19571	11893	10980	21921	1798	23653	65484	77636	51597	68246	25930	90750	99458	50001	53904	36234	42717	33332	50286	55271	47074	96853	125585	3276	61112	67158	73023	90419	89306	32998	20915	32114	58733	29766	66887	0	33805	111331	Phytochemical	0.35	0.9	0.0
12	C20 H18 O7	371.11252	371.11304	-0.11546605	371.1125	63261	76542	66257	72028	39561	28063	34978	50458	46218	121947	85948	36013	44432	23751	36862	56276	46734	43935	60017	107639	102264	68679	43593	55193	28856	132365	36718	55886	38456	34536	38330	39822	46298	31411	128938	39505	38074	37255	46852	80949	108455	27638	1916	0	720	66950	94711	925	50889	41421	70881	61567	35494	667	48385	38101	26074	54292	34814	51069	54132	63459	60003	39270	23979	42282	28615	45335	133606	149061	195443	41480	37625	34701	37701	42037	716	34419	58837	27941	52079	60761	41102	53894	46688	27851	60674	24414	31447	59321	47598	48885	54868	62729	75490	976	64653	63512	50221	43222	38790	41734	36448	54296	59080	38822	31275	676	33529	51555	Phytochemical	0.35	0.9	0.0
20	C20 H18 O7	371.11252	371.1129	-0.0883313	371.1125	144359	147849	139041	126434	143523	105360	48840	67226	174224	419192	246997	48202	201307	105289	69757	84182	41479	181478	199474	327861	314372	218389	82653	82737	71707	450521	44592	208040	58503	51921	52508	46363	81792	51863	450117	44794	84667	56668	50048	229555	209189	76301	7752	2349	2076	167162	176617	3183	61225	51723	143954	146459	113726	2027	148960	125531	82273	81779	70650	54784	70398	162761	203169	132574	74999	158595	92531	57813	413079	502149	553973	59860	48844	34908	39758	51241	1651	46801	105094	160499	95266	125283	67034	203798	167183	92027	106221	80407	81366	77973	123090	118957	117613	193450	225318	4272	137564	137704	141270	148386	137668	68535	45445	82798	117059	78030	124442	2209	67568	202279	Phytochemical	0.35	0.9	0.0
10	C20 H18 O7	371.11252	371.11304	-0.10230758	371.1125	27826	29868	25087	26476	18196	12522	18055	24180	20643	42159	34817	19043	16958	11078	15087	25128	21175	18530	22630	45884	45604	29366	21879	31325	11595	56484	16931	20412	17252	24306	20933	23635	21905	17795	59100	21902	20406	19570	27031	32759	43149	9314	1157	559	983	33078	43158	948	23035	21017	20820	29989	14094	359	22106	14327	10543	25901	22022	22831	23709	21898	20573	16618	11632	18799	13507	24514	68332	64789	84688	21404	21118	19421	15489	24935	698	15711	24514	15296	26353	27280	17606	23525	20193	11967	24257	12659	16090	23599	18137	21865	27342	28517	33408	1239	28159	23791	21094	18511	15113	19857	16474	21565	18661	17518	17001	538	17467	19928	Phytochemical	0.35	0.9	0.0
16	C20 H18 O7	371.11252	371.11298	-0.09201181	371.1125	157596	177856	148290	157152	145650	93984	68536	101190	164788	430792	279485	61704	181675	91040	82726	106844	68051	184063	192317	322228	341198	209009	101498	111225	81718	508272	70227	198952	71238	71655	75938	93862	104406	74983	467152	76088	100226	80734	78077	235454	229826	69952	4802	1109	1352	174214	199442	2123	89740	77845	167095	169743	117963	1527	133422	115259	84079	122453	93154	84709	115000	161231	176424	119896	68825	158285	97494	78776	427884	578301	619821	83146	75051	60587	69363	95179	1181	64360	140481	162966	111874	156663	78560	190005	162190	92825	126491	88311	92485	121311	128164	123748	148098	176392	236262	3155	158871	148934	131858	130117	131320	97974	63210	99946	115251	96963	113328	1501	90644	168707	Phytochemical	0.35	0.9	0.0
8	C20 H18 O7	371.11252	371.11307	-0.18059504	371.11246	12167	8801	9072	11885	8156	5206	6442	7066	8420	19225	10450	8707	4162	4043	6725	8427	8351	6769	7905	16726	21308	12970	8967	9767	3645	13842	4720	5096	6934	9077	7161	7427	6771	4918	23385	6507	8371	6390	9980	13309	18658	4349	994	433	544	9160	17370	636	8606	9512	10757	9447	4645	273	6724	5975	4035	8144	7410	11678	10140	8571	7689	7671	3071	7328	4548	10536	19354	18557	29629	9589	7631	7662	5378	9528	626	6131	11407	4279	10088	9574	9278	9968	7111	5100	9891	5966	7142	9905	0	0	7041	7293	14069	1082	10679	10189	10334	6592	7245	7944	7423	8241	9439	7636	5915	0	7045	7008	Phytochemical	0.35	0.9	0.0
26	C20 H18 O7	371.11252	371.11288	-0.15761729	371.11246	14665	16213	13500	12583	25159	11920	1951	0	22889	34984	19210	4799	34530	13384	7879	8445	0	25341	26903	27251	38892	32870	7826	8094	6237	33954	3647	17769	0	0	4001	7845	7212	2666	40081	0	8559	5890	5800	23469	24525	6339	0	0	0	12496	22619	0	4073	6075	15377	13578	13914	0	22136	18792	8252	7066	5041	5890	6465	14760	31072	25534	4921	20857	7902	6086	44890	50659	71413	4797	4117	0	0	2979	0	3927	14642	21842	13094	13022	4992	18069	28760	12049	12450	7901	7098	8501	6662	9707	8568	25583	36408	0	14214	12188	14330	25434	18887	8391	6300	6098	11603	5740	13268	0	7061	31656	Phytochemical	0.35	0.9	0.0
24	C20 H18 O7	371.11252	371.11288	-0.10778708	371.1125	30955	29991	26097	27041	44687	22319	9045	12992	39954	69583	40829	10631	62396	20162	15539	10672	6548	42991	39496	48652	51614	48543	17183	15096	11497	76043	4304	30206	7366	8111	10574	5411	12894	7891	80260	7565	15532	14028	9687	33024	47723	10848	3274	0	0	34222	41940	1933	9299	10169	28661	22310	23368	0	38771	40737	18586	12179	11074	9728	13322	30755	57991	26018	12565	45648	18127	9733	85582	106447	127970	7460	7186	4998	5502	6348	0	8571	26263	36121	23502	29403	8668	29965	53717	21774	25292	15145	18745	13524	11595	18840	20212	45872	53362	0	25361	29689	30706	36928	40559	12190	8313	13885	24962	10714	28320	0	13558	50478	Phytochemical	0.35	0.9	0.0
14	C20 H18 O7	371.11252	371.113	-0.08462681	371.1125	113999	120526	98190	105576	83824	61074	58856	68445	93027	223604	180468	56381	96074	57308	66499	91156	68559	93089	106772	206616	219044	144642	73157	77056	56413	287365	62182	145639	56774	62253	65768	74627	79342	59128	286734	56790	79090	65481	67976	141927	176687	52919	3332	1041	840	108680	155490	1230	65172	62043	111506	109687	65958	1139	81885	70404	54152	95912	65103	75027	105656	105648	114296	86471	49805	78784	54005	70576	305964	317205	385031	63240	56945	48073	53937	67928	710	55449	103989	97415	95306	116429	66008	109650	96008	56893	95307	54521	64555	104461	74945	78903	99788	134144	130291	1760	118515	97619	83787	84749	84555	63774	55025	93222	99169	72027	64644	954	60009	93646	Phytochemical	0.35	0.9	0.0
18	C17 H22 O7 S1	371.1159	371.11646	0.14915225	371.11597	24986	27290	22079	31086	24185	20881	9262	11041	42894	76240	33115	12224	31764	9354	10122	14936	14398	34463	27972	66028	62632	67125	23366	13612	12346	27359	8150	30404	8697	14356	12386	7388	30256	8682	91302	10731	12830	9612	11620	59407	31256	16626	780	0	320	28261	13610	0	14334	9107	23511	21411	17979	0	27613	18891	11002	12528	25015	16292	22348	48431	32528	18010	14832	44618	17102	8308	28341	44991	32009	9914	4691	6014	6866	6672	0	13936	21478	33716	5866	13909	21030	26486	19601	14724	10608	11160	16269	15628	68158	90641	53048	36864	83040	0	22087	27670	35050	19305	17141	11515	18430	25515	20027	16315	18380	0	7364	60856	Organosulfur	0.4117647	1.2941177	0.0
20	C17 H22 O7 S1	371.1159	371.1163	-0.043685775	371.11588	20061	16219	16265	20064	18070	14941	13220	8176	14194	69378	17861	4399	23782	8988	10734	7885	5239	20725	15901	52897	44461	44160	6972	8523	10504	16775	5671	18815	6247	5471	0	4825	9574	5707	66893	5203	10440	4831	6501	39223	18774	20210	500	0	0	19733	8378	0	7007	2852	19879	24487	12923	0	17879	13470	7080	25694	30085	10923	8925	30582	11300	12450	5780	25470	11382	5899	18674	32244	20166	5504	5898	5772	3998	3915	0	5703	7180	11270	6619	11008	15225	22027	9354	9864	10568	11598	10078	9900	45233	64578	16545	26315	38603	0	18911	20331	14387	10963	13971	9515	5887	23389	17083	9416	13527	0	9019	25696	Organosulfur	0.4117647	1.2941177	0.0
10	C19 H18 O6 N2	371.12375	371.1243	-0.003897527	371.12375	32857	30418	35359	23100	22376	15934	12734	18295	18813	72963	46825	11731	28244	16115	10999	25785	18235	19651	21378	54912	72594	43285	16642	22637	10987	71837	11572	31015	16045	9328	13985	16625	18144	14679	71016	15040	27598	12481	25597	60768	69295	14783	0	0	0	45159	49850	0	17817	17337	24768	28789	15920	0	19121	19155	11498	25628	8629	18685	16839	34353	23381	15924	8410	19492	13910	25702	78210	95040	128696	12936	12565	12822	17215	10024	594	9698	27012	40234	19170	24312	13412	32335	22485	10607	22378	19028	16081	37991	23681	22804	38266	48161	63273	0	22799	27099	17393	20489	21936	16220	9574	21480	19588	21181	10961	0	19897	30145	Phytochemical	0.31578946	0.94736844	0.10526316
16	C19 H18 O6 N2	371.12375	371.12427	0.02938617	371.12378	41438	38431	31005	44956	30902	26577	25538	29444	25427	75593	51024	18350	26509	18925	24156	32974	33773	41309	44297	67382	93235	76635	27697	40213	34981	72642	22795	82707	26239	29693	25959	25937	34884	29899	81936	27268	46056	25095	38558	89892	102826	22258	1109	0	0	59756	70864	0	33132	27144	40047	43398	27032	248	23805	12429	14145	39991	34338	32769	22259	44965	25091	19433	12856	33665	21520	38945	73003	111409	109568	20031	24308	12698	25948	22660	0	13305	41056	72384	20204	42664	32461	63936	19335	20975	41002	32702	25008	56204	80604	100540	37991	72926	89571	0	39545	40409	18683	22633	21992	34159	19082	34511	21169	27452	29547	0	29768	35369	Phytochemical	0.31578946	0.94736844	0.10526316
6	C19 H18 O6 N2	371.12375	371.12436	-0.09291933	371.12372	8105	11675	9896	11102	7373	5375	4371	6169	10363	26059	16875	3839	11692	4206	5159	6853	5416	9377	11121	21798	30381	16993	6607	7372	4248	21180	2397	13042	5699	3810	4994	5780	7264	4635	30743	4857	5582	5134	9836	17083	26546	3787	0	0	0	12477	28708	0	5012	4430	10099	10229	5925	0	9077	6798	3349	7509	2761	6385	7611	14978	15414	6586	2590	9081	8019	7218	27115	36517	56136	5052	3237	3821	3202	4754	0	3614	6158	12742	4720	8466	3765	11249	8351	4620	7230	5137	4171	14628	3769	10837	15181	18277	22511	0	11219	8733	5810	7988	9795	6814	3346	8241	7064	6047	7084	0	4830	12791	Phytochemical	0.31578946	0.94736844	0.10526316
18	C19 H18 O6 N2	371.12375	371.12418	-0.0660874	371.12375	21204	21959	20571	14270	12513	12600	9028	8761	11447	41154	35680	9012	16941	8945	9410	15304	18213	16394	16572	30252	36087	43346	13829	17005	15651	37443	9001	31506	12694	6612	10769	8048	20206	10849	33869	8163	23581	8627	22052	49915	62537	11169	614	0	0	31817	37966	0	13154	8579	18428	17027	15836	0	8419	10000	9327	17771	13216	14694	13932	25661	21924	9687	9834	15611	12697	20042	43587	53642	78035	9384	8167	4584	10500	9198	0	8696	17801	38677	16274	20811	12422	33809	13986	9223	21323	17715	10929	30539	28799	32076	35539	41770	49313	0	19733	18384	11562	12541	11259	15121	8452	14693	15964	20902	11893	0	17280	16975	Phytochemical	0.31578946	0.94736844	0.10526316
14	C17 H22 O9	371.13367	371.1342	-0.10266743	371.1336	1284938	1215664	567559	1276506	515781	1011176	355673	1115086	935681	1241260	543293	576186	2135796	295089	1013664	450777	306040	2131348	1868190	1157279	1114472	762947	1056496	507214	359865	395229	585514	514020	1098046	497183	450430	566322	756580	877698	1769911	1034272	661393	855518	581030	1718894	405177	879990	14882	2037	1651	532372	357823	2038	1019404	898432	1158698	1104014	1067114	2511	3037590	536836	680124	1044282	699634	288782	624861	1178452	981870	2022650	535574	1379040	972620	552568	485836	852137	539179	1011702	917300	1044610	629312	455195	1025	429924	909078	340835	410711	332169	344507	368609	489105	364764	782122	638360	933980	294398	473671	1252548	1113898	429111	570285	4986	1259176	678393	499159	424175	423173	1226426	726786	1233070	390794	831044	464329	1787	284976	1950604	Phytochemical	0.5294118	1.2941177	0.0
12	C17 H22 O9	371.13367	371.1341	-0.10510799	371.1336	415857	904808	878512	903196	326253	572432	609602	922336	1026440	1545374	971208	463460	949138	148779	700886	766318	609698	579812	622124	1567906	1483640	1178068	771972	792136	475686	292561	495856	396211	852896	336130	394031	739544	1007440	698064	2159608	704474	897528	659952	645944	1055628	420389	562578	8626	1645	1363	712518	342943	1041	763568	752160	446163	861494	657226	1852	1655278	675974	440818	804570	453191	310344	504728	802974	1226536	558024	172359	430867	599956	315014	436782	1124040	928980	701378	707272	707748	528884	678976	725	664540	723544	265890	709130	521582	591420	531616	684232	251043	676566	443278	599588	615036	283138	928072	767022	343277	393739	3836	957000	910496	719446	575698	556376	888040	553444	850598	277206	326696	658334	1236	462054	1301130	Phytochemical	0.5294118	1.2941177	0.0
8	C17 H22 O9	371.13367	371.1342	-0.13217708	371.1336	98375	202998	147954	205672	51057	94084	133016	200728	166350	120098	85952	136308	90448	55082	148422	106395	90587	175136	219920	255418	261732	217466	183700	239630	45364	38547	127892	114062	167226	185518	157998	191096	92726	161602	281052	185444	94175	146836	104466	89251	96691	122064	2044	508	730	175578	99486	0	207936	185474	97254	96862	55858	942	250958	136552	50068	92001	192330	169274	236240	69793	195854	188980	101990	137318	56298	190222	69651	128402	105807	82516	180492	179224	70452	180774	516	128648	101479	54785	178790	107428	128238	84484	148636	49264	157678	52774	124568	92512	61739	89785	102226	142082	159170	1289	96459	208946	129794	141966	157332	197494	66608	122754	55676	162244	74015	383	55612	192044	Phytochemical	0.5294118	1.2941177	0.0
16	C17 H22 O9	371.13367	371.13412	-0.076053925	371.13364	442433	479719	495582	477548	458079	467817	491190	407171	764292	900307	334275	227113	927520	261320	430501	317281	186066	984180	848168	880096	724651	557241	414211	365363	291870	244931	385910	272049	439452	349816	427702	419549	1108170	684008	1100365	408871	598989	617698	196166	675892	244020	323014	11889	2746	2642	363366	223686	2807	409862	355969	472502	453097	462589	2815	1293252	454326	276676	740560	511461	183882	411482	428962	819758	789090	201601	577720	412645	181703	297743	681595	356877	439267	407387	418430	213804	373675	1697	314230	318638	230117	280289	222938	261434	272249	361230	307583	281376	517494	380270	226331	389278	610170	485242	296914	449627	4478	475275	510856	375772	283510	294961	906420	252514	411514	194878	379552	367170	2879	476524	966705	Phytochemical	0.5294118	1.2941177	0.0
10	C17 H22 O9	371.13367	371.1342	-0.08726392	371.13364	468952	431188	435294	405344	304154	264580	295576	273224	436088	711650	414632	165231	477830	77091	357800	227680	337642	525898	530548	681834	645796	476352	403698	548694	231144	144264	297670	140755	417018	397256	369324	201775	518122	187637	823622	433416	268586	356296	197420	478226	441230	294704	6201	889	1136	405292	378262	631	469558	442452	444374	450684	291216	1327	697006	171613	218448	468794	459366	359792	274697	176986	479672	252321	203180	387510	301750	393704	209150	465708	217575	424046	380106	422898	342770	401266	721	161236	459450	121965	399004	270788	319298	223002	387938	232794	345362	249392	295024	337046	143915	403628	484768	342496	422610	3029	444768	482706	311684	309384	326996	220682	168057	523336	160762	356538	322262	549	123853	523310	Phytochemical	0.5294118	1.2941177	0.0
6	C17 H22 O9	371.13367	371.13422	-0.13602604	371.1336	26330	33511	54704	58942	33872	26398	41070	72170	27191	69898	28052	23307	55558	19176	27054	71402	68134	29738	62860	69840	37483	69018	52660	77044	23710	11203	33490	12445	29331	34113	27438	66274	65558	24902	68082	65120	33112	25116	65688	40416	61944	39568	1055	0	469	50842	77186	424	77252	64252	56270	29123	31658	572	36796	43962	16021	70128	52814	34943	69624	41186	31299	59942	15967	44228	22724	39715	23774	18175	28766	49238	61118	66300	32830	54330	467	46072	29597	12405	51244	36072	20177	10912	52134	34330	52674	17148	43796	25968	14524	43612	33523	41578	24672	599	58124	55564	19311	24595	31038	75122	43584	84564	25437	30856	23011	370	34002	64020	Phytochemical	0.5294118	1.2941177	0.0
22	C17 H22 O9	371.13367	371.1341	-0.03486061	371.13364	16134	21820	18144	20151	12467	16785	8375	22951	19572	27800	8317	16035	25937	9316	20047	18338	11354	33857	19756	22285	25172	15827	24881	16465	20865	13070	12137	6298	19848	17371	17961	19331	23891	21702	25977	17618	21727	19476	12259	23687	11158	10606	0	0	1650	18268	11952	0	16145	17835	18799	20618	17390	1311	39204	15591	13335	23277	14729	9379	22165	14662	27228	21607	12406	21852	13504	9739	8598	19707	13297	24880	17757	19992	14162	15598	1104	18006	18663	7460	16784	10643	14593	8669	18015	13951	15880	10680	15554	8815	14062	16234	17192	10037	14166	0	16177	16583	16391	14639	16499	22785	14073	16077	14850	16685	9979	0	15958	29794	Phytochemical	0.5294118	1.2941177	0.0
12	C16 H22 O8 N2	371.1449	371.1454	-0.15427768	371.14484	113285	120562	131593	119154	53286	70525	109169	179871	82951	93088	61171	91216	86000	27305	131990	136746	117320	130192	126355	120666	118908	170748	131382	148263	101025	9541	78999	41021	156390	128699	149394	148266	178005	129367	133316	148572	185989	122576	128289	113522	105864	76382	1453	0	0	110206	89874	0	151098	140140	114301	122431	79749	378	140146	42955	53489	152141	186438	79957	144693	87029	93382	90116	45355	90388	74124	126253	21581	42186	32880	137028	137216	138006	89545	122909	0	117343	87703	44828	90234	60204	91968	38398	52964	58825	91273	74036	100373	146938	108047	186184	232007	65738	68752	0	124166	125955	42954	34014	38010	168669	98207	132609	68386	159272	46652	0	81563	129215	Lipid	0.5	1.375	0.125
14	C16 H22 O8 N2	371.1449	371.14536	-0.10231587	371.14487	59174	58713	56592	55972	31211	42442	47266	86162	45264	51173	22223	46838	51738	18018	70687	63169	47941	65181	75994	51720	38596	80015	57073	66681	63223	8659	39308	22647	76514	60449	69410	74210	89259	64230	56714	73016	92840	54192	50501	55021	39258	43929	0	0	0	47989	30248	0	71923	65475	51218	52109	36139	0	70806	21753	29535	76611	90053	41306	92182	40152	41213	45813	23036	46423	54810	46506	0	23540	13700	70898	69193	72266	41565	66091	0	55738	40896	25027	39077	30210	38070	22767	24570	32622	50886	38641	55754	61987	64516	109821	109118	31773	30080	0	54047	58522	20619	14450	21732	76010	52202	79780	20910	77933	25924	0	44115	57401	Lipid	0.5	1.375	0.125
24	C21 H22 O6	371.14893	371.14926	-0.10221268	371.14886	101476	113347	102168	108416	118416	81034	33435	94610	106335	215524	173944	43168	152806	73191	77711	75361	60243	135329	142414	219360	248132	118274	68807	86917	60224	347655	34710	161058	59402	102656	75143	63518	69984	64125	248255	55802	85606	62854	57166	153824	170356	58600	9006	4134	5237	116849	115796	4644	71763	159523	102300	109907	91878	0	110606	104547	55380	78817	57660	45485	100944	119808	128874	97357	40654	139466	84238	64719	312402	397829	433729	68383	57179	51472	33102	67019	0	51647	95591	85003	82369	79984	51487	132623	126720	63201	89017	68315	75575	70773	70236	91243	103701	105586	136100	5095	111054	109378	85967	109015	120613	63364	45472	76740	79439	74163	91999	3352	66092	145568	Phytochemical	0.2857143	1.0476191	0.0
18	C21 H22 O6	371.14893	371.14932	-0.10329518	371.14886	452221	490595	441748	405935	379687	263659	223294	391119	310618	744702	582755	236528	419023	251693	284586	372603	261939	362984	462474	867899	844746	419719	322684	401420	247808	1518648	226323	505142	321683	306457	320595	334726	368805	338652	761362	297529	370096	263556	286647	627234	621716	251799	12337	3272	2903	370366	370303	3829	347894	326808	435139	423908	297119	3689	343247	287686	218291	382568	252110	255985	335879	396810	423998	292241	185965	401240	281332	302122	1206988	1561582	1901966	317681	261599	269134	246515	336518	2218	227875	415458	295493	367758	323876	252280	463586	381160	259689	373632	259099	280770	386389	388019	385269	462069	315546	448851	6741	437549	403827	319870	321404	318109	340601	242820	358426	218045	299421	255209	3569	289395	404859	Phytochemical	0.2857143	1.0476191	0.0
26	C21 H22 O6	371.14893	371.14932	-0.14151165	371.14886	46332	35780	35810	36194	45525	24892	10531	25489	39031	62306	45823	19238	61481	23780	23084	25899	19531	45424	51221	68401	75049	47716	32401	34938	19044	103627	12109	48752	18521	18083	22707	17194	30209	23375	69720	20739	24635	15426	18841	48203	70691	20486	0	0	0	36138	37226	0	27640	24141	35954	35104	34537	0	33245	39550	21400	27295	17624	13703	28669	33271	52274	31662	17970	50787	36150	22714	115604	126222	162449	22597	20170	18556	14752	21492	0	19346	33037	31001	28577	27004	17126	46153	50781	21666	35517	25483	23375	23117	28649	22267	40091	37520	44019	0	38096	35857	30780	55346	49657	26079	16596	25331	25491	23726	30019	0	23464	48944	Phytochemical	0.2857143	1.0476191	0.0
22	C21 H22 O6	371.14893	371.1493	-0.07859883	371.1489	278167	300548	269934	269653	276158	201299	99825	201945	258058	604680	448848	111622	292288	201989	172797	204870	133680	336717	280661	627466	603735	327914	190682	226326	169338	1003580	95523	429155	176171	156862	161415	169694	206847	170481	644503	159125	239255	157442	143293	450728	398570	164667	13808	5780	4588	282380	275539	7373	185988	203126	270006	283882	223103	5683	252884	222411	145557	194443	158017	128545	204580	322328	304895	214569	121484	308920	212233	143529	863934	1206273	1189656	182737	130535	127165	94105	155531	3250	131733	238782	207254	200089	208809	140954	324992	277965	165563	241720	162596	182878	194099	239100	252451	265083	258962	340190	7663	245921	275838	215366	259606	225998	191641	126271	220885	186182	201671	198673	5928	156772	354827	Phytochemical	0.2857143	1.0476191	0.0
20	C21 H22 O6	371.14893	371.14932	-0.085093625	371.1489	459632	509364	436583	388103	444289	281912	184131	323676	388028	928354	646488	201061	474089	297729	276759	333953	231136	438441	503354	1025255	977196	502197	291127	387485	249942	1672661	184617	615115	279177	253582	264694	267720	345068	286850	1001432	252696	376445	227198	231425	678720	664292	268663	16839	6634	3103	422459	429535	6679	308163	273369	446664	470498	306139	5589	336257	308116	218407	344913	260205	236979	330218	460181	464308	318831	194651	427883	301463	252688	1368590	1848853	2124721	300256	264460	242572	205099	279038	3088	219092	371917	343167	308126	277823	255440	551278	406714	253426	353143	277055	285034	346802	405460	372296	455651	385423	449685	8988	448287	450797	330496	361473	350278	316436	211809	358098	284775	316630	316421	6238	259183	519147	Phytochemical	0.2857143	1.0476191	0.0
12	C20 H22 O5 N2	371.16016	371.16064	-0.11118975	371.1601	22662	26325	26578	24007	13707	12288	17300	20564	11745	53373	39812	15823	10914	9732	15693	17450	24186	12184	14702	75800	70188	38076	18871	28058	17929	78516	17923	42434	24708	13685	19273	19977	31932	20248	65032	17130	22003	16914	34086	52344	60866	13868	0	0	0	37941	53048	0	24687	20686	23255	20266	13029	0	9306	9603	8725	27572	11942	20088	17551	36017	8519	9922	10107	11245	14217	35191	49717	93046	106834	19391	17638	14850	18949	17607	0	14669	19389	34499	20465	20401	15005	44614	11350	7080	25441	16892	15238	65349	46532	32598	45094	44116	43350	0	22135	26128	6524	10111	11198	23540	13227	27446	0	24477	11358	0	23735	14854	Phytochemical	0.25	1.1	0.1
4	C20 H22 O5 N2	371.16016	371.16074	-0.23112425	371.16006	5866	6499	5036	6275	2700	3069	3317	6372	2379	10421	5493	3735	3894	3685	4596	6706	6893	3290	4896	12723	14344	7307	4418	7429	3890	19341	2362	6524	5165	3791	3862	3772	6095	3977	13690	4460	6147	2602	7153	8799	11982	3446	0	0	0	7355	9797	0	5990	5585	5819	4812	3459	0	4372	3173	1946	5781	679	3590	6097	6780	2937	3299	2020	4135	3130	5803	15341	18671	21362	4275	4409	5341	3086	4608	0	3912	4883	8254	4793	3784	3075	7633	2166	2615	5442	3175	3180	9682	6304	4638	9976	7551	12512	0	5491	6296	2817	4502	3755	6008	2336	9583	5928	5704	2552	0	4062	2377	Phytochemical	0.25	1.1	0.1
18	C20 H22 O5 N2	371.16016	371.16058	0.055691566	371.16016	71529	67635	60777	71085	43536	32052	53073	33909	38788	92823	91956	33918	33981	40950	48892	87487	53100	34095	44592	91794	121926	109233	62472	79998	44917	132138	47308	93792	67476	48081	44793	41286	65917	56901	105086	40737	54513	37928	77151	133299	164157	38718	1380	0	0	88989	96996	0	69795	41382	51423	70137	41154	0	33490	28677	25737	65964	38667	85290	79047	81351	41551	31909	23208	33783	51659	82326	121902	167424	203457	52056	54817	40551	52406	39060	0	36034	78057	115947	44901	69056	45726	73962	27756	26475	70461	53301	56081	153264	102965	100182	168498	67959	137379	0	73494	64362	20151	17445	18054	77745	40968	78402	51051	67614	21236	0	62903	48788	Phytochemical	0.25	1.1	0.1
10	C18 H26 O8	371.17004	371.1706	-0.21115531	371.16995	61000	61238	55506	56165	32937	28891	55992	88274	41699	53998	33159	52234	92140	21784	63872	160680	63845	42864	111104	71486	58119	55919	129304	87841	102082	33373	57349	28131	70873	162270	65750	77183	81007	57719	110548	160304	81639	57406	73467	39854	37482	37507	1974	548	657	136610	100194	0	80859	77988	60985	63863	32182	1096	64768	42799	29233	152076	74771	53669	86562	56278	44868	44338	53640	92944	42217	80210	39697	39244	32455	64583	67129	81610	124294	139308	0	51658	126676	36279	64839	40745	65513	22505	48135	34831	128060	52350	72280	66609	41777	58910	170754	69088	53576	1516	120482	150402	29919	43607	91754	68674	85742	80221	34955	118796	38863	723	53606	48748	Lipid	0.44444445	1.4444444	0.0
22	C18 H26 O8	371.17004	371.17044	-0.11330928	371.17	45356	45387	43651	36395	46746	47526	27598	56478	56214	71759	22030	30105	57490	22357	49661	43050	15223	82041	56281	64443	52812	45346	48156	49482	42672	11233	23216	26549	68583	48843	51578	50863	63728	47940	68599	47535	67718	39340	24520	47364	18239	29379	3243	0	1465	32192	19562	0	50516	41539	44292	44082	41207	1594	90779	39206	27025	46661	47266	12605	47601	30022	71160	62087	24247	52226	41541	19152	22930	52558	27401	47398	46054	57308	20613	45546	1288	40516	38486	13377	29737	17719	34559	24741	38217	26593	34566	21866	42495	26945	47583	60016	52059	22014	39664	0	45822	39383	33689	33606	30417	49633	27265	45457	22761	40728	46535	0	31113	91776	Lipid	0.44444445	1.4444444	0.0
4	C17 H26 O7 N2	371.18127	371.1819	-0.17038	371.1812	35705	34769	38429	36197	94558	82293	12436	32463	21955	21026	7969	12726	51786	371092	24287	29495	19338	46459	36073	27002	23197	42718	22409	33767	24029	3188	11885	6393	63672	22130	27776	78499	36286	49311	36512	94309	36914	18157	24671	20779	11530	16935	0	0	0	23878	15592	0	48012	25059	39592	30196	23882	0	37685	13464	10019	41170	26694	12341	33718	10539	41116	23673	7942	29151	20038	19451	3075	10494	5322	22037	67611	45601	8570	28519	0	20077	18113	9937	14632	10007	15672	7313	15776	13842	20088	30350	89110	28791	36806	53177	60216	13205	20143	0	34841	39381	12454	15110	15751	33897	17956	39883	11367	28930	15373	0	17689	71382	Lipid	0.4117647	1.5294118	0.11764706
26	C26 H26 S1	371.1828	371.183	0.17428279	371.18286	0	0	0	2803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23731	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2823	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	209222	0	0	0	0	0	0	0	0	0	0	0	0	0	4293	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.0	0.0
24	C22 H26 O5	371.1853	371.18567	-0.09946136	371.18527	383132	395783	381440	374840	369569	265946	162310	309883	297741	626752	588407	190001	426294	243170	240714	331101	294929	419663	513235	841613	797280	396906	267490	379530	247492	1306588	158542	610154	294786	290299	263280	306336	370892	308706	770952	317111	421595	197258	289700	579911	560721	246274	20397	4344	8032	330033	313273	6097	342127	265900	383569	373591	289490	9460	329141	273847	188883	343049	262891	194691	351801	393163	337749	258276	152487	405540	336366	273019	1142612	1251200	1353019	336242	282325	261774	239620	285150	7102	219541	304923	272309	245857	240021	234258	410943	329996	212196	327080	249191	293898	327282	350047	352029	453436	334324	410162	8568	391373	375455	249401	289866	300151	375382	184845	396211	237117	337084	256017	7016	232386	359541	Phytochemical	0.22727273	1.1818181	0.0
22	C22 H26 O5	371.1853	371.18567	-0.11271475	371.18527	686223	723304	621138	671869	626844	445434	334686	601021	540981	1009654	884838	364897	518176	422539	447227	660186	532233	670199	645979	1225628	1289879	667980	468197	653058	455272	2231798	339397	826247	575563	531004	488560	560751	670306	548869	1091471	563063	683325	406515	539571	926772	943714	421939	22679	5787	3488	572389	567342	7891	601620	527497	659350	657921	527613	5550	520210	447393	363856	655107	440624	419996	636015	582290	563315	440326	300983	600688	511552	540381	1845035	2269257	2594839	554916	475135	476980	420976	538985	2985	404008	575510	447691	476335	399757	417190	666171	570073	393192	602937	482118	480348	634941	630490	652149	762052	531150	706283	7811	584203	663928	426596	540166	477248	701352	401811	686588	397015	569875	459615	4158	478629	625527	Phytochemical	0.22727273	1.1818181	0.0
10	C22 H26 O5	371.1853	371.18576	-0.2113939	371.1852	11675	11927	7972	13361	5551	6365	13261	13940	7301	7960	6109	10862	4115	7061	8928	16754	14992	5695	8317	10268	13878	9426	10680	14199	12031	10655	17560	0	9380	14974	12868	11958	14338	7442	8068	13651	9945	13304	18522	8184	12794	6351	2744	1126	2049	11157	9713	1866	10550	12966	10328	14208	5804	1134	6187	8167	7314	17595	11388	14339	11273	6625	3854	5822	4305	6873	5548	19649	10502	8868	13872	9583	10389	15674	15567	16478	1650	7768	16825	7183	16046	11516	10051	7383	8320	5343	13196	4728	5355	20961	8096	10311	13833	8040	11468	1818	12001	12721	7386	9889	8065	11290	10018	13948	0	8662	6243	1525	14679	4508	Phytochemical	0.22727273	1.1818181	0.0
26	C22 H26 O5	371.1853	371.18567	-0.10733512	371.18527	114662	94707	98134	98913	103505	73666	51883	110783	94243	145618	147556	61420	138859	70764	81662	108317	80419	123962	152707	202717	196662	118488	77276	120076	90323	305439	46191	156352	93981	111645	92883	87480	113652	80353	189583	112919	127760	61879	73658	137214	138321	80313	9320	5627	0	100705	84175	5630	89176	84362	105922	96436	92035	0	108150	99170	65337	106270	78627	60374	114036	98163	104002	76354	43372	116706	112824	90043	273270	267978	322315	84278	74608	94799	84898	91350	0	60241	95399	75631	74530	72513	72266	111963	114647	78346	108026	83635	77961	90381	93471	94211	149765	90357	112397	7493	105434	117394	73107	110157	104918	130538	60589	117009	73861	86627	87209	5145	66271	107296	Phytochemical	0.22727273	1.1818181	0.0
8	C15 H30 O10	371.19116	371.19257	-0.2625054	371.19107	3209	3356	3713	2299	0	2193	2679	4746	1257	0	5552	4698	1567	0	3307	5365	3468	0	1627	1171	1886	3488	3389	4821	3693	0	1814	6910	3396	3527	3103	5406	5091	5300	1602	4366	4855	3063	5579	0	2268	1681	0	0	0	0	0	0	5128	3757	3726	4560	1698	0	2494	626	0	6624	5573	1550	4092	3475	0	0	0	2641	0	5244	0	0	0	4115	5856	4182	3345	4619	0	4732	3172	10780	2539	1008	1538	0	0	0	3147	1133	2716	7373	21511	7305	6941	0	0	0	2998	3504	0	0	0	3950	3396	3215	158277	4327	0	0	4996	1521	Unclassified	0.6666667	2.0	0.0
4	C16 H26 O6 N4	371.1925	371.19302	-0.26068908	371.1924	3417	4209	3743	3987	4333	3185	3392	4599	9181	0	0	2835	7079	1302	6011	6539	3963	5667	4260	1280	1133	4196	4750	6384	6060	0	1699	5086	4649	3745	3875	3527	5897	2846	1692	4441	5689	4436	6991	0	0	3273	0	0	0	3191	0	0	3931	3889	3976	4694	3450	0	7268	2335	2517	6890	0	1448	4802	0	3198	4771	2241	4947	2149	5008	0	0	0	2607	3383	3235	1976	1890	0	3603	5050	14982	3317	984	2266	560	4709	4000	5458	2040	2697	8478	27893	12615	9834	2509	2226	0	4194	5756	2999	2247	2077	5425	2379	3535	0	5141	4846	0	4401	6342	Peptide	0.375	1.625	0.25
6	C16 H26 O6 N4	371.1925	371.193	-0.27634856	371.1924	4665	5707	3994	4780	3864	4051	4198	5672	3192	0	2211	2819	4236	1615	8884	7947	3813	3672	4454	1872	1482	5593	4650	6212	7517	0	3221	9295	6534	4515	5945	7201	8750	8009	3836	4558	6580	7690	4464	0	1428	2384	0	0	0	2429	0	0	4928	3719	6031	5426	4082	0	2506	1422	2080	11549	1785	1404	7751	0	2576	0	1899	4462	2802	5618	0	0	0	4514	4590	4665	1949	4007	0	4490	2809	17050	3323	561	2653	0	2003	3711	8607	3183	4563	11764	30818	12712	18184	2015	1519	0	6714	4161	2178	1847	1205	7058	3491	2424	0	8539	2761	0	5314	3795	Peptide	0.375	1.625	0.25
26	C13 H30 O6 N4 S1	371.1959	371.1965	-0.10680194	371.19583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16234	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8228	0	0	0	0	0	0	0	14163	0	7198	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29355	0	13036	4177	0	0	0	0	0	0	0	0	0	0	0	5390	0	0	0	0	0	27420	0	0	0	Peptide	0.46153846	2.3076923	0.30769232
8	C21 H26 O4 N2	371.19653	371.197	-0.24140379	371.19644	7824	8038	9770	9601	2802	9233	5688	11595	1278	15254	10674	6493	1235	6832	5542	11326	8224	2776	5103	21980	18497	8029	4877	15036	7544	14228	6788	11743	9077	12045	9608	8929	12289	9005	17921	7684	10382	5018	9786	14951	5997	5193	0	0	0	6004	8649	0	11439	11698	8134	9895	4077	0	1087	2338	3110	9625	0	1891	7238	4530	0	1017	2321	2156	5019	14371	8400	17184	15814	9877	9017	9573	9466	11604	0	7419	6472	14157	5983	753	1363	9342	1465	0	6893	5861	4021	19560	13253	0	21653	8397	17108	0	8967	9955	1559	1288	2000	10563	5718	9528	0	10342	0	0	7568	1146	Phytochemical	0.1904762	1.2380953	0.0952381
6	C21 H26 O4 N2	371.19653	371.19705	-0.20256811	371.19647	12768	12010	11424	11184	731	2851	4221	9984	1277	14116	7206	4309	0	1616	5996	24895	7757	1911	2141	13664	13635	11329	5912	15827	5547	12832	4894	8099	8162	9256	9524	11099	9395	7803	12224	6965	8238	4674	8304	8719	7711	3561	0	0	0	8590	8929	0	9519	8875	10307	12466	2195	0	1170	925	1732	18995	0	1210	17765	4736	938	0	1493	1200	2721	9814	6423	16290	14441	8155	9424	7692	7853	7707	0	6013	6051	7764	6185	1529	889	5944	0	1277	4557	3390	3309	168414	12580	4106	71854	8008	15479	0	9255	9247	994	617	488	8062	4783	6592	0	34857	468	0	7360	731	Phytochemical	0.1904762	1.2380953	0.0952381
20	C21 H26 O4 N2	371.19653	371.197	0.1297046	371.1966	19140	10012	12028	13762	7786	4736	6198	9894	8058	10402	17430	5240	0	7102	8564	16512	13818	7292	8812	21448	15456	20316	7784	24054	11266	27526	7324	18388	9590	15324	11319	11128	15238	13842	17818	15116	18608	10626	20856	29340	37698	5006	0	0	0	19376	18366	0	20356	13346	11892	14366	9252	0	4814	4720	0	17768	8924	16320	17552	14020	2040	6998	3820	5696	6836	18344	20032	22340	38676	15410	12798	10794	12100	9804	0	5610	10292	13170	6752	10878	10748	15042	7464	7210	9222	11388	8506	20920	35384	26460	32172	8640	16720	0	10550	16592	6282	8440	3590	15834	6866	14128	10550	19042	4564	0	10754	8802	Phytochemical	0.1904762	1.2380953	0.0952381
10	C21 H26 O4 N2	371.19653	371.19702	-0.12267541	371.1965	10561	7180	10318	8081	8048	8772	4482	13489	2610	15784	14125	4502	2709	6817	7596	14555	9522	2545	3693	20532	23424	5253	5440	14385	9769	17486	5873	14423	10942	10491	10929	14503	15567	12154	15931	12382	11606	3768	11298	17958	10639	5791	0	0	0	9520	10501	0	14069	12099	9671	7633	7938	0	1808	1135	2039	7407	0	0	14517	4156	0	1766	1820	2228	5878	17197	17238	24388	25098	11150	9564	7831	7073	8854	0	6541	4839	13191	4600	1105	0	10534	1934	1430	6021	5357	4921	15132	18301	4112	15547	11580	19685	0	7812	9163	1476	1952	2554	12216	5324	8895	0	12610	1596	0	7528	1487	Phytochemical	0.1904762	1.2380953	0.0952381
12	C19 H30 O7	371.20642	371.20685	-0.23963548	371.20633	9022	8997	9259	12640	1670	4511	13075	7087	2467	1979	3330	6250	3647	2387	5819	14821	12925	2211	3665	3009	0	5355	3615	10827	7600	3283	12196	0	13342	14714	8357	13400	10394	6940	2112	14336	8981	6634	13885	2565	0	5465	448	0	0	3506	0	0	12124	11914	12176	12946	4040	0	5800	4420	4380	11414	5871	0	0	0	3470	2361	3498	2129	6018	14197	0	0	0	9109	11855	19197	23611	12397	0	5386	9298	0	3576	1924	13811	5113	4271	4325	11299	2586	5671	17868	9497	4696	10200	4067	6207	0	13232	12140	2213	5431	8169	8542	4196	5982	0	7003	5618	0	8494	2740	Lipid	0.36842105	1.5789474	0.0
16	C22 H30 O1 N2 S1	371.21515	371.21545	-0.44650877	371.215	1628	0	0	1441	4441	5768	0	0	0	0	0	1504	0	63585	2064	0	0	0	0	0	0	0	0	1521	0	0	3287	2883	0	0	1993	0	0	0	0	0	0	1437	0	2211	0	6872	15524	13754	7914	1118	0	14925	0	0	1512	1433	1543	7610	0	0	0	0	10052	64778	0	1109	0	2044	3815	4777	21329	0	2471	0	2088	0	1884	0	0	0	7616	1755	0	0	0	1458	0	1465	0	2985	0	2366	1587	0	0	0	0	0	0	15251	3069	4337	1093	0	0	0	1352	144687	9637	0	1110	15973	0	0	Organosulfur	0.045454547	1.3636364	0.09090909
18	C18 H30 O6 N2	371.21765	371.21796	-0.11437436	371.21762	3025	1715	4402	1842	1424	0	0	0	1272	0	0	2101	1865	1367	1703	6224	2176	0	0	0	0	2210	2726	2988	3551	0	1673	0	0	2101	0	2263	5852	0	0	3553	3992	0	2146	0	0	1560	0	0	0	1236	0	0	4625	3195	2304	0	1434	0	0	0	0	6008	0	1016	2728	0	0	0	0	0	1801	2482	0	0	0	0	2829	1609	2947	0	0	1652	0	1493	1453	0	1650	0	0	0	5246	1327	1664	12866	28443	10193	5224	0	0	0	0	2618	0	0	0	5180	1319	2478	0	3093	0	0	4481	0	Lipid	0.33333334	1.6666666	0.11111111
8	C18 H30 O6 N2	371.21765	371.21814	-0.19887574	371.2176	6080	5653	6558	9085	3987	4872	4550	10666	2440	4137	1224	5430	4088	1288	12126	16856	7202	5252	7315	7191	1876	9108	7151	11276	11560	0	4752	0	11282	7060	11365	10792	14321	10205	6193	10364	12796	4202	8261	1931	1966	3602	0	0	0	8595	1769	0	13914	8524	7076	7233	3725	0	4088	1320	2647	17850	1053	0	16316	996	2563	2800	1535	3838	5649	4651	0	1808	0	7285	6715	6872	6076	7481	0	5343	5691	7497	3088	1427	1369	0	876	0	7673	5442	5372	12944	23813	16699	15365	2139	3928	0	7912	5951	1014	1028	0	9409	3357	8135	0	11221	0	0	6809	4570	Lipid	0.33333334	1.6666666	0.11111111
6	C18 H30 O6 N2	371.21765	371.21817	-0.25439888	371.21756	7907	6405	8301	7669	4809	4529	5820	10708	5400	4153	1178	4341	4122	2660	6684	11580	4290	5898	10046	4104	4403	7764	5849	13347	10781	0	3761	4177	7743	7312	9544	11077	11653	9364	6260	10157	12845	5048	6165	2696	1394	3174	0	0	0	4668	1488	0	14099	6484	7946	8066	4218	0	5217	1431	2127	17206	1954	896	13789	1459	4232	2628	1483	5604	5200	7531	0	1553	0	7734	7829	8074	3252	8188	0	6245	5250	0	2684	1725	2777	855	1943	3266	7960	5148	4580	15127	20062	17469	19665	2705	3937	0	8177	8158	1711	1332	2637	12373	3781	9132	0	10647	3132	0	7129	6855	Lipid	0.33333334	1.6666666	0.11111111
16	C21 H31 O4 Na1	371.21927	371.2199	-0.81327856	371.21896	4089	3033	1724	3904	0	0	3304	0	0	8350	1625	1756	0	0	3291	4543	2542	1747	2538	0	0	2071	1316	4013	3061	0	2455	0	4273	2275	1963	0	4187	1797	0	3104	5294	2638	5852	0	0	1220	448	0	0	0	0	0	4232	2853	2019	2357	0	0	0	0	1061	9786	22544	0	0	2339	1732	0	0	2990	0	3803	0	0	0	3513	2330	5638	3436	1280	0	1108	2676	0	0	0	1824	0	0	1233	3171	2580	1638	0	14950	6663	0	1485	0	0	2781	2564	0	0	0	5929	1605	10953	31043	0	0	0	3837	1895	Lipid	0.1904762	1.4761904	0.0
14	C23 H30 O4	371.22168	371.22208	-0.18359216	371.22162	10452	8540	6455	7876	4900	1793	9226	6389	2903	2732	3519	5240	3022	2967	4743	9498	13119	2157	2320	0	3178	5597	5086	5618	7367	5298	9881	0	4946	7547	3950	6481	3317	4886	0	4937	6228	8780	15268	3317	3680	1409	0	0	324	0	0	468	8993	5381	7311	8406	3367	312	4538	4852	6499	11068	0	7326	0	1556	2771	0	3264	2910	3407	18122	0	3048	4959	1763	4270	5965	11450	8758	0	2981	12698	0	11171	4408	7941	2820	10462	5807	14478	1953	3340	24792	6301	5650	9245	3889	2529	566	5228	7689	4176	11903	9076	9398	6535	6400	0	5124	5845	554	7533	2528	Phytochemical	0.17391305	1.3043479	0.0
26	C23 H30 O4	371.22168	371.22208	-0.12742984	371.22165	256793	237640	239448	231172	239816	143003	140223	240332	196996	250739	382877	131421	230963	184219	188029	264887	195000	241817	365836	412660	383251	278048	156032	247112	230547	785282	142233	412941	278691	263060	237965	258532	307017	207925	362511	311317	300507	166640	196361	297271	302848	191026	9139	0	0	213080	185010	0	244416	204058	249055	242037	209274	0	239766	240097	160710	281096	211922	130417	254126	201886	172206	165778	175238	241711	261964	236942	662955	550940	624041	193353	199918	267958	169678	239771	0	170461	209208	416286	156917	187828	226636	267759	247596	172449	275434	173645	194352	198822	235291	266203	306099	345168	286092	0	254073	269612	171486	266177	287720	340551	139123	290433	193141	217744	206421	0	196579	176682	Phytochemical	0.17391305	1.3043479	0.0
20	C23 H30 O4	371.22168	371.22205	-0.1612529	371.22162	210233	219124	191828	202218	191549	108885	184212	185608	179235	192784	200334	141625	157814	150098	163591	256596	335622	142250	229218	226052	228511	166534	138952	188073	151483	445274	204262	194000	183549	195960	143786	196412	228491	145475	224030	207141	192145	163392	358023	155296	218907	149651	5952	1748	660	115846	155407	2052	194394	165324	211278	206204	178159	1252	173667	230127	151588	232471	122616	188789	184779	102170	156872	147320	120970	165343	144216	352475	305149	324472	474931	112463	140973	186890	289971	191011	495	128779	244854	167641	172208	104058	181078	159042	265136	165591	280984	158224	159109	333957	207927	206546	240143	147311	167772	1867	203783	198622	166216	283207	294750	250520	141200	189885	93624	187237	199868	1368	191819	156157	Phytochemical	0.17391305	1.3043479	0.0
28	C20 H34 O4 S1	371.22507	371.22543	-0.13681777	371.225	16249	11340	14994	11643	0	0	0	72624	0	3683	0	30887	0	0	215058	38890	2880	0	2648	4236	4880	0	367709	6398	0	0	0	2310	19561	108208	35223	24648	36097	8660	5852	59557	18869	60788	1511	0	1564	9118	0	0	0	0	0	0	66720	69083	12829	13158	3648	0	0	0	1551	80030	1262	0	64651	0	0	0	0	2041	8114	0	0	0	0	27444	31763	200687	2656	50015	0	39961	7187	0	0	0	0	0	0	0	37014	1742	2465	1877	8074	5132	5644	0	0	0	16642	17579	0	0	0	46288	25128	0	0	31201	0	0	1555	0	Organosulfur	0.2	1.7	0.0
14	C16 H34 O9	371.22757	371.2281	0.00445784	371.22757	11450	3908	7748	8520	0	0	17181	3357	0	2572	20282	3269	0	0	1297	0	4565	0	0	3051	0	11102	1292	0	0	0	17139	64872	1450	0	0	0	0	0	0	1461	0	2894	1996	2324	26401	1170	3470	1763	2514	2333	12898	2410	0	0	7236	6869	0	3422	0	873	2396	4798	26124	65131	131063	8395	2337	0	0	1952	0	0	82792	3721	4069	1957	0	1534	0	0	2408	1639	0	79476	0	1665	3244	0	0	0	0	0	0	13790	4312	4401	0	8985	0	2023	6145	5566	2154	0	0	3358	1952	7197	29660	0	1235	1913	1205	0	Lipid	0.5625	2.125	0.0
12	C16 H34 O9	371.22757	371.22803	-0.09868889	371.2275	29154	36155	33882	28222	1277	1651	28264	10916	0	12277	35058	5231	2547	1850	2376	20762	9277	1568	0	6710	1563	60454	2940	21719	1448	2664	25894	156822	3445	6205	0	10000	2510	3482	2572	3509	2449	2854	2986	15920	43042	1650	6559	2922	3849	19005	37719	2374	10299	21761	34903	50578	2283	6027	2706	1746	2125	22173	26492	97629	874593	18358	5764	0	1077	0	0	0	317023	12278	15252	9275	1947	4881	8644	5227	3558	2194	0	219305	1003	2092	1190	1067	1419	1816	0	3990	1259	23198	15387	11234	3988	17453	39860	3694	38671	29425	18763	1506	1850	19240	1719	42009	97255	0	1857	2584	0	1323	Lipid	0.5625	2.125	0.0
16	C16 H34 O9	371.22757	371.22778	-0.22053227	371.22748	0	0	0	2211	0	0	0	0	1720	0	4518	0	0	1371	0	0	0	0	0	0	0	2768	0	0	0	0	3990	17837	0	0	0	0	0	0	0	0	0	2195	0	0	4461	0	4001	3839	4610	1204	0	4363	0	0	0	3951	1218	4209	0	0	1854	0	15366	15370	24836	2398	3024	1253	1279	0	0	0	14774	2072	1821	0	0	0	0	1567	3781	0	0	24213	1074	1988	13506	1997	0	1295	0	0	1208	0	5248	0	0	0	0	3841	0	0	1947	0	0	0	0	6386	14386	0	0	4131	0	0	Lipid	0.5625	2.125	0.0
8	C17 H30 O5 N4	371.22888	371.2293	-0.13306493	371.22885	2830	2521	1009	1426	0	3040	1085	1847	0	0	0	869	888	0	1290	1173	0	0	0	0	0	0	0	1231	979	0	1080	10188	0	2717	2898	3891	3100	2754	0	3274	2534	882	854	0	0	0	0	0	0	0	0	0	1280	1015	1916	1061	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1014	0	0	0	1911	3682	3332	1018	4074	0	870	0	34234	0	0	0	0	0	0	1370	0	0	1629	88225	28855	0	3785	1107	0	1326	1349	0	0	0	2727	1369	0	0	0	0	0	0	0	Peptide	0.29411766	1.7647059	0.23529412
4	C17 H30 O5 N4	371.22888	371.22955	-0.1598577	371.22885	4268	5094	5275	3597	546	3682	639	881	416	0	2118	533	605	0	1358	2692	995	4682	521	0	0	1725	1156	2381	1929	0	1179	28002	1767	906	0	0	1637	742	0	1057	889	991	2322	0	0	931	0	0	0	0	0	0	0	0	4064	4258	447	0	815	368	0	2236	0	0	1411	0	632	0	0	869	0	1918	0	0	0	545	618	745	1039	519	0	848	1225	390848	809	0	0	0	413	0	2336	877	0	3388	327907	146818	1908	18342	2857	0	4546	6195	949	0	517	1650	532	0	0	1870	447	0	1010	598	Peptide	0.29411766	1.7647059	0.23529412
2	C17 H30 O5 N4	371.22888	371.22946	-0.27220443	371.2288	5346	7029	5863	3886	586	0	2121	2079	765	619	4831	942	976	864	2559	1666	1898	1274	1098	0	0	1469	1853	3180	2241	0	0	56372	3973	1667	2658	3075	4032	2707	523	2827	4048	2055	2296	0	0	0	0	0	0	356	341	0	3150	1481	4938	3894	1192	0	1239	477	495	4351	0	0	1890	0	441	850	0	2086	1043	3178	0	218	0	2150	973	1330	484	1492	0	1598	1236	493830	1777	0	0	0	460	843	3431	1033	1146	6035	241096	110140	5857	30495	451	0	4255	4018	1354	548	980	1516	1621	698	0	2251	650	0	2240	1741	Peptide	0.29411766	1.7647059	0.23529412
6	C17 H30 O5 N4	371.22888	371.22934	-0.29752254	371.2288	7040	4914	7912	6509	0	3425	790	1231	0	0	3548	1194	0	352	1387	2311	1091	689	0	0	0	2311	1268	3039	1817	0	691	27692	3015	3411	2016	5340	4733	1898	0	3351	2419	1043	1723	0	0	843	0	0	0	0	0	0	3036	2464	7427	7597	464	0	760	0	0	3251	0	0	0	0	590	0	0	838	0	1637	0	0	0	3265	1719	3606	0	2100	0	1563	1100	147526	0	0	0	0	587	0	2366	0	666	4043	416867	154011	3793	15317	3253	0	6215	3930	0	0	0	1728	1580	0	0	1499	0	0	1541	760	Peptide	0.29411766	1.7647059	0.23529412
10	C20 H31 O3 N2 Na1	371.2305	371.23123	0.25025898	371.23062	5145610	4920466	4990812	4660987	532930	518994	2764519	4701566	649286	5591254	6348686	501993	1013712	860442	442925	3962663	1078893	572804	295154	4962476	1601995	6491228	344282	3485745	152798	427574	2636168	18948182	1486509	1426788	1486980	3643490	984416	1863850	1957288	1444190	755447	417872	1006622	9084148	4852116	862842	1580157	102498	167674	10134219	7442084	183701	3246879	2323081	5042288	5135776	407572	480070	619930	450078	1073695	4042012	8139120	8475308	61761562	6509438	2750984	1015100	314510	1061634	776594	1225578	39722632	8477142	8388676	2868639	1036586	836579	1314685	1171149	173690	279627	1475724	28785328	314678	625804	553148	320088	199302	384000	185998	815482	475591	2852748	8834978	3668544	1079529	3634298	5953291	191662	5251226	4644738	8308010	180592	446052	2029689	425486	12054812	45437512	518198	350324	173516	175998	1198536	Lipid	0.15	1.55	0.1
22	C20 H34 O6	371.24283	371.24313	-0.18139254	371.24274	10601	10301	11733	10218	3843	4706	97138	10304	2862	2482	4324	11658	4933	17863	3642	12561	26856	3814	4749	2851	2188	1888	2249	2912	5799	5752	87617	18109	13664	9204	8371	14059	18054	11691	1927	10357	19681	3752	31388	0	0	4490	2673	0	0	0	4756	0	14490	7902	7496	12772	5000	759	3778	4814	5112	13026	3077	6746	11804	0	6966	1900	25755	17090	22338	30405	0	1762	0	6950	5714	10497	13636	10334	0	6799	3369	28453	2762	4833	78522	56182	3735	6731	10518	4282	5355	11770	35631	27291	6891	6649	0	0	11235	13196	2681	6483	5272	19259	9120	11100	7658	10393	3205	0	5555	3579	Lipid	0.3	1.7	0.0
26	C20 H34 O6	371.24283	371.24313	-0.13395353	371.24277	9718	8246	10025	8043	9210	6099	36609	12582	5061	3532	9493	4745	8307	18554	9023	0	8979	12101	12290	0	0	4815	0	6983	9396	0	26421	47112	13524	9955	7644	11751	14912	10241	7087	13494	11526	7170	12073	2979	2172	7548	0	0	0	0	0	0	7684	0	8924	7912	7047	0	10122	0	7890	10797	18621	4934	10961	7200	7195	4325	12548	21494	26567	12973	0	0	0	6804	8811	10881	6285	8639	0	6235	5062	31512	2712	31595	18163	8655	5079	12451	8521	4640	8622	7688	36090	34925	10633	8034	0	0	8761	9110	4249	5502	9381	12296	3608	6790	61381	5958	7284	0	7047	5266	Lipid	0.3	1.7	0.0
14	C19 H34 O5 N2	371.25406	371.25433	-0.19853488	371.25397	0	5441	4341	1863	0	10271	0	7070	0	0	0	0	0	9593	6759	7889	0	0	0	0	0	0	2394	6762	2659	0	1462	0	21168	6699	4455	21251	12889	12485	0	18468	6757	2844	0	0	0	3789	0	0	0	0	0	0	11769	4547	3136	2503	7155	0	0	0	0	9496	0	0	0	0	0	0	883	1410	3911	0	0	0	0	2833	20523	23646	1929	16427	0	3510	0	0	1111	0	0	0	0	0	2482	2582	5596	0	0	0	4487	0	0	0	2506	4754	1324	0	0	11792	1550	0	0	3531	0	0	2000	0	Lipid	0.2631579	1.7894737	0.10526316
8	C19 H34 O5 N2	371.25406	371.25446	-0.14621837	371.254	3281	2892	2319	2197	0	0	1366	5915	0	0	0	2086	0	0	3498	15759	0	0	0	0	0	0	4696	55435	7303	0	1000	0	1114	1745	2938	1526	1112	2783	1288	2388	1546	2043	851	0	0	0	0	0	0	8359	0	0	4536	3680	2214	3628	0	0	0	0	0	18947	0	0	14237	0	0	0	0	0	0	2595	0	0	0	5329	3979	10653	2058	1437	0	3135	2999	0	5350	0	0	0	0	0	5483	769	0	4859	0	0	4781	0	0	0	2450	2758	0	0	0	1421	1455	0	0	2887	0	0	2112	0	Lipid	0.2631579	1.7894737	0.10526316
20	C24 H34 O3	371.25806	371.25848	-0.14436169	371.25803	9569	8204	10868	6318	5534	1899	17782	7325	3413	2565	4493	5200	2180	7769	7973	10349	40156	3621	11316	0	2611	0	3690	4623	7936	3073	19181	5631	7898	5033	4464	9273	9366	3528	3939	11360	6216	10362	35928	0	4917	7281	0	0	0	1756	5006	0	5057	6574	5432	6753	9479	0	4638	8727	6060	11855	2807	7405	8319	2087	3860	5432	7990	4610	7535	33055	2603	3489	7498	3262	6033	11058	30264	7543	0	4590	13315	3938	6355	2736	9131	0	14812	9087	24150	7575	9167	33423	9432	8169	6025	3716	2312	0	10054	9465	6450	14557	13772	17479	7222	5813	0	7803	13084	0	12232	3800	Lipid	0.125	1.4166666	0.0
10	C18 H34 O4 N4	371.2653	371.26572	-0.22378854	371.2652	0	0	0	0	0	0	0	0	1609	0	0	0	0	0	0	1415	0	0	0	0	0	0	0	0	0	0	0	0	34289	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1712	0	1170	0	0	0	0	0	0	675	922	2437	0	1566	0	0	0	0	15394	0	0	1875	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1519	20508	0	1646	0	0	0	0	0	0	0	0	0	0	4644	0	5612	0	0	0	0	0	5313	0	0	0	Peptide	0.22222222	1.8888888	0.22222222
24	C21 H38 O5	371.2792	371.27948	-0.23006295	371.2791	4121	3173	6873	5221	1008	1027	134005	0	0	0	1886	0	0	63127	0	1474	2141	0	0	0	0	0	0	0	0	8919	131822	11971	0	0	0	0	0	0	0	0	0	831	2589	0	3303	1783	0	0	0	0	2161	0	0	0	3866	4867	953	0	0	4122	6486	0	0	3690	3650	0	16066	0	64288	0	5154	1553	0	0	3545	869	0	1819	1641	0	0	0	0	17643	0	2532	34072	39242	5542	6424	1837	0	0	0	21203	14456	0	0	0	0	4387	3933	7244	4599	26236	0	1307	2854	2171	1206	9785	0	0	3408	Lipid	0.23809524	1.8095238	0.0
26	C21 H38 O5	371.2792	371.27942	-0.17185365	371.27914	4469	3812	5934	5087	0	0	144684	0	0	0	10712	0	0	48044	0	0	0	0	0	0	0	0	0	0	0	6836	114379	42809	0	0	0	0	0	0	1766	0	0	3006	2457	0	3206	0	0	0	0	0	0	0	0	0	3202	6308	0	0	0	0	4521	0	2596	5690	0	0	9829	0	38394	5064	6943	2130	0	0	4199	0	0	0	0	2186	0	0	0	32272	0	7929	22099	22472	6692	0	2210	0	0	2272	22345	19168	0	3253	0	0	5929	0	10575	3473	30599	0	0	0	10877	0	12711	0	0	0	Lipid	0.23809524	1.8095238	0.0
28	C25 H38 O2	371.29446	371.2948	-0.16658738	371.2944	6748	7134	6413	6412	3332	2200	25615	16056	3596	0	7486	5718	0	8159	6999	9324	13638	0	3981	0	0	3722	5471	4744	16473	5804	28965	19760	24261	18940	10467	21850	8209	6973	2367	29403	3751	10816	12478	1578	2079	5908	0	0	0	2979	0	0	12694	16930	7272	7806	6439	0	3289	5502	4619	16670	4622	3420	9669	2133	2447	2497	5677	4218	11324	18140	4553	896	2128	1810	5114	15436	16430	11569	0	6365	19266	11963	7730	4926	5694	4632	7239	6630	78903	4412	7995	74711	8782	7717	8792	5324	2774	0	6060	7946	4774	11661	19285	16273	6058	8210	4801	8337	11152	0	15028	1031	Lipid	0.08	1.52	0.0
22	C25 H38 O2	371.29446	371.2947	-0.21114317	371.29437	0	1357	0	0	0	0	1900	2905	0	0	0	0	0	0	0	2597	10108	0	0	0	0	0	0	0	2258	0	2488	0	0	3305	1672	0	0	0	0	0	0	1787	10881	0	0	0	0	0	0	0	0	0	3180	1407	2272	1852	0	0	0	0	0	2105	0	1143	1606	0	0	0	1510	0	1948	14572	0	0	0	0	0	1410	11227	2120	0	0	1228	0	0	0	0	0	0	1134	10776	0	1102	48815	0	0	0	0	0	0	1554	1289	0	0	0	0	0	0	0	0	0	0	3072	0	Lipid	0.08	1.52	0.0
26	C25 H38 O2	371.29446	371.29477	-0.20724788	371.29437	19741	22097	19661	17691	3119	0	39607	22680	2756	0	10828	13487	0	6012	16716	37720	49275	0	6161	0	0	4267	10923	11445	23980	9165	42560	13816	34074	46468	18132	30184	12995	13446	1888	47826	12067	15564	53807	0	5964	9627	0	0	0	0	0	0	33170	31664	19870	17341	14346	0	0	6002	10900	38058	3383	10645	29209	3051	2322	2964	10027	6095	17779	66370	6064	2169	3212	4868	8653	25353	74213	32386	0	8825	31693	22584	16086	12875	12010	6330	6520	9094	151469	4463	12970	351029	19941	12943	23002	6273	0	0	19363	19729	4730	10464	9908	28590	12339	11284	7934	13388	6437	0	38778	2169	Lipid	0.08	1.52	0.0
24	C25 H38 O2	371.29446	371.2947	-0.17633666	371.2944	6903	8693	7362	8468	0	0	15700	12730	1967	1212	4114	4536	0	1652	4390	12092	37199	0	0	0	0	1340	1859	1876	10300	0	15424	3871	13833	22131	8008	11804	4091	4082	0	10125	4228	8015	33118	0	2011	3090	0	0	0	0	2242	0	14935	16278	5904	10807	6781	0	0	2068	3676	13359	0	2673	9580	0	0	0	4910	2160	6983	44115	0	0	0	1323	3504	8438	45621	9536	0	1507	16533	5900	6113	3134	2304	1831	2467	3332	51154	1498	7400	195518	4642	4716	6436	1155	0	0	6031	6888	1480	2309	2063	10564	4253	2581	0	4587	0	0	16425	0	Lipid	0.08	1.52	0.0
24	C18 H13 O8 N1	372.07138	372.07175	-0.15535	372.07135	3111	4143	2383	4178	1821	3336	1725	1591	5601	8865	4025	1661	6936	1867	3294	3173	2153	9429	8115	0	8000	18926	3480	3123	1998	1495	1252	0	1362	1323	1509	989	3186	0	11200	0	3583	1268	3127	4592	13785	1980	0	0	0	3720	11908	0	1779	1866	3900	4644	2486	0	7994	2973	3089	3348	1672	2514	1859	6676	6962	7789	1992	4946	3227	2472	1300	2144	4308	2037	0	0	0	0	0	1737	3887	10870	3718	4612	1502	2730	3655	3773	5678	4718	3054	6869	3451	3520	4461	18722	23387	0	3746	4047	3461	3177	2923	1658	2193	2651	4366	2269	3680	0	1777	7953	Phytochemical	0.44444445	0.7222222	0.055555556
28	C18 H13 O8 N1	372.07138	372.07172	-0.11485512	372.07135	5308	3527	5297	3539	5121	3705	1712	0	4951	14408	6149	1477	5184	2530	0	3351	4803	9361	7742	3239	6702	16524	3766	4734	3738	0	1132	2991	0	0	2813	1173	4078	1461	12171	0	3791	2622	3433	5543	13231	2605	0	0	0	3158	7224	0	1823	0	6002	3902	5307	0	6627	2786	2601	3157	2758	4410	2238	6093	8380	5517	3986	6925	4337	3133	2241	2759	4121	1452	0	0	2261	2033	0	1792	5363	13529	5133	3131	4806	2156	4467	2538	5119	5224	4466	6374	4978	7940	6039	17243	21728	0	6475	5091	2085	1987	2311	2948	1278	4221	0	4020	2529	0	2801	10464	Phytochemical	0.44444445	0.7222222	0.055555556
16	C18 H13 O8 N1	372.07138	372.07184	-0.045587283	372.07138	16252	16549	11454	13584	21262	10855	4456	4405	24245	45945	20788	4383	34836	8567	4755	8329	6434	27705	26023	19052	23666	42853	10006	10509	4032	12127	4003	10802	5311	2101	4927	3870	8798	3397	45211	3058	12140	4965	6176	23942	46245	9874	776	0	0	14395	22105	380	4632	5556	18652	13867	14166	0	23610	18351	9030	10693	5262	9723	6519	21769	37731	20474	7274	23925	11634	7853	19845	15938	32696	6543	2776	0	6168	2382	315	4049	18946	44096	9668	13076	4417	11004	21654	12183	21469	12586	11969	30403	10570	13928	0	57883	59266	0	15835	12643	17838	25401	20756	8190	3519	7778	8973	0	16954	387	8338	39262	Phytochemical	0.44444445	0.7222222	0.055555556
20	C18 H13 O8 N1	372.07138	372.07178	-0.1488752	372.07135	10953	10736	10780	10466	18277	9288	2683	2454	20555	25801	9572	5662	15727	6258	4341	8858	6413	16436	19127	4262	20237	39111	9388	5926	5322	6439	3329	6917	3215	3746	3181	2057	6158	3178	23484	3175	8442	4403	9262	16785	32688	10761	1018	0	418	8206	27500	770	3364	4415	15459	6968	11416	560	16911	15669	8334	12073	4379	8723	4672	13142	23987	16651	5249	18997	10378	10415	7210	5063	17931	3424	1845	1361	2403	4755	324	4652	18093	40157	9756	9145	2982	10178	14140	9148	12830	10660	13848	11996	9277	11075	14390	50222	45911	927	8042	8434	11627	20860	13936	7351	3856	6146	7065	10113	14334	0	8341	25732	Phytochemical	0.44444445	0.7222222	0.055555556
14	C18 H13 O8 N1	372.07138	372.07187	-0.036593765	372.07138	11560	11091	9265	16548	19434	11241	3414	2546	17853	42672	19328	2984	31326	7140	4556	4525	5419	19273	21187	16925	27841	37641	8253	5832	3200	11364	3516	7146	1559	1805	2344	0	4481	2138	47531	1499	6245	4685	4374	20594	35808	7547	0	0	0	10527	16077	0	2910	1675	17820	11258	14106	0	22166	13553	8306	4826	5902	6256	0	15332	34681	20604	6879	22386	7377	8604	19024	15175	35724	1772	1500	0	4602	1826	0	3116	13268	39503	8241	12397	4039	8009	21049	9207	9021	8979	8648	17092	7687	9422	13719	53968	44403	0	12524	14840	15163	19330	19320	4756	3443	3008	0	5771	13128	0	5315	31044	Phytochemical	0.44444445	0.7222222	0.055555556
26	C18 H13 O8 N1	372.07138	372.07162	-0.15626286	372.07132	3014	3182	3879	2503	4845	5250	0	0	5875	12922	5508	0	0	1807	0	0	0	9352	8020	0	9229	17252	0	0	0	0	1555	0	0	0	0	0	2113	0	10170	0	2636	0	2763	9631	14059	0	0	0	0	0	12482	0	0	0	3821	4029	4449	0	7380	0	0	2349	0	5059	0	6704	7777	7183	0	7085	0	3111	0	1731	3267	0	0	0	0	0	0	0	5568	12888	5991	4140	2441	0	0	0	3750	2835	3806	6345	1774	6074	6212	21976	31362	0	3811	0	3149	3111	0	0	0	0	0	2333	0	0	2657	9617	Phytochemical	0.44444445	0.7222222	0.055555556
22	C18 H13 O8 N1	372.07138	372.0718	-0.11356073	372.07135	7991	8084	7290	5805	7542	4365	2114	3018	7665	14480	4396	2433	11994	0	2859	4232	5866	13522	9842	3262	11492	26344	5892	5771	2810	0	3263	2292	2589	1246	1086	0	3757	1586	12061	2207	7550	3988	4665	6824	14844	6464	0	0	397	9801	13835	0	0	0	5876	6925	8136	544	12080	6924	3764	5379	2693	4393	3150	8703	16505	11374	5832	7530	8309	2714	2017	0	4627	2191	0	1619	2964	0	276	1389	8409	26947	9426	7312	2979	5001	5498	5840	9477	5847	5724	8538	3605	6562	8073	27866	29558	0	7918	5169	7431	10590	8817	3968	2805	3937	5022	6863	6410	0	4048	16459	Phytochemical	0.44444445	0.7222222	0.055555556
12	C18 H13 O8 N1	372.07138	372.07196	0.008251313	372.0714	8046	3750	6847	7616	11750	3455	0	2280	15645	22021	15128	2362	20043	3162	1495	2556	2729	13893	17093	9175	16735	20858	4238	0	0	8986	3530	0	1396	1080	0	0	5548	0	29218	0	3558	3317	3991	10698	25893	4683	300	0	0	6075	12579	0	0	1222	4198	5637	7729	0	16383	11997	5321	3254	4989	0	0	11394	22897	15651	4947	16842	6070	3918	0	11192	28314	1272	0	0	1574	898	0	1324	8875	0	5005	7625	1345	5542	11721	5512	7267	6199	5341	6611	0	4588	6367	19448	20666	0	6002	9703	12756	14314	13407	4355	1938	3367	0	5061	10912	0	3513	25705	Phytochemical	0.44444445	0.7222222	0.055555556
18	C18 H13 O8 N1	372.07138	372.07184	-0.05789368	372.07138	14734	11962	12760	8654	18040	13623	5183	3874	15675	37620	21613	3070	25353	5248	5163	8253	8544	24279	26109	12036	26425	50787	8652	10470	3655	9333	6580	7778	3185	2290	4219	5965	12456	5195	33382	3774	12794	3944	10709	27134	41819	8923	968	0	305	12617	28590	529	6341	3558	13577	10075	11047	391	16088	13748	8861	8435	2754	8923	6985	17078	31616	22890	9719	22603	7445	5377	17393	18907	27839	4909	3011	0	5579	0	418	3042	13622	40583	11508	11591	6128	13726	15846	7713	10641	14999	13288	21388	12229	14141	16381	49164	58252	0	19050	9630	13348	20155	13712	13987	2932	4806	10390	8411	9361	0	5733	36075	Phytochemical	0.44444445	0.7222222	0.055555556
14	C15 H17 O8 N1 S1	372.07477	372.07523	-0.061872944	372.07474	10397	8809	4568	8183	10281	9333	1834	1336	7902	16977	13402	1686	21695	2844	2897	3048	0	16087	12307	11752	10017	28666	4291	7545	3131	4165	1138	0	2931	1587	3047	0	5715	1468	20265	1553	4328	2538	3882	19835	24341	8289	0	0	0	6993	7071	0	2388	2659	7359	9860	5007	0	8800	6078	2065	8029	0	8317	0	17463	8374	5021	2326	10367	6556	2202	0	13158	8981	1715	1675	1937	2946	2605	0	1711	5184	0	3060	7294	4258	9730	6819	2930	4189	5328	7942	7719	14160	16377	7768	24665	23231	0	7307	4386	5490	6467	3943	2410	2276	5457	0	6000	7770	0	3509	12474	Organosulfur	0.53333336	1.1333333	0.06666667
10	C15 H17 O8 N1 S1	372.07477	372.0753	-0.007089876	372.07477	5000	4419	2482	2464	6555	2654	0	1554	5382	10288	9652	2123	8857	0	1409	3594	2410	7180	8376	7839	14519	16281	2054	3644	1571	4167	1420	0	1898	0	0	1415	3059	1882	15084	0	3143	1725	5180	15721	23541	2297	0	0	0	3232	6873	0	2255	0	4555	4778	4400	0	7513	3958	1130	4025	3400	8039	0	9658	8491	4310	675	4751	3326	3349	0	5865	10468	1864	0	1089	2214	1851	0	1041	4107	0	1934	3192	2832	3120	5015	1197	2609	1955	4231	5129	5595	11084	6567	20864	16579	0	4261	5476	3163	5963	4048	1508	1300	7512	0	2981	5169	0	1175	11297	Organosulfur	0.53333336	1.1333333	0.06666667
12	C15 H17 O8 N1 S1	372.07477	372.07532	0.039114684	372.07477	3663	4565	6029	6740	5438	4702	2145	0	7622	25309	8674	2387	9195	2723	1948	4613	3876	11256	11785	9624	12994	28904	2161	2682	1788	3683	0	0	5050	1011	2274	1931	6936	0	23388	1844	3016	2153	3846	18763	20398	3383	0	0	0	8568	15159	0	2834	0	3745	7955	5861	0	11086	6135	3063	7225	0	0	0	21119	8159	7752	2627	11474	4531	4619	17316	6930	10055	2215	2431	2501	0	1986	0	2022	3691	0	2285	5902	5425	8213	7781	2797	4615	4876	5244	7711	7946	21646	7237	18150	28403	0	6663	8931	6094	8026	6208	3332	1699	5928	0	5830	4593	0	2748	14300	Organosulfur	0.53333336	1.1333333	0.06666667
16	C15 H17 O10 N1	372.09253	372.093	-0.016935239	372.09253	11889	13909	10683	11247	26656	21826	5098	5005	33755	5962	7111	11952	54632	15214	11543	11403	9870	34528	38788	7505	11740	16426	17189	7844	1968	0	2960	0	6546	5560	6428	4155	7901	6159	5752	5818	8079	12069	7664	5984	11253	19387	925	368	563	5754	17404	628	3736	6288	13781	10042	27440	0	36783	33102	13390	3904	7069	7599	0	14043	46526	36900	15667	24461	17815	9506	15562	0	4906	8178	7130	6268	5275	4158	0	6336	10560	12758	7010	5909	1481	2367	37952	13522	6872	16384	16820	0	3927	3909	0	13242	6142	446	10483	13830	18730	20846	35655	12606	10792	4461	10648	13137	30342	408	1582	49134	Phytochemical	0.6666667	1.1333333	0.06666667
18	C15 H17 O10 N1	372.09253	372.09302	-8.56227E-4	372.09253	7689	4895	4462	4431	13480	10326	1256	3694	10883	0	2127	5432	28067	8129	7324	3743	3704	19684	18733	0	0	3759	8271	1442	1854	0	0	1883	0	2896	0	0	4764	0	2822	2737	3395	3297	3022	4291	6610	8653	889	0	306	5994	5088	603	2449	5160	4985	6948	10532	435	16035	11330	6105	2930	1861	3806	0	5578	22313	16721	5911	10993	8775	3149	4962	0	5243	1771	1719	1453	4024	0	435	3290	4938	5285	3323	3033	1552	1500	15416	8089	3315	7740	3447	3741	0	3874	2874	2735	3700	490	3495	7773	8803	11358	11863	4074	4456	2974	3618	3532	11529	419	0	22242	Phytochemical	0.6666667	1.1333333	0.06666667
8	C15 H17 O10 N1	372.09253	372.09308	-0.080721326	372.0925	33633	32433	23414	33874	44117	21435	8296	12807	55976	34250	45219	24142	98258	12981	14502	20385	30625	62648	67262	37990	63648	43717	23673	19494	3963	1085	8718	7735	11788	11068	13721	15002	23937	14084	56255	11882	25323	13633	23646	28623	64876	33138	466	0	0	14029	34306	0	14232	16165	32844	30231	33590	0	81718	67535	28094	13601	15693	26565	14345	27361	108051	89673	29080	55261	28270	28431	13439	3682	12464	12351	17377	10065	18766	12350	0	14939	17044	17945	13200	10487	6297	4892	61572	22591	15429	32318	34694	24284	0	14379	23291	44284	28699	0	26937	35098	52406	66911	69854	33814	17797	21832	23273	19540	46685	0	5833	100185	Phytochemical	0.6666667	1.1333333	0.06666667
6	C15 H17 O10 N1	372.09253	372.09314	-0.08166336	372.0925	10389	14705	11266	12732	18889	7217	3190	7299	23771	13936	14120	9079	45919	5688	4587	7415	11750	27195	25434	12952	24523	18656	10413	9513	1076	694	3539	0	4786	6473	5154	5654	12865	4677	16047	8182	7945	5766	13628	8264	17827	13694	0	0	0	4341	8976	0	6961	5927	9405	10622	12955	0	30134	30521	12334	5949	2668	10272	9782	9691	46985	39413	11065	22691	15641	14129	3636	1968	4259	6363	5659	5958	5858	4243	0	4667	6366	4948	3418	3425	2121	1258	26869	10856	5417	18354	15584	11253	0	5390	8548	14419	12178	0	12817	13643	16103	29053	30164	9297	6472	8204	0	7939	23237	0	2644	52176	Phytochemical	0.6666667	1.1333333	0.06666667
10	C15 H17 O10 N1	372.09253	372.09305	-0.05680544	372.0925	48847	41888	42858	44913	68156	42167	12428	25940	79322	43931	56357	37266	142273	21695	22094	28524	35245	99079	99187	49097	103384	55739	35691	24886	4145	2888	15815	12565	15008	21565	17943	19313	37472	24239	57881	23444	38977	19417	28670	42293	75941	48444	1474	0	0	22507	49323	0	22525	23893	43753	42655	48740	0	128019	94045	33088	22271	20885	36033	25190	51601	136652	129389	37888	89587	47529	37271	25758	11969	22794	21449	20863	16026	28661	19205	0	21925	25218	28888	16635	15778	6423	7087	90887	32843	23469	42839	47810	33340	11355	25504	40646	71307	46580	0	39517	45821	66946	77665	80199	45376	26950	24256	27012	29113	63513	0	10700	139524	Phytochemical	0.6666667	1.1333333	0.06666667
12	C15 H17 O10 N1	372.09253	372.09305	-0.051403373	372.0925	33699	29360	45451	36753	67976	37236	13620	27685	81609	29147	43792	33485	117760	22256	24039	18883	44192	103565	108051	35861	69041	49847	45727	25454	6757	0	7212	0	18786	13954	21425	20576	41017	17811	40661	17096	29581	25916	31585	38313	81880	51468	1219	0	283	24582	49430	406	19759	22982	36018	30833	54385	341	131966	95953	33642	21079	21349	30844	21829	44782	134626	112207	31155	84931	41608	39318	25571	7834	21761	20774	16770	14872	25395	14930	0	26693	23436	34224	23738	15628	9414	4766	88052	29584	21299	39056	37149	33788	7232	25724	32251	57922	29289	402	31590	44392	71037	66370	75466	33330	25522	16255	23822	28840	64783	0	8744	152953	Phytochemical	0.6666667	1.1333333	0.06666667
18	C19 H17 O7 N1	372.1078	372.1082	-0.1009213	372.10773	63381	47100	53145	51429	40614	27231	15811	13326	36996	185833	121854	10967	55315	24383	12150	26035	17689	49270	60023	101849	128717	132298	19803	26513	17902	126323	12907	90651	10386	10477	11706	10835	27249	9926	214742	7548	32046	16336	21658	125883	136097	27487	2301	315	0	74529	91462	759	18435	9156	47418	50581	33060	497	45395	36645	23366	27467	16922	21987	27713	80489	58402	40005	20378	51172	33069	18238	139924	175035	232503	13372	8558	6285	15378	12959	0	8788	31417	118200	22150	62412	24985	79380	45761	28191	36102	27574	33751	45885	54619	66968	45837	133459	179325	640	49992	48137	33007	34551	40342	23172	11058	26518	43687	25989	26158	381	19943	56889	Phytochemical	0.36842105	0.8947368	0.05263158
6	C19 H17 O7 N1	372.1078	372.10837	-0.10477721	372.10773	6212	7282	5618	6413	7403	2899	1010	2242	11614	23221	16401	2111	11884	2914	2883	4739	2711	6031	10775	12690	24647	12888	3417	3887	1962	13718	1607	10170	2109	1336	1802	2208	4453	1627	29773	1384	4302	2124	5007	7430	20115	3818	0	0	0	7479	17901	0	2261	1165	7388	6887	5199	0	9318	7456	3242	2596	1254	4353	3644	9786	15966	7715	3296	9803	3851	3331	25348	20373	39850	1660	920	1686	1142	1914	0	1771	5076	6044	4741	7029	1486	4537	9634	4206	3575	3398	4317	6543	0	5572	4722	15889	16239	0	6616	5520	6772	11590	8819	3088	2012	4629	0	2275	6003	0	1732	12228	Phytochemical	0.36842105	0.8947368	0.05263158
20	C19 H17 O7 N1	372.1078	372.10815	-0.14640656	372.10773	40158	30675	32267	31626	26289	17244	10085	8822	28620	116503	77245	7476	34844	16217	12102	13184	11041	30293	31868	63150	92291	82003	11959	16505	12105	67986	7993	60027	6818	6048	5887	6203	16845	5566	132914	6806	16759	6448	14249	81875	101715	18112	1609	657	0	56973	77974	918	5974	6383	28849	32542	18738	418	30782	19148	13539	14208	13392	13448	13572	50195	45834	22563	8603	27987	21625	11661	77785	98370	125386	6929	6443	2584	7828	6406	331	6644	20803	85259	15668	40249	13423	62190	25726	17530	18141	19738	17025	25225	26674	38923	22919	95800	93150	0	36142	29186	22622	27507	25820	17304	5054	17311	38061	15580	17658	0	11041	42666	Phytochemical	0.36842105	0.8947368	0.05263158
22	C19 H17 O7 N1	372.1078	372.1082	-0.0818798	372.10776	16208	20095	18440	14209	11442	9403	2918	4283	13034	58226	38199	4452	8205	7192	4770	5045	7650	16203	13383	24528	38785	51966	8623	6830	4605	27004	2257	24926	5514	2046	6337	0	6614	3205	68873	1795	7446	5092	5543	41073	50745	6718	0	0	0	24657	48438	0	6143	4550	17926	16308	11586	459	10674	8830	6255	3596	7522	5545	6516	30528	16979	12534	4783	15786	9590	4734	34462	47508	64170	3736	2613	0	3021	2084	0	3349	9214	38309	6677	28222	4538	27146	16213	6243	7053	7189	7531	10184	9139	14934	8675	51634	61930	0	11367	12154	10066	7492	9160	6291	4129	7890	27568	6517	9383	0	7141	18638	Phytochemical	0.36842105	0.8947368	0.05263158
8	C19 H17 O7 N1	372.1078	372.10834	-0.08403238	372.10776	18120	19663	12926	18528	15487	7843	3984	6208	19786	52561	33246	3450	22673	6015	5213	6719	7118	13373	20966	39515	49709	27554	7920	8703	4560	31515	5583	21256	4483	3514	6177	3626	10029	3943	62113	4292	5861	7090	8420	30905	43490	6790	0	0	0	17630	28606	0	5816	3783	19088	21864	9184	0	18943	15627	7115	6168	3965	7265	11243	19038	23949	17568	5092	19464	7120	8189	58205	54263	97318	4839	2878	2388	4770	3407	0	4551	11562	21752	7537	13619	4803	15294	16575	4975	11396	7730	7833	16707	0	9344	12008	33739	34824	0	16138	14242	17124	19660	13638	7144	3853	6738	17219	7181	11105	0	5360	19804	Phytochemical	0.36842105	0.8947368	0.05263158
16	C19 H17 O7 N1	372.1078	372.10822	-0.069870554	372.10776	62608	68406	54264	63426	49889	31058	19748	22887	58738	213131	126552	18080	67530	25982	19348	35476	23853	68144	74901	126331	168302	146784	27064	26892	21161	162922	19756	104319	17842	14486	17869	17281	31545	12083	253283	15760	35450	21119	20142	131882	154061	29236	1999	0	408	80701	107345	500	20589	18358	55650	67277	42244	750	52652	41443	23758	36052	18418	27834	24921	81493	80157	53582	20218	55251	34821	21454	174261	237957	283298	18503	10470	8244	20387	15734	0	18636	38868	139932	29065	60508	28061	82627	55962	29615	37295	34887	26144	44871	52465	69674	52721	140068	195432	493	60869	59885	37626	51780	45987	31935	15484	28673	57764	34217	39231	523	22011	86306	Phytochemical	0.36842105	0.8947368	0.05263158
14	C19 H17 O7 N1	372.1078	372.10828	-0.0458399	372.10776	55159	67431	46024	56486	43961	25584	19412	24452	48053	169993	111818	15540	62101	22057	21907	29230	26465	46185	54662	109627	154967	116471	26022	34265	21066	152155	15914	96356	15414	15154	12791	19713	31125	14015	216058	13616	27694	17434	28748	98411	139538	23853	0	0	0	64007	87832	0	17921	16890	50052	46994	30525	276	53909	38702	22179	29912	19463	25710	26285	80681	70353	46765	20770	51112	29640	25177	174188	226723	254188	14127	13045	9077	17148	14776	0	15561	45483	91297	31562	53227	19972	64579	52374	23396	47025	29463	27372	56918	45233	42088	47234	114786	134502	450	40782	51742	33592	41093	38202	20417	13547	28638	44196	30251	28184	0	23203	60971	Phytochemical	0.36842105	0.8947368	0.05263158
12	C19 H17 O7 N1	372.1078	372.1083	-0.043124218	372.10776	30799	28982	30454	34357	30592	19819	16755	14387	36040	127569	70266	8118	44043	15630	12653	16807	20239	36674	40018	83161	120653	75268	17116	17964	12173	113772	11515	58692	8462	11000	11626	7866	22397	8620	156262	13113	15608	13414	20721	77632	118752	16130	450	0	0	41674	58198	0	11561	10950	32576	32578	25074	0	29564	26279	14783	20772	9386	21573	21271	51003	51677	31414	12154	37777	18845	26533	139085	172389	218787	9518	8756	4138	9761	8358	0	8869	28952	57998	19281	38354	15279	44126	33089	15739	30097	16307	14950	48755	30410	33856	35359	88016	73254	0	35395	32712	32012	34676	32344	15228	9282	12781	24101	20825	26207	0	17163	48945	Phytochemical	0.36842105	0.8947368	0.05263158
24	C19 H17 O7 N1	372.1078	372.10815	-0.10115517	372.10773	5807	6575	6343	5947	6169	5384	0	1999	3976	27506	13450	0	6728	3255	1542	0	2882	4670	4157	8022	15973	18771	3302	4203	2218	9884	0	6413	0	0	0	0	3867	1511	26172	1324	2768	2333	3293	17489	27655	4237	0	0	0	14089	20493	0	2195	1652	7848	6484	4317	0	6308	3145	2929	1772	1571	2297	3605	13803	6563	3793	2167	8981	4161	0	17903	15387	18856	1748	902	1334	1404	1047	0	1798	5063	22552	5592	12238	2349	12667	6636	0	3404	3492	4531	4015	3559	7920	3948	26137	33480	0	4790	4140	2514	2650	5721	1940	1283	3332	8286	1923	1475	0	854	7678	Phytochemical	0.36842105	0.8947368	0.05263158
18	C16 H21 O7 N1 S1	372.11115	372.11157	-0.11497716	372.1111	16807	6665	9729	10783	8634	10457	4723	4663	5098	31533	10071	3405	14318	4372	5187	7536	7730	16251	12666	25831	22238	28246	4113	6151	7579	16375	5617	15409	6974	6008	4401	5457	9372	7951	28932	4512	10092	4250	7652	32069	13488	8817	520	0	0	14440	14477	0	8691	4618	9243	11783	4845	0	6899	5677	5353	8460	14255	8731	6777	26139	5371	5790	3981	3753	7277	5668	16956	24274	17782	4161	4333	1473	5175	4511	0	2582	3770	17298	6358	11733	9208	16673	6597	5587	6526	7995	5837	8083	37624	49790	14296	21100	34887	0	12043	14001	3463	4199	4823	10225	3313	17690	13746	9754	6799	0	7435	7001	Organosulfur	0.4375	1.3125	0.0625
18	C16 H21 O9 N1	372.1289	372.1293	-0.10476037	372.12888	70933	63174	73385	65079	80617	62716	33265	80688	80043	61018	47552	54101	135239	46530	68975	83449	62789	137674	121613	99155	113758	58375	76053	85957	36315	74043	37361	32079	71477	67376	62092	56196	60430	65455	66714	65599	69467	55375	53053	75014	93045	71674	5831	1297	1563	76904	98752	2008	71998	70998	76075	74707	71692	1734	142081	93083	49957	59684	49761	59603	69904	76409	106859	102320	48505	78582	66521	57297	145893	88636	136166	64234	60931	64451	62923	55432	1254	58270	72296	52605	59740	57957	32061	46636	125885	69787	56276	60442	60715	44726	27333	49881	79180	46804	63039	2010	63412	76803	78358	71658	89235	76445	51772	71399	49179	56482	84879	1583	44437	115679	Phytochemical	0.5625	1.3125	0.0625
6	C16 H21 O9 N1	372.1289	372.1295	-0.13111219	372.12885	63125	66886	55311	56319	45658	33335	29937	71768	68818	79390	65889	43905	92342	22476	45502	78368	65519	97466	96176	82690	110539	81197	58682	76061	18777	22305	30328	26008	57504	55972	56965	52148	67696	47628	92691	60320	61214	39362	71607	56449	96977	56343	1281	279	375	59543	83728	0	60299	57567	65531	55668	49256	715	104463	72509	37023	61868	55302	69619	77824	53389	106469	83030	33656	68081	53937	82778	53910	33618	50838	53935	50410	52385	34971	43977	299	34748	42544	29694	33684	29989	27052	19651	81113	46978	38268	49616	52688	60714	24416	48612	78568	50871	63872	563	61830	64074	43816	57646	73125	79191	39691	84993	53697	57023	61370	0	23992	112749	Phytochemical	0.5625	1.3125	0.0625
12	C16 H21 O9 N1	372.1289	372.12943	-0.044198364	372.1289	360667	367089	387396	373526	383199	307464	240353	428010	581454	643497	383262	238353	620464	163571	322272	316326	409024	822370	806553	819407	981024	587214	406376	342387	169163	298686	177190	250802	422841	323973	354437	312745	501140	307351	1001018	384109	416147	291737	392718	636907	508203	353586	12733	1654	1437	433715	460774	1205	328390	348031	398850	358990	370113	2299	1064339	467881	249800	329622	460305	364015	421291	553707	700907	664601	187784	459903	319283	352481	762998	507656	591950	326946	331085	366417	257017	285694	929	297872	272259	320537	276099	271535	225055	222618	452184	293214	236926	253792	327199	296775	230992	422837	404850	385863	407880	3314	403239	471656	396092	278013	331764	477918	257996	389212	340589	325402	442084	1204	155974	809161	Phytochemical	0.5625	1.3125	0.0625
14	C16 H21 O9 N1	372.1289	372.1294	-0.08085654	372.12888	290538	311327	263196	286482	287175	276036	170989	310619	452984	399168	263953	190026	634123	168731	282281	276888	236812	649521	537706	546986	724257	389925	332786	308050	158083	288169	129269	204125	285862	305500	226300	254379	359007	216667	575719	293142	287496	222289	199382	445644	369016	305011	16298	1898	1675	354439	377572	2025	245201	277687	283831	261539	282747	2081	786358	378304	189912	261242	367147	234239	338385	457082	507207	492285	168176	348405	255439	186213	644775	428763	457466	246055	246545	302651	239047	216679	1140	219262	224686	260511	200062	222143	148246	171474	397541	241883	206074	214700	245334	178953	183090	282786	354557	263855	317278	3917	287242	398468	299200	247977	296163	371899	199926	368671	314331	234420	332985	1424	129775	519845	Phytochemical	0.5625	1.3125	0.0625
4	C16 H21 O9 N1	372.1289	372.12952	-0.16222407	372.12885	14673	13495	12285	11897	11678	8137	4657	15555	15824	12946	12326	10008	24539	8023	9047	12426	12984	20318	18744	19267	21485	17260	12415	14982	4253	5651	7364	3875	10656	12144	8991	8688	14308	8944	17473	11560	13455	7296	20064	12590	14532	11955	718	0	473	12107	14671	0	10710	11828	15000	11781	12202	458	22095	19686	8940	11157	10908	13268	14790	8213	27362	44192	8634	18381	11240	14136	11311	6855	8477	10815	11022	10354	3849	8479	276	8412	7844	4569	7727	7281	4901	4086	23655	10463	6980	9679	14200	13413	6453	9208	15258	9081	11422	501	11738	14793	13938	20301	20058	16177	8563	17847	8765	13390	15764	0	5330	54990	Phytochemical	0.5625	1.3125	0.0625
10	C16 H21 O9 N1	372.1289	372.12943	-0.025838904	372.1289	333644	304066	295471	295782	270545	214000	163692	351007	380631	527255	325088	226390	564263	124791	229503	314859	272887	574083	533626	611857	695439	424564	317936	328722	123140	218066	167998	167500	292234	292020	242524	284822	372747	260198	688293	280779	355490	194770	266388	444217	475947	279238	9608	1116	816	347106	374684	1128	284443	293975	312191	309328	252952	2387	674371	350402	158148	268768	323098	274140	358872	350866	430101	468439	156397	350849	228406	252355	478087	290287	395053	261156	268164	279372	241243	248621	659	213337	222992	196897	217819	191995	166356	151286	360693	217740	187727	238825	262261	202969	147417	270038	357257	313219	424444	2949	318256	394717	246350	245321	294766	396444	210596	400763	303427	246330	305040	901	131063	523107	Phytochemical	0.5625	1.3125	0.0625
6	C15 H21 O8 N3	372.14014	372.14072	-0.1305796	372.1401	18800	21725	20622	19957	12571	10456	10610	23083	16537	14440	8827	15938	26269	4867	18878	23463	24556	26448	28621	11871	16585	33478	19614	28256	8901	818	9809	4858	17509	16246	20027	18834	33090	18796	21349	19308	27695	15460	28309	8835	16828	14352	0	0	0	14193	18122	0	23055	18708	19340	19575	15773	0	27386	10711	12633	27082	17963	15181	24383	10712	29669	24404	9764	21810	19539	31313	2445	4027	4097	19038	17772	15685	11915	14585	0	12993	11452	8689	10950	6552	8297	3213	15547	15067	15448	18503	19259	33828	10890	23370	50216	11927	9836	0	19747	18750	9106	10947	12691	25677	16416	18932	8876	27834	14252	0	12812	35889	Peptide	0.53333336	1.4	0.2
2	C15 H21 O8 N3	372.14014	372.14078	-0.18790975	372.14008	12612	12248	11028	11471	12118	0	5771	11919	14211	5184	6543	11675	22015	3531	8024	1869	12211	17330	19810	4772	9766	17044	10839	9824	2852	0	0	3875	10071	6547	13565	10265	19092	11577	9086	9307	15296	7227	12992	5753	9096	15020	0	0	0	4134	6727	0	10020	5677	12031	10216	12862	0	15915	7651	7434	16226	4832	7127	3103	3724	25470	17442	8646	19050	15526	18689	1071	950	2023	11010	12862	8338	548	8906	0	6688	9005	2741	6641	2832	3349	1183	12535	6162	8155	16660	14363	26104	8674	10885	28365	6046	1148	0	12042	10970	8299	11702	10193	11440	8280	6425	4043	18392	7568	0	5808	32499	Peptide	0.53333336	1.4	0.2
4	C15 H21 O8 N3	372.14014	372.14075	-0.18411246	372.14008	9378	11457	9249	10500	8231	6467	5180	10066	11839	5040	4166	7139	15981	3883	8996	10791	14504	13719	13322	5937	6786	16829	10687	10529	4309	446	6829	0	6589	5727	7595	8462	13734	8461	9576	8069	11783	7909	19198	7902	8176	9527	0	0	0	5893	10256	0	9324	6840	9294	8605	7845	0	13781	9007	6377	9671	8627	8610	9453	5969	21147	12850	9287	13263	9002	19213	1368	0	2292	7840	6246	7275	2856	6073	0	7731	7865	4386	7319	4585	4231	1915	12642	7108	7138	8858	9713	17863	7776	8650	30411	6707	5751	0	6426	12654	7981	11577	9861	11601	7913	12217	6323	13218	6305	0	5177	21426	Peptide	0.53333336	1.4	0.2
8	C15 H21 O8 N3	372.14014	372.14066	-0.15382111	372.14008	19218	19381	14861	16539	10421	8406	9505	18246	12647	11454	4650	18415	17723	4293	20289	22986	18497	19107	21721	10873	11987	27600	16670	21682	8723	0	8785	7241	16645	14619	17069	18297	20558	14708	13572	17971	26152	15813	23747	10451	15478	13883	0	0	0	10972	14418	0	18180	19082	12951	18175	13952	0	20735	8242	10061	18365	17550	13608	19080	10685	21596	18158	10916	16710	14457	21635	0	3278	0	17380	16655	12903	8600	14973	0	13907	15466	5598	12292	7859	7025	2201	14656	12821	16860	17718	16534	35050	11538	23279	43481	7624	8243	0	17798	19413	7712	7965	9735	22811	14448	17171	8062	21157	12539	0	11042	21781	Peptide	0.53333336	1.4	0.2
12	C20 H21 O6 N1	372.14417	372.14462	-0.16673449	372.1441	46491	44787	43205	45199	32462	22531	26045	33673	33404	150611	81858	18936	32488	21506	21736	25508	30010	31702	42978	145218	179337	85256	28415	30515	23691	171766	16605	82246	22353	26298	25351	23875	37324	22619	193051	26821	30254	20620	34784	115807	136716	22347	354	0	0	67857	78912	0	26565	28773	45636	50659	20759	0	35996	20165	13128	31763	13327	28313	20712	73124	43569	27053	13995	32017	23959	36162	175287	248588	285299	22836	20621	18031	22555	24029	0	15554	30094	53654	29491	39617	23555	68382	24836	19134	34772	18479	20893	66926	44166	47586	55245	68255	76123	0	43177	54659	33469	24090	21193	27480	17507	29214	32641	31187	22600	0	27810	36525	Phytochemical	0.3	1.05	0.05
4	C20 H21 O6 N1	372.14417	372.14478	-0.17332816	372.1441	4598	5968	4187	4568	4492	5810	2012	5394	4951	13054	7370	2706	4958	5592	2833	4222	3498	5794	4717	11196	16882	7689	3729	4539	2068	22547	1381	5849	3023	3186	3082	2884	4521	2549	19088	3084	3342	3089	5283	8205	11790	2721	0	0	0	8748	13260	0	4260	3788	6657	4224	3399	0	5233	3975	1596	4771	1893	3558	3238	5787	3999	4478	1089	4537	3068	4570	24673	23748	33725	3289	2639	2807	2786	3600	0	1679	5535	8338	4275	4940	2485	7025	5278	3130	3711	2762	2698	6282	4169	3149	5084	7762	10555	0	4240	6183	5520	3847	4086	4948	1954	6681	6912	3901	3934	0	3064	3562	Phytochemical	0.3	1.05	0.05
8	C20 H21 O6 N1	372.14417	372.14468	-0.19424328	372.1441	30926	31702	24673	26568	19758	14811	13096	19253	19387	101792	61872	12205	21779	13070	13991	18677	16170	18172	27360	104753	113082	52494	15346	21396	13465	94868	12406	52312	13316	12718	13506	14756	21191	12660	112020	12652	18791	8983	21014	75942	70795	12200	523	0	0	41537	56180	0	19524	16539	30851	32955	16382	285	23087	14086	9575	20478	5643	16434	19805	41304	27599	19705	10645	21968	13175	21303	111384	151190	190099	14203	11436	10850	11120	16073	0	10052	22516	34162	13547	20812	9820	44844	17804	11498	18194	12440	14278	30580	26205	27564	28828	39637	73716	0	30671	31510	16790	17818	13771	15289	7930	20623	20294	16030	16537	0	13058	22097	Phytochemical	0.3	1.05	0.05
18	C20 H21 O6 N1	372.14417	372.14456	-0.12035534	372.1441	83378	88120	74690	75535	56553	36140	33956	45012	46609	226262	164143	27834	60641	39191	29973	57614	42420	76500	77159	217119	224937	143965	42912	63062	33660	244730	33871	166575	36851	36604	32964	41310	48505	37400	240719	35384	65692	24873	45905	203705	192706	29522	2887	429	0	99463	108713	532	47405	37471	80142	74089	48991	401	51193	35031	29638	58177	35547	39157	51865	119093	79810	34180	26227	64321	47943	39740	249194	328615	393405	42723	29678	30932	36438	30624	0	28267	47572	99829	35780	70801	39671	123587	52993	36189	54706	47633	46719	63413	89898	96192	88951	104493	137611	980	80461	77727	42639	34365	42702	48757	27232	57957	52202	41327	41252	538	42671	59177	Phytochemical	0.3	1.05	0.05
16	C20 H21 O6 N1	372.14417	372.14462	-0.11527175	372.14413	75105	80273	81738	82292	54075	45671	38494	46032	49355	229488	149036	27129	63667	39730	28460	61642	46146	55066	73138	199682	246907	131444	38157	63247	36150	269813	30800	131742	35981	36546	43171	47990	53588	34526	232897	30019	55204	29993	48976	175375	183043	37001	1248	0	338	91303	103424	0	44741	40335	81905	79634	42270	583	48679	30577	26281	56144	34727	52438	51566	112057	69303	43254	23949	61702	47994	46434	250285	345791	409705	40624	38159	28753	38082	40784	0	28359	44100	102139	39341	66499	44197	126130	55858	28498	63551	45272	37441	99061	80794	88672	94036	110803	154765	487	72581	81812	43316	39502	40218	48186	24771	58707	47064	61617	36018	0	40153	63663	Phytochemical	0.3	1.05	0.05
14	C22 H22 O3 N1 Na1	372.157	372.15723	0.048316624	372.15704	43110	38664	35686	35682	27348	20338	28860	32030	17692	32646	23054	28418	11292	16468	33800	51466	51288	20524	22692	44730	44126	58770	41190	52496	39312	32410	34510	27450	30020	41854	53192	30898	70250	52796	31526	43067	36176	29670	67824	45268	56388	21760	0	0	0	40262	29976	0	47555	30708	34024	39802	21212	0	23798	10276	19078	65634	24010	47198	0	35214	17486	14826	18868	26928	24692	53312	35484	47142	49768	24290	35493	36557	35584	35913	0	31371	39196	0	40022	31504	28432	36272	14864	17964	40366	31230	26008	110050	55224	58964	94752	29752	46314	0	33576	26942	11684	15392	10492	51252	28086	43460	0	47664	16274	0	43670	13734	Phytochemical	0.13636364	1.0	0.045454547
14	C17 H25 O8 N1	372.16528	372.16577	-0.11750875	372.16525	589850	592808	598943	596916	529820	507463	399062	879520	770246	724415	423084	382973	1091441	303583	723625	811132	646420	1207424	1068761	1306264	1428382	680191	842798	859212	600257	1222222	324328	482466	885541	803544	536964	635459	857604	552214	1095878	822536	679575	530144	485843	806340	547406	631305	21469	3331	2192	813908	647779	2604	566141	705300	547272	525931	541943	3611	1304534	699224	340586	646433	746066	447068	821639	597471	852607	842806	320806	649959	525941	431268	1087325	1362041	919614	614526	585444	823606	587799	595514	1398	499345	593953	419185	574074	481332	434061	404387	786125	509949	551098	413514	489363	438187	537245	587008	903814	373146	607096	7849	573902	875528	504723	574374	674195	861382	439249	895281	461774	517499	626489	1979	391352	821637	Lipid	0.47058824	1.4705882	0.05882353
18	C17 H25 O8 N1	372.16528	372.1657	-0.11104044	372.16525	347323	329157	360487	328430	350031	277204	213480	435912	337219	468753	254029	232241	603368	174838	338306	382690	278318	619089	570133	612492	564989	299301	398821	458249	230166	558348	190873	200298	419181	374924	315090	326726	372853	350944	457484	404654	411626	239235	248266	465446	349325	307541	13881	2441	2572	344965	322120	2020	371152	388809	358279	338834	303312	3229	704465	363385	198082	316828	270306	230822	396659	325402	445046	421704	174361	368195	272182	234911	522346	640387	533790	359192	323722	411052	289986	335457	2036	252016	307793	201456	278349	216580	226751	251995	425607	267937	262301	251952	282999	178003	286343	334584	411568	200453	356497	4713	362741	432299	266607	245778	300860	408509	227449	450656	182083	294205	312151	2768	226230	460582	Lipid	0.47058824	1.4705882	0.05882353
6	C17 H25 O8 N1	372.16528	372.16586	-0.20639628	372.16522	117036	127100	59936	131624	33725	32982	35288	171054	90124	84423	43462	87104	68824	18690	110254	154070	51312	126446	139546	87771	200866	206982	56888	87003	31450	31220	35985	25950	145696	142284	124050	143464	155524	114270	217438	148608	149178	44764	63250	58876	127428	82374	912	286	589	72535	72880	0	75940	137192	62962	121904	38416	899	157042	41071	23339	132388	131512	123562	76373	52045	72496	53889	22865	46068	90750	110898	49428	51066	51248	126302	119024	139700	31179	111626	258	80068	88214	29048	36956	73044	83716	28482	45994	31459	77094	32589	93684	121198	40185	76859	169362	52459	69597	733	122794	142098	28430	38264	48949	155376	86178	104457	52236	61958	38496	321	32194	161496	Lipid	0.47058824	1.4705882	0.05882353
12	C17 H25 O8 N1	372.16528	372.1658	-0.07526372	372.16525	322517	341029	377594	332571	354505	295833	336605	809113	467503	437998	272523	337071	532012	163046	507717	403134	488496	737149	814740	844264	942228	463171	636279	486363	447416	689720	175948	306075	732634	409051	521032	359090	612624	416504	758950	510249	452970	410277	424110	540794	400763	363998	12916	1730	1666	552805	435316	1774	398272	487021	365350	319062	376914	2561	856324	436622	257092	433098	592475	455539	420895	409892	556051	524429	202473	440436	316420	387884	742538	829511	713208	392650	438333	489053	291167	370535	1161	427736	469495	308647	459449	369835	370816	287867	514456	339089	407807	246431	348682	404408	289224	477628	613469	293923	283844	4900	367900	524218	361376	319440	418895	486847	359556	468827	345265	425754	432467	1531	326094	612625	Lipid	0.47058824	1.4705882	0.05882353
10	C17 H25 O8 N1	372.16528	372.1658	-0.053838905	372.16528	299458	263122	245407	232806	170498	143221	182531	427144	228857	313205	178441	217644	305492	86458	293888	359719	252488	346560	364773	501301	480544	317365	318211	460784	216769	343720	152201	128559	347392	349734	263829	273544	305054	284351	373529	359519	319566	212061	235368	334456	276957	213215	7641	1841	1448	366861	322899	1582	295302	379166	268994	269458	169372	1953	391687	230235	128859	306376	325896	255620	411707	205565	239206	248820	108955	217555	160804	237807	356106	333483	309119	294841	297525	365885	216010	270805	853	204329	258502	143942	256400	194995	228000	137120	289601	170854	221682	161465	183246	223760	169925	246209	408474	170610	290739	3460	252981	373056	146018	169519	230168	366618	195816	431657	229397	244295	203607	890	173338	270313	Lipid	0.47058824	1.4705882	0.05882353
12	C16 H25 O7 N3	372.1765	372.17703	-0.089622095	372.17648	8409	8320	5762	6561	3953	3468	8077	9509	4892	0	3333	5778	4890	1918	8566	10538	8843	4590	5228	2319	1779	9227	8585	15815	11323	0	5217	0	10467	6430	7517	9150	17007	10168	4794	10276	15501	5934	10805	2168	4468	4732	0	0	0	3681	0	0	9251	9120	4831	8842	4212	0	5197	1301	3295	15688	5314	0	0	0	5396	2104	3422	6945	4973	8102	0	0	1289	6323	7199	8221	3751	7813	0	7133	8047	0	5004	2357	3722	1207	1048	0	12484	4814	5448	17921	45854	30321	31011	3293	3371	0	8850	7934	1904	2065	2122	10052	5747	4706	0	13037	1940	0	8568	6473	Peptide	0.4375	1.5625	0.1875
14	C16 H25 O7 N3	372.1765	372.17682	-0.20992124	372.17645	5030	3945	0	3773	1658	2026	3708	4280	2376	0	0	2539	0	1846	4869	7299	4184	1947	2833	0	0	5109	3693	8503	6412	0	3317	16358	6350	5769	4841	9198	4332	4759	2589	4318	10635	4221	5046	1189	0	2549	0	0	0	0	0	0	5951	5096	5254	3149	2825	0	0	0	1195	10507	0	0	0	0	0	1675	976	1939	3921	2401	0	0	0	6476	6017	4102	3485	6318	0	3164	4899	0	1960	1553	2297	0	0	0	3567	2914	1822	11577	23765	16334	12407	0	0	0	0	4633	0	0	0	7048	4422	3829	0	9586	0	0	4830	2044	Peptide	0.4375	1.5625	0.1875
10	C16 H25 O7 N3	372.1765	372.177	-0.14502527	372.17648	14618	12400	14294	13550	4398	7412	12041	16938	5710	4925	4097	7096	9518	3143	14859	20141	8376	13906	11396	7171	5499	18663	13117	17687	18092	0	8438	14326	12725	14517	15168	15146	21400	13415	8624	13615	21383	11632	10802	5719	3259	8197	0	0	0	8611	6320	0	14350	12097	15323	13611	5937	0	10278	2766	4328	24285	8645	3773	22526	3836	6699	6431	2577	10798	9869	14593	0	1492	0	14099	14373	15743	9507	8255	0	9649	10288	35057	8670	4893	8317	1949	5593	5561	11883	7845	7877	23312	73557	53035	41613	8277	7754	0	15237	11658	3634	2702	4837	20983	9796	15776	0	16857	5834	0	11515	9033	Peptide	0.4375	1.5625	0.1875
6	C16 H25 O7 N3	372.1765	372.17706	-0.19010876	372.17645	33720	29747	28671	29708	13289	13684	17208	31646	23714	17973	12085	18194	27350	8110	31588	36038	20460	29034	31540	18477	14018	47683	25062	36267	22365	1622	14002	32298	31631	25721	26200	32498	39373	28623	23607	27084	37875	25494	28299	12334	9526	15346	0	0	0	20151	11374	0	35686	21021	28992	28181	15716	0	29785	9155	11218	41468	24164	9719	36124	9087	26107	22591	8983	24244	20747	30459	2571	7175	4791	25780	21121	23041	10249	21014	0	17859	23339	17652	16444	9133	12093	6152	15262	16349	26315	16647	18802	55187	224834	134689	69018	14035	14201	0	26195	27814	9687	10168	10528	31523	16719	25974	0	37723	14485	0	16676	37311	Peptide	0.4375	1.5625	0.1875
10	C21 H25 O5 N1	372.18054	372.181	-0.19768319	372.18048	23914	28863	23764	24301	12936	11355	12179	22723	8941	81668	50278	15640	10252	9310	11101	30726	21527	12386	21355	102988	105200	30405	15623	28462	13288	124139	14320	48598	24047	17131	18532	19880	26881	16805	98749	21668	28926	11182	25885	60627	48685	10495	0	0	0	34725	37073	0	22309	19492	27047	29609	10542	0	9534	6781	6283	23568	0	11944	20892	28624	11971	10279	7556	12997	12917	24555	100082	142112	160810	18852	17540	16807	20273	16356	0	11861	19474	24615	15484	7879	6338	36082	8435	6809	13254	12751	12948	43260	33912	16504	44541	29046	56634	0	28618	30448	7515	6342	7217	25243	14957	22544	0	21436	8672	0	18516	10150	Phytochemical	0.23809524	1.1904762	0.04761905
14	C21 H25 O5 N1	372.18054	372.181	-0.15110302	372.18048	34436	37512	32374	38184	19773	14823	22870	29945	15025	68817	60598	20916	6893	15871	14951	38981	28975	14409	28658	97376	101766	42202	18270	35793	23587	127494	20808	61291	23406	26832	25992	22747	35751	24592	84467	28416	27689	16124	38640	76671	73446	18442	0	0	0	36038	45267	0	30686	26445	33082	34081	20922	0	14752	9900	13078	29262	8574	29564	32780	35770	14900	13556	15024	19856	22028	45818	89703	150628	152604	20177	17887	19977	23433	27315	0	16485	27176	31584	22011	20404	22918	43254	12919	12184	31994	15741	20408	63928	38876	28199	53235	37757	54981	0	35367	40567	13959	12631	13252	29814	17534	35074	0	30595	13365	0	22816	11889	Phytochemical	0.23809524	1.1904762	0.04761905
12	C21 H25 O5 N1	372.18054	372.18106	-0.05490457	372.18054	27728	32879	34310	26994	12806	11895	14344	24986	12622	72716	54289	12470	10658	10833	15141	28059	27217	11805	24105	100333	109644	39389	17666	24907	14607	121352	19547	37260	20568	19325	19896	24621	30725	21554	83871	20287	19665	13697	34700	56193	60878	11570	0	0	0	28117	39072	0	23346	19857	28620	29645	12403	0	15291	7114	8133	22290	5588	17294	23318	34746	9656	10810	6242	15234	14351	29295	82865	154966	170285	20231	19044	16301	18845	17419	0	14881	19362	23916	11204	10499	9277	38039	9167	6535	20273	13408	11826	53341	32760	23232	40034	38188	43680	0	29971	29070	11820	8974	8853	22027	9729	19711	0	21841	6628	0	20208	12660	Phytochemical	0.23809524	1.1904762	0.04761905
18	C21 H25 O5 N1	372.18054	372.18094	-0.15602161	372.18048	70682	65138	58944	45035	33830	26138	39636	51365	26191	111327	89628	31340	26669	29461	30471	61095	53880	26238	49009	137989	147731	66284	39057	61124	31565	201894	30984	87400	43166	41188	44774	47383	60042	50259	99498	52002	52508	26413	54355	111820	137209	34627	967	0	0	59874	74053	0	53419	45385	51825	57655	36507	413	26164	26019	21461	50024	32479	50613	58161	65923	33603	24532	17016	34520	40140	52625	177486	200896	268397	43049	37236	37391	47429	45212	0	29696	47620	61990	39923	36969	33689	65944	27703	23173	48484	41215	35698	91447	66699	72165	83759	63298	81242	0	59755	49588	23472	26150	28614	58072	30305	52133	28148	52471	21936	0	39355	33438	Phytochemical	0.23809524	1.1904762	0.04761905
22	C21 H25 O5 N1	372.18054	372.18094	-0.081874244	372.1805	48160	46511	45142	45868	32639	29388	21361	40078	27547	90523	89718	23787	27403	27817	22928	51337	29603	34272	43477	103957	128475	60953	25088	50243	28143	157179	13962	88410	32957	29217	38141	33927	53100	38941	92354	30087	45617	18170	36721	91668	112178	28420	0	0	293	57832	64709	0	41643	31919	43940	49196	39585	571	24970	25278	21453	41331	26942	32925	42034	67301	23610	20919	11405	39445	38552	36140	141438	151738	188556	32717	33474	22276	27080	31146	0	22255	26007	53120	25804	36201	30194	69778	30602	23553	38615	33457	27820	49829	59149	55270	69826	59592	68532	0	38098	57294	25724	31662	25644	49144	24481	43405	35245	41456	25794	0	29110	35771	Phytochemical	0.23809524	1.1904762	0.04761905
26	C21 H25 O5 N1	372.18054	372.18082	-0.06394625	372.1805	6139	4007	3847	4638	4528	2261	0	0	3231	4814	8835	0	0	2391	0	0	0	0	0	5035	10570	4730	0	0	0	9761	0	8335	0	0	2497	0	2742	3954	6648	0	3040	0	3369	7847	15569	0	0	0	0	6249	0	0	5885	0	3839	6066	3109	0	0	0	0	3458	2382	3253	0	4416	3398	2821	0	3442	4843	5252	14905	8219	15454	3036	3984	0	0	2426	0	0	5916	5893	0	2629	2537	7756	5427	0	7815	4382	2668	26298	3402	5283	8725	4340	5913	0	4482	0	0	4746	6249	0	0	0	0	4497	0	0	2874	2944	Phytochemical	0.23809524	1.1904762	0.04761905
24	C21 H25 O5 N1	372.18054	372.18094	-0.07482335	372.1805	17002	22429	16947	21071	15395	12217	5921	15122	12758	35277	38130	7653	13246	10023	6781	19423	12269	15768	21242	34606	35386	28450	9603	19140	7748	47992	3595	37720	10591	12348	10960	12576	16124	11397	39588	14975	16160	8109	14216	36081	41609	9699	0	0	0	23972	26986	0	16130	14393	19920	16816	13037	0	11110	13015	7033	14730	10165	11249	17959	27601	15288	12186	6146	17739	16258	9732	59283	43457	80701	12444	12297	9420	8384	8551	0	6964	12995	19137	8916	17477	8976	24404	13818	6043	10843	13068	13835	14840	20511	22317	24929	23038	23525	0	15812	19837	13805	10513	13152	14656	7113	20689	13550	13223	11308	0	10736	13741	Phytochemical	0.23809524	1.1904762	0.04761905
28	C18 H29 O5 N1 S1	372.18393	372.1842	0.050646905	372.18393	2809	2379	3332	3516	28093	12056	1113	0	8096	1354	0	0	8118	43845	0	0	0	15320	18318	0	0	1427	0	0	0	0	2053	1678	3094	0	0	3745	1847	2858	2608	0	0	0	3147	2566	1979	17829	0	0	0	0	3127	0	3243	0	4141	2902	19644	0	4924	3475	10597	2466	1303	2152	0	2602	0	3288	16136	9060	24006	2534	0	1900	0	0	1718	0	0	0	0	0	0	0	0	0	1979	2331	3962	8125	2231	3530	5858	2344	3170	2016	0	0	0	0	3751	4087	11142	0	0	0	0	4696	0	0	16559	0	1268	2096	Organosulfur	0.2777778	1.6111112	0.055555556
16	C23 H26 O2 N1 Na1	372.1934	372.19357	-0.21302974	372.19333	6577	5079	5638	6738	4590	2382	51991	8890	1754	4178	4373	13321	2004	2889	0	9895	8112	2267	4288	6894	7402	6523	6431	9067	3212	0	24011	0	34168	12429	15864	10142	23281	22075	4589	7452	15933	3499	9155	4050	7698	3738	0	0	0	4746	7077	0	14321	6829	3822	4743	4454	0	4609	1494	1703	10143	0	5948	11582	2189	0	2251	2766	4039	3078	8232	4771	5617	4951	21020	29027	12278	8571	16397	0	13393	7256	6857	6344	8172	6259	5396	2315	1595	7340	4787	3434	0	10386	10161	0	4066	4781	0	5671	6370	1934	1197	1970	6858	10918	7307	4383	0	3575	0	6545	2490	Phytochemical	0.08695652	1.1304348	0.04347826
12	C17 H29 O6 N3	372.21292	372.21323	-0.18220283	372.21283	2144	2249	0	2063	0	2582	0	2028	0	0	0	1034	1266	0	993	0	2914	0	0	0	0	0	1270	0	1465	0	0	0	1535	0	1787	1447	3753	3125	0	1683	4060	1423	1698	0	0	1088	0	0	0	0	0	0	1795	1176	1492	0	1210	0	0	0	0	5834	0	0	0	0	0	0	758	0	0	0	0	0	0	1293	1330	1752	0	1231	0	951	0	0	1054	0	0	0	0	795	2104	0	0	0	48003	28607	2434	0	0	0	0	3538	0	0	0	0	922	0	0	2983	0	0	1698	0	Peptide	0.3529412	1.7058823	0.1764706
14	C17 H29 O6 N3	372.21292	372.2132	-0.030724559	372.2129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2091	0	1149	0	1339	0	0	0	1799	2125	0	0	1794	0	1727	0	0	988	0	0	0	0	0	0	0	0	1906	1721	1175	527	0	0	0	2240	0	0	0	0	0	0	0	0	0	1271	0	0	0	0	0	1520	2344	0	0	1122	0	0	0	0	0	0	0	0	1289	0	0	0	37186	14486	3876	0	0	0	0	0	0	0	1239	0	0	0	0	1425	0	0	0	0	Peptide	0.3529412	1.7058823	0.1764706
10	C17 H29 O6 N3	372.21292	372.2133	-0.31013814	372.2128	5531	6085	6640	5768	2578	2882	1741	3064	1346	2804	1273	1861	2632	4260	2385	0	1258	1267	1867	1746	0	3311	3215	4323	5910	0	2323	10173	6513	4507	3372	6268	4930	8742	3483	4894	6827	2447	3750	0	0	1324	0	0	0	2464	0	0	4582	1499	5299	6841	2824	0	1588	0	0	6858	0	1633	0	1541	0	1627	949	4496	0	2809	0	0	0	3874	4174	0	4624	2781	0	2377	1983	16618	1603	0	926	0	0	1175	2677	1630	0	5111	259557	126789	6692	3597	3842	0	4382	6477	0	0	1754	4638	1865	2959	0	3708	0	0	2985	3124	Peptide	0.3529412	1.7058823	0.1764706
6	C17 H29 O6 N3	372.21292	372.21344	-0.18776904	372.21283	45516	52030	47056	42041	3992	14889	4887	9448	3975	12896	28142	2516	7685	5648	7052	13307	4354	7457	6052	4081	2168	8619	4183	16342	8222	0	4356	187278	12017	7390	7448	10980	17460	8648	6670	9393	10541	6469	4088	1266	1847	5342	0	0	0	3047	1498	0	10299	5705	43856	48276	5647	0	8594	2061	2062	16880	1234	614	10889	0	16208	4497	1600	8261	5370	3998	0	3004	0	8772	5423	5868	4505	6747	0	4815	3484	183438	1873	1159	1173	1138	4155	5437	5962	3511	6231	10487	3337059	2790334	15187	66707	22708	0	43735	47895	2655	1200	1115	10925	4772	4988	0	12528	2933	0	4616	11665	Peptide	0.3529412	1.7058823	0.1764706
8	C17 H29 O6 N3	372.21292	372.21338	-0.13434753	372.21286	23587	18940	15358	16992	1705	7266	3709	6657	2107	5475	7050	2829	3249	1702	6027	7357	3947	4463	4307	1693	2743	6691	3048	9333	5784	0	4474	28463	6701	5499	5766	7941	8691	9017	5316	7126	10629	3997	3511	1273	0	4353	0	0	0	2820	0	0	9511	4646	18429	23636	2236	0	3029	0	1348	10144	0	0	6389	0	3714	1499	1851	3638	3225	4354	0	1610	0	8081	7999	4585	4020	6445	0	4149	2749	35452	1780	788	942	0	0	0	4758	1697	3311	9951	1007988	694546	13479	14763	8938	0	17333	16253	1770	0	0	8113	4039	5000	0	9058	0	0	5771	5557	Peptide	0.3529412	1.7058823	0.1764706
4	C17 H29 O6 N3	372.21292	372.21347	-0.20477599	372.21283	12573	13036	11734	12668	3633	17050	3358	7069	5282	3033	8383	1812	6688	1987	5058	7827	3577	5509	5648	2887	2457	7546	4437	6907	6928	436	3514	59171	7288	3732	5164	5271	7899	5657	3851	5981	8125	4246	3567	1917	853	2521	0	0	0	2470	1981	0	6736	4387	13318	10949	3399	0	7332	2256	1628	7457	1961	648	7005	0	6205	4723	1297	5625	3587	2088	0	1438	0	4395	3737	7004	1579	4196	0	3473	4098	126906	2453	1088	2514	810	2969	3713	6200	3068	4160	10079	761744	450054	13036	22187	7528	0	11990	14645	2634	2563	2029	6392	3772	6367	0	5323	2620	0	4262	8756	Peptide	0.3529412	1.7058823	0.1764706
20	C17 H29 O6 N3	372.21292	372.21304	0.1360011	372.21295	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20770	1690	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3209	0	0	0	0	0	0	0	0	0	0	5105	2668	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.7058823	0.1764706
26	C22 H29 O4 N1	372.21695	372.21735	-0.10832656	372.2169	12822	14087	14624	14501	9068	9719	4757	15119	8233	10743	17176	10640	7575	7018	6683	21426	15221	10326	15337	13179	12136	14253	6061	25109	13011	28254	4381	20072	9551	15111	12698	16126	20821	15649	9582	16803	15418	9861	15524	16886	30520	8331	0	0	0	7489	8840	0	17644	14496	14292	13335	11532	0	8423	6544	7337	16534	10909	13720	20061	9590	6657	5833	4408	12005	12401	18581	35024	17932	27491	15006	14196	15907	10176	11074	0	10688	19295	23231	7556	9192	10672	15729	16871	0	27447	11956	10565	37533	18956	18225	22820	23726	13986	0	12588	13222	8305	14751	13809	24764	7278	16669	10519	19467	8558	0	14826	4747	Phytochemical	0.18181819	1.3181819	0.045454547
18	C22 H29 O4 N1	372.21695	372.21732	-0.1820675	372.21686	16826	13379	14200	12473	6198	2909	9521	11450	2524	19785	23837	8115	2461	6256	9543	16081	25529	4605	4276	23829	20679	12786	6516	15465	9096	52755	9537	21447	7712	11798	10016	12446	17200	13425	13285	7375	13626	10932	20457	17033	26228	8943	348	367	0	5206	11587	0	14834	8485	14572	15136	8299	0	3294	2630	3868	15141	3833	12861	14805	7119	3851	2348	4558	5864	5088	24968	34714	42375	54635	12133	6808	11468	19611	13268	0	5420	15078	12619	7778	6413	5709	12261	2165	4475	12237	9404	10750	45175	28306	10249	24247	15451	22231	0	14970	11267	4281	5377	6463	13666	9933	10481	4952	16038	4974	0	15521	5574	Phytochemical	0.18181819	1.3181819	0.045454547
6	C22 H29 O4 N1	372.21695	372.21744	-0.28251305	372.21683	30953	24504	25436	26538	1682	3930	23664	54528	1590	28822	19148	26638	1512	1532	27974	56054	31506	3130	8642	46016	44240	13298	21669	48818	23109	19674	25538	28314	45898	42012	41842	52782	52340	42886	38566	56534	49300	25000	41734	28302	9634	11449	0	0	0	21052	18688	0	54856	49885	26298	25684	6076	0	2126	0	5560	40370	0	0	45910	12892	0	3226	6096	3802	12819	48326	10702	22638	20536	40634	38434	50818	47852	40175	0	27411	17432	9094	21012	1436	1366	22100	0	3408	17518	11080	16206	45760	0	12595	50603	15392	37754	0	30763	24176	1088	0	0	49338	24440	34556	0	38999	0	0	18872	1938	Phytochemical	0.18181819	1.3181819	0.045454547
28	C22 H29 O4 N1	372.21695	372.21722	-0.076344855	372.21692	1568	1323	2478	1675	1807	0	1334	3933	878	0	1781	1322	0	0	0	3908	4445	0	1879	0	0	2333	1894	4911	0	2379	0	3433	0	3166	3242	3884	3320	3032	814	3734	2373	1657	3385	1090	1294	0	0	0	0	0	0	0	2826	2291	1710	2029	1667	0	0	0	1250	5270	0	1312	3388	0	0	0	0	1128	2237	3698	0	859	2005	2780	4155	3033	0	1217	0	0	7472	0	0	1130	2106	0	0	0	31367	1376	0	15574	2586	3195	4647	971	0	0	1963	2029	0	821	0	3354	1996	2044	0	4193	2117	0	1482	0	Phytochemical	0.18181819	1.3181819	0.045454547
14	C22 H29 O4 N1	372.21695	372.21735	-0.19590035	372.21686	12585	13619	6800	12397	4465	4814	3847	10432	2591	18122	21310	5889	1345	3334	7723	11448	11070	3173	4218	38359	38631	5940	5683	8992	10140	40483	7697	20320	9875	8703	8684	12818	17384	11189	29113	8792	10231	5681	12321	19592	10165	6139	0	0	0	11403	9077	0	12134	8844	9278	11011	4056	0	2081	1601	3137	11703	0	0	0	4175	0	1614	2048	2530	6690	16136	21801	50698	38369	8464	10912	11555	10781	10930	0	4116	5077	0	5565	0	1163	13581	2134	2664	6699	6124	8920	22180	19960	3055	17655	6669	16193	0	8246	12050	1924	2040	2473	8833	4824	4954	0	10709	0	0	7136	0	Phytochemical	0.18181819	1.3181819	0.045454547
22	C22 H29 O4 N1	372.21695	372.2173	-0.18233009	372.21686	41700	36472	33571	33700	28481	12864	18851	41786	12443	47810	52025	24893	7770	17237	20231	54119	52959	18546	18509	55782	60262	41422	17200	52841	32280	103766	18466	49781	32786	32301	34414	32143	35301	36347	37411	35328	38764	23553	49432	48329	68724	18232	0	0	0	32520	42771	0	36775	33577	33495	34525	23711	0	12777	13164	18054	51391	21036	38608	54448	28838	12588	16081	15360	21991	23121	57071	84806	72644	116687	26343	26642	24631	34930	34100	0	21516	31035	47646	23645	25423	21047	36620	14696	16650	41275	28628	19761	100570	46745	44824	72950	43797	47442	0	33986	40457	12416	14829	14642	51189	18653	42882	27297	57198	14607	0	38841	14524	Phytochemical	0.18181819	1.3181819	0.045454547
16	C22 H29 O4 N1	372.21695	372.2173	-0.26817188	372.21683	11512	7340	10134	9393	2496	2745	6414	8487	2888	15410	16729	6006	0	7099	3471	18219	13113	2416	3790	29627	27347	9603	7065	11715	7347	39270	9799	21640	9822	8219	6411	10926	12824	9647	11507	10353	12992	8212	20179	10683	9987	4894	981	0	0	4891	7405	448	11909	6270	8237	9391	5482	0	1920	1605	1889	11495	2123	10962	16712	5302	0	0	2676	2450	5798	22659	28990	36333	44716	7568	9152	7018	11794	8848	0	5426	6919	7332	4714	3243	3439	11200	1773	1388	9934	6068	4552	31917	13299	5103	33344	5741	12695	0	9433	10312	1531	3975	2286	10188	5227	5352	3988	15821	1462	582	9521	2119	Phytochemical	0.18181819	1.3181819	0.045454547
24	C22 H29 O4 N1	372.21695	372.2173	-0.1617951	372.2169	45178	44704	40477	43802	30752	18473	27976	45274	15069	37743	44842	43871	17159	15247	35814	77907	71472	15828	30086	42705	51810	45559	35306	68241	33401	77468	24300	50886	35223	56975	38962	47313	52787	34581	40778	52041	46316	32689	80002	48914	85674	22721	0	0	0	31909	41438	0	48308	48757	43736	46180	29329	0	18484	12190	13348	65990	29719	58701	64100	35317	18162	17350	12437	25841	28995	86820	75732	52233	87797	29673	33086	48065	64492	48577	0	34871	50324	47366	43561	23554	45849	43857	24888	14804	48464	26925	27988	118022	48419	49876	78693	49862	50136	0	42295	44571	16073	22864	21818	68716	32811	49425	23528	64037	19895	0	49971	15010	Phytochemical	0.18181819	1.3181819	0.045454547
8	C22 H29 O4 N1	372.21695	372.2174	-0.22289528	372.21686	34156	37269	26380	34196	2969	7381	22416	63250	2799	40572	22118	30765	0	2034	36172	68939	44099	4522	9616	58357	48314	18491	39527	64051	29541	19183	32735	20258	53776	51714	49411	55573	67482	49703	44257	57617	80434	33853	38691	40182	7916	16006	0	0	0	28948	19660	0	67868	54897	38548	28486	7970	0	3158	912	7290	51580	0	0	72093	10655	1650	4559	7748	3883	12588	57147	13444	29475	26819	59335	52704	52109	45563	56753	0	36086	27496	14120	29692	1003	873	22946	1280	6301	15421	16526	16154	42637	29655	0	55952	20211	39005	0	35491	32271	1320	568	0	66074	28265	36396	0	43440	0	0	22423	2237	Phytochemical	0.18181819	1.3181819	0.045454547
12	C22 H29 O4 N1	372.21695	372.2174	-0.2198436	372.21686	9514	12005	15202	11331	4123	4848	12856	25333	2864	34558	18452	14950	2150	4921	9610	22856	17174	4914	7472	51792	45391	7280	13512	26270	11476	52738	20682	17435	19097	21461	20612	27211	26122	19612	39194	21397	25972	11457	16011	16595	6730	7798	0	0	0	10133	18170	0	31198	18789	15869	13304	5011	0	1915	2231	3577	20716	0	0	16940	6655	1112	2413	3317	3020	8293	29707	26445	68066	57069	22751	19823	23112	21018	24368	0	18709	7032	0	11447	1298	0	17359	2701	2279	8572	7328	9256	29727	18629	2923	31309	12897	24306	0	14985	12078	0	2212	1994	24002	14873	7173	0	18045	2266	0	7243	0	Phytochemical	0.18181819	1.3181819	0.045454547
20	C22 H29 O4 N1	372.21695	372.2173	-0.20195627	372.21686	15399	23059	23553	23369	12732	13376	13289	21177	8058	31372	35681	17374	6778	8309	15807	33543	31635	6978	11755	31988	39435	28751	11622	30018	17089	80539	19499	35533	21357	17437	17862	19906	32512	24020	35540	19314	20293	12905	39398	28098	45313	15808	405	0	0	19294	30885	0	23562	19775	24894	27191	10709	0	5365	4294	6714	31673	11534	30083	27280	17794	4743	6539	6248	9978	17954	45012	49776	60091	93606	16943	22522	18477	30496	24795	0	11919	20107	31345	19630	13332	17557	24710	7859	5534	28692	14151	9264	57370	37890	27682	41854	29669	30141	0	27418	24256	9422	6656	4970	27472	14688	19155	11052	31460	7321	0	24153	5114	Phytochemical	0.18181819	1.3181819	0.045454547
12	C19 H33 O4 N1 S1	372.2203	372.22067	0.261451	372.2204	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1306	0	1546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10038	0	0	0	0	2464	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	939	0	0	0	0	0	1259	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	306864	0	0	0	0	0	Organosulfur	0.21052632	1.7368422	0.05263158
12	C15 H33 O9 N1	372.2228	372.2233	-0.15608157	372.22275	1054514	851803	1145107	1011533	55639	40176	131813	29821	62050	257359	1924305	8076	66796	84157	20578	15501	9698	31434	16081	113325	104723	126622	16071	53019	33555	48919	88950	2866614	23530	36223	16496	13097	23112	9024	46435	24549	14957	30287	9738	1784273	1183837	29017	157884	10103	16744	2147640	3547735	37938	17086	25082	1136928	989897	22107	37158	45964	12720	63877	56477	5435257	62728	771270	3401471	153286	25087	97810	149793	152961	9724	552478	267803	306059	33431	9126	23045	7653	12930	30844	8533	22959	1752817	25431	140681	64842	41516	40080	87349	15760	45797	21123	15331	181249	200137	52622	730689	142136	12354	1183969	1378837	71695	19762	36601	24353	8997	292471	91708478	18354	57323	44740	23331	51806	Lipid	0.6	2.2	0.06666667
14	C15 H33 O9 N1	372.2228	372.2231	-0.37526512	372.22266	0	2291	0	1396	0	0	2138	0	0	0	3045	0	0	1365	1935	0	0	0	0	0	0	0	1305	0	0	0	0	9775	0	0	0	0	0	0	0	0	1538	1504	0	0	0	1007	5310	2945	3452	2074	0	2770	0	0	1903	0	1137	4992	0	1082	1567	0	7040	6962	0	3510	0	0	1464	0	0	0	0	1838	0	0	0	1583	0	0	3905	0	0	0	0	0	0	0	1384	0	0	0	0	0	0	2235	0	0	0	2667	0	2516	1117	0	0	1950	0	4781	88844	0	2082	3081	0	0	Lipid	0.6	2.2	0.06666667
14	C19 H33 O6 N1	372.23807	372.23843	-0.20260857	372.23798	5135	6078	4092	3591	2638	2076	6226	7531	1863	0	2169	2188	2444	3129	3884	7242	7954	2770	4589	0	2214	0	6155	4799	3105	0	5817	0	7351	10817	4952	10831	11551	8720	2421	8309	8357	3272	10440	0	0	5974	0	0	0	1765	0	0	8235	3688	4525	5109	2952	0	3009	4070	890	6897	0	0	0	0	2428	1944	3145	3667	1827	6385	0	1797	1628	3006	8290	10262	12638	8007	0	3917	6549	0	3828	1016	2901	923	3551	0	11173	16984	10565	28948	13826	4178	9545	0	1875	0	6237	8679	2224	5059	8174	6120	4887	4127	0	7372	3080	0	2746	1453	Lipid	0.31578946	1.7368422	0.05263158
4	C19 H33 O6 N1	372.23807	372.23868	-0.19455543	372.238	10062	9661	8183	7778	1373	1792	7538	12644	590	4398	2387	6037	844	1571	6379	13598	16835	1227	3314	5573	5831	13111	6403	12531	8242	867	9519	0	10808	12043	9899	10645	9545	6262	6715	11410	9703	5843	20949	3956	5430	5644	0	0	0	6073	7423	0	16323	13282	9477	8072	3409	0	793	571	2898	15219	1210	2560	12154	2448	666	1158	2111	2634	5785	19240	875	1924	0	8105	7749	11906	14580	9533	0	6730	11612	6301	8549	3369	4847	3495	962	1913	15862	2611	5705	43366	21702	13761	21071	6349	8663	0	8772	10405	761	826	1036	9496	7258	11243	0	11056	690	0	11286	832	Lipid	0.31578946	1.7368422	0.05263158
6	C19 H33 O6 N1	372.23807	372.2386	-0.21372235	372.23798	9312	9833	7880	8291	1155	2755	8466	15643	866	4715	1958	7554	2414	2383	6715	16163	11765	3818	4004	7352	3575	9119	4434	9115	7212	2529	9078	3459	15068	12876	13954	14612	14746	12865	6509	11719	14053	7254	17400	2137	1839	5426	0	0	0	3163	2394	0	20259	9845	8717	8376	3622	0	1633	745	2269	16637	0	590	18642	0	1551	1029	2204	2717	6072	18155	0	4011	2302	11116	10089	17932	14743	11350	0	7732	6899	4896	2782	1441	1852	2275	642	2564	18602	2885	4973	25085	30018	14755	10450	2671	4345	0	8859	6663	1265	575	1202	15811	6250	10831	0	7508	1166	0	7272	1903	Lipid	0.31578946	1.7368422	0.05263158
8	C19 H33 O6 N1	372.23807	372.23853	-0.22842266	372.23798	16588	13579	13387	14828	1951	3570	8118	60426	2386	7226	3183	13949	1518	2427	8040	40464	9435	2694	5231	7376	5215	9844	3949	7189	11063	693	7778	3256	64544	69092	56452	38483	16371	20049	9762	52172	17646	6750	7810	1603	2592	3574	744	0	0	0	4928	0	76104	48032	17411	14775	2130	0	3067	973	1249	50986	0	0	42324	0	1647	1864	4414	2472	7243	14548	0	5020	3671	36031	32940	56373	10565	54890	0	19854	5183	3722	2752	1420	1174	2402	0	0	15741	1859	5359	24317	21510	17858	13187	3536	5471	0	14776	15130	1200	1454	0	13270	10141	9330	0	10465	1635	0	6840	2160	Lipid	0.31578946	1.7368422	0.05263158
18	C19 H33 O6 N1	372.23807	372.23843	-0.21505708	372.23798	21195	17312	19326	15866	17805	10212	64981	24915	8777	4431	8300	15461	23779	15945	17628	33583	36610	23260	24874	11721	8143	13621	21034	16337	19851	17968	43983	12187	24608	23257	22750	23572	28055	22593	9022	33377	24819	13907	28886	3544	8239	22468	2576	0	0	8612	10967	0	29400	21105	21633	20591	16999	595	20364	19573	12809	31134	10310	10045	29340	4465	15663	13619	14624	22814	24404	33539	5987	3597	8316	15805	19571	27070	36204	20297	0	13703	18754	12824	12306	7385	78655	51411	21339	16795	29492	17516	13131	28877	35889	24847	29349	9429	10212	0	23254	28152	13658	26368	42654	30289	14416	13730	10497	23349	13955	0	21290	12504	Lipid	0.31578946	1.7368422	0.05263158
24	C19 H33 O6 N1	372.23807	372.2384	-0.1897253	372.238	37113	35104	36039	36212	51156	37451	40670	32497	31290	41000	15297	17342	75118	52622	33962	32119	31859	61257	79071	29936	27909	25288	21201	18262	28213	8135	35297	26531	39259	35568	30187	35385	52553	37322	30516	53723	53298	25739	31665	29614	15761	32647	6742	0	0	20019	18178	0	44832	28201	34435	33222	43571	4615	52877	35546	23366	42702	28689	14729	36761	18624	46703	39861	35768	101612	60348	37348	4203	19136	10118	32041	30631	34750	19221	31784	0	25155	23183	25392	18432	18560	33815	15382	28324	31568	28529	22039	36317	21463	76848	67704	42784	17466	34394	0	36647	39000	27993	28944	32234	55633	17899	40391	35496	29890	25721	2164	17854	52382	Lipid	0.31578946	1.7368422	0.05263158
14	C23 H30 N3 Na1	372.24103	372.24155	-0.21500239	372.24094	1736	2058	2084	0	0	0	0	0	0	10511	6699	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2579	0	0	0	0	1648	0	0	2793	0	0	0	0	0	0	0	1416	3622	0	0	0	0	0	0	187424	16473	0	13227	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4523	0	0	0	0	0	0	0	0	0	0	3092	0	0	1774	1932	0	0	0	0	0	76898	362844	0	0	0	0	0	Unclassified	0.0	1.3043479	0.13043478
16	C23 H33 O3 N1	372.25333	372.25388	-0.22369592	372.25323	2055	0	0	0	0	0	0	0	0	0	2190	1750	0	0	0	4308	0	0	0	2093	2537	0	0	3667	1812	3031	2319	2114	0	4103	1145	0	2667	2859	0	3496	2282	0	0	0	0	0	0	0	0	0	0	0	3359	1789	0	0	0	0	0	0	0	3529	0	0	0	0	0	0	0	0	0	4530	0	0	2144	0	2260	2756	1849	3777	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4574	0	0	1549	4961	0	0	2425	0	0	0	1582	1330	0	0	27998	0	0	0	0	Lipid	0.13043478	1.4347826	0.04347826
24	C23 H33 O3 N1	372.25333	372.2536	-0.23775497	372.25323	3559	4436	5103	4502	0	1512	2501	3834	0	0	2412	2510	0	5403	2238	8333	13788	0	1640	2255	1529	2381	1803	4068	5406	9479	2906	2245	6309	6695	5937	6202	4303	5015	2674	7077	5395	2854	11462	1792	5985	3835	0	0	0	2198	1835	0	8096	6059	6175	5337	1239	0	1322	0	924	5972	1164	4015	8920	1522	0	979	0	1478	2367	15362	5726	4367	8413	4005	6579	6803	5811	6927	0	2475	3826	4277	1459	935	2401	2687	0	0	9469	2377	3014	32846	5190	3461	6031	2797	1483	0	3772	3834	1045	1279	0	5486	1915	1926	0	8699	0	0	5441	0	Lipid	0.13043478	1.4347826	0.04347826
22	C23 H33 O3 N1	372.25333	372.25366	-0.12955667	372.25327	0	1714	1343	1708	0	0	0	0	1138	0	1842	1113	0	0	1116	2822	4169	0	0	1855	2082	0	0	0	1549	1760	1452	0	0	1907	0	0	0	0	0	0	0	1016	3609	0	3424	0	0	0	0	0	0	0	1196	0	1558	0	1393	0	0	0	0	0	0	1542	2587	0	0	0	0	0	1217	7449	0	1833	6300	0	0	1165	2471	2172	0	0	1534	1393	1334	1062	1561	1501	0	0	3460	1072	0	26883	3577	0	3606	0	0	0	0	1419	0	0	0	1852	0	1152	0	2533	0	0	4081	0	Lipid	0.13043478	1.4347826	0.04347826
10	C23 H33 O3 N1	372.25333	372.25372	-0.27334344	372.2532	14457	12852	11214	11915	0	1284	1283	46413	0	4999	2095	5181	0	0	7743	26131	3100	0	0	7709	6540	0	2971	10741	10363	2712	3606	2776	96329	38879	40866	123713	11819	23034	4056	133187	15796	2210	2097	0	0	3526	0	0	0	0	0	0	121879	54964	13071	12799	0	0	0	0	0	17559	0	0	21071	0	0	0	0	0	1137	16086	0	2472	0	11004	20381	28687	415520	30458	0	5273	1629	0	1419	0	0	1948	0	0	0	2814	3576	17177	5346	0	20752	1186	4815	0	10029	12460	0	0	0	13807	5800	0	0	155575	0	0	1552	0	Lipid	0.13043478	1.4347826	0.04347826
8	C23 H33 O3 N1	372.25333	372.25378	-0.23172247	372.25323	4731	3512	3737	4062	0	0	1920	14475	0	4086	0	5023	0	0	4606	29503	7943	0	968	6700	4450	0	3477	7693	8707	0	3693	0	11386	8983	12954	10371	10036	10748	1858	12568	12439	4088	5410	6669	0	973	0	0	0	0	0	0	11731	10894	4899	5335	0	0	0	0	0	16890	0	0	27247	0	0	0	0	0	1377	12592	0	0	0	13212	11061	10327	5764	8685	0	7796	1588	0	1637	0	0	1091	0	0	0	1357	2342	8973	0	0	8255	0	3418	0	2889	4822	0	0	0	8501	4419	1844	0	14745	0	0	2147	0	Lipid	0.13043478	1.4347826	0.04347826
12	C23 H33 O3 N1	372.25333	372.25375	-0.16876648	372.25327	10949	13888	12596	14527	0	1125	0	25071	0	5728	2864	16850	0	0	9792	75585	5977	0	0	4449	4287	0	3896	10128	64386	2005	8420	0	29018	20836	27977	22155	10182	16653	3958	22264	9668	14745	1937	1406	0	1147	0	0	0	2447	0	0	23501	8907	14943	10574	876	0	0	0	1204	69759	0	0	42486	0	0	0	1026	0	1571	31839	0	6384	3380	13504	22692	30170	213771	17448	0	21739	1779	0	1325	0	0	1136	0	0	2066	1429	1961	104695	7186	0	160590	0	4830	0	16239	11483	0	0	0	6361	18000	0	0	584036	0	0	6186	0	Lipid	0.13043478	1.4347826	0.04347826
14	C23 H33 O3 N1	372.25333	372.25366	-0.23908806	372.25323	7206	8008	10526	12991	0	0	4521	19499	0	3269	3187	13058	0	0	1581	13970	0	0	0	4932	0	0	0	6871	6821	5206	15431	0	13872	98282	29983	25700	4456	19958	3539	62725	6181	2148	0	1683	0	1782	0	0	0	0	0	0	8863	58116	8177	6754	0	0	0	0	0	13829	0	0	0	0	0	0	0	0	0	10301	0	3827	2280	55090	88066	435043	9677	65802	0	14852	0	0	2086	0	0	1419	0	0	1386	0	0	177680	3549	0	36476	0	1802	0	8580	9293	0	0	0	2413	9653	0	0	88728	0	0	0	0	Lipid	0.13043478	1.4347826	0.04347826
10	C20 H37 O5 N1	372.27444	372.27457	-0.25950506	372.27435	1460	0	0	0	0	0	37771	1212	0	0	0	1650	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21612	0	1541	0	3656	2345	2221	1842	0	1737	1891	0	0	0	0	0	0	0	0	0	0	0	1636	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3391	0	0	0	0	0	0	1626	0	1642	1503	1243	0	1487	0	0	0	0	0	0	0	0	970	0	0	2216	3504	0	0	0	0	0	0	0	0	0	0	2364	1341	0	0	1225	0	0	996	0	Lipid	0.25	1.85	0.05
24	C20 H37 O5 N1	372.27444	372.27478	-0.17365772	372.27438	8900	9374	10036	12748	6861	6126	153817	8250	3135	6068	4269	3653	7306	34597	2549	10437	12205	3628	5762	3656	1393	2398	1393	23133	4862	7428	106836	10950	9277	13257	6840	6803	8166	6332	4697	8860	4939	3336	14046	2019	3499	8350	5611	0	0	6674	3785	0	13587	11772	8366	6606	4017	0	4936	4842	4930	7539	2469	7943	13683	1484	12519	2944	18504	15827	15767	13765	1232	2147	4002	10951	7800	8387	7255	11381	0	3121	1317	24154	3294	8529	42926	36149	2370	3327	3764	4053	4987	11869	28293	20432	5155	3179	4420	0	8702	10412	4710	2596	3750	4060	3484	5633	14738	11526	6440	0	3151	9503	Lipid	0.25	1.85	0.05
22	C20 H37 O5 N1	372.27444	372.27484	-0.10954688	372.2744	1806	0	2998	1602	0	1264	48417	1427	0	0	0	0	0	12269	0	2657	4856	0	0	0	0	0	0	2656	2138	2950	43615	2606	0	1546	1106	0	2406	0	0	1445	2268	0	3716	0	2001	2991	0	0	0	1987	0	0	2603	4570	1873	1208	0	848	0	1382	1101	3728	0	3445	1768	0	1786	0	5204	3075	3241	3703	0	0	0	0	1537	1946	3488	3643	0	0	1520	6036	0	0	15499	19308	0	0	2042	1609	0	7163	6882	4510	0	0	0	0	2979	0	0	0	1777	2136	1175	1290	1179	1582	1365	0	1315	1650	Lipid	0.25	1.85	0.05
8	C20 H37 O5 N1	372.27444	372.2749	-0.102749646	372.2744	2265	2223	2839	2147	0	0	2703	3258	0	958	0	2613	0	0	779	1853	3640	0	1136	3562	2825	0	0	1377	1704	0	3978	0	12049	10338	7009	13303	8800	9035	1786	8452	10027	1014	2911	0	0	2100	0	0	0	0	0	0	20394	3778	2871	2578	815	0	0	0	629	2195	0	0	0	0	0	1150	0	0	2482	2940	0	0	0	6041	5887	2101	11482	10066	0	3012	0	0	0	0	0	0	0	0	2451	1595	4107	3956	0	0	2910	0	0	0	2605	1798	0	0	0	9350	1600	3106	0	0	0	0	735	0	Lipid	0.25	1.85	0.05
14	C19 H37 O4 N3	372.28568	372.28607	-0.015003796	372.28568	7302	4783	4651	7888	0	7923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	78175	0	0	0	0	1873	0	0	0	0	0	0	0	0	2156	0	0	0	0	0	0	0	0	4821	5198	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	128393	0	0	0	0	0	0	0	0	0	0	873308	399493	0	10350	2276	0	5683	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.21052632	1.9473684	0.15789473
26	C21 H41 O4 N1	372.31082	372.31104	-0.2033967	372.31076	3444	0	1995	0	2011	0	65725	0	0	0	6878	0	0	76683	0	0	0	0	0	0	0	0	0	0	0	10516	70093	4055	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1992	0	0	0	0	9628	3857	0	0	3156	9015	0	5295	0	65851	0	5752	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4072	7575	7734	0	10976	0	0	0	0	0	0	0	0	0	0	2467	0	10140	0	0	0	0	7010	0	0	0	0	0	2843	Lipid	0.1904762	1.9523809	0.04761905
28	C17 H8 O10	373.019	373.01932	-0.14395596	373.01898	4645	5032	4914	4180	11988	7421	3316	0	9467	0	0	2963	15864	9444	3089	2195	0	24178	21350	0	0	1286	4449	2717	3383	0	4135	0	0	0	1930	838	3976	0	0	0	3637	5612	1718	0	0	2870	1358	0	0	0	0	1388	1980	0	4255	4437	8586	0	11144	5987	4267	2512	0	0	3074	0	21251	10509	6718	14624	6661	1669	0	0	0	0	0	0	0	0	0	1738	11318	0	10606	0	0	0	18704	10685	6738	5939	6937	4202	0	0	3324	0	0	0	4677	4024	4490	9754	10600	3256	1958	0	0	2261	8447	0	2992	19826	Phytochemical	0.5882353	0.47058824	0.0
26	C17 H8 O10	373.019	373.01926	-0.18146552	373.01895	4101	3535	2758	4026	10856	4396	0	0	9183	0	0	0	17748	8912	0	0	0	26093	24954	0	0	0	0	0	0	0	2630	0	0	0	0	0	0	0	0	0	1560	3277	2269	0	0	0	0	0	0	0	0	0	0	0	3544	4544	5879	0	13483	7514	3350	0	0	0	0	0	20051	10923	5256	13109	2718	0	0	0	0	0	0	0	0	0	0	0	7499	0	11106	0	0	0	18962	8692	8312	3054	5658	1431	0	0	0	0	0	0	3137	0	5360	8706	11258	0	0	0	0	0	8424	0	0	24065	Phytochemical	0.5882353	0.47058824	0.0
28	C18 H12 O9	373.05542	373.05576	-0.18147494	373.05533	5577	7012	6719	7577	16239	5871	3443	0	12065	5523	1669	3301	28032	11473	4582	4499	0	23740	24592	3255	2535	8827	5681	4001	4589	0	3117	0	0	0	4067	959	2977	0	6343	0	3185	4591	2444	1616	3742	2824	0	0	0	3532	3166	1597	2908	0	6194	5799	11015	0	14777	11418	3767	3766	1895	2038	5794	2982	29899	14443	4422	16876	6390	1240	0	872	3327	0	1154	0	0	1016	0	1816	10724	3855	9780	1484	1507	0	18701	7957	9327	7645	5410	4038	1808	2747	6053	8792	10363	0	6133	6985	9511	16221	16244	3719	1513	0	2914	2284	17280	0	4351	26057	Phytochemical	0.5	0.6666667	0.0
12	C18 H12 O9	373.05542	373.0559	-0.067804925	373.0554	7702	13437	7987	10376	18951	8447	0	1199	24561	22109	22210	3585	26131	7869	3534	4114	0	21702	26795	17444	19264	33975	7958	4865	0	1344	0	0	0	0	1256	1742	4346	0	33656	0	4551	3555	4540	4624	12130	6284	0	0	0	3342	11361	0	2460	2307	8999	12969	12665	0	20753	21577	9748	5126	0	0	0	8024	44048	25726	9704	26145	5463	0	0	4207	10381	1618	1508	0	1755	1740	0	2556	13641	16186	11554	7706	0	1291	23513	8906	7819	10029	10463	9765	0	4378	6212	37927	32008	0	12863	9560	24027	28378	26876	2068	3281	2302	0	3097	19096	0	2519	31911	Phytochemical	0.5	0.6666667	0.0
16	C18 H12 O9	373.05542	373.05585	-0.10497408	373.05536	28907	25438	20960	27274	45684	27866	6361	3147	51011	38839	24609	9057	85209	19390	11923	7823	5318	65151	60550	24192	26898	67403	22057	7898	6133	4113	5507	7418	2926	1582	3909	0	8372	4012	51502	1662	10844	15913	5295	14271	20750	12961	2012	0	336	11759	22673	771	5095	2758	20040	24639	40768	276	47899	44982	20585	13138	11692	10358	11826	14698	80971	52116	16202	64864	23695	5128	9397	8561	13328	2132	1617	0	4851	2482	402	8862	29301	48989	24722	16519	3744	8020	63177	27210	32509	24768	20264	0	10504	12806	0	66034	57821	582	28242	20907	38116	55956	56584	11279	8981	7925	16940	0	38824	616	9353	72758	Phytochemical	0.5	0.6666667	0.0
18	C18 H12 O9	373.05542	373.05585	-0.06532822	373.0554	26707	16068	19182	15156	48940	21888	8358	6656	48286	15468	17058	5896	73110	26401	15628	11939	5236	66305	44967	17824	14766	39849	20877	13567	9417	4407	10178	4539	4112	1873	2745	3871	11470	0	28491	2560	12537	12827	4292	14050	16469	13230	940	373	664	8898	14603	1247	6206	2586	22131	18204	32677	505	46772	43367	25379	11860	5444	9264	9573	12059	90103	44831	20030	64924	19862	7936	7519	5641	8558	2492	2003	1981	6856	0	765	4925	38631	28958	34476	21682	4919	5686	65053	29142	31688	18806	22565	12747	10051	14119	11193	42963	42347	462	19336	16876	34623	55633	55443	11012	7898	6714	8414	10459	37068	514	12225	70769	Phytochemical	0.5	0.6666667	0.0
22	C18 H12 O9	373.05542	373.05588	-0.05128151	373.0554	10617	6999	8847	9216	24763	11355	3401	2247	21306	6400	3574	4128	26705	12056	5793	4359	1551	23531	22701	2523	4981	13527	8217	0	2272	1786	1913	0	0	1212	4374	0	3676	1307	3852	1576	5143	5352	2949	3846	5730	6723	0	0	612	4393	5371	0	2249	1122	9467	8253	15065	437	27349	18412	11014	2309	0	2692	5193	1659	35611	24527	7798	28604	8198	1509	2396	0	2025	0	0	0	0	0	544	3524	19216	7111	16138	3608	0	0	34509	20609	11365	7596	8664	3655	0	0	4772	17578	12386	0	8477	9903	12566	31142	21806	2557	4049	1537	5340	2218	15539	0	4329	44698	Phytochemical	0.5	0.6666667	0.0
24	C18 H12 O9	373.05542	373.05576	-0.12631004	373.05536	6471	5776	6381	7126	20110	6938	2786	0	16284	4082	0	5358	28283	7783	5632	4969	2788	21191	26022	3019	2214	8025	6066	3194	2529	0	2796	0	1191	0	2567	0	3112	0	5182	0	3225	5123	2124	2228	3823	4064	0	0	0	3401	3763	0	2876	1260	5651	5646	12888	0	19955	12907	6486	2892	1922	1507	4672	2872	35476	18042	3911	21405	4955	2719	1506	1904	2868	1339	0	0	0	1319	0	1901	13652	6102	13273	1301	1277	1336	30697	11623	9208	6534	7040	4457	1706	2126	5052	7847	8544	0	6857	4055	12110	23075	17793	3645	4275	1251	1942	2466	13369	0	2695	33936	Phytochemical	0.5	0.6666667	0.0
20	C18 H12 O9	373.05542	373.05582	-0.06383984	373.0554	10851	14533	12238	11539	28933	20231	6381	0	26059	17848	3998	3784	54343	18518	11844	4827	2837	44407	39949	5661	7329	29534	12785	6427	5020	2769	7789	3340	2574	1978	2994	2663	6700	2823	14547	0	8427	8677	2944	6140	6142	11612	1947	0	831	7189	12145	2685	4508	1403	17638	10784	20383	673	28541	31589	16627	9515	5483	3253	7760	6855	57086	36547	16041	46603	12349	6279	2633	3145	2544	1921	1319	0	2267	0	592	3725	25412	19202	20863	7349	1626	0	49460	25336	21626	13870	16896	7761	5853	4127	13691	28560	20480	942	10419	15464	23068	40883	41000	7340	3917	2567	8698	6570	29987	1456	7185	63609	Phytochemical	0.5	0.6666667	0.0
26	C18 H12 O9	373.05542	373.0557	-0.16986158	373.05536	5115	6982	6770	5190	16339	8328	1528	0	14623	4984	0	4443	27437	10986	0	0	0	27374	19258	0	0	9757	6278	0	0	0	2997	0	0	0	3564	0	2233	0	4505	0	3988	4258	2574	0	2150	0	0	0	0	0	0	0	1997	0	6326	7180	11547	0	18995	11455	5809	3170	0	0	0	0	29790	12989	3682	16769	4275	2209	0	0	3492	0	0	0	0	0	0	0	12736	5162	16966	0	0	0	23193	10341	9959	8185	9054	2929	2377	2244	4505	7935	12314	0	5545	6424	9113	16041	14975	0	2968	0	0	3169	10462	0	4921	32850	Phytochemical	0.5	0.6666667	0.0
14	C18 H12 O9	373.05542	373.05588	-0.08129932	373.0554	20698	19345	19388	20543	38178	19172	2601	2975	45652	47076	32161	6787	64720	16631	7158	6017	6284	46402	39584	23381	25970	50440	17521	9195	2217	2844	4399	9078	2710	2116	3720	0	11056	2988	59864	1516	9214	9322	6315	12912	23305	13605	0	0	311	11117	23546	732	4445	2352	21482	21166	28019	0	42723	36142	19077	8285	6292	7103	0	8830	70727	42412	16729	45216	18548	3009	0	3949	14268	4357	1250	0	5541	2294	0	7150	21381	41267	19622	12226	1993	6623	47993	21943	20752	15567	25891	17616	6040	8600	11296	67210	43985	0	26265	20116	32587	50656	47434	5877	7968	4091	0	7160	31191	0	4786	54406	Phytochemical	0.5	0.6666667	0.0
12	C15 H16 O9 S1	373.05878	373.05923	-0.14410353	373.05872	2149	3906	2283	2920	6330	2461	0	0	6870	15833	15481	0	8137	1556	0	0	0	5952	7019	4372	6916	16104	0	0	0	2251	0	0	0	0	0	0	2650	0	16993	0	0	0	0	4532	12163	0	0	0	0	0	0	0	0	0	3134	2205	2864	0	4461	5460	1461	0	0	0	0	7689	4615	6157	1365	5647	1931	0	0	4044	7116	0	0	0	0	0	0	0	1508	21017	1691	1005	1714	2120	3216	1971	1859	2407	3174	0	0	2754	2414	28096	23901	0	2298	0	5055	5957	5010	0	0	0	0	0	4486	0	1151	9400	Organosulfur	0.6	1.0666667	0.0
14	C15 H16 O9 S1	373.05878	373.05923	-0.057158325	373.05875	3976	3901	3211	3942	6278	4460	0	0	5919	16305	11434	0	14161	2154	0	0	0	9539	5075	5237	5335	24040	0	0	0	0	0	9623	0	0	0	0	1722	0	24762	0	0	0	0	8301	6090	2848	0	0	0	0	0	0	0	0	4321	3122	4247	0	3294	6596	2271	0	0	0	0	6287	7673	5324	1875	12501	2289	0	0	4603	4131	0	0	0	0	0	0	0	0	0	1328	2003	1589	1399	2790	0	1776	4337	4913	0	4566	8608	2194	22410	23569	0	2044	4064	4127	5037	3122	2271	0	0	0	0	6460	0	0	14942	Organosulfur	0.6	1.0666667	0.0
16	C17 H12 O8 N2	373.06665	373.06708	-0.022332348	373.06662	5228	5221	5154	5046	6354	2352	1136	2651	7896	7589	4150	2028	8174	2559	2175	2655	0	5957	4480	2082	10276	24003	2410	3285	0	0	0	0	0	0	1421	0	0	1331	14854	0	3659	1539	4358	8461	19060	3894	0	0	0	2822	11280	0	0	0	4082	6773	5144	0	7709	4686	3043	0	2064	3380	0	8037	10626	10637	3704	5271	2742	1561	0	5077	2441	0	0	0	0	1479	0	3296	4700	19307	2291	6438	1869	3363	7018	5200	6494	5195	4401	0	4200	4239	0	32689	29095	0	5125	3753	1971	5220	3857	3088	1127	0	4352	0	3273	0	2912	14485	Phytochemical	0.47058824	0.7058824	0.11764706
26	C17 H12 O8 N2	373.06665	373.0669	-0.14465092	373.0666	6800	8674	5447	3583	3237	0	4256	0	0	3366	0	4661	0	0	6578	11699	20865	0	0	0	0	12176	6298	6153	0	0	7906	0	0	0	5854	0	3609	0	3544	0	2823	8761	16762	3240	6151	0	0	0	0	0	0	0	4981	0	6047	7231	0	0	0	0	0	6408	2683	5226	8482	3308	3022	3025	0	2704	3845	22224	0	0	0	0	0	0	21356	4329	0	19412	12184	0	18596	3003	3701	0	0	0	10502	4431	5999	25602	1892	0	13871	6994	7242	0	6229	0	0	0	0	0	5017	0	0	7825	0	0	17618	4717	Phytochemical	0.47058824	0.7058824	0.11764706
14	C17 H12 O8 N2	373.06665	373.0671	-0.08220393	373.06662	4086	2798	1629	3611	0	0	0	0	7559	10161	2746	1674	10790	2241	1259	0	0	5302	5795	3524	10182	20757	1266	0	2312	0	1836	0	0	0	0	0	3948	0	20714	0	2202	2407	3005	7151	21851	2279	0	0	0	3670	8366	0	0	0	3126	3148	4689	0	7082	7321	2501	3004	0	0	0	6953	15291	6112	3218	5821	2736	1814	0	3475	5979	1028	0	0	0	0	0	1151	4050	0	2678	1983	0	3328	5170	0	1625	3467	2980	8428	3068	3957	3813	23050	12260	0	2848	5089	3003	6766	7011	3473	0	3319	0	3910	5746	0	2398	12642	Phytochemical	0.47058824	0.7058824	0.11764706
16	C15 H16 O11	373.07654	373.07703	0.03326871	373.07654	5455	5437	6136	4905	14387	10287	0	0	20849	2212	6309	2773	31654	6103	4331	2131	3820	19850	20179	0	3152	8330	3078	0	1446	0	1196	0	0	0	2033	0	0	0	5921	0	3314	2508	1661	1552	5450	6810	293	0	0	0	4521	0	2098	1202	5127	6515	8034	0	24850	14578	7966	2375	2625	1569	0	0	40943	31976	4832	18348	5415	2096	0	0	3072	1400	0	0	0	0	0	1739	5469	0	4555	0	0	0	14498	4606	2924	4798	8760	0	0	4391	0	4449	3581	0	4639	5101	10166	15535	13971	2083	0	0	0	0	10442	0	1397	45515	Phytochemical	0.73333335	1.0666667	0.0
6	C15 H16 O11	373.07654	373.07712	-0.089236066	373.0765	2787	3313	3465	0	10843	3728	1089	894	11652	1922	2130	1637	26669	3564	1674	1240	1373	12242	12007	1457	2746	3126	2558	1530	0	0	0	0	0	0	0	693	1439	711	1652	1165	1871	1036	1181	0	0	4077	0	0	0	0	0	0	0	0	3730	4339	6858	0	12229	17905	6479	0	1363	1127	0	0	23750	16831	3590	15896	3508	2758	0	0	0	945	1354	0	0	616	0	896	3660	0	1686	0	302	0	16150	5100	2440	4596	5043	2266	0	0	1563	3947	2051	0	2791	5056	9112	22629	22879	2194	1058	0	0	1884	12563	0	778	27785	Phytochemical	0.73333335	1.0666667	0.0
8	C15 H16 O11	373.07654	373.07712	-0.036807038	373.07654	10682	10139	8069	10712	26150	11068	1885	2536	29432	4328	8679	6088	58362	6828	3823	3135	5210	25108	35849	6568	8630	11373	6435	1452	642	0	1810	0	1076	1834	1637	2411	6085	2332	10673	1589	5381	3890	3739	2709	7583	11658	0	0	0	1738	3654	0	1511	1838	10839	11399	18793	0	32029	38578	13523	2161	3108	4775	3835	2702	68707	41460	11964	37366	13068	4562	0	0	0	2148	1721	1080	3174	2475	0	3542	9728	7299	5184	916	677	0	35744	10628	6550	15184	11594	4681	0	7679	4761	17657	6658	0	9129	13079	22171	62203	50664	9511	4473	4351	0	3169	24738	0	1771	66408	Phytochemical	0.73333335	1.0666667	0.0
10	C15 H16 O11	373.07654	373.0771	-0.02865582	373.07654	17241	16690	11514	14114	38681	20348	3362	2757	51233	7726	14857	7085	94697	12439	5038	4242	6397	45049	49599	5810	20085	18459	13252	4516	1274	0	3474	0	1727	4366	2534	3109	8689	2169	10764	2783	11892	7760	5284	3452	8923	17263	0	0	0	2315	6764	0	3425	3433	17875	12284	27482	0	72314	54566	18721	3228	3756	5536	0	5443	95371	80229	17116	56157	19939	7412	0	1832	3658	1038	4107	1762	7505	3013	0	6039	11945	9457	10259	3762	1362	961	52258	12576	11471	16921	15620	4202	3899	7713	6265	23704	11257	0	15772	16673	39415	62434	55228	12493	7975	3735	0	8070	33555	0	1900	107005	Phytochemical	0.73333335	1.0666667	0.0
14	C15 H16 O11	373.07654	373.0771	0.03133071	373.07654	13322	9760	13801	10809	33174	25735	2784	1787	48519	5851	7252	6755	73295	17240	5531	0	3691	45795	43446	4188	10818	8446	13609	0	0	0	0	0	0	3051	4318	0	5521	1293	7711	0	8935	6919	3360	0	0	13520	0	0	0	2193	0	0	2497	1571	10805	11738	19574	0	66265	37653	11895	0	10950	0	0	3818	88223	67374	12647	38936	13913	5322	0	1968	3372	2544	1575	1752	1441	3088	0	5824	5737	0	5394	2705	0	0	23989	10213	5569	15974	15952	0	0	0	4509	12371	4524	0	8449	12177	27210	36087	26629	4456	6177	2790	0	7364	27206	0	2679	83515	Phytochemical	0.73333335	1.0666667	0.0
14	C19 H16 O8	373.0918	373.0923	-0.06515189	373.09177	125261	126003	106560	117266	128702	69941	51383	59219	140372	336102	211671	44626	151735	72269	63012	72890	43786	170320	150118	217026	243884	216257	76548	74896	45558	209877	50789	143033	43926	42213	43570	60449	65866	39604	394182	43944	67531	63125	48735	156185	174194	64230	0	364	528	131616	192168	830	55485	41977	115167	114906	86863	712	125582	102179	63726	79691	74811	62338	81335	118831	191877	122084	56531	143802	69454	47746	274079	268090	319297	48299	42752	31529	41698	50613	475	39925	102255	151024	86185	115466	42562	111487	131130	76120	103538	66142	74090	86814	79517	84502	89419	187648	204815	1746	125837	109821	118681	131663	122357	71648	42598	75080	123108	56505	95087	565	53893	148727	Phytochemical	0.42105263	0.84210527	0.0
16	C19 H16 O8	373.0918	373.09225	-0.072356395	373.09177	145081	148568	135668	135740	174115	110481	57257	66086	188381	442875	237286	49877	236509	94390	77227	83994	52660	232267	213664	288432	300571	254935	90776	85381	68967	281340	51015	178744	53306	48013	54503	47698	88772	52169	520262	51034	82921	66553	57084	204407	197907	73005	5294	929	938	158188	180304	1584	72360	54496	138998	152020	122169	1297	182355	147508	88833	86556	73960	59118	100753	144457	264374	163810	75967	196354	100613	54971	289428	359256	368623	52774	48991	32072	47293	55451	926	53247	119435	194551	100279	157601	51798	152888	182289	95603	125231	88129	97699	78806	106025	124707	106424	237660	322209	1935	170232	134751	152958	166222	137074	68939	47594	72925	108253	63434	133076	1008	68341	247043	Phytochemical	0.42105263	0.84210527	0.0
24	C19 H16 O8	373.0918	373.09213	-0.15077667	373.09174	17976	24070	18458	16148	34556	14826	4883	3369	31449	41815	19109	5383	40570	16612	7615	5753	3311	40154	35469	25595	28125	44350	10580	7722	7872	22190	3275	9289	3000	3534	2670	2792	6228	1842	40018	3842	7694	8424	4964	22398	17622	7451	0	0	0	14256	22485	0	4686	2339	18068	16025	23064	0	34550	26616	10556	5656	6345	4159	8673	15056	58142	27909	12113	39453	10187	3720	27576	42125	43838	3297	1567	1201	3459	2141	0	5788	19538	28840	21105	15817	5221	13535	44956	18491	20561	10082	15388	7589	6842	8246	6815	37313	61866	0	18697	19232	22422	37356	34601	4656	5747	6632	13159	4892	24789	0	5581	51043	Phytochemical	0.42105263	0.84210527	0.0
10	C19 H16 O8	373.0918	373.09232	-0.08643451	373.09177	33297	35949	28912	29150	30122	20765	15011	19581	40397	86759	59380	20984	35622	19910	16513	28525	20965	33205	34550	56209	65945	53698	19844	24316	10499	54808	15754	38785	13300	13907	15445	15302	23109	13992	99964	17401	21700	19601	23705	48286	60359	16866	934	0	330	33265	56980	0	15058	14864	33030	36394	23783	0	35456	23970	15904	25608	18201	24385	24751	31060	44447	38538	11905	35172	18375	23406	72180	71348	106488	17457	16544	10426	17486	16107	0	13668	34197	29795	32871	34282	11506	21160	38272	17287	30123	17858	20298	33327	13070	24694	27124	50910	59831	695	38950	31904	36349	40421	35059	17336	15252	24946	29838	24002	29635	0	15416	39583	Phytochemical	0.42105263	0.84210527	0.0
26	C19 H16 O8	373.0918	373.09216	-0.15855435	373.09174	12230	10118	9261	11182	20010	11591	2069	0	21288	26921	7545	3686	35613	12013	6446	0	0	28316	21914	16352	20872	25962	9674	6955	0	13400	2218	3657	0	0	0	0	3582	0	29448	0	4870	6103	5304	12690	15021	0	0	0	0	11919	16451	0	2092	0	13352	10779	10180	0	27346	17884	6354	4347	4345	3155	4495	8152	30847	19015	3965	20074	5627	2771	19227	25261	26796	0	0	0	0	0	0	3219	13288	15440	16329	10534	2743	5711	23840	9161	11856	6566	5687	3605	6417	6490	6150	22519	40245	0	10693	11009	12269	21385	13544	0	0	8619	9753	4544	10475	0	4985	33034	Phytochemical	0.42105263	0.84210527	0.0
8	C19 H16 O8	373.0918	373.09238	-0.046141513	373.09177	15875	14006	11173	15662	10553	6917	6646	8757	13800	34469	22358	8012	17662	6961	7160	10834	11966	12290	15601	22406	27481	23923	10628	13576	2798	16606	5711	9788	5462	5598	5467	7933	9325	7274	40959	5066	6899	7496	9651	13929	25936	7392	0	0	272	13229	18637	0	6328	7700	12383	14798	8225	0	15179	12944	9118	9778	7253	12613	6739	10165	23369	13166	6978	14153	6930	12358	21350	27965	42074	7055	5875	4540	5991	7637	328	6138	13820	8406	14354	10318	5045	9159	18366	6802	11013	8809	8991	13680	0	0	8984	20891	14959	421	13589	11030	14879	17586	14539	8138	5692	10282	10564	8203	12284	0	5759	20519	Phytochemical	0.42105263	0.84210527	0.0
12	C19 H16 O8	373.0918	373.09232	-0.06453162	373.09177	69780	75951	65101	76997	63345	35307	36738	34375	72001	181799	128639	30430	72461	29224	34827	51738	34870	75186	82734	126722	144578	131693	43080	42942	20906	109061	37727	74529	30703	25804	29615	33007	45494	29661	207179	26713	41507	35148	36803	95454	123194	32864	2144	365	392	84039	106854	636	39210	40173	70736	76526	47294	567	81071	53482	34946	57345	38977	49417	46029	68144	105095	63722	29325	73932	40678	37337	177947	157213	213952	30560	29955	21545	33996	31359	394	27729	60594	61321	47846	66279	30499	53728	72917	38660	54762	31721	41192	61529	45996	51651	63949	110233	110383	1119	82737	75577	85498	65996	67298	38278	31503	45404	69929	42002	63487	0	33210	93852	Phytochemical	0.42105263	0.84210527	0.0
28	C19 H16 O8	373.0918	373.09213	-0.16388276	373.09174	11126	8513	8886	8603	13280	7415	3995	3285	12758	17867	6291	2718	21913	7837	5090	4291	3810	19629	19236	11227	13530	14671	8539	4837	5164	9771	2792	5640	2289	0	2422	2740	3906	2641	20550	0	4979	3915	3170	7459	10853	4771	1662	0	0	7562	9939	1221	3337	0	8519	7365	11256	0	13437	12287	5337	4226	4519	3594	4858	5000	20876	11384	5476	14272	5313	3697	11341	16538	18555	2257	1996	0	0	1787	0	3717	12189	11995	9690	7621	3952	5930	16996	8987	10130	5077	6288	3868	4539	8882	7240	15763	19408	1285	9583	10607	9906	14461	16361	4620	2478	4860	4848	4373	10063	0	4816	17554	Phytochemical	0.42105263	0.84210527	0.0
20	C19 H16 O8	373.0918	373.0922	-0.096840955	373.09177	77412	81102	76790	69249	111718	69167	22779	27269	114975	174605	94981	25840	158192	66992	35969	35240	18899	151483	123270	135654	129906	150647	42217	38032	33908	140255	25907	73517	21727	17478	23042	19540	34317	25170	208424	16398	47320	32481	21456	94657	90183	39544	5230	1148	1494	91098	86043	2469	29483	20601	79490	80743	72278	1796	111119	105231	52448	40350	27918	22890	32643	74978	165325	99395	52566	114644	59753	23887	120427	151558	154470	21741	20157	9044	17071	19889	1216	27686	72436	95408	61030	69471	27566	82496	125494	61150	67799	49406	48721	34509	54855	60837	56181	130811	140864	2214	74075	74604	100583	107825	109641	35563	21908	38020	70741	34052	85176	1527	34495	190410	Phytochemical	0.42105263	0.84210527	0.0
22	C19 H16 O8	373.0918	373.0922	-0.12228208	373.09174	36209	35354	35334	38611	61642	34375	9426	7569	59539	78131	40438	11839	67880	32578	18090	12262	7259	71819	54833	57343	55842	71046	23751	13029	16218	51950	9508	31696	7360	8189	8489	8511	21715	4601	97342	9316	15989	17038	7996	43986	45713	17962	3838	0	1464	42217	48982	0	6947	7787	39788	35958	32661	1498	60916	51425	27995	15161	11813	9654	17381	24182	83068	56531	24711	57820	22753	8846	51440	78969	86115	7335	4963	4675	6211	8156	1540	10997	37432	47352	33115	34853	11132	30475	73920	36609	33919	24061	19585	16308	22702	22743	19138	70211	93272	0	34132	35737	52020	65310	64022	20856	11874	13436	25667	13323	46773	0	16603	95866	Phytochemical	0.42105263	0.84210527	0.0
14	C18 H16 O7 N2	373.10303	373.10352	-0.05918703	373.103	45497	36408	29354	32697	33053	28201	20077	17312	35859	81106	99998	13332	48398	18800	15311	22921	25043	36981	38404	52029	81190	78587	23605	28812	19871	50349	16564	37834	15453	13456	13511	17658	31500	13243	99278	11003	31572	19850	25540	67927	102599	21196	0	0	0	48061	78101	0	21965	14778	35536	30635	28009	0	37183	28091	15350	23154	12498	17905	22270	51457	48159	33000	16412	43327	21573	30728	58323	82152	91918	13235	8578	8524	15836	13582	0	11496	31094	65638	25471	34789	18768	40446	35333	19063	33290	24090	21621	61857	34610	33464	48015	76444	86291	0	28898	31092	24921	35646	33550	24250	13272	25267	31493	27370	22557	0	21513	51452	Phytochemical	0.3888889	0.8888889	0.11111111
20	C18 H16 O7 N2	373.10303	373.10342	-0.08334957	373.103	9171	10758	10621	10793	8344	5718	6760	4767	9841	25349	11807	6571	12185	3215	3672	4390	4549	13027	6708	8917	13968	22652	6529	13207	8131	6085	5294	7693	5353	6347	6767	4676	9054	8710	21274	5305	12089	4870	6848	22064	22304	7186	801	0	0	11611	22130	0	8631	6365	9362	10675	8964	0	9545	7924	6370	16930	5063	9686	9132	12883	14096	8672	5314	10823	10279	9021	12758	11175	18525	4249	6793	3297	7636	7890	0	3880	12089	27391	7419	10609	6147	12903	9014	4895	8003	11391	7074	21688	13580	16147	19924	32748	24814	0	11514	8943	5947	11302	4208	10009	4234	6095	12206	11008	6403	0	7679	7595	Phytochemical	0.3888889	0.8888889	0.11111111
6	C18 H16 O7 N2	373.10303	373.10364	-0.024622422	373.10303	11817	8912	6917	7506	9029	3803	3265	2949	12236	21758	14818	2830	18212	3187	4224	4916	4042	10362	12487	13771	23224	17459	3773	6096	1671	6303	2701	6033	2253	1644	3385	4083	6641	2349	27276	2317	5936	3686	5928	14492	24054	2709	0	0	0	10388	19166	0	4110	2260	8645	7895	6512	0	11127	7681	3962	4902	2137	5285	4658	10263	16924	10016	3042	11633	5299	5215	17806	14009	35655	2626	1618	1914	1955	2215	0	2685	4772	11842	3721	7554	2436	5125	10087	4445	5771	5397	5308	9758	6403	5884	8283	14599	15728	0	7549	6292	8360	12441	10201	5705	2383	5158	10057	5013	7659	0	4237	14622	Phytochemical	0.3888889	0.8888889	0.11111111
10	C18 H16 O7 N2	373.10303	373.10355	-0.05288384	373.103	27490	31303	28638	25612	32536	13240	13381	12954	27628	74616	49175	11452	38879	14127	8675	17645	16387	30580	34032	52408	70153	58725	17576	21185	12592	38041	11172	27330	11216	10317	11921	15595	21711	9789	81892	9947	14486	10869	17758	62594	84770	14183	0	0	310	39567	64168	0	14046	11558	26050	26710	18604	0	35646	23786	12823	22866	9812	19953	20827	45902	49901	26018	12528	32160	13549	21886	76908	76075	107850	7862	10716	6195	9381	12116	0	8859	20624	28781	20774	31990	9696	28316	30214	16534	23987	17704	14332	33183	19894	24565	34352	63802	57669	0	32317	25889	19020	33128	29203	20224	10447	16850	27757	21864	21423	0	13166	46090	Phytochemical	0.3888889	0.8888889	0.11111111
8	C18 H16 O7 N2	373.10303	373.1036	-0.051138688	373.103	19027	21605	16181	18570	17121	9412	4539	8858	21557	44539	30738	8766	31436	5516	8206	10346	9660	17979	22961	35125	48636	37494	9328	9303	3783	18103	8235	17081	8408	4518	7852	7253	12327	6269	58042	5211	11211	6451	10138	33735	57771	7110	0	0	0	28706	50594	0	7374	5650	19589	19075	12044	0	22941	15186	10313	8647	9048	11009	10081	26256	36930	19313	7069	21970	9499	13333	38470	36947	84503	7772	6180	4426	4108	4850	0	5735	15074	20568	7944	20359	6551	16614	19648	6736	13397	10480	9192	28488	0	11018	23316	37297	36873	0	16052	19356	16408	25591	19575	13563	5748	11096	18145	10238	14634	0	7104	32475	Phytochemical	0.3888889	0.8888889	0.11111111
12	C18 H16 O7 N2	373.10303	373.10355	-0.053739287	373.103	120884	73216	68480	64418	70220	43364	40258	38016	61582	160514	109938	23580	89720	37546	34110	35802	56392	76984	87228	122126	156740	171544	43048	40916	26120	102818	32102	78836	27170	20934	26436	30102	61130	24628	205322	25092	45632	39414	55862	163578	220214	25566	0	0	282	106568	139714	0	32870	35060	80242	70078	57884	0	82252	60108	36248	54392	32478	42374	41326	110388	106608	74006	27398	76556	45566	45968	171432	219996	256190	23008	23938	15266	29258	27140	0	24400	61118	94878	51454	78658	26430	80088	82336	28752	71760	39288	42060	132992	44674	73350	88848	153488	114986	0	76814	67790	55568	63140	63030	38984	27020	34632	53272	53186	47448	0	42180	125324	Phytochemical	0.3888889	0.8888889	0.11111111
18	C18 H16 O7 N2	373.10303	373.1035	-0.04247531	373.103	50079	45289	44518	55692	49593	31572	21200	23506	37886	95754	58834	19422	51451	27810	29662	33477	44251	49578	38893	38726	64476	89973	40093	35422	33887	41335	28378	38592	14444	12970	26404	21378	46314	17196	94268	14010	40893	28417	41139	87454	108018	23518	0	0	0	54804	71926	0	33300	22148	47244	49088	36442	734	82728	24070	18486	32617	21702	33978	36298	62163	46804	31336	17768	49146	32301	47003	51339	90285	81890	16903	12653	11117	18800	21912	0	23383	50549	82934	38550	50021	24618	48414	34820	23172	55470	44473	33510	55004	59937	47836	99516	90570	101470	0	61048	38664	32372	34336	26330	32744	23146	24520	40172	43438	38116	0	36124	64974	Phytochemical	0.3888889	0.8888889	0.11111111
8	C15 H20 O7 N2 S1	373.10638	373.1069	-0.13699254	373.10635	9989	10056	6765	9053	8678	7218	4809	7713	6686	5203	4307	8797	5072	2935	6156	9972	22013	10701	12157	6243	6469	11967	8489	11231	5743	785	6036	0	7197	5086	8210	6739	13595	9212	9795	6897	12963	6694	18758	6335	9347	6897	0	0	0	8143	4826	0	8609	6572	8355	10025	9380	0	7225	3067	4871	9061	6347	7364	9308	3633	6145	6919	3525	8692	5488	21875	0	2304	2296	6843	5444	5850	6044	6131	0	6579	8151	0	4067	3988	5233	1909	4566	0	9275	7125	9970	15165	14599	18178	17138	6932	4541	0	7255	9915	5061	3934	3634	12478	6245	9495	0	11875	8405	0	5350	12117	Peptide	0.46666667	1.3333334	0.13333334
10	C16 H20 O10	373.1129	373.1134	-0.13153231	373.11288	163098	161204	155594	138038	185730	129823	70768	124886	274720	309974	200116	95972	751256	77862	116128	116594	101134	297872	286200	216408	259310	236602	132600	116518	40678	21770	79122	100376	99133	90226	96820	116364	177280	107211	368656	108061	184429	111644	115960	132388	175608	130510	4468	1196	3200	101062	115628	2426	90884	113188	165958	166048	145924	2240	406096	225180	102986	110348	119520	111870	121018	126528	351062	338032	103654	228378	137268	112155	102768	65502	104834	99296	109867	105508	112180	101098	0	95076	137112	87350	111190	67966	58042	51460	195866	114062	103690	115456	126823	79830	62656	132982	127660	189232	177262	1090	158946	173382	189672	197350	188997	148028	94264	141886	80590	93786	171652	1463	53068	389980	Phytochemical	0.625	1.25	0.0
2	C15 H20 O9 N2	373.12415	373.1248	-0.16019438	373.12408	5484	6045	5917	5477	8989	0	1967	6692	8001	2594	1827	6201	16757	2541	3721	1416	3829	12284	9894	2640	5984	9155	5172	6589	919	0	0	1367	6301	3643	6643	6868	11242	5855	5608	7117	8927	2389	4721	2454	2464	6305	0	0	0	2374	1583	0	6512	3983	6608	5425	7874	0	10151	4531	4024	7733	2523	2771	1982	958	21405	12596	2502	12953	8622	5136	0	672	0	6884	6717	3705	255	6768	0	4094	2709	0	3362	0	1194	519	6018	3037	2968	9674	8495	6621	3095	3714	9010	1866	0	0	3989	5898	3143	7411	6770	6627	4428	3444	1475	12360	3793	0	2475	21769	Peptide	0.6	1.3333334	0.13333334
14	C15 H20 O9 N2	373.12415	373.12473	0.12708691	373.1242	15556	25006	14728	23294	12370	14676	15186	30094	16184	12906	6247	20490	28626	0	20964	18506	33384	33156	25634	14376	22206	18936	23896	27558	20172	8904	14466	0	12406	20548	17978	18558	28376	21180	18070	27394	29217	14808	19208	14908	0	16012	0	0	0	9632	17504	0	19056	23326	17448	16008	13234	0	29274	8818	14188	16538	0	0	0	19470	16998	28800	12346	19546	20450	21914	0	0	12852	16012	15360	19742	35132	16612	0	24988	14760	0	15612	4492	12903	3257	15573	13888	20313	15672	16898	21300	4343	0	35332	12314	3510	0	14272	21366	6806	12316	10344	27546	19566	16772	0	26670	15566	0	15262	28754	Peptide	0.6	1.3333334	0.13333334
10	C15 H20 O9 N2	373.12415	373.12463	-0.11434698	373.1241	207820	189913	167686	165477	115989	89039	118820	217726	137219	247483	174603	147511	136247	66723	142400	193557	159022	142236	165530	271734	262213	205018	161555	223993	90310	287652	130538	133796	159193	154579	168219	179238	198280	141424	281416	172891	173281	134990	200203	223164	270268	105628	7634	4248	5112	195731	216843	4608	172272	178962	188548	189942	101026	3170	167132	105591	82787	188862	173165	177057	196273	151132	145422	133776	78285	127696	119616	199961	286618	335333	809995	174411	151113	166923	171063	170137	4478	131133	184271	97390	173192	154406	125928	131770	137924	84678	153425	94044	117583	183145	131975	149371	225067	138512	172844	6960	178820	191460	124382	107488	115174	174862	129533	188894	75990	162837	106809	3040	136506	161987	Peptide	0.6	1.3333334	0.13333334
6	C20 H20 O7	373.12817	373.12872	-0.18581627	373.1281	9290	10065	8715	9826	5745	3620	5556	9246	6907	12349	8591	6044	5418	4767	7030	8694	9027	6326	7165	13884	15871	13786	8702	11471	4449	9626	6314	6591	8572	7719	6991	8993	8712	5836	15537	10868	7945	7272	10958	7757	13296	5124	2156	904	1313	10369	14482	1322	8121	10434	8005	8860	5863	1193	8126	6555	5011	11175	7096	12761	10501	7398	6176	6112	4563	5775	5260	13634	14470	12740	21321	8470	9583	8797	6710	10703	1340	7783	9810	6164	8776	9670	9225	5574	6794	5769	10868	4326	4603	9465	6863	6409	8623	8813	9020	1582	7157	10333	5293	6492	4669	7369	9452	12017	8947	6987	3935	1037	6527	5183	Phytochemical	0.35	1.0	0.0
14	C20 H20 O7	373.12817	373.12866	-0.09540926	373.12814	333390	335575	302883	340643	227600	166585	201777	274237	260984	585719	412708	189544	266235	155768	198714	287740	195959	261786	274281	576907	591289	382362	228305	287204	171856	818601	178534	365174	207757	227247	226654	263263	281460	210988	703221	231500	239583	212472	234050	449354	505729	154520	7917	2325	2263	326789	394384	2798	261261	227794	321870	309174	187667	2146	250119	179221	155374	290333	279763	253671	311083	277472	274031	219414	132618	254476	175655	222008	755058	1906968	2214898	239831	218065	229858	187557	243922	1942	178821	285455	247804	262488	280639	226218	349162	259636	162361	253868	162131	185546	304767	244150	233410	297225	250068	312210	4185	324132	302509	224067	232740	215821	230046	199060	306331	259212	231589	199219	2734	216504	253958	Phytochemical	0.35	1.0	0.0
18	C20 H20 O7	373.12817	373.1286	-0.08053686	373.12814	484142	512993	469818	442585	431641	302313	209878	312598	430006	1115489	717955	195009	587870	284330	256323	333949	196341	550139	581432	1071215	1025680	546752	322107	367091	241810	1400590	194035	593162	270265	242175	278884	268589	343764	268556	1223510	243745	363673	249023	236448	742751	638904	240547	18093	3482	3750	494015	458574	4437	303840	264410	489640	471775	334757	3757	431803	357809	236779	352787	270822	217199	342178	496743	586877	367836	203780	504352	284310	235138	1203182	1707739	1765294	292863	228128	218978	188287	277460	2985	214033	386577	354698	356271	399532	230564	498568	440099	286537	367462	271106	285442	286502	388971	399785	410458	411297	597609	6303	496221	432689	391970	401499	373442	286023	209363	342940	280438	275626	315455	3693	257070	556118	Phytochemical	0.35	1.0	0.0
20	C20 H20 O7	373.12817	373.12857	-0.06837396	373.12814	336849	355264	339050	314154	368591	265541	120894	209059	383680	859089	493989	129944	483462	227834	191392	204141	123810	411348	406839	772384	773887	431397	212331	227888	187406	1016779	122651	438555	181895	150788	173039	169765	224480	158926	986746	145510	247985	165708	135215	591996	443169	185529	14482	5352	3173	365625	384595	7183	195701	161733	331173	345318	260236	4348	351536	294897	185571	228975	195551	147531	210234	355989	444630	309642	152557	377491	224186	143025	881369	1248936	1236152	183941	154627	134155	120483	166535	4115	150506	267213	285068	228792	256171	177776	418188	362406	215834	239536	185881	204134	187548	289245	330083	293593	364547	410728	8876	338458	332589	307123	338929	295894	207584	128570	232082	264810	205015	265823	4950	166061	498575	Phytochemical	0.35	1.0	0.0
22	C20 H20 O7	373.12817	373.12857	-0.09257945	373.12814	164865	171709	135223	156020	172252	126180	54655	80080	171029	373168	203148	58636	207667	119086	91346	100937	64587	228144	180075	316112	330230	202641	105606	106094	91103	418589	47964	193053	75288	61479	68012	71309	107456	72948	401775	66487	118935	75978	61873	227173	181687	74127	10481	3658	3995	174465	172418	4662	81571	72441	151582	161077	135839	4113	183723	160993	90710	101518	78505	53502	88418	156658	244371	157039	77122	197911	101762	55738	364634	564152	513556	78546	67590	56510	46562	72792	3433	65928	152968	118031	119562	131834	65473	154716	208146	112228	124295	92893	93580	88684	111616	129403	127820	158629	221295	8033	148037	147094	156032	202717	169015	91641	63633	109545	124510	86421	128924	3614	78308	242818	Phytochemical	0.35	1.0	0.0
8	C20 H20 O7	373.12817	373.1287	-0.1944587	373.1281	29560	37195	26312	35141	16289	10429	20960	34208	20148	39364	29486	21113	17715	11929	21347	30907	24345	17545	24132	44510	44321	33898	24246	31500	14348	42508	20039	22393	19908	24968	24957	28100	25820	20040	52540	23215	23372	21688	31364	33564	42572	13369	2103	1055	1707	38698	37570	1605	25933	26661	30668	33480	13834	1128	22580	14913	12881	29248	19756	28545	31020	24572	19443	20316	10630	18172	13496	34592	58160	47526	78655	26729	22245	27774	20829	27811	1227	20546	28485	16093	28162	24297	24099	23943	19638	11288	29821	15078	17028	31377	19260	18697	31725	23761	29934	2065	30584	34312	21919	18880	17977	24119	18423	35956	24090	23801	15177	1051	21957	18803	Phytochemical	0.35	1.0	0.0
24	C20 H20 O7	373.12817	373.1285	-0.13330117	373.12814	56983	63058	58345	62651	84455	41177	20095	32657	77762	125422	68417	25267	124361	45863	36830	35677	22464	90354	86231	106174	113483	68210	43990	43911	33586	144916	16080	57997	19785	22523	25726	26496	35664	24167	133968	22330	42670	27344	22914	78102	69765	30097	6030	2308	0	63547	69858	3577	27516	25016	61063	56038	53717	0	79528	68969	37947	42904	28875	20729	37019	55387	109272	69421	29562	87485	42291	25776	139844	175586	218063	27728	23956	15246	16271	25006	4940	21990	59036	56081	49839	45950	20306	53519	93237	42926	50247	32524	41347	32184	46833	41437	49879	64457	94871	4744	55658	58504	54351	80795	88712	33091	23243	31203	44411	34079	56001	2852	30707	107592	Phytochemical	0.35	1.0	0.0
26	C20 H20 O7	373.12817	373.1286	-0.11525678	373.12814	28764	29674	28271	31319	42785	18285	6719	13975	39055	60206	33341	11893	66792	25034	19510	16763	10765	43969	51375	53128	63336	51456	21591	25835	12263	64036	8802	28443	12776	12497	13667	9694	19660	11051	69602	11455	18882	13891	12225	38751	38533	10463	0	0	0	25554	30331	0	13404	10374	32885	28531	27492	0	38044	41214	16972	21158	12488	12664	18255	26283	54834	36038	15395	40270	16647	14161	80485	89181	120301	15014	13044	7482	8953	12089	0	10389	29731	28962	24219	19663	11752	29301	46919	24164	25007	18839	20338	14863	15829	20133	25755	33562	58802	0	32274	35588	25899	46132	42910	15744	10400	14936	15360	17319	24779	0	14214	64889	Phytochemical	0.35	1.0	0.0
28	C20 H20 O7	373.12817	373.12854	-0.1473158	373.1281	18357	16417	14557	16376	20656	11803	7037	8163	21281	31709	19615	6064	36367	14333	10114	12697	8892	24338	23945	28391	32833	23218	11753	13860	9263	34308	7295	17674	9260	8628	7234	6887	10564	6888	35879	9291	9701	8612	8579	20996	22212	11424	2831	1368	0	16298	18320	1805	7516	9920	16507	15874	14374	0	20605	19742	10210	10084	7139	7413	16586	12944	27607	15005	7643	23829	12555	9437	42715	53593	63269	8568	5632	7420	5532	7193	0	5916	18046	21727	11660	9994	7685	14761	24996	11950	14975	10952	11422	11437	12730	14177	12963	17621	27404	2037	16499	15109	12973	22612	25866	11813	8751	10862	11666	10394	14328	1167	7383	26613	Phytochemical	0.35	1.0	0.0
16	C20 H20 O7	373.12817	373.12863	-0.07708528	373.12814	424678	478152	413323	418140	367935	254964	213380	320457	420760	996393	583054	222055	438886	232729	272396	356010	230099	445487	460343	915293	887378	490292	337801	370130	235499	1259902	202436	462929	244940	271012	313379	303226	345614	253035	1072543	280751	332198	254181	258739	631108	631184	204372	11456	3152	3154	424104	440282	4118	353283	297192	447384	450995	300544	3484	387120	308487	224392	350648	286995	269383	361178	421867	487275	319470	177415	411513	273219	261398	1087013	1544323	3036240	313549	281057	259780	228716	304946	3200	221578	397921	342115	336012	377233	281952	478895	399170	228646	341221	235565	262206	326806	324418	349777	397067	370615	519295	6594	448002	419687	319777	337030	322079	296746	217785	333585	258626	360458	312236	3164	269555	461093	Phytochemical	0.35	1.0	0.0
20	C17 H24 O7 S1	373.13156	373.13196	-0.03708528	373.13153	11236	12137	17080	10590	9963	12367	4987	7975	8697	17834	3603	11214	18040	4752	7946	15667	6724	14468	18175	19940	16653	18064	6466	10398	11130	17922	9554	7799	9699	8612	5649	10542	9341	12026	19770	8511	9708	9157	18300	18251	10385	8523	0	0	0	10863	26392	0	9948	7434	14769	14242	10755	0	9506	6539	6020	24398	12299	7411	8908	13342	5758	9619	11998	21346	11756	8563	13728	10434	22390	7000	5332	4452	7690	7097	0	3152	5806	7681	4970	8094	11225	0	11450	21266	9271	6464	8652	10274	27002	43083	12712	8309	13894	0	14016	8898	9280	8344	17678	13185	6273	15666	9533	7050	10434	0	9065	16611	Organosulfur	0.4117647	1.4117647	0.0
6	C19 H20 O6 N2	373.1394	373.13998	-0.15589347	373.13934	35781	36118	33300	30850	18888	16059	17056	25572	21590	79212	38583	15162	33801	14658	17423	32802	20975	22569	31011	73861	91583	51773	22706	35879	15291	59788	16354	32049	23914	20664	20076	26687	27136	22783	90021	22724	26226	18052	33510	51177	72825	13844	0	0	0	47557	70850	0	25815	23029	35146	30986	18193	0	28865	20747	11936	24240	11191	22599	27984	39853	29410	22327	10358	28134	16304	35113	71945	100853	130056	22581	18217	17806	13560	20780	0	14709	20950	39304	17396	26679	13852	35016	20235	11579	27080	18807	19279	42176	21201	38186	38943	47030	70318	0	32095	29855	13546	22287	24822	26059	14209	33377	38019	23609	17131	0	18035	30132	Phytochemical	0.31578946	1.0526316	0.10526316
4	C19 H20 O6 N2	373.1394	373.14	-0.17001736	373.13934	9791	9466	8265	8538	6332	5640	3689	8523	7770	20077	12716	5729	13417	6046	5806	7646	9328	6216	9675	14601	25560	17645	6699	8820	5579	20822	4904	9389	4681	4200	6476	5790	7995	5586	23016	6008	6491	5648	10837	18121	24503	5346	0	0	0	13229	21870	0	7271	7289	8777	8666	5705	0	11311	9538	3899	6999	5015	7840	8797	11356	10166	8861	3655	9501	4271	10321	25954	26629	35954	5100	4959	4724	3761	4739	0	5556	8640	12197	7451	8846	4954	9587	9231	4734	9007	4527	4905	10021	8054	8429	12478	14281	19525	0	9821	11366	6925	10352	10048	8644	4892	9261	10292	7519	6691	0	6155	10517	Phytochemical	0.31578946	1.0526316	0.10526316
12	C19 H20 O6 N2	373.1394	373.1399	-0.15713452	373.13934	77870	78549	79242	68051	50618	38554	47188	65379	43808	120242	95064	43059	43348	22999	40349	62637	62917	50081	66688	166031	181962	132485	56356	74434	44494	147789	43706	106327	46149	39651	49291	51730	76771	54838	202760	47643	65308	46326	73603	158952	186049	39458	945	0	0	114010	124129	0	53475	54560	80100	65093	44992	0	47083	30492	28822	67553	45644	68020	47162	101215	52424	36922	25323	53911	41396	75951	145753	225429	267995	46261	41972	40962	40204	43267	0	39287	70967	78093	50372	71395	47717	102734	39568	29903	67684	40059	43151	130347	71901	80744	98700	104984	114086	0	81088	76570	35604	36937	38884	65206	40244	63768	68055	68645	35111	0	55191	50626	Phytochemical	0.31578946	1.0526316	0.10526316
16	C19 H20 O6 N2	373.1394	373.13986	-0.11211671	373.13937	65034	71508	59746	73907	45742	32834	42112	56081	32164	121627	83651	32274	49047	36892	40217	151496	58500	154166	63335	115000	136523	120718	48523	72790	49459	99984	36174	80294	48912	36178	47857	182374	66313	40730	137972	44139	71015	36980	60177	135842	137274	36464	21414	0	0	81030	73133	0	64969	43750	68029	83667	38265	577	34608	26944	26887	66259	39688	44607	60617	68753	46842	35663	20922	47245	46060	52801	106985	165075	163354	48591	28553	30556	38281	37214	0	31415	66785	96545	40955	57299	56844	85890	35969	29448	74208	43930	41193	98561	76375	87978	147761	90898	114807	516	71265	65538	28709	36716	34740	62316	32235	60061	53129	69426	30811	0	62603	67415	Phytochemical	0.31578946	1.0526316	0.10526316
14	C19 H20 O6 N2	373.1394	373.1399	-0.115132116	373.13937	76024	71441	70663	65918	49614	38543	55628	55466	49041	138495	95783	43721	46474	34618	43802	68330	62696	62266	56823	137360	169038	125547	54366	74521	62087	144234	46713	98799	50468	42921	45437	51264	87672	53857	165726	46010	68495	42310	68444	144311	179737	38084	0	0	0	106635	115107	0	58670	50991	69046	75662	45014	226	54793	35022	33783	73062	52045	63590	65461	100327	49608	45403	27415	55708	44711	70289	143582	187539	198869	49217	38386	34337	44956	47338	0	37118	65823	82517	53661	68871	55121	90949	40453	29832	66067	56708	46288	110512	94278	83988	133960	106270	125445	0	78348	72810	35949	42106	37996	60532	39382	76897	76058	74489	34726	0	56105	54380	Phytochemical	0.31578946	1.0526316	0.10526316
22	C22 H21 O4 Na1	373.14102	373.14172	0.2772444	373.14114	3421	0	2025	3128	0	4583	0	2621	0	0	0	0	1752	0	1799	0	8236	4380	3494	0	0	0	0	3313	1705	0	0	0	10135	4011	3027	8855	19845	18835	0	7029	14774	0	10185	0	0	2838	0	0	0	0	0	0	8389	1590	0	0	0	0	0	0	0	0	0	0	2356	0	0	0	0	0	2252	15298	0	0	0	11382	6945	5042	7256	3580	0	0	0	0	0	0	0	0	0	1410	0	6015	4562	0	0	0	0	0	0	0	0	3786	0	0	0	21021	1918	0	0	3838	0	0	0	0	Phytochemical	0.18181819	0.95454544	0.0
26	C21 H24 O4 S1	373.14682	373.1472	0.07761056	373.14685	2762	2582	2595	2113	0	0	0	0	2394	6915	12235	0	0	0	0	0	0	0	0	9792	9685	5497	0	0	0	32589	0	15459	0	0	0	0	0	0	8148	0	0	0	0	9657	12439	0	0	0	0	0	6390	0	0	0	4208	3307	0	0	0	0	0	3017	3481	3007	0	10849	0	0	0	3872	0	0	23434	17652	24910	0	0	0	0	0	0	0	0	9050	0	4233	3500	11791	0	0	1908	0	0	0	6808	6449	0	11203	10811	0	2561	0	0	2740	0	0	0	0	0	1872	0	0	0	0	Organosulfur	0.1904762	1.1428572	0.0
6	C17 H24 O9	373.14932	373.15002	-0.033254236	373.1493	31472	16853	26639	16506	16252	21521	12638	50064	29801	5380	13186	13868	27457	10233	18742	43656	43652	19390	30752	21065	20702	3045	38286	43989	21212	5944	14235	0	26002	42627	22318	22350	41179	33764	38627	20520	56242	28672	25383	13330	16017	25031	0	0	0	15967	4161	0	52516	26308	29036	15282	7960	0	17942	12805	10657	19542	37952	18273	17722	13655	16771	28228	17808	25170	24903	22950	6634	21791	11572	39540	29753	53460	35365	17100	0	28858	29021	8148	15480	12487	25516	9932	17542	9802	25900	17512	14179	28630	10524	30968	49820	13874	3520	0	18080	16790	6944	14414	18734	51433	18184	23338	0	22286	22200	0	13167	18353	Lipid	0.5294118	1.4117647	0.0
14	C16 H24 O8 N2	373.16055	373.16104	-0.03523096	373.16052	392083	413128	360146	393225	251950	190243	316233	429862	271280	421278	332155	288299	273193	170279	306982	423877	379870	271167	309249	528605	497816	448114	334339	430632	292895	763009	306074	335799	348275	374599	339085	433271	405702	294984	457380	362868	349178	305246	418784	366276	478082	226164	11320	3783	3208	326844	363217	4039	386669	363309	368679	368276	238759	4115	286933	222717	204341	436023	345639	369915	420850	261866	307208	256003	173201	258753	226463	402737	621187	780315	967677	329594	321985	374424	341316	393723	2666	278951	424891	240788	392987	281123	347468	308228	288620	190626	396183	210317	238056	516074	386236	368465	491989	246678	303816	6305	398285	370613	232514	286774	266939	368959	298714	439378	256081	359331	230209	3091	349536	261541	Lipid	0.5	1.5	0.125
6	C16 H24 O8 N2	373.16055	373.16107	-0.20015302	373.16046	29991	26160	29853	31847	20236	19458	19302	36648	25409	18311	12267	19959	36326	7710	31703	37527	29568	39102	35933	22474	20806	37149	28674	44128	16068	1731	16120	6948	32021	30913	31245	39458	46822	31101	28039	29472	46170	24427	37581	14107	17851	23017	0	0	0	19027	18267	0	41954	27781	34336	30459	24331	0	35246	16465	12795	36357	29099	22211	45580	10108	33901	29636	11735	31095	27023	39560	0	5084	0	30408	30733	29874	13315	26622	0	20389	18953	10728	18073	11817	14613	4345	21867	19182	25049	25961	25879	42209	33902	37546	66874	12521	15766	0	29988	29080	12424	14167	16998	39472	23588	37407	12392	42066	19904	0	15504	52940	Lipid	0.5	1.5	0.125
16	C16 H24 O8 N2	373.16055	373.161	0.21411239	373.1606	12438	10163	12237	8362	9272	8533	8358	7815	4964	5018	2784	5890	6739	6269	9309	9032	7427	8048	12022	12287	5393	5963	8323	11852	10986	0	13950	4898	12013	12071	9298	9494	10341	11926	20575	21375	12639	7855	5364	7758	3937	8591	660	0	0	5444	5510	0	10705	10252	9328	10359	12068	0	10636	7203	3462	14150	9397	0	0	3851	5780	8729	6585	17869	12794	7670	0	0	0	11392	12461	11520	43998	11782	0	5666	7243	0	7405	6561	11234	6988	4790	4076	6611	6316	16077	0	18927	13026	0	5510	6561	0	8128	11383	6533	13212	5427	10900	5493	7865	0	0	4359	0	8008	7384	Lipid	0.5	1.5	0.125
20	C25 H24 O1 S1	373.16205	373.16238	-0.199242	373.162	0	10983	4483	5020	9059	3583	2531	12359	2908	0	5426	3272	4481	6312	7663	4635	9265	3575	4686	3940	0	4200	10564	0	6606	0	4421	3934	3204	0	13894	13722	5764	11809	5247	3263	13200	3926	6530	0	3744	6477	999	0	0	0	5659	0	12853	9382	0	0	9582	0	5981	4433	4057	14586	7919	8172	9767	4636	7983	5170	3499	11899	6344	9413	0	9189	3229	5074	9934	3283	24395	4073	0	8502	8109	3100	2879	0	4429	0	2974	3353	6629	8386	3805	10293	4680	10009	4262	7932	0	0	7040	0	2958	3876	7179	7918	7137	5915	2724	4058	5728	0	7438	3574	Organosulfur	0.04	0.96	0.0
18	C21 H24 O6	373.16455	373.16498	-0.10556769	373.16452	1032721	1103741	1027005	932716	855175	582591	552077	954438	706371	1550670	1072078	555973	916265	530024	682127	965030	703703	878698	1056736	1909489	1798727	976134	793828	1029959	591552	2822932	563924	1025961	814149	772841	785210	822968	981743	817978	1523172	788371	913080	625702	789587	1343582	1263185	581975	22789	6202	5361	817916	759752	7631	883392	800309	1062295	1020873	669386	6967	810543	670419	525061	952091	667377	673610	858159	864475	924061	667271	407832	831695	635176	823017	2270626	3036482	3606663	791081	658567	774018	697824	862837	3937	577487	962459	617751	842277	660771	633614	924622	843975	571545	854626	606843	661957	858021	929809	905614	1178986	590654	895762	10578	966557	926891	672975	738587	731342	846303	580174	945775	448587	737327	590192	5243	689829	881941	Phytochemical	0.2857143	1.1428572	0.0
16	C21 H24 O6	373.16455	373.165	-0.12257184	373.16452	650382	678569	640562	667229	515714	351581	479057	651069	503741	866482	631617	457843	487086	317454	520402	725150	626436	527017	671897	1113737	1093373	605710	562436	735163	442695	1708889	436073	546397	518489	549290	623208	635088	660628	464268	945422	564362	595443	476985	686651	743424	861898	371508	15182	5598	5410	545356	580933	6687	711048	613068	672117	693126	429794	5457	459794	449129	380504	698459	467572	576623	620340	473422	594855	444348	285100	529881	398655	609108	1481410	1899815	2184173	549478	549786	581970	549080	631671	4916	415037	721873	400116	571314	474928	508790	628656	598633	345985	665777	398524	416465	786076	546556	553303	881097	420440	577404	9309	644448	629042	440764	485153	531208	587693	421086	603389	323769	609760	459869	4715	560435	576007	Phytochemical	0.2857143	1.1428572	0.0
20	C21 H24 O6	373.16455	373.16495	-0.097717755	373.16452	978868	1050894	979415	860792	871929	658770	450536	827864	790126	1754850	1097543	514044	1017334	595970	685703	822354	551724	963845	1091254	2063808	2016844	1022913	697725	931191	609126	2764940	469763	1085732	743381	688927	687104	736417	876745	725863	1866223	680461	979981	544525	575619	1390180	1255651	561373	25765	9194	5272	813759	807852	11316	802583	679446	1011621	1015917	691698	9063	757413	681881	522656	873233	631092	559923	818463	893863	970050	730251	398129	917713	640230	596828	2262394	3313451	3303713	798138	718020	694522	552520	749266	5168	559928	813936	610409	688609	554290	603297	998025	806757	519338	803020	623966	638381	749197	904477	868764	1108673	699397	863212	13966	943837	976812	665506	790216	752428	783266	551016	943336	562985	767733	636748	10960	617944	1090153	Phytochemical	0.2857143	1.1428572	0.0
24	C21 H24 O6	373.16455	373.16492	-0.105218045	373.16452	210276	220829	202079	224501	233134	163232	83538	168033	203634	391493	272810	104248	342210	147514	142264	168398	123594	274373	278092	455800	448774	247455	170421	207753	142505	532320	77139	272094	142254	138584	145573	148652	196595	147933	478070	149258	235721	110336	120793	290640	256222	138382	16906	5680	8795	202746	165012	7062	175602	153966	216843	210846	183202	11993	228821	191357	114444	195550	142920	93518	183421	202058	264067	190531	100185	270894	190045	129332	496606	691093	677158	163488	136566	127363	84214	138228	7758	114355	183699	134506	163636	137218	109446	207381	215668	134592	192513	130728	154467	152093	185043	201309	268956	155135	213933	9972	213505	219685	161075	201412	217721	186716	99707	181303	131237	171957	150198	4853	133856	278560	Phytochemical	0.2857143	1.1428572	0.0
26	C21 H24 O6	373.16455	373.16495	-0.16460039	373.1645	65080	56428	60985	67169	71958	44383	23607	58054	68092	87150	69775	34319	108527	49735	47790	61196	37590	77761	95792	113980	123378	70062	50217	71358	43625	139218	22564	60041	47049	52742	49070	45074	55303	47001	111515	49162	55075	33007	44857	87691	92454	49436	6187	0	0	64679	52765	7542	56458	46946	67729	61955	64228	0	79528	81315	40760	64903	41832	29250	59175	54169	87295	60319	27738	82697	53956	45525	162888	170349	211981	53551	47793	39594	35506	49735	0	40098	58760	45432	47327	43068	36757	59178	81280	35848	61850	48744	49305	45139	55336	51639	80098	49499	63719	0	63662	71979	50510	89560	79588	70810	38477	54984	41614	44603	51838	0	38178	88320	Phytochemical	0.2857143	1.1428572	0.0
22	C21 H24 O6	373.16455	373.16495	-0.08539588	373.16452	612815	623439	522147	579496	557438	455070	233020	473631	521171	1154578	740912	282472	589056	398389	385558	446027	290941	686949	592590	1314402	1283910	677079	433073	541664	410673	1567398	218090	741607	472206	388949	413748	423328	509121	436664	1213980	408966	586909	327375	298656	840184	685905	336213	25396	9757	6818	561023	470949	11319	417038	413195	575701	571664	450902	8187	564047	463882	297677	511128	394035	284086	465301	594393	627800	448713	243170	602156	431987	314327	1318783	2073930	1932128	482420	367172	374396	233732	390534	6248	318928	482908	333144	412316	383481	326819	552632	528270	330596	479659	346765	383379	413596	562008	562294	638568	426703	631438	14743	514137	577052	416229	522933	449732	505915	301381	511529	363106	453249	392047	11818	337627	717246	Phytochemical	0.2857143	1.1428572	0.0
26	C18 H28 O6 S1	373.16794	373.16812	-0.049825497	373.1679	3658	3825	4830	2929	0	2914	1940	0	0	3285	0	0	0	0	0	6617	0	0	0	0	0	6613	0	0	0	0	2224	2754	0	0	0	0	3322	2711	0	0	3280	0	3368	2287	0	0	0	0	0	5878	0	0	3618	0	3612	2541	0	0	0	0	0	5416	0	0	0	0	0	0	0	1937	2894	4748	0	4113	2513	3057	0	0	0	2262	0	0	0	5453	0	0	0	0	0	0	3175	0	2709	7640	20290	11106	10872	3041	5476	0	2804	0	0	0	0	0	0	0	0	4150	0	0	3476	1913	Organosulfur	0.33333334	1.5555556	0.0
2	C15 H24 O7 N4	373.17178	373.17236	-0.21627927	373.1717	7465	6804	5887	5220	4760	0	3883	5936	4822	1454	2919	3452	7349	2952	5207	1815	5732	5887	5038	1511	2173	6699	6015	5951	3073	0	0	7258	7188	2887	6571	5598	9906	7063	2668	6308	8689	5233	7055	624	1296	0	0	0	0	1624	896	0	5820	2199	5850	4502	4865	0	5800	3003	3307	8819	1890	1420	2289	0	5180	4710	3630	5060	4797	8190	0	349	0	5457	5331	4195	0	5229	0	4134	4084	30674	3036	0	1399	0	3850	3228	6481	6363	5120	18640	34014	14577	13621	7414	0	0	7909	6905	2770	3257	3518	6424	4214	2412	783	9324	4561	0	4342	7614	Peptide	0.46666667	1.6	0.26666668
20	C20 H24 O5 N2	373.1758	373.17618	-0.18965922	373.17572	12815	14374	15531	12338	12084	11376	11952	16009	6996	22043	25372	10197	7153	9673	8951	21766	16846	12190	12910	29949	30659	25253	9706	20170	13923	30521	9608	19093	15825	14111	13248	18361	17439	12005	19205	13165	18443	10636	17226	29661	32285	11117	0	0	0	14177	17770	0	15144	12210	17718	19669	10922	0	8256	4795	6273	25181	11093	16132	20517	14815	12907	7469	5853	10835	12039	16969	22340	33559	35877	16205	14577	10763	13305	12401	0	11365	10329	15596	10736	11322	12195	19860	5478	5566	11594	11989	11638	28308	33794	29719	30773	20507	18699	0	15730	19578	5793	5912	5784	21658	10492	22585	12845	23709	9916	0	18506	9617	Phytochemical	0.25	1.2	0.1
18	C20 H24 O5 N2	373.1758	373.17618	-0.2126028	373.17572	32700	38749	30946	24613	13304	15284	23505	30711	11879	44428	25525	19648	9548	12238	20709	36658	34324	25470	26738	49556	54657	47422	20352	43522	20895	43527	26806	38577	24371	27221	25378	33385	39602	30050	42317	26232	44616	20286	40317	57392	59288	20711	364	0	0	36847	38349	0	38149	28132	39425	32152	18582	0	17057	9908	12675	35193	17926	30472	42311	30883	12257	12050	7953	13814	21419	45596	40858	58447	66340	26125	23991	18418	23620	27678	0	19513	26759	35581	21824	26978	28608	39945	11301	10518	30109	25284	21974	58576	47993	55849	54391	30668	61285	0	30170	28952	9131	9501	8002	35829	19111	38499	18020	34894	8613	0	34293	14352	Phytochemical	0.25	1.2	0.1
20	C18 H28 O8	373.1857	373.18604	-0.15913987	373.18564	33614	33339	40475	28429	32930	38471	25093	37956	55157	44261	12367	11604	74527	29191	39626	21762	18851	64358	64524	36831	21208	25984	24805	34293	35630	0	21027	32843	54078	31748	37948	40069	66562	43752	45503	42861	74915	25877	21005	21887	0	31176	2361	818	996	18408	0	1014	43817	23904	28554	33293	36795	2710	99380	35216	19320	30463	49046	7219	31910	14465	47888	57963	23495	47220	38852	11914	0	11518	0	37625	39520	51417	10829	30879	1121	31003	13506	6029	15008	8108	37419	0	27180	22172	17282	23829	34138	9523	54725	62672	35561	8833	15453	1106	33538	33904	29104	27010	27409	53127	23012	38425	18520	25315	28746	902	16943	62510	Lipid	0.44444445	1.5555556	0.0
22	C18 H28 O8	373.1857	373.18607	-0.09537364	373.18567	10451	12440	7437	11725	9649	8377	7373	13585	15307	13644	3995	5912	22916	6330	13462	4772	106631	20183	20871	10406	6220	10139	6482	7672	9477	0	7592	28328	21130	9561	11614	16678	19138	11705	9287	10781	20200	8546	72842	6074	0	5423	0	0	805	6517	4063	0	12113	7786	11134	10129	11516	1100	33889	5364	5080	12081	11380	24631	7255	0	17565	17643	5977	13142	6560	14253	0	5586	0	9356	9633	13203	3690	8663	1943	6594	4808	3269	5562	4338	10726	5437	4343	9402	6578	3620	10802	7182	19466	22727	11525	0	4691	0	9196	9552	7697	5814	5809	15236	6457	8536	7656	8201	7521	0	3392	19957	Lipid	0.44444445	1.5555556	0.0
14	C18 H28 O8	373.1857	373.18613	-0.19995196	373.1856	23079	22889	20617	25390	15304	19261	29968	32214	15355	9146	8017	17211	18815	12111	31275	30651	20358	22019	22294	20041	13933	14858	21689	23802	24840	5839	24428	11588	43454	38790	27207	32592	35037	28481	18834	41045	36327	26995	27869	7389	6747	18314	0	585	543	16643	7731	0	34175	24485	23052	21685	16136	593	30407	14738	14229	29323	25747	10168	28282	7866	24713	23377	22538	16443	18595	18649	0	9238	0	28353	24627	37497	24758	33194	486	18450	25549	0	18069	14542	42404	14674	22651	14920	20997	12669	17094	14931	16860	23182	33782	6300	10134	1078	19242	23723	14250	21171	22730	39956	17334	28928	0	21749	20408	652	20236	20649	Lipid	0.44444445	1.5555556	0.0
18	C18 H28 O8	373.1857	373.1861	-0.15586674	373.18564	37806	38303	46980	38850	34785	38324	40270	56463	41818	38360	18348	21340	68199	40722	45845	38433	19563	60391	70759	38551	17920	31341	37449	42041	42359	5741	26603	22283	66786	52970	55738	55751	90847	59474	38582	58413	78663	39822	23240	27081	5140	39690	2295	0	396	26837	6200	0	64210	35871	39860	37119	40767	892	105167	42979	27666	54641	47947	10206	38448	19697	58405	56936	35477	57737	50578	19748	0	13165	6686	47923	42464	61172	29085	50248	579	34037	27030	10859	20765	11367	66315	15197	29808	30898	28732	28415	44131	12710	58575	61162	55345	10218	18361	693	42501	42246	24454	26496	33744	69787	29853	44529	16050	33876	27221	0	24903	59925	Lipid	0.44444445	1.5555556	0.0
4	C17 H28 O7 N2	373.19693	373.1975	-0.21707416	373.19684	17710	16920	17130	20346	15306	119581	12528	23348	16966	8222	0	8054	24998	8988	16906	17642	11990	21890	18858	9546	7662	22202	14790	21796	20024	1794	9588	8322	26634	15740	18134	16552	25608	16222	16172	17152	27868	13608	12536	5816	4280	13728	3808	2334	3016	13416	3994	4748	20824	14898	15644	15268	14372	1816	23672	11658	9184	26420	12886	5668	18848	1972	24856	15438	7050	19486	13436	6514	2986	0	0	19228	14476	15794	4224	13112	2522	14770	13210	0	9946	7040	8508	3550	14016	10696	15538	10464	17296	16590	33860	31834	39944	3940	6706	5842	17592	19510	12608	13384	12426	19318	14580	14654	0	17602	11354	2734	12785	28954	Lipid	0.4117647	1.6470588	0.11764706
10	C17 H28 O7 N2	373.19693	373.1974	-0.21631703	373.19684	7001	7585	7116	7063	5247	4377	7576	8311	4179	1691	1900	3999	5523	3518	11292	12757	5162	5299	4002	3925	2165	6881	4627	13380	9999	0	4964	5104	9630	5836	6924	8368	9715	9320	3011	10000	10489	8949	7506	2101	2104	4636	0	0	0	2668	2193	0	9827	8296	8551	8526	3141	0	4927	1006	2834	14010	4951	0	11813	1706	0	2195	2232	6872	3793	8620	0	1765	0	5712	7067	6896	5883	8704	0	6034	5827	0	5353	3954	3482	1626	2738	2486	8792	4137	3795	10876	24478	18770	16684	1570	0	0	6875	7393	1818	1409	2291	7538	5783	6543	0	10359	2119	0	5946	5547	Lipid	0.4117647	1.6470588	0.11764706
6	C17 H28 O7 N2	373.19693	373.19745	-0.2528312	373.19684	9724	10842	10375	8499	7145	10070	5932	11907	7111	4573	1942	4703	9833	3535	10036	14728	4176	12243	13998	4729	4146	9783	7772	14754	8654	698	6033	0	12865	7522	11561	11054	15213	8654	7933	11366	17042	8492	10162	3633	1807	6736	0	0	0	4971	2804	0	14312	7700	10600	10426	7553	0	9739	3780	2866	19344	5740	3345	16806	1638	10375	7517	2073	8198	8103	6846	0	0	0	10114	9748	10823	4244	7249	0	6474	6831	5454	3758	2819	4092	0	5362	4639	8954	5749	9563	11533	20154	24152	26464	2578	3029	0	9890	9772	2630	4077	4703	14428	6669	8565	0	13829	5038	0	7150	13268	Lipid	0.4117647	1.6470588	0.11764706
26	C22 H28 O5	373.20096	373.20132	-0.11112667	373.2009	173931	181611	163823	165839	168833	113659	81887	181395	151107	227284	206956	100582	214109	127477	156009	185407	126652	217098	263303	341625	325374	197072	122900	189513	141125	422891	83783	229921	193388	170395	161911	179572	217451	147102	302101	203772	242876	109872	132995	222062	186924	128641	13730	8456	0	157979	116095	6907	173509	158136	189859	178426	147933	0	180565	170232	97339	200986	154704	94759	201723	143018	163090	139263	76209	207842	190763	152069	379364	409817	417583	147546	154387	175186	124510	167559	0	115170	168410	131257	120720	111748	128265	167250	176412	111166	169839	129473	133824	152047	169329	179934	243489	147463	183676	6534	176681	195733	115397	175470	193659	224657	95385	193614	128610	145707	130957	0	128251	174654	Phytochemical	0.22727273	1.2727273	0.0
24	C22 H28 O5	373.20096	373.2013	-0.12633969	373.2009	700068	714359	628681	692305	650902	465100	326177	586676	551237	1108749	913820	380511	707879	414079	457888	682865	506955	726211	967023	1404318	1323659	704845	486051	688216	452774	1803430	296284	913508	583171	554946	512668	643904	709833	594351	1252824	662201	842914	392740	550428	945722	794529	429176	23088	7371	7722	567897	494455	7946	679887	502730	701385	668178	552189	7281	627298	508880	315588	705075	508082	359184	680062	640256	608614	481944	274877	684937	537519	555612	1464561	1950324	1873539	567797	541612	540710	496483	585823	6295	412076	589023	467371	458260	431785	436974	657044	556472	400127	618351	421706	531123	542884	673455	695781	803409	559505	765346	7509	665473	706364	403976	513516	543805	740338	362383	732923	422390	577821	421782	5977	445318	643999	Phytochemical	0.22727273	1.2727273	0.0
22	C22 H28 O5	373.20096	373.20132	-0.12783492	373.2009	1122028	1187841	1008841	1133289	1045844	722076	689682	990230	850823	1572079	1272674	687661	786842	643440	782782	1244849	1053041	1121981	1131545	1988894	2078046	1139271	784842	1097609	801472	3011956	650181	1242061	1045561	951752	879188	1055834	1184218	967177	1648336	1045912	1217058	713511	1031606	1319576	1344602	722690	29249	6597	4488	840408	884103	8385	1020682	900760	1124117	1108975	882701	8301	950189	835514	604876	1201702	745477	719198	1107067	910024	894706	747985	489401	866059	792658	1110200	2346472	3202338	3401218	867294	840468	844871	841641	992013	3890	672829	964434	719905	760565	603371	787766	969524	932653	672152	1013832	794303	859520	1075717	1060035	1066848	1342435	800148	1120196	9819	1028500	1093871	686652	955291	835752	1312682	676584	1134216	636458	991657	784670	6195	791271	1006209	Phytochemical	0.22727273	1.2727273	0.0
26	C19 H32 O5 S1	373.2043	373.20435	-0.4029868	373.20416	2880	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3334	0	0	0	0	1855	2690	0	0	3149	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20864	29733	0	0	0	0	0	0	0	0	0	0	0	0	0	1631	0	0	0	0	Organosulfur	0.2631579	1.6842105	0.0
4	C16 H28 O6 N4	373.20816	373.20874	-0.19197343	373.2081	3930	3908	1917	3386	654	3041	972	2764	528	0	1703	1573	923	0	3797	5975	8429	1821	1671	0	0	1556	4060	4513	3610	0	1311	17470	3026	2222	1735	2460	2917	1551	1141	2578	2757	2466	8071	0	606	1921	0	0	0	0	0	0	2823	2139	2493	2386	808	0	1037	566	938	3887	605	451	4693	0	603	631	1553	1002	727	6563	0	0	0	2207	2031	1701	1697	1419	0	1627	2254	205485	1786	779	596	0	1190	1696	3014	1443	1471	4976	58651	14543	5665	8039	1387	0	2874	3800	785	0	1080	2635	2361	0	0	2773	770	0	2571	1224	Peptide	0.375	1.75	0.25
0	C16 H28 O6 N4	373.20816	373.20877	-0.37935883	373.208	2571	3196	2703	3052	2124	0	0	4738	2637	0	1418	1809	3028	0	1908	0	3319	5330	1979	0	1010	3016	2464	2188	1889	0	0	11728	4841	1963	3828	3185	6968	1573	0	3221	4303	1374	3274	0	0	2390	0	0	0	0	0	0	3613	0	4087	2646	1870	0	2239	1222	0	3720	833	0	1786	0	0	1468	2536	2934	3166	3964	0	0	0	3496	3030	0	0	1991	0	2803	1943	92828	1248	0	0	0	1197	1292	3095	2503	3366	4139	22147	7142	7062	7332	0	0	2153	3014	1059	645	1732	1906	1678	0	0	4292	1527	0	2135	5173	Peptide	0.375	1.75	0.25
8	C16 H28 O6 N4	373.20816	373.20847	-0.14364229	373.2081	0	942	972	1240	0	2520	1178	2001	0	0	2225	1164	0	0	0	1645	1948	0	0	0	0	0	0	0	739	0	863	16383	0	1592	1047	1456	1864	0	0	1103	1094	1399	1846	0	0	0	0	0	0	0	0	0	1238	895	1964	2085	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1332	0	0	0	838	0	1172	0	1248	0	1007	1063	6767	0	0	0	0	0	0	1004	0	746	1153	29373	6895	1370	2878	0	0	1622	0	0	0	0	0	637	0	0	0	0	0	1072	0	Peptide	0.375	1.75	0.25
2	C16 H28 O6 N4	373.20816	373.20877	-0.22140695	373.20807	11162	7603	8007	10673	2280	15911	3561	4757	1761	1230	7150	3234	1301	1244	3592	2629	4929	4054	2301	626	848	4935	3577	4307	3244	0	0	123638	6085	2887	6167	4222	6617	4653	1092	3813	4589	2975	5488	0	626	0	0	0	0	1149	930	0	4795	2384	7961	10627	2308	0	1769	1005	1191	6210	712	335	2607	0	2074	1699	0	3219	1820	5226	0	279	0	3349	5172	4817	875	3449	0	3496	3515	766456	2534	0	559	0	1388	1780	3872	2396	2983	9656	184440	97023	9114	45702	971	0	10959	10495	1761	983	975	3919	2929	1849	713	5248	1482	0	2834	3572	Peptide	0.375	1.75	0.25
14	C21 H28 O4 N2	373.2122	373.2126	-0.2120294	373.2121	6802	7950	7249	3848	1680	3080	2140	8448	0	6113	6345	2777	0	0	4224	8201	4656	1366	2625	17128	15191	0	2324	7085	6146	15614	4655	10237	6852	8757	4925	7678	9548	6816	4699	7271	11547	2976	9641	13916	6093	1930	0	0	0	6171	5459	0	7610	6746	4000	6519	1743	0	0	0	859	7955	0	0	0	5270	0	1327	0	2383	3264	11607	0	20401	13278	7673	4583	6343	5268	5173	0	4577	2593	0	3336	1216	1426	5932	0	0	3023	4021	4051	9938	6282	2148	14101	3563	10040	0	6000	4516	1281	0	0	8717	3786	7454	0	7806	0	0	5089	0	Lipid	0.1904762	1.3333334	0.0952381
10	C21 H28 O4 N2	373.2122	373.21265	-0.17889631	373.21213	7261	6656	7160	5083	1501	4001	4532	10546	961	11628	8981	4711	0	0	5263	10479	8406	1871	2837	16787	17088	5109	4787	9271	7072	9332	5656	11551	9704	8613	8785	12741	10172	9826	13100	10678	10764	4933	8232	13277	4906	2952	0	0	0	7431	5111	0	13154	8264	6969	6797	3105	0	1726	923	1991	11070	0	0	13418	3915	0	0	1307	1075	4347	10636	0	18213	12117	8027	7972	9847	6529	8346	0	3220	6958	5865	3925	1162	0	8165	1393	1576	4714	3963	5393	20246	12722	1978	14807	3691	14413	0	9592	5604	0	0	0	9236	4710	6852	0	8138	958	0	6825	0	Lipid	0.1904762	1.3333334	0.0952381
24	C18 H32 O4 N2 S1	373.21555	373.21576	-0.21792738	373.21548	3640	0	2139	1939	0	0	0	1854	0	0	0	2146	1958	0	2334	7345	5390	0	1619	0	0	8419	12191	32706	0	1503	0	0	0	2067	1206	1911	2140	1163	0	2777	0	1660	3314	0	0	0	0	0	0	3995	0	0	1900	1803	1333	2802	0	0	0	0	780	4185	1186	1028	7791	0	0	0	0	0	1820	4023	2159	1518	1668	2416	1054	0	2065	2552	0	1375	17579	0	25637	3097	0	0	0	0	3507	1359	1547	43226	1675	1638	25735	0	2390	0	3223	2919	977	0	0	2705	3265	1422	0	5670	1170	0	8511	0	Organosulfur	0.22222222	1.7777778	0.11111111
24	C19 H32 O7	373.22208	373.22232	-0.16088223	373.22202	3848	0	1634	0	2137	1565	5864	0	1430	4077	0	0	2690	2967	3414	0	0	1855	2391	1456	0	0	0	0	0	0	4485	8885	4334	4274	0	3439	3056	0	0	2873	3541	2475	0	0	0	2061	0	0	0	0	0	0	5219	0	1972	3355	1853	0	2835	0	0	0	1913	0	0	0	2365	1005	2344	5503	2998	0	0	0	0	2223	2876	0	0	0	0	2139	0	4058	0	1420	4940	2039	0	0	1623	0	1394	0	23556	18934	0	0	0	0	1305	2700	1143	0	0	0	0	0	11344	0	0	0	0	2708	Lipid	0.36842105	1.6842105	0.0
18	C19 H32 O7	373.22208	373.22235	-0.2364943	373.222	0	2847	2269	1777	1503	0	12517	3687	1032	0	1582	1292	0	1073	2858	2481	3274	0	0	0	0	0	0	1373	2219	3286	10940	0	3957	2739	4092	3862	0	0	0	2295	3328	1284	4218	0	0	3290	688	0	0	0	0	0	3635	2523	2503	0	1759	0	0	0	1185	1763	0	0	0	0	1959	0	1063	0	3532	3009	0	0	0	2140	5114	3844	2530	0	0	0	1641	1825	0	0	27893	16783	2244	1452	2108	0	2282	4019	0	3277	2569	0	0	0	0	0	0	3695	2056	3278	0	0	2738	2626	1874	0	1205	2470	Lipid	0.36842105	1.6842105	0.0
22	C19 H32 O7	373.22208	373.22244	-0.2504691	373.222	4599	3400	2482	5529	2568	3113	13999	4311	3718	2531	4421	1973	8835	6113	2497	5090	1965	0	2674	3220	0	0	1875	2449	3030	0	7143	12839	6476	4459	3396	0	5357	6799	3775	4753	6181	4164	0	0	0	2180	0	0	0	0	1774	0	5132	2497	5181	4028	3695	285	4559	2078	1423	4236	2788	0	10695	0	3604	2302	3545	14581	8521	0	0	0	0	3692	4566	7068	2052	5762	0	2106	1738	6152	0	2670	22050	7169	1618	2611	3551	1497	0	0	17730	18232	3883	1310	0	0	4653	4637	1570	3535	2756	5131	0	2969	11692	4610	2402	0	0	3368	Lipid	0.36842105	1.6842105	0.0
20	C18 H32 O6 N2	373.2333	373.23373	-0.12627348	373.23328	2566	1630	0	0	0	0	0	0	0	0	0	0	0	0	2026	4831	0	0	0	0	0	3815	1330	5886	4605	0	1289	0	0	0	0	0	26847	1455	0	0	10873	0	0	0	0	0	0	0	0	1463	0	0	0	0	0	0	0	0	0	0	0	5561	0	0	5150	0	0	0	0	0	0	2228	0	0	0	0	0	0	0	0	0	0	5905	2613	0	0	0	0	0	0	12395	0	0	3383	7336	0	11058	0	0	0	0	0	0	0	0	35537	0	0	0	3565	0	0	5198	0	Lipid	0.33333334	1.7777778	0.11111111
16	C23 H32 O4	373.23734	373.23767	-0.2469887	373.23724	7892	8137	8564	3498	6261	4061	11998	8340	3392	0	0	6437	2572	5257	6315	10236	22970	5155	8271	3663	5214	3312	5837	6745	5033	2971	11798	2561	7473	8876	4821	7368	6135	1657	2292	8074	5742	7158	19742	1728	6651	5912	563	0	0	4540	4103	468	6699	8901	7861	8004	3589	0	7069	10255	7361	7300	2873	10785	0	1884	2868	5542	7007	4105	2891	22458	6560	0	3738	1774	2131	7653	14232	8112	0	5113	18201	9744	8557	6174	7338	1730	16265	6406	21451	3993	3647	31999	7510	5214	0	4184	5246	0	7827	5966	7093	17132	23749	8551	6416	3908	0	0	8819	0	12517	2645	Lipid	0.17391305	1.3913044	0.0
26	C23 H32 O4	373.23734	373.23773	-0.14191248	373.23727	328668	317541	311981	302006	313839	171059	238862	283088	279273	323933	461288	154975	267817	207429	234101	389026	292153	336351	532143	509671	466525	585563	177945	240001	310578	936453	229622	533289	366549	320965	244475	492750	390179	248160	451658	434511	358480	229136	293865	365607	344429	250202	25958	0	0	240783	211188	0	313297	237033	328166	307082	258249	0	305460	316570	189425	459475	257996	157917	329951	233208	222479	226071	160492	290354	313900	344652	733388	657864	701727	181636	231959	325464	232433	313452	0	189004	322803	608662	171401	230709	312993	311670	350260	243436	459455	216707	266037	310212	376302	387743	309140	746263	711411	0	320410	366076	213547	365008	370044	477177	155165	373600	235496	256169	273934	0	297858	216464	Lipid	0.17391305	1.3913044	0.0
10	C17 H32 O5 N4	373.24454	373.24493	-0.23452905	373.24445	1830	2392	4282	2364	0	1895	0	0	0	0	2523	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35804	0	0	0	0	0	0	0	0	0	1302	0	0	0	1090	0	0	0	0	0	0	0	0	2702	4718	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	128557	830	0	0	0	0	0	0	0	0	0	470950	140285	0	21797	1983	0	5435	2261	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29411766	1.882353	0.23529412
6	C17 H32 O5 N4	373.24454	373.24503	-0.23177192	373.24445	14572	17537	18330	16652	539	8995	0	0	0	1643	12169	634	632	0	597	2257	747	0	0	0	0	1052	0	769	1070	0	693	197575	0	0	0	0	2401	753	0	0	1183	802	2280	0	0	1356	0	0	0	0	0	0	0	0	19052	18687	0	0	0	0	0	2379	0	0	943	0	0	0	0	671	527	0	0	0	0	0	0	0	0	0	0	673	0	975139	842	0	0	0	606	0	0	909	0	0	1407220	623862	1619	76512	10719	0	17542	15984	0	581	0	843	759	0	0	1129	0	0	646	679	Peptide	0.29411766	1.882353	0.23529412
8	C17 H32 O5 N4	373.24454	373.245	-0.027965961	373.24454	17342	12941	14552	18131	0	6154	0	0	0	0	5539	0	0	0	875	3244	2430	0	0	0	0	0	0	0	1237	0	614	126343	894	0	0	990	1734	0	0	0	1689	1024	2569	0	0	843	0	0	0	0	0	0	1618	0	15794	13795	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	814	0	0	0	0	736172	0	0	0	0	0	0	0	0	0	0	1231065	497358	2217	72737	6202	0	12630	15366	1185	0	0	1119	1437	0	0	0	0	0	0	0	Peptide	0.29411766	1.882353	0.23529412
2	C17 H32 O5 N4	373.24454	373.24515	-0.19855668	373.24448	4853	3980	4049	3152	1606	16290	2070	4665	1332	2865	20053	1559	2241	3158	3038	3078	1638	1627	2308	423	0	1328	3531	4664	2825	0	0	602556	4606	1731	4847	2426	2369	3149	906	2795	1808	2177	1766	0	0	0	0	0	0	813	384	0	2306	1954	3562	4161	1526	0	1556	707	1957	5397	0	0	3266	0	1061	790	3922	4348	2645	1882	0	679	568	1388	931	1365	589	639	0	4133	3190	401337	2681	1979	0	0	1468	6909	7566	2803	2960	4910	167449	146317	9783	22307	1495	0	4047	3906	2537	908	1527	1251	3541	199	249	4468	2760	0	3383	1753	Peptide	0.29411766	1.882353	0.23529412
4	C17 H32 O5 N4	373.24454	373.24515	-0.20945954	373.24448	4567	4656	5092	4834	558	7186	594	719	568	0	2885	0	515	0	1068	1590	690	920	351	0	0	674	583	1047	2222	0	0	88620	920	0	0	732	1688	0	0	583	1508	851	2347	0	0	1603	0	0	0	0	0	0	0	0	5252	4326	736	0	0	0	0	854	0	0	568	0	394	0	0	1234	0	1064	0	0	0	0	442	587	0	0	0	383	505	565663	459	0	0	0	0	781	1518	630	453	993	326175	148904	1623	20659	2116	0	5194	5061	0	0	0	688	1025	0	0	379	0	0	1080	698	Peptide	0.29411766	1.882353	0.23529412
4	C24 H36 O1 S1	373.25595	373.25632	-0.46702394	373.2558	0	0	0	0	0	2593	0	0	0	0	0	207	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24741	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7299	0	0	0	0	0	0	0	0	0	0	15008	3744	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.041666668	1.5	0.0
28	C20 H36 O6	373.25845	373.25882	-0.020416645	373.25845	0	0	0	0	0	0	822	0	0	0	1079	0	0	0	6381	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3190	1683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	998	0	0	0	0	0	0	819	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1737	1268	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3	1.8	0.0
20	C20 H36 O6	373.25845	373.25858	-0.2989909	373.25836	0	0	1478	0	0	0	4318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3995	0	1207	0	0	0	0	0	0	0	0	0	0	0	0	2455	0	0	6715	0	2839	7463	0	0	0	0	22365	15650	0	0	0	0	0	0	0	0	2051	0	0	0	0	0	5085	0	0	0	Lipid	0.3	1.8	0.0
24	C20 H36 O6	373.25845	373.2586	-0.3547657	373.25833	1766	984	1191	0	0	822	23911	0	0	0	1317	0	0	4590	0	0	0	0	0	0	0	0	0	0	0	0	17544	12570	0	0	1086	0	0	950	0	0	1820	0	1343	0	0	0	0	0	0	0	0	0	1619	0	2052	2352	0	0	0	0	0	0	0	930	1134	0	1433	0	4574	2119	1695	0	0	0	0	0	0	0	0	0	0	0	0	14370	0	0	10121	6793	1426	6756	0	2211	0	0	23359	31721	0	2725	0	0	0	2176	0	0	0	1654	0	0	7126	968	3504	0	0	0	Lipid	0.3	1.8	0.0
26	C20 H36 O6	373.25845	373.25867	-0.18771996	373.2584	0	0	0	0	0	0	7009	0	0	0	3258	0	0	2765	24523	0	0	0	0	0	0	0	0	0	0	0	3530	17257	0	0	0	0	0	0	0	0	0	16781	0	0	0	0	0	0	0	0	0	0	0	0	0	2586	0	0	0	0	0	0	5970	0	0	0	0	0	0	1864	3322	0	0	0	0	0	0	0	0	0	0	0	0	12219	0	6691	0	0	0	0	0	0	0	0	12867	8668	0	0	0	0	0	0	0	0	0	0	0	0	22211	0	0	0	0	0	Lipid	0.3	1.8	0.0
10	C19 H36 O5 N2	373.26968	373.27014	-0.10720242	373.26965	8261	7918	10027	7121	1577	0	2730	7197	2451	0	0	5458	2637	4964	7226	14305	1863	4645	1822	0	0	9823	12285	41370	16705	0	2494	0	1098	1663	3584	1601	2669	1326	0	0	1616	7101	1471	0	0	1178	0	0	0	4586	0	0	0	6397	6596	7055	1136	0	4323	1632	1724	12136	0	0	0	0	13704	2254	1260	3367	1475	2464	0	0	0	3182	1152	0	1359	1157	0	3442	16888	6288	13386	0	0	0	1806	1504	12653	1207	0	95123	3980	0	110636	0	0	0	8599	8156	1739	0	3294	0	4332	0	0	23080	1303	0	22576	4249	Lipid	0.2631579	1.8947369	0.10526316
22	C24 H36 O3	373.2737	373.27408	-0.19161128	373.27365	11352	10441	9250	9736	8247	4087	31358	7679	6346	1933	5802	8439	0	8681	9596	20639	50964	6882	12081	0	0	5976	5754	3933	16545	7304	33799	5807	10027	15667	7242	11429	8844	5517	1631	12707	11164	11561	53119	3057	5308	9579	0	0	0	3641	4436	0	10349	8790	11116	13119	9425	0	7016	5053	8418	17231	3448	10955	7122	2032	5016	5735	18481	5544	15056	56010	2723	0	2531	1200	4673	9127	36166	8873	0	4789	17197	8578	6841	6037	14100	13054	13433	15366	42680	8664	12660	77813	9648	7134	6924	4074	1818	0	10356	12979	9348	12473	9856	14984	6524	4299	3644	8202	9784	0	17419	3192	Lipid	0.125	1.5	0.0
2	C18 H36 O4 N4	373.28094	373.28137	-0.15148881	373.28088	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12126	0	0	0	0	0	0	0	0	0	0	20494	9368	748	870	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22222222	2.0	0.22222222
0	C18 H36 O4 N4	373.28094	373.2813	-0.5505563	373.28073	0	0	0	0	0	9471	0	1358	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9267	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38557	0	0	0	0	0	0	0	0	0	0	28685	9386	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22222222	2.0	0.22222222
4	C18 H36 O4 N4	373.28094	373.28137	-0.22380313	373.28085	0	411	0	0	0	5569	0	0	0	0	0	0	0	0	376	968	0	0	0	0	0	0	0	836	5074	0	0	58486	0	0	0	0	0	0	0	0	0	373	0	0	0	920	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	303	0	165562	0	0	0	0	0	0	0	0	0	389	127551	1883	1145	0	0	0	0	606	0	0	0	0	0	0	0	0	0	0	5517	0	Peptide	0.22222222	2.0	0.22222222
6	C18 H36 O4 N4	373.28094	373.28134	-0.18707934	373.28085	1975	1335	1252	1286	0	7793	0	0	0	0	2999	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11486	0	0	0	0	0	0	0	0	779	0	0	0	0	3440	0	0	0	0	0	0	0	0	1814	1214	0	0	0	0	0	0	0	0	0	0	0	0	406	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10433	0	0	0	0	0	0	0	0	0	0	69961	4297	0	7302	1166	0	2774	2381	0	0	0	0	0	0	0	0	0	0	2407	0	Peptide	0.22222222	2.0	0.22222222
16	C18 H36 O4 N4	373.28094	373.2814	-0.18077499	373.28085	0	0	0	0	0	0	0	0	0	0	0	10378	0	0	0	12891	1717	0	0	0	0	0	0	0	0	0	0	0	0	12642	40315	0	7752	0	0	0	7467	0	0	0	0	0	0	0	0	0	0	0	3509	0	0	0	0	0	0	0	0	3788	0	0	9642	0	0	0	0	0	0	0	0	0	0	0	0	0	4278	0	0	10113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1518	0	0	0	0	1959	9072	0	0	41411	0	0	0	0	Peptide	0.22222222	2.0	0.22222222
26	C21 H40 O5	373.29486	373.29504	-0.16833755	373.2948	5196	3454	4225	3931	0	0	12686	0	0	0	0	0	0	2320	0	0	0	0	0	0	0	0	0	0	0	0	10855	2121	0	0	0	0	0	0	0	0	0	0	0	0	0	9101	0	0	0	0	0	0	0	0	4969	4458	0	0	0	6795	16425	0	0	0	0	0	0	0	98597	2813	2294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46317	47773	0	29664	0	0	10445	6534	0	0	0	0	4142	5137	17360	57309	311482	0	0	0	0	0	132820	0	0	0	Lipid	0.23809524	1.9047619	0.0
24	C21 H40 O5	373.29486	373.29495	-0.16705231	373.2948	1311	1874	1722	973	960	0	11409	0	0	0	0	0	0	1174	0	0	0	0	0	0	0	0	0	0	0	0	9183	1069	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1130	0	0	0	1625	6037	0	0	0	0	0	0	0	24147	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5759	0	0	0	3467	12406	19680	0	0	0	0	5647	3389	0	0	0	0	1349	1185	4234	11661	89036	0	0	0	0	0	36629	0	0	0	Lipid	0.23809524	1.9047619	0.0
26	C25 H40 O2	373.31012	373.31036	-0.20241398	373.31003	9612	10106	11163	12207	0	0	44076	43228	0	1451	7429	6462	0	7038	11564	34129	41653	0	0	0	0	1701	0	0	18758	0	50527	9451	41719	85688	24657	48211	11018	13661	1510	58628	9566	16478	37684	0	0	11125	0	0	0	0	0	0	57744	59457	12940	12496	9590	0	0	0	6065	33349	2982	8464	27528	0	0	0	12639	3509	12341	58282	0	1912	2079	4633	8805	18776	66610	36029	0	4438	21741	12863	9009	7765	7112	5557	0	11364	133286	0	14795	200583	10744	5332	10012	1856	0	0	12662	15001	2933	0	0	21117	4879	6039	0	6891	0	0	21126	0	Lipid	0.08	1.6	0.0
24	C25 H40 O2	373.31012	373.31027	-0.20618954	373.31003	3688	2636	5278	3642	0	0	11906	12336	0	0	1115	3235	0	1181	2143	12782	31836	0	0	0	0	0	0	0	2336	0	10687	2236	12641	25833	9175	14034	2978	4162	0	17087	3729	3462	32524	0	0	1850	0	0	0	0	0	0	24147	13919	3800	2807	5042	0	0	0	2585	6598	0	1944	6320	0	0	0	3789	0	2883	38000	0	0	1316	0	2561	7254	30928	13518	0	1068	4834	0	2747	1339	1187	0	0	0	30270	1257	3373	92591	2371	0	0	0	0	0	4207	5881	999	0	0	11153	2298	2022	0	2286	0	0	6457	0	Lipid	0.08	1.6	0.0
28	C25 H40 O2	373.31012	373.31042	-0.17989482	373.31003	4709	4031	3853	3527	976	0	17543	11183	0	866	4191	2671	0	2660	4250	5941	10744	0	0	0	0	833	2495	2854	9488	2428	16695	8156	13255	23377	5966	18431	4519	7448	0	19058	2201	6248	9502	0	1488	3307	0	0	0	0	0	0	9622	14849	2737	3069	3263	0	0	0	1779	9686	2927	2298	7673	0	0	1238	4999	1366	5527	13241	0	986	1638	1212	3322	7518	11034	8326	0	2186	11859	9587	3263	3633	2949	3320	2522	4000	77971	1261	4047	53945	6564	3354	3697	3484	0	0	3806	3236	1728	1581	2853	6630	3467	4868	3982	1638	0	0	6228	0	Lipid	0.08	1.6	0.0
26	C17 H11 O9 N1	374.05066	374.05093	-0.19914645	374.0506	3813	4110	3495	3936	6704	2757	0	0	7932	6809	0	0	10612	2229	0	0	0	12715	11329	0	0	15082	0	0	0	0	0	0	0	0	0	0	3161	0	9196	0	2464	0	2854	2671	7948	0	0	0	0	0	6236	0	0	0	4375	4621	3243	0	9388	0	0	2205	0	0	0	3078	13508	10448	0	7303	2258	2941	0	0	0	0	0	0	0	0	0	0	5890	8096	4811	0	0	0	5874	0	4448	3490	4359	4455	1845	0	0	19599	22562	0	4303	0	3022	4417	0	0	0	0	0	3667	0	0	0	19969	Phytochemical	0.5294118	0.64705884	0.05882353
28	C17 H11 O9 N1	374.05066	374.051	-0.14356585	374.0506	7857	8277	8908	8459	9998	6019	1638	0	11638	16411	3119	2054	16558	4279	4083	0	0	13703	15189	0	8855	15656	4825	4019	2363	0	1558	0	0	0	1984	1038	3872	1530	14172	0	3459	3069	3749	7094	16127	3200	0	0	0	7736	9908	0	1493	0	6378	6444	9228	0	14349	8603	3965	3701	2573	3608	2633	7601	16921	14575	3032	10599	6110	4041	0	0	0	1611	1003	0	2440	0	0	1223	7474	11611	5343	5142	1327	2105	10027	4237	4908	7009	4388	8507	3761	7376	8546	16221	22941	0	7018	6740	5835	6848	6252	5316	1860	4756	6324	4146	5518	0	1936	19797	Phytochemical	0.5294118	0.64705884	0.05882353
14	C17 H11 O9 N1	374.05066	374.05124	0.009117783	374.05066	2098	4986	2474	0	9874	2576	0	0	8056	2479	1567	1390	15299	2396	0	0	0	9441	9111	0	5536	20173	2028	0	0	0	0	0	0	0	0	0	1900	0	6215	0	0	2031	1753	2394	4349	2228	0	0	0	1680	0	0	0	0	0	3349	4686	0	7014	6241	2823	2019	0	0	0	3444	18839	9235	2978	9141	4623	0	0	0	0	0	0	0	0	0	0	0	3236	0	1911	1141	0	0	5145	0	4090	6065	3708	9323	0	0	7992	10229	7731	0	2391	2315	4801	11021	8272	2654	0	3001	0	1648	4846	0	0	11216	Phytochemical	0.5294118	0.64705884	0.05882353
22	C18 H15 O8 N1	374.08704	374.08743	-0.17138496	374.08698	9434	14415	12324	8302	15230	9172	2402	2425	11674	32289	14546	4472	17202	7164	3338	5266	4121	15154	8645	9115	19859	39094	6435	5032	3258	6763	2055	6865	2015	1401	1367	0	4089	2144	27879	1282	6059	3682	4675	25361	30490	5566	0	0	517	18060	27596	0	2379	1524	6947	10272	9663	651	14779	8290	5480	4106	6052	5419	5227	13408	18741	16057	6498	13261	6230	3258	12360	12282	19899	3862	1206	0	2635	2409	455	3470	12272	35707	5890	21520	4306	14278	12268	8339	15043	8006	6402	8476	6622	6151	6598	46924	53405	0	10586	6758	7862	13705	11081	7368	3657	6684	10842	2907	8431	0	3328	26034	Phytochemical	0.44444445	0.8333333	0.055555556
26	C18 H15 O8 N1	374.08704	374.0873	-0.2676536	374.08694	3688	4224	4411	3750	3715	4920	0	0	5174	15907	4295	0	6148	1926	0	0	0	9124	7415	0	11397	18546	0	0	0	0	0	0	0	0	0	0	3026	0	15349	0	2522	0	0	4883	9357	0	0	0	0	0	8330	0	0	0	3182	3218	4783	0	5955	0	0	2646	0	0	0	7843	6992	6997	0	6207	3165	0	0	4831	5657	0	0	0	0	0	0	0	4474	8673	4119	6177	0	2465	0	0	4515	3271	3015	3745	2290	4625	4364	17008	27619	0	3535	5389	0	2260	0	0	0	0	0	2782	0	0	0	10654	Phytochemical	0.44444445	0.8333333	0.055555556
8	C18 H15 O8 N1	374.08704	374.08762	-0.022819266	374.08704	8374	9161	8748	14628	16344	4563	1981	1361	17339	29826	24246	4266	25053	5313	2816	4633	2765	13874	15208	13146	25100	27110	6760	3575	737	7356	2193	6734	1863	1974	1749	958	4117	2221	38790	1297	4754	3249	4471	14293	28714	6561	0	0	0	5925	16512	0	3334	1305	10032	9027	8388	0	16209	16040	6776	3310	3179	3856	0	12590	28260	15837	5753	17966	5640	4045	15963	17591	33469	3142	1383	1362	2755	2196	0	1312	8102	12829	3920	5923	1456	5352	14148	5629	6686	7207	5760	9328	0	0	7953	28422	21110	0	10629	10331	14065	21836	18103	3877	3146	2877	0	3438	11256	0	1951	26495	Phytochemical	0.44444445	0.8333333	0.055555556
16	C18 H15 O8 N1	374.08704	374.0875	-0.07204323	374.087	54041	53106	52053	57913	60412	29637	16675	11181	56064	155266	102364	11860	86271	23541	14104	20823	18913	71160	66878	83338	117360	130152	27089	24239	16905	56787	12845	52743	11837	12291	13846	12244	24145	15075	192813	10236	27861	18003	16626	99041	131261	20936	1752	0	304	57868	82953	465	18218	13908	49946	57489	39604	385	59348	52769	26535	27818	16511	29500	22942	65552	101449	70086	22347	67401	29187	15398	80935	83306	108124	11638	7820	3169	9942	8271	0	12135	43237	116303	22416	52231	16337	56685	57585	28161	38824	28734	30799	54974	37745	53529	36726	149658	180696	0	44216	46419	36875	58759	55301	29945	10273	19972	43530	30700	42366	393	18172	96679	Phytochemical	0.44444445	0.8333333	0.055555556
18	C18 H15 O8 N1	374.08704	374.08746	-0.10446995	374.087	35119	45734	34531	37622	44361	21378	10840	9884	41979	119663	70681	9050	68712	20251	14572	23085	11275	56272	50012	50212	88234	108711	22020	24894	11854	29211	12131	32390	9258	10602	10421	11956	25252	10923	141123	8921	27803	15980	15018	75608	92392	19813	1872	0	421	40144	68939	556	9169	10016	42800	43087	29445	549	48501	36683	21347	28171	13988	18036	22713	60732	71365	42673	14500	52509	24896	20671	54920	58347	83928	9425	4656	3418	11049	10333	444	15231	37883	90794	22696	47235	13876	42475	49599	27340	31089	26124	23437	36233	29043	33142	39004	105064	153996	554	38440	38322	37879	48903	37704	23566	9065	17340	34402	20252	20886	391	16636	83354	Phytochemical	0.44444445	0.8333333	0.055555556
28	C18 H15 O8 N1	374.08704	374.08737	-0.2083932	374.08698	5218	4805	4890	4327	5467	3686	0	0	4016	19118	6267	2306	6046	2205	3057	2305	4161	9148	8251	4939	9137	16104	4230	3514	3691	0	1996	3600	0	0	1400	1615	2539	1147	17321	0	2255	2299	2395	8174	11434	2646	0	0	0	7440	9919	0	1780	0	4899	4310	3747	0	6221	0	2520	2943	2388	2935	0	7077	8254	5591	2644	5208	3296	2820	4652	5662	8164	1702	1953	0	2294	1844	0	1086	4237	11993	4464	4567	2888	2673	3829	3222	4061	3121	2804	5270	3497	4818	5248	15862	21728	0	4900	4343	2227	3026	1677	2216	1884	4091	4028	4085	2185	0	3170	7328	Phytochemical	0.44444445	0.8333333	0.055555556
24	C18 H15 O8 N1	374.08704	374.08737	-0.16166702	374.08698	4906	5176	7176	4683	4070	4256	2424	1611	7541	22206	7245	3204	10497	2105	2256	2708	2322	9935	8232	6321	10079	28320	2372	4193	2318	2286	1272	2711	0	0	1917	1663	1902	1201	18923	1159	1560	2801	1345	10950	14399	1936	0	0	0	9352	16288	0	1841	0	4877	3262	6272	0	10404	3467	3294	2583	1858	3246	2179	9208	12155	10007	1958	7541	3794	1829	4625	7319	10159	1802	1433	0	1553	0	0	1704	5534	19380	3659	6882	2103	5127	9779	0	2811	3212	4620	5079	1782	2827	5767	35101	30775	0	6203	4356	3008	5347	5114	3597	1426	2067	8078	2243	4803	0	2490	11036	Phytochemical	0.44444445	0.8333333	0.055555556
14	C18 H15 O8 N1	374.08704	374.08752	-0.05099609	374.08704	50804	43087	44767	54737	55243	26195	14512	14770	63742	164241	88290	11882	93196	26072	16147	22626	20548	66207	64373	93804	127448	134415	23572	24409	15294	55263	15524	66799	10958	10908	14075	9106	24990	9581	196865	12625	25998	19587	17992	90261	147375	25918	0	0	0	48516	79447	381	12670	13789	43644	47482	34160	277	75100	51457	24032	30370	19518	27894	19014	69279	106958	58218	23112	66232	32171	17767	85486	93444	142287	9903	5875	7333	17378	11389	0	14269	41883	117771	31381	50629	17366	52118	56335	26550	38149	31497	34895	56117	35045	49792	47195	154390	146448	0	55184	58425	41649	62979	54351	20485	13958	25942	63191	26846	39183	0	15541	88444	Phytochemical	0.44444445	0.8333333	0.055555556
10	C18 H15 O8 N1	374.08704	374.08755	-0.10453398	374.087	25783	23630	18482	18673	24779	13262	4443	5535	30297	55990	47136	7677	48778	9718	6986	11592	8091	27564	24827	33843	59586	56568	12758	9937	4767	20371	5880	18927	2556	3410	5846	4868	11015	3744	76579	3724	12001	6891	9833	36627	61460	12066	473	0	0	17051	43599	0	8205	5159	22424	23187	14130	0	32780	28848	10816	14007	5227	11818	8557	29384	44653	31855	9718	31366	10942	9177	57568	35723	67603	4489	4696	2405	6877	5333	0	6037	14603	32462	11680	15285	4656	12676	32436	10564	14628	12741	11788	16298	3481	12229	19310	56448	55631	0	31553	19122	23311	39306	31828	8496	5894	7603	19603	9947	22264	0	4451	47407	Phytochemical	0.44444445	0.8333333	0.055555556
12	C18 H15 O8 N1	374.08704	374.08755	-0.06971641	374.087	29183	37427	31298	29668	35862	20803	9948	12754	46028	98829	71797	10695	59539	15063	11254	14265	13443	42993	45995	56448	94420	92799	15672	14683	7476	34529	8371	40794	7435	5033	10724	7519	22462	5872	143293	3984	17465	14999	23495	59193	125346	19323	842	0	0	32384	69438	0	7908	7470	35856	35819	28916	0	53831	33378	19849	15903	11342	15532	0	59282	85786	52973	14881	53770	21239	13363	86239	76972	115430	5695	6686	2993	10756	7283	0	7912	30376	67499	17893	31896	13008	33163	44489	18408	27336	17760	18996	39674	21799	32655	34747	105207	83764	0	37142	37129	39946	50994	41624	19086	10130	15312	40652	20129	31877	0	11518	85102	Phytochemical	0.44444445	0.8333333	0.055555556
20	C18 H15 O8 N1	374.08704	374.0874	-0.16743341	374.08698	21638	23123	24394	23050	24127	16071	7348	6752	29030	71660	32027	6076	34604	15002	5124	10009	10586	31669	33322	27853	49181	71647	10862	12212	8069	19994	6612	17219	7088	4750	5801	5377	14847	5890	83329	4275	15445	8458	9238	51668	54098	13828	1851	0	641	26174	54040	702	6655	5164	21075	17599	24054	546	28044	18680	13330	9891	9518	9470	9854	32902	36756	27882	12162	28199	13623	6421	32451	30185	41484	7454	5375	1541	6914	4331	288	5706	19911	61841	12607	24161	8537	21035	27845	15947	18142	19358	15046	15582	19354	22898	23778	85370	79724	855	25254	22019	18857	27067	23747	7857	6567	11489	28177	12032	13197	939	9135	48945	Phytochemical	0.44444445	0.8333333	0.055555556
12	C15 H19 O8 N1 S1	374.09042	374.09094	0.014781309	374.09042	5233	9269	8445	8043	9716	6398	2956	4948	9105	22469	9112	3957	14145	2918	6667	4612	4425	15893	11738	19046	16679	26564	6146	6389	3271	6772	1555	0	3431	2818	3069	4032	8555	4582	23949	4035	7260	4661	3938	22126	14223	6623	0	0	0	13886	12173	0	4053	3367	7796	9994	7697	0	9227	5831	4767	5918	10715	8373	0	17282	8037	6698	3440	7195	5721	4073	0	9496	8581	4773	3012	2349	3515	1744	0	2526	6596	0	4171	7325	5151	9173	8800	4023	7195	6409	6176	6130	20181	32441	12072	19947	23473	0	7879	7381	5710	8602	6085	5861	2402	7189	0	8580	8126	0	2644	18439	Organosulfur	0.53333336	1.2666667	0.06666667
14	C15 H19 O8 N1 S1	374.09042	374.09088	-0.113734625	374.09036	9481	9411	7540	7835	7794	10791	3876	4000	9820	21807	12700	2688	17158	3073	5167	5927	6940	16997	11936	12147	16645	29643	4382	6959	4789	8383	3068	10383	6158	3409	5302	0	6709	3960	28624	3616	8989	4772	4941	25135	17113	6538	0	0	0	9530	9243	0	3618	3696	6689	4540	12258	0	9491	8881	4750	10141	13133	7649	0	23554	11093	6772	3246	7705	6720	6428	0	10882	13622	1942	2478	2195	5384	0	0	3932	6862	0	3000	8092	5981	12416	8723	3651	6355	6627	7438	10225	13522	34566	13826	21532	28406	0	10720	9291	4952	6734	6268	7196	3200	11599	0	6953	7976	0	4227	13710	Organosulfur	0.53333336	1.2666667	0.06666667
16	C15 H19 O8 N1 S1	374.09042	374.09085	-0.1180097	374.09036	8324	7885	4513	6902	9572	6842	2471	2974	5496	13886	8803	1803	11243	3473	3579	4719	5199	17361	11250	7787	10589	18159	4371	6364	2517	4789	3540	7117	3370	2581	2390	5291	3888	3790	20431	0	6351	3051	4447	17556	10357	5978	0	0	0	8261	8119	0	5526	4225	6906	10994	7334	0	7700	4957	4595	6042	9320	6107	0	14526	6098	6884	2427	7945	7036	3691	10421	12766	9177	2390	3817	2154	3553	1653	0	2890	3320	13305	1472	6762	4952	5437	6928	4708	4333	4919	6639	0	18303	21015	0	18482	26925	0	8908	10082	2995	2901	4103	4075	2580	8024	0	0	5962	0	3519	10418	Organosulfur	0.53333336	1.2666667	0.06666667
8	C15 H19 O10 N1	374.1082	374.1087	-0.11167312	374.10812	48293	52603	39739	50723	69632	37788	13006	34928	95032	60211	69302	33387	169967	22815	27982	37860	51500	110505	120609	62274	109554	68929	48417	32310	5936	4193	17803	14336	22602	25970	21147	24731	39202	27433	75033	27869	41701	21716	44243	33146	74574	58441	1414	0	0	29272	55989	0	28229	30953	49113	46861	56992	424	145050	120963	46978	28585	26923	47341	34376	38858	148512	136962	46359	90258	45722	45076	31462	8393	26515	22842	22681	22370	35516	22748	0	26951	29526	35377	23378	13453	13784	9120	109061	45884	24064	54872	54872	42838	11621	26215	43096	65690	64507	459	46184	62711	81664	95407	120480	54579	27931	38280	24814	35065	94274	0	10960	158984	Phytochemical	0.6666667	1.2666667	0.06666667
18	C15 H19 O10 N1	374.1082	374.1086	-0.07965426	374.10815	14433	13609	16065	11260	24513	19575	4921	8570	28072	5417	12670	17618	46847	13252	14640	10798	20316	35980	28872	10263	24457	8629	22694	9219	1961	2248	5839	2463	9038	9331	7436	7972	7612	6621	6974	8492	8861	11457	9353	11895	20577	22632	1684	493	1141	5214	27308	930	7616	9327	10437	12583	21571	499	46127	32303	16151	9930	7525	11473	9353	18300	31805	40719	16134	27018	15381	9472	32249	5451	23046	12789	6328	8739	14082	5818	679	14462	10235	8852	9142	11083	2820	3315	48166	19860	6029	19567	11615	4907	2763	7052	13053	12154	8876	446	9791	17044	26014	21721	32563	15212	13570	8761	10660	11361	28581	472	4841	34049	Phytochemical	0.6666667	1.2666667	0.06666667
10	C15 H19 O10 N1	374.1082	374.10867	-0.10867708	374.10812	82947	72486	67021	67953	111893	72469	25581	49331	181245	88642	100165	51998	281075	43664	46586	49992	71124	207792	189325	105564	179355	102190	76636	50720	11274	8255	21936	22097	47113	47964	35682	38366	74389	41689	122576	45455	68869	44135	54697	62559	109472	96105	3704	0	553	46032	88171	0	38577	49653	74156	77198	96089	842	292941	188974	65450	37513	48631	72336	51534	76835	229986	218224	66397	139232	79751	69556	73563	23583	50511	39697	39001	37392	55071	32693	0	41925	49266	57446	42067	27838	17002	13731	164664	65537	41781	77189	76958	47530	15851	42273	68933	110620	96709	556	74490	100254	122131	134711	165186	85058	49681	58578	77579	46776	134619	0	19793	248717	Phytochemical	0.6666667	1.2666667	0.06666667
16	C15 H19 O10 N1	374.1082	374.10864	-0.079266064	374.10815	32965	27816	37356	30241	52751	42554	14198	23166	70848	12558	33205	35786	113746	27151	29916	25557	46332	97262	83159	31455	63598	21785	54540	30395	7582	8732	11864	6829	16874	20827	26115	15376	24989	16001	23088	17812	22979	26311	23996	27786	47346	45698	3008	725	796	27024	49248	747	17093	28982	31039	28583	54158	513	93409	71413	39343	16769	25090	28880	23889	37729	87563	87618	32621	63434	40087	24957	66524	12383	43858	21022	19761	24557	30259	18260	869	23073	22053	26056	20948	24846	7483	5262	83346	30758	19566	34765	41294	0	5588	16058	0	25371	22221	907	36529	41292	60952	50102	59971	37725	26743	19171	24654	28660	61490	894	9659	97871	Phytochemical	0.6666667	1.2666667	0.06666667
6	C15 H19 O10 N1	374.1082	374.10876	-0.11494626	374.10812	18315	17551	17282	17823	28668	13170	6436	19642	38572	22374	21144	13757	62073	8771	10216	15654	19897	49518	44864	20077	42675	23751	16015	19232	3827	1981	6654	3551	16317	12715	10455	11557	20866	10420	25818	12739	14264	9924	19242	9535	18491	24540	0	0	0	10402	21660	0	11122	11322	16601	21233	24564	320	55170	48950	17267	15006	11284	16569	16197	9133	66756	45279	17327	34716	21736	24619	9628	3959	7228	8611	11966	10294	12059	10778	0	8495	9204	6189	8503	5313	5405	3313	46429	22429	9817	24687	22434	18172	4774	9299	17962	16614	15992	0	16826	25202	23213	40317	52379	21832	11023	14718	9379	16359	37686	0	4575	70061	Phytochemical	0.6666667	1.2666667	0.06666667
20	C19 H19 O7 N1	374.12344	374.1238	-0.11370659	374.12338	47479	58005	45827	43323	42210	38407	18433	24257	45028	164906	87557	15031	54119	29587	19374	28353	17013	60627	55258	97182	115540	124817	23173	38996	26285	100371	16545	84152	19688	12312	16319	16738	29218	20365	193584	14707	34595	19915	20373	119797	111092	29038	2610	0	759	75826	78267	1014	20301	13452	46635	53544	37472	1068	43437	30383	21894	34150	28716	24586	34517	72437	56648	33399	20235	50205	30704	18337	100769	136265	149374	21262	17105	10062	12609	15939	447	12997	31945	95459	23795	50078	20313	68994	41874	23491	36890	28923	32406	38283	53489	62699	50733	104469	131152	836	49234	49134	30410	36262	42810	26828	16186	31528	57827	32620	32688	869	23120	71405	Phytochemical	0.36842105	1.0	0.05263158
8	C19 H19 O7 N1	374.12344	374.12396	-0.096673116	374.12338	44030	45817	33653	40657	49474	29590	12805	19587	40281	137485	72115	13403	49629	19689	18455	30054	19996	34127	43221	105122	130113	83560	22696	28558	11045	70452	16110	48578	17705	17655	17607	20163	27579	18255	168311	16699	23021	18772	22623	86436	111362	15026	592	0	0	53928	77293	0	23671	16610	38853	44315	29547	0	44000	31045	18580	22532	15474	27249	27591	55654	50888	40936	13201	38369	22172	25897	121687	138589	204011	20837	17597	12824	12093	18154	0	13757	29209	48358	23658	33215	16046	42121	49876	19640	27854	17149	21531	38298	29197	31210	40131	74593	90520	0	40448	44237	36417	41560	41671	25123	13911	32836	26188	21471	34867	0	15805	58944	Phytochemical	0.36842105	1.0	0.05263158
18	C19 H19 O7 N1	374.12344	374.12384	-0.099420995	374.12338	94758	95682	88659	83061	69168	57300	28002	41873	67255	297174	191429	26809	108041	52330	35520	55156	37478	106540	111735	219831	241184	175510	42261	57714	42376	205863	30971	142347	42568	25878	36632	41268	63589	38813	333070	29562	73491	30423	39954	208959	201945	46146	4578	620	556	112793	123541	915	39128	32109	93981	86825	62199	548	77794	64721	36486	69528	45993	43321	52818	147781	121086	73639	28521	93435	55297	45038	203246	263972	309964	39240	31052	22349	31423	35230	368	24941	59036	136977	42662	89075	46733	131607	79454	49837	58270	59571	52139	63340	91910	121596	88987	160308	245253	1383	94362	93418	53747	61188	55318	57167	27191	56820	73543	52197	53791	611	39295	109880	Phytochemical	0.36842105	1.0	0.05263158
22	C19 H19 O7 N1	374.12344	374.12384	-0.099927954	374.12338	20660	22621	18352	23764	12500	13770	2868	6915	17001	59649	36971	4956	18127	9514	7202	9066	9100	24934	18605	38253	55150	42551	11929	15936	8592	32170	5788	33630	8175	5451	5043	5515	14620	7234	67759	5635	10829	6740	6660	45769	42903	6972	0	0	611	29195	39175	0	5651	2901	19241	21848	11697	614	14302	13099	8011	9043	8162	9631	14586	34426	25466	17983	7463	22434	11768	8905	46277	61162	61834	9254	6192	2334	4437	7240	487	5675	18680	40249	11657	22924	6045	29798	18971	10699	12086	10540	8643	14646	16612	20640	11701	46595	56205	0	16069	20731	11677	14720	9737	12721	5593	11724	22918	7683	12926	0	8717	25898	Phytochemical	0.36842105	1.0	0.05263158
6	C19 H19 O7 N1	374.12344	374.12402	-0.089879416	374.12338	27412	29898	27329	28376	22009	16902	7166	18498	33530	68111	41531	14945	47504	11477	14483	20121	18568	36301	41963	47239	82250	47568	16602	23601	5892	34013	9946	26048	14262	14780	16808	13514	21722	13922	77595	14407	18381	14897	14983	36357	58431	17708	0	0	0	25246	49364	0	19249	15147	28001	29893	20536	0	38344	25553	13536	21067	13972	20699	28459	25767	53060	28641	15613	30575	22399	26332	62863	61146	104169	15575	12987	12521	12422	10722	0	10794	20830	22580	14190	16714	10236	18470	28375	13164	19789	21911	17632	36533	12284	18765	41924	37594	47491	0	31446	27098	21221	27822	28356	23536	13325	15670	21051	21826	19434	0	10304	53672	Phytochemical	0.36842105	1.0	0.05263158
16	C19 H19 O7 N1	374.12344	374.12387	-0.08893269	374.12338	120594	130521	112555	108269	82378	69818	44193	57317	91641	391950	213334	39252	121363	53105	48625	78833	58933	116286	117692	273071	329512	226868	63108	81478	55019	286536	37594	172354	48708	44478	52693	55080	85777	44663	462059	45287	76885	37001	59268	272039	258476	50312	2704	0	600	134353	168909	949	57902	46983	124194	121458	72660	677	92124	72111	45561	75660	62107	62316	64503	167392	146252	82847	37931	103823	64451	53034	284440	414136	399239	43181	48047	37474	45752	48330	689	37989	75655	182917	50138	105250	64999	154636	84018	50793	72550	66674	65683	125934	124996	139901	133811	191076	289941	846	117507	117947	61384	70873	81983	76826	33689	76882	95820	77476	66358	746	61201	139028	Phytochemical	0.36842105	1.0	0.05263158
12	C19 H19 O7 N1	374.12344	374.1239	-0.108595416	374.12338	72881	81829	84946	86984	61809	37768	45572	50675	67209	236285	141768	34413	79110	33595	34925	52529	42203	79170	83468	207366	265963	173900	50024	57607	34039	205975	31361	145070	41082	36315	44055	37646	59213	34688	318730	31184	51705	40560	50442	171031	241375	38427	1145	0	0	111553	135080	450	49231	30967	82662	76571	51893	0	82358	51519	32053	55814	39492	54145	44662	126733	101015	65116	24257	72467	41394	62269	289427	325387	390166	35407	32459	28233	34354	35462	232	32040	59394	113915	49060	80961	46696	99224	57917	36334	58634	34770	43882	92051	67890	75194	76727	138989	149631	539	82762	85261	55906	50621	54349	50644	33087	59234	56729	54794	51452	386	40723	105313	Phytochemical	0.36842105	1.0	0.05263158
4	C19 H19 O7 N1	374.12344	374.12405	-0.15869667	374.12338	5675	7152	4578	5103	5833	2640	1909	3887	8925	16033	10720	2347	12358	3440	2833	4178	4246	7186	7809	11671	17398	11307	3805	4355	999	11911	1310	5098	2489	1977	2242	2476	3261	2014	19109	1779	2858	2036	4229	8551	17010	3341	0	0	0	7635	20542	0	3116	2366	5936	5255	3691	0	8559	8268	2097	3397	2455	5059	3764	7874	9596	6650	2410	5780	2354	3972	21208	12730	29067	1652	2339	2945	0	2473	0	2109	4762	6986	3977	6474	2715	5574	7447	4899	3962	3472	3366	5633	4524	3874	6074	10534	12320	0	5055	7638	7003	8252	8072	3761	2458	4542	6695	3141	6494	0	2370	8509	Phytochemical	0.36842105	1.0	0.05263158
24	C19 H19 O7 N1	374.12344	374.12378	-0.12873715	374.12338	7137	7948	5525	7021	7542	2601	0	1768	6601	22860	12949	2985	7696	3920	3141	3942	3459	6654	6544	9325	16002	17456	5085	6808	2808	12822	1403	12921	1456	1964	4644	1105	4303	3062	27922	3296	3897	1919	4411	19583	20430	2775	0	0	0	14608	18662	0	4365	2390	5835	6227	4725	0	8339	4685	2404	2645	2992	1793	3296	14478	10428	7725	1974	7126	4829	4283	15986	12587	26295	2609	1675	1609	0	2908	0	2892	5414	15184	5758	10445	2224	8861	6478	3328	4292	3859	6061	6661	4677	7973	6251	15590	30258	0	7486	5484	6073	5535	5813	4109	2242	3540	7064	4228	5197	0	4649	10114	Phytochemical	0.36842105	1.0	0.05263158
14	C19 H19 O7 N1	374.12344	374.12393	-0.08031708	374.1234	117228	120887	103868	109195	77959	56090	48071	54161	94000	345727	195127	36820	107667	52910	46127	65784	50935	104403	104304	253481	310983	214957	58801	77816	53139	285037	42062	183823	41897	46203	43123	64897	75222	44823	408308	46689	67161	43850	58327	228498	250654	49950	0	0	388	147601	153565	581	58673	51436	110382	101502	63548	473	107515	74915	39055	74783	68000	63887	72680	163439	126683	90455	38540	98113	52691	56539	298150	397135	429246	45690	43028	38587	40930	45147	399	36922	69679	157958	60114	99664	50237	147294	75355	50667	72659	51610	59830	112877	105703	113757	115186	171020	222857	873	119050	111002	62477	74750	73281	58565	42127	97268	100348	67491	56809	0	51537	118636	Phytochemical	0.36842105	1.0	0.05263158
12	C18 H19 O6 N3	374.13467	374.1355	-0.005220721	374.13467	0	0	29611	23984	21041	14636	30944	30497	15857	33198	23469	23544	16441	0	27854	0	40201	24564	36060	34595	44407	54392	28318	32487	28529	23455	16363	22489	27750	20326	26869	0	38406	22870	43087	24188	35044	22473	41433	46116	53443	20343	0	0	0	35505	34854	0	27374	28197	29873	26862	19876	0	21512	10715	14710	0	26814	26280	40311	31590	17726	15078	0	22291	19452	44107	23434	40686	40658	23078	20189	19294	18403	19491	0	20560	0	36440	25462	29363	0	0	16823	13380	0	19604	19516	76506	28934	41916	0	41189	30794	0	31225	25459	12659	15778	10523	33479	19840	23143	24246	39763	13149	0	32783	29342	Peptide	0.33333334	1.0555556	0.16666667
8	C18 H19 O6 N3	374.13467	374.13528	-0.09097125	374.1346	0	37349	0	42577	19997	17714	0	0	22455	51990	28687	25452	26887	0	24339	40540	37164	25819	30606	49953	58442	62235	35064	0	0	22531	20136	27123	29100	23084	31608	34705	34702	27701	62662	29672	40877	28469	0	57491	63185	18309	0	0	0	44294	57322	0	0	28988	37099	38421	19521	0	23671	15326	17549	43262	22048	36248	41142	41594	29895	23082	0	18574	22561	46481	33735	48117	54809	31099	26175	0	20814	27926	0	22152	0	25988	31052	27720	26327	0	17196	14542	0	25777	20725	73469	36856	51780	73965	0	57222	0	41357	36683	21141	17964	14646	35464	20265	48257	20190	41292	17330	0	33575	26268	Peptide	0.33333334	1.0555556	0.16666667
4	C18 H19 O6 N3	374.13467	374.13522	-0.15032479	374.1346	9440	10516	10531	9868	5311	0	4356	10647	7634	10689	8194	0	9191	4388	7394	8623	13293	8508	0	9101	15994	16080	9440	12556	4799	7559	6968	3983	7801	7415	8102	8263	0	6903	18120	8131	11158	6641	15596	12827	17626	6843	0	0	0	9976	18168	0	8973	7022	9102	9514	5277	0	10895	6522	3883	9629	6039	9887	12458	10553	8552	5868	3556	0	0	13986	10652	10166	17423	0	0	5781	3276	6241	0	6554	0	8238	8197	7390	5986	6395	8701	6392	9921	7249	5708	17604	9089	9350	20024	9435	12839	0	10934	8743	7899	9279	0	8392	4981	12332	10137	8438	6454	0	6599	9848	Peptide	0.33333334	1.0555556	0.16666667
20	C16 H23 O9 N1	374.14456	374.14496	-0.12311617	374.1445	41396	39650	35606	37953	40772	26580	18114	45919	43601	34987	22696	36695	64559	23008	37832	40338	40845	71998	57647	42573	62328	24407	44576	55017	26030	38963	23116	14638	40368	41414	33393	33490	33499	34145	22839	35348	0	24226	34310	39632	49190	35467	3201	1719	1316	33986	50452	1256	35793	45737	38122	33979	37296	1600	70498	44234	27848	32783	23957	32897	37830	36662	48240	56928	22019	35101	32653	29858	68256	50946	58481	42615	40400	48142	36873	26112	1456	32142	35908	22876	33605	25482	24932	30389	59923	28531	25295	30537	29055	12746	21112	23173	42953	23260	21959	1926	38589	41964	35918	34605	44219	43945	29777	45533	28978	32014	41480	2030	24449	64766	Lipid	0.5625	1.4375	0.0625
2	C15 H23 O8 N3	374.1558	374.15643	-0.1710139	374.15573	10141	11370	10032	9820	9139	15814	4778	12946	10910	3000	6977	8498	18626	3362	7915	2061	10248	14294	16102	3505	4643	13117	10047	10181	5177	0	0	18617	14764	6405	11273	12606	19111	11702	6275	10666	13391	6612	10725	2766	1964	8947	0	0	0	3406	1812	0	12256	6556	10254	10397	11548	0	12540	6496	4496	14576	3469	3255	3819	863	17631	10586	4173	16694	13464	11878	0	1580	769	11779	12141	8709	692	7557	0	6341	6573	7147	4656	1512	1904	759	7751	5101	8027	12187	13105	18324	67098	37670	21376	5485	762	0	11257	9867	5313	8173	8341	10671	6926	4308	1550	16486	6025	0	5406	22679	Peptide	0.53333336	1.5333333	0.2
6	C15 H23 O8 N3	374.1558	374.15637	-0.058351368	374.15576	8708	10517	8634	12197	6508	6500	5926	12210	11608	3983	3441	8367	11131	1859	11403	14262	11705	12879	13497	4785	4517	14604	11084	14110	4843	0	4951	6674	11309	9896	7293	13652	19289	8831	7432	11259	14028	10055	16297	3680	3083	7002	0	0	0	7249	6615	0	15909	9655	11186	11902	8873	0	15069	5449	4640	14413	9125	6950	13295	2601	24776	12207	4250	11818	10169	11017	0	1828	0	9959	8872	10380	4973	7539	0	6219	6863	9438	4583	2270	3153	1152	8032	6564	8876	9588	9645	20073	13313	17998	23260	3904	3699	0	9909	8846	4604	4943	6237	16921	8490	8430	0	13696	6168	0	6167	15949	Peptide	0.53333336	1.5333333	0.2
0	C15 H23 O8 N3	374.1558	374.1565	-0.3010881	374.15567	4673	2613	3522	4377	3478	8864	0	6114	3779	1135	2527	2420	6204	0	1625	0	2370	5699	6609	0	1833	4668	3587	5897	3380	0	0	5441	7721	1970	3036	6352	8454	7059	2130	4264	6855	1238	3280	0	0	8691	0	0	0	0	0	0	7205	2155	5463	3416	4461	0	3728	1428	1328	8068	947	881	2990	0	7685	3374	3255	8923	6841	2609	0	0	0	5894	4313	3758	0	5527	0	2339	1686	1758	0	0	0	0	1474	0	2043	5165	6812	3095	23978	7089	7851	1401	0	0	4623	4621	1395	1892	1520	4930	0	2294	0	6299	1471	0	1569	9718	Peptide	0.53333336	1.5333333	0.2
4	C15 H23 O8 N3	374.1558	374.1564	-0.11866397	374.15576	7321	7369	5468	8315	4223	4420	2919	7035	8479	3487	2635	4353	13289	2530	6145	7795	9046	9225	10121	2345	3711	7988	6669	8716	4397	0	3014	162614	5464	4758	6451	6618	7556	4583	5413	6118	8501	5059	13120	1771	2041	5858	0	0	0	3331	2430	0	7814	6036	7993	6847	7370	0	10757	5882	4634	7757	5310	3591	8893	1339	12616	8066	3472	8801	4550	10360	986	0	0	4547	4933	4489	2653	4227	0	3857	4652	76938	4272	2171	2163	620	8559	5776	5940	5558	5938	12368	14221	11157	14758	9141	3075	0	7349	8321	4017	6869	6199	8105	5199	6424	0	8006	7475	0	3854	15455	Peptide	0.53333336	1.5333333	0.2
8	C15 H23 O8 N3	374.1558	374.1563	-0.10887891	374.15576	16170	16396	18549	13246	9019	8098	13378	23294	10972	8380	4818	16664	13444	4804	23418	26264	17770	19440	17770	6076	9456	28833	22115	33516	14972	2485	9577	10284	18607	15682	19070	20826	28206	20224	19132	17053	20712	13630	24554	4742	3202	8936	0	0	0	6508	9202	0	24965	18596	15480	16423	12834	0	21932	6251	8525	25893	15904	5922	27710	5248	16566	14892	5818	13763	12073	23684	0	0	0	20670	18636	16766	14943	16094	0	15483	15224	10132	12036	6844	7082	0	8825	0	21009	16447	16780	39674	26370	24422	48684	7508	8465	0	13700	14705	7911	5746	6566	26838	16822	12938	0	26595	7284	0	12074	17874	Peptide	0.53333336	1.5333333	0.2
24	C20 H23 O6 N1	374.15982	374.1602	-0.13781224	374.15976	14010	15031	13080	15300	16371	7953	4917	8959	11929	32961	26294	6211	18068	8048	4860	11090	7843	11703	17287	23215	30020	20580	10689	12616	8458	28625	3705	24570	5888	6807	7788	10645	11844	10745	34912	9256	16734	4900	10834	28994	34009	8202	0	0	0	23437	19997	0	11222	8074	14962	13507	12874	0	11763	8887	5445	13351	8177	9886	15587	17659	15387	7128	3923	14641	8831	8002	36340	40704	54114	11532	9598	5477	6063	8165	0	7152	9661	14784	8637	13474	7159	16509	13670	6411	10822	10989	12123	13204	14090	10633	15891	19282	22489	0	15865	14540	7663	9772	12727	10328	4745	15089	10431	11222	7113	0	7030	12002	Phytochemical	0.3	1.15	0.05
16	C20 H23 O6 N1	374.15982	374.16025	-0.15039732	374.15976	133203	144375	135422	142366	88623	79885	72513	111410	80487	323632	197938	70212	89094	56449	73880	116317	108656	109293	121755	351575	363238	198245	78669	125128	83964	400949	67667	187424	90550	78257	87515	94690	119798	86624	364051	89749	114598	63564	107277	297675	294845	64452	2820	364	637	153879	156603	916	121266	95793	150910	146640	81671	853	81635	66344	52396	106985	78488	102094	132593	169491	87222	69293	40128	92105	79253	111083	355606	552341	525923	96827	95703	77006	91446	91808	391	61452	110686	144629	84882	118604	90679	187068	80946	53696	111250	79602	75878	191803	145851	143533	216908	150213	234339	1223	139201	141127	63251	63444	61994	110489	56072	122732	80089	111958	65354	630	101054	100683	Phytochemical	0.3	1.15	0.05
4	C20 H23 O6 N1	374.15982	374.16043	-0.18139647	374.15976	16833	19550	19194	16082	10893	34792	9651	18147	10857	40938	22635	10783	12367	11215	13268	16711	16719	14513	19596	42229	55641	25611	11915	18672	11586	49651	8880	15461	14232	12796	13299	13521	18215	12829	48946	13413	17459	10066	20451	27895	34894	13148	0	0	0	24676	36526	0	15870	15674	19031	16772	10011	246	17436	8223	6452	14131	4329	11261	15311	21237	16361	11656	5056	11823	9611	16608	50667	54760	71076	13674	10855	17510	11467	13003	0	10220	14886	19313	12432	15567	9370	19069	10557	8124	13984	8792	10313	19428	15872	17994	26297	18896	34476	423	17710	20483	11529	9704	10222	15662	9442	23705	18152	12365	8066	0	10052	14421	Phytochemical	0.3	1.15	0.05
26	C17 H27 O6 N1 S1	374.16318	374.16336	-0.11648798	374.16315	2521	0	0	2143	0	0	6135	0	0	0	0	0	0	0	9991	0	0	0	4311	0	0	0	0	0	0	0	7588	0	0	0	2339	0	0	0	0	5861	2132	7833	4174	0	0	0	0	0	0	0	0	0	2145	0	0	2215	0	0	0	0	0	2655	0	0	0	0	0	0	2772	0	0	4910	0	0	0	0	0	0	26344	0	0	0	3593	0	2614	0	0	0	0	0	7741	0	0	6681	3416	2323	0	0	0	0	2803	0	0	0	0	0	0	0	0	1358	0	0	4660	0	Organosulfur	0.3529412	1.5882353	0.05882353
10	C22 H24 O3 N1 Na1	374.17267	374.17313	0.11334366	374.1727	81562	0	0	0	30852	35156	61980	87326	25300	98816	50812	54984	18387	24358	65304	92950	0	29646	52262	103270	94080	0	68574	125938	75138	50594	64784	44760	90437	81328	0	91150	0	147949	85838	82185	7916	0	0	126890	116754	45258	0	0	0	99842	114568	0	32092	78012	82284	72510	32076	0	32240	15474	0	0	57766	79572	101012	69916	17006	27074	20330	29796	40504	110492	45446	98926	89474	128496	102328	60796	67700	15426	0	0	0	74400	0	61930	0	81560	15664	23834	0	0	0	1286	154650	111300	0	74696	110812	0	86714	78156	20748	16188	14350	83094	0	109206	50912	0	18810	0	0	25442	Phytochemical	0.13636364	1.0909091	0.045454547
12	C22 H24 O3 N1 Na1	374.17267	374.17322	0.18094532	374.17273	514830	472524	582886	441792	548948	531304	640228	1386136	733504	536558	436542	558364	912182	271028	971588	730262	968598	1126292	1274646	1057624	1174644	753448	1123324	899760	931634	753776	339916	432130	1419870	838479	899054	760550	1086496	687098	975852	1038781	715341	815936	711152	627868	564274	610086	28626	4058	4168	898770	661180	3218	821547	798467	609821	511908	648654	4716	1421696	790874	478112	821006	881170	729334	744946	581808	931204	746170	413416	815670	598842	871126	804706	948670	835676	727482	994907	962492	441545	917096	1008	775270	948382	661104	876334	603400	759798	463096	847206	614496	854474	371236	633102	911334	539864	791718	1231402	486726	333102	10424	569294	802020	575626	618824	764624	804152	630990	692078	543788	807745	736824	3428	718048	949602	Phytochemical	0.13636364	1.0909091	0.045454547
16	C22 H24 O3 N1 Na1	374.17267	374.173	0.19908914	374.17273	56331	55761	62432	52722	39237	36864	52143	73153	17619	33093	22683	38544	25776	17856	46929	80760	74106	34032	46476	70725	50547	84858	50223	88959	72144	40176	58161	43365	61902	43971	61321	55204	106009	48435	57378	67275	129523	45447	73119	50574	58311	44169	0	0	0	39642	36204	0	84874	67112	37368	61737	38772	0	30450	10125	23997	91905	35754	38949	58047	40671	20508	0	25530	27849	41238	82167	42402	66066	53919	83657	59382	45634	65229	70550	0	38533	61362	64317	46677	34020	49476	36846	15945	22224	85275	48993	44478	115449	116757	103062	151089	39618	56865	0	59163	68739	16263	17751	0	80078	34872	97272	0	110481	24972	0	78336	44715	Phytochemical	0.13636364	1.0909091	0.045454547
6	C16 H27 O7 N3	374.19217	374.19275	-0.09275597	374.19214	8824	10529	9955	10220	4321	5812	6960	15347	4688	3318	2709	5861	8672	2103	13244	25801	6958	9646	8938	5108	3592	8628	10844	17554	11252	0	8758	5959	13181	8496	12137	11115	14224	13988	6354	14231	12384	9807	11610	1452	1699	4392	0	0	0	6473	2117	0	14531	8787	9630	11542	5603	0	7002	2442	3087	25386	3891	1956	22486	0	5316	4938	3134	7808	7302	12215	0	0	0	7262	10940	9902	6517	8907	0	6317	7203	15056	5577	4464	3607	0	4508	4523	10620	5692	6849	16574	53565	29937	21167	4519	2203	0	12246	9232	2836	3121	3472	13989	7015	7339	0	13414	4388	0	8509	8997	Peptide	0.4375	1.6875	0.1875
8	C16 H27 O7 N3	374.19217	374.19266	-0.11494869	374.19214	6122	6715	5367	5747	2489	3232	5880	9901	2725	0	2326	6715	4142	4827	7112	11200	2875	2505	5962	2297	1233	8409	4488	6399	8837	475	7129	6749	6243	6335	7299	6580	6051	5434	2415	6208	8702	5693	5540	0	1013	2955	0	0	0	1748	0	0	7635	5945	7168	7801	3381	0	4349	1097	1660	9520	1699	1084	8819	0	3266	2646	0	5038	3459	4895	0	1386	0	6540	6322	7502	2764	6636	0	4997	4953	8558	3526	4827	2134	0	0	0	5607	2673	4674	9925	31976	21830	16960	0	0	0	4743	3588	1381	978	0	8040	4881	3052	0	7336	3557	0	5264	4541	Peptide	0.4375	1.6875	0.1875
4	C16 H27 O7 N3	374.19217	374.19278	-0.18367091	374.1921	10951	9616	8841	8404	4194	7653	6906	13659	7673	2821	2542	5994	8572	4296	12739	20337	13649	9554	8207	3247	3823	8961	9834	13448	10866	0	7065	4260	9735	7130	10733	9572	12725	8645	3802	9843	10106	9532	14559	1159	867	4757	0	0	0	5292	3519	0	12136	7787	6334	8659	5561	0	9738	4778	4295	18408	4522	2350	16277	1780	7473	6789	3153	8559	4642	13108	0	0	0	7604	6639	7366	6206	8412	0	6346	11514	9976	9815	3065	2832	796	7514	6603	12366	5736	6559	14712	36452	20854	19147	2288	1876	0	7875	8648	7060	5036	4950	10024	7568	3881	0	13196	7274	0	8919	9402	Peptide	0.4375	1.6875	0.1875
24	C21 H27 O5 N1	374.1962	374.19656	-0.15857263	374.19614	40420	43612	34839	42048	51571	32856	10957	30347	27629	67705	66450	16403	31075	21802	22049	35170	29559	31129	43390	71515	78756	39034	26330	39718	17553	95415	13873	66676	25271	33774	24309	33014	35985	31016	71149	28912	39604	15420	26576	67863	69806	26301	0	0	0	41132	47074	0	31720	24754	39437	38505	33378	0	25846	26593	15335	33231	20027	26091	38308	48532	28089	21887	12348	43521	30598	27838	99042	101011	109644	29346	29278	23565	21167	32444	0	16991	26278	32876	17802	25717	22068	54101	42264	22060	29352	29954	28436	49519	33933	44026	37859	35879	47947	0	33503	42616	26841	31537	23650	35338	18498	39693	26609	36499	36815	0	23640	29734	Phytochemical	0.23809524	1.2857143	0.04761905
26	C21 H27 O5 N1	374.1962	374.19653	-0.19045086	374.19614	6849	7164	8228	7765	12144	3909	1902	7447	5411	8738	13017	3574	6681	4632	0	5778	5481	8475	7506	13687	15268	7838	5395	8231	0	18849	2918	14990	0	6035	7073	4657	8282	7083	9148	0	8509	5139	8001	11188	12890	0	0	0	0	5432	7804	0	4985	5998	7557	8217	8358	0	5094	7855	3861	9606	3687	3853	7702	8041	6275	7295	0	6696	5731	6200	21126	16549	24849	4240	5307	0	0	7440	0	5554	13081	6459	3476	4347	6041	7923	5134	0	14038	6059	5753	12042	7717	6645	15554	6373	8959	0	6404	7851	4322	8285	6971	8281	3872	7262	0	8544	6176	0	4636	7211	Phytochemical	0.23809524	1.2857143	0.04761905
24	C18 H31 O5 N1 S1	374.1996	374.1999	-0.1607509	374.19952	4099	2911	3413	3420	0	1071	0	10779	0	0	0	1249	0	0	0	3009	0	1812	0	1773	1468	6309	15050	28671	5735	0	0	0	7186	40135	10695	15315	15255	15721	0	8022	14793	1226	0	0	0	3040	0	0	0	6110	0	0	1596	15322	3894	4861	976	0	1159	0	902	10366	0	0	9518	0	0	0	0	2186	2058	0	0	0	0	6406	7611	12882	1222	15165	0	5384	0	0	0	787	0	0	0	0	0	1102	1686	2852	8655	8649	19761	1495	1610	0	3229	4009	0	1468	0	14785	3509	0	0	8998	0	0	0	0	Organosulfur	0.2777778	1.7222222	0.055555556
28	C18 H31 O5 N1 S1	374.1996	374.19983	-0.1549869	374.19952	3930	5399	4656	3853	40327	12102	935	0	9750	2506	0	832	8001	26413	0	2706	3396	15930	18527	0	1924	903	0	0	0	0	1722	1680	1970	0	1075	1937	2553	2334	1845	0	1570	0	1898	6040	4400	17584	0	0	0	6741	7546	0	3105	0	4057	4679	24404	0	4690	1949	11926	2162	0	2518	1761	1763	2562	5977	21578	20473	37944	3633	0	1264	0	0	1867	0	0	900	0	0	0	0	0	3354	2843	3837	3700	10349	1204	5100	7198	1505	3383	3403	0	0	0	0	4321	4286	8254	765	2113	0	0	4823	3856	0	17261	0	2790	4150	Organosulfur	0.2777778	1.7222222	0.055555556
18	C18 H31 O5 N1 S1	374.1996	374.2	0.024383722	374.1996	1663	0	1998	0	0	0	0	3253	0	0	0	1529	0	0	0	10588	1709	0	0	0	0	4515	4394	17272	2027	0	1127	0	0	1461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2535	0	0	0	2258	2632	2791	0	0	0	0	0	6679	1645	1069	6318	0	0	0	0	0	2497	2302	0	0	0	2595	0	0	0	0	0	0	3059	3776	4085	0	0	0	0	0	4594	0	0	38934	5072	2192	22878	0	1849	0	0	0	0	0	0	0	1599	0	0	4413	0	0	2709	0	Organosulfur	0.2777778	1.7222222	0.055555556
0	C15 H27 O6 N5	374.2034	374.20395	-0.37421298	374.20328	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22843	0	0	0	0	1492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2634	0	0	0	0	0	0	0	0	0	0	0	0	3204	0	1591	0	0	0	0	0	0	0	0	0	0	0	21086	0	0	0	0	0	0	0	0	0	0	9985	7867	0	2117	0	0	0	0	1222	0	0	0	0	0	0	1160	0	0	0	0	Peptide	0.4	1.8	0.33333334
22	C18 H31 O7 N1	374.21732	374.21768	-0.19820698	374.21725	35023	33064	26882	34679	31289	35741	42864	35252	40009	34606	16640	15382	46307	29994	34061	34261	17806	59760	52541	38921	25856	23183	32378	26846	30953	15337	23471	24805	50998	30494	31530	37789	54567	36330	35075	40464	54862	28332	17937	24211	7662	23952	3212	0	672	19807	11636	0	36484	32923	32262	35560	33853	1221	81896	30155	19386	37896	28609	13164	38315	14561	44278	40879	18812	44881	37993	16149	4773	25442	7827	28008	25546	35881	20509	30124	734	27700	21699	17538	18331	13535	33369	21855	28652	27198	29573	21785	26548	12581	67487	77544	34459	16996	24374	0	35783	36973	24008	25233	30528	50166	22171	30369	23103	30450	30815	0	15560	57173	Lipid	0.3888889	1.7222222	0.055555556
12	C18 H31 O7 N1	374.21732	374.21777	-0.23417816	374.21725	8533	8887	9008	5358	8406	8476	17995	23774	8712	3182	4663	11074	9860	7047	14705	9360	31772	11684	19309	10428	13390	9464	18369	7898	15742	7075	5638	0	27863	7401	14834	11344	27553	14656	9190	16576	11726	10419	27960	2179	0	9429	4895	0	0	9682	5130	0	13510	7915	7566	4957	12243	0	17252	12891	9166	10949	7025	12714	0	2019	13930	10777	8654	11983	12668	22026	0	4972	3455	8273	13005	16461	12840	12047	0	12570	19148	0	16218	8894	17263	13501	14014	15064	24301	4839	13102	16578	11381	18047	23492	4958	2504	0	7863	12758	7256	16640	18153	13661	11171	9931	0	12876	13036	0	14847	9940	Lipid	0.3888889	1.7222222	0.055555556
12	C22 H28 O1 N3 Na1	374.22028	374.22073	0.2969997	374.2204	1375	0	2445	1935	2103	0	0	5393	0	3210	0	0	1465	4374	0	0	0	2564	0	1758	3588	0	0	0	0	0	0	0	4010	0	2321	7312	3890	1765	16058	2164	2356	0	0	3132	0	0	0	0	0	2522	0	0	8643	4721	1724	1877	0	691	0	0	0	3749	0	0	0	0	0	24141	0	0	0	0	0	4688	0	3862	13823	15022	0	1703	0	0	0	0	0	0	0	0	0	0	0	2442	1672	0	3563	0	0	0	0	0	0	0	0	0	0	0	0	24638	0	0	0	0	0	0	Unclassified	0.045454547	1.2727273	0.13636364
8	C17 H31 O6 N3	374.22858	374.22906	-0.044769827	374.22855	99548	94579	76160	91645	1937	27784	1084	4337	824	14982	48801	1274	3582	956	1198	9551	1870	3400	1123	0	0	9867	1461	6825	2412	0	2317	718637	4326	1957	3851	4146	8755	4165	2570	3491	8025	1604	3579	0	0	11951	0	0	0	0	0	0	5318	2524	89983	94123	1587	304	1071	0	1032	8833	0	0	5698	0	2388	0	1855	2086	1664	2959	0	0	0	4990	3322	1372	1676	2615	0	1410	3148	2046457	3791	0	0	0	1468	0	2124	3105	4241	22545	6439030	4876697	10715	233660	35613	0	101277	78256	3153	935	2843	5986	2666	1642	0	8062	0	0	4555	1507	Peptide	0.3529412	1.8235294	0.1764706
12	C17 H31 O6 N3	374.22858	374.22906	-0.0638848	374.22855	21760	20279	20582	19667	984	5825	0	0	0	3161	15258	0	1514	883	976	0	0	0	0	0	0	0	1137	0	0	0	0	155997	0	0	1753	0	0	0	0	0	0	0	0	0	0	1636	601	0	0	10012	18863	0	0	0	15833	20203	0	0	0	0	0	4132	31011	0	0	0	2070	0	0	0	0	0	0	0	0	0	1322	1408	0	0	0	0	0	233221	0	0	0	0	0	0	0	0	0	19382	1814679	1348281	2797	41942	7312	0	17966	13432	1615	0	0	0	0	0	619506	2254	0	0	0	0	Peptide	0.3529412	1.8235294	0.1764706
16	C17 H31 O6 N3	374.22858	374.22836	-0.364549	374.22842	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9121	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1436	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6037	0	0	0	0	0	0	0	0	0	0	94953	67001	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.8235294	0.1764706
14	C17 H31 O6 N3	374.22858	374.22882	0.05414127	374.22858	2328	1665	1932	3212	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17174	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1795	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18413	0	0	0	0	0	0	0	0	1337	0	389406	151769	0	3775	0	0	4608	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.8235294	0.1764706
4	C17 H31 O6 N3	374.22858	374.22913	-0.18414922	374.2285	29281	28808	28722	31044	2011	42869	617	4644	5189	3239	16569	654	4551	1552	1778	10218	1050	3823	4592	0	0	4956	1702	3979	2558	0	2063	218065	4853	2595	3322	2687	8987	2896	1250	2876	5673	1854	1990	0	0	5224	0	0	0	2145	0	0	3351	1525	30701	27060	2245	0	3996	1009	2359	6431	0	0	2520	0	2304	2619	1530	5866	1623	0	0	0	0	3573	3437	2163	1345	2937	0	1425	1015	1456795	574	0	250	0	2258	1800	2885	1976	1841	3715	2302290	998982	4773	108691	12869	0	27158	30033	3061	1121	2250	3397	1283	1330	0	4344	1359	0	2365	3527	Peptide	0.3529412	1.8235294	0.1764706
6	C17 H31 O6 N3	374.22858	374.22903	-0.13239446	374.22852	78787	81779	78488	79271	1746	49895	1566	3674	727	13261	30591	1033	4543	1961	3138	9242	846	5579	1048	0	0	7836	1216	4918	4181	0	1804	553001	3885	1962	4709	3922	12279	3630	1169	3471	7489	981	0	0	0	5862	0	0	0	0	0	0	4630	1710	83383	69373	2164	0	1128	569	920	9056	0	0	4235	0	4239	946	1750	4662	2287	0	0	0	0	2247	3494	2154	0	2003	0	2473	0	684311	439	606	0	0	0	2182	1840	3041	3381	6215	6741157	4653633	8732	131646	39052	0	81599	65060	1913	843	0	2821	3179	1726	0	4679	0	0	1702	2918	Peptide	0.3529412	1.8235294	0.1764706
2	C17 H31 O6 N3	374.22858	374.22916	-0.18343821	374.2285	6974	6215	5732	5527	24009	60320	2306	6424	16492	897	0	2073	8697	4760	5152	5907	1766	9618	27240	0	429	3716	3608	7475	6491	0	3405	6002	8997	3944	4536	5623	6437	5723	1253	6687	6031	2888	3089	301	0	5531	0	0	0	1304	0	0	5658	3334	5552	6956	17076	0	14304	1551	13956	10353	327	0	6730	0	2668	9787	17902	18604	23380	2800	0	822	0	3631	8344	4890	948	5622	0	2851	4639	11119	1999	0	0	0	7783	20657	14365	5806	12019	6155	11324	8061	15912	1282	752	0	7236	7561	22126	1243	6411	5944	2835	809	0	6818	5238	0	3572	12424	Peptide	0.3529412	1.8235294	0.1764706
16	C22 H31 O4 N1	374.23257	374.23297	-0.17250596	374.2325	5004	10305	7458	10746	1350	6285	7941	12511	1216	6774	10415	6151	0	2068	5468	16256	10833	3907	5654	15844	17020	8136	4530	11673	6703	16848	7584	11799	11520	12632	12411	11298	10515	12022	10855	14119	13436	5059	16026	8956	13276	6817	0	0	0	4680	10519	0	20473	16240	9208	8400	4512	0	0	0	1838	12044	0	6717	14629	3454	2877	1520	2044	3588	6994	21582	12774	20346	19129	10093	11217	11928	12067	14631	0	5845	6162	7706	5663	1601	1351	6383	0	2841	11354	7709	5974	37160	16750	0	0	5226	10346	0	8641	8215	0	2773	3310	14847	5131	5934	0	0	1338	0	7084	0	Lipid	0.18181819	1.4090909	0.045454547
8	C22 H31 O4 N1	374.23257	374.23306	-0.244439	374.23248	49013	49522	41206	49225	1670	11776	26265	117019	0	52620	27498	47838	0	1646	49791	80168	51527	6892	13543	76055	52917	23496	47448	85207	67714	13995	35081	14188	117800	98010	104781	121374	115873	97946	48473	110234	153722	38503	51976	42215	6863	20094	0	0	0	25764	19941	0	123699	94413	49675	42367	12101	0	1687	941	7541	73857	0	0	76999	11281	0	3707	9564	4857	21793	69984	9393	21295	16968	124813	105688	114980	61798	99669	0	65210	26909	17055	29860	875	679	29066	971	6802	24475	16718	27549	59509	25139	0	80572	28074	66031	0	46592	47098	1420	1012	0	98278	45373	66872	0	78682	0	0	29119	1078	Lipid	0.18181819	1.4090909	0.045454547
14	C22 H31 O4 N1	374.23257	374.233	-0.17879458	374.2325	8879	6010	7541	5589	4015	5183	12758	12355	1112	22549	14653	6922	0	2111	7704	11212	6448	1972	4437	30081	33346	0	3369	12228	7521	25974	23156	15703	10586	11050	11321	16286	16232	10857	21968	13646	16643	6390	9908	12171	4371	5545	0	0	0	7702	7051	0	17512	9498	11919	8492	2160	0	0	0	1464	15900	0	0	0	2485	1817	0	1619	0	7006	15846	0	34895	22583	8358	12383	12561	11474	11723	0	8323	3824	0	4319	0	0	11007	0	0	6625	2901	3425	17936	22605	0	24233	2656	13013	0	7535	11075	1991	1448	1523	11347	5025	3341	0	14409	1690	0	7907	0	Lipid	0.18181819	1.4090909	0.045454547
22	C22 H31 O4 N1	374.23257	374.23294	-0.18323906	374.2325	52789	49800	47185	45093	23391	19942	39287	41614	13239	42112	51773	48360	11510	22307	39993	88926	89549	19715	25975	47291	54074	80476	34724	65255	49129	94822	28843	47831	41824	48683	31894	45674	46001	49656	41563	40932	45431	43054	94947	52213	72137	25355	0	0	0	33408	40882	0	41446	42763	46276	49744	28049	760	12157	15384	19426	93319	22926	42100	64497	29840	13708	12077	17292	21790	24261	108975	61674	65654	96314	32869	30057	34366	64834	41943	0	31532	53596	59892	38886	23407	35011	38812	20558	15889	64033	33223	25197	272093	68419	58357	169334	47515	48254	0	38837	50312	18671	21603	23046	70447	38857	48387	20389	82697	17468	0	67702	13275	Lipid	0.18181819	1.4090909	0.045454547
10	C22 H31 O4 N1	374.23257	374.2331	-0.1545807	374.2325	141247	136475	130461	127046	3968	18839	55931	128280	1682	71947	72851	74962	3375	5934	95771	109271	44216	6968	17518	93109	62871	28683	65277	100377	80316	24465	68928	229566	133831	119496	123108	143950	161184	127525	55734	131150	135191	81050	47596	76510	7340	29368	0	0	0	35877	22354	0	138293	126284	133423	131730	12427	0	3100	1261	10962	98838	0	0	99924	23923	1081	3501	12951	9538	24678	66460	16574	26189	26120	131405	118610	130425	78787	124428	0	74634	35672	225366	39488	1242	3573	35569	1981	8740	25504	30064	30915	59450	7359291	4030866	99891	109857	81862	0	139027	128244	0	1174	2368	142074	79893	86935	0	85582	1324	0	41087	0	Lipid	0.18181819	1.4090909	0.045454547
24	C22 H31 O4 N1	374.23257	374.23294	-0.17528136	374.2325	38549	39275	41102	42091	37232	64828	29066	35960	22155	41267	52166	29134	26470	20222	25759	62312	63284	21174	42959	57981	69592	38093	26285	51595	36575	95274	24444	50189	36075	37883	33046	37939	43246	43993	42095	44325	38807	25591	68619	49269	63294	45669	0	0	0	32746	42911	0	43388	39277	42845	41780	29488	0	29795	18243	19149	51316	24911	35355	59843	31992	18143	19629	16363	33697	38252	80090	69629	64619	91775	39513	41458	34150	45547	37136	0	22893	42855	47877	27652	24380	28432	41425	25302	18763	57896	31274	25426	152893	52399	63410	79484	47420	53689	0	39431	47910	21771	25437	27201	57963	21484	47208	22410	52957	27180	0	48007	24039	Lipid	0.18181819	1.4090909	0.045454547
26	C22 H31 O4 N1	374.23257	374.233	-0.13094431	374.23254	20752	20180	23131	22016	27401	9557	13513	20341	15054	13070	28296	20479	15361	8971	14133	30987	42428	10882	18704	22996	23399	43641	14629	21987	21568	45337	12284	30111	19030	25532	22291	18820	26436	20680	19498	34295	22102	18035	35428	26935	34570	16670	0	0	0	14012	17674	0	22571	19783	21743	23606	25867	0	14732	14246	10730	30878	12778	18413	33880	15558	11632	14846	10746	18459	23016	55478	49788	30813	43083	20747	21469	20022	17875	20574	0	21158	25354	54309	13169	13944	18913	25117	16937	9580	56452	17289	13918	59086	31571	31172	30481	54122	49912	0	19477	26096	14623	20870	23174	35528	12885	21018	10711	27364	18325	0	25594	11086	Lipid	0.18181819	1.4090909	0.045454547
18	C22 H31 O4 N1	374.23257	374.23297	-0.21623966	374.2325	10820	12065	9624	9887	4261	4550	8031	9592	4526	12813	12262	6558	1548	3792	5997	18350	24129	2917	5519	14185	16652	6044	7814	12191	8603	22932	10569	16865	7870	11007	9148	9387	9077	13576	6813	9754	14829	7947	18216	12655	18304	5999	0	0	0	6278	9638	0	15238	12116	13039	5666	4722	0	2409	3038	2884	12216	1666	8474	12404	3831	0	1477	3231	5357	3363	21639	21369	22612	23636	6072	9118	9758	20826	11874	0	3827	5698	9793	5235	3929	3875	7978	5628	2872	16645	5759	3982	36756	15229	7344	29059	8011	9799	0	9404	6833	3388	8430	4141	15299	6416	7816	4458	14041	3067	0	6680	2467	Lipid	0.18181819	1.4090909	0.045454547
20	C22 H31 O4 N1	374.23257	374.23297	-0.17950234	374.2325	26069	21544	21289	17655	11903	8893	14499	16597	5135	17976	16677	12365	4612	11104	7778	45251	34056	5845	12377	31213	35440	21459	10503	27598	15236	45766	17370	48865	16099	21224	15680	22155	18159	18046	23402	16389	18073	12665	32381	23072	34150	9597	1241	0	0	11022	20966	0	19784	19583	15796	21665	12589	415	4583	7681	6931	38416	5720	21265	33324	9887	3984	2814	7504	10503	12609	34949	33910	40658	61514	16591	18102	13817	30547	15478	0	13095	19301	28981	12031	8045	12304	15495	9930	12111	29910	13959	11929	107281	46684	28875	52406	20232	22706	0	22574	25749	6805	12083	11482	23461	11828	20611	10794	29256	8498	0	18900	3728	Lipid	0.18181819	1.4090909	0.045454547
12	C22 H31 O4 N1	374.23257	374.23303	-0.19292702	374.2325	18841	20149	25235	21478	5569	6725	14920	42155	2053	25064	21201	27594	0	2756	20069	44149	17801	2477	7963	35603	38979	7070	18660	46054	20569	24260	17500	15283	41877	34161	37489	36968	41819	33411	44319	40992	42141	22263	17261	24434	0	8116	0	0	0	16712	12053	0	42151	37171	26563	23838	6668	0	1925	0	6951	37366	0	0	33541	5523	1482	2426	4253	2930	11753	33611	16039	34655	29385	37368	33253	35617	34244	33390	0	29555	11969	0	13575	0	0	16237	1679	2899	19491	10681	13029	68865	23425	2508	44684	8511	27662	0	20169	19899	3799	1204	1211	40319	24188	12061	0	41061	8934	0	15648	1445	Lipid	0.18181819	1.4090909	0.045454547
28	C19 H35 O4 N1 S1	374.23596	374.23578	-0.18157598	374.2359	0	0	1366	0	0	0	0	0	867	0	0	0	0	0	0	6655	0	0	0	0	0	0	0	0	0	0	2874	0	0	0	0	1431	0	0	0	0	787	0	1830	0	0	0	0	0	0	0	0	0	1270	0	889	979	0	0	0	0	0	106070	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2048	0	0	883	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5880	0	0	0	0	Organosulfur	0.21052632	1.8421053	0.05263158
20	C19 H35 O6 N1	374.25372	374.25403	-0.12659958	374.25366	2985	0	3459	4678	1925	2040	48557	3296	1660	0	0	1245	2570	9499	0	0	2833	2333	3763	0	0	0	0	0	2241	5441	32677	4027	3194	1772	0	2385	2914	1895	1770	3499	2077	1351	5025	0	0	7062	2460	0	0	0	0	528	4929	1754	2526	3459	1345	1023	0	0	1702	3833	0	2298	4810	0	2729	1761	7295	4137	5230	1928	0	0	0	2112	3199	2658	5319	2550	0	1102	2994	9568	0	1975	58771	37570	0	2800	3466	2173	1766	4926	15661	7962	0	1247	3903	517	5010	4934	2614	0	3078	1948	0	1420	1880	8197	2487	0	2010	2090	Lipid	0.31578946	1.8421053	0.05263158
26	C19 H35 O6 N1	374.25372	374.25385	-0.18759447	374.25363	3671	3802	5524	5255	53775	4389	8361	0	3930	0	4882	0	6372	40119	0	0	0	0	10777	0	0	0	0	0	5418	0	8322	24309	5373	0	2707	4103	5655	2387	1668	0	3293	0	2394	2063	0	7092	0	0	0	0	0	0	5982	0	4993	4313	42526	0	0	9236	7411	3646	9884	0	4910	2510	2444	0	8199	9739	16408	2518	0	0	0	0	0	0	0	3755	0	0	0	15173	0	5483	3041	2621	0	0	1544	2756	3240	1626	15650	16613	0	0	0	0	4644	0	8892	2057	6000	0	0	0	28101	0	45865	0	0	2261	Lipid	0.31578946	1.8421053	0.05263158
18	C19 H35 O6 N1	374.25372	374.25403	-0.083482295	374.2537	0	0	1512	0	0	0	19676	0	1047	0	0	0	1701	2644	0	0	1474	0	0	0	0	1963	0	1790	2241	0	12971	2039	0	2262	0	0	0	0	0	2378	0	0	3209	0	0	0	468	0	0	0	0	0	1731	2744	0	2299	0	0	0	0	0	1790	0	0	0	0	0	0	1283	1703	0	0	0	0	0	0	1417	2249	2250	0	0	0	0	1574	0	0	30971	14267	0	0	1932	0	1381	0	3634	2634	0	0	0	0	0	2125	0	0	2120	2439	1342	0	0	8131	1180	0	0	0	Lipid	0.31578946	1.8421053	0.05263158
22	C19 H35 O6 N1	374.25372	374.2541	-0.16921484	374.25366	10781	10707	11331	15529	5410	13364	87751	8054	1892	3539	3855	4914	3435	13047	8974	12067	8303	5698	4546	0	0	1552	11131	8750	103672	5117	56800	13545	10564	11395	7692	9153	9800	10954	3882	10749	9271	6548	8338	2117	1821	13436	6000	0	298	3937	3675	0	17632	13116	8672	9944	5342	3403	2992	1660	4351	12136	2316	4895	12810	1232	7037	1465	14686	22843	13277	9057	0	0	1835	7473	7665	8813	5307	12959	494	4745	13231	26761	2018	9307	55739	37969	2829	9822	23681	4667	6252	39149	61124	45073	11789	3969	6035	0	10517	13395	5888	1761	5580	7344	4958	2460	13710	5984	3021	0	171713	13124	Lipid	0.31578946	1.8421053	0.05263158
24	C19 H35 O6 N1	374.25372	374.25403	-0.21234229	374.25363	15309	15962	13895	16828	9283	10769	69135	9026	4445	4462	6659	2803	8600	14816	11446	35701	4756	6156	8343	2402	1341	6139	11569	30543	66772	2673	39238	31927	8326	8060	7511	8766	10170	9681	4306	10930	10756	10156	4516	2967	1906	6584	3967	0	0	7141	5141	0	13755	10464	11072	10125	7418	0	5671	3672	4448	33617	6834	4373	28573	3896	8364	5202	15865	25936	21353	4837	0	4208	1875	5462	6827	11328	4521	14993	0	4491	23379	30694	4766	13859	33831	20456	2925	9166	49625	4229	6825	60950	82825	88074	17884	11375	11006	0	11566	12165	9797	1903	6793	8604	5620	5591	28795	8001	3934	0	109605	11405	Lipid	0.31578946	1.8421053	0.05263158
26	C23 H35 O3 N1	374.26898	374.26926	-0.14669101	374.26892	2491	0	0	1942	0	0	1842	0	0	0	2398	0	0	0	0	0	0	0	0	0	0	1589	0	0	0	7491	1574	2430	0	0	0	0	2376	0	0	0	0	0	2896	0	2482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1778	0	0	0	0	0	0	0	1338	2473	3464	0	3091	4057	0	0	0	0	0	0	0	3370	0	0	0	0	0	0	0	9935	0	0	25629	2976	4718	5503	1983	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13043478	1.5217391	0.04347826
10	C23 H35 O3 N1	374.26898	374.26935	-0.19087182	374.2689	2901	5184	3602	2409	0	0	3407	10381	0	1996	1195	4972	0	0	2758	11146	3194	0	0	2187	2306	0	3916	10516	6788	0	8002	0	6526	10283	10687	7822	16611	6116	2477	7993	21313	4899	1895	1896	0	2289	0	0	0	0	0	0	10378	9345	5491	2927	0	0	0	0	803	8948	0	0	9598	0	0	0	0	0	0	17741	0	0	0	11851	6724	6963	10990	6086	0	4686	1865	0	3809	0	0	1788	0	0	1838	2671	4945	21318	0	0	17845	0	2776	0	4769	4506	0	0	0	16637	4858	0	0	12867	0	0	4843	0	Lipid	0.13043478	1.5217391	0.04347826
18	C23 H35 O3 N1	374.26898	374.26926	-0.1299075	374.26892	0	0	0	0	0	0	1348	0	0	0	0	867	0	0	0	0	0	0	0	0	0	0	0	1928	0	0	1750	0	0	0	0	0	5298	0	0	0	4032	0	0	0	0	0	0	0	0	0	0	0	1770	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	104570	0	0	0	0	0	1349	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5137	0	0	0	0	0	0	0	0	0	0	0	4241	0	0	0	0	0	0	0	0	Lipid	0.13043478	1.5217391	0.04347826
24	C23 H35 O3 N1	374.26898	374.2693	-0.21875457	374.2689	1809	3635	1179	0	0	0	1949	3202	0	0	1232	1151	0	0	1248	5364	7647	0	0	0	1962	0	0	0	2387	5334	1885	1715	1394	3516	2089	1347	1629	0	0	3110	1759	1640	7103	0	2432	0	0	0	0	0	2913	0	1827	1744	2523	2049	0	0	0	0	0	3435	949	1425	2804	0	0	0	0	0	0	8643	1611	1698	2445	909	1235	4404	2356	3593	0	1254	2314	1891	0	0	1048	0	0	0	7259	1492	993	27064	2999	2116	2828	1476	0	0	2025	1400	0	0	0	2087	0	1869	0	3760	0	0	5269	0	Lipid	0.13043478	1.5217391	0.04347826
22	C23 H35 O3 N1	374.26898	374.26932	-0.19161718	374.2689	1411	1842	1417	0	0	0	1404	1220	0	0	0	1314	0	0	0	3279	2741	0	0	0	0	3435	0	5621	3483	0	1956	0	0	1354	0	0	1950	1206	0	0	0	0	3296	0	2728	0	0	0	0	0	0	0	0	1500	1558	0	0	0	0	0	0	2080	0	2661	3397	0	0	0	0	0	0	3698	0	0	0	0	0	0	1042	0	0	0	2934	1508	2067	0	0	0	0	0	4414	0	0	36085	4625	2773	12607	0	0	0	1550	1271	0	0	0	0	0	0	0	6468	0	0	4471	0	Lipid	0.13043478	1.5217391	0.04347826
14	C23 H35 O3 N1	374.26898	374.26938	-0.120193206	374.26892	4743	6371	5187	5849	0	0	2772	17868	0	2222	3472	7414	0	0	4585	15141	3264	0	0	5776	3656	0	4200	13879	6993	2246	9934	0	10426	15317	15329	15018	14894	13662	2158	17592	8451	5630	1488	3990	0	1314	0	0	0	3307	8116	0	11923	13900	5302	5903	0	0	0	0	0	13596	0	0	0	0	0	0	773	0	2295	11165	0	2325	1468	16784	16143	20147	10749	14366	0	6697	2552	0	4713	0	0	5139	0	0	2911	1392	2162	32038	8341	0	15140	2960	6419	0	3394	4045	0	0	0	12722	6611	3971	0	13350	0	0	2640	0	Lipid	0.13043478	1.5217391	0.04347826
12	C23 H35 O3 N1	374.26898	374.26938	-0.093300104	374.26892	2339	4493	4543	4353	0	0	3082	15547	0	1796	0	5046	0	0	4327	19365	4403	0	0	3976	3623	0	4907	13433	6400	1335	5392	0	11742	13855	10818	12556	9490	8398	1403	14951	8486	5544	2787	2579	0	2511	0	0	0	0	0	0	14610	17044	4637	3393	943	0	0	0	0	12833	0	0	0	0	0	0	0	0	1523	12282	0	2350	0	11136	10593	14627	14402	9609	0	7084	4954	0	5020	0	0	2223	0	0	3047	1786	4278	39232	5460	0	20267	0	5084	0	6127	4578	0	0	0	9239	6616	0	0	21594	0	0	3576	0	Lipid	0.13043478	1.5217391	0.04347826
26	C20 H39 O5 N1	374.2901	374.29022	-0.076745056	374.29007	0	0	0	0	0	0	48329	0	0	0	2399	0	0	21605	0	0	0	0	0	0	0	0	0	0	0	0	23964	12419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3620	0	11237	1795	0	0	0	0	0	0	0	0	0	0	0	0	0	7401	0	0	5345	3318	0	0	0	0	0	0	3137	5226	0	0	0	0	0	0	0	0	0	0	0	0	7878	0	0	0	0	0	Lipid	0.25	1.95	0.05
24	C20 H39 O5 N1	374.2901	374.29004	-0.20416473	374.29	0	0	0	0	0	1137	30904	0	0	0	0	0	0	5734	0	0	0	0	0	0	0	0	0	0	0	0	21052	3777	0	0	0	0	0	0	0	0	0	0	0	0	0	1690	0	0	0	0	0	0	1456	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1829	0	1479	0	0	0	0	0	0	0	0	1027	0	0	0	1885	0	0	4211	3626	0	0	0	0	0	0	5980	4734	0	0	0	0	0	0	0	0	0	0	0	0	5548	0	0	0	0	1344	Lipid	0.25	1.95	0.05
12	C24 H39 O2 N1	374.30536	374.3058	-0.037910108	374.30533	1666	1956	1609	0	0	0	0	1393	0	0	0	1032	0	0	1160	4815	0	0	0	0	0	0	3255	20463	14451	0	0	0	0	0	0	3784	19007	6206	0	2791	13995	1103	0	0	0	0	0	0	0	0	0	0	1779	0	0	0	0	0	0	0	0	6535	0	0	0	0	0	0	0	0	1478	0	0	0	0	0	0	0	0	0	0	0	0	0	1759	0	0	0	0	0	0	3209	1272	5922	0	0	15886	0	0	0	0	0	0	0	0	18924	0	0	0	17928	0	0	0	0	Lipid	0.083333336	1.625	0.041666668
22	C17 H10 O10	375.03467	375.03506	-0.1330357	375.03464	2369	2857	1768	3032	6297	7016	0	0	11500	0	0	2326	17013	5835	3470	2468	1385	11368	8414	0	0	3307	3429	0	1852	0	2038	1336	0	0	1067	0	1528	0	0	0	0	3072	0	0	0	2059	0	0	570	0	0	0	0	0	2322	2633	6406	235	13502	8579	3159	2152	0	0	0	0	20673	14363	4141	12589	3838	0	0	0	0	0	0	0	0	0	495	0	9708	2259	7985	0	0	0	19953	7367	4309	3952	3381	1858	0	0	1658	2858	1951	0	2774	2382	4342	18499	14734	1514	1355	0	0	1762	9748	0	2029	27174	Phytochemical	0.5882353	0.5882353	0.0
26	C17 H10 O10	375.03467	375.0349	-0.16163471	375.0346	3912	4226	4177	3408	12733	6615	0	0	13937	0	0	0	21506	8253	0	0	0	22073	16921	0	0	0	0	0	0	0	0	0	0	0	0	0	2679	0	0	0	1881	2827	2486	0	0	0	0	0	0	0	0	0	0	0	3766	4581	9351	0	12439	7300	3984	1883	0	0	0	0	31081	12281	2407	17312	2544	0	0	0	0	0	0	0	0	0	0	0	14609	0	13152	0	0	0	19505	8221	6390	3274	5327	4095	0	0	0	0	0	0	5666	0	6605	13736	12488	0	0	0	0	1257	8008	0	2408	25241	Phytochemical	0.5882353	0.5882353	0.0
18	C17 H10 O10	375.03467	375.0351	-0.030225253	375.03467	2769	4410	3762	3302	14087	8036	0	0	14500	0	0	1519	22753	9224	1666	0	0	15112	12666	0	0	5847	4122	1471	0	0	1715	0	0	0	0	0	0	0	0	0	3658	1438	0	0	0	3074	531	0	0	0	0	961	1938	0	3904	3875	8297	0	17428	12477	6801	0	0	0	0	0	30152	12066	6062	22627	4159	1607	0	0	0	0	0	0	0	0	0	1888	10097	2118	5897	0	0	0	21571	8281	5285	7456	4301	1661	0	0	0	4262	2469	0	1587	2366	11619	24272	20041	2555	2197	0	0	1940	10131	0	2152	24905	Phytochemical	0.5882353	0.5882353	0.0
28	C17 H10 O10	375.03467	375.03497	-0.15094094	375.0346	6934	5597	5684	6565	17614	8371	2333	0	13481	1666	0	3126	27702	14057	5082	4100	0	27690	24414	0	0	1787	6252	4691	2059	0	4562	0	0	0	2955	0	2617	0	890	0	2287	5786	2389	0	2239	2705	1846	0	0	0	0	1591	1938	0	7736	6768	12023	0	16405	10907	3769	3525	0	1177	2475	0	33342	14358	5805	20445	5605	2028	0	0	0	0	0	0	0	0	0	2693	16789	0	15192	0	0	0	26716	10905	11261	5667	6915	3609	0	1308	5520	1819	0	0	6238	4730	11055	13847	19030	3621	2040	0	0	2934	13963	0	3994	28561	Phytochemical	0.5882353	0.5882353	0.0
14	C17 H10 O10	375.03467	375.0352	-0.11293365	375.03464	2203	2316	0	2262	12756	4262	0	0	13187	0	0	1308	18708	5707	0	0	0	9199	11119	0	0	6824	3055	0	0	0	0	0	0	0	0	0	2469	0	0	0	0	0	0	0	0	3259	0	0	0	0	0	411	0	0	4309	2677	7668	0	9892	11991	3118	0	0	0	0	0	25733	14189	5082	14895	3485	1291	0	0	0	0	0	0	0	0	0	0	4199	0	1811	0	0	0	16449	4147	1219	7737	5245	0	0	0	0	5800	2101	0	2454	0	8971	23163	13956	0	0	0	0	1408	8510	0	0	17077	Phytochemical	0.5882353	0.5882353	0.0
20	C17 H10 O10	375.03467	375.0351	-0.07936094	375.03464	2945	2135	2340	3444	16771	9871	1342	0	11033	0	0	3026	24754	7933	0	2518	0	12189	9666	0	0	4349	5422	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3201	0	0	0	4265	768	0	414	0	3479	1973	0	0	3817	3551	8776	0	10003	14193	8199	0	0	0	1622	0	28740	12209	5386	17476	3489	0	0	0	0	0	0	0	0	0	642	2100	8340	2117	5947	0	0	0	22337	6012	8680	7717	3141	3478	0	2065	0	4113	0	0	3601	2569	7366	20550	20162	0	0	0	0	2389	11350	790	0	22560	Phytochemical	0.5882353	0.5882353	0.0
24	C17 H10 O10	375.03467	375.03497	-0.14877829	375.0346	2856	4766	3740	3654	10425	4225	0	0	9843	0	0	2152	21520	6555	4908	1861	0	14141	12945	0	0	1293	4082	2916	1317	0	2212	0	0	0	1669	0	1159	903	0	0	1424	1642	0	0	0	2464	0	0	0	0	0	1903	1386	0	3144	2246	7592	0	14764	10205	4455	1777	0	0	2712	0	21028	11081	1455	13562	2310	1685	0	0	0	0	0	0	0	0	0	1475	7588	0	10855	0	0	0	16243	12247	4619	3736	4107	0	0	0	0	1108	0	0	3083	3547	6578	14832	10739	1466	1294	0	0	0	7424	0	1371	24274	Phytochemical	0.5882353	0.5882353	0.0
16	C17 H10 O10	375.03467	375.0351	-0.16395389	375.0346	3944	4274	3807	2302	16110	7098	1055	0	18745	0	0	1840	23536	7429	1301	0	2384	14701	14575	0	0	4037	4420	1499	0	0	0	0	0	0	0	0	0	0	0	0	2031	1486	0	0	1440	2283	479	0	0	1174	0	638	0	0	3750	0	8396	0	11442	16603	4431	0	0	0	0	0	37703	13092	3999	23257	5668	0	0	0	0	0	0	0	0	0	0	1997	6837	0	4620	0	0	0	21708	6206	4588	5738	6934	0	0	0	0	6999	2733	0	5631	4829	14912	21944	20919	3129	1424	0	0	0	12537	0	1181	28788	Phytochemical	0.5882353	0.5882353	0.0
14	C18 H14 O9	375.07104	375.07153	-0.08045867	375.071	84486	84821	66740	77356	113418	60498	31812	24433	134666	161737	127895	28526	181639	54789	43137	32304	27455	140107	143505	100413	127806	174033	55191	31275	12722	45266	23847	51990	16867	16126	16506	17572	42745	17570	214134	16183	38971	37722	25382	70084	115589	40213	2809	328	455	59737	110273	976	23591	14746	72839	70651	72405	389	131214	109328	52754	38528	42149	29229	36529	69109	197677	124458	48548	142338	56826	27084	78836	62920	96669	19816	16825	11012	16074	17125	390	23758	76179	135718	62247	60807	18085	37102	135449	69296	74638	58726	59033	52839	37135	47638	55080	182829	161032	484	84630	72130	101210	142116	135739	35062	26572	33149	72345	37113	97657	0	23986	155377	Phytochemical	0.5	0.7777778	0.0
10	C18 H14 O9	375.07104	375.07156	-0.087548904	375.071	27319	28342	16721	25179	36269	15895	9931	7797	43646	53913	39158	13440	57054	14813	9954	9669	10916	36871	41342	29328	51611	47826	16846	12293	3605	13193	7534	20240	5210	5597	4225	6000	13825	4580	70408	4516	11656	10769	9566	24975	42860	14829	0	0	0	16679	28046	0	9189	4853	21830	24361	25827	0	42510	40345	17737	9718	5727	12630	20205	23552	66226	41677	16325	38606	16507	13984	38967	23683	46085	7629	5825	2791	10892	6098	0	7530	26737	26822	20915	17033	4591	7512	52592	17670	19708	18396	23135	18811	3566	11499	13545	61551	47294	0	19690	25618	41411	53333	47209	12123	10055	8213	22892	13026	31099	0	6965	54852	Phytochemical	0.5	0.7777778	0.0
24	C18 H14 O9	375.07104	375.0714	-0.11379643	375.071	10287	10668	9208	14499	26323	11215	2951	2110	27651	14142	3570	2917	44454	13396	6541	3345	3810	36856	28683	6470	7956	16531	11344	3477	5130	3492	2241	2185	0	0	2148	0	3933	2320	17308	0	2998	6384	1603	5610	4355	4934	0	0	0	5380	10113	0	0	1335	10304	8683	16599	0	27134	24816	8617	2849	2336	2966	4655	4313	46883	23877	5558	32471	8281	2139	5657	4365	6401	1002	0	0	0	0	0	3802	16897	12438	19163	6027	1085	2225	39700	16903	10169	6949	10263	3277	2462	2614	4528	20794	29875	0	9305	9787	14968	27198	32986	2025	2749	3071	5304	4797	20273	0	3533	47396	Phytochemical	0.5	0.7777778	0.0
28	C18 H14 O9	375.07104	375.0714	-0.12889147	375.071	9062	9231	9661	9935	16259	9510	3171	2441	14779	9259	2443	3785	31212	11140	7945	4706	2974	25373	23003	6499	9512	14221	8162	8416	4852	0	3639	1616	0	0	3580	0	4822	1427	14124	0	5439	5414	2961	4002	5185	4034	1546	0	0	4946	5594	1386	2494	0	9400	8595	11211	0	22410	13294	6013	4623	3658	1893	5258	3197	25138	14791	7387	19188	7532	2448	3925	6476	5448	1364	0	0	0	1646	0	3371	12691	9903	12074	4468	4986	2135	20803	12670	12206	6945	7082	1716	4541	5447	4510	11135	15557	0	8230	8989	9061	14436	23896	5850	2763	4426	5166	4757	12538	0	4038	26362	Phytochemical	0.5	0.7777778	0.0
26	C18 H14 O9	375.07104	375.0714	-0.081948884	375.071	7803	10102	9938	7969	21635	10112	3595	0	20322	10390	0	3651	43025	11670	0	4940	0	25676	22580	5086	10011	12383	7788	5897	0	0	0	0	0	0	2811	0	2430	0	14143	0	5011	4788	0	3383	3797	0	0	0	0	5821	8069	0	2324	0	7845	9600	11593	0	20727	17002	8747	2603	2962	0	4351	3569	34395	17094	4520	21204	6226	2853	0	4889	6172	0	0	0	0	0	0	3139	13486	6947	17077	3771	0	2657	26512	11391	5444	5071	5375	3218	2103	3445	5105	15404	25301	0	9345	8506	11195	25169	15918	0	2755	0	0	3228	12379	0	3505	39764	Phytochemical	0.5	0.7777778	0.0
18	C18 H14 O9	375.07104	375.07147	-0.09194571	375.071	60592	62158	62051	61136	111852	68807	20000	20833	106151	99433	53410	17494	186702	68278	37135	28988	17636	150043	138735	72312	73965	107737	49478	26611	20213	24761	20686	27638	11246	11331	15837	9798	39805	14009	111605	12653	41235	31588	13186	49312	51950	30981	3618	713	1441	44672	50632	1785	16986	15541	61628	61037	67502	865	138404	100125	47160	30440	23706	18305	26730	45384	171277	112413	45762	133463	56135	15489	46397	37236	53943	16010	9446	4583	8123	10440	1070	21663	72475	78041	58368	49565	12891	31306	119778	70623	56564	42654	52557	28693	32981	45875	40168	95690	113805	978	62142	52485	87069	114607	127861	28881	19813	20442	41538	18025	72851	1179	24507	167317	Phytochemical	0.5	0.7777778	0.0
16	C18 H14 O9	375.07104	375.0715	-0.07871722	375.071	80355	83535	70975	84424	133712	84556	29934	24289	148527	170887	99417	27006	234920	65386	48300	33099	23309	200186	184524	117239	112625	157221	64955	41579	25729	40056	30003	57774	20918	15360	24741	18688	51639	17948	213063	17373	54423	40505	26115	86445	88112	50042	3477	962	1028	58853	85191	2280	26294	18434	83513	82221	89203	977	145651	114900	68731	39081	35530	29495	42239	67420	230677	142813	52614	180508	76196	26831	56816	59705	89318	18567	16293	8546	17412	17605	1309	33980	93923	124173	61547	73833	26666	49394	156196	82083	76130	58640	68309	42450	48196	56736	54345	164955	179743	1050	88294	77800	109775	148922	134716	52821	27528	31114	53580	43108	110337	947	33914	224977	Phytochemical	0.5	0.7777778	0.0
22	C18 H14 O9	375.07104	375.07147	-0.042900875	375.07104	19922	14926	15502	18534	39263	22816	5926	3642	41558	22259	5991	4758	56385	22926	7474	4711	3763	54382	34562	12435	12105	27066	13672	5397	8359	7312	4799	5375	3377	1188	1690	0	8218	2213	26090	1210	6239	9955	4667	6609	12446	8514	0	0	997	10921	16977	2708	3466	0	16573	16087	28201	1355	48790	37336	17531	4210	5120	2884	6101	7847	64245	37318	14931	48134	13163	2921	8579	10610	14241	2342	962	1076	2207	1173	1324	5892	28312	20810	22566	14951	2195	6467	58501	24504	23548	9634	16474	6025	4083	7808	4179	30796	40231	0	11603	14034	26532	45434	46269	3388	4023	7815	9924	6897	36238	0	8354	67733	Phytochemical	0.5	0.7777778	0.0
20	C18 H14 O9	375.07104	375.07144	-0.108220264	375.071	30840	34459	34157	33079	77173	36589	9890	6144	57409	44027	19680	9587	113512	40497	19998	12446	4885	85391	69837	34098	30158	61586	22884	10878	10065	11085	8679	12914	8003	2724	7984	4360	19805	3816	46235	2699	19736	16594	10500	26969	25464	17479	3453	0	1030	28811	24001	2387	7303	5142	27871	32375	46476	1216	66877	62694	31914	14796	8414	7278	12964	14054	109605	68707	29077	78603	25170	8297	18780	24553	26469	4210	3322	4452	1997	2320	1195	10876	45018	51213	33543	20155	8261	13908	82412	42401	36581	21279	29009	9700	14968	21222	19035	60336	58250	1019	33753	27695	49602	75312	71481	13119	12989	9636	23272	14685	50572	1057	12129	114747	Phytochemical	0.5	0.7777778	0.0
12	C18 H14 O9	375.07104	375.07156	-0.082568265	375.071	50426	57967	51205	51563	63758	33109	18432	18513	84251	94916	84937	18296	94036	27899	19699	26251	18875	79087	83773	59196	93558	119513	32556	19450	7769	25824	19755	36166	8362	10183	14252	12569	27041	9638	148536	8193	25073	24944	20487	50178	75089	28313	1289	0	262	41966	75246	486	15719	12965	51123	58270	50791	278	82778	62786	36676	27727	23870	27684	17517	40220	136242	74512	27314	83741	34617	25533	75125	47607	93095	11069	12145	9173	15368	8685	0	15855	47021	80453	37424	41924	6338	18557	87723	35591	40801	28458	30771	42985	24114	37185	31174	122608	107492	456	53378	53375	79613	89219	82400	22839	20107	19970	31594	23428	60293	0	13964	114821	Phytochemical	0.5	0.7777778	0.0
8	C18 H14 O9	375.07104	375.07162	-0.07664951	375.07104	9218	12245	4952	8244	17007	7201	2896	1453	17542	20834	16813	4040	22252	5694	4110	4379	4576	13989	17536	9577	17335	18637	7186	3050	0	3118	2513	4451	1609	2487	2991	1525	4045	1877	28899	2457	3205	3845	4964	7246	14526	7074	539	0	0	3401	11596	0	1975	2229	9271	11023	9735	0	16313	16494	6830	2760	2093	5110	0	7817	32415	20072	7573	19735	6585	5294	10038	6771	16635	1783	1610	947	2589	1818	0	2632	11962	6848	7724	6328	1715	2795	22329	7720	7081	8068	5838	5392	0	0	3400	18323	15429	0	10215	9245	20637	24957	19507	4722	3483	2429	0	4951	19270	0	2168	25321	Phytochemical	0.5	0.7777778	0.0
20	C17 H14 O8 N2	375.0823	375.08267	-0.07050099	375.08228	7306	6510	2602	6507	9447	4432	1889	2938	5538	9082	4017	2487	5353	5839	4411	1946	4349	11066	12704	2048	5587	15176	4987	3804	2141	0	2542	1480	0	0	1363	0	4618	2921	6026	0	6741	2156	4525	8773	12276	2724	565	0	0	4603	11340	673	3304	0	3550	2347	7841	225	7022	5178	4241	2817	2228	3522	3681	5636	11611	5997	4564	10995	5270	8013	2825	2151	0	2028	1366	1617	1723	1458	0	1530	6871	13068	3632	5334	1423	0	10137	2903	4945	4073	3978	10035	4230	2684	5010	21412	17656	0	3970	3400	2897	9817	5167	4458	2310	2502	5321	6656	3623	0	4462	18198	Phytochemical	0.47058824	0.8235294	0.11764706
18	C17 H14 O8 N2	375.0823	375.08273	-0.04028169	375.08228	14238	10888	10277	9864	12538	9158	7315	6033	13378	19858	14809	4394	18169	5534	4522	5810	9265	11901	24548	4997	13980	35682	6183	5474	2856	11335	7703	8490	6308	3451	5275	3415	10700	5054	21054	2606	7864	6417	10218	20278	34005	7350	602	0	0	11527	22360	370	6393	4010	9916	10168	11696	347	17090	8924	5186	12778	3112	4438	9366	15630	20132	14224	7087	15683	8765	12866	14716	13443	17851	4704	2548	1948	3308	0	0	5639	13833	33552	7999	13438	5009	9403	17892	5512	10971	13682	9425	16053	4727	13715	14143	34319	29105	0	10136	9951	6793	11454	11425	6859	4575	4050	8016	6436	7650	0	6651	22295	Phytochemical	0.47058824	0.8235294	0.11764706
12	C17 H14 O8 N2	375.0823	375.08282	-0.06621961	375.08228	23340	16074	22033	22846	36678	16665	13420	10278	28881	47918	33149	12338	39073	8759	15772	18967	22306	38469	34000	19682	37916	53075	14619	9867	3178	9010	7535	0	10775	3481	3443	7068	23322	4178	63360	4561	16087	13487	20595	41543	77289	16646	0	0	0	17172	38836	0	12888	9166	28384	23967	23334	0	40353	24447	16833	15341	5729	11101	0	39450	61957	38484	11242	33380	18397	27810	38959	22244	47774	9476	10368	1210	8552	5788	0	11862	23345	28517	16285	20205	12369	14908	32896	15291	16321	16732	18730	29193	5707	25209	42803	50876	37151	0	20097	21336	16682	25343	29362	8175	12303	7304	0	15962	25031	0	14745	60806	Phytochemical	0.47058824	0.8235294	0.11764706
10	C17 H14 O8 N2	375.0823	375.0828	-0.09559196	375.08224	15379	14652	15201	14350	17716	9829	3228	4158	25544	33573	24292	7778	34936	5779	3469	7078	5754	20082	23210	18430	36514	44334	9285	8490	2315	6062	4786	7188	2037	2503	3692	5051	12167	2887	47718	3147	7250	5071	9944	26237	49283	7520	0	0	0	12781	26600	0	5183	3003	14325	15846	10813	0	23226	23025	9031	8356	5651	8750	0	21411	81698	27058	7548	24838	9997	9655	19251	14618	35233	2102	3241	1402	5428	3038	0	4415	11046	24585	8306	12072	2888	7441	20577	8801	11704	12843	9161	19763	7749	10266	16723	43532	31288	0	12939	13630	15443	49086	21417	8325	4846	9264	14281	9722	17411	0	4340	37121	Phytochemical	0.47058824	0.8235294	0.11764706
14	C17 H14 O8 N2	375.0823	375.0828	-0.055244666	375.08228	19744	19521	16836	19771	23404	13594	8115	4626	26801	38195	22185	9258	41331	8152	7819	13368	18793	32343	32544	21415	36827	68517	13856	18545	6075	8986	6997	13400	6395	6255	6144	0	14884	2947	47739	3916	12465	10158	16462	31270	62837	12061	0	0	0	22126	41191	0	6028	3510	20316	20762	18892	0	30705	20202	12185	15906	7730	8609	0	35232	45616	32833	11198	28978	15301	18664	18657	21155	35539	5950	2150	1410	6026	3695	0	7420	20244	38927	17246	21052	5672	15151	28057	13305	23787	16020	15978	28105	11624	18372	26553	59787	45067	0	17855	15563	16972	31990	22416	11506	9512	10288	23281	14496	16784	0	12243	45650	Phytochemical	0.47058824	0.8235294	0.11764706
16	C17 H14 O8 N2	375.0823	375.08273	-0.08088025	375.08228	16715	21530	15805	18365	16958	9481	7234	4145	22426	25086	14734	5799	30154	8942	7327	12106	11141	22662	24769	11203	24986	45902	12566	6094	7224	5791	6881	4732	2952	5400	4664	4754	13890	3799	42529	3397	11086	7987	15159	37150	47685	10985	497	0	0	17678	35215	0	6527	4236	18458	15880	13310	0	18395	13046	11771	9776	7091	7262	7850	26774	35877	18521	7256	19671	16057	13030	17190	12268	23541	7686	2938	1304	4636	1422	0	7782	19680	38684	13131	18122	5933	12502	24816	10133	18577	17977	9586	35783	10123	15589	0	46764	44342	0	16757	13820	12551	18043	22389	9799	7523	9533	16173	14800	15353	0	7857	47087	Phytochemical	0.47058824	0.8235294	0.11764706
8	C17 H14 O8 N2	375.0823	375.0829	-0.021777049	375.08228	9395	6851	5589	5299	12328	3096	893	2542	14849	14187	11556	3014	21692	2714	2417	2834	3371	10353	14422	11888	14212	19020	3129	2441	1188	2222	1526	3319	0	935	1168	1239	2795	0	22430	1150	4423	3238	2997	9562	21072	5043	0	0	0	5549	16786	0	2243	822	7298	9363	6096	0	16137	10305	5474	1838	2090	2773	0	11942	52724	17586	3604	13843	5215	3852	7849	6594	17056	1367	904	1273	1919	1390	0	2348	6165	4152	3864	5192	1523	3036	13514	4195	4631	6108	4065	6564	0	0	8102	17072	12489	0	5112	4690	9007	16876	14712	3990	2441	3482	0	4578	9231	0	2287	49116	Phytochemical	0.47058824	0.8235294	0.11764706
12	C15 H18 O11	375.0922	375.09274	0.01606881	375.0922	6937	9049	10343	9319	20538	14675	0	0	42260	0	10862	5165	62573	7217	6501	3924	4442	36805	30854	0	14079	0	7812	3847	2914	0	2464	0	7146	2244	4625	3419	9769	4238	14104	3518	8460	6785	5001	6389	0	15002	0	0	0	0	0	0	2415	2106	9478	10896	18823	0	68864	28328	10644	5496	0	0	0	0	66513	51144	8245	34039	17380	7814	0	0	0	0	3568	2647	3705	3574	0	4659	5709	0	5510	2413	0	0	20015	7532	4188	8698	8960	0	0	4810	7507	10921	5771	0	6358	8608	23916	24949	20628	7831	5456	0	0	5855	18850	0	2055	75277	Phytochemical	0.73333335	1.2	0.0
6	C13 H18 O7 N4 S1	375.0969	375.09753	-0.18024191	375.09683	3603	4211	3346	4623	0	694	717	4169	0	0	0	2198	0	0	2417	17504	3033	0	0	0	0	4407	3749	22662	3646	0	885	0	1422	1186	1111	0	857	805	0	1012	924	1606	3436	1251	0	1758	0	0	0	3764	0	0	2872	1648	3718	2781	0	0	0	0	0	9142	0	0	13139	0	0	0	596	1051	1229	4743	0	0	0	1738	1000	1074	2540	1156	0	1158	10575	8447	5014	0	0	0	0	0	12669	1573	1793	64517	9437	0	34454	5038	8023	0	3122	3579	0	615	0	1281	1508	2526	0	13599	0	0	5119	0	Peptide	0.53846157	1.3846154	0.30769232
14	C23 H18 O3 S1	375.10495	375.10538	-0.025841704	375.10492	11516	0	13452	7711	6634	7947	0	7472	3631	11748	6558	0	12935	7796	1042	3646	0	8008	7233	2284	13769	12052	12687	3984	6064	23187	7014	0	6284	6960	7469	0	9802	5897	7352	0	10430	4310	8122	15789	7595	0	0	0	0	7128	0	0	3703	5086	10676	0	12438	0	10765	9030	6764	0	0	0	0	23040	9329	8850	6182	0	8861	7369	0	17699	18178	7157	2924	1221	40090	9853	0	2512	8331	0	6873	10325	2293	9764	10056	0	9556	0	6839	0	5520	5910	3616	0	14316	1358	0	0	13438	8906	7294	5377	6551	0	0	4234	11218	0	4612	16197	Organosulfur	0.13043478	0.7826087	0.0
6	C19 H18 O8	375.10745	375.108	-0.15379225	375.1074	13225	14202	11345	12762	9608	5879	5122	10254	15198	25165	17850	8736	10034	7603	7599	10751	9856	13166	16010	16051	25826	18294	10043	14446	4965	13620	7055	8525	7593	9728	8370	9291	12408	6706	25788	9724	8793	10262	13221	10876	21561	8474	1381	566	944	13476	19081	864	13456	9278	12203	15858	9667	661	15822	11257	7907	14437	8080	8183	14133	10560	15441	13097	4826	10958	8260	15168	24891	24313	42759	7947	7964	7027	6374	9685	766	8017	13277	8233	10961	10938	5744	6323	14830	8721	12467	7320	8613	18504	5721	6497	11691	13697	13380	1114	12602	12258	11721	11771	14518	9688	10164	13131	14699	9902	11681	524	7789	15947	Phytochemical	0.42105263	0.94736844	0.0
12	C19 H18 O8	375.10745	375.10794	-0.069207154	375.10742	229904	249685	228726	209331	151520	110106	115475	144206	190228	502099	348431	112468	187806	75464	113671	173596	143489	198507	228902	421996	405859	320914	156898	189373	87326	378096	128078	237116	116261	117448	126844	136422	152579	117403	1192204	117390	141561	127562	144038	574910	396132	92928	5052	1298	1179	228089	323584	1389	145037	137414	226717	225805	123724	1515	211916	147668	99615	181124	139011	149983	212438	210122	261438	176975	81334	188410	109863	159330	508194	1059508	1365214	131945	124382	110210	116391	131325	983	105875	166430	189245	165758	209973	110551	188929	191850	99807	171596	105188	120210	206079	133257	158628	180437	224482	294347	2559	244143	233666	187104	160903	157156	157500	110110	175132	233693	129097	157684	1216	108809	233141	Phytochemical	0.42105263	0.94736844	0.0
8	C19 H18 O8	375.10745	375.108	-0.11234285	375.1074	49936	48544	40979	45455	30908	20356	24737	35051	42478	77895	65659	29330	36600	18265	25460	38843	35049	36271	44052	70164	91382	56528	35040	44812	14033	55509	27072	35309	21127	26511	26018	36717	34816	22075	102457	30470	28686	28523	40302	56580	141286	23016	1845	521	897	50687	75696	733	32548	29217	46108	44897	26685	878	43052	32920	20531	34495	25622	44377	44392	43300	47281	38692	20903	33774	24205	43554	88810	84708	125147	33010	31912	24211	22794	32209	623	23922	47909	21334	38153	38646	24492	35345	44015	17857	40691	22488	27664	48800	24101	25489	42247	47935	52473	1131	45039	40062	47300	42090	32519	35234	26891	38307	44299	27694	32881	617	26477	44102	Phytochemical	0.42105263	0.94736844	0.0
28	C19 H18 O8	375.10745	375.10782	-0.16241948	375.1074	14638	13479	12854	13084	21836	9439	6633	5732	18698	26023	9799	4980	33784	11198	7192	9976	5280	23120	20151	22651	25275	18792	12436	9299	5937	16390	6604	8358	5453	4976	4721	4581	7738	4594	28633	6443	6843	5756	4527	12749	14760	7662	1954	0	0	15276	19020	2816	5143	5166	12008	12824	11390	0	20620	14673	7734	5955	7089	4002	7933	8365	26476	16733	6706	22473	9131	5653	23269	28716	30596	4846	4727	3999	3106	4536	0	4929	14122	12725	10561	8116	5829	9243	24260	11127	13297	8732	9592	5133	7996	7279	10719	13514	26924	1782	13567	14005	12360	19768	18456	7159	6578	8646	12031	6291	13545	0	8261	25615	Phytochemical	0.42105263	0.94736844	0.0
16	C19 H18 O8	375.10745	375.1079	-0.057225462	375.10742	341932	374741	328664	363381	386290	251376	161088	210153	420464	1064621	517730	152976	523920	214519	211703	229080	140558	488440	504785	787127	742350	541768	244952	243344	161028	678558	129524	385424	172129	157111	197333	202078	267403	160163	1217378	161076	249406	196841	162514	548208	447493	161489	11947	2178	2721	392249	406952	3192	216869	178948	365064	372089	273917	2780	395590	313002	188517	248534	219348	163426	252256	363995	580536	343421	159395	420860	238430	152584	678141	1031990	948644	205746	163593	140585	128737	176047	2489	152253	311906	348263	243928	361433	172578	375706	404233	214142	268870	196007	221145	220864	257134	329448	326356	426339	609793	4498	357703	350895	333630	321853	329369	217608	149383	219990	256288	229092	300389	2620	181165	569380	Phytochemical	0.42105263	0.94736844	0.0
20	C19 H18 O8	375.10745	375.10785	-0.09127946	375.10742	151847	158539	153418	150178	211626	145709	58385	76842	232046	379023	189215	59711	317019	140546	98203	89075	53365	261779	243465	317339	290062	239105	96969	106547	87338	287475	60879	168368	64868	53837	65631	65713	98895	70596	431237	59827	126617	76128	50095	235062	169117	88358	9838	2985	2259	181038	188561	5638	73876	65492	166208	164075	151566	3042	225250	184447	102733	94869	79099	52847	92962	150084	328030	200455	87780	239309	109700	58698	268573	374962	365938	77998	59285	44993	46497	60246	2899	68963	146147	163090	126541	141593	61478	174032	218595	133223	122304	95883	106335	82651	135791	141245	123201	193447	252174	5751	166033	160118	174896	202410	186480	91142	66461	103598	138468	82431	165643	4080	76509	342292	Phytochemical	0.42105263	0.94736844	0.0
14	C19 H18 O8	375.10745	375.10794	-0.05188791	375.10742	330391	342896	310303	333299	303486	195952	164212	196948	343527	811489	490809	152746	378804	170964	182046	213869	152164	372548	344204	644671	674454	497608	216245	236277	141552	623178	143451	370019	148549	162473	173541	221143	233754	156050	1022329	166698	217136	191428	161012	477455	497389	156796	9440	1261	1524	344422	432642	2086	218252	164094	314158	300978	227755	1885	324958	228581	170667	269826	255304	191100	248486	346082	437108	302295	145536	312105	190976	176233	660409	857523	1876492	178062	165686	156978	141146	187368	1456	163079	282695	317296	268369	316329	163893	334341	328094	174900	244006	180243	179443	251578	228263	238568	257775	374408	450004	3722	334696	326991	278971	278230	246001	192473	154149	244778	376872	196183	237080	1502	174611	382920	Phytochemical	0.42105263	0.94736844	0.0
22	C19 H18 O8	375.10745	375.10785	-0.11525721	375.1074	77683	75322	70473	71821	103705	68462	24296	27491	104400	156346	64248	24459	133541	59702	41894	44439	26890	140904	98748	112687	109768	112160	55682	42923	33550	113070	25269	59565	24156	19078	26841	25703	42019	26171	159169	25411	49901	42297	34520	79449	75327	36512	6996	0	2432	78776	82441	3130	35144	22558	72727	71692	78951	2411	116837	86173	52773	50313	36662	22399	39862	71230	145513	96696	39296	113182	56739	28486	108055	162377	148529	26642	20534	13248	21549	25058	3196	30326	78577	61431	66382	56367	27127	53655	135900	59443	67718	41610	46242	35087	43906	58693	41060	92383	131185	0	67278	59983	89119	115405	92220	38737	23957	37123	61135	46905	83564	0	35267	174908	Phytochemical	0.42105263	0.94736844	0.0
24	C19 H18 O8	375.10745	375.1078	-0.13636641	375.1074	35574	31353	31112	30099	53496	26778	8882	11015	48459	74230	25700	12190	94442	27658	21359	17691	10403	62640	60458	47437	55792	68039	26678	19473	16389	54171	8066	16509	10929	7489	8853	9171	15747	10057	75870	7073	16752	13666	7474	26796	32820	12289	4332	2720	0	31670	41610	2296	13303	6531	33916	32434	33227	0	59736	46295	22134	13269	11527	7997	17088	24416	88845	45942	21113	58183	23506	7959	52293	80755	82945	12640	6571	6072	7169	10213	0	11442	37401	37772	30787	25741	9530	25750	64358	27143	25145	15023	21631	15666	17559	17277	25718	54329	86589	2104	31627	33243	35815	55230	54628	18108	13495	15221	28808	15119	36171	0	17877	95535	Phytochemical	0.42105263	0.94736844	0.0
26	C19 H18 O8	375.10745	375.10782	-0.15887778	375.1074	22421	21589	19343	16734	31576	15815	3458	5784	32110	44026	15726	5551	55563	15982	9156	8583	7633	38029	31011	26386	36587	37166	10407	12978	5601	26117	4552	11630	4956	0	3935	0	11571	5543	46005	0	7443	8565	4644	24540	14496	6015	0	0	0	21148	25692	0	6303	0	20504	15906	21721	0	38863	28373	11942	8584	6015	5087	8929	12563	50826	30707	8871	33748	13091	8179	36910	50901	48128	5446	7117	0	0	5956	0	4277	16701	20890	16734	16009	4830	11226	38205	18100	15480	8965	10406	10050	10356	9881	10542	34169	54054	0	19448	20304	18868	38174	34634	7827	7452	8691	13194	7272	16014	0	10085	53879	Phytochemical	0.42105263	0.94736844	0.0
10	C19 H18 O8	375.10745	375.10794	-0.08992322	375.10742	119337	117435	96830	92509	83664	56440	56495	80106	96091	476252	163538	68451	98876	55591	60383	93245	74475	90603	105201	193491	202841	140209	74828	97974	42330	188302	64245	96570	60807	65014	66657	77296	84757	63012	559662	64523	74425	67444	88137	142259	372298	51688	3636	852	1302	108236	154078	1694	77747	71402	114377	109361	64321	807	92308	67269	48060	80366	81690	84306	95683	101226	106714	89209	45988	89405	56457	86550	237565	235954	648750	64405	67917	59677	57288	70687	1042	51989	98674	72158	94962	91982	58592	78644	95332	55324	78893	50388	62129	97732	70578	74465	103742	118787	145110	2514	112455	108197	99658	90250	83410	79196	61980	77353	101339	71854	73355	963	56900	110501	Phytochemical	0.42105263	0.94736844	0.0
6	C22 H18 O2 N2 S1	375.11618	375.11688	-0.049089108	375.11615	5522	6917	1459	4488	4978	1151	1027	1622	3792	3020	1896	8201	7170	1126	2733	7296	7225	4465	6417	1788	8877	1966	1897	5506	1147	0	6810	0	4810	4372	1761	6708	1788	1688	1964	4014	5254	4333	8315	0	4922	4269	0	0	0	0	0	0	2771	5804	1912	1690	4756	0	4735	5716	1413	2264	7988	6873	2843	0	7144	4166	1699	3515	4367	10462	0	0	0	5599	8053	4707	193905	1195	0	3141	3598	0	1565	2370	5512	0	3337	3280	1733	5364	6614	2415	0	0	9513	1596	1466	0	6258	1726	1957	5324	8576	7276	6513	0	0	2772	5731	0	4491	6783	Organosulfur	0.09090909	0.8181818	0.09090909
10	C22 H18 O2 N2 S1	375.11618	375.11673	-0.0300147	375.11615	1418	0	1722	1874	0	0	1380	0	1682	1463	0	1705	0	0	1399	0	1638	0	0	0	0	0	888	1561	3018	0	0	0	1245	1386	1261	0	1600	0	1599	1196	2098	1529	1779	0	0	923	0	0	0	0	0	0	1291	1469	0	1478	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1531	1659	0	21247	1385	0	0	1239	0	1227	1347	1470	0	0	860	0	0	0	1299	0	0	0	0	1378	0	0	0	0	852	0	0	1203	0	0	3880	0	0	1458	0	Organosulfur	0.09090909	0.8181818	0.09090909
14	C18 H18 O7 N2	375.11868	375.11914	-0.118184224	375.11862	89588	90327	86186	92184	67151	125392	69950	67721	73353	168556	108639	42497	120531	48014	55756	73387	73007	94608	90224	135047	167896	191888	63738	86746	68579	102631	51656	74890	58527	46277	49567	59283	96924	52095	199824	48522	81769	60153	85750	158694	182570	96646	0	0	0	116882	135053	402	67245	50521	88093	90776	66306	325	101691	55509	40675	86189	76358	76558	78328	120348	106554	77450	37182	90554	60081	70267	128662	159791	186541	52923	45771	38632	53210	49357	0	42359	87927	116585	68366	82671	55273	85277	71688	48733	95140	62369	60016	133810	89379	110842	136222	130178	149745	472	79591	89045	57606	73162	72519	90039	43456	83494	74702	78775	50680	0	69145	114061	Phytochemical	0.3888889	1.0	0.11111111
20	C18 H18 O7 N2	375.11868	375.11908	-0.05362481	375.11865	82472	70974	76916	56812	67982	107288	47536	118070	42160	83942	53280	45418	61024	35008	66626	56758	27934	102968	104490	48060	57106	82298	70678	101540	97794	66946	44548	39658	101148	79077	104046	84924	133564	90444	71414	56672	158681	60400	32506	62262	73622	64196	1236	0	668	59574	43158	976	119764	90562	60878	77072	68972	1528	48236	29834	32874	61956	21440	26844	66978	50766	46362	53122	33284	59359	85262	38472	74188	73612	85234	107102	68938	63898	28544	77780	0	97708	67300	53762	57348	35350	27832	28782	43172	35696	52738	61896	74408	65632	42176	58408	109146	76100	66136	1384	79384	67048	37148	40048	24686	92556	51824	40622	31754	102356	33136	0	60542	88574	Phytochemical	0.3888889	1.0	0.11111111
16	C18 H18 O7 N2	375.11868	375.1191	-0.093828835	375.11865	70314	68686	69442	67819	71557	53060	48625	49193	67154	138460	74898	27704	82606	41102	48251	57838	46301	95677	90964	86688	110297	135103	52516	73734	51837	63210	43680	59356	38686	30302	48757	42658	75486	39863	150183	30162	84770	39902	53242	117617	117352	37194	1509	0	0	75040	77490	405	59600	38268	66799	71896	55406	294	67863	55552	36778	73732	40883	41261	67662	65826	90595	119366	31882	161130	51790	55390	72768	102163	114414	38295	35972	24867	33366	34405	0	35250	69229	90804	59429	56819	37950	71413	54812	41125	71390	60144	49117	106360	80587	93557	119859	111416	144520	640	74699	70738	52321	56118	54474	70477	32587	54953	45501	84874	52047	0	59999	91731	Phytochemical	0.3888889	1.0	0.11111111
6	C18 H18 O7 N2	375.11868	375.11926	-0.125062	375.11862	41122	38934	38613	38564	31505	20592	19839	31347	39686	92028	57282	20529	50443	14848	21700	36269	34647	40244	42096	62426	102093	66248	28426	42644	13641	31949	19128	35005	22522	21519	28571	29514	40545	28691	110574	27001	38275	21075	48264	51617	92640	20990	0	0	0	50244	92555	0	36671	22720	42604	39767	28637	0	41097	30960	17579	37170	15618	30809	32460	48170	55999	37638	17559	37021	29609	51313	70182	64109	116824	22838	22940	16618	13593	20877	0	16211	26665	35728	23408	35649	15961	25384	36802	25102	31408	26200	27028	46563	21934	30017	43891	62002	71831	0	41872	38979	24543	36355	36914	36665	19583	32625	41413	38023	26233	0	18244	53848	Phytochemical	0.3888889	1.0	0.11111111
8	C18 H18 O7 N2	375.11868	375.1192	-0.11608807	375.11862	73130	81626	61727	77868	49160	32069	32618	43699	66280	169056	101851	37999	88406	23789	31012	60808	48298	55642	79548	138535	195949	145612	45171	59075	27153	68675	31020	61646	36556	33616	44303	50659	55929	41523	203838	35084	58074	32403	64522	144385	177853	32730	777	0	0	109145	150596	0	52341	43992	78778	71903	44822	0	71318	50875	30278	49360	38344	53652	55935	92315	96742	66852	26682	74477	37680	64496	133405	139686	246567	37437	41368	27128	24993	40914	0	32244	54616	75678	42458	72583	35344	63483	55336	30043	50490	38634	39247	87144	54542	71290	82009	121172	141024	0	74806	73495	50568	63806	51135	57416	28822	63105	69054	56282	46727	0	35609	87816	Phytochemical	0.3888889	1.0	0.11111111
4	C18 H18 O7 N2	375.11868	375.1193	-0.15289548	375.11862	8075	9819	7726	6996	9139	4255	2862	6047	11315	14344	16260	5040	12521	4218	5207	6030	7239	10678	10113	14064	21973	15138	6672	7626	2642	8881	3644	5291	3584	3543	3676	4047	6913	3946	21124	4278	6871	5866	10400	14488	21382	4568	0	0	0	9190	27110	0	5088	4816	8565	7501	5671	0	11425	10280	4223	5662	3646	7731	7364	10797	16868	11339	5712	9368	5197	8980	19511	10576	24582	4519	3192	3826	0	3786	0	3346	6652	8507	5723	9067	3518	6129	13311	5951	5472	6300	5746	10887	5293	6169	10606	13617	14514	0	5637	8935	9745	14229	11967	6182	3847	7255	11531	6447	7270	0	3878	15763	Phytochemical	0.3888889	1.0	0.11111111
18	C18 H18 O7 N2	375.11868	375.11908	-0.11226955	375.11862	59215	58681	42736	55494	51855	40772	36197	37905	45218	86816	49809	26498	57585	23538	25000	44880	38264	58463	63737	53346	61453	86949	45589	51288	37726	50234	33194	43202	27597	22186	32802	19039	64565	25834	80879	25960	74537	27140	41734	60162	79075	36523	1220	305	316	51641	42081	662	36333	29388	52427	43845	36615	554	42503	28507	23374	45575	26416	23955	38545	53225	49492	35234	22432	51716	32976	42288	55949	78463	101499	34374	18288	16850	20829	19934	339	19979	50723	50884	44199	37622	20707	45164	52495	27070	52074	44071	33289	71405	66200	56977	71974	72604	82154	436	54884	33716	25343	40088	30594	48546	21825	31206	26787	51885	29908	453	43738	70725	Phytochemical	0.3888889	1.0	0.11111111
8	C15 H22 O7 N2 S1	375.12204	375.1225	-0.22829734	375.12195	6731	9339	8092	8646	3681	5251	6973	11201	3097	2352	2159	7141	3900	1162	5553	10382	29560	7722	6471	3154	3832	7190	5768	8904	4174	0	5891	4161	13720	9874	9585	14544	18755	8300	4073	11843	18075	6729	33338	2381	3761	5638	0	0	0	3040	2437	0	13827	8785	6905	6668	4968	0	2864	1329	3169	8222	2636	0	9302	0	2564	4632	0	6002	5172	29825	0	0	0	6686	9601	9996	8027	12081	0	6050	5316	3079	3631	1801	2516	0	2219	0	5305	7631	7616	10286	0	14295	7752	2529	3063	0	9864	10089	3263	0	3187	15354	5694	6045	0	10133	3439	0	4374	3915	Peptide	0.46666667	1.4666667	0.13333334
24	C23 H18 O5	375.1227	375.12305	-0.1302796	375.12265	1149	1910	1603	1179	1412	0	0	0	1152	3690	9851	0	1388	1511	0	0	1442	1178	2646	2450	5072	1757	0	1511	0	22681	0	7678	0	0	0	0	0	0	6338	0	0	990	0	4724	7770	0	0	0	0	1379	5884	0	0	0	2771	2005	1593	0	1626	2817	1503	0	1082	1111	0	3609	1820	1209	0	2904	2207	0	18500	14365	20387	0	0	0	0	961	0	999	1809	3426	1254	4088	0	5128	5685	0	3227	1431	950	2519	0	0	0	3895	4998	0	1585	1757	1607	1704	1953	1304	753	1394	2105	1031	0	0	1411	1743	Phytochemical	0.2173913	0.7826087	0.0
22	C23 H18 O5	375.1227	375.12317	-0.10743235	375.12265	2903	0	5307	2278	4255	2477	1518	1318	2425	5624	16881	1882	0	0	1887	0	2510	0	2859	3981	6365	4467	2082	0	2691	39553	0	14146	0	1688	1296	0	0	2025	7186	0	0	0	2706	3607	10313	1132	0	0	0	5317	7591	0	1343	1691	1948	1908	2240	0	1691	1822	2964	0	1580	1481	1910	5835	0	2382	2608	5062	4467	0	33205	17365	40829	0	1327	1399	1385	0	0	0	1985	4364	4055	5433	0	6074	3302	1613	2140	0	2809	2923	0	0	0	7240	4857	0	3987	3760	4550	3026	1477	2110	2079	0	3111	2727	2484	0	0	1522	Phytochemical	0.2173913	0.7826087	0.0
26	C20 H22 O5 S1	375.12607	375.12634	0.039900098	375.1261	4820	3189	3320	4814	3070	0	0	0	3235	9256	7891	0	0	2335	0	0	0	0	4346	9672	12470	8370	0	0	0	23015	0	10083	0	0	0	0	0	0	7995	0	0	0	0	11179	15751	0	0	0	0	0	0	0	0	0	3621	3148	0	0	0	0	0	0	0	3112	0	6448	2205	0	0	4717	4587	0	22930	14563	26012	0	0	0	0	0	0	0	2801	5212	0	3352	3866	8949	0	0	3685	0	0	2130	5399	5104	0	9788	9447	0	0	0	2937	4003	0	0	0	0	0	0	0	0	0	1648	Organosulfur	0.25	1.1	0.0
16	C16 H22 O10	375.12857	375.12906	-0.009832073	375.12857	20005	14893	25922	17893	28514	25428	7811	18113	54630	23214	12243	8015	70974	12157	21664	14218	5733	52288	54350	20730	27171	34058	19956	21583	10497	3530	5382	0	20820	15509	16686	18654	32773	15879	42642	16703	33455	14127	7029	16316	11134	19902	0	0	0	12106	5971	0	20233	10984	23861	22577	27107	0	110505	28856	13884	11858	23774	4229	0	18564	61864	67216	10381	31553	23274	7185	0	0	0	21579	21535	17237	7212	15065	0	15911	13033	0	8102	10364	7871	6417	19591	16041	13443	11967	24208	0	10499	26476	0	13685	14694	0	18189	26741	18653	13566	17403	28185	9362	11583	7017	17604	20784	0	7891	79647	Unclassified	0.625	1.375	0.0
14	C24 H22 O2 S1	375.14133	375.1417	-0.3426259	375.1412	6212	10238	0	6108	3860	7595	0	14819	10295	3139	0	10337	13908	3423	7581	7430	0	5118	5999	6934	10363	12654	17193	8975	3539	6158	7281	0	11725	3650	12445	0	24402	6097	15746	11184	21243	0	19771	5978	0	12480	0	0	0	11597	0	0	4030	7793	10087	0	8354	0	9279	8650	9341	5899	7681	0	0	13920	20884	13791	0	9742	9665	17423	0	10090	7738	6153	5699	10121	29521	4211	0	9551	10229	0	0	5852	10900	13684	9367	4221	10221	3886	5330	0	3289	7162	21437	4664	3165	661	4229	5575	0	5870	0	7025	5650	5074	0	16761	11986	460	13166	8849	Organosulfur	0.083333336	0.9166667	0.0
16	C24 H22 O2 S1	375.14133	375.14172	-0.27142128	375.14124	9931	11346	0	6812	9790	8482	8651	14674	9932	9936	0	7950	3779	0	4048	13827	13789	13372	5124	0	7322	5864	8851	10140	11088	5028	9818	6942	10694	11945	4840	0	15548	11780	4090	15709	11832	4930	19919	7216	13838	13362	1530	569	0	11073	10876	0	7978	14916	8451	18094	7886	517	5011	7774	7595	14587	5360	0	0	10126	8334	10788	8701	13871	5897	13191	6742	5478	9114	7010	11170	14085	33500	8156	0	10160	7454	0	14742	11665	10375	6732	11851	5765	9630	10047	6420	0	19578	6393	0	8104	12924	729	4080	4518	4016	8497	10063	10780	10308	4000	0	0	16320	500	4997	9038	Organosulfur	0.083333336	0.9166667	0.0
20	C20 H22 O7	375.14383	375.14423	-0.08658357	375.1438	732562	757193	731270	640713	692929	527343	301371	548852	736601	1644283	768213	325515	1048493	486488	494366	528900	299795	889099	865141	1616277	1507120	851033	523674	621164	421504	1687395	299552	755984	500997	443174	458540	469783	601916	490930	1830514	415454	689286	401584	333760	1102797	756959	398951	25593	12428	7216	681460	616481	12258	505519	450484	705173	772326	558779	9114	772220	613483	389238	569842	494399	318269	550809	716223	916949	628919	298303	764226	488178	338141	1396431	2314361	1977911	531407	475850	430720	317946	466313	6626	386202	611477	461888	527928	449752	398688	760358	659802	408812	554170	426683	450085	459052	646967	669326	715872	551902	698239	14864	736503	728726	567032	676271	648154	513270	372742	594601	446635	508693	489081	13376	413958	1070927	Phytochemical	0.35	1.1	0.0
12	C20 H22 O7	375.14383	375.14432	-0.11195941	375.1438	401691	467002	414784	402435	222710	166719	304558	410478	276739	1055334	393413	244328	203290	132074	265991	427536	325419	244067	316161	1387916	1268248	438881	321952	449206	232181	1517586	309358	353385	319568	341336	338726	387758	347153	301699	1202382	324413	323884	283299	381788	932004	537857	177730	11699	3913	4308	764508	453362	5113	397660	405954	418550	452312	207379	4969	285997	214933	164080	398769	337545	360278	502887	289627	323430	221256	131135	244122	194412	386362	778156	1820230	2079814	324276	330166	344297	349508	377800	3082	247838	355382	273336	370366	627760	321260	622298	266663	166327	340297	149350	203769	472243	299876	321750	401408	251059	702370	8405	428979	419026	261081	227170	228445	349848	250789	415539	300649	307418	214221	4196	288788	280391	Phytochemical	0.35	1.1	0.0
24	C20 H22 O7	375.14383	375.1442	-0.1255941	375.14377	98760	107042	94414	99494	117618	83322	43014	72686	123934	184848	105505	53466	190349	73996	65387	67271	47982	142966	150487	173798	182899	116362	89941	83556	55236	180203	37826	89219	58764	49747	52207	65519	78664	57566	211330	55679	97959	48677	45629	131564	109518	50113	11891	5291	8151	97159	81998	8328	72673	55009	97281	103135	92425	6610	139700	123186	58875	81882	56753	41977	72565	84348	162008	107471	44526	154532	70646	46502	181388	251960	277066	68100	52574	52272	40672	56786	6294	58145	102713	59784	86190	66878	48349	83120	142202	70560	93363	61782	60952	60677	77333	71782	103626	74187	119722	6349	107236	99914	89531	139696	136981	66119	49623	74957	63182	67734	81175	4849	52759	178798	Phytochemical	0.35	1.1	0.0
26	C20 H22 O7	375.14383	375.14423	-0.16618875	375.14377	41282	44998	41712	39492	57510	32039	15158	34243	55450	75147	37248	23424	88678	36056	29071	40535	23300	59370	67479	83993	84028	51177	42186	42999	22382	72737	10608	36859	25882	27175	27476	23919	34696	28698	86536	31094	37646	24238	28566	51746	57218	22872	8224	0	0	43424	37001	0	32937	25717	45419	45625	42035	0	56303	54923	25659	34393	22104	19417	36929	32475	75410	45098	21312	62421	33910	30118	97395	121045	136767	27761	26057	26384	19937	30541	0	22844	44824	30883	43356	28780	19459	37110	60659	31388	41325	33634	28550	24931	32280	34146	46173	33318	53315	0	44900	50963	34341	66788	61287	33152	23841	31107	25229	34216	42070	0	26962	74341	Phytochemical	0.35	1.1	0.0
16	C20 H22 O7	375.14383	375.1443	-0.05919421	375.1438	1069386	1162761	1133680	1059951	937171	642294	636608	993609	997069	2011617	1227447	689901	1058612	559608	791417	1013248	714678	1040913	1186512	2202115	2137253	1108378	906558	1131461	678869	2764982	587260	1056106	831960	781244	911026	941226	988935	784400	4308138	859857	952534	722224	848095	3177182	2948594	577186	50152	7372	8095	1034977	1027666	8547	1055043	927883	1119260	1118123	759048	8488	958672	758704	565104	1062516	759385	757950	1001830	994070	1113388	836683	446919	976421	653258	738665	2313025	6765072	6573596	984590	889523	860136	720219	980750	6760	673076	1061055	687698	892994	903899	815982	1161179	997500	556101	982583	614626	686576	1078874	832970	942218	1221796	705912	1104548	14841	1118221	1083679	794118	822144	807401	897485	615812	940694	562107	911444	743668	6802	822751	1177691	Phytochemical	0.35	1.1	0.0
22	C20 H22 O7	375.14383	375.14423	-0.08912194	375.1438	297702	310787	273334	291235	318772	264511	112478	211225	331602	636645	324512	165582	406072	207940	193185	207637	127445	454718	338706	618425	573734	331420	225732	245965	186874	595726	104182	284272	190990	160136	185661	188045	238367	197740	688157	170266	266390	173584	137396	394580	295302	153649	21038	9322	7558	289929	265113	11242	193813	169856	311222	299452	258440	7695	381240	314337	174981	215483	184349	117693	217161	289271	426745	294174	127775	358446	205989	135090	535225	948528	744046	212487	162012	152182	107633	177354	6931	159679	270216	162781	225094	204721	144194	254722	341492	189774	250845	166590	189521	175398	251702	253389	273721	212600	329638	12355	281502	284307	250180	366589	343829	218353	158533	218895	191220	194234	231091	7161	172669	516800	Phytochemical	0.35	1.1	0.0
10	C20 H22 O7	375.14383	375.14432	-0.17074288	375.14377	175927	161526	289134	139144	79450	72106	111919	179480	94369	403614	267278	110256	86534	62096	109153	168714	127840	88116	115073	466684	453608	327880	117431	180232	86610	558180	124209	113202	126515	149199	139803	148827	147605	119239	406560	135745	135222	118390	155652	168893	386686	73657	7507	4117	4698	163045	338534	3684	150963	152356	322374	150316	68902	4228	115596	82565	62357	155998	137421	144378	175386	211196	92065	89751	60173	98001	69168	155528	254824	608324	715362	132369	124787	150381	125903	149736	4517	101580	164539	94879	154320	254886	131903	230952	104752	63496	130469	63162	82210	158750	98506	118689	164101	101040	295360	6699	151346	153424	95152	93740	93484	132817	103334	161624	131233	125370	80644	4205	117587	98824	Phytochemical	0.35	1.1	0.0
14	C20 H22 O7	375.14383	375.14432	-0.08642625	375.1438	836292	811341	755885	784024	552061	396081	536663	758234	619867	2403438	864997	532869	589034	334445	551044	729339	584399	595649	662230	2871204	2817488	825969	612442	776782	505454	3544074	511585	770623	574476	687658	604978	739936	698226	566647	2724770	651506	600603	547941	653564	2076624	1052217	416309	21129	5279	4614	692659	771973	5596	723934	676278	752060	691908	469824	5158	603892	476471	394742	794673	629392	669385	792029	1294280	676167	575655	301658	576768	422963	632424	1576510	4169226	4537476	661889	645803	637660	526958	690288	3501	490907	768976	507617	758145	615498	617560	1497664	607983	370571	708176	419559	464839	784103	584930	550534	810002	509985	1242884	10402	765822	761521	513315	583844	529180	584649	516448	814184	498086	621276	449985	4920	591661	597681	Phytochemical	0.35	1.1	0.0
20	C19 H22 O6 N2	375.15506	375.15546	-0.17583787	375.155	33547	36012	33556	34030	32717	30720	26538	32787	26064	37452	32460	28612	24556	24995	32686	39114	24265	26531	38518	29953	42612	44258	30773	51209	41357	18822	34567	34715	28389	36409	33855	28941	37656	23101	37603	28259	45598	31010	22049	40413	33975	25150	1479	0	316	22968	24938	0	30758	29544	29026	35781	34017	325	31011	15599	29320	43725	20212	16604	38807	29516	19755	16239	25280	30191	33103	26000	21322	29534	39552	23282	19945	13688	19598	22625	0	24160	47396	25952	36326	19802	16001	30363	19686	33412	60930	34499	33566	65553	48658	42119	76769	25842	32459	0	29358	33628	30242	21956	15380	44884	24725	26368	16973	50674	25279	0	52976	28963	Phytochemical	0.31578946	1.1578947	0.10526316
16	C19 H22 O6 N2	375.15506	375.15546	-0.22263472	375.15497	154200	138650	137279	146488	78803	69273	348697	119237	118319	163477	105137	80200	84946	59330	304685	137803	88411	97907	126823	165430	162045	177350	133338	163662	376805	115844	302452	137233	108610	109806	106930	121157	157446	105409	211953	105318	146461	373298	108022	184320	162919	69572	1612	458	0	127245	110774	615	137382	108003	142418	144712	89076	473	103021	83730	233320	153336	96168	74578	141686	103737	73957	65859	216705	82478	85359	106592	110921	218744	176080	117546	81805	93871	85262	88988	0	101375	246237	128789	315591	94047	92472	121754	86696	337124	339495	92418	89927	182102	157543	186463	277597	112667	156790	640	156053	139521	160688	59202	66481	148915	92643	112058	69793	161466	97331	492	489065	92177	Phytochemical	0.31578946	1.1578947	0.10526316
22	C19 H22 O6 N2	375.15506	375.15546	-0.123451106	375.15503	10062	12007	11338	11014	14550	9878	9148	17220	9178	14564	6684	9990	6742	5899	18282	31904	24367	7579	12424	4477	7279	17067	19925	39381	11127	5870	10945	6166	9424	9587	11096	15565	19324	16928	5749	9151	21274	14011	26669	11306	11877	12937	0	0	0	10118	5175	0	12838	12017	14543	12181	17609	374	13391	4774	7732	24689	5313	7337	24619	7316	5761	9899	5996	12490	7197	23471	4460	6402	11361	11329	6012	4884	11194	11620	0	7789	27939	11455	23810	7623	7455	6750	12279	5836	23833	20486	11630	54814	11874	11209	35227	7658	10109	0	16547	10371	6451	11001	9790	20522	9584	8581	2607	30497	12845	0	27033	14339	Phytochemical	0.31578946	1.1578947	0.10526316
24	C24 H22 O4	375.1591	375.15945	-0.109800644	375.15906	6507	5564	4044	4514	6491	3111	2355	4116	5892	8103	14844	2162	4429	3808	3233	5270	2835	3980	8241	9232	10515	7083	3203	3688	4099	46467	0	13913	2399	3560	3710	3774	3343	3429	9030	3653	4117	2197	3196	9644	16743	3963	0	0	0	7395	5126	0	2035	3527	6982	7025	6609	0	2671	3146	3616	4516	3681	4193	4653	7851	5131	3304	2805	7184	9231	6051	41167	23355	42304	2969	2007	1900	2403	3633	0	2905	9007	8765	5606	5996	4827	10073	7685	3248	5844	5525	5174	5137	3195	1739	7586	5781	4478	0	4718	6315	5189	3083	4011	5564	3118	4496	7600	3500	6896	0	2941	4216	Phytochemical	0.16666667	0.9166667	0.0
22	C24 H22 O4	375.1591	375.15945	-0.16249909	375.15903	5714	4826	4545	6159	6598	1442	1992	4676	5068	6377	15685	3319	2800	0	2826	7810	4820	5175	3001	7476	8034	6178	4919	4616	3517	38375	1887	9209	4137	3666	3752	4646	2742	5695	5589	6172	3774	3918	6193	8360	10435	6363	0	0	0	5155	6163	0	2900	3912	7987	7202	5384	0	3604	5048	3759	5992	2643	5021	4416	6161	2719	2315	2725	6574	9023	4960	35072	21434	39440	3458	1590	3599	2148	4669	0	3708	5591	7461	4841	5864	5076	7505	6330	5661	10011	6681	2594	6843	5796	7295	7291	6876	4225	0	3544	7332	3906	3369	5137	5028	3258	7432	5326	5403	3131	0	5104	4283	Phytochemical	0.16666667	0.9166667	0.0
26	C21 H26 O4 S1	375.16245	375.16293	-0.009321892	375.16245	7445	6501	8882	6394	4763	4204	1770	0	3933	16085	22527	0	5973	0	0	0	0	0	5495	20152	18919	18335	0	5273	0	54613	0	22754	0	0	0	0	3782	0	16608	0	1829	0	0	22304	26747	0	0	0	0	11052	11066	0	0	0	6540	6742	3576	0	4309	0	3812	4132	6175	5832	0	17773	3168	2770	0	6041	6491	2830	45036	34752	38445	0	0	0	0	0	0	0	3010	25030	0	11070	7075	20151	5150	0	4987	0	4254	5754	18705	20567	5200	24358	22672	0	8221	9938	0	8860	8407	0	0	11676	7425	3791	4988	0	0	2300	Organosulfur	0.1904762	1.2380953	0.0
16	C17 H26 O9	375.16495	375.16537	-0.12969548	375.16492	11175	15164	20105	11952	15362	17504	12229	20306	25433	14750	0	8718	36174	13500	21884	12107	4133	26948	32314	17109	0	8895	16736	12911	15364	1803	7898	0	23335	14932	22201	23948	24535	19855	18622	23376	29299	12757	5368	8320	1914	12037	828	0	0	9026	0	0	18631	15808	13185	12797	15914	0	57184	14647	10945	15236	21495	0	17573	9768	29572	29110	8793	23584	12915	6335	0	4591	1663	17165	20608	22811	8302	15384	0	12388	8957	0	7810	4073	14318	0	11868	14306	8024	9284	13472	0	11198	25937	0	5248	7682	0	19520	13400	9811	13226	10488	24491	11409	11447	0	18330	14566	0	7631	28911	Lipid	0.5294118	1.5294118	0.0
20	C18 H27 O3 N2 S1 Na1	375.1713	375.1717	-0.15557343	375.17123	4634	7629	4214	5274	6046	3106	0	5569	1827	9964	4048	2332	6920	2097	4031	6993	3986	4700	5446	13530	16610	4851	2753	2539	3077	19719	2920	4666	2626	4643	2842	3641	3498	3946	16871	3283	3806	4189	2922	8130	5321	2844	2288	0	0	3902	4183	0	4916	3297	4352	3681	4312	0	3451	5000	2584	3643	2762	4417	4526	5706	5146	5420	0	2907	3244	2938	14640	21333	21298	3780	3017	5257	2021	4175	0	3512	2934	2372	3733	4399	1507	0	2655	2511	3187	2914	3186	3261	4696	2337	5400	3057	5117	0	4689	4575	3728	5078	4549	8968	2685	4354	1534	3818	1670	0	3233	5364	Organosulfur	0.16666667	1.5	0.11111111
18	C18 H27 O3 N2 S1 Na1	375.1713	375.17166	-0.20610185	375.1712	3703	4751	3239	4916	4242	2570	2806	3755	4096	8743	6816	2867	3615	2567	4923	5074	3386	3263	6647	8763	10047	2857	4597	5296	1767	18776	3316	5952	0	4747	4646	3968	5147	0	8596	2619	4537	1695	3635	9360	8176	2427	0	0	0	3359	3390	0	3351	4682	5560	5817	2428	0	4560	3108	2376	5907	2665	3149	4396	2305	5696	1667	2824	3801	1157	3931	13869	21648	17212	3756	3869	2975	4418	9648	0	2687	4762	1995	4144	1922	3330	3423	3756	2696	6001	4239	3190	6272	3932	5058	5598	0	5502	0	4135	4400	2712	3875	2411	3274	3150	5179	0	2909	3288	0	4308	3448	Organosulfur	0.16666667	1.5	0.11111111
0	C16 H26 O8 N2	375.17618	375.17685	-0.2685306	375.1761	29014	25527	25439	24755	3592	1271160	0	4776	3318	0	0	3119	2409	0	4609	0	1331	4632	4178	0	1418	4833	2598	3451	3579	0	0	978	6212	1989	4948	4502	8283	8047	1768	4575	4443	1519	3294	0	0	48739	0	0	0	0	0	0	4554	2430	23764	23634	2044	0	3156	1384	0	4821	1295	0	2568	0	3148	3757	1149	3623	4683	3992	0	0	0	5910	6978	4423	0	5585	0	27285	1624	2313	1246	0	0	0	1280	0	1298	3188	4186	2439	5850	4288	4964	2152	0	0	27392	26633	869	1146	1261	5192	42806	0	0	5909	1082	0	0	5540	Lipid	0.5	1.625	0.125
22	C21 H26 O6	375.1802	375.1806	-0.10315587	375.18018	1113475	1159365	974234	1108329	973818	842356	537566	997393	988162	1911530	1083940	559954	1062088	621549	810759	954075	577013	1352844	1121392	2196500	2061536	1146550	842296	1090924	845686	2165634	478974	1073462	984928	850816	884957	923679	1155392	915035	2007176	925751	1324104	703406	613892	1415981	983907	643526	42989	15271	10703	940615	702197	17446	1008903	837007	1082781	1078953	810043	12257	1095505	866446	583523	1034413	807135	497716	985227	951873	1175776	869899	433515	1051572	763435	611057	1759594	3195474	2556790	1036401	857974	819061	522167	905375	9500	691487	891239	551164	732605	591515	685594	864976	886146	635071	873098	678165	763337	740625	1114304	1126424	1273511	711078	1113741	19889	967430	1063774	707616	1010421	884383	1089830	626464	1089276	623490	900958	693753	14373	676019	1349742	Phytochemical	0.2857143	1.2380953	0.0
20	C21 H26 O6	375.1802	375.1806	-0.09401484	375.18018	1722990	1847051	1709237	1527611	1516049	1243398	946636	1585123	1454242	2942257	1693901	1002471	1675671	1039484	1338007	1669665	1101955	1686801	2005521	3488058	3416210	1675094	1260002	1755607	1137809	3887061	971795	1685712	1549019	1383463	1294967	1414936	1787690	1425067	3029003	1409406	1976996	1098397	1187777	2246212	1857430	1104726	41686	14149	7942	1419201	1300699	15820	1591272	1303384	1731347	1757536	1206258	12868	1532896	1271044	919252	1689826	1278204	1003882	1570211	1397770	1618449	1322718	694726	1504383	1103716	1252963	3147495	4917905	4696644	1452560	1431381	1441467	1234103	1420989	6944	1159197	1467230	1023444	1179294	865254	1227139	1534428	1371069	941896	1427151	1111459	1211145	1384180	1817308	1654010	1951397	1138894	1448044	19603	1748250	1776965	1148593	1274741	1357338	1744987	1050481	1793013	937069	1481704	1092397	14984	1165960	1833118	Phytochemical	0.2857143	1.2380953	0.0
24	C21 H26 O6	375.1802	375.18057	-0.12310808	375.18018	378108	392389	356209	391920	376286	314414	159885	324913	359149	645501	364747	191100	583066	256513	296900	338709	204569	510112	560956	745708	652446	439809	298783	410128	268345	666371	142127	357471	307730	295398	294645	320657	404995	318935	735586	333418	504754	213485	223885	486696	343815	230396	17140	9312	12783	343202	248302	13052	357947	263240	384832	367511	310772	10393	430422	329266	183654	392697	283918	139823	361418	319755	457689	329058	151779	459677	275351	214515	606099	1046879	840410	349178	306446	271372	181987	279041	11809	247385	339351	196256	282917	222524	218785	296641	363876	223434	297278	228605	278363	289218	374951	392245	546832	250799	380720	9758	376794	360269	228090	353353	362199	355558	195918	354197	230455	305028	247877	9373	230613	530740	Phytochemical	0.2857143	1.2380953	0.0
26	C21 H26 O6	375.1802	375.1806	-0.12715822	375.18018	97744	88944	89784	89052	98894	77586	41771	100538	101487	127700	86958	56951	165184	77930	77847	100935	67471	137366	149917	161868	174747	98997	84216	116820	72885	169537	41252	86548	89004	85600	84099	77270	113250	83800	154832	81303	126451	62564	69228	105801	92380	68115	6626	0	0	86468	60481	7443	94106	79686	95498	100139	86447	0	119372	108449	60534	98719	67666	45413	96509	71522	121498	92580	40630	123191	85803	72114	158949	225759	234995	82794	76072	87492	59410	94677	0	68598	98522	53472	71904	52782	57778	72251	106955	61601	95620	73226	73469	74405	91044	85111	127643	58197	91911	10493	87809	105429	65909	127141	129006	110478	60645	86064	55508	74518	68745	5831	58662	119898	Phytochemical	0.2857143	1.2380953	0.0
28	C18 H30 O6 S1	375.1836	375.1838	-0.09167485	375.18356	0	1284	855	0	0	0	0	0	0	1683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3144	0	0	0	0	1674	0	1063	0	793	0	1367	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1713	0	0	0	0	0	0	0	0	1307	1637	0	0	0	0	0	0	0	0	0	0	0	5267	0	0	0	0	0	0	2750	0	0	1953	20730	16095	2223	0	2603	0	839	1876	0	0	0	0	0	7756	0	1387	0	0	1085	0	Organosulfur	0.33333334	1.6666666	0.0
26	C18 H30 O6 S1	375.1836	375.1836	-0.26629248	375.18347	0	2575	2074	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1639	0	0	0	0	0	10072	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2255	0	0	0	0	0	0	0	0	2443	2464	0	0	0	0	0	0	0	0	0	0	0	45277	0	0	0	0	0	0	0	0	0	3647	28708	20097	0	5384	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.33333334	1.6666666	0.0
2	C15 H26 O7 N4	375.18744	375.18805	-0.21259594	375.18735	9683	10473	8212	6718	1555	24224	1003	3392	1923	2598	20266	1635	2404	1747	2495	655	3096	4240	2564	0	543	3540	2213	3291	1416	0	0	118261	3812	1793	3152	3301	6668	4538	1087	2216	4287	2388	3936	0	0	0	0	0	0	651	521	0	4098	1879	9376	10722	3635	0	2355	937	1110	4962	464	0	1456	0	3092	1245	0	6571	3042	4486	0	0	0	4959	3159	2289	0	2340	0	1325	2150	723111	1974	0	0	0	1768	2075	3409	4218	3396	7430	277035	112448	7647	92034	992	0	9815	7499	3544	1571	1304	3170	2827	997	0	4214	1996	0	1994	3708	Peptide	0.46666667	1.7333333	0.26666668
6	C15 H26 O7 N4	375.18744	375.18762	-0.064193465	375.1874	836	0	962	1003	0	0	487	0	0	0	0	0	0	772	0	0	0	0	0	0	0	0	727	0	0	0	0	4018	979	0	0	922	0	0	767	0	0	1154	0	0	0	0	0	0	0	0	0	0	1427	0	1038	1124	0	0	0	0	0	0	0	0	0	0	658	0	0	0	0	0	0	0	0	725	0	0	0	0	0	440	0	29430	0	0	0	0	0	0	649	0	0	2156	24511	11403	1042	5177	0	0	1663	0	535	440	0	0	0	0	0	0	0	0	0	688	Peptide	0.46666667	1.7333333	0.26666668
4	C15 H26 O7 N4	375.18744	375.1881	-0.036418553	375.1874	1211	1522	1715	947	0	1307	690	0	0	0	2039	399	0	0	1028	689	0	560	0	0	0	0	846	933	543	0	0	5503	0	0	486	0	757	0	0	613	695	891	2076	0	0	0	0	0	0	0	0	0	1419	528	1290	1199	0	0	581	302	476	1345	0	0	1057	0	584	461	0	889	402	0	0	0	0	0	0	752	0	558	0	564	737	177531	478	0	285	0	536	406	818	586	0	1675	65931	19769	2221	14698	1423	0	1495	1813	1080	0	533	0	0	0	0	1137	364	0	0	406	Peptide	0.46666667	1.7333333	0.26666668
2	C20 H26 O5 N2	375.19144	375.19208	-0.25685832	375.19135	9344	7049	6250	6824	1529	0	8847	13693	2548	7732	4834	7517	1328	1617	8391	6501	11370	3079	4842	9023	14843	10726	7598	10512	6086	5925	3319	6042	9677	8550	8700	9498	11704	9833	10684	10859	9084	6073	13889	8747	10955	3974	0	0	0	4885	7983	0	9831	10838	7581	7268	3350	0	3917	1522	1885	10051	2533	3247	6841	6499	1796	2998	0	2902	4319	16072	6093	9028	8717	11079	9551	12027	6460	9626	0	7825	8276	5385	6250	3860	4718	6038	1708	2373	7788	3853	3755	22483	7899	9246	15734	7058	6259	0	8072	8959	1383	1046	1610	9237	6818	10535	4818	9190	1497	0	7790	2038	Phytochemical	0.25	1.3	0.1
24	C25 H26 O3	375.19547	375.19583	-0.14737625	375.1954	9796	11075	5954	8414	7741	3183	4608	8587	5359	5526	11843	8376	4238	3580	6776	11327	13495	5354	8731	7825	8716	6655	9260	13393	6703	32758	4914	9804	5339	8750	10242	10418	10833	8629	7660	12569	10093	5168	11088	11136	12352	8314	0	0	0	7215	9357	0	10651	8596	7204	8781	6977	0	4301	4113	6086	12570	3402	7136	7635	5078	4423	4138	3895	5013	15754	13738	20471	14710	29201	5980	7086	9535	6174	12124	0	8789	11607	6507	7776	8001	7772	10881	7015	7260	10526	8761	9807	13480	9113	7316	12816	6315	6258	0	8483	7073	5169	4161	3931	11589	7312	11891	6359	12143	7130	0	9403	2808	Phytochemical	0.12	1.04	0.0
22	C25 H26 O3	375.19547	375.19583	-0.21139117	375.1954	5609	7926	4977	5401	6682	2460	3586	4833	4532	2448	6825	4602	0	0	5063	10159	10263	4748	3455	5710	3084	5287	5759	6193	4158	15961	6033	4534	3813	7920	6983	6665	9684	4229	4496	6699	4062	5948	10664	6195	5846	5309	0	0	0	4288	6094	0	6321	6818	4658	6596	4770	0	1861	3369	5414	5970	3285	5816	7676	1963	3493	2469	4132	4504	6251	12177	10477	8094	21341	3830	4823	5239	7100	7480	0	5699	10381	4581	5513	3818	4427	2702	4039	3526	11030	5342	4178	12083	3626	6563	9445	3662	4205	0	3046	5639	4729	3202	5646	10359	7184	6202	2811	7341	2804	0	7336	0	Phytochemical	0.12	1.04	0.0
12	C19 H26 O4 N4	375.20267	375.20303	-0.20798178	375.2026	3693	2236	4054	5364	1638	2267	0	3010	2605	0	8393	2608	0	1439	3757	4746	3175	2896	2901	16663	19714	0	1852	0	3401	12671	1420	10719	2279	4967	7276	2477	7641	3587	13320	5324	5974	2956	7071	0	6675	4085	729	1090	486	0	4451	657	5546	0	3197	4616	1543	1362	1614	956	2350	4312	0	0	0	5675	3763	1168	1981	0	3467	0	0	20024	20919	5212	4941	5357	5952	4558	402	3964	2668	193794	1239	0	0	0	1381	1459	3454	1476	3448	11101	51482	13005	12557	12987	6796	628	4408	5129	2594	1455	2076	6953	2610	0	0	4384	1879	706	4213	1679	Peptide	0.21052632	1.3684211	0.21052632
20	C19 H31 O2 N2 S1 Na1	375.20767	375.20798	-0.22605354	375.20758	19557	24085	11383	15350	12611	10692	13539	16429	13137	24713	18021	10972	6615	16119	11043	22416	22644	14016	20967	31805	31089	14616	12939	22562	7287	56439	10176	20346	22131	22316	19165	14145	26438	19019	29879	20533	16545	15240	18961	10992	17487	7209	1530	1743	524	13977	10185	2051	15574	18078	22431	26587	9090	1084	11267	15210	10933	21314	16974	14763	13771	14145	15447	8955	8169	7647	13865	28244	37523	65680	71237	8604	11925	13686	30162	16357	695	13134	22532	8503	14300	10246	14579	0	23056	9057	21508	7943	11373	16850	20479	33314	12971	16351	9272	1784	20269	12765	13607	17199	9882	9156	15189	20838	6750	17193	14170	1425	10380	14496	Organosulfur	0.10526316	1.6315789	0.10526316
22	C19 H31 O2 N2 S1 Na1	375.20767	375.208	-0.09588041	375.20764	25070	21517	13840	14908	12188	14220	17718	22994	12896	13850	25829	7438	12438	0	31988	17136	8554	7652	25603	44084	54674	15198	19482	25819	17708	51329	6360	29309	20070	12864	16224	11076	16041	9264	37113	20706	19859	13925	16674	22793	15562	62988	0	0	0	9816	14460	0	10852	11860	30979	17355	12218	0	24988	15508	6238	17740	14397	19214	12396	22971	8818	18328	11718	21328	9560	15550	46915	45604	79413	15078	11408	8590	13787	10416	0	8388	27828	4984	20947	11062	12330	16218	17538	11630	11826	10648	6396	15975	13256	18854	22115	12162	11732	0	14770	13832	12613	8198	25821	25297	9498	34543	11920	16520	11120	0	14373	13668	Organosulfur	0.10526316	1.6315789	0.10526316
12	C17 H30 O7 N2	375.2126	375.21317	-0.06302165	375.21255	2960	3269	2792	2123	1371	0	0	0	0	0	0	944	0	0	0	0	0	0	1432	0	0	0	0	0	0	0	0	0	0	12215	3777	14988	0	2538	0	964	5447	1662	0	0	0	1316	0	0	0	0	0	0	4775	0	3776	3172	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11913	20404	1464	3212	2840	0	2574	0	0	0	914	0	0	1111	0	0	0	2573	0	0	1942	4808	0	0	0	2350	2672	0	0	0	0	12110	0	0	1708	0	0	0	0	Lipid	0.4117647	1.7647059	0.11764706
12	C26 H30 S1	375.2141	375.21405	-0.7113844	375.21384	2960	3269	2792	2123	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12215	3777	14988	0	2538	0	0	5447	1662	0	0	0	0	0	0	0	0	0	0	4775	0	3776	3172	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11913	20404	0	3212	2840	0	2574	0	0	0	0	0	0	0	0	0	0	1166	0	0	0	0	0	0	0	2350	2672	0	0	0	0	12110	0	0	0	0	0	0	0	Organosulfur	0.0	1.1538461	0.0
8	C26 H30 S1	375.2141	375.2149	-0.33179143	375.214	6261	4572	0	6078	3081	5280	2730	5121	3198	0	2622	5178	5202	0	7953	6689	3285	9093	5595	0	0	0	11544	12123	5101	0	3924	14637	4701	0	4830	5004	8736	4131	0	4896	5376	8730	6267	0	0	5119	0	0	0	0	0	0	7905	3183	6048	4137	3225	0	4107	0	3597	4436	0	0	4713	0	5130	2217	0	3036	0	0	0	0	0	0	3810	0	2406	3096	0	3900	13125	8658	15357	1785	3147	0	3366	0	7347	4653	5610	8256	0	21243	11952	0	3804	0	0	6732	3852	0	0	5460	4815	0	0	3665	0	0	4416	5625	Organosulfur	0.0	1.1538461	0.0
24	C22 H30 O5	375.2166	375.21695	-0.13997078	375.21655	859100	896220	829870	861809	865157	590206	526688	719455	747436	1329279	1056558	441537	892323	582812	625334	843635	737770	953137	1349839	1819769	1677891	844679	576420	761696	626920	2000771	486074	1137294	793161	747283	678896	860742	1050339	749317	1673815	911602	1061558	508154	773366	1130887	955139	619857	25125	7047	10736	696798	619325	10227	892443	614044	856960	833961	704944	11568	903636	723972	444213	891691	640240	446033	834135	736871	755166	679440	377360	872080	711413	746475	1560389	2257768	2129026	649681	671366	742712	682385	766549	6341	520897	683253	577598	518385	515141	626809	779415	790016	555810	816839	564666	760764	702928	877452	878022	940285	696679	953851	12087	877194	889593	526886	717976	755956	1074484	435463	961006	519169	719592	617649	10091	566594	844786	Lipid	0.22727273	1.3636364	0.0
12	C22 H30 O5	375.2166	375.21707	-0.19322851	375.21652	13660	15231	12486	14133	3790	4651	17243	9872	5057	5355	7628	7809	3381	3956	8330	15811	16336	3037	5062	8515	8029	10692	7701	15605	7790	6099	22107	0	8249	15267	9246	14875	9190	6906	7136	11164	10992	7984	22036	3820	8186	6162	951	1030	878	8265	8993	1005	13551	14410	12553	15626	5758	612	5504	9090	6362	19380	5448	10810	0	1856	4910	4161	7025	3041	6776	23061	0	6009	8055	4009	6793	15325	27389	12138	783	4895	12346	0	10955	6213	10386	4336	11262	7871	12949	5738	6166	25331	0	6152	19160	4556	9475	953	15979	14791	7695	12864	13927	18618	9814	8706	0	11474	6986	576	11841	4466	Lipid	0.22727273	1.3636364	0.0
26	C22 H30 O5	375.2166	375.21698	-0.14294945	375.21655	288158	281405	293909	267697	259861	191455	158307	281264	243272	345295	318702	144729	302873	182733	229495	274596	213683	319645	453616	502158	458330	530184	273211	352624	568807	478276	151872	337289	305061	275903	262248	272145	349062	228025	494063	307605	391503	202218	234283	348534	284079	208401	23661	18229	21868	339652	196554	19014	281686	217626	293882	293470	227615	16553	325665	260156	158652	347113	300109	159650	275493	227513	258686	223212	121667	275377	259120	258876	424130	591750	519520	209221	228906	271220	193693	259135	16698	193540	254979	215495	237389	221940	248168	239666	233502	191312	272216	179467	214156	207232	468279	571308	715650	243965	360049	21089	297429	311923	172949	264684	275491	363972	149164	338096	242923	241626	211786	15900	258411	255839	Lipid	0.22727273	1.3636364	0.0
0	C16 H30 O6 N4	375.22382	375.22437	-0.24273343	375.22372	3027	2725	3021	3973	0	17075	0	0	1237	1055	6570	0	0	0	0	0	1365	0	1108	0	0	0	0	1826	0	0	0	128842	2244	0	1454	0	3162	0	922	0	1550	934	2206	0	0	1938	0	0	0	0	0	0	1242	0	2721	2162	0	0	1348	396	0	2453	0	0	0	0	0	0	1755	2809	2130	2387	0	0	0	1955	0	0	0	0	0	0	0	111894	0	0	0	0	0	0	1351	1426	1622	1246	153503	57458	1851	14701	0	0	3478	3371	558	455	0	0	0	0	0	1767	515	0	0	2348	Peptide	0.375	1.875	0.25
2	C16 H30 O6 N4	375.22382	375.2245	-0.10654299	375.2238	11210	13383	12237	12246	983	40045	2894	3083	614	1516	8384	2156	1002	428	1554	1515	15743	4348	1105	0	468	1246	1052	3148	827	0	0	316690	2747	2320	1690	1623	10024	2045	523	861	7557	1683	18733	0	0	9277	0	0	0	0	201	0	3544	1563	12656	13511	1219	0	529	328	678	2986	233	0	1233	0	878	394	0	2126	1084	19855	0	430	455	1761	1217	1226	1090	714	0	1342	1342	1196193	719	0	0	0	543	1242	2259	2516	1985	3676	532054	255164	2282	86513	1206	0	14322	12577	1507	415	694	5965	2611	330	0	4008	339	0	1436	1945	Peptide	0.375	1.875	0.25
4	C16 H30 O6 N4	375.22382	375.2244	-0.13762826	375.22375	4411	4689	4424	4567	0	3681	1907	929	0	0	2930	327	0	0	1676	1998	0	0	0	0	0	877	401	2209	1239	0	1449	37709	0	0	564	0	1939	0	0	0	0	921	889	0	0	594	0	0	0	0	0	0	0	0	4680	4436	0	0	341	0	377	1511	0	0	1302	0	0	284	0	383	0	0	0	0	0	1055	0	387	0	333	0	0	1053	501813	1389	0	0	0	0	1963	1289	0	0	1741	288556	105056	2459	29054	2987	0	4619	4264	0	0	0	783	451	0	0	2184	0	0	1148	569	Peptide	0.375	1.875	0.25
12	C21 H30 O4 N2	375.22784	375.22827	-0.21337564	375.22775	3477	4941	4982	3462	1904	2664	5397	12593	0	6168	2428	4579	0	1803	5772	11927	8423	2166	3167	19624	10636	0	5105	13312	6946	5774	5247	0	9610	8066	10469	11127	13570	10746	6608	9712	7126	4176	6169	8416	3608	4096	0	0	0	4776	4588	0	10349	12713	7789	6538	1801	0	0	0	1264	9245	0	0	0	2702	0	0	2385	0	3487	10395	0	6221	4294	9544	11884	11305	8490	8175	0	6167	5235	0	5429	0	905	5036	0	1249	6496	3637	4381	21571	6782	0	16002	0	8376	0	5478	3360	0	0	0	6202	6078	5018	0	8622	0	0	5202	0	Lipid	0.1904762	1.4285715	0.0952381
24	C26 H30 O2	375.23184	375.23218	-0.24861868	375.23175	3121	4445	1961	3408	4061	1514	5323	3252	3792	0	5041	5808	0	3694	6053	12786	14971	0	5040	1985	1649	1560	5939	4652	5557	7481	6474	3688	4167	8339	3274	4622	7088	2682	0	7371	4000	4207	13481	1542	3770	2476	0	0	0	2046	2877	0	5854	5048	2715	4066	3204	0	3836	2690	2360	4774	1952	4253	8208	1027	0	2524	2241	2316	3293	21686	3915	2848	5996	2068	2902	5466	7640	6269	0	6059	7203	3829	5540	3555	3257	1380	1989	5957	9279	3250	3150	9132	2674	0	3994	2743	0	0	3376	5535	1175	4448	3427	7613	6107	5880	2548	3612	4535	0	6463	2091	Phytochemical	0.07692308	1.1538461	0.0
0	C23 H34 O2 S1	375.23523	375.23563	-0.7782885	375.23492	0	0	0	0	0	10284	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33068	0	0	0	0	1185	0	0	0	0	0	0	0	0	1465	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	69916	0	0	0	0	0	0	0	0	0	0	19246	3933	0	3563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.08695652	1.4782609	0.0
18	C23 H34 O4	375.253	375.25333	-0.25265723	375.2529	5726	7660	7773	6868	3224	5933	11364	6096	4774	2325	3006	4636	2249	6643	5712	11542	28152	3852	4849	0	2171	2615	5367	4244	5264	1901	15953	2768	6358	6498	4551	10144	7721	4946	0	6432	5668	8721	26504	3181	3609	2093	0	0	0	0	3826	0	10209	5422	7691	5652	5549	0	3102	6021	5205	11207	0	6044	6549	0	6119	3646	7058	3303	6699	29384	3039	2663	4877	3453	5097	8783	24933	7974	0	2631	9410	4458	5723	3488	6016	3261	11800	7995	22968	4388	6401	33095	7060	4459	6433	1407	0	0	8048	7393	5689	14936	17893	10692	4517	3583	1449	5829	6517	0	10817	4463	Lipid	0.17391305	1.4782609	0.0
14	C22 H34 O3 N2	375.26422	375.2647	-0.010510272	375.26422	0	0	0	0	0	0	0	1623	0	0	0	0	0	0	1850	3897	0	0	0	0	0	0	1510	0	6902	0	0	0	3897	2304	0	0	1629	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1966	0	0	0	0	0	0	0	0	2126	0	0	0	0	0	0	0	0	0	1373	0	0	0	0	0	0	0	0	0	1308	0	0	0	0	0	0	0	0	1578	0	0	20054	3042	0	9491	0	1780	0	0	0	0	0	0	1919	0	0	0	4133	0	0	1192	0	Lipid	0.13636364	1.5454545	0.09090909
24	C20 H38 O6	375.2741	375.27414	-0.20307906	375.27405	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6304	0	0	0	0	0	0	0	0	0	908	0	0	0	0	0	0	0	0	0	0	0	0	0	1058	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33722	0	0	0	0	0	0	0	0	0	0	8785	19651	0	5519	0	0	0	0	0	0	0	0	0	0	7987	0	0	0	0	0	Lipid	0.3	1.9	0.0
28	C24 H38 O3	375.28937	375.2898	-0.030013757	375.28937	8750	10862	11428	10909	8530	6650	76963	13022	8066	6264	24934	7785	6401	14693	8870	14226	20113	6482	10762	7173	6333	6640	10097	7118	17326	19749	61520	46486	16021	15970	8067	14800	11319	7825	7035	19498	11678	11969	16690	6391	9006	10996	3751	2866	7604	8949	6409	2894	10951	13222	10823	11263	11670	6666	10256	8643	10594	15653	13087	11966	17517	10509	8415	5743	19495	12503	19651	18911	14817	6033	8216	7368	6640	17310	10144	11340	6668	6435	18674	25208	8119	16558	15190	14152	14597	11224	48442	7551	10454	29680	25238	16698	10786	13135	6887	4052	12045	11980	9266	11307	21147	15610	7942	18497	21739	10112	12955	3642	13620	5175	Lipid	0.125	1.5833334	0.0
24	C24 H38 O3	375.28937	375.2897	-0.23311505	375.28928	9265	16627	10260	15858	6763	3328	107766	6273	5172	2014	13278	7444	0	23974	6404	18948	40637	2470	8101	2348	2265	2767	6221	3231	16823	17357	107608	17183	12945	13026	5511	16377	10766	7249	1400	20669	7855	13746	43593	2003	10959	9456	0	0	0	3137	8830	0	17626	12459	10678	15595	18415	0	3014	4718	9905	13633	1473	11634	18172	3419	11681	1510	27551	12828	27268	46116	6778	5245	9575	2420	5125	13669	29797	13449	0	5591	21837	18426	7601	14328	24837	30678	4304	13600	50530	6907	17787	83905	17771	12796	8693	3949	3430	0	12038	13244	9147	3020	4057	13469	6166	13670	4338	9960	5810	0	17162	2818	Lipid	0.125	1.5833334	0.0
26	C25 H42 O2	375.32574	375.3259	-0.20830029	375.32568	0	3218	3159	2827	0	0	31945	18348	0	0	5717	0	0	3513	0	12984	21676	0	0	0	0	0	0	0	6451	0	32906	10325	15610	53261	9635	11611	2507	2337	0	15753	2108	6142	23277	0	0	0	0	0	0	0	0	0	27775	23990	3650	4355	0	0	0	0	0	7939	0	0	9647	0	0	0	10334	0	3922	26963	0	0	0	0	3168	7557	20270	15139	0	0	10639	6386	0	3208	3085	2366	0	0	40775	0	4208	31595	3168	0	0	0	0	0	4349	0	0	0	0	6341	3107	0	0	2282	0	0	8143	0	Lipid	0.08	1.68	0.0
28	C25 H42 O2	375.32574	375.326	-0.15439837	375.3257	2388	1053	2470	922	0	0	17220	14133	0	0	6680	1913	0	2347	2791	4147	5927	0	0	0	0	0	0	0	5368	0	12767	8018	9319	21844	3711	8158	1740	2077	763	15061	1897	6606	5187	0	0	0	0	0	0	0	0	0	9919	10756	1272	0	0	0	0	0	1303	4040	1316	2376	6868	0	0	0	3954	0	2182	6245	5457	0	0	1172	2431	7711	5474	6694	0	1248	6107	6202	1099	2820	1427	1512	1936	2394	23285	0	2170	7278	1406	1373	0	1564	0	0	1896	0	1448	0	0	2502	2361	0	2295	970	0	0	4630	705	Lipid	0.08	1.68	0.0
20	C17 H13 O9 N1	376.0663	376.06674	-0.12232557	376.06625	7250	9475	13071	8776	15439	7515	2566	2011	15814	12247	5522	2834	26325	4927	4096	3299	2344	22221	15102	6897	18103	34511	5276	4657	3510	1659	2812	1368	1586	0	1716	0	2665	1355	18196	0	5191	5173	4452	11413	21785	7434	925	0	394	7629	16674	814	0	1628	7803	10138	9481	465	17053	12426	9082	4869	2181	3255	2875	9032	34084	17357	7616	21196	7452	2512	3222	3305	3383	1756	1206	0	1746	0	619	3295	8054	25785	7384	6243	2736	0	21345	6292	7254	7795	7763	10909	0	2066	9773	42189	37149	0	5716	6750	9288	16982	13718	5390	2505	2079	8207	0	9953	0	3767	31754	Phytochemical	0.5294118	0.7647059	0.05882353
18	C17 H13 O9 N1	376.0663	376.06674	-0.13276051	376.06625	20227	17780	13908	14344	23239	12469	5152	3031	22904	29567	15952	4407	45993	7080	4444	5377	4442	30068	24472	14310	28513	50996	7524	6856	2889	1675	3769	5418	0	1829	7145	0	7381	0	37151	0	5500	4136	7998	14307	31887	9117	1062	0	272	6702	18451	887	2972	2715	13816	11271	13871	292	32762	19522	9771	4258	4481	6142	7439	20444	50506	27442	10436	30608	10871	5926	5355	5783	9474	1832	0	0	1683	0	409	5492	15084	42616	10112	15314	2150	9717	28324	10245	11913	14135	10880	10198	6724	9897	12198	56707	58813	0	15561	11617	11853	22110	22555	8087	5561	3009	11322	12513	12733	0	4683	47728	Phytochemical	0.5294118	0.7647059	0.05882353
10	C17 H13 O9 N1	376.0663	376.06683	0.002351344	376.0663	5106	4330	4352	4567	11612	3341	926	0	14636	9666	8449	1640	23349	2295	1257	0	1873	9846	9592	3930	12600	16044	2360	0	0	0	0	0	0	0	0	1155	1754	0	17909	0	2180	1524	1400	7767	14275	2786	0	0	0	0	6828	0	0	0	4009	5216	4974	0	14795	11589	5651	1683	0	2180	0	8307	24542	16640	3915	13133	4396	2781	0	2005	4020	0	0	0	1705	961	0	1226	2527	0	2575	3809	785	1554	14395	2752	3998	5088	4249	6912	0	3174	4137	20528	14514	0	6822	3890	9144	17399	12288	2751	2274	0	0	4190	7791	0	1336	21338	Phytochemical	0.5294118	0.7647059	0.05882353
12	C17 H13 O9 N1	376.0663	376.06683	-0.03134533	376.06628	10123	13315	9559	9836	19686	7201	0	3744	25684	20555	22665	4442	31063	5550	4382	5156	3964	24007	25548	16051	29232	47996	6973	2762	1095	2656	1991	0	0	979	1774	2344	5130	0	45097	1247	5387	4181	5234	18878	41261	7716	0	0	0	5477	15550	0	2058	2369	9813	13095	10936	0	28889	23935	9718	3265	0	9221	0	16613	49463	25788	6739	26584	8230	5961	0	5716	12889	0	1981	0	2586	1167	0	2896	13063	26611	6565	7785	1839	3247	24234	10795	9925	10516	10527	14286	2687	7205	9307	56514	25983	0	16229	17766	17946	29647	20793	5545	3147	2836	0	6381	14043	0	1903	48485	Phytochemical	0.5294118	0.7647059	0.05882353
26	C17 H13 O9 N1	376.0663	376.06656	-0.15934657	376.06625	2891	3981	2465	3651	6238	5371	1507	0	6713	11064	0	0	10404	2749	0	0	0	16184	10418	0	0	9659	0	0	0	0	0	0	0	0	0	0	1969	0	6082	0	1596	2892	3306	3893	6778	0	0	0	0	0	0	0	0	0	5412	4168	4463	0	11213	0	0	2469	0	0	0	3151	16558	11764	0	7660	2349	2903	0	0	0	0	0	0	0	0	0	0	4755	8347	4272	0	0	0	6218	0	4147	4714	3695	3820	2338	2083	6133	10947	12378	0	2782	0	3627	5358	0	0	0	0	0	1931	0	0	0	23300	Phytochemical	0.5294118	0.7647059	0.05882353
16	C17 H13 O9 N1	376.0663	376.06677	-0.019897623	376.0663	15590	23216	19834	20189	28890	15060	5090	5166	33850	46524	26173	5812	65246	15281	9161	5374	9569	35560	31635	19372	40442	68860	8938	7428	3436	2768	4707	8584	3756	1580	2452	3829	9203	3801	57627	1691	11373	6655	8282	24745	49809	11038	575	0	0	11733	22625	525	4986	3967	18252	17304	19009	0	31459	29143	12686	10716	4419	10058	7101	22234	63461	33347	11228	40057	16223	7622	8772	6772	12924	1795	2684	1694	3934	1676	0	3105	19200	55406	10591	12595	3079	9097	31502	12060	16570	13693	12665	0	5611	13598	0	80884	63998	0	23675	13255	15768	35348	30069	8037	4674	8888	10672	0	19330	0	3448	56377	Phytochemical	0.5294118	0.7647059	0.05882353
22	C17 H13 O9 N1	376.0663	376.0667	-0.082014404	376.06628	5199	4464	5255	5925	10350	4268	0	0	10377	11801	2496	2555	14501	0	1706	0	0	14488	8829	3809	6161	18697	5670	1744	2790	0	1456	1290	1765	0	0	0	2891	0	7235	0	4996	2261	1266	6847	11153	4273	0	0	453	3935	11296	0	1436	0	2218	4446	8002	722	17122	7491	4236	3317	0	2527	3061	4379	17771	13795	3842	10637	3487	1913	0	0	1819	1514	0	0	1228	0	455	1672	7542	13912	6556	3582	1101	0	9036	4516	8113	5330	4561	4777	2947	3387	7752	34991	28240	0	6485	3263	5481	9840	10648	0	992	2329	6212	2449	2268	0	2800	23852	Phytochemical	0.5294118	0.7647059	0.05882353
14	C17 H13 O9 N1	376.0663	376.06683	-0.003678583	376.0663	17325	21270	16841	16708	26613	12999	2876	1647	31390	33919	20085	5392	53049	7673	4865	11198	8847	35208	32546	17436	36295	66670	12774	5975	1974	1965	3893	0	2044	1551	1830	0	7708	1824	50743	1811	8587	7725	7769	24068	59918	9551	0	0	0	11807	33742	0	5462	2079	15832	16305	17832	0	34949	25812	12699	7484	8464	12056	0	19951	60189	38124	11822	41566	9608	5815	0	7021	16868	2325	1255	0	3040	2492	0	2839	19325	35106	8733	13943	2456	9396	32431	13126	19047	16102	16258	24804	8357	10113	14539	74209	47571	0	22420	16877	20033	36836	32468	11732	5325	6513	0	10029	19955	0	3328	57976	Phytochemical	0.5294118	0.7647059	0.05882353
12	C14 H17 O11 N1	376.08743	376.08795	-8.31898E-4	376.08743	0	6712	9813	7923	18448	11733	2710	2064	31524	9304	9725	4723	44121	5192	4369	0	0	25470	28366	4830	20525	10879	12825	0	0	7072	0	0	2146	0	1269	1277	3629	0	14128	1211	1828	1599	2153	5717	17224	10565	507	0	0	5476	8025	0	0	0	7103	9664	14252	0	35633	41934	8347	1614	0	0	0	6598	61005	40429	8125	26323	11096	0	0	10281	21752	1294	0	0	1764	0	0	2429	4486	0	2943	5640	1964	5205	32045	5721	2662	10025	9635	3842	2715	7239	7506	11250	11277	0	9108	6000	21272	27630	29848	2831	2033	0	0	7195	26161	0	1434	51926	Phytochemical	0.78571427	1.2142857	0.071428575
16	C14 H17 O11 N1	376.08743	376.088	0.087179035	376.08746	0	0	1856	1958	9254	3024	0	0	8776	0	0	1739	15632	3153	0	0	1431	5520	3439	0	3509	0	3059	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3740	0	0	0	2521	0	0	0	0	0	2962	3407	0	12959	11611	3837	0	0	0	0	1967	12470	11538	3302	3851	4657	0	0	0	0	0	1591	0	0	0	0	1949	2214	0	0	1837	0	0	9749	1350	0	4978	3200	0	0	3040	0	2232	0	0	0	0	6855	7988	6432	0	1492	1706	0	0	5717	0	1196	20078	Phytochemical	0.78571427	1.2142857	0.071428575
8	C14 H17 O11 N1	376.08743	376.08795	-0.036567297	376.08743	4713	2994	0	3863	12045	3425	0	1315	15058	0	0	1506	29342	2808	1704	1538	2940	14140	18440	1636	4197	2689	4311	1233	0	0	0	0	0	800	751	1169	1948	1517	2283	1009	2602	1540	1410	0	0	7549	0	0	0	0	0	0	1132	1045	2842	3126	7527	0	18300	30006	7255	1758	0	2351	0	0	27973	22672	5931	15884	4283	1053	0	0	0	1311	970	0	1250	1144	0	0	1614	0	2715	686	0	0	19845	0	1561	7747	5415	1221	0	0	1634	4647	0	0	2857	6076	10911	20783	28200	2044	1986	0	0	1116	15190	0	0	25175	Phytochemical	0.78571427	1.2142857	0.071428575
14	C14 H17 O11 N1	376.08743	376.088	0.047673356	376.08746	0	4700	5117	2955	12625	7780	0	0	19784	0	0	3601	30321	5492	2096	0	0	19795	15823	0	6421	0	18270	0	1472	0	1036	0	0	0	0	0	0	1619	0	0	1652	1843	0	0	0	12019	0	0	210	0	0	0	0	0	2679	4010	9016	0	26898	24188	7197	0	0	0	0	0	24828	30110	5569	11548	6566	1890	0	0	0	0	0	2669	1732	0	0	1208	2321	0	3382	0	0	0	15643	3747	0	4945	7263	0	0	0	7750	0	0	0	3045	3898	11854	16680	18384	0	1540	0	0	3656	9525	0	0	26464	Phytochemical	0.78571427	1.2142857	0.071428575
10	C14 H17 O11 N1	376.08743	376.08795	-0.057448473	376.0874	5744	4266	3072	4875	25717	5904	1274	3494	21452	0	4552	3415	53371	4712	2432	3072	3776	28342	22096	0	5113	5837	5749	1703	0	0	0	0	1400	1138	980	0	3285	0	0	1328	2447	1712	1620	0	0	14153	512	0	0	0	0	0	0	1544	3966	5830	13286	0	35038	46736	8300	2139	0	2658	0	2688	44971	40240	9181	23743	9580	3203	0	0	0	0	0	0	2285	1157	0	2253	0	0	1437	1775	0	0	30762	5912	2293	8525	8582	1733	0	2866	4470	6821	0	0	3507	10830	20225	28377	36556	3868	3401	0	0	1767	22787	0	834	48723	Phytochemical	0.78571427	1.2142857	0.071428575
8	C22 H17 O3 N1 S1	376.1002	376.10074	0.1695307	376.10025	0	0	0	1393	927	0	0	0	0	1825	0	0	867	0	0	0	0	1026	0	1650	0	1458	872	0	0	845	0	0	0	0	930	0	1205	0	0	0	903	642	0	0	0	0	0	0	0	0	0	0	0	0	0	1360	1198	0	0	589	0	0	0	0	0	2611	0	0	0	0	0	0	0	0	0	0	0	0	23906	0	0	875	1337	0	0	0	0	0	1055	0	0	932	684	0	0	0	0	0	0	0	1037	0	0	1119	0	0	0	0	0	0	0	0	0	1173	Organosulfur	0.13636364	0.77272725	0.045454547
6	C18 H17 O8 N1	376.1027	376.10327	-0.10479244	376.10266	16235	16654	13250	16636	15354	6498	3179	8688	22672	38534	26144	6875	31709	6238	6738	8675	7031	18407	19164	21379	44938	31006	10197	7608	2927	9765	4270	10392	4037	3863	7039	5940	8998	5024	52985	5261	7413	6741	9278	19486	42310	7405	0	0	0	13281	34743	0	10083	6216	15960	17242	12575	0	24580	18770	7662	10486	7474	9836	8377	19546	39074	20648	6679	21657	10533	10739	25391	21683	46752	6111	4410	4222	3212	4748	0	5461	9863	14327	6076	11940	5217	7669	22022	6598	8785	9029	9533	13707	4975	9174	14717	28375	23276	0	12855	12032	15560	22386	21611	8822	5703	10581	11166	8816	14478	0	4275	32409	Phytochemical	0.44444445	0.9444444	0.055555556
10	C18 H17 O8 N1	376.1027	376.1032	-0.08282774	376.10266	65541	65807	61541	56954	56360	30225	21012	34583	65528	167768	108746	25983	102128	24361	23527	36062	27857	71764	69315	115221	153333	131047	36041	39884	15716	72967	24049	51629	25136	19635	25161	24590	38466	24607	209221	21942	36593	26411	37469	124461	171877	23848	957	0	0	61127	104218	0	32168	23665	56200	63048	38919	310	77372	52104	24064	41851	31118	44351	29555	82752	102102	70392	21471	77337	35552	41531	132841	131639	194368	27242	23516	18893	19555	21008	0	19365	48020	69485	35726	58618	17816	59504	64017	31721	41264	31153	34727	56807	26033	48101	58888	126640	132061	0	60503	62232	46961	69595	55015	37597	21689	40117	55194	33520	41224	0	24104	104185	Phytochemical	0.44444445	0.9444444	0.055555556
18	C18 H17 O8 N1	376.1027	376.10312	-0.07657429	376.10266	64220	62378	68009	63467	70277	50961	26549	24360	63469	186009	96802	21035	114384	37025	27227	35855	21597	80249	79335	124885	141193	172388	37291	40855	21865	64862	24838	68048	26376	22542	21040	25053	50480	26333	244648	15768	45732	26146	20776	134186	125761	34216	2749	376	733	81181	94236	822	33260	15160	68946	66407	56577	852	77676	59944	36552	40992	30373	25362	34927	86370	120399	63825	32022	86444	44956	22564	85047	102041	120379	24419	16416	10403	14752	19637	492	20461	52936	113805	34451	77038	30478	78618	66017	44523	47310	43694	43461	35808	62190	74592	61582	138713	191758	820	64625	66698	49567	69389	66132	43968	20525	34718	51959	36058	48366	757	25237	103588	Phytochemical	0.44444445	0.9444444	0.055555556
12	C18 H17 O8 N1	376.1027	376.1032	-0.08954615	376.10266	86782	86281	83427	81390	81619	49793	29817	42781	95897	267064	165624	32582	125903	35339	34780	46145	50666	100020	105932	187279	231656	229839	53126	58096	25277	116962	29573	95089	32019	26743	37552	36673	60324	29874	372375	31326	54539	40292	44156	194647	270973	41373	880	0	0	104309	162377	0	42915	37145	89752	89841	58390	397	117567	76622	41626	53947	54849	62470	41392	158394	154502	107326	28503	102090	51105	62818	232889	193499	298588	31629	29886	24582	29079	37434	345	29231	68310	159201	46097	94326	38060	90344	87252	40295	60497	45014	47197	104737	64918	82032	90951	208391	201748	508	104041	92289	74754	85299	66894	56337	29132	54994	95211	47968	60703	0	38397	156184	Phytochemical	0.44444445	0.9444444	0.055555556
16	C18 H17 O8 N1	376.1027	376.10315	-0.07631228	376.10266	89579	97819	95678	89938	94674	62689	40804	36901	114496	330042	154207	32967	159797	51487	45284	59228	39223	130339	132979	182050	244499	228122	59169	70778	46143	115861	37753	103774	28779	27273	38991	39689	64742	32919	377487	34242	76636	35968	48649	216341	205505	46282	3260	0	586	121850	145148	763	47824	37712	104008	96790	75167	923	117020	78235	48137	66647	60894	45322	68432	146354	169108	100705	35967	128246	54939	40421	156534	196909	220883	30873	29221	20225	32317	27481	555	28147	72686	155496	53624	95292	34759	112981	108342	56675	78508	62931	66819	75862	79788	107683	101403	200152	273105	831	100731	100743	75566	88911	84600	61763	25453	53652	90992	59237	74255	539	48112	168947	Phytochemical	0.44444445	0.9444444	0.055555556
22	C18 H17 O8 N1	376.1027	376.1031	-0.11481375	376.10266	12991	14906	12643	14533	13173	12117	4803	4726	14687	43992	15402	6423	18366	9420	5707	6255	4569	16958	20540	11454	28205	40832	10073	10036	6590	6914	2643	11768	6465	3095	3349	0	9073	5033	39092	3611	9421	7835	4607	22417	21835	6091	0	0	817	19302	23355	0	5223	1772	13573	11209	15422	722	17085	13950	7281	7362	4481	5300	7276	20495	28006	20375	10022	18634	10986	3958	14852	14839	22264	5447	2320	0	3156	4279	666	4482	12485	29781	7638	16524	5136	13604	16036	11891	8823	8586	10351	7393	11281	15262	15977	40809	48746	0	10635	14950	8833	16301	16221	7738	3960	5423	15242	9218	8359	0	6678	32768	Phytochemical	0.44444445	0.9444444	0.055555556
20	C18 H17 O8 N1	376.1027	376.1031	-0.13158117	376.10263	34811	34037	42076	29764	37208	27764	15813	11723	40442	103851	43100	9627	55755	21978	15776	17608	11073	44770	55404	47216	72377	87246	17738	17695	17928	27419	9004	29990	12830	8269	7297	7340	22029	6658	118747	8753	24151	12474	8107	77246	51763	21425	2799	1039	722	40389	63484	921	11710	8254	36476	35110	31248	1027	49488	32663	18437	15327	14531	12804	18212	48882	56977	40098	14559	43794	23030	9378	36330	44441	49554	9370	8310	4650	8219	8491	871	11773	22885	63966	19329	32142	12576	34302	39426	18549	23730	20406	23551	21290	27453	40491	35672	93499	107187	492	33305	30203	27790	34834	28511	17558	8565	21471	38031	20558	28380	924	13535	62566	Phytochemical	0.44444445	0.9444444	0.055555556
24	C18 H17 O8 N1	376.1027	376.10303	-0.15692028	376.10263	4976	6629	3305	5919	4612	6228	1648	2368	6499	20538	8299	2959	12841	4964	2598	3603	3314	7406	7119	2461	11352	17910	6360	3389	0	2635	0	3520	0	1985	2112	1708	2845	1009	17864	1976	2335	2686	3971	10293	8989	4143	0	0	0	8844	10454	0	3335	2231	5506	4874	5717	0	8564	6311	4597	3857	2531	2282	2285	9787	13379	9158	2044	7824	2416	2780	6404	4584	8020	1855	991	0	2226	1104	0	2993	5304	12859	4519	3454	1978	3333	9896	0	6978	2861	3737	4636	4334	4544	5850	19816	26587	0	4268	5998	2822	3955	6408	3981	2038	3160	7611	5068	3888	0	4499	12489	Phytochemical	0.44444445	0.9444444	0.055555556
8	C18 H17 O8 N1	376.1027	376.10324	-0.091322504	376.10266	33471	42055	27474	32829	30226	16512	9843	16226	43287	93500	67451	12862	61700	12727	13217	22375	17346	35599	41391	58858	91102	68869	20023	23054	6579	28914	8655	33457	11036	13349	12823	16099	20156	13712	118291	11573	16303	13933	25092	62426	102772	17064	0	0	0	38973	78829	0	17475	14120	32353	36460	28083	0	52855	37666	18259	21177	16858	26582	16095	47756	68344	47500	15717	44237	17640	21635	79116	58810	112857	15363	12036	9777	10712	15149	0	10674	25561	34635	17985	26485	11305	23379	36245	15829	20277	15764	17885	37531	16216	25889	30546	64075	62142	0	36072	38048	32248	43972	39081	21530	13799	26133	24550	20434	30231	0	11642	62590	Phytochemical	0.44444445	0.9444444	0.055555556
12	C15 H21 O8 N1 S1	376.10608	376.10657	-0.13169974	376.10602	8704	6553	6832	6756	6497	5748	7231	6180	7442	12173	6589	3989	11342	2991	6280	17958	3701	12228	9317	10815	7430	25567	7331	25327	6223	4504	5195	0	6337	5107	4498	4480	7576	3959	15957	3963	6805	4985	4301	10785	9182	7161	0	0	0	9890	8557	0	7095	4462	8431	7492	8549	0	7623	7653	4615	14012	11398	0	0	10500	5062	6304	4220	8544	5754	6317	0	4070	5851	3963	2869	2796	7298	5308	0	5645	12199	0	6002	8840	8885	5507	6620	4791	12668	6558	8287	15078	17818	27110	20212	10016	15885	0	8714	11146	6292	4192	5027	10626	3645	17900	0	13208	7070	0	9754	12212	Organosulfur	0.53333336	1.4	0.06666667
8	C17 H17 O7 N3	376.11392	376.1145	-0.109838836	376.1139	0	34059	24235	0	0	13808	12410	17745	26304	40413	0	0	36006	10520	0	29361	0	26756	38241	38654	45794	0	0	36708	13338	9712	12301	13187	18243	14617	17664	21920	27073	19297	0	16506	0	17521	0	52397	62682	15550	0	0	0	32153	43675	0	24051	20921	32279	0	17039	0	33639	0	14414	26924	22336	24425	32145	33737	42008	25207	17587	0	19291	0	22154	26909	38804	16078	17079	14202	16433	14720	0	15098	0	15585	21195	23408	13618	19908	27797	13623	26661	0	20539	0	15798	31717	62313	42557	0	0	31164	26117	19866	27254	0	0	0	30267	21927	0	21002	0	15913	0	Peptide	0.4117647	1.0	0.1764706
6	C17 H17 O7 N3	376.11392	376.1145	-0.105736084	376.1139	19196	25490	20471	22187	16252	11190	11394	18620	0	29112	21050	15716	0	7688	12241	22538	24052	22805	23449	22029	38826	35362	18912	25444	9190	6695	9602	10495	14423	12423	15468	16419	22977	14655	39783	14740	21601	12762	31781	27906	38949	11838	0	0	0	22665	37499	0	23043	16489	24779	20983	0	0	24848	16195	9593	22665	11707	21122	22130	22359	33008	19893	10697	19864	13505	31309	15292	15844	26591	13408	14877	12055	10072	13717	0	10153	19173	8450	13411	14938	9551	11729	41172	11865	17476	15176	0	39958	9084	18985	38088	26732	27434	0	21106	20391	10856	18809	18113	23768	12623	22444	11964	26945	0	0	11386	33170	Peptide	0.4117647	1.0	0.1764706
12	C17 H17 O7 N3	376.11392	376.1144	-0.10078543	376.1139	230898	259508	379198	371251	594429	410436	195688	360416	956516	539830	504443	217703	1103700	219402	253586	246429	453394	1205943	1125541	650458	995407	574334	485670	241802	127793	266209	114877	164069	263054	196081	282276	218561	306942	219876	861497	192460	261819	177006	292417	373032	665271	474896	13645	2307	1713	362522	587273	1632	187361	279267	328086	282377	499608	1035	1756499	799623	350207	192257	324206	342364	172513	470121	1184625	1107451	253150	656744	397862	293409	487126	447912	604648	198060	216120	225035	208722	186790	744	268647	268794	364195	287371	225391	149480	161480	724224	388394	306325	305497	407457	366158	122896	298118	353852	587391	279809	2868	281940	531935	647390	522886	620712	431757	253693	292497	299109	269791	692471	1917	165165	1286097	Peptide	0.4117647	1.0	0.1764706
10	C17 H17 O7 N3	376.11392	376.11444	-0.11008609	376.1139	0	0	0	22780	0	0	16645	22986	25879	45519	25493	0	72602	13044	0	26884	29204	29743	36576	32869	44127	0	20287	0	15766	11399	17429	15310	0	16304	17650	19034	0	14361	45806	17626	0	0	0	49561	57420	15965	0	0	0	25630	38517	0	22746	0	0	32414	0	0	28557	17162	12846	31373	24191	28492	28198	33879	40754	0	0	25929	0	36328	23133	26559	39965	22466	14468	13323	19512	15532	0	0	28113	22049	23680	0	15005	17302	24696	16617	0	21981	23870	0	25405	38988	0	39934	0	0	31688	33257	18408	18645	20094	0	0	26962	16598	0	19310	0	25015	40712	Peptide	0.4117647	1.0	0.1764706
0	C19 H21 O5 N1 S1	376.1213	376.12183	0.30655673	376.12143	0	3764	3250	2107	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2692	0	0	0	0	0	0	0	0	1385	27236	0	0	0	0	0	0	0	2719	0	0	0	0	0	0	1962	0	2682	1909	0	0	0	0	0	0	0	0	2682	0	0	0	0	0	0	0	0	0	0	25356	8046	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31911	0	0	2166	0	0	0	0	0	0	2639	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2631579	1.1052631	0.05263158
12	C15 H21 O10 N1	376.1238	376.1243	-0.14152381	376.12378	76966	74038	90228	90893	171651	117457	43462	94306	288440	142402	127465	63123	367900	62254	84233	54133	126602	370027	335753	183316	277609	127096	132590	54858	35463	52978	29947	44873	76874	58553	72326	49651	102314	53026	209958	63780	87273	59002	69859	100888	165277	142444	4003	769	571	83466	148489	544	50699	71129	92330	76317	144128	345	551565	258559	99019	47183	82026	96940	43291	136689	374883	358161	76764	200986	113078	65387	147816	90884	149471	56632	55198	65785	61542	42048	248	79997	72098	102221	66829	58803	31028	44016	227828	110394	68407	83353	113499	69296	29478	69250	89918	151629	72795	956	93980	142309	188422	151586	185036	117567	68087	72039	99703	79167	207989	639	32605	411637	Unclassified	0.6666667	1.4	0.06666667
18	C15 H21 O10 N1	376.1238	376.12424	-0.09102528	376.12378	20764	20941	13868	19021	33557	23451	7552	18537	33678	11536	20104	24295	55462	11719	19856	11692	23006	45580	41882	17069	24884	15357	30316	19702	4680	4597	7923	7993	16876	12323	13691	12731	20145	15250	6679	12005	16464	14289	15210	15788	26632	27907	1857	746	838	13994	26820	1132	14155	22732	16896	19388	23409	753	63721	36540	19611	12868	13368	19132	17683	28445	43742	50066	18845	26179	20145	14368	31932	8887	23857	13431	14452	22778	20215	13416	709	19044	16144	19560	15941	16214	5784	5836	41576	18995	10993	23144	22004	10078	6751	13735	20979	14986	10464	939	18891	20173	31578	26348	26529	24466	17466	18925	14778	14083	30596	812	4737	48478	Unclassified	0.6666667	1.4	0.06666667
10	C15 H21 O10 N1	376.1238	376.12433	-0.15697081	376.12375	102334	91667	91284	81124	134355	98226	38629	76111	212156	117056	117723	68910	356593	57495	65817	71075	85748	269231	251313	148329	217184	113813	102009	83388	29255	46290	28384	48540	57523	58850	53140	50238	92845	52001	145201	75623	89792	55456	72708	78820	115929	116064	3948	0	412	68913	79896	0	55513	65079	93096	94963	114419	434	391683	225476	76060	51723	66982	69586	83253	80996	255832	284535	71402	168545	93216	71944	97724	44677	118132	48324	43615	55810	69322	46481	0	53648	58331	75590	47588	43175	28880	26903	213930	87047	58815	86203	88086	62422	25785	55331	81892	110300	116596	652	104616	128604	140224	145575	189475	112618	59640	71330	70204	61702	182838	0	27144	293755	Unclassified	0.6666667	1.4	0.06666667
8	C15 H21 O10 N1	376.1238	376.12436	-0.12791699	376.12378	59709	52532	40918	55917	70213	44154	16300	35995	90720	68081	65087	36658	178298	24813	37270	46639	56093	116504	124639	70421	97843	67749	54505	46141	9700	15144	21829	25221	34721	33938	28103	33133	41477	26769	76132	32901	45004	28063	44121	43637	61940	64862	2163	0	0	37574	71001	0	32002	33593	52293	54767	50435	396	160470	125885	49921	25326	31113	41682	44102	50689	139927	132183	44412	83589	46935	41337	47555	25250	53605	27957	24991	33293	37181	29066	0	31528	40300	38868	30939	20793	15974	16441	114169	43956	31368	54821	55185	41972	35182	45982	45896	62017	65935	406	56375	74362	75384	95486	121836	59308	25878	41183	25447	34426	96985	0	15574	139583	Unclassified	0.6666667	1.4	0.06666667
14	C15 H21 O10 N1	376.1238	376.1243	-0.12986843	376.12378	80249	68012	64364	78693	138615	116931	27738	64212	233733	66608	89105	60131	361250	65559	83863	63998	92789	297876	249541	101061	193910	87616	109317	46074	23195	14177	24373	28540	62354	58717	40975	46239	99202	42221	123454	54888	63714	60833	59574	55843	84943	124080	4034	718	718	54001	103566	836	35865	59855	59247	64969	110784	915	437798	203635	75651	41746	71991	63311	82059	109375	271534	275655	72329	154270	95350	51622	127652	36422	74878	44499	41126	63058	67735	42352	387	61651	66796	87794	51008	50783	24140	13037	188404	94063	46081	78321	96785	43038	20289	39675	67784	93505	69516	1324	78100	110849	129786	122517	154503	115372	49116	63147	72688	44202	166196	577	24176	281105	Unclassified	0.6666667	1.4	0.06666667
6	C19 H21 O7 N1	376.13907	376.13968	-0.13212094	376.13904	59181	60714	54809	61381	42868	28671	21941	41775	53398	174433	81345	23613	73086	24811	31724	50361	33242	54623	65787	132969	385306	91341	36089	48741	20902	84093	21920	63874	31358	35917	33082	34632	51437	31486	195248	31625	40738	29651	45585	87934	284132	27891	855	0	387	73367	112324	265	46268	33838	58749	59900	34209	296	64258	40452	21220	44214	25722	41940	42800	75168	73381	51339	18814	50711	36741	49643	127235	157384	231450	30450	28864	29940	20468	29739	218	24049	34668	43691	32354	47128	26562	49516	43830	28454	36485	30180	33516	59187	35050	46543	63696	74192	97183	439	57452	57169	34682	40537	40996	44422	24802	46907	44953	35593	38986	0	22209	75139	Phytochemical	0.36842105	1.1052631	0.05263158
14	C19 H21 O7 N1	376.13907	376.13956	-0.08226891	376.13904	222197	220416	189245	212512	133307	107022	110612	167242	155889	509023	317942	94605	198646	86808	115076	177398	141872	178051	176868	472062	563184	397885	121964	179838	111557	455382	100847	256948	127755	133233	123913	167467	187112	126259	681861	132417	173712	114402	146874	449967	413451	110224	4068	671	820	259552	281562	600	157173	134488	205790	202405	119203	1177	176054	106935	80794	181683	169354	147625	175515	297049	200064	149432	67417	161592	112732	130724	510313	732719	658614	132927	131640	119456	111738	133076	624	108184	150096	235261	119126	200361	134814	259033	130116	88688	141567	116411	118654	201587	218929	223724	252396	247564	356123	1860	216230	212485	104719	110142	101092	147969	98160	210397	183058	153717	93864	605	123440	190867	Phytochemical	0.36842105	1.1052631	0.05263158
4	C19 H21 O7 N1	376.13907	376.1397	-0.1430127	376.13904	21068	21676	19730	18482	15929	15633	7055	15479	21471	45306	32229	10178	32854	14389	11544	14390	14813	23239	23891	39205	55423	32207	15575	16995	7239	35180	7139	19252	9163	10824	10750	9081	14678	9577	63338	9937	14658	9420	19040	31854	46377	12616	0	257	334	29707	43871	0	14078	13638	21460	17200	13590	0	25288	17674	8395	13682	9971	16475	12654	26280	27969	23211	8646	19596	11366	15884	53266	45157	71562	9241	8232	11143	6576	8542	267	8204	13350	22744	13289	19253	9936	16270	21993	11144	13472	10907	9791	19677	12803	17062	20514	28238	38683	907	20069	23384	19801	22599	22058	14669	7977	18461	23374	11178	15768	0	8631	28514	Phytochemical	0.36842105	1.1052631	0.05263158
24	C19 H21 O7 N1	376.13907	376.13947	-0.11015735	376.13904	11661	11886	9476	11702	10541	7635	3077	7194	7038	30000	15873	4572	12315	6493	5079	7666	6396	9980	12147	15798	23086	21483	10297	12014	6601	15672	1596	12704	4972	6530	6274	4932	9867	6103	22971	3330	9319	4549	5509	18153	21684	5864	0	0	0	13956	17110	0	9640	5102	10963	8611	9400	0	10455	5853	4681	8989	4856	5268	6716	13763	15729	9752	5433	11220	5040	5790	20645	20247	30519	7979	4015	5174	6227	3515	0	5963	7387	13854	6949	10729	4055	6818	10615	4988	5556	6757	6379	8023	6801	8124	10842	13859	27678	0	11142	10640	5881	7466	8988	5765	4735	5700	10287	7974	5785	0	3633	15740	Phytochemical	0.36842105	1.1052631	0.05263158
18	C19 H21 O7 N1	376.13907	376.1395	-0.10794892	376.13904	172499	169598	158704	157590	122579	96522	71731	114108	106877	513574	251523	63698	159310	73410	80474	122186	76229	179682	201400	388194	399793	268946	94907	130207	91156	325625	66749	242343	105698	83292	98313	112674	155090	91381	511666	100733	158624	71722	77458	363947	290315	92980	5120	907	919	205626	180800	1142	116477	87066	166245	161071	112263	1637	143122	97516	69914	132196	98776	79280	126978	230604	167593	114048	61772	141256	117204	86419	318505	451949	447202	96674	74132	77094	76323	98195	1013	64786	109136	169768	84060	150403	93652	216835	110282	84037	102140	101549	99067	107289	191686	202991	194538	205970	326615	2145	171789	168798	94576	93056	91429	138441	61910	134656	117923	112314	85966	972	84187	175267	Phytochemical	0.36842105	1.1052631	0.05263158
10	C19 H21 O7 N1	376.13907	376.1396	-0.11760829	376.13904	143674	129764	130787	122732	79340	73454	69872	103068	98565	356293	171119	70420	115012	56434	66122	111988	75557	115088	117948	320985	368050	224054	78028	120818	56394	269330	63703	144569	83309	80441	77467	88806	116779	81597	413918	88381	108394	65665	105795	271513	298163	54653	1737	0	488	172107	188892	0	99656	88377	140908	138026	66019	436	115225	68951	43088	107840	87654	99490	112270	169631	117567	101981	42297	98236	62318	103049	316440	442253	454901	92107	81912	78866	68213	84721	0	69706	88097	106616	80205	109708	77565	132980	78787	46000	82651	61588	60397	131754	102810	123365	147464	154080	227624	903	129909	134034	75512	66986	61274	103651	64323	123014	107545	89085	58093	677	72981	131848	Phytochemical	0.36842105	1.1052631	0.05263158
2	C19 H21 O7 N1	376.13907	376.1397	-0.17221278	376.139	7495	7000	6678	7212	10358	0	6059	7069	10254	13150	11739	5948	12352	4692	5743	2480	7971	9498	11300	9729	22302	10608	7290	5680	2656	8787	2418	9505	5366	3648	6629	5488	7946	5610	18672	4117	6282	5212	9874	10955	16001	5353	278	0	364	6454	14633	0	4727	4221	6825	6974	7353	0	12046	7498	5079	5291	3385	6343	3500	8045	12389	10694	4077	10944	7123	10374	14672	14046	22920	4953	5265	4219	2307	5222	0	4908	7468	6171	6106	7415	4229	5460	10650	5853	6605	6480	6099	11330	3905	5588	10660	12110	6218	454	6757	8909	10294	8902	8850	4759	5261	6204	8275	7072	7027	0	5003	12216	Phytochemical	0.36842105	1.1052631	0.05263158
8	C19 H21 O7 N1	376.13907	376.13962	-0.12033867	376.13904	103297	104695	82703	94009	59637	46464	37570	62903	75694	257483	129680	44048	99133	34805	44879	76530	49068	81408	100168	233445	280872	161562	50609	80731	36809	149943	36248	89472	51769	53084	52579	61026	67350	57366	329412	56541	72792	41714	62481	196790	438034	41986	1049	0	363	125697	148993	422	70676	60919	97886	106911	50002	244	99460	54800	32974	68460	46033	75338	73365	126970	96258	76866	31805	82024	49490	70529	199647	271628	357246	59550	55148	43482	38449	53024	319	40418	65926	68464	53034	73910	45737	95570	59251	36538	57731	44071	47820	89001	81396	97693	116305	116740	166306	648	93710	93029	57743	64875	54605	69365	42206	83091	57636	61340	52895	0	46093	101880	Phytochemical	0.36842105	1.1052631	0.05263158
12	C19 H21 O7 N1	376.13907	376.1396	-0.1092156	376.13904	172051	195100	188704	162429	101085	82574	114659	145691	127649	427445	249778	88016	129918	62693	108252	129455	128485	141756	168928	412574	488708	325534	113627	157675	92660	369093	77920	222543	125287	103789	126953	118297	167500	113121	585065	123267	146693	94506	142586	381106	422821	78944	3027	399	559	255636	255402	505	139597	127369	185324	177972	100856	611	147953	86443	62031	163990	166080	140913	145634	255107	172503	115264	55912	137517	90201	144229	440389	601394	629025	122995	113169	100117	99515	113286	381	96133	131642	212427	110412	181400	125090	207786	107330	68429	126146	72378	93575	208712	157844	192975	216242	217187	252454	1186	191904	189613	96989	82519	77844	135149	85853	165453	149126	137177	84474	654	103870	187166	Phytochemical	0.36842105	1.1052631	0.05263158
20	C16 H25 O7 N1 S1	376.14246	376.14282	-0.17698063	376.1424	5523	4927	5869	3577	3565	4335	4804	6117	3226	7780	2059	3723	4607	3953	4789	5667	7567	7505	6872	5975	4232	9491	2935	6642	6501	4788	4958	3054	8625	4268	3817	6133	4812	6436	3085	6567	7793	2538	4181	6861	2636	6822	0	0	0	3988	3659	0	6890	4962	6354	4191	8001	0	3350	3190	2535	8337	5720	6258	6960	2518	1572	0	3203	4552	3747	4689	3337	3966	2046	3040	7754	6698	9481	7999	0	5457	3989	2309	2143	4135	6401	0	1728	3947	6465	4922	3157	41124	8140	11598	8567	2719	7407	0	3924	5676	1712	1206	0	6763	3669	8826	3974	5184	5375	0	7780	6269	Organosulfur	0.4375	1.5625	0.0625
24	C16 H25 O7 N1 S1	376.14246	376.14273	-0.14752878	376.1424	1434	1584	2162	1594	6828	5030	0	4334	2224	0	0	6158	5120	26494	0	5191	2815	5776	3405	0	0	0	1599	8562	1516	0	2071	0	2778	4062	4456	9596	2103	1020	0	6198	1626	2157	1500	0	0	3851	0	0	0	0	0	0	4572	0	2804	1306	8171	0	0	1275	2348	4219	0	0	5382	0	0	1421	2971	2287	4780	4059	0	0	0	1750	2092	3346	6417	4139	0	4878	0	0	0	0	955	0	0	0	1307	1270	1401	5976	0	1795	3331	0	0	0	1435	2145	2211	0	0	3713	3478	2212	0	3886	5369	0	1531	2622	Organosulfur	0.4375	1.5625	0.0625
18	C16 H25 O7 N1 S1	376.14246	376.14282	-0.25510952	376.14236	9431	9088	8046	5288	6661	5270	3517	7964	2912	9898	4196	4949	6556	3592	4424	7964	8207	10021	8075	8224	8948	11020	6670	9751	7219	6254	4433	4179	0	3664	3153	7170	7841	0	9860	5296	5629	3942	6994	9507	5185	7719	0	0	0	11599	3604	0	6526	5823	7721	8460	6065	0	5856	5335	2912	4981	9732	4239	6947	8350	3067	5402	2487	3644	3483	5087	6079	5886	5873	0	6050	2959	6522	0	0	3369	4602	8773	3731	3936	8500	5315	3484	4616	5874	3284	5458	17323	15421	25099	13738	3983	12986	0	5895	6546	2812	3599	4222	7920	3389	7790	4419	5293	5109	0	5886	5255	Organosulfur	0.4375	1.5625	0.0625
14	C18 H21 O6 N3	376.1503	376.15085	-0.18011373	376.15024	34100	0	0	0	21239	20761	35068	37739	17686	27464	18224	23663	20328	15257	35393	40764	40320	23930	24369	32808	32744	57308	40289	51871	39799	19812	34785	22057	36520	28763	0	34549	0	34842	37623	35026	0	30254	0	40757	36244	22321	0	0	0	34047	35125	0	40228	30580	0	29764	23033	0	26824	8704	14281	0	39759	25736	56959	24488	16285	17036	16093	26510	26526	49283	0	31688	24754	0	25850	23810	0	27971	0	26873	37710	41795	34721	0	29497	23820	15877	13738	0	29656	26709	0	53842	49613	0	25058	0	0	0	32095	10630	13595	10682	39907	26801	0	0	46470	17850	0	41609	24435	Peptide	0.33333334	1.1666666	0.16666667
4	C18 H21 O6 N3	376.1503	376.1509	-0.15623423	376.15024	22765	25761	23922	22036	10517	12654	15306	26761	13424	21829	16912	0	16926	7737	0	24001	34157	18083	0	24383	31721	37186	23594	0	15733	11114	18251	10702	16656	17226	19365	19575	24261	16079	33569	19883	23649	17935	46021	31610	39766	13630	0	0	0	28575	41593	0	24866	25404	24340	20596	12850	0	0	11161	9725	0	18631	28944	27394	21042	15201	0	12364	16710	13197	38167	17431	16756	23934	21169	17457	0	12269	18005	0	0	22873	22002	21490	19795	16790	15920	0	12079	22493	16717	15967	48687	31211	29177	51597	19253	23582	0	19672	25667	13354	14689	11959	0	14889	34270	19672	25278	13591	0	18907	0	Peptide	0.33333334	1.1666666	0.16666667
12	C18 H21 O6 N3	376.1503	376.151	-0.06660319	376.1503	42525	54453	56268	48083	26959	25753	46700	67536	27323	43457	25574	0	24121	15582	50918	0	65412	32216	51556	56258	54701	78854	53294	69516	0	17586	39160	33573	0	42964	56962	53386	0	0	0	49381	0	42132	0	0	68655	30114	561	0	0	0	59660	0	0	47922	0	52641	32191	0	29601	13601	0	61890	47757	53708	64613	43976	25951	27885	0	36601	0	80823	21210	41759	43940	0	0	42286	0	41044	0	40255	0	34137	0	0	46508	0	20115	25342	0	0	37573	0	0	0	0	48605	49096	0	59427	0	22769	17066	16732	0	0	60591	24640	71712	18608	0	57135	31274	Peptide	0.33333334	1.1666666	0.16666667
2	C18 H21 O6 N3	376.1503	376.15097	-0.1828004	376.15024	13126	16167	9418	11416	10112	0	11526	13310	10693	10838	10864	12847	12449	5641	11435	4339	21292	13639	13777	11791	21592	19103	13795	13507	6859	4120	2425	7395	13906	8820	16463	12322	0	0	18579	11507	15592	10864	23188	13592	23129	9781	0	0	0	8929	16545	0	11406	8914	12023	11633	9683	0	14286	6703	7364	16118	8792	14299	5814	10103	12989	11886	6522	14238	10361	25276	7067	9597	13912	12240	12573	10247	2873	10430	0	10181	16872	11117	13223	9830	8664	7067	7932	7703	15835	12897	10080	43473	13533	14883	32405	14832	4573	0	14574	11823	7773	9066	8206	11504	10886	12616	10282	17960	7981	0	12350	13463	Peptide	0.33333334	1.1666666	0.16666667
20	C16 H25 O9 N1	376.16022	376.16058	-0.17591389	376.16016	17853	20139	22321	14046	16972	15260	12711	29105	29452	22724	12572	16325	47349	8849	23643	15252	18406	31451	33998	20467	28113	14205	24648	29317	7602	8546	11138	5031	27188	27389	19702	16032	22787	19597	21212	17097	32400	18156	12157	17761	19174	18239	1715	1064	789	14688	14897	578	21507	22657	20788	19988	21689	1146	41790	23181	12356	19408	14275	12421	24258	18638	29329	35572	9232	23269	19670	14800	13859	12574	18873	26850	19516	23333	20934	22366	898	20299	21404	10785	21283	8711	12761	9674	36429	14335	16770	16015	19003	13769	13415	19481	15845	14248	10091	831	23442	23347	17651	21828	23449	24095	19090	24491	13506	19375	22743	1028	12849	37703	Lipid	0.5625	1.5625	0.0625
6	C15 H25 O8 N3	376.17145	376.17206	0.001398154	376.17145	21091	21148	18401	20656	3798	4599	4345	9724	3308	9470	33915	4665	5160	0	8089	10312	8886	5383	6331	0	0	8611	5522	5632	3241	0	3473	268360	8775	7723	5603	10351	9750	10828	3870	7280	7650	5403	9601	0	0	5051	0	0	0	2526	1446	0	9884	7137	19148	16925	3308	0	4480	1847	2968	17369	1844	1858	7079	0	3041	1941	2314	6924	6278	8723	0	0	0	7463	9046	6661	4480	5886	0	3882	4091	232912	4047	1393	897	0	2863	2709	4952	7584	5929	10307	1162186	466138	9726	60185	18734	0	18007	16597	2150	1605	2182	8058	3223	1768	0	9211	2622	0	3493	5902	Peptide	0.53333336	1.6666666	0.2
14	C15 H25 O8 N3	376.17145	376.17188	-0.035373006	376.17142	0	0	0	0	0	0	0	0	0	0	15030	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4042	0	423770	0	0	0	0	1631	0	0	0	0	0	0	0	0	0	0	0	748	0	0	1056	0	0	0	0	0	0	0	0	1504	0	0	0	0	0	0	0	0	0	0	1323	0	0	0	0	0	0	0	0	856	0	0	0	0	0	0	0	0	0	0	0	0	0	21424	6210	0	0	0	0	0	0	0	0	0	0	0	0	0	1637	1376	0	0	0	Peptide	0.53333336	1.6666666	0.2
2	C15 H25 O8 N3	376.17145	376.17212	-0.10969525	376.1714	20798	28195	19758	20133	8152	26102	4548	13235	6957	12315	93354	7364	24576	4335	5709	2401	8621	10069	8337	1391	2055	12213	7259	7817	3667	0	0	361027	14775	6697	11005	12080	18674	12959	4255	10183	14283	4779	7929	900	926	12654	0	0	0	2689	1356	0	12560	6753	21533	20297	10799	0	6091	4681	3042	14510	1774	996	2893	0	10405	6112	3472	24047	9067	11924	0	862	461	16172	14238	7752	0	7637	0	5300	7265	247240	4040	0	1546	0	4666	4121	8721	11615	12090	8764	828887	361774	15698	105158	2573	0	19738	19351	4383	8132	7065	10290	8230	2617	513	14417	4699	0	5114	16305	Peptide	0.53333336	1.6666666	0.2
8	C15 H25 O8 N3	376.17145	376.17203	0.04852783	376.17145	10940	8077	9008	10369	1256	1541	2102	0	1040	8727	13987	1489	850	0	2118	2521	0	2041	1339	0	0	6372	1797	1930	2185	534	1127	93014	2847	1854	3130	2364	2096	3045	2361	2179	2039	2210	0	0	0	1049	0	0	0	0	0	0	2634	1216	9948	8772	1355	244	1848	773	934	1960	0	929	0	0	1553	0	0	1070	1374	3237	0	0	0	3955	2313	1512	2169	3319	0	1844	2011	49153	1536	750	0	0	1273	0	1933	1342	1402	2879	678641	332164	5052	20870	15350	0	10411	8853	0	0	0	3308	1663	0	0	3287	0	0	2128	0	Peptide	0.53333336	1.6666666	0.2
4	C15 H25 O8 N3	376.17145	376.17206	-0.074591324	376.17142	17104	19884	18475	17858	2821	5045	2227	7252	3146	10987	67322	2511	4510	3292	3785	6516	7040	5294	4428	1042	820	8049	3673	6668	1980	0	2192	230773	9005	5343	4858	8919	9412	9603	3073	8211	7881	3795	9823	0	0	4039	0	0	0	1950	0	0	9596	6608	20853	18132	4597	0	3510	2744	2070	6117	1256	1086	8831	0	4431	2863	2739	5687	4912	6890	0	0	0	7344	7930	7051	3182	7065	0	3812	3465	365716	2608	956	1010	0	3613	2013	3672	5716	8385	7738	1286007	458308	9497	88847	23169	0	18596	20377	2138	2807	3438	7855	2898	2299	0	6763	3818	0	2241	5176	Peptide	0.53333336	1.6666666	0.2
10	C15 H25 O8 N3	376.17145	376.17197	-0.007527859	376.17145	3634	3211	2473	2444	0	0	0	0	873	1961	2715	953	0	0	1718	2282	1106	0	0	0	0	2331	1065	1448	1309	0	2785	64376	0	0	0	0	3006	0	1679	1409	1547	1170	4148	0	0	0	0	0	0	0	0	0	2494	0	4177	4526	1209	0	0	0	607	2528	0	0	0	0	0	0	0	1363	0	0	0	0	1846	0	0	2503	2400	954	0	0	1660	8637	1278	0	0	0	0	0	0	1004	845	1938	211861	105905	4086	9324	4099	0	2401	2334	0	0	0	1225	1230	0	0	2221	0	0	1062	0	Peptide	0.53333336	1.6666666	0.2
12	C15 H25 O8 N3	376.17145	376.17194	0.08850293	376.17148	0	0	0	0	0	1171	0	0	0	0	13545	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	290375	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1016	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1315	0	0	1092	0	23346	0	0	0	0	0	0	0	0	0	0	14869	4792	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.53333336	1.6666666	0.2
6	C20 H25 O6 N1	376.17548	376.17603	-0.17623001	376.17538	79135	90203	82441	82425	32528	36006	45978	97103	41116	214526	84515	47296	43804	22056	58377	86457	62123	52991	71079	221087	237882	120902	56805	96697	52173	129933	45192	73235	77065	79459	78114	82191	95699	75772	253052	81081	90918	51591	79790	129132	255534	35547	0	0	296	107230	113942	318	95581	75597	92162	81654	40400	462	52339	24178	24207	87679	22737	44746	82791	74726	45396	42080	21500	45467	46436	90115	116761	236433	215730	76004	78609	74775	57294	66240	320	48568	52571	57793	46152	44151	36643	83614	27942	27100	56646	40667	44341	86859	78561	71955	119724	81925	152371	399	81081	76720	24888	22017	27144	86272	47907	112083	53871	69223	30538	320	47037	56551	Phytochemical	0.3	1.25	0.05
10	C22 H26 O3 N1 Na1	376.18832	376.18878	0.059139155	376.18832	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59000	34028	17848	30985	0	0	0	50075	0	0	0	0	0	0	0	0	0	0	0	0	25226	0	0	0	0	0	0	0	0	36476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6900	28531	0	35917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4161	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.13636364	1.1818181	0.045454547
22	C17 H29 O8 N1	376.1966	376.197	-0.09559485	376.19656	2484	3145	6377	6317	3894	5375	7293	6912	7484	5636	2360	2206	13281	0	5828	5575	1642	10798	6909	2672	1954	4443	3630	5987	5080	0	5033	48016	8029	9000	7282	5707	4145	6478	2135	6754	9051	3162	1714	1820	0	4892	0	0	724	3536	2039	0	4986	3552	3546	6371	6098	570	13903	5076	4598	5200	3847	0	7318	2752	8022	5750	3489	8738	5749	0	1605	3018	2194	4094	5081	5373	3094	2920	686	3443	5076	2527	2746	1418	6482	2587	6219	4955	2744	1647	4220	1585	7558	10087	6316	2233	1762	0	4472	3801	3811	3594	3511	4706	5972	5709	3931	3880	3798	0	3435	11824	Lipid	0.47058824	1.7058823	0.05882353
6	C16 H29 O7 N3	376.20782	376.20844	0.1052196	376.20786	21329	21021	20132	20696	991	21034	904	3151	842	4151	10942	1075	3710	1077	2984	4722	866	4448	1415	0	0	3239	1472	4722	2835	0	1194	125706	3236	1636	2632	2620	4049	2311	1276	1460	3343	1581	1488	0	0	3328	0	0	0	0	0	0	2125	2314	20941	21460	1389	0	876	0	0	2281	0	0	4721	0	969	1394	1212	3016	820	2714	0	0	0	2379	1752	0	1252	1332	0	1759	2192	120596	1148	0	571	0	614	1158	2603	940	2100	2496	1880369	1141735	6571	54705	9875	0	23707	20553	1693	619	0	2579	1651	2062	0	2873	1058	0	1360	2107	Peptide	0.4375	1.8125	0.1875
2	C16 H29 O7 N3	376.20782	376.20844	-0.20652932	376.20776	7907	9037	6726	7077	3693	21528	3349	9725	3269	1439	5524	4196	19538	2635	6023	9461	3953	32237	6459	1081	1920	4754	4499	7348	5536	0	1901	33103	8400	6495	9056	8243	9903	8197	1609	9847	19233	5111	3692	692	0	0	0	0	0	1814	949	0	7448	5738	5879	6938	3227	0	4711	1743	1433	7822	1017	448	9384	0	4656	3294	0	12711	3990	3645	0	526	0	9984	8350	10335	2644	7655	0	5319	3468	85965	4635	0	0	298	2340	2345	3929	5033	4587	7523	69738	57609	13057	17256	985	0	6608	7895	1734	1904	1643	8261	5850	1830	382	6839	2853	0	3893	12657	Peptide	0.4375	1.8125	0.1875
4	C16 H29 O7 N3	376.20782	376.20847	-0.08676704	376.2078	6480	9238	7096	7426	1318	23518	1069	1798	2431	1564	3833	1266	3999	809	2104	2632	1589	9713	3061	0	0	1223	1378	2599	2278	0	773	35599	3041	1712	2655	1842	4017	2181	0	2019	3662	2015	1998	0	0	2885	0	0	0	0	0	0	2058	1538	9661	7438	1662	0	2794	1382	1191	3093	709	0	1944	0	2574	1465	0	4087	1213	1591	0	0	0	2590	1708	2110	0	1260	0	1441	1426	88370	1067	454	476	0	1334	1809	1694	2071	1989	2469	678504	405604	2321	13767	3222	0	7390	9179	3228	939	1063	1673	1375	1688	0	2266	2423	0	976	4509	Peptide	0.4375	1.8125	0.1875
26	C21 H29 O5 N1	376.21185	376.21225	-0.16215561	376.2118	13944	10795	14121	10075	22360	7139	3158	7175	11542	12686	18655	6359	17015	6787	11632	11847	11475	12678	16723	21878	22318	11654	7317	13723	8386	30086	4150	18769	11804	5753	13995	10255	13344	9733	21289	10778	14230	7142	11611	19086	24341	7807	0	0	0	8490	6759	0	13294	6720	11780	10974	13121	0	14257	8805	4294	16696	7277	9248	15054	11489	12164	13798	4187	15932	12624	13225	32391	32498	35158	10111	10754	6734	7115	9940	0	8067	12734	8078	9595	5749	7647	12350	14978	6738	13222	10475	6216	17259	13983	15800	13468	14186	11090	0	15538	14907	10987	14014	16671	13476	6391	13488	6713	9492	12596	0	9571	12432	Lipid	0.23809524	1.3809524	0.04761905
24	C21 H29 O5 N1	376.21185	376.21222	-0.16604307	376.2118	65916	64113	64215	70312	83955	56916	30971	50192	55034	98884	82342	34264	84521	43454	39464	65529	47870	66639	86376	145073	154939	74032	45313	62974	35718	138325	26987	92224	53558	48877	50562	62551	58376	58330	116683	53912	75652	33941	44290	96012	86009	55175	3133	0	0	65279	56874	0	60763	47463	63745	61364	59447	0	64376	48801	28201	68418	44803	38233	68163	65680	51376	45537	25434	68050	62427	47636	135481	152383	150451	54513	47800	42734	38432	45899	0	34908	45637	54626	30051	34132	36817	71968	62569	32962	52487	42953	42495	66387	82714	90179	80453	58204	85357	0	68261	69871	52081	58258	59784	78527	29109	74508	43546	52762	49820	0	40741	60475	Lipid	0.23809524	1.3809524	0.04761905
22	C21 H29 O5 N1	376.21185	376.21222	-0.17157084	376.2118	124740	121129	109771	111601	101545	75382	63471	113254	80745	148984	127628	69476	76721	61751	78453	127628	112766	99137	100474	217034	233836	134442	76699	128809	75734	266668	62933	136512	116325	106777	96004	112654	133204	132335	150127	111725	148631	71446	110742	161117	177184	78764	0	0	477	108956	123319	0	113126	102602	110641	108946	89393	1384	80710	71883	58035	122703	80881	97438	133019	101126	72176	66388	47091	86768	80163	109575	203796	254350	283771	121277	93902	92960	88401	99125	394	70061	84682	92660	62900	76418	91309	114506	77199	56706	89897	89418	82980	169188	150172	161779	153524	106336	151648	0	104174	122242	74203	70783	76607	148157	59248	144878	75802	107035	66433	0	80267	89418	Lipid	0.23809524	1.3809524	0.04761905
10	C20 H29 O4 N3	376.22308	376.22354	-0.19265783	376.22302	18249	14148	14424	15410	1780	7832	1950	6360	0	2591	17284	2295	0	0	2248	7339	4441	2002	1712	2426	2213	4170	2254	5905	4607	1803	2010	109388	5176	4762	2634	5795	8307	3902	2022	4896	8207	3332	5500	2977	0	4577	0	0	0	2152	2452	0	5556	4990	12318	13938	2359	0	0	0	1118	6966	0	0	0	0	0	0	0	1400	1605	4767	0	2014	1603	3743	3670	2952	3172	4438	0	3265	2786	985571	3007	589	0	1698	0	806	4361	3289	2947	10492	1152661	135440	10201	59923	14872	0	16036	11517	0	0	0	6064	2241	0	0	8348	0	0	3666	0	Peptide	0.2	1.45	0.15
8	C20 H29 O4 N3	376.22308	376.22357	-0.22758737	376.223	3855	4261	3100	2596	887	1461	1841	5291	0	2190	1222	2708	0	0	3022	7036	2923	0	2525	4477	3629	3315	2259	6903	5518	1210	2136	6417	4302	2492	2279	5279	5755	4035	2893	3103	3568	3636	4309	5768	2242	2680	0	0	0	2862	3237	0	5612	1815	3984	5353	1178	0	0	0	0	5698	0	0	0	1072	898	0	0	920	1281	7628	0	4424	3168	4566	3191	2740	5250	3509	0	3615	5518	35914	2219	0	684	2988	0	0	3099	2350	1749	18339	53685	12666	19455	5914	5311	0	4107	3716	1787	0	0	6327	3640	3947	0	8967	0	0	4836	0	Peptide	0.2	1.45	0.15
8	C17 H33 O4 N3 S1	376.22644	376.22684	-0.46011314	376.2263	0	0	0	0	0	2070	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10169	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57484	0	0	0	0	0	0	0	0	0	0	29041	0	0	4235	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23529412	1.9411764	0.1764706
10	C17 H33 O4 N3 S1	376.22644	376.227	-0.28625363	376.22635	1392	0	0	2230	0	13357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34291	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1982	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	112234	0	0	0	0	0	0	0	0	0	0	156282	40770	0	8050	0	0	1557	1586	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23529412	1.9411764	0.1764706
22	C18 H33 O7 N1	376.23297	376.2334	-0.17067961	376.2329	3749	3071	4339	3758	3190	3314	31425	2709	2281	2737	2819	1689	4561	5462	3578	2966	1775	5626	5964	0	0	0	2239	2681	2781	2052	12058	16478	3721	4153	1841	3894	4492	4888	0	2030	4931	3432	2153	0	2117	4026	2932	0	420	0	2154	0	3748	4366	4453	3634	4335	986	4069	1958	2021	2667	1658	1865	2309	0	4285	3512	9620	11735	7346	2651	0	0	2109	2283	2238	4423	2212	2158	613	1976	3010	14122	0	1736	33331	12277	3609	1930	3431	3183	2278	1555	30179	16759	3602	1933	3817	0	2927	3012	2109	2500	0	4473	0	1327	11021	3293	2334	0	1551	8526	Lipid	0.3888889	1.8333334	0.055555556
20	C18 H33 O7 N1	376.23297	376.23334	-0.12410978	376.23294	5173	3750	4806	2994	5055	4282	57261	6129	1903	0	1780	2575	6829	7362	6722	4077	4034	6547	4455	2153	0	1529	1574	3786	6847	4280	24048	5875	7064	5473	3914	4631	6755	9393	2437	6585	5788	6292	4464	0	0	2574	2331	0	0	2792	0	0	4108	3669	3489	4070	2646	964	4021	3609	2189	6617	1675	1913	4458	0	3030	2221	10851	10369	4920	2709	0	0	0	5447	4615	5848	3817	2978	0	2822	3857	9243	2851	1596	51758	18005	3129	3825	4025	3830	4333	3404	14786	7468	3397	0	2670	0	2785	3137	3530	1617	7508	8128	2598	4029	5208	2914	3145	0	3134	7364	Lipid	0.3888889	1.8333334	0.055555556
2	C18 H33 O7 N1	376.23297	376.23364	-0.19473322	376.2329	1485	1701	1645	1932	376	0	1289	1416	314	566	0	1288	0	537	966	973	1725	682	548	596	524	637	880	822	930	0	0	0	1275	1892	1652	1519	2117	1269	857	2493	1627	870	2211	469	2640	0	0	0	0	548	10584	0	1483	1176	845	920	606	0	404	372	0	2585	388	357	1064	4285	0	0	0	0	827	2557	20274	373	10428	1362	1385	1928	614	1567	0	1108	1730	0	806	3183	0	0	0	1024	2479	0	0	5315	2574	1844	1334	402	580	0	1100	936	0	361	311	1470	0	1335	3424	1322	235	0	845	0	Lipid	0.3888889	1.8333334	0.055555556
18	C18 H33 O7 N1	376.23297	376.23337	-0.14230743	376.2329	2384	3955	1783	5372	0	3411	45436	4411	1924	0	0	2630	3307	31126	3273	0	4783	5248	3379	0	0	0	2186	2530	3465	1536	14372	2009	7339	2479	4505	4847	6750	0	0	5032	5937	3119	6128	0	2174	4810	1195	0	290	0	1255	0	4156	1808	3971	3491	2590	403	3031	5694	3665	5542	1639	2041	4938	0	2565	1857	19590	7830	13390	5745	0	0	0	4037	4247	3422	4271	0	0	1562	0	3863	1781	0	47511	23464	0	1938	4026	2170	2662	1734	7851	3106	3734	0	0	0	4494	3653	2356	2906	2169	7334	2020	0	4133	2534	1812	0	1894	1951	Lipid	0.3888889	1.8333334	0.055555556
16	C18 H33 O7 N1	376.23297	376.2333	-0.22203216	376.2329	7070	0	2864	5932	3174	3042	41606	4442	0	0	0	2698	0	7618	5690	3232	6108	0	3750	0	3924	0	4956	3902	5036	4082	23950	6396	8684	0	2622	0	5878	2600	0	7344	6274	2926	8902	0	0	6492	2226	0	0	2532	0	0	4750	4844	4386	3446	0	0	0	2522	3114	10808	0	0	0	0	3534	2670	9616	0	6896	7787	0	0	0	0	5692	8516	7722	3664	0	2370	3126	0	2348	3438	71396	32662	4530	3752	6476	0	2560	0	13620	6668	0	0	0	0	3070	0	2164	2548	5594	4010	2876	0	6766	0	4412	0	5794	0	Lipid	0.3888889	1.8333334	0.055555556
26	C22 H33 O4 N1	376.24823	376.24863	-0.16576861	376.24817	16790	21982	18811	17729	18681	6842	9347	19232	11926	14125	26031	10637	11061	7952	12400	19279	28920	7229	22319	25630	22596	31631	7085	17070	18153	52797	8208	26547	22329	18831	15351	19354	19320	18789	17458	32338	17787	12810	17295	24775	30068	13612	0	0	0	17271	15433	0	20909	13759	18768	19490	16363	0	8961	16168	8596	22077	11674	14509	22552	14848	8733	10076	6394	13216	15849	23713	44042	26425	34109	10083	16590	23498	24122	21096	0	13777	15906	54258	7930	11375	17751	21417	16076	12576	36453	10294	12724	33783	29621	27957	17774	53055	30585	0	18482	18380	10888	13337	17574	24201	8744	22301	14208	14839	11966	0	16307	8992	Lipid	0.18181819	1.5	0.045454547
18	C22 H33 O4 N1	376.24823	376.24863	-0.21109453	376.24817	6128	8546	4671	4295	3056	2164	3201	3292	1478	5873	4819	2185	1507	2289	3727	9907	7772	0	2706	4081	3786	2212	1478	7133	4599	6005	4450	4693	3430	5480	5343	7561	8231	0	2933	8143	3699	2762	13692	0	5761	1553	0	0	0	1517	4282	0	6448	5532	3987	3307	2271	0	2085	6984	2077	8477	0	6133	9537	1098	0	0	0	0	3116	12413	4326	4922	7002	4070	2646	5045	12358	0	0	2664	5381	4630	2398	1534	2461	2035	1962	0	6447	2715	3815	33295	13553	3771	15103	0	7227	0	2527	6079	0	11907	15977	4999	2989	4418	1709	6388	1537	0	7275	0	Lipid	0.18181819	1.5	0.045454547
14	C22 H33 O4 N1	376.24823	376.24866	-0.20736791	376.24817	7927	9351	6755	8281	1372	2973	6106	14045	0	7082	6241	6557	0	0	7834	14164	9285	2330	3596	17263	10439	0	7341	7818	7661	11455	13674	8207	14972	14545	19619	22079	24373	16545	13192	15714	22967	8262	6400	8099	0	4598	0	0	0	3183	0	0	18901	10320	10318	9682	1535	0	0	984	2755	20854	0	0	0	1252	0	0	1632	1504	8280	14599	0	14440	7865	13666	20727	19205	9592	22230	0	20951	2946	0	3168	0	0	4353	0	0	7073	3981	5898	25236	31694	0	20004	5209	8931	0	9561	11483	0	0	0	15431	13477	4375	0	17238	0	0	4610	0	Lipid	0.18181819	1.5	0.045454547
22	C22 H33 O4 N1	376.24823	376.2486	-0.2130592	376.24817	27438	25614	23946	30351	17887	13063	19539	23263	8612	25177	26841	14042	10714	11070	14918	42491	40790	9681	19479	23801	31502	34780	11810	37465	50896	60156	20164	25898	22868	23679	14035	25076	26148	24676	24624	27524	22428	23467	41941	22658	38742	14567	0	0	0	15246	22311	0	23970	21723	32914	26892	13545	476	8385	12100	11043	44123	18375	25059	37200	11031	6732	9129	7577	18044	17979	49687	42931	47606	58933	17002	21659	20357	30041	22925	0	14316	27147	46493	13023	18198	20856	22955	13849	11141	59717	17803	13087	113691	110632	136424	67099	41471	51101	0	28171	29993	8869	14615	14510	33783	12857	36905	14538	39803	13915	0	62818	6462	Lipid	0.18181819	1.5	0.045454547
6	C22 H33 O4 N1	376.24823	376.24875	-0.20694931	376.24817	5784	8993	8088	7676	1281	7654	5167	16019	0	7067	2195	6908	0	832	8222	12355	8471	2495	13775	7728	9933	5274	6263	16771	8874	4428	6110	2486	8016	9016	12848	12323	9769	7661	8752	11251	12178	6693	9029	3807	2317	1087	0	0	0	5074	3593	0	14900	13316	7785	7397	1196	0	0	0	1119	11797	0	0	13821	3417	0	0	1007	1002	4088	11743	2751	3425	4389	8306	9433	13435	11153	10381	0	7297	4604	3890	5125	0	305	4752	6293	1461	4431	1729	2548	26535	9430	910	21715	5650	9437	0	7133	7405	1005	0	0	8816	5951	7048	0	12525	0	0	5629	0	Lipid	0.18181819	1.5	0.045454547
16	C22 H33 O4 N1	376.24823	376.24863	-0.14279881	376.24817	2547	5903	3300	3174	0	1738	4217	7260	0	3281	3239	10075	0	0	3692	10254	2278	0	2669	5047	6866	3073	2661	5502	8379	5439	10880	3756	7199	7500	7380	6386	3853	4277	2972	8649	5503	3911	7429	3765	0	2778	0	0	0	2458	1504	0	9039	11077	2725	7230	0	0	0	0	1194	11499	0	0	9706	0	0	0	1060	0	2790	7639	3979	8195	10551	9416	5480	8797	6669	6110	0	8794	6424	5482	3814	0	1074	1319	1795	1489	8413	4318	2234	26789	11135	0	0	0	7108	0	4337	0	0	1318	1720	5604	7178	2766	0	0	0	0	7786	0	Lipid	0.18181819	1.5	0.045454547
12	C22 H33 O4 N1	376.24823	376.24866	-0.25776318	376.24814	14926	20682	16170	17247	1694	5240	18933	48561	0	17357	15320	18582	0	2069	23210	41007	18351	0	6562	27819	21019	8907	17810	41429	28763	9779	30353	12012	42617	35308	36329	38527	40416	28291	27341	37247	39876	18456	23656	18903	0	6641	0	0	0	9702	11513	0	39552	35121	20353	19309	5118	0	0	1009	4471	29696	0	0	27912	4301	1353	1825	2734	1701	7346	33812	0	26553	12910	35591	32898	52771	26913	28745	0	27828	13200	0	11543	0	0	12034	1581	2709	13304	7239	8582	68233	33218	4458	68544	6121	19906	0	15421	17876	2553	0	0	29746	15680	16578	0	54154	2578	0	17226	1736	Lipid	0.18181819	1.5	0.045454547
20	C22 H33 O4 N1	376.24823	376.2486	-0.20762458	376.24817	7678	14001	12785	11611	11391	6414	9163	9093	4746	6378	6664	7590	2346	7272	6639	17941	18541	4526	7025	10237	14998	4780	5376	8737	11648	23330	11096	12482	8420	7745	6473	10248	10457	11398	7442	12456	10283	6918	21926	7168	15755	6625	0	0	0	5423	8501	0	6384	6390	8846	14756	8305	583	4675	16942	4443	21013	3507	13936	13371	5030	4430	1637	3683	6775	6624	25003	15350	15872	17404	5979	6833	7479	21940	11502	309	9301	11356	11583	7828	4014	6367	0	5563	5562	23071	6968	4182	55588	26719	10980	26126	6394	14533	0	8783	12669	4977	43419	43943	11908	5624	10432	5334	10967	8625	0	12714	2409	Lipid	0.18181819	1.5	0.045454547
10	C22 H33 O4 N1	376.24823	376.2487	-0.24335165	376.24814	25421	24584	24769	23242	3330	9125	16586	55769	1012	23641	13565	23425	0	3058	23064	45851	28394	2197	6685	30108	29811	10666	21156	45085	24431	10652	23908	18479	39756	40843	32703	44354	52163	41974	27656	42690	51724	22092	24233	27854	3263	8605	0	0	0	14321	14706	0	50977	42165	23929	21904	4533	0	1565	1202	3638	46149	0	0	44263	7367	0	1524	4790	2591	8675	48877	0	18302	14330	44673	42237	47427	37225	35852	0	23891	16462	15146	15425	726	0	16314	0	3268	15284	10253	12945	64496	42256	1747	52564	15058	34510	0	24706	24959	0	0	1417	42378	23184	26864	0	43442	797	0	15497	1376	Lipid	0.18181819	1.5	0.045454547
28	C19 H37 O4 N1 S1	376.25162	376.25186	-0.13160606	376.25156	9122	7326	6903	6958	0	95258	22849	12242	4985	0	985	0	0	0	2646	40783	16891	4001	0	0	0	2007	0	8124	2620	0	40872	2896	16772	26364	22180	22841	19901	14459	0	14243	33326	3740	35076	0	0	0	0	0	0	2827	0	0	32980	7572	8352	9043	930	0	0	0	0	10984	0	0	2587	0	0	0	2035	1873	0	4849	0	1612	0	9205	10390	5724	16029	31559	0	2480	0	0	0	0	0	0	0	0	0	15122	1627	6199	2297	1788	2393	0	0	0	6795	7989	8969	0	0	14118	5948	0	0	167458	0	0	4047	0	Organosulfur	0.21052632	1.9473684	0.05263158
2	C19 H37 O6 N1	376.26938	376.26996	-0.24414904	376.2693	7045	9717	6802	7219	0	0	8579	15855	0	3549	2779	8570	0	0	2813	14981	19231	777	1375	3242	3023	3517	6592	13628	2610	0	9902	1567	9741	14142	9812	14121	9234	5615	4545	14785	11043	3389	26232	999	4027	6623	0	0	0	3212	2381	0	14176	14570	8413	8068	1707	0	0	0	864	9336	350	3186	11404	305	0	0	0	1093	3123	27482	0	513	0	4853	10706	16057	18438	13013	0	6051	8296	2254	6728	1444	2098	742	0	857	5849	1214	4246	15679	1308	1016	8326	944	1857	0	8219	8492	0	0	0	10736	4956	9890	642	8461	0	0	7329	0	Lipid	0.31578946	1.9473684	0.05263158
26	C19 H37 O6 N1	376.26938	376.26956	-0.28973216	376.26926	0	0	0	0	0	0	7203	0	0	0	2607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5043	14943	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2349	0	0	0	0	0	3118	1415	0	0	0	0	0	0	0	0	0	0	0	0	0	7809	0	3717	0	0	0	0	0	0	0	0	12325	20095	0	2010	0	0	0	0	0	0	0	0	0	0	12321	0	0	0	0	0	Lipid	0.31578946	1.9473684	0.05263158
24	C19 H37 O6 N1	376.26938	376.26953	-0.39114976	376.26923	1324	0	0	1592	0	2109	17955	1496	0	0	2017	869	0	0	0	1576	2423	0	0	0	0	0	0	0	0	0	6182	10274	0	0	0	1348	1760	1084	0	1099	0	0	3312	0	0	0	0	0	0	0	0	0	2078	1996	0	0	0	0	0	0	0	1042	0	0	1732	0	0	0	2660	1943	1377	1796	0	0	0	1051	0	0	1648	1391	0	1185	0	10519	0	1653	4088	1883	0	4109	0	0	0	0	23128	19224	0	0	0	0	0	0	0	0	0	1832	898	0	1621	0	1109	0	0	1748	Lipid	0.31578946	1.9473684	0.05263158
20	C19 H37 O6 N1	376.26938	376.26953	-0.28366518	376.26926	0	2444	0	2031	0	0	1295	3198	1465	0	0	0	0	2943	0	0	0	0	0	0	0	0	0	0	0	0	1972	1451	0	0	0	0	0	0	0	0	0	0	0	0	0	4817	0	0	0	0	0	0	2069	2222	0	0	0	797	0	0	6917	0	0	0	1785	0	0	0	10172	0	2293	0	0	3472	0	3211	0	0	0	0	0	0	1527	3705	0	0	1510	0	2890	39441	0	9082	2563	0	14356	34206	0	0	0	0	2387	1505	0	0	8376	0	0	1589	0	4548	7791	0	0	0	Lipid	0.31578946	1.9473684	0.05263158
16	C23 H37 O3 N1	376.2846	376.28482	-0.23002443	376.28455	1928	1977	2792	1984	0	0	6210	2603	0	0	0	9924	0	0	2724	6101	0	0	0	0	0	0	1515	0	8406	0	8311	0	2074	4883	4538	0	7184	2513	0	2051	4494	2559	0	0	0	0	0	0	0	0	0	0	1934	3706	2374	0	0	0	0	0	0	4576	0	0	0	0	0	0	0	0	0	0	0	0	0	2206	0	6654	2300	2807	0	7099	0	0	1599	0	0	0	0	0	7313	0	0	135222	0	0	0	0	0	0	0	1605	0	0	0	3640	9975	0	0	0	0	0	5218	0	Lipid	0.13043478	1.6086956	0.04347826
12	C23 H37 O3 N1	376.2846	376.28494	-0.119416006	376.28458	4063	3358	5891	4156	0	0	3983	17181	0	0	0	5269	0	0	1728	13255	0	0	0	0	0	0	1170	0	5950	0	8226	0	4450	12290	12002	3789	0	2771	0	5574	0	1372	0	0	0	0	0	0	0	0	0	0	12234	26032	4062	3980	0	0	0	0	0	10833	0	0	0	0	0	0	714	0	0	0	0	2019	0	4206	3937	9665	4426	6190	0	5218	2054	0	2126	0	0	0	0	0	2372	0	0	349432	0	0	21406	0	0	0	2732	3625	0	0	0	0	6677	0	0	7445	0	0	3164	0	Lipid	0.13043478	1.6086956	0.04347826
18	C23 H37 O3 N1	376.2846	376.2847	-0.385622	376.2845	0	0	0	0	0	0	0	0	0	0	0	0	0	1244	0	1609	0	0	0	0	0	0	0	0	2281	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2431	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29258	3957	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13043478	1.6086956	0.04347826
14	C23 H37 O3 N1	376.2846	376.28497	-0.20070489	376.28455	3712	0	1989	0	0	1755	0	5030	0	0	0	2268	0	0	0	7262	0	0	0	0	0	0	1263	0	5589	0	4802	0	2935	5220	5612	0	1792	2513	0	0	1775	0	0	0	0	0	0	0	0	0	0	0	4572	4877	0	0	0	0	0	0	0	5925	0	0	0	0	0	0	0	0	0	0	0	0	0	3857	1358	1359	1913	2392	0	2648	4761	0	4244	0	0	0	0	0	6794	0	0	95723	3357	0	25171	0	0	0	2424	0	0	0	0	0	2464	0	0	5469	0	0	1685	0	Lipid	0.13043478	1.6086956	0.04347826
24	C23 H37 O3 N1	376.2846	376.2847	-0.30900303	376.28452	0	1045	0	0	0	0	1772	0	0	0	0	0	0	0	0	0	1243	0	0	0	0	0	0	0	0	0	0	973	0	1265	0	0	0	0	0	1560	0	898	1659	0	0	0	0	0	0	0	0	0	0	0	835	0	0	0	0	0	0	0	0	0	1381	0	0	0	0	0	929	2061	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2114	0	0	23223	1880	0	1541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	905	0	Lipid	0.13043478	1.6086956	0.04347826
10	C23 H37 O3 N1	376.2846	376.28513	-0.11239907	376.28458	1267	1412	1510	1249	0	0	0	4885	0	0	0	1565	0	0	1264	2401	1014	0	0	0	0	0	1006	2740	6208	0	885	0	1727	2002	2000	3213	0	0	0	1622	2035	0	0	0	0	0	0	0	0	0	0	0	2525	6729	1640	0	0	0	0	0	0	2315	0	0	0	0	0	0	0	0	0	3200	0	0	0	1154	1634	1651	2273	1501	0	2119	1534	0	0	0	0	0	0	0	1790	820	0	61371	0	0	14796	0	0	0	0	1029	0	0	0	2288	828	0	0	3828	0	0	0	0	Lipid	0.13043478	1.6086956	0.04347826
24	C20 H41 O5 N1	376.30576	376.30618	-0.11289663	376.3057	0	0	0	1261	0	0	0	1975	0	0	1442	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2974	2082	0	0	0	0	0	0	0	0	0	0	0	0	0	6719	0	0	0	1424	0	0	0	0	0	0	0	0	43502	0	863	0	0	0	0	0	0	1782	0	0	5649	0	0	0	0	0	0	0	4219	981	0	0	0	1918	0	0	1159	0	0	0	0	0	0	0	4613	1334	0	0	0	0	0	0	0	0	2060	0	0	0	0	0	1051	0	0	0	Lipid	0.25	2.05	0.05
26	C20 H41 O5 N1	376.30576	376.30557	-0.15974158	376.3057	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16156	0	0	0	0	0	0	0	0	6847	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2593	6454	2304	0	0	0	0	0	0	0	0	270805	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	2.05	0.05
22	C24 H41 O2 N1	376.321	376.32138	-0.026083902	376.32098	0	0	0	0	0	0	0	4364	0	0	0	0	0	0	0	8196	0	0	0	0	0	0	0	0	59867	0	0	0	2261	1641	40424	3920	2629	5147	0	8912	1988	0	0	0	0	0	0	0	0	0	0	0	3036	5391	0	0	0	0	0	0	0	0	0	0	10691	0	0	0	0	0	0	0	0	0	0	3587	0	0	2086	0	0	1133	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6498	0	0	0	0	0	0	0	0	Lipid	0.083333336	1.7083334	0.041666668
2	C17 H9 O5 N2 S1 Na1	377.02026	377.02066	-0.25421116	377.02017	1727	1546	1166	501	0	0	13036	0	0	0	2114	0	0	510	0	0	0	0	0	0	0	654	0	0	3043	10652	0	0	0	0	0	797	0	0	925	0	0	1613	0	613	0	0	0	0	0	1476	0	0	0	733	911	1326	0	0	0	0	1514	0	442	0	0	5468	0	0	0	0	0	0	12794	2757	0	0	0	0	0	0	0	788	3880	0	14495	11862	39481	3013	661	696	697	0	364	0	0	0	0	1284	0	838	1048	1305	0	0	0	0	0	0	13292	0	0	0	12190	0	Organosulfur	0.29411766	0.5294118	0.11764706
20	C17 H12 O10	377.05032	377.05072	-0.08129003	377.0503	7977	5020	8436	9568	31370	22454	2257	1593	26508	3198	2439	2397	65362	25756	5186	0	2611	31688	39380	2654	2148	11603	11282	0	2127	2524	3134	0	0	0	0	0	4027	0	3736	0	2956	8199	2308	1473	6040	7889	1390	0	1017	2854	5536	2926	2491	0	9673	9543	19211	604	31181	36980	13320	2999	2158	1445	0	2584	66997	33276	11884	42564	7984	0	1625	1682	2892	1552	0	0	0	0	1132	3022	17504	10580	14737	2851	0	0	46426	21467	17049	10502	13275	2309	2180	1980	3795	13599	9052	960	10914	9113	22650	42378	51662	1958	3167	0	2869	1927	25334	0	3136	66083	Phytochemical	0.5882353	0.7058824	0.0
16	C17 H12 O10	377.05032	377.05078	-0.08742228	377.0503	17322	18532	15061	16821	62623	30922	4785	3211	54674	13503	12660	10358	107976	31064	11006	4222	4324	66241	64111	9554	10408	39427	16672	7528	2453	0	2693	2925	3894	1938	3390	0	9828	3956	20257	1877	10726	13132	4626	6709	11781	14152	904	0	375	4337	14069	1270	4558	3558	21162	22843	36824	422	50742	55439	24732	6573	5704	6004	0	7968	114789	65428	20833	81079	23236	4414	3978	0	4323	2974	2495	1434	4820	2681	0	6217	31802	23889	21484	9597	1171	1876	74253	26911	27870	27719	20662	0	7193	9408	0	38936	24136	0	19302	16937	44180	80632	74038	8075	8988	0	5750	0	46615	399	7160	108056	Phytochemical	0.5882353	0.7058824	0.0
12	C17 H12 O10	377.05032	377.0508	-0.09812626	377.0503	11753	11794	9531	10725	32950	12549	0	2384	45391	10379	14678	5742	53017	8510	3370	3833	3201	26245	34470	8796	14975	29334	9053	2949	1378	0	1671	0	0	1164	0	0	7246	1844	13879	0	3918	6709	3979	4543	6843	9489	649	0	0	2566	9182	382	2054	0	13497	16437	17676	0	36983	37645	17925	3492	0	0	0	5040	78727	45201	14445	43737	10416	0	0	0	4688	1379	0	0	2582	1705	0	2022	11967	0	10357	4085	0	0	36560	13454	9058	14591	13058	8060	0	2054	6486	39097	13220	0	16045	11543	36434	51613	43992	5403	4522	0	0	3947	32501	0	2164	72310	Phytochemical	0.5882353	0.7058824	0.0
28	C17 H12 O10	377.05032	377.05063	-0.11433315	377.0503	8038	5903	7606	7444	22274	10111	4799	2406	19395	2626	0	3540	33480	11258	4664	3641	0	33342	24547	0	2671	4520	7575	3819	3273	0	2772	0	0	0	2506	0	3490	1132	3959	0	3886	4415	0	851	1780	2962	1192	0	0	0	4558	1354	1180	0	6159	8446	15671	0	23359	14054	5655	2476	1612	1574	3276	1276	36816	16681	6038	23099	5292	2026	0	1061	0	1010	0	0	0	0	0	2118	12717	2398	11643	1244	1918	0	25912	10749	8976	4922	7063	3339	1995	2938	2392	4034	4976	0	8028	7338	9459	15165	17935	4684	2573	0	0	3206	12273	0	3017	36277	Phytochemical	0.5882353	0.7058824	0.0
24	C17 H12 O10	377.05032	377.05072	-0.09134228	377.0503	4110	6938	3984	7479	19906	11732	2825	0	17840	3606	1656	1896	34632	11770	3232	1235	0	28374	23988	0	0	4462	5911	2389	0	0	0	0	0	0	2570	0	1803	0	1432	0	0	2574	1644	0	1086	2992	0	0	0	3297	2626	2870	0	1941	6141	6055	14944	0	22903	15855	6322	1310	968	0	1153	936	39987	23574	4960	24223	4555	0	0	0	0	1046	0	0	1328	0	0	2423	14337	2742	12660	1481	0	0	28156	10046	8842	6128	4512	2650	0	0	2529	2975	4516	0	5190	4294	9493	19130	23630	1598	2328	0	0	0	11356	0	3294	40966	Phytochemical	0.5882353	0.7058824	0.0
26	C17 H12 O10	377.05032	377.05063	-0.156048	377.05026	6233	6726	5026	8713	18119	11815	1986	0	19942	2279	0	0	34127	11455	0	0	0	31894	30794	0	0	5648	6476	0	0	0	0	0	0	0	9517	0	2380	0	1769	0	2334	4307	0	0	2468	0	0	0	0	0	0	0	0	6025	5384	4416	10850	0	28621	12221	6662	0	0	0	0	0	38736	19704	4838	26907	2422	2439	0	0	0	0	0	0	0	0	0	0	14273	0	14582	0	0	0	27633	13166	7977	4958	5002	3357	0	1939	0	2968	4907	0	5202	0	11019	17806	11964	0	0	0	0	2642	11910	0	6337	43428	Phytochemical	0.5882353	0.7058824	0.0
22	C17 H12 O10	377.05032	377.0508	-0.05158988	377.0503	4672	10814	6953	6587	26338	10662	2511	1275	22262	2296	0	1391	37103	9756	4314	1948	0	25131	17530	0	4312	7319	5000	2733	2144	2569	2383	0	0	1060	5953	0	3949	0	2616	0	1698	5457	1661	1375	0	2874	0	0	782	2985	3674	0	0	2446	6309	8975	15224	351	30751	22278	10748	0	0	1573	1598	1356	37353	21240	6454	29262	3991	1341	1427	0	2318	0	0	0	1223	0	933	3557	16514	4238	14282	1790	1120	0	38148	16356	12216	7008	9429	1991	0	0	2854	11895	6498	0	5978	6395	15124	37132	27430	1417	1582	1151	2750	0	20949	0	3284	43830	Phytochemical	0.5882353	0.7058824	0.0
10	C17 H12 O10	377.05032	377.0509	-0.04742238	377.0503	6381	4682	3654	5312	15986	6278	0	0	20030	3498	9141	1932	30328	5445	2163	0	0	13887	17707	0	6586	14170	3448	0	0	0	0	0	0	0	0	0	0	0	8979	0	3035	1253	0	2236	4261	4516	0	0	0	0	3744	0	0	0	6184	8639	9583	0	17989	19538	5970	0	0	1804	0	1989	40559	21514	8045	19825	6706	1579	0	0	0	0	0	0	1685	0	0	951	4670	0	3282	2755	0	0	20489	3737	5034	5748	5249	1752	0	0	3595	13203	4001	0	5681	5072	13700	30919	21633	1576	1503	0	0	1312	14167	0	0	36530	Phytochemical	0.5882353	0.7058824	0.0
18	C17 H12 O10	377.05032	377.05078	-0.039481625	377.0503	17020	14704	16422	17175	52889	27087	5989	0	42395	5467	6477	6494	90048	26326	10493	4433	2987	61491	49760	5365	4701	18385	14546	3532	1806	0	5850	0	0	1287	1626	0	8588	0	9848	0	6140	12421	3447	2194	7308	9645	1636	424	903	4621	11099	1554	2678	2250	16445	14529	31591	447	53417	53240	17781	4034	2763	4376	5029	5661	89248	46225	16736	57346	19629	3746	2181	0	3650	0	0	0	1881	0	565	3568	22003	16055	22788	6430	2126	1663	64552	26254	15820	14100	12378	4513	0	3693	6135	26464	16827	702	16904	12522	32016	64184	60479	6582	6288	3774	3826	7138	37112	426	6086	73935	Phytochemical	0.5882353	0.7058824	0.0
14	C17 H12 O10	377.05032	377.0508	-0.07184418	377.0503	25273	19174	18361	23140	53965	21209	2394	2748	64794	12899	17602	10089	96361	21960	7992	4655	4450	63276	53843	9075	19722	37772	19096	3519	1271	0	3675	0	1510	0	2373	0	8316	0	31889	2527	6323	9898	3895	6057	18265	14508	0	0	0	5943	12532	758	2504	4474	21053	22607	36150	0	56773	56132	27582	8277	0	6879	0	6936	105294	68150	19668	69706	17148	4802	13598	1705	2767	0	2422	0	3713	0	339	5297	23029	27995	17532	7508	1732	1282	61157	24049	20511	20772	22875	11624	3291	6689	9044	54935	23727	0	17160	17920	39998	86627	72322	9582	8530	2473	0	6751	41911	0	4399	96288	Phytochemical	0.5882353	0.7058824	0.0
20	C16 H12 O9 N2	377.06155	377.06195	-0.33665875	377.06143	3296	3434	0	3728	7720	2928	0	3204	3706	0	0	2646	7816	0	0	0	0	11868	3374	0	0	12482	7922	6172	0	0	0	0	4022	0	3270	4384	6556	0	3936	2618	4082	2752	2754	4338	7702	3036	874	0	0	0	3718	0	3680	0	0	0	6640	0	8258	4578	3218	4778	0	1085	4718	4270	10538	4234	0	8216	0	0	0	0	0	3690	2444	0	2712	0	0	7224	5630	5864	0	0	0	0	6268	3016	5466	10716	28456	0	0	0	0	10288	3632	0	0	4746	2524	3920	3884	3440	2722	0	0	7262	0	0	0	11788	Phytochemical	0.5625	0.75	0.125
6	C12 H16 O8 N4 S1	377.07617	377.07663	-0.1639298	377.0761	6523	6822	7024	5675	3511	1278	2123	1259	2224	0	1093	4478	7568	0	897	13208	2702	3010	4342	1187	940	7285	8197	72243	1118	781	2647	0	0	2103	3394	0	2965	1785	1051	1560	3626	2707	8758	6043	5990	1684	0	0	0	16858	11123	0	4329	741	8724	7044	3047	0	6464	2380	1092	23578	0	995	31058	0	3878	5511	1306	7314	3022	15120	0	0	0	3358	1376	0	3515	1349	0	2644	21185	0	13710	1379	0	3955	2004	0	22176	4145	2024	70927	7137	3749	33656	3544	7640	0	7466	5701	1622	3902	3714	2606	1839	0	0	38549	1861	0	13312	3773	Peptide	0.6666667	1.3333334	0.33333334
4	C12 H16 O8 N4 S1	377.07617	377.07706	-0.15817907	377.0761	0	0	0	0	0	508	0	6422	0	0	0	1148	0	0	3268	26133	2069	0	0	982	0	0	0	42470	5935	0	0	0	1168	0	610	0	0	0	0	784	0	0	696	0	0	0	0	0	0	0	0	0	0	3634	0	0	0	0	0	0	0	985	0	0	1131	0	455	464	0	0	0	0	0	0	0	0	0	0	0	0	0	291	0	7471	0	0	0	0	0	900	0	0	0	1551	0	0	4394	0	0	0	0	0	0	0	0	0	0	1902	0	2599	0	0	0	0	Peptide	0.6666667	1.3333334	0.33333334
10	C22 H16 O4 S1	377.0842	377.08478	0.17384256	377.08426	2815	2526	0	0	3406	2007	0	0	4126	5461	4074	1084	3226	2189	0	2247	0	2693	4030	3213	4192	3008	1254	2344	0	4114	1109	0	0	1227	0	0	0	1763	5532	0	0	2511	0	6007	3590	2288	972	0	0	0	0	0	1157	0	2958	3411	3722	0	2564	2929	3108	1895	0	3140	0	6836	4371	5446	3420	4572	3219	0	0	4260	4173	1670	1421	0	26056	1164	0	1378	0	0	2131	2562	1594	3483	2322	1876	2030	2586	1568	0	0	2874	0	4609	0	0	2310	1637	5079	3341	2706	1221	0	0	0	0	4107	0	1833	4828	Organosulfur	0.18181819	0.72727275	0.0
22	C18 H16 O9	377.0867	377.08713	-0.090259545	377.08667	28718	29707	25198	31600	60398	32879	6725	9182	61201	52435	20511	8019	82453	32409	14404	6082	5490	76575	49290	26460	30001	52705	18669	9186	12664	21707	6858	12386	8315	4154	8772	6777	9231	6914	50282	6071	17704	13467	4267	24599	21005	12424	3031	0	1749	29978	30587	2579	7144	4151	27943	31702	40316	1746	69115	54263	24435	12485	11758	6355	11367	17473	95115	55342	16998	69579	15196	6136	26780	28010	32884	6125	3564	2461	2566	5593	1698	6237	36073	31265	29750	28484	7006	15315	83159	38667	25843	18376	20363	8280	16541	12966	9896	48212	77567	0	25163	25695	39757	62933	55483	13917	8724	7899	22392	9042	43020	0	10221	105222	Phytochemical	0.5	0.8888889	0.0
16	C18 H16 O9	377.0867	377.08716	-0.07589608	377.08667	192498	198782	181232	188464	273647	177967	69337	84701	321899	435840	219865	72393	464168	139733	117149	98327	61437	417001	364036	295875	310762	339310	145946	107245	70599	126200	61187	136150	75472	65512	69352	69308	138279	66868	507591	59314	136961	103592	66505	222700	196595	109954	6803	1499	1704	175958	214104	2744	84682	64918	188196	204137	203778	1513	327737	234104	127378	114636	102187	75311	103524	161509	480750	298120	107762	336328	160162	71667	190023	206346	248812	71366	64763	45989	53350	67357	1297	76143	183956	228890	130155	177263	60520	118827	277691	151021	158357	125809	139594	117408	124016	165400	148292	288895	336759	2671	177482	177277	222871	262268	263510	110977	71370	95238	142307	108735	203281	1732	84971	487265	Phytochemical	0.5	0.8888889	0.0
14	C18 H16 O9	377.0867	377.08722	-0.0512269	377.0867	216342	211059	183743	204118	272955	151662	86801	87862	291384	476837	311646	91536	412022	125375	104747	103408	78697	338420	299731	327901	371748	429167	134479	118272	65551	149689	78414	190581	67308	68110	81526	93861	124171	76442	627275	61071	119692	104151	87438	237855	273744	107710	6187	709	681	187680	273432	1259	91869	72644	181131	176283	184150	1247	295279	225711	129669	119675	119713	99127	110984	202054	465904	285806	109763	305363	141972	83002	292847	254670	314767	79440	64627	57629	64611	71596	1026	83417	178608	227483	147933	187670	66146	116648	262415	138684	154076	136060	139905	151702	112832	146378	140237	343820	348363	1693	209532	190106	227415	268393	255787	107299	81848	120848	207915	102674	191715	889	76334	366401	Phytochemical	0.5	0.8888889	0.0
28	C18 H16 O9	377.0867	377.08707	-0.14710523	377.08664	8719	8064	8763	8475	16375	11194	4613	0	14917	15364	5197	3518	27515	12544	7776	3720	0	27114	21496	10593	10857	14250	9382	5630	6567	4166	2764	4089	3499	0	2599	1662	3626	1518	17576	3067	5407	5157	1773	5664	8300	3520	2165	0	0	8808	8944	1909	3678	2289	9355	9638	11019	0	17252	15446	5196	5200	4119	1911	4894	4828	22574	16675	5208	21046	7685	3334	7719	10455	8042	1395	2586	0	2407	3245	0	3687	9135	9422	10281	5655	3631	3940	17131	9385	9346	5692	7255	2586	5155	6193	6160	12374	15115	1242	8983	11837	10252	14484	17127	4904	3716	4277	7296	4737	9813	0	4132	30046	Phytochemical	0.5	0.8888889	0.0
20	C18 H16 O9	377.0867	377.0871	-0.12992737	377.08667	57302	63925	69903	59319	105517	75080	23489	19996	117112	96753	46962	21741	194092	62310	44599	23510	15296	154227	127802	57972	69525	99440	46512	34039	28059	41737	16862	28999	20410	12933	21128	17537	28161	15254	120770	13080	45661	37731	16670	66243	42355	36801	4048	1436	2058	56608	63705	3630	23349	17198	65629	54902	81296	1651	136724	105237	47687	34573	33604	14335	30233	46206	186020	115968	49691	125700	51598	15850	44797	60754	65537	14173	15500	11792	13792	17595	1882	23233	62969	71532	54460	51144	16599	38270	134428	66812	56697	39395	45338	21544	35365	42878	41270	104149	100616	2558	64254	54933	81765	114873	102883	29347	23248	25260	54702	24807	77257	1744	23699	210495	Phytochemical	0.5	0.8888889	0.0
26	C18 H16 O9	377.0867	377.08707	-0.110891305	377.08667	12270	9712	10213	8448	18081	12242	2116	0	22172	19209	3993	0	42752	10860	0	0	0	34589	29333	7559	14618	19594	8349	0	0	0	2645	2412	0	0	0	0	4347	0	18257	0	5159	5027	0	5309	7607	0	0	0	0	8562	9572	0	0	0	11549	10221	14447	0	24412	19265	7930	4652	0	0	6021	3589	38636	22732	6612	21637	6774	0	9323	11420	13236	0	0	0	0	0	0	0	16275	6956	13916	6229	2357	4119	27011	11209	10137	4350	7579	4383	3789	7484	6474	13756	30074	0	10947	10137	13157	23438	24719	0	2814	0	6411	2435	11370	0	5317	38065	Phytochemical	0.5	0.8888889	0.0
24	C18 H16 O9	377.0867	377.08707	-0.10996212	377.08667	12670	16012	16685	21494	34226	19482	3308	3831	30718	29479	9177	5390	58324	16670	10979	4810	2634	42369	30798	12050	16813	31515	15809	5103	8436	10795	3047	7013	0	2408	3333	4448	7443	2285	32207	2221	9413	5967	2640	8450	11575	5872	0	0	0	14594	17640	2303	3264	2415	14220	14188	20867	0	40112	32014	10444	7611	3050	3352	4620	7212	56259	36535	6637	35568	13812	3021	10685	16447	13608	1536	1534	0	1416	3270	0	5940	17967	17186	16550	11268	3757	5150	43132	14498	13754	7774	11421	3072	5363	8275	4286	27553	50617	0	13946	12769	22652	32611	30523	6076	5075	3345	8057	5288	21945	0	6718	57365	Phytochemical	0.5	0.8888889	0.0
6	C18 H16 O9	377.0867	377.0873	-0.11923568	377.08667	11578	12019	9575	12336	14834	9298	3366	4681	22691	26751	20559	5813	21531	7406	5002	10146	5887	14409	18053	16660	23047	14747	9668	6335	1578	5558	4126	5037	3100	3854	4347	4554	6607	4187	26604	3260	5662	4942	9471	8507	17025	8415	0	0	276	6640	13868	0	6568	5445	11993	11348	12106	0	20936	20944	10730	8094	4009	7554	5775	7787	30136	22560	9183	17599	10172	10860	15127	15861	28403	4975	4026	3061	3540	4767	0	4787	9457	2967	9065	4849	2875	3263	22940	9615	9527	10571	8765	12410	0	6815	9799	13438	10400	363	11950	8907	17177	28602	24644	8332	6581	6887	0	7271	17440	0	3317	27168	Phytochemical	0.5	0.8888889	0.0
10	C18 H16 O9	377.0867	377.08722	-0.07942329	377.08667	100906	95664	79057	78097	105226	59894	30142	47035	129157	213680	160850	47959	154780	52705	40131	58990	43807	114237	128883	124853	181753	145987	60365	59379	19660	75260	34435	67699	31476	30545	34833	39235	63690	36959	276241	32155	58094	51380	58873	98850	160381	44929	3118	0	452	78873	128284	554	41450	34849	90913	89600	72478	722	120638	100774	52534	51109	47608	59931	51321	88912	169024	123722	55717	119910	62180	61333	143558	123145	195165	40367	32619	27317	38923	39528	0	33427	82847	97774	70143	65697	26647	44149	136726	56477	71264	52703	57466	65582	38868	49552	57950	169839	152601	767	95534	93196	116171	135938	118783	54346	41924	50747	65220	52716	94970	0	31372	168043	Phytochemical	0.5	0.8888889	0.0
8	C12 H16 O10 N4	377.09393	377.09442	0.3850586	377.09406	0	1221	0	0	0	0	790	0	0	0	0	700	0	0	991	0	0	0	0	0	0	1456	1614	0	853	0	0	0	0	0	757	0	1002	1009	0	0	0	1746	1039	0	0	759	0	0	0	0	0	0	0	0	0	0	563	0	0	0	0	1005	1211	0	0	2062	0	0	0	0	0	0	0	0	0	0	0	0	28187	859	0	0	0	0	0	0	0	0	0	0	0	0	0	2394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2169	0	0	630	1261	Peptide	0.8333333	1.3333334	0.33333334
6	C21 H16 O3 N2 S1	377.09543	377.0959	-0.013371061	377.09543	0	0	0	0	0	0	0	0	455	0	0	0	863	0	0	0	0	0	0	0	0	0	644	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1079	0	0	0	0	0	0	0	0	0	0	0	0	0	611	0	0	0	669	0	0	1282	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27804	0	0	0	0	0	0	0	0	0	0	0	0	529	889	0	0	0	1360	0	0	0	0	0	0	0	0	0	0	0	0	742	0	0	0	0	Organosulfur	0.14285715	0.7619048	0.0952381
6	C17 H16 O8 N2	377.09793	377.0985	-0.13630466	377.0979	18598	22635	18279	21485	21019	9203	5026	11340	28612	32617	29522	10744	34092	6261	6587	9068	12971	24908	24153	21866	44217	38051	15399	16204	4568	4358	4697	9303	5822	7646	9201	8577	17218	8530	46399	5855	15383	9013	20074	18866	43972	11399	0	0	0	19142	35391	0	8997	10227	16353	18151	14718	0	29827	22628	8848	10234	8027	14430	11981	18350	48380	27077	10811	26896	12844	22144	15243	12719	33016	9165	7106	5659	5581	6893	0	8863	11760	11155	9496	11528	4696	5720	25349	10219	12842	17440	16197	26829	4753	13061	26333	33166	26205	0	18901	17943	15123	29115	24626	16353	10876	13271	16936	19308	18439	0	6125	44205	Phytochemical	0.47058824	0.9411765	0.11764706
8	C17 H16 O8 N2	377.09793	377.09848	-0.10515148	377.0979	43453	50657	34764	40319	42434	21173	13998	24275	61502	82179	64464	20420	67511	14013	16138	22973	29596	42384	53481	56336	88697	95633	28537	29061	8553	12501	14715	19824	15535	14939	14611	17109	28777	17024	120525	13633	27819	18813	29395	67913	116831	19443	0	0	0	49513	88326	0	20910	14794	39310	41429	28132	0	59815	42827	22215	26367	21675	32097	29592	59905	96652	61646	22417	59870	25057	31815	43542	31930	75763	17945	14347	11187	15427	17235	0	15526	31407	45758	21563	34813	10902	19729	48397	16375	31859	30485	28924	53202	10566	33132	43606	79200	63665	0	43431	42064	36823	54875	50130	27478	16944	25620	27263	23321	35764	0	14236	82963	Phytochemical	0.47058824	0.9411765	0.11764706
14	C17 H16 O8 N2	377.09793	377.09842	-0.07487943	377.0979	73787	72625	53172	77266	60533	43125	48605	34369	65036	115749	71462	41744	104922	34876	38229	50825	112321	75455	80551	72578	104393	147251	42956	48219	33542	28569	50307	46040	34767	36692	37882	34085	54953	26863	148518	30439	51316	39378	108106	103182	139856	40125	0	0	0	62049	92607	0	38431	34621	63684	55096	52633	0	79989	51277	35131	61224	40711	37045	59868	88744	109383	68658	33468	79715	39684	124171	67114	66743	84352	27792	17615	15355	46788	24336	0	31466	58274	81968	50396	53080	20216	43290	61429	35479	66338	48813	43728	118590	43641	62042	84706	116569	99226	0	73275	63531	37307	56352	51571	47680	31807	45686	50329	62811	48100	0	47810	100190	Phytochemical	0.47058824	0.9411765	0.11764706
18	C17 H16 O8 N2	377.09793	377.0984	-0.023070224	377.09793	45508	50428	48733	41752	62514	38214	22816	13654	40871	94822	41035	24494	64921	29204	35836	35100	45325	55105	55597	41695	63412	100498	36020	42878	38078	44562	27191	23950	19172	17024	17334	15976	38176	17210	95556	16210	40990	26164	47504	75704	79995	25467	1698	590	0	37277	54268	972	26606	15943	54126	38553	41325	912	56824	37615	31597	38020	17641	23944	32856	61177	77867	50845	23956	53242	42313	47825	45779	58202	70207	12265	8592	6770	20653	0	0	17056	51443	62325	32405	51092	16156	34736	49858	38571	55175	42294	43066	56658	29532	47809	67296	79912	99781	0	45732	45363	32251	40907	46796	40697	24277	30060	28747	42782	32196	0	31779	72439	Phytochemical	0.47058824	0.9411765	0.11764706
16	C17 H16 O8 N2	377.09793	377.09842	-0.07333973	377.0979	40088	52410	39518	51584	55372	44896	34000	27201	52060	73388	39708	31164	74979	33899	34981	45470	48940	66032	64619	53165	60182	89653	49223	42602	32413	12078	35562	18101	24495	18553	27534	27096	47937	22430	98528	19949	53415	35109	53855	56211	80231	36438	1413	0	316	40696	64080	581	39932	23751	46698	46211	52375	403	54238	35858	32966	49166	22784	24613	42252	57016	69727	48304	26744	63850	42126	46646	27325	41129	46310	22957	15534	8947	29383	19201	0	30826	50634	55002	42987	37758	16211	31514	48793	28166	57983	52995	40688	80413	18174	38839	99124	71716	76568	0	43315	44426	36589	42167	42954	49510	28806	26748	33982	54370	40117	0	45861	69109	Phytochemical	0.47058824	0.9411765	0.11764706
12	C17 H16 O8 N2	377.09793	377.09845	-0.08167753	377.0979	72816	73419	71715	74875	74621	44484	39240	38128	82575	129573	94572	38285	108674	28796	36779	50089	74494	89695	87325	95539	146189	153613	51365	48485	26432	30898	37087	53085	26307	25891	40802	29404	59090	27351	208105	26911	47993	30081	77194	133333	212190	38860	1303	0	0	83108	145421	0	32961	27050	70476	71052	56842	0	102042	60201	39118	40422	46368	61823	45591	107629	134685	88975	33104	95652	44409	81304	102604	74447	133763	29186	24914	18400	33156	25580	0	34288	66040	77580	53052	69679	25180	48441	79388	37020	67715	48307	48418	115112	37431	69778	88845	145566	102737	0	76258	70549	59260	70900	65430	60338	38122	35283	72252	59260	59720	0	37004	151430	Phytochemical	0.47058824	0.9411765	0.11764706
10	C17 H16 O8 N2	377.09793	377.09845	-0.07633423	377.0979	63889	57003	58687	57139	68033	36855	20709	31954	73646	123713	93790	35548	116403	27437	25536	46044	42341	75031	84044	85689	138760	139949	41142	52167	16106	23192	27132	38660	22662	23510	25709	30430	51218	22655	163353	26127	49375	27622	50363	104462	175402	31307	959	0	0	71655	125474	0	30907	27787	62318	62666	47418	316	91428	57284	30480	44448	35680	46207	46925	82710	126293	86014	33236	84405	34901	53264	81662	66724	115924	25668	20931	14232	29689	21549	0	24471	52221	61523	41358	56992	22874	37378	73482	30589	45209	46531	35632	85163	30005	49188	83577	126448	109639	0	64507	60181	53702	74945	65073	43996	27179	35921	61131	48907	51282	0	21407	124901	Phytochemical	0.47058824	0.9411765	0.11764706
20	C17 H16 O8 N2	377.09793	377.0984	-0.05309399	377.09793	25991	32214	24420	25878	26223	20627	11569	6934	31243	54650	41607	10942	31568	15612	11540	11191	14219	23467	25817	18934	35273	56622	16956	11938	13911	61256	13130	18456	3868	0	8619	7232	21975	4516	55710	3903	12318	16279	15899	44901	53732	18611	1868	1422	838	32213	37620	1034	10027	8349	18823	16696	28386	666	19734	17528	22598	10384	9624	13122	12124	31355	31896	29359	21188	28914	25704	15676	47119	50116	75848	6242	2436	0	7298	8506	0	8006	20374	36959	25002	18867	11020	10455	27007	16279	28448	28687	19546	18926	9362	33687	40205	55919	44167	0	24506	26102	18767	30713	18033	18716	10286	15806	21765	17785	26001	0	15953	53152	Phytochemical	0.47058824	0.9411765	0.11764706
24	C22 H16 O6	377.10196	377.10233	-0.14658053	377.1019	3382	2538	1624	3221	2539	1971	0	0	2908	6678	7708	976	3611	1895	0	0	2945	2244	5169	2323	3530	4506	1860	0	0	16059	0	5747	0	0	0	0	0	0	8550	1135	0	0	1798	2682	7594	0	0	0	0	3558	7792	0	1023	0	3079	2275	2904	0	0	2325	2629	0	1606	1762	1565	3699	3283	1273	1854	3918	2448	2342	20802	11955	25284	1097	0	0	0	0	0	0	1614	5608	3009	4016	1741	3269	4037	0	3283	2235	1291	2019	0	0	1822	12395	8307	0	2699	2098	1826	1493	3485	0	1216	2399	4345	0	2673	0	1412	3101	Phytochemical	0.27272728	0.72727275	0.0
22	C22 H16 O6	377.10196	377.1024	-0.07103697	377.10193	6161	7654	6383	8211	5693	2472	2000	2973	7005	18851	23747	0	5653	0	2534	1786	3168	6446	5714	9351	13815	6740	2360	1495	1938	45265	1464	18319	0	1033	1910	0	1948	0	24308	1491	2016	2156	1224	11421	19404	2088	0	0	0	11113	15128	0	1875	0	6337	5132	2082	0	4940	2620	2601	2801	2890	2603	2365	8251	4307	4800	3101	6201	6519	2660	47830	35078	52722	0	0	1110	0	2117	0	0	5168	9930	3314	11518	3505	12773	6557	2297	4846	6086	4087	3942	0	4699	4573	22073	13294	0	5790	7322	8871	5962	4165	2299	1521	2658	7383	2036	7240	0	1758	4752	Phytochemical	0.27272728	0.72727275	0.0
6	C14 H20 O10 N2	377.11908	377.11966	-0.076424226	377.11905	8508	10857	3002	11030	5886	3470	4044	6381	1716	12368	5650	6515	1413	0	3973	5640	6965	8152	9937	8024	12548	12620	8780	8512	2713	6157	3693	0	2983	2598	5886	3467	12910	12529	17200	4786	4905	4241	8816	6842	29954	5157	0	0	0	7052	14516	0	10891	0	8213	9398	6188	0	6249	4293	2868	6627	5129	7252	3193	6456	10003	0	1660	7914	6617	13668	6150	7092	9812	10845	10518	3518	32390	3005	0	4773	7538	0	4417	5241	3950	4646	7434	0	4794	9299	5960	11832	8128	3558	19370	10595	11138	0	8660	6596	3674	5619	4184	9801	5574	4580	0	8247	4250	0	4459	3731	Unclassified	0.71428573	1.4285715	0.14285715
8	C14 H20 O10 N2	377.11908	377.1197	-0.008332274	377.11908	15621	18922	6655	11999	13702	2136	9547	12260	20272	19994	16278	9580	19349	1364	12555	4023	10362	12219	18854	21321	21345	28599	9055	16249	7155	14568	9593	14361	17458	12843	14216	18522	23969	19439	23716	13576	24016	11981	15551	28419	66197	11121	0	0	0	16485	23207	0	21606	16889	15884	14700	15047	0	12355	4518	6489	8264	4736	15313	0	22185	16056	14574	2990	3564	17841	19130	12594	21569	21549	14047	14914	10995	83598	6739	0	12163	14491	15195	10993	12283	8111	20092	7488	0	10540	24535	13367	2256	0	0	27959	23109	26646	0	21122	17352	9876	13130	0	20274	5439	15028	0	17170	10500	0	9564	17388	Unclassified	0.71428573	1.4285715	0.14285715
26	C19 H20 O8	377.1231	377.1235	-0.16349274	377.12305	28565	23074	22044	27299	30942	23270	5102	15699	35185	47040	18127	8702	65767	16864	17250	16655	9142	47024	45955	40135	42545	40014	22384	18364	12498	27820	5924	11700	12058	8404	13404	10567	17901	10383	53689	11429	20263	13036	11764	31817	26053	13517	0	0	0	21828	24912	0	15814	12362	25231	29920	22376	0	41347	37412	17424	12612	10992	11051	17859	17558	57975	31436	12668	36316	15442	8618	36215	58448	50946	14384	11366	7688	8241	14535	0	12727	22317	22213	22003	18492	7936	16780	47854	14354	23218	14318	15667	10424	17207	13760	22889	23323	51674	0	22782	25557	21096	40609	42594	19175	13127	9630	17564	12919	19903	0	11967	58977	Phytochemical	0.42105263	1.0526316	0.0
18	C19 H20 O8	377.1231	377.12354	-0.059539072	377.12308	672429	630166	617934	596478	616600	462358	264171	436934	622828	1518860	660135	259913	959628	383192	387465	404903	240354	887071	819178	1267731	1117079	774000	442194	467844	325684	1085174	241536	583170	392247	319354	385838	389342	494672	395774	1545108	372338	541650	348380	277706	966947	608208	303432	22223	4378	4627	658838	534586	6212	408007	333033	627938	664769	470538	5189	837651	502468	330068	459952	411775	252199	412427	651262	933120	606712	271211	696443	421310	262870	923783	1607553	1329120	434368	320535	353604	217164	399316	4435	299353	518829	372778	467424	552608	309709	556691	600235	379158	410087	330949	403671	297867	500368	573769	548111	471251	747327	7873	613717	579516	541881	527584	488014	392439	285308	456108	366016	376303	423279	5375	317316	931827	Phytochemical	0.42105263	1.0526316	0.0
24	C19 H20 O8	377.1231	377.12344	-0.12945509	377.12305	45375	45963	40171	46422	61612	34800	10099	26289	64751	91931	33654	21693	112233	31060	29226	26476	18213	68339	66211	69298	71418	65738	41367	34944	22260	58051	12598	27338	24606	19419	18223	20775	34026	19357	99716	21352	33938	21934	14195	50901	48061	23083	5764	2789	0	44879	48682	5214	23503	18416	44197	41925	39873	0	82408	62405	26142	35139	23731	12225	30202	36781	97866	59554	21737	73393	26825	20131	63604	101698	92986	24915	18867	16338	15309	25210	0	21155	51723	30296	44776	34738	18175	31642	82765	36951	39403	25708	30103	23098	32379	29211	33527	43050	59475	3949	47248	43771	49137	64521	70329	27349	23191	24790	36704	26604	42929	3196	20746	100178	Phytochemical	0.42105263	1.0526316	0.0
10	C19 H20 O8	377.1231	377.12363	-0.06795735	377.12308	546290	256277	236787	447952	328648	116008	147102	517662	419142	939758	598172	315218	399136	105045	150625	242614	362764	396658	457206	887662	948094	558546	382008	490186	112497	902044	163810	223443	179020	184550	191478	216367	431414	339368	1083694	187824	432068	343564	449076	670862	730074	122802	8533	3139	3772	502154	617186	3134	409318	188863	510496	545560	271324	2768	466802	154073	105424	452774	213435	208077	276131	432734	411816	202956	215552	365614	122659	426520	491634	1180562	1444042	200390	194459	188479	172434	206796	3853	150347	467342	167805	475538	422418	172626	400958	436702	235514	410906	241986	279388	444570	152839	167045	468102	427450	550532	5069	509742	497468	192821	352810	330702	394438	172427	239140	196727	346146	327786	2964	337164	437198	Phytochemical	0.42105263	1.0526316	0.0
20	C19 H20 O8	377.1231	377.1235	-0.08463196	377.12305	291158	317162	304461	265252	345744	262111	121880	209719	372551	667878	273490	121320	558252	201110	197962	227146	108713	483248	426698	564603	533107	379414	233559	231346	194358	457319	119012	246304	194371	157132	176684	177314	245209	169717	743962	141416	271347	172966	127366	402963	284690	161684	17112	7386	4610	330563	272232	8277	187393	157179	294881	315889	260277	4939	401596	299812	167651	250665	181840	121000	232609	279265	499656	333366	151026	368743	211830	117990	413571	734314	595147	190095	173829	146073	111051	178528	4839	152195	269354	188581	216878	228433	149875	275525	350448	195876	227409	167186	260426	143686	247590	289247	268550	251510	332188	8890	305306	300176	277759	323836	304883	201324	145969	207757	214917	203607	258405	6273	182503	596995	Phytochemical	0.42105263	1.0526316	0.0
8	C19 H20 O8	377.1231	377.12363	-0.105530284	377.12305	190262	208196	140444	196514	108676	44595	58365	90874	152878	316752	210084	70950	131720	38662	61837	97354	76746	128694	180832	313892	348626	238754	82670	98749	33348	244764	59655	74339	65969	75910	66157	74894	79174	67114	385656	69740	76101	68046	198268	125611	279354	46074	3158	1628	2142	109542	129703	1952	88048	83929	196524	211416	106394	2044	85389	117622	44205	79871	75183	186378	107106	79466	163786	142054	47251	131200	45224	89386	162756	347304	515016	72319	74833	66601	161316	85535	1976	57523	99278	63650	86688	148706	68000	150644	153752	40911	78289	43839	53445	213876	51524	76746	91233	83065	191346	3061	187112	198942	73156	75860	67949	75832	61793	106630	66314	75038	66224	1698	63817	153588	Phytochemical	0.42105263	1.0526316	0.0
12	C19 H20 O8	377.1231	377.12363	-0.057449967	377.12308	1109482	646731	1193192	1140302	749934	266145	365718	978862	930288	2182900	736252	296441	778490	190910	330252	507812	381800	947168	1093718	2204648	2146712	688274	432478	527432	223563	2067650	339397	531899	374184	382849	801054	445504	453879	370209	2739000	368557	423866	353841	860484	1554728	909182	262866	10964	2832	3300	1119198	642336	3563	467186	444027	1136234	583664	661130	3218	989892	618466	233053	494668	424411	492210	558604	1078724	1127924	835970	192099	428284	288930	447030	1143661	2781960	3049464	417724	409744	391797	363637	435228	2264	309937	916020	403542	926184	942780	704302	1003658	880616	503736	829124	253570	294830	480688	365420	419921	939012	440836	1186210	7547	1224906	591762	454078	723188	671940	435086	334484	488936	453688	728556	730304	2518	330182	1088760	Phytochemical	0.42105263	1.0526316	0.0
16	C19 H20 O8	377.1231	377.12357	-0.044842176	377.12308	840349	908346	853405	856293	796532	581021	410567	644750	927890	4050508	972089	425231	1103889	454089	573701	604625	406147	1061156	1104758	1767822	1676253	2121282	663167	705400	453348	1628840	370070	780784	533470	497251	578236	621328	698419	553560	4493566	551767	719631	504557	468163	2799024	2007576	404307	21116	5148	4857	1832934	849479	6459	675190	585551	866076	874379	660858	6063	938589	648654	447209	695032	614271	427155	654264	850584	1151474	781494	352109	899932	527260	418229	1485274	4861992	4078974	665955	606190	532055	403007	651196	4915	463009	724792	576255	590312	771081	501531	875426	814168	455094	636363	479515	523551	572526	619485	725138	771943	1445750	2113600	10417	852651	831880	705636	645426	634469	620532	422126	611005	562502	662359	626978	5906	496485	1210013	Phytochemical	0.42105263	1.0526316	0.0
28	C19 H20 O8	377.1231	377.12344	-0.17999654	377.12302	18506	14719	18053	17764	21863	14318	7411	15688	23241	33524	12056	7621	38764	13226	12215	11686	6258	27427	24385	34871	32241	21490	15055	15159	10291	21345	6918	13850	8957	11063	10699	9102	13300	10506	38357	10922	12208	8334	8505	18731	14277	11298	4073	2805	0	17396	18672	3554	11243	12824	17652	13613	16506	4156	25932	18839	9977	11565	8224	6135	13436	14455	35512	17651	12816	29857	15249	9531	26383	35920	34919	10674	7666	9699	9808	11334	0	9231	14143	14862	15541	12460	11901	13799	22123	14936	13687	8982	12285	9527	12479	14880	14225	15006	23215	3415	14976	18236	13316	25797	26233	12139	9777	13192	17060	10748	14475	1866	8340	33437	Phytochemical	0.42105263	1.0526316	0.0
22	C19 H20 O8	377.1231	377.12347	-0.12520312	377.12305	104213	115407	92676	102052	141308	102251	43753	85079	157994	211083	92454	56887	194303	74263	74206	75935	44787	198162	144899	175247	184199	138449	91903	80809	73176	156383	37437	68105	60968	49441	58697	61351	78399	60414	221483	55233	93548	66446	44058	129060	99793	51374	9830	5639	6146	122011	107189	5215	71646	54362	105925	105860	102655	4562	164592	131565	71159	88365	58838	44472	76545	98443	208143	131724	59281	160798	73174	42778	144727	250042	205614	63812	51817	51995	38099	55443	4797	55222	110119	69220	98295	92074	50801	79064	168634	85249	96656	66928	71472	52406	74992	91905	84277	94318	141768	6353	94878	100958	106249	153919	136188	69087	59688	71504	90394	72340	115515	4979	62403	227493	Phytochemical	0.42105263	1.0526316	0.0
6	C22 H20 O2 N2 S1	377.13184	377.13257	-0.037766814	377.1318	729	762	884	0	0	0	740	0	0	0	805	0	0	0	851	1211	0	0	0	0	0	0	0	793	0	0	1381	0	0	1339	0	0	0	0	0	766	0	917	0	0	0	443	0	0	0	0	0	0	0	711	0	0	0	0	0	0	949	0	1053	866	0	0	0	0	0	632	0	0	0	0	0	0	0	0	34999	0	0	762	1052	0	552	0	683	0	0	0	0	0	0	0	0	0	0	581	0	0	695	843	0	0	1154	0	0	0	0	899	0	0	0	865	Organosulfur	0.09090909	0.90909094	0.09090909
4	C18 H20 O7 N2	377.13434	377.13495	-0.16663615	377.13428	29016	34263	27495	29569	26386	16117	13443	23955	33846	58524	37856	17728	43230	11134	19956	27005	34776	27949	33307	46977	68489	62128	22454	29929	10915	24095	13982	21762	18006	17682	17516	17590	28238	17185	70052	16044	27800	18506	45014	45603	75038	17891	0	0	0	35172	68178	0	21429	22299	30653	25069	19877	0	39303	30545	14193	24093	18933	33238	26166	34226	43305	32949	15078	32834	17677	38353	47634	32946	60585	19157	14475	16299	10534	14847	0	15817	23569	28974	20152	26628	16620	21176	38435	18227	24836	21464	20026	42323	21746	27426	46965	42964	50651	0	30680	34859	28051	38258	35843	25275	15178	35561	29850	27733	26487	0	15074	41467	Phytochemical	0.3888889	1.1111112	0.11111111
20	C18 H20 O7 N2	377.13434	377.13477	-0.060183916	377.1343	29330	32313	31598	31144	36871	26735	22247	21121	25465	55647	47057	17400	35702	17803	20839	26509	16031	31159	43571	36782	52893	51046	24262	26794	24503	78424	22290	31847	23747	18605	20421	20227	32608	19683	65209	16724	34684	23155	23451	51330	51298	22583	2169	0	577	30984	31297	1215	29874	18812	28547	29175	27174	0	25204	23436	16674	29392	21953	16151	30473	32963	23518	23784	16265	23656	23714	26296	74569	75638	110014	16573	17478	11866	21980	17280	426	16130	36118	27878	26184	24543	13591	39244	30328	23027	38023	30033	25705	40748	32332	35016	48095	36763	42907	0	31050	30457	24899	27809	27694	29075	19342	23934	19653	30032	22509	0	31237	43836	Phytochemical	0.3888889	1.1111112	0.11111111
10	C18 H20 O7 N2	377.13434	377.13483	-0.12922183	377.13428	260284	247570	221129	218006	161637	119756	154091	239016	165752	429554	233417	145177	218599	91415	158732	220568	174555	210140	239741	389728	445452	417452	173599	279106	145416	171659	149393	164076	201724	185607	186829	212528	282755	198072	501785	184509	267654	150634	226485	436259	447157	120726	2234	0	280	296902	328986	0	234664	200534	247150	259228	146374	817	223625	139826	94180	239569	207650	201865	262896	262427	215623	174790	91246	187409	139642	239729	266342	373219	393899	200402	176506	161573	153006	183725	0	142420	202181	181726	175265	203317	162091	172874	151629	111208	194931	137471	152534	264148	206066	247643	355719	262387	333629	648	259118	238248	121113	141964	140847	229141	141343	261984	236189	225827	126265	0	162993	263752	Phytochemical	0.3888889	1.1111112	0.11111111
12	C18 H20 O7 N2	377.13434	377.1348	-0.1614424	377.13428	234210	225358	239114	235903	161570	122524	215632	231226	181585	322182	192818	134401	176790	77485	170819	211486	203064	217074	267416	343604	387030	403823	191653	262102	168816	165316	158707	174258	202639	160422	205561	193071	279383	164876	454366	173840	238361	174985	237213	380864	411092	122041	3589	591	277	277739	318636	486	207867	185146	233187	236730	146423	475	219758	125286	103177	243309	225176	208764	232688	263065	236012	163356	89756	186903	153398	225281	256704	353577	341795	182768	155552	148294	129895	161255	0	150988	223800	172127	197354	206206	163784	196660	151820	109812	223868	132284	143930	345867	206900	281487	375094	240254	251658	960	234547	242979	128400	145042	132014	216105	145299	220577	178751	248971	131827	451	198382	255709	Phytochemical	0.3888889	1.1111112	0.11111111
16	C18 H20 O7 N2	377.13434	377.13477	-0.1433956	377.13428	119856	110682	111484	116750	102882	93695	105136	95615	92963	154489	90535	71132	124337	67725	93155	113170	88646	146454	133330	138899	144793	184633	100848	150055	118294	70494	88550	86107	89763	72462	84401	103788	163729	84675	164504	95014	161331	91827	91417	158470	147511	76632	1916	375	319	105787	101772	556	124096	82300	128967	120456	95976	852	104279	77148	70337	126280	89083	72834	131973	104059	125755	78271	52922	119349	91709	92908	83940	139600	115410	95363	74061	64035	79930	83189	0	71257	117490	101213	100516	81926	70714	87047	83794	69835	131772	91746	91550	187153	115348	141966	236397	113003	142089	1045	108419	114163	65263	73201	83456	145503	69588	85844	66176	173744	84163	397	111318	154844	Phytochemical	0.3888889	1.1111112	0.11111111
18	C18 H20 O7 N2	377.13434	377.13474	-0.13006048	377.13428	58852	61571	53664	55703	53380	50570	63122	59607	41793	83921	48074	28242	53932	40472	50689	65480	34264	67774	77052	55794	70742	92962	48794	69849	54600	30510	55623	39010	56417	47011	58406	55319	89483	52011	84651	46921	74650	53535	46951	78682	60444	39959	1280	427	458	49672	40459	583	70010	41170	58953	63530	48863	806	47353	39801	33408	68638	36050	34075	75122	47953	49159	41197	32821	55055	46144	51751	27689	53218	58966	42740	34609	31876	37911	47714	294	38022	62848	48275	50616	35131	37878	40527	48417	45326	67681	57226	48759	71642	69449	70610	105808	59147	68929	717	65415	54203	36361	37236	46048	82268	36418	43314	30829	67714	38538	527	67290	65501	Phytochemical	0.3888889	1.1111112	0.11111111
2	C18 H20 O7 N2	377.13434	377.13498	-0.16508877	377.13428	9855	11322	9087	8424	13616	0	7604	8486	17518	13315	15114	10676	22078	6383	8458	2451	11562	14100	13220	10907	24077	19595	10754	8314	3450	5695	0	10034	9275	4718	9080	6327	14034	7039	25756	7494	9831	7252	13135	12711	25012	8363	0	0	0	8699	14529	0	8292	5352	7881	11776	12126	0	16948	10108	5900	9403	4893	10629	3458	9284	21438	15419	6879	18842	10494	18271	13018	10809	17645	7697	7968	5291	1478	7998	0	6805	12675	7011	10243	6579	6701	5839	13606	7530	12076	11696	9026	17177	6158	10003	17169	16492	5447	0	11573	10451	12625	12571	12008	5904	9644	7555	8384	12289	8910	0	8121	20539	Phytochemical	0.3888889	1.1111112	0.11111111
24	C23 H20 O5	377.13834	377.13873	-0.10219532	377.1383	9398	10223	6723	8210	7244	3796	0	3773	8321	15727	34888	4530	8424	5742	3213	5134	4870	7330	10345	16302	18339	8646	5403	6533	2695	65495	2929	26430	3241	5013	3186	3212	4325	2013	21740	3115	5417	3623	3402	13158	28561	4246	0	0	0	10877	20116	0	2352	2863	8303	10802	9309	0	4487	10201	6384	4777	3964	5870	4481	14810	7932	5368	5055	15766	10774	3621	74337	41693	74593	3260	2302	1812	0	3004	0	3796	9250	10926	8328	12937	4489	18846	10303	5758	6056	6843	5842	7028	5742	4532	8414	14829	11838	0	10096	6031	10773	5943	11380	2142	3403	8078	8536	4315	9902	0	4746	6675	Phytochemical	0.2173913	0.8695652	0.0
26	C23 H20 O5	377.13834	377.13867	-0.16061829	377.13828	3666	2638	3717	2605	2377	0	0	0	0	5364	5307	0	0	0	0	0	0	0	0	0	5542	4029	0	0	0	17391	1991	6954	0	0	0	0	0	0	5177	0	0	0	2304	4228	6646	0	0	0	0	0	0	0	0	0	2448	3397	0	0	0	0	0	0	0	0	0	2966	2635	0	0	3987	3601	0	17634	9875	21243	0	0	0	0	0	0	0	2602	0	0	4907	0	3521	0	0	1794	0	0	2335	0	1694	0	6180	0	0	4283	0	0	3932	0	0	0	0	0	2435	0	0	0	0	Phytochemical	0.2173913	0.8695652	0.0
22	C23 H20 O5	377.13834	377.13876	-0.038410205	377.13834	12427	17889	15212	11350	15641	8274	5260	13460	13048	31544	49944	5711	8132	8711	6934	9942	9551	13549	13114	27216	29333	17088	10506	9636	7228	113882	4018	37894	4157	6600	5975	5551	8175	5564	25533	6805	6347	5982	7122	29364	35738	10180	0	0	0	19599	22453	0	8037	6455	16539	14978	14417	515	7585	6958	11447	8381	3643	10725	9731	17110	13179	11725	9057	13833	16090	8970	105655	84801	130222	5977	5132	3704	3662	4715	0	3460	11595	20236	8822	18277	8440	22533	21687	16782	12144	11432	8204	14077	13108	9544	7775	18161	19506	0	12644	13259	16157	14233	12095	8718	8425	10443	10189	7132	14295	0	6971	13950	Phytochemical	0.2173913	0.8695652	0.0
8	C17 H20 O6 N4	377.14557	377.14603	-0.30777532	377.14545	11362	11063	8953	10977	5451	4043	7013	9325	5515	9483	4160	5727	5427	2718	8852	11995	11074	7181	8717	8698	12400	14165	8530	13929	8810	1547	7518	4062	6805	7418	8190	10240	10135	8904	11037	8703	12268	7934	12672	12904	14528	5691	0	0	0	10120	12936	0	8755	10076	8391	13379	5623	0	5453	2951	4948	11750	6745	9116	14479	7925	6290	6674	5996	7070	0	12556	4213	6859	6108	9573	11180	5128	6324	7766	0	6303	10810	15866	7962	7528	6695	6658	5673	0	12078	5609	6116	16704	0	11782	26402	7990	11685	0	11456	9477	4306	4090	3748	0	8122	13888	0	13095	3419	0	10291	6158	Peptide	0.3529412	1.1764706	0.23529412
6	C17 H20 O6 N4	377.14557	377.14612	-0.2260704	377.14548	11228	12608	9880	12147	3978	4974	8250	11804	5285	10433	8945	7162	4530	2922	9007	13396	11458	7676	7203	11729	12802	17989	9671	18969	8577	2265	6878	28607	12848	10893	12380	12312	15049	8784	13958	10502	14773	10763	14804	13771	11462	5229	0	0	0	12055	15431	0	13169	8833	12336	10232	5605	0	6656	3100	4505	15093	7370	7569	14385	8223	9723	5785	4887	5701	7951	15275	3074	6067	8012	9911	8190	7629	6711	8263	0	8347	10303	15807	8002	5404	6769	4909	6070	4924	10360	6284	6393	27530	12239	17498	0	9447	8418	0	10108	13287	4498	3707	4493	0	7830	13901	9283	15489	4185	0	9282	9447	Peptide	0.3529412	1.1764706	0.23529412
16	C17 H25 O4 N2 S1 Na1	377.15054	377.1509	-0.17295842	377.15048	5797	5510	6222	4763	3850	3562	5288	5177	3006	8474	7731	3458	6972	1798	4084	2580	0	6099	2976	9287	14501	7526	2697	6844	2858	15591	2608	5077	3743	4417	2560	0	4034	5133	11260	4092	1892	2720	5296	8892	5699	2213	0	0	0	5312	3884	0	4763	4792	3502	3894	3102	0	3556	5098	3936	5575	4140	3173	9319	8577	3204	3999	2944	2889	2075	1606	14008	20093	19575	4621	5205	4153	4805	3039	0	4635	3417	0	3506	3443	3306	6668	3332	3679	5063	3180	2003	0	5382	4337	0	3948	10897	0	5766	4632	3317	3814	3930	3910	3503	4419	0	0	3367	0	4857	3351	Organosulfur	0.23529412	1.4705882	0.11764706
24	C20 H24 O7	377.1595	377.15982	-0.14155342	377.15942	154937	155492	138775	157525	163169	129727	65309	126597	168620	247816	108217	87294	294121	111519	117366	139898	96052	223686	205966	244201	234758	157554	135360	160336	88153	208348	51838	98924	101098	105764	99716	110938	138987	122337	279051	109508	172276	96126	88520	169668	127598	73416	14114	7077	13581	134301	114055	10267	130560	103665	146168	154703	130974	9056	219359	180122	91349	151388	97510	66548	146224	118897	234351	167970	76326	234494	118801	97849	206167	327400	296020	132745	112323	102805	76362	113924	9077	93045	156898	65315	134125	84200	85179	104331	189216	98000	150942	87085	114187	111431	133497	132961	176663	84238	137781	11198	155412	143387	160998	214256	203309	137675	84432	128723	83372	117276	110913	9884	92726	249704	Phytochemical	0.35	1.2	0.0
12	C20 H24 O7	377.1595	377.15997	-0.15368178	377.15942	1157824	1285518	1177716	1199176	284406	227494	451561	1229108	352333	1199594	461779	716652	297262	178003	781382	1384960	1046422	330522	866072	1672006	1509064	597500	920684	708088	699084	1750482	455812	385927	992100	1030784	968608	1143742	1082160	837608	1379428	992580	943986	803814	1174464	1107062	1407642	573460	14187	5611	6416	1040424	579784	6545	1185164	1233100	1189006	1189876	573590	6058	826878	313679	250797	1225020	473997	535071	787136	771232	410976	321677	190648	320949	525214	573381	842699	2138564	2358002	885630	933764	1119064	1111230	1098976	4654	793394	1049714	334150	1047472	838342	990338	758550	382697	250751	998534	454874	602994	688829	441624	927954	1239292	316111	981146	9991	1212784	1190502	346658	357074	344503	1081796	783166	641067	402132	917300	298430	5649	913964	781136	Phytochemical	0.35	1.2	0.0
26	C20 H24 O7	377.1595	377.15988	-0.15413953	377.15942	68202	64769	66426	59223	77599	52396	19721	69230	72967	82398	44506	41828	133729	53859	58176	74666	57085	104524	100199	102160	115694	62970	65703	71309	40448	75896	26791	47796	56812	57941	55185	55017	73061	51506	99162	63413	76513	42728	47718	63938	56621	52216	8622	16753	15623	61915	49137	18665	59078	56833	65559	62470	56832	16516	82971	85426	41506	72007	41460	36940	76602	36686	90264	63717	33890	90083	45234	50569	81718	127940	120808	58953	49577	56211	48306	56857	21155	44958	70218	41062	58353	36485	41550	43267	86508	52301	63165	47210	46762	50303	68372	52752	89962	37019	60505	12781	58674	75195	47580	94483	102115	67754	41402	55790	33810	55030	50908	15608	43679	96975	Phytochemical	0.35	1.2	0.0
14	C20 H24 O7	377.1595	377.15997	-0.091820896	377.15945	2412684	2557704	2336664	2401542	1680800	643663	907999	2569910	909144	3123524	2156102	888887	953487	513863	1838090	1294881	1079989	949985	1050850	3960420	3974122	1199660	2125720	1320340	1694148	4807466	1779842	1020417	2028484	2399926	2116648	1238272	2392138	1902930	3433922	2218442	2127752	1822174	2336100	2884898	1410350	1357392	31225	7825	6079	2125452	1149345	7816	2466102	2201838	2416180	2225702	1531402	9462	1002589	784004	1272784	2615862	990174	1037600	1287108	1733886	1021373	921421	505768	885789	1397304	2218016	2043042	5315530	5526514	2089796	2090636	2264168	956918	2455742	5198	1697214	2520604	747709	2415980	1797950	2128842	2113570	979907	588638	2432736	664515	1552598	1373113	966102	1876580	2753848	676382	1851732	16604	2435302	2330408	728662	972850	942573	2091304	877343	2692134	720164	2075036	704085	7374	1971806	921879	Phytochemical	0.35	1.2	0.0
20	C20 H24 O7	377.1595	377.15988	-0.08304351	377.15945	1380445	1472688	1447620	1234311	1191445	1072068	694786	1307992	1285146	2799705	1236502	766436	1782146	802717	1123461	1178948	672944	1608881	1651660	2868782	2653022	1496092	1146821	1436806	920500	2446566	674579	1208135	1200347	1096391	1076344	1124786	1386288	1156933	3021175	1030511	1588157	877054	749786	1876699	1224061	827722	39067	17410	10286	1242115	960954	17857	1259917	1013502	1431789	1490632	1025044	14311	1467458	1155135	746996	1278105	1082124	661059	1239042	1178372	1621198	1218821	561252	1335273	887608	784669	2004138	3643707	2752969	1285134	1162864	1157021	776664	1160064	10113	933763	1181577	701676	1016528	753121	898243	1163322	1152497	733769	1066193	811374	918022	928107	1343353	1382264	1618731	880600	1160487	20553	1395769	1433387	936028	1193013	1207640	1215971	881553	1349884	770979	1135263	852622	18180	903762	1917293	Phytochemical	0.35	1.2	0.0
18	C20 H24 O7	377.1595	377.1599	-0.0543814	377.15945	2301554	2378572	2216533	2149893	1807074	1457361	1291106	2194141	1654272	3943922	2238560	1248784	2382473	1142535	1680293	2063398	1310712	2348230	2515306	4216480	3906586	2220243	1858027	2290441	1357173	4249424	1230674	2155566	1928421	1839394	1874995	1934970	2244060	1979822	3812555	1874013	2290610	1540338	1537950	2984440	2295505	1342499	51080	12119	12037	1990389	1574999	14585	2187189	1839473	2276001	2214561	1535704	15300	2301460	1564254	1163816	2196426	1616332	1293741	1982399	1935662	2310080	1754705	927231	1946723	1464969	1531290	3415515	5649524	5200087	1943535	1671481	1876224	1394524	2046133	8787	1411973	2000193	1194406	1756569	1388447	1460254	1846259	1790152	1268593	1731596	1404172	1518386	1548620	1961421	2202021	2449271	1277231	2058577	22360	2226743	2114792	1510209	1658514	1575503	1991793	1326245	2075466	987649	1624441	1255267	13201	3015568	2289027	Phytochemical	0.35	1.2	0.0
0	C14 H24 O8 N4	377.1667	377.1673	-0.11451816	377.16666	0	0	0	0	942	27503	0	1838	0	0	0	0	0	0	0	0	0	2586	0	0	0	0	0	0	0	0	0	703	2550	0	2446	2353	5395	3463	0	0	2093	0	0	0	0	2241	0	0	0	0	0	0	2044	0	0	0	0	0	514	0	0	0	0	0	0	0	0	0	0	1501	2375	0	0	0	0	3797	2340	0	0	0	0	0	0	2672	0	0	0	0	0	0	0	0	2166	1044	5857	1465	1805	0	0	0	0	0	0	0	0	0	0	0	0	1374	0	0	0	3591	Peptide	0.5714286	1.7142857	0.2857143
20	C19 H24 O6 N2	377.17072	377.17108	-0.22432299	377.17062	15803	16258	22965	15964	11487	19643	17936	21413	14061	21108	11402	8086	14567	12720	13539	20142	11199	20880	20730	21528	18727	31846	15751	24735	18040	11777	14164	17740	17892	15903	20330	20196	36217	20773	20015	16721	38625	12925	19572	27232	18988	12133	439	0	0	15683	10312	0	23812	17226	23821	21198	13709	236	9549	5364	8671	28117	16241	11208	25894	15750	12130	8844	3975	17611	15508	22545	11349	18848	17802	15982	16333	12439	9868	17608	0	13467	14535	14381	12363	10595	15944	11179	7595	7806	14830	14938	13985	19593	35776	35640	39992	16540	18736	0	16996	21647	8951	3649	8900	24612	12486	19549	11729	28623	9202	0	17441	17815	Phytochemical	0.31578946	1.2631578	0.10526316
26	C24 H24 O4	377.17474	377.17514	-0.085128374	377.1747	10169	7397	8974	7030	8519	5898	2145	9012	8493	9249	21052	5224	8941	7513	0	5356	0	6327	12104	14894	12500	11991	0	9501	8146	55358	3164	20271	6076	6742	8932	0	9544	6670	14117	8056	7429	5511	6603	14362	19508	6442	0	0	0	11868	10780	0	7942	6654	10066	9917	11889	0	7250	0	6104	6439	7052	6797	5888	6470	5418	5035	3739	11177	18314	6958	53225	24764	48939	6511	4998	0	0	6930	0	6094	11312	10672	9003	9285	6879	14641	9957	0	11092	5876	7418	9273	6722	3690	14284	8496	11694	0	11109	10643	9751	12667	10852	5828	2782	6421	7309	7006	14945	0	7504	6579	Phytochemical	0.16666667	1.0	0.0
24	C24 H24 O4	377.17474	377.1751	-0.119505815	377.17468	23440	24562	19934	21375	22510	12468	11388	19010	19738	26958	45642	14103	16452	17358	13678	17830	17140	23961	26982	41059	36142	25358	17882	21502	18959	130195	9465	42090	16562	18314	16695	20479	21961	16558	35054	17088	20292	11419	16153	38174	46658	17169	1736	0	0	29847	28203	0	19816	19241	22997	24635	22358	0	13352	16722	18066	21464	17326	17053	21227	26350	14910	11412	8614	25892	31302	17150	121893	75822	112072	15119	15501	16409	10656	19051	0	14049	23285	25667	19765	22336	14330	30722	19243	14656	27497	19569	18043	21645	16664	15217	27249	23965	23860	0	22062	21420	17875	21001	19753	21988	12563	28801	18512	21905	17437	0	17227	13428	Phytochemical	0.16666667	1.0	0.0
2	C18 H24 O5 N4	377.18195	377.18256	-0.22923623	377.18185	4817	4234	3785	3361	1380	0	4261	5405	1889	2890	2402	3454	1871	930	4439	2058	6778	2792	3908	3088	4266	6768	3698	6631	2381	0	0	3842	4646	3133	5355	4412	6560	4943	3279	4196	4707	4512	7855	3525	4400	0	0	0	0	2379	3031	0	4408	3707	4007	4278	2296	0	2566	782	1386	5168	2260	2784	2086	1932	1474	2114	0	1795	2501	9522	0	1696	1924	4030	3989	4144	1578	3513	0	3242	5652	12148	4689	1647	3135	2251	1434	2080	6547	2885	3122	21038	5315	5788	13966	4166	723	0	4363	3116	1485	910	654	4437	4240	3314	2311	6278	1389	0	5890	1478	Peptide	0.2777778	1.3333334	0.22222222
18	C18 H29 O3 N2 S1 Na1	377.18692	377.18726	-0.1803214	377.18686	5201	7082	7046	9657	5189	5588	5077	7874	4179	11856	9471	4784	7089	3938	6739	11448	9895	5212	8822	18669	18390	8163	7759	8237	5144	21988	5034	5851	8296	7649	6258	6886	10607	7012	15469	6502	7717	4516	7058	8553	11674	5235	0	0	0	5722	7112	0	8899	8762	10462	7683	4886	0	8848	6871	4609	5660	6678	6133	10965	4131	7095	5516	5119	7077	4698	7650	17239	29521	28885	4949	6052	6117	7537	7079	0	4235	13130	4959	8138	7765	6161	4874	3789	5586	6635	3118	5975	9216	7496	8884	10040	4187	5115	0	7677	9463	5942	5547	6101	6924	7036	7994	5310	6336	4324	0	5173	6800	Organosulfur	0.16666667	1.6111112	0.11111111
22	C18 H29 O3 N2 S1 Na1	377.18692	377.18735	-0.10816556	377.1869	6859	6476	5768	4449	8186	5888	1447	7338	5907	13673	4421	3251	7696	6446	4778	4267	3500	7905	7647	17635	12804	5960	4964	7445	2897	15263	2122	6020	7360	6113	7228	4614	6084	6941	11702	5984	8687	2456	3511	9144	3875	4460	0	0	0	4872	3353	0	6965	4974	8054	4294	6380	0	7110	6130	4844	5819	4497	1900	6241	6531	6559	6196	0	3687	3616	4147	9334	22049	19687	5429	6736	6412	3969	6584	0	4517	6679	3974	3522	3426	3497	3621	5160	3137	4260	4603	3896	3749	4545	5467	5468	3786	5963	0	4738	5247	5555	4347	3213	5374	2131	5811	3124	3918	3793	0	4536	4091	Organosulfur	0.16666667	1.6111112	0.11111111
20	C18 H29 O3 N2 S1 Na1	377.18692	377.18735	-0.08219815	377.1869	13903	14301	13228	12522	9030	8116	4904	10616	10233	20649	13658	4876	15602	3621	7885	11177	7078	11630	14287	27490	30190	9951	7603	9267	5804	21411	3440	14233	7571	9259	8303	8947	14709	8139	14226	7812	10464	5655	7466	12805	13520	8131	0	0	0	7664	6105	0	7950	8949	9061	12205	10912	0	8083	10292	4105	11587	6498	5956	11672	8218	9904	8514	4482	9422	3791	8706	22837	37747	39660	10209	9440	10809	6994	6063	0	6517	7554	4275	5187	5247	5875	9547	8626	3701	9823	6479	7224	7635	9999	13966	13783	3500	7919	0	7914	9702	6457	6317	7285	11338	6597	8729	6752	11105	8131	0	5028	11002	Organosulfur	0.16666667	1.6111112	0.11111111
4	C16 H28 O8 N2	377.19183	377.19238	-0.2557485	377.19174	4567	3607	4863	2002	2898	21805	2852	0	5206	0	0	3269	6847	3533	4378	5790	5322	7458	3756	0	2653	5701	4962	4538	2862	1273	2392	0	2819	4327	2840	2221	5759	3431	2307	3001	5895	2353	7684	2490	0	1476	0	0	0	2354	2285	0	3237	0	5000	2597	3679	0	5607	2200	2386	5039	0	0	5884	2019	3936	3880	2085	7091	2304	2190	0	1837	0	4237	2100	4413	1506	3513	0	3625	1912	0	1949	911	1665	1922	3660	2751	4981	3712	1991	7619	12590	9147	15112	0	2813	0	2781	1899	2397	2393	2235	3154	0	3108	0	5138	3377	0	4365	6643	Lipid	0.5	1.75	0.125
22	C16 H28 O8 N2	377.19183	377.19232	0.1524094	377.1919	3182	0	3156	0	0	0	0	3060	0	3488	4674	0	2112	22762	1607	2396	2255	0	0	5410	0	4006	0	0	2380	0	15242	5164	0	0	0	0	0	0	0	0	0	0	0	0	0	2128	0	0	0	0	3027	0	0	0	0	0	0	0	0	4688	4890	3806	4652	0	5940	8436	5058	2190	40004	0	0	2138	8068	9806	0	0	0	0	5433	0	0	0	0	0	0	18916	0	0	0	1252	3102	0	0	0	0	0	10950	2514	3348	0	0	0	7370	0	0	0	1946	0	6326	0	0	0	0	0	Lipid	0.5	1.75	0.125
22	C21 H28 O6	377.19586	377.19626	-0.11134505	377.19583	1468442	1555339	1349779	1500678	1299545	1316732	883878	1427749	1314681	2443684	1317099	802555	1351695	865228	1262912	1336670	889475	1872931	1709109	2967430	2795091	1596246	1178164	1476127	1210691	2326306	746813	1322696	1579732	1297409	1313279	1462171	1822077	1379366	2586032	1493418	2008340	1021809	916964	1729483	1161283	943055	38248	9230	7017	1241235	852453	13340	1440937	1185769	1477130	1474335	1162010	9446	1720380	1228093	804356	1516315	1244102	639450	1455472	1177204	1522961	1304035	593309	1437846	1073903	924325	1893682	3761828	2726515	1331818	1172802	1310030	828768	1294489	6439	1030662	1207792	692353	1003207	788321	1066862	1067236	1157364	878572	1238844	922954	1140049	1002945	1567022	1586360	1672164	888188	1458171	18231	1324365	1490807	946042	1455315	1327880	1767842	866099	1549009	806334	1304420	979564	11800	944011	1791082	Lipid	0.2857143	1.3333334	0.0
24	C21 H28 O6	377.19586	377.19623	-0.13795102	377.1958	571182	594759	537363	574915	517549	512654	283398	551421	549122	932777	441163	293548	845818	375332	465974	517134	287907	799675	928411	1044703	946113	639972	481454	616072	423389	752474	241258	469703	546767	486056	491274	543720	696918	520341	1066980	564216	912884	382936	310395	687589	397633	339998	17712	6280	10565	504706	300702	8393	588251	421988	573028	572276	445531	10469	736350	552467	295797	639928	487318	205623	591713	442115	690720	522700	222789	685650	427319	294142	674232	1323867	930325	555263	510760	488562	305131	490997	6546	388640	494189	246445	386500	291627	387438	398084	500501	326836	489138	323080	456213	359503	657983	664078	758450	325821	571019	10403	566061	580938	371868	512015	524009	617905	312564	630299	305379	508885	321455	8812	363032	803158	Lipid	0.2857143	1.3333334	0.0
26	C21 H28 O6	377.19586	377.19626	-0.14586966	377.1958	120088	118576	113372	105047	127333	87230	56934	136205	120694	142225	81605	68926	210298	95330	114301	120747	88311	162225	189538	190737	186552	119526	99682	126706	99469	150703	62635	82658	121452	113307	120455	122448	140857	107684	179312	136696	173306	79480	84831	114259	96597	86874	7042	0	0	88134	62918	5749	122482	98185	119170	110249	108819	0	164450	126234	64784	141870	92469	49614	129667	73269	165182	108752	50493	146232	102663	90724	142587	226292	211209	94931	103524	115529	74844	115794	0	79060	117034	63152	88594	60848	80365	75919	119939	73738	119539	85529	96471	106647	129953	132890	170512	62921	103006	0	113538	126495	82075	138936	150501	148585	75770	125933	66199	101198	78126	0	83280	155993	Lipid	0.2857143	1.3333334	0.0
28	C18 H32 O6 S1	377.19925	377.199	0.009472167	377.19925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4806	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7665	0	0	0	0	0	0	0	0	0	863	34816	18039	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.33333334	1.7777778	0.0
2	C15 H28 O7 N4	377.20306	377.2037	-0.19584876	377.203	2849	2305	1736	2179	329	13661	0	580	0	0	1680	0	405	0	450	596	583	2645	985	0	0	1280	511	1188	619	0	0	31990	822	0	779	594	1868	1096	468	641	882	655	843	0	0	0	0	0	0	0	0	0	636	0	1397	2643	0	0	0	211	0	1333	220	0	647	0	0	0	0	682	714	477	0	215	0	527	476	0	0	0	0	0	348	234246	0	0	0	0	0	706	619	953	542	0	49520	19040	3546	13417	0	0	1678	1634	0	0	0	621	397	0	0	1071	0	0	511	0	Peptide	0.46666667	1.8666667	0.26666668
0	C15 H28 O7 N4	377.20306	377.2038	-0.3062002	377.20297	0	0	0	0	0	8918	0	1571	0	0	0	0	1766	0	0	0	0	2508	973	0	0	0	0	0	0	0	0	6869	1940	0	0	0	4556	0	0	0	2227	0	0	0	0	2949	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1033	0	0	0	0	0	1847	2446	0	0	0	0	0	0	34063	0	0	0	0	607	0	0	0	0	0	10978	4182	0	4322	0	0	0	0	363	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.46666667	1.8666667	0.26666668
22	C23 H29 O3 Na1	377.2087	377.20917	0.23324604	377.2088	3194	2377	4082	4110	1361	3161	3053	4297	1215	2490	0	3997	0	0	3567	6009	4395	0	2563	3488	4433	2175	1597	5428	2764	2951	1413	3039	3743	3249	2895	0	4081	3160	2349	2595	4156	1791	4968	2551	2152	6951	0	0	0	3202	1969	0	5122	3655	1420	5943	2847	0	1556	0	9555	7834	2252	2901	6890	2448	0	1564	29189	0	2932	3604	0	2664	0	5657	2539	1900	2688	4503	426	3773	4073	1944	2867	0	3237	2260	4673	91972	2217	18191	3107	9321	17714	44781	9414	3218	3943	0	2348	4211	1192	0	9847	6655	3456	3361	0	5064	20911	0	1937	0	Phytochemical	0.13043478	1.2608696	0.0
20	C25 H28 O3	377.21112	377.2115	-0.25428376	377.21103	10330	11967	8490	8050	7836	2435	12242	6611	5712	2749	7050	9658	3779	3833	7145	12407	25585	4088	7638	5892	7554	2481	5288	10440	6742	10847	13709	5165	7513	9704	5999	12297	9479	8381	3273	9593	9477	10145	27749	4840	10876	4033	0	0	0	4915	5879	0	8791	12657	4916	9872	9725	0	6513	8332	5293	13327	4096	13288	9673	3812	3565	6649	5732	4474	4705	22981	11496	9660	20185	3101	3505	11188	18155	11045	0	8377	14961	6068	13960	3815	10755	0	10324	10267	20240	6000	7997	21877	9549	7601	10769	4851	5207	0	9208	12052	7170	12714	5633	8214	11558	8707	4359	8614	7024	0	14404	5051	Phytochemical	0.12	1.12	0.0
24	C25 H28 O3	377.21112	377.21146	-0.20001447	377.21106	31684	30737	28238	27365	24573	16375	20131	29857	22060	16263	30749	21246	13794	17012	26746	42740	45239	20309	29685	30143	29014	26807	25886	33868	29275	91381	22774	25313	29370	34793	27236	34425	42554	24701	25448	35252	37393	20285	49970	31181	33326	18003	0	0	0	25163	25507	0	32564	32296	31701	32231	26015	0	18584	18240	15865	35747	18439	24602	36809	16793	14967	16068	11753	26473	32309	43661	65150	56926	80914	20036	25643	30609	27982	30315	0	21082	39945	22730	28717	21824	22384	25363	23935	13339	46885	21691	23416	50746	15082	16226	42131	23044	19036	0	25938	28362	19856	22186	28608	42398	22185	38926	16411	31901	20417	0	32631	18252	Phytochemical	0.12	1.12	0.0
26	C25 H28 O3	377.21112	377.21152	-0.1499217	377.21106	21232	18883	22507	18646	18586	9973	10540	28232	13932	8202	25847	13189	13520	9867	15269	24173	27575	8896	25530	23708	21357	20988	18329	31207	24337	74028	10806	26899	24699	30387	19565	21943	26499	19902	23733	26051	26406	13786	26718	22708	26753	15097	0	0	0	14947	12212	0	22345	28441	21980	20407	20906	0	10648	12298	10417	22483	15324	13391	23433	12109	11972	12341	8032	17286	27715	24069	68569	29556	56451	17723	20956	24844	13757	22658	0	15436	24427	25036	16733	15828	19504	20282	24622	14027	27594	18182	16209	23721	13886	13939	31776	33875	14478	0	23793	23125	13722	18331	20812	27065	16396	31570	9666	22370	18421	0	22627	6522	Phytochemical	0.12	1.12	0.0
22	C19 H33 O2 N2 S1 Na1	377.22333	377.22363	-0.24650767	377.22324	4988	7493	5582	3759	4878	3489	5882	4834	5727	8489	7057	5316	3579	0	3114	7464	8338	6787	8827	11117	9063	4017	3152	6024	5499	16495	6166	8210	7161	4071	5072	4086	5654	5755	9426	3412	8883	5626	5206	4158	7634	6215	0	0	0	3579	3853	0	5104	4139	4224	5129	5406	0	7229	6232	2802	5686	5028	4764	8758	3231	5279	4353	6071	5899	3794	8910	11608	20177	20378	4468	4777	4070	7265	4528	0	3291	5538	4040	2762	1975	4471	3881	5211	4102	8413	4266	5816	7079	5358	5515	6648	4130	6755	0	4482	10799	5348	6595	4481	9850	5137	7267	3042	3969	4232	0	4070	3089	Organosulfur	0.10526316	1.7368422	0.10526316
14	C22 H32 O5	377.23224	377.23264	-0.26114205	377.23215	7529	7890	6657	6302	3932	1863	11826	6665	5075	3067	2455	9518	3499	4539	7634	8803	12654	2945	7144	3425	0	7277	5528	5525	8673	3632	13676	0	5666	5893	6953	0	4362	2618	2676	6983	8190	7294	23836	2491	3589	5238	0	0	347	3634	0	352	7082	7026	5810	4748	4422	0	4499	6348	5888	10798	0	6562	0	1639	4429	2723	5080	4052	3934	23922	0	3892	3127	2350	4304	7001	13097	5699	0	5020	15527	0	8284	3351	9493	5173	11905	6373	16429	2072	4331	25982	3746	4797	5942	2958	3636	676	9921	4779	4485	13288	12701	10325	5537	5277	0	6994	7951	0	10852	2624	Lipid	0.22727273	1.4545455	0.0
26	C22 H32 O5	377.23224	377.23264	-0.1507653	377.2322	270557	247946	254259	250531	257414	172473	218240	262232	257889	309375	283712	115097	304939	197531	233831	228353	197093	320301	491754	493530	418390	298018	171840	215085	285928	377887	211732	338794	326610	261782	250328	279876	387150	215733	478387	322980	454310	219170	186140	302846	228913	181401	7034	0	0	216909	155483	0	269287	187037	266892	247854	248579	0	360449	269084	159642	322678	269513	126325	267772	210469	241470	228043	133712	300721	291361	216457	329451	504831	371733	169009	197917	264461	175234	252203	0	169210	225906	196627	140451	169851	263671	228758	265446	199795	287048	178585	227230	224691	372648	405650	339640	197541	280953	0	259300	303753	173128	264114	293906	409381	140751	327156	228116	203429	207688	0	182066	237572	Lipid	0.22727273	1.4545455	0.0
16	C22 H32 O5	377.23224	377.23267	-0.21677738	377.23218	28510	28499	27523	25791	20460	12168	37460	21330	21368	11199	11945	21906	14826	19838	21405	37272	62812	13353	29380	14641	15525	15136	18025	19211	24541	15711	36228	16920	22176	27226	17826	33323	29678	14235	9173	30612	25411	27072	72295	5898	12948	18920	4150	2052	1835	11510	16182	478	31139	26076	29850	28142	18864	3411	17263	25425	18842	35202	15757	26828	27840	6132	22930	12770	19539	15298	25220	68642	19428	14842	24837	10259	17583	30169	54657	27856	515	15788	40885	20175	24896	12160	28903	17808	37828	23939	49672	16691	26913	72433	19367	24524	33922	10488	9474	4642	31575	32503	32611	38164	42551	36889	17723	24930	5855	28799	25642	355	31293	10189	Lipid	0.22727273	1.4545455	0.0
18	C22 H32 O5	377.23224	377.2326	-0.25892892	377.23215	86001	101698	90694	81201	66994	49636	115796	71781	56189	60257	59416	60462	59198	68965	75948	126901	191932	55578	93866	68032	70570	71256	63760	76710	70161	77858	119805	61070	93296	87926	74465	99654	97510	68175	63195	98530	84814	65626	205646	43218	61042	71121	2885	1462	1063	39028	54229	1520	108765	79184	92403	93073	64763	1784	79895	74489	53385	112400	41927	75213	78001	27740	73767	57033	65261	76116	75528	213163	66719	71197	103297	40856	59351	91379	174742	99088	1045	49777	105991	68078	67164	43077	94249	75469	98584	75020	141324	60095	72136	181982	91440	82361	111121	44024	44060	1484	88110	93696	58617	108462	127600	106512	58737	65150	28575	76131	74350	1592	98089	59127	Lipid	0.22727273	1.4545455	0.0
22	C22 H32 O5	377.23224	377.2326	-0.19042173	377.23218	469129	498573	416880	446464	473203	336770	618167	408474	394512	512067	452977	297598	367404	376439	394350	581462	697880	502262	619608	628883	672048	421375	331671	438630	441477	800580	587903	445575	517931	466881	374568	540366	607837	434075	539185	547789	552773	377382	686611	396941	454167	374896	16424	0	1733	327002	341066	2752	509961	378535	467385	469907	436858	3701	507405	446566	319163	638429	286241	326197	540589	269683	407512	373865	301252	492549	493697	736591	590961	788518	907359	287619	360483	425328	640146	455824	1161	290942	519423	339795	329632	271335	520597	438776	514882	410038	709166	380880	477292	682275	373074	366502	484831	309412	451210	4976	449942	481037	340413	545755	537281	732061	268105	464009	283063	413266	425265	0	431923	431040	Lipid	0.22727273	1.4545455	0.0
28	C19 H36 O5 S1	377.23563	377.23572	-0.11507405	377.23557	1406	1549	1786	1634	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5030	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1148	0	0	0	0	0	0	0	0	0	0	0	0	5792	0	0	0	0	0	0	0	0	0	0	0	0	0	764	4413	0	0	0	0	0	0	0	0	0	0	58492	105436	0	0	0	0	1469	0	1460	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2631579	1.8947369	0.0
24	C19 H36 O5 S1	377.23563	377.2355	-0.47304648	377.23544	10886	11021	14121	9469	0	0	0	0	0	0	1970	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10058	0	0	1340	0	1940	0	0	0	0	0	2004	0	1957	0	0	0	0	0	0	0	0	0	9867	9342	1525	0	1308	0	0	1616	0	0	0	0	0	0	0	1823	0	0	0	0	0	0	0	0	0	0	0	0	0	4424	0	3758	0	0	0	0	1485	0	0	0	604531	1060934	0	0	1894	0	11897	8996	0	0	0	0	3761	0	0	0	0	0	0	0	Organosulfur	0.2631579	1.8947369	0.0
26	C19 H36 O5 S1	377.23563	377.23547	-0.1494193	377.23557	7049	7768	5245	8568	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2806	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7175	9183	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	178094	356226	0	0	0	0	5788	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2631579	1.8947369	0.0
26	C24 H33 O2 Na1	377.2451	377.24557	0.36296073	377.24524	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6012	0	0	0	0	0	0	0	8662	0	2501	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35408	0	6202	0	0	0	3704	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12333	0	0	0	Lipid	0.083333336	1.375	0.0
22	C26 H32 O2	377.2475	377.24786	-0.2862326	377.2474	3103	4677	2762	2356	4291	2310	5466	4750	3100	0	0	4868	0	0	3003	7261	17734	0	2848	1859	0	1977	2705	1923	1545	3630	5626	1482	1623	3736	3122	5046	4865	2239	0	4339	0	5402	16711	1689	1472	2697	0	0	410	0	2531	0	3402	5423	3930	0	2167	0	2037	3613	4644	4238	1250	3556	3627	1790	0	0	3975	0	2587	21105	3152	0	6182	0	1530	4706	9699	4040	253	3275	5603	2526	5400	1984	3241	0	5658	4923	9455	2048	4085	10900	0	0	4816	1504	0	0	3670	3262	3841	6932	4397	9487	2628	2309	0	5604	5237	0	4455	0	Phytochemical	0.07692308	1.2307693	0.0
26	C26 H32 O2	377.2475	377.24786	-0.20317328	377.24744	8371	10134	9875	9798	12104	4365	9065	12344	14354	4028	9196	8100	4584	4528	10197	14455	20817	0	10208	5019	0	6956	8897	10676	16048	24468	12423	11661	11260	18901	12069	12457	12041	10109	4794	18710	11882	11186	19795	6118	8682	7915	0	0	0	5595	6136	0	12916	15972	10123	11507	10943	0	8730	9746	7017	12844	4741	6492	12041	3527	5362	5942	4375	5593	10942	29069	12348	7687	13763	5768	8428	12674	14233	14707	0	8139	13467	10801	10594	10055	8795	6300	15640	11422	16782	7569	7729	17857	4914	5077	10134	6409	5642	0	10466	10653	6523	14370	12241	19497	11043	10512	0	14214	15116	0	14403	2574	Phytochemical	0.07692308	1.2307693	0.0
24	C26 H32 O2	377.2475	377.24783	-0.24417259	377.2474	7717	9067	6738	8333	8442	2389	6225	10276	6166	2301	8521	6665	1937	4864	8601	14937	29057	2950	5368	4227	3103	5134	5848	8639	8029	8961	13171	6904	9364	14983	9214	10054	9791	5285	6428	14164	10742	9913	28709	3943	9345	4793	0	0	0	3810	7320	0	11885	9797	7993	10102	11275	0	6196	6520	6351	11957	5125	8019	10297	2528	3792	5757	5234	3882	6910	33491	6788	5719	12567	3929	4775	13395	17803	10392	0	9222	14571	5174	8826	4694	4766	4716	13083	6568	20240	6191	7135	27288	7981	3863	7199	4410	2971	0	8497	6409	8829	13667	14110	15293	10778	9591	3615	10942	9033	0	11376	2218	Phytochemical	0.07692308	1.2307693	0.0
20	C19 H36 O7	377.2534	377.25357	-0.30448863	377.25327	11849	10413	7778	9376	0	4625	0	32723	0	2647	0	0	0	2518	0	20781	0	0	0	35460	0	0	0	7607	0	0	3418	15156	4084	14273	8900	17079	0	8090	2086	9893	0	0	3585	52486	0	16968	663	0	0	46591	0	0	29068	18209	7483	10838	1228	0	0	6302	13703	17699	0	0	20692	0	7723	0	27317	0	3806	0	0	57518	0	24922	0	0	0	3733	0	0	0	8062	0	0	0	0	15887	98829	0	6425	3245	0	83017	124853	0	0	15279	0	13144	10598	5901	23709	87375	0	0	48235	0	0	39992	784	0	0	Lipid	0.36842105	1.8947369	0.0
18	C19 H36 O7	377.2534	377.2537	-0.30324206	377.25327	11348	9134	10614	10563	1755	6901	0	28032	0	0	1510	0	0	3041	0	11904	0	0	3264	16062	0	0	0	5336	0	0	3453	14271	6996	11043	5493	15502	0	9354	0	4699	0	0	1703	35679	0	20583	0	0	0	40109	0	0	23408	12765	8360	9445	0	0	0	4764	22934	16347	0	0	11588	0	3866	0	45378	1674	3995	3269	0	28262	0	14620	0	0	0	0	0	0	0	6212	0	0	0	0	32654	189369	0	12570	1809	0	85428	265323	0	0	13338	0	9464	9980	11407	36659	179824	0	0	29425	0	0	58765	0	0	0	Lipid	0.36842105	1.8947369	0.0
8	C23 H33 O1 N2 Na1	377.25635	377.25677	0.36343053	377.25647	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5725	0	9885	0	11337	2500	0	0	15404	0	0	0	0	0	0	0	0	0	0	0	6666	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20102	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5709	0	0	0	0	0	0	0	0	Lipid	0.04347826	1.4347826	0.08695652
20	C23 H36 O4	377.26865	377.26895	-0.28862062	377.26852	5266	7745	9936	7424	1986	3397	23533	15064	3330	0	2912	3832	2137	8347	6125	19635	24552	3795	15354	0	0	2651	2233	4556	8018	0	22631	4473	19203	14707	10592	15673	7755	4799	0	22418	5364	8268	23671	0	0	9059	0	0	0	0	0	0	20690	12366	9720	6068	7574	0	3355	3321	5680	11385	980	2854	10194	1454	0	1880	11400	5109	10454	28628	1388	2190	0	5927	12590	20756	27650	14040	0	3625	6076	5386	6181	2748	13430	7557	6249	13840	11723	6932	7188	23659	3463	0	8863	0	0	0	6987	4801	3307	4919	10370	12493	5082	2268	1502	7347	6872	0	12332	0	Lipid	0.17391305	1.5652174	0.0
22	C23 H36 O4	377.26865	377.26898	-0.25621453	377.26852	24928	25893	26223	23079	13973	14084	118097	21611	13024	8777	14025	12947	8046	25115	14967	33663	61749	17351	21515	11478	8449	9902	15597	9952	24414	27129	101726	25548	29773	28378	16605	22666	20879	18242	8673	27734	24666	20454	71232	3977	14242	15532	0	0	0	8070	14509	0	29191	21201	26520	25711	24166	6169	15939	17810	22686	31997	13579	16279	26586	3853	15437	7983	34446	21511	33082	68540	6878	12182	12866	9245	21784	24764	43622	25526	0	11779	27701	21169	18777	17427	66674	62754	25001	25498	58563	16066	27712	69897	29656	24241	22727	10132	14355	0	21429	27160	15861	21200	24072	33305	12359	18926	9879	18720	25448	0	26122	11174	Lipid	0.17391305	1.5652174	0.0
20	C20 H40 O6	377.28976	377.29004	0.05106837	377.2898	0	1616	2762	2994	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12146	0	0	0	0	0	0	0	0	0	0	171603	157265	0	3299	2067	0	2539	1738	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3	2.0	0.0
24	C24 H40 O3	377.30502	377.3053	-0.22400966	377.30493	2990	2881	3825	2315	0	1411	72509	2286	0	0	3868	1659	0	25451	1455	5310	12530	0	0	0	0	0	0	0	2030	4357	78096	9631	2040	8793	1181	7840	2075	1229	0	6772	1693	3594	13731	0	5991	2486	0	0	0	0	1702	0	5664	1878	6299	5933	3305	0	0	1187	3896	2447	840	5784	6959	0	4969	0	18761	1896	5221	14326	1539	0	2387	0	1330	2863	11291	3553	0	0	4611	5686	893	4331	10262	10907	0	0	19521	0	3320	28179	3704	4542	2280	0	0	0	4660	5803	1868	0	0	1997	1548	5233	1612	2318	0	0	3590	0	Lipid	0.125	1.6666666	0.0
18	C17 H15 O7 N1 S1	378.0642	378.06467	0.04356268	378.0642	0	2553	3010	2047	2376	1965	0	1610	2096	14678	8184	0	4434	1627	0	0	2478	3787	2176	5644	7785	17748	0	1885	0	6698	1317	3722	0	0	0	0	0	0	10815	0	1756	0	1672	8317	14380	1185	413	0	0	5353	7987	0	0	0	4258	4174	2884	0	3107	1822	1427	1913	0	3562	0	8629	2010	3698	1380	4587	2097	0	6937	8655	12896	1487	0	0	0	0	0	0	2199	15528	0	3478	1603	8045	2393	1192	2643	3029	1707	4008	6499	9895	2763	23601	21141	0	2134	4193	1579	4393	2176	2028	0	3498	3183	0	3680	0	2617	6251	Organosulfur	0.4117647	0.88235295	0.05882353
12	C17 H12 O6 N3 Na1	378.06964	378.07043	0.3990474	378.0698	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11960	6708	0	0	0	0	0	0	0	0	0	0	0	1536	0	0	0	0	0	0	0	0	0	3885	0	0	0	0	0	0	0	0	0	0	1038	0	0	0	0	0	0	0	1585	0	0	0	0	0	0	0	0	1184	8620	0	0	0	2751	0	0	85999	0	0	1186	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1382	0	0	0	0	0	0	0	Unclassified	0.3529412	0.7058824	0.1764706
6	C17 H15 O9 N1	378.08197	378.08255	-0.14337632	378.0819	5016	4259	4153	3904	7566	2709	0	1691	12778	8167	6392	1707	13339	1833	978	1442	1709	7545	9378	5069	9685	9276	2167	2000	639	1098	1393	0	944	592	1677	1130	1581	1301	14210	909	2142	1201	1946	3557	9697	3535	0	0	0	2668	5979	0	1128	762	3569	3022	4565	0	9873	8720	3071	1228	1540	2067	1269	3873	22044	12696	3622	11016	3211	2017	2642	3133	7126	944	1273	0	0	852	0	952	2509	0	1661	1616	0	1515	8544	2747	2311	4140	3206	4156	0	0	2198	5379	5002	0	2953	3290	6663	12851	10014	2152	1424	3111	0	1610	4648	0	0	23328	Phytochemical	0.5294118	0.88235295	0.05882353
8	C17 H15 O9 N1	378.08197	378.08255	-0.07583572	378.08194	13904	13516	9291	13078	16574	8430	1714	5020	25497	32430	24873	6974	37450	4357	4491	6359	5559	18460	21436	16778	31994	23098	6452	6611	1416	3079	3144	4552	2548	1906	3430	3956	8487	2916	37075	1637	7133	5379	6115	22943	31964	9743	0	0	0	10562	26068	0	2358	3413	15193	14356	13118	0	28799	26176	8068	6396	4810	8403	9062	16987	50519	32374	8310	23368	9478	8722	11300	10081	23742	3740	3630	2952	4225	3183	0	3049	11182	9102	5330	6587	1660	5197	20561	6675	6742	11027	7646	16330	0	0	14276	30401	24661	0	12489	12256	18258	30999	23098	6871	4255	4625	10401	6816	17239	0	2994	43551	Phytochemical	0.5294118	0.88235295	0.05882353
20	C17 H15 O9 N1	378.08197	378.08237	-0.059844818	378.08194	7706	10781	12127	12505	20840	13144	4572	2640	25209	24609	11707	5932	46557	7658	6050	4865	3423	28285	22653	9453	17088	39418	8805	8624	3758	2705	3516	3479	3752	3589	1682	3740	6716	4519	29959	0	5398	5912	2905	15928	20356	7258	1132	0	376	12019	14733	1209	4483	0	11982	10393	11522	761	24152	23593	7939	4610	4199	6229	5685	17024	37776	24053	7964	24815	8396	3161	7009	5006	6725	2246	2346	0	2385	2094	786	6720	12304	26012	8070	7264	2586	0	21960	11411	11047	9635	10446	8406	7642	8423	8161	42356	34352	901	15929	13136	9102	20571	20003	5468	2829	4789	14720	5720	17635	923	7205	37666	Phytochemical	0.5294118	0.88235295	0.05882353
16	C17 H15 O9 N1	378.08197	378.0824	-0.14335173	378.0819	39050	38790	37152	51503	58482	31131	11884	12056	61536	100999	51931	15132	108885	22210	19492	21310	17803	86715	64689	55677	87034	112497	30146	29153	13656	8603	12312	24368	12444	6874	10889	11371	33636	11589	135006	8040	31382	17991	20834	68979	89183	24599	1849	0	427	35779	64413	903	16187	13269	42428	40558	38865	411	73788	51016	22704	27805	20630	21435	20370	57085	102281	70110	21952	73501	31516	14048	30857	24953	46845	10286	8123	2621	13058	6532	659	16801	34330	88253	22356	43817	13869	29820	56944	27302	29262	31301	30082	56008	25226	40719	48755	110698	117121	564	38806	41596	43567	53678	57067	25612	15516	16399	33145	23187	38828	510	14218	123099	Phytochemical	0.5294118	0.88235295	0.05882353
22	C17 H15 O9 N1	378.08197	378.08237	-0.12527503	378.0819	3971	3683	4145	5880	9301	7977	2015	1628	10521	10746	3946	2578	17992	0	2402	1457	1945	18355	7953	0	9242	18151	4250	3380	0	0	0	1849	0	0	2669	0	3411	1983	8866	1581	2624	2263	1660	8873	8703	2652	0	0	663	5478	7162	0	0	1734	7779	5685	6310	560	13951	7846	4806	2438	1099	1469	2099	6145	21955	14755	3133	11216	3266	2145	2264	0	0	1262	0	0	0	1507	594	1493	4246	14646	4311	3632	0	0	13063	5092	4698	4224	4710	3754	0	2914	5418	20604	23814	0	5546	3714	6811	11481	10745	4001	2104	1783	6138	2252	6538	0	0	21731	Phytochemical	0.5294118	0.88235295	0.05882353
10	C17 H15 O9 N1	378.08197	378.0825	-0.087122455	378.08194	31139	30359	25588	25512	33934	15047	7982	9823	53116	70783	55292	13137	62434	14992	9919	10199	14460	36247	46199	43123	70483	59916	19193	14694	3745	9046	9996	18391	6393	5233	8958	6988	21314	8161	86056	7246	12833	10978	17545	45622	78411	16314	0	0	0	26413	52796	0	8868	8271	30497	30544	22979	0	50879	44897	16192	13812	10349	15765	13929	45988	77436	54070	16779	47786	22587	14671	36428	18408	50177	9141	6421	5908	9739	6271	0	7647	17123	37151	15659	23256	7416	13778	46789	17962	18920	21363	20588	28679	13229	13850	22457	75463	57186	0	25427	28820	30092	49664	36654	17543	12613	14781	22693	19033	29432	0	7327	80728	Phytochemical	0.5294118	0.88235295	0.05882353
14	C17 H15 O9 N1	378.08197	378.08246	-0.09661432	378.0819	50341	53939	52933	65640	72555	40012	15190	18213	82962	139022	88514	19826	133127	28987	23425	26816	31718	96073	92949	87754	136243	188594	37932	30304	13513	18428	15537	42947	13402	11915	16918	17940	37130	18394	196694	12533	30758	20084	24242	96675	158491	42855	0	0	234	58567	98516	0	14722	15159	46836	62762	52207	270	111270	67223	35420	32175	25031	33748	25700	88143	141309	99750	27695	84324	39145	24077	49333	31445	71650	17310	10201	7281	14305	15480	0	19126	41233	109442	29566	50831	15455	39472	77196	30227	41925	48861	45160	59173	22459	52991	57845	166946	137861	507	70416	57066	48539	79750	67031	23370	20423	25416	74268	43204	58884	0	20619	136169	Phytochemical	0.5294118	0.88235295	0.05882353
12	C17 H15 O9 N1	378.08197	378.08246	-0.09680692	378.0819	46949	50058	43758	48639	56319	27275	14908	11330	72509	102128	78433	15942	101049	18237	19719	21368	23027	70161	72548	74217	111319	147604	26893	20863	8657	15224	8851	31250	11467	11792	12470	16106	36835	11813	172062	9248	26090	18907	23082	85709	158413	28736	699	0	0	49117	98135	361	16149	13204	44456	48673	38317	0	80093	48823	27778	24491	19005	26351	20037	75340	132204	76052	21371	78722	29630	26856	69489	36007	67685	12751	8161	7870	16103	11502	0	13774	35360	72779	24744	42048	9697	32309	58313	29087	37028	27779	26374	48229	17947	41880	44245	133617	100052	0	50704	52941	50230	64494	54948	31593	16758	23462	51353	29492	51093	0	13887	119436	Phytochemical	0.5294118	0.88235295	0.05882353
24	C17 H15 O9 N1	378.08197	378.0823	-0.16927774	378.08188	2507	2644	3488	3030	7527	4830	0	1856	8624	7161	0	0	11991	2975	1443	2094	1491	10505	10972	1696	3350	11323	3713	2110	1498	0	0	0	0	0	0	1386	2080	0	9125	0	2091	2179	1947	2585	6138	1803	0	0	0	2546	6774	0	1582	0	3994	3782	6529	0	9403	4696	1797	1166	0	0	2579	3053	18912	8902	2021	7428	3301	1408	0	0	1877	1230	0	0	0	0	0	1063	3216	7812	3706	3245	1161	1923	8652	0	4199	2178	3013	1981	0	1840	1720	16737	18725	0	3275	3677	4276	4130	4317	2311	0	0	2541	2320	4807	0	1332	20628	Phytochemical	0.5294118	0.88235295	0.05882353
18	C17 H15 O9 N1	378.08197	378.08237	-0.114228904	378.0819	32165	29310	26745	27971	35716	23885	10196	5075	34283	49941	26269	8110	84349	19904	11443	11967	9719	50503	43154	35245	50890	76443	17943	14117	5681	4126	9033	13478	4608	5532	7367	3856	13460	7693	65272	5877	13732	7766	9196	47698	37093	14987	1964	335	554	22010	41304	1058	7439	3181	28764	24153	22893	428	45742	37734	20271	13411	12220	7512	15369	34554	68844	37638	16054	44558	20774	9726	13838	8765	27193	6904	3053	2448	5763	4932	511	8727	21037	56127	18912	24783	5638	19778	37731	24598	25115	21325	21465	19483	16666	18239	18208	67919	88914	433	24529	20019	23599	33456	37042	9954	8498	11777	19104	13003	27114	462	10114	70553	Phytochemical	0.5294118	0.88235295	0.05882353
8	C16 H15 O8 N3	378.0932	378.09378	-0.064267054	378.09317	9258	8294	6426	7817	7793	3557	2370	4550	13036	10237	4738	3392	17772	3158	2925	6326	5042	12035	12877	5812	10960	16862	3956	4486	1791	477	1376	0	1064	2483	3075	1968	5773	2992	14370	3053	6221	4794	6215	6909	16227	3735	0	0	0	6486	11637	0	1910	2557	6262	8982	4983	0	15441	9215	5354	5422	2483	4716	0	8946	24567	17050	5784	13089	7137	7709	3555	2158	5845	3056	3325	1005	2241	2785	0	3288	7477	3652	4173	5002	2448	1208	11229	4130	6375	7560	7747	15015	0	0	13529	13111	6143	0	7177	9508	7453	14788	9341	5260	3284	3180	0	6343	8472	0	3885	25445	Peptide	0.5	0.9375	0.1875
12	C16 H15 O8 N3	378.0932	378.09375	-0.037457325	378.09317	6857	4750	6752	4073	7181	5825	0	3298	12547	6033	3510	3183	11394	3234	1976	3282	5543	8258	8036	5380	8294	17227	4632	4309	2516	0	2082	0	2702	3463	3349	1400	8744	1498	12207	2318	7941	3235	7799	11982	21823	2967	0	0	0	3835	11735	0	3385	1516	7249	5827	6007	0	0	4989	3050	3650	0	0	0	10495	21547	11326	2997	11442	6688	8360	0	3508	5139	0	1337	2254	3783	1262	0	3192	5401	0	6022	5062	2128	2839	8917	4244	5560	6091	4864	11741	0	3977	9665	14117	8902	0	5699	7595	6003	8878	6528	2974	3798	0	0	9119	4411	0	4075	0	Peptide	0.5	0.9375	0.1875
10	C16 H15 O8 N3	378.0932	378.09372	-0.060825866	378.09317	13716	14034	8860	17648	22622	8690	6760	6466	22834	24212	16098	8260	0	6906	9182	6970	12798	25018	26610	11684	21347	50334	12569	16664	3812	2594	4950	0	6570	5716	8286	6070	14982	8230	31566	3122	10948	9362	18218	19888	42910	9203	0	0	0	11502	23192	0	6928	7990	15686	12390	17583	0	1622	0	9362	12652	6616	12696	0	20114	0	29478	9054	33164	13282	14260	0	10493	17300	9638	2310	3676	7720	4704	0	14514	17222	9696	11620	12811	4390	3362	30080	8282	16524	12324	14046	25520	0	16458	19380	30172	16384	0	17866	12576	11344	0	23902	11758	9807	8646	0	11788	12054	0	11008	0	Peptide	0.5	0.9375	0.1875
18	C21 H15 O6 N1	378.0972	378.0976	-0.013407811	378.0972	0	4837	3214	2086	2852	0	0	0	1764	6209	10128	0	0	933	0	2034	0	0	0	2141	4533	3168	0	0	0	21027	0	5098	0	0	0	0	0	0	5437	0	1662	0	2302	8693	11087	1059	0	0	0	2315	6837	0	0	0	2278	2863	1223	0	0	0	0	1994	0	1281	0	2975	1839	0	1300	0	1106	0	23355	16349	34491	0	0	0	0	0	0	0	0	2719	1382	2841	0	1489	1944	0	2416	0	1507	3561	0	0	0	7087	6947	0	2173	2451	1244	0	1410	0	0	0	2658	0	1774	0	0	0	Phytochemical	0.2857143	0.71428573	0.04761905
20	C21 H15 O6 N1	378.0972	378.09756	-0.11569112	378.09717	1902	1912	2694	2199	0	1448	0	0	1703	7551	4923	0	0	0	0	0	1970	0	0	2227	3226	4960	1778	1646	0	18083	0	7189	0	0	0	0	0	0	0	0	0	0	1805	4171	13604	0	0	0	0	0	9942	0	1870	0	1542	2724	1607	0	0	0	1154	0	1002	2306	0	2691	0	0	0	2447	0	1432	20408	9852	28702	0	0	0	0	0	0	1078	1767	7533	1184	4774	1571	0	1848	0	2137	1594	0	3736	0	0	0	9565	9010	0	1666	0	1416	0	0	0	0	0	2284	0	0	0	2003	0	Phytochemical	0.2857143	0.71428573	0.04761905
6	C14 H19 O11 N1	378.1031	378.10376	-0.08943392	378.10306	4021	5300	5161	6524	9626	2621	893	1682	12003	6385	5698	2347	26949	3217	1388	6254	2493	15186	11123	3105	16368	6265	3824	1459	497	2293	1049	0	1566	844	0	2663	4639	0	9872	2092	2938	2050	1022	4591	8176	4600	0	0	0	2696	7751	0	0	1488	3881	2013	7857	0	16728	21211	3574	956	0	3486	0	4234	23223	11431	4998	9069	7681	3773	4308	3874	7974	2034	2151	0	1223	1195	0	874	2963	0	1189	2064	1012	2287	16352	4291	1856	6983	6295	8870	4222	1450	5615	6174	5353	0	2350	6461	6748	19620	26159	5680	1570	0	0	1662	11998	0	705	26125	Unclassified	0.78571427	1.3571428	0.071428575
14	C14 H19 O11 N1	378.1031	378.10364	-0.14219806	378.10303	5596	0	0	3083	16492	10608	0	2092	26412	0	0	3334	49230	6192	3974	0	4571	33147	21440	0	10570	0	6980	0	0	0	0	0	2850	2843	0	0	5612	0	0	0	2745	2238	0	0	0	17217	0	0	254	2912	0	0	0	2429	5560	0	11056	0	40100	31713	7696	0	0	0	0	0	41624	40908	9503	18236	9873	0	0	0	0	2187	1188	0	8617	1306	0	2834	3018	0	3232	2549	0	0	24660	0	0	11599	7431	0	0	0	3548	5751	0	0	0	7322	17112	16947	18743	5539	3191	0	0	0	18059	0	1623	39065	Unclassified	0.78571427	1.3571428	0.071428575
8	C14 H19 O11 N1	378.1031	378.10364	-0.04489372	378.10306	22702	24996	17262	20654	45936	17610	7354	5768	50732	54644	51878	14170	153458	13580	10244	14744	19728	59594	75842	35248	44868	67356	20790	14970	3080	15710	6916	10708	7788	5082	1724	4634	16102	6838	80236	0	20564	9320	13162	28992	65252	29922	0	0	0	11060	50232	0	11428	10928	25492	20688	35138	0	70460	89838	17758	11111	5350	16304	0	26640	88646	74426	21916	57356	17616	9206	18656	28527	43380	3420	5938	4236	11406	3796	0	9128	14152	23396	6748	9892	2712	8768	77832	16872	11652	26060	28000	21510	0	0	16578	57546	75564	0	24000	34438	32974	96572	80988	18858	6054	0	17168	10810	48584	0	7424	107166	Unclassified	0.78571427	1.3571428	0.071428575
12	C14 H19 O11 N1	378.1031	378.1037	0.05501277	378.10312	8775	0	5362	5065	23543	14347	0	3935	39263	0	0	5650	77599	8659	6365	1769	7395	37717	34204	0	9493	0	14247	0	0	0	0	0	2139	1626	0	1707	5202	2244	5878	1153	0	2450	4390	0	0	21309	593	0	0	0	0	0	0	0	8805	0	16242	0	60973	50802	15093	0	0	0	0	0	64531	50757	10745	35703	12515	0	0	0	0	1184	1203	1000	3992	1185	0	4095	2754	0	2945	0	0	0	34936	8927	3633	12691	13651	0	0	0	4047	11959	1368	0	10195	9992	24165	28314	35178	7403	6180	0	0	4211	25319	0	1088	75003	Unclassified	0.78571427	1.3571428	0.071428575
16	C14 H19 O11 N1	378.1031	378.10367	-0.03777213	378.10306	0	2474	0	4028	6820	5214	0	0	13645	0	3409	2223	20429	0	0	0	4154	10409	8087	0	4457	0	2865	2401	0	0	0	0	0	0	1985	0	2987	0	0	1711	0	1593	0	0	2806	4229	280	0	0	0	3135	0	1592	1778	3877	3951	4106	0	17805	12339	5172	0	0	2075	0	2293	20057	16442	3749	7404	5428	2006	0	0	2655	1521	0	1886	2648	0	0	1867	0	0	2223	0	0	0	9873	3201	0	5915	3984	0	0	0	0	0	0	0	2734	4164	8265	5742	8969	3702	0	0	0	0	5665	0	0	16999	Unclassified	0.78571427	1.3571428	0.071428575
8	C22 H19 O3 N1 S1	378.11584	378.11627	-0.02237058	378.11584	0	0	1586	1493	0	0	0	0	0	0	1647	0	0	0	0	0	0	1072	0	0	0	0	970	1214	0	0	0	0	0	0	807	1980	1848	1193	1486	0	1225	0	1713	0	0	904	0	0	0	0	0	0	1262	0	0	2083	1518	0	1301	0	960	0	1801	0	0	1991	863	804	0	857	0	1082	0	0	0	0	0	742	27983	0	0	0	0	0	0	1194	1312	0	0	0	0	684	607	1753	0	0	0	1324	0	0	0	1481	1678	790	0	1144	1942	0	0	1127	0	0	907	830	Organosulfur	0.13636364	0.8636364	0.045454547
10	C18 H19 O8 N1	378.11835	378.11887	-0.07204074	378.11832	180735	176327	156088	153723	120970	85585	73395	123855	155198	477773	269255	83660	219632	66378	83006	125403	95443	164892	177817	338771	442816	314345	100208	141451	57038	190873	72019	159901	96999	96672	86410	109927	152862	97257	607134	87312	141057	79520	117037	369854	461335	79401	3140	0	0	206002	285593	657	112228	101577	185860	183383	94470	513	191031	107883	61139	130238	128411	120944	139207	242667	204155	164221	65483	158570	96209	123578	322863	334240	451364	104348	95702	77371	79827	100493	0	80512	110834	146215	94484	166725	79911	144287	133342	68479	95782	83078	94019	143944	102183	153891	174022	254049	319977	1005	174371	168534	110123	109351	105704	122725	78870	151866	205667	110025	94927	0	71062	250801	Phytochemical	0.44444445	1.0555556	0.055555556
14	C18 H19 O8 N1	378.11835	378.11884	-0.060948458	378.11832	234631	230359	223801	233401	181475	139561	111155	140652	208283	688526	340361	96872	290328	103646	116872	167264	107716	244918	246579	484533	623827	526416	136764	161191	109163	299804	102041	286416	124696	121344	116776	160595	202038	114998	923523	134585	177248	114821	122477	551817	483537	122757	4388	600	627	297871	366996	646	136526	117483	230894	224188	145137	1480	258045	145769	100280	180100	167565	129423	187482	383186	301339	226290	82660	217641	135641	119758	457106	535086	495584	126185	114265	107266	85571	117322	693	96083	153064	320057	112459	238583	117444	264967	183889	118977	153702	123674	133368	206312	211478	252438	247296	372321	465830	1678	233472	218279	122829	156751	149403	176214	96809	189956	208078	153030	122248	845	101505	288837	Phytochemical	0.44444445	1.0555556	0.055555556
4	C18 H19 O8 N1	378.11835	378.119	-0.14685158	378.1183	11468	13797	9020	10745	15337	7698	3814	6456	18343	25371	25699	5630	25560	6854	5541	7665	9605	17117	16168	18655	30231	23190	9044	7795	3052	8643	3724	8197	5910	5331	5008	4666	9078	4255	38707	5290	7747	7028	12194	15698	32950	8357	0	0	0	11886	29082	335	6840	5569	10938	11586	10698	467	20009	19463	7014	6314	5354	9130	8223	13336	26913	18330	6968	15892	6615	10017	19572	11906	25118	6469	4530	4054	2379	5226	221	4148	8383	11585	6865	9946	4348	5777	17372	7196	7298	8024	8633	11728	5399	5318	11002	18625	14856	582	11860	12614	17132	23423	18444	6322	6265	10816	14162	7388	13340	0	3108	25946	Phytochemical	0.44444445	1.0555556	0.055555556
24	C18 H19 O8 N1	378.11835	378.1187	-0.17504267	378.1183	6748	7586	8253	4232	6978	5508	2247	2638	8305	20796	8606	3766	16295	3467	6747	5979	3779	10005	9332	8582	9580	18223	4259	6389	3684	5545	0	3161	3387	3729	1859	2439	4827	3678	21354	3776	5818	2387	3118	11213	10366	3540	0	0	0	8523	12112	0	3424	4191	5340	6741	8148	0	10569	6266	4031	4280	3893	2768	5116	9915	15124	9104	1606	9277	4986	2944	10096	10367	7785	4248	2107	1808	2187	3002	0	3354	7901	7562	5283	7476	2275	4794	11420	4125	3645	5170	5220	3123	6379	4893	7141	10801	25414	0	10646	7733	4423	7431	7850	4461	2942	3604	6310	3236	5209	0	2976	13485	Phytochemical	0.44444445	1.0555556	0.055555556
28	C18 H19 O8 N1	378.11835	378.1187	-0.1895095	378.1183	6060	5099	6613	4727	4091	4227	3330	4326	5110	15719	6271	3284	7958	3310	3598	4729	3872	6626	8762	6719	10428	12989	5924	6275	5793	3816	1703	5477	2525	4011	3992	3185	3174	3332	20333	3697	4070	2009	4653	9180	9601	4094	0	0	0	5956	8073	0	4618	4287	6211	3493	3771	0	5967	2145	3220	4068	3484	3668	4514	6883	5701	4720	3088	4873	3042	4813	6056	9365	7749	3029	3194	2758	3229	3428	0	2873	2938	8664	3305	3655	3193	2652	4802	2734	3138	3563	3343	4119	2119	5505	5660	7965	12906	0	4921	6622	2814	2353	2772	2517	1951	6101	6036	4970	2664	0	2953	7860	Phytochemical	0.44444445	1.0555556	0.055555556
6	C18 H19 O8 N1	378.11835	378.11896	-0.09837707	378.11832	49110	49943	49482	49550	45645	26092	18163	31438	60452	130937	100165	24781	83980	19126	24842	40514	27852	59041	61320	81705	142842	91630	29606	39297	11761	28350	14838	43405	24932	23901	28494	29371	41336	27462	172780	26453	32498	24792	38537	69643	281704	25609	0	0	0	50484	101204	0	34124	24578	45992	55381	34143	380	70056	44792	23898	37966	25283	40948	39386	68316	92024	63422	19595	62088	31382	40875	76683	69659	138650	22294	24760	23203	14501	22900	0	19077	29718	44695	21668	34275	16857	26885	51221	26933	27990	28799	32557	52846	22618	46649	51134	79965	81108	0	46416	47500	39444	52378	48450	40309	26371	38467	56652	34615	34304	0	16756	94816	Phytochemical	0.44444445	1.0555556	0.055555556
20	C18 H19 O8 N1	378.11835	378.1187	-0.14049353	378.1183	42280	48607	46909	41203	48920	39531	17664	24847	46317	114248	55523	18761	73103	33662	27933	37019	19452	66720	62930	63868	79712	87529	30578	36177	26959	60660	17357	38972	30222	23176	22766	17933	40792	29905	124661	16941	38130	18788	22540	86357	74366	29375	3032	1586	952	63817	83550	1369	25587	15589	45033	48338	41368	1365	53211	43814	24405	30970	26757	17425	26159	58849	67428	53141	23393	61018	35617	20354	63123	74132	89232	27809	19809	15751	17487	22076	1198	20700	42512	61753	27761	45679	21229	50048	54784	29307	36974	28969	32327	31658	32672	45089	51660	72565	91896	1340	46300	54891	33039	42773	41609	38985	18521	38834	47536	35643	36399	1360	23430	80425	Phytochemical	0.44444445	1.0555556	0.055555556
8	C18 H19 O8 N1	378.11835	378.11893	-0.07121465	378.11832	107923	115120	85014	102827	74546	46304	40228	67728	96957	272638	163797	51579	142841	37221	49413	74589	65492	96038	110922	193644	271708	203334	62428	80103	26569	79496	40740	82671	53106	49279	57459	64315	80328	56499	369680	54734	80873	46934	79618	185847	584306	47991	1329	0	361	127483	213897	0	66774	65036	104695	110051	62305	260	126345	76824	46489	73753	67042	84651	90244	143607	160632	118746	42956	107660	58319	83187	191641	158389	284608	63147	55550	45736	44264	57664	282	45466	70691	87854	51812	88133	49298	89015	87733	42080	64599	58861	56550	109770	60402	93386	116738	154493	175223	439	110627	103536	77111	90024	87878	67270	44891	94430	79122	74294	65578	0	40819	153015	Phytochemical	0.44444445	1.0555556	0.055555556
12	C18 H19 O8 N1	378.11835	378.11887	-0.071785174	378.11832	220067	209568	212385	218112	147012	113519	118248	154209	197452	622486	347779	94144	229929	74621	105408	141110	135029	228541	244945	478675	609264	477046	140138	158338	91968	269668	94458	252402	132178	100792	121074	115356	186678	122395	893994	114577	173095	105842	152142	511696	544781	110366	4166	648	504	299413	362239	824	131123	133760	214090	210656	145772	788	243158	140591	82705	162676	162995	165288	149365	384490	300871	197995	72494	203073	124274	153214	469090	510409	608014	128343	109020	105957	98052	111663	440	104262	129536	260544	122915	242670	114332	236015	150735	91490	142424	102897	122140	216021	162279	239158	229685	363519	372069	1187	239350	235444	146064	129771	127522	166299	87657	167397	267353	152706	116767	652	98148	304293	Phytochemical	0.44444445	1.0555556	0.055555556
12	C17 H19 O7 N3	378.12958	378.13	-0.13204697	378.12952	40038	0	42564	39274	22021	20752	42833	0	0	29365	20139	26437	26769	10168	0	0	48288	42698	40266	32340	34123	71909	0	0	0	10834	29521	22562	38336	26391	36900	30298	0	25914	48942	0	0	0	0	0	58883	25396	0	0	0	41762	38420	0	39053	0	40850	0	30917	0	31249	16553	20173	0	47380	55191	51650	0	0	0	0	33494	24497	52946	0	26625	35182	0	0	30275	0	0	0	0	0	26110	0	0	0	23047	0	20521	0	31516	33865	97114	34411	63390	73223	0	26792	0	0	0	22999	19938	14561	0	28448	32764	24583	50902	0	0	40687	0	Peptide	0.4117647	1.117647	0.1764706
10	C17 H19 O7 N3	378.12958	378.1302	-0.15024257	378.12952	0	51397	55698	54909	31390	35241	0	66419	35646	0	0	47068	42927	14732	0	0	59801	37738	55620	0	0	0	53870	0	41411	13260	43471	32188	0	56069	51711	0	0	55954	0	49086	0	0	0	76476	84605	0	0	0	0	61107	0	0	55201	0	0	0	36484	0	49389	20764	25365	67780	67828	53990	64809	59045	46537	40682	0	44703	35688	0	23289	39463	40056	47383	47552	44945	0	0	0	0	0	40105	0	0	40650	28199	33134	0	0	39971	0	0	54924	69490	0	59139	58659	0	56311	0	24945	22603	0	64849	0	68443	48148	70483	0	0	0	0	Peptide	0.4117647	1.117647	0.1764706
4	C17 H19 O7 N3	378.12958	378.13022	-0.15412869	378.12952	18814	19156	17768	18361	9297	7109	8824	18241	15911	16850	17151	13626	19542	6052	13602	17963	24544	13403	18017	13934	23369	32823	18290	21532	6520	3771	11463	6610	10140	11917	16038	14713	20279	10566	25082	13809	17114	13107	34307	19429	32873	10262	0	0	0	19833	31723	0	16788	16924	16509	16940	8799	0	16740	14506	8188	17423	14093	22347	20929	14137	20334	16352	11509	15276	10163	25120	9096	7246	10039	13552	12650	10828	6480	13140	0	10480	16254	10769	13029	11510	9200	7974	17163	10555	15139	15803	14976	33903	11111	18416	39260	14736	16698	0	18781	17286	12001	17714	15217	15906	12999	23567	15615	21053	11822	0	12302	21192	Peptide	0.4117647	1.117647	0.1764706
14	C17 H19 O7 N3	378.12958	378.12985	-0.21263495	378.1295	29813	0	17707	25034	13271	17018	25783	0	14300	19214	0	18652	15920	4767	19999	23440	26742	21143	24050	0	19334	39106	24041	32931	24298	6189	17326	10796	25223	15698	22112	20389	0	22514	31751	22141	0	0	31771	23419	26579	16419	0	0	0	0	16231	0	21821	19016	19480	24423	16436	0	0	10077	12995	0	26145	22008	27353	19385	18822	16176	11457	20141	18831	0	0	13043	15018	15711	14519	15984	23187	0	0	0	23034	0	21282	14979	17163	13280	12155	12087	0	0	26091	57581	24421	30435	0	20235	18762	0	18548	25382	13078	8881	9583	26009	0	26849	0	0	14523	0	23320	24147	Peptide	0.4117647	1.117647	0.1764706
22	C22 H19 O5 N1	378.1336	378.13406	-0.10714223	378.13354	1372	0	1602	0	0	1240	1379	1626	0	4809	7405	0	0	0	0	0	0	0	0	3202	3105	0	0	0	0	16000	1375	7222	0	0	0	0	0	0	3109	0	0	0	2045	3359	11178	1588	0	0	0	3370	7034	0	0	0	0	2169	0	0	0	0	1222	1717	0	2259	0	4178	0	0	0	0	0	1333	24168	9692	20808	0	0	0	0	0	0	0	0	5621	0	3107	1423	2797	0	0	2132	0	0	1462	0	0	1873	3279	1910	0	3093	2981	0	0	1419	2325	0	1693	3018	0	0	0	0	0	Phytochemical	0.22727273	0.8636364	0.045454547
20	C22 H19 O5 N1	378.1336	378.13412	-0.05431147	378.13358	2509	3460	0	0	0	1924	2003	0	0	2839	8868	0	0	2256	0	0	1467	0	0	2683	5438	1840	0	0	0	26044	0	8988	1407	0	0	0	0	0	2283	0	0	0	0	3245	8191	0	0	0	0	4729	8790	0	0	0	2373	1638	0	0	0	0	1390	0	0	1245	0	2433	1975	0	0	0	1608	2753	22397	19667	39730	0	0	0	0	0	0	0	0	4582	0	2933	0	0	0	1094	2547	1846	0	1656	0	2003	2178	4981	3732	0	1863	2711	0	0	0	0	0	0	1675	0	1379	0	0	0	Phytochemical	0.22727273	0.8636364	0.045454547
18	C22 H19 O5 N1	378.1336	378.13412	-0.15114577	378.13354	0	0	2596	0	0	0	0	0	0	4873	10345	0	2065	943	0	0	0	0	0	5526	5531	0	0	1538	0	24315	0	8446	0	1609	0	0	0	0	7047	0	0	0	0	3303	8120	0	0	0	0	1238	4657	0	0	0	0	2670	0	0	0	0	1842	0	0	0	0	3032	0	1207	0	0	0	1624	22034	25045	34263	0	0	0	0	0	0	0	0	4388	0	0	0	3085	1710	0	1523	0	0	0	0	0	2999	4006	4866	0	2708	0	1178	0	0	0	0	0	0	0	0	0	2514	0	Phytochemical	0.22727273	0.8636364	0.045454547
6	C15 H23 O10 N1	378.13947	378.13998	-0.28169343	378.13937	16744	19498	22013	22423	17939	12836	10745	25612	23257	26214	19424	15160	44258	8707	17358	15912	20110	36261	32413	26242	38013	25365	19603	23583	8274	8171	12829	10723	10672	19576	20086	20332	25426	19995	37778	19788	24824	13210	20448	19145	27996	19323	0	0	0	20762	25990	0	24596	20472	21113	20677	19168	0	37342	32388	12206	20612	13901	18783	22522	13368	37116	17248	11695	27540	18585	28119	14679	14591	27133	20440	20245	18931	11785	17281	0	12551	15089	11158	8396	13953	9535	9883	28940	16421	15431	24708	18293	28208	15482	16789	31025	17402	18457	0	18775	15666	15955	26989	37412	27327	11728	23715	0	19807	25754	0	10491	36926	Unclassified	0.6666667	1.5333333	0.06666667
10	C15 H23 O10 N1	378.13947	378.13995	-0.21600392	378.1394	59949	64374	62035	65003	77484	59594	32542	67362	122195	87803	68285	47335	176116	39268	52054	59130	55564	144828	131045	90400	99467	77666	66761	60404	29096	48542	35615	36241	54388	51161	43739	50116	58973	44029	100316	56734	74573	49447	47226	66230	79955	61550	2220	0	302	51141	62871	0	50502	51072	65996	58235	70712	383	211302	115115	48896	47044	34757	72021	61588	84815	115915	134133	45702	97857	64525	55038	50513	51503	60659	48966	43862	38049	46375	45788	0	45262	52057	41288	41729	38830	26083	37758	108199	55665	44329	48897	53692	47248	34992	78933	71948	97665	71013	0	59147	92189	71801	87114	110140	82424	37392	62779	0	51865	92764	0	31622	158398	Unclassified	0.6666667	1.5333333	0.06666667
12	C15 H23 O10 N1	378.13947	378.13995	-0.21939684	378.1394	47857	38014	44997	42760	89851	75349	24070	68789	181121	49276	52874	33853	218174	37710	54781	21958	54153	212071	188861	69342	111220	53711	76188	34966	19695	0	10803	18556	53036	27857	43617	31878	68472	27532	106982	37775	44961	43136	44542	32961	46101	74762	1839	0	332	37235	37112	0	26030	38565	48419	29820	88445	318	360354	144538	56073	30486	49087	20385	42019	59805	196737	199751	41812	124575	68629	35950	27716	18014	24199	28631	39206	36764	32966	26453	253	40702	43842	46864	36833	32143	20587	11019	121708	70088	38938	38570	63507	24853	10644	41188	36262	70530	27628	677	44249	75432	104100	88984	114896	59532	42973	30128	38731	31060	132419	0	13997	239176	Unclassified	0.6666667	1.5333333	0.06666667
8	C19 H23 O7 N1	378.15472	378.15527	-0.15738563	378.15466	326486	167595	263910	323764	80165	73347	141902	266268	108193	366484	167560	81499	142840	54061	95457	139485	102600	117574	148805	741072	828126	260075	94900	299376	128100	171502	77356	125531	115198	106079	104872	253952	135473	103885	501845	104789	144597	164112	116765	582810	570674	72131	1706	556	499	199658	428512	320	274340	113891	144219	155769	73125	510	142054	70411	58303	138843	171602	117270	148921	169062	134580	106897	44140	113774	73697	122108	225518	323380	347962	120940	111651	186982	82515	110740	454	78682	199816	99764	85240	230054	93835	268372	81785	48558	189302	144602	86959	157859	111274	187760	400414	162441	465918	917	151599	152148	75910	74247	69235	126627	79361	172595	76216	109117	74900	374	78096	141998	Phytochemical	0.36842105	1.2105263	0.05263158
10	C19 H23 O7 N1	378.15472	378.1552	-0.16023436	378.15466	216301	211212	200447	189946	107062	102541	111690	425270	125543	476842	216779	112976	160169	74838	125465	189329	145457	162409	193169	495069	533859	635378	142981	225184	113374	309645	123699	184947	170083	159962	161385	190458	222215	159630	566188	361300	211924	115735	176358	402195	757866	91505	2675	653	821	259660	247792	533	189898	170365	215755	200634	108240	1304	184663	83881	63945	208748	158114	161425	203461	226381	165328	125737	59445	135554	102665	175279	338407	513617	459324	349608	159611	166381	136056	169201	753	119232	146574	139189	130424	155201	275884	185651	118213	80928	138562	94853	106519	205822	172459	214108	284239	201860	327633	1337	211058	218220	94479	91571	85094	195217	110290	233849	144178	337072	90674	602	126341	177679	Phytochemical	0.36842105	1.2105263	0.05263158
12	C19 H23 O7 N1	378.15472	378.1552	-0.14550641	378.15466	273315	299580	297423	299253	145832	125967	191241	319153	172763	574632	300591	156285	172395	86128	183902	266033	234022	219474	268895	693736	720186	486496	202105	301791	175277	447149	152083	267813	279921	230073	239707	255856	287130	215646	784496	236282	261319	173795	259876	563254	545801	142910	3706	1102	858	363435	360652	871	275143	253251	297080	278528	151310	1046	237435	115465	101514	264216	258336	254243	319558	333960	215768	180409	86212	188094	152175	260563	499174	776804	690996	224974	239594	244707	194905	226307	615	181337	177325	214922	195062	239507	211197	304182	133804	107106	185358	125013	158491	332211	296913	356857	372202	268850	357871	2191	297144	311668	139118	106064	115128	272020	166103	299755	249751	239778	132968	819	178686	247787	Phytochemical	0.36842105	1.2105263	0.05263158
6	C19 H23 O7 N1	378.15472	378.1553	-0.14181262	378.15466	97043	103118	196562	200872	62609	51157	80496	88841	75609	256048	113322	49708	102823	37158	61295	96183	121968	89276	100289	428422	564440	320578	125534	206602	78768	105026	43878	88649	72097	128668	133832	83369	97735	135650	326289	141110	190742	106762	77716	142042	186924	46583	1484	399	515	108975	147599	360	191054	133624	200104	92655	56317	699	99886	53743	31625	180270	53936	76332	168524	105810	94289	69143	26978	80076	126574	86399	127440	186313	234066	71242	129538	65434	43661	62120	448	46357	58006	67110	99888	65803	51102	78009	62457	41794	59691	94744	55335	175704	82205	220852	126153	208046	319514	685	192152	178628	38500	53023	54749	94656	92280	107454	62306	70479	49028	393	45119	109546	Phytochemical	0.36842105	1.2105263	0.05263158
4	C19 H23 O7 N1	378.15472	378.15536	-0.1591367	378.15466	41473	42392	36979	37192	27174	24281	16422	36124	33270	88084	45036	21366	50107	21715	24820	34957	33619	38905	45177	81463	96983	69054	55518	38040	17091	44953	17335	29964	28850	22014	28162	26181	39253	23717	117301	29839	35210	20636	40566	61162	140636	22088	0	356	511	46504	68428	347	33018	26246	39651	33946	24962	492	47595	27204	17809	31894	22479	34967	33892	43996	45117	38014	15694	37486	20587	34107	56832	61056	80925	26954	21776	26894	18296	23768	438	21055	56628	34202	49546	30051	22790	30294	32093	19126	26421	19954	23483	74052	34923	43752	104122	46483	69810	1339	33605	44631	26023	32589	31063	35621	21017	44952	36203	62344	25352	650	18649	47331	Phytochemical	0.36842105	1.2105263	0.05263158
12	C18 H23 O6 N3	378.16595	378.16663	-0.22838832	378.16586	53180	53168	61056	0	24215	27001	0	0	22897	0	0	0	16025	9403	0	48095	0	33171	38418	0	0	103459	57628	0	57924	13478	40456	26743	0	0	66509	0	0	0	0	56944	0	48426	0	65326	53734	30721	0	0	0	0	59924	0	63766	67300	63016	0	0	0	31873	0	20553	0	69080	54169	78409	41791	0	21664	18854	24378	33826	101059	0	28546	27475	58214	0	52828	0	54810	0	0	53086	41647	50433	42422	56012	40138	12631	0	57651	0	33655	121266	93144	0	122532	45058	46214	0	64720	56376	19394	12135	8100	62274	47795	66210	38748	0	0	0	55216	32128	Peptide	0.33333334	1.2777778	0.16666667
22	C21 H24 O4 N1 Na1	378.16757	378.16782	-6.68291E-4	378.16757	0	1529	1443	0	0	0	3484	0	0	0	0	2587	0	0	1145	1820	1387	0	0	0	0	2843	0	0	6745	0	3668	0	0	0	0	8616	5878	3561	0	4431	1949	0	3194	0	0	0	0	0	0	0	0	0	1201	0	1825	0	0	0	0	0	0	0	0	0	0	0	0	0	1802	0	0	3607	0	0	0	1500	2171	3164	25721	0	0	0	6771	0	0	0	0	0	0	1187	9780	0	0	15708	0	0	10173	0	0	0	0	0	0	0	0	4665	2588	0	0	0	0	0	6712	0	Phytochemical	0.1904762	1.1428572	0.04761905
8	C15 H27 O6 N3 S1	378.16934	378.16965	-0.23760547	378.16925	3285	4399	1602	1889	0	3425	0	0	0	2570	2585	0	0	0	0	0	0	0	0	0	0	0	0	1472	0	2429	0	39168	0	0	721	0	0	0	0	0	981	0	0	0	921	0	0	0	0	0	0	0	0	0	3246	3404	0	0	0	0	0	1293	0	0	0	0	0	0	0	0	0	0	0	1703	0	0	0	0	0	0	0	0	0	121248	0	0	0	0	0	0	0	0	0	1632	319716	74514	0	17824	2597	0	2691	3681	0	0	0	0	0	0	0	0	0	0	828	0	Peptide	0.4	1.8	0.2
10	C15 H27 O6 N3 S1	378.16934	378.1691	-0.36956814	378.1692	0	0	0	0	0	0	0	0	0	0	1970	0	0	0	0	0	0	0	0	2982	0	0	0	1653	0	4433	0	4119	0	0	0	0	1349	0	0	0	0	0	0	0	1049	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1563	0	0	0	0	0	0	0	0	0	0	0	2951	3879	0	0	0	0	0	0	689	0	7729	0	0	0	0	0	0	0	816	0	2242	33912	7775	0	2014	2869	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.8	0.2
4	C15 H27 O6 N3 S1	378.16934	378.1697	-0.30930614	378.16922	538	1198	0	0	0	807	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6768	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	455	0	0	549	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	302	0	0	0	0	0	19632	0	0	0	0	0	0	0	0	0	600	40303	16865	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.8	0.2
6	C15 H27 O6 N3 S1	378.16934	378.16968	-0.21790214	378.16925	0	2572	3362	1714	0	4174	0	0	0	0	0	524	0	0	0	1822	0	613	0	0	0	0	0	0	0	918	0	12364	0	0	0	1458	0	0	0	2056	0	1268	0	0	0	0	0	0	0	0	0	0	0	0	694	2942	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1020	22602	0	0	0	0	0	0	0	0	0	2758	286454	132774	0	5046	0	0	1396	0	0	0	0	0	0	0	0	2400	0	0	0	0	Peptide	0.4	1.8	0.2
18	C16 H27 O9 N1	378.17587	378.1762	-0.25783575	378.17575	20153	12638	18979	21034	16699	13587	9934	20182	32209	17268	5383	9416	54711	10243	18535	18783	8027	44096	40823	17615	13218	12137	17019	17128	16848	1819	5049	6244	19094	17166	17926	17430	28601	15494	22182	19647	21474	13165	7022	10027	2406	19214	1058	0	596	8266	3207	390	17247	10454	21132	19325	18376	489	78022	31278	12694	14015	16065	2935	11374	10036	31471	30433	10589	22783	14164	7780	0	7117	0	11773	11936	16971	7422	11164	486	10935	8391	9242	9961	4390	8574	5322	18685	17110	12209	8282	13091	7179	11895	22232	22539	8218	9997	0	15566	17786	15693	16412	18147	24216	8378	13248	4864	14065	19066	425	8281	36023	Lipid	0.5625	1.6875	0.0625
14	C22 H28 O1 N1 S1 Na1	378.18622	378.18732	-0.4212041	378.18604	2496	0	4340	0	0	0	2955	0	0	0	0	2059	0	0	1148	8734	0	0	0	0	0	0	0	0	0	0	0	0	38300	24497	16242	0	0	32364	0	13464	0	0	4368	0	0	0	0	0	0	0	0	0	21508	2975	0	0	0	0	0	0	0	8860	0	0	0	0	0	0	0	0	0	4269	0	0	0	14575	0	6826	5036	22340	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3872	3332	0	0	0	17134	0	0	0	2816	0	0	0	0	Organosulfur	0.045454547	1.2727273	0.045454547
0	C15 H27 O8 N3	378.1871	378.1878	-0.2527193	378.18698	5163	4923	4720	4738	4846	11526	0	9549	1903	1136	0	2178	10145	0	1856	0	1618	14460	6827	0	1485	2819	2268	5927	2202	0	0	904	12480	3237	7742	10300	23201	26523	1620	9534	19663	1748	2102	0	0	10224	0	0	0	2090	0	0	10941	4254	5283	4567	6060	0	3217	1263	0	6196	0	0	2292	0	7119	3239	1356	9280	8098	2703	0	0	0	30148	34159	8300	0	9894	0	3001	1445	2640	0	0	0	0	1073	0	0	10152	7455	1940	3500	0	5150	0	0	0	5050	3528	997	1744	960	9112	2230	0	0	6985	1594	0	0	17106	Peptide	0.53333336	1.8	0.2
12	C20 H27 O6 N1	378.1911	378.19156	-0.22177428	378.19104	143003	146884	143066	135628	52358	66829	137673	205263	59877	200348	111786	118445	59811	37510	111082	152850	187655	85720	117329	286764	270206	187723	117458	146302	92231	165388	106258	91192	187257	158381	158180	181713	191857	180477	272589	193907	161917	113929	226906	192635	206615	68584	1251	433	556	139198	129743	553	173093	156177	142218	126520	69055	855	76515	40704	43632	169061	58828	130386	132798	95586	66265	61110	38242	79463	73256	260350	164107	246685	241501	171467	201362	197033	164629	171139	525	127373	116119	96176	107010	74416	79612	110191	52545	53795	111407	63343	91176	209631	147331	150058	220761	80421	121399	968	158864	163930	46711	39020	45635	176263	115595	173621	58161	135290	44591	398	107209	80896	Lipid	0.3	1.35	0.05
24	C20 H27 O6 N1	378.1911	378.19144	-0.19086908	378.19104	53379	50024	51123	53869	60970	35383	16632	39119	45261	99206	54916	27487	75792	29420	30679	49621	38241	57412	70017	91164	102480	56636	36508	55034	25690	85538	20121	62477	30924	34326	32521	38416	42465	0	108225	41310	46683	24644	37743	79990	68575	33319	4238	0	0	51505	53555	1940	45517	30540	52835	45391	45250	0	48738	44180	22236	44359	25610	28629	54134	53956	52391	41579	17479	65531	35854	35486	87858	118882	104047	44840	40287	33943	32194	27969	0	25421	32040	36871	31360	34309	27987	51235	54406	25974	34641	36229	36069	43747	36620	47182	59735	39417	63369	0	49930	50202	36633	43921	52117	53852	23884	49018	32880	42828	37068	0	29185	62813	Lipid	0.3	1.35	0.05
26	C20 H27 O6 N1	378.1911	378.1915	-0.18437357	378.19104	10346	8539	11343	10108	11904	7441	3366	8050	10449	12312	8088	6479	17828	6623	6796	9971	0	13659	14104	14420	16087	14826	7346	14307	0	14994	3974	8936	8597	7482	6877	7459	10972	15694	12684	9324	9819	5172	7215	12465	12293	6972	0	0	0	6602	9823	0	6114	8436	10613	10415	9496	0	8046	8420	4804	14363	3971	5869	12297	6973	10777	8062	0	17383	5077	6434	19140	22211	27814	13795	12055	8567	7915	9250	0	5710	9372	0	7954	5070	4393	5702	8744	0	9732	8828	8110	11303	9668	7022	14973	5546	9770	0	8956	12098	3892	14232	12584	11619	4558	10193	0	7779	6247	0	5545	13372	Lipid	0.3	1.35	0.05
22	C20 H27 O6 N1	378.1911	378.1915	-0.15683204	378.19104	152738	146890	136897	137928	147792	103774	63977	128760	116216	239026	153962	89136	194501	109163	92202	149723	105120	164025	157363	284116	291729	177205	106253	161287	88679	297583	71025	140045	144125	119145	113748	133328	132812	150379	225598	136022	149064	76762	96811	197677	190670	85952	7814	0	1221	139574	132593	0	135676	108399	141590	135417	122849	3082	135125	123100	75504	135359	94661	87287	147331	142162	171913	119586	53731	172134	108414	100596	260331	332958	345532	147369	114268	106755	87447	113299	1465	84179	112405	95861	85412	89871	91203	130602	125008	85935	114637	102192	96441	136925	154518	162561	240002	122978	182116	3028	136416	159705	100443	151178	168211	170524	80303	160094	96304	139377	105454	0	87907	174048	Lipid	0.3	1.35	0.05
8	C19 H27 O5 N3	378.20236	378.20285	-0.25645787	378.20224	22348	23068	24442	24132	7264	12945	11940	22267	5450	20193	11629	12571	4594	5172	15392	25958	16373	12335	11833	25288	21641	27915	15677	28523	19139	6401	10913	21926	21228	20047	19109	23355	24010	19181	23732	20105	24696	16279	21487	25272	19694	10115	0	0	0	24169	18791	0	27225	18470	22007	20895	10450	0	8525	2075	6297	24262	3626	7422	20539	12179	5044	6873	4750	11190	9539	22971	5482	18218	11530	22131	19822	16760	13342	16711	0	15897	12602	51383	13667	7602	9531	15959	4354	6752	12487	13334	11347	31241	244506	94819	48513	27071	24575	0	22607	18107	4432	1569	2135	21003	10811	23061	0	24184	2707	0	15802	5994	Peptide	0.2631579	1.4210526	0.15789473
12	C19 H27 O5 N3	378.20236	378.2028	-0.29696727	378.20224	11887	12870	11665	8791	2855	2827	9330	16241	4156	10378	2639	8074	1877	2153	12991	13436	12599	5762	7548	10951	13340	14497	7838	16436	10237	3908	8240	0	10922	7864	14210	13315	13996	13401	11385	11200	14637	9266	17518	13720	12774	4477	0	0	0	8758	13070	0	15392	9778	12326	7644	4200	0	4356	956	2723	11517	4785	0	0	6669	1316	2086	2578	2939	6699	13230	0	10476	13388	14330	9598	9025	7733	11206	0	5570	9966	0	8954	6365	9454	10757	1664	2976	9875	7811	5422	26596	30074	18844	30304	9622	14037	0	11909	10152	0	0	2383	9518	8618	10272	0	11714	2312	0	11338	3323	Peptide	0.2631579	1.4210526	0.15789473
10	C19 H27 O5 N3	378.20236	378.2028	-0.2592836	378.20224	18650	18568	17268	15447	4704	6114	8878	17301	4081	15068	6271	8562	4319	4549	15013	22923	8421	6854	11005	22520	18244	25866	15411	23968	20028	7857	12444	9403	18026	12391	14990	20572	26453	19924	19461	15789	26061	14005	15464	22260	12257	6498	0	0	0	17353	16385	0	21665	19645	16164	17096	5036	0	6925	1216	3747	26910	7916	8288	24609	8553	3096	2391	2388	5675	9496	19525	0	15803	9394	21570	14410	16890	16449	14495	0	12485	17781	25418	11504	8799	8654	12899	1654	4868	18445	10220	7675	33051	71786	31587	45072	15761	20177	0	14772	16710	1840	1499	1548	19007	11314	19523	0	19563	1867	0	16391	5281	Peptide	0.2631579	1.4210526	0.15789473
12	C22 H28 O3 N1 Na1	378.20398	378.20438	0.22279464	378.20404	1887	0	0	0	0	0	0	2939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38516	0	12304	9364	0	3264	0	17305	0	0	0	0	0	0	0	0	0	0	0	0	5759	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6169	4866	0	4926	0	1223	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.13636364	1.2727273	0.045454547
2	C16 H31 O5 N3 S1	378.20572	378.20612	-0.21752906	378.20563	1802	2694	1842	1688	0	0	0	0	0	0	1084	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30390	0	0	0	0	528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2085	1564	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	220759	0	0	0	0	0	0	0	0	0	0	284808	113263	0	6811	0	0	2162	2049	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3125	1.9375	0.1875
4	C16 H31 O5 N3 S1	378.20572	378.20605	-0.5014236	378.20554	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10183	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	87963	0	0	0	0	0	0	0	0	0	0	18768	3838	0	3145	0	0	0	794	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3125	1.9375	0.1875
8	C16 H31 O5 N3 S1	378.20572	378.2058	-0.45156974	378.20554	0	0	0	983	0	5600	0	0	0	0	1366	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6310	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4112	0	0	0	0	0	0	0	0	0	0	66082	22361	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3125	1.9375	0.1875
6	C16 H31 O5 N3 S1	378.20572	378.20587	-0.4001244	378.20557	1234	987	0	0	0	1129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7504	0	0	0	0	0	0	0	0	0	0	0	0	0	605	0	0	0	0	0	0	0	0	0	1267	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53763	0	0	0	0	0	0	0	0	0	0	52380	17000	0	2321	0	0	0	0	0	0	0	0	554	0	0	0	0	0	0	0	Peptide	0.3125	1.9375	0.1875
18	C23 H32 N1 S1 Na1	378.2226	378.22324	0.3432907	378.22272	0	0	0	1652	1531	3211	1041	0	0	0	0	0	1418	65493	0	0	0	0	0	0	0	0	0	0	0	0	1111	2964	0	0	0	0	0	0	0	0	0	0	0	0	0	3675	7037	4962	2705	0	0	3596	0	0	1844	0	0	2830	0	0	6142	0	34194	0	0	1753	0	0	6149	3170	14964	0	1508	0	0	0	0	0	0	0	2354	0	0	0	0	0	0	0	1693	6642	0	1550	0	0	0	0	0	0	0	4266	2907	2556	0	0	1413	0	0	87518	8060	0	0	4702	0	0	Organosulfur	0.0	1.3913044	0.04347826
6	C21 H31 O5 N1	378.2275	378.22806	-0.2343847	378.22742	48958	43543	42960	40202	5457	58624	34691	86495	3680	40980	18471	33775	4451	3420	37620	115701	43442	6857	18137	62606	52552	41633	29705	77913	45148	17654	34569	18946	78057	56365	69658	78306	72058	58563	53222	71396	69857	37467	62617	39034	20358	17231	0	0	0	31855	32641	0	96955	60729	43188	43730	9833	0	6432	2604	7945	110940	931	2347	107606	19006	4035	5697	6519	6013	15696	72104	12433	37630	26974	61189	61161	69386	61236	56770	0	37415	27670	23966	26145	5772	10311	29496	3236	6577	25654	14532	22109	59963	58770	25876	79464	28077	47443	0	45281	39052	3276	3302	2821	63201	30080	61321	12165	211663	3311	0	34863	6350	Lipid	0.23809524	1.4761904	0.04761905
28	C21 H31 O5 N1	378.2275	378.22784	-0.08292637	378.22748	2640	4443	2218	0	14346	1473	2035	0	11934	1234	2029	1028	8612	1936	0	2703	4760	5079	13701	2181	1924	1086	2061	2720	0	4828	2012	3161	0	2328	2489	1729	4240	2864	3228	3505	3324	1055	3798	1310	2487	3173	0	0	0	0	0	0	1998	0	2271	4006	3473	0	19903	11210	4203	6720	0	1292	3981	0	7176	5037	0	13312	1950	6627	3896	3971	6528	1690	1819	0	0	4661	0	1534	1336	0	2601	0	1272	2460	13084	0	4794	4007	3078	15413	3803	3355	4053	1330	0	0	2318	4571	7375	23266	19442	9601	0	0	0	1967	7385	0	1763	9253	Lipid	0.23809524	1.4761904	0.04761905
26	C21 H31 O5 N1	378.2275	378.22787	-0.1859878	378.22742	23721	18148	17640	21073	40552	18203	8172	25000	21890	20851	20068	17242	24001	17033	14115	19739	15745	25832	39949	30479	39110	20520	8218	16099	13606	35825	6856	23323	21308	20594	33567	14439	28763	15898	26609	21382	24446	17369	19405	27440	23921	16359	0	0	0	19594	11285	0	24138	17201	18416	21203	22623	0	34666	17666	10708	19913	14711	10061	25054	15113	24544	26582	10539	23021	19075	19968	33318	43936	48419	16405	20136	18834	8866	17750	0	16229	15832	16960	12707	12606	13235	19234	24175	13890	24928	16192	16478	24883	22139	25514	26383	14429	17816	0	21909	24930	22984	26365	29329	32818	14486	21186	14225	18182	24388	0	16252	25496	Lipid	0.23809524	1.4761904	0.04761905
4	C21 H31 O5 N1	378.2275	378.22812	-0.214131	378.22742	17787	19022	17825	17963	1410	25611	11946	40406	1302	17030	8874	18489	1525	1252	18997	34175	23632	4665	5049	24720	23418	21187	16921	32559	18340	10404	15435	6781	31234	29434	29201	35841	32218	23765	22321	33827	30589	14992	24981	19366	13110	8775	0	0	0	14103	12249	0	37048	35851	19517	16843	5524	0	2016	537	3583	27955	678	1093	25124	9232	968	2725	3134	2855	6146	27941	7086	9828	13135	27771	25643	42656	25723	25551	0	20091	12053	12028	12719	3478	5329	10685	2530	3440	12201	8203	9806	22419	33154	12323	33549	12596	24988	0	17567	22978	1690	727	1208	24589	16178	37679	5770	22576	1154	0	15329	1480	Lipid	0.23809524	1.4761904	0.04761905
20	C18 H35 O5 N1 S1	378.23087	378.23114	-0.23042183	378.23077	5639	5777	4659	3608	0	1683	0	8907	0	0	0	932	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18140	8163	16370	31406	103565	178457	0	17110	92739	0	0	0	0	0	0	0	0	0	0	0	5722	5296	2970	8286	0	0	0	0	0	1568	0	0	0	0	0	0	0	0	2428	0	0	0	0	41950	28668	0	0	3094	0	9525	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2424	4236	0	0	0	26624	1583	0	0	6428	0	0	0	0	Organosulfur	0.2777778	1.9444444	0.055555556
12	C20 H31 O4 N3	378.23874	378.2391	-0.08517395	378.2387	10594	9942	9757	9098	0	18132	0	2451	0	0	3668	0	0	0	0	2008	0	0	0	0	0	0	0	0	1369	0	0	129120	2021	893	1140	0	5006	0	0	1580	3159	0	1866	0	0	3336	0	0	0	0	0	0	2339	1151	9024	9897	1134	0	0	0	0	2021	0	0	0	0	0	0	769	0	0	0	0	0	0	0	0	0	0	0	0	0	0	987254	0	0	0	0	0	0	2698	2540	1181	0	595521	172227	3392	63784	4470	0	10199	9218	0	0	0	0	1147	0	0	1529	0	0	0	0	Peptide	0.2	1.55	0.15
14	C20 H31 O4 N3	378.23874	378.23874	-0.39650324	378.2386	0	0	1642	3142	0	0	0	0	1251	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8046	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1535	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1069	0	0	0	43710	0	0	0	0	0	0	0	0	0	0	227470	35721	0	7635	2028	0	1594	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2	1.55	0.15
10	C20 H31 O4 N3	378.23874	378.2391	-0.17949958	378.23868	8200	8062	8481	6996	1388	5398	0	1708	0	0	4653	879	0	1547	0	1999	1353	1016	0	0	0	0	0	1623	0	0	1334	118377	0	0	0	2168	4076	2007	0	0	0	1028	1132	0	0	1722	0	0	0	0	0	0	2943	2786	8183	8625	1173	0	0	0	723	1894	0	0	0	0	0	0	0	0	0	1634	0	0	0	2515	1935	2012	0	0	0	802	0	1071084	0	0	0	0	0	1256	1698	1249	1287	3829	503933	68319	5881	61782	3561	0	10459	9049	0	0	0	1549	1284	0	0	1876	732	0	0	0	Peptide	0.2	1.55	0.15
16	C20 H31 O4 N3	378.23874	378.23883	-0.31294212	378.23862	0	1451	1529	0	0	1537	0	0	0	0	0	0	0	1550	0	0	0	0	0	0	0	0	0	0	0	0	0	6542	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2553	1904	0	0	0	0	0	1800	0	0	0	0	0	0	0	0	0	0	0	1560	1431	0	0	0	0	0	0	0	0	30164	0	0	0	0	0	0	0	0	0	0	199591	18498	0	2216	0	0	2259	0	0	0	0	0	1184	0	0	0	0	0	0	0	Peptide	0.2	1.55	0.15
22	C16 H32 N7 S1 Na1	378.24103	378.24167	0.04701165	378.24106	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1554	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3856	0	1463	0	0	0	0	1574	0	0	0	1674	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1029	0	0	1563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4286	0	0	Organosulfur	0.0	2.0	0.4375
20	C18 H35 O7 N1	378.24863	378.24896	-0.3227334	378.2485	0	0	0	0	0	0	7351	0	0	0	0	0	0	0	0	1930	20407	0	0	0	0	0	0	0	0	0	3079	5240	0	0	0	0	0	0	0	0	0	0	21560	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14813	0	0	0	0	0	3266	4868	0	0	0	0	0	0	0	2145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1712	947	0	1268	0	0	0	0	0	Lipid	0.3888889	1.9444444	0.055555556
22	C18 H35 O7 N1	378.24863	378.24878	-0.14123255	378.24857	5415	7153	7860	6494	0	0	7236	0	0	0	0	0	0	0	0	1657	10290	0	0	0	0	0	0	0	0	0	1263	1470897	0	0	0	0	1321	0	0	0	0	0	12202	0	0	0	0	0	0	0	0	0	0	0	6209	6379	0	0	0	0	0	0	0	0	0	0	0	0	1329	0	0	0	0	0	0	0	0	0	0	0	0	0	0	99262	0	2078	2129	0	0	0	0	0	0	0	5150	3561	0	5976	1788	0	10401	10329	0	0	0	1441	0	4092	0	0	0	0	0	0	Lipid	0.3888889	1.9444444	0.055555556
10	C22 H35 O4 N1	378.2639	378.2643	-0.2576126	378.2638	10262	8724	10452	7060	1208	2884	10119	25660	0	3299	4173	10181	0	0	13349	30357	11448	1833	2513	8693	5989	2390	7758	15659	19791	1982	8780	2589	23229	24381	20180	38474	17015	21607	6193	37223	16281	8538	10727	5096	0	2486	0	0	0	4793	2960	0	32666	20127	9126	13498	3859	0	0	0	0	25889	0	0	28501	0	0	0	1437	0	1888	26375	0	5186	2507	19847	15501	24300	30332	22004	0	10424	4832	0	7544	0	0	5012	0	574	14224	2644	3147	23078	21929	0	20026	4089	7215	0	9663	9523	0	0	0	14728	10962	6353	0	34035	1514	0	12254	0	Lipid	0.18181819	1.5909091	0.045454547
8	C22 H35 O4 N1	378.2639	378.2644	-0.17561318	378.26382	5970	4851	4177	5191	0	1209	6031	14280	0	3865	1724	5431	0	0	5667	12012	4361	0	0	4473	3939	2003	2157	7429	7510	713	7930	0	10273	12496	9370	12005	5969	7242	2428	16651	7453	4841	5079	2631	0	1291	0	0	0	1542	0	0	10303	13507	3433	3803	0	0	0	0	560	11111	0	0	9385	0	0	1073	0	0	830	7202	0	1284	0	7446	11994	14800	11710	24152	0	5843	4202	2703	2978	0	0	1988	0	0	6916	0	1457	20555	0	0	13696	1990	4553	0	4532	3927	0	0	0	6236	4116	3488	0	7858	0	0	4646	0	Lipid	0.18181819	1.5909091	0.045454547
12	C22 H35 O4 N1	378.2639	378.2643	-0.1763324	378.26382	7228	10060	9898	8766	1657	3345	20045	25928	1063	4490	4364	10687	0	2756	8974	25607	9643	0	4033	7560	3221	0	7864	10945	19160	1720	22526	0	23126	20976	26897	23045	16694	17656	5781	21298	13694	11573	7668	3706	0	3058	0	0	0	4211	0	0	30177	25272	10735	7857	3320	0	0	0	1734	25083	0	0	21813	0	0	0	1825	0	4949	28887	0	4100	3523	24019	16838	18347	11686	17578	0	13209	6361	0	6597	0	0	2579	0	957	95327	2128	3767	255485	26821	0	25143	3905	6921	0	11864	10135	0	0	0	16660	12242	4464	0	28641	0	0	7576	0	Lipid	0.18181819	1.5909091	0.045454547
22	C22 H35 O4 N1	378.2639	378.2642	-0.2551308	378.2638	8883	10503	11750	11826	4011	12814	10877	12797	4929	8030	13397	7297	0	11232	6096	35406	25326	5817	13519	11798	9861	12858	6853	7545	19314	16000	12323	9492	12424	35014	16648	18012	15408	23336	7215	40806	7842	6238	29159	11024	10996	20786	6307	0	0	14814	24924	0	26106	28296	10285	7665	13878	1999	2676	4676	4135	18716	1840	28358	32406	3385	3859	2066	3763	7364	18992	27633	6607	22946	30234	17884	21524	31296	18763	13768	0	5442	13830	9980	6786	4373	6528	5859	7037	5187	33760	23072	17388	150340	26206	19906	16845	6003	14673	0	14191	22104	4564	4428	6925	18127	5991	23784	4425	36026	8961	0	21454	3989	Lipid	0.18181819	1.5909091	0.045454547
26	C22 H35 O4 N1	378.2639	378.26428	-0.20299022	378.2638	17351	18112	14139	16776	13409	7784	14064	27366	7656	9266	21368	21670	6211	10574	23319	74653	43889	11393	13019	22437	17507	15978	9060	17461	33135	45601	28176	32236	24561	38005	30403	24147	24879	13648	13416	34310	28345	20823	48700	16213	22624	75778	0	0	0	10112	8232	0	25620	26745	21981	17992	10991	0	11717	31038	18467	28799	9655	9550	20592	11506	6735	7591	5891	9174	12507	31166	28912	23675	28174	10354	10023	21342	26374	23425	0	42057	14948	26402	7676	7083	11916	17732	17243	25490	37427	17186	15767	38827	26407	30218	18929	24333	20986	0	16378	19090	17919	10222	14963	62331	80182	23728	8357	22092	10942	0	32736	5550	Lipid	0.18181819	1.5909091	0.045454547
14	C22 H35 O4 N1	378.2639	378.26422	-0.24965127	378.2638	9646	5676	3871	4994	0	4783	6414	30521	0	0	0	18789	0	0	15883	38545	5561	0	0	6014	1790	0	7184	12836	34756	2380	15868	0	36525	33347	27697	37722	14039	29921	2753	41077	12611	9082	1614	2456	0	4135	0	0	0	3053	0	0	30148	33014	5593	3431	1568	0	0	0	2142	12627	0	0	31458	0	0	0	0	0	7523	7028	0	3741	1346	22971	24749	28310	26257	24423	0	13258	2123	0	2188	0	0	1080	5311	0	6486	7951	4860	37811	16944	0	51283	0	3171	0	7801	8538	0	0	0	18181	14981	2290	0	47676	0	0	5340	0	Lipid	0.18181819	1.5909091	0.045454547
18	C22 H35 O4 N1	378.2639	378.26425	-0.16528347	378.26382	0	1593	1855	1950	0	0	1357	0	0	0	0	0	0	0	0	3885	0	0	0	0	2105	1956	1397	3293	5272	0	2439	2274	3290	3090	2020	0	0	0	0	4054	1714	1477	0	0	0	1790	0	0	0	0	1217	0	0	1732	2638	0	0	274	0	0	0	2890	0	0	0	0	0	0	0	0	0	2634	0	0	0	2257	3371	1504	1858	0	0	1517	0	1746	1560	0	0	1397	0	0	2563	0	0	15736	41746	0	3263	2210	4946	0	1549	2518	0	0	0	2351	0	0	0	1731	0	0	4141	0	Lipid	0.18181819	1.5909091	0.045454547
16	C22 H35 O4 N1	378.2639	378.2642	-0.21075283	378.2638	7635	7376	4855	9476	0	2275	7288	9513	0	0	3864	6940	0	2417	5268	8077	4226	0	0	2696	0	0	5013	7803	6082	0	15508	6668	6643	7868	7421	22730	13978	7363	3996	5012	8293	9144	2085	3448	0	0	0	0	0	4719	5611	0	19921	9298	8690	9362	1352	0	0	0	0	26210	0	0	11660	0	0	0	1399	0	1221	25350	0	3456	1905	9389	9625	5145	14375	14628	0	8176	5840	0	4683	0	0	5935	0	0	7651	9234	2118	79078	11824	0	0	1239	4002	0	10359	4515	0	0	0	10225	8370	3311	0	12363	0	0	7480	0	Lipid	0.18181819	1.5909091	0.045454547
4	C19 H39 O6 N1	378.285	378.28568	0.19241615	378.2851	0	0	0	0	0	0	0	0	0	0	0	0	0	691	0	0	0	0	0	0	0	0	0	465	0	0	1030	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20376	0	5426	0	0	0	0	0	0	1458	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	464	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1529	Lipid	0.31578946	2.0526316	0.05263158
16	C23 H39 O3 N1	378.30026	378.3006	-0.17266685	378.3002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1839	0	0	0	0	1630	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2118	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2577	0	0	0	0	0	0	0	0	0	0	0	0	5497	0	0	103810	0	0	0	0	1672	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13043478	1.6956521	0.04347826
12	C23 H39 O3 N1	378.30026	378.30063	-0.21005288	378.3002	1804	0	2565	3224	0	0	0	32826	0	0	0	13778	0	0	1372	20779	0	0	0	0	0	0	0	0	8398	0	1340	0	2086	15798	14784	0	0	0	0	4195	1337	0	0	0	0	0	0	0	0	0	0	0	4240	34657	2218	2803	0	0	0	0	0	5181	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17042	1169	2489	0	11816	2500	0	0	0	0	0	0	0	6597	0	0	519454	0	0	13319	0	0	0	2270	2930	0	0	0	0	10085	0	0	0	0	0	5114	0	Lipid	0.13043478	1.6956521	0.04347826
14	C23 H39 O3 N1	378.30026	378.30054	-0.16226117	378.3002	0	4658	2918	1912	0	0	0	22300	0	0	0	8925	0	0	0	13127	0	0	0	0	0	0	0	0	0	0	2220	0	0	10504	20030	0	0	0	0	2481	0	0	0	0	0	0	0	0	0	0	0	0	4568	24054	0	1608	0	0	0	0	0	7444	0	0	0	0	0	0	0	0	0	0	0	0	0	3348	0	14629	1889	2233	0	3740	0	0	0	0	0	0	0	0	5838	0	0	114916	3579	0	3324	0	0	0	1963	2976	0	0	0	0	9441	0	0	1694	0	0	0	0	Lipid	0.13043478	1.6956521	0.04347826
8	C23 H39 O3 N1	378.30026	378.30093	0.12614034	378.30032	2619	0	2117	2668	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2211	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1681	0	0	147787	0	0	4674	0	0	0	2369	2425	0	0	0	0	0	0	0	1200	0	0	2480	0	Lipid	0.13043478	1.6956521	0.04347826
10	C23 H39 O3 N1	378.30026	378.30075	-0.19930352	378.3002	0	2122	2300	960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1127	0	0	0	0	0	4893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2561	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1096	0	0	0	0	1705	0	0	0	0	0	0	0	5688	0	0	160459	0	0	14653	0	0	0	1267	1961	0	0	0	0	0	0	0	1968	0	0	2705	0	Lipid	0.13043478	1.6956521	0.04347826
24	C20 H43 O5 N1	378.3214	378.32123	-0.16085768	378.32135	0	0	0	0	811	0	0	0	0	0	0	0	0	22228	0	0	0	0	3025	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	973	0	0	0	0	0	0	0	0	0	0	1288	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	2.15	0.05
16	C24 H43 O2 N1	378.33667	378.33685	-0.14387807	378.3366	0	0	0	0	0	0	0	9772	0	0	0	0	0	0	6214	0	0	0	0	0	0	0	0	0	5661	0	0	0	0	0	156381	0	0	0	0	2578	0	4649	0	0	0	0	0	0	0	0	0	0	2015	3016	0	0	0	0	0	0	0	1502	0	0	0	0	0	0	951	0	0	0	0	0	0	3949	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.083333336	1.7916666	0.041666668
26	C16 H10 O11	379.0296	379.02997	-0.082830235	379.02954	3371	2834	0	2264	8057	4210	0	0	6943	0	0	3617	11058	4229	0	0	0	15540	14377	0	0	0	0	0	0	0	2002	0	0	0	0	0	0	0	0	0	2047	0	0	0	0	0	0	0	0	0	0	0	0	0	3908	2427	5383	0	9810	0	0	0	0	0	0	0	18224	8634	2543	8471	2720	0	0	0	0	0	0	0	0	0	0	0	6295	0	8062	0	0	0	15589	0	4368	3125	3339	1671	0	0	0	0	0	0	2249	0	2488	7234	9956	0	0	0	0	1471	5677	0	0	21689	Phytochemical	0.6875	0.625	0.0
28	C16 H10 O11	379.0296	379.02988	-0.10805618	379.02954	4291	3227	3320	5018	12678	5648	6783	0	11372	0	0	6511	19872	8453	2884	3476	0	19792	21273	0	0	0	7058	0	0	0	10660	0	0	0	3412	1023	2436	1873	0	0	2515	4084	886	0	0	3037	0	0	0	0	0	0	2010	0	4803	5103	9004	0	14007	7086	2638	2368	0	0	4167	0	25321	12497	3417	13941	3598	1592	0	0	0	1664	0	0	0	0	0	3592	7897	0	8506	0	0	0	14119	5135	6611	4277	5271	4171	0	0	2797	1290	0	0	5163	4641	4051	7981	9994	3207	3675	0	0	1793	9847	0	2542	25656	Phytochemical	0.6875	0.625	0.0
10	C11 H14 O9 N4 S1	379.05542	379.05597	-0.031538796	379.05542	85332	76300	93738	82436	20756	38636	43936	109308	14554	23779	27092	80124	20718	0	28152	253228	115880	21704	52570	14597	13664	216922	93260	488460	39984	3362	44076	22108	37496	37984	50228	35180	65320	34232	29929	34028	50720	44884	147200	16956	71795	89939	0	0	0	94484	72972	0	80760	57948	87270	108152	50376	0	34235	8283	30960	224168	0	80052	212016	9076	25573	61418	23777	41072	85024	159684	0	0	11305	44508	24476	9684	53184	35208	0	44620	406660	193416	161312	16976	8912	5892	23284	17212	346048	38820	46128	946762	85608	51308	453360	135515	214635	0	89848	96300	16924	32553	38738	61804	41788	53696	0	336964	19070	0	117704	42291	Peptide	0.8181818	1.2727273	0.36363637
20	C17 H14 O10	379.06598	379.0664	-0.013206896	379.06598	60609	66372	38916	53808	183006	95343	11361	9825	140484	31302	20052	17730	310788	100941	35724	15138	6201	201117	154410	24669	33021	65199	44472	16077	14811	5334	11661	13272	0	7920	12912	4200	21426	8784	37953	4953	30738	16329	5004	17757	26442	32541	6123	0	2442	22299	48444	7917	5904	4908	59751	57351	94875	1746	190845	161415	71580	20433	15840	7434	10740	28002	279525	153906	55656	186819	36231	10608	12918	16164	15900	7236	3525	0	0	7740	3153	16957	81822	53223	68229	24636	3825	0	205581	83577	47232	50307	57690	13914	13416	13494	15930	77799	74598	2997	40347	52287	112425	196902	188838	16608	12840	10935	35433	21909	122808	2121	23463	296070	Phytochemical	0.5882353	0.8235294	0.0
12	C17 H14 O10	379.06598	379.0665	-0.06676814	379.06595	49233	65157	57696	60351	106133	44657	11790	8920	134799	67958	65656	22610	156996	32167	23281	24094	21131	121405	117655	52976	67687	139474	39907	21348	5861	3736	12101	17654	9429	10679	13642	7864	26344	9130	89566	7584	28312	24824	14354	32729	77113	35081	1416	0	293	34615	68426	476	13944	9129	57668	64303	72530	0	133958	108353	50928	26320	18521	31132	24703	41824	238620	122025	36910	135279	41426	20349	28709	13679	43991	11151	6942	3030	14392	8647	0	19314	52094	60043	42044	29328	5635	8064	131088	46351	39684	47149	48409	41117	15729	28204	27773	132888	78683	0	62038	62570	105087	150257	126093	31615	24876	17294	41163	18980	90373	0	9669	210397	Phytochemical	0.5882353	0.8235294	0.0
14	C17 H14 O10	379.06598	379.06647	-0.06411908	379.06595	67162	72016	67344	73548	139380	75639	19210	16837	163234	88883	71626	30904	265409	58786	34282	26078	24634	160597	136934	48111	83377	131820	52659	25584	11875	5895	16724	24271	8630	12369	16608	15920	34105	11356	114726	11443	30844	34242	22001	43399	82922	48731	0	438	433	39954	71423	848	21269	12419	65013	58033	87295	372	162391	134456	60467	28758	30423	28953	21567	46111	262241	161982	57363	174182	57057	27987	26484	16005	38300	15024	10327	6216	17700	12916	467	24118	68376	72246	59892	39149	11181	13006	162254	71881	69157	66660	67659	32046	19122	33811	40003	141275	97909	611	72173	59816	109016	174530	151676	31386	26386	21509	59225	32354	110225	381	18435	238810	Phytochemical	0.5882353	0.8235294	0.0
22	C17 H14 O10	379.06598	379.06647	0.031131675	379.06598	11471	7756	8919	8380	30711	15436	2294	0	38973	4763	2865	2666	55038	15113	5365	3465	2059	42743	27006	3089	6752	12023	10898	2617	1536	3815	2201	2930	0	0	1040	0	3253	1230	6105	1671	4788	8491	2116	1648	4580	3546	0	0	1059	4730	6684	0	0	2014	13114	7855	19271	927	48776	38313	13149	1971	1790	2299	1732	4935	57506	35142	9538	40352	8123	1445	2295	3661	5711	0	0	0	1676	0	1327	2938	17933	9966	13551	4566	0	3188	46715	20931	10411	4006	7250	0	0	3555	3386	17007	17864	0	10814	9411	25550	39398	35320	4033	1779	1432	6614	3251	27503	0	2185	65236	Phytochemical	0.5882353	0.8235294	0.0
28	C17 H14 O10	379.06598	379.06635	-0.10276788	379.06595	6867	5029	4691	5403	12364	8724	2336	0	12995	3785	1720	2575	27908	8473	2740	0	0	23162	15554	3793	3419	6000	5776	3084	3049	0	1879	1054	0	0	1267	1112	2651	0	5828	0	2363	2796	858	1655	2835	3530	1128	0	0	0	0	1778	0	0	5360	6463	6829	0	15398	11485	4504	1533	1147	0	2236	2280	25949	13438	4846	16758	3834	1739	0	2218	1632	0	1051	0	0	0	0	1912	6979	5059	6643	1393	1166	1140	20531	7787	6909	3135	4284	0	0	2118	0	5529	5332	0	5130	6293	6679	13605	16355	1947	1612	0	3614	1377	11095	0	1915	24449	Phytochemical	0.5882353	0.8235294	0.0
6	C17 H14 O10	379.06598	379.0666	-0.021916814	379.06598	3366	3734	3925	4029	10067	3818	780	0	14468	4342	5761	1254	18934	2065	562	939	0	8726	8881	1941	4694	4401	2668	942	0	0	600	0	0	0	945	0	0	0	4114	647	1303	1658	1299	1372	2849	3134	0	0	0	1443	3110	0	1219	0	4094	3282	6511	0	12281	10690	6251	2396	928	1001	0	0	25995	14816	3351	13621	4199	1775	0	0	2653	747	0	0	0	634	0	1259	3358	0	2355	650	0	0	16752	3755	3467	5323	2839	1932	0	0	1259	5144	3257	0	3766	3821	11830	22985	19329	1799	1479	0	0	2028	12261	0	859	22474	Phytochemical	0.5882353	0.8235294	0.0
10	C17 H14 O10	379.06598	379.06647	-0.13720985	379.06592	32457	36553	30612	30871	68560	29308	5907	6452	90199	44250	45170	12959	111550	23708	13055	12172	15185	64531	66150	27858	55155	58353	25512	10506	2614	2391	6713	9636	4814	4912	6785	7999	16281	4328	58749	4152	16743	12416	13291	17110	40551	24946	1446	0	0	14962	32360	0	7541	5479	38213	37039	38121	0	70083	81564	28758	10327	7454	14167	15858	18709	128225	86096	31259	87645	31430	16105	19798	9454	21521	6362	6037	3033	9629	5041	0	11176	35645	25154	25301	13665	3237	2783	93469	24313	25374	35212	28288	19014	3164	10950	16572	72658	47143	0	34590	28965	69226	108796	92840	12352	15279	8669	27642	16338	62437	0	5798	124005	Phytochemical	0.5882353	0.8235294	0.0
8	C17 H14 O10	379.06598	379.06653	-0.115523465	379.06592	14803	12982	11306	14866	33408	12830	3009	3467	42076	16198	19425	7081	56825	9202	5806	9252	5528	29009	33974	12024	23342	27590	10862	5493	1420	1053	3423	3994	2269	1695	2564	2817	5631	2527	27586	2940	5561	4843	7636	7928	17056	12221	0	0	0	4181	13360	0	4620	2928	15973	18545	20830	0	34129	37705	17431	5266	2744	6442	5590	7580	78269	43865	18307	40837	11517	9327	7915	3374	11441	2471	2616	1764	3998	3222	0	4451	15957	6246	12223	4889	1299	2417	44922	11142	7998	15058	14118	10151	0	7918	6372	26051	21662	0	14067	15553	39275	64510	49434	7998	5649	4430	0	6380	34546	0	3518	65516	Phytochemical	0.5882353	0.8235294	0.0
24	C17 H14 O10	379.06598	379.0664	0.13000397	379.066	4890	4946	6769	5230	17538	12107	1631	0	20896	3609	1993	1819	48762	12904	4958	0	0	25549	22400	1337	2536	6635	7168	0	0	0	1251	0	0	0	1276	0	1328	0	5523	0	1270	1653	0	1467	3285	1507	0	0	0	2075	5354	2074	0	0	5515	3477	11216	0	22235	20747	5376	0	0	934	0	1200	35611	20561	3725	20805	3818	0	1852	3399	2913	0	0	0	0	0	0	1735	6847	4738	9679	3176	0	0	25626	10817	6890	3047	5189	0	0	0	2181	6183	8345	0	5508	4662	10852	15978	21245	1331	1819	0	3253	1117	20468	0	1370	42382	Phytochemical	0.5882353	0.8235294	0.0
26	C17 H14 O10	379.06598	379.06622	-0.17368387	379.06592	4991	3646	3770	3487	13181	7648	1889	0	13212	2326	0	0	28794	6484	0	0	0	22053	14943	0	0	5510	0	0	0	0	1764	0	0	0	0	0	1797	0	4317	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5726	4572	7822	0	24432	15358	4025	0	0	0	0	0	28364	15225	2976	17737	0	0	0	1942	0	0	0	0	0	0	0	0	8487	0	6438	0	0	0	20255	7960	4305	2657	3183	0	0	0	0	4091	6657	0	4107	0	7098	12656	15750	0	0	0	0	0	9785	0	2389	31343	Phytochemical	0.5882353	0.8235294	0.0
8	C16 H14 O9 N2	379.0772	379.07785	-0.008310772	379.0772	5734	7762	3938	7378	10105	2183	877	1270	17237	4005	6950	2708	17052	1464	1550	1273	2498	7315	7055	2278	7191	12176	3633	1764	0	580	0	0	789	0	778	0	2321	0	9840	940	2111	978	1893	4852	13958	4206	0	0	0	3039	5948	0	1273	1098	4354	3891	5452	0	14665	12465	5021	1711	1513	1387	0	3387	33530	14343	5126	12998	5785	3383	0	0	4700	1144	933	0	2762	991	0	921	3003	0	1688	2580	717	1276	11633	0	2143	7228	3194	4600	0	0	5578	10464	3751	0	3178	4715	7662	12971	10727	3446	1374	0	0	2743	6280	0	0	28302	Phytochemical	0.5625	0.875	0.125
16	C16 H14 O9 N2	379.0772	379.07767	-0.0217913	379.0772	19334	13398	10646	12718	30464	8402	7166	4945	26922	21529	19920	6903	42147	9217	7672	0	9518	24299	20974	13895	38400	56063	15434	11874	5340	17696	4410	7300	0	0	6234	0	7600	0	50099	0	6604	6794	6717	18767	36374	12993	494	0	0	12637	24036	0	5948	2318	12851	23177	13118	682	31812	17204	10454	9391	5104	8457	0	16922	49062	29334	12606	21547	14274	12596	22031	23560	30898	3462	0	0	4222	3926	316	4135	19475	33176	13480	15180	4311	12457	26332	12379	13579	14971	15725	0	6278	9850	0	42665	39137	0	17489	16294	11855	35112	17539	5584	2776	6297	0	0	16961	0	6457	53531	Phytochemical	0.5625	0.875	0.125
10	C16 H14 O9 N2	379.0772	379.07773	-0.111951336	379.07718	8696	9577	9816	7930	17324	6117	2280	0	16872	10546	11543	5999	30561	2696	3028	2485	4488	17403	15525	6878	15036	22325	8396	4018	1615	0	3215	0	1300	1835	2039	1579	3908	1738	19877	2129	4602	3562	3515	8278	26803	5540	0	0	0	5068	11262	0	1957	3222	8893	8876	9503	0	24258	17398	8112	2771	2207	5476	0	8976	41837	25185	4502	20906	7703	5434	0	1553	6037	2472	2511	0	3795	1875	0	3040	6232	8555	5195	4164	0	1844	20463	5614	4895	9370	8564	11570	0	4990	8634	24815	13789	0	9232	7464	14577	19957	18396	4832	3101	3342	0	6018	10572	0	1325	40426	Phytochemical	0.5625	0.875	0.125
12	C16 H14 O9 N2	379.0772	379.07773	-0.011304811	379.0772	7768	12119	7229	9314	19423	6840	0	2864	24678	16038	14808	4931	32940	4590	4804	2423	5086	18971	21483	7460	18925	33908	7527	4904	2002	0	2431	0	1500	978	2954	3188	7214	1350	27927	0	4069	5899	4217	13927	30367	7769	0	0	0	6599	14452	0	1534	1405	8355	11567	11646	0	23437	17885	7664	5735	0	0	0	13880	53473	28388	8181	26277	8659	8905	0	3039	9762	2591	2237	0	4338	1893	0	3171	7946	0	7369	6294	2373	2615	21057	5467	10082	8685	9933	17438	0	10126	14602	27693	10343	0	7666	9281	15669	20639	19529	5141	3386	2787	0	8786	12806	0	2853	49319	Phytochemical	0.5625	0.875	0.125
14	C16 H14 O9 N2	379.0772	379.07773	-0.031014934	379.0772	22352	19262	16322	21696	33436	12736	6312	3058	38308	29544	17394	9998	60944	10278	7146	9462	13420	34210	33104	11992	26662	59390	18062	0	4670	0	3906	0	0	3402	3916	0	13772	0	38866	0	13782	8442	14634	21670	47044	9506	0	0	0	10044	22936	0	3918	7036	21500	20046	15900	0	34228	31552	13306	15902	0	0	0	18838	93668	37788	15572	37530	18840	15796	0	3178	9090	3034	2896	0	12029	0	0	7004	14396	39960	17208	13432	3650	1371	35180	13712	21188	15488	22278	37690	10416	13686	21008	64980	25704	0	21212	17630	20352	44602	34470	15880	9568	7170	0	14074	18404	0	7248	69686	Phytochemical	0.5625	0.875	0.125
22	C21 H14 O7	379.08124	379.08163	-0.124334715	379.08118	6793	8895	8867	5730	7699	2981	2637	1758	8680	20054	20379	1701	5271	0	3840	3056	2224	7111	8788	10316	10523	15437	2887	4436	2753	31831	2375	11366	0	1494	1106	0	2635	0	26576	1583	1539	2983	2960	7817	13977	4724	0	0	0	8641	11078	0	1794	2059	10748	4151	5507	0	5961	5109	5612	2254	3195	5198	2557	7242	9366	4912	8373	6173	6061	4844	28118	16631	35719	1132	1460	0	1136	1586	296	1814	7082	13565	5745	12040	3071	12068	9811	6690	7451	5423	4476	2234	7724	3948	2629	23809	23526	0	6720	7321	8439	8044	4961	2301	1926	4095	5888	2290	8174	0	1636	9172	Phytochemical	0.33333334	0.6666667	0.0
20	C21 H14 O7	379.08124	379.08163	-0.020354047	379.0812	9668	11852	5693	9463	7044	3264	2636	1744	14279	30332	30037	2848	6284	5158	2809	2886	3557	12640	13738	19389	19984	20628	4943	1892	3111	40078	2703	14837	0	0	1500	0	3735	1478	43866	0	0	4158	4173	13955	24827	4408	416	0	0	12764	21641	0	2674	0	10896	10742	6578	0	8035	9652	6153	1893	3676	6845	3619	14405	12796	10562	3793	9037	11746	1499	36573	28894	51883	2412	1658	0	2402	2683	0	1715	7864	20169	6228	15145	3926	13322	11013	6422	6861	5956	7055	5928	10240	11798	4335	31361	31197	0	5716	8493	10832	9960	8430	0	1769	5108	10413	3636	5790	0	5723	9469	Phytochemical	0.33333334	0.6666667	0.0
12	C22 H18 O4 S1	379.09985	379.10037	0.15818301	379.0999	0	2112	3933	0	6133	7412	3768	4498	8909	0	0	5583	7091	8106	3919	1564	0	4949	6571	5775	4798	6161	4750	0	1871	7916	0	0	2972	2378	2531	3097	4115	2052	0	0	2202	8066	3659	7640	0	4181	2376	0	0	0	0	0	4992	0	3883	0	7369	0	9112	3663	6728	3577	6422	0	0	18089	5783	13012	5552	6415	4367	0	0	6452	8812	2751	3021	0	26653	2528	0	2874	6110	0	4938	4534	5565	5407	5357	4915	4796	4505	4708	0	0	4653	0	6437	0	0	2936	0	8470	7304	3645	0	4258	0	0	2012	7807	0	2847	7203	Organosulfur	0.18181819	0.8181818	0.0
8	C22 H18 O4 S1	379.09985	379.10043	0.18652275	379.0999	2471	0	0	3173	2622	2052	754	0	4027	4854	0	1455	799	1787	1001	2362	0	2780	2064	0	0	3029	2315	1650	921	2258	2746	2667	0	1026	1343	1622	1009	2916	5407	1547	2457	2671	1865	4370	3035	2472	652	0	0	0	0	0	2607	1737	2658	2083	2466	0	3008	1504	3785	1873	6785	3435	0	5517	3682	4180	0	2682	4783	0	0	0	0	1909	1216	0	87381	1185	0	1476	3243	0	2423	2744	2002	1782	3025	0	0	2145	1978	3089	0	0	1311	1646	0	0	1824	0	2181	2250	4352	2175	2472	0	0	1304	3811	0	1681	1753	Organosulfur	0.18181819	0.8181818	0.0
6	C22 H18 O4 S1	379.09985	379.10043	-0.06946921	379.09982	734	1239	0	947	800	741	560	0	2004	1534	0	851	0	1053	1062	1882	0	827	1014	0	0	0	0	1299	644	0	1104	0	0	0	0	0	0	0	1006	0	1883	1844	0	0	1628	0	0	0	0	0	0	0	0	728	0	2196	704	0	1140	1131	2083	0	1976	1988	0	0	1530	0	1408	1556	1478	0	0	0	0	1112	758	0	49552	0	0	0	1098	0	1512	0	1023	0	916	1464	1581	969	958	1318	0	0	0	694	0	0	0	0	0	2327	0	0	1274	2406	0	996	1602	0	466	0	Organosulfur	0.18181819	0.8181818	0.0
22	C18 H18 O9	379.10236	379.10275	-0.1442873	379.1023	34702	34110	35314	36239	56327	39626	10541	18589	65005	53750	23351	17489	83131	37232	25164	16010	11712	72977	56675	47458	48762	55959	22807	19277	17830	25616	11779	15372	15236	12269	16101	16569	23910	20345	66531	11428	25427	18037	16417	38755	27980	19207	3382	0	2086	38819	50130	2790	18312	15476	36753	41508	42422	2110	74579	53423	30466	21462	14491	9408	18414	26750	86552	54793	25942	69608	28462	13732	30522	53606	42670	15101	13001	11872	7563	14196	2419	14510	33783	29999	35706	39780	11790	22296	66183	35950	32390	19792	25890	12676	22187	30452	14984	44494	56941	0	35868	31154	42872	56229	52744	17296	16728	24666	30236	19057	44668	0	15902	108993	Phytochemical	0.5	1.0	0.0
12	C18 H18 O9	379.10236	379.10287	-0.051258206	379.10233	418031	434876	425872	429842	781800	240955	209707	248556	1052700	1966932	606650	195372	958738	171948	212563	286599	214347	1031150	1066876	1568870	1626646	710351	271176	278214	116091	356703	190039	366403	198117	190360	218343	239137	298266	202171	2504558	196982	291596	240388	232344	1105108	664860	201963	9433	1147	1530	397542	554728	2079	257148	229404	449123	433019	306406	1929	1161604	692806	209762	284821	280046	296570	358558	883946	1393322	939402	174750	915310	236334	256666	763308	1280718	1652208	220005	218090	181143	190103	218911	1107	208422	310128	370445	605090	677816	168312	260386	821308	220324	281739	208485	247133	269228	198086	310678	289984	549912	1219120	3831	431777	428878	461956	721046	650448	295561	194158	261955	391236	226671	356429	1735	153115	1358706	Phytochemical	0.5	1.0	0.0
6	C18 H18 O9	379.10236	379.10294	-0.14622642	379.1023	29371	34883	25094	30756	29390	16132	14767	20594	80450	64031	50578	20738	84208	18111	16206	29989	19489	38410	42240	37639	121174	35499	21889	23230	7595	21186	13332	17888	16163	16039	17194	16493	23391	14396	136346	17438	18657	19111	29303	24013	89752	17675	1085	510	482	20247	36514	620	19693	19187	32599	31021	23704	680	46325	37252	18182	23641	18298	25238	27721	25454	110894	41493	20084	37188	24554	33365	49909	41344	73708	17553	16091	13833	10563	16410	527	16391	24754	14349	20737	16719	12143	11381	44930	22760	25535	21496	23071	30531	5707	18529	21310	34234	28374	701	30033	30330	33461	89014	48116	25774	17518	22816	21090	23166	37555	344	10861	106186	Phytochemical	0.5	1.0	0.0
18	C18 H18 O9	379.10236	379.10278	-0.07868101	379.10233	230172	207932	214645	212865	265826	212823	87725	135586	304155	401942	202035	94155	520744	152308	163437	118180	82865	434136	398182	314602	293460	299784	169876	131295	106928	162146	81944	135414	117823	97198	124050	109317	159012	119550	454609	104787	184996	119669	95906	240076	199618	115776	8915	1958	1824	235305	209239	3314	137541	100187	219985	218720	209230	2453	389713	229336	133183	158816	129734	81535	133521	191658	461832	296108	114492	339788	164889	84929	205831	287176	285927	123830	95444	94636	68280	123582	2097	110583	192027	163796	158082	205479	86254	145791	267768	171953	155196	135018	154186	97384	147392	197443	182784	195838	285509	4744	210283	206968	235745	243148	219415	132070	97759	141446	156164	129789	202923	2130	96852	478383	Phytochemical	0.5	1.0	0.0
26	C18 H18 O9	379.10236	379.1027	-0.15703079	379.1023	11846	11561	11818	10901	20086	12006	0	0	22444	20762	6050	4019	43945	12323	8034	0	0	25900	23278	16127	15211	17263	7164	6968	0	4624	2354	3248	0	0	5133	0	5525	4104	22281	0	7329	4769	3089	10532	7440	7787	0	0	0	10478	13622	0	3303	0	12373	10975	12716	0	28034	17320	6771	4339	2962	0	0	6535	34961	21240	5620	19957	7406	1935	7156	13931	15019	5432	2759	0	0	3503	0	3975	13907	7236	12625	7960	3756	5467	28097	8135	6272	5384	6157	2185	5424	7770	5848	9635	16098	0	8552	11023	13531	20087	20906	0	6009	0	8386	5026	12027	0	4048	43036	Phytochemical	0.5	1.0	0.0
8	C18 H18 O9	379.10236	379.10294	-0.08774258	379.10233	107590	109071	76576	99008	179588	53672	41041	62463	259344	422820	333386	57379	271754	47873	47326	64545	68816	105728	262920	312598	202976	131521	71563	83164	23344	71068	47477	68859	48677	52169	53075	62847	68270	49401	548498	47873	67749	59225	83639	221850	329678	51556	2484	584	765	92464	267926	684	67260	64893	103104	104801	71282	955	257018	192780	54979	67756	54605	82821	83881	189304	315620	238838	53581	212650	63762	88472	155409	132510	260156	57180	54385	41882	41835	55534	907	49342	100052	69722	81833	130628	40242	55098	250226	59080	78233	58546	65229	88441	34147	67374	78042	251364	127033	1238	100059	94935	126566	259250	123180	70421	52080	78327	75099	59740	97785	481	43441	296938	Phytochemical	0.5	1.0	0.0
10	C18 H18 O9	379.10236	379.10287	-0.059371352	379.10233	249080	236115	414406	204107	439532	146155	100548	156527	585638	1165246	787850	136323	644510	108183	117224	192218	136461	586292	610870	766422	958768	653128	166934	178395	58819	224259	119093	210675	116987	119528	122570	136076	178594	120616	1389278	122758	161294	130415	166689	629250	785636	125294	6742	860	1369	212545	600832	1216	145499	135958	480278	469580	342872	1232	594518	441070	116435	168458	138274	173568	194432	467550	715204	576652	113214	499210	136150	171006	404540	351383	556617	128500	115340	99059	111206	128240	751	108873	202124	176209	186824	354782	92984	138752	507762	131306	167165	134757	142956	166123	130863	158365	174689	646132	660260	2777	225905	224486	264668	474278	428928	159014	120803	172242	196248	131578	432444	710	104527	706602	Phytochemical	0.5	1.0	0.0
24	C18 H18 O9	379.10236	379.10272	-0.08673906	379.10233	14111	18735	13894	14137	26886	17851	4823	5422	35416	32522	11498	6419	55283	19351	9164	8318	4973	40086	39547	24620	27709	26432	17547	9023	5235	11577	2302	7301	5623	4609	6898	4295	11580	6948	34880	5458	12757	9346	4069	18318	9721	5903	3179	0	0	15019	19828	0	7976	4506	19602	15561	19987	0	34947	32277	14046	5990	8633	3180	9235	12321	54470	31788	8110	35589	11364	4283	13922	23182	18744	5961	5104	5024	5109	4073	0	9175	20820	16827	18765	14128	5603	9752	37683	17052	15389	9140	8014	5688	6719	7085	8316	22617	40511	2003	15165	15873	23801	27504	24625	6338	5920	8386	13476	6021	14995	0	7139	66478	Phytochemical	0.5	1.0	0.0
16	C18 H18 O9	379.10236	379.10284	-0.04511157	379.10236	367683	392367	354525	370741	456353	345518	154750	222572	570894	779221	365943	174034	794705	244390	232389	210889	148397	685202	600152	610095	635928	570727	293788	239381	167533	302666	136408	262386	186747	172771	208429	232046	303456	178085	1956612	170588	302948	215504	156584	485408	370243	194931	12190	2840	2150	377633	380022	3562	237761	190310	390763	359877	341074	2343	613717	381891	231581	255471	246682	177725	285297	374461	751852	493614	179645	515515	287830	146322	398143	576386	525174	224829	195440	155969	144480	191269	2811	193476	330152	313255	265238	359609	157705	253669	435754	251502	257606	222342	257409	214407	220579	357534	306264	410964	530928	3732	386465	351696	374723	373682	351224	241791	163213	221605	271427	243415	353545	3169	171664	803595	Phytochemical	0.5	1.0	0.0
28	C18 H18 O9	379.10236	379.10272	-0.19854952	379.1023	8767	9439	10089	10251	13063	10562	3936	3519	14272	18551	7322	4716	28755	7377	4542	4641	3420	19979	17380	14393	14573	14327	8294	7286	4482	6416	3648	6073	4592	2982	4824	2212	5334	4289	18500	4888	5529	5230	5395	9553	7047	5193	2355	0	0	11112	11344	1946	4893	5216	8514	9679	9782	0	17877	11685	8377	5858	5381	4048	5329	8382	23029	12556	4914	17066	7292	5655	10306	12962	14313	4834	4997	5385	3345	4130	0	3935	8953	6538	7870	7165	4142	4554	16793	9009	8054	4769	7026	2828	5514	7312	5880	8336	12997	1887	10113	9404	10221	13084	13716	6326	3956	5538	9065	3515	8522	1324	4099	21695	Phytochemical	0.5	1.0	0.0
6	C12 H18 O10 N4	379.10956	379.11035	0.17050152	379.10962	0	1002	653	783	0	0	0	1307	0	0	0	826	0	0	778	1129	1200	0	0	0	1048	0	555	831	0	0	0	0	1097	1899	1202	1889	0	1655	0	1216	739	915	0	0	0	486	0	0	0	0	3754	0	1297	1708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	618	1450	0	0	0	1346	1784	2292	20986	1649	0	779	534	0	750	0	783	0	0	0	0	580	0	1376	0	0	0	848	0	0	921	1220	524	0	0	1833	1132	2072	0	1317	0	0	501	0	Peptide	0.8333333	1.5	0.33333334
8	C21 H18 O3 N2 S1	379.11108	379.11166	0.1915976	379.11118	0	0	0	0	0	0	0	930	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	693	0	955	0	0	1121	0	0	0	0	0	0	0	788	0	0	0	0	0	0	0	0	2415	0	995	0	0	0	0	0	0	901	0	0	0	0	0	0	0	732	0	0	0	0	0	0	0	0	0	774	20653	783	0	752	0	0	784	0	708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	601	0	0	1095	0	0	1042	0	0	781	0	Organosulfur	0.14285715	0.85714287	0.0952381
8	C17 H18 O8 N2	379.1136	379.11414	-0.11817523	379.11356	165570	171481	127450	154456	121681	83162	61978	112172	142995	226579	165176	108335	192929	48722	89132	135369	138096	151885	178085	188850	267091	261813	113802	146994	45257	34985	71786	78831	93711	86424	107774	120468	155212	100225	330240	87640	144205	84762	157932	220904	351130	99192	1242	0	0	168092	293719	0	121289	105807	149414	154240	108063	0	170223	110189	73785	123309	103643	136753	131610	169375	237134	181138	77522	154492	105045	170261	109834	98984	185277	108792	93391	77216	83336	100104	0	87115	120787	95162	90903	126954	67678	77038	128761	63634	105770	109230	113987	205370	59582	137702	200969	184145	182172	411	146397	144619	116352	142675	125064	137409	90906	136306	125728	134643	105342	0	72799	239460	Phytochemical	0.47058824	1.0588236	0.11764706
16	C17 H18 O8 N2	379.1136	379.11404	-0.060868938	379.11356	107370	96696	95679	108420	73387	63981	128447	70723	67030	100026	54486	81440	103677	42420	71737	147915	360847	95020	94047	72308	74576	109396	74671	136919	70057	20953	144595	29769	81107	66604	89205	90157	208289	84550	112271	63708	192108	67998	442729	94545	84784	73754	1768	0	641	75991	71697	572	171261	58671	109085	105021	93415	328	67873	46194	46572	144126	52411	40671	125755	71709	84307	72280	42664	84176	89745	400487	35578	49451	63281	60619	40656	30998	134225	57701	0	64494	97043	57628	64049	52687	31354	40830	57973	49095	92705	123103	94365	267228	40788	74342	168326	67915	83234	560	104450	103945	40653	54293	59310	220449	62370	42503	45412	186651	46289	424	96229	112987	Phytochemical	0.47058824	1.0588236	0.11764706
18	C17 H18 O8 N2	379.1136	379.11404	-0.06762638	379.11356	34636	26765	25534	24726	29363	24095	23578	25696	20776	37943	16913	20592	41500	26755	22769	32703	49338	37127	35818	21324	24958	49421	27463	31474	22238	5656	27197	12475	20238	15912	21194	25666	32856	19420	38208	19418	40205	20852	48275	34641	25588	17770	1422	300	428	22180	28315	372	26908	18613	27928	32831	23996	421	29555	21170	17234	31848	17047	12454	32658	23378	37082	28448	16054	30429	21807	37877	11299	13261	21579	18462	8870	12380	22481	13679	305	15090	41010	27537	27354	18238	13679	17658	26618	20132	33043	22630	25988	48743	26223	31389	55924	22674	33825	0	23800	27641	26764	27439	26913	27428	16369	18323	15248	27763	17029	481	23420	40005	Phytochemical	0.47058824	1.0588236	0.11764706
10	C17 H18 O8 N2	379.1136	379.1141	-0.10421274	379.11356	211835	184280	183822	162432	151363	112862	93008	149026	172252	300945	190789	165147	226963	59858	114091	157755	190211	215035	216433	235754	328638	337497	157977	170405	69440	53497	103525	93596	125511	116094	141309	137129	236066	127565	373695	121066	219198	120548	216538	296910	389546	126844	3138	0	0	207786	316328	0	144729	125472	196669	211896	134723	0	203304	127720	85893	159485	149510	158134	184929	206713	243410	205316	93032	213717	148061	227234	150211	138899	216910	134730	108974	94089	121536	110006	0	132391	160970	141412	135615	165697	79179	96817	159505	91435	136433	147918	138874	216905	105512	170279	263474	241807	230090	615	189961	174609	114025	150171	135381	199800	134618	169456	230878	181038	114516	0	95992	298189	Phytochemical	0.47058824	1.0588236	0.11764706
12	C17 H18 O8 N2	379.1136	379.1141	-0.10099345	379.11356	157727	147367	170014	161915	142442	108718	112108	139599	169626	239721	159884	101226	201743	63163	99780	121652	198249	197342	210402	219046	264187	295849	144095	164707	81875	45809	96241	92801	116633	90159	111065	114833	192518	108856	340126	94775	155347	109469	223008	242262	323938	106859	2914	0	0	189132	256338	400	121086	113854	167482	160668	128940	336	199416	105474	81583	165331	149154	136399	158137	201682	256794	166200	68101	180331	115537	230519	137558	132196	189684	109389	91590	86739	106726	88936	0	98601	149633	122009	128933	149880	77914	94462	142502	79083	153783	123843	125801	238735	95479	161840	247082	195581	157562	586	169285	156125	121112	129572	120652	168805	98250	111399	146517	160673	115496	0	105463	295836	Phytochemical	0.47058824	1.0588236	0.11764706
14	C17 H18 O8 N2	379.1136	379.11407	-0.10010026	379.11356	119254	102509	108606	105162	101616	90642	63745	86203	111630	166543	90182	70014	149211	50895	79400	96554	89687	136221	130138	131407	153296	222673	83641	106988	71202	32779	64431	64511	66979	62785	78605	68850	121109	71492	237807	67524	110966	80179	93501	162868	167615	73426	0	0	266	121759	133288	510	87247	67697	102186	91569	96966	488	134458	80842	68856	114975	96013	78697	122080	142005	176363	123622	57435	116330	89160	91300	68707	89699	94668	71202	59815	43726	67626	62593	228	68741	106062	95212	85908	87421	58731	65155	97168	69097	115647	82278	91494	152815	88039	121967	192017	142740	137745	626	111919	108514	66998	96017	96650	99101	60655	95490	96931	122015	77079	0	75330	173688	Phytochemical	0.47058824	1.0588236	0.11764706
6	C17 H18 O8 N2	379.1136	379.11417	-0.1435135	379.11353	73189	81840	71191	74434	60016	34465	31032	62749	78143	109010	92937	48073	93951	20012	40224	68437	70101	80659	92474	84110	141258	121662	56863	71112	18035	16535	30203	35715	42815	46232	55086	55968	78054	45304	140688	47429	58892	41351	91014	79905	166244	46921	0	0	0	78673	160367	0	68347	51219	73273	73917	53482	0	82608	66546	34854	57670	49658	74787	71512	77145	135516	91550	38351	85862	55905	101064	48631	44365	86684	47182	47247	38837	33347	46570	0	38433	49734	39229	36602	51948	26922	28970	78342	44360	51664	60649	61142	104847	26587	63730	97376	91421	84865	0	74346	70281	51011	77400	74571	70268	42951	69021	64642	70715	58929	0	28594	136601	Phytochemical	0.47058824	1.0588236	0.11764706
4	C17 H18 O8 N2	379.1136	379.1142	-0.1931403	379.11353	16976	18708	13627	12038	16082	8222	6044	11772	20194	16841	21028	10824	22866	4872	8894	12912	16904	18469	19588	15851	24904	26417	12063	15534	3803	3552	5290	5491	8305	6806	8915	8218	13200	8147	25457	9502	13437	8780	25547	16219	29753	11415	0	0	0	13545	28657	0	11615	11771	16033	13291	11041	0	20533	19697	8800	11996	9481	14970	15646	13029	32977	20838	11665	19088	8729	17754	11878	7407	16357	8411	7944	7605	3911	8246	0	7773	12468	7868	10531	9789	5885	5339	22828	9561	12158	14302	12402	23477	6312	8898	22305	18141	13941	0	14499	15123	17799	27524	21314	14809	8447	14787	10502	14807	15111	0	6469	31124	Phytochemical	0.47058824	1.0588236	0.11764706
18	C22 H18 O6	379.1176	379.11807	-0.041482057	379.11758	16869	22696	18714	22405	19578	10480	4680	9749	16474	49239	45132	8249	15376	16809	7430	7294	6807	15550	18985	37138	42751	17885	7848	11142	4979	95486	4691	33856	3942	5964	5487	7395	5075	0	46498	4779	9006	8331	8347	30331	27909	7824	653	0	0	19705	23535	0	7292	6427	12297	14734	14209	0	14727	13472	10712	9025	8101	10098	12693	20977	18715	10928	8063	14743	9824	9070	81091	88168	124311	5306	3850	6161	7300	11293	0	5589	15120	18498	12152	25118	8785	21838	24274	15105	17483	12794	16041	16294	9907	10504	7319	25308	31698	0	20565	18890	21138	12884	13030	10322	6142	10668	12279	5690	11663	0	10430	18454	Phytochemical	0.27272728	0.8181818	0.0
14	C22 H18 O6	379.1176	379.11804	-0.22040734	379.11752	6156	3108	4717	5345	2816	1595	2836	2544	5155	9253	7654	2058	2634	2568	2981	3180	0	4463	4025	4485	7893	6206	2192	5845	2805	12724	1131	0	1746	4701	2625	7396	2644	1713	12594	3847	0	3792	3182	5593	9238	2071	0	0	0	5633	11921	0	3416	0	3666	5676	1420	0	3078	2165	2962	4172	0	0	0	0	3637	3769	1676	1953	2529	3843	20207	12965	24004	1133	2704	2513	0	2757	0	2701	6242	0	4985	5599	4292	6253	4686	0	2630	2675	2980	5198	2681	3046	4782	3649	4999	0	2879	4358	0	2730	2405	3373	2681	5687	0	3721	2282	0	4816	3139	Phytochemical	0.27272728	0.8181818	0.0
22	C22 H18 O6	379.1176	379.118	-0.10336822	379.11758	26188	26219	19592	22215	22021	10328	2773	10060	22616	61825	65120	7132	13998	19463	7366	15856	9054	20339	27407	46192	59189	38717	10188	8980	10762	142207	5005	58702	3855	5572	5842	6469	10101	3258	76166	4641	8036	7343	8502	39908	56108	13570	0	0	0	26093	33470	0	5213	8255	23502	23337	21265	280	19556	17140	14059	10315	9231	11769	10663	30564	23467	19693	13820	23491	20670	9170	128864	98798	159897	4792	5230	1625	4409	7243	0	4524	19663	39144	16495	29289	11761	34231	30155	16122	13232	12042	15454	13860	11621	19927	10278	43606	39883	0	25567	21731	26899	25092	17692	9588	4564	9657	25704	12540	21799	0	9766	16483	Phytochemical	0.27272728	0.8181818	0.0
26	C22 H18 O6	379.1176	379.11786	-0.14203201	379.11755	2695	0	3121	2274	3595	0	0	0	2879	7760	8987	0	0	2185	0	0	0	0	7149	0	7526	4324	0	0	0	15720	0	6854	0	0	0	0	0	0	12418	0	0	0	0	5579	10210	0	0	0	0	0	9242	0	0	0	3345	2871	2389	0	0	0	0	0	0	0	0	3696	3150	0	0	3728	2495	0	24016	16625	26722	0	0	0	0	0	0	0	2277	0	0	6106	0	6165	7890	0	3367	2824	2675	2615	0	1799	0	5774	7915	0	0	0	2492	4332	0	0	0	0	0	0	0	0	0	4418	Phytochemical	0.27272728	0.8181818	0.0
24	C22 H18 O6	379.1176	379.11798	-0.14350438	379.11755	13185	11130	10160	9156	9219	3808	2537	2278	11525	28254	31045	3595	9925	5979	3114	6206	4839	11496	13459	20895	26333	16413	5397	7219	3866	57201	1895	24126	0	3266	1803	2401	4927	2261	32909	2940	2081	3796	3879	18563	34336	4401	0	0	0	13982	25445	0	2868	2566	10779	8704	7787	0	6395	5746	6366	2931	3395	6641	4342	14437	12576	6719	4627	9179	8154	5285	64522	42929	71178	2280	1383	1271	3061	3047	0	1831	9040	15965	7781	15190	4291	19159	15611	6642	10302	7111	7432	2276	4669	7965	4211	22653	19926	0	8542	8800	10764	11270	12943	4364	3529	6466	10634	3031	10345	0	3677	6419	Phytochemical	0.27272728	0.8181818	0.0
16	C22 H18 O6	379.1176	379.11804	-0.121609256	379.11755	11244	7671	8153	10964	7503	4909	5255	6381	7726	17038	16087	4567	6925	6616	5021	4780	0	4311	11291	15135	22326	8334	7072	7456	3237	43095	3674	12311	3835	3708	3944	3218	7209	4264	30942	5166	4631	3826	4686	12956	11180	2834	0	0	0	9588	14254	0	6027	4896	9249	6504	4098	0	6195	4560	5246	7306	1378	5384	0	8310	6875	6046	4817	7652	4214	5974	36095	43416	47937	5841	4612	2698	2019	3663	0	3464	8482	9925	6956	9664	4839	13305	7028	6537	7422	5702	5981	0	6413	9014	0	9493	16030	0	6685	6383	8603	7147	5573	4863	3821	5773	6457	0	3284	0	6400	7076	Phytochemical	0.27272728	0.8181818	0.0
26	C19 H22 O6 S1	379.12097	379.12134	-0.019886037	379.12097	3761	3888	2918	4410	5773	3134	0	0	4655	7708	3487	0	7314	0	0	0	0	0	4963	11910	11224	6750	0	0	0	10395	0	5519	0	0	0	0	2209	2943	10133	0	0	0	2465	5663	11208	0	0	0	0	5396	0	0	0	0	5305	4231	3493	0	0	0	0	4428	2760	0	0	6764	2156	0	0	3943	3316	0	9838	16232	21050	0	0	0	0	0	0	0	2354	0	0	2673	3094	6806	0	0	2638	2786	2439	4104	5310	7743	9794	5768	8848	0	2765	0	4758	3992	6654	0	0	0	0	1941	0	0	0	4771	Organosulfur	0.31578946	1.1578947	0.0
0	C19 H22 O6 S1	379.12097	379.1217	0.23623696	379.12106	13500	14653	15300	15578	2253	0	0	1435	0	1295	0	0	1973	0	0	7643	0	0	0	0	0	1964	0	7952	0	0	0	0	0	7958	1710	6532	0	66754	0	7137	6838	0	0	0	0	0	4420	0	0	0	0	0	9387	8600	12473	11249	0	0	0	0	0	2379	0	0	16384	0	0	0	0	9715	0	0	0	0	0	82188	22693	9301	0	3631	0	0	0	0	0	0	0	0	0	0	0	42905	2132	0	4795	2298	4786	0	0	0	13231	11927	0	0	0	6727	0	1768	0	2540	0	0	0	0	Organosulfur	0.31578946	1.1578947	0.0
6	C14 H22 O10 N2	379.13474	379.13556	0.37046787	379.13486	1469	1955	1590	1868	0	1090	0	0	1202	1496	0	1317	1648	1069	0	0	0	0	0	0	1186	1543	0	1418	910	0	1906	0	0	1883	1142	0	0	0	0	0	1808	0	0	0	1259	0	0	0	0	0	0	0	0	2121	1539	3947	0	0	1032	1288	0	1875	3000	1769	0	0	0	2152	958	1612	0	2324	0	0	0	3654	0	0	41729	0	0	0	1494	0	1402	1556	1300	0	1367	0	1364	1403	0	0	0	0	3224	0	0	0	0	0	842	1353	0	4024	1929	0	0	0	0	0	1629	1939	A-Sugar	0.71428573	1.5714285	0.14285715
10	C23 H22 O3 S1	379.13623	379.13672	-0.12126965	379.1362	5277	5473	3570	2887	2319	3821	3007	4531	2943	0	4019	2976	2630	2988	3809	4014	2432	2596	3708	0	1599	2613	2448	3743	3094	0	0	4888	2820	3786	3522	5248	4697	3277	4375	3915	3433	3954	3618	5356	3268	2148	967	0	0	4011	0	0	6270	2609	4985	0	4004	0	2720	3657	3213	4005	10067	3786	0	5944	4466	4970	3240	1274	4722	3960	0	0	0	3034	3340	3196	64703	3100	0	3958	2555	0	0	4520	4156	2369	3279	3664	2917	3342	3257	4117	0	7462	3562	4195	2321	0	3686	3352	3460	3147	3173	4643	3279	0	26937	3655	5987	0	2946	3792	Organosulfur	0.13043478	0.95652175	0.0
6	C19 H22 O8	379.13873	379.1393	-0.1925234	379.13867	72236	79878	61476	85348	39894	32514	28826	93454	54662	105998	69478	58460	55374	17786	70070	44666	38608	56374	32945	55710	59911	47191	75122	105420	39010	43062	51870	23851	78268	78668	35931	77940	73010	62124	57117	82438	36178	69142	87218	69344	50284	55834	3799	2189	3088	71548	110068	2625	97780	40023	36801	77544	41542	2927	74618	51140	36592	44307	65898	93968	87864	56298	62542	57416	36104	49566	45832	45469	57313	100466	153274	68610	67680	85400	38608	86986	2655	55730	74400	17740	73614	68460	69512	25564	61060	21768	37918	39504	49162	91240	20541	30987	76848	31285	61342	3283	74596	80168	46678	52920	34264	86454	65684	102170	40075	38774	53696	2516	52724	32637	Phytochemical	0.42105263	1.1578947	0.0
8	C19 H22 O8	379.13873	379.13928	-0.16515774	379.13867	275336	311574	196400	284626	136538	101708	182672	294420	97290	365058	245974	211274	163306	44206	195820	293876	229598	172420	119333	423392	427292	153617	241568	331624	67995	345222	192200	201572	235192	253176	223202	139304	252434	203112	424036	243752	251970	205772	305544	323088	190000	66035	5059	2433	3193	297480	340032	2843	289968	279768	279772	284202	131518	2633	243174	160050	122784	267544	245632	272244	165132	114649	231536	196386	55504	158486	123090	281480	211189	420732	613724	251196	243758	261084	154812	271728	2886	187260	279896	97773	257178	227922	233800	214270	207040	58017	233632	120794	156692	295914	91211	110681	291720	200588	253706	4852	268326	280402	178274	184338	83376	239992	199490	334206	111005	221654	84984	2598	192388	97616	Phytochemical	0.42105263	1.1578947	0.0
18	C19 H22 O8	379.13873	379.1392	-0.06252909	379.13873	1289885	1272606	1206208	1175050	1059764	923977	617038	1160757	1149614	2481574	1143631	644674	1749333	649532	939399	970981	547322	1578362	1538576	2429119	2058577	1355491	985059	1183875	705171	1805172	535933	968254	979401	877383	1066232	952078	1216947	1002337	2760390	940010	1275674	801891	653486	1708100	1088702	708799	33769	8058	7704	1215903	853588	8476	1095223	899135	1275187	1223954	886030	9280	1661942	916125	630415	1138508	915669	616447	984720	1166191	1547315	1165676	506952	1218142	788768	630563	1582755	2852308	2310391	1114933	914602	937956	586995	998666	6555	799482	1022873	599007	909808	883377	723366	967383	1011806	715764	857015	677830	813992	650619	999938	1183608	1181740	748484	1192423	13897	1240623	1155263	934291	846634	812568	963200	671599	1105853	601257	850959	734730	8818	742879	1594918	Phytochemical	0.42105263	1.1578947	0.0
10	C19 H22 O8	379.13873	379.13925	-0.11000815	379.1387	836436	797786	694642	719486	458986	357156	531236	920804	589908	1184732	732072	580482	553494	312132	592826	879574	605540	598162	697548	1271058	1293934	801060	662674	944784	420806	1297516	561666	286410	691772	740860	701998	726374	789190	627756	1312864	714196	750928	580774	764102	970232	996256	385062	14659	4137	5669	765160	837056	4489	778884	774666	754498	799130	405614	4132	696556	465128	327432	850192	714914	742302	451284	630134	572518	556654	285076	536520	404060	746996	677567	1577392	1724278	682062	665352	743214	583058	737272	4341	545586	840588	216012	774694	631242	653522	584788	618242	372718	687180	353674	439098	690652	530420	582222	780710	553118	732528	8959	782154	833746	515054	502312	477646	678898	550466	859854	300042	612206	498176	3938	539054	649048	Phytochemical	0.42105263	1.1578947	0.0
22	C19 H22 O8	379.13873	379.13913	-0.12455717	379.1387	168918	183111	149676	178223	189116	144106	85355	152626	197348	275973	114395	105630	247897	97739	142708	140585	79072	263633	201275	259915	247624	171919	147846	155607	121435	214816	72372	94648	119727	109528	119093	140528	154726	127092	283512	125064	155635	117599	97571	180505	140983	87594	15028	4389	6587	162081	149615	6524	138987	117515	174427	161158	135057	5907	219285	173325	104446	148712	111882	69131	139063	134085	251702	195473	82209	210592	119135	84765	195406	367096	287469	147377	112874	113463	72472	124622	6032	110689	167350	77884	153918	122803	97935	116729	205813	128020	147597	103800	116830	99106	139434	133919	175816	103970	146408	10565	166279	164652	139035	184822	163584	142275	106051	138445	122387	136054	131541	6543	108914	306837	Phytochemical	0.42105263	1.1578947	0.0
20	C19 H22 O8	379.13873	379.13913	-0.110810235	379.1387	499961	533639	494617	453533	492091	448024	239769	432840	581122	946648	392568	277436	826293	305231	415015	385885	214230	702890	655448	901291	833411	566414	425298	459926	340463	654906	231185	343760	420910	359267	388455	378968	454620	386960	1083401	333817	555849	337375	252840	671068	388429	284746	21132	9221	7358	504031	390679	10791	438567	370446	519063	517106	384807	6708	691828	438480	284859	438774	408756	200583	421488	404700	721767	531733	220977	559275	329980	256669	615582	1112869	866911	439702	403225	374015	244353	382290	6210	350890	459086	257508	396966	321722	294965	410082	482453	276055	385787	266117	339323	260687	400538	480494	517296	322223	379468	12480	493351	494815	405101	429188	444161	396363	299010	435064	309318	370107	337527	10658	297619	877288	Phytochemical	0.42105263	1.1578947	0.0
12	C19 H22 O8	379.13873	379.13925	-0.06621669	379.13873	1915720	2095048	1964948	1999020	1157902	848820	1347826	1920762	1539330	3115786	2074206	1161680	1208292	597392	1223712	1003474	1353866	1483408	1854164	3421420	3316252	2147440	1462070	1980890	998202	3066196	1283996	846648	1578402	1582222	1651528	1784814	1808606	1463846	3643060	1507176	1605872	1387928	1598582	2331776	2550952	934504	19441	5445	5296	1772382	2039982	5619	1816686	1799820	2059614	2067588	1065708	6454	1814972	1045684	819844	1908714	788501	837100	1080452	1605510	1790100	1398438	675208	1331826	973758	804526	1659291	4027966	4207162	1583844	1639260	1659218	1533530	1690184	3514	1296378	1680642	607072	1758606	1481400	1417788	1548242	1349548	859380	1512840	859826	1007168	1689132	1314074	1582808	1795560	1212326	1770010	10960	2053892	1938884	1337714	1139704	1100254	1659214	1195988	1896862	659022	1465734	1158986	5032	1238122	1792666	Phytochemical	0.42105263	1.1578947	0.0
26	C19 H22 O8	379.13873	379.13916	-0.151369	379.13867	35904	28046	28378	28764	30809	28146	11295	29740	39891	45145	20218	20442	58107	16891	24098	25907	19047	51947	50913	43738	57823	34114	31484	33136	12907	29288	9218	17268	23287	22420	21528	21600	26974	20741	53365	21192	27805	16605	18718	31788	25490	17946	0	0	0	25173	21587	0	20034	24142	31327	31534	28901	0	43026	38965	18264	28765	18676	10069	27734	19647	53318	37058	12977	48033	16500	20261	31447	51829	47930	28927	26028	22267	13463	24048	0	23327	27732	11759	29631	21259	13490	16804	40409	22717	28389	19917	22366	18772	24451	19982	29596	16446	31036	0	32805	27100	23906	58682	41059	27109	18751	23811	16251	17017	17755	0	18553	58052	Phytochemical	0.42105263	1.1578947	0.0
28	C19 H22 O8	379.13873	379.1391	-0.20425044	379.13867	24873	18209	20441	18952	23134	17083	11618	23839	19047	35372	15959	11146	44272	16088	18223	21003	16735	33803	28928	39704	33421	20796	20391	22934	16204	25078	11162	16128	19689	19040	15525	15686	20186	15235	39368	20139	20518	10857	14480	18405	19149	15082	3921	2695	6926	19823	15714	3190	15976	18268	20907	15812	17133	5107	27590	22573	12557	20854	12450	8880	23590	14356	29522	19872	9764	24207	15342	12403	29213	43508	31574	19120	14075	18217	16280	17750	4044	13238	18125	11158	16183	14344	12370	15242	21387	12795	21519	11795	15173	10164	19643	16494	18289	11435	15972	2357	16966	20598	14494	22939	32398	18850	13829	17279	14671	13139	12623	3148	10917	32191	Phytochemical	0.42105263	1.1578947	0.0
6	C18 H22 O7 N2	379.14996	379.15054	-0.15767927	379.14993	188375	209074	168534	181950	102324	84084	109391	187922	141514	316989	151701	115421	166679	46105	133481	192266	187180	154074	184720	276834	350539	325765	139224	200744	82086	68427	109202	107330	146363	152896	161142	178960	213664	154509	407252	162630	201722	126281	274055	213973	304090	91623	1234	0	0	217889	268263	0	207600	155657	191215	197105	110188	280	172349	104754	74187	177559	139875	198902	184778	170779	165204	118665	61299	142817	115172	286610	123269	161373	215175	159899	153450	142873	96112	136772	0	102678	128906	110623	119794	141722	127284	117118	113106	81084	143224	114307	111493	251639	142599	209828	259484	184483	261645	579	185782	169713	74523	104904	117571	187921	107998	251190	161930	179691	95209	0	113790	189572	Phytochemical	0.3888889	1.2222222	0.11111111
4	C18 H22 O7 N2	379.14996	379.1506	-0.16811904	379.1499	56296	64561	55253	54915	38217	30015	24893	54669	51935	87496	55985	34099	76282	24139	41498	53713	58670	59648	63183	75804	96612	101498	46454	56414	27324	29375	32631	34513	43028	40290	41479	41096	57890	33174	124981	45190	57094	38792	83330	79798	108514	37444	0	0	0	69005	112892	0	51375	44743	57209	47210	34211	288	66583	43302	25822	56267	47574	63691	51985	57534	72239	54053	23282	51064	34177	73792	47009	42363	61339	37134	34930	40626	27353	37984	0	32748	47658	47375	43461	43770	38612	35554	47201	34298	45152	39693	37131	72834	54315	67782	88972	63207	87959	607	56081	59823	37804	54816	48752	56877	34960	83482	58472	50283	38275	0	29450	76988	Phytochemical	0.3888889	1.2222222	0.11111111
18	C18 H22 O7 N2	379.14996	379.15036	-0.22100584	379.1499	51256	49692	53067	47727	40841	38316	44373	47083	31639	57470	28933	26859	45789	20679	45147	61891	40927	62352	57465	46832	40826	67136	43156	73270	49204	10302	36147	32452	51588	40875	51727	58160	70557	53223	48071	42265	76753	39262	42790	56097	40302	33155	1292	0	411	38399	30499	406	59098	38573	51013	45883	51799	670	48708	23623	28610	58352	39867	27265	62770	34389	45710	32263	17536	38528	36379	34184	14273	38212	31862	53410	36891	29356	28351	40884	0	33747	44665	32172	36960	25053	44552	30689	30102	35315	48768	44549	40360	44905	69645	80312	92717	29914	48863	0	50274	51737	32213	23440	22977	68133	33035	39149	20917	59636	25714	524	52092	62347	Phytochemical	0.3888889	1.2222222	0.11111111
20	C18 H22 O7 N2	379.14996	379.1504	-0.08996984	379.14993	73720	79142	59074	63980	74033	52142	39417	70553	60163	98103	84757	55728	58479	48983	51146	68094	50590	73277	76824	100521	95919	89184	47035	74841	57674	230124	39919	81664	52591	46957	56851	60409	81188	53164	112674	45630	88044	49412	53260	95889	112031	46850	2001	0	0	60456	58929	527	57750	57309	66747	74351	62421	880	59389	44144	46347	74577	48761	43475	68537	66045	70999	49006	34002	67129	50388	56543	174270	201669	263446	51745	44066	42907	47141	53464	704	47491	66754	71218	64000	42789	45180	88090	51148	40582	75754	58753	53009	78046	81856	72925	119453	73495	83527	682	69867	68387	61536	48042	55307	74585	50630	68289	40021	74431	50686	0	55539	81642	Phytochemical	0.3888889	1.2222222	0.11111111
24	C23 H22 O5	379.154	379.15436	-0.14734966	379.15393	34341	33795	34768	33870	32713	22357	8293	18817	29645	59014	88395	11720	33433	19465	16562	17279	21464	33664	44907	58482	61849	32626	18849	25771	18611	189345	8949	77124	14601	14830	11734	16352	20703	14361	67376	17220	19558	11343	14805	61449	76689	20276	2062	0	0	39944	44997	0	17494	17597	30308	28720	29573	0	26300	26263	22483	18791	19360	17415	18076	41880	26390	24320	13449	40095	35299	17600	182439	127226	198929	18651	16583	9091	8882	16548	0	13163	29686	39131	22021	31961	20378	49509	37429	16874	34983	19883	25403	24347	18917	25894	35917	46642	47062	0	35808	26734	26732	27930	31973	20434	12634	26442	29631	18933	24991	0	18697	34022	Phytochemical	0.2173913	0.95652175	0.0
18	C23 H22 O5	379.154	379.1544	-0.18014824	379.15393	28069	34730	26929	31410	22302	14103	16502	24758	26207	31590	42845	19375	21765	14313	21768	31090	20342	19829	27207	37452	37033	35604	21252	34748	16119	94760	15811	34169	21572	21622	20770	18923	28380	30718	34088	20680	29852	16875	25328	36903	46963	14455	639	0	0	25636	29367	0	26763	21391	29781	32182	18579	0	20066	15966	17935	35052	16028	24188	31022	24637	21833	18070	11758	22893	20902	27638	68291	73006	136983	19880	19515	17430	23990	24111	0	16196	38899	22246	28340	25522	22463	29214	30199	18351	31566	15645	19853	31747	24290	22617	39510	15694	24019	0	25727	23618	19721	22238	20125	26876	17731	23691	18472	20432	17995	333	26597	20509	Phytochemical	0.2173913	0.95652175	0.0
22	C23 H22 O5	379.154	379.1544	-0.11867558	379.15396	52625	53061	45349	51109	51968	32421	23275	28210	46750	92711	107175	22426	42932	30762	33557	35774	35301	42804	50159	100256	103379	56193	29237	48715	36160	279253	18669	100821	32998	28791	25672	24312	33107	30192	104166	29838	39030	27467	32325	80418	107370	31683	0	0	0	57419	65820	0	32824	29620	54152	47831	36295	0	35977	35970	28686	38302	31825	30587	38081	53420	43225	35032	24687	51892	41595	31753	242742	223272	317271	33512	26572	23008	20226	30451	0	19210	45625	47592	39544	47681	33191	72756	55218	31306	40614	33276	39496	52046	34059	37797	44635	58421	62048	0	50080	54855	47391	47465	40970	39089	21681	40475	37700	41305	36896	0	36112	39819	Phytochemical	0.2173913	0.95652175	0.0
26	C23 H22 O5	379.154	379.15433	-0.13718942	379.15396	9465	9451	8211	10046	9361	3966	2743	0	9160	14689	21194	5290	10799	4588	0	6594	0	10253	14468	18683	15625	7826	0	7161	7881	48786	4110	22618	0	0	4192	6370	4654	4094	19304	5490	4065	2818	5199	13120	23079	5925	0	0	0	8915	15765	0	4242	0	10340	9740	11407	0	0	7232	5372	6046	7921	5541	6069	11940	12591	6062	3468	14094	6960	3177	55753	31656	58123	3299	7196	0	0	5369	0	3152	8325	9120	5475	12305	6672	15248	11699	0	9128	4081	4339	5327	5036	5455	10640	10589	9353	0	8980	7369	12021	8715	9948	8076	3485	7056	8409	5649	9378	0	5399	9749	Phytochemical	0.2173913	0.95652175	0.0
26	C20 H26 O5 S1	379.15738	379.15775	-0.025359444	379.15735	10890	7669	11455	10693	8388	6728	3168	0	6892	24172	14431	0	8676	4102	0	6540	0	5357	8731	24459	26886	19931	0	0	0	28537	0	18262	0	0	3342	4998	5721	4776	25295	0	6192	3471	5339	20339	22562	0	0	0	0	6379	15276	0	4126	0	11131	12681	7155	0	0	0	4341	6982	8959	6573	5276	17018	3766	3931	0	11050	7197	6159	22419	30923	27057	3311	2735	0	0	0	0	0	6380	12200	0	7480	8581	14466	5069	0	6471	4649	4243	12865	29270	32368	13325	17916	20344	0	7027	9512	10864	10475	11898	5727	2891	11945	9129	6691	6099	0	4102	6574	Organosulfur	0.25	1.3	0.0
0	C14 H26 O6 N4 S1	379.16458	379.1649	-0.5518041	379.16437	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9211	0	0	0	0	1329	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20184	0	0	0	0	0	0	0	0	0	0	4287	1621	0	1296	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.8571428	0.2857143
18	C17 H27 O4 N2 S1 Na1	379.1662	379.16656	-0.16632292	379.16614	10838	9758	10079	12173	9329	8226	5482	9213	12485	24703	16031	8593	6140	5063	7256	14930	7772	13534	15058	22803	23057	16641	13072	12681	8062	30007	5932	11476	9788	8317	13942	9617	12741	9697	20943	8957	16361	11389	8203	21184	12739	7032	0	0	0	11229	11656	0	9590	11346	12924	8487	7373	0	8606	8118	4714	9727	10101	5741	10306	8497	11246	12182	4169	6477	6057	9353	18172	27794	28647	8643	10311	13564	10496	12639	0	11827	8533	5664	12934	8052	7980	13533	11426	6428	10322	10019	7758	14167	12314	10256	14760	7830	10613	0	12792	12116	7202	7794	7708	6128	6479	10203	8775	7398	7617	0	8126	14975	Organosulfur	0.23529412	1.5882353	0.11764706
16	C20 H26 O7	379.17514	379.17557	-0.1340983	379.17508	1779205	3793820	3655906	1814237	1356994	1122548	1384694	3932304	1492398	4616100	1509078	1273172	1628679	892814	1632183	2124739	1728705	1776696	2132789	6016412	5847098	3568164	1700972	4425364	2721532	2961061	1331978	1333363	3493326	3434892	1749857	1896062	2064948	2954238	4917556	3737840	1991440	1445703	1923358	3877906	3758668	1168661	37556	10225	9622	3012742	1426276	9825	2115347	3729008	3667888	3703518	1361921	11734	1791673	1377378	1065087	2113167	2834688	1391909	2040447	2382388	1716746	1484620	813076	1585339	1243610	1705374	2432533	7679010	6979932	1771833	3348494	3701138	1733173	3894058	7380	1321588	1979858	1073715	1596891	2459728	3220358	2893218	1601141	988530	1895327	2307596	1359291	2095407	1633097	3500694	2458079	2129238	3005684	20619	1928196	1827384	1189054	1481593	1567689	2000362	1167620	3636830	808620	1862789	1217201	10408	3150588	1786841	Phytochemical	0.35	1.3	0.0
24	C20 H26 O7	379.17514	379.17548	-0.14618221	379.17508	208168	211149	185315	211247	186954	161754	106121	196049	209503	279773	121686	128292	368482	135564	223434	197757	115776	285651	298456	297487	263213	188131	206206	228208	133349	208545	91224	123008	185516	159293	168962	184904	246824	168881	301476	186459	281271	185570	124686	191133	144796	108089	11355	7096	10594	163730	118742	7444	209283	156893	205944	206476	158704	8919	288188	227058	122619	226342	148792	83280	218082	137364	279124	214674	77648	256170	139660	124329	195177	367115	281866	197938	182382	176601	116383	169656	7557	157885	220507	83292	201303	97541	109804	116930	211062	118637	193290	112496	144211	149474	205399	209100	249792	106437	163263	11064	190153	205395	126101	277436	279528	222601	149015	173876	99322	182755	125039	6428	142673	315278	Phytochemical	0.35	1.3	0.0
22	C20 H26 O7	379.17514	379.1755	-0.1358294	379.17508	804665	812091	729640	804190	656790	626206	415360	827430	750714	1309772	544243	459003	933651	447398	727373	690229	401035	1085586	852845	1379221	1173227	832187	740408	873071	645663	832959	360148	534161	822406	682347	712287	778221	921837	705078	1455488	763421	1080575	604868	416338	850365	516570	469857	29805	11550	9667	647466	447058	12274	753633	632973	763579	805439	578688	10094	1033095	722833	436830	798305	681786	314379	762117	574168	927614	763325	309004	853232	540406	416303	715197	1701481	1093982	772153	644319	746358	366551	694241	8770	620873	744648	313996	642843	389943	492406	466680	631835	434433	726688	427455	543039	491322	836148	838521	907440	418703	692537	17344	708858	770690	491467	945756	862954	844455	535116	821761	400943	712151	472912	13423	516697	1112315	Phytochemical	0.35	1.3	0.0
28	C20 H26 O7	379.17514	379.1755	-0.18647312	379.17505	38086	30865	31358	33940	40466	28278	22469	38004	29572	44874	20687	20295	70971	27209	27256	39637	25633	43748	52001	56057	52182	30101	37034	41806	24287	43538	20024	23856	35779	34657	29054	32975	38800	31742	44334	36649	38737	19475	26384	30223	24707	26066	5590	3960	5680	24938	21904	4847	33892	33059	31638	30012	33320	5375	35728	42535	17785	41632	20685	15511	42016	17728	38644	27636	14777	53873	27038	29432	35437	60277	50406	30219	27355	32993	26490	28581	7131	20059	34638	16383	26360	14038	23703	19366	34996	20663	39674	22755	28068	27737	37084	35257	41048	15793	29857	4376	33205	30062	24000	51869	55188	39672	24803	34231	16284	31957	23133	4456	22212	46687	Phytochemical	0.35	1.3	0.0
26	C20 H26 O7	379.17514	379.1755	-0.13962784	379.17508	68370	73130	63128	56708	63545	49831	32836	72254	68423	88677	41543	40763	138955	60610	61776	78868	36964	97514	98327	95276	98851	64830	62559	81027	43094	67384	31642	39030	69920	59054	56324	62903	73359	66190	94965	64587	87225	43485	56469	66173	59422	56177	6027	0	0	43323	41962	6060	70993	67069	64991	68961	53558	0	87045	84495	43058	76614	46452	29434	88756	36536	97306	70530	23783	95771	57275	55435	74399	112766	110926	69480	61200	62274	51982	64506	0	47196	72060	30720	67472	37968	40123	38117	76733	39399	65975	43533	48588	51547	67007	59561	101922	27684	47986	6235	69828	78955	46051	106355	110245	82710	46792	62004	30809	60416	42998	6504	37812	93720	Phytochemical	0.35	1.3	0.0
26	C24 H26 O4	379.1904	379.1908	-0.1570907	379.19034	31260	35008	30343	28931	30110	19521	13664	34674	23068	31499	61330	16967	31969	18334	20011	30753	21967	30124	41096	51683	49895	31731	19584	43394	20774	146701	15355	60009	33022	28865	25336	26648	33182	24544	48014	27987	34997	17801	21530	46593	51354	20944	0	0	0	33546	36258	0	26927	24928	34165	31319	26967	0	20026	21189	21094	31901	23081	17321	30947	32896	24840	21884	17684	37131	41810	33184	136396	82244	121068	29451	25160	27590	13585	27170	0	20434	30465	34232	21550	28569	26216	49873	26898	19397	33890	27017	27448	23550	20062	21219	38772	36493	25904	0	26727	32153	21062	30165	32048	36329	17999	33703	26001	29212	33132	0	20153	23130	Phytochemical	0.16666667	1.0833334	0.0
24	C24 H26 O4	379.1904	379.19073	-0.15476789	379.19034	68171	80975	72509	75292	69901	46068	34037	69779	54007	75217	135628	43863	58176	47524	44791	79716	61246	47818	80112	116174	101293	62689	54253	82598	52092	350209	33994	162938	64468	64650	55864	58813	81349	64279	99766	68707	74843	41068	60654	99610	124958	53928	0	0	0	67428	85177	0	65579	65761	76528	70676	62073	0	44944	46687	43564	70581	48528	44288	79625	70787	50271	45466	40620	75735	79655	61587	285677	204409	309491	61851	57347	55346	46529	61904	0	46046	66702	88879	54226	54817	54360	89910	67440	45562	69934	61457	61913	74953	55741	56898	95138	72584	74225	0	77354	76108	51013	50345	71741	77070	42163	91390	54871	71097	57419	0	57031	47607	Phytochemical	0.16666667	1.0833334	0.0
2	C18 H26 O5 N4	379.1976	379.1982	-0.24643879	379.1975	4230	3544	3300	4273	1220	0	2545	4978	1607	1447	1981	4288	620	643	4329	1623	5751	1892	1982	2277	2638	3896	3932	4271	3593	0	0	15960	4496	3074	5235	3298	6194	3542	3558	4138	4480	3740	6937	2437	3719	0	0	0	0	1653	1980	0	4858	3339	4599	4254	1336	0	1776	526	1314	5128	1721	1504	2154	1623	1104	1517	0	1846	1601	8186	0	974	760	4344	4298	4453	1288	3838	0	3552	4098	30367	3004	1378	2291	1864	610	2041	4440	2820	2049	11394	8748	7657	10024	3003	941	0	5121	3296	729	481	490	3956	3598	4219	1336	4960	951	0	4406	1815	Peptide	0.2777778	1.4444444	0.22222222
8	C18 H26 O5 N4	379.1976	379.198	-0.40233195	379.19745	5459	4477	3165	2447	0	1899	1791	2963	1696	0	2707	1791	0	0	3492	5019	2932	0	1304	3430	2529	2770	2170	4736	2757	0	1754	8631	4410	3023	2917	3950	3000	3982	2862	3486	4273	1736	3419	0	3221	1982	0	0	0	0	2129	0	3764	3379	2510	2754	0	0	0	0	787	4036	0	2021	0	2278	1375	950	0	1033	668	2641	0	0	0	2978	2652	2227	3141	2680	0	2801	3323	77544	1794	1490	1392	2052	0	0	2938	2102	848	7300	68436	19604	9703	4983	2152	0	4006	3861	0	0	0	2741	2492	2664	0	3966	0	0	1931	845	Peptide	0.2777778	1.4444444	0.22222222
4	C18 H26 O5 N4	379.1976	379.19812	-0.32034567	379.19748	2859	3799	2310	3609	793	1701	2442	3438	1654	0	0	1723	1376	0	2754	4754	2776	1934	1933	1115	3123	3686	3568	3292	3210	0	2378	6166	2790	2211	2361	2888	2681	2738	2477	2254	3537	2150	6146	1391	1725	1227	0	0	0	2047	2225	0	3212	3429	3599	3143	1315	0	1049	545	1023	3120	980	1010	2836	1107	843	332	0	1752	1465	3651	0	0	0	2591	1959	2455	0	1889	0	2108	2380	27490	2099	829	1568	1020	812	1132	3028	1817	2223	5663	27587	10789	7900	3443	1425	0	2481	2800	1390	430	652	3084	2050	2224	0	2867	529	0	2670	1466	Peptide	0.2777778	1.4444444	0.22222222
6	C18 H26 O5 N4	379.1976	379.1981	-0.30280116	379.19748	5162	5270	6663	5068	1205	3504	2817	3691	1515	3054	2552	2512	1210	728	3385	7479	4585	1594	2520	2784	3095	4260	2233	7018	4454	0	3346	31182	5225	4105	5135	4831	4657	2386	2502	4121	4187	5081	4531	3282	2004	1919	0	0	0	4413	2037	0	4450	3194	5863	4564	2478	0	1774	673	1056	5136	2178	1303	2985	3776	987	934	1358	1319	1747	5535	0	2348	0	3074	3829	3458	1544	3813	0	3006	2632	89649	2488	1064	2155	1809	1164	1366	4372	1985	1581	9476	76786	35660	9758	7982	4458	0	5348	5909	935	0	0	5954	3252	3277	0	4806	607	0	3070	1510	Peptide	0.2777778	1.4444444	0.22222222
20	C18 H31 O3 N2 S1 Na1	379.20258	379.2029	-0.2823134	379.20248	7131	12843	13312	13736	7113	11683	5527	12242	8207	17203	9526	6401	8182	7576	6690	9142	7377	12304	15268	23422	26040	10914	7190	13211	7379	22766	5965	10087	14437	12460	10960	10593	12937	8264	9871	8055	14623	6754	8644	14565	8576	6478	0	0	0	6158	7360	0	10160	8671	11184	12012	7611	0	10376	8465	6056	11392	6088	7494	6365	7277	8142	6669	5302	5688	5428	7197	15744	27943	30106	8224	9157	11514	7429	10708	0	8871	10857	4122	7633	4992	7152	7527	6608	5742	9191	6230	7811	10327	11642	12474	16414	7188	5493	0	11279	10517	5517	9175	10326	14502	5366	10777	2417	10064	6957	0	4900	11120	Organosulfur	0.16666667	1.7222222	0.11111111
22	C18 H31 O3 N2 S1 Na1	379.20258	379.20294	-0.22633813	379.20248	10304	6523	7249	6175	3995	8496	3931	8057	8259	18659	7035	4956	6202	0	8991	7197	5026	9692	10842	17789	15318	7129	6358	9905	7283	10547	3209	8540	9929	7595	9115	10194	11923	9415	13135	8573	10896	4964	4527	12237	6792	6793	0	0	0	8112	5703	0	7969	6831	8986	7495	6225	0	10574	5008	4781	5519	9799	3271	9280	4457	8072	6818	2794	8986	6777	6170	15115	25741	16760	10618	5135	10293	5229	9018	0	4692	7306	3522	5957	4873	5121	5919	8567	5114	7197	3879	6155	7881	9969	11131	10527	5784	8189	0	6646	11319	7546	8959	5528	11174	5018	7855	4798	5798	6718	0	4444	8916	Organosulfur	0.16666667	1.7222222	0.11111111
22	C16 H30 O8 N2	379.2075	379.20844	0.47980186	379.20767	1033193	1114006	958359	1091418	979914	988428	885276	1088676	992268	1500658	782559	559421	1010528	701664	947007	976798	721297	1383053	1411311	1860147	1684006	1106521	796283	1000783	924748	1187446	737733	848382	1292211	991908	975011	1167421	1489100	1023667	1577312	1218451	1574370	764847	792028	1061120	666867	718648	32854	6782	3369	819432	541602	6633	1078628	842186	1076700	1033133	870519	9044	1355930	948178	619679	1202994	885447	436261	1102275	709599	1112274	972629	498991	1117487	894579	805452	956972	1983591	1358427	916849	877942	1033854	708788	1027602	2886	769917	847298	504085	657587	540176	915270	774893	864804	729928	913658	707098	902804	734184	1335043	1401758	1239475	593077	1022606	9564	951247	1074624	694324	1031226	944718	1498378	643507	1078411	571244	989644	737454	5466	709942	1262326	Lipid	0.5	1.875	0.125
10	C21 H30 O6	379.21152	379.2119	-0.35702434	379.21136	5787	6580	4397	6891	3001	3833	11504	8246	4021	2434	3448	7591	2371	2414	6987	9693	11339	1548	4071	5536	4822	7782	3970	6351	6485	4485	11477	2841	9281	6923	5840	15959	5870	9166	3683	18590	8428	7107	10508	3757	4569	4067	904	837	789	4683	6363	1147	6820	7578	5158	6464	3378	730	4303	3949	3339	8367	6827	4714	8742	2196	4610	2507	3654	2261	2945	12381	0	3793	4354	5868	20954	9621	12882	11785	670	6674	9812	0	9882	4592	5060	3437	8051	3729	6911	0	2763	11550	4689	7069	7790	1959	4801	999	7277	5608	2772	4087	6027	9528	7071	6592	0	6210	3776	894	6608	1656	Lipid	0.2857143	1.4285715	0.0
26	C21 H30 O6	379.21152	379.2119	-0.11114023	379.2115	125678	119735	121814	113100	118599	81802	73395	129063	120461	126489	75389	71980	236238	97878	116409	141646	79151	180743	210978	179838	142493	178770	107616	173968	133105	107289	74103	94266	158221	129580	129712	121390	165611	104460	158499	147407	202867	92402	89071	116331	75216	83128	5599	0	0	129837	61230	0	133959	98549	108108	121269	99785	0	179120	144161	75786	162109	104176	48803	151328	72879	163397	122575	55192	164648	113270	88684	95510	195880	142801	106536	119107	124257	75088	124919	0	95617	121747	77274	117089	82137	102594	81072	109932	85271	137207	70248	95942	124865	180157	188072	280796	96192	158243	0	131391	128557	72921	123068	130041	163738	79500	158973	109868	108903	83867	0	114449	148171	Lipid	0.2857143	1.4285715	0.0
14	C20 H30 O5 N2	379.22275	379.22314	-0.27193242	379.22266	4295	7601	2029	7338	1249	2580	4464	8615	0	3038	3347	3558	0	1729	7238	8164	8288	2120	2541	4359	5076	8646	6597	21849	9168	1534	3721	0	5184	4264	5272	6343	9367	8497	2500	7583	7489	3669	9884	7271	4035	4709	0	0	0	6388	3965	0	10723	5724	5181	5691	1318	0	0	0	1803	12446	0	0	0	2313	2167	0	1166	0	3958	7576	0	0	3373	6551	4633	3587	7146	6983	0	2706	7482	0	4108	1784	2031	4450	0	0	22547	0	1613	14048	14149	5713	16786	3903	5460	0	6412	5545	996	1283	1534	5249	2843	3975	0	6501	941	0	8286	0	Lipid	0.25	1.5	0.1
16	C20 H30 O5 N2	379.22275	379.2231	-0.28441772	379.22263	6784	4398	2941	5607	1954	3206	3214	8736	1520	6466	0	2848	2698	2598	5191	11368	8933	2929	1982	8752	4456	8434	4858	9870	4082	0	3951	2537	6973	5918	6911	7311	8877	6793	5354	8122	5730	5909	11292	5794	6730	2998	0	0	0	4498	5162	0	11052	6216	6270	4194	3810	0	2316	0	1350	11721	1786	5241	7332	2765	0	2354	1741	3636	2436	11493	0	3469	3496	5985	6039	7027	6928	7158	0	6971	6865	5204	3031	2660	5069	2809	0	2915	39372	3401	4324	0	22853	10184	0	3954	5805	0	4829	5352	0	1254	1612	7624	2568	7942	0	0	1638	0	7414	0	Lipid	0.25	1.5	0.1
22	C20 H30 O5 N2	379.22275	379.22296	-0.27508512	379.22266	6116	8084	7200	4756	3320	2504	0	7040	2264	3348	0	5044	0	0	2824	11196	9266	0	0	0	0	5736	5262	8876	5748	0	2996	2548	4792	4760	4678	0	12420	9064	0	4516	5364	2826	6882	0	5283	3346	0	0	0	3088	3982	0	6122	5116	8896	6302	2608	0	0	0	0	13530	2508	4352	8540	0	0	2836	0	0	0	8464	0	0	0	5696	6500	4560	7362	6724	0	4176	0	126638	3282	0	0	0	0	0	30380	2180	2720	19452	22910	19770	12210	9702	3930	0	0	3466	2170	2488	0	8936	2002	5988	0	7210	0	0	7098	3784	Lipid	0.25	1.5	0.1
6	C20 H30 O5 N2	379.22275	379.22327	-0.2576726	379.22266	10679	12284	10500	9901	2792	4023	11189	15205	2672	13009	5263	5807	2633	2919	7815	18833	10076	3707	7628	14646	17272	12854	8583	19331	9418	6444	9837	7588	13065	13403	13152	14923	16278	9627	15872	11696	14655	8344	16064	9862	6462	3368	0	0	0	9392	8825	0	18895	12121	8789	10458	4201	0	4020	1175	1409	21024	0	839	16866	4458	3838	2789	2631	4481	4524	14630	4246	13070	7655	11812	9457	11068	10710	10267	0	7292	8268	7508	6688	2020	1741	6648	1758	2124	10116	5374	6510	23069	19397	10561	27579	8639	14017	0	9792	10665	1595	814	1441	14574	7880	15750	0	12378	1567	0	7680	2614	Lipid	0.25	1.5	0.1
10	C20 H30 O5 N2	379.22275	379.2232	-0.22902957	379.22266	10873	9181	14374	8560	4663	4928	7277	14294	3645	10173	5593	8224	2863	4391	10678	16450	13315	5912	7887	17138	15408	13236	8936	18392	10740	5448	8763	6001	13412	11120	10571	14257	20820	11725	17581	15424	17724	5953	13648	14364	6311	4913	0	0	0	12524	7085	0	16783	11237	10786	14853	4346	0	3882	2808	2666	21812	0	0	13958	4631	2937	4080	2740	5081	9199	14633	0	15831	6861	11332	11674	10712	11103	8555	0	6835	10844	0	5566	1608	955	6815	1470	3678	18800	3985	7180	23436	24090	10670	26871	6278	11924	0	12213	12291	1782	1825	2091	18491	8031	14009	0	14166	3031	0	9466	3089	Lipid	0.25	1.5	0.1
24	C23 H31 O3 Na1	379.22437	379.22476	0.40307805	379.22452	1138	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1579	0	0	0	0	1755	0	0	2658	1356	0	0	0	0	0	0	1568	1321	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12547	0	0	0	1131	0	0	0	24919	1634	1156	0	0	0	0	0	0	0	0	1002	0	0	0	0	0	0	0	0	6404	48277	1576	3031	0	2708	9754	15196	1279	0	0	0	0	0	0	0	9345	0	773	0	0	993	18600	0	1117	0	Lipid	0.13043478	1.3478261	0.0
26	C25 H30 O3	379.22678	379.22717	-0.16438384	379.2267	37426	46880	45323	42811	47769	22623	31932	55960	35100	29574	63408	33092	39379	26141	42461	68244	61853	35244	55903	57913	48529	40141	37342	53566	49714	161066	29016	58566	60572	76504	50362	55357	61610	39845	36311	70832	49792	39004	53491	47347	59363	34095	0	0	0	28010	31074	0	51082	52172	48814	45024	47971	0	38395	28240	30616	56770	31165	31618	59696	26761	27761	30012	20598	39669	54297	73223	129845	73967	95563	44297	44452	60968	41194	58926	0	35048	59589	44447	42213	41749	36629	43194	48379	35928	62967	37452	40163	57789	33258	31688	61285	42145	33810	0	43916	45660	33738	46926	52315	69686	35634	53535	32499	50022	46285	0	49501	26017	Phytochemical	0.12	1.2	0.0
28	C25 H30 O3	379.22678	379.22714	-0.2303428	379.22668	9175	9701	10623	8266	13296	5032	8587	12808	8356	5341	11771	5658	8720	6435	7769	13171	9575	8256	13683	8043	6560	7177	6188	10755	12735	32735	8178	13451	12617	14600	10982	13366	15236	9513	9064	14546	9503	6508	9946	6169	8583	7498	0	0	0	8750	6365	0	8290	13020	9085	9152	10758	0	7873	9458	5906	12281	8180	5187	12066	4928	5570	5584	6229	11572	13683	11021	26964	10890	17629	6204	7525	13841	7611	11245	0	5376	11451	14785	7878	7232	8243	7836	12239	8092	19187	7878	6783	14087	6766	6302	10835	9008	3385	0	8370	9690	7462	17534	19072	18113	6613	12910	6538	10769	11474	0	8901	4986	Phytochemical	0.12	1.2	0.0
16	C18 H34 O8	379.23264	379.233	-0.28088596	379.23254	7568	2328	4576	8713	0	5438	4133	1967	4407	11693	9236	7862	2499	5288	4230	2860	6565	2560	3355	0	0	0	2001	0	4336	4581	8982	3828	3559	2607	4666	0	5629	4704	2449	5005	3142	2842	3835	2469	6124	3306	11797	11079	7564	3243	4093	9941	2495	5355	3992	2628	3613	9141	1892	0	7669	5436	64665	17414	0	9158	0	3897	6412	3897	4482	5398	5924	3044	0	5058	5104	2967	2690	5175	8494	2801	3259	0	4984	5105	1727	5487	4079	2754	7390	3686	8077	0	3722	4066	0	5388	0	9128	3042	3165	3668	3783	1807	1709	4440	37388	88332	0	2530	10948	7306	3440	Lipid	0.44444445	1.8888888	0.0
22	C19 H35 O2 N2 S1 Na1	379.23898	379.23935	-0.36982143	379.23883	2097	2337	0	3481	1265	1842	2590	2568	0	0	2692	1573	0	0	2106	5513	3588	0	5060	3374	4517	1815	2467	1388	2309	1967	4239	2768	2077	2906	0	0	4314	2906	1990	2159	4504	0	3292	1814	1547	1791	0	0	0	0	2145	0	2588	1740	2544	2144	1645	0	2221	2557	1196	1860	1811	2094	1289	0	2573	1338	0	2637	3580	3420	2344	0	0	1956	1413	1505	3291	2502	0	1872	4328	0	1182	0	1605	0	3925	1893	2487	1818	2939	2516	63231	117853	1669	0	2435	0	3132	2722	0	1870	0	3101	1839	1496	1421	0	1361	0	2697	1789	Organosulfur	0.10526316	1.8421053	0.10526316
26	C22 H34 O5	379.2479	379.2483	-0.1642526	379.24783	161973	142046	144758	149683	146433	87938	281482	132243	128667	140460	136004	67596	140977	135234	141310	139645	149368	172811	270328	216429	192861	140514	82378	103642	154416	125949	259397	208629	236216	176596	137651	204332	249984	152349	203989	227212	231983	137994	161138	157247	123478	121094	5866	0	0	113961	88363	0	188640	116083	149636	146882	159330	0	197487	129713	107910	187557	202504	95264	152992	140720	142966	126219	103520	205951	245903	184105	110997	167852	119247	95052	148637	190118	151010	162375	0	90853	111427	150301	75638	108897	200571	149813	144312	144185	193422	115280	167919	158836	287705	286322	173774	116953	147544	0	152152	176891	99294	138510	144239	277760	75454	216238	226258	110592	115485	0	123322	122333	Lipid	0.22727273	1.5454545	0.0
16	C22 H34 O5	379.2479	379.24863	0.55472684	379.2481	279399	279396	282336	235254	36417	69441	730977	380874	50835	242712	626667	224271	28572	300618	414024	180423	681210	20619	25377	344898	48171	185613	146544	315081	67119	64698	864750	2079276	102831	134625	65217	72402	31920	51705	18597	93642	28626	400739	251589	145671	538200	218094	1172310	47220	69003	691494	980361	120360	68502	359391	310719	257589	24906	224310	34962	22569	35313	512910	2692971	2622478	8279769	521046	106740	21018	66579	28755	80226	55776	4789965	228774	160542	91713	35082	123783	71199	79452	103506	243729	22461	4695741	33702	67725	139293	14796	22704	37497	17988	89103	64593	280314	124659	173814	109686	376380	228519	121914	284709	565893	204885	15705	39396	621132	200676	2467443	293115	40032	23484	92697	24399	36072	Lipid	0.22727273	1.5454545	0.0
26	C26 H34 O2	379.26315	379.26352	-0.23297314	379.26306	12575	16618	15745	12253	17129	4902	13467	18454	13212	3568	11898	14338	5440	8192	18228	26578	39528	0	20149	9666	6136	6753	10333	14010	18177	26810	17539	12202	16430	29210	16437	20278	22607	8875	5680	31533	17500	22244	34265	5882	11532	11618	0	0	0	7499	10038	0	18647	26845	16705	14795	14492	0	15477	12925	12312	23734	9337	11458	19992	6152	6430	9499	8271	11207	14483	46994	20564	10402	20327	8174	15253	31435	23778	22129	0	11337	22906	14733	14425	14409	11429	13011	21311	16899	34105	11430	15448	37387	7869	10584	18933	9058	0	0	16610	17546	14071	28932	27826	31006	14918	15759	6231	16731	19945	0	21008	4049	Phytochemical	0.07692308	1.3076923	0.0
24	C26 H34 O2	379.26315	379.2635	-0.2555678	379.26306	7291	16189	12430	10794	11422	3336	14875	14274	9370	2593	8396	11839	3319	6553	10417	19458	42654	3795	8926	4947	3327	4698	10219	11171	14412	9773	13206	6630	12681	19059	7863	14579	10711	7933	3985	17646	9736	13789	40124	3914	9709	6170	0	0	0	2668	5738	0	11207	19044	10254	12190	11877	0	8933	13102	9756	16012	5487	11283	11171	1154	5399	4115	6925	5155	10310	42032	6579	6368	12471	5080	6363	18922	25923	18585	0	10322	22733	8370	14134	7399	8261	4961	22017	8927	24485	7227	10054	42542	11554	5645	13580	5656	3261	0	12280	12447	9871	17963	18864	18324	10056	12247	3372	10039	15439	0	18590	4074	Phytochemical	0.07692308	1.3076923	0.0
24	C19 H38 O7	379.26904	379.26962	-0.07805516	379.269	0	0	1086	0	0	0	0	0	0	3114	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1377	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19673	0	0	13145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	118408	0	0	0	0	0	Lipid	0.36842105	2.0	0.0
22	C23 H38 O4	379.28427	379.2846	-0.1789377	379.2842	2164	2111	0	2323	0	0	50444	1788	0	0	2476	0	0	7242	1419	2619	10206	0	0	0	0	0	0	0	1271	5419	36209	4177	1656	1209	0	4213	1461	1737	0	2105	0	1286	8609	0	0	0	0	0	0	0	0	0	0	2716	3128	0	0	0	0	0	0	2575	0	1366	3741	0	1837	0	6778	1456	3418	9576	0	0	0	0	2592	3384	6175	1696	0	0	0	4357	0	0	16308	26068	0	1851	4882	0	3081	10456	0	0	0	0	0	0	0	1815	1163	1174	0	2617	0	1966	0	3714	1569	0	1590	0	Lipid	0.17391305	1.6521739	0.0
28	C23 H38 O4	379.28427	379.28464	-0.2150454	379.2842	11408	12783	10728	12023	7830	5386	113265	11030	5909	7124	17618	6215	6162	20425	12812	12013	14071	6683	7261	10288	6955	8937	7417	5838	16430	16864	79563	42343	17190	14303	7856	11775	10354	10124	8445	20609	9919	10820	13376	8641	10402	8816	4379	2598	6811	9822	8856	3573	13187	12102	9958	9608	8468	5346	9025	10146	8724	11700	27531	12591	17138	16385	11423	5981	20719	15270	22033	14600	14099	7347	8140	8068	9361	19403	7557	11381	7571	6754	8707	30145	5654	19995	23195	20431	9840	9716	24237	5231	7606	9423	30950	25778	7821	11983	7168	3744	13251	14042	9821	8724	15740	16331	8719	19974	32622	7514	9857	3732	9975	6225	Lipid	0.17391305	1.6521739	0.0
24	C23 H38 O4	379.28427	379.2846	-0.23932394	379.2842	21287	20362	21604	18221	9021	9743	367593	7847	4244	5372	15180	7293	3408	67212	8547	13400	36567	2709	6868	4622	3856	4431	3982	4251	8833	41529	351237	34313	12854	14552	7592	15291	12140	10229	4045	21592	8946	10871	34723	3714	20770	8493	4011	0	0	6084	8713	0	14482	8028	24103	21614	8975	0	3700	7685	13542	12990	6409	19292	24307	7550	30328	2678	48185	17674	36090	33019	8572	6630	22455	3747	11614	23751	22725	19390	0	6359	8874	38274	3682	20691	76411	87845	5083	8648	29113	6969	11924	33580	30456	21018	5086	9717	5933	0	22132	20293	13212	4614	6491	15903	6781	15706	13947	8331	4014	0	13044	5886	Lipid	0.17391305	1.6521739	0.0
26	C27 H38 O1	379.29953	379.29962	-0.2683309	379.29944	0	0	0	0	0	0	2953	0	0	0	0	0	0	0	0	0	12790	0	0	0	0	0	0	0	0	0	4704	0	0	8912	3200	0	2120	0	0	5403	1591	6166	12311	0	0	0	0	0	0	0	0	0	2703	0	2063	0	0	0	0	0	0	2807	0	0	0	0	0	0	0	0	0	14019	0	0	0	0	0	11433	8861	3970	0	0	11043	0	4164	0	0	0	0	0	28060	0	0	22716	0	0	0	0	0	0	1833	0	0	0	0	0	0	0	0	0	0	0	7290	0	Lipid	0.037037037	1.4074074	0.0
28	C27 H38 O1	379.29953	379.29984	-0.2787731	379.29944	1431	1107	1178	1029	0	0	6100	4071	0	0	0	1952	0	0	2964	1983	6674	0	0	0	0	0	0	0	2583	0	4597	0	3874	6345	1595	4861	900	1639	0	8155	0	4981	7860	0	0	0	0	0	0	0	0	0	4070	3655	0	1233	0	0	0	0	1782	3033	0	0	2863	0	0	0	0	0	1278	9416	0	0	0	0	1432	8366	2598	3608	0	1102	12082	0	3409	0	0	0	0	0	23741	1206	0	11335	0	0	0	0	0	0	1986	2075	0	1082	2172	2543	1206	0	0	1017	1333	0	5668	0	Lipid	0.037037037	1.4074074	0.0
26	C20 H42 O6	379.30542	379.30566	-0.23046671	379.30533	127913	125040	117260	120529	368329	822594	0	0	0	0	0	0	302774	5080842	0	5834	0	84178	798702	0	0	4265	0	0	0	0	0	1993	0	0	0	89220	2754	2151	2720	0	3686	0	2830	0	3746	1570057	5627	0	0	0	0	0	2358	0	127001	99989	123010	0	14216	0	0	1880	4813	4252	0	0	4835	0	18474	112220	5496057	3249	0	3800	2272	0	4352	0	0	2877	0	0	2055	7245	0	3468	0	0	6438	19371	0	508990	1101675	5924	7684	3626	0	2067	0	0	122812	112690	12129	2637	7708	0	0	0	0	3283	7170	0	0	0	Lipid	0.3	2.1	0.0
26	C24 H42 O3	379.32068	379.32083	-0.27266476	379.32056	5378	6476	8848	6287	1851	2764	212406	0	0	0	33822	0	0	47815	0	0	6258	0	0	0	0	2029	0	0	0	32419	207440	34774	0	6934	0	0	0	2157	3146	0	0	5824	9464	0	8250	0	0	0	0	0	0	0	4760	0	8139	9245	0	0	0	9175	7604	0	3111	12259	25780	5005	11960	0	56426	0	9872	5418	27016	3215	3727	0	0	0	0	4433	0	0	4186	24434	3692	18089	16796	29330	0	0	11235	2409	2459	7116	10363	5126	0	9226	0	0	8095	7288	13438	0	0	0	3711	14589	11750	1678	0	0	4525	2448	Lipid	0.125	1.75	0.0
28	C24 H42 O3	379.32068	379.32104	-0.17475614	379.32062	8971	8710	7244	7615	4872	5621	98799	12755	6250	8164	48135	6167	6549	20210	8211	9119	8023	5449	4471	6007	6963	6927	8856	6457	11439	30122	76937	40482	11220	14100	6849	6343	4801	6705	8289	8560	6184	10088	10155	5610	7995	10287	5492	6205	10320	7144	6890	7109	7725	9324	10423	8226	5791	12334	4338	10826	6933	4155	8939	10205	15917	9069	5692	4496	26319	4381	9941	6096	30623	4991	7247	6767	6186	9386	7512	7098	11922	5350	7047	28695	6349	15391	9546	12057	8504	8852	15132	5060	5048	7054	21470	13697	6329	14405	7368	6108	7140	9114	9149	5564	7296	7495	9146	13975	15229	4144	5195	7031	9722	4352	Lipid	0.125	1.75	0.0
16	C16 H13 O10 N1	380.06122	380.0617	-0.013981541	380.06122	3486	6060	4040	4973	13839	8387	0	1626	14530	4353	4479	1686	28910	7409	3550	2271	2640	17858	15419	2977	5774	12696	4263	2576	0	0	0	0	0	0	0	0	2318	0	3548	0	3074	3919	0	3363	9827	6280	414	0	0	2259	6606	757	1643	0	3574	4526	9595	0	12920	15738	7360	0	0	2408	0	2529	28796	18176	5831	17244	9052	3488	0	0	0	0	0	0	1759	1237	0	2104	5630	10323	5001	1870	0	0	16527	4609	5112	9309	5921	0	0	2988	0	17030	8404	0	4475	5419	9143	19507	16783	5499	2345	0	3569	0	8782	0	0	34225	Phytochemical	0.625	0.8125	0.0625
12	C16 H13 O10 N1	380.06122	380.06174	-0.112548366	380.0612	2639	6486	5102	4275	11366	4098	0	0	17818	5808	9400	2761	25181	3294	0	1869	1993	14903	14314	2696	11075	16827	4736	0	0	0	1246	0	0	0	0	1211	4390	0	12913	0	3389	0	1580	2505	9356	6255	0	0	0	5489	4986	0	1141	0	6968	5858	8543	0	19837	16764	6270	4179	0	0	0	2767	41996	19396	5536	15991	5884	0	0	0	1600	0	0	0	0	0	0	1147	4213	0	2782	3059	0	0	15367	2177	4307	4580	6600	0	0	2031	3218	19548	10606	0	6990	6539	10752	18168	11171	2591	1630	0	0	2085	9589	0	1113	35841	Phytochemical	0.625	0.8125	0.0625
10	C16 H13 O10 N1	380.06122	380.0618	-0.008540303	380.06122	5188	3160	3127	0	9635	1930	0	0	9489	3266	3785	1069	16899	2415	0	0	0	7000	7293	2508	3764	10570	2515	0	0	0	0	0	0	0	0	0	0	886	4923	0	1500	0	0	3082	7128	2591	0	0	0	0	3165	0	1132	0	2348	3076	5192	0	7454	10218	2851	0	0	0	0	0	19830	13537	2854	11900	3644	1177	0	0	0	0	0	0	0	0	0	987	0	0	1514	921	0	0	7959	1645	1071	3686	2648	4122	0	1920	2533	8427	4329	0	1392	0	5949	11989	10381	0	0	0	0	1232	4745	0	0	23618	Phytochemical	0.625	0.8125	0.0625
18	C16 H13 O10 N1	380.06122	380.06165	-0.071316406	380.0612	4281	1886	2496	2451	10518	4878	0	0	11631	2616	2573	2062	20873	4341	0	1576	1902	7556	8278	0	2466	7833	3559	0	0	0	0	0	0	0	0	0	0	0	3759	0	2568	1699	0	1814	5925	3746	694	0	0	0	4545	490	0	0	5639	3600	8222	0	14495	9405	2646	1178	0	1487	3465	2343	24453	11937	3928	12712	2469	0	0	0	0	0	0	0	0	0	0	1327	2317	3882	3162	0	0	0	10247	2811	3689	4098	6535	2948	0	0	3667	12830	4929	0	5532	3420	5221	11433	11482	0	2157	0	0	0	4433	0	1423	22871	Phytochemical	0.625	0.8125	0.0625
14	C16 H13 O10 N1	380.06122	380.06177	-0.07044834	380.0612	6736	6074	3957	6279	13402	7177	0	0	17268	4473	5424	3391	35719	4046	2404	2305	0	13483	17060	2605	12082	18198	6091	0	0	0	1253	0	0	0	0	0	2675	0	9420	0	3354	2477	1594	3732	19941	4318	0	0	0	2719	4511	0	0	1541	6785	4545	7801	0	19714	18622	7953	1591	0	0	0	7897	42401	30197	4221	23645	5514	2295	0	0	1320	0	1124	0	1595	0	0	3084	4954	0	4049	2321	0	0	17760	6241	3648	9474	5844	8059	0	2693	4987	22577	11528	0	6673	4661	9334	21958	17595	2273	1923	0	0	3192	12989	0	1113	35536	Phytochemical	0.625	0.8125	0.0625
18	C20 H13 O7 N1	380.07648	380.07693	-0.1257977	380.07642	2002	0	0	1830	4444	0	0	0	1245	5736	7278	0	2518	0	0	1789	0	0	0	2347	5247	3968	1261	0	0	8452	1696	2189	0	0	1438	0	0	0	9679	0	0	0	0	6205	11133	1146	370	0	0	0	3859	0	0	0	0	0	0	0	0	1618	0	2246	0	0	0	2603	0	1241	2284	1578	1307	1769	11006	7248	20996	0	0	0	0	0	0	0	1906	5745	1283	1816	1482	4107	1781	0	0	1279	0	2409	3775	0	0	9120	12305	0	0	2661	1184	1758	1496	1441	0	2924	0	0	1586	0	1195	0	Phytochemical	0.35	0.65	0.05
20	C17 H17 O7 N1 S1	380.07986	380.0803	-0.030745097	380.07983	2753	2492	3531	2855	4645	2353	0	0	5138	12361	7537	0	4810	1925	0	0	0	7859	4449	9520	9865	17442	0	3230	2215	6397	1567	2991	0	0	1742	0	0	0	18342	0	2912	0	0	15477	14040	2429	0	0	0	6203	5499	0	0	1311	5056	2948	3501	0	4116	3744	1222	3925	2831	2689	1722	12051	2197	2886	1796	6417	3520	0	5634	8327	12480	0	0	0	0	0	0	1113	5345	15183	2079	3652	2360	0	3380	1151	3175	2290	3815	1913	9060	11241	3794	23360	25827	0	2414	3701	1592	3899	3529	0	0	3095	5047	3461	3011	0	1434	4795	Organosulfur	0.4117647	1.0	0.05882353
14	C17 H14 O6 N3 Na1	380.0853	380.08618	0.55928856	380.0855	1983	0	2344	0	0	0	0	33206	0	0	0	9524	0	0	4870	95478	0	0	0	0	0	0	0	0	3272	0	0	0	0	2623	51826	0	0	0	0	1459	0	4074	0	0	0	0	0	0	0	0	0	0	0	16279	0	0	0	0	0	0	0	18434	0	0	56171	0	0	0	0	0	0	0	0	0	1441	17272	0	4482	0	0	0	10000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8613	0	0	7396	0	0	0	0	Unclassified	0.3529412	0.8235294	0.1764706
8	C21 H17 O4 N1 S1	380.0951	380.09546	-0.264446	380.095	1185	0	888	0	1034	676	1148	0	2090	0	0	0	0	0	1709	1325	0	828	1331	1155	0	1012	0	981	0	0	0	0	0	0	960	0	0	0	0	0	1018	1966	781	0	1215	0	0	0	0	0	0	0	0	0	0	0	1175	0	0	0	621	1535	0	0	0	0	0	1210	0	0	1489	0	0	0	0	1031	0	0	23530	0	0	0	0	0	0	628	0	0	0	0	992	0	1396	0	0	0	1258	0	0	0	1012	0	0	0	0	0	1016	0	0	1183	0	0	1199	928	Organosulfur	0.1904762	0.8095238	0.04761905
8	C17 H17 O9 N1	380.0976	380.09814	-0.12752673	380.09756	56308	59212	45053	63488	55091	29760	16327	32385	78221	112998	94983	34474	112422	17839	25556	34661	37596	62680	73671	81265	132238	105711	37653	35039	10320	18330	17379	28615	24360	22480	24795	30260	39351	28420	161329	23261	40976	22905	45000	82056	157370	33652	716	0	0	55542	100956	0	28686	28993	57094	58157	39924	0	87127	61101	31816	35524	30001	47044	39482	75962	136607	90679	27158	81865	35524	51206	59951	42641	90950	28981	26677	18908	24914	25435	0	24174	40229	57633	29233	36786	17924	27794	66389	21216	31606	44260	36891	59471	23572	37085	55640	102240	90371	0	64223	51799	56043	77592	53239	40710	27044	42129	34832	40951	50323	0	15671	125904	Phytochemical	0.5294118	1.0	0.05882353
10	C17 H17 O9 N1	380.0976	380.09814	-0.07408157	380.09756	107939	90332	80248	91122	94653	49873	31090	59946	116513	223339	155066	55052	163052	43211	45264	64073	56274	126980	124364	144682	228569	214958	62442	71803	18365	39272	32477	58562	46406	47770	50228	47396	80910	46370	297852	43634	76048	48717	67589	165268	275412	52778	2031	0	0	97556	175654	0	60499	54984	112650	109176	67927	0	144226	93537	49230	59183	66471	74560	81862	142925	196890	141469	43495	126757	62478	78275	126444	79862	142882	49238	42215	36352	47413	44863	739	40073	66205	109049	51609	75539	34750	53905	98129	44198	55670	66836	64678	88244	37036	72207	98178	187205	177265	0	99613	90808	79015	101954	96112	73469	49568	77758	93305	72045	75998	0	32149	200455	Phytochemical	0.5294118	1.0	0.05882353
12	C17 H17 O9 N1	380.0976	380.0981	-0.10649407	380.09756	123092	141410	137829	133222	111702	81611	50544	75147	156975	293509	194880	58047	207911	41934	65483	64280	90084	175439	179807	208931	306637	353981	94409	90313	34694	49401	40350	102239	64651	50489	58486	61351	109605	52448	448736	53870	90854	64420	95486	221403	363168	76993	2765	437	341	144727	242836	574	68409	68202	129819	123903	101521	233	205234	113221	64372	87309	72961	95146	78861	210365	271553	174514	56344	167197	77970	106552	190189	105500	185140	58417	49241	41687	58814	53483	271	57248	81245	206328	70089	111579	42179	76244	120058	63348	80135	79325	87279	124325	69693	125051	133836	320700	247484	536	143516	145042	100975	121993	102318	102649	61250	78171	115117	95710	94337	0	43759	274965	Phytochemical	0.5294118	1.0	0.05882353
18	C17 H17 O9 N1	380.0976	380.09802	-0.14565514	380.09756	58206	51361	55477	49838	65385	40052	14970	21987	46681	134711	67413	20471	124319	29605	31578	31901	27667	92997	89925	78407	89287	134091	38889	32786	16620	44526	14423	41553	20783	13955	20961	15297	42006	17474	142289	15271	40829	25641	20878	83093	87152	29121	3214	415	1171	63246	84771	1081	22657	17404	59463	41485	40225	768	83872	51414	32716	40442	25907	23536	36938	85537	102875	79048	30585	62898	41264	18898	64871	72192	68447	18665	13466	10844	14877	13459	607	17962	39676	103629	27847	57340	16635	47187	65677	34303	35863	43140	40096	38945	48442	61034	60461	103366	136201	828	43623	47485	41782	45102	51223	33451	21355	23576	55594	30993	39249	491	23831	106628	Phytochemical	0.5294118	1.0	0.05882353
20	C17 H17 O9 N1	380.0976	380.098	-0.16337675	380.09753	14525	21510	23965	17478	26034	20949	8255	6798	30275	37698	13412	8124	59371	12497	16829	15597	9471	36080	34460	18905	29128	44681	18567	13630	8889	7009	11149	8035	8112	5472	11316	5804	17642	6385	44058	6622	13953	13400	9896	23554	26040	15004	1617	0	967	23294	39243	1839	9837	8893	19763	19740	18811	501	30234	25057	16258	14177	8505	7056	14835	23061	54929	36538	9549	37750	13969	7655	13226	13135	14186	6987	6367	5167	11250	7299	866	6839	12653	30447	14890	21387	8568	10965	31054	17066	16185	18165	14747	11089	12457	15806	21963	41642	34562	1005	14886	21139	19831	23751	28070	9060	7152	12720	17505	11414	18289	0	9339	57410	Phytochemical	0.5294118	1.0	0.05882353
14	C17 H17 O9 N1	380.0976	380.09808	-0.09970887	380.09756	129375	132860	115542	136673	128892	93581	54143	73220	159187	346903	187711	52089	243242	61316	68351	80777	74644	190209	163680	205374	306669	378971	80602	86346	44379	53250	45695	94383	59478	55132	59534	68953	109489	56067	435935	54982	103232	62096	72321	226905	275921	80867	3608	483	463	144306	234893	560	67504	54518	130927	130109	98168	806	207949	119870	71522	92560	115243	71886	83428	208150	274654	193078	61259	170142	96480	65718	134898	105009	135846	56972	53098	47687	50651	51972	438	56805	88938	236555	72815	121516	50805	86504	124837	73226	84449	90799	95696	129225	76240	127142	149655	297160	297450	1052	133267	116511	98471	125165	113753	103366	59900	90703	130256	96862	94793	488	46750	249660	Phytochemical	0.5294118	1.0	0.05882353
22	C17 H17 O9 N1	380.0976	380.09805	-0.108888514	380.09756	9094	6023	6702	6558	9733	9200	1347	2613	12190	16028	4247	1919	13847	6711	7035	4530	3258	20979	8577	3325	10017	18035	6271	3110	3109	2023	3019	3608	4660	2328	2268	0	3793	2622	12600	1435	5703	3475	1935	9054	10923	3147	0	0	1279	7544	16077	0	3287	1752	9327	6536	9124	1093	19911	12373	5261	5696	4097	2878	2470	9274	16691	17189	4673	12664	3201	2777	5889	0	5027	2913	2263	2481	2048	1707	807	3058	6882	10078	4529	7684	0	3377	10642	8116	4927	4713	4367	3871	5580	4192	6493	17130	18963	0	4354	8675	4696	7825	12426	3810	3248	0	5591	4586	7477	0	4305	21574	Phytochemical	0.5294118	1.0	0.05882353
6	C17 H17 O9 N1	380.0976	380.0982	-0.13517939	380.09756	21949	22826	19491	21981	23656	10468	5918	10572	35526	40526	39025	11348	47359	8711	7180	11955	12813	30298	33311	24924	47467	39162	13138	15241	2806	4456	6196	9423	6875	7144	10753	8971	15764	9165	50217	8706	14752	9229	16865	23064	50545	15027	0	0	0	13363	30317	0	12077	11153	20833	23099	17797	0	38266	26799	12830	12505	9175	18421	15957	20452	59308	37908	13100	31635	16209	21509	20479	13344	33244	10470	10301	6726	6967	9560	0	8680	14349	15806	8845	11506	5601	7672	30488	11869	8937	19366	19484	22056	6331	16041	22094	34139	27757	0	20731	20789	20479	34253	31811	14560	9052	16195	10461	15424	22145	0	6207	55661	Phytochemical	0.5294118	1.0	0.05882353
16	C17 H17 O9 N1	380.0976	380.09805	-0.12866998	380.09756	80082	96240	92043	88375	95836	69566	32629	46549	106615	246424	105336	34984	197254	43862	55960	53606	49160	164829	145764	145848	176773	222018	65519	55253	37316	32638	26768	72764	36721	29173	45232	48702	83276	37709	286556	36927	79228	41365	48721	157476	159176	61545	4048	468	948	104732	138329	967	49460	41587	98860	89339	88535	817	149850	84199	47917	69450	60548	43820	52914	128419	193657	124954	42381	127036	70588	43616	89496	71542	88489	37386	35932	20831	38651	32054	487	39018	72915	159129	48917	82621	29267	66494	103124	62960	71888	60031	64887	72806	57782	94001	98003	193253	229477	929	95203	89002	71038	84952	100033	71296	36247	62926	82452	73850	77605	572	33958	216933	Phytochemical	0.5294118	1.0	0.05882353
8	C16 H17 O8 N3	380.10886	380.1094	-0.14022064	380.1088	19941	28574	15880	24635	14467	12109	9574	14856	23867	16684	19179	21485	30841	5584	13833	19600	20718	23109	33391	17115	23272	40369	21441	19883	7651	1662	9459	5059	10619	14356	13159	14299	20287	14055	32563	13802	22984	14006	27563	17679	32731	14396	0	0	0	17566	24537	0	16774	17013	17471	19511	15037	0	26429	0	15782	17935	18299	21895	21670	18246	46460	30298	12611	28168	17547	22545	4866	5058	7161	16738	13637	7556	14269	12080	0	13061	21239	10229	13576	10272	7602	9312	19196	10897	19571	21868	20962	42108	0	24347	43658	20474	15886	0	23464	24260	15633	0	18536	18395	16669	18098	14417	24806	17682	0	11110	42476	Peptide	0.5	1.0625	0.1875
10	C16 H17 O8 N3	380.10886	380.1093	-0.16544701	380.10876	21214	22949	15025	16027	18497	11627	11779	14347	20311	16245	13791	16047	0	8433	15477	17785	16802	22125	28565	15143	18859	37102	18236	26911	9763	0	11700	4818	10957	8731	13226	15453	20591	12339	18532	12083	21257	15466	25503	18852	23009	11624	0	0	0	12349	22121	0	14623	11798	17781	19661	16589	0	28052	13196	10893	17645	13971	18185	14880	13654	0	24347	15759	24541	20957	26152	0	5463	8247	15835	10551	7428	13819	10510	0	12324	21559	8224	16544	11523	7214	5469	17949	8240	18942	17809	13814	34305	4740	15758	41269	22264	18038	0	20734	20084	13153	0	16526	17784	14701	16674	15071	24085	11361	0	11019	37920	Peptide	0.5	1.0625	0.1875
12	C16 H17 O8 N3	380.10886	380.1093	-0.15486342	380.1088	13791	12352	7175	12198	11320	6828	6226	8930	14638	8996	6425	8610	16583	3815	8047	11877	13359	14711	18307	7915	11448	23662	12941	10921	5393	1266	4430	0	8908	5105	10337	6313	17038	8097	16406	4785	11801	9835	20882	10897	14705	7888	0	0	0	9998	8314	0	9804	7167	10712	11046	11912	0	20049	8267	8167	10251	7401	9464	0	7207	21353	16120	7174	17695	11237	14007	0	3534	5621	10149	5541	2402	7369	6599	0	9340	12106	0	7646	8790	5317	2530	0	7057	11248	9227	10806	21376	6064	9191	32065	12088	10350	0	13504	10177	9356	11714	9023	13927	8310	3933	0	13086	8232	0	8100	0	Peptide	0.5	1.0625	0.1875
14	C16 H17 O8 N3	380.10886	380.10928	-0.10643248	380.1088	7277	2928	5773	5664	7191	3292	3033	4046	7170	3991	4177	4806	9116	3017	4838	7393	8541	10012	8530	0	7153	8584	7972	8466	3628	0	3430	0	3061	3182	2889	0	8650	4656	6648	0	5439	4363	7187	5178	7274	5060	0	0	0	2728	0	0	3706	8346	7136	5139	7325	0	8617	3700	3776	5609	0	5626	0	6335	9284	6498	3252	11470	4346	8217	0	1850	2639	4154	3102	0	5128	0	0	5316	5306	0	4752	4037	2771	3340	7633	4190	9702	8012	6444	20202	3646	7308	14578	7767	5319	0	0	6574	2438	4495	5839	6969	5230	7266	0	6282	3123	0	4480	10016	Peptide	0.5	1.0625	0.1875
6	C16 H17 O8 N3	380.10886	380.10944	-0.11765459	380.1088	17159	17721	16331	17116	12928	8493	8176	11286	19693	14308	12612	13328	25791	5173	11272	16468	16929	19756	22109	11791	19673	22619	17166	22245	4280	793	9012	3079	10292	8295	13583	9435	17068	10430	15744	9930	16339	11832	19531	13831	28522	12139	0	0	0	9268	23917	0	14116	13275	15392	18650	14821	0	20830	14310	10919	13903	9768	17084	11258	14790	38474	22276	11446	21121	16819	22748	5008	6349	8956	12778	9003	9494	7356	10001	0	7711	11970	7338	9739	8429	6832	5209	19927	10241	12993	16092	14663	30938	4685	13451	35519	13688	13045	0	15714	15384	11187	15924	18004	20304	12450	12716	15861	21289	12931	0	8538	32441	Peptide	0.5	1.0625	0.1875
10	C21 H17 O6 N1	380.11285	380.11334	-0.13690515	380.11282	0	2818	1826	2225	1431	0	0	0	1301	6623	5386	0	0	0	0	0	0	1262	2139	4033	6149	0	0	0	0	17591	0	2998	2051	0	0	0	0	0	4265	0	0	1223	1199	4727	6444	0	0	0	0	1991	7347	0	0	0	1974	1282	0	0	0	1069	0	0	0	0	0	0	1092	0	0	0	0	0	18970	16332	24474	0	0	0	0	0	0	0	0	0	0	2112	0	2968	0	726	1478	0	0	1409	0	0	0	4908	4080	0	1412	1315	1523	1003	934	1203	834	0	0	0	1711	0	0	0	Phytochemical	0.2857143	0.8095238	0.04761905
14	C21 H17 O6 N1	380.11285	380.11334	-0.1085947	380.11282	2054	3660	3289	2786	1069	0	0	0	1793	14375	9919	1354	1502	2283	0	0	0	2039	2200	9564	5779	4631	1738	0	0	38302	0	9026	0	0	0	0	0	0	8994	0	0	1440	2242	3119	8138	0	0	0	0	4396	9766	0	0	0	1511	2303	0	0	2764	2178	0	0	0	0	0	3463	1570	1930	1015	0	0	0	29425	32006	41538	2121	0	0	0	0	0	0	2283	0	0	3823	1054	5663	1941	0	1217	0	0	0	0	0	0	7975	6344	0	0	2739	1517	3202	2517	0	0	0	0	0	1118	0	1550	3227	Phytochemical	0.2857143	0.8095238	0.04761905
12	C21 H17 O6 N1	380.11285	380.1134	-0.12522058	380.11282	0	0	0	1733	2161	0	0	1731	1184	7574	6844	0	0	0	0	0	0	1372	2818	8279	11629	5452	0	0	0	31030	0	0	0	0	0	0	0	0	7354	0	0	1324	1388	6312	7495	1093	0	0	0	3594	5836	0	0	1004	1938	2046	0	0	0	1672	917	0	0	0	0	3317	1820	0	1156	1327	0	0	19718	26818	36248	0	0	0	0	0	0	0	0	0	0	2598	0	3443	882	1206	0	1055	0	0	0	0	0	4390	7281	0	0	0	2152	1755	1464	3005	0	0	0	1725	814	0	1310	1424	Phytochemical	0.2857143	0.8095238	0.04761905
22	C21 H17 O6 N1	380.11285	380.11325	-0.19275421	380.1128	2390	3560	2338	3337	2452	0	0	0	1582	9402	13156	0	0	0	0	3521	2132	0	2411	9032	9777	7812	0	1300	2027	16308	0	10618	0	1481	1303	0	3273	0	10596	0	0	0	1740	11828	21989	1217	0	0	0	8992	14491	0	0	0	5211	5360	2219	0	2501	1400	1535	0	1077	2852	0	7740	1939	1840	0	1865	1994	1374	26699	11512	40684	0	0	0	0	0	0	0	3192	11946	1742	9904	1654	8069	2853	1410	2852	2916	3027	3466	0	0	0	15786	6129	0	4084	4618	1518	2618	1954	0	0	2125	6535	2534	1952	0	1735	2404	Phytochemical	0.2857143	0.8095238	0.04761905
8	C14 H21 O11 N1	380.11874	380.11926	-0.20722277	380.11865	68177	63938	37041	62212	40517	34476	19371	39708	46140	109092	62301	35914	78265	20776	36848	44473	52375	18232	62755	77841	116253	106836	46887	53530	12472	53616	23667	26886	30820	36144	38261	49894	54286	36326	140529	31312	54908	25493	60688	87948	127125	36151	0	0	0	75198	101490	0	33843	34409	51904	60318	36984	0	17677	45901	29007	46149	0	48924	29124	74352	27998	57312	28641	59705	33569	63202	43329	97134	176172	36642	35549	29030	23990	0	0	33475	92078	49125	63666	46116	20832	79200	89880	0	35799	44632	75310	71355	36585	46188	77672	74313	68661	0	102468	110989	82056	61222	24797	54465	66219	43440	39282	50007	40572	0	23988	81265	A-Sugar	0.78571427	1.5	0.071428575
14	C14 H21 O11 N1	380.11874	380.1194	-0.10594274	380.11868	40150	33804	20666	33600	34422	26674	8036	26181	41271	81340	15690	15820	59586	11363	23166	9599	15823	42694	36495	62150	86484	34527	21889	10455	7791	26420	17050	14086	9905	6381	20968	8385	33898	13246	78508	10453	30780	14840	24808	79738	32548	22010	0	0	0	45974	27747	0	12247	6771	29096	41296	31834	0	28879	26453	14582	27870	10420	11093	0	48078	33412	42208	14212	34892	13527	27902	27271	41613	75628	8217	8804	5341	6782	6387	0	16836	38483	19523	28272	36584	9893	46230	28733	9143	28570	25822	18556	13178	27022	31930	45280	26196	71314	0	33829	14381	22904	31852	29371	15613	10788	18386	0	27566	23225	0	8975	52846	A-Sugar	0.78571427	1.5	0.071428575
2	C14 H21 O11 N1	380.11874	380.11935	-0.006830266	380.11874	2816	3579	1812	2885	1992	0	0	2736	1644	0	0	1584	5990	1084	1286	295	1085	5246	3453	0	672	1654	1130	1855	0	0	0	0	2692	1422	1431	3150	4356	21026	0	3176	3545	1251	759	0	0	0	0	0	0	0	383	0	3500	0	2604	2304	2294	0	0	1547	0	3213	366	607	1054	0	3648	1490	0	5900	2330	1236	0	0	0	26481	11998	2774	0	2015	0	1192	1570	0	1348	0	0	0	3127	1016	1456	11725	3602	2762	3140	1750	2339	388	0	0	2128	2751	0	1707	2021	2180	1448	0	0	3105	1609	0	717	3683	A-Sugar	0.78571427	1.5	0.071428575
18	C18 H21 O8 N1	380.134	380.1344	-0.12900162	380.13394	189825	170868	155633	178695	152378	130669	84739	140968	145962	434176	201055	76591	260141	84820	106421	149900	92231	249884	234945	338057	344439	304603	141203	160902	99023	258585	75748	162256	126964	104178	125142	139169	167189	123368	476097	119892	178291	90697	97258	307948	228274	111301	6122	1603	1818	208390	193521	1285	133217	100442	161144	166393	128434	2057	223674	140000	87753	133802	124274	79842	152004	213544	221241	162441	72897	180037	135419	87494	246789	292684	290864	114048	103641	111970	92973	106546	1472	93289	123571	178908	106874	152833	97381	178411	164827	112433	124786	0	129903	118653	154747	207295	220898	198564	309511	2742	169013	185735	114770	123427	122210	158411	75948	153530	120816	132704	114895	1799	108559	234225	Phytochemical	0.44444445	1.1666666	0.055555556
4	C18 H21 O8 N1	380.134	380.1346	-0.18801661	380.1339	23579	26519	24859	20125	20770	16056	8082	19283	31045	45850	38637	14500	96948	12484	14095	18964	22820	31111	57200	39237	55271	51063	16535	18805	7221	12369	9579	17652	11502	11767	14671	14648	22414	13312	70987	11993	19023	14125	29607	33033	102460	17141	896	287	486	25473	41853	0	15276	16684	22664	21930	16618	435	71676	29446	13739	18452	15450	25532	18477	24325	90818	63674	12986	31595	15306	27667	27870	20561	27884	15033	12663	13990	7463	12672	419	12287	18773	21233	14958	17229	11045	12841	29018	13198	15718	15336	17298	24776	16131	17644	38474	37613	40015	740	20342	26726	21120	38893	32674	20760	11465	24485	21849	35892	21124	362	9206	87814	Phytochemical	0.44444445	1.1666666	0.055555556
12	C18 H21 O8 N1	380.134	380.1345	-0.08967145	380.13397	402286	436985	466545	434963	243738	214401	250787	428203	343260	1093312	513875	227216	370330	121070	269236	343113	298488	447991	485549	981923	1074895	819143	319231	410947	216586	510828	200805	422880	366114	303353	350074	343626	469976	331816	1541737	332862	407120	253806	320395	1002007	835929	233249	7973	1088	1088	594442	551346	1140	364953	332898	456546	419824	248488	1580	500706	222991	175909	368366	452696	358472	476330	660376	488812	351124	143204	358613	251771	307941	595953	845957	812200	353480	322402	331291	244270	310896	843	246282	264029	355658	265923	400596	312970	448372	247515	181995	253731	213706	257238	403926	338668	519417	501063	505899	621793	1961	468134	451847	247980	196619	194869	390730	237270	420011	440219	351660	215870	787	229222	546477	Phytochemical	0.44444445	1.1666666	0.055555556
6	C18 H21 O8 N1	380.134	380.13458	-0.112657234	380.13394	185528	402218	167742	180048	123584	93484	72786	299902	182303	467430	286738	215618	523759	57848	102187	324675	233801	364034	388004	622388	914416	638513	253306	174587	51136	98474	73020	139436	108568	120744	251948	256452	349344	247787	1228600	124886	319724	203207	360556	222232	373314	97116	1768	574	780	172928	657896	820	161338	238060	358807	336660	232160	1220	454760	130962	143648	140529	130162	355172	155074	207982	580487	189008	70182	194503	248952	349736	185808	178594	288496	244280	242088	212988	75026	204168	554	172971	194336	130256	193352	245813	168956	98410	142307	83676	224021	223359	115936	376085	99614	149080	411480	469288	263214	1060	358984	331027	105180	136288	136698	320528	188404	175368	170934	299908	112350	0	73856	614424	Phytochemical	0.44444445	1.1666666	0.055555556
10	C18 H21 O8 N1	380.134	380.1345	-0.10784837	380.13394	350354	328191	309680	279325	185048	149481	173619	309151	248707	799287	400694	189666	324358	101149	199155	292515	204143	309903	333540	685166	752056	528437	225808	322064	145029	331014	161562	255220	255266	252454	231104	259930	349795	237657	944279	250988	342170	182839	263643	639347	1286656	168700	6637	924	1043	380148	413559	529	279596	242727	331458	332871	173647	1416	349209	172064	108150	279950	290785	264419	338155	409405	311016	280186	117740	251585	175469	250754	473247	544775	582323	262985	237457	241583	184945	244680	800	173250	218876	237910	204477	276556	217238	286836	186888	131981	183322	167332	174307	271464	222715	302164	368964	359501	500537	2535	330634	348221	166244	158520	152325	285865	176109	337455	279749	251033	148912	1173	169974	391363	Phytochemical	0.44444445	1.1666666	0.055555556
2	C18 H21 O8 N1	380.134	380.13467	-0.16082634	380.13394	8224	9824	6467	8815	11200	0	5483	7543	14478	12985	15421	8611	22425	4561	6053	2350	8088	11965	13060	9319	22900	16091	7274	5264	2223	3115	0	8682	7207	3940	7430	5041	10888	5369	21961	5863	6654	5738	9130	9200	17612	7842	243	313	507	4679	9627	0	6974	4418	8070	8733	9140	366	13493	9996	6379	8308	4192	8783	2251	6207	19318	15482	4498	17609	7486	10769	6530	7093	12156	8379	4673	3988	885	5375	398	5324	8539	6739	6213	5844	3718	3786	12651	5866	7402	8526	8504	11978	4071	4799	11518	16460	4690	406	9419	8342	9887	13152	14029	5277	6329	6058	6176	7248	9128	0	4895	18985	Phytochemical	0.44444445	1.1666666	0.055555556
8	C18 H21 O8 N1	380.134	380.13452	-0.091158405	380.13397	400058	413016	299194	426400	116482	83445	84133	157520	158898	891942	246493	115688	216099	56082	217620	162824	257800	166359	410272	382783	943684	364766	126407	175050	61448	138670	186304	154046	260474	258610	248720	321328	345084	263022	1266050	259208	331356	103329	325392	660806	423874	100779	2908	385	506	230283	587350	432	326136	292490	396868	382610	212828	614	218420	118928	73718	301342	309350	163258	182998	464616	234615	396116	69642	155750	219674	330796	232748	240023	337318	316296	136525	257298	94458	276468	448	107997	128148	141427	225102	312592	227058	151820	121609	68364	116200	102856	117091	179720	109787	214063	414436	229067	578784	1128	395016	200576	110374	123809	121361	159970	196416	220722	132606	140747	110981	381	184750	244009	Phytochemical	0.44444445	1.1666666	0.055555556
4	C17 H21 O7 N3	380.14523	380.14584	-0.19143187	380.14514	31985	35188	32002	26327	13999	15034	15507	33141	19414	27208	20448	23529	25102	8811	24096	33670	49622	24829	28039	27341	35315	50718	30175	38121	14225	4770	19065	12874	22725	26125	28718	27950	38768	24190	42178	27891	33316	25205	65811	33006	47416	18976	0	0	0	32439	55025	0	31784	33211	33268	31649	15931	0	26190	16169	13775	33257	28323	41593	37365	23779	29261	20769	18684	23036	19452	60057	11771	9881	16118	27360	24640	29557	16790	25514	0	20683	26972	19771	23615	19370	18593	14015	18616	16650	25098	25969	25027	51474	56918	44669	61536	28601	25182	0	30525	34519	15995	19107	19573	35633	22935	41835	27590	32555	14582	0	18390	28936	Peptide	0.4117647	1.2352941	0.1764706
20	C17 H21 O7 N3	380.14523	380.14557	-0.23613147	380.14514	70603	0	60827	57899	67163	53887	30144	57620	74323	121903	50376	35219	95420	33117	55735	46541	27045	88964	80931	115652	98616	73086	54189	55144	44597	85771	29936	45326	59618	45141	52861	48246	56024	46707	135367	46405	70153	46856	30722	85106	55880	44746	0	0	490	65302	54853	0	50235	47131	72977	68312	41929	885	91996	53210	32180	58702	50161	31581	45186	60945	102016	69657	28587	70878	38056	32442	79476	157548	117152	62359	50471	50524	30257	52247	669	40014	56820	34478	50030	37843	31809	60014	65017	39298	50205	34528	37278	32228	54474	63102	61704	36043	48171	775	64822	64967	47371	60132	53621	50081	36738	54098	43155	47869	41283	0	38421	112119	Peptide	0.4117647	1.2352941	0.1764706
16	C17 H21 O7 N3	380.14523	380.14563	-0.26007012	380.14514	230556	251538	241943	244777	179712	147091	137400	205515	210151	474830	254387	137717	240868	104747	191438	216067	147343	260857	272935	480710	443934	277011	213311	220473	138938	462267	121408	226676	186104	178776	197738	219253	218847	189098	566886	171269	222754	163552	152637	346044	284258	132472	4505	1146	0	230386	201988	1218	228002	197135	240839	245580	167518	0	250035	147567	116768	218378	183389	132648	209731	223082	246615	205450	94039	201165	22692	153177	380076	650060	601349	208713	182779	185283	149694	199097	0	145223	205661	131475	170117	169391	154556	224875	179577	116778	196129	140610	149498	0	176157	220453	0	162919	240657	2290	247327	238426	150130	137003	149307	209761	132238	186387	121292	203196	150882	1067	166973	277832	Peptide	0.4117647	1.2352941	0.1764706
2	C14 H25 O7 N3 S1	380.1486	380.14914	-0.29829726	380.1485	0	2156	1265	1307	0	0	0	0	0	768	2580	0	0	0	0	0	0	0	448	0	0	0	0	0	0	0	0	20521	457	0	0	0	0	0	0	0	594	457	0	0	0	0	0	0	0	0	0	0	0	0	2629	1038	0	0	0	0	0	871	0	0	0	0	0	0	0	0	0	904	0	0	0	0	0	523	0	0	0	0	692	79987	0	0	0	0	0	0	0	0	0	0	50417	22849	813	8705	311	0	1465	0	0	0	0	0	0	0	0	676	0	0	0	0	Peptide	0.5	1.7857143	0.21428572
4	C14 H25 O7 N3 S1	380.1486	380.149	-0.3109576	380.14847	0	0	685	986	0	893	0	1075	0	0	0	2364	339	0	2819	1807	1290	0	0	0	0	0	0	737	0	1101	0	0	0	0	0	0	1561	0	0	1298	6234	1545	1091	0	0	0	0	0	0	0	0	0	2231	0	1483	1185	0	0	0	482	0	2282	0	0	0	0	0	0	0	0	0	12967	0	0	0	822	1076	436	0	485	0	1632	0	3791	0	0	0	0	0	205	0	0	0	663	7543	5341	0	787	0	0	0	1048	0	0	0	2457	41993	0	0	958	0	0	0	0	Peptide	0.5	1.7857143	0.21428572
0	C14 H25 O7 N3 S1	380.1486	380.14932	-0.30945757	380.14847	0	0	0	0	0	0	0	0	0	0	2079	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43902	1006	0	0	0	1444	0	0	0	0	0	0	0	0	2102	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	78380	0	0	0	0	0	0	0	0	0	0	77286	22021	0	10145	0	0	0	1989	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.7857143	0.21428572
22	C22 H21 O5 N1	380.14926	380.14957	-0.17868346	380.14917	5022	4383	3268	3188	2125	2479	2702	3264	2659	10511	20357	1528	0	0	1211	2933	3215	0	2287	7302	9664	8084	1931	5572	2025	45108	1322	20912	2110	0	1849	0	1234	1383	9722	1512	0	1586	2449	8684	27425	2797	0	0	0	8470	14764	0	3406	2740	2161	5927	3511	0	0	1951	1470	1772	1224	4224	1516	7155	0	2121	1967	0	2101	2388	44527	34398	62257	1648	0	0	1847	2005	0	1643	4516	12636	2207	11866	1274	10840	1383	1565	2037	3744	2708	5687	3421	4503	2799	9741	7882	0	4489	3757	4070	2113	0	2999	2169	4753	5525	2473	2850	0	3111	2051	Phytochemical	0.22727273	0.95454544	0.045454547
22	C19 H25 O5 N1 S1	380.15262	380.153	-0.085824735	380.1526	5753	6601	1774	6222	3552	1898	1080	1430	2153	11805	13680	0	2455	0	2013	1978	1798	4132	3560	16412	16833	11005	1971	2774	1876	16485	0	12134	0	0	0	0	0	3089	13351	0	3783	2132	2516	21295	20249	1432	0	0	0	8868	9722	0	1842	1992	5429	3113	2751	0	2256	1858	1226	2881	5565	6358	4791	12530	2260	0	0	2455	4281	0	13940	22775	22909	2102	0	0	2241	0	0	1552	2217	7449	0	4163	4793	14224	1696	3307	3496	1212	2701	5752	16874	20634	2236	12034	21436	0	6328	5859	2413	1853	2803	3371	1929	9336	8998	2754	2616	0	2391	3357	Organosulfur	0.2631579	1.3157895	0.05263158
4	C15 H25 O10 N1	380.15512	380.15576	-0.22227368	380.15503	21049	19011	22366	13500	11870	21274	12179	21587	4154	23289	18471	11579	27220	4093	14640	21192	23938	21556	17157	0	30738	28371	18237	21919	9567	10209	10115	0	4191	16869	16335	15530	6326	8083	35673	21349	22299	18346	29361	23691	35239	15357	0	0	0	23163	31851	0	9711	16460	16576	19581	13375	0	16091	16740	10001	20293	12834	20492	17613	19164	22052	19851	0	20109	10995	30510	12312	14421	20805	24428	7728	20146	2226	4587	0	14194	20866	0	14475	16446	11025	13260	12193	12502	15334	13542	16120	30620	24426	24859	44396	18165	34485	0	15795	24696	13870	15685	4971	19669	9892	24492	19872	17028	13704	0	13334	20944	Unclassified	0.6666667	1.6666666	0.06666667
14	C15 H25 O10 N1	380.15512	380.15558	-0.30311817	380.155	177422	195168	164610	219372	55863	57616	167058	83394	83591	197790	118032	46896	151003	32704	185018	199806	66027	158531	80687	204360	237048	300786	182425	527832	179892	117348	72741	43701	181305	181096	195642	105996	272142	188844	241635	175116	251682	130794	127584	256110	190698	102150	0	0	0	244968	75633	0	215640	199986	172698	179341	52535	0	111690	110416	88300	215982	103527	52485	97056	154164	72417	65678	69220	135960	57638	137112	55413	186270	148728	214062	157156	161844	115344	150640	0	66062	164976	0	140934	114462	131412	145032	48998	48624	163899	51702	152232	252456	253260	229986	342870	127362	201858	0	188526	191958	40469	80662	47078	235230	130362	134838	0	243276	106715	0	199548	89981	Unclassified	0.6666667	1.6666666	0.06666667
12	C15 H25 O10 N1	380.15512	380.15564	-0.26111457	380.15503	168663	286482	157521	139707	129164	139012	144264	333975	81117	303786	194994	170354	88563	43620	126883	142446	319485	109554	260633	367530	369714	420108	235326	278082	136848	117126	221472	61467	338364	233580	161088	318180	219154	311742	203610	167582	263786	127339	729492	181038	167337	174732	635	0	0	340362	113727	0	234696	309587	286710	165501	191047	0	136230	56646	68634	156945	151218	105204	161322	108837	188668	162544	89717	118909	165003	487140	54819	260406	243864	131430	273485	115521	352566	217512	0	104657	204816	115056	214255	96984	209874	92904	114897	66071	110379	208956	220043	148833	264348	161793	205177	98025	135171	0	155028	179577	68630	52703	56223	244284	103519	274266	99579	153081	55837	0	320184	134946	Unclassified	0.6666667	1.6666666	0.06666667
0	C15 H25 O10 N1	380.15512	380.15573	0.002376176	380.15512	0	2854	2801	0	1968	31860	0	3055	1473	0	0	0	2241	0	0	0	3477	0	0	0	1139	1899	1663	2557	0	0	0	0	6943	0	2616	7770	3593	41896	1558	9482	3905	0	3003	0	0	0	0	0	0	1828	0	0	9241	0	3209	2257	0	0	1342	0	0	0	459	839	1731	0	0	0	0	0	3393	0	0	0	0	12498	24212	2834	0	0	0	0	0	0	1271	0	0	0	0	0	1083	6093	0	3634	4400	0	3228	0	0	0	0	2743	801	0	0	2526	0	0	0	3793	1074	0	0	4701	Unclassified	0.6666667	1.6666666	0.06666667
8	C15 H25 O10 N1	380.15512	380.15558	-0.38082868	380.15497	98385	114743	79401	97272	45331	53158	65723	103228	57920	144237	80249	57632	69773	25338	77341	99726	92104	68855	91449	156066	164835	163338	89415	115082	58295	47688	71115	56031	86504	84447	69921	95877	119275	96512	169053	98935	104768	67578	108531	172182	143832	57073	0	0	0	137235	142539	0	111660	77970	98211	110400	47427	0	80615	45479	34861	89643	82026	84078	93714	80691	73765	64539	31486	68855	42567	120906	47460	88698	123699	106453	90635	84987	62462	74892	0	57112	79453	74718	63328	72960	69476	86655	54818	37973	63887	59731	57389	110337	83628	125052	138718	94461	136074	0	105744	107612	44006	56905	51824	103634	68566	119430	39432	81540	34220	0	57936	80901	Unclassified	0.6666667	1.6666666	0.06666667
16	C15 H25 O10 N1	380.15512	380.1556	-0.21750915	380.15503	0	2627	1864	5437	0	7454	1418	8565	13992	3650	0	4763	21514	3991	7496	5998	2347	11475	8447	0	0	0	8519	2270	0	3063	1484	3422	1453	0	1422	8918	1785	0	0	0	0	4847	1924	1184	1459	4935	0	399	391	0	0	0	0	6936	0	0	7622	0	26187	11738	4877	0	0	1739	0	0	15009	8162	3923	8880	4123	3359	3549	4274	5126	6186	6213	6296	7955	3037	0	5654	6378	0	1048	3467	0	0	8471	3271	0	5529	5456	0	4895	0	0	0	0	0	5147	0	4301	5517	5395	8280	5982	2406	0	0	8579	0	1809	19367	Unclassified	0.6666667	1.6666666	0.06666667
6	C15 H25 O10 N1	380.15512	380.15558	-0.35406545	380.155	61329	66825	52841	59568	35688	34774	38648	70407	48411	95544	52401	40192	55722	18818	39480	62550	59568	52241	58973	90777	113634	109273	9481	64085	35338	26274	37554	38172	48762	49537	57899	55582	63619	59398	136722	55632	64103	37404	79152	81036	98767	32021	0	0	0	65712	91443	0	64877	44144	59014	68671	35814	0	61840	35704	26231	58142	47406	54210	65307	52848	49311	42326	18662	50784	42191	94631	34860	54306	63237	48979	49082	44845	35574	37346	0	29651	49759	36891	37894	39936	33894	34233	38865	31707	48713	37307	37761	98303	70488	84204	107122	60549	96708	0	55969	63036	23604	40019	45224	74788	41472	82968	41217	53181	32420	0	36603	69175	Unclassified	0.6666667	1.6666666	0.06666667
24	C24 H22 O2 N1 Na1	380.1621	380.1626	0.30625537	380.1622	2257	0	1355	1660	0	0	0	0	0	0	0	2907	0	0	7170	10728	8747	0	0	0	0	0	0	0	3834	0	1065	0	2185	5209	0	2248	0	2575	0	5636	0	5158	8025	0	0	1471	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1425	0	0	4095	0	0	0	0	0	0	9261	0	0	0	2328	0	0	38356	2925	0	957	0	0	0	0	0	0	0	0	2736	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2173	0	0	1110	0	0	7340	0	Phytochemical	0.083333336	0.9166667	0.041666668
6	C19 H25 O7 N1	380.17038	380.17093	-0.20182958	380.1703	204108	214924	186826	209712	48454	53283	102032	225664	61352	409580	84570	111974	83607	26571	155442	106519	138482	76479	92272	371206	437684	309580	135506	231002	50852	74404	106734	73722	96333	174228	182132	211278	236796	176330	527070	93700	219996	66197	193442	122374	286974	49856	1156	349	503	108775	121859	432	236724	92502	204768	213876	106560	569	82403	40604	31890	203276	132702	162422	225410	90441	79382	60499	26204	71329	122972	210468	74023	133361	154241	90918	170804	90159	52071	163882	376	116676	110370	123930	109436	121276	117232	69885	46793	36381	130208	93774	113156	204600	206582	239006	250860	175542	282212	747	199474	197176	32657	41874	48885	226370	115930	282654	70598	181936	40737	409	103394	115265	Phytochemical	0.36842105	1.3157895	0.05263158
8	C19 H25 O7 N1	380.17038	380.1709	-0.18377335	380.17032	347076	364124	297112	178332	70376	68384	231198	378880	79947	578416	133328	148132	108357	38651	229868	184776	304922	95973	134513	658022	326500	439306	118034	365560	87761	120565	134373	119176	227063	462720	345170	234083	442322	293562	764448	200055	188879	110646	180173	462150	432936	89079	1826	450	841	182594	363172	455	329631	330862	159410	348426	72645	976	117879	57993	63396	166454	212786	279190	174463	133776	101231	105429	67302	99456	82677	337694	129985	187189	203543	154081	357844	138943	401612	466762	564	251460	235646	190606	107372	113720	250450	239888	69941	52782	114906	126082	220260	148361	133405	172127	381358	255364	366882	1187	173290	358758	60945	57991	58219	411104	129538	308482	86503	121325	57244	404	101692	119737	Phytochemical	0.36842105	1.3157895	0.05263158
28	C19 H25 O7 N1	380.17038	380.17075	-0.21458825	380.1703	6569	6526	4386	4247	6460	5300	3298	6446	3717	11557	5812	2394	13966	3541	5553	7815	5707	8509	6810	12150	12046	6144	7763	7566	2964	10260	2879	7250	7127	6493	4131	4304	6386	5581	9503	7016	7815	2469	5776	6127	6568	4657	0	0	0	5246	3512	0	5965	6273	3827	6596	5148	0	4974	7310	2896	5890	3635	2921	6274	3852	4605	4116	2123	7291	3811	5396	11065	17303	22044	6447	4445	6023	6213	4486	0	3046	3599	4245	3960	2919	3891	5271	6027	2389	5146	4810	5104	4782	7296	5847	7904	1906	4816	0	5697	6549	3790	6223	7164	7273	5268	5064	2836	5236	2765	0	2498	6993	Phytochemical	0.36842105	1.3157895	0.05263158
2	C15 H29 O6 N3 S1	380.185	380.18546	-0.25864273	380.18488	1217	1953	1632	1107	0	0	0	0	0	0	1645	0	0	0	639	0	0	0	0	0	0	0	361	0	0	0	0	33942	0	0	0	0	973	0	0	0	0	0	518	0	0	0	0	0	0	0	0	0	0	0	0	1911	0	0	0	0	0	0	0	0	0	0	0	0	0	652	0	0	0	0	0	0	0	0	0	0	0	0	0	260003	0	0	0	0	0	0	0	0	0	0	62007	17321	0	12694	0	0	1170	1111	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.9333333	0.2
20	C23 H25 O4 N1	380.18564	380.186	-0.21737294	380.18555	2452	3784	4372	2710	2037	0	0	0	0	2776	9141	2059	0	0	2075	2749	3811	0	0	9273	4112	2012	1249	2575	0	33933	1274	8733	0	0	1888	0	1991	1931	3951	1298	0	1249	3226	4372	11569	1803	0	0	0	1752	4476	0	2156	2251	3386	4101	0	0	0	0	0	4020	1175	3295	1761	2689	0	0	0	0	1344	2876	28893	16532	26990	2139	1774	0	1506	2317	0	0	4154	4938	1617	3513	0	0	0	0	4160	1967	1454	9498	5782	0	4583	4107	0	0	3611	2473	0	0	1543	2259	1444	2477	2697	2107	0	0	2396	0	Phytochemical	0.17391305	1.0869565	0.04347826
22	C23 H25 O4 N1	380.18564	380.18597	-0.19874112	380.18555	2563	4432	2822	3865	1611	3446	0	1506	0	6000	10416	1871	0	0	1267	3592	3654	0	1659	9410	6288	5243	1914	3318	3216	34149	2336	16321	1708	1447	2152	0	2092	2879	3723	2184	3103	2230	5755	8025	17117	2323	0	0	0	4971	6253	0	2016	3844	2763	2709	2640	0	0	0	1121	5432	3118	4646	5209	5155	0	0	0	2295	4111	6407	29726	19082	31892	1840	1609	1054	2100	1956	0	1247	2317	6494	1785	3006	2215	8880	0	1252	5842	3528	1799	11092	6927	4440	9430	3287	4434	0	2632	5339	1332	2373	0	3725	2660	6334	3969	3200	0	0	3266	0	Phytochemical	0.17391305	1.0869565	0.04347826
18	C16 H29 O9 N1	380.1915	380.19186	-0.28212592	380.1914	0	2086	0	1739	0	0	0	0	1146	0	0	0	1447	0	2956	1626	2878	1887	0	0	0	0	0	0	0	0	5032	114990	0	0	0	0	0	0	0	0	0	3225	3054	0	0	0	1449	531	633	0	1799	708	0	0	0	0	0	1422	2241	1345	0	0	0	3603	0	0	0	0	1698	0	0	0	0	0	0	0	0	3233	2848	0	992	0	0	0	0	0	0	0	3698	2599	7590	0	0	0	0	0	0	1820	0	806	1849	2496	0	0	0	2899	0	0	0	0	3061	1021	2009	0	Lipid	0.5625	1.8125	0.0625
0	C16 H29 O9 N1	380.1915	380.19214	-0.2620351	380.1914	5812	0	0	0	4388	0	0	7186	10264	0	0	0	10452	0	3878	0	5230	7430	4988	0	0	0	5934	4028	3740	0	0	790	8172	0	6696	0	13420	11320	2782	7150	7970	4494	6516	0	0	2862	0	0	0	0	0	0	7294	0	4414	0	4870	0	9182	5878	3040	6814	0	1336	0	0	5090	7104	2720	10268	4402	6366	0	0	0	14346	12920	0	0	0	0	5782	5862	0	0	1430	0	0	3312	0	16018	5092	6342	29488	0	0	9832	0	0	0	0	5152	4744	8448	9740	5918	5510	0	1994	0	14880	0	2952	32036	Lipid	0.5625	1.8125	0.0625
24	C20 H29 O6 N1	380.20676	380.20712	-0.17677464	380.2067	80067	77839	75605	79160	111353	66097	24289	65694	74938	123725	66637	51727	160316	63803	61760	81146	58678	114235	123804	148074	139719	82096	64204	93334	42130	124281	28427	64874	70775	68241	61355	73021	82497	81819	137141	70257	84325	40614	54906	106461	93484	57136	2523	0	0	74533	60070	0	71255	59914	80241	80443	77558	0	104755	102224	49363	83011	47090	43139	90712	69950	107470	81049	29680	122076	67994	54905	110797	168001	160691	89756	72682	60683	54323	63091	0	52136	65870	49887	52929	44144	44873	67165	92831	48838	69481	52911	57490	82600	81224	83518	87869	48751	92284	0	81149	94647	64910	117403	131719	89222	38454	89121	45478	72780	72355	0	48073	106698	Lipid	0.3	1.45	0.05
4	C20 H29 O6 N1	380.20676	380.20737	-0.22864243	380.20667	41743	45662	41316	42108	8737	13516	30473	75279	9685	43159	18752	34507	15326	14361	45145	63234	46968	13657	20070	56228	54130	71298	35394	70954	48028	20960	29135	18055	53950	49982	52850	53217	53488	48836	57237	59283	55580	32502	53426	48038	33610	16094	0	244	0	45012	39783	0	67227	63084	47102	37476	14178	0	14631	9001	9199	58219	14511	11497	61702	26331	11575	12964	8761	16289	17194	49101	17849	29761	28742	55476	48674	68837	43528	43889	0	41020	34960	28814	37102	18750	26202	28646	9568	11920	29571	14581	19975	45756	137052	117194	96101	37611	66433	0	42002	46384	8819	9791	11331	50028	34464	80510	25115	52512	9731	0	39982	11175	Lipid	0.3	1.45	0.05
28	C17 H33 O6 N1 S1	380.21014	380.21033	-0.22066927	380.21005	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2022	0	0	950	0	0	6531	1495	1453	3856	3211	0	0	1779	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5935	2787	33636	0	3291	0	0	882	0	1410	0	0	0	0	0	0	0	0	3226	9771	5972	2585	0	0	0	0	0	0	0	0	2796	0	0	0	886	0	0	0	0	Organosulfur	0.3529412	1.9411764	0.05882353
20	C17 H33 O6 N1 S1	380.21014	380.21045	-0.2844059	380.21002	263711	251239	254600	260387	100884	93390	128852	155525	116270	145936	105220	145346	131925	90891	121100	180204	131553	135797	186943	189583	186140	595413	88098	526992	122153	160767	119329	100888	161192	465793	180503	204606	418271	166212	162850	152809	302871	97055	147673	112528	95416	83888	3168	6675	391	115438	80169	578	154968	155465	254816	263488	105511	0	135706	107875	77230	173903	92231	69931	177080	72722	118546	113204	67810	124835	104565	146770	123049	210143	179390	642609	424054	1265435	150553	486315	4980	164056	870934	201584	814078	79779	135434	113891	110909	92020	264687	120744	121319	2375981	178254	158832	1385863	98644	127028	1407	249481	222452	77924	130028	124504	375255	157452	134340	69564	536568	97545	2298	106119	126331	Organosulfur	0.3529412	1.9411764	0.05882353
24	C17 H33 O6 N1 S1	380.21014	380.2103	-0.43595535	380.20996	0	0	1647	0	0	0	0	1835	0	0	0	1237	0	825	0	0	0	0	0	0	0	0	3570	3773	0	0	0	0	0	9545	0	4893	4833	5516	0	1563	2218	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8237	5529	47462	1737	4637	0	1730	1908	0	6377	0	866	0	0	0	1022	0	0	4847	0	1551	3377	0	0	0	0	1289	0	0	0	3396	1545	0	0	0	0	0	0	0	Organosulfur	0.3529412	1.9411764	0.05882353
26	C17 H33 O6 N1 S1	380.21014	380.2101	-0.33061776	380.21002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5709	0	0	1882	3938	0	0	1959	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7507	4014	38136	0	3496	0	0	0	0	0	0	0	0	0	0	0	0	0	5151	3443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.3529412	1.9411764	0.05882353
4	C19 H29 O5 N3	380.218	380.2186	-0.27109402	380.2179	5808	4717	6415	5333	2118	3147	2671	7421	1504	3821	2356	2775	1037	677	4897	7159	5227	1583	3800	3671	3766	7792	3957	5617	6808	970	3173	0	6753	3852	4729	4680	6739	4204	5540	5486	6257	3136	3860	6429	2464	2620	0	0	0	4669	3615	0	5955	6243	5131	4451	2086	0	1681	430	1331	6619	1457	550	5943	3103	1850	1536	0	944	1662	6168	0	2473	0	4854	4380	5749	3651	3342	0	3936	3912	35125	3528	1199	2041	2508	829	1201	4216	1551	2757	7967	50566	15350	13733	4147	4822	0	4330	5737	1087	560	666	5164	3360	7525	0	5803	903	0	4724	1675	Peptide	0.2631579	1.5263158	0.15789473
6	C19 H29 O5 N3	380.218	380.2185	-0.3185712	380.21786	18076	16464	15587	15357	2840	11348	4507	10229	3645	9103	5694	5345	2741	1768	7825	12384	7431	4963	5008	8315	7918	13629	6915	9525	10487	2538	5184	67250	11901	9009	7898	12859	16597	9560	12121	10638	12572	6132	7580	8182	4308	5473	0	0	0	7426	5697	0	13357	8726	19134	17061	5070	0	3401	608	1844	15995	1146	996	10815	2919	2793	2232	1166	2848	3676	8554	0	4562	3165	9260	7082	8231	7863	6432	0	6467	4202	299982	4487	2178	2506	4232	1711	2931	7774	4315	5296	14611	645319	309155	25424	29149	13541	0	17712	17682	1519	631	0	10665	5890	10198	7177	12624	2583	0	6299	3009	Peptide	0.2631579	1.5263158	0.15789473
12	C19 H29 O5 N3	380.218	380.21835	-0.314975	380.21786	13503	11734	12478	10269	2025	7215	6069	9499	1141	1802	5170	4246	0	1568	3842	9235	9858	1743	1927	3659	2480	4272	2547	5993	7528	1570	0	99228	9524	5234	11411	8029	13936	7747	3914	5237	7701	4996	7803	2122	0	5485	0	0	0	4698	0	0	9583	6452	12463	16630	1770	0	0	0	1245	6604	0	0	0	0	0	0	1089	1885	2775	11968	0	2652	2625	5525	7185	6612	6871	6308	0	3894	3126	335975	4351	892	910	2267	1135	0	5362	1875	3164	15821	729859	254802	9927	57750	7954	0	15183	12184	0	0	0	5965	5931	3912	0	11455	1656	0	5671	1554	Peptide	0.2631579	1.5263158	0.15789473
8	C19 H29 O5 N3	380.218	380.21848	-0.26630968	380.2179	21874	22975	18690	17261	3279	15122	4338	8973	3004	8923	8022	3966	3111	2564	7505	12209	6190	4575	4500	10764	5671	10749	6606	14365	9858	2442	5530	89313	12943	8761	11178	9865	13187	5639	10481	8399	14029	7290	5664	5677	4329	7500	0	0	0	8751	5641	0	12150	6396	16521	19197	4767	0	3101	1052	2057	11741	0	0	7964	2335	2450	1973	2401	3089	4433	9628	0	4919	5385	7798	5910	9078	5383	6564	0	7023	3875	513063	4460	1209	661	3038	1040	0	4372	4648	5025	13133	970807	586064	16808	37611	17818	0	19544	20370	2752	0	0	10156	4524	11003	0	9527	0	0	6745	1469	Peptide	0.2631579	1.5263158	0.15789473
10	C19 H29 O5 N3	380.218	380.21848	-0.19260329	380.21793	27741	23161	24337	21899	2318	20768	4225	8861	2014	5132	8252	3927	2400	3463	5156	14403	5813	3690	2716	6945	4452	8394	4607	12923	7976	2390	4691	127396	7172	5679	7392	12694	17194	7019	6386	6546	10875	6215	7275	6971	2863	6602	0	0	0	6234	4970	0	9590	5996	24747	22265	5025	0	3754	0	1606	12679	0	0	0	1356	2348	1716	1398	2254	3612	5305	0	9907	3463	4568	5047	6162	7748	9627	0	6230	3069	828444	4286	1176	0	2172	1577	2168	5849	6754	4829	14601	1280404	332232	18574	78704	18542	0	23960	21516	2413	813	1097	8215	6319	6665	0	9554	1384	0	4899	0	Peptide	0.2631579	1.5263158	0.15789473
4	C17 H33 O8 N1	380.2279	380.2286	-0.080130145	380.22787	2923	2547	2675	3242	26473	11081	640	1099	3425	0	0	0	9362	82577	614	0	0	4214	645	0	0	0	0	0	0	0	0	0	979	0	620	0	0	0	0	0	7246	0	0	0	0	13996	0	0	0	0	0	0	0	0	2513	3382	23931	0	7057	8888	27423	0	0	0	0	0	353	2907	2824	93028	0	0	0	0	0	1335	548	0	0	0	0	0	359	0	0	0	0	0	1110	3286	0	16668	0	0	0	0	0	0	0	0	2814	2195	2532	744	738	0	0	0	0	0	12778	0	0	1628	Lipid	0.47058824	1.9411764	0.05882353
26	C21 H33 O5 N1	380.24316	380.24356	-0.17375787	380.24307	23454	21474	21252	26284	35063	18378	11610	30079	24412	20870	15726	9551	33828	18194	25150	25748	18781	34514	48811	39865	39431	31806	11535	19450	33138	32500	12837	30224	26988	20365	32686	22943	33535	16187	30583	25806	33040	31430	15964	27698	26471	19321	0	0	0	25096	13973	0	26679	24814	24968	20347	28512	0	28892	23028	13402	34412	22442	9203	28328	17273	26698	21887	13026	24725	23653	16884	34398	40369	36456	18079	22760	31260	11919	23691	0	12699	23468	19285	10856	8648	19383	18686	20778	11302	38924	17471	18954	27767	37557	49063	32242	22125	27218	0	20822	28118	16088	23661	27855	38049	14914	27788	17455	19550	26547	0	29488	27423	Lipid	0.23809524	1.5714285	0.04761905
4	C21 H33 O5 N1	380.24316	380.2437	-0.22010693	380.24307	8437	6157	6245	6624	438	43979	7612	14930	385	4860	1774	7425	0	1171	6838	11922	14560	728	1710	6001	6671	7190	4857	9820	8682	1688	8869	0	10936	9142	10050	10799	12550	9115	6572	12430	11288	6821	18226	4542	4054	3657	0	0	0	6139	4934	0	11376	14660	7711	6835	1028	0	1043	596	993	11126	367	467	10924	2979	486	772	0	344	2629	13302	0	2110	0	8224	8150	15448	12682	9523	0	7946	6547	3811	5220	612	1946	2845	0	1107	7339	1890	3545	14522	10399	4604	12461	5951	8907	0	5406	9084	503	288	0	10919	6053	9502	0	8777	326	0	6718	276	Lipid	0.23809524	1.5714285	0.04761905
16	C21 H33 O5 N1	380.24316	380.24353	-0.27631754	380.24304	8383	9534	10140	8765	9728	19458	7855	9175	3180	7940	6947	9183	5357	2590	9221	19035	19011	4425	8007	10214	8001	7352	4196	12281	9034	8252	12632	5789	15459	10656	10024	13662	13949	8972	6847	12451	12623	7198	20307	9145	5214	7518	0	0	0	6529	6666	0	16129	10529	6359	7659	7535	0	4707	4460	3587	15062	0	6934	10088	3734	3099	3041	3178	3918	5872	20617	8095	9406	11497	7826	10101	14569	15765	12477	0	7129	8648	8495	4750	2728	5886	2761	4002	3160	10057	3956	4328	40716	24089	10740	0	7396	10633	0	7967	8573	4078	4706	6022	13464	5117	10137	0	13934	3811	0	9557	5236	Lipid	0.23809524	1.5714285	0.04761905
18	C21 H33 O5 N1	380.24316	380.24353	-0.20357795	380.24307	66294	85127	59075	54597	13267	19091	38975	294352	10326	46085	36166	50397	10714	14794	20723	153732	99792	14938	23007	43008	43468	25063	14491	38270	17496	34892	45583	36065	169411	226901	264556	183623	144773	130156	61635	102613	122725	22003	121102	22329	34734	26166	510	0	0	34199	49126	0	295234	330136	76622	66073	18552	0	10928	11833	14176	139756	23164	63920	104756	14424	11673	11881	10627	13068	18245	124850	22430	25664	37555	244020	86366	118001	192810	203938	0	42469	24714	24720	16273	33507	22957	17173	12905	13994	24916	27365	28184	63435	42601	30809	41226	15395	33285	0	58725	64081	10699	12869	15674	123646	40213	103158	29006	60519	9977	0	21391	6271	Lipid	0.23809524	1.5714285	0.04761905
14	C21 H33 O5 N1	380.24316	380.24356	-0.22389062	380.24307	21930	21519	16135	24109	3045	22417	26381	126309	0	10949	15473	142194	1430	2895	25875	111709	23917	3828	9022	16322	10121	6841	12359	24115	16620	6459	41750	10498	17115	51247	66142	23075	26733	11216	12280	24338	19259	30773	22979	11715	4043	7318	0	0	0	6555	4480	0	36401	115038	15498	16469	4730	0	3130	2603	3837	45091	0	0	71753	4047	0	3770	12540	2103	6435	25129	0	16394	10141	19431	13133	44552	24091	27665	0	169032	12245	0	15804	0	1507	4821	2533	0	14194	4064	11089	36887	29117	3564	18269	0	13499	0	17159	21510	1905	0	1983	23917	153488	15816	0	16067	0	0	15638	1783	Lipid	0.23809524	1.5714285	0.04761905
6	C21 H33 O5 N1	380.24316	380.24368	-0.26673037	380.24304	13414	15351	15094	13776	1639	58656	11635	29366	1407	15814	7252	18440	586	882	15498	27965	12917	2270	4786	18385	15228	16328	10715	22467	16375	3607	11442	5039	24707	27655	25031	27727	23464	18724	14372	24278	26877	13473	16566	10553	3792	7641	0	0	0	9053	8647	0	29278	26074	16371	13910	2452	0	1220	629	2104	25473	0	0	21041	5935	1432	1591	2388	1714	5528	34603	3140	9847	7526	21787	24004	34715	16722	19989	0	20472	7788	7388	7643	1638	1916	7798	1419	1824	15100	3396	5394	31655	28101	9631	33395	10625	18085	0	16435	14528	1052	586	648	24696	18602	18485	0	19567	1038	0	13396	1596	Lipid	0.23809524	1.5714285	0.04761905
28	C23 H34 O2 N1 Na1	380.256	380.25632	0.27650473	380.2561	1842	1347	1807	1280	1386	0	0	0	4623	0	0	0	0	2187	0	0	0	0	0	0	0	0	0	0	0	0	0	2240	0	0	0	0	0	0	0	0	0	0	0	0	0	14103	0	0	0	0	0	0	0	0	2962	2026	1873	0	0	0	44883	0	10620	0	0	5157	0	0	30160	0	8298	0	0	0	0	0	0	0	0	0	0	4002	0	0	0	0	0	0	22415	81226	0	8831	2870	0	2440	3372	0	3024	0	0	1254	0	2299	0	17909	0	0	0	0	0	58494	0	0	0	Lipid	0.08695652	1.4782609	0.04347826
22	C25 H33 O2 N1	380.2584	380.2587	-0.29260874	380.2583	2040	1438	0	1441	0	0	0	6645	0	0	0	6027	0	0	2291	4034	6485	0	0	0	0	0	1889	3909	2457	0	6006	0	12039	11962	4692	7656	11413	5589	0	14615	14083	1778	3531	0	0	12450	0	0	0	0	0	0	4149	9777	0	1370	0	0	0	0	2671	1520	0	0	1804	0	0	0	2310	0	3281	11820	0	0	0	3336	5110	7949	10924	8516	0	5285	0	0	0	0	0	0	0	0	0	2671	1835	1347	0	0	0	0	0	0	2481	0	0	0	0	24530	5404	0	0	0	0	0	0	0	Lipid	0.08	1.32	0.04
24	C18 H37 O7 N1	380.26428	380.26474	-0.184422	380.26422	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48708	0	0	33668	0	0	4920	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6275	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	151863	0	0	0	0	0	Lipid	0.3888889	2.0555556	0.055555556
24	C22 H37 O4 N1	380.27954	380.27988	-0.23441564	380.27945	5075	8582	8112	5521	3533	3148	10737	11449	2332	5151	8584	8616	2549	4202	5429	22024	36554	2862	5560	6881	3999	4258	5191	11378	7283	9265	14128	9807	9406	13895	11062	12040	10994	12826	5646	14357	11321	7289	31573	6979	12527	4292	0	0	0	3335	9144	0	10044	13267	9906	7686	6035	0	3647	2197	4071	19816	2291	9860	17695	2752	1278	3255	3754	4719	8947	28872	7537	5574	8566	5427	10233	10911	21955	15512	0	5402	10511	11310	6087	4700	5295	10499	5896	6908	19559	9039	8524	45593	18119	8490	15329	5208	6232	0	9778	10795	2021	2280	4210	20729	6437	12790	5075	13395	5218	0	17720	3179	Lipid	0.18181819	1.6818181	0.045454547
12	C22 H37 O4 N1	380.27954	380.27994	-0.14659633	380.27948	1361	0	0	0	0	0	0	3399	0	0	0	1641	0	0	1414	3739	0	0	0	1993	1846	0	0	0	3178	0	0	0	3879	3365	4909	1460	3432	2147	0	4415	1466	2056	0	0	0	0	0	0	0	0	0	0	4955	2469	1283	0	0	0	0	0	0	3797	0	0	0	0	0	0	0	0	0	0	0	0	0	3452	2164	2967	1445	2555	0	3073	0	0	0	0	0	0	0	0	24523	0	0	56493	6018	0	4189	0	1184	0	0	0	0	0	0	1820	1619	0	0	1889	0	0	0	0	Lipid	0.18181819	1.6818181	0.045454547
16	C22 H37 O4 N1	380.27954	380.27982	-0.18766342	380.27945	11985	14588	14522	12145	0	0	3656	17287	0	0	0	13371	0	0	10454	16999	12823	0	0	0	0	0	13394	0	6101	0	12516	0	33894	27887	16451	37486	17252	44856	0	36443	18913	17178	1872	0	0	2395	0	0	0	0	0	0	54096	3543	11559	12404	1360	0	0	0	2238	22693	0	0	20741	0	0	0	4325	0	3344	65063	0	2290	0	13479	26842	10447	58486	39169	0	13695	7815	5325	5806	0	0	0	0	0	76007	28009	7353	473829	9086	0	0	0	0	0	7379	14725	0	0	0	25405	15447	0	0	48969	0	0	6683	0	Lipid	0.18181819	1.6818181	0.045454547
26	C22 H37 O4 N1	380.27954	380.27988	-0.20576602	380.27945	7040	10332	8688	9338	3263	4648	9493	9281	2927	4373	14341	6367	0	0	6696	14731	14411	0	4902	6303	5973	4883	5774	7130	13502	19526	9109	20432	11708	18472	7954	12638	13371	7666	7262	18466	8982	6093	17242	6217	10866	25629	0	0	0	0	6596	0	10867	12534	7665	6373	6198	0	31312	0	4357	16293	5563	5789	13136	6628	3533	12088	3453	4638	10260	14062	12707	8935	8071	3972	7401	11785	8907	11750	0	3353	11906	15232	3724	7177	7624	7933	9052	0	25914	6097	5981	23731	20348	20746	8600	7726	5500	0	8954	7574	6788	2347	0	22694	4244	8992	7431	10631	6869	0	12878	2090	Lipid	0.18181819	1.6818181	0.045454547
14	C22 H37 O4 N1	380.27954	380.27994	-0.22422533	380.27945	1725	0	0	0	0	0	1996	12826	0	0	0	4792	0	0	9733	17457	2944	0	0	0	0	0	1082	0	22791	0	2384	0	18017	8031	4804	0	2829	10049	0	15703	1912	3206	0	0	0	0	0	0	0	0	0	0	7561	22153	0	0	0	0	0	0	0	7971	0	0	0	0	0	0	0	0	0	8908	0	0	0	3836	4495	10965	11486	6328	0	3732	0	0	0	0	0	0	0	0	8784	3060	0	13449	5284	0	3548	0	0	0	2429	0	0	0	0	5793	4204	0	0	6743	0	0	0	0	Lipid	0.18181819	1.6818181	0.045454547
22	C22 H37 O4 N1	380.27954	380.27985	-0.18045558	380.27948	0	1917	0	3296	2876	0	2562	3007	0	0	1446	1498	0	0	0	6308	7074	0	0	0	0	2496	0	2176	3029	1773	4451	3136	1566	3069	0	0	4628	1825	0	3462	4556	2027	7120	0	0	1367	0	0	0	0	1131	0	3257	4010	2248	0	0	0	0	0	0	5948	0	2032	6428	0	0	0	0	1418	1490	6771	1711	0	0	2410	3059	3006	6375	2520	0	1478	2281	2009	1086	1047	1448	1300	1784	1182	6131	1272	1041	29375	5883	0	3508	0	3085	0	1674	1638	1640	6020	6228	3957	1138	2028	0	3364	1382	0	2972	0	Lipid	0.18181819	1.6818181	0.045454547
26	C19 H41 O6 N1	380.30066	380.30115	-0.4253475	380.3005	0	0	0	0	8140	0	0	0	0	1698	3619	0	0	3383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34064	0	0	13202	0	0	19508	1470	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45073	0	10158	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	202689	0	0	0	0	0	Lipid	0.31578946	2.1578948	0.05263158
16	C23 H41 O3 N1	380.31592	380.3154	-0.4262044	380.31577	0	0	0	0	0	0	1526	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1428	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1219	0	0	0	0	0	0	0	0	20499	0	0	192265	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1085	0	Lipid	0.13043478	1.7826087	0.04347826
14	C23 H41 O3 N1	380.31592	380.31622	-0.07749898	380.3159	0	0	2018	3005	0	0	4532	18688	0	0	1926	22296	0	0	5963	29934	0	0	0	0	0	0	0	0	4928	0	8521	0	0	13609	7908	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1766	38515	0	1648	0	0	0	0	0	4918	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1203	35537	0	5326	0	3926	0	0	0	0	0	0	0	0	8627	0	0	50827	0	0	3451	0	0	0	0	1848	0	0	0	0	15249	0	0	0	0	0	1372	0	Lipid	0.13043478	1.7826087	0.04347826
18	C16 H12 O11	381.04523	381.0457	0.026520265	381.04526	4636	2971	3318	2592	18354	8031	0	0	15177	0	0	1833	31298	13714	0	0	0	14885	12093	0	0	5133	3711	0	0	2020	0	0	0	0	0	0	0	0	3051	0	0	2992	0	0	0	2677	1037	0	376	0	2059	974	0	0	2059	3755	10240	0	17056	22400	8649	0	0	1414	0	1313	44879	23559	4568	29178	3014	0	1676	0	0	0	0	0	0	0	345	1422	4206	2816	3545	1367	0	0	30633	7662	2074	5502	5452	1898	0	0	0	6793	4123	0	5063	2702	11019	23374	23362	0	1750	0	1924	2012	14430	0	0	37912	Phytochemical	0.6875	0.75	0.0
12	C16 H12 O11	381.04523	381.0456	-0.25278005	381.04514	5568	3366	5469	5181	23738	4753	0	5242	24993	0	0	4082	33202	6277	2575	3025	3888	14884	20731	0	0	6875	5833	0	0	0	1356	0	1669	1402	1912	0	3184	1768	2151	2431	2540	3719	0	0	0	5678	0	0	0	0	0	382	2077	4151	3937	6400	9697	0	16570	25153	6925	1482	0	0	0	0	45635	28696	6168	27898	6103	9227	0	0	0	2079	1939	1583	2019	1913	0	2539	4795	0	5059	788	0	0	22577	5175	5854	8971	8468	4061	0	0	3306	4660	2086	0	5577	4372	27836	32251	28042	0	2910	0	0	3818	14140	0	1990	56909	Phytochemical	0.6875	0.75	0.0
10	C16 H12 O11	381.04523	381.04587	0.007133206	381.04523	1676	2332	1248	2608	13153	1525	0	0	15984	0	0	1513	21932	3160	1056	0	0	5833	6474	0	0	1897	2757	0	0	0	0	0	0	1006	0	0	0	0	0	0	0	0	0	0	0	1815	0	0	0	0	0	0	0	0	1363	2349	5940	0	9224	14270	4582	0	0	0	0	0	25848	13906	3018	12252	3445	0	0	0	0	0	0	0	0	0	0	0	1425	0	1252	0	0	0	14819	997	0	2989	3745	1516	0	0	0	3747	1403	0	2559	2418	10562	20461	14264	0	870	0	0	0	7982	0	0	25145	Phytochemical	0.6875	0.75	0.0
14	C16 H12 O11	381.04523	381.04562	-0.32408607	381.0451	7525	5614	6544	7193	34208	9935	0	3098	32525	0	0	5620	56486	10792	2703	3219	3102	20415	18859	0	2758	5857	6569	3615	0	0	1159	0	0	0	1853	0	2313	0	2032	0	3197	3208	2989	0	0	7580	0	0	0	2284	4622	430	0	3711	6896	5171	16039	0	23638	26828	14535	2793	0	0	0	0	70267	36708	9859	38179	8652	3825	0	0	0	1871	1190	0	2081	0	0	3295	9430	0	7064	0	0	0	36555	6394	5273	10678	11039	9118	0	0	3615	11779	0	0	9346	3309	20521	47583	42977	2058	3937	0	0	5812	26557	0	6069	51833	Phytochemical	0.6875	0.75	0.0
20	C16 H12 O11	381.04523	381.04562	-0.12254964	381.0452	3551	0	1896	4239	11958	7806	0	0	14179	0	0	1036	24547	9123	2079	0	0	14832	8895	0	0	3431	4457	0	0	0	1584	0	0	0	0	0	0	0	0	0	0	1807	0	2001	2780	1058	487	0	390	0	1746	1945	0	0	2869	2957	9504	0	9040	15140	5194	0	0	1542	0	2308	29690	12802	2727	22490	2474	0	0	0	0	0	0	0	0	0	478	0	4807	3776	2218	0	0	0	23402	6882	1619	4144	3044	1941	0	2474	0	3167	3555	0	2144	2635	7132	18529	15048	0	1176	0	0	0	11013	0	0	34117	Phytochemical	0.6875	0.75	0.0
22	C16 H12 O11	381.04523	381.04575	0.013166464	381.04526	2911	1993	1329	2278	10792	6179	0	0	8079	0	0	1482	17473	7461	0	0	0	12155	6474	0	0	4226	1891	0	0	0	1993	0	0	0	0	0	1270	0	0	0	0	1191	0	1572	0	1640	0	0	452	0	1524	0	0	0	2157	0	5150	0	10961	9184	3839	0	0	0	0	0	21942	12951	2975	11154	0	0	0	0	1854	0	0	0	0	0	370	0	2647	2824	3506	0	0	0	19756	4402	2303	2586	2662	2522	0	0	0	2251	2481	0	2038	1954	3665	12133	13023	0	0	0	0	0	8887	0	0	21606	Phytochemical	0.6875	0.75	0.0
16	C16 H12 O11	381.04523	381.04565	-0.352824	381.0451	6420	5654	5080	10014	27622	10098	0	6451	29752	0	2416	4902	40959	12906	5121	0	1546	16742	17935	0	0	6910	7965	5379	7068	0	1915	0	0	1457	3766	0	2436	1638	0	0	2432	2107	0	0	3326	5452	563	0	269	1071	2758	1002	0	6108	4838	4437	15189	0	19387	27418	10111	2230	0	0	0	1344	50907	33134	10703	30828	8932	1535	0	0	0	5884	1232	2510	1560	1876	0	3145	7630	0	5604	1462	0	0	30003	4399	3966	8021	8410	0	0	0	0	5874	1637	0	2795	3996	16338	40616	30243	2754	2700	0	0	0	17405	0	0	48396	Phytochemical	0.6875	0.75	0.0
20	C22 H13 O3 S1 Na1	381.05557	381.0562	0.30763015	381.0557	1799	1815	2311	0	1371	2055	0	6310	0	0	0	13813	0	0	7654	4541	0	11552	4169	0	0	0	57606	19662	0	0	0	0	13083	4140	8585	10666	16804	6403	0	4811	17944	0	0	0	0	8699	0	0	0	0	0	0	12775	2929	3208	2969	3252	0	0	0	0	25165	0	0	19852	0	3921	2179	0	0	4928	0	0	0	0	3863	5079	1951	0	3456	0	10270	0	0	0	0	0	0	0	0	0	16027	13634	0	0	0	9088	0	0	0	2120	3273	0	0	0	17763	7079	0	0	24517	0	0	0	0	Organosulfur	0.13636364	0.59090906	0.0
22	C20 H12 O8	381.0605	381.0609	-0.08728498	381.06046	3910	4133	5068	3334	10860	3637	2194	2166	11840	9855	5006	2454	6276	5928	3041	3273	3910	8407	7552	6018	9383	17317	6950	3597	4078	7173	2510	2861	2048	2497	1780	0	3937	0	11694	1439	2976	4967	3236	2309	6776	4875	0	0	0	5805	9155	0	3039	3710	2488	4563	11575	0	4846	7476	4526	4479	2530	2480	2289	7072	13975	6730	3712	13075	7822	1522	7824	4801	8988	0	979	0	1974	1784	0	2958	11968	11341	9383	5999	1676	7591	15179	9368	10591	6212	8922	4602	4075	5492	3729	23546	15316	0	4767	8091	10378	12364	12567	2618	2605	5302	3776	2144	7538	0	4474	9592	Phytochemical	0.4	0.6	0.0
18	C20 H12 O8	381.0605	381.06094	-0.043365564	381.0605	8292	10376	5450	5164	9823	4361	3261	0	11370	22225	11208	2281	13238	6706	2879	2003	4148	17859	13067	10420	13082	24628	4074	3130	3501	10770	3121	5020	0	2246	1645	0	2404	0	27340	0	4873	4398	1985	5555	13881	4347	549	0	0	9512	11421	0	3842	0	7355	11543	9890	256	11658	10764	8384	5587	3673	3722	1951	5893	22839	9450	7594	12476	7276	3593	9210	8464	14610	1298	0	0	1916	0	0	1320	9562	17524	7620	8492	3063	4212	13234	8178	8381	8031	8485	7739	6695	7636	7991	24995	30646	0	5710	4975	12617	11261	9218	3049	2005	3288	5825	3335	5884	0	5525	10324	Phytochemical	0.4	0.6	0.0
20	C20 H12 O8	381.0605	381.0609	-0.0695684	381.06046	7605	8557	8297	6808	13342	5277	3117	0	14648	19532	10897	2436	17295	8344	2539	4282	5126	18171	19400	8199	10015	20956	3587	1945	4165	11031	1444	4324	3662	2335	2013	1956	3965	1915	26535	2064	5993	3161	6080	8324	10265	7253	825	0	0	3605	7274	0	2694	0	7870	8086	10160	0	8628	7027	8616	4785	3525	6174	4810	7822	16784	10127	6254	16614	8202	2685	6302	5113	11960	0	0	0	3809	2399	0	3229	10544	14918	11649	6597	3924	0	12794	10173	11366	10293	7911	7909	4424	5741	7008	30926	23373	0	9912	8244	10351	12517	12674	7324	2810	2167	9007	4734	8624	0	5113	17647	Phytochemical	0.4	0.6	0.0
16	C20 H12 O8	381.0605	381.06104	0.02445919	381.06052	5639	5891	3838	6072	4665	2855	1526	0	5757	11514	9236	0	8187	2726	1741	2581	0	8086	8938	6342	5297	14954	2444	0	0	3936	0	5460	0	0	0	0	2034	0	20744	0	0	2095	0	4071	5301	1848	0	0	0	2008	3159	0	0	0	5333	3479	7083	0	7116	6494	2144	3000	1351	1332	0	3018	9049	7111	3684	4684	3215	0	6462	6451	7438	0	0	0	0	0	0	0	5467	11936	4493	4853	1495	2858	5564	3322	3328	3713	3841	0	0	4687	0	23584	21823	0	3291	4412	8442	11139	5567	2828	0	1585	0	0	7281	0	0	9447	Phytochemical	0.4	0.6	0.0
20	C17 H16 O8 S1	381.06387	381.0643	-0.014707145	381.06387	7666	3847	5644	5919	7513	7169	1846	0	10118	15290	8912	0	14222	3911	0	0	1540	18017	4554	7018	8491	22780	0	2120	0	5447	1563	4353	0	0	0	0	0	0	21228	0	0	2171	0	13492	8044	2112	0	0	0	4237	4113	0	1846	1827	3853	2970	4055	0	7962	5346	0	3276	2261	3036	1793	8420	4055	8731	3036	10267	4059	0	9523	12454	7490	1888	0	0	0	0	0	1040	2239	11760	2540	3296	3207	0	4715	3903	2177	4501	2565	3058	8912	8334	4494	19256	21569	0	4996	6673	5003	6307	4930	0	955	3113	5412	3325	7696	0	1618	15061	Organosulfur	0.47058824	0.9411765	0.0
18	C17 H16 O8 S1	381.06387	381.06433	-0.030682515	381.06384	11955	10680	10632	6614	12287	8760	2285	0	12417	30643	15883	0	21492	5178	0	0	1852	16156	6848	16868	11809	37303	1119	2100	1874	17340	0	12033	0	0	1516	0	1726	0	34421	0	0	2084	1377	20515	16699	2816	617	0	0	6116	6497	0	1788	0	8622	7433	7478	0	10648	9634	4634	3688	4769	2574	1885	16400	5728	12287	2007	11999	5616	2931	18901	25980	22256	0	0	0	0	0	0	0	3114	19685	2779	6809	3449	10515	9176	6575	4720	4866	5473	2228	17789	18410	4928	38909	46327	0	6752	7344	10374	6333	7002	4060	0	2870	4584	2048	7710	0	1754	18010	Organosulfur	0.47058824	0.9411765	0.0
10	C21 H16 O5 S1	381.07913	381.0797	0.11651058	381.07916	1810	3032	2245	3385	3139	1425	1930	0	3910	2862	4230	900	2887	1815	1372	0	1021	4118	0	3696	2165	0	1538	0	0	0	1589	0	0	0	0	0	1241	0	2732	0	1350	1232	0	1619	3003	1788	0	0	0	0	0	0	0	0	1099	1696	4264	0	3282	4906	2632	0	0	0	0	4557	4982	6269	2720	3472	1547	0	0	0	0	0	0	0	29551	1570	0	1351	1983	0	0	1743	0	0	3766	2152	0	2195	2887	0	0	0	0	4636	0	0	2402	0	3705	4365	2664	0	1275	0	0	0	5231	0	0	3981	Organosulfur	0.23809524	0.7619048	0.0
8	C21 H16 O5 S1	381.07913	381.07965	-0.018614423	381.0791	0	1079	1978	1915	1807	1130	0	0	2859	2981	2144	1065	1706	0	0	0	0	1148	0	0	0	1124	0	0	0	0	0	0	0	0	0	0	0	772	2235	0	989	741	841	0	1566	1379	0	0	0	0	0	0	0	0	0	0	2280	0	1899	2203	2359	0	1588	1806	0	0	3036	5119	0	2626	1647	0	0	0	0	762	0	0	35503	0	0	0	0	0	694	695	0	0	1740	0	1744	1615	1727	0	0	0	0	2176	2019	0	1480	923	3789	3234	0	0	0	0	0	0	0	0	0	2373	Organosulfur	0.23809524	0.7619048	0.0
0	C21 H16 O5 S1	381.07913	381.07977	0.6789904	381.07938	0	0	0	1841	2333	0	0	0	0	0	28390	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10778	0	0	1373	0	0	0	0	0	0	0	0	0	0	0	1715	0	1591	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9950	3942	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6072	0	0	0	0	0	0	0	0	0	0	0	0	1282	0	0	0	0	0	0	0	0	0	Organosulfur	0.23809524	0.7619048	0.0
20	C17 H16 O10	381.08163	381.08203	-0.09190451	381.08157	25835	19591	25366	22051	50843	43854	5653	7510	59653	24290	11569	10325	97785	32176	18527	10742	6161	71569	53776	13048	21326	38266	19028	8101	7500	4408	7806	5634	5589	5382	8214	8018	12590	8528	16036	5207	13979	16181	5502	14614	15635	14648	2896	658	863	19221	26505	1863	7667	6067	31011	24177	37104	558	68919	54462	23200	10037	12123	5338	7155	15454	100013	59741	19051	60896	17200	5787	12064	8098	8803	8139	5713	4177	5453	7033	1392	11127	24850	23091	22251	21134	5543	0	70804	26200	14109	18489	22690	4492	9578	16648	17259	28050	22443	857	27090	22479	40390	51956	46775	12079	11890	9081	17182	10523	34768	1310	9763	107053	Phytochemical	0.5882353	0.9411765	0.0
22	C17 H16 O10	381.08163	381.08212	0.14432755	381.08167	13095	13204	8254	9930	27302	13645	1482	2037	27471	10013	5802	5792	41958	11306	5370	0	1467	32542	21532	2771	7929	18261	6654	2452	0	3217	1628	3764	1579	0	3685	0	2570	2202	10510	1262	5698	4750	2138	9022	7646	3724	0	0	1186	11232	17252	0	4338	1917	9355	10891	16483	785	37436	26630	10870	2181	4157	3176	1246	6741	54096	30838	6006	34012	5893	2940	7325	8352	10586	1903	1681	1990	0	3106	1182	3669	10225	8435	9776	10025	2013	3181	27650	18673	8338	5228	6606	2130	6505	5970	2317	12696	17275	0	9249	7558	17329	29455	21849	5226	3665	3294	11763	1687	17568	0	3556	46962	Phytochemical	0.5882353	0.9411765	0.0
16	C17 H16 O10	381.08163	381.0821	-0.07883085	381.0816	107200	108602	98538	99313	183803	138065	31896	47536	223897	116562	80136	55817	362278	95464	67079	47346	32197	291816	235680	89743	123215	144952	86224	49107	25904	16987	30249	35892	29370	25180	36119	39283	80609	33743	152412	29975	76177	50307	39622	68028	79117	73126	3947	635	1027	65298	111288	2127	35681	36722	102058	104473	138935	827	252107	173705	87188	53980	53587	40456	53427	72434	364648	206975	63915	232047	98245	39878	51256	46713	64283	44931	30891	24284	34368	28513	791	50386	91517	75207	71375	77709	24268	20979	196401	85234	80007	75448	91313	34310	31136	58476	65595	120659	105352	1578	101498	91960	147723	177554	166552	60334	44958	44658	68739	52572	141544	1099	28985	395553	Phytochemical	0.5882353	0.9411765	0.0
12	C17 H16 O10	381.08163	381.08215	-0.05545479	381.0816	154875	159233	148955	156334	224364	129064	46203	56908	316713	210061	193864	69022	377741	83164	66378	72657	67402	294518	287982	163297	228711	295056	106794	75424	19823	24608	49601	76518	45163	38832	44979	50525	91359	47862	275538	39795	89927	75155	60646	119095	207417	97124	4894	542	587	95095	193360	984	59393	52113	150919	150508	158660	677	318392	230117	108184	72435	75245	80692	86048	137298	527322	313990	88618	274328	118111	74040	110823	58482	139319	48076	42649	38880	57898	45559	338	65737	122731	130171	103993	82442	30464	36906	228070	103640	101042	104382	107373	87363	46200	91397	89579	240587	198153	756	162966	146404	246731	243558	224617	94572	63722	59325	113801	76363	196385	0	40229	485762	Phytochemical	0.5882353	0.9411765	0.0
18	C17 H16 O10	381.08163	381.08203	-0.105169505	381.08157	64493	58184	53429	51870	115340	83547	18299	24688	118895	53393	33242	22881	239110	64808	46200	28793	15313	169918	124575	41669	51642	72887	52194	34568	23120	9286	17656	20289	19646	16754	20451	19038	36741	22412	69509	13126	50311	33929	12435	35257	39126	37449	3898	702	740	40377	55391	1921	24129	15194	66648	57972	80164	891	142411	102690	52313	34272	30010	16618	22863	40159	194800	119667	44295	140079	61237	20674	28106	24860	35156	21761	14223	12858	9650	16777	935	29493	52997	41262	44719	48320	13800	13541	113428	62434	47827	40683	53281	21161	21256	31597	38985	67551	55544	1100	61986	51319	84402	95984	76180	31569	26249	21227	33672	31072	78498	1206	21315	201784	Phytochemical	0.5882353	0.9411765	0.0
6	C17 H16 O10	381.08163	381.0822	-0.12070358	381.08157	15593	17308	12236	14528	27426	13920	3740	5727	38422	27756	23444	8611	51878	9332	5682	9740	8035	37022	34324	13967	30750	20054	12571	9329	1071	3160	4165	4524	3664	3394	6349	4231	7880	3605	27908	2856	7294	8962	8553	7991	16085	13338	0	0	0	6296	11735	0	5024	6617	16471	16672	22006	0	36051	39210	16651	8932	4874	8012	7016	7479	63407	35264	14751	38972	18257	8642	9736	9070	17607	3955	4062	2579	26714	5889	0	4629	16345	4257	11935	5455	2520	2593	45774	14139	13668	17662	12602	12847	0	6494	10216	19667	14355	0	14422	16438	30469	58635	56468	7726	6910	7945	0	8639	34469	0	3782	63958	Phytochemical	0.5882353	0.9411765	0.0
26	C17 H16 O10	381.08163	381.08203	-0.07502717	381.0816	2747	3441	3720	4991	7922	6328	0	0	12085	4957	0	0	15509	6119	0	0	0	12713	9707	0	0	6002	0	0	0	0	0	0	0	0	0	0	0	0	6538	0	0	0	0	0	3490	0	0	0	0	0	0	0	0	0	6346	3468	6698	0	16288	6354	3903	0	0	0	0	0	17024	11920	0	10410	0	0	0	0	2464	0	0	0	0	0	0	0	2856	0	3482	3538	0	0	11261	6444	2997	0	2861	0	0	0	0	5172	6489	0	3409	0	6769	7088	7481	0	0	0	0	0	6356	0	0	22978	Phytochemical	0.5882353	0.9411765	0.0
24	C17 H16 O10	381.08163	381.08206	0.12164892	381.08167	5243	5219	5384	4947	14645	8975	1413	1680	13651	8561	2712	1095	31987	7269	2996	0	0	24185	12813	2961	3130	7982	6906	2648	2041	2602	1633	2428	0	0	1845	0	1693	1471	5520	1385	1532	1078	1298	2590	4846	1700	0	0	0	3009	7558	0	1649	2095	4302	5519	9495	0	23696	15231	3929	1654	1813	2166	1508	5069	33618	16674	2553	16477	3199	0	3579	3730	5190	0	1080	0	0	0	0	1681	6509	4597	5558	4839	0	2480	19821	7692	3067	2702	4773	0	2833	2222	3055	7543	8797	0	4481	4866	10001	11949	15755	1700	2648	1500	6309	2138	9960	0	1898	35127	Phytochemical	0.5882353	0.9411765	0.0
8	C17 H16 O10	381.08163	381.08215	-0.117226556	381.08157	56229	53643	46998	53421	82245	33584	14093	20931	110199	86308	86062	28484	141362	28596	21941	34086	29066	82058	93030	57296	95259	84717	40162	25978	5768	8450	15173	26930	14044	15223	15701	16390	27019	15037	107534	15401	25193	24219	32623	36434	74513	38762	1140	0	0	28070	53600	520	18605	16276	53008	59902	54462	0	105264	97709	45122	27115	19480	30200	31441	35370	183228	116660	43613	102566	43463	34363	36250	22346	63388	19893	15553	11845	18562	14174	0	18015	48921	30686	35240	21441	8742	10576	114027	36842	39411	45745	44171	43150	10898	24277	28755	93512	79025	346	56250	53495	108620	149478	123283	25694	23827	25459	22133	26660	94067	0	10873	148107	Phytochemical	0.5882353	0.9411765	0.0
14	C17 H16 O10	381.08163	381.08212	-0.060691718	381.0816	147102	141362	129921	144100	240640	149102	47729	58786	309269	200830	152422	75186	485251	116716	81217	68579	53737	325791	268596	154573	188801	251128	119867	61464	34001	25815	43846	57171	44562	41866	48139	52080	99420	46676	256352	47238	81973	83282	51490	112058	161587	106097	5494	717	930	98237	174418	1311	56721	49768	132105	133347	172329	778	359089	223744	114886	73585	88375	67744	61733	126993	495451	322060	95978	305326	125451	57506	99505	64754	113883	52426	50361	40271	40629	47679	757	63624	121902	128458	95783	92610	26216	35452	236308	112510	102877	116679	129339	74409	47461	84152	97782	233400	163696	1526	133514	130170	193142	256193	231678	91414	72436	72329	143192	80337	178449	833	38385	456126	Phytochemical	0.5882353	0.9411765	0.0
10	C16 H16 O9 N2	381.09286	381.09338	-0.082372144	381.09283	39409	36533	36240	35292	44451	24838	12633	21577	52328	35708	37584	27845	82121	12726	16598	21673	34733	56582	60313	30540	57836	66552	29023	23889	7157	3078	15542	9396	16354	17010	14250	16656	35546	18836	59596	14774	26757	20732	32028	39452	74444	31118	0	0	0	26198	54014	0	20618	14382	37487	35325	31949	0	67397	41951	22152	21883	23976	32792	42786	41120	93763	65682	21677	59181	30197	37766	24472	7596	23518	19603	15950	11645	21722	15702	0	18827	27441	23093	23726	22197	9991	8627	46325	19755	23739	33856	31531	47939	7044	24734	51433	54621	40792	0	37327	33910	33381	43296	41650	31145	25860	17613	30419	36197	30420	0	12391	99680	Phytochemical	0.5625	1.0	0.125
18	C16 H16 O9 N2	381.09286	381.09338	0.06640929	381.0929	11406	9456	5384	6908	11114	5106	2434	4138	7392	11876	6844	7672	22606	6308	4516	6778	5558	18710	9996	5078	5080	17522	9772	11108	5274	1726	2764	0	0	5286	0	0	13352	0	5100	0	9770	7290	4680	7522	15250	7920	0	0	0	4934	15076	0	3268	4624	8062	7752	11780	0	17814	12212	5060	9488	4006	4856	0	10766	21858	9978	0	15774	10926	10554	3937	0	0	4324	2906	2666	4206	0	0	3036	10666	8228	9468	7094	0	3740	12404	3878	9534	9032	10260	17074	0	8564	11438	16090	11730	0	10004	6314	10250	12296	14610	9076	3536	3286	4280	15592	5766	0	4502	29028	Phytochemical	0.5625	1.0	0.125
14	C16 H16 O9 N2	381.09286	381.09335	-0.0590858	381.09283	18573	21615	21927	26926	30564	24689	10139	12827	34306	25711	21857	18681	60669	7433	15881	20930	30543	41137	35817	15240	27010	55517	23698	18813	10393	2399	9623	7970	6806	10180	10103	8080	20841	10992	35525	8940	17725	16421	26343	20014	50878	22219	0	0	0	19478	24603	0	16811	11767	30257	23049	24638	0	41849	24931	14733	16890	9790	14412	27162	25546	59914	46324	18564	35437	24207	27172	0	4838	14773	10553	7505	6484	12035	7670	0	12308	19687	21477	17271	12873	9874	4321	35524	18167	19653	25773	23646	46403	5409	12774	33317	31331	31327	0	21524	19961	19490	30854	21779	18822	15928	8603	0	26178	17627	0	11992	61369	Phytochemical	0.5625	1.0	0.125
4	C16 H16 O9 N2	381.09286	381.09348	-0.18802726	381.09277	5080	6502	2560	4436	8888	2280	732	2298	9940	5354	4220	3308	14378	1918	2330	3198	3730	8434	9245	3422	6334	7978	3080	3556	780	0	0	0	0	2564	1828	1558	3180	2426	7804	2318	2520	2136	3078	3956	8924	6104	0	0	0	0	6104	0	0	3040	4252	3834	4846	0	11250	11955	2830	2820	2044	2924	3930	4062	20260	12190	6096	10854	3836	5500	0	0	0	2420	1978	1870	2068	2480	0	2228	2474	0	1646	1988	1260	682	8394	3272	1810	6944	6418	6818	0	2500	4742	4538	2524	0	3648	4512	8908	17076	10780	4646	2182	2228	0	3814	5806	0	1126	24752	Phytochemical	0.5625	1.0	0.125
6	C16 H16 O9 N2	381.09286	381.09348	-0.11294514	381.0928	15041	17502	10295	12427	17597	7878	3127	9999	23758	16752	14191	8868	31773	3442	7328	10102	10242	20556	22842	8543	23400	20080	9317	11641	2523	1071	4214	0	4578	6352	7833	7410	11975	6373	20145	5634	12575	6959	11329	12297	25114	12606	0	0	0	8997	17208	0	7186	6795	14604	17262	14344	0	27490	20431	7949	10384	8862	10279	9734	10977	47706	26298	10563	23511	12019	13143	5397	2289	7904	7130	7832	5200	6387	5397	0	7920	6939	3026	6243	5929	2838	2671	21452	5662	7947	17353	13397	14333	3666	5858	16946	15794	8496	0	12366	13303	11750	23016	19720	13983	8577	7705	10427	13304	11924	0	3927	48762	Phytochemical	0.5625	1.0	0.125
12	C16 H16 O9 N2	381.09286	381.09338	-0.079543345	381.09283	33317	35464	29218	30569	39718	25915	12180	22138	47855	34958	34966	22052	61859	9216	19853	17492	32354	53327	53120	28599	58909	83296	33804	22091	10496	0	12412	0	17005	12137	16246	17347	33724	15765	64747	13120	27459	23307	32101	40609	81584	29453	391	0	0	23693	57077	0	14957	18121	34706	32312	34273	0	63847	37480	22807	23486	20687	33114	0	39519	94875	55846	19717	54768	28900	38074	0	10037	24361	16875	12178	9228	22715	12590	0	22160	27313	19342	17057	22895	7648	9963	41046	19073	29890	31046	29035	59031	10254	19720	45001	56720	33206	0	41227	37380	36691	37588	32381	30023	21948	15813	25690	37329	30798	0	14618	98895	Phytochemical	0.5625	1.0	0.125
8	C16 H16 O9 N2	381.09286	381.0934	-0.09952119	381.0928	30540	33952	23882	26372	30679	15064	7577	13991	44200	30233	33474	20949	59421	7866	14255	19971	23953	35750	40137	22631	41217	50016	25912	21345	4804	1731	11658	5785	12140	12924	13115	17706	25371	11591	39715	12797	27440	15221	22951	27473	58886	23000	0	0	0	21272	39667	0	18260	12890	26072	31546	22861	0	49087	33401	19197	19406	13016	26189	19052	29663	85170	55357	18635	44571	22601	29169	14806	5343	18084	15760	14742	10000	17653	14291	0	14552	19446	13682	14907	14054	8070	9666	42214	13527	18304	33129	27627	32476	0	16585	39621	33026	29348	0	31330	25825	31409	44685	40512	22960	17301	17726	17667	26130	25997	0	8356	79930	Phytochemical	0.5625	1.0	0.125
24	C21 H16 O7	381.0969	381.09723	-0.15249988	381.09683	10668	11284	9360	9507	13967	4849	1982	4355	11901	30402	25461	4957	14000	7356	5047	2381	3647	14843	15074	16714	16740	20716	5231	3994	4100	45418	1856	14072	1733	3998	1246	1243	3709	1540	40082	1161	4096	2600	4738	13518	22586	3647	0	0	0	16023	21023	0	2144	3457	8416	10134	8738	0	14392	9226	4006	3781	3475	5908	4279	11526	10709	10249	6416	15050	10073	3933	38889	30592	55350	2024	1612	0	2722	1544	0	1662	13469	21206	9461	16114	3704	15179	14478	7490	7261	6268	7759	5633	4345	4851	6049	32340	30908	0	8469	9052	11940	10720	10219	5002	3450	4090	11150	3408	13351	0	4528	11834	Phytochemical	0.33333334	0.7619048	0.0
14	C21 H16 O7	381.0969	381.09735	-0.09111934	381.09683	14113	12058	9628	9675	9862	5265	5249	3333	11122	33171	21240	3945	8228	3766	3750	4393	2155	5532	9640	21873	22713	24554	4797	3860	5074	30270	3044	10962	4404	2576	4934	0	5262	1675	42681	3639	3839	4229	4929	13524	16197	2967	0	0	0	7250	16529	0	2512	3042	8291	5854	6330	0	5584	8680	5182	3232	0	0	0	7551	13892	4253	4031	8795	4887	5914	28457	32754	48802	2936	5219	0	2347	2941	0	1967	7777	0	7130	9924	3900	9565	8470	5361	7383	3436	3243	7047	6728	9227	5885	13141	17909	0	7739	9906	9540	6977	8075	2810	4342	3797	0	7823	5442	0	6149	9795	Phytochemical	0.33333334	0.7619048	0.0
18	C21 H16 O7	381.0969	381.09732	-0.07360616	381.09686	33800	40094	20461	27043	33299	18128	7952	11213	29955	96881	83595	7140	23034	13939	9119	17411	7935	36470	40565	80144	72595	56990	16181	12105	7851	131107	7502	61477	7567	5520	7290	6087	10819	6604	118587	5924	8796	12452	9291	49993	54707	12659	660	0	0	38380	38861	0	8689	4043	31536	30417	25158	295	26216	23156	15010	12929	9861	11304	9182	33047	42023	22827	16462	28115	18302	10553	106863	107783	161657	6246	5270	4047	7350	10843	0	5968	24376	45704	15817	36327	7608	45078	29598	19544	23288	16502	16655	12858	24832	25177	18726	52633	66826	604	29919	26073	26387	19611	21431	12817	8346	11209	25410	11340	15406	0	9353	31803	Phytochemical	0.33333334	0.7619048	0.0
26	C21 H16 O7	381.0969	381.09723	-0.17083506	381.0968	2604	3490	3765	5044	4793	2530	0	0	3932	10125	9682	0	8098	2274	0	0	0	9334	3864	5795	9711	10758	0	0	0	12824	0	4086	0	0	0	0	1977	0	19372	0	0	0	0	3295	10827	0	0	0	0	5985	8388	0	0	0	4051	4987	4610	0	0	0	0	2362	0	0	0	4317	7412	3973	0	7021	2504	0	17651	18834	26978	0	0	0	0	0	0	0	3859	11923	5674	5089	2337	4308	6047	0	2696	0	3241	2256	0	1675	0	14832	18895	0	4223	0	4245	7001	7533	0	0	0	5780	1594	0	0	0	10068	Phytochemical	0.33333334	0.7619048	0.0
22	C21 H16 O7	381.0969	381.0973	-0.12929292	381.09683	30073	27139	22314	24657	26890	13509	9916	9388	28737	60153	59875	6519	23247	14050	6857	9813	8756	32819	31513	46780	50979	52714	15080	11734	10686	90600	5513	42064	4418	4606	5096	4133	9343	3933	76217	5704	9478	10136	10399	38661	50260	12047	0	0	0	38119	43751	0	9323	4730	24366	23717	23070	427	27990	21329	14768	5905	8846	13597	9572	27289	33011	21763	14739	24131	22250	11163	82236	92234	116124	3775	2311	2808	5285	4977	325	8034	22906	44781	19710	27009	10617	40633	35387	20626	23756	13748	20286	11941	10078	15029	13514	66803	65924	0	26053	21400	29111	32141	24514	7818	8072	11205	24746	7059	19950	0	13089	29035	Phytochemical	0.33333334	0.7619048	0.0
16	C21 H16 O7	381.0969	381.09735	-0.07190718	381.09686	18536	16383	17325	17834	18853	7958	6887	4837	18092	68848	46734	6220	19919	10607	8545	9930	6240	21063	21734	34841	49245	29083	7010	11915	4592	79918	3059	26992	3776	2126	5118	3555	7839	5871	74871	2629	7003	6233	9247	29342	33866	6449	725	0	0	23196	28627	0	6553	4807	17566	19301	12834	0	18449	13342	9208	8179	5874	8885	6657	19768	27231	16275	10045	18780	10453	9699	67370	79837	104505	3399	4140	0	4503	6988	0	4164	17204	25204	13534	20067	7619	25962	22153	11740	12684	10197	11021	0	18319	10309	0	36916	40631	0	18556	18684	18602	16479	17677	6716	4089	5620	13099	0	12067	0	7721	25243	Phytochemical	0.33333334	0.7619048	0.0
20	C21 H16 O7	381.0969	381.09726	-0.12451714	381.09683	34379	37390	33382	33475	32101	14594	7951	7749	41421	118925	93065	10723	34133	22164	9589	14482	9021	29222	43772	69784	87120	58569	15440	15552	12499	148669	8072	64798	6217	6636	8403	4230	13086	6149	124902	3975	14772	9797	8728	63633	64626	18366	1687	0	0	35380	58909	640	8373	9221	36543	30446	29356	761	33862	25780	20601	16936	14649	15029	17489	38978	42056	26449	20897	38020	25108	12667	132190	131531	182263	6736	5235	3127	4403	4664	0	6603	26019	64886	23464	33802	12571	48529	42147	24952	24951	25910	22605	23935	19928	21916	18069	75993	74033	784	35473	36425	36986	33569	28491	11327	7222	16357	35121	15757	26064	0	12836	40019	Phytochemical	0.33333334	0.7619048	0.0
4	C22 H20 O4 S1	381.1155	381.11612	-0.43800053	381.11533	0	2084	0	0	766	0	0	0	0	0	0	0	0	0	0	0	0	806	0	0	0	0	348	1118	678	0	0	0	0	0	1412	0	0	0	0	0	958	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1100	0	1272	0	0	0	1714	0	0	0	1736	972	0	0	0	0	0	0	0	0	0	0	28392	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2636	0	0	0	0	3222	0	0	0	0	0	0	0	428	0	0	0	1336	0	0	1514	Organosulfur	0.18181819	0.90909094	0.0
6	C22 H20 O4 S1	381.1155	381.1161	-0.040373564	381.11548	2459	1013	1724	1312	1419	932	831	0	0	3085	1517	1311	0	752	794	3219	0	0	976	0	982	0	1259	1430	640	662	1769	0	0	1538	947	0	1079	1481	1486	656	1414	1053	1800	0	0	1119	0	0	0	0	0	0	0	1324	1004	0	1050	0	631	868	2816	0	3270	1945	0	0	0	1235	0	811	1043	1851	0	0	0	1331	945	862	74829	1725	0	774	1274	0	1548	933	1290	0	0	0	1737	1161	1361	2310	0	0	0	0	0	0	757	892	1573	1380	1003	1273	1362	0	0	1898	1786	0	1137	2909	Organosulfur	0.18181819	0.90909094	0.0
18	C18 H20 O9	381.118	381.11844	-0.093498886	381.11798	388707	349262	358215	365960	377998	310518	170336	317000	456971	632331	284253	190433	711224	196346	287788	244228	153152	615895	529939	593102	517329	424898	302389	298631	199850	309149	167367	217712	294949	237398	270791	264627	342594	280308	685640	248614	388197	252800	190321	515818	307779	203070	14107	3687	3003	391703	318152	3388	284969	248817	374599	384468	310806	4447	669244	327455	214947	311338	281687	161164	253932	357131	661953	465132	182008	457450	272602	185071	353465	583493	499619	301633	250103	243982	173438	283406	2876	247211	312064	182996	290941	318662	174912	252714	369849	247667	262896	202056	260491	168802	254646	348758	316927	252816	345500	5903	373673	336948	340760	298887	273341	256001	198114	268173	224836	234093	277637	2896	192138	672436	Phytochemical	0.5	1.1111112	0.0
6	C18 H20 O9	381.118	381.11862	-0.14941849	381.11795	46617	52408	41947	45824	65594	48102	47056	44529	94644	75428	61903	34081	47277	22038	32384	43740	38958	100452	104788	63388	86125	90998	80806	96924	14104	29850	50634	33429	32130	35688	37964	39111	45224	31263	162558	35770	77954	33617	53474	71736	133170	31276	1645	894	1011	34805	125666	908	77000	39699	51961	44934	32392	1012	107514	45257	24682	87840	58408	94938	83676	31319	57025	100276	26082	82414	64338	110570	61006	55031	93821	34661	63862	32814	17783	36383	1162	27807	44364	21200	73194	26976	23609	20489	51483	31091	73302	29075	33481	94590	16058	29849	84648	39706	78710	1321	43561	44512	78642	94706	55084	88138	32333	41989	37094	35631	90252	836	26279	123360	Phytochemical	0.5	1.1111112	0.0
14	C18 H20 O9	381.118	381.11853	-0.039939538	381.11798	2024226	2036626	1974478	2060464	1844930	1482994	530638	1602616	2625902	4620020	2391508	1110518	2845584	462390	1385314	757988	498597	1411484	2473558	3959814	4104420	1477650	1473552	738120	435575	1025221	991828	929514	630340	670873	1332256	808324	1834190	658010	3176820	681289	1709590	1305664	1125928	3122560	1084522	1147450	23622	3843	3168	2030792	1007314	3692	698285	1322618	1022440	919162	1622378	3823	3197052	1533560	1050194	1582442	874064	600214	798990	2224170	2970902	2567504	875122	2165506	1333726	1037518	1313424	1861483	3472658	1497496	706915	656264	468374	728812	1961	1218022	1617018	680798	1543474	1588510	574323	1588482	1763480	547055	1419182	1104602	1356100	568974	603329	798820	1659450	955165	2368780	7381	2133224	1002884	1711116	1571208	1364164	750136	594658	888672	797300	1321738	1455394	3710	957264	2711654	Phytochemical	0.5	1.1111112	0.0
24	C18 H20 O9	381.118	381.11838	-0.032765973	381.11798	19315	20925	15525	22042	22049	15898	7222	13360	22651	32266	11554	13168	38484	11625	16132	12664	9701	33611	33061	24477	26571	20774	18503	18844	7723	10565	8051	8440	11737	9294	10122	13373	13754	15128	31315	10095	17824	11036	10229	18301	15423	9742	4266	2107	0	20180	22111	2546	12757	11043	18759	20607	18602	0	39531	22792	12875	12266	12908	7732	14012	13461	41414	28257	8742	26899	11211	10559	13521	26628	20453	16907	10009	6813	8330	11792	0	11749	20212	9549	20575	17175	10173	11334	31428	14640	13552	10136	12145	7602	12149	13729	12838	10986	20429	3067	19548	14588	17481	23553	20769	13660	11083	13066	18252	11322	11115	2207	11691	45960	Phytochemical	0.5	1.1111112	0.0
4	C18 H20 O9	381.118	381.1186	-0.17252406	381.11795	8442	8117	6217	9531	15776	4995	3679	8255	11361	11429	9779	6383	20488	6156	5586	8780	9505	21402	12058	8403	12079	11214	8294	10364	3137	5643	4071	4687	5859	7593	6266	6818	8834	3259	13551	8141	7088	6797	13065	6325	11823	6388	1488	1073	1630	7172	8546	1479	6902	7277	7136	5399	6479	1398	12032	9960	5445	8742	5738	8318	8928	5336	13533	18226	6556	18128	4962	8977	12702	6471	13045	5958	5113	6964	2768	8074	1050	5515	7677	0	7485	5775	5262	3446	23956	5861	7011	4768	7557	15482	2610	4674	7783	6124	5422	3429	7979	9181	8349	26748	21904	6826	7300	7681	6434	7026	7487	1071	4787	25710	Phytochemical	0.5	1.1111112	0.0
26	C18 H20 O9	381.118	381.1184	-0.13693994	381.11795	12492	10417	8625	11250	12407	13036	2174	8700	16326	19516	5712	6352	26679	8381	7458	6998	9760	23162	16909	19382	16891	14749	14297	10690	6317	6214	3841	5306	7527	6787	8197	5358	10281	5853	23784	5433	9889	4638	10636	11311	7574	8196	0	0	0	11587	11215	0	4690	6244	10443	9302	12268	0	20236	12039	8395	9519	6092	5892	8790	6495	24077	17063	4873	18252	10349	10657	8367	16959	16457	9429	7746	9874	0	6435	0	7069	11316	0	13068	9175	5462	5360	15665	7843	6488	7050	9639	1829	8257	7979	10517	7266	8403	0	10931	9943	9891	13281	16379	8606	6876	10746	6472	6834	11946	0	4430	25897	Phytochemical	0.5	1.1111112	0.0
28	C18 H20 O9	381.118	381.11838	-0.15973729	381.11795	10041	8477	10266	11308	12131	10655	5816	10206	10619	18349	9928	4970	20891	6234	9193	6900	7467	19470	14694	20385	20560	14816	11035	10221	6517	9262	5971	7475	9069	7632	7305	6553	10072	7929	20702	8465	8298	6862	5032	11213	11944	5941	2434	2195	0	10561	11341	1935	9181	7902	11411	10805	10306	0	17221	9661	5859	8617	7094	5812	10662	9908	17536	9778	4971	11722	8426	4251	12092	17049	14201	8027	6580	6613	6832	8132	0	7473	10118	8388	8305	8420	7272	8243	12622	7812	8867	6984	8249	5505	9605	9396	6969	7380	11212	1219	10634	9889	9135	9919	10698	7314	5629	8732	10208	6073	7255	0	6676	18349	Phytochemical	0.5	1.1111112	0.0
22	C18 H20 O9	381.118	381.1184	-0.14081784	381.11795	46588	46461	39150	53635	54568	47733	21368	38303	70371	66200	29086	33147	73501	29261	40699	38507	26278	80080	61279	58475	58512	52698	41123	43989	25006	31477	19704	22637	40571	30767	31064	32958	44129	34779	68735	33821	47090	31181	25764	50444	38577	24890	3342	0	3021	46969	55658	0	32982	35253	46799	48648	48214	2506	71429	52845	32667	48219	33983	19732	35745	36625	85557	62984	23383	59194	28391	27551	32132	60075	50361	40658	33942	32749	19032	30194	2846	33388	50549	22397	44741	46887	23615	30322	64947	41803	42922	25356	33292	26875	25593	38958	35542	28554	35749	0	37473	48733	45493	60129	51568	32262	31849	32437	37569	35007	42527	0	28603	99010	Phytochemical	0.5	1.1111112	0.0
18	C17 H20 O8 N2	381.12924	381.12967	-0.09526514	381.1292	18806	27067	31189	27675	26538	31665	18122	26732	28101	28164	12872	19636	35319	17351	33095	26738	19603	41558	36677	19817	23478	43201	29503	31649	29660	5886	18214	14417	26942	21677	26445	28792	35903	30539	37157	24095	37869	26363	21255	25617	19107	22232	651	435	305	17244	23266	0	25601	19606	28375	30567	25814	520	39123	22030	19963	33275	28123	13700	32030	18449	33811	25360	14518	26198	26510	20469	9497	14415	10365	23672	18105	12843	16587	14248	0	20312	37198	18305	26627	13916	14626	12952	22329	19096	26667	20939	19552	29125	27038	41725	63419	18979	33858	0	24848	24587	19946	19924	15692	32936	20262	22779	11635	30261	18424	442	27790	44987	Phytochemical	0.47058824	1.1764706	0.11764706
2	C17 H20 O8 N2	381.12924	381.12988	-0.19561489	381.12918	11123	11618	8915	8786	12694	0	5799	10133	17972	9769	13157	11007	23311	4762	6868	1653	12046	16618	18194	7243	19449	20114	10052	7999	3413	1119	0	5487	9624	4842	10267	7361	17613	8771	17999	9050	12062	8224	12794	9713	17706	10494	0	0	0	6189	10759	0	9323	6119	10476	11021	13824	0	18015	11166	7987	11341	5786	9386	3195	6909	30449	19994	8141	21119	14173	16269	3640	4812	5852	8828	9593	6110	549	7159	0	6378	9925	5765	8595	5627	4735	2845	14596	7544	9456	15838	11334	18199	5658	9255	16278	12529	2069	0	11000	10273	11504	17312	16444	8778	8024	7284	7245	12596	11039	0	5609	30244	Phytochemical	0.47058824	1.1764706	0.11764706
10	C17 H20 O8 N2	381.12924	381.12973	-0.1543413	381.12918	405549	387051	341479	335241	211536	197844	222643	422036	275334	477611	284138	268486	314904	108538	295892	360639	322567	365713	397867	459657	531507	585762	337709	420857	189990	74982	228431	183475	349486	330910	363769	380322	523021	336425	629444	331565	489424	290946	393417	548826	562477	216673	4467	0	0	412166	459043	0	396108	341252	379549	387970	212529	744	376642	183170	148838	386874	405825	317345	428940	379250	324306	316273	153074	289866	232947	381665	182929	208685	247613	387856	330384	306217	269088	333015	0	271666	273001	200003	258129	287434	224315	175503	214626	160666	269865	254423	280681	370712	240845	349741	559164	324273	362568	887	380220	373957	168702	171231	170660	429595	304066	432398	345092	405131	167060	0	227572	460774	Phytochemical	0.47058824	1.1764706	0.11764706
8	C17 H20 O8 N2	381.12924	381.1298	-0.13240916	381.12918	322311	343933	265651	340782	185316	164819	168403	315461	260998	407538	269916	267135	273355	72100	245391	329073	320249	296884	361096	385160	463085	548373	296220	350761	117855	46693	183593	146888	264740	260666	289864	331900	390718	272504	609405	257573	376387	243418	377346	422604	564705	211258	2197	343	0	363144	482236	0	314963	305121	310238	342862	208404	337	320343	164313	158374	290169	291836	323558	340114	311795	328530	294631	144439	266428	219909	370469	135937	145573	221847	309209	295528	248418	221195	285895	0	231438	248409	184292	210510	230120	191621	155925	183390	129258	217040	263398	250409	404687	177191	333512	529748	312251	316554	758	338447	319821	166143	197383	168233	366387	251721	388403	258933	365386	175243	0	174476	405770	Phytochemical	0.47058824	1.1764706	0.11764706
16	C17 H20 O8 N2	381.12924	381.12967	-0.14775084	381.12918	80382	82274	79296	77813	65260	71311	62329	69753	71087	83471	41782	54843	94308	41150	80714	80059	57108	110406	110165	56956	58011	110060	82065	83881	62730	12367	56606	35623	72372	60016	74044	85615	104799	64514	102691	57434	105067	73563	61116	83347	69310	61073	1445	499	434	67932	47815	400	84746	63921	79689	78127	71113	544	85415	44905	50743	85672	79391	43470	87945	58237	73035	72866	48176	85213	67820	53099	20236	37111	33432	69964	63951	52901	64357	58608	487	55913	79386	50304	53921	49297	47098	47042	59782	49885	79602	76590	65437	102507	53748	95116	180467	52270	69341	0	71758	69904	54310	41479	44052	96783	59309	65335	45008	110694	54519	451	74632	119322	Phytochemical	0.47058824	1.1764706	0.11764706
14	C17 H20 O8 N2	381.12924	381.1297	-0.16613822	381.12918	173044	166860	151158	182767	109459	129040	152187	196469	139764	175379	101747	122983	168241	72467	165194	187046	132995	183885	189017	163118	177055	303353	166605	190549	140454	42296	129656	80833	156453	142862	152859	161769	239361	158674	257723	157581	219637	155153	145041	193171	176733	119953	3109	434	0	168999	162066	530	165055	165295	168094	155807	122760	821	195847	101061	98124	196290	201297	125521	212915	150543	161417	148735	87205	148564	136511	140030	59160	100122	101792	160294	145568	132196	119784	135778	0	148982	166830	117445	143083	109700	118763	90110	110879	96638	170564	141659	141189	211676	145647	194503	318965	135799	149664	1111	170138	164856	94056	93186	92487	219748	130105	187345	136963	190264	97118	0	140210	207525	Phytochemical	0.47058824	1.1764706	0.11764706
6	C17 H20 O8 N2	381.12924	381.12982	-0.12827732	381.12918	146865	177253	152139	168204	89268	75461	78171	170301	125294	216459	162202	128315	148165	36364	104782	174594	165773	160369	178122	185324	252863	256572	135422	197961	48507	22439	82563	83198	125599	134953	158797	157682	210129	135479	274671	140853	190884	116540	247373	163120	312216	99026	1436	0	0	168202	290476	0	189793	154337	174999	169632	101885	365	146216	86908	71537	167075	132799	215021	156933	142824	196062	126253	68905	136019	127329	247266	67510	70090	117202	150931	150414	133290	100028	129469	0	94661	104347	86816	95372	104385	83867	66879	106863	78187	111042	130468	133595	236733	95774	147358	240909	166803	170268	0	160013	155268	73460	102546	106239	195442	119129	192054	157928	185007	85289	0	77366	222019	Phytochemical	0.47058824	1.1764706	0.11764706
12	C17 H20 O8 N2	381.12924	381.12976	-0.16495675	381.12918	272461	274227	293685	266317	159518	166366	230837	326275	226777	322888	210096	204075	232862	77079	251263	259310	280842	296212	305994	349372	376999	499157	279137	329797	189862	61237	164206	147910	286377	222142	290717	284718	377413	247306	477278	236849	342934	242647	295846	402368	387970	168149	2509	0	377	333452	343972	0	295781	265421	290029	267686	193717	732	308390	128051	135186	309700	342399	279332	298026	323955	284243	234125	118146	242022	199246	298308	149699	197521	193899	276789	250285	243598	198154	236465	200	226041	234852	217240	222464	233290	196460	152438	153825	131109	235751	184404	214806	371138	215971	341792	502435	243606	230721	1253	294802	293382	146833	135748	132418	307190	219779	250026	233223	324272	147486	0	198089	348748	Phytochemical	0.47058824	1.1764706	0.11764706
10	C14 H24 O8 N2 S1	381.1326	381.13342	-0.20452496	381.13254	5097	4690	3217	3778	2050	2207	4405	4636	2445	5381	5529	2061	2670	1248	2107	5487	4582	2280	2684	7198	4078	2573	1763	4647	3812	4478	4987	40037	4617	3046	3761	3916	3539	4265	6397	5031	3744	2772	5237	4956	5433	1462	0	0	0	4175	4397	0	3326	0	4147	6785	2807	0	2320	1432	2079	3819	5016	5643	0	1422	2063	3170	1541	3514	947	4639	0	6851	8869	2617	2468	4727	3308	5541	0	2755	4687	0	4281	3701	2804	2941	2044	2069	4373	1966	2115	3378	0	0	5169	2816	4677	0	3894	2972	2254	1750	2068	3556	3481	3802	0	5282	1863	0	3792	2183	Peptide	0.5714286	1.7142857	0.14285715
22	C22 H20 O6	381.13327	381.13367	-0.115078576	381.1332	66354	69719	60386	71774	60529	36261	20305	23523	59220	164053	158207	17590	50268	47518	27065	32461	20840	74568	65459	146855	153461	79433	34401	36912	34684	351425	18226	149128	26701	20064	23418	24591	32292	22498	176639	24580	39914	27086	22313	117799	122771	33087	2740	0	809	72283	78808	0	28453	23398	62798	67370	49961	717	47475	49477	29058	37154	31299	30219	35843	73303	75796	51984	35214	76301	44313	25461	282071	287081	379819	24835	20712	16587	12797	21956	719	21071	51734	67455	40289	62727	27112	89122	74212	41482	52845	36696	41588	40980	39899	44368	47980	86299	90771	0	60240	61727	56826	61439	55995	35718	22255	43334	55964	32456	45758	0	29767	64085	Phytochemical	0.27272728	0.90909094	0.0
28	C22 H20 O6	381.13327	381.13358	-0.20714597	381.13318	4569	3356	3299	3848	3331	1611	1231	0	3293	7848	5619	1731	5614	3587	0	0	0	3187	5632	6647	7701	3755	2382	2392	0	16177	1333	8106	2192	0	0	1579	1268	0	11025	0	819	978	2241	4135	8558	0	0	0	0	4060	7365	0	1869	0	2565	3553	4169	0	2665	3656	1434	1872	1092	1070	0	3042	4148	3611	1998	7028	3275	1743	18211	16377	31719	1527	996	0	0	1363	0	1049	4131	5624	3209	2848	1343	6623	5829	2115	2843	1415	2811	2167	1967	2078	2537	5309	5276	0	3296	3998	3839	4718	6809	0	1241	0	2330	1303	3112	0	1403	5250	Phytochemical	0.27272728	0.90909094	0.0
26	C22 H20 O6	381.13327	381.1336	-0.16502027	381.1332	12622	12524	9132	9788	9202	5713	0	0	11515	20537	20174	3647	18055	7092	0	0	0	9631	10601	16751	19227	14156	5687	4985	0	43854	2191	17460	0	0	3300	0	4352	0	29060	0	3558	3941	3093	20589	25058	0	0	0	0	7935	17839	0	4891	0	10719	11844	8607	0	10272	7825	4348	3749	4434	5543	4507	11073	12105	8444	3328	14026	7200	5046	52967	44952	64517	3579	4436	0	0	0	0	2935	8294	11285	9303	10478	3854	15734	11518	6908	7769	4950	5804	6914	3410	4665	7615	15602	16953	0	11297	8162	8787	16512	12511	0	0	6432	5819	1923	8558	0	4026	12428	Phytochemical	0.27272728	0.90909094	0.0
24	C22 H20 O6	381.13327	381.1336	-0.17563413	381.1332	30433	26127	30868	27370	28098	18025	7138	9617	34665	57641	70885	7385	39395	17404	8594	15566	8239	35136	34039	62149	55184	35498	19148	15838	9929	159276	4644	59147	7561	7106	9981	8625	12961	8494	75462	7464	17286	7793	8633	43043	65679	14314	2623	0	0	31407	50357	0	10774	9009	30846	33318	27097	0	25177	25878	17855	12790	10554	14289	11817	39171	35115	25821	13346	32999	21758	9386	139109	116846	164132	7058	9095	5897	5817	7409	0	8577	25911	34192	21590	28928	11943	45180	38472	20861	24270	13382	21497	16358	19376	19471	24705	42188	38538	0	28264	29370	26760	33359	35129	11642	9162	15663	28290	11358	24165	0	12464	32198	Phytochemical	0.27272728	0.90909094	0.0
20	C22 H20 O6	381.13327	381.13367	-0.11890604	381.1332	82768	90396	77558	72469	80209	45492	29341	44333	70190	185634	158414	29168	73632	55810	34896	51672	25332	76917	91872	151403	184908	83772	40597	53715	34469	395588	24214	156426	40218	33860	27465	31248	44536	30968	214351	29219	51190	31356	34975	124619	135900	40143	1764	718	347	80202	94737	1267	37445	36891	78265	86144	52327	855	63374	59275	38497	40798	36126	41502	42457	84947	73135	54936	38984	81123	51469	40922	325572	359237	471084	39231	28686	24110	24696	35507	545	30976	61036	78159	47489	63668	42182	111939	77721	49130	63780	48526	58105	56615	64701	57053	69551	98365	103662	1734	75765	72155	68691	72386	61013	41911	28149	51107	56060	47554	55630	1025	40045	81931	Phytochemical	0.27272728	0.90909094	0.0
18	C22 H20 O6	381.13327	381.1337	-0.11776413	381.1332	74820	73085	59388	62444	54872	39149	26543	35319	48864	124082	106450	27495	59945	41685	35610	47551	35320	50231	64603	124775	120913	61057	40159	47326	32377	241892	26681	98396	30892	32427	29335	32921	42361	27273	118442	21279	37916	33307	34348	86679	89407	29293	1522	473	411	68562	65310	599	36654	32598	60266	65830	41510	404	51076	41906	34108	50227	31615	37614	43252	58521	63772	46415	27734	56295	42928	38615	196996	241708	349598	36174	30359	28923	27300	38171	451	27270	57907	52200	53448	56230	35514	66075	65776	32880	52504	30540	37036	51398	56458	44694	64540	56752	82534	651	63901	61360	54177	54633	41996	41001	29697	40072	37520	32622	38615	0	34897	52378	Phytochemical	0.27272728	0.90909094	0.0
16	C22 H20 O6	381.13327	381.13367	-0.1889047	381.13318	33953	39284	35035	34014	33121	15347	22228	28141	31015	62537	57179	17488	29031	24917	23250	31872	26032	23849	34879	68725	70196	35257	19335	30034	19225	116852	21469	43050	23953	19042	22444	24349	28930	20761	77899	19965	22892	19813	26288	57955	56577	17900	721	394	0	38597	43109	547	30282	22911	39036	35107	27890	418	27531	19178	23424	26790	27802	25816	26979	30275	33594	27840	11906	28778	23213	25920	105871	135271	168070	25415	22500	28292	24497	30564	370	15906	41923	32511	32054	40280	24223	41130	38944	20947	38063	22086	20271	47840	28834	25406	33877	33431	38350	0	37197	38531	27882	29947	22054	24498	21253	27523	21636	28927	23761	337	27714	29359	Phytochemical	0.27272728	0.90909094	0.0
24	C19 H24 O6 S1	381.13663	381.13705	-0.02163171	381.13663	12974	13691	13194	16096	11554	10067	2715	5537	12057	36720	16646	4599	19670	9245	7723	11426	6480	15802	12395	33356	33816	27763	11728	7268	6582	23882	2604	19640	5891	3551	6013	7463	6964	4503	32760	5907	9020	3430	8020	29865	23463	8172	0	0	0	16978	13003	0	5440	3562	10149	11756	7808	0	9072	8558	7341	12611	15562	10141	6555	21884	5247	6102	4906	16057	11041	7563	21987	45814	36490	6047	3435	3197	6332	4127	0	3122	7090	13863	3076	10399	12450	21297	8549	4668	7078	6102	6144	14856	30648	30972	15909	22592	31365	0	9895	11912	8226	8824	7330	6158	5229	13951	20232	6943	5277	0	6460	14317	Organosulfur	0.31578946	1.2631578	0.0
16	C12 H21 O3 N8 S1 Na1	381.1428	381.1429	0.02443121	381.1428	9296	10327	10396	15399	10880	11496	9635	19457	11821	25557	18288	7054	13287	5177	11042	14039	5396	14221	18342	29356	34378	16046	13411	12310	8936	25018	6601	18445	7747	13305	13195	0	16907	7225	28448	13241	14337	8278	9526	24187	22663	8036	0	0	0	13539	15929	0	17187	8673	6000	10957	7519	0	13844	10449	8297	10385	9526	0	0	13462	15036	11930	5253	11301	9153	8268	28448	34669	40317	15613	12932	14142	9143	9673	0	9760	12772	13366	10833	8750	9039	12482	12878	6724	8138	8610	10457	0	13466	10959	0	8230	13874	0	16031	16252	9486	7006	6685	10519	6661	6612	0	0	5287	0	8858	17747	Peptide	0.25	1.75	0.6666667
12	C12 H21 O3 N8 S1 Na1	381.1428	381.14343	-0.065125816	381.14276	0	8442	0	8326	6206	4890	7662	10848	9720	25824	28748	6194	4804	4458	7980	18925	0	11458	14400	23796	34482	4802	16321	7178	7220	56490	10298	22166	9082	10852	14484	9972	12112	7212	31446	11018	13145	7656	14867	25756	18372	6737	0	0	0	16010	17396	0	15692	0	12748	12894	6837	0	9456	7736	8128	9140	11280	0	0	11760	11094	5300	2054	6570	7268	0	52536	62404	61200	10149	4225	9161	8963	8583	0	5826	11816	0	10642	8990	6029	25160	7972	6324	16052	6602	7060	12416	5946	7760	9732	12112	15504	0	12290	14268	5632	6414	9516	9120	7906	9988	0	8942	5242	0	9387	10438	Peptide	0.25	1.75	0.6666667
14	C16 H25 O5 N2 S1 Na1	381.14548	381.1458	-0.4229084	381.1453	7003	9140	9546	6561	0	3657	4125	9904	4463	21334	12468	4212	8867	3364	6842	7763	6744	7189	5877	15117	22121	10942	4676	7577	4323	23834	6982	14044	6047	4892	6768	10827	10219	5867	17174	5683	8158	5504	7946	16794	10696	4331	0	0	0	12620	8922	0	5656	8275	5989	7892	5718	0	9837	4248	2489	11064	0	7352	0	9351	6295	6315	2963	3679	5027	6807	18270	32916	28767	6715	5235	4891	4058	6508	0	4751	9556	0	6647	5092	6574	12499	7523	0	6912	0	5183	11629	8669	6670	8032	6795	11664	0	10844	9242	6611	7639	3600	6456	6085	8058	0	6109	2415	0	5698	7686	Organosulfur	0.3125	1.5625	0.125
8	C23 H24 O3 S1	381.1519	381.1524	-0.059240837	381.15186	3005	2212	1730	0	0	1406	1901	1187	2706	0	0	1802	1033	0	1047	1662	2442	802	1705	1834	0	1910	738	2150	1808	0	1414	0	1001	3012	2163	1490	1645	997	0	2077	2158	2234	2655	0	0	1302	0	0	0	0	1790	0	1505	2229	2106	2707	848	0	2430	1685	1876	0	3497	1511	0	0	0	2170	0	1335	2977	1473	0	0	0	1396	0	1119	53735	1292	0	1230	2815	0	2883	1298	2207	1034	1608	0	1790	1191	928	2585	0	0	3601	0	0	0	0	2367	1792	2452	0	1483	1098	3443	0	1872	2696	0	2276	0	Organosulfur	0.13043478	1.0434783	0.0
20	C19 H24 O8	381.1544	381.1548	-0.13087931	381.15436	715359	782815	772930	631887	607619	633188	375379	801690	770436	1295684	508204	448423	1092172	378344	698342	577700	328742	1046072	1012852	1311822	1166508	827146	650779	757526	553347	836182	338740	451685	738216	609235	673126	642882	845217	656083	1448245	611628	947301	510083	379230	940840	488244	432893	21499	11765	6866	633162	450422	10213	720870	580871	738459	765899	549595	7979	1105120	611687	385617	712973	682379	313155	656967	560834	967211	832614	294481	744598	507131	376778	671553	1522524	996883	763905	680603	740746	396869	650324	5816	584380	649207	317374	561780	372515	483447	504771	570864	393754	541830	403773	501136	397645	709595	745236	837762	362296	505372	13350	758889	728977	476007	539992	500756	676991	487631	746568	406709	598773	435688	9524	451859	1160649	Phytochemical	0.42105263	1.2631578	0.0
22	C19 H24 O8	381.1544	381.15475	-0.14270243	381.15433	217146	198553	183116	205296	179745	173439	101670	217673	232205	337975	139880	123131	286229	121396	190336	190073	109689	318189	231216	309011	296162	213030	204632	228430	162225	211501	85230	104814	208938	159914	185162	204501	232885	189656	332414	181705	234027	151941	115305	213732	146865	112258	12260	5870	6110	192051	143774	4717	205577	162396	209233	203058	178666	5022	297687	188931	116245	218128	174782	94389	200115	152187	295166	225522	90234	229763	151820	120444	184044	390767	289779	204887	164190	174888	103246	180776	5215	150757	206320	88171	174921	119801	124457	133171	204000	131268	185417	116903	144464	127438	179978	203681	236032	106994	167497	8080	193837	209595	141094	209915	194817	181545	133945	177803	118615	182714	135361	4029	135277	345482	Phytochemical	0.42105263	1.2631578	0.0
28	C19 H24 O8	381.1544	381.15475	-0.20243515	381.15433	20376	18813	18328	18622	16843	15832	12773	21449	15964	29348	12431	10180	34713	13903	17021	21932	16725	29034	26849	40287	33645	21368	24336	27581	16239	23561	11773	16314	21495	17934	17052	17288	22166	20200	35125	20562	20091	11920	15352	22707	17243	16173	3214	2092	4440	18732	14826	2558	22570	19987	20312	18118	17505	4125	28435	18195	12015	22639	12926	10131	27873	13439	24296	16339	7353	24632	14808	14295	21853	37636	26036	21504	16665	19622	15292	17774	0	13360	19815	12615	14903	12118	15205	17704	17189	10665	21196	13349	15692	19066	25947	22566	27525	10201	17000	3281	18140	19679	12826	17376	19933	19145	13351	19358	11765	15320	13013	2297	14090	24623	Phytochemical	0.42105263	1.2631578	0.0
26	C19 H24 O8	381.1544	381.15482	-0.13906012	381.15433	29935	24125	30777	26974	26533	23914	13673	33201	26722	42392	14892	22192	54768	12468	28873	29203	15987	45147	46133	55786	47041	28422	30004	34578	17340	25495	11936	18788	30211	26255	26004	24402	31650	27099	55118	28262	37695	22801	20025	29718	19822	23343	0	0	0	24314	25906	0	29911	23067	27246	30844	28622	0	38436	30818	17154	34063	21833	16076	34717	20750	45926	33280	9537	39063	20368	20038	28811	48259	39449	29885	27149	24024	21316	25905	0	18014	34236	17179	31682	19585	24634	15536	32690	18340	25059	20203	24982	19818	28211	26172	37500	10978	22804	0	27374	27267	20645	32020	32354	33371	23769	26528	13843	25885	16781	0	18033	47718	Phytochemical	0.42105263	1.2631578	0.0
12	C19 H24 O8	381.1544	381.15494	-0.1292795	381.15436	1630560	1862916	1859832	1778444	936628	780912	1328614	1953436	1265796	2300890	1516196	1065286	1051812	252062	1321578	2054782	1428970	1292406	1601012	2698964	2550818	1897792	1557468	2156368	1136690	2232818	1268646	624324	1684232	1619214	830628	1838372	1750102	1437484	2508564	1582488	1591194	1330662	865829	1813702	1947280	879764	18420	4313	4071	1670778	1626286	4719	1919286	1811040	1761906	1896756	949092	5212	1619706	955374	775368	1906504	1656814	761663	1097420	1178074	1448874	1187700	618188	1116514	884080	1500850	1153986	2914648	2900836	1574742	1593980	887456	1551566	877337	3090	1318642	1601258	554127	1614172	1228572	1406892	1166282	1162028	776132	1437040	762242	499279	1721166	1327662	1472018	1897038	1010998	1495342	10773	1867870	1923344	988356	970166	1010724	1705838	1248102	1981482	562583	1426182	925136	4597	1330772	1430242	Phytochemical	0.42105263	1.2631578	0.0
24	C19 H24 O8	381.1544	381.15472	-0.16667712	381.15433	64867	65453	65031	70253	67585	47823	27525	71669	71278	104874	42068	46000	127616	42069	59439	70101	38405	99473	98666	92130	94593	60773	71325	77256	38744	50291	23543	38308	54985	48243	54079	59613	69679	55906	116071	62752	73734	45074	38433	71034	50161	37401	5676	4461	7201	61134	45671	5492	65058	52743	60455	69493	56113	5533	102119	65932	41923	67066	48040	29911	70167	46111	97378	76915	26643	86230	45256	36394	60658	107421	80632	68976	55551	54913	36481	59505	0	52945	76553	23165	66380	35068	38373	33892	77975	42526	65088	37817	47852	39392	57233	52280	78395	31947	52695	5614	62077	64590	51483	68514	69554	58660	44930	59374	37191	61902	42968	5012	44292	101645	Phytochemical	0.42105263	1.2631578	0.0
28	C23 H24 O5	381.16965	381.17	-0.18615015	381.1696	8263	6292	7420	7970	6409	2682	2361	4608	6038	9814	8068	2457	9647	5190	3491	5529	4484	6238	9200	11062	11275	7771	4035	6849	2352	23908	3439	8133	3974	3373	6094	4202	6715	4672	11032	5073	6799	2637	7029	7626	11680	3741	1474	0	0	5618	6155	0	4678	6256	8065	6263	8101	0	4915	5618	2642	5552	3755	3618	6457	5195	7371	4219	2363	11335	6855	4383	20851	23248	36113	5604	4701	3248	0	4023	0	3473	5530	8183	4609	4486	4641	8211	7298	3788	4884	4722	4246	5324	4998	6344	6396	7935	5686	0	5574	7160	5187	10031	11590	4950	4414	4675	4418	6277	7819	0	3845	4672	Phytochemical	0.2173913	1.0434783	0.0
20	C23 H24 O5	381.16965	381.17004	-0.1443189	381.1696	118360	146936	137001	123276	124216	77307	75137	114269	102785	175749	165516	82296	115573	87627	96806	130196	98312	108837	131732	214365	226844	143161	89157	122883	88424	497992	78008	148914	97116	96912	90469	95428	133824	94634	217130	93165	128029	81130	106473	178167	210355	77476	3709	1095	523	107307	127843	1695	110727	101292	134905	129155	102086	850	90453	92333	75006	117829	81829	89955	120893	107752	120669	84284	64833	115603	91502	119954	387967	427751	590772	97501	95076	95649	101636	99382	334	74633	135520	120229	100090	81258	89581	143227	118780	75596	138208	93806	93508	145464	136068	119640	167202	105016	122400	825	133238	135422	100347	106510	93317	118417	79088	140066	79555	107855	94415	842	94093	114232	Phytochemical	0.2173913	1.0434783	0.0
22	C23 H24 O5	381.16965	381.17004	-0.14165607	381.1696	161909	165076	134468	151022	145718	95651	63809	111036	112172	214904	246725	74901	110795	97195	87516	139957	110319	124768	136533	259666	283739	148964	99453	138547	92650	682314	67219	238583	113108	96713	96260	102757	137674	106059	249766	96653	126542	82254	116561	203116	250224	93283	7908	0	846	140396	163141	0	109972	100306	152859	142397	110284	1349	100351	98343	82080	131523	94228	96655	136266	144711	124055	92327	64613	138094	122324	115800	587151	555103	824390	106524	90507	83279	78799	100465	587	75859	138934	126562	116668	107694	86759	172219	140710	94766	136374	111571	96585	140051	124641	131584	169114	139756	167373	0	149035	150380	123609	118223	110804	138053	77617	135498	99380	121266	105192	0	100534	132899	Phytochemical	0.2173913	1.0434783	0.0
26	C23 H24 O5	381.16965	381.17004	-0.15762973	381.1696	30633	29620	26158	27798	35736	18817	6864	20241	25529	39161	59330	12692	32906	18168	12851	17453	16978	22039	38240	58782	57734	33407	17806	26449	17367	131211	9436	60357	15975	17912	21049	19449	23106	17380	52803	21283	23971	15701	16070	40614	51082	22314	0	0	0	31095	35355	0	17741	16300	31873	31686	24703	0	29726	24206	15973	26278	18224	14677	25636	28380	28744	27543	14028	41327	36470	17154	129843	86993	123361	17717	15405	14916	10898	16862	0	13341	26473	35208	19671	22314	20939	39851	34433	16799	24663	20631	18386	21303	15194	19541	35025	38651	25601	0	29618	36007	25109	33286	32755	30192	13620	25833	23419	19903	24848	0	18522	26689	Phytochemical	0.2173913	1.0434783	0.0
24	C23 H24 O5	381.16965	381.17	-0.15705164	381.1696	95776	107607	90797	101043	101027	60461	33785	68361	76595	153607	192934	44715	111108	60977	45145	73027	54078	87652	113741	179578	178861	98721	69529	88625	51620	456596	33081	184597	58075	58092	57913	59157	77276	59732	200324	64449	80977	45824	57818	154812	167744	58757	2879	0	0	94469	101237	0	68957	58127	97949	96822	83012	0	79833	74495	52560	75535	58653	51169	77529	110380	82295	64540	40118	109824	91733	59064	425277	329004	467863	60150	53249	47299	34805	58931	0	42580	84523	92220	63104	75611	55072	130053	100330	59565	80630	67410	70993	67717	71294	68156	99327	91638	108429	0	96144	98851	71831	76981	85181	75509	40171	89479	67753	70436	69874	0	53627	85201	Phytochemical	0.2173913	1.0434783	0.0
26	C20 H28 O5 S1	381.17303	381.1734	-0.06171291	381.173	10035	11648	12779	10411	7159	6489	3337	0	4762	20496	11447	0	7804	4521	0	9469	0	10044	9352	31417	29531	26330	0	10221	9870	17856	2671	17001	5587	0	2679	6598	7666	6649	27075	6921	7867	5323	8228	25481	22936	13614	0	0	0	14676	17529	0	8126	0	14445	11196	8401	0	0	0	0	13427	14459	10691	7893	13699	4635	3618	0	9948	9065	9362	15477	25027	18664	5334	0	0	7499	2823	0	0	5071	11981	4546	12797	11201	13442	0	0	11276	6065	5971	23341	41791	42724	18813	19979	30246	0	13584	15085	10206	5969	7085	7249	2941	13320	10016	8317	0	0	8163	7093	Organosulfur	0.25	1.4	0.0
22	C20 H28 O7	381.19077	381.19113	-0.1641987	381.1907	744818	748543	705520	745348	582056	624260	435701	796035	771384	1213911	441340	397053	820569	436306	686761	645259	345791	1069258	891959	1294218	1056146	792493	616500	774521	675130	571716	378967	455462	869457	657819	706290	758514	980479	694091	1318354	802454	1118794	554605	378258	764055	347506	463172	19782	5505	4367	591016	303240	4272	780637	624050	741519	720738	569702	6662	1126991	641950	405492	769215	694582	240249	728434	473210	908274	753895	302611	757743	585395	341989	450893	1342665	643323	723310	649600	714379	357835	684519	3863	556505	586070	264248	493806	336997	556534	387358	556592	447625	570226	412866	567437	439850	879901	978617	922120	354246	638257	9352	676677	727383	455525	692288	613933	866501	469700	794839	376474	634884	449610	4583	462045	1037370	Lipid	0.35	1.4	0.0
24	C20 H28 O7	381.19077	381.19113	-0.16014178	381.1907	196918	185984	180656	188020	155840	151653	101065	191613	168777	271169	95075	101614	329386	124310	168152	177605	90122	264791	302573	260247	227941	194526	171384	200882	139956	139726	87098	97774	188842	172274	165725	189173	233583	164670	274641	195340	293225	122104	103140	185877	97662	104635	6911	3248	5831	139865	89762	3270	199411	144692	185358	165192	148030	6098	286725	188641	92388	216414	152734	67820	200454	113704	243043	193504	74860	221003	136242	91507	126173	319110	184487	171149	160820	182725	112902	164386	5153	133545	176923	74252	141831	83808	127227	102220	157384	97070	159159	99036	142325	187517	228083	244431	269298	90350	164646	3903	178368	187824	105148	189459	205840	212777	107502	186213	90123	176610	104890	4035	117470	291191	Lipid	0.35	1.4	0.0
26	C20 H28 O7	381.19077	381.1912	-0.17358667	381.1907	45144	45565	44069	39868	43114	32619	25440	54830	41101	49462	24648	31237	92552	32964	34870	52751	34597	63371	80965	61645	60023	42306	43657	54366	25574	30775	28146	20979	53293	49278	48842	55383	56612	44488	53404	57804	73352	29769	34756	43799	34196	28421	0	0	0	33281	23889	0	62790	43432	44869	46958	35666	0	64935	56312	30171	58573	26981	15617	54310	24598	60828	49787	21289	65254	35389	38085	38944	67481	52381	43916	45644	38199	34024	52630	0	33213	51290	17505	35741	20327	36382	25410	44640	23136	45554	32299	37026	33485	57208	46998	60413	18258	33619	0	43942	48204	24187	65025	67596	60163	28965	48453	18248	37876	25186	0	30734	67440	Lipid	0.35	1.4	0.0
28	C20 H28 O7	381.19077	381.19113	-0.19325984	381.1907	19326	17043	16103	19371	17957	14130	13268	24159	15970	23685	10092	11100	38213	15475	13543	27630	18023	23819	29237	27973	27176	17369	21781	20668	15341	18186	14715	16240	23550	21923	19494	20087	24935	20320	22707	29037	24005	11232	16258	15566	10963	13759	3358	1819	0	14861	11384	1819	21987	23346	18354	15801	17412	0	21623	21002	10141	26728	12426	8104	28076	9688	21042	18719	9188	25293	16603	15366	15692	29216	25658	16901	15187	21260	18079	20255	0	13087	18613	10378	12651	8282	14720	11219	19232	10016	23641	12968	16737	17509	27503	23662	27880	7061	14311	2167	17795	20569	9076	24544	27497	26046	13546	21835	8766	19960	9106	1333	12248	21569	Lipid	0.35	1.4	0.0
26	C18 H28 O3 N4 S1	381.1955	381.19614	0.09370877	381.19553	3408	3379	5673	3091	6077	3277	0	0	0	0	0	0	0	5735	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	71728	0	0	0	0	0	0	0	0	3670	3100	2457	0	0	0	71898	0	4616	0	0	0	0	0	114957	0	19523	0	0	0	0	0	0	0	0	0	0	3379	0	0	0	0	0	0	64449	354509	2011	55445	14185	0	0	0	0	0	0	0	3261	0	4141	2561	31557	0	0	0	0	0	204811	0	0	0	Peptide	0.16666667	1.5555556	0.22222222
28	C18 H28 O3 N4 S1	381.1955	381.1956	-0.08633626	381.19547	3582	2404	2288	2521	3501	2136	0	0	0	0	0	0	0	2706	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1411	0	0	0	29322	0	0	0	0	0	0	0	0	2863	2225	0	0	0	2349	69439	0	1339	0	0	0	0	0	81690	1018	12908	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68103	182759	2117	18316	6736	0	0	0	0	0	0	0	2880	2875	4022	4685	33650	0	0	0	0	0	159532	0	1074	0	Peptide	0.16666667	1.5555556	0.22222222
22	C22 H29 O4 Na1	381.20364	381.20413	0.17708384	381.2037	2615	1741	0	1634	0	0	0	1789	0	0	2156	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2272	0	0	1722	0	0	0	0	1552	0	0	0	0	0	0	0	7683	0	0	0	0	0	0	0	0	2200	0	0	0	0	0	3158	0	0	0	0	0	0	0	10101	0	3878	0	0	0	1917	0	0	0	1137	0	0	0	0	0	0	0	0	0	2296	19030	0	15869	2639	1368	8449	28181	0	0	0	0	0	1319	0	0	11184	0	0	1602	0	0	4913	0	0	0	Phytochemical	0.18181819	1.3181819	0.0
26	C24 H28 O4	381.20602	381.20645	-0.15665215	381.20596	83786	81829	85701	71689	87672	49575	40723	91422	68889	84790	130719	45670	69120	53784	56051	87137	61626	76081	116490	137359	140286	85198	57552	94620	68495	355246	37686	134776	84411	86619	72868	65854	87042	64569	109535	97249	91685	50160	66982	111713	118457	71660	0	0	0	71396	65657	0	77377	79529	84807	71698	73904	0	65826	62180	50997	92693	60257	52125	82366	73157	63136	56523	37751	95412	92750	79542	317791	206389	262293	76773	63524	86476	62419	77165	0	52337	67245	84664	56838	65270	65056	101779	85066	48829	85228	57955	73358	74209	64046	71541	106918	92317	73350	0	88884	92720	59353	80085	87833	103633	44223	93487	62341	67460	64388	0	63447	60167	Phytochemical	0.16666667	1.1666666	0.0
24	C21 H32 O4 S1	381.2094	381.20984	0.41897374	381.20956	16922	30348	14926	18071	19139	14913	6840	11499	12050	22539	9700	6888	22985	9022	8576	30830	11388	15976	21326	21399	21394	15716	6916	14927	13188	14878	5361	15661	14092	8372	9998	13097	17786	13120	22139	11014	15470	8531	8317	18403	40542	27858	0	0	0	18389	15651	0	15366	8767	35170	17285	32690	0	20033	13417	6507	17806	15314	12283	19110	10318	16889	10999	8502	26050	20275	12475	17492	23691	20167	11829	12205	7756	8297	8911	0	6305	12351	17399	7137	12915	10889	20418	13629	9252	15198	11840	12286	21339	51759	78602	21330	26896	22751	0	17568	21017	11520	17512	22333	14791	6504	20586	11406	10704	10724	0	9671	15865	Organosulfur	0.1904762	1.5238096	0.0
12	C17 H32 O9	381.2119	381.21265	-0.18301068	381.21185	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1334	0	0	0	0	0	0	0	0	1164	1068	0	0	0	0	1427	2185	0	0	0	0	0	507	430	492	0	0	0	0	1313	0	0	0	294	0	0	0	0	0	0	0	0	0	0	0	0	915	0	0	0	0	1375	0	0	0	0	342	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2092	0	0	0	0	0	0	0	0	0	0	0	0	31538	0	0	498	0	1198	Lipid	0.5294118	1.882353	0.0
8	C18 H28 O5 N4	381.21326	381.2136	-0.3841381	381.2131	2462	3634	3896	3062	1734	4311	3862	3876	0	0	0	0	0	0	2202	5428	3232	0	2166	0	1932	0	1604	6332	3784	0	1784	0	3758	3442	5836	4042	0	2906	2422	3780	4554	2510	2554	0	0	0	0	0	0	0	0	0	4210	2824	3452	4112	0	0	0	0	984	6022	0	0	0	0	0	0	0	1822	2118	4562	0	0	0	4802	1392	2792	2322	1876	0	1706	2444	6510	1714	0	1458	0	0	0	4526	0	1718	10336	24958	0	9760	0	0	0	2654	3202	0	0	0	3730	2550	4624	0	2586	0	0	4934	0	Peptide	0.2777778	1.5555556	0.22222222
0	C18 H28 O5 N4	381.21326	381.21378	-0.32381904	381.21313	0	0	0	0	0	0	0	1326	0	0	0	0	0	0	0	0	1507	0	0	0	964	0	0	0	0	0	0	12782	1982	0	0	0	2105	0	986	0	1744	0	1398	0	0	1814	0	0	0	0	0	0	0	0	0	0	0	0	655	0	0	2127	0	0	0	0	0	0	0	0	0	2102	0	0	0	0	0	0	0	0	0	0	0	55574	0	0	0	0	0	0	1264	0	0	1480	25614	8546	1638	2934	0	0	0	0	0	0	0	0	0	0	0	1191	0	0	0	0	Peptide	0.2777778	1.5555556	0.22222222
22	C25 H32 O1 S1	381.22467	381.225	0.025400406	381.22467	0	0	0	0	0	1163	0	0	0	0	0	0	1769	0	0	0	0	0	0	0	0	0	0	0	0	0	4625	1532	0	0	1607	0	0	0	0	0	0	1717	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2114	0	2135	2490	0	0	0	1406	0	0	0	3483	0	0	1306	0	3550	0	1953	0	0	1223	0	0	0	0	0	0	0	0	2555	1551	7331	0	0	0	0	9391	20576	0	0	0	0	0	0	1590	0	0	0	0	0	0	0	5192	0	0	0	Organosulfur	0.04	1.28	0.0
26	C21 H32 O6	381.22717	381.22757	-0.15548716	381.2271	84150	70765	80739	86530	81414	59412	89488	90007	76935	70782	44952	30133	127207	71516	78775	95721	48680	113313	151666	108326	86852	100245	47757	67807	80088	36997	81371	77910	108613	81337	78465	91537	124083	75913	111798	109124	137650	52095	58150	67737	34953	61759	0	0	0	55745	26761	0	90597	62527	73641	73086	79554	0	130832	79082	50492	153335	96937	22752	113597	68916	97740	77806	41413	119067	101370	51866	30658	101125	53935	61992	68756	103363	40010	84302	0	52069	52079	42654	40651	49744	84551	56827	69390	56283	66863	45645	72178	59357	154926	154419	158778	45894	68234	0	81403	85041	51927	74416	86874	122246	41778	99238	97486	81963	58420	0	53482	90216	Lipid	0.2857143	1.5238096	0.0
28	C21 H32 O6	381.22717	381.22754	-0.23403008	381.22708	9358	8963	9454	9154	10408	6390	36348	10200	7118	5715	4924	4100	11494	11302	8382	7854	18730	6834	14734	9100	7833	7658	6989	9250	9513	12752	29283	7619	12476	9961	8528	11199	13572	9926	7872	13092	13589	7081	15719	5258	7272	6605	0	0	0	7791	7664	0	10807	7642	8451	9149	7570	0	11645	8001	5413	12415	8624	7933	12709	3953	8448	7976	7859	15011	14867	16795	4622	7395	5789	6740	7649	11433	5996	9901	0	4959	9471	17714	6178	8466	14622	13137	9211	6508	15254	5336	6880	10881	16206	17581	9837	13901	7435	0	9722	9582	6480	7886	9329	17909	5310	11893	9926	11876	6765	0	7965	10076	Lipid	0.2857143	1.5238096	0.0
24	C23 H33 O3 Na1	381.24002	381.24057	0.08109596	381.24005	0	0	0	0	0	1353	0	1535	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15368	0	0	0	0	0	0	0	17609	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47438	0	9873	0	0	0	0	0	0	0	0	0	0	0	0	11422	0	0	0	0	0	10424	0	0	0	Lipid	0.13043478	1.4347826	0.0
20	C25 H32 O3	381.24243	381.24277	-0.26849443	381.2423	15926	18267	17162	17515	8859	4419	28456	11783	9697	5213	8660	17447	5806	10059	12569	23908	53052	4798	13522	9029	9340	8759	11613	14008	10203	10817	34341	8554	10472	17497	11940	19867	14960	7048	9590	16427	10709	20362	56710	5322	16166	8666	0	0	0	4074	8540	0	18113	16176	20132	19658	9967	0	12630	15748	12786	21646	8621	19527	13042	5333	6639	6244	15891	8718	10096	62961	12008	10870	20983	6131	9147	17764	40572	20184	0	11480	26750	11081	19383	6001	15334	0	27430	16883	32788	7920	11672	44802	16317	7265	15223	10983	4239	0	15686	16049	14732	28171	25785	19363	16453	14824	5191	14741	18101	0	20996	3156	Phytochemical	0.12	1.28	0.0
18	C25 H32 O3	381.24243	381.24283	-0.22294995	381.24234	2704	4291	2888	3508	2064	0	6799	4195	0	0	2147	3338	0	1860	3116	3428	15423	0	4894	0	2220	2108	2763	5422	1997	1557	8739	1565	0	4297	1708	4743	4147	0	0	3506	2514	4670	17725	0	2424	1448	0	0	0	1291	2275	0	3840	2893	2295	4064	0	0	2839	3747	2486	3186	0	5126	2178	1165	2313	0	2008	2281	1880	21355	2565	0	3021	1378	0	4729	10422	5921	0	1657	7433	1769	6574	2093	2735	0	4243	3760	8874	1593	1416	13185	0	0	3132	1628	2231	0	1786	2468	2644	7376	9959	3867	2718	3416	1412	3046	2438	0	6372	0	Phytochemical	0.12	1.28	0.0
20	C18 H36 O8	381.2483	381.24854	-0.30581278	381.24817	6000	4242	3957	2444	3297	4224	1955	0	0	3811	0	0	10081	12606	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8727	6130	1004	421	0	0	1313	0	0	3695	5535	4452	8455	1817	0	7190	0	0	0	0	0	4373	1886	19805	127206	355471	0	0	0	0	0	0	0	0	0	363	0	0	0	0	6505	0	0	2480	3838	0	3146	0	0	8414	0	0	0	0	874	0	5570	2637	0	2368	0	0	0	2028	0	0	1244	0	1562	Lipid	0.44444445	2.0	0.0
18	C18 H36 O8	381.2483	381.24857	-0.28242785	381.2482	2645	3565	0	0	2335	3107	0	0	1249	0	0	0	6655	9414	0	0	0	0	0	0	0	0	0	0	0	0	0	1759	0	0	0	0	0	0	0	0	0	0	0	0	0	3453	3664	1499	618	0	0	1199	0	0	3401	0	3542	11853	0	0	3190	0	0	0	0	0	4485	4290	13088	131073	195323	2377	0	0	0	1388	0	0	0	0	918	0	0	6457	0	0	0	0	0	2324	0	3371	2110	0	7995	0	0	0	0	1151	2127	0	1785	0	0	0	0	0	2111	0	0	1389	0	0	Lipid	0.44444445	2.0	0.0
20	C22 H36 O5	381.26355	381.2638	-0.28262398	381.26346	3045	2492	4902	3428	0	2840	38991	3851	1645	0	1773	1826	0	3756	2703	5010	11703	0	0	0	0	0	0	0	4249	5530	35774	3959	6285	6369	3893	6391	4118	6213	3293	7697	5036	2800	13692	0	0	3621	413	0	0	0	0	0	6271	2720	2160	4717	4697	0	0	2293	1983	3813	0	4197	3948	0	2939	0	6975	2757	6879	12024	1512	0	0	3465	5822	3681	18866	4659	0	0	4062	3626	2384	1295	41638	38304	1486	4315	10603	1644	5463	19584	0	0	3371	0	0	0	4304	5985	1820	1645	4989	4490	1920	0	0	3860	3361	0	5301	0	Lipid	0.22727273	1.6363636	0.0
22	C21 H36 O4 N2	381.27478	381.27512	-0.41255766	381.27463	0	0	0	1443	0	0	0	0	0	0	0	0	0	0	0	0	4390	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1210	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24407	0	0	0	0	0	0	1701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38732	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1904762	1.7142857	0.0952381
8	C21 H36 O4 N2	381.27478	381.2751	-0.063637406	381.27475	0	985	0	0	0	0	1715	0	0	0	0	0	0	0	646	1955	1103	0	0	0	0	0	730	0	3818	0	1534	0	0	0	950	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1161	0	0	0	0	0	0	0	0	3224	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	989	0	0	0	0	0	0	0	23235	0	0	34814	0	0	3030	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3478	0	Lipid	0.1904762	1.7142857	0.0952381
22	C26 H36 O2	381.2788	381.27908	-0.2806437	381.2787	0	1955	1595	0	0	0	4137	2180	0	0	1232	1268	0	0	2002	4611	18480	0	0	0	0	0	1180	0	2489	0	4479	0	1761	3702	0	0	2292	1834	0	5642	0	3080	16117	0	0	1684	0	0	0	0	0	0	2376	2711	1556	1535	1381	0	2585	0	3312	0	0	2133	1386	0	0	1124	2694	0	0	16356	0	0	0	0	0	2419	6939	3021	0	2079	2828	0	3577	0	0	0	3977	2965	9244	2032	2155	25236	0	0	0	0	0	0	2015	1325	2123	2299	2504	4352	2838	0	0	0	1808	0	4891	0	Lipid	0.07692308	1.3846154	0.0
24	C26 H36 O2	381.2788	381.27914	-0.22908966	381.27872	11446	7530	7381	6757	7386	1544	16640	11349	7251	1730	5482	10091	0	7286	10499	21619	44998	3101	7928	1891	2430	2666	6395	6430	16074	4980	18405	5924	7214	15158	10828	15299	10912	5448	4749	16281	6341	11528	49833	1006	6030	7340	0	0	0	2277	3193	0	13155	15669	8235	10756	7281	0	7489	7043	8144	12674	3058	7984	12524	1733	3141	5386	5246	3895	9769	47946	4080	2796	4490	4933	6957	23831	25870	15092	0	10038	15602	5318	9495	6856	6733	3781	8160	11939	33642	5382	7931	53987	6046	4310	10509	2410	2589	0	7725	9358	7239	12129	12544	14175	11603	5209	0	9401	12688	0	20006	0	Lipid	0.07692308	1.3846154	0.0
28	C26 H36 O2	381.2788	381.27914	-0.26112473	381.27872	7352	7008	7305	6848	7743	1651	13669	9189	7090	1087	6274	4885	2786	5147	4698	9352	19678	1992	7455	2690	0	3244	4851	7179	16315	9594	11864	6533	8419	16537	7351	8616	9367	5914	992	15155	5889	10251	16309	2442	3664	6192	0	0	0	3321	0	0	9203	11915	8437	6469	6700	0	7355	7506	4799	12441	4356	3220	6727	2160	2080	3344	4696	5604	9015	17530	4722	1311	2833	3167	3959	15737	8940	10988	0	4570	13750	7621	6839	4793	5794	4143	15121	7166	30655	4131	5645	22483	4133	6576	5966	6359	1944	0	6454	7111	7873	19632	23811	14861	4677	6759	3024	8251	12974	0	12752	1330	Lipid	0.07692308	1.3846154	0.0
24	C23 H40 O4	381.29993	381.30017	-0.24214187	381.29984	0	3371	3262	2586	0	0	114523	0	0	1429	3983	0	0	29794	1385	0	4089	0	0	0	0	0	0	0	0	10348	98222	8758	0	0	0	1209	0	0	0	0	0	1234	7663	0	4526	1359	0	0	0	1165	1171	0	0	0	1032	2220	0	0	0	2248	1935	0	0	3812	4368	0	10173	0	16562	2441	6340	4320	0	0	3198	0	946	2004	0	0	0	0	0	7382	0	4122	24196	22797	0	0	2351	0	1399	5727	6454	4135	0	0	1805	0	2693	2762	2791	0	0	0	907	3424	1941	0	0	0	0	0	Lipid	0.17391305	1.7391304	0.0
26	C23 H40 O4	381.29993	381.30023	-0.24954525	381.29984	18254	14076	17609	16427	5684	5237	481059	0	0	4577	36293	4520	0	106294	0	5048	12870	0	4256	0	0	5651	5337	0	6646	41671	421249	62277	6203	8654	4758	5899	4968	6506	3487	11245	3090	10069	16867	3912	18964	7102	4906	0	0	7660	8031	0	6201	7670	14396	14674	4523	0	0	12929	14172	5514	8148	23938	31651	7309	29164	3837	80402	6847	18394	9716	17986	6995	15415	3905	4316	25986	0	8475	0	4906	4900	37869	4645	29910	55924	64249	0	0	13604	3443	5588	10391	31765	21077	4486	10524	0	0	17488	16248	16812	2836	5107	0	6720	21614	18231	5147	0	0	6562	6797	Lipid	0.17391305	1.7391304	0.0
28	C23 H40 O4	381.29993	381.3003	-0.21497086	381.29987	7726	6548	8457	6275	5460	4684	112456	8834	4096	2543	27117	5436	4426	21967	6810	6103	8903	4775	3884	8009	7564	4445	7630	5795	7498	15040	69787	138162	9542	7300	5635	8750	7545	6287	4662	8526	5396	7549	10041	3456	7723	6561	4638	4076	9745	8016	7173	4783	4954	7134	6085	6325	5975	13488	6658	10684	7347	5633	9368	8624	10412	7801	7796	4213	20777	6731	9049	7698	12633	5216	5340	5798	6249	10292	5228	6100	10000	8560	4296	53482	4562	10985	12674	13662	5494	7624	7030	2490	3633	6784	25747	21898	6233	15166	7238	4982	5905	8424	6941	3650	9431	7488	11171	11445	19351	4246	2922	3968	6325	3743	Lipid	0.17391305	1.7391304	0.0
26	C24 H44 O3	381.33633	381.33612	-0.35782662	381.33618	0	0	0	0	0	0	39317	0	0	0	4154	0	0	24308	0	0	0	0	0	0	0	0	0	0	0	5895	42332	4545	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29846	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3195	3461	5444	0	0	1634	0	0	0	0	0	0	0	0	0	0	0	4172	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.125	1.8333334	0.0
4	C21 H12 O3 N1 S1 Na1	382.05084	382.05157	0.27747372	382.05093	0	473	490	615	0	97290	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39168	0	0	0	0	0	0	0	0	0	0	837	0	0	0	0	0	0	0	0	0	0	0	0	0	9955	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	755	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14285715	0.5714286	0.04761905
16	C16 H15 O8 N1 S1	382.0591	382.0596	-0.083977096	382.05908	3324	3006	1793	5344	4249	3931	1063	0	3353	9317	5302	1362	10029	1464	0	2725	0	7255	5778	3245	3302	20806	1976	2060	1708	3920	0	3352	0	0	1485	0	2001	0	16864	0	1722	1253	3003	11382	11660	1579	0	0	0	4725	4670	0	0	0	3154	3288	3172	0	2978	2156	1225	0	2263	0	0	8206	5532	5341	0	4624	2007	1353	3055	3534	4904	0	0	0	0	1263	0	1203	2180	11398	0	4422	0	5282	7221	1737	1770	1391	3190	0	4246	7546	0	18486	22696	0	3660	2125	1102	2286	1720	0	0	0	0	0	2308	0	1382	8042	Organosulfur	0.5	0.9375	0.0625
14	C16 H15 O8 N1 S1	382.0591	382.0597	-0.04689452	382.05908	5099	2611	2891	1371	3711	2082	0	0	2602	13294	7574	1239	8031	0	0	0	0	5391	3639	4582	8688	11297	1193	4173	0	3008	0	0	0	0	0	0	1730	0	17177	0	0	0	1720	11826	11562	1649	0	0	0	5983	7119	0	0	0	4714	0	2336	0	3517	2535	1956	2392	0	0	0	9733	3955	2898	0	6825	2047	1517	0	6348	7232	0	0	0	0	0	0	0	1843	0	2567	5497	0	5979	7020	0	1462	3838	1179	7472	3100	4566	4339	19050	24249	0	3358	4588	3291	4810	2110	0	0	0	0	3280	4443	0	1795	8787	Organosulfur	0.5	0.9375	0.0625
16	C16 H15 O10 N1	382.07687	382.07736	-0.095249906	382.07684	20937	17458	19204	18296	38169	23152	3669	5223	50255	16653	16697	10926	90451	14572	9305	9708	10500	52334	47424	13164	33909	38011	17454	10455	2303	1402	3023	3068	4322	3970	3583	0	10799	4618	28894	3026	13673	11715	6705	13387	28320	22003	1223	0	360	11494	27672	604	7532	4711	19198	24815	27119	0	46426	38426	19608	6930	4236	8105	8697	17166	78305	51585	14051	45462	20785	10123	7151	1974	6869	4732	3863	2035	8182	4373	0	6648	13771	23310	13625	11211	3010	2945	40696	20490	14437	25498	21255	0	6328	11102	0	48469	29497	0	17240	17025	21992	34499	43391	13902	4939	4867	12701	12216	29352	0	4528	68223	Phytochemical	0.625	0.9375	0.0625
18	C16 H15 O10 N1	382.07687	382.07733	-0.057246935	382.07684	6730	9630	12526	9583	16796	15373	3431	3518	22292	8631	6434	5858	51844	12522	8341	4238	3519	35952	29009	3977	9107	26669	13081	8123	0	1451	5465	0	0	2964	2685	0	7564	4768	6122	0	5939	8218	3776	5096	16040	13199	824	0	361	4944	15240	430	4583	2743	8917	12557	19727	0	35056	26999	13929	9504	3509	6192	8081	7521	48694	29064	12316	27853	12716	4605	2089	2155	2822	4739	2604	1327	5304	0	253	4874	13077	14685	7691	6246	1318	3989	29586	14034	5690	18801	13120	6146	0	9945	16481	21894	15601	0	12681	10627	12041	23474	23835	4686	6379	4060	5481	11372	17399	0	3913	48126	Phytochemical	0.625	0.9375	0.0625
20	C16 H15 O10 N1	382.07687	382.07736	-0.05974217	382.07684	3984	4405	5769	3954	11993	6424	0	0	7721	3057	1810	2491	23167	6138	4566	2329	3104	13070	12335	0	3851	11581	6121	0	1538	0	0	0	1420	0	0	0	2197	1476	4570	0	1880	2096	2408	1583	4206	2409	878	0	360	3808	7848	1130	0	1880	2022	8534	8907	403	14712	12314	4211	0	1798	2260	1504	4010	19851	13960	2456	12255	5772	1633	1710	0	0	0	0	0	0	0	359	1406	2538	7222	2937	4193	0	0	18161	3396	5871	4294	5507	1664	0	4009	2981	11436	7081	0	2513	3831	4773	10134	11753	4523	2155	2088	3291	2589	11107	0	0	31687	Phytochemical	0.625	0.9375	0.0625
12	C16 H15 O10 N1	382.07687	382.07736	-0.093265526	382.07684	18960	27701	22610	22241	37944	15512	4543	6269	50617	32521	39786	11207	71761	10904	8600	9041	15991	46920	47257	23476	49443	57511	21378	12216	2893	0	3746	0	4547	5419	6066	5579	14747	6616	57162	4975	16235	9162	11272	21612	66527	20139	353	0	0	11545	36515	372	6073	5058	23460	27275	32319	0	67830	49710	20912	8327	6448	16585	0	31833	100707	63660	13999	53976	20498	14951	0	3402	7330	5650	7065	3164	8638	3353	0	9251	17583	26649	11788	13250	3477	3351	44485	15000	16933	21030	20677	33331	4629	15467	22093	72132	32921	0	21512	23638	33823	53635	47505	19456	11881	5069	0	16420	37407	0	6369	94147	Phytochemical	0.625	0.9375	0.0625
8	C16 H15 O10 N1	382.07687	382.07745	-0.096623145	382.07684	13292	9662	7964	8924	15692	5214	1589	2285	22843	11236	12037	4557	30100	2061	3374	3080	5134	17753	20717	10129	20371	20572	6465	4053	0	519	2573	0	1056	0	2998	2143	5649	1496	20292	1998	4003	2695	3949	7855	24075	9362	0	0	0	3211	11254	0	1971	1273	11211	11999	11433	0	24744	23961	9851	0	1721	6705	3834	10240	52100	31966	9559	23313	7581	6175	0	0	2933	2299	2114	851	3020	2317	0	3152	7913	4439	4928	2157	0	0	22463	5306	4730	10458	9663	9512	0	0	4964	22939	13844	0	8435	8696	19304	28195	23550	6048	3136	2639	0	5700	15154	0	1132	42103	Phytochemical	0.625	0.9375	0.0625
14	C16 H15 O10 N1	382.07687	382.07736	-0.08390132	382.07684	18103	28619	23926	26994	35938	22428	5981	8864	56596	37216	23463	12818	99044	18995	10658	11954	18266	54307	54652	11936	49994	70708	22904	12951	3535	1780	6201	8997	7084	4433	7496	0	16636	5825	46715	5503	15883	12789	8465	17143	52700	22599	0	0	0	12752	36144	381	5465	6851	22366	22335	33143	0	63666	51489	23586	8357	5601	13604	0	28322	103999	72263	20012	58236	22255	14921	0	2358	7448	6378	4353	4188	9832	5270	0	10041	15117	40915	14293	14993	3283	2539	51766	16820	19490	31440	25876	28155	0	16080	28652	76719	38810	0	24959	19866	25806	47906	42210	15415	12264	7847	15286	22653	32093	0	5720	85316	Phytochemical	0.625	0.9375	0.0625
10	C16 H15 O10 N1	382.07687	382.0774	-0.11285741	382.07684	19431	17759	14644	19415	27361	15423	2334	3895	37264	24797	27693	9519	59348	8549	6142	7105	8902	34639	35483	19384	39634	41568	17977	6136	1851	0	2351	5611	2810	1737	3634	6316	15991	4744	42220	3158	11779	6444	9100	16938	48219	14857	0	0	0	8333	24551	0	5306	4471	19103	19946	20485	0	47467	36221	12662	7021	6335	10814	0	18109	69912	54014	15200	40984	16391	9905	7282	1821	5955	5788	3984	1680	6237	4566	0	5531	9998	23036	8008	8526	2294	2674	36523	10369	8215	19170	15950	19535	0	6851	14661	51241	28862	0	16993	18583	29651	40799	34573	9412	5857	6424	21117	10834	23486	0	2170	63875	Phytochemical	0.625	0.9375	0.0625
6	C16 H15 O10 N1	382.07687	382.07748	-0.061332222	382.07684	2055	3344	2067	3732	6440	1570	584	795	8859	3515	4430	1438	13651	1142	570	2532	0	7701	7464	1970	6399	6451	1554	0	0	0	0	0	671	859	936	0	1836	781	6239	0	1487	782	1053	0	3504	2743	0	0	0	1649	3272	0	0	0	2607	4126	3638	0	10973	8907	2522	809	0	1295	1340	2911	21360	11364	3985	10511	3502	0	0	0	0	1419	0	0	1340	893	0	782	1192	0	941	1012	0	0	7435	2626	1942	3076	3818	0	0	0	1458	3685	2952	0	2305	2743	5963	10247	7274	2180	974	0	0	1462	4635	0	0	19853	Phytochemical	0.625	0.9375	0.0625
16	C17 H16 O4 N3 S1 Na1	382.0832	382.08408	0.6073655	382.08344	7935	5175	10024	7451	16373	13186	1930	48870	23349	11901	8669	14327	46574	6921	14046	146832	0	32563	22132	5779	9218	12231	5602	7566	2783	0	1964	0	1797	4834	25421	0	4910	4560	13846	3654	4454	8304	2471	8895	6357	5907	373	0	0	5177	6251	0	4077	32590	9776	10544	11792	0	25760	16248	7447	57956	5148	0	110622	5417	43520	26269	5946	22956	9766	3182	4531	0	5579	27518	2751	4503	11802	1742	0	20469	5703	8347	5818	7790	1743	1946	21326	4145	6601	7399	7966	0	0	5874	0	13053	5677	0	6973	10711	15297	16203	14833	4368	14045	2238	6215	18843	14556	0	1310	41656	Peptide	0.23529412	0.9411765	0.1764706
20	C20 H15 O7 N1	382.09213	382.09253	-0.10509992	382.0921	7936	9793	8526	6038	5924	3856	5546	0	7291	24548	19353	1508	7421	4466	0	5788	3350	7662	7394	12763	27436	29570	1479	2572	1446	28820	1523	15858	1805	1521	1512	0	2223	1606	31626	0	4324	1477	5802	19998	36214	4377	0	0	0	13376	31835	0	2368	0	7431	9943	6458	0	6535	6548	4288	2731	3464	6124	3133	17080	11691	8226	1283	7531	6739	3794	32842	37207	57775	0	2070	0	0	1717	0	3209	7450	28051	5134	14407	1554	17804	7343	2507	9661	6306	3752	9892	6886	8140	6085	33259	33236	0	7637	10822	6580	8581	6404	5433	2459	6171	13499	4955	6981	0	3519	7730	Phytochemical	0.35	0.75	0.05
14	C20 H15 O7 N1	382.09213	382.09265	-0.019151306	382.09213	2657	6320	3780	3422	4253	3327	0	0	5085	19116	15724	0	4365	2806	0	0	0	3759	1902	10350	14694	12284	1958	0	0	34296	1117	9773	0	0	0	0	0	0	21616	0	2671	0	2159	11451	19091	1572	0	0	0	6324	11986	0	0	0	3449	3502	2556	0	5432	3087	2601	2452	0	0	0	5794	8936	5207	1480	7740	1919	2799	48010	42292	60950	1122	0	0	0	0	0	0	6004	0	1407	6279	1196	6073	5923	3125	4583	1517	3203	4781	0	2404	2974	14242	21709	0	6169	2129	2435	5598	3960	0	0	0	0	2327	3774	0	1112	7235	Phytochemical	0.35	0.75	0.05
10	C20 H15 O7 N1	382.09213	382.09286	-0.003644089	382.09213	1739	0	1735	1543	1812	0	0	0	2622	5517	5042	0	3267	0	0	0	0	1872	2070	2961	6863	3800	0	0	0	8520	0	0	0	0	0	0	0	0	12323	0	0	0	0	3760	6781	994	0	0	0	2650	5869	0	0	0	0	0	1564	0	2004	1903	0	0	0	0	0	1526	1850	2625	0	3184	0	0	14540	12039	27691	0	0	0	0	0	0	0	1420	0	899	2422	0	2595	1506	608	906	1255	0	0	0	0	1987	3423	4959	0	1367	1439	2690	3000	2007	0	0	0	0	0	1696	0	0	1329	Phytochemical	0.35	0.75	0.05
12	C20 H15 O7 N1	382.09213	382.09277	-0.021625165	382.09213	2977	1695	2562	2538	2196	1834	0	0	3325	11872	7803	0	3163	1499	0	0	0	2205	3081	5529	9264	0	1850	0	0	19367	0	0	0	0	0	0	0	0	14349	0	0	1449	1737	5086	12523	1232	0	0	0	5227	7722	0	0	0	0	2115	2273	0	1997	2818	1714	0	0	0	0	5210	5061	2433	1992	2999	0	0	22469	29635	43893	0	0	0	0	0	0	0	1896	0	1208	3031	0	4420	5742	1383	1693	0	2017	0	0	0	2466	13011	8059	0	3116	3200	4984	2580	2285	0	0	0	0	0	1511	0	0	3759	Phytochemical	0.35	0.75	0.05
18	C20 H15 O7 N1	382.09213	382.09256	-0.066938795	382.0921	9697	10817	10177	10332	10124	2944	2742	3261	7438	35505	35182	1658	8500	6476	2969	3277	2085	7198	15414	18626	19346	23821	4760	3145	2044	50440	0	16934	0	0	1685	2838	4932	0	33362	0	4175	3835	7038	21254	41877	3631	0	0	0	13770	27057	469	3890	0	11992	11911	4899	229	6247	7520	3766	3453	3345	5846	3141	16028	11772	5422	3478	8135	4423	6147	51689	49485	83210	2064	1235	0	2581	0	0	1555	5588	32332	5826	14888	2173	18808	8227	3602	10511	8928	3298	7818	7611	10853	6642	41783	40121	0	9467	7183	9542	8179	10223	5237	1835	6637	8402	2449	6509	432	4657	6704	Phytochemical	0.35	0.75	0.05
18	C17 H19 O7 N1 S1	382.0955	382.09598	-0.001115125	382.0955	11653	9198	11348	11645	12355	7965	2105	2537	7298	36948	14532	2229	13556	4756	4171	5693	2892	13449	15101	23208	26714	44719	4562	5789	6227	16668	3316	18436	3498	1343	3178	2265	6157	0	38204	3108	7084	2570	3775	37776	29307	5487	264	0	0	13779	12946	0	3668	3549	12513	10416	6265	0	5167	7109	3776	6868	10105	6363	4464	21846	9920	7854	4055	8820	6307	4065	15511	33164	29857	1694	0	1957	2375	0	0	2177	4621	24162	0	9503	7269	23936	5316	3431	5734	4223	4901	8110	22639	32560	10918	34117	53844	0	9853	10243	4079	9398	6654	4505	2293	11421	14412	4126	5490	0	4008	15630	Organosulfur	0.4117647	1.117647	0.05882353
20	C17 H19 O7 N1 S1	382.0955	382.09598	0.014717231	382.09552	6942	5532	6886	7135	5590	4835	0	3251	2937	22240	7304	1199	8411	0	0	0	2646	4394	6097	9525	10056	17600	1657	2378	1997	9999	2526	5025	2568	0	0	1380	2696	1698	16358	2046	3044	2156	1576	18425	13689	3333	0	0	0	5539	6739	0	1584	0	3941	3578	2070	0	4340	2902	1946	1907	4725	4769	2133	12983	6529	2655	1963	5091	1325	2682	9978	12599	10178	1546	0	0	1717	0	0	1981	1845	10658	2521	3178	3370	12036	3990	3058	2893	3516	4124	2392	11240	10244	5066	15756	18350	0	7748	6230	3142	3419	3512	0	0	3411	3667	4361	3758	0	1942	6900	Organosulfur	0.4117647	1.117647	0.05882353
14	C17 H19 O9 N1	382.11325	382.11374	-0.0765358	382.11322	251515	253995	223176	242998	192254	170862	117703	185651	255888	601597	304778	132429	397418	105778	153777	177923	144635	366286	296218	456921	549354	650140	192294	217790	114161	122413	102531	167692	167066	156939	156656	182191	252225	146810	886183	161571	216028	151496	151159	452199	380001	156108	5667	1089	1142	270890	329729	923	161706	150648	229875	233983	195938	1344	393790	177832	118680	198388	239499	167038	240889	374431	375114	299536	109656	280659	176604	132223	252912	210614	254050	167633	145136	151542	138405	147771	969	135160	154685	294759	147304	199023	117863	171872	215954	136337	143581	161763	177369	176890	172746	247813	307674	410270	494104	2111	248593	259440	147797	183886	177282	228992	136862	251166	297527	199973	158439	1092	103969	401101	Phytochemical	0.5294118	1.117647	0.05882353
12	C17 H19 O9 N1	382.11325	382.11377	-0.0658569	382.11322	273048	278895	284678	280518	209159	171384	143917	235865	290126	634404	379718	161372	340251	90816	174751	208784	212455	375891	378231	519507	660897	673518	220380	229144	106566	135024	124733	201849	190612	166549	206883	192701	310916	176802	925475	180000	255019	168354	213377	530570	566740	179658	5960	620	435	333186	448618	1016	198906	198422	289028	280806	199902	1137	446980	198611	136619	223944	292839	245615	240187	442818	447013	334595	107290	284475	194304	220749	369061	269985	337809	209084	184492	169611	148819	162687	572	179123	170394	365780	160990	238693	131382	195084	214973	135895	167074	165430	193230	246672	166215	269525	309430	460282	469027	1531	293707	309505	189011	174082	170347	277818	166189	241563	290075	213984	190885	372	118475	504884	Phytochemical	0.5294118	1.117647	0.05882353
4	C17 H19 O9 N1	382.11325	382.1139	-0.17249905	382.1132	8072	11127	7096	10258	9624	6829	2863	6994	14508	11149	13108	6508	19131	7299	4234	8108	10321	13932	13013	9499	16343	17045	7164	7391	1629	3656	3758	3426	3721	4778	5527	4430	8396	3822	16789	5201	8196	4500	12639	9798	17547	6603	0	0	0	6788	13070	0	6433	6307	7582	8631	7786	323	12962	14450	5591	5614	4851	9066	7163	7030	24287	14289	7668	13056	7141	9743	7508	4810	9010	6055	5330	4900	2570	5051	239	3881	5246	0	5326	4405	3392	3725	14910	7146	6237	8044	7103	13992	1789	5383	12840	10699	10253	0	8061	10410	10950	18439	15365	7667	4574	7924	6710	8092	9141	0	3355	27793	Phytochemical	0.5294118	1.117647	0.05882353
16	C17 H19 O9 N1	382.11325	382.1137	-0.13358563	382.11322	152367	140659	160881	161620	143696	114083	69200	110813	166072	374667	170990	87852	290509	79337	108882	111722	90112	249160	217942	243844	303797	299588	130262	130136	71697	79930	62226	100889	96461	87803	98221	110949	136498	90192	471985	81437	150723	85332	78356	257364	211130	103660	6303	1197	1191	172572	191904	1589	113209	97335	148349	158918	127351	1222	213329	130633	89350	119445	120401	81283	140393	192332	241492	171672	72744	200579	119959	83094	162841	123325	143754	104953	86844	83114	83498	79839	1255	81141	116281	194454	90968	134272	74366	113433	165085	105138	102258	105765	119663	95500	119107	165546	159101	231314	284941	1721	149043	161531	109457	122042	141119	137374	80347	103854	128860	144318	125960	1808	73010	281859	Phytochemical	0.5294118	1.117647	0.05882353
10	C17 H19 O9 N1	382.11325	382.11377	-0.0699488	382.11322	251355	234849	216625	206003	164552	118448	105379	188091	229698	488990	314583	154053	320166	85841	128027	177580	163636	285153	281618	397712	536996	428239	168197	198084	64545	110408	112467	141853	149746	158537	147406	172161	228650	149790	665463	144889	222110	133506	205170	443401	543145	134229	5437	592	565	248028	356553	448	175748	170258	228830	249652	150045	809	320548	181120	102855	182259	204590	224377	206120	314639	326053	283001	96491	221686	154115	221524	260666	220436	310568	167214	159252	143181	158733	147347	0	127082	154196	187779	142568	185371	103763	148657	183456	109575	135700	137787	152595	198673	113619	184931	246267	362192	391799	1198	234118	241597	151986	160074	155750	223525	139718	231191	255273	181724	144738	536	94280	370703	Phytochemical	0.5294118	1.117647	0.05882353
8	C17 H19 O9 N1	382.11325	382.11383	-0.08948724	382.11322	132295	150856	106916	145256	87921	62971	51426	100023	137528	258694	183168	89217	181355	40557	77293	111910	108382	141073	165399	215370	305667	241247	101144	122183	35005	42128	62599	77437	82627	88992	82149	98728	121421	83101	343165	79364	110551	67357	133598	212082	352690	85407	2120	0	370	145504	241304	0	105786	93578	127748	138638	85370	438	179713	108083	67953	93569	97796	140559	111024	160913	225620	173628	62108	137188	85913	133243	143708	98627	185834	87689	93998	78957	74597	92154	0	69006	94163	98863	77159	92747	55774	81700	114997	59233	83322	90176	96495	144017	54027	117418	134056	192896	199743	593	131554	137546	103343	110287	102429	111505	77387	141396	101161	97429	96582	0	54358	220981	Phytochemical	0.5294118	1.117647	0.05882353
6	C17 H19 O9 N1	382.11325	382.11383	-0.12922902	382.11322	49929	53817	48087	49739	40384	24573	18936	35823	56747	92265	73334	33655	82556	18378	26057	44716	44418	66390	66182	70331	109047	91111	36142	46693	12454	16793	18139	27641	29729	30775	32424	39272	51105	31384	103697	31362	40131	25431	60347	54785	113296	32617	0	0	0	45860	79100	270	47951	35946	50312	56553	37656	290	69105	44475	24258	43143	31489	55530	42993	51570	102719	64805	23340	57228	40172	59397	45902	32513	61420	34074	35261	29124	20870	32793	0	23915	29594	24689	23657	28210	22499	22103	54924	29579	29541	42503	37681	57490	20567	36037	55886	63536	65110	0	50843	47735	36432	52474	51714	46114	31430	52764	44598	46110	38235	0	18007	105305	Phytochemical	0.5294118	1.117647	0.05882353
4	C16 H19 O8 N3	382.12448	382.12512	-0.18395425	382.12442	11527	12747	11021	9568	8188	5053	4625	10487	13544	7191	10098	9306	13734	2968	8559	11481	20356	12907	14019	8224	13815	17622	12995	12255	3465	640	5772	0	5451	6957	9660	7296	12082	8305	12902	7629	11746	7798	22563	9451	17577	7818	0	0	0	8420	19415	0	9859	10732	10886	11310	8492	0	15498	9842	6624	11116	7721	13708	10767	7986	19750	15594	13010	14366	8146	21163	2748	2329	4330	8660	7122	8506	5252	7888	0	8352	9967	4063	7136	5822	4586	3061	12661	8167	8421	12832	12571	24381	3849	6961	25271	10108	8636	0	10310	14187	9433	13972	11037	11747	8078	13826	10249	12861	9544	0	5844	23198	Peptide	0.5	1.1875	0.1875
6	C16 H19 O8 N3	382.12448	382.12506	-0.16912709	382.12442	31754	36732	26648	31944	17628	15970	16739	34236	30283	27272	26569	27398	36814	8045	25851	42923	38230	33756	46072	24585	40892	48191	32275	38675	11892	1652	16577	9687	29212	28833	31378	30273	43481	28263	33428	29729	37247	25387	50030	26183	49184	20446	0	0	0	30090	44919	0	35473	30507	32427	35099	20441	0	37881	18460	19496	33619	27270	34621	40217	24763	49802	33443	19479	34412	30934	55651	8067	6175	11036	30530	27393	24916	21378	25088	0	20173	24477	10136	20557	16043	15932	10083	26697	17528	23194	33460	30236	55230	16167	29983	66396	24671	24774	0	28266	34248	14209	21082	20210	37777	26216	37202	35172	44723	16823	0	20187	52471	Peptide	0.5	1.1875	0.1875
10	C16 H19 O8 N3	382.12448	382.12497	-0.22551332	382.1244	35169	25320	27325	29308	18575	16932	17593	39447	21883	17636	17176	24101	26536	8377	30645	35939	26416	27906	29165	13260	24707	48219	28252	37968	17003	2385	15360	11171	22345	27990	26615	27748	38681	26186	29860	23872	43668	24821	35044	25621	35747	22606	0	0	0	26031	34218	0	28307	29180	26660	29387	18868	0	29638	13664	13602	31711	39706	29572	41448	20824	32853	27088	16732	21705	23245	35352	0	10013	9728	26507	27047	23155	27874	21711	0	22526	29241	14680	19938	17219	14864	7979	17244	15944	26524	21871	27319	48167	15602	32171	55202	23870	21761	0	30022	28887	12840	12546	13486	28757	26388	28396	15249	38821	14283	0	23430	37478	Peptide	0.5	1.1875	0.1875
8	C16 H19 O8 N3	382.12448	382.12503	-0.19206001	382.12442	41134	43604	34564	40620	18320	18797	19498	44732	33654	30061	23313	34870	38773	8103	34654	41107	48722	37813	44728	31781	40020	62521	41644	45418	13321	2808	19845	11886	31640	29647	33585	39656	45796	30722	45201	34519	47600	27872	50921	39559	48949	29897	0	0	0	37857	46700	0	38082	35253	36304	37812	23135	0	44096	21489	23511	41593	39407	42762	45204	26385	47097	37873	24154	33680	24349	54768	6570	11232	16490	37540	36448	29016	32214	27206	0	28186	31717	17523	29495	20391	17278	11250	23214	20881	31618	30248	32320	65442	17759	53071	81479	31629	27995	0	39259	42464	19354	22366	16379	42184	31793	48621	24811	47519	24317	0	21672	51456	Peptide	0.5	1.1875	0.1875
2	C16 H19 O8 N3	382.12448	382.12515	-0.17522533	382.12442	6832	7364	6068	6086	10555	0	3491	6829	11920	3326	6069	5176	16847	3115	4443	960	7251	13646	11118	3312	8954	9232	7136	5115	1042	456	0	2515	6105	3194	6545	4715	10779	4755	7288	3652	6557	4876	8217	5148	10779	6830	0	0	0	3213	5285	0	5192	3654	5732	5955	8147	0	11782	6851	5038	7046	3266	6087	1592	3831	23287	12284	5674	14214	9948	10669	1272	1765	2571	4897	3700	2509	328	3992	0	4649	6095	0	4962	3013	2574	1450	9132	4588	5374	12056	9731	15947	2503	4597	15473	5117	610	0	6634	6423	7652	10032	8857	4883	5121	4071	4127	9373	5604	0	3769	20892	Peptide	0.5	1.1875	0.1875
8	C21 H19 O6 N1	382.1285	382.129	-0.24791785	382.12842	2333	2627	2734	2768	2337	1907	1166	0	3040	13837	10875	0	2912	2382	1064	0	2697	3210	2516	13648	18896	6742	1404	1964	1632	21397	1363	10730	1059	0	1835	1020	1064	0	15629	1003	2540	576	1567	7464	9695	1189	0	0	0	12459	10980	0	1431	965	3300	4135	1302	0	4151	1952	1315	2370	0	1558	0	4893	3452	2104	0	2447	997	1923	21599	27464	44214	0	1617	0	1424	0	0	0	2199	5205	1768	2279	0	8306	1526	0	2014	1491	1594	3495	0	0	2229	5805	9459	0	3754	3307	3135	2748	0	0	817	0	0	1401	0	0	0	2636	Phytochemical	0.2857143	0.9047619	0.04761905
22	C21 H19 O6 N1	382.1285	382.1289	-0.15212572	382.12845	11859	8410	6112	9536	6746	7093	2346	2169	5557	26953	31870	2285	0	0	1338	5129	3460	5096	4267	18793	25237	16711	1562	3015	2851	49959	2598	26579	0	2578	0	0	3448	1983	29358	3029	4784	2744	5058	29829	37929	2523	2616	0	0	16166	22102	0	2812	2358	9987	10247	5650	0	2929	3723	4227	2745	1317	5949	4063	15272	5975	2466	0	3012	4337	4045	46284	42102	72989	1145	1191	0	2639	2478	294	1354	5289	18828	3758	18217	3291	19766	4327	3760	5160	4756	3456	9185	3253	4260	7496	20779	17941	0	10972	6408	3711	3893	5619	4422	2380	4013	13625	2651	4168	0	4563	5172	Phytochemical	0.2857143	0.9047619	0.04761905
16	C21 H19 O6 N1	382.1285	382.12897	-0.13423443	382.12845	11685	14110	12291	13830	5623	5998	2589	4082	11231	55191	41904	3405	6918	5112	3674	9572	7302	6245	10300	39493	59801	19998	6884	5442	5101	96204	3782	36122	6339	4902	2374	5568	6516	4119	50670	3210	5212	2217	3887	36469	50508	5359	0	0	0	16236	27391	0	4456	4528	12635	12580	4963	0	5244	4445	4179	5751	4422	7202	0	20843	14281	6785	4288	9575	5612	5802	93747	116122	142860	4255	3234	1679	4787	3879	0	3276	9334	26965	4766	14419	2238	29035	6941	3787	9482	7235	5627	0	15007	12019	0	29767	36328	0	11446	10853	9161	4693	4621	8712	2554	10151	16028	0	3770	0	5373	12505	Phytochemical	0.2857143	0.9047619	0.04761905
10	C21 H19 O6 N1	382.1285	382.12897	-0.19707379	382.12845	4262	5565	5475	7211	3081	0	2245	2417	4551	24748	17124	1954	4272	4226	2239	3864	0	3263	5225	20088	27070	12431	1626	2428	2028	47810	2018	16242	2188	0	2519	2023	2048	1726	23026	0	3022	1695	3171	15364	16920	1016	0	0	0	10945	19365	0	1648	2135	5608	5789	1429	0	2567	2744	1141	2660	0	2958	0	7773	2705	3882	1758	4713	3196	3607	51826	54341	64084	2505	1657	0	2221	1829	0	1306	2093	10447	2591	7771	0	11303	3643	1022	4283	2886	2818	4251	0	3782	3882	14673	21201	0	7204	6650	4056	2482	3420	3714	2530	2642	0	3394	2079	0	1346	4185	Phytochemical	0.2857143	0.9047619	0.04761905
14	C21 H19 O6 N1	382.1285	382.12894	-0.18771632	382.12845	10090	8401	7623	6579	5079	4198	2630	2094	8156	29454	25317	3005	5510	3554	2122	4462	3875	8801	7286	31863	44145	12488	4458	3590	3139	64759	3915	26897	1329	2056	3134	0	3759	1402	38073	2119	1917	3963	6025	20136	38254	4155	0	0	0	13210	25938	0	4309	2040	7951	6769	4747	0	5756	3241	1381	4956	0	6057	0	11221	6738	4510	3030	5026	4535	5166	58780	79001	99433	2373	1273	3080	2503	3237	0	2792	4520	0	3319	8798	2769	14065	6537	3612	7206	1866	3191	7307	6151	5717	10238	15821	27002	0	9263	9584	4251	7507	6987	2797	2081	5523	0	3818	4490	0	4664	5892	Phytochemical	0.2857143	0.9047619	0.04761905
2	C18 H23 O8 N1	382.14966	382.1503	-0.21786389	382.14957	16839	15356	12434	13677	12189	36279	8537	12876	31518	17444	16152	12993	26718	7272	9163	4498	14210	17913	18870	12464	55866	21909	12523	11924	3360	4302	2363	11141	13433	8405	13135	12542	24088	11978	28617	12539	14632	8982	16352	13967	25019	14806	379	337	379	8978	15303	0	11673	9773	13002	15344	13316	392	17967	13443	7129	14344	8522	24802	5187	9171	46274	18248	7509	20887	15803	36358	8257	9042	15500	12266	14322	10348	2377	13146	484	9366	12609	7233	10964	8953	7357	5641	12100	7853	10704	13120	12827	17023	8625	13713	20984	18835	6115	0	13679	14773	10769	16182	14300	11639	10200	10448	10341	12684	9644	0	8340	28880	Phytochemical	0.44444445	1.2777778	0.055555556
6	C18 H23 O8 N1	382.14966	382.15024	-0.14683168	382.1496	179418	204502	182074	181482	104940	98382	95694	208432	143270	361388	99012	123298	212944	28051	134608	202870	161750	178324	199688	285550	378552	300104	147790	217080	77298	53078	90018	57174	167032	167252	163402	182568	218846	154802	451934	172796	198248	61104	104046	217588	309874	108426	1273	425	582	101882	277672	306	202226	169872	191368	195946	113438	788	202090	55917	68380	183792	164600	199524	205956	83580	213480	75754	73802	173738	116050	230218	75521	82875	108112	152696	159172	149290	45570	153910	516	52742	119256	46155	106900	133012	113320	47274	61240	46465	117854	103354	115980	200154	67427	101428	113193	184446	247892	790	185528	190664	41956	59213	66926	215616	114904	238616	77342	92517	93936	342	81454	230214	Phytochemical	0.44444445	1.2777778	0.055555556
10	C18 H23 O8 N1	382.14966	382.15018	-0.13439673	382.1496	825224	375234	743310	676402	183198	176476	476666	982224	233589	711029	332917	544836	299310	115038	299134	401640	301836	347819	362274	763290	763818	1148570	318354	954218	231672	418420	461544	266115	403774	420456	738968	799800	472432	715996	879931	389914	459479	262177	703460	669657	1076358	209437	8624	1359	1380	481421	453085	937	798498	808192	773446	840078	200032	2272	344513	186617	128332	810152	432691	351813	435229	737238	273147	268249	129458	238254	196504	673364	448826	530105	512246	839594	752938	820774	277290	755932	1045	266414	553834	242956	549192	637454	620846	283299	212231	153100	478344	362810	222746	596694	254202	356990	981440	354903	1071854	2882	795416	403490	160216	150237	174840	834898	274426	532755	316103	687418	170610	1257	456354	339049	Phytochemical	0.44444445	1.2777778	0.055555556
4	C18 H23 O8 N1	382.14966	382.1503	-0.15588012	382.1496	51708	66534	59368	29499	22749	26609	12231	28931	57452	47034	32734	35602	102354	14444	39988	27928	67168	61232	66106	39369	53999	103888	44918	58446	11316	14555	12608	14639	20943	20906	22376	22039	70958	17319	63601	24974	33193	35204	94034	38155	45909	23574	769	374	875	32820	46084	366	24836	26236	27828	47166	20545	550	70728	69126	14500	54462	23065	66772	52910	24916	86424	61936	12899	72148	37138	36663	26543	19862	31951	42556	40834	46636	11100	36990	512	35720	41990	25729	42150	19959	15998	13940	30668	17226	41124	20709	23400	28886	20144	56190	71208	37068	42861	955	54524	66234	22126	39942	32913	67210	31526	36677	22364	44762	22267	426	27392	100372	Phytochemical	0.44444445	1.2777778	0.055555556
22	C16 H23 O4 N5 S1	382.15436	382.15475	-0.25216472	382.15427	2105	2462	2093	1756	0	0	0	2431	0	0	2670	1645	0	0	4987	2031	1450	0	0	0	0	0	3321	0	1548	0	0	24306	0	1056	3589	0	0	0	0	0	0	7527	1503	0	0	0	0	0	0	0	0	0	0	4602	2076	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1658	0	0	0	0	0	1737	1380	0	0	0	0	19179	0	0	0	0	0	0	9437	0	0	26033	72984	15621	5505	2099	0	0	1357	1617	0	0	0	0	2524	0	0	2490	0	0	2001	0	Peptide	0.25	1.4375	0.3125
20	C22 H23 O5 N1	382.1649	382.16528	-0.18625498	382.16483	12174	17671	18077	16838	7332	8432	5538	9484	6299	39195	46486	4251	3958	7965	7319	14522	9691	8274	9867	40711	45595	17013	4400	8927	5646	97831	6008	51759	8462	6139	6329	6741	9524	11827	31787	6928	7219	2962	11170	39373	60971	10256	410	0	0	17603	34531	0	9904	6427	17726	13236	7951	0	2298	4385	7137	10086	4737	15812	14273	21321	4785	4400	5479	7817	9682	13816	83259	92283	124701	6370	7475	4192	9026	6756	0	3712	9750	29120	7340	14533	9981	36224	8353	4051	12334	12836	7335	26501	15466	14018	19080	24401	29110	0	13748	14092	8368	4193	7284	13407	4544	13942	16272	14305	8899	0	6841	7779	Phytochemical	0.22727273	1.0454545	0.045454547
6	C22 H23 O5 N1	382.1649	382.1654	-0.34116733	382.16476	3452	3817	3464	3002	0	810	946	8661	714	5488	4319	5110	0	924	1431	4338	2575	0	0	11503	9782	1221	915	1322	1257	11993	1020	2897	9110	17106	14240	11958	5023	11480	4006	11478	5262	1388	2275	2864	2485	0	0	0	0	0	3874	0	22607	8265	4037	3915	784	0	1146	0	613	2330	0	0	3738	1703	578	0	0	0	1563	1453	8550	10062	13056	13000	5923	2968	5695	6577	0	3802	1167	3747	0	1036	304	3024	732	0	0	1278	2412	3565	0	1563	1984	2001	3473	0	3245	2571	772	0	0	4722	4140	0	0	992	0	0	629	1070	Phytochemical	0.22727273	1.0454545	0.045454547
18	C22 H23 O5 N1	382.1649	382.16528	-0.24514976	382.1648	16841	15156	11541	7419	6928	4108	4510	5305	7169	32213	37527	6148	2370	8112	4506	10375	8826	4007	5271	35539	35805	16458	5556	13030	6935	85511	2967	33725	4723	3990	3353	6315	11094	5127	38676	5595	8525	3343	11126	34100	49376	4934	0	0	0	12623	19006	0	10596	3480	16651	12353	6299	0	0	3247	4652	12446	7326	11367	11626	18098	5434	2106	2117	6508	4747	9757	79153	88977	126930	6388	3676	5603	6966	6714	0	4717	10238	22409	6403	10444	9789	25104	3622	4148	12948	6200	6729	24435	13759	11475	18366	16263	26562	0	12270	13584	8667	2172	6368	6791	5238	14254	8016	9041	4256	0	8503	5730	Phytochemical	0.22727273	1.0454545	0.045454547
22	C22 H23 O5 N1	382.1649	382.16528	-0.16967818	382.16483	11774	12458	10948	13371	4818	7886	1797	6134	7773	34639	41537	5234	3454	0	2772	9948	7147	8784	5416	27875	38904	15193	2333	10962	8636	82520	3660	42834	8048	6838	6046	5487	11639	8503	32207	7756	7836	2900	10883	31942	46810	7257	0	0	0	18620	28808	0	7191	5565	10473	13858	7831	253	1429	5058	3435	10389	5568	13152	10094	22175	5674	2880	3759	7082	10317	9868	78406	71130	106644	4747	4909	2951	2294	6221	0	4723	5860	21527	7137	14608	5430	28264	7271	4793	12781	10089	8856	17244	10084	12217	13561	18206	17850	0	12462	12998	7346	4923	5404	12714	2992	11915	14209	9613	4714	0	6674	6842	Phytochemical	0.22727273	1.0454545	0.045454547
8	C22 H23 O5 N1	382.1649	382.16537	-0.28661853	382.1648	2199	2950	3376	3018	1270	1379	1429	1882	1172	10292	7617	0	0	1166	1283	3233	2930	1355	2337	13836	12106	1636	1449	2506	2283	24827	0	7668	1656	2100	2124	3153	2705	2486	12790	2418	2658	2078	2786	8115	7630	1752	0	0	0	3624	6974	0	1987	3855	2688	3640	1248	0	0	726	996	3892	0	1395	0	3467	0	1212	0	1506	1464	2902	21939	25024	35377	2214	1657	2204	2070	1603	0	1343	1582	3230	1300	2015	0	7731	1119	0	2640	779	1499	3589	0	0	3054	3048	8865	0	4606	2698	0	979	0	3920	802	0	0	2424	0	0	1817	0	Phytochemical	0.22727273	1.0454545	0.045454547
22	C19 H27 O5 N1 S1	382.16827	382.16867	-0.0629676	382.16824	2370	5140	3980	4461	3014	2848	1634	0	0	10593	7809	1799	0	0	0	3250	4548	0	0	13251	16523	11914	2198	2376	3313	11754	1812	11374	3979	1306	1386	0	1500	2572	12651	2523	1970	1128	1880	12443	14728	1730	0	0	0	7308	6266	0	2143	1691	3533	3218	3764	0	0	1788	1215	2886	9287	6607	3445	8553	1575	1611	0	5602	4505	0	13724	14351	15806	1547	0	1561	1674	1611	0	2007	2291	10327	0	6112	5607	10429	0	0	6625	2152	2318	2253	15680	21694	5894	11195	20018	0	6058	4772	3169	1510	0	2599	0	3530	8254	2599	4034	0	1372	3120	Organosulfur	0.2631579	1.4210526	0.05263158
4	C15 H27 O10 N1	382.17078	382.1714	-0.22593091	382.1707	2918	2775	3292	3050	15278	61165	0	2422	0	0	2507	1479	8699	17111	2203	4001	4391	17599	5106	0	0	2711	2631	2895	2372	0	2251	0	2507	0	2131	6037	0	4966	0	1875	9141	2741	5254	0	1565	2883	1254	0	0	0	0	0	0	0	0	0	7553	0	0	1197	1782	2306	0	1562	2851	0	3182	0	0	13243	4212	4239	0	0	0	5924	3037	1598	0	2288	0	1684	2395	4682	2571	895	1169	574	6736	2805	4406	4995	0	10157	3297	4629	8739	1723	0	0	2470	0	0	1527	3556	0	1846	0	0	3972	13251	0	3038	7384	Unclassified	0.6666667	1.8	0.06666667
2	C15 H27 O10 N1	382.17078	382.17136	-0.16198364	382.17072	6514	11650	5881	7756	4449	193827	5531	6092	4028	1718	2372	3984	29891	2080	5010	1092	19653	41279	7908	1921	2591	6773	5870	7593	2945	0	0	3808	6775	4876	6077	7215	11459	35243	3946	7014	11432	5655	19349	1511	2032	0	1353	0	0	2349	1412	0	10741	4566	6551	7506	3867	0	4135	1970	2127	9600	2055	2726	2284	1145	5205	3680	0	90452	4932	22979	0	0	825	46093	17179	5167	1245	7721	0	4401	5792	4214	4340	0	1787	652	3306	2390	5325	27557	0	20859	5597	10072	16594	1623	0	0	7538	7045	0	1886	0	8740	5478	1769	1345	9902	2133	0	4869	13888	Unclassified	0.6666667	1.8	0.06666667
28	C19 H27 O7 N1	382.18604	382.1864	-0.21590014	382.18594	7735	6637	8455	6740	6704	4612	4111	9208	5703	9824	4781	4322	17280	4835	7957	8669	6070	9492	10380	15367	14481	6344	7676	11883	5331	13247	5227	7778	10295	8504	3748	8099	8542	8018	9141	9602	7528	3790	5561	7494	6009	5912	1647	0	3401	6307	5537	1165	7610	8666	7395	7483	6308	0	7520	12312	3611	8251	3503	3519	10908	4641	7102	6132	3108	12656	4908	7692	14422	20498	18157	8335	6760	7810	8819	6752	0	4255	6095	2508	4673	3077	6475	5692	8574	3747	5759	3168	5415	5198	8167	9699	8838	2073	5598	0	6182	9881	3782	12667	12843	9972	5036	6757	3983	7163	4416	1147	4620	10350	Lipid	0.36842105	1.4210526	0.05263158
12	C18 H27 O6 N3	382.19727	382.19766	-0.3258862	382.19714	10885	8114	9553	11369	4431	5502	13323	16197	3100	6439	2767	6686	3075	2291	10163	12075	9846	9511	8463	7944	8926	22940	9924	17003	14516	0	6434	0	15758	8941	12786	11642	11980	10528	8545	13687	13413	9891	14588	9940	5261	5749	0	0	0	11407	0	0	14175	10107	10062	8156	7619	0	4247	1860	2997	15115	5895	8930	0	5252	6843	4860	2952	6803	6851	15393	0	6898	4427	11801	12841	12302	8752	10813	0	10383	12514	0	6805	6771	9881	7619	1822	2186	13194	4772	6933	29967	30097	23778	28964	5349	6626	0	5999	11911	4796	2045	2745	11234	6834	10428	0	15083	4876	0	11309	6011	Peptide	0.33333334	1.5	0.16666667
26	C21 H28 O4 N1 Na1	382.19888	382.19946	0.31307203	382.199	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8278	0	0	0	0	0	0	0	12332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7173	48047	0	6337	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26925	0	0	0	Lipid	0.1904762	1.3333334	0.04761905
18	C23 H27 O4 N1	382.2013	382.20163	-0.28335908	382.20117	3833	3204	4605	6433	0	2203	1948	2193	1114	7679	10611	2015	0	0	0	5061	2387	0	0	9175	8428	4925	1273	4620	3621	26711	3922	11673	0	1335	3399	0	3121	0	4115	0	6196	2715	4122	3160	12217	2199	0	0	0	2124	5934	0	4599	2384	1755	2523	1832	0	0	0	1100	2634	1221	2849	2429	1764	0	0	0	0	2783	7605	16533	19280	31436	1355	0	3568	4088	0	0	2020	2810	5641	2847	2323	1266	7511	1858	0	2924	1138	1291	16623	5949	5569	8173	2727	2972	0	3453	4537	0	0	0	4509	2091	2498	2259	5038	1478	0	4126	0	Phytochemical	0.17391305	1.173913	0.04347826
20	C23 H27 O4 N1	382.2013	382.20163	-0.23180018	382.2012	382549	387761	408073	338754	291515	261907	261369	418293	360733	635544	271374	216143	460972	209846	342178	408659	228574	461296	574541	679388	580578	404776	308615	414971	298367	364027	240737	286994	439673	344237	340682	399607	447399	354823	669381	376545	513349	278295	231382	444085	243096	259854	7920	0	952	310443	208331	0	403785	314759	389953	420523	295676	1274	496774	299280	201502	403916	341184	157521	389723	247186	436466	362832	162098	359088	281464	252778	283952	645051	395368	351930	351392	374449	259469	372372	0	298713	320428	189444	264204	182907	298088	279664	286572	217379	308694	221686	289848	338201	456371	451222	481667	207899	316047	3764	378622	402875	238975	311713	341308	469214	253756	410430	207294	364015	235128	0	246611	481286	Phytochemical	0.17391305	1.173913	0.04347826
22	C23 H27 O4 N1	382.2013	382.20163	-0.2071418	382.2012	8255	12191	9501	10251	4951	4424	4870	9248	2637	8546	26233	6383	0	4656	7516	14923	14017	2845	3002	14820	17634	10481	4659	17949	7180	55726	4948	24029	7542	6347	5771	8056	7954	7507	10216	12252	8453	3584	11454	16515	31703	6492	0	0	0	10297	14367	0	9013	9146	9398	9098	5582	0	2560	2048	4527	16733	3869	10721	14985	12273	3496	2389	2291	6016	8858	12910	42310	33801	49696	4979	4858	4737	10970	9379	0	3849	9151	11982	6028	5099	6041	17504	4384	2951	15549	5664	6014	25612	12903	10572	22107	12496	12238	0	8280	11902	3181	2718	2817	12707	6468	9473	7806	13566	3855	0	10426	2689	Phytochemical	0.17391305	1.173913	0.04347826
24	C23 H27 O4 N1	382.2013	382.20163	-0.18755342	382.2012	9006	8261	9355	11434	4026	3388	3760	7472	1716	9551	13806	4789	2410	4144	4735	13586	6410	3713	5756	12434	12600	7786	7418	13500	13261	39154	0	19392	9268	9453	5466	5626	8616	4684	5818	6594	7985	4972	5415	15824	24834	6011	0	0	0	11071	9765	0	7639	7111	9785	9175	6187	0	3727	1103	4488	15934	3586	8312	10871	7816	1882	4179	2461	5854	8497	11889	33195	19374	29535	8606	4853	5368	5012	6985	0	4749	10941	10336	6703	8947	7933	12747	5028	3308	11615	7458	4910	22919	9737	8536	30324	10816	7280	0	10068	9165	4747	3060	3698	9779	5498	12162	5909	19764	2529	0	12570	2290	Phytochemical	0.17391305	1.173913	0.04347826
0	C16 H31 O9 N1	382.20715	382.20782	-0.24999964	382.20706	6782	5752	6954	7083	11168	14505	11981	11466	4824	0	1214	4380	27598	23192	4570	3739	4640	16036	16513	0	1778	3221	3752	6318	2714	0	5117	1731	14794	7183	10833	12664	16670	21118	0	9860	12375	3649	5349	0	0	7757	0	0	0	1759	0	0	11781	5359	6537	6171	8106	0	3929	3243	3039	10549	0	0	4535	0	7945	4279	48659	23911	9482	5252	283	0	0	19640	23104	7459	2127	7396	0	7140	2960	0	3194	1146	0	0	4934	15394	2980	9325	21399	0	35124	10668	0	0	0	0	6841	7818	2749	2725	6716	6003	4829	0	0	5597	3175	277	2390	32850	Lipid	0.5625	1.9375	0.0625
4	C16 H31 O9 N1	382.20715	382.2079	-0.04600002	382.20715	1261	0	1692	0	6839	2117	1035	1346	2383	0	0	1076	2954	8202	2007	1800	0	5010	4076	0	0	879	1779	1269	1355	0	0	0	0	1905	2742	1527	2257	0	0	0	0	1635	1853	0	0	0	0	0	0	0	0	0	0	1474	0	1440	2118	0	2493	1872	2354	1967	513	0	1718	0	11759	1172	1710	2857	3434	1929	0	0	0	999	1230	1997	893	0	0	0	1342	0	690	0	0	0	22683	3437	2906	708	800	2887	0	4093	3125	0	0	0	1398	0	1578	4033	2299	2056	1208	0	0	1950	6816	0	1439	15386	Lipid	0.5625	1.9375	0.0625
2	C16 H31 O9 N1	382.20715	382.20782	-0.21326229	382.20706	4642	2587	3194	3707	18469	0	0	2804	1458	807	1269	3509	7825	41365	2257	2548	0	3118	3924	0	705	1695	3211	2601	1395	0	3084	0	3819	4254	2997	3513	5184	5296	720	3918	5802	1743	1911	0	0	4015	0	0	0	826	0	0	7157	2705	2498	3635	7671	0	2466	4580	5759	6073	390	0	2287	0	2145	0	27691	6366	8557	2964	0	0	0	4366	3861	5810	2487	4040	0	2363	1883	0	1858	0	742	0	3757	12175	3192	2540	2199	8528	13400	3984	4958	638	0	0	3920	2708	1649	1962	2886	4765	1640	0	0	6156	11472	0	0	3781	Lipid	0.5625	1.9375	0.0625
16	C24 H31 O1 N1 S1	382.2199	382.22018	-0.4760377	382.21973	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2152	0	0	0	0	0	0	0	0	0	0	981	0	0	1465	0	0	0	0	0	0	0	0	0	0	0	0	804	587	630	0	0	0	1697	0	0	0	0	726	0	0	0	0	0	0	0	0	21758	0	0	0	0	0	0	0	0	0	1406	0	0	1505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2371	2033	0	17540	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.041666668	1.2916666	0.041666668
26	C20 H31 O6 N1	382.2224	382.2228	-0.18969397	382.22235	22990	18198	23803	19412	29957	13409	5102	25157	21106	23613	13063	10616	69914	24962	15152	23479	14293	24282	32288	27085	32903	22384	13369	23514	9892	24694	8888	13683	20371	17015	13036	13177	20271	16282	22619	19388	19555	9495	16818	27600	27770	12940	0	0	0	18735	18002	0	20906	11318	23794	22315	20115	0	29110	63998	14090	25079	11276	12365	26344	16364	28035	22660	7667	35429	14612	13681	29253	37679	51237	19964	17452	14413	15070	15943	0	10332	24049	11645	13621	7419	9958	11152	23876	10188	23919	14239	12499	25520	24821	24998	24658	9860	20442	0	20042	25867	15439	89205	109370	23184	8923	22982	6273	13992	17962	0	11742	30459	Lipid	0.3	1.55	0.05
28	C20 H31 O6 N1	382.2224	382.22278	-0.20132609	382.22235	5906	3365	5189	5087	7847	1645	2796	4612	4300	3772	2319	1206	15371	7521	3881	4873	4553	6489	7798	4030	4994	3384	2816	3447	0	7256	2194	3130	4959	3432	3188	4286	4563	3465	4698	2938	2942	1204	5057	3304	4153	2991	0	0	0	3114	4099	0	4758	3959	4627	4366	6298	0	8143	17364	2546	5413	1038	2761	5854	1546	6778	5502	1551	9337	4076	4896	5012	10530	12427	3997	3024	2361	3689	3482	0	2348	4035	3167	2279	1105	2817	2524	3834	0	6399	2491	3483	5088	7853	7276	4608	2775	7301	0	6727	5250	3360	19925	24131	5179	1118	0	0	4360	5210	0	2720	5516	Lipid	0.3	1.55	0.05
20	C17 H35 O8 N1	382.24353	382.24402	-0.17741373	382.24347	0	0	0	0	0	0	0	0	4894	0	0	0	0	3675	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1797	0	0	0	0	0	0	0	0	0	0	3232	1100	21213	0	18672	0	0	0	0	0	0	7082	35277	7114	11650	0	0	0	0	0	0	0	0	0	362	0	0	0	0	0	0	0	0	14768	0	0	0	0	0	0	0	0	0	489	0	0	20600	0	0	0	0	0	6380	0	2297	0	0	0	Lipid	0.47058824	2.0588236	0.05882353
18	C17 H35 O8 N1	382.24353	382.2438	-0.41018552	382.24338	0	0	0	0	0	0	0	0	0	0	0	0	0	950	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2553	991	797	0	0	1195	0	0	0	0	0	1400	0	0	0	0	0	0	0	0	0	0	39430	2366	1139	0	0	0	0	0	0	0	0	0	797	0	0	0	0	0	0	0	1434	20243	0	0	0	0	0	0	0	0	0	614	0	0	1732	0	0	0	0	0	3453	0	0	869	0	0	Lipid	0.47058824	2.0588236	0.05882353
6	C18 H31 O4 N5	382.24487	382.24527	-0.32247806	382.24475	0	0	0	0	0	962	0	0	0	0	0	0	0	875	0	0	0	0	773	0	0	0	0	0	0	0	0	19605	0	0	0	0	0	0	0	0	0	0	0	0	0	446	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	397	0	0	0	0	0	0	0	0	0	0	0	0	0	1150	52473	0	0	0	0	0	1074	2448	0	0	0	13216	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1042	0	Peptide	0.22222222	1.7222222	0.2777778
8	C21 H35 O5 N1	382.2588	382.25925	-0.21720648	382.25873	5142	7869	5326	6330	0	3342	8034	10266	727	3922	1276	7797	821	914	6856	10819	9688	0	0	8913	2309	4107	4734	8835	8094	1038	9906	1956	10750	14118	12096	12688	10141	9773	4830	11882	13464	5476	9094	3965	1459	2704	0	0	0	4385	2331	0	13906	11071	7808	5640	1971	0	0	0	985	10541	0	0	9335	1724	0	0	0	1078	1634	9688	0	4256	0	10787	9674	12891	9349	11583	0	7590	5451	2923	2909	0	598	2633	0	0	22246	1318	3598	28182	24605	0	11532	2734	5605	0	6847	5895	0	0	0	14036	4420	7593	0	5245	0	0	6303	0	Lipid	0.23809524	1.6666666	0.04761905
16	C21 H35 O5 N1	382.2588	382.2591	-0.3013192	382.2587	2581	3356	2626	3173	2148	0	9029	8419	0	0	2958	27487	0	0	0	16435	5388	0	0	4740	0	1930	1263	1598	3048	0	15511	0	5746	7619	27347	3054	6558	3035	2340	2592	3870	1590	3767	0	0	1469	0	0	0	1714	0	0	9031	5730	2777	2666	1245	0	0	0	0	9064	0	0	14253	0	0	0	949	0	0	5592	0	0	0	9204	2979	3950	4758	3634	0	35751	2360	0	0	0	0	0	0	0	2428	2088	1349	0	12051	2472	0	1896	0	0	3013	2675	0	0	0	5598	26910	3334	0	0	0	0	0	0	Lipid	0.23809524	1.6666666	0.04761905
10	C21 H35 O5 N1	382.2588	382.25922	-0.23684353	382.2587	7982	9016	5410	7575	1528	1995	20420	16834	0	5306	2494	8273	0	0	7016	11615	4870	0	2579	7769	6387	3777	3550	6539	11139	1514	29203	3896	13380	14313	14056	17003	15589	12955	5345	14124	12697	6797	6224	3086	0	3095	0	0	0	2617	0	0	16247	10462	7089	6924	2534	0	0	0	0	16063	0	0	13346	0	0	1645	1549	0	0	6543	0	2485	1776	12680	7574	7682	10022	14411	0	11098	5264	0	2197	0	0	1869	1482	1233	45343	6752	3094	30637	21792	4309	11441	3057	5238	0	8479	9376	0	0	0	12363	8577	8340	0	8141	0	0	6510	0	Lipid	0.23809524	1.6666666	0.04761905
12	C21 H35 O5 N1	382.2588	382.25925	-0.2020686	382.25873	55694	46887	59676	54372	1934	3775	24913	579123	1786	7753	5219	102450	0	1506	16648	179177	30870	1793	8001	64548	22888	0	2977	6577	8706	929	25297	0	311544	310414	452869	212452	297520	206060	28948	233833	229232	13518	21816	7131	0	7827	0	0	0	6410	0	0	468499	476971	47365	48523	2699	0	5683	0	4631	140365	0	0	174199	1713	0	10282	7928	1565	9299	30704	0	13597	1728	557827	184539	207067	67828	169027	0	149025	2372	0	2383	0	0	1918	0	2121	13782	10564	31898	22052	18688	0	7705	0	1975	0	60250	54257	0	0	0	207573	119987	126780	0	18435	0	0	4434	1623	Lipid	0.23809524	1.6666666	0.04761905
14	C21 H35 O5 N1	382.2588	382.25916	-0.19863078	382.25873	28224	30671	14179	22221	1173	0	2388	257290	0	4140	0	91736	0	0	5108	112335	5474	0	0	8551	4796	0	3350	9444	3525	0	5459	0	54469	127622	130401	68105	46053	20786	14650	63581	38879	4509	5909	2951	0	3356	0	0	0	1772	0	0	160552	277772	22252	22077	1567	0	0	0	1421	79205	0	0	97193	0	0	2226	1983	1359	3808	15992	0	5023	0	80998	32869	60900	26282	73134	0	81498	0	0	2314	0	0	1115	3358	0	5914	2450	9528	18331	13714	0	8325	0	0	0	21205	21548	0	0	1095	35331	79644	9500	0	12985	0	0	2074	1966	Lipid	0.23809524	1.6666666	0.04761905
20	C21 H35 O5 N1	382.2588	382.25916	-0.26506647	382.2587	7629	7705	12984	12970	11423	6187	13893	7899	6270	5111	7355	6966	5321	4947	7917	12978	22220	9058	9537	6856	7862	7495	3784	9739	7824	9334	12079	5521	11703	14578	6742	9204	8068	14013	4187	13709	13885	5214	16068	2344	9151	7701	0	0	0	6922	4418	0	14212	14107	11420	11439	5568	0	8173	10192	5325	10339	4307	6370	9835	3036	5499	5105	7532	9259	8556	19801	9498	5111	6674	7341	11086	16858	20117	10296	0	6975	7809	9619	3598	3899	11359	0	8312	7367	18636	7272	6683	19310	21358	15796	15854	8080	11293	0	7834	10347	4724	6732	10827	21088	4740	11877	2988	10512	6722	0	10309	6194	Lipid	0.23809524	1.6666666	0.04761905
26	C21 H35 O5 N1	382.2588	382.2592	-0.18551399	382.25873	23270	23119	24701	21666	30827	17090	16582	18117	23164	16945	16451	10911	31375	23803	25496	21566	16433	34413	48169	36179	35902	22685	8519	17324	22035	17519	18280	27969	30855	22881	20483	22684	33565	18631	24621	28384	32180	21328	18548	25280	16460	20278	0	0	0	14720	0	0	18127	13237	22022	23488	24014	0	34652	28286	11472	29433	18982	9372	29055	16975	26310	24611	13649	34489	33676	18860	19195	31303	17125	14324	18506	21318	14603	20592	0	14038	16305	22353	10282	12473	19137	14922	20776	21969	29079	11185	17966	21132	53872	46174	24591	12090	20775	0	23232	26430	20159	24040	24360	32962	11004	32723	25887	20160	26498	0	18684	30700	Lipid	0.23809524	1.6666666	0.04761905
18	C21 H35 O5 N1	382.2588	382.25912	-0.26199263	382.2587	10919	12516	13184	7244	1196	0	11849	7570	0	7327	10969	6600	0	3128	2267	16964	31276	3552	3072	5232	11705	7046	3093	9409	6898	2274	16175	5484	7659	11939	8580	11597	54313	13195	11241	11283	37595	3712	30388	10203	13761	3811	0	0	0	6890	18637	0	13023	7544	9670	11910	1914	0	0	0	1693	16378	0	3643	15788	1986	0	0	2846	2889	3053	30377	1197	1906	4492	7501	9075	10083	16944	10067	0	5260	3515	10700	2419	2216	2655	8752	0	3686	6978	3977	2668	29215	39247	2587	34469	9324	20795	0	9805	8649	1293	2111	1929	40880	4204	9833	5592	17056	1327	0	10092	1692	Lipid	0.23809524	1.6666666	0.04761905
12	C25 H35 O2 N1	382.27405	382.2746	-0.19699627	382.274	0	0	0	0	0	0	0	0	0	0	0	1218	0	0	1403	0	8668	0	0	0	0	0	0	0	0	0	4178	0	2321	1389	0	0	11979	0	0	982	8174	0	1736	0	0	1223	0	0	0	0	0	0	1210	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29943	0	0	0	0	0	0	1615	0	0	958	0	0	1782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10984	991	0	0	0	0	0	0	0	Lipid	0.08	1.4	0.04
14	C25 H35 O2 N1	382.27405	382.27435	-0.14615035	382.274	3727	1482	1744	0	0	0	5450	3054	0	0	0	4579	0	0	0	4066	8611	0	0	0	0	0	0	0	0	0	9643	0	8885	4620	2928	8080	76446	4955	0	8073	62844	1582	1683	0	0	17178	0	0	0	0	0	0	6624	2057	3251	0	1047	0	0	0	6265	0	0	0	0	0	0	0	4265	0	5175	48917	0	0	0	1130	4374	2746	7183	5384	0	2946	1296	0	3747	0	0	0	0	0	0	4173	5663	0	0	0	0	0	0	0	0	0	0	0	0	68870	3425	0	0	0	0	0	0	0	Lipid	0.08	1.4	0.04
16	C25 H35 O2 N1	382.27405	382.27475	-0.40546384	382.2739	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2391	0	0	0	0	0	0	0	0	0	0	0	2057	1249	0	0	47759	0	0	0	57332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20809	0	0	0	0	0	3518	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36633	0	0	0	0	0	0	0	0	Lipid	0.08	1.4	0.04
18	C18 H39 O7 N1	382.27994	382.28036	-0.122214735	382.27988	0	2001	3508	2579	1466	2272	0	0	8479	0	2316	0	5675	13903	0	0	1885	0	0	0	2383	3119	0	0	0	4427	0	4683	0	0	0	0	3230	0	2730	0	0	0	3291	0	4559	2703	11015	0	1507	0	5141	543	0	0	2700	0	0	20056	0	1840	4135	0	0	2417	0	0	0	0	37685	180140	26489	3915	1413	1820	5153	0	2380	1674	0	0	504	0	0	5160	0	11572	0	0	1377	1373	0	1057	0	3981	0	3561	4842	0	4898	636	3235	1949	2659	0	3260	5238	0	0	5614	2466	0	789	0	0	Lipid	0.3888889	2.1666667	0.055555556
22	C18 H39 O7 N1	382.27994	382.28076	-0.36575654	382.2798	0	0	0	0	0	0	0	0	0	11046	2012	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4084	0	0	0	0	0	0	1857	0	0	0	0	0	0	0	0	0	0	0	10027	0	2439	9210	0	0	0	0	1297	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	109463	0	0	0	0	0	Lipid	0.3888889	2.1666667	0.055555556
18	C22 H39 O4 N1	382.2952	382.29553	-0.1290312	382.29514	0	0	2692	0	0	0	0	0	0	0	0	0	0	0	0	0	2956	0	0	0	0	0	0	1671	0	0	0	0	0	0	0	0	52348	0	0	0	5538	0	2710	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3951	0	0	0	0	0	2116	0	0	0	0	278109	0	0	0	0	0	0	0	0	Lipid	0.18181819	1.7727273	0.045454547
16	C22 H39 O4 N1	382.2952	382.29553	-0.16418752	382.29514	2613	1822	3544	1642	0	0	1775	10029	0	0	0	2835	0	0	3993	24224	5210	0	0	0	0	1716	4340	7146	8879	0	0	0	3271	4536	5325	4036	14755	3077	0	4528	3659	3263	1310	0	0	0	0	0	0	0	0	0	5201	8279	1890	2363	0	0	0	0	0	13232	0	0	25138	0	0	0	0	0	0	6415	0	0	0	6296	2241	1979	4497	3673	0	3194	6311	0	4857	0	0	0	0	0	2617	2145	0	38979	0	0	0	0	0	0	2260	2584	0	0	0	6956	2757	0	0	15036	0	0	8943	0	Lipid	0.18181819	1.7727273	0.045454547
16	C16 H14 O9 S1	383.04312	383.04346	-0.33096787	383.043	2575	3532	3340	1683	6888	3564	0	3849	3558	8334	7380	983	16101	1956	3093	1970	0	7870	10369	0	3082	15784	2666	3527	6019	0	0	2807	0	2528	2321	0	2586	2000	7707	2197	0	1346	0	2432	2825	3530	0	0	0	0	3341	0	3704	6793	3215	3745	3994	0	4064	5887	1448	1859	0	1357	0	4993	4577	6890	1149	3798	1748	0	2961	0	2574	5267	0	1577	0	2716	0	2713	0	6967	1496	1319	1135	2632	3211	1499	1842	2441	4859	0	0	4111	0	15566	22056	0	2294	2618	4593	4254	1989	0	2019	0	0	0	3063	0	1956	11394	Organosulfur	0.5625	0.875	0.0
14	C16 H14 O9 S1	383.04312	383.04355	-0.28338113	383.04303	2503	1916	1699	3122	6504	1524	0	3188	3809	12055	9003	1665	9608	0	1282	0	0	7121	3623	1762	1903	14364	2037	2579	0	1626	0	0	0	1549	1537	0	0	0	11256	0	0	2356	1422	4063	7337	0	0	0	0	1496	0	0	0	3970	3898	3710	2016	0	0	4617	2349	0	0	0	0	2269	2750	2600	1461	5257	2074	4210	0	1943	4638	1322	1198	0	0	1859	0	1002	1996	0	2895	0	0	2209	4443	0	2059	2778	1514	9470	0	3359	4777	26602	15963	0	2323	3100	4719	3536	3552	0	0	0	0	4242	0	0	3692	6651	Organosulfur	0.5625	0.875	0.0
14	C16 H14 O11	383.06088	383.06143	-0.05282195	383.06088	22857	17444	17117	19225	66971	27844	3409	4631	72476	9591	11557	10722	119295	23547	7393	2885	6621	66763	63676	4305	14502	19452	16061	3317	1263	0	4542	0	1696	1414	0	0	6754	0	7073	2141	6275	11300	4397	3155	7706	21004	0	0	0	3535	12521	558	2707	4282	15765	22351	37083	0	64767	65112	23806	4587	0	8641	0	7331	136965	93244	19865	72671	24507	5409	0	0	3413	2523	2091	1193	3524	2556	0	7008	18863	18915	15669	5387	0	0	64693	16415	15518	23317	23907	11147	0	7761	6035	26780	8600	0	18594	17589	46734	86361	73356	6126	10530	0	0	8260	41874	0	2506	132171	Phytochemical	0.6875	0.875	0.0
22	C16 H14 O11	383.06088	383.06158	0.12517418	383.06094	2045	3600	1968	3133	9897	6282	0	0	9766	1757	1401	0	12036	8176	0	0	0	11015	7443	1998	3587	3247	1301	0	0	1646	0	0	0	0	0	0	0	0	2018	0	0	0	0	0	0	1485	0	0	389	2193	3996	0	0	0	0	4600	4892	259	9190	9616	2643	0	1321	0	0	1544	25048	6888	3054	10610	2421	0	0	1800	2384	0	0	0	0	0	642	0	0	0	0	2491	0	1378	9231	5576	0	1445	0	1318	0	0	0	2236	3451	0	2714	1728	3641	7863	7181	0	0	0	1493	0	7876	0	0	20747	Phytochemical	0.6875	0.875	0.0
10	C16 H14 O11	383.06088	383.0614	-0.07526595	383.06085	19236	14855	12022	16056	49021	18714	2431	2005	55442	6977	9989	8265	81410	11010	5368	4409	4590	37452	35487	3268	11311	20081	13944	3609	0	0	3179	0	0	1188	1801	1133	7578	1825	7860	901	4262	5608	3847	4098	9960	15012	826	0	0	2140	4658	0	1873	1975	15820	13429	26395	0	46624	57334	17665	3536	0	4356	0	4167	97270	59012	21435	60656	16055	5417	0	0	0	1235	1957	0	3472	1101	0	5005	12341	9071	9607	4764	1107	0	52483	13112	11660	17612	14871	4702	0	0	5115	23408	11257	0	19764	14295	49018	86090	55196	4043	5019	0	0	5315	34880	0	0	101236	Phytochemical	0.6875	0.875	0.0
20	C16 H14 O11	383.06088	383.06143	0.16488692	383.06094	2790	0	2866	2009	12374	7653	0	0	13266	0	0	1783	22998	8132	0	0	0	17508	9469	0	2390	9022	1182	0	0	3817	0	0	0	0	0	0	0	0	3139	0	0	1486	0	2584	3250	1823	572	0	0	1533	3967	830	0	0	2553	2668	8919	0	13451	17053	5208	0	985	880	0	1965	26519	17303	3605	19738	2565	0	1140	2640	1941	0	0	0	0	0	371	1128	4219	5001	2902	2638	0	0	15380	4007	3860	3854	4113	0	0	3129	0	4316	3814	0	4254	4140	9207	16151	16234	0	0	0	4546	0	9999	0	0	38420	Phytochemical	0.6875	0.875	0.0
8	C16 H14 O11	383.06088	383.06146	-0.07625428	383.06085	7701	8724	6531	9207	23585	7930	0	1468	29843	2802	4870	3241	47651	6091	1188	2363	2979	19780	22714	2717	10774	10427	5152	1460	0	0	1238	0	0	1100	773	0	1973	0	4951	1197	2661	2280	1500	0	3163	8178	0	0	0	0	3257	0	1348	0	5793	11934	12690	0	20414	33675	12315	1844	1052	2265	0	0	60386	35444	10110	32398	8989	3816	0	0	0	916	1816	0	1900	1225	0	1958	6950	0	5169	1267	0	0	30829	7184	3725	10163	8451	2796	0	0	2497	10418	5140	0	7769	6564	28245	49104	42367	3125	1871	0	0	3621	19155	0	1013	50164	Phytochemical	0.6875	0.875	0.0
12	C16 H14 O11	383.06088	383.06143	-0.066221006	383.06085	25038	23735	15373	22347	64182	22093	0	1983	73031	11631	18511	11350	95730	17259	9355	3567	6565	57067	63263	7064	16453	29867	18526	4435	0	0	4907	0	2964	1587	3232	3603	8766	1925	12518	1694	9941	9999	5697	3938	13843	21025	523	0	0	4916	11567	486	3560	3161	23634	17861	37046	0	72292	73884	27605	7015	0	9861	0	5024	138196	83742	21592	77323	22974	6363	0	0	3537	2630	1817	1727	4396	0	0	6829	16336	0	16609	3452	0	0	71997	15638	13873	24940	21359	5677	0	6917	6424	32599	14198	0	26140	14804	60792	86153	67468	10019	8126	2265	0	8662	46929	0	1384	143526	Phytochemical	0.6875	0.875	0.0
18	C16 H14 O11	383.06088	383.06137	0.060403373	383.0609	7068	6605	5585	6030	30334	12012	0	0	19667	2516	3467	3802	55436	11857	4235	1870	0	24437	23071	0	5867	10258	9798	1752	0	0	1689	1475	0	0	2193	0	2002	0	0	0	1837	3692	2109	2281	4716	4429	671	0	0	4421	6382	780	0	0	5704	6351	16652	0	21851	26855	12597	1981	2498	1166	0	3227	51798	28190	8457	29531	10457	1732	1844	1541	0	0	1203	0	1319	0	0	2987	5407	4836	5953	4255	0	1558	30608	8178	3560	4778	9143	2427	0	0	4384	9586	6340	0	4312	5245	19459	25747	29669	2209	3505	3020	3372	2395	16787	0	1280	45265	Phytochemical	0.6875	0.875	0.0
6	C16 H14 O11	383.06088	383.0615	-0.08076965	383.06085	2919	2062	1149	1823	8721	1125	0	0	8071	0	1296	654	12430	1790	569	0	0	4628	7314	0	0	1433	1542	1071	0	0	0	0	0	0	0	0	0	0	2690	0	0	0	0	0	0	1845	0	0	0	0	0	0	0	0	3457	2042	4712	0	6378	9740	3167	0	0	0	0	0	22480	7280	4336	10955	1787	0	0	0	0	0	0	0	0	0	0	550	1240	0	1493	0	0	0	10203	1958	1465	2548	2069	947	0	0	1511	1860	0	0	2378	2292	7206	18011	14646	0	850	0	0	0	5672	0	0	17362	Phytochemical	0.6875	0.875	0.0
8	C15 H14 O10 N2	383.0721	383.07278	0.011989508	383.0721	2974	2810	2576	0	7437	2118	0	0	8266	0	0	2496	8010	0	0	0	0	5416	6912	0	2680	3946	2600	0	0	0	0	0	0	0	0	0	2110	0	0	0	0	0	0	0	2318	3300	0	0	0	0	0	0	0	0	0	1782	3024	0	4436	7232	1164	0	0	0	0	0	23460	10568	0	11936	1334	0	0	0	0	0	0	0	1230	0	0	0	0	0	0	1302	0	0	5136	0	0	3072	2390	0	0	0	0	0	0	0	0	0	5412	8368	8738	0	0	0	0	0	4848	0	0	18964	Unclassified	0.6666667	0.93333334	0.13333334
24	C20 H14 O8	383.07614	383.0765	-0.16070242	383.07608	8917	9856	11028	10031	10566	5333	2926	2986	15355	19680	8584	3871	17398	5570	4085	5806	3459	21719	19367	8168	12072	29732	5347	2830	3624	13215	2233	2969	2160	2237	2811	0	3395	918	25154	2336	2823	5775	4099	6099	14745	2449	0	0	0	8684	15505	0	2335	2622	12645	8111	11109	0	13556	10402	7034	4855	3202	6209	6252	8545	20370	14743	8995	13605	7326	4023	17590	14373	22562	1540	1009	0	1305	3290	0	2256	14513	21845	13255	10798	2980	9162	21261	8965	14136	5231	7245	7304	4968	2798	4385	33474	41476	0	8144	7862	11694	13942	15692	4040	2663	5056	8289	4548	9287	0	6103	17505	Phytochemical	0.4	0.7	0.0
14	C20 H14 O8	383.07614	383.07663	-0.072192244	383.0761	10666	14003	9734	13655	20832	9193	2937	1551	15937	47831	33438	2468	16811	7235	3418	5763	2820	16522	16233	27058	27687	33676	6502	6460	2920	24818	4010	12045	1749	1858	3687	0	2546	1832	61913	0	4227	4730	5035	17665	23089	4774	0	0	0	15275	20384	0	2649	2097	16388	12867	11230	0	14582	11841	7922	6021	0	5701	0	12405	25889	15471	8004	19415	8559	3533	34014	33084	40162	3501	2304	0	1210	0	0	2512	13209	24743	8160	16395	3960	15227	21819	8046	11108	6531	7202	12821	6542	9059	7759	32736	38306	0	8998	11555	16281	19757	19105	4946	3650	5858	0	7456	12495	0	4993	18469	Phytochemical	0.4	0.7	0.0
22	C20 H14 O8	383.07614	383.07654	-0.18001486	383.07608	18369	22087	19823	20008	24973	15407	8871	8193	34835	35428	26235	9278	26695	14186	11280	10745	10109	41886	33761	21797	23495	50120	12922	8096	9548	33126	8832	14166	5361	4681	4056	7913	10318	4439	56776	5956	10907	11360	9284	22391	30220	12446	0	0	503	19627	29174	0	6325	5703	18221	20131	20545	278	20399	18038	17771	8927	5681	10322	13162	17666	38031	29095	16572	28805	19614	8434	30134	34643	47485	3868	2745	1620	6025	4828	452	5518	24389	33159	23761	23776	7417	22225	30240	18479	22373	17277	15008	24713	8228	14530	12503	55590	65892	0	15807	16322	26055	33847	30071	12748	6591	11073	18938	9077	18755	0	14486	39793	Phytochemical	0.4	0.7	0.0
20	C20 H14 O8	383.07614	383.07657	-0.09257723	383.0761	30560	30915	35820	23956	38286	23483	8146	5201	45042	61200	45033	9326	45055	25853	12653	10659	7872	47416	45778	42824	42749	65242	18626	13349	6824	39990	13648	24691	7587	5347	7666	5739	14271	9098	95492	4747	16171	13236	15066	32025	50200	15974	1665	0	282	35922	42867	1324	9282	6599	27452	30663	27946	252	31857	33068	19377	12173	13674	13747	15577	24754	61083	41261	15635	42317	17097	11607	46965	51312	70158	5632	2579	0	5679	3731	472	8441	30104	57116	28190	28646	9848	38341	51815	29170	30143	21363	27029	22732	21803	24834	17436	80668	71555	0	28936	31275	31821	42024	34836	14642	9052	14235	28111	12435	31993	0	15020	54699	Phytochemical	0.4	0.7	0.0
12	C20 H14 O8	383.07614	383.07672	0.017062634	383.07614	4274	5062	4247	7264	7037	3262	0	1197	7948	20718	13859	2885	6230	3460	1855	2189	1896	5147	9080	14086	14474	9889	2896	0	1402	12673	1263	0	0	1191	0	0	1631	2778	28811	1628	1625	2365	2910	5525	11689	1311	0	0	0	5174	8043	0	1138	0	4336	7547	6425	0	4978	5471	2524	1503	0	0	0	2822	13777	7213	3240	5623	2525	0	0	11835	24503	1609	0	1542	1874	0	0	0	4956	0	3006	8439	1007	3889	7075	3251	3921	2680	4024	7523	2648	5379	2624	12204	14208	0	6125	4520	12037	9991	4295	2251	1378	3566	0	4206	5817	0	2490	10809	Phytochemical	0.4	0.7	0.0
26	C20 H14 O8	383.07614	383.07642	-0.17906603	383.07608	6313	3854	5383	3034	8806	4035	0	0	9791	11887	4917	0	13023	3610	0	0	0	15193	15211	5820	0	18166	0	0	0	6693	0	0	0	0	0	0	2490	0	14711	0	1918	3322	0	5312	8035	0	0	0	0	0	9972	0	0	0	6037	3446	6258	0	11434	6204	4045	2614	0	3622	0	5490	14763	6732	2870	8640	0	0	10229	10789	15298	0	0	0	0	0	0	0	8135	14576	6638	3817	0	2325	12049	0	5085	3393	2951	5031	1952	2329	0	18936	21508	0	5230	5873	4106	8952	11134	0	0	0	0	0	7182	0	4634	12033	Phytochemical	0.4	0.7	0.0
18	C20 H14 O8	383.07614	383.07657	-0.10212755	383.0761	39655	33395	30893	29715	38114	23257	10615	7598	37589	89069	62878	7172	43496	27636	13355	14063	3970	53745	56516	57176	61709	73378	16471	14299	11761	57860	13191	34075	3743	4709	6458	3725	12663	0	123083	3332	12587	13099	12150	39324	49315	14639	846	0	0	33001	38170	670	4089	4306	31060	38024	31868	0	42631	34986	24189	11134	14919	13969	10300	29735	63026	36940	19079	40986	22831	9858	63787	63802	85917	6180	4996	1243	5670	6836	0	7091	28887	58406	21904	32610	10539	34482	60116	31936	28774	20935	25971	14275	13099	24222	19601	83275	89237	0	30865	29515	41520	36235	41717	17274	6229	14025	25736	11907	31147	0	12699	40021	Phytochemical	0.4	0.7	0.0
10	C21 H18 O5 S1	383.09476	383.09537	0.10912208	383.09482	2667	0	2578	2373	4111	4232	2305	1803	4615	2819	2084	1760	0	3616	1827	0	1603	2520	2593	0	0	2247	1971	1692	0	0	1394	0	1543	1123	1393	0	0	2497	2053	1702	1832	1950	3689	0	1628	1790	0	0	0	0	0	0	2775	0	4013	1445	4679	0	4375	4100	4350	0	4176	2991	0	3715	2038	5842	3811	2004	3352	1743	0	0	0	2210	982	0	32336	1622	0	1972	2926	0	2360	2244	1690	0	3278	2917	2696	3677	3521	0	0	2672	0	3376	0	0	2665	2146	5543	3568	3935	0	2830	4138	0	1415	4397	0	888	3433	Organosulfur	0.23809524	0.85714287	0.0
6	C17 H18 O10	383.09726	383.09787	-0.13241382	383.09723	54438	59642	56330	55244	67005	39518	19430	33256	103634	105988	87684	37396	130297	32253	23432	48440	35652	104222	98618	53532	104040	73691	55580	46554	9191	15550	17426	27894	21692	29668	26219	22688	40464	21142	117224	25069	35030	31850	45718	27556	70260	45308	0	0	0	32428	50338	0	29280	30708	57159	56412	64504	496	104946	104997	49363	42384	22644	46665	43268	33656	328137	114452	46733	100758	56114	54360	50876	31880	60008	28482	26034	20556	51390	25155	602	27272	49998	23646	43238	20720	13822	12250	119937	44456	45064	48573	48265	52855	11456	35156	43508	65582	55606	0	53064	56582	85922	137139	135448	47314	33896	34124	34446	41396	94784	0	19948	332242	Phytochemical	0.5882353	1.0588236	0.0
18	C17 H18 O10	383.09726	383.0977	-0.11670037	383.09723	75099	73048	73454	66152	108823	89431	30434	55311	119505	86733	52293	49203	216912	55567	57485	38014	35017	164299	143913	80530	92623	93176	74759	54580	27471	16292	30406	23508	39063	34554	56903	44793	62580	50479	95087	39248	71350	59107	41152	75744	67031	53361	5003	977	1349	65066	76592	1151	51804	37874	76577	69289	88314	856	187825	101331	60268	49973	53846	33652	42794	72599	182607	151285	48082	119733	72698	35792	58225	50765	82464	49868	41949	36789	24415	42758	1008	47681	65768	46638	56738	71261	24930	30969	107999	72570	50701	54981	61356	35380	27213	51296	61305	67061	54226	1387	84227	65780	100185	94546	88249	49093	46502	39127	58708	63281	88590	1160	30533	208486	Phytochemical	0.5882353	1.0588236	0.0
12	C17 H18 O10	383.09726	383.09778	-0.08168009	383.09723	288450	299362	290581	285572	368751	241138	122483	155937	539301	517686	393320	136035	595830	135381	166240	165197	149992	559345	552561	425946	528580	556940	217503	159046	65969	82473	111673	163902	131451	117314	133398	135010	230220	134205	719218	112425	205799	165419	154674	295726	415459	194201	5796	961	774	230263	341196	864	152081	148437	299401	292356	281428	998	686733	354430	200683	171555	214003	197765	228962	308816	1587770	576190	144390	451546	227774	168773	281420	196252	320947	142178	132949	114332	127531	134638	660	147455	206177	237436	191225	198906	88358	107766	355657	181620	181131	176951	214987	178002	109003	219583	188634	418062	339933	1800	306692	305086	420097	333811	301661	223656	143869	164001	275792	172586	334038	800	86139	1661102	Phytochemical	0.5882353	1.0588236	0.0
8	C17 H18 O10	383.09726	383.09784	-0.12690686	383.09723	98711	99820	73932	99451	112890	65806	35692	47154	169350	184343	147591	56194	197527	48112	42657	73539	60982	142422	159588	113910	168367	142055	68668	54037	13888	19203	35563	58938	35126	39699	34711	41525	58922	40782	236198	36918	59082	53454	70387	75403	252170	66072	2062	0	281	67038	104114	0	46012	40953	91783	99044	90377	345	168549	139147	67196	48094	47677	70164	75874	66910	476848	352376	59716	140387	78547	77975	84473	54505	109320	43935	43542	31763	39159	38607	253	39449	86209	70726	68616	42287	22532	27366	155352	63221	67787	68263	76711	80850	30050	51021	73147	145189	112410	465	96307	95164	140202	186723	160332	65683	46327	64676	41449	57949	125450	0	32576	434028	Phytochemical	0.5882353	1.0588236	0.0
10	C17 H18 O10	383.09726	383.09775	-0.06693286	383.09726	201728	187216	172901	171397	247666	148290	74511	103167	347796	377883	295731	105623	874186	113725	92074	138106	112013	356582	337982	276494	374870	302655	146087	120990	37284	54740	76504	120094	76566	84042	87808	100966	162900	80824	484317	85785	138156	110421	120709	191458	589564	119469	5325	650	665	143077	227781	775	88276	91059	196123	195521	187848	772	406771	286395	119627	117891	116602	128816	159457	174111	903810	778262	118554	308741	145692	133715	182661	135878	225406	97411	90184	71439	86974	85390	0	88023	176942	154331	141535	105822	51683	59535	297693	122544	130532	133683	141123	121902	74169	107557	132924	325011	275197	1457	194873	195508	270593	281566	267481	139901	100876	110767	153669	109630	228971	511	66110	1004790	Phytochemical	0.5882353	1.0588236	0.0
14	C17 H18 O10	383.09726	383.09778	-0.07648701	383.09723	276289	276392	255422	286206	358729	289615	104744	152507	555623	414580	289544	148147	752060	175722	166657	138251	116763	581813	491293	353898	427686	452800	218935	175385	82789	78115	94573	141791	127559	116361	143340	148349	227507	124872	575737	123943	204502	161840	108013	275852	292710	187154	5985	1067	853	223767	290394	1207	147998	132668	265703	241575	274665	1309	680955	332099	196180	169760	233304	141870	203657	282125	739700	620375	154037	465237	218219	109669	250307	204877	261612	140790	126751	108294	105090	123648	917	149449	202550	240802	179619	189278	88635	103619	343148	173349	179857	190580	222309	150233	122674	204736	195710	313277	272499	2118	283667	254421	337519	336141	267941	195103	149714	173688	260802	164754	251657	971	85624	692770	Phytochemical	0.5882353	1.0588236	0.0
22	C17 H18 O10	383.09726	383.09778	0.089528956	383.09732	7821	11992	11222	10041	12442	11601	2628	7688	18191	16311	5847	6751	20767	7408	10088	5462	4344	18415	11766	10518	13629	9696	9296	7118	1950	3985	3297	4735	4863	5382	7307	5756	8873	6773	13204	4655	5706	8917	4030	11500	8146	5288	0	0	1249	10947	15275	0	6660	6140	8411	7782	11107	850	22866	16068	10457	4690	4441	5694	2928	9512	22099	21567	5490	16159	10323	4058	7698	10292	11831	6985	4415	5604	3326	3523	1018	6289	6276	4763	9733	11305	4454	5594	20053	10036	7412	6402	8950	3002	6819	9854	3287	9433	11477	0	9812	12541	9441	16912	11596	7306	7107	6039	13252	7491	13201	0	4812	29743	Phytochemical	0.5882353	1.0588236	0.0
20	C17 H18 O10	383.09726	383.0977	-0.07139131	383.09726	26875	24438	29317	24621	43573	33126	11481	23618	57296	23157	14346	18386	74299	22925	25595	12556	15042	51807	49319	29615	29776	29674	30653	19473	10766	7387	12636	5824	12994	16692	15301	19194	22168	15400	38553	13660	26794	25265	16446	24558	22479	18426	2033	736	1402	25156	34559	1231	17443	16808	25486	28441	31897	1354	55361	35997	24366	14383	17225	13712	10832	29941	62058	54079	18569	44218	26705	11985	20853	19754	27007	22393	19273	14349	13486	16577	968	22551	28267	17502	22945	29256	9528	15125	44018	29328	23742	17920	22126	9919	10178	23290	18818	27812	16460	608	25601	27530	40363	38178	36585	18873	21211	18596	31329	24794	29637	0	10007	89064	Phytochemical	0.5882353	1.0588236	0.0
10	C16 H18 O9 N2	383.10852	383.109	-0.11167582	383.10846	95881	85582	73058	80649	73184	52797	41954	83005	89488	84766	70287	89168	124080	30554	65109	81753	87298	106974	113908	69843	117824	140524	83550	86376	26492	6058	47872	24514	53803	58151	65294	67719	108122	62128	110998	61451	95799	66953	101213	96122	145770	75584	1465	0	0	74305	120471	0	69001	70118	86025	85766	68454	0	119598	63843	49338	75118	82755	96337	76271	84417	131000	122318	56291	95524	73111	115770	32920	20017	40746	72771	64096	56050	68783	59672	0	63368	62855	55001	56243	55530	35626	19145	75211	41477	61614	82632	77818	130348	31227	78584	135101	92485	57879	0	94698	91334	56725	66549	71118	100481	71666	76154	86383	94080	56288	0	39079	155939	Phytochemical	0.5625	1.125	0.125
8	C16 H18 O9 N2	383.10852	383.10904	-0.15054373	383.10846	81913	91217	66280	79871	55419	40793	30662	65022	84544	74426	73556	73602	100733	17842	52341	76272	96681	87615	106456	67347	111481	120194	72365	72242	20059	5094	34986	19042	48403	57154	54326	59980	77408	50560	105740	58331	84020	55292	90798	85684	142748	60487	804	0	0	74393	109937	0	61347	62141	77336	76835	59043	0	104308	59894	50917	53054	76411	88252	74898	73648	141804	108786	52491	85701	60216	102918	25425	17848	45913	62131	59427	52729	57445	51720	0	49374	62443	38925	49515	38798	27146	19730	68200	35392	46229	72102	76133	112502	24673	67436	109708	81919	65771	0	85085	76185	53380	70114	60594	86757	59429	83461	75210	82976	51934	0	34777	143252	Phytochemical	0.5625	1.125	0.125
12	C16 H18 O9 N2	383.10852	383.109	-0.12645248	383.10846	59941	70097	72283	67227	51728	45176	29326	67215	72598	51220	54704	61809	80472	21261	53830	50070	89890	85579	86987	44720	82522	113762	72030	59813	26131	4790	27281	11060	42491	37623	54476	45042	78611	42883	94696	48268	67892	56324	76195	70112	100947	60256	0	0	0	50220	77077	0	52450	48111	76991	64546	55780	0	107280	43014	38830	52466	64175	59074	53189	69345	106819	82762	38566	75824	62104	84570	0	13864	31761	46812	43294	37628	45228	39684	0	53691	55032	44614	47301	34787	25563	14837	49882	35652	55076	61728	57674	99197	26373	58314	110154	70706	42928	0	62203	61382	50326	45612	41260	71725	56071	49385	53755	83925	46482	0	29156	140134	Phytochemical	0.5625	1.125	0.125
14	C16 H18 O9 N2	383.10852	383.109	-0.097021975	383.10846	78194	74145	68649	70897	58990	53309	45608	52992	80558	112963	91125	54973	83513	36308	50383	62871	57832	87676	85134	88104	113115	116827	66058	62801	31286	114989	42971	49434	38209	40142	49694	55939	68090	48436	155062	44144	71150	53643	55945	82425	112253	48565	0	0	0	67538	96875	555	52067	54188	68875	72461	56601	330	89254	46790	41262	70793	66528	65149	71727	65066	98102	76702	43558	77781	53520	60744	100028	126163	169032	44479	43059	40988	52232	43657	0	54975	66805	53611	58748	58158	37063	54165	63982	39501	59141	60759	54829	104461	53674	59406	103545	85986	74011	0	75127	68202	50153	57936	54971	59300	49704	51529	45629	63976	51542	0	44076	109936	Phytochemical	0.5625	1.125	0.125
6	C16 H18 O9 N2	383.10852	383.1091	-0.13664529	383.10846	45735	45701	39898	42568	34632	19957	17880	40285	49675	41110	40505	39487	60316	11499	25256	46296	48108	61035	56022	35831	62360	63006	39872	43677	9491	2328	17251	9906	26426	30999	38244	31418	52382	32783	53810	33247	44092	25597	56258	31999	76323	34551	0	0	0	34823	57025	0	40298	36611	46348	47470	35623	0	59051	35061	26190	37461	28560	44360	42010	33999	84897	58245	27755	48232	40626	64769	11832	8419	20063	32416	32953	28015	24872	29094	0	28896	27290	14044	22486	19333	13471	9938	49036	24640	26525	52953	42759	60533	9683	28532	63480	40425	32888	0	38044	41358	31650	42621	45062	51797	33809	45384	36574	49398	28416	0	18559	90709	Phytochemical	0.5625	1.125	0.125
4	C16 H18 O9 N2	383.10852	383.1091	-0.21281779	383.10843	8619	10128	7666	8136	7774	4622	3359	7422	12068	5801	8719	6224	16969	3131	4873	7889	12246	13469	13784	5877	10526	12191	7585	8371	1169	669	5004	0	4266	5459	7160	7059	11199	6561	9862	6002	9612	5519	14668	7329	14192	8886	0	0	0	7122	10197	0	6103	7687	8548	8387	9199	0	12622	11459	6433	7619	6571	8985	7866	5515	25420	17396	10736	13214	7871	14421	3197	1721	3724	6932	4783	4932	3895	5487	0	4857	6651	0	6097	3873	3324	1355	14067	5217	6311	11371	10413	14252	3579	4135	15750	7335	4031	0	7871	10945	9603	16973	11945	8210	5263	7526	5526	9271	7838	0	3309	26922	Phytochemical	0.5625	1.125	0.125
16	C16 H18 O9 N2	383.10852	383.109	-0.040548816	383.1085	14448	16346	16530	17038	21316	16794	12157	16201	29985	10234	11958	17251	31809	7375	21998	16972	19705	26837	27613	9393	14489	25135	18014	14269	8445	0	8431	0	13858	13459	17084	13456	24457	13148	17544	11388	23346	17505	18976	11702	12090	16010	391	0	0	11730	12357	0	14016	11487	19095	14339	18506	0	21412	11315	14058	18304	11752	10329	17146	13524	28816	19254	15683	19605	18685	17575	0	2708	6016	13866	11682	7374	14241	10081	0	14194	19260	17520	16662	10674	9211	4433	15782	9427	19589	19460	20312	33049	10841	13275	55923	14749	14416	0	21412	17084	11393	13470	15512	21009	14807	11052	11100	27166	19048	0	10986	43246	Phytochemical	0.5625	1.125	0.125
20	C16 H18 O9 N2	383.10852	383.10904	0.13678287	383.10855	0	0	0	11091	7623	8802	9996	8625	9246	0	3173	4641	0	0	17145	7029	9015	8529	9523	0	13942	9597	6801	5256	7869	2782	6108	2076	0	5712	5340	4737	13788	8328	0	6849	0	7725	8658	1836	7415	5400	0	0	0	8796	0	0	11193	5223	5553	0	7914	0	12981	6021	12351	9111	0	5151	8145	5088	13515	10926	0	12882	7914	12366	2002	3041	3258	6129	6333	0	7338	0	0	3309	11004	6744	9964	1945	3288	0	13197	8373	12867	9352	5973	10665	0	0	12669	5220	1680	0	5448	6126	9858	1510	6975	0	7761	0	3879	10029	11274	0	8511	22998	Phytochemical	0.5625	1.125	0.125
10	C21 H18 O7	383.11252	383.113	-0.18198	383.11246	9173	7624	5286	6052	5043	2861	4343	5293	4300	11442	8223	5435	3593	7197	2573	5867	6147	4964	6366	12332	12483	12493	5531	4999	2396	19852	4964	6076	4238	4670	7218	4346	6371	4727	18791	4187	4907	5064	7228	7504	9816	3025	0	0	0	7810	13592	0	6868	5157	9160	5931	4284	0	4323	5503	3119	6373	4189	6777	0	4977	4326	4927	2819	5691	3898	6579	16381	15234	25961	4523	4324	4805	5301	5531	0	2427	8368	6637	7549	7790	5400	6861	5248	3413	4323	3703	4134	7884	3254	5014	6488	3712	11695	0	8850	7385	5622	3609	3574	5016	3336	7115	0	5887	3961	0	4706	4684	Phytochemical	0.33333334	0.85714287	0.0
18	C21 H18 O7	383.11252	383.11295	-0.12035412	383.1125	76397	106481	89595	83899	86516	55111	32528	43055	83786	270459	174971	25749	102713	58890	37223	52411	32713	102562	110889	193470	211655	129696	47508	51367	35157	324804	26071	158246	37006	27023	30340	33850	46551	32795	276447	23408	43965	38291	34841	149677	140327	37502	3367	344	666	105929	112863	839	37436	24265	95254	98261	63116	509	75441	75228	52792	50402	32925	40850	47212	104470	116867	73603	41591	92013	57860	39640	284809	342109	418019	36307	24076	22775	22091	29099	402	30693	74135	95872	53161	91444	38995	107560	98649	57901	59202	50300	57185	50337	66150	73834	67661	106103	148796	1505	104791	85827	84620	77635	76389	43199	27611	45740	61845	39681	59998	0	39337	98130	Phytochemical	0.33333334	0.85714287	0.0
28	C21 H18 O7	383.11252	383.11285	-0.17936298	383.11246	6501	5030	5760	4893	7419	2603	2657	0	7660	12003	10666	1925	8605	5621	0	4071	0	5711	7011	9334	11586	7845	3178	2323	0	17244	1579	6187	0	0	1934	0	1965	1015	16769	0	2001	2055	905	6923	11935	0	0	0	0	4640	9321	0	2067	0	6525	3794	4658	0	7464	6279	2574	2324	2659	1709	0	3503	9353	5438	2355	8036	2886	2735	20455	20694	32359	1364	1063	0	0	1006	0	1138	6779	13209	4988	7033	1178	4882	8709	3412	5239	2711	1874	1636	2160	3765	2229	12298	13330	0	5331	4243	4065	9109	9093	2251	1547	2701	2455	1808	4798	0	2629	8959	Phytochemical	0.33333334	0.85714287	0.0
16	C21 H18 O7	383.11252	383.11298	-0.11976509	383.1125	62099	70389	52507	62147	55812	39551	26500	38323	64003	172249	117045	23900	59762	37186	32301	39618	24884	60249	69273	144229	137415	78633	38586	34289	25777	215812	23121	88830	26065	24809	32269	30455	35670	22427	208473	22468	35325	31198	30552	93167	104639	27064	1920	396	583	64785	83647	778	32256	27499	66681	73642	45646	366	48224	46662	30456	36176	33312	32422	38852	60521	79025	45073	24890	59160	35258	34393	188084	261599	298674	25695	23602	20352	21705	29482	432	24521	57625	75256	41402	61799	35391	70537	71132	39103	54352	34402	35133	44012	45349	50696	32886	82811	106344	787	64103	62499	54868	49505	51006	30146	25355	44260	48846	32652	47411	0	34162	63679	Phytochemical	0.33333334	0.85714287	0.0
24	C21 H18 O7	383.11252	383.11288	-0.14784412	383.1125	21084	23980	19065	18299	25403	11589	4827	5981	26694	51428	36310	5526	33415	16076	11037	9085	6717	31842	27613	41312	41043	37635	12662	10550	7426	79180	4055	30031	5559	3752	5441	3217	5075	4486	67482	4896	7137	7576	9987	28467	37110	9451	0	0	0	28160	38720	0	6671	2884	21639	20794	18266	0	22378	23927	10019	6188	7441	7283	11008	24798	30302	20498	10033	28937	15492	9325	79890	78806	110744	6556	3385	1997	3307	3830	0	4260	22935	31691	15614	25462	7725	27049	34579	19759	18401	12502	13258	9832	11037	9972	11292	42446	49303	0	18758	18330	22332	28638	27118	10985	6743	10002	24847	8881	21915	0	9799	31097	Phytochemical	0.33333334	0.85714287	0.0
12	C21 H18 O7	383.11252	383.113	-0.16459246	383.11246	18188	20536	18459	16274	12767	5817	7457	15789	13412	39623	27393	10485	13727	7120	8645	14085	10316	12476	16999	32385	31149	19937	12931	18014	6709	38064	9968	11403	7938	10247	9833	10137	12298	9618	45461	8673	11977	11435	15127	19484	37294	8273	639	0	0	24767	35082	0	14378	17264	19788	20263	10741	0	11024	9769	7981	14054	9365	9269	0	19880	14055	9723	6198	11376	6606	15157	38043	51814	62893	12771	12196	8780	10394	11099	0	8760	17346	0	16245	20176	12156	17293	15157	7863	15456	9447	7856	19024	11653	13089	16103	13147	24349	0	17296	24612	14470	12659	11091	9416	10872	15052	0	10878	10109	0	10225	14519	Phytochemical	0.33333334	0.85714287	0.0
20	C21 H18 O7	383.11252	383.1129	-0.13715152	383.1125	91916	89941	79431	81675	94872	54116	27399	28489	96204	253577	185693	25240	107423	60678	37411	45202	25681	108285	112681	180569	202895	130197	43017	42547	31076	340382	24158	158757	27548	19551	26912	25245	44531	23648	299394	17736	41856	31346	28548	148690	146908	39660	3179	0	713	97544	111887	1478	34161	27430	88454	86748	62773	1175	67377	70918	44322	51592	35688	29940	42278	98627	111876	73133	42433	96313	60536	30117	286690	317874	403721	24720	19263	19257	15886	21542	826	26459	70595	113279	55228	81700	28608	130253	102241	55988	63524	42446	51665	42999	66594	64753	53848	145093	149890	2172	81015	80319	93447	87315	75510	33354	23390	44246	72925	37241	68347	1055	38297	108171	Phytochemical	0.33333334	0.85714287	0.0
26	C21 H18 O7	383.11252	383.11285	-0.218738	383.11246	14024	9079	11690	8280	17162	5022	0	0	12138	23348	14659	0	13352	4406	0	6524	0	11888	16970	17555	24755	17540	5822	0	0	34209	2384	10666	0	0	0	0	3024	0	33141	0	4715	3341	2899	13800	22821	0	0	0	0	9363	20722	0	2332	0	12188	11714	8633	0	14441	9932	2975	3765	3775	0	5130	10561	19211	8833	3904	14865	6988	2972	43928	38090	54226	0	0	0	0	3214	0	0	11011	18563	11268	11646	3529	10887	14534	6836	8563	4813	3278	5594	3404	5296	6212	17664	28816	0	11019	11500	8887	14233	14792	5031	2884	0	7527	1451	9002	0	5391	18579	Phytochemical	0.33333334	0.85714287	0.0
22	C21 H18 O7	383.11252	383.1129	-0.15612923	383.11246	50444	55912	47657	49424	64010	39227	15066	12479	66017	135899	109113	11605	55835	37444	21543	24657	14036	75058	56419	102732	114042	84472	30615	21236	19566	211327	15794	94918	16920	13120	15835	13576	21160	16249	160148	12795	23188	21969	22309	86614	88855	26359	2371	0	768	68670	76084	0	13540	13128	59499	56584	39019	1002	49574	56389	30237	24753	22036	20847	18045	60605	67160	42126	33733	63200	35651	17088	181214	198758	248528	14094	10672	5894	7026	13457	968	13688	46703	67624	42508	61338	20602	68686	69834	40874	41804	27099	32274	28042	30933	43447	30896	102476	101512	0	53156	46081	59367	67765	50411	17089	13030	28568	49036	23028	44859	0	24084	76333	Phytochemical	0.33333334	0.85714287	0.0
22	C18 H22 O7 S1	383.1159	383.11633	-0.015966032	383.1159	12910	9804	14746	11121	7766	12756	3552	7820	13868	25468	10953	7047	10557	0	7970	6495	7113	19455	17764	26398	22677	31536	5968	4745	6427	18374	3359	16555	5445	2355	3370	3795	4112	4406	34430	3422	10372	6385	5042	23380	15379	5605	0	0	0	15707	6967	0	6390	4460	12673	13742	10508	0	11813	8434	4273	5222	15361	4924	8004	18636	5693	6608	5093	12237	9529	4382	22494	30325	19823	3574	2901	1625	5638	3581	0	3895	7025	13019	5071	7049	10052	12775	10469	6606	8775	13430	10274	8775	23751	32672	11956	13563	31356	0	10329	23100	8564	16090	10119	8668	5463	12907	8003	9819	6532	0	5561	10672	Organosulfur	0.3888889	1.2222222	0.0
20	C18 H22 O7 S1	383.1159	383.11636	0.036137477	383.1159	27698	36129	34056	22550	24504	34530	14026	5855	19973	123640	42275	9286	33909	8878	8908	10092	8856	29780	28308	80737	76330	72589	8346	14355	14986	49517	6683	40558	7384	5423	19542	5299	21332	6737	125407	11208	12929	9717	7845	74538	37722	14287	898	0	0	30746	17599	0	9757	3947	25005	32728	17657	0	19538	18338	11379	12753	32321	12175	14019	48649	20649	14391	8487	21778	14502	9865	40409	90407	51900	7458	5830	3382	21510	6054	0	3947	10195	37209	7236	19720	22878	46639	21243	8364	12291	15697	13056	14511	77648	77192	19801	45911	77386	0	29640	28329	16297	21013	20128	8127	7206	26814	21737	11277	15551	0	10619	27755	Organosulfur	0.3888889	1.2222222	0.0
16	C20 H18 O6 N2	383.12375	383.12433	0.16729851	383.12384	51123	56832	48034	47658	44983	27205	30667	22443	42405	113731	100287	26476	32748	33744	41979	52075	34232	30306	44635	84732	107002	112731	33084	69964	34051	141525	38716	79324	28628	25681	33427	48761	48641	37966	108861	37329	61009	24950	58794	113118	160553	31443	0	0	0	67066	99659	0	41148	29212	63686	47326	45787	0	42375	33732	12281	65396	37623	37900	48482	70398	37017	35903	23353	45246	30199	43935	139650	186388	224341	33019	36280	12413	33834	26380	0	18223	55806	85885	28890	50069	38904	71406	23652	21552	62105	43414	31477	77550	109548	106561	0	97491	126319	0	52367	58570	34970	31729	40443	56207	22311	43230	33195	0	42209	0	48518	43534	Phytochemical	0.3	0.9	0.1
20	C20 H18 O6 N2	383.12375	383.12418	-0.13118607	383.12372	7366	5908	9003	6391	3626	0	2988	5383	4098	16011	15880	1925	0	0	1950	8014	5939	4926	4736	8916	12214	10937	4810	6553	3022	15154	0	10998	0	2418	3973	3936	6985	0	14227	0	3590	3458	7181	17716	22747	3333	0	0	0	4354	18403	0	0	0	7551	5680	0	0	3325	2147	3482	2842	2626	5994	4146	12495	4954	5291	1629	2722	4230	10045	18515	21987	32232	2304	0	0	2311	2086	0	0	7844	15973	5439	8815	4439	7623	3986	1310	6889	6396	5285	9843	8488	9482	11449	14905	12235	0	6550	5578	3822	3409	3949	3553	2932	7044	6477	6075	0	0	3187	6268	Phytochemical	0.3	0.9	0.1
28	C18 H22 O9	383.13367	383.13406	-0.12339644	383.1336	10507	8644	11126	8408	7666	8748	5916	11380	8635	18363	7157	5454	11916	4822	8183	9133	9158	11475	13439	22342	15892	10091	8106	12091	7139	14836	4584	7951	9227	6604	8416	7667	9150	10266	21307	8264	9412	5813	4878	10865	7092	5826	1608	0	0	10310	7521	0	8154	8378	9980	10216	7602	0	10653	7099	6166	9356	5490	5382	10138	7112	9051	7813	3234	8364	6113	7497	12098	21853	15830	9789	8429	9989	6729	10495	0	7397	6923	3961	7361	7428	8233	7611	7358	6674	6119	7123	6272	7288	7273	7165	6994	3786	7833	1704	6485	9261	6720	6372	5978	8120	6258	6575	7415	8384	4901	2029	5407	11428	Phytochemical	0.5	1.2222222	0.0
20	C18 H22 O9	383.13367	383.13406	-0.13867597	383.1336	166807	178043	165872	145525	165044	150714	86486	189185	209222	258155	117819	114822	287231	93113	157378	135246	78563	255519	219681	264607	259524	175977	154074	171772	117912	130127	85049	84357	161325	133007	155953	153343	181732	139886	269072	142672	200209	125233	95758	203023	130346	108518	8175	3813	2910	164804	142016	4141	154527	141609	162194	174705	140742	2833	269572	139923	96270	161149	155712	78935	149243	147232	245391	217504	86175	187068	120546	94477	137039	257551	200891	177799	161374	150719	93516	150101	3091	138406	162684	73915	139582	106470	103360	121491	161779	106282	127009	103097	119634	95601	142588	157186	184771	107093	105733	4463	184355	163813	139581	124459	115031	142776	114825	144847	103704	143329	115710	3678	110597	300883	Phytochemical	0.5	1.2222222	0.0
4	C18 H22 O9	383.13367	383.13422	-0.18901749	383.13358	9198	15622	8320	8771	4252	4634	5188	16788	7447	7238	8673	7163	6543	7390	5571	8288	21222	15062	15514	7277	17550	10891	7782	9471	3865	5164	5595	3649	6817	11902	6944	6444	17356	4961	17834	8043	12390	6389	30460	5243	17116	10798	1257	976	1517	7264	9884	1136	9481	8857	8373	14398	6140	1276	8928	15236	8304	15510	11018	15382	9442	4356	17264	6764	3899	11530	5614	19554	8670	8940	9602	5484	6939	17996	0	18456	882	11224	7754	0	14056	9582	5514	3456	9846	6361	14636	8652	11766	7806	3783	6149	17002	4443	5359	2583	11516	9344	7344	17176	17644	9148	13860	8039	5048	7185	5922	1293	4483	8689	Phytochemical	0.5	1.2222222	0.0
16	C18 H22 O9	383.13367	383.13412	-0.08167105	383.13364	1034173	1026041	1066353	1041717	854920	838167	1146962	973021	1300656	2282253	859696	575030	1530757	508134	1803174	775677	484546	3238822	1547533	2109637	1828805	2617980	1893418	934856	661131	940971	451478	729211	869537	818654	1877366	934487	2254876	789868	5780428	821111	2334864	1465412	537455	3082006	782990	640780	25602	5768	4098	1955740	657569	4013	1026626	854024	1091087	1068601	859261	4800	1883982	815811	551946	919958	2003078	471972	925202	974947	1549796	2650642	426209	1131112	792770	500766	967145	1959276	1215632	1004067	895769	848367	519917	873307	3206	696711	841242	561080	706491	667959	668403	761303	807633	588485	685967	556475	757522	551198	724899	1153189	1043839	694727	1075032	10059	1070256	1075346	786200	615844	607302	912324	605906	908779	511248	844133	715010	5276	1128346	3455002	Phytochemical	0.5	1.2222222	0.0
18	C18 H22 O9	383.13367	383.1341	-0.10332104	383.1336	522512	509606	497797	505671	436878	427780	266600	504050	594891	875464	367842	285668	842193	277159	457037	375754	220614	828497	768131	840410	716713	583183	465727	507386	332502	418709	236583	289159	473111	397571	476624	450687	571410	448051	998969	431064	589419	367167	267870	664206	356716	303066	16361	4166	3447	491909	327373	2962	478200	409548	505948	503313	410619	3901	1056398	403903	274455	466460	461425	223067	420729	446122	755399	659624	218612	548925	383250	265072	443900	813282	558141	480955	383139	436452	237682	437964	3163	355929	404295	231895	393900	321878	291735	313293	412593	333612	363137	275397	373267	214531	399713	549269	495114	268892	426722	6435	528077	474849	391979	319536	299200	436838	310305	482385	237500	362515	305920	3273	287530	840951	Phytochemical	0.5	1.2222222	0.0
22	C18 H22 O9	383.13367	383.13403	-0.14648023	383.1336	54977	54898	56278	56269	45417	40148	28374	58645	64427	82483	37759	34442	66703	28175	51889	44621	30411	84479	54406	78994	73236	47737	61500	57942	42171	41830	23462	27904	54943	46510	54624	46458	56284	47978	85635	44814	66117	47579	31488	56650	44221	33293	3240	0	2624	56598	53868	0	54312	49906	55266	58925	46583	2694	78302	48723	32409	50548	42943	27573	47657	40836	70909	64227	21675	59815	35570	25301	44098	79404	59082	57834	50071	49556	25933	49087	1918	45859	53049	24291	47983	40781	33312	35536	63346	42336	46736	33380	46008	35519	40840	43853	55410	27400	36139	3412	49164	52279	46739	52183	38189	52277	40480	44817	43367	52492	37639	3326	38863	93621	Phytochemical	0.5	1.2222222	0.0
24	C18 H22 O9	383.13367	383.13403	-0.07469027	383.13364	15150	18878	18221	18054	17984	13724	6885	20604	20973	30038	10884	15250	33329	8530	19639	18321	11300	25312	24269	20858	24895	16876	19729	20792	12335	13482	5114	7720	16098	14049	14925	18834	18417	16939	26578	16345	20993	15825	14251	17786	14979	11022	2040	0	0	23762	10109	0	18541	19476	16530	20014	16241	0	24697	17593	11395	19138	15621	8567	13919	12814	25910	22930	9486	20505	12466	10545	15870	19917	21686	21267	18036	17708	9955	16145	0	16605	16614	7130	16347	14908	11970	12316	19515	11711	12880	9963	12446	6612	14643	16229	20511	12350	15761	2040	16110	20283	14434	14822	12462	13975	12183	17053	11807	14287	11858	0	14275	25430	Phytochemical	0.5	1.2222222	0.0
6	C18 H22 O9	383.13367	383.1343	-0.18860924	383.13358	41551	44328	38495	40910	42230	19610	27155	46982	34043	56688	45169	32999	62910	31698	32102	47982	39075	34735	43208	50923	68640	48149	81826	54883	16594	25759	50556	33025	38226	43580	42644	47307	46048	33586	63650	44984	43469	36239	106408	56664	52209	28386	1696	575	879	83756	104240	949	101038	45597	41120	42343	47044	1244	46265	32848	21421	40722	75380	48688	95238	27456	38957	66554	22292	30507	29715	111274	47662	38763	60017	37329	36877	86078	36618	37727	859	31173	37681	23054	37692	25757	25865	20261	36564	21359	74890	49988	31371	45461	18922	28607	90692	62662	67888	1455	43378	38566	61162	33907	85058	86446	33552	97798	30373	75888	59852	813	44408	40496	Phytochemical	0.5	1.2222222	0.0
10	C18 H22 O9	383.13367	383.13422	-0.09698105	383.13364	430452	765744	696750	349155	473956	383116	476164	779270	683598	1317172	807740	548744	695680	138934	568426	834126	558776	730296	786066	1279032	1285596	402970	683422	829810	356668	779986	543226	553426	665882	684418	669562	731742	389024	620614	1578724	693338	389999	594462	709702	474909	467552	429542	9755	2022	1965	775180	753008	2349	681112	728128	784272	831190	445606	2826	874246	498914	326230	729208	721618	333288	425489	608472	345350	708526	320166	590182	455856	346301	475421	1132886	1254020	702146	673838	352657	583240	703152	1680	517944	748802	218081	372788	564680	275425	445150	618874	366062	626920	375794	228273	615732	247964	572428	756640	591964	715024	5387	800512	775844	532810	504694	494104	346748	541724	855558	291422	604916	486594	1795	443870	382141	Phytochemical	0.5	1.2222222	0.0
20	C17 H22 O8 N2	383.1449	383.14532	-0.014830963	383.1449	9282	20522	15211	10422	12474	13146	8994	24204	2515	6486	8923	9045	7707	0	16086	13293	16425	18414	23160	4188	12693	12435	16404	23151	11442	4748	12950	11254	16458	9693	15981	11706	22731	14742	4983	12993	19710	8331	18357	2451	5088	10299	0	0	0	9900	0	0	26346	17556	17493	18996	15558	0	12621	4863	10125	16515	11994	9859	19422	3431	9630	13281	7272	11844	17672	18348	6930	4779	11957	19827	12930	16821	15132	18897	0	17786	10200	4635	9651	5964	7851	0	8686	12813	15060	16707	14634	11973	16989	19935	38766	0	8418	0	13489	2716	8880	6227	1487	18036	11115	10257	0	20400	2765	0	12879	11625	Phytochemical	0.47058824	1.2941177	0.11764706
6	C17 H22 O8 N2	383.1449	383.14545	-0.16622548	383.14484	152704	164774	137461	147775	75070	68572	89523	175882	104723	158948	109639	123592	119833	29234	115340	180728	159374	141255	148462	136126	188638	222346	132832	201197	58812	17812	83072	63980	146787	140011	153858	167709	206284	147700	204055	154809	196811	109191	219144	122399	213612	88169	1114	0	0	145782	206062	0	186513	154054	154640	153081	89491	0	129284	71155	63729	167701	142968	174227	163453	114588	145941	116050	63133	111443	107819	220130	41161	47318	68225	156747	147479	143302	85671	137043	0	100883	97430	71707	91744	79652	89467	55938	85859	74026	102859	118790	112517	195657	76372	138051	236493	118757	129051	357	138685	150111	54864	74742	82996	199309	115568	208160	110131	174498	74584	0	78112	187119	Phytochemical	0.47058824	1.2941177	0.11764706
12	C17 H22 O8 N2	383.1449	383.1454	-0.19514418	383.1448	284018	300260	300809	292289	128939	204310	275000	454440	204204	270504	148306	205521	185282	81143	336122	287574	224593	348142	394567	348713	270728	468973	315860	352430	257999	43235	183076	132971	420552	313540	401653	383113	583355	332578	401603	351252	537860	295992	227355	345406	254958	219218	2907	0	293	289013	212373	0	391215	339349	292420	289232	199478	486	295218	102634	139503	365195	434994	203209	393569	245592	216131	199900	111820	214071	254846	234586	73388	151480	102131	354283	327852	345161	188354	290459	0	312833	215676	131096	224738	188132	240168	133981	109668	137824	231165	192240	294980	318592	250018	408184	586512	176831	203319	1450	321883	316923	123696	82342	92394	421214	274448	322803	206812	424527	121159	0	231008	329571	Phytochemical	0.47058824	1.2941177	0.11764706
2	C17 H22 O8 N2	383.1449	383.14554	-0.20244409	383.1448	20048	22695	16170	15919	18574	18095	9994	21227	21596	13084	14565	20353	29286	9317	13985	4535	22269	28215	25539	13982	27089	29731	18892	14740	5791	1364	2300	6902	18800	11590	21002	16092	31092	17312	24838	16020	20439	11876	25361	14744	21979	21990	0	0	0	10508	16105	0	18843	12152	18619	21485	18743	0	26635	14653	11463	20672	10755	17517	6283	10071	38309	28610	11963	28360	19493	32015	3127	6284	8441	18861	20612	13409	1877	17062	0	13783	17114	9145	14211	8099	8159	5317	18043	8939	14014	20678	21952	33168	13704	17333	35166	15742	4760	0	18402	19429	14141	20508	17588	14819	15781	16426	10509	26809	14529	0	11583	38574	Phytochemical	0.47058824	1.2941177	0.11764706
24	C22 H22 O6	383.14893	383.14926	-0.15089864	383.14886	69650	68012	65095	70015	77304	49100	20572	31413	72856	145996	143524	22739	93752	48400	35509	47909	33016	78321	86585	154821	157874	70696	46935	58139	34493	304943	15732	132257	26217	27579	28231	37522	39318	32496	176919	34737	52060	26501	30456	114611	125751	35995	5740	0	0	83461	87243	2209	36450	31518	70299	66468	54127	0	71542	62269	35977	42125	37410	29570	47278	83990	85024	58755	26286	84860	54114	32605	283114	279218	337102	34436	28529	26180	25635	24872	0	26717	58440	62944	48791	62581	31843	92793	86436	44522	50930	41949	42167	43979	38956	47989	67880	82115	92520	2005	70044	70866	62811	69974	77391	42946	22238	53529	55642	41930	56807	0	30982	84879	Phytochemical	0.27272728	1.0	0.0
18	C22 H22 O6	383.14893	383.14932	-0.15057108	383.14886	193543	197880	163146	164196	153642	95539	85995	143759	129396	304401	234482	95510	167003	104670	107086	154617	107882	152873	178571	335437	317118	169000	126546	157819	84569	632836	86218	218035	116669	111742	117655	123118	147454	111306	314959	112413	132795	106388	126012	247932	268103	109655	5613	971	1018	161470	177241	1699	133267	116200	173224	176569	121898	1552	139112	117814	95023	150724	104801	110709	127403	156102	165985	112170	80156	154285	126072	127426	497517	652715	832326	118934	104289	106012	107630	143707	1009	88275	166027	128756	151417	145470	112424	180121	162683	100263	161087	109118	105640	160184	152570	149679	181190	145991	190898	2339	170169	168964	141793	135903	135271	126320	102513	140542	91749	118273	105535	1099	116878	149760	Phytochemical	0.27272728	1.0	0.0
20	C22 H22 O6	383.14893	383.14932	-0.11484615	383.14886	212442	223467	206626	195237	199083	130336	86631	140085	191538	426775	348781	88833	207670	139737	110053	175708	107226	187244	216083	459814	496236	221296	130966	172758	109633	953395	90201	336995	131561	109567	118526	117797	152470	124863	492302	99711	157169	107641	109988	343809	357261	121442	7191	2336	1287	202054	220193	3019	130675	115973	226877	224420	152169	2088	160166	160566	109972	157389	122845	118105	152741	218596	215051	150766	97252	201513	140433	117879	786216	996110	1167425	135788	112545	101127	103616	130662	1667	99056	179883	181188	130380	146034	116324	293214	206508	127845	168986	128584	135595	156534	181720	165428	210225	187812	234365	4078	205738	227896	160861	165986	171902	135940	92185	172535	146889	130304	141522	2310	123417	229553	Phytochemical	0.27272728	1.0	0.0
26	C22 H22 O6	383.14893	383.14932	-0.1710971	383.14883	25058	20726	21557	24899	27741	14123	5483	11471	29138	36555	37117	6351	37242	19489	10332	13405	12038	28085	30934	42929	48469	27947	9755	15353	7916	94027	6385	39940	11359	13289	12760	8818	14205	9344	48508	9390	12168	13445	9422	34407	43143	10858	0	0	0	28350	28974	0	15108	12407	28278	20755	20069	0	26925	26923	14424	13247	7369	11211	15515	20589	34889	19121	7680	32404	23992	12686	93608	85218	117147	11173	11599	0	9616	12081	0	9458	23038	23500	15429	21855	11174	28325	29371	15698	17867	15763	14233	16743	16955	12872	16910	27729	36094	0	26190	22930	21288	34373	29490	17988	10010	15998	16668	12441	23655	0	12587	27291	Phytochemical	0.27272728	1.0	0.0
22	C22 H22 O6	383.14893	383.1493	-0.154098	383.14886	165301	169668	147947	165485	166480	110157	54331	96501	150465	340159	320013	65868	158927	119716	85374	101629	67401	176477	161404	371209	352096	196894	97081	121536	94489	746523	51261	281401	89794	79920	79899	88371	113496	86391	405576	78624	117933	75556	71773	255931	262548	96120	6571	0	1667	176742	187472	0	90103	85079	170873	161518	128800	2481	145208	118315	84194	100495	92017	75877	103295	196188	166220	114859	70064	166799	124225	78500	613351	749037	822884	90200	72429	63136	51380	84825	1524	66361	132622	128470	106921	127319	72864	203401	167253	104210	124131	102535	109339	111048	124347	125263	143727	162164	194996	3582	149393	165703	133529	136056	141114	108557	62787	119025	119654	99811	126514	0	77935	182773	Phytochemical	0.27272728	1.0	0.0
28	C22 H22 O6	383.14893	383.1493	-0.24185917	383.14883	9406	9754	7490	9607	11113	6379	3309	5032	9596	16283	12051	3243	13546	8442	4982	7326	4894	11865	13229	17585	17169	10501	7301	9199	4504	29555	3527	12868	4316	6006	4012	3680	6256	4953	19799	4441	5771	3743	5116	12908	13693	4935	0	0	0	10098	11675	0	5705	5602	9887	9121	8080	0	10498	8144	3775	7114	2666	3171	6583	7006	13976	7205	4804	13927	8251	4525	33503	33458	54868	4652	3730	5531	3572	5718	0	3003	9025	10150	7275	7319	5815	11217	9937	4056	8757	7219	3920	6360	5492	7907	8943	9046	12277	0	8911	5267	6806	13269	11284	7055	2907	4062	6411	5946	7000	0	4651	11347	Phytochemical	0.27272728	1.0	0.0
24	C19 H26 O6 S1	383.15228	383.15268	-0.05627556	383.15225	14406	11632	12367	12534	12784	9982	5940	6187	9777	21683	7570	12914	16140	11350	9182	10011	16951	21153	14405	27604	20973	21756	5232	7628	9004	18296	4836	12506	9897	6103	5998	7559	10813	7713	33422	10986	11882	6167	13625	20574	15304	8794	0	0	0	15703	14638	0	8166	3629	11795	8342	10422	0	8908	16458	6776	13527	17702	8193	15013	19907	7663	5003	4755	11260	8260	12310	13779	36366	20625	6518	5811	7274	26834	4781	0	4738	6450	14186	5745	9166	14060	14476	5259	6712	7998	6512	9820	13554	42256	45256	16130	17090	34190	0	13204	12025	8059	6342	6489	10140	7280	17171	11460	8900	8588	0	10292	12355	Organosulfur	0.31578946	1.3684211	0.0
22	C19 H26 O6 S1	383.15228	383.15274	0.018907454	383.15228	23596	22104	21553	22174	19159	16508	8304	6900	17095	48315	23121	17496	28426	10189	9584	9760	23780	33673	23865	58521	51149	42420	10396	15969	18499	33228	6552	27096	9955	13569	8654	6938	18950	11275	53777	9015	12330	8363	15566	44872	31892	10586	0	0	662	25568	27861	0	9846	5104	22422	22758	18251	628	18255	14637	7433	18799	31268	17819	15018	33870	13750	8711	10517	21404	17014	12772	28152	45202	34865	9185	7359	7859	10347	5305	819	5463	9987	26091	5895	18013	23529	26507	17870	11346	27128	13770	16745	14816	76987	81068	18015	33930	51108	0	23465	20118	16047	19450	22870	18158	8828	29986	27443	15459	17120	0	10919	26794	Organosulfur	0.31578946	1.3684211	0.0
6	C16 H22 O7 N4	383.15613	383.15665	-0.2743986	383.156	11676	10534	10149	10948	4751	5221	6695	15988	7094	5604	3972	9421	6346	2954	9987	15105	13879	7266	9423	6423	6300	17715	12718	13490	5869	0	5493	3731	7914	9553	9314	9296	13934	12063	9482	11962	13519	11833	16801	5150	7002	4611	0	0	0	7245	9216	0	13403	9832	11037	12196	6473	0	10441	3957	5434	14123	9981	7923	15062	3770	10506	5544	4164	6129	8896	13877	0	0	0	10903	9211	7548	6920	8005	0	7964	10662	5802	5823	4630	5819	2912	7564	6425	11619	9963	7497	24085	11625	16102	32855	4807	5511	0	10049	8990	4350	3371	4062	11162	7331	10584	0	16558	5444	0	8022	11181	Peptide	0.4375	1.375	0.25
2	C16 H22 O7 N4	383.15613	383.15674	-0.26901028	383.15604	11054	8697	10477	9674	7443	0	8192	12957	8370	2808	4110	11974	9534	2697	9059	2292	22085	11717	11532	4479	5499	11938	10849	10054	3986	0	1436	2884	12461	5262	10683	10707	17690	10360	7326	9209	13063	6926	25082	4602	6501	7894	0	0	0	4276	3631	0	9344	7155	12398	9269	8304	0	9595	4191	5741	12093	4248	5016	5164	2133	11031	9103	5955	13417	11270	25826	0	1566	1157	8332	8407	6404	1557	8310	0	7258	9523	14334	6772	2457	3839	1523	6414	5538	10139	10778	11050	27057	23325	15479	27324	5476	0	0	10481	10652	4414	4591	4871	10756	10154	5828	2870	15078	6311	0	8473	13392	Peptide	0.4375	1.375	0.25
4	C16 H22 O7 N4	383.15613	383.1567	-0.27388287	383.156	5851	6335	6744	5840	4134	3041	3689	6273	5305	3124	2939	4358	6716	1501	6035	7394	9866	7128	6116	2866	3449	9091	8575	7736	5073	0	3885	0	4588	5061	6502	5188	7234	4592	5122	6775	7077	8084	14204	3206	4655	5005	0	0	0	4492	5822	0	5446	5655	5832	6048	4933	0	7106	4345	4238	7439	5459	6375	8905	3286	5341	5741	3835	5445	3640	13347	0	0	0	4952	3888	5592	2655	4163	0	5232	6169	0	6417	2964	3831	1281	5147	4555	7655	5956	4584	17446	5386	7745	21951	3160	2310	0	6213	8172	3639	6022	5151	7513	6590	4848	3900	7982	4644	0	5240	7946	Peptide	0.4375	1.375	0.25
20	C24 H23 O3 Na1	383.16177	383.16214	-0.13914293	383.1617	10195	12026	7150	12288	9564	9391	6051	14224	0	9574	13620	3696	12951	4847	4307	12831	12584	4370	8010	10254	14726	18807	6635	11255	7782	16731	7275	15895	11369	5826	9261	13637	10425	21435	9124	20766	17118	4182	14489	14527	23078	12009	0	0	0	14558	11925	0	15094	7165	9751	14517	4723	0	0	1955	3628	9373	8584	5802	15915	9424	5567	4002	2567	11664	5247	13055	17682	23277	24743	15132	23989	7057	12110	6261	0	4159	6996	15916	6285	4950	4838	13390	2185	3191	13042	16680	18653	22582	21081	13292	23263	14371	21363	0	5663	9865	2729	4852	6168	8239	4951	10507	9502	14367	2810	0	10039	6944	Phytochemical	0.125	0.9583333	0.0
24	C19 H26 O8	383.17004	383.17038	-0.15625274	383.16998	47400	40990	40807	46446	36630	33608	22040	53482	48869	74926	23772	30597	68415	24779	41966	47643	25302	64192	65557	59731	61695	45917	46435	60952	31368	28627	19120	23656	42054	40216	40833	46049	54713	40361	73375	40323	64316	39898	24993	42151	22306	26692	3182	2336	0	38796	23113	0	48230	37557	50954	40780	36047	0	79391	39413	23125	50098	34435	18643	51285	29383	69357	50381	22304	55764	28284	22574	25152	77688	48328	46138	36225	42791	27009	39883	0	38062	45025	19710	42581	24517	33860	23224	47954	27922	41148	24062	36065	24907	39115	48400	65090	22083	41525	0	45433	45676	28318	40729	39703	45688	31156	43625	19400	40051	27232	2837	29124	77989	Lipid	0.42105263	1.3684211	0.0
26	C19 H26 O8	383.17004	383.17047	-0.12858719	383.16998	17439	15211	15379	15305	11699	14210	7352	21606	16957	27078	9125	11129	24457	7727	18338	14150	11203	25578	25304	28915	26336	15910	16341	19867	9548	8417	5848	10870	17878	18032	17604	16408	20588	15122	28005	19432	25870	11296	13398	15024	9499	12439	0	0	0	11086	7511	0	17999	15424	14294	16068	12787	0	22865	17648	7913	22422	12715	7047	16696	11074	20537	18287	5386	22849	11922	11065	13852	24456	19150	18751	15910	15491	10637	16700	0	13769	17721	5551	14625	6424	12070	9240	14653	10168	14534	10877	14085	12486	18654	16429	24527	6349	12693	0	13851	16843	7562	14967	12641	22897	13013	17294	10144	15453	6358	0	12341	30524	Lipid	0.42105263	1.3684211	0.0
18	C18 H26 O7 N2	383.18127	383.1817	-0.16440308	383.1812	34688	21186	42636	31410	18990	24138	25420	45524	21178	33356	15858	18456	26714	9464	31890	37546	23406	44482	32778	23888	18088	40744	35414	47802	42806	5819	25864	15466	42222	30024	43768	43306	60486	42758	36184	43140	58884	22806	19360	32440	18362	23250	1610	0	0	33980	16788	0	52474	39356	34482	29384	32818	526	27364	16148	15588	55062	24842	13340	42180	15302	20378	24716	11506	29288	26784	26286	6418	21562	13079	35090	29064	40550	20890	26680	0	28636	27332	9018	30710	21464	31188	14146	16866	16770	29792	20202	20338	37600	57656	65674	85308	15248	24186	0	41944	25148	16552	13110	10914	44942	23154	55136	13154	37632	11496	0	31396	42630	Lipid	0.3888889	1.4444444	0.11111111
26	C23 H26 O5	383.1853	383.18573	-0.13745	383.18524	74938	79066	68521	65678	80782	41672	24116	62902	61598	91792	123914	37954	88149	49117	49081	60910	54126	80672	103990	132685	142702	80258	53201	65322	54502	264726	25241	128194	58614	70333	55501	50229	68011	47568	138772	60920	78270	33213	72645	103966	112425	48933	0	0	0	71140	67328	0	50759	57011	76491	69093	59726	0	70768	66126	49337	54100	52465	38258	63084	73228	67019	54329	34825	83501	68675	61350	248748	210905	248665	51301	45969	55581	43168	54548	0	37420	65093	62159	48126	46758	47505	86828	76125	46548	76126	51806	48733	45947	50804	61404	87897	68877	70222	0	68412	78300	48472	77582	85421	82327	31287	72205	47406	53470	56602	0	43491	63008	Phytochemical	0.2173913	1.1304348	0.0
24	C23 H26 O5	383.1853	383.18564	-0.14841445	383.18524	241585	243835	219956	232941	227131	163231	82074	183098	186416	358710	433458	104790	242887	147375	140518	199140	201097	223862	271208	468952	459308	227096	150625	216798	144849	979856	83005	391253	168020	180430	151257	177202	201332	160583	440977	180791	228013	109173	189663	357351	369450	137393	11774	0	0	229773	211170	2922	178788	144053	235213	221579	188793	0	200416	158917	120725	196386	148491	117830	210438	244937	214009	166590	94880	249424	206505	168380	890769	854337	986904	178093	147336	151622	134975	159570	0	121203	196274	192229	154853	170728	141190	290062	213555	130479	198287	151562	170841	170153	183919	203089	262955	201554	249042	4044	226606	233207	148373	181333	194384	217007	104893	237855	154169	187957	157367	3383	139150	210412	Phytochemical	0.2173913	1.1304348	0.0
22	C23 H26 O5	383.1853	383.18567	-0.16050513	383.18524	341484	364397	299401	336623	319804	217779	167019	274164	277553	485685	499490	176332	254742	223072	219997	304338	244411	309620	322788	602029	670008	346700	237478	320285	226535	1372597	160172	445752	268020	264322	240313	276958	319761	255788	548679	275391	320371	193836	253953	456061	527490	213625	9678	0	1353	296038	314404	0	273955	254153	350262	357216	283487	2152	249574	228514	182120	303877	209828	217039	292107	319334	288272	233464	151476	304245	265154	256032	1151611	1265052	1634905	266033	209441	228231	221997	242477	1563	185647	301623	232828	253854	219600	208142	343415	304294	204522	319918	231950	225552	297882	308471	300205	368310	287020	335963	4491	294694	338189	233100	259275	250560	341212	187045	347719	203608	268377	238934	3192	225716	296688	Phytochemical	0.2173913	1.1304348	0.0
16	C16 H30 O10	383.19116	383.19144	-0.3879277	383.19104	155368	172830	152902	145700	102103	106900	118358	210314	104687	199174	136256	128245	151070	80992	164427	196114	174628	171704	194378	321636	305097	173390	165898	228848	136500	317116	203772	94728	187836	187190	150776	186822	192280	164554	202476	199564	166642	142124	342424	208176	177099	124622	40041	44676	21777	201136	184572	44382	200454	224431	160724	163854	126181	23916	134310	121235	86175	198652	135507	281634	216088	116751	136941	98606	84117	109104	119658	281448	295714	322074	300129	177634	173193	225946	177542	174602	25751	121188	146629	122390	234668	117583	130368	133099	128730	90015	164904	120960	145672	161350	162932	350532	247936	204022	181916	41283	136116	186848	94178	131638	0	202130	116620	200576	83460	175368	122952	43250	145303	142093	Unclassified	0.625	1.875	0.0
2	C17 H26 O6 N4	383.1925	383.1931	-0.28083202	383.1924	5815	5721	5168	5738	5737	0	5234	7090	5414	2039	1543	4909	5556	1910	8393	3501	7490	5199	5656	2439	3193	7952	7570	7341	4913	0	1641	3221	7740	4991	7640	7701	10701	7054	4367	6259	9017	6414	12256	2783	2482	4396	0	0	0	3594	1932	0	7457	5041	6107	8132	4534	0	6192	2387	2896	11403	3629	2555	3453	1417	4571	5121	0	6398	5256	12268	0	1350	782	5967	8029	5691	1731	4411	0	4712	7946	13253	5569	1146	2599	1201	3196	3922	7162	4982	4667	23655	14352	15948	18569	2785	654	0	6676	6452	3685	2447	3170	5607	5171	4934	1646	10649	3242	0	8250	5809	Peptide	0.3529412	1.5294118	0.23529412
6	C17 H26 O6 N4	383.1925	383.19302	-0.30055156	383.19238	5101	6899	5567	6200	2651	4453	4878	9412	3547	1932	1620	4212	2747	2139	8979	10397	5599	5225	5992	3362	2289	5826	6818	8749	6345	0	3315	8328	8330	5742	5436	9253	9388	6831	6182	6722	8022	6391	7490	3587	3454	3259	0	0	0	2949	2095	0	8723	6326	6697	6729	3612	0	5034	1599	2089	6886	3686	2682	9021	2019	2325	2590	2530	4220	3404	8764	0	0	0	7101	6366	3768	4062	5038	0	4616	5541	11252	4807	1920	3281	1356	3699	3690	6135	4006	4337	17106	26437	22530	18794	3421	2596	0	6227	5664	1467	1657	1330	9579	4653	10309	0	7458	3237	0	5369	4725	Peptide	0.3529412	1.5294118	0.23529412
28	C17 H26 O6 N4	383.1925	383.193	0.47508386	383.1927	2407	0	1295	1936	0	0	0	0	0	0	0	0	0	1443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16534	0	0	0	0	0	0	0	0	1273	0	0	0	0	0	39223	0	0	0	0	0	0	0	48697	0	6475	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40945	104628	1251	9692	3599	0	965	0	0	0	0	0	0	2793	1758	2349	19751	0	0	0	0	0	99735	0	0	0	Peptide	0.3529412	1.5294118	0.23529412
10	C20 H30 O7	383.20642	383.20688	-0.32288	383.2063	11471	13189	12850	9728	2975	5695	16287	16182	6442	5205	3874	10061	4393	3823	11808	20227	18673	4093	7308	8641	5970	12600	9894	17521	9962	4778	16804	5117	13849	19009	12763	12744	9776	7989	5220	17837	9000	14159	20648	3199	3607	5682	0	0	272	12032	8402	0	13931	12342	9333	9982	4935	0	9272	7697	5232	16864	6360	9755	16733	2527	6008	7651	4679	4297	5507	20474	0	5843	6910	4094	8380	16387	25398	14877	0	8516	16669	0	12636	7978	9575	2366	8714	7089	21401	3418	5451	29483	5332	9078	16218	5769	6171	0	13271	10998	4701	9998	13273	13388	8762	8165	0	8524	6263	0	16315	3384	Lipid	0.35	1.5	0.0
26	C20 H30 O7	383.20642	383.20682	-0.17398319	383.20636	18417	14890	17401	17976	17704	10839	17176	26949	18209	14152	7143	15953	38533	17691	16999	22629	10531	23108	32191	21552	21729	12543	15242	12511	13958	0	16396	12512	22244	20835	19041	26964	29857	18838	22667	26228	31838	13448	12790	11792	7218	12730	0	0	0	11071	0	0	23380	21685	17135	15800	14015	0	27909	17190	9280	27692	17069	6555	23445	8848	25785	19466	7822	31268	16796	14883	0	16819	11672	15761	17473	18855	10552	20954	0	13396	11711	6456	12444	8528	20495	12070	18889	0	20076	11860	12483	15018	29573	29381	25365	6572	16566	0	16751	20625	8374	16434	27572	23589	11557	21631	11549	14452	10886	0	14126	27349	Lipid	0.35	1.5	0.0
8	C19 H30 O6 N2	383.21765	383.21814	-0.25423774	383.21756	10136	12841	10202	15615	5287	5963	7026	18181	4515	7669	4223	6773	9478	3582	10817	16223	6640	8527	11728	15861	10319	19194	11247	20424	13644	2006	8417	4666	18517	13733	13070	14679	18614	14589	13337	13583	23535	10461	10135	13577	5804	4899	0	0	0	13716	4696	0	23171	9846	13765	14429	7503	0	10566	2212	3087	22691	3224	2449	23251	4536	7095	8235	2947	6744	8595	12815	0	6236	1837	13948	11854	13928	8809	14100	0	9435	8986	7071	7204	3163	3814	3976	3091	3576	11465	5624	10039	21003	36658	26628	29833	4547	11502	0	13147	12284	3392	4485	4261	16217	7596	15093	0	15290	0	0	10850	9977	Lipid	0.31578946	1.5789474	0.10526316
10	C19 H30 O6 N2	383.21765	383.21808	-0.29707637	383.21756	7120	9991	9213	6605	4817	3860	5696	10589	2739	5463	1671	5407	5050	3257	8589	12056	5405	4851	7322	9323	8005	12127	7249	12752	11157	0	6460	4271	10109	8111	9747	8054	16969	9127	10787	12894	13319	4898	7946	8273	4612	3714	0	0	0	6336	3215	0	12274	8247	8967	9488	5326	0	4420	1337	2366	15430	0	1662	12987	3380	2664	2944	1101	4942	3704	9318	0	3720	2858	11850	8477	8055	6873	7633	0	5100	7195	0	6768	2795	2053	2325	2684	2961	8976	3362	5369	17113	25704	13366	23588	3337	4136	0	8765	6147	1704	1960	1625	12274	5517	9933	0	12738	1484	0	6076	6535	Lipid	0.31578946	1.5789474	0.10526316
4	C19 H30 O6 N2	383.21765	383.2183	-0.24527764	383.21756	7785	7593	8458	6477	3171	4971	4845	10401	3600	6177	2107	4253	5140	3407	7868	15737	7859	6509	5741	6607	6261	12038	6976	16289	8364	1486	5839	0	8534	6112	8676	8879	10648	7065	6707	7221	9768	6384	9280	7748	4048	4137	0	0	0	8537	4354	0	8760	8577	7473	7839	5494	0	7293	2336	2460	14727	3159	1499	16442	2572	3487	4367	1581	4770	4661	6895	1734	5128	2457	6989	6505	8074	6513	6026	0	5848	7025	5443	5218	2807	3752	3387	2017	3718	8537	3962	4222	17123	20524	15823	24025	4736	8065	0	6944	9205	2066	2418	2999	8742	5128	10069	3350	10748	2780	0	7828	14857	Lipid	0.31578946	1.5789474	0.10526316
24	C22 H31 O4 Na1	383.21927	383.21954	-0.43526486	383.21912	0	0	3494	1027	0	1163	0	0	0	0	2056	0	0	0	0	0	0	0	3619	2312	0	0	0	47977	0	2925	0	1945	2800	0	0	0	0	1954	0	0	2178	1291	1155	1757	1704	0	0	0	0	5508	0	0	2153	1946	888	1471	0	0	1817	0	2505	0	0	1387	1252	0	0	0	4439	0	0	2180	2092	3219	4138	2172	0	0	2855	1211	0	0	1667	1383	0	0	0	0	0	0	6838	0	0	5899	0	0	1961	0	0	0	2144	0	0	0	2451	0	0	0	0	1820	0	0	0	0	Lipid	0.18181819	1.4090909	0.0
26	C24 H30 O4	383.22168	383.2221	-0.15072042	383.22162	170067	166298	164768	155715	172727	89575	89768	170525	130867	165702	267730	103689	153042	135652	136921	189555	160193	200728	248438	263543	253972	175329	110167	177279	145452	660647	86610	270856	176741	175258	145782	211487	193544	139636	231714	203464	205593	107355	150936	203306	237282	137455	7695	0	0	149288	135441	0	167244	155336	169167	171908	145815	0	138011	159662	98911	178964	117512	103502	187580	144466	131629	110683	106215	157554	184208	178724	555825	399831	474474	132203	136983	173489	129999	163031	0	108415	160979	199617	111756	124264	128406	190871	165617	123548	182567	130767	138108	156347	150222	175220	210530	175291	173836	0	163972	175029	114268	184054	198252	225250	96324	183973	125159	141235	152706	0	130579	116011	Phytochemical	0.16666667	1.25	0.0
18	C17 H34 O9	383.22757	383.2279	-0.012321511	383.22757	23164	28548	26487	30871	20008	12748	24313	38803	14397	21671	17966	22823	26829	10799	22058	37647	38433	27383	41256	36876	31492	24178	27155	43278	25622	45118	31052	15764	43529	38891	34548	32428	43622	33509	22132	34852	42731	16812	34092	24759	30272	26329	6244	7742	3795	28863	24961	7198	35169	34673	28527	34526	18825	4644	23350	19729	15766	38033	25413	32236	36831	15843	24845	19997	12156	22417	21683	41003	33557	34954	33387	26970	34945	39117	40548	30082	4316	0	29156	20585	19097	17519	22538	0	28444	20876	29205	22642	21433	37440	37644	31557	37448	1964	24732	7786	22664	38268	15808	20767	36888	48047	17053	36870	20364	33510	22147	8016	25378	21806	Lipid	0.5294118	2.0	0.0
12	C17 H34 O9	383.22757	383.2283	-0.4145283	383.2274	0	0	0	0	0	0	0	0	0	0	5129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	371	0	0	0	0	354	0	0	0	0	0	0	0	0	0	0	7411	0	0	2955	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	97299	0	0	0	0	0	Lipid	0.5294118	2.0	0.0
14	C17 H34 O9	383.22757	383.2279	-0.38292322	383.22742	6784	5511	8048	3694	6263	6340	5747	3228	3552	6842	9697	5190	3513	5887	0	0	0	1945	3018	7470	4335	0	3277	0	4270	0	5270	10160	1480	3936	4833	0	0	4241	6343	0	3975	4862	9577	6327	8213	5437	17612	12831	7568	8165	0	13022	4097	3395	6209	8682	5875	10875	1705	6186	7132	5827	15501	0	0	11224	14477	2972	11380	9111	10040	6203	0	13925	4988	6577	6425	0	0	4696	8166	7113	5872	0	6140	8198	5638	6735	6407	5352	2371	5763	6712	0	9297	7546	3165	5874	4811	11556	6448	7813	6481	5083	4874	6231	6403	8631	165509	7807	3216	13113	7084	7397	Lipid	0.5294118	2.0	0.0
4	C18 H30 O5 N4	383.22888	383.22952	-0.13539505	383.22885	2977	2225	2168	2387	572	1145	0	896	341	0	0	431	592	0	543	1154	0	1259	490	0	0	924	965	1184	1781	0	0	5311	0	0	671	0	0	900	0	759	0	882	1860	0	0	0	0	0	0	0	0	0	0	1025	1567	1904	374	0	364	0	317	1873	0	0	1068	0	433	410	0	762	333	1297	0	0	0	509	0	787	0	683	0	0	853	122685	732	0	0	0	0	465	1697	540	0	2240	168497	40179	2635	9373	0	0	2095	2209	0	0	0	0	0	980	0	669	0	0	554	811	Peptide	0.2777778	1.6666666	0.22222222
6	C18 H30 O5 N4	383.22888	383.2293	-0.29672813	383.2288	3327	3320	3792	5069	587	2157	571	1845	0	1193	2539	853	1049	0	575	3838	0	0	0	0	0	1951	1039	2408	1949	0	552	15977	1474	949	1509	2020	1735	975	873	1683	1560	1034	0	0	0	839	0	0	0	0	0	0	0	855	4183	3240	511	0	753	0	0	6390	0	0	3194	0	0	0	0	1047	0	953	0	0	0	989	1176	1170	0	822	0	919	1601	70384	821	367	0	0	0	0	5723	960	1422	7304	196246	52625	7827	8278	0	0	3620	4293	0	0	0	0	734	0	0	4438	0	0	1716	0	Peptide	0.2777778	1.6666666	0.22222222
8	C18 H30 O5 N4	383.22888	383.22934	-0.31737435	383.22876	0	0	0	1644	0	813	0	0	0	0	0	0	0	0	822	2462	0	963	2040	0	0	1100	1012	1047	1474	0	0	7026	1573	1438	848	0	0	1425	0	1155	971	578	0	0	0	0	0	0	0	0	0	0	1986	999	0	1553	0	0	0	0	12656	1299	0	0	0	0	0	0	5323	0	816	1006	0	0	0	1721	1273	1215	1084	0	0	638	0	8124	0	0	0	0	0	0	1048	0	789	2689	44005	6720	3157	0	1906	0	1149	1205	0	0	0	0	743	0	0	1643	0	0	0	0	Peptide	0.2777778	1.6666666	0.22222222
2	C18 H30 O5 N4	383.22888	383.22952	-0.16063689	383.22882	2737	2445	2293	3040	306	0	1313	2160	395	434	1575	840	409	0	1509	1222	2202	395	915	0	0	1245	1011	1931	1257	0	0	14538	1634	1064	955	1469	1886	1039	529	1365	1795	855	2500	352	0	0	0	0	0	415	0	0	946	1045	1905	2062	507	0	387	0	268	2742	0	0	1813	0	472	449	0	521	634	2202	0	0	0	1341	1115	726	679	1850	0	1012	1062	141718	633	0	0	0	0	367	1649	694	477	4482	140373	48880	4397	9963	394	0	3073	2222	0	0	281	1380	609	687	0	1659	0	0	1239	703	Peptide	0.2777778	1.6666666	0.22222222
20	C21 H34 O6	383.24283	383.24313	-0.29901242	383.2427	25335	21873	27423	22412	20524	16062	136976	22288	10013	6000	8056	12200	15572	29511	18317	29674	32923	18797	16566	6403	8094	10329	16211	24500	21927	27112	115745	16414	31059	30653	23857	33535	28947	23829	6024	25271	32574	17240	41026	4274	10201	14226	3565	0	0	6387	8817	0	34259	17707	23831	25832	14484	0	21457	16545	15488	31386	10593	13818	33591	2845	21349	9696	23697	25722	31047	44514	4544	4930	7156	9406	23511	30774	32091	19811	0	16915	16707	19451	9944	9541	177036	152789	22366	18936	35598	16756	16452	40146	32279	25650	23931	6825	6567	830	28600	29708	13137	27533	37666	37227	11439	17517	10255	29141	25268	0	22504	15851	Lipid	0.2857143	1.6190476	0.0
18	C21 H34 O6	383.24283	383.24316	-0.27315545	383.2427	8470	9235	7863	7317	5995	3003	38301	8205	4423	2727	2356	3489	4242	9662	6648	13149	18562	5468	4330	1876	0	2956	3230	11571	10426	9890	29164	3550	9145	8886	5677	9773	11618	10016	0	12255	9146	5826	16248	0	0	4748	607	0	0	3834	1682	0	10069	8316	6905	8003	7762	0	7147	4361	3300	14671	1573	4825	5471	0	6511	3744	9747	10220	8740	19463	0	0	0	4059	7261	12982	12758	6898	0	3345	8041	5996	3981	3186	55832	51292	9106	13075	10009	3518	4568	17128	8230	8326	11641	1710	1711	0	11264	9044	5179	12144	21986	13544	3813	4414	2449	10452	10348	0	7801	3788	Lipid	0.2857143	1.6190476	0.0
26	C21 H34 O6	383.24283	383.2432	-0.20327383	383.24274	37998	31836	31835	37344	37043	25663	92921	33901	26509	18873	24386	11050	43937	39109	26257	27053	18716	40899	59754	45806	34243	24261	18459	24384	41202	9217	71863	65117	62931	44117	40160	45727	72267	41751	37489	48049	83342	27452	29509	25350	13070	36493	0	0	0	23325	12192	0	60383	25956	36893	37539	34909	0	51625	30744	27912	46094	63564	15125	36714	34141	40391	28499	31659	66921	67986	30243	7057	17208	8203	26871	41539	35326	36049	43424	0	22640	16601	36248	11028	25772	54697	40431	29266	27336	28969	26711	36593	18452	90697	95864	39518	19883	22622	0	41339	40989	21233	24052	22295	71567	18899	47571	137867	26199	27577	0	21254	30013	Lipid	0.2857143	1.6190476	0.0
28	C21 H34 O6	383.24283	383.2432	-0.14215234	383.24277	4238	3163	3374	3960	1878	2048	113742	3550	1652	2127	3317	1345	3500	9650	2004	4167	3885	3539	2850	2131	0	1601	1966	3297	4761	12036	108015	8395	4704	3844	2753	4115	5202	4097	2737	4854	3282	2337	4204	1961	2313	3112	0	0	0	0	0	0	3103	5369	4296	4699	2660	0	3902	2766	2389	4616	4594	1823	5584	1840	3284	1654	10514	5510	5411	2709	0	2041	1798	1238	2512	3978	0	2868	0	2164	2746	6750	979	3726	13977	19173	1868	3669	6057	1575	3235	3372	9496	7953	5181	2013	0	0	3856	4376	2386	3048	3831	4966	1771	3918	6816	3520	2259	0	2724	1102	Lipid	0.2857143	1.6190476	0.0
20	C25 H34 O3	383.25806	383.25842	-0.2549304	383.25797	5755	4645	7565	6077	4928	2694	13627	7697	5954	0	3821	7856	2440	4867	8285	15907	36224	2340	7744	2618	2638	5201	6944	6510	8409	4318	13953	4234	6231	9257	8168	10154	8183	3245	0	11448	7437	7366	35979	1585	3254	4964	0	0	0	0	4310	0	8458	10525	6939	8639	6668	0	6360	10159	9848	11247	3488	7680	5509	0	2625	2610	7279	3722	7909	39134	2653	3029	6817	2626	1502	12108	29700	10202	0	4826	12173	4723	8028	2126	7365	0	10271	7594	21127	3089	5786	30015	4492	4672	5602	0	2965	0	7784	8959	5835	17301	13820	10927	6625	9799	2039	5028	12683	0	14855	0	Lipid	0.12	1.36	0.0
16	C18 H38 O8	383.26395	383.26437	-0.20342346	383.26385	17296	18833	11381	14742	11526	4401	1181	13069	23305	10822	15769	0	15733	9870	0	15686	12482	6532	0	19792	8034	8947	0	1907	0	0	1900	5744	6330	2505	4023	10691	11762	7164	14566	4233	12397	0	11322	30545	23121	7764	5310	0	0	17148	21294	0	19486	5816	16449	17121	8510	55719	48881	0	12620	17267	18590	7344	14389	15579	18693	26644	8119	47073	65152	13732	0	11893	11844	17019	3443	2477	10013	3953	0	0	0	9722	0	1187	0	0	119656	52096	0	18120	1651	0	25350	11155	0	9473	10110	474	18087	11911	2031	57187	39696	11864	0	22398	368619	0	46737	0	0	10156	Lipid	0.44444445	2.1111112	0.0
14	C19 H34 O4 N4	383.2653	383.26575	-0.23944047	383.2652	0	0	0	0	0	0	0	3340	0	0	0	44689	0	0	2566	0	0	0	0	0	0	0	0	0	0	0	0	0	2195	3600	1614	0	0	3339	0	7455	0	4455	0	0	0	0	0	0	0	0	0	0	0	1824	1540	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3001	15328	35563	3257	7045	0	30830	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29898	0	0	3482	0	0	0	0	Peptide	0.21052632	1.7894737	0.21052632
18	C24 H34 O2 N2	383.26932	383.26956	0.13964345	383.26935	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44012	0	0	21002	0	63611	0	30041	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	76847	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.083333336	1.4166666	0.083333336
28	C22 H38 O5	383.2792	383.27957	-0.20326951	383.2791	4391	4506	4612	2318	3913	3457	37898	3936	2476	2950	11661	2572	3050	9889	4932	5074	6454	3471	4896	5142	4329	2723	4621	4291	7404	5936	28419	25036	5903	6798	3177	2899	3937	3737	3867	4888	2170	2988	3936	2945	4310	3580	2822	2682	5287	4143	5347	2325	4494	6977	4492	4974	3731	5606	5555	6206	4149	3103	18017	4848	6165	8634	2955	3812	7539	5067	9495	4139	4657	2784	1622	3412	3693	8444	4490	3921	6109	3473	3926	18126	2702	10614	7929	6533	4877	4664	4593	2815	3259	3646	12137	13723	3704	7484	5882	2538	5650	5631	2324	3398	7276	5306	4130	7437	34374	2846	3994	1784	4570	2061	Lipid	0.22727273	1.7272727	0.0
22	C22 H38 O5	383.2792	383.27948	-0.30055103	383.27908	2758	0	0	1774	0	0	55954	0	0	0	0	1298	0	5787	0	2619	10381	0	0	0	0	0	0	0	1934	3971	47864	3242	1778	4053	1157	0	0	1153	0	2024	1742	2499	11831	0	0	0	0	0	0	0	0	0	2064	1316	2396	1297	0	0	0	0	1400	2303	0	0	0	0	2161	0	7347	1483	3907	7216	0	0	0	0	1736	4703	7555	0	0	0	0	4169	0	0	29365	27798	1367	3064	0	0	0	3348	4173	0	2220	0	0	0	0	2331	0	0	0	1920	0	0	0	0	0	0	1841	0	Lipid	0.22727273	1.7272727	0.0
24	C22 H38 O5	383.2792	383.2795	-0.27034214	383.27908	16666	20362	25015	19193	6389	7684	416452	7527	1453	3667	16107	6343	2133	222325	3417	16715	43593	2355	7780	3966	1821	6300	2473	2445	5802	42582	434306	32605	8727	10534	4442	10611	6115	7776	3075	13338	5750	6874	52905	2457	19550	11064	4667	0	0	6148	7335	0	13039	5075	21586	20495	3720	0	1434	15471	16441	11303	5995	20837	33091	4783	39851	1664	138550	11916	37963	31874	4407	5965	14902	5994	8946	20746	15948	11205	0	5833	3181	27858	2188	18503	87515	82534	2661	4013	22776	9535	11972	18261	31284	25245	8217	4255	2362	0	20452	21001	21513	1510	4758	6522	4396	17083	9657	8596	4577	0	8656	12096	Lipid	0.22727273	1.7272727	0.0
26	C22 H38 O5	383.2792	383.27954	-0.2468681	383.2791	28820	17247	23518	27611	10188	9301	488611	14124	7221	5800	38222	6231	7788	168869	7170	16834	31171	6282	12369	10018	5261	7921	0	5038	10737	37266	445170	80524	17799	17677	9344	17558	18345	12745	7731	16390	21549	10222	35078	6754	22137	14452	5786	0	0	11990	17170	0	18319	9660	25955	23287	9628	0	6967	15753	14233	17227	20181	27280	36635	14805	36378	4342	133240	22362	50855	34695	12194	9093	14165	7457	11355	15031	14199	15352	0	7700	5017	58984	5448	62817	75374	65924	0	6168	13732	10272	12524	13767	50525	40681	6552	11797	7427	0	23542	26957	19049	4033	6887	25278	6732	34051	55365	14619	0	0	11434	12460	Lipid	0.22727273	1.7272727	0.0
8	C21 H38 O4 N2	383.29044	383.29068	-0.29824758	383.2903	0	0	0	0	0	0	1233	0	0	0	0	0	0	0	0	9133	0	0	0	0	0	0	0	27936	0	0	1693	0	0	0	5511	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2514	0	0	0	0	0	1070	0	0	0	0	0	8126	0	0	7630	0	0	0	0	0	0	0	0	0	0	1110	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4015	0	0	9244	0	0	3893	0	0	0	1130	0	0	0	0	0	0	0	0	0	0	0	624	0	Lipid	0.1904762	1.8095238	0.0952381
28	C21 H38 O4 N2	383.29044	383.29065	-0.3275483	383.2903	0	0	0	0	1614	43498	0	0	0	0	0	0	0	0	0	0	0	4974	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1389	0	0	0	0	0	0	0	0	0	0	0	0	0	1152	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2776	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1904762	1.8095238	0.0952381
22	C21 H38 O4 N2	383.29044	383.29117	-0.052419268	383.2904	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2238	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5617	0	0	0	1286	0	0	1096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22481	0	0	0	0	0	0	1915	0	0	0	0	1626	0	0	0	0	0	0	0	0	0	33686	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1904762	1.8095238	0.0952381
24	C26 H38 O2	383.29446	383.29474	-0.2932693	383.29434	1710	943	3055	2738	1128	813	7680	4015	2730	0	2221	5534	0	2703	4089	8592	21144	0	2909	0	0	0	3044	1387	4627	0	8566	1480	3564	9697	2051	6564	3876	1170	0	9639	2169	6509	20334	0	1265	1942	0	0	0	0	1773	0	5038	7135	1882	3173	2875	0	2439	2829	3686	4437	0	3007	4357	0	1301	0	2672	0	4643	24050	0	0	1644	1236	1734	12022	15919	7636	0	2776	9539	2758	4460	1902	2588	0	3789	3804	15299	1585	3317	27393	2328	2488	3096	0	0	0	2229	4203	2020	2914	6285	7164	4071	1491	0	2312	4822	0	7140	0	Lipid	0.07692308	1.4615384	0.0
26	C26 H38 O2	383.29446	383.29477	-0.2558073	383.29437	6675	8603	7435	6719	5834	0	20404	12035	5925	0	7973	8290	0	6800	10729	7777	33403	0	5824	0	0	3830	6714	0	16099	8948	24316	8996	12528	20336	9409	11526	8290	5969	0	17133	4521	16678	36352	2295	3887	0	0	0	0	0	0	0	7579	20288	9173	7636	6326	0	7435	7228	10058	9647	2785	7104	10168	2651	2055	3759	6796	4027	10001	41695	5830	3228	5682	2940	8402	27521	19303	20246	0	6518	19761	10582	10524	6436	7737	5614	10651	11675	45534	3427	7617	41956	6858	5742	9066	6021	0	0	8855	8216	7346	14998	12728	16135	7394	5342	0	8703	8914	0	16464	0	Lipid	0.07692308	1.4615384	0.0
28	C26 H38 O2	383.29446	383.2948	-0.19493796	383.29437	3065	3658	4116	2694	1978	1067	11880	4545	3448	0	4379	4207	0	2480	3994	4899	10756	0	3368	0	0	2459	3113	2195	10984	5434	10721	6444	7350	10813	3437	5745	3818	3637	0	12021	2688	6140	9973	956	2485	3872	0	0	0	0	0	0	3500	6505	2963	3228	4139	0	4270	6355	2583	6420	2641	2086	4169	1265	0	2448	2504	2690	7889	14976	2905	966	1681	1857	3245	11698	5621	8677	0	4450	12852	7031	4639	3742	4202	3151	8253	6131	26265	1257	2526	14944	3125	3410	2445	3285	0	0	1901	3053	4312	11883	14465	7990	3907	4785	0	3346	8170	0	10181	756	Lipid	0.07692308	1.4615384	0.0
26	C23 H42 O4	383.31558	383.3157	-0.25188512	383.3155	2406	0	2999	2021	0	0	98677	0	0	0	8681	0	0	28927	0	0	0	0	0	0	0	0	0	0	0	9101	91699	21564	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2249	0	0	0	0	0	0	0	0	0	5254	0	6113	0	26095	0	3192	0	5708	2225	0	0	0	0	0	0	0	0	0	13113	0	6908	11643	15553	0	0	1593	0	0	0	9487	5721	0	1948	0	0	2844	0	4537	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.17391305	1.826087	0.0
28	C23 H42 O4	383.31558	383.31595	-0.21709709	383.3155	3644	3643	3127	3152	1813	1430	43608	4248	2962	1808	14801	3088	0	11762	3095	2985	3248	2411	0	6115	2901	2452	4044	4181	3571	16383	27777	12757	3853	4949	1876	2471	2380	2350	2650	3552	2139	4844	2411	2205	3070	4760	4143	2816	5825	4166	3511	2960	3746	3892	3057	2249	2058	7745	3280	5799	4442	2246	3832	4900	7077	5308	3166	2408	11464	2415	3839	2025	22147	2687	2308	2782	2967	4913	4059	2183	8145	2794	3954	14632	3473	10090	5138	8126	4815	2567	3379	1797	2994	2875	9472	7513	2868	11542	4999	2581	2474	2404	4988	2041	4338	2303	3319	4670	9563	3231	2793	3015	3253	1704	Lipid	0.17391305	1.826087	0.0
10	C18 H9 O9 N1	384.035	384.03543	0.5261057	384.03522	0	1329	0	0	0	977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1621	0	1058	0	0	0	0	955	0	0	0	0	0	0	0	0	0	0	0	0	60268	0	2318	0	0	1158	0	0	0	0	0	6661	0	0	0	0	0	0	0	0	936	0	0	0	0	0	1663	0	0	1367	0	0	0	0	0	0	0	0	5076	0	0	1098	1057	3756	0	0	0	0	0	0	0	0	0	798	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.5	0.5	0.055555556
12	C15 H13 O11 N1	384.05612	384.05676	0.12467888	384.05618	0	0	0	0	0	0	0	0	8341	0	0	0	11416	0	0	0	0	2502	6244	0	3568	15106	0	0	0	0	0	0	0	0	0	0	0	0	2874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4002	0	5866	6516	2536	0	0	0	0	0	21390	10168	1696	8724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1568	0	0	5088	0	0	2314	1942	0	0	0	0	7062	0	0	0	0	0	8612	6580	0	0	0	0	0	2428	0	0	19480	Phytochemical	0.73333335	0.8666667	0.06666667
22	C19 H13 O8 N1	384.07138	384.07178	-0.17955387	384.07132	3901	5666	3193	5635	4595	5036	1619	1355	5781	10998	5658	1781	5181	0	3402	2840	3396	9625	4353	2539	11259	12474	2696	2370	2681	3760	2544	1519	0	1589	2449	0	2242	1564	13983	2032	3221	2818	4563	10183	15612	1912	0	0	339	6725	14741	0	1596	0	3824	6499	2734	623	7501	4430	3416	3021	1079	4200	1765	6674	12556	8409	4656	10245	3006	3717	4552	4137	7860	1602	0	1171	0	1911	489	0	5052	19578	6655	4291	2700	3980	8285	3579	9175	3218	5898	10365	0	6045	4880	30656	32230	0	7194	2315	3097	9393	4856	4200	1587	2628	5886	3596	3524	0	3039	6768	Phytochemical	0.42105263	0.68421054	0.05263158
14	C19 H13 O8 N1	384.07138	384.07187	-0.10576702	384.07135	1726	3376	3532	3831	4943	1447	1978	0	4996	10744	7907	1322	8750	1824	0	0	0	7725	3784	5039	7005	14136	1975	0	1424	7150	0	0	0	0	0	0	2157	0	27030	0	0	1516	0	6620	15544	2395	0	0	0	5024	11310	0	0	0	6709	4847	4657	0	6326	6507	3177	0	0	0	0	4798	13116	7358	1205	8026	2434	1561	14262	13978	24284	0	0	0	1725	0	0	0	6665	0	2841	4527	1621	3172	5414	0	2503	1966	2347	4804	3040	2604	5615	19827	22345	0	2905	0	4980	12162	5869	0	1028	0	0	0	2033	0	1553	11290	Phytochemical	0.42105263	0.68421054	0.05263158
20	C19 H13 O8 N1	384.07138	384.07178	-0.11960519	384.07135	13532	11139	4079	8975	10273	4912	3635	3187	9339	14333	10460	3216	12807	3205	2100	3139	1990	10591	10217	7316	11896	29826	5179	4495	2318	6037	2415	5827	0	0	0	0	3665	2800	19341	2514	6919	2308	3609	14848	27266	5553	660	0	0	7998	21848	0	2672	1431	6916	9168	8288	0	11571	9143	5297	7458	2903	8056	2115	10605	16155	11235	4020	11820	4819	3358	11449	13122	14241	2416	0	0	2557	1427	0	1508	8982	26214	6209	5527	4800	8815	10103	5782	7916	8535	6447	7852	8286	9632	9347	41938	36670	0	7210	9390	8185	12121	5756	6054	3555	4972	17541	2514	4913	0	2582	11857	Phytochemical	0.42105263	0.68421054	0.05263158
18	C19 H13 O8 N1	384.07138	384.07184	-0.102273375	384.07135	5758	10461	7545	7924	9803	4280	1925	1547	6669	29255	11123	2594	12456	4326	2572	3972	2874	9375	13111	9715	20540	31662	3198	2771	0	6721	2256	6454	0	0	0	0	4133	0	21526	0	1773	2121	5536	9924	26689	1982	471	0	0	7841	18101	0	0	1855	7976	6596	9572	218	11895	9908	4251	3658	0	4230	5890	9103	14765	8085	5572	9760	6614	3404	13531	10607	23784	0	0	0	3856	0	0	1232	9382	20393	5655	10212	3414	12294	11945	6461	7918	4325	4674	9743	7254	7618	3994	30684	34226	0	9286	6484	6146	10118	11233	4033	1378	3008	3525	3973	3032	0	3205	10354	Phytochemical	0.42105263	0.68421054	0.05263158
24	C19 H13 O8 N1	384.07138	384.07178	-0.16522035	384.07132	4063	2205	3322	2457	3047	3602	0	0	4022	5545	2064	1107	4466	0	2653	2772	3398	7893	4323	0	4878	11225	1404	1999	1955	1992	0	1353	0	1668	1233	0	1546	0	6008	0	2374	936	1742	3427	14334	3241	0	0	0	3949	8461	0	1197	0	3511	2145	2069	0	5759	1877	1286	2854	1049	3161	1951	3065	10295	6658	2595	6571	2392	2506	3173	2972	6701	0	0	0	1541	0	0	0	6638	14314	3340	4381	1427	1369	3894	3209	3210	2643	3102	5217	2438	3583	4839	20238	18008	0	2513	1519	1818	4323	3965	1573	837	0	3177	1780	3382	0	3810	5359	Phytochemical	0.42105263	0.68421054	0.05263158
16	C19 H13 O8 N1	384.07138	384.07184	-0.14888263	384.07135	5316	6321	7869	7861	7209	3775	2466	2462	8925	19278	10976	1211	13958	2612	0	0	0	4570	11627	8135	14683	28190	1632	3247	1649	11165	0	5035	0	0	1163	0	2144	0	23904	0	3141	1956	0	13994	23620	2711	292	0	0	4959	13121	0	0	0	5745	6784	6436	0	6227	5406	3842	4467	1814	3255	0	10238	12614	7636	3177	10323	2279	4517	17620	19476	25748	1282	0	0	0	0	0	0	8796	22145	4024	8375	1271	8667	9134	5348	6670	1761	3643	0	0	5190	0	28847	29150	0	2905	3259	6892	12265	11252	2358	2010	2557	0	0	4726	0	2276	12250	Phytochemical	0.42105263	0.68421054	0.05263158
18	C16 H17 O8 N1 S1	384.07477	384.07523	-0.047679882	384.07474	5172	5895	6485	4851	5030	2962	0	1745	2573	6487	6355	1331	9743	933	0	2797	0	8159	4096	5132	6901	16083	2516	1489	2789	0	1109	4240	0	0	1887	0	2304	0	11491	0	3249	0	0	12693	7879	1917	0	0	0	4171	4957	0	0	1477	1973	5276	2939	0	3729	2368	1858	2660	1724	3305	0	7483	5254	4583	1192	2481	3647	2041	4840	4662	4732	0	0	0	1394	0	0	1740	3262	7209	2971	3275	2868	5342	4244	2236	2761	3808	3851	2856	5784	12519	6132	12907	21659	0	3338	4488	3395	3474	1562	0	0	4563	2333	0	4213	0	2275	8207	Organosulfur	0.5	1.0625	0.0625
14	C16 H17 O8 N1 S1	384.07477	384.07526	-0.04783796	384.07474	10079	8792	8099	6506	5423	7869	3247	0	5811	27186	10752	0	12620	6559	2438	3806	3102	11991	9624	9821	18175	38326	1713	0	2767	6225	1890	10965	2757	2337	2434	0	4432	1466	37266	2682	3773	1878	2119	33223	36499	3505	0	0	0	9450	7898	0	2911	2865	7736	6514	8314	0	10097	7203	3911	6148	6524	14651	0	18595	7557	6789	2526	9305	5339	3481	0	8853	21883	1978	1379	0	1425	1893	0	1330	3849	17547	3141	6650	4868	12432	7435	2407	3898	4513	4059	0	16115	20259	7342	31779	37103	0	7336	7949	5445	4186	6072	4023	2201	7477	0	6762	4659	0	4153	14711	Organosulfur	0.5	1.0625	0.0625
16	C16 H17 O8 N1 S1	384.07477	384.07523	-0.034372743	384.07474	7333	5376	9711	6646	7645	6125	2601	3618	7834	20272	8851	2593	7841	4402	0	2434	2852	8689	8476	6410	10520	31490	1620	5002	4340	4413	1481	6845	0	1531	0	0	2477	1232	29767	0	5186	2619	0	21274	18337	3309	0	0	0	5321	8003	0	3052	0	7772	10670	6094	0	4261	6635	2431	2954	4865	5038	0	14124	8350	7125	1202	7970	3307	3742	8582	7991	10163	1289	0	1468	0	1217	0	1654	3215	21650	2140	5460	4786	7977	4731	3054	4482	3861	5150	0	14634	17416	0	23369	30293	0	5932	5770	3745	5367	4727	3017	1413	7954	7927	0	6343	0	4736	10815	Organosulfur	0.5	1.0625	0.0625
8	C16 H17 O10 N1	384.09253	384.09308	-0.1271224	384.09247	36407	41162	29516	42393	44829	24009	9805	18226	58403	49236	59824	24483	88045	12196	17486	24013	27197	62374	66342	45421	82201	66520	27944	22356	4872	3006	12521	14793	14809	15480	16673	16625	29197	17193	69240	14464	25699	15794	30149	45504	100063	35692	543	0	0	26717	56014	0	20806	16225	35835	38398	36196	0	80646	60765	27140	16912	20940	36523	22121	42625	117809	83780	29958	58102	28558	29420	18220	12227	25912	20242	16510	11792	22390	16400	0	15420	23992	23693	14899	15059	8561	11709	53995	21297	20570	38218	35619	39973	0	19915	35225	64294	45474	0	34388	43681	46862	63279	60091	37064	18993	23250	19726	25575	44802	0	9541	107516	Phytochemical	0.625	1.0625	0.0625
20	C16 H17 O10 N1	384.09253	384.093	-0.09845485	384.0925	6833	4668	6652	7299	11980	9376	2622	2049	12639	7625	3299	3471	28724	7658	4871	1906	3890	18320	17079	2244	6504	11583	8362	4006	2465	1376	1759	0	0	2176	2987	0	6648	2640	6020	2549	5759	2870	5049	4729	8539	6988	957	0	468	5392	10798	825	2652	2841	8663	4503	10378	588	14777	16504	4899	3563	3546	3520	2467	8074	17873	16579	7812	13852	4965	4666	4008	0	2463	2498	2749	2103	4251	2116	472	5014	5832	7408	2877	4948	1505	0	21918	9858	3788	6854	7484	7124	2523	4168	6924	9405	6198	0	5371	6587	5634	12860	10421	5528	3494	2169	8810	4412	11476	0	1523	20166	Phytochemical	0.625	1.0625	0.0625
14	C16 H17 O10 N1	384.09253	384.09302	-0.11128645	384.09247	49230	47972	50053	56664	80251	53426	17917	32983	102600	48719	66340	38164	168525	34310	35496	24214	46215	121576	103644	53332	84399	115206	54193	34387	11193	3629	17812	19649	23107	21312	26329	25969	48245	22334	91462	24377	41111	33573	37357	44756	89145	63221	3110	350	637	38431	80386	468	28708	24366	50363	50011	63093	399	140139	86066	45368	31764	29432	39739	38348	71008	151343	121063	43954	91161	57491	38156	34611	8738	22131	25283	21511	19727	31761	27886	328	31687	38715	71781	28629	31522	10897	11122	90438	46613	34478	55836	59271	43817	10233	32181	57010	99642	79304	450	52901	57346	62189	81360	91356	50743	36403	34490	51545	39991	68909	0	13577	155229	Phytochemical	0.625	1.0625	0.0625
16	C16 H17 O10 N1	384.09253	384.09296	-0.11690602	384.09247	36107	26854	31807	35466	55843	45958	11680	21186	68918	31766	31650	26113	122123	24954	31744	15987	28137	106884	90151	28658	42127	68256	39176	24064	10833	0	10852	10936	13833	13347	14457	17699	35608	15042	46701	17998	32174	23204	16581	30476	45491	43835	2550	729	490	25522	44636	901	21431	14765	32525	35010	51445	355	91362	67345	29980	20546	23393	31238	20641	30701	108852	79957	27551	78287	49526	22154	18379	11506	15825	18914	16088	11894	22114	14141	700	24926	26865	46160	25094	23149	7861	8263	77830	33987	30332	47293	42432	29811	6202	21964	33725	65380	41276	522	37978	41424	47894	55642	62984	38104	23891	19255	22654	29137	50562	525	11851	130609	Phytochemical	0.625	1.0625	0.0625
6	C16 H17 O10 N1	384.09253	384.09314	-0.14382824	384.09247	14424	16068	12259	14302	21009	7083	3389	8252	24597	16367	16293	9209	35852	4513	6097	7777	8050	28997	31233	13188	29626	18149	8339	7278	1302	779	4209	0	4955	5221	5805	6217	12625	5678	21916	5000	10760	7351	8240	12459	22621	14237	0	0	0	7132	15828	0	6270	5313	13180	12533	16324	0	29066	24440	9320	8808	5518	10272	8792	11476	53265	38232	9349	27039	12481	12730	5975	3224	6586	4410	6305	4526	4447	5877	0	5033	7174	3320	4931	4205	2861	2301	28824	7373	6258	18227	14704	10494	0	5866	11731	18952	14156	0	14294	10801	17243	29942	29723	12564	6788	7711	9464	9603	19487	0	3431	50070	Phytochemical	0.625	1.0625	0.0625
12	C16 H17 O10 N1	384.09253	384.09302	-0.12483889	384.09247	55388	59681	56228	61762	75647	42208	20620	39591	100167	82077	86853	40553	140130	31738	33875	33560	56944	125612	116846	84673	136424	150500	62515	40955	12854	4274	21353	21323	29354	27255	34040	29383	51484	26972	121520	23369	47711	38802	46958	64935	153017	63515	2065	414	0	48628	92093	739	28605	29993	62959	57835	72007	227	145501	96784	46670	32130	48182	54815	38870	86759	190962	139538	38823	111204	62118	58890	45632	17153	47422	32526	23839	25590	36316	26712	249	37676	37996	69664	38119	39627	16580	15563	100321	46107	38762	55128	59648	62073	19431	40514	65638	140904	67118	0	63137	72791	82065	85164	90556	55228	36378	34531	59552	47783	76681	0	15974	187133	Phytochemical	0.625	1.0625	0.0625
18	C16 H17 O10 N1	384.09253	384.09296	-0.10823766	384.09247	14753	15906	16835	15764	38224	26910	7621	13641	29986	12154	10123	14047	69293	18475	16381	9631	12618	53394	49252	9397	18777	25890	23764	10038	4320	2106	4126	4765	6918	6169	10317	8426	15165	7967	11348	6356	10855	11067	7613	9891	20646	18655	1020	353	618	9463	21101	876	9997	9515	17387	16470	29197	392	64400	40325	21270	7712	7890	8668	10284	14095	55735	47948	19904	41436	26377	10147	7778	3510	8208	7411	7829	5539	10951	0	517	12095	14525	14673	13368	6240	2226	4996	42300	20285	15610	20500	23149	10794	5443	13057	23300	27976	19176	756	21553	15251	24955	29984	31913	13687	15225	5660	10249	15973	30743	491	6474	69766	Phytochemical	0.625	1.0625	0.0625
8	C15 H17 O9 N3	384.10376	384.1043	-0.062610105	384.10373	19788	17555	11901	18433	16459	8396	4334	8205	21445	32216	34659	5911	26654	5356	7385	9283	8849	19138	22483	22885	41761	27391	14815	9054	4064	30216	3712	14424	4154	1815	6597	6099	11199	6025	67025	4461	10351	9185	11858	23977	38994	11362	0	0	0	16914	31916	0	6981	6937	13858	11571	9111	0	20977	17716	7197	7180	2072	10650	4563	16580	27121	20509	8465	20750	9370	15560	50314	61516	94998	6210	5817	2271	8493	5448	0	2166	13173	11182	10045	12807	5324	10976	17291	0	3329	14658	11158	16352	0	0	19504	30850	30257	0	16058	14447	17559	20983	16810	10819	7098	4856	0	9802	15041	0	5648	35739	Peptide	0.6	1.1333333	0.2
20	C20 H17 O7 N1	384.1078	384.1082	-0.15044726	384.10773	21099	20686	20013	21575	19709	12720	6511	4010	11820	81008	62301	3169	14405	11768	9783	8434	6007	16609	22006	40844	52525	58692	7158	7513	6684	56414	4732	42554	5173	5562	2661	5450	11124	3574	73786	3465	10471	5751	7032	60500	77227	9535	1086	0	0	33166	55005	0	4701	4261	24486	18780	16424	227	13328	12431	10210	7506	7291	11285	10168	34883	24208	14344	8479	21068	9480	8802	71563	84819	114132	2442	4626	0	6220	3851	281	3837	12751	62480	8284	28763	7336	32639	17906	12144	18225	12767	11071	16381	17156	23188	18620	71040	73933	0	25505	14794	15450	18931	13852	11153	3802	8995	23105	10002	10347	0	10611	27717	Phytochemical	0.35	0.85	0.05
10	C20 H17 O7 N1	384.1078	384.1083	-0.09201581	384.10776	8099	11278	9691	10723	9366	3334	2071	2340	9415	41860	23943	2160	11413	5110	3487	3093	2560	7100	13628	29229	31315	14347	4276	3406	1969	42707	2435	15934	3475	1287	1590	2817	4567	2355	40258	2305	5687	3855	2945	20528	32277	5409	0	0	0	14194	19624	0	2524	2554	7771	9546	5445	0	10086	7660	3053	3857	0	4835	0	10527	9136	7464	2879	9436	2540	5821	54719	52588	67965	1323	2320	0	1779	1848	0	1404	7283	9753	5243	10141	2404	11739	9113	4084	5962	3492	4130	6009	0	9176	5278	22073	23817	0	10975	10435	7563	10206	10213	3016	2080	3567	0	3480	7751	0	4170	10111	Phytochemical	0.35	0.85	0.05
22	C20 H17 O7 N1	384.1078	384.10815	-0.20605606	384.1077	8358	13792	9361	12160	10681	5861	1950	2416	7200	35338	27141	2647	10689	0	2412	4632	5411	11628	10373	11808	28309	25445	3126	3170	3503	29477	2355	20084	3270	2047	2634	0	5511	2321	40452	3282	6244	3594	4075	26219	41778	6110	0	0	0	21496	29719	0	1929	3895	11416	13928	6501	324	8583	5413	3782	4048	2723	5685	2736	19223	11507	10663	2494	8754	9259	4215	38308	30076	55544	3224	1750	0	1961	2000	0	3628	7829	28892	3809	18560	4006	17124	7139	5835	6818	5064	7098	10305	7426	8225	7970	39614	43132	0	8374	8289	7365	6025	6613	3793	2946	6100	15532	4280	6095	0	3369	10376	Phytochemical	0.35	0.85	0.05
14	C20 H17 O7 N1	384.1078	384.10822	-0.19728373	384.1077	19023	19888	14505	19736	11818	7428	4381	6578	17266	78032	48369	5136	17646	11510	4574	8791	7586	15311	20483	47120	67505	40016	6339	11629	9067	92434	5957	42276	4620	3794	6435	0	8416	7633	82044	5723	11326	5816	9224	49844	60499	7499	0	0	0	23547	37902	0	6362	5298	23626	17546	11205	0	14416	11017	10329	9879	0	6176	0	23758	27526	14276	5874	18793	8900	7395	91580	116185	148391	4537	4242	4523	6156	7639	0	5871	12581	37040	9184	22144	5963	31299	15504	8188	14056	7491	7234	12645	16411	15768	12785	59740	56434	0	23684	16255	12776	18212	15324	4806	6429	7434	0	5401	14240	0	8987	20145	Phytochemical	0.35	0.85	0.05
16	C20 H17 O7 N1	384.1078	384.10822	-0.13291225	384.10773	26079	27023	24773	26825	24665	13942	6548	6088	24613	90619	69376	6417	20011	13995	6377	15029	14639	29698	29365	56774	79341	59554	10119	14129	8590	102049	6408	52423	4853	6356	4861	5952	13315	7110	109790	2772	9614	7351	12445	70705	76298	7630	324	0	0	32975	49639	0	5534	5765	26983	35839	14770	0	25800	16077	11078	13136	7016	14387	10731	39162	33063	19019	7315	23942	13168	10639	101423	140203	176764	6179	5661	3132	5202	6292	0	3351	19268	64166	10971	30976	8670	40820	21086	12660	14147	16344	13884	0	16359	21393	0	63410	91664	0	33928	26074	16143	18487	19914	8496	6898	8787	19973	0	12414	0	12165	28941	Phytochemical	0.35	0.85	0.05
20	C17 H21 O7 N1 S1	384.11115	384.11157	-0.109794244	384.1111	4399	8879	6595	5072	5806	5437	2702	3383	4855	11345	7813	2439	8273	3346	1968	5223	4279	11743	6646	8778	11871	16046	2395	5140	2287	15079	2266	8598	3648	1753	1821	2432	3569	2918	20975	1953	5358	1130	1723	15940	10948	3410	0	0	0	3953	5955	0	2886	2042	7848	5247	5995	0	9967	3667	2092	5236	5175	5592	5111	14502	4385	1634	2945	4112	2393	2574	10473	14106	11550	1456	2962	1500	2727	2367	0	2569	2957	9585	2992	3549	4822	13466	2916	3153	4049	3661	4584	3479	18024	16966	13417	16705	19691	0	6899	11310	3778	4561	3534	6329	1545	6861	5690	5606	7337	0	4194	7283	Organosulfur	0.4117647	1.2352941	0.05882353
10	C13 H21 O12 N1	384.11365	384.11438	-0.15472545	384.1136	31166	29904	26990	27236	32367	9943	11509	10734	26902	50324	9602	11228	34044	19657	19482	10055	12264	29970	31406	13836	35612	52020	19168	13043	5212	13737	5029	5287	10045	5912	5752	7790	29680	8399	57412	10033	15454	17448	13218	42450	50410	20708	0	0	0	14891	39062	0	10533	8508	18590	16015	22754	0	33970	22174	10772	12371	12455	27882	20539	29364	36438	28512	6364	28102	9171	15731	8105	14508	22550	8616	11785	5597	5895	6622	0	8693	13343	0	8166	24298	9523	10159	9779	13370	13137	19596	21064	17374	12351	24758	20804	36534	18934	0	15556	28242	10534	16564	21468	14934	9178	11976	0	13223	22419	0	7818	47560	A-Sugar	0.9230769	1.6153846	0.07692308
4	C17 H21 O9 N1	384.1289	384.12955	-0.20187357	384.12885	14391	13444	14576	13887	11991	7849	3746	14226	17288	17384	17907	10670	26882	7470	7650	12799	14867	20015	19031	16195	26603	20428	12913	16340	4978	6806	7403	5239	11715	11793	10150	10076	13618	9851	25443	10267	13315	7656	20934	13279	22831	9957	0	284	308	13157	17710	0	12292	11924	13685	12477	12305	428	17618	17751	8176	11023	9226	15140	13074	9767	56168	38224	10118	17101	9836	17745	12772	7180	12753	9871	10673	11983	3442	8607	220	9002	9211	8231	6915	8011	7681	5272	19371	9490	7708	12174	12871	14441	4870	11331	22612	11018	13175	0	12803	15946	10947	20020	19010	15716	7642	18936	10893	13182	13054	0	4494	27477	Phytochemical	0.5294118	1.2352941	0.05882353
6	C17 H21 O9 N1	384.1289	384.12952	-0.1392722	384.12885	66072	75295	63238	68180	42751	31714	28652	64709	61908	111770	79272	46988	93983	21536	43635	72175	65853	79729	167976	93647	265172	187286	53695	74850	20211	29513	30428	34626	50351	57312	52483	57539	78844	52364	123153	59321	66335	43197	78413	70615	234450	48940	975	0	317	68983	100453	0	69752	61209	65178	70309	46850	467	86712	60714	32831	61610	50534	77701	64091	58595	199558	75443	35106	62814	49866	87225	60479	42966	83809	55559	56650	57295	36350	48077	239	37625	43413	35531	40672	34054	31414	27825	65724	38701	38863	47565	53380	77078	26107	50002	86354	65891	69244	409	68929	64613	40167	50734	62915	75528	46154	77783	66848	63355	48082	0	27726	214358	Phytochemical	0.5294118	1.2352941	0.05882353
10	C17 H21 O9 N1	384.1289	384.12943	-0.069836915	384.12888	380402	347096	348498	306361	230954	192906	185744	373574	317464	735130	419118	258877	414686	112901	247966	327256	278843	441224	444051	719565	794432	570657	300723	364492	147440	246355	189131	220226	298563	311095	297052	322383	418421	298601	880431	308025	404154	231575	318373	606780	623497	228584	10713	1160	1002	399339	449189	873	314553	310295	359007	378987	217833	1455	521864	246570	154652	304190	360649	315155	399231	441950	385785	382095	141414	297010	227996	297461	457036	363507	418082	325876	305332	310232	249311	291496	0	228401	236193	244365	221460	261005	199897	211775	265744	184184	199838	213605	235189	263559	206653	288327	391920	392981	516631	2902	363467	405220	219109	191226	218923	394006	241393	428620	317546	285842	233713	817	169705	469875	Phytochemical	0.5294118	1.2352941	0.05882353
12	C17 H21 O9 N1	384.1289	384.12943	-0.07974874	384.12888	446105	461075	488639	455559	312045	278608	299279	520796	449873	998501	520153	287272	519840	140038	347525	372924	379420	678835	675938	1025101	1108533	844717	431392	460807	227651	350613	214754	331088	476912	361388	420337	394471	607545	390126	1434492	401735	523221	316000	358293	833242	717841	326112	10889	1219	1108	582547	541069	1176	421121	443623	456889	445965	358491	1464	770538	342631	229530	398755	559326	403168	472598	685756	618421	537597	173035	446496	323526	350502	732638	577774	600243	402059	413648	424429	296262	361244	652	339480	305892	366231	293843	385619	297586	330702	341166	267331	262863	266138	346327	370227	312726	533145	532667	502686	588740	3290	484051	558376	325517	228610	265467	493269	316405	492965	462998	423500	327041	1022	216442	692268	Phytochemical	0.5294118	1.2352941	0.05882353
8	C17 H21 O9 N1	384.1289	384.1295	-0.106488675	384.12888	181454	188986	134790	183830	108371	89399	83929	173723	161735	325714	211237	132877	206259	51535	118440	174797	172982	186528	218058	294912	354548	281017	152700	188367	58728	90849	92463	103416	135455	152087	137208	162181	165296	142286	404523	150858	167264	107645	175053	277850	684324	116418	2740	595	482	194327	280115	363	162922	165058	187218	171573	112556	652	214835	140078	84324	142497	152396	188279	199560	198169	231866	199111	86235	144190	105431	189554	193245	144384	225243	159122	146117	134973	117349	149058	278	105849	130439	115193	113321	120603	91159	103915	143106	89633	104337	113823	125255	185337	79681	146786	205100	199813	241075	857	181495	202200	111368	124307	128795	189116	106926	226186	150357	151865	125574	343	79378	231478	Phytochemical	0.5294118	1.2352941	0.05882353
2	C17 H21 O9 N1	384.1289	384.12955	-0.18769655	384.12885	5166	4638	5329	3759	7017	0	2391	5916	8477	6341	6139	4235	15468	3255	2729	934	4101	10402	10321	4647	12196	8455	4768	3155	1278	1470	0	1520	5523	3705	4257	4024	8657	4406	8879	4116	5560	2613	4152	5103	7005	4662	202	0	0	3686	3998	0	3986	3341	4768	4413	5061	228	9118	5873	4356	4698	2554	3583	1286	2938	33534	10259	4182	10608	6888	5532	3208	3429	3775	4201	5095	3687	0	4641	0	3378	3518	0	2421	1862	2014	1257	7342	2500	3234	4034	6137	6456	1886	3808	5675	5231	1089	0	5377	3823	5366	7891	7297	5655	4469	3652	1933	6687	4545	0	2026	14859	Phytochemical	0.5294118	1.2352941	0.05882353
8	C16 H21 O8 N3	384.14014	384.14066	-0.2202218	384.14005	45014	44575	33506	40362	18074	21138	21045	49431	30130	31845	25311	35341	36997	8413	38878	47732	44752	35924	44215	34916	37447	64882	43997	47486	23612	1794	25102	11058	39276	32005	37588	44967	49464	33411	34053	37259	51594	35305	47342	37665	40902	28175	0	0	0	40294	41099	0	45185	40868	36753	37678	25769	0	39303	14756	21173	40684	41866	34880	49456	34678	39737	35496	23117	33953	27446	53814	9322	7137	12177	45207	39827	34691	31312	32083	0	32412	33959	13518	24194	20766	22767	12677	23053	18219	33802	30098	35825	67212	30947	49826	94322	25942	26417	0	46120	46016	15250	16047	18188	50130	29986	50015	19798	47435	20521	0	26201	45788	Peptide	0.5	1.3125	0.1875
12	C16 H21 O8 N3	384.14014	384.1406	-0.26005268	384.14005	15978	13751	14982	16899	6937	9752	12495	23245	9450	7326	3747	15607	8745	3549	19408	18910	19034	14809	15641	13649	9773	20489	16783	15119	14687	0	11710	0	18095	11265	17613	14661	18216	16817	14428	16257	16163	16902	22568	14412	15016	10462	0	0	0	10732	12361	0	15180	14916	15308	14903	10276	0	15942	4155	8935	22820	20311	12772	18898	9360	9983	10777	8133	11933	12308	19218	0	4271	3778	15857	17084	15981	14878	11182	0	16260	16283	0	13461	8011	9673	4972	9003	7984	14426	10481	11440	26511	15258	24660	40867	10448	6976	0	17570	16031	7708	5076	5098	17064	15763	11546	0	26764	6673	0	15294	19220	Peptide	0.5	1.3125	0.1875
6	C16 H21 O8 N3	384.14014	384.14072	-0.20373233	384.14008	37867	39297	35449	36127	18922	18048	19277	43479	29608	25592	22757	32900	32374	8519	33414	46828	42654	42106	46198	25054	38994	56210	37013	52777	16209	0	18273	12417	36092	31477	36569	34598	49044	32346	41822	34639	42501	29393	57192	25776	45125	28553	0	0	0	31098	44706	0	42653	38010	41150	36885	24939	0	40780	17532	17983	41361	33093	42085	46833	23576	45119	33030	19650	37151	36220	58210	6872	6998	13623	37277	35325	28365	25536	27425	0	24962	23498	12050	24851	19522	17045	8231	29264	23904	31538	38595	33622	68847	18021	42711	82768	28123	28263	0	40049	36466	18561	17673	23087	53724	31765	46469	23510	47193	20195	0	17042	50768	Peptide	0.5	1.3125	0.1875
4	C16 H21 O8 N3	384.14014	384.14078	-0.20792188	384.14008	14452	17074	16053	16243	9650	8137	6248	14914	16021	10004	8910	12231	19296	4173	12090	16671	23047	17155	19513	11110	15637	24914	15338	15108	5316	932	7856	4003	10402	12396	10665	13532	18890	10559	17178	11046	17759	11156	32523	11520	17197	11915	0	0	0	11644	21889	0	13041	13861	14949	12941	10618	0	19671	12463	9429	14544	13552	16592	17544	9741	23909	16044	11186	15617	11627	24308	3400	2312	5896	12323	9251	10356	6261	9751	0	10405	12431	7554	10047	7839	6422	4068	15485	10910	11782	14796	15082	31227	7959	15847	36224	12512	9374	0	13982	14750	9685	13699	13822	17844	12352	16893	13866	14757	10096	0	7478	26003	Peptide	0.5	1.3125	0.1875
2	C16 H21 O8 N3	384.14014	384.14078	-0.21570885	384.14005	12265	13469	9273	14243	13074	0	5659	13326	16680	6190	8122	11859	23908	5016	8310	1787	15995	19573	18730	6094	14805	19002	12423	10930	3328	644	0	5334	13508	8121	14500	10824	23954	10857	11048	10161	16804	8901	16233	8071	13691	13176	0	0	0	6404	8414	0	11058	7478	11573	12173	12483	0	15165	8628	7716	17921	6519	10380	3758	4711	29829	18949	8924	20202	14277	19454	2138	2899	3093	9832	11459	7753	911	10421	0	8159	9986	8705	7938	4931	4332	2543	12165	7279	10884	18865	16646	25580	9948	12701	30532	10765	1003	0	13036	11077	8216	12804	11546	12547	8950	7611	5306	18594	7901	0	7177	30634	Peptide	0.5	1.3125	0.1875
18	C21 H21 O6 N1	384.14417	384.14456	-0.17613187	384.1441	47268	41945	45218	35548	27815	25103	14081	20431	26449	145370	104103	12828	26192	25654	14628	27045	21601	28467	35440	124520	129672	64646	20510	26011	17057	180664	14049	91699	13068	14846	9032	15959	24800	20655	115753	15309	25405	12873	21397	104372	115560	16425	765	0	0	57474	65770	0	16662	13608	45114	43283	25788	0	24251	16360	14724	29204	17428	26357	29394	69828	28812	17559	13352	28990	23179	23418	160861	195167	283773	17072	12066	9222	18220	18602	0	9803	27074	66757	16282	42706	18166	66101	27846	14259	26418	21067	20046	43879	42315	47932	35201	66229	90860	0	40764	37542	21727	19646	21288	22846	13575	25737	26262	32864	17626	0	20161	28508	Phytochemical	0.2857143	1.0	0.04761905
22	C21 H21 O6 N1	384.14417	384.14453	-0.1540962	384.1441	23094	30597	16022	19239	15606	8135	3764	6284	13261	60195	51105	4893	7456	9362	8438	13001	9896	24418	13568	47113	56531	29171	8196	18042	7925	67267	3517	62831	7496	4044	7568	12286	9184	6704	56828	8551	9631	4157	7514	46963	70539	9426	2832	0	0	33331	40647	0	9076	5831	21171	18577	12810	524	12865	9313	9014	15790	8873	9452	9772	32985	10766	8807	6164	10592	13111	11301	84132	79095	129814	4756	5035	4569	6555	4833	0	5275	9066	33249	8549	26816	7776	38436	12086	6524	13319	12208	10796	12353	16133	20579	16845	34234	46117	0	19213	21378	8266	10818	8455	11554	6285	14220	24574	13123	11076	0	9506	13731	Phytochemical	0.2857143	1.0	0.04761905
6	C21 H21 O6 N1	384.14417	384.14474	-0.1659486	384.1441	5079	4812	4110	5136	4449	2384	1863	2529	3999	14605	10924	1653	3374	2472	2222	3802	0	4661	2973	15384	18276	6502	3025	3351	1855	24239	2586	6594	2315	2150	2774	2578	3763	2364	15621	2184	3282	1655	3535	6954	10980	2322	0	0	0	8211	10834	0	2333	1765	5166	5558	3247	0	4838	1904	1619	3844	0	1672	4105	5488	3595	2790	1609	2607	2994	2523	18334	31485	36377	2262	2145	2517	1337	1619	0	1127	4321	7243	1741	3954	899	7888	2878	1941	3296	3297	1705	3405	0	3668	4526	5446	11495	0	3791	4665	4017	3555	3305	2660	1212	3170	0	3016	2582	0	3569	3546	Phytochemical	0.2857143	1.0	0.04761905
10	C21 H21 O6 N1	384.14417	384.14462	-0.2465389	384.14407	18260	13188	15262	14126	9936	6317	4704	7992	9789	66590	48871	3697	9968	9123	4408	12996	4665	10062	15659	73462	75894	29096	5626	10402	5395	92728	5609	38029	5004	5965	7508	7829	9625	5313	70600	5841	9167	3232	8070	40557	41125	5308	0	0	0	25787	33579	0	7319	5034	14067	17266	7722	0	10178	7803	4103	11138	0	5712	0	23375	10263	7637	3226	12509	9868	9199	93589	112738	114823	5810	4502	3319	5294	4080	0	4125	8813	20392	6514	11245	4257	28000	10983	6329	8098	6142	5351	17517	14688	11093	15114	30284	53522	0	16991	17912	7990	6914	11413	4852	4242	9460	14531	7824	5515	0	5786	9613	Phytochemical	0.2857143	1.0	0.04761905
24	C21 H21 O6 N1	384.14417	384.14453	-0.15130864	384.1441	7417	5703	5704	7319	3006	3900	1492	2645	3179	24301	27978	1761	2122	4438	0	6739	3881	4590	4496	15062	20865	8360	3764	5432	3477	23911	0	22855	2178	0	2949	2001	2432	2164	23927	1839	2855	1706	2347	23640	33264	4261	0	0	0	14539	23658	0	3235	2862	7872	5599	4069	0	5408	4082	4319	3419	2377	4163	4789	17476	3902	3309	1122	5636	4200	3125	28869	27174	54056	2577	1874	1303	0	2158	0	1972	3258	14791	3300	9486	2197	11841	3495	0	4247	2759	3793	5643	4651	6789	4116	15549	17240	0	6063	7504	3327	2687	2340	3426	1160	4654	11026	2855	2654	0	3265	4831	Phytochemical	0.2857143	1.0	0.04761905
16	C21 H21 O6 N1	384.14417	384.1446	-0.1955502	384.14407	31673	45253	37030	32305	23958	17592	9160	15990	26642	113726	70277	9253	19427	18277	10234	14029	17023	21355	28944	110504	122887	56768	12702	26997	13974	151041	11104	72639	14167	11660	11096	13632	20847	10858	124538	12584	19856	12630	22886	87405	102581	12985	437	0	0	41408	61144	0	22359	13066	34450	34157	16702	0	19458	18513	11275	19531	7890	19451	22344	49316	24330	12351	11384	26022	15584	19751	155992	210852	236683	12404	14488	7816	12260	16957	0	11855	22207	48077	15835	32869	16659	63508	23950	10705	23740	17064	15794	43719	42089	34255	38385	56574	71732	0	35549	29027	15604	17303	17724	23239	9591	24132	25970	20145	11581	0	17678	26499	Phytochemical	0.2857143	1.0	0.04761905
12	C21 H21 O6 N1	384.14417	384.14462	-0.2361676	384.14407	16798	21339	21148	21982	10466	8178	5471	10275	11765	66819	52696	6706	9387	7129	6651	7267	11568	13473	10468	79218	85499	30006	9937	6820	7728	109895	5527	58385	9854	6943	5229	8174	14846	6671	85669	6481	8489	7065	9487	51923	61329	8212	0	0	0	35481	37683	0	11020	7934	15888	21307	10623	0	10781	8249	5214	11824	0	10373	0	28020	14827	12216	5005	12406	9312	16860	95984	154461	171747	6459	7299	5587	7099	5804	0	5032	10797	30101	9147	16514	6599	31553	11403	5347	12455	8230	10448	21315	21113	18725	20336	31736	46539	0	18911	20553	10886	9553	8603	11960	4001	11393	0	8361	8714	0	10263	11735	Phytochemical	0.2857143	1.0	0.04761905
20	C18 H25 O6 N1 S1	384.14752	384.14798	-0.014641636	384.14752	22652	22318	20193	16076	17092	8978	11176	8770	19184	28264	17586	6164	17046	8928	9960	6954	8930	18350	19870	46246	36090	28630	8180	18124	14198	43944	7510	22372	5434	6562	5466	8974	19288	9710	31240	9558	21300	5838	11202	42526	38726	7502	0	0	0	19626	24322	0	8830	8662	19710	17302	15146	0	15492	19392	9236	12414	22494	24048	12898	22176	12838	11062	4976	22554	16762	11674	32391	42422	35720	11376	6192	0	7540	9044	0	4754	10670	29804	10682	14266	10718	21638	14898	10754	8472	9822	11780	15836	53398	63890	18124	24630	47196	0	26092	27374	14756	15302	14446	15214	7724	32752	20696	21144	14190	0	14264	19890	Organosulfur	0.33333334	1.3888888	0.055555556
10	C14 H25 O11 N1	384.15002	384.1505	-0.30814686	384.14993	42336	38909	39337	34782	35545	24086	29747	54919	25180	45582	23673	27761	33262	50731	37220	48841	32336	30081	38292	48204	49821	57830	40267	52164	30617	23956	32106	15548	48564	44452	44522	49287	59036	37704	59741	45316	59922	35666	41166	61363	49228	0	0	0	0	36257	34011	0	44911	48032	40820	40616	29569	0	34154	27801	18181	51802	50910	26457	48524	32179	24964	28680	17085	25922	26749	36016	23030	33300	39361	45202	38056	41030	27315	38720	0	35476	32409	18417	27590	25662	27639	20958	16148	17342	29524	27831	24472	36742	35931	51175	79134	28017	33418	0	43406	37767	12439	15028	16006	52369	34530	51915	20876	53227	52658	0	34582	38359	A-Sugar	0.78571427	1.7857143	0.071428575
0	C14 H25 O11 N1	384.15002	384.15088	0.027177187	384.15005	2198	0	0	3150	2245	8292	0	0	0	0	0	2265	4156	0	2111	0	0	4050	2273	0	0	1753	2409	3172	0	0	0	478	9641	0	4178	6151	6367	50416	0	4216	0	1863	0	0	0	1736	0	0	0	0	0	0	5189	1801	0	0	1680	0	1162	699	0	0	0	0	0	0	5362	1295	1474	3788	3750	1639	0	0	0	22120	17279	2653	0	5357	0	4460	0	0	0	0	0	0	673	0	1379	12475	3335	1655	0	0	4131	0	0	0	0	2525	673	706	0	1985	2677	0	0	4272	0	0	0	4377	A-Sugar	0.78571427	1.7857143	0.071428575
16	C18 H25 O8 N1	384.16528	384.16574	-0.13043809	384.16525	751729	756208	759184	794257	587223	526146	500231	1056230	677024	1136224	581106	569360	939031	337298	777639	958941	659869	1064882	1168723	1689986	1500097	814037	862532	1095761	631524	1658555	386064	517184	940303	933872	810731	850179	926187	808645	1254767	987470	891744	562601	585332	1169950	825974	639540	21248	4532	4073	985578	876550	3198	914367	1016378	775995	781035	588598	6167	947796	643386	410734	799954	757923	587718	944345	750097	737504	665286	318575	702292	544585	501030	1496023	1913341	1419545	956625	895886	1065277	722663	805204	2633	607658	626319	478557	558345	591990	580739	674438	735776	487708	555283	544712	569122	528273	602657	839946	1112157	452616	892140	7911	758556	965376	482989	444445	567887	953942	524074	978515	467992	764821	597506	3363	552184	864607	Lipid	0.44444445	1.3888888	0.055555556
12	C18 H25 O8 N1	384.16528	384.16577	-0.1704551	384.16522	422202	452618	471619	434561	310729	285594	389814	857240	384837	663691	365123	394066	440253	151837	517477	543803	545680	607796	670700	1063476	1129886	625337	625890	676377	453779	921490	242363	387255	810047	549509	602644	503610	708796	520753	965331	607042	572451	435865	505935	738709	562698	373848	13357	2489	1726	736115	588000	1797	525176	611030	465217	439870	347299	3144	647659	355729	246129	495154	685935	550484	658023	536988	473953	421927	191986	394903	325531	477247	904021	986607	920746	560358	564141	669431	395867	494667	1193	471716	457888	354418	492209	461576	506531	404118	437184	312340	404047	262677	391175	478278	380968	541629	734242	368131	427116	6693	479079	625716	324896	261795	318405	569700	423649	651398	491985	506139	357565	1813	388827	516969	Lipid	0.44444445	1.3888888	0.055555556
28	C18 H25 O8 N1	384.16528	384.16565	-0.228449	384.1652	8534	6682	7654	7788	4739	5724	4578	8900	5339	9560	4661	4599	10165	1686	6268	8797	7250	10449	9449	16255	15526	6606	8392	11398	4443	15956	3627	6449	8239	7235	6620	6526	6530	8715	12655	6701	7421	4152	6250	7115	7186	5371	1588	1673	0	5900	6822	1198	7989	10807	6741	7348	5585	0	8254	6357	4636	7159	4842	5145	6472	4044	6957	5579	2169	4761	5021	4855	13752	20033	18426	9918	8611	7091	7904	6555	0	4931	5315	4016	4900	3578	4182	6279	5547	2935	5719	3906	5270	3620	6500	8669	7645	2659	5187	1513	7238	8599	3563	3922	5907	6852	4500	7096	4425	7057	2434	1474	4474	7255	Lipid	0.44444445	1.3888888	0.055555556
12	C17 H25 O7 N3	384.1765	384.17694	-0.3100216	384.17642	14772	15694	17527	12548	7524	6671	17626	30350	6687	11765	4542	13102	7282	3154	24844	18259	18721	15999	18362	12944	9203	27353	20996	26813	24516	3275	10541	0	28418	16265	25061	28294	25015	22894	18954	25585	28577	22078	24547	15010	7075	11089	0	0	0	20184	7922	0	21817	18467	17056	18597	11271	0	13133	3298	7330	23878	25203	10778	27456	8058	13204	9634	5947	11606	13116	18267	0	7432	4339	23811	19573	22672	14367	17978	0	18062	17358	17240	14101	11168	16424	7034	5152	6601	20807	11901	14227	37463	35657	42975	53376	8944	7830	0	19725	17328	3838	3295	3509	24416	15215	17234	0	25511	5988	0	18142	16422	Peptide	0.4117647	1.4705882	0.1764706
28	C22 H25 O5 N1	384.18054	384.18088	-0.2016605	384.18048	3673	3698	4350	4445	2544	872	3291	11284	3538	2757	2929	4792	0	1383	3240	23828	7120	2930	3393	0	0	6848	3740	24507	6276	0	0	1719	4596	5631	4627	6484	7438	4183	1013	4938	3982	3592	7095	0	3412	3216	0	0	0	0	3587	0	6080	6907	5059	6625	2809	0	0	0	0	22375	1268	2102	22306	0	0	1490	1412	1196	1911	10177	3165	1351	5041	6436	4698	2460	3441	5039	0	3875	6682	2998	3798	1677	0	0	0	2030	8494	2844	3883	44306	2314	2755	28007	1241	0	0	4205	4271	2723	2051	0	6239	3690	3148	0	21903	1411	0	8882	3534	Phytochemical	0.22727273	1.1363636	0.045454547
6	C22 H25 O5 N1	384.18054	384.1811	-0.23014566	384.18045	6328	5017	5289	5167	1880	1492	2232	5472	1258	13379	9301	3013	983	2372	2827	5470	4889	1861	3574	15754	19498	5396	2386	5931	3296	23624	3427	6034	5478	3615	4112	5752	5989	5308	15297	4810	4477	2774	5041	11393	6771	2018	0	0	0	7085	7661	0	5232	4239	5398	4880	1565	0	1698	585	744	3501	0	778	7238	6360	0	1927	857	1157	2372	6294	17426	29361	25397	5254	5856	4270	3039	2698	0	3216	2571	3826	2495	1195	703	7367	1405	950	2999	2348	2388	7784	0	2232	9335	6995	11055	0	5583	4944	1582	1076	483	5009	2723	5165	0	5071	1203	0	3413	1412	Phytochemical	0.22727273	1.1363636	0.045454547
22	C22 H25 O5 N1	384.18054	384.1809	-0.17925556	384.18048	29491	31444	27318	30497	18743	15901	12113	26026	15336	53827	59247	13736	14427	18842	17008	31214	22180	15930	22808	63331	54976	31969	15436	33216	17632	111587	9778	67464	19156	14682	19277	21553	30614	20150	54434	22806	25316	11911	19138	59386	76545	20397	0	0	0	35361	41519	0	27207	19425	24711	32582	19093	0	13745	11140	14718	28551	17354	25293	27825	41060	12338	11867	11080	21544	27419	25387	103736	107469	130617	23378	20620	9929	13729	16402	0	17222	20881	32601	17110	23440	17886	54346	15984	10575	24393	21598	20631	45436	38137	28934	47537	40905	43912	0	28604	30597	15466	14094	14453	24303	13349	24731	20444	25557	18893	0	22152	18964	Phytochemical	0.22727273	1.1363636	0.045454547
10	C22 H25 O5 N1	384.18054	384.181	-0.28307116	384.18045	10696	10468	13269	13224	2527	4850	4607	6694	4094	32015	27040	3370	4784	4645	2331	9243	10318	3175	5495	53931	58711	9547	4715	10345	5075	73028	4286	25819	6770	7500	7028	6084	9137	4322	36761	7221	9272	4365	8391	25105	23114	3108	0	0	0	13476	16716	0	7096	5447	10615	12666	4408	0	3436	2007	2614	6795	0	2873	10584	11825	4310	3577	1643	4935	6356	9598	56153	90431	84401	7101	6178	4454	6113	8017	0	4488	7608	12618	5792	2036	838	18468	3966	2585	5915	4932	5013	13857	13828	2426	13502	12255	23352	0	12085	11448	3895	1841	3521	11252	2990	7897	0	8278	2466	0	4331	0	Phytochemical	0.22727273	1.1363636	0.045454547
20	C22 H25 O5 N1	384.18054	384.1809	-0.20509435	384.18048	27614	38349	38940	32582	21112	17867	14471	24058	15436	52366	66890	16160	15899	16999	14781	35405	30666	15758	21492	74584	79933	46404	17211	32784	16546	144223	14046	58206	22009	20675	16982	24012	26673	25038	59729	21260	33563	16106	28901	69103	93843	16925	762	0	0	40872	54546	0	23169	23666	34953	38086	21529	0	15733	10664	11367	31392	18825	31715	31082	44165	12678	16321	12608	25961	24942	31686	131922	133925	184001	22576	22521	15497	21103	20543	0	14428	28119	46996	18544	22614	28293	59778	13598	13783	33732	22568	24762	71194	43708	38589	52670	43310	44813	0	33485	26933	14389	15496	13337	29032	15980	36387	26467	28719	14350	0	25846	14651	Phytochemical	0.22727273	1.1363636	0.045454547
24	C22 H25 O5 N1	384.18054	384.1809	-0.20690069	384.18048	15910	17508	11648	14740	12101	8964	2872	11403	6838	26093	33319	7118	7918	7001	5348	20346	10132	8033	13805	27722	31859	16052	8532	22341	7251	54771	3091	39523	10578	9818	10490	15573	14413	15625	26046	12696	16031	6173	12833	38007	43917	8683	0	0	0	21038	27808	0	9884	14172	13028	15360	12022	0	6677	6824	5587	16643	9151	10051	19926	26210	9825	7270	2960	14142	10694	12331	63679	45548	63647	13953	12695	12227	10301	10247	0	8100	13214	20262	7222	14191	9951	27495	10570	4760	8515	8921	8921	21574	13787	14540	20774	24308	20295	0	15201	15989	9689	9422	13528	14643	6580	17999	12759	19007	7620	0	7446	9323	Phytochemical	0.22727273	1.1363636	0.045454547
18	C22 H25 O5 N1	384.18054	384.18094	-0.237836	384.18045	27942	36583	31309	28059	11721	15916	14818	23920	7661	48532	54442	11125	10599	15996	13311	28271	24801	13230	19545	59854	63893	33978	10526	32556	14482	123654	12751	57155	18539	22912	18113	16576	26368	19782	54261	18874	19063	15411	32539	63637	73588	13395	310	0	0	25350	38516	0	22361	20333	28432	30849	11639	0	13775	6275	13268	25068	13335	26797	28561	38520	9198	9984	8473	17675	12298	36603	92697	119007	171532	20052	16706	16706	20008	17782	0	13258	26409	35002	15582	20602	12720	41829	9956	8989	22295	20560	18625	55725	35149	39330	45630	34118	41578	0	31138	28298	11562	11403	13030	22425	15033	29236	15209	31008	9339	0	23228	10616	Phytochemical	0.22727273	1.1363636	0.045454547
12	C22 H25 O5 N1	384.18054	384.18097	-0.31925786	384.18042	11251	14266	13832	8795	4462	4298	6964	7616	5869	36577	25643	3344	2144	4747	5486	11217	5299	4651	7592	54495	52374	6972	6081	9288	4670	78651	5380	22695	7689	4624	5032	8372	8966	5964	51929	5434	9947	6127	7754	35657	29106	5265	0	0	0	12882	21889	0	8911	6605	8632	14804	4466	0	2746	1245	3407	8831	0	0	0	11924	0	3329	2330	5731	6820	9918	51309	91223	101750	5993	5016	3495	5309	4992	0	4697	6423	17369	5593	3431	2756	20606	4267	2250	7425	4062	4585	19190	15127	6999	14003	16706	25456	0	10660	11695	2402	3623	1994	9127	3014	5333	0	7292	2858	0	5795	4836	Phytochemical	0.22727273	1.1363636	0.045454547
0	C15 H29 O10 N1	384.18643	384.18765	0.5195178	384.1866	0	2365	0	2365	0	0	0	0	1128	0	3213	1710	5818	0	0	0	2007	2747	1511	0	0	2734	2501	0	1586	0	0	12027	3728	0	4416	2960	5612	0	1223	4201	0	1421	2663	0	0	4032	0	0	0	0	0	0	3370	1950	2418	3007	1991	0	2307	827	0	3801	0	0	0	0	0	1487	1552	3358	0	3257	0	0	0	0	0	0	0	0	0	2207	1890	26387	1548	0	0	0	796	1346	1695	0	2599	3963	40560	9218	4823	3198	0	0	0	2163	868	494	1091	2667	0	0	0	3193	1194	0	0	7821	Unclassified	0.6666667	1.9333333	0.06666667
28	C19 H29 O7 N1	384.2017	384.2021	-0.15649472	384.20163	7687	5920	6687	6452	10416	3184	3411	6557	4444	10253	3610	3370	20779	4271	4393	9172	6950	9432	11132	11026	10937	4125	6409	6320	3715	13316	3532	4421	7998	6253	4319	6690	5439	6315	8271	8197	7433	3729	6254	6206	5900	4834	0	0	0	5218	4556	0	5865	7250	6931	6629	6258	0	10131	10199	3035	8439	2643	2723	8897	4455	9225	7398	2103	13745	4889	6110	11021	20828	20963	7463	4647	8348	5180	2952	0	3224	5931	2371	4015	1639	3826	4380	8543	2595	6463	3490	5539	3712	6247	5659	7896	1902	4344	0	7515	7703	3947	12339	15405	7080	3221	4042	2668	5478	5784	0	3506	9697	Lipid	0.36842105	1.5263158	0.05263158
22	C19 H29 O7 N1	384.2017	384.20206	-0.18481827	384.2016	171177	161688	158901	155992	142264	123682	84056	173237	161613	214714	114569	117131	230173	135917	131709	172857	125749	239481	196690	247613	253720	145859	148074	194310	105956	240014	67905	97230	178282	146091	130812	150790	171315	154058	195943	162027	197225	109988	109335	184511	166998	116532	7824	0	1363	157248	157269	0	151670	151373	162770	158933	148607	1856	228568	185422	94119	164554	114494	88296	189498	127671	184856	173971	72978	183180	122590	114881	230862	345536	312150	157990	137252	156189	108674	137962	789	114219	162449	82377	137360	95505	100636	100183	173711	103008	146692	102676	110800	122792	165221	169640	195845	97913	148975	0	149238	170869	113524	160453	178316	198816	102894	177546	102446	136773	123034	0	99398	217264	Lipid	0.36842105	1.5263158	0.05263158
26	C19 H29 O7 N1	384.2017	384.2021	-0.17499122	384.2016	16595	15503	16468	13564	16370	9961	3956	14117	15692	13232	5961	7420	38048	6928	11650	14764	8371	22440	20984	17383	20197	10509	12635	19673	9174	18862	4502	5605	14674	12253	10008	10488	13738	12007	16966	15061	11777	7389	11782	16444	17935	11944	0	0	0	11317	14765	0	14500	11040	14282	12758	10027	0	19682	19183	9600	13510	5993	7219	13464	10509	23067	16540	4111	20738	13224	8869	18609	38746	40677	12531	13442	11386	15528	10557	0	7586	19010	6099	15151	5626	8404	6563	23110	0	14225	10232	9881	9716	10361	10971	17585	7441	13424	0	17786	15485	10444	20415	20787	11276	10107	7204	7979	10554	8910	0	9120	27736	Lipid	0.36842105	1.5263158	0.05263158
6	C18 H29 O6 N3	384.21292	384.21344	-0.21063751	384.21283	14367	16258	16184	15929	3536	4868	11247	24840	4014	18670	8353	10384	5630	2866	13385	25421	17102	8240	13064	17834	16765	13836	11326	27022	16099	7879	12586	15415	20816	21797	17537	22653	27861	20405	15693	19875	25006	11453	21676	11444	4972	6396	0	0	0	7755	12632	0	31325	22585	15712	14751	4964	0	9653	2355	4477	24707	2554	928	19641	6533	5803	5156	3146	5636	9560	23692	0	11139	6996	18157	17680	23607	16794	15402	0	14501	8831	4537	7928	2279	5615	7885	2478	4843	12678	6326	8387	27936	56182	39767	39869	10854	18352	0	15157	14939	3444	1347	2209	26549	12613	17880	0	25234	3934	0	10520	8186	Peptide	0.33333334	1.6111112	0.16666667
10	C18 H29 O6 N3	384.21292	384.21335	-0.2459133	384.21283	11045	11892	9446	9764	2090	2047	5479	6490	1511	4262	1462	2601	3403	8000	4408	7607	4646	3591	4727	7662	5327	10566	3392	8779	9376	0	4503	6463	8319	6233	6999	7375	12894	8405	6420	6859	11126	2659	7008	6635	2565	3636	0	0	0	4083	1747	0	10417	4839	10614	12418	3222	0	3043	0	1932	9283	0	0	8905	1483	2957	0	0	6428	4467	6493	0	2435	0	5446	5364	4652	5024	7906	0	4487	4435	9821	3020	1296	1529	983	1107	1379	4807	3720	3601	11943	381879	178680	22523	3986	5755	0	12620	10923	1267	1145	919	12609	2545	6900	0	7842	1353	0	6219	4270	Peptide	0.33333334	1.6111112	0.16666667
8	C18 H29 O6 N3	384.21292	384.21338	-0.30998328	384.2128	12357	15300	10460	12093	3544	4945	4865	8987	3590	4920	3622	4751	4439	2285	7384	11167	6851	4621	8850	7467	3997	12004	6607	12675	10208	618	5346	14423	10593	8985	9248	11754	12224	8474	7096	11605	11129	6999	6386	6345	2768	4243	0	0	0	7767	3332	0	15053	7029	12148	11745	4218	0	5624	1423	3712	13814	1488	0	10053	2890	3449	4538	3083	3991	4930	10626	0	4034	0	9951	7825	6212	5557	7949	0	6639	6794	24907	2944	1649	3200	2001	1247	0	8348	4352	5375	18915	303723	197372	25360	5717	5605	0	13781	13233	1170	1866	0	12099	6584	5571	0	11053	1798	0	6297	5726	Peptide	0.33333334	1.6111112	0.16666667
14	C18 H29 O6 N3	384.21292	384.2133	-0.3951539	384.21277	4196	3014	0	1963	2934	2197	0	2367	0	0	0	2017	1663	0	0	2750	3944	2728	2363	1834	0	0	2450	4853	2018	0	0	0	4332	1857	1903	0	4674	2340	0	2215	4029	1930	3405	0	0	0	0	0	0	0	0	0	4472	1257	1695	0	0	0	0	0	668	6999	0	0	0	0	0	0	0	1739	1946	3691	0	0	0	1744	3714	2939	1287	2510	0	3576	0	0	0	0	1341	0	1074	0	2862	0	0	5447	22782	8531	5560	0	2044	0	4967	3498	0	0	0	0	1820	2552	0	3876	0	0	2459	2190	Peptide	0.33333334	1.6111112	0.16666667
12	C18 H29 O6 N3	384.21292	384.21326	-0.31879845	384.2128	3541	3592	3438	5766	1368	1199	4400	5813	0	4436	0	1422	3881	1096	4282	5104	4733	2357	3317	1287	1277	4968	4366	8531	6057	0	2846	0	8618	4283	4228	3892	7405	4718	1881	4368	6641	3113	3758	2954	0	2141	0	0	0	3902	0	0	5003	2603	5297	3592	3283	0	3166	1043	1189	6865	0	0	0	0	1861	1371	1046	2439	1127	0	0	0	0	3528	5139	3980	2955	2047	0	4800	4968	0	1714	1632	1377	0	1663	0	5734	1953	1831	9154	32871	26633	15330	0	1299	0	5401	3633	0	0	0	5958	2185	0	0	6600	0	0	4857	5853	Peptide	0.33333334	1.6111112	0.16666667
4	C18 H29 O6 N3	384.21292	384.21353	-0.18626638	384.21283	19348	20275	16211	18564	4302	7759	24310	23449	5013	30732	147331	16780	6864	1770	16276	31149	57713	11576	9656	7861	6612	10538	15511	25068	15676	1531	27722	76144	17414	19429	13771	14911	24536	20095	6970	19199	23495	21571	66862	4698	2657	10559	0	0	0	6513	3090	0	30292	19201	16724	15433	6983	0	8171	2654	7324	31110	3341	1681	24587	2737	5709	6211	8363	7804	10212	50708	2570	3433	3219	15908	13385	12440	30987	15919	0	14240	26427	7533	22342	1810	3074	2580	3891	11598	29624	13042	9849	22767	27664	14146	26367	4002	3648	0	14703	24714	3786	3250	3613	27991	11489	6130	3382	20260	4823	0	28216	10537	Peptide	0.33333334	1.6111112	0.16666667
16	C18 H29 O6 N3	384.21292	384.2131	-0.29627016	384.2128	0	0	2352	1916	0	0	1528	4297	0	0	0	1372	0	0	1847	2186	1569	0	0	0	0	0	1183	4336	1740	0	0	0	1784	1670	2429	0	2315	3492	1630	0	0	1161	3764	0	0	0	0	0	0	0	0	0	3113	1265	0	2131	0	0	0	0	0	4497	0	0	0	0	1806	0	0	0	0	0	0	0	0	2978	0	0	0	1610	0	1266	1478	6639	1274	0	2111	0	0	0	3787	1700	0	0	24937	7384	0	1670	0	0	3356	0	0	0	0	2278	0	2034	0	0	0	0	3135	0	Peptide	0.33333334	1.6111112	0.16666667
20	C23 H29 O4 N1	384.21695	384.2173	-0.23722851	384.21686	14437	13242	12387	11782	4452	3724	5983	12675	2955	10575	16754	5806	0	4707	6010	16370	22301	4234	4352	14352	19073	11963	5892	15582	5939	41954	7812	19280	8157	6585	7503	12072	14491	11723	6603	11438	14591	3917	22717	15370	31675	6129	0	0	0	5884	13120	0	8133	6906	12964	9702	4918	0	0	3012	2789	12355	4046	14464	13492	8807	1491	2422	5403	4165	5363	16944	31970	33682	52621	7563	7009	5817	9129	7850	0	5721	9040	13811	6926	4462	5954	12621	3053	3552	14629	7752	7556	35785	17276	9257	25702	8147	12913	0	7453	10177	2404	1997	2196	18888	5887	7868	3515	17990	1603	0	10700	2493	Phytochemical	0.17391305	1.2608696	0.04347826
18	C23 H29 O4 N1	384.21695	384.21732	-0.21144958	384.21686	6317	5277	2253	5725	0	3204	5809	5483	1690	9002	12668	4765	0	2620	2230	5504	8729	2745	2495	10466	11171	3272	3991	7513	3565	32847	5881	16234	5971	4058	2923	5519	4835	0	10131	7133	8985	2470	10133	7513	12300	2995	0	0	0	3818	4073	0	8926	4465	6880	7308	0	0	0	0	3010	7331	2420	5282	5874	3276	0	0	1390	0	2963	14605	22092	17613	33552	3236	3441	4183	8709	4620	0	2871	1765	5959	4070	1703	1156	7896	1234	0	8166	2601	3546	27387	8483	3428	12871	5873	6241	0	6451	5996	2512	1577	1496	11125	3566	4926	3500	10485	0	0	6666	0	Phytochemical	0.17391305	1.2608696	0.04347826
24	C23 H29 O4 N1	384.21695	384.2173	-0.21688797	384.21686	21687	19782	20030	16358	11632	10693	9134	16960	4876	16349	35800	12679	4750	8765	8903	29662	23534	6189	12409	26891	24810	25184	10970	29325	18805	68345	7090	31951	14671	23103	18189	21150	25410	24948	13883	22622	29851	9241	26938	32950	41529	13297	0	0	0	14021	20951	0	22994	15464	18628	23426	12923	0	7539	3567	5896	30319	12994	16609	31113	15729	3933	4661	4141	13794	17499	23222	47343	32945	49883	18951	20120	14361	14694	14296	0	13088	22746	23464	13255	18210	12103	24967	10008	5677	22814	12537	11887	63949	30732	28908	51931	20246	23021	0	24830	19302	7977	7492	6657	26387	11436	19356	11222	32142	6510	0	20251	6011	Phytochemical	0.17391305	1.2608696	0.04347826
14	C23 H29 O4 N1	384.21695	384.21735	-0.22609363	384.21686	6480	5654	4149	7318	0	2633	2278	4099	0	9674	15397	1632	0	1474	0	11101	4117	0	1573	18824	18852	0	3443	4007	1805	31284	2681	11824	3735	4980	4679	0	5421	4916	12378	4635	5444	2094	4161	7109	4890	1507	0	0	0	3138	4505	0	4497	6733	2360	5638	1106	0	0	0	790	6812	0	0	0	0	0	0	0	0	2217	10379	20287	34950	33167	4060	3813	4754	4204	4242	0	2993	1382	0	1643	0	1200	5427	0	0	3848	2285	3345	10414	7353	0	7106	4540	9428	0	4076	3562	0	0	0	6858	4542	0	0	7823	0	0	3757	0	Phytochemical	0.17391305	1.2608696	0.04347826
8	C23 H29 O4 N1	384.21695	384.21744	-0.26917368	384.21683	7395	5369	6739	6448	0	900	5299	14534	0	10409	8081	9257	0	0	6548	16568	11679	0	981	16700	15081	3236	4485	12999	6273	11128	7388	7502	15732	14780	12654	15029	12444	11983	10747	15100	15622	7557	9972	8751	1183	2147	0	0	0	6594	5631	0	13937	15248	6395	9187	1236	0	0	0	1504	9432	0	0	10311	2769	0	1023	0	0	3253	18784	4055	10600	8972	11619	11839	14860	20791	12085	0	7672	2654	0	4682	0	0	7811	0	0	1897	3546	3078	12686	0	0	12049	6597	10559	0	8260	6288	0	0	0	15853	7063	7815	0	12694	0	0	4814	0	Phytochemical	0.17391305	1.2608696	0.04347826
12	C23 H29 O4 N1	384.21695	384.21738	-0.27683777	384.21683	6964	8255	5966	9409	1123	4918	8835	10506	0	16697	16992	9283	0	801	7441	13893	22887	1273	3330	25088	23165	0	3475	6972	8850	34126	13382	15026	9600	12688	9628	11956	12034	10070	15926	14280	14311	10039	19771	10222	0	5152	0	0	0	3442	6319	0	9778	13296	8544	7591	1516	0	0	0	1573	9089	0	0	0	1945	0	0	1640	1427	3336	34230	0	31590	38254	10798	10405	12520	43642	11222	0	9865	3331	0	3856	0	0	7463	0	0	3219	4866	3766	26363	8306	0	12867	3071	13048	0	8715	5993	0	0	0	16573	10366	2412	0	12201	0	0	8896	0	Phytochemical	0.17391305	1.2608696	0.04347826
10	C23 H29 O4 N1	384.21695	384.21738	-0.30689275	384.21683	11299	9744	9414	11628	0	3049	7644	18893	0	16680	12842	10098	0	1237	7836	19733	11943	0	2168	28120	25273	2543	6859	19616	7617	29613	10277	13196	18162	15374	15547	22122	19568	19137	17603	22201	20173	9016	14629	9873	3182	5034	0	0	0	6484	9113	0	18541	20611	8868	9462	1953	0	0	0	2156	15805	0	0	13747	4538	0	859	1848	1767	3953	23819	14152	26268	22089	20422	18848	18350	20210	17501	0	12856	6229	6403	8129	0	0	10585	0	642	7211	4659	3932	18074	16227	0	23744	7244	21366	0	11742	9867	0	0	0	19078	8448	9448	0	14854	0	0	7380	0	Phytochemical	0.17391305	1.2608696	0.04347826
26	C23 H29 O4 N1	384.21695	384.2173	-0.1598813	384.2169	9328	9108	9013	11484	4690	4645	5235	21975	3065	5733	13729	6020	0	2381	0	18463	10339	0	5307	7870	6151	12798	7035	25457	9244	27032	3360	13054	18335	22369	12202	17736	18868	15597	4031	17787	17596	4944	12975	12461	13068	0	0	0	0	6612	0	0	19557	10998	8065	8812	6133	0	4950	0	3240	20023	5051	5290	23841	5804	0	0	2269	6354	7573	13239	21512	10496	17153	17924	18738	15338	7413	14038	0	7619	9534	11376	2708	5217	6887	8565	0	0	15301	11936	8356	26542	9977	14859	23461	10467	5729	0	8729	11173	3032	4308	5119	18431	6908	16778	0	27403	5559	0	9297	0	Phytochemical	0.17391305	1.2608696	0.04347826
16	C23 H29 O4 N1	384.21695	384.2173	-0.2774224	384.21683	7988	6581	4551	3387	0	1732	2485	2533	0	40716	14156	1172	0	0	1412	5209	7707	0	0	14276	16114	1678	2790	4998	2251	31723	4805	16547	3220	3792	3574	4286	1696	6868	16473	3955	6705	1601	6140	12145	8101	3167	457	0	0	2862	3857	0	5519	4966	6719	6346	0	0	0	0	1950	5682	59705	13974	7288	6568	0	0	1248	0	5206	13346	18582	25716	31992	2910	2996	2874	2946	4973	0	1484	2693	4465	2521	2398	1258	5813	0	1193	2628	1901	1594	25235	6565	2585	0	6282	7010	0	6005	6094	0	0	0	6429	2277	21863	83648	0	1043	0	4553	0	Phytochemical	0.17391305	1.2608696	0.04347826
22	C23 H29 O4 N1	384.21695	384.21732	-0.1583262	384.2169	15643	14826	14781	9760	10051	5976	7372	12469	4853	21284	27847	9497	2909	7293	7336	24944	21345	3811	7994	24601	28990	16786	8640	21319	13315	66931	7394	27117	11591	12139	12690	16532	16004	18733	17969	15998	16139	7886	23575	24089	37049	9663	0	0	0	13593	15534	0	14809	12066	16158	19547	9292	0	5693	4045	7200	20261	10763	19791	21731	16518	3100	2889	3385	6847	13910	22173	54319	45445	66663	13358	11097	10777	15622	15339	0	7424	14364	21537	8897	13673	11167	20359	5262	4003	24854	10786	8405	45619	24931	18871	28647	22741	20966	0	12137	15784	5834	4383	3080	22795	6539	15903	8698	22705	4838	0	14709	4528	Phytochemical	0.17391305	1.2608696	0.04347826
14	C16 H33 O9 N1	384.2228	384.22324	-0.26645666	384.22272	5323	4114	5278	3398	4462	2807	2369	2664	3816	0	7267	7000	2557	5520	5561	0	2370	2121	3825	3025	2454	0	2996	0	3609	5464	8889	0	3095	4230	3789	0	4067	3029	2803	2762	2601	3908	5088	3109	7870	4478	15229	10881	9270	5479	6766	11669	0	1452	4524	4704	4985	11918	2876	3435	6944	0	0	7082	0	9161	8305	2862	10082	5209	4736	4710	0	4415	7673	3862	3553	6509	2463	1387	9870	6053	3736	0	5460	5571	5140	2160	7731	7301	2778	4931	4364	5599	3593	6799	2755	5305	4196	10355	4700	4358	5898	4167	4057	2273	3963	4152	91422	3629	3998	11749	5034	3290	Lipid	0.5625	2.0625	0.0625
10	C16 H33 O9 N1	384.2228	384.22336	-0.14534536	384.22275	2094	983	1712	1388	0	0	4217	0	0	5011	5983	0	0	0	0	0	0	0	0	0	0	2521	0	0	0	0	7282	26319	0	0	0	0	0	0	0	0	0	0	0	0	7863	0	791	0	0	1950	3089	0	0	0	0	2074	0	330	0	0	0	1294	2601	3961	35293	3691	7719	0	0	0	0	1808	11705	6349	3553	0	0	0	0	0	0	0	0	30137	0	1275	0	0	0	0	0	0	0	1850	15996	4244	0	4063	2257	0	1992	1914	0	0	0	1147	0	6242	0	0	0	0	0	2532	Lipid	0.5625	2.0625	0.0625
12	C16 H33 O9 N1	384.2228	384.22327	-0.2702974	384.22272	5970	7295	6278	4131	3241	1943	2343	1677	1011	0	6276	0	1797	1995	1337	0	3067	0	1424	6261	0	0	0	0	0	1796	7825	0	1495	2633	1079	0	0	0	1820	0	0	0	1780	8392	9353	4038	5891	3071	3340	6209	36058	3001	0	0	6440	4626	1459	4115	0	1564	2549	0	28926	0	0	11585	2870	1577	16225	1824	3827	0	0	2904	14044	0	0	1655	2067	988	3546	0	0	0	1918	2726	1332	1838	2658	5201	0	1949	1264	0	2549	4577	1961	0	8175	3516	6472	7449	2084	1304	1993	2428	1712	3862	962218	1666	1166	3740	1304	1215	Lipid	0.5625	2.0625	0.0625
4	C16 H33 O9 N1	384.2228	384.2235	-0.10155596	384.22278	2383	2374	1576	1876	8828	13290	0	0	3309	0	0	0	2546	11999	0	0	2625	2555	2619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2465	0	0	49085	0	0	0	0	0	0	0	0	2044	1939	15802	0	5827	351	12775	0	0	0	0	0	2246	11682	11193	25865	90393	7128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7957	3297	0	2385	3057	0	10785	10432	0	0	0	0	2072	2942	0	555	960	0	0	0	4749	0	4739	0	0	1159	Lipid	0.5625	2.0625	0.0625
2	C16 H33 O9 N1	384.2228	384.22342	-0.07816628	384.22278	1797	0	1667	1913	0	0	0	0	0	8570	12334	0	0	0	0	0	0	0	0	525	0	0	0	0	0	0	0	42748	0	0	0	0	0	0	5012	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2016	1784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	230393	0	0	0	0	0	0	0	0	0	0	45067	14256	0	21288	17796	0	0	0	0	0	0	0	0	298	0	0	0	0	0	0	Lipid	0.5625	2.0625	0.0625
6	C17 H29 O5 N5	384.22415	384.2246	-0.27971026	384.22403	904	0	0	782	0	0	517	786	0	0	0	0	0	0	0	0	0	43277	0	0	0	0	0	0	524	0	0	0	0	0	0	0	0	0	0	0	0	480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	602	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2740	6551	0	0	0	0	0	0	0	0	0	604	0	0	0	0	0	0	0	0	0	Peptide	0.29411766	1.7058823	0.29411766
26	C20 H33 O6 N1	384.23807	384.23846	-0.21469525	384.23798	18557	16581	20945	15744	28542	14963	7938	16060	24599	15348	8726	5704	54122	41920	7593	17277	11499	27642	41785	15658	17570	16948	9003	13712	11257	10539	8207	12187	15044	15040	13354	12227	23433	13284	20757	16142	24052	8984	10542	14333	11646	12353	0	0	0	9441	9732	0	15110	8962	16580	17419	22980	0	30799	41371	27173	17189	13524	8202	19173	9771	34116	21995	43654	41534	38824	12430	13383	23805	19314	11668	11177	16846	6921	14522	0	10197	11827	11928	9112	11135	10014	11371	21801	9816	18400	11039	16565	12963	25760	25248	14785	12560	17509	0	18678	21980	29858	41633	53862	19719	4695	18465	8212	10340	19990	0	10219	28430	Lipid	0.3	1.65	0.05
12	C20 H33 O6 N1	384.23807	384.2385	-0.25249168	384.23798	9829	11319	10201	8945	6715	3924	11691	25536	4545	6835	0	7881	2407	3797	10952	15638	16905	4889	9747	13342	9878	9658	11504	8851	15102	7219	5879	0	20960	12750	15832	15175	21124	14312	11566	17344	15074	12561	18830	10675	4744	6259	0	0	0	5894	6994	0	15653	11086	10192	12564	3926	0	6402	2522	4014	16906	0	0	0	4010	3992	3149	3324	5658	6701	20833	0	8810	7051	12691	13266	18127	10706	13935	0	12829	12494	0	7901	2448	2122	5592	3744	3971	16348	3278	6655	27665	39291	18627	25947	6665	5651	0	7776	11709	3832	3574	4960	10961	10676	6816	0	15985	4230	0	13496	5045	Lipid	0.3	1.65	0.05
10	C20 H33 O6 N1	384.23807	384.23853	-0.26455194	384.23798	17677	17680	18673	17209	5708	8262	9882	61627	2319	12347	4399	12920	4687	4199	13756	25466	11475	5677	7366	18384	14472	15432	9977	18090	17244	4633	10375	5385	30773	36095	34411	29351	27905	19976	18999	34014	29086	9265	15610	7152	3039	5407	0	0	0	11214	6451	0	47848	64444	18343	20436	5700	0	3746	3450	2565	40557	0	0	26997	2283	4597	2347	3822	4655	8347	13981	0	17262	6769	30004	22358	36937	16328	25631	0	15831	9267	6218	4428	2152	1878	6182	3741	4683	17375	4786	10902	25158	44802	20992	32776	7217	14313	0	18991	13523	3200	2071	4818	26892	13342	16149	0	18718	3669	0	11947	3964	Lipid	0.3	1.65	0.05
8	C20 H33 O6 N1	384.23807	384.23856	-0.23257415	384.23798	23920	20937	14110	20263	4757	7543	11933	59510	4418	16326	2177	13084	4814	2518	13094	29249	19912	4425	9625	20047	17110	22905	9986	16592	19760	5369	13417	6231	27957	34043	37657	33321	36154	18861	23192	27371	36661	12747	20351	14468	4816	6320	0	0	0	11164	6170	0	44513	62728	19706	19253	6136	0	4732	2307	4708	33536	0	1057	26169	4432	4524	5210	4008	5478	8151	23693	3784	10898	7615	51854	24064	22254	20804	26090	0	13063	11363	5066	6856	2568	3207	3877	2192	4933	36434	5511	9233	39470	53683	35126	27923	10157	16601	0	20003	19181	2324	1999	2595	35535	12982	21663	0	17047	2016	0	17148	4913	Lipid	0.3	1.65	0.05
6	C20 H33 O6 N1	384.23807	384.23862	-0.2586409	384.23798	16689	17826	17077	15516	2693	4223	10951	22196	3138	12302	4522	8926	2614	1827	12204	20633	18239	4512	7240	13420	16004	44669	10326	16531	20708	5299	8575	4530	18702	18454	18443	20886	20042	14459	14818	18598	19881	9707	20409	11540	5808	4228	0	0	0	11438	7073	0	25643	17921	15612	19272	4268	0	4234	1983	2552	27176	1212	586	22566	5817	4106	2294	2195	3453	8377	21517	5020	10316	6112	17936	13817	14983	13048	15535	0	10383	11845	19164	5271	3905	3576	5873	1981	4063	25351	3856	6564	33177	125268	123155	29393	52542	59198	0	16551	15899	1716	2320	1785	18464	8754	19673	0	18381	1914	0	12068	3687	Lipid	0.3	1.65	0.05
14	C20 H33 O6 N1	384.23807	384.2385	-0.24510805	384.23798	19646	10452	12267	14603	5147	7409	12642	52320	4229	4478	4317	9722	6762	6232	12502	28142	25300	7946	11236	14573	13482	10632	13054	24952	18176	11630	12700	0	20724	29803	26345	20447	27526	12705	12240	19633	13691	8259	22285	5942	8215	8057	0	0	0	11097	13446	0	25409	44578	9157	13616	8479	0	10201	9675	6338	27738	0	7213	0	5552	6960	5060	5242	8943	10544	19171	0	14411	9853	15373	12078	28949	22072	21138	0	11727	12066	0	11044	4408	5015	5210	14489	8901	21057	5455	5921	43293	25629	14320	26647	6962	11889	0	13562	16733	3064	10658	16818	19724	11122	19571	0	12875	8099	0	12284	4748	Lipid	0.3	1.65	0.05
4	C20 H33 O6 N1	384.23807	384.23868	-0.2095423	384.23798	8441	9296	9150	9341	1576	3156	7086	14549	978	8132	2580	6069	1054	931	10300	12772	6983	2167	2616	6762	7193	13805	7408	11640	13740	3281	6783	3261	10135	8821	10347	9685	9169	8868	9853	9986	10056	6612	8408	6170	3473	3535	0	0	0	6769	4393	0	13164	12913	8913	6705	1875	0	1846	461	1958	17396	2869	1006	15364	3675	812	2190	1052	1779	2507	8186	2480	4560	3014	11255	8260	12950	7733	7931	0	7640	6284	6739	4828	2741	3793	3518	2163	1992	13449	2914	3922	17531	27800	21105	21320	5984	10756	0	7678	10309	1071	1020	1031	8818	6487	15890	3606	10311	1501	0	10319	883	Lipid	0.3	1.65	0.05
10	C19 H33 O5 N3	384.2493	384.24933	-0.34097153	384.24918	0	0	961	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22738	0	0	0	0	0	0	988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13891	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1231	2683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2631579	1.7368422	0.15789473
24	C24 H33 O3 N1	384.25333	384.25354	-0.22408187	384.25323	1276	0	2233	1434	0	1081	0	2600	0	0	1371	1924	0	830	0	2803	2941	0	1526	0	0	1647	1540	1043	1634	8120	0	3743	1477	2282	1419	1826	0	936	0	0	2220	1494	3799	1378	2452	0	0	0	0	0	0	0	1999	2375	0	1461	0	0	0	0	0	2505	1035	1887	1417	0	0	0	0	0	1206	6253	5319	3370	3178	1002	0	0	2329	2227	0	2547	0	2781	792	988	1055	1680	0	0	5023	0	1020	21419	2381	2736	5745	0	0	0	0	1829	0	1263	0	3381	1486	2415	0	3918	0	0	2694	0	Lipid	0.125	1.375	0.041666668
18	C17 H37 O8 N1	384.2592	384.2593	-0.20987394	384.25912	0	0	0	0	0	0	0	0	0	0	0	0	0	1026	0	0	0	0	0	0	0	0	0	0	0	0	0	3846	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2466	1276	641	0	0	979	0	0	0	0	2252	2313	0	0	2202	0	0	0	0	0	0	0	16786	9864	25537	0	0	0	0	0	0	0	0	0	757	0	0	2077	0	0	1257	0	0	10397	0	0	0	0	3070	3055	0	0	0	1161	0	0	2002	0	0	0	0	0	23309	0	0	1100	0	0	Lipid	0.47058824	2.1764705	0.05882353
14	C17 H37 O8 N1	384.2592	384.25967	-0.1179243	384.25916	125279	98904	100121	101658	13497	4122	0	123875	0	111130	16369	1683	19784	13879	0	198585	9843	9871	0	157468	15530	14763	18966	43558	0	2689	1323	8260	45243	24446	196938	708202	43986	66645	18988	44736	72829	0	10040	190318	12838	14519	43795	0	0	157226	322054	0	331958	95884	109802	105356	6029	23795	2551	8659	11071	109703	62681	16697	79738	27835	24492	464726	995	6171	1987	25699	0	421256	38892	90172	173967	41298	64651	192729	0	3788	0	0	0	0	0	2658	0	0	0	11086	8862	27605	295113	18187	10285	0	65736	1547	120699	116467	12259	0	0	10841	45162	5624793	419711	20596	0	0	1580	5923	Lipid	0.47058824	2.1764705	0.05882353
22	C21 H37 O5 N1	384.27444	384.27478	-0.20963943	384.27438	5479	4482	6304	6744	3252	5420	56770	4663	2644	0	2088	1623	2035	7309	2801	4185	9025	3987	4830	0	1918	2221	0	4576	5290	6546	51512	8350	5942	5488	4925	7553	7396	5849	1630	7885	4591	3210	7839	0	0	5663	0	0	0	1559	3057	0	7146	6761	6115	4679	4693	0	3097	1902	1544	8387	1466	5202	6685	0	4336	1396	2844	11352	6274	9047	0	0	1756	3031	3556	5295	7213	4645	0	2127	2255	9119	1669	2003	27133	24837	1793	3910	4272	3053	3006	10293	18679	15668	7227	1851	0	0	5796	8535	2125	3268	3716	7730	3305	4092	1453	4583	4346	0	3994	3418	Lipid	0.23809524	1.7619047	0.04761905
10	C21 H37 O5 N1	384.27444	384.2749	-0.12946013	384.2744	5091	5831	6101	5284	0	0	3825	11657	1208	0	2795	23162	0	0	0	3712	2630	0	0	1823	1785	0	0	0	2450	0	8120	0	5353	20391	8060	10586	12847	7493	0	4636	13368	1627	8625	0	0	1603	0	0	0	0	0	0	19157	10392	3179	4900	0	0	0	0	8797	4570	0	0	0	0	0	4143	10241	0	1000	5007	0	0	0	11453	11447	6195	17695	17116	0	15306	0	0	0	0	0	0	0	0	2304	0	3377	6718	0	0	3040	0	0	0	4963	5516	0	0	0	12110	59003	3301	0	2230	0	0	795	0	Lipid	0.23809524	1.7619047	0.04761905
16	C21 H37 O5 N1	384.27444	384.27475	-0.21755725	384.27435	2009	0	1590	1496	0	0	1258	2970	0	0	0	12959	0	0	0	7021	0	0	0	0	0	0	0	2530	0	0	1536	1793	3834	4416	11465	0	3323	1219	0	0	0	1766	0	0	0	0	0	0	0	0	0	0	3895	2241	0	0	0	0	0	0	0	4364	0	0	6641	0	0	0	0	0	0	1446	0	0	0	0	1390	2651	0	2654	0	15469	0	0	0	0	0	0	0	0	0	0	0	46918	10935	2640	0	0	0	0	1823	2153	0	0	0	1576	9535	0	0	0	0	0	0	2110	Lipid	0.23809524	1.7619047	0.04761905
24	C21 H37 O5 N1	384.27444	384.27478	-0.22300994	384.27435	19537	18592	19165	23744	17336	17882	75705	30183	9591	8253	10539	8682	18380	26842	130402	26716	17943	18769	27977	13095	9024	9261	6171	10959	34044	7518	60537	19955	24805	25132	23241	26452	26731	18558	9141	31406	20078	101522	19381	8750	9112	189549	5956	0	0	7631	6403	0	28947	26455	21433	20758	12882	0	23480	15767	32572	26452	8447	8055	20816	5320	21884	10936	14918	27282	32643	22357	3642	7110	7385	17135	20853	22493	15632	23110	0	11520	9265	24709	6067	8998	23510	15838	9999	16872	17195	12968	21222	17485	58723	44209	22784	5305	10474	0	19928	27562	18337	9742	12017	31339	9506	17554	17712	20829	11731	0	17481	14821	Lipid	0.23809524	1.7619047	0.04761905
8	C21 H37 O5 N1	384.27444	384.27487	-0.2176953	384.27435	0	0	880	1086	0	0	2713	4235	0	0	0	43798	0	0	2983	2602	3252	0	0	2304	1703	0	1304	1221	2352	0	1295	0	18367	3621	6578	2504	3846	9165	0	10300	3676	1767	1298	0	0	0	0	0	0	0	0	0	5137	5716	1205	1473	0	0	0	0	854	2599	0	0	0	0	0	0	11939	0	1270	1888	0	0	0	2658	2961	2081	1321	2844	0	25935	1055	0	0	0	0	0	0	0	5452	0	619	6015	0	0	1773	0	0	0	0	901	0	0	0	1229	10074	3174	0	1072	0	0	1632	0	Lipid	0.23809524	1.7619047	0.04761905
26	C21 H37 O5 N1	384.27444	384.2748	-0.16963166	384.27438	11585	8298	9346	10245	11914	9544	20618	6967	6994	4813	8804	2982	13498	11327	0	7817	9741	13314	22369	6656	7401	6905	0	4938	15578	0	17740	20977	11734	12455	7380	6855	16485	10950	9630	18225	14940	7772	6502	9259	5260	8653	0	0	0	5988	0	0	12163	0	11283	7973	13036	0	14295	7855	6695	17975	10615	5013	13175	6001	11457	9242	11568	22009	32532	7250	0	4502	2215	6565	7451	8360	0	8506	0	3839	4441	13921	0	8197	11948	3234	6782	11586	9175	7131	11107	4887	34161	29042	8501	7523	5959	0	10347	9615	6630	6189	8219	15510	3183	12380	18201	9026	5821	0	8690	9734	Lipid	0.23809524	1.7619047	0.04761905
10	C25 H37 O2 N1	384.2897	384.29007	-0.16074735	384.28964	0	1769	1614	1245	0	0	11932	1242	0	0	0	6350	0	0	1467	0	12836	0	0	0	0	0	986	0	0	0	31002	0	3895	4032	2781	3354	31445	0	0	4386	32168	2219	5782	0	0	5784	0	0	0	0	0	0	2970	1879	1417	1327	0	0	0	0	2178	0	0	0	0	0	0	0	2093	0	3973	31439	0	0	0	0	0	2809	6944	2167	0	6580	2364	0	3427	0	0	0	0	856	0	0	1571	2954	0	0	0	0	0	0	2042	3065	0	0	0	36655	5659	0	0	0	0	0	0	0	Lipid	0.08	1.48	0.04
14	C25 H37 O2 N1	384.2897	384.28995	-0.29068077	384.28958	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2539	0	0	0	0	0	25426	0	0	0	17636	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	878	0	0	0	0	0	0	0	0	0	0	2469	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16850	0	0	0	0	0	0	0	0	Lipid	0.08	1.48	0.04
22	C9 H5 O10 N4 S1 Na1	384.9697	384.97012	-0.06560657	384.96967	0	2824	1650	0	0	1471	0	0	0	0	0	0	0	0	0	0	0	13175	55262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1468	0	0	0	0	0	0	0	0	0	1470	0	0	0	0	0	0	0	0	0	0	0	0	2431	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	131378	23197	0	12421	9636	0	0	0	0	0	0	0	0	0	2662	0	1786	0	0	0	0	0	1772	0	0	0	Organosulfur	1.1111112	0.5555556	0.44444445
24	C9 H5 O10 N4 S1 Na1	384.9697	384.97018	-0.33742338	384.96954	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4979	12488	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23596	3041	0	1595	1309	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	1.1111112	0.5555556	0.44444445
20	C19 H12 O9	385.05542	385.05582	-0.12690026	385.05536	13660	14092	10075	14863	30025	12916	7739	6118	30883	17074	9227	5603	36549	16334	11039	7404	4969	34196	41725	6752	9398	30514	15107	10741	8659	3822	11581	1524	3644	2520	3061	4946	9310	5951	18775	2289	8675	8285	8472	7248	9131	12064	1330	0	431	7006	11162	1293	6214	3109	13033	16966	24940	0	28414	24287	16947	11968	4296	3113	5876	6459	38504	31358	16325	36443	14360	8114	5607	5550	7499	2625	3344	0	4004	3504	387	4083	23739	20611	20906	11577	3535	7996	40965	19124	22949	15944	14300	17567	6335	4439	14181	29388	29228	641	13592	11915	25240	40088	30062	8825	7838	6487	7206	5806	26060	0	7932	49790	Phytochemical	0.47368422	0.6315789	0.0
14	C19 H12 O9	385.05542	385.0559	-0.0682675	385.0554	7274	7774	8118	9615	15246	6864	2183	0	21766	12852	15580	2431	28196	5959	4538	3094	2310	17360	18141	15464	20875	28909	6688	2704	0	2370	2185	0	0	0	1355	0	2721	0	37830	0	3690	2771	2920	5363	15188	6145	0	0	0	6745	9208	0	1823	0	12167	9253	9946	0	19164	15693	9536	3696	0	0	0	5435	33905	19787	7412	25453	5224	1713	0	4066	6438	0	0	1268	0	0	0	2495	12983	29152	7378	9089	2286	2794	24391	9396	9290	6855	12472	4409	0	2978	5281	37650	36736	0	11736	5070	18548	29374	16483	4001	3083	0	0	2458	11633	0	2697	27398	Phytochemical	0.47368422	0.6315789	0.0
24	C19 H12 O9	385.05542	385.05573	-0.20013909	385.05533	8401	7189	9053	8824	12049	4746	2502	1214	12469	7464	1902	2592	19813	8416	6393	3732	3883	22045	21840	4055	5137	12327	6677	4361	5639	0	5642	0	2200	0	2469	1413	3212	1859	7511	0	2715	6802	3300	2002	6539	4884	0	0	0	4714	4950	0	2894	0	5577	3558	10013	0	18795	11651	9677	3779	3005	3939	2707	1698	29907	21749	7930	18270	7416	4462	2802	3489	4695	1564	920	0	1536	1212	0	3724	14917	6564	14474	3257	2205	1435	21376	13035	12878	7212	8306	4276	2307	1703	5816	17555	18814	0	7951	6376	7521	16143	19332	3817	3025	2084	2812	3423	11960	0	4096	26912	Phytochemical	0.47368422	0.6315789	0.0
26	C19 H12 O9	385.05542	385.0557	-0.18775983	385.05533	8397	4845	6512	6207	11525	6971	0	0	15062	5320	0	4470	21617	8713	0	0	0	22798	20788	0	0	14382	5918	0	0	0	3152	0	0	0	0	0	1695	0	7851	0	3145	4598	2230	2494	3673	0	0	0	0	0	0	0	0	0	7104	7065	10147	0	15004	10465	4766	2452	3226	4518	0	2456	27286	16172	4092	17109	4709	0	0	2054	1694	0	0	0	0	0	0	0	15229	7068	13390	0	4227	0	16702	12982	9650	8418	6425	4194	1781	1565	5882	13400	15781	0	7252	0	7060	15661	10575	0	0	0	0	3863	9619	0	3774	22070	Phytochemical	0.47368422	0.6315789	0.0
22	C19 H12 O9	385.05542	385.05582	-0.15138008	385.05536	15039	10826	10298	10703	25769	11389	6594	5530	23206	9584	5358	4591	20563	12799	12778	5844	3428	30811	25424	1951	6412	16744	11649	7746	6524	3255	6805	0	3979	2836	2409	4791	9344	3243	13659	3340	10424	7302	6975	7631	7047	10688	0	0	359	4574	10434	0	7097	2713	8670	11787	22408	234	20637	20969	14104	6878	2860	4359	6991	3572	32202	21312	8281	28469	15597	5460	1748	2885	3452	2587	2192	1279	3823	2645	603	4765	19250	13807	16562	8312	2732	5161	31042	15202	25121	12632	13630	14716	2534	4738	9006	24409	22790	0	11516	10416	17932	27958	24308	7966	4890	4650	3926	6050	17822	0	11651	37879	Phytochemical	0.47368422	0.6315789	0.0
28	C19 H12 O9	385.05542	385.0558	-0.21719372	385.05533	5749	6659	5955	5391	11667	4759	2961	0	8491	6175	1279	1627	19167	7392	2869	2860	0	23657	20300	3090	3197	10740	4388	2883	2799	0	3742	0	0	0	2143	0	2742	0	7595	0	2867	2801	3191	1905	4760	5013	0	0	0	2317	4537	0	1393	0	6041	5704	9146	0	12225	7673	5168	1907	2154	3059	2092	3013	19322	11590	4640	12867	4920	1654	3273	2879	3566	0	970	0	0	0	0	2157	10971	7963	8636	2534	2120	2402	18490	8135	11316	4842	6020	6026	3618	4060	5179	12580	12605	0	5145	5065	5584	12323	12782	2335	0	2737	0	2726	7595	0	4970	18908	Phytochemical	0.47368422	0.6315789	0.0
16	C19 H12 O9	385.05542	385.05582	-0.16734196	385.05536	10020	13911	17232	13557	28333	10624	5092	2210	34567	25396	20573	3288	42682	10310	7565	4554	4191	34159	35441	16386	27247	37052	9215	6048	3539	4875	4901	8181	0	0	2114	0	12432	0	44736	0	6638	8537	3476	9309	20298	9237	781	0	0	17044	20981	0	1650	3691	10420	15917	20253	0	29813	25203	13709	4868	5471	6745	0	8321	51272	31643	11739	40655	13974	5485	6780	5554	9563	2273	0	0	3693	1785	390	3088	18869	30419	14809	14338	1291	8115	34151	15748	16608	14753	13143	0	4461	10119	0	50060	37331	0	20404	15061	29244	33108	34827	5678	3844	4237	6260	0	20205	0	4791	47438	Phytochemical	0.47368422	0.6315789	0.0
18	C19 H12 O9	385.05542	385.05582	-0.09898097	385.05536	21749	21920	14252	17383	32565	15399	7342	5367	33078	26176	18605	7417	46581	18358	11176	7838	8024	45930	47303	11802	19213	41544	13148	8598	5544	4356	6302	2674	0	0	3309	3070	10272	0	30205	0	10626	11793	4515	16065	20703	10024	1028	0	330	10750	13111	684	7068	2845	19907	21943	24127	0	33938	31556	18960	9745	6556	6312	7198	8677	50593	29876	13080	46505	14611	6572	3767	2345	12803	3047	2525	0	3806	0	347	3540	26669	32708	22713	19404	6021	9141	38567	24386	21650	19843	16952	11455	4352	10335	10453	42544	42109	0	14754	18303	31570	42618	35127	8463	5166	7450	10439	8986	22705	340	9196	43551	Phytochemical	0.47368422	0.6315789	0.0
12	C16 H16 O9 S1	385.05878	385.0594	-0.06349392	385.05875	5775	3709	5771	3852	3481	5176	0	0	7860	24335	10757	0	10536	1590	902	1455	0	4830	7121	8533	11053	27879	1556	0	1282	3682	0	0	1457	0	0	0	0	0	31332	1170	0	0	0	10210	20268	1648	0	0	0	3426	3255	0	0	0	4818	4365	3287	0	4355	5094	1484	1426	0	0	0	8864	6150	4841	1237	8472	2155	0	0	4595	11981	0	0	0	0	0	0	0	0	18446	2234	2602	3448	4076	2342	0	0	1090	2504	0	4749	5266	0	32615	31249	0	3021	3191	3506	5082	4292	0	0	0	0	0	5471	0	0	6726	Organosulfur	0.5625	1.0	0.0
16	C16 H16 O9 S1	385.05878	385.0592	-0.13371925	385.05872	0	6489	6681	4305	11601	6143	1186	0	13567	15378	8019	1401	14672	1658	0	0	0	14620	14980	4363	6467	28771	1648	0	1303	0	0	5500	0	0	0	0	1949	1428	23388	0	0	2217	0	10676	6702	2448	0	0	0	2918	2768	0	0	0	4570	4756	8427	0	8588	8384	3902	0	4913	2060	0	9169	8114	6617	1926	9466	1530	0	5188	5966	4790	0	0	0	0	0	0	0	3264	10621	1256	2678	1838	4788	7176	2164	0	3056	6379	0	5284	10504	0	24425	24718	0	9066	6658	6257	4903	5055	0	1343	2339	0	0	8521	0	0	14592	Organosulfur	0.5625	1.0	0.0
6	C16 H16 O11	385.07654	385.07715	-0.09563738	385.0765	6265	8870	5874	7858	17601	5351	899	1456	20813	5615	6512	3509	38803	5343	2256	2439	2941	17249	18771	2566	6364	7260	5483	3688	0	0	0	0	771	1728	1743	1419	4099	1302	6020	1027	1990	1350	2254	1245	4689	6919	0	0	0	1482	3016	0	1662	1325	9251	4677	10304	0	18249	26848	10167	3474	1343	3905	1836	2106	47053	27919	7215	24171	8844	2855	0	0	0	922	719	1100	1727	1019	0	2765	5162	0	3771	0	649	0	26364	7376	5027	8571	8099	2140	0	2693	2516	7314	4484	0	5575	7259	18193	40130	36100	4509	1786	1544	0	3403	20061	0	1054	42161	Phytochemical	0.6875	1.0	0.0
10	C16 H16 O11	385.07654	385.07706	-0.08730813	385.0765	40227	35918	38977	33589	89591	41622	6079	6454	108646	24684	41891	20498	175855	30032	16537	16025	17671	94433	96867	21450	47927	47271	28854	11987	3071	0	7609	5793	8456	8795	8358	10236	17103	6568	38756	7877	21393	18532	15244	11127	28463	37077	1033	0	0	11142	25046	0	9220	8172	36320	32842	49612	0	117090	106490	37490	14655	8147	16527	17189	19515	188313	134634	37594	108044	46782	17932	0	2884	8115	9423	7351	5340	13178	9405	0	12629	31213	23396	25656	12565	4733	2687	107330	30006	26589	37999	37914	23847	3895	13292	21848	70718	32750	0	39129	43930	86769	119530	108212	26219	19734	9903	19343	15140	67718	0	5785	201882	Phytochemical	0.6875	1.0	0.0
20	C16 H16 O11	385.07654	385.07712	0.15811604	385.0766	4842	4358	7667	2278	9070	5226	0	0	11731	14008	10457	1279	13920	3738	2636	0	2471	7407	4129	1961	3060	9609	5786	0	1882	19784	0	7461	0	0	1630	0	2151	1430	10811	1447	1634	1511	1662	7237	19524	2963	579	0	296	6081	10163	0	0	0	3483	3760	4353	0	13043	5697	3887	1936	1130	3726	0	9195	14042	14138	4171	9054	4925	1646	25062	17701	26534	0	0	1495	0	0	0	1791	2903	15374	1167	7042	1085	0	10207	2236	2807	2688	4972	1504	2378	5898	0	19787	13745	0	4600	5463	9631	9110	6588	1576	1701	3104	6754	0	5508	0	0	25817	Phytochemical	0.6875	1.0	0.0
8	C16 H16 O11	385.07654	385.07715	-0.060396962	385.0765	24628	23081	18344	23397	48304	16387	5284	3942	62223	15650	19197	12065	93069	12878	7656	10908	12198	42535	61009	10289	24136	33839	17727	7325	1110	665	3680	2323	3628	3576	5067	3677	9795	3705	21742	2287	10182	9933	8287	7415	13543	22957	0	0	0	4032	11994	0	4226	5109	22682	24925	29702	0	53903	63771	23806	7170	6509	11732	7385	9272	112181	70025	22663	68956	21532	12031	5668	0	5507	4813	3982	2354	6072	5650	0	6863	18001	13510	14474	4725	2596	1779	63044	18318	13495	25210	21916	12734	0	0	10894	41188	19690	0	18307	25352	50341	100957	88669	11733	8952	5772	9436	9392	55351	0	3644	105972	Phytochemical	0.6875	1.0	0.0
12	C16 H16 O11	385.07654	385.07706	-0.11469351	385.0765	40782	42987	46677	47430	99080	47454	8064	13132	148384	25257	44453	24638	182207	32450	23392	14589	14739	109994	114251	24927	40943	63144	40138	15928	3322	0	10366	0	9147	6760	11486	8859	27769	7617	42242	9016	25463	21626	15088	16441	33371	42907	1614	0	0	9800	27154	0	7627	11413	41378	50877	69120	261	149847	113387	43746	11585	13282	17904	0	25008	241624	159998	31544	130821	43509	18978	0	6910	11282	9700	8570	5686	11976	9488	0	19900	29992	25822	30069	14931	3512	2560	100069	33779	23982	49107	42273	20370	4265	19925	27678	62217	26501	0	58212	44521	101430	117789	94704	27010	22868	16042	0	24584	82075	0	6781	251386	Phytochemical	0.6875	1.0	0.0
8	C15 H16 O10 N2	385.08777	385.08835	-0.040861238	385.08777	6007	6452	3152	6861	7724	3587	1631	2524	11208	1803	4757	6104	16049	1521	1883	3082	5066	8415	9997	3201	5756	6668	4128	2487	0	0	1049	0	2360	1979	2531	2674	6405	2317	6099	1569	3233	2598	3911	5063	9061	6593	0	0	0	0	3960	0	1950	4179	3609	6528	6205	0	16394	8885	5359	1749	2462	3729	0	2698	30375	17290	6204	11135	6173	5378	0	0	0	1735	3052	1554	1821	1155	0	2362	3117	0	1981	1224	731	0	11224	0	4862	9901	10088	7066	0	0	6998	4778	2769	0	5657	4005	6051	12021	11133	5788	3625	2404	0	7556	6674	0	2369	24621	Unclassified	0.6666667	1.0666667	0.13333334
14	C15 H16 O10 N2	385.08777	385.08832	0.13980615	385.08783	9513	0	8430	10077	11418	11910	0	0	13767	0	0	8334	15150	6651	5196	0	7503	17580	11508	0	7914	17694	9201	7392	0	2656	0	0	0	0	3936	0	8046	0	7296	0	8898	0	9591	1646	0	13677	0	0	0	0	0	0	0	0	7011	5418	12786	0	18360	7932	8028	9555	0	0	0	0	31308	13647	8922	13551	8109	6435	0	0	0	4875	0	0	7729	4683	0	0	9126	0	3687	3597	0	1188	13536	0	7845	17250	9552	0	0	0	13029	0	0	0	0	7554	8439	11007	8901	10479	7629	8148	0	11721	7359	0	5505	41397	Unclassified	0.6666667	1.0666667	0.13333334
10	C15 H16 O10 N2	385.08777	385.08832	-0.048629563	385.08774	6748	6270	4974	3661	8019	3797	1933	4043	12282	2718	4746	7664	18619	2490	2765	1947	4736	12777	12016	1800	5063	8609	4257	4312	1333	0	2326	0	2588	0	2413	3389	8008	1975	3594	1954	3862	2308	4441	5067	7961	4850	0	0	0	0	4107	0	1951	2841	4731	5329	9662	0	18897	10572	5089	2501	0	3500	0	4970	36097	15278	6274	11867	7825	7667	0	0	0	2928	2730	1952	4628	2020	0	2571	3312	0	3028	1784	0	0	13247	2476	3883	10097	9148	6133	0	3591	10579	6176	2983	0	6631	5979	6389	8188	8422	4894	3449	2227	0	5000	5563	0	1521	27614	Unclassified	0.6666667	1.0666667	0.13333334
6	C15 H16 O10 N2	385.08777	385.08847	0.06240861	385.0878	12250	11274	7413	11290	13971	8352	0	3519	22903	3500	3216	7138	31059	4558	0	5376	8445	16369	21960	6505	12580	14378	7740	6167	2538	1616	3240	0	2664	4027	3281	2274	6834	0	14179	3702	6477	4266	6360	4065	13120	11037	0	0	0	0	5772	0	0	5427	10533	8316	12778	0	26795	18446	11895	1962	0	5640	0	4728	46139	21372	11022	19900	10998	5571	4998	3350	5480	0	1773	0	2774	5004	0	3741	6243	0	4386	0	2509	0	20857	5367	5797	17032	14790	10717	0	3366	7071	6255	4320	0	11074	8182	13557	26760	16349	7527	7744	5367	0	6156	8178	0	3125	58721	Unclassified	0.6666667	1.0666667	0.13333334
12	C20 H16 O8	385.0918	385.0923	-0.12878232	385.09174	25505	33198	20890	25147	24054	11311	13883	10429	27473	74537	54767	10814	27690	11451	12254	18663	10704	26721	38907	48360	52024	53035	13260	14919	9663	50754	13528	28296	9816	7521	11304	11209	16303	9161	94939	5862	11433	13202	17015	31610	42194	11906	1362	0	0	29885	54705	0	9600	12262	24801	28669	18280	0	24785	16779	13252	15027	10409	11887	0	21496	33852	23241	11104	26252	13881	11129	53210	64857	104147	10530	9112	6512	7184	9422	0	7475	23085	26826	21038	31530	11025	20631	30832	13149	22934	12026	14196	24624	15936	20765	18176	38903	44006	0	29932	34347	34300	23079	20974	17720	8620	15696	19708	9575	23651	0	13499	35689	Phytochemical	0.4	0.8	0.0
28	C20 H16 O8	385.0918	385.09216	-0.16421	385.09174	5701	5635	6005	6301	9739	4322	1252	2083	11101	14976	5547	2216	13078	9315	2389	3407	2822	13099	14301	10455	11722	12556	4688	3050	3339	7704	2493	5914	0	0	1352	937	1957	0	16974	0	1944	2621	1883	5320	8560	3150	0	0	0	4664	9510	0	1838	0	6357	7648	5870	0	10406	7240	4257	2358	2412	2718	3083	5703	13903	8686	5961	11391	3561	2469	10358	13641	21370	0	0	0	0	2270	0	1584	6868	12702	7050	5314	3113	5460	13019	7122	6706	2676	3842	2745	2506	5635	2439	19034	18527	0	4670	5641	6982	12557	12026	2013	2037	3315	5174	2241	7281	0	1776	14899	Phytochemical	0.4	0.8	0.0
20	C20 H16 O8	385.0918	385.0922	-0.16415791	385.09174	69100	61902	60504	53647	83942	50615	15570	16696	76174	152199	98892	12638	117113	47134	22845	24092	15122	99168	95657	112906	116175	117670	30462	24173	21709	144586	20720	68540	17690	9915	12882	16465	35972	14118	208221	10099	36196	26189	18756	81987	75385	27632	2895	0	671	68437	97400	1147	20564	14814	59738	67086	53124	672	73873	66569	33980	30608	19457	19516	26280	59034	114889	72350	35058	81173	38091	14287	117971	134801	162591	16757	12149	3761	12571	12904	914	19355	49027	85787	44199	64035	19528	70619	86903	49641	44000	35709	39365	25382	43250	53426	40622	116147	122891	1198	58590	52788	76091	83346	77262	24230	15392	30924	54728	29753	65451	1163	29526	121161	Phytochemical	0.4	0.8	0.0
14	C20 H16 O8	385.0918	385.0923	-0.11143505	385.09174	58434	66726	55691	53029	44665	26056	16217	20673	63249	167897	103704	16298	64842	29514	19198	21271	17494	59838	64282	102800	125686	96175	23207	26687	20460	118573	21963	65380	14216	12139	18455	16345	21787	17815	179825	12454	29227	24476	22209	82171	87676	22463	0	0	301	64593	93495	484	20130	18070	55439	48739	40432	311	48021	40246	29395	35049	25855	26332	19632	54726	84124	53870	26256	57395	32847	19565	119938	144141	169650	20439	11998	10033	12429	16754	233	16723	47252	61000	37509	55373	21374	48196	56266	30822	44951	30252	30440	40429	24432	40396	27803	94457	92366	521	57559	58723	48294	44809	46334	21691	18929	35143	38486	22792	40993	0	22452	61243	Phytochemical	0.4	0.8	0.0
26	C20 H16 O8	385.0918	385.09207	-0.19714944	385.0917	8602	8609	8706	7348	13477	4980	1816	0	16119	19766	7525	0	28192	63390	0	0	0	16820	18312	11383	12657	25479	0	0	0	16107	2792	3403	0	0	0	0	2635	0	27958	0	2632	3561	2283	8553	10221	0	0	0	0	5691	13613	0	2502	0	11138	9689	7754	0	18443	13815	4104	2815	0	3737	0	7190	24066	13762	29209	16958	8122	0	20577	24533	30410	0	0	0	0	0	0	3629	11307	22093	11644	6296	3386	7216	21263	7321	8010	6034	6824	3217	3484	5149	0	25080	36375	0	9227	7556	11805	14493	16962	0	3168	0	6343	3749	6597	0	5385	27547	Phytochemical	0.4	0.8	0.0
16	C20 H16 O8	385.0918	385.09225	-0.10491044	385.09177	70945	86357	77146	80988	79664	54514	25615	31607	94147	256970	152627	22459	105486	47356	36760	37040	21183	102153	106268	158535	181432	154584	45674	32181	24926	176981	22541	96613	20603	19093	28909	16567	38678	22134	327633	16210	36944	31165	28242	115766	120176	33332	1735	424	0	76913	114228	589	27780	19109	78786	66490	62938	589	86697	68622	42565	45206	34199	23843	38701	82822	135067	75964	42390	95068	42614	26467	158862	223882	233219	18590	17138	9661	20709	22144	560	24322	83619	117683	48647	85126	28824	83020	94379	49071	65202	43102	42254	44564	48094	57985	39742	141237	179956	668	77494	72053	74297	78845	76173	35880	22467	29124	65810	39396	71544	546	33158	109359	Phytochemical	0.4	0.8	0.0
18	C20 H16 O8	385.0918	385.09222	-0.12631078	385.09174	94274	94928	87717	89743	93875	60261	25084	26364	89219	252036	164036	22687	139561	62469	37893	37943	20816	124500	134128	165056	172412	168662	54360	40149	31083	177835	24213	110215	25911	20168	26185	22169	47341	24013	292320	14826	36724	28835	23966	121506	105865	38150	3894	484	575	88906	103136	1222	33735	17997	85475	90298	74476	643	104897	84733	48238	43861	35735	29839	36571	81085	151885	91200	50780	113854	63884	22227	169792	219392	227002	21852	15411	6672	15736	23695	652	18292	70570	118364	59527	91179	27087	83507	107973	63425	65639	38059	47889	43311	62073	73627	52858	145959	202523	1734	90662	78339	89789	94256	93565	36108	24117	33289	69814	30487	68324	928	29614	137407	Phytochemical	0.4	0.8	0.0
24	C20 H16 O8	385.0918	385.09213	-0.16513483	385.09174	17501	16951	12289	12050	18608	9162	4148	2625	27047	41874	19992	3401	34386	25109	7461	5476	2518	23833	32591	21647	28565	36828	10557	6636	3329	27786	3369	14217	3159	1357	1938	1584	4453	2752	55283	1590	3260	6642	4878	15866	20715	4562	1839	0	0	17835	21138	0	2555	3042	15239	16233	18452	0	31251	19899	10045	3718	4707	6924	3642	14045	41925	25941	59709	24221	11437	2933	36833	37166	49526	1587	959	0	0	2439	0	4588	23458	28428	16050	14225	4445	15417	33819	16978	14135	9363	12345	5940	5028	7715	6813	40294	53446	0	14531	13932	17075	27718	24597	6485	4618	4917	12379	4392	18633	0	8603	38170	Phytochemical	0.4	0.8	0.0
22	C20 H16 O8	385.0918	385.0922	-0.16891919	385.09174	34597	34987	29559	30131	50138	30697	12182	8115	46987	65345	44496	9686	58877	198364	12433	11067	9986	61650	47266	55930	56752	59288	21011	15891	11163	67132	21975	34485	6980	5197	4459	4752	14325	6780	91004	4651	17466	17048	5773	35704	45223	23105	0	0	1396	35291	59274	0	11172	8511	36838	34391	32216	831	40979	37554	23687	13835	10378	10561	8595	30159	59263	42300	414944	50670	35166	11933	56452	86399	92188	5393	2290	1763	7700	4495	882	8958	33945	49034	31704	39227	11569	32542	54118	31249	31922	19931	23384	13428	18921	19981	13313	77755	95392	0	29835	32142	53920	62352	47216	14708	10955	10878	30697	11815	41531	0	15077	70746	Phytochemical	0.4	0.8	0.0
10	C20 H16 O8	385.0918	385.09232	-0.083378345	385.09177	14020	9614	11024	8928	8344	5808	4786	5367	13394	28708	20649	5350	9762	4994	5615	6138	5498	8960	12108	19433	22887	18634	9043	5127	3157	24039	3895	10958	4406	3601	4695	5217	7761	3707	34038	4982	3720	5600	7612	12035	18044	6334	0	0	0	12646	20491	0	4534	6061	8916	10221	5639	0	9661	10577	5838	4521	4406	11309	0	10956	12563	11027	4113	11414	4757	7862	29380	25047	37560	4186	3738	3397	4407	4245	0	2226	9737	7038	10275	11571	4461	7462	12968	7844	9898	5555	4411	7354	0	3775	5073	16337	18308	0	10524	14158	12010	9626	11134	5343	6878	6994	0	6135	8353	0	5482	9973	Phytochemical	0.4	0.8	0.0
18	C17 H20 O8 S1	385.09515	385.09564	0.018526684	385.09518	18033	13738	15414	13917	10048	20588	2906	4502	15371	63865	24706	4773	51848	4533	4588	5546	3882	19200	43168	34641	37977	41553	6092	7769	8265	20568	4641	21840	5936	3074	3792	3085	7864	0	66501	2958	6886	13518	4597	45011	18204	13870	632	0	0	13524	25576	0	3232	2117	20639	23319	9420	0	19016	12830	7215	5885	13330	9772	5165	36344	32174	37694	4384	20018	9635	4907	18271	37021	23829	3484	3242	2126	4583	0	0	3692	7828	21211	3708	10025	6708	18590	9502	8221	8597	5860	10388	7301	39347	58466	9919	29858	50607	0	18188	21937	11983	12711	11056	5036	3451	14108	7357	6917	12768	0	3898	25150	Organosulfur	0.47058824	1.1764706	0.0
20	C19 H16 O7 N2	385.10303	385.10345	-0.12123079	385.10297	5662	5674	8665	2769	6212	2662	4011	2557	6406	17198	9250	2513	6124	0	2076	3371	4266	6139	3360	7442	10023	10967	2070	2882	4166	7805	4191	4529	2511	1499	4615	2217	8030	2484	20074	0	7329	4034	4593	14561	21110	4043	0	0	0	6456	15900	0	4840	0	7252	4801	0	255	4311	3479	3027	4706	2209	5380	4192	11525	7920	7849	1393	7302	4187	3966	11491	9627	23065	0	0	1639	0	1997	0	2937	7620	24889	3416	8732	2786	9316	4789	2781	8536	6166	3974	12008	6372	11135	10451	27045	21654	0	3546	6920	1583	4808	8421	4856	4040	4294	8830	4792	2363	0	3972	4899	Phytochemical	0.36842105	0.84210527	0.10526316
6	C17 H20 O10	385.1129	385.1135	-0.16293369	385.11285	24952	51502	47508	26058	46582	16419	10856	21314	35496	41658	35503	37426	97864	12777	17577	26005	22809	39636	41577	25532	38348	28259	45954	27775	7569	7537	12631	11356	16074	35234	35168	18679	43074	15504	42798	17692	23322	36700	54082	0	63168	36856	0	260	0	16632	21602	0	23814	21696	28346	57718	47308	408	82578	69758	18279	26212	15425	47238	22470	15762	53627	40159	16293	36028	21648	30598	16469	10243	24817	15908	18082	17703	12438	17079	343	31230	24044	10006	19272	19602	11931	7018	39731	22765	23243	18779	46804	26302	7433	16616	21607	45150	20641	0	25776	52602	27117	80030	88374	27351	34168	25877	12327	19362	64434	0	10099	53880	Phytochemical	0.5882353	1.1764706	0.0
22	C17 H20 O10	385.1129	385.11343	0.10648551	385.11298	10234	10632	9852	10586	7978	8107	3401	7437	11264	10518	6906	7549	8154	0	9476	8196	4655	20435	6809	6377	12500	14494	10017	6769	5852	3683	2772	2717	7753	5796	7127	6059	11257	7806	12848	9289	6962	5758	5989	8814	7134	6451	0	0	987	8378	10666	0	8219	9621	9913	8463	7322	538	18184	9673	6531	9306	6900	5977	5430	8281	15297	15681	3050	10707	6831	4721	0	6884	4824	10345	7858	7196	4439	6853	762	7259	7533	6231	8749	12362	3892	5735	12920	6940	7395	6558	6198	4510	12493	14674	5503	8398	8338	0	10241	8951	10903	7659	9823	4479	9461	5456	8253	6183	5746	0	4625	17689	Phytochemical	0.5882353	1.1764706	0.0
12	C17 H20 O10	385.1129	385.11343	-0.08828602	385.11288	338535	360903	345420	342064	335243	271268	169804	238922	1134758	705472	435517	177836	1129896	137724	424938	229460	204638	1170792	568740	596548	1329030	588685	531092	233345	105961	119230	151999	241152	212696	180463	211425	200582	298316	191933	2016796	194214	279430	442564	179931	770832	422013	211730	6667	1352	820	272743	333314	964	201429	199005	353781	332215	301138	1221	846493	358637	201976	224297	272139	232724	242464	356063	1438408	1233192	311792	441629	262924	193112	334993	269302	347949	209438	197614	192349	161152	184022	571	396050	235853	287566	226763	203549	137550	151259	324677	216804	227427	184610	224780	193778	164337	287493	240504	421753	403085	1890	365440	365538	380749	279845	259945	293207	372714	254893	251239	205865	317770	696	127563	1576310	Phytochemical	0.5882353	1.1764706	0.0
8	C17 H20 O10	385.1129	385.11356	-0.10171218	385.11288	172472	179426	64985	166494	147198	49073	37383	68285	120384	296966	238302	58517	302268	32914	100252	79275	72990	207320	227288	108480	144638	103151	63531	148440	19610	20222	43531	43758	48034	102412	52562	52880	74119	52545	353914	103264	66347	111366	77527	158432	223650	117934	1270	0	258	64970	187378	0	65236	54318	171888	81541	133170	237	148359	185990	105060	60653	60824	73631	74802	60943	333254	256064	51217	190550	62684	80880	68297	44541	93247	57565	62009	49413	88656	109604	306	90574	153836	54280	128842	41548	29347	29363	203884	52312	63405	58169	62334	76619	30107	58088	150700	95296	92455	551	175330	81131	95594	212206	101054	73241	51006	86099	49729	60374	87999	0	34302	293660	Phytochemical	0.5882353	1.1764706	0.0
10	C17 H20 O10	385.1129	385.1134	-0.08744724	385.11288	211789	402128	181861	375508	385502	138738	96627	300254	590298	794786	510844	263552	686084	90269	125634	158554	255796	622554	299288	604662	741944	558142	317820	157053	52780	74248	105122	136322	119133	121559	124509	126117	358326	246806	1015596	119048	355078	243944	310454	396268	515220	260738	5123	0	444	143160	199878	0	128228	269238	398194	202041	321490	856	731624	209224	216120	150875	156463	300352	183667	329306	698170	640610	206380	489926	291386	141083	164753	140025	205290	134035	129040	116237	250142	122395	0	223164	167657	133835	149572	222570	84936	75894	467564	236836	139262	243762	288754	250990	82774	146618	332974	497082	491146	1555	398152	418098	205944	375822	189551	167280	233054	157711	147246	266028	390998	550	78050	767170	Phytochemical	0.5882353	1.1764706	0.0
14	C17 H20 O10	385.1129	385.11343	-0.10158658	385.11288	354474	350381	325783	373115	389248	346977	163017	247572	706113	637598	354771	184956	893031	200972	254750	248605	166721	740816	613271	568858	618254	549066	284472	246140	144044	123678	140318	225162	219659	205710	215793	249332	345733	211093	935837	236286	321689	216249	167793	430585	322568	250699	10621	1423	779	288862	280447	1242	221509	220418	329100	342269	349059	1445	1109632	397251	220831	255749	344807	183614	275232	392041	839668	758050	185314	527878	288498	171706	269667	308636	316850	223513	213714	207998	157574	209739	506	215183	247162	219168	226813	228752	147537	165651	347235	231122	220617	215718	276001	168272	190166	301485	276922	360692	348608	2714	363248	382809	360225	311982	260405	297497	199779	303822	284908	231574	303599	957	131891	849797	Phytochemical	0.5882353	1.1764706	0.0
16	C17 H20 O10	385.1129	385.11337	-0.11133592	385.11288	213695	199035	216500	214474	224079	232837	91602	161420	401688	328372	171973	124150	487417	123076	173273	122002	106048	494397	408173	298766	314481	285853	181877	169999	90914	80526	87986	101235	148774	134745	164114	164317	232741	136437	416384	140246	234955	145663	116949	266866	185277	147840	7269	1218	1404	181051	165896	1504	164795	144574	212864	235906	225571	1240	561059	219951	133309	154618	189212	99737	171530	213087	479809	431421	105186	306663	175319	104327	172641	210158	204978	179689	158269	146829	110788	151017	1053	144193	166745	131591	135940	153671	90722	92136	207692	140049	129173	128576	180895	80137	114755	214605	168238	172596	185069	2434	220922	220197	209572	155346	162655	171671	123629	134109	122836	175837	178462	1212	94255	554132	Phytochemical	0.5882353	1.1764706	0.0
8	C16 H20 O9 N2	385.12415	385.1247	-0.15914099	385.12408	101852	104138	72983	95994	56723	49425	46138	96275	81776	74840	75683	93617	95996	18815	77477	103241	125096	102893	112752	86457	106474	138797	98669	112227	29642	4279	46816	27256	77929	76457	83344	98969	115762	85175	101649	81796	120043	67450	130632	92458	125884	71584	742	0	0	71447	104559	0	98029	93673	96848	99901	66185	0	115350	59333	53759	88965	83051	104779	108913	79550	122369	110981	60904	93767	74839	137219	18943	20211	31442	90060	84759	74061	77517	79383	0	67365	71852	46377	63766	44360	42222	27139	66077	45212	59973	90404	89687	128618	39457	81932	156717	77075	63018	0	101761	102004	50776	59073	62003	127537	81237	111078	56531	118227	56996	0	47896	152780	Phytochemical	0.5625	1.25	0.125
10	C16 H20 O9 N2	385.12415	385.12466	-0.1397123	385.1241	108000	107023	96967	94652	67254	63319	55977	125979	94998	71897	67513	93899	98798	28133	98260	100758	109994	117849	116601	80876	106265	135483	113474	110037	40311	0	61901	30526	93850	91384	95778	98258	138851	92092	109179	90836	131788	81926	115600	102218	119030	77592	1538	0	0	75462	87109	0	93093	104190	106382	104518	76445	0	142898	58956	49978	101100	104309	99256	116432	83534	115636	117284	57491	91975	80657	132461	27510	24468	26600	93005	89812	87349	84283	88374	0	82576	76657	42564	69969	53862	48215	22732	67498	52569	71494	81714	87005	132201	44139	98768	166342	75550	62297	0	102729	104731	56311	55771	51710	131036	94735	105540	80065	115637	60253	0	52848	149347	Phytochemical	0.5625	1.25	0.125
6	C16 H20 O9 N2	385.12415	385.12473	-0.16577888	385.12408	57915	59230	50061	55707	38881	28418	28444	61000	52826	41288	42307	50639	59873	11594	41071	62494	82560	66112	75485	38606	62019	75990	56174	69935	16963	1905	28768	17335	44917	48299	55970	58278	75615	43772	56404	52658	67694	41238	96224	36169	70271	44720	0	0	0	38413	65538	0	61394	56222	54393	57794	43699	0	67216	35415	34145	55106	42153	73923	62413	37751	83710	62575	36817	56543	50723	112610	8841	8621	17244	52153	55940	45862	37397	42665	0	36460	34727	18872	31529	21020	22174	11965	47239	31180	35679	60965	56715	99694	24225	48947	94171	44714	36456	0	57240	55341	27207	41025	40926	71665	46397	66075	38983	76902	33874	0	24973	96728	Phytochemical	0.5625	1.25	0.125
16	C16 H20 O9 N2	385.12415	385.12466	-0.00154779	385.12415	26408	32922	18468	32686	15870	32114	23274	39142	31894	4902	15498	28420	32272	11728	45538	30864	28848	49602	46532	12242	17592	38014	54672	31474	30570	8008	23796	9230	33168	20396	29384	36436	43062	34072	22128	33098	54596	39694	36368	31320	19690	27618	615	0	0	15846	20512	0	29540	34218	26142	25092	30682	0	29040	17560	22188	45998	27532	20342	28188	22090	34934	28624	16820	30206	33262	29594	7983	8865	16626	38070	29760	36300	41138	24974	0	33712	30076	11096	23118	8922	16008	11921	18684	22566	29728	30552	29358	0	15714	34202	0	16894	10382	0	30342	30798	15326	15904	14500	50290	29222	23230	9470	72494	20180	0	29066	49618	Phytochemical	0.5625	1.25	0.125
14	C16 H20 O9 N2	385.12415	385.12463	-0.13587533	385.1241	34002	29071	35939	34315	29108	27586	31323	41235	42128	23969	17388	37708	37180	12515	45159	48963	52102	50039	43925	25777	25324	54449	44941	44329	21609	15898	25968	9645	38644	36240	42757	38722	57943	35298	32731	38991	49823	36572	43253	27124	27298	26890	0	0	0	28465	26832	0	43630	37530	38773	34332	32739	0	51201	21664	21357	50371	48237	33086	54048	28787	42044	41955	23417	41323	32241	46424	0	18803	12831	36670	37387	35536	34616	36870	0	40278	32368	0	26855	19792	19033	10981	24449	17649	31193	35403	32168	48653	21649	44547	76552	24870	19846	0	46187	36698	18578	19344	16475	57268	35409	38915	24622	48892	19370	0	23142	44464	Phytochemical	0.5625	1.25	0.125
4	C16 H20 O9 N2	385.12415	385.1248	-0.184761	385.12408	13758	16277	14191	13767	11357	6444	5815	15445	15397	8870	11544	12773	22267	5039	9359	16217	25986	19644	18033	9260	12422	21431	14830	18113	3227	641	7436	0	9224	11973	10361	12237	16804	9036	12912	10281	16441	8509	28506	10692	15224	12582	0	0	0	8795	14973	0	12291	13811	14361	11477	12208	0	17779	13543	9672	11818	9272	15302	14711	7559	26840	20512	13524	17900	12910	25039	3299	1683	4120	11913	10450	11145	6472	12476	0	9566	9246	5281	9277	6552	5507	2897	18504	9227	9549	16177	16224	21686	5153	9277	24769	9197	6923	0	14734	16121	9774	19092	16987	19167	12138	15473	7887	18132	10758	0	6448	28311	Phytochemical	0.5625	1.25	0.125
20	C21 H20 O7	385.12817	385.12857	-0.1451496	385.1281	202081	232454	205845	187058	205662	150153	75029	106188	212608	534885	369374	72625	263246	167689	111473	125661	81695	237110	258739	480169	519111	267031	123449	127875	113235	768732	69630	331335	95431	85989	81365	86958	121826	87900	624873	83109	134205	86847	80019	345936	303970	103695	8798	3104	1904	240969	240363	3437	102018	87315	210046	213216	163957	2120	207699	171225	110936	125280	103869	80953	111773	231006	273354	164726	101981	225776	135873	84452	646598	901476	934888	100304	80925	61097	72424	76308	2023	73335	169031	190564	136352	163726	87145	264869	209567	130742	150008	117390	128489	114221	169091	175622	161745	235377	265636	4324	208204	192543	185014	183934	196557	107755	82415	139451	166609	95258	166136	2746	95905	274382	Phytochemical	0.33333334	0.95238096	0.0
24	C21 H20 O7	385.12817	385.12854	-0.142441	385.1281	47901	49474	39727	42850	57653	33143	10179	17420	54917	114144	61689	14654	84497	30012	21287	17281	14882	60736	64341	88657	93765	56182	29450	26564	19393	141465	9710	62566	11700	13819	14976	17247	24129	11724	108439	18228	26375	19808	16062	69871	71592	19476	5139	0	0	53051	48280	0	18084	16533	42030	41989	37720	0	60775	45847	24140	26242	20843	15319	26810	45204	76637	41805	21142	63896	26883	17574	135312	172741	202941	19693	10859	9907	10906	13058	0	14028	41652	44600	34075	40999	17864	49003	63522	37529	36140	27144	27652	19688	21958	27800	26717	59153	69441	2610	41321	47513	48798	63829	58434	18417	13572	18579	30186	21108	42179	0	22391	74999	Phytochemical	0.33333334	0.95238096	0.0
8	C21 H20 O7	385.12817	385.1287	-0.28052992	385.12808	10772	12822	7120	9824	4436	2995	5966	8554	4264	17046	11904	6222	5375	3286	6762	10460	8837	4355	4965	11990	12663	9505	5910	11642	3618	11629	6213	6937	8107	8674	8387	10212	8844	5976	20493	6429	7914	6890	10904	11971	12858	2649	779	0	535	12768	12168	550	9682	9515	10814	11158	3875	378	4518	5432	4055	6272	7050	8634	7755	9091	5229	5044	2646	4848	3205	8666	13373	13747	25096	7268	8084	8841	6857	10362	552	5745	10717	6148	7153	8289	7893	7583	4988	0	8591	2700	4934	9494	0	0	7367	6448	7608	993	10927	8136	6617	6838	5116	8972	6269	9436	14380	7841	4141	457	5821	5465	Phytochemical	0.33333334	0.95238096	0.0
18	C21 H20 O7	385.12817	385.1286	-0.11524799	385.12814	245099	242170	222200	226734	225390	147085	101634	138534	210053	603192	388454	96216	257284	151613	124437	159157	97339	261807	267103	558409	515411	264153	160543	173114	108513	834778	93636	349093	131547	108613	133221	127584	164642	125605	620563	112668	152468	119694	116206	370529	331512	116436	8129	1630	1068	248977	241513	1671	142761	121675	229281	249777	167463	1522	210515	175621	118607	163157	112358	107554	144538	243865	287320	181189	109072	238459	152466	116124	704592	935078	1043999	122149	104056	93712	89712	124020	1292	93154	204733	210759	166047	220136	108131	268649	240682	145665	176028	135793	136636	152548	185711	204081	209722	228875	324922	3023	242350	223733	197671	185114	189937	135843	98293	165387	151916	132802	150172	2106	117897	252646	Phytochemical	0.33333334	0.95238096	0.0
22	C21 H20 O7	385.12817	385.12857	-0.1271133	385.12814	124187	111075	102626	106650	121756	90938	33108	67942	134004	288076	182161	39855	142590	88265	58011	67702	40467	150083	129803	249046	246358	151969	83122	67269	60182	375485	29274	176195	45788	42582	45351	40026	51951	37045	329994	33746	61655	55432	42808	175245	156845	51988	8274	0	2401	139936	133096	0	47568	61989	118934	114052	98343	2322	113916	106164	65165	60816	52560	40157	62630	132751	161157	110942	57631	133535	84283	43643	347615	460809	505761	48588	36827	33499	23394	44071	1744	41100	103326	110584	99084	98986	43038	134067	145014	79581	89773	59837	62034	61006	77805	92625	75127	139447	180869	6483	110796	116887	114510	122578	118391	53003	40276	61471	113601	58665	98407	0	59961	169655	Phytochemical	0.33333334	0.95238096	0.0
26	C21 H20 O7	385.12817	385.12854	-0.18011473	385.1281	23159	17492	13207	17236	25267	13163	5163	7726	23494	47178	30962	6890	41141	15367	9965	12607	6690	31395	30333	37112	41149	30498	12023	11298	6169	51800	4167	24733	5389	0	5577	6715	7901	7219	57400	5714	6426	9257	7516	25236	31078	9518	0	0	0	20938	31275	0	5897	0	22964	17971	17256	0	23101	21599	10861	9602	5384	6947	10878	16307	36474	23801	8758	29844	15302	9779	61571	80900	96653	8106	5207	0	0	7495	0	5686	19340	26344	16570	16364	6648	19335	33640	16927	16569	9996	12139	9241	11777	9403	11424	27841	37894	0	21759	17858	16903	27070	30143	7513	6167	7293	12689	7336	16304	0	9577	32809	Phytochemical	0.33333334	0.95238096	0.0
16	C21 H20 O7	385.12817	385.12863	-0.12810203	385.12814	188376	180473	175961	172830	156018	104768	93110	124829	165723	416379	265828	90981	167498	105465	107604	143443	96012	180143	195763	374274	370765	207454	125375	141302	103285	575392	81614	220206	108241	100822	127077	112274	135861	93776	454384	110879	125014	99741	103278	256986	282201	90906	4987	992	1244	191732	214992	2230	135030	113221	185361	190439	122072	1130	148005	117513	90307	153239	104023	111398	149117	167092	189763	134532	76131	163840	115043	109793	486559	683431	735209	133553	115755	92047	79425	122944	1215	85428	169690	153503	138266	172424	111124	207091	185878	104176	149314	92325	108413	172759	128081	151977	185138	165320	240722	2881	190482	181315	147090	153794	137903	117813	86943	122964	120730	134041	131170	1684	112392	202989	Phytochemical	0.33333334	0.95238096	0.0
14	C21 H20 O7	385.12817	385.12866	-0.13756819	385.1281	119302	133370	106356	126172	81597	51417	69838	104128	88207	229993	173118	69769	89364	57110	68719	109843	74516	94891	97676	206100	200857	145878	86508	99452	68400	298165	69542	144188	67222	84469	80318	81926	106290	66545	257622	75716	82596	80919	95261	147160	189156	53137	3592	698	908	124382	158222	1121	91328	88154	113518	118570	65665	777	80319	73473	58548	111961	88512	87917	79108	107025	115472	74941	53479	91562	59945	85705	278490	340520	374905	80536	81296	79539	64813	92124	739	67327	105938	89664	97835	115823	76395	123203	97941	55213	98842	64745	63790	132452	88395	84998	113088	99899	130842	1733	118953	114065	80842	83505	82796	84715	72778	117383	113581	81963	67785	634	78409	92741	Phytochemical	0.33333334	0.95238096	0.0
20	C18 H24 O7 S1	385.13156	385.13205	0.060462732	385.13156	23992	23470	20989	24151	16114	22917	8543	10977	19113	76398	22937	7799	32757	8366	16492	15246	13257	26517	25269	64701	52658	50183	6586	13561	10642	23474	9901	28394	22942	10633	10974	13107	20124	9661	77427	22616	14556	10978	15176	48935	24166	10277	599	0	0	30360	15690	0	12452	16680	24338	25818	16210	0	18388	17291	10430	14551	28288	13494	13874	33532	31994	15971	11953	43424	12306	14920	37156	45106	21656	10364	8886	8242	14811	8452	0	4544	10602	18985	8594	17819	16317	23296	16865	32598	18680	9445	15093	18932	71269	82755	37426	28948	49662	0	23459	22444	14334	14624	24460	30906	15904	24250	18604	13268	17625	0	13935	45734	Organosulfur	0.3888889	1.3333334	0.0
22	C18 H24 O7 S1	385.13156	385.13196	-0.097396754	385.1315	12482	10377	11614	10288	9710	15473	4819	9345	11725	27066	8438	5581	12031	0	6343	6846	7036	12529	15604	20064	25759	27437	4729	10316	14456	11545	5770	8290	10169	8504	5070	4563	9978	8491	32689	6620	10115	4377	9534	23549	9698	6203	0	0	0	12032	11753	0	7728	4418	10931	15275	10653	0	9764	6993	4719	11785	17240	7289	10833	17456	8774	6103	5875	11013	8205	6806	13479	26799	11362	8233	6800	2045	5784	5680	403	4283	4636	5603	5402	6683	12454	9101	4742	5100	11670	5171	10560	11735	34690	35411	16378	10289	28992	0	8848	12418	9033	11615	10437	8925	6544	16964	11176	10630	8770	0	7934	13349	Organosulfur	0.3888889	1.3333334	0.0
6	C15 H20 O8 N4	385.13538	385.136	-0.11575582	385.13535	16444	17705	14153	20516	10664	10189	7027	12665	13557	35210	19599	11942	14982	6960	12268	24641	17298	15540	16042	28276	31494	29095	15058	20173	8401	28512	6178	12220	11663	9628	13207	10331	19768	11479	37473	13128	15536	10504	17329	16488	30714	10874	0	0	0	16785	27148	0	13079	11891	20175	20604	11316	0	17860	9098	7116	18391	5383	12637	18099	14711	20271	12147	6933	13747	12035	28357	30781	39694	48122	11634	7728	7686	13806	9615	0	9888	12226	12733	8731	10195	6075	12124	9042	8921	17915	15009	12784	34232	5479	14253	32237	15056	26097	0	20310	15146	7898	11899	12170	18249	8555	16054	7098	18942	8711	0	8970	20944	Peptide	0.53333336	1.3333334	0.26666668
4	C15 H20 O8 N4	385.13538	385.13602	-0.08372916	385.13535	13468	10288	8146	8315	8454	6572	4938	6781	11087	13770	9072	7529	14737	3258	6537	11023	16599	11707	13206	10250	21877	18113	12158	9584	5454	17714	2540	8370	5631	6395	6198	4991	10975	4308	18163	7699	8390	10198	21738	7972	18036	5298	0	0	0	5984	20520	0	7358	6520	10515	10235	8481	0	15955	9689	6201	11968	3803	8412	10805	5988	12168	9411	4020	11227	7809	15051	21472	17602	27264	4030	4222	5991	5187	6118	0	5104	10574	0	8837	6048	2890	5546	9565	6459	10463	7814	7752	26457	3266	9314	24058	9304	12462	0	9056	9395	9400	11183	11571	7801	7176	6246	0	12490	8391	0	6974	13114	Peptide	0.53333336	1.3333334	0.26666668
12	C20 H20 O6 N2	385.1394	385.13995	-0.02005073	385.1394	24684	28870	22823	26012	20198	18679	17229	22611	20951	48780	45986	13383	23590	14402	15322	27460	23872	17839	27509	70899	95339	48213	19999	29044	18937	83856	9333	42881	22570	14742	21274	16775	39245	15983	89075	19916	28341	16914	35273	64849	90099	18761	414	0	0	52192	51051	0	17516	21296	28440	23188	21541	0	20633	18403	12168	19889	14880	19237	18233	56599	24840	15919	12666	23253	16858	29308	91606	133849	146845	21355	17634	14846	15282	18291	0	14372	28531	42661	27134	30586	19850	44317	18054	13467	24888	17973	20047	54067	33622	33647	51591	54371	49075	0	34187	25399	16945	17424	20377	22946	11999	23117	24106	28676	16078	0	17321	24015	Phytochemical	0.3	1.0	0.1
10	C20 H20 O6 N2	385.1394	385.13995	-0.0901117	385.13937	35237	21105	29466	37280	18365	17865	14958	30401	14054	62779	51275	9217	16765	9726	16758	19560	21843	23005	31516	58439	77177	57376	21295	30308	18219	80500	12425	40233	20292	21077	17827	22631	21803	21303	78659	20897	32191	19417	25813	56336	68690	17362	0	0	0	40409	55689	0	24410	25324	27405	22821	17098	0	19312	13017	12931	26766	6797	17846	15133	35171	18736	21957	12176	22822	14078	33061	66555	104279	118065	22905	20149	18974	24760	18881	0	16386	22314	39505	20432	25648	14330	33770	15316	9148	25850	17066	19692	50201	19365	24409	47160	46222	60044	0	34221	33577	13863	13261	20458	23740	11964	21310	0	24398	16890	0	18336	27142	Phytochemical	0.3	1.0	0.1
26	C22 H24 O4 S1	385.14682	385.14722	0.036055833	385.14682	0	0	0	0	0	0	0	0	0	4635	6664	0	0	0	0	0	0	0	0	0	0	4385	0	0	0	25128	0	7499	0	0	0	0	0	0	5085	0	0	0	0	6811	11292	0	0	0	0	0	0	0	0	0	0	2762	0	0	0	0	0	0	0	0	0	3861	0	0	0	0	2237	0	18043	10190	20534	0	0	0	0	0	0	0	0	8336	0	5380	3324	9240	0	0	0	0	0	0	0	3136	0	10269	6811	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.18181819	1.0909091	0.0
14	C18 H24 O9	385.14932	385.14978	-0.13581717	385.14926	1192506	1200158	1132806	1196074	843666	827066	810360	1359316	1282742	2271690	1098768	715278	1420112	233464	1093496	1082146	751170	1473068	1423466	2107758	1940008	721366	1120364	1247998	437371	432711	340216	488476	1197612	1133428	1052874	632727	1467388	1036624	2869584	605527	1335626	986996	738192	1428610	430281	813194	13253	1997	1189	1104834	365026	2298	1139466	1045722	1098706	1104522	891478	2593	2073232	412829	627244	1220918	706840	341017	720194	1041308	1409450	1399510	524330	1083310	856278	347795	453922	840619	517150	1124312	1104652	1198124	716234	1125628	868	930888	994074	348391	956946	741732	915582	760464	835198	320762	920422	658768	806574	358979	980212	1224390	1332796	370960	1026072	5940	1187314	1249724	770920	380630	351056	1228996	779448	1423280	348654	903578	706482	1711	359838	1387466	Lipid	0.5	1.3333334	0.0
10	C18 H24 O9	385.14932	385.1498	-0.18242072	385.14923	359118	333676	320176	287766	195750	164716	133866	223003	241378	463468	276966	265590	142130	103270	313258	430222	145885	306574	326590	461382	417064	176156	328446	449060	210072	107436	256506	104666	364170	387042	346102	354682	391064	279892	485616	185272	387934	293214	359004	178561	155309	190186	3765	659	841	325262	261228	738	397246	372252	178035	357714	91445	1363	390570	190754	147682	389080	383102	284084	240712	236586	136831	139271	73006	249336	203054	170150	130179	320898	309362	364390	362326	371368	282340	348090	573	140720	331136	92026	303946	240070	286590	172550	240642	169538	279228	75469	105199	283486	107870	145676	430144	203858	300396	2119	349612	369854	93344	196978	108084	179749	256896	449974	117734	297520	187228	578	246236	298516	Lipid	0.5	1.3333334	0.0
24	C18 H24 O9	385.14932	385.14972	-0.012007956	385.1493	10215	10954	8907	8896	7726	7420	6396	12407	10912	21430	5894	9046	15239	4283	7980	11156	5480	18798	11999	13382	13080	8408	11262	13714	8333	3404	4156	4654	13980	11027	10106	10309	11768	9264	17985	11033	10193	6622	4515	10609	6694	5515	0	0	0	9080	5833	0	11264	10080	7469	9387	9042	0	15461	7260	5112	8317	8918	5899	10916	8051	16895	12686	4070	8380	5494	5608	5184	12055	6655	10023	10898	12053	5086	8483	0	10183	8017	0	9142	6930	8662	5115	12615	7067	8550	5140	6058	5488	7417	10971	14871	6608	11736	0	6428	8363	5925	6156	6178	9174	8251	10709	3411	7003	6490	0	7354	13919	Lipid	0.5	1.3333334	0.0
12	C18 H24 O9	385.14932	385.14978	-0.17215876	385.14923	692252	731170	729526	765384	413754	196189	569666	891200	614472	1021500	627262	442336	580392	197236	613920	787606	584410	347068	797064	1153778	975674	439497	704072	837316	475878	242066	470316	282970	789994	660146	709594	379208	815002	633432	1294294	682238	762032	301787	630338	778202	652690	427348	7196	1194	1168	689290	567700	1041	749920	724508	698622	695220	465904	1523	1000714	449620	320940	736804	419403	263233	469376	545782	723194	332635	249634	557598	446954	300764	290822	809164	703058	344053	348116	778700	526386	676344	719	563308	698082	215190	639648	473308	563962	431710	477208	365828	581962	324942	455872	289934	526196	712756	774446	463372	611696	2606	771842	822732	461136	189783	410114	780290	521466	813074	283894	604518	418224	1313	454918	743282	Lipid	0.5	1.3333334	0.0
18	C18 H24 O9	385.14932	385.14972	-0.13613276	385.14926	405918	392798	399719	372893	294680	331999	214517	426505	466905	736200	237117	190721	648272	202379	377042	273061	142211	624003	610210	689864	522636	442247	359107	372546	270523	209169	157453	204249	429233	336254	370934	364793	493593	362575	852447	370074	524720	298239	162162	501738	168954	258159	9492	2131	1694	316533	139225	1818	400543	309584	386442	377562	317091	2237	1025593	311120	213382	366895	408334	125485	318915	302865	567353	515662	143587	410015	316655	150089	201773	541108	256721	390958	315113	403006	168023	359314	1268	292704	274212	150421	244025	183235	235000	205874	264256	221641	261301	193209	283167	141280	369905	516264	421821	187896	312941	3991	392065	371831	257761	202002	199853	404205	228302	372100	161236	265225	220794	2178	203567	645162	Lipid	0.5	1.3333334	0.0
6	C18 H24 O9	385.14932	385.14978	-0.25348952	385.1492	19037	48662	18153	23302	15904	18640	32016	58298	28982	20309	29596	17159	14500	6056	36360	21281	22121	27806	18321	22651	41206	40060	42940	60448	18586	9984	29760	8902	49346	26827	41874	49130	49916	17280	41128	53800	47466	20008	52168	20652	40888	12968	0	323	431	20135	25061	283	61980	26593	40628	21304	22594	334	21792	28714	9320	49036	20052	43090	51362	9879	16155	32050	7080	25800	13588	32758	12684	11147	21028	42106	42102	54038	17364	22290	279	27470	36214	12400	30882	13981	33130	8970	14981	19538	42290	20430	27364	43526	8996	17711	42152	23314	14975	587	20781	41176	9559	13075	16409	47714	34034	27512	12716	21864	15172	0	26928	33538	Lipid	0.5	1.3333334	0.0
16	C18 H24 O9	385.14932	385.14975	-0.14585806	385.14926	650432	656592	683121	683462	494110	534336	388531	688899	826680	1378754	487200	347694	952967	305266	633291	548962	285368	1014683	1050656	1266675	1000563	768491	617964	625464	488558	413774	299438	441979	702025	572685	1318784	667608	1707270	552360	1789062	650002	1700254	1062860	322047	895800	326671	428522	12140	3741	2138	569734	305026	2543	694091	576765	688900	652187	571387	3449	1442317	533098	355385	630226	762468	255098	604758	543925	947627	896143	266713	714457	531221	265749	410977	1054831	473083	1405568	1249166	678349	320615	596424	1663	496499	481019	314792	414309	339952	447144	417904	467232	380505	430673	365285	474545	307910	554464	839076	723457	373086	626794	5451	685672	716402	450263	351867	369443	732010	394452	637222	271267	589003	444652	2752	774354	1076532	Lipid	0.5	1.3333334	0.0
22	C18 H24 O9	385.14932	385.14972	-0.12065988	385.14926	33882	28805	33534	35501	23394	32593	18971	41589	35270	57471	23446	24503	48777	17454	37297	29629	17483	52846	37025	41022	38065	31843	38133	35679	28742	17341	14336	20348	38431	31499	39440	42883	47720	39448	56377	33040	45189	28464	18849	36168	21912	21287	0	0	1189	36738	24555	0	35996	34301	34506	30778	26934	1390	64431	32221	19383	32728	30142	14676	28005	25268	55954	41972	16153	32626	21880	17503	21999	43785	26842	39660	31814	36498	19486	34808	1343	30615	35291	12387	29705	21694	22509	18260	37193	20227	25846	16794	24931	14593	39707	28481	35462	18841	28502	0	30988	29590	18272	30804	22159	40061	23545	31404	16198	32606	20064	0	22925	65567	Lipid	0.5	1.3333334	0.0
4	C17 H24 O8 N2	385.16055	385.16116	-0.19878842	385.16046	31624	34272	29243	29830	18641	18978	14709	34261	26937	26772	18778	22003	37609	11598	27653	28863	31253	33975	38928	27062	32126	50734	29754	38568	15744	2158	17823	8656	31416	24726	32551	30463	39381	23415	42453	31618	39545	25219	43658	25090	30917	22549	0	0	0	28848	31851	0	35671	33348	30866	28508	24212	0	37573	20849	14370	32071	34121	29037	37762	19206	46931	32432	13639	31949	20138	31650	6355	5739	6864	29802	25380	31812	11766	24787	0	21320	24224	13392	21279	15366	19472	8851	25551	18789	21932	23328	24845	32952	27555	34111	56400	17747	22486	0	27556	33557	16450	22703	21785	42013	21709	43806	18305	40000	18281	0	15727	53301	Lipid	0.47058824	1.4117647	0.11764706
16	C17 H24 O8 N2	385.16055	385.161	-0.1314789	385.1605	31048	24410	21868	27410	15194	21718	20533	42453	14623	18074	5277	15279	23083	10299	34080	37252	15156	29016	33743	25749	17770	35649	35729	38879	29319	6211	17636	13022	33740	36816	36834	35819	40504	31428	28494	37569	50458	30573	23543	26955	18099	19976	443	0	0	24965	12971	0	41070	32426	24723	26099	20193	0	29127	10323	14801	39256	31351	14068	42330	14888	15430	22894	13491	21170	22595	20515	4354	23948	9959	40838	29982	36053	41541	33697	0	27338	16539	7803	13715	16047	23796	11034	15540	16604	21865	18109	29440	0	37022	52799	54369	10565	22578	0	25312	23169	10583	7441	8623	36898	22115	37494	9034	46474	13784	0	19874	28953	Lipid	0.47058824	1.4117647	0.11764706
14	C17 H24 O8 N2	385.16055	385.161	-0.19572234	385.16046	76099	77985	77118	85502	43115	50292	78041	129981	53531	60421	29812	54292	60690	23126	94685	95825	48237	87550	88120	77373	60712	113117	78834	101811	86345	14532	63514	31427	108537	100538	92619	108804	126792	94637	87172	105347	116125	81520	43021	74560	34915	54423	0	0	0	76468	33899	0	98792	86494	62379	70794	56642	321	78432	25591	40988	123493	123524	27207	111365	46412	46402	56650	31977	59166	57952	42991	0	33313	17585	102479	89165	109120	53498	79683	0	76676	56029	28159	57667	39922	63362	29814	35195	40724	63505	54897	62992	67133	107980	134973	163012	27506	52498	0	71048	79586	30359	20562	23687	117695	68053	111097	26504	102112	31024	0	67704	66188	Lipid	0.47058824	1.4117647	0.11764706
12	C17 H24 O8 N2	385.16055	385.161	-0.20108353	385.16046	124673	112925	135402	127146	53114	77783	126555	195086	83247	111632	54299	84296	76965	34443	159979	130097	74456	128131	135562	143308	100352	186064	138582	168924	140830	15569	77799	51341	186662	133253	163169	164284	197634	141132	166559	159669	194472	134260	88317	124003	76776	76467	959	0	0	130066	72679	0	149516	154309	135707	130839	71634	0	137709	46903	59074	166808	220827	73091	148536	91704	88259	87092	50480	90806	79302	96570	19887	43633	30522	160297	149218	152775	78457	130110	0	122586	86588	55804	94093	65357	103020	48170	47220	60390	97923	77065	93972	117906	153321	224198	247755	70030	89159	0	139661	123370	50309	35167	36313	182513	113326	158556	52017	155877	54417	0	98274	117208	Lipid	0.47058824	1.4117647	0.11764706
22	C22 H24 O6	385.16455	385.16495	-0.13555497	385.16452	382768	413067	358299	391062	363721	267441	141647	273498	348453	774109	599763	167939	376795	257083	218616	289350	188421	407731	391514	908339	917815	411073	264904	322374	241687	1460609	136555	573926	265174	225498	235213	238955	302051	256848	859690	229358	339118	197078	185428	587236	542031	214990	17852	3832	3269	368545	351351	4792	247924	217422	394562	406252	293324	4809	343142	298591	197144	292774	236130	194587	298974	418640	378655	290202	170845	388787	280062	203095	1204016	1640174	1681024	270080	223857	198372	140288	234086	3264	192633	333868	266265	264338	265540	215516	440216	353572	234967	315941	239975	250294	285698	330796	349025	371258	307135	422543	8416	351954	363618	278607	329786	313221	293211	168518	323617	265290	290921	288535	5452	204041	437201	Phytochemical	0.27272728	1.0909091	0.0
20	C22 H24 O6	385.16455	385.16495	-0.134382	385.16452	525625	572003	515302	460569	460213	322651	247954	398330	433500	956684	685524	267196	539324	334397	344342	436635	298242	447449	537002	1146385	1079963	520567	355703	478459	290784	1899537	244905	645828	340249	330032	324785	352267	442360	333804	1048104	329668	460251	284797	327611	758043	757185	303376	15035	4671	2926	455195	495528	6512	394589	340230	516709	542672	381128	3907	402407	369868	259018	453499	323708	294512	397952	482986	491451	337755	208902	478353	334322	336381	1570105	2111100	2342652	373537	337854	308836	306900	379503	2528	271664	470114	371290	368821	316373	305721	624809	465043	278059	439323	330934	343302	445075	457091	437933	548403	402793	489217	7629	504684	528119	387586	396913	419511	409678	281601	460631	316941	382300	340112	5451	322919	523508	Phytochemical	0.27272728	1.0909091	0.0
28	C22 H24 O6	385.16455	385.16492	-0.19433011	385.1645	19330	15977	18802	17764	20978	11031	9421	12163	17523	29760	23089	9196	26368	16632	11880	17109	11243	23574	24093	27464	37788	17211	12716	17020	9627	46914	8619	23087	11923	12391	11530	12518	17772	11679	32957	15242	14371	8164	12453	19621	26597	11988	2466	1725	0	17069	15342	2487	13833	11271	18837	17712	16508	0	19806	19690	10198	14049	8116	8793	14917	13023	22447	13892	8321	26970	14125	13320	50776	59271	88216	11078	10765	9096	8212	11918	0	9651	19028	17525	14339	12589	11050	16168	23237	9905	22102	9708	12073	17020	16805	15878	19891	17064	15622	2075	18360	17379	14547	31951	29840	16579	9637	15251	11708	13980	11990	1501	11572	19886	Phytochemical	0.27272728	1.0909091	0.0
24	C22 H24 O6	385.16455	385.16492	-0.1412692	385.16452	155016	176411	145416	154894	167424	115191	56948	112045	156108	315920	268012	70511	206289	107139	88197	111252	74239	198054	206385	372150	366844	174098	105068	133669	86015	566281	50824	245741	88520	84235	87683	97500	124196	94816	386653	96104	139077	69085	85419	260196	249071	94736	10787	4015	0	175447	157732	6333	105073	85419	160088	151001	136847	5144	166619	140362	83061	132480	104347	72137	126865	179477	177035	135310	65972	194273	134230	90173	540376	602936	672397	108843	100107	78801	56822	89461	0	76644	143798	119750	108547	117755	78527	194761	174287	91680	125392	98707	120279	105829	120367	142638	172473	143471	183656	6195	162374	162674	121055	147221	158776	113458	66408	122963	114408	107377	117766	3545	80961	192005	Phytochemical	0.27272728	1.0909091	0.0
18	C22 H24 O6	385.16455	385.16498	-0.14859673	385.16452	478134	496325	426950	418068	399790	245605	246313	423082	315746	668858	518391	255227	392550	245353	304616	426858	336480	377949	456532	757019	772570	436543	337413	424067	258695	1426460	246717	464195	345504	332641	341051	368695	420570	368681	619656	343878	400813	283355	368022	590972	611195	252195	11535	3007	1844	373540	366293	3257	399451	345674	488747	442001	312614	2924	347546	303676	237991	437160	276726	303332	397979	370952	421374	285585	192235	365424	289542	390702	1083169	1422527	1812029	353539	284216	332544	310587	372216	1870	256347	466770	291493	393757	307253	300299	398363	426158	249552	401796	281782	287529	449951	409219	388853	497540	302091	404086	4784	432642	408675	327109	360446	353110	374458	262510	397138	212201	325155	282632	2288	312461	378962	Phytochemical	0.27272728	1.0909091	0.0
26	C22 H24 O6	385.16455	385.16498	-0.13715388	385.16452	52924	49895	46410	44676	62831	37068	15793	32761	48806	75955	73527	23660	77786	36823	33036	36696	23739	64478	72357	95746	102570	52643	35255	50983	30350	155781	15214	67062	31822	25757	32513	36362	38911	24874	103514	34638	38769	21609	29657	64176	78575	34862	0	0	0	49914	49913	0	31161	30718	47051	47475	40705	0	51049	56739	30503	35586	28327	20219	36775	45168	62665	44179	19611	62818	44149	34149	159527	162721	217626	33451	25396	23305	21454	35812	0	23137	44230	39983	35761	40119	26303	61791	68432	27646	46245	31237	34669	37781	31824	36454	55340	46141	53031	0	48189	51853	39269	66668	63848	40746	20304	40707	29916	33921	39924	0	26348	58991	Phytochemical	0.27272728	1.0909091	0.0
2	C16 H24 O7 N4	385.17178	385.1724	-0.2992749	385.17166	9171	9400	6831	8597	6200	0	5876	9525	8611	2734	2973	7550	9605	3607	8571	2814	12766	10131	9883	3097	4918	10131	9169	10036	4115	0	0	6633	9358	5388	11238	8877	15126	7948	4140	8338	13045	7348	13922	2016	3696	6755	0	0	0	3196	2184	0	8775	5716	10670	8768	6861	0	9108	3293	4140	11033	3440	3611	3034	1324	9541	7858	4785	10556	7351	20766	0	1066	726	7912	8821	6289	1156	8161	0	6029	8545	19445	5895	1453	2609	708	5384	5075	11182	9920	9128	27020	19258	13337	23077	4132	358	0	8614	8302	5405	4586	5001	9191	6601	4604	1923	13360	6195	0	7075	10090	Peptide	0.4375	1.5	0.25
6	C16 H24 O7 N4	385.17178	385.17233	-0.2123107	385.1717	6215	5894	5582	7702	4027	3555	4435	8528	4589	2820	2293	4939	5573	1701	8538	10053	6678	6530	6110	2370	2780	11043	7924	14526	4913	0	4547	0	4613	5898	7040	6926	12956	6318	5035	7531	9522	7538	8886	1740	1976	3804	0	0	0	4514	2979	0	8849	7134	5744	7126	3684	0	6208	1627	2292	11738	4977	2165	9501	0	3983	3726	2982	4895	4027	9070	0	0	0	6168	5820	6304	2410	4720	0	3894	5951	6180	3895	2156	3663	1391	4059	3848	9991	5056	5804	15799	18180	12950	23802	3332	1850	0	7647	5977	1633	2222	3176	8974	6277	5479	0	13075	3566	0	6562	6611	Peptide	0.4375	1.5	0.25
8	C21 H24 O5 N2	385.1758	385.1763	-0.26833555	385.1757	17025	15593	14032	21092	7320	7690	7666	15561	5777	42614	29605	8825	7811	5824	11411	23225	14919	6502	11458	50201	49622	22229	11202	25363	10313	37224	10626	30049	13322	12076	12160	15852	17247	13743	41469	12996	20407	10855	17533	32595	26802	9393	0	0	0	24184	23495	0	18187	14087	16216	19274	9507	0	7442	4348	4022	16370	1500	7243	15076	17211	5186	4872	4629	7525	9006	19263	31431	56762	58698	13932	14086	10415	10293	13591	0	7864	12236	18585	10841	5584	3776	22632	3164	3779	11753	11206	9883	26538	19281	8357	25874	26570	33037	0	23622	20885	3541	5748	3223	17593	8242	19625	6569	17771	4538	0	11053	4516	Phytochemical	0.23809524	1.1428572	0.0952381
18	C21 H24 O5 N2	385.1758	385.17636	0.15238759	385.17584	67203	63189	45465	70290	25890	30660	40623	66183	23718	80736	63420	34386	32346	22545	39469	79710	59766	46683	33906	138942	120582	84960	42143	79740	46626	115233	49851	74322	45447	41142	49623	53787	81819	42552	95014	52431	64524	39186	76974	116769	139449	34170	0	0	0	86055	61626	0	74631	31230	72387	54339	38034	0	38457	17433	15249	63411	30846	63006	74424	76767	21285	34146	18597	40289	37548	66255	109041	129816	162387	49725	42693	40708	53205	52443	0	34557	43794	66993	44943	53754	54471	86724	24870	23037	58452	44001	38535	115557	120207	106851	112170	67588	106548	0	46584	55644	22398	30723	17529	71412	28521	79728	41100	72240	17106	0	54447	39035	Phytochemical	0.23809524	1.1428572	0.0952381
16	C21 H24 O5 N2	385.1758	385.1763	0.02146216	385.1758	46218	53622	37702	47112	23684	24792	27002	41100	17348	73058	45158	27730	15290	15420	29672	57532	46348	25434	37008	90246	88300	59966	29376	53624	34758	85028	33836	56166	31484	29918	33620	47804	53182	42076	73424	39636	55770	24424	60368	82574	104460	28236	0	0	0	37562	50012	0	48316	44990	45654	42062	30042	0	20620	16948	18502	52850	2708	38570	49858	42012	21442	22042	14932	26752	20442	51708	66062	122032	128050	36892	36260	32760	40858	32262	0	23478	35790	41516	38924	32964	35726	61140	9054	13566	43340	34954	32121	79708	70146	68962	0	54872	69748	0	34644	46144	11615	23703	17462	48108	22043	47482	25090	68132	11768	0	41250	22800	Phytochemical	0.23809524	1.1428572	0.0952381
6	C21 H24 O5 N2	385.1758	385.17633	-0.2712964	385.1757	11967	11513	7897	10249	3941	5072	5176	12126	4272	26111	13687	5773	8503	3385	6774	13134	7242	3762	7324	30304	30981	15261	7812	14870	7370	26586	5271	16298	11134	8875	8085	8899	11435	8897	24504	10091	12675	6842	11082	19464	18752	5764	0	0	0	14675	16152	0	13173	10898	11585	11313	4545	0	3814	2374	2934	10856	938	5453	13690	10604	2172	4100	2320	4010	6285	14543	17314	34088	37334	8135	8615	8455	8280	7045	0	5896	7948	14708	6341	5363	2936	14137	2960	2023	6527	6323	5051	15519	13069	7299	17876	13873	23362	0	12114	9378	3542	2327	2332	10361	6382	11927	8152	9960	1762	0	6573	3076	Phytochemical	0.23809524	1.1428572	0.0952381
12	C21 H24 O5 N2	385.1758	385.17627	-0.18629654	385.17572	21681	18586	20896	21583	9007	7384	10045	14394	6447	36940	34692	11159	6259	8629	9555	16085	22601	8756	11766	49850	63071	21635	16249	17954	13734	54428	12152	26912	14713	12921	15031	17087	23454	17936	48287	13592	18286	10302	23964	43554	48011	11287	0	0	0	26896	26237	0	17612	14481	19577	16783	11297	0	4481	4185	5767	16362	0	15401	0	24672	6477	3949	4727	7213	8783	18592	39126	69713	72079	14121	12838	12964	13147	13666	0	11271	14881	19321	12577	8430	9581	31440	5317	4599	16784	9120	10464	26734	25550	20151	27752	24664	36413	0	18408	14095	5872	5978	6865	15972	9824	13358	0	18757	4021	0	11796	4765	Phytochemical	0.23809524	1.1428572	0.0952381
24	C19 H28 O8	385.1857	385.18607	-0.13236588	385.18564	17259	16538	12145	15995	19109	15960	12514	15447	16943	23168	7117	10749	26572	10127	14328	13202	6524	25391	28875	20038	17605	14765	15830	14413	10845	6379	5242	7317	20701	13276	17315	19618	22880	17296	22213	20217	30164	11373	6720	10261	6044	6400	0	0	0	11071	5666	0	20414	13761	15551	16554	15197	0	29875	18503	7762	18617	15197	5171	14058	10581	31704	19834	6414	17829	13278	7049	5688	18810	6819	17465	19728	16266	7957	17659	0	12262	11391	3611	13064	6325	16101	12812	15621	7661	11301	7484	11747	7735	14151	22150	20546	3981	9799	0	14383	17070	10165	12144	10719	15925	11278	16003	8136	14189	10264	0	10307	27211	Lipid	0.42105263	1.4736842	0.0
10	C19 H28 O8	385.1857	385.1863	-0.27867836	385.18558	61066	25199	29186	57116	12931	13672	33194	40206	16092	13974	12005	57582	19491	7147	61966	109576	37339	17855	22522	26167	27822	29790	53800	78252	53276	15250	34949	10980	42794	39299	68204	41278	35297	30467	46752	83834	38466	29955	48626	13724	17572	19312	631	0	315	25716	21961	0	42376	35068	25935	59140	14868	0	26742	17798	10876	42510	31326	26640	44229	13725	19645	20921	12382	16049	16726	43336	13571	20635	16564	29795	33418	43982	41389	35041	0	23782	39118	14088	24874	37352	55296	12680	21535	15948	34787	10591	21305	39505	23685	24971	40723	16676	46718	0	59680	30005	13121	21572	23474	69060	24749	38795	0	30598	21978	0	50878	15605	Lipid	0.42105263	1.4736842	0.0
4	C18 H28 O7 N2	385.19693	385.19754	-0.22200128	385.19684	16930	17942	14751	15620	9959	17027	9358	17941	12049	13542	4907	7468	16223	19725	14044	16495	12306	18356	16006	16460	11973	23280	13612	18177	15379	2117	10409	6368	20034	13087	12972	17040	23172	16117	23013	15931	23354	11749	14774	11562	6230	16237	0	0	0	13309	9427	0	18974	14291	17007	12481	12238	0	19404	7550	8267	21352	14571	4600	18255	6535	16255	11702	5655	15071	11901	16319	1510	6095	3795	14762	12486	15481	7025	10238	0	11345	11466	6005	9158	6143	8902	4305	9092	10359	11876	9168	11673	18299	32606	34205	32735	6205	11118	0	15461	19138	8753	8378	8352	17955	9266	21837	6391	16158	8977	0	9306	19890	Lipid	0.3888889	1.5555556	0.11111111
14	C18 H28 O7 N2	385.19693	385.19736	-0.24124438	385.19684	19308	18729	18498	14020	7551	9804	11414	26860	9046	9395	4873	13407	7515	5266	18040	22591	15929	16021	13426	15328	11453	28731	15920	21745	27163	2754	11944	0	24446	18873	21718	23070	31502	23487	15385	22965	25424	13745	19549	11977	5438	11577	0	336	0	17117	11896	428	23169	22162	13468	15017	10848	6980	9214	4507	5934	27375	22643	8208	19017	6908	10081	7772	7937	13919	12037	13109	0	5185	1663	22091	20346	23527	10994	18140	0	16662	13233	0	9746	7668	13917	6318	6690	7736	14545	10457	13717	22113	40391	38693	41751	9251	8695	0	19365	21015	4442	4222	5092	22723	13741	22312	0	20438	10294	432	14574	10398	Lipid	0.3888889	1.5555556	0.11111111
12	C18 H28 O7 N2	385.19693	385.1974	-0.22495098	385.19684	9139	18333	19026	14587	10037	9933	16832	29042	11577	11333	4150	12708	9040	5493	20694	19577	16324	17481	14879	13430	12266	22605	15001	27350	19959	2428	10018	0	23555	16877	19630	20055	34532	23617	19067	19560	24971	14692	21821	17194	11591	9143	0	0	0	21488	5480	0	21010	15867	15849	15313	8911	0	17535	6756	6476	29138	16842	10491	20077	9410	7917	10231	4779	9139	11041	21392	0	7514	2952	21861	18608	22683	11211	16347	0	13010	14158	0	11790	10223	15380	6853	6511	7005	18922	9794	13150	30974	33041	41073	44432	10905	11932	0	16149	21223	4418	2999	4154	20337	15393	22245	0	25284	7336	0	17026	17138	Lipid	0.3888889	1.5555556	0.11111111
10	C18 H28 O7 N2	385.19693	385.1974	-0.25552994	385.19684	20821	13242	15106	16438	11703	9849	14116	26833	10654	14727	5479	12479	14018	5039	18757	27233	10645	15464	17021	19525	14246	28737	16462	31104	21837	2106	13596	6151	24036	17881	18558	24318	34018	18685	22655	23340	27940	14964	16746	17851	8025	11464	0	0	0	17767	12326	0	25401	23062	16538	18522	11528	0	14385	5811	8179	26637	16854	10176	28607	7177	9912	8641	5489	11748	10815	16782	0	6554	2973	20452	14739	18904	13444	18631	0	14077	15078	6722	12161	8954	14339	5492	8119	6589	12695	8858	10480	23610	42644	43773	39498	9787	19027	0	21786	25252	4594	5206	4285	23750	13412	24631	0	20256	7285	0	17416	16084	Lipid	0.3888889	1.5555556	0.11111111
28	C27 H28 S1	385.19846	385.19858	-0.04150632	385.19843	0	0	1743	1462	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51119	0	0	0	1412	0	2202	0	2950	0	0	0	0	0	0	0	0	0	0	0	0	2095	0	1783	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2352	0	0	0	0	0	0	245103	0	0	0	0	0	6218	0	0	0	0	0	0	0	6827	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.037037	0.0
28	C23 H28 O5	385.20096	385.20132	-0.18747881	385.20087	30891	29778	25501	27555	33737	20489	20963	29369	25218	31075	33118	16632	34351	22609	24298	30634	37884	32003	38594	39130	43553	28980	26340	29453	23886	68716	30013	31042	33132	32626	24118	26783	38577	25901	41981	34369	33294	18516	37828	27758	36724	24205	6601	6187	6885	23966	24536	6097	28639	28448	29413	28937	26360	9024	27288	31373	17417	32380	20361	16288	32351	19470	31771	25199	14254	36716	27377	41333	69107	59331	84622	20861	31403	29136	20450	25288	5553	19194	29674	25314	19480	16927	21243	25605	31111	19545	30294	23427	22219	31516	28518	28970	35634	26852	24167	4744	28480	27406	18285	41181	43223	45016	20602	32696	17799	28570	24201	5689	17479	28254	Phytochemical	0.2173913	1.2173913	0.0
12	C23 H28 O5	385.20096	385.2014	-0.27312896	385.20084	17623	17828	13661	20720	5398	5604	15386	18611	5396	10215	10041	13582	2953	4170	13165	21344	16939	3871	7667	15530	11195	11796	10874	16628	11491	10520	20805	11123	11995	19476	13009	18028	12447	9285	11721	15557	12453	13979	22350	8331	16497	7016	1006	0	644	10122	15492	1158	16150	19993	18779	16065	7087	550	8941	8282	7848	17681	10983	12757	15981	6136	4919	7172	5827	5504	6996	25106	0	15033	15635	8341	9999	16316	21026	19405	772	13731	19023	0	17603	10235	14613	7554	10469	8080	21230	3804	8010	29615	16754	13076	21749	9073	15783	690	17916	17940	7553	12152	11166	18166	13377	16076	0	11031	7972	843	14145	4671	Phytochemical	0.2173913	1.2173913	0.0
26	C23 H28 O5	385.20096	385.2014	-0.11419211	385.2009	160504	158069	156102	148826	147560	95465	63355	143727	125962	186887	224854	75966	178160	116496	112371	126454	1055138	156540	225866	296731	297338	156046	106708	153272	121306	481951	65086	230455	164038	142095	137268	122733	203975	108530	265708	151420	247185	87819	646759	200756	200870	99673	9050	0	0	127633	118857	0	136570	112379	169361	164731	118452	0	146528	135651	85516	139339	125663	73186	151156	144181	134237	104975	72756	154071	145578	245081	452853	421163	465277	127162	114146	128135	156212	127521	0	95352	120074	126814	98391	98636	106037	157367	138472	96380	123327	99284	106781	99950	129581	130831	194672	121050	150813	0	159935	168370	104697	148268	152173	535930	83218	170496	110272	129870	118149	0	94834	125570	Phytochemical	0.2173913	1.2173913	0.0
24	C23 H28 O5	385.20096	385.20132	-0.13386916	385.2009	517166	567911	483590	525029	451142	313407	225608	415259	361602	712388	772124	252876	503962	303685	324722	449263	803982	497209	599205	1015254	954828	465360	339972	481487	295124	1692120	221148	761337	432810	452480	425384	412209	803443	396887	908374	424557	1019560	271355	712539	708453	677794	282245	17862	3705	6476	416091	385413	5927	435085	335510	543427	480273	363171	9010	399928	343092	233398	447894	338750	253973	464980	462716	393321	327113	195826	487358	377071	444389	1387676	1559172	1818166	405445	367844	393432	504266	466288	0	289093	385173	347776	308739	325889	323191	517710	410505	274171	374796	295674	361859	339401	408426	434783	536135	409451	503818	11265	498976	528924	293660	367854	389848	1150168	258972	536611	294941	459449	307844	6319	284887	417430	Phytochemical	0.2173913	1.2173913	0.0
20	C23 H28 O5	385.20096	385.20132	-0.17666385	385.2009	534648	580946	507662	470330	512818	308229	353050	469902	419019	645998	551925	364672	418532	669744	422833	608587	543482	417938	567679	830921	879629	473833	376458	533536	359957	1566141	369754	509388	451240	445913	377784	449547	529874	395068	686226	439536	534746	354177	591595	569620	724893	345643	13524	3839	1936	379562	407276	4045	501016	415717	546313	539653	414357	2625	417119	416403	311957	544782	373608	424225	469024	367898	429073	368368	254597	436080	356422	580893	1205196	1465121	1927028	383172	405135	417046	542409	470258	1237	331207	567993	398845	430760	274570	394534	480851	489775	342467	582065	368405	382377	614049	530667	457703	594726	374535	428509	5223	520961	518892	381587	540281	506507	583815	340241	554502	276870	464492	438307	4926	432404	469363	Phytochemical	0.2173913	1.2173913	0.0
22	C23 H28 O5	385.20096	385.20132	-0.15765709	385.2009	679399	717684	609415	655999	638369	428746	375635	581942	534536	950030	852910	374392	479109	433715	450279	652868	573058	617788	653457	1228575	1256132	635979	486026	629840	472656	2247049	389775	820219	581632	540977	496576	576218	680959	532216	976021	579294	720838	411084	584680	815617	929991	430369	20323	3561	2344	508576	559424	5387	584684	539044	685664	648909	546110	3976	536657	504024	378082	652794	426085	409859	610327	568498	550910	451008	297983	578141	474418	588573	1808636	2179321	2640772	533462	463127	488438	473895	563855	2025	386485	604510	453253	493535	381041	427584	616267	635864	424812	605861	465649	492039	584375	630255	652548	702487	515344	651333	8283	599003	680639	460151	598934	529293	858514	403862	704877	380862	570935	502473	5299	461172	565628	Phytochemical	0.2173913	1.2173913	0.0
6	C16 H32 O10	385.20682	385.20746	-0.20608915	385.20676	14324	14752	20088	11625	3859	16757	3804	25414	4738	8117	6880	2230	3514	16354	11874	21360	3049	7574	4872	10782	7853	16113	9484	27474	13413	2499	3650	31730	20714	11923	20186	14996	21732	18926	12979	13351	23194	9652	5762	4992	4053	9105	0	0	0	4226	0	0	17894	5808	19694	13417	3378	0	8670	3658	8721	24600	5200	4197	19150	0	7841	4244	8413	10631	7716	13386	0	5111	0	13704	9960	17756	0	15602	0	10870	10449	42191	4451	1224	7532	1716	2353	3599	8980	4749	3337	24876	121403	60038	30010	9894	8581	0	15192	8658	4565	2864	2274	12570	7510	14369	0	15474	2273	0	14568	9999	Unclassified	0.625	2.0	0.0
10	C16 H32 O10	385.20682	385.20728	-0.21061082	385.20676	116771	104729	92943	76533	27518	32046	36219	39856	6373	78512	250734	12097	13481	32940	17184	79266	16990	15468	5709	53372	45295	64790	18280	28618	12781	14331	140046	319300	19350	21221	16348	9404	23270	12490	14739	36354	15296	14769	27781	183016	141292	21524	48847	5327	5208	190118	166266	12581	20116	22596	111930	111851	11090	6117	8856	7675	12365	51174	294161	62883	1387798	203210	56844	14052	13644	64792	95353	26504	150782	85144	86905	36684	14101	32715	38217	21653	6689	17651	0	342059	10688	15010	7169	8772	10229	5502	16918	25770	25080	29479	108890	44491	31602	108803	253921	7037	78076	82960	14469	3945	9374	32472	10470	76244	3536351	19154	9462	12931	15034	27030	Unclassified	0.625	2.0	0.0
12	C16 H32 O10	385.20682	385.20752	-0.053022258	385.20682	1863	0	4629	0	0	3098	0	0	0	2083	18195	0	0	3074	0	0	0	0	0	0	0	0	0	0	3511	0	6562	48375	1454	0	0	0	0	0	0	1755	0	2047	0	0	0	1578	22256	2837	2622	19135	8125	2717	0	0	3272	0	0	7537	0	0	0	0	73002	0	50020	27715	0	0	0	0	8405	0	0	9279	0	0	0	1217	0	0	6131	0	0	74019	0	0	0	0	0	0	0	2395	0	0	11503	3020	2605	5892	13502	2014	0	0	0	0	0	0	0	8325	405363	0	2103	6159	1461	0	Unclassified	0.625	2.0	0.0
8	C17 H28 O6 N4	385.20816	385.20853	-0.26451835	385.20807	1743	2450	2659	2843	1098	2303	1719	3879	1188	0	1744	0	0	0	1728	4503	1333	1314	894	1374	0	1630	1069	1535	2551	0	1419	6091	1946	1466	2263	2687	2168	1868	0	988	4163	1556	1608	0	0	1596	0	0	0	0	0	0	2799	1570	2994	1595	807	0	1460	0	1229	3188	0	914	0	0	1123	763	0	1487	0	2087	0	0	0	1885	3178	0	798	1559	0	1559	2060	16200	722	0	1426	0	999	0	3166	729	1597	5289	36485	13671	7688	2585	0	0	2385	2672	0	0	0	2424	780	0	0	3026	0	0	2448	2790	Peptide	0.3529412	1.6470588	0.23529412
2	C17 H28 O6 N4	385.20816	385.20877	-0.21840698	385.20807	5805	4589	3385	5619	2892	0	3399	6672	3271	1514	1818	1986	5219	1354	4637	2317	4698	7695	3736	1148	1673	4652	3430	5501	3130	0	0	9715	6189	2808	4999	4547	7956	4726	2226	5053	6044	3904	5598	467	0	0	0	0	0	1416	614	0	4764	3162	5103	7413	2619	0	4893	1065	1504	7318	757	515	4596	380	3650	3550	0	4423	3744	7271	0	491	0	5037	5220	4147	561	3228	0	3178	4613	46591	2553	0	1337	352	1767	2309	5885	2955	3706	9299	50632	25352	14191	6390	502	0	5095	6278	1845	1270	1263	4363	2986	2148	521	5984	2826	0	4210	4848	Peptide	0.3529412	1.6470588	0.23529412
0	C17 H28 O6 N4	385.20816	385.20868	-0.43710676	385.208	3272	1965	2598	0	1264	0	0	2070	1854	0	0	0	0	0	1327	0	3387	1370	1879	0	723	0	1730	2334	0	0	0	3519	2625	0	3002	1662	3700	1969	0	2048	3286	1089	2811	0	0	0	0	0	0	0	0	0	2321	0	1755	1521	1527	0	1613	431	0	3386	698	0	0	0	0	1596	0	1789	1823	4289	0	0	0	2318	0	0	0	2058	0	1485	1454	29497	1565	0	0	0	1087	0	1851	0	1681	4084	15258	5216	3657	2617	0	0	2153	0	772	730	0	0	0	0	0	3246	1292	0	1643	2026	Peptide	0.3529412	1.6470588	0.23529412
4	C17 H28 O6 N4	385.20816	385.20874	-0.19976705	385.20807	3641	2056	2179	2707	1128	2000	1197	2849	1494	0	0	1160	1854	1379	2984	2685	3472	1962	1971	0	890	3306	2181	3770	3727	0	2148	4851	2954	1994	1627	1915	3808	1920	1587	1818	2648	2283	3348	0	0	990	0	0	0	0	0	0	2543	1892	2502	2132	1862	0	2346	495	1066	5129	905	701	2138	0	1568	1132	0	1388	1779	1984	0	0	0	1881	1614	3639	1090	1311	0	1735	3500	24383	1451	0	1023	0	1740	1691	4833	963	1899	5265	27552	13153	8271	1770	0	0	2225	2248	1196	460	951	2505	1851	0	0	3380	1399	0	2804	2030	Peptide	0.3529412	1.6470588	0.23529412
28	C14 H32 O6 N4 S1	385.21152	385.2119	-0.13779406	385.2115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6408	0	0	0	0	0	0	0	7150	0	874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2653	12680	0	1182	0	0	0	0	0	0	0	0	0	0	0	0	2712	0	0	0	0	0	20795	0	0	0	Peptide	0.42857143	2.2857144	0.2857143
8	C22 H28 O4 N2	385.2122	385.21268	-0.23878443	385.2121	3390	3330	3471	4263	0	1641	2981	7039	0	7056	4028	3008	0	0	2955	8308	4632	0	3079	13084	7821	6245	2931	10326	3954	5234	2565	3611	4779	3817	4298	7753	5410	4305	10072	5776	4341	1859	4858	6664	2602	1779	0	0	0	3351	3390	0	5945	2983	4483	3490	1590	0	0	0	771	8806	0	0	10329	1375	0	741	0	0	1407	8578	0	7763	5644	6277	4101	2686	3943	5967	0	3040	2642	0	2248	514	0	4339	0	0	2677	2447	1455	11735	0	0	49055	3767	9614	0	5126	3731	0	0	0	3751	2947	4426	0	14543	0	0	3328	0	Phytochemical	0.18181819	1.2727273	0.09090909
12	C22 H28 O4 N2	385.2122	385.2127	-0.13710815	385.21213	1982	3359	2638	4322	20386	8345	3158	4459	6993	4738	4625	1707	5346	11016	2024	4517	4425	1297	2217	12041	8215	0	3034	2979	2813	9025	2498	0	3938	5726	3746	3234	5981	5304	5659	7604	6599	2712	4469	4133	3964	3008	344	0	0	2807	0	0	7158	5621	1436	2640	11655	0	1701	2167	961	6024	0	0	0	0	1456	1301	0	1465	2749	7541	0	11540	6235	5800	4373	4575	3508	4780	0	1665	2123	0	2060	0	0	5900	5309	1166	3450	2793	1687	10940	8925	0	5844	3962	3823	0	4173	5676	0	1127	1574	6393	3272	0	0	4190	0	0	1162	1199	Phytochemical	0.18181819	1.2727273	0.09090909
2	C24 H32 O2 S1	385.21957	385.22003	-0.33974665	385.21945	0	0	594	0	0	0	0	0	0	0	0	0	0	0	397	0	0	0	0	0	0	0	0	0	0	0	0	3245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24252	0	0	0	0	0	0	0	372	0	0	2572	0	0	1158	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.083333336	1.3333334	0.0
18	C20 H32 O7	385.22208	385.22244	-0.2595776	385.222	32014	28531	29933	28604	20546	17586	68131	29945	11023	8695	7426	24571	29875	15246	28768	37262	34039	17065	35353	12606	11478	12699	23762	30561	26486	9213	54210	8882	48041	42341	34173	38299	40746	38902	8825	42871	40564	22467	43793	5313	7305	20542	1643	0	0	7476	8087	0	45015	21402	28662	25516	18691	0	22342	19635	17416	36144	14367	11551	34391	3560	22419	19472	22167	25090	26617	39997	5169	3663	5049	24926	29942	38486	41557	41016	0	22479	23088	13852	21020	11435	93322	49533	28091	22489	45992	19093	24087	29375	39367	37173	36295	6041	10534	739	29213	25032	14112	28620	34234	43207	18829	19305	7509	26784	18748	0	26856	16248	Lipid	0.35	1.6	0.0
20	C24 H32 O4	385.23734	385.2377	-0.21536335	385.23724	118181	127474	113422	113075	103066	62516	122561	113903	98282	71451	92046	94101	81490	76009	97430	163458	270220	91712	124729	89704	100673	86209	81962	108163	96602	158707	138572	86159	103642	115993	89706	125532	132340	80876	77457	120471	122349	102595	264089	65432	116494	87901	3435	886	0	58728	98348	1150	122099	102458	117817	125438	101769	431	103636	112290	91842	128610	71860	113663	120127	50293	84461	82536	86495	76011	86529	290863	132419	139097	216112	65027	85906	116791	223718	119379	0	70716	169071	86031	111089	50898	96910	86832	151457	104477	193988	93058	93321	251352	127256	96477	136809	77077	77645	0	109044	126878	96908	157007	164810	150183	87198	113920	56129	114919	123144	0	135264	89180	Lipid	0.16666667	1.3333334	0.0
24	C24 H32 O4	385.23734	385.23767	-0.17905739	385.23727	418806	445759	409626	439432	463824	249344	305109	388498	326056	449239	628875	275997	340734	280576	293010	553349	576869	367302	632128	594450	615433	337730	288472	364317	334313	1295061	309786	568941	423542	433388	333612	459552	511470	377993	528907	492854	476386	290888	604595	427078	538389	281389	12840	2476	0	267897	312085	3397	442361	376579	446611	421813	384817	0	385823	369981	250696	485613	253429	291448	461959	274155	328927	301265	217957	362877	371765	636320	925240	905774	1234466	280749	344924	417291	496733	429528	0	252955	432095	344340	309680	235311	307423	371325	485179	326375	540426	337891	405178	585618	403516	372551	430012	332041	379196	2642	418943	442264	285331	443668	479264	607132	267352	470635	212974	381113	393143	0	378193	318740	Lipid	0.16666667	1.3333334	0.0
26	C24 H32 O4	385.23734	385.23773	-0.15401924	385.23727	276181	274118	266309	256858	278013	144405	174814	283763	229967	247100	415603	176544	230332	172174	193712	390654	253162	242070	417552	432634	374426	274299	164365	258115	253382	935404	172960	428278	303297	336762	245451	300682	332667	216873	354259	375226	319321	179295	263296	298869	343655	203414	7423	0	0	220854	207891	0	270451	276404	274745	269004	236587	0	270526	276576	163492	341556	197916	157514	310465	196928	198040	193003	124148	228879	268067	321986	732355	602221	690938	192543	208124	339681	257403	349506	0	159952	258908	310894	163058	186108	236090	275699	298036	199990	319924	205653	235931	307471	260876	279601	310872	296338	277881	0	259724	297498	187184	324168	345907	411525	174395	325232	189228	231391	248210	0	240673	183692	Lipid	0.16666667	1.3333334	0.0
14	C17 H36 O9	385.2432	385.2439	-0.13129878	385.24316	2023	1837	0	2332	0	0	0	0	0	9171	31531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2649	0	0	0	0	0	0	0	0	0	0	3113	0	0	0	0	0	0	0	82979	0	0	9858	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	306527	0	0	0	0	0	Lipid	0.5294118	2.1176472	0.0
12	C17 H36 O9	385.2432	385.2437	-0.12644517	385.24316	1351484	1358923	1295959	1243912	9453	1027	0	4635	2057	2739497	5616377	0	5409	2797	0	6210	2707	2507	0	2633	39818	10582	0	3479	0	0	9272	0	2132	166962	2135	9487	6288	0	162440	2563	6062	0	5108	977164	465501	1473	10088	382	366	764029	2238945	725	4682	3674	1297637	1318272	13675	10632	16251	0	881	3265	8680078	14819	0	2896755	9985	0	1674	11169	3919	5936	0	8802	11969	107805	3938	4524	32561	1614	710	0	0	17877	0	1009	0	66533	1454	10125	0	8770	0	7100	41143	31043	9155	505422	56267	426	1404646	808791	2092	0	0	14169	0	187270	39817641	6780	0	366	0	3230	Lipid	0.5294118	2.1176472	0.0
8	C18 H32 O5 N4	385.24454	385.245	-0.17739962	385.24448	8546	5658	9323	6465	0	4347	0	1107	0	1282	3683	770	0	0	866	1709	0	0	0	0	0	1204	0	0	0	0	786	44939	2246	2341	2463	2282	1798	1662	0	2939	3010	1119	0	0	0	0	0	0	0	0	0	0	1749	1579	5119	6399	0	0	0	0	0	2281	0	0	0	0	0	0	0	0	0	0	0	0	0	2292	2185	2464	0	1581	0	0	0	288281	0	0	0	0	0	0	0	0	0	2990	564865	149357	2439	39595	2972	0	6700	4372	0	0	0	1499	660	0	0	1362	0	0	0	0	Peptide	0.2777778	1.7777778	0.22222222
2	C18 H32 O5 N4	385.24454	385.24515	-0.14086072	385.2445	1325	0	1132	1148	0	0	967	1086	0	0	0	1001	0	0	1046	870	1337	895	0	0	0	611	946	693	1139	0	0	10486	928	807	613	764	1221	666	0	1784	1552	551	1196	0	0	0	0	0	0	0	0	0	901	875	956	1419	371	0	520	0	0	1416	0	0	893	0	0	0	0	564	0	769	0	0	0	843	1504	995	0	628	0	708	432	284720	439	0	0	0	0	392	1827	0	479	2410	44321	18580	2169	8885	0	0	1371	1643	0	0	0	0	776	229	0	1265	0	0	948	0	Peptide	0.2777778	1.7777778	0.22222222
6	C18 H32 O5 N4	385.24454	385.24512	-0.17038462	385.24448	7764	7462	7010	7415	0	6149	0	857	0	0	4111	0	583	0	979	3213	0	2165	792	0	0	1306	627	797	1059	0	0	52394	887	0	681	1185	2744	1377	0	735	1053	550	0	0	0	0	0	0	0	0	0	0	1543	0	6044	7060	813	0	0	0	0	2199	0	0	0	0	620	0	0	0	0	0	0	0	0	0	660	1045	0	0	0	0	816	696189	0	0	0	0	0	0	1052	0	0	1313	540936	192713	2045	39041	5962	0	8145	6073	0	0	0	0	0	0	0	739	457	0	982	0	Peptide	0.2777778	1.7777778	0.22222222
4	C18 H32 O5 N4	385.24454	385.24515	-0.18951048	385.24448	6165	4451	4975	5371	395	4624	0	0	0	0	2749	353	519	0	490	1362	0	874	464	0	0	900	0	0	892	0	741	19006	0	585	536	0	1693	0	0	529	520	502	0	0	0	0	0	0	0	0	0	0	0	0	3844	4370	0	0	518	0	0	993	0	0	870	0	839	221	0	626	0	0	0	0	0	364	476	599	0	348	0	0	1621	437054	0	0	0	293	0	0	1826	0	0	2344	397586	141210	1412	30308	2744	0	3673	4658	0	314	0	622	708	0	0	638	0	0	706	696	Peptide	0.2777778	1.7777778	0.22222222
10	C18 H32 O5 N4	385.24454	385.2449	-0.21524256	385.24448	1395	0	0	1290	0	0	0	0	0	0	1512	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5679	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1463	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45338	0	0	0	0	0	0	0	0	0	1567	158880	37527	0	4154	0	0	0	1924	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2777778	1.7777778	0.22222222
12	C21 H33 O3 N2 Na1	385.24615	385.24698	-0.011451736	385.24615	0	0	0	0	0	0	0	0	0	0	3368	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7657	0	0	0	0	0	0	0	0	0	0	13201	0	0	0	0	0	0	0	0	0	0	16640	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5476	0	0	0	0	0	0	0	0	0	0	524595	0	0	0	0	0	Lipid	0.14285715	1.5714285	0.0952381
2	C25 H36 O1 S1	385.25595	385.25613	-0.6840769	385.2557	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6290	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37472	0	0	0	0	0	0	0	0	0	0	23342	1837	0	1071	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.04	1.44	0.0
22	C25 H36 O1 S1	385.25595	385.25613	0.004146665	385.25595	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4593	0	0	0	0	0	0	0	9413	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5090	0	0	0	0	1591	22457	0	0	0	0	4719	5215	0	0	0	0	0	0	0	2409	9334	0	0	0	0	0	8414	0	0	0	Organosulfur	0.04	1.44	0.0
26	C21 H36 O6	385.25845	385.25867	-0.25854844	385.25836	9364	6369	4983	7459	5917	3763	62317	0	2504	3228	11113	0	6973	22158	0	0	0	0	8463	0	0	0	0	0	5235	0	47050	40582	9744	0	4981	7525	10164	5988	3139	5511	8989	5650	3353	3114	2395	0	0	0	0	0	0	0	7343	0	7907	8165	6708	0	5344	0	3134	6216	15287	3662	5036	8004	5069	3409	22676	14397	20077	2533	0	0	0	4139	7257	0	0	5709	0	4316	0	30971	0	16062	21441	9604	0	20927	5045	4765	5507	4019	37792	29076	4652	4073	0	0	9313	8057	3552	3348	5088	7141	0	7374	50935	5152	0	0	6765	3099	Lipid	0.2857143	1.7142857	0.0
20	C21 H36 O6	385.25845	385.2587	-0.39846897	385.2583	0	0	2196	1456	0	0	24960	0	0	0	0	0	0	2422	0	2686	2802	0	0	0	0	1827	0	0	2416	6254	22229	0	0	0	0	0	0	0	0	2039	0	0	2680	0	0	0	0	0	0	0	0	0	2187	1696	0	0	0	0	0	0	1693	0	0	875	2071	0	0	0	6724	0	2715	3485	0	0	0	0	0	0	2168	0	0	0	0	3527	0	0	40819	32314	1793	2763	1778	0	0	0	0	0	0	0	0	0	0	2009	0	0	6461	1624	0	0	0	0	2698	0	1973	0	Lipid	0.2857143	1.7142857	0.0
22	C21 H36 O6	385.25845	385.25873	-0.25945836	385.25836	6229	8420	7466	7420	2967	1262	101506	17349	0	0	1717	1280	4215	12146	3183	11243	6363	0	0	0	0	0	0	1635	5401	13549	81511	7987	7263	3953	8526	9001	14810	5263	0	6272	13603	1574	7758	0	2056	1920	2610	0	0	0	0	0	15334	7398	6034	7347	0	0	0	2273	5110	12223	0	2472	12160	0	5870	0	24658	7656	7242	4499	0	0	1947	5270	2534	2011	16779	6674	0	2796	0	8083	0	2222	80025	63308	4122	11355	3649	1975	3153	5921	15313	8348	2132	0	0	0	4433	5835	2688	5601	19610	16337	1604	2014	0	8468	11023	0	6809	2156	Lipid	0.2857143	1.7142857	0.0
22	C20 H36 O5 N2	385.26968	385.27023	-0.2087257	385.26962	0	0	0	0	1588	0	0	0	0	6441	0	0	0	0	0	0	2699	0	0	0	0	0	0	0	0	0	0	0	0	2797	0	0	0	0	0	6121	0	0	0	0	0	0	0	0	0	0	0	0	0	2097	0	0	0	558	0	0	0	0	0	0	0	0	0	0	0	4188	0	22996	0	0	0	3435	1088	0	4331	1728	0	0	0	2583	0	0	0	0	0	0	0	0	0	7961	7537	0	4401	0	0	0	0	0	0	0	0	1961	0	0	0	0	0	0	0	1878	Lipid	0.25	1.8	0.1
18	C20 H36 O5 N2	385.26968	385.27	-0.32802007	385.26956	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3450	0	0	0	240	0	0	0	0	0	0	0	0	0	0	0	0	0	2157	0	0	0	0	0	0	0	0	0	0	7650	0	21634	0	0	0	0	0	1507	0	0	2081	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2966	0	Lipid	0.25	1.8	0.1
10	C20 H36 O5 N2	385.26968	385.27017	-0.19928332	385.26962	2148	2419	1854	0	0	0	0	5201	0	0	0	4324	0	0	3509	31229	0	0	0	0	0	0	13094	108185	7734	0	0	0	0	1358	1743	0	0	1498	0	1001	0	1831	0	0	0	0	0	0	0	17855	0	0	1614	0	2928	1987	0	0	0	0	0	22915	0	0	23808	0	0	0	0	0	0	0	0	0	0	3169	2023	5131	0	0	0	3628	5326	0	13200	0	0	0	0	0	2632	0	0	4258	0	0	4720	0	0	0	3205	1782	0	0	0	1307	3359	0	0	1514	0	0	3319	0	Lipid	0.25	1.8	0.1
24	C20 H36 O5 N2	385.26968	385.26965	-0.40335447	385.26953	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20408	0	0	0	0	0	0	1051	0	0	0	3267	2266	0	1941	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.8	0.1
22	C25 H36 O3	385.2737	385.27405	-0.29566467	385.27362	16529	13979	14478	15471	6711	4604	25491	15894	11942	3621	6392	11224	2896	8966	12036	25026	53374	4817	16742	3255	4201	7669	9085	8269	16092	13591	25911	10999	14967	18596	13124	23578	17158	10613	5056	18860	12674	16423	56453	3463	7863	11805	0	0	0	4998	8710	0	19546	13500	16449	15359	13441	0	9959	14066	13412	23852	4315	15991	15295	2515	3697	5259	12715	7279	14465	68867	8053	6000	11787	5145	9846	15791	46757	19499	0	9031	19597	12551	17471	8571	14234	8264	16371	19105	38747	9453	12764	73157	12501	11627	12790	5929	4297	0	10259	12879	12155	24126	25762	18248	13633	9493	5163	14247	19602	0	25269	4202	Lipid	0.12	1.44	0.0
26	C26 H40 S1	385.29236	385.29257	0.119140536	385.2924	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8761	0	0	0	0	0	0	0	0	0	0	4372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20259	4401	0	0	0	0	0	0	0	0	0	0	0	0	8571	0	0	0	0	0	Organosulfur	0.0	1.5384616	0.0
26	C22 H40 O5	385.29486	385.29495	-0.20127778	385.29477	2690	2388	2616	2988	0	0	119363	0	0	0	11951	0	0	32520	0	0	0	0	0	0	0	0	0	0	0	0	108239	34819	0	0	0	0	0	4685	0	0	0	0	0	0	2529	0	0	0	0	0	0	0	0	0	2997	0	0	0	0	0	0	0	0	0	0	0	5498	0	26645	0	3564	0	0	0	1815	0	0	0	0	0	0	0	0	21593	0	2709	13109	12623	0	0	0	0	0	0	15042	12107	0	0	0	0	3350	0	2752	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22727273	1.8181819	0.0
24	C22 H40 O5	385.29486	385.29495	-0.392231	385.2947	1519	1551	1489	0	0	0	53988	0	0	0	2520	0	0	17538	0	0	51534	0	0	0	0	0	0	0	0	0	48947	12676	0	0	0	0	0	0	0	0	0	0	60780	0	0	0	0	0	0	0	0	0	1773	0	2110	0	0	0	0	0	802	0	0	1091	1158	0	2059	0	11167	0	1783	7738	0	0	0	0	0	0	1277	0	0	0	0	6052	0	718	9359	14025	0	0	1253	0	0	0	16960	4192	0	0	0	0	1414	1957	0	0	2345	0	0	0	0	0	0	0	0	0	Lipid	0.22727273	1.8181819	0.0
26	C26 H40 O2	385.31012	385.3101	-0.2227933	385.31003	0	2329	2850	2237	0	0	21137	0	0	0	2188	0	0	2771	0	0	12287	0	0	0	0	0	0	0	0	0	21750	4409	0	0	2241	0	2076	0	0	8631	0	6731	13009	0	0	0	0	0	0	0	0	0	2281	0	2732	2974	0	0	0	0	3058	3826	0	0	5441	0	0	0	4792	1386	7846	12057	0	0	0	0	0	7840	0	3237	0	0	6442	0	2991	3987	2226	3142	0	0	19135	0	0	17566	2242	1757	0	0	0	0	2429	0	2435	0	0	4867	2962	0	0	0	0	0	5773	0	Lipid	0.07692308	1.5384616	0.0
0	C22 H44 O3 N2	385.34247	385.3433	-0.3755367	385.34232	0	0	0	0	0	0	0	0	0	2153	1193	0	0	8586	0	0	0	0	0	0	0	0	0	0	0	1343	1313	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40148	0	0	0	16852	0	0	0	4621	1936	0	0	0	0	0	0	0	0	0	1152	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13636364	2.0	0.09090909
14	C15 H15 O11 N1	386.07178	386.07236	0.047175832	386.0718	1982	2470	2041	1688	14312	4912	0	0	13116	0	0	1332	31931	3867	2376	0	0	13294	13969	2393	2644	0	7086	0	0	0	0	0	0	1222	2772	0	1551	0	2255	0	0	2892	0	1426	0	4761	0	0	0	0	0	0	0	0	1766	1900	9464	0	19019	18533	6251	1454	0	0	0	2294	32105	22068	6894	14574	5937	2311	0	0	0	0	0	0	0	0	0	1222	1462	0	0	2049	0	897	15292	3312	1821	6851	6263	0	0	0	1925	8091	2703	0	2565	2991	11607	15577	17736	0	3082	0	0	0	9590	0	0	29220	Phytochemical	0.73333335	1.0	0.06666667
16	C15 H15 O11 N1	386.07178	386.07227	0.029226176	386.0718	2424	2383	1820	1614	10982	0	0	0	9605	0	1484	3333	20417	4391	1493	0	0	6617	5814	0	0	3365	3094	0	0	0	0	0	0	0	0	0	1918	0	0	0	0	1020	0	1310	4292	3823	318	0	0	0	1706	0	0	0	0	4376	4797	0	8381	13356	3930	0	0	0	0	0	17753	12658	3070	7523	1630	0	0	0	0	0	0	0	0	0	0	0	0	0	1234	0	0	0	14089	2445	2514	3571	4142	0	0	0	0	2129	0	0	0	1814	4342	10946	11480	2715	1868	0	0	0	6118	0	0	18260	Phytochemical	0.73333335	1.0	0.06666667
10	C15 H15 O11 N1	386.07178	386.07248	0.12322755	386.07184	0	3892	1936	2756	8684	3155	0	0	13225	1286	2088	2460	22043	1836	0	0	1912	10624	10775	0	1405	4579	2601	0	0	0	0	0	0	1101	0	1290	1596	0	1747	0	1696	0	0	0	2123	4441	0	0	0	0	2484	0	0	1004	3710	3337	4901	0	14714	15003	2855	0	0	1390	0	0	27783	19122	2659	16846	4873	1305	0	0	0	0	0	0	1121	0	0	910	1628	0	1219	0	0	0	10471	2454	0	4895	5889	0	0	1908	1954	4990	0	0	2502	2669	5791	11681	11479	2176	1267	0	0	2029	7132	0	837	26463	Phytochemical	0.73333335	1.0	0.06666667
18	C19 H15 O8 N1	386.08704	386.08746	-0.1193892	386.087	34308	29254	33741	22599	31560	15025	8628	7790	25749	92028	53329	6420	46064	12406	8646	14441	11974	34295	38837	45602	63294	79006	9579	11299	7798	39575	5530	33337	4655	1852	5901	5892	12996	6139	93716	4787	14575	9183	14328	57399	71871	10563	1241	0	284	26496	50959	334	7107	4682	32148	33413	20865	323	33654	20821	13093	17558	7397	13452	13092	38773	42505	28589	14321	37931	13174	13916	48295	47450	82515	6271	3380	1564	6036	4604	0	7366	20201	68870	17096	36567	6854	29153	31182	18534	20042	19434	14124	25772	21866	27085	24252	91793	111198	0	29308	26707	22156	30735	27257	19107	6871	9820	25206	16083	16353	0	9594	40057	Phytochemical	0.42105263	0.7894737	0.05263158
10	C19 H15 O8 N1	386.08704	386.08755	-0.026348626	386.08704	9451	8835	10107	9970	8127	3842	1415	1743	14110	33278	26360	1579	19976	3427	2102	3197	2167	10535	11811	18470	27131	27498	4983	3730	1161	15398	2661	5606	0	0	2191	2756	2436	1934	42865	0	5480	2189	6234	19707	28156	3353	0	0	0	9486	19677	0	1838	0	8121	11550	6548	0	15054	13339	4884	4545	0	4449	0	14006	23582	10533	5010	16447	3621	3974	31894	24500	41971	1253	0	0	1505	2317	0	1725	8251	9079	5759	10579	1880	6270	12301	7168	5821	5754	5546	8691	0	4997	7592	23585	21300	0	7284	8167	10193	17093	15469	3592	997	3076	0	2678	9887	0	2242	16501	Phytochemical	0.42105263	0.7894737	0.05263158
22	C19 H15 O8 N1	386.08704	386.08746	-0.1188911	386.087	12677	10591	10753	9333	14853	8974	1935	3584	12265	27401	14260	2909	13399	0	4855	4974	3843	16496	19463	11870	24562	36223	8052	4352	5119	7559	1511	8398	1647	3875	2745	0	6948	2799	28242	3307	5668	3318	3528	16548	25193	7138	0	0	525	16198	27575	0	5055	2133	8534	6773	8392	433	12136	9925	4691	5278	3278	5779	1587	16774	18740	15099	5188	12654	9707	3340	14633	12624	19269	2032	1294	0	3318	1369	0	2030	11951	34145	7008	18869	0	11002	12708	9046	10128	7502	4902	13600	5284	7864	6862	48756	54049	0	8472	6279	9084	12638	13062	7115	1627	3809	14265	5005	7677	0	5467	21196	Phytochemical	0.42105263	0.7894737	0.05263158
24	C19 H15 O8 N1	386.08704	386.0874	-0.14037624	386.08698	5255	4063	5010	2424	5617	4929	0	1735	9155	20024	9126	2233	5842	2328	1998	3575	2497	10606	7905	3368	15743	19539	3841	2491	3249	4347	1241	4182	2028	1372	1615	1097	2168	1128	13684	0	2047	1212	2001	7393	18030	3952	0	0	0	5399	18239	0	1746	1534	5522	4001	5507	0	5103	6546	2191	4388	2069	3478	1732	10806	11893	9888	1621	5655	2586	0	6832	5302	7845	777	1008	0	0	0	0	0	5056	21845	4688	8063	2343	6304	7316	0	2237	3416	5598	6106	2096	4086	5201	28221	33108	0	4249	4878	4620	6021	6376	2230	1109	2340	9034	1869	4017	0	1849	11054	Phytochemical	0.42105263	0.7894737	0.05263158
16	C19 H15 O8 N1	386.08704	386.08752	-0.10260932	386.087	35666	28224	29974	30828	31923	15014	7803	9667	36126	93779	57518	5878	53264	14745	6853	10503	9222	37150	34992	45452	75756	92438	17605	16788	13296	42975	8341	33424	4545	4964	7425	3937	12432	6262	117713	3898	16820	9544	13195	62866	89053	16126	613	0	0	32430	56921	0	5569	10280	29766	25100	23178	0	28624	26112	11583	15141	7823	15809	15729	38273	54757	30767	12851	36662	18239	11362	63885	73397	104657	3462	4939	3180	5947	5799	0	5690	25292	75981	14600	34190	9559	37519	36656	14642	22680	14803	19195	0	14260	30622	0	95562	103745	0	27292	25906	20398	30960	35210	15690	7857	10666	22593	14292	21987	0	7265	48176	Phytochemical	0.42105263	0.7894737	0.05263158
14	C19 H15 O8 N1	386.08704	386.08755	-0.08282024	386.087	21853	30092	20578	21786	24699	13521	5352	7731	36586	84638	47848	4049	46582	12506	7460	10191	8826	29785	34307	40507	65777	83086	12178	9760	5335	43742	5226	28907	4758	4206	4815	0	9963	4706	106001	3982	8434	6932	9601	52943	78476	12099	0	0	0	27238	53203	0	8398	2489	24641	20392	18843	223	34738	27468	14041	10819	0	12508	0	39608	51602	32709	10809	30927	15197	10822	61542	70283	101102	2983	3177	1241	6012	4141	0	5060	22267	53767	13966	28804	5686	24817	29697	12250	20216	13306	12833	24326	12710	18142	22278	78524	79653	0	22559	20094	23756	36324	24445	8440	3594	9866	16056	9892	20983	0	6635	33153	Phytochemical	0.42105263	0.7894737	0.05263158
20	C19 H15 O8 N1	386.08704	386.08746	-0.14463624	386.08698	23370	19557	22155	13147	19497	12435	4991	4874	21555	53775	31854	4044	28196	7195	6171	13161	8627	26475	23104	26599	43690	67039	8488	7196	5909	22905	3020	14542	5136	2904	2360	3651	12036	2717	60184	4614	8441	6557	8959	36680	46456	9826	1045	0	302	24949	42686	0	5256	4450	22044	19155	17952	687	21048	16163	11171	8532	4228	11292	9403	22286	38191	23632	9544	30142	9729	9420	30965	30721	44001	5047	2460	1488	3225	2597	0	4195	12507	52286	11572	21238	7163	26195	21399	13257	10373	13439	11668	15667	12197	19754	12611	74911	71138	0	14679	16799	17758	20354	19684	10981	3431	7355	19750	9723	11754	0	10930	36433	Phytochemical	0.42105263	0.7894737	0.05263158
26	C19 H15 O8 N1	386.08704	386.0874	-0.14262144	386.08698	5140	3745	3950	0	3668	3716	0	0	5537	16180	6393	0	0	0	0	0	0	5878	4921	0	10582	18673	0	0	0	0	0	0	0	0	0	0	1790	0	17070	0	2056	0	2473	7321	14354	0	0	0	0	0	10971	0	0	0	6103	3367	3736	0	6437	0	0	0	0	0	0	6250	5615	5828	0	4744	3190	0	0	3740	7037	0	0	0	0	0	0	0	3784	15960	2999	4999	0	0	5958	0	3120	2764	2552	2876	1375	3310	0	20264	25635	0	4031	0	0	1872	0	0	0	0	0	1690	0	0	2717	5169	Phytochemical	0.42105263	0.7894737	0.05263158
8	C19 H15 O8 N1	386.08704	386.08762	-0.08900365	386.087	4275	2849	3563	3796	6769	2356	0	0	8639	14646	10677	911	13218	2064	1483	1415	996	5169	7872	5641	10377	12206	2314	1140	697	3542	0	3257	1397	0	961	0	1138	775	19001	0	1647	1374	1177	5062	10463	2320	0	0	0	2345	10179	0	0	0	5462	4341	3914	0	10978	6729	3153	1210	0	1370	0	4671	11290	7427	1762	7559	2844	1713	12018	9604	22696	960	0	0	0	0	0	966	2722	4503	3381	3938	890	1542	5744	0	3577	1955	2459	2919	0	0	5477	12137	10642	0	5158	3929	6837	8513	5393	1426	877	0	0	1721	4851	0	1173	8803	Phytochemical	0.42105263	0.7894737	0.05263158
14	C16 H19 O8 N1 S1	386.09042	386.09094	-0.029967684	386.0904	12965	9474	6540	11812	8547	10540	3012	4378	11672	35928	18825	2741	17352	3651	4133	8607	2920	15544	11798	15020	26289	37231	5895	9281	5415	13207	3491	8459	3616	2886	4616	0	6963	4173	37902	3264	6140	3873	4396	36009	26266	5600	0	0	0	11256	13024	0	4623	3323	11972	10952	6422	0	9813	5265	3616	9612	7159	13586	0	23684	10097	9708	2617	11166	7243	4293	17215	21728	16174	3855	3579	2464	3809	2273	0	3667	6709	21108	3175	12874	9915	18421	6310	7247	7500	8030	8399	8165	26684	35893	13506	26997	36969	0	11798	6370	6531	7717	7085	6633	2971	19217	0	8098	9970	0	4770	18334	Organosulfur	0.5	1.1875	0.0625
16	C16 H19 O8 N1 S1	386.09042	386.09088	-0.094954684	386.09036	9726	8933	5550	12009	9084	9405	4222	4659	10298	20220	11923	2471	15053	2864	3401	6832	5042	11652	13804	20704	21831	30758	2819	5640	5862	10891	4246	9558	5033	3835	3126	0	5997	4105	26585	2738	6914	3860	5199	29117	23408	6681	0	0	0	13293	10515	0	4440	2534	13752	9282	7232	0	7050	7084	3645	5800	14528	7014	0	20871	8569	10828	4171	9493	6747	2142	11437	21296	12027	1990	3183	1407	4885	1975	0	2153	6854	18993	2958	11588	5031	16043	5460	4451	7141	7525	6962	0	20280	27786	0	25266	33252	0	8242	7487	8271	6170	7585	10486	2660	8188	8084	0	7414	0	2736	13238	Organosulfur	0.5	1.1875	0.0625
14	C16 H19 O10 N1	386.1082	386.10867	-0.09979302	386.10812	81070	84746	84919	89888	117602	90022	34562	70709	153463	93351	89649	65770	259348	56108	83963	63744	80306	214150	184004	108091	191214	142329	102539	71187	29239	19910	37175	38096	60952	60181	54231	52842	95821	51783	126578	68832	90750	62348	63134	88144	134660	108593	5260	776	716	92250	129594	953	54052	64369	91755	78959	97277	807	245792	162275	72542	66825	85870	73991	60266	132715	218921	193202	67981	141520	93068	68543	172874	46076	81706	56852	46537	69043	60354	56133	531	58629	67244	115633	60567	68162	30135	25384	159061	81589	56440	87553	94307	63179	29739	55111	96648	124883	88625	1256	93404	111064	111069	117151	127568	97285	64064	84140	90567	76562	121226	524	28073	202389	Phytochemical	0.625	1.1875	0.0625
10	C16 H19 O10 N1	386.1082	386.1087	-0.07030691	386.10815	126823	117050	105573	98736	130131	88597	47589	88120	185549	184665	159946	90308	284385	54646	76098	85725	105799	226598	212729	166902	312132	188800	107837	98392	28703	22434	51047	52616	76821	64539	66135	66974	121258	62618	242546	75829	113449	65794	104186	147529	242162	114518	5351	0	475	97435	159983	0	75390	85460	112053	121868	107707	623	293139	178590	70260	80235	90239	109673	107734	137828	258321	243394	65852	167572	104941	105736	127011	53805	91208	72839	70680	71848	92875	63087	0	69059	78781	106295	70584	64462	34436	34389	175424	82738	66219	110423	99665	92716	44611	78539	108522	176665	154475	546	120502	139285	127165	140034	142113	130800	71334	109235	117967	88602	150096	0	29953	275990	Phytochemical	0.625	1.1875	0.0625
18	C16 H19 O10 N1	386.1082	386.1086	-0.09259164	386.10812	17989	20938	22059	22584	35196	27909	9872	25199	36543	15997	19225	25561	71319	14746	19897	19428	25440	56932	45772	23833	39306	18246	27997	14923	6225	5214	7177	4002	13147	16331	15830	11756	22182	14851	9568	13737	22190	16281	20276	12328	27469	27532	2570	577	648	19916	39945	1296	15077	14810	20638	18017	34071	610	55208	46641	22396	13417	15704	18776	18836	27748	55895	46629	23042	31473	25785	12099	38273	9914	26640	19641	13721	14347	23951	12016	782	20141	20155	16580	19229	22416	7157	8690	48525	29377	15211	24334	23355	12090	4475	8442	17411	19939	11573	863	25794	23380	36575	27980	33122	24190	17818	18599	18952	14080	41686	626	5739	49688	Phytochemical	0.625	1.1875	0.0625
6	C16 H19 O10 N1	386.1082	386.1088	-0.1279677	386.10812	28723	28751	23014	24331	28703	15172	6933	24214	42057	37493	38132	19024	61499	10673	13590	25671	28760	44699	52954	31259	65518	31957	24167	25342	4331	3650	8637	5656	14628	17434	17751	17581	25103	15865	40336	16478	23192	15739	30331	21524	43814	27790	0	0	0	17451	35147	0	23914	18383	24330	25938	22376	249	58582	51001	17936	18779	13563	27800	28000	23687	77920	51432	21707	40802	23295	32196	15728	7067	16252	16906	15940	15063	12561	14111	198	13681	14143	10334	10924	10446	8214	6175	48840	23710	15759	31210	25577	29740	4101	9949	30467	30062	29403	0	25349	25358	30892	43361	47349	33844	15883	21985	24584	23935	37501	0	7841	75827	Phytochemical	0.625	1.1875	0.0625
8	C16 H19 O10 N1	386.1082	386.10873	-0.11683738	386.10812	70927	77981	61136	84711	74113	43494	23340	54352	101616	114438	112622	53038	160099	25682	39648	55866	71600	122084	134493	108604	165212	113827	64432	61833	14797	11490	27947	31514	42753	41997	40331	51166	63735	46019	151005	43715	62056	36989	73567	83858	159380	75225	2236	365	307	56593	107246	0	53840	55377	77749	77927	66226	402	157507	112573	54763	53622	45085	76094	73269	87250	179387	148222	56790	96755	65068	75633	50282	19431	61093	44160	48204	37865	53929	40555	235	35212	48528	43895	40271	34828	21020	23052	111778	49800	42795	74421	71640	74511	20190	41782	75744	106563	94888	416	75684	87390	92252	96501	117031	79730	44888	67981	49983	52364	92344	0	22118	171499	Phytochemical	0.625	1.1875	0.0625
12	C16 H19 O10 N1	386.1082	386.1087	-0.09204697	386.10812	120963	125485	122269	126718	146052	98471	55588	101806	211721	161520	153670	89425	270289	55106	90405	85277	122239	271499	267195	187087	292362	194923	135800	84750	29762	27942	43017	61344	77726	68343	80584	70127	128429	70224	237748	80737	114847	81768	106491	139916	231361	119252	3873	756	488	126432	202349	682	74939	87454	116995	115280	122640	622	338018	186032	91618	77587	109301	128341	81785	188217	300726	238137	79685	180257	113607	106450	196241	56944	126186	69686	70849	77598	82617	63771	374	87705	83494	120409	76517	79961	35867	45193	180473	88591	76937	90689	112097	103962	41574	97414	131685	188498	122176	653	131221	160968	150853	128617	152732	140462	87652	91183	167721	96690	169091	480	41239	319711	Phytochemical	0.625	1.1875	0.0625
6	C15 H19 O9 N3	386.11942	386.12	-0.17433377	386.11932	20940	24641	18610	21143	20601	10970	8555	15345	26439	36320	24562	14841	37118	9239	14877	20146	23994	30640	41561	27127	43195	44808	21501	15469	4983	19676	6646	13239	8475	10151	11998	12585	20105	13304	42523	15576	19228	10453	26512	19936	35533	17356	0	0	0	16589	35747	0	16827	9257	24436	24325	15521	0	35852	20776	15915	20712	7788	18299	14545	16371	40438	31151	11063	31298	20219	30989	27685	30765	57253	13644	10530	10412	12067	10878	0	11705	16597	14619	10064	11658	5360	8980	26943	12015	16487	20915	22454	45481	3212	10920	35625	38056	43317	0	22707	20392	15528	20152	22982	25250	12984	14770	8280	24038	16783	0	9047	49756	Peptide	0.6	1.2666667	0.2
24	C20 H19 O7 N1	386.12344	386.1238	-0.12173141	386.12338	6003	6990	5542	7854	6478	4062	0	1669	8098	34669	17149	1673	3444	3661	1978	2201	3514	7390	9031	10492	19416	16303	4407	2187	2600	12731	1496	11245	2963	1642	1822	1084	4226	2936	28419	0	3010	1491	2167	19451	24424	3405	0	0	0	15142	24548	0	2222	2426	8236	7086	6206	0	4604	3777	3203	4272	3159	3672	2883	15518	7956	5299	2026	6026	3547	1876	26719	21364	37048	793	1239	0	1442	0	0	1836	5136	19101	4491	14883	2471	12340	6665	0	3496	4702	2805	3846	4663	6509	3713	26491	31640	0	7553	7765	4023	3591	6223	2123	2080	3355	11628	4263	3521	0	2274	8792	Phytochemical	0.35	0.95	0.05
18	C20 H19 O7 N1	386.12344	386.12384	-0.10434616	386.12338	62415	65488	58956	59598	62965	40762	17786	24832	49950	241802	148961	17289	54210	31798	22859	30638	19831	64584	61591	143415	180566	139562	25398	31318	24052	176420	17190	112940	20125	16561	16792	20769	34612	18207	246868	17142	35869	20024	21700	139538	140888	27951	2135	331	0	92174	99789	0	24240	15887	66394	64516	44091	0	47648	39490	26293	38116	26522	25636	34033	95865	67127	46200	23354	53457	31763	30357	192305	247493	278317	25057	9501	9989	16342	15400	0	13651	41953	110012	27103	76233	23544	88985	57038	33654	36340	28520	32101	45237	62878	66981	50657	125744	189001	651	62898	57310	41252	45763	42886	34654	14768	30509	50562	30835	31342	496	23008	66166	Phytochemical	0.35	0.95	0.05
22	C20 H19 O7 N1	386.12344	386.1238	-0.13935241	386.12338	19039	16393	20911	20635	14846	10963	4069	5459	16885	67456	55302	3637	9905	12761	4773	7819	5938	19141	19095	42452	57371	48452	8951	8146	5314	41568	2751	42235	4559	2326	5915	3625	6662	3207	78244	4921	9995	3641	6920	49497	59870	6881	0	0	0	33034	59516	0	7669	4686	20754	17441	11369	290	18955	11250	8815	8624	7940	9544	9298	39332	16927	16983	6339	17785	10015	6469	52432	61289	91906	4682	3207	1329	3438	3862	0	2413	13019	48032	7934	29621	4951	30563	16234	9706	9721	9856	9896	9945	16781	20505	10806	52502	72503	0	18844	13583	13313	15526	13960	10465	4501	11522	26563	6384	9427	0	6812	21199	Phytochemical	0.35	0.95	0.05
8	C20 H19 O7 N1	386.12344	386.124	-0.14670327	386.12338	19511	16504	14629	15665	13903	7839	6148	4835	16137	69449	43767	6345	22731	8983	6168	10279	7520	16693	19541	52318	65546	34292	9060	9343	5443	47019	5474	25529	5817	4401	5231	6860	9110	5571	77025	4967	12020	6545	8621	39554	50197	6037	0	0	0	27282	32176	0	5246	5821	17244	15860	9524	0	15715	14599	6800	7933	5180	9386	7549	23656	23641	12141	5124	15411	9443	10582	73636	82295	123330	5673	4775	2851	4211	4734	0	4673	9893	20014	9241	17651	7826	20788	16999	5968	12535	7579	7059	15122	0	14472	15694	35767	50387	0	17788	18021	15466	16497	14754	6895	3088	9215	8735	8975	14084	0	5607	19450	Phytochemical	0.35	0.95	0.05
14	C20 H19 O7 N1	386.12344	386.12393	-0.10800323	386.12338	58686	51132	48984	46545	42991	24978	13228	22590	43015	172263	122156	13994	57985	33023	18422	31695	20627	47813	48469	135191	174739	88722	23648	23656	22272	174636	16576	87179	18611	14323	18197	16153	33594	20165	210550	14891	29150	18669	29187	113158	143473	24523	0	0	0	70246	93367	0	23386	19390	55516	47902	31741	0	44754	32323	21321	35035	17046	25757	32887	81813	59155	41046	17193	41152	28989	26477	177514	263290	281850	17011	15342	11716	19445	19169	0	16035	30383	92581	24333	55675	23905	82191	38900	21404	39613	22297	25784	60750	54225	53613	40238	116052	125502	0	51757	50067	30101	36395	33222	24891	14414	34136	40803	28823	23594	0	22345	56490	Phytochemical	0.35	0.95	0.05
18	C17 H23 O7 N1 S1	386.1268	386.12726	-0.032256797	386.1268	16565	10376	13518	15239	7933	6917	5923	7755	8061	33820	13948	3313	14926	5907	8087	10949	5585	12781	12002	34189	31531	32336	9579	10382	8121	27105	3759	15525	5397	5150	5944	8168	16871	6682	38086	6146	10180	5486	8334	44981	25814	7532	307	0	0	23074	11828	0	6999	6513	17687	12387	8017	0	8067	10326	5007	13659	18969	10303	6096	28865	6752	5349	6398	9615	8371	4653	25961	28446	22116	6347	5116	6121	7033	0	0	4666	6783	19307	4646	14807	13959	25649	5103	7037	8797	10219	7228	10275	42596	57546	19960	20631	44880	0	16966	12685	5783	7990	10374	9261	4636	16540	14714	10898	10481	0	7055	10248	Organosulfur	0.4117647	1.3529412	0.05882353
8	C17 H23 O9 N1	386.14456	386.1451	-0.14243375	386.1445	154496	166984	128054	160702	95862	79947	89523	198666	132316	215726	142718	124168	187060	51094	297180	178596	157611	184511	212713	282604	302011	412704	169712	218593	71509	108663	91991	79301	160547	157205	128903	162570	165035	135965	284670	175432	174127	117642	301310	191181	227498	124989	3481	580	641	208011	232231	386	154219	182513	162309	164166	98725	999	239185	137662	83650	138176	174966	165515	216282	155768	186723	172775	77983	124800	101674	149219	197752	148492	189348	167526	153641	168649	118503	151202	386	114178	134758	102417	116012	114490	103152	91100	163522	97378	113754	93122	121300	151501	87256	147773	198129	123982	174471	1140	150679	197037	109824	110984	136738	184713	105757	238228	118336	141051	129017	329	83682	190006	Lipid	0.5294118	1.3529412	0.05882353
28	C17 H23 O9 N1	386.14456	386.14496	-0.15017004	386.1445	8341	5983	8281	7566	6831	6141	3416	9488	6793	16336	7374	6019	9735	3315	6912	7207	6903	11260	10336	17924	21554	4859	9654	9960	3136	13284	2217	6486	8092	8782	5012	7658	9025	8596	14346	9832	6418	4918	6074	11797	7582	5687	1489	1387	0	6813	8803	0	9260	8572	6103	7563	6498	0	7867	4795	4255	7645	6294	4985	7957	7719	7894	6645	4707	6603	4093	4073	17081	20929	22138	8375	7683	9967	8316	6138	0	6395	6560	3482	4486	5067	5672	8396	6665	3823	4831	4622	5951	4997	3391	7079	7472	2719	5929	1373	9064	9064	5170	4755	4014	8181	5535	9798	5805	5610	7000	0	4941	8950	Lipid	0.5294118	1.3529412	0.05882353
20	C17 H23 O9 N1	386.14456	386.14493	-0.17646374	386.1445	128606	129120	133764	110966	127458	108234	70426	158584	142064	135718	77952	108992	204272	64500	121088	130048	115912	189038	190040	176524	215900	94536	143918	179448	70494	211725	61588	65924	148832	135038	107446	115144	122736	122096	112248	115976	135340	89294	95644	167078	146624	108640	13182	6144	3902	142456	218126	4554	113740	151714	137896	122278	106026	4254	193486	136724	89326	110252	86538	90320	0	138298	149170	175988	81026	130520	94784	84734	243971	220334	285350	122298	133264	150322	127566	115854	3650	113494	129240	76250	127444	74408	88048	103320	217824	100654	105360	99890	95754	73146	57030	73234	154272	80296	85500	3644	127456	150378	125558	113280	138144	130512	91276	145418	106472	117236	135004	5368	80142	193968	Lipid	0.5294118	1.3529412	0.05882353
2	C17 H23 O9 N1	386.14456	386.1452	-0.20244864	386.14447	14226	12806	12300	12550	16588	0	6428	17077	37772	15346	13606	12660	74624	6786	8538	3032	12488	23394	22466	12614	25642	22552	12210	12248	2652	3322	0	4688	19614	10976	16104	14724	28862	13474	25004	14032	17918	7972	10110	15626	18606	15316	0	0	0	8362	11338	0	17508	11094	13404	14580	15278	0	20738	12082	6516	15606	9084	9166	6410	8248	65904	48632	8568	24926	17572	15219	6340	7798	7836	15608	19727	10282	0	13906	578	9419	9231	5338	7217	5966	4956	4028	16530	6084	8848	14901	19444	10296	10664	12276	23940	10028	1898	0	15940	14588	10214	18274	15202	14516	10904	11988	8102	19556	12224	0	6084	70544	Lipid	0.5294118	1.3529412	0.05882353
4	C17 H23 O9 N1	386.14456	386.14523	-0.17409016	386.1445	15839	18872	15638	14724	12490	8395	6565	17316	16404	15691	11805	10398	49048	5907	10225	15492	14786	20876	45858	16515	23581	23832	11953	15547	5475	6665	7004	4000	10852	13075	13351	11841	16635	11151	26350	14026	16163	10834	18780	17492	18842	14382	0	0	415	15009	18427	0	12178	13815	15253	12567	12529	682	42506	16962	8044	13762	13854	13859	15247	11437	56836	39904	8848	15734	10546	17914	13193	7912	10946	12146	10747	14605	4951	10493	337	9589	8166	4332	8486	8252	7724	5636	19399	10528	8173	11023	13945	25992	9790	10300	40972	10537	11730	0	13568	19854	12565	18263	16857	15375	8521	20720	13179	13922	13612	0	6860	25598	Lipid	0.5294118	1.3529412	0.05882353
14	C17 H23 O9 N1	386.14456	386.14505	-0.09892566	386.14453	556602	567361	525546	571853	495988	457100	362443	722940	786771	899526	482008	328913	1048625	267194	615236	561340	437399	1081299	942666	1282506	1449154	721361	622851	660209	412578	862441	298292	434991	673806	616576	494344	560490	737085	468169	1384635	665046	598087	471069	366939	934883	583493	535299	21608	2607	2155	773093	681312	1336	493774	606545	532000	491341	496215	3591	1304848	618480	321134	510840	747699	372444	705628	747261	815516	800302	301396	604943	443328	309047	1152568	1139574	891751	545520	526029	682159	417956	496425	1333	433228	435322	456916	461558	442937	354800	380304	665271	440274	388734	370013	434521	310647	411011	584896	685763	431548	642891	6110	574907	755645	480705	406628	504685	704035	395369	775503	574979	456280	551664	2978	287832	806003	Lipid	0.5294118	1.3529412	0.05882353
10	C17 H23 O9 N1	386.14456	386.14508	-0.10467837	386.14453	369718	332667	310034	311073	249666	201661	208456	448435	339764	556927	312611	262850	469824	119572	317931	383873	289582	517984	507820	694279	719256	444103	385831	455113	196165	374739	209940	185704	392008	390701	312470	331692	419853	311671	665426	389399	397721	255103	296955	471856	446389	281558	13265	1450	1406	409091	429362	1045	330639	403988	349787	359290	241421	2512	559492	313000	161961	362050	406837	312741	460115	351817	342062	381135	148158	294557	234033	286625	537001	422727	463999	352387	331065	377661	273179	313882	636	252113	286015	189585	272464	268885	246704	202427	361092	236196	225635	212850	242626	242883	175196	299452	458691	278561	392378	3129	330006	441060	241795	212656	278436	441824	262140	482363	296075	300798	293167	957	177142	420399	Lipid	0.5294118	1.3529412	0.05882353
12	C17 H23 O9 N1	386.14456	386.14508	-0.10406341	386.14453	464313	468056	515438	455714	420444	359477	366172	738094	625748	845070	475492	345007	692065	202398	518953	466758	461377	932548	947992	1198586	1351189	712822	645337	565275	330984	691496	233215	405578	694010	502222	546777	467558	697560	482366	1308702	572161	565094	437313	408674	874906	606109	449765	15033	1949	1251	688892	595206	1188	452701	557708	469270	456128	437670	3439	1108430	518353	299662	464800	685808	462454	567972	680810	745946	676708	228000	534892	385948	392067	1125320	930505	884122	470107	505781	560784	348904	422098	919	432626	410245	358364	436480	439526	383822	388392	540523	387516	362269	308223	415807	374564	322766	574436	632018	417501	485262	5187	508734	684422	464865	350420	423573	619105	384808	599268	449763	451780	527683	1434	281548	840968	Lipid	0.5294118	1.3529412	0.05882353
12	C16 H23 O8 N3	386.1558	386.15622	-0.2861173	386.15567	8780	7085	6905	8170	4715	6020	6489	10657	3329	4363	3051	7350	5898	3471	11923	10785	11619	10612	12256	6948	5126	14814	14327	10740	8725	0	3530	0	11227	8497	10919	8757	14767	7189	8623	13100	11290	10155	10630	5363	0	5324	0	0	0	5948	0	0	8811	9197	12638	8925	4166	0	7911	2283	3932	12915	16061	0	0	3135	5098	4976	4108	7504	6855	13995	0	2717	0	9182	7352	10849	7576	9173	0	10509	6112	0	9014	4039	6603	2026	3751	4704	7680	7107	8387	24829	8536	15025	26485	3589	4205	0	7860	9101	2153	1613	3939	11386	7363	5907	0	15565	3572	0	8076	8749	Peptide	0.5	1.4375	0.1875
2	C16 H23 O8 N3	386.1558	386.15643	-0.2128869	386.1557	14486	12503	13768	15066	11177	0	8339	16070	13122	5986	6491	13018	22787	5564	10706	3242	17703	17546	17364	6612	11372	19280	14124	12608	4249	708	0	4972	15694	8860	16546	15211	26690	14916	11546	11617	18187	9226	18422	6713	9277	12641	0	0	0	6637	6656	0	13986	8419	13946	14491	13838	0	17860	8150	7471	17902	7909	9523	5985	4070	29239	17581	8036	21818	17139	23989	1395	2722	2466	14417	11220	10585	1148	11762	0	9915	12324	4281	8727	3511	4290	2119	10669	8139	12433	15179	16120	37178	17865	17343	35489	7373	2045	0	15223	15283	7152	10840	9246	14444	10456	8967	4909	20124	8951	0	8189	27974	Peptide	0.5	1.4375	0.1875
4	C16 H23 O8 N3	386.1558	386.1564	-0.23037536	386.1557	14219	15283	12896	11622	8917	8401	5685	14666	14406	8971	6103	10962	21234	3939	11489	15717	17667	14861	17758	9042	10998	24130	15498	14398	6810	774	5748	0	11701	8074	11607	12778	17184	9364	13644	11943	15896	11741	25731	9111	9080	10529	0	0	0	9057	10908	0	11023	11958	12088	12392	10041	0	19543	10662	8023	15051	14594	11232	15393	8091	21978	16577	9564	18280	9956	20866	1846	3305	1996	10497	9242	10677	4618	8549	0	8275	11011	6209	8928	5976	6131	2706	12412	8450	11090	10975	12463	24039	13810	18030	30967	6507	7453	0	12787	16560	7606	12090	9542	17253	9528	15729	7290	16005	8635	0	7150	24325	Peptide	0.5	1.4375	0.1875
6	C16 H23 O8 N3	386.1558	386.15637	-0.18813328	386.15573	30008	30260	27305	27955	13486	12855	17754	36504	21886	21229	12836	22357	24106	6914	25634	35436	29953	30331	41992	20275	27946	44199	29035	44263	14723	1580	17001	9649	30390	27006	30968	36361	42672	29141	33904	29633	42531	25996	37902	15113	21636	20147	0	0	0	25555	26541	0	33361	30224	29751	32718	18342	0	33048	11920	12448	39506	28459	21853	38406	14617	35565	27487	12434	27627	24367	43393	2568	6289	5094	29431	26622	25275	17359	24733	0	22174	23052	10491	19371	12118	14140	5090	17361	16318	20502	26386	23425	50727	21942	46317	64630	16230	17007	0	29030	28303	9201	11716	13232	38553	21228	34716	12250	42229	12803	0	15367	35393	Peptide	0.5	1.4375	0.1875
8	C16 H23 O8 N3	386.1558	386.1563	-0.22391935	386.1557	27933	32023	22693	26129	11710	13165	15791	35851	19705	16521	9999	20697	25864	7731	29319	37688	27438	28544	25998	21639	20998	39531	32326	35056	19797	1199	16845	6249	30584	26875	26843	30681	38646	24861	26105	29230	40636	26152	29329	17477	17879	18893	0	0	0	19476	17574	0	29103	30981	25205	24214	17263	0	30297	10991	11578	33018	30728	18685	35566	19305	23220	21547	10342	22330	17466	28748	0	4146	5388	27235	27121	21923	18541	21937	0	21254	27321	17336	18311	11278	13575	5915	13247	11687	27472	20348	21415	41670	25920	44660	68769	17886	15448	0	26306	30389	12706	9781	9465	36206	23398	26706	10825	35985	14420	0	17781	29417	Peptide	0.5	1.4375	0.1875
4	C21 H23 O6 N1	386.15982	386.16046	-0.19009641	386.15973	6177	4881	4731	5184	3177	3182	1939	4147	2930	10620	5666	2034	2688	3542	2445	4675	4156	4223	5471	12250	16045	5165	4153	4586	2427	21009	2091	4730	3450	3328	2435	2949	5230	2193	14468	4496	4780	2845	4973	6855	9392	2765	0	0	0	7692	11315	0	3692	3761	5139	4470	2159	0	3217	2301	1393	3605	493	1686	4085	6312	3422	3565	1489	3002	2246	5052	17839	17855	25782	3660	3657	3754	3283	2134	0	2768	3892	5161	3735	4378	2241	7524	2714	2283	3221	2489	2643	4120	4342	3406	5743	5392	9768	0	4563	6144	4254	2760	2371	3902	3480	4873	5433	3856	2595	0	2762	2988	Phytochemical	0.2857143	1.0952381	0.04761905
24	C21 H23 O6 N1	386.15982	386.1602	-0.16007899	386.15976	12861	12136	10722	12134	11483	7833	2475	7738	6536	31166	28261	5005	10689	5966	5670	12100	6452	10478	9263	31260	29093	19261	7590	11826	4703	33255	3207	31469	5746	6156	5046	7318	9417	8987	45258	4701	8180	3669	4238	26688	33381	6697	0	0	0	18217	21256	0	8237	4579	14125	14947	12463	0	9283	5078	4233	7974	4999	5061	7648	21817	11378	6141	3252	10212	5716	10330	42452	39763	49337	7113	3562	4064	5052	4651	0	4583	6770	18058	7555	11893	5289	17882	8148	6242	8805	6463	7952	12833	5248	11966	21113	19753	27336	0	12531	11002	7409	8376	6212	8073	4663	10692	11901	5032	6564	0	6452	11417	Phytochemical	0.2857143	1.0952381	0.04761905
26	C21 H23 O6 N1	386.15982	386.16	-0.20753002	386.15973	3736	3479	2585	3738	2445	4277	0	0	3783	10165	6773	0	0	2007	0	0	0	0	0	0	11832	6715	0	6005	0	8100	0	7968	0	0	0	0	3587	2601	8928	5141	1809	0	0	6821	9576	0	0	0	0	0	0	0	2965	0	3708	2211	4024	0	0	0	0	3640	0	0	0	3155	0	0	0	3106	2157	2423	14238	11499	22729	0	0	0	0	2446	0	0	2001	0	2611	3704	0	2555	0	0	3074	0	2344	6032	1754	3012	7871	4297	6460	0	3194	0	3584	1952	0	0	0	0	0	2841	0	0	0	4048	Phytochemical	0.2857143	1.0952381	0.04761905
16	C21 H23 O6 N1	386.15982	386.16025	-0.20639358	386.15973	55739	70545	60653	61460	41548	33739	30047	48830	43156	172206	113936	30959	37446	28914	30192	59089	48810	57095	61157	181627	205040	100394	36068	55287	36371	234799	27696	107349	34649	35557	35380	35695	52934	32590	188146	36616	50862	28138	47296	148486	153114	36600	923	0	0	75840	95091	0	45091	38717	74096	75070	39931	291	30499	27524	20421	54486	31063	47702	46676	82507	58419	31928	24527	35352	40986	46133	206752	296221	338735	39610	38860	35672	37596	38649	0	24294	44301	79001	35058	52278	39315	93428	36289	27229	46285	42183	29675	87594	69986	73959	86759	77236	122578	504	76842	66092	32166	30161	33465	48883	26378	55092	44145	57395	36127	0	43585	54003	Phytochemical	0.2857143	1.0952381	0.04761905
8	C21 H23 O6 N1	386.15982	386.16034	-0.24829337	386.15973	24272	28673	20532	29209	16388	11876	10949	18789	14961	79261	44910	10719	17083	12130	10952	19242	15470	15626	23044	91150	104493	32475	12843	21736	9131	84127	10648	45442	11662	14226	10676	16187	16782	15145	96920	14389	16563	11374	18501	61653	55376	11533	0	0	0	36831	46719	0	17441	16171	23149	25916	11836	0	15913	10673	7217	15566	4477	11904	16623	31767	17205	14957	6245	17067	11138	18025	75266	132085	142597	15777	14166	12797	11235	12307	0	8818	15643	25162	12204	14939	6968	38124	12263	7258	13612	8879	12651	22433	21047	18461	28694	38209	67153	0	24625	26033	13413	11595	11738	17363	7789	15519	13975	14709	8513	0	11972	15074	Phytochemical	0.2857143	1.0952381	0.04761905
22	C21 H23 O6 N1	386.15982	386.16022	-0.16260722	386.15976	32823	34982	33728	42445	28519	24336	16392	18624	24371	89382	78445	11701	18595	23154	18083	22335	18123	31254	29602	78683	92597	48283	18192	28993	19480	118488	9582	74695	21751	13712	17142	22595	31378	18721	80801	17610	25922	9810	17700	85385	92838	23506	0	0	314	42674	57128	0	22010	13194	38743	35540	27534	629	19401	21181	12287	22947	17782	21808	22811	53135	25327	26185	10916	32311	21039	19449	119128	122225	173126	17388	9856	13578	10366	15399	0	13057	23588	44950	16229	33963	18269	54352	22514	13553	25390	25503	17805	30699	30973	35932	32943	62281	63322	0	26797	33220	23762	21406	18836	24659	12125	29816	36287	28233	22669	0	22074	20191	Phytochemical	0.2857143	1.0952381	0.04761905
12	C21 H23 O6 N1	386.15982	386.16028	-0.27008653	386.1597	30663	38250	42052	36221	24847	17213	17396	28729	20600	114319	70929	16928	20054	17670	16254	31040	25381	23908	32380	132288	150143	59641	20169	25133	21675	141770	13549	53849	28084	19560	19766	19636	29326	17341	143944	20782	24983	16728	36724	85131	94215	18971	452	0	299	57162	63882	0	28987	23279	41887	36151	24347	0	25402	16481	14931	25192	14958	23886	26404	50568	31144	16024	8243	22402	18335	36930	136064	211459	221046	21940	22159	16336	20351	20840	0	13571	25359	33731	17849	26384	16548	55927	21839	13265	30803	13359	16467	56151	32313	35621	42175	49029	57689	506	32362	37812	21908	14515	13366	19051	16210	30724	28491	29649	15415	0	24255	24432	Phytochemical	0.2857143	1.0952381	0.04761905
20	C21 H23 O6 N1	386.15982	386.1602	-0.1704219	386.15976	61616	69085	65425	62374	44536	37377	23333	35150	48552	186501	117813	28674	44232	32101	22119	44329	38566	43415	57666	163421	170893	98753	32176	52282	29248	215964	25410	123955	37482	38060	28839	34703	53826	30969	183161	32356	51419	21797	34928	154916	152128	33621	1714	599	0	84259	91206	690	43305	31682	65693	57816	42194	432	46700	29387	24553	45997	32109	36014	48050	90340	50742	28625	21622	49464	40544	44741	202402	265335	272114	35025	31577	23222	33304	32291	0	27580	47015	79502	32005	50351	34729	106100	41079	30191	45308	40555	33763	64207	84357	67709	86160	100475	106763	0	64297	59228	37334	35362	36229	45635	20572	60130	52155	50518	32947	0	33543	54786	Phytochemical	0.2857143	1.0952381	0.04761905
12	C14 H27 O11 N1	386.16568	386.1661	-0.2537459	386.1656	15993	13405	17245	12805	35256	12630	12423	22136	15332	0	4887	10288	15997	34013	17767	15716	8836	13798	15468	16660	16166	24246	0	17101	15633	0	9008	0	16316	14985	19903	18768	22475	18543	18438	19684	24435	0	11070	14945	7792	16397	1096	1362	725	15038	8278	1203	20117	19253	11042	0	23305	1112	16158	11777	15624	22930	29584	9721	0	0	11450	12026	14299	23226	26391	9953	0	5736	3360	18513	15556	19535	8703	16422	560	14969	13173	0	12876	8585	14550	5533	11070	10597	14135	2765	9567	17297	16800	32585	34313	6259	12143	1034	16542	20308	12218	8913	8437	21194	12910	18616	0	22717	29612	1599	11641	14176	A-Sugar	0.78571427	1.9285715	0.071428575
14	C23 H24 O3 N1 Na1	386.17267	386.17325	0.13905817	386.17273	69804	77904	41132	75744	23836	34968	99340	80229	27772	44860	49304	48372	21180	33056	60024	105844	99776	36984	57056	80452	71668	99256	68412	109712	82380	66704	57332	44848	87938	29713	72383	0	87916	56152	65288	78269	92840	57896	119492	93836	93256	33244	0	0	0	64092	92112	0	91985	72228	77004	62656	31152	0	38412	11764	32948	130242	59032	95896	0	49752	23192	22880	23120	38044	41764	139296	0	87268	83608	63504	50908	20457	84884	83493	0	50484	75700	0	66780	55156	74024	55316	26160	19988	97564	48196	45925	203804	133976	82336	154736	59900	101772	0	75736	62664	23800	16488	17104	76318	68448	98792	0	81332	23868	0	88756	16876	Phytochemical	0.13043478	1.0434783	0.04347826
12	C23 H24 O3 N1 Na1	386.17267	386.1734	-0.09292804	386.17264	65460	58068	60528	59712	26391	27114	46515	93237	24675	59868	39786	47427	25138	16641	53256	66746	88398	34146	58983	107727	77895	104196	54930	97665	68403	60549	39747	29832	69411	93245	75551	57906	72219	71164	85827	50937	70128	52515	90354	118341	114156	35880	0	0	0	89544	81465	0	81525	74595	75603	45369	32121	0	28701	36306	28680	81477	39093	72234	72588	63420	11136	26163	21348	37818	28416	93378	0	95919	116517	76809	50838	61406	92695	51072	0	50049	82020	0	77775	53400	61935	74139	13686	23424	92163	40218	36435	197457	77394	68802	138554	65274	63771	0	56565	57621	21693	21426	22008	78948	34278	77058	0	89025	17685	0	70074	22506	Phytochemical	0.13043478	1.0434783	0.04347826
28	C18 H27 O8 N1	386.18094	386.18134	-0.17439981	386.18088	6791	6671	5849	5496	5556	5010	2977	8082	3783	11245	3645	3642	10122	2807	5845	8800	8177	7082	6911	16880	14506	2777	6642	8775	3915	12853	4028	6488	5339	6006	5189	5971	6410	7087	9054	9235	5065	4213	5620	7000	7983	3996	0	1392	0	4396	5908	0	8841	6437	5455	5330	4353	0	6327	4031	3580	6836	3247	4806	8855	4256	5307	2711	2221	5802	2889	5277	12231	20797	15746	7219	7672	9385	6415	6990	0	3030	4225	2497	3260	4110	5940	5515	6083	3454	3715	2629	3424	3021	7198	5030	7046	1612	3952	0	8093	7363	3297	2933	3651	7299	4319	3872	3860	4639	2643	0	4114	6752	Lipid	0.44444445	1.5	0.055555556
22	C18 H27 O8 N1	386.18094	386.1813	-0.18488547	386.18088	66231	68711	73529	75570	63483	56348	35126	94608	72636	84282	56422	57338	94251	31564	66147	82142	60880	99366	82104	108301	113027	70093	81651	93944	43179	104888	27638	36980	78495	64601	65239	70491	76847	67439	76511	80689	79403	57789	57036	73757	81926	48371	3149	0	1845	69819	90430	0	65435	76877	69784	76575	66866	1258	107648	77530	41161	72871	46989	51018	73454	64799	87636	87971	34793	0	44711	45582	110678	132405	136827	73628	72053	76761	57448	0	1206	58230	74650	37312	65931	40928	41771	55772	95163	43980	60020	39669	49580	49342	45164	49039	73496	40479	68763	0	69530	83194	51452	73595	66468	79448	48361	72273	41310	65142	59310	0	48259	115339	Lipid	0.44444445	1.5	0.055555556
26	C18 H27 O8 N1	386.18094	386.18134	-0.15949415	386.18088	8309	7731	7989	9138	5118	4953	2312	7335	6382	12701	3171	7489	15331	2353	8071	9448	5816	15759	12837	16326	15174	5340	7190	12575	0	9810	1792	3038	8415	10425	7236	8003	5719	9160	10136	8630	10864	6327	8026	9069	12327	0	0	0	0	6577	9356	0	8028	11458	9993	9083	4846	0	11220	5544	3862	8927	3775	4614	10730	5685	10738	8168	2372	10915	3906	5460	11058	23253	21095	10427	11248	9906	9574	7174	0	6308	5781	0	6535	0	5759	5213	7581	0	4690	5900	5177	4617	4350	6008	8653	2971	4938	0	7930	10076	4699	7225	6228	9801	5532	7034	0	6864	5826	0	2963	8392	Lipid	0.44444445	1.5	0.055555556
18	C18 H27 O8 N1	386.18094	386.18134	-0.17418203	386.18088	600997	568533	606259	564060	495313	441537	337425	804967	513144	765139	418409	406531	839139	260024	574482	698440	420257	913558	947147	1098296	979054	492499	678526	813676	411182	847868	308419	361910	768832	689536	585800	612361	689981	676038	737433	735065	717418	435915	402268	709363	492898	515001	18433	2552	2089	628165	481026	2601	653511	681525	590153	568567	484445	4002	985941	565350	336404	608864	490528	369532	696509	505401	645812	615144	259291	561208	452486	392267	768518	1079038	813120	627402	597047	740052	504288	571429	1705	456606	545906	308074	460125	328989	397727	403537	566041	428178	421753	395238	448061	312202	512755	636691	733886	299855	550772	5591	586259	694258	405029	397265	478211	743773	392366	765944	295438	481491	415397	3342	375222	673215	Lipid	0.44444445	1.5	0.055555556
16	C18 H27 O8 N1	386.18094	386.18137	-0.16978212	386.18088	745338	732333	782985	776931	633847	548038	486708	1087694	727498	959078	554463	572523	1063480	328387	837605	1004659	685829	1201900	1292250	1508478	1418781	682205	976264	1187212	651534	1242189	423019	471582	1007977	950332	779372	837920	922772	783173	1049229	1042566	901425	603988	589058	940166	665238	682030	19432	4147	2990	863712	742793	2770	906134	1029049	753213	735166	655563	5026	1214439	732871	448214	841526	684394	541400	980204	599656	837294	795410	330402	753578	585629	538633	1057241	1533580	1049469	951254	875797	1060201	728399	843565	1216	599352	700268	458740	607519	476833	605264	514366	801949	522037	637545	536371	608712	577643	598369	760895	1234959	394807	762511	7760	773584	944800	518312	515567	648041	1090524	534384	963112	413983	790679	645631	3151	542810	918206	Lipid	0.44444445	1.5	0.055555556
20	C18 H27 O8 N1	386.18094	386.18134	-0.17517468	386.18088	250747	253448	268286	223437	275191	198771	135568	326192	244534	352816	164333	183841	348499	128413	239776	294537	184102	355383	377702	432954	427841	222205	278582	354852	164758	361325	138592	144703	304137	284392	226913	245497	263347	257089	334586	274019	297701	177071	173470	307752	224987	204773	8775	2484	1521	263528	250497	2284	251738	280194	257698	239991	221102	2931	409550	256817	153041	252700	188928	162971	282933	200352	300264	286182	110996	241228	171629	183300	308769	417593	377501	268988	271763	303271	219335	244782	1766	199157	235351	142342	202882	138462	167724	191740	266271	155476	200680	173774	187045	145834	203141	224278	296197	155095	197438	2784	258707	301604	183049	190764	220035	294201	183991	314580	160756	219708	199860	3358	168012	367334	Lipid	0.44444445	1.5	0.055555556
8	C17 H27 O7 N3	386.19217	386.19266	-0.24340612	386.19208	17761	18330	20584	20018	5317	8125	9121	19620	10986	6163	5563	8795	17737	4421	18928	20111	10613	13780	14670	9765	8784	21710	23727	24446	17147	881	10078	19414	17900	13800	17990	19700	23189	15767	17939	15013	23658	20784	13454	10771	4038	9479	0	0	0	12434	3662	0	20757	11226	17757	20374	8515	0	16556	4987	6718	23482	10085	3071	25218	5012	12099	10490	3516	15204	8584	14735	0	6292	0	15351	14680	11401	10424	14985	0	12292	15536	10674	10543	5225	9770	3651	6964	6783	18938	8396	10164	26393	166455	116120	43621	8745	11233	0	18298	18765	6145	8295	6135	18244	10486	16442	0	21435	6789	0	14039	20507	Peptide	0.4117647	1.5882353	0.1764706
10	C17 H27 O7 N3	386.19217	386.19263	-0.2019208	386.1921	12630	11262	16746	12207	4977	8307	8920	18249	4967	4000	4030	6425	11848	2829	10761	14991	7172	6608	12194	7407	3850	12919	11530	14154	15910	0	8894	7411	13737	11259	10511	14234	17810	11667	10756	14054	15253	11794	9464	5499	3715	5190	0	0	0	6025	4913	0	14635	7165	11277	12395	6288	0	10803	4756	4327	17301	6155	4259	19174	2109	9630	7260	4078	11198	5651	9996	0	0	0	11694	10378	11330	6820	9930	0	8564	13189	6297	7813	3645	5420	3306	8576	4881	15550	7595	7425	17535	89827	52232	31539	4629	3131	0	16102	15093	2398	6871	4743	13421	9277	10018	0	15106	8315	0	12539	11697	Peptide	0.4117647	1.5882353	0.1764706
14	C17 H27 O7 N3	386.19217	386.19257	-0.21863472	386.19208	8014	4936	4726	3759	1228	2356	2743	5562	0	0	0	3601	1344	1539	5178	6210	0	3090	2430	0	0	0	3238	5233	7833	0	2241	0	6218	5347	4555	0	5933	5405	2796	5247	6606	3141	7318	0	0	3114	0	0	0	4012	0	0	6037	3591	2590	2940	2617	0	0	0	1522	6877	0	0	0	0	1545	0	0	4257	1159	2413	0	0	0	4857	3849	3624	3160	5555	0	2510	1929	0	3564	1081	0	0	1125	0	4518	2717	1602	5339	27542	19163	12727	0	0	0	2559	3306	1632	0	0	5500	2067	4647	0	8608	1287	0	5200	0	Peptide	0.4117647	1.5882353	0.1764706
6	C17 H27 O7 N3	386.19217	386.19272	-0.25517505	386.19208	22013	19870	22440	20672	9123	9332	10420	25774	12948	12126	8701	8650	18623	5048	29890	27061	11687	17516	19593	12660	7316	23570	16850	29054	17932	1313	12470	39933	24108	18183	20364	21214	29998	17684	14048	19880	26187	18163	13777	9460	4948	10657	0	0	0	12436	6816	0	27885	18194	21001	19213	10233	0	21289	5273	5872	27348	12823	5163	26931	8229	16748	12556	6921	15821	11454	18191	0	5935	0	15077	16287	15607	7336	16256	0	10206	11323	14593	9547	6521	9472	3502	8084	11244	17801	10201	14186	26973	223445	183210	51678	10540	10235	0	20585	19128	5443	6682	8021	25396	12192	17175	0	23650	7838	0	11671	20443	Peptide	0.4117647	1.5882353	0.1764706
12	C17 H27 O7 N3	386.19217	386.19254	-0.20161757	386.1921	8019	5087	4452	6918	2518	7916	4154	8467	0	2079	0	4363	3533	1739	8083	6742	6266	5301	5930	2365	0	4783	5896	6439	10895	0	3070	10739	10179	6094	7106	8450	13333	8939	3674	9410	12960	5260	6988	4267	0	4428	0	0	0	4075	0	0	9117	4785	4698	5772	2899	0	3522	0	3290	11701	0	0	0	0	4075	1722	1790	3854	3649	0	0	0	0	7639	5970	6936	3285	5912	0	5619	5771	15477	5734	1970	3420	1299	1403	1865	10120	3332	4900	17717	46892	37275	14098	0	1645	0	7422	9975	1765	1999	1668	7912	3629	4503	0	10893	2291	0	5964	7645	Peptide	0.4117647	1.5882353	0.1764706
4	C17 H27 O7 N3	386.19217	386.19278	-0.23081934	386.19208	13361	13369	12698	10215	7274	8281	8563	13261	11174	5968	4160	6278	14093	3045	13305	13454	11523	14707	15149	6270	8103	14945	10900	16683	13596	1204	7320	12199	11328	11167	10549	11669	18771	10437	9627	12679	19207	11097	15149	5660	4199	7426	0	0	0	11174	3933	0	13829	8752	10850	13498	8435	0	16751	7126	4629	16624	10299	3553	16032	3408	14396	13025	5355	13146	7054	11336	0	5115	0	12838	9642	12141	5198	7584	0	8940	9757	9910	8255	4195	6697	2201	9470	8996	11115	8164	10027	15986	67277	53043	34243	6211	5896	0	13566	16461	6301	8218	7964	14445	9393	13313	3438	15648	7746	0	8204	16243	Peptide	0.4117647	1.5882353	0.1764706
24	C22 H27 O5 N1	386.1962	386.19656	-0.1770102	386.19614	34297	36932	34845	37284	27082	20648	14395	29390	24344	48119	64748	14653	25609	15046	18284	45237	23441	20822	30369	57122	58480	44491	22693	41087	20636	95574	11270	62397	30859	27819	25209	33060	33540	29618	48830	28161	31545	15364	26103	55304	77612	23114	0	0	0	45963	58378	0	32294	26673	33537	35525	23981	0	16003	20277	12320	46822	20701	29192	44897	43492	19284	16950	10365	31825	29019	30176	87835	79067	109662	30689	28939	25919	19589	25842	0	22172	32064	45066	25850	32368	20192	40538	18224	16917	33176	24321	28912	69495	41200	41170	45622	44485	47622	0	34163	41085	18101	18165	25035	32599	15888	35422	31388	45525	21451	0	26311	19438	Phytochemical	0.22727273	1.2272727	0.045454547
22	C22 H27 O5 N1	386.1962	386.1966	-0.17974699	386.19614	54759	59297	49748	56829	42470	33259	24867	52951	30245	77353	101660	34078	25590	23914	30962	67468	51709	40650	44474	92574	110893	73278	35722	78643	38073	167118	27020	93118	55577	47526	35245	57030	57657	61068	76831	54682	56332	22272	48248	92847	120258	43412	0	0	0	61320	62264	0	54594	43489	63002	62569	44825	0	25717	25024	24345	60726	31994	44003	67676	67749	26765	24873	15806	40603	43525	56927	158027	163525	193808	56689	40311	30207	40102	42774	277	31169	42222	59211	30469	43990	38505	79564	36584	27801	49115	49732	46096	96269	64824	65806	79899	69043	85852	0	49227	53318	28951	33813	28797	65983	29884	60908	41505	58093	31402	0	38925	33671	Phytochemical	0.22727273	1.2272727	0.045454547
6	C22 H27 O5 N1	386.1962	386.19675	-0.26799622	386.1961	15178	16277	14386	13311	2866	5160	9833	22097	2509	32251	15648	11701	3219	2591	11370	17642	14203	4944	8400	40312	46340	11683	11206	22992	11711	35460	10644	15808	20609	18805	15878	22547	19988	19334	34115	19495	21189	11680	19522	21977	15100	7037	0	0	0	16829	16762	0	25846	18829	14221	12709	4271	0	3443	1851	3549	20008	0	1848	20024	14310	3912	3866	2432	5159	9187	21805	26291	41887	40349	17792	18387	18976	16837	15852	0	12025	11131	9521	8749	3582	1822	18535	3278	3396	8549	6933	8013	21407	15224	6172	24531	12293	29315	0	17256	14036	2285	1734	1613	17771	10510	17377	10776	16966	2168	0	8948	2251	Phytochemical	0.22727273	1.2272727	0.045454547
20	C19 H31 O5 N1 S1	386.1996	386.20004	0.05007576	386.1996	0	2489	2120	3350	1636	1554	1214	0	0	0	0	4139	1977	0	0	0	3986	0	2177	0	0	0	0	1941	1666	0	0	0	2034	1314	0	1340	1785	1272	0	1633	0	1152	3265	0	1409	1810	0	0	0	0	0	0	0	0	0	0	2543	0	0	0	0	0	1184	1016	1457	0	1634	2439	65552	0	3389	4814	0	0	0	0	0	0	2673	0	0	2384	0	0	0	0	0	0	0	1181	0	1662	2506	2775	7048	4706	0	1749	0	0	0	3526	1200	0	0	0	2201	2917	0	2375	0	0	1292	0	Organosulfur	0.2631579	1.6315789	0.05263158
8	C16 H27 O6 N5	386.2034	386.20377	0.24402396	386.2035	2090	2139	3893	2624	1026	2842	0	2178	0	1396	0	1605	1367	1826	2695	2848	1992	29623	1370	1595	2194	4569	1230	3559	1989	445	1709	0	2984	2806	2295	2210	5978	2298	2537	3466	6593	1879	0	1733	1549	2127	0	0	0	0	1479	0	0	1119	1877	2754	1548	0	1110	672	707	5057	0	0	0	0	0	742	0	2692	3502	3909	0	1326	0	1774	3509	1678	0	2382	0	980	0	0	0	1074	1149	940	0	0	1253	1013	2395	8623	11298	0	11464	1518	2557	0	3723	1463	0	0	0	2920	1206	0	0	2371	0	0	2008	2463	Peptide	0.375	1.6875	0.3125
24	C19 H31 O7 N1	386.21732	386.21768	-0.20084925	386.21725	33095	29472	33974	37830	35683	28463	14628	27937	32737	28905	17160	18387	78092	23169	27596	30215	17087	58152	56326	41443	40922	30399	31521	66768	21409	21821	14037	19239	29284	27257	24809	26920	29075	24393	36793	26880	40610	20401	16262	25441	22685	21450	0	0	0	29619	21184	0	30616	24382	31710	30233	31086	0	64820	41949	21052	37688	21516	12483	34712	21180	59113	44074	16521	57953	28548	21035	25921	50201	42351	31052	24736	26460	21334	24826	0	24400	33784	15907	23734	18269	18048	17400	40458	17349	26224	19329	22445	19261	39167	43062	44708	16785	36252	0	30754	33091	18920	41658	50447	34104	14429	28392	19933	26466	20886	0	18212	62512	Lipid	0.36842105	1.6315789	0.05263158
6	C19 H31 O7 N1	386.21732	386.21786	-0.27360126	386.21722	18598	18097	17979	18688	5430	7904	11040	20504	8215	16226	5575	10525	11084	5735	14115	27001	9531	12205	11543	18985	14315	24798	13312	20932	18779	6378	9345	7067	32606	26484	23064	30956	31549	19481	26697	28849	23989	12315	14906	12717	9825	6766	0	0	0	14082	10618	0	36623	19947	18150	18783	6284	0	9985	5182	4613	34994	7647	5164	25435	7569	8381	7947	6040	10536	11480	12762	5710	13296	9476	20814	17807	26863	11982	23029	0	15514	11879	0	8086	5943	7839	8024	6243	6149	15830	5355	10477	24170	36142	35340	34751	9613	18116	0	15957	19524	6361	5682	6967	27490	11865	25034	0	19186	5283	0	10429	13347	Lipid	0.36842105	1.6315789	0.05263158
22	C19 H31 O7 N1	386.21732	386.2177	-0.19944905	386.21725	128546	123717	124292	129532	119440	107553	91346	135710	130198	152354	71399	75121	161994	80376	121383	139271	79687	218250	192946	173517	161883	113725	128416	153202	103350	89438	70802	68683	162473	124832	123070	142149	193204	124204	150033	165785	192687	88164	78949	112359	83586	104252	5545	0	1120	103848	85300	0	132446	119894	125654	127972	117305	2489	226310	131456	72327	153485	103070	55186	152531	87491	161534	146311	66565	159704	130565	81974	77383	161926	106629	117916	121565	137460	84855	113349	1011	97116	118584	59869	92858	55658	94132	73259	121127	92015	110797	82600	110006	78280	168225	184489	162679	63491	116979	0	117811	136708	94494	117831	144944	196624	76713	143041	74748	117950	95514	0	80068	184698	Lipid	0.36842105	1.6315789	0.05263158
8	C19 H31 O7 N1	386.21732	386.21783	-0.26413837	386.21722	26719	25407	17577	23636	8811	14269	14666	25220	9915	22828	7122	13568	15549	5777	14632	30654	17969	9988	15425	23932	17999	28575	17673	25765	16528	7664	13682	8847	28394	29202	24456	33864	27104	22717	28822	34146	38296	15695	20262	19291	11652	9658	0	0	0	17134	14597	0	30705	24721	21826	21506	11038	0	15567	7541	5912	33217	9225	6411	23093	6828	12786	10091	3889	14281	12410	19583	6260	21969	12815	23726	25044	28147	17927	24693	0	20211	17828	9014	11709	7634	10408	13083	8423	6076	17368	8092	13199	28198	30378	35237	43066	13020	19681	0	23645	25881	6434	8995	12289	24930	15733	26026	0	18841	7176	0	14485	15358	Lipid	0.36842105	1.6315789	0.05263158
16	C18 H31 O6 N3	386.22858	386.22833	-0.37174016	386.22842	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2241	0	0	0	0	0	0	0	0	0	0	1103	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1810	0	0	0	30710	10621	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7222222	0.16666667
10	C18 H31 O6 N3	386.22858	386.2289	-0.15010759	386.22852	6897	4199	5942	4931	0	0	956	1638	0	0	1533	837	0	0	1019	3268	0	0	1134	0	0	1824	1418	1547	2096	0	2017	6725	2020	1183	1480	3181	3926	2616	0	1683	1975	1094	2401	0	0	0	0	0	0	0	0	0	2070	0	4969	3319	1204	0	0	0	0	4816	0	0	0	0	0	0	0	0	0	0	0	0	0	1403	1390	1639	0	1754	0	0	1416	7818	0	0	0	0	0	0	1920	0	971	7349	331559	206686	7813	3784	0	0	5902	4562	0	0	0	1875	0	0	0	2369	0	0	1776	0	Peptide	0.33333334	1.7222222	0.16666667
6	C18 H31 O6 N3	386.22858	386.22913	-0.17225613	386.2285	6742	6595	5147	6677	1781	8229	2113	4398	1354	1519	812	1138	2216	565	2599	6025	1352	2128	3131	2057	977	5733	2449	5249	6799	0	1223	10545	4829	3898	4118	6014	4168	3086	1327	3562	3822	3010	2699	0	527	928	0	0	0	1927	0	0	4180	1579	5634	5811	1400	0	2143	0	710	7845	0	0	4115	0	2522	929	0	1859	1429	0	0	0	0	4315	4117	2113	1108	3465	0	2186	2139	12447	964	0	896	0	0	0	3331	721	1414	8254	300043	331406	9822	3297	1589	0	6741	5995	0	0	529	3540	2025	2517	0	4006	0	0	4055	3974	Peptide	0.33333334	1.7222222	0.16666667
12	C18 H31 O6 N3	386.22858	386.22873	-0.3571572	386.22842	0	0	1761	0	0	0	0	2038	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3200	1376	0	0	0	0	0	994	1238	0	0	0	0	1908	978	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1543	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5066	96096	43229	2758	0	0	0	1860	0	0	0	0	0	0	0	0	0	0	0	1387	0	Peptide	0.33333334	1.7222222	0.16666667
8	C18 H31 O6 N3	386.22858	386.229	-0.24911289	386.22845	11653	10214	12309	8345	1619	5509	1247	2669	995	2838	4083	1464	1377	1350	1599	2862	2073	1447	1235	0	0	4560	1636	6391	3901	0	0	41933	3857	1999	2308	2504	5009	3666	1501	2370	3757	1211	821	0	0	1774	0	0	0	0	1111	0	3899	1557	8129	11902	0	0	0	0	691	4835	0	0	5502	0	1764	0	0	1929	2030	2050	0	1299	0	2690	2503	1918	858	1784	0	1302	1833	19958	994	0	0	0	0	0	2453	1403	1418	3786	598776	714602	9242	6853	1612	0	12429	11572	0	0	0	3606	790	0	0	3206	0	0	1486	1265	Peptide	0.33333334	1.7222222	0.16666667
14	C18 H31 O6 N3	386.22858	386.229	-0.33725223	386.22842	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1952	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6790	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1704	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57390	17094	0	0	0	0	0	0	0	0	0	0	0	0	0	1456	0	0	0	0	Peptide	0.33333334	1.7222222	0.16666667
18	C18 H31 O6 N3	386.22858	386.22864	0.064409636	386.22858	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7975	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6987	0	0	0	0	0	0	0	0	0	0	21594	8437	0	0	0	0	0	2006	0	0	0	0	0	0	0	0	0	0	1701	0	Peptide	0.33333334	1.7222222	0.16666667
18	C23 H31 O4 N1	386.23257	386.233	-0.108563386	386.23254	4932	5518	5045	4556	2669	1801	2202	1771	1279	7262	6471	3736	0	1200	2167	8112	9942	0	4737	10795	4450	2645	1962	5908	4868	20459	4911	14720	4754	4715	7537	4959	8194	5029	6254	2706	8087	1837	8755	6299	7354	2828	392	386	0	3148	2600	0	6687	6123	4447	2557	4449	0	0	0	1647	8625	2593	3878	4832	1352	0	1331	1249	0	2778	9664	12967	13967	23050	2880	3301	6294	6010	6386	0	1824	4323	5089	3102	0	2866	5561	2072	0	7104	2509	3219	18176	7364	3810	12327	2347	6996	0	4493	5625	0	0	1335	6971	2804	3224	2485	4744	1683	0	4577	0	Lipid	0.17391305	1.3478261	0.04347826
20	C23 H31 O4 N1	386.23257	386.23294	-0.2270418	386.23248	11268	12753	9727	10514	2005	2694	12372	9778	3495	13841	13202	10903	1961	4608	7258	20499	20600	4191	5657	12017	17239	8489	6281	16336	7008	30445	11766	16905	9742	13919	7218	12794	13936	10396	11836	9946	15866	6536	23054	13135	22700	5574	0	0	0	8316	9550	0	11120	9980	10585	14229	4534	0	1706	0	4820	15464	3226	14819	8483	5196	1966	1546	2837	2332	6370	23260	30740	28853	37965	9259	13542	11231	17294	10338	0	5167	10140	10471	6372	5494	8231	9883	3904	2298	15245	8277	6142	44513	23016	13620	22606	12670	13157	0	14150	11212	4586	3972	3343	16771	7259	10161	5039	18332	4175	0	14498	1847	Lipid	0.17391305	1.3478261	0.04347826
26	C23 H31 O4 N1	386.23257	386.23297	-0.1783318	386.2325	17332	17633	15856	12886	13234	6777	4853	8849	7142	9616	23369	6613	6920	6571	6741	21279	16332	11097	20752	16833	15332	18312	7700	18873	19437	42302	6038	18527	14542	20819	10531	13562	17698	16314	8527	16131	24623	7333	15926	16989	21304	6701	0	0	0	9322	6898	0	11534	12614	15650	13924	10264	0	9451	8105	5127	17623	10379	7909	16776	13632	5639	8750	4338	8625	11003	19247	36665	18841	27742	9868	12235	13754	9677	13871	0	7816	28120	33512	9670	11525	11309	21296	17022	0	31901	10727	9939	43762	25647	28939	30307	45164	23767	0	14648	14618	7290	19798	27170	20816	5805	12342	8011	19187	11950	0	17934	7147	Lipid	0.17391305	1.3478261	0.04347826
16	C23 H31 O4 N1	386.23257	386.23294	-0.22781317	386.23248	3322	4894	4018	3384	1773	0	0	4261	0	8726	11971	2616	0	1257	3178	6778	5767	0	0	17595	11451	0	2726	4534	3499	20215	2669	9826	6615	3706	8624	4306	7702	6653	8476	5011	7760	2364	8380	7667	3704	2539	0	0	0	3777	5006	0	3873	4630	4659	5833	1960	0	0	0	1772	7459	0	1934	0	0	0	0	1111	0	4873	14015	15348	20433	23511	7221	6864	5063	6206	5759	0	2804	2027	0	1495	0	0	5410	0	0	2815	2364	4161	0	9493	0	0	2364	5525	0	2914	3292	0	0	0	6623	4482	2492	0	0	0	0	2487	0	Lipid	0.17391305	1.3478261	0.04347826
12	C23 H31 O4 N1	386.23257	386.23306	-0.20204689	386.2325	7257	7186	10528	8645	0	3705	3600	19132	0	16487	13782	6208	0	2090	5740	12932	8660	0	3554	26862	34451	0	7698	20299	10642	24407	8059	17157	16677	15963	21971	22492	19508	15319	24550	16804	21829	9789	7190	14138	0	5225	0	0	0	7137	5664	0	19610	16356	11247	10408	3193	0	0	2221	2574	14559	0	0	0	1927	0	0	1358	1253	6503	19101	18404	26925	24018	14113	13292	11828	14786	13656	0	12227	3865	0	5695	0	0	12871	866	1253	6640	3769	4808	28100	15390	0	21863	5834	17727	0	11940	9366	2158	1020	3650	17023	10303	7694	0	20886	2465	0	4194	0	Lipid	0.17391305	1.3478261	0.04347826
22	C23 H31 O4 N1	386.23257	386.23294	-0.2412833	386.23248	20637	19815	19175	23210	11461	7056	13669	15279	8396	17223	30345	12414	5238	7172	15208	30528	29918	9902	11332	33136	30526	24616	13772	24258	12142	67228	9347	30887	20226	18525	15354	19631	19105	19422	17634	27538	22206	10979	25213	27421	39238	10592	0	0	0	17682	24910	0	23148	14925	18528	24036	8321	0	6295	5116	7719	29708	7941	19636	26630	12906	6449	10035	6116	10903	14187	28798	51432	46590	62077	12224	17413	17305	23278	19964	0	11579	19896	22284	10288	9525	13878	16529	7567	8179	18135	14643	8466	60972	35061	22960	35934	17828	23337	0	14671	16965	6951	12860	5785	26683	9658	17472	9421	28920	8420	0	19329	8334	Lipid	0.17391305	1.3478261	0.04347826
24	C23 H31 O4 N1	386.23257	386.23294	-0.19798565	386.2325	23343	24752	25894	29931	28773	12674	11831	20788	13245	24469	37016	14719	10640	11403	15273	38344	27271	11058	23262	36709	40086	28734	14259	30317	19098	74929	13219	45454	25150	23330	17464	26391	28578	22836	30217	28083	28392	13206	28772	38042	54708	15550	0	0	0	21752	24130	0	24956	21676	27471	24377	19747	0	15290	12844	9157	28453	14373	20902	32993	23258	8123	11780	5715	14667	22532	28023	65026	54699	72350	19260	21613	23289	22306	21537	0	12418	24086	26130	14388	16583	19140	29573	14933	8668	31451	13796	15780	60478	37944	33619	49819	32187	26924	0	27565	24483	12779	14971	12608	31153	11410	26436	16264	37765	15242	0	25284	10507	Lipid	0.17391305	1.3478261	0.04347826
10	C23 H31 O4 N1	386.23257	386.23306	-0.24286093	386.23248	19677	15170	16038	15571	1158	3598	13149	34603	0	17334	15443	20274	0	1574	13584	35002	23767	1154	5378	34204	28250	4927	18078	28185	16279	21746	17456	15720	32292	29400	27222	31770	38871	29810	23973	32161	41860	17989	17653	19370	4670	5364	0	0	0	9126	14261	0	40991	30750	18653	16564	3443	0	0	742	2886	29053	0	0	27484	5418	0	1149	2449	2065	6366	35352	10063	22377	17225	33740	32031	32397	32226	26809	0	17870	10413	10227	11469	0	0	17056	0	894	8124	7626	10452	33104	16341	0	41498	9433	24938	0	18322	16698	0	0	0	39195	18346	15088	0	37537	0	0	11837	0	Lipid	0.17391305	1.3478261	0.04347826
14	C23 H31 O4 N1	386.23257	386.23306	-0.16122495	386.2325	8181	7802	5163	7335	1068	3550	4294	7823	1314	15336	10002	3798	1848	2495	4661	10478	11146	0	2638	18313	20941	0	4750	7098	6871	24535	6967	13058	7754	16705	7674	12539	11856	7957	13056	10059	11686	4793	8953	14887	4653	3498	0	0	0	4667	6723	0	7670	5705	4061	5770	1158	0	0	2701	1402	9942	0	0	0	1609	0	0	1610	2248	4633	21066	13758	29151	29361	7886	10604	12049	11226	11910	0	6816	3520	0	2753	0	0	7394	1990	0	4307	3190	3542	16624	12161	0	17161	3442	13164	0	5621	3121	1010	8810	12587	9961	5263	3356	23100	9968	1151	0	2890	0	Lipid	0.17391305	1.3478261	0.04347826
14	C16 H35 O9 N1	386.23846	386.23892	-0.15749985	386.2384	686195	694008	616249	665682	14814	9151	8593	10918	10695	18495	526120	5996	17100	13381	9551	7386	13552	17150	5487	9643	25849	13190	10741	10920	8667	13881	7430	28517	6250	7305	7054	0	11448	5321	15951	5573	9314	9816	14832	574397	32174	11644	25733	20993	16952	504215	152019	21014	3433	10066	686686	626056	14471	35177	8622	9168	11550	7746	3717619	31769	23130	1890983	25041	8323	27213	26756	23710	13578	26268	18839	24296	7574	5320	10019	5719	8063	22775	12216	11264	40212	10115	9411	8128	8159	11414	25261	7675	18952	6156	8932	35765	27751	11015	131663	32404	17169	683497	738572	14738	8085	7758	15816	8402	52720	78685012	10944	6594	22700	5521	10965	Lipid	0.5625	2.1875	0.0625
10	C16 H35 O9 N1	386.23846	386.23892	-0.216759	386.23837	25347	20808	24572	17896	1201	1167	7027	4783	4536	33578	70571	1557	1346	2499	2301	6764	2738	2350	0	69548	13499	31714	1539	9929	2503	6377	42601	151235	3702	3362	1416	2314	1267	924	8142	3335	1677	1415	3438	43073	26572	3836	6154	1950	3926	101487	195817	2957	4076	4692	18496	25323	1874	6608	2742	2108	3488	7257	69872	27726	76372	65945	5120	2025	1706	1944	1913	5866	163249	79489	339109	0	0	3723	5429	2562	5808	1493	3305	280817	2375	8792	3691	1821	2639	4159	1293	1594	1056	4932	28940	42685	4388	38520	136928	2802	22346	26755	10181	0	4298	2906	1993	65641	711370	1144	1830	3119	1758	1905	Lipid	0.5625	2.1875	0.0625
12	C16 H35 O9 N1	386.23846	386.23892	-0.26080325	386.23834	38973	44117	42781	45310	16161	10869	48660	16857	13297	37751	101220	14010	12710	9549	11969	10894	27877	9789	5557	51762	27073	33311	12287	13898	11159	13015	57534	349641	10706	10456	8971	3058	9692	6133	14637	7801	5720	14834	20330	51221	132037	9698	25670	20946	16597	132927	228359	20242	7676	15536	37083	45744	7720	24859	10441	11819	16372	32887	262063	100839	286411	234676	128049	8270	19545	34382	21977	43887	353696	81019	340405	7336	5912	12769	7581	5637	17051	9474	7664	477730	8655	28156	5504	9138	8679	16690	4927	10040	8050	40993	39577	32782	26956	62388	45919	16671	38656	66674	21841	7797	10396	21692	10575	55419	4490757	7172	8734	20292	9161	39104	Lipid	0.5625	2.1875	0.0625
4	C20 H35 O6 N1	386.25372	386.25433	-0.16303584	386.25366	3931	4256	4420	5237	283	1277	4634	7221	0	2549	0	2890	0	0	6645	7989	1237	658	2171	3300	2748	15888	4361	6293	12105	234	3171	0	7473	4155	5344	5042	7341	4092	4791	6371	5779	4189	1983	3300	740	3865	0	0	0	3857	884	0	9001	6141	5701	4269	3040	0	296	0	1776	9642	1793	0	8082	1113	0	0	1208	1847	3935	2220	0	0	0	5617	2852	5349	2681	3445	0	4164	3738	0	3487	1016	3104	1416	0	2463	8781	1443	2616	8732	21783	17864	29754	3016	5852	0	4286	5386	0	0	0	6012	3316	11947	0	8206	0	0	6460	0	Lipid	0.3	1.75	0.05
22	C20 H35 O6 N1	386.25372	386.2541	-0.2245905	386.25363	53622	47126	49232	49113	35834	28521	142267	41531	20317	16660	14288	20575	34888	41756	33647	42425	46409	48284	46232	23896	22726	18149	24770	29908	31920	22464	99342	21209	47786	42999	29692	45761	55608	40591	12193	48643	49628	28251	42347	12139	12780	32330	7690	0	855	17652	21002	0	43498	35785	56401	52056	39598	3424	43270	68329	292917	41514	17371	23059	52057	12406	39665	25884	431965	63854	49781	55893	6821	13098	8892	29077	36417	41733	39392	44107	1026	20807	26607	38818	19480	17147	81628	55976	261792	368454	40961	183550	32129	46299	78982	59068	38750	14893	24297	0	43206	53581	46916	212832	709754	61061	23517	31095	35695	36105	415217	0	32415	36151	Lipid	0.3	1.75	0.05
12	C20 H35 O6 N1	386.25372	386.25406	-0.20612396	386.25363	3532	3035	4830	3979	0	0	16329	38591	0	0	0	2861	0	1407	4570	6671	1842	0	0	1708	0	0	2611	0	2510	0	8944	0	33804	14443	33251	15695	3277	8193	1472	12945	4883	0	2014	0	0	2273	717	0	0	0	0	0	40161	18440	4020	2338	1540	0	0	0	0	24207	0	0	0	0	0	0	0	1579	1827	0	0	0	0	19091	14304	13264	1675	12711	0	11194	0	0	0	0	0	0	0	875	2074	0	0	3815	2825	1933	2741	0	0	0	3037	4365	0	0	0	0	5228	0	0	2597	0	0	0	0	Lipid	0.3	1.75	0.05
26	C20 H35 O6 N1	386.25372	386.2541	-0.11967525	386.25366	10301	9468	11546	9896	12425	7921	11379	11694	12923	8334	6275	3248	20264	14010	10007	7535	7058	18176	23429	6640	0	9486	6333	7943	6236	0	8056	19311	15354	6471	8465	10477	14407	10789	8820	11551	17539	4853	9255	5688	2949	9561	0	0	0	0	0	0	15146	0	11295	9707	11466	0	13684	9148	8067	11083	10527	4337	11759	6356	14712	8276	11403	39765	25383	7428	0	2631	0	6375	10578	10258	0	9517	0	6306	5255	9645	0	8969	8277	6945	8222	9842	7303	6461	11430	8364	33544	28605	6470	8061	7117	0	10337	12019	8732	9110	9670	15717	3947	14672	17172	7512	10301	0	5921	8359	Lipid	0.3	1.75	0.05
20	C20 H35 O6 N1	386.25372	386.2541	-0.22487263	386.25363	18009	21862	23114	17290	15232	11310	72978	19043	13481	5698	7451	13861	14949	15793	21244	30905	30751	19386	17613	11170	4486	11300	11543	21793	18639	14853	54292	14055	26300	22364	16090	26145	25532	18181	3657	35161	19566	17616	28851	3308	8795	21554	2548	0	0	7631	8096	0	25219	21630	18468	20983	11778	0	23607	18535	11412	23313	8743	12437	26421	2116	26933	13402	19101	28467	23329	24639	4552	2059	4952	17380	24439	23799	40042	22671	0	11708	19737	15609	11156	7571	70210	52787	20091	23013	25118	14124	17446	29388	45307	26084	23839	7494	12738	0	18218	23395	11247	19601	32369	30819	10332	15275	11327	19417	17221	0	19415	14607	Lipid	0.3	1.75	0.05
10	C20 H35 O6 N1	386.25372	386.25412	-0.11959417	386.25366	10457	8238	8243	0	0	0	2641	72173	0	1946	0	11975	1007	0	3163	27198	2318	0	0	3758	1876	1414	2140	4166	4446	1244	2417	0	12363	34928	37933	18232	11725	14383	2295	16701	8972	2180	2006	2035	0	1421	1561	0	0	0	0	0	40961	82437	9533	8205	1428	0	2525	0	1561	23443	0	0	24504	0	0	0	1733	0	1583	3418	0	1757	0	60130	14885	20418	9581	19319	0	8853	1413	0	956	0	0	0	0	0	3655	1456	3680	6978	10249	5339	5643	1215	2563	0	8492	4594	0	740	0	10561	6590	7179	0	5483	0	0	3646	0	Lipid	0.3	1.75	0.05
2	C20 H35 O6 N1	386.25372	386.25433	-0.14007224	386.25366	1561	1916	2035	2392	0	0	1843	4011	0	1131	0	549	0	0	2021	2301	690	0	0	1614	950	3843	1239	2436	3315	0	0	0	2565	2096	2946	1516	1377	1171	1020	2959	1874	1655	1049	651	579	0	0	0	0	1284	295	0	3572	3231	1797	2384	476	0	0	0	0	4159	735	0	3631	387	0	0	0	0	530	1101	0	657	0	1520	968	32647	753	3202	0	1998	957	0	280	0	849	354	0	0	2879	0	760	3463	7572	6746	8841	1323	2627	0	1453	2090	0	0	0	1392	1260	3177	526	2659	0	0	2021	0	Lipid	0.3	1.75	0.05
16	C24 H32 N3 Na1	386.25668	386.25757	-0.002151658	386.25665	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15698	2789	0	0	0	1301	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11529	49406	0	0	0	0	0	Lipid	0.0	1.3333334	0.125
22	C24 H35 O3 N1	386.26898	386.2692	-0.235702	386.2689	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1774	1761	0	0	0	0	1436	0	0	2246	0	0	1379	0	0	0	0	0	0	0	0	0	0	2039	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2316	0	0	0	0	0	0	1218	0	0	0	0	2046	0	0	1175	0	0	0	3456	0	0	41321	0	0	5511	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1277	0	Lipid	0.125	1.4583334	0.041666668
24	C24 H35 O3 N1	386.26898	386.26932	-0.11205725	386.26892	1667	1330	2691	1551	0	0	1212	0	0	0	1141	1267	0	0	0	5297	5553	0	1560	1344	0	0	0	1114	3241	4293	1861	1748	0	2012	0	0	0	1035	0	0	1564	0	6245	0	1943	0	0	0	0	0	2044	0	1191	1692	1363	0	1020	0	0	0	0	1256	0	907	2444	0	0	0	0	0	0	5669	0	0	2313	1022	1390	0	1400	2034	0	1070	3257	2210	0	1174	0	0	0	0	10754	0	838	70364	3894	4018	6502	1287	0	0	2159	1706	0	0	0	2113	1737	0	0	2706	0	0	4343	0	Lipid	0.125	1.4583334	0.041666668
26	C24 H35 O3 N1	386.26898	386.26904	-0.34838375	386.26883	0	0	2392	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5537	1733	0	0	0	2299	0	0	0	0	0	0	0	4303	0	0	0	0	0	0	0	0	0	4061	0	0	0	0	0	0	0	0	3382	0	0	0	0	0	0	0	0	0	4634	0	1672	0	3375	4166	6362	0	0	0	0	1973	0	0	0	0	0	0	0	7727	0	0	27785	2561	2931	5240	0	0	0	1904	0	0	0	0	0	0	0	0	1867	0	0	5212	0	Lipid	0.125	1.4583334	0.041666668
16	C24 H35 O3 N1	386.26898	386.26932	-0.10900554	386.26892	6087	7186	7269	5660	0	0	0	0	0	0	0	0	0	0	0	7796	0	0	0	0	0	0	0	0	3662	0	0	0	4259	8292	9650	7811	0	3466	0	3763	0	1495	0	0	0	0	0	0	0	0	0	0	3799	4681	7179	4964	0	0	0	0	0	95860	0	0	111131	0	0	0	0	0	0	0	0	6732	1457	2259	6599	5360	2549	2652	0	2002	0	0	0	0	0	1321	0	0	0	0	0	0	0	0	0	0	0	0	2627	7999	0	0	0	0	0	0	0	233912	0	0	1026	0	Lipid	0.125	1.4583334	0.041666668
14	C24 H35 O3 N1	386.26898	386.26935	-0.23470847	386.2689	0	2292	2257	3207	0	0	0	29274	0	0	0	4729	0	0	2274	358729	2463	0	0	0	1888	0	0	4769	261558	1978	0	0	1897	4794	6191	0	45108	2760	0	5051	28671	0	0	0	0	0	0	0	0	0	0	0	4469	10774	1862	1872	0	0	0	0	0	20553	0	0	74055	0	0	0	0	0	0	4848	0	0	0	5448	1988	6066	1990	2172	0	3717	0	0	0	0	0	0	0	0	0	0	0	4448	0	0	24406	0	0	0	0	0	0	0	0	74239	2072	0	19353	107275	0	0	0	0	Lipid	0.125	1.4583334	0.041666668
12	C24 H35 O3 N1	386.26898	386.2694	-0.16874732	386.2689	6788	6947	8124	5441	0	0	6371	15337	0	0	11746	273541	0	0	10656	7369	7590	0	0	1693	1723	0	1285	0	4086	0	6998	0	21701	14163	196200	11943	7351	13938	0	9074	7008	16840	2091	0	0	1322	0	0	0	0	0	0	22713	17861	9095	7583	0	0	0	0	0	7900	0	0	0	0	0	0	1754	0	0	8128	0	0	0	16047	13099	13709	5538	10817	0	472051	0	0	0	0	0	0	0	0	0	0	0	5955	0	0	5449	0	1536	0	9587	7642	0	0	0	4857	250468	0	0	8273	0	0	1154	0	Lipid	0.125	1.4583334	0.041666668
22	C21 H39 O5 N1	386.2901	386.29034	-0.09916523	386.29007	0	1550	1865	1393	0	0	49554	9104	0	0	0	0	0	10337	0	2267	1576	0	0	0	0	1688	0	2503	0	7076	50233	0	0	9817	2080	0	0	0	0	0	0	0	0	0	0	3084	0	0	0	0	0	0	1663	7182	1708	2420	0	237	0	0	0	0	0	1020	6134	0	2441	0	6637	0	3018	0	0	0	0	4553	1871	5457	0	5345	0	1288	0	2205	0	0	18184	31833	0	0	0	0	0	2188	3620	0	0	0	0	0	0	2717	0	0	0	0	0	0	0	2031	0	0	0	0	Lipid	0.23809524	1.8571428	0.04761905
24	C21 H39 O5 N1	386.2901	386.29037	-0.2004758	386.29	5628	3081	5139	3555	2115	2045	118674	5394	0	0	2513	0	0	33173	6153	4956	2451	0	0	0	0	0	0	4582	3327	6145	97811	7433	2120	2156	3864	1278	2899	2759	0	1442	1331	6961	3623	0	1773	2470	2742	0	0	0	1549	0	5006	5574	3557	2156	884	0	2492	1080	2153	4156	2531	5076	6253	0	7229	0	22665	6020	9538	3000	0	1692	2011	5448	1034	3715	0	4425	0	1025	0	9609	1623	2807	27131	19792	1813	7654	3470	3869	1981	2982	15972	10201	3836	1140	0	0	3884	2585	4081	0	1844	2461	0	4031	2230	4272	0	0	2987	1983	Lipid	0.23809524	1.8571428	0.04761905
26	C21 H39 O5 N1	386.2901	386.2902	-0.22397275	386.29	4525	2090	4939	4950	1969	2481	59482	0	1992	0	3628	0	0	15402	0	0	0	0	0	0	0	0	0	11412	0	0	42277	16775	0	5846	3206	0	3432	0	1524	5114	2253	4080	0	0	0	6850	0	0	0	0	0	0	2540	0	3075	2287	2914	0	0	0	0	2349	7974	0	5864	2866	3577	0	13809	6633	10988	0	0	0	0	4007	0	0	0	4473	0	0	0	20655	0	3699	13793	5400	0	0	3236	0	0	1415	27458	19601	0	3399	0	0	3489	0	2422	0	0	0	0	0	15706	4601	0	0	4653	0	Lipid	0.23809524	1.8571428	0.04761905
26	C22 H43 O4 N1	386.32648	386.32672	0.030368835	386.3265	0	0	0	0	13608	7099	17456	0	0	0	0	0	0	12734	0	0	0	0	0	0	0	0	0	0	0	0	11476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24826	0	0	0	0	0	0	0	0	0	0	15461	0	0	0	0	0	0	0	0	0	0	0	3048	1957	22804	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44228	11456	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.18181819	1.9545455	0.045454547
22	C18 H10 O10	387.03467	387.0351	-0.04636078	387.03467	4970	3785	4470	1930	10822	6581	2522	1333	9395	0	0	2960	10402	0	5007	2935	2791	21129	11966	0	0	2133	5704	1873	0	0	2586	0	0	1412	1403	0	4248	2265	0	0	5193	4074	1820	0	0	2472	0	0	0	0	1670	0	1667	0	0	1699	9288	0	15252	8497	6429	1607	0	0	3083	0	24502	13990	6333	18990	4472	2846	0	0	0	1488	0	0	0	1242	0	2915	11340	0	6962	0	0	0	20731	9664	6655	3701	11602	1542	0	0	3033	4318	0	0	2989	2567	5418	16336	15950	6114	4322	0	2019	3383	11094	0	2647	15918	Phytochemical	0.5555556	0.5555556	0.0
24	C18 H10 O10	387.03467	387.03506	-0.10890223	387.03464	3053	3610	3732	4692	13016	8462	2275	0	9504	0	0	1103	16904	7633	4287	0	0	22314	20763	0	0	1803	4195	1451	1766	0	1655	0	0	0	0	0	1224	0	1369	0	2143	4940	1332	0	1113	3002	0	0	0	0	0	0	0	0	3424	3012	6820	0	10995	5026	5830	1872	0	0	1305	891	23842	14120	3916	16697	2257	2402	0	0	0	0	0	0	1215	0	0	2193	6669	0	8836	0	0	0	16633	5584	6051	4201	7859	2599	0	0	2154	0	1537	0	5163	4235	5535	17652	15267	1681	2115	0	0	1846	7688	0	2631	30663	Phytochemical	0.5555556	0.5555556	0.0
18	C18 H10 O10	387.03467	387.03516	-0.052768003	387.03464	2942	4890	1682	2707	8214	4934	1043	0	10674	0	0	2578	22563	7732	2197	1518	1776	13116	15295	0	0	2660	5365	0	0	0	0	0	0	0	0	0	1790	0	0	0	1751	1330	1751	0	0	2143	632	0	276	0	1925	657	0	0	3910	3110	6833	0	8227	9125	7669	1737	1310	0	2110	0	31165	13229	6589	12919	5494	1743	0	0	0	0	0	0	0	0	0	0	3676	0	5458	0	0	0	19991	8187	4845	6861	4358	0	0	0	0	5577	0	0	2619	5496	6217	18457	15008	0	2809	0	2107	1955	12836	0	0	17762	Phytochemical	0.5555556	0.5555556	0.0
28	C18 H10 O10	387.03467	387.03497	-0.16448309	387.0346	8736	6707	6250	6936	15300	8402	3887	0	11452	863	0	2660	28523	10540	3617	3384	0	29199	27701	0	0	3274	5174	2911	2526	0	4098	0	0	0	2824	1167	3094	0	1669	0	3376	3321	3071	0	1564	3502	0	0	0	0	0	0	1362	0	8064	7338	12310	0	16844	9846	5231	2035	1044	0	0	0	33309	12885	7230	21540	5949	2585	0	0	0	0	0	0	0	0	0	2101	14810	0	15012	1218	900	0	27893	11593	12613	7331	8836	5797	0	1478	2683	1867	3002	0	7678	6150	9862	17811	19867	3238	1297	0	0	3405	13976	0	4523	31100	Phytochemical	0.5555556	0.5555556	0.0
20	C18 H10 O10	387.03467	387.03513	-0.08020971	387.03464	4304	4906	4364	3025	12201	9669	2700	1774	11547	0	0	3020	17790	8688	3858	2304	2490	11612	14945	0	0	4001	3297	1619	0	0	2294	0	2597	1798	0	1578	3128	2018	2390	1518	5370	4435	2918	0	0	5195	0	0	0	0	1880	1379	3706	0	6112	3868	8520	0	5268	9135	7400	0	0	0	1893	0	28165	9947	6040	15706	5050	2349	0	0	0	0	2071	0	3559	0	289	3102	6809	1935	8066	0	0	0	16985	6861	6345	7904	7559	3566	0	0	3554	3352	0	492	2816	3188	9899	18485	15161	4016	2350	0	1369	3777	9212	0	0	17921	Phytochemical	0.5555556	0.5555556	0.0
16	C18 H10 O10	387.03467	387.03516	-0.024772378	387.03467	0	2718	0	3551	13492	2149	0	0	14033	0	1337	948	9984	4082	0	0	0	10211	13922	0	0	5886	3363	0	0	0	0	0	0	0	0	0	0	0	2360	0	1945	1633	0	0	0	2231	229	0	0	0	0	0	0	0	1701	2297	5495	0	10616	12614	4177	0	0	0	0	0	31033	15909	4015	11355	2261	0	0	0	0	0	0	0	0	0	0	0	6055	4062	3278	0	0	0	13837	2463	2693	2928	3467	0	0	0	0	7908	2743	0	1661	0	9441	18260	14205	0	0	0	0	0	8952	0	0	18336	Phytochemical	0.5555556	0.5555556	0.0
26	C18 H10 O10	387.03467	387.03485	-0.25485286	387.03458	6153	5792	8572	3471	17544	7506	1535	0	15610	0	0	0	27595	14113	0	0	0	33281	27843	0	0	3816	0	0	0	0	1984	0	0	0	2220	0	2460	0	0	0	2930	4522	2316	0	0	0	0	0	0	0	0	0	2230	0	5847	3929	9391	0	15758	12195	6281	2613	0	0	0	0	28854	16745	3916	21239	4887	3751	0	0	0	0	0	0	0	0	0	0	14825	0	15283	0	0	0	23207	9504	10051	8425	7272	4338	0	0	0	0	0	0	3979	7828	7814	16051	14972	0	0	0	0	2360	10679	0	3830	27086	Phytochemical	0.5555556	0.5555556	0.0
10	C15 H14 O12	387.05582	387.0564	-0.05919084	387.0558	0	0	1622	1831	7288	2516	0	0	9380	0	0	0	12506	0	1013	0	0	3087	5146	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2103	0	0	0	0	0	0	0	0	1297	0	3592	0	5388	9888	2881	0	0	0	0	0	17606	11810	3657	7394	3616	0	0	0	0	0	0	0	0	0	0	0	0	0	843	0	0	0	10461	1357	877	2980	1837	0	0	0	0	0	0	0	1576	1122	5369	14364	12092	0	0	0	0	0	4314	0	0	20549	Phytochemical	0.8	0.93333334	0.0
12	C15 H14 O12	387.05582	387.05646	0.030692706	387.05582	0	0	2532	1626	8252	2399	0	0	7558	0	0	0	16863	0	0	0	0	5574	6346	0	0	0	1784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1048	0	1669	0	3875	0	0	0	0	0	0	0	0	2823	3042	7556	0	4124	10414	2796	0	0	0	0	0	29868	13820	3205	7407	2537	0	0	0	0	0	0	0	0	0	0	0	1125	0	1484	0	0	0	6625	1289	0	2234	2034	0	0	0	0	0	1310	0	2865	0	6897	12263	11200	1988	0	0	0	0	6766	0	0	27410	Phytochemical	0.8	0.93333334	0.0
14	C15 H14 O12	387.05582	387.05637	0.016942253	387.05582	0	0	0	0	7619	3381	0	0	9389	0	0	0	19110	2399	0	0	0	6652	5634	0	0	0	1778	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1864	0	0	0	0	0	0	0	0	1807	2387	3159	439	6236	10632	2260	0	0	0	0	0	19264	13182	1579	6615	1701	0	0	0	0	0	0	0	0	0	0	0	2237	0	0	0	0	0	4956	0	0	3050	2240	0	0	0	0	0	0	0	0	0	5208	10932	8251	0	0	0	0	0	3308	0	0	25495	Phytochemical	0.8	0.93333334	0.0
14	C19 H14 O9	387.07104	387.07156	-0.081433006	387.071	40085	39814	33504	44611	63699	30511	15133	8628	66497	128800	88804	13617	91230	30496	18721	12681	10939	68834	61228	64862	85672	116144	28399	21444	10315	32775	14195	37296	7383	6832	9802	9226	16372	8589	147832	7056	19341	22332	11482	47482	61028	21637	0	0	0	44645	72651	598	10914	8301	46470	48547	41319	320	69696	57106	33035	18314	21393	19818	0	38912	106587	66005	26277	70827	30936	12427	42814	49132	73684	7438	7465	3692	9771	7081	408	12074	43006	80733	33667	44218	8466	23675	72405	38014	37092	29948	33116	23404	14634	29281	29413	126430	109027	0	47533	39435	61379	88100	68625	15414	13366	12643	34148	22380	49176	0	12311	76140	Phytochemical	0.47368422	0.7368421	0.0
18	C19 H14 O9	387.07104	387.07147	-0.11065183	387.071	55699	54643	50574	48981	82349	49304	17108	14305	85373	97754	65422	16801	131702	46606	27420	18297	7109	103662	118471	72521	58551	96696	37610	26256	16526	37424	18049	36123	8973	3439	10921	8586	22655	7539	109158	7273	28144	27075	13328	55559	49573	27938	1804	597	508	48333	50929	1027	12526	7871	45167	45417	56787	384	85935	72828	37165	28910	18243	17682	16373	43995	132915	83092	34113	89710	43567	12874	38377	40950	54260	7584	5579	2228	4406	7706	723	12166	65195	78900	47502	46238	13214	29397	101041	53199	47531	40986	38709	23126	26321	37350	25268	101401	128562	521	52732	42406	69006	87463	93568	22846	12920	18614	35433	17081	53510	657	22550	119242	Phytochemical	0.47368422	0.7368421	0.0
24	C19 H14 O9	387.07104	387.07144	-0.16033085	387.07098	10402	7472	8190	8537	17385	9983	2701	1994	19365	12821	4758	3252	42779	12775	4716	4264	0	28532	27196	8502	9211	21222	8597	4144	3718	3482	3221	1526	1513	0	1825	0	2319	0	13286	0	2372	3787	2467	7846	5323	4323	0	0	0	3609	10791	0	0	1288	12346	8366	12706	0	25748	19874	8267	2987	3149	2101	2551	3815	39223	22928	7864	28537	7215	2869	4078	10554	11012	0	1643	0	0	0	0	2396	17492	10146	16405	5554	2280	3803	35081	13722	13555	5088	6492	3950	3781	2941	4033	23118	32262	0	6809	9162	14972	24238	24045	4487	2678	2960	6178	4866	19662	0	4906	38667	Phytochemical	0.47368422	0.7368421	0.0
16	C19 H14 O9	387.07104	387.0715	-0.13992181	387.071	50399	54613	49524	53457	81312	48005	15239	10542	95511	148020	88539	18144	129258	37613	28458	24381	10988	107795	113406	85592	97251	138387	37550	19520	16776	46221	17669	39271	9630	7620	13790	7784	33014	10313	176751	9015	20708	29372	14418	61990	69319	28465	2312	0	422	50510	72171	682	14030	8899	63692	59910	57662	483	85260	72831	44472	27299	27203	19574	20008	46635	152946	91531	33774	101850	48700	14050	49881	49463	70019	13366	11405	2528	10511	10694	526	15208	54455	89659	38217	55992	15376	31505	100154	48229	53260	35084	42331	30118	28974	42499	0	135325	153116	752	62555	58870	70953	91330	86246	23386	14792	19529	49257	25620	59137	402	21167	141271	Phytochemical	0.47368422	0.7368421	0.0
12	C19 H14 O9	387.07104	387.07156	-0.11266393	387.071	20743	28288	23692	26208	31182	15861	6349	4996	43705	64384	53305	8173	42715	9696	9862	10575	6317	32331	36572	34002	38500	60692	11899	8814	2508	15458	7412	18351	4907	4074	2194	4329	10386	4813	80612	2294	9356	12038	5580	18217	54582	12062	618	0	0	24077	43151	350	5352	2853	23635	24535	20132	0	35718	29344	17024	10724	6323	11703	0	22137	63327	32254	12727	34902	14491	10281	24142	23905	47612	6471	4255	1674	6636	5698	0	6618	22609	34065	20682	20533	4079	10179	42945	16335	16255	15448	17015	27531	3635	12349	14417	64810	59969	0	23574	22890	34963	39790	35143	11115	8083	5694	0	8895	30448	0	7136	55958	Phytochemical	0.47368422	0.7368421	0.0
20	C19 H14 O9	387.07104	387.07144	-0.1353627	387.071	34169	29714	27246	29926	60761	28491	8653	5597	58473	54777	26545	10104	89708	34551	20521	7320	4352	85635	60096	31583	27757	58818	24809	15624	17805	18076	10382	15542	2041	2207	5994	6106	11155	4034	54780	4239	15920	15738	6635	21340	29613	16398	2686	0	471	26578	36492	1935	4717	2578	33155	32159	35686	888	58757	51150	27629	20051	13098	8197	12710	18219	95951	59258	21689	71882	28112	9232	19896	25665	33843	5801	1866	0	4760	5639	420	9749	42906	49504	34859	26641	7343	19407	66940	37633	40116	24369	25481	11172	11863	19233	13828	60782	68867	982	34940	26864	43824	63942	61482	7763	9354	8858	25255	12456	38004	1143	13287	95702	Phytochemical	0.47368422	0.7368421	0.0
10	C19 H14 O9	387.07104	387.0716	-0.027590739	387.07104	20168	18296	12256	16824	30982	9082	4986	8178	35779	56612	33548	7300	44656	8962	7396	6306	6142	25038	24460	22724	40432	31612	13086	7476	1940	9438	6380	9592	2046	0	3224	3580	4796	2024	72972	2778	4968	7124	9534	18598	32959	8500	0	1974	2862	9824	32584	0	3124	4130	23664	19800	18956	0	27670	29645	13260	8494	6064	9274	0	20320	52139	25548	14220	30562	13430	8598	32276	25114	43794	5684	2954	0	5456	1962	0	2848	24592	17258	16668	16026	3484	4794	46782	15649	19154	14548	14520	13608	7710	4722	9726	50232	33958	0	23292	15482	35686	44908	38219	8826	6394	4664	0	6396	25082	0	5014	35406	Phytochemical	0.47368422	0.7368421	0.0
26	C19 H14 O9	387.07104	387.0714	-0.1501532	387.071	7447	8140	6306	5602	15899	5588	1869	0	19789	7879	2080	0	28529	5938	0	0	0	29711	17665	0	8715	16557	7563	0	0	0	2349	0	0	0	0	0	3806	0	14918	0	2765	3940	0	3737	7593	0	0	0	0	0	9515	0	0	0	7005	9016	11931	0	18846	13467	6485	2314	0	0	0	3081	29608	18952	4887	22838	4466	2007	5505	7252	4639	0	0	0	0	0	0	0	10321	6111	12526	5532	2621	0	28112	9929	8081	5480	7664	2801	2673	3689	0	14050	20016	0	9415	6261	9692	15594	16348	0	3388	0	0	2032	12421	0	4328	36196	Phytochemical	0.47368422	0.7368421	0.0
22	C19 H14 O9	387.07104	387.0715	-0.1362312	387.071	18220	20483	15434	14495	38899	17946	5157	3061	39517	28777	10642	4193	43683	19987	6755	5751	2936	52452	31957	13203	22088	36106	13103	5601	5663	11475	4278	5033	1646	2504	0	0	6022	1717	25757	1467	4534	7551	3185	7201	11239	7163	0	0	491	9217	15159	0	1228	1417	17337	13573	21322	500	35554	30211	17250	5357	5281	5114	6415	7719	51664	36460	11184	42802	12484	3174	11730	12904	19586	2446	1803	0	2450	1696	789	2914	26394	23711	18795	11371	5086	6241	48587	20901	17885	12692	12738	5147	0	8890	7733	37781	40289	0	14525	16555	21929	45116	41688	5391	4519	6004	11912	5456	28255	0	7885	62445	Phytochemical	0.47368422	0.7368421	0.0
28	C19 H14 O9	387.07104	387.07138	-0.15173684	387.071	6724	6173	8060	7389	12163	6727	3079	0	11971	10693	3241	3509	26096	8570	4310	3132	0	23498	19703	5934	5526	12733	6684	2683	2205	0	3120	1897	0	0	1688	1129	2790	1206	12951	0	3760	2988	2497	3304	6019	3169	0	0	0	3568	6712	0	1066	0	6624	6772	9847	0	17710	11627	5043	2439	3293	2035	1733	2330	24330	13380	5721	19112	6878	1963	3739	4093	5002	1031	0	0	0	1017	0	3084	13374	8742	10536	4067	3071	1914	17476	8253	8537	4474	4621	3636	4342	6340	3972	15586	14849	0	7018	6227	11026	15781	17240	2851	2116	2098	3215	2816	10512	0	4417	22505	Phytochemical	0.47368422	0.7368421	0.0
16	C16 H18 O9 S1	387.07443	387.0749	0.042590134	387.07443	5508	5001	3464	7653	8786	7671	2176	0	9419	31200	11105	0	19931	3385	0	2346	0	10871	9883	9448	10409	22002	2231	2298	1436	2010	0	7738	0	0	0	0	3246	1383	36853	0	0	1618	2452	15702	5613	3780	0	0	0	2723	0	0	0	0	7010	4392	6667	0	10353	5323	1996	1817	7025	2219	0	13758	7408	8789	3532	8628	4940	2552	7489	6910	7266	0	0	0	0	1913	0	2695	0	8098	2028	3912	2354	4730	5963	3658	3952	4969	3730	0	11607	17342	0	23378	29431	0	8031	8327	7218	3908	4941	0	1391	3580	0	0	5632	0	2018	12397	Organosulfur	0.5625	1.125	0.0
14	C18 H14 O8 N2	387.0823	387.08282	-0.019847061	387.08228	33848	32536	22834	24470	58770	16136	8270	8094	35244	57692	32266	7456	48740	12472	15724	8328	19758	35322	33502	32668	65044	74842	14730	19632	13150	17728	8066	19578	3812	10046	8286	0	27974	6376	92534	8164	21706	7902	21686	56780	81280	11250	0	0	0	32700	47964	0	7504	7920	19426	24550	26906	0	49358	52970	16624	20700	0	0	0	58346	126764	52138	14974	42256	19838	23290	40140	34438	59216	7572	7422	2638	15722	10538	0	12378	23154	66534	14762	32032	11290	18294	35476	15556	32772	17724	18546	56128	26494	25208	48890	84804	72738	0	33786	23670	23130	40220	33262	6814	10734	18890	0	24350	15974	0	17708	60288	Phytochemical	0.44444445	0.7777778	0.11111111
20	C18 H14 O8 N2	387.0823	387.0827	-0.15406422	387.08224	10166	8112	4366	9246	9140	4825	4092	5464	9934	18186	6668	2596	13942	6074	4038	5360	4078	16992	7410	8608	7906	35808	7882	9470	3818	5246	2450	2665	0	0	4344	0	7132	0	25872	0	7902	3870	7056	25618	29058	7146	0	0	0	7976	26416	0	3666	0	6842	6976	12016	0	12834	9032	7858	4972	0	6782	4794	18394	20206	11704	6356	18226	7328	4396	3588	4826	11298	4270	2486	0	2958	0	0	2602	10624	28770	8836	7352	4526	0	15072	0	9706	7226	5972	9990	7990	12960	9474	44348	34038	0	12634	8224	6282	14724	13282	3342	4554	4590	7946	9078	5942	0	7920	20538	Phytochemical	0.44444445	0.7777778	0.11111111
16	C18 H14 O8 N2	387.0823	387.08276	-0.080021754	387.08228	6665	10492	9748	15639	13746	7725	4660	4646	16626	27333	15819	5070	17457	6155	5440	3305	11190	13543	20526	10962	28257	52719	7601	9965	3443	7627	4454	7824	3318	2980	1593	0	6545	1709	29886	1959	14151	7149	13238	26247	43698	4079	312	0	0	13589	25387	0	6797	4620	8272	9027	8009	0	13321	11671	5798	8103	5981	14926	0	22247	26379	11572	6888	18788	6755	16434	14050	15879	16558	1994	0	0	2251	1440	0	3007	12662	33696	4787	13439	5778	13742	15357	5804	13054	15339	10573	0	6440	13838	0	50488	50461	0	13824	14688	8801	17780	11205	7647	7716	4925	13786	0	10099	0	10310	24275	Phytochemical	0.44444445	0.7777778	0.11111111
12	C16 H18 O11	387.0922	387.0927	-0.102290645	387.09216	52651	44841	48409	45751	93822	62379	14007	17163	143418	50130	54519	28319	180262	33113	26082	22032	26651	136951	129605	44301	71203	73070	45520	17877	8561	3531	15475	0	16390	15373	17706	16105	41975	16627	67279	13079	37079	29617	18348	24255	41426	45741	1165	0	0	21914	29842	387	16875	24642	53128	51456	71081	0	195584	102571	48957	18310	25668	24461	17820	30658	247119	171997	38774	133310	54387	19113	20807	9495	18923	17285	18525	14708	21161	16290	208	23506	33046	28224	27411	19413	9259	4852	77818	35913	31034	44507	54321	21252	9645	26784	29572	72748	37096	0	61857	57566	97814	90896	73856	49299	24987	17904	23981	28056	81548	0	11576	265401	Phytochemical	0.6875	1.125	0.0
6	C16 H18 O11	387.0922	387.0928	-0.13010117	387.09213	9616	7637	7380	6400	12786	4824	2019	2567	19629	9399	7438	3747	34852	5137	3980	2966	5165	16068	20096	4129	8822	8837	5490	4059	548	1028	2179	0	1393	2228	3662	2261	6938	1874	9282	2380	3213	3659	5361	2746	4197	6809	0	0	0	1874	4287	0	3497	3345	7525	5532	9603	0	18546	21969	8167	3975	2328	4524	3256	0	36240	21526	7071	20515	9648	7016	0	0	3381	1855	2105	964	2327	0	0	2959	6162	3164	5257	1580	994	0	26021	7837	6004	8631	6290	5530	0	2884	5167	7635	6395	0	9375	9234	11041	34411	32909	4973	3814	3324	0	3809	16776	0	1818	35801	Phytochemical	0.6875	1.125	0.0
6	C15 H18 O10 N2	387.10342	387.10403	-0.079305165	387.1034	5542	5278	4190	6074	6558	4037	2310	4967	9751	2916	4291	5239	12572	1130	3090	5159	7108	11091	11626	3422	3627	5738	4817	4923	924	0	1563	0	3098	2849	3719	2877	5882	4792	4185	2275	5137	3287	4704	0	6193	7557	0	0	0	0	3645	0	4350	3803	7278	4026	6231	0	12430	10022	5062	5936	2034	4607	5010	2109	18137	14414	5967	10410	6032	8249	0	0	0	4255	3693	3197	6928	2318	0	2700	3663	0	3276	1141	877	0	7880	2634	2989	9935	9082	8265	0	1887	10462	4023	1666	0	4248	6547	6204	7852	9768	7920	3983	4402	0	6058	6158	0	1457	25056	Unclassified	0.6666667	1.2	0.13333334
10	C15 H18 O10 N2	387.10342	387.104	0.010546461	387.10342	22652	19028	16286	12780	22290	19326	7974	12492	23854	10802	12684	18864	41640	10992	17038	18070	20252	29782	31754	13882	20812	19176	19096	11336	7171	3680	6680	0	13846	14924	13762	15650	28772	11808	12632	9190	32086	15364	24892	9274	13252	24366	0	0	0	0	11256	0	13016	15018	16440	14966	22868	0	42140	23252	15898	12442	8122	14818	0	8076	51282	42226	25544	31638	22314	25838	0	5405	3482	11412	13784	9894	20603	10114	0	12726	8782	0	10508	4614	3146	0	16350	9402	12258	31706	24400	24104	0	7272	32446	10466	5642	0	16868	17922	18268	15924	18156	26254	17542	8418	0	22600	18096	0	6120	67412	Unclassified	0.6666667	1.2	0.13333334
8	C15 H18 O10 N2	387.10342	387.104	-0.06256678	387.1034	13364	9591	7464	13091	8045	6380	3386	7162	14245	4504	8003	7289	22303	3185	5298	7497	15198	14946	20491	5048	10923	10229	9777	9729	1251	0	3489	0	5866	4706	4437	5728	10006	5999	9130	4955	8648	6237	10639	3747	8721	12979	0	0	0	5297	7046	0	6538	7554	10809	11476	11231	0	20503	11001	7666	5888	5411	9020	7562	4413	28970	23849	8004	17055	11057	14577	0	0	0	6660	7199	5711	0	5808	0	6171	5513	0	5434	2199	1892	0	10039	4222	5675	13269	14212	14234	0	0	15172	8743	5030	0	6150	9700	6680	12668	12844	9941	9135	5633	0	12341	9197	0	2236	30819	Unclassified	0.6666667	1.2	0.13333334
12	C15 H18 O10 N2	387.10342	387.10397	0.054946307	387.10345	8960	13636	6834	13660	11284	15765	5046	14018	17030	6199	6450	15712	18380	4242	10228	7908	18304	31888	21574	0	19423	13508	17684	7092	3322	5497	0	0	6416	7402	4758	9576	17190	7098	7448	2653	14744	14216	11994	0	0	14498	539	0	0	0	10300	0	5440	9430	14444	9932	14158	0	25838	14248	13050	6364	0	0	0	0	37070	31482	7480	18804	14892	0	0	8264	7701	5020	8400	6282	6612	7660	0	10858	7916	0	8368	2723	1573	3569	17844	9486	9488	13448	14386	15264	4834	10014	16442	0	2710	0	14714	11312	9268	11400	15134	17644	10844	0	0	16714	14106	0	4292	41250	Unclassified	0.6666667	1.2	0.13333334
26	C20 H18 O8	387.10745	387.10782	-0.13305782	387.1074	15975	14704	16052	22106	26456	9173	2470	0	26616	42664	14271	6290	45075	11404	7902	0	0	36729	30624	26509	29845	34582	10286	8947	0	24579	0	11316	0	0	3147	0	7116	2727	43114	0	5215	5804	3984	16655	18197	7274	0	0	0	13688	18942	0	4543	0	16462	13346	16728	0	27231	26052	8313	3844	5150	4191	7081	10150	42246	22113	6844	29121	7975	3434	35659	45758	48749	3631	3101	0	0	5035	0	4097	16025	19812	17771	11468	3221	11335	27542	15234	14325	8477	8660	6284	9781	9938	10351	30576	53940	0	14307	16077	18526	30840	26056	5017	4866	0	11933	6412	16114	0	6475	45081	Phytochemical	0.4	0.9	0.0
20	C20 H18 O8	387.10745	387.10785	-0.13853969	387.1074	132804	147495	133777	117317	162682	111420	39519	54154	161734	349923	191061	38499	224356	107255	65379	61651	36386	206679	181972	271680	271593	205402	82694	72549	52312	298469	38170	161013	46668	40954	41648	40378	68384	44177	403631	35546	80702	54069	31781	197085	161758	53515	6561	1574	1284	148963	161836	3403	49084	38048	125831	138019	121457	1753	161341	135729	77747	71452	59280	39516	55442	134353	237465	153705	71167	174186	94601	37507	275559	370862	369945	46119	40189	28408	32254	38365	1099	42513	115347	142342	93102	126058	49588	159808	175847	98747	92794	76902	73157	51581	102836	110542	79544	175723	215676	3754	121109	115136	139163	163906	152971	63461	51157	63770	111927	58844	127248	2367	56107	249080	Phytochemical	0.4	0.9	0.0
28	C20 H18 O8	387.10745	387.10782	-0.20193216	387.10736	12886	10589	9957	8348	16498	7972	4136	3051	16572	29186	10302	3703	24899	10654	5150	6790	3081	19254	19919	15194	21781	17813	7040	5753	4656	16869	3082	9247	3960	2320	3047	2122	4646	3507	26999	2106	4936	4730	4024	12200	10991	5334	1153	0	0	10130	11753	0	3104	4461	9994	10629	10802	0	16726	14626	5321	5481	3732	4970	5261	8715	22969	13867	5542	21292	6327	4811	21074	30577	29262	1815	1729	0	3126	2906	0	3914	12969	15960	8890	9098	3610	8369	21844	10786	9024	4721	5977	4479	8145	7400	7382	15940	24404	0	10987	12801	9743	17598	15627	4142	3952	5170	8497	4944	8629	0	5650	18693	Phytochemical	0.4	0.9	0.0
16	C20 H18 O8	387.10745	387.1079	-0.10547599	387.1074	197845	221501	191565	201015	194062	130938	89496	96905	210102	599952	329705	79014	253908	116657	111502	114877	77262	248515	266958	448145	430279	304429	128155	120471	86938	504556	72716	251259	89182	82746	99546	97693	125084	74061	722043	73199	120671	87936	88097	318041	271881	83276	5816	1170	1518	226265	257670	2127	103184	74335	206018	224881	148091	1396	207153	154363	110823	129784	113425	86926	129105	208498	299929	190247	90599	218804	124837	84726	456976	672508	652650	90549	80710	64458	66958	87169	1223	78273	167615	224027	127511	221873	94982	230309	227038	113194	151644	105965	121557	136764	141813	159089	195581	270780	366937	2409	198611	184666	199699	181271	179474	115811	70085	111772	167266	116891	156808	1338	105526	283446	Phytochemical	0.4	0.9	0.0
22	C20 H18 O8	387.10745	387.10785	-0.15772721	387.1074	58086	61641	58661	64568	88154	46373	17033	22337	96914	159933	79126	17883	101479	57015	25465	21487	16135	104498	79316	93838	109699	102866	40067	28438	27190	136144	17692	70975	16496	14407	16408	17731	28892	15419	164440	14885	30567	23041	14503	86075	66759	27255	3155	0	1492	71162	77540	0	20537	13000	62371	59071	59171	1929	81834	70157	40739	31301	26389	15258	24793	61601	121276	78785	38293	90579	47088	11320	120718	182295	181117	12547	10540	8567	9267	14463	1195	18142	64598	62465	46556	59373	23135	62276	99886	55877	51593	37650	32360	24695	33286	50447	36032	85905	123065	0	60662	62431	72643	84361	79732	23921	16050	25657	53625	24416	65761	0	24112	122581	Phytochemical	0.4	0.9	0.0
14	C20 H18 O8	387.10745	387.10794	-0.09540161	387.10742	151932	161107	143375	138621	134258	86448	78222	101043	144051	393096	267392	74467	157104	76333	85909	98002	73931	156903	157204	265288	320196	254734	95240	101467	67211	333606	69122	182479	70018	72861	66505	86938	102204	67487	479548	69645	90096	76929	77257	206945	228025	69320	4154	792	689	163819	211341	955	85467	78164	142327	155278	98233	779	128025	110949	77846	110648	102627	94398	118118	163053	192648	131906	62771	142244	84913	81502	375158	417209	484812	73328	68239	59653	61964	81792	738	60862	126328	157351	110047	165844	76374	149935	150343	80513	108932	86745	81661	127255	95748	113517	114754	187425	211314	1945	149816	130845	126638	133248	117543	84446	72234	112504	170629	79042	108685	692	73557	159664	Phytochemical	0.4	0.9	0.0
12	C20 H18 O8	387.10745	387.10797	-0.10674014	387.1074	93244	96062	86542	92241	61471	38231	53641	61947	67336	210503	151371	42352	72423	33592	46741	65468	46264	74233	83841	169965	164159	147893	55762	62472	33084	165637	47184	96540	40703	48607	47103	53929	64527	45708	242834	47976	54495	49159	56370	125421	175220	43270	1616	536	513	108604	151601	764	64376	55320	93715	98256	52783	0	88136	52980	36707	71676	59661	73380	71035	91657	108307	65545	31751	79191	42748	51902	207684	207816	553124	49810	47210	47137	44393	53071	452	42645	75987	90464	64935	81450	45359	76998	80461	39848	66420	39805	43662	78415	54028	58740	68683	96303	115409	1401	95522	98585	77713	61255	59193	54759	47538	59436	89982	50050	59063	0	49080	87264	Phytochemical	0.4	0.9	0.0
18	C20 H18 O8	387.10745	387.10788	-0.11287176	387.1074	194960	237684	197413	200964	230370	144200	62909	94855	225648	639610	352857	65144	318086	138545	97935	111968	56666	276376	302338	425171	433379	318039	122483	101192	83929	463983	68896	274381	78364	62155	74704	70504	123291	82828	678127	71861	135903	83710	70319	329499	244987	89651	7996	1034	1467	261210	237292	2209	93714	80180	211678	198015	163739	1857	251925	187086	110178	125458	94804	67204	111020	229443	341298	193976	108061	240782	138784	72674	401906	607478	613252	76983	62148	41643	57831	73140	1232	68377	157831	209511	129193	218053	86484	215550	251835	148577	148620	111730	126521	98554	160145	182266	157595	246300	366460	3130	208218	176204	223672	210058	192055	109014	67529	113896	147773	96229	162521	1431	86982	307716	Phytochemical	0.4	0.9	0.0
10	C20 H18 O8	387.10745	387.10797	-0.07631103	387.10742	43579	39545	33849	39118	29287	19999	22581	26859	35646	93075	62205	24090	33570	23535	19673	30821	27960	34563	40050	77573	79158	53579	26731	29357	10066	82829	25666	34702	24116	27953	21351	29753	32704	19239	111865	20992	27859	25342	30390	50740	65771	15141	1239	0	389	35487	59141	522	27069	25357	38442	40284	21260	372	38327	26181	16048	31310	24640	33576	27241	34640	43319	33613	14788	28540	20788	37245	98539	99319	128199	27942	22042	19083	22087	24184	0	21516	37273	26830	32409	40583	22647	32406	37608	20511	31171	18638	23473	39569	23781	28422	38137	47603	55892	704	40049	39985	35820	33293	29975	31811	19253	27932	36674	29351	26339	0	21106	32879	Phytochemical	0.4	0.9	0.0
24	C20 H18 O8	387.10745	387.1078	-0.17193605	387.1074	29351	27288	22731	25510	43588	26900	5638	9272	39438	63805	31628	9513	60938	26734	11722	15993	4313	48813	39517	43181	51074	53083	19002	12335	8009	51400	5342	21180	4630	3649	5530	6726	11791	6182	74647	6358	11711	9462	5332	37350	32704	10035	2640	0	0	31513	38264	0	4959	3974	30307	19641	25380	0	44091	39728	15453	12629	9174	8470	11292	22539	61369	36865	13434	45510	15620	7339	53104	70870	90099	7090	6512	2674	5503	6046	0	7014	32110	33688	27111	26332	7818	24732	59204	23789	27818	13520	15752	12675	12219	14568	14064	49502	74634	0	24897	27136	25811	43060	37462	12104	6638	10755	24389	10463	31933	0	11427	59921	Phytochemical	0.4	0.9	0.0
8	C20 H18 O8	387.10745	387.108	-0.15836778	387.1074	15003	17658	14306	12841	10167	5791	5903	13416	13395	29476	20147	8482	11451	5858	8482	16759	13007	11771	14725	32469	33758	21311	10792	16387	6271	22714	8756	16293	7270	10270	9534	11570	10571	9045	42143	7619	9113	12203	13953	22485	26030	5726	532	0	433	17532	22002	0	12166	10721	14264	16528	8943	0	10760	14296	7807	11383	8830	14427	12351	13444	14098	12823	7173	10798	6643	12217	28780	30497	51133	9990	9326	7689	7868	10520	314	7024	16026	8964	13361	12824	7184	9485	14583	5867	9146	7481	9103	16923	0	13224	11590	15762	13902	578	17465	17544	13334	15284	13260	13707	8582	11738	11203	11338	11765	0	7530	13598	Phytochemical	0.4	0.9	0.0
18	C17 H22 O8 S1	387.1108	387.11133	0.07188721	387.11084	15516	24094	12621	14971	13450	12188	4322	4869	14100	28735	13777	14878	16003	6098	7347	7766	5484	20075	14676	21955	15999	27478	7281	19620	9855	6766	7611	11559	8260	4834	18812	7694	5963	6427	32438	7495	11023	8406	8688	25120	30606	17198	484	0	0	9812	9801	0	8434	6607	12432	13524	12747	0	13994	23938	6396	11017	14811	6477	25152	18369	24452	11764	7202	13483	10343	5028	23728	18537	6562	9559	6578	4961	4618	4703	0	3101	11089	12342	4245	8149	11338	11593	30094	15316	6558	10186	9375	9205	34592	44692	17099	14420	31739	0	30904	15579	8112	6052	11384	9410	7317	28838	11440	19024	19252	0	5875	21061	Organosulfur	0.47058824	1.2941177	0.0
10	C19 H18 O7 N2	387.11868	387.1192	-0.09047059	387.11865	85138	40502	79324	36348	33156	19139	19388	23608	32073	97836	65706	14197	47861	22041	14678	27403	27582	29548	40591	88850	107708	72875	20393	30481	37266	142662	15839	37821	15937	13945	15884	21308	33059	15624	124477	12399	31261	18370	28126	81502	112415	14934	0	0	0	52152	91485	0	22205	15881	40868	40857	26733	0	43055	56672	14543	25310	20339	25918	20373	54041	42004	31445	11526	35232	21292	33036	106664	129563	173626	15484	15160	10632	14489	17686	0	14412	33403	47335	23341	40770	38416	46200	36493	19394	30483	21970	16547	41237	24350	35628	45865	69299	77868	0	45658	34298	26954	32347	64816	48320	14458	25917	36495	29316	24782	0	19201	48160	Phytochemical	0.36842105	0.94736844	0.10526316
12	C19 H18 O7 N2	387.11868	387.11917	-0.1114267	387.11862	37256	43732	47918	45996	38513	48782	26575	29257	46638	105725	62560	16296	50016	20240	23280	27654	29041	44836	50626	93039	110611	83530	24356	33852	21443	88320	25969	48435	21547	14758	19216	16912	34262	22142	136883	16695	23828	21284	32080	103173	130834	20181	715	0	0	63331	203820	0	25665	19563	42488	40288	29241	0	89058	30428	18296	69886	23834	38808	22833	67071	59502	39457	17011	44080	24108	41506	106953	153066	199736	18731	15119	13151	17879	17618	0	14274	47054	64740	29132	48992	28348	54059	38372	19898	47095	24620	20267	75677	86660	50643	54487	93908	77176	0	38912	47146	36569	38036	34417	28760	18993	30582	42279	34641	29187	0	26211	59096	Phytochemical	0.36842105	0.94736844	0.10526316
20	C19 H18 O7 N2	387.11868	387.1191	-0.15397935	387.11862	11138	14065	16312	14067	11207	8357	6888	6782	8883	26970	18177	7104	11216	9119	10149	6585	9609	14022	13471	16027	27887	35336	7010	9948	8208	13941	8838	16848	7074	5050	11635	6815	10698	9851	25984	9098	13918	6379	8789	35135	30956	8049	0	0	0	19956	25886	0	10316	6765	12822	17015	9113	326	8466	8141	7486	10271	5671	9080	11321	21064	11758	7245	6200	12830	8407	8712	24923	18368	36140	9678	9437	5463	7834	6425	0	0	15783	30336	9323	16026	8528	21097	11986	5628	16194	13372	11358	20326	16905	22176	20670	33827	30213	0	16674	13689	5942	8858	4198	10899	5744	13712	17525	10049	8378	0	10867	13271	Phytochemical	0.36842105	0.94736844	0.10526316
6	C19 H18 O7 N2	387.11868	387.11926	-0.13124813	387.11862	15027	15262	12356	13404	10110	8356	4599	6354	14543	39137	25784	4585	22403	5569	5309	11885	7137	12920	14904	27707	41935	25234	7937	8515	4765	17841	5113	17991	5137	4268	5969	5949	9726	4466	47316	4256	9242	4779	10583	20343	37388	4909	0	0	0	19890	34672	0	7946	4250	11506	12669	9474	0	15807	14582	5273	6996	6527	8638	7577	20894	19734	16234	4196	16426	8847	8500	32991	33913	61650	5433	5472	4411	3146	5141	0	4933	8371	13959	7366	13459	4762	11224	14843	6779	10350	6908	6795	14374	9718	11997	15954	23822	27876	0	13176	13768	9147	17927	16346	9596	3734	9456	12591	9154	11234	0	4250	22270	Phytochemical	0.36842105	0.94736844	0.10526316
8	C19 H18 O7 N2	387.11868	387.11923	-0.11126426	387.11862	24721	35771	44202	31434	23371	13639	10790	12764	53340	75106	41235	9699	32801	11249	11687	18387	11948	24219	28945	61536	78335	57707	13927	21448	9812	36678	9862	30322	12023	9205	24120	10785	15207	11751	94790	10372	20443	11726	19442	53243	79461	15734	0	0	0	46070	62448	0	15486	12219	25312	29581	15667	0	26042	22187	11306	14838	9145	17698	14390	42322	40764	26168	9808	25003	29704	20007	75227	81884	130842	11353	9777	8946	9794	9300	0	8814	23020	33615	17177	26576	9550	29059	24336	9730	20012	13160	14964	29006	15165	24311	27010	112762	52424	0	28853	28369	18823	26578	27516	13808	9388	23199	19032	16002	19312	0	13375	34360	Phytochemical	0.36842105	0.94736844	0.10526316
22	C19 H18 O7 N2	387.11868	387.11908	-0.1426964	387.11862	6864	5843	6637	5840	5546	2753	0	2225	5184	8985	7240	2342	2645	0	4023	4569	5662	3677	5105	3646	8425	16066	4488	5376	2447	2731	2967	5543	3094	1412	2497	0	4155	2544	13848	0	6344	4676	3944	10680	13092	2443	0	0	0	10138	13099	0	4435	2503	8284	2826	5733	407	3226	2603	2290	5544	2767	3036	3518	7518	4269	5901	2739	3556	6467	3813	5459	4826	10679	2165	0	0	0	1594	0	2544	8293	16094	7015	7681	2565	7015	5487	3234	6936	4941	3435	7972	7134	6616	10334	16309	22113	0	6394	4965	3663	4147	4884	4490	3724	6307	4632	6573	4710	0	4737	5762	Phytochemical	0.36842105	0.94736844	0.10526316
6	C17 H22 O10	387.12857	387.1292	-0.15695485	387.1285	48772	50836	21193	21035	31832	16208	29118	30956	24550	27890	50148	32296	28520	8266	38576	30496	31698	29634	64028	22366	34162	20152	52254	58544	15028	1668	16652	0	24582	28920	25426	48584	57984	20791	56912	53672	20090	31989	35134	0	57920	31196	0	0	0	20316	20574	0	27862	30794	20724	43488	36246	0	65872	22066	24592	17164	16516	49400	26504	16884	28784	62116	13924	23892	23510	33212	10432	12744	0	41179	50760	54312	29779	33367	0	19271	15956	0	20464	20359	14108	7508	58238	17354	38120	32810	20048	71526	0	15778	51920	21546	22787	0	50200	43692	16134	49013	65080	52796	17678	21618	0	21322	24089	0	12390	67629	Phytochemical	0.5882353	1.2941177	0.0
8	C17 H22 O10	387.12857	387.12915	-0.11925662	387.12854	416412	535686	721848	512412	546738	301236	264408	466956	462096	1180680	908256	729444	1101300	165252	688608	461982	820128	458844	603366	1150464	678456	936984	443064	442529	149880	114540	610752	178692	359700	726432	643056	837888	753744	363828	1371354	792588	872832	363234	940632	369655	521076	380934	5580	0	0	382104	892704	0	516444	818712	487164	875976	684288	0	687228	397752	524880	690888	790560	469512	485724	552912	1241856	1108056	228924	727656	600216	447930	208920	244368	319890	404106	854718	434664	487656	438438	0	326040	869238	195732	709626	432876	500016	177360	441996	226044	322110	307680	690738	388884	191988	250788	840024	696096	319146	0	494280	989376	704016	469638	480360	845722	647586	524316	173844	729480	378408	0	464616	1237668	Phytochemical	0.5882353	1.2941177	0.0
10	C17 H22 O10	387.12857	387.12894	-0.15878032	387.1285	94923	84236	84067	77165	134308	59079	51608	90059	208648	290976	99912	61603	227210	32427	61898	84860	67989	124318	116920	133682	251684	101965	81912	89198	37103	27571	119182	43108	65101	79412	69915	73116	100249	69346	388920	82298	97873	67122	73351	153174	82992	62124	1793	0	0	67133	77740	0	150214	68136	172384	161244	66608	0	164736	77677	45483	77084	102100	131050	95599	135964	233414	117627	46817	180038	69342	75485	63730	47228	55573	79731	71084	69612	121182	60599	0	62362	155434	50242	70822	90752	44046	33556	162814	50489	109846	101152	62875	120242	39772	79068	171776	82599	161854	557	82128	90850	70150	154522	71422	90910	55619	94453	63377	67801	134134	0	79444	137964	Phytochemical	0.5882353	1.2941177	0.0
18	C18 H23 O4 N2 S1 Na1	387.1349	387.1354	-0.01348384	387.1349	9631	9990	6074	6062	5269	5237	5743	4765	5850	8679	9153	6696	6784	4132	4701	9629	7950	7762	4404	8390	12074	10910	9373	5917	6238	11122	4830	8640	0	5245	8949	6504	11377	8023	8788	3529	10299	5677	8132	7933	7267	5929	2468	0	0	3633	8659	0	8611	0	6131	7439	9818	0	3199	2434	4068	11106	8055	7519	5239	13236	4012	5806	6768	2663	7586	6070	6287	9886	19922	10637	5752	3336	28237	8264	0	4151	6976	4272	8745	2674	5834	4853	4872	6103	8092	8213	6257	3698	3333	6126	9271	0	9169	0	8218	5499	2893	2841	2540	10197	4623	10168	1757	9365	5891	524	7966	4743	Organosulfur	0.22222222	1.2777778	0.11111111
16	C20 H22 O4 N2 S1	387.1373	387.1382	0.7249184	387.13757	0	14422	26144	11770	0	13348	12524	20422	9064	12660	8428	13096	21592	7220	17300	21157	20972	23300	25644	34722	21205	16472	18364	22051	20075	8598	23150	12288	20014	18368	54185	13836	27430	17786	15168	18818	21494	28244	20360	14662	30612	24857	2832	0	0	28473	10514	0	19960	21074	18192	1997	10008	0	17284	17232	13780	18004	16457	19468	0	32368	42238	16478	8120	10378	24048	16054	33340	10006	24974	33304	23398	16168	48282	27699	0	16378	26762	0	24386	8386	21482	10484	19528	7116	12980	31706	17588	0	20034	12500	0	12778	13144	0	12412	14738	13640	16340	6324	23698	12284	16692	0	0	26160	0	20492	17652	Organosulfur	0.2	1.1	0.1
12	C16 H22 O9 N2	387.1398	387.14032	-0.10865439	387.13977	35302	38019	40537	38469	21253	26410	31731	52493	39583	27703	25641	31899	37356	12102	53815	48226	40260	65462	56945	33252	35338	59300	50258	48482	28827	9506	24612	13501	56810	37703	42481	50688	58220	41554	39240	43909	53788	43724	45845	32930	28322	33003	0	0	0	26160	24803	0	48856	46196	47568	39989	34764	0	67469	21984	19802	59678	49770	25156	50956	24605	50854	43168	16410	42591	32953	46924	0	9056	13982	43256	40036	43896	26837	35788	0	36888	34837	18000	32427	18031	20276	8385	28466	28139	30591	27244	38771	52448	33436	45450	82137	25881	15413	0	44058	50611	16790	11022	14006	62450	39695	38804	30243	56143	23189	0	24848	67010	Lipid	0.5625	1.375	0.125
2	C16 H22 O9 N2	387.1398	387.14047	-0.1894784	387.13974	9233	7540	6994	7476	11166	0	3620	8455	9603	4734	4197	6986	21220	3685	4979	1374	7673	14902	13590	4608	9812	12173	6783	5988	1307	0	0	0	9992	5686	9709	9451	17643	8163	8951	8130	10925	5225	7789	5129	3381	16350	0	0	0	3899	3320	0	9850	5658	10438	9334	10492	0	12557	6521	4400	10546	4236	4939	3696	1906	23610	15800	5077	16781	11053	11903	0	1215	992	10230	8886	7396	418	7875	0	5879	5137	0	4943	1318	1910	938	7325	4615	5791	11936	11725	11936	3997	5095	13960	4396	464	0	9455	8498	6266	9935	8139	6415	6287	5536	1970	15943	4560	0	3270	29121	Lipid	0.5625	1.375	0.125
4	C16 H22 O9 N2	387.1398	387.14044	-0.19761865	387.13974	11065	11297	12271	13944	10294	6868	5946	12168	12693	6459	4744	9300	19263	3838	9003	13516	20704	17642	16262	7707	9094	15338	11061	13926	4482	345	6757	0	9998	9841	11871	10922	14106	9569	9374	12959	15018	8397	27292	5560	9352	10333	0	0	0	5664	9231	0	11127	10916	11683	11477	9812	0	15350	9776	7270	13410	9309	12986	11558	4404	21411	15957	9532	14634	11635	19761	0	0	0	11336	10722	14003	4522	9953	0	8229	7752	0	8271	4320	4595	1175	14051	8264	7607	12364	13134	17761	5753	8606	25584	5179	5281	0	9857	14499	7454	13448	11862	15607	9836	13231	6747	14901	9763	0	4747	27814	Lipid	0.5625	1.375	0.125
8	C16 H22 O9 N2	387.1398	387.14035	-0.18140957	387.13974	56772	59420	49026	51556	30661	27942	27679	59298	45879	32513	26858	44334	60236	13465	47031	64063	64505	58187	66618	37027	44311	72499	61340	61679	24321	2118	31194	16387	55956	45894	52942	53804	72899	50800	57149	57703	69973	44076	69619	28318	41632	42258	0	0	0	36818	42542	0	60327	52369	56683	53383	37272	0	73231	29425	31629	56634	51620	47276	69168	27422	63512	58650	28655	51366	45212	80576	8259	7797	14224	52201	54955	50666	34939	44786	0	41675	37952	22702	32675	21566	25295	9526	38039	27730	36279	48074	50045	76005	30397	53529	105564	30123	34231	0	54260	59395	31753	31916	29832	71509	44739	66186	25255	68239	29559	0	31465	75171	Lipid	0.5625	1.375	0.125
10	C16 H22 O9 N2	387.1398	387.14032	-0.11855341	387.13977	65028	54679	53390	53893	35877	40389	37868	74665	51969	34014	24501	49363	59117	16383	60766	73939	56867	73869	76909	47955	49533	71982	64840	71341	31761	0	34482	16172	68712	57514	57878	58241	85222	55198	59200	56470	84048	52051	65143	37898	39079	48026	0	0	0	37152	34142	0	61997	56678	57710	57814	42924	0	93572	27999	27673	71370	77888	45512	79394	34630	60738	61293	31250	54471	48375	64025	0	9562	8283	60731	57217	57601	41109	48905	0	51854	42965	17311	39468	25864	25067	10713	32408	35012	42445	43758	50210	67145	37821	59121	108473	28553	29117	0	62808	56748	27340	25777	28506	83244	49570	59205	34253	73886	28121	0	32211	82359	Lipid	0.5625	1.375	0.125
20	C16 H22 O9 N2	387.1398	387.14035	-0.1159721	387.13977	5144	17976	12618	9030	9572	8174	4304	8202	0	10786	11622	7692	13104	7912	3378	7500	1973	16516	5072	19776	7766	11918	5000	7206	9648	0	5503	12200	9664	10330	9852	11000	7800	12712	12634	7598	11876	3432	4754	13932	12412	2097	1882	0	0	3608	7460	0	0	0	5808	5004	8338	930	6330	4470	0	8316	10472	13048	7819	0	6774	2978	5742	13774	7596	8402	11726	7064	11036	3703	13082	9406	30518	9550	0	8096	4156	8186	4864	5844	5694	0	3818	5446	5476	13538	7712	5946	0	5016	9325	3140	6075	0	10030	5344	0	0	5312	5110	8756	5644	4086	2099	5164	0	8544	8804	Lipid	0.5625	1.375	0.125
6	C16 H22 O9 N2	387.1398	387.14038	-0.16425687	387.13974	35360	37604	32941	32600	21873	18984	18510	41042	34943	18993	21796	31123	39924	10310	26753	47522	49327	45808	44952	20595	32048	47202	35512	46986	12594	1701	19401	6457	37160	35836	38516	39562	54701	31495	28160	36866	46226	25668	59285	15715	26769	28034	0	0	0	24507	29108	0	47162	33950	36402	36976	25987	0	41469	19451	19813	44109	29204	32853	37990	16086	46608	36740	16725	38024	35944	64543	3647	4327	4811	33940	33490	36448	20460	29850	0	23743	23638	9481	18482	10232	15428	3950	22524	19967	26026	35058	36351	56123	19467	35262	64907	21201	22649	0	33709	38227	16880	22901	23354	49860	29365	40474	14756	48622	20353	0	18096	62975	Lipid	0.5625	1.375	0.125
18	C25 H22 O2 S1	387.14133	387.1416	-0.24641709	387.14124	9631	9990	6074	6062	5269	5237	4573	4765	4584	8679	7175	6696	6784	4132	4701	9629	7950	7762	4404	8390	9441	8719	9373	5917	6238	6603	4830	8640	0	5245	8949	6504	11377	8023	8788	3529	10299	5677	8132	6380	5283	5929	1640	0	0	3633	7443	0	8611	0	6131	7439	7973	0	3199	2434	4068	11106	6811	7519	5239	12158	4012	5806	6768	2663	7586	6070	2844	6450	12129	10637	5752	3336	28237	8264	0	4151	6976	4272	8745	2674	5834	4853	4872	6103	6156	8213	6257	3698	3333	6126	9271	0	9169	0	8218	5499	2893	2841	2540	10197	4623	10168	1757	9365	5891	524	7966	4743	Organosulfur	0.08	0.88	0.0
24	C21 H22 O7	387.14383	387.14417	-0.12934093	387.14377	91567	95343	87560	92774	105536	66982	27807	53735	102647	182473	112335	39163	163117	68893	50560	54342	37812	116595	130952	166319	174315	112916	66808	66293	38536	228128	22692	92810	38080	36834	36535	42635	56729	41659	220701	46400	73413	41888	32622	126285	118369	47444	5882	2242	0	93608	94457	4381	52749	46669	89056	88262	75013	0	119729	103911	44401	62747	43763	31654	60351	87431	150829	89763	39001	125505	63103	41714	209341	304478	313545	43629	39974	34498	31991	38285	0	40919	91079	68747	75749	75019	35067	94734	136682	60256	76708	46636	56545	48855	61116	55529	77189	86447	114022	3652	80871	90771	76082	113383	109363	45327	37126	60706	63224	49705	74900	3615	44249	143347	Phytochemical	0.33333334	1.0476191	0.0
10	C21 H22 O7	387.14383	387.14432	-0.1804022	387.14377	69105	61214	50381	53533	30878	27281	42929	67503	39602	84207	56917	42305	34176	26219	37540	64911	44174	33870	38791	97500	88808	60195	45657	68495	32054	101859	54354	41434	50339	55054	50285	58250	56156	37695	84946	52583	50209	43434	65556	73769	84397	28188	4001	1120	2074	63350	65154	2603	59617	58578	54576	67277	25105	1727	42584	27354	22932	59754	53268	58897	56205	44472	32653	32646	22886	33402	26938	68592	100089	105164	285588	47087	52582	50740	50298	58190	2094	40596	58857	36106	59166	50178	50103	47056	44908	18659	52796	26166	30562	65494	38472	42733	53130	50030	52309	3258	61302	60609	36640	30156	32917	53027	44297	61766	38053	43567	31929	1383	44707	35150	Phytochemical	0.33333334	1.0476191	0.0
8	C21 H22 O7	387.14383	387.14435	-0.2408875	387.14374	20324	25237	13779	21395	9276	6707	15545	19644	11271	24137	15516	14158	11263	7472	15063	24484	22640	9121	14859	30586	30538	22094	19159	23616	10832	51200	16911	16765	16350	18596	20523	22034	18352	15806	29220	18092	16812	14662	22306	24594	29925	9392	1486	821	1594	24872	28584	1420	22790	23422	19828	19511	10052	1193	14154	11408	10143	19828	14697	19185	24382	16905	13898	11589	9024	10296	8277	23243	29052	31417	47473	17125	18870	19968	17039	25841	1043	12838	20741	10117	18631	19139	21298	20291	10946	5419	21266	8861	11596	23519	0	17676	19826	15174	20046	1974	20570	21177	13777	13663	12420	20969	14855	23816	14233	17630	10878	1231	17157	11560	Phytochemical	0.33333334	1.0476191	0.0
22	C21 H22 O7	387.14383	387.14423	-0.09757	387.1438	263452	258419	231076	248351	257429	191118	84374	154371	287095	603577	351748	99174	293352	183618	155368	156125	108239	339953	273096	542928	537857	320426	175006	167143	161352	703224	75627	340092	140369	111958	130043	128512	157349	131008	663833	119037	190867	124013	97543	367647	292754	119645	13547	0	3640	269894	254651	4735	142042	148197	243853	249842	203418	4778	263437	237445	135225	163875	133123	105163	163995	263900	329700	229903	115906	280208	164980	109808	613108	964487	867773	139915	112119	101699	74975	123668	3785	111601	209238	182401	180701	191870	110541	268530	281311	157315	181168	140002	163060	132641	204568	204193	198037	230134	322111	6577	228539	226198	214146	251356	228836	146721	100289	175166	181439	146925	199921	3590	140873	392931	Phytochemical	0.33333334	1.0476191	0.0
28	C21 H22 O7	387.14383	387.14423	-0.17852785	387.14377	22541	18486	18617	16594	24122	12158	6813	13038	22194	39967	19007	8417	41031	15305	10508	14384	10293	26696	27111	36254	36442	21484	14433	15715	11600	42551	8293	21907	9676	9276	9945	7940	12481	9430	43221	11523	13576	8663	8965	21092	26349	11932	2284	0	0	18734	22703	1205	10606	10392	18141	19147	16664	3935	24590	25004	8768	14327	7226	7757	14083	15189	30925	18950	9862	30689	12787	10777	50861	68294	79390	8410	7137	9082	7704	10334	0	7715	19304	19071	15572	14460	8374	17082	33037	12418	17365	12289	11653	10503	13695	15861	14317	17210	24450	2336	18605	19648	15250	36270	30830	14791	8852	11602	10562	12392	18362	0	8502	30376	Phytochemical	0.33333334	1.0476191	0.0
12	C21 H22 O7	387.14383	387.14432	-0.17142056	387.14377	161796	184304	157970	156292	81058	61371	131840	171267	100201	202275	170560	99696	80431	53122	101109	167928	131534	90180	117676	263923	235171	178607	120080	168276	92003	549860	114949	131195	117810	134688	124206	138720	142824	111481	234055	127849	117728	103892	148623	176987	229294	70684	4421	1756	2033	168066	184543	2542	153034	150379	174106	167960	74361	1344	91653	76803	69001	162956	112825	167028	186479	123735	112537	86820	50619	95164	72752	162882	326645	656016	768166	123664	117588	133188	124204	139821	1700	92819	140330	94593	134092	134893	113490	123764	102778	62339	129181	64955	75178	188204	121356	126969	148979	111558	145227	4395	178214	158828	104677	91869	81073	143445	89494	153750	121378	112066	78089	1871	106103	107859	Phytochemical	0.33333334	1.0476191	0.0
26	C21 H22 O7	387.14383	387.14426	-0.14645793	387.14377	37992	38871	34491	35063	51175	27351	9820	23818	48165	73133	41799	15382	74477	27381	18724	22729	15813	51927	56349	63612	86190	45613	29476	30204	16898	89561	12452	40379	15659	17863	17295	19118	25262	17685	84286	14139	24642	15483	16973	49059	56469	18818	0	0	0	35906	44358	0	24312	17009	35754	41343	32043	0	60174	46939	26063	28593	15415	15614	27710	31258	65729	43264	15572	57088	26092	16192	107655	125187	151332	21106	15203	15437	12330	14638	0	16790	36173	32061	32513	23789	19077	37046	61406	30630	32560	24371	26125	19212	22408	22780	30832	33453	57328	0	37929	33911	31021	54717	49139	27782	15830	24579	24115	22814	34243	0	18051	60773	Phytochemical	0.33333334	1.0476191	0.0
18	C21 H22 O7	387.14383	387.14426	-0.09779953	387.1438	616113	629564	577011	549844	530617	361123	260011	498151	502401	1276995	799140	280817	625800	324730	394430	473123	286340	581503	634868	1268011	1230236	616432	440959	495288	314672	1759203	259046	730977	396008	372983	424363	397275	479623	409311	1311485	361963	457503	350826	316118	918625	794714	300871	16234	3237	3692	581764	552967	4119	462761	388481	632729	616424	387459	3942	514470	430224	302090	503622	367626	322694	449137	592008	665952	435308	246301	531635	360177	355103	1495257	2097383	2277120	409275	335270	356598	276360	435907	2829	317848	542109	395984	476842	487366	340629	621180	545191	338314	463949	323254	356497	421036	482957	482146	563296	418381	631536	6929	580559	531896	476960	471503	434949	397596	300105	465395	335898	378008	372482	4429	380781	602639	Phytochemical	0.33333334	1.0476191	0.0
14	C21 H22 O7	387.14383	387.14432	-0.122872144	387.14377	322362	333484	295389	313485	204874	149200	207773	293772	238312	466385	346127	209394	214246	142625	205930	281379	244346	226246	249681	530121	535349	319816	223616	306477	195184	730385	195940	328328	207943	261545	232132	325582	261888	212370	562610	237509	223063	220835	248694	398179	441018	152962	7512	2333	1823	316556	364305	2817	256062	286327	300725	303468	176123	2247	213644	166283	141457	289096	254995	265432	343381	256735	261084	191675	130119	220766	160631	260515	645062	828483	1889946	256667	247816	252004	210722	273994	1817	193255	302269	233823	296811	264741	247687	288651	237304	147676	274421	161378	174633	357330	244319	248161	316584	221038	276831	4437	319661	296024	207050	231240	206965	236701	209777	310118	249492	234588	173774	2543	224398	218599	Phytochemical	0.33333334	1.0476191	0.0
16	C21 H22 O7	387.14383	387.1443	-0.10905119	387.1438	439458	511573	461762	476668	403388	267703	273900	421442	421501	896341	604212	278553	425335	247140	315696	417820	304991	428262	465613	941282	982380	460065	377269	448537	289660	1374855	260904	482100	309775	327796	383884	418838	408697	308008	1021929	347068	400544	317169	362569	692316	706314	239064	11989	3314	3661	460889	461963	3865	415062	391608	489617	488806	327096	2778	371203	304020	242480	412494	319144	330665	429899	423347	464716	338986	197928	406097	283135	339277	1115222	1615916	3371980	417763	358342	341316	309963	400668	2332	255252	450067	337772	397723	416261	341092	515159	424363	236889	421064	240359	282176	482732	376581	393438	505717	347581	471495	6001	508040	468293	348701	347254	353071	347823	261629	403921	282446	375573	310038	3504	338402	504829	Phytochemical	0.33333334	1.0476191	0.0
20	C21 H22 O7	387.14383	387.14423	-0.10417468	387.1438	497470	548832	493058	446339	492297	349719	192068	346983	516683	1206533	694825	209878	601961	326922	318571	337240	212288	520748	549319	1125891	1180186	575969	319882	379577	279497	1497514	181060	624609	304641	270777	271221	276949	364649	273463	1397351	249666	398123	262355	228559	823889	637270	238056	16910	6860	3666	521049	486304	7025	318059	286585	514300	532685	340795	4279	476056	408554	260194	361227	305707	223241	332882	525466	608035	403234	219621	482616	313038	252924	1281603	1996725	1842052	312429	260062	243649	213372	275974	3575	238473	413864	363564	361149	345631	260058	555121	455336	284857	368108	277646	287382	311756	416183	423762	466048	438806	501266	9126	492443	491113	422909	410678	402489	317280	219433	345763	348594	326723	349770	6027	277578	646580	Phytochemical	0.33333334	1.0476191	0.0
14	C15 H22 O8 N4	387.15103	387.1516	0.14618646	387.1511	73763	75030	71117	79184	38670	37169	53162	67670	35460	119225	83517	42394	48691	33360	45132	72019	65992	43981	55378	132439	147504	128503	58261	89171	64032	125006	48157	80746	57287	52497	56772	58888	85252	60164	138612	50978	72224	44668	68558	129399	142388	35167	0	0	0	98581	110588	0	61311	58331	72901	66220	38246	0	44774	30922	30352	85676	56687	60357	60420	90708	37005	42487	22751	43784	36500	66700	114430	174593	179200	62594	44739	44566	59475	54281	0	37570	65368	72806	53668	60365	60989	86409	36142	23678	68614	46794	41100	113798	84546	89483	111404	85254	116658	494	75050	67887	29517	31488	28463	57191	46567	87580	51525	79799	25512	0	53891	44096	Peptide	0.53333336	1.4666667	0.26666668
4	C20 H22 O6 N2	387.15506	387.1557	-0.21322496	387.15497	10195	9147	10069	7390	6070	5793	3382	9077	6436	19483	11135	5530	9717	4353	6994	8506	8025	6549	8275	19555	21317	15211	7361	10534	5104	21079	4319	7907	6295	5596	5801	5506	9108	5522	22614	6248	8125	5697	12831	15156	19498	4488	0	0	0	11766	18594	0	8564	8746	9190	7119	5470	0	9471	5183	3298	6834	2554	8330	9426	11832	8611	7798	2864	7603	4675	10863	20395	20912	28625	6525	5845	6133	5238	6380	0	5782	8465	12504	6949	8082	4710	10485	7699	4985	7234	5561	4380	12151	8756	7008	14830	11980	17130	0	9940	10823	5933	9783	9110	7402	5518	9798	9766	6831	5249	0	7182	7716	Phytochemical	0.3	1.1	0.1
12	C20 H22 O6 N2	387.15506	387.15555	-0.22144122	387.15497	71823	64418	66213	64460	36394	36691	38703	73303	34390	120213	89988	34178	31953	26726	41306	63921	68760	42427	48398	173059	181622	125935	55823	76369	41771	140652	32825	72886	48254	45701	53356	48923	77645	50630	167350	45344	59587	43417	80608	147151	167462	33296	0	0	0	110902	122440	0	63272	60050	72085	62289	41068	0	43765	24849	26460	70389	38668	56552	49321	89710	43724	32392	21394	46648	41467	73193	120923	211108	229736	45542	37065	41627	41727	44929	192	40458	59423	74562	54065	56866	47829	87440	29590	26073	59228	35178	39755	128884	68764	74241	92556	95625	103107	0	79908	69946	28736	26651	28946	65546	40406	68187	61117	66306	25811	0	52532	42489	Phytochemical	0.3	1.1	0.1
10	C20 H22 O6 N2	387.15506	387.15555	-0.1833308	387.155	66130	62841	63377	64595	34452	30371	35478	60035	32137	139998	86524	34128	38955	21004	31927	57684	49803	37359	52300	153544	157432	102701	40878	64266	36861	129487	37033	75448	45252	45017	44546	55890	68989	46472	149648	43364	64953	33162	64428	135649	140453	32794	703	0	0	100700	99201	0	50807	48435	66910	64769	31219	0	37950	23700	22008	59951	24530	53835	52622	73239	34461	34486	21151	36502	33273	58115	125483	213235	174580	51568	38450	39176	43709	41446	0	31530	54359	75376	44581	48255	31230	79134	27299	19889	50392	33098	32586	75268	75282	62547	94335	80166	127481	0	68947	62448	27499	24438	26905	58028	27129	61530	48565	52698	22202	0	37644	37080	Phytochemical	0.3	1.1	0.1
10	C18 H26 O9	387.16495	387.16547	-0.23428795	387.16486	147992	67026	70327	117600	27344	40466	125276	207552	49356	115963	40729	61871	45891	20486	153936	163768	150984	61162	73728	179588	128705	74648	66366	199168	115516	12663	63282	30568	104750	101687	83028	96110	185300	155892	171280	184324	85352	128828	79218	42587	47023	80400	1472	0	0	62604	47508	0	161592	95072	71295	69096	69816	0	78752	42626	34522	82382	88428	54080	101128	24888	46084	114820	29266	51362	82164	82071	26912	50346	49804	94703	134240	211083	128707	156884	0	63588	80830	30860	142604	45490	131216	34153	52170	77087	59254	59784	37200	66864	47266	122708	205032	75448	92296	0	130092	144380	33854	40522	52158	81356	58326	187796	49832	75479	78452	0	99849	50914	Lipid	0.5	1.4444444	0.0
16	C17 H26 O8 N2	387.17618	387.1767	0.02891224	387.1762	0	29253	27345	25623	14319	18033	28857	34971	26763	15780	6426	22908	20847	6789	48243	32856	25578	32484	24081	15243	21000	29028	41760	39495	28242	0	10968	0	53286	38403	40119	35757	46494	29697	15156	35391	66756	28095	23577	11736	0	21153	1446	0	0	11046	9972	0	45987	30423	33492	20019	14442	0	31374	15465	18654	42651	28497	7824	38544	12426	10437	21906	7650	27918	25107	18312	0	18188	4920	35589	35094	29718	37300	34926	0	36963	14676	0	17229	8064	23397	10428	11448	16929	17778	20046	23673	0	50106	76134	0	10434	17166	0	17727	27144	24955	14559	13218	43749	24114	30987	0	0	23235	0	24099	40914	Lipid	0.47058824	1.5294118	0.11764706
4	C17 H26 O8 N2	387.17618	387.1768	-0.22024341	387.17612	13672	10972	13185	11238	9456	9011	6099	12132	11846	7653	4471	6109	22413	6993	11964	12358	11153	19040	16806	9342	9486	17723	10862	14099	9770	791	4744	3724	14974	9996	11498	12949	16511	10874	13607	11261	17194	8448	11333	6388	5459	10770	0	0	0	10397	8069	0	12685	10624	11818	12365	9839	0	17820	9277	5603	13964	14180	6948	13670	4568	19619	15242	5994	16239	8382	11283	1313	2059	0	12159	10308	12382	3167	9319	0	9416	7189	0	6860	4451	5673	2045	11193	9305	7525	9984	12701	12629	12302	20958	27207	5650	6393	0	11249	13866	6965	9914	8283	14744	8337	13731	4762	14900	7109	0	5923	26962	Lipid	0.47058824	1.5294118	0.11764706
6	C17 H26 O8 N2	387.17618	387.17673	-0.23448421	387.1761	43010	49064	41034	48806	26798	23260	26096	50800	42694	33054	16798	27341	47876	10872	45654	57712	35861	52232	59906	31364	30540	70274	39124	68636	29118	2394	26787	17992	52710	45474	53128	56948	74722	49204	50170	54290	72713	35988	50308	24700	23862	26332	0	0	0	37224	24896	0	60146	39778	43870	46786	35058	0	55206	18644	18058	61250	51740	21962	66664	18184	43200	38980	15890	39714	38892	45148	4500	6220	0	41474	45842	43848	30856	39490	0	36377	29281	11574	25552	16132	24556	8668	27598	27048	31372	32022	40480	82364	58342	83580	105315	13866	24406	0	44982	41534	14354	20686	24908	64318	34778	50226	19648	59361	18670	0	27655	69984	Lipid	0.47058824	1.5294118	0.11764706
2	C17 H26 O8 N2	387.17618	387.17685	-0.23166783	387.17612	10577	13152	9457	9165	9518	0	6042	12699	10400	6181	3845	7070	17591	4928	7695	5273	10331	15124	14577	5288	9242	13226	8669	12302	5336	0	0	3224	13774	6073	11587	12412	22677	12623	9864	11240	15067	6178	10084	6593	4485	9798	0	0	0	5433	3761	0	12672	7562	9329	13299	10427	0	14087	5285	4676	16416	8326	5232	7131	2690	17494	11733	4387	13390	9905	16195	0	1440	2070	12141	12164	10310	1878	8695	0	7905	7026	3362	6707	2716	5167	1367	7727	5187	8674	10205	10799	15794	9938	16061	24016	5404	2394	0	11069	12757	4437	8153	7595	11649	7771	10400	3151	13438	6575	0	5918	20650	Lipid	0.47058824	1.5294118	0.11764706
8	C17 H26 O8 N2	387.17618	387.1767	-0.23425756	387.1761	26464	29865	22068	28866	12714	14029	18148	31904	20777	15126	5809	16732	26098	7540	28611	35306	20039	26235	27076	19944	13804	32740	24145	34666	18829	1748	21863	6725	28174	21365	25137	31169	31010	24162	26333	23628	39337	22391	19311	17382	12402	15931	0	0	0	27504	16620	0	31199	25282	26526	27637	13718	0	32410	12218	14340	31555	28112	14572	38798	10618	23242	20106	10382	21388	16075	21046	0	4005	4245	27380	24619	26014	13716	20129	0	20738	19126	0	19412	11728	18360	5615	15131	13647	23103	16673	18976	29991	31876	55281	51590	10114	15657	0	28364	23327	11783	11663	10576	33406	20136	29083	0	30858	15214	0	16193	28772	Lipid	0.47058824	1.5294118	0.11764706
20	C26 H26 O1 S1	387.1777	387.17816	-0.21100488	387.17764	1108356	1181186	1092265	1005350	1002250	686788	558938	974073	899712	1765107	1192389	624541	1012055	655123	790413	1079082	766738	999704	1157955	2161538	2254156	1062643	795335	1074556	686637	3168352	575615	1199644	887086	825623	764116	869912	1032649	839227	1837241	830458	1086753	672957	824815	1482629	1396283	662120	25425	7666	4371	887940	888043	8895	938417	791188	1075907	1115129	794644	7763	876563	766829	545896	1015173	722733	715194	949711	902465	991750	809751	465721	949704	707903	840573	2507838	3584353	3811749	909336	816892	799367	812480	857284	4210	668564	1010360	705568	841408	572950	741412	1035561	898460	609307	978048	734267	723078	971759	1038772	945148	1252477	728677	910794	12319	1109792	1114244	756751	864682	823433	963015	672945	1080531	607369	868938	760214	8088	707299	1103094	Organosulfur	0.038461536	1.0	0.0
16	C22 H26 O6	387.1802	387.18066	-0.1648733	387.18015	464571	511152	475696	484734	373803	251311	376577	457763	394518	555038	427250	371716	400629	235138	373540	542879	514683	375646	483336	730822	723157	424789	445994	521711	324946	1130597	363847	356060	396115	442850	425128	458145	467289	310900	611189	468272	447866	367496	608831	468012	597409	277650	11053	3663	3600	366592	402534	4241	548362	455755	500642	527357	340228	3886	343365	328696	271955	510772	326840	463998	536701	302057	426730	306253	215374	366661	288625	545610	890443	1166506	1401649	402335	400846	446259	472024	477162	2981	330317	569187	324175	458574	341044	408067	400236	449779	263931	529033	292039	320536	732054	405726	437603	710171	311751	387624	6924	500511	510856	334220	438423	453402	454814	302740	459745	223549	485702	360356	3673	415676	397567	Phytochemical	0.27272728	1.1818181	0.0
18	C22 H26 O6	387.1802	387.18063	-0.13759455	387.18018	917979	991345	891928	825297	758280	521254	581745	848391	637290	1206228	933001	583120	774945	474098	660227	937013	761472	739004	972047	1557330	1487224	825203	694329	939411	540643	2400713	582924	825303	725656	728821	732704	804215	890738	715913	1202146	723531	861726	601085	881089	1041195	1131216	547354	19106	3659	4231	677695	693461	5616	869073	723273	901529	921562	657904	5558	710006	657861	489744	939627	559665	689090	815622	647854	785744	626751	412992	736595	572060	941014	1939673	2362660	3011136	704970	604776	708425	761346	838409	2511	531274	930649	556242	795550	561600	621869	781554	811739	518921	885492	608491	619792	951601	837762	806714	970053	514683	731040	8024	895613	833278	630641	713188	757564	860879	547177	889385	379004	692819	563011	4635	686463	753900	Phytochemical	0.27272728	1.1818181	0.0
22	C22 H26 O6	387.1802	387.1806	-0.11706144	387.18018	799995	828093	705832	752755	706258	567108	353648	686238	691414	1470420	972878	392889	699473	471836	519783	657357	453573	824208	812586	1653916	1690370	854192	578726	738436	541408	2223852	320481	924640	661630	548832	579802	593416	742620	632657	1571797	600824	798762	471569	473268	1134548	929052	449655	28076	8069	4608	698442	627435	13316	628265	573327	809216	772485	599250	7110	674616	578972	386871	720363	537025	391798	696682	736385	763984	583252	314709	760967	556749	458481	1846085	2818546	2678091	682428	545480	511900	368109	576148	4943	448920	675709	448499	550715	477482	461737	707349	709845	439119	663427	487709	527895	581732	717716	777773	870786	589270	804367	10756	720990	781580	522535	635276	554066	705029	414676	738686	466553	623470	508906	10019	488083	885378	Phytochemical	0.27272728	1.1818181	0.0
14	C22 H26 O6	387.1802	387.18066	-0.19230533	387.18015	231363	234905	229391	227335	147010	103530	204903	239391	166167	228338	198283	177865	150313	97113	182269	258809	261154	131674	170878	274644	290173	244035	195641	251621	167521	378367	202420	184128	170606	208399	198637	258146	222435	156232	245598	213593	202088	175611	281576	194512	269417	128387	6105	2534	2119	191081	244896	2933	222953	214173	219410	216047	132873	2403	169894	137878	127733	272662	188522	252233	249143	140066	174439	155476	101246	147257	127069	287336	292384	378865	489860	162383	181966	220045	233761	227326	2025	153085	269752	179056	239849	153846	193576	170794	198200	121500	270865	120455	147698	379030	184495	186880	287974	140870	177453	3858	234924	233827	141687	199022	183076	220013	161958	258780	153189	193435	140702	1889	221247	147872	Phytochemical	0.27272728	1.1818181	0.0
28	C22 H26 O6	387.1802	387.1806	-0.1716326	387.18015	28534	26611	24801	29526	31442	18296	15568	25435	23766	38965	26609	14222	42256	22817	21366	29902	23383	32858	40934	44987	48181	29136	20904	29104	15372	64234	14378	29325	24541	23068	21916	24951	28394	22171	49205	30888	27498	15807	23544	28613	33898	21016	3832	1927	3216	23141	23608	3115	25868	29169	27912	25634	27144	4359	32151	27645	13958	31243	17697	13496	33748	18426	32362	23261	13543	43256	24942	26054	64610	74653	97176	20697	20637	24131	18361	22010	3561	13140	28298	19088	19839	14157	18556	26171	35365	15663	30742	20994	21543	24938	28623	24617	36270	18586	28653	2040	28298	29340	18778	37840	37367	27773	16717	31559	17806	27025	21161	2420	17200	34958	Phytochemical	0.27272728	1.1818181	0.0
10	C22 H26 O6	387.1802	387.18066	-0.25255096	387.1801	32975	23527	22685	27755	12099	12971	29332	36888	17060	18310	20936	24183	16665	8771	22334	31888	31721	10874	18947	30708	33925	27028	23865	34879	21533	28461	32310	14758	26327	33037	25901	31522	25545	16221	29860	32609	29397	24995	37669	21444	33066	14465	2246	1880	2570	26210	31107	2830	30056	29456	23291	30515	14911	1399	19830	13288	13961	32587	22538	33220	32677	16206	12978	12364	13809	15719	10197	36794	30207	34621	38167	23003	25773	28975	36196	32429	1638	20855	37967	20356	29541	25003	29032	18182	20659	14620	30662	10750	17008	42571	24877	19814	35458	19401	23495	3000	25626	29045	13749	18765	16828	27663	22550	29352	15052	25041	14945	1884	30995	12227	Phytochemical	0.27272728	1.1818181	0.0
26	C22 H26 O6	387.1802	387.18063	-0.09832653	387.18018	93015	87426	86208	85137	91794	61929	29730	81452	86179	125423	98827	51389	129548	70185	61947	81772	63261	108267	137518	169340	169852	91816	73856	89494	61153	218163	33123	98019	77091	70586	70429	66939	95777	58074	156784	80087	98285	48676	67110	114666	110605	62690	8823	0	0	82053	72384	5743	76587	65935	93726	92560	75320	0	89799	95918	51948	81426	57456	39678	80603	72975	100636	74950	41152	119805	94660	70358	203684	238118	286084	67837	58744	63907	99738	73682	0	52779	83013	66367	63729	55753	49654	79469	103735	55549	81086	59857	67278	60924	76691	78005	122712	66155	81084	4997	81843	97322	62604	100613	103611	101867	47504	82998	53787	68147	65378	0	53034	108749	Phytochemical	0.27272728	1.1818181	0.0
2	C16 H26 O7 N4	387.18744	387.18805	-0.2369981	387.18735	9533	8457	7267	7831	6486	0	3881	6667	7062	2637	11052	4249	7887	2373	4917	2447	7975	7502	7531	1897	1518	6541	5678	6309	2995	0	0	53116	9787	3636	6851	6625	9485	8065	2984	5442	7085	5161	9573	0	744	0	0	0	0	1901	852	0	7344	4428	8984	11076	4992	0	7460	2818	2773	9009	2154	997	2801	391	6291	6589	2694	8509	7246	9330	0	564	0	5469	7019	4650	0	4180	0	4209	4983	263560	4225	0	953	337	4908	3646	6415	5915	6774	15710	179201	119532	16985	35774	692	0	10003	10244	4674	3783	3174	5966	5195	3073	497	11096	6067	0	3725	9018	Peptide	0.4375	1.625	0.25
0	C16 H26 O7 N4	387.18744	387.18805	-0.3337625	387.1873	3749	5095	3998	4094	4288	7690	1875	5691	3177	0	1762	0	3750	0	2709	0	3181	4587	5041	0	1193	2796	3654	3313	2290	0	0	8413	6426	0	2837	6728	7898	5161	2481	4092	6904	2841	3700	0	0	4338	0	0	0	0	0	0	5091	3224	3281	3674	4343	0	2883	1151	0	7969	950	915	0	0	0	2610	2196	5269	4184	6430	0	0	0	3455	7245	2835	0	4444	0	3242	2535	35249	1585	0	0	0	1658	1411	2084	4792	6160	3547	30720	9427	6504	5303	0	0	4714	5853	1693	1033	2088	2513	0	0	0	5564	4085	0	1745	6407	Peptide	0.4375	1.625	0.25
6	C16 H26 O7 N4	387.18744	387.18796	-0.14162481	387.18738	4101	2990	3967	4391	1720	2424	2834	4892	2249	1503	2310	1608	1174	810	3676	5704	1944	1830	2486	0	0	4257	2836	3913	3334	0	3035	13436	2007	3100	3896	4488	5051	2387	2488	2446	3721	3556	4944	0	0	1186	0	0	0	0	0	0	3010	2363	3795	4549	1834	0	4407	1218	2082	6075	0	1357	2769	1652	1314	2703	0	3186	1931	7010	0	0	0	2855	2708	2618	0	1860	0	2384	2227	24261	1925	689	951	0	2301	1694	3741	0	2015	8378	32494	11386	9842	3804	2147	0	4728	2713	1593	1341	2403	3328	2368	0	54259	5072	2127	0	2607	2203	Peptide	0.4375	1.625	0.25
4	C16 H26 O7 N4	387.18744	387.18802	-0.15089835	387.18738	3197	4155	3487	3475	2162	2767	2028	3311	5112	0	1756	1753	3821	772	4236	3992	5074	3358	3522	1841	736	3585	3911	5083	3403	0	1950	8184	2458	1799	2907	2854	3913	2498	2052	2563	3251	3760	8530	0	1486	2235	0	0	0	2416	1101	0	2493	3020	4374	4016	1956	0	6385	2473	2419	5358	2566	1826	4342	0	2065	3406	2346	2912	0	4750	0	0	0	2185	2425	3343	1099	2055	0	1979	3323	43981	2661	1290	998	0	3681	3827	5335	2397	1763	6941	46984	18497	11594	6297	1647	0	3307	4287	4101	3705	3026	3693	2360	1874	0	4415	9895	0	2558	3797	Peptide	0.4375	1.625	0.25
6	C21 H26 O5 N2	387.19144	387.19202	-0.1824093	387.19138	20748	19275	17751	20525	7345	79491	13580	25239	5361	37033	16696	14761	7507	5016	13266	29742	19432	8168	13281	41590	45879	28548	12113	19038	14439	28224	13879	13979	21123	21537	16249	20128	26554	21170	39543	19146	25883	12478	21349	27068	21072	14821	0	0	0	20028	27662	0	28639	20328	20933	23122	7959	0	8040	2569	5209	24004	859	4811	25012	15703	4956	6304	5620	8550	11563	27239	19826	39042	40116	18485	18085	20516	15583	16559	0	12486	10070	16878	9574	4890	5253	21559	3184	7192	12857	8619	8807	31472	23797	16567	32182	18168	39028	0	18203	19258	3436	2982	2607	26065	12078	20466	8526	21225	2628	0	13703	5553	Phytochemical	0.23809524	1.2380953	0.0952381
10	C21 H26 O5 N2	387.19144	387.19193	-0.23676378	387.19135	27130	27230	27495	24111	10998	13234	17340	27171	8674	55616	37300	14639	8190	9176	18517	26766	22856	11206	19501	81294	75799	36432	17364	37503	17767	57296	18187	37094	29617	24826	22281	25624	34322	23031	58724	28265	35684	16104	30262	55631	38443	15756	0	0	0	32698	30029	0	33390	25959	32563	27852	12778	0	11128	5215	7538	32121	2485	13348	28292	26130	7183	8927	8568	11006	14554	30951	48831	72225	69011	26738	23459	26855	23243	20378	0	15636	18413	28355	17466	9698	7862	32336	5898	7238	18909	16014	15757	41615	41648	17706	47158	32744	59479	0	28432	30547	6840	5878	6238	31768	15241	28606	15621	26209	7188	0	19732	7045	Phytochemical	0.23809524	1.2380953	0.0952381
16	C21 H26 O5 N2	387.19144	387.19186	-0.2586029	387.19135	23940	29628	28483	22538	8458	11126	15996	26162	6491	40019	27714	18326	5118	8320	18802	29869	32613	10155	17333	58841	52967	38403	18969	30755	17910	46153	20305	34801	22654	28151	22582	23428	32694	28603	50301	24759	36587	14463	35495	51947	58753	14502	0	0	0	29773	29505	0	30216	22886	23381	24794	12182	0	8888	5480	9089	35432	16799	28769	27544	27822	7119	7390	5271	10530	17568	39547	30792	54293	67288	23921	21552	23538	26318	24790	0	16057	23313	23913	18237	17543	27337	33043	5067	6626	23063	19098	16038	67722	49979	46588	47536	37722	46577	0	29335	25848	5092	6835	5176	32864	14902	24305	13206	35645	8572	0	26924	10073	Phytochemical	0.23809524	1.2380953	0.0952381
14	C21 H26 O5 N2	387.19144	387.1919	-0.2483397	387.19135	21302	28451	24984	25759	9320	9453	16032	29590	6099	41117	27975	17356	5054	5505	17193	24962	24549	8897	10674	49339	62236	24914	18925	31752	19123	47555	19428	24948	18439	24028	22068	24732	33848	20564	51927	24877	24471	14974	30413	47920	51631	14023	0	0	0	24303	30665	0	27632	26980	18678	24401	9793	0	7650	7780	9846	30464	12324	25725	0	30626	5700	7659	5127	10921	15847	33727	34301	59243	57051	20663	17593	21191	24495	21248	0	15866	17404	21120	15243	19021	15728	34646	5439	4548	24034	17713	12176	47543	37910	23388	48011	28919	45279	0	27490	26771	5260	5170	4956	27170	15826	31624	18746	27665	5913	0	17872	6944	Phytochemical	0.23809524	1.2380953	0.0952381
12	C21 H26 O5 N2	387.19144	387.1919	-0.2865911	387.19135	20670	23890	26145	18811	9688	9317	16539	26133	7710	48078	27214	14031	7337	5596	14535	28005	24578	10378	15719	76956	71468	31140	16583	20049	17695	45602	18437	33321	20991	18639	23681	19293	30646	24959	52257	21721	25433	13895	31782	53991	44644	13445	0	0	0	27468	31462	0	22492	18007	27076	24844	11262	0	5794	4718	6050	28972	6488	15415	16203	26554	6606	5243	5255	11248	13987	39445	42776	72700	58574	18287	18315	18483	20471	18108	0	15307	15044	15186	17813	13798	9636	34485	4640	4393	20239	13843	11821	54360	36485	20332	42464	24896	44633	0	25251	23761	7412	7285	4851	21528	14582	25012	0	25820	5729	0	17899	7908	Phytochemical	0.23809524	1.2380953	0.0952381
14	C19 H30 O8	387.20135	387.20175	-0.24583726	387.20126	13294	13212	13657	20332	5842	10926	21689	18750	6655	0	4293	11653	10793	7305	15871	13875	22003	9845	7555	10053	5300	8815	9123	17010	13399	0	14362	8419	23974	23364	20261	19877	35729	17962	4506	24068	30227	13579	24760	0	0	6496	0	500	301	7984	5996	0	21121	16070	14455	11572	7064	0	12787	6131	8877	21646	6090	0	20722	2067	11362	10137	8996	8525	8501	17594	0	0	0	16271	21125	24107	16772	22816	0	16995	11311	0	10591	6006	17821	15256	13206	7349	17545	6835	11989	13172	7988	14171	13599	3112	3485	655	12390	17342	5027	9165	15812	27299	11202	19361	0	13254	4835	431	10909	7618	Lipid	0.42105263	1.5789474	0.0
12	C19 H30 O8	387.20135	387.20175	-0.2640148	387.20123	9294	7858	7191	9676	3507	2860	9939	11042	3716	5045	0	7254	3505	3115	9616	21080	11315	1948	3867	0	0	5367	5716	11282	7272	0	16417	0	12095	13556	12382	20576	12378	12429	0	22220	12335	6243	16274	0	0	4753	0	0	0	0	3835	0	16450	13171	6103	7095	3551	0	6479	3143	3728	17721	0	0	0	0	3539	3661	3163	2180	3886	13788	0	0	0	10304	14343	16978	21243	14252	0	9191	7182	0	6239	2647	9010	4483	3921	4266	7765	2627	6318	7428	6793	7738	11065	0	4572	0	11186	7333	2090	5990	7888	15503	4723	8707	0	6856	5324	0	7054	1914	Lipid	0.42105263	1.5789474	0.0
10	C19 H30 O8	387.20135	387.20184	-0.10376884	387.2013	3923	4307	3585	3046	0	1521	8020	7865	1098	10033	5072	4393	3541	0	3875	6074	6592	1870	0	9057	11008	2677	3264	3714	2953	0	6643	6190	6302	6789	5214	6423	7335	4915	8607	8370	7971	2430	8919	0	3391	1968	0	0	0	3716	0	0	6590	7280	4258	3585	1042	0	1462	1557	929	7126	0	0	0	3658	0	1271	2445	1596	1706	8178	11943	18437	14524	5073	6613	9021	10718	4080	0	2652	4696	0	2533	1759	2376	3645	2228	1954	4219	1219	1737	5269	21569	5109	10680	3694	3713	0	0	7480	1591	2246	2825	6416	5781	0	0	4977	1022	0	1559	0	Lipid	0.42105263	1.5789474	0.0
22	C20 H31 O2 N2 S1 Na1	387.20767	387.208	-0.2514946	387.20758	3562	3647	3211	5509	2590	2460	1549	3216	2070	5866	6437	2594	2688	0	2189	4848	4117	0	5686	9358	9201	4638	3459	2956	2930	19893	2414	3528	3618	3570	1628	4661	4343	4722	6354	4602	4465	1563	3608	3277	9631	1504	0	0	0	1620	2562	0	4411	3341	5846	5423	2359	0	0	3590	1318	3082	3198	2654	3612	3299	3773	2220	2186	4557	1684	4521	12025	20936	23200	3275	2305	4943	2623	3847	0	2286	0	2090	3388	2175	1847	3949	3297	0	4640	3018	1344	3109	0	0	5545	0	3861	0	3749	4571	0	2497	2773	8445	2935	2187	1675	4599	3348	0	3067	3556	Organosulfur	0.1	1.55	0.1
6	C18 H30 O7 N2	387.2126	387.21313	-0.21253532	387.2125	8566	10886	8174	16422	6454	22934	6002	15442	5114	4178	0	3982	11962	4302	11528	19258	5626	8018	13628	5816	5362	15310	6994	13962	14536	0	5840	37840	16612	10690	11228	18106	17000	11878	8978	15572	21188	8244	6244	5172	1598	4656	0	0	0	3774	0	0	19924	7820	10736	13536	8462	0	7418	5278	2228	18666	4346	1600	20742	0	7226	7216	2578	10250	5742	6874	0	0	0	12092	8134	8474	4358	12570	0	8922	7312	56362	3982	1856	4786	0	5638	4222	15394	4262	7128	22384	25886	34264	31243	4610	4194	0	11207	8618	2938	4196	4658	15058	4254	9768	0	15502	3208	0	7988	9828	Lipid	0.3888889	1.6666666	0.11111111
26	C27 H30 S1	387.2141	387.2146	0.32263342	387.21423	130899	119017	127971	119813	3417	0	0	0	0	4285	2959	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6947	0	0	0	7305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	128770	119108	0	0	0	261409	765748	2812	0	0	0	0	3974	0	2649507	0	0	0	0	0	0	0	0	0	0	0	0	0	3603	75411	0	0	0	0	965969	2649853	0	0	0	1790	4618	3300	0	4989	0	0	126708	128413	411520	374314	4630974	0	0	0	0	0	2149738	0	0	0	Organosulfur	0.0	1.1111112	0.0
28	C27 H30 S1	387.2141	387.21445	0.19420101	387.21417	0	0	0	0	1815	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2189	0	0	0	4576	0	0	0	0	0	0	0	34960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16370	52210	0	0	0	0	0	0	0	0	0	0	0	0	2320	2298	91274	0	0	0	0	0	14076	0	0	0	Organosulfur	0.0	1.1111112	0.0
26	C23 H30 O5	387.2166	387.217	-0.13837409	387.21655	235931	211650	216058	220003	240604	174420	118767	251217	219079	319378	352707	127307	291106	238799	187679	230820	158848	288499	410684	486117	439489	280561	166336	236174	204300	644712	117567	368936	262191	235207	228624	223470	334976	204781	451442	276617	411014	148834	159566	322214	287169	168866	13117	0	0	217295	176759	0	238671	201500	229994	213231	199974	0	265964	241577	111820	254952	214839	116722	247275	204314	226273	190960	142407	253014	228387	183696	613116	662915	645598	206140	198134	240693	128230	228389	0	152034	203078	212059	157646	159549	207636	247105	203831	167904	230532	165265	185295	176859	253999	279742	314944	221204	269829	7315	225608	278111	141212	235271	213671	325353	131000	288603	178300	208897	165241	6013	168345	227403	Phytochemical	0.2173913	1.3043479	0.0
28	C23 H30 O5	387.2166	387.21698	-0.21116583	387.21652	39089	34199	32231	30712	38460	23743	26891	33788	38153	39030	33886	19615	42682	31421	26437	35589	31390	33996	51655	44240	49067	37902	28163	32507	31932	79507	27937	37790	38350	39631	32565	37545	48332	26078	52381	49102	43399	24508	29506	35556	39226	30427	4028	3366	4368	28891	24981	3500	37218	35140	34600	31905	30659	5429	36320	36853	16425	43988	27578	20041	40429	20630	33072	28682	19091	48426	37291	33684	71373	73226	95064	24755	23744	35568	21174	32715	6283	21655	33830	31403	25950	21935	25477	33136	40639	16961	44303	24495	27642	39565	37853	40735	46958	27701	34539	2722	35310	37811	22284	53444	41863	49742	24068	40330	24456	38301	27181	3624	23432	32903	Phytochemical	0.2173913	1.3043479	0.0
14	C23 H30 O5	387.2166	387.21704	-0.23614816	387.21652	31613	29668	28581	32076	20300	11274	45218	33271	24932	16704	18424	30288	14265	13050	24542	45456	49771	15267	18936	20967	16795	25312	25904	37651	25927	28174	38205	11166	24203	31079	24799	42875	30720	14473	20086	30222	21301	31342	46335	19583	23293	15475	0	707	868	17755	22892	1023	29220	32601	25681	29829	12743	520	13007	25355	24521	34556	21442	42975	31482	11105	16230	15385	18386	12925	15127	56880	21814	27735	37468	13898	19396	26837	40724	29728	583	21342	44189	17737	39928	20297	35123	18366	29311	17547	47101	15935	15113	70744	32435	25000	37477	11917	20254	1084	35894	25251	19922	36851	45835	31856	25617	28407	0	29731	24939	843	39221	17938	Phytochemical	0.2173913	1.3043479	0.0
20	C23 H30 O5	387.2166	387.21698	-0.17784357	387.21652	578942	640477	594622	566084	580767	373312	448457	503478	479055	662228	598771	390027	493850	378465	432567	695223	716958	482159	701178	842511	906068	525620	390402	557561	395122	1504542	478612	575154	523451	499565	409383	496827	657918	435619	701942	534591	612076	421424	723047	544218	705885	404535	14890	3775	1549	346190	436256	5174	552655	439929	609872	640083	485912	3765	508264	551706	403587	625298	382412	481070	543955	361279	472802	443766	300943	495853	403646	779845	1095234	1363099	1853426	374193	415781	479625	676900	495985	1850	353329	676849	426108	458187	273722	474622	471869	655979	423149	725569	430329	438246	709975	623459	580997	630725	385231	494579	5356	591439	610302	436621	705336	710180	663818	396003	606947	291248	499680	533531	4210	481680	519968	Phytochemical	0.2173913	1.3043479	0.0
18	C23 H30 O5	387.2166	387.21698	-0.2101005	387.21652	276172	271176	232171	234778	226790	148471	235168	237550	186740	233473	232558	188880	208838	151982	196918	298012	371164	191868	301358	302000	302072	212241	210506	238126	182272	451657	242128	208896	221301	232922	200879	235417	276934	174268	240582	241090	246695	203382	390300	193507	243840	170615	6803	1136	877	152577	187263	2312	251267	211304	258916	251014	206764	1721	218344	244218	181174	290585	158344	227799	232309	128085	226786	172876	151774	198686	179914	395102	361884	385448	588249	148474	157457	222889	319698	248452	921	140051	335213	185355	258020	154104	210296	162642	326674	205717	325622	156319	171321	373436	261337	239280	291799	164694	210721	2121	260991	234339	197989	343429	352202	289563	168683	233030	111266	208765	210850	1545	237372	200454	Phytochemical	0.2173913	1.3043479	0.0
22	C23 H30 O5	387.2166	387.21698	-0.14973046	387.21655	945812	1073726	847687	993817	961123	613674	642488	899999	780557	1246798	1133663	555346	709037	600340	700064	1157952	983733	908412	1022332	1620220	1730421	927842	654689	1030957	696264	2600636	626137	1118615	928354	809456	756418	946441	1109622	823734	1295152	917390	1063230	609895	993592	1049773	1160785	649578	27235	4700	2061	707802	706507	7714	892984	776456	978237	962802	880400	4967	856251	816909	576402	1125118	626911	597020	1130080	714660	781079	694199	464430	835521	726339	1055395	2077525	2568764	3096183	685117	667817	730630	788509	857945	2188	571439	910378	641674	661931	514418	694572	792930	916576	636155	951009	652127	745296	912970	901415	908544	948429	745381	1024420	7868	838673	973955	692589	960418	881235	1230337	580651	944739	502176	902175	796161	4502	685726	860495	Phytochemical	0.2173913	1.3043479	0.0
2	C17 H30 O6 N4	387.22382	387.2245	-0.1690313	387.22375	7311	8455	7243	8648	1871	18124	1716	3677	1265	840	3418	2044	1382	737	3527	1531	1842	3926	1733	0	0	3151	2671	2527	2127	0	0	68573	6186	2172	4146	3023	5858	2694	1318	3578	3947	2846	2270	0	0	0	0	0	0	312	0	0	3105	903	6587	7123	1370	0	872	0	539	5212	372	0	1448	0	723	1381	0	1896	1940	4322	0	322	0	3465	2361	4506	620	2183	0	2165	2500	950745	1823	0	0	0	272	575	3691	1263	1481	6655	257984	95282	6608	48443	713	0	8739	6956	990	0	496	2563	2382	1273	0	3179	479	0	2361	2338	Peptide	0.3529412	1.7647059	0.23529412
4	C17 H30 O6 N4	387.22382	387.22437	-0.20285428	387.22372	5024	3376	3088	3963	467	4423	838	0	708	0	3852	297	799	0	845	1521	929	1813	947	0	0	771	1116	1096	1356	0	1437	71874	1059	0	0	1166	1995	1197	0	0	1175	673	1967	0	0	662	0	0	0	0	0	0	1810	668	3468	3327	691	0	391	0	0	2039	0	0	1591	0	500	210	0	1075	0	0	0	0	0	913	0	0	0	0	0	502	745	466908	509	0	0	0	793	422	1917	894	671	2342	250500	66337	1941	25792	2066	0	4931	4341	516	0	387	1181	743	0	0	1432	0	0	1732	768	Peptide	0.3529412	1.7647059	0.23529412
6	C17 H30 O6 N4	387.22382	387.22427	-0.15757456	387.22375	5195	4896	5972	3607	474	5257	1518	2481	0	0	3052	0	627	478	3899	6387	0	1201	845	0	0	1764	1957	2676	3746	0	1461	43954	3682	2492	2355	2724	3944	3209	0	2217	3148	3161	0	0	0	1249	0	0	0	0	0	0	2568	1449	4375	4960	968	0	986	0	637	6111	0	0	5648	0	0	0	1114	1464	0	0	0	0	0	1702	1501	0	0	1428	0	1264	2403	68656	1374	0	0	0	0	964	4227	810	1464	1702	164309	42250	5203	11440	1555	0	4168	3877	818	0	0	2563	1426	0	0	2668	0	0	2938	1090	Peptide	0.3529412	1.7647059	0.23529412
8	C17 H30 O6 N4	387.22382	387.2242	-0.25843212	387.22372	1865	2530	1327	2286	0	3390	807	1644	0	1217	0	1132	0	0	1129	1190	0	966	0	0	0	0	0	0	847	0	0	20033	868	911	2046	1916	1825	1200	0	1567	2438	613	0	0	0	0	0	0	0	0	0	0	1374	0	936	1776	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1188	0	0	0	785	1378	1713	948	1397	0	1384	0	15120	0	0	0	0	0	0	0	1310	661	0	72756	16904	0	3188	2365	0	1368	2271	0	0	0	0	946	0	0	0	0	0	0	0	Peptide	0.3529412	1.7647059	0.23529412
10	C17 H30 O6 N4	387.22382	387.22385	-0.27364874	387.2237	1384	0	0	0	0	1625	0	0	0	1309	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7998	0	0	0	0	0	0	0	0	1365	0	0	0	0	0	0	0	0	0	0	0	0	0	1165	0	0	0	0	0	0	0	0	0	0	0	0	0	1102	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53817	7294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.7647059	0.23529412
0	C17 H30 O6 N4	387.22382	387.2244	-0.3948162	387.22366	2235	2313	2232	2373	0	0	1401	2284	819	0	0	2017	0	0	2036	0	2540	1288	1602	0	0	0	1992	4652	0	0	0	5894	3599	2014	1988	2772	3373	4098	0	5086	2268	1373	2952	0	0	1326	0	0	0	0	0	0	2967	0	2045	2579	901	0	1410	0	0	2782	0	0	0	0	0	1365	0	1385	0	4388	0	0	0	2383	4614	5844	0	3536	0	1718	1892	68418	1198	0	0	0	897	0	1745	0	0	3148	20274	7792	3068	5503	0	0	0	2548	336	0	884	1996	0	0	0	3039	581	0	0	1131	Peptide	0.3529412	1.7647059	0.23529412
24	C19 H34 O4 N2 S1	387.2312	387.2318	-0.09972855	387.23117	1073	2656	0	0	0	0	0	3095	0	0	0	941	0	0	2357	2503	3978	1194	1611	0	0	10500	12892	31588	11394	0	1987	0	0	2774	0	1188	1421	1565	0	0	0	880	4167	0	0	0	0	0	0	4725	0	0	2123	2370	0	1678	0	0	0	0	1540	7080	0	1458	8620	0	0	0	0	0	948	4454	0	0	0	2182	1910	0	1682	0	0	1105	9063	1807	16234	2117	1236	0	0	0	3541	1453	1427	6920	0	0	44957	0	0	0	2173	2333	0	0	0	3098	1077	1646	0	6273	0	0	6871	0	Organosulfur	0.21052632	1.7894737	0.10526316
20	C20 H34 O7	387.23773	387.2379	-0.2620875	387.23764	4588	0	2378	0	2143	1612	15153	2263	0	0	2513	2143	0	1326	0	0	3664	0	1612	2031	0	1430	0	0	0	0	7888	1587	2550	1813	1826	4192	2144	3492	0	1839	3706	1329	4714	0	1954	0	0	0	0	0	0	0	5110	0	0	1788	0	406	0	0	0	4311	0	1452	2842	0	1559	0	2359	0	1979	0	2677	0	2645	0	1667	3496	2173	1923	0	0	0	5799	0	0	26247	15463	0	1449	2070	1201	2215	5746	9909	3163	2020	0	0	0	0	0	1660	2612	1715	0	1297	0	0	1823	3114	0	0	0	Lipid	0.35	1.7	0.0
22	C20 H34 O7	387.23773	387.23807	-0.33044064	387.2376	3146	1819	1583	4868	2628	0	22721	3534	1832	1775	0	2147	2942	0	1547	2443	1634	3357	2778	0	0	1379	0	0	1957	2983	15767	6942	5445	2641	3626	0	3891	5000	0	3599	0	0	3072	0	0	1902	0	0	0	1803	2719	0	5005	1571	4225	2441	1427	563	1449	2389	1833	4449	1777	0	3240	0	1389	0	12923	5055	4105	3046	0	2421	5062	2580	2700	3304	4042	3877	927	2491	2053	5117	0	2781	25448	17879	2440	2768	0	0	1898	3529	6730	5866	4652	1666	0	0	1643	2892	2621	1980	5550	3120	1929	2488	4677	1815	2147	0	0	2021	Lipid	0.35	1.7	0.0
24	C20 H34 O7	387.23773	387.23788	-0.37594762	387.23758	2741	2175	0	2290	2271	3537	11251	2528	1329	1272	2523	0	0	4457	0	0	0	3155	2139	0	0	0	0	0	0	0	5931	16540	3042	0	2496	3852	3580	2676	0	2146	5441	1434	2062	1163	0	2558	0	0	0	0	1744	0	3673	0	2417	2675	1807	0	1366	0	0	3950	2927	0	2990	0	2344	987	3788	5320	5030	1700	0	0	0	2245	2147	2867	0	2372	0	1218	0	8097	0	1773	6696	4511	0	0	3283	0	1724	0	25094	17504	0	0	0	0	2723	0	0	0	0	2699	0	0	16532	0	0	0	0	1157	Lipid	0.35	1.7	0.0
22	C19 H34 O6 N2	387.24896	387.24908	-0.27521044	387.24887	0	0	1409	0	0	0	0	0	0	0	0	0	0	0	1188	1493	0	0	0	0	0	4079	0	0	1695	0	0	0	0	0	0	0	25983	0	0	0	10285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2134	0	0	0	0	0	1493	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17117	0	0	9955	0	0	0	0	0	0	0	0	21581	0	0	0	3516	0	0	1114	0	Lipid	0.31578946	1.7894737	0.10526316
16	C19 H34 O6 N2	387.24896	387.24945	-0.18705873	387.2489	2365	0	2226	0	8724	10568	0	0	0	0	0	0	4860	65002	0	0	2317	3243	2642	0	0	0	0	0	9152	0	0	8297	3235	0	0	0	0	0	0	0	0	0	0	0	0	11788	393	0	0	0	0	0	0	0	0	2244	2585	0	0	1043	2475	0	0	0	0	0	2163	0	19842	3472	12350	2388	0	0	0	0	0	0	0	0	0	0	17933	7879	0	0	0	0	1587	52373	13926	15253	7359	0	4416	0	0	0	0	0	1503	0	0	1539	13829	0	0	0	0	0	4713	0	15602	0	Lipid	0.31578946	1.7894737	0.10526316
18	C24 H34 O4	387.253	387.25336	-0.23454307	387.2529	12041	13593	12255	8615	5925	2632	22422	10557	8120	0	6381	7890	3652	7566	9895	17895	42102	5781	12451	3836	0	3295	7448	7736	10124	5323	19887	4745	8098	10970	10097	8895	16324	6189	0	11476	9432	10792	44776	1350	5673	5392	309	0	0	2244	5364	0	10234	8580	15112	9249	9009	0	9436	12498	9880	15475	4828	12550	8409	1816	6348	8412	10878	4168	9912	45160	3272	6000	11572	1497	4562	13008	35451	12208	0	5240	28143	5083	10869	2346	10052	2461	19288	12342	20823	6802	9629	41703	7901	9581	11853	4259	2487	0	13854	10969	8850	19185	23989	16323	9293	6148	3702	9043	11634	0	14931	3517	Lipid	0.16666667	1.4166666	0.0
28	C24 H34 O4	387.253	387.25333	-0.20828551	387.2529	53846	47679	46029	44397	59037	26103	64069	45851	42579	38272	54295	24535	44300	34936	35028	50984	52813	54742	84114	47176	46121	47352	37746	40869	82382	126248	50909	75716	64300	53582	45950	79586	76752	36250	50204	71685	49441	41973	50985	38857	43520	37456	3679	1732	0	29098	25143	1768	46275	46757	50071	45012	49924	0	57715	63265	32100	60143	49785	23891	50699	33544	35653	38459	35109	55956	59177	62847	95239	61731	67869	25406	32597	56015	31312	48867	0	31125	83145	97137	35807	38363	49383	48309	72813	43090	143858	35230	42721	88210	56816	59877	60555	74000	35476	1332	52494	49573	39029	90556	104449	85366	27028	52158	43487	53887	62878	1504	64125	34600	Lipid	0.16666667	1.4166666	0.0
22	C24 H34 O4	387.253	387.25336	-0.2234238	387.2529	159306	164423	135683	142689	154830	83371	197670	135756	118861	110847	143738	106867	86111	122838	122735	209049	377455	138436	216422	124198	143421	109549	105845	116370	134230	254477	197624	142643	161902	164980	124029	182231	187685	112852	131610	172625	153732	128026	353355	85790	148532	124274	3289	0	0	70577	116537	0	147344	136453	147849	146689	138691	813	163434	155891	117307	186253	83481	133871	157555	65500	112117	113915	118933	122765	148077	404516	168629	176149	258342	73731	101967	148574	248919	163209	286	91539	182592	113034	125306	73081	147357	110261	228056	158708	251007	135920	152165	338365	160653	157315	147974	97256	106555	0	139210	158708	126395	216316	210249	239839	100898	140366	72485	127644	171364	0	163256	116026	Lipid	0.16666667	1.4166666	0.0
20	C24 H34 O4	387.253	387.25336	-0.22861773	387.2529	52447	64048	47640	50364	44371	27985	62086	46260	41077	25619	34648	41592	22610	36189	50389	65075	146309	44270	70393	34933	32784	32597	33433	35662	45830	51374	66680	32993	45885	48362	36892	53456	61775	33385	23352	55636	46867	46390	145051	14595	43035	42280	1440	0	260	16297	32708	0	49487	36146	54471	46233	46392	554	43173	49320	41530	63867	21247	46745	47540	13029	31045	39312	42650	35582	41425	146102	35364	33734	59963	23459	37608	56539	117522	47220	0	33647	67287	39947	38821	22164	51206	31966	75570	59666	95269	39220	51004	131296	50654	50470	63259	22834	27923	0	42678	57507	43954	82866	83054	73070	40257	42102	16447	45760	56059	0	59221	29752	Lipid	0.16666667	1.4166666	0.0
26	C24 H34 O4	387.253	387.2534	-0.16678801	387.25293	287745	270579	288721	252931	303981	144963	231549	237860	253409	242419	414627	148859	213793	201346	200817	293129	344797	240634	479965	386845	341760	385566	169611	204696	268641	833026	227742	446133	328859	286856	219373	386094	351222	206540	347746	355074	309261	180458	334156	286146	324595	198079	13371	0	0	195293	210616	0	275876	217662	284186	273005	246034	0	314087	305798	175833	326168	198561	161266	277536	189424	201546	211437	154918	243696	301334	432611	601001	529518	569688	152490	207871	282469	237156	276695	0	151602	302397	358097	161899	195796	249342	293108	353397	256909	488443	204711	264252	415969	300558	322951	303466	329061	352749	0	276303	309219	204145	376336	393291	440945	134472	312591	188177	225450	262908	0	252888	173989	Lipid	0.16666667	1.4166666	0.0
4	C18 H34 O5 N4	387.2602	387.26074	-0.14882292	387.26013	3112	3518	2908	3199	264	7411	533	860	451	0	2095	343	1523	0	706	2167	1981	848	0	0	0	0	0	747	1293	0	745	132133	0	0	683	0	1217	0	0	0	1105	415	1379	0	0	906	0	0	0	0	0	0	0	0	3128	2592	684	0	0	0	0	451	0	0	0	0	579	0	0	0	334	1728	0	0	0	588	0	0	0	0	0	273	790	377509	0	0	0	0	0	383	734	640	0	1037	249748	102318	631	14916	1529	0	3675	4230	580	0	314	0	0	0	0	455	277	0	359	599	Peptide	0.2777778	1.8888888	0.22222222
10	C18 H34 O5 N4	387.2602	387.26074	-0.017011631	387.2602	3973	4896	5068	3985	0	2166	0	0	0	1072	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51596	1204	0	0	0	0	0	0	0	0	0	1649	0	0	878	0	0	0	0	0	0	1912	0	6428	4036	0	0	0	0	0	3409	0	0	0	0	0	0	0	0	0	1604	0	0	0	0	0	0	0	0	0	0	0	100210	0	0	0	0	0	0	0	0	0	0	533045	198080	0	18088	2579	0	4999	2927	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2777778	1.8888888	0.22222222
8	C18 H34 O5 N4	387.2602	387.2606	-0.21884048	387.2601	14179	14900	14056	17249	0	14751	0	0	0	0	8851	0	0	0	0	1542	0	0	0	0	0	956	0	0	981	0	1441	163586	1185	0	817	1217	2651	0	0	0	2052	0	1819	0	0	2488	0	0	0	0	0	0	0	0	17903	11871	0	0	0	0	0	1835	0	0	0	0	0	0	0	0	0	1234	0	0	0	0	0	0	0	0	0	0	0	883838	0	0	0	0	0	0	0	0	916	0	1166795	572773	0	74658	7607	0	14640	13113	0	0	0	1663	0	0	0	0	0	0	0	0	Peptide	0.2777778	1.8888888	0.22222222
6	C18 H34 O5 N4	387.2602	387.26065	-0.12868302	387.26013	9306	10887	7418	11394	1074	11008	510	786	0	1196	11098	0	0	621	528	1906	0	1134	0	0	0	661	0	801	608	0	979	362472	1012	689	1294	0	1550	0	0	0	1521	928	1116	0	0	1479	0	0	0	0	0	0	0	0	9508	10353	475	0	0	0	0	1195	0	0	1043	0	0	1301	0	0	0	0	0	0	0	0	0	0	0	0	0	497	0	645525	0	0	0	0	0	1096	733	517	797	2320	526546	260488	1757	44900	5766	0	9149	9035	632	0	0	1457	0	0	0	1264	1012	0	1152	1015	Peptide	0.2777778	1.8888888	0.22222222
12	C18 H34 O5 N4	387.2602	387.26083	-0.2944529	387.26007	0	0	0	0	0	1139	0	0	0	0	1993	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18463	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29557	0	0	0	0	0	0	0	0	0	0	164880	80056	0	7456	0	0	1470	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2777778	1.8888888	0.22222222
4	C25 H38 O1 S1	387.2716	387.27185	-0.6860862	387.27136	726	631	840	501	0	2437	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10070	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	940	552	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30954	0	0	0	0	0	0	0	0	0	0	20259	0	0	6028	0	0	469	510	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.04	1.52	0.0
26	C21 H38 O6	387.2741	387.27408	-0.3848186	387.27396	0	0	0	0	0	0	12545	0	0	0	11408	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6926	26085	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4366	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15993	0	29719	2536	0	0	0	0	0	0	0	16380	7967	0	0	0	0	0	0	0	0	5157	0	0	0	23435	0	0	0	0	0	Lipid	0.2857143	1.8095238	0.0
20	C21 H38 O6	387.2741	387.2743	-0.32084656	387.274	0	1515	1598	0	0	0	3689	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3695	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2152	0	0	0	0	2311	16938	0	0	0	0	0	0	0	84198	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5234	0	17957	42701	0	0	0	0	0	0	0	0	0	0	2695	2232	2963	30904	184164	0	0	0	0	0	42402	0	0	0	Lipid	0.2857143	1.8095238	0.0
22	C21 H38 O6	387.2741	387.27435	-0.17246412	387.27405	44043	50940	48404	48409	0	0	16310	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13423	0	0	0	0	0	0	0	0	0	0	0	1094	0	0	0	0	0	0	0	0	0	0	0	47201	34483	0	235	0	157580	787374	0	0	0	0	0	0	0	2631557	0	0	1704	0	0	0	0	1108	0	0	0	0	0	0	6029	0	0	14579	8021	824683	1457060	0	8656	0	0	4540	2860	0	0	0	0	40788	46673	214702	978437	4572904	0	0	0	0	0	1870379	0	0	0	Lipid	0.2857143	1.8095238	0.0
24	C21 H38 O6	387.2741	387.27417	-0.07782397	387.27408	1752	0	1253	2010	0	0	28871	0	0	0	1202	0	0	3379	0	0	0	0	0	0	0	0	0	0	0	1475	18647	4621	0	0	0	1126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1226	931	0	0	0	2255	0	0	0	0	0	0	0	16275	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10312	0	0	7441	8852	4350	5387	0	0	0	0	12817	11797	0	0	0	0	0	0	1851	1729	16346	0	0	0	1221	0	3322	0	0	0	Lipid	0.2857143	1.8095238	0.0
12	C20 H38 O5 N2	387.28534	387.28592	-0.13237275	387.2853	0	0	0	0	0	0	0	1886	0	0	0	0	1289	0	1091	4675	0	2461	0	0	0	0	2213	11898	4446	0	0	0	0	0	2588	0	0	0	0	0	0	0	0	0	0	0	1118	0	0	1720	0	0	1849	1629	0	0	0	0	0	0	0	1877	0	0	0	0	4632	1120	0	0	0	0	0	0	0	1123	0	0	0	0	0	1436	0	0	0	0	0	0	0	0	0	0	0	6962	0	0	37717	0	0	0	1524	0	0	0	0	0	0	0	0	5810	0	0	0	3326	Lipid	0.25	1.9	0.1
28	C25 H38 O3	387.28937	387.28973	-0.22284326	387.28928	19293	17324	20179	17053	14782	12636	51295	37358	14542	6257	21105	13804	8858	53961	20797	21398	25129	7532	16859	9971	4287	11146	17146	14356	33721	22333	42940	46976	37172	30298	15911	30551	19613	17738	6883	35364	18773	33989	28560	6636	9756	15297	1610	1632	3074	8871	5398	1814	23923	24540	17773	18548	19938	3785	17096	22924	14092	36772	17007	9278	22710	8759	9104	10798	17324	18753	25430	32020	16316	6211	9230	10951	13713	28238	22433	19507	0	24409	33060	28532	19301	15244	16327	15419	28987	20786	82416	39014	30506	57444	23858	20993	23639	16710	7731	0	18709	21359	30462	39881	73229	33339	19129	16773	17480	22373	33553	1363	29391	4531	Lipid	0.12	1.52	0.0
22	C25 H38 O3	387.28937	387.28967	-0.21473734	387.28928	4818	2392	3427	4070	0	0	13754	5659	0	1860	1400	2540	0	0	3155	7161	34935	0	1823	0	0	0	1875	0	6364	2085	12328	1291	7330	9096	2325	8693	6351	2249	0	10055	1893	5747	34445	0	0	3071	0	0	0	0	1708	0	9037	4343	3553	5576	7053	0	0	1542	2439	6240	0	2893	3434	0	0	0	6018	1994	3616	34936	0	0	0	0	1988	2862	30688	5243	0	1317	8867	3372	5521	1784	4328	1445	2909	2073	21513	2099	4410	70302	0	0	2811	0	0	0	3868	3971	1718	2584	3109	6508	2129	1208	0	2257	2566	0	10220	0	Lipid	0.12	1.52	0.0
24	C25 H38 O3	387.28937	387.2897	-0.24482797	387.28928	23142	26334	24843	23643	11499	6936	54332	18779	7198	3091	10278	17640	5773	20293	20057	42029	75613	3946	15314	4148	7460	8429	11108	12227	28767	13239	57329	13332	24321	30216	17976	31794	21132	17524	8221	35029	23732	19480	80003	2894	12821	14636	0	0	0	4974	10313	0	34324	25008	24367	21080	26307	0	16017	13759	12458	33846	7292	19404	26217	4136	6832	6585	22558	17932	29625	84692	7071	8731	14206	5172	13982	25019	64047	29147	0	9610	36598	20063	17591	9292	22887	17016	21194	21620	72685	14710	25818	192573	26702	18593	26674	11057	5737	0	22829	22218	12941	13759	20466	31960	14092	17614	9413	17636	12736	0	45656	5606	Lipid	0.12	1.52	0.0
18	C19 H38 O4 N4	387.29657	387.29688	-0.2074141	387.2965	8885	9217	7941	6417	0	0	0	24339	0	0	4415	119166	0	0	16684	133155	12695	0	0	0	0	0	2650	0	6637	0	0	0	0	40647	351189	0	36097	0	0	0	58613	23778	4178	0	0	0	0	0	0	0	0	0	32077	11405	7258	7821	0	0	0	0	0	34783	0	0	128460	0	0	0	3335	0	0	8302	0	0	0	4663	0	0	30173	4556	0	101131	0	0	0	0	0	34130	0	0	0	0	0	0	0	0	0	0	0	522	6841	7256	0	0	0	23283	58513	0	0	301620	0	655	14892	0	Peptide	0.21052632	2.0	0.21052632
26	C26 H42 O2	387.32574	387.32568	-0.12887354	387.3257	0	0	0	0	0	0	24527	0	0	0	2492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24795	2580	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3939	0	0	2454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2427	0	0	0	2648	0	0	1535	1480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.07692308	1.6153846	0.0
8	C19 H10 O5 N1 S1 Na1	388.02502	388.02582	0.2697942	388.02512	1501	2016	1708	1142	0	0	696	15296	0	0	0	1278	0	0	817	7010	11455	0	0	0	0	0	1357	6000	0	0	0	0	0	20118	3435	0	0	0	0	0	0	0	12675	0	0	1074	0	0	0	0	0	0	0	24290	2380	2102	0	0	0	0	0	4689	0	0	4016	0	0	0	0	0	0	4550	0	0	0	14396	1139	2202	18016	5583	0	0	2187	0	0	0	0	0	0	0	7202	0	0	0	0	0	4092	0	0	0	2632	1384	0	0	0	0	0	0	0	6828	0	0	647	0	Organosulfur	0.2631579	0.5263158	0.05263158
22	C18 H13 O9 N1	388.0663	388.06674	-0.1537072	388.06625	5902	5267	3617	6941	11583	7167	1342	1275	12223	14896	3636	1686	16615	0	2384	5179	1533	13098	9245	3420	11031	32050	3163	3496	1891	0	0	0	1320	1161	1219	0	1991	1194	14126	1404	3607	3777	2100	7403	10570	3585	0	0	604	5766	12430	0	0	1284	6235	4644	9878	432	5382	8426	4281	1946	1141	3642	4720	9066	17364	11580	1682	11774	4162	0	2862	0	2404	1864	0	0	0	0	307	0	10338	20566	4976	5937	1747	2535	12902	4826	5219	5433	3783	5861	2840	0	3650	38929	30011	0	4080	5852	5177	14635	10118	2941	0	1580	5022	0	7848	0	2365	22313	Phytochemical	0.5	0.7222222	0.055555556
20	C18 H13 O9 N1	388.0663	388.06674	-0.09897447	388.06628	6143	13256	9271	6018	11922	7339	2132	1862	14682	27579	9718	2309	18285	5990	5460	4949	3034	19071	12851	8005	21437	37462	4585	6652	2422	1739	1352	3594	0	2189	0	2763	3160	0	34521	1284	5909	3247	2765	14376	23779	7032	610	0	398	10254	18724	953	2318	0	6843	8996	12266	809	14600	13782	5580	2249	2883	6114	2465	13051	27020	18651	8038	17533	2174	4102	5001	1717	6634	1418	0	1591	2529	0	0	2429	10884	30700	5720	9902	0	7418	15613	4471	6506	10561	7520	7512	2621	6447	7826	44688	45014	0	10728	9206	8932	14244	13972	6683	3116	5057	9402	7705	6327	0	3857	23946	Phytochemical	0.5	0.7222222	0.055555556
16	C18 H13 O9 N1	388.0663	388.06677	-0.08659812	388.06628	12678	15324	11321	12491	21708	7939	2811	1843	25009	37904	18117	3005	45505	6637	3689	7278	4830	28898	21850	21872	38447	48865	9495	4502	3160	2115	2695	7879	2685	1880	3637	0	9414	1295	56446	1398	7140	7044	8370	22660	43635	8953	598	0	0	8114	26517	0	1596	1556	16607	13132	11747	0	24998	23612	9020	7230	3123	5940	0	18121	52988	23323	8993	26587	10574	5020	7487	5811	16057	2194	2254	0	0	1559	0	3309	10567	47301	6678	12328	1892	9376	27460	10429	14870	14406	9764	0	5059	10390	0	64616	66855	0	12560	12724	15739	28505	25857	7471	3215	5449	11836	0	14423	0	3652	45346	Phytochemical	0.5	0.7222222	0.055555556
12	C18 H13 O9 N1	388.0663	388.0668	-0.06969519	388.06628	5911	6259	7419	5639	11319	6667	0	0	17459	15981	13265	2628	18862	3687	1347	2126	2427	14001	19540	6671	17362	27132	3641	0	1333	0	0	0	0	0	1139	0	3781	0	32241	0	2721	1560	0	10151	15295	4806	0	0	0	3311	11336	0	1305	0	4777	8193	5908	0	17810	13128	4002	1759	0	0	0	5822	28934	18340	3401	19034	5563	0	0	2694	10304	0	0	0	0	0	0	1431	5961	0	3151	6424	1167	0	14315	5666	4532	2885	7408	6154	0	3278	3919	27593	20209	0	4486	5276	7756	18221	12778	0	2090	0	0	3095	9101	0	1919	25156	Phytochemical	0.5	0.7222222	0.055555556
18	C18 H13 O9 N1	388.0663	388.06674	-0.10893903	388.06625	13402	20402	12236	10460	22813	8119	4356	2612	19332	45519	15391	3404	32965	6480	4264	4203	4855	20994	15172	11607	22879	62941	8305	4853	0	3399	3974	6884	3839	1498	3663	5215	5068	0	42583	1764	6464	3504	7240	27912	43632	7117	828	0	0	12851	28569	480	1709	1758	13140	16064	11522	237	22354	10657	7635	4719	4816	6900	7866	20021	39212	23125	6439	24264	8738	4254	8464	3270	8323	2624	0	0	1645	0	0	2645	13061	44216	12565	15056	2892	11492	22750	9827	14132	8678	7300	11142	4455	14519	8522	57460	58504	0	16754	11621	10193	23008	21933	6825	2525	5132	13673	6773	8921	0	5091	38419	Phytochemical	0.5	0.7222222	0.055555556
28	C18 H13 O9 N1	388.0663	388.06665	-0.14835913	388.06625	8378	7711	6969	6997	12520	5756	2747	0	10244	18324	4335	2245	13036	2809	3379	2837	2221	14321	16350	5050	13335	25944	7116	4040	2292	0	3413	1895	0	0	1585	1214	4298	1136	18641	0	3630	2957	2643	11308	17106	2115	0	0	0	6264	10852	0	1991	0	7279	6671	9219	0	12147	5749	3180	2894	2639	3349	2597	10062	16955	11619	3297	10802	5665	3494	2289	1589	2574	1372	0	0	2562	1231	0	1882	7173	17757	5963	5718	2498	2043	8871	2537	7103	5514	7098	7478	5097	9025	6396	23976	33218	0	6458	7468	4741	7506	6789	4190	2865	3697	5230	4766	4209	0	3295	21381	Phytochemical	0.5	0.7222222	0.055555556
14	C18 H13 O9 N1	388.0663	388.06677	-0.0896986	388.06628	10638	13299	12471	11744	21113	6254	2130	1948	28689	28772	17818	4581	34658	7236	3183	5062	3072	19717	25231	15585	26865	48073	5304	4841	2106	2648	1593	9176	0	0	1749	0	4278	1483	41969	0	5427	4700	3876	12516	37388	5291	0	0	0	9572	22975	0	0	0	10977	11732	10124	0	22510	18434	10670	6319	0	6201	0	13222	45246	28323	6465	28924	6485	4028	0	5915	16177	1387	0	0	2046	0	0	1757	11078	35654	6537	11868	0	5974	21676	9549	9851	7857	8588	14632	4762	8270	8215	55480	49292	0	16522	9547	18115	30484	19697	4643	2506	3055	0	5833	15645	0	3855	40230	Phytochemical	0.5	0.7222222	0.055555556
26	C18 H13 O9 N1	388.0663	388.06665	-0.1395669	388.06625	6320	5914	6862	5256	5570	4426	0	0	9512	14687	0	0	10593	3204	0	0	0	11709	12385	0	9765	25754	0	0	0	0	0	0	0	0	0	0	2151	0	20214	0	2128	0	0	8855	11273	0	0	0	0	6318	10388	0	0	0	3681	3953	7517	0	10728	7333	3059	2516	0	0	0	6288	16198	11488	2805	8124	1998	3449	0	0	1950	0	0	0	0	0	0	0	5848	16297	4083	3500	0	2611	9704	0	4435	0	3020	3699	3449	2117	4414	27145	36987	0	5643	5925	5225	6647	0	0	0	0	0	2442	0	0	0	20214	Phytochemical	0.5	0.7222222	0.055555556
24	C18 H13 O9 N1	388.0663	388.06662	-0.20121379	388.06622	4728	4837	3159	4648	7441	7746	0	0	6537	11088	3435	1618	13105	2778	2176	2922	2008	12579	7227	3226	7315	24318	3438	1261	1284	0	0	1488	0	0	1294	0	2836	0	11888	0	1909	1932	1338	6152	10969	1522	0	0	0	2132	9571	0	1145	0	4793	4187	3288	0	7237	5579	3359	2037	1730	3035	2601	5696	14409	10870	2732	12096	2529	1442	0	0	0	1176	0	0	0	1433	0	1555	6446	18948	6638	6142	1870	1676	8473	4328	3563	2487	3988	2643	0	3641	2247	30142	34616	0	6567	3710	2905	7571	7065	3062	929	0	3598	1615	4436	0	2935	18600	Phytochemical	0.5	0.7222222	0.055555556
12	C15 H17 O9 N1 S1	388.06967	388.0701	-0.4688971	388.0695	4641	3651	5302	3044	4766	3500	4172	6840	4099	10123	8858	6291	8699	1377	3685	4121	8823	4759	7128	7863	10736	12380	4918	0	1664	0	0	0	6084	3182	3633	1785	5554	5637	18916	6925	4057	2645	8771	9229	13760	3212	0	0	0	5981	11723	0	2316	2735	2473	0	3436	0	3887	3950	2441	3623	0	7765	0	11597	6450	5733	2271	4521	1987	5372	0	1221	2586	5580	8200	5027	1579	3869	0	4705	4198	0	2817	6435	6515	0	4933	1383	5091	2804	3440	9829	0	8682	6388	22179	13839	0	3293	4299	2677	4631	3442	0	4963	0	0	5211	3304	0	3363	9107	Organosulfur	0.6	1.1333333	0.06666667
14	C15 H17 O11 N1	388.08743	388.08804	-0.07236812	388.0874	8480	4403	9352	11071	27646	16772	0	1569	35111	0	9286	8901	64983	12832	4488	2769	7674	36537	27261	3055	12591	0	11381	0	1622	0	1105	0	1509	2630	0	0	4347	1582	4595	2681	4123	5583	0	0	7058	15852	0	0	256	3227	6080	402	1616	2125	3906	8641	18257	0	44655	44798	14038	0	0	0	0	6270	47484	45449	11488	26822	13860	3846	0	0	2716	3124	1662	0	6446	1080	0	4897	3218	0	3262	4271	0	1015	35942	11901	4810	17161	13492	0	3152	0	3863	10077	3763	0	8343	12187	25761	35647	38042	8353	8224	4953	0	4476	24981	0	0	47962	Phytochemical	0.73333335	1.1333333	0.06666667
8	C15 H17 O11 N1	388.08743	388.08804	-0.05563068	388.0874	6416	8122	6557	8881	19053	7781	0	2111	22126	4315	8618	6504	39384	3706	2634	2281	4867	20318	21354	6202	14111	11578	6921	0	699	0	969	0	1706	1730	2830	1395	3814	2220	4896	1783	5605	3192	3793	0	4847	14839	0	0	0	1974	5092	0	2392	3103	8163	7591	13417	0	35528	33070	9887	2910	2214	4862	0	1939	48661	39777	9190	23062	9807	4337	0	0	0	2960	2313	1786	3990	3035	0	2004	3700	0	3008	0	922	0	27607	5226	2805	13412	9734	8219	0	0	4917	11002	4280	0	8375	10907	19962	29056	28661	9451	3660	3423	0	4619	21160	0	938	42754	Phytochemical	0.73333335	1.1333333	0.06666667
12	C15 H17 O11 N1	388.08743	388.088	-0.016491828	388.08743	8687	9382	11076	11977	34166	15544	0	4419	46583	0	14149	7705	61319	10116	7488	2632	11865	41031	46691	5864	22217	13195	15242	3777	1076	0	0	0	1711	3544	3130	2567	4068	2201	9859	1578	6262	4948	4312	2552	16871	22773	540	0	0	2302	7283	0	2936	5419	11372	8503	23476	0	64246	59365	16441	3438	4794	8216	0	13599	82470	55239	16866	36353	16094	4034	0	0	0	3102	2835	1105	6024	1516	0	6869	4905	0	5734	3909	1057	0	49900	16261	4251	17706	13700	6217	0	4472	7886	18969	4923	0	11186	16040	41322	39410	48531	9301	7721	3169	0	6080	35560	0	1130	73230	Phytochemical	0.73333335	1.1333333	0.06666667
16	C15 H17 O11 N1	388.08743	388.08798	-0.026051618	388.08743	3641	4708	4347	3816	15977	7756	0	2198	23414	0	5359	2998	31043	7417	2262	1616	4512	21073	15125	0	6180	3411	5746	0	0	0	0	0	2395	0	0	0	3327	0	0	0	2008	2807	1887	0	0	8666	938	0	304	2190	3722	690	0	1493	3234	2962	10694	0	30567	24430	4372	0	2622	3843	0	2580	23858	23782	7662	16723	8666	2702	4121	0	1823	2839	0	0	1948	0	0	3197	2606	0	2420	3383	0	0	22309	5603	2293	7356	5152	0	0	2452	0	5047	0	0	5352	5279	15475	15258	20772	0	5617	0	0	0	17103	0	1258	30775	Phytochemical	0.73333335	1.1333333	0.06666667
6	C15 H17 O11 N1	388.08743	388.08817	0.084102936	388.08746	8202	7459	3804	3094	13058	3096	0	1698	16640	2242	3412	3728	28072	3414	786	3666	0	18134	20554	2384	9920	4802	8982	4218	2348	0	0	0	2188	2690	1768	2938	4142	0	5848	1228	3776	2630	0	0	6118	8854	0	0	0	0	0	0	0	1998	3860	5933	8648	0	21048	24634	6205	931	0	3802	3724	0	44661	20304	6592	16804	6038	5124	0	0	0	1680	1620	1786	0	1542	0	1616	29454	0	13517	1260	900	0	18134	3764	35476	9312	6666	12411	0	0	12089	3586	5552	0	4097	5856	9712	20086	22288	6369	1250	5496	0	4893	13820	0	7736	33970	Phytochemical	0.73333335	1.1333333	0.06666667
10	C15 H17 O11 N1	388.08743	388.088	5.8548E-4	388.08743	11126	9337	10867	12593	33883	12338	2074	3031	37690	5202	12323	11184	69215	8170	7812	6767	10066	39078	38421	6839	23003	15154	13075	4240	0	0	1259	0	2410	2254	3053	1860	9270	2712	11348	2294	6236	4880	6708	2595	9943	19588	626	0	0	4988	8852	0	4840	4072	12534	11736	18911	0	59731	51237	13776	4351	4010	4713	0	7792	72381	58706	15805	36061	14051	7861	0	0	0	4080	2911	2147	7804	1787	0	5117	5498	7259	5862	2655	908	0	43020	9943	6067	18989	14260	7094	0	3539	9812	20739	9198	0	12600	15625	29181	40588	51262	13142	6737	4914	0	6719	32689	0	1729	73209	Phytochemical	0.73333335	1.1333333	0.06666667
24	C19 H17 O8 N1	388.1027	388.10303	-0.19475786	388.10263	7617	6682	5985	6311	5135	4002	1484	2208	5102	33440	11612	1826	7592	2665	2093	1732	2568	9060	8877	6884	15766	27949	3240	4924	2521	5964	1419	4365	2213	0	0	0	1676	1184	32657	0	4102	1526	3716	11759	19283	2411	0	0	0	10880	17549	0	1293	0	4366	3650	4463	0	8187	5697	4678	2340	2417	2527	4141	8326	12844	7776	2700	7056	4295	2005	10437	15425	13776	1170	1414	0	1257	1100	0	2947	4314	20899	5171	9549	1588	6375	7269	4017	3549	4739	3170	3252	4755	3633	5304	25817	38739	0	5842	7246	3490	7133	3599	5925	1813	2871	9020	3863	2983	0	3613	12979	Phytochemical	0.42105263	0.8947368	0.05263158
28	C19 H17 O8 N1	388.1027	388.10303	-0.18431069	388.10263	5062	4212	5445	5154	3284	3052	1743	2221	2883	20115	7054	1362	5541	1607	0	2560	0	5768	3924	3229	9375	11808	3097	2850	3194	0	1403	4483	0	0	1014	1342	1694	1203	14627	0	3149	1946	1732	7105	10055	0	0	0	0	5286	8191	0	1775	0	4445	3241	2962	0	4555	1972	1473	2020	2090	2858	2048	5565	6810	3971	2210	2523	3332	3181	6433	5706	9231	1050	1231	0	2191	1176	0	1550	3107	11748	2178	2832	1803	3448	3742	2893	2670	2818	2614	2652	3775	4755	4516	12590	18686	0	3833	3145	1370	1920	0	2455	1171	2313	4008	3599	1490	0	1559	6007	Phytochemical	0.42105263	0.8947368	0.05263158
16	C19 H17 O8 N1	388.1027	388.10315	-0.11266349	388.10266	73769	76769	77555	75306	64883	39262	23844	23755	71538	264431	140989	20612	107919	36129	23460	35609	21452	89513	101521	154092	202688	172959	36871	37056	28205	119987	19029	82466	19747	15474	20437	22412	46395	22382	334406	16542	42642	26086	32301	163482	188315	29416	2105	0	414	91570	128287	460	28374	19301	64161	77018	51466	448	84342	60611	33816	34970	30248	28940	35600	111412	120543	65432	24644	85394	41120	24312	159903	194432	210730	20979	13779	10311	17931	19090	463	20365	56416	140462	39387	84833	24769	102964	72723	40743	58065	40664	34910	61004	61022	78550	49509	185650	243072	584	73365	66278	47202	64016	62050	41734	13714	36117	66196	40280	49819	394	31279	115766	Phytochemical	0.42105263	0.8947368	0.05263158
20	C19 H17 O8 N1	388.1027	388.1031	-0.14767098	388.10263	32122	33451	33529	29393	37433	25841	10591	8293	38424	129911	55966	7345	61004	17873	6550	23097	7854	42383	51231	53299	79723	97533	12346	19758	13569	41190	6870	36880	7702	9178	6919	4712	16250	8645	124054	7001	21473	12232	12105	76673	73765	17094	1548	0	336	51197	72228	1063	10698	5555	28743	38456	27417	432	40391	35869	17853	17327	14172	13598	14238	53809	57595	30974	13533	47206	22969	11714	58750	63283	85722	11742	6691	3326	7453	4182	639	9274	23352	71474	15947	39849	12059	50050	32479	21241	23939	18757	19289	24289	25016	32308	23858	98353	110951	598	36008	34240	22877	33039	37392	15172	6331	20367	43003	21972	27189	587	14447	68474	Phytochemical	0.42105263	0.8947368	0.05263158
10	C19 H17 O8 N1	388.1027	388.10324	-0.055739045	388.10266	34161	32295	30561	32886	33703	14825	7250	8191	38090	108238	75674	8852	58808	16515	10475	18138	12452	38108	37322	60415	101722	74390	16678	15987	7336	51567	8485	32857	11064	5877	7799	9436	15852	7506	144642	5577	16681	11561	17520	58887	91045	12324	676	0	0	34362	59485	0	12314	10061	32460	41792	22521	0	43033	30872	13956	19964	12058	16749	13326	45102	59036	36784	16396	43179	17048	13875	88250	76025	124459	9183	7138	4343	8910	9646	0	8357	22881	41789	17601	29583	7551	28892	34835	15938	19582	16297	14658	29647	14524	27431	30288	81116	76933	0	34058	32139	30909	41849	35172	15507	9046	17083	23658	18135	25034	0	10914	58887	Phytochemical	0.42105263	0.8947368	0.05263158
8	C19 H17 O8 N1	388.1027	388.1033	-0.061446596	388.10266	15697	17047	13543	17322	20467	7957	3184	5401	24930	62521	45971	6145	37738	7438	5342	7126	8164	18899	20623	39056	56899	42037	10589	8028	1914	17803	3850	19567	1997	3376	3444	4741	8844	5037	86978	4901	8194	5955	9337	29933	53925	8077	0	0	0	25233	39116	0	5201	4552	17134	16819	13168	0	25981	22118	10441	9089	5771	8354	6160	22656	38335	24130	7677	23854	11363	9159	47574	36443	74082	3719	4812	2767	5399	4303	0	3245	13171	18393	8950	15186	3815	10294	18721	8058	12951	9947	9322	13749	0	11772	9423	37327	32524	0	16305	17553	18058	26342	23234	8426	5070	8405	10860	6246	17011	0	3843	35928	Phytochemical	0.42105263	0.8947368	0.05263158
22	C19 H17 O8 N1	388.1027	388.10312	-0.09795699	388.10266	15684	12851	13526	11324	13991	12721	4932	2911	16243	64378	25140	4150	16760	8285	5035	6715	6609	23873	12029	19945	32101	51866	7041	8215	5112	15760	1782	16849	5244	1107	2924	0	8427	3001	55667	3802	7199	4473	3812	37964	38229	7376	0	0	448	27415	39734	0	5760	2809	14387	11462	12964	677	15538	12946	6625	9131	3432	4891	6200	23998	24521	18936	7397	23813	7126	6778	17498	26192	41740	1149	1995	1028	2731	2574	645	3459	9562	33650	6994	21198	4221	19201	14532	8537	7807	6691	8600	10853	13312	14789	12138	49377	61363	0	18871	17017	11026	15964	16382	8542	5046	5928	19848	8149	10016	0	7598	25703	Phytochemical	0.42105263	0.8947368	0.05263158
12	C19 H17 O8 N1	388.1027	388.10324	-0.058464568	388.10266	48313	48478	48887	48575	46280	24128	13816	20573	58008	160978	99683	10894	67862	17998	16532	19229	20375	61377	62557	101120	158465	121109	25853	22002	17039	84630	10258	54870	17472	11375	13406	14190	26498	15540	227574	12523	23966	17522	24730	105689	149539	22313	501	0	0	68332	111857	0	20039	10598	47918	50641	33860	0	65103	41223	20796	33941	20265	28152	19944	75560	99327	57449	16483	61196	23561	26156	139177	127585	209732	9864	11615	6332	10994	14541	0	14403	31132	76817	27030	54414	17198	56029	55787	28325	32890	21938	24173	50310	29554	50493	44396	128643	104167	0	46167	45530	51567	51469	43613	23462	14963	24438	59430	24752	39252	0	19815	84665	Phytochemical	0.42105263	0.8947368	0.05263158
6	C19 H17 O8 N1	388.1027	388.1033	-0.1260578	388.10263	5517	7128	5224	7813	6896	3546	927	2015	12511	24236	15799	1816	15661	2651	2279	3686	3142	7944	8484	10152	23417	15475	3911	2985	1109	5468	1518	6631	1803	1081	1420	2426	3090	1264	32113	0	2654	2325	2160	10033	20314	3717	0	0	0	6302	21298	0	1778	1933	7486	7670	5518	0	9639	10805	3531	3822	2547	2647	3277	7134	16856	8809	2768	11657	5005	2801	14345	10629	22681	1308	1335	942	1272	1434	0	1807	4741	10350	2349	4566	1559	4237	9046	4811	4212	2913	3445	5239	0	3539	5125	18918	16907	0	5246	5999	7589	14345	11405	1706	2663	3041	0	2332	6169	0	1797	17826	Phytochemical	0.42105263	0.8947368	0.05263158
26	C19 H17 O8 N1	388.1027	388.10294	-0.2394113	388.1026	5086	3398	7051	2983	3694	2478	0	0	4338	20753	7371	0	6437	1902	0	0	0	0	0	0	12384	17415	0	0	0	0	0	2464	0	0	0	0	1846	0	18050	0	3581	0	2935	8332	10491	0	0	0	0	5751	12148	0	0	0	4147	5754	3822	0	5285	0	0	2548	0	0	0	6321	7096	4254	0	4791	0	3764	0	7251	11033	0	0	0	0	0	0	0	3461	10491	3487	4853	0	3239	0	0	2634	2625	2616	3127	3443	2572	0	16293	30775	0	7125	0	0	2030	0	0	0	0	0	2506	0	0	0	7237	Phytochemical	0.42105263	0.8947368	0.05263158
14	C19 H17 O8 N1	388.1027	388.1032	-0.09370082	388.10266	77462	62729	60228	71572	53350	39662	20572	22713	74654	246226	137688	16706	107589	37315	25025	34413	25957	72468	74436	143351	193895	193900	32601	32633	22611	121819	16232	100237	23760	14259	18697	18628	43161	20172	311554	22433	28745	22994	31109	143777	187959	33021	0	0	0	87289	140495	0	26510	15043	64270	68113	45805	254	87582	59306	29592	32102	37962	32674	35941	107312	111288	71121	34539	89045	37487	27126	183011	187752	238673	15947	13973	11771	19512	20976	0	18741	43088	145605	35005	74957	24178	78749	72162	37900	48148	38138	36786	64427	45593	63651	61129	167273	200856	0	67347	64582	55044	71188	56116	30370	18118	38139	71235	38195	43288	0	27492	107518	Phytochemical	0.42105263	0.8947368	0.05263158
18	C19 H17 O8 N1	388.1027	388.10312	-0.12425309	388.10263	66939	61003	54905	51809	50886	38442	17592	23215	54940	211659	111024	14431	104140	36534	18543	26780	16870	80663	78171	107632	147005	163752	27551	28060	20308	85969	18150	70557	22118	12347	18676	12190	31794	13589	231306	12879	35440	19102	18336	133041	124845	30380	1740	341	0	77163	100510	648	23915	10162	62361	54151	42890	564	59334	44753	23130	34059	28218	22089	23354	81588	90887	57292	23381	68756	34687	22545	99874	129707	146607	18251	10559	5211	11013	12885	374	13732	37106	113941	28468	70104	22024	72156	60301	32502	38214	33926	30590	39587	58359	65618	50565	139946	197845	0	63815	56119	40745	52894	46841	30732	14620	27828	54387	28479	38836	365	24699	87102	Phytochemical	0.42105263	0.8947368	0.05263158
14	C16 H21 O8 N1 S1	388.10608	388.10657	-0.07092717	388.10605	11999	15097	12824	9212	10275	7264	5023	7481	8243	22394	10958	4304	20825	4418	3406	9232	5499	15969	11831	17340	16337	22757	4398	6519	5144	10918	4015	0	4052	6852	5344	0	11781	4390	29984	3163	8029	4363	4001	26394	26077	6479	0	0	0	15988	10041	0	6734	5676	11068	10567	8621	0	9798	6952	4378	14649	15712	8444	0	25904	7536	10111	4240	11106	5428	8391	14071	20586	11215	6938	4987	3605	4477	5398	0	3867	5088	17979	5023	8175	10706	14655	6405	2672	6780	6712	7465	5824	39120	33987	14110	16895	32865	0	10421	6785	4197	6177	4611	7259	3909	19412	0	9814	9516	0	6497	15130	Organosulfur	0.5	1.3125	0.0625
14	C16 H21 O10 N1	388.1238	388.12433	-0.094648495	388.12378	502617	482439	467634	504525	638799	568941	255678	470328	1004976	597195	569973	363924	1454409	311166	490410	433560	537477	1298940	1124463	901299	1356513	637269	627531	459855	207738	305760	192345	236241	419598	431190	315114	309657	524481	307287	895557	436848	441108	396576	367416	548898	693669	610683	28821	4656	3279	553206	843600	2988	327351	465522	485070	397497	606838	2877	1842774	932103	388161	317121	593088	378360	530712	774078	1103766	1156734	370056	668902	528564	311304	1108755	502557	666327	322746	348450	455115	392283	315870	2214	356988	361137	562806	367284	435975	172584	220674	994308	495147	329235	455880	479418	296439	165660	316476	546564	554751	509250	6549	452982	722739	689937	553536	729372	622227	340557	471342	794790	338178	780141	2997	170718	1198962	Phytochemical	0.625	1.3125	0.0625
6	C16 H21 O10 N1	388.1238	388.12442	-0.1388282	388.12378	30368	27688	25203	27685	31803	17290	10646	33659	41614	40108	31971	18808	78404	13366	20246	31253	35404	65383	57958	35824	59466	36318	26602	33648	8160	6832	11994	11117	21272	23826	19679	21555	30854	20727	38661	26943	27748	18114	33383	17116	30296	36637	800	297	0	23572	32464	0	25767	25470	27305	27464	29735	316	66009	56987	22065	22006	20467	31705	33524	20662	78118	53769	20981	46961	32653	37515	22466	9409	20924	23182	24879	19621	18060	16274	0	15263	18938	11605	18559	11295	10145	4598	58851	28721	16854	32786	27336	32498	7763	14301	32055	24386	31559	0	27282	40482	30049	45682	61743	36487	20541	35690	17288	25736	46762	0	10728	78527	Phytochemical	0.625	1.3125	0.0625
12	C16 H21 O10 N1	388.1238	388.12436	-0.09410679	388.12378	169337	167129	182257	160845	229208	174898	95614	203091	365638	247269	242498	135458	507051	95296	164251	133688	197935	502929	490097	362026	528294	280030	233464	164218	71413	72344	63809	105760	166586	124041	133543	114757	209022	110344	438116	140980	169689	136769	148042	222204	282078	220633	8486	897	715	210692	276269	934	117092	159983	174027	150408	228768	1353	735499	334514	149125	127531	209735	185007	146801	284785	519818	448578	120274	312332	189931	141789	386481	139262	269174	125821	128048	134780	123056	98672	608	135795	126765	171677	127143	139483	74886	74363	323681	173507	114295	152192	180363	132952	68343	143411	184641	235715	163773	1525	178426	263159	295898	207827	252671	215826	129163	167747	256254	147384	315978	782	69222	517983	Phytochemical	0.625	1.3125	0.0625
28	C16 H21 O10 N1	388.1238	388.1242	-0.15585293	388.12375	5355	5491	7368	5841	7558	6465	2863	6212	6721	11636	5987	3189	8438	2206	4702	4092	5350	11988	9775	16901	21127	5349	4603	5667	0	4259	3271	2832	3884	3440	5209	2492	5160	6086	11071	5408	4619	3456	4013	7960	11543	5644	1295	0	0	5045	10183	0	5660	5281	6190	5826	4643	0	9698	4887	3458	3428	4012	4252	3610	11009	8309	8284	3564	6078	4561	4169	16797	10136	19611	5274	4323	5171	7259	4508	0	5592	4596	3751	3284	4202	1684	4872	8140	3272	2917	4798	5360	3252	2837	3246	4479	2986	2563	0	6593	8524	5696	3161	5331	5068	3760	5062	5667	3079	6799	0	3247	13745	Phytochemical	0.625	1.3125	0.0625
18	C16 H21 O10 N1	388.1238	388.12424	-0.1343896	388.12378	53660	46666	59112	48425	69446	47555	22331	57622	72112	35264	49520	53649	116692	32836	52848	50824	52442	115619	98014	63294	106784	35796	62393	41918	18787	26937	23093	20362	40619	45189	33146	35416	55246	55652	44312	42440	46883	32149	46195	41257	81223	55948	4858	1182	1242	44967	92251	1322	46237	49067	58145	48768	59677	904	124927	79017	44964	33203	41081	43618	43218	66026	95877	94037	38419	61063	50496	37535	114367	39770	96376	0	40911	43772	51221	42516	1444	42972	42141	30774	41625	44215	17904	23011	104531	59616	32322	49074	45285	25009	9925	27701	56694	41634	31611	1423	44019	57611	67100	49495	72536	55921	38696	42900	55657	40763	74744	1229	17149	93220	Phytochemical	0.625	1.3125	0.0625
18	C20 H21 O7 N1	388.13907	388.1395	-0.108738355	388.13904	122008	105437	113585	108984	84584	69179	48632	65598	85059	344439	216736	35225	115905	53123	43365	66135	43132	101477	121513	262507	296905	182877	55017	96554	51792	268754	40711	178889	58161	43129	53982	55781	86988	53187	362197	48940	82618	40016	52932	261884	222825	55816	2944	474	545	130269	144119	598	65732	44745	110392	109371	66389	567	92880	68117	44975	76079	63516	56147	64074	172806	114033	69805	40464	96365	66086	54552	249080	381090	386740	58005	42851	35816	36376	52599	269	38602	64774	141073	54055	105747	55902	158488	93291	46481	75660	63439	67682	76812	107972	140427	122469	161917	249732	540	100415	113186	65871	70778	60550	70359	39232	75895	86442	68390	50351	669	53102	109056	Phytochemical	0.35	1.05	0.05
22	C20 H21 O7 N1	388.13907	388.13947	-0.17263776	388.139	29554	25378	20084	27381	23184	14499	5019	12686	22966	87796	55175	7736	24758	12932	11630	16589	12991	31482	25767	56784	76385	52808	15713	19688	15132	63262	5690	49156	15351	8031	9618	12467	17053	11689	92370	14124	14528	10885	12334	55961	63113	15853	3864	0	757	47542	50911	0	12290	9717	24008	31168	17355	429	24059	21031	9811	17287	15711	12760	20036	43520	24392	19669	7157	26654	17274	12227	68378	76670	100653	11108	7064	8071	8103	11245	617	8240	21892	41888	12094	32876	11911	43053	25457	15864	18220	16837	14338	17641	27415	28299	28314	51464	73446	0	22464	25264	17515	25162	18084	14985	6409	16078	34690	13794	15394	0	12680	34908	Phytochemical	0.35	1.05	0.05
4	C20 H21 O7 N1	388.13907	388.1397	-0.16739678	388.139	6532	8483	7465	6689	5761	5346	2359	5356	8986	19107	10404	3235	10259	5932	4729	4169	4284	9173	7720	17556	21546	12836	5148	4711	2110	18062	2581	7676	2182	3703	4292	2859	6195	3806	21249	4219	4874	3120	6663	11535	18444	3580	0	0	0	10461	19528	0	4209	4305	6547	7459	4887	0	9951	7044	2437	4453	2610	6266	4106	9525	10167	7554	2564	6793	3998	5873	27484	23331	32770	2992	2576	3114	2545	3883	0	2337	5237	10746	4948	7921	2862	6943	6426	4443	4344	4599	4425	6256	4681	3800	7141	11244	12819	0	6706	7402	7887	8272	7493	5812	2888	7500	10968	3223	6065	0	2937	9199	Phytochemical	0.35	1.05	0.05
10	C20 H21 O7 N1	388.13907	388.13962	-0.116102025	388.13904	68097	61959	58731	53869	42262	30421	25535	40547	45657	197331	106295	22686	50765	32830	28183	43334	24506	51728	60146	165122	200986	112205	31717	46347	25025	161561	25323	73978	30751	29958	27468	37058	45074	31584	224763	30169	39396	24635	42835	144465	143937	22678	602	0	0	69826	95815	0	41322	30013	56146	65783	30621	391	51542	37026	19000	44638	27776	40555	44232	81335	52937	37863	16810	46618	30564	38658	179867	238413	247140	36112	29661	24295	26581	29335	0	21659	39567	55508	31122	54266	34271	65980	40074	21582	39930	24333	25216	72983	51361	54584	89077	79666	118155	0	59062	63422	35176	35527	36280	31543	22404	46498	34305	37335	31751	0	30634	61692	Phytochemical	0.35	1.05	0.05
6	C20 H21 O7 N1	388.13907	388.13968	-0.16580728	388.139	22468	24217	25186	24165	18562	12141	7993	15924	23189	70255	38254	9528	27991	9404	12300	19061	12903	20421	22802	59652	90036	40756	12965	18527	8473	49959	7982	32708	10801	11054	11198	11859	18822	12197	85115	12863	16587	10840	14758	38459	56568	10616	0	0	0	28694	53616	0	13816	12260	24988	22670	12973	0	25432	16436	7950	17919	8410	16815	16630	32248	25269	21128	8251	20650	15656	18467	67805	83547	123723	11393	11927	10253	5581	10960	0	8103	14053	18708	12714	19783	8240	21986	20096	10507	15983	10149	10081	20341	20787	22217	21831	38382	43960	0	23345	21953	16487	17934	19377	17212	10998	20629	14952	12390	14158	0	9326	26580	Phytochemical	0.35	1.05	0.05
14	C20 H21 O7 N1	388.13907	388.13956	-0.119011045	388.13904	123241	110764	100280	116882	69401	54380	55025	65643	84622	302123	174559	39275	88770	54851	48127	80870	69070	89752	88291	249871	296918	185082	63325	84309	54743	283053	43584	173013	46015	58400	55853	63520	77915	49831	355560	58111	71867	45934	64505	241006	238172	50885	0	381	291	136401	145054	342	64684	55908	108298	103378	59914	609	81851	57284	34227	83735	76120	60005	86035	151760	110335	76496	35916	88168	53204	58272	297245	415711	425421	55139	51694	51203	48234	47446	241	45678	67527	116649	60864	90978	58041	136954	70261	41115	69797	60696	59990	93603	109255	106595	121159	158416	184968	1007	115667	103345	54314	66069	58181	69799	42302	90683	84831	65619	50260	510	57464	103362	Phytochemical	0.35	1.05	0.05
24	C20 H21 O7 N1	388.13907	388.13943	-0.16232203	388.139	10015	10320	7943	9575	11411	5709	2771	4940	8217	34508	20457	3793	10828	3857	4679	8213	4260	10163	9575	14250	25388	19018	6641	6964	2215	14861	2201	17537	4768	3494	4363	3455	5948	4723	29313	3649	6215	1981	1773	21967	22470	2098	0	0	0	17016	20561	0	3993	2906	11814	8412	6208	0	9676	8391	3420	6327	2870	4992	3755	16415	8925	9091	3414	10391	7562	3066	24017	31691	34213	3715	3366	1231	4094	3626	0	3854	6414	17026	7430	13686	3333	11268	8686	5988	4969	6200	4951	7262	6086	6202	7424	15747	26582	0	10444	9490	4476	9900	7302	4990	3399	5058	11582	3978	4690	0	4179	13651	Phytochemical	0.35	1.05	0.05
16	C20 H21 O7 N1	388.13907	388.13956	-0.10366895	388.13904	115266	120648	127511	116772	86280	68757	46443	74258	94512	378847	202651	46665	121146	60835	57825	82612	56358	113562	134956	323230	322830	218801	63877	88406	61125	309793	44174	181403	67771	52721	62252	64752	93751	48552	419859	58755	91689	49444	69931	282202	267703	51527	2894	344	348	146386	164711	0	74917	60748	122793	129927	73790	902	89300	68686	47431	77863	65761	69745	96020	168644	136770	84346	40701	100670	69263	66794	305693	458122	469103	75400	58931	48702	53499	58199	832	48734	85191	153259	61450	123741	71703	175890	80624	46162	83362	61437	66053	145578	124733	144719	188385	162503	256926	874	114442	116847	63644	76033	73712	78343	41156	87367	94566	79491	68456	752	62591	126384	Phytochemical	0.35	1.05	0.05
12	C20 H21 O7 N1	388.13907	388.1396	-0.1364349	388.13904	79539	85043	80985	76393	61382	41753	40790	67655	59843	218830	125994	33247	59592	34508	32998	51635	46099	65857	78472	228185	268232	146703	44530	52634	33936	206636	39586	111324	43257	31126	45600	52788	63954	39576	313529	37107	53010	37437	65670	184611	195565	33155	1095	0	0	106530	127628	0	43405	46113	82872	76948	44475	349	67026	43045	30784	68585	44595	71715	49470	133698	80216	57050	26653	69656	41085	64871	244933	332538	387600	41086	37568	34721	37595	42743	0	34040	52274	93651	42005	70196	44253	102025	57704	30121	60577	33210	38436	100925	61053	72318	74426	113687	130131	0	81741	76888	53587	48783	39474	56397	37213	59577	66611	56892	46958	0	37577	96202	Phytochemical	0.35	1.05	0.05
12	C19 H21 O6 N3	388.1503	388.15115	-0.022525478	388.1503	38673	32592	41353	37062	20230	21213	40963	50653	14649	37001	25910	22964	19393	11018	31716	39472	58232	25769	31696	45037	43955	71874	35639	0	37478	31892	0	26678	37772	33357	35001	37822	50600	32782	0	30357	42001	33267	58283	57897	62805	22387	367	0	0	44559	55569	0	36216	35974	39069	39900	23487	0	22850	15975	17552	43141	32123	35208	45447	32938	19872	20647	13798	29223	21906	55924	19174	40741	51778	33298	35886	26013	27185	29293	0	28356	52511	28691	38848	28168	34558	38095	17441	14704	51498	25396	25097	113959	43962	59251	74559	40361	37646	0	39334	39317	15677	11852	12988	39704	24428	0	29465	51049	16133	0	0	26843	Peptide	0.31578946	1.1052631	0.15789473
14	C19 H21 O6 N3	388.1503	388.15128	0.019252403	388.15033	32779	30799	22793	36559	20671	20170	0	30927	17569	23193	18328	24264	17098	10850	27133	36111	0	20365	25352	35995	30427	50927	27489	41517	39328	23258	26235	23384	32967	17881	27659	24380	43636	29006	33363	30305	39236	23457	54914	39396	46596	19897	0	0	0	29407	33017	0	32693	23283	29503	31271	22335	0	18130	11080	18203	47668	23901	23728	44449	28681	14257	10823	14103	20355	24083	0	22120	36276	32927	27770	24547	18088	30071	25514	0	21145	37645	28351	28253	23751	27394	20778	15865	12499	43692	29864	21971	94566	46994	47073	75881	23604	30373	0	32778	26362	16234	13341	10949	40254	22317	33214	0	43414	12185	0	0	22148	Peptide	0.31578946	1.1052631	0.15789473
10	C19 H21 O6 N3	388.1503	388.15106	-0.007977726	388.1503	57220	51781	45792	45650	21300	21753	0	59607	19721	54992	36694	35801	23403	18075	36538	63110	59783	31849	34764	59595	62642	75814	41270	75283	0	34508	33395	26970	44250	44366	39279	56946	61758	51281	57644	49927	66719	37575	72072	78745	79639	25823	0	0	0	49396	58246	0	63634	45489	56378	53323	28637	0	21164	13471	15928	70376	34394	46633	68554	41580	27769	26828	0	27147	28806	0	36439	56675	60109	52622	41755	35673	0	40884	0	37840	54590	40158	45453	39435	39649	0	19134	16683	0	0	31174	0	0	56980	110764	42478	55284	0	56363	51850	17185	17355	17139	58520	32190	61545	28092	0	17286	0	0	24567	Peptide	0.31578946	1.1052631	0.15789473
24	C24 H21 O4 N1	388.15433	388.15503	-0.20109133	388.15427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1539	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5177	948	0	0	0	0	0	0	0	0	0	0	0	1913	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25658	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25673	23509	0	0	0	0	0	4207	0	0	0	Phytochemical	0.16666667	0.875	0.041666668
10	C17 H25 O9 N1	388.16022	388.1607	-0.16434437	388.16016	239430	204605	216506	196294	169842	136440	151004	340841	224310	273757	162508	192236	321593	83735	263048	300970	210316	360790	355069	391121	402311	240236	302274	366861	170738	228126	124678	106903	289638	294970	223464	227657	259696	211709	301602	274506	245998	195897	184170	238647	230775	203385	8204	1249	686	288837	254785	726	211622	305828	218168	228252	154999	2000	429953	236497	114177	228939	274071	196191	304429	186974	238237	254502	110253	202365	147978	188187	281377	245909	262435	236129	220639	289381	185375	229951	0	188665	217044	125692	220328	163727	174354	102054	290714	176933	189323	145053	162769	170001	113674	180714	329240	149451	210744	3575	211714	317537	163265	168905	227561	294448	189866	350028	192830	186622	228500	806	139670	281343	Lipid	0.5294118	1.4705882	0.05882353
14	C17 H25 O9 N1	388.16022	388.16068	-0.16420448	388.16016	492265	461685	451802	494531	476691	460432	319822	721917	787616	715039	379444	295786	1032846	246587	606616	562768	450487	1118197	960345	1155270	1216117	551128	726051	650826	436025	705141	230869	398155	700795	616262	428437	454182	691156	392679	1077629	633025	542043	435734	344155	627956	434728	527457	19879	2465	1862	656334	513116	2219	420886	574759	427013	437746	470204	3223	1514323	628264	302842	469711	657332	346282	690970	582662	829308	847941	289478	579084	452453	293618	881932	964768	654206	442658	465919	674499	420211	430739	981	424043	481446	411542	445711	394877	320423	312904	705629	473382	389618	313625	385125	293292	360771	443972	664051	361646	535353	5610	465365	714934	490015	432596	533157	693901	336389	739140	510601	379580	573614	2199	270018	836843	Lipid	0.5294118	1.4705882	0.05882353
4	C17 H25 O9 N1	388.16022	388.16083	-0.2066948	388.16013	10435	11874	10836	11153	7248	6660	4514	13788	11590	10361	8816	7606	17272	5571	9504	13179	12689	15690	32780	12814	14282	14222	9813	14442	4695	4195	5747	0	12772	10695	9879	11142	14975	9790	15756	13657	12457	7872	15338	11494	10607	9760	0	0	0	12263	14913	0	11521	13264	10945	10554	10309	398	16329	12513	5867	11209	13140	11668	12702	7756	34666	27702	6802	24054	8747	11787	8407	4636	5340	8208	9165	14121	3893	9938	0	10070	7838	4119	7206	6217	5845	3472	15348	8785	6825	7245	9984	17084	10902	11129	28622	6336	7430	0	9607	14988	8979	14035	14906	13495	7553	17714	7862	10777	10925	0	3969	39242	Lipid	0.5294118	1.4705882	0.05882353
12	C16 H25 O8 N3	388.17145	388.17188	-0.0990801	388.17142	2579	0	3242	0	1668	1670	4614	2682	0	2664	0	2209	1596	0	5635	3445	2988	2828	3154	0	1672	4858	4494	5640	2719	0	2322	21058	5937	0	4834	4078	5052	4258	3218	2690	2963	2353	0	0	0	1490	0	0	0	0	0	0	3447	3927	0	2063	1000	0	2208	0	1706	8065	4814	0	0	1783	1918	1937	0	1786	1916	0	0	0	1374	4394	3129	3838	2508	3841	0	2832	0	0	2403	0	2155	0	949	1270	2916	2426	2245	6867	14685	12045	11078	0	0	0	0	0	0	0	966	3085	3130	0	0	4385	874	0	2601	2456	Peptide	0.5	1.5625	0.1875
10	C16 H25 O8 N3	388.17145	388.17197	-0.08656703	388.17142	7321	6486	4391	3298	3336	2964	3347	6992	3144	2686	1935	4180	5129	1560	8554	7908	6881	4638	5891	1857	2392	8355	7370	11568	6908	0	3575	7045	5836	3622	5380	7216	7953	6246	5168	7728	10111	6177	6636	0	1857	1757	0	0	0	0	0	0	7385	5194	5916	4683	3663	0	3701	1029	3386	8466	2905	1964	9258	0	2535	2190	2133	5271	5838	8319	0	0	0	7173	4989	4863	3976	5174	0	5094	5778	6332	5464	0	1759	0	1956	2628	8120	3863	4930	10222	17210	12084	22163	3955	2305	0	3500	5524	0	1219	1567	7210	5591	0	0	10258	3291	0	4167	6181	Peptide	0.5	1.5625	0.1875
2	C16 H25 O8 N3	388.17145	388.17212	-0.1965127	388.17136	15217	12625	11482	13218	9495	18958	7191	13029	11400	4265	9460	9054	45970	7873	9930	3061	11163	15835	16515	3159	4796	12902	8908	11041	3997	0	0	34015	17540	7266	12934	11710	21370	12911	6397	11717	16687	8291	11675	2484	2674	10262	0	0	0	3847	2870	0	10750	7308	13215	13423	14849	0	13494	6728	5729	15380	4180	3985	4874	1372	16542	11981	5483	42147	13807	16715	894	1881	842	11622	10412	9367	707	8503	0	8844	8846	8321	6288	1872	3257	671	7346	7422	10322	14140	14542	21137	63830	46849	24475	7984	852	0	12976	12380	6439	8002	7983	10764	7739	5585	1910	15668	6962	0	7354	21456	Peptide	0.5	1.5625	0.1875
6	C16 H25 O8 N3	388.17145	388.17203	-0.11606571	388.1714	16337	16352	16405	17024	8021	5193	9211	16923	11504	6187	3731	11074	16336	4486	15810	19353	13177	16493	16663	5876	6603	19640	13292	20608	8988	0	9651	173456	13561	12907	14637	17131	23144	14370	10632	14656	21313	11283	17348	3295	3799	8396	0	0	0	6128	5251	0	19590	13461	16231	13119	8822	0	15859	7882	6749	22335	10401	5298	18465	2707	19965	9196	4512	14994	11925	18477	0	1976	0	14140	12848	11985	7230	11156	0	9621	9604	15020	8418	3394	4988	0	8373	7823	15232	11548	12331	25398	44454	40492	35277	8604	6960	0	14626	14980	4946	6713	6764	21092	11088	11089	0	21653	10558	0	9087	17967	Peptide	0.5	1.5625	0.1875
4	C21 H25 O6 N1	388.17548	388.1761	-0.21614282	388.17538	14801	15980	15600	14677	6886	7521	8012	20760	7514	26791	11339	12441	7928	3864	11289	17623	14451	9216	11846	31930	36592	18981	11224	17164	10496	33558	10745	11357	11363	10625	12835	11542	18078	11029	32623	14452	14520	9593	16749	23140	25206	7076	0	0	0	17186	23020	0	14410	20291	13679	13835	6104	0	12457	4826	4538	14154	3759	5660	16964	15479	8760	7667	3159	7559	7985	17158	27446	33817	40554	15317	12175	17178	13461	11472	0	13768	13637	14802	11990	8493	7199	17274	4197	4731	9947	8038	9280	17043	13035	13945	17891	15636	22979	0	13322	16428	7108	6367	4913	16122	11509	22060	11610	11298	4545	0	10625	8288	Phytochemical	0.2857143	1.1904762	0.04761905
6	C21 H25 O6 N1	388.17548	388.17603	-0.2245115	388.17538	43248	43411	36630	36794	15941	455714	25827	38487	16618	87142	44964	48840	18097	10855	22143	37545	22288	22590	28798	88731	106674	46011	24889	41167	20333	85970	25592	34528	32400	29405	28402	32996	38832	26472	99276	28356	36698	16400	28583	53691	56912	17411	0	0	0	48188	58894	0	40520	30372	40869	38204	17918	0	20803	10195	9251	37456	4897	15038	34558	33732	19851	15465	10973	18795	21185	33266	67148	117738	129831	32006	26274	27990	22846	25874	0	40410	24898	27884	19871	18447	13608	39434	15967	13354	22881	14303	17033	33127	37276	27047	42014	39288	67277	0	39367	39623	13451	10730	12762	34563	40489	37947	20548	28766	11253	0	21489	18693	Phytochemical	0.2857143	1.1904762	0.04761905
26	C21 H25 O6 N1	388.17548	388.17578	-0.1493779	388.1754	6770	5853	5354	4406	6104	4751	2368	0	4311	13365	8548	4008	8109	5086	0	8380	0	6398	5878	7508	11200	10565	6059	7907	6392	12043	0	12580	0	0	6446	5952	7576	5613	11159	5988	6737	3607	6503	10027	14218	0	0	0	0	7024	6381	0	6597	0	7181	9760	5616	0	5055	0	0	5177	0	4815	6483	6528	4249	4720	0	6692	5478	4701	17966	19320	24090	6269	5316	0	0	3801	0	3142	8125	7665	3434	4136	4245	7418	0	0	8697	5014	4379	16334	6752	5300	16071	8289	5700	0	5481	8287	2517	6222	8407	9952	3021	0	0	4727	0	0	4342	3911	Phytochemical	0.2857143	1.1904762	0.04761905
22	C21 H25 O6 N1	388.17548	388.17587	-0.16807264	388.17538	70330	62282	67172	61011	54888	40803	17155	49887	43864	126393	110849	29167	46982	31922	36090	53134	43540	54327	56764	141089	147177	83348	35797	69532	32748	194184	19657	105673	44404	39677	38536	40896	53658	51986	129239	42696	56347	29799	37696	130699	120218	41014	2465	0	490	80301	83711	0	42884	46701	62064	64669	50176	745	45399	43775	26082	47266	33821	37939	50923	93548	47196	35542	22757	57698	51319	42267	171808	191884	222861	46617	38589	30333	28063	39606	512	31699	44938	60412	37311	44602	35809	84259	49990	33161	46929	46022	42572	57411	64686	72764	84099	71672	99621	0	57176	58592	36940	47843	38076	65740	31719	54381	54607	59221	38587	0	44346	58821	Phytochemical	0.2857143	1.1904762	0.04761905
10	C21 H25 O6 N1	388.17548	388.17593	-0.21635611	388.17538	67500	53901	55521	48465	31169	28696	27600	52949	31325	175491	95861	31541	34405	24051	26657	52137	33737	38079	46741	186085	197005	83299	31818	57284	31718	171857	27684	80003	40414	44388	31721	44670	59951	38545	189252	36536	54396	23289	48461	125406	114937	25440	1266	0	0	71540	73815	0	48978	40760	56138	62741	28555	0	37103	24456	18429	55691	12042	31980	44261	68164	31219	29760	19776	32643	33364	43916	142963	264177	244996	41396	39193	43063	40901	35372	0	28896	45488	54250	32564	31914	23398	72816	29549	17874	34543	24437	27992	63881	60935	45386	73130	63766	105744	0	63014	60716	25267	21211	21062	46247	24364	51217	32172	47236	19848	0	37571	35686	Phytochemical	0.2857143	1.1904762	0.04761905
24	C21 H25 O6 N1	388.17548	388.17584	-0.15453279	388.1754	21496	24360	24619	22670	22773	14900	7991	21417	17344	53719	44242	12163	21478	11465	14615	21473	17323	21083	26523	46174	53884	34127	14400	21250	13287	57924	4355	47236	11356	24144	16405	14459	14529	17413	50958	14124	20237	11940	20972	46156	45782	14001	0	0	0	25523	24884	0	19862	37645	24422	23802	19905	0	15530	12910	9800	17154	12376	9702	20537	29041	23132	15297	7801	21803	16644	16592	66127	71231	80389	15961	14988	10552	10924	15112	0	11042	16437	25816	10035	17447	11479	28633	19809	10931	18315	15042	14984	23580	17158	25582	32332	25866	36277	0	20788	19621	10090	15425	21395	19739	9434	19723	20529	25932	12736	0	13730	21905	Phytochemical	0.2857143	1.1904762	0.04761905
16	C21 H25 O6 N1	388.17548	388.1759	-0.18744715	388.17538	105803	124833	112732	109106	67607	55442	65253	93822	59054	232964	150564	57207	58775	48225	59270	113391	109322	80474	100911	265144	283775	140774	82007	115903	65007	289895	57433	132322	81198	73115	83522	99877	115217	71999	254434	96255	102995	55486	119499	218759	228210	59540	2125	383	370	114901	132477	0	110974	88090	114133	119849	62065	417	61421	45482	43298	109348	61271	89478	103610	125986	78371	52560	37586	80117	68195	111826	271508	381257	409083	79977	72360	70582	80900	79195	298	56662	95463	116867	67657	86307	84780	141415	69125	45971	94900	58842	64113	180252	121196	118327	138984	114996	168999	738	119348	110941	55624	48127	56324	101370	53755	100539	69993	99706	55913	0	78220	74198	Phytochemical	0.2857143	1.1904762	0.04761905
12	C21 H25 O6 N1	388.17548	388.17593	-0.2457673	388.17535	60389	62475	61262	66623	35749	33854	40046	53707	40099	155207	95855	30214	30841	29185	33737	52978	53631	37876	53709	189824	214529	83877	40861	59646	41226	198510	34087	89310	54955	43399	43666	49002	64650	39870	196573	44184	53986	33780	70768	128833	133839	31442	467	0	0	87635	92454	0	54960	46433	67939	67890	34508	0	40570	21186	23789	62229	22431	54020	43878	83128	38025	28928	16488	34202	33052	60364	192348	284611	275316	40843	39304	42542	42961	49798	0	31139	43623	48583	36317	45289	30247	86674	36954	17697	43376	26459	31302	115678	73675	63305	87147	64439	88190	0	70130	71935	28277	25610	24028	56385	28817	55310	33723	53017	29571	0	40854	44619	Phytochemical	0.2857143	1.1904762	0.04761905
22	C18 H29 O6 N1 S1	388.17883	388.1792	-0.194153	388.17877	5421	6567	4290	4001	2724	6404	1558	1791	2644	2702	1663	0	6174	0	1323	3583	3016	8956	4070	5351	4794	6630	2805	5100	1956	2819	1963	2068	4476	1892	1575	0	1294	2303	3462	3931	0	1818	3099	2612	3408	5324	0	0	0	4784	4130	0	3139	0	4131	3983	6948	0	6005	4616	3172	6654	4333	3744	4512	4144	3508	2806	2638	7445	7087	6289	0	2794	1900	2890	0	1486	2727	1237	0	0	2108	4848	1899	2086	3304	2010	2148	3475	6434	3724	3184	5117	11894	20943	3555	2743	4512	0	4054	6286	4763	4297	2980	5651	2156	4659	3490	2420	4780	0	2220	3575	Organosulfur	0.33333334	1.6111112	0.055555556
16	C23 H26 O3 N1 Na1	388.18832	388.18857	0.12858763	388.18835	30804	36942	44850	44801	18255	23364	43680	45360	17259	31638	38430	36279	19755	24018	40554	76530	64644	27240	35595	30222	30735	48936	34701	78063	50613	21333	37116	28438	107892	70644	63225	57214	102441	126273	18579	67399	93373	40773	72132	53034	45063	31638	0	0	0	42681	25749	0	95319	82540	50556	41352	28550	0	20934	12699	17316	70517	22638	38868	55563	27564	19299	15396	16578	16116	27729	74661	0	29214	25134	52879	64378	62565	43077	141739	0	41169	54927	39090	39891	27258	46719	43839	19488	14121	54936	27678	33951	103020	104100	70611	0	33018	46860	0	42228	48183	13725	11964	14685	70359	52773	51549	16080	0	15249	0	52593	24603	Phytochemical	0.13043478	1.1304348	0.04347826
8	C23 H26 O3 N1 Na1	388.18832	388.18884	0.058356002	388.18832	58990	0	0	59482	22220	27328	36706	65140	17490	69290	28932	45365	11450	10920	0	70376	60612	25890	42536	0	84378	0	43604	83228	51760	33308	41056	39878	53740	51042	47212	69584	71101	61802	74580	56008	80140	47816	66798	0	79794	27260	0	0	0	66448	72466	0	77556	56636	52872	62756	25902	0	18438	5804	19408	61834	16432	39900	86174	43946	11076	15144	14904	21920	40044	78684	36022	73488	70288	57344	49600	44542	66601	19716	0	52365	0	57444	0	26232	34066	59902	10930	11576	0	0	35350	115419	99296	66308	126890	0	83276	0	54166	53746	10846	9798	0	78216	43525	89424	27334	75138	11416	0	0	17102	Phytochemical	0.13043478	1.1304348	0.04347826
12	C23 H26 O3 N1 Na1	388.18832	388.18887	-0.13385005	388.18826	40088	34564	39796	0	16260	0	49134	45330	19410	0	32528	30568	8590	11188	36492	0	77482	14410	27860	62978	66832	63966	47270	55910	48262	36716	30418	24576	73670	44504	38896	37696	0	17812	59190	61638	0	39826	0	0	83766	26852	0	0	0	60546	64534	0	0	46156	0	34142	26996	0	15678	8182	14062	49058	34492	50732	39540	36142	8086	18166	13148	18188	0	90984	0	68116	73208	14295	57163	53574	46280	41682	0	41562	49046	43062	42908	36110	48268	0	10832	12312	0	27530	0	105270	86183	82014	104124	41900	54474	0	51146	35192	11686	6286	7646	0	31452	50214	0	0	16900	0	0	15048	Phytochemical	0.13043478	1.1304348	0.04347826
4	C23 H26 O3 N1 Na1	388.18832	388.18912	0.18241231	388.1884	0	0	0	0	0	0	16192	6770	0	0	0	36533	0	0	30735	0	0	0	0	0	0	0	0	0	5164	0	15068	0	0	7452	7654	0	0	0	0	6514	0	26491	0	0	0	9096	0	0	0	0	0	0	0	10098	0	0	0	0	0	0	3907	0	0	0	0	0	0	0	0	0	18461	0	0	0	0	0	0	5010	72364	14316	0	26634	0	0	0	0	0	0	0	2709	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25309	0	0	0	0	0	0	0	Phytochemical	0.13043478	1.1304348	0.04347826
14	C23 H26 O3 N1 Na1	388.18832	388.18863	0.07034882	388.18835	14754	20619	20100	20655	6908	8322	18924	28546	5963	12171	8151	16669	3847	2848	20209	24613	32085	10394	13219	18888	24502	26967	20669	32361	23087	13388	17453	0	70531	43782	29947	39825	27215	26743	16136	46952	32769	17600	33497	26233	19712	13014	0	0	0	14980	21276	0	48216	19222	20304	15667	14936	0	9209	4883	6709	31512	11657	21502	23345	15699	5268	4681	7641	7258	14000	36681	0	22475	15857	16656	47075	54003	24228	87274	0	31259	23114	18473	18641	16074	17822	19032	3633	7430	21663	15598	11974	55194	31047	28143	47212	17092	22496	0	20651	16237	7023	5359	3358	25427	13517	30638	0	24385	5812	0	24317	3883	Phytochemical	0.13043478	1.1304348	0.04347826
10	C18 H29 O8 N1	388.1966	388.19708	-0.19594133	388.1965	53923	54970	57284	49928	32872	31870	51415	96500	41976	46366	25867	51049	59984	21375	68240	85334	70554	54794	69133	70230	68859	67158	73547	100106	63371	40354	43311	22683	93881	92295	62672	67692	80577	53844	56030	80784	67668	49575	57893	43430	40592	42513	1812	0	0	66556	57123	0	73321	82182	55762	61587	37616	560	70392	49627	30548	78091	59135	51877	83960	32444	40713	46489	22221	41608	32392	60621	40788	48892	45374	64488	57375	77048	54212	69440	0	55016	63360	28936	58367	43211	53427	27509	56249	41963	56699	30792	38085	49671	41567	54226	93902	28382	49175	857	63947	74380	30372	44087	66594	79525	47708	87898	28228	52883	49284	0	49596	48980	Lipid	0.44444445	1.6111112	0.055555556
22	C18 H29 O8 N1	388.1966	388.19696	-0.20890477	388.1965	49127	47896	46113	46216	46728	43028	24417	59629	50990	63605	26137	31767	64148	20333	47496	46406	30456	70264	70445	59143	61871	44769	47287	62751	37563	39105	21107	17027	54142	41785	45326	47556	56933	48741	57980	56334	63066	37688	29965	50557	35700	31247	2425	0	781	38571	37443	0	50897	48759	50558	41190	37575	753	102171	48511	27622	47353	36632	24795	51695	33294	72624	65393	25617	60002	34380	31047	21626	59611	39857	51238	41706	52691	37581	47158	727	35323	50139	25209	34540	27993	34071	34352	48543	31267	45487	29449	35401	29074	39639	52403	48218	38059	56786	0	41433	53160	31828	43656	42125	57731	28848	53669	30755	45315	42717	0	30314	80630	Lipid	0.44444445	1.6111112	0.055555556
8	C17 H29 O7 N3	388.20782	388.20837	-0.09979268	388.2078	6549	7425	6559	9091	3212	3316	5662	8297	1686	1506	4597	3403	3124	5277	9947	17649	2456	4113	4601	5682	2872	4142	7386	11424	14568	0	6773	7224	9513	4842	6435	9722	9007	6297	3861	7686	9721	8705	2745	0	790	2815	0	0	0	2153	0	0	13447	3391	3853	6166	3923	0	2605	838	1850	18099	1357	0	12658	0	2283	1867	0	3359	1868	2811	0	0	0	6828	4042	5233	2710	6396	0	3492	6745	8323	5995	6540	1819	0	2038	0	7932	2093	4709	6525	53445	26882	10650	2890	2124	0	5392	5503	1151	1744	0	5314	4095	2482	0	10029	0	0	9267	3737	Peptide	0.4117647	1.7058823	0.1764706
2	C17 H29 O7 N3	388.20782	388.20847	-0.23379478	388.20773	9649	7047	7429	5750	4643	0	4607	8245	4556	1808	1844	3245	8602	3448	7052	2994	5170	5844	4963	1734	1977	6936	5750	56626	5085	0	1700	4787	7678	5296	7885	8799	10775	6020	2955	6906	8786	5168	6245	1143	0	0	0	0	0	8704	759	0	7755	4482	8825	5835	5111	0	6570	2726	2244	13303	1951	881	5707	651	6075	4647	0	8756	4329	7583	0	758	750	5951	6760	5964	1553	5564	0	4034	4562	8377	3432	0	1189	342	5107	4189	7751	4244	4811	12618	36957	40428	18142	2195	783	0	9779	8458	3516	5549	5387	6642	3341	3520	919	9374	4604	0	4813	19393	Peptide	0.4117647	1.7058823	0.1764706
4	C17 H29 O7 N3	388.20782	388.20844	-0.18230492	388.20776	4947	5476	4388	5347	4531	5629	2378	4886	5226	1577	0	2399	7555	2659	6071	5742	4284	6308	5626	1369	1381	4709	3424	6701	5369	200	2117	0	4340	3136	5082	5524	7723	3965	2953	5814	7038	4174	5917	0	882	2463	0	0	0	2151	0	0	6020	4018	3960	4038	4005	0	6267	1823	1889	7373	1549	1423	7616	0	5686	3829	1133	4970	2161	3938	0	0	0	3918	4122	4328	1623	2747	0	3581	3807	4390	3389	777	1053	424	3722	3302	5796	2031	2809	8729	31028	23125	12113	2091	0	0	4846	6002	3343	3443	1749	4875	2771	3338	0	5732	8305	0	3680	7198	Peptide	0.4117647	1.7058823	0.1764706
10	C17 H29 O7 N3	388.20782	388.20834	0.012695723	388.20782	3987	3307	2684	1353	2344	1555	2916	5742	0	0	1380	2478	2232	8253	3491	4330	3283	1891	1880	0	0	2514	1884	4207	4719	0	3576	5013	3233	2974	1475	4369	4601	2968	1482	4478	4619	2686	3390	0	0	1111	0	0	0	0	0	0	3412	1653	2402	0	974	0	2997	793	717	6246	0	0	0	0	1007	1494	950	2427	1569	3059	0	0	0	3170	2396	3602	0	4363	0	3369	2857	5497	0	1780	0	0	1857	1512	2141	1617	1702	0	35083	12765	8746	0	0	0	4444	3281	2749	0	981	3052	2324	0	0	2888	1769	0	2965	2412	Peptide	0.4117647	1.7058823	0.1764706
6	C17 H29 O7 N3	388.20782	388.20837	-0.15996395	388.20776	15196	12868	14496	13136	7770	7300	9948	18286	6534	3306	1580	7396	7930	1776	16184	46078	4960	9886	11612	7824	4172	15068	14078	31904	24356	0	8594	10434	25028	10868	17630	17894	25194	19972	8518	18256	23742	14220	9500	2940	0	7016	0	0	0	7890	0	0	22264	12292	13922	16486	6782	0	7610	3946	3958	47884	4758	0	31610	0	8004	4574	2942	9318	8360	9876	0	0	0	15704	13874	17030	4956	14620	0	8898	12512	29956	6160	1884	5444	0	5178	5884	11906	5292	11816	17484	123437	88739	27340	3582	0	0	12656	13408	3046	4662	5992	17778	9018	6872	0	24229	4754	0	11518	9682	Peptide	0.4117647	1.7058823	0.1764706
12	C22 H29 O5 N1	388.21185	388.2123	-0.21487616	388.21176	24532	26933	29853	24259	9319	13916	18695	26965	9214	61606	45656	15288	5891	7750	14623	33711	31554	8872	20504	80383	79030	25534	13113	29788	21702	71043	25177	36137	30000	26763	24098	25345	36374	24865	68584	28144	31498	16778	32720	41309	32561	10853	0	0	0	23061	27764	0	31061	26101	26034	23412	12913	0	9335	7295	6249	31813	5666	7918	18809	14680	7162	8688	4993	16030	15859	44265	43762	99849	92874	25999	23826	23370	24806	21232	0	18497	19309	0	19729	4938	4437	31431	8373	8022	22645	12820	13377	51686	41353	12428	42043	26969	41964	0	28724	28950	5383	9443	8844	40483	14248	20387	0	28710	8145	0	19872	11866	Phytochemical	0.22727273	1.3181819	0.045454547
24	C22 H29 O5 N1	388.21185	388.2122	-0.1886403	388.21176	57438	62554	59847	60915	55795	44762	22463	52071	38687	78574	88854	34680	47108	31186	34332	60024	56971	44800	55831	105713	111433	67549	38487	70371	39876	143868	25534	84318	42645	51626	43325	51708	59851	54252	88975	55476	69909	30321	53573	92714	102018	35506	0	0	0	60127	69282	0	61318	46972	54883	57553	43401	0	39508	34261	26393	68308	37790	51769	64431	58804	32345	31303	17492	55535	46007	61913	129781	120168	155289	55465	53115	40383	37240	43051	0	35975	48361	55559	35982	42605	44845	67489	42832	24309	52873	39407	41011	93993	67834	69492	73609	62466	72512	0	61489	60533	35678	33648	38453	66368	33518	72068	36994	65071	37142	0	44947	36509	Phytochemical	0.22727273	1.3181819	0.045454547
18	C22 H29 O5 N1	388.21185	388.21222	-0.2442412	388.21176	63317	62455	61015	56433	33674	25366	35367	62691	22686	69075	67366	34576	28507	29033	38726	68437	84264	30799	51613	112350	112274	62310	42390	73184	37479	149035	41091	67882	55572	51677	47512	49577	57176	64853	75418	58397	61361	33920	88699	79067	104226	36021	717	0	0	46239	64164	0	59305	50463	66044	57985	31755	0	25460	19561	23884	63351	25973	62124	61461	51197	23807	20872	17160	33018	35932	95268	95148	135513	168873	53954	39959	47340	62157	61716	0	28459	59751	50506	39016	33819	41606	57168	25719	26894	64984	41298	38261	106551	74310	66208	92491	50592	79407	0	64704	60724	20772	24917	24530	71362	34437	58822	24416	62805	23661	0	53176	24972	Phytochemical	0.22727273	1.3181819	0.045454547
4	C22 H29 O5 N1	388.21185	388.2125	-0.2288756	388.21176	9021	11339	12016	11656	960	2346	9333	23828	706	11935	6366	12056	552	789	13167	18500	18430	2271	4154	14762	16256	10537	11511	21971	12536	7534	10994	5464	15632	14801	16387	17553	15307	14526	14136	16522	13690	8984	20498	10570	10164	4872	0	0	0	10727	9608	0	18098	22191	10755	8535	2921	0	2270	784	2432	14024	0	1337	14537	6902	1264	1364	1878	2250	3460	15894	5815	7476	8084	16692	15801	21894	20610	14968	0	9584	10270	8158	10868	1784	3969	10150	810	2815	6825	3832	5106	17615	9046	3547	21104	7419	16288	0	10381	13295	0	0	828	16172	9410	20145	5662	14057	649	0	11521	648	Phytochemical	0.22727273	1.3181819	0.045454547
26	C22 H29 O5 N1	388.21185	388.21228	-0.14154598	388.2118	17356	15808	15606	13767	15779	7763	4752	16333	13261	13575	25430	9457	10910	8435	13595	18899	20651	10429	14927	22371	30467	15733	9551	20362	9910	34294	7424	29737	14229	13547	17610	16002	17691	17342	18148	17276	16175	8744	21670	25652	35187	10568	0	0	0	15369	23485	0	16945	14072	14827	13968	14055	0	11677	9176	6856	19383	9318	19684	19209	21069	7261	9717	5686	11915	14184	25549	40030	29323	37392	12687	16305	13346	11493	13062	0	8361	25528	15105	9753	12396	13997	20104	9605	10242	42453	10836	10066	38367	18595	23833	24795	19565	14563	0	11885	16304	8797	14072	12533	19465	7942	18729	12560	17502	12558	0	15305	8368	Phytochemical	0.22727273	1.3181819	0.045454547
14	C22 H29 O5 N1	388.21185	388.21228	-0.2591157	388.21176	25766	29755	26213	30663	12559	12705	18796	28440	9496	48142	35232	15535	9499	10654	18591	32922	28165	10234	19089	70167	69592	22629	15093	25671	23002	74707	19968	29432	20635	22837	19993	27176	28988	21114	55791	30800	23807	15598	40491	43586	39943	13123	0	0	0	19406	29460	0	30203	21815	22381	27855	12607	0	7876	4986	7292	30235	0	13724	24945	22823	7461	9116	7560	8420	13291	37293	53367	89771	73814	20280	22014	21790	22201	23453	0	16002	15562	20859	16650	8517	11172	26421	5589	4755	23798	15706	17559	62204	42751	23871	46148	27452	37381	0	26631	29292	9064	9371	9762	32918	16695	20398	0	26215	6217	0	18534	7300	Phytochemical	0.22727273	1.3181819	0.045454547
10	C22 H29 O5 N1	388.21185	388.21234	-0.18088394	388.2118	56626	52173	48016	50122	11241	14639	30286	43017	9608	71542	47264	32047	8385	10612	23776	48932	40041	15238	23830	100818	100917	37982	28345	53117	26964	74854	37554	35336	44651	46631	38640	55852	84211	40600	87209	46249	70616	24015	51799	52618	30245	17156	0	0	0	27585	30241	0	60876	39776	50279	51610	12508	0	10721	5287	10846	97897	0	8029	64993	21738	6276	8533	8303	16231	20762	73814	59018	112710	91676	48376	48560	52258	55702	46406	0	31412	37234	27342	32861	5595	4207	34526	7105	7994	40388	20132	23101	378201	48869	11455	66387	34698	58593	0	48781	42177	8689	4564	6601	67980	27300	39627	0	59417	5757	0	25559	10158	Phytochemical	0.22727273	1.3181819	0.045454547
26	C15 H33 O10 N1	388.2177	388.21777	-0.551656	388.2175	10928	11330	13646	12607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14212	13329	0	0	0	27999	102725	0	0	0	0	0	0	0	400940	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	130211	410106	0	0	0	0	0	0	0	0	0	0	12796	14582	44027	39723	731818	0	0	0	0	0	330445	0	0	0	Unclassified	0.6666667	2.2	0.06666667
10	C15 H33 O10 N1	388.2177	388.21835	-0.11395614	388.21768	3128	6038	3502	3983	970	2279	1052	0	0	10962	22123	0	0	0	1084	0	1558	0	0	3745	0	1637	0	2406	1234	1833	8452	35089	0	920	0	0	0	0	0	1691	0	0	0	5796	6848	2663	8522	1260	3060	13089	28270	2017	0	0	4054	3173	1257	3538	1993	0	1718	1764	17505	3872	20722	16304	3582	0	2777	3136	2731	0	28802	8812	25497	0	1058	1461	0	0	3722	0	0	63680	0	1897	0	0	1946	1083	0	0	0	0	12807	5023	2614	8265	11486	1590	4945	9326	0	784	1843	0	0	12147	582446	1372	1420	1895	1062	1414	Unclassified	0.6666667	2.2	0.06666667
8	C15 H33 O10 N1	388.2177	388.2185	-0.1527267	388.21765	4490	2943	1376	1622	0	2664	3877	2557	0	4036	5915	3200	0	0	1750	2883	2240	0	1090	0	0	0	1034	1284	698	0	11842	5214	1166	1817	2054	1875	0	1164	998	1291	1832	3807	2697	4457	3549	0	921	0	676	5669	18636	0	2327	2129	2101	3584	789	755	0	0	2381	2983	8275	1546	0	6063	955	661	0	1797	2032	1730	4674	0	14499	1607	1390	880	1645	1188	565	1444	5568	0	5997	950	0	0	0	0	2618	0	1233	2749	0	0	1600	3810	1919	0	2854	4586	984	0	0	0	2188	0	199875	1336	0	344	3134	923	Unclassified	0.6666667	2.2	0.06666667
2	C16 H29 O6 N5	388.21906	388.21964	-0.11292109	388.21902	2956	2755	2679	1969	0	0	0	0	0	0	4029	842	0	326	1259	0	7728	564	0	0	0	0	309	1150	372	0	0	130518	834	0	703	631	0	0	0	0	0	1732	12201	0	0	0	0	0	0	0	0	0	886	0	1484	1741	1053	0	0	437	0	907	0	0	0	0	0	0	0	956	0	3874	0	0	0	0	0	0	0	0	0	966	401	206715	0	0	0	0	0	712	1480	672	432	1918	39686	30372	0	10796	0	0	1617	2046	1814	0	245	617	2050	0	0	716	0	0	715	0	Peptide	0.375	1.8125	0.3125
0	C16 H29 O6 N5	388.21906	388.21933	-0.221771	388.21896	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48179	0	0	0	0	1472	0	0	0	0	0	1459	0	0	0	0	0	0	0	0	0	0	0	0	0	1215	0	0	0	0	0	0	0	0	0	0	0	1889	1095	0	0	0	0	0	0	0	0	0	0	0	0	0	23575	0	0	0	0	0	0	0	0	0	0	7039	5482	0	2098	0	0	0	0	794	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.8125	0.3125
16	C19 H33 O7 N1	388.23297	388.23337	-0.2855261	388.23288	16846	23141	20748	19850	10948	13136	44861	22451	9754	6494	4333	20367	23565	13861	24812	32358	33791	14973	33134	12313	8872	8071	22158	24021	16679	10956	34979	10913	30394	27301	20475	27214	28245	19364	6980	35473	25487	17037	32949	6458	5975	16048	2154	0	0	9421	13040	0	26993	25099	17027	15285	13840	320	18106	18173	11416	24529	7771	11137	30866	4340	16215	14147	16672	21015	18718	31173	0	6479	6328	21429	26105	30631	33311	23433	0	18287	16697	9647	14257	8303	78398	50615	23834	19830	23761	11197	14719	0	20220	17588	0	6501	8852	645	18656	31018	9164	25258	36945	34449	15455	23925	8724	19938	19127	0	20648	10523	Lipid	0.36842105	1.7368422	0.05263158
24	C19 H33 O7 N1	388.23297	388.2333	-0.23715697	388.23288	9969	10319	9617	10261	12153	8380	8918	7747	13802	12399	3137	5599	17002	10261	11151	10940	3424	17892	24017	13010	7995	7845	8026	10082	8484	2141	9795	13731	13863	7219	9791	10652	16886	11396	20297	11883	19829	6875	5322	6787	3437	9153	0	0	0	5488	2923	0	9218	5868	12980	12314	11304	0	23731	12567	5489	12386	9897	1435	9408	4386	15108	11752	7571	19982	14955	6894	2438	4833	0	12122	8439	11475	4724	11115	0	7329	5225	11956	4363	5214	11982	5079	7796	8996	8075	6832	12504	4467	38033	36876	14656	5755	8953	0	12963	13903	9418	8804	10150	17601	5724	13071	16915	8789	5896	0	7100	20729	Lipid	0.36842105	1.7368422	0.05263158
20	C19 H33 O7 N1	388.23297	388.23334	-0.26779196	388.23288	52096	39930	52368	44704	50452	43624	135006	55804	44966	24934	17472	30379	76498	42257	60750	64050	40095	74862	89150	30838	28336	26273	38503	56709	42423	23934	90562	24439	75946	61138	42367	54661	76119	49315	35499	70697	70859	37721	41256	18025	9582	41032	15184	650	0	31283	20110	657	55971	44525	51634	47936	44346	1466	88115	54704	28734	49768	27611	17770	55787	9728	54501	41830	41348	77353	59931	39745	4684	14734	12010	44832	49775	63325	51582	55711	0	34970	35797	35058	26104	20851	141405	78513	53829	37343	48961	40649	46155	37871	76547	62426	62270	16296	23119	0	49992	60714	31484	43147	55178	83059	32633	48155	32721	44636	41023	0	36246	73230	Lipid	0.36842105	1.7368422	0.05263158
18	C19 H33 O7 N1	388.23297	388.23334	-0.2656364	388.23288	35063	38041	35431	34562	30242	31979	110719	46560	22262	10537	11808	25890	41920	24420	32244	47022	43344	40396	48522	16498	16184	18386	34264	42802	26692	22437	82392	20051	54740	42882	31276	46475	57645	34911	15956	54532	45908	31511	41515	8914	11024	30415	3679	0	0	15073	13394	0	50355	41977	35921	35130	28934	850	43236	32557	22400	46962	22052	17242	52201	6557	36511	29644	31247	48452	37698	39902	6564	10528	7498	32280	41532	51252	42818	43986	0	21436	30385	20964	25050	16429	154552	71239	32062	36150	39757	30308	35932	27446	49386	41062	42635	10773	18843	970	39551	44459	22679	33329	49309	67082	20853	31896	17516	34385	26332	0	29036	33520	Lipid	0.36842105	1.7368422	0.05263158
6	C18 H33 O6 N3	388.2442	388.2447	-0.20076609	388.24414	10337	9940	9961	9344	552	18152	0	1480	499	0	4406	478	1658	780	883	5057	0	1138	0	0	0	2674	0	2806	1885	0	0	166680	1894	1020	2141	1173	4837	3134	0	0	2692	739	0	0	0	1346	0	0	0	0	0	0	3219	850	12231	8573	0	0	699	0	0	5182	0	0	3726	0	0	0	710	1207	0	0	0	0	0	2263	1319	801	803	985	0	761	0	469606	0	0	0	0	591	0	1651	564	1059	1572	1156101	665497	5278	38258	5170	0	13395	10500	0	0	472	927	885	0	0	2920	0	0	767	1312	Peptide	0.33333334	1.8333334	0.16666667
4	C18 H33 O6 N3	388.2442	388.24487	-0.067562126	388.24417	2945	3652	2375	2867	8875	18407	769	3259	26315	0	0	253	2628	1514	1307	10520	0	2914	18575	0	0	5436	1189	12320	3962	0	1107	0	5034	668	1308	2000	2557	1512	0	1080	1111	1615	0	0	0	1316	0	0	0	2077	0	0	1994	1251	2654	3327	6220	0	31379	845	7235	10431	0	0	10342	0	1073	4754	5791	6976	6754	0	0	0	0	1749	2171	1450	0	1512	0	457	822	0	0	0	0	0	10209	15824	3607	1428	3532	0	10766	5124	11323	0	0	0	2985	3098	15381	681	3111	1800	0	0	0	5277	2284	0	1385	3863	Peptide	0.33333334	1.8333334	0.16666667
12	C18 H33 O6 N3	388.2442	388.24463	-0.0608679	388.2442	42418	38091	49307	40984	0	6988	0	0	0	10377	15786	0	0	964	0	0	0	0	0	0	0	0	0	0	1175	0	0	157420	0	0	1816	0	2427	1975	0	0	2301	0	0	0	0	2466	0	0	0	0	0	0	0	0	45323	36698	0	0	0	0	0	0	0	0	0	0	1612	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56082	0	0	0	0	0	0	0	0	0	0	3540460	3709342	0	42771	6980	0	42727	40389	0	0	0	0	1156	0	24888	1876	0	0	0	0	Peptide	0.33333334	1.8333334	0.16666667
8	C18 H33 O6 N3	388.2442	388.2447	-0.1447663	388.24417	65355	66553	59534	69839	1158	62602	0	4276	0	6727	22041	0	1991	1098	2536	6706	0	1579	1239	0	0	4898	1269	4258	4824	0	840	403207	3608	1763	3947	2342	14836	1960	0	2946	8184	1394	0	0	0	6604	0	0	0	0	0	0	3408	1669	61375	61865	1807	0	0	0	0	6836	0	0	0	0	1445	0	0	1516	858	0	0	1764	0	2880	3151	1244	0	829	0	1963	1107	415804	0	0	0	0	0	0	1364	2138	1891	7441	5308836	4225032	13610	117069	15554	0	67020	60097	1703	0	0	3164	2175	0	0	3621	0	0	1021	0	Peptide	0.33333334	1.8333334	0.16666667
10	C18 H33 O6 N3	388.2442	388.2446	0.008575279	388.2442	48507	39175	47126	46642	0	27616	1071	2471	0	9772	14763	1249	0	1199	2641	5228	0	0	0	0	0	5458	2163	3059	4475	0	0	361521	2272	0	2122	2471	6638	1362	0	0	3699	1354	0	0	0	6181	0	0	0	0	0	0	2304	0	47629	49872	0	0	0	0	634	6295	0	0	0	0	0	0	714	0	0	0	0	0	0	2062	0	0	0	889	0	733	1283	330203	0	0	0	0	0	1135	1728	1521	1806	6657	3837319	3249429	15673	53579	10982	0	44067	42668	0	0	0	0	2109	0	0	6851	762	0	1570	0	Peptide	0.33333334	1.8333334	0.16666667
20	C23 H33 O4 N1	388.24823	388.24863	-0.19019823	388.24817	7557	8495	8039	4327	0	1553	3353	6761	2204	4833	7079	2938	0	2108	4082	14798	19670	2911	3529	6733	8254	9071	5053	4610	10409	17622	6894	6152	9155	10427	4862	8871	9379	7157	8507	6979	7201	3994	18695	2272	13589	3666	0	0	0	2697	8468	0	6386	4297	7862	8808	3781	0	2517	2505	2941	11347	1893	9388	9874	3029	0	0	1289	4808	3035	23498	9344	10122	18716	3127	7969	8703	13770	6978	0	3233	7628	6935	4401	1761	3800	0	1659	3166	10990	5147	4479	58278	17751	15606	26259	4947	11590	0	8149	8860	1676	1281	1841	10197	4439	3532	2936	16170	2463	0	8958	0	Lipid	0.17391305	1.4347826	0.04347826
10	C23 H33 O4 N1	388.24823	388.24872	-0.17439833	388.24817	18605	13532	16832	13570	0	90450	9960	43304	0	16655	9933	17120	0	0	20241	34558	15824	0	3319	29333	17577	3298	12081	30215	30409	10393	13749	6133	46451	37210	34475	33063	36899	32896	17479	47063	46020	13798	16295	14306	0	15439	0	0	0	38336	5890	0	34020	28249	14845	13955	3162	0	0	0	14021	31083	0	0	31139	3032	0	1165	3790	0	7133	30759	9765	10768	8049	34628	31909	52569	24330	31755	0	24085	10248	5860	7553	0	0	7848	0	1794	8041	8289	8008	46887	0	0	66347	5884	22124	0	14993	19416	0	0	0	28800	18008	17669	0	64255	0	0	10318	0	Lipid	0.17391305	1.4347826	0.04347826
22	C23 H33 O4 N1	388.24823	388.2486	-0.25769657	388.24814	19882	15588	13265	18561	11265	8325	6370	14821	8708	16222	22362	9204	4217	4654	10740	29735	28219	9069	6924	18842	15378	15789	8691	17511	17560	57241	9631	23822	17002	13258	12809	18863	20957	18540	10262	15036	12680	9482	27822	17109	28233	9676	0	0	0	10029	16028	0	19090	17724	18380	18058	9192	0	6411	3650	4856	25318	8622	20304	22036	6682	3510	5502	3099	11559	11017	40255	38203	29899	46161	13180	15277	13401	22193	18320	0	7118	15999	25297	10440	8879	12826	15669	5295	6830	19131	11271	6672	82087	30977	29119	34640	16502	23602	0	15549	17735	6856	8132	6647	23804	7880	17923	6570	30998	9260	0	21623	4173	Lipid	0.17391305	1.4347826	0.04347826
12	C23 H33 O4 N1	388.24823	388.2487	-0.20375532	388.24817	22683	18665	21902	20479	0	48658	23506	46743	0	11143	10676	20543	0	953	22752	37520	21798	1232	2757	26472	18196	8608	11887	31504	26137	11980	21521	11057	64177	130369	91805	56469	38125	48227	20019	113716	39318	19484	12571	19832	0	13479	0	0	0	12742	7478	0	44554	40449	21786	20864	2861	0	0	0	3655	26054	0	0	20319	4411	1336	0	3859	0	14373	44776	0	13259	9043	59964	150979	230178	78417	161238	0	29815	7301	0	9309	0	0	15277	0	1548	10638	6740	8588	92744	13679	0	56939	8350	19857	0	27541	22452	0	0	0	41794	24169	12719	0	52771	1797	0	12816	0	Lipid	0.17391305	1.4347826	0.04347826
8	C23 H33 O4 N1	388.24823	388.24875	-0.22105402	388.24814	17870	18089	11826	15404	0	5825	9392	37169	0	9900	5935	14755	0	0	15591	27153	21657	0	1205	15145	11224	6611	10952	29565	20201	2761	12934	6155	57523	38143	30585	64264	30796	29977	11422	50159	35190	11589	22549	11167	0	5083	0	0	0	8669	6170	0	76189	32435	15492	16322	1304	0	896	0	1771	29039	0	0	34410	3405	0	0	2074	967	4050	34616	0	3491	2773	23587	27896	47688	43489	33149	0	16445	8299	11859	7441	0	0	5728	0	0	8044	3877	5652	43472	0	0	49852	7299	20722	0	15494	16762	0	0	0	33740	11286	12618	0	73893	0	0	12985	0	Lipid	0.17391305	1.4347826	0.04347826
26	C23 H33 O4 N1	388.24823	388.24866	-0.1590707	388.24817	19610	17313	17647	18729	20918	12184	9543	24580	14066	11940	27089	8184	13540	8233	11224	22890	15966	9921	18950	19396	22487	36299	9281	22849	26645	45584	8984	29640	19080	18258	16931	16408	19291	17244	15252	18671	18064	17352	12400	23722	30817	10747	0	0	0	18088	17244	0	18322	17205	20620	13314	17683	0	17127	11166	10887	30835	16013	11366	24485	17057	9814	16268	8768	15987	17473	22951	50387	27354	36704	16463	17239	17115	9505	17872	0	10852	23879	31817	13719	15541	19320	21153	20902	12087	38927	13747	10104	54261	41127	43843	51571	33432	31939	0	18584	21048	14187	21038	21373	26161	8634	24042	8624	21672	18393	0	23066	18635	Lipid	0.17391305	1.4347826	0.04347826
24	C23 H33 O4 N1	388.24823	388.2486	-0.21065551	388.24814	28887	34108	25179	29739	20468	16965	16656	23869	12132	27617	34032	17723	11120	13741	16102	45467	37821	17010	25821	39736	40919	27648	14515	31082	28759	69623	11191	31876	30073	25334	18166	31335	32780	25021	29446	30266	35481	12207	35727	35606	48574	20424	0	0	0	22654	25794	0	29933	25039	27219	26587	17643	0	15170	14203	12368	34524	18860	26519	35579	19629	12675	13787	5295	15468	18545	38123	54963	44267	63482	22429	24385	27581	25254	26369	0	14825	20748	29338	13156	16427	21618	28999	14850	11401	30201	20212	18130	85367	38900	43565	57981	28505	27430	0	28503	29260	15693	9866	19057	37331	13461	35737	16640	35801	14863	0	25606	10242	Lipid	0.17391305	1.4347826	0.04347826
14	C23 H33 O4 N1	388.24823	388.24863	-0.20520738	388.24817	16628	20079	15831	18916	1703	20157	9009	26304	0	12669	8134	7211	0	1499	8564	18463	7060	0	1834	15133	14063	15288	8482	21202	16114	11137	24069	7571	14782	22791	17449	20435	22959	18417	6605	18671	15776	8657	6973	10688	0	6846	0	0	0	2249	5536	0	15655	18595	18596	17282	1953	0	0	0	2265	19542	0	0	0	0	0	1288	1119	0	5556	18053	0	17086	12090	18660	22112	23556	16764	24754	0	10978	4800	0	5702	0	0	7554	0	0	6149	7690	4506	576865	19744	0	482832	2980	11794	0	22552	16721	2252	0	0	18261	8524	2524	21990	54911	1256	0	9019	0	Lipid	0.17391305	1.4347826	0.04347826
18	C23 H33 O4 N1	388.24823	388.2486	-0.1590876	388.24817	4600	5672	3261	2763	1967	0	2726	2332	0	0	2123	1886	0	0	2826	8368	6762	0	0	5136	7501	1946	2432	2027	4011	6034	5033	7261	3982	2975	4905	2751	3611	4545	5957	4790	4368	1734	10881	4832	3145	1868	0	0	0	0	2958	0	5017	3577	7512	5665	1276	0	2089	0	0	9898	0	4274	4557	956	0	0	1617	0	1485	14938	5296	3807	5185	4514	3973	4050	5451	0	0	1945	3288	4591	2762	0	0	5577	0	0	4609	2225	1266	74874	9887	5365	38353	0	4126	0	3807	4423	0	0	1319	7598	2862	2095	0	9539	0	0	5892	0	Lipid	0.17391305	1.4347826	0.04347826
10	C19 H34 N5 S1 Na1	388.25055	388.25095	-0.39261833	388.2504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	123095	0	0	0	0	0	4378	0	0	5358	0	0	0	0	0	0	0	0	0	1494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.7894737	0.2631579
10	C20 H37 O4 N1 S1	388.25162	388.2522	-0.36938605	388.25146	0	0	3792	36769	0	0	69025	0	0	0	0	0	5815	0	0	3598	0	0	0	0	0	0	0	0	0	1408	0	0	0	9064	0	0	0	0	0	0	0	6981	0	0	0	9290	5155	0	0	0	0	0	0	0	0	0	0	0	0	0	13301	0	0	0	102515	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9198	0	0	0	0	0	0	11834	0	0	13406	0	0	0	25022	0	0	825138	7227	0	0	0	0	Organosulfur	0.2	1.85	0.05
0	C17 H33 O5 N5	388.25543	388.25546	-0.2858286	388.25534	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12947	0	0	0	0	1118	0	0	0	0	0	614	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31897	0	0	0	0	0	0	0	0	0	0	31963	5338	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29411766	1.9411764	0.29411766
10	C20 H34 O3 N3 Na1	388.25705	388.25784	0.2618588	388.25717	0	0	0	0	0	0	68302	0	0	0	0	0	19248	0	0	32686	28982	0	0	0	0	0	0	0	0	0	0	0	24266	42102	0	0	0	20102	0	0	0	13062	0	0	159736	0	47836	0	0	317704	0	5460	0	16246	0	0	0	0	0	0	0	0	0	0	155106	0	0	0	0	0	0	0	0	0	0	0	0	21452	0	0	0	0	0	0	0	0	3348	0	0	0	0	0	0	0	0	0	0	0	145324	0	0	0	0	0	0	0	0	11522	493664	0	0	0	0	0	Peptide	0.15	1.7	0.15
14	C22 H33 O3 N3	388.25946	388.26016	-0.10928698	388.25943	0	0	0	0	0	0	0	1698	0	0	0	0	0	0	0	30622	0	0	0	0	0	0	0	72760	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15788	0	0	35379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.13636364	1.5	0.13636364
12	C22 H33 O3 N3	388.25946	388.26004	0.19823526	388.25955	0	0	0	0	0	0	0	6691	0	0	0	0	0	0	0	101342	0	0	0	0	0	0	0	35864	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1548	0	0	0	0	0	0	44411	0	0	66567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.13636364	1.5	0.13636364
10	C22 H33 O3 N3	388.25946	388.26004	-0.39531112	388.2593	0	0	0	0	0	0	0	5069	0	0	2867	0	0	0	0	18272	0	0	0	0	0	0	0	2438	0	0	0	0	0	8401	0	1967	0	0	0	0	0	0	0	2228	0	0	2676	0	0	74562	0	0	0	0	982	3625	0	0	0	868	0	0	0	0	0	0	1699	2597	0	0	0	0	0	0	0	0	0	0	1191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1793	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.13636364	1.5	0.13636364
6	C27 H33 O1 N1	388.2635	388.26392	0.024273466	388.2635	0	0	0	0	0	914	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	88102	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	673	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	72627	0	0	0	0	0	0	0	0	0	0	109940	28985	0	4043	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.037037037	1.2222222	0.037037037
20	C20 H37 O6 N1	388.26938	388.26962	-0.22438897	388.2693	0	2301	2065	0	0	0	28504	1655	0	0	0	0	0	2423	0	2228	0	0	0	0	0	0	0	1944	1756	0	20835	2794	0	0	0	0	0	1251	0	1413	0	0	1607	0	0	1360	0	0	0	0	0	0	1547	0	0	0	0	474	0	0	0	3177	0	1170	0	0	0	0	2673	1707	1408	0	0	0	0	0	2575	2211	3134	1306	0	1227	1733	3300	0	0	24989	17578	0	0	0	0	0	2121	9838	4287	0	0	0	0	0	2070	0	0	0	2185	0	0	0	3258	0	0	0	0	Lipid	0.3	1.85	0.05
24	C20 H37 O6 N1	388.26938	388.2697	-0.16273166	388.2693	7967	8400	9339	9172	6079	9472	95116	4974	1724	2998	4521	943	3483	22559	2752	14464	2060	4039	5802	2555	0	0	3025	25132	16767	3810	58483	27667	4856	4726	2833	6859	5675	4663	3196	7411	9111	3532	2130	2930	3856	4260	4151	0	0	5135	7153	0	5457	3574	9570	8399	2044	0	3878	2056	1277	15557	5577	4108	16134	1508	6487	2203	14640	15568	13033	5719	0	4852	1330	3431	3300	4258	3663	4886	0	2807	4255	29919	1979	6769	36501	30347	0	4589	8353	2985	5766	12489	143163	131588	3491	5572	7119	0	10229	12777	4302	1873	0	3817	2380	9084	13160	2710	1376	0	24114	10116	Lipid	0.3	1.85	0.05
22	C20 H37 O6 N1	388.26938	388.26968	-0.23606393	388.2693	2180	2988	1881	4679	2022	2172	94093	3079	0	0	0	0	0	11514	6014	4184	3186	0	0	0	0	0	4617	0	9519	2749	62397	5024	2283	1933	1613	0	3549	1209	0	2091	2679	3277	4885	0	2208	2275	0	0	0	0	1362	0	3494	2435	5524	5083	1224	731	0	0	1901	5269	1105	2238	5641	0	2960	0	8389	7527	7750	1437	0	0	2828	1357	1702	2820	2798	1894	0	1648	2325	12115	0	2194	49819	34164	0	1977	5390	0	0	8159	23169	16000	2300	1259	2651	0	3701	4331	0	1822	2089	5518	1700	1506	8182	2260	1219	0	13885	4919	Lipid	0.3	1.85	0.05
26	C20 H37 O6 N1	388.26938	388.26962	-0.14661771	388.26932	5958	3912	4420	4353	19720	3688	18244	0	3541	0	4961	0	7142	24801	0	0	0	0	5826	0	0	0	0	0	5253	0	12557	27703	4955	0	3497	0	5093	4105	3452	0	4243	3559	2429	0	0	6870	0	0	0	0	0	0	4342	0	5058	5274	15471	0	0	7441	6681	2824	12487	0	5199	3563	0	0	7645	9289	14168	3729	0	0	0	0	0	0	0	0	0	0	2298	18064	0	10421	7880	3686	0	10503	2857	0	3462	4143	48684	62554	0	2533	0	0	5518	6287	9309	0	0	0	0	0	33280	1320	25207	0	0	2134	Lipid	0.3	1.85	0.05
18	C20 H37 O6 N1	388.26938	388.2691	-0.480031	388.26917	0	0	0	0	0	0	1407	0	0	0	0	0	0	1294	0	1653	0	0	0	0	0	0	0	0	0	0	2762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2166	0	0	0	0	0	0	0	0	5227	3093	0	0	0	0	0	0	22460	4426	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3	1.85	0.05
10	C26 H33 N3	388.27472	388.2749	-0.08093692	388.2747	0	0	1246	2449	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5420	0	0	0	0	0	0	0	0	0	0	0	2942	1207	0	0	0	0	7758	2136	0	0	0	0	0	0	0	0	0	0	1622	0	3977	0	0	0	0	0	0	0	0	0	3391	3024	1188	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1663	0	0	0	0	2713	23426	0	0	0	0	0	Phytochemical	0.0	1.2692307	0.115384616
24	C24 H37 O3 N1	388.2846	388.2849	-0.17924033	388.28455	1657	1857	1307	0	2700	0	0	1515	0	0	0	3184	0	0	0	3761	1909	0	0	0	0	2406	0	2910	5031	0	0	0	1175	0	0	1619	0	0	0	0	0	1354	2748	0	1226	0	0	0	0	0	0	0	0	2367	0	0	1299	0	0	1375	0	5045	0	1036	3377	0	0	0	0	0	0	3883	0	0	0	0	0	0	0	1230	0	1004	1896	0	894	0	0	0	1102	0	20554	0	0	108654	7025	3985	13886	0	0	0	1890	1652	1616	0	0	0	2484	0	0	5275	2416	0	9052	0	Lipid	0.125	1.5416666	0.041666668
14	C24 H37 O3 N1	388.2846	388.28503	-0.1267038	388.28458	3589	4361	4097	4566	0	0	0	59104	0	0	1712	125436	0	0	6197	117699	0	0	0	0	0	0	0	2626	5862	0	1765	0	6009	49700	40840	0	2919	1452	0	6749	3642	11400	0	0	0	0	0	0	0	0	0	0	6429	160559	3057	2624	0	0	0	0	1404	24557	0	0	34538	0	0	0	3323	0	0	7996	0	0	0	6414	1690	38597	9661	12879	0	149935	0	0	0	0	0	0	0	0	0	0	0	29215	0	0	11673	0	0	0	3410	4567	0	0	0	2200	69845	0	0	16567	0	0	1215	0	Lipid	0.125	1.5416666	0.041666668
22	C24 H37 O3 N1	388.2846	388.28485	-0.015265156	388.2846	0	0	0	0	0	0	0	0	0	0	0	2101	0	0	0	1682	0	0	0	0	0	0	0	0	2544	0	0	0	0	3076	1318	0	0	0	0	1704	0	0	0	0	0	0	0	0	0	0	0	0	0	1172	0	0	0	0	0	0	0	3181	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2703	0	0	0	1468	0	0	0	0	0	0	0	0	8299	0	0	55514	2718	0	0	0	0	0	0	0	0	0	0	0	1216	0	0	0	0	0	5283	0	Lipid	0.125	1.5416666	0.041666668
18	C24 H37 O3 N1	388.2846	388.2849	-0.34884322	388.2845	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4438	0	0	0	0	0	0	0	2912	0	2451	0	0	1265	0	0	2473	0	0	0	2513	0	1359	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1178	0	0	0	0	0	0	0	0	0	53102	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20670	0	0	5258	0	0	0	0	0	0	0	0	3283	1564	0	0	1569	0	0	0	0	Lipid	0.125	1.5416666	0.041666668
26	C24 H37 O3 N1	388.2846	388.2848	-0.2184806	388.28455	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6506	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6937	0	0	0	0	0	8075	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3053	0	0	1581	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28600	0	0	72324	2173	1561	0	0	0	0	0	0	0	0	0	17305	0	0	0	0	0	0	3467	0	Lipid	0.125	1.5416666	0.041666668
12	C24 H37 O3 N1	388.2846	388.28503	-0.108547844	388.28458	19471	12466	16915	12923	0	0	46375	10775	0	0	87736	1500907	0	0	40880	61555	67134	0	0	0	0	0	5631	10378	5962	0	39901	0	3324	13095	7635	4978	3597	2134	0	6138	1687	73536	13523	0	0	2862	0	0	0	0	0	0	4586	56861	18173	11895	0	0	0	0	9155	21447	0	0	0	0	0	2105	12963	0	0	122442	0	2647	0	0	0	13267	20941	3914	0	443377	0	0	3848	0	0	0	1679	0	1354	0	6828	31621	0	0	13742	0	3769	0	21054	19572	0	0	0	2693	1211176	0	0	15582	0	0	6056	0	Lipid	0.125	1.5416666	0.041666668
10	C24 H37 O3 N1	388.2846	388.2853	0.05870394	388.28464	0	0	1829	0	0	0	1115	4227	0	1833	1520	790	0	0	24466	2201	0	0	0	0	0	0	1131	1472	5035	0	1280	0	0	0	0	0	0	0	0	0	0	967	0	1289	0	0	0	0	0	0	0	0	0	34404	0	0	0	0	0	0	0	0	0	0	0	1054	0	0	0	0	0	1496	0	0	2050	0	0	0	1538	0	0	987	0	0	1195	0	0	0	0	0	0	0	0	24971	0	0	6022	0	0	0	1716	0	0	0	0	0	0	0	0	1806	0	0	1382	0	Lipid	0.125	1.5416666	0.041666668
16	C24 H37 O3 N1	388.2846	388.28494	-0.21568945	388.28455	0	1785	2219	3194	0	0	0	11185	0	0	0	119867	0	0	0	70692	0	0	0	0	0	0	0	0	2238	0	0	0	2675	18783	21670	0	0	2379	0	3599	3558	1314	0	0	0	0	0	0	0	0	0	0	5412	47666	2578	4203	0	0	0	0	0	15391	0	0	15800	0	0	0	0	0	1416	2113	0	0	0	0	3033	13056	13990	6357	0	101402	0	0	0	0	0	0	0	0	1762	0	0	44926	0	0	0	0	0	0	4422	0	0	0	0	3182	67259	0	0	0	0	0	0	0	Lipid	0.125	1.5416666	0.041666668
26	C21 H41 O5 N1	388.30576	388.30548	-0.22063181	388.30566	0	0	0	0	0	0	33778	0	0	0	0	0	0	4189	0	0	0	0	0	0	0	0	0	0	0	0	18857	2667	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7123	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2034	0	0	0	0	0	0	0	2477	0	4552	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23809524	1.9523809	0.04761905
28	C27 H49 N1	388.39377	388.39413	-0.27489257	388.39368	0	0	0	0	0	1164	0	36185	0	0	0	0	0	0	0	0	22878	0	1753	0	0	0	0	0	0	0	5965	0	0	0	0	0	0	0	0	0	0	1671	27750	0	0	3282	0	0	0	0	0	0	1452	0	0	0	0	0	0	0	0	4254	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5738	0	7313	0	0	7334	0	1115	0	0	0	3545	0	1536	0	0	0	0	0	0	0	20962	0	0	0	0	776	0	0	0	0	0	3330	0	0	0	0	Lipid	0.0	1.8148148	0.037037037
28	C18 H12 O10	389.05032	389.0507	-0.146047	389.05026	8702	7535	7657	8344	16560	8473	3684	0	16777	3322	1068	3093	33741	10485	5320	2839	0	28499	25056	0	0	4866	7916	2485	4125	0	1418	0	0	0	1315	0	3321	0	3322	0	4233	4269	1987	1235	2469	3561	0	0	0	2454	2364	1639	2439	0	8431	5516	12385	0	20211	12616	5470	2337	1637	1944	2117	1968	35135	17890	6524	24991	7906	2421	0	0	1454	1259	0	0	0	0	0	1895	14307	2881	14578	0	0	0	25303	12728	11266	6396	7397	4595	1789	1356	4461	6124	5934	0	6789	5050	9278	16521	19249	3355	2741	2704	0	2219	14979	0	4195	32832	Phytochemical	0.5555556	0.6666667	0.0
12	C18 H12 O10	389.05032	389.05084	-0.14906056	389.05026	9129	11741	5731	10437	18403	7409	0	0	24496	7320	10856	3955	32717	4892	1713	2569	0	15938	23477	4324	14349	21979	4506	0	0	0	1442	0	0	0	0	0	3083	0	14130	0	1725	4074	2839	0	10157	5532	307	0	0	2344	4860	0	0	0	6652	8901	11680	0	22512	16465	6964	1673	0	0	0	2436	55645	23233	8970	23906	6817	0	0	0	0	1327	0	0	2206	0	0	1260	6699	0	7511	4110	0	0	28010	6938	5166	8656	6462	5157	0	3064	0	34470	19457	0	5860	7030	20698	31905	26064	3347	1497	0	0	4092	16583	0	0	34775	Phytochemical	0.5555556	0.6666667	0.0
14	C18 H12 O10	389.05032	389.05084	-0.019627092	389.05032	17247	14145	6184	11188	39304	12924	1966	2099	44778	15903	18675	4553	67859	12963	4447	5281	2480	38232	34909	5497	14810	38204	12068	5370	1259	0	4026	0	0	1616	1357	0	7276	1730	29535	0	5226	6618	3665	3711	8420	10739	0	0	0	6385	12623	497	2087	0	12862	12611	25487	0	39210	36925	18701	5467	0	8607	0	10543	81222	49324	14629	45816	10532	4438	0	2593	4895	1452	1259	0	1369	0	233	5302	19265	18521	14657	10225	0	0	43950	21801	17081	15027	12770	8788	2702	3362	6823	45423	22944	0	18178	15111	27386	65652	43677	4142	2387	3162	0	5153	27639	0	2378	65097	Phytochemical	0.5555556	0.6666667	0.0
18	C18 H12 O10	389.05032	389.05078	-0.080318086	389.0503	16304	17135	8869	11167	37806	25427	2352	0	36122	12324	7338	6771	71908	26489	8549	4456	2590	53001	49387	5390	5877	28645	9091	4652	2445	1839	4808	0	0	0	4043	0	7372	0	15846	0	6493	12848	4478	6650	4618	10210	1259	0	0	6525	10666	1197	3457	1436	15126	17084	25931	264	42952	38594	17795	5729	1453	3517	4297	6913	87631	43744	16197	68031	19471	3953	2130	0	2915	2557	0	0	1984	0	802	3665	17238	13326	22131	9499	0	0	54349	25055	17233	15717	20584	5876	4959	3739	5729	27988	22858	581	17449	15172	32436	56393	53459	6317	3961	2507	4581	7163	29834	0	5782	75649	Phytochemical	0.5555556	0.6666667	0.0
16	C18 H12 O10	389.05032	389.0508	-0.07929134	389.0503	30378	38166	38290	31048	76258	50472	6708	5648	106366	25854	20552	10996	178672	40654	20902	9888	9788	112744	101084	12062	33416	66148	29556	4880	3492	3914	6856	5066	4562	0	6270	0	9348	0	46406	0	14806	19948	5918	13048	28444	22388	2384	0	722	16980	34742	2068	4904	2166	29182	30362	62256	0	76032	92510	41814	10734	8140	10602	0	20018	170192	109832	28542	115546	31968	8548	7258	0	7848	3264	0	0	0	0	964	9300	52084	40386	33304	13198	2326	3554	129258	43964	43754	40128	35268	0	0	11422	0	87890	54802	0	19168	28692	76856	144698	123526	12178	13306	5210	20338	0	88760	0	4376	176542	Phytochemical	0.5555556	0.6666667	0.0
20	C18 H12 O10	389.05032	389.05078	-0.0239299	389.05032	8802	15329	12564	6568	41234	15406	2225	0	33585	3627	2911	2288	55158	18790	7486	2967	2892	40925	34089	2362	7696	21440	9187	4988	2595	0	4090	0	0	0	2733	0	3724	0	5522	0	6365	7285	2074	1695	4127	8321	506	0	373	2421	7063	1577	1460	0	8548	10741	17951	0	29864	28592	16244	3122	2959	3137	2083	2795	61757	32236	12050	40926	14538	2307	3540	0	0	0	0	0	1457	1359	488	5110	19473	10875	15642	5131	0	0	45451	22482	16275	15920	10838	4220	0	4719	6808	21932	12415	672	11133	6563	24468	45206	47575	3098	4569	1292	3303	5362	27087	805	3857	56560	Phytochemical	0.5555556	0.6666667	0.0
22	C18 H12 O10	389.05032	389.05078	-0.027640997	389.05032	6031	5986	4128	6803	22171	10032	1854	0	17284	5916	1689	2464	32179	15570	5123	3730	0	30635	17689	0	0	7281	8283	4293	3805	0	2431	0	1936	0	1795	0	0	0	1868	0	2555	4525	2380	0	0	2703	0	0	743	2263	5817	0	0	0	8378	9614	16295	398	25597	20053	9913	0	0	0	1405	0	35035	29723	5585	28649	5866	2254	0	0	0	0	0	0	1537	0	871	1829	16363	8583	13285	4838	0	1542	40944	12187	12747	7549	8614	0	0	0	2754	11249	9533	0	4803	5052	12372	38249	34634	0	1867	0	2464	0	20264	0	4134	41530	Phytochemical	0.5555556	0.6666667	0.0
26	C18 H12 O10	389.05032	389.05066	-0.17191157	389.05026	6264	6937	6778	4700	18362	6319	2026	0	15665	2446	0	3015	29105	10725	0	0	0	25416	27005	0	0	4543	7204	0	0	0	2712	0	0	0	0	0	1999	0	3581	0	4068	4300	0	0	2361	0	0	0	0	0	0	0	0	0	5271	4328	10530	0	21796	16159	4531	0	0	0	0	0	34513	18075	5310	19336	3531	0	0	0	0	0	0	0	0	0	0	0	12472	0	14902	0	0	0	35153	15479	8348	4472	5481	3134	2525	0	0	5052	4801	0	6291	6789	9117	17857	18389	0	0	0	0	3289	12202	0	3311	37289	Phytochemical	0.5555556	0.6666667	0.0
24	C18 H12 O10	389.05032	389.05075	-0.065978855	389.0503	5177	8836	4097	4676	16857	9795	3088	0	20652	1528	1580	2337	37768	12544	4014	1784	1873	22636	20850	2362	0	5405	6237	2961	1496	0	1970	0	0	0	0	0	0	0	3381	0	2572	3672	2020	1189	1641	1562	0	0	0	1058	2450	2334	0	0	4859	4413	12269	0	22111	16379	5798	1789	1430	0	1796	0	35375	19901	7348	26872	4288	2073	1404	0	0	0	0	0	0	0	0	2465	15706	2148	14470	2015	0	0	31947	10890	9306	5743	5834	1986	0	1773	2365	7527	7996	0	5418	4825	7855	22478	22143	2510	1763	0	0	1952	15895	0	3305	32288	Phytochemical	0.5555556	0.6666667	0.0
12	C15 H16 O12	389.07144	389.07205	-0.008237859	389.07144	0	0	3817	0	8030	3785	0	0	12106	0	2785	0	22568	3072	1175	0	2001	6951	13973	0	0	0	1930	0	0	0	0	0	0	0	0	0	0	0	2356	0	1595	0	0	0	0	3370	0	0	0	0	0	0	0	0	0	2015	6661	0	14066	13972	4039	0	0	0	0	0	31437	18055	2999	13700	5423	0	0	0	0	0	0	0	0	0	0	0	2548	0	1126	0	0	1380	8638	2493	1702	3767	3010	0	0	2215	0	5199	0	0	2436	3394	7004	12095	9293	0	1331	0	0	0	9362	0	0	27210	Phytochemical	0.8	1.0666667	0.0
14	C15 H16 O12	389.07144	389.07202	0.017375493	389.07147	0	0	0	0	6990	3548	0	0	10132	0	0	1091	22727	2341	0	0	0	7298	6673	0	2580	0	1233	0	0	0	0	0	0	0	0	0	1590	0	1870	0	0	1372	0	0	0	1100	0	0	0	0	0	0	0	0	0	0	4301	0	8526	9501	3749	0	0	0	0	0	20931	10996	2127	10390	2736	0	0	0	0	0	0	0	0	0	0	0	1306	0	1105	0	0	0	7856	0	0	1756	3895	0	0	0	0	0	0	0	0	0	5938	9069	6690	0	0	0	0	1636	4089	0	0	22527	Phytochemical	0.8	1.0666667	0.0
26	C19 H16 O9	389.0867	389.08707	-0.1462235	389.08664	12706	10466	11690	8356	18326	8412	2415	0	21405	20529	4915	0	40303	11695	6471	0	0	31219	26088	10713	15135	23048	7455	0	0	8185	1680	2855	0	0	0	0	3691	0	22595	0	7176	5288	4191	9460	8966	0	0	0	0	7319	9636	0	0	0	11763	9430	9955	0	26765	22901	7816	2283	3055	0	5728	6756	41139	21062	6719	25731	6034	3488	10567	13639	15349	3634	0	0	0	0	0	3822	13281	10008	13054	6707	2492	5108	29567	10289	7908	7729	6805	2745	4698	7146	6027	19630	32376	0	11009	11663	11190	20524	21229	0	3916	0	0	0	16860	0	0	38606	Phytochemical	0.47368422	0.84210527	0.0
8	C19 H16 O9	389.0867	389.0873	-0.08097597	389.08667	17504	20052	9921	14562	19023	11611	6543	7450	25585	44376	28329	9896	23706	8043	5895	9231	10307	16607	18803	21208	36895	24838	10476	10910	2314	12650	6385	9559	5383	6128	4862	8270	9348	5265	50334	4629	7748	10161	13132	16451	25455	9869	0	0	0	12335	24110	0	8567	4976	18023	18843	11910	0	24034	18651	11852	9723	5543	10905	8525	10016	34929	22901	10762	20136	10216	10887	27122	22625	44033	6413	5567	3900	6282	6184	0	6478	18706	14946	14083	11632	5163	6703	24608	10809	12234	11015	12620	14739	0	8505	9811	21472	22548	0	21777	15368	25503	29436	27312	9742	8079	8794	8279	7042	19184	0	6689	28875	Phytochemical	0.47368422	0.84210527	0.0
16	C19 H16 O9	389.0867	389.0872	-0.08744026	389.08667	145697	150413	136988	149863	190749	122493	48590	51140	213852	399171	221068	43934	288402	100790	83826	62864	42407	252756	247539	251994	273792	281106	97652	66216	49114	159867	45833	129594	42037	36272	49922	47187	88587	38349	504733	34907	83838	70853	52181	179955	169732	78480	4905	1021	1091	155748	186819	1886	63499	39142	143269	163433	144761	1001	215483	158692	95811	73144	71195	50366	71489	140059	336400	177617	75469	231541	104651	42984	202547	235082	242829	49418	38519	27251	32288	43109	876	46935	133413	210566	103047	156566	40169	110997	206780	113438	122312	93058	91948	74612	89583	123926	84847	265818	331435	1512	152734	134434	167706	186884	178006	68717	47649	61503	134982	70811	154455	1019	64229	295400	Phytochemical	0.47368422	0.84210527	0.0
14	C19 H16 O9	389.0867	389.08722	-0.052685224	389.0867	131173	142814	118657	133000	147218	91853	40767	49429	176561	346893	218619	53310	228520	68993	64241	63548	44937	191507	179902	210123	249595	273477	76213	69377	40337	147590	51413	143127	31707	34929	41525	32873	74828	38090	443503	39274	68761	64855	48458	154048	193531	66799	3913	352	374	136009	219254	1028	46541	43844	125660	122784	107320	691	173706	130975	73460	73569	74865	55007	90816	140565	253186	159133	69518	173315	83460	55715	221285	193113	253413	43104	39792	24380	38543	42583	569	44470	114750	201903	95155	128768	45497	96709	163316	97384	93092	73574	80143	76888	70386	97763	84948	245350	253515	1093	130405	111643	145653	169834	156774	65663	52311	70886	153024	60575	117541	478	45372	217461	Phytochemical	0.47368422	0.84210527	0.0
20	C19 H16 O9	389.0867	389.08713	-0.12349798	389.08667	70033	69398	64547	63755	106037	79660	25375	16628	115171	130885	63596	22146	179040	65886	35843	20008	18111	143713	128388	89079	97703	106550	43846	27897	23467	67922	22100	41512	17440	10299	20551	17885	35095	17635	145605	13092	41827	31679	16934	68410	52657	36568	5322	1052	1093	60628	78618	2730	27729	18394	60092	60292	73014	1237	125524	97624	49561	31217	32203	18284	23316	65296	173352	106801	42003	122446	57151	15096	68591	88119	94119	14806	10485	5782	10124	10984	1381	19706	64796	82091	54167	57842	25444	50554	123389	58177	59007	40167	46950	22085	35919	43806	41837	107488	112065	1391	66276	59515	88802	113237	112742	26510	17875	29003	50796	30739	91795	1440	32351	187386	Phytochemical	0.47368422	0.84210527	0.0
24	C19 H16 O9	389.0867	389.08707	-0.110707395	389.08667	14234	20364	16112	18177	33297	15610	3173	1649	28801	34178	10143	3691	54963	13971	8110	4539	1395	38466	35909	14885	21993	35383	13542	6457	6298	10868	3936	4659	3156	0	2256	1019	5353	1960	34721	2594	5270	8143	2615	13281	11882	4793	2087	0	0	16062	19920	0	1993	0	18009	17436	20153	0	47104	27266	11690	4521	6419	1934	3376	11250	56423	35377	8084	34384	9088	3020	18110	18745	21378	3230	0	0	1834	3168	0	5170	21796	21387	17766	11710	4112	8567	48001	18030	16024	6132	11457	3678	6006	6269	8869	42670	46367	0	14799	20339	18161	38262	31080	6283	4809	6039	15184	5578	22726	0	6995	61096	Phytochemical	0.47368422	0.84210527	0.0
18	C19 H16 O9	389.0867	389.08716	-0.09697672	389.08667	120062	121866	118082	113215	164709	108842	32203	40753	165857	269086	155057	40526	298247	100037	65263	52606	33002	246275	229350	188766	168656	222811	75998	57353	48241	123256	39022	101081	37799	28462	42178	35372	63880	28905	332860	26938	74997	58009	29370	141862	103648	58893	5936	886	1180	132972	139681	1993	40245	31118	115225	111235	121719	1213	215840	149633	78650	63399	52696	33445	60077	98489	287568	168360	69046	213081	91227	37373	130937	149492	160339	33846	23270	17466	24701	32708	1320	40202	109563	126618	102609	117626	35209	85252	186539	116484	98388	77019	81997	49128	84851	102002	88284	186765	254815	1420	121956	104595	135093	154083	156580	59403	39545	55114	89659	43616	120918	1013	46428	254848	Phytochemical	0.47368422	0.84210527	0.0
22	C19 H16 O9	389.0867	389.08713	-0.124843016	389.08667	28410	28662	29389	29543	59856	34561	8647	6368	63744	56497	22267	8002	77280	32104	13595	8372	5238	70885	54808	29149	40958	48704	22038	15414	12182	23636	9225	14121	6868	4544	4474	5645	14190	4511	62880	3364	15224	12925	5352	27410	24760	10736	0	0	1067	22992	39807	0	4974	6493	32558	26619	38013	1194	69310	56009	21281	10361	9534	4400	11194	23753	101964	57805	20930	68749	24619	3787	32362	41758	44733	5953	2163	1725	3600	4064	1333	8775	34509	40266	33002	29350	5862	19135	73923	44763	27297	16695	18189	5965	15985	17242	12319	59125	71344	0	22191	30710	37181	73434	68205	11048	6356	11076	26434	7566	39296	0	14878	95301	Phytochemical	0.47368422	0.84210527	0.0
12	C19 H16 O9	389.0867	389.08725	-0.097207524	389.08667	82549	94605	86575	93370	79018	51387	39024	34731	107386	212913	164132	32189	114358	37415	36425	48377	45443	99466	113505	149413	169691	175393	49887	51973	17533	87860	40453	85726	24331	22779	31209	29919	54106	28004	279910	27443	37964	42877	42337	105961	147861	39193	1468	0	0	94664	159053	545	36120	29634	89323	87517	67781	729	106923	83964	44634	40856	34736	55666	55805	79570	171584	97026	42008	105701	48169	51556	161265	125194	204449	28739	26227	21669	34188	30121	226	30370	73648	99978	66180	83258	24663	51555	108721	58118	69036	44270	46123	65772	28614	49746	54605	164900	139641	570	81461	93912	105783	94490	87535	44911	31214	43621	81848	37578	77942	0	31302	150945	Phytochemical	0.47368422	0.84210527	0.0
28	C19 H16 O9	389.0867	389.08707	-0.14722511	389.08664	9860	8932	10552	8556	16382	9945	4599	4174	14759	18438	4819	3499	26765	7283	5941	6423	3599	23797	24651	10840	10371	16012	8090	4948	5519	5519	4512	2931	0	0	2915	1730	4653	1780	18255	0	6102	6729	1827	6951	7555	5210	1479	0	0	7605	8995	1854	3800	0	8960	8653	12404	0	20791	15549	6442	4346	4053	3017	5373	4730	25266	17237	6171	19021	6625	1561	7029	11608	11428	1809	2387	0	0	2266	0	2974	15593	9365	10515	5844	3806	3717	20275	11395	9752	6553	5337	2134	7400	5757	5934	11490	19973	0	8491	10247	10530	18684	19995	4923	2995	4059	5972	5678	11314	0	5222	24765	Phytochemical	0.47368422	0.84210527	0.0
10	C19 H16 O9	389.0867	389.08725	-0.097174644	389.08667	43670	42656	35867	33903	43430	26668	16564	16834	58056	110708	72105	22255	58511	23821	17587	24471	17670	50982	55148	70843	80761	69468	29389	28278	7572	47729	13569	32017	13476	16106	17488	17136	27297	14437	139380	11242	22479	19600	25305	49141	74510	19016	1282	0	294	39715	70460	0	20765	14193	41268	39333	29175	0	51926	40965	25192	22845	14863	19600	21924	37451	78952	50720	24354	56929	26822	27354	77851	65407	109303	16393	14944	9405	14102	15013	0	16039	43817	35361	33019	38707	13128	19264	62422	28168	38607	25079	27418	28874	14749	26124	28688	74955	75231	0	42941	40854	51279	61348	54785	21258	18232	20642	34078	19105	45174	0	13077	70242	Phytochemical	0.47368422	0.84210527	0.0
10	C18 H16 O8 N2	389.09793	389.09848	-0.12545596	389.0979	32679	27741	26571	34281	35587	15941	12841	11767	40858	79107	46945	12509	58449	16337	14118	18049	19630	72520	39924	44985	73076	72864	17819	19677	7234	24083	11690	22828	11586	9859	10683	12029	24917	9004	93463	9514	19512	13717	20376	60196	103144	16223	0	0	0	42136	81845	0	13254	11369	35025	32897	19960	0	43917	30373	16200	15394	14413	23058	12695	53000	62142	41728	14646	38080	18521	24013	55920	46408	86102	11275	7034	4209	10539	8781	0	9444	30723	36429	19397	35857	10146	28294	89230	18611	25121	16296	18465	43533	15614	22906	31802	69899	73032	0	32630	28402	27254	37821	31928	25009	12765	19347	40390	19253	27136	0	12131	61298	Phytochemical	0.44444445	0.8888889	0.11111111
20	C18 H16 O8 N2	389.09793	389.09833	-0.14979516	389.09787	16337	21695	14432	8062	15819	11086	3811	6586	9435	41431	23736	5031	16775	5008	5087	5537	5410	16593	16809	13218	22126	32857	5793	7005	4225	35742	7591	18536	3316	1368	3916	2985	14094	4016	34778	0	9630	7118	7206	25236	30634	8759	610	0	0	11221	32277	0	4210	4064	9952	13931	11471	0	6414	5023	9453	4298	5944	6705	4624	17199	22068	6959	3977	19364	9777	10560	37528	43153	52734	0	3868	1448	5217	1882	0	5129	8457	30790	6711	10091	6357	13996	12138	5970	13113	9685	10384	13413	9989	9026	5530	43702	31164	0	12495	7012	7868	11208	13354	6712	2679	10606	11449	4397	6706	0	4522	21198	Phytochemical	0.44444445	0.8888889	0.11111111
8	C18 H16 O8 N2	389.09793	389.09854	-0.0686638	389.0979	22263	21465	12893	21132	18109	7307	4763	7735	27359	46981	36145	8620	69684	6088	8879	10470	9626	15585	21188	30770	45888	46699	10015	11868	3982	10333	6293	11255	3603	5966	5863	5672	12466	4469	67166	5989	10634	5398	14553	32966	58525	9385	0	0	0	25129	56493	0	6582	4980	19971	17781	12576	0	29088	18739	8611	9455	7621	8263	9954	28256	44873	23863	7534	28489	11407	12186	32822	23358	56639	6053	5219	3513	6729	4957	0	4176	12490	20189	9273	19941	4467	10733	26769	8656	15807	11966	11133	19671	0	17213	20492	49933	37473	0	21626	15863	21080	28853	32991	11707	5159	11771	14470	9379	14241	0	5419	36790	Phytochemical	0.44444445	0.8888889	0.11111111
16	C18 H16 O8 N2	389.09793	389.09842	-0.10623651	389.0979	28390	31417	33890	37152	36180	21496	22782	15741	38450	82223	45713	18774	59303	14856	25183	17784	14075	44920	44875	44496	61972	90043	23856	34981	15930	26024	23983	25046	16868	16043	11410	13734	40953	20224	111671	18459	36495	24552	31363	65136	99693	16045	885	0	0	46669	65874	0	30335	20957	36863	41928	33057	0	42226	25893	20089	26385	19616	18248	18934	44302	54068	38322	14068	44496	28459	24114	53387	59916	73176	21429	7529	8369	18239	14192	0	13316	32296	66172	25688	48320	18650	33200	36069	23156	33076	30157	30157	34226	23332	49709	34047	76542	86446	0	30558	30811	22047	34953	23433	31706	10186	16729	33918	27147	32297	0	27502	62539	Phytochemical	0.44444445	0.8888889	0.11111111
12	C18 H16 O8 N2	389.09793	389.09848	-0.07581032	389.0979	39231	45631	41576	36684	85800	24224	16809	14836	45970	94966	55404	17689	62592	14795	17144	21140	26734	49673	57458	69889	103107	114331	27805	24698	14953	27654	13839	34338	12234	10992	13748	15442	32796	9953	132726	10682	23449	21796	27557	87366	147930	24898	442	0	0	58839	106163	0	19833	12229	36359	37483	56662	0	49200	32970	20906	31614	22042	22618	20253	69561	88052	47458	17949	115362	23531	37220	69940	75673	114765	9974	9526	5994	12029	13225	0	14770	40225	82182	26867	49803	14732	35764	48349	22426	39843	24592	22396	70255	22097	36879	47664	98438	81372	0	42246	43095	39225	50034	41196	34711	13908	24844	63933	25773	35262	0	22591	76287	Phytochemical	0.44444445	0.8888889	0.11111111
6	C18 H16 O8 N2	389.09793	389.09854	-0.10295021	389.0979	7152	7356	6796	8951	8840	3057	1233	1634	11706	16555	15705	4128	15128	3418	2135	5512	4993	9406	8968	7911	19603	14535	2719	2693	638	2357	1729	2942	1707	2208	1191	2977	4725	2346	21232	2585	3627	1819	5068	8771	22879	3524	0	0	0	8162	18696	0	1948	1753	6391	7619	5586	0	10105	9797	4022	4256	1886	3319	4709	10432	21425	9421	3515	12053	4467	6320	10072	6971	21597	1910	1646	868	0	1382	0	1778	4379	0	3055	6486	1366	3113	10606	3803	4198	5252	3280	6254	0	3870	6450	16290	12022	0	4869	6414	9305	14673	10699	3399	2162	2968	12819	3678	6981	0	2588	20057	Phytochemical	0.44444445	0.8888889	0.11111111
22	C18 H16 O8 N2	389.09793	389.0984	-0.10036853	389.0979	10033	9077	6726	12778	16834	5242	1446	1963	8081	26217	21969	2274	13095	0	1868	2654	4566	11043	9472	3708	15458	18708	3253	4880	3691	49934	3632	16272	1364	1278	1877	0	5850	1670	17435	1269	7660	3397	5898	15516	26011	6005	0	0	315	14305	22175	0	2458	0	13629	2018	11338	365	9948	8392	6725	7854	2052	6730	3511	11700	14968	11283	2057	13543	10912	1796	50908	24796	53369	2453	0	1341	1209	0	0	0	8805	17306	8115	16497	4870	15781	20542	9692	9330	9526	6931	8648	2356	3280	7449	38354	27237	0	11304	9846	10593	19917	17362	4056	4616	3322	8070	4083	11843	0	5777	13560	Phytochemical	0.44444445	0.8888889	0.11111111
14	C18 H16 O8 N2	389.09793	389.09845	-0.10475978	389.0979	35952	40387	47678	38095	50906	27832	24474	16966	44032	78787	55247	17516	74196	18886	18456	25273	36187	55927	55696	61105	91397	96848	27122	28137	19290	34532	22290	31264	15315	12438	16297	16505	35223	12267	126574	12340	33321	15226	40374	73436	108540	21425	0	0	0	54024	79778	0	21696	15907	40826	41314	38014	282	57009	34871	25397	30674	24110	30908	36346	69535	85026	52831	20433	44869	29838	33888	74205	58574	92903	12439	9664	8902	21431	15498	0	18302	44940	59998	30624	46121	15425	37716	46529	22193	42096	32414	27785	51579	29577	44779	55416	100845	92294	0	42877	41194	31136	45661	36876	30941	16260	21751	57629	26456	33614	0	27088	76616	Phytochemical	0.44444445	0.8888889	0.11111111
18	C18 H16 O8 N2	389.09793	389.09836	-0.12480011	389.0979	27500	21420	24208	26285	28754	12719	8040	6581	22002	46564	31728	5734	25983	12384	11471	16327	13178	23783	26287	26943	42874	62794	17463	14313	11880	36466	9620	22084	6880	11585	10246	0	16160	6850	61333	4349	31313	14681	22560	47127	59795	16150	493	0	0	22586	50460	360	11847	4810	23821	19403	24162	0	21716	18774	13643	20731	8756	9912	8707	33499	46793	18177	12839	34737	19737	16676	41627	36340	68450	12802	4813	2232	8820	5401	0	8619	26593	37213	16005	30562	8546	18655	27716	11531	27741	16420	12166	24960	23972	20821	40647	63407	58575	0	18237	32708	20377	19556	19093	15119	8510	12334	20400	18050	19147	0	17744	33947	Phytochemical	0.44444445	0.8888889	0.11111111
2	C15 H20 O10 N2	389.11908	389.11984	0.07047293	389.1191	0	6906	3873	4202	10970	0	1396	6448	7167	2770	0	6495	17349	4691	4170	570	4719	13518	10518	5354	5427	10597	6071	5499	1986	688	0	0	3120	4661	6239	9228	12071	5787	4122	7483	5142	2546	2796	3762	1887	0	1284	1160	2536	3899	1693	2156	6127	2462	3276	4860	7032	1506	10220	5506	2040	6783	1164	3011	1732	996	18981	13331	0	14956	8440	6578	3230	536	0	5660	4580	3811	0	6538	2888	4237	5640	0	2592	3064	1570	902	6627	2624	4061	10814	10830	5190	1960	4461	8151	2695	0	4838	3960	5214	2172	4665	6559	4635	6866	3044	3434	6240	2199	1760	1538	25416	Unclassified	0.6666667	1.3333334	0.13333334
10	C15 H20 O10 N2	389.11908	389.11966	0.0172429	389.11908	8828	6135	6790	5578	6050	9495	4923	10066	9871	4050	3718	6474	14222	0	8551	12241	9219	13379	17522	8002	11820	12837	7830	3132	4161	10383	2743	0	0	7114	4004	4654	8467	5584	10096	7208	12165	4368	12738	13393	13192	11736	0	0	0	0	4246	0	6394	7445	7763	6226	8864	0	15230	5426	5275	7618	0	5517	0	9244	17843	11741	3616	8680	7018	9819	0	10895	10206	4789	4112	9223	33613	0	0	4956	3300	0	9566	5277	4258	6375	9090	7387	4838	9675	7464	16646	6822	10264	14413	5947	7512	0	5156	6901	7167	8871	6123	11188	7413	0	0	13260	16161	0	3068	17643	Unclassified	0.6666667	1.3333334	0.13333334
16	C24 H20 O3 S1	389.1206	389.12097	-0.124783576	389.12054	22968	17422	13356	28536	17782	18214	10844	10101	11732	13080	11744	20868	4284	15640	8462	21178	19286	13050	21388	12220	22522	23898	11636	10038	7474	35218	12554	10346	8950	14730	15312	0	9624	17038	29946	19345	11498	10840	20930	42438	36592	7198	4038	1342	0	13412	10748	0	19358	17139	7756	17170	9998	0	4580	8976	13383	28598	9100	7912	0	30896	19790	16496	11710	27694	24804	24726	22990	18470	39890	14266	14443	6978	51446	13132	0	15954	9408	0	13444	14840	17248	24100	5854	6055	15266	16908	13856	0	25410	22884	0	19980	20266	0	16644	3000	11472	12656	4644	13646	15696	21902	0	0	19104	1050	18326	17338	Organosulfur	0.125	0.8333333	0.0
22	C20 H20 O8	389.1231	389.1235	-0.11948313	389.12305	117337	128607	103527	114094	144426	99491	36579	55770	158653	291385	134623	39991	193496	91943	62923	55145	39539	187884	133842	219208	229518	157110	80404	75574	62421	232427	31260	114599	56472	40463	50518	46893	69743	50471	297473	40365	70509	51671	38836	159533	116322	55576	7461	3414	2894	133487	141743	3516	46456	45889	111661	112893	106248	3338	166909	138830	73112	73843	58129	36370	58485	120868	215475	144927	59135	172555	81513	44986	201656	332007	309090	57412	41118	34359	33013	42768	3182	45614	110129	90359	89435	115507	45259	92483	155785	88619	94787	63560	75442	54823	84306	81950	85381	122985	168174	3282	101060	100799	120043	145458	142359	62150	46177	64685	99784	62263	121271	0	53843	240125	Phytochemical	0.4	1.0	0.0
12	C20 H20 O8	389.1231	389.12363	-0.077562094	389.12308	245410	262662	249025	247622	152095	105808	152914	207775	195934	985490	361949	130459	161237	91400	137084	214504	158170	180562	227044	991196	898832	332844	172812	229205	118877	902060	153278	265864	147846	164002	172310	185936	196006	149706	1196112	158819	159414	147689	195299	703640	427096	106331	5756	1567	1680	264155	366737	1888	196728	200583	261618	264072	136428	1739	195774	139933	101183	220438	196330	209520	259931	246570	226475	144598	88273	175332	115368	215572	548184	1224076	1433664	170938	167460	161571	155828	187139	1439	132721	198607	168543	196247	243634	153881	223329	182989	109255	182475	100927	123510	245885	160635	190273	207892	228388	266627	3360	262652	251432	192143	153879	151285	195208	139512	203760	219449	162236	150677	1418	142407	217313	Phytochemical	0.4	1.0	0.0
8	C20 H20 O8	389.1231	389.12366	-0.13612539	389.12305	42260	51402	30821	49117	21914	15728	22249	39191	27793	144132	51277	26431	27284	15867	25058	40693	35620	24960	29099	123260	71565	47632	29300	43947	17072	52557	25834	30889	30858	32301	26781	34605	33272	26012	78239	32135	30827	24429	43147	50485	127762	19320	1456	718	900	47109	66767	952	35208	38273	42616	40545	16920	1160	29004	24768	18771	32624	29781	36377	32600	37248	32653	29780	16439	25379	20845	42316	74159	138486	125341	34688	38056	30765	25226	34684	950	25089	45150	23530	34559	32591	25347	35000	31909	17014	32294	18353	21529	38142	17043	30075	38663	37081	36114	1505	43525	45194	34756	32332	27227	32917	22977	39979	30089	33113	25374	692	27133	31562	Phytochemical	0.4	1.0	0.0
26	C20 H20 O8	389.1231	389.1235	-0.15222268	389.12305	24003	23085	22304	23401	36915	18325	5427	8492	38189	57424	21608	9661	69471	21340	12965	11265	6290	43672	45717	44201	52775	45591	17725	14446	9837	42246	6719	16380	8977	8047	11102	7107	11975	9343	68583	8981	16982	11823	8618	28859	31857	12006	4234	0	0	21353	25651	0	13190	6529	27998	25160	21785	0	44046	40593	17299	15210	8856	9071	11803	21940	65637	32868	10390	43198	19692	5869	58862	86300	82379	10604	7549	0	6551	9684	0	9457	26320	20440	24047	18568	5534	22805	51246	23075	17011	13474	15447	9439	16096	16392	21838	31468	66376	0	28029	29011	27139	41800	50794	12690	8920	13198	13199	9813	26281	0	9227	62814	Phytochemical	0.4	1.0	0.0
24	C20 H20 O8	389.1231	389.12344	-0.13040374	389.12305	50054	52554	41648	54375	77282	44492	14196	24040	71829	113289	45601	18211	114270	39107	33186	30975	12771	85799	81747	81503	91053	71399	37917	31872	25033	88931	13444	37164	18690	15474	17140	18388	27311	17865	117739	16667	33398	22133	14354	69462	52351	23248	4201	0	0	55020	56774	2538	21317	17627	51541	49803	46317	0	74216	62352	29481	33991	16286	12839	33172	40122	116294	65962	22730	85071	30464	18541	95938	147777	139700	19517	16525	11990	12484	18834	0	19634	44156	44911	37386	37062	14830	39619	88929	39936	49467	21890	32467	17233	25573	31462	32312	60964	89043	2693	49026	47261	49513	77701	81246	20556	17903	24284	37046	27048	46691	0	25070	106491	Phytochemical	0.4	1.0	0.0
20	C20 H20 O8	389.1231	389.1235	-0.08126225	389.12308	291482	285444	276202	237825	312719	233149	100034	151916	358743	736530	345167	99279	480298	208409	152178	158056	91940	416729	379159	597015	563917	375085	172832	175886	154987	590156	98016	287111	125458	109675	127195	123681	176004	129291	857861	109497	218950	130311	99774	425091	294711	146487	12971	3848	2385	334620	298777	4495	144338	119138	263705	304827	228222	3384	352482	259021	150720	187005	150053	93084	170706	285716	463164	297841	137918	340118	181177	108391	517415	860171	682527	140901	119177	99741	86149	136245	2829	120687	231196	214635	183714	237760	119141	319610	332339	174752	194551	156366	172733	131816	225825	239121	230741	285504	362370	4727	273829	267886	273991	299595	278722	165600	111932	177342	227052	150294	224064	3707	132038	503970	Phytochemical	0.4	1.0	0.0
10	C20 H20 O8	389.1231	389.12363	-0.11591078	389.12305	114964	116917	95477	95600	63683	51309	66699	96501	85432	439352	133455	70281	75033	49748	70826	106705	73532	76808	94878	386620	366690	112483	74200	98668	46714	201648	71074	92028	63834	82728	74857	92342	94909	69963	454838	77641	81880	71419	98008	146074	329958	51217	4008	899	1795	110904	146040	1459	91714	91472	115739	110377	54932	1447	86560	63396	45348	97851	85937	88850	101095	99446	80518	74427	48828	73087	47544	98179	214807	483394	586680	86123	80889	75051	70249	87909	1460	62933	113125	73212	94911	189936	65941	79605	85533	44544	80962	45193	57072	96310	67221	83908	94741	191014	234544	2422	112159	109617	75465	69512	66895	78877	72007	101800	104232	73387	66348	1119	66731	88032	Phytochemical	0.4	1.0	0.0
28	C20 H20 O8	389.1231	389.12347	-0.14683683	389.12305	19042	12640	17178	13991	23387	12949	6189	9216	24332	35561	14154	5539	38999	13414	10579	9116	7569	25942	24568	28019	29325	18393	13478	11795	10552	26844	6470	13155	7099	6741	6346	4815	10214	5392	36158	6398	6362	6709	4975	14533	15979	9420	2513	0	0	18197	18222	1836	7529	5478	14916	15352	14631	0	21565	20264	8390	9834	7983	4626	12742	10817	32373	18483	8365	26950	10719	5655	28263	49935	42887	6716	4893	4050	4730	5789	0	5433	17243	16591	13960	10331	6539	11229	26699	16194	13026	8741	11520	7795	10901	14007	10689	17968	29124	1747	16774	15634	13793	25305	26779	8081	5556	8330	13664	10573	16159	0	6687	33754	Phytochemical	0.4	1.0	0.0
6	C20 H20 O8	389.1231	389.1237	-0.13971065	389.12305	10797	14939	10455	10816	5377	4692	7165	8828	10528	21817	14284	10149	6680	6782	7845	14674	11786	9584	9827	15889	40710	15206	11282	16153	5391	14099	6400	5923	8674	8710	9805	11241	11589	6439	42036	7357	8736	7154	13329	10592	34156	4953	1055	691	902	10594	20021	1095	13030	11023	10683	11364	5878	820	10028	9420	5456	11107	7386	12485	11729	9995	10790	8363	4865	7237	6755	13434	21222	19753	29041	7528	9978	9000	4760	10607	774	7055	11273	6786	9047	9308	8168	6966	10430	7666	10252	5934	7310	15868	6438	6329	9305	10557	11752	1363	11333	10348	9034	10433	10467	13042	8304	14457	13008	9875	6879	671	7695	8910	Phytochemical	0.4	1.0	0.0
6	C14 H20 O9 N4	389.1303	389.13104	0.011936905	389.1303	1517	1538	1286	0	0	4959	854	2081	1171	0	0	975	963	0	1977	0	1057	625	2454	0	0	0	2000	1119	1475	0	0	0	1434	1609	5129	1413	6482	0	965	0	4227	1903	0	0	0	1270	0	0	0	0	0	0	2299	1583	0	1464	1025	0	815	0	0	1713	0	0	2329	0	1286	0	0	2181	2624	0	0	0	0	1926	837	1125	20228	0	0	0	0	0	0	0	710	0	0	0	0	905	1842	0	0	0	2886	0	0	0	1464	0	0	0	0	3577	1690	0	0	3520	0	0	0	0	Peptide	0.64285713	1.4285715	0.2857143
8	C23 H20 O2 N2 S1	389.13184	389.1323	-0.13210449	389.13177	0	0	0	0	0	0	1299	0	0	1032	0	1124	0	0	788	1101	837	0	0	0	0	1125	1054	1940	0	0	1855	0	866	1203	1437	1288	2217	1219	0	849	912	1076	0	0	0	0	0	0	0	0	0	0	1205	0	0	0	0	0	0	0	0	1650	3131	0	0	0	0	768	0	0	0	0	0	0	0	1565	819	0	25622	1360	0	1906	1183	0	1318	1306	933	0	0	0	0	770	0	0	0	0	1451	0	0	0	1355	0	0	0	0	1470	1165	0	0	0	0	0	1709	0	Organosulfur	0.08695652	0.8695652	0.08695652
10	C23 H20 O2 N2 S1	389.13184	389.13235	0.132911	389.13187	0	0	0	2196	0	0	3840	0	0	0	0	0	0	0	1476	1332	1035	0	0	0	0	1716	1691	1407	2700	0	0	0	1546	1312	2603	0	3252	1672	1172	1818	1244	1640	0	0	0	0	0	0	0	0	0	0	2111	2315	0	1579	0	0	1137	0	1561	2338	7172	0	0	0	0	829	0	0	1611	0	0	0	0	0	4270	1753	20588	2135	0	2288	1196	0	1605	1714	2270	0	1243	762	0	2713	0	1776	0	0	0	0	0	0	0	1130	0	0	0	0	1686	0	0	1803	858	0	3554	0	Organosulfur	0.08695652	0.8695652	0.08695652
4	C19 H20 O7 N2	389.13434	389.13498	-0.16606385	389.13428	12572	13649	10421	11547	9827	7145	4230	8275	13135	23046	20217	6723	17477	4915	6054	9061	11545	10942	14326	17549	30686	21357	7780	8800	4556	17131	5546	11476	6488	5859	6689	6826	9297	6935	29113	6457	7688	6031	16131	18129	29424	6518	0	0	0	16248	31073	0	9557	8189	10944	10536	7942	0	12272	12406	4552	7039	5615	10507	9379	15327	19203	11887	4348	12859	5863	12041	24955	18506	36328	7473	5805	6166	2513	5199	0	5890	9486	17708	8363	13271	4830	10169	14325	6618	9818	6966	7191	18026	8070	10687	15630	17280	24825	0	10945	12924	10853	15461	12961	9062	6650	12180	15169	9439	8274	0	5387	15232	Phytochemical	0.36842105	1.0526316	0.10526316
8	C19 H20 O7 N2	389.13434	389.1349	-0.14056239	389.13428	84700	98044	73189	88995	53141	39242	37055	70012	59735	209419	114300	44681	84734	30123	43161	74326	59592	60408	76209	194448	230025	157268	52194	81209	36495	93763	40354	80248	50602	50265	47217	59716	73850	52739	260922	50686	77473	43809	74295	176323	201205	43027	516	0	0	129244	179651	0	75530	55453	80415	92911	47259	0	60197	48725	33917	61862	44930	65818	73904	107639	81948	64288	26364	68241	44262	77034	162783	195509	265217	57847	54938	38183	33114	47467	0	42394	66734	91420	50147	75781	45306	92877	52751	31331	66893	40304	45695	94665	57498	87655	106172	131418	172790	0	97674	80947	46651	60803	50896	67278	38610	86769	60880	67225	47464	0	46473	79389	Phytochemical	0.36842105	1.0526316	0.10526316
18	C19 H20 O7 N2	389.13434	389.13474	-0.15677072	389.13428	145620	168302	154425	150543	133845	99225	102495	101820	206482	251403	147516	68409	140460	86262	121481	168377	99435	147858	166449	226000	242842	288932	103537	156013	134418	158542	92442	158154	86790	71799	89184	87015	176400	113424	309777	101418	208586	104288	119049	295899	274277	91851	3909	1254	0	175938	175033	1068	107282	91041	171184	149126	96774	0	301974	101169	82917	146247	102684	85585	135546	190370	140073	107541	74581	150462	110802	117540	165573	255531	295710	109463	69000	84497	89540	68322	0	87678	158301	211403	116609	143515	101448	182978	109816	97656	156669	111847	97125	198500	195712	234955	274630	195050	308550	0	156636	139964	90673	111918	95979	135663	81018	127538	94800	147723	93174	0	157878	177660	Phytochemical	0.36842105	1.0526316	0.10526316
6	C19 H20 O7 N2	389.13434	389.13492	-0.14123492	389.13428	44627	55065	45068	46319	34094	23426	20269	35973	40580	118996	64538	22960	51146	14667	24614	39177	32887	39712	46903	87214	130222	85881	28725	42666	15421	49709	21361	45524	30842	25510	30073	32237	43804	29117	134716	30790	41906	24966	40838	68433	115596	20182	0	0	0	61492	94674	0	37952	26954	45081	49222	30218	0	45717	32061	16430	39221	22565	37139	40817	54232	57043	36713	14428	42606	27375	49147	84250	92173	143265	28433	28370	22672	14161	25922	0	18150	32823	46647	27344	41892	24375	39061	32256	22701	31835	25673	26391	56822	29301	51577	58158	70214	89715	0	50917	45528	24602	34598	33036	41064	20618	45234	54385	40242	27861	0	22023	53121	Phytochemical	0.36842105	1.0526316	0.10526316
20	C22 H21 O5 Na1	389.13596	389.13654	0.45681	389.1361	24540	27100	22518	20387	22532	27321	20233	19367	21618	49002	30712	17570	19672	14893	17209	23354	29025	28136	24952	24107	44264	47977	18648	29197	22565	42430	15797	28251	31369	24670	14122	26988	37396	30055	53068	25480	45315	15960	19646	51809	48629	16323	1287	0	0	28202	33066	0	33104	16140	22324	23470	23657	335	13749	13745	15535	20740	17461	12245	26105	30303	23599	18514	9735	23896	18872	18188	37040	62669	66218	23165	36006	25523	31843	25371	290	18572	23433	32889	21911	24564	20422	19857	20668	13054	27337	22199	16241	34161	30195	34358	35451	34534	32704	0	28713	21308	15942	17801	16525	41869	21748	22025	19608	26014	17605	0	27302	35227	Phytochemical	0.22727273	0.95454544	0.0
22	C22 H21 O5 Na1	389.13596	389.1365	0.43805346	389.1361	7555	4521	7253	7014	6339	6936	6313	9637	6110	15063	7912	5485	8100	0	5981	3968	8863	7643	5015	5927	7230	14869	9039	6510	7269	3767	8543	6727	19917	8996	9696	9811	14379	10045	8879	13234	31998	7303	8625	15256	12596	6540	0	0	0	6352	12729	0	9874	8528	7480	8336	5110	0	5034	3241	2461	5776	6204	4029	5819	7875	4074	4953	1789	7192	4873	7075	2298	8748	7915	11222	12848	13666	3026	7052	0	6345	9281	12063	9714	7632	4663	7282	6988	3060	11938	8203	5837	13040	4907	8346	12268	13208	14336	0	7617	12843	3925	5318	4750	10882	4952	3599	5184	6956	6089	0	7729	9452	Phytochemical	0.22727273	0.95454544	0.0
10	C16 H24 O7 N2 S1	389.1377	389.13806	-0.3353779	389.13757	6687	8180	5498	5968	5375	5214	11143	11125	6211	4865	2737	4531	3560	0	13745	9117	1198	4783	6776	0	2276	4532	8548	10539	6435	0	10413	0	10858	9333	12330	12847	28357	9487	5245	15393	18369	12273	3012	0	1659	6042	0	0	0	3214	3904	0	13062	8115	6608	5906	6765	0	4187	811	4060	9507	2789	0	10408	0	1781	4609	2178	5157	7024	3673	0	0	0	6925	7836	8013	3504	10238	0	9296	4258	0	5458	1505	2319	0	2373	4424	3691	4386	6776	4551	8088	7332	12949	0	0	0	8751	6628	3685	1486	0	19853	9262	3789	0	10613	5933	0	5938	4416	Organosulfur	0.4375	1.5	0.125
22	C24 H20 O5	389.13834	389.1388	-0.17699447	389.13828	4478	4807	2459	4669	3798	0	1102	1723	6413	5365	14991	1916	3536	0	3041	3268	3028	3305	3507	3548	4771	5727	2880	2520	1294	45782	0	17210	2180	1428	0	0	3419	1644	9849	0	0	2788	3637	7172	14033	2556	0	0	0	4125	7410	0	0	1294	5560	4621	4418	0	0	4791	3820	1611	2065	3192	3155	4184	2341	1503	2541	4506	5868	2291	35719	25753	48571	3246	0	0	2243	0	0	1196	3794	6552	1959	6929	2218	7661	4342	2668	0	4172	3507	4321	2713	0	3743	7554	6424	0	3795	2570	3760	2719	3738	0	0	5473	3419	1500	2987	0	3095	0	Phytochemical	0.20833333	0.8333333	0.0
24	C24 H20 O5	389.13834	389.13876	-0.05114052	389.13834	10431	6559	12201	8223	9680	10663	4668	14679	7448	24594	21739	6828	7872	4638	8586	6579	8702	16886	14631	14402	18438	14224	0	15915	11262	23001	4587	18275	0	6699	11028	10377	16354	7095	20977	3630	24973	3803	11169	19546	32586	3543	0	0	0	11640	29558	0	11148	10455	18001	12578	8124	0	7557	3882	4847	12594	8659	2396	9282	18809	6210	9353	2064	6449	6275	6321	34524	18970	43564	13185	7854	0	6066	0	0	9432	2704	13840	8423	18692	8010	15418	3536	0	8233	6320	5967	14496	7485	1701	15460	21945	22477	0	10188	12178	3558	3273	9958	10059	8046	13427	17202	11169	7453	0	8039	14226	Phytochemical	0.20833333	0.8333333	0.0
20	C24 H20 O5	389.13834	389.13876	-0.14845598	389.1383	3423	2490	2381	2960	2525	2294	1281	0	2574	7342	8564	0	0	0	1706	2717	1242	2343	4344	3263	6746	0	1897	2255	2793	30285	1602	7194	0	1712	0	0	0	0	9950	0	2755	1212	0	6260	9928	2499	0	0	0	2009	4069	0	3822	0	2799	2656	2979	0	0	1835	3027	2375	1601	1404	0	4608	1727	1834	1647	0	3927	2278	19603	23226	30495	0	1558	0	0	0	0	0	1475	3915	2716	2970	2021	0	3326	1407	3336	2986	2156	2731	3035	2144	2593	2628	1721	0	3437	2469	2479	0	0	4622	1892	2764	1777	3021	2063	0	2316	1618	Phytochemical	0.20833333	0.8333333	0.0
26	C21 H24 O5 S1	389.14172	389.14212	0.099081635	389.14175	5117	4995	3087	3397	0	2413	0	0	0	14346	11432	0	5350	1916	0	0	0	0	4497	13566	15397	9902	0	0	0	39028	0	14268	0	0	0	0	2574	0	12290	0	0	0	0	15498	15536	0	0	0	0	7205	7186	0	0	0	4673	2879	2676	0	0	0	0	2904	5216	3026	0	13102	0	0	2790	4264	0	2543	26038	27032	34158	0	0	0	0	0	0	0	0	8364	0	5132	0	15137	0	0	2002	3811	0	3245	8038	12319	4769	13014	11925	0	5116	0	3849	5325	0	5348	0	0	0	1970	0	0	0	2143	Organosulfur	0.23809524	1.1428572	0.0
16	C17 H24 O10	389.14423	389.14468	-0.111523375	389.14417	52270	44759	48835	45600	42738	45191	19279	38515	91206	94243	39872	23281	111345	42089	48696	28207	21059	97103	97295	89129	77203	68515	39459	34973	30516	92646	18272	36763	40426	35137	33482	38742	67986	44704	137953	43869	76212	29297	13239	69873	37438	39455	2410	2588	918	41374	20843	1785	41147	31616	50650	46154	50308	1090	200923	47649	31473	44718	65837	18693	28606	46436	95284	95010	23190	58786	42592	16169	85924	82718	66755	34379	36584	44462	18406	37019	1196	30205	26661	29443	19523	22765	26984	36293	34084	33958	24979	20799	38974	0	57845	96571	0	44084	57460	1287	48100	51452	33677	24822	21928	50621	20989	42315	10459	17843	33277	1729	16093	104757	Lipid	0.5882353	1.4117647	0.0
12	C17 H24 O10	389.14423	389.14468	-0.1665487	389.14417	110860	95232	106708	114532	79776	93054	98724	144988	140076	210302	128928	64704	178018	44360	120368	88304	76752	176320	173978	205008	204126	104852	134950	89212	77786	60728	65404	103898	124152	100304	140376	97916	189408	105012	294170	111176	113420	102854	77139	147234	115892	84248	5852	1760	950	89510	39804	1522	115048	99000	114038	126809	99748	0	313134	120794	69766	101580	173224	45600	112548	94600	198228	156262	46914	118784	116410	70620	62092	69906	187886	116402	127834	155704	71912	85760	0	124422	114026	0	87496	72854	88918	62826	90936	89394	94097	64406	83512	61904	76884	122248	112004	68436	113354	1232	123076	151268	91600	98724	77360	157084	82528	126592	0	119716	106048	1504	60240	198804	Lipid	0.5882353	1.4117647	0.0
8	C17 H24 O10	389.14423	389.1448	0.061033998	389.14426	7395	24799	16438	13679	0	7024	7599	1718	10261	17385	7045	9069	19835	2367	9317	13581	18474	11806	13691	11175	26330	22084	12325	34752	1376	14839	9272	8050	19434	24926	20199	12634	12273	8740	27575	24309	23387	12809	14034	7878	19606	5990	0	0	0	7356	14979	0	13027	18584	8344	10709	7563	0	16584	9144	11798	12509	10365	0	7753	12981	8191	14080	0	11776	7147	16159	12172	21420	22990	9991	13781	25108	25996	23331	0	13577	0	14261	10481	10011	6952	11855	5659	5270	0	7559	6245	2441	0	11783	24831	8505	5988	0	12915	4463	7728	9248	7745	14755	0	0	0	11131	5706	0	10796	27842	Lipid	0.5882353	1.4117647	0.0
8	C16 H24 O9 N2	389.15546	389.15598	-0.20429316	389.15536	21810	22589	12789	17339	9767	11977	11428	22683	18683	21616	8944	13725	18060	4524	23075	22748	26010	17925	24737	15229	13902	18687	18924	27300	10325	485	13713	3969	20414	20587	19768	21807	29561	22236	10931	26291	34580	17589	25534	15834	12478	15519	0	0	0	15842	11938	0	23108	21475	20145	15341	12889	0	20605	8838	10516	25701	12661	10467	22444	4603	20236	14896	10666	13558	15121	36600	4557	5471	6625	18350	15809	19152	24102	16464	0	16499	16675	0	9786	7618	12203	5359	11223	10398	18047	15159	17435	27107	0	28914	40051	6003	7119	0	16895	20522	9940	9550	8001	23759	14297	18853	33000	26940	9037	0	14975	22676	Lipid	0.5625	1.5	0.125
14	C16 H24 O9 N2	389.15546	389.15604	0.17267661	389.15552	4850	7623	6285	8468	3487	7984	6079	9843	5177	9537	3069	4308	10543	2977	11119	7896	0	6572	12953	9540	4775	0	9009	12468	7360	0	5433	0	11015	8728	8812	0	11727	8662	7833	11271	8874	5802	5153	0	0	6356	0	0	0	5050	0	0	9568	8213	8302	9118	13832	0	10934	6418	5345	9535	7434	0	0	0	6012	6666	8816	7109	4335	7185	0	0	2930	10743	9307	9930	30624	6171	0	4249	4605	0	4213	3321	4762	4622	7347	3762	5201	0	6803	0	11174	0	20158	0	3145	0	6070	9708	3259	3477	8222	11000	5937	9137	0	13360	8848	0	5902	10310	Lipid	0.5625	1.5	0.125
2	C16 H24 O9 N2	389.15546	389.15616	-0.11891238	389.1554	10259	8957	5615	6688	6292	24378	2882	7225	6643	2805	2067	5586	14917	3605	3917	1298	6328	9760	8957	2722	5200	7885	5151	6214	1564	0	0	0	9974	4580	7934	7372	13854	9512	4188	6829	11001	3117	6185	2934	1992	6376	0	0	0	2743	1232	0	8239	4427	5992	7856	7225	0	11144	4427	2618	8484	3225	2918	2147	1033	15695	9953	3228	12053	7722	8903	0	772	0	9129	8881	6117	839	6215	0	5531	3966	0	2740	0	1340	0	5494	2862	3668	9990	8381	7574	18501	14474	14440	1186	456	0	5835	6918	2826	5299	5151	6550	4731	4071	1133	8212	3681	0	2760	18254	Lipid	0.5625	1.5	0.125
6	C16 H24 O9 N2	389.15546	389.15604	-0.18291044	389.1554	24124	34263	20834	25402	17144	18558	16441	36930	23136	14202	9942	21978	26300	8030	31326	33796	32642	39567	30324	22389	26456	36920	23216	31173	14136	2532	12190	0	28144	26526	31627	37004	40232	33000	22060	34257	40636	23489	35284	8870	21576	22380	0	0	0	15344	22978	0	29848	26775	28872	27167	22164	0	35656	11584	15312	34976	26006	18075	35442	8779	34522	18718	14078	24779	27105	40392	3216	4090	3634	37097	23594	29711	13536	29366	0	22243	20816	8840	17955	11427	12145	2890	19380	12712	23724	23670	27150	35140	20844	33336	56811	10847	8106	0	29709	22516	10464	16078	12684	41017	20492	26742	0	39546	16994	0	14790	49028	Lipid	0.5625	1.5	0.125
16	C25 H24 O2 S1	389.15698	389.157	-0.5210979	389.15677	2006212	2255084	2148810	2053451	1628392	1169441	1340786	2032806	1786263	3493550	2254948	1309150	1844348	1009929	1582734	1990294	1537551	1847646	2162351	4041994	3954446	1965526	1828034	2244797	1341643	5273982	1186838	1912168	1641914	1709456	1846024	1830900	2041285	1472440	3742050	1751442	1913953	1449052	1819895	5770313	5609073	1150166	46361	13910	12242	1878996	1921929	13050	2109361	1904502	2181217	2166270	1512467	15045	1756134	1416300	1090810	2036793	1486142	1603797	2031037	1761434	1939324	1557220	911156	1764571	1245651	1611816	4309732	12616494	12768140	1988026	1761333	1833309	1580309	2014432	10138	1347245	2199064	1267766	1824533	1585929	1713557	2049490	1821555	1009954	1941500	1189985	1336316	2208890	1734806	1812047	2443576	1284336	1855170	22608	2170228	2080800	1514565	1522823	1509649	1718011	1240024	1862610	1035462	1883604	1362340	11564	1625202	2019221	Organosulfur	0.08	0.96	0.0
10	C25 H24 O2 S1	389.15698	389.1585	0.36777273	389.15714	0	0	0	0	0	0	0	0	0	0	5571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11193	0	0	5746	0	0	0	0	0	0	0	0	0	0	0	0	12161	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	320881	0	0	0	0	0	Organosulfur	0.08	0.96	0.0
6	C21 H24 O7	389.1595	389.16006	-0.20806034	389.1594	11970	10248	7049	10043	4078	5685	9764	12857	6126	10288	8144	7516	4757	5039	7663	10524	9714	6927	5820	21842	25692	11011	9419	14749	7278	18502	7453	6394	11435	11291	10003	11548	11508	7827	25846	10418	9781	7365	13074	9289	28692	6685	3542	1553	2600	9775	11697	2381	12028	10825	7933	9035	4488	2289	10314	7239	5484	8965	7580	11226	11183	7014	4904	6573	4561	5185	4484	15670	11118	10571	16937	8286	9380	9676	4384	12202	2412	7637	9476	0	11335	9876	10855	7383	4270	5044	9408	5618	7979	9218	4315	12172	7963	7452	7101	2663	9510	10596	5217	6267	5826	9833	10664	13297	7867	6724	4197	1565	7290	4095	Phytochemical	0.33333334	1.1428572	0.0
22	C21 H24 O7	389.1595	389.15988	-0.091745265	389.15945	486608	509881	415383	485894	464988	384936	190232	407665	499412	1049842	503912	213295	558842	294118	312988	332048	193670	657466	495916	1038796	942048	526856	348055	409171	307911	1013180	160044	487563	327861	300242	329209	307708	384378	313676	1160225	306508	449366	278386	200416	662958	432088	241303	19527	8088	6334	450743	362969	8470	343781	330368	455239	468293	354613	7302	518813	401925	241508	365391	311804	181646	342499	461570	614414	409633	192698	511271	320758	209670	837358	1611845	1182389	362123	274733	277223	165273	301017	6148	262043	394340	253239	357685	294336	254213	401441	459570	261745	361462	265684	298952	259518	391510	430249	482811	329458	490487	9679	426130	441832	347434	445501	380561	339755	238959	377077	278499	325263	346857	8687	268939	706576	Phytochemical	0.33333334	1.1428572	0.0
8	C21 H24 O7	389.1595	389.16	-0.20712213	389.1594	35455	35688	20895	34717	12841	14316	25636	34767	17288	71866	48392	24231	15652	12928	26810	37292	33408	15822	23828	76676	42291	68532	31598	42441	19660	67262	22282	20807	29525	34962	26607	36578	26074	25737	44062	32631	23609	26176	41555	80592	76236	17348	3337	2182	2503	36416	39162	2342	31762	34214	28586	32227	12631	2146	25816	17345	13062	29966	26726	34075	30328	24841	22662	16163	10056	13419	15007	36242	40736	83834	109858	31193	30919	33890	21008	36150	2070	24159	35536	17476	30546	27932	33437	50962	18617	13449	31451	13513	16214	39343	15995	22811	35726	24774	67234	3337	36476	34178	19569	19177	17036	27363	26218	41528	0	25717	15665	1872	27197	16518	Phytochemical	0.33333334	1.1428572	0.0
12	C21 H24 O7	389.1595	389.16	-0.13171938	389.15942	794513	838166	823647	740305	448134	324937	602373	911022	595780	1554623	659091	525208	535924	274175	621934	814203	694483	651251	619554	2159048	1921724	843930	638554	992313	468914	2162819	635341	613033	658527	651509	726913	693187	706908	523161	1812388	670435	627720	544199	750103	1469941	1196835	390116	16148	6384	6292	1268469	879584	7702	708530	736139	782506	750486	398460	6002	854900	500280	359723	750068	657555	725395	789925	632347	674343	432116	253439	461033	421440	771422	1126886	2530297	2719135	681461	568901	782051	633029	687590	5544	598298	705010	471285	731981	605556	528204	1019021	599152	393053	646559	320831	448807	966362	618659	699887	857779	555147	1227312	13326	778689	829034	510696	448921	493191	717420	541598	796810	516613	648475	488917	6400	537608	415188	Phytochemical	0.33333334	1.1428572	0.0
26	C21 H24 O7	389.1595	389.15988	-0.141941	389.15942	52675	57646	55772	52164	62238	40008	20203	46525	66779	90058	51894	30560	111723	41377	42523	48785	31091	72447	86749	102041	104823	54112	50388	51357	28945	114555	23733	51796	36955	42184	38468	28807	44955	40732	106156	38197	53617	28921	31553	75713	64962	31407	4712	0	0	44437	50928	0	44712	36142	51755	57254	49314	0	70451	54671	30554	51779	28660	27503	50880	47524	81451	57347	19666	77000	47847	29940	110033	151667	163858	43293	36521	32023	28450	37777	0	30697	53895	32576	51962	36308	30526	47709	71803	28849	51058	41225	36300	39802	47331	46533	60607	37029	61834	5125	52704	56551	49752	65452	76774	50692	26713	44856	32180	36728	43813	0	31151	83812	Phytochemical	0.33333334	1.1428572	0.0
14	C21 H24 O7	389.1595	389.15997	-0.09220536	389.15945	664732	621107	580719	628176	414993	297935	452405	627913	476122	851614	586790	415725	443945	252393	427385	586228	535657	430358	497974	2078502	2106490	609937	483612	653165	404307	2667958	419760	583159	460533	553323	503685	617252	581226	443043	934471	546957	511319	433358	540450	1457060	802129	329881	17350	4004	3787	528685	619579	4898	595230	572275	628802	570781	358576	4236	457035	366605	299765	654503	517293	552115	677798	453781	501910	419688	248411	420873	315929	557339	1193455	3056404	3388644	508574	493995	547406	459882	589453	3239	410102	654501	363009	600569	439677	512482	1105092	471783	275235	613468	325223	363407	730012	474573	453561	682398	392737	950630	8167	596415	574869	372839	461197	420486	498654	417135	666940	435613	506738	355719	4129	499755	433189	Phytochemical	0.33333334	1.1428572	0.0
10	C21 H24 O7	389.1595	389.15997	-0.20916992	389.1594	96087	96281	82458	81622	49756	40206	74173	115189	57986	214872	70281	69135	51904	38897	66860	99288	80636	51061	66437	242048	232942	92027	81991	112955	61866	294936	85187	69810	88361	89501	81792	87896	88342	66555	219006	96883	87921	74046	109825	190122	229982	46714	6225	3155	3136	84782	98569	4094	94565	93462	90417	108334	46020	2534	69515	50264	38245	105462	76791	90029	124368	57900	54267	55878	40786	52142	38294	112451	128132	335540	342962	79021	79395	94297	82296	97965	3027	60312	101444	52795	94547	146292	86494	137600	66111	41398	92656	37666	51882	105276	77247	67479	107113	122318	178146	5129	87297	93868	53520	53646	53453	86160	67422	106926	53696	72394	49061	3435	74221	55582	Phytochemical	0.33333334	1.1428572	0.0
28	C21 H24 O7	389.1595	389.15985	-0.15747617	389.15942	27817	25725	25094	26955	38249	21495	13166	24565	33110	45480	24498	11894	50023	24438	21837	27284	24580	41277	41969	51240	49838	25859	23552	28783	17843	51081	14768	29564	19801	19810	18264	19019	24145	18779	50308	23626	24380	14432	19837	32114	33204	18304	3814	2759	0	21982	27010	2968	20053	21927	28257	28130	25972	0	33625	28369	16184	28934	12367	14822	33153	17757	36651	26937	14534	42049	21076	21025	59293	76657	85790	20887	15666	20600	12892	17545	3321	15973	27505	19590	22619	17092	14783	22995	35686	19410	28453	16700	18149	24070	24305	26408	30950	21433	27621	2864	26757	27500	19972	36302	40028	25530	16889	25219	18134	22051	21534	2328	12944	35260	Phytochemical	0.33333334	1.1428572	0.0
6	C20 H24 O6 N2	389.17072	389.1713	-0.19958308	389.17062	53423	58127	50859	55495	25942	23740	29353	61921	26273	101666	44040	29455	34906	17728	38225	62353	40896	36466	46910	108454	116999	81908	37812	64988	35208	63391	28088	49003	46430	46143	47423	51829	63359	46998	115187	48644	54156	36828	51914	78898	83717	25655	0	0	0	73039	76850	0	61027	45087	55920	52317	27851	0	35648	21145	16682	56669	18990	30149	55646	47526	30811	31521	14072	38877	29461	59419	59462	116627	111453	42299	40246	40755	32160	38671	0	30706	38275	42480	32875	26466	28439	46831	22417	20678	41812	31422	30831	72901	69566	59074	86963	49749	94701	0	48022	53561	17388	18123	21977	53565	26316	68840	30711	52006	18149	0	35520	35008	Phytochemical	0.3	1.2	0.1
4	C20 H24 O6 N2	389.17072	389.17136	-0.2141651	389.17062	21025	19755	21832	21223	10614	10833	10725	21864	12060	31527	16499	12829	20146	10657	17775	20588	21942	16018	19555	41249	50092	36201	17475	27068	13378	29712	11187	17875	18741	12846	15290	15895	23686	13936	46670	18730	21186	14700	27018	30464	34214	11443	0	0	0	23672	28626	0	20233	21204	21111	19514	12579	0	19681	11639	7886	19540	8293	14238	20189	21817	13407	14150	6428	14841	10592	23022	27201	38430	41400	15782	14285	16626	13748	14816	0	13623	20242	24725	15143	14247	12729	18128	12689	9483	20116	10505	13533	28564	31256	27707	36271	23073	37537	0	18762	23130	9517	11215	11762	19967	10793	30032	18022	17450	9467	0	14968	14694	Phytochemical	0.3	1.2	0.1
22	C20 H24 O6 N2	389.17072	389.1711	-0.14396538	389.17065	15452	15670	15146	18700	16305	10887	21209	18916	11662	11249	18990	12971	3607	9350	38483	25569	13446	13846	13909	13745	21679	21136	23198	23425	44513	34660	14882	28915	13213	22042	18424	14751	17676	14651	16257	20182	14294	32955	11964	27343	23810	15675	0	0	0	12456	16713	0	16099	17880	24324	18923	12801	257	11976	12753	21704	22157	10045	10098	18293	12362	9371	9142	16458	16076	17495	11812	38106	32268	52895	10421	13983	10636	7499	13384	0	13229	21500	12506	26600	10048	9673	13242	19654	34202	43690	16156	5709	18086	22718	18465	38309	14139	18489	0	19262	18443	29443	12795	12073	24109	20239	13292	9310	22528	16976	0	41767	12316	Phytochemical	0.3	1.2	0.1
24	C25 H24 O4	389.17474	389.17514	-0.065388635	389.1747	7245	9309	5512	7747	7709	4190	2201	5871	6148	7343	17202	3053	5111	4147	4383	6367	6873	3951	7455	8368	6902	4872	5840	7571	5396	52201	2650	13440	4049	6618	4090	4100	4831	3172	6813	5137	8056	4400	5025	12941	20076	4848	0	0	0	7080	10166	0	4174	6178	7623	8040	7502	0	6234	5882	6393	3567	3346	6513	6161	5625	3590	4407	4220	9907	14468	5696	50386	28262	38586	3675	4051	1950	3598	4191	0	3750	8598	6708	6244	9317	5107	10473	6744	5381	6526	4571	4493	6720	5282	6204	6444	7686	7310	0	4075	9241	5640	5845	4504	6422	3980	8453	6154	6877	7776	0	6789	3533	Phytochemical	0.16	0.96	0.0
16	C18 H28 O9	389.1806	389.18097	-0.21129918	389.1805	9445	11490	13915	13075	7716	9331	12439	14633	12449	0	0	5672	11965	8786	14533	8439	4900	9045	16188	10523	0	8149	8992	12626	11199	0	8092	7452	19476	14338	12640	15384	19459	15874	7021	20974	17705	9434	6554	6182	1894	9417	946	0	0	7661	0	0	18952	11308	7731	10792	10358	0	23623	10639	5954	13733	14521	0	13906	0	14210	9420	10774	11422	8551	0	0	3547	0	11120	12854	22446	8359	14168	0	10127	8122	0	7342	4062	10452	0	7443	11778	7553	5903	10134	0	11091	10549	0	0	5613	0	12127	9633	8621	5062	8295	18654	9477	11723	0	0	8006	0	7738	15916	Lipid	0.5	1.5555556	0.0
14	C18 H28 O9	389.1806	389.18103	-0.23851585	389.1805	6624	9420	9392	10758	5747	7245	14413	21561	7321	0	0	5092	9255	7775	11686	17446	6836	6294	14444	0	4737	10169	8150	10507	9428	0	9411	0	24084	14695	15027	21320	17777	11225	7336	25225	16657	9203	6752	0	0	6508	0	0	728	0	0	0	14882	11251	0	7851	7563	0	15814	6108	4602	11670	8579	0	0	0	12126	8897	7735	6992	11362	7249	0	0	0	14998	10736	19146	5461	11775	573	9140	10169	0	5785	4241	11471	6555	5399	6863	7530	5211	6054	0	11752	7392	13924	0	2896	0	8348	8091	4715	6900	5964	19991	9278	9189	0	9424	6752	0	9145	10571	Lipid	0.5	1.5555556	0.0
8	C19 H24 O5 N4	389.18195	389.18237	-0.40051925	389.1818	11340	11237	11062	12137	4950	8053	5987	14165	3617	24368	15325	6092	3994	0	3400	12321	8713	5435	12604	28404	27566	8312	6652	15751	9251	17841	6715	12271	8564	3876	10172	9794	6310	10640	27012	14073	8271	3656	9578	19514	16406	5943	0	0	0	14599	10991	0	12732	12406	15775	12198	5792	0	9685	3022	2875	11273	0	6289	0	11421	4442	5006	2239	6775	6164	11524	11536	25043	29699	10720	4060	10665	22748	10060	0	6946	8544	22844	8512	7882	5788	12274	2073	0	7462	5448	3113	25674	26798	0	0	11611	19211	0	13997	12392	4738	2965	0	11831	7736	15444	0	15103	0	0	10743	8484	Peptide	0.2631579	1.2631578	0.21052632
18	C19 H29 O3 N2 S1 Na1	389.18692	389.1873	-0.30313236	389.18683	4461	5602	3452	5759	2209	3376	2262	4772	3493	7586	6254	2817	2888	1554	2940	6266	3031	2483	3823	6608	11367	3355	3213	5479	2100	15582	5068	3425	0	3817	4471	3214	4668	0	0	4406	4611	2826	3199	6945	4640	0	0	0	0	3218	3599	0	2905	6062	5210	7926	3812	0	2318	2838	2943	5665	1458	4061	5540	4235	3926	1620	3158	4794	3508	5034	12913	12689	25793	2180	2614	3991	3623	0	0	2141	6272	2475	2890	3465	4472	5845	4129	2292	8162	2550	1568	4636	4581	4917	3110	1739	4088	0	4235	5026	1983	2881	1941	6178	2970	5315	0	3065	4311	0	3111	3771	Organosulfur	0.15789473	1.5263158	0.10526316
20	C19 H29 O3 N2 S1 Na1	389.18692	389.18726	-0.20589212	389.18686	4680	8501	5826	6582	5235	2401	3775	8034	4512	7115	7552	3552	8041	0	3333	3852	5834	5332	3514	6827	17038	7471	3047	6996	4016	20391	3065	5529	5129	5920	6429	3424	6295	6264	13470	5565	4141	2623	4483	9472	11665	4915	0	0	0	5583	5158	0	4431	4190	3936	6245	2772	0	4788	4254	3329	4395	3816	4134	7519	4742	8567	5023	1453	5010	3502	4437	19788	26522	33335	4242	7165	7902	5209	4200	0	3383	5555	3074	6971	3424	3937	0	5594	2728	4280	3641	3807	4399	8510	6633	6496	3974	4288	0	5932	3981	4693	6143	3226	8233	4415	8731	2636	2963	4536	0	4288	4828	Organosulfur	0.15789473	1.5263158	0.10526316
22	C19 H29 O3 N2 S1 Na1	389.18692	389.18726	-0.19255851	389.18686	3519	4015	2606	5841	4587	4633	2042	2068	3743	8059	6913	2676	0	6035	2974	6866	2199	7669	4007	9318	10584	6262	3299	5686	3854	20077	0	4432	3626	3117	2310	0	3033	3491	7440	1230	5562	1772	1715	6796	3490	3048	0	0	0	3806	3846	0	4266	4508	4297	4661	3116	0	4249	5531	1821	3898	4062	2882	2846	4355	2643	3007	1973	5633	3251	3353	12447	24968	21470	4874	3205	3208	2708	2892	0	3227	6061	0	2892	1949	4950	3716	2678	2774	3049	1671	2486	2398	5078	5024	2595	3166	6240	0	5236	4878	2051	2722	3050	4299	2251	3494	0	5669	3281	0	3107	6802	Organosulfur	0.15789473	1.5263158	0.10526316
18	C22 H28 O6	389.19586	389.1963	-0.14081755	389.1958	1171355	1151313	1102283	1033827	962920	674081	809192	1032558	793786	1308825	1046204	747262	950438	603498	805477	1211559	1161627	901837	1264655	1704442	1686418	959681	857701	1167453	701723	2400196	790714	947070	948078	955084	931372	999750	1171109	884248	1275160	973331	1132259	788444	1312442	1068935	1243409	704089	24632	4574	3556	769242	776406	5667	1171093	914213	1116791	1087320	837507	6651	987675	852904	651711	1246286	670855	886198	1031046	716204	1005000	794417	541970	963388	767846	1350148	1943259	2424232	2962392	793762	767987	937109	1177489	1038096	3164	653051	1183654	679230	980005	641411	792413	830424	1060535	688247	1146543	748535	798004	1341103	1002889	1059185	1243321	609879	869556	8620	1133130	1046862	752712	962362	976546	1162059	679009	1071735	445493	861684	740912	4537	883501	910243	Phytochemical	0.27272728	1.2727273	0.0
12	C22 H28 O6	389.19586	389.19635	-0.22015883	389.19577	95744	79581	89092	93492	33632	31849	89268	89453	47497	63637	65074	54111	33706	24058	59491	117221	110641	31237	55367	91542	64541	93822	55140	94249	54459	72501	111154	51645	75012	93240	57687	88531	64415	43373	55259	84084	64678	59799	107744	47259	78420	36876	2911	1978	2177	59714	86455	2789	92449	104730	90156	98153	36848	1771	45877	48703	34932	98114	55836	88437	109905	30447	45273	42044	28766	39191	35336	119737	83340	74141	88051	53307	59848	86179	114664	83831	1750	55296	86114	38964	70401	55172	69990	39767	63007	40014	88077	32162	40556	146069	76787	85476	89835	60472	81240	3081	86661	92893	44656	55748	58994	88194	50345	87412	39292	68812	46919	1802	66819	38358	Phytochemical	0.27272728	1.2727273	0.0
28	C22 H28 O6	389.19586	389.19623	-0.19702229	389.1958	38348	35375	29465	33149	40895	25107	21582	32211	33697	46044	29755	18318	52196	26789	24265	42406	34807	40334	49717	52113	58651	32862	32879	39058	23363	63726	21565	34285	36941	36651	33934	35550	41916	35350	58043	40268	40296	20338	33404	31811	35161	29175	3613	2915	4245	27579	24417	3850	33966	35205	33821	32137	32736	4121	38012	34354	18649	40160	24361	18338	42362	18777	40520	26461	20193	47089	32624	35295	63370	84465	95669	24901	25470	33352	25765	27740	0	20546	38947	22364	27578	18663	23998	23178	39585	21308	40703	21136	27183	36165	40963	39131	44440	21465	32659	3610	34205	30768	20743	40674	46155	39574	21188	40652	20610	34517	26657	2747	21806	39029	Phytochemical	0.27272728	1.2727273	0.0
10	C22 H28 O6	389.19586	389.19632	-0.25139552	389.19577	29423	21181	20242	19515	10051	12805	16562	27487	13022	14694	12732	16108	8797	8809	18862	34690	27133	9374	14603	20628	20023	24272	19632	24324	17026	17232	22456	10966	18145	26659	14935	21878	25671	13184	18159	26535	22497	19704	35884	14933	19729	13137	3618	1723	2254	23029	17464	2635	23997	27054	18926	20734	12435	1730	15792	12625	10116	25053	15583	22346	24751	10772	12031	13800	8526	11750	11265	34568	21197	21602	20968	17282	18424	25883	29868	24943	2563	18536	27570	17072	22712	17363	24159	13383	15850	9487	20665	7977	11575	37268	16716	20244	25992	11255	21594	3308	17164	24385	13046	17421	17898	17266	21536	25895	16061	17900	10315	2077	24266	8791	Phytochemical	0.27272728	1.2727273	0.0
26	C22 H28 O6	389.19586	389.1963	-0.0997806	389.19583	136266	122908	120015	114129	134047	95882	55790	128254	116115	177350	121528	74331	192792	92709	97825	134500	90298	166336	201513	234578	230416	132758	102060	136910	95206	235302	51242	123011	121263	121680	116477	114629	134311	113058	216001	132150	166764	83106	96208	155221	121229	87081	10803	0	0	114459	84578	5922	122474	104080	125295	123259	102634	0	154446	138693	69924	135332	99288	56890	132666	93696	156246	120395	54644	146169	101647	99218	220311	323908	309667	108289	103584	112015	95889	112956	0	81909	126376	72014	95379	62351	88645	98886	134645	76011	125598	83769	90996	108698	131430	117003	189750	82011	115281	6048	127976	135966	80996	130851	140488	144058	72899	133137	79270	100580	91409	5565	87881	155074	Phytochemical	0.27272728	1.2727273	0.0
22	C22 H28 O6	389.19586	389.19626	-0.10269232	389.19583	1291195	1381083	1191808	1250479	1166872	952864	716966	1217445	1148040	2295273	1376730	704228	1112136	757767	941799	1225456	894720	1373857	1354828	2591388	2626676	1300696	972201	1229293	975842	2934628	630822	1314944	1217478	1037356	1008399	1103962	1405969	1114338	2432568	1158363	1468271	829990	927420	1630465	1280694	753806	39419	12169	7371	1070634	933707	10533	1212435	1039089	1336299	1263315	1000284	10144	1283425	1008478	692900	1305759	925354	661911	1187463	1116049	1256151	1012234	535715	1179995	914968	934465	2376977	3860374	3506146	1118595	976534	1039964	835423	1066124	6859	814194	1116875	715849	896426	718297	822584	1048192	1102410	779116	1095343	823039	938521	1025459	1341360	1383139	1451663	872156	1294455	16556	1154703	1322505	845514	1072790	911928	1364226	734356	1314941	766088	1088296	888236	12291	833572	1410769	Phytochemical	0.27272728	1.2727273	0.0
24	C22 H28 O6	389.19586	389.19626	-0.11190726	389.19583	565978	576559	529632	553121	531094	410338	254411	474857	515441	964989	566306	269973	713166	325820	417767	492087	381541	659558	788324	1140181	1060207	577034	423101	568745	357972	1107720	218050	612543	475689	448723	430505	474303	629933	458523	1161831	481513	758621	306943	413502	722425	527348	315822	21613	7339	11287	505269	354590	8787	520249	384787	555437	530697	419367	8767	590924	431051	265987	521658	429263	221620	529603	483549	591324	442913	199548	595833	407730	356365	947338	1578446	1340263	499351	440790	426188	349250	448274	9558	349590	458960	276947	381187	315164	320990	437881	481473	313610	462627	311896	397397	450695	520390	572371	699377	371136	554312	9537	548901	557295	342398	434051	446668	601249	281029	585361	345162	462208	335203	8633	310502	667039	Phytochemical	0.27272728	1.2727273	0.0
20	C22 H28 O6	389.19586	389.1963	-0.09897275	389.19583	1613019	1708175	1653582	1520750	1481835	1051161	938387	1411068	1322111	2475041	1594762	1010656	1480427	958039	1237444	1657302	1325489	1504425	1908764	3075474	3180455	1489980	1100571	1524882	1023054	3780476	999187	1570000	1446236	1288766	1167058	1346133	1609204	1257329	2546989	1352316	1661852	1005786	1451296	1880596	1837292	1031626	32155	9903	4823	1208399	1217274	10574	1509132	1169536	1623152	1661385	1207089	9733	1382536	1216210	875992	1606548	1132759	1137732	1457558	1196245	1405141	1253781	725820	1415960	1038124	1407116	2982378	4480533	4686185	1265887	1250283	1306357	1415503	1331016	4257	1031219	1490708	1005779	1185488	781365	1173930	1314725	1398620	937612	1508248	1106151	1127611	1516904	1596365	1503546	1795159	1025996	1281428	15014	1634594	1599684	1084521	1359080	1314948	1628301	989342	1637797	845462	1338636	1156715	9032	1106242	1608950	Phytochemical	0.27272728	1.2727273	0.0
28	C19 H32 O6 S1	389.19925	389.19943	-0.021556616	389.19922	1496	1744	2427	930	0	0	0	0	0	1657	0	0	0	0	0	2148	0	0	0	2282	0	1263	0	0	0	0	1518	5514	0	0	1300	1790	2152	1630	0	0	0	0	1302	0	0	0	0	0	0	0	0	0	1832	0	1578	0	1298	0	0	0	0	3228	0	0	0	0	772	0	0	1364	1534	2336	0	0	0	0	0	0	0	0	0	0	1114	4401	0	7046	1166	0	0	0	2096	0	0	4491	26432	26169	0	1062	0	0	1424	0	0	0	0	0	0	2086	0	0	0	0	0	0	Organosulfur	0.31578946	1.6842105	0.0
8	C16 H28 O7 N4	389.20306	389.20358	-0.034538355	389.20306	0	0	0	0	0	869	0	998	0	1410	2328	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7387	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	895	0	0	0	0	0	0	0	27296	0	0	0	0	0	0	0	0	0	0	56074	33605	0	4669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4375	1.75	0.25
6	C16 H28 O7 N4	389.20306	389.2036	-0.11798301	389.20303	4355	4296	4052	4241	0	3025	0	1520	450	0	7076	0	613	0	955	2211	2703	0	1081	0	0	847	659	2241	0	0	0	28540	0	1188	1428	0	5609	0	1457	0	4866	1268	3738	0	0	0	0	0	0	0	0	0	2228	1605	6443	4113	0	0	0	0	0	1278	0	0	0	0	0	0	0	2335	0	4604	0	0	0	1014	0	0	0	1074	0	715	605	136499	475	0	0	0	0	0	1849	0	0	0	337912	116161	0	27556	4812	0	5691	4437	0	0	0	4444	984	0	0	2794	0	0	835	0	Peptide	0.4375	1.75	0.25
4	C16 H28 O7 N4	389.20306	389.2038	-0.025625197	389.20306	5548	7228	6076	5573	397	5651	761	807	584	1832	6506	466	960	0	1796	2195	1779	1151	671	0	0	1419	1357	1381	1180	0	1234	38172	894	0	833	1045	2327	0	0	974	2954	855	2256	0	0	1194	0	0	0	0	0	0	0	0	5853	6130	518	0	487	546	0	1587	0	0	1599	0	778	380	0	1079	344	1028	0	0	0	697	467	777	0	454	0	703	1538	499662	474	0	0	0	455	776	2645	748	457	1495	511392	169389	1973	49172	7501	0	5963	6448	780	377	706	998	904	0	0	1299	591	0	743	855	Peptide	0.4375	1.75	0.25
2	C16 H28 O7 N4	389.20306	389.2037	-0.22610068	389.203	17953	17235	12658	15064	3208	55204	2316	5788	2148	3024	26763	3548	3870	1652	3346	1795	5506	7931	3903	482	678	4954	3390	6589	2320	0	0	216518	7118	2059	5202	4147	12351	5608	1706	3586	8847	4632	8415	0	0	7753	0	0	0	1178	1344	0	3989	1929	18861	16677	4803	0	2235	1242	1559	7705	0	0	2119	0	3006	1433	0	7367	4109	5748	0	833	0	6254	4543	2160	0	2716	0	3091	3487	1442620	3021	0	0	246	2164	2804	5111	6874	4354	9383	537743	287106	10419	158027	1652	0	16570	17253	3426	1223	2241	5811	3730	1292	0	5967	2356	0	2921	6326	Peptide	0.4375	1.75	0.25
0	C16 H28 O7 N4	389.20306	389.2038	-0.21575953	389.203	5217	5530	4609	5043	4473	27823	0	5581	5001	0	2376	2587	9689	0	1738	0	1885	19844	5971	0	1528	2894	2393	4689	2691	0	0	21408	12171	1708	6638	5591	15235	13297	2484	6693	13313	1983	2785	0	0	11519	0	0	0	0	0	0	5713	1542	5153	4737	7315	0	2784	1333	0	4947	0	0	2546	0	4902	3417	2142	9066	15049	2821	0	0	0	11444	11303	3742	0	2546	0	2597	1043	68168	1076	0	0	0	1621	1478	1751	9178	5925	2993	30436	9653	7198	9493	0	0	3764	3695	3573	1167	0	4851	4936	0	0	5451	3311	0	1365	17703	Peptide	0.4375	1.75	0.25
10	C21 H28 O5 N2	389.2071	389.20758	-0.23808144	389.207	24672	22168	24470	21419	8921	14003	13257	32863	5705	42830	25045	11436	4952	5630	12409	28213	22076	8812	14526	54463	50383	30872	16542	34592	23226	26444	12903	20952	32251	28153	21337	28566	36105	27737	50565	26403	30082	12333	18329	37507	21150	11822	0	0	0	27700	24312	0	33391	23270	22961	27197	11546	0	7375	5415	4821	33897	0	6216	33808	16578	6641	8053	5990	9236	15865	29833	19528	51954	34452	26196	22448	25945	20274	18515	0	17282	18119	19288	12391	7367	3886	19541	3391	5178	14392	15641	13246	31169	53968	18301	46795	21484	35970	0	26448	23768	6452	3673	4545	28684	12386	25453	0	29033	6012	0	18438	6093	Lipid	0.23809524	1.3333334	0.0952381
4	C21 H28 O5 N2	389.2071	389.20773	-0.21699245	389.207	8042	8465	8667	7382	1637	2493	5396	12843	1893	8501	3744	4816	2267	1758	7945	13980	11373	3428	4429	11313	12417	11479	7188	11754	8056	6184	5426	4408	11086	9248	10722	9674	10736	6518	14235	9899	9850	6968	11394	8719	6461	4050	0	0	0	6966	7959	0	14402	10789	6569	8541	3532	0	4303	1723	1989	12488	787	1448	13145	6940	1824	2766	2032	2195	4390	14926	5619	7506	7277	9694	7276	11129	10653	7661	0	6248	8576	6902	7926	1694	3212	6326	986	3084	7549	4323	4255	21195	15922	7909	22703	7096	15049	0	8625	10225	1777	705	652	10562	5448	9704	3739	10816	1489	0	7653	2648	Lipid	0.23809524	1.3333334	0.0952381
18	C21 H28 O5 N2	389.2071	389.20746	-0.31613743	389.20697	22442	19424	16666	22884	8443	8890	18563	21960	6472	19078	14990	11982	4742	4404	17679	27044	23678	6344	9670	29563	28918	24010	12288	24980	13014	20713	15025	13886	22088	18556	21639	27156	24264	19495	25028	19459	23980	11946	24000	25161	33539	13483	280	0	0	17378	17277	0	28489	19144	18551	18615	8285	0	6032	4183	5496	27025	14151	18684	21254	16736	2610	4949	6435	4509	13410	30757	17158	25714	29222	23410	13913	15365	17392	22442	0	11531	12025	17720	14499	13005	15108	12081	3501	4663	19237	16846	12732	31586	44743	34942	46751	19338	30205	0	19160	19043	7938	3093	2231	28447	13062	25521	5539	26770	4293	0	18880	3234	Lipid	0.23809524	1.3333334	0.0952381
14	C21 H28 O5 N2	389.2071	389.20752	-0.28761184	389.207	15422	16361	22946	15782	5431	7469	11670	18401	6646	30725	14391	13087	3722	5941	9627	22836	18524	6272	6607	33657	34476	22276	11705	20008	16220	25613	11600	16591	21393	18809	14892	23902	24024	17766	28704	19909	23050	13125	20416	34574	32718	12907	0	0	0	20473	18039	0	24677	19875	18964	18789	9975	0	3892	1859	4425	20265	6387	14714	20090	11468	2968	3272	4945	4218	7833	23748	17101	39529	31778	18472	16533	15530	15653	21084	0	11605	14034	0	13082	9474	11566	20103	3046	4196	13033	14428	10399	37639	38153	16758	37031	15132	28291	0	16095	16789	2345	4186	2348	26618	11844	25094	0	26955	3428	0	17105	4945	Lipid	0.23809524	1.3333334	0.0952381
8	C21 H28 O5 N2	389.2071	389.2076	-0.23258357	389.207	25981	25433	19291	23145	7776	9619	10378	26766	6596	34793	18603	12728	8819	7310	13085	31157	18579	11089	14881	52892	50649	31026	15709	30525	18845	24191	12282	22658	24538	19216	20508	27356	27493	20211	45427	24457	28094	12889	20783	43314	22012	10468	0	0	0	25165	20209	0	28635	21590	22268	23750	11151	0	7247	3488	5487	25248	0	5358	26459	18102	7576	9560	4149	6433	11384	26291	12244	46241	35792	22008	19692	18433	18581	18869	0	14233	14823	16943	12057	4486	4774	23054	4328	4405	17960	11699	12793	36455	29928	28301	49580	22361	36633	0	20107	21984	4095	3255	3999	26448	12595	24433	8100	25085	3724	0	17162	8039	Lipid	0.23809524	1.3333334	0.0952381
18	C18 H32 O5 N2 S1	389.21048	389.21085	-0.26193145	389.21036	3461	4496	3926	3329	0	0	0	6747	0	0	0	2627	0	0	3836	27376	1577	0	0	0	0	18114	18574	43997	2566	0	0	0	0	1565	1785	0	0	0	0	0	0	1546	2138	0	0	0	0	0	0	3882	1167	0	0	0	4069	2855	0	0	0	0	1164	20601	0	0	21754	0	0	0	0	0	0	2330	1258	0	1809	0	0	0	1840	0	0	1603	17414	2233	18038	0	0	0	1279	0	2702	0	0	153567	0	0	58032	0	0	0	4767	2724	0	0	0	0	0	0	0	10598	0	0	18221	0	Organosulfur	0.2777778	1.7777778	0.11111111
24	C26 H28 O3	389.21112	389.21152	-0.119550444	389.21106	10284	11956	11251	8744	5983	4337	6265	8174	4678	1795	10847	5664	3897	5311	6778	13653	11203	3020	7988	10992	7564	7287	7839	9249	8449	29795	3488	8965	5365	9507	7666	9506	6830	7516	6720	9381	9023	6055	14725	8277	9984	6984	0	0	0	5637	5172	0	8592	7820	6585	7010	7655	0	3707	4618	7412	10411	5434	7469	9192	4264	4642	6317	2936	7823	10975	10584	21064	14188	27528	5581	6635	8933	8270	11246	0	6572	10196	4091	10097	8187	6713	5869	7788	3286	12021	6303	8648	17763	5792	5066	14422	4902	5116	0	8614	9240	5082	7930	7226	9944	6016	11305	4227	8493	5442	0	8109	2719	Phytochemical	0.115384616	1.0769231	0.0
26	C26 H28 O3	389.21112	389.21143	-0.16870473	389.21106	7672	7790	5791	6171	6762	3175	3072	10047	4686	2711	10449	4857	0	2041	0	8172	0	0	7303	7516	4833	6316	5034	7410	7914	23950	3569	9400	6199	7578	6986	8527	8330	5412	5433	7040	5896	3103	8255	6212	8178	0	0	0	0	5729	7287	0	4880	7605	6119	7024	5179	0	0	0	6116	8033	3887	5011	6732	3769	0	2805	2455	4981	8543	8907	29279	14583	23198	5257	5271	0	0	6587	0	6957	8450	5615	7034	8001	5619	7264	0	0	11574	3934	5624	7369	4760	4190	6932	8655	0	0	8389	0	6436	6223	6042	9365	5078	9080	0	6325	6715	0	8383	2446	Phytochemical	0.115384616	1.0769231	0.0
10	C20 H28 O4 N4	389.21832	389.2186	-0.40624434	389.21817	0	1654	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1235	0	0	0	0	0	0	0	0	0	0	12035	0	1122	0	0	0	908	0	0	1600	0	0	0	0	0	0	0	0	0	0	0	0	0	2666	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2331	0	0	0	0	0	0	0	0	0	0	0	110501	0	0	0	0	0	0	0	0	0	1497	42670	24729	1664	5316	0	0	2055	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2	1.4	0.2
26	C20 H28 O4 N4	389.21832	389.21893	0.12250439	389.21838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3715	0	0	0	0	0	0	0	16977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20894	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33580	0	0	0	0	0	16555	0	0	0	Peptide	0.2	1.4	0.2
22	C20 H33 O2 N2 S1 Na1	389.22333	389.22366	-0.24827108	389.22324	7063	7209	8461	6110	7443	3607	3645	4105	3535	9304	9623	3337	2493	0	3495	12169	6889	5423	4872	18112	10044	4920	3989	8073	4902	21196	5769	7934	5889	6293	3908	6165	5444	5525	11365	5042	6335	3504	9538	7294	6618	3817	0	0	0	5651	3447	0	4655	4164	6007	4406	6730	0	5003	6679	2724	5059	2958	4239	10493	5121	3445	3604	2644	4245	3554	8762	16527	18286	29662	3053	5216	4394	5842	5599	0	3365	5976	3419	4965	3586	2831	5288	4697	3632	7529	1847	5416	6127	5753	4121	4637	5040	4643	0	5712	7562	3572	5892	4447	5087	2903	7460	2498	5556	5311	0	3259	5585	Organosulfur	0.1	1.65	0.1
24	C27 H32 S1	389.22974	389.2301	0.046241567	389.22977	0	0	0	2123	2020	0	0	3059	0	0	0	0	0	0	22591	2612	0	0	0	0	0	2394	0	0	4276	0	5425	0	0	0	0	0	1724	0	3699	0	1908	28063	0	0	0	31901	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5032	0	1494	1928	0	0	2092	0	0	2216	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1829	0	0	0	0	0	0	0	1184	0	0	0	3180	0	0	0	1409	0	0	1080	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.1851852	0.0
14	C23 H32 O5	389.23224	389.23267	-0.2602045	389.23215	12399	9002	9727	7764	5526	5065	17008	11738	7496	4530	5210	10749	2330	4047	8998	10592	21207	4828	7509	6445	4175	5580	6090	5953	8207	3965	15120	0	7577	8784	8157	10612	9337	3572	3247	11761	7026	8550	22867	4245	6720	3749	0	319	406	5023	4020	512	6324	8158	9732	6469	6940	238	6765	10813	8532	11341	0	9271	0	2482	4454	8094	6199	2696	5452	23711	0	7121	10443	6184	5854	7892	15648	12238	413	8230	19499	0	14279	4872	13519	4856	11762	6835	21401	1778	5034	31359	10522	7522	15009	4823	3947	525	10784	7489	6689	20516	25438	10945	8002	7630	0	10177	10638	0	18324	3229	Lipid	0.2173913	1.3913044	0.0
26	C23 H32 O5	389.23224	389.23267	-0.12514268	389.2322	348970	328894	324390	331672	364141	209661	205234	301158	345523	421597	466296	151306	372499	247615	265062	297473	220243	388716	640402	670719	590475	377803	197371	280280	288429	780929	192196	522739	363369	325373	299079	332768	452008	264385	644173	388643	461708	235914	231075	427318	353723	255751	18234	15093	19621	284298	209708	17389	322469	245658	340875	330394	286866	18435	395551	368168	199619	374691	318836	167306	331128	295856	331197	294745	161876	358151	322432	265705	661657	831266	751741	245302	256813	334745	198805	325272	14844	218630	293568	283427	198551	215664	310131	338224	356833	247448	357515	221015	301505	260411	389105	431300	360754	313616	383337	17614	333172	355329	237361	403636	384191	457446	180797	401961	260277	264657	293172	15213	250866	308991	Lipid	0.2173913	1.3913044	0.0
28	C23 H32 O5	389.23224	389.23264	-0.19976167	389.23218	41666	44123	44637	42107	44463	28118	44357	40773	41194	42805	41477	24457	48823	33702	32067	41495	39321	41971	66185	52946	52876	44334	32714	38740	44422	81136	40262	50961	49993	43422	43021	45490	57882	32528	56838	56274	47925	30479	40333	39628	38733	34289	8286	5467	7349	34270	26680	7994	42547	36685	38681	40919	43868	7538	47838	49024	28101	53418	44819	25576	41846	33329	42839	37047	29226	53479	46636	47528	62854	75068	83884	28002	30226	47379	25458	37279	8190	28684	46688	34625	28819	28502	44178	39164	50112	27029	59538	29383	36655	51290	47334	56259	52222	42121	38772	6951	41657	42311	26699	62993	61129	59755	27707	52779	36006	46458	37534	6145	36175	36064	Lipid	0.2173913	1.3913044	0.0
24	C23 H32 O5	389.23224	389.2326	-0.1560008	389.23218	800359	792254	795935	817543	842845	527126	567322	616832	696581	1118398	1038578	402326	798597	549524	539756	794207	713179	837124	1275046	1504727	1488961	748890	478144	621277	553859	1987740	537622	1076367	703018	650979	535623	752964	910464	629714	1370999	761980	923754	446380	722695	948849	917803	503970	25624	9440	11950	586008	554370	11337	787039	514921	806773	781976	671568	11520	902175	737929	446360	828818	577387	436707	774793	601333	711941	657127	359473	841063	679375	707285	1528559	1988321	2098444	515187	579926	649839	583525	688647	9445	443926	690193	559402	476171	487811	649306	709672	847320	585895	811567	528375	723377	707397	888892	904235	825200	673298	907470	10838	784852	833151	508490	765637	843017	963994	415221	865121	472942	660791	625242	10720	522347	728664	Lipid	0.2173913	1.3913044	0.0
16	C23 H32 O5	389.23224	389.23267	-0.24358994	389.23215	33208	35568	32880	34199	21329	19436	50745	33174	30943	24132	23602	28935	19329	20263	29458	47189	67861	22279	36646	29019	23863	24355	34344	36686	32072	29213	46951	25463	34867	35897	30140	36358	40422	17829	20127	33856	25167	34205	83812	18192	27869	21272	1230	416	378	13442	26410	887	28647	34719	40034	35812	30421	385	37016	43854	29826	42736	18237	34953	34752	11066	27766	25732	23267	30276	26149	71913	27822	29960	45694	15678	19918	32331	58434	36180	0	25368	56131	20273	32830	19368	34543	22108	53551	34374	65297	21316	30264	93486	32604	31609	39602	20179	26012	699	31942	39943	28639	57176	66536	45552	23879	23580	12918	27975	44589	0	42970	22078	Lipid	0.2173913	1.3913044	0.0
22	C23 H32 O5	389.23224	389.2326	-0.18678075	389.23218	706549	717876	598647	699039	688535	440598	635377	560825	631458	791420	768295	389442	491454	484601	475599	774765	793678	656213	832738	1002205	1101170	717146	442752	562775	508075	1609540	693360	787691	629142	553385	436949	633350	757691	536662	911341	643201	695796	461448	800471	644081	743552	462019	19837	0	1494	402062	483723	5856	604166	497014	700669	648990	610250	4989	683274	678137	444385	747486	424900	448101	661972	428050	600734	533016	387562	649431	554153	798185	1247492	1534462	1822092	382227	445987	527888	643418	570853	1634	376408	684020	474089	455391	355157	569428	566414	817824	560003	794277	505348	551679	782541	702433	706649	659075	531554	830624	7425	589816	694512	524217	779978	731069	860766	405141	651037	363001	539243	627453	4195	534740	600380	Lipid	0.2173913	1.3913044	0.0
6	C17 H32 O6 N4	389.23947	389.2399	-0.2702674	389.23935	13513	14682	12046	13171	0	9204	7877	3361	0	0	4708	1313	0	0	943	3812	4636	634	0	0	0	717	0	2633	1085	0	5668	111924	778	2375	2346	885	22347	1064	0	0	21756	1281	3198	0	0	1255	0	0	0	0	0	0	4251	2193	13794	16362	0	0	0	0	502	3922	0	0	2379	0	0	0	1249	772	0	3314	0	0	0	2771	1014	0	1085	1549	0	1367	559	897955	557	0	0	0	0	3091	745	0	588	1832	834110	246591	1286	77671	6014	0	15139	10369	0	0	0	18251	1363	0	0	8114	0	0	534	0	Peptide	0.3529412	1.882353	0.23529412
2	C17 H32 O6 N4	389.23947	389.2401	-0.13167761	389.2394	6779	6917	6518	6911	411	36044	0	1439	319	1679	8453	0	652	433	783	611	854	1430	798	0	0	1216	464	1151	0	0	0	324233	1689	671	1129	1131	3796	548	0	1518	1417	453	1534	0	0	0	0	0	0	0	0	0	948	0	7488	4960	1234	0	0	0	0	2605	0	0	463	0	0	433	0	1022	0	637	0	0	0	618	514	0	317	587	0	850	687	888511	304	0	0	0	0	1081	941	1519	539	0	272676	155920	1218	55309	519	0	7814	6602	0	0	0	1403	728	0	0	1087	317	0	0	746	Peptide	0.3529412	1.882353	0.23529412
8	C17 H32 O6 N4	389.23947	389.23996	-0.14952533	389.2394	3845	4015	3160	4030	0	2315	0	0	0	0	1945	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38843	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2401	4081	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	301769	0	0	0	0	0	0	0	0	0	0	354546	120510	0	24251	2370	0	2569	2373	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.882353	0.23529412
4	C17 H32 O6 N4	389.23947	389.24002	-0.03469355	389.23944	9660	9320	9355	7436	0	7739	0	531	257	0	4197	402	321	0	320	1667	0	1330	0	0	0	1206	0	656	1039	0	0	111425	0	0	607	0	1575	0	0	0	1871	362	1691	0	0	1710	0	0	0	0	0	0	0	666	8464	7056	0	0	0	0	0	726	0	0	0	0	340	0	0	501	0	0	0	0	0	483	0	0	0	0	0	315	0	1102252	0	0	0	0	0	362	746	720	563	852	720310	269147	2929	52738	4759	0	7977	8165	804	0	0	0	539	0	0	709	0	0	0	274	Peptide	0.3529412	1.882353	0.23529412
0	C17 H32 O6 N4	389.23947	389.24002	-0.18065602	389.23938	1875	2150	2127	2196	0	15565	0	1456	1322	1021	6363	0	0	0	0	0	1095	0	0	0	0	0	0	0	0	0	0	70120	1303	0	0	0	2878	0	0	0	1511	843	986	0	0	3277	0	0	0	0	0	0	0	0	2947	2033	0	0	806	0	0	0	0	0	0	0	0	0	1153	0	0	0	0	0	0	0	0	0	0	0	0	0	1987	106861	0	0	0	0	0	0	2117	0	0	1171	259579	81732	0	6064	0	0	0	0	687	0	0	0	0	0	0	0	648	0	1364	0	Peptide	0.3529412	1.882353	0.23529412
2	C24 H36 O2 S1	389.2509	389.25122	-0.51415616	389.25067	0	0	0	1129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27875	0	0	0	0	0	0	0	0	0	0	10353	7513	0	14919	0	0	709	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.083333336	1.5	0.0
0	C24 H36 O2 S1	389.2509	389.25134	-0.65531045	389.2506	0	0	0	0	0	15063	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67449	0	0	0	0	548	0	0	0	0	0	0	0	0	2117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	276642	0	0	0	0	0	0	0	0	0	0	107092	12452	0	1406	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.083333336	1.5	0.0
20	C24 H36 O4	389.26865	389.269	-0.20051113	389.26855	14283	12268	12124	9332	6822	3817	26003	4655	9163	2645	6681	9167	3612	8967	9042	14962	56437	6355	9228	2543	0	4969	5565	9748	18389	7167	31041	5501	14022	12598	6447	14876	10344	6459	5533	12632	11951	10534	58574	1822	3571	8227	0	0	0	0	3246	0	12779	7174	11618	9706	10113	0	7591	12077	6423	13742	4002	8638	14349	1410	4494	6221	13633	5414	15160	66918	3631	2349	5059	3682	7296	16853	37190	12151	0	6581	23360	8365	8902	2770	12807	8369	16343	17203	32501	11388	12137	53210	10066	8441	12409	3468	1647	0	11903	11818	7966	16621	18920	17418	6523	5528	3134	8733	12713	0	17989	5172	Lipid	0.16666667	1.5	0.0
26	C24 H36 O4	389.26865	389.26904	-0.17105392	389.26855	159868	152719	161937	148354	148142	77638	322538	134372	135282	111844	216051	93690	111873	147038	123168	195371	298773	124901	232902	160157	134586	163708	90419	97881	185065	345317	334566	254760	170172	177824	120173	172849	199103	117325	160030	194214	185500	127137	309052	128683	172848	124593	4493	0	0	92164	113880	0	162053	124301	162481	153218	133936	0	177398	156511	109949	204956	118836	103133	177130	105107	125072	118989	121858	148572	226550	345230	231675	200539	234580	77978	111009	177684	147700	156924	0	85640	178236	199201	105369	131320	186987	176574	190147	163559	306006	120114	145338	381902	202670	206855	200776	157605	134360	0	154506	189168	119520	201502	235658	281599	78360	167805	129866	126483	158409	0	175971	93326	Lipid	0.16666667	1.5	0.0
10	C18 H36 O5 N4	389.27585	389.27576	-0.31334826	389.27573	0	0	1503	0	0	0	2630	0	0	0	0	5673	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39961	0	0	0	0	6427	12133	15999	0	0	3774	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1398	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5931	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	79713	7601	0	0	0	0	0	0	0	Peptide	0.2777778	2.0	0.22222222
22	C16 H36 O1 N8 S1	389.28055	389.281	0.37941408	389.2807	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4779	0	0	0	0	0	0	0	24253	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4172	10922	0	0	0	0	0	0	0	0	0	0	0	0	1559	5861	42109	0	0	0	0	0	15180	0	0	0	Organosulfur	0.0625	2.25	0.5
26	C25 H40 O3	389.30502	389.3054	-0.23141758	389.30493	28920	26631	28412	25551	6358	5284	154674	40957	3124	4520	20879	17094	0	31786	18140	44663	63795	0	7375	5444	5051	9979	11507	16194	35981	21335	158193	35382	55615	67049	30238	62399	24334	27586	6345	67393	26537	25074	76439	5277	15027	19065	0	0	0	8538	10008	0	58182	44714	31087	27071	26703	0	7007	6584	16110	55240	9825	24331	44256	5855	9506	2944	35677	18336	33089	80226	12847	6068	12456	11213	15332	28627	90803	36700	0	10818	40459	34052	15792	25467	24852	25888	7589	16351	170088	7866	26702	359458	43736	32508	25830	11017	5754	0	28214	32577	13338	5885	6463	36818	11333	27467	16970	15600	5782	0	44134	1847	Lipid	0.12	1.6	0.0
28	C25 H40 O3	389.30502	389.3054	-0.2361453	389.30493	11984	8836	8928	9390	4565	2841	93442	19553	5346	2349	15045	6501	0	9025	8747	14560	19798	2952	5685	4715	3276	4202	4406	6893	16616	12649	78411	20038	25587	24440	9702	22794	13410	10041	3611	25718	8528	11959	16178	3968	6350	10463	1723	2007	0	4583	4128	1539	17280	18403	11880	8609	10365	3895	6199	6025	6079	18086	7631	7443	16226	5646	3224	3618	10492	7779	17983	23041	9648	4720	2855	3977	9855	14870	13770	13553	4358	6232	16098	23588	8382	10285	11551	10082	8542	7527	56501	4609	9530	53895	16936	15339	10138	9496	3802	2499	9808	10381	5505	8287	9712	14494	6400	11365	15001	9786	6325	1761	12879	1966	Lipid	0.12	1.6	0.0
24	C25 H40 O3	389.30502	389.30533	-0.252668	389.30493	13386	13658	10959	14562	1090	1465	45407	19011	0	1246	2807	6593	0	7883	7796	28795	56940	0	1942	1644	0	2270	3941	4468	14317	1870	45630	9296	28788	37429	15274	29172	10609	9638	1616	28200	12415	9120	54153	1396	2522	9913	0	0	0	2304	2959	0	32694	24554	12639	10624	16737	0	0	0	5503	25537	0	6643	16227	0	2229	0	13535	3950	14775	69151	1385	0	2763	4364	7963	14049	59286	22250	0	3222	14573	6139	6577	5543	7992	7354	1774	4211	69710	3593	18571	234828	9134	7742	11506	2240	0	0	15676	12090	3088	0	0	18693	4896	7135	3483	9368	1373	0	17699	0	Lipid	0.12	1.6	0.0
22	C25 H40 O3	389.30502	389.30533	-0.16601036	389.30496	1990	0	2373	2997	0	0	4841	3142	0	0	0	1923	0	0	1271	4808	17581	0	0	0	0	0	0	0	3640	0	6122	0	5288	7878	2819	5394	1692	2228	0	4870	0	1889	21254	0	0	1677	0	0	0	0	0	0	8747	4675	1925	1748	1755	0	0	0	0	3775	0	0	1707	0	0	0	0	0	1718	22361	0	0	0	0	0	2801	24120	1914	0	0	2970	0	2142	0	0	0	0	1521	15341	0	3981	78839	0	0	0	0	0	0	0	1951	0	0	0	2399	0	0	0	1322	0	0	2807	0	Lipid	0.12	1.6	0.0
8	C18 H15 O9 N1	390.08197	390.08258	-0.049744766	390.08194	8199	8277	3738	6070	9199	4167	986	948	13737	16884	12180	1924	17960	2616	1761	1433	2150	9130	10937	6648	17596	17304	4216	1424	0	1073	1017	3033	947	0	0	1414	2960	0	29021	936	2621	2219	3175	6766	17122	4975	0	0	0	6761	11980	0	0	883	6843	7906	6642	0	12829	13441	5365	2322	939	1975	0	11482	27647	16111	3742	13708	3675	2875	6656	4685	14889	795	1617	0	1237	0	0	947	3895	9032	2170	3759	542	3252	12156	3818	3421	4466	6150	6181	0	0	2532	16887	10531	0	4812	5388	10162	16920	13128	1975	1619	2902	0	3635	7246	0	1501	23911	Phytochemical	0.5	0.8333333	0.055555556
20	C18 H15 O9 N1	390.08197	390.08237	-0.10803297	390.0819	17044	23084	15314	12861	23815	15454	3570	3578	23793	47457	17855	5125	43491	15644	7313	7319	5690	35127	26968	19438	29446	73962	10775	6643	5830	5317	3809	6792	3021	1485	2153	0	7732	3397	58096	1944	7742	5204	4499	42028	37683	8907	1735	704	481	19375	31064	833	4744	2329	16118	18723	17123	494	28394	21740	11205	7357	4525	5731	5230	24285	46691	31523	6135	31685	10987	3427	11031	13785	12738	1240	2041	0	5138	2401	354	2991	17295	46141	12489	21514	4324	16530	28798	11519	12694	13381	11232	12208	11631	11417	9746	68692	78933	0	13611	17648	17849	23374	26495	4746	3273	5805	20661	10195	22861	693	5113	46725	Phytochemical	0.5	0.8333333	0.055555556
28	C18 H15 O9 N1	390.08197	390.08228	-0.18346386	390.08188	6853	5839	6453	4192	3949	5532	2313	0	6559	14643	4428	1958	11080	2711	0	3115	0	12294	10576	5019	10228	15670	4600	5258	2869	0	2259	1838	0	0	1744	1069	3923	1202	16286	0	3885	3080	2130	5720	9938	0	0	0	0	4295	8602	0	1867	0	4759	4461	5679	0	9778	5187	3108	2605	2718	1974	2796	5394	15009	7240	2392	7135	3677	3080	3473	3368	4157	1300	0	0	0	0	0	1177	6171	13426	5036	3718	1811	1930	4067	4781	4489	3951	4441	3313	2453	5533	6060	16251	20978	0	3888	5999	4059	4280	3290	3301	0	3607	3475	3605	3403	0	2070	14542	Phytochemical	0.5	0.8333333	0.055555556
18	C18 H15 O9 N1	390.08197	390.0824	-0.1031487	390.0819	34720	29148	32151	31943	35761	19940	4630	11316	48072	90642	42219	5521	70811	20114	9602	9709	14035	63171	50831	47063	67362	112369	16934	18186	6294	10777	6980	20224	4294	6820	6315	3525	16613	7519	114341	4759	18965	10940	9881	59766	69286	17566	1100	0	424	37497	45813	707	7460	3113	28788	31526	32396	446	53891	40225	17209	20001	10556	13575	13254	43309	84986	48995	16076	54615	23801	8778	26313	24522	33659	4042	3259	0	7371	4518	321	7804	21524	84982	22648	36164	5466	24288	41024	21233	24287	17580	23567	25273	16597	28460	25034	108566	135223	587	28651	32561	27160	42172	38286	13419	7528	11530	24979	14865	27640	395	13020	83578	Phytochemical	0.5	0.8333333	0.055555556
10	C18 H15 O9 N1	390.08197	390.0825	-0.05425455	390.08194	17543	14245	13463	14906	23984	9067	2328	2853	29043	44275	30380	5260	39513	9645	4427	5971	5617	25944	26029	24024	41147	37308	7175	6967	1189	8152	1965	10639	1503	2776	2574	2947	6975	2760	66737	2096	6548	5526	6741	26583	53712	9424	0	0	0	15281	35024	0	3216	3204	15390	16513	13748	0	29165	25194	10178	7467	2873	8223	0	23046	49565	31129	8664	30449	7871	11060	21303	20911	43349	1498	1702	1006	3907	2636	0	3926	11525	25222	8496	15655	3450	9795	27830	11697	8594	10357	10837	17921	4697	10932	12337	49553	40013	0	17882	18321	23095	30594	25095	10339	4049	5073	0	6674	16726	0	2489	43948	Phytochemical	0.5	0.8333333	0.055555556
24	C18 H15 O9 N1	390.08197	390.08234	-0.11095913	390.0819	2586	2311	3886	5510	8329	5528	0	0	7987	13703	5366	1344	12070	3901	1703	1535	1380	8622	11699	1803	5026	20522	3751	2104	2222	0	1564	1294	0	0	0	1030	2379	0	10808	0	2010	1880	1371	6439	7098	1863	0	0	0	4783	8232	0	962	0	5961	7549	6396	0	11247	7308	3266	2545	1691	1085	0	6805	13457	12020	2283	6893	4541	2045	1920	1588	2822	0	0	0	1939	0	0	1185	4326	12869	4532	4734	0	3019	12623	3671	2846	4001	6172	3223	2258	2523	5266	27744	35610	0	7181	3730	4656	4898	7601	1924	1337	2082	6090	3142	3913	0	1651	14491	Phytochemical	0.5	0.8333333	0.055555556
16	C18 H15 O9 N1	390.08197	390.08246	-0.05138607	390.08194	39140	44101	43244	43673	50418	27737	11086	7075	56833	131872	66782	14810	102973	24955	14278	21139	14746	77236	60635	66242	95019	121878	25217	20943	10851	17381	8097	29059	7849	6257	7436	6353	27324	6053	162860	4981	26086	13763	16719	78749	103986	18642	1122	0	0	45267	70966	680	12438	5331	48965	44223	37469	252	57225	45885	26960	22609	14822	15426	18227	55312	101956	56081	17425	72416	29434	15472	48070	32816	57473	8098	10514	2578	8931	6826	544	9868	33132	107814	17696	48106	10395	40709	48079	21764	29790	29352	23732	26205	29384	33499	34834	136691	150244	0	44112	41590	32539	57171	48812	20583	10394	13434	37658	21542	37573	0	14581	102257	Phytochemical	0.5	0.8333333	0.055555556
26	C18 H15 O9 N1	390.08197	390.0823	-0.12585096	390.0819	4951	3860	4675	3117	6144	4316	0	0	9458	12095	2683	0	10111	0	0	0	0	13279	12475	0	9848	18956	0	0	0	0	0	0	0	0	0	0	2166	0	14089	0	3266	0	0	7133	7070	0	0	0	0	5621	9528	0	0	0	6312	4984	2637	0	7989	0	3578	2475	0	0	4504	6562	12763	7605	0	6579	3476	0	0	2546	3771	0	0	0	0	0	0	2642	4855	14181	3514	5331	0	2101	5807	0	4886	3036	3859	3354	3175	2316	0	15559	24942	0	5537	5239	3073	5562	0	0	0	0	6303	1954	0	0	3354	18630	Phytochemical	0.5	0.8333333	0.055555556
22	C18 H15 O9 N1	390.08197	390.08237	-0.14379875	390.0819	7221	9019	6610	8740	9225	7277	3839	2733	12897	16729	6796	2423	18206	4790	3008	3800	2923	16654	13546	8423	21092	37455	5558	3708	0	0	0	0	1980	2239	1370	0	3615	1172	22268	0	4625	3989	2585	13955	12556	4594	0	0	485	14525	16439	0	2771	1789	7206	8392	8774	708	12360	11279	7178	5985	1215	2727	3542	11690	21439	18858	4530	14741	6016	0	6074	6478	4916	1783	0	0	1886	0	636	2028	8880	21254	5167	11355	1894	9941	18232	8996	8478	7037	5990	0	3953	5760	7986	40288	51440	0	9480	9397	4242	13244	9913	2538	1551	2547	12799	3292	8732	0	4655	23644	Phytochemical	0.5	0.8333333	0.055555556
12	C18 H15 O9 N1	390.08197	390.0825	-0.03460335	390.08194	23999	37511	28684	27060	33275	17658	5638	12586	47098	84999	62118	10806	60843	12131	10677	9079	12413	41703	41680	51095	82131	107891	13834	18232	3827	17064	5479	18866	6037	4604	8425	5303	17759	4014	133462	4475	11694	12287	19472	47508	112124	13811	823	0	0	28005	60278	0	5994	6077	27450	30564	23740	0	49868	40281	18562	14834	11896	17808	0	49294	84853	49314	16740	56434	19555	11367	30650	29283	70325	5413	5749	3041	8728	6498	0	6622	22685	57892	14564	30463	6314	18688	40516	18738	25333	15595	16398	35424	9890	26203	25595	108139	68151	0	37851	27341	36532	46695	39512	18398	9573	12223	27739	13521	28823	0	9357	83854	Phytochemical	0.5	0.8333333	0.055555556
14	C18 H15 O9 N1	390.08197	390.08246	-0.069699705	390.08194	41523	39805	36471	41448	48620	23066	11578	14158	48994	129825	73914	11386	105313	20912	14757	17770	19567	64323	57602	67925	110368	161013	24331	15542	10512	23945	9791	25569	7536	6164	9844	8068	22447	9239	170226	5402	22362	11058	15378	68012	122054	22976	0	0	0	42029	88723	0	11422	7548	44875	43810	37901	249	71611	54211	23760	20217	18923	25810	0	68028	116289	66815	19283	73776	20477	18915	50817	37423	71809	9521	6080	2101	8422	8627	0	9990	33345	104173	26258	39373	11115	34590	57344	24821	35269	29018	23139	44734	24109	33003	40512	152944	139311	0	38675	31223	40662	66410	53302	19078	8763	13468	41168	19431	38898	0	14040	94691	Phytochemical	0.5	0.8333333	0.055555556
14	C15 H19 O9 N1 S1	390.08533	390.08585	-0.08283389	390.0853	3365	4024	4080	7034	3520	5500	0	1598	6294	15567	5735	2278	12391	0	0	0	2403	9417	8905	7883	10888	16508	1733	5827	1364	2128	951	8766	3383	2206	1678	0	6419	2513	19339	0	0	1813	1905	10803	8598	5244	0	0	0	4585	3962	0	2399	1762	6438	4770	3618	0	7549	4386	2026	4935	0	5385	0	12668	5898	5621	2813	5929	2777	2474	0	2294	4428	1513	0	1496	2285	2291	0	1814	3761	0	0	3388	2545	2225	4948	0	2139	5788	5510	0	5049	15779	6940	13680	20468	0	7068	4589	1696	2376	2400	0	0	6060	0	2556	5401	0	1276	8198	Organosulfur	0.6	1.2666667	0.06666667
8	C17 H15 O8 N3	390.0932	390.0938	-0.04232326	390.09317	6388	6473	2863	6963	6876	2560	2119	2573	10009	10002	6702	1486	10794	2233	2379	1891	2989	7096	9666	5753	13591	10042	3772	5803	1010	1834	1224	2088	2228	1094	1613	1891	2527	861	15127	2261	2886	2056	3111	9180	14539	1997	0	0	0	4963	9164	0	1382	1301	5807	6221	4255	0	11101	0	2583	2476	1982	2836	0	6457	22840	11358	3201	12375	4013	5947	4419	3590	8546	0	1259	1160	2803	1791	0	1281	4760	5771	4240	3826	1113	1963	10120	0	3713	4304	3677	9416	0	0	7200	10534	9060	0	5537	6017	5380	0	6272	1320	2027	2763	0	3475	5330	0	2069	16472	Unclassified	0.47058824	0.88235295	0.1764706
10	C15 H19 O11 N1	390.1031	390.10364	-0.08586282	390.10306	23277	25611	21977	25115	55945	29258	4090	11207	81033	14568	29884	18229	149232	16077	14960	15583	23159	90201	88291	20683	56266	25228	31523	11128	3591	0	6474	0	7816	9851	7213	7768	21643	8108	20716	8213	16697	9770	12371	9324	18869	43869	1239	0	0	9539	17780	0	6708	11182	24825	26274	43482	0	121317	102573	31068	6127	9809	14274	12646	15880	112992	100889	32650	72304	28906	18896	0	0	0	6220	11198	8637	17915	8021	0	12739	14191	22751	12028	6093	2816	0	84293	28029	10426	32280	32834	15716	0	9690	17032	36902	23695	0	25423	31242	58156	79983	90965	27538	13930	11250	19495	14436	68590	0	3446	124975	Phytochemical	0.73333335	1.2666667	0.06666667
18	C15 H19 O11 N1	390.1031	390.1036	-0.009014618	390.1031	3401	4797	4335	3263	11338	7063	0	2717	14330	0	5345	5945	24481	4657	4972	2820	4274	18163	14890	0	8210	0	6629	2659	0	0	2200	0	0	1503	2168	0	3786	0	3006	0	2715	3294	3661	2551	4589	9500	415	0	417	0	4945	452	2253	4592	4575	6827	10027	0	22697	19590	8211	2831	2201	3374	2287	8638	20542	22023	8801	13617	6216	2522	7786	0	6598	2434	0	4156	2633	0	293	5948	2041	3798	2753	2608	0	0	21622	6776	0	8316	8448	2776	0	3793	3011	2986	0	0	3350	6676	15877	10165	8582	6348	4259	3946	4036	3261	13332	0	0	26874	Phytochemical	0.73333335	1.2666667	0.06666667
14	C15 H19 O11 N1	390.1031	390.1036	-0.049990475	390.10306	15784	15512	13481	21969	50176	32936	3050	6587	84475	7523	21567	19024	123821	22278	14125	5931	19278	85258	68350	11727	45956	21649	33005	7332	4448	0	2865	0	7736	6950	4183	0	13377	5964	8823	6773	11268	10849	7646	5508	17219	36767	0	0	0	7356	24191	422	3951	8965	12799	17174	39523	252	120951	79499	27073	6719	8389	0	0	19553	98992	101007	28409	48471	27907	12056	23233	2652	11169	7158	4395	5810	12527	5132	0	15675	14052	22434	10878	5293	1456	1315	73358	24288	7643	29178	26164	7672	5501	5535	16239	19156	7042	0	16838	26412	51384	56922	59321	19964	17315	5130	0	12925	50655	0	1923	93655	Phytochemical	0.73333335	1.2666667	0.06666667
16	C15 H19 O11 N1	390.1031	390.1036	-0.065419346	390.10306	11150	9651	7517	10359	30238	18755	0	4486	37072	4989	11519	10159	65939	9702	7241	2935	9818	43772	44285	8915	19856	6723	19046	5856	0	0	2350	0	5823	4489	5157	0	10764	4036	5659	5637	6467	5320	5053	3204	15493	17906	1268	0	792	3939	16091	831	3220	7594	10756	10711	21169	288	59263	43537	14243	2316	4746	8484	0	11612	56796	54566	13728	25566	17213	7430	15191	0	10892	4881	3503	3624	7696	3273	0	9023	4535	0	4837	4283	2540	0	42101	9783	6092	16531	21047	0	0	3428	0	12818	0	0	11672	16826	30243	22339	27834	12577	10478	0	14549	0	29412	0	1745	63044	Phytochemical	0.73333335	1.2666667	0.06666667
6	C15 H19 O11 N1	390.1031	390.1037	-0.05104139	390.10306	5467	6104	4444	4817	12041	4958	1023	4433	14774	3888	4266	3943	34869	4766	3270	2866	4231	17606	18408	4230	8324	7154	4384	3630	0	0	1195	0	1672	2358	1070	2960	4634	1901	4098	1825	3643	1957	2843	0	3491	10332	0	0	0	0	3093	0	1673	2952	5327	4688	7995	0	19669	27621	6130	2004	2239	2873	3094	0	29273	20122	5839	16221	7794	4725	0	0	0	1535	2020	1861	2923	2019	0	2057	2972	0	1824	862	1127	0	24111	7657	2830	8955	6843	3058	0	2255	4625	6667	4473	0	4846	6266	11784	21733	28608	7006	4065	4488	0	3707	18673	0	1048	26676	Phytochemical	0.73333335	1.2666667	0.06666667
12	C19 H19 O8 N1	390.11835	390.11887	-0.082263574	390.11832	117455	116421	107788	112130	87820	56216	53012	70130	101943	318852	208054	40661	135556	40727	45989	70865	61454	109414	138528	274076	336131	245431	65070	73440	45917	172261	41166	136564	56424	45787	53428	50607	84611	46291	451454	52732	67164	48549	77471	249157	301871	49487	1860	0	0	164368	213301	0	57654	57414	103240	116892	69309	549	130336	84404	46976	72759	88024	82089	63175	189465	169941	105243	40510	106056	61877	73038	267154	327768	396082	60960	47463	40995	40891	43894	0	44380	83640	159335	59777	119321	61552	123765	94431	55534	78088	48704	53189	118728	78330	109747	111106	205034	206154	0	120884	130203	85581	85336	82698	75009	44989	73065	116386	69668	66225	0	44695	162343	Phytochemical	0.42105263	1.0	0.05263158
16	C19 H19 O8 N1	390.11835	390.11884	-0.059399035	390.11832	120485	143743	129093	137879	118425	82930	51222	64682	130805	453075	216956	48169	168970	74876	61729	72391	58383	165890	168553	299981	329283	288706	76673	94042	58985	204237	37130	175218	56927	50799	60177	57404	80819	61191	579397	52901	94009	50621	62336	306435	274892	63931	3424	580	681	169175	194413	760	70033	45498	138885	123113	87030	859	136392	99010	56401	83490	83377	52029	75205	202803	191849	112361	50066	141705	82298	65807	255740	375756	342771	61918	46100	39998	49859	50600	442	48550	90910	207395	69390	145357	68326	185265	122969	69487	87896	73074	77550	114784	121791	154435	146679	243613	352569	1080	122696	127509	82210	98909	103245	77891	34979	83117	126121	90702	85016	572	64518	201101	Phytochemical	0.42105263	1.0	0.05263158
24	C19 H19 O8 N1	390.11835	390.1187	-0.08774134	390.11832	6078	5670	7244	8565	8318	6766	1380	2897	6192	25892	11822	3071	12149	3639	2993	4859	1601	10887	6835	7611	14411	20337	5592	4538	3773	6830	1066	5549	3621	0	1903	2998	5188	2932	24147	2721	6583	1761	3749	14165	13928	3268	0	0	0	11630	14659	0	2404	4099	6281	4608	7128	0	7852	5933	3298	3768	2421	1878	4229	14316	11847	10529	2938	9133	4020	3335	12374	9817	19444	2395	1510	0	2529	1962	0	3678	4423	13766	5978	6650	2549	5627	10749	4036	4989	4228	5219	4013	6513	5630	5218	17317	31199	0	7855	7769	7295	6253	4541	2862	1576	4602	6473	4202	3750	0	4602	15947	Phytochemical	0.42105263	1.0	0.05263158
10	C19 H19 O8 N1	390.11835	390.11887	-0.10745776	390.1183	81457	87691	68657	77738	63017	40782	33487	44299	75237	240674	121701	34042	108835	33547	33414	56676	40572	73976	88315	159065	211613	154727	46951	60087	24626	124334	34773	78879	42421	33690	34774	42739	66206	38331	279590	32067	50457	32809	53669	156165	195286	36148	917	0	0	114885	156807	0	45017	43975	83401	84267	44685	0	92381	56579	29278	52687	47634	55239	39803	113761	111408	76772	29605	79058	36551	59603	200801	197267	273797	39676	37442	27539	35672	39304	0	34472	57353	77644	41593	85224	35338	69258	67641	33831	46731	40937	36494	77045	51862	66895	79398	134531	153020	0	85741	80294	53761	64820	64054	52220	27788	57628	103143	46936	46931	0	29893	119328	Phytochemical	0.42105263	1.0	0.05263158
18	C19 H19 O8 N1	390.11835	390.11877	-0.10698303	390.1183	101686	96714	100334	93010	92265	56993	30421	45562	94582	300649	162913	29761	138927	57419	40978	54574	35895	135711	116519	205857	240471	209364	60347	63041	45697	132612	25890	118108	41448	32389	33222	40237	69103	39332	346381	39097	68555	39259	34747	209344	173342	50075	3946	317	743	133897	137810	651	49454	33620	102279	90569	71446	1012	118270	66089	45662	69593	52084	35947	61532	140429	151267	89633	38851	104082	65771	35162	159558	212228	221870	40391	31458	17467	33570	34602	638	30413	63974	143196	51959	104265	38253	122584	91822	58537	60935	56092	53196	56211	91255	120270	101558	162586	251041	996	103801	89470	67890	69652	73514	61659	27589	51431	87632	50814	61517	916	43735	128879	Phytochemical	0.42105263	1.0	0.05263158
8	C19 H19 O8 N1	390.11835	390.11893	-0.085067466	390.11832	50660	54292	40941	49080	38659	24128	17429	28328	50040	144312	81010	19392	73728	20244	19478	31086	28549	48966	53355	101370	135200	95763	28312	34920	12143	50648	14777	50066	18108	20364	21405	27281	29142	20712	185333	19350	33810	20124	36618	91814	127402	20951	615	0	0	59689	107103	0	29596	25118	48554	52665	27902	0	58010	37638	20679	32860	23251	34442	32795	70604	77626	51954	19546	49486	27427	36491	107153	99427	162592	27629	21409	15190	15467	23867	0	15533	34644	52717	25851	47682	17763	39865	44115	17512	32186	24340	26725	45992	27244	38700	45232	80136	93466	0	50593	47762	41607	45141	36468	26219	19619	34668	43407	27271	29837	0	18070	64601	Phytochemical	0.42105263	1.0	0.05263158
20	C19 H19 O8 N1	390.11835	390.11874	-0.14327344	390.1183	47469	52307	47572	45209	53541	41059	17118	20955	55397	146075	75909	14341	75542	33062	21109	31551	16065	65294	59125	100557	114487	112739	31065	37095	30310	60992	15881	65527	16784	14395	16329	15658	34476	19659	179336	14299	32574	19338	15784	104681	83435	25320	4252	878	669	72144	97947	758	23861	14933	52518	49034	40813	701	54150	42976	20244	30091	26697	17535	34603	75251	79734	55179	20940	55889	33388	17786	80888	100757	100658	21695	10638	5680	13186	15447	661	17671	33117	84786	25036	58283	21611	61439	52639	27831	29118	27791	33742	32709	39119	56457	56081	105797	125098	831	50733	48303	32618	45044	46334	24059	13536	28907	55119	26138	39783	737	23434	98098	Phytochemical	0.42105263	1.0	0.05263158
22	C19 H19 O8 N1	390.11835	390.11877	-0.1364933	390.1183	17632	18177	20943	17743	18595	15303	6323	7689	16692	59842	29517	5825	27317	8109	12348	12288	5376	26026	23377	34970	41108	51508	13797	10051	7553	22850	5208	23741	8815	5336	6205	4706	8726	6080	65261	4566	15285	7841	4804	36217	36165	12084	0	0	650	32332	35301	0	8346	5298	19629	20166	15776	920	27242	17355	10607	12009	11310	5908	10876	31372	34501	21519	11086	27978	9305	5062	28121	46155	44364	7747	2232	2978	3502	4905	806	6326	16234	36934	9100	23011	7709	21579	25487	16062	15635	11505	13161	12422	11421	20072	13958	46720	67967	0	14882	18275	15402	19648	18539	13762	4853	7861	22603	10012	12062	0	7284	34859	Phytochemical	0.42105263	1.0	0.05263158
6	C19 H19 O8 N1	390.11835	390.11896	-0.10102131	390.11832	22562	26497	22532	20980	22451	12867	8242	11599	28155	65728	48668	9052	39501	9133	9801	16804	12332	25480	30511	40512	77949	43723	13600	16554	5178	21534	6738	24607	9016	7576	10125	11898	16056	10955	88886	10780	12689	10778	16438	32099	67182	11089	0	0	0	25293	56692	0	13157	9001	25484	22757	17049	0	28130	22977	11528	14636	9244	18985	14643	30747	42837	24883	8053	24871	13822	19732	45209	38761	85698	9267	8036	7137	3398	11921	0	6682	14290	18955	10547	20085	7416	14733	22090	11147	15978	13453	13218	23446	10434	19146	23744	38532	38908	0	23344	18419	22147	26655	27549	13705	8857	16124	22474	13032	19466	0	7630	42279	Phytochemical	0.42105263	1.0	0.05263158
16	C16 H23 O8 N1 S1	390.1217	390.1222	-0.12986197	390.12167	6970	9223	7460	10763	5216	5955	4670	5358	6671	16302	5933	4274	15391	3526	6220	6639	5999	12033	11246	20165	12027	17092	5101	8364	7316	11709	2418	7979	7077	7066	5236	6515	4923	4649	17596	7386	10800	3461	6639	17218	11398	8146	0	0	0	9760	10269	0	5927	6502	8658	7231	8981	0	8034	7358	3043	8009	14993	4243	7970	13039	5262	5479	4629	7193	8751	7166	9302	17139	11077	7859	6151	5188	5746	4003	0	3748	4529	14079	2987	5601	8965	6764	6441	5682	6620	8395	6155	0	19447	32184	0	12381	24499	0	5410	9473	5625	2147	5694	9417	1871	17923	0	19865	6044	0	3376	6440	Organosulfur	0.5	1.4375	0.0625
18	C16 H23 O8 N1 S1	390.1217	390.12213	-0.19030972	390.12164	7168	7304	11641	7109	0	6854	9224	7585	8520	13281	6012	5475	10931	2392	7722	6556	5234	13016	10416	14455	12438	11981	5084	7110	7824	6116	7292	5081	9500	8528	5380	5962	8299	7962	14946	10379	5600	5159	2636	16599	6082	8031	0	0	0	10277	6195	0	5660	5512	7774	7333	5411	0	11861	7158	7393	8219	12819	4985	6430	10367	2013	5176	6279	5867	5888	6632	7295	10720	3400	3289	5863	6434	6464	6510	0	4836	4438	7772	3606	4308	4994	7218	4978	7400	3559	4868	4487	4774	16949	26897	9704	8499	24974	0	9051	8399	5270	5191	4073	7525	3647	11244	7228	8859	5364	0	8243	5963	Organosulfur	0.5	1.4375	0.0625
10	C18 H19 O7 N3	390.12958	390.13028	-0.10087375	390.12955	53032	49996	0	50819	28721	25412	0	48540	31915	61680	35983	0	35184	0	34646	0	49238	39875	0	60242	70786	78194	40845	58182	0	0	30229	23427	37080	35841	38400	0	0	40237	0	40579	0	0	56916	0	72728	0	0	0	0	55250	71915	0	0	0	0	0	0	0	39044	20723	19853	0	42429	41264	61516	48265	42062	34403	22246	35874	0	0	34231	0	53684	42430	34929	26763	35345	33135	0	29495	0	36535	40097	39281	31029	0	31081	0	0	34231	28736	100867	54855	58434	0	43449	62547	0	50583	46157	21522	22693	20876	42451	0	49169	37530	0	21089	0	0	50241	Peptide	0.3888889	1.0555556	0.16666667
14	C18 H19 O7 N3	390.12958	390.12988	-0.02279083	390.12958	27616	30028	17435	26223	15278	17987	0	22814	17858	26020	16592	14900	21101	10749	22194	32384	26673	20243	24202	22541	31157	0	28023	0	30513	0	21088	10808	18093	15940	22299	19828	36851	19019	34193	14994	31118	25519	35307	33275	43926	0	0	0	0	23547	33858	0	22673	20123	22779	25224	21422	0	21453	10565	0	41144	20692	18258	30920	0	22503	13501	12789	0	18473	33593	0	19566	15988	16544	13637	14025	18555	15268	0	14926	33037	34215	25209	19639	17911	15959	18287	14816	33362	20004	21773	61310	31599	37333	62874	23247	30214	0	26361	24923	0	14070	12184	33077	17658	25954	0	38012	9250	0	24842	25429	Peptide	0.3888889	1.0555556	0.16666667
4	C18 H19 O7 N3	390.12958	390.13022	-0.1633645	390.12952	11166	11641	10009	9765	8060	0	4883	7098	9872	11065	10738	7215	11261	5050	6621	9738	12047	9358	9309	9459	16903	18626	10815	13093	3633	3936	5293	4692	5709	7106	7153	6390	10620	4883	17290	7539	7186	7181	18907	12179	22042	5808	0	0	0	10648	17091	0	9009	8611	11108	8099	5660	0	0	8753	3853	10906	5698	10732	13145	10469	14962	9876	6018	10442	5463	15803	9239	7022	14659	7832	5485	5860	2910	6125	0	6335	11097	6086	8445	7735	4405	4606	10526	6614	8519	9858	7419	18050	7890	10688	18642	9502	11227	0	9664	10996	8327	12219	10652	9856	6939	14382	10035	9279	6851	0	5384	13544	Peptide	0.3888889	1.0555556	0.16666667
8	C18 H19 O7 N3	390.12958	390.13028	-0.098881714	390.12955	54287	53672	0	55385	27831	22381	28201	47769	35776	0	76306	32522	39191	13706	35126	0	0	33011	48867	61461	74093	0	0	61968	26589	16266	0	27553	44428	35384	0	0	0	46031	0	0	52860	34556	54876	0	88260	26292	0	0	0	69689	84429	0	55192	0	53177	0	24395	0	38843	0	0	0	73234	0	54989	51809	0	37463	18163	36108	0	57188	36074	47346	61157	0	40814	0	32379	0	0	32061	45514	32662	0	36813	30474	33233	29890	18193	0	37606	0	0	44570	51714	97033	50998	62623	0	50073	50281	0	26263	26713	53322	0	51618	31172	0	23895	0	0	0	Peptide	0.3888889	1.0555556	0.16666667
6	C18 H19 O7 N3	390.12958	390.13016	-0.10395522	390.12955	35520	35253	32845	35501	39372	15799	17225	34458	26416	56912	31293	20373	32262	9742	22214	36701	0	28306	0	39457	0	0	0	43859	16140	11851	18149	19192	25438	25623	27451	32746	38095	26664	60977	26356	32226	22384	0	43636	67770	17057	0	0	0	42878	71787	0	36636	29796	36306	37828	20687	0	26272	0	0	37203	21506	34907	35583	38322	35031	0	12978	59098	24947	51894	22283	25256	46492	28257	24657	20064	15888	21376	0	17612	28554	21131	24657	25237	20033	18898	23602	15537	30553	25131	21133	65202	15584	38049	68737	38791	43899	0	32575	33063	14622	22908	16631	34173	21107	40277	33661	39894	18655	0	21363	36240	Peptide	0.3888889	1.0555556	0.16666667
12	C18 H19 O7 N3	390.12958	390.1304	-0.08603578	390.12955	32165	34446	36512	31646	0	20507	0	41154	25580	43152	29612	23488	31389	12061	29900	33016	51495	35586	42119	44315	53994	77144	0	37444	0	13881	0	17256	35768	24283	29746	31372	42227	30585	0	28831	37390	30084	45607	51810	64833	0	0	0	0	45502	54537	0	29637	25764	34989	34308	25181	0	31858	16195	16603	37563	39061	36327	23644	39132	30566	25438	13425	0	23577	54059	26302	37113	43126	0	24766	18692	26360	21828	0	24639	38845	27354	32967	32906	27904	25556	20907	0	43361	24863	30426	0	34240	52251	0	39447	37044	0	36220	33523	0	17110	17887	36784	23270	36162	23851	48636	15354	0	0	43315	Peptide	0.3888889	1.0555556	0.16666667
0	C20 H23 O5 N1 S1	390.13696	390.13757	-0.14700995	390.1369	8988	8082	5736	7894	0	0	0	0	665	0	0	0	0	0	0	2574	0	0	0	0	803	0	0	3108	0	0	0	0	1022	0	0	2346	1248	41092	0	0	0	0	0	0	0	1848	0	0	0	0	0	0	3057	0	3735	6359	0	0	822	0	0	0	0	0	7813	0	0	0	0	4049	0	0	0	0	0	49505	25660	2170	0	0	0	0	0	0	0	0	0	0	0	0	0	16618	0	1509	2219	1181	0	0	0	0	7509	5177	0	0	0	2360	0	0	0	0	0	0	0	1922	Organosulfur	0.25	1.15	0.05
16	C16 H23 O10 N1	390.13947	390.13992	-0.13042912	390.13943	134028	134161	133185	135384	173717	137892	62543	149025	240552	169036	132283	93102	337597	67538	140416	106761	111470	335645	340012	193408	317206	149381	177258	123165	62206	64094	51635	55031	120377	115308	99081	90541	148488	89369	191744	125180	133436	99918	96713	144805	179986	138456	5460	1263	1068	128462	183084	1056	104356	143877	128056	121760	150114	1355	437024	199334	103202	97460	110941	88148	132535	153489	292285	302605	79363	192999	134501	92696	188949	143149	182938	122844	105903	127714	116272	96560	739	99028	111926	117636	89579	95179	56518	79663	220759	117101	98660	103154	125285	58836	50099	113188	147798	116556	158841	2362	130663	168136	145564	125343	172727	177469	82189	107911	97860	121401	160176	1502	70748	312458	Unclassified	0.625	1.4375	0.0625
14	C16 H23 O10 N1	390.13947	390.13995	-0.13778484	390.1394	198825	176020	164961	187300	247579	221397	102091	190251	438014	231560	192325	118065	610887	126188	203703	161070	183440	577935	469659	356281	511072	221566	243867	170126	87579	93786	78757	107686	182912	168873	114135	142158	224681	121980	392871	180153	170246	136972	136097	195861	210146	232991	8700	879	814	195389	232061	1175	104530	166110	165672	155237	231652	1431	950531	350321	129586	124478	219195	133577	197120	265153	502391	516093	124924	295089	195690	99409	309560	160557	182104	121486	126877	189203	147919	115175	854	141789	143272	198635	145805	146184	72141	91613	351099	186635	136382	135034	160296	91964	95717	124807	200313	198968	203667	2676	172664	264849	251718	224264	256021	246141	128874	203359	208315	116852	291426	783	62444	488233	Unclassified	0.625	1.4375	0.0625
12	C16 H23 O10 N1	390.13947	390.13998	-0.15327463	390.1394	142672	128970	153501	151369	238526	184214	106986	215111	411009	248299	188900	123500	496750	90123	188136	130685	201412	491423	528347	382546	523647	206570	242381	147673	78138	90367	64494	103384	198899	132330	141860	109606	226725	123243	424518	152124	157694	146075	143357	225766	206949	212028	7470	1032	798	198950	205618	786	105754	153407	154046	153345	231261	1316	855552	337319	152268	124624	212067	164447	174231	245692	496558	473437	117409	305588	193821	134381	288573	155820	220818	113033	123626	146085	111666	101848	423	146185	156408	169898	142493	123561	90382	77307	342022	184224	130929	134893	179807	115475	77955	149586	201648	207278	151502	1602	166531	235271	291951	215580	271770	197939	127563	164014	163770	137184	323126	525	80798	536171	Unclassified	0.625	1.4375	0.0625
8	C16 H23 O10 N1	390.13947	390.14	-0.18405332	390.1394	63366	68674	48263	68047	61625	45298	29597	62798	98402	81616	67790	48490	155791	28618	56972	68146	65212	114287	126412	95245	119333	80553	75789	69133	23054	26904	31003	31398	56693	53899	42531	52688	52792	51230	98926	53413	61069	49278	62901	63854	79647	69713	1371	347	0	64804	88205	0	51929	66239	59918	64163	58208	439	168023	105712	49771	41339	55101	54529	75411	56547	127156	117568	49189	86898	53258	63866	64874	44202	67967	50847	52261	58694	54999	41690	0	46552	58105	47250	45059	31240	25161	26907	111814	60614	46352	47934	60284	50019	22020	46728	81870	56832	80729	492	59091	89766	69920	88217	105836	84512	42085	80242	33381	44545	92341	0	29053	125988	Unclassified	0.625	1.4375	0.0625
26	C20 H23 O7 N1	390.15472	390.15506	-0.19317238	390.15466	8102	5640	5438	8138	7929	5590	0	6501	7826	17354	9396	4777	9338	3166	0	0	0	9829	8416	6177	14520	9038	0	6586	0	8410	0	5511	0	0	3493	4643	5254	5060	12705	0	5247	0	6178	10005	11984	0	0	0	0	7562	8364	0	4356	0	8322	7743	5198	0	6696	0	3317	4837	2449	0	5876	7972	10092	5858	0	7706	3765	4146	17748	19727	25382	5089	3572	0	0	3647	0	4771	4958	7065	4760	4331	4403	4366	6939	0	5781	6242	3768	5130	3990	5737	7928	6541	10579	0	6388	9880	4057	5445	4416	4820	5173	5522	0	5905	0	0	3376	14014	Phytochemical	0.35	1.15	0.05
0	C20 H23 O7 N1	390.15472	390.1555	-0.21510614	390.15463	0	0	0	0	0	21730	0	0	0	0	0	0	0	0	0	0	0	0	0	0	950	0	0	0	0	914	0	0	795	0	0	0	1019	0	0	2296	0	0	1028	0	0	1095	0	0	0	0	0	0	1481	0	0	0	0	0	696	630	0	0	0	0	0	0	0	0	948	0	0	0	678	0	0	0	0	0	0	0	0	0	0	0	0	529	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	378	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.35	1.15	0.05
14	C20 H23 O7 N1	390.15472	390.1552	-0.1053643	390.1547	221452	210215	189669	201093	114165	104354	124436	172838	141849	425270	265964	101414	138084	85040	113278	183667	139932	153814	166664	462781	548598	323189	127948	191666	129686	418741	103180	253024	145495	137518	132994	178134	184995	139422	540617	136397	169890	114154	156588	417133	379362	103877	2810	536	421	237905	256576	518	152664	148692	198591	192200	103894	849	143988	92057	70012	174803	183313	138713	185045	250376	165552	126989	68079	140262	111467	152079	386558	618909	575458	144162	132860	143653	121722	147515	507	112454	141286	196124	122609	164764	141743	244633	107628	77244	139187	105799	113103	227583	223572	233934	243631	215091	281835	1331	201373	191047	90446	88098	94512	169233	101167	216802	191846	152012	87079	520	127350	168841	Phytochemical	0.35	1.15	0.05
16	C20 H23 O7 N1	390.15472	390.1552	-0.093260884	390.1547	215950	220801	211445	215659	138618	113462	111299	180277	156663	554515	289943	108430	180970	96205	127061	186153	139180	196627	220756	525788	572094	324072	144009	210727	130279	490948	102272	250546	148531	145615	142430	160736	203613	140786	585795	160160	195812	103273	156074	448505	383644	105057	3762	1029	762	239532	248958	896	193877	163823	213062	221033	133193	1177	148284	112280	87091	184480	155300	130131	194362	251689	192914	131072	73291	159200	118577	146434	446903	745677	607738	175542	143350	139925	128754	142155	917	110351	153837	221681	111743	176838	144280	273304	149454	91981	146010	117948	116914	213831	217288	236869	309259	224190	342896	1822	209236	210753	103023	107285	112533	189449	98576	198767	146227	201848	103839	981	144096	196116	Phytochemical	0.35	1.15	0.05
22	C20 H23 O7 N1	390.15472	390.15512	-0.1485221	390.15466	54621	44487	38997	40681	45079	35778	15991	28839	40373	126914	64104	20479	43138	24279	21950	37110	22053	60049	54724	89322	113863	71057	29995	37705	23909	104491	14090	58614	27846	21532	25022	28705	30969	23430	128830	24699	35035	19230	15916	83312	79850	24464	3810	0	1081	60696	72756	0	24936	22783	48439	43716	36067	1339	35512	34723	21651	30340	22276	19301	33159	66361	53503	38788	17313	44750	31230	22946	110445	127436	143598	32903	22713	17835	17583	23738	811	15828	30733	47401	25335	43801	22449	51734	44299	24994	31948	28609	27690	24950	48463	48009	47066	58593	85893	0	41475	59050	26508	38138	43517	33169	17217	31370	43988	36156	31534	0	21515	62245	Phytochemical	0.35	1.15	0.05
2	C20 H23 O7 N1	390.15472	390.1554	-0.16156527	390.15466	7924	8991	7585	6558	8633	218310	4870	7951	8061	10259	11350	6281	7950	4618	5227	3076	8186	7562	8854	10134	19375	8760	7225	6296	2344	9892	1513	9049	6995	4545	7512	5929	7500	5434	16146	6551	6459	6026	8055	9010	15734	7687	217	0	0	5983	12165	0	5766	5073	6395	7169	6377	0	9904	5896	3480	6414	3457	6898	4287	7673	7954	7946	4639	7421	7944	12149	14620	13694	21834	6624	7178	5695	2451	5562	0	4401	9254	8808	6705	6988	5140	5880	8235	5235	6766	5046	5779	12335	4728	7878	11445	9064	6098	0	8433	8244	8045	5266	5360	5259	5898	6864	6223	8282	6068	0	5150	6779	Phytochemical	0.35	1.15	0.05
6	C20 H23 O7 N1	390.15472	390.15533	-0.13240963	390.15466	56053	59000	49678	48934	34039	28990	23567	41528	45016	165864	74806	24118	55540	22691	30146	45611	32714	45879	53241	135825	373632	88893	34473	51230	20722	89825	21039	63016	35368	33097	34099	38957	45704	33969	194499	34866	46472	28199	42485	81864	231802	25392	0	0	0	65775	96307	0	47038	33325	55438	56117	29064	0	51991	29752	19286	46066	25523	37787	42337	69168	54930	39735	15492	40063	30142	46795	108293	159057	195226	34925	34581	30321	21492	32054	0	24334	32869	37244	29187	38093	24811	56031	34333	26890	37148	25965	26549	52212	49411	52066	58714	70397	100459	333	53244	53499	28728	29649	37083	46757	22843	55367	38756	35622	31949	0	23686	58198	Phytochemical	0.35	1.15	0.05
12	C20 H23 O7 N1	390.15472	390.15524	-0.12677734	390.1547	151423	156743	151898	152971	81706	70539	101403	155659	105593	337617	184050	71265	89389	54707	80740	127247	123936	116674	133351	369818	425030	247707	101170	138419	85777	308651	66321	183964	123670	102054	116967	109157	143869	109897	445397	107326	124363	85815	124788	312632	348576	77790	2256	609	0	206630	215892	447	128158	118356	167514	154362	74610	645	121549	63411	53522	136506	124197	139795	137458	195988	128149	85616	43101	105686	83556	142855	346744	510990	478550	109670	108707	108631	96456	105728	303	82928	108734	130026	91645	129143	99956	169830	80662	57777	112639	62655	74844	201908	140405	170534	186133	161427	199321	774	159868	166046	82367	67608	62755	121302	77112	150330	99620	123769	71651	618	95242	130531	Phytochemical	0.35	1.15	0.05
18	C20 H23 O7 N1	390.15472	390.15515	-0.113233864	390.1547	195169	203144	201122	178746	142786	109711	83215	145342	115514	505318	279667	82323	179408	91738	99665	166702	98301	191266	195510	452017	470262	308357	121161	184401	106192	432333	76799	259430	133875	123693	120470	134442	171416	141268	547522	117120	165533	89635	109220	407119	332517	98442	5338	1179	698	226296	185807	1198	147561	113712	189102	184843	116754	1051	163730	110404	77006	148206	116771	97223	152172	276324	177860	119726	66597	150439	132456	115130	391791	561275	561676	132863	105017	100906	89573	103996	578	80561	129248	190349	104725	153426	114161	220599	128343	89883	135630	119483	116802	156956	215971	235741	257343	204600	324036	2057	199431	185082	103957	101449	111956	145767	76808	168767	121432	145493	90617	997	105666	172149	Phytochemical	0.35	1.15	0.05
4	C20 H23 O7 N1	390.15472	390.1554	-0.15778102	390.15466	17146	21411	18615	19198	13911	43448	7588	18205	19474	43068	29367	9915	24512	11310	10586	15826	14823	22275	25237	47606	56444	30383	13939	16706	8554	38671	9000	23378	12955	9945	13295	12182	16552	11110	59306	13264	17216	11603	21292	32978	41960	13694	0	0	245	28327	38306	0	13623	15671	20693	17763	12630	248	23156	13183	7399	13803	8225	14119	17234	24433	21529	18645	5876	17411	11245	18688	44708	43589	65023	12100	10863	11613	8973	11640	219	9786	16028	23947	13948	18305	10788	18871	17633	10746	14664	9616	11527	18920	17560	16875	25536	25675	37474	451	19534	23532	14105	15787	16326	14705	11179	22292	20867	12672	13016	0	9537	22910	Phytochemical	0.35	1.15	0.05
10	C20 H23 O7 N1	390.15472	390.15524	-0.1715985	390.15466	122409	121702	109444	101717	66862	62535	51787	100359	72297	315447	142895	57860	93787	50113	61718	99882	68915	85364	107762	301006	332624	175508	65372	113316	54270	223198	56911	118760	72534	78287	72043	86403	104569	74737	331418	76087	93653	57240	85838	222567	458606	54126	1396	0	0	154566	154087	0	93218	82424	118970	126580	59500	409	86837	55408	34090	98877	58961	82472	97128	133715	91309	72781	33119	82631	55556	86363	239968	369995	368818	74596	69806	69970	67015	77814	0	56246	80228	89868	69370	92651	71902	110841	61033	37712	78613	48476	54524	111240	99183	114141	138396	124351	175563	916	115229	111039	55391	50713	50275	96468	53888	121974	78525	87372	51207	0	60334	95917	Phytochemical	0.35	1.15	0.05
8	C20 H23 O7 N1	390.15472	390.1553	-0.12518664	390.1547	96124	88930	73440	100066	52393	45013	38273	60429	66173	483432	120260	40203	78653	32766	46235	68428	48467	61004	83077	238087	561364	145682	50475	157550	34990	142911	36381	86151	53283	50229	47076	68215	65830	49938	312723	49462	69291	38809	61196	188910	178978	35143	935	0	0	119374	130839	0	65431	56218	86149	86004	37753	0	74495	40325	29821	59657	35857	58677	69244	105613	76418	66706	29235	64361	44026	123418	179895	263888	292867	56638	52825	49948	34618	54971	229	38317	57400	83044	47646	57031	46551	92509	48325	25673	48366	37256	44832	194736	71059	95623	105684	93980	153271	403	94103	89042	48306	46611	46553	59439	32798	82088	49225	61832	43142	0	45022	80693	Phytochemical	0.35	1.15	0.05
26	C17 H27 O7 N1 S1	390.1581	390.1582	-0.08541145	390.15808	2833	3263	3900	3307	7058	2800	1789	0	0	0	0	5638	0	24639	0	0	0	0	0	0	0	0	6522	6403	0	0	2032	0	0	6732	9972	17160	5738	0	0	0	2588	8563	0	0	0	0	0	0	0	0	0	0	7458	0	4353	3417	4354	0	0	0	3368	8602	0	0	8582	0	0	0	2483	1719	4660	0	0	1835	0	0	0	0	0	7431	0	11627	4889	0	4936	0	0	0	0	0	5629	0	2488	2788	2840	1417	9174	0	0	0	3830	0	2749	0	0	9984	12708	0	0	5375	6238	0	4397	0	Organosulfur	0.4117647	1.5882353	0.05882353
24	C17 H27 O7 N1 S1	390.1581	390.15845	-0.14584108	390.15805	2911	2664	2569	2903	9730	6247	2792	7515	2514	0	0	1422	3407	22399	3104	7241	4093	6184	4307	3724	1741	1490	1745	7686	2177	0	1385	0	5826	4406	4946	4706	4439	5046	0	7426	2946	983	1537	967	1494	8851	0	0	0	3839	1651	0	5505	4827	2816	1480	10283	0	1577	1446	3558	5339	1763	1819	6814	1435	0	1335	5032	3156	8173	3468	0	1958	0	1917	3553	5355	6107	4447	0	2949	2721	0	1150	1444	2238	1100	1503	0	1540	3027	2849	2714	2342	3513	6908	0	0	0	1605	2832	5018	0	0	2563	1593	3494	1343	5483	10009	0	2336	0	Organosulfur	0.4117647	1.5882353	0.05882353
16	C17 H27 O7 N1 S1	390.1581	390.15854	-0.18733846	390.15802	2833	5717	4023	2533	4449	38821	0	3836	2368	3306	0	1690	5266	2922	0	5549	2935	5447	6225	5224	5033	5139	2879	4218	4592	0	3502	0	6317	3032	3947	0	3351	4906	2586	4908	5122	2353	3338	2521	4360	7662	0	0	0	6586	5248	0	3507	2369	4394	4278	5042	0	0	2930	2819	7237	0	1980	0	1716	0	1612	1466	4848	3667	4114	0	4851	3135	3021	3417	1565	4060	1999	0	1243	6015	5083	1345	1416	3403	0	4007	2899	3346	3110	1771	0	8442	12004	0	2784	7105	0	4259	4879	3759	2153	3389	7675	3349	7210	5656	0	3495	0	4360	4183	Organosulfur	0.4117647	1.5882353	0.05882353
16	C19 H23 O6 N3	390.16595	390.16684	-0.060887005	390.16592	431289	464737	450545	457400	359550	361359	247973	493838	499870	613554	312973	269048	647084	211513	454494	488010	348303	638481	717602	719913	648025	455583	443315	510336	382473	494558	176691	318687	477153	417007	419488	428481	551867	397518	738294	505057	522686	359859	362130	489793	339633	332950	8939	2297	926	414648	321001	1497	473280	441808	450901	470994	365236	2314	904478	382348	276809	359567	412015	251338	525166	327905	566299	512672	211789	457568	359883	354077	452095	709820	559307	447273	408853	446347	342468	409604	1224	329343	430323	276567	339571	262732	327671	311313	422728	300570	289078	279137	357688	393691	440163	377648	624153	275349	399997	2478	414793	508781	315701	304581	324548	535802	278533	485370	222320	447676	381840	1932	346839	645869	Peptide	0.31578946	1.2105263	0.15789473
8	C16 H27 O6 N3 S1	390.16934	390.17	-0.5338094	390.16913	1044	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	949	0	0	0	28602	0	0	0	0	1932	0	0	0	1072	0	0	0	702	727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1217	0	0	0	0	13001	0	0	560	0	0	0	0	0	0	0	0	0	0	0	0	0	1228	0	0	0	0	1002	0	0	0	0	0	0	0	0	Peptide	0.375	1.6875	0.1875
6	C17 H27 O9 N1	390.17587	390.17642	-0.25851446	390.17575	19066	21941	19366	21159	9910	7109	13413	30859	17514	21964	12564	13475	20728	8158	23514	20335	18463	20908	29106	31763	25053	23836	25587	30875	14068	12888	10949	0	22718	24449	17034	23130	30733	18988	26554	23078	23112	18023	16408	10401	15841	16680	0	0	0	19353	24439	0	19995	28257	22676	17984	10465	0	23743	16629	10387	18327	22673	14415	22042	7439	16753	17179	5828	13120	10767	22355	13673	11917	19069	20038	17091	26810	9367	16318	0	17233	13843	0	14158	11101	11341	8445	20597	14550	12379	10754	15625	21574	10130	22114	34785	13227	25121	0	19405	21423	8816	16787	18784	28508	13710	24011	9478	19312	14682	0	12832	26339	Lipid	0.5294118	1.5882353	0.05882353
16	C17 H27 O9 N1	390.17587	390.1763	-0.18588704	390.17578	225950	232167	237085	247197	207259	209137	155386	274676	348686	332964	140277	125064	497010	116261	270921	212433	120926	484092	496841	396881	345753	221429	259356	257427	205664	118893	100399	128622	297503	245454	218232	217713	313997	205081	425141	288158	287341	187826	134296	246617	108973	199746	6239	1360	926	202745	130284	678	234954	243839	235758	229142	233398	1399	752083	278178	157599	222837	251072	78946	261396	176549	391762	386083	113650	294314	222348	91735	138501	236968	145357	228034	226744	278165	140747	208033	478	179592	197161	129347	153798	109926	150428	128668	273678	185254	171235	134283	191990	85883	207235	263021	314421	138409	215344	2478	223434	288732	190751	171395	206170	301951	141180	252782	109697	204650	244960	1084	145917	447825	Lipid	0.5294118	1.5882353	0.05882353
6	C16 H27 O8 N3	390.1871	390.18768	-0.032119766	390.18707	64274	59625	58726	59559	2837	18885	4862	9978	2946	43009	114526	3820	5649	3309	8100	8887	4826	11953	4704	1834	1352	15019	5105	7749	5809	0	8460	1072557	8576	6057	7496	10263	8596	8588	6458	6038	11412	8313	7435	0	0	4493	0	0	0	2054	1916	0	8779	5296	51910	53535	2979	0	5167	1404	1381	8624	0	1654	7069	0	3323	1982	2094	5709	4676	5326	0	0	0	9389	6970	7262	2281	4466	0	4590	4486	248205	3747	1233	1050	0	8837	3641	4962	4843	5619	9010	4599325	2357887	12125	142767	50644	0	59164	49482	2645	1886	2634	8531	7150	2805	0	8021	2989	0	3430	6780	Peptide	0.5	1.6875	0.1875
2	C16 H27 O8 N3	390.1871	390.1878	-0.12824596	390.18704	17744	19454	16149	18357	6658	43421	6132	11534	7648	7103	74055	6659	19618	4984	7556	3417	9694	11784	8496	1682	2348	8277	6857	8894	3223	0	0	460920	17400	6293	12148	10307	19448	16853	3477	10862	14501	5224	10433	987	996	9907	0	0	0	2310	1473	0	12449	5906	17720	19263	9131	0	6699	4788	3948	13702	1874	1325	4135	366	9568	6450	3335	17098	9784	11022	0	824	431	12610	12416	8259	530	9832	0	6300	5398	378758	4344	0	1259	0	4637	4902	6726	12543	11121	12343	611228	292984	16002	94123	3100	0	17385	17598	4242	5839	5680	10685	7536	3871	919	12431	4422	0	6055	16322	Peptide	0.5	1.6875	0.1875
4	C16 H27 O8 N3	390.1871	390.18777	-0.08662698	390.18707	18681	22747	19846	17743	3033	7883	2949	4523	4492	15008	33143	0	5834	1183	4332	5282	6572	4672	4240	928	0	8531	4638	5373	3366	0	2751	174883	4699	3276	6136	3879	5987	2948	4291	4359	6603	0	9257	0	589	4515	0	0	0	1425	0	0	6286	4286	19293	17437	4348	0	5628	2527	2423	7530	1856	1129	5858	0	3402	3345	1230	5131	4149	6851	0	0	0	4839	3334	3719	0	3601	0	0	4247	159421	3492	917	1330	0	3237	3554	4295	2780	4162	6168	1635044	763676	11190	30869	15995	0	18896	20110	3413	3157	3550	6577	0	3172	0	6586	5893	0	2257	5965	Peptide	0.5	1.6875	0.1875
12	C16 H27 O8 N3	390.1871	390.18753	0.31255203	390.18723	0	0	1819	0	0	0	0	0	0	0	2803	1578	0	0	970	0	0	0	0	0	0	0	0	0	0	0	0	57745	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1906	3215	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	954	0	81800	79046	0	0	0	0	1520	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.6875	0.1875
22	C21 H27 O6 N1	390.1911	390.19153	-0.14487119	390.19107	103066	106087	97326	104218	97100	76737	46757	93143	81329	186494	151966	58181	89185	50071	68238	100649	79257	111635	113371	224919	231172	135146	72101	129031	74104	268710	43266	140536	96834	81062	81815	95352	106387	99177	172880	90970	113199	53004	84113	166813	171307	75808	4051	0	1646	117111	113506	0	102457	88625	109496	106212	81243	2032	82577	76996	51060	99788	72738	74285	111688	127746	86994	74666	41560	100480	85578	81772	232350	306309	312383	96901	71041	69377	60663	81840	1972	62320	80270	83949	59843	70835	62548	108557	87142	53784	83725	80583	71058	119355	112596	132874	142780	103191	152268	0	93081	105171	70265	72034	81249	108270	60744	117356	76861	104793	59738	0	75078	107535	Phytochemical	0.2857143	1.2857143	0.04761905
14	C21 H27 O6 N1	390.1911	390.1916	-0.2241901	390.19104	111212	124579	106108	113610	62937	54784	89469	120891	58376	187949	134790	73097	60135	41183	82452	137334	106613	68214	85005	240965	245646	154145	75261	126743	84787	220928	81875	730256	114808	106425	91758	114559	132517	96556	220556	119317	120556	73897	136804	172085	163923	63271	0	421	630	115778	122421	408	123122	90810	117060	94035	56208	578	58616	42551	41126	133081	66004	99324	85515	95415	66670	49891	42269	59332	62360	121363	193864	280979	267991	107984	81219	99163	107244	98812	232	78927	95583	95472	74594	70700	85117	115489	62485	39894	94456	63257	57846	172136	164542	130370	174774	96331	140530	0	105898	112583	51073	47133	48150	106537	66447	130896	75052	106758	41119	0	92596	62191	Phytochemical	0.2857143	1.2857143	0.04761905
6	C21 H27 O6 N1	390.1911	390.19168	-0.24207567	390.191	51912	59679	54079	52508	19761	22052	35435	80765	18962	112312	50324	35783	24125	14960	44003	70425	44842	30566	40009	131841	134421	73804	44605	83828	42878	73639	37783	36265	69729	58789	61321	70596	81219	61105	130698	65352	80452	36401	57248	76783	73727	25882	0	0	0	66653	64778	0	87506	63881	58653	56934	23074	273	25975	12995	14633	72421	8436	19100	66057	46657	24439	24206	16220	24102	32642	65745	61841	126662	114542	59549	58993	66507	48834	55110	0	38769	39482	38022	33512	22169	21947	55069	13598	15503	39462	26995	32608	69106	15916	17352	94189	44726	90291	0	53986	60149	10973	14942	14253	69756	39063	81729	30188	61135	12082	0	36937	26201	Phytochemical	0.2857143	1.2857143	0.04761905
4	C21 H27 O6 N1	390.1911	390.19174	-0.22411264	390.19104	23699	25351	23902	23242	8161	11619	16430	38751	8917	34037	18075	17962	8740	6961	21385	33435	28008	13498	17127	40720	46186	30910	22679	37358	17925	29357	19509	15558	28336	25514	28312	28006	30215	25290	43905	31689	31389	17919	31911	34868	32686	11915	0	0	0	29203	29742	0	30981	35802	24316	20691	10579	0	13859	4595	6722	26698	5602	9121	26586	20323	8656	10382	6018	10719	11407	33068	24105	36891	37881	26899	23871	32865	25939	23638	0	20664	20194	20064	20580	9974	14930	20408	7152	8216	19964	8939	13555	28100	16640	13700	43993	23448	35220	0	23578	27612	6416	5889	6673	30440	17706	42133	15079	22789	6536	0	19826	9737	Phytochemical	0.2857143	1.2857143	0.04761905
24	C21 H27 O6 N1	390.1911	390.19147	-0.16146573	390.19104	44633	40201	39623	44030	67302	27076	10600	34103	34910	82836	65466	21274	48200	24550	20037	34419	28021	46169	49758	94184	86424	49355	27813	42358	20072	100091	10982	64732	29878	27565	22043	29963	31327	0	86945	26433	35019	18960	22708	67335	63527	25679	0	0	0	52944	42247	0	36334	31809	45516	40595	43491	0	39738	29973	21634	35667	23039	17033	45723	55307	31200	30535	14824	47324	33576	25575	102055	113143	115376	35156	29470	26714	20986	24669	0	20853	27191	33935	26221	25437	19227	50105	40992	19248	31886	26986	26695	37006	40951	38847	46875	39748	55523	0	39147	45927	26972	26875	32119	29363	19619	35847	27214	40791	29084	0	21646	43277	Phytochemical	0.2857143	1.2857143	0.04761905
12	C21 H27 O6 N1	390.1911	390.1916	-0.22066112	390.19104	72754	77431	89603	84158	41074	36428	58537	86180	43768	188110	90646	48913	41603	25622	50766	79078	81036	50081	74099	231269	220485	118973	54782	85645	56538	166639	45353	93550	77421	70631	79153	64200	100514	61937	235896	70434	87700	47585	93293	137043	142559	41747	1260	0	316	97926	95390	0	79116	70620	83297	85177	44052	268	50486	24245	27768	95758	29094	59588	58261	69248	49325	38745	25527	52021	42510	96094	113607	262762	228597	61776	69586	62344	70086	63818	0	50275	55431	58559	56451	42012	48007	86286	33557	27477	64171	36254	49764	147343	91555	83938	130716	68830	107370	0	86824	89480	37396	30053	29929	79930	46028	76563	34821	73302	31904	376	62952	47487	Phytochemical	0.2857143	1.2857143	0.04761905
4	C20 H27 O5 N3	390.20236	390.20297	-0.18810551	390.20227	10179	11238	11005	9890	4124	0	9432	16756	5830	9463	4579	0	0	1969	12754	14666	13149	6886	8225	11670	15208	17017	12368	15236	14730	4926	11574	5534	13387	0	13202	12409	0	9494	13984	12798	0	11092	14816	11299	9595	6789	0	0	0	11645	9660	0	11426	13431	9206	10183	6199	0	20094	1539	5035	0	4978	3952	14167	8303	3213	7298	3374	5840	5705	13231	4360	7060	5926	0	0	0	11088	8350	0	9496	13257	10109	12397	5157	9651	9399	2927	5375	11619	7474	6139	17330	20214	16597	0	7872	13146	0	10386	13974	4877	1254	1699	13744	7742	18182	6106	13212	5378	0	11475	4137	Peptide	0.25	1.35	0.15
8	C20 H27 O5 N3	390.20236	390.20288	-0.19030315	390.20227	19654	25141	17413	19372	6445	0	16723	23099	4696	17105	11259	12376	3911	4526	16730	22463	22676	7227	14036	30409	28572	30934	17080	31169	21698	12654	13237	21899	0	17888	16741	26220	0	19629	32433	0	22594	14938	27447	31330	24764	7232	0	0	0	19169	21063	0	26135	20049	19858	20944	7750	0	6234	2054	5264	22436	3645	9645	29564	12669	4163	4774	5243	7993	9631	25834	12184	21529	17719	0	18486	0	23387	0	0	0	17809	39067	14482	8068	9363	17656	2830	5042	17391	10508	10035	34289	77233	42448	50449	18376	29748	0	25709	0	4468	1943	3072	24651	13140	32380	8368	26452	4971	0	0	7371	Peptide	0.25	1.35	0.15
6	C20 H27 O5 N3	390.20236	390.20288	-0.22155817	390.20227	20763	20587	19218	20155	5010	0	14983	27376	3614	22980	10467	12003	5074	4028	19297	24444	20153	8081	14332	24505	28897	23007	16729	31233	21240	8806	14661	10006	0	22083	25305	26572	29825	0	26205	0	26380	16332	22900	22991	20769	9169	0	0	0	20758	20629	0	29703	23818	19963	20634	9513	0	8850	1796	5559	31079	3718	6307	27126	11509	4591	3882	4572	6930	8904	25545	7065	17935	13443	18728	17678	19714	18465	19516	0	12441	16473	20416	14595	6795	10142	16264	3459	6746	15291	10708	11690	36728	63581	35906	43056	17372	30681	0	18606	0	2348	1604	2127	0	11779	30840	9728	21658	3518	0	17797	5289	Peptide	0.25	1.35	0.15
10	C18 H31 O8 N1	390.21225	390.21268	-0.24809392	390.21216	11385	8517	9868	12340	7648	7237	10690	16308	7111	3250	0	11642	9137	3290	11807	13472	15248	10207	14131	8348	5348	6857	9930	17438	15161	4090	10019	6149	18096	17898	11365	17080	14557	10960	6741	16873	10889	10684	14624	3374	4702	8780	900	0	0	8716	4929	0	13551	16728	6664	8899	5776	0	15547	11327	5560	14260	7510	6280	14153	3007	7364	6602	4558	8481	7232	10394	0	2623	0	8217	10352	19542	9858	10600	0	7310	14196	0	9912	5910	12384	4203	12571	9469	15671	3887	6768	12153	11624	9163	19036	3696	0	0	9052	14208	4377	7470	15229	20018	8614	16029	0	7333	7880	0	12775	9365	Lipid	0.44444445	1.7222222	0.055555556
2	C18 H31 O8 N1	390.21225	390.21292	-0.14563747	390.2122	4302	4924	4456	4707	1563	0	5401	7312	1849	1437	1952	16369	2542	980	2594	2929	19289	2529	2809	2254	3051	2138	2529	7158	2047	0	1362	0	20893	13397	11260	14747	18502	14671	3455	16457	15921	3905	24941	988	1335	0	0	0	0	1671	910	0	28109	5080	4260	4722	2042	0	2201	1213	2706	7416	1569	958	3361	634	1230	2210	4734	2455	2526	26494	0	933	1329	5294	11483	8970	8361	13896	0	5185	2141	3095	2004	0	1072	762	851	1467	3238	2390	6021	2847	2677	4234	4112	1175	850	0	5336	5543	740	1332	1284	12772	10827	5772	775	3786	1089	0	2424	1849	Lipid	0.44444445	1.7222222	0.055555556
12	C18 H31 O8 N1	390.21225	390.21268	-0.22977854	390.21216	8798	6460	7550	9115	11137	9856	17998	28741	13809	4167	0	13761	17355	10135	22053	12025	28864	17474	19400	10896	13089	8523	26229	10859	26237	8277	7177	0	35605	14293	20514	11246	24016	12548	9459	19355	15139	17694	26539	5405	0	14972	1301	0	0	11264	6690	0	11167	15611	6343	9030	14207	289	27464	14249	9999	20013	14080	10503	0	3389	14844	12301	9645	14785	16280	20349	0	8335	7049	12262	14969	17751	12555	12207	0	18843	25376	0	19862	8308	22653	13251	23877	14355	22152	7426	14717	16845	5778	9174	25893	0	1651	0	8598	11045	7279	15412	22072	10570	14450	6209	0	17673	18764	0	17764	15828	Lipid	0.44444445	1.7222222	0.055555556
16	C27 H28 N1 Na1	390.2192	390.21985	0.32931024	390.21936	0	0	0	0	0	0	0	5525	0	0	0	0	0	0	0	2264	0	0	0	0	0	0	0	0	0	0	0	0	13743	10496	4868	8167	0	9095	0	13007	0	0	0	0	0	0	0	0	0	0	0	0	9268	5958	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7907	5354	6338	61409	1637	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.0	1.037037	0.037037037
10	C17 H31 O7 N3	390.22348	390.22348	0.030938335	390.22348	0	0	0	1763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4696	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53493	38030	0	1404	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4117647	1.8235294	0.1764706
6	C17 H31 O7 N3	390.22348	390.22406	0.009259204	390.22348	3176	6178	3942	3408	662	17102	0	1523	476	0	0	0	787	0	1545	2555	0	2069	1011	0	0	1327	855	1694	1417	0	0	26913	2252	1114	1351	1746	2670	1392	0	821	2149	1137	0	0	0	1989	0	0	0	0	0	0	1561	1122	5516	3420	976	0	620	608	626	4040	0	0	1214	0	0	0	0	892	1184	0	0	0	0	1351	744	796	0	0	0	769	757	22471	0	0	0	0	0	0	846	869	0	2285	337558	296831	2151	3400	0	0	4242	4383	553	0	0	1759	540	0	0	1009	422	0	1084	0	Peptide	0.4117647	1.8235294	0.1764706
8	C17 H31 O7 N3	390.22348	390.2242	0.16020925	390.22354	5622	5476	6622	4171	0	6522	0	1411	0	0	1270	649	0	0	1140	0	0	1459	0	0	0	0	0	1477	1056	0	0	32340	1103	0	0	0	1322	986	0	0	1451	974	0	0	0	1019	0	0	0	0	0	0	1014	0	3799	8800	0	0	0	0	0	1551	0	0	0	0	0	0	0	0	0	0	0	0	0	1192	863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	843	0	609074	498968	2828	3968	1317	0	6747	4703	0	0	0	0	0	2146	0	875	0	0	1349	829	Peptide	0.4117647	1.8235294	0.1764706
4	C17 H31 O7 N3	390.22348	390.22412	-0.026688509	390.22348	2158	1272	2138	1494	385	3010	610	816	449	0	0	349	2662	0	1100	1191	0	5305	829	0	0	787	450	630	1042	0	840	3879	1072	567	1026	1381	1320	893	0	1211	1876	822	1086	0	0	413	0	0	0	0	0	0	0	864	1370	1203	351	0	1336	312	342	1303	0	0	0	0	827	515	0	2129	357	0	0	0	0	975	1015	979	0	848	0	598	700	7771	620	0	249	0	0	502	905	0	466	1947	90159	70651	2087	4265	0	0	1069	1288	0	410	806	0	662	0	0	718	733	0	636	2421	Peptide	0.4117647	1.8235294	0.1764706
4	C22 H31 O5 N1	390.2275	390.22815	-0.22048426	390.22742	11283	11898	10730	11828	737	2279	9672	23728	829	8977	4904	11473	433	0	12776	19602	17098	1798	2883	15007	13544	11729	10764	22342	19428	4888	11477	3746	18437	15011	15116	17545	14853	13612	10389	22284	16304	10068	19977	8443	6566	4006	0	0	0	7830	8645	0	21615	21811	11744	9534	2587	0	1130	291	2064	13779	464	1185	16257	5832	422	1046	1875	1701	4204	20652	3219	3370	4658	14982	13673	22743	15191	14829	0	12460	9873	8949	11618	1671	3181	7979	1361	2638	8214	3206	5329	22981	13415	5562	26465	9025	14095	0	10495	14436	0	288	472	15036	8698	19128	3929	16398	690	0	11217	777	Lipid	0.22727273	1.4090909	0.045454547
26	C22 H31 O5 N1	390.2275	390.22794	-0.13048843	390.22745	25370	18303	28015	21004	27683	19855	13176	19424	19985	23588	25590	12642	26354	13149	12772	21708	18432	17320	33104	39383	39509	20672	11972	26432	15388	62594	7838	33961	17848	24701	15749	20109	28248	24470	34341	19675	26886	10735	16288	37817	34811	32146	0	0	0	17387	18531	0	21396	18680	24232	18573	19001	0	21827	13523	9045	30320	16300	16721	22109	22058	20474	17373	8292	29062	24871	24428	63844	52623	59052	18565	21183	22078	16575	17940	0	11891	16338	23118	11807	14644	15168	26314	27605	9846	27278	18338	13696	30720	26768	28520	34392	21002	19292	0	22118	23125	17368	24861	25621	29929	10370	29235	17555	18604	27738	0	16425	25164	Lipid	0.22727273	1.4090909	0.045454547
6	C22 H31 O5 N1	390.2275	390.22806	-0.22219177	390.22742	34727	38178	32422	37497	3269	7507	24769	76024	3415	36082	18801	30365	3054	2024	39816	59643	40134	8264	13715	54916	45470	32491	30466	62381	36015	16588	30907	16631	64220	62507	60387	71348	67648	57540	48188	64767	74587	29161	55826	35108	15545	14141	0	0	0	30367	22166	0	73197	64502	37760	33374	7656	0	5775	1557	5938	53603	0	1401	60460	17606	1400	3673	6586	6116	14458	56234	11612	21788	22684	64332	63089	77507	45631	50371	0	37115	24546	17344	23957	3756	5230	23009	2532	7597	19868	13144	18638	50184	43535	16434	63008	24423	40361	0	39095	33547	2444	977	1826	67503	31477	59838	9908	56696	1934	0	26412	2617	Lipid	0.22727273	1.4090909	0.045454547
18	C22 H31 O5 N1	390.2275	390.22787	-0.2229166	390.22742	47433	53305	53322	50979	33451	30583	36608	47753	18275	45347	48384	32635	21394	22538	33172	80728	70493	26646	45534	77879	67622	60080	34000	63060	35028	106731	37167	43526	46120	52077	48334	58578	58396	45730	54235	50636	54495	29078	79582	53798	68892	31324	589	0	0	35963	46419	630	61882	46456	49525	48691	31996	295	26741	28447	21620	63310	23327	48856	55579	28613	27200	17911	20684	29170	34519	89478	79665	96295	134436	43054	37966	47770	59432	48553	0	26209	42852	44042	36461	24475	28221	33113	33835	21302	52242	36561	33187	131947	81186	49639	90512	41806	62171	552	49632	46797	26045	27191	34391	63988	27300	59729	20877	51736	28710	0	49058	20786	Lipid	0.22727273	1.4090909	0.045454547
10	C22 H31 O5 N1	390.2275	390.228	-0.21126163	390.22742	47801	47383	41883	45117	13514	15349	37861	86987	8928	66999	37774	40440	6992	10915	34576	71899	48219	11760	21112	96327	75323	47803	37762	67678	37325	33703	41923	39393	72774	74536	84672	81308	92031	72085	80518	78431	92799	32622	60064	68373	28417	21768	0	0	0	36585	34847	0	81801	60736	45029	45057	15577	0	7614	3467	8740	66136	0	6538	62645	21981	5713	7669	11745	13463	22343	74821	25591	60417	53477	71522	66569	81082	59518	68562	0	45576	32433	28818	34251	4586	4242	31632	4788	9576	31356	20286	26604	71926	70141	15871	90010	27738	56229	0	47519	44427	8302	5981	3781	79847	40135	60563	14219	61394	6100	0	30020	6498	Lipid	0.22727273	1.4090909	0.045454547
12	C22 H31 O5 N1	390.2275	390.228	-0.2007837	390.22742	30517	30576	35196	30856	9336	12222	22117	45935	6135	50625	27012	24468	5622	5146	25678	47574	39853	7856	19711	67115	61926	21413	26176	45431	28653	34005	24396	28682	42120	49309	44287	56720	60707	49459	56090	47270	51799	27686	41173	42854	16375	11377	0	0	0	24051	23579	0	54200	49943	30489	36168	12646	0	7465	3331	6978	38434	0	0	34780	13907	4181	5863	7487	9285	14652	50601	21372	53224	45221	41900	49993	51705	46646	50612	0	30430	23488	0	27882	2347	2832	28592	4483	5692	26311	13666	17870	64604	48038	8229	52254	20942	37677	0	32491	31789	5142	5249	5159	48940	25637	28564	0	46350	4974	0	23950	5278	Lipid	0.22727273	1.4090909	0.045454547
8	C22 H31 O5 N1	390.2275	390.22803	-0.21604015	390.22742	66699	70168	57484	64860	8316	14747	46682	117562	8304	66932	36909	57521	5748	4214	69116	88914	65305	11836	26666	101931	89890	52472	55408	100659	62903	30589	53227	35120	123880	105608	100707	140669	133742	104486	96207	125232	121728	57945	79706	66065	21704	26018	0	0	0	49285	35190	0	141350	97918	61193	60684	18539	0	11928	3786	11283	92140	0	2212	84968	24299	5713	11765	14052	12333	24115	90451	21281	54177	43663	116491	117519	133231	77185	112204	0	72108	38595	38230	38505	5294	8199	43065	7497	8982	33635	24075	31731	79344	64493	20530	116051	37588	78548	0	62007	62179	6261	2557	3881	124446	60187	93913	14870	78102	7041	0	45804	6657	Lipid	0.22727273	1.4090909	0.045454547
14	C22 H31 O5 N1	390.2275	390.22794	-0.26512602	390.2274	22740	25554	25280	26948	6999	9035	14696	30127	4355	26157	16828	15812	4555	8877	20163	39612	31613	4876	9893	40310	47379	17847	17065	32232	22887	31884	20736	16011	24073	26595	30671	37807	37433	23915	39748	32832	31026	17189	24301	31559	21074	11796	0	0	0	19600	15726	0	25074	27185	25485	21737	7590	0	9912	19170	8152	39676	0	14105	30955	10325	5362	6046	5383	8640	8966	38315	18605	43930	42060	26024	24630	30727	30795	25998	0	19491	19713	15589	16363	5508	8141	15774	6139	4189	27636	10990	15694	59605	42607	10687	64851	13983	28844	0	23687	24063	5510	73594	76616	34990	17356	28536	0	30164	8247	0	19992	4857	Lipid	0.22727273	1.4090909	0.045454547
16	C22 H31 O5 N1	390.2275	390.2279	-0.2369883	390.22742	28662	27470	28405	22327	10399	7994	24094	31097	7659	37964	24971	21765	10356	10984	18485	39943	47758	12687	17851	46370	51292	29903	21084	37937	26353	55647	22283	23354	25863	32700	21723	27863	32326	23279	36887	28382	26826	16159	48208	31460	33642	14502	628	0	0	17984	21694	0	29305	31865	28968	25983	11495	0	6275	13591	10493	39840	5972	25270	26595	14094	10545	7154	8041	9272	11690	47519	38735	54919	69865	26584	29190	26373	38562	27691	0	14720	28423	24567	21064	7894	13650	21745	10438	9310	34933	12423	11240	95608	45181	23461	53403	19970	35178	0	29785	25876	9279	21618	19642	34785	14348	23186	12928	32220	9325	0	28672	12496	Lipid	0.22727273	1.4090909	0.045454547
12	C21 H31 O4 N3	390.23874	390.23914	-0.10967149	390.23868	0	2351	2774	0	0	3389	0	1194	0	0	0	0	0	0	2305	7741	0	0	0	0	0	0	5217	7221	7219	0	0	15732	1377	0	1262	0	2869	0	0	0	0	2424	0	0	0	0	0	0	0	0	0	0	0	0	4068	2342	0	0	0	0	0	7357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1387	0	0	0	0	0	2307	34615	2197	0	0	0	0	0	0	1634	1579	9375	328819	40028	5250	4114	1949	0	2958	5316	0	0	0	0	1537	0	0	5151	0	0	3544	0	Peptide	0.1904762	1.4761904	0.14285715
14	C21 H31 O4 N3	390.23874	390.23935	0.044249173	390.23874	3342	3123	0	3387	0	0	0	0	0	0	4182	0	0	0	0	0	0	0	0	2030	0	0	0	3199	0	0	0	22142	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4919	2915	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1232	0	0	0	0	1543	0	21463	0	0	0	0	0	0	0	0	0	0	558351	52208	0	8804	1749	0	5155	3212	0	0	0	0	0	0	0	1270	0	0	1613	0	Peptide	0.1904762	1.4761904	0.14285715
16	C21 H31 O4 N3	390.23874	390.23883	-0.48256075	390.23856	0	2191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2140	0	0	0	0	0	1800	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	109933	5552	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.1904762	1.4761904	0.14285715
24	C19 H35 O7 N1	390.24863	390.24887	-0.21158454	390.24854	1754	1646	2380	0	2168	1740	15681	0	0	2700	1184	0	2203	3327	0	2456	0	3095	0	0	0	0	0	1372	0	0	8708	19746	0	0	0	1139	2892	2563	0	1298	1698	0	0	1371	0	1631	1840	0	0	0	0	0	2227	0	2574	0	1204	0	1680	1157	0	1991	1305	0	1664	0	0	946	2829	8295	2714	0	0	1879	0	1106	911	2604	0	0	0	0	0	7351	0	2199	12688	5968	0	0	1188	0	0	0	33912	22956	2566	0	0	0	1154	2601	0	0	0	0	0	0	14693	1030	1335	0	1463	2079	Lipid	0.36842105	1.8421053	0.05263158
22	C19 H35 O7 N1	390.24863	390.24893	-0.26018363	390.24854	3710	3222	2851	3645	2639	3419	47793	2004	0	0	2328	0	2725	5463	2684	0	3016	5843	2053	0	0	0	1986	0	3867	0	25235	19821	3832	2292	1640	0	4352	2500	2364	4024	3069	2911	0	0	0	0	0	0	0	0	1940	0	5992	3422	2374	3367	1419	779	1785	2904	0	4252	1594	1273	1439	0	2662	0	7362	9485	9019	0	0	0	0	1361	3098	2625	0	1902	0	0	1251	12710	0	2892	34136	17536	1606	1236	0	1308	1792	3120	24282	12423	4071	2305	0	0	3345	2286	0	1172	0	3689	1236	1734	13495	2879	0	0	4277	5514	Lipid	0.36842105	1.8421053	0.05263158
20	C17 H35 O3 N5 S1	390.25333	390.25333	-0.21919975	390.25327	0	0	0	0	0	0	0	3817	0	0	0	0	0	0	0	0	0	0	0	0	0	1301	0	0	0	0	0	0	0	0	0	0	2535	0	1993	0	2274	0	0	2285	2633	0	0	0	0	0	0	0	1673	0	2500	0	0	1332	0	0	1550	2084	9148	1807	0	1470	2283	0	0	2621	0	0	0	0	0	3490	1605	1666	1551	0	0	0	0	0	0	0	0	0	0	0	0	1634	0	2465	2196	0	2258	0	0	0	2033	0	0	0	0	0	0	9778	24612	0	0	0	0	0	Peptide	0.1764706	2.0588236	0.29411766
0	C25 H31 O1 N3	390.254	390.2544	-0.28663814	390.25388	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8033	0	0	0	0	0	0	0	0	0	0	0	0	0	1130	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24309	0	0	0	0	0	0	0	0	0	0	11554	1387	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.04	1.24	0.12
6	C18 H35 O6 N3	390.25986	390.26013	-0.37301803	390.2597	654	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1084	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7955	0	0	0	0	0	0	0	0	0	1053	54321	8873	0	758	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.9444444	0.16666667
18	C23 H35 O4 N1	390.2639	390.26422	-0.28608862	390.26376	0	2011	0	2732	0	0	1445	9090	0	0	0	12579	0	0	2173	11612	1611	0	0	2446	0	0	0	1209	0	3452	3682	2108	4197	7776	7332	3008	0	0	0	2038	2498	1078	0	0	0	0	0	0	0	0	1640	0	7951	15925	0	2297	0	0	0	0	0	3473	0	0	6803	0	0	0	0	0	0	5015	0	0	0	2139	2280	3079	2788	4760	0	11202	1481	1765	0	0	0	0	0	0	0	0	0	25942	4618	0	5254	0	1805	0	1598	0	0	0	0	0	7836	2096	0	2382	0	0	1200	0	Lipid	0.17391305	1.5217391	0.04347826
14	C23 H35 O4 N1	390.2639	390.2643	-0.1971571	390.2638	5663	6436	7550	5465	0	4377	3822	11726	0	4132	4101	4541	0	0	13426	21043	4959	0	0	8854	4209	0	3928	8572	11319	6073	11444	0	14810	16810	15092	19184	14871	12007	5223	18001	9776	12140	2743	8383	0	2310	0	0	0	2712	3786	0	21260	13639	5677	5715	2192	0	0	0	0	18278	0	0	0	1971	0	0	1769	0	2451	13430	0	5882	2424	14884	16460	25461	9329	12213	0	9873	1826	0	2636	0	0	4454	0	0	7267	3229	4141	82378	16277	0	68368	3176	12477	0	5074	7616	0	0	0	15880	8705	4322	0	26956	0	0	3031	0	Lipid	0.17391305	1.5217391	0.04347826
12	C23 H35 O4 N1	390.2639	390.26437	-0.18274064	390.26382	11401	9682	10199	11521	1123	1972	9371	19948	0	7480	5624	12395	0	788	9086	19370	9887	0	2721	11119	5723	5242	9198	12194	18075	3736	12248	0	13446	18100	22498	30368	16454	18004	9518	21659	19752	10788	8782	8278	0	3325	0	0	0	5708	3490	0	19748	26072	10544	8563	3916	0	0	0	817	14599	0	0	21382	0	0	0	0	0	2111	23327	0	4408	2840	18175	21417	29816	9609	16969	0	15911	3815	0	4375	0	0	3927	0	1281	5577	3138	4571	118363	25251	0	69867	3176	11595	0	9417	12179	0	0	0	17228	13069	4651	0	24603	943	0	7334	0	Lipid	0.17391305	1.5217391	0.04347826
16	C23 H35 O4 N1	390.2639	390.26428	-0.15864511	390.26382	2315	1766	3730	3441	0	0	2315	4693	0	1609	3368	2955	0	0	2352	14889	4237	0	0	2974	0	0	2102	4053	7306	2416	5665	3541	2723	6465	7372	3555	6755	6554	0	5426	4947	2903	1913	1495	0	0	0	0	0	1275	0	0	1926	4549	0	3768	1763	0	0	0	0	7698	0	0	7286	0	0	0	0	0	0	8592	0	3238	0	4998	2629	2961	5647	4690	0	3413	0	0	0	0	0	2073	0	0	3387	0	0	57327	13895	0	39404	2134	0	0	2755	7047	0	0	0	6694	2505	0	0	47220	0	0	4315	0	Lipid	0.17391305	1.5217391	0.04347826
8	C23 H35 O4 N1	390.2639	390.2643	-0.21655855	390.2638	7821	10459	6806	8636	0	0	6774	16503	0	2788	2004	7606	0	0	5091	15545	48226	0	872	5457	3656	1994	6032	13366	9638	936	9104	2315	13067	12470	11932	11319	56834	8499	3180	9645	96899	5961	40352	3008	0	2056	0	0	0	0	2212	0	16943	15841	10328	6127	683	0	0	0	475	11634	0	0	11199	0	0	0	0	0	1754	48417	0	1277	0	11699	7984	12336	12140	10057	0	5851	6783	2619	5959	0	0	3311	0	0	6628	1117	1947	28548	10988	0	22128	0	7730	0	7454	8164	0	0	0	75461	7454	4445	0	18198	0	0	6872	0	Lipid	0.17391305	1.5217391	0.04347826
6	C23 H35 O4 N1	390.2639	390.2644	-0.19742393	390.2638	4118	3445	3624	3679	0	0	7016	11353	0	2209	2003	4202	0	0	3581	6513	16057	0	0	4125	3929	834	2882	7067	5352	0	8244	0	4658	7174	8324	5650	19301	5043	3255	3661	14707	3875	17725	0	0	984	0	0	0	1585	0	0	8796	9246	5353	4214	0	0	0	0	589	7559	0	0	5735	0	0	0	759	0	634	24549	0	0	0	4193	7123	6199	7678	4699	0	4173	3035	0	4168	0	0	1641	0	0	2271	0	1007	14348	3574	0	12248	612	1113	0	3553	4344	0	0	0	15023	4523	2011	0	12206	0	0	4995	0	Lipid	0.17391305	1.5217391	0.04347826
26	C23 H35 O4 N1	390.2639	390.26428	-0.18987684	390.26382	18436	16041	11661	14301	16155	6952	12143	17781	8482	9437	24204	8427	6329	5470	6835	24202	22670	6342	20382	21474	18534	17116	7862	10269	17653	47299	12418	24216	29061	26632	17976	22112	22320	19968	13654	34471	16329	9109	22186	16073	17161	9301	0	0	0	14480	14484	0	19221	13965	16793	16881	10406	0	11283	7010	4569	19056	12324	11434	20098	9864	3849	4977	4493	12866	12785	26233	36412	22384	30560	7848	26044	26324	9954	25138	0	8778	12775	25129	4488	10265	13279	17470	8685	6479	28721	9634	9310	77941	24777	26250	27563	19523	15536	0	16672	14042	6457	12341	6887	23828	8931	21015	11758	19463	8997	0	17069	4288	Lipid	0.17391305	1.5217391	0.04347826
24	C23 H35 O4 N1	390.2639	390.26425	-0.20840645	390.2638	16412	20813	14503	20228	18337	8620	10095	15418	7802	16852	24844	10870	9320	7338	5868	29702	34312	8120	27375	27861	26476	12781	9909	15966	18253	52606	14369	29812	21366	28908	16778	22332	18748	19578	10219	27905	17899	10616	34312	21597	26739	9889	0	0	0	8824	14742	0	29192	19457	17602	17608	14358	0	8545	7014	5954	27654	11187	15344	22738	9668	5957	5169	5228	12220	14520	41137	30338	28924	44292	12462	27394	27873	26254	32327	0	9532	19132	23266	9608	11218	11539	17769	10398	10195	32332	14522	15469	67775	32632	27821	28199	17190	17748	0	15707	22218	10320	7919	11300	31217	9487	19946	10688	22100	9348	0	20326	5566	Lipid	0.17391305	1.5217391	0.04347826
22	C23 H35 O4 N1	390.2639	390.26425	-0.2018704	390.2638	7498	6403	9261	6933	7106	3132	10090	5596	2831	5971	10979	5106	3775	0	3515	13970	22332	4186	6564	4658	6142	5526	2593	5934	6813	23055	7060	11550	5829	8463	6825	8929	10725	7656	5998	9129	7566	7615	22599	6209	9474	4949	0	0	0	2110	7289	0	8993	7071	8061	6538	4711	279	3528	3744	3543	11396	2385	8344	7287	3111	0	1417	2325	4893	5731	28005	12752	10890	20318	2951	6365	7636	14176	9036	0	4356	9875	11070	5839	3710	2843	4516	7430	1648	18325	7688	5304	50832	12320	9513	12984	2436	11071	0	5468	9826	2637	2443	4263	11121	6306	6503	3780	11663	2910	0	13586	2905	Lipid	0.17391305	1.5217391	0.04347826
16	C22 H35 O3 N3	390.27512	390.27588	-0.33441293	390.275	2287	0	0	0	0	0	0	2887	0	0	0	0	0	0	0	38295	0	0	0	0	0	0	0	28144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17492	0	0	44523	0	0	0	0	0	0	0	0	0	0	0	0	1495	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.13636364	1.5909091	0.13636364
20	C20 H39 O6 N1	390.285	390.28534	-0.14107366	390.28497	2501	0	0	0	0	0	3793	0	4662	0	0	6540	0	0	62740	10261	12884	0	0	0	0	0	0	0	1678	0	3173	0	0	0	0	0	0	0	0	0	0	97482	1424	0	0	0	0	0	0	0	0	0	0	0	3814	0	0	0	0	0	959	0	0	0	0	0	0	0	8210	0	0	99987	1425	0	0	0	0	0	1456	0	0	0	4895	0	4481	0	0	0	1943	0	6233	0	0	12164	6636	5047	0	0	0	0	0	2683	10538	0	0	0	2507	0	0	2120	0	0	18391	0	Lipid	0.3	1.95	0.05
26	C20 H39 O6 N1	390.285	390.28485	-0.44229722	390.28485	0	0	0	0	0	0	7024	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2906	7542	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2530	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13096	20277	0	0	0	0	0	0	0	0	0	0	0	0	7534	0	0	0	0	0	Lipid	0.3	1.95	0.05
18	C24 H39 O3 N1	390.30026	390.30054	-0.1250755	390.30023	0	0	0	0	0	0	0	0	0	0	0	981	0	0	0	3392	0	0	0	0	0	0	0	0	3657	0	2013	0	0	2234	2918	0	2616	0	0	0	1648	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1282	0	1912	1603	0	0	0	0	0	0	0	0	0	0	0	3577	0	0	31026	0	0	0	0	0	0	0	0	0	0	0	1966	1346	0	0	0	0	0	2628	0	Lipid	0.125	1.625	0.041666668
12	C24 H39 O3 N1	390.30026	390.3007	-0.31316364	390.30014	0	0	0	0	0	0	0	2589	0	0	0	0	0	0	0	4754	0	0	0	0	0	0	0	0	4007	0	1497	0	1560	1040	2704	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1878	2515	0	0	0	0	0	0	0	3250	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1083	0	0	0	0	0	0	0	0	0	0	0	0	3194	0	0	33125	0	0	10356	0	2137	0	0	0	0	0	0	0	0	0	0	1779	0	0	0	0	Lipid	0.125	1.625	0.041666668
16	C24 H39 O3 N1	390.30026	390.30063	-0.13769536	390.30023	2934	2834	1786	2883	0	0	7199	8408	0	0	0	9405	0	0	4275	40727	3505	0	0	0	0	0	3289	2207	11545	0	17047	0	9553	12729	15007	8872	0	5677	0	9544	6320	4427	0	0	0	2756	0	0	0	0	0	0	11552	8936	1773	1869	0	0	0	0	0	12156	0	0	25696	0	0	0	1962	0	0	14821	0	0	0	6892	5461	3457	16379	7562	0	8025	4250	0	2861	0	0	0	0	0	8723	2086	3128	29695	4581	0	0	0	0	0	1956	2877	0	0	0	7497	6710	0	0	0	0	0	3494	0	Lipid	0.125	1.625	0.041666668
14	C24 H39 O3 N1	390.30026	390.3006	-0.20473842	390.3002	0	0	0	0	0	0	0	6216	0	0	0	4358	0	0	0	14583	0	0	0	0	0	0	0	0	4285	0	1169	0	0	0	5400	0	0	0	0	1739	0	1392	0	0	0	0	0	0	0	0	0	0	1975	9225	0	0	0	0	0	0	0	4417	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1036	0	1344	0	0	2642	0	0	0	0	0	0	0	0	2849	0	0	31191	0	0	7262	0	0	0	0	0	0	0	0	2348	2725	0	0	0	0	0	0	0	Lipid	0.125	1.625	0.041666668
24	C24 H39 O3 N1	390.30026	390.30038	-0.32203463	390.30014	0	0	0	0	0	0	0	1424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1536	0	0	0	0	2284	1386	0	0	0	0	0	0	0	1607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1103	0	0	0	0	0	0	0	12715	0	0	57049	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3828	0	Lipid	0.125	1.625	0.041666668
8	C24 H39 O3 N1	390.30026	390.30078	-0.1933306	390.3002	961	1103	0	1143	0	0	0	0	0	0	0	0	0	0	0	10827	0	0	0	0	0	1191	0	4867	2824	0	0	0	0	0	0	0	0	0	0	0	0	731	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6995	0	0	4637	0	0	0	0	0	0	1003	0	1316	0	0	0	0	0	0	0	0	1631	0	0	0	0	0	0	0	2363	0	0	27080	0	0	18902	0	0	0	872	0	0	0	0	0	0	0	0	4654	0	0	1676	0	Lipid	0.125	1.625	0.041666668
20	C17 H10 O11	391.0296	391.03012	0.090086386	391.02963	0	0	1500	0	7434	3983	0	0	5653	0	0	0	12507	2649	0	0	0	5711	6253	0	0	3160	2134	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1208	578	0	0	0	0	1666	0	0	0	0	6195	0	4031	6362	4040	0	0	0	0	0	13301	5630	1784	6307	1419	0	0	0	0	0	0	0	0	0	290	0	1418	1838	1620	0	0	0	14196	3572	0	2733	1616	0	0	0	0	3718	1787	0	0	0	2248	14720	11988	0	0	0	0	0	6401	0	1302	20547	Phytochemical	0.64705884	0.5882353	0.0
28	C17 H10 O11	391.0296	391.0299	-0.13560687	391.02954	5167	5207	5829	7261	18422	7900	2559	0	12485	0	0	3899	28046	8751	5191	2844	0	28939	22592	0	0	1293	8757	2312	0	0	3250	0	0	0	2272	977	2602	0	745	0	2647	3261	0	0	1380	2651	1282	0	0	0	0	1454	1044	0	4835	6810	11307	0	14447	12552	4210	2044	0	0	2232	0	32688	14235	5147	20815	5798	2321	0	0	0	1297	0	0	0	0	0	2108	13287	0	12277	0	0	0	25446	10714	6205	4810	5928	4192	0	0	3183	0	0	0	4852	4427	8288	16510	20297	2890	1949	0	0	1878	10776	0	2405	26088	Phytochemical	0.64705884	0.5882353	0.0
26	C17 H10 O11	391.0296	391.02994	-0.11692679	391.02954	3801	4002	3184	2558	13994	5143	0	0	11031	0	0	3175	27911	10373	0	0	0	18803	18037	0	0	0	6663	0	0	0	1978	0	0	0	0	0	1442	0	0	0	0	2917	0	0	0	0	0	0	0	0	0	0	0	0	3263	2874	6947	0	13968	7352	3870	0	0	0	0	0	28452	13616	2362	17353	3048	0	0	0	0	0	0	0	0	0	0	0	8900	0	6940	0	0	0	21350	7864	6584	4619	4728	2329	0	0	0	0	0	0	4155	0	5913	12607	13637	0	0	0	0	0	9318	0	0	28163	Phytochemical	0.64705884	0.5882353	0.0
22	C18 H14 O8 S1	391.04822	391.0486	-0.06283681	391.0482	3210	2080	0	3393	4589	1389	0	0	4712	3443	2988	0	3884	0	1687	0	0	8653	5294	0	2351	12647	0	0	0	2839	0	0	0	0	0	0	0	0	6960	0	0	0	1284	4618	2980	0	0	0	0	4354	1498	0	0	0	3993	3102	2278	0	3030	3343	1150	2262	0	1184	0	3329	2272	2180	0	2832	0	1513	2430	5100	0	0	0	0	0	0	0	0	0	7471	1044	2194	1280	2204	4520	1368	4390	1206	2884	1870	4999	5133	1577	16524	20047	0	2354	1576	1722	2370	0	0	0	1727	1525	0	2030	0	0	3998	Organosulfur	0.44444445	0.7777778	0.0
26	C18 H14 O10	391.06598	391.06635	-0.035125125	391.06595	5559	9173	6464	6530	19917	10969	3391	0	17476	5328	0	0	54181	10906	0	0	0	28617	29027	0	0	8111	8857	0	0	0	1741	0	0	0	8916	0	2421	0	7320	0	2938	3235	0	2321	2707	0	0	0	0	0	0	0	0	0	7276	7133	16657	0	24312	18034	5404	2681	2291	0	4430	0	42981	26109	5836	24079	4667	0	0	1694	2695	0	0	0	0	0	0	0	11090	7113	12839	0	0	0	27377	16541	6610	5268	5178	0	1673	1739	0	7188	13342	0	6421	7592	10594	20633	24076	0	0	0	0	0	13989	0	3516	40899	Phytochemical	0.5555556	0.7777778	0.0
14	C18 H14 O10	391.06598	391.0665	-0.060062453	391.06595	70271	65922	47003	60555	115564	60614	14863	14737	119957	96187	86079	22502	184341	44552	28608	22155	17267	119134	113031	55135	80688	153898	45770	15394	9380	8338	15123	23123	8515	5140	11208	8010	35374	12092	145686	6053	30151	31246	13738	38680	72592	36279	0	0	293	47187	79724	644	10104	9282	61469	52811	66485	433	121320	105395	57657	24608	18986	19275	0	46572	208579	138345	37392	149491	46383	18871	40419	23751	43703	10340	5940	3738	16508	9664	316	17519	65550	99216	47694	47645	7018	18857	133587	54534	52095	48034	53599	39000	18998	33829	36670	152012	112423	531	59847	57244	99561	143213	127955	25723	19833	15853	41687	24912	83226	0	13013	169145	Phytochemical	0.5555556	0.7777778	0.0
20	C18 H14 O10	391.06598	391.06638	-0.0845309	391.06595	21983	20319	23571	20170	64616	36772	6420	4207	62543	19694	10429	6658	120232	31219	16504	7832	5241	71540	62510	8790	22387	34722	18514	8222	7951	7079	7117	5267	1857	0	4586	2243	9183	4057	30846	1458	13637	10732	5317	8855	13295	10923	2413	0	1148	13745	26598	3108	3545	1500	31008	26700	33533	488	59892	56434	25197	8286	8521	4207	10813	11732	125549	58876	21467	73019	16846	4716	9150	3520	11975	2889	0	0	2157	2319	1053	7105	34407	26955	27541	17846	4028	7149	76977	35996	32209	20096	21515	8839	7034	11289	9158	51655	40178	1057	21222	22000	38537	77096	75553	11941	7049	5651	15061	7039	52745	653	9087	115984	Phytochemical	0.5555556	0.7777778	0.0
10	C18 H14 O10	391.06598	391.06653	-0.064502105	391.06595	15989	20773	15112	16790	35437	15522	3336	4310	49558	32949	28078	8734	54643	10285	5465	4964	6419	36983	37618	16173	34559	37338	13986	6419	2344	3363	4992	5931	3141	2674	2892	3299	10520	4910	47833	1641	8947	10201	8179	12737	26976	11903	0	0	0	10191	26048	0	3620	2248	15918	23323	23367	0	35261	37305	17077	7570	6989	10691	8842	15295	80342	50042	15947	44622	14296	7525	14188	9003	17655	4165	3740	1709	5064	3642	0	7257	20009	17221	16535	11312	2655	2650	54666	15424	14158	17718	13328	11882	0	7206	10366	50546	28249	418	19108	14991	40493	61393	49254	7591	6577	5385	15886	6337	34958	0	3076	65009	Phytochemical	0.5555556	0.7777778	0.0
8	C18 H14 O10	391.06598	391.06653	-0.10681667	391.06592	7070	9518	6179	8490	17043	4556	2299	0	20387	10245	9752	4179	27500	4131	2310	2573	2395	13503	11641	4389	12655	13237	4283	1370	0	635	1476	0	855	0	1361	1121	1209	0	19328	0	1617	3765	1561	4569	10062	5698	0	0	0	3878	6694	0	967	1183	6703	7899	7102	0	16518	21589	9115	3216	1197	2196	0	4046	34589	19238	6748	21935	6128	2421	5851	3409	6827	0	0	0	2753	1307	0	1901	6502	0	6565	3549	0	0	25251	6304	6259	8050	6517	4462	0	0	2317	17025	8565	0	8496	3428	21840	34083	24433	2562	1606	2266	0	3189	15627	0	1185	31711	Phytochemical	0.5555556	0.7777778	0.0
22	C18 H14 O10	391.06598	391.0664	-0.027493842	391.06595	13851	14822	14620	9894	40575	20719	2279	2416	32771	10443	3756	4348	63399	27636	4299	2971	3197	57415	30320	4762	6215	27546	10002	6356	2651	1907	3401	1909	1716	2038	5477	0	6798	2282	13478	1133	6624	9162	1401	4508	8537	4298	0	0	796	5309	9962	0	3236	1282	13920	16910	26676	923	41109	37797	15449	5521	2147	2834	2311	4794	69532	38592	10475	49646	9037	1318	4611	4553	6196	2103	0	0	0	1204	1193	4551	26065	11307	18805	8504	2110	1791	50052	22923	19286	5940	10802	3189	3136	4586	4906	29609	34404	0	11989	11569	24500	44441	41538	4636	2943	1291	9738	4796	30664	0	5349	69470	Phytochemical	0.5555556	0.7777778	0.0
24	C18 H14 O10	391.06598	391.0664	-0.007305335	391.06598	8750	11578	7165	8251	31548	12278	1493	0	25266	5821	2288	3874	48209	13843	3596	1347	2502	34270	31649	3362	4191	14481	8374	2422	3213	2698	1389	1832	0	1129	8654	0	3347	0	6431	0	4731	5135	0	1998	3502	4103	0	0	0	5324	7479	2000	1483	2269	9634	10231	13936	0	31296	23533	7696	1819	1213	2066	1609	1659	53220	29182	7337	32158	6364	1738	3055	3117	2927	0	1012	0	0	972	0	3055	18038	8320	15149	3709	1064	1824	38076	18482	12422	4813	7002	3171	1469	2171	3869	14949	18720	0	9168	8343	11369	27138	31458	2770	2151	1441	4336	2055	16311	0	4146	57047	Phytochemical	0.5555556	0.7777778	0.0
28	C18 H14 O10	391.06598	391.06635	-0.1451021	391.06592	7127	7423	7826	7005	19136	10010	3560	2169	15398	6962	2592	2744	33720	11746	5877	3707	0	24851	22682	4704	4251	8787	7626	3867	2731	0	2598	0	0	0	8559	1276	3614	1328	7507	0	3363	4572	3210	2690	3545	2531	1250	0	0	4624	4082	1341	1665	4694	8063	7735	11284	0	23153	14925	5472	2063	2116	1901	3097	1995	34123	17958	5463	21553	5230	3392	2734	2551	1679	1210	961	0	0	1299	0	1942	12501	5015	9582	2999	1721	1327	24481	12929	9871	4794	4585	2496	992	3374	3649	7294	12553	0	8170	7967	11811	17052	22352	4739	2067	2065	3248	2908	12414	0	4213	31274	Phytochemical	0.5555556	0.7777778	0.0
18	C18 H14 O10	391.06598	391.06644	-0.03997225	391.06595	47541	47586	41041	38121	94396	56816	11807	8143	88194	54535	31430	12744	187988	53351	20031	13279	10373	127750	118556	35746	28867	82706	38485	18631	13538	5026	10222	16679	4163	3677	6146	4892	26732	7073	59961	5365	21031	21815	7351	32772	33050	20173	2864	437	644	25881	47350	2008	9746	6887	45174	48367	62155	484	106714	90687	39700	13692	12011	14639	15983	25403	195689	91291	34160	123489	39198	8956	22012	12105	17062	6522	5576	0	3303	5197	567	11085	55209	61561	39987	34822	7208	9810	118830	50590	41350	30748	35356	15892	15044	22815	16972	72931	66278	877	42061	41393	66703	101301	108311	15156	13544	13484	26426	13302	63877	0	12308	157544	Phytochemical	0.5555556	0.7777778	0.0
12	C18 H14 O10	391.06598	391.06653	-0.03206169	391.06595	42829	46709	48996	41381	72168	30223	12552	6243	83522	67327	66812	18402	105959	24657	18294	13423	17719	74188	68559	43517	63078	97237	27576	14673	0	7379	10020	11255	3696	7026	7375	5316	18837	6200	88298	3444	19299	17624	10374	22041	64298	26337	854	0	335	21586	55096	390	7592	5388	40768	44470	47061	0	75401	71354	36205	17547	10509	15927	0	29921	143813	83892	30107	92364	30675	17863	24480	13855	41197	7572	4928	3667	11497	4289	232	13174	36637	46736	29874	22669	5790	6435	73498	32409	29437	30633	27354	34611	5324	19715	24547	105512	71542	0	49780	37634	90669	95840	84013	16683	13611	9545	22645	16549	63244	0	8598	137911	Phytochemical	0.5555556	0.7777778	0.0
16	C18 H14 O10	391.06598	391.06644	-0.06762453	391.06595	62429	61599	54036	59152	115275	67663	16045	9812	127006	84074	60713	23160	229222	61142	35068	19565	16902	163301	139781	48472	68893	112237	46277	20900	10904	13513	15680	20817	14228	6278	13278	12358	32455	11016	109323	6757	29891	40536	18090	40926	58530	39998	2966	594	507	39375	62800	1530	12380	8106	61640	50812	78119	566	127625	117247	58754	26788	24194	18249	24277	39908	219278	133560	44786	158262	58304	12755	31791	19033	39998	13253	8987	3856	10959	9574	635	18797	73940	82054	48986	44342	11926	14527	140797	61912	66174	49033	52045	32686	27674	39114	0	122025	103235	748	60588	48909	89195	142544	137044	28679	18625	19500	37202	28059	93541	546	17431	222128	Phytochemical	0.5555556	0.7777778	0.0
10	C17 H14 O9 N2	391.0772	391.07776	-0.10274016	391.07718	10970	8829	7116	5927	10793	4178	0	0	16098	12018	8666	2415	24611	2035	1469	2795	1733	13016	12614	6484	12957	18002	5260	2200	0	0	844	0	1323	923	2454	1357	4995	0	21395	1198	1556	2136	3414	13068	20711	5235	0	0	0	3812	14968	0	0	1158	5520	8064	9144	0	19000	12405	6303	2117	0	4048	0	8668	29076	15720	4210	18954	5434	4316	0	2850	6349	0	0	0	1419	0	0	1071	5782	6565	3781	4486	1119	1866	16805	4147	4311	5359	4256	5199	0	3248	5956	22001	12431	0	6350	5964	9024	17974	13618	4131	2536	0	0	3630	10838	0	805	27767	Phytochemical	0.5294118	0.8235294	0.11764706
16	C17 H14 O9 N2	391.0772	391.07773	-0.03256281	391.07718	9176	9819	7653	6688	15102	7346	1128	0	16291	13746	6558	3444	24165	3316	2666	1788	3992	22661	13776	4326	12806	27317	7660	3208	1361	0	2982	0	2459	1435	4662	0	5709	3859	18401	0	6422	3603	6102	12831	23685	6640	0	0	0	8638	14879	0	2388	3371	7394	11504	7734	0	21642	13458	4480	6411	2558	5765	7131	14118	27168	16805	5394	17031	7985	4380	4056	0	7357	2606	1544	0	3649	1369	0	1370	7696	16941	4962	8806	0	4517	13582	4654	10412	7952	5491	0	0	8216	0	30555	26783	0	8342	6282	8643	12802	15283	5194	2522	3414	4929	0	7141	0	3918	29112	Phytochemical	0.5294118	0.8235294	0.11764706
14	C17 H14 O9 N2	391.0772	391.07773	-0.0298663	391.0772	10506	12408	11575	10502	15057	9392	4268	3232	20468	19425	10719	3634	30022	5431	3001	3566	7790	17911	14403	11231	16993	37606	6475	7249	1612	2644	2026	0	1463	1553	1447	0	11018	1608	30982	2036	5205	3660	4044	17135	35865	8388	0	0	0	9461	17484	0	1668	1517	10277	11326	10136	0	20297	14568	7981	4365	0	0	0	16615	34480	24970	8271	25438	9319	6899	0	2813	10982	1810	1284	0	4089	3034	0	3596	8429	17602	7521	6938	2033	3534	21047	4288	10687	7024	7755	18695	0	5686	13637	37609	24397	0	10411	8715	9921	19781	15721	7027	2692	2365	0	7900	9119	0	4173	31467	Phytochemical	0.5294118	0.8235294	0.11764706
18	C17 H14 O9 N2	391.0772	391.07773	0.041180212	391.0772	11546	11320	3286	9838	13478	3996	1094	0	14248	25029	24805	3279	13309	5920	2709	5428	6640	17179	14240	19045	18022	36583	4770	7661	0	28209	6798	10012	0	1426	0	0	5430	0	40264	0	2498	3525	8628	17337	19467	2897	0	0	0	8482	15112	0	0	0	13262	10131	8782	0	12339	11346	7795	0	0	2560	0	14586	21360	14381	3391	15880	11243	2734	24733	24616	51909	0	1730	0	2595	0	0	2374	15224	26027	8356	12579	1192	4227	11390	7186	14620	12541	7729	8758	3347	5672	9968	35065	25864	0	9933	10265	9494	11074	7578	0	0	1741	10058	3164	4568	0	1829	24023	Phytochemical	0.5294118	0.8235294	0.11764706
8	C17 H14 O9 N2	391.0772	391.07782	0.018584238	391.0772	2935	2591	2203	2707	5237	1789	0	0	10340	3223	2008	0	10106	0	756	0	0	5461	7070	1951	6684	6961	1734	1341	0	565	0	0	0	0	999	1171	1543	0	10930	0	1471	712	1327	2863	9177	2129	0	0	0	0	4600	0	0	0	3611	1701	3727	0	8926	7292	2638	2032	0	1864	0	5558	20854	8886	2366	6972	2082	0	0	0	4114	0	0	0	0	772	0	865	2280	0	1674	1400	0	0	7264	0	1926	2590	1385	3184	0	0	2464	7370	5135	0	2512	2169	5517	9892	7791	1240	1256	0	0	959	4388	0	0	17429	Phytochemical	0.5294118	0.8235294	0.11764706
12	C17 H14 O9 N2	391.0772	391.07773	-0.046010815	391.07718	7544	7187	11063	9317	16175	4285	2805	0	22739	21225	9853	0	31455	5616	2138	3457	4713	20329	20935	8508	23294	33993	6622	4643	0	0	0	0	1305	1439	3157	1389	7411	1501	22215	0	0	4041	6352	14275	27784	7168	361	0	0	5717	19244	0	3385	2019	8140	7795	12429	0	28390	16968	5695	4042	0	7929	0	14687	46249	21287	5906	19375	9393	11075	0	4087	15593	1887	2322	0	2767	0	0	4461	9677	0	4449	8175	3445	3213	19184	4933	9423	11489	8915	13264	0	2645	11451	30405	14323	0	8362	8080	9014	14611	19243	4908	3765	0	0	7494	11685	0	2785	42850	Phytochemical	0.5294118	0.8235294	0.11764706
22	C22 H14 O7	391.08124	391.08167	-0.0745624	391.0812	3148	2859	1631	3217	3673	0	0	0	5173	7843	9402	0	0	0	0	0	1592	5659	4000	3162	3677	4037	1178	0	0	19397	0	5916	0	0	0	0	0	0	16276	0	0	0	0	5820	8172	1435	0	0	0	2029	9655	0	1256	0	2837	2408	1979	258	1665	3068	2636	0	0	3905	0	3103	5379	2564	3438	4011	1312	1612	20375	9509	19542	0	0	0	0	0	0	0	2580	6981	3447	5585	1550	7821	4917	3920	2662	2069	1577	3753	0	2732	0	8780	12043	0	3222	2493	4787	3237	0	1644	1241	0	6304	1632	1320	0	1690	1600	Phytochemical	0.3181818	0.6363636	0.0
20	C22 H14 O7	391.08124	391.0817	-6.2407E-4	391.08124	0	2590	2956	5761	5153	1729	0	0	4195	14006	16618	0	0	2733	1599	0	1755	2661	2135	6218	5894	9434	0	0	1566	17812	1721	5871	0	0	0	0	0	0	15994	0	2275	1473	1309	3364	9649	1243	0	0	0	4629	10293	0	0	1380	4746	3687	4671	0	3662	3067	2856	0	1464	1053	2502	4376	3905	3757	1907	2792	4932	0	20006	21034	30212	0	0	0	0	0	0	0	4948	12271	3275	5953	1834	0	5627	3723	3172	3180	0	2762	4719	2861	3524	10164	5426	0	2527	2580	4215	2966	4015	0	1745	0	3260	1662	4112	0	1679	3340	Phytochemical	0.3181818	0.6363636	0.0
2	C13 H18 O8 N4 S1	391.0918	391.09232	-0.23179886	391.0917	1763	1907	1671	1132	340	0	561	2182	0	0	0	709	504	0	554	4854	1538	0	0	0	801	5553	925	5085	826	0	0	0	0	626	463	544	0	0	0	458	0	921	1133	1277	3053	0	0	0	0	1881	2148	0	993	1650	1781	1723	0	0	0	0	424	3117	0	249	3999	862	0	0	0	0	557	2549	0	277	0	1293	694	0	1181	637	0	935	2949	5554	1770	0	697	1229	0	0	2671	797	518	20035	2998	1035	12560	4772	6961	0	1446	1651	0	0	330	0	615	1459	704	2131	0	0	2054	493	Peptide	0.61538464	1.3846154	0.30769232
6	C13 H18 O8 N4 S1	391.0918	391.09238	-0.33625102	391.09167	0	3273	2175	0	3225	0	0	9444	5250	0	0	0	11913	0	12474	0	0	5949	0	0	0	3600	0	0	38208	0	1734	0	0	0	0	0	0	0	2899	0	0	2817	0	0	2148	0	0	0	0	0	0	0	0	4935	0	0	4146	0	2145	6912	0	0	0	0	0	0	12297	4179	4485	6171	0	0	0	0	0	0	1884	0	0	0	0	0	0	0	0	1095	1089	0	5211	3714	1818	2646	3252	3174	0	0	3924	2886	0	0	0	0	4542	10719	9963	0	0	0	0	2598	0	0	0	8424	Peptide	0.61538464	1.3846154	0.30769232
8	C13 H18 O8 N4 S1	391.0918	391.0921	-0.15588543	391.09174	6016	5164	5680	4025	2763	1961	2806	4734	4545	0	0	2763	8423	0	7837	21786	0	2557	5977	0	0	8061	12627	83365	10134	0	2985	0	2139	1269	3686	0	2859	971	1662	907	2761	9270	0	2601	0	2756	0	0	0	14381	0	0	3516	3857	4869	4475	2219	0	16062	2010	3371	20246	0	0	26795	1478	2110	5576	1692	3820	1996	0	0	0	0	4341	0	801	0	1337	0	3382	8675	4518	11391	1090	0	1383	1865	0	8988	2156	1327	2683	10318	8973	51402	1804	4584	0	4907	3653	1754	2501	2016	1977	2965	0	0	21802	0	0	12149	5275	Peptide	0.61538464	1.3846154	0.30769232
8	C23 H18 O4 S1	391.09985	391.10034	-0.05732158	391.09982	1687	2293	3190	0	1398	0	742	0	1580	0	2182	1746	2393	0	879	1791	0	1524	0	0	2523	2241	1326	0	0	1983	1461	0	0	0	1153	0	1071	1773	0	1258	1305	1782	2978	1406	1269	0	0	0	0	0	0	0	2103	1978	0	1963	935	0	1179	1934	1238	1786	1918	0	0	4291	0	2534	0	2148	1811	1985	0	2516	4973	1493	1130	0	47750	1159	0	1719	2140	0	1116	1355	1395	0	1893	0	1743	1482	1441	0	0	0	0	0	3319	0	0	0	2165	2261	0	0	734	0	0	0	0	0	1059	0	Organosulfur	0.17391305	0.7826087	0.0
26	C19 H18 O9	391.10236	391.10272	-0.12684484	391.1023	12014	14679	12712	11891	21957	13486	1559	0	30253	27849	7641	4517	47252	15753	8116	0	0	30865	29622	19669	21283	28775	12498	5528	0	9530	2955	5075	0	0	4609	0	5680	3749	33800	0	7378	5357	4059	11608	12820	0	0	0	0	15923	14754	0	4027	0	12425	12535	13417	0	34018	23761	9356	4245	3138	0	7391	7923	39913	24199	6485	29313	10170	2079	12248	29503	26868	5428	0	0	0	2429	0	4176	12743	16103	12100	11995	3210	8079	29798	15285	13822	6942	9025	4710	5177	5778	7502	16940	48693	0	14654	15357	15923	30196	20550	0	4931	5412	11453	3711	13336	0	5420	49031	Phytochemical	0.47368422	0.94736844	0.0
22	C19 H18 O9	391.10236	391.10278	-0.0957301	391.10233	47316	52547	41479	52156	86760	47052	10574	15771	85203	102250	37528	13667	108251	42305	24961	22616	9764	90994	77127	64779	69456	88123	37578	23903	22175	50558	13584	26218	15624	12537	12623	11177	21141	11645	121385	10592	30043	23840	14018	47088	40520	19105	4096	0	1568	50785	62756	2926	20250	13161	50410	46744	53733	2072	100724	69314	34026	21407	20436	9679	18970	44655	139102	81723	24378	90679	36325	8841	59292	84392	84775	15995	12982	10706	6761	15234	1659	16605	45656	51722	46571	45247	13719	37370	97761	47843	38484	21421	29853	16284	29876	23948	32480	72873	97365	0	43672	38367	59628	106182	83689	21821	15444	19874	43059	17133	62105	2775	22629	159241	Phytochemical	0.47368422	0.94736844	0.0
8	C19 H18 O9	391.10236	391.10294	-0.083754525	391.10233	55331	65664	38848	55344	44660	26499	21582	29228	59011	223336	84087	29019	65142	21704	28682	38807	32280	51689	56630	90163	97843	66937	37569	40663	13889	46877	23628	43039	19518	23830	28945	26021	32508	24580	287318	21634	28550	30669	44364	63758	193334	29060	1130	0	422	57609	82446	536	33456	27828	53425	57292	31421	402	57864	45303	29161	34270	22957	44271	30496	43373	77887	55168	22777	49468	27717	40133	86962	80009	145251	32484	26377	23259	20811	30621	467	24548	53902	32647	42868	37135	22036	29583	55418	28339	44401	29062	33290	43226	14651	27498	41489	63407	68122	539	54186	53122	57357	61523	57936	34472	25132	38822	36318	32107	48700	314	19419	67239	Phytochemical	0.47368422	0.94736844	0.0
28	C19 H18 O9	391.10236	391.10275	-0.14665584	391.1023	11705	10576	12655	10844	18611	11142	3049	4578	16293	25413	8481	3694	33271	10750	8109	5345	3407	22971	22855	14797	20533	22027	10424	6396	6237	10047	4417	6929	4103	2564	2940	3853	5830	2776	23997	2055	8185	5502	3155	8276	11904	6047	1237	0	0	14853	12646	1590	3887	2564	9999	10907	12728	0	17963	17327	5974	5246	4766	2477	5245	7456	27819	14599	5775	21445	6299	4203	12755	19329	17964	3417	3449	0	3106	3944	0	3890	11673	16709	8313	9504	2927	6108	22158	11830	11540	4928	6660	4052	6100	9467	6159	20237	27415	1415	12051	12604	13802	17211	17786	6362	5405	7220	9131	5659	14070	0	4589	26663	Phytochemical	0.47368422	0.94736844	0.0
24	C19 H18 O9	391.10236	391.10275	-0.09249706	391.10233	23263	22144	21094	20998	36129	21253	4718	4893	46884	58486	18198	7535	71653	20257	12812	8352	5199	56184	39360	30212	34299	46936	18628	13705	8036	21674	5669	11413	4125	4916	4465	4510	7479	2715	60179	4432	11931	8835	6797	27318	22637	9423	0	0	0	24427	33965	0	8840	2797	22040	20859	19178	0	51583	31933	11969	7589	8360	5588	7456	20564	73707	45574	14108	45578	14019	5802	24567	40662	46017	4589	3677	2274	3561	4637	0	6217	24119	25829	24621	20257	5508	13958	44904	23529	18357	10870	14644	5839	8888	11082	10810	37207	72449	0	24118	23300	27620	43543	42195	4832	5305	9375	18610	7050	26304	0	7329	77058	Phytochemical	0.47368422	0.94736844	0.0
20	C19 H18 O9	391.10236	391.10278	-0.08050137	391.10233	106797	119623	121040	118320	178410	118496	38544	54169	198847	254066	98907	35044	304913	95526	67896	49995	27866	218734	189308	180455	190549	177429	80104	66890	59630	127498	46424	80928	42994	30399	42036	40757	69924	41288	274229	36959	74566	60472	35290	135922	90118	59351	6434	1323	1881	126469	148351	3422	56332	38660	108752	118082	117310	2403	207372	155386	73809	63267	54277	32584	58496	99096	259395	171230	62420	176575	85733	34932	127334	192547	173861	52807	36532	26143	24613	40717	2365	50594	106037	105729	82941	101959	43256	97350	182900	106539	92734	58997	68356	45691	71705	87910	78436	140139	167609	3061	111648	118915	136866	166098	144084	61284	41355	61605	96015	59649	120319	2022	46937	284361	Phytochemical	0.47368422	0.94736844	0.0
6	C22 H18 O3 N2 S1	391.11108	391.11136	-0.21030037	391.11102	0	1154	0	0	0	0	662	874	456	0	0	923	0	0	654	1138	0	0	0	0	0	1159	569	0	677	0	1439	0	0	1574	1364	0	877	0	1421	1415	1381	1143	0	0	0	0	0	0	0	0	0	0	0	1052	999	0	0	0	0	0	0	1331	1031	1471	0	0	0	0	0	758	0	0	0	0	0	1986	1240	1250	40762	0	0	844	1397	0	0	614	0	0	0	0	0	0	569	1825	0	1276	3034	0	0	0	1097	0	0	0	0	0	0	0	0	0	0	0	703	0	Organosulfur	0.13636364	0.8181818	0.09090909
8	C18 H18 O8 N2	391.1136	391.11417	-0.11167024	391.11356	79120	86373	60635	79740	56818	35640	27815	44410	81454	178251	112466	44806	95547	27329	38721	47302	52706	68764	83197	131029	186070	169868	48069	64210	22028	31581	29360	56045	37880	36952	37217	45873	62958	43483	216835	36638	62232	32669	54455	133004	222000	39879	454	0	0	105668	188099	0	49448	41941	74591	81492	48105	274	88806	62258	37374	52040	47432	59571	57543	105691	121278	89771	36226	76173	42542	63937	88632	81806	162539	45232	39193	30809	30230	40164	0	33953	56360	86728	43766	75469	29922	50819	74569	32558	54350	48944	45714	86063	35349	69948	85556	138958	133304	0	76697	72419	68964	79241	69008	56131	37063	58034	89656	56435	60850	0	33828	113691	Phytochemical	0.44444445	1.0	0.11111111
6	C18 H18 O8 N2	391.1136	391.1142	-0.1237236	391.11356	32998	36878	33479	33959	30368	18228	13033	25795	40969	69287	52573	16037	50875	12270	15865	23534	25547	37889	41882	45919	87041	62605	21217	28980	7715	13704	11201	25834	14807	15077	20871	20054	27546	16996	89134	16240	27257	16975	32346	46053	85542	20052	0	0	0	41727	78538	0	23853	18162	31747	30955	24810	0	48238	29610	17519	25478	16687	28508	26970	41550	66309	37461	16609	40448	23278	31401	36339	31026	77040	15629	17932	14191	9236	15316	0	14159	19132	25982	16915	27039	12240	13980	37508	20408	23304	26747	23812	42056	15116	26214	42822	57014	55254	0	34460	33981	25273	36757	37367	27524	17673	26549	41143	25858	24503	0	12463	68137	Phytochemical	0.44444445	1.0	0.11111111
18	C18 H18 O8 N2	391.1136	391.11404	-0.08664612	391.11356	50311	50211	54171	53969	53744	43906	42234	35608	41125	104030	53627	32479	68940	38600	37592	44833	33238	64832	72052	46831	64842	99094	51811	59341	37944	89621	39764	55454	22677	24226	33584	18292	67047	24090	123902	25014	59640	35430	47646	81406	78163	34022	1921	0	283	59146	54004	406	36658	19759	53735	59148	56240	0	59569	36241	36672	57045	18407	28262	49130	59695	65615	51572	28076	57427	42232	44932	80181	91796	141956	29318	17291	18777	18035	14355	0	27758	65499	58808	53411	42561	22248	44730	45350	36164	53980	48548	46586	60147	49419	57735	83127	56627	83810	457	53418	49973	39331	37847	40703	55424	26683	27209	37998	43335	33754	0	44246	77934	Phytochemical	0.44444445	1.0	0.11111111
20	C18 H18 O8 N2	391.1136	391.114	-0.09735445	391.11356	20884	17546	16266	14984	21820	24528	12212	12954	16977	27534	10121	12265	24962	10631	21451	19021	8040	21788	24214	7028	23079	36437	23506	24201	21016	4877	12445	6711	7442	6556	13209	12053	18590	7203	34783	6139	23671	18315	8455	25719	24701	8540	1371	0	0	17719	22654	527	17874	11839	19625	20763	22224	401	21032	12229	12458	12571	9582	7619	21317	22646	27324	19418	11913	21223	19661	11527	8826	13504	10797	12286	6807	4156	6099	7373	0	12378	22576	23995	19200	12218	5788	7627	18432	12627	27067	17181	11957	13955	17748	16034	37200	32017	18549	0	12989	14815	14093	10615	14218	18913	12576	11465	8314	23088	13052	0	22258	32823	Phytochemical	0.44444445	1.0	0.11111111
22	C23 H18 O6	391.1176	391.11807	-0.062580235	391.11758	11977	11330	7396	10341	10609	3530	3185	1694	9723	28076	36029	2707	4264	0	2548	5896	2485	12863	9749	20126	22271	12060	3064	3320	3579	65264	2187	31101	2488	1451	0	0	2005	1883	26157	1239	2869	1951	1924	20269	25857	5102	0	0	0	9823	21301	0	2317	3161	6787	9881	9467	0	2471	5012	4902	2520	2489	5149	1637	11493	9266	5220	5515	8858	7848	3381	71901	51308	86161	2438	1449	1058	1373	2606	0	1567	6686	15649	5875	11694	4885	19677	9606	7705	5075	6344	5304	3598	5049	3917	8369	22217	19156	0	6655	8205	11573	7543	7766	2593	1292	4712	10595	2722	8755	0	5873	6707	Phytochemical	0.26086956	0.7826087	0.0
20	C23 H18 O6	391.1176	391.118	-0.09284546	391.11758	9003	9901	7286	6603	5074	4932	2319	2083	8408	26121	28772	1625	5325	8472	3539	4457	1364	5624	9191	13105	17649	12236	4564	4946	1928	73785	2266	20364	2128	0	0	1838	3720	2152	29459	1801	2415	4941	2585	13760	21100	2289	419	0	0	12489	12394	0	3658	4138	6993	12461	6182	0	4065	7241	5412	4848	3306	6250	2725	11754	6307	8022	3796	9321	7046	2765	61036	57843	86204	0	0	0	0	2021	0	1060	6479	13507	5803	8232	3196	15183	7487	5241	4353	5541	4601	4309	5552	5986	10571	14494	14992	0	7106	6761	10445	6176	7020	1881	2457	5701	9108	3464	6748	0	3100	7858	Phytochemical	0.26086956	0.7826087	0.0
24	C23 H18 O6	391.1176	391.11798	-0.030533759	391.1176	4412	3451	4204	5663	4517	1648	1904	0	3861	11378	18001	1376	2656	2243	0	0	0	4149	6660	8967	10196	5866	2518	2008	0	38971	1559	15316	1171	1128	1357	1225	1254	0	16610	0	0	1527	3171	9213	14710	2583	0	0	0	8781	14547	0	1507	0	4197	4043	3386	0	5504	2569	2632	1093	2833	3416	1615	5204	3108	2799	3550	3892	3173	3145	39178	23990	42187	1448	0	0	0	0	0	1350	6057	11395	4457	9636	1718	8572	5831	0	2858	3379	3603	2711	2171	3876	2694	10091	11247	0	6813	4912	7441	4653	2452	0	1098	2120	5356	0	4147	0	3544	2061	Phytochemical	0.26086956	0.7826087	0.0
10	C15 H22 O10 N2	391.13474	391.1354	-0.013939095	391.1347	4864	3080	0	0	2548	6588	5400	4709	6887	2954	0	4079	3863	0	3877	3885	3776	4796	4303	0	7031	4237	3184	3773	2746	5615	2431	0	6060	4019	7206	4418	11527	4166	4112	5883	5475	5699	8186	5775	3502	3611	889	0	0	7082	4282	0	9419	4709	9121	0	6296	0	8910	5450	3501	6505	8975	4278	0	6935	6493	14224	3196	3985	7506	3113	0	4937	0	8001	3917	3357	55781	10113	0	3477	2281	0	3456	4197	2540	3838	6546	1831	4975	3225	4731	4643	0	0	0	2068	2629	0	3416	0	0	3022	7936	7445	5485	4003	97751	6942	9893	0	4018	7620	A-Sugar	0.6666667	1.4666667	0.13333334
14	C15 H22 O10 N2	391.13474	391.1352	0.08995551	391.13477	2888	0	0	3049	2471	0	0	3025	7137	0	0	2105	3652	5223	3136	6046	0	4064	0	4192	0	11265	2956	0	3267	0	2504	0	3440	4445	3720	0	4969	2028	0	0	2320	0	0	0	0	2385	0	0	0	6771	0	522	2168	0	6949	0	3961	0	13135	2915	2146	0	11045	0	0	7180	0	0	4687	5889	4778	6242	0	2165	0	3804	2801	2492	36450	3255	0	0	0	0	1796	3577	3560	0	8566	0	4126	6292	0	0	3839	0	4272	0	0	1035	4340	0	13714	5946	3434	0	2884	0	0	3334	17334	0	0	7183	A-Sugar	0.6666667	1.4666667	0.13333334
16	C24 H22 O3 S1	391.13623	391.13672	0.07401535	391.13626	6132	0	0	0	5804	4553	5044	2500	2270	4340	0	4892	3249	5106	6060	0	4067	3886	0	0	0	5922	0	1643	0	0	6132	0	4265	4819	6978	0	8467	2195	0	5422	4861	7950	4180	0	3303	5065	2744	725	0	0	0	0	8564	4478	0	0	0	577	0	4695	4236	6850	0	6577	0	0	2911	6529	2709	5518	4843	5969	0	0	0	9473	6033	2780	48200	7733	0	3220	5691	0	0	0	0	5036	3293	3980	3813	6072	6337	0	0	0	0	4738	6054	847	7300	0	5419	6425	5024	0	5540	0	0	0	10535	512	5067	7893	Organosulfur	0.125	0.9166667	0.0
8	C20 H22 O8	391.13873	391.13925	-0.117326505	391.1387	147024	154572	116438	152456	68838	29634	48454	145028	53332	208924	70436	54820	92358	28367	102510	143692	66693	45037	121694	231576	239542	156706	114478	82485	36411	182810	51099	58073	62206	134934	56985	140324	123720	53515	231876	67630	119614	103576	146690	89760	219710	66624	3559	1295	2674	175290	199600	1895	163464	73553	141852	158358	64372	2202	59399	83444	64908	69022	58534	138972	77606	64279	56334	45156	27816	46346	63316	161038	122006	227356	171734	118312	67357	61917	38479	74071	1927	48803	147712	38008	124128	124434	119998	60001	53971	30854	126214	28697	40147	153144	42756	58499	151900	120766	67932	3052	140622	146578	49054	93936	41030	69568	54549	83177	46944	58200	43696	1755	98008	50284	Phytochemical	0.4	1.1	0.0
26	C20 H22 O8	391.13873	391.13916	-0.13829668	391.1387	36754	31273	26568	31615	41046	25329	8353	21044	52603	63994	25827	16661	79439	27228	22625	25452	12655	56678	52554	60696	74255	46808	32501	25429	16550	45097	8079	20634	19048	16211	21198	13271	26236	18305	76323	16889	26846	12911	17743	39502	34117	16024	4160	0	0	40012	30296	0	23038	20935	32964	33471	29510	0	48894	44962	18622	23388	14217	9805	26540	23560	65480	41625	15449	53856	24043	13989	47501	86035	80127	22383	16596	21028	12503	21762	0	16091	37685	21369	31328	23562	11622	24575	45043	27247	31082	22455	20338	18199	24192	24140	29267	27941	48262	0	29698	39656	24605	50569	49114	20649	20188	19526	20745	20671	26723	0	17620	74383	Phytochemical	0.4	1.1	0.0
10	C20 H22 O8	391.13873	391.13928	-0.10506373	391.1387	436188	423224	187520	368654	220562	90389	277526	460708	284418	675330	400572	276842	251076	86502	276218	223487	316386	128358	310718	682650	684576	392076	323140	502270	106780	731572	146791	169075	333364	368400	358354	396676	393902	312784	698372	360022	365626	311316	409112	527502	568216	96080	9651	3067	3223	440806	493446	3789	397980	375666	406560	424702	206576	3462	311104	108694	158118	212519	173742	197108	237926	345584	298152	127049	78784	248222	103167	401974	355477	836206	1013326	375042	362836	179132	151153	377738	2493	273708	431220	109918	384050	357390	326582	315080	336808	180468	345444	169842	213948	391688	137470	288704	391530	282028	394942	5290	414372	410114	133359	238386	240238	331324	281818	219581	200548	160634	233848	2402	290970	157144	Phytochemical	0.4	1.1	0.0
24	C20 H22 O8	391.13873	391.13913	-0.12083874	391.1387	68953	70780	63440	74307	90191	61530	22506	46671	95313	138677	59215	38630	151597	47639	50439	53846	31117	109296	103931	111280	125570	75492	64091	58470	35300	105101	21791	52421	41209	33851	41658	44215	53941	41400	156308	40683	58249	38767	29959	81304	67580	35485	6239	3547	5510	66638	69294	4298	46096	36188	68368	67740	66363	6242	97310	84550	38611	49621	38881	25826	53649	57721	126366	82168	36978	106950	48144	33574	95590	168722	148854	50159	40750	33221	28092	34849	0	33685	78465	40554	70731	51417	32566	51184	103492	52694	62368	39721	46801	35574	47994	49032	63095	47916	80164	5077	67289	75338	64427	95429	92604	51436	32592	47415	45305	43352	59183	4618	42033	135076	Phytochemical	0.4	1.1	0.0
6	C20 H22 O8	391.13873	391.13934	-0.14639011	391.13867	40972	49380	37416	41288	10494	9131	14699	26486	29652	29787	38414	17278	23170	8569	16531	19756	21363	15720	31302	50480	68798	50662	18189	26527	10229	44434	14234	13102	20159	19855	21771	20424	25109	14676	35139	20073	17061	15629	23994	17375	52966	11381	1824	1495	2109	20559	60430	2070	21626	20776	38766	41078	10056	1965	35702	30980	9489	21107	17095	40532	23746	14839	36116	12678	11267	13744	11787	25988	33134	27543	39633	13819	20194	22945	9177	21550	1896	15307	39058	6800	19862	38460	35742	14440	12794	9777	20786	8603	12754	25562	8813	17936	22384	31704	39502	2548	38818	37566	11123	27024	27966	19048	17512	22256	27821	16573	13330	1349	15549	31738	Phytochemical	0.4	1.1	0.0
22	C20 H22 O8	391.13873	391.13916	-0.093610175	391.1387	199469	206762	170560	189181	203139	163810	74713	139409	241243	414904	161789	89437	303823	138807	137627	132840	78674	315912	226663	334282	337032	219088	152080	161827	160732	301726	66356	149876	122183	100918	116631	125889	152599	120107	433024	109889	168232	110478	76079	234444	169432	96281	12229	5227	5160	193866	177399	6559	128160	111367	188084	188952	154261	4948	256276	205001	116781	154950	111457	70898	137135	164659	317282	209104	89804	233398	137533	79585	262177	501584	378499	135073	108325	98724	62822	112818	4870	99799	176990	113223	163490	137080	97666	150210	223403	139293	154960	105261	153787	97451	156219	166511	177273	131490	207852	7151	180849	178975	174381	247013	207193	132987	98835	139591	139276	129120	162569	5028	107270	364569	Phytochemical	0.4	1.1	0.0
28	C20 H22 O8	391.13873	391.13913	-0.16263257	391.13867	22947	16947	21777	18523	22457	13574	7735	14257	25149	36718	16903	9652	47778	15002	13749	16766	11010	34564	31938	39796	40011	23726	19293	18647	12850	32480	7740	14984	12399	14011	14683	13292	16441	14666	46385	13677	15018	9796	10882	20944	21253	12955	2939	1499	0	20402	16116	2786	14029	16334	20554	19266	18680	0	26263	21871	13015	16768	8830	8353	19027	15058	36853	18820	11051	31545	15655	10888	37617	54686	47442	12635	10363	14165	9008	13530	0	8798	19972	10600	16065	14733	11402	16108	25955	14192	19073	10791	13362	11862	18858	15803	20945	16835	27196	3240	18985	23026	17701	26324	29542	14386	12948	14972	13300	14383	18087	1717	10285	33257	Phytochemical	0.4	1.1	0.0
6	C14 H22 O9 N4	391.14597	391.14655	0.025684932	391.14597	6452	3729	4707	6597	0	0	5926	12098	0	2143	1267	7630	0	0	6619	11620	6595	0	1604	2683	2543	2247	6059	15011	3725	0	3993	0	8070	17266	11286	15158	9274	8366	2777	13256	7900	7146	9906	0	0	1519	0	0	0	3329	0	0	13375	11598	4110	5276	643	0	0	0	922	13434	2252	2152	9889	0	0	0	1943	0	2190	9716	0	0	0	9639	12184	22431	6285	12057	0	9237	4827	0	7520	1882	2366	0	0	2521	3547	1742	1897	4626	0	0	5211	0	0	0	3436	4615	0	0	0	9494	8034	5328	0	7719	0	0	4994	0	Peptide	0.64285713	1.5714285	0.2857143
10	C19 H22 O7 N2	391.14996	391.15048	-0.18246666	391.1499	235810	224327	212641	204215	120775	106455	138036	256723	129195	399033	185390	137429	161371	70904	152160	212166	168198	166559	200855	402419	420863	371215	170559	274608	140097	193311	141390	164164	194462	187087	184149	206740	259638	186961	464639	185319	254453	154046	206481	429250	407174	111909	2056	0	291	308227	308190	0	235775	198870	226755	239322	120837	0	186365	95188	80423	238669	184946	191971	243964	240950	148536	137517	70335	157473	119548	217829	235083	394058	349187	200320	177845	174139	148292	180434	0	139882	187968	166825	160878	200129	165071	203295	112651	83425	173782	118081	132745	266721	233968	255364	333845	233776	322267	1121	220683	230073	94298	97351	93652	212682	126884	289499	188562	216655	96261	0	153307	189355	Phytochemical	0.36842105	1.1578947	0.10526316
8	C19 H22 O7 N2	391.14996	391.15054	-0.15061367	391.14993	189351	198134	148171	183836	93465	84801	94508	164189	112622	344056	168334	103720	146037	48696	113949	174548	129775	120925	164373	338842	381902	322979	121733	202972	85797	131222	88701	126483	130845	139205	130281	172401	177126	128199	439178	133709	186930	108486	160867	354133	336106	87700	1061	0	0	254401	286036	0	176532	140059	179657	182256	96850	275	138264	76906	63803	157984	120495	145149	179143	197365	136723	124546	58885	123294	88940	167436	182089	282698	302156	155336	134264	120154	94262	147287	0	99102	141817	154150	117289	149528	122979	172978	85348	60280	134916	95369	103826	216240	148194	221910	260162	184853	287658	536	175913	179721	80186	89954	85941	152495	94437	234228	135791	150738	76735	0	109733	150468	Phytochemical	0.36842105	1.1578947	0.10526316
20	C19 H22 O7 N2	391.14996	391.15042	-0.10894614	391.14993	23159	27093	25990	18103	23324	23664	24737	21581	21747	34792	21881	14525	20164	15737	22204	26211	14714	29774	29578	25133	30437	44089	21442	26442	22928	4593	18290	18474	22960	18396	24303	19588	32243	20368	41995	14040	39760	21625	22213	26839	30449	14668	1014	0	351	21225	18132	0	25518	15773	22740	26749	22260	356	21648	16907	14719	29904	17462	14413	27255	20974	19016	18021	10037	22505	18888	16191	15233	23209	17967	14388	14598	10401	11733	17109	0	18522	23625	18365	16134	15387	18372	22620	18328	13302	26232	25816	19097	22172	33381	31961	49786	24890	29021	0	25277	25540	20653	14473	14084	22324	13042	26129	16960	31470	16960	0	29003	32341	Phytochemical	0.36842105	1.1578947	0.10526316
6	C19 H22 O7 N2	391.14996	391.15057	-0.12149362	391.14993	104406	120188	106828	112290	62306	44602	53940	94818	75206	230145	105323	58321	107441	31973	68883	109793	79025	85972	105293	198638	256590	228994	74180	116798	49538	74418	50930	76417	79854	80077	79420	89016	114912	80585	258789	85415	111631	65428	107565	156823	210737	51971	0	0	0	147538	182618	0	108461	79411	109034	117450	62815	0	95831	58344	40933	103959	67070	92066	110266	121348	103380	75342	35265	86531	67219	116455	109379	156556	201290	79368	76158	71777	48306	72482	0	51060	72005	178923	64750	83083	59293	83016	60833	45070	82409	62410	66808	141248	77452	126033	155482	246532	329528	0	114056	108807	48819	55607	59837	105415	54846	134142	90653	101928	51958	0	53738	114138	Phytochemical	0.36842105	1.1578947	0.10526316
14	C19 H22 O7 N2	391.14996	391.15042	-0.19187896	391.1499	203611	209503	193347	202842	119055	119816	162844	210667	154832	285412	152661	112797	159124	76748	168610	199998	145131	183885	178995	283617	294358	328947	160416	245676	190993	156196	134556	155269	175220	161109	167281	192788	252441	157655	347639	190358	238877	147222	172842	314348	231852	116602	0	477	0	228563	222851	498	199705	159840	183127	193457	122324	675	188882	95381	93814	240839	231483	148045	239795	206643	150248	130646	77261	149684	134376	157665	186292	302684	238822	174889	144873	148698	128518	157720	0	128817	155131	162231	162050	161230	156957	163425	109905	96702	176727	127309	130171	251283	224080	250312	337894	180832	234330	892	202961	194115	93826	99119	92416	215021	121741	246851	164667	197877	91470	0	174698	181068	Phytochemical	0.36842105	1.1578947	0.10526316
4	C19 H22 O7 N2	391.14996	391.15063	-0.13758071	391.14993	31928	34330	29044	29614	24278	17508	13733	26120	28863	63698	37188	17306	42546	14784	20752	27110	30510	33412	34227	52351	74991	59860	24441	31092	14143	29242	17859	23927	21242	18685	20523	21790	28641	15231	78749	22167	29855	20801	42069	50726	64045	18489	0	0	0	37072	67679	0	26315	23397	31173	28008	19861	0	38405	25665	12325	25869	18928	30819	29352	37021	39371	31109	13703	29588	17890	36464	41233	42827	56971	20400	16769	21215	12404	17789	0	17085	26687	29395	21809	27633	18242	25093	30964	17882	25592	18095	19567	38964	30659	37162	50397	40810	54100	0	31011	35054	24490	26812	27057	27233	15540	39474	29095	25481	21370	0	16524	41204	Phytochemical	0.36842105	1.1578947	0.10526316
2	C19 H22 O7 N2	391.14996	391.15063	-0.18330249	391.1499	11945	11864	10715	9653	9054	0	8052	10823	11166	13782	14104	10294	19802	5378	10372	3599	12591	12765	13309	13325	26415	17664	11743	9605	4409	7225	1697	9300	9732	6053	9955	7375	14797	8435	23912	9849	8896	8430	15439	14388	23198	7013	0	0	0	6989	15443	0	8137	7384	11173	10515	9308	0	17579	10064	6360	9660	6284	10946	3958	10624	16099	14170	4948	15106	8883	15512	12446	12661	19351	8514	7685	7658	2604	7861	0	7960	12794	9019	10819	8294	6059	7255	9940	5928	10332	9535	8921	23368	6476	12621	19127	17784	6374	0	11810	11852	8934	12681	10752	9424	9851	9772	8998	12377	8285	0	8735	16330	Phytochemical	0.36842105	1.1578947	0.10526316
10	C16 H26 O7 N2 S1	391.15335	391.15344	-0.27327985	391.15323	0	4563	3984	0	0	0	4035	0	0	6522	5607	0	4767	0	4302	8661	6321	0	0	3951	3570	5685	4482	5712	3996	0	0	0	0	0	5613	5172	5334	4143	6138	4782	5046	4212	6276	0	2904	0	0	0	0	0	0	0	3558	0	4659	0	2571	0	0	1902	4125	9063	8514	0	0	4950	3420	0	0	0	0	0	0	0	0	0	0	7758	0	0	0	0	0	0	0	3810	0	0	0	0	6405	0	2439	6648	0	10116	10263	1104	0	0	0	0	0	0	0	0	3024	0	208656	6687	0	0	6750	0	Organosulfur	0.4375	1.625	0.125
22	C24 H22 O5	391.154	391.15442	-0.06293434	391.15396	32553	31959	22802	28152	31696	21674	12885	23737	24830	49057	54615	7230	18642	15192	20224	22438	18839	25027	28594	36039	63866	38173	22827	29849	24158	129700	12211	53705	23176	17535	18192	7286	21328	19094	52365	18409	33473	15723	16033	48566	58212	19849	0	0	0	29724	40350	0	22061	20825	26930	30265	26673	672	21823	18529	17540	26580	20607	17931	21077	36869	22093	17148	9989	29377	24733	23151	125251	96596	134815	20264	14287	11513	14554	16330	844	15348	28706	30178	28511	23278	14938	43735	21685	17394	28453	17120	21403	28958	26944	28905	33633	33193	31217	0	22020	25883	21744	20195	22521	27043	16403	24315	19666	30900	26035	0	24164	26366	Phytochemical	0.20833333	0.9166667	0.0
18	C24 H22 O5	391.154	391.15442	-0.20965338	391.15393	6418	6770	6497	4454	4129	2155	4023	6635	5345	8424	10369	1984	2447	3874	6566	9896	2623	7377	5818	5883	9106	9162	5115	8883	5473	31404	4263	7685	3472	5382	6520	3954	3436	0	4357	0	4272	5996	6673	6367	8881	4171	0	0	0	5368	4569	0	3310	5706	4535	9122	3955	0	5076	3906	3818	9168	5210	6518	5553	4916	6540	4291	3161	7254	6253	5724	21122	21458	35365	5051	2530	4734	3771	0	0	6010	9252	6106	8085	5235	6616	3895	7280	3902	7118	3609	4988	8387	6367	3804	8794	7318	5356	0	6326	5389	5128	3949	3291	5710	3727	7187	4084	6189	3947	0	6183	3956	Phytochemical	0.20833333	0.9166667	0.0
26	C24 H22 O5	391.154	391.15433	-0.1355801	391.15396	4470	5900	4322	4264	5432	3121	0	0	5998	6099	12342	3182	4563	4011	0	0	0	0	4728	5152	8834	5146	0	0	0	34834	0	10588	0	0	0	0	0	0	7533	0	2660	0	2679	6312	14318	0	0	0	0	0	8807	0	0	0	5876	3616	4493	0	0	0	2897	2967	3471	4767	0	4504	4599	2542	0	6937	5192	3427	39421	18327	29563	3801	0	0	0	0	0	2928	3586	5207	4031	6594	2910	9025	4998	0	4310	3980	2705	4008	0	1870	0	9367	0	0	5575	0	5323	7728	4558	0	0	0	0	1550	0	0	3217	4432	Phytochemical	0.20833333	0.9166667	0.0
20	C24 H22 O5	391.154	391.15442	-0.10852262	391.15396	11761	15070	12689	14016	10951	4804	5759	6606	8763	25164	25930	6721	7128	11274	8318	12302	10659	9760	10553	19702	20979	16093	10140	12442	7944	77834	5764	25153	7392	6787	7760	7667	6880	5916	23294	6441	10377	7799	9330	18838	22791	8480	0	0	0	13125	14283	0	6336	7876	13706	12688	7745	0	4657	7263	5840	8668	7239	11812	9900	10797	11868	4582	7151	8973	11422	9398	61499	59971	96309	8782	7487	5016	6289	8577	0	5256	11821	12339	10182	8443	9266	21619	10469	9086	16957	8270	7665	15322	10297	13654	12448	12069	12672	0	15155	14258	10982	12126	7134	9253	6295	10662	7414	11676	8321	0	9437	12067	Phytochemical	0.20833333	0.9166667	0.0
24	C24 H22 O5	391.154	391.15442	-0.07055482	391.15396	12412	14298	13701	13454	13306	4564	2404	10097	11071	24682	38631	4639	11983	7332	5299	10134	7186	10778	13916	21023	24433	13418	8094	7834	6901	93181	3786	36816	5913	3484	4892	4389	8537	4473	20706	5103	9143	4248	6739	27104	29590	9453	0	0	0	19550	24366	0	4312	5574	14729	12708	15419	0	8642	8634	11175	8623	4804	7897	8356	20784	11128	5702	8259	14910	19085	8582	90163	55717	100233	9036	5621	3689	4056	3449	0	3980	11477	15239	9320	18279	7059	26167	10263	8858	14001	11042	10777	8375	5840	8908	12676	19884	10660	0	14697	15080	13194	12066	15468	6361	5191	10776	12741	5264	10688	0	6835	13478	Phytochemical	0.20833333	0.9166667	0.0
10	C18 H22 O6 N4	391.16122	391.16162	-0.36177522	391.16107	65823	62686	63656	60569	36360	29405	32760	43508	40736	168885	80137	26014	40420	23396	37181	47727	41624	45611	70284	137702	175797	94409	41348	59748	39968	120404	31541	70141	43403	42482	38883	48026	60860	75107	190428	50899	55085	38606	9629	136814	130345	27262	4056	3256	0	77060	80172	2848	46619	41062	63123	79359	32074	1504	45879	26295	17066	61345	46968	53332	0	78300	35224	35938	26217	46708	35493	56658	107852	184444	210120	48323	39386	30079	8692	41652	0	32136	41589	57657	81912	45827	36910	71536	31418	21800	41846	24925	4472	78342	64818	56836	77449	88523	103441	2084	66845	66723	32611	26580	26268	9056	28805	69024	63268	53590	30462	2060	44889	44738	Peptide	0.33333334	1.2222222	0.22222222
6	C18 H22 O6 N4	391.16122	391.16177	-0.253034	391.1611	10983	12978	16462	10611	3458	10033	9001	11701	3608	7794	8689	8291	4602	2292	9557	17847	11864	6932	6288	7819	10414	11735	9291	19114	7637	1989	6088	26092	10706	10376	10843	13665	0	12059	10034	9583	13251	9529	14090	10064	13390	5550	0	0	0	10915	10679	0	12842	9676	12515	12495	5579	0	5422	2456	3658	0	7917	9811	13240	6615	5559	7277	3517	5747	7123	18114	0	5025	6135	0	8398	9194	7091	9491	0	8070	9950	70475	7792	6868	7914	6102	4102	3357	8870	7093	5088	26935	48866	0	27931	19712	14064	0	10174	11259	2336	1907	2190	12334	5647	14187	0	15947	3070	0	8207	5782	Peptide	0.33333334	1.2222222	0.22222222
0	C15 H26 O6 N4 S1	391.16458	391.1653	-0.44479576	391.1644	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3444	745	0	0	0	0	0	0	0	0	0	0	0	0	1180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34892	0	0	0	0	0	0	0	0	0	0	4315	1694	0	1199	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.7333333	0.26666668
16	C18 H27 O4 N2 S1 Na1	391.1662	391.16656	-0.25229686	391.1661	5139	6312	6432	4976	3041	2779	2339	4705	3461	9116	4877	3140	4577	2264	3401	5594	3217	3871	4508	9427	14624	4186	7693	8776	3395	14859	4313	5481	4905	3495	5188	6021	5330	4149	8087	6303	3231	2738	5766	6205	7522	3224	0	0	0	6181	4338	0	3735	4594	5879	6041	2514	0	3468	2676	1787	5606	1769	3880	0	6580	5427	4535	2091	2961	2422	5000	11106	17595	23129	4415	4320	6588	4226	2582	0	5518	6586	0	3916	4376	1607	4972	2343	2415	4618	2379	4579	0	0	3166	0	5010	3647	0	6153	4536	5065	3682	3248	6348	4042	4289	0	0	2046	0	3906	4585	Organosulfur	0.22222222	1.5	0.11111111
8	C16 H26 O9 N2	391.1711	391.17163	-0.1943523	391.17102	14333	14049	12115	18206	3121	5714	9987	14741	5230	20004	4565	10309	6156	2322	12685	22200	14004	15670	8775	9534	12385	20436	10369	18484	11792	0	5642	0	15298	12168	11504	17547	14807	10198	22320	15083	18660	12082	18139	14339	31376	8553	0	0	0	9837	10007	0	17895	13164	12164	7534	5905	0	9035	2841	5176	17327	9708	0	9611	7022	4013	7963	0	8206	6433	16628	0	10553	6889	17186	13683	13099	9804	11983	0	10022	11706	11168	9649	7270	5484	14548	6685	0	12713	9359	9999	24822	14060	16399	30400	7361	10660	0	13977	14506	4541	2872	3208	17563	8934	9707	0	16996	4340	0	9946	6374	Lipid	0.5625	1.625	0.125
8	C21 H26 O7	391.17514	391.17563	-0.24285898	391.17505	65966	66632	45438	61356	14777	11760	48906	75714	18726	49614	42770	23286	17420	9519	48658	81970	35972	14024	41582	39130	61538	67962	54930	76994	42956	53090	58708	16645	59778	31635	54342	58786	57666	46266	60238	65810	60110	49742	73610	61056	60988	17419	3815	1946	3765	71794	73624	2931	66054	65138	55302	56866	14348	2213	20656	15772	15729	70148	25789	30977	32947	35024	14465	15702	10279	14689	11684	40812	32448	68638	39224	27264	50092	61226	43266	70948	2402	46434	66646	17320	63928	24890	29149	37096	19242	12217	29765	10743	16956	75922	25749	27015	72806	20012	58962	3612	62474	71278	16356	19759	17553	58722	20484	37769	12775	47438	15468	2302	51820	13891	Phytochemical	0.33333334	1.2380953	0.0
12	C21 H26 O7	391.17514	391.17563	-0.15362711	391.17508	289956	337960	306386	315489	147451	117195	263565	659598	185307	578498	222059	187332	139384	89500	210009	371195	299332	163596	227687	815812	699036	343720	229439	361891	198488	766984	273590	222758	251358	577288	526960	300088	499816	202939	629428	553184	242159	220446	634118	495032	378380	141539	8479	3948	3883	493058	314143	4264	634248	629872	599116	337663	143129	3757	209299	156559	126516	324307	249189	322555	367201	181907	210534	166297	94180	163850	146521	309397	425757	857744	999342	435880	242819	619802	313586	597436	2997	389436	293610	175756	543304	386758	459480	330058	207912	125020	269427	113601	145546	415500	246805	266901	681498	167749	521190	6751	667626	316408	160588	186283	179753	314574	185883	354248	203527	481056	158576	3002	485144	180019	Phytochemical	0.33333334	1.2380953	0.0
6	C21 H26 O7	391.17514	391.1757	-0.21243198	391.17505	18356	15286	15828	8793	4295	4596	8769	22576	7292	16696	7600	7109	4780	5527	8020	9420	8592	5814	7114	8224	20272	22426	9477	14692	5624	17300	9237	5342	12835	23314	20826	9440	18244	12814	18104	11103	7544	8503	11871	7247	18846	6870	2666	2197	2647	9547	13098	2711	12786	11685	10538	13244	4948	2484	8358	7360	5868	11584	6904	9733	12175	6444	5080	4767	2927	6315	4861	14382	11429	7171	11446	8936	8132	9946	4566	12859	2376	7867	7897	5099	9806	21140	18806	5701	5716	3646	9265	4423	7658	8851	7122	5447	8622	5022	12046	3472	9278	16078	4615	6228	9564	10182	9203	11110	8366	9034	3516	2232	8041	3744	Phytochemical	0.33333334	1.2380953	0.0
28	C21 H26 O7	391.17514	391.17554	-0.15825754	391.17508	36115	33386	30301	29773	35491	24789	17623	36001	33446	49809	27769	18869	56525	27433	24846	37872	28618	47751	47099	54400	53460	34335	33775	39020	22375	47155	16296	29156	30540	34202	31968	30285	34106	28729	52321	33951	32482	20653	26313	33267	28381	22974	4999	2163	4453	28449	21514	3192	33779	31016	33991	31297	28696	4830	42232	31239	18396	38795	20191	16316	41454	18948	43945	27593	16580	48284	28114	27063	48668	70895	65084	27249	23183	28524	20637	28947	4247	18687	33969	19771	24414	16605	19697	21423	32624	20445	35772	25284	22914	26426	35377	36969	36884	18320	31307	3110	30737	32679	21726	35717	37354	36654	21852	35953	16433	29302	19683	3458	21028	42954	Phytochemical	0.33333334	1.2380953	0.0
14	C21 H26 O7	391.17514	391.17563	-0.11651699	391.17508	761286	1501140	1382916	1537722	457105	342011	575774	1534172	530151	1668770	608402	547771	500776	299398	1103422	778590	689532	523327	574756	2076118	2174350	716067	1292308	828608	1079392	2605068	1127166	601608	1238764	1389826	1250924	764237	1451326	1055514	1951096	1364156	1340770	1120758	1486922	1489398	801139	413437	18596	4927	4100	1233038	715877	4634	1509866	1351516	1464262	665287	444821	5786	576513	446269	394596	1692154	645114	664267	883236	880448	588426	487490	294769	487112	385550	1557768	1097901	2935148	3181180	1209652	1200832	1407544	646019	1445134	3249	1030984	1569680	447215	1514374	1007168	1271968	1132704	577617	363847	1576160	376280	432105	941299	584388	604189	1727654	420494	1043994	9495	1437336	682852	425279	601332	527134	649075	1004412	1623866	472688	1282426	440418	4733	1301474	512250	Phytochemical	0.33333334	1.2380953	0.0
26	C21 H26 O7	391.17514	391.17554	-0.1328921	391.17508	70339	70132	69197	61980	71896	57858	27715	70135	82090	107730	55501	41448	128629	53555	56835	82091	45999	105119	108632	113550	122602	70059	66821	79682	44378	95784	29968	50789	68938	56788	59249	62616	79347	58813	121081	67242	82179	40552	47539	77262	62963	47281	5987	0	0	59230	50318	7238	75151	53125	77477	76555	60845	0	96537	80511	45215	75277	42818	31687	78715	47312	100114	70920	28711	89549	64874	58707	109795	158053	154525	63818	57988	68701	39899	57098	0	46787	73012	36165	59646	40037	40580	48191	86105	48488	71282	49564	52338	54708	68767	59052	94258	37833	72295	6025	64368	79361	49646	80768	83299	69228	41342	62468	39962	54665	49816	7128	45415	111355	Phytochemical	0.33333334	1.2380953	0.0
24	C21 H26 O7	391.17514	391.1755	-0.10747463	391.17508	236377	227833	208906	231894	223483	193091	95589	196724	236156	376432	172843	124411	407684	151286	182058	194863	110857	325961	324744	400811	361613	224692	200559	219028	148269	304960	85932	171287	185190	163647	172282	184457	225603	178288	431438	190759	280413	138230	124912	254366	176698	116308	16019	8331	12979	199336	155835	8147	204785	160292	221045	220400	165221	8219	290457	210957	115538	204721	168726	82027	210172	168731	294367	234113	92462	302512	152329	126865	288504	515848	427815	195097	168152	163690	112092	173530	9926	149503	217480	93722	177719	117950	122554	154269	236597	144434	190930	125994	158171	134391	206448	208805	267790	123271	195786	9740	217790	215268	155684	228926	231990	187624	123359	198810	125482	183564	151315	8341	130076	366668	Phytochemical	0.33333334	1.2380953	0.0
28	C18 H30 O7 S1	391.1785	391.17838	0.1185878	391.17856	0	1424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	912	1145	0	0	0	0	0	0	0	0	1180	0	0	0	0	0	0	0	0	0	0	0	879	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1013	20241	16110	0	0	0	0	0	0	0	0	0	0	0	0	0	1380	0	0	0	0	Organosulfur	0.3888889	1.6666666	0.0
26	C18 H30 O7 S1	391.1785	391.17798	-0.16586722	391.17844	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2039	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6555	0	0	1411	20307	8987	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3772	0	Organosulfur	0.3888889	1.6666666	0.0
2	C15 H26 O8 N4	391.18234	391.18314	-0.1073028	391.1823	3129	1753	1058	2020	746	14611	759	1634	0	460	2863	1460	538	0	938	468	2059	860	1128	0	0	915	1378	1953	604	0	0	21630	1812	1067	1578	1595	2861	1499	0	1003	1721	1261	0	0	0	0	0	0	0	442	0	0	1119	457	2806	2715	609	0	375	403	417	1415	0	0	656	0	1120	287	0	1115	1094	1394	0	208	0	1947	2164	829	0	0	0	697	851	123706	508	0	0	0	365	563	869	1353	1053	2945	31331	13991	3350	17620	0	0	2376	2119	0	0	307	1132	1163	0	0	2214	0	0	1211	1433	Peptide	0.53333336	1.7333333	0.26666668
2	C20 H26 O6 N2	391.18637	391.187	-0.23774639	391.18628	10930	10994	10441	10597	4758	0	10279	12964	5935	10461	7733	8637	6190	2944	11448	6956	14877	7019	8335	13289	20080	16176	10628	12218	7789	7029	4889	9164	14959	8993	12680	12515	14303	11377	18976	13498	13927	9969	15582	12054	16964	5964	0	0	0	9442	12060	0	14242	12086	10343	12115	7063	0	7741	4460	4418	11575	6143	6648	8477	8820	5170	7947	2886	7032	7655	19236	8417	10841	13689	11787	11717	11789	6648	12183	0	8993	12787	11762	10693	6910	9355	9229	3948	4204	12041	6204	7029	27774	11587	11271	23317	10572	7685	0	12967	13150	3873	3662	3837	10363	8391	12553	7242	12648	3815	0	12382	8369	Phytochemical	0.3	1.3	0.1
4	C20 H26 O6 N2	391.18637	391.187	-0.17857428	391.18628	21646	24976	24986	23415	11491	14038	16150	28783	13627	33341	17454	14602	16152	8933	21913	28737	24124	16810	21641	37614	38682	38523	21654	31056	22134	21136	17854	13376	22885	21082	21045	21893	27604	19576	40386	21081	26337	17539	29798	32930	28334	15638	0	0	0	26166	31045	0	26765	26545	24447	21525	12072	0	23367	8966	7938	29191	12769	12031	28147	20627	13304	15314	7706	14590	14548	22598	19022	30012	28555	22540	20222	24075	18778	20693	0	16680	23953	21306	19376	12608	16415	19686	10861	11046	21651	13438	16109	30771	41054	31368	44506	21767	37557	0	23552	25917	10284	10186	10077	26646	14374	34567	18284	22869	8802	0	18874	13835	Phytochemical	0.3	1.3	0.1
6	C20 H26 O6 N2	391.18637	391.18695	-0.19145674	391.18628	57530	62999	58439	55912	26201	29596	47009	66535	29353	96377	43193	33856	37863	16530	51577	65147	42898	42379	50441	101682	110132	87369	41145	76584	50459	46477	37602	39871	60768	55065	55528	65455	75861	52428	107580	61647	66680	45784	54007	68341	68199	30757	0	0	0	64984	67440	0	76597	57311	56498	59099	31610	0	41985	19155	19463	67630	18346	26564	72547	46317	32058	30452	13598	33821	36527	59970	40015	92520	76073	51820	52476	58576	37384	48496	0	38636	39468	43031	34796	28383	35813	48973	21430	23755	43834	30896	33603	80140	82701	65012	101968	53678	82342	0	61102	55022	17153	19403	19822	64509	34549	79083	31600	58097	21886	0	44588	39387	Phytochemical	0.3	1.3	0.1
0	C20 H26 O6 N2	391.18637	391.18695	-0.2871913	391.18625	3089	3082	4151	1832	7961	8005	1656	1633	9249	0	0	0	6086	0	1932	0	2863	0	0	1597	2353	1791	2113	0	0	895	0	592	1977	0	2357	2244	2459	0	1985	0	2337	894	3383	1301	1624	0	0	0	0	0	0	0	2702	0	2815	2097	4824	0	2699	1259	1339	1635	715	1134	0	1089	0	2268	725	5424	0	3240	1034	0	0	0	1973	2588	0	3684	0	1761	2038	2034	1488	496	0	0	941	1432	1543	0	1635	2776	1193	1175	3329	1326	0	0	3248	3066	6109	2295	3401	2610	0	0	0	1866	12809	0	1527	74587	Phytochemical	0.3	1.3	0.1
24	C25 H26 O4	391.1904	391.19077	-0.11458964	391.19034	26707	31336	24651	31616	30679	17306	14358	22127	21713	26471	51548	16470	20860	16504	23067	36736	26051	20886	31901	44813	42178	27487	23751	33793	20496	147307	13222	44536	22500	29262	24331	23207	26779	19303	28468	29813	25231	18495	24706	40329	49462	19233	0	0	0	26497	36093	0	25291	24753	31617	27363	26926	0	16508	20525	16715	31703	19275	18083	32698	28579	24770	13813	10965	28322	30739	29706	122090	77570	129963	22302	20949	22776	14563	22779	0	19119	32953	26245	25194	22174	19766	33557	24697	15972	36127	23463	22656	35923	21247	22062	35350	29151	20823	0	25096	31698	19785	19565	22675	31649	16060	36511	17716	27221	23345	0	28443	15938	Phytochemical	0.16	1.04	0.0
26	C25 H26 O4	391.1904	391.19083	-0.1146275	391.19034	17540	14300	13663	13126	16962	6095	5271	16917	12002	12762	26714	8468	11567	8563	10078	15374	10816	8185	15649	21304	14413	12543	9467	16855	14791	72599	6617	28199	9557	16069	13910	8669	13373	11211	18399	11997	10782	7332	10825	18910	25322	13516	0	0	0	17336	15019	0	12324	8739	14355	15183	12671	0	14002	18180	8457	13141	10176	8989	14056	13849	6623	7941	6388	18900	21116	13255	73523	26964	56583	12939	13588	8556	6917	11536	0	11669	15649	15142	11838	11772	11572	25948	13675	7649	17185	13469	11241	9732	8779	10925	20184	15037	11293	0	18498	12444	12645	14637	22880	13304	7794	15650	10231	9710	14841	0	12072	8650	Phytochemical	0.16	1.04	0.0
8	C19 H26 O5 N4	391.1976	391.1981	-0.19819768	391.1975	5341	4362	3146	3808	1167	3567	2331	4655	0	1921	3724	2177	1099	1768	2848	4280	4498	1199	1952	4056	2824	0	1884	6596	4373	0	2207	14062	3874	3476	5305	3976	4135	3473	2116	4462	3802	3073	4916	2857	2223	1438	0	0	0	3320	0	0	3017	2918	4769	5705	831	0	0	0	866	3853	0	1773	0	1573	0	1033	0	0	1455	6589	0	0	0	2821	4042	3299	1661	2793	0	3145	4240	162635	3425	957	1679	1315	0	0	3917	2153	0	6715	156712	48632	12453	16881	5358	0	4546	5370	0	0	0	4797	2913	3332	0	4287	0	0	3917	0	Peptide	0.2631579	1.3684211	0.21052632
6	C16 H30 O5 N4 S1	391.20096	391.2012	-0.2151107	391.2009	0	0	0	0	0	2567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18821	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	387	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30193	0	0	0	0	0	0	0	0	0	0	22125	6927	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3125	1.875	0.25
20	C19 H31 O3 N2 S1 Na1	391.20258	391.20297	-0.20237519	391.2025	11079	11188	10086	5858	11802	9508	6523	8861	8080	13698	9834	8296	11146	5798	5929	10915	8255	11869	13859	22499	26854	6939	10737	7088	6848	25711	7066	6056	8733	11712	6939	9004	11486	5675	17581	8201	11223	9229	11788	13058	10595	4530	0	0	0	4803	5937	0	9141	7190	10272	9400	8073	0	8150	7617	6185	12633	6120	7055	10822	7864	8905	6208	3025	8818	7421	13598	27011	33464	43097	9377	10363	10719	9252	11436	0	8320	7915	7300	5344	6279	8469	0	7942	7573	9881	4801	7594	8815	8231	6110	11897	6100	5075	0	11509	9523	4029	6231	9482	12517	4401	12139	2880	8479	8673	0	3529	9079	Organosulfur	0.15789473	1.6315789	0.10526316
18	C19 H31 O3 N2 S1 Na1	391.20258	391.20294	-0.2849718	391.20248	7441	6320	6848	8486	4242	1864	4044	2890	2879	6830	7916	3119	5188	2058	5638	5704	10977	4003	5179	12294	10443	2802	3633	9077	2592	12095	3806	5347	4751	4292	3727	6872	7544	0	9327	3126	6657	6395	6093	5430	7419	2993	0	0	0	5164	4332	0	8146	7298	5874	6893	4738	0	4347	4034	3284	8672	2568	5214	5036	3566	4666	3772	1021	6561	8279	6886	14866	17799	25581	3404	2565	3533	7752	4953	0	3748	6732	4749	6330	2076	3248	4005	3852	7197	4639	3689	5053	9500	5358	4679	3071	3361	3696	0	5482	5418	5099	7751	4381	3398	2770	3776	2817	4396	6030	0	4170	3225	Organosulfur	0.15789473	1.6315789	0.10526316
22	C26 H30 O1 S1	391.209	391.2095	0.086457305	391.20905	1429920	1421162	1277745	1432257	1221078	1040302	910130	1343451	1283729	2250503	1340075	755882	1140649	853467	1022027	1407914	1031764	1573552	1663240	2681348	2642468	1345520	1017486	1290995	1074120	2516063	808515	1352858	1415252	1173584	1088083	1341510	1649056	1207905	2370366	1387294	1711078	914859	1112640	1539805	1210443	882513	36504	6933	3719	1085399	897799	10072	1322800	1138188	1444747	1396963	1101847	8390	1509918	1148532	771781	1481506	1018526	695042	1357036	1013484	1349153	1148134	646506	1304474	1057512	1066349	1992316	3403881	2937352	1086401	1062827	1165076	961250	1225544	3738	852700	1214959	726629	900318	722365	1009084	1021262	1272783	919096	1297748	867970	1047224	1102404	1481291	1557206	1510904	865893	1312984	13552	1241487	1447245	890326	1266152	1170569	1629348	821368	1394014	744065	1149385	1014026	8919	923678	1524557	Organosulfur	0.038461536	1.1538461	0.0
26	C22 H30 O6	391.21152	391.21194	-0.09668352	391.2115	160959	157618	146337	147707	151423	106057	94036	174681	160043	199933	124096	81252	225105	111213	126673	165431	100794	221669	282004	266911	250878	182039	120228	164728	126037	225632	87869	138580	178377	177916	157522	165973	199984	135403	267938	185097	243445	102963	105136	170954	132727	106173	6692	0	0	130009	100793	0	164603	136038	168705	155516	128018	0	205276	169444	94059	180290	127697	67913	170348	107908	198862	139522	73207	193295	144350	120283	203780	352568	290554	141913	136758	154663	105025	152449	0	104387	138619	91498	107195	81858	115288	114716	151548	104789	148697	99837	132230	124044	181620	190974	218099	108978	154508	5370	159277	178284	98006	161613	160065	201902	91497	178114	101182	132721	107048	0	106378	196483	Lipid	0.27272728	1.3636364	0.0
12	C22 H30 O6	391.21152	391.21198	-0.22096677	391.21143	38338	43742	42505	41257	15936	12243	48261	36014	20913	29126	18887	30328	12026	12044	22261	54511	56996	16445	22618	30586	21930	26890	26962	44196	24957	25518	49561	18821	33631	48529	27793	40006	31885	20675	25798	45843	34113	33626	59899	14310	34911	18151	1832	893	1405	29783	31701	1471	49442	49070	43655	41194	14965	823	28471	23173	17322	56100	28378	29706	38546	11273	19089	17202	15867	15928	16345	70567	24685	21609	39808	19678	28674	46783	68996	40790	769	27615	37314	0	35477	23117	28307	10823	31278	16401	40046	11870	16982	83763	40641	34749	45067	12432	32445	1115	43738	40457	18939	30707	37202	41945	24860	45744	0	32807	22271	984	41504	18121	Lipid	0.27272728	1.3636364	0.0
20	C22 H30 O6	391.21152	391.2119	-0.13348946	391.21146	1241221	1279885	1286626	1165660	1149342	843725	909516	1149684	1064004	1645645	1132473	810282	1135661	746895	1004259	1341569	1294366	1194498	1572220	2104166	2122532	1121181	834117	1182458	866470	2315317	934109	1113896	1227875	1050551	929135	1196994	1425989	1003016	1695458	1196835	1412962	825048	1309804	1241657	1208634	847464	24616	6472	2930	856570	824160	8089	1217080	948200	1253666	1272749	984707	7388	1136976	1023869	736346	1313604	853270	836544	1170634	750007	1114838	1012260	604018	1095563	884170	1303119	1781265	2808441	2816696	910951	1010361	1070265	1332279	1121484	2824	816222	1173370	731142	865808	550236	1010586	949299	1120959	804077	1292575	886524	973775	1209869	1214754	1208585	1316110	734911	967425	9075	1222290	1274798	840200	1172809	1222848	1472160	780610	1275753	620861	986183	978758	7357	885537	1263084	Lipid	0.27272728	1.3636364	0.0
24	C22 H30 O6	391.21152	391.21188	-0.11539603	391.21146	737375	734324	713171	737925	702287	551421	392683	649780	667460	1173655	678030	337531	912685	438652	568103	683554	429432	956762	1194009	1496005	1345003	774325	535996	698061	512799	1189635	343162	731784	705259	606946	573299	685415	883608	627934	1480755	748949	1052784	444297	471063	910640	573350	439645	22664	4156	5289	611463	415695	5379	767292	512122	750276	700683	585654	7229	917749	608137	365448	790902	604475	295631	737751	571537	790823	645478	278010	779111	567098	482891	949035	1853606	1364931	628895	615108	613688	443475	631271	0	463295	617673	346474	470204	406605	507174	518045	641499	412128	669253	425872	601797	482282	847286	885476	930219	456995	724906	7295	717399	703842	427512	576590	615183	817161	377634	788945	414276	615205	432693	4897	440165	856474	Lipid	0.27272728	1.3636364	0.0
16	C22 H30 O6	391.21152	391.21194	-0.2035899	391.21143	258190	264134	266759	261264	203333	147399	262118	253430	197990	225796	185890	202934	206692	127394	218393	347755	428754	206064	279215	288772	292005	218790	233708	278315	208379	318722	249606	161640	230402	273246	242170	272414	301297	183629	250737	292287	256372	210109	483708	177359	249575	180015	7925	1971	1657	153554	202803	2432	276532	271471	262593	281532	205569	2793	235011	223119	166033	326594	170073	246396	289939	119524	224889	198582	138044	198477	174786	442062	278252	334994	408308	180044	192076	272418	374984	300309	1349	185688	344524	183467	246816	160068	258647	168417	285337	168366	393566	161179	179446	638479	242605	262255	423282	172928	202875	3276	273167	282324	177150	281781	310847	305195	161553	250464	114841	295672	225264	1823	279023	208625	Lipid	0.27272728	1.3636364	0.0
28	C22 H30 O6	391.21152	391.21188	-0.21201505	391.21143	29771	30628	32747	34131	35320	19229	29094	39081	30162	37547	27405	17620	40092	25470	23503	37053	32825	34273	48489	47961	46164	28604	24128	32221	24174	49484	31874	27213	40698	42250	33251	39372	48772	32048	47640	43936	40041	21782	29427	30069	24546	25257	2954	2224	4609	21821	20015	2106	39900	36669	30126	31716	27762	0	33760	26975	15966	44912	20597	13043	39578	16834	32359	28031	19390	43752	31918	31595	44559	63988	74521	25024	26381	33815	31091	32113	3975	19608	34250	18500	21157	16504	26189	20651	34358	23174	37479	22482	25345	35479	38035	36510	39692	19554	24087	1711	30383	31978	19778	36844	39495	46366	21235	36175	19617	30517	21409	2374	20280	34911	Lipid	0.27272728	1.3636364	0.0
28	C19 H34 O6 S1	391.21487	391.21472	-0.08327622	391.21484	0	0	0	1063	0	0	0	0	0	810	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6999	0	0	0	0	0	1136	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10043	0	2105	0	0	0	0	0	0	0	0	32305	20031	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.31578946	1.7894737	0.0
2	C16 H30 O7 N4	391.21872	391.2194	-0.09028803	391.2187	4333	3960	3621	3263	549	18671	0	734	0	0	2378	375	554	388	1007	460	605	3122	745	0	0	634	1099	1223	437	0	0	61167	1859	0	615	0	2701	0	0	465	2325	606	2004	0	0	0	0	0	0	0	0	0	1003	0	4100	4185	789	0	0	0	0	1734	0	0	479	0	429	0	0	1339	0	707	0	0	0	1113	740	609	0	646	0	490	1054	586801	650	1385	0	0	489	665	1105	922	0	0	122548	61490	969	32533	0	0	3379	4216	849	0	0	1161	762	0	0	1036	225	0	432	1076	Peptide	0.4375	1.875	0.25
0	C16 H30 O7 N4	391.21872	391.21942	-0.011632093	391.21872	0	0	0	0	987	0	0	1309	680	0	0	0	0	0	0	0	0	2185	1092	0	0	0	0	0	0	0	0	9367	2293	0	1394	0	3997	0	0	0	0	829	0	0	0	3165	0	0	0	0	0	0	1519	0	0	0	0	0	1091	420	0	1827	0	0	0	0	0	0	0	1601	0	0	0	0	0	1606	0	0	0	0	0	0	0	29301	0	0	0	0	0	0	0	0	1323	0	12337	6460	0	3622	0	0	0	0	491	0	0	0	1799	0	0	2139	0	0	0	2092	Peptide	0.4375	1.875	0.25
6	C21 H30 O5 N2	391.22275	391.2233	-0.20790684	391.22266	9482	9888	10796	9548	2791	4679	5998	17669	1803	17969	6606	7095	2321	2110	9347	17699	10280	3699	6901	22458	19737	16094	8458	16120	9747	7860	6571	7771	13529	10106	9906	15577	14727	10261	18743	11622	14684	7432	13919	10628	6922	4008	0	0	0	10802	7843	0	18161	10503	10823	9161	4389	0	5118	1102	1514	18783	0	868	14015	6622	2975	2176	1833	2961	4989	14676	3818	14861	7675	12277	10733	8983	12936	11359	0	6428	7970	5530	6366	1517	2651	8256	1371	3104	10162	5265	6100	20615	18627	8891	26151	8245	16742	0	12450	8628	1660	1372	1574	10175	5408	13315	0	12225	1201	0	8543	2475	Lipid	0.23809524	1.4285715	0.0952381
20	C21 H30 O5 N2	391.22275	391.22308	-0.3155053	391.22263	6519	0	7559	5407	2737	3298	6721	7533	1305	2519	5664	3679	0	3152	6049	10094	9226	2667	2762	3429	8312	8037	4410	14624	6644	3992	4275	6014	9019	8602	7008	8265	11169	8140	7757	10433	8443	4978	12466	9617	8857	3901	0	0	0	6346	3808	0	13734	9369	10998	3611	4419	0	0	0	2276	12653	4343	9163	7961	1939	0	3609	1881	4442	2797	12615	3459	3922	5851	7354	9744	9126	6057	8671	0	4776	4353	4737	3020	3947	8055	0	2003	3258	6310	6112	4029	17915	23390	13844	15031	4395	0	0	8401	4973	1551	1741	2060	10908	3672	6685	5118	10519	3062	0	8560	0	Lipid	0.23809524	1.4285715	0.0952381
8	C21 H30 O5 N2	391.22275	391.22327	-0.1934158	391.2227	13522	13917	10780	10684	3964	6152	7404	15730	2980	15103	5551	7630	3081	3081	9537	17755	12137	5663	8597	26827	23585	18589	10015	25317	11768	8273	8813	8610	17335	12890	15837	18001	16450	15655	24989	15536	20516	11015	16098	23944	6749	7429	0	0	0	14211	9261	0	20362	13087	12736	13620	5242	0	6760	1753	3630	18959	0	987	16442	8171	2076	4925	3649	4492	7347	18908	5173	19916	11879	14881	14674	12243	14035	14429	0	9050	11154	9399	8689	1726	2009	14892	2399	0	11489	6446	6114	27841	29041	9595	35121	9850	22397	0	14140	12265	2171	1986	0	14384	6954	21996	0	17608	2042	0	11847	3694	Lipid	0.23809524	1.4285715	0.0952381
14	C21 H30 O5 N2	391.22275	391.22318	-0.18460384	391.2227	6786	6661	7970	4775	3717	3150	6135	12290	2534	6243	2700	4931	0	3069	5764	15047	9070	0	4542	14278	13216	10416	4675	9694	6959	6738	6042	0	9186	11597	7063	8193	15131	8198	8161	9250	14009	6420	12558	10861	8238	3103	0	0	0	9724	6067	0	10459	8220	5337	8336	3600	0	2511	1697	2138	12985	0	0	0	2627	0	2078	973	2860	3711	15330	0	11337	7811	7245	10993	8006	12670	7981	0	5415	4867	0	5658	2267	2286	7460	0	0	7593	4759	3973	24309	20645	7690	18265	4612	11104	0	7292	7756	2007	1000	0	11057	4590	8268	0	14493	1410	0	6950	2846	Lipid	0.23809524	1.4285715	0.0952381
12	C21 H30 O5 N2	391.22275	391.22324	-0.19858368	391.22266	8762	7986	8629	8525	4312	5201	8510	12269	2479	9350	6347	5226	1377	4127	7058	12263	9553	2768	5368	16327	15317	7798	8912	10214	9061	13261	6142	0	11769	7422	11880	13190	17505	11750	17548	11341	12106	6159	12152	15718	3741	5983	0	0	0	7236	4797	0	10738	10512	9589	8626	3805	0	4557	1544	1727	14438	0	0	0	3532	3842	4434	2386	5009	5804	10946	0	22993	16031	10742	9427	7435	6995	8955	0	7470	6352	0	9258	1691	836	7979	1549	2119	9770	6240	8361	22476	26081	7356	20747	6661	9463	0	8901	8693	1592	2472	1614	16339	6352	9120	0	11607	1616	0	8334	2634	Lipid	0.23809524	1.4285715	0.0952381
10	C21 H30 O5 N2	391.22275	391.22324	-0.1930417	391.2227	14159	10565	11869	11297	7582	8610	9108	21025	3473	17721	8648	7079	6393	2541	10447	18915	13141	4691	8421	26869	23701	17172	10202	19552	15374	11177	10449	10893	19193	11155	14013	14237	24095	15068	23267	13754	23701	8012	12941	22377	8405	5685	0	0	0	13584	11512	0	15543	12336	12600	11315	6296	0	5058	1789	3353	22801	0	2849	19924	7293	2011	3630	3036	5484	7195	16585	0	21451	13624	14997	12995	13956	11400	12700	0	9447	10762	5172	9637	1101	2927	10628	2810	2431	9997	9146	7225	22306	27703	6218	26854	10985	20955	0	14161	10564	1421	3173	1658	17374	6295	17724	0	21601	1696	0	13362	3060	Lipid	0.23809524	1.4285715	0.0952381
18	C17 H31 O1 N6 S1 Na1	391.22504	391.22574	0.08678512	391.2251	2565	2774	2210	0	0	0	0	0	0	6730	2003	0	0	2282	0	1492	0	0	0	0	0	0	0	0	0	0	12586	2409	0	0	0	0	0	0	0	0	0	0	0	1883	6641	0	3629	0	0	0	0	746	0	0	0	0	0	0	0	0	0	0	23773	3854	8175	2920	2420	0	0	0	2589	0	1467	0	0	0	0	0	0	0	0	0	0	2476	0	1282	0	0	0	0	0	0	0	0	0	2269	0	2264	0	0	0	0	0	0	0	0	0	9528	15789	1758	0	764	0	2290	Organosulfur	0.05882353	1.8235294	0.3529412
24	C26 H30 O3	391.22678	391.2271	-0.22051941	391.22668	21989	29292	23901	20412	26439	9001	17848	24195	16921	14197	28596	20632	11561	13339	17246	33016	47113	12188	23225	20911	26298	18634	22240	28478	17631	68227	13229	23895	23422	26831	19435	27358	30231	15026	15366	31175	29139	20439	41998	20732	29256	16659	0	0	0	13561	15000	0	29935	30184	26147	28275	28930	0	16136	18606	14731	26772	17071	18957	32123	11934	14013	15373	10240	12704	23765	42075	49905	36266	54829	17772	17497	26747	30769	25919	0	19190	27595	20162	25283	20195	20724	21625	22215	18542	39015	18369	23664	38671	16008	14992	28231	16317	17057	0	20138	25611	19295	20908	25777	29672	20350	27962	12633	21212	18190	0	23447	14271	Phytochemical	0.115384616	1.1538461	0.0
22	C26 H30 O3	391.22678	391.2271	-0.28715092	391.22665	9789	15296	11838	14465	12081	6322	13555	14303	14305	6205	14379	12596	4480	6069	17554	22391	37760	6236	16933	6226	7181	9453	15427	14735	12965	29317	18069	12542	16779	20276	13381	16139	16280	9073	6905	18598	14339	15696	33067	10399	18851	8958	0	0	0	8493	8897	0	13967	19559	12074	11787	11171	0	10616	8596	9250	18159	8905	10471	21148	8475	7090	7881	9015	9361	9443	34271	21206	20062	30538	7533	6341	14832	19084	15350	0	10895	29875	8093	18476	7938	13518	8955	17194	7367	31550	11580	11722	28531	10544	9497	14722	5418	10910	0	13799	13187	10710	14814	19581	19753	11780	16063	6082	13592	13017	0	20379	5311	Phytochemical	0.115384616	1.1538461	0.0
26	C26 H30 O3	391.22678	391.2272	-0.14269187	391.2267	18273	19959	21020	17858	24870	7895	11119	22546	15300	12804	27978	16976	9225	11153	17086	33650	24391	10172	19953	27639	16578	15827	13690	31543	18899	82381	10648	26465	35079	34824	23154	33170	23294	19467	18214	35476	21813	12186	25666	29035	25544	18800	13873	0	0	11752	13437	0	30589	29329	19844	18299	21243	0	10985	15610	11548	25761	11673	10213	22937	8873	7477	10041	8247	18140	26121	29710	55413	27391	48322	12956	16951	22818	15933	23341	0	14309	23627	25635	18387	21340	18254	23987	21737	12634	30944	20360	15842	28338	11338	10738	25125	22590	13961	0	17165	22999	15239	22157	21707	29715	13927	26702	12454	22933	19880	0	22316	9127	Phytochemical	0.115384616	1.1538461	0.0
20	C26 H30 O3	391.22678	391.2271	-0.24721035	391.22668	6564	5234	5145	6244	5750	2618	7301	5534	3356	0	1977	6345	0	2029	5879	6744	18457	0	3434	0	0	2877	3580	2746	4998	6118	9538	3347	5901	6230	5530	6014	4520	4145	1803	3591	5176	4316	17703	1301	3066	2999	0	0	0	2113	3511	0	5981	6472	6515	2574	4177	0	1858	3351	4031	5012	2247	6512	5561	1785	2683	2457	4077	2711	3963	21810	2890	5402	10160	0	1469	3720	9389	6900	0	5334	9423	4812	5907	2351	4856	0	2718	3315	6978	3295	2881	14642	5926	4151	6181	1894	0	0	5374	2499	5384	7262	4859	11732	5469	2667	1847	5433	4772	0	8472	1746	Phytochemical	0.115384616	1.1538461	0.0
0	C22 H34 O2 N2 S1	391.24136	391.24237	-0.069169305	391.24136	0	0	0	0	0	0	0	0	0	4922	5852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47532	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35363	0	0	0	0	0	0	0	0	0	0	8710	2634	0	1932	3124	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.09090909	1.5454545	0.09090909
18	C25 H35 S1 Na1	391.24298	391.24344	0.029988442	391.243	0	0	0	0	0	0	0	0	0	6203	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1662	0	0	450	0	0	0	0	0	0	0	2089	0	0	0	0	0	0	0	50950	10822	0	1592	0	0	1000	0	0	0	0	1591	0	0	1227	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1846	0	0	0	0	0	0	19549	85670	0	0	0	0	0	Organosulfur	0.0	1.4	0.0
24	C23 H34 O5	391.2479	391.24823	-0.1865494	391.24783	407674	429286	409221	418847	459178	278759	595800	311136	371863	477003	434738	204682	394871	332153	290690	453851	447749	448188	731371	624730	579009	347150	244375	293196	327564	745453	534602	493251	421844	354303	312534	427700	546073	354559	574890	454407	514698	275992	438571	407060	397209	272852	13262	2048	0	280969	259955	0	450020	275641	423606	416270	386671	0	518000	405518	257424	486415	318173	233285	413907	271269	402288	354099	244611	477446	452538	443902	502241	679937	752651	242100	309962	363262	372695	374529	0	216181	358852	305694	233446	253091	466180	420219	499713	359134	521545	305007	440811	447276	535878	532399	423472	291771	410103	4087	419892	418665	281160	410555	508447	588749	202369	452129	276089	359880	346894	2269	334787	366820	Lipid	0.2173913	1.4782609	0.0
26	C23 H34 O5	391.2479	391.24832	-0.12168226	391.24786	294084	282297	278035	285364	272781	188901	329235	251025	325068	279362	308004	135645	269988	230032	243054	265293	239341	348638	593596	446604	376114	303765	155988	214162	326328	435855	302988	389132	348221	282928	244922	301703	399453	240080	425475	372707	380662	217829	214667	311492	231751	210194	12564	0	0	217546	154420	0	288559	191836	297761	271417	271567	0	398197	357061	198251	353989	293563	127368	282096	214654	246495	247410	181003	320107	353812	241040	355939	485949	409294	180257	226295	299633	194291	269196	0	157040	261004	273631	153544	207865	315867	264764	391227	274684	409071	219789	301405	263811	425864	476481	311606	277814	318017	0	284589	325892	196039	402088	404061	475983	138433	348900	274514	237031	268909	0	299792	227748	Lipid	0.2173913	1.4782609	0.0
20	C23 H34 O5	391.2479	391.2483	-0.18562524	391.24783	98046	101085	99909	87712	86870	58616	151257	88583	78552	70541	80422	68579	76567	77115	82023	131060	199515	75034	114803	71411	82818	73784	56848	78673	82445	116546	156224	72334	97975	90679	71425	102243	111778	72874	84129	111239	102273	79352	190046	42125	72198	75655	3735	2260	585	43339	62245	1569	105970	76675	94959	105450	81157	703	99333	107670	77106	115235	47857	82285	98604	31557	86433	75124	76852	95367	87615	187560	75432	88180	127902	48083	70103	94436	178755	85689	540	58165	124085	80674	71744	45148	143361	108378	141854	102963	148657	80655	83790	191757	110849	105122	117401	50490	62551	2409	87316	103104	77105	146375	173580	132892	58838	84051	38443	94772	104870	1750	106331	66744	Lipid	0.2173913	1.4782609	0.0
16	C23 H34 O5	391.2479	391.2483	-0.23631366	391.2478	4805	5081	10222	5546	5259	3040	13522	5916	3284	2075	2450	5742	2283	4375	5369	7824	18711	2664	4271	2574	2305	3292	4196	6757	9321	2486	12039	2648	3481	7549	5652	8953	9652	3774	2179	10438	5140	5980	25937	1298	3436	3961	234	0	0	1354	2805	0	6686	6072	7462	6834	4232	0	3690	8537	5509	8076	1538	3736	0	0	5601	2983	7018	2034	4087	25651	0	1523	2261	1730	3457	10368	16360	6575	0	5059	13704	3868	8177	2318	4982	4551	16167	6895	14498	3121	3270	36831	8443	6879	0	1923	3103	0	5655	6621	6421	16336	22532	6902	5884	3006	0	0	10897	0	6322	3770	Lipid	0.2173913	1.4782609	0.0
18	C23 H34 O5	391.2479	391.2483	-0.26540214	391.2478	31352	36017	33721	29603	25423	13872	51198	30894	21278	17852	15831	24217	17493	21306	24283	45551	76927	19020	36253	19911	17863	15158	21208	27500	28527	23870	49258	14591	33205	34699	27333	36306	36188	20380	19133	35390	28152	27420	90373	7026	20625	21100	1197	0	0	9916	15178	0	32196	27393	31286	25940	25410	0	30260	40501	23925	44151	10028	25312	36000	6847	27083	18351	24335	23431	26368	79768	16331	14862	24879	17934	21455	37194	65851	26731	0	17904	47286	20897	26179	15749	32119	21622	41002	34409	64756	17256	22949	77071	33593	23880	38461	14166	16797	0	30267	27043	24396	52369	65278	43392	21054	20971	12252	27608	33500	0	39355	18351	Lipid	0.2173913	1.4782609	0.0
28	C23 H34 O5	391.2479	391.24826	-0.19516553	391.24783	32620	33942	31828	29362	33090	17536	48443	31659	31345	27794	30337	19472	34424	23518	25860	31082	28241	30544	62377	34681	32930	30072	22985	24321	36726	45294	45510	45016	42812	37063	29911	35677	49763	27388	42255	43264	42868	25207	31773	28091	23285	25094	1499	1268	0	26355	16000	2086	37800	24018	32352	27551	31734	0	41954	37671	18209	41637	39985	15669	34986	27203	30260	26621	21488	45611	48098	31105	41371	45975	42305	18794	22352	39214	18961	28153	0	21083	45684	33066	18681	25455	38505	31328	43272	24392	61842	19241	29296	36421	47224	58962	37768	36652	25552	1202	31429	30122	25255	48862	54672	52651	19805	45779	38653	32585	32389	1178	29601	26956	Lipid	0.2173913	1.4782609	0.0
16	C22 H34 O4 N2	391.25912	391.25958	0.018676866	391.25916	0	0	0	1605	0	0	0	0	0	0	0	0	0	0	0	4296	0	0	0	0	0	0	0	52699	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1053	0	0	0	0	0	0	0	2278	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.18181819	1.5454545	0.09090909
22	C22 H34 O4 N2	391.25912	391.25928	-0.19424598	391.25906	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1822	0	2722	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1527	0	0	0	0	0	0	0	2923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4185	0	0	61409	6365	3040	2335	0	0	0	0	0	0	0	0	1523	0	1332	0	0	0	0	0	0	Lipid	0.18181819	1.5454545	0.09090909
10	C22 H34 O4 N2	391.25912	391.25955	-0.13565524	391.2591	1965	1291	1867	0	0	0	0	4204	0	0	0	900	0	0	1965	9074	0	0	0	0	0	0	0	4624	2813	0	1490	0	2028	1430	1016	2213	1679	5090	0	3131	2585	1201	1555	0	0	835	0	0	0	0	0	0	3477	2956	2064	0	0	0	0	0	0	11054	0	0	0	0	0	0	0	0	0	3074	0	0	0	2512	0	1206	1181	1779	0	1737	1253	0	937	0	0	0	0	0	3639	1780	1885	21000	0	0	16719	1350	1775	0	3287	1611	0	0	0	4568	0	0	0	4490	0	0	2116	0	Lipid	0.18181819	1.5454545	0.09090909
24	C27 H34 O2	391.26315	391.2635	-0.26587823	391.26306	8279	5783	8385	6628	10398	2899	12076	13610	7769	0	3255	11865	0	6015	8718	15592	35861	3295	4143	2316	3706	2550	5669	8228	8087	5382	13448	4604	9187	19538	10104	12791	9940	5821	0	15908	4227	11874	31702	0	5919	4887	0	0	0	2173	3450	0	13310	15282	6039	7788	6060	0	6507	5852	5680	13651	2456	7097	11945	0	3419	3354	4969	1272	3520	38770	5328	2083	6356	3639	5121	18679	24018	17865	0	8749	11979	6927	12030	4440	6562	3016	7657	8477	22137	5987	4119	31824	5815	3630	7238	2998	2297	0	7313	7664	6531	9344	11197	17630	9582	6957	1338	9472	12753	0	14400	2760	Phytochemical	0.074074075	1.2592592	0.0
22	C27 H34 O2	391.26315	391.26352	-0.14801528	391.2631	5163	2251	1634	3768	2059	0	3521	1991	1451	0	1579	3506	0	0	3746	5329	17460	0	0	2359	0	0	2475	1918	2165	0	5022	0	2771	5165	5034	4601	2545	1386	0	4233	0	2723	21896	0	0	1169	0	0	0	0	0	0	3504	4719	2831	2856	3004	0	1845	1198	3273	2920	1272	3828	1563	0	0	1376	1447	0	1290	22002	1884	0	0	0	1073	3045	10536	3525	0	1373	5609	1784	3519	0	2323	0	1303	4045	14158	1599	1304	13003	0	0	2066	0	0	0	2538	4691	2621	3516	3103	4799	3557	1176	0	1695	2247	0	3529	0	Phytochemical	0.074074075	1.2592592	0.0
26	C27 H34 O2	391.26315	391.2635	-0.23164496	391.26306	9664	10413	10076	10329	12533	3529	10801	13026	7643	0	9243	12897	0	6549	9660	21161	22696	7293	9192	0	0	4580	6291	10770	15501	13715	14004	9292	14968	32501	17373	15409	13549	9764	2708	27576	11629	10726	29380	3548	8345	9913	0	0	0	0	0	0	13490	24146	10422	9683	10502	0	9790	0	8832	19219	3890	9474	12261	2789	3570	6845	5453	4634	11143	40792	10957	5909	8294	6929	10899	25006	22656	20021	0	10714	17496	8057	8650	6043	10892	3689	14647	10274	27080	8678	7834	24624	6984	6346	14405	3787	0	0	8733	11589	8142	17279	18099	21678	10763	7900	0	10400	15177	0	15513	2408	Phytochemical	0.074074075	1.2592592	0.0
26	C24 H38 O4	391.28427	391.28467	-0.20951869	391.2842	75988	60388	61357	71693	47859	31468	500294	43158	37759	29321	70263	28745	30891	104872	46530	67785	219910	30865	67254	37333	35687	49231	34694	27352	70504	104569	511713	110608	58330	64280	37248	58807	63451	43007	39969	69849	56716	52173	237922	40983	72854	49190	6783	0	0	36232	34451	0	57679	38928	70792	66882	58607	0	53408	49113	50034	68380	59036	61869	86041	47450	63882	34644	95198	75183	117591	335001	55546	46975	65896	24861	36503	61489	60852	56179	0	27244	54509	100690	28949	75994	115593	108685	60218	65758	136703	37407	59553	165824	110929	101662	60708	56117	40101	0	67736	78507	40306	59980	70933	108173	28814	83967	87707	40629	46077	0	73790	24848	Lipid	0.16666667	1.5833334	0.0
28	C24 H38 O4	391.28427	391.28467	-0.20971762	391.2842	21064	18419	20047	20492	16027	8783	129965	20315	14739	12292	28626	11325	15324	26122	17904	23050	39243	11861	22788	16513	12234	14775	13670	13757	32385	38038	92035	48120	25913	22547	13313	20951	21587	14020	17067	26462	19256	19273	36699	15533	16458	16115	5033	3449	6730	12725	12240	3680	17284	19496	20260	20215	20614	9411	25819	22422	17303	21889	30275	15992	26263	20831	16283	12597	24974	24379	39342	50507	25073	12797	16748	9314	12235	23523	16392	16894	7590	12840	22024	40197	11065	21666	28592	26030	30400	23714	51591	12667	17220	38734	35124	34467	19762	22191	14378	3858	19973	24444	16471	22172	43904	31763	11237	31198	41444	18463	22790	3622	24852	8904	Lipid	0.16666667	1.5833334	0.0
22	C24 H38 O4	391.28427	391.28464	-0.25586677	391.28418	8749	10127	7951	9739	3229	5506	59515	6920	2942	0	4980	5481	0	9047	6130	14649	38914	4431	6304	3259	0	1708	2937	3895	11194	8828	55776	8902	8901	13953	7789	9475	6308	7734	2916	9843	6056	7380	38882	0	5746	9185	0	0	0	1597	3854	0	11774	7711	9371	9266	10071	251	2993	4361	6151	14719	1587	5289	11375	0	5470	3065	15554	7695	15730	41573	1577	2553	3959	3284	4607	10876	27141	9009	0	3216	10782	6857	7320	5702	30927	29721	5052	11710	30387	6068	10364	55592	5050	7861	8898	1765	0	0	8936	9384	4184	4445	3289	11106	5504	4536	4033	7369	4572	0	18017	0	Lipid	0.16666667	1.5833334	0.0
28	C25 H42 O3	391.32068	391.32104	-0.16726355	391.32062	6303	5631	5999	6346	1559	1893	55891	14916	1549	2930	16686	5008	0	8715	6994	11886	11095	3322	2288	4324	0	2053	5960	3176	11582	11448	41656	16944	15460	30412	7713	18215	5642	13520	1184	22074	4504	10118	10433	3617	2679	8239	2772	2885	6068	3378	2743	4012	15045	21031	5523	5545	6344	5970	1755	3775	7334	11089	5858	6127	14005	5347	4582	2474	14827	3461	9811	13925	14611	3281	2881	4788	5608	12313	11695	11152	4136	4560	6936	18070	3503	9808	7338	9139	5375	7857	33768	2622	5978	20350	9526	6902	4859	8566	2887	2563	6447	8835	4289	1234	3685	8645	5833	9415	9326	4901	1983	2801	9802	986	Lipid	0.12	1.68	0.0
26	C25 H42 O3	391.32068	391.32095	-0.25643966	391.32056	13675	12191	12898	9889	0	2312	134219	40557	0	1554	16813	9268	0	25857	11234	28708	49132	0	0	0	0	2449	0	0	15147	13851	131385	22072	44139	100515	21753	42014	10445	22917	1791	54475	12283	17064	46764	0	9504	11597	0	0	0	0	0	0	58883	51792	15924	14389	10248	0	0	0	8555	23930	3224	11815	37753	4365	3008	0	32029	2461	10711	57996	11484	1747	4257	9017	13172	18849	52348	36787	0	4835	16266	22593	5483	13400	13885	14280	0	0	69835	2832	16564	94001	15994	9603	8941	6290	0	0	15702	14977	6944	1882	0	25455	5070	16927	0	6531	0	0	18094	2589	Lipid	0.12	1.68	0.0
24	C25 H42 O3	391.32068	391.32086	-0.22334148	391.3206	5299	4603	4893	4792	0	0	25162	14322	0	0	1633	3964	0	4085	3269	16374	36691	0	0	1719	0	0	0	1330	5196	0	19375	5884	18397	39649	9507	23805	6645	8407	1578	23509	5863	4975	43207	0	0	2655	0	0	0	0	0	0	28153	22099	6529	5194	4360	0	0	0	1425	10882	0	1824	9782	0	0	0	7806	0	3078	47767	0	0	1491	1165	3655	12339	43363	19420	0	1546	4787	2246	1527	1837	1463	2811	0	0	29420	0	8008	49198	2845	0	2762	0	0	0	4061	4536	0	0	0	16733	2669	0	1501	1405	0	0	5884	0	Lipid	0.12	1.68	0.0
12	C17 H13 O10 N1	392.06122	392.06186	0.021762228	392.06122	3721	3835	6423	6141	11494	3045	0	0	18193	6771	5193	1614	24424	2410	925	1623	0	14736	12824	3578	11764	22040	2727	0	0	0	0	0	0	0	0	0	0	0	20159	0	2806	0	0	2641	10252	4474	263	0	0	3176	3953	0	0	1044	5306	3933	4846	0	17550	14460	4899	0	0	0	0	6732	34397	19225	3950	16918	4075	0	0	1105	3522	0	0	0	0	0	0	1165	4920	0	2012	2491	0	0	13018	3864	2413	4958	3918	4628	0	0	0	24079	8871	0	5917	4013	8812	20373	12770	1650	1961	0	0	2119	9223	0	0	31337	Phytochemical	0.5882353	0.7647059	0.05882353
16	C17 H13 O10 N1	392.06122	392.06174	-0.087073505	392.0612	7179	10176	5777	11179	17389	9383	2915	1727	21901	10409	5480	3077	41825	4948	4274	2253	1882	22942	18170	6122	14291	29895	7452	2372	0	0	1013	0	0	0	0	0	3877	0	22762	2277	0	2767	1541	5185	22668	4898	511	0	0	2617	10022	392	0	1523	7670	7706	10575	0	14818	13793	7310	0	2632	3244	0	7486	36608	19642	5147	23928	6562	0	0	0	3596	0	1229	0	0	0	0	1995	5618	18660	4708	3290	0	3255	19873	6396	6982	8005	8748	0	0	3571	0	35129	16861	0	11343	7609	14289	20009	17410	3431	4799	0	4864	0	9546	0	1393	32652	Phytochemical	0.5882353	0.7647059	0.05882353
20	C17 H13 O10 N1	392.06122	392.06174	-0.05574809	392.0612	3970	3967	5458	4185	8992	7583	1337	0	11037	2576	2652	1801	18929	4169	2244	0	2691	12489	13408	2270	5066	17893	4239	2325	0	0	0	0	0	0	0	0	0	0	6499	0	0	3914	0	3278	9483	3876	0	0	294	1716	3985	1128	0	0	4749	4579	7968	0	15272	9974	3209	0	0	1259	1507	0	21923	11644	5212	14881	3096	0	0	0	0	0	0	0	1734	0	307	1288	6195	9553	0	1377	0	0	15574	3839	6133	4396	5342	2526	0	2803	2257	22547	14820	0	3334	4555	4618	11784	7478	0	1400	0	1841	6032	7644	0	0	23356	Phytochemical	0.5882353	0.7647059	0.05882353
28	C17 H13 O10 N1	392.06122	392.0616	-0.13558388	392.06116	4021	4133	2926	3353	7548	5159	0	0	8016	5599	2314	858	15799	3528	0	0	0	15463	8221	2288	6494	8808	3199	2034	0	0	0	0	0	0	0	0	1784	0	5609	0	1203	1937	0	1768	4276	2137	0	0	0	0	2873	0	0	0	5573	3347	2995	0	9973	3947	1823	1659	0	1603	1939	2021	20027	7204	1709	7320	3838	916	0	930	0	0	0	0	0	922	0	1475	4549	5283	3630	0	0	0	7556	2318	3762	3046	3889	2051	0	2279	2795	9301	12044	0	5241	4264	2143	3297	4878	0	997	0	0	1400	4524	0	902	25012	Phytochemical	0.5882353	0.7647059	0.05882353
18	C17 H13 O10 N1	392.06122	392.0617	-0.05566086	392.0612	5239	7907	4471	4757	12263	5399	0	0	16812	4871	7301	2694	32408	5663	2022	2248	1699	15366	13679	3037	10720	28134	6867	1513	0	0	1939	1489	0	0	0	0	0	0	12968	0	1964	1883	2460	3688	14777	5246	446	0	0	2317	9737	690	0	0	6376	4217	5324	0	17587	13052	8757	3949	0	1796	0	4938	28228	20125	6713	22089	10633	2068	2216	0	4326	0	0	0	0	0	0	2276	5070	17527	4138	2328	0	0	18191	8893	4010	7655	8029	6092	0	3335	7936	32307	18273	0	7972	0	11599	18528	16895	1850	1723	0	1808	2386	10963	0	1910	32887	Phytochemical	0.5882353	0.7647059	0.05882353
14	C17 H13 O10 N1	392.06122	392.06174	-0.08300818	392.0612	6907	6603	8228	7594	15544	9291	1999	0	23307	13931	10985	3293	31303	6440	1403	0	1923	12861	18240	6774	16841	39509	4080	0	0	0	1129	0	0	0	1098	0	0	0	20593	0	2527	3010	2551	4923	23939	5049	0	0	0	3202	10390	0	0	0	11126	8718	9615	0	23008	17096	6631	1505	0	0	0	9754	47075	29067	6141	21309	5373	2996	0	0	0	0	0	0	1259	1170	0	1769	7052	31073	5529	6270	0	1847	20709	5291	7475	9576	7154	6375	0	4319	5248	43153	15399	0	4052	6272	11318	27764	20159	1994	0	2418	0	3625	11149	0	0	36960	Phytochemical	0.5882353	0.7647059	0.05882353
10	C12 H17 O8 N5 S1	392.08707	392.0876	-0.4307743	392.08688	0	0	1623	0	2327	22358	0	0	0	0	0	0	0	11599	0	0	1161	6628	5434	0	1250	0	0	0	1450	0	0	0	0	0	0	0	7401	0	0	0	5170	0	1656	0	0	936	0	0	0	0	0	0	0	0	2498	0	3205	0	1140	0	725	6909	0	0	0	0	1139	1155	0	2354	2098	8761	0	2136	0	0	0	0	1491	0	0	0	0	0	0	0	0	0	1601	0	0	0	0	0	0	0	0	0	0	0	1156	0	1881	0	0	3289	0	0	0	0	0	0	0	3726	Peptide	0.6666667	1.4166666	0.41666666
24	C18 H17 O9 N1	392.0976	392.09805	-0.089164324	392.09756	3799	4686	5090	4266	7832	5406	0	2549	6479	16687	6218	2320	12634	2473	3132	2839	2297	9163	8305	5268	6949	17374	5540	2827	1343	1623	0	1386	1627	0	0	0	2873	1129	11203	0	2822	1776	2089	5725	6679	2813	0	0	0	5749	10945	0	1087	1376	4661	7881	5319	0	8757	5943	3560	2838	2197	1575	1843	6857	14060	9823	1306	7916	3287	1947	2203	2116	3761	0	0	0	1198	0	0	0	4198	9500	2886	4574	1279	2042	9735	4199	3603	4093	4056	0	1381	2463	4636	15308	25691	0	3967	5318	6242	7093	8402	2166	1091	1609	3659	1834	4162	0	2101	12810	Phytochemical	0.5	0.9444444	0.055555556
8	C18 H17 O9 N1	392.0976	392.0982	-0.04959397	392.0976	29038	32540	21674	28589	31423	14730	8842	15428	43968	71186	60200	12950	58929	13491	11790	16251	14444	29926	39400	48580	78933	58288	15823	14712	3152	12350	8598	19610	10755	10707	11762	10907	20667	8934	95804	8862	17381	12091	20402	47595	84096	14467	0	0	0	26692	57400	0	12229	14923	32008	33656	21834	0	42667	36274	14970	17989	14446	21042	14703	43294	76589	49880	16155	44745	18094	19877	48800	35323	67790	11091	11369	7891	8306	12634	0	9276	17735	27160	15112	20307	7870	13736	40450	12949	15434	20350	18493	31017	11448	16388	25019	59065	57248	0	27556	30490	31960	42034	34357	12220	10101	16999	27762	13324	27692	0	10802	60626	Phytochemical	0.5	0.9444444	0.055555556
6	C18 H17 O9 N1	392.0976	392.09827	-0.03350226	392.0976	11724	11010	10716	11588	12345	5336	2265	4440	18668	23798	23230	5739	23408	4548	3169	6686	5391	15391	17400	14390	31693	19889	7691	5095	1057	3789	2406	5858	1785	3908	4261	3350	6538	4536	35525	3735	6031	4586	5639	15232	27491	6352	0	0	0	8551	19266	0	5208	2693	11765	10916	9348	0	20730	15643	6764	4830	5167	8256	7497	12299	34194	16048	5450	17368	9407	5714	11909	7918	20289	3830	4937	3291	0	2581	0	3579	6564	6118	5454	6570	1989	2931	17769	7396	5690	9108	8595	12365	0	5798	10282	19952	18515	0	11610	10824	12766	20781	16271	8052	5400	5033	7943	7076	11656	0	2324	39017	Phytochemical	0.5	0.9444444	0.055555556
20	C18 H17 O9 N1	392.0976	392.09802	-0.1129517	392.09756	25479	27604	24576	21626	23967	23241	8902	9421	35126	54083	29117	7709	57015	17925	9424	12623	6255	36026	37025	35882	41082	65359	14291	13644	8227	15178	5546	15924	6139	4524	9496	7053	13336	9014	75705	5165	14310	10113	9027	37829	44571	9185	2695	749	740	28964	42382	1526	7771	6441	22241	22294	25066	605	37574	28082	13831	15190	15066	9276	7194	36558	50539	35113	15556	25467	17119	4342	22807	18466	25821	7445	5963	3847	5740	3957	569	10002	18360	41697	13519	27147	7226	21765	30887	24021	18141	13145	16829	16853	17538	23798	23271	64571	64443	0	23479	24141	19187	35181	25448	14031	6113	10055	31244	10524	26170	944	13626	62339	Phytochemical	0.5	0.9444444	0.055555556
10	C18 H17 O9 N1	392.0976	392.09814	-0.07190719	392.09756	61026	57095	50643	51878	56086	28905	18685	29492	73789	156735	98276	21143	105706	26365	26349	33214	30643	72461	71742	88909	143495	127399	32253	34087	12555	34607	17417	35946	18134	20793	21251	25870	37965	21191	188100	19383	35762	21748	40675	99174	168245	27318	1437	0	0	61611	106382	0	26752	24844	54963	66756	37175	0	78900	63679	29061	30643	28172	39922	26207	79292	113395	81442	27797	72577	35872	40336	91575	74548	134273	26482	21467	14525	22704	21754	0	20117	42071	77116	35450	54175	17725	37295	66297	28383	37089	35487	30047	50503	26850	42718	50671	124076	115762	0	66668	54608	53393	64989	62782	34833	23988	25601	69595	34872	44400	0	14901	103796	Phytochemical	0.5	0.9444444	0.055555556
22	C18 H17 O9 N1	392.0976	392.09805	-0.0771175	392.09756	7754	7549	7966	15088	13872	9099	2184	3589	16411	21350	11105	4843	18218	0	5124	3307	2933	19799	15401	10254	17512	27663	4888	5143	2684	4721	2645	3502	2788	1927	3137	0	3171	3394	20668	2752	5581	4116	2769	15153	14245	1952	0	0	566	14678	23485	0	3753	1426	10160	9320	7041	533	21389	12949	7235	5255	4601	3470	3927	15459	25758	21480	3708	15700	6839	3434	7329	5225	4305	1244	1002	1395	1229	1560	884	2852	8821	18591	7213	11715	4319	10153	17230	8969	7897	6637	6979	4659	6013	7624	7802	30272	42473	0	9072	9490	7300	13240	17048	5897	3272	3666	12000	3925	11307	0	3569	25951	Phytochemical	0.5	0.9444444	0.055555556
18	C18 H17 O9 N1	392.0976	392.09805	-0.10231752	392.09756	53951	48112	46213	36833	61563	38431	15968	21288	59216	143382	68405	17929	124605	28729	25905	27399	15109	86747	80188	78500	98756	131899	32577	26459	19560	32210	15885	32166	15451	10848	18558	12606	34246	13889	186043	10965	41493	23639	17749	94981	86956	28637	2600	329	701	74684	87016	942	21114	11234	49441	49722	37887	512	95731	52168	31014	31168	22005	18201	28778	88647	115606	64609	25718	66202	32370	14915	52732	53237	66288	14005	11770	9792	11874	12154	709	18493	40997	93094	32677	58827	16703	45970	70721	35936	46122	31275	31427	31884	40605	54588	49756	101093	148538	924	58621	46879	47242	58043	56782	28527	14003	30432	50533	30012	43850	673	20132	108994	Phytochemical	0.5	0.9444444	0.055555556
26	C18 H17 O9 N1	392.0976	392.098	-0.16220587	392.09753	2611	3236	4974	3255	4113	5745	0	0	7150	12650	2682	3046	10894	2442	0	0	0	9091	6798	0	8292	13135	5215	0	0	0	0	0	0	0	0	0	2309	0	13989	0	2774	0	2291	4899	6099	0	0	0	0	6340	7289	0	2513	0	3665	3903	5631	0	7064	6748	3019	0	0	0	0	4665	15092	8657	0	7024	0	0	0	2612	3245	0	0	0	0	0	0	0	3365	8536	3074	3329	0	2562	6318	0	4026	2986	3341	0	2512	3664	0	13277	23924	0	4550	7897	0	4470	4896	0	0	0	0	2401	0	0	0	21510	Phytochemical	0.5	0.9444444	0.055555556
12	C17 H17 O8 N3	392.10886	392.10938	-0.025196234	392.10883	13104	14626	19370	8724	16079	11688	8540	9180	18742	15425	11200	11708	19435	6512	10594	7016	16579	22732	19701	15569	23633	31468	13558	16530	7670	0	5665	0	7364	6328	10092	9954	15442	7693	27067	8934	15233	10942	23223	23256	36285	10279	0	0	0	16549	22483	0	10125	7604	17035	20462	11583	0	19661	11048	0	14100	12599	19496	0	19014	30280	18677	0	0	14243	24304	0	8030	11527	5916	5289	6879	8646	5558	0	10379	15184	0	12856	16413	7888	8267	19605	10704	17927	12083	12132	33864	7814	15952	29380	22953	17056	0	12431	15881	10149	15312	13075	13592	7795	8179	0	15574	10287	0	10944	32560	Peptide	0.47058824	1.0	0.1764706
8	C17 H17 O8 N3	392.10886	392.10944	-0.07202352	392.10883	23202	24059	13808	22331	16329	10176	6776	16104	0	25333	16599	14635	31201	6676	12525	16270	17486	23159	27234	23229	26715	38821	20063	20727	7108	1904	9246	4708	14651	7632	10365	12109	18152	9541	36175	6849	18250	13764	21027	26890	36998	12063	0	0	0	15327	29118	0	16888	11518	20494	22469	14740	0	30281	16589	0	16582	12698	18855	19273	22533	0	24101	13669	24363	16294	20275	13665	7333	17854	12912	10593	7619	12832	11332	0	9274	17009	9305	13417	12946	8522	6892	21790	10169	19019	15451	14012	35401	0	22280	34965	24434	21577	0	24978	18973	16085	24232	21131	19503	11771	20867	17533	21452	13148	0	11276	0	Peptide	0.47058824	1.0	0.1764706
6	C17 H17 O8 N3	392.10886	392.10947	-0.09253619	392.1088	10784	11272	11549	12363	12006	6117	4196	10523	18466	16681	12737	9211	0	5133	8101	14414	13869	14968	18315	12692	22609	24354	14151	13073	3158	1828	5718	3299	9146	4975	6195	9701	10900	6426	22005	6622	12668	6938	13927	12664	23870	9698	0	0	0	11582	20868	0	9943	8733	14705	12911	9147	0	20820	11493	8992	9812	8270	11823	14204	11102	35962	21139	8371	17345	10894	16925	6732	6411	12490	8453	7655	4426	6684	6944	0	6760	9586	7039	7808	9012	4649	4560	18024	9067	10477	12745	8800	24470	0	11070	25514	15033	15329	0	11319	12699	9202	15882	17138	11191	8170	13522	7461	14020	11397	0	5259	31539	Peptide	0.47058824	1.0	0.1764706
10	C17 H17 O8 N3	392.10886	392.10934	-0.07473897	392.10883	22694	17787	24631	15335	0	11101	11990	13953	23570	25748	18919	14789	28935	7638	15516	16195	17666	22775	25548	21253	30153	39942	18887	23149	9581	3800	10371	8264	12763	10433	12451	10605	20344	12894	26015	10232	20938	13679	21676	24023	42905	15291	0	0	0	21742	30803	0	11971	10511	22229	18942	0	0	28612	14595	9361	18798	18291	15466	18187	23035	36766	22878	10698	0	15880	20983	13025	9428	16975	15886	9215	6448	10379	9021	0	10189	16515	20296	15976	17719	6604	7467	20707	11378	17354	15374	0	39729	8842	21210	39278	25079	23533	0	17563	18802	12638	34872	16661	18678	12216	15983	0	22177	12180	0	10795	39133	Peptide	0.47058824	1.0	0.1764706
22	C22 H17 O6 N1	392.11285	392.1133	-0.03213337	392.11285	1684	0	1331	2118	0	1145	0	0	0	4985	8684	1037	0	0	0	2330	1422	0	0	0	3418	3941	0	0	0	17611	0	3511	0	0	0	0	0	0	5599	0	0	1091	2412	2995	13073	2785	0	0	0	3163	11181	0	0	0	2593	1740	1386	0	0	0	0	0	0	1322	0	2762	1593	1627	0	0	0	1747	14804	8389	21776	0	0	0	0	1095	0	981	0	5282	0	6289	1212	4302	0	0	0	0	0	2799	0	0	0	4965	7034	0	2544	1682	1340	1576	1698	0	0	0	2820	0	0	0	1144	0	Phytochemical	0.27272728	0.77272725	0.045454547
20	C22 H17 O6 N1	392.11285	392.1134	-0.047045726	392.11285	2244	4180	1678	0	0	1407	0	0	0	6689	9501	0	0	0	0	0	2253	0	3447	3496	7692	2006	0	0	1426	24537	0	11142	0	0	0	0	0	0	6335	0	0	0	0	5077	11653	0	0	0	0	3846	9397	0	0	0	2552	3291	0	0	0	0	0	2302	0	2776	1644	2920	0	0	0	1628	0	0	34466	12876	36641	0	1447	0	0	0	0	1104	2337	7607	0	5570	1546	0	1385	0	1710	2729	0	0	2564	0	2995	11008	4926	0	1638	1673	1398	2278	0	0	0	0	3456	1757	1821	0	0	0	Phytochemical	0.27272728	0.77272725	0.045454547
18	C22 H17 O6 N1	392.11285	392.11328	-0.07626572	392.11282	2784	3575	1579	0	0	0	0	0	1705	6449	11147	1026	0	1422	0	0	0	0	0	4895	5859	2551	0	2344	0	31867	0	7278	0	0	0	0	0	0	5566	0	0	0	1509	3555	8850	0	328	0	0	4329	4986	0	0	0	2802	0	0	0	0	1171	0	0	0	1996	0	3890	2100	0	1266	0	0	0	21670	19958	40079	0	0	0	0	0	0	0	1454	3001	0	2029	0	4087	0	1674	0	1291	0	3857	2838	0	0	8005	2667	0	0	1950	2528	0	0	0	0	0	0	0	1285	0	0	0	Phytochemical	0.27272728	0.77272725	0.045454547
8	C15 H21 O11 N1	392.11874	392.1193	-0.15301685	392.11868	12108	16017	11210	16389	29754	14247	5610	11847	43541	0	14306	12550	90407	10855	10952	13766	18937	53033	53719	13846	22217	13353	19125	10047	1845	0	4686	3583	11306	9700	5199	9569	12065	7371	11670	6786	13203	9251	12891	0	7391	26341	0	0	0	5072	11844	0	5937	8906	15555	14165	19953	0	66789	65975	19065	6578	5315	10338	11716	7429	72674	56522	20303	44999	16195	13498	0	0	0	7528	5579	8317	13436	6386	0	7314	10441	8575	8099	0	2157	0	47916	14754	11219	19494	20380	11668	0	0	15540	15996	15144	0	13737	27079	34468	53217	74459	20861	7460	8692	0	7575	46909	0	2387	67229	Unclassified	0.73333335	1.4	0.06666667
12	C15 H21 O11 N1	392.11874	392.1193	-0.08547546	392.1187	19469	22055	19927	19323	58343	44109	6008	19131	108062	0	30575	20525	173122	22569	26233	8257	30680	118105	121791	27032	56508	32409	36652	8758	6131	0	4539	0	18824	11151	12070	12795	31291	8256	28451	12496	18635	19161	16142	13173	33733	49147	1047	0	248	9441	28274	0	5493	18620	21788	20240	49844	0	205895	111649	34063	9010	17853	23196	24504	23690	159115	141591	29880	81335	39385	22704	0	0	9548	9859	11146	12416	15738	7547	202	17734	16669	23797	18433	11515	4996	0	87324	29608	17053	29796	38092	17489	5543	15715	20367	43871	12156	0	22026	43054	75953	65385	68488	36034	18438	17103	0	13369	71758	0	5249	176672	Unclassified	0.73333335	1.4	0.06666667
16	C15 H21 O11 N1	392.11874	392.1193	-0.078664385	392.1187	11753	9861	13313	15777	27399	22330	0	8419	40671	5383	16668	13439	58711	12196	12080	7521	12274	48122	31279	10245	34448	9531	16305	7677	1398	0	0	0	7042	6505	9603	0	10748	0	10058	7881	9173	9148	8702	5979	14238	21126	1027	0	0	4006	17641	441	6803	8163	11437	10839	20309	0	64166	37522	14146	4785	6864	10841	0	12946	51429	52940	12933	29533	16556	10675	15494	0	7244	7348	4872	6862	13171	4389	0	12876	3882	10009	8058	5442	0	0	36203	9421	5362	14863	16201	0	0	2469	0	14339	0	0	11511	15809	28942	19321	25355	11323	12330	3889	10350	0	25457	0	3811	61319	Unclassified	0.73333335	1.4	0.06666667
18	C15 H21 O11 N1	392.11874	392.11923	-0.1500966	392.11868	3979	3868	4761	5744	9131	9976	0	4403	9462	0	4298	6280	21164	2583	0	4234	4645	13505	9550	0	7829	6468	7237	3434	0	0	1902	0	6458	3113	3418	0	7216	0	4263	0	6418	3398	3293	1854	5013	10787	0	0	0	4781	10538	383	0	4773	7755	4497	7545	0	20929	15968	4561	1760	2531	3262	3955	8831	16014	18095	6370	10993	8585	3707	7919	0	5262	2785	3784	3970	6335	0	0	5101	1618	4389	3304	2969	1784	0	16628	5107	2521	7191	4702	2478	0	2056	5567	4225	3722	0	6157	6540	10864	5793	5953	6617	5702	2916	5182	4391	10816	0	0	20916	Unclassified	0.73333335	1.4	0.06666667
10	C19 H21 O8 N1	392.134	392.13455	-0.052663725	392.13397	202140	177920	168492	167010	108617	89756	78954	144873	136819	546145	258008	92299	173421	63369	90078	140295	99714	164816	174899	408162	496227	330004	108153	160471	68877	231362	83263	184444	111611	112331	111624	130355	162102	112296	635399	110803	152097	86779	126793	394082	817156	86731	2942	0	450	236472	305976	0	132974	124282	184946	177234	94943	528	190584	102391	65139	151174	144142	131484	164379	255553	186802	152111	62252	142835	98655	131480	324499	409005	461388	126839	120573	98596	88730	111602	0	88948	122385	152060	98731	172280	100904	178792	115100	71113	104924	88281	86701	319210	116909	173985	190427	222900	301034	872	182428	178006	103764	97440	91002	136745	81283	183615	198588	117873	87705	0	88285	195614	Phytochemical	0.42105263	1.1052631	0.05263158
20	C19 H21 O8 N1	392.134	392.1344	-0.14110987	392.13394	81490	80080	67879	65523	68945	61479	33721	52883	68822	205639	100604	34511	117705	50701	42661	53570	31585	100308	87794	144583	181954	127928	50441	69988	38688	134297	27852	82403	44536	29924	36489	36967	53911	45182	225221	39893	60778	34414	34147	138878	127959	48067	4882	1358	1004	101239	117867	1891	45018	41418	72737	80293	63938	1582	89360	66928	33932	48291	43428	33824	55233	107314	98244	66168	37883	71933	50722	31489	130023	167057	161764	48009	38450	32426	29465	29447	1455	31060	55482	86358	45782	74707	38814	89233	74682	46596	44122	47916	51475	42491	59871	76623	91837	103958	135550	1465	74649	85513	52467	53457	63136	57968	31783	58251	84524	45213	67609	1669	38226	119847	Phytochemical	0.42105263	1.1052631	0.05263158
4	C19 H21 O8 N1	392.134	392.13467	-0.12080412	392.13394	15047	17605	15600	13879	13321	11642	4883	9201	18903	38202	32854	8194	28486	7945	10103	10729	12476	19296	18809	25111	45458	30545	10967	12927	4572	13923	4304	13027	7034	6194	8068	7599	11765	6165	51734	8004	12069	8351	15919	21903	37848	10956	0	0	0	19143	42147	0	9279	9688	14638	12426	13141	300	23394	17894	7856	9750	8147	12836	11021	16995	27251	19603	7618	15778	7350	12560	28131	20594	35400	6760	6615	7261	3545	7871	0	6513	10125	16248	9547	14851	6615	9020	20251	9212	11937	9018	8424	19222	6059	11438	17290	27038	29133	0	13807	21811	17861	21436	20114	10640	7868	12739	16503	9882	14494	0	5567	26320	Phytochemical	0.42105263	1.1052631	0.05263158
10	C18 H21 O7 N3	392.14523	392.14575	-0.1476143	392.14517	91088	84542	0	0	36942	41060	0	0	36467	0	0	0	34950	19902	0	105492	76523	56683	0	95699	0	138856	0	0	0	19212	0	41933	79582	0	0	0	115697	0	0	0	115054	0	0	0	117092	41923	626	0	0	98718	89986	0	0	93012	0	0	42826	0	50476	0	29475	104395	0	0	99646	0	0	0	32416	51499	51685	0	43719	59210	0	0	0	0	0	0	0	0	0	54148	0	0	0	49098	0	33740	76345	51802	0	0	86234	0	175529	70947	0	0	0	0	31470	24477	24620	0	64033	107622	71889	103948	28714	0	0	0	Peptide	0.3888889	1.1666666	0.16666667
4	C18 H21 O7 N3	392.14523	392.14587	-0.13492545	392.14517	23335	25971	23139	21917	12540	10669	12082	25677	16011	21262	17144	17946	20473	5497	19264	25350	35643	19141	21009	21531	32809	40327	24063	31471	12205	6164	14106	12715	17546	19180	19019	22782	28802	17517	31516	20204	24577	17319	45032	27214	41264	12108	0	0	0	27448	42039	0	24503	22469	21247	20176	14688	0	19646	15379	9212	24619	18668	28043	26976	19001	21414	16637	13379	19089	14496	39966	11884	10544	18667	19190	16114	18987	9883	18827	0	14565	21806	16221	17951	16717	14200	10884	16488	13025	21249	17020	17270	44200	21724	27075	50241	23248	22701	0	23746	26023	12820	17130	15524	23429	16565	30819	20794	26045	12011	0	16056	19917	Peptide	0.3888889	1.1666666	0.16666667
12	C18 H21 O7 N3	392.14523	392.14587	-0.15430766	392.14517	58778	55278	58054	54302	0	27213	0	86309	29767	46360	34946	39139	28359	12650	0	57271	72234	39113	56264	65143	63897	0	62048	0	0	15319	36187	21705	57754	0	0	0	0	57447	62561	0	0	0	0	0	78743	0	0	0	0	68692	65179	0	0	52869	0	50898	36585	0	40018	15359	24190	70992	65389	52939	72985	48803	32206	31882	21183	0	33509	95989	37114	35628	34988	0	48450	48236	0	46693	0	41930	54852	40685	53850	41696	0	33342	17734	0	66131	39134	39195	140901	62301	0	121505	47164	0	0	64562	56657	21170	0	16124	0	41759	58627	39832	0	21760	0	52794	48260	Peptide	0.3888889	1.1666666	0.16666667
2	C18 H21 O7 N3	392.14523	392.14594	-0.13227168	392.14517	12851	12119	7622	8507	9277	0	7746	10293	9752	7698	9324	11215	13029	5989	10020	2621	16017	11875	12218	8341	17356	13660	13016	9907	3151	1980	0	4649	10764	5802	10643	7638	15631	7735	15837	6905	9686	9082	15620	8769	17835	8496	0	0	0	6186	11384	0	10322	6468	9506	10229	8639	0	13918	6666	6598	13008	6171	10889	3578	7347	15477	10380	7341	13144	10108	21122	3996	5766	8630	8257	10090	6203	1642	7455	0	7435	12224	5436	9396	6436	5753	3351	7968	6933	12976	12487	8937	29602	7702	10321	22655	10542	2252	0	10009	8931	6840	9185	8971	7657	9345	7898	7084	12372	7061	0	8934	14720	Peptide	0.3888889	1.1666666	0.16666667
14	C18 H21 O7 N3	392.14523	392.14572	-0.20237158	392.14514	678151	616087	613691	650550	572090	550966	509431	602331	1028134	910136	725887	362624	1043526	330958	581541	608878	506435	1074745	1008932	1051722	1167053	624540	574260	683965	457154	720192	265031	519085	631022	561674	472611	553600	795672	461335	1292192	594612	655233	500488	515199	692893	682005	515301	0	2906	2245	648057	575438	2617	499813	563271	490705	543016	519377	3690	1904797	739479	322626	395231	677776	389574	583517	641170	1043981	1047842	325056	685373	532349	452297	623561	906978	863604	503709	473608	501725	445210	490029	1458	480508	567500	458238	517891	449512	387341	483429	720041	453041	557265	384318	497191	530140	574778	489658	838305	513374	721478	2985	662965	691187	561089	557231	557889	720448	390504	695824	400557	518872	615520	3069	315407	981154	Peptide	0.3888889	1.1666666	0.16666667
0	C15 H25 O7 N3 S1	392.1486	392.14868	-0.53508645	392.14838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4103	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1418	0	0	0	0	0	0	0	0	1481	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21026	0	0	0	0	0	0	0	0	0	0	18263	5933	0	2310	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.46666667	1.6666666	0.2
22	C23 H21 O5 N1	392.14926	392.14972	-0.090770036	392.1492	3360	0	1310	1609	0	0	0	0	0	4069	10522	0	0	0	0	0	0	0	0	2830	5709	1716	0	0	0	22031	0	8405	1464	1048	1712	0	0	0	2576	0	0	0	0	4799	9295	0	0	0	0	2841	6767	0	1691	1542	2461	2590	0	0	0	0	0	0	0	1687	1349	1816	0	0	0	0	2558	0	23196	11511	25373	0	0	0	0	0	0	0	0	3577	0	4035	1969	5898	1979	0	1516	1537	0	0	0	0	1676	2454	2348	0	0	2299	0	0	2210	1436	0	0	2557	0	1065	0	0	0	Phytochemical	0.2173913	0.9130435	0.04347826
12	C16 H25 O10 N1	392.15512	392.1556	-0.21707386	392.15503	67664	60966	87958	63138	91291	84557	73315	115124	174478	109355	77287	66511	209550	48456	102192	85652	99333	219991	212678	136291	158293	111316	121226	82382	59527	60499	30411	40874	104000	60288	89503	58061	110443	59906	180944	79839	75903	76952	70411	140743	96782	88615	1853	323	317	83865	69472	0	61381	71106	66296	74567	104014	407	359635	140902	72927	65088	88251	40877	63940	101234	206445	191464	55339	141183	83381	63782	48719	109415	67387	65446	74058	81670	56260	62400	0	80892	90102	64509	72731	57779	55467	49536	132736	94712	90155	53359	88490	119720	51436	122772	113251	80207	77871	897	71321	112448	108714	106067	127542	75268	70620	68862	58457	71941	133847	493	54346	231847	Unclassified	0.625	1.5625	0.0625
6	C16 H25 O10 N1	392.15512	392.1557	-0.19624297	392.15506	106083	113680	90610	105920	72005	78591	60375	120900	91000	142850	98045	82226	164726	41990	106015	108706	80285	168269	97391	90305	146715	114010	104935	122606	55735	54967	59520	52095	115398	108380	104350	106245	111583	78239	175071	113465	126108	81720	135810	90640	110705	86750	0	0	0	116315	141165	0	109665	109330	117770	104460	71155	0	150860	102205	58300	114060	79615	82835	127070	76775	134780	66580	60975	113337	82770	119005	55250	90075	114705	97162	99121	119558	64373	92635	0	72306	86420	127825	77351	55265	62020	45460	142350	78585	92935	65625	81165	171132	40140	98360	152395	153219	199955	0	113102	120535	70865	87085	91150	139685	68300	125925	0	98573	119115	0	54298	140385	Unclassified	0.625	1.5625	0.0625
14	C16 H25 O10 N1	392.15512	392.15558	-0.1929047	392.15506	103797	86905	86552	102431	113799	117658	82398	93309	257523	109015	101273	43091	325894	66442	116757	84798	78183	266668	228421	173156	198531	121776	124768	97772	66357	59656	39595	56461	111106	93649	63484	65766	141451	63857	214023	101921	117710	83849	63558	106613	89296	108355	0	728	577	95087	62624	447	62263	87681	78859	71145	122883	900	542714	187708	70872	57169	113598	46073	76988	116029	246552	269387	62120	165983	107213	52564	51335	72229	61622	69566	68134	84326	64707	70371	486	76652	78876	72332	74935	57854	42619	63428	157053	97525	81409	55826	82846	52009	92267	96382	106469	86146	140400	995	99019	121176	121449	113917	123295	122965	58362	105203	49644	66744	140487	665	49333	236679	Unclassified	0.625	1.5625	0.0625
8	C16 H25 O10 N1	392.15512	392.15564	-0.2608773	392.15503	39953	46104	32677	39591	31154	25164	23703	48408	47091	56846	35422	28522	65363	11380	38840	53240	41525	63957	59680	51936	61828	51795	45837	56118	17668	13637	25328	17300	38054	39139	34833	35565	43019	36607	63797	41265	41820	34437	40242	32930	49481	38782	0	0	0	39734	53749	0	46012	48401	36172	38766	31593	0	74085	34757	24258	37125	35393	27484	39241	36278	54305	56445	19642	39171	31755	37208	22267	30021	42508	41306	34368	38651	32029	38356	0	31373	38937	21599	33826	22976	22370	27934	39833	25659	37811	28264	30608	39163	17538	38290	55918	32629	45081	0	40517	48567	31644	43282	41424	52862	26172	50686	0	35836	39125	0	19893	59197	Unclassified	0.625	1.5625	0.0625
16	C16 H25 O10 N1	392.15512	392.15558	-0.15727292	392.15506	69656	94808	79678	68947	68518	80276	37342	67977	151957	111728	55625	47608	204924	34661	75125	57265	37649	179384	150048	93585	109212	92349	74865	94224	43128	29919	29277	33815	76430	60661	61493	68064	88676	47725	144662	74592	89939	64524	56972	66264	72896	70942	2450	543	663	51108	49585	431	57866	48526	83749	75273	85377	803	289464	95982	55760	51694	70562	39388	50932	78402	158468	157856	36906	113823	72417	38975	46657	46037	61788	59444	56054	57746	49258	54472	393	53839	53403	53977	47430	50435	59403	54791	96128	61756	49294	47187	64322	0	37646	109234	69681	56764	72952	819	77519	98310	68207	61973	70788	94896	40585	56211	36756	41570	76218	585	33646	182761	Unclassified	0.625	1.5625	0.0625
10	C24 H25 O2 N1 S1	392.16788	392.16885	0.0926849	392.1679	381432	387259	398323	321345	268095	272219	194545	437166	425260	415255	300760	280684	672590	155210	363617	459456	324230	650589	566484	488372	496615	550983	676304	476755	189591	282650	180588	182725	381307	332389	306925	308995	444163	308201	503240	347926	368098	286993	262210	396705	344025	314015	9455	0	0	211127	325723	0	338898	325369	376860	342850	276849	2480	832969	446085	168875	315592	370893	238945	288852	250125	441270	533255	197740	412425	236821	299442	274620	309465	220254	315045	296493	323793	232865	395365	0	277493	436041	239100	147549	231710	172586	179714	468400	279928	310190	222283	326892	338691	285455	331108	446177	263468	357903	0	382299	550927	254115	292040	435865	453028	272060	388625	113710	354718	382425	0	639978	599080	Organosulfur	0.083333336	1.0416666	0.041666668
10	C20 H25 O7 N1	392.17038	392.17087	-0.16121916	392.17032	337774	154440	150016	143071	70466	67432	85476	330572	91481	342048	154647	90038	111020	52092	97385	152607	110449	110695	132811	348360	372434	229494	102506	165561	84571	228571	87912	128568	130813	132805	113933	140320	170706	233396	403666	248324	150693	91066	134663	278594	464150	77229	1886	548	483	175852	165701	564	136825	130476	157804	150745	75686	978	115398	61000	44459	148469	92930	109290	161502	138441	98295	89544	48091	92957	72383	131344	195327	361918	318145	259148	121747	119168	106332	122677	0	83548	109869	100287	189390	112787	100880	131081	79574	52819	98019	64718	79969	155978	135991	160449	199203	134314	205185	629	150525	156217	54175	54611	56997	140038	88077	185503	84604	125464	57214	542	97927	118418	Phytochemical	0.35	1.25	0.05
8	C20 H25 O7 N1	392.17038	392.17096	-0.14749429	392.17032	120628	121598	95887	244148	54137	50233	111690	102084	72291	565172	118974	64646	99520	35938	138468	216968	142098	75016	107014	585320	288061	186975	150222	248298	117692	130308	59077	108192	82717	84235	83177	105003	219878	77673	739802	176752	113312	133310	93652	207760	345800	52519	1260	0	557	139842	131237	0	113146	184990	114415	239720	57491	274	94288	45170	37916	95706	53922	72720	115333	113429	92150	78184	34757	84181	61263	92414	153907	257457	236931	106628	177418	80848	66146	167470	410	62117	85717	87463	132396	68830	59438	215474	57146	36666	150426	52955	64811	111000	118404	137550	318838	112486	162263	623	118775	118130	50889	48345	49182	201148	60538	145280	50439	93474	49365	0	67180	91015	Phytochemical	0.35	1.25	0.05
22	C20 H25 O7 N1	392.17038	392.1708	-0.10964628	392.17035	68216	79872	67584	73150	76033	56644	26811	62273	64276	169262	94390	49138	87608	53523	44059	58309	43759	95609	79115	155847	166172	95538	61493	76944	45125	168425	27630	85791	61910	47576	42132	59453	64653	0	166993	61796	68169	35526	43865	124125	109142	43799	4501	0	2201	85081	92723	0	57519	54546	81236	71308	52487	1746	67057	62274	35144	60224	43714	37559	61705	84633	74852	67169	31435	81806	49589	41404	163691	209297	208248	56333	0	38688	34456	0	1682	40721	58394	53399	47764	55305	37313	76447	80214	45895	59677	41486	47303	59986	72046	81048	0	72439	116251	0	70132	76744	53100	58634	68664	61352	44354	69369	57398	66201	52157	0	41351	94520	Phytochemical	0.35	1.25	0.05
6	C20 H25 O7 N1	392.17038	392.171	-0.14431791	392.17032	166118	88892	153006	78772	40343	41565	41969	166888	54766	209357	87559	81046	69321	29038	107910	84869	52855	58650	77829	190366	440458	135641	113444	176126	84470	80542	42399	69291	67576	68013	69152	139636	179052	64132	493440	132892	82226	51265	133212	112678	118961	39549	1182	0	393	90754	102046	0	86935	135330	85139	163490	40198	395	70529	33591	25293	78328	39159	54978	77527	80602	63920	49213	24076	58048	101980	77822	93922	157765	158709	68036	122638	126204	39803	59644	212	47872	102756	49861	44909	48904	84626	65311	36869	28011	55573	41980	44230	89471	73082	185832	109402	151322	123559	373	85505	161930	31537	33652	38555	83755	44625	94850	58314	67849	34612	0	42143	65255	Phytochemical	0.35	1.25	0.05
4	C20 H25 O7 N1	392.17038	392.17105	-0.14976352	392.17032	35873	38595	32131	33632	19025	19898	17321	38641	23890	66948	35829	21811	31948	15511	26368	68576	32550	26634	30632	70375	74374	58702	29434	37131	19997	38808	18996	27439	29520	27986	28674	31315	36080	26704	85031	33154	37483	44364	40429	51305	108156	18827	705	0	318	42354	50286	0	32850	34114	36619	30626	19376	308	33947	16226	12109	32818	20653	25052	33497	31669	31277	24298	10041	29911	16106	33528	42671	52517	56928	27606	26048	33226	19753	26452	262	20740	51590	27843	47708	23783	47082	26416	20209	15952	27103	15614	19115	55524	41486	42012	101686	34897	58245	722	30766	39499	17701	19226	18869	32554	21672	46298	25126	56098	16061	0	36090	30964	Phytochemical	0.35	1.25	0.05
28	C20 H25 O7 N1	392.17038	392.17078	-0.20361418	392.1703	5852	6185	7761	5315	7391	2897	4354	5673	5094	11960	7395	3239	6876	3795	5842	8958	5677	5919	5000	9740	13722	6652	5970	8628	4671	11958	3136	8109	5149	4824	5035	3940	6721	6623	9116	7776	6484	4475	4993	7424	7443	4610	2065	1319	0	4832	6048	0	7861	6403	6298	4784	5277	0	6177	4355	3942	7795	4264	3285	6507	6234	6616	3940	2732	6350	3955	5066	17522	18634	20855	5096	6162	6710	4239	4454	3203	4648	4613	4776	3270	3262	4352	4920	5538	4020	5049	3168	3550	8567	6754	6080	10287	3577	7036	0	7719	7239	3070	3498	4968	7345	3628	4876	4934	6009	3291	0	3718	5449	Phytochemical	0.35	1.25	0.05
2	C20 H25 O7 N1	392.17038	392.17105	-0.18967776	392.17032	14956	12501	13012	12216	13149	17844	12777	17020	9236	16757	13665	13162	11107	6011	15105	8604	17364	11899	13018	16977	29500	17445	11913	12350	6619	11275	5132	12176	17269	12445	13327	15730	18364	13324	23299	14835	13248	12729	20616	16034	22447	8132	522	0	335	11098	32882	0	14220	10751	13626	11638	9903	0	13887	6522	5525	12588	7508	10886	10203	11217	10344	9908	4930	11989	10717	20838	15054	17510	22791	13982	14595	15356	7289	13752	273	11499	14508	9993	12723	9940	8711	10255	7137	7564	12900	8949	9365	19249	9794	14061	19775	14020	10503	524	13536	15957	8497	7104	8372	11871	10590	16339	10066	13777	6549	0	10157	10305	Phytochemical	0.35	1.25	0.05
6	C19 H25 O6 N3	392.1816	392.1822	-0.17970335	392.18155	62409	68734	54464	62047	18502	0	45627	0	20747	57393	36323	36402	21059	10836	52105	74556	48706	29283	39556	61482	66945	78865	45772	86497	44168	13997	40747	64963	61809	54955	56071	66104	78898	53395	68593	0	71442	48232	68309	54084	65218	26785	0	0	0	60891	61896	0	76301	0	59406	59703	27642	0	29740	11494	20030	72842	34898	39060	64010	42910	18754	20755	12105	27233	30864	75843	16033	33073	29398	53173	49303	0	35031	0	0	35730	50684	264856	41751	27509	47935	37407	13735	17923	49603	32507	31522	100294	582990	209810	122411	69263	68455	0	62720	60713	15321	10403	9888	64063	40507	80182	36755	67073	16289	0	48854	29002	Peptide	0.31578946	1.3157895	0.15789473
2	C19 H25 O6 N3	392.1816	392.18228	-0.19961348	392.18152	22971	21048	17609	20540	7928	0	24703	29739	9567	13895	8458	19778	9163	4659	23842	11757	29579	11942	14101	15687	25505	25132	23566	24012	13308	4059	5409	10852	26470	18095	25643	22995	30792	22377	22286	22520	21657	19457	35387	17753	25867	17561	0	0	0	12899	18296	0	23096	18833	18147	20870	9961	0	14046	3992	7981	25052	13384	16779	12040	12354	9257	10255	8144	13008	13947	43753	6272	9744	9843	22531	23572	0	7417	20263	0	16965	24342	14763	20343	10771	16568	11178	5424	9072	24489	17216	13962	54978	19183	26330	43169	17119	7441	0	20809	20922	6883	5557	5208	19229	18662	19660	12494	26600	5372	0	24966	8557	Peptide	0.31578946	1.3157895	0.15789473
10	C22 H26 O4 N1 Na1	392.18323	392.18384	0.012636382	392.18323	0	131786	7080	6777	47230	54741	0	0	41656	133084	73440	0	36510	27464	0	138910	100344	64542	82204	149372	112874	0	110296	182500	112042	51538	0	151899	195023	54468	0	79028	145692	131346	142796	202575	0	107786	0	142542	124990	0	0	0	0	137278	125052	0	150086	3561	135394	137176	0	0	51852	22964	0	149088	0	114094	155882	86198	33202	43356	0	52008	0	135690	35184	80910	55392	0	125678	128341	97136	198124	0	0	111056	211836	0	87402	0	90666	20926	44616	102220	0	0	179454	1899772	670371	266278	134939	8223	0	132772	0	29774	18802	23858	120580	84994	0	55496	0	29460	0	0	49044	Phytochemical	0.18181819	1.1818181	0.045454547
14	C22 H26 O4 N1 Na1	392.18323	392.18375	0.16725507	392.1833	9350	0	0	0	0	0	0	15779	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	222361	66797	18242	57069	44147	13300	0	81913	20158	0	0	0	0	0	0	0	0	0	0	0	60034	0	0	0	0	0	0	0	0	9302	0	0	0	0	0	0	0	0	8394	0	0	0	0	0	65165	71440	0	107723	0	9910	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32201	0	0	0	13256	0	0	0	0	Phytochemical	0.18181819	1.1818181	0.045454547
6	C16 H29 O6 N3 S1	392.185	392.18515	-0.39923617	392.1848	2184	2214	2782	1900	0	9549	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35624	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1638	3007	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	69416	0	0	0	0	0	0	0	0	0	0	251919	126712	0	5324	0	0	2756	2728	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.8125	0.1875
8	C16 H29 O6 N3 S1	392.185	392.18515	-0.21227986	392.1849	3723	3128	2653	2880	0	1828	0	0	0	0	1706	0	0	0	0	0	0	0	0	0	0	0	0	0	640	1135	0	14727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3783	2178	0	0	0	0	0	1116	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36452	0	0	0	0	0	0	0	0	0	1293	465624	204459	0	6999	0	0	3380	3940	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.8125	0.1875
4	C16 H29 O6 N3 S1	392.185	392.18542	-0.33186486	392.18484	0	0	0	0	0	5352	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	320	0	0	0	0	3609	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16331	0	0	0	0	0	0	0	0	0	0	52143	16834	0	1484	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.8125	0.1875
24	C21 H29 O4 N1 S1	392.189	392.18942	0.07351296	392.18903	4981	3816	2794	3295	0	0	0	0	0	3183	5758	0	1975	0	0	2778	34300	0	1477	4541	2220	2641	0	1343	2905	3639	0	0	0	0	0	0	39103	1039	0	0	38695	1161	26310	2094	7140	0	0	0	0	2071	4399	0	0	0	3221	3320	1084	0	0	1148	840	5577	1550	2582	2344	1944	0	0	0	0	1465	71945	4230	4344	7357	869	0	0	0	1137	0	0	0	3089	912	2684	2276	2222	0	0	1383	0	0	2468	6218	6181	3653	3697	6627	0	1273	3367	0	1778	0	121122	0	1964	2285	7907	0	0	5513	0	Organosulfur	0.1904762	1.3809524	0.04761905
20	C17 H29 O9 N1	392.1915	392.19186	-0.19771644	392.19144	8175	6047	6009	4856	3036	6879	5997	8031	11514	3043	2094	2662	20024	4930	10623	0	0	12973	10787	4836	4095	4730	6270	7041	9578	0	2446	1710	9240	4136	4857	6473	10284	6187	5255	5312	9450	4530	1397	5433	1805	4053	529	0	0	0	0	0	6949	7693	4712	4627	8190	679	24211	5564	3651	7146	3759	0	5828	3216	4935	9799	2716	7623	6387	0	0	1858	0	4640	5532	8355	2207	4260	0	5249	4829	2543	3369	0	4670	0	2603	5454	4484	4027	3623	3106	6365	8206	10565	1992	0	0	6395	7707	5705	6042	6448	6483	4619	4259	2117	3760	5943	0	4465	14189	Lipid	0.5294118	1.7058823	0.05882353
12	C17 H29 O9 N1	392.1915	392.19196	-0.21447453	392.19144	12882	16947	22740	15999	21612	20563	20997	52744	24572	15949	9123	26702	35691	12466	50144	21352	21713	38988	45708	61657	39540	29757	44003	23275	25688	8488	11695	0	50304	24794	35823	21651	39141	26080	36765	42351	28677	30473	28150	28191	12655	24406	1032	0	0	30006	25346	0	26209	28659	21757	17955	28826	321	57000	26718	16809	17091	31923	0	0	17266	40953	31303	19730	28955	23485	14583	0	48493	13108	26366	28376	34819	18559	22317	0	35528	36566	22470	31564	15112	26354	19390	35548	27499	31403	15673	24709	15235	25586	36057	45216	17124	15270	570	18611	18988	23133	20055	27251	23450	23806	13254	0	32014	26785	0	21250	37430	Lipid	0.5294118	1.7058823	0.05882353
18	C17 H29 O9 N1	392.1915	392.1919	-0.24782799	392.1914	29559	28811	30431	24134	25901	27090	19689	25371	43769	28076	9070	7629	66561	22594	26401	15555	9758	52957	56074	23233	14357	19073	18440	23333	29258	4621	9201	12181	36638	23835	29822	29678	43508	19240	40169	32498	38920	24076	9323	19080	3339	19522	812	0	0	10336	5373	0	26746	19536	20174	30193	25014	370	132733	38571	18133	29314	33296	6635	21175	10294	48760	47599	15601	40863	30749	4799	2194	5494	0	22202	20928	31142	10498	21687	0	14786	12246	4240	15456	8379	19060	4957	31525	23696	21617	15276	18246	5115	20816	37057	28001	10840	8213	0	28292	27721	20805	23817	27752	31087	13373	16369	6585	17100	22986	0	14393	51912	Lipid	0.5294118	1.7058823	0.05882353
16	C17 H29 O9 N1	392.1915	392.19193	-0.2314095	392.1914	40141	38213	41859	37945	33177	39906	34516	44670	65613	32692	18058	24607	85587	26674	60030	43421	13312	69428	66048	58797	38972	38285	34988	39956	47458	15010	20221	18977	60654	47287	41107	47720	70230	36244	52302	51839	58504	44159	23125	29428	7382	34575	1489	0	318	25500	19186	0	50008	34349	30302	40962	40204	494	123885	45547	26197	35705	41493	12094	34670	18206	60169	60284	28259	54664	40786	20361	0	20627	8153	41967	38618	48715	24301	37434	0	33957	34717	12262	28148	16060	36588	24800	36014	36533	42320	26805	38440	0	41748	52772	0	16575	33417	0	33716	53146	33319	37002	41191	68284	22696	39657	11784	32232	45883	330	30756	68258	Lipid	0.5294118	1.7058823	0.05882353
16	C23 H30 O1 N1 S1 Na1	392.20184	392.2018	-1.1866043	392.2014	0	0	1590	4648	0	0	0	0	0	0	0	0	0	0	0	2478	0	0	0	0	0	0	0	0	0	0	0	0	25377	0	12320	10788	13213	17719	0	8204	14048	0	0	0	0	0	0	0	0	0	0	0	15463	1112	0	0	0	0	0	0	0	2827	0	0	0	0	0	0	0	0	0	0	0	0	0	14868	34939	5312	1923	9225	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2730	1581	0	0	0	5258	0	0	0	0	0	0	0	0	Organosulfur	0.04347826	1.3043479	0.04347826
0	C16 H29 O8 N3	392.20273	392.20343	-0.25587764	392.20264	4928	4266	6217	3962	7390	22782	2122	7606	4501	0	0	2783	10904	3922	1788	0	2434	16291	6748	0	1822	3452	3516	7242	5343	0	0	1424	12020	3278	7712	9662	17464	31007	2204	7406	13285	2592	2672	0	0	4656	0	0	0	2356	0	0	10060	4539	4141	4196	5951	0	3204	1302	0	8618	0	0	3416	0	8771	3025	1670	12458	7943	2317	0	0	0	32952	28341	7177	0	7531	0	3822	1799	1278	1400	453	0	0	1838	1657	2445	9689	5781	3795	4506	1752	7419	0	0	0	4511	5661	1751	1531	2277	4977	2227	0	0	10288	2591	0	2132	19082	Peptide	0.5	1.8125	0.1875
4	C16 H29 O8 N3	392.20273	392.20343	0.008869603	392.20276	1285	1569	1515	1387	412	746	768	5785	864	0	1701	1041	1222	0	2293	3077	30321	969	463	0	0	780	1272	1993	1918	0	1451	0	1187	1250	1430	1545	1019	1320	0	968	1002	3822	37444	0	0	682	0	0	0	0	0	0	3717	1821	1176	1208	552	0	968	846	759	2411	0	0	3431	0	0	0	0	2312	694	20783	0	0	0	1273	1399	1543	0	1272	0	596	1443	0	1142	316	582	0	1115	1363	1902	0	0	2466	4307	0	1225	0	0	0	1259	2003	640	980	1388	0	1009	0	0	2115	934	0	3720	1356	Peptide	0.5	1.8125	0.1875
12	C21 H29 O6 N1	392.20676	392.20724	-0.19371384	392.2067	70020	67661	77883	67821	33987	32276	66741	102581	31061	113302	61931	48235	30301	18645	72323	96178	78836	48427	62738	161051	144620	88761	70267	94225	65719	100708	51939	59698	100100	77055	95778	87310	110985	77431	161189	78798	85560	62834	97345	109199	87476	38849	539	0	0	79937	67827	0	94277	78989	70770	75948	35596	356	38909	20889	25636	89018	22005	55860	69673	58673	39754	31675	19510	34176	40047	94593	76645	141938	126813	78922	80130	85788	69027	73744	200	61605	59156	36141	58992	38418	39887	58911	26227	30930	64607	31840	46828	148728	88417	77828	116482	56128	82904	871	66608	79911	29022	22736	21706	91622	58218	89144	48538	83793	24956	354	67760	42715	Lipid	0.2857143	1.3809524	0.04761905
14	C21 H29 O6 N1	392.20676	392.20724	-0.19285402	392.2067	116942	104417	108241	115153	52075	57185	94082	149764	50648	113827	76046	108566	50377	37180	93944	181291	139902	65212	74889	178554	172111	115554	94860	152888	108085	148418	82202	85223	116769	116387	108260	118734	140415	93177	157853	118960	115195	88094	136883	119545	127453	67819	0	0	0	90832	99252	0	119881	119627	107950	104295	62424	577	60951	35457	37963	154670	44441	96491	138342	78117	46968	46540	42420	68328	63405	137678	116266	166397	175517	102184	99899	97249	110351	89985	0	95616	106189	79269	96028	56936	70791	81927	58983	44839	110756	55088	66266	171747	131431	109076	168499	67903	105936	677	110673	109652	38330	41555	48107	128504	88068	134684	43970	119946	42828	0	109767	52587	Lipid	0.2857143	1.3809524	0.04761905
10	C21 H29 O6 N1	392.20676	392.20728	-0.2070644	392.2067	99758	91583	89752	85274	29262	36666	69849	132021	28610	148555	65442	73061	34237	20415	67824	105345	92820	36586	54508	195693	163376	103315	69500	111700	59367	72352	68787	65640	123397	124457	106547	142441	146565	122330	180411	136013	143565	65983	101147	119823	86659	36726	734	0	356	78077	65737	0	145051	113050	86707	96908	27123	0	31907	17164	20569	113447	17472	47270	93615	59153	28555	28633	20715	39123	44822	109878	58292	145678	109923	126907	118254	129387	108180	109316	0	77030	63803	48025	59475	26798	31139	58117	17630	23214	54479	39754	49431	91628	120375	66834	131852	55750	112091	0	89315	91588	17398	15671	19431	123895	70163	129658	26456	93225	17661	0	60330	34274	Lipid	0.2857143	1.3809524	0.04761905
8	C21 H29 O6 N1	392.20676	392.2073	-0.19563544	392.2067	106285	115891	93849	111393	23813	35525	82246	154977	23028	155633	70342	82555	29712	15566	84910	119318	106920	32871	54585	194273	170857	114035	77338	127280	78095	62478	81354	70612	144795	140200	128425	168501	156406	138128	198958	145213	181542	78307	123629	136603	88897	37682	712	0	0	99628	72817	0	166684	138638	102676	105688	32385	0	31767	17902	26469	117857	10756	29538	134301	61806	26543	29768	23080	36593	47154	128846	55531	124519	96686	153765	170059	162833	128637	145556	0	95810	76858	64262	72997	26017	32783	68538	19785	24595	66125	43485	51706	108690	115210	99543	167456	69295	123337	0	106935	108690	18764	17497	18133	137429	71371	175814	28510	105937	16359	0	70662	29868	Lipid	0.2857143	1.3809524	0.04761905
4	C21 H29 O6 N1	392.20676	392.2074	-0.21506244	392.20667	28399	33059	27282	28558	5024	9507	22741	51785	6045	34790	18484	21333	6007	5551	28794	41134	30909	11446	13725	45349	41807	36766	23983	42562	30975	19413	22303	11956	42089	34472	38282	39118	36456	32090	40125	43790	43051	22789	42311	33335	27756	12188	0	0	0	34821	30908	0	44773	42127	26543	27205	11329	0	9088	3607	7700	32426	7232	7122	37893	18902	7944	9350	6063	12551	12516	36440	13347	24929	24372	38637	36572	48284	32262	32937	0	28942	24386	17649	24608	13262	15888	21893	7005	8608	20976	12324	15964	30666	36128	26989	53613	23026	42849	0	28190	35895	4422	5096	4829	35305	23433	58462	19333	30526	5332	0	22289	7569	Lipid	0.2857143	1.3809524	0.04761905
26	C21 H29 O6 N1	392.20676	392.20718	-0.17078759	392.2067	14711	14736	17944	15796	22027	11069	3888	11923	22008	16476	12877	7326	23650	6200	7678	13557	9314	12782	24169	28182	27135	15612	7172	16217	8101	25869	3895	14892	11195	6578	11544	11102	14713	14697	23826	11697	13762	8604	13334	20069	19742	9351	0	0	0	11455	11062	0	12381	9071	13958	15062	13934	0	21483	16738	6388	16036	7430	11060	17507	14737	22508	15623	3520	22725	11036	10788	31001	35352	47371	13683	15117	12045	9851	12013	0	6747	11562	7688	11793	6346	9643	10060	21033	9535	14111	11307	7681	16652	16798	13571	19359	6653	11603	0	12067	18544	14139	17159	13919	10083	5981	12845	6731	11515	12551	0	9096	20850	Lipid	0.2857143	1.3809524	0.04761905
24	C21 H29 O6 N1	392.20676	392.2071	-0.14027002	392.2067	75184	64919	70149	66951	91969	62592	26433	60833	61820	130594	82687	36942	102264	41757	39827	63658	43273	93978	106042	169162	151800	72734	46494	74220	40572	140197	20500	84797	56609	54429	41245	61228	69878	70132	161784	59387	79128	32001	39712	110515	81817	52885	0	0	0	77065	58366	0	55986	41335	74245	68268	65793	0	73510	49953	34950	66547	42833	31133	66088	76299	68844	53650	27844	94747	67205	50626	126191	178386	174382	71307	59315	48230	34817	48187	0	38322	50860	41006	39780	41550	34673	73452	72042	40442	53992	49504	48380	64542	67027	79375	85195	58466	92380	0	66299	73398	54813	51350	64919	66715	31207	74656	51916	62855	55538	0	35213	86364	Lipid	0.2857143	1.3809524	0.04761905
6	C21 H29 O6 N1	392.20676	392.20734	-0.20318513	392.2067	67404	65868	64996	63375	16182	22959	45733	99965	15297	93785	42290	47742	20979	10812	54638	92387	61386	21940	36984	109735	103162	88189	44791	97870	51232	44201	45916	36093	90659	87502	84984	99035	97299	84388	114045	92489	87118	45793	83482	73188	71631	27835	0	0	0	64646	71440	0	114541	85761	70503	65842	21056	0	21872	9884	15658	89652	9879	18448	85537	41882	17471	19692	14040	24051	37259	93058	40600	80940	77738	92484	86619	98899	68796	79229	0	50259	40575	37901	42168	22707	26171	50602	12567	19391	44132	27145	31337	78523	79251	65644	108960	50987	86847	0	66590	63189	10328	10480	12038	89066	43938	104629	43359	72332	13294	0	42405	21902	Lipid	0.2857143	1.3809524	0.04761905
16	C21 H29 O6 N1	392.20676	392.20718	-0.19882016	392.2067	151008	159599	155474	153754	99904	82734	126318	151845	85437	183652	120331	111374	106211	62063	117930	192026	201185	120929	151379	290812	301564	173352	131143	199689	115503	333955	103064	123396	144988	162100	139950	165110	173713	133623	208044	174443	161182	100100	218557	198953	197202	99662	2608	430	337	142164	166306	0	173836	170930	153595	136971	97674	643	100154	73449	64371	167215	95604	138028	174889	113148	92535	85426	57614	110994	93642	172469	259753	330088	353767	156052	127368	156701	169599	148262	0	104048	130306	128370	108197	94851	123642	133544	102192	81768	137764	107234	96471	257981	173980	174381	286569	107651	167222	1079	161732	160123	71949	80004	90896	190449	98300	177949	76880	167042	92491	389	131661	102632	Lipid	0.2857143	1.3809524	0.04761905
2	C21 H29 O6 N1	392.20676	392.20743	-0.20735386	392.2067	10478	10215	10445	10581	1629	0	9729	20480	1488	9560	5195	14556	1670	571	11564	11838	15227	3086	3537	13019	12216	12109	9192	12183	7720	5222	7271	4931	17439	17123	16144	16588	14304	15719	11183	19373	14107	9643	16370	9740	11603	3872	0	0	0	7611	9482	0	16730	16561	10128	9456	2641	0	2382	1086	2119	13723	3397	4657	10066	6350	1836	2033	0	3098	4321	17824	4876	7441	8551	16225	17482	20281	12833	16121	0	12295	9205	5759	8233	4210	6773	6687	1622	3325	8092	4211	5163	14624	11021	11471	14776	9162	13276	0	11662	11526	1017	904	966	12356	12704	14860	6107	12265	1494	0	8969	1397	Lipid	0.2857143	1.3809524	0.04761905
22	C18 H33 O6 N1 S1	392.21014	392.21048	-0.17147483	392.21008	1894	1910	0	0	1929	1639	0	14170	0	0	0	1354	3631	0	1446	4650	0	0	0	0	0	0	1353	0	0	0	0	0	7132	6308	21418	15901	12008	22467	0	7016	7908	0	0	0	0	1383	0	0	0	0	1215	0	3634	10091	1782	2331	1563	0	0	0	0	4285	0	0	6812	0	2091	0	0	9240	7510	0	0	0	0	7877	1612	4121	0	3507	0	2079	0	1697	0	0	0	0	0	1265	1952	2051	0	1614	3507	3398	0	0	0	0	0	3064	1122	0	0	11980	1555	0	0	8830	0	0	0	0	Organosulfur	0.33333334	1.8333334	0.055555556
12	C20 H29 O5 N3	392.218	392.2184	-0.1941533	392.21793	5873	3264	2843	2002	0	1417	0	11214	1562	3242	1994	1641	0	1363	3969	4714	8528	0	0	5232	2129	8067	3211	4479	6330	0	2863	0	6155	2826	3912	3756	5519	6758	2356	3493	8740	3413	5251	8399	0	1310	0	0	0	4256	3398	0	5370	4163	4169	4912	1766	0	0	0	854	4566	0	0	0	3415	0	0	0	1282	1135	9062	0	3534	2091	4220	4201	4914	2345	4505	0	2332	3040	0	2859	1589	1541	3730	0	1057	3442	2677	2033	10622	27157	8665	11540	5004	3406	0	3415	2276	0	0	0	4855	2257	0	0	7920	0	0	3354	1313	Peptide	0.25	1.45	0.15
10	C20 H29 O5 N3	392.218	392.2185	-0.16744214	392.21793	10165	7397	6537	9831	1108	2807	5221	6279	1183	7536	4005	5490	964	1520	4284	6701	6067	1650	2045	11929	6802	9893	5333	5808	9066	3926	5245	7364	9025	5055	6433	9437	8466	7754	7223	9908	12775	5838	7715	14572	5439	2518	0	0	0	6391	7265	0	10016	7097	8046	9601	1308	0	2520	622	2096	12050	2205	1691	0	5330	1425	0	1393	2301	3357	12149	0	8221	5884	7822	6381	6841	6336	7618	0	4793	5575	24918	6680	1004	1909	3735	0	1555	5784	3733	2870	12006	135556	55791	20909	9878	10071	0	6886	7183	0	0	904	8288	4127	7634	0	9296	1052	0	6851	1430	Peptide	0.25	1.45	0.15
6	C20 H29 O5 N3	392.218	392.21854	-0.27023882	392.2179	11794	13451	12456	14362	2459	10402	9408	18180	2231	13822	7617	6417	1205	1761	10983	15253	9801	5899	4914	15948	11991	15555	12059	19030	15216	2821	8702	38644	14500	12599	12924	16552	16991	11615	14302	12286	17461	8982	11268	11575	6474	7874	0	0	0	8742	7203	0	17800	12048	13724	13456	5238	0	3409	0	2333	21274	1772	1534	18224	5148	2208	1705	4486	2113	6199	16493	2305	7577	3516	13528	11953	14311	7604	8443	0	7979	7196	175843	7167	2853	4203	6953	1521	4585	8109	7565	5756	16372	303420	127715	30642	21547	17700	0	16077	12560	1793	0	1362	14335	8088	13385	0	13002	1987	0	11229	2564	Peptide	0.25	1.45	0.15
14	C20 H29 O5 N3	392.218	392.21844	-0.16080764	392.21793	4715	0	3093	4896	1787	1582	3306	3402	0	0	0	0	0	0	1915	3437	2773	0	0	3874	1849	0	1540	4201	4869	4083	2563	0	5750	4429	3772	0	5029	3411	3890	3843	3982	2256	2750	3175	0	1060	0	0	0	3987	0	0	0	2727	3795	2677	0	0	0	0	655	0	0	0	0	2437	0	0	0	2650	1561	6361	0	3103	4719	2208	2937	5199	4536	5396	0	3772	2877	0	2817	0	3702	2406	0	0	4699	0	0	5436	20252	7966	9178	0	3227	0	3998	3831	1036	0	0	2626	3081	3201	0	4424	0	0	2470	0	Peptide	0.25	1.45	0.15
22	C20 H29 O5 N3	392.218	392.2183	-0.5660813	392.21777	1764	0	0	0	0	0	0	1429	1377	0	0	0	0	0	1195	0	0	0	0	0	3253	2091	1143	2179	0	0	0	7394	0	0	0	0	2294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2671	0	0	0	0	0	0	0	0	0	0	2678	2665	1888	1929	0	1670	0	0	0	0	0	2999	0	27654	0	0	0	0	2260	0	0	0	0	0	0	0	0	0	1426	1283	0	0	0	2614	0	0	6608	0	0	0	0	0	Peptide	0.25	1.45	0.15
14	C23 H30 O3 N1 Na1	392.2196	392.22006	-0.017111572	392.2196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1498	0	0	0	0	0	0	0	24456	3402	5707	12396	0	0	0	6992	0	0	0	0	0	0	0	0	0	0	0	0	4221	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2261	0	0	5409	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.13043478	1.3043479	0.04347826
8	C17 H33 O5 N3 S1	392.22137	392.22165	-0.6327213	392.22113	0	1595	1465	0	0	699	0	0	0	0	1054	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38956	0	0	0	0	0	0	0	0	0	0	0	0	0	925	0	0	0	0	0	0	0	0	1131	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	177630	0	0	0	0	0	0	0	0	0	0	82991	29017	0	8250	1100	0	0	1124	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29411766	1.9411764	0.1764706
4	C17 H33 O5 N3 S1	392.22137	392.222	-0.2383038	392.22128	413	0	591	0	0	375	0	0	0	0	0	0	0	0	0	0	0	296	0	0	0	0	0	0	0	0	0	10281	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	75322	0	0	0	0	0	0	0	0	0	0	76340	45667	0	1534	0	0	0	1104	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29411766	1.9411764	0.1764706
8	C22 H33 O5 N1	392.24316	392.24365	-0.23155977	392.24307	33055	29599	23391	31066	2989	11396	27047	47893	3111	31750	16251	30552	2696	2950	32400	44980	46415	2951	10720	45695	36794	25682	20164	42297	30762	12376	33140	13886	38107	40787	41092	50779	45279	37028	37195	44376	51392	29857	49442	27085	10405	9577	0	0	0	21610	18473	0	57660	46104	30347	30048	6409	0	3683	1659	5726	44928	0	0	41098	9364	2727	3597	5720	4781	8142	51492	11317	23813	20132	40478	36800	48323	55500	37610	0	30683	25174	14996	22175	1310	2520	17393	1231	3534	30077	6692	11996	57421	62800	13988	65730	17803	37439	0	33862	35144	2691	1607	0	51947	23802	39066	0	41655	0	0	25318	2750	Lipid	0.22727273	1.5	0.045454547
16	C22 H33 O5 N1	392.24316	392.24356	-0.20247686	392.24307	16960	11485	14223	11151	9120	5989	14964	17930	4149	12872	12342	9882	0	8852	11282	19152	20440	6699	10262	16252	13899	12407	9870	18171	12211	18746	17820	11638	11994	15858	11934	21036	16532	13976	14208	13907	15335	8965	22894	12949	7984	9270	262	0	0	6494	6253	0	21858	11844	16012	9092	10534	0	2592	5201	7446	19340	5799	8174	21112	6259	3540	3061	4778	7585	7162	27796	15051	19765	20813	14138	14776	14523	26165	13559	0	6631	12622	19889	10489	4241	3605	8504	4147	4251	20881	9857	7921	47870	29133	12426	0	11150	17647	0	11186	12881	6406	6024	5883	20791	10727	15174	10405	19226	6616	0	17397	3849	Lipid	0.22727273	1.5	0.045454547
18	C22 H33 O5 N1	392.24316	392.24353	-0.27283725	392.24304	28151	30629	31267	33004	22410	17260	25949	32871	14949	28396	26352	24764	18351	13132	22394	54137	49473	18307	25251	42284	35709	26695	18611	35989	29196	58867	37152	31963	32086	30631	23749	31536	36214	32297	26092	37537	28696	19714	48541	16777	37387	24458	3101	2177	1481	13480	27257	3204	35870	33529	31049	33440	19394	2161	12642	20809	18493	35664	17999	27487	31303	11133	8174	10821	13775	21228	23340	63043	49454	37525	70120	29506	24271	33441	54324	31254	1398	19847	32601	35853	20703	12751	18490	18819	26340	15049	38846	23067	25304	72808	48445	28485	52414	23528	33476	2902	26875	32609	15268	17577	27467	40240	18993	31504	17049	33788	19504	3674	37155	9928	Lipid	0.22727273	1.5	0.045454547
10	C22 H33 O5 N1	392.24316	392.24365	-0.19288152	392.24307	27126	24282	26492	22890	4590	9162	21835	44458	2607	34187	14764	24097	1460	4556	25208	40672	23720	3136	12300	43782	33524	18916	20238	38006	29264	15090	27157	16493	34425	39195	34905	42658	51443	39900	37462	41559	43511	23707	24348	25416	6935	8593	0	0	0	20138	11335	0	53513	36854	27949	28348	8311	0	3489	1630	4151	40603	0	0	38100	6509	3485	5021	4155	3797	10668	34419	8998	27381	18500	44518	35887	37021	32132	34576	0	27513	15810	13267	16394	1109	0	17193	2711	4715	19590	10641	14838	48519	53196	8455	57486	15212	33669	0	29404	24735	3558	2016	2905	41331	20190	31960	0	32255	1376	0	19069	3107	Lipid	0.22727273	1.5	0.045454547
6	C22 H33 O5 N1	392.24316	392.24374	-0.20638911	392.24307	18724	20258	17926	16425	2098	3669	13001	40266	664	16702	6604	13184	1157	810	25539	32169	17421	2471	5366	20889	20435	14279	16238	33177	40547	6749	15684	7942	29049	25977	27961	29204	26100	24878	20326	28665	26739	21465	22491	11936	6404	4848	0	0	0	12098	7689	0	35006	30278	17092	18163	3484	0	1321	779	3423	28925	0	0	28011	6506	1544	1532	2667	1729	6230	28226	4310	11697	10956	27634	25892	31914	23541	25845	0	17708	14000	11880	10246	1320	1858	9848	2720	2805	20090	4385	5932	67949	27577	8895	54519	8890	19357	0	17833	16277	909	0	917	26156	14960	22664	0	33534	745	0	22944	1202	Lipid	0.22727273	1.5	0.045454547
26	C22 H33 O5 N1	392.24316	392.24356	-0.13984776	392.2431	29256	27634	28058	28283	29405	21304	13086	22812	25221	29309	29993	13695	33651	20770	18376	29659	24977	29289	38079	50518	53535	29465	12668	28683	26908	53407	12284	33953	27934	30567	20008	24347	40999	25703	45166	33789	37862	18859	22415	38090	36138	20769	0	0	0	27755	20054	0	25965	21547	29387	27502	25830	0	32396	23712	17645	30361	25966	16308	34385	26339	26638	24468	12920	30261	29922	22885	56158	52529	67811	22072	27057	28502	15201	22704	0	19373	21756	33981	13100	16850	22322	30462	26409	10505	38700	17607	19582	47143	46813	53010	37180	23735	27606	0	27645	32705	16077	19976	25331	43891	12423	38494	19794	28366	25755	0	21543	23004	Lipid	0.22727273	1.5	0.045454547
14	C21 H33 O4 N3	392.2544	392.25482	-0.20153005	392.2543	16983	14981	12055	15107	0	17633	0	2086	0	2052	7485	0	0	1315	0	2418	2030	0	0	0	0	0	0	0	1701	0	1269	177349	2137	0	0	0	5378	0	0	0	2456	0	0	0	0	3619	0	0	0	0	0	0	0	0	12292	14742	972	0	0	840	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1296	0	0	0	0	0	738739	0	0	0	0	0	0	0	0	1521	0	1799605	281765	0	66176	8246	0	11034	15115	1014	0	0	0	0	0	0	1420	0	0	0	0	Peptide	0.1904762	1.5714285	0.14285715
16	C21 H33 O4 N3	392.2544	392.25488	-0.17844754	392.2543	3013	0	1983	0	0	1625	0	0	0	0	1530	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10257	0	0	1495	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3306	2813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1427	0	0	0	0	0	0	0	0	0	0	0	16355	0	0	0	0	0	0	0	0	0	0	457635	70490	0	5737	1902	0	2249	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.1904762	1.5714285	0.14285715
12	C21 H33 O4 N3	392.2544	392.25485	-0.10409068	392.25433	2255	2540	1845	2149	0	4466	0	0	0	0	0	0	0	0	0	7471	1788	0	0	0	0	0	0	0	0	0	0	120876	0	0	0	0	3370	0	0	0	0	0	0	0	0	928	0	0	0	0	0	0	0	0	1711	0	0	0	0	0	0	2819	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1025686	0	0	0	0	0	858	0	0	0	0	174376	29381	0	34838	1169	0	2777	2650	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.1904762	1.5714285	0.14285715
18	C21 H33 O4 N3	392.2544	392.2548	-0.13288374	392.25433	0	1677	2175	1929	0	6219	0	0	0	0	2972	0	0	0	0	0	1664	0	0	0	0	0	0	0	0	0	0	10522	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2758	1423	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1653	0	0	0	0	0	1458	1412	0	0	0	0	28447	0	0	0	0	0	0	0	0	0	1955	309648	26662	0	3908	0	0	2955	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.1904762	1.5714285	0.14285715
24	C19 H37 O7 N1	392.26428	392.2642	-0.117308535	392.26422	0	0	0	0	0	0	1764	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20536	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2194	0	0	0	0	0	0	0	0	0	0	3719	4237	0	0	0	0	0	0	0	0	0	0	0	0	2062	0	0	0	0	0	Lipid	0.36842105	1.9473684	0.05263158
26	C23 H37 O4 N1	392.27954	392.27994	-0.16163069	392.27948	9363	7642	8168	9268	6887	5041	9699	0	4045	8024	16280	0	0	5454	6891	10678	13728	8343	13555	8454	7730	7377	4942	4830	17754	37033	9919	20292	13352	7315	6004	10423	11445	9972	9407	12666	9133	9376	12921	7232	10113	11290	0	0	0	5037	6098	0	10299	6535	9469	6003	10237	0	4508	0	4338	15230	6394	5057	13801	5861	2676	4500	3047	8987	11173	19943	19822	16395	20251	4719	5144	8519	6202	7760	0	5357	9031	15254	2930	8655	10395	11084	5053	0	25844	5757	7138	26497	14943	15783	11325	11512	10274	0	8399	9677	6413	7030	7228	12885	4218	8570	6597	7358	6693	0	15685	3053	Lipid	0.17391305	1.6086956	0.04347826
12	C23 H37 O4 N1	392.27954	392.27994	-0.15154624	392.27948	3047	0	1655	1715	0	1616	2672	6123	0	0	0	2617	0	1617	3264	8500	2429	0	0	0	0	0	1387	3886	11934	0	5047	0	5604	5746	7721	4969	13791	5522	2279	6553	12319	2459	2528	0	0	1854	0	0	0	0	0	0	9605	8323	2050	2859	0	0	0	0	0	6213	0	0	0	0	0	0	0	0	2030	3987	0	0	0	7064	3818	5844	4193	3828	0	5647	3005	0	2539	0	0	1035	0	0	11178	948	1626	104982	4749	0	17115	0	2224	0	3442	2799	0	0	0	7666	4930	0	0	6719	0	0	5391	0	Lipid	0.17391305	1.6086956	0.04347826
14	C23 H37 O4 N1	392.27954	392.2799	-0.17242569	392.27948	2771	4779	2347	2402	0	1268	6947	14792	0	0	0	4005	0	0	1412	9763	0	0	0	1999	0	0	2264	0	5026	0	14431	0	7538	14919	9156	0	8255	3883	0	6819	6051	2420	0	2465	0	0	0	0	0	0	0	0	9486	10544	2216	1536	0	0	0	0	0	8701	0	0	0	0	0	0	0	0	1236	2567	0	1724	0	7709	6259	9678	6848	10435	0	4791	0	0	0	0	0	0	0	0	41314	0	0	45512	15722	0	8797	0	4135	0	3069	0	0	0	0	3344	5364	0	0	5420	0	0	2238	0	Lipid	0.17391305	1.6086956	0.04347826
24	C23 H37 O4 N1	392.27954	392.2799	-0.2004447	392.27945	7491	6815	6582	9434	6354	4193	8245	7560	2281	7024	8650	4829	2676	4849	4526	22388	17136	3764	6993	7745	11272	4411	5740	5195	11476	23116	6977	13256	9421	8854	8262	9572	9138	6606	6400	11491	9728	4289	11608	9238	10567	6562	0	0	0	3100	8757	0	11756	7973	7681	9515	4599	0	3820	4006	3238	16560	2458	5527	16333	2413	3131	3244	2324	8259	5480	15674	14992	10069	17998	6486	8769	7780	7658	9529	0	3646	8024	9257	4810	3034	4842	8914	5553	4110	22080	5745	6066	61595	15450	14345	10803	9016	8224	0	5683	10698	4391	3549	5830	9547	3962	8795	1852	6982	3469	0	8578	3919	Lipid	0.17391305	1.6086956	0.04347826
8	C23 H37 O4 N1	392.27954	392.28	-0.21773356	392.27945	1172	1497	0	1394	0	0	868	5241	0	0	0	2518	0	0	1058	6259	2069	0	0	826	0	0	922	2737	5016	0	1678	0	3377	2730	3639	2082	3406	1318	0	3318	2725	1118	3472	0	0	0	0	0	0	0	0	0	3512	5507	1177	1567	0	0	0	0	0	3188	0	0	4905	0	0	0	0	0	0	2496	0	0	0	3343	2329	2505	2194	1418	0	1749	2303	0	1075	0	0	0	0	0	4205	0	0	29567	0	0	15245	0	0	0	897	1063	0	0	0	2454	1327	0	0	4221	0	0	3210	0	Lipid	0.17391305	1.6086956	0.04347826
10	C23 H37 O4 N1	392.27954	392.2799	-0.2196486	392.27945	3125	3839	3324	3127	0	7391	3459	6347	0	0	0	3173	0	0	1363	7294	2783	0	0	2018	0	0	1452	5575	5935	0	5977	0	3964	6625	6603	4978	4926	1593	0	4734	6457	2963	1680	0	0	0	0	0	0	0	0	0	8004	10861	3017	3545	747	0	0	0	0	7100	0	0	0	0	0	0	0	0	0	6806	0	0	0	6095	4688	5124	6559	4911	0	3450	6800	0	1850	0	0	0	0	0	6017	0	0	52863	3947	0	21287	0	3594	0	3057	1754	0	0	0	4741	3735	0	0	9660	0	0	5408	0	Lipid	0.17391305	1.6086956	0.04347826
16	C23 H37 O4 N1	392.27954	392.27972	-0.17884284	392.27948	0	0	0	1594	0	0	0	4515	0	0	0	1803	0	0	2725	3604	1433	0	0	0	0	0	1170	0	8375	1375	5735	2666	4604	1468	3337	3864	3968	1541	0	3915	1622	1359	0	0	0	0	0	0	0	0	0	0	2426	6902	0	0	0	0	0	0	0	4018	0	0	0	0	0	0	0	0	0	2933	0	0	0	1578	2079	3649	0	1284	0	2401	0	0	1365	0	0	1279	0	0	2153	0	1120	31520	7772	0	0	0	0	0	0	0	0	0	0	0	1102	0	0	0	0	0	0	0	Lipid	0.17391305	1.6086956	0.04347826
24	C20 H41 O6 N1	392.30066	392.30035	-0.6058597	392.3004	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5806	0	0	0	0	0	0	0	0	0	839	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26131	0	0	0	0	0	0	0	0	0	0	4344	7130	0	5411	0	0	0	0	24563	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3	2.05	0.05
14	C24 H41 O3 N1	392.31592	392.3163	-0.3284706	392.3158	0	0	0	0	0	0	11403	10700	0	0	0	9993	0	0	2152	30158	1932	0	0	0	0	0	0	0	15339	0	13689	0	5391	5877	73557	0	2152	0	0	1563	2363	3536	0	0	0	1278	0	0	0	0	0	0	4062	9182	0	0	0	0	0	0	0	3403	0	0	20725	0	0	0	3271	0	1138	1755	0	0	0	0	0	2282	6275	1274	0	5940	0	0	0	0	0	0	0	0	0	0	0	16028	0	0	0	0	0	0	0	0	0	0	0	4684	7505	0	0	4394	0	0	1722	0	Lipid	0.125	1.7083334	0.041666668
12	C24 H41 O3 N1	392.31592	392.31592	0.21514751	392.316	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2544	0	0	0	0	0	4475	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1768	0	0	23412	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1537	0	Lipid	0.125	1.7083334	0.041666668
16	C24 H41 O3 N1	392.31592	392.3164	-0.04690011	392.3159	2365	2880	0	1493	0	0	4493	13702	0	0	0	6441	0	0	1346	20863	3402	0	0	0	0	0	2708	9512	11799	0	9322	0	5377	7858	64416	11157	8200	7525	0	11429	5776	3037	0	0	0	1671	0	0	0	0	0	0	8973	14207	3002	1830	0	0	0	0	0	15367	0	0	17272	0	0	0	0	0	0	7224	0	0	0	11052	7510	6198	13015	9392	0	3713	2061	0	0	0	0	0	0	0	0	0	0	0	3478	0	0	0	0	0	2829	1735	0	0	0	3574	6282	0	0	0	0	0	3863	0	Lipid	0.125	1.7083334	0.041666668
14	C17 H12 O11	393.04523	393.04575	-0.010444	393.04523	9007	10599	6433	11679	34770	9979	0	0	42802	0	5656	3563	60009	7936	1577	0	0	30890	33255	2464	0	20983	7180	0	0	0	1216	0	0	0	1820	0	2035	0	3625	0	2218	5105	0	0	5640	7496	0	0	0	1976	5354	404	0	0	6942	8588	20013	0	27162	35490	13566	2308	0	5842	0	0	66195	41743	10969	37999	7828	3008	0	0	0	0	0	0	0	0	0	2156	9219	0	9034	2497	0	0	35266	8737	4944	12200	11911	5424	0	0	3034	21597	6617	0	9784	4835	28305	61244	47441	1881	3528	0	0	1525	24129	0	0	59535	Phytochemical	0.64705884	0.7058824	0.0
22	C17 H12 O11	393.04523	393.04572	0.046782568	393.04526	2376	2312	4095	2651	16988	9405	1175	0	20380	0	0	1262	32175	8994	2409	0	0	17876	13775	0	0	4759	3349	0	0	0	0	1468	0	0	0	0	1871	0	0	0	0	2384	0	1655	0	2371	0	0	464	0	1687	0	0	0	2080	4510	10939	0	18841	17403	9143	1481	0	0	0	0	31914	19863	2741	14296	3198	0	0	1861	0	0	0	0	0	0	548	1291	8980	1907	7573	1568	0	0	25085	8457	4252	4369	3594	3380	0	0	1701	5194	4417	0	3334	3587	10109	22970	25947	1452	1576	1135	1965	0	12351	0	1522	32566	Phytochemical	0.64705884	0.7058824	0.0
18	C17 H12 O11	393.04523	393.04572	7.98645E-4	393.04523	8145	5899	5286	6069	26868	13343	1822	0	25639	0	2011	3198	58508	15291	2409	0	0	29643	27232	0	2229	9551	6804	0	0	0	2339	0	0	0	0	0	2704	0	2763	0	0	2819	1694	1769	2364	5420	409	0	293	0	2829	1378	0	0	8714	8910	16677	216	20136	31271	6009	0	0	1456	0	1550	57082	35589	8370	36730	6633	0	1675	0	0	0	0	0	0	0	348	1281	10579	4396	9201	2260	0	0	36300	11997	6020	5790	10749	2044	0	0	0	11882	3886	0	7615	5427	20755	44842	36718	1700	2490	0	0	2485	19989	0	1621	48696	Phytochemical	0.64705884	0.7058824	0.0
28	C17 H12 O11	393.04523	393.0456	-0.022213198	393.04523	5061	5330	5924	6003	15091	8825	2339	0	17117	1288	0	2900	37186	12163	3831	2153	0	28070	21339	0	0	3038	6228	2827	2184	0	2577	0	0	0	2956	0	4376	0	14718	0	2960	3079	890	0	2116	2112	0	0	0	0	0	2225	1701	0	6287	4719	10077	0	17291	12419	4688	2548	0	997	2094	0	34961	14846	4803	16261	2857	1398	0	0	0	951	0	0	0	0	0	3211	9413	0	11156	0	0	0	19744	8272	5516	4098	3981	2004	861	1059	3279	2299	1860	0	6768	4142	7843	13680	15302	2198	2401	0	2573	1855	14923	0	2307	30366	Phytochemical	0.64705884	0.7058824	0.0
12	C17 H12 O11	393.04523	393.04578	-0.07368395	393.0452	11264	11698	7278	9124	38030	6566	0	0	52979	3140	5150	5324	57774	8398	0	0	4786	27104	36324	0	6606	13206	7920	0	0	840	0	0	0	0	0	0	5814	0	0	0	4604	5092	3404	0	0	9138	0	0	0	0	0	0	0	2936	8866	10040	12162	0	26102	48784	14972	0	0	0	0	0	97072	44376	14300	40366	6750	0	0	0	0	0	0	0	0	0	0	2960	6760	0	5434	3580	0	0	42514	9936	5736	13948	11490	0	0	0	0	25044	7782	0	8674	14302	32680	60292	53900	0	5450	0	0	4310	27634	0	0	73198	Phytochemical	0.64705884	0.7058824	0.0
16	C17 H12 O11	393.04523	393.04578	0.018467885	393.04526	6275	6667	9598	7647	32072	12592	0	0	37402	3809	1827	4716	67582	17616	2632	0	2986	34655	32086	2294	0	12683	4400	1901	0	0	2671	0	0	0	1795	0	3083	0	2045	0	4774	6387	2544	0	4410	5453	604	0	0	1220	7443	660	0	0	9235	7576	24224	0	31499	39193	13974	0	3095	1742	0	1823	73549	35876	12051	49015	11981	0	0	0	0	0	0	0	2050	0	275	1945	9921	6874	7096	1958	0	0	47018	13126	8078	9660	14732	0	0	0	0	15292	5933	0	8721	7933	23786	49224	52685	2022	1344	0	0	0	22086	0	1051	75218	Phytochemical	0.64705884	0.7058824	0.0
24	C17 H12 O11	393.04523	393.04565	0.022630572	393.04526	3974	5260	1479	2692	13670	9625	1682	0	16051	0	0	1893	30154	8149	2758	1356	0	22653	15482	0	0	0	5631	1341	1549	0	1819	0	0	0	0	0	2874	0	2279	0	2185	2484	0	0	0	0	0	0	0	1116	1095	0	0	0	4340	3475	10060	0	17224	12991	5660	0	0	0	2324	0	32663	19703	3972	17442	3793	0	0	0	0	0	0	0	1237	0	0	1878	8118	1319	6527	1232	1093	0	21860	12302	5437	2541	5302	1930	0	0	1740	4418	3901	0	3893	5300	8193	16942	17036	0	1348	0	0	1216	14137	0	1471	37511	Phytochemical	0.64705884	0.7058824	0.0
20	C17 H12 O11	393.04523	393.04572	0.057763733	393.04526	5853	6248	3992	3654	21711	10228	1417	0	17480	0	0	1680	48604	17573	4124	0	0	19771	15386	0	1932	3691	4785	0	1622	1281	1314	0	0	0	0	0	1447	1230	3612	0	0	1752	0	1732	1430	1891	902	0	373	0	2036	2116	0	0	5307	4659	13276	0	15822	22823	9855	0	0	2012	0	1185	45457	20959	7466	30786	7439	2162	0	0	2175	0	0	0	0	0	846	1544	7311	4871	7475	1835	0	0	31314	13566	5212	3834	7682	0	0	0	2440	9962	2678	0	3878	5284	13153	30207	33464	1834	2253	0	1579	0	17755	0	0	48714	Phytochemical	0.64705884	0.7058824	0.0
26	C17 H12 O11	393.04523	393.0456	-0.029120607	393.04523	3993	3865	4529	3454	15475	10246	2675	0	12735	0	0	0	25739	9084	0	0	0	28764	21803	0	0	0	5997	0	0	0	1747	0	0	0	0	0	3346	0	0	0	2571	6050	0	0	0	0	0	0	0	0	0	0	2481	0	4707	3978	9234	0	22490	12251	6381	3631	0	0	4086	0	36177	15053	4764	17041	2394	0	0	0	0	0	0	0	0	0	0	2716	9949	0	11650	0	0	0	24153	8666	6861	2811	3771	1551	0	0	0	2392	0	0	4765	5238	5965	12296	13865	0	0	0	0	2892	11265	0	5449	30786	Phytochemical	0.64705884	0.7058824	0.0
22	C18 H16 O8 S1	393.06387	393.0644	0.04278264	393.06387	2610	1654	4427	2806	5010	2724	0	0	4558	11113	4377	0	8948	0	0	2267	0	10820	6541	5181	3641	18318	1365	2183	0	3974	1370	5098	1583	0	0	0	0	0	15206	1481	0	1383	0	8383	6936	2770	0	0	0	2018	3534	0	0	0	1818	4001	2407	0	5143	4013	0	1421	2831	1172	0	5012	4005	3414	2096	6641	0	0	5488	7794	7672	0	0	0	0	0	0	0	2282	10629	1007	2298	3173	4218	4396	2855	0	1846	1618	2011	3824	5454	3503	24109	23008	0	1865	3019	2922	3119	3821	0	0	2184	2759	0	4366	0	1555	11545	Organosulfur	0.44444445	0.8888889	0.0
26	C11 H20 O13 S1	393.06973	393.06967	-0.6075287	393.0695	0	0	2010	0	0	0	7201	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9960	0	6842	5968	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5635	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25691	13325	32966	3256	11525	0	6888	16146	17264	0	0	0	0	0	0	0	0	0	0	0	0	9663	22233	0	0	0	0	0	13139	0	18286	0	Organosulfur	1.1818181	1.8181819	0.0
12	C12 H16 O9 N4 S1	393.07108	393.07144	-0.10161306	393.07104	11868	7101	10139	8791	4804	12322	12671	20732	13993	2514	2417	7387	5352	1067	43539	22861	0	4328	18118	0	2885	24516	27877	55872	51373	0	7094	0	9122	7470	14775	4599	20080	2539	8530	5402	6496	35069	0	5595	0	12734	0	0	0	15080	0	0	9133	6238	8187	9773	15353	0	40860	4632	15089	22368	0	0	29673	5873	6325	19458	7027	8324	24118	0	0	3534	0	7674	3144	1122	0	3984	0	11410	54060	0	32062	4977	3809	1964	5118	14012	34135	3389	8504	12037	14038	15310	95217	15658	16045	0	9628	9454	3987	5812	4263	9766	10011	8778	0	78379	2501	0	33445	7948	Peptide	0.75	1.3333334	0.33333334
8	C22 H16 O5 S1	393.07913	393.07974	-0.01247469	393.0791	1304	0	1245	0	2674	0	0	0	2491	0	2773	0	1211	1795	0	1373	0	1424	1885	1333	0	0	0	0	0	450	0	0	0	0	0	0	0	0	3657	0	0	0	0	1803	1315	0	0	0	0	0	0	0	0	0	1564	1604	1231	0	1256	1168	1954	0	0	0	0	2115	2369	1740	0	1082	0	0	0	0	0	0	819	0	31296	0	0	850	0	0	886	851	0	0	1775	0	0	1637	0	0	0	0	0	2772	0	0	1445	0	3440	1783	2711	0	0	0	0	0	0	0	0	2880	Organosulfur	0.22727273	0.72727275	0.0
10	C22 H16 O5 S1	393.07913	393.07977	0.08987339	393.07916	0	0	1700	1583	2841	2678	0	0	4304	3840	3850	1946	3050	0	0	0	0	1323	2036	0	2223	2761	1424	0	0	0	0	0	0	0	0	0	1547	0	3331	0	0	1452	1319	2607	3229	1044	0	0	0	0	0	0	0	0	0	1641	2458	0	2277	3262	2618	0	0	0	0	6256	5107	5728	2653	3207	1465	2884	0	0	3526	0	0	0	25888	0	0	1153	0	0	2284	1486	733	0	2534	2572	971	1544	2234	0	0	0	0	3038	3492	0	0	0	3105	3277	2546	0	0	0	0	0	3534	0	0	3125	Organosulfur	0.22727273	0.72727275	0.0
6	C18 H16 O10	393.08163	393.08228	-0.024288949	393.0816	9185	8901	6026	10472	18029	5991	2868	2550	24670	17563	14724	4222	29444	6063	2087	6239	4161	18368	16050	8778	17234	7333	7341	4346	1340	2638	2840	0	2275	1858	2194	2359	5669	2673	21202	2633	2678	4460	4469	4215	11385	6624	0	0	0	3136	9069	0	3816	2068	9695	10170	11718	0	20287	21806	7672	5029	1625	4951	6500	4904	37408	20909	7340	22650	8559	6979	7885	6273	14367	2909	2848	1203	0	3195	0	3265	8138	2997	6633	2981	999	1426	28680	12123	6451	10244	9385	5544	0	2654	5020	13076	7761	0	9093	7781	19259	31565	30821	5897	3453	3746	0	6701	17379	0	1884	33726	Phytochemical	0.5555556	0.8888889	0.0
28	C18 H16 O10	393.08163	393.082	-0.03114457	393.0816	8167	6194	7282	6316	13117	6312	1752	0	12736	9814	2890	2323	31164	8353	4125	2438	0	22501	17543	6171	6604	7410	5003	2950	0	0	2859	2269	0	0	1250	1419	2367	1469	11458	0	3494	4405	1411	3287	4916	3611	1221	0	0	5221	8578	2424	0	0	7917	5610	9796	0	16549	12621	4838	1911	2581	1576	2857	4551	24914	11340	4358	17348	5118	1745	3659	4223	4098	1177	988	0	0	1931	0	1897	7976	5451	6650	5643	1840	2252	17928	7548	5918	5302	6608	1395	2275	2974	2459	8858	8982	0	6749	6940	9493	12096	12473	3209	2856	0	6717	2634	10577	0	2067	25917	Phytochemical	0.5555556	0.8888889	0.0
24	C18 H16 O10	393.08163	393.0821	0.12587297	393.08167	8562	11654	9054	8420	22821	12248	1397	0	28559	16859	4267	2632	60071	11984	5801	1340	2469	29632	26933	5052	10835	18760	6352	2551	3514	3338	1513	2612	0	0	1317	1007	1970	0	19908	1822	4328	3021	2131	5258	6833	3403	0	0	0	7105	10375	0	1760	0	10287	8632	16915	0	33643	24450	8422	2524	3729	886	2766	7995	41730	25578	6250	26693	6478	1527	3853	7242	5348	2202	1302	0	0	0	0	2046	9383	9616	11955	8276	0	4164	36842	15055	8933	3259	4000	2234	3024	2973	3227	12172	20257	0	10695	8730	17180	23033	25188	3956	1832	2557	9644	2920	19493	0	2718	50472	Phytochemical	0.5555556	0.8888889	0.0
10	C18 H16 O10	393.08163	393.08215	-0.06256429	393.0816	80750	75459	68903	64564	104314	53512	23020	33088	131531	143309	124265	39756	167924	42316	33096	33219	37267	116813	122203	94431	141710	127090	50397	36611	10865	22324	29187	42449	21191	17359	25915	24456	48352	21847	190176	19365	40545	41521	39128	62515	110065	44119	1754	0	0	47890	98867	865	26818	26890	75491	71202	69283	0	127375	107125	50486	39132	23584	41032	31785	68470	203985	137260	48702	125992	59700	41591	85143	53897	96363	25349	23169	14016	25485	23682	0	25613	63779	90001	57215	49400	12619	20754	146282	50877	58323	53055	52006	48697	24581	42268	49577	147126	120961	0	69108	71810	120272	151915	122031	36517	31092	35411	65814	35924	103216	0	21115	174678	Phytochemical	0.5555556	0.8888889	0.0
18	C18 H16 O10	393.08163	393.0821	-0.05506893	393.0816	99078	80673	78060	84425	152168	106098	27287	31583	140196	114638	70840	25864	307395	81466	54353	28884	16332	200847	183141	80454	97043	129893	59668	37263	26606	21537	15792	37873	24922	16084	28794	20028	52737	28281	142138	24327	57300	42709	22511	66590	56484	46134	4225	474	1124	73489	84702	1731	24758	18943	73406	75292	102717	1235	194285	137403	63631	40057	33949	23046	33664	72739	268179	160345	57664	192239	72046	20762	40993	42934	54781	25339	17952	8839	15274	18251	1212	34823	76726	80890	55842	88643	17493	33470	151156	89702	73518	50389	66301	26230	35739	55319	66203	105260	128419	997	80922	70650	116788	153353	139700	35863	28750	38433	64739	33337	104894	1023	27083	266696	Phytochemical	0.5555556	0.8888889	0.0
20	C18 H16 O10	393.08163	393.08206	-0.041966006	393.0816	42879	38907	42849	38103	81390	55046	9047	12377	88363	53082	24912	10846	161447	49678	24224	14389	8071	99731	84413	35690	42398	61854	33153	16179	13697	9611	8774	11380	9398	4180	9767	8432	17669	6093	43677	6333	21082	18771	9790	32193	26958	17386	2025	0	1015	34295	45000	2527	9815	7822	39347	36289	49041	721	85075	81464	36519	14843	14670	10571	13699	22805	152748	93075	27133	97131	32339	6664	17302	20925	20678	9262	5522	5626	6328	8829	1580	12711	39142	42829	33132	35269	7004	13481	102112	45587	27547	22718	28268	7657	20637	23219	14937	67656	56653	1032	36478	38236	66020	85342	83145	16378	12771	10177	35181	13564	59231	1224	9853	153950	Phytochemical	0.5555556	0.8888889	0.0
22	C18 H16 O10	393.08163	393.08212	0.043665532	393.08163	19631	17283	19757	15718	42849	22977	5365	2611	46750	25097	7416	6360	71760	22286	8800	2539	1795	55480	35533	16278	16252	42923	10627	4171	5443	6592	3138	4259	4022	2521	2824	0	9461	3391	28488	2354	7619	7739	3434	5391	9895	7211	0	0	1166	18011	25555	0	3124	1884	17962	21883	32240	897	53201	43253	16127	4890	5867	4157	6770	8277	80848	50082	14346	47567	14177	2191	14787	7946	7571	4429	1990	1585	1351	1782	1470	6679	21514	16993	18324	22222	3536	4751	54611	24556	16402	9341	10568	3985	6098	4844	6437	36355	39385	0	18154	18320	26018	52972	41610	4374	4757	4241	16283	8174	34238	0	5107	87641	Phytochemical	0.5555556	0.8888889	0.0
8	C18 H16 O10	393.08163	393.0822	-0.082426034	393.0816	33548	38119	28469	32397	51139	23410	7465	11726	65770	65372	56469	19253	79243	16988	14570	15204	18899	49014	62469	39369	67908	59116	22321	13479	3661	9331	9281	12741	7171	9288	11999	10534	16806	7898	83102	7312	16798	16599	20533	23028	55727	21264	0	0	0	25654	36045	0	13295	12824	38131	36993	30067	0	50867	60037	27049	14781	12124	20312	17692	25832	109346	64746	27075	55244	27481	24027	35480	19842	52463	11622	9325	6062	12104	10333	0	11566	31863	22432	26273	15519	6384	9615	71155	25180	26531	27752	26307	26764	0	12172	18922	64868	46945	0	35404	32901	70668	89534	68106	18755	14017	18194	22859	16167	52480	0	11003	89050	Phytochemical	0.5555556	0.8888889	0.0
26	C18 H16 O10	393.08163	393.08206	-0.004356689	393.08163	6400	6777	8796	5613	13974	11759	0	0	19371	6684	2534	0	39602	7875	0	0	0	26347	23514	4643	8011	9759	4813	0	0	0	2024	0	0	0	0	0	1801	0	9684	0	2083	0	0	5266	4195	0	0	0	0	0	9194	0	0	0	6475	6327	9903	0	21322	14143	5005	2355	0	0	0	3271	28573	17886	0	15322	4350	0	0	5489	4252	0	0	0	0	0	0	0	5793	0	8791	5237	0	2385	16752	8506	3881	3875	4945	0	0	2289	0	9197	11224	0	9453	7261	9877	17452	14848	0	2746	0	0	2683	8970	0	0	35063	Phytochemical	0.5555556	0.8888889	0.0
14	C17 H16 O9 N2	393.09286	393.09338	-0.018424505	393.09283	36820	34609	30077	34381	46625	23593	14927	15757	47266	56602	33953	18969	70620	19130	13708	18586	34879	51956	44745	35150	67615	82881	25883	25787	15727	6401	14627	12280	10845	8074	14829	15148	33435	10891	77415	11195	31806	16788	32699	43954	74394	23340	0	0	0	35509	63002	0	19128	8687	29537	31588	26940	305	58418	32529	19686	28289	15495	15202	0	49560	86119	56812	19117	50387	26740	34072	22440	18615	29361	9007	7331	6438	13991	8307	0	15246	25817	38310	25611	26949	9106	13452	44927	16216	32309	25215	27582	60959	12924	28284	51656	71436	52312	0	30610	36660	22939	42810	34285	23859	18503	11895	35530	34048	26380	0	15182	75214	Phytochemical	0.5294118	0.9411765	0.11764706
6	C17 H16 O9 N2	393.09286	393.0935	-0.08176711	393.09283	8344	9375	7094	9354	12271	5457	2684	2847	17366	10459	9037	4361	20068	3364	2524	6187	3450	14841	13460	8595	17728	15850	6338	6560	855	792	1915	0	3589	4755	3535	2921	5304	3333	16959	3569	6483	3393	5666	9148	19473	6194	0	0	0	6729	14556	0	3695	3877	8469	9477	7097	0	18387	14239	6382	4974	3995	4120	5374	6616	36486	15652	7692	15591	6062	5745	3808	2982	8308	3282	2367	2123	1769	2491	0	3145	4701	4269	3878	4620	1826	2596	17875	2904	5465	9135	6695	9986	0	4307	13020	14411	8175	0	8229	8661	9358	17734	14310	7732	4178	5205	0	6037	10348	0	1661	31496	Phytochemical	0.5294118	0.9411765	0.11764706
12	C17 H16 O9 N2	393.09286	393.0934	-0.04671835	393.09283	34729	38360	38121	38992	42302	21079	10533	13141	53527	57840	50683	18573	72704	13458	16736	17937	35066	51340	56677	35497	78780	104860	27221	25019	9174	6913	13984	18126	14843	12636	17001	10437	24758	13065	99663	10557	26054	22266	31383	53216	118510	20357	0	0	0	37386	110900	0	15924	13176	28642	38673	30052	0	60489	37164	22439	16916	20854	32538	0	64327	101691	57054	20310	57936	25431	36798	32601	21141	51041	13724	10767	9687	18674	12479	0	15345	28369	66368	20057	39401	11481	16836	49726	19850	23646	29035	24984	58802	11717	38328	39647	98637	52631	0	38435	40332	31242	43019	39425	24580	20759	13571	41814	31647	31483	0	13579	93510	Phytochemical	0.5294118	0.9411765	0.11764706
8	C17 H16 O9 N2	393.09286	393.09348	-0.0768433	393.09283	20589	21600	14623	24755	28640	12216	5253	9919	34695	28566	30482	11281	50185	6660	9172	13133	16526	25213	34689	24206	40790	47951	15984	14428	3342	3376	4814	6319	7318	6255	9561	7748	16449	7902	47927	6436	13311	9684	14752	30825	59101	13724	0	0	0	25634	47821	0	8826	7395	19007	21604	17001	0	41245	25908	13979	10789	10820	15790	10769	27633	69232	38273	13076	33183	14469	17622	15367	11207	24602	9518	7984	4812	8885	9028	0	6869	15735	12613	10314	15548	4723	7661	34605	11904	12135	20514	14857	26626	0	15354	20935	36447	25564	0	20540	22245	22805	37334	27361	17473	11373	8410	19251	16501	19627	0	6497	59794	Phytochemical	0.5294118	0.9411765	0.11764706
18	C17 H16 O9 N2	393.09286	393.09332	-0.04420447	393.09283	14539	15432	12192	13540	19538	12119	10821	3826	13971	13994	9296	10419	22633	9095	9384	11561	33073	20817	22982	8327	19517	32469	15106	20398	7180	0	13791	2886	4587	2568	9089	4161	22265	0	22168	2947	22694	7365	29429	15101	15315	11811	826	0	0	9550	18903	0	9758	5832	11364	16579	19659	0	15226	11313	9593	12694	6642	7311	10573	10003	25228	19552	8789	20698	14965	33518	1888	2731	6247	2084	3148	1871	9143	0	0	9310	27872	22328	23097	9982	3550	5279	19504	8562	24631	19772	17039	36122	4939	7866	26033	30556	22027	0	14124	10534	9081	15412	12950	23926	5548	5398	10041	20280	12036	0	14301	24012	Phytochemical	0.5294118	0.9411765	0.11764706
16	C17 H16 O9 N2	393.09286	393.09335	-0.016339516	393.09286	17290	22956	17436	18718	34103	21222	7993	9005	31465	34015	19768	12581	41612	9404	14632	13293	17336	26779	27997	13440	28228	53112	17333	14858	8277	3308	6114	6615	7884	6583	7874	9813	20858	6519	36940	3476	17637	12477	17864	25779	38647	11100	583	0	0	19388	33455	0	8058	7776	23150	24849	22904	0	33577	25496	14707	15559	12116	12050	6782	25322	55452	27483	15683	34757	15381	21312	11355	8248	10653	7163	3822	2664	8767	3554	0	8368	25714	32510	18187	20931	7988	8287	30666	15437	22685	19200	18609	26153	15971	21737	33801	43163	42976	0	21828	19211	15836	26774	24092	18325	7650	6814	18477	20331	21502	0	12516	57410	Phytochemical	0.5294118	0.9411765	0.11764706
10	C17 H16 O9 N2	393.09286	393.0934	-0.08580359	393.09283	39903	34518	30737	37379	40366	23261	10834	14964	49227	52011	46795	23054	71361	11568	15632	20102	24321	40453	45040	36610	74297	65455	25116	24236	5933	7433	12902	10512	15722	11946	15367	16860	28590	13834	78014	10842	26479	15703	28646	55272	89897	18286	0	0	0	34138	62787	0	14692	13243	33026	33442	26532	0	57966	37697	19831	20767	17670	21945	22187	50866	95705	51847	17729	43493	25118	32608	30667	19370	43269	10746	11057	10724	18206	11418	0	16259	25892	30730	21021	29268	8188	11655	49536	18540	21940	25616	26846	41660	12577	18081	39589	64846	45854	0	34002	37162	31314	51662	41762	24353	16312	12483	35878	23194	27224	0	13349	86841	Phytochemical	0.5294118	0.9411765	0.11764706
24	C22 H16 O7	393.0969	393.09726	-0.09033131	393.09683	7966	7146	6577	5542	10007	6949	1867	4600	14496	23255	12992	4576	10506	6817	1705	1715	1508	12199	11126	7538	13465	21314	10532	7192	1392	28574	1164	8582	0	0	3538	1026	4624	3466	20370	1921	7408	3134	6143	7785	20167	5422	0	0	0	8554	22121	0	3140	0	10699	8562	8017	0	6735	3395	4235	5416	3746	2854	6576	11601	16107	10894	4107	5720	7255	1766	30470	21687	49966	768	2482	0	0	2130	0	7360	14018	9439	10406	13910	2901	8758	13595	5248	4883	7377	7314	5083	1744	2078	9000	20611	18226	0	12443	6902	9165	4945	12676	4730	4762	2429	6832	4851	5860	0	3323	15562	Phytochemical	0.3181818	0.72727275	0.0
18	C22 H16 O7	393.0969	393.09735	0.01767463	393.0969	11120	12851	8649	11569	10681	3316	1680	3361	12700	41598	37937	1222	9691	5792	3611	5586	3620	10639	10522	30218	29677	20057	4619	3007	0	66491	2832	19213	0	1305	2597	0	3095	0	51855	2277	5849	5510	3359	20709	20781	3132	281	0	0	9836	15664	0	1536	1756	8912	9796	8706	0	5941	8019	5141	3498	3763	4816	2749	11001	9984	9328	6061	7754	6129	4948	54362	51703	69900	2410	0	0	0	0	0	1949	7768	17902	8833	11516	3860	14385	10717	5871	7702	4669	5821	5032	6134	6649	4578	25722	32383	0	8070	9972	9481	10362	8612	2829	2200	6441	9042	1432	9899	0	4980	7973	Phytochemical	0.3181818	0.72727275	0.0
22	C22 H16 O7	393.0969	393.0973	-0.0605618	393.09686	10945	13384	14605	17030	8535	6516	4007	1992	13429	31330	38617	4509	6086	11423	2984	3996	4120	17938	13338	22901	23362	23930	6176	4323	3756	67861	3076	27652	3257	1475	3689	0	3160	1566	47062	1862	3965	2706	4994	19784	22511	7795	0	0	0	20720	25907	0	2289	3286	10837	13034	8578	0	10626	9679	6141	4135	5151	9171	3112	13929	17143	10090	9397	11613	8835	3499	55143	53447	73990	1616	0	0	2145	2784	0	3583	10976	20817	6475	20472	3563	20025	20908	10628	10467	7766	8964	12822	6811	9843	4862	43136	32958	0	11095	11659	15722	9845	10213	2563	3161	6264	18161	5725	8775	0	5208	15737	Phytochemical	0.3181818	0.72727275	0.0
16	C22 H16 O7	393.0969	393.09735	-0.047998536	393.09686	5264	4577	3117	7515	3506	3614	1621	0	5108	20969	13075	1909	4552	2253	2107	2939	1655	4562	7906	9086	15741	11037	2565	2140	1762	31115	1604	12982	0	0	1513	0	4089	0	31113	0	1996	2444	4358	9049	8546	1885	0	0	0	8829	9218	0	1675	1238	4992	4769	3294	0	3158	4502	1942	2077	0	2427	0	5395	8495	1970	2633	5492	3798	3281	27713	32977	40132	0	0	0	0	1394	0	1100	3977	8014	3657	6644	1448	8149	2410	4156	5304	3877	2212	0	4961	2971	0	7290	12354	0	3736	6845	4627	4084	3662	1662	0	2365	5437	0	3976	0	3373	6130	Phytochemical	0.3181818	0.72727275	0.0
20	C22 H16 O7	393.0969	393.09735	0.033442244	393.0969	20632	18273	14494	9088	16525	8309	2944	0	13960	46626	49831	4491	13335	8292	3682	4907	3093	16084	15158	32054	32057	21922	3706	4813	6406	83458	4015	37193	3590	3629	4137	1944	4322	0	71922	2564	6627	4459	3026	27890	30819	6380	527	0	0	21078	25173	0	2444	2223	16537	17696	9748	0	11988	12469	7854	6166	3295	5829	4339	16901	14387	11981	7054	12636	12723	5963	64976	69138	101658	1960	1884	0	2149	2522	0	2530	12707	24259	6388	15669	5033	30093	13261	10938	12565	10489	9767	12158	8257	14912	3789	39716	38648	0	15417	15852	19772	16017	11394	3556	3097	5424	15935	4329	11355	0	6772	8315	Phytochemical	0.3181818	0.72727275	0.0
8	C23 H20 O4 S1	393.1155	393.1161	-0.008962176	393.1155	2171	3582	1740	4087	2663	1418	2419	2215	1483	3237	0	3106	2003	0	2464	3342	2890	2250	2732	2481	2592	2901	1630	2582	2635	1854	4295	0	3073	3714	2641	2601	2149	3128	3599	1999	2853	3039	3511	4034	1927	2802	0	0	0	2434	1986	0	4631	2605	2769	3899	3098	0	3198	1260	3204	3450	6953	3954	0	6845	2301	3267	2599	3941	3723	5019	0	0	0	3063	1721	0	92262	2205	0	2387	2799	0	3022	3034	3390	0	3129	0	4855	2426	3040	2799	0	0	2785	0	0	0	3758	1095	3187	3943	0	1726	2635	2941	0	3696	4547	0	2857	3067	Organosulfur	0.17391305	0.8695652	0.0
24	C19 H20 O9	393.118	393.1184	-0.064371265	393.11798	26830	32076	23268	30538	36769	23416	7691	16460	40574	62488	18218	14388	71823	17276	18320	16158	9664	52281	43240	38790	44139	47615	22294	16668	13261	28762	5545	12480	12065	9255	12025	13940	20061	11850	58287	11752	19788	16026	10792	29696	24337	12918	3270	0	0	29824	32000	0	11807	9044	29589	30428	22443	0	53154	40367	19194	17438	12036	8528	13658	20532	68563	39010	12693	44114	15815	7604	29827	46429	40136	12373	12119	8832	7517	11118	0	13072	29148	26594	27065	26392	9286	19934	51683	18767	19590	10012	14944	11168	13169	18470	14913	30793	51742	2168	24369	27529	27351	41600	43351	16153	11863	15845	23856	13558	28563	2447	13238	78478	Phytochemical	0.47368422	1.0526316	0.0
26	C19 H20 O9	393.118	393.11844	-0.0706862	393.11798	14912	16204	14478	14711	27111	16370	2296	9160	23708	34714	9074	8911	56297	12691	10431	8237	0	31913	27174	29810	27823	23260	12066	9447	7734	11891	3914	5561	6281	0	7338	5004	11491	6145	31549	6981	7752	7923	4678	14033	14914	8464	0	0	0	17268	17657	0	6418	6884	13701	13267	14921	0	31230	21732	7756	9348	5444	4741	11918	10217	41567	24046	5516	28933	9373	4314	18361	30109	25334	8142	7430	0	0	6324	0	6178	15401	10213	12241	11989	5261	12089	26331	13555	14223	7174	9089	4512	8862	9338	12222	7702	22441	0	18080	16797	13865	23801	26216	9555	6658	9234	14990	6749	14810	0	6387	45478	Phytochemical	0.47368422	1.0526316	0.0
28	C19 H20 O9	393.118	393.1184	-0.11881191	393.11795	12076	11907	11401	12656	15484	12201	5534	6948	17680	23068	9365	5984	30949	9586	8369	6756	5612	22049	20059	24217	25633	14523	12393	8477	7180	11103	5475	7239	7515	4183	7061	6804	8890	5248	25842	5843	7519	7471	5235	13243	10526	9352	2457	1285	0	13035	16645	2017	7851	6260	12012	11693	14235	0	21269	16590	8421	9488	5261	4349	8324	10614	21173	12944	6597	17523	7423	5794	13599	26803	22948	7633	6648	5918	4970	7102	0	6754	12422	8139	10542	9594	5416	9331	16593	11056	10715	5908	6308	4786	9689	9541	7792	10184	15238	1472	12858	12283	10848	16880	16169	9891	7026	5918	11251	6798	11094	0	7046	24645	Phytochemical	0.47368422	1.0526316	0.0
8	C19 H20 O9	393.118	393.11862	-0.050786074	393.11798	107859	110752	155630	215284	143842	51492	50198	77977	189824	398938	286066	142618	188622	45433	116160	93228	148796	173418	222394	338402	398220	242082	156588	187802	27032	212484	52634	81298	65937	71279	61346	75075	76032	58770	493864	68453	146916	60628	199028	252538	334392	97134	2213	835	999	209428	314148	736	80914	74221	201072	208534	113244	982	198586	140314	96244	75455	68220	93618	98191	191806	234990	186228	45515	154960	116160	202986	177510	324784	520538	80828	70852	61691	106006	75127	847	55315	195016	65635	167744	158236	55936	139866	192750	48823	149838	94906	135482	194712	52486	67816	166408	203580	205542	1558	207574	196892	193682	184510	85988	78093	59998	95114	74381	145860	81356	674	57824	204642	Phytochemical	0.47368422	1.0526316	0.0
20	C19 H20 O9	393.118	393.11844	-0.084360994	393.11798	187584	188311	182626	151122	221075	177761	81905	125255	248195	348182	145714	85131	361361	131046	132651	98326	61780	287220	256291	295219	273607	229910	144699	129678	99962	189376	82228	114402	112490	97556	108332	99693	137870	102417	363380	82422	162833	100775	74945	221126	154751	92499	9793	3988	3145	215540	212839	4952	112847	95975	178882	201240	165295	3363	257721	198920	104507	120421	119617	59311	117916	161550	335447	225343	91999	229151	129212	71273	186754	317992	254570	112548	105812	93641	63147	101112	2798	98258	170615	116956	130303	158876	72430	148374	224004	126737	139424	102612	114205	67155	123918	153226	148358	157965	183831	4787	175101	170861	173980	194670	188098	116375	86873	120317	162200	112743	165801	3952	90109	383846	Phytochemical	0.47368422	1.0526316	0.0
22	C19 H20 O9	393.118	393.11844	-0.09779506	393.11798	67655	66521	72904	64916	96450	66129	27834	47026	99550	124690	45893	25546	130715	50847	45820	44676	21946	106892	87548	90193	109333	83897	58309	45636	36110	71157	23260	41676	33935	27937	33335	34124	39817	33715	134900	33617	58449	42399	28119	75306	58122	27659	6932	0	2998	74788	78966	0	44142	32526	69621	61631	63119	2813	112269	86945	43471	41688	38223	23537	41034	59506	135116	89549	35575	101033	44706	26490	63228	123704	94808	39055	29746	29519	21472	33065	2546	33859	71870	35558	56436	60657	30422	51750	107794	51070	55529	34690	44851	27095	44945	42951	51280	58250	89557	2855	62817	60500	69392	88644	80842	42557	31345	41340	65614	41451	67631	0	31699	148524	Phytochemical	0.47368422	1.0526316	0.0
6	C22 H20 O3 N2 S1	393.12674	393.12714	-0.2230106	393.12665	0	0	0	0	0	0	0	0	0	0	1148	610	0	0	0	1451	0	0	0	0	0	935	0	0	0	0	0	0	0	642	0	0	0	1000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	715	0	0	0	0	0	0	0	0	1135	0	0	0	0	0	0	0	0	0	0	0	0	883	0	24415	0	0	0	0	0	0	394	0	0	611	0	726	0	588	1439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.13636364	0.90909094	0.09090909
8	C22 H20 O3 N2 S1	393.12674	393.12717	-0.46061388	393.12656	1844	2221	1758	6018	2527	1323	4883	1315	3950	0	1572	5929	7909	1605	3647	6575	2274	7606	6160	8350	5310	2833	3027	5813	986	0	2996	0	0	7399	4822	2157	2609	0	2871	6454	2714	3738	6919	0	2202	3233	0	0	0	0	0	0	1233	1217	3200	3170	5891	0	7409	7339	1279	7060	9753	1764	0	0	7981	8492	0	6571	5831	5320	0	0	0	3447	2436	6028	74570	6498	0	4407	4411	0	1320	1046	762	0	5758	0	1939	3107	5393	6852	0	0	9365	0	3342	0	1805	7236	3848	6741	7181	3350	4060	0	0	7802	4234	0	4258	8742	Organosulfur	0.13636364	0.90909094	0.09090909
20	C18 H20 O8 N2	393.12924	393.1297	-0.012151386	393.12924	17164	14889	11012	12748	20063	13820	11377	11099	15829	12996	12384	10845	25083	8410	14073	10110	8476	28224	20962	10297	15454	26855	11632	14566	14817	2076	10099	4406	12852	9651	12394	6294	13424	11511	24492	9822	19785	12212	5726	21116	15687	10340	1035	719	360	10165	15583	0	11945	8388	14093	16978	15049	427	20820	12275	10192	18934	9390	4092	12484	12546	14788	13330	5460	12612	9750	8038	6945	10843	7209	13355	8682	5267	5444	9405	511	12062	21401	12183	13783	8070	9363	9868	8263	10312	18157	14218	12383	17604	14005	17392	30911	16031	10552	0	12108	15076	12660	15760	21054	13261	10031	8216	6879	21392	9683	772	17696	23766	Phytochemical	0.44444445	1.1111112	0.11111111
6	C18 H20 O8 N2	393.12924	393.12985	-0.0833192	393.1292	94495	101766	95937	95601	66063	42114	46937	88414	84080	159580	118324	67143	107729	28559	60676	95696	85315	97433	114477	122026	210426	168177	75705	108872	27165	30597	43608	56602	72996	74469	71527	82424	106245	78263	225537	73664	95274	57362	112542	117191	216838	54639	1219	0	0	117819	212493	0	97519	70321	96290	104273	58218	0	98445	60445	46670	92725	69731	110177	88953	101438	123094	92285	39072	91988	66458	116014	80581	74990	131566	72822	74851	62285	45175	66913	0	53475	63469	66247	59467	77810	47169	53608	77110	53564	70252	68480	66526	123817	54114	88933	133881	117386	126319	0	102017	89534	50702	75191	74377	100618	61019	106267	113249	90950	62507	0	47594	130509	Phytochemical	0.44444445	1.1111112	0.11111111
2	C18 H20 O8 N2	393.12924	393.12994	-0.13652353	393.12918	8532	7457	5876	5019	9152	0	3622	5966	11283	6837	9565	5543	16962	4261	5242	1532	5882	10811	9508	6023	16218	11027	6130	3929	1025	2105	0	3736	5454	2446	4862	3801	8630	3847	14047	3342	6668	3602	5430	7256	13147	5794	0	0	0	4333	8885	0	5248	3018	6339	5992	7653	0	12776	8229	4524	6862	3066	5692	1787	5082	18731	12399	4026	11786	7599	8945	4016	4215	6869	5909	5182	3401	316	4874	0	3703	6097	2681	5160	3876	2770	2987	9167	4333	5707	9085	6604	11747	2968	5260	13836	10346	1869	0	5457	5468	7267	12668	10467	4563	4812	4264	5684	8675	6986	0	2931	20218	Phytochemical	0.44444445	1.1111112	0.11111111
18	C18 H20 O8 N2	393.12924	393.1297	-0.041840877	393.1292	73283	63751	79248	70119	45372	59070	150248	75246	47153	73945	44634	52364	59635	53314	92230	99598	23364	69261	77823	42207	50488	74218	61645	154831	95011	15061	93608	39316	97728	67920	122255	79127	267292	79642	77119	57774	227331	83496	33387	60462	51395	57747	1703	439	445	62353	47231	748	144003	49710	71774	73532	75668	660	54066	38199	45754	130103	29161	23930	101547	46533	51186	49729	43985	61891	78465	31515	25527	36538	34413	56662	31611	26709	30682	40207	473	69080	61752	41618	54217	36948	24689	31980	46155	56181	67917	85989	83614	52930	40790	50574	120321	40003	56592	1092	74893	73092	39996	75594	63442	207987	67878	30688	24752	156415	28531	711	91823	78584	Phytochemical	0.44444445	1.1111112	0.11111111
4	C18 H20 O8 N2	393.12924	393.1299	-0.14469814	393.12918	23386	22093	20040	20680	15888	9799	7501	18711	23748	27964	26471	13464	31068	8539	13471	21136	25568	23480	24283	24550	39645	34660	18138	20834	5799	7798	9903	11538	12595	11200	13743	15090	18696	11741	42052	11678	21232	13420	32989	24402	47464	13522	0	0	0	26147	43677	0	18720	17342	20855	18600	15656	0	26508	20659	10835	12307	13763	23270	21962	19563	36513	25650	12349	24416	12295	29299	20551	13270	22099	14370	10985	11112	5797	12289	0	11877	18120	16613	14693	16955	10077	9442	27152	13660	15833	16531	14441	26279	11023	14709	34360	24218	25829	0	19806	23331	17782	31805	25446	20261	12069	26884	21249	18897	17725	0	9060	33004	Phytochemical	0.44444445	1.1111112	0.11111111
22	C23 H20 O6	393.13327	393.1337	-0.07527387	393.13324	34452	28356	33175	32244	30745	17344	6935	13219	33593	67413	95666	9301	25264	16015	9724	12821	8463	27978	31661	62896	83348	39114	17096	17924	12244	217587	9383	88534	8818	11117	7969	11998	13197	10599	88820	7312	17281	10216	12014	56335	70701	18115	0	0	0	41575	44527	0	9774	10204	35733	25394	22576	383	22287	24144	16417	17425	13628	18036	17214	40124	30880	21027	16862	34451	31076	9276	189683	155189	235868	8705	8520	3718	6347	8211	0	7308	28390	39904	19590	35249	13780	51772	44125	27436	24401	16188	22710	20542	19586	21047	17798	57930	43312	0	32293	31741	34967	34822	26430	15607	7623	19450	24690	16280	27747	0	14760	27852	Phytochemical	0.26086956	0.8695652	0.0
20	C23 H20 O6	393.13327	393.1337	-0.069220476	393.13324	36598	38857	27314	29957	27074	16384	7170	14058	30889	75210	71586	7743	29269	21189	11331	20751	12757	31178	28192	59748	62665	39077	16444	14798	12323	192789	10189	64125	10580	10055	10305	11128	19295	12056	93578	13114	18078	11341	14030	46362	64391	15943	944	0	0	28574	43868	0	14087	10901	30606	28766	19837	0	23948	21785	19715	16376	12662	16746	17635	33814	26407	22822	16459	28944	21817	14069	149033	166614	237082	13761	10565	9856	9903	11971	0	10588	24129	35855	18850	26676	15369	50375	30612	17309	32973	18824	15155	24739	22923	25235	27661	38679	41759	0	33387	30544	30693	27047	17739	15250	10649	15163	25956	15972	22957	0	12722	28807	Phytochemical	0.26086956	0.8695652	0.0
18	C23 H20 O6	393.13327	393.1337	-0.11451958	393.1332	24768	21681	21634	18971	16238	10259	8631	13077	13388	38840	38150	6543	14479	11666	7403	12622	9946	16008	20549	38325	38291	22532	14217	10433	7528	101837	9681	30995	7423	10886	11319	10216	8979	8778	38254	10184	9368	7510	12279	29885	33626	10627	454	0	0	19318	18868	0	10837	10221	19696	23595	11488	0	16849	13196	9730	19348	11144	9684	13625	19626	20500	9970	10667	18693	17410	8517	89709	90942	126653	9850	7945	4839	9893	9814	0	6852	19778	26172	14082	18216	12062	21935	16623	11965	21832	12238	16792	20463	17759	17204	15394	19600	28788	0	21760	21314	17480	18196	10804	10629	8847	13462	11235	12099	12414	0	10684	11247	Phytochemical	0.26086956	0.8695652	0.0
26	C23 H20 O6	393.13327	393.13358	-0.17927527	393.1332	3833	4434	6666	5121	6651	2681	0	0	4569	12058	13608	0	4629	2517	0	0	0	0	7820	11085	8357	4320	0	0	0	30814	1663	10267	0	0	0	0	0	0	18864	0	0	2642	0	6569	11805	0	0	0	0	0	8002	0	2410	0	4047	3958	3779	0	0	0	3964	0	0	0	0	5710	4704	4327	2562	6948	4583	2145	34123	21965	40894	0	0	0	0	0	0	0	4359	8829	2639	7431	0	7976	9210	0	3354	3429	3158	2998	2064	2186	0	8446	9593	0	3644	5519	4983	6938	7147	0	0	0	0	0	5054	0	2617	6116	Phytochemical	0.26086956	0.8695652	0.0
8	C20 H24 O8	393.1544	393.15497	-0.1568531	393.15433	88979	186030	128288	175192	78240	30984	116934	185786	109032	188174	66376	138798	93748	29060	129936	207176	161428	46101	58848	254814	245130	95719	136724	216552	92346	195612	131032	113072	148916	171950	153282	173956	73094	122614	230664	156052	148682	66842	176458	93284	198262	40985	3977	1913	3341	196242	206678	2273	179424	171410	165770	169704	76028	2320	144372	45996	39201	168134	151206	86233	101475	66072	101336	109180	34453	42713	68080	189642	111412	118481	306946	78188	159752	165228	50051	171896	2292	114870	175940	54740	165330	135044	148092	64455	57420	37305	141136	62734	91676	186550	58210	76770	86995	65832	149900	3764	178044	166826	51561	57446	56217	157928	129498	214776	66490	133638	43609	2429	139774	50200	Phytochemical	0.4	1.2	0.0
10	C20 H24 O8	393.1544	393.1549	-0.13623108	393.15433	526330	491936	447288	432310	244618	109290	347144	596822	344764	638806	407364	383890	308166	86413	378292	629194	409396	312746	398688	780520	797776	513200	427518	662210	290820	859020	399640	181842	445456	505896	474964	506846	496784	405762	733250	484916	449972	388448	518648	561556	605062	225690	8387	3266	4958	538274	524080	3955	524184	504092	509738	540860	247474	4091	407116	265768	204406	535992	496236	475692	314491	365874	335570	303356	89685	299248	123259	521258	356115	911598	1018296	432362	444354	539688	414982	509874	3763	367264	530824	129210	505994	409266	443860	349828	381114	219992	449206	206202	264308	484248	178337	409674	550556	325552	454524	7253	494110	514852	298046	318814	292094	454138	357566	584104	218127	393152	283234	3844	375126	331628	Phytochemical	0.4	1.2	0.0
28	C20 H24 O8	393.1544	393.15482	-0.15037124	393.15433	25069	21926	21202	24690	21761	16570	13464	24346	21325	42694	16310	12717	48472	15385	18404	24361	16002	30958	31065	48054	41719	24539	28200	29123	15507	33100	11723	18667	26065	22028	18575	19909	23393	18436	47962	19597	21920	15497	17201	25476	21482	15813	3631	3695	4802	19835	18187	3981	20170	22701	23351	22736	18936	3817	28807	25582	15118	24228	12692	11468	32034	14499	31781	21751	10630	34947	16892	15353	29100	51954	37933	18194	17007	18118	16302	19692	5254	14503	21879	11077	21376	12522	14346	17387	21510	16165	21958	12436	15827	16063	22473	24029	30607	13096	16246	2764	24699	24816	17517	27681	29385	21530	15813	23724	13257	19474	12815	2241	13625	36342	Phytochemical	0.4	1.2	0.0
26	C20 H24 O8	393.1544	393.15485	-0.09995815	393.15436	43507	36753	34596	37018	42089	32021	14224	43806	46597	67189	25420	29332	79357	30383	43496	43896	20771	57745	56559	79278	75402	43980	37652	47191	20580	32431	16702	21581	41178	28821	27441	30597	38560	32326	66291	38341	43912	26346	24125	41031	35135	21508	0	0	0	37668	30108	0	38331	30059	42214	39128	27902	0	53061	41756	26078	36272	21729	15986	45538	25268	59922	42230	17160	49840	25900	23227	41720	76937	64294	39908	34009	32080	28039	34275	0	27312	41644	18129	39898	24758	22209	27765	48428	28207	36009	30521	27998	26106	34211	31655	49410	19309	42517	0	46593	48600	28868	47227	46773	38885	29803	34991	25104	30196	29400	0	27596	69101	Phytochemical	0.4	1.2	0.0
6	C19 H24 O7 N2	393.16562	393.16623	-0.119368285	393.1656	123708	139366	127550	134670	67024	60371	77418	133642	90368	232815	103254	81788	114598	34224	99351	142555	104967	98869	133684	209544	245706	231078	96754	158437	74286	57924	71320	81787	114907	116064	118376	134358	159489	114788	308563	127752	145503	90618	140755	167128	194370	65520	820	0	0	163062	177320	0	142924	113507	136822	129536	71894	0	119899	64045	50677	144689	95047	120972	141377	126051	107189	93092	41793	92235	79829	144299	77074	131410	137981	116523	112507	114179	69619	105545	0	80442	96689	84573	80169	90118	93954	94443	60056	56062	107228	77928	79201	150133	141556	185566	210899	133370	194234	0	134013	122117	45451	62307	62524	144445	82205	189440	93548	122807	57475	0	76172	137569	Phytochemical	0.36842105	1.2631578	0.10526316
8	C19 H24 O7 N2	393.16562	393.16617	-0.15651864	393.16556	201479	230023	182012	217348	93128	92595	143717	219302	118474	317627	157021	129893	152160	47391	158124	212201	154053	124071	182932	370703	363033	360636	165298	253938	134817	94777	150016	145277	190671	180066	177253	209046	233033	170238	447471	185777	251703	148527	193733	341447	310740	104584	1125	0	0	269331	253101	0	230512	182433	210215	208853	108324	282	167747	78528	76632	202971	156210	146521	211207	200477	136468	134749	75511	138221	108515	183290	114014	207667	200133	204902	178556	158930	132289	179617	0	126520	168506	153369	145885	147803	158753	170684	85920	77666	159839	112092	124177	225342	212434	320897	336859	199090	303259	587	214255	208049	88177	91246	83069	199953	118868	305234	127747	194818	92130	0	151179	161008	Phytochemical	0.36842105	1.2631578	0.10526316
4	C19 H24 O7 N2	393.16562	393.1663	-0.12947303	393.1656	39149	44724	41134	43147	27659	24916	22961	45026	32627	63316	33531	25587	47384	17419	32945	44869	42493	41584	42810	66461	73118	71959	36383	48343	27017	25234	24680	28378	34656	31449	35744	34655	44648	31110	86526	39227	44749	27754	54587	60324	65678	25558	0	0	0	51374	74867	0	43345	35614	38241	37310	27038	0	48879	26039	18107	38543	33786	38383	45122	42357	45305	33676	16115	37722	25117	49679	30595	38749	46117	32003	27324	34193	19905	30463	0	28730	37164	35871	32274	32308	31702	32403	32578	23282	37461	25342	27836	53822	46487	62272	61265	42538	64550	0	37344	47323	24186	28305	28894	40298	25324	63738	38584	36442	23223	0	27685	41568	Phytochemical	0.36842105	1.2631578	0.10526316
26	C24 H24 O5	393.16965	393.17007	-0.07660398	393.16962	16294	15894	12979	12575	15690	8763	3799	8370	10287	22891	33625	6430	20064	9235	6686	9304	7523	15629	16721	26559	30579	17179	7826	10814	7609	75879	4687	33819	7976	9408	11953	8678	8398	8624	26315	7379	10921	6876	7812	21677	38430	8644	0	0	0	19771	20012	0	9044	8642	13640	16540	12624	0	9969	9879	9140	10621	7910	6283	11570	18095	13153	9455	7759	14837	17579	7855	94466	50529	80735	9618	5722	0	0	8009	0	6496	17324	13532	8832	13793	8159	25080	14540	6281	12568	13801	8819	9178	9891	10819	12377	11249	12168	0	14381	16041	11457	16113	18069	7133	4678	9434	13881	8913	10701	0	7614	11558	Phytochemical	0.20833333	1.0	0.0
16	C24 H24 O5	393.16965	393.17004	-0.32477763	393.16953	9940	11415	9754	13501	6489	4343	10952	14205	8100	9390	11764	7678	5963	5346	11669	18560	15857	5862	10772	12368	15915	10864	10494	16213	9092	28717	9877	9168	15226	10573	10235	9488	9697	8689	13413	11766	8205	8242	20052	9180	17342	8036	0	0	0	9477	13352	0	17023	13353	11558	10020	4660	0	5175	6914	5570	11507	10777	16270	10886	6427	5528	5155	3465	6641	7668	20345	21067	27359	41760	11303	7874	10978	12037	13422	0	12623	15930	7741	11935	9390	8947	10761	5575	5242	13852	3771	7483	25109	9199	8126	0	7321	6328	0	10493	10310	5705	11065	8955	9032	9489	15479	5466	12881	6542	0	14432	8458	Phytochemical	0.20833333	1.0	0.0
18	C24 H24 O5	393.16965	393.17004	-0.23342553	393.16956	29015	27399	29514	24702	17563	9727	15609	26977	17227	26886	31805	16573	13439	14230	20806	27254	29237	20249	22764	39026	38095	22763	22222	26397	16733	73951	17843	23269	21196	19181	23473	21587	31883	17970	29383	18616	22338	15827	29356	26174	35620	11954	664	0	0	14881	27091	0	24158	21707	23047	32766	16005	0	16580	15562	13649	29064	16797	26181	28830	18795	16316	15719	11243	16300	15776	29567	59512	69074	106521	14937	15967	17480	23750	26952	0	12315	33343	20487	27853	22298	19484	22440	23178	17129	37389	15523	17343	34013	24754	23945	34920	18148	19775	0	28247	22219	21673	16705	20014	25214	17582	23245	10461	22943	16102	0	26505	15138	Phytochemical	0.20833333	1.0	0.0
24	C24 H24 O5	393.16965	393.17004	-0.11380756	393.16962	42163	47083	44487	50978	46299	23949	13170	30106	37425	68590	98796	16872	42176	30509	28021	31559	26070	38730	48754	85107	76804	50942	28278	38651	21580	262170	13891	90314	28192	24168	21632	24733	31416	21643	84154	25605	36136	21833	19650	71974	90398	31074	2139	0	0	50879	56616	0	28629	22979	42908	43752	39348	0	33860	27052	24376	28870	27030	20189	32914	48465	33250	28155	18433	50924	46451	25348	229748	153260	241844	24705	23827	19147	14896	23894	0	16859	41187	40244	29837	39109	27383	68234	43841	30467	42907	27058	29877	35866	28299	26089	43876	42174	42222	0	40158	42573	41340	37072	41034	35169	15574	41040	33804	33142	38204	0	27712	29478	Phytochemical	0.20833333	1.0	0.0
22	C24 H24 O5	393.16965	393.17007	-0.11457016	393.16962	62457	63058	55051	59791	58395	37411	28640	44081	48970	86224	115921	29366	45351	45875	31325	50951	38964	52340	57968	109367	100490	62038	38589	56230	34096	303812	25792	110588	35606	34638	34929	36081	46708	33683	100306	41120	46167	27363	41144	91355	120036	40617	0	0	0	56657	64391	0	43676	38866	55519	59759	42894	326	35809	42396	32523	47211	38591	37940	40677	66396	48820	39291	25449	55372	57249	39626	248850	228418	335731	43784	31360	27956	27011	33763	0	27979	56149	55519	44987	47410	36154	75965	52930	38181	55360	37401	36174	51161	49365	52812	67037	59094	70203	0	50611	60394	50919	52673	45217	43150	26632	54074	39925	42602	42278	0	38222	44861	Phytochemical	0.20833333	1.0	0.0
2	C18 H24 O6 N4	393.17685	393.17752	-0.20316775	393.1768	7108	7007	6749	6608	3507	0	5151	8145	3660	3856	5218	6151	3444	1861	5248	1893	11067	4122	6051	4093	5144	8249	6865	8025	3230	441	0	18702	8525	4741	7662	7070	8752	4254	5514	5968	8998	7075	12864	4454	5972	0	0	0	0	3843	4123	0	7412	4499	5860	6958	3658	0	5423	1594	2432	9553	3289	4708	2851	3152	4677	3613	2784	5338	4210	13610	1081	2447	2180	5311	5742	4141	686	4847	0	5229	7989	481270	6779	3214	3770	2712	2375	3071	8465	5668	5048	22297	14158	10563	16633	23591	877	0	7920	7501	2592	1790	2705	6673	5437	4289	3199	7154	2156	0	7674	4601	Peptide	0.33333334	1.3333334	0.22222222
6	C18 H24 O6 N4	393.17685	393.1774	-0.25250834	393.17676	11512	11703	10488	10001	2900	2468	7105	12106	3945	6741	4260	6580	3687	1823	11267	14889	11307	5721	7718	8073	10267	17156	8936	18465	9753	966	6702	5026	10625	9535	12392	11568	12435	12609	10188	12847	14710	8796	14817	6614	8853	4962	0	0	0	11183	7340	0	14823	11760	11264	9627	4671	0	5870	1953	3184	14019	9156	8040	15031	7121	4508	3382	2058	3868	6214	16677	0	2574	0	11565	9538	9608	6571	7692	0	7471	9088	18156	7144	5144	8424	5641	2960	3112	9426	5468	5965	22385	24712	19081	25133	7333	10504	0	10240	8321	2210	2593	1845	10804	6868	14800	0	12533	3242	0	8632	5948	Peptide	0.33333334	1.3333334	0.22222222
4	C18 H24 O6 N4	393.17685	393.1775	-0.23211718	393.17676	5719	6227	6170	4700	2368	2541	4126	5572	3114	2545	3089	3521	2714	1184	5584	7229	9210	3223	3311	5136	3898	9984	6439	0	4717	670	5030	3544	4128	5211	4389	5707	6474	3902	5704	6311	6465	5007	11013	4400	4657	2952	0	0	0	5264	5234	0	5100	5741	5104	5407	2706	0	4050	2149	2332	6873	3891	5109	6836	3045	2836	2691	2360	3047	3048	8917	1551	0	0	5332	4879	3535	1967	4428	0	3393	5837	28752	4472	3521	3126	3513	2199	3263	5490	3852	3055	12577	15999	10259	18235	5820	4978	0	5311	6670	2149	1653	1880	7267	3881	5901	0	7282	2052	0	4233	2090	Peptide	0.33333334	1.3333334	0.22222222
8	C18 H24 O6 N4	393.17685	393.17734	-0.2945108	393.17676	8492	10047	6477	8015	3952	3165	7243	10997	2558	6846	2301	6920	3377	1330	12008	14509	12321	3420	6086	6635	6680	13567	7887	14158	9691	836	6652	5125	10907	8253	8518	9579	11052	10981	9621	10125	11483	9505	10300	7699	6926	4455	0	0	0	9935	6952	0	11450	11355	7892	8606	5020	0	3644	2233	2747	9805	6579	8129	14117	3954	3928	3961	2177	4358	4592	12935	0	3809	0	11209	8628	7117	5457	9479	0	6528	9831	6023	8390	5925	10164	4359	1733	0	8501	4535	5179	17564	15098	17050	23320	5125	10726	0	11111	8603	2200	2509	0	11571	6902	11359	0	10513	2318	0	10974	3500	Peptide	0.33333334	1.3333334	0.22222222
18	C14 H25 O2 N8 S1 Na1	393.17917	393.17926	-0.04013488	393.17914	16543	14263	18090	19073	12040	10845	10402	16775	12459	33561	19514	8190	15207	6135	14349	13888	10930	18738	18822	47325	39238	12473	11021	16367	10261	51689	9580	17037	11420	14222	13834	15316	24471	10521	32556	8812	21162	10624	12233	24435	19520	8614	0	0	0	16228	9699	0	17142	16925	20916	20152	13667	0	16088	14178	6897	16319	13163	8749	20636	14495	16575	16810	4223	9538	12227	10884	39546	53231	46446	15515	12266	14056	13633	13292	0	9279	15089	9169	15605	9723	14156	14217	11635	7959	15453	9069	12457	13672	14869	14088	17917	6954	12303	0	19228	15746	11918	10914	8366	14678	8820	16699	4128	15227	4707	0	11861	14875	Peptide	0.14285715	1.7857143	0.5714286
20	C18 H29 O4 N2 S1 Na1	393.18185	393.18225	-0.18797512	393.18176	10631	13807	11934	13660	8659	8606	6491	11658	9259	23051	10279	4781	12545	3994	8406	13007	7068	11436	19871	28052	22264	13060	9934	5226	6321	20450	5101	12118	8010	10831	12070	9995	14924	12016	20336	9166	10534	7627	8168	13229	14132	5094	0	0	0	8214	7841	0	9527	7400	12934	12920	6079	0	8843	9210	4202	10349	6979	5286	13918	8527	11292	10491	2770	8788	5319	6703	16467	33862	23102	10553	7682	10492	7000	12214	0	8615	12351	5689	11036	5119	4204	13441	9292	5240	10329	7175	5512	10830	14682	11319	17459	5483	5302	0	12693	9044	7663	6069	8374	13365	6233	9334	5766	10839	3481	0	7636	12968	Organosulfur	0.22222222	1.6111112	0.11111111
22	C25 H28 O2 S1	393.18826	393.18893	-0.014058159	393.18826	0	0	0	0	0	0	0	2402	0	0	0	0	0	0	0	0	2312	0	0	0	0	1814	0	1446	2803	0	4543	0	0	6895	0	0	0	0	0	0	0	0	0	0	0	2386	0	0	0	0	0	0	0	0	0	0	0	0	1615	0	0	0	0	0	3500	0	0	0	3176	0	0	0	0	0	0	0	0	1040	24043	0	0	0	2085	0	0	0	0	0	1528	1932	2713	0	0	2615	3902	0	0	0	3368	0	0	0	0	0	1785	0	0	3569	1611	0	2611	0	0	1508	Organosulfur	0.08	1.12	0.0
24	C21 H28 O7	393.19077	393.19116	-0.10290857	393.19073	309384	300499	287395	321069	284594	252954	149195	294246	296690	503527	198761	155648	495082	178811	275592	268593	147744	451299	466779	495038	449130	313797	261255	314013	210993	312036	130587	206920	288345	250506	266700	264722	353818	258916	551306	296988	456915	243618	160390	318426	185771	169179	17319	5529	6882	261255	161212	5026	324486	232788	303767	284376	221418	6604	427500	283606	149327	305944	244305	99572	308384	203194	398112	300151	112654	361649	212287	149322	265307	625377	405608	293247	258644	279614	151114	258932	5751	232668	277101	126877	230702	152500	186751	178859	266918	159007	236522	151719	219733	180586	300974	336842	407029	149479	270969	5268	287544	285203	173151	297937	293138	287384	185765	304258	148842	268788	176335	6215	174440	444870	Lipid	0.33333334	1.3333334	0.0
14	C21 H28 O7	393.19077	393.19125	-0.17458786	393.1907	456597	455198	434832	469356	262100	213020	411946	1072406	315688	437218	315093	327740	305490	177327	776546	531727	526859	296999	344848	1145190	1069986	446882	399674	506669	773182	519168	397824	298022	851386	916834	869544	499759	1009652	664458	957304	471506	899956	367439	1075700	737516	427101	281358	14222	2594	2788	753570	400188	3086	986762	904912	442639	406082	275823	3197	369948	268410	246108	1091194	421741	439333	504102	240944	349099	314074	197992	290311	256741	1119552	439253	1195798	1282868	696936	780558	911514	487467	917324	1977	323459	498593	301652	451356	304340	862104	586922	345614	224917	516107	244022	284974	680018	378718	397101	1149900	262197	654108	6361	448900	438085	246599	369167	357616	454285	330092	981660	310454	897230	274751	3428	443124	284668	Lipid	0.33333334	1.3333334	0.0
26	C21 H28 O7	393.19077	393.19122	-0.09911312	393.19073	78525	69928	68573	66499	76667	56132	36438	88410	73144	96613	46793	47408	125002	47863	102445	82666	55515	102795	121845	121071	100593	70244	65584	91273	49258	76423	28115	45980	71223	72493	74604	83326	85315	68770	120988	83610	101863	53366	49814	77784	56201	49695	6111	0	0	55950	41246	0	79450	66865	71744	74065	64031	0	101144	73598	43574	89514	53234	30418	79570	45163	107882	77689	31408	86704	55093	52825	78380	142316	117945	70888	68623	79035	45662	66877	0	56243	71964	32237	62587	38438	48723	39938	76971	44543	65197	47107	55309	59473	74223	74423	103000	34780	66413	6407	72703	76290	48014	81338	82854	80499	46027	75186	37830	59722	46322	0	50556	106682	Lipid	0.33333334	1.3333334	0.0
28	C21 H28 O7	393.19077	393.19116	-0.17212082	393.1907	29665	27872	28892	27425	31848	21486	20036	32787	26709	45001	21070	17958	45226	19731	26778	36814	25023	36953	47418	45334	45253	26646	33016	37455	20412	38106	18813	23687	29061	31068	28668	29253	38878	29491	43777	34837	35583	20838	27162	25442	22328	24804	3415	3173	4302	22270	16306	2925	34078	29501	31832	25831	26567	3421	34115	28070	16308	38733	20806	10578	39310	15304	30234	28126	13994	40650	25620	24429	38637	63600	51119	26643	23477	31194	21416	29182	0	18874	32525	15568	21331	13462	21824	17998	27975	16447	33313	18476	21409	23445	36518	34868	36105	13744	22911	3764	27498	27695	16630	31223	32801	36331	20220	34547	13999	29934	17906	2940	18150	37885	Lipid	0.33333334	1.3333334	0.0
12	C21 H28 O7	393.19077	393.19125	-0.21056488	393.1907	200181	191565	188034	195524	75947	67332	183965	411538	108998	150196	112815	118540	80288	49485	258668	257027	203521	91563	135960	416476	353092	195657	134624	236656	131570	314510	197643	98554	326924	370044	292434	388448	157897	111148	317652	356938	161468	133361	219145	124363	175105	94989	4835	2061	2701	313758	195144	2495	383220	389878	184569	195676	81743	2353	139553	93916	77413	218795	139375	179620	255897	80602	121087	102188	55649	92685	76691	209270	174971	367480	415684	121286	133509	384606	231171	360100	1505	231806	174914	110688	149925	225034	288988	182242	129051	78200	178790	62037	85256	283389	156504	170381	212298	99886	313420	4879	187240	202510	93702	108451	117558	183718	107966	213472	86330	145776	91342	2094	139329	102444	Lipid	0.33333334	1.3333334	0.0
16	C21 H28 O7	393.19077	393.19122	-0.15009923	393.19073	917670	991206	971567	967749	683410	542776	821834	1088391	782393	1094576	727528	720002	766984	487647	853502	1154700	1002767	835777	1042270	2974484	1411161	1764600	942002	1138310	806525	1475771	706481	685517	928759	963194	1941478	1060257	1102649	1486170	2499522	1059877	2105684	795455	1146298	1865924	911836	639929	20390	5851	5037	1529626	692492	6921	1161817	2052306	1024247	1001777	688810	7422	874132	709103	535076	1152448	744977	766218	1077161	570164	874374	711640	424455	755913	643266	1003791	1151785	1747062	1713288	904358	876809	1019481	987773	1058111	4039	715048	1105695	574001	842138	612200	1820264	717375	813499	553716	1046579	599642	705835	1275803	880648	1934934	1329593	534174	734267	9819	1012571	997464	599826	790456	871002	1087549	656730	1012839	419502	1010621	671248	4926	875955	865556	Lipid	0.33333334	1.3333334	0.0
24	C18 H32 O7 S1	393.19415	393.194	-0.1677032	393.1941	0	0	0	0	0	0	0	0	0	0	0	0	0	1142	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	986	0	0	0	0	0	0	0	0	0	0	0	0	1570	0	0	0	0	0	0	0	0	1870	0	0	0	0	44714	0	0	0	0	0	1713	0	0	0	0	0	0	0	0	0	0	1349	0	0	0	0	0	0	0	0	4693	0	0	0	0	0	1083	0	2917	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.3888889	1.7777778	0.0
4	C20 H28 O6 N2	393.20203	393.20264	-0.21450272	393.20193	17390	19767	16675	17541	7030	8759	11984	24119	7148	24868	10674	10920	10500	4708	17105	24626	18145	10812	12712	29941	31694	28810	15994	27804	17423	21184	11874	10779	21966	15477	17874	19608	19997	15463	33516	20474	20999	12806	20341	27673	27808	8633	0	0	0	20291	19381	0	19988	18473	18966	16846	8245	0	15036	6052	5777	23030	7721	5768	21223	21510	8543	9887	4609	12684	9021	19339	17179	33208	33334	16812	14532	18684	13399	14883	0	14809	14514	13585	14467	9373	11240	18406	6255	7838	15028	9119	9584	21865	35964	30977	37888	13532	24605	0	16744	19811	4352	6489	6311	17932	10037	29088	13285	19588	7443	0	13857	10543	Lipid	0.3	1.4	0.1
6	C20 H28 O6 N2	393.20203	393.2026	-0.20741183	393.20193	44670	43984	45002	42628	16712	17731	37032	71037	16404	53869	21455	27161	22084	9417	36568	55043	62838	22015	32652	60360	62256	54203	32199	57678	36387	23243	34565	19952	54861	64165	68215	48882	56458	44570	66087	47038	56101	28749	68681	42200	36473	17064	0	0	0	35559	30735	0	91934	52155	44852	40643	18604	0	25692	11731	12474	57020	15048	11488	58228	29655	19085	18921	12179	23277	22884	93877	19005	44455	37988	66045	45006	37933	41333	40551	0	26959	25779	25876	24902	14305	18365	28359	11632	16598	34230	22550	24347	46389	57639	54878	78108	27764	48687	0	44639	39201	9477	11307	11514	54430	24309	57437	21377	47807	13227	0	30038	22080	Lipid	0.3	1.4	0.1
8	C20 H28 O6 N2	393.20203	393.20255	-0.2129952	393.20193	57879	53178	45602	53290	19481	23466	29492	61973	21509	65778	23342	30514	28920	13511	41910	55636	38502	26159	40706	95107	70027	75865	41151	74123	49626	21030	35457	36042	60933	50952	49252	60017	71234	50018	83504	59044	72276	35405	44759	71672	42966	27812	0	0	0	63737	42843	0	68363	55164	52899	52003	23987	0	32520	15372	15122	64181	15516	16056	50887	31516	22061	20237	12711	25064	28131	48605	19765	62907	37997	48535	49075	43735	39491	42197	0	34519	31940	41650	29728	18674	22392	39032	16803	15006	35735	22390	29268	66953	96931	72771	99914	40456	64627	0	52026	50371	16360	14530	11357	58748	29395	58683	20829	51852	14865	0	37297	27132	Lipid	0.3	1.4	0.1
20	C20 H28 O6 N2	393.20203	393.20236	-0.3305281	393.20187	19608	16860	19314	15956	12051	12814	19026	22398	5194	12292	3535	12095	6093	10712	14289	30779	24345	16437	13672	14301	9516	19804	15364	40845	17510	5055	13968	8726	25900	17595	21567	28682	29157	22024	14565	24660	37430	10743	28465	10370	9492	11367	0	0	0	12623	12155	0	28292	16970	17417	19539	10666	0	7476	3217	4608	28731	13487	9081	27338	9205	10124	7882	5902	10111	13212	32527	2606	14404	6317	19779	22050	20772	20683	21267	0	13143	13057	10722	10573	9172	13229	0	4634	4610	14480	13864	11346	40642	43255	29034	44303	10857	9832	0	15713	12774	6774	4601	6084	34215	13059	19006	7372	29254	7055	0	14098	13682	Lipid	0.3	1.4	0.1
10	C20 H28 O6 N2	393.20203	393.2025	-0.22465825	393.20193	49273	47419	46169	49196	22444	25063	30782	66317	18278	64739	31199	25959	23618	13844	37378	59297	39878	24848	38026	86153	76964	80985	37246	69088	46298	37583	36689	29859	53387	47406	48189	57919	66009	47255	92367	55795	73476	33614	47694	78155	50016	23885	0	0	0	56624	35613	0	58764	48603	48529	41567	25182	0	25584	11395	13106	68566	15358	23597	59297	29998	19463	22898	13781	24514	25541	44806	26141	62908	53770	51771	40612	47690	34009	43378	0	33252	34909	24113	31347	20024	25493	35599	12409	12375	39170	26076	25491	60263	63247	66826	94715	38319	61912	0	47812	44150	9945	10771	10593	60895	33135	61498	15916	58749	14745	0	37784	22705	Lipid	0.3	1.4	0.1
22	C25 H28 O4	393.20602	393.20642	-0.21276052	393.20596	70462	78935	67544	66567	69133	39881	47649	72820	53070	54637	76531	52938	32608	39459	59163	78615	95299	56775	62898	98194	88991	63520	62395	74379	55786	205541	53304	71543	66652	64929	57594	78909	77129	58407	65237	72323	71237	57796	85861	72043	102015	47257	0	0	0	52565	65505	0	61300	70233	69573	64069	61765	408	46968	46299	45178	78083	46361	59383	82351	49338	43477	39726	33801	49054	59460	95326	159450	140890	232242	47141	47669	58096	67810	59965	0	49900	86269	48845	63021	40629	52530	60513	68762	45783	91026	50666	54564	108863	68935	62672	88191	59919	58760	0	59160	59627	46972	59043	59943	90653	52237	83430	39279	71090	53881	0	64777	50688	Phytochemical	0.16	1.12	0.0
24	C25 H28 O4	393.20602	393.2064	-0.15984315	393.20596	77959	83524	77336	84985	85181	41921	42302	83309	62853	82380	113194	52773	64344	48106	66817	102449	78512	62725	88179	112017	108941	77162	70048	99868	60129	311449	43048	108851	74186	73333	68650	74221	83766	69661	99370	77939	89244	52380	78409	96587	136406	52787	2020	0	0	70334	80978	0	70880	71826	76109	75453	73062	0	58631	54197	46028	81021	56813	58196	90895	67672	54912	54629	30121	81287	74209	87411	263533	203546	292880	62592	62856	67764	59915	77582	0	53873	80304	71662	66100	47422	54534	82935	67765	52911	100139	60366	72781	95417	63457	64211	112692	68441	75179	0	70709	80880	51021	58729	62775	98093	47527	107090	42709	78714	54996	0	74671	54661	Phytochemical	0.16	1.12	0.0
28	C25 H28 O4	393.20602	393.20648	-0.10589682	393.206	6833	6266	5657	5766	7724	2922	4569	7362	3852	4887	7240	3430	8104	3060	4649	7827	6423	5493	9338	8024	7620	6438	9272	8039	5816	21925	3802	9308	6338	7842	7289	6380	9312	4352	7625	10617	6742	5495	6369	6181	7583	5150	0	0	0	7043	5342	0	6196	8131	6589	6176	6789	0	4976	5464	4603	7688	4711	3595	8286	3783	4820	3432	3343	9225	10172	7366	19521	10702	17995	6302	4502	6354	3549	6826	0	4356	8909	7782	5013	5389	4624	6975	8303	2820	12000	4591	5344	9572	5503	6136	10520	6294	4764	0	8242	5385	4629	12123	10154	8624	4998	6133	4190	6518	5467	0	4835	3501	Phytochemical	0.16	1.12	0.0
26	C25 H28 O4	393.20602	393.20648	-0.109766535	393.206	43218	44922	39835	40227	42251	22539	20305	51060	32921	31565	72332	26553	35814	27743	34303	46057	32852	28504	53294	72884	62845	46774	34034	49884	37329	193132	21298	82786	40558	45133	41832	40883	43363	33745	52170	52590	45318	23793	30475	51681	79083	32539	0	0	0	44283	52377	0	44122	38557	43858	37496	37299	0	32679	30248	22830	39264	28131	27118	46082	40635	37690	27304	16972	46857	55652	42330	177553	95067	142363	32090	34944	38225	27548	42389	0	23780	46468	44199	36739	29249	37223	54405	36496	31537	52686	33877	37144	41501	32087	33762	55295	39206	31177	0	46219	51781	33213	40429	44262	53768	23767	51451	31395	39621	38522	0	40674	27131	Phytochemical	0.16	1.12	0.0
6	C19 H28 O5 N4	393.21326	393.21378	-0.23655687	393.21317	4065	4681	4060	3725	1217	2958	1321	2417	0	1591	2173	1369	0	1142	2676	4318	2771	1278	1380	1775	2403	2768	1795	4117	3093	0	1986	33111	2421	1468	3159	2104	3443	3102	1688	2725	4055	2070	3553	0	1282	2354	0	0	0	0	0	0	3111	2926	3450	2845	1322	0	968	0	743	3757	0	0	1876	0	669	0	0	829	1029	3187	0	0	0	2606	1786	1855	1361	2071	0	1148	1242	131411	1399	0	670	0	633	0	2713	1284	1719	5854	124512	43182	7098	10629	2619	0	3855	4365	1149	0	0	3670	1433	2322	0	2762	451	0	1769	0	Peptide	0.2631579	1.4736842	0.21052632
8	C19 H28 O5 N4	393.21326	393.21362	-0.37087554	393.2131	3763	5264	3796	6710	746	3685	1976	2890	0	0	3293	1312	0	0	1670	4068	2491	0	866	0	865	1600	1367	2937	2891	0	0	31461	2701	2462	1995	3508	1775	2663	1214	0	2188	1461	3742	2042	0	1431	0	0	0	2744	0	0	2626	2546	4589	4778	0	0	0	0	557	3073	0	1020	0	0	0	0	0	0	973	3110	0	0	0	3629	1560	1947	1844	1485	0	1443	2341	324086	1489	0	1075	0	0	0	2304	1086	0	5145	244433	57742	4457	15446	4781	0	5520	4009	0	0	0	2253	1232	2337	0	2772	0	0	1696	0	Peptide	0.2631579	1.4736842	0.21052632
12	C19 H28 O5 N4	393.21326	393.2136	0.06668217	393.2133	0	0	2339	1879	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1269	1476	0	0	0	0	0	0	0	0	1575	1412	0	0	0	0	0	0	0	0	0	0	2068	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1282	0	0	0	0	3935	0	0	0	0	0	0	0	0	78424	0	0	0	0	0	0	0	0	0	0	49196	4253	0	7512	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2631579	1.4736842	0.21052632
4	C19 H28 O5 N4	393.21326	393.2139	-0.059638795	393.21323	2271	1844	1636	1614	462	1237	1487	1758	603	0	0	668	0	0	1232	2132	2084	481	946	0	0	1085	1544	2470	1556	0	0	7523	1799	1350	1303	1418	2183	1809	1136	2375	2506	1767	1606	0	0	982	0	0	0	0	0	0	2277	1592	2000	1277	627	0	548	288	582	2554	358	0	2635	1006	379	496	0	752	558	1596	0	0	0	1558	973	1572	1265	854	0	932	1817	38413	1522	570	729	0	0	580	1951	624	928	3727	23354	8885	3891	1922	0	0	1463	1831	0	0	0	1826	1075	1836	0	2081	500	0	1744	488	Peptide	0.2631579	1.4736842	0.21052632
10	C19 H28 O5 N4	393.21326	393.21362	-0.28941	393.21313	4970	6054	4446	4112	0	2649	3270	3293	0	2170	3641	2100	0	0	1061	4601	1368	0	0	0	0	0	949	2627	1834	0	2341	41080	1987	0	1545	3935	3635	1890	0	1166	3801	1730	2961	5148	0	1385	0	0	0	4833	0	0	4590	2337	4131	3546	1363	0	0	0	983	3640	0	0	0	0	0	0	0	0	0	1920	0	0	0	1122	1621	1714	0	1693	0	1291	0	406649	0	0	0	0	0	839	2331	0	800	3758	230750	37090	2012	19674	3853	0	5199	4122	0	0	0	3690	1466	0	0	3203	0	0	2831	1370	Peptide	0.2631579	1.4736842	0.21052632
18	C19 H33 O3 N2 S1 Na1	393.21823	393.21854	-0.39258742	393.21808	7455	18220	17937	7665	8193	6633	8450	8253	9513	10974	14019	7071	0	6693	7497	16813	14427	5094	7956	8313	0	6681	5073	14160	10581	25587	10200	9309	0	9615	8100	9258	17622	0	11331	8883	8760	12627	24840	0	11460	12834	0	0	0	3678	0	0	8883	9510	7584	9849	8571	0	8390	10005	4989	19536	7623	8877	10533	4212	9318	0	5823	12333	8205	18570	14091	15879	20331	6981	4092	7800	15060	0	0	0	24852	0	0	3666	5765	5304	14356	7113	14547	5274	0	11250	0	18183	10866	0	7437	0	5277	9672	8652	5922	10002	9390	4863	13326	4011	8805	6609	0	10335	5784	Organosulfur	0.15789473	1.7368422	0.10526316
22	C19 H33 O3 N2 S1 Na1	393.21823	393.2186	-0.22051403	393.21814	7080	8087	7804	11593	10378	7092	4530	4805	6114	15671	9784	6089	6269	7562	5061	8704	7648	10337	11803	19414	27758	11494	5680	7007	7745	18892	4608	12581	11298	8945	7328	5322	12093	8470	12918	10522	13670	5609	9545	13944	11314	4550	0	0	0	4644	7406	0	6987	9233	9429	11853	9409	0	9801	6589	3847	12009	7554	5365	11608	6858	8282	10029	2845	8197	5547	9612	17485	22280	19206	6902	7656	5905	3852	7943	0	5492	6470	3422	4091	4291	6102	5587	6703	6667	8806	5101	7617	6898	15311	7712	6160	3686	12041	0	7173	7991	6697	7419	7648	10887	7015	9371	4269	9773	5237	0	4997	8645	Organosulfur	0.15789473	1.7368422	0.10526316
2	C17 H32 O8 N2	393.22314	393.22382	-0.099781446	393.2231	1224	1411	2144	2030	1414	0	0	1781	882	520	0	660	3974	1278	747	835	0	3981	1405	428	0	605	514	1963	588	0	0	19083	2826	1756	1719	3147	1260	3282	674	2646	2491	895	779	0	0	0	0	0	0	362	0	0	2644	1175	2100	1925	1071	0	1752	246	405	2432	293	0	846	0	1233	690	0	4510	423	664	0	0	0	4992	3767	1715	389	1497	0	1253	871	72052	0	0	0	0	396	552	1411	1548	1070	1332	25575	3052	1926	377	408	0	0	1415	0	323	381	1388	649	0	0	1418	535	0	836	2905	Lipid	0.47058824	1.882353	0.11764706
24	C22 H32 O6	393.22717	393.22754	-0.12833343	393.2271	547215	546189	539652	550109	531489	419361	427547	467497	506521	780096	438550	241043	677934	401362	423443	505904	343449	751513	991731	989838	854804	522897	364226	447473	421161	639503	372640	501692	579020	467498	465704	581899	770070	478262	985488	593478	884162	360099	378145	602707	370848	346635	16346	2551	0	434497	263453	3228	604702	357899	530879	519325	467973	4947	769165	487291	290747	602411	481135	225268	528903	386255	635209	494243	235392	646231	511233	374448	488076	1073204	665101	433374	449132	508093	383869	492905	0	338133	402153	276028	298497	286686	489478	391720	486831	356145	462737	327708	520264	350120	739813	774234	654025	314337	519778	4345	547620	563211	311188	444321	465398	712619	271290	611943	333014	472982	359562	3912	336642	647269	Lipid	0.27272728	1.4545455	0.0
12	C22 H32 O6	393.22717	393.22763	-0.20611261	393.22708	11952	11297	11698	14346	2747	2363	9596	8045	3156	2515	7071	5778	2438	3258	4818	18620	17946	2385	4491	5832	2146	5700	3000	11481	6156	2199	18706	0	7466	12001	8209	13624	6251	11315	4873	9090	8927	5937	18474	3966	6802	5964	0	346	325	2696	7545	0	10752	12389	8917	8046	2893	269	6375	5167	3703	13307	0	0	0	0	1601	2909	3899	2636	3871	16956	0	1638	3870	7580	9952	10722	22585	14327	0	6592	8634	0	7620	3205	4518	1853	8495	3076	9620	2948	3793	15376	8783	5343	7743	0	6385	486	7074	12240	3321	9052	11000	10144	3407	7681	0	5556	4871	0	9419	1256	Lipid	0.27272728	1.4545455	0.0
16	C22 H32 O6	393.22717	393.22757	-0.2362113	393.22708	81753	68509	79063	75022	56767	35430	82313	80795	50095	46095	37340	58270	52535	41736	66518	94915	144802	50807	82519	55436	60404	60750	60952	59771	62482	62941	98674	34635	86852	87159	72307	96760	89472	57083	52195	95774	73504	65749	154160	29018	48305	51713	3131	724	486	37121	47704	893	94073	70266	79323	85917	50754	613	63105	67245	54199	99163	41350	68966	83521	23009	53420	58321	45656	58065	65685	143782	44786	54939	78730	54336	65202	102994	141397	100579	904	54230	97291	53715	64094	38299	72086	53713	87293	58715	116187	43636	57665	185302	73989	72689	105547	38123	50674	1427	80141	78060	47879	98461	105791	96336	49567	72424	27351	73137	68047	978	78671	47744	Lipid	0.27272728	1.4545455	0.0
22	C22 H32 O6	393.22717	393.22754	-0.16000096	393.2271	690708	690777	644644	683987	632942	539367	692691	635010	635788	881953	540527	379421	567327	507767	527613	695276	624837	836633	940341	1105814	1042592	634020	466632	559806	582460	853976	637172	587744	775762	615274	568109	738234	959373	636222	956964	762695	934366	486545	677732	617889	499723	477607	23179	0	1993	475709	401037	4926	721549	537057	705591	656405	609277	5098	796756	635794	399243	761714	498374	349437	689348	400061	714577	596100	366370	683527	618512	663261	639486	1179453	941375	493812	534340	621673	606592	635933	1804	435151	578343	351809	420938	336413	696600	560736	653066	499874	682505	480258	600015	603333	814271	846045	687194	405521	589829	5770	579695	702956	456079	697207	622772	923348	410371	707951	368341	585943	532652	4770	474330	705687	Lipid	0.27272728	1.4545455	0.0
14	C22 H32 O6	393.22717	393.22763	-0.23988502	393.22708	30375	22716	27677	27322	17106	10713	41137	26649	15795	13474	15280	22406	12813	13713	23995	35313	60548	15103	17975	16050	22583	25985	24806	21008	23841	15961	38524	16023	27729	32419	26398	26415	27180	16167	13798	31877	20540	24327	59380	9523	17589	17790	0	486	273	16856	20297	0	30020	27028	29218	22791	16145	272	24938	23049	18052	35154	11925	26666	28076	2929	15523	17234	15940	12702	15413	62444	0	16811	17147	15364	20936	34424	45827	28962	269	20222	40488	19580	26586	11831	30135	14060	29026	21129	41268	14399	18339	72949	18657	21187	28046	17262	13586	669	30730	26608	14744	35894	34169	29597	19362	22214	0	31140	20526	0	32758	13247	Lipid	0.27272728	1.4545455	0.0
28	C22 H32 O6	393.22717	393.22754	-0.1546461	393.2271	20687	19079	21717	19672	21773	13245	28538	17415	17315	16101	12619	10535	25675	16549	12841	23594	21011	20553	33846	24268	21576	16072	14061	20079	17703	24674	30289	16519	25180	22100	20513	22067	30978	19994	24261	26933	25192	13274	20987	16081	15022	17592	2111	0	0	14336	10983	1677	22009	16224	21192	17695	19036	0	28116	17766	10826	25540	17315	9942	23212	10386	21543	15412	15212	28242	18959	29292	16823	27767	30374	13225	20294	20085	16680	17460	0	12075	23368	12714	13923	10508	20719	15924	22066	15402	30193	13687	15428	22459	28803	29204	27358	9595	14519	1213	20554	19363	12357	26036	24240	35471	12384	18448	15668	17080	14007	1558	13054	15758	Lipid	0.27272728	1.4545455	0.0
26	C22 H32 O6	393.22717	393.2276	-0.087477215	393.22714	149748	136869	145189	143101	143099	113188	113061	157216	155320	167126	110570	77997	204598	110357	133438	140438	145555	229383	291061	249394	218111	201473	95786	140501	177802	149360	95064	142500	188232	143810	144646	159933	212552	123496	259949	191527	258637	107709	164990	167045	97095	109361	5329	0	0	137086	72833	0	150328	112615	149432	147541	135567	0	217484	166141	86889	172096	153698	63151	163317	109440	188359	136135	70312	188848	168847	129674	151001	280898	174131	118681	122343	157152	95530	153842	0	95442	122881	73414	89480	80318	139055	111676	141576	103184	139544	89952	127141	103091	244676	274800	272562	100505	164663	0	146835	165130	95875	143793	155092	201472	75673	177540	126003	126870	100659	0	103638	188568	Lipid	0.27272728	1.4545455	0.0
20	C22 H32 O6	393.22717	393.22757	-0.16547394	393.2271	430191	452790	449917	407921	395327	288169	483109	394911	346927	417889	323667	298384	406902	303382	371206	499407	588672	418285	606240	511005	528271	359856	294387	391696	341720	508612	470857	313238	474984	420765	343956	468527	556804	373132	429134	456731	537976	308048	588816	305308	323358	332832	13622	2362	1445	246926	268948	1919	476729	322747	434925	409058	370505	3219	449052	401746	282730	488330	297863	282886	427640	210556	384104	373036	256296	415515	359812	574331	364506	561746	596843	302039	365314	408816	571831	407533	1389	318327	444081	274537	288277	188937	541917	418378	454583	320919	538888	325065	381927	523771	460199	423212	467731	257449	306853	3880	431889	430202	290239	475292	511568	619124	306188	436954	220203	371748	347002	2582	341260	444555	Lipid	0.27272728	1.4545455	0.0
10	C21 H32 O5 N2	393.2384	393.2389	-0.20264272	393.2383	4239	7881	6113	6533	6394	7902	3778	8931	2391	3605	2359	3023	1311	7403	4538	13333	5103	2920	4272	6081	7342	7280	5255	14232	7985	1345	4594	0	9845	5980	5593	8717	11550	5932	8211	6125	10292	5879	8001	4800	1727	17930	0	0	0	5376	3809	0	10329	6072	6344	4382	7847	0	3226	956	7229	16220	0	0	12103	1526	1383	3906	2667	6273	22332	9198	0	4563	3884	6784	5718	5739	4764	6714	0	4236	3850	0	3490	0	792	4213	1427	1364	6568	2558	5411	19133	18201	3430	19308	2037	6532	0	6654	4949	1650	824	1164	8121	3455	4706	0	7384	2379	0	6900	3079	Lipid	0.23809524	1.5238096	0.0952381
6	C21 H32 O5 N2	393.2384	393.23892	-0.1797692	393.23834	8433	8314	6720	6175	1069	1342	11422	31170	739	6576	4758	55373	0	705	10537	24579	6283	1132	1477	7294	7825	6071	4637	10509	6847	1701	15280	4075	14006	23188	30750	9567	9607	7762	6596	9454	10583	10548	7932	3710	1403	1600	0	0	0	3697	3322	0	32001	24656	8951	7985	1259	0	1252	629	1144	21957	0	0	19452	2306	0	1604	736	0	3025	8749	2009	4655	0	12091	5277	6271	7208	7793	0	38733	2797	0	2675	414	683	2689	0	0	4441	1764	3349	15479	9255	3067	14930	2836	5452	0	10684	7728	618	0	0	9432	39678	10195	0	18620	0	0	4361	0	Lipid	0.23809524	1.5238096	0.0952381
8	C21 H32 O5 N2	393.2384	393.2389	-0.2046497	393.2383	5607	7384	6065	5954	1720	3988	5897	10775	1247	5296	1554	10442	1195	1185	4771	13352	7182	1592	1384	8985	6609	6894	4742	9451	8532	2987	10075	3061	11370	8258	6739	11889	8209	7725	6876	8984	9094	4457	8007	6476	2890	2204	0	0	0	6307	2654	0	9447	7945	6852	7546	2439	0	1487	543	2572	15503	0	0	9545	1649	0	3011	2733	2507	3848	8692	0	7021	3974	7326	5779	5725	5972	6806	0	10410	4624	3378	4182	486	605	3751	0	0	7574	1461	4553	21763	14803	0	18658	3206	8334	0	7320	3229	0	571	0	6236	9718	7798	0	6573	0	0	6369	958	Lipid	0.23809524	1.5238096	0.0952381
26	C26 H32 O3	393.24243	393.24283	-0.15880954	393.24237	39862	39976	40224	39467	57709	20992	31300	52656	40337	17914	56107	31715	26552	27360	39615	65008	68982	30333	57809	42253	41790	33695	37211	51598	45266	130642	34118	47662	52303	59576	45568	52536	60374	36063	33005	61212	48715	34673	63917	36434	49252	39536	0	0	0	31937	26989	0	49653	53223	39233	38723	44918	0	39978	38054	30412	77905	27186	26160	45877	24030	23624	28291	20052	36500	49962	82693	103209	58772	85792	32584	34979	53626	44161	52276	0	32806	51174	46682	33231	35144	36034	40263	54835	36345	66981	34734	34266	49601	30427	26636	45936	44044	26441	0	38863	51707	34978	55799	62965	77643	30675	52102	24487	44266	43749	0	43395	26049	Phytochemical	0.115384616	1.2307693	0.0
20	C26 H32 O3	393.24243	393.2428	-0.28822675	393.2423	4807	8927	8487	6192	7010	1956	12440	8017	6251	3655	6751	9993	3449	2658	7764	14824	32211	2271	7017	2735	2970	4579	4310	4834	9659	6862	11857	5747	4262	13248	6880	4770	6072	5302	4036	10425	6012	9801	27585	0	7982	5011	0	0	420	4501	5672	0	7092	9272	5318	6729	6384	544	3407	5750	7435	8729	4271	14373	5765	1647	3491	4698	6138	0	3793	27951	5026	7074	16084	2735	3438	9904	20452	10335	0	4085	11867	2866	8788	2308	7173	0	10979	4865	17971	5397	4974	22067	5040	4382	9147	3765	3207	0	6110	10020	5978	12965	12699	8418	4954	6927	0	5681	11611	0	11235	3285	Phytochemical	0.115384616	1.2307693	0.0
28	C26 H32 O3	393.24243	393.24283	-0.20521519	393.24234	11810	10818	10569	10115	14491	3687	11452	13606	8974	5670	13074	9298	8813	7785	7924	12053	12337	7923	14623	9582	7983	9324	9222	10840	14287	33706	11090	15414	15324	17164	13087	14451	12386	9368	7615	17481	12186	9007	12484	8605	9440	7553	0	0	0	7787	3977	0	11491	14065	9734	10986	13802	0	10055	9273	6943	14345	9454	6084	13288	6009	5167	9252	6109	10457	14688	15207	28004	12012	14734	10283	8751	17371	8016	12633	0	5711	18282	15133	7872	11077	9872	10039	15408	8650	27943	7870	5158	14837	8304	8094	13054	14556	5728	0	11512	10486	9499	17205	22437	22318	6721	14783	7959	12231	15693	0	12695	5343	Phytochemical	0.115384616	1.2307693	0.0
4	C20 H32 O4 N4	393.24963	393.24976	-0.4093859	393.24948	0	0	0	0	0	993	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4935	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	260	0	0	0	0	0	0	0	29402	0	0	0	0	0	0	0	0	0	0	16068	1596	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	242	0	Peptide	0.2	1.6	0.2
24	C23 H36 O5	393.26355	393.26395	-0.15289444	393.2635	137810	133099	141791	134303	121200	80888	576535	105550	97144	96205	104968	72231	111982	167791	89430	154689	177698	118481	200340	126557	106160	84579	66019	68658	110271	160677	535621	134975	150869	137271	108809	157517	186132	125534	123593	171982	164557	89362	172595	91122	105455	81365	13762	16809	12930	70172	73243	19810	164400	94654	139230	133326	119585	13245	133132	119129	81030	164504	103418	89367	147974	71588	139340	86969	119962	173441	196214	178275	74616	103932	123577	83831	109711	139839	149578	141824	8399	77721	101885	113365	61545	89026	270715	217117	131372	112058	195200	94989	145593	172700	209394	187410	114441	76130	105450	21828	144622	154583	87896	127890	140874	212550	71398	166169	120626	101269	105675	19393	107759	108059	Lipid	0.2173913	1.5652174	0.0
28	C23 H36 O5	393.26355	393.26404	0.04268078	393.26358	34656	30821	32595	33627	18420	12714	83627	40689	18028	18071	26061	25077	18405	19470	24479	46134	35133	16994	37973	48414	29440	18197	13811	14000	30838	21054	66588	41572	121289	98655	62361	88422	92490	68563	35452	92055	48660	26666	36774	24281	25607	23376	7953	12943	6021	20583	30415	10060	140447	31842	33237	30251	20975	7045	28605	24326	16351	61523	53576	47712	43128	24532	17712	21413	30130	31071	44894	43454	14986	21166	14690	30334	50150	38452	94863	68221	6301	23579	18784	23948	12660	28524	47668	27035	27442	18506	42922	15713	47292	17888	45851	43782	18749	20330	12425	12949	31097	32554	14521	26402	30775	93844	28081	155812	49765	21200	19696	9984	20651	12858	Lipid	0.2173913	1.5652174	0.0
26	C23 H36 O5	393.26355	393.264	-0.0505703	393.26352	153577	135526	144948	133413	121330	81237	415600	112151	113695	95533	123318	61766	117948	136019	124598	125963	138401	118620	209775	129760	120194	152251	75752	62404	213994	128536	377815	190642	167121	127292	107151	162637	216596	127267	152098	184156	183727	113799	150090	116968	106694	103390	12571	13927	0	101783	74286	11397	141632	77226	142601	146766	113018	10898	150180	122911	100668	193522	209145	94808	144453	144691	118994	96788	121385	171692	214161	166945	81894	123640	106234	76728	104490	164627	102069	130460	0	73312	182135	200847	55076	115952	226954	163534	153139	138673	546820	105798	137538	200584	383403	391070	148724	171445	192854	18521	148754	160881	84624	147162	164960	255643	61772	193111	222531	106422	113836	19083	226096	90047	Lipid	0.2173913	1.5652174	0.0
22	C23 H36 O5	393.26355	393.26392	-0.19401924	393.2635	57828	57404	57351	51798	47826	35385	242060	50194	39452	31592	36362	35963	34754	63980	49610	67973	109250	43263	62035	27048	27320	33891	32961	42012	54725	60456	213913	53849	66391	62851	43792	69247	71287	52101	34709	69822	65024	44596	108802	15141	33077	43175	21906	25974	8453	23828	27916	26251	64923	39988	59881	55092	55704	8172	50647	53500	40202	71377	29177	44519	56304	14766	52773	34349	49554	69791	74645	114759	23843	28590	43507	30966	47036	65982	93162	58164	8416	29803	51763	48424	28585	30986	157042	140370	75928	54179	85481	40825	55635	108967	73800	61782	49703	31336	30644	27795	55099	60740	39331	72111	77260	78222	34702	51211	30663	56144	57040	30828	58061	37866	Lipid	0.2173913	1.5652174	0.0
22	C27 H36 O2	393.2788	393.2791	-0.21194895	393.27872	0	3121	2807	4672	0	0	6424	4379	1583	0	0	4392	0	0	3552	8288	28771	0	2631	0	0	0	3044	0	4428	0	4898	0	4108	5957	3517	6692	4718	2543	0	8260	1926	6418	29621	0	0	1637	0	0	0	0	0	0	6287	3986	1815	4207	0	0	0	0	2785	4164	1570	2899	3816	0	1695	0	1938	0	2058	33121	1419	0	0	0	2403	5672	15905	5676	0	3327	4698	1816	3513	0	1237	0	3347	5272	12296	1072	1486	35957	0	0	0	0	0	0	0	4669	1528	3952	3798	4075	4286	1956	0	2115	3360	0	9335	0	Lipid	0.074074075	1.3333334	0.0
24	C27 H36 O2	393.2788	393.27917	-0.22842601	393.27872	11012	12695	13860	14064	7854	2344	15871	17217	7998	1604	7559	14650	2336	6186	13903	25622	62956	2934	7986	2619	2147	2148	9650	9916	15766	3913	16073	5348	20388	27449	16447	23126	13155	10073	1391	31313	9704	19307	67534	1157	5203	5273	0	0	0	1833	4679	0	17579	26153	9910	13358	5555	0	8680	8918	11909	22740	2780	9809	17104	2161	3420	1941	8610	4447	9697	64399	1380	0	4813	4828	9215	29498	40763	27681	0	12097	28523	6349	17376	3941	6200	3012	20646	9324	46200	8548	10654	65453	7263	7275	7349	2862	2296	0	13842	10767	10562	14639	14982	22053	12634	10912	2146	12095	9686	0	21000	1302	Lipid	0.074074075	1.3333334	0.0
28	C27 H36 O2	393.2788	393.27917	-0.1827295	393.27875	7259	7874	6724	8312	7926	3151	16401	13881	6257	1321	4947	8130	1715	4298	6980	14880	22694	2357	6946	0	0	3165	6846	7367	15062	6672	12051	5128	14922	25232	14579	14090	11644	7030	2552	24289	8504	11585	20839	2308	1990	7488	0	0	0	2477	0	0	9196	15732	7013	8394	7718	0	4737	5336	6283	16370	4703	4916	9303	1694	1680	3940	6625	5221	4228	25323	4880	2015	2339	3247	6865	22364	11270	16310	0	7436	14856	7277	8315	3937	5136	4360	20553	8457	33279	3776	6331	23586	4562	5334	8228	3831	0	0	7701	6534	6947	17410	20451	19119	10263	6372	4583	9016	15084	0	12532	1718	Lipid	0.074074075	1.3333334	0.0
26	C27 H36 O2	393.2788	393.27917	-0.24011762	393.27872	17452	18945	16397	19714	16564	4950	23507	32332	13060	2654	10097	24430	6865	9683	24851	33070	66072	0	19033	0	0	6247	18738	14503	28444	13504	29806	11502	29626	59056	32166	34908	25097	17122	2989	51513	19627	28797	69692	4992	6870	11078	0	0	0	7043	0	0	27135	46583	17730	16051	16718	0	14423	18769	15740	29072	8608	11208	24033	3679	6310	8830	11395	6720	11898	80621	10086	6475	8389	11066	20068	53178	54709	41492	0	18810	32719	11346	19468	9575	15234	6453	23202	21804	71767	11981	16817	67498	11417	9094	17842	8736	0	0	19444	17906	15340	23707	26645	37178	19201	15787	6600	19819	23405	0	35865	2656	Lipid	0.074074075	1.3333334	0.0
22	C24 H40 O4	393.29993	393.3002	-0.21041225	393.29987	2078	2048	0	0	0	0	20141	0	0	0	0	0	0	0	1185	0	7296	0	0	0	0	0	0	0	2331	0	18419	2643	2111	0	0	0	0	0	0	1533	0	0	5965	0	0	1848	0	0	0	0	0	0	3292	1114	1963	0	0	0	0	0	0	1475	0	0	0	0	0	0	2108	0	2246	7553	0	0	0	0	1184	0	6861	0	0	0	0	0	0	1167	5876	6542	0	0	2374	0	2027	11911	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1229	0	0	0	Lipid	0.16666667	1.6666666	0.0
26	C24 H40 O4	393.29993	393.30032	-0.18640818	393.29987	37503	36555	34137	34737	10240	11838	662910	27600	7718	9832	54515	31054	5197	139570	25573	91694	43672	0	11509	14003	9979	12217	11331	9175	14513	65817	690376	80661	26534	44755	13302	23592	16057	16218	8578	43802	16189	43423	46050	14056	42107	27794	6774	0	0	13802	16896	0	31152	73275	36965	39607	18994	0	8997	15223	33115	35016	24134	51735	69759	23918	55025	7712	113173	24628	47211	50800	39534	22240	28561	11045	14152	39117	38951	33825	0	17719	20122	73009	11948	50565	88072	97826	8285	17932	50059	11980	22531	53327	58320	40055	18394	23937	17616	0	38307	38209	27670	7504	11948	28143	25397	53136	53003	14081	8079	0	24779	16851	Lipid	0.16666667	1.6666666	0.0
28	C24 H40 O4	393.29993	393.30032	-0.18734533	393.29987	13561	10386	12607	13317	5936	7775	202951	12133	5527	6834	26914	5939	5255	34788	7081	11884	14792	6434	6645	8903	6304	6352	7209	5594	13358	25222	154850	61869	11681	15329	9415	11578	8126	8654	5901	15327	6786	11224	14637	6185	12825	10278	4648	3639	7165	9110	8140	4913	9849	13550	15298	10141	10046	10552	7903	10601	9360	10276	18079	12533	21108	14902	16612	4514	32559	10852	20076	12167	21498	8663	8932	5428	5942	13576	7254	7801	9699	6009	10795	38936	9660	17031	21482	24538	8230	10375	22133	5663	7976	12037	34111	20958	9041	16258	8311	4692	11937	11647	11959	6575	11683	12116	7318	24110	25997	8910	6618	4011	11122	4563	Lipid	0.16666667	1.6666666	0.0
24	C24 H40 O4	393.29993	393.30026	-0.22790378	393.29984	11419	12772	15196	12816	4054	4241	198750	13077	0	2115	9546	6154	1420	41007	5147	19758	26659	1303	5282	2401	1713	1691	0	3865	6045	21570	211411	27537	10933	11520	6304	11887	3258	5018	1959	13553	5710	4614	25035	1294	8063	7949	0	0	0	1970	4887	0	10972	10905	11948	12338	29783	0	0	4662	7975	12099	3244	12895	31020	4386	13049	1477	36917	14496	21015	20013	5345	4177	5646	2100	6203	11934	16268	13672	0	3505	6771	17527	4547	11440	34478	47311	1900	4080	23501	3850	11652	38659	19363	12519	5272	3691	2333	0	11430	13255	7751	1439	0	7679	3233	10528	7014	3137	2620	0	5755	5262	Lipid	0.16666667	1.6666666	0.0
24	C23 H40 O3 N2	393.31116	393.3116	-0.13186081	393.31113	0	0	0	0	8839	3707	0	0	0	0	0	0	1824	8328	0	0	0	0	1910	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10027	0	0	0	0	0	0	0	0	0	0	1223	0	0	0	2312	0	0	0	0	0	0	0	15090	0	11661	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2146	29222	0	42031	2848	0	0	0	0	0	0	0	0	1168	0	0	10617	0	0	0	0	0	10426	0	0	0	Lipid	0.13043478	1.7391304	0.08695652
16	C23 H40 O3 N2	393.31116	393.3115	-0.22167899	393.3111	0	0	0	0	0	0	0	0	0	0	0	939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2407	0	0	5069	1792	0	0	0	0	0	0	0	0	0	0	0	0	1144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5891	0	0	1965	0	0	0	0	0	0	0	0	6910	0	0	193460	0	0	0	0	0	0	0	0	0	0	0	2180	0	0	0	0	0	0	0	0	Lipid	0.13043478	1.7391304	0.08695652
26	C21 H44 O6	393.32108	393.3213	-0.33579618	393.32092	2071	2407	3359	2456	12348	26617	0	0	0	0	0	0	7744	143138	0	0	0	0	31650	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38021	0	0	0	0	0	0	0	0	0	3168	3328	0	0	0	0	0	0	0	0	0	0	0	0	5484	195589	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16604	30195	0	1492	0	0	0	0	0	2665	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2857143	2.0952382	0.0
28	C21 H44 O6	393.32108	393.32123	-0.27155593	393.32095	0	911	831	0	1913	1356	0	0	1437	0	1234	0	0	1145	0	3184	0	0	0	0	0	1207	0	0	0	0	0	1836	0	0	1445	83313	0	0	0	0	792	0	0	0	0	0	0	0	0	0	0	0	1247	0	1017	844	0	0	0	0	0	0	2154	0	0	0	1111	1913	0	1080	1931	1045	0	965	0	924	0	4329	0	1073	0	0	0	2694	1100	0	1287	0	0	0	1233	972	1299	1659	0	1313	1704	1009	0	0	1572	0	0	0	0	0	0	0	3491	1481	0	0	0	0	Lipid	0.2857143	2.0952382	0.0
24	C25 H44 O3	393.33633	393.3363	-0.31150258	393.3362	0	0	1425	1124	0	0	3340	0	0	0	0	0	0	0	1635	2833	11316	0	0	0	0	0	0	0	0	0	4281	2510	0	15007	1118	2861	0	0	0	2248	0	2765	10972	0	0	0	0	0	0	0	0	0	1755	1559	1235	0	0	0	0	0	0	2474	0	0	1948	0	0	0	1645	0	0	21810	0	0	0	0	0	0	11836	3135	0	0	0	0	0	0	0	0	0	0	4575	0	0	6438	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1186	0	Lipid	0.12	1.76	0.0
26	C25 H44 O3	393.33633	393.33652	-0.21559992	393.33624	3001	5469	2974	2833	0	0	46211	7470	0	0	7249	0	0	14114	0	6935	22691	0	0	0	0	0	0	0	0	5498	51478	9792	9271	55154	6740	8744	0	3005	0	14884	0	7466	15420	0	0	0	0	0	0	0	0	0	17067	12776	2657	2044	0	0	0	0	0	5051	0	0	11352	0	0	0	17804	0	2385	27738	0	0	0	0	3167	0	18877	13490	0	0	5854	7121	0	3440	0	3462	0	0	24127	0	4827	14769	2822	0	0	0	0	0	3698	0	4309	0	0	4575	0	0	0	1625	0	0	5709	0	Lipid	0.12	1.76	0.0
28	C25 H44 O3	393.33633	393.33673	-0.16462907	393.33624	3130	3822	1852	2465	1851	1050	23780	7621	1720	1314	11000	2591	2591	4792	4368	4003	6321	3365	1877	2973	2643	1390	2814	2328	6215	7154	21583	9447	9269	22320	3552	6214	1907	4208	1140	10791	1914	3698	4267	1913	1638	3718	1974	2232	3727	0	2645	1713	6261	7469	1487	3574	1436	3410	1936	3516	2735	4294	2456	2574	6735	2103	1336	1175	9712	1083	2603	6444	8766	1717	1575	2957	3109	7722	4396	5259	4029	2474	4606	11437	1546	5594	3318	4441	2765	3764	12881	1389	2094	6339	3897	796	2223	3819	2221	2222	2018	4179	3708	1136	2172	4751	3432	4585	5785	1541	1448	2023	4235	941	Lipid	0.12	1.76	0.0
14	C17 H15 O8 N1 S1	394.0591	394.0596	-0.06281282	394.05908	4130	1708	2271	2325	3794	1767	0	0	3542	8855	7367	0	7949	1257	1769	0	0	2363	0	2591	5678	12003	0	0	0	4650	0	0	0	0	0	0	1874	0	14345	0	0	0	1479	9293	19013	1358	0	0	0	4838	7505	0	0	0	2619	1770	2312	0	4885	3149	1261	2771	0	0	0	6560	3754	2143	1985	3537	0	0	0	7819	8044	0	0	0	0	0	0	0	2549	0	1710	2361	0	3936	3145	0	3159	2143	1524	0	3305	3779	3056	18767	22674	0	2173	0	1383	4626	2187	0	0	3811	0	0	1810	0	0	5297	Organosulfur	0.47058824	0.88235295	0.05882353
18	C17 H15 O8 N1 S1	394.0591	394.05954	-0.18153046	394.05905	0	3829	0	3973	2269	3277	1069	0	4160	8509	5915	933	8302	2636	1401	4070	0	9378	4405	0	8453	21497	0	0	1967	3018	0	2264	0	0	0	0	3313	0	8233	0	3395	1236	0	13771	13997	0	0	0	0	2424	7443	0	0	1732	2186	3986	2620	0	2475	4283	1495	5452	1292	3267	0	8462	4946	6321	2020	2277	1731	2058	3730	3060	7219	0	0	0	0	0	0	0	2062	13434	0	3278	0	6391	4078	2004	3156	2305	1523	6522	4258	9863	3658	14299	20244	0	4228	3878	0	3699	3401	0	0	2272	2647	0	2106	0	0	4446	Organosulfur	0.47058824	0.88235295	0.05882353
16	C17 H15 O8 N1 S1	394.0591	394.05963	-0.08818668	394.05908	2947	0	4318	3215	5251	2955	0	0	4573	10364	7646	0	5362	0	1832	0	0	9900	5703	2994	4437	20213	1533	0	0	3770	0	3751	0	0	0	0	0	0	15876	0	0	0	1872	13352	13873	1344	0	0	0	3601	6339	0	1737	0	4146	4334	3325	0	6581	3066	1427	2434	2185	2751	0	6017	5852	2563	1355	4747	1345	0	5690	6622	8790	0	0	0	0	0	0	0	1947	16585	1269	5545	1299	6602	2360	1324	3687	2611	1617	0	3157	5817	0	27059	27522	0	3326	3510	2048	3092	2595	2563	0	0	0	0	2531	0	2344	6491	Organosulfur	0.47058824	0.88235295	0.05882353
20	C17 H15 O8 N1 S1	394.0591	394.05954	-0.18644609	394.05905	1648	1865	0	3403	3336	2483	0	0	3714	3133	1805	0	3938	1979	0	2207	1352	4280	4268	2618	0	8441	1389	4327	0	0	0	0	0	0	0	0	1592	0	4539	0	0	0	0	4059	5289	0	0	0	0	4787	3436	0	0	0	0	0	3302	0	2190	0	1417	0	2041	1656	1407	6468	3312	4796	1491	3017	1835	0	2584	1827	0	0	0	0	0	0	0	0	1909	9959	0	2471	1108	0	3435	2455	2466	3001	2204	4891	2508	4134	3701	14777	21677	0	2244	0	2141	1896	0	0	0	1512	1898	0	0	0	0	5074	Organosulfur	0.47058824	0.88235295	0.05882353
12	C17 H15 O10 N1	394.07687	394.07736	-0.15205415	394.0768	23969	26673	23525	24324	34991	16236	3963	4595	45000	46080	44130	11458	71073	11567	7164	8913	12256	43070	42840	32614	62498	96893	17918	11995	3451	0	2013	8977	5081	4443	3287	4117	14476	3447	72619	2742	10091	10216	7910	39846	81370	15489	0	0	0	18955	46554	0	6410	5194	30441	26523	25014	0	61123	39066	16562	12661	10623	14721	0	38202	93033	52162	12650	54435	18271	14890	0	6857	21393	4308	4108	1507	6910	4157	0	7485	18393	41397	13914	19223	2820	7230	44171	16777	15474	20028	18768	24971	4726	12504	20470	95646	45908	0	25755	23470	40698	47701	41604	15110	9760	11055	24929	17259	27931	0	5375	85879	Phytochemical	0.5882353	0.88235295	0.05882353
8	C17 H15 O10 N1	394.07687	394.07748	-0.12530315	394.0768	5875	7631	4949	7251	12659	4162	1033	2041	19402	8160	10351	2897	28881	4007	1688	2238	2150	11487	13471	7893	16435	16954	3970	2045	0	0	937	0	1118	1402	1609	978	2920	0	16207	1778	2282	1289	2280	7410	15092	6121	0	0	0	5211	10641	0	1934	2066	7754	7740	6994	0	15165	15930	5614	1533	1287	3666	4436	5378	38279	25429	4560	14606	5203	2780	0	1344	5285	1598	975	768	1919	1800	0	1612	3978	5529	2884	3228	0	1443	16240	6445	4916	6177	5528	6206	0	0	3432	18699	9419	0	6949	7623	10644	21184	18484	3589	2099	1585	0	3253	9672	0	0	31382	Phytochemical	0.5882353	0.88235295	0.05882353
18	C17 H15 O10 N1	394.07687	394.0773	-0.18072851	394.0768	12650	14823	12768	13487	18487	14195	2255	2798	25052	17917	10933	4084	62657	10468	7101	2693	4776	41762	33777	12700	22877	39117	14939	8159	3731	0	3159	3434	0	2913	2427	2467	5710	0	15096	0	6713	6638	4862	12320	23281	10414	1196	0	359	11903	28266	790	3629	1763	13383	12354	15722	345	36765	33890	14282	6252	2915	4773	3702	15656	58890	30765	11205	32311	14296	5123	6464	1938	7887	1956	1811	0	3976	0	435	5214	14402	34001	11500	14850	2384	3601	30979	14413	10540	12222	12123	9384	0	11152	10209	46610	24824	0	13886	14252	13712	26720	29938	6535	3307	3949	11678	7624	21404	0	5190	47985	Phytochemical	0.5882353	0.88235295	0.05882353
16	C17 H15 O10 N1	394.07687	394.0773	-0.16973147	394.0768	25455	27083	20950	26158	35517	22459	5807	5545	39212	46873	21586	8256	83645	12384	7984	8881	10192	42447	44221	24537	53378	63970	19318	10073	2316	0	4574	6302	4782	3728	5489	7716	13310	3277	56652	2807	14933	8445	5493	32916	59192	13934	1679	0	300	16357	41834	602	6837	5773	24187	21402	31699	0	51058	33922	17625	8758	6968	7625	8978	31461	85645	48397	13569	49308	18952	8965	8407	4488	16672	4141	4048	1914	4844	5345	0	8466	19914	46270	10431	21842	2690	8917	49803	19394	16298	18640	16511	0	5452	14235	0	77259	61498	421	28060	17856	25677	39236	44562	14805	7142	6575	23754	0	30167	0	6367	92664	Phytochemical	0.5882353	0.88235295	0.05882353
20	C17 H15 O10 N1	394.07687	394.07727	-0.1842503	394.0768	5974	3984	7386	4298	13552	8722	1716	0	16196	5457	3140	3373	32706	4871	2898	0	3986	17759	10037	3090	10196	19876	6593	2144	3341	0	2117	0	0	0	0	2150	2155	3102	11954	0	2707	2294	1725	4073	16206	5742	1172	0	462	4590	17442	1170	1671	0	6438	7311	9366	0	17492	12806	5312	5872	1847	2875	3208	8856	29073	21435	4884	19117	5244	3402	3026	2318	1651	2037	0	0	1919	0	535	1645	5523	15862	3367	9051	1787	0	15385	6519	8975	7313	5654	5000	0	3866	5268	22617	18884	0	8121	5692	9479	14571	10017	2769	2778	0	8457	2925	12379	0	2141	36084	Phytochemical	0.5882353	0.88235295	0.05882353
10	C17 H15 O10 N1	394.07687	394.0774	-0.13933557	394.0768	19658	19411	15424	14335	23602	9459	2266	2957	33534	25401	22248	5147	55330	7153	5332	6019	6347	31462	27976	20455	38934	49740	11995	5188	0	0	3288	3173	2604	2066	3237	2347	6013	1559	43615	1321	5616	5686	7156	18288	50742	10340	578	0	0	10264	27509	0	2216	4260	16260	15915	14651	0	35748	34002	10767	6099	4763	9021	0	14209	64365	41441	14054	38374	11251	9889	11355	4833	14042	2736	2555	2062	5968	1737	0	4071	10553	16979	7795	8936	1247	2988	29987	7802	8983	18816	15346	14294	0	5791	10861	52130	31281	0	13729	14772	24031	36516	34242	7949	6026	2742	0	9048	23233	0	2098	68850	Phytochemical	0.5882353	0.88235295	0.05882353
14	C17 H15 O10 N1	394.07687	394.07736	-0.14636467	394.0768	34544	27568	25088	27584	37537	22516	5394	6058	52604	61655	49613	14699	83964	16323	11967	14885	12062	57247	49606	34511	75966	98764	18651	6938	5177	0	5283	13691	4559	3526	4899	7757	18280	6469	73184	5009	16573	13429	13426	42525	73580	20381	0	0	0	25687	53567	0	9189	5488	23768	29240	29640	0	65833	47208	20166	15538	14002	20163	0	42932	94260	58505	16787	53915	23331	15858	17487	7220	19814	6406	5012	1956	8914	4647	0	7636	20253	57394	17257	18063	4038	10619	49106	19964	21495	21692	22581	23959	8035	17470	29433	97884	66552	0	26362	30101	37541	51856	50071	17846	13671	9726	24412	16537	35045	0	6441	80707	Phytochemical	0.5882353	0.88235295	0.05882353
8	C16 H15 O9 N3	394.0881	394.08875	-0.006933839	394.0881	6342	7320	5733	5808	11205	2997	0	4548	24186	3801	9135	2844	33417	4302	3297	4584	8196	11454	19230	6201	8468	27228	9021	3822	0	837	2514	0	0	3228	0	2997	5313	4785	13389	2529	8883	3306	6771	5337	17373	7674	0	0	0	0	6999	0	3855	2619	8667	8628	9285	0	25617	14958	5589	4698	4032	5466	0	6753	48774	24471	10620	25029	5565	6324	0	1185	2536	2358	0	0	6690	0	0	2679	9099	0	5610	2742	2883	0	21306	0	0	12336	9366	16479	0	0	14280	17274	5631	0	9522	9819	11631	19794	16911	6156	0	0	0	10254	8226	0	2676	33675	Peptide	0.5625	0.9375	0.1875
20	C21 H15 O7 N1	394.09213	394.09253	-0.22573203	394.09204	4596	3963	3622	3118	0	0	1658	0	1790	12968	10941	0	2684	0	0	3362	1472	3433	1605	4193	13940	10876	1389	1833	0	17115	0	6390	0	0	0	0	0	0	17466	0	0	1623	1595	12199	24532	0	0	0	0	5624	17062	0	0	0	1939	5804	3824	0	0	2239	1495	0	0	3967	1986	6744	4527	4422	1880	4128	1978	1745	24017	14337	39404	0	0	0	1548	0	0	1123	1896	12847	1685	4034	1625	8810	3944	1575	3459	2318	2904	3698	4541	2477	4349	18693	12924	0	3377	3977	2525	4550	1884	2063	0	0	5818	3705	2086	0	1604	3706	Phytochemical	0.33333334	0.71428573	0.04761905
18	C21 H15 O7 N1	394.09213	394.09256	-0.10905853	394.09207	2695	3705	4545	3646	2956	0	2126	0	2508	10062	11783	0	2865	1531	0	2670	0	2033	3464	8168	11908	7516	2181	1453	0	22007	0	9213	0	0	0	0	1644	0	10698	0	0	1603	1396	10495	13744	1748	486	0	0	5107	9327	0	0	0	3765	3943	1775	0	2406	1813	3334	0	1780	2088	1938	4569	3645	2137	1285	1862	1149	3819	32090	25507	41648	0	0	0	0	0	0	0	2764	12294	2146	3432	2223	4291	2925	0	1540	2604	1700	8056	2941	3384	3364	15134	17427	0	2861	0	3043	2110	4042	1487	0	2541	3031	3071	2477	559	1916	3132	Phytochemical	0.33333334	0.71428573	0.04761905
10	C14 H19 O12 N1	394.098	394.0985	-0.12189147	394.09796	4547	7064	5690	5210	16552	6053	1589	2011	15152	18321	7751	2607	38429	2931	2364	0	2376	15944	16613	9813	23442	22208	6524	3657	977	7861	1109	3591	1299	964	1242	1770	3822	1577	45030	0	3167	2050	3265	11846	37482	7498	0	0	0	5976	10688	0	3829	1665	5599	5692	9823	0	22838	21306	3476	3061	0	4099	0	10645	26336	26943	6019	16858	4951	2523	11455	11652	14686	2056	1721	1453	2861	1238	0	1770	4687	6352	4142	6622	1321	6139	22296	4829	6732	6187	5939	4014	0	6750	4308	26230	18345	0	5150	8329	9160	20751	21358	0	4444	4276	0	2286	8119	0	2162	29058	Unclassified	0.85714287	1.3571428	0.071428575
14	C14 H19 O12 N1	394.098	394.0987	-0.1138357	394.09796	11925	9385	9262	6670	12279	5853	4809	2963	10691	26997	18467	1890	36245	4492	3096	0	6123	15758	9208	25656	28230	27315	5109	5510	2914	22289	3409	17120	1394	1907	2759	0	5474	3555	35902	1832	4827	3846	7277	29749	30489	6364	0	0	0	16759	15280	0	2798	1538	8576	9292	6588	0	17820	13526	4060	4875	0	6443	0	17918	35353	18194	2252	13970	6012	6780	19133	35297	38775	1897	2754	0	2603	1596	0	2311	5176	18090	4083	11614	5745	17329	17364	3113	8413	7352	6694	14433	18494	13435	8126	28646	38300	0	6998	9753	4053	15688	15807	4612	1681	6937	0	6424	8714	0	4384	26437	Unclassified	0.85714287	1.3571428	0.071428575
12	C14 H19 O12 N1	394.098	394.0985	-0.22198114	394.0979	5694	5920	4643	8062	16340	7022	3334	1814	20771	24382	10220	0	31880	4260	4939	3531	4436	19802	17715	14524	17657	22473	7780	3994	2203	12724	1456	0	2443	1023	2473	0	4655	2476	53538	0	5951	3589	4043	23639	23288	7893	0	0	0	10626	13099	0	2682	2252	5707	6177	10072	0	17672	20645	4496	3445	0	9432	0	15433	43884	17688	4981	17926	6957	4691	0	19521	22387	1421	2112	0	3448	1541	0	3275	3919	0	3318	9811	5029	14908	16199	3688	6791	7199	6341	7147	6468	14271	6925	20702	21847	0	5307	4532	10023	18424	15228	4808	2654	3598	0	3142	12019	0	1849	46683	Unclassified	0.85714287	1.3571428	0.071428575
8	C22 H19 O4 N1 S1	394.11075	394.11124	-0.1646047	394.1107	0	0	0	0	0	0	640	0	0	1277	0	0	0	0	1817	0	0	0	1106	0	0	0	0	0	0	0	0	0	0	0	1113	0	0	0	0	0	1111	893	0	0	0	748	0	0	0	0	0	0	0	0	904	0	0	0	1400	728	1126	0	2046	0	0	0	0	1294	0	0	756	0	0	0	0	961	800	0	22716	1604	0	0	0	0	0	567	0	0	0	0	0	1375	916	0	0	0	1445	0	0	0	1876	0	0	783	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.18181819	0.8636364	0.045454547
10	C18 H19 O9 N1	394.11325	394.11377	-0.16546395	394.1132	169813	159976	144151	135880	120623	81821	66453	112516	151223	396751	240660	80392	211045	59293	80465	116084	96281	165426	195507	278612	396084	292106	101454	119514	43361	109321	69000	114608	91057	87749	83871	97146	141419	84372	488575	89051	127068	79060	115512	292759	382979	77632	3327	0	0	182339	301010	0	112786	89683	153154	161545	94523	444	199930	121082	60051	107675	111226	128891	120949	214284	242353	180446	69248	147585	88180	114028	229574	172562	281726	95586	87707	78536	83790	86664	0	75632	101757	145968	89657	140182	72294	111137	130309	70069	95247	93532	88117	129797	84532	145959	155292	259647	293569	766	160506	166360	105782	118532	109656	126041	77117	124166	171298	107336	97950	0	60291	254970	Phytochemical	0.5	1.0555556	0.055555556
12	C18 H19 O9 N1	394.11325	394.11377	-0.13371399	394.1132	208882	199782	199045	208535	151311	101265	107992	146280	208497	501229	306249	94642	254865	70418	106195	138762	122048	240972	259855	378860	519183	532839	148908	147971	77842	137290	77159	188979	122727	103953	119018	120633	157299	109684	782598	111207	146138	105463	143938	408794	500393	107570	3937	0	363	278248	410930	854	137655	128898	202180	212858	131714	564	289058	148999	85428	146754	177921	156393	162082	351966	367437	224951	71720	217850	129845	132448	338568	267783	369727	126254	112541	104273	92716	107767	0	107966	132649	249897	121807	202616	92486	163496	162884	88171	134381	99001	118766	202155	123823	198674	184424	364605	347033	1061	235162	225111	156238	133735	134431	164347	100895	154731	267303	151572	129212	352	79799	340823	Phytochemical	0.5	1.0555556	0.055555556
8	C18 H19 O9 N1	394.11325	394.1138	-0.16936044	394.1132	89152	86485	67905	85850	66646	42661	27019	56821	92559	199350	151610	47826	133312	27699	41210	69736	63871	84744	104243	145872	217174	154464	59233	69420	21319	38313	29748	62249	43861	46713	48849	55244	58872	43633	277220	42945	67916	41141	75904	141609	228619	43308	1584	0	0	102957	174307	0	60148	49633	92533	87292	53101	320	110782	74068	43364	55448	55393	72942	79276	116962	153727	109609	41610	90088	50805	78086	110031	88910	167718	54409	48814	44352	37222	53186	0	38619	61041	60155	48337	68130	33840	65591	73005	39584	46225	53295	49260	80732	36453	67646	94711	133736	144719	0	86800	89281	70657	80213	78535	66227	43123	76824	77479	63350	68679	0	31444	148176	Phytochemical	0.5	1.0555556	0.055555556
14	C18 H19 O9 N1	394.11325	394.11374	-0.15699868	394.1132	241689	225310	207726	221666	183340	146752	96267	136774	218716	619931	315928	99788	329908	88940	119786	142189	117182	272047	264625	410749	542058	606331	142419	161397	92288	160221	83604	208681	117898	114008	104747	130682	179660	111049	848301	113534	170369	100523	115634	435492	412466	129117	5578	633	610	291458	362510	734	129474	117642	206470	206391	143530	869	312218	164840	104192	156675	206156	124177	169473	353944	330710	233561	90736	230831	138741	110851	313362	252097	294433	120617	104459	99807	97768	114152	524	98964	140494	299823	124607	203229	97553	183647	173076	113937	136388	126437	137979	164569	153666	208383	249823	409804	512475	1144	219286	219227	128386	162557	150704	162829	93173	187571	307752	155910	134165	543	93194	325131	Phytochemical	0.5	1.0555556	0.055555556
20	C18 H19 O9 N1	394.11325	394.11362	-0.22446688	394.11316	37627	39460	38229	35007	43230	30297	15269	23651	45890	91963	35933	17175	75556	25329	25917	20237	13029	69770	55847	54128	72106	80343	31351	29839	26316	36803	12083	23827	15610	15749	18117	17321	37827	20199	98029	11597	32960	15764	14564	60228	53313	24020	3075	928	1125	63004	76544	1467	21206	17953	32144	35084	36149	1101	64348	36522	23887	25006	20228	10925	23381	51771	66892	53238	24536	50190	28858	12565	42138	47979	44643	17743	15163	14542	11338	16391	1364	18720	23835	49030	23812	39469	15627	40138	56619	30614	27007	24683	25320	15773	26941	28779	39343	73189	70370	834	36435	39573	35125	38849	43602	26695	19095	28194	49652	28103	36726	1047	15138	87127	Phytochemical	0.5	1.0555556	0.055555556
6	C18 H19 O9 N1	394.11325	394.11383	-0.1913206	394.1132	34017	41925	26286	32821	26223	19460	11538	20635	44310	79062	59330	19853	56235	12196	15111	27739	25409	39231	45414	52446	87507	60473	22133	28877	7969	15915	10565	23176	17664	18714	18715	19963	32234	18080	95675	16845	26690	14985	29005	38644	84878	20938	0	0	0	28742	69509	0	21785	20522	33269	37291	23337	0	49614	35249	16155	23485	17771	31827	26683	36711	71519	40224	16485	40563	25859	32279	32520	29567	63096	18481	19783	14237	10919	18892	0	13066	21135	19190	16852	22442	12193	15329	42111	20970	22160	24886	25664	36093	9192	25285	39005	54900	44099	0	36627	32486	27236	41161	39836	27508	14600	29174	24839	29260	24591	0	11336	69015	Phytochemical	0.5	1.0555556	0.055555556
24	C18 H19 O9 N1	394.11325	394.11362	-0.15252504	394.1132	4906	6821	5207	5993	8159	3738	2423	1265	6734	12312	4261	2639	17417	5025	3315	1915	0	12995	8544	4347	9788	13490	3772	3325	0	2879	0	2538	2306	1830	2785	1482	2644	1447	12373	1537	3694	1711	0	9565	9952	2153	2046	0	0	9918	12014	0	2668	2208	7755	6639	5320	0	9674	8472	4157	4918	2281	2639	4050	9055	15919	10131	2660	8634	3476	1484	6022	8498	9362	3524	2238	1485	0	1466	0	1693	5600	9642	3702	7756	2074	5349	11819	4784	5269	4038	2734	1728	3416	2016	2594	15119	22204	0	5513	6481	5638	6219	6642	2866	2065	3968	6585	4307	5617	0	3701	16847	Phytochemical	0.5	1.0555556	0.055555556
4	C17 H19 O8 N3	394.12448	394.12512	-0.2492595	394.1244	11110	13129	10839	9972	8357	4395	5401	12029	11027	8133	9229	8953	13686	3663	7573	11385	18048	9631	13049	8192	14011	14992	10577	11886	3722	911	5985	0	6806	7169	9515	8421	11663	6017	13109	7906	13230	8546	21871	9937	17115	7623	0	0	0	9616	16019	0	9155	9252	11354	9679	8664	0	11994	9488	6163	11046	7564	12215	12824	8188	19596	12519	6921	9767	7333	19634	3530	2656	5279	8829	6720	8004	5720	7270	0	7003	8042	4976	7266	6737	4702	3059	12333	6081	8087	10353	9125	21477	5471	6125	22661	10669	7879	0	10550	12023	7101	13912	10875	11254	7349	12561	8638	13788	7838	0	5572	18637	Peptide	0.47058824	1.117647	0.1764706
8	C17 H19 O8 N3	394.12448	394.125	-0.21896732	394.1244	332664	344410	312803	407101	187326	191725	174810	292730	184098	563048	397446	211492	363875	82964	229924	333228	316900	316860	263787	519518	603808	586993	265548	386812	142512	230146	198941	167813	234032	255770	270530	301130	351551	238175	683436	271132	357735	244306	328200	593545	735729	197322	0	0	0	421281	615781	0	340141	229673	366639	371197	209855	0	351219	289653	156033	257825	276902	282633	258342	367027	401162	333640	143088	307157	209145	344922	209836	466065	743192	296358	292302	257412	216252	284506	0	216170	293078	219754	224212	294442	186977	214518	155715	182139	266118	239170	238528	414370	206852	381262	519852	407812	403887	0	362549	359009	210880	259901	271633	346425	223224	432617	231076	335059	227667	0	201509	442001	Peptide	0.47058824	1.117647	0.1764706
12	C17 H19 O8 N3	394.12448	394.12488	-0.2394671	394.1244	21790	25763	25105	26013	15132	15205	24685	28345	21028	21659	12985	20175	26153	7583	25248	24530	31948	27776	0	24540	23543	48645	31003	32761	19644	2909	11610	0	24988	22456	22271	19564	25505	18144	25434	19504	26107	23035	30588	26823	38308	18948	0	0	0	27151	25927	0	24688	22981	26340	23791	17739	0	30026	8973	0	35221	24948	20556	25926	28156	29081	20614	12076	0	20190	35476	0	13639	12254	18019	23273	15018	21179	15348	0	18756	28338	21420	23707	16771	16298	11067	18899	0	29925	17732	0	54011	22384	36367	52533	22173	12959	0	27497	24603	14122	13786	0	25357	17241	23333	0	34461	14790	0	19797	34171	Peptide	0.47058824	1.117647	0.1764706
6	C17 H19 O8 N3	394.12448	394.12506	-0.21963671	394.1244	33817	36842	33829	35938	20978	14809	19366	40220	31327	32522	26908	28845	35970	8097	23340	38258	37466	37875	47746	34289	46104	56084	31854	43846	12743	2945	20706	13824	26230	27262	30963	30314	40491	29297	42313	29367	38674	24176	46986	31668	59751	24579	0	0	0	35152	57891	0	33348	30848	34671	32562	21587	0	36216	0	18980	39318	29071	40816	35413	29742	51538	36120	23482	31823	31920	51950	10719	10868	19983	32609	29283	25909	19132	25596	0	19847	26596	15266	22965	21888	16843	14342	0	17614	28935	35598	28966	62083	16535	31243	67582	34429	29836	0	34450	36290	18648	22857	0	38045	25174	40708	35876	40899	17784	0	19974	49943	Peptide	0.47058824	1.117647	0.1764706
24	C22 H19 O6 N1	394.1285	394.12885	-0.21935067	394.12842	1155	2412	0	3334	1167	0	0	0	0	4287	7803	0	1657	0	0	0	0	1235	1511	2470	6145	3197	0	1106	0	13766	0	7073	0	0	0	0	1988	0	2238	0	0	0	1247	7863	13836	0	0	0	0	4397	10111	0	0	0	1551	1952	0	0	0	0	0	0	0	1681	0	2977	0	0	0	0	1500	1704	15146	5838	21201	0	0	0	0	0	0	0	0	4478	891	4816	2088	5417	1168	0	0	1660	934	1907	0	1319	0	2822	6654	0	2168	1108	0	0	0	0	0	1403	4639	0	0	0	962	0	Phytochemical	0.27272728	0.8636364	0.045454547
18	C22 H19 O6 N1	394.1285	394.1289	-0.22209172	394.12842	14708	13263	13912	12004	16280	2034	10344	8526	11171	27248	27995	5498	17030	3234	1397	14389	10544	9939	14515	12441	17734	7062	7740	11123	7573	65556	5855	19703	10959	7458	10272	0	12066	0	19526	0	10611	6186	17888	29133	29959	11504	485	0	0	23385	21012	0	9692	7361	12174	17180	9649	0	12850	8477	8313	13083	10010	7612	10887	18757	16383	7561	8044	11754	10907	16053	62494	57076	79684	1177	0	7878	10534	0	0	0	12005	14125	14899	10285	8578	12666	11922	5848	17223	17444	8677	16901	4685	10048	25540	14799	24691	0	11823	5041	10879	8020	9859	14537	8166	11706	0	15435	7052	0	10710	16623	Phytochemical	0.27272728	0.8636364	0.045454547
20	C22 H19 O6 N1	394.1285	394.1289	-0.14717281	394.12845	9142	12618	17696	17188	8936	3753	7976	6351	7228	35698	63998	0	0	3868	0	0	6392	17082	8546	28986	55872	25843	4354	6000	9900	103196	3826	35442	4164	4274	0	4226	6588	6520	36618	0	3726	6708	9344	40520	72126	3596	0	0	0	25076	46762	0	3130	4140	9128	9496	6916	0	4142	4488	11878	9180	2060	6326	9106	25476	15284	9859	6378	7130	13810	5462	108962	85446	157606	4485	2590	0	0	2856	0	2404	7634	34308	5824	16428	2814	28904	7920	4734	8678	9454	10432	13648	9696	17610	7298	32980	25436	0	13296	11932	9240	8514	5290	14451	2726	10218	10066	9726	7468	0	4884	7638	Phytochemical	0.27272728	0.8636364	0.045454547
22	C22 H19 O6 N1	394.1285	394.1288	-0.2579606	394.12842	2903	2486	3746	4109	2407	1540	1477	0	2860	11449	24062	1105	0	0	1261	2747	0	0	1837	10307	12268	7982	2463	2233	3384	39458	0	18359	2480	0	0	0	2703	0	11930	0	2499	2178	2215	10289	23059	2206	0	0	0	9667	20222	0	1199	1151	5010	5229	2922	0	1935	3156	1525	0	0	3760	0	10779	1939	3017	1504	3283	4729	3066	41493	26975	42754	2017	0	0	1357	1541	0	1436	1947	13621	2253	9101	0	11363	5451	2699	4767	2445	3241	3996	5147	4882	2773	13828	11645	0	4088	3450	2478	1716	0	0	1297	2373	6974	1630	0	0	3533	1702	Phytochemical	0.27272728	0.8636364	0.045454547
12	C15 H23 O11 N1	394.1344	394.13486	-0.32050258	394.13425	187266	160140	78327	191538	63886	115359	62094	94465	101118	332448	165400	119831	107580	32912	152417	173226	150090	117458	121415	341411	314556	188313	151203	209256	101382	101310	102594	59775	71839	117233	83888	159675	204377	133366	475396	61525	173011	60876	178753	345210	169170	60222	0	0	0	162444	96288	0	68016	69669	72678	166752	126583	0	152453	75870	82968	159114	53646	79878	108825	205435	149003	175441	34164	83436	61340	104190	70257	253734	232542	148398	110442	57076	106690	111678	0	57784	76007	73122	62726	155016	114516	144518	130471	92104	91596	54013	114850	132021	191328	249177	135666	120815	187818	0	224400	86203	126897	68181	121235	64707	105610	143628	0	175938	65920	0	71830	173040	Unclassified	0.73333335	1.5333333	0.06666667
8	C15 H23 O11 N1	394.1344	394.13486	-0.3418937	394.13425	65397	77080	63624	84439	40235	43952	37764	59959	51165	131115	95925	42536	80159	21480	45872	68966	59043	69802	75678	118566	138906	131217	49210	80370	28303	58194	43155	39471	45916	52042	54122	63594	72246	48860	161874	54495	76246	48182	65261	140199	158991	39984	0	0	0	93033	138015	0	73464	45405	81859	82180	43005	0	77087	52548	31648	49260	56102	64071	50610	82323	81669	71734	28188	63420	42638	64713	53676	123210	191244	61801	64856	57538	41810	60631	0	43601	55239	48000	41338	66987	39519	50814	51105	39566	55302	47808	52168	73431	49602	91260	95498	92328	97620	0	89129	75841	39993	55706	63557	71704	42346	95028	49368	66130	47952	0	39361	97955	Unclassified	0.73333335	1.5333333	0.06666667
6	C15 H23 O11 N1	394.1344	394.13492	-0.25723502	394.13428	43596	57734	47347	39024	32288	27319	20122	36054	37568	74008	59328	25697	55630	12661	24522	45197	46148	44811	54418	60720	89116	68176	35720	45473	16297	54824	17959	27456	33528	27725	28342	38861	56107	41021	105816	34740	35770	27111	49467	66684	118449	29256	0	0	0	52232	101936	0	35785	44464	49020	58505	31173	0	48263	33628	18416	42100	29576	35684	36873	53836	51906	42142	15687	41010	30936	52037	47224	38840	74252	36170	32606	31354	22906	39708	0	20247	29163	29468	21974	34448	22638	37080	39039	26779	26089	34693	31870	72177	21304	53716	71565	58580	80752	0	46679	41657	25345	32329	41460	47246	25500	47244	0	45262	37925	0	17935	61455	Unclassified	0.73333335	1.5333333	0.06666667
12	C19 H23 O8 N1	394.14966	394.15015	-0.16723786	394.14957	385473	416029	395423	393394	200421	188336	284747	905242	270219	889356	450635	216498	292217	117698	273812	344358	282681	363714	415195	940391	992625	693991	310788	419490	259574	550914	191611	363190	384326	323051	354157	349563	423068	339511	1284269	346123	376330	253919	305315	803788	675037	209541	6762	698	1197	554793	503895	942	413400	377954	384341	385938	214340	1302	405469	185842	143569	373765	426773	352565	426348	535225	373425	269982	116571	282428	228092	317503	595884	840995	769594	350690	352196	378117	260808	330387	627	278552	261415	296616	260173	351512	320278	410337	215664	167526	266518	175503	231338	410169	363301	465766	481977	418911	501026	1580	400759	453412	203646	156962	156364	389530	236016	435680	343389	333000	198046	598	258871	366713	Phytochemical	0.42105263	1.2105263	0.05263158
10	C19 H23 O8 N1	394.14966	394.15015	-0.2014649	394.14957	294638	568092	265591	247436	138965	129342	148969	293009	182106	648637	296018	164187	232030	85387	180152	504470	371128	230584	267076	1243850	663657	918730	204071	290053	142449	320234	149062	219936	243045	232559	215149	245995	567514	205765	811644	230744	279238	159706	219570	535882	458893	136549	4726	999	894	352435	339702	833	249503	478052	290675	276040	138490	880	247572	124973	84823	514022	261981	236293	305975	314114	218115	194729	92039	191373	144627	219757	347365	450750	474459	253684	231750	230775	158648	225035	0	159004	183502	192001	175135	236080	201065	236778	151886	103716	166992	127216	138404	237007	212617	268191	699038	561014	440670	1875	278458	299616	132356	122451	119468	257721	317594	321885	239790	451430	114305	0	152618	265759	Phytochemical	0.42105263	1.2105263	0.05263158
26	C19 H23 O8 N1	394.14966	394.14993	-0.2334445	394.14954	9133	8117	7236	4642	6941	7996	0	0	6415	15919	6314	4754	11254	3200	0	0	0	11122	11503	10457	17926	7750	6801	7972	0	7971	2014	4504	5209	0	3682	3992	7003	7412	17663	0	5755	3223	3523	9908	7360	0	0	0	0	9222	9093	0	5013	0	5236	5121	5741	0	10743	6600	0	5115	3558	0	5093	4950	12133	6883	2428	10128	2209	2280	12024	17340	22472	9478	5080	0	0	5593	0	5258	5526	0	5597	3305	2355	3960	8218	0	5792	4974	5431	3551	3261	5910	7746	6608	10366	0	8131	7782	2580	5766	0	0	4553	0	0	4193	0	0	2510	11041	Phytochemical	0.42105263	1.2105263	0.05263158
2	C19 H23 O8 N1	394.14966	394.1503	-0.2515576	394.14954	11301	10538	9433	10870	9315	0	7976	10097	11999	13665	15534	8522	19847	5185	8297	3479	10849	12147	11327	10087	24178	14104	10158	6460	3480	4502	1578	9252	11146	5986	8733	7070	12402	6303	23073	7174	10343	6629	13231	9922	18291	9471	317	0	315	6266	12219	0	8147	6124	10179	11791	8292	0	13317	8528	6772	8744	5697	9940	4915	7143	15643	12006	6149	14116	9811	13586	8519	8655	12789	8463	8816	6947	1768	7911	0	6691	8702	7225	8449	6732	5219	4221	11120	5541	9321	9402	7921	14452	5258	10724	13038	13731	4683	457	9305	10028	9238	12737	10729	7793	7369	7077	7638	9594	8422	0	5620	16350	Phytochemical	0.42105263	1.2105263	0.05263158
8	C19 H23 O8 N1	394.14966	394.15018	-0.21561457	394.14957	173262	358120	277518	353196	88957	72476	76338	148010	124390	413624	380170	191600	178645	48989	205734	154868	234518	128348	349922	342846	791548	603920	116583	304882	133394	122849	151430	130094	127795	124218	223340	283980	143293	229836	1183888	248662	307722	90831	142449	575264	564880	166402	1385	354	581	200683	462886	359	143112	261024	324046	169257	188786	602	169105	86937	57624	257478	263874	131263	153985	374890	176177	139303	53244	131955	181414	136560	175159	214060	260949	287308	123539	118862	86528	242416	497	172008	120896	131268	98660	242576	206496	277528	89521	62005	199016	167144	188254	159635	109865	174206	409320	173780	515336	929	167401	176045	87384	95624	81368	145956	173940	404814	111098	125605	76685	352	83873	366824	Phytochemical	0.42105263	1.2105263	0.05263158
0	C15 H27 O7 N3 S1	394.16425	394.16464	-0.33143258	394.16412	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17910	653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	111423	0	0	0	0	0	0	0	0	0	0	30312	7324	0	5605	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.46666667	1.8	0.2
4	C15 H27 O7 N3 S1	394.16425	394.1646	-0.34417433	394.16412	0	756	0	774	0	2282	0	0	0	0	1785	0	0	0	0	0	0	0	0	0	0	0	0	366	0	675	0	15002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	122956	0	0	0	0	0	0	0	0	0	0	43967	13647	0	7030	0	0	0	583	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.46666667	1.8	0.2
6	C15 H27 O7 N3 S1	394.16425	394.1645	-0.31102067	394.16412	2782	1114	0	1206	764	0	0	1693	0	0	1623	1148	790	0	7174	0	0	0	0	0	0	0	0	1457	0	3671	0	4076	1073	0	0	1433	1917	1306	906	1009	4040	2769	0	1337	773	0	0	0	0	0	0	0	2316	761	1517	1227	0	0	0	0	0	2075	0	0	0	0	0	0	0	0	0	0	2009	2428	2612	0	1800	717	0	0	0	1414	0	23809	0	0	0	0	0	0	942	0	0	0	19578	6593	1342	3874	1331	0	0	0	0	0	0	1079	45875	0	0	776	0	0	0	0	Peptide	0.46666667	1.8	0.2
12	C23 H23 O5 N1	394.1649	394.1653	-0.49349374	394.1647	1803	1999	0	0	0	994	0	0	0	7506	5182	0	0	0	0	1633	0	0	0	6451	7467	0	0	0	0	23282	0	8936	0	896	1087	0	3293	0	6227	0	0	1019	0	3941	6229	0	0	0	0	5168	3555	0	0	0	2241	0	0	0	0	0	0	0	0	0	0	2196	0	0	0	0	0	0	16363	23102	29253	0	0	0	1279	0	0	0	0	0	1099	1028	0	4772	0	0	1596	0	1183	0	3297	0	0	0	2854	0	2313	0	0	0	0	3201	0	0	0	1718	1622	0	1326	0	Phytochemical	0.2173913	1.0	0.04347826
22	C23 H23 O5 N1	394.1649	394.16525	-0.2491534	394.1648	3298	6831	5847	5979	2521	1729	0	2239	2849	12949	19480	1069	0	0	0	3571	2923	6464	5103	8425	12904	5720	1180	3321	1376	51698	0	23077	2810	4212	2170	0	2739	2178	5901	3281	3313	2493	1747	15408	27445	2691	0	0	0	10153	15281	0	3679	2982	6185	5743	4745	0	0	2137	2199	3532	2576	4590	3489	6004	1478	1259	2189	3483	5337	3332	41218	31614	49218	1991	0	0	0	3779	0	1519	3031	10067	2119	7072	2092	10242	1297	2420	6682	4241	2875	7881	5034	0	5461	8926	8116	0	5253	5247	2452	1298	0	3440	1505	4439	8001	2952	1968	0	2721	1729	Phytochemical	0.2173913	1.0	0.04347826
14	C23 H23 O5 N1	394.1649	394.1654	-0.26440024	394.1648	0	2328	2066	3017	0	1251	0	0	0	4773	4779	1307	0	0	0	0	0	0	0	4796	8773	0	1642	0	0	28894	0	8485	0	1282	1885	0	2241	0	5410	0	0	0	2215	3078	7470	1289	0	0	0	2219	8420	0	1803	0	2282	0	0	0	0	0	0	2114	0	0	0	2041	0	0	0	0	1162	2268	19508	25243	24883	0	0	0	1446	1264	0	0	1560	0	0	0	0	4146	0	0	2014	0	1408	5437	0	0	2084	0	3673	0	0	2190	896	0	1864	0	0	0	0	0	0	0	1842	0	Phytochemical	0.2173913	1.0	0.04347826
24	C23 H23 O5 N1	394.1649	394.16516	-0.26890686	394.1648	1827	2610	3501	3137	2004	0	0	1288	0	2699	11566	0	0	1148	0	0	1489	0	2990	4912	6222	2205	0	2611	0	16922	0	12578	0	0	0	1856	1671	1462	3530	1200	2386	0	0	12241	11226	0	0	0	0	6649	8525	0	0	1471	2252	3528	1122	0	1890	0	0	2431	0	1098	2782	5270	0	1263	1261	2205	4310	2491	21179	13386	24303	1262	1014	1452	0	1474	0	912	0	3740	1134	6174	1639	4578	1308	0	2088	1123	1470	2235	1589	1629	4267	5015	4171	0	3348	1382	936	1330	0	1657	731	2171	2232	2370	0	0	1770	0	Phytochemical	0.2173913	1.0	0.04347826
14	C16 H27 O10 N1	394.17078	394.17126	-0.3317315	394.17065	71847	171920	145848	82724	41381	116720	152688	90473	61987	210468	104772	120252	39555	26928	75350	194124	116244	74843	56633	268267	209301	136050	160657	84780	223953	94614	118736	39357	205163	176628	194130	117157	269092	190668	257138	214523	200130	122904	157014	254604	145548	46927	0	0	0	198577	53718	0	189708	153258	172794	165528	55536	0	91237	44119	25674	270390	88233	55722	93375	154638	67106	52433	27744	55932	57178	131143	50121	195276	117804	184650	183473	166351	137538	73536	0	171676	125470	0	134213	140820	160302	141756	35116	10664	169736	37107	108479	187368	210498	250772	323951	134232	196644	0	59334	61929	32639	29854	39605	242924	124008	103322	0	205704	73753	0	143028	63963	Unclassified	0.625	1.6875	0.0625
12	C16 H27 O10 N1	394.17078	394.17126	-0.37316996	394.17062	99280	80877	185214	94800	41877	56627	81759	136361	61658	120501	64785	127758	65402	28776	90174	109403	85378	143969	172863	177069	284220	183861	93945	244824	89108	109608	52764	0	120833	94980	114425	107256	139707	88251	159372	114828	118139	81312	78851	145218	108207	52635	427	0	0	133920	91647	0	96705	107301	85641	174180	51659	0	92558	42967	44400	101082	96669	78342	93645	99030	66470	60264	31479	65520	52346	69393	0	124788	168240	113607	110656	107168	144320	95382	0	71886	156615	64908	146956	83618	84228	81279	13737	42565	154103	103751	111762	110721	142422	142548	164517	84687	109206	0	93543	261997	34322	13023	42349	134309	126296	261066	0	132967	39884	0	84607	74813	Unclassified	0.625	1.6875	0.0625
10	C16 H27 O10 N1	394.17078	394.1712	-0.39809763	394.17062	86535	78756	71316	72444	35903	39436	66197	131072	51137	133047	59676	61123	56774	28276	81659	100685	145686	58630	68088	144675	139393	151731	84913	130680	74066	61905	60136	60069	81926	88436	75841	108296	112953	75323	164148	97463	113109	66967	71152	159615	108699	43176	557	0	0	93291	99369	0	94722	85864	79014	90343	42468	0	61692	35081	31686	111883	75337	66888	75099	70983	53066	48894	30547	50901	38925	86193	42429	117291	96351	90372	79521	97770	65851	84207	0	54900	80547	42819	64866	81332	66195	79200	30217	35051	66039	50319	48729	79740	124488	119928	192602	95883	134901	0	86300	96431	30544	24145	38055	108460	69841	138444	59187	109662	30918	0	66821	59408	Unclassified	0.625	1.6875	0.0625
28	C20 H27 O7 N1	394.18604	394.1864	-0.268888	394.1859	8432	5546	6340	5551	6488	5101	3476	8419	4269	10995	5269	3521	10102	3153	5560	8733	6121	10462	7641	14110	12301	4100	8146	9222	0	11297	2138	5905	5927	4814	6175	6207	6535	6621	10926	8827	8206	2772	6080	8803	8538	4879	0	0	0	5050	5340	0	7547	6265	7671	6473	7774	0	5992	6389	2967	6151	2893	2737	8698	4336	6590	5305	2034	9272	5723	6148	11859	16511	21085	6610	5857	6824	5093	5178	0	4268	4772	2954	3394	2598	3959	4146	6332	2378	5708	4123	4806	6881	10458	8329	8899	3115	4346	0	6842	6426	3876	5624	7276	6567	3726	8013	3552	6261	2812	0	4419	6842	Lipid	0.35	1.35	0.05
20	C24 H27 O4 N1	394.2013	394.20157	-0.40606096	394.2011	0	1645	1870	0	0	0	0	0	0	3190	4912	1632	0	0	1900	3267	2574	0	1687	4524	4243	1951	1602	2583	0	20666	0	5621	1897	0	0	0	1737	2116	0	1357	1934	0	2149	2767	5716	2086	0	0	0	2548	2490	0	0	2450	0	2104	2225	0	0	0	1221	2623	0	2092	2105	1375	0	0	0	0	0	3148	20648	12462	12339	0	1482	1678	0	0	0	1301	0	2826	2038	1572	0	0	0	0	4713	1435	0	6528	2831	3279	3949	0	2457	0	0	1952	1469	0	0	0	1173	0	2170	1517	0	0	1879	0	Phytochemical	0.16666667	1.125	0.041666668
24	C24 H27 O4 N1	394.2013	394.20163	-0.18797256	394.2012	3270	3639	3845	2195	0	2074	1627	1325	0	2328	9125	2117	0	1012	0	4604	2918	1563	2099	2722	2801	2540	1230	4638	4259	24007	0	7054	2978	1856	2437	3795	1674	2770	1633	2608	4117	0	2432	6969	7621	2436	0	0	0	3934	5329	0	1672	2082	3523	1736	1587	0	0	0	1456	1876	2323	1283	3531	2924	0	0	0	1646	4294	2154	25273	10876	20215	2534	1379	1763	0	1749	0	965	3619	5855	1863	4122	2427	5474	1984	0	5444	1792	2810	9385	5620	0	6333	3415	2925	0	2212	3484	1081	0	0	2812	1141	2235	1537	5627	1994	0	4064	0	Phytochemical	0.16666667	1.125	0.041666668
18	C17 H31 O9 N1	394.20715	394.2076	-0.39235565	394.207	4618	2299	5739	0	0	0	7460	2507	3340	0	0	0	0	1603	5823	0	2455	0	2229	0	2853	2802	6052	6101	6403	0	4176	308532	4330	2627	4852	4411	5991	7005	0	3564	5110	6597	3379	2769	6237	3122	0	0	352	4520	1447	0	0	5197	2673	5329	1736	617	4047	2289	1183	7264	0	5950	3869	2577	0	0	3379	2104	2697	7416	0	3495	38821	2378	3764	5515	3256	0	259	3466	4936	0	2085	1840	3065	1434	6589	9339	7123	3619	1282	0	10456	13481	10462	6459	1942	0	4285	3357	0	0	8816	3306	1434	3997	0	3439	9191	0	3141	0	Lipid	0.5294118	1.8235294	0.05882353
18	C18 H35 O6 N1 S1	394.2258	394.2261	-0.300559	394.22568	14715	14345	14228	13468	0	0	0	6367	0	0	0	2660	0	0	3468	0	0	0	0	0	0	67931	12630	16191	3350	0	0	0	6373	130302	10445	5473	8198	6889	0	0	6480	0	0	0	0	0	0	0	0	1289	1230	0	0	29768	15272	11729	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	63848	33455	320166	2031	142903	0	0	62527	24780	36120	0	0	0	0	0	11620	2989	0	624291	3211	5419	330147	2969	4584	0	15160	11324	0	0	0	8051	2675	0	0	47686	0	0	1697	0	Organosulfur	0.33333334	1.9444444	0.055555556
20	C18 H35 O6 N1 S1	394.2258	394.226	-0.4491037	394.22562	17590	16027	19973	14145	0	0	0	13849	0	2056	0	4717	0	0	0	0	2684	0	0	0	0	20121	8140	8838	0	0	0	0	17273	88697	20428	52660	202208	111363	0	28911	101845	0	1672	0	0	0	0	0	0	0	0	0	3355	26360	17214	19685	0	0	0	0	0	0	0	0	2655	0	0	0	0	0	0	5652	0	0	0	51572	78435	171558	27976	70970	0	0	28333	2854	31909	0	0	0	0	0	4722	2732	0	275904	2142	0	56538	0	0	0	13931	15511	0	0	0	165455	1252	0	0	31204	0	0	0	0	Organosulfur	0.33333334	1.9444444	0.055555556
10	C20 H31 O5 N3	394.23364	394.234	-0.32502678	394.23352	5565	5668	3759	3319	1019	2857	953	4510	0	2808	3527	1071	0	0	2548	3532	2514	1305	1325	3284	2165	3424	1402	3789	2406	1210	1564	12156	2807	3017	2481	4182	5607	2808	2197	4543	4318	0	2816	2358	1843	829	0	0	0	3484	0	0	3384	2683	5450	7299	1030	0	0	0	672	6173	0	0	0	0	0	909	1222	0	1089	4822	0	2831	0	2628	0	1828	1353	1935	0	1559	0	31197	1140	606	0	1157	0	0	1807	1426	1818	7925	269620	119409	6138	7905	2419	0	4287	3597	0	0	0	3482	1369	0	0	2534	1351	0	2223	0	Peptide	0.25	1.55	0.15
8	C20 H31 O5 N3	394.23364	394.23407	-0.3410718	394.23352	17209	11506	12522	13895	1940	8300	1970	2343	1100	3552	4929	2062	0	1534	4033	7475	3199	1371	3143	2371	4139	5049	2675	7286	4294	805	4586	84951	5609	4473	4343	4050	6471	5145	4674	4781	7144	2358	3046	3443	902	3939	0	0	0	2613	1336	0	5059	3631	13574	12456	1741	0	1162	0	1059	6602	0	0	4327	1188	0	790	0	1257	2900	3030	0	2714	0	2580	3947	2905	3960	2801	0	2910	2541	418289	2072	529	821	1889	0	0	2968	2409	2382	12009	702662	294075	14330	38730	10236	0	12598	10212	1474	0	0	5564	3604	3623	0	6593	0	0	3831	1047	Peptide	0.25	1.55	0.15
14	C20 H31 O5 N3	394.23364	394.23398	-0.139614	394.23358	0	1606	2110	1351	0	0	0	0	0	0	1771	0	0	0	1814	0	0	0	0	0	0	0	0	0	0	0	0	0	2619	1687	1461	0	2590	1500	0	0	0	1752	2851	0	0	0	0	0	0	0	0	0	1681	1772	2252	2467	0	0	0	0	0	2910	0	0	0	0	0	0	0	0	0	1757	0	0	0	0	1838	2380	0	1250	0	1138	0	0	1085	0	0	0	0	0	0	0	0	0	145187	34967	2741	2786	0	0	1645	0	0	0	0	0	0	2241	0	1824	0	0	0	0	Peptide	0.25	1.55	0.15
12	C20 H31 O5 N3	394.23364	394.234	-0.31300882	394.23352	3366	2728	4717	4925	0	7671	0	2996	0	0	0	1442	0	0	1949	0	0	0	0	0	0	0	1539	0	1836	0	0	39427	2601	1623	4076	3602	5683	2243	0	1702	3240	1299	2664	0	0	2043	0	0	0	0	0	0	3847	2342	3901	3696	2409	0	0	0	0	4003	0	0	0	0	0	0	1147	1553	1637	0	0	1908	1875	1192	2090	2580	2264	1672	0	1430	0	84741	0	0	0	0	0	0	4157	1209	0	5286	378424	173435	3844	13559	3476	0	2398	6567	0	0	0	1666	1401	0	0	3173	0	0	2724	0	Peptide	0.25	1.55	0.15
16	C24 H36 N1 S1 Na1	394.2539	394.2545	0.18507746	394.25397	5317	4660	2430	4066	0	0	4820	0	2554	17337	18594	0	0	1234	0	0	1458	0	0	3777	0	0	0	0	0	1548	17070	27143	0	2234	0	0	0	0	5339	1460	0	0	1924	4235	5811	0	3890	0	773	13911	18492	495	0	1109	4497	6438	0	941	0	0	0	1953	386636	79025	15858	37208	0	0	863	0	0	0	99422	3581	8059	0	0	0	0	0	904	0	1748	56056	0	0	21794	0	0	0	0	0	0	0	0	4277	0	9742	3913	863	2903	12222	0	0	0	0	0	268616	851701	0	0	677	0	0	Organosulfur	0.0	1.5	0.041666668
8	C22 H35 O5 N1	394.2588	394.25928	-0.2626103	394.2587	8672	11195	8017	10021	2065	5899	8399	16938	1374	8877	2854	9171	1960	13300	10356	13852	6481	0	2783	9813	7200	6423	5972	11819	14139	2119	6601	3037	14937	14957	11749	16009	15180	10676	9395	14576	14063	9183	12528	6878	1251	2651	0	0	0	4220	3092	0	19462	13488	8101	10642	2023	0	1210	904	1378	15595	0	0	15440	2971	0	1118	0	1262	3131	13128	0	3664	1704	12165	10050	14981	13844	12662	0	9192	9300	3185	4834	0	0	3989	871	0	40332	3371	2821	41360	30267	0	26656	4084	9473	0	11474	10507	1207	841	0	10839	9206	11399	0	12814	0	0	9022	1396	Lipid	0.22727273	1.5909091	0.045454547
18	C22 H35 O5 N1	394.2588	394.2592	-0.319389	394.25867	9444	11693	7064	8795	6679	3733	8457	9542	2739	2599	7176	5819	0	1818	10222	20614	23095	3171	5817	5302	9930	5325	4113	11975	10091	7474	8367	7974	11953	10436	9138	16588	12632	9138	3726	14133	6393	8356	23760	4768	7712	6782	0	0	0	6303	7201	0	12255	11873	7996	5528	2256	0	3806	4441	3860	17199	1717	5183	15535	2606	2381	2143	3246	3169	4601	24697	5282	4816	11704	10028	9072	10301	23815	8377	0	5599	10405	5838	8495	0	2017	3626	4543	4883	17436	4166	5594	31689	20354	6235	22899	4412	4667	0	12301	8500	2265	5150	4396	16726	3830	7283	5520	17362	3764	0	15949	1918	Lipid	0.22727273	1.5909091	0.045454547
12	C22 H35 O5 N1	394.2588	394.2592	-0.28936556	394.2587	6936	7242	5093	7868	1107	3367	5690	18930	1501	7233	2147	8297	0	2342	10710	20366	6761	1423	5231	12818	7874	0	8919	10703	15851	4828	4477	0	14027	12894	17538	13849	13800	21922	15749	15082	14502	9033	4333	4795	0	3792	0	0	0	2722	0	0	21580	13146	9914	7533	2104	0	2072	0	4389	17877	0	0	0	0	0	0	1694	0	3842	6383	0	8099	5759	17807	12838	21109	6174	12773	0	16007	3124	0	5795	0	0	3527	0	1916	23945	2906	5960	39712	25619	3063	11684	3136	9538	0	7028	7296	1345	0	0	11997	10225	7648	0	16440	0	0	7901	0	Lipid	0.22727273	1.5909091	0.045454547
10	C22 H35 O5 N1	394.2588	394.25928	-0.27945527	394.2587	10214	12369	12462	11322	838	3172	17248	23848	0	8303	4669	15636	1293	2413	17897	19666	9734	1147	4228	17435	11714	10067	12248	18456	19069	4221	15627	5383	18571	21133	19555	20105	17852	14540	10129	21758	18322	14181	11949	7825	1054	3151	0	0	0	5244	3326	0	22314	20008	12047	10077	1786	0	1559	997	2906	22232	0	0	19124	1732	0	1625	1133	1677	3977	16303	0	9059	3658	16577	16537	18610	12562	14632	0	18697	9538	0	7808	0	0	5778	1031	765	40042	2165	4118	47405	37635	4014	23893	5065	6944	0	11349	12677	0	893	1012	18041	14452	12782	0	14957	1082	0	11349	0	Lipid	0.22727273	1.5909091	0.045454547
12	C21 H35 O4 N3	394.27002	394.2705	-0.30904153	394.2699	0	2710	2155	2866	18730	5904	0	1304	2325	0	0	0	3671	27744	0	28905	0	5855	7898	0	0	0	0	7917	0	0	1862	0	1579	985	0	0	0	0	0	2113	0	0	0	0	0	9481	0	0	0	0	0	0	1843	1125	1656	2149	11837	0	2241	4592	7027	10110	0	0	20242	0	0	2270	4151	4992	11362	0	0	0	0	0	0	1205	1339	1287	0	0	0	0	0	0	0	0	3381	1821	0	2452	1699	0	0	0	0	0	0	0	2579	0	1414	892	1536	0	0	0	0	0	9683	0	0	0	Peptide	0.1904762	1.6666666	0.14285715
16	C26 H35 O2 N1	394.27405	394.27438	-0.40489545	394.2739	0	0	0	0	0	0	0	0	0	0	0	2466	0	0	1862	0	0	0	0	0	0	0	0	0	0	0	0	0	58050	38324	3286	16992	0	2341	0	25829	0	0	0	0	0	0	0	0	0	0	0	0	5088	3264	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45590	58238	1886	7180	0	5313	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2330	0	0	0	0	0	0	0	Lipid	0.07692308	1.3461539	0.038461536
18	C26 H35 O2 N1	394.27405	394.27463	-0.28599498	394.27396	1720	0	2471	0	0	0	0	0	0	0	0	3209	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	62688	215477	0	40324	0	22980	0	61363	0	0	0	0	0	0	0	0	0	0	0	0	5853	2542	0	0	0	312	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2329	300532	146693	18738	0	0	5075	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1572	1883	0	0	0	0	3050	0	0	0	0	0	0	0	Lipid	0.07692308	1.3461539	0.038461536
20	C19 H39 O7 N1	394.27994	394.28024	-0.24589701	394.27985	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1391	2596	0	0	0	0	0	0	0	8289	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3943	23676	0	0	0	0	0	5297	0	0	0	0	0	0	0	1765	15161	0	0	0	0	0	7739	0	0	0	Lipid	0.36842105	2.0526316	0.05263158
8	C23 H39 O4 N1	394.2952	394.29547	-0.27109697	394.29507	2308	0	1200	1669	0	0	1037	5660	0	0	0	1822	0	0	708	3597	0	0	0	0	0	0	0	0	890	0	1804	0	1001	2036	2992	890	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2091	6725	843	1117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1811	0	2178	1222	1302	0	1659	0	0	0	0	0	0	0	0	2886	0	0	66991	0	0	5005	0	0	0	0	0	0	0	0	0	2491	0	0	1359	0	0	1070	0	Lipid	0.17391305	1.6956521	0.04347826
10	C23 H39 O4 N1	394.2952	394.2955	-0.3023155	394.29507	0	1269	1367	2746	0	0	7947	22084	0	0	0	5482	0	0	0	13390	1189	0	0	0	0	0	0	0	1813	0	3900	0	3203	12057	13486	1562	1770	0	0	1959	0	0	0	0	0	0	0	0	0	0	0	0	7915	21345	1266	2886	0	0	0	0	0	7404	0	0	0	0	0	0	0	0	0	2880	0	0	0	2993	1136	6176	3289	2280	0	3682	1313	0	0	0	0	0	0	0	2085	0	0	44664	2785	0	5452	0	0	0	2632	1402	0	0	0	0	3345	0	0	1923	0	0	1466	0	Lipid	0.17391305	1.6956521	0.04347826
18	C23 H39 O4 N1	394.2952	394.29498	-0.4521513	394.295	0	0	0	0	0	0	0	0	0	0	0	1004	0	0	0	2380	0	0	0	0	0	0	0	0	2365	0	1196	0	0	0	2013	2294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1822	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1743	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24964	0	0	27640	7846	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1088	0	Lipid	0.17391305	1.6956521	0.04347826
16	C23 H39 O4 N1	394.2952	394.2954	-0.2380427	394.2951	0	0	0	1589	0	0	1264	0	0	0	0	11075	0	0	0	10485	0	0	0	0	0	0	0	0	1508	0	2265	0	8129	8047	4034	0	0	0	0	1554	0	0	0	0	0	0	0	0	0	0	0	0	4161	5680	0	0	0	0	0	0	0	3357	0	0	7296	0	0	0	0	0	0	1258	0	0	0	0	0	1865	0	8367	0	4177	0	0	0	0	0	0	0	0	17847	0	0	29633	7652	0	0	0	0	0	0	0	0	0	0	0	5207	0	0	0	0	0	0	0	Lipid	0.17391305	1.6956521	0.04347826
24	C23 H39 O4 N1	394.2952	394.29547	-0.24312688	394.29507	2133	1695	2017	1680	1462	848	4631	2202	0	0	0	0	0	1210	1826	3578	3554	0	0	0	0	0	0	1696	3103	3576	4321	2699	1918	4678	3000	2068	1122	1060	0	1594	1622	1692	4743	957	1698	0	0	0	0	1679	3191	0	2633	2266	1580	1680	0	0	0	0	0	4245	0	857	2329	0	0	0	0	2929	1301	4477	1720	0	1366	2129	2765	3448	3597	4608	0	859	0	2491	0	0	0	0	1524	0	2762	1160	0	26753	2633	2898	4088	0	0	0	0	0	0	1361	3878	2758	1241	1734	0	2612	1519	0	2742	0	Lipid	0.17391305	1.6956521	0.04347826
14	C23 H39 O4 N1	394.2952	394.29532	-0.3578461	394.29504	0	0	0	0	0	0	0	0	0	0	0	1085	0	0	0	2923	0	0	0	0	0	0	0	0	0	0	1133	0	0	0	1256	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1404	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1335	0	0	0	1667	0	2685	1301	0	0	0	0	0	0	0	25984	0	0	42597	0	0	3734	0	0	0	0	0	0	0	0	0	1912	0	0	2028	0	0	0	0	Lipid	0.17391305	1.6956521	0.04347826
28	C20 H43 O6 N1	394.3163	394.31668	-0.15414506	394.31625	2414	1249	2353	2104	0	0	0	0	0	0	3783	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28739	1122	5550	0	0	0	0	0	0	1262	0	0	0	0	3836	4989	0	0	0	0	0	0	0	0	0	1287	1323	0	0	0	0	0	0	15744	1030	0	6648	1026	0	1205	1200	1229	1112	50788	15193	35408	0	0	0	0	0	0	0	0	4616	0	1538	0	0	0	0	0	0	0	2203	13937	10729	0	0	0	0	1363	0	2245	0	0	0	0	3065	62258	0	0	0	0	0	Lipid	0.3	2.15	0.05
16	C17 H14 O9 S1	395.04312	395.04355	-0.13111746	395.0431	0	2010	1866	4326	5205	2722	1329	0	3689	9474	7782	0	9716	2019	0	0	0	4110	2139	3250	4850	13473	0	0	0	2240	0	3928	0	0	0	0	0	0	12743	0	0	0	0	4569	4307	0	0	0	0	0	4339	0	0	0	2375	2064	3370	0	4447	4784	1433	0	0	1449	0	5650	2981	0	1540	4713	1810	0	3591	5404	8249	0	0	0	0	0	0	0	0	14500	0	1546	0	1711	2993	1518	2785	2190	1535	0	0	4460	0	23409	20542	0	4397	0	3812	6829	2226	0	0	0	0	0	4509	0	1291	9415	Organosulfur	0.5294118	0.8235294	0.0
18	C17 H14 O9 S1	395.04312	395.0436	-0.13005769	395.0431	0	2547	2737	2997	4322	6051	0	0	2290	7186	2217	0	7487	2832	0	0	0	8508	6240	4507	0	12860	0	1384	0	0	0	0	0	0	0	0	0	0	13000	0	0	0	0	4221	3584	0	0	0	0	0	1552	0	0	0	1800	3103	2220	0	2996	3343	1561	1849	0	1642	0	3922	4207	3492	1486	5289	1381	0	4995	3822	2399	0	0	0	1698	0	0	0	0	12080	0	0	0	1657	6039	3736	0	1258	1573	0	0	3013	3165	18005	23247	0	3445	2077	4258	2822	2403	0	0	0	1474	1671	3160	0	1107	7495	Organosulfur	0.5294118	0.8235294	0.0
14	C17 H14 O9 S1	395.04312	395.0436	-0.14389476	395.04306	2997	0	2532	1725	4179	1344	0	0	3097	7672	5425	0	4615	0	0	0	0	2363	2936	0	4006	10988	0	0	0	1492	0	0	0	0	0	0	0	0	8650	0	0	0	0	2093	0	0	0	0	0	0	4529	0	0	0	0	1637	1164	0	0	2896	1059	0	0	0	0	2506	2840	0	0	4922	0	0	0	2141	5657	0	0	0	0	0	0	0	0	0	0	0	0	2356	3116	0	0	0	1992	0	0	2361	0	23125	14574	0	0	0	2271	3779	0	0	0	0	0	0	1658	0	0	5198	Organosulfur	0.5294118	0.8235294	0.0
6	C11 H14 O10 N4 S1	395.05035	395.05093	-0.20189783	395.05026	2245	3060	3002	3438	767	701	0	3294	611	0	0	2806	1625	0	1420	7565	2706	0	879	0	0	14569	5177	6270	1405	0	1862	0	0	1459	2769	1799	1428	728	0	1121	1277	2691	4758	0	2473	1916	0	0	0	3015	6570	0	4263	3681	3972	3521	756	0	2595	524	870	5426	0	2355	7105	0	2192	2230	1119	2192	1358	6680	0	0	0	1359	1017	636	783	1520	0	1828	7592	5993	6584	2760	1148	1061	2292	1145	9410	900	926	42542	0	1235	25374	6930	5914	0	3274	3746	729	1989	1858	1147	1333	1402	0	6277	1004	0	5756	1578	Peptide	0.90909094	1.2727273	0.36363637
26	C17 H14 O11	395.06088	395.06137	-0.06477982	395.06085	0	2787	3296	0	11985	6344	0	0	10478	0	0	0	29848	5191	0	0	0	14932	9122	0	0	4983	0	0	0	0	0	0	0	0	0	0	0	0	2416	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3559	0	4960	0	16700	9258	3759	0	0	0	0	0	24915	13156	0	13229	0	0	0	0	0	0	0	0	0	0	0	0	3179	0	0	0	0	0	18020	0	0	0	0	0	0	0	0	2643	0	0	4121	0	5504	9645	8813	0	0	0	0	0	6125	0	0	20849	Phytochemical	0.64705884	0.8235294	0.0
8	C17 H14 O11	395.06088	395.06146	-0.20784631	395.0608	6164	8712	5954	6787	17661	6610	1029	0	24084	2995	4559	3123	38327	2928	1777	1465	1682	15019	15228	2802	6585	11856	3227	1897	0	0	818	0	0	0	740	1095	1814	0	5879	0	2429	2244	926	1590	5462	5220	0	0	0	2737	2661	0	0	905	3819	6701	11262	0	18488	23774	8781	1592	1121	1347	0	1482	47381	28361	6924	26085	8586	1976	0	0	0	0	886	893	1796	1183	0	1954	5798	3672	4380	1132	0	0	23169	3948	4622	6192	6971	2427	0	0	2404	9025	5943	0	8358	3725	20316	44221	27291	1909	2348	1839	0	2055	21413	0	883	39894	Phytochemical	0.64705884	0.8235294	0.0
22	C17 H14 O11	395.06088	395.06134	-0.052825026	395.06085	6378	6956	5751	3221	20930	10845	1413	0	18385	2540	0	0	35986	11672	2044	0	0	24640	15447	2659	2018	5328	5598	0	1329	0	0	0	0	1177	1207	0	1255	0	2058	0	0	2395	0	1516	2401	3020	0	0	503	1953	4471	0	0	0	4923	5348	12141	238	22601	18177	4027	0	1777	0	2022	0	40817	22122	4234	15596	3469	0	0	1993	1856	0	0	0	0	0	635	0	7393	6129	5707	1317	0	1417	25332	8721	4627	4779	5455	1596	2180	4245	1764	7103	8796	0	5569	3367	10599	19232	23488	0	0	3096	2553	0	15506	0	2202	40079	Phytochemical	0.64705884	0.8235294	0.0
18	C17 H14 O11	395.06088	395.06137	-0.08160074	395.06085	19096	17767	20725	12794	44276	32082	1200	2917	43404	4689	7372	7220	109440	27834	6919	0	3238	57701	49740	6734	9639	23406	15945	3412	0	0	5052	0	0	0	0	0	5720	0	11385	0	5803	9814	2116	2988	7507	9990	1330	0	502	7000	11179	1091	2078	0	17205	13035	32776	0	53475	54847	19122	4612	2928	2903	4185	6753	96963	52541	17569	66075	19044	1515	5075	0	5365	1985	0	0	0	0	319	4871	18372	14491	15947	6941	0	0	66469	24678	12653	15626	15560	3163	0	5781	7358	29293	14901	0	15066	17960	31821	66605	60508	5315	5568	0	8629	4595	42255	0	3574	105374	Phytochemical	0.64705884	0.8235294	0.0
28	C17 H14 O11	395.06088	395.06125	-0.065788575	395.06085	3545	3406	4416	4548	9141	7797	1786	0	10739	1651	0	2696	24021	5667	2112	0	0	16518	10838	0	0	2362	2929	0	0	0	2517	0	0	0	1035	0	1575	0	2706	0	1731	1500	897	1352	1517	0	0	0	0	0	0	0	0	0	4758	4249	4959	0	12781	9454	2995	0	961	0	0	2578	21146	9056	4116	11234	2834	1221	0	1294	1425	0	0	0	0	0	0	1488	4505	0	3841	0	0	0	15049	6948	2581	1554	2466	1192	1159	1097	1635	3864	2585	0	4319	3013	6962	9239	11928	0	0	0	3364	0	7475	0	1010	22696	Phytochemical	0.64705884	0.8235294	0.0
10	C17 H14 O11	395.06088	395.06137	-0.22693703	395.0608	15343	16214	15418	17278	39988	16475	1752	3548	46988	13142	17856	7238	71199	12082	4012	3360	5453	41016	32248	5898	16713	27212	13057	2563	1098	0	2953	0	0	1440	1666	1279	4676	2229	19107	1120	5806	6377	4026	2536	13220	15914	699	0	0	4260	10972	0	1208	2746	16083	14534	20579	0	42802	51532	17266	3288	3396	6698	0	7427	92461	53788	13553	59879	16055	3964	0	2401	4580	2137	1201	1048	2762	965	0	4885	14692	8499	10374	5382	1481	0	57152	14422	8448	18216	16031	10458	0	2780	5991	29196	15023	0	14379	11736	44631	73942	59771	4810	3073	0	0	4975	34106	0	2164	84543	Phytochemical	0.64705884	0.8235294	0.0
12	C17 H14 O11	395.06088	395.06134	-0.30643666	395.06076	108276	106788	71049	79467	200286	85317	16125	26435	234837	55785	116436	40752	305004	59862	28467	26745	30711	199458	201243	45426	83238	152772	60255	18291	6180	0	18555	0	11451	15564	22935	7032	29706	12318	76098	14622	39858	31554	27762	16881	78906	76887	2838	0	0	30228	72519	0	14769	16917	62220	106932	129531	0	200799	224877	86547	23682	16491	22665	0	25731	457824	233775	67230	263892	79380	34272	0	9558	23253	20253	21105	13371	31035	18870	0	27264	86755	45645	67686	22431	3252	0	237825	58491	48936	79401	77481	47844	8151	24780	43423	172854	78645	0	97104	102180	228036	310674	249252	37551	29325	17352	0	40741	180039	0	9987	422496	Phytochemical	0.64705884	0.8235294	0.0
20	C17 H14 O11	395.06088	395.06137	-0.046226583	395.06088	16948	14632	16852	19322	58844	36410	0	4840	53830	7330	6764	5920	140454	32562	11856	0	2914	70740	65874	4090	12358	24928	18272	3958	4284	4680	2534	0	0	0	2706	2696	0	0	12544	0	4846	9868	0	5748	10196	8694	2648	0	740	6206	16702	4850	0	0	18226	15198	34218	966	58062	76082	27848	0	4000	4974	3346	12026	112368	69878	25310	79832	17610	4948	3862	12004	9954	0	0	0	0	0	1244	5778	21916	21908	20814	9496	0	0	83564	22980	8274	10018	16172	3368	0	7382	6140	24900	16236	0	11996	13884	38166	65508	75528	3798	4126	3802	13184	6464	44022	1248	2360	124226	Phytochemical	0.64705884	0.8235294	0.0
14	C17 H14 O11	395.06088	395.06137	-0.15525539	395.06082	38572	26903	33466	34497	90445	37219	4618	7462	96152	23292	23384	11076	162006	34440	12197	8036	12468	82850	82073	11998	29359	62955	31630	12524	3976	0	6907	0	6724	3904	4633	0	13315	4008	30250	2646	14374	18182	9151	12923	32386	23101	0	0	0	10521	26836	670	4875	7807	27795	29413	51289	0	93214	82555	33908	7624	9333	12365	0	20501	179410	103947	29035	109418	38144	8598	0	7335	6676	3581	3747	3545	5603	1558	314	11946	32424	29717	25542	18908	1323	1895	109211	34633	24294	37335	34869	23276	4002	16646	14592	67301	32819	0	37333	29451	71711	113416	96482	13477	12698	4559	0	15131	65193	0	4586	161196	Phytochemical	0.64705884	0.8235294	0.0
24	C17 H14 O11	395.06088	395.06137	0.046925973	395.0609	1864	2337	2733	3745	10738	7847	0	0	11454	1444	0	1543	24242	6838	0	0	0	14867	11821	0	0	3105	3082	0	0	0	0	0	0	0	0	0	1204	0	0	0	0	1445	0	1173	2026	0	0	0	0	2333	3233	0	0	0	4253	3029	7384	0	18100	11964	3210	0	0	0	0	1246	26188	13513	1629	14223	1958	0	1241	0	2020	0	0	0	0	0	0	0	3231	2264	3947	1145	0	1061	19914	5642	5503	2075	2029	0	1850	0	0	2380	4228	0	3248	2543	7374	12092	9071	0	1267	0	2481	0	9971	0	1106	26332	Phytochemical	0.64705884	0.8235294	0.0
12	C16 H14 O10 N2	395.0721	395.07275	0.08616641	395.07214	2002	4440	1542	1740	6025	2901	0	0	7068	0	4208	0	11802	0	2651	0	0	6640	7504	1690	2655	6766	1632	0	0	0	0	0	0	0	0	0	2325	0	4424	0	1717	0	1852	1309	6224	2567	0	0	0	2161	5182	0	0	0	4449	2125	4013	0	11383	9730	2820	0	0	0	0	4032	25161	12907	1782	10641	1342	5073	0	0	0	0	1115	0	0	0	0	1323	3058	0	0	1463	0	0	8373	1647	1469	2949	4091	0	0	2609	4651	10275	2612	0	2947	0	4424	8481	6774	0	965	0	0	1711	2241	0	0	28028	Phytochemical	0.625	0.875	0.125
24	C21 H14 O8	395.07614	395.07645	-0.25564045	395.07605	5036	8695	6205	4629	7825	4393	3324	1995	9364	15271	8087	2956	11094	3906	2796	3332	2163	13084	15028	8637	14837	17564	4204	4829	2128	15118	1702	3263	0	1255	1710	0	2043	1540	22319	0	3495	3261	3897	6608	7638	1955	0	0	0	5544	14096	0	1173	1868	6621	7041	8917	0	8133	5505	5497	1701	3061	3756	2994	5535	10850	10668	3666	8997	4925	2393	17490	13080	26775	1423	0	0	2145	1449	0	1993	7805	14316	9176	6783	3498	5960	12975	7082	7646	3876	6297	4618	2871	2662	3449	20495	26748	0	6591	6928	8241	9729	9648	3282	1677	5846	5966	1966	8636	0	4622	11357	Phytochemical	0.3809524	0.6666667	0.0
22	C21 H14 O8	395.07614	395.07654	-0.16789705	395.07608	9996	12553	15183	11449	12129	10076	3037	1819	17465	26715	23940	3566	8376	5745	6107	3440	4664	19627	18384	13195	19433	23219	9066	5081	6440	24528	4203	10493	3794	2387	1668	0	5254	3112	44406	1513	5397	5564	3529	14969	17170	4579	0	0	0	15732	23469	0	2928	4203	9293	10612	12019	0	20126	11580	11334	4307	5345	8618	4937	11814	21859	14506	9979	15562	8430	3844	24368	18996	36834	2799	1779	0	2140	2371	0	3026	18150	21288	12946	11791	6558	9795	26111	11412	11047	10107	13611	6508	6337	6848	6641	36500	41152	0	11739	12422	13148	20194	15956	6844	2763	7727	10465	6218	13202	0	7291	15243	Phytochemical	0.3809524	0.6666667	0.0
14	C21 H14 O8	395.07614	395.0767	0.029932927	395.07614	3781	3908	3672	3010	3851	1872	0	1988	4858	20882	9608	0	3452	1362	0	2342	0	2976	3958	3435	9159	9929	3036	0	1828	10457	951	0	0	0	0	0	1541	0	22171	0	0	1084	1912	5646	6866	0	0	0	0	4574	6693	0	0	0	3837	4750	2342	0	6691	4153	2218	0	0	0	0	3228	4656	0	1262	5564	2253	1458	0	12448	20680	1476	0	0	0	0	0	0	3759	0	3058	5048	0	3019	6189	0	3762	0	2463	0	0	2386	3406	16335	9438	0	2370	0	4689	3223	4470	0	0	0	0	1502	2215	0	1878	4252	Phytochemical	0.3809524	0.6666667	0.0
18	C21 H14 O8	395.07614	395.0766	-0.12889603	395.07608	17598	14043	10089	16003	17601	5838	3188	3436	18754	70991	36045	2992	19187	10107	5048	3682	4629	24100	22334	29000	28434	32508	3365	4467	5000	39036	2262	24453	3433	2130	3667	0	5473	0	70842	1911	6577	5287	4927	25251	27859	5945	627	0	0	16911	22211	0	3331	0	15684	15926	8000	0	13586	11168	7524	5966	6199	7355	6232	14237	28159	12694	8839	22392	11705	3179	36504	37291	52191	2791	1485	0	2075	0	0	3437	13052	33884	9828	18912	4068	20144	18408	10620	8925	12651	11323	8653	9456	9292	6397	32634	49765	0	14907	12352	20051	14763	15030	5286	2078	3235	11158	3107	13866	0	6061	16775	Phytochemical	0.3809524	0.6666667	0.0
20	C21 H14 O8	395.07614	395.07654	-0.1571163	395.07608	12459	17696	13212	15274	16929	8656	3455	6373	16761	55018	35816	3727	18373	8098	6549	6810	4372	25281	28262	24046	27479	42454	8538	3637	4218	45537	7113	20917	4487	2894	3119	2817	8510	2792	61365	3268	7866	5908	7256	24962	34252	10112	724	0	0	17838	27901	0	3390	2147	19475	19053	13441	0	19508	16233	8735	7108	5417	9192	6881	12513	32790	20576	9791	21549	12059	7551	40631	37005	56161	2504	2198	0	2279	1877	0	4737	18522	39519	15183	16913	6847	20707	20757	15602	16878	12174	13418	10976	13062	8654	11033	45486	43252	0	22348	11989	23543	20192	16104	4634	4631	10693	15950	7858	20912	0	6680	25995	Phytochemical	0.3809524	0.6666667	0.0
16	C21 H14 O8	395.07614	395.07666	-0.055437285	395.0761	6524	11346	6748	9310	10586	3428	1003	0	12612	33519	28586	1834	9535	3281	3638	2964	0	12224	18071	23202	18568	22752	4535	5674	3792	25515	2209	13101	0	0	0	0	2660	1337	55472	0	0	2105	2359	11641	14411	3374	0	0	0	10249	12549	0	0	0	7739	12077	9653	0	6853	7902	4135	3698	1349	4290	0	9384	23145	7074	4461	9480	4851	2800	22896	20173	37234	0	0	0	0	0	0	0	9561	18084	4333	11610	1888	8971	11946	7090	5170	4460	4163	0	5044	4424	0	26052	28842	0	7814	4426	9516	13847	9270	4245	1347	3856	5195	0	6586	0	2344	9430	Phytochemical	0.3809524	0.6666667	0.0
10	C22 H18 O5 S1	395.09476	395.0953	-0.047503542	395.09476	2332	4304	4775	4914	3512	4124	1856	0	5971	4580	3515	2522	2011	3202	2680	1540	1594	2726	3478	0	0	2591	2231	1652	0	0	0	5600	1619	1936	1310	0	3202	2392	4208	2074	2176	3291	2539	3240	5060	3691	1669	0	0	0	3127	0	1607	1966	3376	4684	3781	0	3123	3191	4737	2614	5345	3132	0	7844	5491	6188	4845	3045	6191	3022	0	3256	0	2988	2824	1680	56701	2181	0	2554	3350	0	2469	3930	2437	0	2681	4735	1601	2646	2355	1718	0	0	0	3592	3139	0	2797	2413	5585	4716	3727	1478	3749	0	0	1604	5525	0	2137	5251	Organosulfur	0.22727273	0.8181818	0.0
6	C22 H18 O5 S1	395.09476	395.09515	-0.2734042	395.09467	1193	748	1103	0	1607	0	0	0	1318	0	0	1038	634	0	0	0	0	0	0	0	0	0	0	0	0	0	1275	0	0	0	0	1106	0	0	0	0	0	0	915	0	0	771	0	0	0	0	0	0	0	0	964	0	0	0	0	1219	950	0	0	1211	0	0	0	0	0	627	1231	0	0	0	0	0	0	0	35535	725	0	0	690	0	0	0	0	0	0	0	0	1763	836	0	0	0	0	0	0	0	0	705	1338	1449	1045	0	0	0	0	0	2201	0	494	1265	Organosulfur	0.22727273	0.8181818	0.0
8	C22 H18 O5 S1	395.09476	395.0953	0.03573866	395.0948	2238	2865	0	0	1920	779	966	0	2959	2142	0	0	2424	3046	844	1815	0	1396	1715	2204	0	2201	1060	0	769	623	1342	0	933	0	1186	1774	1348	1591	1962	0	1544	1251	809	2030	3521	2119	0	0	0	0	1973	0	0	0	1933	2458	3266	0	1984	2599	2687	0	2526	2729	0	2968	3370	4249	2069	3331	0	0	0	0	0	0	0	823	68979	0	0	1658	1142	0	1503	1577	892	1163	0	0	0	1886	2425	1835	0	0	0	2437	2869	0	2046	0	3554	3560	0	1421	1666	0	0	1906	0	0	0	3873	Organosulfur	0.22727273	0.8181818	0.0
16	C18 H18 O10	395.09726	395.09775	-0.12697744	395.09723	230130	214088	215980	197786	293286	233726	83527	131347	379784	381348	208361	95815	617828	144745	149661	116678	80410	497021	418743	287439	346382	334389	184344	133826	72888	87012	73754	110191	102487	89625	114229	105540	162526	99606	482104	93406	178279	130140	90816	228775	216584	129585	8306	1668	1618	223968	281975	2221	128696	111865	232787	217997	239550	1279	432831	263529	147495	131651	157407	92039	138697	199624	560335	356023	126296	374595	166708	77303	181809	192670	228668	124268	107269	79202	74807	106268	1530	106175	207419	189232	146329	226210	68964	112337	295732	162508	150993	144278	166489	130564	119338	162887	149581	250508	262003	2554	209193	211485	264230	247951	241719	138262	99465	121401	204169	146591	233754	1627	80324	635510	Phytochemical	0.5555556	1.0	0.0
14	C18 H18 O10	395.09726	395.09778	-0.11386803	395.09723	312294	293177	279079	318330	382995	278044	123136	170525	522058	583502	359973	150338	1417440	181428	189796	166246	120277	562860	497200	422144	540400	548640	226894	180551	94074	122582	112045	193108	127893	128996	153656	154220	213004	135164	754934	130327	219056	174933	134487	335629	378811	179231	8305	1118	843	304301	428634	1316	159873	146912	289843	271547	288828	997	588512	344276	190860	194446	262354	151100	210820	317886	732703	515870	158443	466590	232372	131139	338314	262304	348765	156640	141256	121860	106434	140502	1040	155847	231731	302117	220226	285759	98805	137354	376098	215386	190335	196005	221788	155810	137329	226964	234465	408574	371026	1955	298931	281922	354894	369426	306451	193873	153689	199234	382186	177435	311482	1095	100270	674765	Phytochemical	0.5555556	1.0	0.0
6	C18 H18 O10	395.09726	395.09787	-0.23484814	395.09717	22006	25125	20469	21044	26831	15103	8411	12206	39738	45553	40961	13280	44581	12121	11820	14490	14833	35142	37880	28012	45468	26813	17181	17413	3341	9459	7328	13077	6486	9756	10754	9997	16094	9727	47035	7552	14231	13458	18381	13869	32439	15195	0	0	352	16427	23375	0	9976	11134	25063	21679	22538	0	37028	37053	17897	15247	9223	16628	19385	15242	119806	35600	17126	34791	17754	18218	23215	18298	39659	10756	10520	8317	5684	8317	260	8283	20379	9280	17066	9523	5937	6283	45084	15929	19678	17267	16513	21709	0	10664	16515	29905	19780	0	25076	19068	33626	49056	49785	14844	12319	14784	14554	13452	33338	0	6990	60327	Phytochemical	0.5555556	1.0	0.0
10	C18 H18 O10	395.09726	395.09778	-0.14916529	395.09723	185364	184451	159981	162541	207014	114449	65370	92603	259177	405965	292770	93394	680156	84573	87036	120965	97541	266219	267859	268886	734636	292569	118325	111576	36182	82749	73571	121023	71572	71342	70989	83548	119210	73835	961880	77883	127084	93112	113530	180751	543364	96392	4916	476	540	137981	245537	502	89348	82779	172666	177335	149146	997	287523	392346	102109	123353	94413	114736	136598	154891	676258	499760	100936	246345	112469	113661	209067	140863	245651	92815	77975	59520	71901	81362	0	78167	153103	167767	132549	123098	55988	69029	259481	109537	126544	108847	116295	112512	64625	99995	115953	588126	295270	1332	180806	169988	237559	474780	210659	116021	80583	102830	177191	99247	200590	740	60512	719998	Phytochemical	0.5555556	1.0	0.0
26	C18 H18 O10	395.09726	395.0976	-0.08918614	395.09723	7821	5879	7373	5691	11078	10233	1716	0	12196	11276	0	0	29884	5420	0	0	0	24216	15809	9377	11759	10070	9393	0	0	0	0	2787	0	0	0	0	1876	0	10461	0	2440	3027	2426	5083	8373	0	0	0	0	5331	10628	0	2578	0	6543	6794	5890	0	17391	10410	3989	1688	2807	0	0	6814	23281	12703	3450	11616	0	0	0	5684	6529	0	0	0	0	3119	0	2968	3614	6299	5445	5261	2444	0	11557	0	3077	3615	3105	1348	2573	0	0	4530	13102	0	5778	6230	7696	11732	9894	0	0	0	0	0	7071	0	0	25238	Phytochemical	0.5555556	1.0	0.0
8	C18 H18 O10	395.09726	395.09784	-0.15990487	395.0972	77604	90040	61793	83828	81909	43578	28742	43193	120029	166717	145129	47250	293496	37071	36283	55165	52251	99183	117962	107533	143807	114796	62684	47879	11842	25802	31183	58533	30338	30345	33308	38558	45930	31708	202659	28645	45490	42040	58955	83468	265784	45603	1269	320	308	64531	99705	397	39655	33241	79002	82482	66359	286	124395	96782	51671	37668	37566	57587	60648	62450	359156	126055	58644	104233	57225	60757	80434	64676	139363	38955	34177	27452	26940	34959	355	34754	76306	61317	60679	42234	24719	31684	123818	49954	61309	53922	54382	66898	21938	41821	53864	123119	98448	0	84202	76335	114473	278360	114180	44942	36562	51717	66404	46320	101983	0	25577	304136	Phytochemical	0.5555556	1.0	0.0
24	C18 H18 O10	395.09726	395.0977	-0.024456045	395.09726	7496	9083	8845	9486	18084	11502	2573	3974	22737	13476	6821	5125	36479	8265	5683	4138	2313	28472	19124	10609	14612	15571	6439	4847	3576	5982	2113	2411	2675	1760	3696	1114	4938	2626	16861	2676	4725	3407	1943	11385	9985	4180	0	0	0	12460	16443	0	2340	2231	7622	10092	11134	0	33225	15198	8543	2780	7146	2483	3919	8980	33526	22448	6742	21530	6857	2687	6335	8801	10799	2735	3695	1982	0	2200	0	4790	9472	7227	10691	12647	4761	5151	17800	11090	7369	4411	6707	0	4135	6265	6051	13154	19850	0	9929	7521	13701	17176	13710	3580	4054	3137	11770	2441	13759	0	2184	34051	Phytochemical	0.5555556	1.0	0.0
18	C18 H18 O10	395.09726	395.0977	-0.18417959	395.0972	132137	122284	111695	111521	188946	150095	46076	80194	193722	183137	96241	52896	363808	94075	84370	61524	43393	282697	241449	140236	150720	153421	101088	76466	53622	43429	46274	58985	54768	55192	59744	52701	91008	58117	202697	57696	105807	73393	44896	111230	108380	78648	6005	896	1674	127815	154499	1805	73259	59295	118585	120698	118498	1079	288856	163203	85404	80500	75678	47854	65799	117894	306370	204615	71344	216786	99837	50183	78592	93405	121676	66958	56023	51663	40978	60916	1447	68626	118217	83616	90501	144725	45963	58092	181481	114430	84319	75759	96090	44206	59586	100113	87244	123755	132962	2171	122182	112088	149354	143509	135546	73882	63938	74007	106985	62554	124776	1318	51275	326806	Phytochemical	0.5555556	1.0	0.0
18	C17 H18 O9 N2	395.10852	395.10898	-0.10869982	395.10846	14483	7464	11599	10985	17270	12842	10082	6358	16893	14320	7123	8323	20550	8826	13295	12556	11108	21297	19389	11295	12593	22299	17886	11918	8277	2544	7697	3270	6308	4258	6346	4265	14664	9455	15927	7456	19170	14153	14226	11754	13840	11314	551	0	340	12611	13252	361	9605	5363	13712	11345	14338	329	25803	8486	11064	16821	8587	4444	11085	11953	25630	20922	10741	17152	10464	8749	4599	5354	5226	7886	4926	4169	7410	0	0	8296	17486	14155	13244	10440	4667	4395	19218	14394	13209	14532	12500	13510	9850	13930	30147	15452	10454	0	12489	16638	7793	10948	14214	14938	7201	5960	8029	15629	12541	0	10249	27936	Phytochemical	0.5294118	1.0588236	0.11764706
14	C17 H18 O9 N2	395.10852	395.10898	-0.16206692	395.10843	59101	61355	61603	66861	56490	49831	35624	46683	69408	78227	49772	38755	103781	28065	44469	54815	70601	82814	72569	57695	77468	139388	54134	60262	34540	6108	35886	18365	31680	37721	35542	36344	74561	36872	102214	42099	65015	43239	77297	72031	88291	48568	0	0	0	59789	83958	0	43376	40483	64972	55046	50822	0	101075	54152	36427	54866	53012	46021	71081	82034	110862	80881	35547	75562	52615	68532	18131	28000	38176	33376	32994	33171	47249	32724	0	40736	50371	55479	47498	53905	26559	24927	66862	39392	58028	62416	65093	87716	34592	64657	107231	82607	69599	0	64129	57201	42197	54944	61311	70107	37199	53732	69166	66636	47829	0	37485	112058	Phytochemical	0.5294118	1.0588236	0.11764706
12	C17 H18 O9 N2	395.10852	395.109	-0.15730095	395.10846	80330	82957	90621	84008	77526	62100	52967	73556	92152	103928	80278	59073	126017	27075	60523	73192	88550	123874	126973	97689	127327	196801	81517	84146	36283	10800	39027	30285	54560	50460	63993	57940	103789	55939	170861	51954	81012	59522	77394	116111	187478	62257	1348	0	0	94933	157199	0	61373	60743	86260	90142	70181	0	131433	61698	45732	75595	84487	84618	61923	102691	161713	112940	44268	106787	64443	108334	44379	35101	73221	57772	53277	41242	55988	47242	0	56840	71586	92432	57486	66695	34324	37786	83149	47379	70752	64018	69650	144028	45212	79827	126602	124640	76398	0	85201	88404	65126	73398	69566	92066	52794	59022	99406	91608	58188	0	47715	169066	Phytochemical	0.5294118	1.0588236	0.11764706
16	C17 H18 O9 N2	395.10852	395.10898	-0.14988592	395.10846	37747	32568	36950	40935	33900	27393	33442	27092	41541	40017	22540	32468	59691	22593	37900	45542	70624	45086	52128	21795	47046	70689	41419	52616	19302	4392	41014	9350	26844	22565	34645	28519	53774	28764	59598	27414	60323	22989	89361	38439	44232	29431	1069	0	378	32550	37813	456	42738	24829	43401	39230	40696	0	54950	21894	27492	45961	23928	17665	36501	35277	57144	42942	23148	57741	36520	88827	13626	9558	14247	20895	19966	17890	34283	17729	0	26655	49880	43829	35485	24420	13205	12193	33952	24648	47473	52659	34717	108845	18608	27801	68554	46514	38431	0	42536	51342	22232	28619	29687	68448	27535	20107	19878	68617	28368	0	35043	83791	Phytochemical	0.5294118	1.0588236	0.11764706
4	C17 H18 O9 N2	395.10852	395.10913	-0.25330502	395.1084	7489	9387	5898	8269	8172	4546	1906	4984	10643	6315	9261	6076	13039	3485	3860	5410	7923	10729	10646	7466	11941	12328	5400	6264	1659	1183	3480	0	3494	3945	5681	3072	5783	3761	8404	3847	5642	4267	8370	7079	13049	4390	0	0	0	4982	11570	0	5031	5166	6719	7231	6672	0	10708	11452	4753	4157	3916	6676	6109	5537	20364	12865	6523	10290	5203	8425	3454	2583	4542	5065	3580	3596	0	3537	0	3292	5373	0	4707	3742	2270	1967	12701	5106	4073	8987	6510	8370	0	4045	11247	5887	5605	0	6727	8730	9425	14488	11974	5827	3952	6563	4864	5658	7826	0	2182	22216	Phytochemical	0.5294118	1.0588236	0.11764706
6	C17 H18 O9 N2	395.10852	395.1091	-0.20948374	395.10843	39031	37217	31485	38676	31049	20992	14231	28402	46716	48427	46045	29686	60544	12425	18442	35963	34570	45908	52155	36146	64765	57415	27148	36061	10946	4965	13577	11408	20040	23151	26760	28679	33970	28097	54942	21503	32251	21863	38662	32764	84363	30438	0	0	0	34184	67782	0	31937	25149	37514	40559	30713	0	49625	38312	23068	27604	21645	38688	37190	34642	91370	51400	23245	46475	32443	53538	17959	10373	30341	23615	21944	20044	17559	19843	0	18588	24194	15215	19519	20964	11417	11893	47491	23936	22352	34154	31013	53803	12282	25016	52883	41045	33538	0	40096	35728	28102	44998	43245	36895	25881	31355	40040	37812	31928	0	15172	82534	Phytochemical	0.5294118	1.0588236	0.11764706
8	C17 H18 O9 N2	395.10852	395.10904	-0.19903621	395.10843	81896	85117	65118	84796	61954	40666	30224	62052	77878	110567	90015	60113	109415	19781	49719	60184	75898	79921	105363	85655	133033	132996	64757	71313	18992	8909	32984	28197	45739	43146	49336	51879	68068	48006	142608	48662	70986	46584	87390	103688	170482	53979	562	0	0	82602	158325	0	63509	57825	85552	80966	51527	0	99685	70610	42825	48751	49864	80187	74824	97311	157152	113020	47856	94831	58894	89229	48202	28539	73859	61016	47437	44069	53253	48428	0	45341	60355	55160	47235	54289	31502	34706	77021	33310	46248	70924	62929	103651	24116	71593	98487	102061	88503	0	84993	81887	58115	83960	73602	75935	51823	73638	70392	73408	58952	0	32382	143334	Phytochemical	0.5294118	1.0588236	0.11764706
10	C17 H18 O9 N2	395.10852	395.109	-0.18937232	395.10843	109407	94800	87256	86171	83852	53545	43947	75445	101793	123766	104616	76776	134650	33039	59897	85279	92383	123105	126408	96656	149775	162646	83714	81023	31906	12927	40394	34151	58465	57591	66378	68648	95513	59148	171158	59931	103459	58183	99197	127199	202329	58731	958	0	0	105675	187160	0	73217	67515	98083	102882	66616	0	131301	81757	49417	79701	81228	100956	89774	109043	161707	122247	52397	105989	67255	108262	64883	45293	82515	70440	55842	46195	66119	53152	0	57317	77738	61846	65419	83439	37996	36623	97085	41555	74470	79647	73338	112902	38199	74581	129540	122280	102552	0	95167	95513	72248	84248	77917	99904	62539	84639	130876	93267	68801	0	42850	185933	Phytochemical	0.5294118	1.0588236	0.11764706
14	C22 H18 O7	395.11252	395.113	-0.19767386	395.11246	10681	11990	8064	11276	8071	4793	3787	3945	10273	33525	20272	7597	7100	4210	5639	7720	4611	6835	10466	18121	23013	9900	5479	8180	4276	40629	5336	12843	3245	5522	4787	0	0	4295	33550	4393	7681	5003	8800	16516	16058	4813	0	0	0	12278	16066	0	5652	4636	10034	6568	8883	0	8207	5426	6442	8896	6977	6788	0	9301	9278	7497	5297	8422	6862	5875	25360	43811	56781	5753	4934	3991	3388	5539	0	5151	7499	0	5779	13375	5407	12529	9319	7687	11467	4519	4485	9023	7064	6368	8653	11164	14403	0	10447	8589	7966	7260	8998	4411	5120	6632	0	6668	8741	0	6690	9677	Phytochemical	0.3181818	0.8181818	0.0
18	C22 H18 O7	395.11252	395.11295	-0.16842796	395.11246	44769	44345	38122	32137	41437	19552	12290	10651	29097	113658	94368	9617	37504	24906	15906	13906	13126	36155	46282	94119	95143	56306	20272	17482	13512	171405	14311	78504	11994	9999	13772	9972	19209	8943	125120	8271	17069	14345	12484	57720	64135	16661	994	0	0	42420	50695	0	14971	10325	34519	36262	27403	283	32861	26455	17379	22717	10530	16118	18555	45686	46834	25522	18323	41140	27720	18082	138460	162172	232426	10282	8418	5162	6496	9951	0	10068	29032	46237	21684	43180	15454	49703	42581	22741	25129	22548	19761	24471	28303	27978	28132	54203	76826	0	39285	30972	37592	28734	27876	17866	10165	21435	29266	13032	29192	0	15828	37427	Phytochemical	0.3181818	0.8181818	0.0
24	C22 H18 O7	395.11252	395.11288	-0.21706519	395.11246	14579	18414	15379	17472	13002	6284	2563	2638	16357	44315	41297	3218	17389	7410	5197	5731	8386	23271	26309	26932	33035	26973	6779	6619	3368	79922	3262	26248	1998	3324	3248	2062	3391	2569	55215	2587	6272	4645	5451	24448	36431	6369	0	0	0	26683	29838	0	5259	5188	13930	13202	11060	0	17987	13870	8642	2543	6860	6542	7264	20153	25422	12181	7287	22560	10393	5816	81181	63815	110546	3192	1216	2348	2956	2836	0	2650	15834	25692	13379	20184	5226	24191	29153	13735	12412	7361	10265	10247	5171	7416	7608	34939	39238	0	15601	18542	15853	19054	15119	4499	2469	8180	17713	6007	13954	0	6027	21181	Phytochemical	0.3181818	0.8181818	0.0
22	C22 H18 O7	395.11252	395.1129	-0.21347803	395.11246	28734	34937	31219	35085	28926	20043	8058	10735	39560	94654	92214	7904	30355	18443	12328	10637	13031	37684	40724	65181	81186	55450	19096	15003	12598	182051	9030	71860	7629	6940	9452	6486	10621	8420	121308	5959	15429	12381	11019	56635	69776	14526	0	0	474	50610	56039	0	8820	6628	37005	34330	24744	284	34676	26974	16866	11752	12200	17217	15421	48471	55680	31838	16480	37772	26550	12836	152481	147102	208389	7025	5076	4229	6267	7752	316	7965	28880	55091	20632	39955	12794	49289	42685	22969	26066	16709	21520	21697	20147	25005	17130	74590	78719	0	32472	45321	37236	37248	29347	17352	7328	18527	38225	13784	36747	0	13118	43777	Phytochemical	0.3181818	0.8181818	0.0
26	C22 H18 O7	395.11252	395.11288	-0.23710263	395.11243	5029	6785	6153	3835	6545	4247	0	0	8679	17076	13212	0	9837	4684	0	0	0	10610	9120	9777	15861	11827	0	0	0	30261	1821	8932	0	0	0	0	0	0	21675	0	0	0	0	10370	17708	0	0	0	0	6117	14813	0	0	0	7108	5311	4791	0	9598	6538	0	3115	0	0	0	5557	14086	3684	3270	6116	2466	2672	37817	29840	50195	0	0	0	0	0	0	0	7190	12563	6324	6842	0	7459	11170	0	5865	3281	3542	3385	2222	3557	0	14811	16980	0	6232	0	4130	7544	5408	0	0	0	0	2523	6457	0	3423	6705	Phytochemical	0.3181818	0.8181818	0.0
16	C22 H18 O7	395.11252	395.11298	-0.16983052	395.11246	21456	28336	22705	19266	21868	11371	7522	8336	22842	56556	55263	7623	16493	13215	9627	14144	8993	16683	24992	51712	55467	30432	11946	8915	10200	97742	6704	33782	10783	6865	5827	7398	7306	8024	78357	5820	13032	8828	7903	35150	36955	11901	701	0	0	19398	29146	0	7157	7808	17554	21049	14803	0	13981	12691	10884	12664	10563	8815	14089	23497	30052	17603	11132	22960	11870	8453	74213	92002	121587	10079	6129	7110	7230	7616	0	5030	21300	23986	17827	26271	13854	29152	24651	14078	26725	9772	10865	0	16525	14216	0	33960	34993	0	20583	20520	19215	15389	14432	6756	5697	8857	21092	0	14959	0	12080	20650	Phytochemical	0.3181818	0.8181818	0.0
28	C22 H18 O7	395.11252	395.11282	-0.2870675	395.11243	2718	1560	3593	2210	6230	1057	1003	0	2973	8842	4404	791	4491	1939	0	0	0	3078	3548	4705	6844	6566	0	2096	2256	9751	0	5133	0	0	1147	0	0	0	8956	0	870	1679	1533	3127	6859	0	0	0	0	0	7216	0	0	0	2631	2298	2416	0	3044	2305	1253	0	1081	2178	0	3029	4383	3822	1705	4184	2658	1071	16971	13764	22238	0	0	0	0	0	0	984	3324	8945	1345	4020	1105	3481	6877	2753	4331	1731	1599	1765	3952	2802	0	10499	6731	0	3652	2030	3096	4297	4449	0	0	0	2371	877	2269	0	1181	4230	Phytochemical	0.3181818	0.8181818	0.0
12	C22 H18 O7	395.11252	395.113	-0.17911327	395.11246	5957	5162	2483	5347	3239	2235	3509	4546	6014	7240	7428	2400	4328	1156	0	3747	3411	3303	2675	4484	9655	8587	3722	4891	1523	13466	1926	0	1749	2526	2934	2961	3288	2281	12329	2667	2833	1778	3546	5225	8890	1762	0	0	0	5586	4887	0	2039	2488	3645	3050	3126	0	2558	1893	2581	2784	0	0	0	1926	3600	2912	1717	3279	1617	5111	0	11281	22651	3078	0	1888	3290	5879	0	1580	4802	0	5061	5720	2916	4842	2617	1402	4539	1006	1371	6892	3140	3028	3793	7023	4417	0	6690	4060	3331	2682	2923	2850	3505	0	0	3485	1682	0	2312	2974	Phytochemical	0.3181818	0.8181818	0.0
22	C19 H22 O7 S1	395.1159	395.11633	-0.051069397	395.11588	17229	18135	15513	14988	17337	22563	3324	4946	14874	61437	26790	4137	16971	7924	4536	4888	2255	26031	17724	53125	43452	42842	4081	12590	6513	36973	3144	30502	4454	2349	4334	3789	11172	4446	59775	4914	7037	5815	4741	44518	28190	7427	0	0	0	21828	14146	0	5542	4560	21949	13484	12385	0	18565	18888	7364	10367	12979	9055	6678	28976	13859	19022	5640	19131	9459	5489	33371	65880	53121	3921	2385	2840	6285	2593	257	3329	13486	17289	5755	12891	10413	24990	13517	8855	17534	8372	10203	13207	34731	41224	13432	29104	49196	0	11658	16077	10911	13788	9319	8256	5581	11509	27650	8801	12097	0	5953	22884	Organosulfur	0.36842105	1.1578947	0.0
12	C16 H18 O8 N4	395.11975	395.12024	-0.031352233	395.11972	6312	6122	10190	4360	8091	5227	0	1909	10078	10922	10403	4037	7865	1949	8608	7695	0	8935	11385	15828	21271	0	8370	4017	6085	22663	2356	11807	8471	7565	8363	6352	5571	3904	15434	1852	6832	8782	9657	11979	14261	0	0	0	0	9799	8969	0	3524	3906	7797	2860	6281	0	6805	6119	5100	13102	0	0	0	7465	11402	10934	4015	9980	4674	0	0	24131	32416	4724	5100	4300	5089	3621	0	4924	4395	0	8261	5326	4751	8427	2589	4257	10849	4965	5920	0	2556	4894	12675	8300	7754	0	4843	12639	3653	7080	6289	5448	6721	0	0	8955	7225	0	6327	10253	Peptide	0.5	1.125	0.25
26	C19 H22 O9	395.13367	395.1341	-0.15584175	395.1336	20037	13554	16329	14297	13476	13580	5928	11796	18952	30267	10060	8460	45448	10518	13151	14254	6383	33732	22874	30181	28011	16039	14740	19137	8965	12282	4443	7222	11473	8191	15666	9830	13831	14349	32338	12445	17677	10646	9903	17655	12479	8897	0	0	0	12148	15897	0	12062	8391	14568	16269	10391	0	26317	18670	10288	15788	10064	7626	12792	13947	30872	15475	5116	25254	7035	10085	12045	27652	23981	14403	13942	14056	10432	7828	0	9028	16547	0	16522	10336	9097	9879	22616	10637	12601	7414	12321	10326	11203	14673	16856	11407	14777	0	14963	16812	13096	21211	22382	12679	10659	10305	10049	8905	10738	0	9248	28813	Phytochemical	0.47368422	1.1578947	0.0
6	C19 H22 O9	395.13367	395.13422	-0.2386036	395.13358	67402	71078	34145	76238	40668	33092	45674	76196	31260	56917	81164	56554	29000	28222	50150	40175	68610	55678	34098	95248	62169	37522	34048	86772	14076	61070	42798	26072	62650	68042	61404	34450	69096	51236	113658	33085	59010	25789	83230	31589	45405	41736	1413	810	1332	72712	97708	1155	73266	35996	35323	33730	37684	1363	76360	51484	20213	37376	62428	72892	74998	55316	66192	48078	33586	49534	46138	90598	41220	43377	73289	58912	59574	34352	32294	34474	1195	25964	35175	21099	56972	51648	50510	34090	30548	43696	54550	39368	48148	73192	12983	46180	73116	27311	32402	1712	55186	33299	44076	57334	35517	62236	52284	41115	30926	61024	29771	838	46950	33639	Phytochemical	0.47368422	1.1578947	0.0
22	C19 H22 O9	395.13367	395.13403	-0.20026946	395.13358	94594	88959	85221	88605	103272	87074	42084	77405	113609	153066	65639	53921	143636	48674	86159	76176	45334	142486	102005	128555	129893	87230	85198	83519	65420	88250	36773	50127	78736	62410	74404	72816	77562	72813	136703	73834	95584	64304	43953	93585	72433	49387	7343	0	3500	94682	95161	2862	78348	72170	94902	82768	82644	4152	150667	91944	61095	79185	58238	41893	79337	77840	139633	112589	43520	107278	57748	51228	86937	142942	121382	74125	64103	64480	40657	70561	4117	62457	100029	35511	93539	77183	53836	57893	111982	64581	74437	55301	66970	42860	69209	75448	87373	51763	82862	5393	80705	78114	86021	99644	86575	78722	59569	67587	75088	75388	71753	3547	47655	176370	Phytochemical	0.47368422	1.1578947	0.0
28	C19 H22 O9	395.13367	395.134	-0.23228648	395.13358	13676	13379	9173	12439	13592	13017	6553	13618	15624	27848	12602	8248	23306	6613	11825	11543	8474	23656	16064	31291	27631	12890	11725	16638	10793	19449	5363	11819	10041	9670	11965	10453	11580	11367	25479	13117	12830	9174	9622	13268	12457	10200	2677	1201	0	14088	14811	1467	10826	10459	12240	12080	11102	0	17389	11694	6434	13421	10624	8104	13513	12436	16196	11448	7313	16709	8126	8450	14979	26238	19701	13844	10899	9434	10454	10655	0	7609	11603	6182	11391	9701	8767	10627	14554	7317	11575	7797	9118	7211	12411	11628	14380	7600	12528	1688	14339	16195	6711	11966	11634	10161	10600	13509	12113	10163	8759	1786	7244	21653	Phytochemical	0.47368422	1.1578947	0.0
18	C19 H22 O9	395.13367	395.1341	-0.1299077	395.1336	769339	688543	746591	709785	622678	588786	728446	696666	770181	1460360	614453	790244	1161856	338818	1206114	1052738	291367	1075956	983163	1353296	1172593	864907	619027	1390426	858848	790970	635562	490619	584856	511907	1323138	600218	1364924	581622	1573476	561416	1514422	967332	360035	998493	598771	382380	20720	5123	4394	816165	576285	4575	1302560	555481	738939	737603	1082898	4085	1154820	558802	345119	1270644	611166	324810	586665	707582	1068121	802515	298022	774886	1022260	353039	763643	1371223	1101718	683352	549044	608658	331447	627248	3801	979140	594484	353374	564743	561944	396224	552112	616463	443403	474704	802112	961540	319293	540523	731981	693076	415171	676969	8085	765723	711758	605678	480916	453329	1085676	390553	649823	416802	997232	460827	4966	807250	1089638	Phytochemical	0.47368422	1.1578947	0.0
12	C19 H22 O9	395.13367	395.1342	-0.10163111	395.1336	1664828	1838764	1784636	1723032	1132290	849744	1137194	1598104	1491250	3360342	2030332	975460	1267844	536530	1135806	1649782	1080792	1567950	1757960	3123560	3117878	2112584	1297620	1672428	779932	2158996	1050302	735131	1326132	1369440	1371798	1490026	1559736	1255414	4083358	1324174	1399912	1204366	1307508	2215332	1186439	805344	16463	3707	2724	1769660	1989290	2858	1540012	1525616	1722496	1758368	969566	3225	1874426	963862	368829	1580072	683810	742208	931137	1573124	1814240	1399766	575100	1290010	912750	1302504	1248896	3101578	3369954	1464662	1436328	1438408	1210002	1388864	2103	1122958	1444116	583004	1454362	1333800	1103096	1344466	1202168	755616	1284012	760788	919138	1352658	1044832	1369524	1419072	1299228	1695582	7477	1815054	1822296	1274762	995598	940974	1486854	956668	1642878	685066	1286178	1068298	2514	984160	1775332	Phytochemical	0.47368422	1.1578947	0.0
4	C19 H22 O9	395.13367	395.13428	-0.23315139	395.13358	7198	7527	6004	7081	9638	3900	4260	9268	7677	6425	6338	12526	3532	5786	5097	12994	7463	5967	6567	8621	17224	20578	13392	16010	2982	5043	4648	4128	5406	5612	5846	5670	7851	4137	10519	6963	6517	5682	9735	6120	8913	5252	1124	1191	1917	6917	9540	1714	7128	6152	6635	7158	4860	1521	9191	12946	4413	6318	4609	7657	7477	4460	12748	5451	4660	10742	3962	8637	9946	5359	9129	5684	5100	7909	2725	7402	1325	9074	15176	0	6998	5922	4585	4110	16756	9778	5721	4708	6573	7435	4717	3478	19136	5145	4238	3664	5408	7254	7212	14362	14640	7336	5137	8275	5555	10680	9540	1473	4065	13170	Phytochemical	0.47368422	1.1578947	0.0
24	C19 H22 O9	395.13367	395.134	-0.18602687	395.13358	29901	30867	31170	32409	37347	31485	15237	29743	39903	55869	20783	20047	69200	18724	26708	26112	15326	46265	47248	50046	47597	33824	31256	27931	20585	26808	10423	15309	23299	23128	23938	21507	30696	26446	55067	24271	25753	23743	20897	28218	27140	16948	2734	2243	0	37725	33790	2285	28410	23002	31683	32785	28636	0	51786	32952	16673	30475	22181	13029	30508	20237	59903	43695	15290	46279	21744	13118	22702	51641	42489	28138	24230	20927	14160	19430	0	21229	34572	18758	28944	23535	15699	18345	45242	24326	30638	17405	20228	15851	25787	25695	33035	21993	34852	3593	35873	30354	30699	31225	34568	24189	23627	23430	25201	20719	21756	2517	19672	60754	Phytochemical	0.47368422	1.1578947	0.0
18	C18 H22 O8 N2	395.1449	395.1453	-0.18997379	395.1448	37741	35097	38987	26269	25532	27220	30447	39693	25497	45320	17421	25584	26756	15647	39602	41047	22860	47714	41555	29607	32087	47746	41259	47388	39226	9245	29354	17610	37386	34463	35021	40806	53425	33845	43997	38533	48376	34356	27166	35954	25076	26222	572	0	0	32814	21473	457	36431	31218	31528	34380	29118	421	41302	14052	21373	49111	31802	20377	40713	30690	37443	28271	15217	33532	30872	27512	8048	18776	10715	33549	31773	32707	22928	28199	0	25883	37402	24780	29896	20539	25999	18400	24000	25319	38220	31828	27344	33573	33963	59835	78136	21361	35492	0	38866	37366	16280	13907	20016	47349	24680	40041	25107	38841	23024	347	29007	46047	Phytochemical	0.44444445	1.2222222	0.11111111
20	C18 H22 O8 N2	395.1449	395.14532	-0.13851167	395.14484	17540	19510	16170	13332	13322	18066	13804	28888	15661	17500	8824	13260	21912	6846	17406	26488	10206	28352	18830	9128	10738	28042	20776	23860	23580	11757	12448	4678	21744	21142	13992	15598	32622	19436	24280	8136	24996	15308	18846	18900	11104	12910	1004	0	0	15154	6988	0	19442	18630	14248	21802	13276	1396	12600	7784	8694	22142	18956	11214	27964	10730	15570	19540	8262	20382	15674	17724	3336	6280	0	15524	13040	18204	12117	16910	0	15748	11684	9746	17860	9986	14810	0	7938	10828	17460	15860	20978	14420	17514	28496	37520	11294	14514	0	18386	14274	8362	7784	11946	23298	11596	23082	12246	20036	12578	0	19852	34786	Phytochemical	0.44444445	1.2222222	0.11111111
26	C23 H22 O6	395.14893	395.14926	-0.232438	395.14883	16114	12710	10543	12501	14163	8787	2830	6188	12147	26643	27326	4145	19800	11867	0	6388	0	12546	17712	27842	34931	17131	8275	8886	0	73920	3473	24999	0	0	5272	0	5146	4980	35070	5999	7812	4022	6958	23708	34599	0	0	0	0	17085	22606	0	4860	0	15819	14352	14414	0	13367	10032	7982	6992	6585	5288	6203	15478	17541	12642	3917	22651	9603	7179	77374	54816	97817	5335	3028	0	0	5312	0	3865	14156	14580	12198	12431	6737	17437	19663	16209	12736	7995	7708	8228	6740	8277	5343	16723	20275	0	13798	15699	12285	20515	13597	9046	3353	11718	13437	6265	12257	0	8386	15935	Phytochemical	0.26086956	0.95652175	0.0
22	C23 H22 O6	395.14893	395.1493	-0.21328641	395.14883	90314	89788	77186	96028	83151	50149	26285	44184	76464	178199	189801	30009	68507	61667	43050	54619	39405	84577	85038	188745	195888	93513	48087	56921	44902	454347	29275	165459	40597	33994	38132	38332	48243	35482	214185	36477	53601	36176	36573	133575	162435	43644	2817	0	0	92101	105709	0	44632	35232	81371	85654	61263	1110	68230	67031	46196	54140	41823	46028	54524	103267	80419	58100	38368	78397	67590	37610	383982	410936	495564	41333	30315	29329	24577	34139	665	32664	67028	81379	58532	73237	38214	114953	89591	55100	69708	50835	51621	51424	68651	56410	75859	95565	116924	0	80406	78116	79991	81574	63514	49995	30967	67535	68180	44325	67247	0	37863	81522	Phytochemical	0.26086956	0.95652175	0.0
28	C23 H22 O6	395.14893	395.14926	-0.24422751	395.1488	5962	5442	4555	4520	5412	2928	1467	0	6058	10154	8567	1471	8853	3199	0	3626	2958	5334	7264	6962	11473	6368	4325	3232	3345	20575	1535	9605	2182	3102	3268	1980	2012	1549	13311	2795	2214	1941	3882	5182	11757	2285	0	0	0	5183	6287	0	2393	0	5334	3391	4117	0	4108	5587	2831	2678	1585	2578	3026	4958	7000	3633	2475	7199	3666	3232	26356	23269	37255	2618	2392	0	2775	2182	0	1174	4494	6689	4102	4798	2540	6903	9615	3863	4601	3523	2589	3338	3339	4460	6836	6988	8018	0	4264	6348	5027	8113	7511	2430	1714	3277	3448	2886	5687	0	2455	4534	Phytochemical	0.26086956	0.95652175	0.0
20	C23 H22 O6	395.14893	395.1493	-0.18812402	395.14883	94351	100168	84174	84669	85640	52816	44648	59217	75394	172364	150886	43999	88920	69127	56386	66535	59072	86849	114391	186992	189217	93422	49323	70022	48861	452497	39536	149937	51999	48709	50541	46109	60602	47078	209511	49310	68276	44831	57674	139671	148510	57282	2460	0	0	83112	101698	730	52358	55101	82672	96037	69859	0	67020	65693	52555	66911	47950	54150	65404	89844	88538	61153	39608	94832	63362	60892	359856	424716	553751	46620	48031	45483	36336	55377	0	36272	91693	81515	66390	66756	49553	141439	95089	56638	80511	53759	58606	69985	67662	70335	87641	95986	92037	1115	101374	90169	81658	78349	86253	66933	42755	66477	69380	60853	69836	878	55483	85907	Phytochemical	0.26086956	0.95652175	0.0
18	C23 H22 O6	395.14893	395.1493	-0.21212448	395.14883	69877	70854	62267	59590	53481	35875	36366	59980	51064	113736	100853	35946	56935	36951	41354	69145	50050	56478	67622	125407	108399	67174	51971	65283	32843	262507	44977	92162	43876	47573	42352	58217	57290	45906	106069	46803	46834	41426	49475	99857	106384	36642	2064	0	0	64567	65949	427	48867	53157	73523	68675	44623	384	53382	43999	37169	48760	38655	41624	56633	63253	53373	41044	27958	62957	44630	46966	206910	229518	339690	47919	39521	45067	45863	58668	0	35889	71135	60728	57772	61703	38143	68493	64240	40355	59886	36580	35664	65343	61464	53752	71544	54251	72310	899	71380	67006	49254	49920	48920	58574	37210	57316	39373	48923	38355	394	49603	48941	Phytochemical	0.26086956	0.95652175	0.0
26	C20 H26 O6 S1	395.15228	395.15265	-0.07015293	395.15225	8975	9021	6344	9765	7983	6391	2492	6003	6814	16102	4604	0	12803	4097	0	6816	0	10541	8106	22051	20122	10543	0	8181	0	14876	2936	7811	6240	0	3916	8727	5686	5026	15612	0	5310	2777	5598	13427	10476	0	0	0	0	11934	10313	0	8001	6280	7718	7808	6411	0	4628	0	4125	10760	6037	6170	5732	8873	4536	4066	2629	8814	6023	5456	10561	28154	23834	3144	3545	0	6709	3620	0	4550	4826	6120	4148	4737	6534	10692	5568	0	8047	3993	4764	12739	21948	19420	14378	11148	13478	0	7284	7433	5672	7356	6275	0	3773	6438	5805	6496	4570	0	4479	6592	Organosulfur	0.3	1.3	0.0
24	C20 H26 O6 S1	395.15228	395.1527	-0.053902395	395.15225	22927	22799	16282	19204	16797	10765	3677	6781	15388	55936	26745	4718	20845	7059	7510	12539	8725	19461	19967	58558	53211	41345	7547	14143	23336	45621	5239	24522	8806	4266	5279	9099	13156	7863	54280	7580	9213	6550	12710	44509	29353	6424	0	0	0	26759	23633	0	11690	3883	19591	21641	11494	0	10624	9954	4968	11724	23815	10274	12918	34793	12600	10441	4468	22198	11503	12129	32697	70953	43745	4993	5808	3618	5943	5618	0	9364	9000	45426	11022	17918	15684	22789	9950	8035	11544	8366	9732	19041	57797	57777	23556	29724	52795	0	19391	24712	11861	9152	13274	26650	5137	22442	20505	11566	8771	0	9014	16251	Organosulfur	0.3	1.3	0.0
10	C17 H22 O7 N4	395.15613	395.15652	-0.3460171	395.15598	9579	7065	5651	6480	3678	3676	6719	9221	4002	4376	2320	6726	5688	2498	8636	11305	8314	7867	9091	5585	4571	9933	7549	12205	8478	0	5797	0	11021	8360	7028	8803	11058	7768	6501	7477	12290	6782	12717	5241	3274	4583	0	0	0	7963	2728	0	9262	7775	8464	8200	5259	0	5937	1744	4078	12461	8727	4922	10465	2637	5574	3851	4461	8306	3526	10162	0	0	0	10384	9080	7009	8563	7920	0	6581	10040	0	6896	3502	6448	3908	3901	4900	10735	5631	5951	13921	13481	13949	21517	5356	4172	0	7530	6473	0	1461	2763	10412	6036	7888	0	11147	3449	0	10987	3680	Peptide	0.4117647	1.2941177	0.23529412
4	C17 H22 O7 N4	395.15613	395.15674	-0.29837057	395.156	7548	7526	5449	6109	2957	2734	4277	10395	3499	4253	3378	5148	4526	1717	6289	9778	11108	6253	5944	3712	3774	10643	7272	9339	4317	399	3235	4032	4470	4749	6566	6105	8906	5627	5214	5770	7854	7656	12020	4415	4834	3981	0	0	0	5749	6188	0	6301	6780	6688	5024	3688	0	5442	3250	2844	9157	4951	6572	9329	4615	4501	4312	4587	4664	4076	11244	0	0	0	7397	5123	5940	3398	4617	0	5110	7504	28147	5173	3245	3887	2392	4972	4626	6308	5905	4660	17035	10424	7931	17867	5247	4258	0	6345	7184	3664	4716	2682	6855	5144	7952	0	8868	2999	0	4432	6918	Peptide	0.4117647	1.2941177	0.23529412
12	C13 H23 O3 N8 S1 Na1	395.15842	395.15872	-0.10182912	395.1584	4306	3216	3494	5263	1717	3551	0	7463	4267	12519	7585	3327	1972	3118	4032	4817	4836	3735	5432	14111	17247	0	3401	0	2764	18139	0	14988	7433	4159	4046	0	6810	3416	13050	4599	4092	4395	6290	12195	9173	3009	0	0	0	5460	11531	0	4787	0	4870	5002	4668	0	1811	1343	3006	5895	0	0	0	0	1559	5613	1966	3138	5870	5862	0	18740	25024	5753	6741	6718	7232	3984	0	6250	6357	0	5340	4874	2745	8707	2431	0	5127	3797	2270	6081	5217	8494	6887	3945	6629	0	0	4085	4259	5285	2765	4736	3410	7996	0	4972	3270	0	5626	2407	Peptide	0.23076923	1.7692307	0.61538464
14	C13 H23 O3 N8 S1 Na1	395.15842	395.15866	-0.006958422	395.15842	12035	11187	15318	15533	3331	3188	6980	10440	10012	23223	10634	6450	10887	0	7325	10548	5995	8914	8218	26184	20805	0	14074	7087	5420	26768	7340	15088	10203	11101	10312	8738	10719	7643	21573	13485	8620	11483	9467	10838	14018	5839	0	0	0	13796	13045	0	11435	8570	9889	11884	6573	0	8886	7857	5482	11356	0	0	0	8428	11179	7535	2444	9356	5776	6760	13921	43175	32618	9898	13215	12029	5281	6257	0	9443	8050	0	10182	7225	10843	10423	7844	6350	8426	2983	5215	11308	0	8182	12924	4786	8579	0	14446	8024	6034	6803	6123	6820	4493	9725	0	12519	5893	0	7982	8473	Peptide	0.23076923	1.7692307	0.61538464
8	C24 H26 O3 S1	395.16754	395.16782	-0.44088137	395.16736	0	1800	1782	1485	1074	0	3013	2143	1281	0	0	1766	0	0	1976	1439	1642	1084	0	0	1140	0	0	1198	1608	774	2401	0	0	2326	1508	2387	0	1918	0	2780	2930	2755	2075	0	0	1029	0	0	0	0	0	0	1655	0	0	0	0	0	0	1152	880	0	2416	1642	0	0	0	1462	0	0	0	2877	0	0	0	1911	0	1928	33605	0	0	1916	2436	0	1211	575	1146	0	0	0	1352	864	671	3184	0	0	3626	0	0	0	1426	0	0	1191	0	1406	1868	0	0	0	0	0	1015	1047	Organosulfur	0.125	1.0833334	0.0
10	C24 H26 O3 S1	395.16754	395.16794	-0.3803255	395.1674	1594	2556	0	0	1085	1253	3079	2174	0	0	0	1783	0	0	1114	2762	1786	0	0	0	0	0	3039	1661	2488	0	2120	0	0	2531	0	2623	3061	2602	0	1683	0	1569	4697	0	1278	919	0	0	0	0	0	0	0	1818	2964	2369	1532	0	0	1402	1254	2211	4736	0	0	0	1209	0	2630	0	2424	2560	0	0	0	1397	1828	1964	28243	2184	0	0	1241	0	2769	1003	2204	1953	1792	3695	2084	0	0	3302	0	0	2647	0	0	0	0	0	0	0	1002	2469	1483	0	0	0	3040	0	2158	0	Organosulfur	0.125	1.0833334	0.0
26	C20 H26 O8	395.17004	395.17044	-0.22500923	395.16995	38981	34112	37108	36036	33983	30052	11150	45706	35856	59160	17528	25798	80528	21870	38737	42487	27220	62802	53470	58347	62086	36502	42951	53920	27916	32206	11551	23354	37866	36162	33545	32035	41464	36022	62665	32677	46430	26643	24083	37611	24794	25522	0	0	0	30816	24281	0	42910	28755	40204	37050	28544	0	52408	39523	21488	44551	25494	15481	44726	19272	56871	39605	13791	43284	24214	22192	38388	70830	57333	37875	33148	37254	27369	32630	0	27236	36681	18838	35658	14703	22434	20006	37290	23894	36951	24536	25836	24962	34503	35490	53465	18837	30459	0	35615	38400	20817	40006	43350	34637	24169	29530	15612	32611	25732	0	23909	57318	Phytochemical	0.4	1.3	0.0
16	C20 H26 O8	395.17004	395.1705	-0.14098087	395.16998	3463142	3843774	3812356	3657902	2630372	1177352	2583282	4132884	3210874	6471438	3352604	2474470	1809770	832581	3384350	3823996	2625938	3848278	4283208	6936272	6414794	3546380	3702636	4335410	2917122	2600134	2229014	1490106	3551100	3594758	3705416	1914457	4153530	3044406	6837762	3770854	4195548	2808852	2929208	4442392	3294988	2331122	33821	8008	5788	3359980	1313033	7931	4185654	3915644	3817588	3790044	2591744	10333	2010209	1275314	1912030	4029810	3112660	1203656	1970017	2791374	1871490	3201672	728655	3118098	2452488	2645910	2039486	7362016	5819630	3827702	3755854	3911728	1410632	3665928	4768	2651152	3694254	980878	2986450	2347776	3045572	3017470	1466027	1978826	3186156	2164512	2597380	1632795	1583884	3771202	2417011	2147616	3219270	17233	3765580	3820128	1146212	1212138	1267199	3735814	2353808	3873572	841085	1768227	1175246	8305	2812670	3861206	Phytochemical	0.4	1.3	0.0
22	C20 H26 O8	395.17004	395.1704	-0.18580395	395.16998	383984	376020	350329	356734	282647	309220	188350	405165	392349	681104	232434	198759	479705	198745	353720	341023	170245	517604	424309	610636	549534	394564	359127	416587	324490	346502	148096	221406	378388	308198	341063	350486	405882	320809	675777	335585	473733	273234	189621	398267	212693	199024	10814	5574	5193	333353	228279	4865	351413	318926	365495	368240	253360	5786	553613	334560	199968	355187	330695	143601	349263	289132	480261	390708	147050	380203	245250	203797	300812	754797	446658	380937	321942	349702	176738	332158	3823	288912	368376	134273	304637	192414	234094	226056	322513	209739	290946	188979	252541	221424	369335	394996	454746	185546	302163	6470	353799	365808	235415	338958	303209	345551	231940	356054	196780	347180	223452	4961	241132	566565	Phytochemical	0.4	1.3	0.0
20	C20 H26 O8	395.17004	395.17044	-0.15801616	395.16998	1227841	1195888	1240089	1033364	938633	994977	629070	1328112	1223793	2447904	849923	686394	1568096	625880	1200090	1036050	546286	1589116	1586848	2304671	2069057	1240724	1072751	1299746	999252	1294132	548198	809496	1339240	1094044	1130878	1156630	1328988	1104401	2477448	1086835	1538024	825991	550841	1548940	743776	740665	26655	9297	6528	1140332	646583	8021	1187200	1021853	1183495	1209199	879984	9256	1714941	958960	591359	1214929	1224050	463130	1113477	913467	1457135	1278502	442841	1160776	836321	588071	1102879	2512656	1525637	1251612	1138336	1217020	642005	1046942	4231	974668	981278	499256	853868	577598	803682	781218	867334	640901	830782	619880	830996	627711	1223050	1341671	1536328	616661	876675	13793	1254012	1247148	732413	798362	826596	1169992	776037	1328925	630179	1008984	680053	10026	725605	1681137	Phytochemical	0.4	1.3	0.0
26	C18 H26 O4 N4 S1	395.17474	395.17517	0.3915714	395.1749	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6518	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3361	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25674	0	7785	0	0	3155	7108	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7784	0	0	0	Peptide	0.22222222	1.4444444	0.22222222
28	C24 H26 O5	395.1853	395.18567	-0.2535261	395.1852	8861	7643	8372	8523	11426	4493	5011	6007	8857	9879	10634	3357	11945	6953	3593	9932	6398	8329	11220	11220	14231	9426	7272	9773	4114	28368	3556	13076	6067	8217	4602	7367	9327	6660	16144	7195	7900	4757	7679	8972	16247	3856	0	0	0	6973	10073	0	9259	4979	9757	9389	8976	0	9411	7671	4154	7355	4467	4724	7175	5338	8686	7459	4971	13058	11878	5273	28436	23862	42224	8044	5731	8451	5268	5802	0	5114	7795	7763	6796	6207	4169	9903	10610	4606	11773	8821	6587	7864	7177	7017	9365	8025	8428	0	8058	7990	5802	12448	12153	8365	4471	9622	4765	8484	8103	0	6221	8451	Phytochemical	0.20833333	1.0833334	0.0
26	C24 H26 O5	395.1853	395.1857	-0.19746728	395.1852	41218	41795	41768	35651	43807	25347	14497	36971	39018	52652	79982	19534	50409	26438	29835	31279	20993	44831	57631	76170	77148	44175	24076	36759	25384	203588	15321	78539	36108	31175	31692	28476	31197	26626	73769	30174	39776	22171	23789	68527	71814	27308	0	0	0	43206	42060	0	33489	36277	42207	42618	36507	0	37833	40332	30734	38147	32347	25107	36496	46278	44446	32230	18421	48710	49235	28571	185974	125496	174014	26548	26066	23770	16712	32141	0	23297	34511	38279	26963	37000	27046	67988	53677	26685	40053	33146	28225	29413	26591	35658	48975	43639	41478	0	39330	45988	37256	47247	45043	40307	16368	42014	33038	35255	35870	0	28184	37709	Phytochemical	0.20833333	1.0833334	0.0
22	C18 H31 O4 N2 S1 Na1	395.1975	395.19788	-0.3599769	395.19736	4332	5940	7464	5429	4802	3650	0	6738	4881	14394	6499	2268	7411	0	6311	5691	3268	7822	8500	10951	14797	9423	6544	7064	5639	10491	3870	5230	7720	8633	7644	6343	5504	8111	20885	10358	5938	4310	3388	11448	4546	4971	0	0	0	6205	4267	0	5108	6490	5925	5697	5538	0	8517	4815	3687	7778	6699	4089	8035	3836	7231	0	1900	5719	3415	0	7287	16043	11006	7413	6342	5188	6283	6513	0	6347	5749	4640	3680	5540	3565	3965	3437	5721	2914	4457	5006	2720	0	7153	9653	3292	6654	0	6539	9078	4923	4465	5187	9043	3492	8774	4807	6900	3008	0	0	9384	Organosulfur	0.22222222	1.7222222	0.11111111
24	C20 H30 O6 N2	395.21765	395.21774	0.006584184	395.21765	3713	2928	4706	4111	3780	8682	0	3579	1340	1582	2527	0	0	4969	0	1497	1951	4037	4637	3143	0	0	1485	0	0	3687	0	7044	1402	0	0	2431	1753	1258	0	0	2041	0	0	3111	0	13426	0	0	0	0	0	0	1256	1851	5851	4187	0	0	2471	0	29768	3198	0	0	0	0	0	0	66818	2133	6305	0	0	0	2633	3530	0	0	0	1164	0	0	0	0	0	0	0	0	21267	256696	1461	52275	8949	0	25954	146503	0	0	1356	0	4853	6025	6283	4565	38296	0	0	0	0	2925	46421	0	1098	0	Lipid	0.3	1.5	0.1
20	C20 H30 O6 N2	395.21765	395.21802	-0.30592242	395.21753	5548	7030	6446	7198	4438	3945	6169	12097	1914	3063	1713	6046	0	2517	10295	20970	8523	6048	8384	4152	2722	11536	5939	10193	9775	0	6249	3261	12314	8946	6313	13125	13799	10237	7055	11256	15120	7466	10711	5131	5408	6263	0	648	0	6774	5767	0	12143	7220	7748	4407	3617	0	4409	3017	3343	14431	9860	4825	11730	2257	3782	4552	0	4193	6862	6721	0	3351	1800	7990	8706	8226	11267	10423	0	8448	7689	6944	3991	3516	7479	0	3262	2777	12742	8286	4975	14680	25220	15241	22634	5183	8446	0	9579	6519	2940	1266	0	18820	5682	6553	3008	13362	2514	0	9951	5409	Lipid	0.3	1.5	0.1
12	C20 H30 O6 N2	395.21765	395.2181	-0.31832406	395.21753	10714	10623	11569	9196	3750	7267	10012	21205	6198	6961	2519	10238	5757	3468	10765	13852	13630	6745	10312	14735	14998	20330	7807	13960	14556	2688	7403	0	17773	12195	17222	14472	17410	12157	16866	15909	15014	9622	16178	16478	6966	7510	0	0	0	12946	7387	0	16688	12870	11714	14858	8172	0	5756	4190	3166	26683	0	0	0	4430	6001	2846	1992	6781	5018	20582	0	12916	7258	14446	15123	11824	11017	13162	0	12086	9603	0	11059	5671	7193	7241	1161	3898	16643	6174	7857	30923	29040	24326	32686	6960	10855	0	17814	12350	2088	3172	3232	13133	11390	10332	0	17656	1990	0	13778	5690	Lipid	0.3	1.5	0.1
4	C20 H30 O6 N2	395.21765	395.2183	-0.27131802	395.21756	8261	10194	10240	9194	3429	4102	6384	13869	3172	8473	3604	4396	4508	2402	9113	12154	9953	3939	7227	13441	11351	11532	7977	14646	10322	3819	5906	5526	10758	8532	9844	10701	12004	8201	12429	8726	12849	6238	11459	9398	6658	3827	0	0	0	7788	5728	0	10848	12188	9694	7361	3971	0	5051	2130	1594	12949	3478	1871	12953	4771	3781	4877	1913	4887	3832	11366	3520	7717	6764	9818	8993	10297	7883	7344	0	7524	7361	7759	7027	2517	4670	4948	2369	3610	7705	3555	4935	12222	17960	14703	21295	6111	10361	0	7188	9028	2025	2197	1671	10929	5262	14571	4899	9897	2238	0	8394	5690	Lipid	0.3	1.5	0.1
22	C23 H31 O4 Na1	395.21927	395.21973	0.13714845	395.21933	7213	4332	5354	5877	11914	32645	0	8453	0	0	0	0	2299	13928	0	6275	0	8083	4297	6161	0	0	0	4183	0	0	1988	4553	3729	0	1988	0	0	7996	0	4004	0	0	0	15024	0	33639	0	0	0	10028	0	0	11339	3060	3907	6516	2685	0	0	1708	37397	1868	0	0	8625	0	4198	0	102965	4248	11132	0	0	0	0	20877	0	0	0	0	0	0	0	0	0	0	0	0	23078	322813	0	112584	12704	0	31092	108680	0	0	0	0	0	8644	8959	2071	38097	1492	0	7180	0	0	77090	0	0	0	Lipid	0.17391305	1.3478261	0.0
16	C25 H30 O4	395.22168	395.22205	-0.34633106	395.22156	8429	10770	5743	7258	3007	2260	12315	8662	4005	2843	2001	9446	1927	3105	7393	9197	22437	0	4284	6313	5267	6045	7694	5477	9626	5175	17677	4196	6658	7884	8992	10624	8344	2308	3334	9513	4976	6438	19573	5036	7459	4491	0	0	0	2757	8064	0	7385	6861	7565	5013	3654	0	3145	5470	4980	8677	5794	10085	0	1706	3221	3537	5946	1550	3003	22846	5393	2658	10711	4610	4519	10702	15774	15336	0	7460	16080	3934	8538	3183	12188	3063	6898	6794	15558	2736	5991	0	7836	6693	0	5155	4064	0	6457	9124	4244	10025	7703	6804	6186	6202	0	0	5703	0	13915	0	Phytochemical	0.16	1.2	0.0
12	C18 H34 O9	395.22757	395.22787	-0.36865476	395.22742	4032	5740	0	3085	1234	2953	0	0	0	0	6799	0	0	858	2989	0	0	1248	0	0	0	0	0	4148	0	0	14950	18149	0	0	0	0	0	0	1675	0	5200	0	0	3925	0	0	799	1411	470	3368	12332	958	1860	0	0	4036	0	548	0	0	0	0	0	0	18155	3641	0	0	885	2023	0	0	0	8015	31820	1922	1370	0	0	0	373	0	0	23558	0	1672	1307	0	0	0	0	1073	1179	0	9513	4468	0	0	22566	2083	0	3158	1507	885	0	0	0	14650	0	0	0	1226	1792	1292	Lipid	0.5	1.8888888	0.0
4	C19 H30 O5 N4	395.22888	395.2295	-0.37390772	395.22876	741	0	1718	0	0	6906	569	1578	0	0	0	0	0	0	659	752	1130	488	430	0	0	976	524	1368	1213	0	0	0	0	0	807	0	0	0	675	831	1008	739	0	0	0	544	0	0	0	0	0	0	0	1082	981	1110	0	0	0	0	0	1044	0	0	1260	0	0	335	0	516	0	0	0	0	0	663	965	648	0	949	0	504	701	7022	0	0	0	0	0	0	751	571	507	1508	46089	14870	4800	3838	0	0	0	1692	0	0	0	1299	855	0	0	1368	0	0	692	0	Peptide	0.2631579	1.5789474	0.21052632
2	C19 H30 O5 N4	395.22888	395.22946	-0.2523451	395.2288	1504	1169	1182	1453	333	0	1075	859	0	377	0	787	0	0	1580	677	1012	466	523	0	535	722	1239	929	1023	0	0	6532	1447	509	1388	1147	1596	1392	548	1105	1213	1107	2319	315	0	0	0	0	0	0	0	0	858	614	993	1287	548	0	585	0	0	2137	263	0	817	0	0	417	0	0	0	795	0	296	0	753	714	649	483	1231	0	696	1195	34558	560	0	0	0	0	478	667	499	0	2824	33101	10838	2855	2577	0	0	1487	1030	0	0	0	1186	1106	584	0	1390	0	0	929	0	Peptide	0.2631579	1.5789474	0.21052632
0	C19 H30 O5 N4	395.22888	395.2292	-0.52534676	395.2287	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7858	683	0	0	0	777	0	0	0	0	0	622	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	836	0	0	0	0	0	0	0	0	0	0	0	15114	0	0	0	0	0	0	0	0	0	0	25758	3799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2631579	1.5789474	0.21052632
16	C22 H34 O6	395.24283	395.2432	-0.328278	395.24268	9141	10169	7345	10923	6383	2710	15120	5472	3705	1938	3462	9433	4272	7384	7977	15490	25236	3097	5161	2418	4171	2529	5797	6393	9530	2461	16339	2999	8756	15559	8339	11015	11224	4735	3070	16899	8322	6949	34270	0	2299	6422	490	0	0	1711	1559	0	15793	10583	8395	6607	4028	0	6845	6455	6079	14706	2336	4613	11517	0	6035	5624	6371	5676	5392	23339	2604	2733	3461	4873	7096	19301	29079	11035	0	8126	16569	5208	6359	3427	22033	7783	11831	8068	17936	5107	7403	0	7513	7205	0	3248	3427	0	5216	8244	5024	15102	14327	13998	5256	5832	0	0	8825	0	13174	5003	Lipid	0.27272728	1.5454545	0.0
20	C18 H38 O5 N2 S1	395.25742	395.2576	-0.10878856	395.2574	7986	8007	8391	6080	5250	1261	11128	7432	4795	2879	5430	6495	2594	3701	5308	7114	27585	5999	4139	0	2639	3003	4566	5798	6983	3797	18410	3583	5517	5795	5730	5852	5005	2894	0	6768	7159	8625	30509	0	2205	3045	0	0	0	1575	4516	0	5459	6361	7335	5272	3698	0	6396	7680	7896	6975	2534	10405	4219	1357	22200	3044	4583	4157	6353	35727	2719	3243	5621	1511	3796	6599	21230	7301	0	7068	11510	7452	7838	4676	105836	0	8420	7093	18436	4722	2043	19871	2891	5479	4688	3544	1894	0	4503	7344	121900	10882	10144	10663	5356	4304	2624	3959	10994	0	11199	0	Organosulfur	0.2777778	2.1111112	0.11111111
20	C19 H38 O8	395.26395	395.26425	-0.17557079	395.2639	0	0	0	0	0	0	0	0	0	0	0	0	2174	2620	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1095	0	0	0	0	0	0	0	0	0	0	295	0	0	2476	0	0	0	0	0	0	1691	9820	26641	53185	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1406	0	0	0	0	0	1149	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.42105263	2.0	0.0
22	C23 H38 O5	395.2792	395.2795	-0.32370964	395.27908	6172	7540	5439	7196	3497	4022	96193	5126	1506	1786	2446	2764	0	13680	6288	7711	15765	0	4345	0	2346	0	3067	2193	7496	16983	82006	10352	7419	8291	2295	9265	5848	4964	0	9979	6996	4474	18018	0	7065	6439	0	0	0	1728	0	0	7091	3485	6525	4492	4097	0	2123	4315	4178	7752	1565	3830	8138	2261	5740	1802	15638	6526	11728	15001	0	2302	4653	3024	7017	10517	16713	5873	0	2645	3285	15608	1284	4607	50691	57144	3348	8924	14444	4147	7838	25252	8076	9174	2884	1832	0	0	7964	9670	2765	5550	8408	9066	1492	3249	3557	5476	4923	0	7982	2898	Lipid	0.2173913	1.6521739	0.0
24	C27 H38 O2	395.29446	395.29477	-0.33614042	395.2943	8913	8293	8717	7863	3111	1132	17273	18462	3408	0	3005	12666	1633	2745	15934	28540	64128	2164	2994	1997	0	0	7459	3831	15043	3148	16648	3420	21459	31325	14738	17677	10306	7833	0	25875	6136	20111	65991	0	2391	5485	0	0	0	1138	2784	0	18501	25243	10272	8860	4392	0	3552	4420	7569	15978	1390	5320	13272	0	1533	2856	7977	1575	4889	80220	0	0	0	3384	10804	36360	39217	27613	0	8377	28701	8219	13974	1514	3771	1149	7495	10389	62179	4823	6866	80276	5021	2946	10438	2781	0	0	8223	10404	5894	8745	11756	17703	11961	4420	1371	5976	7695	0	23999	1324	Lipid	0.074074075	1.4074074	0.0
24	C24 H42 O4	395.31558	395.31573	-0.27457836	395.3155	2480	2547	2323	1178	0	1067	72842	0	0	0	1875	1495	0	18931	0	1388	3219	0	0	0	0	0	0	0	0	5007	65012	9211	0	1426	0	1473	0	0	0	1385	0	935	5099	0	1715	3568	0	0	0	0	0	0	1795	0	2269	2873	4199	0	0	0	1895	1144	0	3193	3542	999	3715	0	14092	0	3868	4533	0	0	0	0	1269	0	3912	1810	0	0	0	5582	0	2037	10594	14482	0	0	4904	0	2793	6076	8161	2098	0	0	0	0	1992	3267	2351	0	0	0	1797	1757	0	0	0	0	1032	0	Lipid	0.16666667	1.75	0.0
16	C12 H6 O11 N1 S1 Na1	395.9632	395.96344	-0.8625543	395.96286	0	0	0	0	0	0	0	1945	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3273	1495	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6953	0	0	0	0	0	1608	0	1622	0	0	0	0	0	0	0	0	0	0	0	0	0	29913	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.9166667	0.5	0.083333336
14	C16 H13 O11 N1	396.05612	396.05676	-0.044236824	396.05612	3809	3315	1997	2030	5983	1659	0	0	10398	2500	1588	0	15382	0	0	0	0	6640	3961	0	0	0	1161	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3028	0	0	0	0	0	0	0	0	2301	2019	2371	0	5061	8679	2010	0	0	0	0	2619	22469	9968	2456	13401	2357	0	0	0	0	0	0	0	0	0	0	0	0	0	1466	0	0	0	4853	0	0	2958	2527	0	0	0	0	5443	0	0	0	0	3377	8077	8482	0	0	0	0	1340	4801	0	0	17257	Phytochemical	0.6875	0.8125	0.0625
20	C20 H13 O8 N1	396.07138	396.07178	-0.20990828	396.07132	3292	3596	4368	4012	4898	2580	0	0	4757	8731	5763	0	4333	2803	0	4136	1601	2329	7371	3396	5043	12049	1740	3279	0	3926	2075	3178	2555	0	0	0	3114	0	7699	0	3281	2120	3294	3441	10411	1966	0	0	0	4605	9201	0	1767	0	3097	5627	5545	0	4310	2772	2318	4533	0	3769	2959	4287	7158	7528	1550	4120	3716	3623	6399	4549	12231	0	0	0	1424	0	0	1436	7182	10358	3714	4469	1132	0	5746	4029	3610	5299	2731	7528	2471	2176	3577	20451	12240	0	2771	2620	3248	5107	5813	3613	1580	2861	3861	4632	4003	0	1714	10004	Phytochemical	0.4	0.65	0.05
18	C17 H17 O8 N1 S1	396.07477	396.07523	-0.06864072	396.07474	7985	4510	4340	2538	8074	3253	0	1905	3546	22088	10563	1183	9272	1212	0	0	1726	5763	9750	6913	9402	22473	2319	1978	1571	3070	1722	3811	0	0	1436	2322	2691	0	14621	0	4124	0	2218	20219	15016	3947	0	0	0	4795	7956	0	0	0	3808	3209	5197	0	4275	3155	2515	6042	3411	3852	2956	13330	7480	3403	3236	5700	4133	0	5719	7944	11281	0	0	0	0	0	0	0	2961	16235	1498	6367	3259	7685	4741	1983	1820	3338	2886	5231	7265	12820	6042	27816	30781	0	7139	3955	3723	5153	1775	2239	0	2412	7200	3487	4624	0	2988	8944	Organosulfur	0.47058824	1.0	0.05882353
8	C17 H14 O7 N3 Na1	396.08023	396.081	0.43377388	396.08038	0	0	0	889	0	0	0	0	0	0	0	0	0	0	0	0	2747	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2445	0	0	0	0	0	0	0	0	0	1608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4932	0	0	0	0	0	0	23195	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.4117647	0.8235294	0.1764706
6	C17 H17 O10 N1	396.09253	396.0931	-0.20289917	396.09244	12322	11774	10138	10944	14008	4898	2969	5778	22400	15767	16272	5701	33209	3609	3282	5464	5000	17687	22166	11269	25734	18798	8553	7146	827	1604	2002	0	3245	3807	5655	3918	9384	3137	20321	4304	5814	3691	6382	8903	21428	6792	0	0	0	7994	11152	0	4684	4790	13004	10746	10209	0	23051	20749	7833	6307	3223	6824	5606	9806	41136	23889	8911	21395	7954	7343	4438	3654	7139	4187	3890	3689	3160	4445	0	3297	5076	3468	4985	3045	1841	2518	21025	7641	6273	11382	10376	11772	0	4381	10852	18198	14279	0	10277	11217	13418	22561	21992	9000	5189	6458	0	6815	14893	0	2520	42103	Phytochemical	0.5882353	1.0	0.05882353
22	C17 H17 O10 N1	396.09253	396.093	-0.12022839	396.09247	5316	6154	5484	3153	7543	4095	1552	2473	12918	6788	3494	3141	17769	4566	2410	1936	3195	14571	8428	5614	5852	10623	4797	6455	5116	1709	1407	1790	1911	1257	1673	0	1938	1748	4851	1693	1668	2183	1478	2987	6466	4183	0	0	598	9209	17621	0	2258	2031	4885	3883	6768	569	14220	9868	4742	0	2996	3091	3955	5827	17570	16862	2522	13080	3376	0	1899	0	0	1236	0	0	1938	0	754	2839	4160	8224	3481	4328	1472	1300	10832	5938	5007	4972	2342	2492	0	0	3287	12291	18501	0	4392	6684	7711	8307	7743	3272	1533	2796	10012	4256	8142	0	1865	22546	Phytochemical	0.5882353	1.0	0.05882353
10	C17 H17 O10 N1	396.09253	396.09305	-0.16368102	396.09247	53383	62447	42541	51916	65188	33625	15365	27206	85649	113551	93585	32647	131265	24035	25523	40533	35263	87264	86312	74172	138636	122185	45399	35955	7043	8321	17659	21132	20744	20364	24374	23875	41212	20962	139843	21410	38069	22794	37053	84567	151588	36444	1308	0	0	43964	115594	0	24811	25471	59307	51555	45603	318	104292	75096	32596	32824	29250	45145	31606	69403	145556	102694	35960	86412	42674	39592	55007	22143	50781	24775	24101	15604	26857	25178	0	22331	41449	57541	27559	39578	10228	20985	78013	31732	30695	41267	43605	50544	14544	34608	56424	127509	105647	0	56029	67645	60614	73926	68153	41278	24937	33073	71313	38244	56336	0	14880	149709	Phytochemical	0.5882353	1.0	0.05882353
18	C17 H17 O10 N1	396.09253	396.09293	-0.17219286	396.09247	60374	68042	67778	51924	92706	63064	24172	31062	102824	92972	52558	34828	210624	47246	42032	31572	22856	153554	137686	56296	104226	130070	50124	40388	24932	4394	19724	17784	18842	14107	20614	16310	42570	27520	122822	23392	58022	35558	22468	66544	88328	51868	3936	0	1504	60102	113472	1658	26120	26164	60720	56138	73932	1152	161694	90854	46158	47946	26356	28056	36372	83312	197782	124280	44386	120300	65492	30476	42866	17438	38008	19636	23074	8078	23672	15986	906	29658	48928	98514	39450	65110	8678	15076	121542	69310	50202	44896	54818	27580	20116	43204	86390	126996	98780	1282	52506	62322	76180	80070	86662	40748	27334	35638	53222	46072	70766	726	23754	214508	Phytochemical	0.5882353	1.0	0.05882353
14	C17 H17 O10 N1	396.09253	396.09302	-0.15887856	396.09247	77309	70059	72173	74251	88380	57049	24376	33580	102996	123111	109467	38043	179117	42426	39811	37345	44569	139524	122598	92355	171047	197659	54053	42121	21411	11523	22372	41365	31149	25832	29483	24466	51301	23474	197923	25205	45620	36956	35856	96897	150237	55214	3737	317	238	79220	129748	533	34843	33368	65666	61572	65064	392	138952	89082	44872	34661	49433	49569	43317	103463	192124	132992	41770	119132	55432	39297	36001	22541	50191	30430	30702	22931	39136	29788	484	35306	47988	125587	44416	66249	21301	26268	109353	56608	45817	65263	53956	54235	28356	51228	79367	181489	144445	726	79275	77021	70586	90748	96832	48744	33004	44240	138112	49813	76488	0	25236	172734	Phytochemical	0.5882353	1.0	0.05882353
16	C17 H17 O10 N1	396.09253	396.09296	-0.1759775	396.09244	51808	55674	55660	52046	77286	55174	16463	24587	91684	95645	65694	25411	152909	35761	38358	33290	28561	129365	117711	73155	99333	132212	46436	35690	18033	5650	17118	24432	27026	17501	23486	20361	43805	19367	128519	18328	39193	32338	24958	66909	98367	49564	2778	615	709	46393	99093	958	26383	18024	59931	58017	59715	449	116915	79230	38435	26228	33927	27368	41091	69930	161292	102266	30652	104821	52689	28480	43046	20504	31097	28797	17199	10202	24369	17309	318	21696	37498	102340	30725	49117	11064	22471	89053	43961	46053	46354	48151	36302	20109	45502	59430	127540	104536	716	58507	57467	57558	75554	80975	47512	26598	26128	55475	44851	69820	612	15646	170339	Phytochemical	0.5882353	1.0	0.05882353
20	C17 H17 O10 N1	396.09253	396.09296	-0.16345285	396.09247	10467	13550	12198	11769	26017	17410	3748	5730	30318	20554	11257	5127	51625	13486	10415	8187	3334	37822	28674	5609	25994	24730	14691	8501	6301	0	3401	0	3850	4831	3846	2408	8217	5712	17575	5480	10213	8049	2245	11264	16620	14165	1467	0	765	14610	31005	1370	8600	4348	14196	13461	16073	363	33250	27521	13217	6540	4968	5664	6736	12933	36632	33310	11403	19507	15222	3113	8736	1942	3568	5254	3715	3656	5818	3790	844	7587	16405	21335	10688	9572	3852	0	30521	15653	10425	13256	14638	6252	3980	7380	17377	27349	23270	637	14945	13440	16938	23931	23788	10294	5124	3763	18287	9069	21522	0	6335	51168	Phytochemical	0.5882353	1.0	0.05882353
12	C17 H17 O10 N1	396.09253	396.09302	-0.14571814	396.09247	67694	68191	72769	69339	75257	42823	24630	36309	103310	128798	114080	41612	142186	25918	41512	40815	54888	112308	130291	106730	168564	219030	52835	39373	13029	10759	22033	30058	26951	25339	34339	27412	58670	24633	202821	24220	52352	34001	42406	95993	199388	50810	1559	356	0	75847	145082	552	34670	33655	76822	76328	69890	274	146836	92557	42801	42849	45473	52362	33148	118554	214567	123226	35244	116730	52383	57851	72931	30110	69539	30891	27335	20165	36057	23211	0	29857	45295	122622	44303	60722	18504	24347	93045	40194	49990	49073	58960	75551	22259	65360	73106	190145	116092	0	71882	92064	82977	90232	81524	56329	31938	35240	93145	51483	71508	0	22269	198099	Phytochemical	0.5882353	1.0	0.05882353
8	C17 H17 O10 N1	396.09253	396.09308	-0.18109357	396.09244	36572	38692	25507	32092	38747	17480	6870	16141	49823	51329	52860	19802	68625	12462	11052	20877	23027	38946	50011	44797	82160	61826	21667	17012	3346	2914	7597	13731	12332	14590	12523	13195	19899	11907	64942	10307	20569	13038	23345	42564	85585	24505	444	0	0	25117	52286	0	14917	13192	29082	31449	26487	0	63825	45679	22365	16994	11652	30211	17100	33907	95360	66810	24912	54049	24188	22487	26120	9097	27842	15399	12244	9968	13406	12407	0	11350	18779	20068	12627	16367	6178	12148	43780	14561	20566	28258	21725	28419	0	9755	29037	68789	52906	0	35145	34042	41694	53366	41769	23328	13721	22540	23972	19779	39338	0	9176	89767	Phytochemical	0.5882353	1.0	0.05882353
10	C16 H17 O9 N3	396.10376	396.10428	-0.15775092	396.1037	11881	11578	9041	11183	12872	7792	2178	6013	14168	24380	24393	5796	18531	0	7023	4918	10641	17281	14636	9272	28461	21186	11367	5026	1950	39890	4880	9254	7379	2705	2683	4273	8257	5457	35776	1973	11341	3877	10431	15013	30494	5530	0	0	0	12384	22196	0	8345	5917	15354	15135	6591	0	13234	14509	8203	10486	5211	5761	0	10165	28684	17558	6998	16304	7484	11787	39690	54796	71658	5562	4235	2203	6885	5276	0	4237	10712	10424	8648	9106	2136	7160	18255	5927	9275	9218	9326	19409	0	4850	18272	24448	18255	0	12542	12722	10757	12929	8150	6866	7623	0	0	11663	8319	0	4566	25499	Peptide	0.5625	1.0625	0.1875
6	C16 H17 O9 N3	396.10376	396.10437	-0.12808666	396.1037	4146	6453	5422	5275	6730	2439	1531	4904	9621	3432	3878	4621	14378	1970	3464	5357	7017	8358	9691	4045	9172	10490	5732	5205	529	0	1882	0	3162	1853	3243	3599	6379	3674	4649	2982	4889	3970	6496	4885	9113	6294	0	0	0	4256	7982	0	1638	4762	5734	7681	5163	0	9682	7526	4487	5159	3906	4884	6154	4641	20041	10652	5641	9634	7193	7841	0	0	0	3215	3886	2533	2729	2800	0	2469	3620	0	3112	2388	1401	907	11460	4731	4237	8879	6084	12136	0	4916	11939	6403	3693	0	6492	5260	6092	7487	6268	5717	3672	4459	0	7374	4723	0	2590	22732	Peptide	0.5625	1.0625	0.1875
16	C21 H17 O7 N1	396.1078	396.10825	-0.12834533	396.10773	10146	9148	10432	9264	8247	5215	1955	3479	9027	38236	30929	2501	10114	5525	2147	4220	4672	6409	9607	24421	42436	22145	4758	3319	2139	60412	0	18884	2652	1446	1506	0	3267	1833	44629	2301	3055	1137	2412	27371	29775	3973	276	0	0	15056	26972	0	1590	2411	11811	8449	3906	0	2691	7736	4443	5629	2465	4785	0	11482	6928	5551	6340	9125	3614	3744	62434	66626	92134	0	2076	0	0	1983	0	2161	8604	23393	5750	15850	0	20212	10485	5251	8290	6528	3071	0	8229	9333	0	26454	37316	0	10007	11621	7132	8505	9408	2813	0	4734	8674	0	4514	333	3083	10688	Phytochemical	0.33333334	0.8095238	0.04761905
12	C21 H17 O7 N1	396.1078	396.10822	-0.07744866	396.10776	0	4763	2438	2324	2802	3235	2475	0	4518	16070	11363	0	3456	960	0	0	0	3369	1569	11450	22708	7244	2008	0	0	29683	0	10249	0	0	1081	0	0	0	19594	0	0	0	1318	10454	17702	1046	0	0	0	5030	11328	0	1558	0	3826	1843	1224	0	0	2373	2270	2783	0	0	0	4386	3635	3247	1600	3456	3681	0	32339	43692	58377	0	0	0	0	0	0	966	2819	0	2302	5987	1153	10325	2893	2671	2009	2548	1382	4002	2916	2834	3261	13691	8809	0	2620	3311	3854	4345	3569	0	918	0	0	1591	1208	0	1704	4384	Phytochemical	0.33333334	0.8095238	0.04761905
18	C21 H17 O7 N1	396.1078	396.10822	-0.1356826	396.10773	12018	12918	10582	13813	9578	8317	3459	3688	8671	52015	42684	3506	8804	4421	1487	4862	5705	9233	11301	38677	37591	27999	3597	3082	1536	71380	4826	34707	3132	0	0	0	4562	0	47830	1930	6188	3480	5181	35483	50685	4158	526	0	0	18697	33841	420	4081	2267	12987	15778	8100	0	10086	5982	4045	4571	2881	5682	5854	19864	16244	9723	4038	8037	4948	5431	71166	81019	121033	1238	2141	0	3150	0	0	2875	10157	34448	4398	17096	3873	28189	11049	6032	12618	8850	7503	8263	16707	14314	5540	40127	51069	0	13204	13063	10980	7938	9923	6304	1982	5386	15608	4096	6926	1187	5712	8563	Phytochemical	0.33333334	0.8095238	0.04761905
22	C21 H17 O7 N1	396.1078	396.10815	-0.23326285	396.1077	7206	5921	4560	7311	4684	1643	0	2371	7424	20857	17330	1160	3908	0	2293	2538	2078	6573	4415	7670	22356	16437	2773	2590	1863	30074	1075	14882	2577	0	2095	0	4872	1536	20529	1369	2917	2267	3600	19828	31046	2145	0	0	0	14370	35526	0	3712	1642	7854	8382	3049	0	5357	6372	3595	2266	1644	3118	1472	14314	7692	7022	0	4546	3370	2498	29381	33910	49817	1612	0	0	1402	1054	0	1330	3854	24480	2971	12907	2029	13641	6169	3731	4001	4498	4317	8862	3712	6947	3180	28223	30806	0	9090	4693	4886	3391	5106	2930	1519	3488	16703	3663	2254	0	3025	3981	Phytochemical	0.33333334	0.8095238	0.04761905
20	C21 H17 O7 N1	396.1078	396.10815	-0.23558477	396.1077	8293	10754	9309	10618	9556	4728	2037	3090	4078	38044	37821	1860	6810	2930	2018	0	4432	6571	9875	19485	35695	32816	4152	6076	2496	53900	2386	28772	0	1628	0	1979	4007	1235	37417	1523	4809	1916	3963	30454	44273	3736	0	0	0	18707	31828	0	2719	1902	14134	12329	7153	0	7650	4864	3011	4666	3810	6821	3972	23462	8103	6687	5841	7798	7838	3482	51139	54383	81316	0	1546	0	2168	1686	0	2974	11599	31892	6566	17725	6703	30576	8886	4411	9235	6599	3597	10538	11973	8497	8761	42722	39049	0	10051	12444	8040	9490	8308	4994	1201	2233	17724	5561	4672	860	5116	9126	Phytochemical	0.33333334	0.8095238	0.04761905
10	C14 H21 O12 N1	396.11365	396.1145	0.001675801	396.11365	59359	98196	68400	58236	59508	20880	14949	23766	79786	156614	83328	27606	108369	11508	25113	58176	30495	49878	44112	121032	137544	105801	31547	68382	13458	22098	21426	29031	14943	21531	48216	55362	31419	33450	201846	18411	31953	19704	42666	139320	194136	49085	0	0	0	57804	161850	0	18060	22116	35640	27372	30438	0	108143	52093	34818	62052	30453	79500	0	51945	109434	89436	44545	38892	59205	42873	33699	51255	128526	45636	28251	14289	23568	38772	0	18162	67218	35811	26913	57258	27183	23307	80294	29367	27996	23574	22746	75914	32982	55257	55716	62220	159606	0	78504	74304	25059	46101	53733	37359	20454	39990	0	30249	53695	0	20061	151507	A-Sugar	0.85714287	1.5	0.071428575
6	C18 H21 O9 N1	396.1289	396.12952	-0.18519257	396.12885	54657	62567	107914	52673	41065	26801	25543	50562	110630	107233	88080	71710	164188	18933	33663	56645	45162	62451	71756	86876	257274	186536	45471	63686	13442	23283	24253	34149	39822	45120	45277	46974	55628	37641	275482	42646	52813	31739	61607	65764	241554	38669	761	287	0	55935	98019	0	50449	43985	61090	57399	36721	310	139672	45474	26528	57516	43402	128360	54409	56541	178254	63975	27389	62419	89450	59836	49722	46115	73955	46826	38239	37663	27778	39905	201	25662	37494	28210	31719	38043	24740	27038	49014	28272	31950	39023	39435	126164	28038	42308	134658	138948	74587	335	58921	50776	35301	51508	49579	54355	31827	59324	57735	48176	38775	0	20551	196994	Phytochemical	0.5	1.1666666	0.055555556
10	C18 H21 O9 N1	396.1289	396.12943	-0.14011364	396.12885	300618	298309	259898	267599	171138	137769	145455	283520	235933	681314	350952	188516	298799	89238	179783	258932	203480	296563	301240	575386	654015	500801	204370	288034	110798	227678	149088	207966	223645	226146	208081	229210	299879	208555	822763	221787	277312	170180	225146	561001	546303	150919	6862	548	728	346481	443528	508	249182	238412	288692	287942	169500	1261	329505	165245	109757	253820	264455	251598	271433	373089	312952	259236	108340	230048	171579	243348	357846	323744	396803	249036	226076	217026	189191	217157	0	165361	197444	217390	183359	246212	173194	218462	202775	129933	171370	160552	175771	239962	177522	259700	322646	358538	470082	1986	293365	318379	154021	146028	150602	252656	178027	315427	279747	235518	149220	0	128631	342533	Phytochemical	0.5	1.1666666	0.055555556
8	C18 H21 O9 N1	396.1289	396.1295	-0.1569705	396.12885	154141	338356	116982	308122	85671	71940	70532	132696	129757	304976	206284	199566	166866	41949	94592	146449	256726	128728	167000	269668	643948	501722	238500	148274	43929	79956	69650	106470	104415	111412	100544	128899	135269	111229	412367	106005	132658	169916	286026	235204	635364	82287	2618	328	298	183685	492084	0	134876	120174	144867	146237	85587	422	182683	100254	68309	119380	115986	282880	136446	179383	380374	317864	58148	131419	84306	157589	164213	134003	210751	123650	115092	101507	88829	115223	289	82236	103809	110963	91641	226254	82411	100439	107698	63285	89406	90927	190650	279168	79893	127071	347654	186611	225404	756	156996	164923	94527	104399	97695	134378	89603	176302	120049	124322	93637	0	68813	374670	Phytochemical	0.5	1.1666666	0.055555556
4	C18 H21 O9 N1	396.1289	396.12955	-0.22896515	396.1288	11093	15347	13078	13517	10614	6375	4752	10056	16745	16391	18427	7810	23810	4630	6478	12681	11686	14079	14483	14655	25133	20506	10335	11191	3109	6223	4324	5328	5206	6534	7648	8566	12055	5099	24357	8480	10495	7133	16929	12181	21660	8094	0	0	0	9720	20940	0	10605	9563	10671	10780	9128	335	16495	14523	6204	9363	7849	12322	10415	9371	24478	31908	7743	15683	9426	13239	11860	7495	11064	7165	6205	7483	3964	6728	0	6020	8114	6764	7613	6862	5195	4399	16553	7589	7003	8736	11773	13820	7649	10322	15177	14123	12163	454	10191	13885	12238	19201	17841	11730	5632	14728	9359	8335	9944	0	4667	51876	Phytochemical	0.5	1.1666666	0.055555556
12	C18 H21 O9 N1	396.1289	396.12943	-0.11929371	396.12888	393190	390109	387730	379131	239387	201164	236838	400104	342261	878732	472487	216574	381938	112658	272282	295394	260660	451013	483426	836914	936000	838545	309527	349230	187524	293074	190286	337765	343656	303845	308802	295130	422043	293204	1290833	315892	368996	255086	285239	789972	686138	215206	7361	1026	871	524352	572829	1006	328556	345889	376737	383574	224057	1280	534982	224714	165255	317159	419922	341214	372547	616371	504852	358682	131762	327655	239023	292069	524985	493554	541692	341208	325311	304669	226791	288763	620	278691	258328	337202	243715	365120	250208	334339	251458	186187	234907	192713	238755	328169	264811	420836	424936	497695	578360	2932	418026	451179	248198	183321	192367	377046	233444	372782	411320	321005	226111	926	195765	536633	Phytochemical	0.5	1.1666666	0.055555556
22	C16 H21 O5 N5 S1	396.1336	396.1337	-0.40578964	396.13345	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4545	1927	0	0	0	0	0	0	1779	4026	0	0	0	1682	0	37208	0	2494	0	0	0	2363	1064	0	0	0	1146	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8682	0	0	3234	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1631	0	0	4346	0	0	3104	0	0	0	0	0	0	0	0	0	0	0	0	7028	0	0	2306	0	Peptide	0.3125	1.3125	0.3125
6	C17 H21 O8 N3	396.14014	396.14072	-0.21544005	396.14005	52475	57027	54113	54708	24429	24905	27710	67604	37333	50642	37154	48953	39477	11603	41925	72780	66885	50281	51635	45377	65635	82462	51814	97663	24032	4117	28962	37495	52574	53328	53192	59216	74972	48999	59091	50720	65550	41050	83803	50956	76684	35066	0	0	0	56868	78861	0	59532	56453	57329	56661	33926	0	50424	23553	22743	55288	50806	63023	70252	38095	52585	43300	27859	41552	38903	87953	13247	17028	19450	50987	47575	47505	33281	45920	0	38427	41086	85305	34507	29029	28602	18430	34095	28687	38919	47025	42211	101308	74039	65140	99453	54342	49051	0	56634	51568	22831	23151	23268	67275	44514	68562	50938	71282	24319	0	36622	62901	Peptide	0.47058824	1.2352941	0.1764706
16	C17 H21 O8 N3	396.14014	396.14056	-0.21434116	396.14005	10269	33824	34345	39917	20259	9902	19504	20291	16490	57699	43278	18851	27897	15195	24611	23520	31457	17803	25499	50534	55463	26999	26438	42721	23291	94197	14425	46211	21256	17225	19598	23760	32371	17337	42779	23071	33190	25830	27227	50908	55722	18872	0	0	0	30620	37331	0	24911	24452	30531	16822	16609	0	10394	3877	9163	24845	24628	25394	0	33015	22373	22240	12028	22675	14969	36083	80204	110439	127090	19423	15800	14161	14817	19239	0	18671	5948	37095	16050	16440	20934	37534	19613	11558	31695	19082	10921	0	26125	46887	0	27464	43922	0	30095	21986	17168	10853	9175	38047	19161	17013	9743	0	11682	0	25241	20799	Peptide	0.47058824	1.2352941	0.1764706
2	C17 H21 O8 N3	396.14014	396.1408	-0.23488012	396.14005	10667	9501	11286	8954	9851	0	6558	10978	12612	6008	7808	11175	16972	3682	8553	1295	12392	15566	13842	5563	15421	13782	10204	8248	3090	748	0	8500	10539	5664	10698	6578	17597	9490	11249	6802	11444	7576	13592	8179	15106	8692	0	0	0	5267	9959	0	8332	7089	12066	9742	10181	0	14054	6908	5612	10449	5041	9388	3437	5646	23713	15334	7204	19822	10368	18970	2332	2940	4497	8937	9736	5198	962	8191	0	6592	9235	7097	8039	4913	4845	3070	10490	6526	9861	13233	11073	27209	6090	11833	20615	10303	652	0	9297	10355	7468	10681	10097	8698	9196	6636	7105	14938	7284	0	7749	22797	Peptide	0.47058824	1.2352941	0.1764706
0	C14 H25 O8 N3 S1	396.14352	396.14383	-0.5277797	396.1433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6359	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29318	0	0	0	0	0	0	0	0	0	0	12575	2297	0	2325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5714286	1.7857143	0.21428572
18	C22 H21 O6 N1	396.14417	396.1446	-0.18128407	396.1441	20950	23914	15174	17421	11641	9018	2224	5613	8562	59979	55915	3526	11992	8681	5322	7518	6923	12861	10974	52383	57417	23855	6670	10929	6377	107857	5463	51845	4374	6340	4908	6365	9617	0	52770	3703	9633	3695	6997	40927	67951	6406	451	0	0	18840	29589	0	4132	2120	18804	11813	6736	0	5719	3709	5448	10481	2462	7481	8082	20847	6003	6619	5947	10969	9959	9564	93946	117264	151436	4800	4725	2373	6227	8138	0	1544	11587	28617	6335	14922	7004	33284	8076	5820	13504	10810	8096	13489	18967	19509	16684	29697	38153	0	16633	15577	7822	5893	4660	6775	3293	8173	12908	6455	6240	0	7048	12293	Phytochemical	0.27272728	0.95454544	0.045454547
22	C22 H21 O6 N1	396.14417	396.14456	-0.21237986	396.14407	10926	10031	11723	12453	8143	5774	2097	3945	4799	30526	37419	3208	2249	0	2402	7534	4359	5719	5973	24923	40025	18452	3109	7056	2103	64924	0	44025	2009	4700	2383	0	3200	3846	26936	4142	6109	2286	5786	31686	45506	5728	0	0	0	23434	31640	0	1784	5320	11359	10228	6122	0	3780	3448	2758	6472	3157	6613	5603	24658	4699	4077	2286	7460	5951	3926	58820	63282	85614	3920	1291	2659	2366	2925	0	2668	6335	20638	3622	17544	4010	19328	8402	6263	4950	7780	6459	5975	7824	10526	7183	25432	21742	0	8359	9693	7192	4644	6436	7735	2906	8292	16414	5951	4182	0	3793	5315	Phytochemical	0.27272728	0.95454544	0.045454547
24	C22 H21 O6 N1	396.14417	396.1445	-0.21054767	396.14407	2623	4810	2358	2915	2553	3219	1302	1868	1208	14941	19580	0	0	2315	1383	0	1563	1355	2485	7865	14972	4448	1763	3048	0	22557	0	14010	1464	0	1479	2042	1881	0	14842	1296	0	0	2347	10976	22441	0	0	0	0	8753	19795	0	1274	0	2944	2234	2094	0	0	0	1342	1429	1048	3836	2923	10637	3261	0	0	2960	2048	3016	29840	17163	40667	0	1334	0	0	2500	0	1637	3520	10566	1882	8142	1528	7731	2284	0	3258	2100	1492	2469	1422	2491	2196	9943	7565	0	4568	2508	1437	3491	2374	2337	0	2616	6853	3514	2945	0	2121	1212	Phytochemical	0.27272728	0.95454544	0.045454547
10	C22 H21 O6 N1	396.14417	396.14462	-0.3387671	396.14404	9581	4635	5100	4892	3665	1244	1424	1187	2260	18661	16135	1252	2939	2485	1573	2114	2578	2695	5146	27841	25629	8357	2593	1415	2872	42788	1707	17626	1396	1159	1488	1802	2314	2782	18432	1913	3526	1943	1808	15204	14618	3055	0	0	0	8531	12670	0	2431	1238	2784	3388	2947	0	3047	1543	1102	0	0	0	0	6418	1720	2796	1105	1528	2426	2017	39685	51637	57564	2641	1782	1062	2225	0	0	1172	2531	8800	1923	3697	1138	9214	3633	983	2782	2982	0	4555	6908	1934	6765	11166	13068	0	6076	7236	1675	1618	1431	2264	1609	3820	0	2507	1421	0	1884	2457	Phytochemical	0.27272728	0.95454544	0.045454547
14	C22 H21 O6 N1	396.14417	396.14462	-0.22047186	396.14407	8074	8238	4527	5913	5085	3060	2500	3490	4317	38229	25581	2803	2061	4774	1876	3664	3087	4124	6103	29634	41855	6890	4206	0	4141	71111	3376	24026	2029	3350	2058	0	2505	2002	30749	3635	4146	3499	4679	21435	28918	4400	0	0	0	13507	22748	0	3722	3602	7944	9420	4363	0	3330	2743	1917	5743	0	0	0	14390	3050	5028	2773	3183	6184	4008	55808	85817	93952	2887	1236	1802	5146	2669	0	1918	4105	15247	4559	8174	2992	15954	4318	2706	6393	5190	2263	13937	4458	6869	6339	12089	15460	0	7135	6231	4900	3369	3976	4370	2548	5678	0	5320	4199	0	2036	2433	Phytochemical	0.27272728	0.95454544	0.045454547
22	C19 H25 O6 N1 S1	396.14752	396.14795	-0.11527516	396.1475	3868	6208	4030	7723	5651	4496	1205	3331	3471	14458	9433	1824	3398	0	2033	5778	3294	0	5173	21941	16473	14226	2951	4622	1720	25046	1827	11188	3883	1745	1869	0	3295	4578	18922	1964	4779	0	3912	17047	11152	5085	0	0	0	6920	11594	0	3548	0	4842	3728	3944	0	2251	4532	1352	3698	6286	4360	2793	13370	3440	0	0	5238	4055	4724	16104	21051	22766	1832	0	1833	2398	1252	0	913	2212	5347	2405	5942	6452	10708	3230	3870	4133	2730	1846	4157	18185	18095	7598	10626	22399	0	7862	4374	2109	3660	4703	2843	1720	6164	5009	3087	3651	0	1964	4043	Organosulfur	0.31578946	1.3157895	0.05263158
0	C15 H25 O11 N1	396.15002	396.15085	0.4601472	396.1502	0	0	0	0	0	0	0	0	1363	0	0	0	2194	0	0	0	0	0	0	0	0	0	1180	0	0	0	0	0	1843	0	0	2374	3846	2977	1011	3505	0	0	1112	0	0	0	0	0	0	0	0	0	0	0	0	0	1197	0	647	607	0	0	0	0	0	0	0	0	1427	2349	2186	2720	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	955	0	0	1646	27728	19907	3225	0	0	0	0	0	717	0	0	0	0	0	0	2266	583	0	0	2770	Unclassified	0.73333335	1.6666666	0.06666667
6	C19 H25 O8 N1	396.16528	396.16586	-0.23428652	396.1652	176164	158920	156398	161254	45882	87908	80868	184084	109142	322190	78399	101574	182832	25391	119622	181258	136956	142088	168132	274578	336946	295582	124978	198708	74356	43250	88652	52773	154850	138672	154990	161546	192062	133780	402800	153078	180790	108550	155568	193242	241222	44135	773	370	512	99023	106850	0	193524	156660	162002	170616	85234	483	148004	48658	57738	168654	126968	145572	177878	70750	164636	64788	26185	142136	55481	174732	59368	77065	97835	142268	148248	156732	41441	127484	331	96796	106660	46506	103528	50655	104128	44787	49511	37020	108128	88310	105490	152830	72061	177382	236126	150904	219734	413	172026	158874	32043	46460	54238	167408	101872	118320	59008	158160	40531	0	84312	178926	Phytochemical	0.42105263	1.3157895	0.05263158
12	C19 H25 O8 N1	396.16528	396.1658	-0.1834224	396.16522	399396	413852	456441	393424	216235	218711	333866	659609	281723	690872	356993	286186	319256	123357	391302	443782	813218	419152	486883	954606	944338	645976	448528	555013	343511	694445	222770	337534	533364	437351	463179	445605	522862	442853	958777	481744	903730	334092	387171	694623	560418	269052	8823	1746	1279	614451	530964	1259	953028	514795	400285	398417	238771	2381	426845	236406	179718	442967	551136	420950	505240	468339	345677	292643	143109	289898	253984	365677	720041	841932	750676	924156	473309	540724	312649	420516	894	375057	336225	326181	343228	376907	794990	396761	281281	214170	310938	203302	278341	429820	364842	502853	1201974	345475	463155	4019	441109	537159	222085	173513	215329	468996	311193	556274	402521	827904	222030	1186	324697	358916	Phytochemical	0.42105263	1.3157895	0.05263158
4	C19 H25 O8 N1	396.16528	396.16595	-0.23037498	396.1652	61766	66956	30892	56134	19855	41726	13475	33447	22868	48641	30151	38108	80442	12443	42366	56574	28239	57872	63028	43872	52490	95722	53008	69976	25608	15410	14748	16332	29030	50166	23999	23592	79906	24088	66484	27108	57632	40738	68340	38215	88146	18181	0	393	488	32839	39172	399	26979	28689	59014	51162	19077	410	34089	22778	11695	59428	46206	27354	62716	24540	64260	46090	13047	57950	36556	28444	23791	25556	29294	52884	23574	54340	12115	41002	513	39782	41282	21733	40200	20458	17803	15275	23034	31556	19384	17914	20464	57646	30371	36358	81318	25954	43427	1101	29545	32738	16851	26678	26424	61166	35566	40715	20113	51978	18996	468	15907	77594	Phytochemical	0.42105263	1.3157895	0.05263158
28	C19 H25 O8 N1	396.16528	396.16565	-0.25789115	396.1652	8873	8049	5981	7082	5796	4528	3816	7855	5134	11671	4688	4527	11510	3441	5445	8225	6800	8841	7783	15330	18698	5218	7150	10493	6016	15332	3621	6332	8536	7910	6692	6167	6079	7016	13124	9490	8516	4393	7343	7930	7100	6503	1455	0	0	5396	8894	0	7535	7912	6872	7377	5858	0	5845	6177	4733	7785	4502	3483	9166	6968	8035	6004	3849	8079	5090	4464	11031	20549	18341	7717	7122	8504	6547	7100	0	4152	5303	2885	4203	3552	6160	7513	5385	3617	5115	4174	3963	3690	7469	9408	8398	3533	6632	1628	7782	8550	4650	3316	6060	4917	4708	7669	4258	5407	2591	0	3828	8524	Phytochemical	0.42105263	1.3157895	0.05263158
18	C23 H25 O5 N1	396.18054	396.1809	-0.30421546	396.18042	11654	9426	10910	8317	5155	3908	4515	7913	2656	19080	23910	4293	0	5251	6455	13414	6017	5529	3962	29847	30953	11866	4984	12424	3971	70262	3017	23780	5844	5023	6347	3325	8348	4537	10153	5656	6592	2828	7140	23605	37155	4107	0	0	0	9996	16816	0	6866	5568	10813	12312	4249	0	3337	2004	3000	10342	3117	10962	9638	12625	4840	2009	1895	5228	5824	12656	47443	55675	73550	4749	5639	3195	8127	7363	0	2818	9172	17511	4604	6007	5051	20125	5028	3392	10290	5868	5876	21832	8742	9094	17067	11302	12103	0	8794	9659	3020	2494	2182	7883	4726	7988	4988	8495	3278	0	7413	2445	Phytochemical	0.2173913	1.0869565	0.04347826
24	C23 H25 O5 N1	396.18054	396.1809	-0.21958615	396.18045	9253	9524	6580	6571	4809	5270	1519	4911	2743	17391	21341	2869	2922	3547	2614	7788	6046	2232	5182	14650	21957	7984	4488	7839	4715	44606	2190	30013	5278	5486	3713	5287	3806	2973	6962	5797	5936	2292	3989	23016	27540	5439	0	0	0	14576	14685	0	4260	4403	7519	6004	5386	0	2324	2014	3040	6858	2900	6246	8710	12836	2316	3548	2356	5436	8873	5802	43632	36304	39450	4359	3053	3531	3604	4892	0	3342	5470	14499	2868	8343	5253	18848	3505	0	9397	6010	6855	13439	8513	4581	13459	11469	10065	0	7418	8171	4710	3686	0	6546	3136	8282	7225	6798	3011	0	4882	1652	Phytochemical	0.2173913	1.0869565	0.04347826
22	C23 H25 O5 N1	396.18054	396.1809	-0.21647851	396.18045	14376	11842	14693	14119	11323	6514	2866	9557	5236	25690	35935	4944	2633	6259	5706	11168	9329	6638	9554	26699	34045	14401	7013	13775	8630	71560	4344	38298	7009	6745	5675	9634	12918	11324	15289	8246	8391	6598	8275	29477	45800	8054	0	0	0	21676	28917	0	6732	6483	14562	15414	7694	0	3949	4422	6117	10480	8181	9449	10500	20897	3340	4424	4249	10511	16649	13259	78986	63613	95106	7975	5621	4352	5087	8673	0	5098	9253	20528	7619	12817	8892	26908	7417	4537	9244	12041	8217	18569	12376	13256	22261	19797	17012	0	11510	17702	7369	4626	6375	9955	5092	10035	15027	9441	5061	0	8193	6696	Phytochemical	0.2173913	1.0869565	0.04347826
20	C23 H25 O5 N1	396.18054	396.1809	-0.25590375	396.18045	14940	17480	16068	14392	7385	6883	4220	8288	7899	31348	33370	4687	4422	8299	5227	15707	11584	6977	10537	34399	33914	23785	7329	11841	9707	88663	7739	42194	6772	6500	6154	10137	9843	7294	21502	5695	7738	5712	11878	33821	44935	9706	0	0	0	15877	24529	0	10234	5674	14555	13606	7008	0	4365	3364	5940	14253	5285	11257	9953	19951	5427	5250	3846	7458	12204	12703	78779	74535	119274	7116	7308	6808	7651	4849	0	3593	9394	22264	9618	9584	8500	29573	6442	5054	15877	7955	9229	27804	16459	15242	23355	19722	21044	0	12825	16433	5588	4348	4914	12019	5497	13621	9663	13526	4649	0	9866	2938	Phytochemical	0.2173913	1.0869565	0.04347826
16	C23 H25 O5 N1	396.18054	396.1809	-0.4121991	396.1804	6038	7080	7552	8325	3209	1998	2470	2936	2852	10431	17523	2545	2071	2952	3157	6270	4629	1799	4659	22419	27325	6817	5270	4042	1500	51424	4220	21954	2944	3212	4588	0	2411	3664	16741	2840	6034	2117	3344	12604	18680	2342	0	0	0	4220	7541	0	3991	3304	4228	7429	2768	0	2313	1196	2614	4737	1568	3078	0	7530	2680	1532	1841	2538	2383	11744	37111	47638	61886	2960	2514	1964	2416	1951	0	1823	3702	10338	2942	3519	1858	12851	2718	0	7315	2895	4381	0	4605	8219	0	7096	11449	0	7046	8203	2099	3224	1520	4060	3365	2780	0	0	1964	0	2527	0	Phytochemical	0.2173913	1.0869565	0.04347826
22	C20 H29 O5 N1 S1	396.18393	396.18433	-0.08419424	396.1839	3369	3583	2041	4864	3177	2608	1643	1998	2622	6099	4974	0	2157	0	1759	2398	2932	3249	0	10558	4412	7767	1197	2322	1841	11482	0	4823	1466	0	3084	0	2048	2861	7834	2572	2659	0	4156	10780	14974	1653	0	0	0	7758	11441	0	1193	2050	5279	6167	1790	0	1479	0	1763	3661	5199	4954	0	4328	2160	0	1564	1816	3238	3404	6950	10542	13106	2632	2860	1721	0	1872	0	2198	1902	7580	1670	3559	5107	3793	0	1523	3293	2924	1211	4665	21295	19285	4127	11076	15264	0	3630	3226	1405	1167	3710	3459	2714	10679	5477	2926	1965	0	0	0	Organosulfur	0.25	1.45	0.05
6	C16 H29 O10 N1	396.18643	396.18716	-0.05477764	396.1864	0	3452	0	3327	7852	37885	2949	4039	0	0	2947	2067	6173	5794	3355	5257	2550	22947	15262	1614	0	0	3873	5620	3658	0	1853	27291	3304	2898	2425	3270	6316	4005	0	4003	4888	2251	4212	0	0	0	0	0	0	0	0	0	0	3403	4651	4969	5229	0	1771	0	2359	3702	0	0	4093	0	8714	0	2826	12578	3637	5225	0	0	0	4536	4758	2770	1949	0	0	2065	2734	0	0	0	1968	0	16836	3924	4425	6501	0	6655	8299	5471	9025	1526	1662	0	0	0	0	0	2399	4181	2453	0	0	4554	7170	0	2982	13029	Unclassified	0.625	1.8125	0.0625
28	C20 H29 O7 N1	396.2017	396.20206	-0.2707815	396.20157	10145	5708	6462	7123	11080	7057	2808	8204	6755	10432	6217	4508	17695	5770	5166	11139	7812	12907	11513	15924	16533	5203	7610	9739	5054	22332	4460	7375	6707	6908	5560	6260	8869	8953	9874	8031	9015	4514	6734	8599	10843	4657	0	0	0	5810	6419	0	8885	7151	7643	8181	9720	0	11794	11195	4561	8486	3818	3905	11646	4673	10710	7907	4152	11487	7480	6345	17755	28532	30939	7824	8080	6401	5311	5975	0	5428	7725	4030	5470	3344	5549	7930	8788	4801	7827	5532	5318	6440	8604	8430	11994	2681	6129	0	10621	9023	6205	13915	14505	7572	3859	8721	2366	6414	5714	0	3782	12681	Lipid	0.35	1.45	0.05
16	C17 H33 O7 N1 S1	396.20505	396.20505	-0.6614531	396.20477	0	0	2958	2070	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1877	6218	4915	0	0	0	0	0	2168	1208	0	3764	1886	0	0	1639	1061	2140	0	0	0	0	0	0	1382	0	0	0	0	0	0	0	0	0	0	0	3186	0	0	0	0	0	0	0	0	0	0	0	0	0	2471	0	17284	2049	3987	0	1956	11600	0	14310	0	0	0	0	0	0	1178	0	27685	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.4117647	1.9411764	0.05882353
10	C19 H29 O6 N3	396.21292	396.21335	-0.31340432	396.2128	9803	13874	9754	11302	3945	3692	9110	16772	2358	10124	4484	5920	1409	2384	9501	13845	11502	4869	6416	9962	8775	15105	8004	17887	10247	0	5648	9427	10819	11926	13578	14727	18982	13444	9771	12490	21528	6225	13820	10141	3476	4715	0	0	0	11017	4419	0	14490	8005	15562	10474	4369	0	4032	0	1475	12095	3293	2538	10634	4817	3728	3222	2934	4093	4684	13626	0	7548	3918	11619	13015	12179	8451	11373	0	8643	7258	5949	6604	3648	4066	3745	1356	3439	8869	4880	7275	22547	47664	24000	27042	7099	9189	0	8756	13497	2072	1095	1325	17904	6375	16454	0	12371	1297	0	9953	5035	Peptide	0.31578946	1.5263158	0.15789473
20	C24 H29 O4 N1	396.21695	396.21725	-0.26905987	396.21683	2592	3271	2545	2085	2730	2277	1507	2350	1779	3125	7558	3189	0	5452	1409	8076	3887	0	0	9250	3861	3657	0	6035	2753	24995	2244	7690	3414	0	2544	3881	1962	1524	3550	3034	4482	2296	4497	4820	12820	2377	0	0	0	1944	7613	0	1532	2328	2171	3152	1080	0	0	0	2217	4642	1716	4880	3763	2955	2006	0	0	0	1903	6503	16322	14824	27291	1658	0	1818	1987	3839	0	1975	3764	4301	3621	2400	2389	0	1718	1435	4544	2034	1472	16845	5912	0	6864	4642	3425	0	3931	2632	0	0	1809	3119	2191	4720	3582	4261	0	0	5072	0	Phytochemical	0.16666667	1.2083334	0.041666668
16	C24 H29 O4 N1	396.21695	396.21725	-0.46747452	396.21674	1715	2523	1778	2307	0	0	0	0	0	3332	4236	0	0	0	0	1791	0	0	0	5559	3745	0	0	2127	0	20361	0	10503	2911	1630	2028	0	1741	2199	4290	1843	1734	0	2724	2391	2064	0	0	0	0	0	2041	0	0	2191	2025	0	0	0	0	0	875	0	0	0	0	1316	0	0	862	0	0	2112	8229	5684	14278	0	2174	0	1637	1787	0	0	0	0	0	0	0	3373	0	0	0	0	0	0	0	0	0	0	3109	0	0	0	0	0	0	1997	1149	0	0	0	0	0	1510	0	Phytochemical	0.16666667	1.2083334	0.041666668
22	C24 H29 O4 N1	396.21695	396.2173	-0.26474452	396.21683	7379	5845	6069	5015	1265	2405	2314	5580	3106	5772	13223	3480	2964	0	3073	10628	7455	0	0	8142	12099	7588	3708	8893	6567	41374	3052	15433	4503	5655	4849	3841	6693	5928	6585	4477	7082	2810	5623	10872	21618	4274	0	0	0	4913	10350	0	6593	8662	8224	8635	3716	0	1644	2753	3647	4205	3670	7182	9156	2798	0	0	0	1499	4672	7133	26688	22019	38459	2921	3076	4869	3825	6421	0	2798	7291	9396	4430	3195	6132	9932	1385	3023	10562	4933	2265	22907	5276	4269	14148	7472	7346	0	5029	4296	2627	2002	2184	5672	2599	9505	6031	7565	2697	0	6123	0	Phytochemical	0.16666667	1.2083334	0.041666668
2	C17 H33 O9 N1	396.2228	396.22348	-0.22901909	396.22272	5359	4497	6752	4931	89714	19096	2524	1867	1743	553	0	1067	45457	143239	1421	3085	1698	12203	3270	0	0	2039	805	0	953	0	4049	0	1485	2478	1457	2350	2209	2917	776	2272	4528	2002	2020	0	0	15943	0	0	0	938	0	0	2757	1543	4952	5268	38343	0	2311	4190	18480	2766	0	0	2788	0	4824	2839	7281	26626	30424	2316	0	211	0	6006	3052	1632	1452	2191	0	1636	0	0	1010	0	0	0	3324	3977	0	1392	1713	2888	10627	1935	3267	656	938	0	5862	5336	2233	2575	5067	2542	0	559	495	1949	22049	0	1083	13927	Lipid	0.5294118	1.9411764	0.05882353
0	C17 H33 O9 N1	396.2228	396.22336	-0.23104356	396.22272	2365	3202	2120	0	1420	0	3030	3168	872	0	0	0	3541	0	0	0	0	2512	1375	0	0	2041	0	5040	1474	0	0	1844	4675	0	1669	3270	4224	5943	1445	1945	4040	0	1584	0	0	0	0	0	0	0	0	0	2976	2983	2075	0	1316	0	1165	1022	0	4747	0	0	3373	0	0	1315	1903	4337	0	2261	0	0	0	6079	4051	2852	0	0	0	1610	1229	2391	1298	626	0	0	0	0	1372	2016	0	1361	20131	2867	0	0	0	0	0	2330	360	0	0	0	0	0	0	0	1138	0	1887	17620	Lipid	0.5294118	1.9411764	0.05882353
4	C17 H33 O9 N1	396.2228	396.2234	-0.21496618	396.22272	0	1469	1677	1688	13702	1448	525	0	3044	0	0	0	7266	20123	1181	1412	0	1201	1342	0	0	0	0	1363	0	0	0	0	0	0	0	0	0	0	0	704	1011	575	0	0	0	1617	0	0	0	0	0	0	0	0	1327	0	7620	0	2121	4212	11006	849	0	0	0	0	2127	712	1748	3909	3917	0	0	0	0	622	0	0	0	0	0	748	1207	6075	609	0	0	0	4182	607	1689	0	0	1430	2428	0	0	0	0	0	1845	1808	1173	1908	2060	0	630	0	0	0	11568	0	656	3899	Lipid	0.5294118	1.9411764	0.05882353
26	C21 H33 O6 N1	396.23807	396.23846	-0.18881431	396.23798	27415	25336	36986	28303	42735	23194	11799	33087	36148	26893	18753	11867	53015	21352	25839	28562	20587	44511	60903	39842	42058	41982	42418	62287	41916	30494	10886	28410	35365	25928	23576	21750	33213	22381	37393	27870	34209	22991	18013	36908	29499	22216	0	0	0	39520	21617	0	25010	22518	27999	25144	31504	0	51559	33003	21057	35934	23578	11125	30015	28180	39271	35681	15279	40057	32902	15971	35609	53506	53487	21267	24402	24097	11183	24384	0	14391	36142	33880	53317	28273	23002	22133	31127	16904	35225	17369	21932	18935	48166	53878	66403	32038	51945	0	30956	37529	22393	25785	31925	37147	16806	36618	36659	26011	20789	0	42331	39279	Lipid	0.2857143	1.5714285	0.04761905
28	C18 H37 O6 N1 S1	396.24142	396.24152	-0.28348234	396.24133	974	874	1788	1195	0	0	0	0	0	876	5151	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1494	5272	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1170	0	0	0	0	0	0	0	0	0	0	0	0	936	19988	0	0	0	0	0	0	0	882	0	0	958	0	0	4778	7017	7324	17785	0	0	0	0	1917	0	0	1244	36594	8731	0	3116	0	0	881	0	12297	0	0	0	0	0	0	0	0	0	955	849	Organosulfur	0.33333334	2.0555556	0.055555556
18	C25 H33 O3 N1	396.25333	396.2537	-0.273122	396.2532	11625	10644	8780	10583	0	5405	14285	13852	0	0	4925	9346	0	0	12385	20228	52247	0	5328	6140	3815	0	23727	25654	9819	2362	27779	6310	25631	15558	11645	18512	48174	12117	0	16963	45820	14710	58564	2749	4876	36678	0	0	0	2527	4523	0	27010	11145	8047	10229	8745	0	0	0	20757	14860	0	3897	18767	0	0	0	8082	1914	26692	71753	2151	0	2478	6525	9948	5141	24794	18513	0	10511	25803	3387	48024	0	0	1590	0	3868	15026	11983	18505	18020	12254	0	9896	0	0	0	9622	9692	0	0	0	56552	10355	4477	0	6776	0	0	5904	0	Lipid	0.12	1.32	0.04
26	C25 H33 O3 N1	396.25333	396.25327	-0.2132294	396.25323	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2036	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3478	0	0	0	0	0	0	0	0	0	0	10100	0	0	0	0	0	0	0	28372	0	0	45879	3420	2151	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2918	0	Lipid	0.12	1.32	0.04
18	C18 H37 O8 N1	396.2592	396.2597	-0.3508184	396.25906	0	0	1673	0	0	0	0	0	0	0	0	0	2599	2573	0	0	0	0	0	0	0	0	0	0	0	7373	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	552	0	0	0	0	0	0	0	0	0	0	1099	0	1256	5814	0	0	0	0	0	0	0	39317	94620	23316	0	9212	4997	19197	0	0	0	0	0	0	0	0	3701	0	0	0	0	0	15733	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.44444445	2.0555556	0.055555556
10	C22 H37 O5 N1	396.27444	396.27484	-0.28550327	396.27432	4342	4865	6544	0	0	0	4761	7390	0	0	1640	5376	0	0	2681	9543	6400	0	0	1652	0	0	1403	2208	6280	0	2737	0	5386	7963	5198	6496	8151	3530	0	5757	8806	2761	6358	0	0	0	0	0	0	0	0	0	10140	9841	5355	3059	1210	0	0	0	0	11849	0	0	0	0	0	0	0	0	0	10651	0	0	0	4086	4538	7507	4101	5143	0	6485	3065	0	1331	0	0	0	0	0	58839	0	0	71867	20025	0	6522	1201	1545	0	3938	4630	0	0	0	6515	6017	0	0	15229	0	0	7044	0	Lipid	0.22727273	1.6818181	0.045454547
12	C22 H37 O5 N1	396.27444	396.2748	-0.25712848	396.27435	7607	5538	4822	3253	0	0	6146	39203	0	1976	0	21152	0	0	5472	19700	3350	0	0	2078	0	0	1733	0	6798	0	5627	0	10613	20569	24627	10206	7715	4432	1856	15070	4879	4536	3218	0	0	0	0	0	0	0	0	0	17445	38940	5757	4461	1045	0	0	0	0	15438	0	0	0	0	0	0	894	0	1197	6936	0	0	0	7136	5495	15736	8844	11232	0	18238	3097	0	1067	0	0	0	0	0	69468	1088	0	158158	17944	0	2816	0	1836	0	5220	3843	0	0	0	4537	13662	0	0	4658	0	0	3186	0	Lipid	0.22727273	1.6818181	0.045454547
22	C22 H37 O5 N1	396.27444	396.2748	-0.26349133	396.27435	15630	16618	17559	14313	12120	6882	30665	9962	6557	5969	11391	16997	6423	9046	18244	19627	50970	13794	19682	5758	11081	4886	12754	9085	36412	13752	35466	10437	20256	19915	10492	18686	22285	15316	5208	22008	23399	19772	49912	3256	12757	13299	0	0	0	12196	14739	0	21501	17381	18778	16951	10444	0	14681	6393	10305	22800	5824	15614	21188	5383	7343	8455	12502	12636	19265	54245	10414	9356	13174	7889	11595	20239	35299	15248	0	10605	47422	17251	21659	7721	11918	10501	13688	22790	72431	17744	12725	43841	28536	14525	17803	6093	17181	0	17031	18715	7588	7617	14364	34843	10520	15742	6647	15435	9821	0	41563	8825	Lipid	0.22727273	1.6818181	0.045454547
8	C22 H37 O5 N1	396.27444	396.27484	-0.28660297	396.27432	3278	2232	2383	1723	0	0	6934	13459	0	0	0	7840	0	0	4105	8472	2274	0	0	985	0	2685	2043	1883	7567	0	7187	0	7067	8406	7283	6446	2356	2447	0	8055	2732	3071	3336	0	0	0	0	0	0	0	0	0	9659	14534	1926	2269	0	0	0	0	0	6881	0	0	7018	0	0	0	0	0	0	2333	0	0	0	7055	2159	9023	5683	3615	0	5707	3961	2634	717	0	0	870	0	0	29221	0	612	28497	13851	0	5419	1252	1198	0	3585	3126	0	0	0	3142	6621	0	0	4213	0	0	6911	0	Lipid	0.22727273	1.6818181	0.045454547
14	C22 H37 O5 N1	396.27444	396.27487	-0.14778379	396.27438	46094	57894	51998	53050	0	0	28607	706175	0	1845	18461	283497	0	0	24441	421498	13214	0	0	24723	9640	0	11271	16617	10586	0	58148	0	121210	450244	443873	141795	43777	27132	8704	201903	27696	30122	10805	0	0	2591	0	0	0	2353	0	0	225916	740764	45334	46654	0	0	0	0	2860	217663	0	0	269003	0	0	2173	4933	0	1480	22176	0	8681	0	76826	23697	286442	114768	178681	0	343089	4831	0	6559	0	0	0	0	0	12520	0	7069	16684	8771	0	5181	0	0	0	40537	59039	0	0	0	35859	315000	14159	0	15355	0	0	6615	0	Lipid	0.22727273	1.6818181	0.045454547
26	C22 H37 O5 N1	396.27444	396.27484	-0.23943312	396.27435	20099	15203	23778	18541	20315	13240	17191	17035	15435	14010	19753	8148	19674	11179	20427	20828	19740	15455	39278	25776	21111	19226	9041	11519	17891	21598	15022	25434	32926	21362	13878	24219	27875	21903	19741	28414	26733	15330	20645	20913	15918	27186	0	0	0	18319	9993	0	20921	13971	17259	18316	21822	0	24830	17711	12601	28250	20029	16391	21874	16720	17592	14832	12589	29199	31416	19530	18301	20771	18154	12493	20548	23546	17070	20582	0	11696	15229	29087	7175	15697	22339	19142	18630	16618	31831	15169	16981	21804	46744	51951	19988	17048	17478	0	16933	19014	13069	14185	20504	34400	6312	31672	17927	12720	11361	0	16097	12288	Lipid	0.22727273	1.6818181	0.045454547
20	C22 H37 O5 N1	396.27444	396.27484	-0.2624167	396.27435	13072	13709	11876	12315	0	1955	14405	11409	0	7877	9698	11055	2182	0	5672	38644	33098	1589	4244	7165	8059	10478	3965	35797	10385	0	20984	8244	16899	10860	14223	17226	26171	14274	4144	18255	23571	7454	38007	14382	36635	4164	0	0	0	18074	34146	0	16948	9264	16786	15092	1867	0	0	1847	4014	27186	0	6026	26799	5021	0	2037	2560	2046	5283	43091	2285	0	3813	8031	10531	11617	33838	10484	0	7315	15799	17470	14897	0	3835	18827	2495	2407	16868	10328	7674	58762	39867	6045	39738	12520	15558	0	12411	13842	1343	1789	5235	24048	6905	12044	12512	41217	1510	0	19513	1346	Lipid	0.22727273	1.6818181	0.045454547
16	C22 H37 O5 N1	396.27444	396.27484	-0.24874623	396.27435	4827	4753	1790	2310	0	1390	6146	7389	0	6047	2451	2108	0	0	2461	10409	4719	0	0	5175	4428	3081	2005	10383	9646	0	10702	4689	5612	4107	4883	7816	30866	3928	4415	7307	27308	1788	6621	7421	1980	0	0	0	0	6652	6281	0	9242	3840	5377	5185	0	0	0	0	0	12577	0	0	6998	2914	0	0	0	0	1724	6344	0	2049	0	5356	2703	1782	5120	7475	0	2155	4826	5283	1239	0	0	4745	0	0	5170	0	0	0	21997	1937	0	3618	7210	0	4854	5436	0	0	0	23363	2559	4907	3632	0	0	0	5391	0	Lipid	0.22727273	1.6818181	0.045454547
24	C19 H41 O7 N1	396.2956	396.29608	-0.27402076	396.29547	11213	4904	8642	8423	0	0	0	0	0	61814	30370	0	0	0	0	0	0	0	0	0	8621	0	0	0	0	0	0	0	0	0	0	0	0	0	9026	0	0	0	0	21270	0	0	0	0	0	3574	0	0	0	0	10703	7991	0	0	0	0	0	0	299913	0	0	265180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6872	0	0	10318	7949	0	0	0	0	0	0	1562761	0	0	0	0	0	Lipid	0.36842105	2.1578948	0.05263158
8	C23 H41 O4 N1	396.31082	396.31125	-0.55975026	396.3106	937	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	850	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2991	0	0	97895	0	0	3880	0	0	0	0	0	0	0	0	0	0	0	0	954	0	0	1896	0	Lipid	0.17391305	1.7826087	0.04347826
14	C16 H12 O12	397.04016	397.04068	0.042060066	397.04016	0	0	0	0	7003	1496	0	0	10643	0	0	0	12245	2423	0	0	0	3681	5469	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1659	3552	0	4470	11040	1979	0	0	0	0	0	26485	8734	1828	9675	1367	0	0	0	0	0	0	0	0	0	0	1357	0	0	1182	0	0	0	8764	0	0	3523	2075	0	0	0	0	0	0	0	0	0	4870	16462	12544	0	0	0	0	0	2994	0	0	14752	Phytochemical	0.75	0.75	0.0
24	C11 H13 O7 N6 S1 Na1	397.05368	397.05414	0.030416533	397.0537	9739	10564	8805	7968	24755	9413	3264	2339	8746	6804	2904	3409	14998	8251	4572	4223	4823	34930	45286	2167	4854	12706	7163	3950	2399	0	2376	0	2883	0	1916	1380	6127	0	4113	1409	3689	6338	4769	1065	4734	5842	0	0	0	1791	5858	0	0	0	9395	9708	14518	0	12903	18298	9266	1922	2204	2542	3316	2188	15985	12785	6202	9048	6298	2860	1681	2816	4801	1740	1572	0	0	1584	0	1908	10597	3544	13072	3862	2779	1715	143128	20546	9966	15779	15152	4973	2507	3238	2141	14396	14865	0	8658	5608	85765	14047	7347	8844	3637	1790	2474	4545	14441	0	4960	21994	Organosulfur	0.6363636	1.1818181	0.54545456
22	C20 H12 O9	397.05542	397.05582	-0.18663132	397.05533	6083	8760	7869	5798	20199	8833	3883	4513	16574	4496	3568	5622	15993	7687	6742	3268	7939	25947	17648	5691	3613	20623	11830	6273	3578	2736	4449	1827	4784	4302	11003	0	8161	9404	15632	5774	6196	7004	5833	3995	6697	9007	0	0	0	4787	8937	0	8949	2831	7515	7791	16071	0	14029	16613	7968	7153	1483	4375	3303	2981	26307	19183	12936	17768	10396	5278	2723	2967	2928	5125	7303	1390	3359	3269	337	7931	15759	9007	12942	5566	2324	4039	22392	13259	15634	14243	19235	11821	2688	3087	4350	22000	19482	0	9674	8834	12754	19775	12541	8145	7440	2797	5007	6030	12719	0	6454	23569	Phytochemical	0.45	0.6	0.0
20	C20 H12 O9	397.05542	397.05582	-0.19105394	397.05533	10236	12136	7416	10732	18414	10095	3777	3521	22238	12855	5193	3317	18324	10934	7615	6797	5186	30150	23390	13089	10609	25184	7912	6390	4995	4276	6589	2521	2542	2410	0	0	6973	3881	16580	3544	4863	11299	4093	5052	12968	12333	0	0	258	7029	10121	836	3605	2062	11322	11498	14300	0	14984	17359	9175	6425	3507	5974	4462	1437	28850	20334	13908	23665	10589	4269	4267	3567	7739	3258	1558	0	4310	2735	0	1787	19033	14105	17902	4360	2894	0	23536	15547	15001	14017	12151	13731	4645	4453	6006	24503	20998	0	7884	8951	18938	22723	28634	4793	3574	3514	8489	5788	15977	0	8270	29972	Phytochemical	0.45	0.6	0.0
16	C20 H12 O9	397.05542	397.0559	-0.010073634	397.0554	4985	11973	4516	7197	13976	3993	1061	0	14696	14402	9524	1428	13469	5164	3623	0	0	14373	15192	8696	9911	23719	4147	0	1362	4941	999	2905	0	0	0	0	2788	0	27015	0	0	2041	2466	6985	7066	3129	0	0	0	4977	11338	0	0	0	6350	8201	7693	0	15159	11381	4211	2242	0	2613	0	4010	24705	9887	5115	14340	3646	0	4305	2155	3343	0	0	0	0	0	0	1768	4222	15253	7824	5607	1119	2486	14386	7688	9226	4832	6038	0	0	4435	0	25160	24581	0	5230	6273	13035	15245	14448	3307	1480	1919	4134	0	11540	0	1292	14908	Phytochemical	0.45	0.6	0.0
18	C20 H12 O9	397.05542	397.05585	-0.14318858	397.05536	14538	11059	8827	11263	19372	10848	4150	0	14374	18853	10820	3418	28479	8067	4615	4200	3091	21881	19374	9491	15914	29505	7118	2154	6213	4446	3277	3215	3920	0	0	5162	3274	0	23243	0	3882	5735	4263	6944	13503	6713	742	0	0	6785	8862	383	2542	2669	8606	9058	10883	0	17448	13784	9576	3624	3648	3129	5336	7187	29512	16089	9091	21472	9499	3589	5050	5274	8273	0	1824	1375	2322	0	0	2834	17242	19545	11244	7692	2661	5065	25978	13071	8244	10364	10239	6702	4890	5202	7586	28669	36713	0	8664	11109	18542	17701	16885	4356	2613	3165	5990	4073	15339	0	2954	26008	Phytochemical	0.45	0.6	0.0
6	C17 H16 O11	397.07654	397.07718	-0.11716099	397.07648	8149	7988	5635	7997	18464	6473	749	1003	21826	6157	5792	4440	32315	4325	2123	2603	1630	18631	17842	3064	7674	6441	7859	2218	582	0	1064	0	0	0	1233	0	2724	929	7049	1900	2944	3080	3393	3090	5695	6074	0	0	0	0	4247	0	1304	2049	9465	7526	10859	0	18371	24733	9889	2485	1688	3160	2818	2752	43935	23304	7056	22734	7486	2519	2709	0	2979	958	1141	706	1695	0	0	1757	6644	0	4746	1436	762	0	28894	8643	5956	8418	7438	4155	0	1623	3610	7345	5025	0	7833	7689	15713	37568	35332	4037	2904	2007	0	2635	19756	0	702	42962	Phytochemical	0.64705884	0.9411765	0.0
18	C17 H16 O11	397.07654	397.077	-0.053734276	397.0765	77295	68898	59580	52068	150003	104787	12867	7260	174334	38790	38334	34623	340362	87696	33354	14811	17985	195180	147306	27627	74130	79654	46566	14421	6216	14470	12813	11114	0	10647	14859	13362	34935	19419	59214	0	41808	38294	19038	30717	53860	48465	4893	0	1485	50238	67314	3210	25917	7740	74100	54639	111330	963	214392	147012	71799	16200	25203	15324	19419	51741	278532	185883	64302	187971	77241	24810	28491	20203	35566	14091	13464	8793	15057	18498	1692	28833	49965	44778	47775	56211	4971	11383	170325	65916	38349	45129	63279	19713	17409	25812	32925	98265	40398	0	63393	50463	129087	145248	152394	23427	38625	15732	44751	32466	113124	1368	9309	331902	Phytochemical	0.64705884	0.9411765	0.0
22	C17 H16 O11	397.07654	397.0771	0.12672128	397.0766	3195	6046	5488	3669	14951	9472	0	0	14277	5184	2921	0	25235	0	4557	0	0	15558	5975	2016	6084	6691	5234	0	0	1927	0	2809	0	0	0	0	1581	0	4825	0	1531	1973	1924	3702	4058	3115	0	0	509	5717	5719	0	1494	1135	6830	3156	8467	378	20578	8806	4150	0	2160	1270	0	0	31733	18642	3488	18227	1502	0	2104	2829	3381	0	0	1229	0	0	896	0	5539	3560	2845	5725	1147	1991	17734	5904	3344	1604	4171	0	4945	5199	1906	6887	4115	0	3848	4883	8852	9458	10316	0	1883	1789	3344	0	15046	0	2647	38707	Phytochemical	0.64705884	0.9411765	0.0
20	C17 H16 O11	397.07654	397.07706	-0.015736984	397.07654	8787	8398	11717	10869	28052	16755	2622	3012	29987	9584	5961	2946	52096	15034	6350	2477	2286	31772	28261	5982	11519	14155	8464	4119	1936	0	1155	4230	0	1968	2691	0	4358	2876	5616	0	4976	6194	3752	7439	5686	5642	870	0	534	10334	11655	1161	2497	1628	7967	7691	16382	0	31265	26292	9977	2080	5190	0	0	8478	46780	34285	8117	33080	9535	2060	4022	4626	4885	1376	2771	1737	3547	1865	515	4055	6837	10384	7831	11216	0	0	24418	12463	3870	9292	10333	1521	6699	6346	6006	13547	9687	0	9430	7393	16815	23704	20293	1892	4338	1310	10722	5210	19151	0	1927	56445	Phytochemical	0.64705884	0.9411765	0.0
14	C17 H16 O11	397.07654	397.07706	-0.09132351	397.0765	63211	68644	60000	66306	143066	80194	20153	18163	184629	54514	62636	35415	278876	57276	32962	25754	26305	158357	141109	43314	71939	105787	53648	19096	6931	2184	14549	17764	14723	15114	16439	18805	46398	19714	79057	14293	36048	41652	16916	28403	61873	50898	0	0	289	37757	76741	472	18713	17733	63216	52940	86535	305	180580	131761	66152	22124	31746	29700	0	49374	297997	203471	50311	181150	67050	25033	31407	11480	29176	18280	16034	9007	16805	16851	538	31017	53126	54922	44900	37902	4874	5276	148132	49945	44607	59779	63691	33203	8570	32899	32962	100839	57043	0	66322	58656	114954	155197	130575	32143	30643	15636	46046	32758	95199	426	10295	270755	Phytochemical	0.64705884	0.9411765	0.0
24	C17 H16 O11	397.07654	397.07706	0.0900735	397.07657	1833	1815	2287	3123	6730	5076	0	0	6983	0	1326	1509	22181	2991	0	0	0	10554	7395	2147	1302	2495	3153	0	0	1409	0	0	0	0	0	0	0	0	2089	0	0	1008	0	1336	1865	1331	0	0	0	0	2185	0	1186	0	1166	1817	6134	0	11234	4647	3047	1031	2094	0	0	1791	16750	8363	2062	9582	2772	0	0	2377	2959	0	0	0	0	0	0	0	2520	0	2283	2273	0	1054	8144	3508	1631	1475	1604	0	3948	2574	0	3091	5421	0	3320	2934	4656	6449	5354	0	718	1740	2593	2985	4423	0	0	20219	Phytochemical	0.64705884	0.9411765	0.0
12	C17 H16 O11	397.07654	397.0771	-0.102740474	397.0765	77651	70134	67176	72429	137011	70544	16563	18247	168795	62048	78349	38730	215965	46045	34912	33803	25350	159037	157243	50116	84446	149717	54723	30247	9144	2591	15352	11619	13101	12103	20704	16649	41177	15826	91149	13732	33897	36581	29253	28114	72719	56825	1593	0	0	32270	84631	426	18541	18499	74599	81181	83912	0	200274	140186	63169	30654	32275	32969	36218	44376	317938	190461	53155	175054	64596	25291	26161	10182	37078	21328	17017	9352	28676	16490	290	28742	57806	65669	51154	32620	9635	6984	140756	51128	45996	57935	62171	35999	14873	36595	40199	122194	54446	0	78218	61877	139525	168005	139623	51865	27882	13321	54355	30762	109572	0	14407	292889	Phytochemical	0.64705884	0.9411765	0.0
10	C17 H16 O11	397.07654	397.07706	-0.14511302	397.07648	58189	49690	50375	40103	108170	50302	11025	16498	131046	52456	67511	29706	188912	32065	23219	22838	25453	114937	107512	31924	68677	77663	40522	22434	5243	2320	16317	9681	9567	9633	14419	13605	25705	12841	69561	9883	23496	26279	19888	25285	46471	38312	1631	0	0	20750	52279	0	11847	17695	45266	57660	65727	0	114398	118826	45109	23752	14521	25899	19977	28378	231074	141071	50859	130894	45360	27183	20941	8198	20625	16817	11932	7387	17880	12058	0	16025	51501	41138	32579	18669	6148	4872	132523	39290	36104	51496	45185	32515	7062	14411	32407	104060	51828	0	53443	50325	102899	148519	126441	28275	22875	14763	28461	24369	81557	0	8375	220959	Phytochemical	0.64705884	0.9411765	0.0
10	C16 H16 O10 N2	397.08777	397.08832	-0.12151141	397.08774	12841	10434	11422	12262	15058	6950	2638	4305	21085	8421	14194	9809	31955	3555	4965	7123	7447	20474	19985	6044	17722	22514	9657	8221	1766	0	1705	0	2568	2222	4599	3204	9883	4076	17052	3102	7818	5527	8357	8724	19453	9750	0	0	0	4744	17954	0	3875	3728	11473	15598	13492	0	23360	15421	6271	8183	6756	9665	0	10972	45562	24564	8441	20005	10237	9722	0	0	4507	4549	5357	2858	5069	3121	0	5039	10286	5899	5792	5987	2101	0	22467	5048	7833	13333	11679	15092	0	5209	13692	21852	8447	0	11218	10398	14819	20855	18764	7596	8270	5428	0	11401	10765	0	2885	47102	Phytochemical	0.625	1.0	0.125
14	C16 H16 O10 N2	397.08777	397.0883	0.007105341	397.08777	22347	22350	20037	18051	39303	12300	7389	6726	51969	30573	16995	21465	74727	10713	15648	0	19878	29499	45660	9522	23235	58383	22638	10356	3813	0	6804	0	7788	7791	5502	0	28905	6912	34611	0	10872	12522	14901	17253	35769	13461	0	0	0	6867	17751	0	5262	3726	18081	25731	24408	0	61548	29010	17070	15057	16854	17739	0	24579	85383	57258	20559	50871	34020	19245	0	0	12225	3321	4863	0	10308	6669	0	11964	21183	0	12326	12498	4992	2625	39099	15303	14328	23706	20148	27393	9354	19281	20853	57276	14169	0	17202	25824	21240	28869	37770	9972	16182	9855	0	22143	26010	0	10869	108006	Phytochemical	0.625	1.0	0.125
8	C16 H16 O10 N2	397.08777	397.08832	-0.18123387	397.0877	5917	8348	6871	7553	11597	6170	1200	3669	18171	6393	9345	6428	23776	1111	4186	5297	6080	13278	15771	7664	14327	15689	6739	3754	954	0	1497	0	2338	1502	3740	2277	7848	4054	10509	3366	5989	3210	4227	4854	16606	8801	0	0	0	4265	11232	0	2169	3460	7232	6959	9793	0	20308	13913	8315	4516	3893	5163	0	8575	37150	26073	9713	17023	9919	7147	0	0	2867	3145	2379	2818	4827	3353	0	3509	4986	0	5291	2405	1837	1423	15797	5262	4209	11852	11267	10150	0	0	10685	10395	5169	0	7489	8372	13701	18542	13367	8053	5826	4983	6853	6618	10602	0	1434	35236	Phytochemical	0.625	1.0	0.125
12	C16 H16 O10 N2	397.08777	397.08835	-0.015180366	397.08777	9712	10156	8392	8674	16154	8325	0	3151	21832	6633	11428	10500	22896	3457	5872	6235	8507	20408	21729	7790	16436	25820	11568	5434	1418	0	3388	0	2089	2280	5299	2686	13114	3305	13253	2419	6244	7300	7246	7800	17057	7845	0	0	0	5510	12083	0	4533	3516	12286	10554	13037	0	29876	15537	7071	0	0	0	0	12214	46610	26203	7082	18152	8527	9318	0	0	0	4341	2264	1420	4388	2596	0	5728	8101	0	6466	8017	1399	2045	16599	5631	6549	10404	10360	11409	0	6607	12975	20050	5172	0	7672	7166	11978	14013	14091	6072	5537	0	0	10198	9910	0	1436	44838	Phytochemical	0.625	1.0	0.125
6	C16 H16 O10 N2	397.08777	397.0884	-0.09699263	397.08774	5200	7678	6500	6624	10850	4824	2336	2394	18706	0	6178	5282	24930	2022	0	4624	4754	15780	16952	6142	10668	9998	5476	2666	0	0	1918	0	2488	0	2342	2184	5318	2704	3402	1782	2610	3308	3088	4326	9648	6102	0	0	0	3646	7216	0	5824	2448	5524	6548	7836	0	19956	14612	6084	3168	2464	4916	4714	3184	40908	18206	7940	16816	6972	4896	0	0	0	1816	2198	1822	0	2514	0	1826	1842	0	3662	1626	0	0	15024	3882	1010	11966	11594	5852	0	2248	7972	8596	2804	0	6680	8066	9018	19282	14642	6650	4102	0	0	5830	11656	0	1620	34118	Phytochemical	0.625	1.0	0.125
16	C21 H16 O8	397.0918	397.0923	-0.09778916	397.09177	34486	36171	37082	34728	37894	16776	9948	7421	39593	127759	77053	9204	46928	22891	13203	18463	8375	39670	40159	84463	81957	65602	18648	15908	10358	98077	7671	51872	7673	4431	6585	8612	12015	4653	175624	5551	13150	13179	6321	47912	48340	10379	1406	0	0	34996	54204	0	7797	8864	33533	37605	22229	0	32899	26148	15359	11244	11623	15488	11002	31967	49413	28709	18032	38267	20473	12698	89901	107205	127179	7501	6461	3457	2545	6746	0	7212	28944	56764	26229	38680	9921	39684	37898	19783	25295	14671	14435	0	20186	20820	0	62942	80358	470	36656	33393	32792	32627	33332	11360	8709	14551	25327	16206	28654	0	11267	47189	Phytochemical	0.3809524	0.7619048	0.0
24	C21 H16 O8	397.0918	397.09216	-0.1873086	397.0917	13432	20524	15081	12338	18744	6917	2042	2068	21217	37477	21976	3167	19970	11697	4260	4249	5525	25330	22508	23838	24261	40961	10905	7582	5380	36111	4559	13318	2881	3249	2366	3315	5496	1930	45169	2609	4299	3482	5093	19001	20493	3694	0	0	0	18815	22553	0	1913	2708	13261	13937	16097	0	17876	14030	9872	3630	4988	5250	4544	13502	26807	17266	8520	20060	8624	4734	36948	42230	58718	3469	1650	0	1869	1493	0	3164	18965	25259	13550	16327	3366	15501	26309	13194	15122	7290	7046	9466	5771	3951	5762	46010	48221	0	15680	12622	15189	18908	15125	3426	5597	7898	13476	7674	15554	0	4091	27893	Phytochemical	0.3809524	0.7619048	0.0
26	C21 H16 O8	397.0918	397.09216	-0.24384661	397.0917	6080	6371	6724	8238	9890	4947	1527	0	11027	20321	9603	0	17059	3285	0	0	0	11308	14568	8656	14324	25692	0	0	0	13026	0	4620	0	0	0	0	0	0	25916	0	2840	2487	0	9492	12767	0	0	0	0	8710	11440	0	0	0	6880	8174	6183	0	13173	8739	4163	0	0	0	0	7024	14646	11392	3519	12366	4719	2797	22022	21580	37022	0	0	0	0	0	0	0	9937	17693	7181	5570	0	7352	16395	6627	6723	3920	3947	4631	2580	3768	5578	25066	24933	0	5480	9116	9887	11680	8974	0	0	0	0	3740	6160	0	0	14783	Phytochemical	0.3809524	0.7619048	0.0
22	C21 H16 O8	397.0918	397.0922	-0.18920203	397.0917	29603	32194	30714	30181	33537	19255	8831	7154	41698	80325	54717	6726	36309	20100	13061	13391	8191	47382	47135	53903	49996	67243	21031	12567	12308	91606	6778	34362	6657	8753	4893	4991	16167	5519	98950	6792	12151	10342	9437	40243	43893	14166	0	0	477	40533	51545	0	5813	6732	32266	23909	32085	605	40928	29491	15826	12595	11723	12560	11809	31145	58421	34007	19649	38613	25445	10013	72422	77024	102499	4272	3204	1044	4151	4775	625	7996	30249	49411	22499	35639	11713	34458	44876	26254	27756	19205	16911	23305	14940	21237	13656	77967	85254	0	29608	26788	33953	47287	38464	14584	8401	13982	27519	13141	27013	0	13882	48112	Phytochemical	0.3809524	0.7619048	0.0
18	C21 H16 O8	397.0918	397.09222	-0.14067909	397.09174	48867	51009	40073	46294	50292	30486	12870	12000	49963	171671	105961	9774	62446	30198	16536	22844	11010	59980	76310	110330	107262	84337	23050	13042	12689	140139	15184	80083	8692	4974	11999	7655	20098	7289	177874	8352	16428	15418	13059	72925	72705	19804	1905	0	0	57914	73600	392	13771	10189	47671	46364	31011	0	50544	37955	26722	20560	14041	15057	18869	50884	80820	45639	25275	54238	30281	15465	107917	141544	180303	10505	4827	5058	6050	7329	336	13380	41454	73392	34166	58099	16506	53105	54031	35812	34536	25523	24765	25957	34145	33501	27321	90556	134679	0	45982	48816	50267	41829	47302	19890	10312	24075	38146	12842	38823	0	17775	55102	Phytochemical	0.3809524	0.7619048	0.0
14	C21 H16 O8	397.0918	397.0923	-0.104324184	397.09177	21262	13480	15318	15517	19508	12299	5046	4712	26454	68870	45336	6206	15942	13427	4824	7041	4988	19838	18974	33287	47390	35669	9642	10730	4006	57660	5666	25319	1732	1776	4715	8622	6234	3461	85077	1941	6827	6886	6384	21404	37494	6878	0	0	0	23212	33110	0	6374	4663	19270	18640	12439	0	13655	11921	10104	7772	7631	5516	0	16079	28245	14655	8655	23605	6288	4419	51328	63302	80876	4547	4072	3257	4099	3679	0	2934	21684	26680	13252	20230	7578	19953	17554	8829	15103	5756	9551	10608	9909	13535	9174	37696	41911	0	15086	13942	18918	21766	20041	6803	4776	8524	24370	8875	14961	0	9315	21750	Phytochemical	0.3809524	0.7619048	0.0
28	C21 H16 O8	397.0918	397.0921	-0.2282446	397.0917	5507	3767	5274	3230	4964	2454	1266	0	5478	13338	4920	1384	9581	2699	0	0	0	8073	10073	6977	7025	11029	1992	2109	2592	7233	1505	3632	0	0	1335	0	1323	0	17323	0	1828	1371	1492	5148	10511	2197	0	0	0	3820	7942	0	0	0	4429	4860	4758	0	6184	3822	1109	1450	1404	2137	0	3962	7865	5298	2403	6640	3745	2287	13694	12155	24354	0	0	0	0	0	0	1007	6949	13351	4648	5265	1446	4475	9591	3660	5187	2770	2862	2520	1427	2942	1589	14095	18681	0	4733	3777	5383	8818	6273	0	1383	0	3476	1930	4059	0	1397	10115	Phytochemical	0.3809524	0.7619048	0.0
20	C21 H16 O8	397.0918	397.09216	-0.2006455	397.0917	49691	44612	41769	39717	49918	32056	12395	11558	59447	148589	83528	11312	54154	30415	17260	17973	12087	68110	63398	87172	83136	89006	27251	16628	15267	122371	12761	60851	9008	8968	8124	11205	15728	9463	162791	7312	20700	20463	12869	73401	60013	19723	2633	0	0	53687	69699	745	13839	9796	47531	44592	39329	529	44383	44259	24420	23916	15294	16423	15869	49149	81962	49797	28735	53408	29860	15594	110332	135102	152909	9552	8356	3234	7938	9354	0	11337	40034	77043	31268	53107	12913	53629	60030	31734	35129	24578	30443	26148	24644	30012	29401	101471	120086	618	41250	36318	51982	48766	49699	17113	10524	21868	47574	17275	44184	0	17761	67207	Phytochemical	0.3809524	0.7619048	0.0
6	C22 H20 O5 S1	397.1104	397.11102	-0.17203015	397.11035	0	0	0	0	1061	486	0	805	944	0	1336	918	903	622	0	2327	0	1038	0	0	0	0	0	1217	0	0	856	0	0	858	719	843	0	0	1141	0	929	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1319	0	0	725	945	0	0	1947	0	0	1315	2280	0	0	0	0	0	0	0	0	1151	0	50803	0	0	0	535	0	0	0	574	0	0	0	0	843	1151	0	0	0	0	1072	0	0	0	0	1138	684	1070	0	485	0	0	762	1155	0	0	1367	Organosulfur	0.22727273	0.90909094	0.0
6	C18 H20 O10	397.1129	397.11353	-0.19051257	397.11285	56766	33143	28519	30939	55058	16568	13345	19758	37755	53213	47764	44126	43263	15681	18669	27895	25507	43405	45613	34604	50007	65864	24730	27365	8122	13043	15097	16090	18670	19723	18640	18828	24716	16741	108968	19748	22433	17422	28396	18876	84300	40152	710	0	450	24331	35610	337	21367	21244	34517	56278	22657	504	85758	76900	20063	27401	19216	28817	26984	21080	56155	36094	18779	34901	23194	68388	29505	23251	44091	18910	19169	18449	8912	18880	362	16728	29720	15277	21322	26724	12943	9453	94324	26166	22467	43714	20466	52040	9993	14345	26873	30206	26353	402	34119	56054	30557	45147	93344	28447	16638	25126	20746	23648	37586	0	11477	51025	Phytochemical	0.5555556	1.1111112	0.0
14	C18 H20 O10	397.1129	397.11343	-0.09296776	397.11288	551199	525338	509950	532881	570140	473373	262710	395471	803435	1084305	591658	309847	1994534	273239	370739	358391	262551	874518	765159	942960	2106130	866118	429447	401089	205899	287822	214590	401182	310261	313080	330494	380890	962984	311384	1509188	322135	450502	341261	538084	1455334	573989	339389	12957	1742	1499	534218	615522	1518	352995	320283	525853	493192	450227	1650	2224472	955658	294716	380315	517836	289813	414399	1196164	2094500	1664990	263688	1350980	405708	261973	530215	612756	667875	377559	329039	310221	244982	332854	1136	336977	399445	436921	359196	456846	238272	306165	1026664	314660	335217	309637	766366	269215	305127	421907	828354	566660	642065	3492	555960	518013	515997	445301	383837	416695	310815	448678	551939	342227	417357	1387	222153	1905198	Phytochemical	0.5555556	1.1111112	0.0
10	C18 H20 O10	397.1129	397.11346	-0.119016774	397.11288	535008	534068	459058	450698	481016	155559	116568	358148	698780	1251550	799244	170234	755632	115732	311886	410142	312118	698700	333795	860264	1041438	362108	411038	410294	71301	145852	124694	197665	291612	302528	305466	334870	454388	289320	1498290	302044	393906	307308	203893	601212	759692	289266	7401	681	922	232195	650800	856	346346	324500	274669	544500	364192	1249	768872	459666	261566	382358	185403	193724	218235	459072	823254	663700	254092	289234	330004	400724	310341	265805	783118	368986	156855	133843	135710	311212	699	280744	469186	197609	394942	376456	120510	123428	585960	306350	361926	286980	318952	344860	122127	171183	424906	653596	716312	1339	513236	516392	553104	247626	465894	395196	287514	210160	232512	327280	473716	0	109065	865270	Phytochemical	0.5555556	1.1111112	0.0
22	C18 H20 O10	397.1129	397.11337	-0.09060212	397.11288	24975	25252	22785	17354	27922	26114	9636	20723	32528	32375	18745	19713	34038	15945	19183	14868	8368	41012	28338	31030	37115	21682	22785	16246	12800	11247	11185	6175	21722	13812	17816	10545	26169	13876	26489	15961	24660	19561	12149	17068	24825	12668	0	0	1108	32043	37442	0	19734	14825	18847	21626	22095	873	42226	24201	14429	16657	16521	12812	14265	25863	39353	30567	13267	26196	20422	11277	16215	29487	27423	20790	12217	19540	10081	14071	1517	14744	24597	10949	22061	23410	11320	14891	33859	19233	21033	13583	18855	6404	14990	17652	19102	14432	20594	0	25168	23877	25163	22328	20145	24395	13096	13949	22265	17501	26501	0	11038	48018	Phytochemical	0.5555556	1.1111112	0.0
16	C18 H20 O10	397.1129	397.1134	-0.115791105	397.11288	378487	360153	358001	376791	401380	347528	164514	298420	586077	649335	303126	210364	736452	192765	301380	233799	166606	700846	647925	595686	583649	526653	316327	279666	167283	181732	145610	210696	233133	220104	280910	269771	334900	228035	851360	228687	350351	242534	367932	472929	323363	216192	10589	2194	2063	415727	383435	2065	280161	244284	389970	364316	339590	2871	733218	343507	219800	263825	332916	165714	253505	372366	730681	554940	176453	501885	285055	319064	332554	453820	412260	295530	269795	227103	172256	238329	1469	237258	290545	252910	245738	342020	170384	217173	366385	225113	232246	202408	264254	171535	217120	341049	313184	337072	394827	4074	372198	354543	357632	291990	275109	274146	214408	263846	286947	275737	337013	2637	160644	829774	Phytochemical	0.5555556	1.1111112	0.0
12	C18 H20 O10	397.1129	397.11343	-0.089314915	397.11288	470776	514891	1015864	941544	840354	666542	240431	666136	1255048	2132976	641532	509296	1293632	172784	548124	341582	264794	1400578	1338480	1789310	1857684	817787	725918	374484	143747	246379	219444	375538	288543	271572	567404	300156	803424	269113	2840892	258502	359437	306075	286633	1186956	658897	550134	10301	1312	1338	903886	571311	1338	640152	327768	1019238	497553	719484	1233	1717632	829784	502672	658278	369320	343921	412257	1013830	1778316	1214478	412254	562987	648200	302577	547067	497679	657324	302567	296891	278400	248314	283180	838	529024	710470	446936	666962	736546	210432	262703	906904	534012	611792	475440	600932	312779	229526	357070	671500	609373	1192688	2915	524159	521352	525567	760456	332629	365810	254581	355297	425763	621676	767696	715	179782	1666924	Phytochemical	0.5555556	1.1111112	0.0
24	C21 H20 O4 N2 S1	397.12164	397.12207	-0.031143947	397.12164	1305	1407	2428	0	0	0	0	2701	0	0	0	1467	0	0	0	13574	0	0	0	0	0	0	3626	9255	5562	0	0	0	0	0	0	0	1240	997	0	1514	0	1210	0	0	0	0	0	0	0	1785	0	0	1084	2756	0	1530	0	0	0	0	0	17475	0	0	16591	0	0	0	0	0	0	0	0	0	0	1090	0	0	0	1517	0	0	5750	0	2616	0	0	0	0	0	9572	0	0	29066	0	0	8567	0	0	0	1742	1753	0	0	0	1217	0	0	0	2882	0	0	6060	0	Organosulfur	0.1904762	0.95238096	0.0952381
14	C17 H20 O9 N2	397.12415	397.12463	-0.19794714	397.12408	93786	80470	70814	91122	68222	59915	66509	88263	83170	72953	55974	69324	101979	31864	81862	89923	90932	95584	91039	66927	93589	134387	87639	96169	54360	0	56726	29034	73607	73794	74841	89357	109301	74145	103885	71435	110812	76631	80936	85119	92092	64951	0	0	0	79533	84217	0	74821	72456	80910	63408	62843	0	104659	48502	48456	98745	140812	69322	88466	92572	93953	84425	48961	85762	66085	74024	19202	24971	28474	76294	67290	71384	67531	67093	0	72329	75502	57952	60547	54313	48202	37551	67427	49810	75879	70591	73384	123030	60667	103109	155883	75777	71681	432	77756	82951	49268	52288	46500	93305	74055	85628	55236	102076	42240	0	55253	119295	Phytochemical	0.5294118	1.1764706	0.11764706
16	C17 H20 O9 N2	397.12415	397.12463	-0.12232859	397.1241	38636	39232	41299	39156	26533	28939	21320	36084	39262	33077	15949	32985	50534	14949	40097	42790	33473	47502	48439	31362	36022	51684	51400	46420	22758	4721	29157	11249	38223	30996	35441	35491	54474	27789	44098	42748	56755	36527	30080	44460	38336	30616	668	0	0	36599	42832	0	36769	34363	32065	40503	32392	394	49751	17705	23973	42558	38154	26895	42851	30802	47158	43101	24633	41636	32957	39380	7919	13218	12240	38990	35242	33833	32494	32094	0	32551	43001	17941	31670	27055	19318	16067	24268	25105	39092	34676	34958	37578	33815	44352	83815	33927	28151	0	38722	41200	20649	22460	20871	46876	27777	32828	23788	51704	26171	0	27851	64645	Phytochemical	0.5294118	1.1764706	0.11764706
4	C17 H20 O9 N2	397.12415	397.1248	-0.23483925	397.12405	16937	19227	15967	18261	13702	8441	6205	15569	17540	12938	14953	13920	22336	5399	9242	16601	23979	20083	22108	11909	20711	25636	13252	15935	4126	1924	7141	4076	9527	11091	11716	12350	16192	10162	20851	12741	14957	10585	24223	14511	24808	12637	0	0	0	12106	27610	0	13897	14095	16555	14057	11818	0	21053	16329	9757	14529	8402	18382	17164	10806	31853	19446	14607	18102	12035	27127	5087	3876	5715	11765	10599	13318	6720	11590	0	9314	11775	6841	11118	8082	5873	4767	18740	9803	10274	17449	16467	24480	7506	8153	25410	14519	10475	0	15114	18746	14643	22974	16621	16937	9228	16237	11594	15933	13857	0	7665	31010	Phytochemical	0.5294118	1.1764706	0.11764706
10	C17 H20 O9 N2	397.12415	397.12466	-0.17492679	397.12408	172042	174902	166404	153637	107916	102225	94857	197602	143417	185190	130906	153412	167455	46640	135204	180961	179370	187243	198524	175139	230772	261428	175214	184500	73525	18885	99663	67683	147381	141441	149218	165450	230831	146432	243350	158458	209178	136056	192105	221386	260312	116255	1874	0	0	163737	230441	0	154500	150833	189559	168449	109978	0	208561	95082	78828	180598	186147	165658	199754	170458	191862	164433	81503	144551	121578	219150	79230	64623	91724	183135	145344	146476	130453	142227	0	134735	130729	94890	116816	119321	93634	59135	113248	78294	122081	132413	139018	198883	93933	163836	279004	150859	148650	490	174024	185276	92584	84738	91494	217942	133602	191244	167918	190691	91364	0	91341	232866	Phytochemical	0.5294118	1.1764706	0.11764706
12	C17 H20 O9 N2	397.12415	397.12466	-0.1895072	397.12408	145460	148952	148084	125844	80532	94021	106730	172478	120221	121893	104235	122992	134893	39885	130410	126644	155005	167817	166517	153507	161664	263692	154560	152724	83002	13242	82334	50347	136962	111799	140931	129561	200492	121182	207501	120384	172411	129400	157551	180451	208122	101044	1714	0	0	144623	188870	0	131929	129348	140026	134936	104926	0	184238	76298	76531	142896	163470	141888	154958	157164	177480	128881	62912	134485	108339	174079	67131	56584	76105	133577	123857	117543	106871	110879	0	131532	118955	76576	99684	104326	73650	61660	81460	66249	117186	102314	117126	198195	79490	160237	236051	134065	99151	653	144787	146939	90560	68683	74433	179501	120614	131247	125729	179736	78559	0	81411	213949	Phytochemical	0.5294118	1.1764706	0.11764706
8	C17 H20 O9 N2	397.12415	397.12473	-0.16926448	397.12408	151723	166627	120566	165655	84157	88581	70953	145985	111474	156033	130448	137728	136904	37154	105171	159505	179334	148557	171981	144818	208448	226088	128844	165623	51026	14164	72938	49571	116737	122267	142171	134566	184283	120637	216876	119269	165966	101486	184458	169334	263076	110811	1490	0	0	150064	221557	0	150481	140718	150645	150065	94229	0	160634	78750	71961	124288	130213	158517	171399	141533	186041	144002	74774	128006	111136	189532	50710	48020	80702	136078	124929	117620	117435	119098	0	97145	112141	76096	92002	88693	68646	59703	95909	66774	94311	126455	119125	193773	74963	130234	201365	142307	123318	0	150931	154982	78585	93118	84009	183809	114532	167705	134526	162170	80085	0	73036	206233	Phytochemical	0.5294118	1.1764706	0.11764706
20	C17 H20 O9 N2	397.12415	397.1247	-0.03594569	397.12415	8310	10218	15744	9483	9750	13410	9147	14970	10870	5648	10764	12120	19161	0	12936	6447	8034	12234	11574	8934	10611	8886	14220	19146	8985	4624	5010	4938	13920	9903	15153	8247	9378	6240	10100	8532	17925	14922	12921	5033	10317	15165	0	0	0	0	0	0	13011	12021	15432	12774	8007	0	16923	5286	10458	12111	2251	7893	15921	5578	11226	11661	6609	11694	10044	5268	1743	1710	0	10977	8430	12783	14412	8826	0	8910	17139	8007	14685	6821	10836	0	5910	5505	10113	9681	10998	12342	0	10692	12996	12963	5022	0	8088	9993	8712	5496	8535	22113	7149	8460	4845	20112	14784	0	9387	25293	Phytochemical	0.5294118	1.1764706	0.11764706
18	C17 H20 O9 N2	397.12415	397.1246	-0.07265682	397.1241	44436	32586	36174	45186	39351	40434	35565	50055	31287	36561	18177	32940	62739	14874	39663	34629	34689	53652	62760	24564	22320	44832	52920	41391	30999	19149	23379	11826	30900	22593	42858	35490	59529	42087	34410	30201	45834	37485	23076	46923	26295	31506	0	0	0	45915	26877	0	39735	34518	36798	33447	36693	0	59274	31917	35649	51417	33699	18987	63609	20214	39309	44574	23553	44175	37902	31839	5170	17301	0	27720	32466	28803	29319	36705	0	31791	37572	14922	30225	14619	13881	12468	40284	27075	49170	35193	18093	47676	17751	62103	92766	14058	22623	0	26703	31341	23952	24483	36303	48549	26715	39264	13782	43107	42645	0	33666	71754	Phytochemical	0.5294118	1.1764706	0.11764706
26	C22 H20 O7	397.12817	397.1285	-0.23115216	397.12808	12292	13902	12870	12793	14817	7516	2867	0	20027	29216	21918	4533	28130	12142	0	7895	0	16351	18777	21965	31662	20802	6444	6889	0	47895	1759	15782	0	0	0	0	3791	0	43290	0	6351	5502	5491	22542	25313	0	0	0	0	17143	19082	0	4662	0	11276	13803	12539	0	21366	16208	6699	3341	4191	5183	4975	11701	26198	16865	6087	17509	8324	5793	62865	57082	80818	4184	0	0	0	4164	0	4154	11980	15268	10847	12267	3750	16919	24473	7937	11269	6536	6422	3278	7064	6313	6813	23947	24558	0	12908	17868	11828	21271	21454	4485	3467	7926	8589	4970	11543	0	4797	25245	Phytochemical	0.3181818	0.90909094	0.0
24	C22 H20 O7	397.12817	397.12854	-0.20500602	397.1281	33801	30669	27872	33742	35889	19687	7805	9824	41488	82691	70454	7988	46014	21337	15211	12436	10122	47564	41775	68412	70727	43488	14780	17111	13758	138677	6983	56914	6768	7686	10082	9723	11107	8331	90881	9734	10994	10619	14279	51393	55317	14625	2503	0	0	39677	46573	0	10691	8712	29574	33703	31377	0	39995	35945	16300	13744	14616	9486	13166	42627	58239	30503	12000	44612	22327	12205	132255	136883	180402	9549	6110	5901	5983	9336	0	10241	26844	42398	23360	30787	10067	47813	47655	22070	25407	17720	16580	11809	17871	19496	16911	48051	61360	0	31905	29170	36201	38695	34297	12578	9570	18127	30716	13472	30341	0	17807	46687	Phytochemical	0.3181818	0.90909094	0.0
20	C22 H20 O7	397.12817	397.12857	-0.17178228	397.1281	110153	116233	111760	97660	104406	73293	38672	52717	117335	315305	231656	36436	128517	84216	54187	59796	37655	125945	137093	269689	286373	153542	54223	67585	53042	492215	31493	189402	44277	42233	35550	34154	49720	42412	354833	33848	58173	43119	44090	203110	189843	61954	5413	822	683	134778	155444	1659	48821	39725	108067	116767	80532	1033	94849	96640	64963	59353	49098	46730	52107	128450	136057	85224	56479	125654	82377	46229	420232	490031	580934	38903	37280	30854	31622	40750	682	31237	87376	120415	68449	101153	44821	165625	119336	67789	84825	62406	59276	65860	79218	87135	68569	136691	172086	1981	128536	109360	110279	102622	88049	57057	37598	71816	95303	51635	90924	1282	46836	140552	Phytochemical	0.3181818	0.90909094	0.0
12	C22 H20 O7	397.12817	397.12863	-0.29381928	397.12805	19582	18217	14962	20675	10907	5819	15379	13877	12063	32949	20589	11461	7899	5123	9129	16031	16748	7092	15477	37877	29619	17093	13716	16660	9570	39783	15268	15012	9556	11523	14949	15633	14537	12287	36585	10546	12729	13004	15375	22058	31912	9091	573	0	0	17435	24630	0	15520	19206	21921	17073	10237	0	9377	9359	7890	19084	12013	15389	0	16426	13891	12806	5716	11665	9224	15755	33250	49413	55753	14850	11493	13472	15936	13001	274	11195	14485	19391	15837	18846	14298	15104	13799	7267	14306	8309	10485	24004	14102	18355	18277	15391	18193	0	18565	14394	11473	11309	10113	13543	10111	24084	19653	13455	9684	0	13200	11552	Phytochemical	0.3181818	0.90909094	0.0
14	C22 H20 O7	397.12817	397.12866	-0.20590635	397.1281	45574	46444	32145	33558	26301	19673	23404	29897	26413	73931	53343	22522	29532	24537	26621	29623	21399	27121	27294	66684	66082	52063	23262	37943	16423	98857	25485	47224	17263	22587	24578	29154	26436	24306	82942	20842	21569	22077	30227	52408	57055	16474	0	0	264	35881	61328	0	30612	25410	40286	37309	24338	0	26778	21521	18867	35512	23499	28001	30643	31625	31553	24483	16176	24138	22000	28120	98288	107889	137574	23499	22443	21227	18700	27956	259	19633	36915	36958	32453	37753	25000	36689	34178	15538	32706	23749	25121	40338	30501	27889	41930	34530	44092	594	38399	32444	27301	29490	27841	16669	19776	34697	28734	27387	19925	0	24755	21510	Phytochemical	0.3181818	0.90909094	0.0
18	C22 H20 O7	397.12817	397.1286	-0.15420482	397.1281	120013	113487	105367	104380	91594	67627	43661	56605	94120	277474	223254	41347	120930	64249	46883	64406	44714	102634	134227	249366	232186	125662	62205	62852	47646	399669	38048	175385	45212	42734	49314	39908	57969	41104	299255	47659	60203	47196	51160	163311	171659	47262	2759	378	0	106650	112806	635	50119	47738	104020	100023	73491	517	95993	81371	57133	74605	52971	48117	59916	115708	122396	75478	46950	95891	72516	56981	337976	408105	554307	50590	36751	36068	39097	46176	497	38947	107673	106143	75406	99318	47057	116622	119584	67207	81735	65684	61313	65350	75409	91075	85128	116529	145977	1463	100626	100817	98514	86450	85702	52527	39969	69905	74766	55368	71356	510	54660	103009	Phytochemical	0.3181818	0.90909094	0.0
22	C22 H20 O7	397.12817	397.12857	-0.19706188	397.1281	80215	83944	71055	79858	71958	56052	20658	32491	82198	215556	164407	21439	73066	49445	35342	33214	15673	91735	95710	180595	162636	99026	41567	37619	32868	335198	19555	151185	23472	20506	25207	20174	36880	24415	232784	23883	35680	29138	26589	129304	125705	36398	4385	0	592	100607	108015	0	27130	20918	77406	84213	69236	790	71867	69205	39968	36685	31413	28706	36820	95176	110231	66322	33941	86967	56830	23381	279799	341473	387823	23825	18184	15893	15001	22955	711	23903	71277	85428	54035	81017	32255	94064	98562	48693	49758	43953	41415	39947	48823	50710	50519	113745	119631	0	64544	65151	77168	81780	69198	35120	22985	45331	71783	35664	70204	0	35712	101681	Phytochemical	0.3181818	0.90909094	0.0
10	C22 H20 O7	397.12817	397.12863	-0.36181563	397.12802	8048	8736	3934	4697	4624	3456	5848	6598	4294	12524	8447	4593	4111	2990	3945	7938	5304	2945	4112	8475	9847	10035	4172	4920	4162	17033	4617	8512	5626	4563	3806	6779	4553	4651	11981	4085	6738	3980	6355	8153	10501	2478	0	0	0	8820	12213	0	6669	4555	9336	4873	2879	0	3279	2436	2708	6907	5909	7758	0	5489	4076	3763	1832	4655	4826	8468	12248	12911	21831	5935	5458	5477	4754	7006	0	4778	6616	5080	5618	8399	5081	5538	5848	2924	7609	2799	3082	9522	0	3241	6613	4947	5237	0	5988	7475	4823	4212	3388	3709	4978	6620	0	6474	4195	0	5596	2043	Phytochemical	0.3181818	0.90909094	0.0
16	C22 H20 O7	397.12817	397.12863	-0.1906942	397.1281	63775	69206	63872	70499	59068	36417	28374	39445	55407	162806	126198	30746	64106	41051	43823	50703	31726	60435	79486	154716	143755	82313	43755	54154	29401	234058	29372	92739	28784	35428	34807	40676	40582	30511	176638	42103	45618	33715	38981	103606	102406	33273	1419	545	379	75161	86370	613	50222	44610	59394	68668	44618	397	49521	46899	30900	50168	41823	42705	44477	67338	74568	47098	27694	57417	40161	36402	192897	254511	303811	41386	34486	33221	31780	41902	617	31417	63773	79266	51245	73860	43685	82669	73112	36265	52808	33203	36378	73714	44616	51366	59243	70379	93865	549	68008	69188	57588	56070	52889	41161	30258	42821	47759	48277	49576	462	40489	65213	Phytochemical	0.3181818	0.90909094	0.0
28	C22 H20 O7	397.12817	397.1285	-0.24881588	397.12808	7028	6066	4342	6202	9617	4015	1881	2690	6546	16960	9874	2021	13510	5239	2713	4086	2377	7525	9620	10647	13811	9620	3252	3150	0	22653	1247	10563	0	0	2326	1465	2659	2320	17639	0	2367	2636	2871	7773	13695	2514	0	0	0	7213	9585	0	1776	0	6159	5974	6399	0	7455	5153	2981	3590	1924	3661	2533	5823	12492	6793	3428	9962	5749	2916	29924	29676	40762	1528	0	0	0	2410	0	1198	6421	12767	6605	5801	2938	7765	10426	4409	5519	1814	2797	3382	4278	4557	5511	10697	14713	0	6462	6323	5079	9139	11083	3020	1952	3395	5090	3172	5791	0	2763	11151	Phytochemical	0.3181818	0.90909094	0.0
24	C19 H24 O7 S1	397.13156	397.132	-0.074407764	397.13153	8500	5394	6826	9041	10436	6137	3387	3471	7428	13444	8507	2447	11043	5712	8435	6158	6318	8574	11307	16376	13557	12726	3639	13060	4691	8108	1724	7359	2264	2137	3808	3513	4055	3424	18204	5003	5409	2805	5908	11333	14500	3862	0	0	0	6833	7184	0	3367	3233	10666	8578	5994	0	5896	5921	4107	7384	7281	2435	6721	7025	5607	6162	2427	7774	5740	2712	8931	23373	11826	3262	4483	3127	4749	2998	0	2705	4173	6049	2565	5441	5752	9737	6754	0	6485	4956	4521	9317	18528	13491	16318	10854	10219	0	6649	8378	5240	5862	6662	5017	1649	8132	5116	5902	5564	0	4091	8173	Organosulfur	0.36842105	1.2631578	0.0
22	C19 H24 O7 S1	397.13156	397.13196	-0.078417465	397.13153	18637	23139	25966	20662	14852	15406	8495	10114	28406	75078	21178	6420	24371	6633	22230	17135	9746	20523	13329	55213	60891	36079	11565	12710	13100	32721	5251	24012	12159	5265	9724	8172	12904	9519	65705	7436	11523	9915	9515	42288	20210	9122	0	0	0	22983	12147	0	9828	7672	17306	18542	12037	0	17456	11758	8662	13319	25958	13466	15870	35494	12390	9676	6960	12430	13552	9713	23531	53931	35300	6373	8820	6586	9456	9554	0	9565	9030	17650	9289	14525	14020	28720	11998	6680	9740	11904	9130	17548	48214	58646	15252	24560	56404	0	18884	18450	10791	9827	13162	11828	9663	22796	41770	29408	9020	0	8768	19599	Organosulfur	0.36842105	1.2631578	0.0
6	C23 H24 O4 S1	397.14682	397.14725	-0.3444063	397.14667	1818	2042	0	1485	702	0	1000	0	1010	0	0	1116	0	0	0	1246	1377	0	0	0	0	0	976	0	0	0	1254	0	0	1012	0	0	0	1466	1070	0	0	902	2529	0	0	0	0	0	0	0	0	0	0	0	1579	881	826	0	806	758	761	0	2324	1472	0	0	0	0	1393	0	0	0	0	0	0	1669	1048	605	38101	1076	0	1289	961	0	0	0	0	0	0	0	1421	0	0	1396	0	0	1469	881	0	0	1379	0	895	1170	0	1540	0	0	0	1293	613	0	1179	0	Organosulfur	0.17391305	1.0434783	0.0
8	C23 H24 O4 S1	397.14682	397.14737	-0.035790358	397.1468	1429	0	0	2349	0	0	1959	0	2245	0	0	2675	0	0	1802	1983	1296	1453	0	0	2810	2891	1505	1705	2308	885	2189	0	1423	2256	1299	2185	1271	0	0	1309	2267	2228	1513	0	704	1143	0	0	0	0	0	0	3207	1764	2243	1928	1697	0	1965	957	1769	0	2286	0	0	2238	2251	1011	2007	1341	3359	1265	0	0	0	1807	1853	2174	64125	1874	0	2440	1566	0	881	1015	1878	1411	1844	0	2010	1355	1422	2712	0	0	5125	0	0	0	0	0	2482	2100	0	0	1900	0	0	2118	0	0	2098	967	Organosulfur	0.17391305	1.0434783	0.0
22	C19 H24 O9	397.14932	397.1497	-0.18949135	397.14923	102987	101928	82135	94687	71358	87019	52427	110922	99831	169828	70709	61976	121931	42708	95763	71719	46894	144620	103483	129936	134531	87394	91796	111904	77614	72430	42822	43643	95101	83266	87789	101365	99823	86830	173303	94450	109411	73950	51453	103614	67627	55552	4953	0	2496	91031	67082	0	92868	93081	88886	93805	62908	2368	134891	84388	58646	94590	78777	42093	84478	75306	138274	103230	48122	97027	65845	52037	67082	155899	112708	106960	80298	94575	45532	80306	2168	74739	104864	33876	87762	57298	62939	58956	96041	66638	79874	54005	67628	57864	74855	88499	106699	45756	70969	3342	93321	86708	66597	78858	68290	92646	68803	89840	67992	82611	59521	0	61825	151683	Phytochemical	0.47368422	1.2631578	0.0
28	C19 H24 O9	397.14932	397.1497	-0.17478035	397.14923	11380	9077	9559	9858	8753	8442	3994	11399	10422	21664	9299	6189	12611	5422	9542	10052	8380	12853	9603	24703	19776	10300	11788	11353	7584	13806	5865	8064	13764	10916	8335	8638	13321	11677	25051	11597	10041	9110	8749	11449	9456	8625	1805	1462	0	8908	7712	1474	11982	10362	10055	11127	7078	0	14107	9312	5467	10313	6843	3804	11778	7686	9390	9205	5750	9849	5290	5636	12294	22565	15966	12758	9608	11040	7191	9671	0	6885	8690	5081	6332	6203	7760	8278	8089	5612	9203	5396	6272	5385	9002	9486	11827	4036	6521	1282	12029	12072	6029	5688	5644	10988	9196	7049	7191	9207	4553	0	5463	12602	Phytochemical	0.47368422	1.2631578	0.0
16	C19 H24 O9	397.14932	397.14978	-0.10616494	397.14926	2818184	2876286	2870154	2879560	1041418	995337	1597712	2996858	2936644	6645182	1228579	1637484	3336456	606573	2651718	2404448	690789	3613566	3842752	3006226	2610491	3339206	2611928	2876142	2029066	1398725	1360714	1065479	2720756	2452180	2693204	1381509	3029518	2266190	7789982	2628404	3116344	2081272	1527412	4062562	1955758	837522	29498	5556	4398	2765212	828236	4489	2886536	2624430	2922920	2923414	2076284	6851	2134341	1018907	1404746	2764570	2739048	665694	1258027	2454746	1754632	3003796	527829	2665684	2025996	1352202	1265383	2793831	1636132	2905056	1379634	2868762	771551	2582704	3106	2073744	2244476	686145	1917712	1778480	1992828	1126083	1012493	759807	1929716	1408082	1917226	796531	1098918	2941564	1594218	1695560	2921844	12057	2897674	2939434	917122	730394	773443	2658472	1659036	2619038	682703	1263382	890048	5071	1752878	3845152	Phytochemical	0.47368422	1.2631578	0.0
24	C19 H24 O9	397.14932	397.1497	-0.1690764	397.14923	31982	29723	27461	26197	22955	25174	13289	36444	31844	55255	17424	22552	52062	14723	31901	26756	13917	44985	43667	47722	51095	29248	35544	30496	19849	20964	11570	12044	33737	23955	23193	27017	30883	31717	63200	23759	36990	20304	16692	34371	23289	15816	2846	0	0	28112	22080	0	32714	27442	28554	26580	24206	0	48684	26020	15198	32795	24687	14788	28894	23911	42193	35882	17799	35894	19494	16057	21492	50071	35202	34905	30792	26839	16569	27430	0	28057	33738	12440	27848	19013	18762	16821	33748	23104	27583	15787	20810	10986	24378	23871	30898	17415	25248	0	28093	25294	20907	23678	22357	24431	18397	28970	21672	21813	21617	0	19534	50245	Phytochemical	0.47368422	1.2631578	0.0
6	C19 H24 O9	397.14932	397.1499	-0.26551867	397.1492	27798	29301	49726	51658	12684	28300	37408	62620	42834	60192	42782	42920	18197	16200	47146	67384	50726	35756	46070	34495	42759	55294	52160	68782	25822	40120	34842	14865	60910	33490	54060	68178	57996	43810	33964	52360	49650	40836	36612	39382	31101	32630	1206	629	904	28785	65838	699	62980	35261	27108	46314	25100	839	52022	36918	25350	54378	49612	28804	63048	21684	43228	35032	28394	15656	15275	74844	28998	30033	34830	24959	53504	32595	23986	51762	820	20784	25318	13116	24310	20614	22701	26468	39274	27592	23433	23396	16788	61250	10229	44732	52980	35312	41984	1339	28559	55064	28178	17979	25496	59264	21570	64290	28914	42912	35244	646	34740	36270	Phytochemical	0.47368422	1.2631578	0.0
12	C19 H24 O9	397.14932	397.1498	-0.15962178	397.14923	1326012	1408826	1434612	1390930	713068	648706	1004814	1503326	1021142	2100172	680322	845684	910540	363878	1061522	1484260	1067238	1173742	1337266	2239250	2038422	1553316	1211856	1589466	824162	1422102	891480	562178	1295928	1276094	1275356	1325782	1366832	593104	2541014	1244546	1259874	1042590	1176524	1545072	1437698	708574	12631	2984	2315	1393650	1273016	2201	1443180	1413872	1397538	1407224	765594	2605	1429090	754058	565048	1398702	1330040	587720	819162	1093058	1282112	1024254	443148	904316	743160	1116734	841032	2042806	2064986	1302070	631770	1402324	1124468	1316586	1160	1035508	1199814	429857	1185444	983216	548080	936646	887104	610338	1028906	563290	746236	1232830	908632	1207164	1365932	926694	1125082	7101	1443030	1478250	875494	691590	692238	1273394	448517	1478280	568545	1105680	727318	2240	914442	1176508	Phytochemical	0.47368422	1.2631578	0.0
26	C19 H24 O9	397.14932	397.14975	-0.09351559	397.14926	13371	11263	12210	12353	10986	11249	2471	12440	12530	22153	7630	8805	19019	6143	15238	10361	5939	19672	16081	24260	28328	13127	16915	17317	7748	9493	5196	8961	12919	11323	12400	15387	12501	14968	25103	16089	18825	7287	9927	13301	9968	0	0	0	0	12018	12863	0	12750	9160	11813	11844	11217	0	19359	11349	6946	15196	9361	5351	15470	10596	18659	12201	4377	14267	8314	7169	15455	19600	16537	13630	16218	11924	7577	12817	0	9399	10561	0	9466	8406	8255	8450	11965	8803	8523	6560	7620	5582	12972	15057	15980	7139	9691	0	14385	12911	6574	11817	10759	15082	11857	9447	6444	8615	5962	0	6942	18451	Phytochemical	0.47368422	1.2631578	0.0
18	C18 H24 O8 N2	397.16055	397.16095	-0.20528086	397.16046	76368	68079	81687	63747	48639	60312	47484	109011	51477	77538	25074	40266	63306	21213	100089	86574	51207	100515	79521	62481	50115	65214	69891	103284	78645	19405	54261	24840	92265	81720	79539	86322	110223	92070	63384	88113	92472	67224	51375	83802	39876	49053	1179	0	0	48258	36945	0	89379	69657	73458	63603	48663	0	75018	26628	33483	88851	72456	33231	94629	39960	53859	42381	27576	74403	75804	41256	0	26847	30120	95463	77379	88248	60813	77142	0	66351	54654	38271	58515	41724	58395	26151	27099	34890	55275	60456	64983	69111	94488	124563	137067	26976	48264	0	74169	76392	31620	23187	16059	86694	49509	76176	22947	94734	33195	0	72255	88560	Lipid	0.44444445	1.3333334	0.11111111
26	C23 H24 O6	397.16455	397.16498	-0.18769316	397.1645	34259	39863	34313	30311	35456	23014	9049	24373	33353	50710	58360	11148	49765	22149	22665	23193	14015	43533	50060	68311	69653	35140	20084	26564	17782	117606	8212	50606	13833	19732	19118	13945	21972	12667	69956	17079	23885	14560	17750	52824	61266	16307	0	0	0	31515	41072	0	20954	16355	31676	27374	25985	0	26774	31059	19510	21416	17343	13053	21336	30778	40126	25245	12659	38256	28945	16454	133970	113850	171009	13911	15921	16645	15599	15925	0	14093	32463	31145	25103	26769	17153	40847	47151	18654	29497	20857	20095	23189	24271	19787	31781	32962	42480	0	34696	34603	27812	51851	39144	19198	11597	27977	17002	16427	27330	0	18271	45653	Phytochemical	0.26086956	1.0434783	0.0
28	C23 H24 O6	397.16455	397.16495	-0.21278255	397.1645	13185	13424	10857	12169	14050	6878	4129	5033	12154	18378	14611	4801	18379	9295	4993	7442	4651	11206	14059	18439	20073	13075	5632	9796	5006	34907	4955	16017	6629	6728	5656	5871	6814	5235	22458	8266	7560	6145	6279	14141	21125	9190	1336	0	0	11859	14223	1485	8319	7922	10899	12673	12700	0	10201	11617	7398	9013	6433	6043	8916	10350	14155	8829	6529	16786	10282	7100	50902	43334	61515	5038	6376	4472	4707	6241	0	4422	12232	12498	8128	7875	6306	14119	15479	7680	12279	8044	7594	8967	8324	8969	10075	11013	11569	1513	12739	10994	9651	17859	20208	8809	5234	8169	7455	10425	13282	0	5669	13569	Phytochemical	0.26086956	1.0434783	0.0
22	C23 H24 O6	397.16455	397.16495	-0.180039	397.1645	217921	214030	198799	200382	208692	137296	76802	143195	200779	438582	384242	90757	196357	138096	108304	150195	111392	203716	210742	480200	475399	225519	142563	163425	137659	1019955	76037	353246	127713	117509	113392	138015	148770	124848	449145	120207	154612	104689	108085	338082	342714	113879	7203	0	1411	214866	209628	3320	129966	117285	206534	209878	157080	1995	185031	172786	112937	156671	114694	108648	157915	236974	205332	152856	91951	219940	162645	122496	819786	997721	1096976	127120	108359	100397	78688	117348	1230	98039	190263	162186	152075	156655	113104	266959	213777	135321	170310	130309	137387	156244	171055	189062	194995	193467	255770	4669	201654	203809	161206	179129	166228	156109	98222	171038	147359	139399	155610	0	115144	233775	Phytochemical	0.26086956	1.0434783	0.0
16	C16 H28 O11	397.17044	397.17072	-0.21866396	397.17035	123630	155260	101780	117450	97860	96464	131440	176828	75862	249350	196690	86628	123492	49160	90834	203974	149420	131264	172926	294300	207170	158090	120920	247930	103410	303036	68120	229270	122700	133480	116686	172170	163790	157246	224030	171408	173520	92740	114386	177130	236960	92420	1347	1668	895	131792	199770	1723	158506	159008	99770	117370	139906	700	157790	72454	69110	170076	98254	113900	139300	147990	91790	93796	92080	108438	71810	131836	253250	301980	403550	104850	135468	158214	104230	122190	750	97276	147274	124190	129228	116720	109950	195770	86336	83280	143114	105220	125918	0	211710	184726	0	143670	199740	1364	174830	162228	72940	66388	63108	153450	104324	144670	79440	156030	63350	1534	118560	108452	Unclassified	0.6875	1.75	0.0
10	C17 H24 O7 N4	397.17178	397.1722	-0.3019254	397.17166	8489	6141	4483	7070	2772	2140	5442	9654	2326	0	2482	4001	2941	3566	6762	9253	6910	4247	3496	0	4500	9166	6063	5193	7353	0	4189	0	7783	4639	7193	7898	5987	6376	1292	7062	8454	5738	10010	3111	1926	1957	0	0	0	5963	2933	0	10619	6299	6557	4597	3963	0	3675	1031	2282	9683	3884	3709	0	2232	2709	1713	3196	5172	2020	7051	0	0	0	8151	5696	4644	4234	4333	0	3981	7795	0	5368	2140	5842	2327	3295	2731	9668	5298	4373	15538	11056	13193	20089	2720	4215	0	6557	7166	2431	1802	1687	9994	5420	6042	0	9801	5470	0	8086	2879	Peptide	0.4117647	1.4117647	0.23529412
4	C17 H24 O7 N4	397.17178	397.17236	-0.29110268	397.17166	6887	8303	8800	7155	3760	4280	4759	9200	4137	2311	2597	4448	6590	1849	8432	9564	9924	6555	8316	5530	5416	11933	8276	8610	4997	0	5686	0	8256	6201	8751	5847	13671	6933	5830	7763	9641	6573	13549	3673	4866	5112	0	0	0	6564	6136	0	10112	7298	6453	7000	5666	0	7228	2722	3828	9225	7143	4938	10047	2645	4855	5422	3504	7041	4708	10191	0	0	0	7184	4865	5435	3187	5904	0	6154	6748	6768	5092	3250	3165	1153	3107	4788	7062	4976	6238	16191	12628	11424	22449	3470	2253	0	6239	9034	3766	3101	3334	9485	5649	7474	0	10512	4651	0	4827	7890	Peptide	0.4117647	1.4117647	0.23529412
14	C13 H25 O3 N8 S1 Na1	397.17407	397.17456	-0.033280846	397.17407	63468	49760	30136	33232	18976	13688	29040	63932	33660	70056	72884	24598	22532	20156	35620	34744	49016	49704	22824	102056	106448	40636	32439	47764	51088	117332	21252	61892	62774	45108	64840	35872	43652	39128	61744	61432	34384	37400	56536	77076	61640	27016	0	5336	2944	36008	51648	5204	59988	39064	48492	42536	21880	3228	36956	20552	21472	65100	27620	34212	0	45968	26840	11580	15552	20239	20020	39996	75492	154464	130300	26420	33776	45336	25380	39734	2864	27130	39880	0	48457	27668	20112	46968	20384	21748	37328	21892	24256	52904	50680	39616	94608	41660	60964	3852	37080	37480	17288	26008	23352	34720	41852	42340	0	31168	21224	6604	41428	23840	Peptide	0.23076923	1.9230769	0.61538464
8	C24 H28 O3 S1	397.1832	397.1836	-0.19048576	397.1831	0	0	930	0	0	0	1629	1326	0	0	0	0	0	0	0	0	1206	0	0	0	0	0	0	0	0	0	1384	0	0	897	0	0	0	1130	0	0	0	1405	1557	0	0	798	0	0	0	0	0	0	0	0	0	0	0	0	0	0	833	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21809	1402	0	0	810	0	804	0	1013	0	0	0	943	0	0	1565	0	0	1654	0	0	0	0	0	0	0	0	0	0	0	0	1142	0	0	1205	0	Organosulfur	0.125	1.1666666	0.0
8	C20 H28 O8	397.1857	397.1863	-0.29736254	397.18558	41404	21680	15585	40040	9078	7761	19396	29422	13179	18465	12184	20452	10627	5668	43424	27906	52612	9928	23296	20719	21383	41898	21797	60702	32948	14368	23466	10799	25175	48586	43596	24678	34436	19268	20436	25919	22280	18436	58550	13430	34552	10578	594	510	696	25860	23884	561	25739	25266	20142	23388	24460	475	18378	21586	17234	24420	21056	20047	23929	10806	27650	27168	5989	19418	20252	60456	15654	16008	16420	34146	22919	55914	17592	24636	385	18352	24383	9084	38866	16942	38944	12039	15399	8454	23929	14878	12711	26566	17602	22841	52730	11343	17330	838	46770	23334	14303	16199	14046	45836	30558	51248	8481	36262	11286	664	16937	10486	Lipid	0.4	1.4	0.0
26	C20 H28 O8	397.1857	397.1861	-0.1936581	397.1856	21803	20547	19693	16497	16847	13978	8932	23690	16862	28996	9323	13540	39177	11259	16990	21787	13002	29874	28828	36916	28536	17098	18387	30133	9637	11132	9218	11255	26044	26778	20226	21413	28682	19868	35233	26028	27819	11823	14605	19762	11684	12060	0	0	0	13428	8624	0	25019	15215	18308	19547	14748	0	28205	27585	10170	20490	12267	7445	21406	13443	27385	20512	7020	28185	14872	13416	14100	35122	16859	22409	20509	22294	13163	19759	0	14288	17127	0	15381	6318	12404	10540	18532	12950	18935	10866	10607	12250	20635	17817	27982	8117	21630	0	21260	17482	10875	29850	28946	23473	11815	20393	10933	16658	10550	0	10923	22932	Lipid	0.4	1.4	0.0
20	C19 H28 O7 N2	397.19693	397.19733	-0.1132099	397.19687	15167	10880	14228	28632	14256	15604	14260	35988	7336	17972	5900	18156	11492	0	19248	31592	24744	29100	28612	17916	19723	31308	19252	27008	29352	4594	17088	11484	34448	26484	10600	29880	48212	23480	13624	18124	39032	16972	30228	17828	2564	17280	0	0	0	9652	7516	0	27152	17540	25528	22576	14992	0	12168	15536	7796	33768	18832	8781	28056	13236	17108	8264	6956	8740	16644	22592	4954	0	21777	22548	22940	27500	5877	19168	0	11948	18732	9800	13320	11612	17252	0	12900	9448	23192	23080	18276	38532	55092	50428	58316	6412	12232	0	20096	36040	11612	10680	6152	28460	18876	26432	10124	32892	10892	0	21356	22940	Lipid	0.36842105	1.4736842	0.10526316
26	C24 H28 O5	397.20096	397.20135	-0.18032229	397.20087	101361	98467	96456	86302	105937	67442	43217	92610	88009	126519	170716	53549	109722	73001	69895	88372	61457	103247	137419	190490	195221	106096	76344	117803	80958	412021	44199	165927	86227	86893	73933	73269	94815	74726	170773	95322	104352	54214	69527	150872	146878	75887	7752	0	0	108297	96523	0	78329	86718	101033	98321	90380	0	86780	98345	61893	94839	81213	57213	100618	101892	85962	75761	49014	115924	96942	80444	390422	290263	372533	81979	74103	77841	51970	86157	30476	56602	92851	98129	73727	77731	71868	129972	108185	67728	95850	68931	73400	84844	75816	86493	130815	101129	99337	0	105145	102779	64160	104840	106851	119027	47626	104703	74191	78168	76872	0	67788	93650	Phytochemical	0.20833333	1.1666666	0.0
24	C24 H28 O5	397.20096	397.2013	-0.1955212	397.20087	280908	301172	257173	269692	276306	170746	118865	239011	221670	414528	489949	143980	262906	176989	183431	267513	217468	242416	339478	540488	506943	249740	202910	263047	180328	1261956	112277	462187	205115	203521	199896	221261	257012	212233	473258	218406	287908	135486	210932	409805	440759	174396	105777	29187	21891	261046	259788	25776	230353	200856	283810	279197	222365	13916	230819	198239	141818	245951	189363	187566	261597	293266	232371	183672	124575	268167	239535	229139	1019840	968147	1232217	213913	197398	177746	144855	203810	158508	168442	252018	245305	192544	186541	166455	329596	231853	170704	255388	182792	198385	237519	211947	251128	325331	240797	297802	7952	269638	284694	178754	214647	218209	271639	137261	288727	183445	231361	186820	20353	179454	235166	Phytochemical	0.20833333	1.1666666	0.0
6	C18 H28 O6 N4	397.20816	397.20868	-0.3319361	397.20804	5234	5217	4335	3836	2587	2211	2983	4350	1598	1922	2046	2776	2298	743	4679	5269	0	2992	2886	2100	1322	5133	4553	4824	5238	0	2276	7141	5985	4484	4283	6126	5912	4115	3276	4678	6246	3321	4571	1371	1423	4389	0	0	0	2901	0	0	6107	3492	3746	4040	1664	0	2191	426	1577	7508	1270	0	4583	0	2106	1527	917	3225	2422	4177	0	0	0	2975	3918	4362	1292	4863	0	2820	4076	12706	2393	1626	1969	0	1516	2166	4952	3513	2600	10184	34233	16524	12347	2389	2388	0	3711	5592	1303	452	710	5419	2162	2922	0	6025	2178	0	4697	2483	Peptide	0.33333334	1.5555556	0.22222222
8	C18 H28 O6 N4	397.20816	397.20862	-0.3065158	397.20804	4449	2200	4722	2817	2099	4169	1772	4893	992	0	0	1258	1291	0	3328	5068	2561	1490	2911	2041	0	2937	3903	4024	3860	0	2602	5178	4604	3463	3082	4611	4405	3825	1415	3396	5254	3216	3200	0	1048	1045	0	0	0	2559	0	0	3856	3023	2602	2665	1631	0	1264	596	1168	6084	1469	0	4558	0	968	764	0	1343	987	4138	0	0	0	3931	3197	2986	2357	3129	0	2468	3016	8399	1594	1389	1310	1292	1227	0	3843	1452	2199	7111	28164	13641	7967	2780	0	0	4156	2798	0	743	0	4989	1648	0	0	4693	0	0	1899	1284	Peptide	0.33333334	1.5555556	0.22222222
2	C18 H28 O6 N4	397.20816	397.2088	-0.28618646	397.20804	3412	4782	3749	3762	3237	0	3534	5595	3706	1120	1674	2589	2851	963	4992	2177	6412	3160	3350	1560	2531	4653	4823	5187	3440	0	0	3146	4600	3626	4017	5217	6631	4749	2242	4431	6225	4323	6512	1365	1932	0	0	0	0	1820	1505	0	4940	4165	3386	3785	3036	0	3310	1111	1479	5845	1576	1158	2805	1055	1835	2356	0	2791	2897	7703	0	412	0	4021	3611	3218	783	4297	0	3153	5295	13593	7965	0	1479	639	1868	2275	5630	3354	2105	16622	20421	12860	15598	3607	647	0	3966	4451	1472	1629	1738	4628	2743	2707	613	5722	1293	0	4312	2988	Peptide	0.33333334	1.5555556	0.22222222
10	C23 H28 O4 N2	397.2122	397.2126	-0.30218747	397.21207	4941	0	4569	5139	0	1561	0	0	0	3438	8271	3120	0	0	3912	10110	0	0	0	14199	11829	0	0	8931	3693	16782	2775	0	3750	5790	8796	7875	7053	4617	6528	9654	8220	4284	5037	4485	0	0	0	0	0	0	6435	0	6678	3375	3279	4533	0	0	0	0	0	4680	0	0	0	0	0	0	0	0	2892	3879	0	12594	11685	7317	4521	6753	3594	4536	0	3627	0	0	2787	0	0	0	0	0	2952	3948	0	9624	16830	0	5007	7215	20595	0	0	0	0	0	0	4305	3255	0	0	5238	0	0	2493	0	Phytochemical	0.17391305	1.2173913	0.08695652
24	C20 H32 O4 N2 S1	397.21555	397.21582	-0.42241362	397.2154	1637	0	0	1754	966	2043	0	0	0	0	0	0	0	1104	0	3253	0	0	0	0	0	0	0	5974	0	0	0	1907	0	0	0	1128	0	0	0	0	0	0	0	0	0	5268	0	0	0	1061	0	0	0	0	0	2460	0	0	0	0	8431	1331	0	0	3187	0	0	0	18012	0	2052	0	0	0	0	1137	0	0	0	0	0	0	0	0	0	0	0	0	5276	65570	2069	15659	2076	4690	8142	32633	2077	0	0	0	1177	0	886	0	12264	0	0	0	0	1570	16353	0	1853	0	Organosulfur	0.2	1.6	0.1
16	C25 H32 O4	397.23734	397.2377	-0.30050948	397.2372	6060	5290	5401	5608	0	0	10446	6538	3622	1826	2159	4474	1736	3018	4407	7419	19408	0	4152	6055	2542	3104	3783	6024	6816	2683	11857	0	4789	4686	5255	8533	0	3757	1590	7088	4051	3874	20331	2029	5409	4321	0	0	0	2643	2754	0	7230	8764	4135	5003	3618	0	2112	3038	4207	6554	1530	9465	0	2420	2464	0	2489	1995	3102	23052	5212	2276	2481	3076	2237	6290	17259	5522	0	4647	10211	0	5970	2158	7582	2320	7177	3491	12984	2034	2437	25401	4790	3314	0	1338	0	0	3865	2922	4259	9009	9991	7865	5241	3467	0	0	6992	0	6862	0	Phytochemical	0.16	1.28	0.0
16	C18 H36 O9	397.2432	397.24362	-0.3050825	397.2431	2499	0	0	0	0	0	0	0	0	1749	0	1317	0	0	0	0	3050	0	0	0	0	0	0	4753	0	0	1749	2501	1963	0	0	0	0	3302	0	2167	0	0	2110	2163	0	0	1782	1477	876	1348	1555	1526	0	0	0	0	0	2808	0	0	0	0	6782	0	10848	0	0	0	4715	4399	6576	0	0	0	0	5724	2489	0	1698	0	1045	0	0	0	0	0	0	0	0	2669	0	4626	1100	0	0	0	0	0	0	1224	1451	0	0	0	0	0	0	0	27846	0	0	1495	0	0	Lipid	0.5	2.0	0.0
12	C18 H36 O9	397.2432	397.2438	0.031867195	397.24323	9231	4704	3642	7709	0	0	10974	1279	0	2108	8389	1113	0	0	0	0	0	0	0	0	0	19392	0	2827	0	0	0	35114	0	0	0	0	0	0	0	0	0	0	1541	2000	13365	0	437	0	0	0	7598	0	1520	2549	9680	12165	0	0	0	0	0	5017	5991	27429	231248	2323	0	0	0	0	0	0	40542	0	0	0	0	0	0	0	0	0	0	47327	1030	0	0	0	0	0	0	0	0	0	7958	2593	0	4090	4214	0	2247	5374	1911	0	0	0	0	0	29920	0	0	0	0	0	Lipid	0.5	2.0	0.0
14	C18 H36 O9	397.2432	397.24356	-0.18019946	397.24313	3546	2281	0	0	0	0	4056	0	2586	3752	5536	2589	0	0	0	0	2411	0	0	0	0	5830	0	0	1514	0	2692	13329	0	1699	2169	0	1462	1576	0	0	0	0	0	2957	6766	0	8968	3709	2385	1587	6511	4713	0	0	1742	3122	1548	3751	0	0	1729	3417	16855	20858	58076	1638	0	0	3200	0	1470	1285	26667	2705	3108	0	0	0	1725	3380	3285	1223	0	14459	0	1922	1451	1390	2111	0	2306	2352	0	4497	0	2215	0	14676	0	3074	4315	3685	1919	2412	0	0	2420	0	44177	0	0	3972	1507	0	Lipid	0.5	2.0	0.0
8	C19 H32 O5 N4	397.24454	397.24506	-0.23566793	397.24445	1346	0	1088	1208	0	1035	1098	881	0	0	0	0	0	0	0	1399	0	0	0	0	0	0	1179	1209	0	0	0	4344	0	0	0	886	0	0	0	849	0	608	0	0	0	0	0	0	0	0	0	0	0	0	2328	1899	0	0	0	0	0	1276	0	0	0	0	0	0	0	0	0	1140	0	0	0	0	0	0	822	0	0	592	1010	27893	868	0	0	0	0	0	1465	0	0	4422	134079	32179	2757	4372	0	0	2100	2090	0	0	0	1293	0	0	0	1919	0	0	0	0	Peptide	0.2631579	1.6842105	0.21052632
10	C19 H32 O5 N4	397.24454	397.24478	-0.30591342	397.24442	0	1047	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1242	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1182	0	0	0	0	0	0	0	0	0	0	0	7773	0	0	0	0	0	0	0	0	0	4205	38357	8453	1733	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2631579	1.6842105	0.21052632
4	C19 H32 O5 N4	397.24454	397.24515	-0.144531	397.24448	1737	1851	1625	2019	0	1056	408	673	0	0	0	0	553	0	0	847	0	273	346	0	0	0	0	786	0	0	0	5416	840	0	0	0	576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2345	1794	0	0	0	0	0	710	0	0	554	0	0	0	0	337	0	0	0	0	0	0	386	316	0	640	0	0	517	95224	373	0	0	0	0	0	513	0	519	849	177182	56406	1349	6226	0	0	1942	1837	0	0	0	0	0	0	0	392	0	0	548	422	Peptide	0.2631579	1.6842105	0.21052632
6	C19 H32 O5 N4	397.24454	397.245	-0.3371212	397.24442	2336	1838	1895	1718	0	4085	0	0	0	0	1679	489	974	641	0	1647	0	0	0	0	0	0	0	0	837	0	0	9493	889	567	0	0	1316	0	0	0	1007	0	0	0	0	0	0	0	0	0	0	0	0	0	2520	2580	566	0	0	0	0	2198	0	0	1357	0	695	0	0	1164	0	0	0	0	0	0	0	0	0	0	0	477	875	55222	0	0	0	0	0	0	1084	0	0	2272	190494	58240	2121	6588	0	0	2352	1746	0	0	0	0	557	0	0	0	0	0	489	983	Peptide	0.2631579	1.6842105	0.21052632
28	C22 H36 O6	397.25845	397.25882	-0.26560292	397.25836	3844	4335	4953	4702	3475	1646	19220	6012	2635	4163	2885	1512	3444	10055	3802	2907	3713	4833	9027	21443	11004	2220	2130	3345	6993	0	15366	11116	22171	13317	11442	10921	36925	10995	6936	13858	24473	3346	3278	4867	0	5095	0	0	0	3070	0	0	22775	5066	4291	4116	4284	0	4303	2602	3781	6928	15829	1468	6405	6900	3011	1961	3692	7945	8482	2698	0	1816	1056	4407	8136	6371	3033	9159	0	3725	2550	5453	1939	5035	9080	6923	2688	3044	6177	1982	4943	2843	11702	12635	3761	2971	0	0	6213	6880	1646	2895	3797	27224	2848	14156	17916	3987	2393	0	1802	2089	Lipid	0.27272728	1.6363636	0.0
20	C22 H36 O6	397.25845	397.2588	-0.3074902	397.25833	6247	6445	6455	8823	7203	3254	65173	4164	2661	2938	3437	5050	4343	9779	5848	9239	16621	2737	6032	2912	0	2954	1504	10749	8933	12180	46337	5387	13546	9127	6248	14086	12237	9680	2341	11281	7588	3255	18254	0	0	4099	1068	0	0	1512	0	0	13421	6551	11309	8241	8129	0	3200	3597	3300	15165	1300	5725	8568	0	6802	2147	8137	6129	10310	23615	0	2263	1849	3776	7965	10713	20043	12074	0	5354	7204	8203	2744	1589	77780	78993	5484	4142	12403	6111	7058	18476	10591	7559	5461	0	0	0	11293	6001	4042	6461	9170	13078	3894	4423	2246	8698	5828	0	11785	3940	Lipid	0.27272728	1.6363636	0.0
20	C21 H36 O5 N2	397.26968	397.26984	-0.3455826	397.26956	4341	2911	2961	2946	0	0	0	0	0	0	0	0	0	0	227368	7924	0	0	0	0	0	0	0	0	11414	0	0	0	0	0	0	0	0	0	0	0	0	220006	0	0	0	0	0	0	0	0	0	0	0	0	3747	3626	0	0	0	0	1520	0	0	0	0	2276	0	0	3906	0	0	0	7086	2430	0	0	0	0	14965	0	0	0	0	0	0	0	0	0	0	0	1868	0	0	58404	8476	2019	4267	0	0	0	3406	3909	0	0	0	0	0	0	0	0	0	0	47802	0	Lipid	0.23809524	1.7142857	0.0952381
18	C19 H40 O8	397.2796	397.28	-0.22351722	397.2795	2383	0	0	2977	0	0	0	5384	0	2289	0	0	1531	2388	0	3450	1663	0	0	0	0	0	0	0	0	0	0	1497	0	0	0	0	0	0	3686	0	0	0	2709	2628	2086	1083	2292	0	0	3929	3148	0	5122	0	2029	0	2658	3826	0	0	3992	3637	0	1080	0	0	2635	0	2784	12864	6110	2094	0	5222	2343	5189	0	0	1279	0	0	0	0	2904	0	0	0	0	0	0	0	3816	0	2097	5450	2403	0	0	1525	0	2467	0	0	0	0	2154	0	6782	37173	2582	0	0	0	0	Lipid	0.42105263	2.1052632	0.0
16	C20 H36 O4 N4	397.28094	397.28125	-0.111739665	397.28088	0	0	0	0	0	0	0	0	0	0	0	10415	0	0	10542	0	0	0	0	0	0	0	0	0	0	0	0	0	2164	0	1127	3371	0	1669	0	3283	0	9155	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1625	7167	15787	0	3360	0	32987	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20835	0	0	0	0	0	0	0	Peptide	0.2	1.8	0.2
28	C23 H40 O5	397.29486	397.29523	-0.2707366	397.29474	4785	6317	6579	7473	4850	5319	54358	11139	2584	5055	11433	5055	4013	11905	7725	6741	10258	6589	4793	7923	4531	4789	6392	6653	9340	10275	36039	24214	11243	11543	7410	6031	6452	10217	4814	12059	5378	8385	6144	4826	7569	5923	5478	5425	8838	7222	6950	5248	8952	8497	6056	6449	6582	10695	3517	6404	5446	6107	14850	6781	10322	8784	5196	4392	12848	6518	11198	7087	9792	4799	4901	12970	10288	10633	7714	7250	9301	6010	4185	17549	4726	10239	11291	9507	6283	5773	7748	4754	5326	7827	16676	13274	4776	7568	5703	4752	7823	7233	5377	5156	9848	6497	7820	10484	23189	6181	5693	5615	6737	3356	Lipid	0.2173913	1.7391304	0.0
26	C23 H40 O5	397.29486	397.29514	-0.31656882	397.29474	15616	11272	17293	13270	4977	4089	345379	16440	0	2778	20608	26862	0	79446	0	9812	8972	0	0	0	0	4458	0	0	0	21177	312173	52348	23842	51822	21245	16302	2428	8758	3127	17484	3078	6624	12643	2484	11267	0	0	0	0	6079	6549	0	36689	23527	15575	13616	3135	0	0	6372	9780	7833	12319	14083	19659	10463	21429	2939	63803	11177	22299	7499	8304	3621	5365	13797	11931	21832	10142	25589	0	18264	4184	33642	0	17253	51667	40815	0	0	8814	0	4487	7830	37755	30482	0	5764	0	0	15577	11715	5846	0	6128	0	27630	14122	25145	3036	0	0	5297	4167	Lipid	0.2173913	1.7391304	0.0
24	C23 H40 O5	397.29486	397.29507	-0.35808015	397.2947	6143	4683	5845	5676	0	1984	148260	2239	0	0	5520	1138	0	32524	0	2395	5629	0	0	0	0	0	0	0	0	12446	133343	16483	2717	3096	1444	2653	1161	3108	0	3923	0	1089	6953	0	3593	0	0	0	0	1187	2774	0	2928	2516	3461	6596	1333	0	0	1815	1530	1256	1115	4578	6520	1882	10418	0	20025	5099	7360	4819	1452	2431	2054	1475	2178	6688	2107	2589	0	0	0	13761	1100	5097	31437	35041	0	0	2393	1689	1738	5216	19063	10710	1850	2034	1507	0	4746	4626	3847	0	0	1971	839	2680	2806	1441	0	0	1484	1588	Lipid	0.2173913	1.7391304	0.0
24	C22 H40 O4 N2	397.3061	397.30658	-0.10204774	397.30603	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8732	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3310	0	0	0	0	0	0	0	2340	0	0	0	0	0	0	0	0	0	0	0	0	970	0	0	0	0	0	0	0	40438	0	0	0	0	0	0	1905	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25082	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.18181819	1.8181819	0.09090909
26	C27 H40 O2	397.31012	397.31033	-0.2857052	397.31	8305	9558	9848	10027	3062	3794	22590	18162	3369	0	3434	13687	0	5311	16904	24738	54632	0	0	0	0	2978	8481	0	22686	0	26691	7300	21058	36833	16979	21566	7982	6702	0	30579	6519	23277	48440	0	0	0	0	0	0	0	0	0	15671	37673	12105	9832	5172	0	0	0	10424	15813	0	0	16347	0	0	0	9819	3177	7234	66200	0	0	0	4517	7934	38804	32010	25956	0	12549	32842	10290	15721	6761	3985	2592	7289	13695	88733	3862	4850	67881	5877	2777	5967	0	0	0	9039	14823	4929	6925	12718	21608	10740	0	0	9546	9539	0	27372	0	Lipid	0.074074075	1.4814814	0.0
28	C27 H40 O2	397.31012	397.31046	-0.2610981	397.31	7043	8199	5626	8051	5077	2777	42106	16857	2605	0	4900	8041	0	2427	8708	13056	25051	0	3836	0	0	1533	6454	7266	13873	3841	36100	5183	14115	26057	11963	16090	5682	7470	0	29207	3776	13606	23888	0	0	8328	0	0	0	0	0	0	10874	20427	6915	7497	3450	0	4216	2956	6079	12840	1698	2745	9874	1358	1757	1177	9158	3464	9608	28248	2305	0	0	3955	7575	27960	12806	16662	0	5787	27848	6447	12185	2252	3243	3535	9245	8409	60119	2561	4680	31574	3806	3137	6788	2828	2023	0	7553	7988	4645	11519	13925	11594	7623	2568	0	7719	15041	0	16454	0	Lipid	0.074074075	1.4814814	0.0
24	C27 H40 O2	397.31012	397.31036	-0.27857864	397.31	3302	4099	3672	2611	0	0	8293	11868	0	0	0	8420	0	1546	7690	13127	47674	0	0	0	0	0	1951	1394	6439	0	9224	1306	6378	21974	7985	7390	2651	4443	0	19845	1780	8219	42627	0	0	2356	0	0	0	0	1291	0	8700	19730	4977	4846	1283	0	0	1831	3501	4939	0	0	7564	0	0	0	3759	0	2803	47502	0	0	0	3599	6036	24233	26412	14111	0	2794	13797	0	5980	0	0	0	1342	4812	33683	2422	1734	52287	0	0	2429	0	0	0	5152	4066	882	2812	2080	8337	4980	0	0	2503	1867	0	9756	0	Lipid	0.074074075	1.4814814	0.0
26	C24 H44 O4	397.33124	397.33115	-0.33889475	397.33112	0	0	0	2105	0	0	85726	0	0	0	7437	0	0	17114	0	0	0	0	0	0	0	0	0	0	0	7993	75123	16433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3183	0	0	3680	4577	0	4652	0	25367	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5643	5828	11786	0	0	0	0	0	1681	2080	1592	0	0	0	0	2219	0	3823	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.16666667	1.8333334	0.0
28	C24 H44 O4	397.33124	397.3316	-0.2524392	397.33115	5415	3911	3458	4937	2725	2098	51739	3832	1755	2496	34504	6278	3584	7063	3683	2776	2481	2386	2472	5754	3502	3755	5470	4559	6370	22539	33438	16358	3698	4931	3104	2459	2349	2752	2633	2720	2402	8037	3254	2791	3406	5315	4068	3591	6721	2742	4067	3974	4242	5158	4599	4519	3141	5473	1976	6648	4358	3377	7559	6668	6372	6072	3170	3469	13810	1115	3003	5214	37344	3687	3320	1783	2041	3668	3565	2140	7567	3239	9167	16197	8550	12446	7661	9385	3456	2048	8491	2066	3143	2805	10057	7651	2302	30571	3702	5882	2672	3331	5168	3376	4189	3981	6253	7554	9681	2175	1659	3523	7776	3112	Lipid	0.16666667	1.8333334	0.0
10	C16 H15 O11 N1	398.07178	398.07245	0.026066871	398.0718	5527	3900	3951	4944	11546	3414	0	1007	17248	4769	4513	2651	25447	1980	1522	1576	1149	10997	11161	3130	5810	11309	2008	2267	0	0	0	0	0	0	0	0	2180	1170	5882	0	3048	1075	0	1821	7893	5660	0	0	0	1904	3569	0	0	1313	4370	8196	8021	0	22035	17489	4374	1732	0	2387	0	3780	33893	20208	4675	16716	4172	3817	0	0	1467	0	1135	0	1313	0	0	2081	2347	0	1336	1823	0	0	16170	2538	2076	9420	5058	2705	0	0	2898	14271	4908	0	4939	5819	10442	14835	16552	4792	2318	0	0	3024	9729	0	0	31397	Phytochemical	0.6875	0.9375	0.0625
18	C16 H15 O11 N1	398.07178	398.07227	0.074746504	398.0718	3417	2040	2421	3190	10476	6305	0	0	14045	2498	0	1867	32351	6366	2076	0	0	13861	10139	0	2398	9016	5004	2329	0	0	0	0	0	0	2322	0	3081	0	3354	0	1675	1263	0	1966	3393	4026	484	0	0	1357	6301	667	1646	0	3898	3483	5882	0	17004	18073	5766	2160	1603	1126	0	3839	20872	12537	5591	11524	3210	1641	0	0	0	1276	0	0	1413	0	0	2949	2614	7806	3192	0	0	0	20685	3594	2424	5464	5274	0	2896	3313	0	7536	4078	0	3669	2559	7351	12943	17357	0	1488	0	2515	0	11679	0	0	20988	Phytochemical	0.6875	0.9375	0.0625
16	C16 H15 O11 N1	398.07178	398.07224	-0.06722934	398.07175	5694	6803	4745	5309	17233	8283	1026	3385	18508	2575	4815	4637	38667	6733	3080	3093	2383	17992	19417	0	9275	13757	5972	0	0	0	2713	0	0	0	1923	0	2043	0	4753	0	2766	2382	0	3899	7366	8666	656	0	0	1763	3965	582	0	0	5815	4701	9640	0	23246	20347	6427	0	0	3349	0	5732	35371	27042	8550	21412	7871	3258	0	0	0	1665	0	0	0	0	0	2359	3607	11363	3462	3147	0	0	22405	6102	1877	7720	7840	0	0	0	0	27073	10263	0	6745	6291	13498	19390	24811	2859	2617	0	3877	0	11665	0	1207	42123	Phytochemical	0.6875	0.9375	0.0625
14	C16 H15 O11 N1	398.07178	398.0723	-0.015460165	398.07178	13766	17754	8606	12948	38018	16480	0	4426	38032	0	11856	5284	89498	13388	9126	8860	8174	42504	44214	4608	15912	41868	14728	0	0	0	3840	0	2976	0	3368	0	11964	0	9710	0	7120	5516	4046	5934	19840	28414	0	0	0	7936	12860	890	4282	3576	10322	16020	29494	0	58704	56144	19230	3332	0	0	0	14376	117010	78840	21594	52700	18560	3130	0	0	2001	2564	0	2864	4816	3436	0	6120	10560	30014	10884	7470	0	1736	61222	17384	8160	21126	19062	11722	0	4984	11564	47748	22274	0	17520	12754	27874	56046	43174	7074	9038	0	0	9712	33252	0	0	101962	Phytochemical	0.6875	0.9375	0.0625
12	C16 H15 O11 N1	398.07178	398.07236	-0.057261094	398.07178	7073	5737	3878	8705	18911	7103	0	2308	21795	6936	6860	3488	32645	3273	3526	1816	3721	23511	21313	4024	13675	23621	5617	0	0	0	1428	0	0	2051	0	0	5026	0	7284	0	2790	2801	2091	2360	15478	8032	0	0	0	0	4665	0	1506	1903	5975	5279	9604	0	26233	23874	7218	2239	0	0	0	0	49931	29412	5545	25522	7478	0	0	0	0	0	0	0	2247	0	0	2360	4859	0	2755	1273	0	0	19281	4715	3032	9844	8142	0	0	0	5219	25683	7761	0	4596	5047	17058	22320	18223	5647	2983	2471	0	3819	16514	0	0	45182	Phytochemical	0.6875	0.9375	0.0625
8	C16 H15 O11 N1	398.07178	398.0724	-0.13032243	398.07175	2306	1418	1321	1761	6598	1296	0	0	8941	2704	1403	1162	12044	0	0	0	0	4668	4575	1550	3068	3330	958	0	0	0	0	0	0	0	0	1258	0	0	2782	0	1435	714	0	1409	2546	1772	0	0	0	0	1838	0	0	0	2737	933	3112	0	8073	7208	2112	0	0	1291	0	3301	20296	14172	2032	8022	2352	0	0	0	0	0	0	0	0	0	0	623	1565	0	0	463	0	0	6353	0	1000	3456	2733	1153	0	0	0	5691	2966	0	0	1362	5530	9737	6426	1588	0	0	0	1234	4826	0	0	17362	Phytochemical	0.6875	0.9375	0.0625
10	C20 H15 O8 N1	398.08704	398.0877	-0.014400301	398.08704	3517	1135	2637	2137	3634	1118	0	0	3437	9105	8969	1562	5435	1519	0	0	0	4033	4370	4312	8624	5285	1498	0	0	4932	898	2575	0	0	0	0	0	0	13262	0	1087	0	0	3403	7564	1350	0	0	0	2133	5310	0	0	0	2708	2755	1516	0	3400	3827	781	0	0	0	0	3573	6040	3866	1248	5544	1469	1838	16850	9053	23804	0	0	0	0	0	0	760	1794	0	1192	2997	0	1563	4660	1212	1531	2242	0	0	0	0	0	9285	6780	0	2885	5388	3532	6951	3668	0	0	0	0	0	2752	0	927	7904	Phytochemical	0.4	0.75	0.05
16	C20 H15 O8 N1	398.08704	398.0875	-0.10347301	398.087	11418	10432	15015	12091	12383	4877	2176	2118	14999	58370	31802	2606	16775	6530	1676	7172	2592	11213	18653	20126	36557	38367	7143	3584	2699	37425	4123	17956	2083	0	1859	0	3407	2319	50698	1812	1995	3693	5631	30292	44798	3545	530	0	0	16366	34493	400	2497	2743	10165	11668	11008	0	17024	14223	8471	3750	3456	5165	0	17788	24356	12967	6388	16472	7394	4857	41341	45181	79303	2005	1558	0	2004	1556	0	0	10910	41291	5122	14436	5634	16950	17653	6022	10132	5300	7664	0	6169	7240	0	41879	63095	0	10686	6860	11234	14845	15818	5366	2487	3583	14745	0	10440	0	5222	17522	Phytochemical	0.4	0.75	0.05
26	C20 H15 O8 N1	398.08704	398.08743	-0.27711844	398.08694	3230	2807	0	2699	0	2374	0	0	3222	10185	5438	0	0	0	0	0	0	0	4517	0	7547	10261	0	0	0	0	0	2765	0	0	0	0	0	0	10448	0	0	0	0	4249	10752	0	0	0	0	0	9429	0	0	0	3151	0	0	0	0	0	0	0	0	0	0	6849	4141	3687	0	3814	0	2476	0	5802	11033	0	0	0	0	0	0	0	3174	9750	0	4892	0	2456	0	0	2890	0	0	2519	0	2263	0	14453	21255	0	2105	0	0	2665	0	0	0	0	0	1705	0	0	3041	4195	Phytochemical	0.4	0.75	0.05
20	C20 H15 O8 N1	398.08704	398.08746	-0.14976409	398.08698	9408	11508	9722	12821	8914	6117	3205	1848	14093	40614	27681	1516	13216	7662	2828	3558	4264	10428	14786	24415	29757	44289	6345	4470	2805	23878	5207	10516	1644	4126	1356	1489	4930	1950	51701	1699	7127	3742	6739	27782	45242	4433	629	0	0	15785	35537	0	2823	2103	11056	13866	9021	343	8512	6891	6816	5026	2650	6205	2822	17766	17300	11822	4998	13138	8726	4524	27159	35935	50995	1345	1129	0	2128	1625	297	0	8469	36642	4177	18635	4997	17726	12054	6170	11767	6260	7168	13959	13200	11328	8230	51836	50837	0	13614	10688	10503	14261	12222	4479	2549	4681	12136	4393	7908	0	4620	21288	Phytochemical	0.4	0.75	0.05
24	C20 H15 O8 N1	398.08704	398.0874	-0.18078122	398.08698	6965	3561	2032	2480	2921	3595	1648	0	5169	14740	4928	2494	5575	2483	2238	2266	0	7588	4980	1951	8601	12183	3236	2782	1482	4627	1571	2543	0	0	0	1065	2565	0	13322	1498	1793	3354	2928	6229	11933	2529	0	0	0	6000	12365	0	1178	0	3286	3840	3649	0	7997	2793	2738	1134	1561	2599	1243	6955	7210	6671	2474	3618	1931	2233	7804	5704	13035	0	0	0	1590	0	0	1589	2139	16863	3792	5984	2700	6018	4255	0	2527	2383	2743	4997	2389	2607	2169	26816	22798	0	4769	5940	3606	2250	4457	2173	1491	2729	5975	2244	1942	0	1521	7924	Phytochemical	0.4	0.75	0.05
14	C20 H15 O8 N1	398.08704	398.08755	-0.091597654	398.087	8864	10469	7394	11706	9207	3693	2099	0	11765	34392	18120	1130	13879	4036	1061	4110	2186	9139	9290	15890	32090	28981	2470	0	3612	31837	2400	12292	0	0	0	0	3221	0	45630	0	2732	2100	2713	19065	28794	2881	0	0	0	12404	17826	0	2458	1485	8076	7199	5142	0	13856	10983	3564	2905	0	0	0	13419	19327	11037	4372	16032	4773	2224	39540	33757	67879	0	0	0	0	0	0	0	6476	24264	5329	11662	2244	9545	10604	3880	8803	2981	3929	9209	4690	6848	7721	26588	31851	0	5567	6285	9090	16075	10488	3160	2038	0	0	2083	4743	0	2528	12852	Phytochemical	0.4	0.75	0.05
18	C17 H19 O8 N1 S1	398.09042	398.09085	-0.11982811	398.09036	13308	5674	7862	10389	8072	7202	3062	3257	6068	24433	15137	1291	8099	3110	1881	5438	2405	11379	15441	9228	17679	25431	2366	3917	6259	8068	2518	5748	0	0	2583	2764	3482	0	21319	2008	3731	2196	2911	29957	16552	3665	411	0	0	8394	11272	0	0	1945	7810	7533	7487	0	11533	5981	2182	4731	8024	4409	2334	12463	8408	5699	3090	8333	3757	1847	9668	18916	11303	1413	1245	0	0	0	0	3621	4258	18253	3509	7325	3210	11691	7176	3716	5384	5455	4051	5788	10061	17172	5641	20654	34269	0	9739	7905	6268	4471	3967	5510	1922	5427	5950	3407	5141	0	2677	11628	Organosulfur	0.47058824	1.117647	0.05882353
8	C17 H19 O10 N1	398.1082	398.10873	-0.16415067	398.1081	81261	88447	57557	72898	62728	41803	28022	51768	92226	139366	107051	51521	135486	27908	39285	65750	77559	101981	115923	113202	174253	127727	61522	60455	14623	13901	30045	37484	37700	40242	42046	49440	61880	46746	166917	46003	59425	37005	73064	99011	203763	56418	2148	0	0	70109	137374	0	46318	52200	79191	79818	58186	0	126811	90260	48702	45983	38688	75267	60416	81707	172907	126801	50727	91872	55631	83262	60805	33398	77917	51759	51318	38955	48705	44230	0	40681	56781	56052	44154	41858	27218	32241	88700	45728	39218	58351	58588	81253	26213	46578	77082	124822	118735	0	78848	86626	77672	91149	83894	65563	44449	66609	59845	60152	76465	0	26438	153424	Phytochemical	0.5882353	1.117647	0.05882353
22	C17 H19 O10 N1	398.1082	398.10867	-0.022995474	398.10815	6301	6948	6347	8510	10097	10952	0	4003	10415	9039	4956	4913	19620	0	6896	4085	3717	18900	10474	7039	7997	9932	6302	3217	3068	2910	1808	1496	4064	2215	3141	0	4259	3514	6581	2372	3789	6707	2689	5555	9484	3418	0	0	880	7607	22094	0	4180	3435	5155	5293	7041	619	13091	12220	5210	4631	3658	3623	2491	7811	22228	16182	4957	13524	4608	2972	8853	6372	4503	2577	3065	3786	3766	3301	638	3714	4832	5123	4446	6895	3043	3544	16087	9148	2471	5735	6395	0	3849	3925	6522	9425	11581	0	6114	6487	7995	12876	12687	3957	4732	2942	9252	7043	10687	0	1249	19536	Phytochemical	0.5882353	1.117647	0.05882353
12	C17 H19 O10 N1	398.1082	398.1087	-0.12020381	398.10812	151952	145615	155146	153021	140046	104838	76119	127310	186018	239145	198517	98837	266020	52791	104462	107032	136048	249576	252233	241222	348602	336020	138295	113373	41410	43395	61353	92133	100645	86127	94390	88732	148813	84893	365726	94726	136996	91038	111823	216294	329509	118211	5236	528	647	186388	270422	526	94671	109054	151559	149307	136804	348	303184	171967	90983	105707	141723	147343	96560	246273	324909	236727	72116	200352	112452	136451	188907	92229	159032	91049	85786	91072	83810	77365	286	94944	101333	208474	92085	124288	56310	68954	177434	94005	86575	95100	116537	141863	64804	135816	148785	266256	208722	1326	156876	190046	148338	131754	136722	143590	97707	123537	209797	125656	143754	529	50152	312585	Phytochemical	0.5882353	1.117647	0.05882353
16	C17 H19 O10 N1	398.1082	398.1086	-0.1705206	398.1081	84600	87917	91423	98579	117195	91817	32976	59812	130950	125417	77844	58210	236429	60952	75345	63991	61412	208418	205901	118809	146961	153983	90106	69643	34520	22985	34679	41866	55349	53889	68332	55680	84571	49542	160141	49488	77531	55867	56908	97395	106393	81506	4560	753	997	87398	135370	1674	70357	60443	95170	92032	91699	798	182692	127235	67056	54233	72707	58381	72136	110432	201342	147235	62240	138732	81578	53064	98075	47923	74208	56890	54132	44775	54745	49911	587	51430	71368	103221	51412	71288	36285	49867	141865	71462	55438	71547	74753	52948	28544	78468	112749	141070	147494	1192	83705	105412	91383	99755	113185	83985	49478	56530	95789	82073	120498	698	38732	213052	Phytochemical	0.5882353	1.117647	0.05882353
6	C17 H19 O10 N1	398.1082	398.10876	-0.17742589	398.1081	26426	29984	23945	25530	25694	11909	9103	21387	38960	46755	42652	19180	53820	8994	15648	27313	25148	42940	42316	32749	59681	41944	19263	24660	3541	4018	8614	8358	14389	16996	17542	17459	23212	14195	45042	12429	22662	13622	28255	26015	53501	19525	0	0	0	21424	40155	0	17514	20344	26848	27599	23664	0	45859	34908	16724	19315	16229	26680	23540	21212	69583	48166	20895	39116	23744	31849	21120	10488	23305	15020	15795	13258	17041	11513	0	12283	16717	12462	15781	13347	7335	7449	41953	17283	17747	28751	24892	29854	5704	12546	31913	37690	29059	0	27350	26426	24491	33984	36830	23580	14137	25447	16806	22746	28843	0	7118	66897	Phytochemical	0.5882353	1.117647	0.05882353
18	C17 H19 O10 N1	398.1082	398.10858	-0.20663986	398.1081	46349	46022	47976	42060	67370	57271	19907	35420	72334	53036	38823	31177	164038	36557	41896	30710	27264	127089	107096	65009	68337	81095	51482	39857	16637	16207	18112	16668	38451	30059	27134	20316	46563	30455	67924	24798	45379	35840	20762	50499	52667	43761	4056	801	917	57909	69480	1300	31760	33988	40839	43661	58726	702	137062	70010	36065	30771	34891	28378	41829	53790	119113	80988	36409	76799	49418	22501	43359	14339	33270	27637	24690	28702	27988	24241	758	29625	38470	52792	30099	41855	14440	18255	79609	52453	32797	48089	39177	23217	17337	37672	68794	59450	68644	967	50441	56837	52307	53948	64632	46091	27993	36334	48514	44553	57085	1076	18107	144368	Phytochemical	0.5882353	1.117647	0.05882353
10	C17 H19 O10 N1	398.1082	398.1087	-0.12226469	398.10812	144127	135644	120646	116708	115385	83142	52074	93557	162962	251702	197386	91847	232818	55838	68915	103585	104036	201938	196863	209950	339074	247222	116470	98731	29055	35840	55433	72469	76414	80859	74086	82535	122705	69473	303447	87903	115692	74929	106920	194703	280809	95713	4278	0	281	133971	228674	0	79169	92473	137605	139941	96069	713	224727	140141	68011	95756	103826	120933	106282	177639	255626	214159	72760	152051	95561	110757	138802	75228	124551	87075	71095	67629	88119	73679	0	69777	99834	126624	80347	94315	47837	54415	154551	79415	79546	98801	91072	111409	51120	91394	135768	216733	216268	867	138330	149947	123642	124630	131875	130315	74194	107488	178037	97143	124443	0	41084	270087	Phytochemical	0.5882353	1.117647	0.05882353
20	C17 H19 O10 N1	398.1082	398.10858	-0.14094383	398.10812	14990	16446	13440	15237	24949	25443	6020	13408	26584	28520	8468	10653	61182	13753	18733	11521	12814	38102	40179	18397	29893	26120	19704	16503	9681	7856	5864	5916	12175	9727	9190	5977	11544	11281	19385	6718	14506	11548	7102	16331	21008	19635	2180	1027	948	18612	40633	1613	11616	14953	18602	22139	21582	680	48845	35372	18840	8782	10726	10970	10375	19378	37776	33455	12460	36682	15174	8126	15085	9680	18434	9303	7903	6831	11624	9150	1059	14222	16782	19749	12708	18287	3933	0	42152	22512	17249	14467	18590	4208	7305	9558	24167	24791	22950	749	15621	19460	21452	21840	31099	9713	12564	13098	36135	12398	27926	992	6774	52359	Phytochemical	0.5882353	1.117647	0.05882353
6	C16 H19 O9 N3	398.11942	398.12	-0.20899536	398.11932	14737	14672	10816	12964	9649	7678	6552	12976	14022	8342	9373	13521	18642	3437	10180	12577	17913	16925	20525	7773	14211	21843	14813	14619	3846	0	6158	0	10067	8360	11110	10712	12402	9380	12321	9601	12640	8889	18555	9523	16897	11399	0	0	0	9082	14683	0	8465	12786	13053	15399	9636	0	19361	10471	9197	14819	10330	12000	15898	7513	25848	18295	7029	16465	13894	23187	1833	1940	3607	9445	10575	7612	8035	8392	0	7049	10034	0	5548	5554	4051	2235	15387	8274	9958	14153	13510	26597	0	10544	28950	10061	6807	0	14174	14286	8005	11919	12458	16897	11045	9828	0	18132	7603	0	5968	32145	Peptide	0.5625	1.1875	0.1875
8	C16 H19 O9 N3	398.11942	398.11996	-0.18102598	398.11932	15713	21364	12162	21148	10761	7064	7810	15355	17519	9888	9809	16235	18985	3021	12676	16094	18727	15540	23414	9422	17753	24778	18562	15880	4356	904	5895	3922	11254	13506	11308	14203	19815	13084	11724	11000	18417	12388	21578	13612	18564	13592	0	0	0	10059	19324	0	12466	14196	15466	18325	11723	0	22091	11900	11742	11817	14468	19220	16865	13371	29749	21282	11985	14573	11200	25445	0	1687	4791	12773	12335	12867	13351	11346	0	12287	14728	7218	10915	6674	5693	2872	14224	7333	12552	18390	16109	29392	0	11148	28803	11223	9749	0	16493	17282	10242	12330	12334	18629	13513	14423	0	22212	8978	0	7933	29649	Peptide	0.5625	1.1875	0.1875
8	C21 H19 O7 N1	398.12344	398.124	-0.23023735	398.12332	7578	6093	4385	6817	6978	2263	1250	0	5896	28242	17242	1142	7321	2310	1894	3585	2187	4177	5163	19605	28428	10191	1925	3747	1738	22920	1885	9402	2529	1535	1162	0	2526	1413	33803	1440	2755	2039	2132	13580	17249	1659	0	0	0	12064	15563	0	2988	1324	4970	5273	3506	0	7445	5863	1741	0	962	1838	0	9433	5030	6840	0	4875	2512	1748	37314	33683	59451	2199	1194	0	2312	2546	0	0	5422	13385	3196	5552	1111	12003	5850	0	3985	1579	2302	8638	0	0	5394	12350	16450	0	8943	4923	4742	7584	5666	2512	1538	3592	0	1375	4939	0	1162	5677	Phytochemical	0.33333334	0.9047619	0.04761905
20	C21 H19 O7 N1	398.12344	398.1238	-0.18748657	398.12335	25436	24450	26893	26522	21573	17043	6147	9410	20656	83652	78471	6199	25954	12776	5996	9429	12040	20594	22321	69073	81594	49482	6505	10821	10117	96850	4693	60596	6392	4846	4426	5474	12671	6972	99758	5263	15287	6538	8387	75338	89702	10680	955	0	0	43149	63975	0	8230	4589	33140	28655	17577	280	19648	17869	6820	13126	7963	13375	12478	49246	30617	20631	9808	24194	17760	11176	99716	122461	156106	5331	4552	2074	7312	7424	0	5568	16524	67218	9467	34337	10617	55445	21256	12595	13374	15423	15850	19221	24491	27061	23687	68526	69174	0	25135	26445	16730	18560	15881	12401	5797	14364	35758	13845	12866	828	13110	25618	Phytochemical	0.33333334	0.9047619	0.04761905
18	C21 H19 O7 N1	398.12344	398.12384	-0.18139078	398.12335	32466	34834	31764	31309	23670	17681	7407	8256	22668	115691	95278	4884	26008	17410	8514	15421	10755	23607	28567	77345	93188	60913	12961	16237	7426	132601	9998	77840	10114	7809	8399	10325	13110	11370	124796	5139	15501	6618	14380	78313	94519	11927	788	0	0	44653	60103	489	9041	9109	38750	35983	18670	0	23721	19568	12397	15772	5988	14868	13615	52432	40815	15786	13020	31049	22560	12134	128417	169144	213682	6859	5453	3279	6885	5141	0	3661	24643	63585	10969	39158	14255	60735	27095	10900	22678	16403	13985	28856	41204	35239	22514	75744	105747	0	34041	30821	21054	17532	20131	12318	5334	15388	28128	18666	18088	412	9923	34813	Phytochemical	0.33333334	0.9047619	0.04761905
24	C21 H19 O7 N1	398.12344	398.1238	-0.22818318	398.12335	5975	3473	5133	5987	2444	4909	0	2229	4018	20150	17663	1061	4870	2342	2641	2998	2590	4168	5059	5614	19778	12419	1993	2513	2677	11431	0	11381	0	1444	1413	0	4195	0	22574	1316	2109	1802	2493	17423	22685	2296	0	0	0	15025	20972	0	0	0	3307	4843	3779	0	3577	2458	2069	0	1651	2242	2202	11086	3966	4142	2532	4409	4194	2066	18878	15092	37255	0	2711	0	0	1376	0	1487	3460	16696	5806	12871	1762	9118	5364	0	5449	1979	2222	0	3994	3566	5195	20365	18414	0	6647	6459	4411	3351	2242	3829	1697	3578	7986	2000	3141	0	1166	2843	Phytochemical	0.33333334	0.9047619	0.04761905
16	C21 H19 O7 N1	398.12344	398.1239	-0.15868947	398.12335	25287	35663	25434	28185	22091	13792	10605	7666	22156	98341	75990	8479	25394	14643	5737	10110	12049	24071	36893	81852	89153	56359	11371	15427	9182	126464	8405	55974	9934	7260	9460	7178	15195	7080	112809	7348	14901	7809	13999	70004	76032	12440	645	0	0	39912	57878	0	10051	8235	35760	33493	19028	0	17787	17268	8220	16904	6908	13444	9614	44908	31044	19257	11518	28426	14292	9399	118274	166058	197345	4380	6212	5057	9226	8557	0	6359	22116	46735	9148	30394	12990	48814	24495	12563	19507	13889	10302	28708	25251	30887	0	63729	83786	0	28636	28799	19216	17120	20335	13983	5976	12535	28042	13685	18179	0	12363	32931	Phytochemical	0.33333334	0.9047619	0.04761905
6	C21 H19 O7 N1	398.12344	398.124	-0.17879194	398.12335	2609	2102	1495	2548	2206	1591	571	749	3896	8389	7975	720	2877	1354	1065	1283	0	2637	2180	7990	12311	3885	1135	1099	0	10419	0	5135	0	760	622	1189	1442	859	11078	0	1847	761	1222	3556	7618	1330	0	0	0	3585	9386	0	2257	705	1548	2954	1335	0	2996	3260	1260	1705	0	965	0	2555	2611	1634	702	2463	1064	2074	10610	13308	25727	1220	0	0	0	702	0	514	1848	0	991	3327	645	2559	1741	1253	1516	1951	1225	2042	0	1651	2957	4350	5579	0	2825	2259	2675	2679	2306	1173	561	0	0	1245	848	0	564	2318	Phytochemical	0.33333334	0.9047619	0.04761905
12	C21 H19 O7 N1	398.12344	398.12396	-0.13097617	398.12338	12805	13977	16373	14052	15321	5862	3435	3113	12424	52110	37917	3705	12182	5624	3920	4980	4264	9084	14796	44317	49500	21589	7483	5888	5338	74285	0	25134	3600	4403	3902	4440	7019	3093	59831	2265	6548	4850	7316	38233	46185	4786	333	0	0	26448	37448	0	0	2121	12066	12024	8496	0	13951	12352	6248	8513	0	7896	0	19664	17181	11548	5041	10597	5408	7965	88797	104463	135033	4124	3903	1601	3041	2751	0	3600	8125	26695	8219	15243	4153	22648	12747	5472	9451	5103	5859	16767	10551	8997	10784	35839	28752	0	10154	14853	12292	11168	10531	3568	3308	7628	0	5545	11658	0	5482	14607	Phytochemical	0.33333334	0.9047619	0.04761905
22	C21 H19 O7 N1	398.12344	398.1238	-0.21420982	398.12335	18402	16084	9741	15487	9736	8108	2487	5338	8992	60233	43678	2305	9095	5127	1719	3740	4526	12804	11676	29357	40773	32284	4941	5997	2830	51410	3729	31097	3113	2575	4105	4685	6435	3851	46724	1246	5509	3144	7704	36201	47359	5553	0	0	0	35111	40498	0	2739	2371	14156	18718	5897	0	10229	6397	5742	3673	6497	6080	4252	29833	14061	9941	4159	11621	9932	5708	52001	75879	95940	3496	3024	1052	2521	1789	0	2796	7348	38851	4272	25884	5530	23523	13866	5896	10004	6395	7102	7675	10053	14321	9192	39644	51631	0	7651	15190	10498	10480	8338	6936	2689	7380	28154	4772	5595	0	4340	14576	Phytochemical	0.33333334	0.9047619	0.04761905
14	C21 H19 O7 N1	398.12344	398.1239	-0.16256972	398.12335	19675	17856	21770	20585	24001	17906	13378	24980	23221	77969	56269	17665	30634	10768	14780	22776	18496	26210	34910	59966	83092	33947	24095	12812	15022	97364	10970	48979	23646	5204	12613	0	26400	10973	92469	12088	21070	15385	26644	46916	72878	16409	0	0	0	28769	40581	0	6357	11672	17425	17435	13778	0	30902	15740	13326	8385	0	11756	0	32870	31849	22331	12609	30668	15479	20864	109958	144431	162446	17254	9105	3834	16166	11012	0	10282	26723	35791	18978	23468	13741	34851	23477	7799	21714	16281	18725	42557	14842	24625	43038	42871	50210	0	21445	20590	18441	22043	21293	17088	10737	13341	0	24376	18020	0	14082	39828	Phytochemical	0.33333334	0.9047619	0.04761905
12	C14 H23 O12 N1	398.1293	398.1301	-0.14677411	398.12924	26180	32520	51872	46010	52128	13249	10762	50840	35888	48962	20612	18461	32850	46246	24113	24322	19778	38876	52578	59744	34978	91638	50510	38318	24926	19247	18052	0	19958	15997	25848	19715	29556	38076	79306	13725	40906	19606	24306	57302	32147	27072	0	0	0	44732	27568	0	21124	39330	50406	31218	35615	0	52864	21111	23358	26764	21376	23885	18145	49686	45462	33468	14132	35513	21167	22926	0	27434	50128	17083	31050	28670	16198	30818	0	35878	38126	0	23178	44814	30072	36202	23750	21198	36846	13740	20838	31946	27677	79136	36228	23577	54538	0	36034	35756	21440	33968	17392	31259	17904	19238	0	43264	50383	0	11487	67906	A-Sugar	0.85714287	1.6428572	0.071428575
8	C18 H23 O9 N1	398.14456	398.14508	-0.17589656	398.1445	324472	332398	256876	328758	91970	80109	165294	353448	121827	553044	155968	249948	168244	49602	264320	367500	309176	288718	349964	567068	634036	466472	283294	379956	66041	104448	184260	86492	303640	290164	278344	307922	313762	281546	747596	296522	325484	218640	321344	466914	254296	201568	3030	420	492	202250	473778	343	320466	348494	317524	346882	171564	863	355506	105565	137788	264776	323326	308984	173305	169865	172633	291180	65865	119397	184746	317664	177848	156915	197718	326332	302408	306460	114650	285178	457	220580	244278	94643	211832	236234	227746	101592	109863	70803	215944	175738	203044	315120	77606	153061	404690	146826	417432	950	329492	377760	92164	98959	102411	329912	215352	230176	140727	283742	96688	410	168468	344522	Phytochemical	0.5	1.2777778	0.055555556
10	C18 H23 O9 N1	398.14456	398.14508	-0.15741557	398.1445	358021	340396	623416	300769	182757	169710	202128	423111	255122	638903	344766	236084	312557	98811	260440	369600	252638	368874	383366	716587	719037	927212	588436	421256	190269	338217	199783	234401	341425	337923	298366	659542	365613	285962	812737	720756	756534	466210	288603	574783	971746	206910	7671	998	790	427367	431958	924	338104	725856	349423	330825	191891	1626	400555	205390	131977	335423	388956	308751	408636	360206	294781	278872	122023	251936	180179	270655	457784	427171	454979	353576	324149	357248	234622	312224	583	467058	239346	220737	245451	270503	268809	237934	259671	174992	214297	185743	205685	503230	208489	295612	841194	315907	448750	4172	336338	395849	183364	151869	179467	354043	222960	460491	330045	614320	193504	935	184390	351080	Phytochemical	0.5	1.2777778	0.055555556
28	C18 H23 O9 N1	398.14456	398.14496	-0.18230891	398.14447	8261	6980	8694	7072	6900	6294	3349	11124	5584	15005	5739	5155	12173	3031	6721	7405	9096	10575	8692	23065	21999	6580	7247	10131	5542	16890	5283	5612	9380	6640	5905	7366	8232	8970	18990	6753	7946	5237	5409	9791	11257	5377	1775	0	0	8629	10196	0	9204	10466	7696	7782	6491	3392	8613	5075	4258	6628	5068	5916	10307	8808	8098	6460	3369	7098	4611	5548	17425	21076	24160	8695	6475	6174	7595	5783	3267	5699	3653	5909	6905	6537	6345	5885	8845	5091	4612	4285	5096	3754	6525	7226	7715	4621	9995	0	7977	8903	5668	4424	5061	8012	6856	8243	5964	6855	3978	1414	5152	8044	Phytochemical	0.5	1.2777778	0.055555556
6	C18 H23 O9 N1	398.14456	398.14517	-0.17425208	398.1445	128102	129682	116416	117978	39131	27818	30358	137942	54816	104070	69806	93598	159754	20012	86958	141102	109512	126070	146396	91690	268418	183546	105298	153446	22868	33678	32122	37720	108710	112382	116102	122828	132016	102888	247430	112294	124358	79738	134818	66117	200036	78986	1105	0	293	66479	102920	0	66638	131822	125648	124614	74738	553	141866	46673	59362	125164	111598	140510	66472	61846	155886	55320	25394	109304	46858	148024	50847	50317	72573	111432	111456	55197	31485	101310	301	69348	85132	40009	72750	72188	65342	28482	99112	33540	39197	74948	88758	129048	36954	56603	165100	126698	77879	462	119998	67721	66136	40840	50929	136848	76176	80349	63823	121558	44552	378	29819	170768	Phytochemical	0.5	1.2777778	0.055555556
4	C18 H23 O9 N1	398.14456	398.14517	-0.23680238	398.14447	13522	14143	13490	13082	10177	8308	6095	16254	16582	18935	15575	21910	46404	7462	17710	14785	17444	34246	38364	18737	25098	50266	23212	16784	5593	7049	6064	5477	10206	11257	11396	13008	15515	9312	28685	13017	15171	9628	35822	14910	22084	12766	699	340	582	14590	23302	0	12074	13394	14729	13896	9804	614	20605	15073	7436	13657	12128	16934	15782	10782	51408	29364	8487	15916	9316	15948	15054	9259	12790	28440	9764	14201	3690	9723	363	17182	11342	8526	10393	9861	7821	6603	19222	7856	8860	9549	12117	31682	8406	10699	34592	14483	19693	504	13832	15663	12423	17782	16031	17753	8727	19898	12439	27012	11913	0	6144	50584	Phytochemical	0.5	1.2777778	0.055555556
12	C18 H23 O9 N1	398.14456	398.14508	-0.11638502	398.1445	506606	512422	498482	508952	319779	282613	369228	702326	437920	1046769	554988	329743	495716	175601	462633	473785	440736	665904	740429	1261414	1241428	912577	537032	580119	339010	651370	251776	430526	619418	518691	540093	516250	659190	510163	1531754	586581	571272	410992	396872	988639	731027	351960	13386	1867	1403	749261	644664	1246	525440	575769	518532	502707	339201	2143	747636	334300	244526	496060	683878	477529	628612	712318	601680	472020	188296	430357	345030	411423	909678	879670	860701	515514	541320	588167	361452	459995	910	429957	363778	381582	375994	461062	405596	450762	399595	287018	341388	285624	357393	416784	382756	628624	649443	495096	622190	3907	555387	657349	351442	245050	278380	607879	367519	647733	577640	502788	364156	1179	292823	641847	Phytochemical	0.5	1.2777778	0.055555556
2	C17 H23 O8 N3	398.1558	398.15646	-0.24524866	398.1557	19010	14252	15607	12946	12052	16092	9208	16208	15511	8021	8490	16727	20407	5906	11682	3613	21937	21135	19383	7096	17799	22760	15168	15539	4782	776	1393	12239	19398	9271	20358	12970	29368	15115	14872	13363	20740	12160	26533	10568	15944	19442	0	0	0	7772	10175	0	16239	10660	15101	13467	16073	0	20029	9089	7391	19371	8576	12950	5265	6237	26051	19735	10440	20427	17112	25824	1948	3840	4808	17379	16095	10898	1140	13473	0	11249	14997	33248	12230	6183	7193	3708	12170	8345	15122	18833	19003	36947	25401	26925	35806	17204	1747	0	16035	16689	9298	11715	10979	14011	11666	10659	6589	23646	9320	0	10431	29022	Peptide	0.47058824	1.3529412	0.1764706
14	C17 H23 O8 N3	398.1558	398.15616	-0.35144332	398.15564	14934	11073	11681	12187	3401	5409	7013	15650	5688	7270	4628	6689	8983	0	15793	13552	13172	8945	8575	7350	7741	16461	14269	17269	14894	0	7604	0	12219	14194	10232	11484	16805	12026	11291	12353	15047	10461	9319	6066	6422	6031	0	0	0	7775	7312	0	11250	15036	9326	5668	5323	0	9292	2717	5606	19002	15675	0	0	9745	5426	4563	4003	12955	8447	13821	0	4864	2759	15212	12321	14881	10340	9792	0	13412	10775	0	6742	6322	8303	3866	4314	5981	10983	7017	7955	17669	13062	17722	30920	0	7614	0	10581	9946	2453	2390	0	22803	8409	12339	0	14418	2157	0	12392	6953	Peptide	0.47058824	1.3529412	0.1764706
22	C22 H23 O6 N1	398.15982	398.1602	-0.1989608	398.15973	21946	22569	22659	19422	19914	16364	7715	11810	13823	66927	59758	7155	12424	13675	6250	15330	11217	15519	12316	58754	69275	40039	9517	16446	10584	105832	8319	62703	9602	10666	5011	10280	14018	10944	56664	10234	15182	6823	12535	56702	62967	11339	0	0	0	38013	52585	0	14433	7008	27069	20012	16220	0	11724	13407	9765	11308	11007	14688	14559	40024	16283	12479	7983	23830	15538	13795	103907	107464	140029	10155	7697	7633	8919	8630	0	6821	11857	41645	10365	26968	9828	40210	13649	8602	11243	14113	9884	29028	24099	25295	26671	44899	36214	0	21494	22562	13559	12312	15056	10469	5656	17936	25672	15996	12210	0	12021	13208	Phytochemical	0.27272728	1.0454545	0.045454547
24	C22 H23 O6 N1	398.15982	398.1602	-0.18985188	398.15973	11624	5691	9519	9537	7098	4614	0	2024	4225	29656	28941	3375	3520	5640	4036	6140	4260	5809	7417	15834	29831	13642	3575	7075	3444	35817	2201	23019	2549	1941	2469	4342	3911	5686	26024	6482	4265	3063	3096	24871	38524	4854	0	0	0	19839	25165	0	5359	3108	8301	6997	6152	0	4756	6243	4097	4856	3761	4234	6495	17661	3600	4237	2111	5183	7908	4410	42264	34283	53557	3583	3104	2701	2641	4565	0	4070	4578	14878	4380	16674	5126	18436	7330	4669	6942	6565	5036	6156	9198	5576	9108	21484	17539	0	4424	8256	5009	4698	4972	5026	0	8140	9951	4920	2979	0	3592	7639	Phytochemical	0.27272728	1.0454545	0.045454547
18	C22 H23 O6 N1	398.15982	398.16022	-0.23604758	398.15973	47544	36883	36269	39426	27877	19582	13042	19463	23350	95161	89012	11168	23165	19036	9903	26140	26486	20447	30026	108594	113918	55710	13307	27122	18063	160905	14958	83447	15245	15301	18919	15941	22210	16617	89468	12153	19153	15689	23383	84311	106201	15346	475	0	0	46259	59046	0	25988	16359	38043	42999	17784	0	17678	17105	13445	27022	10408	22483	23564	49526	26489	17041	10823	21875	19027	31071	144507	191387	233593	14826	8598	12586	16096	13821	0	10871	26431	51969	20126	33389	13932	62500	17547	17541	27806	18245	22123	42238	43800	35288	47699	52923	72566	0	38839	33228	15824	16439	15531	25548	12493	34760	25683	22166	14036	0	19782	24342	Phytochemical	0.27272728	1.0454545	0.045454547
12	C22 H23 O6 N1	398.15982	398.16028	-0.27294463	398.1597	13930	17014	15273	12947	8828	5153	5151	10971	10155	47244	44527	5679	6981	6892	5005	11313	6485	7980	13527	70192	68311	23071	6459	8145	5404	82650	6464	38197	6735	8534	5352	4745	9736	5663	71162	6146	7588	5997	12492	39275	41741	6810	0	0	0	23908	25794	0	6619	6538	14377	10980	6300	0	9704	3706	3589	8164	0	9773	0	27045	8115	7677	4964	8039	6336	11971	66420	120119	137212	6756	5919	5134	5602	5031	0	4700	10053	0	7348	10801	4653	30004	8189	4325	11009	6201	5908	20777	12200	11158	13339	21612	35171	0	11298	17728	6554	5713	6417	9069	2944	9765	21523	6939	6117	0	7686	8347	Phytochemical	0.27272728	1.0454545	0.045454547
8	C22 H23 O6 N1	398.15982	398.16034	-0.2770429	398.1597	8884	8734	7642	8279	3608	4794	2448	5369	5382	27805	18335	3104	2217	4363	2929	5735	4658	4486	6229	25819	30835	12444	2799	6683	3157	38073	4313	17815	4601	3728	2474	4188	3644	3422	31090	4444	3298	2844	6684	18951	17016	2970	0	0	0	13173	15761	0	4156	4754	8519	8014	3352	0	4680	3443	2360	6907	0	4113	0	9510	5364	4055	1891	5421	5504	5582	32142	48284	58876	4149	2510	2122	2275	4181	0	3464	5732	8234	3217	4489	1568	13756	3464	0	4101	3205	2882	13433	0	0	9921	13214	19943	0	9086	8376	3686	2896	4027	4216	1652	3954	0	6248	3249	0	2998	5769	Phytochemical	0.27272728	1.0454545	0.045454547
14	C22 H23 O6 N1	398.15982	398.16025	-0.26825315	398.1597	21129	16090	15936	17093	16369	12726	10239	9689	13107	67264	50155	7926	9079	10918	5383	14438	10646	10342	14031	61528	87928	20971	7040	12462	10046	106197	9735	45442	6038	8860	9879	9445	11971	7479	58671	9093	16045	9080	16785	46069	56683	8357	0	0	0	31153	44523	0	8880	8959	18508	16775	7720	0	10801	7465	5614	20239	7609	10727	0	28927	11154	10478	6531	13167	9684	13637	88159	119565	131183	8136	6101	4945	12489	9489	0	6460	14208	23564	13004	15596	9136	30130	15156	6212	14930	10415	10551	25011	21212	13024	22797	26820	42860	0	21966	17224	8158	11353	5707	11504	8258	12796	0	16376	5787	0	8849	9861	Phytochemical	0.27272728	1.0454545	0.045454547
10	C22 H23 O6 N1	398.15982	398.16028	-0.27439088	398.1597	14849	15990	11601	10546	7444	7876	4666	6519	5959	56920	42581	3888	3944	5998	4189	8915	5472	5474	7577	52645	53511	14866	6540	5825	5077	74487	2125	34894	6901	3852	4143	6769	9077	6623	51061	4135	5857	4364	5185	31686	28915	2849	0	0	0	24763	24725	0	5802	6673	10273	11529	7265	0	7367	2897	2979	8997	0	5576	0	17175	8505	5851	3478	5196	6416	7387	63939	88444	92601	5452	3329	3592	5407	3820	0	4449	7354	17154	5372	8667	2612	17641	6370	3073	9019	4554	4772	13253	9818	6710	13771	24869	34471	0	12205	16018	5652	3786	3846	6940	3440	7811	0	10474	5379	0	5374	6894	Phytochemical	0.27272728	1.0454545	0.045454547
0	C15 H27 O11 N1	398.16568	398.16638	0.04436147	398.1657	0	2307	2738	0	2340	9920	1411	0	1218	0	0	2102	5405	0	0	0	1916	3461	2399	0	1339	2443	2778	4386	2033	0	0	535	4444	0	4015	5392	5525	28102	1356	4926	4102	1195	3010	0	0	0	0	0	0	0	0	0	4620	3335	0	2278	2469	0	0	756	0	3708	543	0	0	0	6534	0	0	7758	4252	2889	0	0	0	18234	13048	4259	0	3568	0	0	1629	812	0	0	0	0	1262	0	1351	8007	3184	4524	2959	2401	3894	0	0	0	0	0	0	656	0	2571	0	0	0	3775	972	0	1223	6463	Unclassified	0.73333335	1.8	0.06666667
22	C24 H24 O3 N1 Na1	398.17267	398.17313	0.2351582	398.17276	14053	13451	7718	12040	5406	4478	19475	14085	4442	11826	9964	24683	5016	0	15647	34763	71741	7192	7470	6002	13228	18336	9310	8146	13432	11036	25595	10088	23322	32985	15024	14750	22376	26968	12616	19650	33649	17221	82130	16714	13218	4962	0	0	0	6182	12268	0	26773	16614	18695	6334	8694	0	10656	3000	0	13382	7392	7970	22689	10630	3740	10940	0	6164	8694	72912	10868	16210	15194	19965	15746	8757	171826	26511	0	19649	5738	13846	7339	5380	7844	9762	0	3392	18857	8452	0	15259	25726	32580	16471	5956	12392	0	7218	14844	0	4054	6298	41022	19782	10550	6368	8370	2364	0	14710	4496	Phytochemical	0.125	1.0	0.041666668
28	C19 H27 O8 N1	398.18094	398.18134	-0.23064256	398.18085	10290	10277	10295	7793	8235	6527	5298	11630	6967	20948	7296	6132	15036	4701	7369	10849	10160	14184	13989	29980	23688	6111	10954	13887	8500	29322	4123	8663	9471	11554	7487	9921	8964	10975	18153	11379	10758	7620	9463	9787	12836	5779	0	0	0	11798	11715	0	8586	10744	9899	8878	6614	0	8506	10196	4873	12112	4824	6895	13984	7710	10031	7250	4133	7448	6927	7556	24738	39888	36367	10231	9143	11197	9323	7131	0	6490	7586	4018	5525	5402	7603	9923	8552	4007	8549	4491	5479	7736	9292	11880	11886	2867	7262	1565	10184	15153	5008	7728	10695	11299	8100	10451	7468	9909	3880	0	6777	10553	Lipid	0.42105263	1.4210526	0.05263158
14	C18 H27 O7 N3	398.19217	398.19263	-0.3278201	398.19205	6447	8853	5188	4599	1853	3908	7759	13915	1865	3870	3011	5419	3848	2176	10150	13097	5624	6817	9413	7099	3783	11429	5087	11931	13579	0	5790	0	12541	6881	11843	10528	12363	10080	4203	10170	10921	8190	11698	4094	0	6244	0	0	0	5568	0	0	11440	5188	6955	7590	3353	0	2914	1647	3574	13111	7953	0	0	2161	3211	2811	2212	2555	4297	5890	0	3641	2391	10262	8513	9067	4857	8041	0	7281	6360	0	5596	3629	3849	2722	3018	0	9047	3655	4151	11913	31783	21236	25016	3076	5329	0	6298	7714	1655	1410	1403	14506	8935	10158	0	12695	1992	0	9076	3767	Peptide	0.3888889	1.5	0.16666667
12	C18 H27 O7 N3	398.19217	398.1926	-0.32108432	398.19205	10908	12416	15672	12951	5691	5528	15282	17516	7700	6659	4155	9125	5660	2334	19221	13938	11871	7959	11604	8013	8040	22039	14869	16539	16879	0	6415	0	21676	13738	21145	23158	21961	15073	14265	19895	17123	12174	10638	11223	4357	6481	0	0	0	12627	8720	0	14933	16383	12335	12704	7897	0	9912	3847	2851	22079	23245	0	0	4721	6914	8837	4351	9025	7894	8902	0	4118	2411	15489	16388	15911	6755	12077	0	12747	12083	0	9884	6177	11406	7927	3912	6530	13316	8025	9144	26640	33225	30436	40420	7815	9662	0	13050	12317	2210	1862	3119	16322	10562	16156	0	23032	3679	0	14182	13605	Peptide	0.3888889	1.5	0.16666667
16	C23 H27 O5 N1	398.1962	398.19656	-0.3719673	398.19604	12205	14813	10158	12712	2804	6636	5813	7496	1899	27863	26849	5449	4098	4006	6656	10575	14856	0	7624	28000	35643	10502	7520	11388	7425	57928	6062	21686	6648	8477	7847	6076	14815	7185	23230	7353	12462	4570	13529	24758	27152	5928	0	0	0	11585	16290	0	11951	11519	13074	9238	6857	0	2925	3073	2488	13665	0	7737	7445	11949	3450	2218	3543	6991	7415	16268	42907	63754	71043	6925	7564	5569	10630	8429	0	5693	9843	11337	8249	4147	4918	25756	3287	2464	14126	7972	5647	48232	18503	10846	0	14141	16823	0	8832	13212	3999	1678	4043	14266	5591	12625	3672	0	2521	0	12601	0	Phytochemical	0.2173913	1.173913	0.04347826
24	C23 H27 O5 N1	398.1962	398.19656	-0.2340376	398.1961	27177	24588	23923	28890	17557	15124	8384	25919	9429	25884	50810	8111	13931	11470	7629	27523	17200	15676	23202	34571	39730	27883	13991	42375	15289	74441	7021	44528	21717	20516	17909	22776	25206	26073	29862	21613	20953	9166	15886	33064	47502	15958	0	0	0	25763	30361	0	23820	18880	24434	24194	17199	0	12979	12037	9451	35989	14928	13663	37722	26896	8830	11283	7390	18748	23684	19830	70766	56140	80780	21600	15383	14490	13701	16363	0	11603	17611	24430	12566	15543	15140	34643	13489	8289	16177	17597	21548	32741	26878	24200	49587	25944	30106	0	24806	22883	10577	11276	15100	26352	10668	23276	17405	36375	13675	0	15488	10856	Phytochemical	0.2173913	1.173913	0.04347826
12	C23 H27 O5 N1	398.1962	398.19662	-0.35897797	398.19604	9693	9064	6724	7286	3516	3334	0	6293	3622	26743	22704	2076	1416	2282	3557	5695	10471	2324	3756	44349	41226	4525	4703	6205	3662	52790	6298	19160	4373	4924	5856	5078	7201	5405	30705	5790	5943	2505	6977	22848	11272	4106	0	0	0	8747	8218	0	6598	4862	8331	7350	2261	0	0	1260	2172	5807	0	0	0	8200	2029	3056	2137	3373	4583	8353	36165	68548	60903	3965	3345	3890	5426	4570	0	3585	4624	0	4779	1481	1457	15484	1849	0	4676	3336	3623	13701	7526	2668	13980	9711	16561	0	10262	7986	2741	944	2397	7199	3000	3488	0	6715	1585	0	5091	1626	Phytochemical	0.2173913	1.173913	0.04347826
8	C23 H27 O5 N1	398.1962	398.1967	-0.27975777	398.19608	7811	5871	7322	5928	1810	1888	3626	8898	969	17100	12896	3778	1155	2161	4881	7695	5873	2654	3096	29716	27221	4355	4011	8489	2550	27710	3790	9701	3953	3240	5692	6438	4879	6831	21537	5094	8340	3714	5832	10620	6194	3201	0	0	0	5971	7329	0	8774	5621	7056	7098	2548	0	1581	0	2277	4953	0	0	6217	5410	0	1367	0	2156	2559	7870	17837	33898	33051	5551	7536	4673	6096	6009	0	3145	3239	6723	1744	698	0	9747	1317	0	3952	2920	3386	11389	0	0	12335	7988	16762	0	6777	7783	1843	797	0	5501	3580	4287	0	4517	0	0	4558	1261	Phytochemical	0.2173913	1.173913	0.04347826
28	C23 H27 O5 N1	398.1962	398.19647	-0.28488207	398.19608	5447	3636	5100	3857	1713	1106	4926	11974	1210	1876	3596	2941	0	2837	4297	14637	11760	2279	6160	0	0	6971	3757	17972	4934	0	3246	3648	6755	8022	7110	7168	11649	11924	915	9883	7687	2637	11702	2074	3532	3209	0	0	0	0	0	0	6906	9346	6641	4618	2487	0	2767	0	1282	17890	1498	2281	15702	0	4289	0	1182	1311	2392	14523	0	913	5041	8244	8174	5580	4875	6122	0	4733	6662	3840	4123	1061	2044	1704	0	0	8990	5579	5362	31120	4056	6220	16874	1949	0	0	4517	4548	0	2278	0	12693	3157	2803	0	20049	0	0	5912	1465	Phytochemical	0.2173913	1.173913	0.04347826
26	C23 H27 O5 N1	398.1962	398.1965	-0.23311034	398.1961	7940	5284	7711	8729	3374	2797	2596	10339	3228	4926	10377	4881	0	2361	0	15274	5440	5898	5422	7154	8396	9131	6022	23323	0	13934	0	9658	6204	7155	7122	8743	10591	9389	5317	9771	10997	4614	6350	9905	13859	0	0	0	0	0	9816	0	10380	0	9070	7596	3514	0	0	0	0	21458	0	6172	16107	7538	2579	3829	0	4569	5616	9664	22577	10516	18357	8427	6686	0	7187	7932	0	3504	8192	6227	3884	6241	4882	6600	0	0	7514	5770	7011	21125	8378	7695	19908	5013	5464	0	6760	8047	3163	3272	0	13616	3916	5396	0	17614	0	0	6611	2387	Phytochemical	0.2173913	1.173913	0.04347826
10	C23 H27 O5 N1	398.1962	398.19666	-0.31651637	398.19608	7468	10360	7885	9208	3349	2449	4492	4244	2130	24246	19079	3371	1712	1834	4761	6632	7315	3066	3217	39400	36507	8394	4093	9458	5370	53313	5831	21655	7285	7206	5111	6010	8007	9264	24235	6319	7770	3259	6587	18201	12623	2847	0	0	0	8389	14670	0	9478	4758	8357	9599	3560	0	1327	822	1644	10703	0	1596	0	5354	1240	2060	1769	2759	3050	6216	37919	54553	58326	6542	6836	5722	5911	6303	0	3770	3916	6291	3946	682	874	13707	1411	1547	4415	2475	4372	13880	6581	2523	14803	8540	23772	0	8167	7222	1643	0	0	6403	4042	4103	0	7688	1866	0	5172	2166	Phytochemical	0.2173913	1.173913	0.04347826
14	C23 H27 O5 N1	398.1962	398.1966	-0.3393471	398.19608	6573	9970	7843	6803	2699	3161	6691	7334	3295	32252	26096	6635	0	4264	3608	14161	8512	2293	0	40949	45192	10691	5301	9041	9577	57021	8023	21693	6337	7360	7271	0	4803	6843	22201	4249	7352	3599	8653	23725	21505	4430	0	0	0	10323	11499	0	4336	8274	6771	5649	4436	0	2399	1647	4612	4841	0	9800	0	4778	1784	1663	3093	3983	3450	11523	37518	56620	60007	6585	4038	2607	6265	4882	0	2898	6719	0	5357	3494	4569	15215	3632	0	8675	2419	3406	24216	11053	5710	13882	7590	17322	0	5571	8804	3453	2645	2132	7104	3701	7188	0	8199	1946	0	7589	0	Phytochemical	0.2173913	1.173913	0.04347826
4	C16 H31 O10 N1	398.2021	398.20288	-0.2213938	398.202	0	2971	2133	0	26135	4954	1090	1111	1671	0	0	740	9421	49886	2398	2184	3148	3296	2780	0	0	1807	2095	1879	2033	0	1181	0	1579	915	2194	1661	2602	0	0	2272	1757	2292	3727	0	0	14306	0	0	0	0	0	0	2284	1167	1788	2633	14481	0	3295	1672	4202	2282	0	0	2101	0	2990	6398	4738	17798	32289	0	0	0	0	1637	1614	1452	1098	1220	0	1393	1589	23275	2025	0	546	0	8032	2018	2938	1262	0	3759	9492	4397	4420	2560	0	0	2606	3957	1299	2470	3127	1890	1400	0	0	2056	7264	0	1533	3148	Unclassified	0.625	1.9375	0.0625
2	C17 H27 O6 N5	398.2034	398.20398	-0.36920813	398.20328	3348	5267	2649	3658	1780	0	3442	5891	2393	1156	2682	3536	1429	2394	5304	1780	4981	2450	1783	844	392	2548	5245	4172	2971	0	0	9068	3769	3559	5492	4881	5529	3463	1117	4092	4191	4660	6837	0	0	0	0	0	0	1280	0	0	4860	2442	3050	4064	2286	0	2455	919	1329	5909	0	528	2183	0	1616	2157	0	3331	2857	9440	0	286	0	4037	3937	2729	1206	3617	0	3870	4363	17902	3487	0	0	385	1373	2038	7494	3167	3711	15947	48256	21689	9073	6571	0	0	3657	3459	2204	1437	1046	3577	3752	1119	0	5885	1842	0	4848	1404	Peptide	0.3529412	1.5882353	0.29411766
0	C17 H27 O6 N5	398.2034	398.20386	-0.67455626	398.20316	1909	0	2239	3240	2683	0	4127	6477	1888	0	1494	3914	7129	0	2974	0	3430	4071	2773	0	1530	1420	0	2229	2781	0	1542	12877	6499	4069	6441	7619	10005	7416	0	9012	7969	3229	3920	0	0	2255	0	0	0	0	0	0	4991	4644	3359	2201	2277	0	1358	693	0	5478	664	0	2603	0	2642	0	5591	3629	2844	4931	0	0	0	7879	15693	11865	2418	6046	0	3278	1683	44056	1912	0	0	0	1371	0	0	4188	0	3794	46664	9500	2936	1879	0	0	2934	2760	860	0	1130	0	3017	0	0	5297	768	0	1904	6004	Peptide	0.3529412	1.5882353	0.29411766
28	C20 H31 O7 N1	398.21732	398.2177	-0.2450839	398.21722	6267	7697	7217	7806	10075	3793	3266	7966	6111	8048	3624	4122	19032	7726	4033	10948	6043	9337	11870	10305	12209	4612	4667	7512	3701	13697	4761	3566	6610	7603	4840	7406	7006	7567	6609	5812	6943	2655	6693	5753	5677	4341	0	0	0	5290	4042	0	5814	4104	8115	5688	7312	0	7909	12367	3280	9129	2419	2507	8696	3124	10135	5002	2299	10037	6473	6185	11037	20421	22291	5209	5561	3828	5388	4639	0	3754	7500	2440	4808	2618	3726	4155	6154	4431	8528	2992	3575	9276	7698	8544	11546	1733	4338	0	6803	8407	3937	14047	18154	6207	3751	7073	0	6149	3035	0	4329	7699	Lipid	0.35	1.55	0.05
26	C20 H31 O7 N1	398.21732	398.2177	-0.25524488	398.21722	16798	16288	17472	16840	23237	10294	4816	16228	19451	20313	7434	11124	54142	16224	12220	20703	8749	25372	29399	23003	23478	12558	12682	22783	8797	22440	3556	7614	16504	10045	11542	10536	17812	14902	20288	12184	14243	8219	13411	17014	18852	7473	0	0	0	10809	15009	0	14087	12294	16349	18782	15260	0	25221	42930	10361	18825	5303	8136	19462	9415	30592	21400	4706	30030	12550	15283	26024	42115	45288	16690	13768	11448	11811	10219	0	9646	19595	10229	12685	5341	7310	10214	21277	8213	14184	10837	11292	16416	14081	14186	20474	9119	13641	0	18288	21652	10565	42577	46572	22357	5881	15248	0	11259	11683	0	10484	26326	Lipid	0.35	1.55	0.05
10	C19 H31 O6 N3	398.22858	398.22897	-0.287594	398.22845	5022	5263	5737	3057	0	0	1837	4553	1160	2064	0	0	1099	0	2952	3750	2329	1571	1660	2467	0	1832	2268	4284	4749	0	1067	0	5414	2309	4066	4391	5864	4903	2575	4267	4681	1353	3602	0	0	1160	0	0	0	1987	0	0	5193	2912	3092	3486	1567	0	1393	0	0	7057	0	0	0	0	1379	0	0	2312	1894	3416	0	1571	0	2961	3165	3096	2768	4233	0	2011	1814	5757	0	702	0	1236	0	918	3485	1576	1211	6034	161523	89894	9773	2303	1165	0	4037	5146	0	762	0	5516	1996	5056	0	3025	729	0	3542	1373	Peptide	0.31578946	1.6315789	0.15789473
12	C19 H31 O6 N3	398.22858	398.2289	-0.16506635	398.2285	1869	1476	2340	0	0	0	0	0	0	0	0	0	0	0	2228	0	2049	0	0	0	0	0	0	2732	3891	0	0	0	3893	1448	2326	1450	4036	1686	1394	1837	3287	0	0	0	0	1175	0	0	0	1947	0	0	0	2983	4058	2438	895	0	0	0	0	2822	0	0	0	0	0	0	0	1388	0	0	0	0	0	0	2103	0	0	2649	0	0	2462	0	954	0	0	0	0	0	2348	0	1014	5486	82802	54249	4965	0	0	0	3510	0	0	0	0	0	1122	0	0	2903	0	0	1704	1259	Peptide	0.31578946	1.6315789	0.15789473
12	C24 H31 O4 N1	398.23257	398.23303	-0.2519323	398.23248	3754	2685	4896	4099	0	2000	0	11945	0	9572	10639	4490	0	784	2957	9865	3809	0	0	19741	12988	0	2974	5528	5035	21605	3739	0	10237	10289	7405	7445	12747	10535	8822	5925	11522	4421	4157	4658	0	3481	0	0	0	5105	0	0	11178	7783	5280	5047	0	0	0	0	1226	8351	0	0	0	0	0	0	1410	0	2298	4200	0	13780	13572	8406	5776	6864	9328	8778	0	4128	1484	0	2200	0	0	5249	0	0	1331	2896	1491	8360	9699	0	5401	0	11143	0	4350	3736	0	0	0	9071	5308	3641	0	7272	0	0	1290	0	Phytochemical	0.16666667	1.2916666	0.041666668
20	C24 H31 O4 N1	398.23257	398.23294	-0.22371852	398.23248	6273	3126	4275	4544	2258	0	2802	3202	0	6066	8660	1764	0	1671	2130	6661	10966	0	0	4881	6053	6561	2024	1938	2194	21393	4717	7124	5237	3764	5207	4841	6402	2527	5187	4152	5500	3551	7944	6472	12993	2441	0	0	0	0	5509	0	4441	5804	6365	4475	1683	0	1870	0	2020	5629	3569	5981	2619	4944	0	0	1737	0	3252	8607	14345	14435	27222	2899	4240	2287	7223	3410	0	3377	3481	4107	2552	1816	1184	0	0	1997	5783	3088	2507	21552	8008	4158	13125	6900	0	0	4708	4406	0	0	1384	5782	1863	4349	4140	5614	0	0	7878	0	Phytochemical	0.16666667	1.2916666	0.041666668
14	C24 H31 O4 N1	398.23257	398.23297	-0.2418358	398.23248	4387	3748	2218	3874	0	0	0	5679	0	5621	11537	1314	0	0	3626	8258	4917	0	0	14087	11415	0	1618	4629	3033	21905	4031	11449	5644	7164	4077	0	6200	3686	6905	8335	4516	3456	0	6670	0	2811	0	0	0	0	0	0	3635	5893	3101	1968	2081	0	0	0	1151	4872	0	0	0	0	0	0	1273	0	1889	5628	0	19718	15431	5635	5453	8847	3773	4434	0	4052	0	0	2599	0	0	5367	0	0	2499	0	2280	8069	5850	0	7238	0	5542	0	3278	3656	0	0	0	8493	3023	2471	0	4379	0	0	0	0	Phytochemical	0.16666667	1.2916666	0.041666668
26	C24 H31 O4 N1	398.23257	398.23288	-0.20065783	398.2325	6020	8283	6076	5346	7935	2266	2235	6731	6419	3266	10786	3485	0	5507	0	5040	0	0	5884	6032	8188	5762	0	7272	11262	21775	2363	12948	0	6658	6011	8977	8088	5329	5352	8168	5694	4096	4255	10782	13830	0	0	0	0	5027	7145	0	6525	0	5727	5221	4745	0	6181	0	3108	7249	3709	5321	9358	5592	2353	4344	0	5365	5813	7875	23072	8651	19486	5660	3637	0	0	5549	0	3508	14922	7460	2482	4238	5946	6898	0	0	15899	3456	2549	21074	8316	12544	23077	6308	0	0	7405	6621	3619	7664	6946	11033	3028	6056	0	12239	0	0	11496	2120	Phytochemical	0.16666667	1.2916666	0.041666668
24	C24 H31 O4 N1	398.23257	398.2329	-0.24561466	398.23248	10287	13768	13487	13316	9819	6158	6040	9530	5552	13769	29563	6320	0	8178	8538	17602	13048	5638	4221	20780	17645	14124	6449	15918	14119	52279	5483	24844	12857	9006	10162	13563	12102	11940	12755	15010	11559	6104	10435	23595	26703	8849	0	0	0	13630	15789	0	12877	10433	11906	11777	9115	0	4034	2424	4011	13378	8148	11504	14574	13141	3565	6437	3395	9049	11023	15763	40590	30632	38403	10140	11313	9796	9166	10303	0	7026	13450	15119	7100	11564	7020	18697	3896	0	18537	6251	7359	37625	15641	14289	28933	14102	10843	0	13920	15146	3931	4010	4937	16926	7485	16281	5732	17896	6855	0	15024	2749	Phytochemical	0.16666667	1.2916666	0.041666668
22	C24 H31 O4 N1	398.23257	398.2329	-0.30382633	398.23245	10882	9897	7493	8050	5900	1795	6119	8055	2481	10598	16777	6605	0	0	4895	11830	15516	0	2890	11973	18662	5699	6688	8157	6743	39899	5574	15030	7172	9372	6424	9418	9041	6324	6356	12937	11326	5159	15423	10903	21918	5161	0	0	0	7065	12673	0	7692	6824	9050	9448	5510	0	2098	2805	5089	13430	4918	12462	13608	9592	2539	2945	2426	3661	6966	18544	30834	24888	31647	8791	5981	6697	8750	9388	0	4305	9487	15152	6522	4732	9640	14311	2884	5072	9933	7169	4013	29599	15566	8550	19348	9103	8544	0	6077	8189	4616	1351	2737	12352	4542	9532	4330	9816	4160	0	11232	2485	Phytochemical	0.16666667	1.2916666	0.041666668
18	C17 H35 O9 N1	398.23846	398.23877	-0.38830483	398.2383	0	3745	0	0	9716	1733	0	0	0	0	0	0	1813	2146	0	0	1674	0	0	0	0	0	0	1284	1363	0	0	1436	0	0	0	0	0	0	0	0	0	0	1496	0	0	6059	2002	1813	1637	0	0	1737	0	0	2419	0	7345	1640	3846	0	11260	0	0	0	0	0	0	4941	42046	20096	44345	4341	0	0	0	0	0	0	0	0	1655	0	0	3300	0	0	0	0	2772	18976	0	2645	0	0	2799	0	0	0	0	1124	0	0	12894	0	0	0	0	0	3016	0	5824	2154	0	0	Lipid	0.5294118	2.0588236	0.05882353
14	C17 H35 O9 N1	398.23846	398.2389	-0.33075485	398.2383	6218	5802	14396	8844	3592	3778	4446	4112	5468	5804	5340	4244	7804	3184	5266	5754	4666	3450	5072	3146	0	0	5486	0	5322	4624	17594	0	4926	2406	3906	0	0	3454	3650	0	4004	0	0	7760	0	7444	6580	7960	8346	7370	24016	8142	4748	5890	0	3928	3634	12940	0	7826	10540	3500	16438	0	0	10694	4626	2420	77870	5830	4958	9594	0	3874	2914	0	0	5476	3704	2228	11022	1946	0	0	3044	4962	0	2506	7608	24762	3042	3406	3138	10638	0	0	3940	0	9644	7680	5002	0	7392	5016	8558	5158	3866	22724	868060	2910	11632	8306	5000	0	Lipid	0.5294118	2.0588236	0.05882353
16	C17 H35 O9 N1	398.23846	398.2388	-0.42914402	398.23828	0	0	0	0	0	0	1220	0	0	0	1289	1166	0	1480	0	2009	0	5545	0	0	0	0	0	2530	0	0	2567	2334	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3710	3984	3617	0	0	3605	0	1496	1535	0	0	3686	0	0	1221	0	1235	0	0	1443	0	0	2189	2088	0	3031	0	0	0	0	0	1376	0	0	3615	0	0	0	1348	0	0	0	1389	2284	0	1500	0	0	0	0	0	0	0	2679	0	0	0	0	0	0	0	0	20063	0	0	3428	0	0	Lipid	0.5294118	2.0588236	0.05882353
2	C17 H35 O9 N1	398.23846	398.2392	0.1738702	398.23853	0	0	694	0	528	0	0	0	0	7596	4264	0	546	575	0	411	0	0	484	0	0	0	0	0	0	0	0	21422	469	0	0	0	0	0	3693	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1171	755	0	0	774	0	377	0	0	0	0	0	0	486	0	965	926	597	0	0	0	0	0	0	277	0	0	0	565	15424	0	0	0	0	0	534	675	507	0	0	21397	15819	1735	4113	3225	0	581	0	0	589	1099	0	0	0	0	0	1068	0	366	2849	Lipid	0.5294118	2.0588236	0.05882353
18	C25 H35 O1 N1 S1	398.25122	398.25156	-0.4201393	398.25104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1907	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2926	0	0	0	0	1806	0	0	535	0	0	1514	0	3367	0	0	0	1877	0	310	0	0	0	0	52507	7184	0	6230	0	0	0	0	0	0	0	0	0	1872	2633	1353	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2103	0	0	0	0	0	0	0	1708	0	17451	74243	0	0	1070	0	0	Organosulfur	0.04	1.4	0.04
8	C21 H35 O6 N1	398.25372	398.2542	-0.296663	398.2536	9645	8153	7561	10439	1356	3212	6607	18749	914	4518	2183	5997	1437	0	6783	12179	5761	1055	2158	7344	5149	14912	4233	6501	10032	1468	6493	0	14395	13688	15315	14888	14932	6473	7450	14725	13992	6440	9576	4765	1482	2264	0	0	0	2002	2080	0	22888	17943	9859	8631	2492	0	1772	696	1566	11903	0	0	10248	1162	1129	1411	0	2278	3184	7256	0	2939	0	11676	9350	10101	15205	10642	0	7597	6265	9513	3670	879	618	2862	0	0	23879	1850	3400	21429	70055	75039	10773	13657	16219	0	8691	7819	1270	907	0	8301	7107	8006	0	9049	0	0	7564	979	Lipid	0.2857143	1.6666666	0.04761905
10	C21 H35 O6 N1	398.25372	398.25418	-0.3047008	398.2536	7265	8031	11184	8161	1128	42047	6393	29722	2314	6419	1511	7459	1697	1484	5611	16784	5582	1284	4256	8887	4932	8774	5511	5154	9624	2028	5206	0	14751	22051	27854	19913	19709	17886	4956	16668	18233	4339	9983	4795	0	3698	0	0	0	3567	1548	0	30554	27299	12083	9352	1735	0	2433	653	841	17048	0	0	15252	1821	0	903	831	1890	1984	11069	0	4069	2262	47014	14000	17364	10186	14349	0	9324	4836	0	2386	0	0	1692	863	878	16632	2288	3737	20519	32726	6927	11285	5560	6188	0	9885	8893	0	877	1307	12593	8850	12684	0	11004	1014	0	6398	0	Lipid	0.2857143	1.6666666	0.04761905
12	C21 H35 O6 N1	398.25372	398.2542	-0.22835545	398.25363	4822	7728	2736	5545	1363	26706	0	49520	0	2373	1890	5992	0	1241	4729	8958	3655	1928	1637	7218	4305	5671	2487	2687	7249	0	2568	0	12578	14993	26451	11062	11810	8257	6386	13499	7990	5600	6956	0	0	8380	0	0	0	2194	0	0	19044	23059	4361	3653	2132	0	0	889	1131	9374	0	0	0	0	1867	1189	0	0	2496	6743	0	1319	1884	47453	10897	19405	5919	6367	0	8853	2143	0	1122	0	0	1462	947	993	8381	1899	2194	10671	13259	10375	6437	0	0	0	5992	6855	0	0	1588	4955	6704	4593	0	8001	1495	0	3428	2734	Lipid	0.2857143	1.6666666	0.04761905
14	C21 H35 O6 N1	398.25372	398.25406	-0.22869384	398.25363	1843	0	2718	2104	1928	2665	2308	8256	1422	0	0	5408	1779	1767	6276	5356	5232	1800	0	2542	4455	4325	2723	5294	3801	0	1638	0	8970	8116	5424	8664	8950	5757	3820	8306	5522	3098	6826	2208	0	2180	0	0	326	1716	0	0	3342	4468	2701	3320	0	0	0	0	625	5549	0	0	0	0	0	1605	964	0	2312	6766	0	1736	2253	5038	5577	7091	7323	4823	0	3616	1921	0	2452	0	1304	1243	1167	0	2472	1834	2493	16373	21925	0	10424	0	0	0	1951	1932	1469	1706	0	5636	2694	5081	0	3721	1047	381	4131	0	Lipid	0.2857143	1.6666666	0.04761905
16	C21 H35 O6 N1	398.25372	398.2541	-0.24261293	398.25363	6530	5785	5656	6725	1967	3343	6676	10558	1874	1715	2349	5205	3330	3865	2573	9906	11523	0	5874	3772	2368	3535	6810	10411	6424	2947	7089	2164	8457	9512	6331	8847	9034	7045	2819	12568	9326	4146	9377	3167	2464	3253	247	0	0	2509	1602	0	9093	9157	3089	4399	3163	0	3300	2405	2612	10097	1410	3047	8054	0	2420	1593	2616	2114	3572	8384	0	5813	1952	4658	7488	12435	11068	8532	0	3639	5629	4448	5296	1692	3141	1754	3314	2042	8407	3483	3534	28576	21128	7963	0	2668	4586	0	5181	6812	1494	6154	8895	11912	4778	5917	0	0	4114	0	9443	3530	Lipid	0.2857143	1.6666666	0.04761905
20	C20 H35 O5 N3	398.26495	398.2651	-0.28975168	398.26483	0	1758	0	0	0	0	0	5423	0	0	0	0	0	0	0	41510	0	0	0	0	0	1511	0	45710	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6432	0	0	0	0	0	2643	0	0	0	0	0	26785	0	0	33746	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3678	1763	0	0	0	0	0	0	0	0	1796	2493	0	5044	0	0	0	0	0	0	0	0	0	0	0	0	1576	0	0	1252	0	Peptide	0.25	1.75	0.15
10	C25 H35 O3 N1	398.26898	398.26935	-0.27974063	398.26886	0	1584	913	1286	0	1223	4290	2995	0	0	0	3677	0	0	1107	6013	16414	0	0	1407	1175	0	2250	1277	3379	0	7373	0	4220	6154	4316	6097	24062	3702	0	6689	18653	1624	6757	0	0	7345	0	0	0	0	0	0	5087	4837	1186	1391	805	0	0	0	2349	1558	0	0	0	0	0	0	1480	0	4922	31383	0	0	0	4225	0	3895	7752	3214	0	2102	2322	0	3051	0	0	0	0	869	1382	0	2612	1905	0	0	5161	0	0	0	2721	1692	0	0	0	20191	3381	0	0	2847	0	0	0	0	Lipid	0.12	1.4	0.04
14	C25 H35 O3 N1	398.26898	398.2694	-0.29221004	398.26886	0	1658	1783	0	0	0	0	4134	0	0	1730	2387	0	0	1787	4166	5539	0	0	0	2047	0	0	0	0	0	3858	0	6280	3573	3692	0	44146	0	0	7877	35634	0	0	0	0	3506	0	0	0	0	0	0	4547	2067	0	3184	0	0	0	0	1429	1720	0	0	0	0	0	0	0	0	1212	17175	0	0	0	1545	4484	3343	5274	3172	0	6708	0	0	3119	0	0	0	0	0	0	0	2053	0	0	0	2690	0	0	0	2027	0	0	0	0	37988	4519	0	0	0	0	0	0	0	Lipid	0.12	1.4	0.04
12	C25 H35 O3 N1	398.26898	398.26938	-0.27777675	398.26886	2742	4357	3490	3456	0	1530	4607	4850	0	0	0	6336	0	0	1143	7186	17668	0	0	1738	1601	0	2952	4044	1603	0	15131	0	12211	8512	4750	8758	51744	7927	0	10151	40459	3593	6243	0	0	14325	0	0	0	0	0	0	12863	4710	3846	0	3275	0	0	0	6712	3081	0	0	0	0	0	0	2470	0	6944	46756	0	0	0	2878	7107	3621	11915	5392	0	5635	4152	0	5932	0	0	0	0	1555	1745	5272	5353	14811	0	0	13543	0	0	0	2099	3032	0	0	0	49128	3355	0	0	4384	0	0	0	0	Lipid	0.12	1.4	0.04
18	C18 H39 O8 N1	398.27484	398.2752	-0.12601061	398.27478	3161	1693	2168	0	2389	2288	0	0	1159	0	0	0	12134	8855	0	0	3002	0	0	0	0	0	0	0	0	0	0	1764	0	0	0	0	0	0	0	0	0	0	1954	0	0	6523	3274	455	0	0	0	0	0	0	1966	2408	2019	15379	2395	0	5280	0	0	1463	0	0	2723	56934	21679	105770	168230	2566	0	0	0	0	0	11700	0	0	629	0	0	7157	0	2877	0	0	0	6954	0	3162	0	0	4541	4342	0	0	0	543	0	2519	0	0	0	0	0	0	1357	0	1724	584	0	0	Lipid	0.44444445	2.1666667	0.055555556
20	C18 H39 O8 N1	398.27484	398.2752	-0.30236357	398.27472	3105	2690	2837	3768	2563	3191	0	0	0	0	0	0	12941	11753	0	0	2694	0	0	0	0	0	0	0	1830	0	0	3431	0	0	0	0	0	0	0	0	0	0	2011	0	0	5517	4742	0	0	0	0	0	0	0	4412	1950	1747	8766	2193	0	5776	0	0	0	0	0	3192	3837	19953	97814	296751	3338	0	0	0	0	0	0	0	0	561	0	0	5569	0	4744	0	0	0	8073	0	3856	0	0	9426	3113	0	0	0	0	2223	4358	1361	0	3090	0	0	0	7933	0	0	0	0	0	Lipid	0.44444445	2.1666667	0.055555556
26	C22 H39 O5 N1	398.2901	398.2904	-0.28894296	398.28998	5256	6396	4668	8082	4131	6260	19907	7093	2418	2384	5638	3163	0	4641	7022	0	5648	4695	5461	0	0	3404	0	0	19790	0	17878	15248	11543	7502	5872	6905	7058	8712	2622	14708	6926	9860	4083	3441	2160	26941	0	0	0	0	0	0	8515	5926	7082	5545	5440	0	0	0	5928	8143	4768	3789	7402	3326	4138	4285	7830	14584	16893	11249	0	2380	2268	2781	6163	7593	0	6368	0	3157	4604	12897	0	5324	8511	4679	0	8321	7926	3426	5401	6583	22747	25427	6398	4714	0	0	5033	7355	0	4514	5597	10192	0	6320	10070	4728	0	0	5604	3368	Lipid	0.22727273	1.7727273	0.045454547
24	C22 H39 O5 N1	398.2901	398.29044	-0.23310353	398.29	5919	8034	7301	7015	7717	6156	43835	6243	2381	2299	4710	2414	1865	8547	6289	9985	9627	0	3667	4583	1491	2824	2880	3352	9398	3515	40794	6837	9740	7494	6044	12565	8794	12353	2932	15392	6743	6095	15587	1043	4092	7975	0	0	0	2976	7679	0	8773	7079	7482	5553	3710	0	2922	2366	3470	14550	3114	8739	10693	2167	5612	1899	5609	9147	12540	15944	1275	1384	3682	6441	7221	10668	20665	9537	0	2949	5802	9792	2089	5148	15398	11218	3879	3370	14238	4345	8538	19546	17368	17005	7978	4020	3027	0	5434	11072	2131	2386	3385	9785	3336	7989	4562	6092	4542	0	9879	4884	Lipid	0.22727273	1.7727273	0.045454547
28	C19 H10 O10	399.03467	399.03497	-0.2115808	399.03458	4392	4672	3346	5489	13236	4741	2382	0	10642	0	0	1840	18429	7285	4440	2963	2300	18637	21750	0	0	3877	4634	2758	0	0	3162	0	0	0	1481	941	4198	1368	2132	0	2681	3366	1653	0	0	2795	0	0	0	0	2796	0	1194	0	6175	4047	7246	0	14142	7438	4494	1595	0	1121	4238	0	22377	11814	4607	16172	4271	2221	0	0	0	0	0	0	0	0	0	1602	12612	0	9012	0	0	0	16998	8982	9365	5076	7351	6997	963	0	4060	1891	3344	0	5473	4160	4201	10900	16676	2752	1191	0	0	2947	9323	0	3733	21976	Phytochemical	0.5263158	0.5263158	0.0
24	C18 H15 O7 S1 Na1	399.0509	399.05118	-0.6232	399.05066	0	0	0	0	3600	914	0	0	0	0	0	0	1488	0	0	0	0	4848	8116	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1936	2644	0	0	3732	1118	0	0	0	0	0	0	0	0	1508	1729	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30822	6737	0	2270	1540	0	0	0	0	0	0	0	0	0	20488	0	0	0	0	0	0	0	1912	0	0	2726	Organosulfur	0.3888889	0.8333333	0.0
12	C16 H14 O12	399.05582	399.05634	-0.017612424	399.0558	3645	3231	3634	4801	20722	6106	0	0	29225	0	0	2410	35683	4875	0	0	0	14351	16694	1357	1460	7836	3468	0	0	0	0	0	0	0	0	0	2282	0	1765	0	0	1220	0	1219	0	5947	0	0	0	0	0	0	0	0	2276	4718	8686	0	14501	28078	9019	0	0	0	0	0	48332	25500	5871	28245	8102	0	0	0	0	0	0	0	1781	0	0	1093	2043	0	1396	0	0	0	18625	3007	2332	6974	4426	3928	0	0	1950	6488	1354	0	4109	5007	17437	33724	26206	3472	1793	0	0	0	13818	0	0	55634	Phytochemical	0.75	0.875	0.0
14	C16 H14 O12	399.05582	399.0564	-0.10718843	399.05576	4148	5584	0	4119	20493	6410	0	0	28976	2799	1484	3176	35510	6420	0	0	0	10043	10809	0	0	0	3162	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1614	0	0	0	4348	0	0	0	0	0	0	0	0	2536	3331	11665	0	20318	26789	9429	1628	0	0	0	0	52650	24456	8328	28520	6811	3473	0	0	0	0	0	0	0	0	0	1255	3211	0	1414	0	0	0	22307	2679	4020	7604	5441	0	0	0	3118	6550	0	0	2379	5312	16938	36329	27741	0	3062	0	0	1442	9991	0	0	46743	Phytochemical	0.75	0.875	0.0
10	C16 H14 O12	399.05582	399.05643	-0.102080196	399.05576	5080	5106	2622	4260	38124	8858	0	0	34876	0	2712	2838	49108	5216	2014	0	0	21490	21104	3398	2994	4120	3402	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1762	0	0	968	6322	0	0	0	0	0	0	0	0	5752	6836	18410	0	26918	38516	9268	0	0	0	0	0	71328	36508	8434	44310	8198	2438	0	0	0	0	0	0	0	0	0	1826	5968	0	4490	0	0	0	35610	6706	4558	9320	7170	0	0	0	0	7508	0	0	4990	5254	23148	63752	38146	3124	2634	0	0	0	23836	0	0	70672	Phytochemical	0.75	0.875	0.0
28	C20 H14 O9	399.07104	399.0714	-0.18729004	399.07098	5846	6412	6215	5316	11109	5375	2823	0	8783	11016	3561	1374	18667	5806	3808	2859	0	17534	14888	5206	7245	14907	5601	4045	3934	3563	1828	1644	0	0	911	1022	2306	1246	15589	0	2247	3028	1653	3490	6363	3150	0	0	0	4462	6401	0	1280	0	6629	6645	6853	0	13476	7141	3052	2473	1714	3082	2577	2824	17407	11895	4566	14652	5667	2697	3748	6435	9373	1243	901	0	0	1866	0	1208	12160	11404	9831	3896	3362	3117	17142	7616	7886	4398	3966	3216	3353	6745	3818	18779	23172	0	6392	6805	8905	10890	13091	2631	1186	2723	2730	2681	9533	0	2791	18561	Phytochemical	0.45	0.7	0.0
18	C20 H14 O9	399.07104	399.07147	-0.1600976	399.07098	40869	39936	33223	34179	51505	30142	9048	5524	50789	87156	55342	6896	81873	26115	13988	12628	8960	71311	62973	54465	62106	81180	21534	9209	11355	40684	13278	26885	3369	4933	5643	4952	17676	0	100374	2080	16534	16909	8326	41839	47194	17890	1671	378	0	39915	43652	615	7623	4779	38994	31138	36777	255	64076	44397	29719	8773	9836	11873	15946	35145	95527	51325	24273	73773	28663	11213	38842	48852	58768	4333	1928	0	6544	4921	324	9291	41934	58612	32149	37246	9908	27896	61588	39015	36196	27498	25432	17269	16414	23186	16587	92257	107333	417	34557	29949	47089	62064	53926	17409	9422	13384	26589	12898	41464	0	11389	73068	Phytochemical	0.45	0.7	0.0
14	C20 H14 O9	399.07104	399.07153	-0.11052706	399.071	22036	17695	14275	18231	24491	13031	4065	3296	35404	69560	41676	2835	32322	15371	8571	6446	0	32003	36121	36272	43643	48504	8562	9817	2548	22346	4097	21148	0	1403	2562	0	6163	2659	79596	1853	6464	8392	6220	20000	25401	11093	0	0	0	20960	42870	0	2157	3101	20705	21260	20545	0	28827	23749	16199	8750	0	7705	0	18743	47912	35122	12576	27643	13374	7702	27611	28354	43825	2766	2990	1560	3614	3977	0	2516	18344	32063	13655	20430	7233	12340	32380	16728	21531	12757	15207	9333	10349	9586	11134	60407	61390	0	21708	15691	29316	34354	37345	3998	4273	6846	0	7338	23954	0	3747	40348	Phytochemical	0.45	0.7	0.0
26	C20 H14 O9	399.07104	399.0714	-0.22465643	399.07098	6741	6678	8501	6635	14084	11720	1901	0	17022	11524	3087	3795	24359	10173	0	0	0	32932	20794	0	11270	25648	6219	0	0	0	2186	0	0	0	0	0	2664	0	15853	0	3643	4278	2668	7058	7297	0	0	0	0	6472	6560	0	2618	0	7078	8735	10807	0	16627	8056	5100	3471	3869	0	0	3543	26687	14257	0	15460	4458	2746	6881	8114	11545	0	0	0	0	0	0	0	14032	11919	9163	4515	3804	3934	17247	0	11848	6243	5437	5961	5175	3486	4521	22231	29335	0	7452	7268	10508	17328	15511	0	0	0	0	2486	10279	0	5076	30067	Phytochemical	0.45	0.7	0.0
20	C20 H14 O9	399.07104	399.07147	-0.1630843	399.07098	31214	29261	27639	29961	46645	26418	14209	5132	42083	69466	33361	11228	68765	26584	17538	15027	9008	59690	55679	29425	53185	56825	19944	10526	13177	29579	13049	15296	6682	4044	6045	5960	16725	2375	66454	3896	18501	15460	12269	33671	30839	15763	1583	0	524	28857	42379	1869	7761	6556	37548	30626	36593	0	43508	45501	23197	14590	8942	10467	12936	24574	69667	46587	21874	51624	31490	12339	31645	33766	39184	6320	2696	1416	9545	4245	498	7694	40167	53189	31484	21740	8521	25421	55874	31507	29934	21941	22688	16483	15093	19161	18478	82292	73940	0	26434	31379	38775	51423	48998	16219	8349	12752	22021	16373	37643	0	14033	72616	Phytochemical	0.45	0.7	0.0
16	C20 H14 O9	399.07104	399.07153	-0.11436841	399.071	35751	33628	28706	27365	40968	23040	7588	3238	53732	97797	57168	9910	56599	19285	12728	13059	4062	52767	52479	48941	58418	80098	17067	12031	5893	30846	7429	23117	6126	2248	5025	4218	8319	4265	117804	2636	10822	12706	8589	35844	34569	11801	846	0	0	32772	41552	516	5522	4226	30409	31319	30544	0	41598	40620	22199	13702	10244	9841	12623	29996	79932	45727	19153	56680	21020	7448	40598	45473	57029	5681	2791	1337	4657	4269	0	9069	33054	61702	21941	36858	6451	25446	49156	26857	29772	18535	20272	0	12976	20884	0	91490	98716	0	34328	25571	40011	47287	43855	9901	8252	10766	27183	0	38056	461	12043	69317	Phytochemical	0.45	0.7	0.0
12	C20 H14 O9	399.07104	399.0716	-0.04901231	399.07104	6895	8106	15532	7894	15786	4362	0	1816	13624	30248	26228	2868	14204	3814	3055	4964	0	9615	10435	13271	18295	29058	6301	3890	1306	8454	1938	0	0	994	1617	0	4038	0	40120	0	2383	1868	2199	7133	17741	3206	278	0	0	7878	13233	0	2715	1136	7673	10364	7258	0	13467	13358	3920	0	0	0	0	5543	25312	9286	5331	11696	6129	0	0	10549	25013	1760	0	0	1542	905	0	3082	8568	0	9516	10046	846	3211	13555	6568	8854	4117	6741	7860	0	6680	2538	24441	22400	0	8999	8339	16151	16072	13080	2576	2724	0	0	2135	11948	0	1291	12146	Phytochemical	0.45	0.7	0.0
24	C20 H14 O9	399.07104	399.07144	-0.14017442	399.071	12404	10353	11851	8998	24563	11019	2447	2052	23303	20852	6196	3976	29916	15796	5255	5714	3929	28685	29641	10904	11774	29401	9241	4230	3810	7216	4828	3487	1713	1436	1710	2120	6034	1224	27836	1869	6443	5849	4070	4255	11301	3066	0	0	0	6443	13465	0	1726	0	11415	10919	11736	0	22767	11503	5380	4710	2620	4047	2738	5914	32337	20369	20288	21641	11001	3095	9293	7283	15508	1820	2388	0	1327	937	0	2689	18263	17934	16240	6619	3333	6521	31960	14404	17140	8014	8197	9721	5380	4901	6264	31809	35348	0	9960	13914	16833	21012	22774	5188	3654	4979	6406	7781	20840	0	6485	32378	Phytochemical	0.45	0.7	0.0
12	C17 H18 O11	399.0922	399.0927	-0.124398984	399.09213	111366	113447	116203	122525	163879	119703	50085	58451	267292	131693	130523	63186	337436	65886	65632	63296	54572	251323	257248	109564	173109	198270	98380	64077	18344	7563	36011	33438	43857	40197	43601	43419	82460	37924	183164	41211	78097	66520	54240	68341	148312	87082	2939	394	274	61844	129844	492	45180	50211	119218	117142	128709	267	328723	186819	86447	59344	60097	59565	70477	84845	424085	292726	69030	232909	98751	76284	55591	34015	82953	45674	40099	35562	49545	38637	0	63429	78957	79094	75043	64269	17963	18583	175394	79453	68951	87775	94439	60658	33869	73342	71241	177621	113203	0	123437	128356	195394	170974	164920	84463	58263	50186	94908	70143	147582	0	29936	433312	Phytochemical	0.64705884	1.0588236	0.0
8	C17 H18 O11	399.0922	399.09274	-0.18873414	399.0921	44505	43208	31932	43934	65154	31576	11394	16868	84746	57893	63737	23306	132698	24635	21752	28468	29094	74913	83344	46272	66144	66090	32294	25327	3711	2820	12350	13943	10718	10345	13793	15572	22197	16325	73728	14882	24247	22040	29051	25655	47566	33713	880	0	0	15242	41198	0	16374	15641	43225	43834	48012	0	86694	84524	41439	22854	17860	27111	25160	23943	160553	95067	35662	82325	31943	33461	15945	10434	25640	16223	15194	8909	18823	16019	0	17115	42964	32646	29600	13011	8073	5976	93400	30516	29807	37868	33054	32788	0	20719	27031	79158	54491	0	40882	40883	80290	114283	100392	29725	18623	20796	17259	21956	72354	0	11267	141991	Phytochemical	0.64705884	1.0588236	0.0
20	C17 H18 O11	399.0922	399.0927	0.040155593	399.0922	10449	11558	11418	9158	13206	12729	0	5992	23468	7843	7765	7858	35977	5840	7112	6142	3903	24066	17045	10741	13355	10076	9969	4032	2934	2032	2230	5433	4380	6412	5621	3163	6920	4093	9925	2653	10225	5653	7105	8707	5911	7163	832	0	402	9700	21726	555	3540	4537	12401	10792	9997	0	26892	12496	8181	4601	9085	5895	3428	9214	28898	26659	9480	18921	11964	4478	4746	0	6246	6233	4046	3026	3437	4199	608	8487	8442	9919	9987	11433	1709	0	21922	10182	7066	8502	12278	4506	7492	7874	7994	11841	11500	0	9094	6931	17148	17501	11785	5618	6121	7178	14736	10956	15283	0	2249	37355	Phytochemical	0.64705884	1.0588236	0.0
18	C17 H18 O11	399.0922	399.09265	-0.09853349	399.09216	33239	24214	32161	33066	39962	41603	7139	14378	61774	20383	21588	18486	107934	21883	22412	13614	12755	78013	59780	21041	39126	24050	31240	11386	3503	4480	7196	7450	9040	10509	15595	10381	26367	14295	28932	9619	18213	18539	11882	21178	24823	19886	1249	0	345	21981	46223	784	10819	15717	26988	27695	37172	334	77717	45053	26894	17752	16852	9789	9413	32761	84364	62951	21189	57960	30227	13321	18859	13415	22172	11817	12034	12130	8867	9354	331	16476	18168	15957	19478	27851	5038	6178	49474	22503	21868	22305	23628	9625	6654	20253	14126	21496	20038	0	28910	27684	44974	37904	24194	18907	18093	10351	26671	15489	33912	0	6589	101067	Phytochemical	0.64705884	1.0588236	0.0
6	C17 H18 O11	399.0922	399.0928	-0.17096986	399.09213	13383	14786	12119	11741	25664	10382	2622	4696	28636	13846	16467	8388	45816	8495	5979	9770	8944	24390	28536	8195	17826	14337	10564	9678	978	0	4260	4941	2743	3833	3832	5539	6412	3351	17059	3123	6674	7654	10054	5275	10825	10877	0	0	0	2907	8322	0	4774	4284	11419	12485	14116	0	27194	31473	11836	8147	4206	7796	7592	5394	50585	25258	12120	30300	10569	8957	5073	0	6231	4531	4658	2388	4541	4002	0	4169	11832	3525	7909	3634	1771	1219	36324	13662	9478	13718	12894	8481	0	2660	7412	17600	7811	0	12552	13493	22041	46474	47167	7971	5284	6101	0	7735	26732	0	3209	47488	Phytochemical	0.64705884	1.0588236	0.0
10	C17 H18 O11	399.0922	399.0927	-0.1523649	399.09213	89011	81043	76044	77404	137750	80636	25839	41860	184590	121411	112212	50926	254640	49535	45317	49160	49163	179642	166280	85442	132880	145060	73451	49345	10623	8807	34289	32394	25006	27713	28616	32518	60084	31550	145368	28707	55656	46643	48749	56517	90836	61336	1632	0	0	49675	82223	483	29741	35279	90493	83857	96936	433	200646	147236	72496	44082	41832	47856	49662	55838	275893	213295	66253	171024	72752	55682	48876	22435	43460	33830	32757	26559	37765	27108	0	39671	80143	70002	54863	37647	15734	12999	158709	62210	61077	72154	61083	51469	19578	38850	58764	163621	116947	0	85723	88255	137298	165747	152526	56149	44475	46076	58339	49259	129161	0	22953	286102	Phytochemical	0.64705884	1.0588236	0.0
6	C16 H18 O10 N2	399.10342	399.10403	-0.16783553	399.10336	14593	12818	11586	13370	12471	6604	4239	11553	17630	7026	8402	12507	24076	3242	5160	10650	13635	22635	19339	6745	16287	14485	11394	10244	2042	497	2987	0	5269	6188	6504	7074	12694	5330	10086	6741	11699	6526	11933	6224	16576	12271	0	0	0	7458	11548	0	7264	9733	11840	11267	10922	0	19686	15814	9110	6091	6613	11348	9851	6870	35523	22983	11017	21001	13235	15946	2019	0	3757	7618	6913	6945	6299	6110	0	5793	7186	0	5031	4718	2487	1987	19251	8702	6347	17148	13242	16254	0	4240	17743	11452	7713	0	11321	13197	10262	18594	16102	13412	8532	8391	0	13918	9926	0	3446	36785	Phytochemical	0.625	1.125	0.125
12	C16 H18 O10 N2	399.10342	399.10397	-0.12568855	399.10336	15697	22427	13313	24772	18178	13814	7309	12651	29787	9153	18929	22322	35979	6633	16364	11563	23604	32742	31550	13660	22713	43512	26309	12508	2750	0	3668	0	12027	8334	15720	13489	21547	11189	22003	6614	21405	13015	16871	12614	34740	21605	0	0	0	11201	20540	0	12151	16909	21324	17027	21237	0	31502	18009	11553	14769	15136	12600	18207	17191	53657	33558	14471	29071	20855	25635	0	0	6354	14305	7978	12312	17490	10509	0	16302	14756	16397	15586	10573	6903	2442	22064	12458	11666	20009	21369	27518	4685	11805	29860	20610	5465	0	20013	24065	14430	16505	11662	26545	20511	14742	0	24624	12132	0	8064	51666	Phytochemical	0.625	1.125	0.125
10	C16 H18 O10 N2	399.10342	399.10397	-0.1283562	399.10336	29671	29966	21467	25500	24378	17506	8400	23768	36514	18639	29152	27562	42658	7028	16259	22163	27602	35134	39219	17082	31779	41457	33131	26280	5045	0	10449	4638	17006	15671	17625	15418	27078	13410	28501	16608	26194	15992	22664	20457	40334	24303	0	0	0	10476	29588	0	15952	19470	26700	26717	21694	0	48911	24718	16004	22055	20605	27678	24256	22349	67178	45747	18602	34870	23936	34351	8377	0	6974	16267	19044	15719	19870	12626	0	17844	18572	10663	17009	13626	5481	3308	30252	13251	16423	30456	29825	35906	6960	19632	38837	26843	15690	0	26920	29930	20879	22777	22973	30299	26836	20285	13994	34002	22618	0	7418	61719	Phytochemical	0.625	1.125	0.125
8	C16 H18 O10 N2	399.10342	399.10397	-0.18706983	399.10333	43760	58680	37530	55484	47236	26390	11820	37594	56880	38624	51350	49104	77958	11554	26344	40082	55124	54434	68788	35156	65660	64190	56178	44262	7546	2831	17280	4564	26084	29006	27230	27596	44198	26604	52134	22010	47166	27868	47158	34986	72986	48782	0	0	0	28172	64666	0	33358	33944	50282	51154	37164	0	81370	48310	34556	26922	29928	45056	39452	44238	115922	100744	38400	65516	44170	57996	0	6562	11682	28994	28390	21578	35296	29410	0	30380	39050	11582	27454	16254	12146	6184	56094	18548	29794	64652	55074	63984	0	22052	62492	54106	29784	0	45888	48674	43486	54434	59250	51542	34700	42188	23822	56956	39588	0	11914	123518	Phytochemical	0.625	1.125	0.125
28	C21 H18 O8	399.10745	399.1078	-0.21362227	399.10736	7460	8645	7701	7133	10797	4335	2208	2192	10811	17045	7443	1921	15074	7954	3566	4117	2623	13927	12611	11638	13985	15865	5615	3608	2636	17800	2085	8459	0	0	2732	1825	2950	1272	24163	2219	2045	3165	2351	8652	13618	2929	0	0	0	6926	12201	0	2176	0	7251	7604	7066	0	13093	7993	4297	2617	2677	3413	2105	5100	17266	9667	3925	13694	4494	2269	20679	26289	31686	1227	0	0	0	1792	0	1467	8403	14221	7609	6475	2464	5797	12503	7566	5963	4158	4278	2729	3541	6474	4258	16637	21698	0	8832	6301	6959	12398	15409	2592	2062	2693	4359	3478	8030	0	3352	14958	Phytochemical	0.3809524	0.85714287	0.0
24	C21 H18 O8	399.10745	399.10782	-0.20968257	399.10736	19804	23503	21845	20149	30719	17768	3938	3361	35899	71413	37022	5578	45892	22336	9865	6127	4637	35498	35967	38337	48324	44162	15373	7113	5155	60914	3993	26230	3557	1769	2710	4368	8592	4227	76501	4616	9952	9815	5937	30037	31078	6851	0	0	0	30220	33178	0	4036	5136	24983	19317	19516	0	29777	26854	13514	4798	7167	4508	6225	23101	52558	29732	14432	34721	12931	6161	60076	62840	87995	4955	2872	2661	3650	3702	0	4306	25821	30057	19592	24024	6989	23036	40991	16182	16388	12933	12084	5916	10205	11289	10737	47032	70344	0	25663	19931	27492	34271	35574	5173	5411	10221	19684	8875	29071	0	10502	46205	Phytochemical	0.3809524	0.85714287	0.0
16	C21 H18 O8	399.10745	399.1079	-0.14229502	399.1074	98129	98714	94472	89538	92342	63597	36315	38584	100341	325677	192663	34806	117085	57417	42777	49037	30819	101952	105210	242959	215412	148444	57183	56330	38707	274903	30885	138705	30541	27248	36344	48997	51315	34013	370566	27575	44652	35466	36050	145667	161775	39710	2902	382	571	122960	135183	688	39763	34261	99355	97563	61392	546	87559	69576	49551	60442	42742	41311	65648	103258	126478	73488	42251	100489	52203	39819	244103	335987	369105	36025	31070	24329	24286	41387	550	29551	77244	121627	64836	110981	38880	108975	93127	53694	65545	51679	50101	67898	56146	74991	70261	138910	173097	1277	87520	101654	88896	86294	88793	40186	27957	51738	88300	49149	78872	524	40370	111432	Phytochemical	0.3809524	0.85714287	0.0
20	C21 H18 O8	399.10745	399.10785	-0.15253974	399.1074	100323	90590	89627	81967	98973	75524	28008	33126	125380	266482	166698	19651	134602	73127	42604	35351	24769	127458	124430	197138	214441	147217	48801	37337	35055	263221	23791	144400	22879	21245	21297	26346	42602	22624	313028	19689	43042	34825	25525	137406	123466	41349	3507	0	760	119587	122285	1690	36338	22496	90231	84536	77136	861	102236	88231	54920	41639	30553	29540	36884	93574	147299	89955	42573	122173	57129	26860	223299	293314	334618	26139	22075	11419	17961	20783	764	24626	74050	118260	56298	91007	30899	125365	128803	66520	60962	48462	50274	39589	63078	69614	49373	156842	164943	1143	94138	81133	101292	103171	96366	43196	26590	41322	91764	34689	83491	0	31808	139065	Phytochemical	0.3809524	0.85714287	0.0
10	C21 H18 O8	399.10745	399.10794	-0.15902857	399.1074	16892	14021	11225	11819	8050	5042	4563	10807	11389	33007	27605	7525	7625	4657	5152	10514	9292	9071	9741	21005	21878	16583	7946	7237	2346	28177	6645	9649	5456	7844	6980	8964	6078	5853	39180	5650	5290	7748	8650	13034	16934	4468	692	0	0	11890	24482	0	9247	7260	15145	14642	5537	0	14404	8633	4778	9589	4566	10598	0	11923	8487	10015	4553	8605	5132	8253	30242	29779	43474	5083	4212	6026	6815	6708	0	5912	14340	12283	11792	14818	6916	9309	9456	6594	11675	6157	6971	14508	7428	3699	7795	14067	18116	0	10563	8635	10333	9985	10030	6769	5555	17450	0	6959	6181	0	7128	12626	Phytochemical	0.3809524	0.85714287	0.0
18	C21 H18 O8	399.10745	399.10788	-0.14898852	399.1074	122875	122543	117412	117722	113520	83076	39897	41584	115234	386378	233070	31577	170287	84328	50576	55770	30446	153234	163855	290995	264958	194930	57079	63502	41209	332844	35747	169710	38581	24360	32839	42757	54776	33325	430095	30264	59983	51004	44333	177718	159352	46467	4512	321	654	157547	155958	1172	43816	30868	115698	111299	87508	706	124893	104486	55275	56233	50894	38669	47569	128715	185103	90149	56353	134593	72926	44753	271437	369999	438714	31168	24659	25840	28453	33114	551	31623	101003	147887	77917	125473	42623	134991	132283	79307	85599	57394	70736	44032	76344	93117	70570	171117	248915	1400	126341	103368	120483	109890	103317	46454	30970	57976	99386	46733	88350	632	42547	157677	Phytochemical	0.3809524	0.85714287	0.0
26	C21 H18 O8	399.10745	399.10782	-0.19724526	399.10736	10660	11825	14550	9618	14901	8567	0	0	16351	34443	14599	0	26842	10173	0	6460	0	23901	23359	18769	22224	29163	4974	0	0	27444	3041	8619	0	0	0	0	4339	0	42554	0	4234	4376	4420	15847	20825	0	0	0	0	12546	18688	0	0	0	10309	10745	12180	0	21721	14959	7183	4815	0	3730	0	9106	25522	18154	6050	21345	5364	2117	33535	40614	52391	0	0	0	0	0	0	0	13701	20218	10087	13475	2701	13336	24255	8260	12423	8780	9727	4032	4705	7027	5467	27122	45061	0	11413	12321	11094	22210	20674	5691	0	0	7007	4157	13150	0	4449	24359	Phytochemical	0.3809524	0.85714287	0.0
22	C21 H18 O8	399.10745	399.10785	-0.18695883	399.10736	55776	46242	45915	48052	65918	39657	15220	14318	67445	142819	81690	10933	71955	42792	21644	18544	11189	67937	71729	88006	94749	85528	31936	19786	25166	134365	12476	62275	11546	7813	12934	12085	19926	13607	166878	10596	21941	20804	12787	74536	71925	21220	0	0	744	67101	70284	0	13064	14982	51389	49365	45454	883	61340	51985	27349	21471	16854	14147	17233	48557	98836	55268	40110	74118	31970	15893	133431	172295	190317	13395	7471	5776	5639	11440	998	14004	41989	59685	42129	54321	11065	50619	77438	46170	40294	24063	30588	21410	28017	38924	21483	92141	107004	0	45635	54527	61598	67897	61349	17254	12506	28052	52995	21773	46307	0	16831	79859	Phytochemical	0.3809524	0.85714287	0.0
12	C21 H18 O8	399.10745	399.10797	-0.14355747	399.1074	36155	35542	31728	30786	20555	12493	14163	16687	23344	72459	63529	13767	23833	11593	12787	22643	13283	24116	27858	55719	55032	56084	19755	30825	11265	70784	13113	31925	13985	14327	13465	15471	18336	14212	99990	10969	18772	19233	16451	38939	59729	11917	627	0	270	41771	53453	0	13353	17278	34890	32218	15525	0	26406	19351	14845	20569	14986	20041	0	35467	36707	22982	11906	22759	16031	23360	74418	95526	111143	18725	14942	15154	16550	18103	227	12165	25731	25993	25728	33493	17126	26084	26143	10772	26116	13147	13315	31200	22173	19951	17484	41403	54058	0	36822	33710	26796	24981	20420	21256	12979	18166	19279	18496	20967	0	15106	30124	Phytochemical	0.3809524	0.85714287	0.0
14	C21 H18 O8	399.10745	399.10794	-0.15014848	399.1074	67601	66429	53457	60572	52096	34974	27602	35392	60226	174210	133123	28928	59060	31841	30726	34986	25000	56697	64549	118529	122171	92751	36262	38322	23123	166308	26016	78613	18283	25250	25526	24836	37557	20208	202641	26900	27621	32205	36034	84170	102914	23915	0	0	268	78533	107363	461	31759	23037	65734	56644	36626	278	54212	39616	29481	37593	35275	26635	39551	64945	71552	46427	26528	56180	34027	26203	154738	174590	217951	24283	21651	19704	21021	30748	290	26838	57845	90873	41546	67401	26302	58061	57226	39929	51362	33546	36729	36910	28967	43050	45350	82136	103871	600	66702	62833	53789	48278	51361	34283	24087	38120	72197	30554	44053	0	33298	55298	Phytochemical	0.3809524	0.85714287	0.0
20	C18 H22 O8 S1	399.1108	399.11127	0.002890381	399.1108	26740	13331	17694	10082	20338	24192	3987	7035	21620	50165	17540	4189	23955	6057	6186	6916	7308	26295	36428	34152	25475	31223	7564	21266	8951	17053	2976	15776	4705	4468	4776	8815	18098	6684	46644	7067	7238	3884	6403	36482	12125	7676	0	0	0	14518	9778	0	4994	3656	16606	13825	9325	0	16691	9327	13108	19958	16722	4461	6161	25681	12305	6369	6123	18240	8608	8251	17787	36290	14464	7102	5410	4639	4762	15906	0	4698	8823	10176	4384	9171	10766	19101	9962	11790	11392	8404	10393	8279	30529	31167	16396	26197	30538	0	14248	11974	10070	11279	7996	8666	10492	13576	15932	7110	12481	0	5029	26469	Organosulfur	0.44444445	1.2222222	0.0
14	C18 H22 O10	399.12857	399.1291	-0.09523349	399.12854	569594	536810	536180	1129912	915594	425176	301224	990846	1577740	1264287	602403	601846	1767298	248964	913520	389723	280438	1777292	763339	1071321	2186206	907146	962080	453759	274343	308610	485180	453171	436959	799000	810150	461891	575372	377532	3408650	414453	1069136	788416	560276	1524826	490965	720232	10185	1933	954	551315	472559	1341	426438	842158	509418	517280	883270	1591	2479402	457635	563170	972762	636979	311427	560412	1175506	1792850	1577726	487102	1200076	781090	265590	468842	659979	524361	448862	832352	452750	543020	822866	928	767586	397625	379852	379088	366856	304686	355650	873474	315683	665874	603158	723534	293462	354985	519813	992528	501759	601990	3381	569509	545272	451792	721864	333511	475192	674910	577532	459555	765740	386639	1356	255156	1766338	Phytochemical	0.5555556	1.2222222	0.0
10	C18 H22 O10	399.12857	399.1291	-0.15575647	399.1285	422628	405262	386728	369026	284868	219452	229460	373754	416344	838710	488162	289072	432322	79767	271114	394328	307392	461362	475084	615334	713334	500488	367002	400126	78182	115569	239054	155711	169694	321202	316316	335228	379110	296126	972722	325698	187289	285380	354520	445592	254791	238010	4156	746	405	366320	415414	0	322774	358702	390912	414532	251562	977	576078	292560	95027	366808	358704	336384	205098	355204	481458	418444	182352	365494	269686	179754	194830	189011	479642	343098	330836	317088	132507	298508	0	120808	386298	127574	347034	287846	244662	206072	351926	208172	297762	215878	126732	285628	104322	302598	385480	354296	428170	1796	393732	436796	317178	296956	143284	378904	258080	427922	175101	314300	286270	651	204832	507250	Phytochemical	0.5555556	1.2222222	0.0
8	C18 H22 O10	399.12857	399.1292	-0.16153994	399.1285	154526	91924	131618	84763	49654	43328	44191	148068	156036	252400	181104	66243	167744	27062	120184	143370	148942	146230	98121	226932	251744	184814	143822	90126	26047	36523	46669	41352	126492	136210	123768	136876	68566	61253	304714	118124	137704	122160	153408	159422	203056	89890	1184	307	501	74997	207394	0	150408	65147	158078	150358	99896	421	185610	118208	79456	67826	67904	163454	83271	119462	190086	157868	41638	69069	103188	166882	75561	60109	92524	136964	140502	122394	54476	68015	347	51407	163702	44297	130808	93032	48950	42565	141062	40299	58733	45016	47668	148406	35585	57944	145328	69389	70025	635	160336	169254	66175	137398	66718	151298	105012	99798	47529	122648	67114	327	44552	193838	Phytochemical	0.5555556	1.2222222	0.0
6	C18 H22 O10	399.12857	399.12903	-0.14269596	399.1285	45364	23818	39768	47270	14441	12726	10179	47126	26146	31661	44958	17784	26485	7734	35872	29099	25940	25863	54042	40744	36469	40216	22685	50076	6056	8263	22798	9882	34854	24067	19179	22112	42474	33782	35412	20897	21037	37794	60030	16225	25308	14222	0	0	0	16568	23051	0	53270	43274	41126	22112	28138	249	28719	43058	28312	41272	35862	53584	26713	10461	28483	49704	12220	22222	16731	31455	14528	16348	25146	35702	36108	20945	20210	36834	280	30638	22756	6906	20490	12597	19596	7787	27544	15668	32158	14629	30928	43154	5350	28148	23387	20045	17406	0	20394	25950	33946	24470	24437	53308	31178	53358	11504	22370	21304	0	23200	51276	Phytochemical	0.5555556	1.2222222	0.0
12	C18 H22 O10	399.12857	399.1291	-0.10367343	399.12854	774954	817578	845050	806606	586944	512160	252139	750592	909980	1723186	510500	446058	868656	135009	603890	698084	528774	1052722	1072214	1443378	1430698	1219974	710314	743870	177882	229742	218992	363460	645246	285562	637704	316839	809688	596644	2298762	296675	730146	283811	551426	1025368	510942	235803	7997	1065	911	732588	414177	883	327866	667528	836096	814304	548548	1198	1415072	597814	396156	660622	386726	309193	420092	807994	1130728	973284	325058	756476	261959	287628	450060	443190	976608	334193	330995	666544	242207	594516	582	570922	653294	300882	617058	556224	456496	477310	586682	426964	569544	393690	257968	279091	234974	740470	706498	413942	867860	2652	864742	924072	691202	496418	487034	746342	249416	390342	369598	593404	557044	1007	399562	601813	Phytochemical	0.5555556	1.2222222	0.0
22	C18 H22 O10	399.12857	399.12903	-0.079396844	399.12854	19109	20584	20147	21537	17718	15627	9040	20473	24892	30741	9752	13754	27175	7133	19442	16951	9879	30021	20761	25553	32385	21083	18202	22442	14704	10178	5910	7076	20732	15343	18822	14470	24852	20761	27167	18372	23274	18952	10287	21841	19323	11775	0	0	1005	22461	25050	0	22400	21069	18452	21441	18677	1421	38153	15149	9415	18892	18198	10921	16525	22482	24565	22945	12918	19529	13405	10274	12384	23561	18070	19645	18150	19558	9573	19228	1408	17736	19390	11615	19053	22248	10323	12849	22621	13827	14368	9556	15701	7866	14939	10516	24419	9958	17457	0	14996	22138	14052	12320	12763	14020	17400	19208	18824	16029	12132	0	14503	34654	Phytochemical	0.5555556	1.2222222	0.0
18	C18 H22 O10	399.12857	399.129	-0.14940785	399.1285	218053	189986	195672	187767	185705	175730	110985	210090	246049	321889	140782	112383	390147	95219	191946	140817	78539	354069	312342	331718	291551	220979	177861	176982	122330	104793	96621	102291	184199	154436	173060	188920	216412	156979	359875	172424	232548	143647	96377	254405	145024	120689	7059	1367	1101	215332	159997	1225	180312	165380	202329	200011	173440	1440	425925	169506	112358	173724	196234	84065	161998	178288	342150	290113	86620	238275	148788	96101	142579	247275	174455	190610	159259	177435	103085	166876	1313	149943	156019	101056	145304	148293	105861	110749	171868	119356	124005	95600	142964	71634	133143	204753	194067	116808	157762	2660	201996	198984	161165	119614	112055	167115	117253	177634	119740	142731	138076	1351	107687	347649	Phytochemical	0.5555556	1.2222222	0.0
4	C17 H22 O9 N2	399.1398	399.14044	-0.22272204	399.1397	20496	21143	18321	18174	12263	11084	7922	17698	17003	12339	15079	14306	25944	6548	11507	19767	26577	21913	23243	16179	17441	30399	16179	23569	5774	1095	9963	0	12714	12524	14771	16420	19944	15369	20618	17110	22090	12307	36300	14086	21328	14568	0	0	0	13748	22594	0	17218	18596	19316	18234	13595	0	20809	15232	10674	18265	13581	20182	16021	11088	32247	19394	12832	17221	14385	34296	5417	4183	5752	13765	12224	15567	7393	11602	0	10871	11360	7554	12730	7411	7901	4559	20224	10348	11955	15224	18271	27238	11021	15380	28690	12033	12294	0	20174	20323	14564	20851	19210	22063	12687	24500	10762	20368	13838	0	7010	34649	Phytochemical	0.5294118	1.2941177	0.11764706
2	C17 H22 O9 N2	399.1398	399.14047	-0.24208865	399.1397	9466	7522	8306	8316	10269	0	4410	8757	13220	5632	5879	9105	19952	3705	5232	1221	8117	15138	13145	4920	11790	14341	8226	8795	1421	0	0	1528	7892	5362	10067	10154	16160	7175	10813	7394	10719	6028	9339	6591	8546	9775	0	0	0	3236	5449	0	8259	5895	9292	10416	10283	0	15020	7869	4910	9139	5783	6502	2595	3294	25003	14253	5885	16468	11966	13994	0	1620	1736	7362	7922	7079	715	8811	0	6355	6588	0	5503	1842	2820	1469	10913	5229	5964	12676	10322	15915	3646	10351	17570	5863	1047	0	9057	7538	7488	10619	10232	9214	7481	6089	4153	13634	6791	0	4064	25333	Phytochemical	0.5294118	1.2941177	0.11764706
10	C17 H22 O9 N2	399.1398	399.14032	-0.19170544	399.13974	166502	163028	134286	128656	77146	75582	96654	182070	119072	141538	83639	127837	128036	36910	145146	173221	134336	158018	175350	151909	166999	220099	157555	187098	83150	14400	97620	52921	160592	154249	151157	173052	205784	137794	188889	166636	210508	117269	142995	173238	139501	94757	1243	0	0	134086	132170	0	167103	162540	143979	151518	97172	0	180866	69833	70510	177809	205821	121253	202406	110471	128584	131455	72452	121896	110958	158430	36250	45521	49103	172424	153092	153047	109957	138525	0	119911	121183	63874	114344	88717	90821	54262	88670	77573	109418	105366	123152	163968	102374	160785	269201	105550	112808	524	148766	150812	65402	65843	61789	198398	125283	192468	111484	170849	77250	0	87504	188618	Phytochemical	0.5294118	1.2941177	0.11764706
16	C17 H22 O9 N2	399.1398	399.1403	-0.10356798	399.13977	59822	44938	47764	44894	35238	37124	46578	80506	48612	33106	18914	56536	42160	15710	67750	53664	46798	80416	62668	48784	40932	63442	59060	65584	43416	15508	39386	12350	70998	53280	68770	70444	85610	55744	40220	60768	86918	54582	38168	43148	23306	35814	952	0	0	32600	30974	0	69604	61524	48190	49832	49218	0	45036	21548	32710	54222	70278	31146	67994	28990	47022	51310	26210	50272	54158	43600	0	19700	11163	64318	69580	59442	59529	43554	0	46656	54458	30420	38870	25430	32222	20416	27940	37028	53268	32380	45076	59674	46420	81986	110518	31004	28130	0	55992	56700	18516	26418	23140	84900	46382	49246	19902	76002	22222	0	46566	79564	Phytochemical	0.5294118	1.2941177	0.11764706
6	C17 H22 O9 N2	399.1398	399.1404	-0.19082427	399.13974	63868	75295	60038	68759	38315	33327	35109	79115	56375	60403	45522	59458	66803	16343	53871	79168	85036	71048	85775	55082	81411	96012	55379	86261	26950	5093	36552	22676	57750	60773	70363	69224	87991	61705	73763	64496	84354	49695	105462	49994	84499	50656	0	0	0	57189	79996	0	79821	70595	70157	72095	44337	0	71618	39262	34042	77897	57323	78703	82589	43868	78052	66291	36439	60162	52575	117558	14743	13158	18328	61380	65634	61526	41243	57774	0	46248	47072	28433	41555	30166	33326	20826	46791	37171	46029	60845	58599	101416	36657	60078	119174	48659	51814	0	72778	66313	27294	37551	38548	92638	56246	90099	43563	83804	34782	0	38127	97029	Phytochemical	0.5294118	1.2941177	0.11764706
8	C17 H22 O9 N2	399.1398	399.14038	-0.1833546	399.13974	122617	128629	103792	124412	66250	58067	72406	139672	86200	106077	83494	110944	108710	24988	109171	147541	139835	115247	132162	134707	141174	188938	129803	150261	52957	8817	73844	45571	121016	112136	123259	139178	158686	115616	144195	121675	151893	94407	153966	129975	144227	90019	1010	0	0	111333	140654	0	151260	125576	118176	130757	72109	268	137020	60167	65256	130120	132203	125194	149277	93267	132436	120795	66111	96487	81535	163743	28269	28962	40630	143065	120672	112405	93616	114042	0	93312	100407	46629	87863	68398	64947	42182	70019	52498	86622	99539	105798	159465	67677	123456	197330	93573	95339	0	125164	118987	65471	59173	58216	158025	103153	155725	83519	147010	64008	0	68810	145559	Phytochemical	0.5294118	1.2941177	0.11764706
14	C17 H22 O9 N2	399.1398	399.1403	-0.18711181	399.13974	62909	66740	65666	68113	36003	49064	47914	89226	49569	54964	37509	54039	64262	19334	90508	67665	56029	76615	74751	54766	57823	107084	72725	84199	61084	10825	38517	25647	75139	67828	65402	74657	98835	65300	76921	80364	92003	70675	55282	69159	40789	50566	0	0	0	53700	42309	0	75276	72058	67710	62709	48678	308	79233	30613	36833	86391	110335	46068	90012	59764	57000	61016	33933	56549	47966	59410	18702	20336	18313	83625	62385	77941	50064	58802	0	63690	56236	34658	46958	32683	45917	29171	39056	38567	55846	50137	63614	78007	53868	100603	132272	41270	38355	0	60567	74376	28014	30191	30289	89864	57917	92733	51473	92332	35027	0	45247	87254	Phytochemical	0.5294118	1.2941177	0.11764706
12	C22 H22 O7	399.14383	399.14432	-0.23781125	399.14374	62387	51664	50968	60546	28485	19810	50157	54205	35559	70063	60646	33501	20692	18967	35427	61142	43778	24183	31840	89727	71181	65593	36237	63510	23440	99881	40794	40923	35972	43398	41643	45302	40362	35841	93978	38117	42632	36460	55012	60804	79327	24001	1818	678	806	55454	81326	994	47117	62442	57350	62818	24242	629	31674	30112	22052	55880	50421	53776	51520	37654	37293	26680	19364	26320	26369	59947	104323	104240	131913	39558	38174	45169	44745	51207	888	30955	52731	25063	40970	46116	35007	39255	30904	22663	48224	21397	23488	85474	39385	46219	42257	34268	52230	1100	57742	57971	45812	31428	29615	48907	31696	48406	53250	39087	30245	567	42940	33604	Phytochemical	0.3181818	1.0	0.0
24	C22 H22 O7	399.14383	399.1442	-0.18566565	399.14377	75793	65600	61588	68152	76701	52801	17002	38090	80052	153113	108949	25501	115781	46736	34202	36721	22118	86791	98005	144786	156960	76635	39989	39901	26833	217166	14781	94244	26013	21205	26556	27661	38815	27701	182996	27191	42187	24440	28682	102817	101159	30327	6722	0	0	77386	85521	0	32676	29566	72109	63298	55883	0	76064	69366	33596	37158	30528	25175	39411	77596	104431	64276	26026	89569	49125	26479	225592	248163	294415	31005	25385	13935	17276	22432	0	26818	63238	57525	50990	55904	29498	82041	97246	41843	45836	33115	34292	36503	37317	40070	53034	77611	93894	3066	70129	56023	71157	79130	73461	33298	22629	33161	51514	35164	68359	0	33578	89428	Phytochemical	0.3181818	1.0	0.0
14	C22 H22 O7	399.14383	399.1443	-0.19773883	399.14374	114365	124696	102960	113795	77249	50446	73778	102285	83694	183980	144624	77115	75482	44783	72209	95596	86830	76883	89634	185203	196218	108576	83873	117575	66649	257924	71458	130936	76168	86424	86497	88276	96121	69174	201802	89985	90735	72517	90300	129575	168438	52636	3751	854	975	116280	144134	984	97476	94248	108621	104240	65995	731	76030	67024	55467	116517	89390	82221	128257	93019	96061	70925	47143	81266	58982	89956	245131	268222	352479	81306	78727	83221	77271	90310	761	64578	111918	76822	95159	91637	86462	105518	92539	56365	97308	59926	66652	130632	81482	80692	102902	80354	103233	1851	118726	94223	77604	79104	72622	90772	67372	110692	121443	83952	70025	617	80353	74993	Phytochemical	0.3181818	1.0	0.0
28	C22 H22 O7	399.14383	399.14423	-0.20385359	399.14374	13268	12440	12635	12210	18826	8082	4985	6494	14185	29330	14527	4225	26788	9052	7781	9392	4417	18204	20695	24618	26379	16054	9572	9596	6899	37348	5091	18431	5301	5409	6179	5057	8611	5293	30655	6909	6783	6096	6518	13138	20114	6105	1282	0	0	13221	15647	0	6619	5924	12374	12194	12096	0	13937	11572	6005	8801	4362	4049	10082	11165	21650	10785	6612	20197	10268	6158	44712	48707	66574	4385	4219	4653	3484	5715	0	3507	12537	17894	10571	8399	5802	13067	19636	7353	12851	7107	7510	8466	9938	11543	12121	16585	22669	0	11911	13948	11684	16428	19271	7386	4389	8562	10067	5667	10230	0	8823	18094	Phytochemical	0.3181818	1.0	0.0
22	C22 H22 O7	399.14383	399.14423	-0.16200003	399.14377	165949	175910	151381	175326	165972	133053	58464	95141	202849	444222	285579	61591	202869	129699	97476	94403	68452	199092	172671	368529	408708	210579	109429	109917	110888	637804	53090	278748	80792	71152	69421	77334	90575	74832	479121	65101	105278	77259	64057	259248	246672	89810	7302	0	1819	202041	201453	3069	84252	78520	176255	158750	138818	2195	162824	155757	85403	112212	82604	61433	106167	199363	223465	134390	81251	177276	118933	70848	562896	753819	785940	82743	63864	54047	45569	69483	2000	61793	154800	136568	112237	131394	71665	183224	212504	119051	134156	100078	103278	78757	124675	128240	130711	171302	217911	2998	153698	159085	157203	165746	154731	100687	67591	110710	128342	97382	146710	0	93371	212879	Phytochemical	0.3181818	1.0	0.0
18	C22 H22 O7	399.14383	399.14426	-0.13429785	399.14377	303447	276281	262725	260256	242610	157316	124791	180240	202366	617906	439061	128173	309255	160574	154336	210609	142758	260216	315606	631328	586602	287352	177938	220342	145832	949473	112870	364739	176123	150884	158602	174452	201804	167581	612787	150160	194591	135744	152645	397948	396380	139833	8287	1425	1347	279025	275748	2209	196573	155631	256380	266955	193510	1774	238855	193962	129691	194913	158323	142461	185907	290549	319869	205433	121595	279264	181227	150538	758339	1021408	1213552	152186	146753	144528	122736	177883	1182	128218	229438	204435	209389	229434	146595	291785	248703	161627	207615	154383	155152	191615	203382	224589	226635	224685	302114	3275	262017	241639	211235	212407	214160	169703	123527	212942	156880	160578	178365	1670	157505	234450	Phytochemical	0.3181818	1.0	0.0
26	C22 H22 O7	399.14383	399.14423	-0.20191301	399.14374	29958	29070	24523	21331	37135	18788	5305	13993	35210	48336	33283	6724	56167	20566	13999	16809	11207	37735	41290	46779	61452	37956	15436	20835	13550	81700	5621	33998	8484	11228	12683	10005	12435	12700	78297	8363	17379	13726	11706	40010	48432	11542	0	0	0	25141	35987	0	11405	7518	29372	26495	23560	0	33236	34905	17574	17613	8886	9867	13365	28344	42653	27893	10633	38775	20476	14951	89521	103665	138399	10644	10299	0	8257	9156	0	7605	27655	30179	22662	19277	9697	25829	47037	17410	21227	16241	16520	16474	14432	16687	22675	31335	38645	0	28908	30400	26647	38055	37325	15088	9250	16550	17873	14149	22258	0	11376	44140	Phytochemical	0.3181818	1.0	0.0
20	C22 H22 O7	399.14383	399.14423	-0.15170886	399.14377	269452	287068	266710	246289	263513	180133	97471	161986	270343	694073	478368	103677	341558	185741	146536	175359	104376	305315	322899	669830	649518	302626	158676	186929	125625	1098542	97400	422138	140217	116134	125017	130478	170961	138936	730607	125820	190722	125758	113252	439745	410010	130456	10878	2771	1691	303060	315266	3763	148962	127864	259138	286908	192955	2482	239245	236840	133663	168426	144218	109360	165608	299402	335684	219823	121576	284717	174678	117429	878011	1158594	1315325	152024	135598	107112	105505	131898	1744	111934	226503	221018	174962	201092	124013	378481	295981	154815	193990	147836	156783	164152	211090	214244	226875	265466	311535	3957	257843	293425	233517	219283	240205	164219	112628	185851	211175	164502	198511	3553	129933	329433	Phytochemical	0.3181818	1.0	0.0
16	C22 H22 O7	399.14383	399.1443	-0.16482976	399.14377	174273	202820	178362	187936	151109	111631	101717	158692	166422	339632	245211	103881	160366	90086	133100	168556	110325	159531	184149	378831	355074	188718	136173	166066	109892	566627	100018	216949	127391	137144	135707	154590	155779	103217	375279	128557	137293	119908	142327	250163	262973	90980	4985	1417	1353	182819	218468	1832	152676	135270	195731	196531	124440	1461	148970	119812	87937	177815	131053	127277	162009	171257	186449	132122	74484	171015	107755	138588	472165	607021	705263	145919	127822	118787	109615	145383	966	101436	180365	151551	150141	164519	118346	207850	168485	97051	169470	94651	104793	184385	161391	152144	222634	149098	198557	2627	210377	183353	140592	141427	152899	137170	97008	151837	117917	158081	137774	1294	131259	185566	Phytochemical	0.3181818	1.0	0.0
22	C19 H26 O7 S1	399.1472	399.14767	0.015798528	399.14722	21584	20725	17623	16773	11647	16021	8470	12072	12249	37613	15114	14626	17046	7507	10291	13927	11651	19575	36778	34485	31285	37292	8533	12318	16216	18447	8327	20059	12488	7553	21090	12984	10819	14172	36798	12931	22669	10742	11956	24063	14493	8451	0	0	0	17784	14387	0	14044	16922	16342	17243	14438	0	16163	8824	11805	16181	21820	9986	16477	29323	13297	10735	8121	21977	11578	13613	13200	34892	22677	7665	7237	9162	9338	7653	0	8005	10936	11439	17718	15995	15936	18547	13736	7836	22802	13668	10271	14229	43512	59806	25494	23574	37415	0	19178	17782	9755	10631	13187	15512	8498	20960	16043	16037	12553	0	9842	24762	Organosulfur	0.36842105	1.3684211	0.0
24	C19 H26 O7 S1	399.1472	399.14755	-0.07729752	399.14716	14904	10868	6708	20386	3990	10258	4607	8767	10580	13381	4778	4104	6706	4170	6182	8775	10406	12620	9074	13155	15094	14815	4917	5785	4556	8382	3178	4761	9114	6357	4168	6484	6622	5957	10879	9612	7744	4541	10532	10551	5250	6035	0	0	0	7322	4735	0	7991	5401	6977	7318	6605	0	8150	3536	4058	11061	8867	4172	9281	6323	3313	7018	2666	6794	5805	6282	7650	15985	7491	6470	6815	5898	13814	4544	0	4141	12358	4999	3870	6344	10022	10892	4684	0	7742	5809	6553	13647	19101	23178	13628	8097	15886	0	8844	10013	4205	4636	4305	8487	4710	9206	6616	6790	5651	0	7131	12531	Organosulfur	0.36842105	1.3684211	0.0
14	C21 H22 O6 N2	399.15506	399.15564	0.032170303	399.1551	61160	64798	42314	54512	47233	24122	36784	45730	25776	104758	103208	33264	35935	34982	40273	48060	47568	76220	46284	118636	148200	100886	40806	55126	46105	170660	37202	88140	59166	36650	38798	36820	63074	43706	124396	43296	64582	34690	71654	121728	164960	31414	0	0	0	79570	99032	0	60364	30796	40902	54040	38728	0	32152	30450	19720	63008	24462	47128	55146	82466	44880	25118	17146	39882	40278	79377	125906	199326	218660	49165	35460	25352	34864	35935	0	28786	55556	60320	45244	49020	31212	83624	30594	25676	59728	35594	38402	70422	82464	43706	102094	86958	105452	0	48836	67304	25128	30470	31206	61245	39241	57744	46308	81407	27546	0	58933	43874	Phytochemical	0.2857143	1.0476191	0.0952381
8	C21 H22 O6 N2	399.15506	399.1556	-0.21747136	399.15497	16931	24837	16874	16469	10596	9377	6681	14852	8091	50770	30348	6925	13476	9145	8700	20314	16021	10775	13710	53630	57396	30394	9657	22537	9866	43858	11317	24208	11312	11442	13456	14909	14749	11869	49922	10786	15142	11556	20847	37474	39473	11759	0	0	0	32333	40207	0	15210	14915	18308	21892	9258	0	8965	9594	6610	15889	4438	13477	13731	22410	11725	8063	4894	12092	10985	20855	44415	67961	74559	12463	10179	8561	12627	15550	0	8650	15883	24527	10453	11853	6857	28838	7393	4257	15324	9904	10764	28742	16536	15080	22964	28762	43218	0	22313	16556	8783	10377	11718	17257	6524	15898	7204	16495	6658	0	9847	9192	Phytochemical	0.2857143	1.0476191	0.0952381
6	C21 H22 O6 N2	399.15506	399.15564	-0.23425257	399.15497	9376	8304	9055	10884	5451	4935	4982	6521	6664	24744	13014	3981	7210	4299	5519	11775	6104	8277	7850	27619	29013	12496	5484	12160	5058	23590	4173	8850	6118	4574	4699	5502	8790	6046	26553	5807	7960	5308	8220	16770	21989	4256	0	0	0	15809	15875	0	7485	5202	10354	9975	5482	0	5166	4174	3238	9550	1736	6326	7695	9440	6738	3322	2360	7465	4744	9625	22922	33546	39315	6680	4530	4425	5062	5967	0	4962	7330	11753	5211	4863	3751	13236	4941	3457	7297	4085	4914	13846	8453	9035	12909	15059	23822	0	14479	11698	4123	5946	4486	8645	4966	8637	9820	7216	4109	0	5738	7047	Phytochemical	0.2857143	1.0476191	0.0952381
16	C19 H26 O9	399.16495	399.1654	-0.18613692	399.1649	601712	635708	658915	636498	413220	449925	407044	1448804	640050	1236894	483235	374075	757065	252011	1368794	595114	311126	805450	820921	1176912	949676	669970	1238246	1436522	1044704	393915	304250	417580	1459810	1278822	1380628	699918	1626212	1069872	1423197	1398168	1710908	1011954	349145	1561234	325360	434074	12064	2542	1688	1143840	300907	2571	1441406	1336988	630097	655358	470643	3866	1016549	415236	304891	1338718	1383606	275550	664329	453171	741637	661175	235411	561003	481285	313393	342251	827368	406357	1499874	1337460	1495764	359497	1274050	1259	1000656	554594	298370	445069	335296	496244	378019	403229	370364	461128	342746	474904	357327	529640	1562728	822674	335284	534509	6011	642369	667681	365614	327935	354510	700820	410451	703235	274091	608219	393171	2223	816868	781683	Lipid	0.47368422	1.3684211	0.0
10	C19 H26 O9	399.16495	399.1654	-0.26043266	399.16486	103509	190312	95222	188710	51583	96126	172440	284538	135976	110781	78936	155982	134606	27746	98018	263760	86770	80112	88464	261084	244322	109870	200976	284222	73190	71923	176008	61693	114233	114397	104652	228160	118620	100039	119580	227024	112221	173148	207254	179562	84904	107452	2718	0	0	112659	92990	0	222428	228262	91559	190804	50600	916	217134	60199	83700	235356	119778	92239	137208	66850	144242	134144	39486	125876	51306	112381	80192	165554	86073	108098	92945	131011	168766	97941	0	82904	220086	46703	197466	71350	91925	101276	69320	91994	196166	48203	57179	191020	63635	95373	126577	119828	82345	1666	194566	217728	94470	55953	63265	111695	75358	125648	73898	97657	111172	0	160364	78436	Lipid	0.47368422	1.3684211	0.0
22	C19 H26 O9	399.16495	399.16537	-0.14901577	399.1649	57960	46325	54781	55345	37225	44553	30514	67621	56246	111419	33350	32829	72661	22960	62818	48608	31486	85021	77574	76981	78024	65165	58429	68623	48014	32983	25382	23608	63437	56981	61960	58819	66110	54083	97376	55572	74412	48856	23490	67673	25823	33846	0	0	990	46906	29273	0	60146	57522	55139	53765	43454	932	99345	49769	30636	58544	51542	17851	56592	43695	71814	66983	25198	61189	40617	26260	26566	78883	40367	67494	59295	58256	29441	58269	754	46499	53486	15639	47199	27717	35545	28438	47470	35280	35806	26032	36983	22810	51279	74292	59413	29729	43426	0	51341	47133	36527	37587	36726	57365	41982	54821	27441	50580	28323	0	36607	99504	Lipid	0.47368422	1.3684211	0.0
24	C19 H26 O9	399.16495	399.16537	-0.084921725	399.16492	17311	14016	17013	14609	10811	8815	7287	20724	13440	31021	7011	10641	21974	6099	15848	14104	6428	24747	24387	24275	24993	15135	13135	16875	10491	6334	6481	8269	17541	12973	16618	18107	20185	16389	29927	15959	20214	13840	11050	16245	8578	9149	0	0	0	13060	11536	0	18517	11804	16013	13007	8904	0	27102	11840	6379	21761	12779	6941	16800	10163	25142	19256	4750	18901	12816	6320	8223	19316	12125	18528	16515	18600	7135	14524	0	11177	13369	7531	11895	8059	10183	8063	10413	4766	10429	6714	11880	6882	16727	12893	16538	6312	12078	0	17243	15437	9458	13668	8098	15608	10299	16521	9066	14621	7159	0	8680	21432	Lipid	0.47368422	1.3684211	0.0
6	C19 H26 O9	399.16495	399.16544	-0.2258364	399.16486	10563	13444	19510	21334	4368	5169	8978	28372	5546	23236	16460	9833	6057	4125	10741	15088	24058	6389	10231	21750	23886	23016	10862	14044	10674	6229	16568	5410	13382	26870	24196	12185	26518	8858	23476	14756	24246	19190	17545	5084	9563	12830	0	301	0	11224	13450	0	13004	25012	20750	12162	4701	297	9969	13110	7666	25762	28598	11347	16703	6766	7542	6998	4927	12248	7531	20806	7150	8445	7980	10245	26226	15845	13778	25346	0	9586	20764	3566	19672	7341	20304	5920	11255	6079	8971	9780	13002	25270	0	11178	27982	14922	8271	313	11537	11486	5637	13096	8431	12762	19994	17239	0	18322	6245	0	17966	15208	Lipid	0.47368422	1.3684211	0.0
8	C19 H26 O9	399.16495	399.16547	-0.2683043	399.16486	271280	310704	119124	308576	60264	121934	125852	213452	171340	327072	96188	244784	94956	44688	135537	369384	289952	173016	216640	195804	171372	319088	292092	202735	191800	171142	237882	98608	174920	198362	298144	178168	141580	257508	178244	189041	327388	131962	175897	99044	131828	161768	3592	0	1348	363032	288056	0	339278	338898	141632	275880	122354	936	320108	86616	64838	282248	295240	290672	455184	89824	130136	222278	58912	89492	69108	173512	105300	191104	159884	168784	295992	179364	249828	174917	0	230514	182642	68900	249958	105788	132530	177656	104344	65112	272802	105856	165774	275336	53028	123612	335816	175296	255784	2372	148376	334704	144176	103040	101380	343824	210112	402720	105972	122700	83320	0	122405	108716	Lipid	0.47368422	1.3684211	0.0
12	C18 H26 O8 N2	399.17618	399.17667	-0.24992844	399.1761	84872	80797	87900	84692	30499	45577	85715	137835	49670	76666	30773	52303	43439	18542	104323	86484	55163	68705	78688	109475	73808	140272	86705	117413	87049	10844	53440	34368	116760	91172	109145	98071	134543	98070	101627	100276	122967	84610	61177	92637	55899	49864	648	0	0	97872	42889	0	115956	105000	87146	78872	45953	0	83220	27365	34074	113744	152873	48337	83245	57239	47765	46128	28020	56952	51369	60152	17986	36673	18923	112249	87102	108192	0	76756	0	84215	56149	23003	55352	48782	79381	32733	32704	39635	68734	44884	51895	88401	103114	166808	161176	50708	69275	477	97560	95087	27134	25995	30544	123662	61822	112403	42704	104010	33365	0	71047	69244	Lipid	0.44444445	1.4444444	0.11111111
26	C23 H26 O6	399.1802	399.18063	-0.14560536	399.18015	70552	66921	66466	59682	75009	50369	19668	56009	66900	102098	94178	30574	111865	45342	39826	45680	42734	79762	104145	145538	141887	70724	47710	63794	42907	205063	20700	96513	49643	45111	42980	39740	52077	43862	139235	48698	66694	32573	38487	98940	108799	43187	5123	0	0	74977	64616	0	46701	40910	68167	61079	58002	0	74138	73016	37190	58724	41245	30117	61224	60623	83339	55075	31089	88528	55712	43587	234811	229651	281306	44150	41126	44745	34555	41816	0	36210	64294	51515	56499	46378	35474	68667	77578	34207	64823	45506	50177	43761	52831	55356	74145	56635	74610	0	70209	69540	51125	86564	94426	51774	29494	59790	45668	43247	53674	0	40033	76547	Phytochemical	0.26086956	1.1304348	0.0
22	C23 H26 O6	399.1802	399.1806	-0.16500741	399.18015	515125	509435	439983	478334	448324	325609	196201	409418	429635	915110	733700	223863	446392	315651	288797	405475	308898	468723	450025	1068580	1068376	480267	336199	433319	311877	1837176	197137	681477	353839	305194	319531	337886	435732	360800	995102	329815	456237	262038	322721	683424	649901	280841	14595	4251	3453	445664	435915	4337	350842	327751	483492	481318	370958	3451	401139	359355	254655	395137	289225	252488	409479	474950	472608	347564	197487	469997	332525	327410	1519590	1978420	2155486	360987	300997	286764	225222	331807	3259	252219	409328	320658	358210	295523	276172	505031	428553	286093	415769	309237	303529	363507	392237	424819	513112	405063	511883	5105	452272	465970	343416	390027	358979	442115	237675	430661	293441	366911	334906	5457	295789	467564	Phytochemical	0.26086956	1.1304348	0.0
12	C23 H26 O6	399.1802	399.18063	-0.30031368	399.18008	42669	44268	36488	38437	14020	14559	36074	38505	19982	23383	34111	28040	13693	12578	27927	49461	41442	14537	22935	41764	35286	46788	25698	43859	26451	41084	37664	25437	28081	39155	32034	34943	28371	21558	36884	28288	25833	25083	48890	28523	43221	15615	1774	823	0	31258	54973	969	33357	43065	37858	41438	17167	699	22472	18359	15322	46147	32142	56263	24373	21299	19863	19864	11664	18434	19626	50395	67398	43103	63101	25251	28545	39478	49982	37549	0	29321	35078	0	39210	28259	33498	22505	21458	15197	33108	11277	17792	70950	34269	39431	42551	25164	33896	1404	44015	42576	21335	23842	22477	37462	22305	44439	0	34336	17495	989	33142	17963	Phytochemical	0.26086956	1.1304348	0.0
28	C23 H26 O6	399.1802	399.18057	-0.2081244	399.18015	21481	19513	22062	20749	25920	13455	10061	17423	19607	30974	24792	11571	33351	15676	11500	18909	12870	20431	27405	37174	35852	19338	15027	21575	10611	58242	10525	30115	18588	16569	13197	14448	19425	12450	38618	15900	20502	10264	14544	25983	32956	13086	2506	0	0	17565	18150	1966	15275	17091	23593	19805	17294	0	23546	21318	10338	20554	8744	10187	19974	13969	23929	16751	10828	28549	19411	14546	64410	59795	92052	14854	12361	13493	9801	12036	0	10115	19853	14513	15655	10193	11683	20810	30190	12701	19985	12880	15032	17021	17894	20896	21693	17057	16847	1618	21760	19149	15188	30131	36195	19720	11866	18233	13145	14195	15722	1578	10561	21216	Phytochemical	0.26086956	1.1304348	0.0
24	C23 H26 O6	399.1802	399.18057	-0.17852391	399.18015	243901	239382	226788	238643	238541	171507	84688	163661	207628	447479	375116	94866	312718	163186	135459	184480	125589	255386	301926	540374	542174	232720	159467	202059	128144	874183	79451	365168	154235	136784	134771	157328	179174	139820	528809	165332	205218	110204	129289	360385	344925	126026	11578	3284	0	247408	224711	3881	163573	133733	230168	231673	171509	5568	213984	175886	118721	184147	151167	103245	193885	264437	239714	186508	94596	261367	187265	138309	790529	879085	980908	164887	131193	125218	88963	139564	0	110723	194402	156843	158088	159563	118625	280366	227537	149608	192919	137678	154919	166579	174958	197391	247441	220708	257295	2941	232868	233912	163377	200143	213539	186647	98151	211992	155492	178681	177417	3772	124051	268165	Phytochemical	0.26086956	1.1304348	0.0
20	C23 H26 O6	399.1802	399.1806	-0.16109145	399.18015	541957	568425	515764	463393	506788	331714	270432	444873	447372	861507	656236	289888	509200	318395	360956	502687	355587	475186	552031	1049422	1084923	483621	365077	477119	327378	1884412	280910	607040	396519	365317	353687	415424	484831	375891	919652	387474	476622	306545	382201	709252	786166	308398	13873	4510	1367	445710	455570	4616	433295	370788	525765	543520	376256	3549	395111	378044	286702	468848	346385	327037	466571	455172	496699	380394	233687	475275	356121	414920	1486695	1945962	2436835	392989	365575	360418	355506	384917	1601	307642	518552	389636	391492	293818	345517	555771	481254	288061	476682	345460	334178	479415	460792	442329	589221	401637	464446	5525	539856	514421	382476	435944	417977	438157	291256	528103	315989	397829	380863	4139	342702	517303	Phytochemical	0.26086956	1.1304348	0.0
18	C16 H30 O11	399.1861	399.18628	0.05430503	399.1861	55664	64025	70573	70164	25892	45320	39556	74488	28443	64796	76256	30048	21970	26576	47360	75640	56116	51973	41404	114582	105664	82692	47789	75280	49700	116740	49912	109880	68556	46868	64112	51248	85284	64044	88208	50616	97564	40444	79616	134088	115664	30768	2460	4117	1409	66975	74416	4084	64724	47136	66536	57684	44028	1425	36052	23960	27828	97415	35436	54872	69048	66428	22852	19196	20528	35276	43155	93288	89731	141540	151189	71366	45676	35412	42601	56832	1765	32240	53048	66024	42316	50256	34348	69020	19224	22070	46400	54039	32916	96500	122680	100220	101204	72960	87844	4682	55068	46780	18076	14184	18492	73136	32320	78747	26890	66897	28816	3708	57276	25380	Unclassified	0.6875	1.875	0.0
6	C17 H26 O7 N4	399.18744	399.188	-0.27972522	399.18732	8255	9759	7441	7081	2793	3488	4310	8300	4355	3042	1259	4738	4697	1540	9756	11636	5580	6464	7693	1736	3995	8217	5964	10419	6799	0	4129	11853	6166	3666	7935	7676	9344	7373	4291	7963	8810	7828	10187	3591	2274	3752	0	0	0	4379	2418	0	9471	6302	8587	7220	3240	0	5171	1701	4171	7280	7122	1737	8924	1591	5453	2575	1891	6281	3932	8175	0	0	0	7270	7190	7393	4243	6975	0	4900	5807	6503	4243	1430	3961	0	3180	3212	8909	4028	4180	13283	27543	22617	22084	3143	2775	0	7778	5144	1531	1715	2030	8409	4852	4704	0	9019	3202	0	6060	6847	Peptide	0.4117647	1.5294118	0.23529412
2	C17 H26 O7 N4	399.18744	399.18805	-0.2856212	399.18732	9978	9229	8174	7313	5691	0	4876	9196	4920	2637	5059	5412	7544	2515	6824	2087	8148	7575	7344	2936	3839	8713	6809	6130	3865	0	0	13507	9783	3630	8766	7697	12429	6890	4619	8587	9474	6675	11478	1717	1649	6438	0	0	0	2399	2243	0	8799	5315	8339	8772	4712	0	6658	2630	2401	10564	3382	2341	3783	1070	6675	7107	3870	8558	6959	14104	0	626	723	6495	8135	6188	768	5233	0	6351	6544	46906	4818	2246	2260	688	3601	4339	8549	7354	7182	24587	54486	34258	20231	8078	729	0	8359	8384	3119	3077	2962	6296	6106	4389	1003	11604	4765	0	6917	9857	Peptide	0.4117647	1.5294118	0.23529412
0	C17 H26 O7 N4	399.18744	399.18802	-0.33107585	399.1873	2580	2355	2514	2036	1423	0	0	4071	2282	0	1931	2458	1912	0	1643	0	2971	2752	1990	0	1825	2137	2575	3716	1453	0	0	7317	3311	0	0	4308	5204	2864	1114	2556	5095	1756	2208	0	0	3960	0	0	0	0	0	0	4246	1930	3130	2871	2095	0	2196	718	0	3939	918	907	0	0	0	1462	1060	2314	2647	4448	0	0	0	3188	2054	3190	0	3315	0	2964	1462	21959	1335	0	0	0	978	0	1341	2737	3509	4329	21163	6563	7541	4611	0	0	2535	2881	1049	462	0	2215	0	1832	0	4368	1977	0	1721	2863	Peptide	0.4117647	1.5294118	0.23529412
8	C22 H26 O5 N2	399.19144	399.19196	-0.2648214	399.19135	13284	10627	10205	9918	3840	4645	4338	11841	3349	21420	13829	5724	1504	3676	7725	10250	7878	4326	5486	30491	22639	13403	5892	13646	8614	20444	6026	15627	8352	7038	7790	11303	10941	12295	21796	9946	9903	5227	12298	22011	15841	4593	0	0	0	13888	16962	0	13460	7228	7953	9143	4677	0	3199	1905	3103	10187	0	2673	11292	7651	1780	2684	2827	3019	3941	9080	13132	30643	29640	10909	9657	7263	8834	8138	0	4999	8805	9757	5114	2564	2371	16932	2349	0	6373	5681	4649	15448	22652	8918	17622	13063	27464	0	13480	12909	1129	1764	2285	11976	5320	9925	0	10879	0	0	7130	4053	Phytochemical	0.22727273	1.1818181	0.09090909
10	C22 H26 O5 N2	399.19144	399.19193	-0.28488627	399.19135	14034	15218	12408	11796	5460	5238	6119	12024	3437	30092	19472	7374	2505	6025	7492	14853	10384	3018	8754	38574	37218	15103	9278	16838	9642	34777	5425	22436	11719	12706	11820	12192	17910	12003	25933	9293	12353	5147	11173	28521	15187	5593	0	0	0	14985	17740	0	16111	12990	11280	11724	5962	0	2974	1364	2495	15461	0	4425	14616	10353	2761	2462	0	3681	5606	11477	23443	50397	36780	14355	9990	9576	11170	9096	0	6084	9963	14051	6790	1958	1883	19318	1769	1540	7871	7415	5991	19912	16765	9154	22338	19160	26572	0	12973	10409	2413	1198	2712	9096	6105	14235	0	17492	2020	0	9860	1696	Phytochemical	0.22727273	1.1818181	0.09090909
22	C27 H26 O3	399.19547	399.19614	-0.2058103	399.1954	21177	20664	11283	17136	10416	0	12687	21051	11421	35895	29271	13530	12140	0	10281	26406	16068	15393	13320	21837	22188	11322	8892	25524	10683	26076	16825	22293	2777	10866	17385	17169	23043	18552	18369	23583	22854	9090	20388	28461	35211	12432	0	0	0	19236	18282	0	19419	16593	20628	8169	10011	0	13524	13479	5235	24613	19704	13488	17394	17664	12462	8970	0	9942	12555	17728	14310	38941	32640	11535	11602	16109	19066	11988	0	11973	12576	20628	7506	12048	13758	25401	7242	7044	23802	13839	17355	31947	29559	34920	22491	17232	19755	0	16278	15210	6900	2123	10422	34962	10992	22843	14751	21134	3312	0	13407	14664	Phytochemical	0.11111111	0.962963	0.0
26	C20 H30 O8	399.20135	399.20157	-0.21513534	399.20126	5368	3754	4116	6115	3052	2868	4966	0	3751	2910	0	16180	6274	3188	0	0	0	8282	7264	6931	0	3765	0	0	0	0	9709	0	6881	7881	7373	9634	10244	9319	4919	6153	8850	3232	3428	3917	0	0	0	0	0	0	0	0	13195	0	6241	4705	0	0	5767	0	0	9146	3243	0	0	4000	7229	7875	2973	4607	3977	2617	0	6807	0	8003	8700	0	0	8888	0	15397	3448	0	2670	0	5378	0	0	0	4201	3249	6271	3234	9413	8698	7853	2724	0	0	3894	6770	0	5272	4576	6856	20941	0	0	0	0	0	3145	6878	Lipid	0.4	1.5	0.0
10	C20 H30 O8	399.20135	399.2018	-0.27935004	399.20123	10254	13781	11606	14852	5928	5771	14870	18472	5936	6310	5191	12178	5845	4562	13396	20449	15557	7087	7280	9924	8666	11293	13456	18093	14888	4276	17748	0	20229	18222	15941	20556	14230	15734	8516	21322	15308	12653	26026	5500	4666	6770	0	0	0	9916	9576	0	17993	14904	10616	13783	5688	0	9847	7478	7154	20787	13035	8877	21719	3153	9985	9074	8144	5694	6594	29862	0	4805	4764	15535	15506	18352	23783	17576	0	12796	15815	8535	13706	7067	13883	3312	10456	6120	19130	4489	6067	28615	8204	8640	20673	0	0	0	16387	16336	6229	8312	15906	19827	11010	13053	0	14661	7133	0	15027	7759	Lipid	0.4	1.5	0.0
24	C20 H30 O8	399.20135	399.2017	-0.22600393	399.20126	24948	21302	23926	21603	20328	22829	17836	28449	24008	39940	7483	11105	46700	15730	28458	24268	8304	47398	44144	39755	26476	32296	23330	28385	20688	3774	11342	12173	35204	28151	25756	29530	33301	23323	37546	36016	53973	16754	10395	22021	7102	14496	0	0	0	19593	7465	0	31731	23949	18336	25178	22346	0	53866	21932	12898	31119	29135	3808	25911	13794	40132	30143	10532	37129	22612	8463	6668	21500	6461	30246	31923	34893	12507	23735	0	22983	17038	4298	15578	11299	18857	7703	13081	14443	13686	13789	20142	17577	37696	46607	41345	8064	21150	0	24756	29502	11164	16511	13472	27845	16197	26613	12705	35945	14276	0	17236	42873	Lipid	0.4	1.5	0.0
10	C19 H30 O7 N2	399.2126	399.213	-0.25556725	399.21246	8622	8888	9821	7394	6024	3586	9037	15227	5022	5966	3754	4807	7346	2834	7529	14094	9858	4272	7652	5035	7016	15161	7676	13034	12461	0	6761	5428	13776	9889	10772	13529	15778	8410	11684	15959	16010	7035	10403	9578	4703	6294	0	0	0	8386	3032	0	11412	8580	8455	10020	5142	0	8340	3780	3076	18781	3250	3433	15056	2259	4768	4484	3069	3214	5893	10545	0	4236	0	11235	9362	10076	5832	10515	0	7851	8203	0	4391	4513	6110	2567	2411	3561	11756	4024	5876	21174	25024	20387	27372	2875	6047	0	9729	11019	1719	2333	2238	12745	6350	14279	0	12738	3617	0	8672	9678	Lipid	0.36842105	1.5789474	0.10526316
12	C19 H30 O7 N2	399.2126	399.21304	-0.25055444	399.21246	5087	10146	5768	8057	4750	4379	5934	11958	2670	2884	4560	5978	3921	2588	8472	9413	4840	5058	7315	3657	4405	9978	5807	10596	12198	0	6356	0	8530	7988	10149	7252	12084	8481	6280	10390	12732	7766	11871	4958	0	4579	337	0	0	4389	4042	0	10994	7913	6774	6560	3832	0	6390	2002	2526	12533	4656	0	0	3345	1893	1863	1713	6249	4655	8646	0	2020	2336	9449	8341	9201	4496	7089	0	8455	7339	0	5017	4652	4273	3841	1653	3773	10991	5357	5200	14517	25700	11829	25601	0	3361	0	6048	9844	3846	0	1345	11649	7692	6905	0	10643	2505	0	7095	5419	Lipid	0.36842105	1.5789474	0.10526316
14	C19 H30 O7 N2	399.2126	399.21304	-0.19290987	399.2125	5734	7244	9104	4832	2855	3770	6038	10447	3276	2518	2558	4866	3394	0	8700	14912	10178	4206	9716	6684	6240	8849	7629	14070	15537	0	4446	0	9439	11676	9710	9733	13163	7879	5027	11322	17314	10478	10871	5278	0	5496	0	0	0	5373	0	0	17615	8039	8076	6504	4897	0	7576	1302	2500	8010	7237	0	0	1890	1803	3741	2622	5000	5142	8923	0	0	1235	8299	6782	14473	11052	9478	0	6979	4600	0	5649	3698	7872	2333	4294	3759	7652	5973	7577	18716	26761	20115	22303	3783	4626	0	10052	7155	2410	0	2431	11913	7171	8922	0	15802	3924	0	8295	3469	Lipid	0.36842105	1.5789474	0.10526316
16	C19 H30 O7 N2	399.2126	399.213	-0.08084004	399.21255	15064	16774	13624	19290	5572	6226	15838	22672	8236	6874	3226	11214	6304	3486	19236	20698	17576	11436	14660	7096	9446	17188	12764	33184	25918	0	10380	0	18600	19098	21376	25682	24254	26898	4782	23282	17100	11282	9806	6872	3162	11374	0	0	0	11806	9662	0	21766	14396	10306	11834	9994	0	9490	2846	5224	26358	16720	7962	26062	5146	4776	5484	6990	8582	9584	13662	0	5160	3264	9374	11256	17720	14870	20512	0	12346	15958	0	7442	9626	14888	2888	0	5972	15710	8740	11598	0	47972	48806	0	6268	0	0	12242	15532	4168	4116	3090	25274	11194	11860	6916	24362	5486	0	14678	7422	Lipid	0.36842105	1.5789474	0.10526316
26	C24 H30 O5	399.2166	399.21704	-0.11991037	399.21655	193102	191160	177375	175715	202410	117093	84210	194233	163728	246182	302372	102782	221283	141745	136869	180794	150417	259051	274151	395113	386237	209946	133621	191437	149855	668178	84553	330918	176843	190274	162659	169484	217114	151229	359642	198359	253803	112053	134840	287825	253403	133914	12290	0	0	177460	152105	0	171111	155348	186572	189715	157669	0	187319	184914	99914	195488	155726	102961	205927	186744	165135	146224	98936	195269	180282	159760	610601	588489	604719	151477	152690	172689	101286	161417	0	120738	167684	205039	122091	132650	144828	217766	185244	115085	181154	127463	137779	168518	176704	192526	244594	193319	201920	0	188810	222686	133307	196280	200112	232567	102090	199559	141699	152937	155754	0	137395	164785	Phytochemical	0.20833333	1.25	0.0
14	C24 H30 O5	399.2166	399.21704	-0.29073784	399.2165	24733	18960	21252	31449	8274	7247	29141	23571	13866	14266	14854	21369	5042	8280	18425	32369	43331	5718	13897	12225	15179	19328	16508	29624	24756	21029	31638	8109	19045	25609	22426	27811	24491	8943	13982	23919	15985	26756	52849	10703	15307	9608	0	471	349	10086	14480	432	22885	20830	20536	20929	10968	480	10656	11254	18065	21928	21026	31939	26787	6376	9330	11793	10779	8917	10737	54988	18755	18197	33078	13407	15694	22979	35068	26835	302	17417	32407	0	30113	14182	25081	11680	18184	12313	37080	8056	10918	61564	17777	15885	33950	8602	12528	536	25633	20540	14119	21311	17621	21929	20964	23955	0	18134	15727	698	23971	7333	Phytochemical	0.20833333	1.25	0.0
24	C24 H30 O5	399.2166	399.21695	-0.16916928	399.21652	547330	548468	500891	521096	534888	342180	241245	456486	418323	700580	809882	271417	528688	322922	344096	525892	434957	506856	687057	1037244	1009768	456698	363254	510666	328671	1890315	238859	767337	437043	435680	394307	451965	522306	411751	832280	486383	593639	285996	441836	706897	755114	316368	14734	2305	0	426128	428096	5008	480333	385878	533287	507591	415847	0	481825	388449	269648	481350	369949	282226	526424	483165	433335	363096	206748	499581	430957	428438	1472310	1560822	1866845	397641	393902	401001	338247	428224	0	304386	453504	374148	363094	307099	339134	523427	488291	307952	451327	329172	406317	446903	446819	467684	608614	414306	500109	3692	526890	535667	336488	448953	461988	593339	259711	586660	328623	439115	381450	3223	341128	462865	Phytochemical	0.20833333	1.25	0.0
28	C24 H30 O5	399.2166	399.21698	-0.21813498	399.21652	33995	27089	28330	27620	34147	18143	19324	35061	26385	29795	33141	16155	38961	28691	21255	34331	27104	27979	47492	47228	38373	27896	25480	30989	24298	78161	18622	40307	34710	25439	30783	30680	35697	26706	42914	34665	28536	21066	31373	29443	34863	21368	3110	1680	0	26934	19515	2398	30269	28483	29535	28597	26217	3824	31280	29479	17273	38390	21256	15744	34580	20756	29129	22006	20469	40167	30766	30515	72082	68458	87957	20423	22915	25106	16889	24376	3348	16810	32318	55414	21457	21288	22629	26883	37746	15483	39079	19587	23640	36120	30610	30169	39812	33978	28347	2009	33223	31541	24446	46984	45767	41501	18257	31366	19032	31587	26986	1938	22454	27901	Phytochemical	0.20833333	1.25	0.0
12	C17 H34 O10	399.22247	399.223	-0.20833385	399.22238	100759	102081	90681	89523	3784	0	5879	0	5090	27174	270008	0	2769	4739	0	3420	0	1648	0	8564	2451	12164	0	8082	0	0	51378	215002	0	4070	0	0	0	0	4192	3468	0	0	0	69575	39381	2540	8921	1544	1890	43236	26648	2275	5300	4822	108488	105197	1483	2880	4098	1518	3874	7732	374925	0	148772	212685	11827	2603	6961	11398	13325	0	21210	13457	12296	4856	2832	3639	1480	4471	2387	1665	0	84729	2601	3697	3770	2417	0	2400	1479	6627	0	0	37051	23704	5442	37411	25989	1375	100327	43090	2876	0	2228	3949	0	35115	3874894	1965	0	2721	0	3825	Lipid	0.5882353	2.0	0.0
14	C17 H34 O10	399.22247	399.22318	-0.15500993	399.2224	40032	23149	38543	39445	0	0	0	0	0	0	61669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	72042	38375	0	0	455	345	61475	133685	0	0	0	28803	34084	0	289	0	0	0	0	185261	0	0	58790	0	0	0	0	0	0	0	0	0	0	0	0	0	0	433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	442	51072	19321	0	0	0	0	0	16855	4312360	0	0	440	0	0	Lipid	0.5882353	2.0	0.0
4	C18 H30 O6 N4	399.22382	399.22437	-0.26682183	399.2237	1707	1529	1825	1525	961	2159	856	1984	938	0	0	523	1457	813	1710	1847	1691	1728	1792	0	0	1778	1411	2742	2135	0	0	0	1666	1090	1770	1627	1879	1496	1060	1260	1687	1395	3281	0	0	667	0	0	0	0	0	0	0	1306	1375	2006	724	0	1983	238	336	2967	0	0	0	0	916	1130	0	1307	441	2218	0	0	0	909	775	777	0	952	0	1138	1883	32971	911	357	394	0	938	875	3004	896	933	3933	38495	15668	7126	2479	0	0	1341	1958	0	399	409	2338	1070	0	0	1458	661	0	1157	1206	Peptide	0.33333334	1.6666666	0.22222222
8	C18 H30 O6 N4	399.22382	399.22415	-0.32572335	399.2237	1838	2113	1246	2434	0	1045	640	0	742	0	1943	0	0	0	1505	3065	1449	1164	0	0	0	1057	921	0	1501	0	905	14941	1018	1148	1573	2507	1614	0	0	1318	0	1832	1038	0	0	1329	0	0	0	0	0	0	1561	1024	2608	1384	762	0	0	0	630	2576	0	0	0	0	0	0	0	0	0	1574	0	0	0	1186	1126	1129	0	914	0	0	1591	31304	687	0	640	0	0	0	2155	0	905	4683	67709	20076	3253	2737	0	0	1459	1623	0	1012	0	1644	0	0	0	2553	0	0	856	1841	Peptide	0.33333334	1.6666666	0.22222222
6	C18 H30 O6 N4	399.22382	399.2243	-0.25575238	399.2237	2502	2070	2744	1770	882	1324	1026	1612	0	0	1697	1358	908	568	1826	4387	2069	1692	1892	0	0	1205	2329	3813	3124	0	1401	6859	2030	645	1181	2898	1852	1803	1031	1492	3155	773	2268	0	0	606	0	0	0	0	0	0	3730	1694	3484	1946	0	0	1306	0	831	3706	0	0	0	0	0	0	0	0	749	3432	0	0	0	975	2238	0	962	1540	0	0	1278	35430	0	0	476	0	0	0	2931	572	948	4672	78245	23438	7178	3274	0	0	2095	2795	867	0	0	1404	539	0	0	1502	760	0	2239	1686	Peptide	0.33333334	1.6666666	0.22222222
2	C18 H30 O6 N4	399.22382	399.2245	-0.21673168	399.22372	2769	3641	2714	3489	1348	0	1785	2959	1689	623	1442	1911	1965	1194	2216	2243	1837	2008	2718	754	1122	2309	2196	3154	1833	0	0	6679	2616	2656	2830	3375	3897	3535	1039	2051	2814	2309	3917	0	0	0	0	0	0	956	293	0	2803	2103	3423	2603	1639	0	2581	627	594	3779	631	269	2510	0	1520	1885	0	2778	2605	3954	0	410	0	3193	2898	3669	560	2158	0	1738	3076	45440	1143	0	513	0	674	1397	3070	1390	2277	8230	48929	23087	8356	3940	371	0	2656	2741	1026	322	1218	2946	1422	1892	0	3472	807	0	2928	3030	Peptide	0.33333334	1.6666666	0.22222222
4	C25 H34 O2 S1	399.23523	399.23575	-0.40544558	399.23508	0	0	0	0	0	875	0	0	0	0	0	0	0	0	0	753	0	0	0	0	0	0	0	404	0	0	0	0	0	0	0	0	0	1486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34399	0	0	0	265	0	0	0	0	0	976	3118	0	0	0	0	0	0	0	0	0	0	426	0	0	0	0	0	0	0	0	Organosulfur	0.08	1.36	0.0
2	C25 H34 O2 S1	399.23523	399.23535	-0.5741929	399.235	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3407	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50350	0	0	0	0	0	0	327	0	0	0	2395	0	0	1070	0	0	0	0	0	0	0	0	418	0	0	0	0	0	0	0	Organosulfur	0.08	1.36	0.0
16	C21 H34 O7	399.23773	399.23816	-0.12821606	399.23767	3754	3165	2168	2206	2171	1684	10983	4006	0	0	0	3246	0	2034	4097	3995	6316	0	1974	0	0	0	3125	2486	3858	1722	8122	0	5077	4924	4162	5221	3278	5349	0	8566	4801	3426	6071	0	0	2035	0	0	0	0	0	0	6036	3942	4696	2710	1250	0	0	1713	1619	4460	2866	0	0	0	3913	0	4075	2690	4023	5918	0	0	1483	3073	4116	5846	5563	4662	0	3932	0	0	2553	0	22822	13739	2584	4070	3755	3278	2354	0	0	0	0	0	2237	0	0	3761	1098	3472	5358	5671	1900	4379	0	0	1996	0	2938	3291	Lipid	0.33333334	1.6190476	0.0
24	C21 H34 O7	399.23773	399.23807	-0.25406766	399.23764	31208	29103	31800	30345	29613	32201	70093	36443	23515	26868	15843	10983	44311	32410	30323	25695	13556	45051	55772	25219	15952	23527	19497	26899	31277	5391	49213	41137	42338	27899	31707	43049	50494	39986	31182	42702	60022	22121	15000	17107	4758	20554	3650	0	0	18617	4862	0	38377	26333	31473	32365	23439	0	50663	20643	15472	34105	39218	5877	29433	15131	40837	28266	24439	47415	41557	12835	0	9618	0	31797	37991	40353	15004	33042	0	23019	13283	26582	13128	14487	53582	28908	27655	21330	22881	17378	31240	9765	78064	70987	43378	12605	17348	0	34522	32359	18301	19985	31608	42023	20548	26534	61529	31333	21127	0	14069	37913	Lipid	0.33333334	1.6190476	0.0
26	C21 H34 O7	399.23773	399.23804	-0.19709821	399.23764	9193	5579	8119	9470	5360	4329	16337	9392	4448	6806	5117	0	11991	5963	7140	6516	0	9739	12163	6160	0	4512	5269	8895	5867	0	10059	16111	10680	7779	8189	9744	15920	11017	6417	13193	15668	5779	3300	7694	0	0	0	0	0	0	0	0	12081	0	7798	7602	6127	0	9977	0	2946	11914	11783	0	7302	12545	5243	5742	4964	12894	11155	2167	0	1809	0	6831	8676	15215	0	10830	0	4024	4733	9938	0	4075	10346	5712	5641	0	4571	3804	5329	2518	24849	27316	8477	7208	0	0	6332	5310	3065	3129	5525	11453	3835	8378	40599	5451	5728	0	5465	6906	Lipid	0.33333334	1.6190476	0.0
18	C21 H34 O7	399.23773	399.2381	-0.27178594	399.2376	6746	6657	9514	9874	8159	4557	36053	9667	4350	3337	1699	7128	4713	8312	7112	12151	12950	7902	9292	3313	2535	3907	7130	6823	9295	5404	34732	5457	11865	10408	8964	16982	14876	8663	0	14846	11076	8451	22045	2586	0	6253	894	0	0	1918	1776	0	12952	10304	8362	6390	6895	0	11351	3324	3793	13804	4467	3488	7119	0	7526	4018	7582	10629	8115	17958	0	0	0	10318	7359	12434	18218	15176	0	7439	4462	2480	6491	2823	59624	31399	7750	6671	13305	4782	5411	16869	7546	10577	12458	0	0	0	10841	5261	2770	9101	11777	16179	5977	6755	4115	10462	6785	0	6971	3629	Lipid	0.33333334	1.6190476	0.0
20	C21 H34 O7	399.23773	399.23807	-0.3140581	399.2376	20129	22899	21971	16654	14055	14220	88838	26001	15277	11241	4914	13557	20594	17225	23519	20737	16745	18935	23562	6479	3351	6923	16990	14336	20808	14859	72801	11550	32086	20369	27365	30042	26924	21049	6280	26745	32204	17045	19288	3200	2428	15613	2896	0	0	10148	3829	0	33013	17549	19420	21027	14944	351	25195	11297	10859	33998	13491	8782	20680	4857	19681	14827	18112	30408	25153	22180	0	4238	1913	22913	22037	31173	26297	22269	0	16742	15866	14455	4894	4815	115858	86300	15402	11223	26705	12537	16500	27740	28055	24647	24545	4978	4716	0	25214	21682	14073	22054	23735	36919	14830	20598	8268	22242	13513	0	18118	15103	Lipid	0.33333334	1.6190476	0.0
18	C25 H34 O4	399.253	399.2534	-0.1933434	399.2529	17064	12191	13394	10648	6909	3962	23956	16414	8159	6361	6075	11030	4460	9231	10908	22263	50392	3810	7154	5897	4930	4914	10370	6910	9750	6814	30018	6234	10249	12876	14797	16323	10444	5014	3902	17927	12868	19152	47500	3737	7355	6497	440	0	0	2488	3978	0	13008	14563	19778	14700	8218	0	10888	13698	12467	16678	7775	14637	11944	2567	3705	7942	7516	4355	9516	51463	5514	6210	13115	4448	4128	14791	36485	13360	0	9939	19316	8588	15846	6938	11652	2141	19992	15314	30615	3667	7243	39920	12393	8659	13302	3412	11727	0	11604	9904	12391	20225	23367	22978	8731	7778	11275	8009	13872	0	20313	2830	Lipid	0.16	1.36	0.0
10	C19 H34 O5 N4	399.2602	399.26065	-0.2018371	399.2601	8190	8795	6348	9077	0	2420	0	0	0	0	5207	0	0	0	0	4042	1073	0	0	0	0	0	0	2515	1105	0	0	52389	981	0	0	0	1291	1304	0	0	1218	0	2096	0	0	0	0	0	0	0	0	0	1569	0	8540	7100	0	0	0	0	0	2522	0	0	0	0	0	0	0	0	0	1182	0	0	0	0	0	0	0	0	0	0	0	445915	0	0	0	0	0	0	0	0	0	0	725087	180697	0	39643	5954	0	9076	7672	0	0	0	0	0	0	0	1442	0	0	0	0	Peptide	0.2631579	1.7894737	0.21052632
8	C19 H34 O5 N4	399.2602	399.26077	-0.1540005	399.26013	9066	7481	6365	4787	640	4375	0	0	0	0	4350	1041	0	0	1010	0	0	0	0	0	0	0	0	1854	0	0	0	47886	0	741	0	1802	972	1102	0	0	1351	0	0	0	0	749	0	0	0	0	0	0	0	0	6531	6105	0	0	0	0	0	2589	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1013	0	1075	0	0	0	0	571877	0	0	0	0	0	0	0	0	0	0	579515	151968	1457	35517	4510	0	6819	6022	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2631579	1.7894737	0.21052632
6	C19 H34 O5 N4	399.2602	399.26062	-0.18581344	399.26013	16346	13273	13058	11752	1009	10164	0	0	0	0	10606	0	0	502	0	1475	0	1598	0	0	0	0	0	1102	742	0	0	87342	1021	0	0	1336	1228	863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13890	14560	468	0	0	0	0	1319	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	961512	0	0	0	0	0	0	0	0	644	0	1182690	375506	1378	84525	10667	0	15015	12786	0	0	0	0	553	0	0	1184	0	0	0	0	Peptide	0.2631579	1.7894737	0.21052632
4	C19 H34 O5 N4	399.2602	399.261	-0.025959356	399.2602	2729	1582	2374	2913	0	1640	0	0	0	0	0	0	267	0	420	633	0	0	0	0	0	0	391	1137	462	0	0	17975	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2725	1537	0	0	0	0	0	860	0	0	0	0	223	0	0	0	410	0	0	0	0	0	0	0	0	0	0	0	330	257936	0	0	0	0	440	251	390	0	0	491	239778	73542	1160	13102	1460	0	2036	3132	0	0	0	0	0	0	0	376	0	0	313	0	Peptide	0.2631579	1.7894737	0.21052632
26	C22 H38 O6	399.2741	399.2742	-0.38543084	399.27396	6663	3742	6093	5834	3189	0	84179	0	3619	0	12010	0	4341	14802	0	5795	6343	0	0	0	0	0	0	0	0	0	64949	30337	0	0	3358	4437	5072	6772	2317	0	5386	4288	4914	2138	2861	0	0	0	0	0	0	0	4865	0	5456	4840	2784	0	0	0	3878	4464	14385	6060	6941	5979	5390	2576	17043	12460	13504	5733	0	0	0	5680	4196	0	0	3593	0	0	3407	23265	0	9668	17339	16213	0	0	4257	2456	3212	4833	32468	30230	0	4275	0	0	5316	0	2769	2432	0	6227	0	5325	31089	2172	0	0	3919	2077	Lipid	0.27272728	1.7272727	0.0
22	C22 H38 O6	399.2741	399.2744	-0.24495621	399.27402	3991	1728	2294	1861	2220	2205	60380	2000	0	0	0	0	0	5655	0	2002	5552	0	0	0	0	0	0	0	1498	6212	49316	4926	3406	1943	2342	0	1814	2225	0	1624	0	0	4713	0	0	3895	0	0	0	0	0	0	0	0	2661	2931	0	0	0	0	3482	1476	0	0	2381	0	1512	0	13311	1835	4577	5130	0	0	0	0	1663	3477	3745	2124	0	0	0	3455	0	0	42645	40369	1629	5749	1527	3129	2569	2696	5345	3668	0	0	0	0	3826	2681	1168	0	12585	1549	0	0	0	0	5342	0	0	0	Lipid	0.27272728	1.7272727	0.0
24	C22 H38 O6	399.2741	399.2744	-0.2523299	399.27402	12112	9962	9839	10814	6131	3614	206171	7012	1621	2382	8170	2059	2874	69772	2161	7663	15542	0	2466	3005	3031	0	0	1617	1942	18910	177751	26584	4836	5345	3845	7333	9501	7433	1657	9378	6610	2364	19149	1097	5709	5246	3473	0	0	1496	2265	0	9274	4447	11420	9738	3879	0	0	3938	3550	9439	1967	8595	12998	2786	19274	0	40534	9846	16844	16883	1427	3307	5001	3617	5704	9156	11402	7724	0	1298	1367	17906	0	6845	53315	66184	1349	0	1794	2630	5738	8075	24206	17616	4138	2452	3783	0	13767	11281	5817	1859	3175	9589	2337	8530	7878	7124	0	0	3509	5178	Lipid	0.27272728	1.7272727	0.0
22	C26 H38 O3	399.28937	399.28964	-0.2868753	399.28925	4200	5001	5180	4583	1307	2343	11677	5412	3003	0	2830	5829	0	4875	2798	8336	36894	0	3085	0	0	2625	4190	2198	7424	2517	15340	2844	7471	10731	4142	9558	7026	1247	1978	8587	3706	7754	27761	0	0	3422	0	0	0	0	1590	0	7154	8544	4806	2676	2196	0	3048	5206	4852	7407	0	3024	4850	0	2313	1589	4653	1805	3951	36514	0	0	0	0	2142	7724	16467	7833	0	2424	9843	4739	5801	1845	3467	1735	6040	4354	19189	3150	3172	32130	3438	4933	3875	0	0	0	2885	5304	2897	8947	6748	8840	5280	2323	0	4857	5450	0	9210	0	Lipid	0.115384616	1.4615384	0.0
26	C23 H42 O5	399.3105	399.31042	-0.3458842	399.31036	2348	3303	2435	0	0	0	95385	0	0	0	6589	0	0	34020	0	0	0	0	0	0	0	0	0	0	0	5084	84948	19323	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2003	0	0	0	0	0	0	0	0	0	0	0	2699	0	22068	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10577	0	0	9896	9930	0	0	0	0	0	0	10943	6336	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2173913	1.826087	0.0
28	C23 H42 O5	399.3105	399.31058	-0.20318376	399.31042	3170	4388	2587	2854	0	0	34388	0	0	0	4147	0	0	3892	0	0	3058	0	0	0	0	0	0	0	0	0	22390	6253	0	4142	2320	17936	17313	14919	0	0	13492	7940	11043	0	0	0	0	0	0	0	0	0	0	0	3482	3084	0	0	0	0	0	6394	0	0	4304	0	0	0	2770	0	0	11259	0	0	0	1669	10952	0	5598	7785	0	14289	0	7139	0	1429	0	2170	0	0	0	0	0	0	6665	6663	0	1775	0	0	2656	0	1079	0	0	19092	15215	0	0	1527	0	0	5295	0	Lipid	0.2173913	1.826087	0.0
24	C23 H42 O5	399.3105	399.3101	-0.25679284	399.3104	0	0	0	0	0	0	19281	0	0	0	0	0	0	5507	0	0	0	0	0	0	0	0	0	0	0	0	21098	3981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3807	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1302	0	0	5150	3470	0	0	0	0	0	0	2214	1674	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2173913	1.826087	0.0
28	C27 H42 O2	399.32574	399.326	-0.3113222	399.32562	2309	2477	2281	1946	808	861	22979	5939	843	0	2308	2819	0	2872	3556	4157	6665	0	0	0	0	0	2498	0	4899	0	20352	2842	5759	9910	2967	4487	2700	2467	0	9061	1395	4627	8955	0	0	3494	0	0	0	0	0	0	4984	6382	1591	1840	0	0	0	0	3421	3843	0	0	3862	0	0	0	2686	0	2850	9113	2324	0	0	925	3384	9729	4526	5312	0	3108	8919	2717	2934	1464	1526	1267	0	0	22360	1073	6999	15933	1594	1476	2249	0	0	0	1672	2420	1569	1760	2029	4130	2759	0	0	1036	1479	0	5316	0	Lipid	0.074074075	1.5555556	0.0
26	C27 H42 O2	399.32574	399.3259	-0.33326524	399.32562	1893	2318	1968	1948	0	0	13106	0	0	0	3637	0	0	2300	0	0	20693	0	0	0	0	0	0	0	0	0	18243	3400	0	11150	4223	5777	1733	0	0	6295	0	6901	23585	0	0	0	0	0	0	0	0	0	2802	6745	0	2652	0	0	0	0	0	2207	0	0	5335	0	0	0	4996	0	3459	21523	0	0	0	0	0	12710	8985	6628	0	0	8406	0	0	0	0	0	0	0	20978	0	0	20195	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2395	0	0	5310	0	Lipid	0.074074075	1.5555556	0.0
22	C19 H13 O9 N1	400.0663	400.0667	-0.23477043	400.06622	5039	5694	6428	4199	8078	5064	4955	0	9765	12082	2932	3833	7605	0	2670	3528	2093	10652	10689	5538	11341	21799	4269	3049	1831	1947	11093	2511	1644	2164	2385	0	2366	0	9116	1111	1901	2993	2868	5720	13267	2703	0	0	0	6840	9137	0	0	1502	6563	4973	4661	346	8638	6922	4262	2304	1470	3352	2410	4961	15162	9539	2824	8145	2660	3648	2881	0	6015	0	1042	0	0	1448	368	1976	8092	17544	3883	5284	1916	2643	9717	4389	5662	3828	3394	9026	3318	3375	7154	32099	24491	0	2128	5956	4108	9684	8121	2648	2500	2421	4609	2938	4689	0	1753	13005	Phytochemical	0.47368422	0.68421054	0.05263158
18	C19 H13 O9 N1	400.0663	400.0667	-0.15232734	400.06625	12825	7301	8702	7987	13133	6289	4036	1903	8993	25016	11700	3087	15135	4750	1344	4315	4908	15667	9730	6219	15236	28745	3907	3410	0	3393	8609	5595	0	1322	2131	0	3183	0	26981	0	4996	2290	3500	14656	24735	6935	445	0	0	8111	19572	396	4277	0	7188	9824	7043	0	12519	9786	6700	3933	1903	2491	2257	10769	26542	17820	5048	15106	9905	6621	4860	6054	7053	1262	0	0	0	0	0	4324	11343	22796	9032	9595	1978	8506	16338	6613	8905	7031	6495	7957	0	3527	7358	40473	35387	0	6637	8038	6890	15850	15332	3789	1705	4158	8305	4080	4599	0	3737	23735	Phytochemical	0.47368422	0.68421054	0.05263158
24	C19 H13 O9 N1	400.0663	400.06665	-0.22037499	400.06622	3606	3018	4888	3158	5734	2722	2336	1600	5851	8459	1929	2848	8243	1386	2923	1803	1787	8094	8565	2067	3949	16860	2504	4012	0	0	10193	0	0	0	0	0	2208	0	7003	1519	3199	1220	2208	4036	10743	1884	0	0	0	2696	6933	0	1006	0	4455	3817	6725	0	8795	5243	1175	1529	0	2292	1829	3300	8648	6681	2003	6927	3168	2334	1391	0	1288	805	1024	0	0	0	0	1028	5325	10535	5651	4452	0	2935	6291	5558	4418	3477	4622	5980	1514	2507	1977	21321	26261	0	4967	4639	1502	3468	5219	2341	2000	0	2919	0	2609	0	2036	10709	Phytochemical	0.47368422	0.68421054	0.05263158
28	C19 H13 O9 N1	400.0663	400.06665	-0.20411505	400.06622	5539	5507	4282	4430	6481	4242	2998	0	4964	10947	2016	1632	6985	3364	2350	2825	0	12465	9254	4458	7861	15023	2411	2453	0	0	1077	1558	0	0	2267	0	3639	952	9833	0	2491	1608	2009	6408	7600	0	0	0	0	4082	7693	0	1677	0	5954	4736	4966	0	9593	3956	2354	2049	1714	4059	2506	4552	10394	5905	2536	7490	3495	2772	0	3261	3129	0	958	0	0	0	0	0	3929	16669	4286	3166	1842	1388	9143	4679	4273	3067	3710	6220	3362	4036	5567	18701	22781	0	6367	3816	1694	3383	3252	3250	976	2491	2691	4028	3878	0	2694	10522	Phytochemical	0.47368422	0.68421054	0.05263158
20	C19 H13 O9 N1	400.0663	400.06674	-0.16525225	400.06625	10223	7458	8879	5507	8299	6341	3042	1787	10021	15928	6381	3454	13279	6483	4021	0	1827	16160	10070	4422	13920	31938	4454	4972	1689	2310	5249	3321	1501	1615	1451	0	3939	1879	21254	1439	5144	2287	2482	12510	19073	4078	0	0	312	7065	18294	675	1505	0	6941	8703	7761	0	13672	8933	6149	5759	3729	2946	8370	11143	20246	13070	6754	12599	5443	4858	3384	1716	3525	0	1301	0	3052	1547	0	2287	7380	24062	6309	7350	2304	0	14781	5611	6185	6414	7387	11876	4698	5711	4449	43090	41373	0	7997	5592	9736	11884	8152	2752	1611	4207	7266	5454	3956	0	4260	21742	Phytochemical	0.47368422	0.68421054	0.05263158
16	C19 H13 O9 N1	400.0663	400.06683	-0.09166338	400.06628	8678	8317	5701	7556	10261	5419	2342	0	15470	20299	11142	2577	18692	3020	1865	5128	3449	11110	10318	12060	12210	33396	5630	4081	2221	1794	1736	3544	1669	0	0	0	2769	0	27241	0	4649	2800	4499	11663	19929	7270	0	0	0	6856	16542	0	2963	0	7204	6891	8361	0	9176	8787	4040	3328	1725	3639	0	10668	23385	16353	5506	14310	5711	1656	6837	5713	13829	1644	1516	0	0	0	0	1084	8633	20224	5932	8183	0	5751	15885	3641	4966	5167	4430	0	0	3785	0	34649	27772	0	12648	8049	8126	16821	14640	2678	1414	2274	5041	0	6900	0	2049	23418	Phytochemical	0.47368422	0.68421054	0.05263158
14	C19 H13 O9 N1	400.0663	400.06683	-0.11549963	400.06625	3200	4347	0	7940	6346	2369	0	0	9495	20348	9279	0	12617	3147	1265	0	0	9588	9101	7418	17208	20580	2922	0	0	2059	0	0	0	0	0	0	2761	0	31445	0	1842	0	1884	13248	14540	1931	0	0	0	2519	10506	0	0	0	6587	5512	5013	0	10457	8844	2338	1756	0	0	0	7948	22825	8859	2377	13871	2553	0	0	4853	12213	0	1046	0	1453	0	0	1148	5920	0	3433	4675	1170	4561	8008	4056	5749	3857	2248	6366	0	3906	4687	27357	19830	0	4004	3035	6855	15494	9478	0	1060	0	0	4229	5120	0	0	13986	Phytochemical	0.47368422	0.68421054	0.05263158
12	C16 H17 O9 N1 S1	400.06967	400.0702	-0.064173765	400.06964	4639	3011	4073	3054	4457	1318	0	1194	3921	15096	10592	0	10053	1962	0	0	0	6638	5047	8299	7094	18195	2575	2313	0	1554	0	0	0	0	1094	0	3161	0	17986	0	2163	0	2067	9657	20685	2338	0	0	0	5709	7304	0	1810	0	3575	3712	3230	0	5074	5538	1143	1527	0	0	0	5809	6066	0	1920	6638	1795	0	0	2409	5929	0	0	0	0	0	0	0	1927	0	876	2267	1525	3625	4793	1452	1358	2611	3004	0	3017	6268	3326	17014	11652	0	2255	6559	3984	3545	3434	0	0	3891	0	1979	3270	0	1420	11129	Organosulfur	0.5625	1.0625	0.0625
14	C16 H17 O9 N1 S1	400.06967	400.0702	-0.10920524	400.06964	4196	3670	3431	3211	7741	4800	0	0	3960	14509	12348	2115	9928	0	0	5384	0	7735	7393	5654	10655	25306	1483	0	1985	2746	0	0	1648	0	0	0	0	0	21917	0	2676	1301	1702	14002	15525	1869	0	0	0	4828	7200	0	0	0	4924	0	3418	0	6906	4424	3295	2121	0	6418	0	12271	6153	5810	1966	5579	1704	2916	0	4250	5973	1242	0	0	0	1059	0	1200	3062	14873	2309	5350	2475	4120	6068	3851	2223	4116	3422	0	3583	11071	4415	22250	22046	0	3938	5427	5039	4747	2786	5526	1164	4146	0	2080	5877	0	2243	10938	Organosulfur	0.5625	1.0625	0.0625
10	C16 H17 O11 N1	400.08743	400.08798	-0.07155791	400.0874	22377	17904	18676	18509	41811	16106	3572	8075	53898	14918	26912	19401	76724	9273	10476	8369	18656	51874	49308	21908	39626	35117	16704	10785	1986	0	4251	3573	5466	8853	6963	8028	13861	5077	23499	5261	10489	8075	8910	11418	34214	24595	818	0	0	10476	23809	0	5646	7844	20543	20242	27428	0	65202	58709	18658	6441	8296	17908	0	18180	86282	68291	22992	47645	21895	14399	7762	1964	4316	7189	5913	5165	13661	6461	0	8237	15121	9614	10511	7032	1963	1787	50418	17628	10327	26067	18492	14442	3902	5048	17126	43267	21482	0	22929	22516	32641	47765	53349	23724	15266	6905	0	10533	34824	0	3370	85838	Phytochemical	0.6875	1.0625	0.0625
14	C16 H17 O11 N1	400.08743	400.08798	-0.051958818	400.0874	51008	30480	37076	32914	89966	40738	7290	18018	112286	9458	45316	42192	179002	32396	29200	19096	23364	131746	97768	23466	66004	65658	62608	24960	4994	0	4564	0	9164	9962	16076	0	22130	12494	28902	13914	22402	24200	20334	24936	47172	62668	0	0	0	15110	77114	0	10092	18430	37054	33800	68102	0	145320	131242	35258	15424	14066	35976	0	40466	181170	138456	52094	108362	56576	23480	31816	0	13514	10526	14838	8614	21616	14238	0	22840	28150	45594	24934	20080	3744	5918	127088	50760	21470	60342	55806	26544	7416	17908	40972	81622	35084	0	43262	49984	78158	95006	100796	47114	29724	14620	0	20016	78228	0	7118	170512	Phytochemical	0.6875	1.0625	0.0625
8	C16 H17 O11 N1	400.08743	400.08804	-0.12795323	400.08737	9809	12665	10835	14215	20403	8290	1514	4635	27443	10061	15183	9118	48977	5345	4411	5758	9371	22825	25607	11627	20639	16520	9737	6214	1096	474	1804	2379	2984	3744	3211	4100	6985	2135	16491	2586	8265	4735	7746	10499	17824	15266	0	0	0	4007	15877	0	4704	4422	16098	9622	14991	0	35478	33134	11459	4882	3384	8090	6171	7783	57723	42774	13330	25568	11761	6019	0	0	3020	4412	3941	2520	5566	1787	0	4227	7541	5526	5351	4128	1833	1444	31438	6738	5680	15853	10868	8494	0	0	10085	25838	11564	0	13242	14381	24975	32561	35059	11512	6019	4389	9780	6850	20537	0	1213	52111	Phytochemical	0.6875	1.0625	0.0625
16	C16 H17 O11 N1	400.08743	400.08792	-0.106527746	400.0874	9755	7483	16084	11226	31012	17903	2452	5279	31558	4999	12728	15215	65813	12058	9287	9192	11020	43904	35707	5643	14808	12280	15013	6681	3330	0	2525	0	2910	3682	4192	0	12649	3589	5858	4943	9872	8155	5325	4913	12759	19326	945	0	0	5025	14942	902	4028	3272	12815	11966	24489	352	45768	41606	16114	7245	6466	9575	8558	10903	59325	42352	13890	30889	14954	6611	6451	0	4964	3052	2505	6212	7628	4030	471	8563	7713	22916	7844	7592	1399	2551	50582	13068	7356	15096	20641	0	3831	6422	0	22182	7850	494	10252	9805	23766	29435	37651	10753	8055	2043	12513	13097	29802	0	2832	63569	Phytochemical	0.6875	1.0625	0.0625
20	C16 H17 O11 N1	400.08743	400.088	0.02385321	400.08743	2234	1628	1650	3420	10454	6103	0	0	11842	2103	2157	3189	20155	3339	2797	1870	0	11116	5187	0	2815	4795	5543	3700	0	0	0	0	0	0	0	1363	0	1249	1693	0	2089	1313	0	1474	3328	3751	564	0	508	1689	6126	874	0	0	0	2206	4924	249	11547	11408	6099	0	1721	1755	2579	4374	14032	14250	3186	9828	4220	0	1363	0	0	0	0	0	1955	0	503	1289	1491	3761	2118	1779	0	0	15347	5153	1885	3839	3557	0	0	3081	2140	3860	0	0	2618	2518	8090	11026	6755	0	1700	0	1564	0	8931	0	0	23071	Phytochemical	0.6875	1.0625	0.0625
18	C16 H17 O11 N1	400.08743	400.08795	-0.04401489	400.08743	4626	9126	5078	7337	13725	11768	2045	0	14377	0	3367	5624	28841	7563	4219	2309	3917	23148	22686	0	9161	8410	6599	3588	1721	0	1281	0	0	0	1623	3224	0	0	2923	0	1917	4128	4399	2070	7482	9172	891	0	435	3385	8687	527	2214	2489	4798	5527	10864	0	24621	21806	9060	4837	2235	3117	3998	6082	37102	24131	7360	16230	5627	1896	3386	0	2454	1831	2071	2037	5091	0	277	2409	4447	4426	3792	2343	0	0	26650	8468	5217	8863	8213	0	4577	3592	2278	12525	3765	0	5171	8166	11494	14031	22800	7150	5085	2711	4638	6207	15127	0	2063	27019	Phytochemical	0.6875	1.0625	0.0625
6	C16 H17 O11 N1	400.08743	400.0881	-0.02607536	400.08743	3159	3528	3250	3142	8411	1781	881	1664	10861	2904	2627	2729	17474	1383	1157	1789	1539	7050	10732	2795	6118	4924	3419	1378	0	0	0	0	0	2070	0	1265	2215	1345	4113	1261	2078	1372	1548	0	5566	4774	0	0	0	0	2546	0	1190	0	3980	3900	5777	0	11533	13609	5271	1965	0	2453	1732	1546	23234	14063	3507	11073	3609	3111	0	0	0	1102	794	0	1182	981	0	1445	2046	0	1618	616	0	0	11927	5593	1529	6641	4435	2026	0	1102	1783	4536	3174	0	4763	3369	7709	13816	12512	4173	1174	0	0	2190	7574	0	1106	21123	Phytochemical	0.6875	1.0625	0.0625
12	C16 H17 O11 N1	400.08743	400.08798	-0.09050314	400.0874	23380	20823	21894	16737	45594	24126	5092	8639	57895	15436	28075	19108	88657	15100	12766	8020	22243	61630	68580	19568	45039	46373	25305	6322	1795	0	3834	0	10019	7101	8309	6602	16695	7875	28932	5507	15291	13138	10499	9782	40162	29666	1415	0	0	14218	37305	0	6793	8487	21269	21844	31891	0	82935	61994	21809	8380	15711	30644	0	23582	108943	75025	22140	56801	25013	24037	0	0	9888	6378	7381	6347	14587	4594	0	14849	16451	25071	13624	10972	2812	1476	65671	18760	12343	29464	23770	18119	0	7394	12512	50098	17021	0	26910	28288	49495	54122	62306	19150	15328	7128	26455	21172	49483	0	6592	108158	Phytochemical	0.6875	1.0625	0.0625
22	C20 H17 O8 N1	400.1027	400.10312	-0.20264865	400.1026	7354	14323	15873	10640	12959	8183	1638	4447	16395	55091	29061	3667	12541	0	3130	4044	4582	13496	14764	20066	36513	46499	5255	8450	5283	21168	1901	13502	3286	1203	3373	0	8051	3053	49949	3550	3476	3273	6013	28331	36090	5816	0	0	463	28951	40256	0	5117	3409	18482	14377	10889	658	16854	11251	6497	7202	5022	4956	7699	27554	22231	13030	5140	15673	8932	5267	27466	33540	45017	1819	0	1092	2027	1513	392	4882	7973	41333	8636	19720	5775	21892	13926	10795	9087	11357	4573	11657	11790	16142	9043	55770	64946	0	14139	14102	10564	14172	9185	7625	3406	9158	19103	7412	10193	0	5860	25556	Phytochemical	0.4	0.85	0.05
24	C20 H17 O8 N1	400.1027	400.10303	-0.21591504	400.1026	8507	7982	7697	8360	4743	4341	0	2731	9178	27325	13719	0	7746	2927	2174	1946	1885	6629	8275	9807	14060	24742	4026	3659	2833	5819	0	8433	0	0	2519	1914	0	1580	27093	1322	3237	1446	2880	12714	18120	2410	0	0	0	11857	24057	0	1851	0	5159	9160	6166	0	8146	6467	2956	3690	2999	2379	1647	11537	11033	10535	2954	6994	3546	1931	15395	15810	18753	1782	0	0	0	2527	0	1643	4247	19985	4914	9824	4036	9080	9858	4511	4617	2333	2781	5350	6947	4995	4397	32530	40798	0	3460	8362	4357	5772	3981	2000	1741	4712	10171	3797	3078	0	3086	9998	Phytochemical	0.4	0.85	0.05
20	C20 H17 O8 N1	400.1027	400.1031	-0.20129943	400.1026	74451	84007	75700	59587	74059	58571	11872	11372	91253	280237	150747	18477	96496	51948	34660	32531	11080	75047	99015	158140	191613	181583	34649	30209	32057	189393	13099	124273	14354	12616	7188	9935	26636	15330	273963	6504	44226	26893	19214	151563	128438	43317	3157	0	0	107352	140948	0	21149	7554	73073	74933	55570	309	87743	78952	29683	38514	28172	21425	29896	97692	126346	69075	33744	94476	42639	19248	215542	224297	312148	14493	15167	9334	21703	18361	400	17037	45488	149457	44422	100473	31475	87551	97616	43780	47669	39477	47908	35372	63496	72536	49289	189978	214254	0	65521	84215	78766	67148	47232	24522	14793	35072	90723	34859	68080	0	29281	121532	Phytochemical	0.4	0.85	0.05
16	C20 H17 O8 N1	400.1027	400.10315	-0.15550506	400.10263	42022	45293	44315	40314	38046	23996	8116	10445	43043	171486	94929	7920	50891	20290	10093	18690	9638	34019	46810	100525	108036	110959	16089	15416	10775	109781	10546	60980	8579	7111	7120	8534	18486	9097	183911	7449	21203	8909	14757	96362	99392	15640	635	0	0	56312	72920	0	12595	9828	41147	35664	29621	0	48132	35577	17123	22302	14278	17594	13789	64676	67129	37653	13293	44935	25598	14560	105936	140247	172377	8502	6973	2324	6953	8173	0	9060	31334	102422	16857	46385	15342	59828	40687	17514	31307	19868	18034	25421	35917	42944	41099	119253	140136	0	40468	34931	31100	36641	37446	13741	6378	20443	43423	14677	31439	0	16143	59779	Phytochemical	0.4	0.85	0.05
28	C20 H17 O8 N1	400.1027	400.10303	-0.1794131	400.10263	3447	4491	4023	2165	3830	2864	2194	0	2606	16644	5937	1085	3023	1513	2399	2133	2374	5452	4231	4342	7879	10401	2585	2658	0	0	1137	6023	0	0	1199	1044	1378	0	16735	0	1963	1683	1443	7400	10767	2302	0	0	0	3359	7787	0	2183	0	3196	4267	1628	0	3542	0	1777	1476	0	1570	2134	7541	3321	3157	1590	4599	3865	2448	7769	6431	10492	962	0	0	0	0	0	1373	3312	13330	0	4731	1504	2584	2875	0	3541	2645	2985	2339	1663	4788	2345	11583	20272	0	3672	4335	2003	1295	1731	2337	0	2967	5742	2739	1502	0	2449	6679	Phytochemical	0.4	0.85	0.05
12	C20 H17 O8 N1	400.1027	400.10324	-0.1261743	400.10263	25115	21639	20731	18556	21676	12511	5044	7812	26784	81736	50038	6383	31522	9587	8381	9777	10136	29428	28060	58734	86739	53961	9253	8445	3636	53880	5713	40702	4919	1895	4542	2724	10343	3149	110429	3081	9247	8841	13191	47799	67339	7094	0	0	0	32736	58733	0	3967	3998	18289	15240	13502	0	30418	17837	9522	8458	6497	0	0	34375	40598	22900	8003	33867	12447	11764	97751	99877	142028	4255	4063	3170	4185	4561	0	3819	18161	46685	9743	29713	5838	24628	28849	8899	16659	9222	10404	21363	11125	21140	15622	65088	56428	0	21625	16940	17239	27182	20287	8040	6564	8970	19557	7919	18636	0	8871	34890	Phytochemical	0.4	0.85	0.05
26	C20 H17 O8 N1	400.1027	400.103	-0.24990678	400.1026	5231	3769	4433	5056	4182	2931	1508	0	4014	20558	8030	0	4970	1925	0	0	0	7404	3976	5609	11356	16031	0	0	0	0	0	4293	0	0	0	0	2985	0	18368	0	0	0	0	8636	13045	0	0	0	0	5705	17244	0	0	0	4522	4001	2720	0	4763	0	0	1678	0	0	0	6942	3761	4325	0	4195	2268	0	8159	8664	11357	0	0	0	0	0	0	0	4453	16555	0	7638	0	3474	0	0	3871	0	3010	1804	3214	5970	0	17775	25259	0	4916	0	3323	2684	0	0	0	0	8266	2777	0	0	3374	5108	Phytochemical	0.4	0.85	0.05
10	C20 H17 O8 N1	400.1027	400.10324	-0.09649262	400.10266	18341	17439	14610	11072	13941	7566	2745	4098	21534	56429	37285	2485	25090	7020	4583	4040	6465	16355	16536	36613	46350	37913	5614	4155	2123	31216	1779	21072	3418	1560	2325	2743	6564	2822	65663	2342	7301	3449	5486	26611	53557	4170	0	0	0	21243	35062	0	4553	3917	14792	12505	9887	0	20110	15679	6488	6639	0	5585	0	23259	26020	18087	6230	19522	6008	6993	57129	50224	87491	3307	1597	1565	2956	2484	0	1967	10280	26427	7855	17705	4035	14165	20038	5853	8397	7488	6550	14628	5859	10597	10516	37216	38797	0	12687	15503	14697	17408	17870	8396	1835	5206	0	5188	12805	0	3772	21433	Phytochemical	0.4	0.85	0.05
14	C20 H17 O8 N1	400.1027	400.1032	-0.11523531	400.10266	32191	32158	25303	33576	33014	19112	7297	9220	35627	123500	87136	8687	47616	16373	8921	8960	10354	43636	39477	68158	113751	109561	14359	18933	10633	86842	8661	44217	8079	7187	6924	0	17185	4334	152574	5239	12682	12058	12779	73524	100556	13390	0	0	0	39458	80207	0	9973	5733	31362	32244	23923	0	38806	29973	13454	16562	8423	9987	0	60121	53957	39279	12618	34498	19721	11622	116591	131948	157642	8169	5350	2848	6147	3170	0	6320	22245	78484	14721	38736	10707	46155	38545	15698	24688	11786	13247	31478	22990	27373	25565	94128	98861	0	36001	30728	23921	36084	30609	14778	4622	15824	37858	11821	21807	0	9326	49834	Phytochemical	0.4	0.85	0.05
8	C20 H17 O8 N1	400.1027	400.1033	-0.091744594	400.10266	7099	5018	5272	9801	8799	3175	1579	1774	10063	32206	19056	1688	15132	2963	2864	3848	2623	7861	11253	13679	24254	23852	4095	1864	734	9348	1159	9228	1198	0	2279	1233	3905	932	44009	1708	2898	2478	3761	13824	29054	3570	0	0	0	8416	20952	0	2804	968	8244	11127	4207	0	10220	9626	2978	3299	1652	1605	0	11443	16679	10813	2054	11843	3196	2116	24668	19283	44155	1121	927	1266	1175	1075	0	1098	3795	15135	3744	9103	694	6375	8421	0	3825	3445	4030	6344	0	0	5498	18824	21741	0	8373	6200	9585	12777	8944	1291	1761	4357	7195	2710	7455	0	1055	12882	Phytochemical	0.4	0.85	0.05
8	C17 H21 O10 N1	400.1238	400.1244	-0.14421682	400.12378	109670	105890	75978	110098	77841	58720	43250	92431	123435	174736	139161	84900	176435	34492	69489	101230	116324	140023	160625	162762	233542	161081	102630	103691	27171	32930	51908	46683	72438	76005	67932	85225	101949	76021	226960	79894	105219	64776	104067	137444	200468	93880	2142	307	0	109789	168896	0	85848	97735	111692	112645	80051	523	184109	120157	59063	83468	86514	111359	109377	111375	179788	154635	62984	110692	80512	112423	117779	54880	115285	88680	77517	73340	77612	75602	0	64213	80096	72017	66436	59021	46581	47281	125150	70380	56972	81552	84078	101156	36161	79223	117257	132517	144449	557	113399	130568	101894	104220	120498	110867	69740	124940	69560	84229	105233	0	42917	182944	Phytochemical	0.5882353	1.2352941	0.05882353
10	C17 H21 O10 N1	400.1238	400.12436	-0.1303305	400.12378	208587	212486	197854	178285	164925	128118	89095	192129	252010	373983	264746	145646	357087	87435	142761	192062	179104	350937	332882	382384	499429	317828	193732	207903	65510	80496	101585	114732	151941	158561	143581	152628	211167	142652	464071	174968	203220	122971	170030	305421	351615	164464	6761	800	477	224258	296774	1035	154311	172650	200139	208785	162720	820	401616	228573	103116	161001	179614	192656	218049	255527	325264	296593	108322	220918	159120	178890	266502	129394	216923	168635	155418	158231	153959	135446	0	124787	143500	164112	130569	128951	91490	96021	249202	139702	112715	148708	155768	151364	98233	150939	229869	233102	294314	1506	202088	245186	182421	163666	178163	224408	132333	217481	257604	169119	208988	0	77548	352922	Phytochemical	0.5882353	1.2352941	0.05882353
14	C17 H21 O10 N1	400.1238	400.12433	-0.1213318	400.12378	229002	222488	197695	226907	231275	195756	114095	225854	319009	318224	246575	157445	494098	120072	210479	193663	190652	485449	386481	429480	582044	338265	236972	200592	108406	132280	102658	145451	195433	203922	163406	200558	237118	143672	479320	193010	211107	154931	158187	312654	325458	219222	12564	1480	989	281682	389928	1128	150669	206673	218604	211430	207127	1569	572051	289308	134976	173630	266358	182612	210233	345923	407208	354205	136809	263767	194667	135059	392542	228914	293869	174339	169432	212363	170030	156875	787	177354	166525	233631	159560	206434	98524	117654	320284	185516	145641	170436	179974	125863	103961	183948	261673	266324	267443	2259	213476	283867	221141	198356	237645	258667	148758	238112	324810	182398	271932	1096	98916	391690	Phytochemical	0.5882353	1.2352941	0.05882353
6	C17 H21 O10 N1	400.1238	400.12445	-0.16785584	400.12375	38894	37814	34674	39177	30979	20779	15803	38797	47120	52771	48961	29002	62238	15636	21924	42558	39102	58241	60273	46692	72665	57500	35924	36046	8653	12712	15988	15290	26374	29912	28387	28915	41044	27179	62774	29779	33929	22350	41947	36150	66861	32014	0	0	0	33509	61470	0	33284	35486	42215	36230	31637	590	60504	50731	23593	29850	26302	40153	42225	30844	76855	52557	23749	46942	32339	52417	30683	19217	31956	27609	26668	26820	23200	26005	0	19895	24168	17316	19843	16724	14064	11524	56106	28679	23181	33558	33841	44327	10803	21507	41661	40346	36737	0	36519	41901	32232	41982	50725	48978	22867	41295	29010	32237	44649	0	12725	78815	Phytochemical	0.5882353	1.2352941	0.05882353
26	C17 H21 O10 N1	400.1238	400.12418	-0.24008857	400.12372	5139	4739	4655	4817	5939	6822	0	0	8483	8902	2409	3923	7277	0	0	0	0	11315	8589	11635	13691	2572	6852	4785	0	0	0	0	0	0	2389	0	1930	2624	8252	0	3412	4043	0	4390	9193	0	0	0	0	5945	9532	0	2946	0	3664	6846	4447	0	6525	0	2903	2886	2925	3733	0	5954	5682	5822	0	5870	2549	2046	8148	6974	39370	5669	4680	0	0	2680	0	2643	3531	0	3920	0	0	2328	6554	0	0	0	3083	1489	0	0	0	0	0	0	4709	0	7349	2680	0	0	3104	0	0	2410	6035	0	0	8177	Phytochemical	0.5882353	1.2352941	0.05882353
28	C17 H21 O10 N1	400.1238	400.12424	-0.17050996	400.12375	9438	8319	8867	8297	8346	9501	3235	4138	8535	16667	8175	4363	12040	2524	5258	6341	5094	19155	11271	20024	28132	4780	5918	7500	3050	12096	1751	3192	5129	3206	7106	4528	5465	4467	12813	6457	6879	4299	5294	9710	10643	5334	1303	0	0	6695	10703	0	5107	4724	11508	7015	9524	0	10030	6013	5079	3720	5540	5730	3393	12203	10043	8234	6056	5216	5115	4696	44580	47803	24892	4436	4425	5589	7791	3491	0	4865	4060	2568	4721	5142	2621	5254	14674	7214	3601	3870	5151	3119	3031	4157	5550	4750	3422	0	9687	7505	7421	3440	5434	4092	5888	6341	7320	4003	9598	0	1958	12226	Phytochemical	0.5882353	1.2352941	0.05882353
12	C17 H21 O10 N1	400.1238	400.12436	-0.11236559	400.12378	257949	258390	242754	247290	246732	188488	159038	267489	354108	417274	314505	174543	453806	98602	206106	199133	234176	499174	475152	523662	667052	462374	280147	230267	100748	125165	104547	175821	221151	195798	192860	179692	291780	176860	671658	204991	225394	177864	195469	394622	434160	217183	8172	1134	718	317970	423845	1447	185853	237703	250571	237707	233557	1315	593362	285342	152895	181528	275170	240350	223473	400444	485594	390842	128570	307574	211842	202140	451253	228034	356815	193774	188712	218459	180867	163705	486	188511	183447	244698	164713	207547	126850	134654	300669	179171	170686	152560	196204	209988	117712	235188	275830	319205	283530	1406	275426	336328	276678	195158	223725	278580	173271	239219	306912	217229	289641	1282	104107	511128	Phytochemical	0.5882353	1.2352941	0.05882353
10	C16 H21 O9 N3	400.13507	400.1356	-0.17171471	400.13498	14931	10515	13645	11490	8510	6092	5769	13145	9307	6870	5901	13302	12436	3399	13659	13470	11868	17481	16798	7081	9899	18446	15008	13997	7589	0	5336	0	12567	12754	10856	13772	16800	14383	10265	8562	13022	13032	14613	9444	8921	11551	0	0	0	9208	7028	0	10318	12873	10508	10941	9092	0	14853	4745	7653	15355	13022	9283	14278	5061	16259	16231	7773	11801	14403	18823	0	2830	0	11947	9740	11360	10703	9266	0	9199	10388	5157	8843	5519	2715	0	6760	6449	12709	10978	12683	21999	5117	11649	34668	8539	0	0	10894	12217	4215	5113	4938	16167	10726	8820	0	15309	6094	0	6926	17287	Peptide	0.5625	1.3125	0.1875
8	C16 H21 O9 N3	400.13507	400.1356	-0.209695	400.13498	14683	18649	14520	15905	11768	9071	8102	17322	14483	11162	10201	13842	22532	3494	14215	17779	18440	18670	20839	10246	14756	24397	18713	17023	6976	0	7218	4345	12206	12849	14970	13995	20080	13729	16541	13856	18786	11927	20429	9131	13375	14794	0	0	0	8201	15177	0	17996	15537	15307	15207	12850	0	22290	9727	10918	12383	16072	11380	15351	8925	29997	20214	9749	14767	17310	23961	0	0	0	17688	13263	11401	14189	11654	0	13037	12239	0	10194	6187	6788	2116	11642	6430	11955	16145	14411	33685	0	21251	42917	9478	6944	0	16821	15361	9633	10688	10841	19970	11689	11354	0	21961	9509	0	9303	28249	Peptide	0.5625	1.3125	0.1875
6	C16 H21 O9 N3	400.13507	400.13565	-0.19281293	400.13498	12976	16535	11933	14977	12037	9184	6276	15559	12806	7843	7995	11799	19173	2847	13244	16071	19768	19625	20185	7909	12155	23374	17146	21834	4546	0	6955	5506	11560	12361	13034	13427	17786	12363	12600	10505	18763	11773	20424	8440	16274	13194	0	0	0	7940	16605	0	15543	13858	15153	14886	13178	0	21714	9440	9801	16454	11397	13671	15005	8169	27844	17365	9938	17509	17481	24550	0	0	3173	11084	11140	11624	6176	11582	0	8639	10147	6090	7581	5956	5378	1602	12032	9392	11526	17135	16006	34765	6611	13327	33214	10568	8160	0	13615	14680	7030	9590	10144	20596	11192	13028	9236	21432	10110	0	6598	32218	Peptide	0.5625	1.3125	0.1875
24	C21 H21 O7 N1	400.13907	400.13947	-0.17064767	400.139	6452	6296	8210	8885	5007	6115	0	4069	7324	39701	22271	2071	6842	3972	2390	5375	2511	10101	10812	15558	26431	21493	4208	7284	1964	26125	1206	17799	3607	1369	2542	1191	4678	2070	40355	2214	2977	1763	3263	22238	29267	4158	0	0	0	22421	20490	0	2019	1767	8620	8575	6179	0	7318	5267	2857	2998	2201	2402	5703	15001	6941	6939	2486	6694	5071	3763	28515	36795	45714	3723	3122	1638	1817	1904	0	1789	5481	17633	5756	15106	3541	17328	7332	0	5252	6755	2065	6920	8180	4221	6558	23846	29538	0	8300	10999	4311	4226	4986	4634	1876	4005	11992	5049	4634	0	2334	9324	Phytochemical	0.33333334	1.0	0.04761905
10	C21 H21 O7 N1	400.13907	400.1396	-0.18419176	400.139	37611	26953	26381	21749	20297	11703	5762	10007	20842	102476	66719	8960	23971	10689	9654	12300	12926	20698	24229	86694	104583	51725	10460	15206	8008	107049	9427	45681	10152	9398	6907	12074	16314	7872	118952	10637	16421	9584	11421	67320	68956	9939	0	0	0	40614	50590	0	11501	8554	24522	25091	11642	0	22044	14228	9230	16375	8354	13456	15953	32585	21467	17798	5327	20498	10787	15808	104880	136288	154814	11500	8631	4812	9598	7576	0	6513	15580	37305	12203	22064	8253	30348	18193	8308	15776	9264	10761	24797	29915	23998	20965	44010	60415	0	26399	30134	16018	17817	13938	12293	7130	14321	15597	13043	12630	0	10047	22200	Phytochemical	0.33333334	1.0	0.04761905
18	C21 H21 O7 N1	400.13907	400.1395	-0.18285128	400.139	65043	65814	68642	59222	55353	39891	23162	29196	51747	231276	134641	17087	57123	35391	24930	41385	25599	60051	69399	179337	193058	112123	32749	39858	30528	216088	21568	138047	24342	26474	30605	26858	41885	24463	221029	20639	46209	25257	34675	169870	144657	28664	1484	0	0	92642	94694	479	31500	28261	67649	67007	39619	274	52160	36069	23006	41386	29931	30436	33664	103742	62311	42980	20091	59165	40432	30863	204411	278441	310693	24610	19249	12356	22499	23596	0	14915	46057	93395	29128	71127	29025	93613	52412	27910	40181	34918	36540	48651	60852	76558	59715	100652	170383	479	65491	55730	41541	39386	36752	40690	15231	41362	50612	36328	28486	0	29863	61160	Phytochemical	0.33333334	1.0	0.04761905
8	C21 H21 O7 N1	400.13907	400.13962	-0.19878575	400.139	20171	20164	15554	17845	13223	7457	5402	6396	13060	64982	35527	4989	20499	10195	7775	7920	5188	12791	20648	60605	67403	41961	10716	8141	4402	49874	4832	25473	6133	3757	5025	5548	7466	4007	74168	7620	10436	5748	8987	36331	46886	5411	0	0	0	33307	39857	0	7373	7097	16977	14038	7853	0	13316	12837	6527	9760	3715	7477	8284	24908	18514	14674	4670	16966	8367	9802	69735	88811	109531	6821	3436	4972	5688	5849	0	4809	11692	15633	8490	13083	6090	27727	11902	6679	8990	4921	6814	16024	12561	13410	14877	35325	44598	0	18229	15137	13476	11102	12750	10505	5426	9264	14728	7247	10279	0	6773	16851	Phytochemical	0.33333334	1.0	0.04761905
6	C21 H21 O7 N1	400.13907	400.1397	-0.103737764	400.13904	7910	8541	7574	6644	5839	4433	1790	2978	7938	32690	18554	2604	10469	3426	2535	3870	3365	7907	8689	20204	34697	11939	3530	4365	2797	27335	1831	15208	2157	2001	3737	2656	4685	2383	31013	2721	4209	3259	4959	14446	19109	2876	0	0	0	12221	24211	0	2943	3622	8846	6034	4557	0	8049	6363	2095	6870	1312	4553	3296	9975	10726	5270	2037	7747	4863	3613	31806	40035	52893	2720	3300	2635	1362	3144	0	2473	5690	8980	3335	7151	3738	9857	5261	3685	5249	2767	4587	6581	5177	6569	8081	14318	18731	0	6915	5898	7343	6218	6065	3410	2175	4272	8101	4385	7274	0	2118	8549	Phytochemical	0.33333334	1.0	0.04761905
12	C21 H21 O7 N1	400.13907	400.1396	-0.18549764	400.139	29136	35897	31185	33431	22779	15939	10262	17867	22850	102182	71316	14154	26888	15366	12342	16740	15530	30926	32015	116114	125776	65436	16284	19682	15425	125172	11557	58394	14733	8478	13391	11469	20931	13107	154450	11880	18430	12632	24172	73986	87149	16623	496	0	0	45647	66985	0	18068	13579	29793	31573	20475	0	31769	19976	11982	27137	10773	20257	0	51749	35122	22212	9284	26255	19864	20583	123079	191694	211260	12007	11368	9382	10445	12249	0	10310	22315	42484	15718	33525	14049	48527	25356	12950	22697	11315	14979	38459	24578	25852	38110	56439	63399	0	34948	36850	19427	17879	19350	14208	12280	20104	34628	19946	18019	0	17282	34402	Phytochemical	0.33333334	1.0	0.04761905
14	C21 H21 O7 N1	400.13907	400.13956	-0.18227857	400.139	46426	52645	48502	40181	30057	20487	16473	23264	35031	147496	96512	16157	35911	22753	19544	30301	26739	33874	39227	120427	163312	66985	22856	31415	20562	176566	15851	107586	17070	16775	18220	30275	31846	15185	175697	15722	23286	15663	25317	93557	122678	16415	0	0	0	60105	82547	0	23307	18709	47235	47998	26677	0	39379	25987	15218	34172	21915	25760	26005	72850	54809	31757	17539	35932	27218	30794	174281	246872	257962	20013	14954	14721	13965	18478	0	13938	30649	71788	26104	47766	20521	60384	36914	17623	32786	26645	16745	51441	38553	42138	45530	78042	97288	0	47646	38406	28906	28005	26656	39091	14891	38460	49983	26559	27052	0	25640	33743	Phytochemical	0.33333334	1.0	0.04761905
22	C21 H21 O7 N1	400.13907	400.13947	-0.19011107	400.139	23877	19446	22564	29558	21035	11729	5205	7930	20906	82114	63428	5331	22024	8840	6333	9043	9955	18188	20236	58750	74595	50918	9135	12234	8054	76508	5844	59762	9425	6856	7448	7236	10077	6684	79319	8381	13027	7821	11953	62004	69825	11793	0	0	0	46507	55206	0	9900	8260	26656	23847	19843	409	18361	15027	10507	10147	8238	8334	11237	46394	21832	14921	8849	19958	16117	8797	83829	87805	101337	9304	3355	3068	5501	5947	354	5410	13171	40616	9693	32371	8383	36743	19693	10800	12910	13003	12499	16410	21573	21054	21406	55951	64171	0	23335	22681	12588	14206	12253	15528	6262	16713	32956	9406	12184	0	10280	26886	Phytochemical	0.33333334	1.0	0.04761905
20	C21 H21 O7 N1	400.13907	400.13947	-0.16911432	400.139	49736	48074	50127	47683	40600	27424	15912	17086	43872	173750	120619	11914	46596	26103	20867	25750	17183	44683	52734	112921	164594	85738	20049	34437	18478	153670	12674	95030	17585	15449	15726	22179	25412	21291	184127	8994	34174	16543	19831	128189	120291	23086	2787	0	0	73110	86458	470	20548	13550	40101	52656	31496	0	29630	32477	20676	26184	21872	19934	26306	79500	52008	36902	16751	43819	27693	21402	151494	197914	252267	18596	12555	8805	13922	15997	0	12611	26863	82766	17041	56301	20083	104067	39953	21658	28500	24050	22641	26936	47790	54876	43506	91992	109908	1004	53076	54682	29580	30844	34483	25616	11267	29161	54904	33231	25399	0	22305	44856	Phytochemical	0.33333334	1.0	0.04761905
20	C18 H25 O7 N1 S1	400.14246	400.14285	-0.17136872	400.1424	10638	9197	10310	9948	9721	9247	6327	3098	9749	27516	11239	3958	13015	5192	3941	4613	6070	12649	8240	30736	29054	17990	3626	6357	8599	16566	3665	16172	5526	5494	3872	5916	9826	5681	21640	3464	10595	3053	6521	26463	14296	5542	0	0	0	17254	17498	0	5981	3521	9331	10329	7750	0	7215	8691	4095	9779	15064	7575	9092	20541	6750	4051	2556	10008	6538	4629	15227	22657	9005	4891	4293	4600	7152	3764	0	2821	4451	13302	3552	7429	10656	15385	4077	5740	8776	6600	5544	8462	27946	35854	12412	11719	28689	0	8909	12086	6130	7986	9103	8533	1676	12766	9552	6532	7572	0	5076	12666	Organosulfur	0.3888889	1.3888888	0.055555556
14	C18 H25 O9 N1	400.16022	400.1607	-0.13693608	400.16016	724693	694487	645841	712250	575205	521725	457159	1073390	813369	1167825	625259	472281	1051867	340304	816047	806303	654443	1203817	1083903	1725394	1807298	884782	912431	1018132	665567	1419786	360056	593128	990356	916686	708815	779807	917079	662680	1636530	942929	764422	578773	527426	1066796	721690	647075	26224	3294	1736	1055570	836051	2124	680301	871837	691868	651045	548582	4597	1394370	669062	355662	687444	989209	545477	998316	863340	869856	840675	356017	639439	527399	428980	1352269	1626046	1151140	757719	715568	997347	621799	677415	1187	618362	588679	542781	592608	617931	525003	553101	790659	510600	510739	445168	522410	444638	513443	711827	986512	475529	794883	7132	694291	937322	540799	466161	578578	920029	510344	1178328	714235	581930	642695	2439	438167	890382	Lipid	0.5	1.3888888	0.055555556
2	C18 H25 O9 N1	400.16022	400.16086	-0.24447238	400.1601	8814	7801	6310	7961	8335	0	3484	9761	7458	7396	6481	6560	15311	4191	4910	2460	7483	10364	11488	6701	14135	10206	7168	7037	1592	1291	0	3597	9998	5272	8763	8161	12083	8446	10928	6728	10050	4612	8449	7880	8638	5404	276	0	0	5009	6945	0	8935	6556	7000	6739	7699	311	10080	5955	3704	11111	6833	6056	2997	4043	25736	20792	3108	12355	7451	10486	3878	4315	5498	7370	8400	6983	854	8068	0	5593	5997	0	3776	3994	3560	2405	7975	3307	5052	6297	7730	9403	6807	6936	11085	5909	2026	0	7361	10431	6011	9103	7367	7008	5807	5765	4512	10562	5528	0	2952	32182	Lipid	0.5	1.3888888	0.055555556
4	C18 H25 O9 N1	400.16022	400.1608	-0.26470062	400.1601	15257	16121	13813	11163	12138	9456	6255	17043	28034	19656	12100	19410	41852	7441	20830	31440	14352	20770	17274	20462	26105	42424	25794	30054	6470	6207	5660	5353	12016	12076	14102	11933	34092	10640	25899	14763	33382	9435	14895	16259	19443	8869	0	264	384	15276	22762	0	12547	16495	14417	12473	11191	538	19294	14460	6238	19580	15466	15669	18623	10651	44118	30840	7715	13823	8205	12690	13035	9677	12572	25002	13059	17655	5484	11746	0	8997	7719	6011	8780	8822	9127	4348	16875	8554	7318	8054	10164	24062	11743	13609	40106	12603	15496	549	14934	15877	10981	13076	14578	30284	9247	21660	12111	24992	12135	347	5743	45946	Lipid	0.5	1.3888888	0.055555556
26	C18 H25 O9 N1	400.16022	400.1606	-0.20922418	400.16013	11211	10146	8248	9435	6171	7448	0	10976	7457	19251	7411	7750	12887	3005	6516	7419	7061	10766	9263	18273	25531	6279	8307	11769	5979	21153	2173	4513	9841	8281	7453	9362	8607	6601	12238	10738	7223	4580	6734	13432	10530	0	0	0	0	9452	10272	0	9959	13895	7003	8182	7279	0	9558	7052	4737	8796	4645	6660	6782	9319	9830	8079	3340	6560	2938	6205	22499	26700	29565	10576	9635	9977	10668	9335	0	7137	5215	0	6326	4635	4668	8769	7270	0	4932	5261	3027	4459	4234	6004	10049	3029	7322	0	8386	9546	4953	5045	0	7713	6640	7660	5881	6235	4149	0	4786	12774	Lipid	0.5	1.3888888	0.055555556
16	C18 H25 O9 N1	400.16022	400.16068	-0.13274878	400.16016	703934	658651	702266	685409	551486	533243	384821	895417	720971	1227815	580117	491809	1061652	309296	775351	762434	496773	1119799	1091448	1663657	1457045	696673	851425	909499	552612	1207287	319527	444176	788271	784224	669920	675750	721346	652455	1288633	802052	768465	514824	417475	1019164	678373	560364	25144	4387	3339	899974	715690	3195	716856	874303	698221	711013	533967	4603	1132762	628193	349419	630455	674054	462735	800751	719476	830305	732882	279870	633776	508585	383904	1243692	1508461	1137137	781548	743896	897455	543077	669600	2685	490176	566765	435048	484409	504133	468612	592842	724499	468639	450571	434852	474025	374201	448797	686890	932948	406185	761595	7318	667556	903026	507140	395299	538086	821795	450224	834303	460735	612583	616336	4016	416251	896558	Lipid	0.5	1.3888888	0.055555556
8	C18 H25 O9 N1	400.16022	400.16077	-0.20177099	400.16013	128361	267886	113119	258768	75621	63503	73885	353874	100963	178197	100064	201732	140874	39989	238138	164775	259652	119901	156946	228365	242386	315432	136341	357744	74874	110418	76194	65693	276248	281398	223468	259330	256674	243644	409406	294138	130458	193202	218922	158773	320330	88717	3546	395	559	178122	182367	347	277862	320256	250438	237982	71300	968	160062	94108	61794	120888	285666	129342	169296	122496	130009	106681	51932	90452	147260	222066	153931	124766	152183	266160	245626	293422	91807	243356	319	184228	100005	85475	96726	190598	201330	78849	109749	67329	82896	69485	82946	214850	71104	112752	351178	97717	137984	1022	129541	149742	81787	81536	88016	296786	175640	211700	106520	220818	98042	0	150602	277502	Lipid	0.5	1.3888888	0.055555556
10	C18 H25 O9 N1	400.16022	400.1607	-0.19530596	400.16013	304680	293899	268677	266519	174923	154275	184302	422186	228579	415265	233722	237154	317106	98382	284904	348375	256022	348410	375593	573399	600987	339642	334282	446822	186685	406654	167801	170225	363754	357481	284357	306303	324464	278430	513987	365223	313937	215247	232221	381372	335009	209951	9108	1712	919	411704	386211	1105	308933	396444	289444	283155	171479	2585	370514	207185	120794	292929	361053	282642	397720	257158	254350	248310	115392	220806	172206	245115	444000	413541	391244	331031	325375	400369	229015	282529	795	228108	243765	178148	250697	232847	252415	179132	262202	170944	196367	162805	193495	210799	181944	249127	405680	202067	316131	3083	277272	386079	165833	162988	205877	353103	221643	466281	254399	252208	208915	1078	174293	284208	Lipid	0.5	1.3888888	0.055555556
28	C18 H25 O9 N1	400.16022	400.16058	-0.22370613	400.16013	9747	8938	9432	9220	6703	6771	4316	12363	9165	19961	7777	4828	12413	2782	4684	10892	9602	10336	10500	26411	27545	5977	7906	13556	5392	20699	5484	8027	10162	11516	10691	9477	10285	9048	18108	9847	9512	5330	7849	13090	15581	4883	1128	0	0	12373	9508	0	10402	11405	9274	9790	7908	0	7066	6529	3832	9167	6383	6122	11297	8627	10305	8491	4628	9278	6472	7626	25985	37567	37151	11969	10274	11266	11221	7836	0	6722	6568	2803	6856	5738	7319	11467	7322	5454	5862	5051	6027	4854	6798	9561	10841	2939	6833	0	10178	8859	7274	5035	4630	8401	6356	8870	8645	7396	5344	0	4447	9806	Lipid	0.5	1.3888888	0.055555556
4	C17 H25 O8 N3	400.17145	400.1721	-0.220842	400.17136	15517	17549	13898	13449	9407	8179	6040	17282	13890	8872	4784	9062	17113	5706	13555	16001	16082	14504	15454	9354	9532	20764	14500	19722	9227	1146	6468	3560	15079	11777	12079	14761	16376	12210	15365	13979	17240	11433	22682	8836	7403	9847	0	0	0	9442	9681	0	16506	13642	12281	13173	8947	0	18210	9519	6622	17218	14022	9595	16807	6588	16476	14462	7069	15083	11239	18637	2045	3290	2495	13065	12040	12995	5544	10106	0	9135	11839	6807	9110	6799	7367	2805	11299	7881	11037	10481	11822	20088	24153	26899	35007	8243	6669	0	11500	16420	7584	9954	9594	16596	10195	16840	6639	16265	13358	0	7580	19798	Peptide	0.47058824	1.4705882	0.1764706
2	C17 H25 O8 N3	400.17145	400.1721	-0.23636596	400.17136	13062	15352	10541	11818	10362	0	8656	14989	9985	5915	4441	10235	19476	4640	11302	3807	15167	16927	17097	6851	9075	16723	13533	12285	4894	473	1549	5617	16247	8348	14424	11644	24177	12960	9658	12784	18453	10088	18170	7470	7586	9493	0	0	0	6698	5723	0	15050	8756	12047	11426	12560	0	15763	7111	7291	21101	7874	7181	6167	4035	18464	14401	7647	18724	13632	19777	1191	2555	2415	14197	14255	10950	1666	10324	0	10123	11353	3899	9161	4292	5049	2194	8849	6226	12521	13678	12901	27700	22010	17444	31822	6471	2202	0	12921	14083	5942	8087	7815	11524	9298	8392	3996	22297	7511	0	8877	22399	Peptide	0.47058824	1.4705882	0.1764706
12	C17 H25 O8 N3	400.17145	400.17194	-0.200288	400.17136	575514	580482	616778	569843	435035	341846	459677	1126971	560677	795781	498187	481897	652793	231053	781398	625595	643229	884857	952401	1354588	1431758	718130	799009	789586	527972	1026292	327394	441117	906510	692049	796079	601224	825699	600665	1319261	837270	691953	571370	560367	865529	728272	482823	16648	2447	1630	878029	724864	1313	637441	771128	507888	538967	446735	2945	1012061	495604	329980	634077	737069	526805	621276	665283	694099	606873	268279	509525	443106	541252	1172132	1185654	1145736	652820	672682	835397	458446	580786	715	602531	567911	413398	601532	525482	528787	475843	582814	409994	516154	333651	458625	602095	358933	700924	876387	458439	554852	5110	583022	807326	448451	334443	424434	637383	517558	770094	529273	601002	508447	1667	473928	712281	Peptide	0.47058824	1.4705882	0.1764706
6	C17 H25 O8 N3	400.17145	400.17203	-0.2397018	400.17136	27664	29230	30492	28489	12556	12988	17408	33815	19537	19767	9017	18061	26408	5310	27630	36487	24508	26952	36379	25611	21530	42215	25984	42069	20106	993	15468	8111	31744	28342	35054	28570	47594	27432	32141	29210	42758	25841	28883	18136	14321	15441	0	0	0	20948	17218	0	37725	24065	32258	31026	17635	0	33019	9955	12200	42297	27473	13552	41861	14394	24130	22297	11461	24329	18593	35516	3546	10485	4812	26959	25716	26491	13854	22850	0	16712	21774	8892	14928	11166	12783	6344	14573	16326	22511	20061	21558	46561	42525	53629	71803	13327	13627	0	24772	26683	8158	9857	10052	37700	23374	35402	10451	40372	13425	0	17197	30220	Peptide	0.47058824	1.4705882	0.1764706
18	C22 H25 O6 N1	400.17548	400.17587	-0.2539389	400.17535	78729	68447	71636	67159	37384	36618	35932	48982	39133	163904	112715	29066	46516	30620	32379	67992	48892	46688	62847	177445	197290	105278	39719	64740	32821	217446	39860	116921	41244	40304	41354	50556	59689	49680	154921	42967	60501	36827	50248	141521	154846	36558	805	0	0	79089	72602	0	60204	47143	73848	73072	39078	347	34470	30368	27580	68888	37219	51173	62234	92420	41463	28610	22792	54439	37351	62579	204346	254259	331040	42206	38922	38534	40858	47620	0	31650	61679	82531	33508	52915	37174	102060	40106	30282	53293	42147	42069	82514	84867	77924	104809	73949	105259	0	74737	79760	37087	28821	35310	61399	30608	66837	39351	52655	28102	0	44559	41486	Phytochemical	0.27272728	1.1363636	0.045454547
20	C22 H25 O6 N1	400.17548	400.17584	-0.20982207	400.17538	67802	64310	70755	59710	49344	50046	32110	51483	39578	151337	119552	27173	51749	33601	35321	67963	50556	49110	66699	172656	185017	100368	37884	68871	40059	221152	23509	128143	47556	38447	31851	46086	52569	49377	159465	45306	61564	27870	38679	139351	157038	36044	1643	788	284	81060	95430	461	46459	41363	73220	74207	42254	503	38607	32271	27062	57897	34799	48618	50599	87881	47923	45310	19511	50435	45975	56057	205779	261649	301095	45233	38341	34105	41449	39287	0	31290	54869	76632	31388	51416	40964	104398	44436	29732	50263	46898	46910	75215	89500	76745	99374	78481	100991	0	69005	65868	33968	37019	38760	58558	30248	76616	57837	58199	36457	0	39406	53167	Phytochemical	0.27272728	1.1363636	0.045454547
22	C22 H25 O6 N1	400.17548	400.17584	-0.20507501	400.17538	47881	45723	41321	43009	42166	27769	13400	31821	24796	101445	81712	19541	34430	26548	23683	41305	31845	34712	38392	91687	123374	56413	25587	43402	28548	153631	14314	81582	27634	27309	21979	31241	36404	33446	92947	28992	34603	16143	27298	97899	104572	27269	0	0	0	65497	63805	0	28089	27649	42677	38649	25734	522	27097	27442	19669	35537	28239	29725	40012	61365	34825	25765	16864	39427	36363	27614	139767	172402	192714	30389	29279	16965	21108	21088	0	17162	33769	55664	21672	37883	26201	62174	32561	22427	32881	34522	30407	45399	47756	51162	61690	60626	72831	0	43918	44576	25566	22398	26079	39902	18102	45548	36349	39837	20401	0	28309	33602	Phytochemical	0.27272728	1.1363636	0.045454547
26	C22 H25 O6 N1	400.17548	400.17575	-0.26025936	400.17535	8611	5407	4793	6249	5131	3294	2011	6836	3571	10077	7329	3426	4350	2041	0	9095	6167	0	5263	7675	12707	13640	0	14768	0	12145	0	9151	0	0	4352	0	4454	4293	7273	0	4978	3186	3710	10111	11388	0	0	0	0	7175	9448	0	4989	0	6470	4028	4813	0	4775	0	0	9036	2890	4026	10057	5236	4489	4748	0	5535	4206	4984	18965	12874	24429	6956	4589	0	0	4689	0	6592	6812	6769	4760	3128	2584	5836	5346	0	5147	4805	4197	21883	3983	2880	18065	7552	8130	0	7677	6291	2613	4261	4914	6812	3888	0	0	10829	0	0	3963	3716	Phytochemical	0.27272728	1.1363636	0.045454547
28	C22 H25 O6 N1	400.17548	400.17584	-0.2297325	400.17538	4825	4599	5295	6230	2250	1429	2028	6866	3499	6216	4966	2658	2192	1621	4720	13527	5267	0	5399	2121	0	7965	4719	17062	4532	2509	0	4416	3726	3450	4429	4120	5252	3473	3675	5980	4563	2443	5929	2721	5037	3266	0	0	0	2402	2954	0	4187	6531	5461	4475	2804	0	5871	0	0	12118	1365	1999	11040	2740	884	2447	1349	4738	3515	7749	5520	5990	10895	3186	3510	3351	4126	2643	0	3294	6422	4459	4420	0	0	2286	2856	0	4940	3189	3398	35890	5349	5171	22839	4041	3545	0	3631	4973	1820	2352	2503	7013	2917	2999	0	12414	0	0	7387	3052	Phytochemical	0.27272728	1.1363636	0.045454547
6	C22 H25 O6 N1	400.17548	400.17603	-0.25768188	400.17535	10583	10024	12161	12463	5068	6889	6249	11444	5284	35636	15075	5883	4850	5484	7091	11595	7187	6827	8391	32250	39013	14973	7372	8641	5808	37674	5770	13759	10175	8623	9165	9493	9526	9886	31663	10800	7968	5500	8103	18925	18257	6031	0	0	0	15845	20493	0	11108	8546	12236	12558	5340	0	6614	2940	3594	7937	0	4479	7271	10354	4750	4543	3704	4920	6460	10441	28745	46152	52551	8717	8205	8143	6687	7951	0	5105	8997	11978	5829	5163	4086	14580	4729	4079	7242	6912	4939	11393	10652	7304	15025	16675	21364	0	10602	10096	3586	2610	2493	11214	4987	11322	10856	7684	2677	0	6067	5753	Phytochemical	0.27272728	1.1363636	0.045454547
24	C22 H25 O6 N1	400.17548	400.17584	-0.1900567	400.17538	21596	19781	16351	15577	17149	11182	5267	12284	13420	46307	41719	9038	13321	6614	5431	18110	11909	14517	18501	37496	44892	27299	9706	19750	10338	56867	3789	41752	12345	9125	11366	9474	13580	15230	38350	14406	11945	7494	10887	39209	46543	8891	0	0	0	26125	28568	0	14596	7204	18261	16600	15939	0	11389	10928	6451	15617	10179	8303	14352	26708	11696	10629	6859	20474	16295	13368	61081	59907	80518	11328	11908	6869	9128	8643	0	7676	12379	18350	10645	15638	7397	30076	15672	8076	12706	11482	12058	20122	18470	16179	27937	24270	30080	0	18592	19876	8334	14198	10833	13588	8502	16353	16545	15438	11373	0	12854	14095	Phytochemical	0.27272728	1.1363636	0.045454547
14	C15 H29 O11 N1	400.18134	400.1818	-0.28252125	400.1812	7873	7047	7757	0	10935	5403	0	16160	7268	3651	2878	4511	4400	5114	13221	7729	4200	7018	5835	8023	5591	13943	7930	12886	13943	2222	10010	0	12861	10269	12443	11000	14791	9303	7710	8973	13063	9244	5177	6229	0	6323	0	1139	677	4815	0	1589	9244	11122	7745	5280	4681	574	8717	5161	2821	11296	0	0	0	4445	2926	7458	2571	6076	5418	7323	0	0	1775	10137	7102	10538	6134	6412	565	6823	6687	0	6077	5014	7709	4229	1763	5238	5478	5855	5114	6438	13410	18894	22141	0	5076	1054	9204	7457	4683	4109	4604	9451	0	12902	0	9970	4202	1311	8643	6942	Unclassified	0.73333335	1.9333333	0.06666667
12	C15 H29 O11 N1	400.18134	400.18182	-0.0990373	400.1813	0	0	0	0	11115	3406	0	0	6848	0	0	0	0	13566	0	0	0	0	0	0	0	0	0	0	1273	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3086	1887	1086	936	0	0	1547	0	0	0	0	5304	1177	2675	1720	11321	0	0	0	0	0	0	0	12985	3673	6902	0	0	0	0	0	0	0	0	0	639	0	0	0	0	0	0	0	5524	3655	0	1248	0	0	3100	0	0	0	0	1031	0	0	4047	0	0	0	0	0	0	0	20433	1520	0	0	Unclassified	0.73333335	1.9333333	0.06666667
10	C19 H29 O8 N1	400.1966	400.1971	-0.12426525	400.19653	404171	416803	360379	381088	49907	84037	318868	627586	97378	147922	134332	860385	85361	28416	161239	657028	396264	99932	251439	498001	303516	118586	153776	219889	130866	116988	510410	91994	1040371	1670821	1097806	1076928	553502	557456	219472	960140	414906	140014	430083	121079	119240	246575	4986	955	528	208059	287125	6074	2127444	640472	409145	393007	72928	4720	153190	64054	257417	598323	246210	371792	473659	82886	75356	247991	404683	82875	197788	375034	101263	143881	112290	492578	796122	379892	1481726	1197275	0	522938	162061	63584	149504	146074	337714	66623	105570	84037	119135	93750	517309	107978	98109	117404	183972	60277	105265	10681	362910	414531	64463	57669	76230	611631	657598	1287048	199881	125000	64877	1163	120557	85376	Lipid	0.42105263	1.5263158	0.05263158
6	C18 H29 O7 N3	400.20782	400.20837	-0.24087927	400.20773	12611	11908	10053	12103	5132	4829	6843	12661	6543	5458	2154	5207	9036	4279	11693	10637	10401	8316	11145	6314	5569	15684	8548	13892	14098	0	7160	15021	15637	11304	13767	13029	18463	10250	12214	12305	17961	9053	12209	6251	3289	5421	0	0	0	7559	3163	0	16558	9052	11610	12056	7528	0	10014	2354	3276	15752	8999	1847	16459	2628	6736	5679	2121	8847	6083	17611	0	3421	0	11574	10282	11595	5986	9754	0	7124	8099	5895	4290	3506	4203	1968	3970	4292	11408	7622	8034	16409	61923	60834	28743	3250	5275	0	12086	9900	3537	3770	2589	15096	5552	11252	0	14874	3192	0	8432	11069	Peptide	0.3888889	1.6111112	0.16666667
12	C18 H29 O7 N3	400.20782	400.20825	-0.15590733	400.20776	13884	11776	11202	11308	1111	1910	0	4829	2124	13653	59054	1799	3260	0	3487	3649	2477	3215	3653	0	1531	6046	2622	5111	7274	0	2855	102501	5435	2730	4215	6166	6012	2587	7655	3443	5360	4301	2936	1625	0	2305	0	0	0	4923	0	0	3403	3286	10636	17541	1716	0	0	0	1210	7088	0	0	0	0	1438	1164	1439	4723	1777	4394	0	0	0	3787	5663	2851	2169	4872	0	3579	0	170967	2551	1104	1562	0	1908	2662	2911	2396	3125	5671	658975	355642	7394	98052	28442	0	16902	15402	0	0	0	4052	2686	0	0	6928	1368	0	4808	3513	Peptide	0.3888889	1.6111112	0.16666667
10	C18 H29 O7 N3	400.20782	400.20834	-0.17182344	400.20776	8336	5872	6115	6771	2667	3430	5485	10685	2172	3108	0	4710	4679	0	7614	9375	4464	6403	5843	4427	2041	10658	3970	7763	10717	0	5203	9912	9882	3814	5903	8812	10103	9275	2859	7290	10805	4693	5525	4303	0	2234	0	0	0	5773	2314	0	8297	3445	8224	5852	4058	0	4771	1579	1564	12059	2708	1694	0	1139	2077	1569	2035	4898	3476	6748	0	0	0	7090	6468	6285	3075	3095	0	3960	6148	0	2679	1693	1819	0	1783	2075	5391	3030	4112	8163	55094	44885	21434	1266	3286	0	7680	7418	2465	2622	1991	8543	4216	12236	0	6751	2053	0	6805	5684	Peptide	0.3888889	1.6111112	0.16666667
14	C18 H29 O7 N3	400.20782	400.20822	-0.1189723	400.2078	0	0	3231	0	0	3624	0	5293	0	2160	0	1766	1576	0	2712	7850	0	0	4084	0	0	0	2489	7747	5290	0	1315	10048	4417	1267	3437	0	5858	4402	0	3908	1529	2629	3384	0	0	0	0	0	0	0	0	0	5644	0	0	2947	1153	0	0	1071	790	7515	0	0	0	0	1649	0	0	2019	0	1809	0	0	0	3593	2653	2544	1616	3632	0	1903	4049	0	0	0	0	958	1334	0	4168	0	0	0	36539	19890	11217	0	0	0	0	2396	1026	0	1828	0	1793	0	0	3167	0	0	2279	0	Peptide	0.3888889	1.6111112	0.16666667
12	C23 H29 O5 N1	400.21185	400.2123	-0.30397233	400.21173	17471	19087	19442	18472	4661	7360	11129	24269	4308	42967	29207	16076	2765	6402	11873	24005	23420	6145	10502	57401	67674	6917	15176	18635	14320	68822	15001	25509	14599	17949	17163	21711	31082	15553	47401	21539	27861	13495	26940	37390	23685	8786	0	0	0	16131	17022	0	20961	17681	16641	16731	8002	0	3406	2859	4757	24443	0	0	15490	9494	2510	5479	5787	5456	11582	26022	41141	82167	79692	18165	19020	18457	20327	17730	0	16276	12551	0	10364	2550	2402	22236	3501	3876	13509	7935	10202	44035	25712	4991	29278	15535	28996	0	21395	15326	4368	2877	2423	20183	11745	8481	0	31605	3278	0	13056	4038	Phytochemical	0.2173913	1.2608696	0.04347826
28	C23 H29 O5 N1	400.21185	400.21225	-0.20690751	400.21176	13652	13237	15982	12040	3668	2692	18004	28130	2537	3406	5615	9533	1832	3273	13231	53714	48483	4063	7516	0	3484	14077	13682	39155	16346	3979	13614	6052	26117	26524	18735	24455	29141	18825	3134	32557	14427	13645	47557	4732	11144	9346	0	0	0	7602	8943	0	20590	26447	17970	15860	6874	0	1789	2266	2941	42386	7271	16498	39838	3466	2470	4144	4156	3758	8583	47367	7041	3809	9411	13577	15860	25050	38498	20428	0	11897	24973	9867	12955	4982	12236	3603	3562	0	38515	9092	10814	101373	17613	19517	59066	9248	7663	0	14470	12972	3050	4870	3776	33181	11901	13867	4242	46705	0	0	25210	2690	Phytochemical	0.2173913	1.2608696	0.04347826
26	C23 H29 O5 N1	400.21185	400.21225	-0.24644643	400.21176	14836	13448	17754	14501	10488	7376	6250	20842	5404	16971	19860	11682	8117	7380	7777	25990	13906	9925	11871	20406	20249	23045	12605	27123	15630	30106	6886	21964	16809	20477	12391	17121	19528	16771	13658	21066	18517	8353	14011	24498	32236	9812	0	0	0	20045	14969	0	20039	11294	15210	16954	11159	0	6641	7060	6218	23205	9194	10142	23268	12693	4762	7232	0	10571	10040	20514	35571	26034	33816	17279	16384	13451	15867	14561	0	10574	18760	16909	10802	13838	10056	20739	7185	0	24513	13803	8738	40118	28219	25193	41545	19160	25802	0	13676	17655	5818	11026	11107	25428	9399	18331	8707	26116	9815	0	13186	8186	Phytochemical	0.2173913	1.2608696	0.04347826
26	C20 H33 O5 N1 S1	400.2152	400.21466	-0.30608544	400.2151	0	0	0	0	0	0	0	0	9203	0	0	0	0	0	0	0	0	0	0	0	0	2074	0	0	0	0	0	0	0	0	0	0	0	0	1738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2282	0	0	2969	6389	6063	0	0	0	0	0	0	34796	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.25	1.65	0.05
28	C20 H33 O5 N1 S1	400.2152	400.2153	-0.21884662	400.21512	3603	2746	3036	3689	15672	7185	0	0	40906	0	0	0	0	8020	0	0	0	3345	4286	0	0	0	0	0	0	0	0	0	0	0	1003	1200	1401	0	0	0	0	0	1671	0	1690	4391	0	0	0	0	0	0	1882	0	3625	3765	7707	0	0	0	2700	2512	0	0	0	0	0	0	1514	1956	4379	1431	0	2408	0	0	0	0	0	0	0	0	0	0	0	0	1246	1087	0	0	2361	1285	1984	4051	5560	6477	0	0	0	0	4914	5721	372961	0	0	2481	0	0	0	1275	41326	0	0	4500	Organosulfur	0.25	1.65	0.05
10	C16 H33 O10 N1	400.2177	400.21817	-0.423079	400.21756	4923	4188	5222	5199	1812	1514	2222	2030	2029	29512	43606	1588	0	3847	1177	3601	5069	2216	3431	2460	0	0	1805	5193	0	0	18395	91489	3408	2508	1438	2201	1716	0	1746	2490	3589	1462	3907	3201	7228	4816	4059	4307	2933	7448	5497	2755	3561	2569	4767	5690	2768	3242	0	1002	1337	5488	4838	3175	22400	4838	14081	1855	1461	3012	4844	7869	9344	4036	6415	1010	1425	3021	1337	1642	3052	0	1186	96862	2845	5569	0	0	1090	3140	1619	2730	2570	3987	11120	5986	3524	5162	9404	2625	5751	5080	1773	1905	0	2582	1784	4918	84245	2003	1302	3511	0	4101	Unclassified	0.625	2.0625	0.0625
2	C17 H29 O6 N5	400.21906	400.21973	-0.054148175	400.21902	3150	2635	1509	2504	0	0	881	1523	600	0	2065	873	693	567	1024	429	2014	798	0	0	0	760	1330	2315	1343	0	0	18112	1369	426	1409	1790	2182	1175	374	1606	1675	1132	2068	0	0	0	0	0	0	0	0	0	1534	691	1794	2499	857	0	2180	400	427	2962	0	0	0	0	807	684	0	1387	772	2428	0	0	0	1335	865	1195	0	1285	0	1301	1106	141900	606	0	0	0	0	0	3105	1066	0	4075	45842	16396	3352	8439	0	0	1970	1651	684	356	290	753	1042	320	0	1353	377	0	1315	1147	Peptide	0.3529412	1.7058823	0.29411766
4	C17 H29 O6 N5	400.21906	400.21982	-0.057702474	400.21902	0	0	0	1148	0	890	485	822	363	0	0	0	1381	0	876	1343	716	553	592	0	0	583	0	472	1231	0	0	0	0	623	762	0	659	0	0	628	0	566	0	0	0	446	0	0	0	0	0	0	0	0	752	0	532	0	790	351	453	755	0	0	859	0	0	468	0	785	272	0	0	0	0	0	0	455	0	605	0	0	745	36539	453	0	0	0	371	0	1049	0	0	1173	9233	2402	1776	1342	0	0	0	0	525	0	621	0	0	0	0	821	448	0	0	1136	Peptide	0.3529412	1.7058823	0.29411766
8	C20 H33 O7 N1	400.23297	400.2335	-0.25726882	400.23288	12182	15097	10556	9913	3897	5217	7875	17418	2842	7619	2624	8716	5967	3513	11531	14817	9980	5373	10277	11810	9935	16261	8642	12963	12734	3825	8271	5322	16043	16061	16712	16686	16422	11164	14888	15710	17784	8952	11481	12083	5555	4331	0	0	0	7998	6636	0	19209	12258	7945	10638	4556	0	5603	4294	2637	16718	1608	3595	13011	3354	5471	6514	2908	5450	5696	14207	3339	7591	5733	11451	13879	17899	11672	15087	0	11095	7423	4785	5835	2042	3148	5003	3561	0	13276	5044	6348	16855	26194	20919	25226	4943	10496	0	15111	12281	2888	4234	4719	19105	7439	12436	0	13895	2031	0	10026	4767	Lipid	0.35	1.65	0.05
26	C20 H33 O7 N1	400.23297	400.2333	-0.23594317	400.23288	7903	7011	7441	7157	10703	5220	3315	7390	8815	7841	3868	4390	24681	7705	0	10053	6584	11995	15131	8855	7665	3346	0	0	6750	7031	5152	5837	12229	0	5498	7203	8687	8822	10433	8568	10214	0	6928	7342	6916	7375	0	0	0	0	0	0	7543	0	8755	7758	6087	0	11724	9752	4954	6404	3545	3375	7582	4700	13599	7772	3105	19484	8471	6059	6309	10934	11031	5853	6391	7691	0	7412	0	3337	5892	4864	3818	0	4262	4180	0	0	11768	5061	6273	6647	9925	9822	7675	0	5717	0	8784	5981	4915	15044	15796	10419	4162	0	0	4656	5770	0	5098	14510	Lipid	0.35	1.65	0.05
12	C20 H33 O7 N1	400.23297	400.23343	-0.29988533	400.23285	6955	11689	10506	11914	12951	7084	12528	32877	7630	6321	3847	11901	8914	6664	17247	11782	24892	11379	16668	12555	14730	12520	14563	17504	18639	11416	9335	0	24489	17686	23293	18749	22710	15061	15297	23957	17972	12924	22489	9871	0	11825	0	0	0	13064	7831	0	17438	20431	10495	12031	9151	0	14134	13060	6176	24609	8602	8651	0	5908	9716	10174	6437	8334	8205	20890	0	11891	7377	12981	17082	22800	12487	15078	0	16175	17358	0	13465	6496	9297	6106	14528	7993	18306	4460	9147	28983	12049	24460	20638	6065	7086	0	13784	14875	7411	16381	21365	15133	13389	13344	0	17124	10759	0	16229	11071	Lipid	0.35	1.65	0.05
6	C20 H33 O7 N1	400.23297	400.23355	-0.26384094	400.23288	9374	9989	9588	14179	3549	3353	13160	19181	4651	7361	5452	6609	5880	3393	11484	16908	7875	4738	5537	8689	8752	17645	7676	15166	15184	3473	33970	8387	11592	12312	12786	16122	17291	11808	12715	14245	14301	8336	9886	5880	7985	4182	0	0	0	8470	12608	0	20963	12870	8337	14270	3582	0	4878	2598	1609	20731	3138	1284	14439	7146	3923	3154	3033	4010	6420	11476	25340	11189	30005	11347	10177	14233	6790	11007	0	8792	6582	18317	3970	2232	3350	3637	3493	2994	17446	2354	4367	22234	30246	18269	19293	8959	12900	0	11911	10856	1658	3259	3374	17158	6368	12066	0	11635	1564	0	10793	4571	Lipid	0.35	1.65	0.05
10	C20 H33 O7 N1	400.23297	400.23346	-0.30039167	400.23285	11486	16690	12646	10951	4369	7228	11760	26532	3648	11960	4144	9895	7408	3957	13547	19214	15674	7136	12987	14920	12081	15424	9638	20259	14411	8119	8596	0	17474	19013	18529	18292	20603	15358	14414	18113	20193	11087	16060	7680	5856	7105	0	0	0	10402	4472	0	22882	18308	12754	11160	6781	0	8159	6799	3482	23096	5758	3490	17167	3964	6397	6826	3977	6791	5566	15876	7870	10320	4414	14780	16006	17703	10947	14758	0	11156	9556	0	8134	4144	5609	5855	6168	3022	13843	4528	6405	16373	24193	17675	25310	5985	11945	0	11540	13317	3894	5819	8788	21200	9664	17071	0	11902	4987	0	10177	10351	Lipid	0.35	1.65	0.05
10	C19 H33 O6 N3	400.2442	400.24423	-0.31227595	400.24408	0	0	0	1222	0	0	0	0	0	0	0	0	1072	0	0	1464	0	0	0	0	0	0	0	0	1610	0	0	0	0	0	0	1117	1947	1439	0	0	1390	853	0	0	0	0	0	0	0	0	0	0	0	0	1436	0	0	0	0	0	0	1569	0	0	0	0	0	0	970	0	0	0	0	0	0	0	0	1274	0	878	0	0	0	0	0	0	0	0	0	0	0	0	0	1639	20024	10230	2005	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1163	0	Peptide	0.31578946	1.7368422	0.15789473
22	C24 H33 O4 N1	400.24823	400.2486	-0.27339676	400.24814	14038	12026	12372	8578	7632	2545	9765	10998	4445	7594	10201	6296	2664	0	3699	19673	25335	0	8088	8939	13990	11444	5010	13433	10128	38518	9278	13270	10204	13221	6873	15353	13068	12119	10929	14907	11978	8215	19893	10898	22616	9280	0	0	0	7493	10983	0	13579	11847	12237	12300	4073	0	1922	5079	3933	13970	3721	15020	13726	6669	2530	2457	4795	3432	6187	24455	20937	17246	25854	10323	9852	9459	16671	12353	0	5198	8035	11884	6541	5521	9661	10588	4310	3983	13365	8298	6260	44117	16815	12845	22236	13128	13383	0	11584	9203	1950	2139	3598	19716	7115	10583	5882	15503	5017	0	14072	2058	Lipid	0.16666667	1.375	0.041666668
12	C24 H33 O4 N1	400.24823	400.24866	-0.28667405	400.2481	12945	14161	13108	11463	1054	2919	7070	38471	0	10809	12770	31340	0	1153	15077	34659	11288	0	4360	22359	18604	0	12272	27563	13274	12073	9761	9017	33204	33597	37241	40964	35439	36896	11958	49023	32900	15926	7755	10978	0	9510	0	0	0	4234	0	0	37999	39375	8858	15573	2408	0	0	0	4146	25731	0	0	21315	1765	0	0	2940	0	7013	24741	0	14201	8860	43779	37690	46027	29693	30095	0	29950	3252	0	6776	0	0	7423	0	0	3281	7350	7053	27410	13395	0	26605	3536	13394	0	16478	17240	0	0	0	30756	22697	6176	0	37274	0	0	6751	0	Lipid	0.16666667	1.375	0.041666668
24	C24 H33 O4 N1	400.24823	400.24857	-0.27334902	400.24814	14908	16077	22255	13129	13433	6841	10246	16460	8985	10142	26761	13147	6088	6794	11321	28710	23571	9732	9469	25553	23924	11521	8686	23329	18456	56121	8235	26623	19129	23567	15347	22733	17451	20851	15404	23894	20418	13489	24998	20295	32587	9770	0	0	0	13764	16557	0	16022	19590	16069	15438	12214	0	4752	9301	6136	19844	10673	13764	27581	14982	4499	5419	4242	9259	13963	31560	43899	30666	48434	16754	14652	15651	21045	16337	0	12389	20266	19480	10621	12363	10511	16721	6935	5459	21105	12055	10695	53017	23514	20442	34256	18108	19998	0	17470	17181	6582	8178	7555	26935	10495	22903	12062	23067	9502	0	18539	6887	Lipid	0.16666667	1.375	0.041666668
26	C24 H33 O4 N1	400.24823	400.24863	-0.17890601	400.24817	10829	10588	12037	8363	12947	6730	6916	6236	5133	8020	17436	5332	4750	3954	0	10772	8164	6526	13173	15927	10588	15237	6564	10591	14334	37896	4773	17415	13205	11913	9253	12159	11717	9703	7707	14596	12075	8017	11563	12208	21753	7377	0	0	0	6410	8348	0	9504	10276	15427	12416	6456	0	7296	0	4141	10281	7695	6395	13326	8082	4976	6393	2392	7287	8250	12816	32569	19515	25311	9731	11082	10517	0	10158	0	7443	27956	31821	4972	7240	8616	13067	8409	0	29909	6734	7834	30130	19022	19333	23478	29728	11945	0	11693	8967	6231	11692	6153	16788	4086	7493	8727	13037	8805	0	15699	3739	Lipid	0.16666667	1.375	0.041666668
10	C24 H33 O4 N1	400.24823	400.24866	-0.31042922	400.2481	6159	5846	5484	6883	0	2326	4039	16591	0	7494	3963	9267	0	0	8237	18520	7494	2385	2490	15166	8534	0	4521	12319	9617	5848	6980	5651	17370	16045	16646	20302	15654	12759	7169	17840	22749	7949	5286	6278	0	5397	0	0	0	2118	0	0	18864	15233	6888	5167	1083	0	0	0	2537	15381	0	0	17774	0	0	0	981	0	4028	15046	0	5839	5770	16023	15940	16999	14144	17427	0	9239	4335	0	4114	0	0	5333	0	0	2513	4122	4735	20188	11179	0	24484	3309	14489	0	7334	5227	0	0	0	14788	5573	5866	0	17779	0	0	4296	0	Lipid	0.16666667	1.375	0.041666668
12	C17 H37 O9 N1	400.25412	400.2547	-0.26573178	400.254	2591	3063	6142	3973	0	0	0	0	0	22120	49659	0	0	0	0	0	0	0	0	1910	0	0	0	0	0	1065	1443	0	0	0	0	0	0	0	3765	0	0	0	0	15308	4622	1208	1459	828	1020	13940	24256	820	0	0	6965	6221	0	3595	0	0	0	0	145745	0	0	45909	1520	0	0	0	0	0	0	0	2976	0	0	0	0	0	1252	0	0	17650	0	0	0	0	0	0	0	0	0	0	0	0	0	11996	2136	897	6560	4685	1212	917	0	0	0	7240	936842	0	0	957	0	0	Lipid	0.5294118	2.1764705	0.05882353
10	C17 H37 O9 N1	400.25412	400.25452	-0.34123662	400.25397	0	5004	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1935	0	0	0	0	0	0	0	0	0	0	0	0	3486	0	0	0	0	10303	3588	0	1366	0	0	4602	11326	0	0	0	0	0	0	0	0	0	0	0	75299	2050	9378	13633	3286	0	0	1054	0	0	0	0	3549	0	0	0	0	0	0	0	0	17117	0	800	0	0	0	0	0	0	0	1803	0	1628	0	0	1361	0	0	0	0	0	0	0	0	2517	0	0	0	0	0	0	Lipid	0.5294118	2.1764705	0.05882353
14	C17 H37 O9 N1	400.25412	400.25455	-0.25037968	400.254	39292	31340	32895	38399	22270	12175	18068	11185	14766	48499	47933	12231	19244	18876	9391	9278	27469	14905	7155	39211	17808	37637	9347	12871	12054	4855	51741	71929	9434	11667	10582	11036	19144	9938	16671	9887	13513	13585	35052	45231	35404	10838	31811	21965	14676	85269	57152	23827	9472	11647	36183	32483	16929	25045	7963	10329	16698	22896	117618	38763	140581	68424	127262	7260	33256	33858	25818	26881	45260	84912	41431	12560	10930	9686	4033	14901	18513	10468	9555	89699	11117	17470	7850	11735	12606	22596	7643	28500	12531	25270	45144	36625	26747	30609	24712	20067	36186	36937	17739	12665	10066	17676	12359	47327	1876210	14620	10427	23974	11234	30679	Lipid	0.5294118	2.1764705	0.05882353
16	C17 H37 O9 N1	400.25412	400.2546	-0.24087504	400.254	2854	2359	4264	7200	6444	4098	2121	1584	2541	2775	8824	2433	7583	4165	1555	0	4610	2627	0	0	2847	0	1620	0	0	0	2424	2623	0	2671	0	0	2647	0	0	0	0	3105	4256	0	3628	2583	14618	6993	6076	4130	7864	7027	0	0	2963	3527	4750	11630	0	3243	4111	0	20532	7106	0	6298	6441	2272	13549	5233	10522	2466	0	0	1371	2048	2873	2060	0	0	6170	1575	2065	5294	1651	3293	2413	0	3594	10114	0	8927	2209	0	0	4869	0	4741	2513	5482	4380	4239	1410	1541	1752	2990	1366	12453	239569	0	2368	6581	1244	2054	Lipid	0.5294118	2.1764705	0.05882353
10	C18 H33 O5 N5	400.25543	400.25574	-0.27961823	400.25534	11101	11840	6695	10365	0	0	15087	0	0	14380	0	6650	0	0	2914	0	51874	0	0	0	0	0	0	3781	11793	0	19638	18952	2019	2164	0	31090	41711	16117	5797	5714	33361	9336	97854	0	0	0	0	0	0	0	0	0	2359	0	9552	8644	0	0	0	0	1124	0	0	0	0	0	0	0	2740	0	0	136235	0	0	0	0	1940	0	56546	2109	0	5767	0	0	2080	0	0	0	0	0	0	3506	1846	0	0	0	0	0	0	0	11747	7064	0	0	0	42810	8053	0	0	16084	0	0	36621	0	Peptide	0.2777778	1.8333334	0.2777778
8	C18 H33 O5 N5	400.25543	400.25595	-0.22257154	400.25537	0	0	0	0	0	0	9091	1032	0	2219	1204	4571	0	0	14707	0	60074	0	0	0	0	0	0	3331	80815	0	1833	15506	4757	0	989	4590	11255	7381	0	8049	7408	7112	43879	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	660	0	0	0	0	0	0	0	0	0	0	14787	0	0	0	0	0	0	2404	0	0	4033	0	0	0	0	0	0	0	0	0	0	830	1189	0	0	0	0	0	0	1392	998	0	0	0	5606	2044	0	0	8681	0	0	19607	0	Peptide	0.2777778	1.8333334	0.2777778
20	C21 H37 O6 N1	400.26938	400.26974	-0.18882409	400.2693	5945	5580	7297	4786	3718	3204	44766	7370	3816	0	1553	2572	3922	7789	3557	6411	8047	7252	4081	0	0	2799	0	6651	5472	12103	40081	5172	6107	6746	2991	7362	7711	3404	0	10304	5034	1876	8842	0	2967	4803	1244	0	0	1633	2336	0	7924	4515	3377	3072	4250	0	1823	5474	1541	4602	1263	4059	6675	0	6539	3504	7402	8223	9097	8591	0	0	0	3142	2782	9543	9035	5885	0	3719	4895	2883	1649	0	53386	32264	4779	2845	8228	4141	3241	9363	9265	7796	7077	2201	2250	563	4314	4521	0	3088	4448	8745	2016	6189	1738	3355	4472	0	5382	3829	Lipid	0.2857143	1.7619047	0.04761905
12	C21 H37 O6 N1	400.26938	400.26968	-0.29940996	400.26926	4234	2171	2345	3502	0	1279	0	46614	0	1764	0	2567	0	0	1360	8412	0	0	0	0	0	0	0	0	1419	0	1693	0	11150	14933	30947	8484	5167	6219	0	6950	4936	0	0	0	0	0	335	0	0	0	0	0	21291	35209	2068	0	0	0	0	0	0	8614	0	0	0	0	0	0	0	0	0	0	0	0	0	43138	8098	7960	0	6569	0	8101	0	0	0	0	0	0	0	0	1802	0	956	0	4120	0	0	0	0	0	2982	3407	0	0	0	4233	3795	0	0	2223	0	0	0	0	Lipid	0.2857143	1.7619047	0.04761905
26	C21 H37 O6 N1	400.26938	400.26968	-0.27780068	400.26926	12664	9645	15753	10754	15387	7063	20577	6848	9607	5342	7813	0	20776	17552	0	7075	37283	11292	24737	0	5780	4680	0	5376	9148	0	14663	13140	15115	7907	9772	10746	15619	10329	7642	13954	16627	6271	30857	5742	0	7212	0	0	0	0	0	0	9825	0	13348	10406	11181	0	25556	9378	11572	14701	15934	0	8587	7140	21550	13342	9733	32264	40603	38031	0	3155	1663	7236	10552	14689	0	11200	0	5823	3333	14013	2467	6675	20528	9892	17923	10072	8973	5131	9985	4194	37417	35394	11975	4940	0	0	11297	8826	8411	17676	20313	18557	3227	13623	26804	7878	10915	0	4795	15466	Lipid	0.2857143	1.7619047	0.04761905
22	C21 H37 O6 N1	400.26938	400.2697	-0.26853377	400.26926	18862	14965	16175	17015	12529	14458	143310	14734	7361	8232	4504	10130	14381	24649	15535	16386	14077	13838	16985	8211	8139	6344	7791	11997	18887	21481	113603	16630	24205	17256	13882	26619	22125	16614	7303	28348	20808	12802	15556	2824	10610	17431	4193	0	0	7325	4584	0	20692	15412	18983	17975	15054	1173	12813	12394	9211	14907	8995	5929	19656	4025	21267	9712	19478	33203	25264	19319	3369	4437	6598	13883	15760	17665	16946	18324	0	9168	4532	20577	5564	8261	82874	74207	12209	12408	20506	8974	19298	13164	40898	27028	14155	6229	9861	0	17488	21754	6772	10802	12268	27397	9655	14393	11411	19011	9487	0	10354	18432	Lipid	0.2857143	1.7619047	0.04761905
10	C20 H37 O5 N3	400.2806	400.28088	-0.20626558	400.28052	2328	2881	2000	1610	0	0	1398	1797	0	0	0	2833	0	0	1563	8326	0	0	0	0	0	1261	1731	9691	6935	0	1164	0	1333	1745	993	2395	1427	1490	0	1448	0	2979	2243	0	0	0	0	0	0	0	0	0	1489	3176	1400	1518	0	0	0	0	0	5797	0	0	0	0	0	0	0	0	0	1433	0	0	0	1444	0	0	0	1624	0	2758	18797	0	3544	0	0	0	0	0	23347	0	0	12526	0	0	6642	0	0	0	2222	2216	0	0	0	0	3208	0	0	3613	0	0	8293	0	Peptide	0.25	1.85	0.15
22	C25 H37 O3 N1	400.2846	400.28482	-0.22366516	400.28455	0	0	0	0	0	0	9522	0	0	0	0	1396	0	0	0	0	14399	0	0	0	0	0	0	0	0	0	7736	0	0	0	0	0	10467	0	0	0	26663	0	10807	0	0	0	0	0	0	0	0	0	0	0	0	0	0	318	0	0	0	0	0	0	0	0	0	0	0	0	0	19382	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1906	0	0	0	0	0	0	0	0	0	0	0	13930	1563	0	0	0	0	0	0	0	Lipid	0.12	1.48	0.04
14	C25 H37 O3 N1	400.2846	400.28494	-0.3698861	400.2845	2834	0	2573	0	0	0	6604	3711	0	0	14877	189237	0	0	32274	0	0	0	0	0	0	0	0	0	0	0	9298	9666	1980	1773	12776	0	9885	0	0	0	10851	20888	0	0	0	0	0	0	0	0	0	0	2006	2942	2375	2477	0	0	0	0	1080	0	0	0	0	0	0	0	3132	0	0	7457	0	0	0	3177	1411	2688	0	1180	0	217668	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2400	2390	0	0	0	14175	238121	0	0	1786	0	0	0	0	Lipid	0.12	1.48	0.04
6	C25 H37 O3 N1	400.2846	400.28513	-0.24108456	400.28452	7212	6291	7233	6375	0	571	9535	2053	0	0	2742	55697	0	0	18884	22778	74778	0	0	1466	740	627	0	4195	6274	0	10178	0	785	2771	29517	1008	22252	0	0	0	47933	18183	148392	0	0	1989	0	0	0	0	0	0	4757	0	6936	5871	0	0	0	0	1427	19027	0	0	16327	0	0	0	0	0	2346	54769	0	0	0	0	0	9179	0	668	0	48401	0	0	477	0	0	0	0	0	0	0	0	0	0	0	12694	0	0	0	6150	6252	0	0	0	29572	48233	0	0	46677	0	0	9399	0	Lipid	0.12	1.48	0.04
16	C25 H37 O3 N1	400.2846	400.2851	-0.33853397	400.2845	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5142	0	0	0	0	0	0	0	0	0	0	0	0	1771	0	0	0	27259	0	0	0	34035	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40688	0	0	0	0	0	0	0	0	Lipid	0.12	1.48	0.04
8	C25 H37 O3 N1	400.2846	400.2851	-0.20556323	400.28455	1287	1662	883	2214	0	870	9125	930	0	0	0	2361	0	0	1628	1143	19937	0	0	0	0	1340	798	0	720	0	12926	0	2309	909	1009	3027	19334	1138	0	0	15855	980	20300	0	0	2671	0	0	0	0	0	0	2527	1315	0	1592	0	0	0	0	882	0	0	0	0	0	0	0	0	0	1648	22594	0	0	0	0	0	1041	2495	1433	0	2014	2198	0	5640	0	0	0	0	0	0	0	0	1436	0	0	0	0	0	0	1376	0	0	0	0	19654	1745	0	0	904	0	0	0	0	Lipid	0.12	1.48	0.04
16	C22 H41 O5 N1	400.30576	400.30603	-0.33417758	400.3056	0	0	0	0	0	0	0	20437	0	0	0	6265	0	0	0	7766	0	0	0	0	0	0	0	0	0	0	0	0	3741	14443	10847	4642	12672	0	0	6165	2598	0	0	0	0	0	844	0	0	0	0	0	4627	24270	0	1485	0	0	0	0	0	3446	0	0	6517	0	0	0	2601	0	0	0	0	0	0	0	1621	28984	5419	7992	0	5058	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13078	2905	0	0	0	0	0	0	0	Lipid	0.22727273	1.8636364	0.045454547
24	C22 H41 O5 N1	400.30576	400.3059	-0.13160664	400.3057	0	0	2251	2120	0	819	41824	0	0	0	1132	0	0	15828	0	0	0	0	0	0	0	0	0	0	0	2052	38959	3843	0	0	0	1237	1030	891	0	2051	0	0	1699	0	0	0	0	0	0	0	0	0	0	1341	1136	1112	0	0	0	0	1180	0	0	1080	3961	0	1801	0	6784	1607	2415	1380	0	0	0	0	0	0	0	0	0	0	0	2198	0	2420	7592	8267	0	0	0	2114	0	0	2411	2206	0	0	0	0	1199	1688	1234	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22727273	1.8636364	0.045454547
26	C22 H41 O5 N1	400.30576	400.306	-0.22916205	400.30566	2657	2001	1988	2343	0	0	64517	0	0	0	2025	0	0	18596	0	0	0	0	0	0	0	0	0	0	0	0	54297	6621	0	0	0	0	0	0	0	0	0	0	2188	0	0	0	0	0	0	0	0	0	0	0	0	2953	0	0	0	0	0	0	0	0	0	0	2242	0	13152	4231	5943	1907	0	0	0	0	2593	0	0	0	0	0	0	10112	0	0	10479	9049	0	0	2173	0	0	0	7413	7652	0	1941	0	0	0	0	0	0	0	0	0	0	7331	1509	0	0	0	0	Lipid	0.22727273	1.8636364	0.045454547
26	C19 H12 O10	401.05032	401.05063	-0.24420671	401.05023	7593	6632	6650	7444	17263	8559	1924	0	20795	5077	0	3810	31953	11966	0	0	0	34622	22996	0	0	11675	6778	0	0	0	2763	0	0	0	0	0	4431	0	6604	0	2678	4263	2364	0	4540	0	0	0	0	0	0	0	0	0	6959	7120	10721	0	21107	12544	7447	0	0	0	0	0	41926	18482	5295	20116	4440	0	0	1674	0	0	0	0	0	0	0	0	13990	0	14376	0	0	0	31071	16009	9743	5117	6410	4507	0	2085	5419	10625	11292	0	8038	5955	8285	18177	21009	0	0	0	0	1789	10736	0	4750	37139	Phytochemical	0.5263158	0.6315789	0.0
14	C19 H12 O10	401.05032	401.0508	-0.11512863	401.05026	10522	8155	8988	7769	20922	7745	0	0	20221	10790	13170	1170	34656	5200	3001	0	0	15702	20732	6313	14678	35247	4765	0	0	0	1739	0	0	0	0	0	1839	0	19328	0	3296	4176	1914	2626	9882	5298	0	0	0	5570	9509	0	0	0	10000	5610	11492	0	18942	20959	8021	2414	0	0	0	4290	52655	19851	7145	27833	4460	2250	0	0	2473	0	0	0	0	0	0	1852	11641	16832	5604	5592	1040	1601	22828	8630	7491	10511	7093	3760	0	2268	2236	36808	24076	0	8549	6869	17525	32395	25338	0	1101	0	0	2373	15415	0	1410	25117	Phytochemical	0.5263158	0.6315789	0.0
28	C19 H12 O10	401.05032	401.05066	-0.22624077	401.05023	9664	7553	9084	8719	18902	10403	3561	0	17483	3258	1578	3335	33983	11623	4263	5050	0	37908	27429	0	2425	8075	8449	2772	4138	0	4530	0	3512	0	2162	1883	2163	1529	6342	0	4861	4864	3059	935	3521	3011	0	0	0	2853	3547	0	2538	0	8177	8721	12393	0	23078	12072	4695	2583	2095	2406	3185	1897	31733	17080	7148	22585	6750	4297	0	0	1410	1371	2122	0	0	1213	0	1495	14007	4752	15211	1240	3112	1647	28922	10791	14703	8708	9487	6597	1541	3191	5473	8520	12094	0	9405	8156	13402	16371	22577	4233	1639	2691	0	3614	16223	0	4478	32695	Phytochemical	0.5263158	0.6315789	0.0
16	C19 H12 O10	401.05032	401.05075	-0.14400275	401.05026	12564	11208	9655	13310	29330	9110	2908	0	34007	13297	11490	3581	46888	11031	5460	2493	0	33574	28941	6221	17909	31420	8315	0	0	1544	1992	2600	0	0	1673	0	5358	0	19608	0	2165	5513	2217	4559	8409	6512	371	0	0	6087	15581	0	0	1191	10809	8051	17212	0	32514	26350	12317	3266	2078	2520	0	6357	60202	25155	12708	45114	9140	2448	2735	2486	2638	1460	0	0	0	0	0	3019	19742	18140	15235	10338	1548	3196	35875	13451	12041	10089	12817	0	0	5344	0	40009	25541	0	8448	7732	24402	41999	33893	0	3585	3322	6425	0	24207	0	2919	52694	Phytochemical	0.5263158	0.6315789	0.0
18	C19 H12 O10	401.05032	401.05078	-0.15844905	401.05026	16120	14161	15601	16681	29356	11979	5079	0	27718	11594	6258	5448	63895	14478	4253	4488	1825	44660	34812	6593	9189	27412	8664	4349	2559	0	0	2496	0	2103	1870	0	2563	0	15376	0	5027	6270	2526	6587	10286	10812	928	0	273	5945	12269	1254	3558	0	12926	11183	25039	313	28614	26911	14069	5640	3952	2720	0	6560	58709	36103	9639	40703	12426	2871	1863	1817	1995	1908	0	0	1845	0	316	1673	22863	18491	16181	4636	1165	2156	43608	17747	14436	12611	16272	6638	3738	6663	9168	29955	25791	0	11938	12618	26254	38762	44492	5474	3877	2214	8743	2855	25572	0	4788	47009	Phytochemical	0.5263158	0.6315789	0.0
20	C19 H12 O10	401.05032	401.05075	-0.16753066	401.05026	11205	16439	11746	12573	30994	16167	4634	0	30756	9175	1693	5634	43927	14148	9044	7717	4353	35474	35859	2572	6946	21224	7871	6328	4478	1750	2890	0	2470	2265	1659	2637	5087	5532	4122	3232	4331	5706	7012	5020	6133	11637	1207	0	422	5095	8557	1527	5914	1821	11229	14537	21634	318	27908	27371	13655	5032	2971	3234	8247	4945	56753	31008	12704	33594	12858	5622	0	0	0	2329	3055	2981	2776	1826	521	5449	24343	11668	16057	6596	3246	0	46663	18533	14161	17335	14805	7620	2828	3190	7224	20061	11719	0	9313	11705	26113	42502	35899	7891	5484	5847	5407	8909	19375	0	6933	53082	Phytochemical	0.5263158	0.6315789	0.0
22	C19 H12 O10	401.05032	401.05078	-0.100193754	401.0503	10134	7224	8094	5655	24774	13983	3758	1576	21572	5590	0	3562	28521	13053	7547	4184	3135	33525	22195	0	3407	12667	8686	5978	3208	0	5535	0	2956	2406	2405	0	3966	2821	4413	0	5161	4457	3149	0	3596	6274	0	0	559	1923	4341	0	1464	2855	7664	10185	15147	333	19674	23346	11519	3680	1504	2482	5635	1899	37478	23164	9385	23185	6211	2229	0	1769	2558	1238	1328	0	1310	2097	732	2292	18986	7867	15668	4143	1250	0	34640	19461	13597	11875	10851	4983	0	0	4047	16763	15216	0	5102	6242	18508	31344	28553	4116	3629	1842	2699	3325	17941	0	3785	31830	Phytochemical	0.5263158	0.6315789	0.0
12	C19 H12 O10	401.05032	401.051	-0.029856838	401.05032	4102	5851	1992	3876	8908	3574	0	0	12237	2212	3795	0	8931	1693	1730	0	0	6787	8054	3451	6634	12090	2694	0	0	0	0	0	0	0	0	0	0	0	7602	0	0	0	0	2960	5387	2258	0	0	0	1564	0	0	0	0	2429	4055	4386	0	7043	8954	3635	0	0	0	0	0	25038	11886	2349	10581	2637	0	0	0	1760	0	0	0	0	0	0	0	3353	0	3159	1900	0	0	10076	1441	0	2617	3189	0	0	0	0	18605	8747	0	5566	2642	10871	14853	14269	2682	0	0	0	0	5465	0	0	11789	Phytochemical	0.5263158	0.6315789	0.0
18	C18 H12 O9 N2	401.06155	401.06207	-0.044564873	401.06152	5099	5760	5684	3401	2657	1744	8277	5012	0	2859	0	6530	1663	2553	6244	10198	11928	6429	7005	0	2526	14576	12483	15171	11956	0	7339	0	4797	6466	6644	4535	9474	0	2888	3328	2639	9955	10910	4660	7057	9398	371	0	0	2967	2474	0	5784	4940	5333	5677	6456	0	3218	1142	5007	12545	3491	2291	9935	2110	6522	5184	5994	4769	6264	14689	0	0	1953	5966	1529	1410	4626	5550	0	4800	17679	6499	13393	0	0	0	3567	5570	19805	13803	8709	34304	0	0	17598	7137	8183	0	3571	7493	1927	3345	2875	11742	5555	3040	2199	13507	2465	0	16244	7153	Phytochemical	0.5	0.6666667	0.11111111
22	C18 H12 O9 N2	401.06155	401.0619	-0.21848834	401.06146	4439	4153	4043	5309	3794	3952	4856	3160	1678	0	0	7388	2519	0	8875	4373	8976	4234	4561	0	1752	9797	12014	7649	6300	0	6019	0	4338	1197	4371	0	9539	2686	3048	0	2955	5585	8829	3112	4186	7661	0	0	0	1747	2122	0	3989	0	3807	5152	7623	0	0	0	4910	4982	1150	1370	5086	2250	2029	4076	3351	3292	7599	10998	0	0	0	3392	1071	0	0	0	0	6839	20072	2477	14244	1181	2120	0	2340	2886	22999	6810	5735	17122	0	0	12578	5824	3931	0	5161	3389	1880	1166	0	9636	5273	1391	0	7875	2191	0	9364	3846	Phytochemical	0.5	0.6666667	0.11111111
8	C16 H16 O12	401.07144	401.07205	-0.11019855	401.0714	7518	10376	7830	8568	29752	9052	1444	0	31988	2144	6440	7636	71090	6660	3384	0	4093	28428	33860	3774	5084	9668	6446	3390	0	0	2252	0	0	0	1478	0	3490	0	5020	0	4174	2750	3952	0	3440	14308	0	0	0	0	0	0	2530	0	10180	10494	18398	0	29116	51722	14804	3138	1678	2720	0	0	82084	50334	13724	40626	12028	6584	0	0	0	1892	3380	0	2800	0	0	2062	7228	0	0	2476	0	0	37670	12294	5550	12764	13992	6606	0	0	0	18722	5610	0	7786	5370	34928	80304	71256	4662	2076	0	0	5168	30316	0	1882	73486	Phytochemical	0.75	1.0	0.0
26	C20 H16 O9	401.0867	401.0871	-0.20751716	401.08664	11577	9864	9906	7478	20789	10766	0	0	17566	21968	4997	3161	33814	12464	0	0	0	25166	20784	10852	14055	21381	5578	0	5482	9011	2314	3359	0	0	0	0	3353	0	24811	0	4807	4954	2835	7904	8529	0	0	0	0	8733	12207	0	0	0	11287	9769	11410	0	20115	14461	7663	3362	3074	0	6139	7003	33695	16633	6759	21258	8433	2533	9047	18368	17108	0	0	0	0	0	0	0	15380	13925	11800	6519	0	4321	26677	9975	10217	6530	6670	3351	2251	4909	4940	21586	31022	0	9016	13256	11856	21215	19855	0	0	0	8662	1752	14040	0	5621	34067	Phytochemical	0.45	0.8	0.0
10	C20 H16 O9	401.0867	401.08725	-0.09599586	401.08667	17129	18021	15113	13266	13886	5921	4456	4665	21281	44929	37901	5816	17251	5796	6237	6726	6798	19333	21744	25322	34410	28223	10323	9785	2814	20214	5261	16715	2991	3147	2775	4211	7512	5017	59468	2523	5315	8668	10275	21031	27944	6302	0	0	0	15492	29161	0	5516	3711	19382	17826	11743	0	18583	15618	9203	8081	5798	11592	0	13679	26345	18569	8542	16005	8850	9152	30554	29248	44207	3830	4005	1891	3638	4552	0	4912	17897	15494	11792	14472	4104	8491	21037	9289	14977	8777	10973	9078	4400	7898	10952	30054	26145	0	16545	18028	15401	21599	19896	4680	5666	6431	0	5073	17030	0	5675	23556	Phytochemical	0.45	0.8	0.0
14	C20 H16 O9	401.0867	401.08722	-0.13452862	401.08664	78699	67608	63083	64815	76761	42915	23668	25064	80696	212979	131572	23874	111096	33693	29238	35769	21905	79064	74972	122076	144164	146095	36833	31257	19671	98973	19849	60588	13796	11822	18269	17127	31417	14412	252048	14196	28725	29314	25387	85301	115091	33591	0	0	0	75923	114746	527	18832	19139	62149	61856	51328	231	82090	67010	37778	37571	30368	24957	45864	66219	119056	83815	36982	85942	40940	23277	122945	118062	160372	19303	12812	9107	14737	15339	259	22762	59941	100630	46681	73455	19755	53854	89278	50496	54184	39386	35194	34957	31254	53368	42556	133798	145091	0	61710	60438	75791	88681	74899	27245	20608	28713	77691	29021	60188	0	25324	98347	Phytochemical	0.45	0.8	0.0
28	C20 H16 O9	401.0867	401.0871	-0.18518715	401.08664	8704	8572	8889	8582	13117	7715	2373	0	15960	16284	4711	2258	20188	7413	4582	4623	2274	15653	15626	9010	11869	17859	6484	3445	4239	5963	2644	2067	0	0	2982	0	2098	1184	21781	0	2388	5153	1929	6057	7328	2457	0	0	0	7824	7142	0	2817	0	8693	8252	10220	0	14698	12599	3766	4037	2924	2578	2507	4499	23646	14638	3733	15397	5123	3603	10456	13080	12205	0	1047	0	0	2182	0	1274	11302	9811	10741	3518	1657	4815	18771	8317	7530	3943	4615	4044	4225	6258	2948	20044	21981	0	7180	7632	11451	12839	14220	3129	3383	3393	4230	2836	9463	0	3968	19949	Phytochemical	0.45	0.8	0.0
16	C20 H16 O9	401.0867	401.0872	-0.11888789	401.08667	90251	90087	90727	81767	106847	68648	28828	26942	109560	276420	156767	29667	159367	61931	42761	38624	21059	139938	142374	172029	170776	182681	46013	41153	29424	123911	23266	92768	23660	15545	27266	26812	46818	19011	324560	18676	45071	39874	26513	112726	111928	41506	3146	0	383	94879	133701	766	32725	17467	77198	96641	77168	572	118427	96422	56683	45560	42972	26211	33357	81944	193951	112070	44398	134075	55605	24810	136195	165443	187503	17436	18005	10220	15498	19733	561	24931	80599	146259	60878	106254	28295	79905	132133	66816	70542	45312	52338	48807	49539	67094	43097	199466	222083	931	94323	83143	99656	107816	115947	35238	24071	31297	73048	30979	88670	393	29972	165218	Phytochemical	0.45	0.8	0.0
18	C20 H16 O9	401.0867	401.08716	-0.13061248	401.08667	93154	84964	96210	87478	123715	64285	25839	26524	112209	253125	134457	20683	176584	72914	40149	35091	15347	163476	143424	165104	154246	175911	46774	38951	33231	108784	21908	79967	17949	15247	23600	15803	41626	21760	282323	14752	44770	31557	17494	108413	96789	40729	3682	393	593	101485	127566	1261	27957	17867	88281	95298	80089	617	125581	98284	55853	39214	38082	25433	41653	86469	195049	100660	52635	136185	57287	26285	119095	125132	161499	20923	13256	6986	12700	21114	580	22329	77653	117557	65127	112568	23946	68640	134691	67774	68438	48898	50411	31045	54036	67568	61385	148296	216222	903	81461	70013	91350	109778	108251	37867	22547	39271	78951	32161	91749	859	28167	149457	Phytochemical	0.45	0.8	0.0
22	C20 H16 O9	401.0867	401.08713	-0.18576345	401.08664	26593	25700	28547	26630	48157	27740	6995	5664	51324	75951	28110	5822	63568	25887	13681	5723	4892	55790	47903	34213	42924	59369	19213	12004	10126	28217	8413	15309	3181	2462	3823	0	6810	3724	76290	4247	10702	11714	6506	25755	21228	11702	0	0	677	26866	38690	0	5056	6067	25782	20704	32907	860	54880	46717	21279	11667	10270	6021	5910	20275	87341	49307	17536	48850	18850	4228	30605	47403	47033	4987	3517	1413	3051	3626	1266	6065	30663	37562	28569	26953	6303	23036	64538	33138	29480	14087	15582	3941	10364	10249	13992	61132	84153	0	22354	22958	39128	51886	43986	6685	7529	6595	28358	10078	39277	0	9242	75471	Phytochemical	0.45	0.8	0.0
12	C20 H16 O9	401.0867	401.08722	-0.15027341	401.08664	41377	37320	33476	34493	38807	17490	16059	15490	46247	101971	78081	14646	39900	16655	14757	20523	13327	37144	50181	77547	75644	81833	17657	18735	6406	50011	13689	35310	7195	10764	11413	11278	20171	8721	129374	7460	16494	17208	17898	46261	70201	14061	963	0	0	37500	76194	0	16956	12461	40157	34342	27193	0	47223	31782	17846	19231	7847	15770	0	47146	62763	36396	14899	44472	18275	13478	71961	69015	112329	10608	8070	7833	10251	9247	0	11448	37426	39319	29837	37567	11183	21762	46646	26083	22220	18990	19961	23409	15250	25643	20176	80074	73274	0	33119	36613	59584	42099	42181	18359	12083	14299	34574	11609	35622	0	12033	57651	Phytochemical	0.45	0.8	0.0
8	C20 H16 O9	401.0867	401.0873	-0.101279855	401.08667	3058	4104	3537	3265	5531	2679	1172	2518	7797	14450	9820	3264	8471	2927	1793	2154	2809	5569	6544	7850	13574	9150	2921	2940	705	5803	1424	2907	972	824	845	0	3144	1573	20547	1331	1430	3915	3588	6139	11309	2679	0	0	0	5376	10415	0	2503	1502	2878	6579	4479	0	6856	6922	3314	1677	1620	3146	0	5135	9573	7407	5352	4731	2861	3931	8925	7807	18612	1095	1782	1012	1723	2231	0	2097	6335	2725	6075	4902	943	1945	9815	0	4514	3795	3496	5682	0	0	3003	11202	7033	0	6177	4594	9753	12012	7546	2895	2508	2018	8642	2913	7422	0	1417	9640	Phytochemical	0.45	0.8	0.0
24	C20 H16 O9	401.0867	401.0871	-0.16063848	401.08664	15735	18328	15546	11365	30956	13056	4774	3485	31525	32415	16299	4103	49330	13182	7342	3512	2530	32883	24700	17855	20685	30235	10177	3553	5420	19351	2176	7407	2604	1151	2225	1508	2694	0	37253	1671	5408	4126	2243	12388	12084	3852	0	0	0	18140	22149	0	2488	2530	14274	13836	19812	0	30932	26241	9324	3374	3650	2293	6349	11684	52268	29554	8096	34392	7825	3074	15523	29880	28648	1650	2431	0	0	993	0	3207	24121	18693	18645	12658	3220	6357	33517	15255	13661	7780	12092	2826	7038	6342	5333	33717	48770	0	17707	12963	20366	32036	25361	5965	2257	3355	12637	2277	19908	0	6109	45023	Phytochemical	0.45	0.8	0.0
20	C19 H16 O8 N2	401.09793	401.09842	-0.09580027	401.0979	8214	4711	6842	12393	9930	8525	3785	2231	5590	17281	18667	6590	8239	0	2837	5162	5674	7225	18260	6773	21371	31233	8689	6819	2238	3042	4618	8271	12004	1699	6997	8312	4979	1773	23439	1647	6438	2521	4269	18456	29583	3148	0	0	0	14218	26101	0	8976	1819	7328	18302	6746	332	5578	5185	5638	9774	4704	5832	11486	12669	12731	5519	3272	9617	9624	3220	24810	19241	12873	2966	4158	6003	7323	4176	0	7409	8429	25498	3554	11151	3790	10652	8788	4597	5384	10511	11359	7604	4878	11311	11017	32451	27956	0	7433	9794	6048	6668	11260	9293	6256	4830	9070	5958	4679	0	5928	11702	Phytochemical	0.42105263	0.84210527	0.10526316
18	C19 H16 O8 N2	401.09793	401.0984	-0.14738621	401.09787	18907	9199	13163	17745	13314	11712	7098	5295	11904	35831	24383	5226	17250	5283	6229	12162	10868	16791	24851	13983	19458	45524	8310	11442	11568	10366	6934	14571	4891	5235	6463	5894	6720	0	37884	4140	15165	5818	15488	35654	43390	10769	618	0	0	21666	39584	0	7143	6253	14960	13379	11063	0	20643	12537	9652	10069	8773	8225	7586	26737	29356	14490	8450	23253	11889	11015	19733	29696	28300	6760	1811	1828	9659	0	0	5221	14386	34276	8269	16556	8583	17280	11968	12507	15314	15230	11633	18003	6770	18499	27284	46315	52463	0	11807	9775	13775	19549	17720	9074	3651	6904	13698	11871	12029	0	14727	19597	Phytochemical	0.42105263	0.84210527	0.10526316
16	C19 H16 O8 N2	401.09793	401.09842	-0.09995702	401.0979	52480	55280	34812	58066	35574	34726	23628	28089	46318	100246	62460	30660	54476	23748	25694	44294	25528	79076	49124	64226	110982	149634	24588	56096	26500	43000	22418	32370	16360	22026	17694	10422	41304	21984	129684	18210	42720	27202	44620	112824	157734	24322	1284	0	0	71654	99894	0	14204	21432	47266	38570	39250	0	46690	35736	24380	35282	25902	36382	22428	90086	72800	48896	16484	59592	34186	44936	58994	82874	99408	26906	8662	9312	21978	17088	0	19586	42120	124630	23984	58024	18878	57936	59432	27598	41972	30520	35454	81266	33488	58560	0	138978	154138	0	51602	34064	32354	69376	45778	34316	26656	28570	42396	28142	40386	0	34922	86696	Phytochemical	0.42105263	0.84210527	0.10526316
10	C17 H20 O11	401.10785	401.10837	-0.15092508	401.1078	148194	133500	127760	125358	165232	117900	54570	106404	234348	240398	170316	81416	320278	73374	81192	98166	72628	275028	232830	189442	211534	205138	118290	82630	28554	15192	63372	65422	70964	68848	66312	72800	133840	77328	254290	70586	127731	86664	95902	93268	141350	106994	2768	0	0	79776	142640	0	83064	82784	126772	127228	129554	0	330414	184292	99880	103070	92934	104886	107202	94380	360414	264794	84932	212568	119406	106392	80438	31422	76242	79332	71932	65174	67878	69782	0	70832	97120	121224	92630	63960	42946	31634	192944	101564	106760	99832	100072	83392	46674	82694	93448	194298	176926	0	144104	146654	170386	191410	186208	126110	76120	85262	104866	100586	168312	0	38990	387402	Phytochemical	0.64705884	1.1764706	0.0
12	C16 H20 O10 N2	401.11908	401.1196	-0.11031326	401.11902	17912	17745	18543	25301	14243	16997	11471	21268	23889	11017	10542	20448	34005	7097	20472	16312	28476	28573	34655	16771	24986	20422	24822	18576	7355	0	7837	0	21332	15127	19047	14473	32545	18184	18783	16366	27567	17492	18990	15447	13090	23957	0	0	0	8047	18159	0	23527	20589	20086	14564	24279	0	41412	16588	14894	16526	20702	21422	16692	17231	41077	32173	13167	23151	19732	29091	0	0	0	16285	17389	16468	18114	10718	0	22786	12625	0	12345	7853	8341	3875	17822	10438	18572	23067	21800	30605	7580	18240	34173	11481	5093	0	17602	22810	11898	10477	13863	27170	21926	15865	0	28278	12497	0	8040	49099	Phytochemical	0.625	1.25	0.125
10	C16 H20 O10 N2	401.11908	401.1196	-0.120598264	401.11902	29759	28268	25576	25588	23410	18119	12866	28331	37314	13139	16717	29266	41032	10999	24136	31918	35068	37179	43722	20993	27597	37275	32875	27727	9011	3510	11806	4962	23623	22297	23962	24828	38170	19705	19383	18079	35025	22980	34445	20167	34772	29675	0	0	0	14657	23759	0	24863	21882	24185	29652	21962	0	48315	26855	17139	28727	26753	26927	28590	18073	43972	41948	21148	33624	25871	42052	0	3294	5518	25633	23736	21110	20610	18712	0	20647	21984	10895	16013	11853	10868	3771	25323	17894	18166	33430	27059	33422	12674	26454	50773	21619	19498	0	28384	32807	15971	21729	18288	37516	26067	20891	16757	37197	18246	0	11063	66620	Phytochemical	0.625	1.25	0.125
14	C16 H20 O10 N2	401.11908	401.11963	-0.024529299	401.11905	9744	9022	8206	11066	8763	6653	6126	13341	15161	4465	0	11232	16185	9665	12077	6662	12658	15756	14192	0	7459	7369	12960	11634	7859	8217	3562	0	12817	7658	10189	11423	16648	10835	3487	10719	11517	10720	8621	8600	6873	12137	0	0	0	6833	7986	0	10174	11436	8152	10031	10244	0	15909	6425	8609	9216	9012	0	0	9296	15770	18710	7369	14792	11132	10046	0	8768	8302	8463	8888	9569	21996	6634	0	11688	6151	0	7517	6374	0	6698	11489	5293	8544	12782	11939	12442	0	13235	20882	0	5045	0	10855	10425	4254	8996	6337	15418	12333	10794	0	13062	8155	0	4713	20140	Phytochemical	0.625	1.25	0.125
8	C16 H20 O10 N2	401.11908	401.11966	-0.16832905	401.11902	128333	132330	98735	125849	124433	72443	53516	101049	176468	138798	132676	110652	240916	43866	89630	117188	135059	181428	200052	138199	181126	163183	102892	105092	27742	26891	62176	39465	83794	80729	83485	82956	113053	74483	183496	78791	118660	82521	140431	74475	144938	113437	0	0	508	74308	125011	0	92325	98106	126495	138912	103027	0	214476	149741	87750	100275	71228	117207	107025	86897	295556	343317	92581	176605	114811	151965	48364	44712	81210	93578	86790	70782	113090	82284	644	68307	113398	63884	93164	51514	45438	33515	161228	79786	99951	165713	110954	129677	0	78115	148075	133067	116485	642	141269	136297	131341	177829	157194	123386	86061	108433	31098	113852	141879	0	45263	407463	Phytochemical	0.625	1.25	0.125
6	C16 H20 O10 N2	401.11908	401.1197	-0.17975658	401.119	15439	13253	14167	14635	11037	8930	6756	13673	18553	6834	8877	12409	21644	4062	8273	14688	18914	22199	21972	9651	13431	19522	15387	14886	2761	0	5794	0	8426	8831	11159	14772	19894	10939	9915	11065	14865	8913	22754	5289	17697	14326	0	0	0	7416	11906	0	12024	13051	14574	14112	12777	0	22273	12100	10083	11751	7920	15566	15326	5575	35012	22536	11198	19806	15729	30864	0	0	0	11393	12083	9334	7923	9837	0	8009	9554	2875	7741	5264	4226	1512	20077	7662	9000	19251	16504	24907	0	7237	27439	9457	6988	0	16134	11723	8134	15141	16516	21005	12666	12452	0	19439	11151	0	5975	36850	Phytochemical	0.625	1.25	0.125
12	C21 H20 O8	401.1231	401.12363	-0.13916144	401.12305	101673	95507	92865	97275	57038	40481	66441	80594	67654	186063	127412	48673	58202	36559	46497	80575	63016	64905	79771	176051	156739	130327	58132	77633	37320	169956	57769	109404	54457	52970	57247	63177	68706	62914	211985	56177	56098	53833	69702	121376	168910	39058	2356	754	620	103907	163030	907	75800	73824	95141	97900	43014	368	76967	48065	30016	77378	65958	73899	84716	82232	85659	55749	33322	64241	42191	83130	207791	458888	530266	59810	56337	58463	55017	61274	553	44486	76266	76609	69333	95846	51961	82720	73414	36840	74080	35147	43777	104554	56636	70088	83328	96084	100043	876	101425	109921	81057	58592	48269	71836	47900	82183	94831	59053	48293	0	59407	75407	Phytochemical	0.3809524	0.95238096	0.0
28	C21 H20 O8	401.1231	401.12347	-0.24490997	401.123	12389	10161	13058	13296	20329	8879	4361	5228	17049	28161	11933	3724	28570	10318	8895	7022	6975	21324	17886	21345	23802	18935	7304	8009	2913	26736	3449	10619	2492	3837	3797	2220	6610	3749	35242	3658	6698	5906	6237	14359	14832	5017	1194	0	0	14155	14568	1314	5576	2624	12792	12961	12153	0	19086	14981	6864	6064	5825	2915	6639	10056	24699	16056	7174	23371	8599	5226	30652	45711	45683	5038	2572	0	2418	3610	0	3075	14083	17287	11246	8797	5994	11020	21035	10281	11418	6083	7362	6575	7269	8424	6685	16411	27974	0	13596	11463	11932	17842	22366	4840	3181	6303	8150	6000	13221	0	4455	19964	Phytochemical	0.3809524	0.95238096	0.0
20	C21 H20 O8	401.1231	401.1235	-0.1501335	401.12305	198688	204397	196605	176402	233672	159642	73380	91097	240514	576166	303204	61007	308336	156161	104268	109193	54891	281341	264492	448711	463501	269028	123714	121008	109377	544160	63625	254564	81688	72161	73098	76902	114467	73761	670598	73590	117960	82122	63947	292761	236585	96880	8332	2439	1804	240406	237692	2290	90059	77027	199186	196072	149240	2305	214652	191853	107518	122410	93153	63723	98977	210796	321331	202779	99361	239090	139648	66029	448062	663820	658930	86102	73323	59740	54900	65702	1143	72868	160889	179392	121734	177856	77908	252127	251932	129988	139838	98414	117036	91612	138624	163764	133273	233427	285523	3771	198502	200044	194720	222181	192746	96316	60469	107786	192024	103026	183470	2317	82522	335759	Phytochemical	0.3809524	0.95238096	0.0
22	C21 H20 O8	401.1231	401.1235	-0.15552193	401.12305	95732	97133	83507	97855	111187	80840	23643	41480	128567	262115	151342	25486	151786	69668	41036	45733	29219	148388	107095	188483	212581	142745	53326	44926	40310	264665	25683	115300	33576	32225	36033	36236	42412	31453	272781	26050	56079	43342	29037	147639	127707	40152	6338	0	1399	125114	121851	0	42645	30090	96630	92110	79392	2157	122774	108149	51955	47892	45280	28913	40024	107860	174662	111898	45035	138157	68417	25988	220334	327425	306561	33991	29523	23048	19563	32380	2110	28828	87360	84724	70925	90199	30968	101961	146474	73239	83000	44901	58066	42011	57371	71305	46146	125696	156496	0	89383	93090	105739	116823	115000	44161	28518	48315	78852	51104	99332	0	40630	184544	Phytochemical	0.3809524	0.95238096	0.0
10	C21 H20 O8	401.1231	401.1236	-0.20162676	401.12302	39667	39646	34101	40279	21010	16958	25324	32947	26997	73327	56900	25529	27377	15120	24805	37433	26902	31681	31706	67111	70412	49314	23284	38002	15129	84115	26735	29012	21862	30440	24421	30939	33943	25676	90521	27195	26965	26283	28657	50225	59745	15939	1139	0	667	43311	66581	0	32438	26580	36729	36742	21970	0	24712	20285	14313	36853	21409	29459	34852	35670	27429	23592	14404	26121	18347	34712	84461	89867	111080	24560	29727	25305	25792	30322	0	20089	41281	25160	33323	38990	26028	30338	29024	18602	34174	16176	17730	32890	24969	26446	37175	35865	50117	746	39510	41648	28383	22824	25292	25673	22778	33553	33752	29207	22501	0	22242	23605	Phytochemical	0.3809524	0.95238096	0.0
16	C21 H20 O8	401.1231	401.12357	-0.12563412	401.12305	233960	254363	217520	232817	215410	145024	106661	147912	237835	695299	394009	100458	265282	126276	146020	163844	110121	257683	275702	555451	519693	300687	162017	160698	124588	633811	95543	296573	113692	112813	137139	140791	147928	114483	747721	114188	157864	126737	118996	364195	327616	100814	6602	1263	1451	270041	313078	1108	155871	125191	249417	251738	161808	1447	212949	168411	113314	159446	133782	107807	166256	235490	291180	171353	103664	234080	141189	103807	567926	862929	843781	145243	122207	111815	92793	128932	1714	100611	193704	209375	158280	256462	120752	284530	247807	127864	176186	126292	140251	156820	198184	178785	180702	256043	352012	2625	244947	227424	206250	203211	194792	147769	99592	151625	200099	154710	186690	1222	126509	283086	Phytochemical	0.3809524	0.95238096	0.0
26	C21 H20 O8	401.1231	401.12347	-0.22631074	401.12302	18285	23196	18758	19620	31232	16075	3338	8038	32470	56605	22452	5358	52794	16029	9554	8925	0	37886	36324	39282	43759	39457	13693	10341	5467	43059	5041	19791	0	0	5898	4651	9266	5282	62261	5239	8080	5396	6696	25625	26157	11584	0	0	0	24361	28356	0	8877	7224	19401	19719	21674	0	32281	32108	14295	10072	9425	6637	7639	20592	49641	24431	11151	33363	10707	7064	57714	82433	90164	7062	4947	0	0	4988	0	4196	27154	23810	21589	17446	5631	19184	41732	16801	17255	8633	14459	6995	11451	8132	12742	28450	51628	0	19949	24559	21559	33416	37727	8096	6169	7700	15203	8201	26588	0	8359	46207	Phytochemical	0.3809524	0.95238096	0.0
24	C21 H20 O8	401.1231	401.12344	-0.20391528	401.12302	42246	38541	40242	37916	53659	31086	7450	15195	57280	109964	51957	14279	85913	28746	18188	21346	11248	61738	66176	79985	81148	64982	24737	17613	14789	93824	7920	36679	11297	7764	9919	10216	19029	10776	109152	9049	19417	16821	10427	53925	59385	14724	2774	0	0	50287	56615	1992	13552	9872	39796	38165	33569	0	70574	49939	20600	16214	17747	11169	19550	39648	89748	55369	17393	60031	24611	13528	100634	134366	148453	13234	8667	5340	8858	9038	0	10690	41731	40170	27562	35564	11149	39622	70831	32740	33439	18207	24395	16200	19816	19847	28317	60892	83465	0	37704	36448	45470	61185	54126	13911	14264	17134	37591	14404	44024	0	16583	79329	Phytochemical	0.3809524	0.95238096	0.0
14	C21 H20 O8	401.1231	401.1236	-0.14635713	401.12305	175295	171858	160145	159158	123224	87131	89294	124017	143359	411168	278254	94648	155442	83151	96918	128296	94985	144259	140557	329855	328372	223147	111287	138202	83711	411129	92518	223265	82360	97493	97936	141372	120324	92403	458028	95776	106350	108188	100320	215269	261948	75614	0	958	597	198118	264385	1176	110115	105311	159641	159719	98212	633	143331	102708	74815	141355	128219	103078	166571	164777	173901	123595	70706	136344	85180	94617	384233	485900	1062356	103622	101206	99251	86350	111691	567	86567	144172	163520	118557	163025	98635	174860	154797	78520	120866	87916	95021	152010	125149	116664	134048	175251	213208	1845	154325	145371	131121	124593	117363	118077	78566	146309	173642	95230	99828	944	86075	153701	Phytochemical	0.3809524	0.95238096	0.0
20	C18 H24 O8 S1	401.12646	401.12698	0.09554566	401.1265	16635	16234	11893	9913	9741	14050	14710	27392	14867	23461	8772	16434	18697	6359	10594	11618	10122	40622	33312	41900	56154	17044	10575	24590	12192	16714	8777	10598	18406	12136	9549	6390	26768	8345	25515	14474	13390	6047	10766	23239	12100	11261	739	0	0	12514	29244	0	22204	9877	11597	11600	22896	325	11780	18188	17378	13552	32138	7190	7193	18808	13390	19294	11786	26728	8649	8998	8207	15251	24982	9275	12318	5938	12735	5877	0	14140	8444	8137	7513	10285	15530	12690	12284	7627	10733	9966	11448	8571	32094	45056	22056	11044	14808	0	16532	14597	7910	7538	10778	15284	12210	13811	19392	19470	7782	0	15712	15850	Organosulfur	0.44444445	1.3333334	0.0
22	C20 H20 O7 N2	401.13434	401.13474	-0.1509793	401.13428	6282	6055	3602	5919	5180	3633	3655	2446	3762	17618	6488	2649	8837	0	5284	6392	5027	0	3426	7119	9894	13588	3883	5497	6806	6941	1778	6787	4238	2920	4210	0	6838	0	11826	3371	5570	3278	2932	15942	17567	4667	0	0	0	11157	14267	0	5547	2156	9737	7068	0	0	3738	4821	2900	4169	4122	4848	3500	9678	6153	4123	3694	7237	5995	3925	5242	17047	16997	0	0	0	0	2231	0	3715	9907	14411	5948	5594	5411	10335	3973	5094	3956	4399	3645	5137	8447	0	8444	13948	20162	0	8954	6041	2675	4226	5817	7697	4891	7133	7715	7306	4006	0	7377	6772	Phytochemical	0.35	1.0	0.1
6	C20 H20 O7 N2	401.13434	401.13495	-0.15932219	401.13428	14387	16415	13502	16601	11122	7154	4629	8789	16814	50387	25557	6448	17902	6081	8912	11089	8967	14273	16508	39463	62720	31940	9437	14144	4553	26530	6020	20430	6244	6525	8451	9788	12809	8017	51480	8228	12090	8319	12048	30238	43206	4821	0	0	0	24232	42744	0	8739	6984	17491	15382	8747	0	14780	12604	5721	14138	5954	11845	11425	19518	19099	13534	4009	15768	10162	10676	40932	40337	66650	8048	7085	4550	4126	6496	0	5863	11246	21337	6043	15236	6387	19781	11796	6545	12872	7242	7838	18908	7744	12825	18490	25935	33380	0	15596	16381	10496	12187	13081	12454	5477	12681	17716	11451	9673	0	7342	15825	Phytochemical	0.35	1.0	0.1
14	C20 H20 O7 N2	401.13434	401.13483	-0.13389483	401.13428	58061	59885	49268	52528	38667	30519	34165	43252	36456	104175	80960	24432	54249	24114	28591	44827	45441	42325	49747	110036	134484	100958	32192	54712	33880	113846	30694	72181	34712	30580	24116	29080	50610	29370	141622	30577	54291	26213	50763	109819	126370	28718	0	0	0	79948	101070	0	39308	30340	54292	56168	37984	0	48392	42182	24275	48985	38415	37027	48501	80953	56138	39072	18021	46443	30871	52558	117759	159727	150252	32266	23079	22446	29919	25811	0	26082	47562	63043	36213	47282	35931	68508	45408	25288	51259	37794	33359	81542	55296	65586	81069	82374	107264	0	64381	55549	31155	35971	37950	47064	28247	48164	60220	43678	32473	0	37004	53301	Phytochemical	0.35	1.0	0.1
8	C20 H20 O7 N2	401.13434	401.1349	-0.17454042	401.13425	31771	34104	24523	70516	43592	15606	10125	20251	24181	89257	47518	13639	34658	12972	16450	23476	14609	25242	58748	79124	98882	58791	15115	30501	13964	53699	14251	37916	13898	11164	15270	21219	18869	26370	111906	16439	22954	12340	24613	67098	98459	14229	0	0	0	59443	67836	0	21489	30500	35883	27620	17620	0	29279	20781	9678	43272	13173	23270	26597	51846	31926	26903	10983	23532	13981	21845	76528	103000	260582	13583	11761	9484	11609	17234	0	10775	25167	39558	15215	31421	13670	43812	21006	11898	20158	15917	15173	39687	22809	36692	39581	58525	77068	0	37724	33230	17895	23314	23179	21012	11980	25758	24246	22230	17731	0	16141	31999	Phytochemical	0.35	1.0	0.1
8	C18 H24 O10	401.14423	401.14474	-0.1974539	401.14413	64258	74044	25696	61008	28674	13240	21285	73358	24047	64950	26176	27306	54364	8710	54332	37462	62772	41158	30123	72382	81796	75574	57400	75046	29646	9884	46530	14140	70452	31836	30412	68088	55760	46100	75086	64466	65054	54414	35518	23768	28141	35824	0	0	0	52798	62188	0	71846	64594	60566	54834	18161	0	36048	34166	13857	53184	61780	29923	32317	19740	30312	26605	12551	22417	17207	60924	15525	13557	16252	57578	74942	68120	45842	63552	0	52748	31086	12523	25270	33614	17559	27034	23126	13259	46786	28602	17940	47402	10196	27401	33019	16981	36944	0	54968	38202	33046	22494	25131	62332	49522	95210	26288	51830	17682	0	32376	27861	Lipid	0.5555556	1.3333334	0.0
6	C18 H24 O10	401.14423	401.14484	0.05498266	401.14426	325338	169074	120312	159293	81738	93738	124115	462355	271656	175123	115326	167766	279936	69844	295925	527004	511416	137142	181634	155934	206658	347652	299232	261772	88794	62130	230004	0	305712	212326	233154	348336	534096	290484	210418	409931	357264	136652	446832	136800	0	252612	0	0	0	109476	190332	0	449532	340884	174942	266328	163332	0	212472	114192	86453	159804	309240	423612	364392	84996	261252	154962	171720	115020	194594	270396	0	103553	231156	154011	194735	196447	203384	435932	0	135414	306396	62460	270216	170100	136710	68130	189900	134928	275076	203871	125039	404208	0	154638	456877	84240	129888	0	156816	159030	197820	215615	126126	395424	259740	386532	0	194953	222768	0	111724	152820	Lipid	0.5555556	1.3333334	0.0
2	C17 H24 O9 N2	401.15546	401.15613	-0.1949039	401.15536	9759	8767	9091	9520	9613	0	4472	11530	10330	4721	4031	8995	17708	3580	5098	1756	8661	15951	13663	5830	10747	11651	7815	8489	2659	0	0	1921	14368	5518	11743	9555	19482	10851	8920	9649	12313	4889	9944	6326	5685	13239	0	0	0	3644	3880	0	11144	7447	9601	10308	9648	0	12023	5490	4857	11752	5855	5593	3559	2406	18772	15772	5490	15480	11505	13236	0	2376	1469	10772	11662	8075	870	8077	0	5579	6621	0	4966	2020	3375	947	8141	4496	6095	11497	10843	14259	8534	10051	17850	3609	1227	0	8305	9457	5608	7793	6659	8862	7664	7319	2728	13064	5100	0	4290	23321	Lipid	0.5294118	1.4117647	0.11764706
12	C17 H24 O9 N2	401.15546	401.15598	-0.16629292	401.1554	48088	38066	54721	49894	23861	34906	49532	80560	44127	35589	19730	32760	50772	12281	65610	54287	39804	66298	64806	48744	41339	64829	60179	68514	46613	3570	32095	15726	79147	47854	64719	63177	93044	53001	54067	65992	80484	55722	40343	45904	34274	45769	0	0	0	48619	23195	0	59727	64140	54679	46648	33908	0	86129	27630	26486	68336	77893	33383	63675	39678	49081	42700	19453	45690	46604	32158	0	19770	9716	56008	53898	71668	31987	46057	0	52518	33723	0	36306	27756	34802	13454	24688	28328	39203	32677	46246	55846	56930	87008	107239	23324	24887	0	57641	62077	22879	15293	17773	77495	42094	59544	24273	76549	23432	0	41489	70592	Lipid	0.5294118	1.4117647	0.11764706
4	C17 H24 O9 N2	401.15546	401.15613	-0.19417956	401.15536	11843	13731	10343	12186	9600	7134	4336	12871	12294	6491	4623	8784	19832	5157	8617	14004	15011	17579	17088	7815	8182	20772	10461	15451	5310	1260	4612	0	10612	8628	10336	10466	15675	8602	11455	10702	13854	8175	18013	6459	8582	10171	0	0	0	9409	10065	0	10496	11042	12211	9866	9501	0	18379	10226	6814	12777	9633	11032	13664	5014	23272	14545	6923	15387	10319	16030	1497	0	2309	9326	8884	9383	5605	7989	0	8376	8498	0	6748	5498	5227	2261	11261	7514	6746	11211	10538	17441	12591	11595	21609	5060	4463	0	10933	14860	6868	10736	11048	14156	7965	16337	5670	15540	8358	0	5834	26143	Lipid	0.5294118	1.4117647	0.11764706
8	C17 H24 O9 N2	401.15546	401.156	-0.22149204	401.15536	61497	57757	41554	51267	23839	28616	34377	69207	38476	33491	23869	43410	46886	11114	58552	66230	52689	49995	61704	42046	38216	71433	56372	68097	29721	2990	31356	13121	59976	47638	54049	59146	68378	55133	56339	57530	72449	46052	50265	37226	38554	35448	0	0	0	44347	33220	0	66059	57372	54812	55727	29760	0	62341	29307	21827	60885	58853	36864	71359	30260	53587	51466	26220	45293	40706	57716	7841	9819	17129	55224	49315	50004	33297	44361	0	41667	42541	15793	35675	22651	33446	13812	32595	30378	40625	39267	42875	79047	34278	76711	102318	29639	32402	0	53348	57865	25551	29096	26539	66103	41998	70298	22520	65254	31093	0	37525	73436	Lipid	0.5294118	1.4117647	0.11764706
18	C17 H24 O9 N2	401.15546	401.15585	0.04861621	401.1555	14994	16036	8196	26190	8800	10256	3576	15849	15097	13779	18656	14756	12178	0	26658	31198	12660	17224	15518	36770	14588	13382	13898	33011	16042	9167	11456	13439	0	10718	27792	11728	15547	0	6486	0	17840	9922	15593	14953	7386	10136	2758	1208	0	12929	10200	0	15645	12472	17095	21580	10238	0	9960	0	11156	29324	15525	10226	17666	16044	12608	15774	6204	10025	9372	17235	8121	3727	17890	38056	16352	15102	56527	0	0	15402	9781	6356	17963	7656	9010	11812	27022	9118	17564	22924	11376	11586	23052	17569	25554	8780	9890	1398	10590	16362	11535	9320	7791	12842	9754	18286	8286	16032	15908	0	11364	11986	Lipid	0.5294118	1.4117647	0.11764706
6	C17 H24 O9 N2	401.15546	401.15604	-0.23574616	401.15536	32715	35382	30768	34943	19908	17937	17343	42744	27478	22373	15475	22855	34133	8649	28776	41659	30374	35332	42290	21407	28665	45853	30777	46968	13705	1630	18724	7150	33688	34234	37699	36554	51842	32083	33956	33926	46365	29545	43492	18015	23451	24809	0	0	0	26752	23878	0	45004	34988	31895	31671	24390	0	39543	18083	16599	38445	30356	29542	43801	15979	45732	28757	14447	30972	30434	46510	3028	5153	5424	33057	31438	33186	17377	25255	0	20049	20570	9958	17825	10941	14842	5732	24065	23146	25790	29705	32593	49137	21293	36771	71741	18602	18984	0	33514	30536	14366	18220	21086	43027	26148	43977	15265	45013	16088	0	17481	57020	Lipid	0.5294118	1.4117647	0.11764706
14	C22 H24 O7	401.1595	401.15997	-0.18144968	401.1594	247547	259011	250318	265489	183361	131715	210707	245903	178209	362114	278689	170481	163284	106747	178500	284255	241074	165065	197767	414625	399419	275807	198974	280382	167702	524698	174483	223688	199308	225336	208108	268084	232712	173407	372197	220764	206053	181958	246203	289032	354457	125336	6847	1743	1633	246621	292419	2775	238184	233638	244615	236988	149255	1394	183258	135796	127902	275865	229237	246837	260298	199558	188797	182130	101601	171625	136280	237961	496899	561236	1424548	197432	199498	225534	210861	229742	1800	158082	265580	161927	246707	204316	203654	223929	206029	120374	240933	126841	145174	314248	206358	197581	267768	168486	204002	3589	258870	239063	161141	191381	172485	227819	161727	269220	216553	208877	158049	1482	212312	174905	Phytochemical	0.3181818	1.0909091	0.0
20	C22 H24 O7	401.1595	401.1599	-0.1299632	401.15942	593786	651189	602004	534738	555398	431536	256025	464893	561462	1312970	818607	284482	716155	372993	400302	470870	264418	648756	716288	1445589	1454869	677368	430462	519151	342326	1952611	242478	741618	410540	358073	349589	369206	480819	408252	1434703	339245	514411	300442	291355	925599	815993	306151	18006	6672	3011	601064	562633	6487	418695	370640	611193	601908	438804	4721	527018	482478	296261	468866	392061	282655	445545	646218	700371	473575	253043	576968	399458	319944	1546651	2361326	2325146	440632	385504	357993	284537	378586	3291	320534	529139	422370	438273	396621	345127	681442	558956	323643	474076	350777	355131	396114	499458	522334	626589	460003	560537	8472	624618	621418	481522	490718	481819	405240	291595	528961	396721	420288	436131	6383	353673	750181	Phytochemical	0.3181818	1.0909091	0.0
18	C22 H24 O7	401.1595	401.1599	-0.1287914	401.15942	669590	693568	608820	590474	544976	381888	329350	575045	471416	1276581	825879	346889	612460	362364	415780	571484	378067	590569	691711	1381738	1276677	632301	487805	595728	351411	1933057	321431	697902	448449	442934	465612	488376	542111	465699	1234354	468552	519237	381234	408682	911710	816281	336176	14631	3114	2684	597536	563594	4125	506507	453932	649096	629219	437748	3704	568989	455364	311580	542375	395638	368369	517777	592844	673134	441989	267839	572569	395353	432989	1557188	2118523	2475361	486065	403236	451435	386593	503016	2698	359510	601865	411985	540408	464618	363106	627428	604028	364068	534455	342850	394275	480449	560797	566255	672953	409360	635766	6046	661212	594120	491026	473407	493282	485106	339373	553277	348577	437988	401292	3163	394256	653233	Phytochemical	0.3181818	1.0909091	0.0
24	C22 H24 O7	401.1595	401.15985	-0.16793883	401.15942	122687	132666	118357	134450	148448	108137	38294	81481	138425	285605	171899	49838	226045	87396	79045	94535	56351	177344	184324	265981	285755	139260	95275	98448	73272	360923	38689	162022	65774	67367	60183	70250	91306	62896	326293	66508	99294	62113	59611	193344	176198	64070	7268	2524	5779	140496	137717	3054	80694	63656	130854	134368	109849	5104	158329	131922	70148	92796	72927	47491	96498	131632	189351	128532	60066	172127	101987	55579	348908	473223	483167	78253	70850	51863	47770	65628	0	59860	130748	89312	101093	92736	59735	128317	170723	77374	121370	67574	84216	91254	90927	107225	129163	108958	158465	5298	133688	140621	112024	147381	132766	84831	55413	104746	95440	88268	104399	3232	68169	195688	Phytochemical	0.3181818	1.0909091	0.0
16	C22 H24 O7	401.1595	401.15994	-0.15231016	401.15942	461816	474577	437281	446367	362051	235507	283378	440497	372332	735633	487781	286314	394887	236059	320980	423774	323021	349630	425227	866705	856252	418709	373401	449421	276124	1250538	264166	433333	321427	359088	359135	389772	422132	304541	768971	364788	385488	301407	390385	554781	617483	239507	10081	3585	2872	405892	446381	3324	431766	778704	450298	482781	286887	2832	353634	297806	233786	468008	311819	352035	415907	361694	432023	303337	173390	359054	271828	336861	996886	1383557	1597538	376369	383620	375396	329178	386802	2658	270474	482322	302549	386015	339098	321938	462527	413591	215502	410413	250395	267599	539033	363052	379194	496144	302201	424298	4844	443810	455332	314501	329561	353054	359443	255674	414996	264355	400579	331592	3136	336250	396344	Phytochemical	0.3181818	1.0909091	0.0
22	C22 H24 O7	401.1595	401.15988	-0.13147397	401.15942	371009	374008	327798	339848	347193	275690	123585	237260	367930	866325	518071	144038	401352	249536	215201	226820	147961	430918	396293	821603	856230	381289	222432	258926	206490	1063748	121822	496861	221835	183769	213401	209591	273481	203695	903444	201299	290682	187037	154383	514194	436759	185937	17594	4070	3756	394730	328203	6142	222833	188874	345725	351785	279063	4775	361441	305976	188385	247768	204697	139503	261603	395736	436232	305851	152144	409861	250361	157232	905400	1494689	1366864	234389	178944	161221	120562	186475	3457	187497	308147	222654	252472	248956	171243	360037	376510	224815	274975	190413	214059	209649	293359	337633	332206	310051	412853	6772	322555	337588	299763	315911	286837	233283	154483	262580	234572	233373	280887	5414	178904	477548	Phytochemical	0.3181818	1.0909091	0.0
28	C22 H24 O7	401.1595	401.15988	-0.20793536	401.1594	25237	22576	24190	22564	28321	15654	9098	14795	26851	42234	21955	6897	44075	17135	15670	19278	10053	30026	32727	42412	41768	24444	17291	19486	12560	48236	9957	23535	12198	11395	13511	12862	16617	11148	47315	13672	14214	12021	15052	24048	28664	13277	3255	0	3296	20721	24179	1548	15412	13594	22827	25572	22804	0	28092	31392	11767	19233	10417	8366	18205	15140	33376	19302	10894	34111	19588	14977	56173	75863	85579	11192	11367	10985	7982	10785	0	12031	27147	20428	17114	13351	8481	22395	39921	13535	21535	13195	14346	14106	15347	17990	20739	18953	28121	3225	21333	23716	18522	54109	54123	16276	10228	17661	13946	14410	27026	0	13401	30332	Phytochemical	0.3181818	1.0909091	0.0
26	C22 H24 O7	401.1595	401.15988	-0.20545438	401.1594	48839	46248	48351	43991	62192	33064	13619	27720	52184	86713	52410	21792	89443	42295	28066	35800	18769	62291	69677	93153	107855	57966	35731	38047	22692	118507	12309	50928	27900	20939	23343	24472	33328	25817	93261	29145	35450	24903	25591	66033	70155	24874	0	0	0	47922	51423	0	30524	25961	53430	46279	40819	0	58582	55166	25737	35166	23097	17018	40328	41583	72324	53493	18714	69691	41678	24291	128274	167124	182140	25496	23348	19175	16782	29796	0	20884	50379	39162	35465	35104	20516	41341	74670	34461	44656	27876	27628	31454	32646	32994	44468	38012	52488	0	47420	51716	40467	67937	60513	30484	20378	29741	25330	28276	39298	0	23351	74773	Phytochemical	0.3181818	1.0909091	0.0
8	C16 H24 O8 N4	401.1667	401.16736	-0.012428047	401.1667	41612	46566	37524	42391	20745	20513	21026	39096	19747	86973	45084	27399	27781	14936	31332	50936	37613	17340	32689	95245	97059	57480	32132	50942	26492	56034	23246	46192	34686	33600	32051	38485	45364	33099	88303	33927	39492	27229	43137	74825	60785	24309	539	0	0	47797	55029	0	42542	32744	40729	42473	23129	0	25532	16656	16260	45889	8314	20529	35484	36021	21265	21317	10165	25490	19634	34952	54404	100962	95420	39116	32038	26265	33084	32967	0	23762	42781	57162	25128	20693	16661	45483	16025	11862	40141	24241	23925	71071	48605	41131	78869	46624	67258	0	39730	43691	12923	17004	17977	40953	21342	39360	14845	46050	12001	0	31501	20823	Peptide	0.5	1.5	0.25
16	C21 H24 O6 N2	401.17072	401.17114	-0.23222181	401.17062	55506	54289	54304	56803	33236	33381	40433	48747	24305	90330	64652	34395	24298	26750	37966	58222	53338	40838	50620	104985	110172	86472	40733	73343	44479	93073	39814	56828	47790	48245	41586	61104	63331	47465	93666	46673	60633	32014	62665	105844	104748	31694	678	0	0	72075	71206	0	59527	52094	49395	55910	43420	0	30046	26673	22098	64749	38172	47157	58811	63407	32477	27511	17067	30163	26754	49359	59770	122044	129699	49501	37991	37317	43031	47142	0	33952	44357	62576	33134	52406	51339	69035	24650	18660	53288	41307	34124	76142	74717	83121	111842	62672	102440	0	64823	60684	18409	23970	22724	54090	30130	57068	37296	70418	21333	0	45558	40530	Phytochemical	0.2857143	1.1428572	0.0952381
12	C21 H24 O6 N2	401.17072	401.1712	-0.24965906	401.17062	50792	50772	58814	46588	23835	24828	34958	47918	22017	98511	58704	32322	23551	18135	35707	40898	56902	27683	42624	115783	118658	75343	36310	43051	38880	109559	26748	56922	42060	40325	41961	48212	60743	41725	130276	43128	52696	32512	52773	121222	117463	28014	443	0	0	81883	84966	0	48369	46829	43682	53805	27717	0	26848	17067	19264	59307	31105	37144	32270	60230	22369	22308	15350	29318	29849	64069	92332	157387	152114	39983	37789	35252	39608	41982	0	32350	39024	53035	37014	42182	29299	66793	18968	18306	40096	27782	29427	100766	59466	58945	68961	64997	90337	0	50193	60776	19161	18851	18569	58574	28941	56409	31463	54572	18597	0	33381	31351	Phytochemical	0.2857143	1.1428572	0.0952381
6	C21 H24 O6 N2	401.17072	401.1713	-0.24366024	401.17062	20154	26009	19986	22963	10189	11737	10089	22146	9527	46544	25827	12476	17240	8807	13367	22345	14653	13631	21440	49250	62074	32850	15731	29108	11945	36993	11362	26549	17380	13478	15416	17192	22939	19133	51992	17067	22905	11679	20762	36195	40283	11890	0	0	0	27735	37301	0	22382	16913	23251	22946	11574	0	11957	8240	7546	23336	4198	10738	25890	24612	11457	10770	6236	12916	12078	22790	29950	56976	59754	19130	14976	13837	11287	12981	0	10292	16139	18494	13253	12064	8695	24698	7308	8742	17797	11620	11140	33638	23872	22672	32046	26529	46131	0	23606	22153	8309	8350	10514	20558	12319	27648	13718	19001	8940	0	13648	11461	Phytochemical	0.2857143	1.1428572	0.0952381
22	C19 H28 O9	401.1806	401.18106	-0.091423295	401.18057	19142	11261	15782	15641	8728	13303	9713	21612	15556	19971	7604	8255	17148	10834	20985	8258	4060	16839	19033	20945	13091	13763	13253	17364	14360	5087	3561	0	26822	17665	21519	19684	23734	17693	32729	22659	29241	16969	5663	11720	1548	9199	0	0	570	13143	3651	0	16149	22030	15489	14486	8968	0	35572	8953	5961	16692	19359	0	15006	8912	17302	18663	5554	18144	11933	3510	3154	12243	0	16140	24726	25304	4705	14587	0	14971	11524	2874	11340	4589	9290	6498	13117	7624	9188	5318	10309	0	17639	26709	19603	6627	11826	0	17122	14151	6669	6714	4786	19864	9885	18082	6614	14727	6506	0	9456	19506	Lipid	0.47368422	1.4736842	0.0
10	C19 H28 O9	401.1806	401.18118	-0.20396645	401.18054	240810	350400	385640	298640	91350	84180	198480	304400	95740	131840	111540	327205	102120	44140	232125	515060	249630	132860	320420	440025	221200	438340	299840	285270	336280	122220	362140	72130	571921	551680	251800	365590	492120	174490	301120	685040	240190	302260	225120	120945	133565	143970	0	0	0	190420	124350	0	557300	267540	169900	214990	132450	0	185920	111290	86040	478755	399780	137410	300440	54710	122460	120970	78800	130460	119770	270130	0	80880	78380	403660	251180	663500	246895	514140	0	384500	186750	0	176030	211180	172600	72510	137620	109240	194695	96260	106370	205710	102240	315240	551140	91835	124620	0	380980	533940	104780	127140	121140	283640	159960	264360	0	431140	95590	0	185420	122500	Lipid	0.47368422	1.4736842	0.0
20	C19 H28 O9	401.1806	401.181	-0.19761308	401.18054	66760	63738	65834	55061	52572	65400	35375	88719	84275	103026	25145	31627	110085	34182	90514	57695	13546	114354	123757	112730	67548	73858	70742	76602	75418	13582	31032	33925	110594	66896	86997	81760	103387	77201	142397	80731	116297	56626	16077	65091	10045	50255	1500	0	372	43965	12018	0	74624	62341	60361	63817	49117	0	189389	67282	31928	58016	112080	11341	61318	41392	105923	101301	25155	68637	59902	17052	11354	48824	12629	73839	78040	96130	20289	61757	330	68369	42899	19804	41719	21322	41955	33360	35391	40882	35669	30469	52241	16363	85716	113183	97160	28006	34058	701	69221	82222	40679	31519	33404	94359	49921	82003	33015	57891	37880	0	39510	135183	Lipid	0.47368422	1.4736842	0.0
10	C22 H28 O3 N2 S1	401.18933	401.19025	0.828506	401.18967	16492	12079	12782	14339	7675	6182	12729	19547	7329	8527	0	6150	10889	4679	14141	22344	9568	17357	12969	11882	10623	21726	14325	20435	16278	2776	9052	0	19888	16015	15970	19681	24224	18458	14470	17550	25861	11894	10086	9600	6626	6435	0	0	0	13125	5943	0	16091	13669	16041	14292	8305	0	14791	5089	5083	20385	17162	7956	22795	4764	6907	7751	5202	11489	9536	10366	0	3391	2177	17221	16415	17682	13011	11453	0	10207	11308	11116	9247	8775	10899	4719	7217	6436	14834	7097	11321	18010	46889	28783	34400	7837	8387	0	15216	17253	4961	6133	5280	17364	10366	12524	0	17405	6598	0	11997	13346	Organosulfur	0.13636364	1.2727273	0.09090909
4	C18 H28 O8 N2	401.19183	401.19247	-0.19689767	401.19177	8685	9902	8306	8429	6336	5763	5988	9409	10031	5341	2681	4389	14659	1823	10119	11732	6145	11957	11917	7691	6622	13627	8220	12272	7829	0	6017	0	11287	7207	8954	11619	14737	8138	11038	10405	13819	6923	9694	4976	2957	6750	0	0	0	6166	3395	0	13373	7771	8226	9310	7094	0	14557	6049	3330	11926	9258	3227	10362	3079	10627	8136	3221	9698	6295	7110	0	1990	0	8032	7939	10525	2179	6862	0	6480	5852	0	4513	2456	5730	1417	6775	5495	8363	5714	7609	9569	15986	21438	17469	3200	5472	0	7020	9345	4071	5850	7000	10307	5663	11872	0	9461	5638	0	5523	14733	Lipid	0.44444445	1.5555556	0.11111111
14	C18 H28 O8 N2	401.19183	401.19226	-0.20481785	401.19177	15710	15425	13600	13586	6536	10964	8499	19463	10306	7194	2489	6394	8684	3432	22831	12901	6844	16742	13396	12016	7258	22953	10472	20819	22520	0	9587	0	20393	13419	17745	13234	22926	19551	9588	23492	28424	12785	8607	6679	0	8535	0	0	0	10394	0	0	15583	15486	11932	9231	7996	0	14850	5726	6661	21304	19955	6185	0	3019	8086	7539	5320	9279	8889	9368	0	2870	3803	19327	11428	18875	7755	14938	0	10551	10048	0	7334	7542	9912	4949	3925	6680	12529	6494	11084	14341	44295	48138	29196	3365	7746	0	12240	10462	2565	5437	4063	23170	9944	10101	0	15922	2574	0	10724	12430	Lipid	0.44444445	1.5555556	0.11111111
8	C18 H28 O8 N2	401.19183	401.19232	-0.2617002	401.19174	15917	15837	14070	15866	7639	7330	8397	17381	9291	10129	4400	7738	14253	3843	16433	19099	8232	12449	17242	8921	9570	23856	14228	24426	13088	0	8535	4221	18488	15275	14383	20680	23886	13370	17356	17407	22606	11094	10907	8307	5191	8136	0	0	0	14117	7474	0	21753	11860	16337	11176	9547	0	16818	4525	5793	20651	17875	4357	23513	5752	15673	11289	5521	14517	9033	12156	0	2523	0	16309	15359	17009	8424	15278	0	12226	10052	0	9189	5976	9687	3285	5171	5597	12673	9658	8917	20119	20738	31179	32540	4587	11506	0	13403	15485	4526	5362	5546	20068	11539	18348	0	19111	6380	0	9995	14625	Lipid	0.44444445	1.5555556	0.11111111
10	C18 H28 O8 N2	401.19183	401.1923	-0.2123695	401.19174	16492	12079	12782	14339	7675	6182	12729	19547	7329	8527	0	6150	10889	4679	14141	22344	8265	17357	12969	11882	10623	21726	14325	20435	14271	0	9052	0	19888	16015	15970	19681	24224	18458	12969	17550	23054	11894	10086	9600	6626	6435	0	0	0	13125	5943	0	16091	13669	16041	14292	8305	0	14791	5089	5083	20385	17162	7956	22795	4764	6907	7751	5202	11489	9536	10366	0	3391	0	17221	16415	16171	11448	11453	0	10207	11308	0	9247	7914	10899	4719	7217	6436	14834	7097	11321	18010	16058	28783	34400	7837	8387	0	15216	17253	4961	6133	5280	17364	10366	12524	0	17405	6598	0	11997	13346	Lipid	0.44444445	1.5555556	0.11111111
24	C23 H28 O6	401.19586	401.19623	-0.15041824	401.1958	444115	451213	420897	440977	431345	321116	175591	365199	395674	799138	600668	199105	566459	262719	295467	376553	251103	506140	613386	954601	967192	443286	317953	405042	270003	1276343	155622	572316	365940	342423	305197	336959	399539	334890	976312	363208	513130	229841	273585	625632	535130	239782	18753	4572	0	414436	337744	6869	358618	280764	427745	423101	320641	7327	442187	356307	213278	392226	321065	189533	414851	423861	450669	342446	164351	499179	316534	262299	1129409	1520736	1533538	363128	319459	324855	243279	336750	0	254178	378625	254342	301972	256635	252625	417833	402959	239771	356722	236874	305886	276630	395387	421136	521483	331289	485877	5442	442722	435794	279345	347650	346174	422366	206212	455664	273382	365546	285921	3601	252833	493192	Phytochemical	0.26086956	1.2173913	0.0
26	C23 H28 O6	401.19586	401.1963	-0.16187118	401.1958	116223	118456	113373	103523	118375	78823	55945	107900	112160	162131	150934	64482	158371	95528	81082	97137	77838	145199	166241	237321	230927	121415	82018	120448	82353	299827	49018	143018	111631	142074	96379	112678	114669	83554	225685	151721	144386	70320	84015	154359	142564	69641	4823	0	0	99603	90156	0	112473	83352	118754	110856	93095	0	121541	122291	71140	106963	78426	48001	114131	96573	133065	97869	53233	132450	104488	94341	323762	362840	377581	94005	93514	147483	153660	118253	0	71035	118140	78151	85193	74854	70533	121339	126085	78110	109504	68040	83840	77793	93002	101376	150380	88994	121750	0	119931	122764	82921	136685	144319	140970	67065	116784	78213	85013	96667	5302	78636	128610	Phytochemical	0.26086956	1.2173913	0.0
22	C23 H28 O6	401.19586	401.19626	-0.13048944	401.1958	926035	955416	811674	912952	852511	630083	425837	818581	781919	1593103	1180867	452157	751163	530811	643040	789062	581654	902711	916562	1920698	1995461	895209	661161	915247	621525	2616657	413606	1099156	792868	693215	680443	749553	895633	746491	1653862	805336	945425	538468	575471	1208904	1091581	519029	29301	7500	3725	799840	708802	6813	753861	682079	935295	879585	670505	5547	838332	716665	463218	839774	627026	479462	879523	794179	853012	690902	365833	815676	625988	621012	2224857	3198049	3249954	729913	658528	660650	498902	685798	2477	535179	834860	493651	672728	523222	574650	803971	812362	562409	782696	575560	617653	664276	809473	900150	994523	651813	934710	9161	817513	965921	609050	773507	654530	893891	485043	881909	502491	762801	632988	5980	570657	962624	Phytochemical	0.26086956	1.2173913	0.0
28	C23 H28 O6	401.19586	401.19626	-0.2125699	401.19577	34471	29639	30556	29995	37847	20008	16865	31042	27118	41831	30927	15838	43011	24681	21969	32990	27717	32247	44839	42554	49880	31383	27711	30084	17764	74381	17802	33616	27894	25612	22098	28402	34934	19015	50322	32204	31290	16516	26508	30960	35041	20942	2890	1471	3394	23306	21367	2328	31269	26987	30076	27589	26084	0	28474	32918	14576	31228	17124	20363	30626	19031	33156	25150	15767	41533	28226	24674	71509	86849	103132	22734	20015	22645	21378	23562	0	17781	29418	22096	23251	15540	17746	29697	37463	17715	33408	18981	18247	27326	26541	27272	36334	23578	29152	1806	28396	31629	22762	44268	43538	35582	16467	29779	16458	30266	21712	1861	18333	29731	Phytochemical	0.26086956	1.2173913	0.0
6	C17 H28 O7 N4	401.20306	401.20364	-0.16281216	401.203	8050	7727	7321	6230	1888	3628	2281	3915	3280	1713	6087	1458	8576	622	4128	6397	2159	2294	2278	1161	0	5444	3754	5880	4696	0	1967	38004	3268	2840	2964	5672	5436	3571	1226	3575	4236	3528	3642	0	606	1016	0	0	0	0	0	0	4204	2882	8192	7594	1156	0	3876	1107	931	8397	1444	570	5532	0	1973	1537	1309	5635	2403	3636	0	0	0	3758	2778	2059	0	2493	0	2042	3036	200756	1921	656	1176	0	2464	1973	3874	1836	1804	7877	289383	90760	9747	27123	7247	0	7102	7501	1108	1284	1665	3987	2308	2838	0	5029	1741	0	3467	2802	Peptide	0.4117647	1.6470588	0.23529412
0	C17 H28 O7 N4	401.20306	401.2036	-0.2272778	401.20297	2544	2539	3257	3107	3178	0	0	2987	3653	0	1078	1592	2868	0	1529	0	1673	3392	1392	0	874	2819	1989	2309	1576	0	0	5436	3420	0	3440	3288	6092	4025	0	2256	2734	2009	2799	0	0	0	0	0	0	0	0	0	3081	1636	1620	2204	2223	0	2518	1177	0	4413	867	471	0	0	0	1563	1055	3575	2819	2977	0	0	0	3388	4036	2234	0	0	0	2031	1638	33706	989	0	0	0	1115	1195	1646	2011	2540	3546	28123	7469	5273	5811	0	0	2867	3095	1680	705	0	2262	0	0	0	3315	2576	0	1345	3858	Peptide	0.4117647	1.6470588	0.23529412
8	C17 H28 O7 N4	401.20306	401.20358	-0.08891218	401.20303	2020	2278	3059	2096	0	1145	2050	889	0	1680	2049	0	0	0	1560	2723	1881	1604	0	0	0	1292	2020	2269	2375	0	723	15264	1034	1733	1845	1711	2222	1873	0	2664	2392	1582	0	0	0	0	0	0	0	0	0	0	1383	0	0	2729	908	0	0	0	1366	1884	1521	0	0	0	0	834	0	954	919	1913	0	0	0	1286	1239	1297	0	1167	0	1075	2415	38769	1323	0	0	0	0	0	2454	778	1299	4370	75506	30350	5644	5636	0	0	2430	2784	1078	649	0	0	1076	0	9285	3321	0	0	2009	1446	Peptide	0.4117647	1.6470588	0.23529412
2	C17 H28 O7 N4	401.20306	401.20374	-0.26577425	401.20297	14345	14891	11086	12641	5019	40626	3461	5313	4576	2357	15358	3246	6572	2123	4368	1698	5702	7454	4772	890	1023	4962	4033	4379	3483	0	0	84698	7741	3186	5735	5195	9159	6030	3220	4697	7269	4312	7333	732	693	3963	0	0	0	1105	842	0	5415	2886	13856	14630	4467	0	6009	1678	1730	8912	984	966	1936	0	5012	3947	2371	6345	4512	9462	0	418	0	5345	4586	4047	548	3175	0	3226	4504	669975	4171	0	998	494	3589	3481	4549	5363	4446	13770	400594	159661	11381	69303	1120	0	11317	11319	3252	2482	2384	5126	3379	2346	932	6199	3190	0	3345	7251	Peptide	0.4117647	1.6470588	0.23529412
4	C17 H28 O7 N4	401.20306	401.20367	-0.23224631	401.20297	10905	10331	9921	9486	1658	3344	2264	3328	4130	1950	7695	1358	3982	1039	3585	3540	1894	3388	3373	0	0	4328	3417	4843	3675	0	2012	44101	3003	1806	3460	2642	3402	2204	1036	2469	3712	3076	4958	0	0	1223	0	0	0	0	0	0	2251	2908	10288	8291	2128	0	5860	1671	1417	4268	1406	713	6805	0	1570	3164	1282	4009	2155	3460	0	0	0	2125	1755	3229	1230	1833	0	2066	2814	408092	2193	911	1018	0	2590	1995	3612	2025	0	6165	556969	174993	7249	37607	7095	0	10622	9204	2220	2540	2923	3730	1837	1373	0	3704	3235	0	2157	3767	Peptide	0.4117647	1.6470588	0.23529412
8	C22 H28 O5 N2	401.2071	401.2076	-0.2866073	401.20697	14537	15065	13032	16988	3808	159520	8712	21259	2272	21707	11416	8227	4346	3142	10784	22151	13735	6800	5494	37890	30237	17206	10575	21717	16176	18639	7075	13427	18162	16108	17850	19126	22462	14621	27847	17338	25773	7617	14041	25577	13714	16143	0	0	0	14639	16318	0	23894	16871	11164	13662	5536	0	4475	2807	3103	14425	0	1814	15313	10298	2238	1953	2343	5658	11633	15297	13888	26950	23381	19586	11805	12037	12341	14897	0	12387	9800	10161	7821	3268	1881	15724	1453	0	9396	7527	7706	26093	21108	0	26815	9859	27104	0	18620	17585	2799	1449	0	23029	9718	13824	0	19641	2057	0	9205	2374	Phytochemical	0.22727273	1.2727273	0.09090909
12	C22 H28 O5 N2	401.2071	401.20758	-0.2171663	401.207	11289	11904	12015	17941	4699	6599	7713	14638	3678	23216	15676	8210	3323	4189	9079	16060	12430	4553	5150	37473	35289	16314	8795	13972	12268	22947	4085	23657	15704	15609	10370	14566	17812	15225	33650	14627	14547	9743	13504	25684	14549	6378	0	0	0	12325	14599	0	18370	15641	18205	17330	7612	0	4051	1420	2159	21814	0	0	0	12206	3674	1830	3750	3333	9725	15316	17810	40917	36145	16266	14762	13073	9641	9496	0	7666	8655	0	8250	3342	0	20748	2526	2595	7403	8152	7870	23657	24360	8526	19658	15281	22081	0	16531	13933	2803	1388	1063	16203	6554	12582	0	17349	1430	0	8768	2247	Phytochemical	0.22727273	1.2727273	0.09090909
10	C22 H28 O5 N2	401.2071	401.20758	-0.2333897	401.207	14269	15757	17508	16923	4174	7193	10289	17995	3718	24380	18923	8003	5203	4639	9108	11277	14466	5908	6309	45858	30400	17153	10829	25349	14815	20308	8106	23162	16704	13718	14554	17673	18137	17958	30136	12854	24725	7353	18020	27504	14131	6824	0	0	0	16913	19179	0	22951	12175	16120	14662	5435	0	3393	2835	3935	21829	0	4817	18797	7061	3325	3824	3228	3800	9615	18737	21161	42195	28417	13980	14217	14712	10005	13549	0	9660	9747	12660	8497	3063	3115	16571	3683	2821	12973	8423	5969	25400	26585	12180	23362	18651	31010	0	11922	16039	2937	1313	2940	19135	8223	17974	0	16878	2416	0	8987	3937	Phytochemical	0.22727273	1.2727273	0.09090909
16	C20 H32 O8	401.21698	401.21738	-0.25222573	401.2169	9611	10429	9287	13092	5766	6465	22227	15668	5642	3744	2177	8688	6281	4653	13274	16656	10588	5555	6057	3683	5703	6393	8085	8652	7671	0	19156	5757	16440	15736	16224	19993	19016	13774	2100	16077	18336	12514	16804	2172	0	8051	637	0	0	5201	2230	0	19599	10910	7102	13028	7287	0	9436	5756	5866	16663	5382	2815	11585	1167	6664	8078	6699	7334	8105	14866	0	0	1528	9349	13135	21395	14551	16449	0	10041	7789	5293	5704	2791	26068	9246	11444	7455	10345	6473	5895	0	7607	6341	0	0	4433	0	10465	6827	5405	10419	13562	26045	10941	8890	0	0	4223	0	13183	5690	Lipid	0.4	1.6	0.0
24	C21 H33 O2 N2 S1 Na1	401.22333	401.22363	-0.272592	401.2232	3376	4117	3037	5006	3757	2958	0	0	2552	9968	8347	2769	4639	2265	1518	2746	2818	3795	6965	10616	9584	2218	2527	3821	2732	22534	1350	8035	3073	2179	1304	3075	3205	4891	6851	2380	4874	2099	2645	6743	5056	2567	0	0	0	5450	1521	0	3838	2734	4919	3938	3273	0	3028	3381	2218	5595	2711	2178	3679	3041	4852	2760	0	5120	2191	3294	17786	16170	17572	3419	2835	2818	1770	2274	0	2133	4167	1733	2778	1439	2329	3557	2240	0	4407	2102	2722	2291	2431	2743	4729	3033	3165	0	3330	4493	2704	1970	2153	4190	1464	5139	0	1963	2455	0	2746	4053	Organosulfur	0.0952381	1.5714285	0.0952381
14	C19 H32 O7 N2	401.22824	401.22885	0.06959305	401.22824	2049	0	0	1356	0	0	0	1980	0	0	0	1430	0	0	2695	4629	0	0	0	0	0	0	2128	0	2440	0	0	0	1747	0	0	0	1690	1481	1811	2830	1991	3400	3232	0	0	1151	0	0	0	0	0	0	4734	1764	1623	0	0	0	0	0	0	4218	0	0	0	0	0	2066	0	1277	0	2673	0	0	0	2180	991	0	1388	2441	0	1824	1839	0	0	0	0	0	0	0	1249	0	0	0	12108	3097	2102	0	0	0	0	0	0	0	0	0	2248	0	23306	2639	1176	0	1747	0	Lipid	0.36842105	1.6842105	0.10526316
10	C19 H32 O7 N2	401.22824	401.22876	-0.16745634	401.22815	14704	14408	6162	11084	3136	7770	59814	95628	0	8574	0	71162	3870	0	82508	41680	59268	3470	6554	12124	10840	4050	56248	71632	43530	0	14068	30638	59696	30352	35850	21958	18798	42478	4094	35504	20596	66286	36932	0	0	15242	0	0	0	9292	0	0	29838	71070	11172	10290	3646	0	2740	0	5274	36544	0	0	24926	3456	0	0	16576	2570	15972	8634	0	3572	0	30016	19206	25982	6876	15554	0	51250	26296	33108	14926	1186	3560	2120	1680	38246	13662	3946	8334	12994	17848	9600	32114	2010	0	0	15488	9862	0	0	0	14190	34280	20936	0	20774	1696	0	30790	3290	Lipid	0.36842105	1.6842105	0.10526316
6	C19 H32 O7 N2	401.22824	401.22882	-0.17295957	401.22815	5348	4192	5660	7130	1930	5373	4292	10400	3508	0	0	4086	2682	1346	5358	12014	2986	6050	6134	3170	2436	6416	6368	13228	9220	0	4186	11800	7466	5662	8946	10084	13352	8500	6274	7280	9672	3968	6488	0	0	3448	0	0	0	3520	0	0	10610	5712	7442	6294	3062	0	3974	830	846	16254	0	0	11098	0	3074	2104	1126	2844	4302	4474	0	0	0	7640	5588	5172	3704	5758	0	6606	3168	36004	2672	0	2398	2136	1834	0	6670	3358	4752	12204	13476	12830	18358	6200	3638	0	4978	7900	1426	2192	0	9406	5350	5932	0	9494	1566	0	4730	5140	Lipid	0.36842105	1.6842105	0.10526316
8	C19 H32 O7 N2	401.22824	401.2286	-0.22582568	401.22815	3010	2881	0	3643	1302	3171	1445	2224	1121	0	1165	1142	1147	990	3640	1751	1612	1110	2027	832	0	4492	1620	4174	3336	0	1767	30947	3771	2299	2907	3139	4079	1794	1058	3196	5072	1724	1282	0	0	1540	0	0	0	0	0	0	5022	2604	3428	2597	1367	0	1565	0	0	8717	0	0	4693	0	0	822	0	0	1867	2516	0	0	0	2725	1597	2791	2716	2461	0	1481	0	19336	1440	543	0	0	0	0	3701	987	2332	7161	12896	0	9017	0	0	0	2069	2432	0	0	0	2660	1188	2295	0	4995	0	0	2768	1491	Lipid	0.36842105	1.6842105	0.10526316
12	C19 H32 O7 N2	401.22824	401.2287	-0.13897474	401.22818	30671	25459	25343	53904	1251	2880	123319	23725	0	5848	19261	69305	0	1195	20070	22408	25923	2362	8325	2795	3738	7295	55181	50512	7673	0	62628	17410	10711	30528	21426	32960	24715	25160	7363	21205	17084	79351	47792	0	0	12282	0	0	0	16827	11594	0	63393	25567	26793	27227	6047	0	0	966	15916	59947	0	0	39403	0	0	1455	11143	4062	8508	66041	0	1611	1207	37907	22996	12359	22599	32290	0	26963	105267	0	151155	4921	3556	1627	1608	3342	65312	13174	13727	60269	0	2739	21859	3209	0	0	33624	33926	0	973	0	14757	56027	11777	0	18609	0	0	105196	0	Lipid	0.36842105	1.6842105	0.10526316
4	C19 H32 O7 N2	401.22824	401.2289	-0.15411302	401.22818	2162	2740	2058	3093	1600	1208	1502	2313	892	0	0	811	1708	911	2536	4259	1313	2109	1702	0	670	2539	1466	3171	2819	0	1828	0	2399	1601	2207	1461	3937	1398	1712	2235	3813	2331	2639	0	0	0	0	0	0	0	0	0	1935	2495	1933	2224	935	0	2037	806	336	3505	544	0	2502	0	1165	800	0	1267	1175	1297	0	0	0	1295	1790	1505	0	1629	0	1876	1654	180196	1068	595	953	0	369	746	3381	712	1239	4873	5474	6574	3946	4573	1024	0	1787	1963	503	1157	1484	2719	1158	2146	0	2318	812	0	1818	1466	Lipid	0.36842105	1.6842105	0.10526316
26	C24 H32 O5	401.23224	401.23267	-0.16217725	401.23218	326107	312988	298125	307855	351724	180815	174099	319585	287646	374827	480243	167011	328463	276216	211191	347178	246204	343902	489850	624563	547050	331521	184497	282876	256783	884534	167254	518001	336264	322169	280944	461215	365725	252811	555634	354560	403950	195151	244194	434832	388789	211463	17133	0	0	284693	229618	0	303363	254691	328146	320118	258230	0	307542	332143	186124	332676	270530	168841	305718	291926	271015	248422	205532	303044	293587	286564	806937	863128	882644	215351	258694	303345	215950	299332	0	213506	301417	376508	195269	210894	256617	325038	308463	203651	353238	202885	248750	336007	331255	378225	387236	308758	336145	5865	321962	357033	215262	347722	374029	410126	175341	349281	257983	261910	253245	0	233269	262417	Lipid	0.20833333	1.3333334	0.0
14	C24 H32 O5	401.23224	401.2327	-0.265419	401.23215	12273	14859	14490	11697	4289	4907	14481	10219	8445	5654	6898	11625	3163	3574	11696	19232	24897	2608	8712	5993	5210	6906	7588	12969	9096	5213	23497	0	11917	12830	10001	11298	10056	4624	5269	15032	6098	14560	34506	3162	6933	6354	0	0	289	7797	6489	601	13486	12961	15961	10169	6877	0	5357	7864	6078	14141	8288	15577	0	2483	4396	5274	5919	4786	5489	36005	0	8554	5671	5115	8475	13068	20894	10824	336	6884	14543	0	13944	7667	9445	4904	10339	9264	22517	3281	8561	32088	11326	7646	16965	6169	4884	687	15792	8210	8806	12586	13023	12949	11778	10948	0	8823	9040	0	16175	4408	Lipid	0.20833333	1.3333334	0.0
24	C24 H32 O5	401.23224	401.2326	-0.16509067	401.23218	766579	741160	715033	755061	792874	464111	447401	674480	601593	994183	1071356	421818	677223	465288	492552	863594	673434	736153	1109618	1344943	1321327	656271	481114	624900	475662	2214384	430648	992762	663373	671406	565474	688633	810207	585402	1210919	763873	855768	429378	734803	860961	947564	433325	22234	2368	0	556514	569227	5915	722155	606913	737051	690518	616804	7465	767892	631984	393279	761468	502238	410402	753838	588289	644548	570805	316592	670715	582436	747413	1747768	1971220	2338763	519318	596246	629545	629276	699488	0	465605	681113	525304	449920	426440	521210	668952	769172	491937	703724	489842	637807	750284	702797	727875	797396	562409	734481	4995	734825	745274	479173	710440	745096	908714	423198	803522	431630	661725	584903	4067	511655	625608	Lipid	0.20833333	1.3333334	0.0
10	C17 H36 O10	401.23813	401.2389	-0.21517515	401.23804	6669	6275	6334	6007	0	0	0	0	0	28241	60820	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5168	0	0	0	0	15161	5510	983	2036	0	0	9809	16488	0	0	0	4421	5208	0	340	1716	0	1466	0	129364	0	0	37184	0	8382	1303	2500	0	0	0	0	1404	0	0	0	0	0	0	0	0	0	0	0	961	0	1243	0	0	0	0	0	0	0	0	12497	3302	0	7449	4702	0	0	0	0	0	7628	1166819	0	0	0	0	0	Lipid	0.5882353	2.1176472	0.0
10	C18 H32 O6 N4	401.23947	401.23972	-0.32182837	401.23932	0	0	0	0	0	3790	0	0	948	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20530	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11942	0	0	0	0	0	0	1182	0	0	4019	49131	7222	2773	0	0	0	0	0	0	0	0	0	0	0	0	1176	0	0	0	0	Peptide	0.33333334	1.7777778	0.22222222
2	C18 H32 O6 N4	401.23947	401.24017	-0.09617185	401.2394	2084	2224	3095	2291	427	0	795	617	0	0	1440	533	610	1134	1144	782	563	1497	738	0	0	713	1156	1185	671	0	0	26565	1201	654	1044	718	1741	730	0	846	1412	680	841	0	0	0	0	0	0	0	260	0	1407	514	2424	2950	781	0	499	0	439	1553	0	0	865	0	601	480	0	1423	742	924	0	0	0	1351	1030	519	220	969	0	439	928	335638	566	0	0	0	535	437	1339	702	613	3080	123294	40838	4016	16417	508	0	2887	2897	0	0	281	1031	758	0	0	1112	396	0	1467	1356	Peptide	0.33333334	1.7777778	0.22222222
4	C18 H32 O6 N4	401.23947	401.24005	-0.17889589	401.23938	4390	3512	3508	4527	534	5271	520	461	448	0	0	0	941	0	436	1231	0	867	929	0	0	0	319	691	2915	0	0	17332	0	0	563	0	1277	682	0	0	1008	542	1151	0	0	505	0	0	0	0	0	0	0	0	3647	4806	346	0	0	0	0	1897	0	0	0	0	553	244	0	496	0	0	0	0	0	683	0	924	0	0	0	626	1113	332227	368	0	0	0	659	377	1216	0	0	1017	296121	97654	3047	13775	1649	0	3131	3883	0	0	0	0	0	0	0	972	361	0	529	712	Peptide	0.33333334	1.7777778	0.22222222
8	C18 H32 O6 N4	401.23947	401.24005	-0.005831365	401.23947	0	0	973	868	0	2874	0	1265	0	0	1472	0	0	0	971	0	1038	0	0	0	0	0	0	0	0	0	705	11378	910	0	0	0	0	0	0	985	1026	654	0	0	0	947	0	0	0	0	0	0	1230	1464	2460	871	0	0	0	0	0	1123	0	0	0	0	0	0	0	0	0	1705	0	0	0	791	845	0	0	0	0	0	1083	27705	0	0	0	0	0	0	1772	0	0	4555	95545	20112	1260	4066	1805	0	1185	0	0	0	0	0	0	0	0	1112	0	0	1550	0	Peptide	0.33333334	1.7777778	0.22222222
6	C18 H32 O6 N4	401.23947	401.2399	-0.27901644	401.23935	4101	4305	4126	6167	973	5639	0	932	609	0	2346	503	1353	516	1232	2461	869	1831	0	0	0	932	573	1700	1245	0	926	47294	1070	871	1277	1015	1796	959	708	0	1261	843	2084	0	0	461	0	0	0	0	0	0	0	0	6238	6381	584	0	0	463	653	3188	0	0	1764	0	0	0	504	931	570	1731	0	0	0	1074	1247	807	0	784	0	527	733	160909	0	0	0	0	0	0	2025	574	1010	2005	350901	129749	2563	18720	3283	0	5405	2805	0	542	1257	0	766	0	0	1860	1079	0	796	1175	Peptide	0.33333334	1.7777778	0.22222222
4	C25 H36 O2 S1	401.2509	401.25183	0.15104814	401.25095	0	0	0	0	0	26198	0	0	0	0	0	303	0	0	0	503	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	447	0	1371	0	0	1555	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	634	0	0	372	0	0	0	0	Organosulfur	0.08	1.44	0.0
20	C21 H36 O7	401.2534	401.25363	-0.22254337	401.2533	1796	0	1483	0	0	0	13930	0	0	0	0	0	0	2880	1470	0	0	0	0	0	0	0	0	0	1364	0	9340	0	1820	2029	0	0	0	0	0	0	0	0	2996	0	0	0	0	0	0	0	0	0	1448	0	0	0	0	0	0	0	0	1885	0	0	1710	0	0	0	3225	0	1347	1321	0	0	0	0	0	2242	0	1869	0	0	0	2931	0	0	24592	13873	1262	3713	2791	0	0	1584	3876	2038	0	0	0	0	0	2174	0	0	9727	0	0	0	0	1563	1517	0	0	2125	Lipid	0.33333334	1.7142857	0.0
10	C22 H32 O3 N4	401.25473	401.25497	-0.39458668	401.25455	3337	1621	2320	1995	0	0	0	0	0	0	0	0	0	0	0	1914	0	0	0	0	0	0	1532	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1617	1555	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3402	0	0	313153	0	0	5583	0	0	0	0	1514	0	0	0	0	0	0	0	1530	0	0	0	0	Peptide	0.13636364	1.4545455	0.18181819
16	C20 H36 O6 N2	401.26462	401.26514	-0.37056193	401.26447	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1600	0	0	0	0	0	0	0	0	0	0	0	0	0	1573	0	0	0	0	0	0	0	0	0	0	0	1748	0	0	0	0	0	0	0	0	7914	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12538	0	26415	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2643	0	0	0	0	0	418	3970	0	Lipid	0.3	1.8	0.1
20	C25 H36 O4	401.26865	401.269	-0.26776588	401.26852	17127	13372	14667	15462	12207	5511	30419	18213	8744	2528	11184	15488	3596	10678	10115	30151	68598	6559	16879	0	11850	6413	8792	11326	18278	13506	35464	8412	17603	20314	11624	19257	21739	6550	5385	30448	15515	16924	58233	1534	9719	12093	573	0	0	2517	6008	0	18766	17429	14429	15412	15839	0	11867	17963	15833	25115	7076	15384	13025	2773	5528	13780	15399	9106	10751	59138	10867	10734	12930	3252	9854	23128	53773	23705	0	10608	24042	12186	15591	4506	16159	9212	21561	20614	38501	7290	12238	59691	9306	13928	14196	5646	6876	0	16191	15661	15630	23279	36305	29324	14821	12225	4053	11482	18884	0	24072	8002	Lipid	0.16	1.44	0.0
12	C19 H36 O5 N4	401.27585	401.27597	-0.44140556	401.27567	6302	4012	6468	5834	0	973	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49998	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4092	5362	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	216728	0	0	0	0	0	0	0	0	0	0	633536	288278	0	21920	0	0	0	4208	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2631579	1.8947369	0.21052632
4	C19 H36 O5 N4	401.27585	401.2765	-0.023554334	401.27585	0	0	0	0	0	0	0	0	0	0	0	0	387	0	0	0	0	0	0	0	0	1849	0	1065	0	0	0	0	0	0	0	0	0	0	0	0	0	297	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1333	24864	747	0	0	0	0	0	830	0	0	749	0	0	7711	0	0	0	0	0	0	0	0	0	0	0	0	564	0	0	1037	0	Peptide	0.2631579	1.8947369	0.21052632
6	C19 H36 O5 N4	401.27585	401.2762	-0.21156889	401.27576	7036	6529	5049	6276	0	6909	0	901	0	0	3000	0	0	581	0	1665	0	0	0	0	0	0	0	0	0	0	0	152214	0	0	0	0	1452	0	0	0	1521	0	991	0	0	825	0	0	0	0	0	0	0	0	6019	4954	645	0	0	0	0	923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	563186	0	0	0	0	0	0	0	0	0	0	532984	240210	0	33378	2320	0	6799	6314	0	0	0	0	444	0	0	0	0	0	0	0	Peptide	0.2631579	1.8947369	0.21052632
8	C19 H36 O5 N4	401.27585	401.27628	-0.29945782	401.27573	11851	9629	9435	8037	0	7921	815	0	0	845	7567	0	0	0	0	1126	0	797	0	0	0	0	0	1423	0	0	0	116488	0	0	1074	0	1285	0	0	0	1386	0	1042	0	0	1602	0	0	0	0	0	0	1341	0	10685	10238	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	644269	0	0	0	0	0	0	0	0	0	0	811780	268175	0	49365	5156	0	9775	4929	0	0	0	0	0	0	0	1406	0	0	0	0	Peptide	0.2631579	1.8947369	0.21052632
10	C19 H36 O5 N4	401.27585	401.2763	-0.02248395	401.27585	11917	10827	13717	14349	0	9425	0	0	0	0	6373	0	0	0	0	4277	1177	0	0	0	0	0	0	0	0	0	0	120556	1048	0	2461	1366	2603	1289	0	0	0	0	1747	0	0	2146	0	0	0	0	0	0	0	0	13244	13409	0	0	0	0	0	7632	0	0	0	0	0	0	0	0	0	3150	0	0	0	0	0	0	0	0	0	0	0	997050	0	0	0	0	0	0	0	0	0	0	1061491	337060	0	69717	7036	0	12512	7230	0	0	0	0	799	0	0	1182	0	0	909	0	Peptide	0.2631579	1.8947369	0.21052632
2	C26 H40 O1 S1	401.28726	401.28775	-0.4863507	401.28708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	291	637	0	0	0	0	0	0	0	0	251	0	0	7658	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29683	0	0	0	0	0	0	0	0	0	0	60220	11267	0	2242	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.038461536	1.5384616	0.0
0	C26 H40 O1 S1	401.28726	401.2872	-0.4941802	401.28708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4871	0	0	0	0	777	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	54294	0	0	0	0	0	0	0	0	0	0	21750	1450	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.038461536	1.5384616	0.0
26	C22 H40 O6	401.28976	401.28973	-0.29638383	401.28964	0	0	0	0	0	0	27716	0	0	0	21629	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18288	42450	0	0	0	0	0	0	1339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7447	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11809	0	103790	2740	0	0	0	0	0	0	0	11798	8906	0	2545	0	0	0	0	0	0	0	0	0	0	45927	0	0	0	0	0	Lipid	0.27272728	1.8181819	0.0
24	C22 H40 O6	401.28976	401.28973	-0.23642565	401.28967	0	0	0	0	0	0	31797	0	0	0	0	0	0	5015	0	0	0	0	0	0	0	0	0	0	0	0	23692	4550	0	0	0	1332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1717	0	0	0	0	0	0	0	2783	1154	0	0	0	0	0	0	25637	0	1901	0	0	0	0	0	1181	2402	0	0	0	0	0	9108	0	0	6796	7123	14273	9597	0	0	0	0	7379	1977	0	0	0	0	0	0	1500	0	0	0	0	0	0	0	22853	0	0	0	Lipid	0.27272728	1.8181819	0.0
28	C22 H40 O6	401.28976	401.2899	-0.082315914	401.28973	0	0	1138	0	0	0	2117	0	0	0	5437	0	0	1112	0	0	0	0	0	0	0	0	0	0	0	0	1165	12419	0	0	0	0	0	0	0	0	0	0	839	0	0	0	0	0	0	2035	0	0	0	0	890	0	0	0	0	0	0	0	2252	0	0	0	0	0	0	0	0	0	0	1100	0	0	0	0	0	0	0	0	0	9479	0	24456	0	0	0	0	1008	0	0	819	3887	2703	0	3717	0	0	0	0	0	0	2180	0	0	0	19552	0	0	0	0	0	Lipid	0.27272728	1.8181819	0.0
28	C26 H40 O3	401.30502	401.3054	-0.29108992	401.3049	6489	7092	8421	7455	6748	3200	37745	10298	5894	1611	10970	6939	2241	7545	8636	8533	17006	3976	6733	2272	2024	2463	6880	3760	16011	11185	34421	14028	10780	15880	7212	10964	10593	6062	1603	18368	5621	11453	15569	1873	3809	8107	0	0	0	3317	2764	0	6654	9412	7333	5678	7515	0	8561	10883	5520	10395	5990	5606	11328	3826	2438	4026	7637	6445	13539	17792	7862	2102	3837	3348	6693	14830	8602	10237	0	6203	14803	13898	5878	10290	10927	9099	13511	7148	32846	4133	4813	17808	10495	6207	6389	8855	0	1795	8339	7540	6131	15641	20541	13138	6673	9798	10857	7067	12734	0	13988	2166	Lipid	0.115384616	1.5384616	0.0
24	C26 H40 O3	401.30502	401.30533	-0.28176314	401.3049	4713	6318	5741	5243	3474	1599	27732	6763	1941	0	2336	5308	0	6907	5062	10096	28501	2298	4606	0	0	1312	3404	2866	5304	2169	28279	4041	5462	10829	5788	9554	2545	4195	0	12103	5059	11504	35154	0	3676	4192	0	0	0	0	2954	0	7416	7767	4652	4801	4574	0	2904	5402	4902	6251	1368	5843	9344	0	2985	1500	10229	3644	8603	31423	1169	1666	2134	1678	5416	15355	18940	11190	0	4281	9134	3323	5036	3385	4903	5588	2889	4328	24361	2426	4665	34170	4903	2810	2025	0	0	0	6760	4768	3649	4280	5119	7763	3781	5292	1266	5881	4358	0	9498	0	Lipid	0.115384616	1.5384616	0.0
22	C19 H15 O9 N1	402.08197	402.0824	-0.1619661	402.08188	10953	8971	9241	11468	13704	8708	1715	1659	13567	32956	13054	3437	0	8548	3870	2734	4231	16599	15868	13291	21519	44362	5241	4489	3581	2883	2170	4257	2052	1094	1708	0	4227	1750	36242	0	5422	3769	3685	22859	25894	1678	0	0	606	18100	30566	0	0	0	9602	13115	9611	721	19443	12345	6020	2606	3638	3186	5359	17836	29897	19003	4470	17688	5937	3082	6294	4775	14362	2742	1300	0	1118	0	466	2217	8614	30900	7208	15130	2410	8810	15984	8423	4982	6924	7433	5949	5697	5606	8665	56691	67062	0	16234	9892	7946	13938	14300	4323	2197	7622	15495	5253	11655	0	4678	26738	Phytochemical	0.47368422	0.7894737	0.05263158
24	C19 H15 O9 N1	402.08197	402.08234	-0.16369784	402.08188	6654	7199	5225	8073	9194	3931	1213	0	9344	25290	4995	1521	16210	4237	2450	0	1927	11457	8934	5472	13625	29420	2102	2888	2216	1689	2089	3477	0	0	0	0	3226	0	21386	1572	2234	1730	1978	13198	18543	3051	0	0	0	11271	15643	0	1051	1246	6401	6657	5726	0	14957	8937	5874	2479	2542	1581	0	6513	21542	11822	3216	12423	2725	1581	3675	4120	5318	0	0	0	0	0	0	1283	6337	25018	4176	9148	1951	3237	8818	3620	5835	3900	3635	2946	3083	3458	5382	42307	54051	0	5384	9946	5535	9959	8085	3009	1029	2310	10532	2231	6126	0	2248	19336	Phytochemical	0.47368422	0.7894737	0.05263158
10	C19 H15 O9 N1	402.08197	402.08252	-0.07020306	402.08194	8111	9066	5644	7346	12882	3673	1725	0	21288	27921	20735	2096	20636	3541	1499	2976	0	13416	10587	11743	21682	22041	4862	3170	0	6110	0	6788	1036	0	0	1364	2947	1046	44297	1155	0	1783	1839	15688	23606	5818	0	0	0	5718	15347	0	1935	947	6487	5914	6945	0	15701	15290	3855	3569	0	3908	0	10001	28503	14845	3263	17236	3954	3712	15683	11662	27269	1972	0	0	1602	0	0	1115	6120	12042	5401	7653	1187	3947	17138	4150	6680	3908	3909	7761	0	4037	6823	20527	21157	0	9043	8829	11109	18254	16706	3343	1053	0	0	2682	9630	0	873	23009	Phytochemical	0.47368422	0.7894737	0.05263158
16	C19 H15 O9 N1	402.08197	402.08243	-0.10839855	402.0819	36757	30095	28001	35993	40114	21498	7223	6864	39530	115173	55255	7714	67479	11306	7659	12380	7397	48676	40537	60402	71462	106840	20861	10262	10125	16320	6062	25045	3851	2064	5327	3691	15306	3340	143861	4998	15366	11112	8817	57099	79132	15464	1088	0	0	35407	61426	574	6709	3815	34858	30194	29822	291	40149	37607	15750	12707	12125	11397	7608	45302	74171	40856	14514	46623	15307	10554	45006	38017	63348	5003	2782	1389	5353	4185	0	4721	28032	80382	14773	30694	8647	23599	38942	18854	22514	16951	17037	0	16006	30382	0	123261	123160	0	33571	26810	25384	37616	40417	11242	6094	10423	27556	12752	27975	363	8812	65075	Phytochemical	0.47368422	0.7894737	0.05263158
20	C19 H15 O9 N1	402.08197	402.08237	-0.14839678	402.0819	21750	25037	15623	15368	18105	9351	4203	2130	25833	63711	27981	3038	41289	9554	5292	3434	6026	28036	27253	26944	57590	79691	8031	7207	5179	8770	4022	9361	0	1754	4297	4455	9438	3225	77330	0	7960	5220	5390	31103	47515	7236	1579	0	271	25562	51345	0	6117	2219	16878	20493	15800	446	22055	18027	11509	3652	4338	8936	5728	29181	41700	31796	8633	32368	13400	3712	14402	15012	24706	1994	1105	0	3407	3834	449	2829	16590	62505	6453	22248	4568	16586	26476	13565	12462	11732	11601	10262	11889	12875	13968	83042	83432	0	15802	19753	15640	27920	22729	5753	4517	7692	26257	8457	13150	0	8946	45555	Phytochemical	0.47368422	0.7894737	0.05263158
28	C19 H15 O9 N1	402.08197	402.0823	-0.19485658	402.08188	8151	5876	6517	6760	7925	4698	2711	2172	7821	23667	5400	1433	9424	4226	2823	2452	0	10897	12884	5631	16400	22819	3656	3247	2962	0	2317	4180	0	0	1381	1814	3488	0	22899	0	2800	2155	1130	8906	13753	3574	0	0	0	8584	13049	0	2367	0	7223	7502	5878	0	10790	4163	3532	2610	3142	2525	2573	9658	10167	7507	1732	6804	4444	2372	3204	4728	6184	1188	986	0	0	1514	0	1325	4864	20357	4766	6160	2461	2539	6388	3893	4564	3888	4853	5210	2995	8616	7122	23553	36568	0	6999	6389	5061	4205	4876	2867	2089	2717	5902	4293	3563	0	2656	14820	Phytochemical	0.47368422	0.7894737	0.05263158
18	C19 H15 O9 N1	402.08197	402.0824	-0.13834779	402.0819	31859	24847	26733	25158	30529	18937	6917	4945	34542	82954	43178	7222	66240	9805	4938	6564	9430	40453	38519	40541	65384	96988	13538	10342	7917	10881	8479	24500	3783	2553	4324	3340	17938	0	103841	3668	14149	8228	9475	52962	68176	11623	1793	0	0	43187	63185	754	7696	1934	27732	26690	23128	238	37450	31627	13682	12571	7743	9410	13663	39930	72538	34609	11232	38530	17580	6765	24951	26898	49420	4342	3595	1436	4743	7653	314	5755	21181	72159	12188	35574	7294	24577	40687	19646	18544	15931	18138	18608	19207	26665	23001	108833	121194	0	33082	26885	22134	35691	36682	12876	4451	10674	28017	10504	21382	337	9111	50698	Phytochemical	0.47368422	0.7894737	0.05263158
12	C19 H15 O9 N1	402.08197	402.0825	-0.06146605	402.08194	13007	14730	13912	13970	21909	6549	2371	3421	26578	47821	30423	3008	37759	7620	4138	3172	3768	26259	24070	22990	44544	68213	7774	3964	4224	10264	2474	10463	1945	1228	2273	0	9431	2459	85281	1727	4448	3643	5483	27223	58789	7556	0	0	0	17904	45089	0	2152	3370	18098	17050	12369	0	27977	22341	11140	6752	0	0	0	21317	55093	27973	8194	29582	8314	4871	52822	22296	58720	1245	0	0	0	2693	0	2601	12827	25366	10343	17663	3837	13158	23720	8893	12568	8765	7749	15846	5059	8521	12713	60341	46916	0	15143	11686	16844	28997	26937	5077	2584	5518	0	6490	17075	0	4226	41333	Phytochemical	0.47368422	0.7894737	0.05263158
26	C19 H15 O9 N1	402.08197	402.08234	-0.23699857	402.08185	3906	5725	7499	6051	5679	5573	0	0	9514	22173	3471	0	15081	2210	0	0	0	15708	7011	5951	15238	24771	0	0	0	0	0	0	0	0	0	0	1880	0	21454	0	2260	0	0	9815	12043	0	0	0	0	7003	12801	0	0	0	5115	5342	4896	0	10346	7411	3230	0	0	0	0	8532	15058	10068	0	8562	4194	0	0	4135	4936	0	0	0	0	0	0	0	5520	20628	5083	5700	0	0	6708	0	4356	4116	4071	3137	2629	4406	4668	30073	45383	0	5156	10674	5427	6694	6936	0	0	0	8375	2521	6191	0	3632	16302	Phytochemical	0.47368422	0.7894737	0.05263158
14	C19 H15 O9 N1	402.08197	402.0825	-0.09114015	402.0819	33549	25280	29225	30609	36270	12729	9995	6614	40503	91882	51885	7647	62083	12972	8644	5960	6564	30762	31629	45992	69973	81722	14507	9141	5386	25160	5976	20871	3818	2314	2338	0	10629	5798	132799	0	10992	6239	10494	50437	86088	10765	0	0	0	33886	51074	0	5989	3693	28178	24781	22367	0	40545	33933	14169	12310	6349	11790	0	38914	70008	34334	11084	40595	15329	10522	46300	35410	64916	3785	1364	1189	2287	2846	0	5173	19188	76407	14334	30168	5458	22396	35126	16373	20716	8847	16301	16787	13381	22331	20687	98593	99021	0	23270	24536	23944	39224	40334	5296	5940	8396	24661	9140	25219	0	7107	48700	Phytochemical	0.47368422	0.7894737	0.05263158
16	C16 H19 O9 N1 S1	402.08533	402.0858	-0.16278349	402.08527	4782	7264	6409	6917	7848	6093	1676	3105	7574	18388	8816	2764	14911	3182	2131	2228	3211	11391	5772	16843	7813	22921	2469	5124	2323	2784	2418	6515	3779	1999	3651	0	7287	2597	15587	1975	4522	1702	2097	12536	9188	5097	0	0	0	6648	6132	0	3202	1792	8724	4506	5321	0	13813	4186	2801	5631	5515	5916	0	15508	9606	6944	2382	10411	7767	3222	10961	6380	5678	2334	1836	3834	1735	2679	0	1406	3525	14533	1469	3480	2276	6172	7497	2104	4541	3223	4459	0	12754	16460	0	15726	18513	0	4747	5498	4005	3640	6616	2017	2951	5480	7141	0	8202	0	3050	13444	Organosulfur	0.5625	1.1875	0.0625
14	C16 H19 O9 N1 S1	402.08533	402.08585	-0.09737792	402.0853	9919	8170	7050	8567	6328	4549	0	3349	7747	27789	14905	2063	13847	3018	2292	4396	5742	12980	12601	11922	15173	24990	3804	4840	1998	4659	0	12637	2373	2418	2586	0	4892	2688	34882	0	3500	1470	3308	19289	16505	4817	0	0	0	5532	10135	0	3269	1130	6998	7934	5664	0	13771	4439	4649	3430	10581	0	0	23101	5938	6348	2111	9518	5247	2445	0	9508	8829	2613	1446	1298	2051	1263	0	1571	2627	20838	2362	5673	4962	8522	5524	3788	5147	3257	5227	7093	15612	13941	5619	19080	30190	0	6989	7982	5379	6363	3439	3188	3507	7828	0	3356	5596	0	1248	12679	Organosulfur	0.5625	1.1875	0.0625
12	C16 H19 O9 N1 S1	402.08533	402.0859	0.00616528	402.08533	4235	6774	5913	5322	4504	3833	0	2904	7309	17691	9133	1427	9693	2460	2135	2698	3423	8205	5555	13158	14194	24020	3667	0	0	3985	0	8631	2861	0	1022	1534	3376	1760	26594	1763	2291	1644	4260	19910	19473	3517	349	0	0	7353	10222	0	2541	1402	3654	6217	4290	0	6297	5802	2907	2894	4930	0	0	8970	7569	7943	1700	7786	4550	0	0	4607	7961	1254	1306	0	1633	0	0	1142	2266	0	2610	3138	2304	4854	5728	2769	2672	2244	2296	0	7462	18513	4133	28082	18089	0	7293	6949	4093	5578	3727	4391	0	5836	0	2284	4928	0	1841	12192	Organosulfur	0.5625	1.1875	0.0625
6	C18 H15 O8 N3	402.0932	402.094	0.08521332	402.09323	10631	10755	10856	13447	20062	7587	1956	5890	20990	9642	11996	5173	41422	4552	4630	10072	6910	26426	23937	8191	19174	16491	11508	9910	2115	0	3756	0	3141	3628	5585	4468	10419	3855	15433	4438	8935	5636	8434	6812	14824	13009	0	0	0	4577	10684	0	5950	8157	12377	11532	13710	0	29713	31120	10177	6077	3611	10361	10003	6314	41878	27509	10289	26244	13573	10118	1748	1923	10011	5053	6484	2901	4478	3222	0	3008	6036	7316	6149	5341	2906	0	35966	9730	5021	15941	12183	12739	3308	4300	13249	16371	12239	0	12611	11117	15493	29484	38062	12079	5215	5217	0	12203	19940	0	3159	47724	Unclassified	0.44444445	0.8333333	0.16666667
10	C16 H19 O11 N1	402.1031	402.10364	-0.09972917	402.10306	48110	42435	40265	40932	74641	43270	12417	31421	96511	50449	60561	31788	170902	26769	28025	33805	44035	122772	123680	49498	101941	68079	48157	30624	5706	3337	13488	9784	20403	19627	20061	19922	44003	20601	60248	23669	38741	21744	34450	33501	61546	62974	2136	0	285	27018	60102	0	22082	28872	46222	47525	55235	0	150836	116152	39171	21455	25407	43552	35038	43375	151450	134111	46035	89326	48498	37249	32063	8401	24277	19971	19932	21273	33162	17708	0	23197	22583	42494	25421	18118	8005	6171	115386	39902	24816	51933	46754	33255	6076	19898	43889	75312	55573	0	45908	57475	82687	93559	109244	43773	26525	26558	26099	31351	83060	0	7618	150243	Phytochemical	0.6875	1.1875	0.0625
6	C16 H19 O11 N1	402.1031	402.10373	-0.10801777	402.10306	9013	9702	9193	11092	17491	6901	1956	4915	17695	6601	9742	5173	36460	4552	3971	9161	6910	23013	21177	8191	15280	11240	9850	8444	1486	0	3092	0	3141	3628	4795	4468	8351	3855	9293	3681	8124	5124	8434	5451	9105	11766	0	0	0	4577	8855	0	4893	6757	10627	8932	12652	0	26009	29169	9409	5208	3611	7946	8324	4383	35430	25146	8631	22888	12727	10118	0	0	5275	5053	5798	2901	4478	3222	0	3008	5280	7316	5329	3197	2050	0	32135	8580	5021	13855	10663	9210	3308	2441	10220	11553	10033	0	10601	9892	14579	25926	35490	10035	5215	5217	0	9910	18632	0	2061	39749	Phytochemical	0.6875	1.1875	0.0625
16	C16 H19 O11 N1	402.1031	402.1036	-0.11759649	402.10303	21912	22383	22284	22750	47317	38561	8115	17766	59680	14608	24060	24942	95000	20800	23877	10088	21346	87460	65642	15933	54032	15331	33552	16588	2797	1905	8680	3621	12180	11967	12241	8819	15431	10253	14625	11311	13573	16451	12394	13403	30876	33578	2018	0	764	17058	46027	878	11703	15314	25673	19833	36737	255	79523	67981	25311	6825	15612	19866	12849	30514	82049	71911	24420	47918	35865	12424	34498	4531	23009	12796	13404	11997	16411	13104	466	15558	18393	26461	11069	17551	4231	3615	76677	29618	13588	35186	26613	0	0	12230	0	27420	18863	0	22821	36548	46708	45937	52329	20432	18944	11197	29254	13525	56098	778	4777	91856	Phytochemical	0.6875	1.1875	0.0625
18	C16 H19 O11 N1	402.1031	402.1036	-0.047531947	402.10306	13171	10437	14037	10396	27264	19194	2033	8758	28122	6300	12890	12710	53578	11831	13608	7663	8552	47705	35005	10018	19624	7219	19276	8542	2593	2159	3010	0	5015	6117	7046	4247	7969	0	7776	8837	8814	8129	7773	7373	18803	15967	2045	0	1030	10138	29843	773	3664	4147	13070	14829	21780	0	45564	32547	15618	3996	4572	9906	6463	14828	46167	33946	16039	17443	15888	4724	16631	0	6905	7388	3619	7358	6788	4802	404	10722	5068	8095	8271	10290	1856	0	41642	16739	6355	12812	12723	3772	3644	4276	5905	11788	0	677	9532	16336	30164	21082	24606	12392	8895	3288	14898	8244	31254	0	3356	41611	Phytochemical	0.6875	1.1875	0.0625
26	C20 H19 O8 N1	402.11835	402.11865	-0.2782555	402.11823	5437	3271	4326	3892	3219	4120	0	0	6561	20668	7354	0	4659	0	0	0	0	8785	5182	8010	10701	12079	0	0	0	0	0	5858	0	0	0	0	1642	0	14364	0	2171	0	0	9599	12584	0	0	0	0	5866	10881	0	1985	0	4242	3539	3546	0	5499	0	0	1692	2306	0	0	8456	7696	5150	0	6183	3144	2196	8455	10245	13216	0	0	0	0	0	0	0	3344	12109	4275	6805	2675	3578	0	0	3022	3328	0	2969	2075	2874	0	13926	19921	0	5167	0	2549	2167	0	0	0	0	0	1983	0	0	0	10680	Phytochemical	0.4	0.95	0.05
22	C20 H19 O8 N1	402.11835	402.11874	-0.20086648	402.11826	21299	19166	16699	21477	20131	15093	4209	6526	19224	84810	37807	3920	19683	9728	5402	4955	5850	25813	22872	34674	54945	48272	12164	8195	9006	28637	2499	23546	5933	3073	3409	3812	10078	4623	73594	2548	9202	6719	5155	44615	50677	10761	0	0	357	36591	44582	0	5801	6869	21420	18164	14704	423	19821	14856	8580	7241	8045	3599	7867	36326	28616	18101	7553	19922	14811	5452	39028	41575	53312	7559	4006	1412	2662	3863	478	6414	14460	46175	10650	26856	7987	28495	21356	12076	9886	8762	9576	10959	11838	18817	14070	53817	66076	0	19702	17511	14598	15288	14290	10614	3887	9639	26929	8311	13815	0	9346	34889	Phytochemical	0.4	0.95	0.05
10	C20 H19 O8 N1	402.11835	402.11887	-0.13619314	402.1183	42001	34687	34314	35098	28856	20966	10120	15028	37414	140672	79273	13722	59819	19990	13896	29169	13092	39642	41401	98040	120944	86903	16348	19326	8233	76543	7685	50880	13686	11901	11641	12267	24273	12444	168387	11901	25497	15051	21309	80776	94594	12537	884	0	0	40487	84062	0	16691	14440	41887	35119	21676	0	43453	30642	15512	21360	13570	15564	24580	50170	63026	40084	12194	40431	17765	22035	106199	128902	159028	13162	9663	9805	9705	11136	0	8704	30729	44211	20375	39491	14698	36364	33546	16981	19681	15178	15741	38261	22129	34064	31403	72009	86431	0	42737	36979	31004	35589	30746	17393	10985	22998	32218	18372	26205	0	14926	54375	Phytochemical	0.4	0.95	0.05
16	C20 H19 O8 N1	402.11835	402.1188	-0.13855113	402.1183	94130	87539	83541	85850	68860	48341	20809	29741	74301	328655	171129	23589	111462	41659	28725	41805	36631	85399	100722	216453	246382	190778	44271	56894	35676	191125	21950	111169	24318	23756	27254	30772	49275	24813	409264	22863	48147	27832	34333	191150	191719	36842	1710	0	345	118308	141335	621	39085	24712	79682	89534	50631	470	86738	68498	37186	38761	39537	34472	55392	130403	119043	73586	28382	88757	56129	32348	191460	299470	292447	31313	23986	16781	26214	26632	289	22637	57791	150176	33452	87889	34858	131571	70971	46000	56063	39886	39178	74540	76161	97242	100502	172624	244673	770	83644	91497	52374	65765	63361	44524	20179	46420	84866	39255	51622	450	38117	112250	Phytochemical	0.4	0.95	0.05
24	C20 H19 O8 N1	402.11835	402.11874	-0.18095328	402.11826	11339	8545	8374	7163	7998	5143	1219	1567	8211	33995	12418	3027	8707	4164	5946	5972	4243	7730	7516	12427	23206	24125	5295	5354	5433	7699	0	9461	1448	1835	1092	1953	1852	1891	31215	2081	5697	1246	2439	18385	23177	3118	0	0	0	14833	21553	0	3404	1407	9549	5304	4508	0	9351	6087	3756	3051	4295	3011	3888	13013	11199	9127	4224	6409	3745	3725	13522	15730	21376	2116	1738	0	3441	0	0	2368	7979	17275	4343	12546	2395	8622	7460	3518	4955	4131	3338	3880	5445	7584	5019	29723	40066	0	6054	8862	6297	7957	3178	3660	2230	4037	12993	4780	6957	0	3761	10349	Phytochemical	0.4	0.95	0.05
8	C20 H19 O8 N1	402.11835	402.11893	-0.13462791	402.1183	24017	23843	19466	24524	20579	11050	5624	10661	24513	88311	50316	6811	37490	9546	7487	11613	8193	20193	23730	52022	87325	49847	12156	11263	4873	30772	5959	26289	3263	5331	7767	7182	10468	5666	112577	5468	11363	8140	8390	38036	61166	8487	0	0	0	32678	61352	0	10169	7936	21412	21794	12616	0	25093	22149	8606	12649	7030	13603	8279	31519	34489	27337	5685	25221	10262	11576	71528	56000	101251	7054	5039	4800	6851	5794	0	4880	15811	27763	10875	20772	7029	25894	22893	8786	14779	9785	10341	20201	0	17907	17109	48396	54694	0	24163	19957	20791	28453	19275	10534	5438	13523	15147	11224	17662	0	7206	27594	Phytochemical	0.4	0.95	0.05
20	C20 H19 O8 N1	402.11835	402.11874	-0.1849139	402.11826	45933	42861	44648	40208	39190	25223	15335	16734	49027	182505	89767	12394	72256	28927	16248	21242	18161	51286	54415	94672	123335	111887	24942	26733	14474	80192	11675	58563	15003	11022	13380	14496	27738	17207	175306	8291	31958	11196	15208	112753	103928	16893	2887	0	360	85074	96051	0	14786	10465	46383	39280	32640	495	39889	31911	23849	25469	19327	16387	23026	69490	64912	43677	17339	52877	26968	17688	85648	114026	138687	10684	11022	6305	9344	7675	531	11317	31736	89936	20487	59050	17563	71073	49547	27006	30743	24683	21040	26076	39882	47582	34075	106594	140318	626	43071	46983	29197	31160	37994	26721	14642	29395	63090	24603	33767	739	18452	72589	Phytochemical	0.4	0.95	0.05
12	C20 H19 O8 N1	402.11835	402.11887	-0.14931914	402.1183	52206	53013	50602	53528	51828	30469	25229	27531	55686	175654	104879	16802	74241	25217	21359	25479	29764	67537	62491	129239	162278	119495	22486	33780	17782	112499	18324	65627	23746	18490	23817	18462	33250	15623	261764	16981	29062	20334	25947	117806	152457	24179	628	0	0	78108	136986	0	23461	23560	49683	42255	35517	0	63431	42202	20434	33652	34032	36556	31700	99765	86488	58495	18259	54853	30078	32779	162065	209005	252569	17680	18311	12725	17115	14874	0	17082	37418	71825	30268	58619	19932	63338	42686	22562	41315	21366	25478	49976	34279	56801	41500	120786	105801	0	50570	59573	45666	49246	39028	31994	16122	32113	49937	26819	35257	0	24957	76922	Phytochemical	0.4	0.95	0.05
14	C20 H19 O8 N1	402.11835	402.11884	-0.13966118	402.1183	77154	83766	72249	71621	70213	45358	25178	30647	68659	277604	145270	23813	104905	40662	28721	43333	27134	71490	78984	178049	217433	175636	37353	46209	31822	174948	28065	115552	29635	23921	25215	29102	41264	21601	362942	20034	39583	25663	31091	155631	173218	33656	0	0	0	110245	140458	501	34439	23389	77980	72725	44655	234	79908	58029	31774	55690	31375	46505	36830	125289	118228	68152	29897	68458	43704	33730	218185	259604	262524	30424	20187	18746	23528	22023	0	23467	54628	112896	38765	81060	33914	87318	66863	37655	51073	39930	33987	67909	61096	76336	71347	156019	190130	0	72644	72241	54958	67184	58823	40612	20371	44774	95388	38787	45475	0	31833	91212	Phytochemical	0.4	0.95	0.05
6	C20 H19 O8 N1	402.11835	402.11896	-0.14187013	402.1183	8568	10229	9282	10679	8734	5055	2682	2415	12863	33210	23923	3014	18972	5025	4080	4729	2756	11135	12231	23243	30150	21867	6388	6399	1941	10850	3632	13824	2497	4157	2216	4570	3822	2763	44728	2706	4518	4609	5069	12917	28948	3037	0	0	0	10448	26027	0	3753	2805	9255	9296	5707	0	13019	11168	3255	4096	2870	6794	4652	13147	19989	10416	4448	12708	4634	4341	22709	23744	44921	3387	3918	1697	0	2793	0	3843	6746	10458	6298	7975	2780	6658	9648	3105	6741	4633	4020	8530	3712	6742	7218	21084	21969	0	9815	8873	8726	13027	12264	4110	3084	4303	10287	5438	8114	0	3344	15835	Phytochemical	0.4	0.95	0.05
18	C20 H19 O8 N1	402.11835	402.11877	-0.13310431	402.1183	77164	68731	75233	74992	57827	49805	21655	26146	66259	278876	166851	17494	97043	38125	29478	37166	21477	80546	100537	171985	174959	173881	35533	40003	30407	152160	18374	103225	22320	22975	18684	21747	41730	19342	317201	20332	37525	22198	21213	174658	154913	29639	2200	0	0	113051	127958	555	26326	19251	66059	73431	48606	395	80915	59627	32051	34971	33661	26625	35717	113649	105143	63582	27032	81340	40598	25485	150938	218529	224681	25073	16188	11672	19285	20499	0	18311	43846	131624	35416	89040	26068	103034	72514	44879	48729	39315	42956	50070	67416	90003	68176	144716	232661	565	73012	70034	48953	56331	57745	40828	17636	44662	62641	38459	41458	483	27110	100435	Phytochemical	0.4	0.95	0.05
18	C17 H23 O8 N1 S1	402.1217	402.1222	-0.0900787	402.12167	12516	9016	10860	8966	8894	8700	4188	8693	6464	26698	14700	5248	10674	5742	6932	6934	4261	16804	12527	22614	22196	25134	6751	10650	5674	16732	3551	10665	7280	7474	7912	5902	8955	5084	22613	5925	12035	5691	4744	22887	13696	6779	0	0	0	16522	9046	0	6065	2157	9702	7744	5966	0	8508	4942	4673	6656	15254	7046	6202	21780	5214	3464	5318	9441	8305	8326	17577	14849	16195	5454	2979	4141	3334	0	0	4636	7291	15694	4888	8716	7160	15229	7045	4704	8676	6591	8124	5930	25203	24178	14205	16596	24049	0	7199	10229	5646	5180	6130	7639	2622	14748	7977	8868	6304	0	8518	10496	Organosulfur	0.47058824	1.3529412	0.05882353
18	C9 H24 O9 N5 S1 Na1	402.12653	402.12674	-0.3551572	402.12637	34197	41640	37870	38594	39882	26655	11391	16109	39817	131243	66779	11762	57616	19287	16943	15583	7556	45067	48660	82779	89536	52269	21343	23847	18344	105258	15570	46178	17021	13506	13167	13632	21141	16744	126101	7870	26584	11712	14108	54416	48711	18404	823	0	0	42069	43481	0	14585	14147	43640	36667	20485	0	45258	32331	15869	19480	12913	14103	15733	45565	55442	31528	18078	41874	22042	16522	82757	129453	123706	15721	13056	13011	10896	16819	0	12368	34622	35274	23529	41958	17050	39576	46449	27874	23355	18251	26951	16196	21864	32457	19242	41854	70099	0	35050	37285	35451	39266	25553	22499	10868	18773	29739	19413	28333	0	17530	50123	Organosulfur	1.0	2.6666667	0.5555556
24	C19 H19 O7 N3	402.12958	402.13	0.003762335	402.12958	0	0	0	0	0	0	0	0	0	0	1566	0	0	26198	0	0	0	0	0	0	0	0	0	1600	0	0	0	0	0	0	1188	0	0	0	0	0	1502	0	1659	1401	0	0	0	0	0	1574	1449	0	0	0	0	0	0	0	0	0	0	1054	0	0	0	1860	0	0	7649	0	1208	0	1302	0	1242	836	1321	0	0	0	0	0	0	0	987	0	0	0	0	0	0	0	0	0	0	1714	0	0	1437	0	0	1298	1036	0	0	0	0	0	0	2879	0	0	1484	0	Peptide	0.36842105	1.0	0.15789473
12	C17 H23 O10 N1	402.13947	402.14	-0.12549983	402.13943	289020	265680	281475	266180	321085	254463	223769	397537	481252	496396	355840	232256	596468	129336	320191	244154	314219	722949	688818	708508	887661	431838	420777	308104	153252	252070	121400	252983	349856	256949	260543	215021	363255	234327	821294	290865	266280	253449	239258	418912	401106	323732	12626	1511	922	424564	464685	1095	236705	309955	283492	255718	325746	1814	913471	421632	212300	238533	367244	311801	328911	464421	649955	539736	169125	399401	273968	224841	628328	351400	488194	247424	272054	306814	202320	205182	629	270721	261927	278128	237427	262917	174868	180220	469069	268333	206553	201191	262780	231093	134708	266276	362483	326988	286846	3384	298478	442523	394506	248915	317255	366226	229795	299901	405771	243625	417448	1249	151685	618433	Lipid	0.5882353	1.3529412	0.05882353
28	C17 H23 O10 N1	402.13947	402.13986	-0.22121954	402.13937	13006	9662	11366	8406	7733	8006	3229	9127	9677	20241	7652	6696	10139	3793	8070	8200	8577	16444	10181	26444	31088	7230	9112	9924	3801	10030	3894	5839	8534	6958	8485	7619	9511	8677	19263	9401	8193	5391	6849	10804	10992	5915	1265	0	0	8863	13200	0	8280	8559	10112	10107	9503	0	10698	6491	5011	7362	7089	7324	9511	9684	9474	8739	4648	8022	6084	6371	20847	20265	28347	10194	7010	9808	8406	5211	0	6868	3656	2820	7243	6580	4266	9631	8508	5870	5310	5439	5559	5973	3794	6530	10226	3959	7043	1497	8532	11100	8992	4055	5030	8206	5801	8576	7910	7459	5435	0	4859	12194	Lipid	0.5882353	1.3529412	0.05882353
16	C17 H23 O10 N1	402.13947	402.13995	-0.13291252	402.1394	267357	261942	271361	263796	280148	248951	128895	287295	351786	342012	228121	197276	527572	137435	271719	268399	214306	561854	506021	525563	586651	258516	320586	297174	138204	216774	120931	132715	268063	251461	223884	207029	250958	194581	433249	277372	253987	186066	165968	325427	281492	246259	12341	2259	1875	332780	396633	2107	225066	287179	274039	251267	258316	2399	606944	303231	165352	196632	229986	180660	283741	313851	405304	395740	139210	275908	215548	155734	492557	349985	433797	255625	229295	275813	206420	196980	1871	185697	192269	217281	189520	233809	132217	154482	414191	210950	172439	174446	192393	141563	114867	219695	307621	206719	262148	3683	259269	339667	267726	194598	256500	301141	166513	266662	249727	240057	318252	2722	119337	467957	Lipid	0.5882353	1.3529412	0.05882353
26	C17 H23 O10 N1	402.13947	402.13983	-0.23672312	402.13937	7239	4511	4998	5087	5584	4577	0	7404	5848	12773	4830	5240	7847	2694	0	5432	6800	9961	5598	20462	22312	2311	6797	5203	0	0	0	2335	5432	0	4617	0	3526	4233	8349	5607	4762	2645	4544	7069	7093	0	0	0	0	6903	9708	0	6394	6831	6349	7029	5587	0	5580	0	2937	3901	3582	8163	0	7117	6410	6270	0	3632	2503	4005	10551	11755	19481	7383	5239	8708	8506	4183	0	4951	3406	0	4790	3655	3160	4692	5464	0	2659	3052	4570	2935	0	2680	6004	0	0	0	6697	7273	4263	2903	0	0	5297	5384	0	3307	0	0	0	10960	Lipid	0.5882353	1.3529412	0.05882353
14	C17 H23 O10 N1	402.13947	402.13998	-0.13610661	402.1394	343138	320078	323001	328330	371010	332214	182119	407575	556026	481200	343683	228313	787737	190302	350996	348712	324290	802586	703294	762190	980575	423670	418036	369250	193272	294303	147624	244676	376503	355861	246568	261058	394312	244533	739919	359841	314665	279097	243082	439878	377139	349460	17083	2090	1389	422905	501701	1888	243007	381118	313757	276405	352880	2253	1095449	474825	202399	261663	436055	265932	400057	516623	657323	655565	211201	406153	315770	204328	708893	435252	499317	255679	260269	358407	260467	234111	1024	273129	266151	349734	266244	306038	169991	177351	527840	296556	207380	233183	283441	178584	165618	260656	398594	285360	406919	3455	312966	481382	391213	303329	370236	421454	229233	407283	440023	246038	447609	1359	141961	652496	Lipid	0.5882353	1.3529412	0.05882353
10	C17 H23 O10 N1	402.13947	402.13998	-0.1615099	402.1394	233421	214727	192972	194553	196226	141202	112252	241494	275286	354568	233212	163190	383765	91825	190399	230599	189764	428901	380809	424933	516715	261025	233465	241968	92171	141441	105106	115813	202332	207206	160213	175421	235999	164416	437851	208831	221658	151143	159107	251239	280872	196055	8601	861	764	233760	280209	774	170338	219986	215930	220666	175174	1450	477952	251639	114420	186190	223974	190773	260703	211758	320240	311161	121096	234637	156024	169766	347380	182756	257554	182130	189684	195621	160708	160118	0	142557	163988	158606	149858	138025	106880	100330	306315	175679	135565	148675	156655	141797	93156	161935	256489	196891	263265	1857	219522	286271	212542	177977	228406	265390	145510	271991	226731	171297	240603	801	93049	368049	Lipid	0.5882353	1.3529412	0.05882353
12	C16 H23 O9 N3	402.1507	402.15118	-0.019017166	402.1507	0	8445	16266	11799	4999	9561	8808	20634	8955	0	0	10113	10731	3909	22695	14973	14106	15822	15036	0	0	0	16449	14199	7293	0	4575	0	27936	12921	22722	15066	28701	15264	0	17262	14850	24534	14043	2675	0	8073	0	0	0	11130	0	0	17283	16011	14412	0	6906	0	12822	3075	6498	16395	0	0	0	0	9381	8457	1285	10467	8706	0	0	0	0	11190	12987	12141	9524	15549	0	13818	13083	0	10392	5886	2335	5241	0	6085	10998	9936	11154	37101	0	13719	29238	0	0	0	13383	0	0	4185	0	12330	13947	10680	0	22566	3561	0	13833	12099	Peptide	0.5625	1.4375	0.1875
6	C16 H23 O9 N3	402.1507	402.1513	-0.12844266	402.15067	20412	29182	18146	18070	16582	14154	12140	30190	24506	11426	8860	18416	32698	9188	19386	25258	27164	23328	36970	8444	13232	26026	27050	27904	12364	0	8946	0	20374	16442	23788	27326	36534	19862	17280	16320	29846	19438	28156	8310	9610	21750	0	0	0	8464	13978	0	22838	18986	25130	21420	20416	0	30908	14644	13040	23998	11242	14204	30000	4254	34704	24846	16930	26018	25880	39116	0	0	0	16016	18352	21434	8458	14276	0	13026	16642	7438	12104	6544	5994	0	12212	15610	18646	23888	18770	39248	19094	28570	50062	8788	8530	0	23494	25404	7508	13010	10984	33678	18124	20012	0	32932	12762	0	8956	41430	Peptide	0.5625	1.4375	0.1875
8	C16 H23 O9 N3	402.1507	402.15125	-0.15675856	402.15063	53101	60212	49342	63904	29073	36112	25296	52067	46447	135290	71283	43837	58263	26343	40456	64649	39937	49848	60050	124153	151963	100339	44094	57189	26593	89529	26410	71429	32128	35786	36984	40658	57318	35796	161201	42850	54719	36270	44968	96839	94675	36256	0	0	0	58599	75089	0	49364	35250	55454	58708	30342	0	59694	27139	28852	55504	27223	35136	52969	61918	62906	51747	34720	50714	34844	61738	104225	153980	173593	41969	41691	33431	32531	33736	0	30189	38881	46418	29718	30493	21671	51217	35432	23860	39210	40113	31771	77835	27014	64527	100273	53605	87482	0	60273	61310	34243	31674	33225	52173	34558	46153	27188	50718	27883	0	29172	69056	Peptide	0.5625	1.4375	0.1875
26	C21 H23 O7 N1	402.15472	402.15503	-0.254997	402.15463	3926	6703	5408	5406	5388	2520	0	0	3635	16762	7093	3803	4455	2099	0	7691	0	0	6306	6698	13173	13991	0	0	0	10435	0	4416	0	0	0	0	4889	3147	13893	0	3231	0	3334	9833	13873	0	0	0	0	8000	10976	0	3840	0	5766	4602	4183	0	0	0	0	5805	0	3072	5590	7156	6463	4713	0	6625	4315	5224	11700	16841	23547	3118	4010	0	0	0	0	0	5168	7361	5684	4779	3143	6458	0	0	6759	2606	3419	10469	3672	4057	13036	12149	14601	0	5657	6692	3934	3128	0	0	2679	5635	0	7535	0	0	4354	5611	Phytochemical	0.33333334	1.0952381	0.04761905
12	C21 H23 O7 N1	402.15472	402.15524	-0.19918253	402.15466	63670	72583	72768	63419	45436	32273	38172	54158	45184	176203	99020	26371	45583	29730	30494	44698	46319	57170	66380	187825	225519	112415	40474	52052	32207	178111	34071	111002	40983	36427	40666	36901	53457	35684	226236	36772	46478	30884	54598	142471	165503	31576	0	317	0	84883	101156	0	50990	42717	63623	66434	32806	302	55319	33722	22461	49928	31392	52064	42529	91594	62246	38000	18622	51728	29556	54454	185905	259164	301215	35134	35459	36422	36844	35747	0	34867	47202	76157	41900	55627	41385	87962	38052	24702	46301	29939	35356	97492	61973	72381	77931	79931	102338	0	74145	74794	42555	36470	38199	49661	29509	61787	61290	49390	33506	0	38182	61849	Phytochemical	0.33333334	1.0952381	0.04761905
20	C21 H23 O7 N1	402.15472	402.15515	-0.16913266	402.15466	87205	86967	81810	74998	61331	53170	23090	46929	55529	243994	158266	25692	88054	47680	45984	62194	38634	84057	92924	223740	246088	137154	48908	66286	40214	237210	25552	143500	45809	35373	40971	38289	57525	45879	258983	36199	61360	34160	38939	182168	175550	42743	2748	0	395	112151	131794	661	55523	37327	81163	82868	55896	694	63387	54986	36099	53465	46190	40208	53680	120282	84618	60137	34396	68320	53252	46637	218769	310063	298138	44272	42228	28904	35811	36198	475	37041	50584	101969	44324	73303	42900	131157	65274	38138	52311	51549	45743	60260	97456	93944	93040	113539	152064	713	80933	83526	49973	55857	54507	50341	27256	63634	66379	68595	49437	0	40766	88087	Phytochemical	0.33333334	1.0952381	0.04761905
22	C21 H23 O7 N1	402.15472	402.15512	-0.19411044	402.15466	40490	38784	36549	38868	34639	26985	13318	23493	32170	111051	82029	15898	30943	29224	12608	29221	17800	44163	37923	80062	106674	59722	24894	36932	16296	109660	9065	74708	20915	16455	16137	16494	20427	27045	113513	18050	29048	17225	16852	89044	77167	16823	0	0	554	55426	63617	0	19579	16096	38574	39046	24954	591	38368	25743	18975	25692	17882	17545	28460	60781	48269	30044	19522	43070	24691	15909	96185	122595	148103	17400	16728	9415	14297	12723	0	14378	21789	50134	22048	33824	21398	58209	39801	20114	28006	23753	26427	25378	43635	43662	41770	52790	83847	0	42183	38166	21458	28279	22013	28846	13574	27772	38046	27416	27189	0	19650	41773	Phytochemical	0.33333334	1.0952381	0.04761905
4	C21 H23 O7 N1	402.15472	402.15543	-0.13773517	402.15466	6870	6519	8178	7880	4456	4780	3052	4822	5825	15679	9650	3419	8489	3650	3864	5301	5467	6793	6719	16068	23750	10149	4597	5878	2272	19116	2270	7205	4416	3017	2497	4048	5215	3136	21511	3817	4528	3635	7452	13054	13988	2882	0	0	0	12011	16227	0	4926	3757	6071	6733	4079	0	8100	4390	2919	4399	2746	5268	5262	10031	7270	5586	2124	5201	3880	6790	24042	23380	29200	4395	4239	3479	1994	3123	0	2783	5304	6157	3940	6903	3014	7406	5786	3566	5176	2907	3365	5635	5025	5378	6348	9275	13946	0	6346	9187	5465	6311	4925	5362	3063	8330	7599	5014	3797	0	3535	5814	Phytochemical	0.33333334	1.0952381	0.04761905
18	C21 H23 O7 N1	402.15472	402.15515	-0.15637097	402.15466	129505	134444	113709	107390	83632	71775	55036	78677	77542	330677	207567	43095	115022	58484	61140	95816	60114	103987	135914	301863	318111	186121	66460	110260	63518	288065	41937	175366	76607	60636	63366	65445	92909	70513	346085	62463	92417	50133	64094	270309	229765	67529	3678	364	386	147470	151502	0	81396	57757	117031	117589	67310	589	92876	59644	50426	88773	69490	71402	90817	170065	116252	75821	36604	95869	77917	72039	281526	392153	436392	68881	50853	53557	49885	58415	279	45817	75006	129102	57688	106856	65429	147049	82892	62806	74120	69800	61903	93166	122453	136196	138442	139477	207604	762	128188	112137	62092	65952	67703	87001	44276	92913	84142	72022	59161	367	65084	101558	Phytochemical	0.33333334	1.0952381	0.04761905
16	C21 H23 O7 N1	402.15472	402.15518	-0.17296037	402.15466	121705	129610	116093	125641	78035	62993	55114	74073	76468	313568	166483	45710	99660	57564	53049	92958	67328	98913	115534	283653	308956	184834	68507	109220	59952	296979	47859	154191	63232	64373	61373	75927	90227	61512	341256	70670	87739	45765	72896	241294	239021	57653	2476	0	352	141758	145769	694	76862	70157	110591	122364	73652	471	80261	67934	43461	83745	65762	69886	89170	146552	102230	67728	41408	99059	70938	67992	271026	445502	443896	79167	67764	64178	58612	65873	0	42941	83053	137119	56518	99041	70998	171232	80816	49270	88449	67670	54499	145319	103782	124682	182620	144787	210080	625	120627	127776	59083	61923	60142	85333	45131	93040	81403	84591	58958	0	71743	104263	Phytochemical	0.33333334	1.0952381	0.04761905
24	C21 H23 O7 N1	402.15472	402.1551	-0.18839872	402.15466	12353	15997	15460	13206	13409	7143	3264	6094	11761	36295	26300	5155	15656	7482	6955	6804	3236	15866	17524	22603	32338	24583	8303	11820	6227	30729	2812	20806	5508	4478	6047	8070	8511	7469	35635	5769	8223	3188	5127	32990	34339	6394	0	0	0	20419	26923	0	7446	6705	15259	14690	11902	0	11170	9505	4941	5817	6058	5124	12388	19805	13030	9806	4423	18533	7865	5993	41520	45943	51635	7711	5643	3711	7274	4532	0	4595	9035	19838	8899	11739	4591	15546	10434	5302	7268	6114	7482	7585	8081	10377	10525	19448	34826	0	12126	18111	6307	8628	8524	8003	4373	11768	11240	7968	6603	0	5680	16617	Phytochemical	0.33333334	1.0952381	0.04761905
6	C21 H23 O7 N1	402.15472	402.15533	-0.21936703	402.15463	18015	25738	21460	22943	13762	11521	8164	16685	18929	69811	37773	8055	20067	8589	10103	16568	10659	18109	25346	62539	79373	30107	14174	17950	9121	49659	7935	28264	13043	11310	10787	14282	18173	11527	75520	13385	16225	9895	14670	37734	48998	9392	0	0	0	31860	42095	0	17917	13335	21066	24166	10509	0	18789	12518	6791	15767	6432	11583	14186	29191	17498	12813	6917	16712	11864	16572	58993	85665	93930	11949	12706	11562	8161	10314	0	7731	12761	19545	10541	17443	9134	24505	13565	7427	14514	8525	9183	21180	21852	18320	21852	32657	45008	0	21569	20883	11362	13066	16537	14169	7878	20417	20530	13149	10888	0	9468	18269	Phytochemical	0.33333334	1.0952381	0.04761905
2	C20 H23 O6 N3	402.16595	402.16666	-0.19071066	402.1659	6342	7329	4938	4899	2891	0	6402	7717	4027	5684	5728	8067	3609	1294	6593	2631	9940	4334	5468	5681	0	8604	7857	7020	2567	5462	1696	7568	6166	5587	0	6461	9439	0	10585	0	7473	5970	11798	7718	11636	0	0	0	0	4934	8641	0	7809	4145	5471	5498	3753	0	6442	2578	2572	6390	2987	5965	3157	5571	4266	4220	0	3831	5228	14898	6793	7241	11808	0	0	5521	1230	0	0	5230	7393	73484	7298	5480	5550	5121	2938	3150	9283	5495	4212	21366	8683	8152	13608	12855	2259	0	5601	6987	3399	2572	2966	5113	6419	5206	5108	7412	2097	0	5776	2445	Peptide	0.3	1.15	0.15
16	C20 H23 O6 N3	402.16595	402.1669	0.22565635	402.16605	117005	121679	138309	128143	82350	68965	108227	112398	76646	161558	102825	78598	90671	57389	96889	139936	123906	96525	107425	172440	169055	136524	114198	150781	100434	192957	87366	84907	110761	99066	105200	122740	133629	92581	159905	113010	139115	98662	141152	132855	138903	73109	0	513	0	100765	103397	0	124086	108224	121730	110457	90326	375	80924	61854	63992	135922	86374	89135	136116	87185	83076	56432	51437	85760	78393	125014	164677	238645	273590	108249	108482	86726	95094	107282	0	78217	146878	90393	101681	84777	102829	115192	85201	62357	147645	81468	88581	206334	56173	143384	216103	79521	104843	623	122409	118658	78376	71737	70719	129521	73879	123083	60370	160048	68729	0	117559	99957	Peptide	0.3	1.15	0.15
12	C18 H27 O9 N1	402.17587	402.17636	-0.20562747	402.17578	204806	206855	219866	213427	202395	178964	243845	569182	289043	263614	183131	228798	351833	98652	414970	266102	332655	407488	506913	511484	576700	279284	461664	355449	289447	377649	121172	188827	483297	293016	342599	219342	367014	274234	445092	344537	244352	292999	273644	294368	260745	241394	9029	1432	934	390330	305658	704	229850	349645	216986	196967	232496	1612	554540	291544	166760	268681	400499	304277	357151	279160	344252	323674	137578	267263	225030	259227	441964	423701	382922	277311	295006	376645	195050	226850	387	306522	316662	209804	334430	248332	269138	189545	350659	229270	284616	134580	224052	268378	146473	264167	380383	194962	168983	4123	237419	366449	235896	204813	259303	307124	247217	315034	259660	266008	275459	1196	235277	354718	Lipid	0.5	1.5	0.055555556
14	C17 H27 O8 N3	402.1871	402.18762	-0.016719587	402.18707	0	0	0	0	1133	0	0	1594	0	2077	1765	1194	0	0	3754	0	0	1417	0	0	0	0	0	6420	3010	0	1494	16327	1422	0	1893	0	2556	2642	0	2019	0	2643	0	0	0	1553	0	0	0	0	0	0	3821	0	3136	0	988	0	0	880	0	4852	0	0	0	0	0	0	0	0	1401	1369	0	0	0	3392	2545	0	1828	3018	0	1515	1489	0	1409	0	0	0	0	0	1870	0	0	0	21297	5737	6675	0	0	0	4418	2445	0	0	0	0	0	0	0	3569	0	0	0	0	Peptide	0.47058824	1.5882353	0.1764706
6	C17 H27 O8 N3	402.1871	402.18768	-0.21860641	402.187	11768	13354	12325	15370	6648	7058	10657	15705	8759	4996	4096	7463	14697	3593	15086	15772	9409	11153	15138	7309	5098	16636	13217	16259	11173	0	7522	10218	16516	10559	14030	18846	21836	12973	8645	16304	18304	12754	12714	3485	2362	8177	0	0	0	7030	0	0	16739	10149	15611	13958	8468	0	16275	5600	5860	20984	7159	3483	19634	1729	12810	8586	3756	13039	7709	15073	0	1634	0	11048	12082	11584	5722	10250	0	9762	8717	8429	7756	2759	4040	1090	5283	5423	12587	9372	10354	19627	75922	67817	32761	5984	4822	0	11807	12690	5028	5332	6827	20772	7642	9939	0	17675	8128	0	9039	15509	Peptide	0.47058824	1.5882353	0.1764706
12	C17 H27 O8 N3	402.1871	402.18747	-0.078952484	402.18707	3644	4471	2103	0	1309	1233	0	3080	0	0	0	1582	0	892	5372	6469	2899	2067	1893	0	1266	0	3596	4923	3002	0	1733	11316	6385	2022	4140	4128	4077	4303	2060	4315	4875	2667	0	1470	0	1333	0	0	0	2024	0	0	5110	1621	2420	3544	1366	0	3136	0	1358	3919	0	0	0	0	2294	0	1548	1777	2251	0	0	1191	0	3131	2941	3606	1106	1639	0	2519	1867	0	1895	849	1251	0	0	1265	3113	1987	2510	0	21954	16876	7031	0	1405	0	3589	0	1210	0	0	3337	1005	0	0	4174	916	0	2666	1950	Peptide	0.47058824	1.5882353	0.1764706
2	C17 H27 O8 N3	402.1871	402.18777	-0.1989715	402.187	8019	9523	9065	7601	6402	0	6761	12864	7610	2749	3310	9253	11641	2733	6857	2779	10511	10900	11106	2438	4069	9111	8377	8927	4886	0	0	7022	12658	7398	11420	11005	17812	10369	4798	8953	14391	7520	13155	1726	2323	5181	0	0	0	3559	2863	0	9775	6017	9651	8581	7085	0	9699	4657	3765	13108	3802	2834	4982	1140	12772	8980	3664	14556	8698	13024	0	1380	953	9897	10846	7350	1687	8118	0	7470	8421	4994	6436	1364	2439	951	6708	5676	8049	8102	7189	15740	24548	18713	19502	3189	797	0	8318	7065	4074	4773	4361	7748	6961	4864	2017	13411	5446	0	5713	13871	Peptide	0.47058824	1.5882353	0.1764706
10	C17 H27 O8 N3	402.1871	402.18753	-0.20587039	402.187	6104	7788	9083	6829	2784	4058	4574	7385	2524	2890	1413	2920	4394	1884	7582	10100	4317	4519	5268	2586	1825	8023	5492	9483	8461	0	3253	3619	8849	6765	8271	7035	8965	6613	2448	6847	8499	4902	3920	1831	1539	2398	0	0	0	1986	0	0	9736	4553	6331	6070	3022	0	2651	1125	1421	10553	3068	2412	10824	0	2667	1875	1795	5094	3765	6591	0	0	0	6668	4311	6820	3173	4727	0	5332	5093	0	5018	1964	2453	0	3054	2019	6447	4055	4680	9847	37498	28578	21285	2169	0	0	6404	7682	1607	1322	1103	12106	4615	4534	0	7642	1279	0	5721	4195	Peptide	0.47058824	1.5882353	0.1764706
24	C22 H27 O6 N1	402.1911	402.19147	-0.19439104	402.19104	38038	36949	35716	35898	44156	26911	12424	28806	24355	66036	60702	19375	31427	22853	18248	35909	24091	33163	36476	76783	84029	39722	23360	43468	19316	96829	8186	62589	21603	22045	21896	25206	31928	31228	70524	27205	30736	16970	22440	63057	61281	22902	2398	0	0	39633	44270	0	32483	19366	35854	33137	29068	0	25148	22723	17979	35331	22706	20306	41071	42869	26029	19561	15301	40208	28948	25457	98382	96560	119648	29138	26437	20058	22435	21676	0	18741	26114	31542	19157	27950	23147	48431	29209	15771	29042	24062	25409	44163	28986	41430	45200	38043	57931	0	32921	28357	22061	24614	27074	35583	15108	37477	26796	35927	25454	0	23097	36393	Phytochemical	0.27272728	1.2272727	0.045454547
26	C22 H27 O6 N1	402.1911	402.1915	-0.25080365	402.191	16520	17899	16838	10546	10599	8251	4847	20575	9521	17693	16908	9012	9702	5640	8361	30331	16629	10796	12430	14801	18216	23763	11957	32124	12512	22602	3335	12881	9646	10116	14038	14247	14487	12094	14657	15708	14972	6991	17048	15872	21016	11256	0	0	0	13876	15978	0	14925	12270	15102	14573	10776	0	11440	8193	5287	28335	5788	8993	29527	14590	6954	9700	4847	12270	10851	17833	30933	23259	38754	13756	14250	8642	14869	13211	0	8272	21190	11404	11728	8007	8434	10030	8170	0	27125	9673	13309	69688	11444	12554	53347	10606	14083	0	15369	14484	8116	6635	7350	14844	11563	16160	7195	28488	6442	0	18222	8412	Phytochemical	0.27272728	1.2272727	0.045454547
22	C22 H27 O6 N1	402.1911	402.19153	-0.17634371	402.19104	102186	101848	88978	101827	67186	114755	87633	67870	85691	151458	126664	81789	55303	46731	105903	101550	214468	58868	88289	175210	188725	96623	72560	107221	86074	248969	81031	124508	78644	62598	58385	81338	93866	73147	144269	81991	111154	98690	179967	141879	151716	133163	0	0	734	92825	99831	0	75246	61398	91990	94193	92597	470	62843	42033	135146	102632	42635	58822	92733	95800	63356	88127	76497	73627	109187	228171	220020	265529	273751	63559	57179	46984	62365	61899	551	65607	147061	73768	98592	54923	48156	103417	70664	94005	162472	124424	89531	89453	104139	112367	123442	91121	123487	0	89278	89357	58473	55455	52803	152530	72709	75698	57173	103245	48397	0	96886	72010	Phytochemical	0.27272728	1.2272727	0.045454547
8	C24 H28 O3 N1 Na1	402.20398	402.20468	0.15579018	402.20404	0	60168	0	58917	0	0	41166	83710	12555	64194	38748	47858	11319	9471	44454	0	71196	23637	28401	83922	74376	0	52881	0	63012	28635	39750	40266	79037	33724	59289	65667	70644	0	73392	70308	64860	45069	0	88236	61965	33933	0	0	0	49338	63051	0	70293	63236	55899	59067	0	0	19449	9450	18885	5450	11001	30771	55644	45552	7221	19209	15750	0	29865	82839	18738	54291	47454	63240	49194	35592	50988	70799	0	85565	0	52074	48519	23550	0	55365	7551	16914	0	37401	31836	0	116517	68277	145701	50796	74286	0	55746	53685	12849	7551	12306	67599	43314	67422	0	0	10509	0	0	14574	Phytochemical	0.125	1.1666666	0.041666668
4	C19 H31 O8 N1	402.21225	402.21292	-0.15087558	402.2122	11332	17147	14281	9269	3177	3852	66717	9176	3500	7448	173498	60897	6016	3246	12815	39578	67632	4861	5594	13336	8452	7796	10112	7464	22806	418564	140217	447496	11016	7751	8778	9596	10447	7031	8605	10469	9005	25340	45912	5497	15600	3834	0	0	0	6752	19163	0	9104	9448	20283	14078	3205	0	5512	4020	4183	8242	5682	9904	15519	46056	5351	4003	587669	3831	4413	11095	483033	59138	39935	5408	6965	13705	5803	7181	0	7631	23143	2080064	21613	61601	21710	21795	3861	2901	11476	7294	4816	17268	14131	15927	46447	18358	8479	0	12704	28386	4846	3422	3679	10946	6591	10177	45232	7498	3059	0	57233	6423	Lipid	0.42105263	1.6315789	0.05263158
24	C19 H31 O8 N1	402.21225	402.2126	-0.24984999	402.21213	15445	14218	15344	13040	9343	14000	9895	15137	11621	21212	6663	8809	32935	9310	10577	14799	9015	25822	19910	16287	16968	10284	13262	16721	7304	8243	5500	7898	16600	12534	12976	11709	12104	15632	22752	15443	17267	9758	12060	13079	8480	6745	0	0	0	14083	8585	0	12160	12393	15737	15305	15417	0	31901	17944	7865	16646	11693	6190	15376	8873	27358	17725	7981	24878	13188	8245	8615	21169	11766	15864	14092	15792	10178	13759	0	10109	15695	2583	9424	7114	13293	12839	16502	7674	12162	7513	9065	8293	10535	14854	15824	6546	12201	0	18058	17241	9298	16804	15208	15029	6535	16046	9540	14808	12083	0	10637	27482	Lipid	0.42105263	1.6315789	0.05263158
6	C18 H31 O7 N3	402.22348	402.22406	-0.098226644	402.22345	3583	2096	3754	2453	1575	2722	1583	1823	1621	0	0	1122	2181	881	2747	3725	2099	1435	2447	851	0	2513	1093	4383	3525	0	1407	0	3348	3141	2008	2338	5524	2306	1402	2185	4254	1791	2308	0	0	850	0	0	0	0	0	0	3646	1734	3406	2534	1306	0	1849	1045	0	5911	0	0	3268	0	1053	0	1043	1907	954	2606	0	0	0	1682	1612	1910	767	2152	0	1911	1756	0	907	0	466	0	778	1100	5308	1413	1201	14579	30418	20628	9869	0	983	0	2910	2802	945	475	0	3469	1410	1758	0	5820	1348	0	1726	2950	Peptide	0.3888889	1.7222222	0.16666667
8	C18 H31 O7 N3	402.22348	402.22406	-0.042156793	402.22345	2626	1596	2364	2613	851	1784	1436	3915	0	854	0	1302	0	0	3384	5724	1548	1647	2243	1622	0	3747	1988	2713	3283	0	2017	5663	2604	1692	2356	3310	2847	1974	1721	2670	4340	1945	1710	0	0	1687	0	0	0	0	0	0	3915	1693	2320	3758	1308	0	1527	0	0	5141	0	0	0	0	929	0	0	1373	1211	2512	0	0	0	1839	2057	1607	1687	3483	0	2042	1416	3661	1075	0	0	0	0	0	2255	877	1248	3734	29449	19546	7119	0	0	0	3061	2170	0	0	0	3325	2025	0	0	3479	0	0	3666	1166	Peptide	0.3888889	1.7222222	0.16666667
12	C18 H31 O7 N3	402.22348	402.2239	0.09060692	402.2235	0	0	0	6796	7578	7365	0	3807	2832	0	0	0	0	3594	5772	0	0	0	0	0	0	0	3492	0	3684	0	0	0	6172	0	0	0	0	5364	0	4818	4884	4221	0	4840	0	0	0	0	0	0	0	0	4344	0	0	0	0	0	5073	0	0	6855	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2712	0	0	4977	0	4431	2529	0	0	0	3381	0	0	0	0	58427	29663	6225	0	3870	0	0	0	0	0	0	0	0	0	0	8370	3642	0	3135	0	Peptide	0.3888889	1.7222222	0.16666667
10	C18 H31 O7 N3	402.22348	402.22397	0.092029326	402.2235	3264	3464	4454	3458	1426	0	2163	3917	932	1074	0	987	1505	13106	6883	10856	0	0	2087	2031	0	0	4239	6532	12837	0	2214	0	5653	1557	3699	3603	4357	2561	0	5052	2512	6023	0	0	0	1356	0	0	0	0	0	0	4293	1650	2478	3775	1050	0	0	0	693	12635	0	0	11191	0	1070	0	722	1482	1234	3196	0	0	0	1891	2443	1803	1734	946	0	1381	2272	0	3248	5269	0	0	0	1423	4323	920	1323	2495	28444	16800	7681	0	0	0	5638	2239	1393	785	0	2861	2018	0	0	5146	1167	0	4880	2036	Peptide	0.3888889	1.7222222	0.16666667
6	C23 H31 O5 N1	402.2275	402.22806	-0.2781293	402.2274	16062	15021	14737	14383	1083	4344	13335	31807	1484	18576	9368	15997	911	0	18544	28133	19874	2195	4904	28161	21586	11254	11979	31013	17173	9872	13045	9856	25983	29164	26870	30318	23358	23039	21558	30179	32299	12616	24187	14251	5749	4905	0	0	0	12271	9688	0	37594	25246	15596	13953	3739	0	1541	494	3859	25445	0	0	27600	7578	870	2093	2352	2041	6177	26244	7155	15698	11055	25182	24769	30080	25706	22096	0	15847	12629	9000	10101	1357	2309	9629	0	2328	9566	6700	7407	29196	19893	4365	28304	9682	17582	0	15310	14244	653	706	586	29389	14645	21173	0	31703	1296	0	14005	1063	Lipid	0.2173913	1.3478261	0.04347826
16	C23 H31 O5 N1	402.2275	402.22794	-0.2561068	402.2274	13025	20662	19978	19156	6031	7097	15002	20354	5512	25762	20723	11974	6701	5624	12121	23795	31358	3498	11933	48335	42102	15919	8958	18291	16397	52266	12873	26279	18988	16983	19184	20499	22409	14680	25085	17558	23325	10005	35839	22532	25177	9459	328	0	0	12728	20936	0	27136	14056	19685	16448	6342	0	5838	4058	6912	24469	2435	15241	19463	10283	4874	5846	5508	12355	12425	27793	37148	48269	52425	16958	13084	20314	24812	19990	0	10771	15101	19032	11008	4578	11220	16427	6514	3855	17832	10292	8792	47690	30997	13310	0	10766	25152	0	20215	20071	5545	4776	4665	21003	10116	17321	7505	17352	4162	0	16669	6224	Lipid	0.2173913	1.3478261	0.04347826
28	C23 H31 O5 N1	402.2275	402.22794	-0.11331261	402.22745	10262	9808	10469	8902	4002	1216	15895	24543	1961	2799	4857	5487	0	2686	8106	51400	39948	2443	5447	2720	0	3776	9656	21484	20610	5861	13285	6086	25515	41910	16748	34650	23526	7361	1391	44130	14134	9382	36359	2603	4679	11746	0	0	0	4167	2359	0	18579	27963	9931	9609	4312	0	1967	0	2354	42077	1788	3587	44409	1849	974	1408	3502	2854	8222	44753	6853	4778	7590	4765	6711	50991	31694	36764	0	9560	16351	5268	6707	2466	3392	3352	2063	2558	35740	4415	9850	67783	12107	10656	23219	2294	0	0	9994	9619	1956	3270	2934	34652	8074	3683	0	45247	1171	0	20592	0	Lipid	0.2173913	1.3478261	0.04347826
12	C23 H31 O5 N1	402.2275	402.228	-0.1976342	402.22742	41873	46485	29207	57567	4364	7547	21341	24494	4635	38526	22610	14479	2228	4641	11787	23404	21178	6669	11124	54149	50712	11425	14823	22859	16179	42827	18418	19497	23680	17782	23780	32839	95010	22585	56805	24616	46703	17222	25529	32304	8808	8941	0	0	0	16482	15776	0	29048	20900	28494	47855	7271	0	6029	1406	6179	42547	0	0	18852	13753	3699	3258	5655	7199	7727	45060	30716	59831	51104	22746	23076	19367	33459	20382	0	16896	16764	17563	18772	1449	1768	19469	2043	4566	15890	9426	9065	238791	25629	3000	35138	17040	24645	0	22211	21317	5425	3140	2603	66177	13318	17593	25475	33540	3662	0	17640	4424	Lipid	0.2173913	1.3478261	0.04347826
26	C23 H31 O5 N1	402.2275	402.2279	-0.18863295	402.22742	24885	31005	25626	26166	25745	16921	10533	29878	17300	23432	38614	17111	20097	15209	18186	40483	35843	15545	24950	36793	36296	24202	16283	34456	31030	68665	8300	39949	27321	30702	25030	28690	31924	26023	33000	35455	26929	17610	36156	32420	38872	18603	0	0	0	22035	19029	0	26088	27871	29095	25932	20328	0	23067	17733	11774	42675	22270	15658	37555	20133	14721	19458	9036	19578	21825	59076	55441	52277	59975	22029	23522	23112	17203	23426	0	17320	35834	21193	16754	20855	20853	31205	18579	9401	80677	17318	16735	47103	42370	45211	43673	29438	26175	0	31618	29319	14844	19939	22767	33700	12377	28438	25781	37458	21875	0	33164	15086	Lipid	0.2173913	1.3478261	0.04347826
14	C23 H31 O5 N1	402.2275	402.22794	-0.24839157	402.2274	12185	13089	16492	13532	4390	6149	13522	18108	4762	28445	24242	10118	2405	5167	7940	18292	15597	3707	6328	39142	37888	12580	8888	18393	12999	42386	12600	23166	15038	14425	14607	17444	27360	13304	28477	18527	24198	9716	28981	24889	16427	8659	0	0	0	9914	9634	0	18787	16207	16497	14398	6249	0	4149	3365	7471	22118	0	6113	18238	5082	1800	2642	5875	5943	11513	25509	22764	55345	42963	17133	11500	14776	20072	15002	0	9579	11099	0	9977	1493	4429	12940	4980	2436	16351	7702	7718	47745	27927	8015	31758	11111	21402	0	11965	14671	5111	2937	3687	24097	9155	10246	0	21409	4209	0	11502	2110	Lipid	0.2173913	1.3478261	0.04347826
12	C16 H35 O10 N1	402.23337	402.2339	-0.15850125	402.2333	23110	16436	43330	22828	16616	23823	0	52329	9561	23191	99510	19403	22948	33339	26276	8536	31621	22130	12124	29443	23558	8217	28832	13475	27346	48764	18861	247534	12927	26164	8886	6252	4700	5338	6325	15993	4964	11444	6090	29562	34684	26226	135547	27316	36423	133695	102885	27792	9599	38615	26587	18843	11530	81427	13756	15719	14642	8316	338801	49472	55936	170193	18323	11569	22024	14712	82729	0	188404	86708	47147	12502	10909	22825	3445	5377	70442	14351	8941	630927	0	16946	11878	13298	22505	35041	5155	15247	10387	7070	10261	29026	10675	56173	23969	22941	36515	25724	10313	5900	14299	12858	10219	113692	1097139	8049	19407	49322	8263	9489	Unclassified	0.625	2.1875	0.0625
4	C17 H31 O6 N5	402.2347	402.23526	-0.16569066	402.23465	973	1088	1295	650	0	630	0	0	0	0	1520	0	0	0	723	0	0	0	0	0	0	0	0	0	0	0	0	20813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	714	758	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	159526	0	0	0	0	0	0	0	0	0	472	91324	23306	0	9898	0	0	1013	1265	755	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.8235294	0.29411766
6	C17 H31 O6 N5	402.2347	402.23486	-0.4013129	402.23456	0	0	0	0	0	0	0	0	0	0	0	0	0	370	0	0	0	0	0	0	0	0	0	0	0	0	0	7984	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	388	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47371	0	0	0	0	0	0	0	0	0	0	8504	4709	0	2387	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.8235294	0.29411766
2	C17 H31 O6 N5	402.2347	402.23535	-0.120038435	402.23465	1734	1384	1671	1555	381	13844	0	650	455	0	2257	369	0	0	617	0	1410	1443	0	0	0	0	0	0	415	0	0	156891	707	0	503	0	1722	0	0	0	0	679	1028	0	0	0	0	0	0	0	0	0	648	0	1483	986	2981	0	0	0	0	734	0	0	0	0	0	270	0	5184	0	622	0	0	0	0	0	0	0	0	0	607	0	199079	0	0	0	0	0	669	347	757	0	0	42741	30483	803	9957	0	0	2583	2187	649	0	0	643	1016	0	0	0	265	0	0	0	Peptide	0.3529412	1.8235294	0.29411766
0	C17 H31 O6 N5	402.2347	402.23532	-0.3106975	402.2346	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22923	847	0	0	0	0	0	0	0	0	0	789	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1088	0	0	0	0	0	0	0	0	0	0	0	14198	0	0	0	0	0	0	0	0	0	0	2978	1513	0	1652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.8235294	0.29411766
12	C22 H31 O4 N3	402.23874	402.23917	-0.15496702	402.23868	0	0	0	0	0	0	0	1592	0	0	0	0	0	0	879	4162	0	0	0	0	1416	0	0	0	0	0	0	0	0	0	1560	0	0	0	0	1488	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1599	0	0	0	0	0	0	0	0	0	0	2504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	435	0	0	0	0	0	0	1025	0	0	0	0	0	0	2676	0	2415	0	0	0	0	0	0	0	0	0	0	0	28803	0	0	0	0	0	Peptide	0.18181819	1.4090909	0.13636364
14	C22 H31 O4 N3	402.23874	402.23938	-0.15834768	402.23868	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1330	11762	0	0	0	0	0	0	0	13062	0	0	0	0	0	1280	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1361	0	0	0	0	0	0	0	2704	0	0	0	0	0	0	0	0	0	1417	0	0	0	0	0	0	0	0	0	955	0	0	0	0	0	0	0	0	0	0	0	0	20191	0	2576	0	0	0	0	0	0	0	0	0	0	0	0	1609	0	0	0	0	Peptide	0.18181819	1.4090909	0.13636364
16	C20 H35 O7 N1	402.24863	402.24902	-0.32154915	402.2485	7979	6446	9324	5383	3771	6572	17852	9420	2472	0	3124	5692	7360	3581	5840	11659	20377	4272	5458	4808	0	0	5569	7016	8682	1834	13811	1657	15054	11691	8929	7015	8976	6888	2755	13425	8550	6790	16471	1839	0	6827	500	0	0	2843	3243	0	13225	9032	6169	6846	3334	0	3188	4094	2429	10429	0	4045	13969	1105	2778	3694	4532	4896	5153	14250	2370	0	2038	5001	10957	15252	16870	12245	387	5464	6637	7364	4504	1762	15806	11222	6725	5612	10842	4102	4874	0	12230	6376	0	1909	0	0	7183	14403	4727	8442	15242	16770	3341	7944	0	0	9116	0	7718	2577	Lipid	0.35	1.75	0.05
18	C20 H35 O7 N1	402.24863	402.24902	-0.25433376	402.24854	13604	16193	13644	14336	6892	10177	60782	20728	4956	0	3771	9996	9215	10150	17263	21562	24051	17400	20602	8197	3771	4739	15847	18633	18478	12383	44624	6409	27986	28014	16436	17186	20822	20862	3424	24644	20872	12209	28226	2667	5269	16174	1418	0	0	10500	3229	0	26150	19449	10369	13218	14402	0	20212	20138	11158	20166	7260	7094	24224	2060	8606	9127	13537	12159	17469	19066	2554	1860	1933	11392	17835	21742	24164	19735	0	9851	16081	8012	9853	6244	79273	41276	16960	13201	21582	10371	14767	19201	26781	20233	21751	7174	7128	0	12297	18957	6498	23977	34553	26293	7587	11482	6362	12057	16394	0	16143	8024	Lipid	0.35	1.75	0.05
12	C20 H35 O7 N1	402.24863	402.24902	-0.21303862	402.24854	0	0	1479	0	0	2426	0	3213	0	0	3940	1824	0	992	1119	3907	2068	0	2570	0	0	0	1145	3272	4445	0	0	0	3726	1478	2110	3080	3279	3577	0	3034	2432	3197	3148	0	0	0	0	0	0	1391	0	0	2429	1438	1505	0	1438	0	1814	0	0	5158	13686	0	0	11402	2845	0	0	0	1114	0	0	1601	0	2088	1968	4099	0	1546	0	2897	1750	0	1429	1095	0	0	2049	1111	4891	0	0	14728	3866	3904	6874	0	1534	0	0	0	0	1664	0	0	2913	0	44582	3657	1165	0	2008	2240	Lipid	0.35	1.75	0.05
12	C19 H35 O6 N3	402.25986	402.26038	-0.20256554	402.25977	8300	10635	8423	7951	0	8673	0	0	0	0	0	0	0	0	2077	0	0	0	0	0	0	0	0	0	0	0	0	105703	0	0	0	0	0	0	0	0	0	0	0	0	0	1085	0	0	0	0	0	0	0	0	9492	10657	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24679	0	0	0	0	0	0	0	0	0	0	834250	1249877	0	8377	1500	0	6024	6598	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.31578946	1.8421053	0.15789473
14	C19 H35 O6 N3	402.25986	402.2601	-0.16652201	402.2598	3663	0	0	1962	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	265044	228632	0	0	1563	0	0	2463	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.31578946	1.8421053	0.15789473
20	C24 H35 O4 N1	402.2639	402.26425	-0.18714927	402.26382	1673	1718	2898	0	0	0	1368	1764	0	2980	3107	2507	0	0	0	4388	8586	0	0	2132	0	1824	0	2156	1961	3380	3851	1648	1409	3493	2343	2161	0	2646	1688	7358	2691	1771	6210	0	2661	0	0	0	0	0	2025	0	3068	3128	4612	2008	0	0	0	0	0	3077	0	3784	2313	1109	0	0	0	0	0	8416	3946	3718	5235	0	1420	4110	5025	3058	0	1568	1586	3493	1723	0	0	0	0	0	5678	0	0	21017	6976	3562	6585	3037	0	0	0	1507	0	1504	0	3622	1951	2207	0	3662	0	0	2000	0	Lipid	0.16666667	1.4583334	0.041666668
24	C24 H35 O4 N1	402.2639	402.26422	-0.26582035	402.26376	13295	14728	18579	17098	16279	7113	12141	20825	6669	8628	18721	11574	6158	6172	12140	35067	34896	5490	11984	23276	19726	22275	8302	16784	17811	48817	11075	19179	17336	22655	19743	23305	21532	19664	8378	28167	19191	11086	33195	14739	26703	10605	0	0	0	9992	16161	0	23636	19057	19690	16408	11947	0	6548	4593	4481	31000	10061	18767	28051	8975	6212	4762	5596	4759	13162	39122	32608	21706	38428	13500	19039	19025	25989	25842	0	12352	16240	26228	9154	8497	15378	14038	6216	6189	27862	13612	10473	97270	34742	25859	47239	21429	20083	0	22995	21239	6516	8726	7747	26202	11580	26396	8358	28004	7689	0	27793	7935	Lipid	0.16666667	1.4583334	0.041666668
10	C24 H35 O4 N1	402.2639	402.26428	-0.26098543	402.2638	6845	5415	4587	4303	0	0	3555	16451	0	2722	3675	14343	0	0	7650	15785	4804	0	0	9460	3756	1640	4589	10214	9649	2600	6884	3156	16725	13716	13897	18949	13517	12097	7641	15816	20039	7178	2249	4860	0	2272	0	0	0	2226	0	0	19263	12300	4500	5932	784	0	0	0	1087	10853	0	0	14516	0	0	0	1197	0	2008	13555	0	3021	2123	14797	8214	18998	11382	10003	0	11674	1157	0	3278	0	0	2742	0	776	3356	2120	3412	24256	7811	0	33934	2483	6837	0	6771	4468	0	0	0	9475	10722	3771	0	27101	0	0	2202	0	Lipid	0.16666667	1.4583334	0.041666668
22	C24 H35 O4 N1	402.2639	402.26422	-0.2614315	402.2638	8283	5732	9984	8119	2941	2933	6232	8403	1562	4563	7652	7305	0	0	3770	21984	26760	2495	5390	4844	8942	5941	2007	5961	11465	21641	6993	8177	8926	7798	5981	8325	8421	8946	4272	14595	6638	7670	25123	5568	15107	4441	0	0	0	3679	9653	0	9922	7167	8609	9640	3117	0	0	0	2693	13934	3174	14185	15238	2503	0	1461	1551	1760	2354	28934	9179	10440	10830	4892	6267	8266	17094	8262	0	5285	6208	9366	3624	4989	9703	3441	2720	2301	16762	6147	3547	58504	16953	8412	18359	4027	11963	0	8066	10366	3515	1560	1864	16623	6144	9635	2541	9346	3078	0	13880	1891	Lipid	0.16666667	1.4583334	0.041666668
14	C24 H35 O4 N1	402.2639	402.26428	-0.19268714	402.2638	13498	12208	11755	12993	0	2025	10784	40225	0	5010	5670	18071	0	0	14604	38672	7639	0	0	15834	6282	0	9185	22786	30100	4440	14243	7420	27905	38619	27726	35335	22520	30125	5256	39379	31130	11498	4619	6966	0	4794	0	0	0	6456	0	0	34158	34480	10674	11692	1329	0	0	0	2209	26936	0	0	27409	0	0	0	1926	0	4339	25731	0	7956	3543	27421	35225	44620	26882	37021	0	16019	4803	0	8484	0	0	5625	0	0	3497	4671	4658	225132	15470	0	41711	0	9451	0	13487	12296	0	0	0	25022	15875	8329	0	48351	0	0	5528	0	Lipid	0.16666667	1.4583334	0.041666668
12	C24 H35 O4 N1	402.2639	402.2643	-0.22129005	402.2638	5530	9333	9070	10690	0	1296	7121	20977	0	5342	4629	9866	0	0	10030	25728	6823	0	1532	6995	5308	0	6824	12989	18170	4655	9839	0	19757	18088	18486	22075	20924	15249	9297	18569	20578	7590	4828	4832	0	4199	0	0	0	0	0	0	24480	15479	8707	7884	1553	0	0	0	997	15194	6930	0	0	0	0	0	997	0	3498	14443	0	4245	1805	16098	19407	18778	17490	12947	0	12174	2422	0	5060	0	0	5092	0	0	1937	2039	4377	298415	9473	0	170082	0	8073	0	6721	12429	0	0	0	19304	9913	3268	0	81869	0	0	4431	0	Lipid	0.16666667	1.4583334	0.041666668
0	C18 H35 O5 N5	402.2711	402.27136	-0.37855753	402.27094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21810	0	0	0	0	1569	0	0	0	0	0	0	0	0	2409	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38693	0	0	0	0	0	0	0	0	0	0	55597	13839	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2777778	1.9444444	0.2777778
12	C21 H36 O3 N3 Na1	402.2727	402.27335	0.28156275	402.27283	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11715	0	0	0	0	45969	0	0	0	0	0	0	0	0	0	0	20679	0	0	0	0	0	0	0	0	0	0	78652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45299	0	0	0	0	0	0	0	0	0	0	2130847	0	0	0	0	0	Peptide	0.14285715	1.7142857	0.14285715
24	C21 H39 O6 N1	402.285	402.2853	-0.2710365	402.2849	3098	4068	2404	4189	1804	3696	121461	1875	1158	1208	3907	0	4293	17601	1653	1515	1808	0	1823	0	1413	0	0	1828	2158	5808	88550	16055	3140	2679	1823	3936	3585	2801	0	2400	0	1504	1556	0	0	1360	1842	0	0	0	1736	0	3118	2500	3884	5385	1576	0	0	0	1876	3943	2962	2005	2928	0	5154	0	20619	11747	8824	3060	0	0	1912	2638	1526	0	1989	1316	0	974	1443	15413	0	3069	36778	23564	2059	9742	2774	0	1540	2796	39971	28245	1341	1613	0	0	3990	5117	1948	0	6204	3200	0	2165	10121	2049	1389	0	1989	2119	Lipid	0.2857143	1.8571428	0.04761905
22	C21 H39 O6 N1	402.285	402.2853	-0.13152593	402.28497	3138	0	1852	1614	0	0	85590	1717	0	0	1514	0	0	8058	0	0	1771	0	0	0	0	0	0	1609	1243	3446	60112	5355	0	1777	0	0	0	0	0	0	0	0	1203	0	0	0	0	0	0	0	0	0	1768	1564	2326	2091	1271	301	0	0	1130	2584	0	0	1600	0	1519	0	5727	2714	2468	3068	0	0	0	1709	0	0	0	2445	0	0	0	3832	0	0	34736	26625	0	0	1500	1351	1177	0	12753	7245	0	0	0	0	2310	1596	0	0	0	0	0	0	0	3224	1231	0	1301	0	Lipid	0.2857143	1.8571428	0.04761905
26	C21 H39 O6 N1	402.285	402.2852	-0.2530716	402.2849	5113	0	3005	0	3045	0	55489	0	0	0	8676	0	0	10235	0	0	0	0	0	0	0	0	0	0	0	0	31094	23855	0	0	0	4103	4265	0	1574	0	1966	0	0	0	0	0	0	0	0	0	0	0	0	0	2908	2659	0	0	0	0	0	2874	9653	0	0	2986	2427	0	10952	7430	7644	0	0	0	1824	0	0	0	0	0	0	0	0	20942	0	3908	11454	8378	0	9973	2178	0	0	0	56790	85310	0	8732	0	0	3108	0	0	0	0	0	0	0	26041	0	0	0	0	0	Lipid	0.2857143	1.8571428	0.04761905
20	C21 H39 O6 N1	402.285	402.28452	-0.24178281	402.2849	0	0	0	0	0	0	8839	0	0	0	0	0	0	1710	0	0	0	0	0	0	0	0	0	0	0	0	5452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1569	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10013	0	0	0	0	0	0	0	23279	8716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2857143	1.8571428	0.04761905
16	C20 H39 O5 N3	402.29623	402.29663	-0.35441846	402.2961	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2435	0	0	0	0	0	0	0	0	6311	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19626	3546	0	0	0	0	0	0	28973	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11107	0	Peptide	0.25	1.95	0.15
20	C25 H39 O3 N1	402.30026	402.30078	-0.116341986	402.30023	0	0	0	0	0	0	0	2156	0	0	0	50645	0	0	0	27518	0	0	0	0	0	0	0	0	0	0	0	0	0	4315	2541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29585	0	0	0	0	0	0	0	2451	0	0	5839	0	0	0	0	0	0	0	0	0	0	0	0	2403	0	0	0	126089	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	71296	0	0	0	0	0	0	0	Lipid	0.12	1.56	0.04
18	C25 H39 O3 N1	402.30026	402.30066	-0.16787909	402.3002	0	1666	0	0	0	0	0	17915	0	0	0	72077	0	0	0	40255	0	0	0	0	0	0	0	0	0	0	0	0	0	26676	21814	0	0	0	0	0	4850	0	0	0	0	0	0	0	0	0	0	0	0	73852	0	1648	0	0	0	0	0	2342	0	0	12114	0	0	0	0	0	0	0	0	0	0	1819	0	16048	3335	0	0	211974	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	72843	0	0	3227	0	0	0	0	Lipid	0.12	1.56	0.04
16	C25 H39 O3 N1	402.30026	402.30078	-0.22341223	402.30017	0	0	0	0	0	0	0	3949	0	0	0	26860	0	0	3323	12256	0	0	0	0	0	0	0	0	2101	0	0	0	0	3075	3540	0	0	0	0	0	1946	0	0	0	0	0	0	0	0	0	0	0	0	15812	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2959	0	0	0	52117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26596	0	0	0	0	0	0	0	Lipid	0.12	1.56	0.04
22	C18 H10 O11	403.0296	403.03012	-0.08031886	403.02954	0	0	0	1310	7079	3546	0	0	7859	0	0	1122	10033	5006	2181	0	0	8480	6660	0	0	0	5108	0	1240	0	0	0	0	0	0	0	1488	0	0	0	0	0	0	0	0	0	0	0	367	0	0	0	0	0	2765	1764	3223	291	6578	5373	3135	0	0	0	1527	0	21631	7471	2913	16390	3021	0	1853	0	0	0	0	0	0	0	752	0	2740	1426	2782	0	0	0	14090	3850	1888	3082	3626	0	0	0	0	0	0	0	0	3103	5279	10502	8789	0	0	0	0	0	4350	0	0	11603	Phytochemical	0.6111111	0.5555556	0.0
24	C18 H10 O11	403.0296	403.02997	-0.11995373	403.02954	2282	2253	3721	3913	11959	6254	2129	0	9313	0	0	2081	21161	5363	2326	0	0	17136	17198	0	0	2281	5980	1520	1545	0	0	0	0	0	0	1306	1899	1561	0	0	2167	3362	2063	0	0	3618	0	0	0	1206	0	1999	0	1410	2192	2455	9273	0	10728	7527	3632	2120	0	0	0	0	20182	13061	3873	13425	4897	1824	0	0	0	0	0	0	1508	0	0	1230	13060	0	10133	0	0	0	20021	5045	7566	6555	7025	1995	0	0	2459	2264	0	0	2754	2559	7417	14579	14313	1303	1185	0	0	1612	9329	0	3628	19635	Phytochemical	0.6111111	0.5555556	0.0
28	C18 H10 O11	403.0296	403.03	-0.115974836	403.02954	5625	7463	6850	7085	15808	9463	3056	3066	14742	917	0	4089	28729	9382	4475	5769	3554	28169	25608	0	0	876	8585	5050	0	0	6378	0	0	2204	4275	0	4182	1028	0	0	2811	4680	1646	0	1456	3759	1411	0	0	0	0	1409	1661	0	6170	7359	10892	0	16622	10176	5597	3931	1137	0	4531	1010	31954	17064	6985	23658	8503	2318	0	0	0	1221	905	0	0	0	0	3698	14208	0	13836	0	1004	0	24871	12573	8690	8557	7302	4057	0	991	0	1846	1963	0	5966	5036	9257	16111	17874	3873	2705	0	0	2659	14084	0	3735	30288	Phytochemical	0.6111111	0.5555556	0.0
26	C18 H10 O11	403.0296	403.02985	-0.24085389	403.02948	5857	3387	4968	4787	14559	6623	2246	0	9140	0	0	4340	25591	10511	0	0	0	29214	19465	0	0	0	6167	0	0	0	2285	0	0	0	2617	0	4035	0	0	0	1832	4950	2448	0	0	0	0	0	0	0	0	0	3288	0	4704	5042	8144	0	18211	8309	4896	2550	0	0	0	0	29178	15183	3420	19949	5728	3366	0	0	0	0	0	0	0	0	0	0	12281	0	13898	0	0	0	20720	11482	9602	8578	7858	4679	0	0	0	1969	0	0	4144	6613	6287	13947	15833	0	0	0	0	1362	9554	0	2942	29411	Phytochemical	0.6111111	0.5555556	0.0
18	C19 H14 O10	403.06598	403.06644	-0.117407985	403.06592	38959	36296	39542	36615	87826	47293	9502	5306	82731	75895	40212	13269	149711	42000	23606	11421	7171	118982	103260	35918	35189	75639	31345	16405	12101	7237	14673	13228	4194	2252	5773	4823	17594	6212	86598	4762	13087	22555	7405	31304	38401	21107	2666	316	511	23499	40613	1169	7496	5144	48512	42212	57115	432	102408	79294	38691	10440	15936	9130	16188	31637	152727	86203	34001	107147	37507	11580	19158	18084	21723	5494	5413	1622	6822	0	671	11650	60523	56174	38968	39669	7205	18905	99993	47515	40119	30499	36910	8708	16031	31767	19664	83690	94375	534	43628	30047	57477	101944	80571	16034	9585	14847	23188	11004	67257	338	10643	125455	Phytochemical	0.5263158	0.7368421	0.0
28	C19 H14 O10	403.06598	403.06635	-0.14165413	403.06592	7983	9501	7656	8359	17783	8720	3492	0	16268	8328	2158	2188	30384	10493	5732	2505	2555	26316	23483	3377	4112	12257	9036	2636	4414	0	3475	1315	0	0	2292	0	4215	1229	9512	0	3449	4406	2159	2974	3047	3156	0	0	0	4498	5679	1377	1229	0	9044	8865	8893	0	23730	15586	5610	3422	3064	2365	5500	2789	30255	16350	4918	21052	5590	2408	2629	3949	3135	1976	0	0	0	1206	0	2998	13602	7156	13145	4179	1717	2032	22636	11371	11317	5044	7672	4758	1915	5388	5341	8461	12428	0	6340	8026	11034	15345	19011	2068	2180	2382	4710	2909	13440	0	4299	34020	Phytochemical	0.5263158	0.7368421	0.0
24	C19 H14 O10	403.06598	403.0664	-0.072025485	403.06595	10140	8201	9816	10013	28838	12132	0	1658	24849	7580	3661	2743	41362	12095	4355	4624	0	34008	27376	4889	9447	12611	6679	3954	2841	0	4485	1437	1312	0	1354	0	1267	0	10310	0	1292	4278	0	2034	4764	3797	0	0	0	3468	8325	0	1171	0	9447	8783	15588	0	34313	23577	9054	2606	1298	1783	2900	3451	54732	30375	6027	27702	5508	2100	3793	2405	3729	0	0	0	1327	989	0	3860	18791	10049	19985	4469	3478	0	41323	19393	9041	5928	7698	2517	0	5791	1696	20730	20148	0	6022	9084	17463	26127	21757	2222	2211	2343	4870	0	21945	0	4014	47323	Phytochemical	0.5263158	0.7368421	0.0
14	C19 H14 O10	403.06598	403.06647	-0.13612004	403.06592	42269	39664	41201	42413	69969	34653	9354	9616	84770	69976	67826	10302	106865	25615	16568	13655	9659	72387	77095	44480	68025	107584	26950	12241	6517	12029	10154	18268	5946	3973	5519	0	13772	5755	104793	4479	15248	17319	10680	30363	59488	22909	0	0	0	27565	73249	515	10276	0	37155	33890	43915	293	77285	69705	34922	15567	14737	13980	0	27625	118558	72804	29855	84141	28619	14263	30882	21884	40497	3787	3842	2024	8305	4574	0	7925	44151	69621	35386	32228	5640	14378	82301	33383	31160	30858	29539	27648	10266	25291	21826	131072	95370	0	35352	35550	64535	89700	72514	15644	12761	7069	35700	8925	50853	0	9864	101103	Phytochemical	0.5263158	0.7368421	0.0
10	C19 H14 O10	403.06598	403.06653	-0.084290296	403.06595	7504	10032	5450	9852	17572	6990	1039	1081	19427	15548	19375	4002	27877	5298	2513	3911	3903	16559	16387	5791	15632	19236	7371	2986	0	2048	0	0	1731	911	1342	0	1504	0	26503	0	1584	4243	2698	3493	11737	4510	0	0	0	4751	14775	0	1735	0	6694	10463	11259	0	18666	16395	7697	1945	0	4143	0	5329	33225	20318	7497	19401	6910	3818	7342	4403	12171	0	0	0	1467	1494	0	3168	8483	12765	7806	5268	1491	0	22697	8563	6799	8870	5390	5772	0	1636	4276	28521	16019	0	8182	4922	23413	28293	26836	3937	1952	0	0	3015	13893	0	1645	25016	Phytochemical	0.5263158	0.7368421	0.0
20	C19 H14 O10	403.06598	403.0664	-0.13469535	403.06592	26304	28389	25179	21329	54922	36396	7262	3855	58987	37209	15980	6639	102062	27110	14101	3539	5805	72192	52390	16403	19587	48236	20222	9635	11977	7249	8864	7042	4974	0	5834	0	12584	2792	39086	0	9575	12197	3813	12881	14063	14962	2232	0	636	15073	26236	1907	5100	3195	27191	25253	30702	509	64024	55087	24191	13612	10695	2991	8893	14927	100809	55876	25542	70009	22366	3214	10210	10806	9496	5322	2221	0	2872	2815	1154	8082	41127	35208	32896	17159	5054	0	73860	34005	25431	17300	26166	7211	9273	12489	14317	45730	57425	1116	23258	24912	38728	62473	62475	8565	5869	3156	17454	4142	49840	0	7592	111483	Phytochemical	0.5263158	0.7368421	0.0
22	C19 H14 O10	403.06598	403.06644	-0.1104238	403.06592	13526	16092	16507	12816	33899	18633	3421	2506	34151	16254	5647	3729	49931	17539	9893	5264	2720	43913	31953	8655	11519	25037	13647	3792	5929	1979	5155	1484	1737	1664	2163	0	5148	0	15605	0	6536	6771	3024	7138	5898	4448	0	0	546	7470	16788	0	1820	1364	15465	16046	18989	626	45323	36032	15170	4947	4000	2790	2917	7076	66278	33643	11778	40607	10418	4332	11399	8774	5270	0	0	0	0	0	850	3427	23679	18214	21373	10770	3355	5124	52217	23730	16061	9306	12322	0	3310	6162	5216	29976	33760	0	11002	14831	25988	42471	38948	6863	3988	2418	9244	5321	28795	0	5893	64446	Phytochemical	0.5263158	0.7368421	0.0
26	C19 H14 O10	403.06598	403.0662	-0.18779947	403.0659	9207	7418	7031	6186	15753	13597	0	0	17224	10178	0	0	38096	12104	0	0	0	30958	23363	0	0	13185	8870	0	0	0	3044	0	0	0	0	0	3788	0	10783	0	4411	4716	0	3676	0	0	0	0	0	0	0	0	0	0	7726	6482	11969	0	26222	15877	5714	3851	0	0	0	0	43011	22040	6590	24969	5567	0	0	4186	2493	0	0	0	0	0	0	0	11876	5113	15164	3341	0	0	32128	13868	10251	5442	6116	3202	2409	3266	0	8866	14131	0	5148	6596	12180	19492	18487	0	0	0	0	0	12290	0	0	37881	Phytochemical	0.5263158	0.7368421	0.0
12	C19 H14 O10	403.06598	403.0665	-0.111783676	403.06592	24841	27628	27610	23267	31772	14073	4186	2714	44872	47021	38416	6252	48774	11914	8043	5488	5946	34930	44389	26877	39176	65595	14935	7409	1919	6261	3599	11571	2987	2589	3975	1862	8688	3076	71237	1703	7165	9648	4537	20249	48711	13243	971	0	0	13670	43954	0	2672	0	20793	24835	19318	0	44633	34140	16994	9827	0	8596	0	13804	69905	40459	14511	48906	13586	7682	16757	10466	27442	3233	2429	1655	5924	1907	0	4200	21049	29272	18844	16930	2015	5439	45635	15024	17679	16774	14075	12157	3953	8702	8919	65329	45073	0	23117	25896	48492	49288	43453	12380	5948	3325	0	7265	35990	0	4894	60532	Phytochemical	0.5263158	0.7368421	0.0
16	C19 H14 O10	403.06598	403.06644	-0.1375854	403.06592	43278	38620	43678	40543	90802	42552	12360	9429	95739	84500	51227	15239	146755	38582	23813	16809	9539	100790	98381	59409	56195	100343	36514	16696	15538	15644	13240	22003	7301	2260	8273	7622	24988	6108	107579	7083	22373	23629	11216	37756	42669	25688	1983	0	503	34257	58323	1173	10637	5169	54144	48736	55312	393	96933	79989	38820	19672	16516	13312	16620	36702	159030	83934	35328	113173	38884	8018	29388	26372	39042	6082	5851	3285	7346	5775	434	11071	60792	79890	36835	43036	8126	18420	105050	44341	41748	31856	33271	29177	16774	27723	0	113647	101406	604	51388	48079	76467	111452	102157	15376	9991	12020	39967	24778	71966	333	11841	150033	Phytochemical	0.5263158	0.7368421	0.0
12	C18 H14 O9 N2	403.0772	403.0778	-0.006083314	403.0772	6085	5576	7286	6952	13187	3320	0	1562	17139	13390	15636	1512	16071	2943	1715	2610	0	8764	12229	12137	20955	20724	6867	0	0	1846	0	0	0	0	0	0	4906	0	34655	1200	3223	1745	2620	14521	38861	2672	0	0	0	6842	20551	0	0	0	7903	9481	6217	0	15808	9878	5653	2044	0	0	0	13942	32446	14839	3832	18027	5937	0	0	3966	14538	0	0	0	1433	1071	0	2539	3766	0	4093	6353	0	4695	13945	4246	5283	5030	3793	9535	0	4308	4621	24590	17781	0	9799	6575	9338	15136	11291	0	1270	0	0	2479	10501	0	1742	24721	Phytochemical	0.5	0.7777778	0.11111111
16	C18 H14 O9 N2	403.0772	403.0777	-0.123248234	403.07715	14182	15788	15592	13858	23472	17250	8976	6110	28608	38670	26098	5394	35660	8394	9286	7680	14038	25108	20886	13150	31500	59306	15432	10592	7778	3586	10292	7474	0	3916	10174	0	16022	4034	38166	1399	16214	4859	19670	23256	62806	13052	0	0	0	18172	36836	0	6736	0	13394	16286	14152	0	26334	14228	15216	11150	7224	8092	0	21954	50640	25172	8802	39158	12022	15648	14146	4168	14756	5297	0	0	6002	0	0	0	17830	35004	12926	12918	2980	7270	32364	13836	16064	26858	11896	0	0	7514	0	72458	60080	0	29224	12954	10170	24518	25356	14144	4502	3696	24018	0	14466	0	9150	52682	Phytochemical	0.5	0.7777778	0.11111111
18	C18 H14 O9 N2	403.0772	403.0777	-0.031092238	403.07718	5056	2885	6382	5016	6997	4139	1353	0	4575	13918	8376	1842	11750	2717	0	4095	3594	5480	8269	2753	13168	21655	2373	3363	0	0	1467	0	0	0	0	0	4797	0	11590	0	4690	0	3246	13095	18822	3777	265	0	0	6615	11969	0	2403	1555	6430	4159	3360	0	10522	8898	3770	1397	2020	3519	2350	9016	22913	10164	3015	8169	4080	4258	2075	2333	3281	0	0	0	1717	0	0	1780	4810	13703	5594	10988	1189	5262	10000	3709	6685	6188	5353	8409	2763	3605	5603	25614	20759	0	4376	4351	4872	7019	10395	3449	1328	2218	6795	2880	3108	0	4798	15744	Phytochemical	0.5	0.7777778	0.11111111
14	C18 H14 O9 N2	403.0772	403.0777	-0.1271989	403.07715	6693	10357	8081	5476	14599	4830	2525	3043	15575	16253	14065	4146	28137	6156	1428	0	3549	12583	18609	7290	25497	24686	2196	5813	2891	0	1555	0	0	0	2258	0	6172	4086	18281	0	4935	2451	4782	20293	30118	6005	0	0	0	6905	29397	0	2446	0	6095	5009	10601	0	18735	13095	6823	2984	0	0	0	16932	33814	19547	5448	14816	7078	7658	0	7539	12145	2836	0	0	1912	4100	0	2858	7277	20943	5100	11614	0	6428	18089	6607	9518	5019	9193	9866	0	15860	12223	32974	25920	0	7348	9675	8266	18089	12812	0	2397	2422	0	6605	7283	0	2017	28139	Phytochemical	0.5	0.7777778	0.11111111
8	C16 H18 O12	403.0871	403.0877	0.007627282	403.0871	8466	10336	7152	10904	23790	10062	0	2892	27616	6194	6752	4334	55066	5946	4991	2938	7480	22274	23126	6390	9264	12310	6634	2698	0	469	3294	0	1265	2302	2410	3502	6786	2838	7683	0	4458	3512	3350	0	5970	11904	0	0	0	0	4130	0	0	4812	11378	9736	17994	0	34628	32456	14491	4466	3144	5258	0	0	57702	34622	15656	32990	11416	5608	0	0	0	1550	0	1690	4584	719	0	3620	7228	6518	5114	2096	1386	0	34870	0	5892	11702	9288	8614	0	0	4230	17554	6748	0	13198	10978	21198	58578	48610	6750	4532	0	0	3934	26720	0	2680	58324	Phytochemical	0.75	1.125	0.0
14	C20 H18 O9	403.10236	403.10287	-0.10724884	403.10233	169922	183826	169551	171099	173207	107047	78412	88315	192822	491347	303769	71735	220554	94959	83595	101905	68382	200792	200220	329918	333852	316841	103480	99006	64676	254077	69426	188324	66652	70301	70246	83632	105915	63657	565938	61975	93602	90643	68136	234457	272263	79809	6139	520	743	217778	290167	741	93567	79111	168341	156510	125926	393	202329	139407	85232	117042	111097	93370	103814	187339	267646	179550	77406	176726	93955	69531	347387	371119	421023	76043	72968	57487	62207	74201	535	63644	141656	214530	114292	201433	72159	148292	178096	110518	127883	89773	92385	110862	106919	116208	124231	263230	289351	1425	184187	154191	172395	169677	155266	81738	67697	113036	238743	94800	136709	658	73982	223371	Phytochemical	0.45	0.9	0.0
16	C20 H18 O9	403.10236	403.10284	-0.105223104	403.10233	209629	208687	195698	195248	227599	150362	71103	97464	257384	659818	328547	83532	321876	119431	100432	114038	56041	313080	307150	441218	401598	357233	127304	110076	85302	314369	63730	231979	62225	70256	98934	74223	114674	66018	777192	64912	120747	97414	75623	285312	248635	84606	5668	918	768	247663	308584	1533	97056	76512	200571	225584	164462	1614	255854	185987	109999	124619	105551	82071	114443	203959	378803	213195	95678	268085	133929	69832	339979	479085	479038	88695	74113	61927	58649	85743	1211	62487	181811	242210	126613	237532	75963	195588	245878	131793	145556	108638	120723	111969	115863	163057	138704	317388	425047	1947	216178	186264	221317	209212	219590	106114	74656	105384	206372	103015	197109	1374	86076	342651	Phytochemical	0.45	0.9	0.0
22	C20 H18 O9	403.10236	403.10278	-0.1615008	403.1023	56236	49586	49856	46966	74561	48980	13418	14397	79724	124847	50917	10553	112056	70242	27724	19206	9595	85425	68804	78771	85574	85298	33914	21122	23121	69327	13656	36208	14068	8586	10386	8817	17934	10661	114075	9560	20379	18985	14235	46389	40655	22727	5406	0	1180	66207	72706	0	13072	9901	53259	52254	51342	1385	79140	72459	32623	18670	18419	11958	19445	41903	125579	68128	122356	97285	35592	10807	66465	96467	85706	14493	8393	6219	4965	9084	1249	17149	48378	53903	39502	48470	13763	40048	95275	50871	37725	26190	31511	16183	29692	28276	22950	85827	110228	0	47089	54079	74681	89600	79824	18869	15660	23971	46632	20983	66893	0	19953	121594	Phytochemical	0.45	0.9	0.0
26	C20 H18 O9	403.10236	403.10272	-0.17746161	403.1023	13049	14811	15403	11374	20183	13791	1900	0	30700	33766	7034	3185	52173	28147	8336	0	0	43644	37132	23512	20830	28525	11168	5347	5866	13578	2518	4929	0	0	2486	0	4222	0	40835	0	6308	6221	3117	13039	13123	0	0	0	0	14676	20198	0	3717	0	15095	13267	18981	0	34460	27943	9467	5156	4356	0	7065	10878	41687	25670	12555	26854	7705	1914	18993	35032	30352	0	0	0	0	0	0	3531	18083	21019	15975	10848	3280	9162	35171	12766	12686	8152	8057	2484	7478	4847	5692	18907	51086	0	14890	16348	19802	25527	30235	0	3752	0	10842	4210	16236	0	5129	47472	Phytochemical	0.45	0.9	0.0
28	C20 H18 O9	403.10236	403.10275	-0.16331014	403.1023	11463	8522	10188	10807	15413	10416	3195	3134	14715	23147	7352	3140	29639	11759	7814	5275	0	22725	22735	15836	20500	17252	8924	5047	4316	13070	2675	5262	2869	2666	3650	1872	4880	1981	26239	0	6615	4183	4226	9161	9770	4268	0	0	0	9805	12516	0	3374	0	9472	10601	13520	0	17584	15554	6442	4727	3757	3369	6928	6579	22643	15699	6501	21829	6531	1415	17063	20943	20566	3493	2432	0	0	2421	0	2574	10715	11749	11280	8313	3378	6403	21895	9811	10512	6866	7453	3514	6400	8352	5435	14562	22838	0	12386	10729	10967	17662	19698	5668	3538	6444	6369	4045	12483	0	5456	26242	Phytochemical	0.45	0.9	0.0
24	C20 H18 O9	403.10236	403.10275	-0.113763005	403.10233	23532	18357	24086	20248	41337	24455	6268	4027	43623	60656	15776	6573	71436	17989	10600	9048	2914	47083	44567	36430	36255	47891	17911	10786	8365	29389	2977	11244	7518	2503	4486	6378	8537	3660	60085	1991	9958	8993	2994	27712	22968	6965	2543	0	0	22244	29750	0	3293	3308	21027	23931	23078	0	50662	45036	19096	7957	7549	4692	9178	17558	68207	45702	13962	48328	16035	4611	32556	50423	49555	3455	4047	0	2290	3532	0	6190	24929	29017	23391	23141	3931	20023	50787	21866	16877	9091	15075	7396	10576	12332	10417	47860	63934	0	24124	19881	38147	40371	51646	8003	6629	9912	22647	8003	32258	0	8367	72535	Phytochemical	0.45	0.9	0.0
8	C20 H18 O9	403.10236	403.10294	-0.16745724	403.1023	23045	23050	15361	22687	18092	8938	8344	10655	20232	52829	39103	12517	22632	8197	9990	14814	11258	16706	22412	33428	41438	27761	14089	15444	3263	20546	10020	16874	10650	12222	9067	9851	11343	7291	55665	7329	10966	9860	19729	23517	32872	9851	0	0	0	21656	38908	0	10413	12293	20320	19113	10843	0	21354	17247	10275	13381	10165	17986	10562	16186	24771	21707	10414	16008	12166	14598	35778	34525	64390	10158	10769	6789	10364	10348	0	8686	20856	16541	15913	16738	7807	10073	23636	10848	18378	11603	12199	20503	0	7672	15237	25592	25882	0	17739	18745	21216	27403	18639	13156	10386	13427	10086	12244	18008	0	8139	22664	Phytochemical	0.45	0.9	0.0
20	C20 H18 O9	403.10236	403.10278	-0.14486068	403.1023	104779	106311	101626	93626	144984	107783	32195	39802	168153	283831	118907	30247	243158	92823	58236	40539	23191	197406	158659	188514	193865	179562	65085	50670	49476	164537	31625	93984	36558	23645	32888	29941	51472	29876	291110	30165	71054	46592	23756	139790	97199	46746	6188	1718	979	134722	150397	2591	32926	22312	98357	106740	99647	1570	164104	129858	61098	53166	48787	27338	39192	96011	243157	144765	64898	167765	77906	31790	162281	214214	202859	31928	27930	18836	25295	29432	1339	37511	105567	111080	73401	112512	37965	108832	165774	93998	72480	52620	67158	41458	68541	82691	75345	154887	183037	2367	109229	98383	116715	135486	144988	46775	30493	54801	99680	46370	120644	1453	45042	231199	Phytochemical	0.45	0.9	0.0
10	C20 H18 O9	403.10236	403.1029	-0.132622	403.1023	58109	56924	43917	47174	45843	26328	23125	29760	51486	141162	89562	27125	57942	28919	25733	45096	32143	52784	59103	89827	108398	75975	32981	35547	13943	71555	26858	48349	22363	26249	25219	27600	36395	22257	155865	18125	27983	26528	36632	71962	82360	24210	1521	0	315	58838	99291	529	23889	27632	53200	51446	27705	0	52037	37066	27021	33582	23597	37767	31281	45992	62878	45229	26359	43444	30145	42253	112425	101416	135304	24819	22393	19229	23050	25000	0	21802	48949	50369	41924	51587	23245	34287	57007	26807	43103	26187	25270	43155	24892	31069	48240	73634	74202	476	46641	48002	51694	52132	44708	30460	23905	35653	53616	28389	42333	0	23464	59150	Phytochemical	0.45	0.9	0.0
6	C14 H18 O10 N4	403.10956	403.1105	0.2301591	403.10965	0	0	0	602	0	0	0	0	0	0	0	0	0	0	941	1227	1115	717	0	0	1025	0	1121	1638	0	0	0	0	0	1232	0	1632	1017	0	0	682	1752	0	0	0	0	0	0	0	0	0	0	0	0	803	0	1026	0	0	0	0	0	1138	0	1213	0	0	0	0	0	0	0	1805	0	0	0	1307	1147	1016	22256	609	0	825	621	0	0	0	750	0	0	0	0	0	0	1485	0	0	2344	0	0	0	666	975	0	0	0	906	0	0	0	834	0	0	792	785	Peptide	0.71428573	1.2857143	0.2857143
10	C19 H18 O8 N2	403.1136	403.1141	-0.14029776	403.11353	60738	52871	44007	43051	43708	25530	18640	29566	45043	134221	74972	20134	62416	19427	19601	30175	26326	46016	59140	94470	124556	111228	29168	31632	15105	61261	21455	44315	20901	18145	19731	23734	36222	17610	162675	18233	33191	19322	32091	104754	143799	19139	0	0	0	91516	162491	0	25587	18804	49795	47490	28412	0	54352	34069	18444	32698	23213	31417	37396	76586	76526	50056	15756	51738	24462	30962	98872	98242	151702	20575	17120	16409	18159	18173	0	16288	38219	65004	25036	75877	16869	47546	49871	24846	31148	26605	24632	45436	31793	39048	53227	99379	107318	0	43902	46680	38176	49221	40912	29250	16381	37342	62608	32338	33435	0	21812	71084	Phytochemical	0.42105263	0.94736844	0.10526316
16	C19 H18 O8 N2	403.1136	403.11407	-0.15021835	403.11353	53126	49326	48848	49596	40698	29034	22071	21302	89078	116491	60546	17966	56122	21902	22243	33632	24689	50391	56756	84132	98470	119377	31359	42664	24300	42080	22229	40097	23314	17691	21045	22862	38196	19115	145344	15212	40223	19081	27144	99558	101446	26630	1050	0	0	72370	99368	0	27695	15392	42894	45894	41481	320	105330	36407	24907	39692	24502	23611	28046	71528	76284	37602	19986	90680	31019	35149	60326	78496	97508	21970	14049	10367	18521	13550	0	17598	36694	75784	31252	63935	23765	64340	50108	25491	42880	29728	27611	53289	43818	61934	72836	84233	119054	0	44037	51233	34428	41304	40261	31608	18428	28475	49457	39905	40437	0	30294	68704	Phytochemical	0.42105263	0.94736844	0.10526316
6	C19 H18 O8 N2	403.1136	403.1142	-0.19343638	403.11353	14923	12041	11255	11784	13149	7485	4050	7523	18708	35259	23809	5776	20591	3755	5512	7845	6276	16032	16637	22525	43103	27911	6344	10989	1997	9187	2454	9968	2911	5462	5933	5516	10941	4798	46158	5724	9841	5895	10611	19302	42515	5983	0	0	0	17550	34741	0	8226	5780	14320	12846	8185	0	18291	12079	5949	7872	4482	8241	6195	12846	31071	16552	4935	16274	8364	10057	23261	21465	44480	4633	4200	4013	0	4587	0	3831	8175	12228	5385	12559	4519	9289	15842	9279	7981	7490	7516	16736	4622	9136	14354	26516	25910	0	13030	15043	10635	18046	13715	8912	4804	8497	15593	7588	12527	0	5827	25426	Phytochemical	0.42105263	0.94736844	0.10526316
8	C19 H18 O8 N2	403.1136	403.11417	-0.1376725	403.11353	33469	34310	25169	34773	53442	16067	9280	15238	33773	83085	56282	14016	47204	12106	12564	21277	17152	30526	66834	57950	89321	67538	17199	22614	8525	24982	8613	26199	10770	10774	12062	14940	24122	12219	112200	13895	20271	11381	22945	64289	94339	13251	0	0	0	58386	91574	0	17570	12999	31533	31782	20494	0	36034	26888	15225	21528	17198	19461	18968	48563	57108	32515	12538	34486	18363	25228	59250	56999	110825	13683	11213	7671	10238	12545	0	10841	20881	38450	16952	36710	10004	25693	33693	11104	22005	18028	16419	29240	11483	28438	37551	68055	84700	0	33030	30895	24378	36494	27984	18635	14063	19454	29483	20218	21517	0	13456	47065	Phytochemical	0.42105263	0.94736844	0.10526316
14	C19 H18 O8 N2	403.1136	403.11407	-0.13855295	403.11353	64575	129064	61713	63460	53732	37770	29007	31457	63981	141000	88904	24465	82560	24673	67508	38533	43175	57287	65324	102979	130151	179536	38111	52628	35679	62448	28425	58229	25072	20900	22400	30098	100794	22801	191151	23988	51474	27324	47596	119469	140613	27678	0	0	0	96257	127367	0	32003	26097	65773	57380	47434	0	72060	48688	27791	44073	39725	39527	40948	102837	96583	60002	25721	63843	72722	38931	102830	132700	136232	23318	17676	14804	25327	23673	0	26083	52903	131552	37405	76969	27371	65122	59145	35154	49212	37209	34018	77780	63167	63075	79802	146672	166561	0	57662	121354	36963	110728	102432	42638	20175	42314	88581	43957	44151	0	30362	92418	Phytochemical	0.42105263	0.94736844	0.10526316
20	C19 H18 O8 N2	403.1136	403.11398	-0.17029558	403.11353	19035	16492	16817	14563	18345	11604	8591	7131	19639	41262	27504	6970	15328	13303	9518	6529	8087	14284	23952	16170	28793	36022	10151	12637	8864	30319	6217	15109	9140	4898	6248	5915	17630	8719	40371	3193	20385	8198	10368	31429	34878	7859	1104	0	0	20825	30961	0	9028	3328	15482	12495	19100	0	17925	12751	7138	11194	6476	8043	10142	16619	19996	15868	11585	21153	10925	10305	35745	38082	41587	12258	2547	0	3526	4742	0	4656	16022	33722	8066	19124	9391	9875	20548	11429	18343	13394	14386	21205	15964	20168	17533	35624	33595	0	16607	18092	11272	22175	18724	13614	6692	12742	17534	10617	12585	0	14433	30275	Phytochemical	0.42105263	0.94736844	0.10526316
24	C24 H18 O6	403.1176	403.11798	-0.1831808	403.11755	2642	1849	2250	2988	1847	0	0	0	2803	5550	11367	0	0	1320	0	2010	0	1411	0	3656	4653	4385	1264	1491	0	16110	0	6496	0	0	0	0	0	0	6942	0	0	0	1050	3159	9366	0	0	0	0	1906	4151	0	0	0	1968	1057	1067	0	1378	0	850	1263	0	1403	0	1913	1826	1866	2144	2329	2070	0	21909	7430	15715	0	0	0	0	0	0	0	2251	3597	0	3631	1318	6096	2279	0	0	0	0	0	0	1661	0	4700	2069	0	1040	2194	3777	2239	2356	0	0	0	3680	0	1317	0	908	1165	Phytochemical	0.25	0.75	0.0
14	C17 H22 O11	403.12347	403.12402	-0.08460931	403.12344	98550	75656	65928	86547	89616	98420	39738	73208	197641	129711	62358	43880	272310	49788	73392	42006	28554	213972	153118	134686	163016	130512	76916	64946	37615	24489	36150	31376	67178	51777	68177	63264	104756	45188	234019	64696	89515	62754	41573	73359	60132	67614	0	0	0	63861	47852	0	62201	55418	66250	80880	83704	0	380315	101268	49566	56026	94814	22242	70000	98806	249568	246328	49394	130875	88024	21904	25690	29810	67047	65428	64846	58164	43018	47924	0	70566	60959	52126	51559	50631	30678	36101	95148	57728	35306	58466	75728	32319	51168	84148	82581	90517	103228	0	74224	97580	90350	69337	69280	99454	65438	75702	47234	48016	82204	0	31124	238598	Phytochemical	0.64705884	1.2941177	0.0
16	C17 H22 O11	403.12347	403.12402	-0.04951174	403.12347	27212	23040	27433	21887	29854	32211	9667	21488	61648	40258	17968	17223	87850	14986	29963	16702	8825	66650	61031	35254	35983	39168	32681	18361	13396	1639	5806	0	21776	17191	21960	17389	35075	13708	59106	20035	29284	21326	11010	27304	9554	20998	406	0	0	22654	10038	0	19876	19123	26844	29156	30697	0	114416	25715	14964	17852	31184	9261	15855	32993	71665	67461	12614	39615	28931	7425	0	13300	0	20260	21305	18766	10963	19185	0	20765	18894	18409	12641	18721	7594	0	22786	17164	15335	14722	22404	0	13719	29265	0	21147	19746	0	26714	32388	24195	21030	16967	19186	15751	13522	12419	21989	21749	0	8773	79464	Phytochemical	0.64705884	1.2941177	0.0
14	C23 H23 O3 S1 Na1	403.13385	403.1342	0.37581423	403.134	13750	15214	8378	10868	12912	14616	0	11572	12812	31811	9324	12198	18324	1756	2773	15162	27490	24954	18272	22830	33800	19232	17362	20606	14554	20956	14608	0	12364	12396	13232	0	22923	21356	38032	21852	16867	22310	13170	4744	7187	12890	0	0	0	10468	5105	0	8734	14578	7540	0	10544	0	32734	12016	8778	13202	13998	0	0	22514	18342	18500	0	28616	34404	11694	0	38116	16266	16177	13624	14008	57756	10770	0	18030	19544	0	9740	20937	9015	11315	35242	9936	11932	12530	13818	0	14455	19393	34048	13469	19140	0	19153	17590	21620	24324	7642	20652	12132	0	0	18080	0	0	9767	22240	Organosulfur	0.13043478	1.0	0.0
2	C16 H22 O10 N2	403.13474	403.13544	-0.04206141	403.1347	7964	11214	4542	8094	13938	0	3141	11658	10885	3539	0	11217	23220	5396	7848	1689	8138	17521	15667	2361	8412	16667	8747	8966	1767	0	0	4994	14260	5509	11349	8763	19774	10242	6496	8936	11822	5163	9170	5055	2553	0	901	667	1394	4058	3116	987	7487	6036	11844	11936	15009	714	15008	8097	5613	11364	2909	3522	5174	1937	27885	16570	0	19544	17569	10789	1152	597	712	11725	9919	5667	0	8398	843	6289	5951	0	5632	2732	630	0	8986	4244	6474	16650	12850	9813	0	12708	18468	2742	0	2403	12207	7194	3292	11743	8842	12957	6169	6206	2941	15988	4572	905	3382	31863	Unclassified	0.625	1.375	0.125
16	C25 H22 O3 S1	403.13623	403.1365	-0.45233437	403.13605	17301	13668	17404	13322	4157	6329	8706	14946	12036	21412	5212	15985	13688	5179	8776	5839	9502	5416	0	15700	26121	12938	23696	19552	7292	16976	14926	0	27534	8974	5406	0	8639	11821	25189	19742	14904	9089	13166	35194	25252	7412	1943	711	0	21872	16050	0	15661	18970	7110	21173	7188	550	18951	3821	3506	13053	6146	10342	0	27368	8997	9295	6602	6792	13492	15003	9271	25314	22836	11248	20108	7010	38842	7719	0	9596	24639	8664	7080	9168	12854	18514	7752	7836	14432	22560	13021	0	20419	14961	0	12940	9252	1116	14416	2996	4973	4712	6382	11906	5891	9040	0	0	9845	0	13475	16398	Organosulfur	0.12	0.88	0.0
14	C21 H22 O8	403.13873	403.13925	-0.11230628	403.1387	433716	432011	411511	416168	296069	208391	259931	372820	341355	874887	574127	250971	342666	194896	264215	347733	262075	317787	350542	1633128	1569330	514977	298320	388141	233308	1968218	229401	477909	272241	312358	312555	381192	339425	287322	1861966	301596	309701	260843	295779	1176862	626020	187330	10343	1823	1657	458707	524945	2269	347806	320576	410797	398379	236625	2309	349330	220264	190545	377065	364812	325661	444455	381987	380346	308459	162984	301993	218154	293127	895320	2390460	2492786	320732	308050	310682	237873	323267	1752	240447	375164	326838	341405	386205	278930	894060	353137	190332	321358	211804	234930	377564	314984	295938	379360	332978	848746	3992	420392	385225	296335	288493	275859	287202	244849	409123	385016	290039	252055	1717	263253	365296	Phytochemical	0.3809524	1.0476191	0.0
26	C21 H22 O8	403.13873	403.13916	-0.2017517	403.13867	32604	28943	29830	29025	44803	24519	8623	17446	54302	75787	32711	13375	70289	26654	24451	19917	11471	57918	54507	71316	75178	48026	23678	24312	13405	60454	9533	27166	13738	12437	12515	12078	17929	13894	91033	12935	19715	14826	13443	39866	39059	14094	0	0	0	28134	32671	0	17437	17515	31856	30517	30494	0	50942	44204	18921	16502	15591	11481	21056	27090	68462	42807	12841	51633	21814	11265	71764	116348	111849	16137	12942	9935	12259	15557	0	11634	29591	27233	28818	23420	14564	27815	64335	18098	28851	19753	17122	11632	21061	21894	24479	30876	56886	0	33789	36486	32242	49044	45910	18424	11521	18793	23271	16696	31967	0	17092	69273	Phytochemical	0.3809524	1.0476191	0.0
12	C21 H22 O8	403.13873	403.13928	-0.12697273	403.1387	226131	230210	228768	229299	117487	94817	164145	196813	144716	746218	272495	131997	119460	70967	128585	213529	172705	146238	185318	845394	705262	259039	153857	228026	111803	796356	151854	212236	147380	164156	168243	197605	187487	156334	866300	159682	155230	137399	191113	549028	353651	92486	5832	1216	1788	245085	316205	2055	204205	199103	224042	237288	113882	1381	150550	113930	91405	204932	195291	202781	219338	189061	172652	125514	71066	147113	102931	196983	479742	1022222	1197586	167652	172884	177692	150698	178508	1036	129922	183407	185514	180005	368704	146626	384092	155614	85881	171845	89517	107036	250558	157345	168212	190689	180308	418252	3192	237796	239860	164436	110995	123017	191454	118439	217701	195997	150809	117162	1635	149810	166882	Phytochemical	0.3809524	1.0476191	0.0
24	C21 H22 O8	403.13873	403.1391	-0.17227969	403.13867	69947	60739	63749	67109	97125	61719	20377	40329	95475	157582	66584	26275	155873	50058	40501	40470	24363	104414	101429	124908	128309	83460	58859	48980	33831	139154	19427	60994	27537	27258	30297	27946	33415	27540	175485	31031	42422	28978	28596	84589	73383	28551	6948	2756	0	80900	79189	3967	37333	28485	59113	63372	61658	0	97213	86842	36933	39409	29811	19999	40446	57532	125854	74636	28709	105886	48994	24381	139514	215578	206838	31265	30495	21962	19787	28968	5092	24985	68150	48424	53647	57173	26774	62294	107932	55145	54232	32707	41460	26722	43757	42320	48383	62434	92019	3968	67416	69199	65462	87008	95927	33934	22792	36498	52914	32220	67624	3832	31466	133349	Phytochemical	0.3809524	1.0476191	0.0
22	C21 H22 O8	403.13873	403.13916	-0.13837005	403.1387	171282	182226	149765	166645	212571	157471	59250	109288	215688	463297	206902	69216	243270	134961	103479	95524	63880	262871	207488	375958	368840	214083	131012	128925	105790	380197	52294	186944	86981	77083	81973	91983	116342	89106	475673	80392	133635	84230	65722	246858	196182	82783	8992	0	3002	211292	202230	4608	102876	81568	173544	173917	149433	3501	223036	192055	99161	117079	92859	57981	104369	181551	280759	186258	79190	239477	114165	69859	335766	602509	506918	95347	74219	73600	47039	73946	3325	79360	157849	118684	141162	149688	68650	159914	232771	133080	144944	86667	105581	95569	128017	150547	131851	155639	241094	4191	154717	161324	170245	202999	176414	96067	74909	112512	147660	110163	155622	3639	85747	309660	Phytochemical	0.3809524	1.0476191	0.0
20	C21 H22 O8	403.13873	403.1392	-0.1027422	403.1387	399859	404190	420118	342816	397837	315213	144936	260363	430943	1108549	490766	160649	631932	276876	242862	248278	132219	534049	500572	963073	927369	501708	272736	271027	238482	948449	133168	434743	231021	184395	209925	211525	279764	218696	1217127	190712	312076	195007	159947	642318	459627	203758	15811	3913	2906	457348	439302	5915	225150	205620	390017	403917	293028	3424	441916	340015	204650	269347	235655	145660	255762	425205	592654	380557	180022	454505	256490	160298	764493	1375517	1147307	248056	202072	180669	133542	198538	2806	189456	324787	275062	266071	302960	175528	443428	439828	236994	280684	205188	233946	194574	312656	330707	324224	345061	447222	7631	411104	407780	360490	367047	342841	226483	175605	270861	316759	235528	317883	5770	203715	636603	Phytochemical	0.3809524	1.0476191	0.0
16	C21 H22 O8	403.13873	403.13922	-0.09182757	403.1387	573309	611505	571321	591641	499746	336471	292799	455531	529652	2804880	775240	312657	581558	287097	384794	444788	307884	566200	617272	1296818	1234545	606684	455607	478341	334246	1445840	268674	595690	363712	392265	413851	437024	483520	347064	3022484	380618	438077	355075	334547	1779348	1437762	268626	12258	3293	3723	638153	684765	4221	476257	417411	599927	582490	367997	3314	501506	386812	272040	467493	394102	323243	457064	554188	657821	421336	226000	511574	328070	297707	1182950	3819384	3720814	446570	425765	380529	283570	415771	2397	313002	520303	404629	424758	558076	367328	671213	543567	293133	438196	287470	329695	451255	400398	444510	538006	474223	668871	6308	565471	562323	432339	405634	417679	401120	290412	441801	383633	425615	417383	2867	370325	661706	Phytochemical	0.3809524	1.0476191	0.0
10	C21 H22 O8	403.13873	403.13928	-0.15939428	403.13867	94967	81294	79731	78494	45647	36887	56597	86111	58272	270718	86288	62163	55603	40331	54171	88518	70536	49548	61715	283956	281794	187018	62698	89946	45704	307620	67541	75622	67690	76776	69909	76429	72571	59555	302714	74201	65588	60256	78583	218504	232660	34468	3241	1296	1802	100222	117540	1773	76391	78020	88569	85242	40509	1405	62207	40503	29650	83623	64522	89246	111314	73804	64120	49133	34101	54962	39621	85775	147100	344060	409672	67008	69232	65253	66899	77958	1165	55372	94895	56670	77792	157934	64467	71683	63507	37930	73302	35975	39963	80593	65713	64538	80933	124412	191218	2533	85764	91419	50435	53031	49912	73781	55450	84487	59095	67243	46983	876	58396	59522	Phytochemical	0.3809524	1.0476191	0.0
8	C21 H22 O8	403.13873	403.1393	-0.18495621	403.13867	31467	33351	23065	30907	15268	11676	17960	31953	17866	92228	33799	22597	15197	9801	19831	29072	26384	15248	23039	99320	100662	38372	24446	32214	16006	73722	20602	21884	22710	26747	22769	27546	24231	21075	52523	28383	25968	21070	31143	37865	81124	14039	1766	633	827	39265	47352	1057	31351	27743	27683	33474	12586	829	21561	15808	13074	28719	25928	35343	36536	25147	23495	17414	10856	13941	11005	34125	48535	48429	150160	29408	23203	24455	18630	29485	1004	18556	31435	13940	26577	47596	23842	30324	21129	10700	20694	12475	16284	31893	14008	20465	29491	23842	59452	1297	27913	32651	21174	18979	21502	25597	21044	35192	18329	24299	14921	692	20920	15892	Phytochemical	0.3809524	1.0476191	0.0
28	C21 H22 O8	403.13873	403.13913	-0.17467168	403.13867	19666	18219	18377	18582	24957	12702	6893	13708	25052	44910	16978	6825	41363	14461	9383	12501	8486	34572	26667	36173	41534	22688	18398	14021	10666	34090	5996	18374	7050	8821	8673	8063	12509	7815	47831	9418	10773	7745	9046	19802	21210	11822	1776	0	0	20911	19018	2130	10753	8816	18090	16536	18552	0	27785	24828	10519	13366	8200	6967	16198	13799	38133	19042	9537	30197	16084	8543	41862	65451	61867	6949	8043	6952	5795	6905	0	7691	19769	16807	17767	12478	8697	16131	32524	16133	16766	11019	9579	8515	12698	15188	15396	16343	26488	1468	18023	17726	18612	26575	30970	12020	6842	14315	13279	9243	16934	1788	8782	36709	Phytochemical	0.3809524	1.0476191	0.0
6	C21 H22 O8	403.13873	403.13934	-0.19325492	403.13867	8755	9692	6949	8224	3706	4152	5572	10249	5247	11326	9012	4887	4530	3547	6646	9117	6229	4886	6182	10903	34026	10799	8457	6057	5046	10013	6498	5710	6030	8956	8101	10310	8390	6517	29066	9128	6716	7283	12565	8331	23038	4898	773	707	1223	9703	12944	1040	7892	9339	7333	9772	4912	701	5380	4397	4384	7608	7199	8513	8775	5433	4829	5826	2592	4973	4163	10760	12595	10231	18576	6285	7740	6579	4702	8081	921	5729	9267	5450	7399	7894	7387	5541	6370	4291	6695	4521	4756	9720	4579	4531	6340	6792	7567	1142	8453	7448	5110	6006	4043	9365	8423	9628	0	5586	3929	671	5805	6428	Phytochemical	0.3809524	1.0476191	0.0
8	C15 H22 O9 N4	403.14597	403.14664	0.23602848	403.14606	4572	3633	0	4062	0	5928	2679	7197	868	7449	0	3660	0	0	2646	0	4053	2727	0	0	0	4665	4116	4962	5910	0	4179	0	6705	5085	3648	1888	12885	8433	3504	4002	5574	4692	5184	0	0	3462	0	0	0	0	0	0	4932	4467	0	0	3438	0	0	0	0	8043	0	0	0	0	3459	2583	0	3486	0	6321	0	0	0	4080	5196	4776	31980	5148	0	2787	2526	0	0	2061	0	0	0	0	3867	2088	4413	9615	0	0	10872	0	0	0	5778	0	0	1884	0	0	0	0	0	5412	0	0	4464	3129	Peptide	0.6	1.4666667	0.26666668
4	C20 H22 O7 N2	403.14996	403.15063	-0.19664264	403.1499	11576	12756	9958	9795	9188	7645	4051	9811	10974	25375	15677	6640	13589	6398	7280	10940	12049	11533	13272	20475	37187	23682	9687	12444	5434	19268	7012	11776	4929	6740	8387	7460	11667	6309	31649	6345	10312	6433	14294	18758	30640	6994	0	0	0	13735	25965	0	9392	7723	12262	10291	7766	0	13665	10293	5535	8250	5603	11225	11978	16169	14003	11007	5859	10650	6836	12850	24627	23387	35965	6598	6076	7557	3902	5325	0	5724	11093	14206	7744	10855	6146	10742	12001	6659	10091	7043	7002	17910	9256	11047	18096	16718	22214	0	13817	15744	8676	12200	11108	9917	5678	13931	12596	9762	8585	0	7016	14278	Phytochemical	0.35	1.1	0.1
20	C20 H22 O7 N2	403.14996	403.1504	-0.19561319	403.1499	30183	37059	21875	24891	26111	23994	16824	24601	25808	69668	40032	19376	26281	20561	19424	30221	36067	29068	34038	47881	58381	52253	20685	38030	27685	64375	25296	39670	33274	15584	24336	24289	36415	26833	59534	22438	35179	21280	30941	51262	60668	23027	884	0	0	43467	38179	0	26863	18205	31201	32393	33488	0	24857	17412	20084	30812	23045	19447	32632	35897	19186	24380	12196	28745	26612	32700	59512	64177	77168	19592	22229	22655	18594	16020	0	18759	27825	33429	27983	27271	24710	30180	23546	22134	39916	38084	19654	42910	53857	45135	55408	35042	44354	0	35886	31211	17432	21062	18128	33965	16528	23158	26424	41589	19124	0	36288	26372	Phytochemical	0.35	1.1	0.1
8	C20 H22 O7 N2	403.14996	403.15054	-0.2066892	403.1499	87364	89968	74569	80398	48549	36546	40155	60574	48013	186441	96554	42527	69171	24516	41324	73129	57008	49799	70903	184601	200491	157856	51867	74615	37839	92166	36232	80578	51324	54488	53256	62334	67702	47041	220168	53523	78092	40172	61637	157091	171448	34036	820	0	0	123863	138342	0	66119	58366	76437	88138	39703	0	58401	42619	25538	68334	37130	56011	68661	99957	68986	55826	26750	54682	44304	69743	119610	189104	208886	59041	53385	43003	37663	52372	0	37175	61867	84624	46582	64133	48770	94158	40160	24575	58382	42710	45239	96402	70755	91169	108649	107155	157937	0	83953	87183	42709	47076	45706	62278	36401	89625	51981	61811	35078	0	49578	65445	Phytochemical	0.35	1.1	0.1
22	C20 H22 O7 N2	403.14996	403.15042	-0.1179979	403.14993	30657	32975	29451	36200	23311	16303	18546	16151	25585	43522	58007	16166	26719	20992	18102	32264	19094	25781	28431	35329	28175	43425	30048	29852	29343	51981	22584	38580	14199	17583	25993	5024	26546	26589	57978	28455	32180	11673	22746	61568	48435	21359	0	0	0	42777	40184	0	32100	20777	36450	22301	25726	816	23290	10841	18519	26780	14578	19325	19719	30346	31919	19212	11862	25048	25426	23888	59223	53457	69897	28629	19212	16568	10676	9967	0	12925	30887	34054	19457	18909	13299	29691	19530	14538	31915	31915	21084	37111	47156	36366	47582	32857	56387	0	35245	23560	18524	20705	11379	25525	16380	30885	17886	42186	26129	0	26241	25932	Phytochemical	0.35	1.1	0.1
6	C20 H22 O7 N2	403.14996	403.15057	-0.1735882	403.1499	45996	44188	41274	44228	24210	20007	19677	38604	34082	113261	57555	24078	41289	15424	25948	37331	32760	34500	43835	88665	128402	74555	27273	44319	19553	49570	22071	45351	30780	31621	30565	35095	44708	31298	123491	28176	41499	23604	39404	70889	94986	19584	0	0	0	69895	83905	0	41950	30158	51335	48096	26328	0	38362	26926	15186	39455	23593	32516	39004	53377	44755	33065	14463	33894	28012	43327	66387	93922	129435	30362	29288	22196	17759	27884	0	20650	32085	47509	24670	33934	23047	46349	26707	18451	31015	23541	24286	50782	37788	47055	62967	59939	88225	0	47340	40640	19611	26722	29685	35173	21661	47188	38226	30831	22797	0	22171	41604	Phytochemical	0.35	1.1	0.1
24	C25 H22 O5	403.154	403.15445	-0.094285004	403.15396	3800	5174	4980	5762	4714	2493	0	2738	3908	7465	18493	1316	3167	2857	3144	2019	2581	3579	4066	8434	9348	2780	2745	3105	3122	42061	1538	13945	2143	1903	1077	1161	2318	0	8355	2232	0	2188	2940	4531	12722	1537	0	0	0	5410	6871	0	0	0	5725	4059	4392	0	3180	3531	2142	2076	1789	3063	1688	6836	2973	4929	4030	3324	8641	5541	38503	23602	45786	1620	1417	1964	0	1809	0	2938	6169	3952	3181	4574	1856	10457	5021	0	3034	3211	3775	4477	0	3120	4687	8107	6519	0	4652	4023	4133	3061	3852	1256	0	3153	3264	2088	5045	0	1204	2678	Phytochemical	0.2	0.88	0.0
14	C18 H26 O10	403.15988	403.16034	-0.20465724	403.1598	34641	28775	31218	31141	23907	29146	27372	45722	42221	49486	18997	21741	48872	20393	44250	31700	18045	49909	43733	52153	47259	41640	34014	41147	33989	8062	17955	17068	49829	36616	34669	42035	54254	35613	82218	51647	47219	30328	17219	32510	0	26707	0	0	0	27757	12343	0	40668	36974	33432	32490	34631	0	88120	28263	19028	37714	68547	11971	39350	26939	51012	48310	17859	35434	30888	17730	0	13850	0	38855	39405	42960	22921	32864	0	33048	30389	0	26988	14982	22910	16505	23601	23566	23072	18564	26113	16925	26071	31588	41433	18385	29296	0	37775	33105	21521	24926	23381	50825	23691	43023	0	33044	24105	0	19117	44832	Lipid	0.5555556	1.4444444	0.0
16	C18 H26 O10	403.15988	403.16034	-0.16875431	403.15982	48524	55180	63768	37477	41705	50627	32023	59962	79837	102177	42050	21437	93677	31163	52726	33706	18220	73048	90200	111914	75801	76159	43029	42884	48182	49603	15373	36002	65570	42816	56249	45934	82426	43458	161259	52450	76064	39597	16124	81360	38579	35020	2368	2647	1283	36257	23552	2017	52080	31744	55865	58644	42845	1327	155817	46181	31741	43227	62158	8141	34180	46390	75543	79624	25665	55057	37878	20794	40561	83313	67635	53636	50251	61461	22996	46596	932	43056	31083	30550	23454	25436	37754	36843	31219	31667	32096	24641	36230	0	48752	71642	39620	43341	51679	1556	39071	49363	29791	25876	31918	52588	27545	65398	10632	38090	37804	1450	26974	85509	Lipid	0.5555556	1.4444444	0.0
10	C18 H26 O10	403.15988	403.16052	0.04757849	403.15988	56181	49062	45246	86875	25524	24884	72198	149130	76974	55652	34935	74772	37224	3440	48483	151626	46265	63034	91332	63394	53028	8016	88854	101145	34827	29431	30363	8086	71651	147282	130140	119712	69646	92124	114865	66369	57567	90006	43218	10409	41318	26610	0	0	0	35940	43733	0	140946	103368	41133	79870	31028	0	57300	27646	18444	117018	61569	29502	62061	26564	65724	73942	19086	25047	25158	44826	20538	27673	47117	124397	140955	73713	44955	65297	0	83646	51980	0	41436	26460	33003	24499	26685	58130	69958	38871	28149	65991	38920	35868	69237	4819	9998	0	33045	44121	22206	24503	21000	110712	68418	41265	0	75303	20216	0	36440	40266	Lipid	0.5555556	1.4444444	0.0
14	C17 H26 O9 N2	403.1711	403.1717	0.19254357	403.17117	7752	14461	7221	3669	5616	4290	9483	17721	10841	4166	4037	5077	8845	2603	16030	9737	0	13180	11437	13514	9094	0	14295	11380	11408	6670	8687	0	9821	10934	11693	11714	17594	9639	6564	13668	20139	9016	8565	3845	0	7491	0	0	0	7046	0	0	17018	7495	3762	6525	5776	0	11075	3946	3611	14191	9108	0	0	3613	5177	0	2522	8100	6301	10875	0	8256	5506	10213	8649	11856	24274	10419	0	12130	14169	0	7239	2760	12477	3745	1218	5925	5695	5928	6793	9274	22266	16429	28044	0	5713	0	8466	8954	4110	2326	2741	10292	6875	7345	0	10344	4857	0	5015	9478	Lipid	0.5294118	1.5294118	0.11764706
8	C17 H26 O9 N2	403.1711	403.17166	-0.2158894	403.17102	29750	38171	29142	33504	12958	20442	25350	47962	19942	15396	14318	20942	27470	8720	35202	85229	32060	27904	38500	22567	21519	35494	50710	507358	24620	5338	20491	7902	33146	26476	31990	32782	44855	40979	25441	35028	51274	27498	41031	17839	29848	22515	0	0	0	87308	19629	0	45456	35208	32236	32673	18550	0	37980	15420	15334	67486	31377	11750	64470	7794	29802	29118	18768	20606	24875	40324	0	6142	4917	34580	32699	26094	24278	27308	0	29527	36410	0	23943	10328	16339	6286	16786	13238	39656	23677	28254	39394	34228	41878	62982	9272	7429	0	32740	33182	10236	12930	17586	38564	22920	27228	0	48824	14640	0	25715	33016	Lipid	0.5294118	1.5294118	0.11764706
22	C22 H26 O7	403.17514	403.17554	-0.11991149	403.17508	719081	709228	560786	663826	606210	522475	267918	568235	650895	1503608	740963	311430	711510	423547	470102	498105	282212	802996	705142	1554551	1430828	736289	508717	637800	454914	1481821	264508	698386	550969	432762	469067	490270	583651	494717	1503076	503341	707032	380926	335056	909234	628908	357031	28173	6710	5664	675025	501184	7690	504379	465653	661888	649924	475784	6895	687024	525435	322263	573631	480447	271878	542433	603842	774518	533665	249761	695783	446406	329213	1281140	2259122	1830740	556717	421805	460142	265326	444518	4036	398727	578440	331210	494117	415851	366901	523489	606873	366430	519964	355373	414270	435853	628215	677455	713644	462320	692737	11904	592210	660747	492783	527153	474403	558131	331166	574965	401774	539639	469191	6638	375822	860505	Phytochemical	0.3181818	1.1818181	0.0
16	C22 H26 O7	403.17514	403.1756	-0.12928838	403.17508	768533	839030	785503	828662	638216	481549	557274	820744	648201	1180287	800954	567729	692052	399535	642076	868574	689950	623555	852191	1472245	1437809	722363	731531	872557	558503	1868728	526476	698882	665201	718832	722346	784903	804859	578165	1240000	719486	727231	587298	796224	1821146	991330	447550	17274	4673	3700	690487	713881	4729	834128	784565	835099	821328	560676	5688	637236	573339	431600	863880	582021	652119	792455	579225	762784	580972	337619	648169	484320	688879	1584928	4402432	4758774	670871	697133	729011	644540	732990	3178	524703	918504	511806	698950	570310	650199	755706	763378	427105	792676	470221	503850	940887	639800	674454	966695	494315	667354	8716	798226	860762	555555	615515	650531	753156	489943	797725	394524	734489	603585	4691	670890	756060	Phytochemical	0.3181818	1.1818181	0.0
12	C22 H26 O7	403.17514	403.17563	-0.19114962	403.17505	190345	195362	162197	167909	77835	60680	159115	181523	101252	171293	142867	106430	76454	48097	106341	208704	181618	79563	128918	443438	393380	199450	128896	197674	107551	448724	164408	125611	141763	163445	133124	160453	149852	116769	332322	149850	141387	122087	187755	268768	211018	76591	5043	1725	2179	139808	179782	2640	165019	195686	179380	178474	74870	1755	112832	83277	67710	187102	133921	159356	232966	109514	113127	88740	58770	87630	82376	186041	210298	514198	640412	119070	130854	173789	171707	154386	1918	115867	158604	95938	146048	110035	133397	104133	109922	68952	157680	61667	84947	246798	140283	148147	167084	102470	300926	4240	178787	185579	87211	93757	107364	172728	104614	185663	112928	120534	90179	2257	130890	99438	Phytochemical	0.3181818	1.1818181	0.0
24	C22 H26 O7	403.17514	403.1755	-0.14685197	403.17508	224036	210045	206543	209153	216869	179295	82803	174230	222959	439565	221734	107297	350525	145054	148186	182655	103349	304619	312742	453409	444071	222387	169116	197791	128065	441988	71957	213619	153216	136077	133905	150744	178253	143307	480053	147956	231647	117625	117536	282245	217961	117088	12762	5249	0	214605	179266	5760	168607	126116	203040	199021	167929	5204	259092	200021	106806	179345	136175	80450	186844	196183	305150	215384	91077	279196	148469	118167	410276	661160	605580	167328	132576	136132	93305	131539	0	130311	204100	109339	157114	136191	114853	171201	238407	130072	175562	118006	149092	144048	168516	189104	266808	139239	218906	5949	213682	207621	159920	222283	205759	170974	98346	179859	139418	168371	152626	4955	116950	320499	Phytochemical	0.3181818	1.1818181	0.0
20	C22 H26 O7	403.17514	403.17557	-0.10138597	403.17508	1207477	1315091	1232291	1091936	1040461	886470	578937	1094677	1059013	2365647	1378606	644587	1370596	682761	896400	1044005	652474	1230438	1452908	2731355	2678731	1257973	927603	1177116	792954	3015728	552151	1271632	992711	864395	872592	957665	1107153	940691	2548982	885027	1229255	722261	695099	1680084	1327199	670126	26351	7366	4450	1124750	915591	9998	981489	881270	1199588	1246907	869560	7233	1110255	888233	602509	1064343	883821	597111	999398	1100220	1284262	995110	491794	1116172	778668	707771	2380074	3847855	3587186	1006554	932534	927617	693751	927456	4245	704905	1087126	702824	876960	662848	722673	1171674	1051380	618679	970187	712998	756372	809529	1061390	1104873	1377134	787784	1039960	12225	1278482	1220754	847634	905400	841677	992544	700793	1203889	702250	930080	820499	9104	727744	1443181	Phytochemical	0.3181818	1.1818181	0.0
28	C22 H26 O7	403.17514	403.17554	-0.161055	403.17508	30984	26999	28405	27665	32476	20391	15281	24940	27602	49039	25471	12470	54106	22239	20863	30047	23894	34877	43275	51767	54939	28469	25701	28468	18772	63772	15844	31867	24472	21919	23821	20453	27279	23806	49329	24481	29325	14650	23094	25515	29995	22514	4546	1872	0	23448	23470	2844	23691	21878	27780	25642	26070	3566	34471	28622	14215	29444	15432	11971	32607	19009	42007	23912	12736	43874	23225	21849	59377	81196	83654	22941	17560	19812	17403	23809	0	12998	32183	20580	21399	16717	16866	22470	32097	17927	27605	18858	17937	22782	24470	29806	33029	19480	26807	2487	30551	31486	19331	36912	40970	27398	15574	26527	11927	22199	21935	2481	15224	31095	Phytochemical	0.3181818	1.1818181	0.0
8	C22 H26 O7	403.17514	403.17566	-0.2671159	403.17502	17412	18778	15373	18449	7775	7133	16956	22768	8518	31084	10009	12579	7857	6117	13594	18183	17435	7651	10544	41890	37948	17562	13825	20791	12108	15978	16458	11295	17175	18542	13861	15480	15240	11615	16923	21545	14341	12470	23145	17117	39636	8403	2062	1133	1786	18984	18541	1733	19130	19517	13941	17119	8613	1297	12064	10071	8309	15343	15015	18072	22386	8246	8361	9088	4851	9626	9010	23931	14143	35372	21496	15192	14824	16029	11691	22156	1356	10483	20486	5025	17004	16778	16642	12831	8543	8947	14340	7950	10895	16684	11220	11347	16296	10987	14853	1755	17120	16332	9841	11027	12005	15457	14103	17997	8311	15840	7619	1358	14990	7925	Phytochemical	0.3181818	1.1818181	0.0
14	C22 H26 O7	403.17514	403.17563	-0.17661966	403.17505	425982	407108	398178	399338	278952	189512	324263	444096	288958	478550	355297	314204	278698	174699	290236	461087	385649	278898	304988	584206	1145758	397149	326514	468856	288728	809020	318083	338812	318818	370665	345171	409954	384116	268811	517838	353276	335086	301291	439321	791494	497028	210893	11015	2807	2526	345865	394621	3183	398356	394523	394788	364299	234983	2922	307315	254427	207137	448662	389439	410288	514600	278042	309951	261949	169084	264808	221344	431937	676203	1657810	1981500	315968	317704	361868	373328	380997	2206	266777	446783	273269	408676	273412	354506	647320	337678	186090	388772	205568	232315	560843	319900	307216	450940	243108	303577	5657	406251	367835	248333	306656	294772	356500	280229	460090	260805	344053	242451	2543	329531	282513	Phytochemical	0.3181818	1.1818181	0.0
26	C22 H26 O7	403.17514	403.17554	-0.19045356	403.17505	75271	63160	66802	65546	79934	58362	25641	60131	78071	113384	62813	40228	127761	52061	53789	69143	35062	98250	102773	123351	129340	77020	55485	73365	42097	138970	24709	64060	56962	53357	46538	46620	60063	48966	128500	53687	64227	37991	48401	86042	71123	42212	6510	0	0	61906	51844	0	55146	55341	69284	64665	59095	0	89337	65036	38905	62247	41582	29444	65900	52553	99627	66176	26812	84758	58705	40927	143162	195030	199161	58851	47115	46929	40041	48867	0	38696	64333	38259	54682	43897	37929	63599	88719	47061	68311	46670	48269	51155	58628	58122	82935	43198	71101	6611	65739	80784	51469	88171	74969	55817	39270	52360	38055	45764	48704	0	41331	95106	Phytochemical	0.3181818	1.1818181	0.0
2	C16 H26 O8 N4	403.18234	403.183	-0.12430313	403.18228	3401	4343	2684	4300	2655	0	1555	4723	2420	842	2228	2645	2678	1081	3068	659	3004	3255	2231	0	753	2430	2875	3580	1254	0	0	7443	4693	2382	4127	2698	4613	4048	1530	2387	4785	2128	3679	0	0	0	0	0	0	1001	348	0	4945	2600	2923	4165	2579	0	2514	1360	1076	6740	844	415	1504	0	2752	1619	0	4749	3029	4139	0	264	0	5037	2841	2912	0	3169	0	2070	3089	25354	2628	0	0	0	1967	1520	3510	3110	2995	6818	22006	9005	7783	4180	0	0	5090	2523	1347	1779	1861	2846	2080	775	0	4797	2124	0	1990	4033	Peptide	0.5	1.625	0.25
0	C16 H26 O8 N4	403.18234	403.18317	-0.17570694	403.18228	2814	2797	4167	2449	1587	9589	0	4362	1584	0	0	0	3725	0	0	0	1581	2865	3714	0	792	1892	1813	3331	0	0	0	4936	4873	0	2282	5213	6430	3985	0	4779	3351	762	1663	0	0	3477	0	0	0	0	0	0	3967	2295	2909	2043	2544	0	1301	924	0	3466	0	0	2251	0	0	0	2167	2436	5035	2583	0	0	0	2340	2746	4491	0	3736	0	1498	1103	25836	0	0	0	0	965	0	714	0	3544	1991	15545	4571	4636	3965	0	0	1901	2590	1123	683	0	3725	0	0	0	2336	1561	0	0	4862	Peptide	0.5	1.625	0.25
4	C21 H26 O6 N2	403.18637	403.187	-0.20127964	403.18628	13432	15390	11644	11111	5690	8404	7508	14076	6470	21362	9058	7254	8804	4326	11256	15612	14091	8371	9379	20014	22633	17117	10269	14533	10055	14550	7796	8133	10404	10834	8838	10362	11558	11335	24014	12288	13661	8916	16430	17289	16936	5986	0	0	0	13718	16281	0	13952	13525	12596	11235	5888	0	9011	5089	3981	12082	5120	5881	13693	13150	5611	6844	2361	8255	6544	14037	15153	21306	18307	11544	10062	10984	9685	9533	0	8457	11193	15272	10022	6219	7370	12081	5441	5132	10383	6797	6438	16431	17398	16502	21945	13891	22082	0	11927	12542	5255	5745	4756	12117	5769	17858	8809	11186	5130	0	9637	7494	Phytochemical	0.2857143	1.2380953	0.0952381
22	C21 H26 O6 N2	403.18637	403.18677	-0.17026229	403.18628	15584	16602	14404	12884	10853	10776	8433	17744	10042	14449	19056	10439	5069	4613	14093	18125	15765	6938	8910	18484	18140	13637	13897	24524	17836	42784	9923	16574	14601	14050	14306	23781	19721	16718	18147	18176	26394	10809	14400	21088	21431	11363	0	0	0	18664	14172	0	15808	15858	16377	12992	10647	0	8983	4468	8458	15790	6617	13807	12367	16040	5995	8262	5559	7136	13474	16052	28123	21199	38248	10784	10543	11394	10057	12037	1039	11351	16232	11720	13338	10536	12607	12578	9496	10288	18505	13534	16297	22321	29775	22288	24497	12253	15639	0	14403	13948	9908	8019	5920	21885	10147	16712	10378	19319	8636	0	17816	6819	Phytochemical	0.2857143	1.2380953	0.0952381
24	C26 H26 O4	403.1904	403.19077	-0.15585555	403.19034	9928	8498	7322	7741	8204	4746	2863	7574	8259	7205	14843	4815	3417	3872	4190	7700	9956	5626	8605	9628	11008	7117	5637	8220	6262	48482	4600	17417	7410	7825	6053	8948	4848	5322	6206	6719	7642	6081	8291	12976	18689	6444	0	0	0	7926	12843	0	5631	7944	7837	10169	10589	0	5274	5539	7290	7643	4601	7471	8918	5257	4599	5566	4006	11211	14582	9393	43056	21268	45170	4563	5451	5652	3815	5384	0	4810	11394	8337	10109	8585	6278	12658	11423	6404	12518	8376	5842	8956	6147	5210	10622	9639	7447	0	9599	8016	6446	7475	10621	7794	5333	12197	8335	4775	11509	0	9867	3587	Phytochemical	0.15384616	1.0	0.0
26	C26 H26 O4	403.1904	403.1906	-0.21654311	403.1903	3060	4226	4367	4238	3676	2360	0	0	3082	3408	9717	0	4182	1927	0	0	0	0	7157	8278	0	5194	0	0	6732	25508	0	10296	0	5564	3040	0	4017	2742	5601	0	4553	0	3231	6878	10206	0	0	0	0	0	8337	0	4516	0	4376	4873	5067	0	0	0	3378	4305	3505	0	5245	5546	1699	3120	4056	4724	5075	5456	28499	11054	22200	2863	0	0	0	4438	0	3214	4483	0	2824	6997	2902	8678	0	7600	7247	3560	3386	4203	1648	2058	5510	5965	0	0	3845	0	4639	6983	0	0	0	0	0	3841	5767	0	4571	0	Phytochemical	0.15384616	1.0	0.0
8	C20 H26 O5 N4	403.1976	403.19806	-0.39839226	403.19745	3983	5240	3941	5445	0	2356	3798	4015	1575	1747	2755	3151	1031	0	3298	5614	5868	1346	2558	3557	4556	5650	2844	7003	6837	825	2330	8646	5082	5294	4755	4864	5632	6177	1877	5443	7282	2640	6340	6146	2927	1530	0	0	0	3149	3389	0	6432	3440	4253	6973	1225	0	1301	0	1517	6089	0	2478	5402	0	944	790	0	1271	2107	6450	0	0	0	4367	4692	3477	2680	2472	0	3941	3975	23430	3310	0	2087	2923	0	0	4784	2634	2084	9381	36478	10674	10657	4038	5909	0	3659	5379	0	843	0	4745	1639	6286	0	4358	0	0	4224	813	Peptide	0.25	1.3	0.2
22	C20 H31 O3 N2 S1 Na1	403.20258	403.20294	-0.23809597	403.20248	5007	6063	4569	6149	4392	3843	1241	4606	6086	10165	14401	3786	6457	0	4195	5171	3318	5624	6524	17528	16059	6287	3253	6947	3822	24277	2595	8339	4332	6511	6284	7277	6094	5082	9722	7080	6241	4647	4615	11569	7689	2815	0	0	0	5230	5216	0	4898	3880	6789	4085	3686	0	4385	5598	4303	8576	6572	2534	8591	6332	4343	4001	0	0	3830	4951	13837	35362	22869	3955	4602	5738	4983	3571	0	2821	5455	13827	3109	2443	5137	5216	5260	4868	3929	2898	4661	3974	7245	8393	8037	7170	5338	0	6968	7754	3977	6799	5480	6641	3376	9408	4350	6803	2941	0	5432	7213	Organosulfur	0.15	1.55	0.1
20	C20 H31 O3 N2 S1 Na1	403.20258	403.20297	-0.23920512	403.20248	8605	7704	6907	7862	5389	3599	4021	3368	7010	11501	5325	4877	6198	0	3341	7681	4514	5405	9675	15264	11407	4872	4019	5690	6272	23373	3855	6820	7138	5447	6063	8178	5297	4625	10383	4386	6775	6020	4951	3847	6509	2790	0	0	0	3103	2737	0	3718	4130	5761	7951	5610	0	5842	6428	3788	5871	4067	3520	6119	5077	4955	5214	2369	5216	3770	5263	16295	24672	33825	5532	5199	4417	6110	5054	0	4052	6482	2861	3354	1152	5309	0	5037	3568	3952	2361	5945	7625	5520	3420	9800	1762	5209	0	7164	5961	2865	5566	5215	6418	4157	5819	3177	5365	3184	0	5059	7719	Organosulfur	0.15	1.55	0.1
22	C23 H30 O6	403.21152	403.2119	-0.12798175	403.21146	1315425	1325742	1135203	1290379	1203399	958026	747964	1165450	1153902	2221409	1485207	711229	1082179	792185	942250	1151474	969802	1397480	1417073	2644242	2695949	1245169	952343	1195600	958393	3114348	756395	1459727	1210016	1087162	1001059	1146006	1402173	1059214	2203154	1208599	1447449	846281	1020194	1536483	1405281	788014	35293	10020	4243	1028394	932924	10165	1183787	1039491	1354195	1264962	1017522	7937	1331731	1108188	709435	1262863	925371	678481	1237455	1033454	1221756	1027892	548097	1192645	888710	1017513	2533516	3893149	3752747	990858	934097	1025809	864705	1061396	4957	796966	1149253	720935	938876	680101	891970	1009265	1219899	814892	1135408	827633	944237	964115	1310983	1424193	1366629	907652	1293349	11335	1179603	1329658	874411	1157198	1029912	1494257	761898	1357094	712211	1080670	974532	8716	814981	1326804	Phytochemical	0.26086956	1.3043479	0.0
28	C23 H30 O6	403.21152	403.21198	-0.053244058	403.2115	33997	30523	35354	35430	38462	18367	26141	36630	28338	38919	29968	21872	44747	27143	24254	35634	36127	36229	50041	53049	54156	32136	28592	33206	27420	76573	34187	34059	39928	36207	32997	33614	47195	28433	50462	40312	44181	17750	36338	30048	35684	26656	4567	2403	4731	26694	24969	2835	35210	34444	34890	33714	32476	0	36039	32908	16956	43133	19537	16142	38777	20355	37079	25892	19085	46788	31091	42403	67915	90709	98479	22447	34489	30941	23608	28752	3876	21503	29280	22208	21814	20215	22874	24511	36435	19198	42673	19526	24961	37198	33527	34676	45398	22470	25364	2449	36086	32491	20618	47181	43360	50134	20655	39161	18048	30559	27624	3154	23459	36048	Phytochemical	0.26086956	1.3043479	0.0
26	C23 H30 O6	403.21152	403.21194	-0.148224	403.21146	173901	175230	164068	180328	169360	125623	91107	197321	168721	234239	185835	98030	245160	129805	136432	166706	121756	237308	278575	357817	327814	185883	126607	171545	138291	367779	94756	192069	197992	183139	176643	158878	228104	144933	322174	197115	260391	114724	106371	226065	176915	121175	8227	0	0	156330	116157	5206	186729	159916	185970	176011	136661	0	207411	165639	103203	184860	153471	71777	190166	142710	190471	145196	80145	192268	164801	129781	368898	490497	485811	157635	148425	166155	122618	172049	0	127691	169323	104982	123365	99865	128188	154604	168730	102318	159351	113982	127103	130543	160917	178383	246509	118137	166850	6223	176057	187276	107321	181806	181691	241311	113874	198282	139482	146510	123962	0	119467	197363	Phytochemical	0.26086956	1.3043479	0.0
20	C23 H30 O6	403.21152	403.21194	-0.14201124	403.21146	1145578	1180311	1151793	1030774	1079812	736632	750647	1003247	991719	1537743	1148624	711026	1044871	684753	897950	1234120	995240	994055	1433095	2038444	2107489	1005091	800856	1111605	745437	2791177	752720	1100320	1020875	949923	778020	985952	1189721	882624	1570809	981623	1155916	748311	1011692	1174597	1272584	717904	23160	7398	2515	790996	806384	6393	1034921	865638	1118645	1157629	894885	6471	1008796	960660	656008	1149885	794595	744827	1040477	762040	1011245	917485	552950	996079	775595	1041402	2094980	2901992	3376092	799060	838778	917230	1082460	938307	2148	696499	1181178	696346	843486	518850	848073	923287	1124073	714174	1156589	745869	796592	1026668	1088316	1017453	1267304	713649	928129	9853	1140982	1133225	790331	1104370	1108050	1195331	690262	1215362	582186	917140	940813	6966	830066	1124892	Phytochemical	0.26086956	1.3043479	0.0
24	C23 H30 O6	403.21152	403.2119	-0.1239592	403.21146	740103	731025	744035	751908	687125	540158	359363	652780	624335	1218540	838967	370123	875803	430258	539340	672481	714536	863117	1043347	1594566	1440568	721834	541231	658363	452440	1611963	325695	816570	800478	707982	675757	631323	1271689	569331	1477445	696015	1475072	430359	768558	909418	714100	404359	22034	6621	9150	612358	472906	9559	697845	496084	748808	726728	538358	12430	793565	581705	352496	695670	579144	321038	706858	618251	739302	584037	270650	755552	530616	556364	1354946	2088771	1905164	606426	576847	671562	628670	693274	9541	481704	607956	386852	449397	413905	463995	594681	629214	403994	565734	390702	551762	439560	712593	753933	844396	515868	746865	7545	773750	779773	440872	561795	556164	1698868	380129	784966	441803	729824	475349	8651	437911	770039	Phytochemical	0.26086956	1.3043479	0.0
12	C23 H30 O6	403.21152	403.212	-0.25492805	403.21143	35088	33273	30938	35715	12351	10396	34537	31967	15106	20494	14589	18528	7663	6349	21304	49766	39084	9012	16752	23256	17743	32923	25771	43989	22817	16925	40771	0	22991	32837	21773	29360	20360	9955	18531	34917	24123	19803	41604	18153	20333	11888	1312	898	1237	15326	26703	1036	28247	31513	28476	28792	9960	344	19045	14530	13707	35669	21034	19525	31932	9841	13826	12743	10890	11812	11274	40178	19888	20551	26654	13603	17502	36316	41043	28538	800	20245	31114	0	28835	16455	26180	13123	24293	9553	30156	10641	12142	50064	31892	30623	30980	11636	24887	1233	32553	36721	18352	24645	23374	31196	20581	32446	0	17900	14662	1136	26240	11004	Phytochemical	0.26086956	1.3043479	0.0
0	C17 H30 O7 N4	403.21872	403.2194	-0.24121042	403.21863	2048	2629	2468	2591	2342	0	0	3134	3807	0	0	1668	5440	0	2390	0	1675	10825	2646	0	1076	2958	2419	4070	1671	0	0	2755	5797	1807	3565	1773	7264	5469	0	3322	6975	1812	2427	0	0	2412	0	0	0	0	0	0	2978	3132	2131	2644	2146	0	2239	1451	0	3324	402	0	2333	0	0	2480	0	3068	2074	2680	0	0	0	4429	4864	3409	0	3925	0	2895	2160	27749	1616	0	0	0	1602	1974	1627	4921	3767	3314	8174	3567	3879	3077	0	0	1935	2942	1776	581	1295	1988	2181	0	0	4775	1972	0	1843	4880	Peptide	0.4117647	1.7647059	0.23529412
6	C17 H30 O7 N4	403.21872	403.2193	-0.028283205	403.21872	22726	23307	21955	22765	1184	8670	2568	1678	0	5106	20772	0	1871	0	960	3148	1169	801	0	0	0	1503	949	1137	1806	0	16859	126411	1899	0	1145	1088	3745	1594	1016	1402	3538	1367	1233	0	0	1012	0	0	0	0	0	0	2256	0	25505	23763	824	0	0	0	899	1526	0	0	1565	0	0	0	0	3422	0	0	0	0	0	0	1023	705	0	0	0	987	1058	808579	683	0	0	0	874	1242	2389	854	1057	3282	2102694	767456	2230	140135	19453	0	22057	21540	855	0	0	3256	874	0	0	2184	0	0	1285	1208	Peptide	0.4117647	1.7647059	0.23529412
10	C17 H30 O7 N4	403.21872	403.2193	-0.13345645	403.21866	0	0	0	0	0	0	0	0	0	0	1504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44168	0	0	0	0	0	0	0	0	0	0	128838	39494	0	12112	2519	0	0	1496	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4117647	1.7647059	0.23529412
4	C17 H30 O7 N4	403.21872	403.2194	-0.007082269	403.21872	16550	15980	14337	15791	675	11727	504	1341	717	2548	16381	0	787	655	1718	1991	0	1270	1203	0	0	2324	549	1087	1589	0	729	89842	1442	0	411	0	2339	966	0	847	1125	1201	1066	0	0	1239	0	0	0	0	0	0	1450	656	14162	13155	1121	0	1338	673	358	1666	0	0	627	0	572	0	0	906	528	0	0	0	0	560	709	645	0	717	0	696	635	820550	443	0	0	0	0	872	1307	739	628	1261	1567890	639091	3221	92037	14184	0	15575	15974	1484	456	684	1133	0	0	0	1420	0	0	353	1018	Peptide	0.4117647	1.7647059	0.23529412
8	C17 H30 O7 N4	403.21872	403.21933	-0.17989987	403.21866	3507	4048	2671	3385	0	1519	0	0	0	0	3049	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30998	0	0	0	0	0	0	0	0	0	0	0	0	0	702	0	0	0	0	0	0	0	0	3651	3582	0	0	0	0	0	0	1267	0	0	0	0	0	0	0	0	0	0	0	0	826	0	0	0	0	0	0	0	146482	0	0	0	0	0	0	0	0	0	1145	438483	176290	1475	20751	3543	0	4384	3510	0	0	0	0	0	0	0	1125	0	0	0	0	Peptide	0.4117647	1.7647059	0.23529412
2	C17 H30 O7 N4	403.21872	403.21942	-0.16783163	403.21866	13008	11733	9733	12191	2071	57082	1035	2912	1715	1486	17118	1431	5155	2290	2728	1037	2799	9837	3373	0	497	2690	1913	2214	1157	0	0	279027	3321	1191	3728	2174	7634	3416	1558	1182	5454	1706	2890	0	0	5163	0	0	0	485	0	0	2537	1632	10621	10428	4696	0	2153	1180	1010	4442	232	0	1393	0	2728	1184	2917	5933	1927	2922	0	326	0	3901	2599	2441	0	1589	0	2051	1439	1773453	1010	0	0	0	1132	1887	2317	5303	1940	4900	468855	223754	4970	138869	1748	0	11046	13418	1966	928	1154	1989	3187	892	0	3188	2331	0	1793	5425	Peptide	0.4117647	1.7647059	0.23529412
6	C22 H30 O5 N2	403.22275	403.22336	-0.19674376	403.22266	7983	9410	6587	7467	1662	2404	5723	15721	1509	12762	5148	6690	588	1777	8996	17080	8801	1484	3168	16373	13182	9972	8179	15211	10860	5107	5886	4426	9973	12708	11857	13975	12129	9561	13144	12432	12806	6399	8672	9983	5791	3895	0	0	0	5927	5797	0	21443	11685	9669	8036	3072	0	2730	625	2003	17655	0	0	18156	5172	597	2238	2293	2064	4708	15202	3828	13151	5719	11460	9168	9512	10037	9112	0	8243	7629	0	4473	1179	1118	8451	0	1758	8963	4297	5220	15922	0	0	27753	5401	13603	0	9741	8431	1464	947	547	10660	6526	11889	0	16031	670	0	6670	684	Lipid	0.22727273	1.3636364	0.09090909
12	C22 H30 O5 N2	403.22275	403.22324	-0.21792477	403.22266	8320	8153	6768	6175	2702	3926	4740	11058	1341	13039	9747	5675	2047	3581	5675	10456	12579	0	3965	29167	24799	6246	7570	13935	10253	15515	3416	10056	9313	9508	11189	12748	14413	9190	18902	11251	15951	5496	11877	14201	10679	6159	0	0	0	10641	7151	0	12766	7749	7409	6163	3276	0	0	0	1453	13459	0	0	0	5553	1890	3828	1954	1933	5727	12155	0	23443	16786	6937	10607	9504	9235	9321	0	5886	5531	0	4652	2095	2019	9568	1241	1198	8413	7095	5005	20261	17560	6980	22374	9091	15773	0	7926	9367	1901	0	1106	15752	6395	8058	0	15107	914	0	7783	1340	Lipid	0.22727273	1.3636364	0.09090909
10	C22 H30 O5 N2	403.22275	403.22327	-0.2363596	403.22266	12093	8752	12849	10821	2966	4948	7389	14780	2733	20696	7237	6207	2568	2637	6983	13439	7406	2319	7100	26856	19677	12501	9530	15969	11746	10841	11545	13096	14681	13408	9977	14424	14811	11697	23094	12458	16069	6866	10354	16815	7583	4191	0	0	0	7986	10476	0	16047	11450	9166	10896	4858	0	3273	771	2414	20139	0	0	10282	6289	1583	1591	1101	3272	6137	16934	9131	24371	15235	11456	11534	7574	9337	12738	0	8301	8512	9872	6900	940	1652	11200	935	2278	9227	5148	5858	18336	23788	5704	22971	11897	16698	0	12123	8337	1277	1082	1295	14646	5146	13568	0	13345	1759	0	8644	2412	Lipid	0.22727273	1.3636364	0.09090909
18	C22 H30 O5 N2	403.22275	403.22308	-0.33942124	403.22263	9616	9699	10192	12087	2463	3687	8523	12677	1498	9997	10095	4460	0	1990	6582	12844	13705	0	6751	15773	10850	8878	7595	14677	10280	7034	10057	7233	11144	10763	5264	13015	11792	11198	10231	10443	13366	6405	17516	9655	11938	4966	0	0	0	10852	6199	0	13972	8545	8978	9965	2470	0	2577	1574	2720	13971	5502	9238	13739	7578	4026	0	4040	1762	4197	15675	9579	18057	13817	8449	6921	8004	10063	10535	0	3488	6415	7048	7848	3605	11255	9974	2784	1993	11794	5400	5168	31554	12423	16167	19740	11642	12713	0	13781	7085	0	1596	0	15364	7944	11746	5044	10409	1879	0	9442	3090	Lipid	0.22727273	1.3636364	0.09090909
20	C22 H30 O5 N2	403.22275	403.22305	-0.35683697	403.2226	17242	16544	20029	7895	4628	4062	13368	20899	7516	8770	9771	9172	0	4459	16633	45960	25600	3787	4514	12078	6639	33853	60975	79436	41192	12341	14690	7693	9655	12804	13357	15999	18064	9572	8219	15605	23449	13675	24993	13976	19697	8090	0	0	0	14725	8046	0	13671	15908	13477	16352	7866	0	0	2434	5504	55316	6044	14490	53273	5822	0	0	4091	0	7873	30536	6002	6451	18797	9061	11854	11501	19756	12125	0	11980	21625	10446	23715	7485	17831	0	3064	4770	18530	9121	8132	39802	30619	24747	140629	5966	11085	0	12254	16998	1172	7558	10363	19751	9376	15209	2545	27319	8271	0	22638	2117	Lipid	0.22727273	1.3636364	0.09090909
8	C22 H30 O5 N2	403.22275	403.22327	-0.24980323	403.22266	12567	10085	10738	11546	3040	5474	8219	15052	2121	16243	7707	8067	1837	2463	9263	13964	11293	3517	5470	26553	20459	13271	7982	16168	9687	9833	7746	13690	11870	12348	12338	14614	15454	11872	17523	12265	15331	6652	13435	20180	7217	5656	0	0	0	9544	5713	0	16091	11353	9457	9573	5986	0	3508	1442	3404	15404	0	1913	16550	6725	3480	4166	2673	3144	6311	15451	6397	14818	9906	12829	10883	11559	9238	10685	0	6639	8148	12458	6809	1269	727	9888	1794	0	8690	5165	4736	18694	16169	0	23516	10719	17793	0	10940	10296	961	988	0	11936	6586	11552	0	13667	2554	0	9354	2387	Lipid	0.22727273	1.3636364	0.09090909
26	C27 H30 O3	403.22678	403.2271	-0.2524243	403.22668	7393	7111	8202	7667	6970	4012	4698	8235	6265	3826	8805	6898	6667	4006	0	10738	10740	0	4733	5010	6977	5864	5907	12534	7708	26912	5672	7561	6195	15447	7396	6457	9707	5591	3438	13165	10932	6006	12315	6901	11047	6594	0	0	0	0	0	0	9562	13010	5808	7626	7917	0	0	0	5890	10243	4850	4699	9672	4257	2624	3622	2696	4894	7529	14183	25751	10162	22911	4691	6871	13677	0	12241	0	7711	8103	8586	7471	6302	3979	3774	5074	0	11035	5355	6161	10449	4918	3139	11349	7306	0	0	7056	7606	5812	10436	10601	15933	6170	11630	0	9194	6469	0	5530	2791	Phytochemical	0.11111111	1.1111112	0.0
24	C27 H30 O3	403.22678	403.2271	-0.2552153	403.22665	13261	10979	9817	10970	9573	2198	9256	14697	4934	6764	8968	11770	2344	3299	7067	16858	18349	4029	5401	4121	9267	8866	8836	20642	9938	22577	11929	11318	13457	9734	16388	9836	15732	9283	4073	17095	18815	10667	22620	8468	12316	9590	0	0	0	7319	7290	0	19454	13840	11052	12618	10130	0	8777	5107	14327	13755	6307	12227	16129	6121	3354	3696	10416	5678	8061	26457	19405	16688	24711	7274	10342	12653	13513	15273	0	10673	12472	6160	10090	7730	8499	8032	8323	23869	15751	13653	8049	24233	12246	8358	17433	4884	4069	0	5680	14651	5903	8354	10697	20058	10029	16160	4421	15298	8407	0	14466	4018	Phytochemical	0.11111111	1.1111112	0.0
2	C24 H34 O3 S1	403.23013	403.2304	-0.6260342	403.2299	849	1266	0	0	0	0	0	0	0	0	4398	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12116	0	0	0	0	0	0	533	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	737	1131	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49702	0	0	0	0	0	0	0	0	0	0	28413	5296	0	26856	0	0	1552	0	701	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.125	1.4166666	0.0
0	C24 H34 O3 S1	403.23013	403.23077	-0.5991188	403.2299	0	0	2517	1908	0	27953	0	0	0	0	8614	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	113913	0	0	0	0	0	0	0	0	0	0	0	0	0	1240	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1340	0	0	0	0	0	0	0	0	0	0	0	0	0	0	238668	0	0	0	0	0	0	0	0	0	0	151442	20900	0	9961	0	0	1896	2029	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.125	1.4166666	0.0
10	C21 H30 O4 N4	403.23398	403.23444	-0.16921213	403.23392	0	0	0	0	0	1201	0	0	0	1447	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1459	0	0	4960	0	0	0	0	0	0	0	0	0	0	1072	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	70609	0	0	0	0	0	0	0	0	0	1214	23731	7716	1816	3650	0	0	0	0	0	0	0	1130	0	0	0	0	0	0	0	0	Peptide	0.1904762	1.4285715	0.1904762
24	C21 H35 O2 N2 S1 Na1	403.23898	403.23932	-0.21253012	403.2389	6569	4229	6478	7168	6472	2304	3601	5274	5711	9841	7829	3022	3252	2911	4880	5686	7273	5603	6257	10672	9788	3970	3022	4504	2737	31522	3370	8705	5989	5842	5213	5528	5193	6680	10595	6280	8587	2656	6062	6689	10869	2178	0	0	0	2281	3702	0	3043	5229	6136	6048	4175	0	4091	5934	1895	8257	1972	2491	6474	4268	4753	3410	1864	6241	4597	9330	16306	17155	19756	5097	4801	5977	7032	5708	0	2643	7118	3021	2876	2841	3366	6471	5849	0	6658	3323	4131	7695	5636	4684	4075	5774	4256	0	6764	7010	3163	6862	5664	7046	2537	7680	2171	8247	5461	0	4232	4987	Organosulfur	0.0952381	1.6666666	0.0952381
26	C24 H34 O5	403.2479	403.24832	-0.16919005	403.24783	380451	374771	375200	362971	367622	188481	348194	491333	324076	378204	478751	373288	356306	237696	264368	1023026	310517	379446	613782	625005	571631	390808	210154	280210	333124	854616	284147	529266	405599	595615	345146	406174	448460	275886	588039	570211	436655	249549	312990	426469	383628	244287	9350	0	0	278556	251367	5460	385078	614106	398254	349862	291489	0	416239	403156	207442	541709	299181	189889	556646	299469	286867	276880	171401	352185	345898	355072	693037	815674	767329	229449	294174	685778	540951	729770	0	242139	341066	333855	198472	242076	310122	343936	384193	253609	442934	236852	312473	449889	412331	463901	427560	340728	358199	0	383490	424354	237107	426573	430249	504645	404632	416530	265957	360331	309595	0	331066	280885	Lipid	0.20833333	1.4166666	0.0
16	C24 H34 O5	403.2479	403.24832	-0.26797193	403.2478	14280	11567	8813	14771	10036	4928	18658	11816	7444	2735	4878	12230	3540	6202	13153	17656	35247	4614	12706	4801	6938	8410	10335	11113	9104	5136	24127	8214	12843	14130	10393	13433	9289	6533	3093	17333	10916	11157	33970	5032	6157	8444	465	0	0	5859	6512	0	18299	9979	13400	13786	9175	0	9247	10419	10383	17860	5290	12395	8252	1445	7928	5311	8641	4745	5705	41743	4430	6594	11218	4734	8736	17212	21380	15453	0	8536	20327	5389	13711	6544	12943	5899	22645	10453	25764	7054	9477	38259	12879	8041	0	4739	2368	0	7990	10047	7329	20428	25820	15656	8400	8626	0	13593	14887	0	16850	4842	Lipid	0.20833333	1.4166666	0.0
8	C18 H34 O6 N4	403.2551	403.2555	-0.22500215	403.25504	13835	17304	10033	14114	0	9865	1922	0	0	0	4989	0	0	0	0	1349	0	0	0	0	0	0	0	0	720	0	1501	96646	0	0	0	0	9235	1226	0	0	6112	0	0	0	0	1183	0	0	0	0	0	0	1329	0	12009	15258	0	0	0	0	0	1797	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	811	0	742623	0	0	0	0	0	0	0	0	0	0	1096241	421448	0	67691	8706	0	10760	10149	0	0	0	6533	1024	0	0	2735	0	0	0	0	Peptide	0.33333334	1.8888888	0.22222222
2	C18 H34 O6 N4	403.2551	403.25574	-0.25247297	403.255	772	758	892	0	311	0	0	0	0	0	2845	0	476	0	388	407	0	519	0	0	0	0	404	715	0	0	0	92284	514	0	0	0	713	0	0	0	1190	0	444	0	0	0	0	0	0	0	0	0	0	0	1191	612	355	0	0	0	0	0	0	0	363	0	0	0	0	574	410	771	0	0	0	0	0	0	0	0	0	481	0	255090	0	0	0	0	0	465	493	0	702	0	180330	82618	0	9797	0	0	1027	1184	0	0	0	0	814	0	0	0	0	0	0	0	Peptide	0.33333334	1.8888888	0.22222222
10	C18 H34 O6 N4	403.2551	403.25552	-0.17049417	403.25504	2048	3568	3525	4680	0	0	0	0	0	0	1482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2827	2478	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	203482	0	0	0	0	0	0	0	0	0	0	507940	135691	0	30348	1826	0	2899	3127	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8888888	0.22222222
4	C18 H34 O6 N4	403.2551	403.2556	-0.19669773	403.25504	6347	7447	7422	6866	268	12972	0	710	0	0	2817	0	993	0	0	835	0	843	0	0	0	528	0	1190	323	0	0	94521	0	0	0	0	1083	0	0	0	1447	0	0	0	0	1242	0	0	0	0	0	0	0	0	6247	4962	371	0	0	0	0	1655	0	0	1285	0	271	0	0	0	272	0	0	0	0	395	0	0	0	0	0	354	0	663808	270	0	0	0	0	0	378	486	0	662	469159	220630	1150	24891	4633	0	5885	6597	997	0	0	420	589	0	0	1273	0	0	424	572	Peptide	0.33333334	1.8888888	0.22222222
0	C18 H34 O6 N4	403.2551	403.25555	-0.33095798	403.25497	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	993	1551	0	0	0	0	0	0	0	0	0	6796	959	0	0	0	951	0	0	0	0	0	1044	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	444	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3030	0	0	0	0	0	0	689	0	0	0	33889	8348	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8888888	0.22222222
6	C18 H34 O6 N4	403.2551	403.2555	-0.20293999	403.25504	18440	17773	16271	16957	536	18970	0	0	0	986	9431	0	0	1268	0	2364	0	3110	741	0	0	1050	0	1109	0	0	0	212901	2627	0	1151	1627	4097	950	630	649	2792	0	1329	0	0	4373	0	0	0	0	0	0	0	626	20785	14674	832	0	0	0	0	1137	0	0	0	0	0	0	1101	1039	0	0	0	0	0	942	903	0	0	0	0	458	0	1295661	0	0	0	0	0	0	0	1021	633	0	1226074	456779	0	91963	9165	0	20692	16432	484	0	0	1207	1242	0	0	0	0	0	0	1100	Peptide	0.33333334	1.8888888	0.22222222
20	C25 H38 O4	403.28427	403.28467	-0.14474297	403.28424	2095	4492	0	3073	0	0	9093	3646	3208	0	0	2410	0	2966	2088	4286	20150	0	3166	0	0	0	2316	2095	2677	0	7924	0	1760	3527	2464	4548	0	0	0	7270	2325	2889	23461	0	1523	1901	0	0	0	0	2726	0	3653	3739	2797	3319	5270	0	0	0	1951	2213	0	2401	1856	0	0	0	3137	0	2187	20016	0	0	0	0	0	5051	17032	2551	0	0	4374	0	2717	0	7313	0	2257	3497	7860	2312	2308	25967	3321	2779	0	1339	0	0	3348	3070	1760	1677	4131	2315	1608	1467	0	3317	2635	0	8008	1648	Lipid	0.16	1.52	0.0
26	C26 H42 O3	403.32068	403.32086	-0.32254112	403.32056	6300	5924	6087	4884	0	0	103780	0	0	0	9264	3025	0	17305	0	0	10566	0	0	0	0	0	0	0	7589	10594	99997	12305	0	7769	0	4073	3914	0	0	7034	2319	5879	15454	2302	6511	0	0	0	0	0	0	0	4683	0	8246	5361	0	0	0	0	3946	6015	0	9252	10332	0	5158	0	18051	3677	10777	10846	7148	0	3354	0	0	11375	0	5549	0	0	4504	11367	2492	14477	10647	16644	0	0	15820	0	3403	19763	7482	6399	0	3326	0	0	6328	0	6572	2884	0	0	3086	12013	6615	3971	0	0	7965	0	Lipid	0.115384616	1.6153846	0.0
28	C26 H42 O3	403.32068	403.32098	-0.30435616	403.32056	4389	3049	3285	3227	1447	1934	52719	4756	1029	891	11733	2591	0	7434	5318	2550	6702	0	2336	2922	0	1309	2189	2323	6600	9632	37789	10329	3786	5391	2838	4598	3213	2272	1030	6695	3049	5183	4258	1006	2639	2929	1677	1505	0	2052	3326	1625	3327	4721	2092	2049	3658	0	2416	4117	4660	4452	3218	4252	8473	3707	3723	0	9937	2135	8521	5534	7753	0	1934	1817	2619	7087	4772	2599	0	2402	5996	11872	2596	7644	5425	6466	3708	6277	13611	1185	3214	8863	5448	3516	3371	6247	1887	1764	3121	3167	4874	2593	6424	3667	2365	6359	7576	2829	2830	1241	5045	1357	Lipid	0.115384616	1.6153846	0.0
22	C18 H13 O10 N1	404.06122	404.0617	-0.13185343	404.06116	5249	5183	5873	3483	8156	4163	0	2227	10129	3816	1783	1248	13892	0	2279	0	1693	12201	7833	0	4759	16823	3123	2710	0	0	2101	0	1510	0	0	0	3338	0	9002	0	2878	1411	2140	3764	8184	2260	0	0	632	3952	8548	0	0	1646	6381	2689	7582	240	12489	6786	2926	1433	1318	1405	2107	6561	19669	13978	2263	14243	4364	0	1790	0	0	0	0	0	1416	0	296	1573	5956	15003	5097	3447	0	1299	10451	5707	4428	5197	3737	2443	0	0	3092	20722	22320	0	4103	4285	4835	8730	9152	1971	2179	2893	6003	1882	7901	0	1662	23592	Phytochemical	0.5555556	0.7222222	0.055555556
14	C18 H13 O10 N1	404.06122	404.0618	-0.03288631	404.06122	5368	7156	3222	5558	14650	4167	0	0	17589	13874	8831	2066	33892	2826	0	3089	0	14546	15434	4578	18099	36362	2261	0	2003	0	2098	0	0	0	0	0	2727	0	22018	0	1476	1946	2721	6780	29786	4646	0	0	0	3408	11194	0	0	0	7883	6519	10346	0	17293	14832	5611	2881	0	0	0	11341	38706	29011	4258	17353	6956	2222	0	2149	3848	0	0	0	1908	0	0	1458	4325	14995	2541	5091	0	1634	18952	6790	5388	3865	6242	8958	0	2081	3580	30421	18285	0	8870	5319	12815	18439	19500	2980	2165	0	0	1690	11885	0	0	28834	Phytochemical	0.5555556	0.7222222	0.055555556
26	C18 H13 O10 N1	404.06122	404.0615	-0.22235583	404.06113	3132	3561	3851	4197	7122	4633	1988	0	9721	8990	0	0	11989	3841	0	0	0	19823	9990	0	8452	14709	0	0	0	0	0	0	0	0	0	0	2424	0	8449	0	2568	0	3217	2003	5872	0	0	0	0	0	0	0	0	0	3419	4107	5084	0	12346	0	2873	1729	0	0	0	0	15570	9440	3123	8570	4093	3219	0	0	0	0	0	0	0	0	0	0	4964	8349	5646	0	0	0	6604	6993	2394	5990	4857	3845	0	1782	4230	16974	21106	0	4156	0	3487	5391	4769	0	0	0	0	3541	0	0	0	18762	Phytochemical	0.5555556	0.7222222	0.055555556
16	C18 H13 O10 N1	404.06122	404.0617	-0.07991088	404.0612	8045	9173	6837	3636	21686	9578	2769	0	21782	12546	8484	2370	35952	6065	0	0	1682	20760	26360	5922	21192	32998	3662	2629	0	0	2226	0	0	0	0	0	6010	0	31833	0	3136	2292	2075	10391	24941	4014	349	0	0	3640	15819	0	0	0	5883	10967	10273	0	20321	20070	8087	1622	0	4255	0	12272	36736	21044	6857	25422	6442	5105	0	0	0	0	0	0	1972	1290	0	1303	8142	18645	6103	5345	1111	0	17066	5983	6027	8735	6423	0	0	1923	0	42032	32916	0	10163	5384	12325	21848	19095	4589	0	0	8710	0	12904	0	1430	37957	Phytochemical	0.5555556	0.7222222	0.055555556
12	C18 H13 O10 N1	404.06122	404.0619	-0.049100026	404.0612	2509	3740	4755	2559	6685	3482	0	0	12334	5035	5222	1341	19021	1402	0	1541	1911	5525	9768	2385	5089	20916	1650	0	0	0	0	0	0	0	0	0	0	0	15682	0	1999	0	0	2386	8999	3645	0	0	0	0	8878	0	0	0	5240	3584	4888	0	10817	12452	4149	0	0	0	0	5664	29936	11310	2173	12655	2161	0	0	0	2695	0	0	0	0	0	0	0	1328	0	1388	2529	0	0	9682	2770	2671	2961	2012	4065	0	0	2306	16895	10319	0	2210	5115	9250	12648	11096	0	0	0	0	1355	5681	0	0	23739	Phytochemical	0.5555556	0.7222222	0.055555556
18	C18 H13 O10 N1	404.06122	404.0617	-0.11006025	404.0612	7966	10576	8285	10592	15037	11008	1323	1881	11907	14454	5772	4121	26097	4265	2779	5006	0	23293	20009	5961	14364	34300	8522	0	0	0	1442	0	0	1538	0	0	6894	0	13614	1969	3295	2508	2960	5769	20561	6245	456	0	0	7938	8053	583	3669	1576	6240	9752	6558	0	15288	19108	8228	3671	0	1930	2914	11414	36339	21674	5378	22160	9385	2538	2246	0	2737	0	0	0	2198	0	259	1567	7223	19591	4907	5691	1211	2889	24337	6201	8397	8484	9668	7907	0	3686	6854	43898	28523	0	5107	12403	9925	17316	18807	6853	2123	0	4181	5242	9731	0	2962	27616	Phytochemical	0.5555556	0.7222222	0.055555556
20	C18 H13 O10 N1	404.06122	404.06168	-0.099429175	404.0612	4273	6316	5261	4830	14622	7529	0	2387	10951	8425	3049	2282	22209	4976	3671	0	2303	21120	19065	4268	13367	23579	7866	2947	1301	0	2314	1833	0	1748	1348	0	4311	0	12629	1483	4336	4580	2445	7828	12279	7348	935	0	292	5383	10405	1380	2141	1666	7574	7819	8659	0	17594	13512	5505	6140	1277	1708	2064	8623	19465	15785	5010	15563	5450	2803	0	0	2294	0	0	0	1765	0	356	1100	6067	12199	3358	5956	1239	0	13068	8119	4547	6468	6264	3414	0	1757	3090	32889	23669	0	8108	4512	7580	10910	15732	0	1442	1291	6651	4124	7800	0	3199	30541	Phytochemical	0.5555556	0.7222222	0.055555556
28	C18 H13 O10 N1	404.06122	404.06158	-0.23962656	404.06113	8792	6112	5943	6377	7126	6682	2104	0	9211	10685	2194	2270	16337	4785	3130	2194	0	15722	15881	3981	12129	14712	3131	2734	0	0	2043	0	0	0	1670	0	3319	0	12028	0	3118	2032	1836	4388	5965	3742	0	0	0	3456	5541	0	0	0	6895	4825	5964	0	13046	7017	3587	1261	1190	1672	2678	4812	20835	10718	3876	13772	5499	1487	0	0	1072	1383	1023	0	0	1040	0	1303	5707	8772	5465	1283	1242	1327	8429	3259	4831	3874	4941	4428	2658	2929	5307	12410	20550	0	6415	6747	4391	6759	6254	2427	1701	0	3110	2311	4884	0	2030	22909	Phytochemical	0.5555556	0.7222222	0.055555556
16	C15 H17 O12 N1	404.08234	404.083	0.08561569	404.0824	0	2167	1920	5032	9552	4730	0	0	8243	5695	7285	1848	15202	3330	1559	0	1997	11427	10334	4354	6634	11548	0	0	2096	8680	0	4188	1488	0	0	0	0	0	11727	0	0	3239	1843	9752	13995	4747	0	0	0	5271	9543	0	0	0	2768	5564	3978	0	14355	17797	2665	1559	0	2064	0	6399	18558	13120	3074	7998	4203	1565	9566	16713	17144	0	0	0	1909	0	0	2189	1501	7021	1333	4365	1421	6205	13736	2241	2856	3817	3663	0	0	5408	0	16662	17168	0	3145	6726	9270	6047	14475	0	1630	1863	4562	0	9778	0	1055	24209	Phytochemical	0.8	1.1333333	0.06666667
14	C15 H17 O12 N1	404.08234	404.08298	0.073147535	404.08237	0	3316	2848	4197	10603	3601	0	0	16421	0	0	2401	27637	4851	1554	0	0	13098	13227	0	3615	0	5015	0	0	0	0	0	0	0	0	0	0	0	0	0	1500	0	1205	1203	0	8584	0	0	0	0	0	0	0	0	0	0	6927	0	24220	24666	6378	0	0	0	0	2138	25341	28632	6008	12205	6535	1684	0	0	0	0	0	0	1237	0	0	1918	0	0	2098	0	0	0	20222	3203	0	6346	3742	0	0	2229	0	0	0	0	3194	5083	13373	18409	16724	0	1116	0	0	2258	10777	0	0	26384	Phytochemical	0.8	1.1333333	0.06666667
12	C15 H17 O12 N1	404.08234	404.08304	0.045398742	404.08237	3298	0	0	0	16609	5283	0	0	20343	0	0	1863	36914	2267	1116	0	0	13710	21358	0	3349	0	3480	0	0	0	0	0	0	890	1183	0	1691	0	2488	0	0	0	0	0	0	10701	0	0	0	0	0	0	0	0	1896	0	9613	0	22743	32854	6496	0	0	0	0	0	36862	27878	4179	14686	7573	0	0	0	0	0	0	0	0	0	0	0	1944	0	1213	0	0	0	19401	4233	1394	4624	6065	0	0	0	0	0	2607	0	2878	4363	16651	20574	22713	2418	1259	0	0	1403	16706	0	0	39227	Phytochemical	0.8	1.1333333	0.06666667
10	C15 H17 O12 N1	404.08234	404.083	0.009837588	404.08237	1872	2352	2639	2892	10696	3590	0	0	13883	0	0	1756	28058	1910	0	0	1363	11444	13072	0	3012	2222	3027	0	0	0	0	0	0	0	0	0	0	0	0	0	0	932	1229	0	0	6317	0	0	0	0	0	0	0	0	2336	2161	6587	0	20639	25320	4519	0	0	0	0	0	28311	18532	4467	10751	3063	0	0	0	0	0	0	0	0	0	0	0	1589	0	0	0	0	0	15974	1960	0	6212	4490	0	0	0	2530	4134	1586	0	2107	4041	7615	17170	17761	1813	1099	0	0	0	9873	0	914	25314	Phytochemical	0.8	1.1333333	0.06666667
8	C13 H17 O8 N5 S1	404.08707	404.08765	0.30128255	404.0872	1139	1585	1984	0	0	0	0	0	0	0	0	0	0	0	696	0	0	1250	0	1485	0	8904	1725	0	643	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	911	2615	0	0	0	0	0	0	0	1236	0	0	837	0	0	863	0	0	0	0	0	0	0	0	0	903	0	0	24129	0	2950	1351	802	0	0	0	18376	0	0	24924	0	0	13992	0	0	0	0	1088	0	819	0	0	0	1878	0	1581	0	0	2870	829	Peptide	0.61538464	1.3076923	0.3846154
18	C19 H17 O9 N1	404.0976	404.09805	-0.13075468	404.09756	51299	47578	49084	54189	51254	34955	13928	14706	53014	166974	80568	12282	105833	26862	17500	24989	17420	79893	73895	107953	126931	157087	26226	21393	17163	40905	16891	47538	9461	10773	13314	7578	27229	10156	209172	6075	31294	17354	18346	105465	103634	21439	1811	0	436	74801	99623	726	17074	10296	53148	41509	42207	583	77963	50786	22830	25227	21922	13938	28249	78412	118535	61400	22297	74232	35897	17060	59221	66231	86715	12666	9022	5258	11197	10807	583	11628	35362	104424	28081	62201	15928	54278	60613	32642	37914	28791	33064	28911	49069	66645	43769	149326	180007	718	57330	51377	39776	51060	52082	27190	12373	25222	49892	17237	40294	0	15664	94930	Phytochemical	0.47368422	0.8947368	0.05263158
22	C19 H17 O9 N1	404.0976	404.09802	-0.18853694	404.09753	14278	10532	10922	9220	12689	10235	2646	1314	14450	53598	17495	3399	28627	6288	4604	5939	2219	21247	15912	20064	29524	44040	5502	3838	3770	6397	4811	9117	4543	1495	2538	0	6067	1980	44465	3278	7017	3300	2615	24693	26085	8069	0	0	477	23066	33426	0	2178	1414	10785	13790	11596	641	20508	15032	9790	5194	3202	3356	3571	21432	30172	21047	4175	14502	5782	3907	10462	13548	15377	0	1580	0	1218	1562	559	3828	8803	34039	9876	16395	2487	13139	16979	11569	10574	7885	6822	6950	5660	8814	8080	53101	63367	0	10771	14521	12549	16587	12962	5746	1905	5044	17771	6308	10633	0	5339	33838	Phytochemical	0.47368422	0.8947368	0.05263158
26	C19 H17 O9 N1	404.0976	404.09796	-0.23986311	404.0975	3777	5547	6180	4542	6400	5181	1841	0	7218	18878	2792	0	12452	2389	0	0	0	8909	7050	7248	10005	17130	0	5116	0	0	0	0	0	0	0	0	2438	0	19346	0	2100	0	0	6403	8788	0	0	0	0	0	13635	0	0	0	5930	4980	4255	0	9575	0	2890	2145	2587	0	0	6315	14607	8621	0	6450	3031	0	0	3455	3837	0	0	0	0	0	0	0	3848	7930	2915	6529	0	2631	0	0	4322	0	2982	2177	3279	4939	5439	17355	26993	0	5794	6866	3957	4570	0	0	0	0	0	3077	4799	0	0	13616	Phytochemical	0.47368422	0.8947368	0.05263158
14	C19 H17 O9 N1	404.0976	404.0981	-0.11232872	404.09756	69288	68948	64132	60834	66090	38192	22058	27579	80745	228560	124059	17065	127689	38493	25692	28109	27051	92371	82441	122223	182052	212606	36522	31092	17213	64845	18280	77369	18909	16212	16966	19037	34937	16804	296407	12413	37070	26696	29342	145666	180690	29078	0	0	0	85588	131612	389	19247	20783	66102	62497	47612	0	97535	61004	29626	35795	36771	25951	35029	106954	142736	89306	29124	88746	39355	24673	119773	103246	142787	19076	12470	12242	15112	15338	0	20427	45449	144105	26759	79064	20221	66978	71153	34885	46166	34940	32129	50981	41189	52271	64937	193111	186644	0	72795	68586	56995	73114	70380	35470	20543	39125	73320	34378	50275	0	20783	132078	Phytochemical	0.47368422	0.8947368	0.05263158
12	C19 H17 O9 N1	404.0976	404.09814	-0.09321415	404.09756	45199	44406	40497	45022	47740	23611	19264	17145	61922	146175	91754	14939	77435	20766	17432	20207	17975	60653	61111	95669	123494	143763	23111	21648	9707	47148	14496	60861	13003	9062	14053	12595	32500	15235	208275	12377	20867	15700	19723	94489	157776	19583	934	0	0	63963	109865	0	15775	15646	46551	47926	33667	0	70091	47033	24126	21428	18268	25971	19048	82917	106974	58876	20397	63348	24430	22432	121823	92091	153211	12756	10043	7815	12350	10259	0	12529	30754	95828	26894	54392	13549	45832	54653	26049	36971	18826	26616	56854	22053	42143	39002	133773	104132	0	48418	49193	44926	51155	46467	29146	14713	26679	53011	26319	36963	0	20966	83182	Phytochemical	0.47368422	0.8947368	0.05263158
10	C19 H17 O9 N1	404.0976	404.09818	-0.112860896	404.09756	33513	29519	26124	26514	32508	17004	7849	10353	42268	97053	65576	10739	59261	15556	10744	15931	10065	33293	38138	60337	82377	73610	13328	17880	5306	28912	8367	25029	5454	6760	7755	6511	17660	9809	130483	5829	13703	7913	13563	49589	82866	12783	0	0	0	33236	60038	0	8267	7322	26482	34302	18585	0	42640	29557	13657	12964	12645	13211	15440	41320	66995	38034	9902	43227	17858	15884	72686	48840	89938	8876	4569	4418	8220	8492	0	7630	20259	40091	12441	33544	8951	20612	38347	18041	19955	17077	15813	24298	12897	21258	24446	73231	67577	0	29044	27151	34452	43640	31601	12458	7214	10067	27919	18697	25437	0	9441	62837	Phytochemical	0.47368422	0.8947368	0.05263158
24	C19 H17 O9 N1	404.0976	404.09793	-0.19648504	404.09753	6772	5889	7956	5565	8242	5338	0	1556	8745	27079	4969	2217	14314	3592	3609	3259	0	13714	10021	7822	17354	25043	2960	2682	1963	4189	0	2536	0	0	0	1575	3568	1625	25246	0	2996	3586	3642	10886	8369	2927	0	0	0	10305	17556	0	1536	0	4793	5891	5944	0	12014	8421	3692	3116	2444	1595	4560	9773	16874	10716	3186	8353	2678	0	6444	3861	5783	1284	0	0	0	0	0	1572	6230	15340	6979	6404	1399	3923	8880	4862	3957	3606	2776	3838	2200	4946	4524	29529	34718	0	6203	4888	4836	8413	4615	4201	1971	2422	9892	4743	4272	0	3717	19426	Phytochemical	0.47368422	0.8947368	0.05263158
20	C19 H17 O9 N1	404.0976	404.09802	-0.17117599	404.09753	19207	30894	33728	28791	31645	23428	5962	6076	33346	110935	39089	4876	54854	14485	11178	12769	6198	46132	36207	46381	58229	97173	13006	14397	11922	20769	8390	19566	6174	4076	7137	3043	14359	5212	114269	5356	13187	8863	5845	55140	53586	15555	1895	0	0	48334	71221	563	4981	7122	25595	31771	24740	523	42765	35936	14484	13977	10159	8656	6801	44975	58772	45677	14480	36714	17332	6723	22665	29908	42658	5472	3979	3175	3626	5347	533	5513	19901	68926	15052	34939	7180	37660	38911	23645	21413	18693	18580	9920	15468	27766	20030	89923	111614	619	31674	29540	20570	32956	28056	16448	6875	13287	38379	13713	20964	0	8697	57716	Phytochemical	0.47368422	0.8947368	0.05263158
6	C19 H17 O9 N1	404.0976	404.09824	-0.078222856	404.09756	3991	5030	4197	5016	5798	1965	707	2334	10688	13269	11393	2012	11854	2037	1825	1755	1797	7517	7744	6435	13347	12122	2421	1086	1068	2176	737	2438	0	986	816	1550	1507	0	20558	963	1675	1935	2296	5165	12213	2192	0	0	0	4411	12742	0	1335	1580	3467	4519	4870	0	8441	7452	3333	2149	1488	2311	1211	6038	15744	11475	2409	7374	3456	2601	6634	6685	13467	1554	1482	0	0	959	0	1178	3000	0	2677	3908	944	2400	9810	2283	2046	3378	2625	4647	0	3611	3628	11004	8851	0	3332	3859	6293	9582	9617	1470	1414	2079	0	2164	5868	0	1000	14908	Phytochemical	0.47368422	0.8947368	0.05263158
28	C19 H17 O9 N1	404.0976	404.09796	-0.23902057	404.0975	6988	6868	5957	5457	4123	6269	2183	2576	5917	18178	5306	1444	7941	2501	4418	2361	0	7853	6787	5379	11094	13782	3235	2910	2119	0	2350	2835	0	0	1989	902	3525	0	14603	0	3508	3630	2426	6478	9655	2946	0	0	0	6131	8635	0	1511	0	5144	3882	4434	0	5716	2881	2773	965	2791	1458	3905	6683	8955	9360	2441	6071	3062	2546	5414	4442	5504	1748	1062	0	0	1444	0	2045	1733	11355	3945	4418	2355	2915	4911	3773	5518	2478	2702	1751	4487	5176	3042	12915	20456	0	4217	5370	2524	2417	2271	3598	1773	2194	5260	3109	2178	0	2091	10959	Phytochemical	0.47368422	0.8947368	0.05263158
8	C19 H17 O9 N1	404.0976	404.0982	-0.101797976	404.09756	15187	15005	11478	13094	17604	7879	2825	4393	21205	45968	32022	6639	35037	5657	4954	10638	6107	15895	21521	28023	39699	36304	7419	6097	1796	8816	3279	11427	3351	4096	5551	2894	6606	4640	58326	3545	6587	4404	5453	22295	43745	7549	0	0	0	15606	37135	0	4082	5152	13778	13085	10603	0	20087	20066	7684	5204	6111	8339	8293	18651	37013	23598	7972	21814	9000	8507	26233	20681	46577	4326	3476	2179	3801	3839	0	3820	9296	15549	9551	12181	3623	7850	16762	7051	9816	8575	8444	15170	0	6953	10493	37113	26468	0	14480	16364	20329	23460	17095	8594	4593	5165	13019	5706	13206	0	3761	37999	Phytochemical	0.47368422	0.8947368	0.05263158
14	C16 H21 O9 N1 S1	404.10098	404.1015	-0.10846654	404.10092	5786	5632	5432	5636	5386	6460	0	4210	5562	17220	11602	2553	16021	4610	4679	3834	5532	9857	8597	15975	14770	27893	3212	4895	4435	6013	2137	0	4658	2539	3255	0	4318	3153	32453	3564	5766	2850	0	18059	12667	5580	0	0	0	6420	12619	0	5130	1458	4492	8784	6984	0	9648	7219	4077	6894	10980	0	0	15278	4719	4472	2764	7346	4334	5800	0	9212	6164	3122	0	1502	3546	2971	0	3371	0	0	1922	3357	5545	5188	4633	0	4152	3350	3030	7002	16336	22881	10698	15014	19567	0	6484	9097	4415	4725	5196	5300	2543	6641	0	4800	6577	0	4230	12383	Organosulfur	0.5625	1.3125	0.0625
10	C18 H17 O8 N3	404.10886	404.10934	-0.100703426	404.1088	15065	0	0	0	15094	8426	9484	9138	16239	0	14653	10097	27088	5361	8505	12358	10885	20753	20988	17138	27686	35759	15025	14087	8207	7458	7298	8088	6548	5569	6925	7401	17123	8360	0	5733	12846	0	14654	23756	0	11236	0	0	0	17361	27840	0	10073	8021	16508	14807	11705	0	19918	0	6817	13564	9264	13979	12060	20934	29371	21826	7459	15471	0	0	15953	15540	21507	6925	5384	4516	3932	6536	0	5949	0	13101	13180	14316	7006	10428	19435	8784	13594	12742	8801	26700	11084	17596	26922	22531	24614	0	0	18260	13428	17345	14011	11992	9671	11259	0	15614	12145	0	7620	32277	Peptide	0.44444445	0.9444444	0.16666667
8	C18 H17 O8 N3	404.10886	404.1095	-0.07428375	404.10883	13869	15660	10528	13204	0	6643	4787	5351	0	22708	15427	5148	22803	3663	7111	7322	9202	14227	20256	17926	25222	0	11142	13223	3577	5103	4709	6705	5741	2929	6365	7636	9354	6234	30092	3260	9014	6810	12235	19074	33075	0	0	0	0	14949	26581	0	6944	6465	12000	0	0	0	0	14087	0	7390	6720	9565	11715	17916	34892	20047	6828	16926	8564	11797	14442	12958	21057	6335	4322	3329	4316	4542	0	6143	9546	9778	8299	10893	5366	8625	14971	8227	10855	11707	0	27290	0	11410	21721	19192	17033	0	14513	13827	10872	18851	12715	11326	0	9172	13122	12209	12149	0	5842	27424	Peptide	0.44444445	0.9444444	0.16666667
20	C16 H21 O11 N1	404.11874	404.1192	-0.086410224	404.1187	8478	7373	11175	8073	13111	14259	2881	10364	19118	5561	6395	12880	23066	4847	9641	6404	8847	25030	20794	8209	24622	3392	11566	7027	0	0	4091	0	7798	5005	5858	6051	5204	8125	9024	7746	8543	9397	7537	6957	14377	12978	1466	0	457	9359	19249	712	6499	10782	7250	7657	13865	652	21675	19805	11918	5440	7619	7284	6173	12852	22005	25677	7459	15008	7017	8648	17730	2563	16528	8091	7899	5552	11916	5731	742	10435	7002	9168	5904	7526	3055	0	25571	9757	4641	8318	10843	3034	0	4431	4811	7954	4965	0	7890	14272	19630	11447	11867	14159	11384	7162	13859	7870	20220	867	2512	22742	Phytochemical	0.6875	1.3125	0.0625
12	C16 H21 O11 N1	404.11874	404.1193	-0.1039979	404.11868	63533	68413	66591	62571	125884	90770	27696	58175	199966	73331	96308	58181	285474	46906	65994	39492	79679	235529	236702	112891	202086	97920	112430	46601	20908	31332	18615	37228	49838	45879	38354	31816	74853	35069	121173	48056	56658	49416	57339	64690	131704	108553	3703	470	349	61889	123353	600	33921	57567	54884	62195	106237	321	355951	203359	68228	37012	58229	71072	53588	97388	290102	233981	64015	161624	94603	65845	100042	62137	108253	36696	38990	43403	48242	30356	290	54870	53383	96493	49779	52056	14705	32829	181431	75504	46957	68134	80519	42100	15741	49079	65649	121553	80894	584	70934	113541	162572	122239	137332	98968	53675	46195	101459	52041	160734	0	18469	285154	Phytochemical	0.6875	1.3125	0.0625
14	C16 H21 O11 N1	404.11874	404.11923	-0.15476725	404.11868	72947	62365	53608	73184	119084	99590	20332	55651	175322	67295	86463	57343	279997	50959	72890	40387	73571	217716	190388	102226	183395	57096	98118	40750	18585	23897	17562	20712	37918	40920	32145	27715	61553	29164	95463	41790	55699	45939	44641	79096	98115	95358	4789	557	652	47741	125450	755	32490	54625	59933	51429	93298	373	311640	177146	63185	33326	72846	56104	39496	114901	249275	205463	66432	134363	89348	45082	97819	68764	89988	29529	32860	40552	54039	23257	412	46113	49266	82936	40909	64357	19889	29698	175319	72103	40831	61716	72636	31221	19607	27439	52764	98623	100143	900	64274	96108	123043	108239	137570	79276	50159	48510	98255	41322	136970	489	15148	222350	Phytochemical	0.6875	1.3125	0.0625
10	C16 H21 O11 N1	404.11874	404.1193	-0.12398215	404.11868	69468	63306	59234	56583	99538	61017	22636	49575	143731	89720	78135	50477	251688	40457	45509	43153	64599	180911	171372	108948	136712	83282	76137	44627	10185	19721	21220	26801	38566	36033	32971	31230	57179	28530	101852	41578	49588	35404	41426	61383	89210	91483	4120	0	519	46674	97360	0	35896	45175	59858	64578	81559	482	255205	159574	53840	30138	33764	48524	62731	62660	199011	179331	56061	120660	64839	48418	54844	40641	46382	31106	37014	29482	50534	32675	0	38180	48841	58120	38836	31713	11679	14879	159523	67817	33166	64280	61292	33998	12859	35034	69708	91228	99416	0	65770	89758	108950	124130	168327	76775	40112	46944	60195	41631	138486	0	13083	221357	Phytochemical	0.6875	1.3125	0.0625
8	C16 H21 O11 N1	404.11874	404.11932	-0.14469625	404.11868	34327	36155	24713	35062	48757	29091	10052	18908	70421	39379	50389	26432	121751	15277	22180	29600	35855	82003	80436	38128	70264	39322	40230	25624	6585	15294	11854	10825	16966	19467	16048	14745	26961	15863	50201	17125	25144	17555	30416	22780	41601	50077	1007	0	0	29085	46241	0	19464	23301	35999	29763	41205	0	101269	94321	31918	17001	14465	30710	25526	26530	107432	96887	37994	67982	33470	25942	15094	12633	26558	16753	16699	20681	30994	14466	0	19386	27173	24804	20075	13696	6764	8080	91737	32075	17247	36249	36803	27538	0	18710	28965	45385	49752	0	26198	44321	59259	85657	99492	39084	19923	30263	15239	25749	79001	0	9277	100642	Phytochemical	0.6875	1.3125	0.0625
14	C20 H21 O8 N1	404.134	404.13452	-0.113708965	404.13394	173171	153752	138176	152581	102835	76542	71360	103834	117362	468940	241817	62619	153220	68822	79722	97200	72884	141994	142043	345720	455042	304132	82031	116713	79940	280711	53769	203437	73182	76492	69529	81888	112661	70725	593351	78575	106904	69606	86851	353704	330736	71718	0	0	281	194782	249565	404	88152	77782	149755	145869	80036	597	163226	91746	57274	110365	123704	94166	117478	231890	170375	118932	49495	130014	76295	69534	359915	450954	438692	79252	79931	71531	58501	71987	0	61221	99843	164413	81875	153244	84202	182028	108896	66904	90306	80616	82592	147457	127741	149392	154114	214320	283129	881	155219	148418	78471	89107	91445	110551	58797	137103	153451	105155	82822	446	66817	150248	Phytochemical	0.4	1.05	0.05
12	C20 H21 O8 N1	404.134	404.13455	-0.08888863	404.13397	114844	114891	106479	109962	81004	57992	61105	77200	97369	328495	183644	48865	103599	44581	56774	74953	66893	99330	125889	279351	329323	224589	66231	79966	51678	200723	41831	161458	66293	55244	62272	59806	86822	56609	463260	60797	72854	51565	78671	254299	276774	52176	1332	0	0	162897	199445	0	73526	71967	115479	116162	69523	237	115209	70363	40706	90642	89816	85754	71482	186483	140322	84003	35797	104791	55909	87176	266623	352388	400654	60832	61576	55622	51694	65341	249	55491	73756	137547	68013	122240	68896	137884	85696	42689	76112	49686	56238	129201	90765	123611	120993	181294	176064	476	118771	130802	81348	70211	70234	73738	48139	96255	135502	80109	67103	0	52976	149010	Phytochemical	0.4	1.05	0.05
10	C20 H21 O8 N1	404.134	404.13452	-0.13182783	404.13394	84378	87795	79605	73487	56125	40166	32051	58309	66920	263547	120610	36811	90596	37489	39235	53309	40444	74033	76644	201710	228249	155760	43907	62845	31405	139929	36985	87530	38952	40453	44943	49865	60994	43933	311564	44185	60699	32942	45101	175257	182116	35952	961	0	0	116533	149841	0	53098	43111	86235	83763	39023	0	73268	41472	27335	56265	57023	53870	60492	113606	89344	68500	24943	59472	38046	62421	197153	223734	266861	47527	42204	40411	36229	43803	0	33776	55256	64717	42690	83685	41897	85770	59230	36216	56688	37585	41058	68391	51006	75046	83975	118310	167171	537	82661	80703	53024	55570	51439	49284	29457	63952	102645	51419	44243	0	35546	94424	Phytochemical	0.4	1.05	0.05
16	C20 H21 O8 N1	404.134	404.13446	-0.118481465	404.13394	159213	170637	157111	165955	126054	96611	61735	79053	123367	526879	243292	61713	175502	67462	79578	105999	61050	182289	191589	394027	428518	283267	90242	106966	81806	310593	56639	208224	76376	76697	78691	72867	112738	67656	628819	72646	118773	57986	73825	350045	282267	75064	3323	675	358	201601	221877	560	102496	80181	156569	143721	96711	731	154930	95835	67787	113689	88253	72017	106218	215667	197780	127837	52097	147047	91872	82282	309968	476736	433515	81286	72794	67797	65110	69211	0	56462	91028	191371	68179	153280	75650	210053	115829	67291	87933	85690	76474	114707	164418	170995	187072	224868	358670	1159	158260	157206	86222	89386	92855	94364	48923	111298	132080	105645	88121	671	73510	186326	Phytochemical	0.4	1.05	0.05
22	C20 H21 O8 N1	404.134	404.13443	-0.16881938	404.1339	32286	29312	24598	26397	28518	17793	5661	12651	30098	86650	43349	9127	31014	15938	12156	14656	13035	37380	30595	36762	74770	58818	14509	19415	13938	40686	5833	33560	9679	7580	10370	13712	19034	11563	79999	7315	21605	12153	8631	55257	50247	11120	0	0	626	50877	52764	0	10125	10265	28581	34141	22806	765	37297	22536	11245	18519	13322	8011	20000	47955	42514	30708	11362	26340	17694	9597	59564	62940	79129	9640	8295	6306	6352	7433	453	10107	17947	36743	15021	29845	10010	32239	32194	17386	19264	18467	11754	15178	25666	27546	30173	51202	76051	0	24487	28980	20687	21655	20099	17718	9995	14514	40394	20025	17577	0	13860	44666	Phytochemical	0.4	1.05	0.05
4	C20 H21 O8 N1	404.134	404.13467	-0.13978952	404.13394	6699	7344	7107	6858	6826	5568	2411	6009	8496	14820	13371	2803	12862	3760	3231	4086	4842	7626	8460	13208	21777	12647	4648	3508	910	9819	1597	6073	1985	2696	1619	2959	4030	2840	23811	3071	4382	2464	6946	9043	14932	3660	0	0	0	10194	22361	0	3500	4234	4517	7484	4629	0	13076	7692	3264	4548	2870	4807	4009	9122	10457	8489	3688	8030	3522	4978	18629	11213	21518	2990	2799	3129	1594	2838	0	2397	5006	8197	4139	8173	2843	5452	9649	3747	4575	3433	4080	6083	4697	3663	5833	11457	12732	0	6002	7811	8828	10276	8367	4149	2812	5655	9339	3901	7515	0	2093	9832	Phytochemical	0.4	1.05	0.05
24	C20 H21 O8 N1	404.134	404.13437	-0.20700729	404.1339	11728	9093	8900	10910	8654	6832	2637	4759	11950	39043	12644	4797	14928	5394	3139	8372	4319	12627	12976	15426	19599	25634	6903	8575	4395	15693	2467	10228	3855	1717	4218	3254	5400	5622	31528	4468	5287	4371	3751	16563	14293	5234	0	0	0	15749	21222	0	4010	4672	10497	12506	8345	0	12095	8886	5619	6256	5168	4970	5786	16917	16396	13514	5432	11888	7063	5969	19863	25785	24252	5813	1597	3040	4695	2981	0	3602	7994	14681	9068	10222	3017	9625	11171	6824	5522	4822	4965	4228	5043	6098	10898	23356	29841	0	12513	11685	5333	8901	8522	5594	3270	3729	9746	5353	5331	0	3239	21558	Phytochemical	0.4	1.05	0.05
20	C20 H21 O8 N1	404.134	404.1344	-0.17897965	404.1339	76820	67023	68570	57944	64622	54000	26678	34545	63892	215099	102520	21508	93472	45860	35030	36069	24816	84887	93940	138704	174557	126315	37806	54391	33016	131223	26794	83717	33453	27896	28744	30183	52794	35932	226087	23886	56390	29283	23969	144328	122163	35712	3472	800	769	104755	116181	1091	34911	26650	64443	68316	48163	1164	71278	56053	32882	41661	34576	27680	42459	95815	94164	62547	28609	72429	41555	26421	136894	165914	176900	35339	27132	19918	17610	27529	606	20648	51003	90802	33945	70841	30205	99015	68441	41226	43955	39763	39099	40046	69206	75833	66069	117481	122422	1444	67303	66076	51582	44137	49222	33900	21466	51108	76389	45648	48170	806	35690	94919	Phytochemical	0.4	1.05	0.05
6	C20 H21 O8 N1	404.134	404.1346	-0.15192237	404.13394	28672	28920	20772	25904	20707	14432	7718	16673	30060	88671	50152	9792	38153	11880	11926	19420	13120	25740	31661	55053	86352	47435	15201	19082	7304	32085	7527	25991	13689	12932	13278	14084	22144	11141	100152	12577	16411	11869	21738	42569	77022	11476	0	0	0	41664	71198	0	17487	16281	26253	28544	16262	0	31558	23062	10123	15291	11509	18797	21391	31708	40732	26799	8785	30118	17197	19080	51042	52745	103705	11344	13202	8931	6863	12613	0	9882	15855	26292	11808	25184	11196	22204	22864	11890	15505	13715	14720	25878	16864	21874	24469	47680	52063	0	24923	23445	18410	23944	24135	17593	10189	22588	29337	16658	18837	0	10848	36773	Phytochemical	0.4	1.05	0.05
10	C19 H21 O7 N3	404.14523	404.14594	-0.10935482	404.14517	0	65991	0	0	0	28032	43364	0	36526	89050	87446	0	42187	18811	47749	77594	57053	48330	58716	90668	85343	0	56573	88052	0	21478	0	0	61363	0	59991	0	0	0	93186	58035	87679	48774	0	0	0	65014	0	0	0	84312	85143	0	67381	61875	66956	0	31293	0	45488	23420	0	80451	55325	0	78365	0	44832	34582	28137	45553	38776	74879	0	61661	112198	0	0	0	48357	58274	0	46098	0	61858	0	0	50370	0	28854	26900	0	43897	0	0	75105	0	0	0	0	0	72954	63611	23617	24788	26001	70321	39964	0	61982	0	28673	0	0	43704	Peptide	0.36842105	1.1052631	0.15789473
12	C19 H21 O7 N3	404.14523	404.1461	-0.09333939	404.1452	0	51174	0	0	27981	25372	47057	61849	28609	52738	30661	36120	28211	0	37345	53705	67174	44268	46599	62709	62064	97420	48880	69227	0	23720	37503	35805	50254	40111	47917	48883	64038	50521	70983	38419	0	0	0	76901	83449	56964	0	0	0	58988	66303	0	62100	53093	0	46012	30676	0	36453	17381	19466	61126	48781	58718	51486	59827	41905	28942	0	38869	36311	0	33247	52806	0	0	40661	35062	0	0	0	37797	59140	34973	48950	0	42606	0	22379	24670	63473	35232	30617	0	0	78211	0	46609	0	0	0	0	25379	21048	18763	0	35080	48991	54469	66969	20809	0	41371	42011	Peptide	0.36842105	1.1052631	0.15789473
6	C19 H21 O7 N3	404.14523	404.1459	-0.14285955	404.14517	45883	49622	42220	40885	0	0	29754	0	25476	55104	29621	28803	28976	11896	0	54615	42852	0	40536	48939	0	0	37592	63136	24525	17157	26751	23251	33646	36472	37749	47908	0	38639	67884	0	52428	31132	58247	56482	0	0	0	0	0	52862	70205	0	51070	42664	0	0	0	0	33717	16783	0	0	31680	0	55584	46541	30580	0	0	32733	0	0	27898	41080	53507	0	36254	30827	22260	0	0	25599	40887	31954	0	0	0	29354	20579	17546	41206	32966	26799	79371	35240	54823	90463	43804	54969	0	0	0	15298	20246	20459	47080	28328	55958	45859	48910	18117	0	31534	35255	Peptide	0.36842105	1.1052631	0.15789473
4	C19 H21 O7 N3	404.14523	404.14587	-0.17109369	404.14517	15431	13980	11906	13289	6449	6534	5896	13742	9098	16149	13173	9155	10166	4433	10865	16751	15588	9842	12996	13583	18282	22001	12872	16947	5817	5734	8813	4294	8707	10212	11270	8508	14125	9755	24229	11556	14174	10222	24204	14643	22883	6181	0	0	0	17231	27142	0	12287	11568	13762	13583	8912	0	0	8265	5757	13392	8916	13820	12935	11933	13321	9305	6044	9375	0	21325	11009	11220	14585	9352	9494	7509	4448	8177	0	8038	13898	10211	11057	10717	8078	7116	9212	7374	13350	9171	8426	26544	11161	17642	29280	13682	15800	0	11452	12599	7392	10757	9655	12984	9666	16627	13949	13811	8368	0	9216	13382	Peptide	0.36842105	1.1052631	0.15789473
12	C16 H25 O7 N3 S1	404.1486	404.14868	-0.31084263	404.14847	168355	177948	185179	167142	219901	192512	159649	309519	357736	273074	190182	159617	444957	98211	263654	175269	232211	504677	495481	431485	505213	226672	328054	223160	137329	146679	65466	159142	268476	195014	192620	147248	263900	170878	498466	235108	201605	210826	167087	244585	220712	207887	7077	927	881	266975	250617	516	144297	222698	169371	159712	212452	984	742082	312506	147506	165311	299722	214942	251174	276555	417098	400811	120548	281449	199644	141599	319817	221854	258199	164410	180217	236149	137375	144378	395	201650	202585	146063	212639	156711	134705	114483	338422	204740	170147	122980	183606	135331	96091	197237	265635	191544	158402	2319	166129	295115	262830	191187	251221	234410	158394	201965	213743	176502	289311	732	125661	438436	Peptide	0.4375	1.5625	0.1875
12	C17 H25 O10 N1	404.15512	404.15564	-0.20192726	404.15503	168355	177948	185179	167142	219901	192512	159649	309519	357736	273074	190182	159617	444957	98211	262441	175269	232211	504677	495481	431485	505213	226672	328054	223160	137329	143167	65466	159142	268476	195014	192620	145929	263900	170878	497058	235108	201605	210826	167087	244585	220712	207887	7077	927	881	264176	250617	516	144297	222698	169371	159712	212452	984	742082	312506	147506	163818	299722	214942	251174	276555	417098	400811	120548	279607	199644	141599	319817	219657	255730	164410	180217	236149	137375	144378	395	201650	202585	146063	212639	156711	134705	114483	338422	204740	170147	122980	183606	135331	93338	197237	265635	191544	158402	2319	166129	295115	262830	191187	251221	234410	158394	201965	213743	176502	289311	732	124375	438436	Lipid	0.5882353	1.4705882	0.05882353
6	C17 H25 O10 N1	404.15512	404.15573	-0.22826615	404.15503	19290	19380	23495	19385	23446	14650	11082	27728	24855	31935	21995	18277	36976	22252	20656	29128	24192	34675	38519	23378	38725	21308	25696	33120	8302	12089	14303	8280	23948	28039	18963	19768	23722	17768	36057	25800	30389	16469	23339	14820	26187	20214	0	0	0	18831	32396	0	22900	24403	23418	19668	20747	323	36101	27652	15214	13497	20756	22668	30830	17520	37930	23508	13439	20576	19325	22703	19548	18730	27476	20631	22041	23292	16332	19488	0	18529	18469	5825	14754	12432	12070	11295	36398	19746	13575	19068	17346	26123	10112	19716	31511	19213	21567	0	26389	25180	15200	20052	35447	31436	15895	31092	13770	22109	30375	0	8538	38233	Lipid	0.5882353	1.4705882	0.05882353
8	C16 H25 O9 N3	404.16635	404.1669	-0.008748902	404.16635	14796	10041	8682	16509	5811	8526	9594	8673	12318	0	4107	9354	11187	0	16209	16224	15126	8418	10131	5811	2943	20064	12225	18582	0	0	12972	65379	17454	7023	26262	14739	25020	17817	5581	16899	18357	12696	13956	0	0	6924	0	0	0	0	7518	0	14559	10779	8493	15042	7290	0	9087	3738	6564	15543	6090	5673	0	0	8556	9504	0	7971	10548	19725	0	0	0	18243	16416	13818	5497	11619	0	16605	12123	0	7152	2427	0	2646	4314	0	14529	7830	12789	29646	0	0	33129	0	5499	0	15045	14784	5811	4131	0	20496	10593	10845	0	24339	0	0	10083	14271	Peptide	0.5625	1.5625	0.1875
26	C21 H25 O7 N1	404.17038	404.17072	-0.23529923	404.1703	8992	8634	7348	10322	9193	7796	0	5949	6978	19925	7863	5922	8997	2967	0	8030	5962	9156	7499	8993	19322	12527	0	8121	0	13522	1601	7938	5322	6770	4923	5244	6512	7221	18923	0	6260	4476	7770	10742	15021	0	0	0	0	8587	10268	0	6629	0	9870	7492	6548	0	5306	0	4485	8571	3603	4530	7236	11072	9348	7983	3020	9197	5212	4199	17882	23481	34664	5524	6835	10738	9408	4212	0	3094	9576	7523	6397	6136	2921	5277	8923	0	8225	7342	7038	9287	6450	6562	12458	4635	11052	0	10069	7448	3961	9043	8670	8204	5909	6891	0	8188	0	0	4771	12041	Phytochemical	0.33333334	1.1904762	0.04761905
22	C21 H25 O7 N1	404.17038	404.17078	-0.20170836	404.1703	67760	68094	61893	57538	56294	46566	24850	41584	55371	175013	99135	32060	67761	36191	32114	52126	38466	73914	66139	141163	157189	95939	46644	60525	42963	181154	21030	92177	44635	37713	36649	36882	50915	43490	171929	37204	54339	28860	39209	112997	107364	35803	2491	0	766	88184	89610	0	41531	40399	60952	70376	53469	983	62923	49996	27543	42848	35035	30218	50246	88079	69987	50438	24919	61382	41364	33108	164395	217407	222506	48501	32895	28853	26215	35689	603	29998	47598	52213	44153	53548	30177	80815	65409	38372	47280	41479	40726	49994	64040	71696	79656	72505	102996	0	61008	68236	44071	45037	49913	52196	28123	59612	61462	48631	41885	0	35507	73009	Phytochemical	0.33333334	1.1904762	0.04761905
6	C21 H25 O7 N1	404.17038	404.17096	-0.2058444	404.1703	50088	45705	41406	42932	20732	35049	23672	41029	28944	119473	57481	20456	36865	15807	23868	42002	26450	37364	44236	115782	281008	68276	26376	40717	21710	72643	18819	46288	36396	30170	31820	37290	43233	30031	136243	30780	40091	23126	32157	71671	154682	19668	961	0	0	57278	65500	0	42009	34505	44791	40793	23735	0	39077	19810	13672	40626	13159	24857	42296	46794	34925	26087	11505	27918	26559	38819	72305	125042	125955	31871	27719	30086	17097	28484	0	19947	24944	29744	20751	28380	19093	47129	24559	18584	25400	22336	23100	46742	34492	43398	52579	47775	78517	0	43429	40772	15700	17563	20284	44113	19810	49167	34330	37312	19066	0	21335	32682	Phytochemical	0.33333334	1.1904762	0.04761905
14	C21 H25 O7 N1	404.17038	404.17087	-0.19240102	404.1703	163142	169016	148203	158826	79966	77303	104208	162130	100404	332441	168946	86100	91319	61658	90723	154964	126224	108231	122324	334131	379006	260105	107122	173132	109066	326420	83910	186307	112748	120881	107122	149939	154775	105503	379763	123360	141608	90079	139557	284213	286579	71893	0	485	366	172275	180251	0	129760	121364	154817	144469	81318	521	110221	68016	54071	159601	137631	113099	151161	172304	115458	81748	56938	106742	89058	134097	285981	464696	411069	116685	113477	123303	120464	118732	316	87581	114428	137930	101362	114983	106156	181088	93595	63696	107886	85788	81633	234623	178731	167705	234917	162672	221551	839	170359	147892	65429	66358	67583	144011	83895	184690	136946	137819	67942	524	104785	108900	Phytochemical	0.33333334	1.1904762	0.04761905
4	C21 H25 O7 N1	404.17038	404.17105	-0.21125425	404.1703	15850	17556	15836	14749	10232	34758	8621	16251	11012	34774	22043	10455	13834	8479	12274	16357	16218	14946	17304	32431	41663	23889	13720	16634	10427	29161	9400	11857	12501	10887	10790	12492	15710	11367	41624	12360	15181	9973	18475	22005	26682	10072	0	0	0	21482	28387	0	15801	14398	15427	14608	10093	0	16896	9633	5944	10239	6347	9578	16330	15005	13778	12292	6836	10848	8904	16003	30160	31796	40789	11800	11073	12757	9446	9524	0	10611	14110	16853	11249	11606	8981	16705	11640	8121	12202	8276	9687	18028	15495	19408	21377	16882	29253	0	13763	16751	11801	9614	9854	14901	10168	20619	12452	11896	8198	0	8692	14133	Phytochemical	0.33333334	1.1904762	0.04761905
20	C21 H25 O7 N1	404.17038	404.17078	-0.1625482	404.17032	144218	141623	148650	125914	116719	95123	56525	120332	96270	371658	205506	62977	134503	78560	85480	116937	77066	133495	163014	368082	374239	194124	93552	133813	78176	373691	58064	186069	109399	93011	84707	93218	117740	102008	376017	87236	136937	59173	81071	274285	232989	79994	4790	1018	721	174674	153945	1008	109742	91734	133209	139201	89897	1497	107387	92465	58986	129832	99590	72772	129755	180354	135213	104077	59782	134521	88746	86332	320130	433095	423016	101027	93146	69300	77680	92375	442	75387	102520	131483	78757	99799	80872	181471	105083	73217	94757	96083	83107	102989	149225	152626	190008	160621	209656	1698	143285	149470	80668	93151	88725	120496	63567	134193	113034	105296	91889	1171	80619	149459	Phytochemical	0.33333334	1.1904762	0.04761905
8	C21 H25 O7 N1	404.17038	404.17093	-0.21718901	404.1703	76145	79352	62670	65749	36839	34686	31350	55442	40022	183498	87639	31538	53185	27031	36289	56850	36792	47002	59392	205657	206255	101243	37342	60924	31799	107603	30093	77950	47489	43106	40730	46604	57641	40608	238195	47042	56270	35473	51830	132030	246650	29255	750	0	0	84789	85903	0	61030	43152	59937	66752	35498	0	50385	28096	22797	51930	20525	37394	54502	73502	57731	46800	17735	46632	29505	50986	110121	208964	204848	45195	42000	38273	40215	44586	0	30213	47980	53179	34699	38544	29988	81820	32425	26580	39168	29517	32707	65222	59017	68344	88738	68753	107045	0	71795	73313	31558	29209	30169	51531	26632	68121	38196	45706	29901	0	33532	55819	Phytochemical	0.33333334	1.1904762	0.04761905
26	C18 H29 O7 N1 S1	404.17374	404.17407	-0.23774487	404.17365	0	0	2236	0	11889	5813	0	0	5681	1964	0	0	5421	32873	0	0	0	5842	7813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2901	0	2056	0	10527	0	0	0	4622	2895	0	0	0	0	0	2227	6214	2867	7321	0	0	0	1752	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3052	0	2211	0	0	0	0	0	2913	0	5189	0	0	0	0	0	0	0	8754	0	0	0	Organosulfur	0.3888889	1.6111112	0.055555556
14	C20 H25 O6 N3	404.1816	404.18243	-0.064642936	404.18158	121359	113376	95808	100971	49209	50073	0	147606	0	106347	0	96099	42015	34980	102300	123750	112794	44061	67599	105390	95451	182685	107901	188667	141882	43169	0	0	125130	119472	99396	114456	163938	114051	102138	121737	166314	94947	162702	118458	96687	68631	0	0	0	136335	112290	0	126069	123582	97110	0	51579	0	100896	31179	39231	163821	143751	117006	130761	82635	43917	36831	45870	46008	66507	0	0	74151	65010	122862	106830	112341	107544	89484	0	82314	124221	86085	91755	77718	97218	76515	28575	45615	135456	0	68433	230625	177147	0	261087	90168	111792	0	126948	103122	33798	21945	23385	148395	86583	177519	65244	154125	42105	0	117588	41943	Peptide	0.3	1.25	0.15
28	C22 H29 O4 N1 S1	404.189	404.18942	-0.13126862	404.18896	23306	21664	20718	21408	0	2875	15803	31775	0	12389	5475	18036	0	0	15476	36043	29451	3478	4411	19051	12976	42990	13038	42861	15210	0	13234	3584	29962	24220	24177	34107	32741	31579	17993	34077	27064	12848	35801	20059	29359	6386	0	0	0	27112	29516	0	34121	21261	21326	19921	2567	0	0	0	1849	34265	13709	24202	27085	10634	0	974	2904	2683	5801	44759	0	1799	1830	34830	38056	31564	35093	28255	0	15026	14474	22527	16519	13306	21510	10159	0	0	9989	7528	9046	40117	27212	28467	50981	18639	44882	0	21686	18818	0	1834	0	31211	12976	27542	13901	34630	0	0	21112	0	Organosulfur	0.18181819	1.3181819	0.045454547
2	C17 H29 O8 N3	404.20273	404.20343	-0.14146617	404.2027	4488	5522	6172	6199	4364	0	4223	6226	5777	1644	4100	4540	9292	3040	4881	2593	9799	7350	5179	1023	1758	5018	5796	6144	3251	0	1513	0	7059	3923	7919	5661	12811	5762	1915	5292	8626	4214	11506	745	0	4127	0	0	0	1993	739	0	7684	3311	5683	5762	5424	0	6405	2409	1820	8196	1394	1097	3628	0	6749	5401	0	7335	3497	15562	0	566	0	8614	5252	6246	873	3653	0	4711	3321	29761	3497	0	917	378	3603	3335	6188	6214	4063	10129	44363	25257	13085	10365	569	0	5867	5021	3040	3088	4031	8547	3205	1893	717	7690	4745	0	4018	15037	Peptide	0.47058824	1.7058823	0.1764706
4	C17 H29 O8 N3	404.20273	404.20337	-0.12910965	404.2027	19936	20468	19499	16529	2990	18498	2596	7052	3204	8497	35802	2213	6021	2256	4468	5942	9556	6299	2784	0	0	6735	4326	4436	4399	0	3208	281940	5866	4015	5986	5318	8001	6480	3324	5178	8080	4163	19198	0	0	5185	0	0	0	1875	0	0	4627	3165	18203	17378	3205	0	5450	1973	2185	6455	1778	595	5064	0	4001	3585	1923	6101	2976	13812	0	0	0	6059	3876	4278	1530	3837	0	3206	3903	81825	2151	658	948	341	2275	3350	3885	4402	4468	6687	1264546	794152	6272	31481	8105	0	18360	21006	2604	2049	2180	5729	3766	3515	0	4736	3498	0	4005	7209	Peptide	0.47058824	1.7058823	0.1764706
12	C17 H29 O8 N3	404.20273	404.20294	-0.08488432	404.2027	0	2492	1670	1867	0	0	0	0	0	1491	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	105490	1436	2335	1608	3078	2266	2164	0	1962	0	0	0	0	0	0	0	0	0	0	0	0	1641	0	1377	0	0	0	0	0	0	8118	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1071	0	17062	0	0	0	0	0	0	0	0	0	0	83192	89154	0	0	0	0	1574	2721	0	0	0	0	0	0	0	1749	0	0	0	0	Peptide	0.47058824	1.7058823	0.1764706
16	C17 H29 O8 N3	404.20273	404.2034	0.068256006	404.20276	2280	1514	1694	2356	0	0	0	0	0	1820	14022	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	626771	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18437	0	0	0	0	0	0	0	0	0	0	24011	19221	0	2997	0	0	2219	2079	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47058824	1.7058823	0.1764706
18	C17 H29 O8 N3	404.20273	404.20273	-0.24294607	404.20264	0	1891	1570	0	0	0	0	0	0	0	7331	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	243846	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11722	0	0	0	0	0	0	0	0	0	0	16833	5482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47058824	1.7058823	0.1764706
4	C22 H29 O6 N1	404.20676	404.20743	-0.23490272	404.20667	14175	14607	14693	14065	2456	5384	11798	25747	3109	14505	6905	14603	3333	2266	14710	21032	19291	5163	7674	21749	22763	15395	13015	22670	13379	13793	9456	4740	18492	18878	18856	18531	21192	14686	18899	20662	20144	11641	20711	16536	14335	6420	0	0	0	13975	16334	0	22196	23865	15250	11885	4757	0	5836	1901	3635	16851	2676	4882	20001	9877	2524	4093	3453	3975	7210	22139	10817	12914	14885	17743	14515	24616	19136	15883	0	13805	15547	12582	11762	5539	7574	12490	3205	4956	11049	5650	9044	17317	8568	6296	27046	11717	24156	0	14478	16497	2546	2280	2300	18185	12657	26318	7446	17483	2006	0	11983	2882	Phytochemical	0.27272728	1.3181819	0.045454547
26	C22 H29 O6 N1	404.20676	404.20718	-0.19985923	404.2067	16039	12202	12897	12231	22899	6653	3524	11705	12433	23191	16995	6205	14124	8526	0	19190	11445	13974	15391	22095	21414	17517	9275	15193	9160	41169	4237	20117	13431	13943	11933	12943	12315	16897	26976	10860	14231	7158	12867	19187	27020	9915	0	0	0	11658	18523	0	12626	10660	17844	15449	13641	0	14955	13068	8480	11804	8601	8846	12829	12907	11855	12224	5528	18021	16413	14530	42392	40972	51700	12797	11858	6762	9868	7495	0	9646	10204	8848	7011	10505	5279	15702	17116	0	12381	12213	10476	24900	13524	14264	20674	12591	16950	0	14309	16787	11399	16847	13913	12037	7723	13622	11213	15021	12745	0	9052	15136	Phytochemical	0.27272728	1.3181819	0.045454547
24	C22 H29 O6 N1	404.20676	404.20712	-0.19356394	404.2067	68006	59076	63857	60674	76126	45887	24195	48815	48313	111473	100473	32962	78409	39850	32866	66123	43908	69049	75361	133465	139573	70287	40082	74540	38860	156395	22455	88434	48461	47513	45431	42872	60341	50220	121285	54916	64684	30749	46065	96658	93585	40803	1868	0	0	65260	67908	0	57885	46925	68432	58392	60160	0	54277	48860	26885	55780	40222	33050	63118	71018	45621	45499	30515	66324	53307	45003	143491	171675	194671	52775	56136	45175	33936	43305	0	32047	53096	39804	31376	38983	32833	70178	60401	33183	53984	40900	46499	72521	63812	67426	95313	56837	86929	0	67093	63008	42340	46043	49670	62761	26173	62908	43855	60014	54524	0	35207	60025	Phytochemical	0.27272728	1.3181819	0.045454547
0	C19 H33 O6 N1 S1	404.21014	404.2109	-0.022434328	404.2101	2260	3110	3219	2930	0	0	3706	4744	0	0	0	5933	0	0	7097	0	0	0	0	0	0	0	0	0	4351	0	0	0	3289	13998	8447	8870	60649	6628	0	10618	79064	0	0	0	0	1408	0	0	0	0	0	0	7780	0	2708	2795	0	0	0	0	0	0	0	0	2998	0	0	0	0	0	0	0	0	0	0	5454	6569	7605	0	3286	0	13257	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2749	2818	0	0	0	80757	4673	0	0	5080	0	0	0	0	Organosulfur	0.31578946	1.7368422	0.05263158
18	C19 H33 O6 N1 S1	404.21014	404.21045	-0.18701817	404.21005	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	89779	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1145	0	0	0	0	0	0	0	0	0	0	2761	0	0	0	0	0	0	0	1887	0	0	0	0	0	1517	0	2233	0	0	0	0	0	0	0	0	0	0	0	0	1727	0	0	2046	3912	0	0	0	0	0	1894	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.31578946	1.7368422	0.05263158
2	C16 H29 O7 N5	404.214	404.21472	0.21928717	404.21405	1295	0	887	747	0	0	0	0	0	0	4221	0	0	329	0	0	391	0	0	0	0	0	0	0	0	0	0	46878	0	0	0	0	0	705	0	0	0	0	472	0	0	0	0	0	0	0	0	0	0	0	848	2106	0	0	0	0	255	0	0	0	0	0	0	0	0	402	0	828	0	0	0	0	0	0	0	0	0	0	0	115370	0	0	0	0	0	0	0	0	484	0	37467	24562	0	7932	0	0	1770	975	0	0	0	0	0	0	0	866	0	0	0	0	Peptide	0.4375	1.8125	0.3125
0	C16 H29 O7 N5	404.214	404.21463	-0.22003701	404.2139	0	0	0	0	0	18120	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67248	0	0	0	0	947	0	0	0	1748	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1141	0	0	0	0	0	0	0	0	0	0	0	0	0	31087	0	0	0	0	0	0	0	0	0	0	15877	9958	0	2350	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4375	1.8125	0.3125
24	C19 H33 O8 N1	404.2279	404.22824	-0.18547836	404.2278	5231	2917	3294	4585	1993	3397	3162	3712	3095	2072	3235	1713	6893	2123	1790	3053	0	6047	5920	1478	1741	2077	1874	2608	4254	0	3152	36520	2504	1922	1834	2690	3335	2287	2804	3199	4399	1790	0	0	0	1865	0	0	0	0	0	0	2820	1967	3378	2982	2430	0	8611	2500	2311	1814	2755	1359	2485	0	3841	2659	1855	5567	5815	1528	0	2527	0	2667	3068	2206	0	0	0	2492	2946	7906	1139	1807	1378	1197	2065	4390	2447	1385	1453	0	9466	11967	6540	2079	1887	0	4260	3402	0	1251	0	2222	1525	2553	4737	3352	0	0	1859	2789	Lipid	0.42105263	1.7368422	0.05263158
8	C18 H33 O7 N3	404.23914	404.23923	-0.08006578	404.2391	0	0	0	1086	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1084	710	0	0	2045	0	0	1085	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1300	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1132	0	0	0	22277	21713	1267	0	0	0	0	0	0	0	0	0	738	0	0	0	0	0	0	0	Peptide	0.3888889	1.8333334	0.16666667
6	C18 H33 O7 N3	404.23914	404.2396	0.07314437	404.23917	952	752	0	844	655	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1940	0	1054	540	0	0	2277	0	0	0	0	0	0	0	0	743	441	0	0	0	500	0	0	0	0	0	0	0	0	668	844	0	0	0	0	0	1606	0	0	1553	0	0	0	0	0	473	0	0	0	0	0	0	0	0	0	0	0	1403	0	0	0	0	0	0	0	1046	0	0	5624	27906	16346	2339	661	0	0	0	663	0	0	0	0	0	0	0	1099	0	0	1148	827	Peptide	0.3888889	1.8333334	0.16666667
10	C23 H33 O5 N1	404.24316	404.24365	-0.22574805	404.24307	26274	29811	25729	23296	4470	10874	18048	50863	1878	33888	17275	23067	2415	2158	23011	41743	27197	4524	8633	45961	36156	21245	19282	42893	27349	20673	19740	20917	42385	37793	39927	43245	54532	31772	42436	41898	53131	17000	27978	28843	7647	9261	0	0	0	21965	15648	0	48002	35113	26602	25717	5434	0	3125	1155	5548	39735	0	0	42436	9221	1853	1748	5115	3109	9589	38325	17548	32700	24239	40390	40900	44732	38643	36052	0	26334	16519	12597	14726	1829	0	18674	1390	3731	20872	10042	13728	67789	49960	7472	71112	17550	46938	0	24705	26876	2086	1763	994	39112	20647	27301	0	45561	2347	0	19972	1705	Lipid	0.2173913	1.4347826	0.04347826
8	C23 H33 O5 N1	404.24316	404.24365	-0.2687935	404.24304	29055	29587	23059	29322	1697	6649	24461	49192	1409	28206	17537	26285	1149	1330	26894	45842	29710	3146	9034	43421	32344	27888	24644	42923	27983	9709	25440	17848	43402	41321	40475	45682	46032	40187	35134	48985	48822	26708	30770	25522	10004	12685	0	0	0	17673	18854	0	51162	40972	27561	23866	5968	0	2532	706	5188	43881	0	0	40715	8678	1185	2110	5125	3130	11167	47589	7122	19611	15434	43612	44242	49009	31442	43832	0	25965	19932	20314	19974	2250	1956	17168	1854	5348	15719	10001	13220	52760	34673	10654	62236	29650	41226	0	26127	29865	1137	660	0	43046	21799	38383	0	48596	0	0	20346	1502	Lipid	0.2173913	1.4347826	0.04347826
12	C23 H33 O5 N1	404.24316	404.24365	-0.1839776	404.24307	17444	14866	14801	17002	4150	4139	19565	29808	2120	20160	13137	16452	1876	2805	15244	26842	13969	4201	9185	39047	31858	9604	17121	21471	16505	20470	17367	15902	31738	29572	22561	29566	42460	23398	39935	28624	27245	16568	18197	23501	4628	7740	0	0	0	13301	6636	0	28712	20895	16561	17305	5016	0	2892	1067	4370	28379	0	0	19272	3864	0	2521	2620	3342	6582	27050	0	30437	29603	28138	25990	39097	24424	26675	0	16678	9934	0	9984	0	931	12700	1001	1505	16663	7034	8077	53302	35071	5264	43371	6962	19384	0	19382	15606	2003	936	1616	29791	16989	17754	0	26174	3155	0	11713	3560	Lipid	0.2173913	1.4347826	0.04347826
6	C23 H33 O5 N1	404.24316	404.2437	-0.24950303	404.24304	14861	14560	15477	15840	0	2961	13493	32965	736	11268	7510	12862	0	0	15629	28625	19433	1851	4839	20528	15994	9724	12032	29368	16911	3956	13417	4844	30463	25117	27337	34957	33580	26800	14631	34100	34951	12204	23764	14524	5110	5756	0	0	0	9838	17986	0	35257	29787	16172	13865	2811	0	734	0	2229	23954	0	621	23266	6262	0	1502	1743	846	6520	30586	3525	6859	4246	30073	27739	40046	24204	28034	0	18809	10760	7771	9934	897	2051	11891	0	2189	8912	4899	6349	25976	17787	2904	36186	7755	14454	0	17219	17275	0	0	0	23753	12900	22793	0	29476	0	0	10924	0	Lipid	0.2173913	1.4347826	0.04347826
14	C23 H33 O5 N1	404.24316	404.2436	-0.22443703	404.24307	33931	39101	34923	41869	2197	6098	34903	91799	1767	35921	20452	54898	2498	4747	45356	63728	61065	3803	11306	45750	41708	24942	39209	77784	32210	21340	36794	33574	72681	98056	66319	83384	67291	73035	34646	88317	67957	38813	52000	36069	33500	13772	0	0	0	26735	27159	0	76267	80812	33440	32195	6676	0	2543	0	5135	49901	12290	30717	56868	17225	1733	3749	8377	7842	14099	67432	0	26305	19212	86820	101987	235203	74806	85912	0	49913	22175	19813	33512	7518	18774	40585	2356	5076	23518	14880	22512	60597	52670	22435	75423	21623	45266	0	33319	38992	1575	1590	2117	73683	44939	58549	0	53025	0	0	29714	0	Lipid	0.2173913	1.4347826	0.04347826
26	C23 H33 O5 N1	404.24316	404.24356	-0.21685177	404.24307	28863	25514	26519	26712	43536	20771	17129	28398	25896	32377	36845	17963	38656	16823	17911	31116	33085	23938	45619	56280	58891	33070	13327	29570	27682	76938	10978	46239	37741	30544	26179	23125	32335	30366	43481	28462	33824	18279	25608	45702	41364	18102	0	0	0	34704	20835	0	28351	24909	31984	30071	27646	0	32332	25421	14161	35469	21067	16398	41902	25823	23039	23046	12260	30915	35835	28349	82601	61464	79334	26337	22867	30905	12337	22408	0	24513	26391	24193	14359	16201	21113	35607	30982	13283	46032	22152	20068	56532	41021	50652	46165	28868	29598	0	30966	36154	20725	30882	27546	39959	16908	30070	24289	30438	22121	0	22233	24238	Lipid	0.2173913	1.4347826	0.04347826
16	C23 H33 O5 N1	404.24316	404.24353	-0.26307997	404.24304	13505	12670	19795	15830	3832	5023	9203	13658	2779	11860	13023	35241	1891	3763	12047	14045	16311	2534	4883	13325	19791	9732	10376	14996	8427	17715	22228	11615	15818	24058	16452	28839	21975	10667	19139	17314	25581	22029	20458	9629	9100	4773	0	0	0	3741	8658	0	20755	15780	12858	19509	2526	0	0	0	4267	16591	0	7433	13831	3066	0	1372	3309	4732	4214	24909	14733	20921	21112	12004	19978	126117	19085	36212	0	27911	10240	4605	5271	0	3441	6825	1920	1570	7676	7305	3607	46268	18687	7346	0	2681	12893	0	10822	14347	1951	1706	2885	34468	31488	5962	0	0	3759	0	9311	1915	Lipid	0.2173913	1.4347826	0.04347826
18	C23 H33 O5 N1	404.24316	404.24356	-0.24863753	404.24304	20425	21001	15467	14913	10120	5177	15507	16200	6305	20661	21234	14871	8244	8886	9384	25037	29564	5165	9958	22694	29428	13596	10761	33112	14438	40201	17393	17735	24883	18181	14847	24255	30965	16332	19906	23810	19324	12830	30408	11777	29804	9176	0	0	0	10895	20800	0	21904	20590	17845	20144	11831	0	7707	6231	4995	27810	8394	16220	25518	10608	4901	7509	6870	9286	9969	41566	29488	35745	50294	11965	14017	16630	27592	14181	0	9648	14810	20471	13881	7853	13329	18453	10917	6540	27885	10291	10157	58396	28591	16860	41706	13521	23855	0	19598	14475	5284	10566	13046	24035	10599	19734	8798	20430	10564	0	18840	6174	Lipid	0.2173913	1.4347826	0.04347826
12	C22 H33 O4 N3	404.2544	404.25507	-0.004860271	404.2544	0	0	0	0	0	0	0	8228	0	0	0	0	0	0	0	107517	0	0	0	0	0	0	0	41731	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2312	0	0	0	0	0	0	0	3898	0	0	17997	0	0	0	0	0	0	0	0	0	0	1127	0	0	0	1002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5541	0	0	0	0	0	0	0	0	0	0	0	0	1606	0	0	0	0	Peptide	0.18181819	1.5	0.13636364
14	C22 H33 O4 N3	404.2544	404.25497	-0.27055234	404.25427	0	0	1779	0	0	0	0	2648	0	0	0	0	0	0	0	9799	1903	0	0	0	0	0	18219	34909	6255	0	0	0	0	0	0	0	0	1744	0	1459	0	1493	0	0	0	0	0	0	0	1504	0	0	0	0	1407	2748	0	0	0	0	0	39650	0	0	104646	0	0	0	0	0	0	1302	0	0	0	3024	980	0	0	0	0	0	0	0	2282	0	0	0	0	0	0	0	0	7175	0	0	8383	0	0	0	1846	2085	0	0	0	0	0	0	0	6729	0	0	0	0	Peptide	0.18181819	1.5	0.13636364
22	C20 H37 O7 N1	404.26428	404.2646	-0.13172929	404.26422	0	2197	2744	1712	1308	0	68440	1437	0	0	0	0	0	5400	0	1771	0	0	0	0	0	0	0	0	2264	0	24274	4678	4521	1303	0	0	1664	1349	0	1249	2699	1084	0	0	0	0	0	0	0	0	0	0	0	1801	4002	1422	0	0	2093	1613	0	2130	0	0	1487	1028	1392	0	9227	6198	5068	1558	0	0	0	0	1943	0	0	1722	0	985	0	4003	0	0	37881	12603	0	1360	2182	0	1239	0	11275	8163	1606	0	0	0	2279	3228	0	0	1615	0	0	0	5329	0	0	0	0	0	Lipid	0.35	1.85	0.05
20	C20 H37 O7 N1	404.26428	404.26453	-0.1349573	404.26422	0	0	1460	1805	0	0	30629	2060	1259	0	0	0	0	0	1400	0	2182	0	0	0	0	0	2810	0	3538	0	12953	1493	1904	0	1666	1570	0	0	0	0	0	1078	2245	0	0	0	0	0	0	0	0	0	0	1275	1475	0	0	0	0	1197	0	1913	0	0	0	0	0	0	3916	0	0	2205	0	0	0	0	0	1268	0	0	0	0	1816	2114	0	0	26350	10406	0	1513	1809	0	0	1935	6043	3932	0	0	0	0	0	1820	0	0	0	0	0	0	2354	3218	0	0	2757	0	Lipid	0.35	1.85	0.05
24	C20 H37 O7 N1	404.26428	404.26456	-0.28506503	404.26416	3518	1551	2854	4248	23559	2689	39641	1926	1934	0	3870	0	0	10307	1267	0	1417	5041	4071	0	0	0	0	0	0	2035	21521	55388	3616	1110	1390	1526	1702	2106	0	2393	1795	1381	2887	0	1983	1666	2698	0	0	0	2959	0	2054	0	3174	2720	18087	0	0	0	687	0	0	0	1753	1355	2650	0	7203	9436	5924	0	0	0	1545	1896	1626	2062	0	1943	0	0	0	18968	0	4051	22419	7382	0	0	1439	0	0	2097	41390	33107	3180	2926	1823	0	1755	3798	2264	0	0	2330	1271	0	28970	1517	17107	0	0	2605	Lipid	0.35	1.85	0.05
22	C24 H37 O4 N1	404.27954	404.2799	-0.24290831	404.27945	2663	4146	2210	4206	0	0	3840	3830	0	1762	1394	3854	0	0	3496	6641	11213	0	2340	3245	0	1800	0	2104	4796	1846	5150	4318	2003	7172	3002	5558	3922	3408	1927	5080	0	3019	10840	2872	4390	1490	0	0	0	0	2699	0	4840	5201	4143	2514	1552	0	0	0	0	5384	1457	3559	6125	1830	1484	1433	0	0	2245	11372	3990	0	3831	2628	2892	4555	8345	4077	0	3385	4282	6367	2823	0	1529	1972	2172	0	8933	1980	1393	55360	12954	6372	9738	3305	4424	0	2387	2749	1291	0	1536	5907	3291	1830	1783	7445	0	0	6261	0	Lipid	0.16666667	1.5416666	0.041666668
24	C24 H37 O4 N1	404.27954	404.27988	-0.26821128	404.27942	9446	12233	9390	11284	8791	3807	6740	11970	4860	8853	9458	8620	3372	3169	5994	19170	19662	5413	13475	5761	6002	8166	2846	7261	12016	23823	8220	7786	11645	13972	8128	10917	11640	9941	5361	13290	8705	5258	24106	5221	13338	4581	0	0	0	5547	8456	0	13869	12520	10857	12717	8942	0	4721	4993	3840	17449	6698	8853	17608	3315	0	2497	2638	7108	7034	24433	17058	6880	16626	13742	12866	18303	15474	16012	0	6221	10427	11339	5639	3657	5548	9182	8654	5808	29676	6706	9208	91139	16511	17244	20987	9997	12274	0	11643	7792	5008	5801	6409	14991	6304	9676	1897	10920	6468	0	14628	3660	Lipid	0.16666667	1.5416666	0.041666668
16	C24 H37 O4 N1	404.27954	404.28	-0.050896358	404.2795	2372	1468	1609	2803	0	0	0	14227	0	0	0	8342	0	0	0	21591	1805	0	0	0	0	0	0	2944	2684	1296	4051	2497	2896	21846	15164	4670	3056	3461	0	6908	6281	2445	2045	0	0	0	0	0	0	0	0	0	10091	37140	1968	2698	0	0	0	0	0	9175	0	0	11157	0	0	0	0	0	0	7418	0	0	1949	5347	3146	16885	8621	8688	0	7920	0	0	0	0	0	0	0	0	3066	0	0	0	9729	0	0	1418	2276	0	4339	5075	1440	0	0	3453	6562	0	0	0	0	0	0	0	Lipid	0.16666667	1.5416666	0.041666668
18	C24 H37 O4 N1	404.27954	404.27985	-0.15411255	404.27948	0	0	2056	0	0	0	0	2755	0	0	0	2925	0	0	0	17953	0	0	0	0	0	0	0	1237	10768	0	1822	1399	0	2447	1580	4084	4310	0	0	0	2955	0	0	1354	0	0	0	0	0	0	0	0	2875	2622	0	0	0	0	0	0	0	7199	0	0	8061	0	0	0	0	0	0	2164	0	0	0	0	1380	2186	1937	0	0	1575	0	0	0	0	0	0	0	0	1715	0	0	16352	4030	0	8256	0	0	0	1706	0	0	0	0	12477	1438	0	0	21278	0	0	1567	0	Lipid	0.16666667	1.5416666	0.041666668
12	C24 H37 O4 N1	404.27954	404.27997	-0.21928686	404.27945	6025	6363	9474	4707	0	1232	5212	39258	0	2744	6956	32859	0	0	19318	36612	4470	0	0	3482	1678	0	3911	7101	18307	1253	6333	0	13870	20899	24878	9577	6532	6740	1420	11261	6745	13256	3200	3827	0	1581	0	0	0	6448	0	0	19654	46476	5489	5034	1172	0	0	0	0	20065	11710	0	22030	0	0	0	1668	0	1520	14073	0	1718	1248	8992	4028	15828	13717	10528	0	20746	0	0	2629	0	0	1158	0	0	4230	1197	1558	48044	8259	0	33682	0	4655	0	5040	5330	0	0	0	7110	25445	0	0	30461	0	0	5845	0	Lipid	0.16666667	1.5416666	0.041666668
10	C24 H37 O4 N1	404.27954	404.27994	-0.20307025	404.27945	2376	2786	3312	4502	0	0	2588	24641	0	2207	0	6067	0	0	2269	16959	2696	0	0	1583	2453	0	888	3531	7412	0	3859	0	7013	9232	12307	9148	6143	3134	0	9815	6998	3918	3367	1449	0	1722	0	0	0	0	0	0	8543	20440	2384	2928	875	0	0	0	0	8936	0	0	13358	0	0	0	977	0	0	8236	0	0	0	7254	5761	10529	7222	6237	0	8033	2177	0	2466	0	0	1042	0	0	2490	0	1842	26938	7233	0	23839	0	4478	0	6816	2374	0	0	0	3624	4720	0	0	7860	0	0	1579	0	Lipid	0.16666667	1.5416666	0.041666668
20	C24 H37 O4 N1	404.27954	404.27982	-0.26387197	404.27942	0	0	2346	2136	0	0	4065	1715	0	0	0	1728	0	0	0	7238	5150	0	0	0	0	0	0	1811	2238	1217	5223	1500	0	2393	4868	0	0	0	0	0	0	1765	3052	0	0	0	0	0	0	0	0	0	3228	5022	2001	0	0	0	0	0	0	4017	0	0	2826	0	0	0	0	0	0	6481	0	1613	0	2038	1209	0	2749	2298	0	2725	1848	1907	1375	0	0	0	0	0	2013	0	0	24075	3865	0	6834	0	0	0	0	1694	0	0	0	2073	2389	1405	1348	3228	0	0	2694	0	Lipid	0.16666667	1.5416666	0.041666668
26	C24 H37 O4 N1	404.27954	404.2799	-0.27261508	404.27942	11560	11976	11215	12463	10677	3777	7221	13449	5951	6549	11908	6640	4665	5278	0	20790	15333	6641	12267	13285	10188	13513	0	6876	19133	30950	8211	16785	18384	23765	17042	14069	11667	13622	6866	24234	9019	8223	17899	9927	14238	8826	0	0	0	9612	10447	0	19025	13143	11246	8993	5335	0	4765	6117	5586	18826	7039	8378	20521	5692	0	4948	2507	7649	5209	17577	23282	12561	20474	9809	20846	33563	7434	24930	0	6032	12107	20909	3437	6796	8941	9397	9407	0	40964	10595	7712	69281	16697	25259	30558	11677	9146	0	10719	8479	4577	11834	14582	19827	5136	18402	8662	15586	7078	0	16594	0	Lipid	0.16666667	1.5416666	0.041666668
14	C24 H37 O4 N1	404.27954	404.27988	-0.24822636	404.27945	5772	4834	5921	6538	0	0	3839	26124	0	0	3186	16813	0	0	12015	25296	6703	0	0	2407	2983	0	2491	7563	8559	0	8043	0	9580	18948	16694	8431	8671	7328	0	14787	9452	11575	2329	1360	0	1356	0	0	0	0	0	0	12502	53594	3913	5775	1454	0	0	0	0	15951	0	0	0	0	0	0	0	0	1499	14227	0	2341	0	10333	8226	22238	13743	13077	0	11909	1972	0	2692	0	0	1461	0	0	2831	1866	2887	37812	14507	0	40056	0	4816	0	4119	7002	0	0	0	10663	12110	2043	0	16416	0	0	3335	0	Lipid	0.16666667	1.5416666	0.041666668
10	C25 H41 O3 N1	404.31592	404.3164	-0.18838553	404.31586	1506	2086	915	0	0	0	0	1061	0	0	0	0	0	0	0	14240	0	0	0	0	0	0	0	16778	4303	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1522	0	0	0	0	0	13950	0	0	10005	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3672	0	1128	0	0	0	0	0	6666	0	0	38704	0	0	26021	0	0	0	1781	0	0	0	0	0	0	0	0	8155	0	0	4039	0	Lipid	0.12	1.64	0.04
16	C25 H41 O3 N1	404.31592	404.31625	-0.18000463	404.31586	0	0	0	0	0	0	1047	5082	0	0	0	1454	0	0	3348	6387	0	0	0	0	0	0	0	0	22003	0	2743	0	4220	3259	8052	0	0	0	0	2134	2880	1136	0	0	0	0	0	0	0	0	0	0	6174	3033	0	0	0	0	0	0	0	2044	0	0	11132	0	0	0	0	0	0	0	0	0	0	1822	0	0	0	1621	0	5087	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1939	4273	0	0	0	0	0	0	0	Lipid	0.12	1.64	0.04
22	C18 H12 O11	405.04523	405.04572	0.004102216	405.04523	4741	6090	4996	3307	18162	8999	0	0	17657	1759	0	1612	30160	11756	1280	0	0	24995	12602	0	1775	3265	4650	1387	0	2178	0	0	0	0	1131	0	2969	0	2712	0	2185	3496	0	1369	1560	2451	0	0	728	1379	3920	0	0	0	5947	4966	14962	0	14613	16233	7654	0	0	0	1290	1894	38137	21286	5298	24456	3943	0	0	0	0	0	0	0	0	0	717	1357	9865	5919	9013	2942	0	0	33894	9612	4985	4485	4793	1792	0	0	1586	6459	4776	0	3490	4680	12260	24028	23170	0	2108	0	1262	0	15767	0	0	35298	Phytochemical	0.6111111	0.6666667	0.0
14	C18 H12 O11	405.04523	405.04578	-0.12884295	405.0452	5574	3800	5700	8169	24632	6068	0	0	32933	0	3347	2205	43621	9638	1988	0	0	22242	20217	2135	1968	13302	4189	3021	0	0	0	0	0	0	1547	0	2595	0	7045	0	2496	3444	1229	1200	4828	5998	0	0	0	1615	5438	0	1704	0	7421	5395	15861	0	17938	23435	10059	0	0	0	0	1193	52764	33498	9866	34090	6568	0	0	0	1244	0	0	0	0	0	0	1776	8412	0	8687	4186	0	0	31773	6610	4969	8508	6832	0	0	0	3042	28212	7152	0	6818	4664	20405	39727	34250	0	2402	0	0	2082	22734	0	0	41418	Phytochemical	0.6111111	0.6666667	0.0
18	C18 H12 O11	405.04523	405.0458	-0.039194427	405.04523	6191	5383	5308	7438	32269	10360	0	0	21536	2257	2153	3286	58192	12392	3813	0	2443	27935	23435	0	0	11519	9270	2006	0	0	1516	0	0	0	0	0	0	0	0	0	3673	2975	0	0	3896	4461	480	0	461	2543	2897	942	0	0	7036	5060	18959	269	23455	30457	9464	0	1337	1819	0	1877	60882	28797	9416	39761	9582	2749	0	0	0	0	0	0	1444	0	375	1377	12647	7153	10560	4197	0	0	44627	11744	8862	8269	8583	2753	0	2186	3239	14428	8875	0	7635	8447	19900	46965	36590	2922	3294	0	2250	2179	17982	0	2106	38114	Phytochemical	0.6111111	0.6666667	0.0
26	C18 H12 O11	405.04523	405.04556	-0.1566595	405.04517	5538	5554	7779	6058	14380	11386	2462	0	15134	2077	0	3240	35661	9766	0	0	0	26926	18947	0	0	3376	6425	0	0	0	0	0	0	0	0	0	3711	0	2808	0	2725	4535	0	0	0	0	0	0	0	0	0	0	0	0	6705	4700	9239	0	24585	11206	5303	1749	0	0	0	0	40495	20852	2943	21039	3393	0	0	0	0	0	0	0	0	0	0	3069	9436	0	14600	0	0	0	23833	11618	8443	6768	3995	1879	0	0	4158	2721	0	0	5959	0	9902	18469	21303	0	0	0	0	2945	12259	0	0	39235	Phytochemical	0.6111111	0.6666667	0.0
28	C18 H12 O11	405.04523	405.04562	-0.15367456	405.04517	6910	8114	8593	7124	21473	9186	3132	0	14366	2668	1120	3468	36246	14124	5721	2582	0	30211	22254	0	0	4285	6352	2309	2100	0	2264	0	0	0	3628	933	3241	0	1462	0	2793	5298	1346	0	1675	2975	0	0	0	3448	3271	1484	2084	0	7239	6474	13755	0	21687	15043	5859	2821	1605	1385	3399	1092	35633	17895	5661	25766	5000	2122	0	0	0	0	0	0	0	0	0	3526	14704	0	13100	0	0	0	30540	8736	10095	6385	5099	3950	893	1625	3880	4220	4774	0	8565	6851	8306	14349	21489	3342	1451	0	3012	1632	14931	0	2591	39172	Phytochemical	0.6111111	0.6666667	0.0
16	C18 H12 O11	405.04523	405.04572	-0.11909019	405.0452	6073	7190	4679	6828	29849	10533	2152	2400	34662	2466	4248	2627	64379	10051	5120	1940	0	25657	26939	0	4641	15455	6059	1567	0	0	0	0	0	0	0	0	3082	0	4619	0	2540	2325	0	2509	5803	5541	602	0	0	3084	7577	490	0	0	5238	10248	18270	0	26729	27530	13281	0	0	3390	0	3498	65051	30474	7243	38105	9783	3316	0	0	0	0	0	0	0	0	0	0	11505	8959	8982	2390	0	0	41908	10637	6157	11127	12195	0	0	2040	0	21206	8195	0	7962	6264	21266	50240	41831	4316	1894	0	6428	0	31037	0	1608	62063	Phytochemical	0.6111111	0.6666667	0.0
20	C18 H12 O11	405.04523	405.0457	-0.10746027	405.0452	6644	7129	3861	5294	27006	9169	0	0	23956	2138	0	2666	43970	11045	2266	0	0	23340	17770	0	0	8374	5449	0	0	1779	1787	0	0	0	0	0	1715	0	2005	0	3144	3849	0	1311	2016	2959	1025	0	378	1821	0	2103	0	0	8349	4858	14445	0	18762	25721	8567	0	1537	1256	0	2374	44341	22510	7320	21674	6000	1891	0	0	2496	0	0	0	0	0	326	1744	9779	6184	9942	1940	0	0	39628	13351	7693	7575	6637	0	0	3057	1973	6736	5128	553	4241	5363	16856	35262	38827	0	1717	0	1313	0	22817	0	0	46662	Phytochemical	0.6111111	0.6666667	0.0
24	C18 H12 O11	405.04523	405.04565	-0.09470495	405.0452	5720	4317	5153	3899	16157	10416	0	0	12948	0	0	2315	34550	7494	3341	0	0	24722	20221	0	1938	6399	6116	2120	1379	0	0	0	0	0	0	0	2008	0	0	0	1460	2761	0	0	0	2150	0	0	0	0	2122	0	0	0	4140	3909	7539	0	20230	14832	6861	986	0	1019	0	1633	32156	15982	4295	18052	3524	2068	0	0	0	766	0	0	1202	0	0	954	11394	1620	10166	2094	0	1171	27805	9297	6803	3061	6063	2193	0	0	2223	4056	3006	0	4528	3372	8059	20280	21335	1240	1789	0	0	0	14507	0	2398	35108	Phytochemical	0.6111111	0.6666667	0.0
12	C18 H12 O11	405.04523	405.0458	-0.020874875	405.04523	5012	3204	4291	3205	12806	2232	0	0	14101	1922	2112	0	19000	1342	0	0	0	9117	11897	0	1684	13314	2231	0	0	0	0	0	0	0	0	0	0	0	2241	0	0	1304	0	0	0	2219	0	0	0	0	0	0	0	0	2049	3974	4196	0	7790	11156	5045	0	0	0	0	0	35428	11707	3027	21036	2657	0	0	0	0	0	0	0	0	0	0	905	2726	0	1754	1212	0	0	18362	2991	3121	4423	4447	0	0	0	0	16769	4703	0	3815	2800	15320	25029	17712	0	1179	0	0	0	9998	0	0	25435	Phytochemical	0.6111111	0.6666667	0.0
8	C13 H16 O9 N4 S1	405.07108	405.07172	-0.02054861	405.07108	1249	2254	1679	1901	0	0	0	0	901	8468	8730	0	1208	0	0	0	0	0	1347	0	0	7773	894	1624	0	783	0	13663	0	0	864	892	0	0	19242	0	0	0	1079	0	4819	0	0	0	0	1931	4278	0	0	0	1699	1955	0	0	1448	0	0	0	0	1185	0	1990	1110	1175	2107	1040	0	0	0	0	1962	0	0	0	974	0	0	631	1439	34368	715	3131	0	0	0	0	1579	0	865	3356	0	0	0	19581	30223	0	1712	1883	0	741	0	0	0	0	0	999	0	0	813	1399	Peptide	0.6923077	1.2307693	0.30769232
20	C19 H16 O10	405.08163	405.08206	-0.113574006	405.08157	49349	46705	44683	44015	84029	51423	12102	8832	91171	65345	29758	15460	162162	52252	22888	16173	9769	114305	98813	47171	55107	84078	36598	18444	15102	21462	12992	21441	8276	6483	11870	9566	22522	8630	77019	6358	22230	20217	10226	39784	26176	23833	3371	996	767	40667	67181	1743	9309	6682	40627	47284	54584	1048	98131	91222	38194	17020	18266	9228	17150	36309	166257	90372	35464	105194	31983	8279	30221	26877	31957	9622	4968	2976	6956	6511	900	12040	51646	47494	38732	51009	9872	29294	104370	52265	39059	25910	30634	14662	16989	29176	26879	90240	78923	1210	45253	38529	66212	96477	91633	19986	13640	14584	43931	15922	71699	1012	15040	159192	Phytochemical	0.5263158	0.84210527	0.0
10	C19 H16 O10	405.08163	405.08218	-0.10761662	405.08157	42913	42129	33341	39945	49846	26544	11383	11051	70428	92671	76036	20391	76151	26368	15038	22318	16231	51968	64696	52521	75105	71383	27056	18785	4053	17800	13574	27987	9485	7136	12005	12949	19596	9907	106514	9842	17037	17630	14510	39361	62707	21634	957	0	0	30061	71908	0	15699	12729	43456	37025	34229	0	54625	51384	26654	19094	13406	27176	24045	33641	92887	59494	29160	61782	27470	24058	49592	37821	70371	13006	7622	5455	14284	9892	0	13161	40808	45981	32306	33471	7529	12866	75777	26191	29836	25703	21421	27617	10875	16809	23065	80347	72388	0	44942	36846	64587	72390	62683	21365	17678	14067	41015	20037	54019	0	10512	97406	Phytochemical	0.5263158	0.84210527	0.0
16	C19 H16 O10	405.08163	405.08212	-0.087355375	405.08157	115370	123292	111330	111295	190574	106843	30528	36394	210049	240415	155439	37987	319683	78153	68271	48890	37896	232155	242551	165524	183851	235475	81824	44014	35285	50299	28737	75975	33594	21197	30419	28099	64549	28257	296317	24608	55838	54604	30239	116653	120686	59508	3676	865	837	119765	170271	1702	37981	33139	107827	116496	124497	567	201187	159595	77465	55605	46519	33915	54460	99125	315147	186855	69070	223016	87092	28710	94547	91494	124992	30515	27297	11010	26703	26688	682	36837	111363	161262	80659	126102	29913	63213	192366	90579	97811	76318	78312	61985	53198	87780	67034	232415	237420	1026	113668	107246	143902	185013	190812	58356	38257	46050	108588	54833	143995	860	36251	318996	Phytochemical	0.5263158	0.84210527	0.0
26	C19 H16 O10	405.08163	405.08203	-0.13214585	405.08157	10604	8176	7642	7421	23702	9784	1809	0	21765	14894	3906	3008	48399	11267	6495	0	0	36834	28290	9565	8143	14771	8971	4828	0	0	0	0	0	0	0	0	3022	0	19661	0	5986	5131	0	6699	3638	0	0	0	0	7885	9646	0	2364	0	9057	9548	13709	0	26556	21444	7052	2864	0	0	0	4398	37976	24976	3599	23768	6432	0	5181	6579	9040	0	0	0	0	0	0	2802	14330	6042	10551	5881	0	2361	23670	13125	8482	4756	6780	2660	2472	2029	4941	12915	25639	0	9529	8107	15120	19492	18723	0	0	0	7352	1982	13346	0	3876	42528	Phytochemical	0.5263158	0.84210527	0.0
8	C19 H16 O10	405.08163	405.08224	-0.111722395	405.08157	17182	14754	11857	15726	21278	9624	2613	5115	31190	31949	32399	6667	29122	8527	4533	8967	6853	21449	28122	23036	33624	24154	10103	5799	1216	5186	4788	5817	4686	3162	5279	3265	5691	3092	43457	3009	6132	6638	7117	9906	24404	10979	0	0	0	12288	26752	0	6097	5055	12290	17042	14517	0	23874	26543	11565	4610	4528	11969	6653	11406	43661	28972	11341	26593	12141	10796	20660	13210	32820	4958	3896	2152	3524	4040	0	5187	18783	14961	12388	9088	2567	3126	32983	10293	11369	12429	11266	13015	0	0	12232	28099	20789	0	15778	14707	30317	41311	28386	8223	5181	5202	8388	8597	27860	0	3233	35108	Phytochemical	0.5263158	0.84210527	0.0
18	C19 H16 O10	405.08163	405.0821	-0.09706799	405.08157	84864	87417	73772	82910	152133	96794	26839	24819	148214	185069	79824	21519	264054	81567	50455	36063	15757	204863	187281	108425	123119	174321	60389	39871	32244	42649	24009	48996	25858	18014	27156	18180	48358	18244	191292	17372	49530	40927	17654	86891	73203	49064	4748	546	862	107513	111901	2128	23691	22137	92148	77344	96421	1048	198182	130094	64183	40187	35393	22193	40128	67784	277653	138398	61868	180486	70992	26067	63884	67127	74434	22728	14718	7027	17799	21550	1098	28416	80671	94584	70032	90221	17980	34966	170117	90817	71707	56037	59624	30940	46169	66240	48882	136629	168198	974	92423	72131	122660	150082	139328	41574	24092	33996	78156	37106	115534	832	30728	238148	Phytochemical	0.5263158	0.84210527	0.0
12	C19 H16 O10	405.08163	405.08218	-0.10036685	405.08157	72899	79161	81021	87853	105556	47016	28445	28896	107509	168001	148475	29547	130552	32182	35524	37203	28069	112512	113457	119027	131233	185163	55483	37854	13086	32360	25964	70109	18822	20130	23941	24000	35836	18159	238703	22723	37041	33351	27350	71593	149481	37186	1796	0	0	74486	142871	898	26222	26321	81037	82476	68888	355	120726	93556	47385	44156	34063	37450	45615	75495	204689	102504	40249	119289	51436	27946	102270	66786	124789	21923	18538	16067	24049	21035	0	26811	75260	132115	51265	81040	18937	29207	113092	47693	62440	44799	44414	50512	25224	52480	42408	164722	147190	0	86496	84576	119559	116493	108475	40651	31430	34081	105734	34848	88099	0	24849	144682	Phytochemical	0.5263158	0.84210527	0.0
14	C19 H16 O10	405.08163	405.08215	-0.09424964	405.08157	126477	129821	118143	112373	153192	86131	34605	38706	168437	269973	182007	48663	260686	67825	50994	47459	42603	178408	172847	158004	202077	260097	70346	47580	28148	52428	27059	76658	27035	26409	31345	27984	53416	28754	339013	20428	61358	53731	33047	120211	150895	59238	4472	354	474	116969	192349	1051	30970	27981	115278	100746	100582	487	173798	141966	73694	54380	63650	45153	51080	107154	289829	172588	63187	185014	81205	38045	111447	101329	143182	31223	24684	11730	31195	29643	548	34351	93286	160536	81017	115954	23762	51453	173817	87893	78037	73519	74417	58030	40258	71230	76692	243149	217375	607	105373	105405	140836	181483	169485	52817	36297	49023	139164	53382	126333	511	31728	226643	Phytochemical	0.5263158	0.84210527	0.0
24	C19 H16 O10	405.08163	405.08203	-0.09212726	405.08157	10642	14869	9681	13377	29219	18547	2134	1445	27977	20043	7465	4787	65194	16661	7890	1935	2209	37961	29793	9647	15548	28439	9982	3089	5204	7590	1320	2153	1246	0	1244	1412	3472	1969	22791	0	4087	4621	1556	8732	7689	3470	2273	0	0	11181	13748	0	1889	0	13614	12157	19619	0	44986	31225	14178	4124	3767	2791	4056	11367	63187	34032	9166	31349	7034	2331	9186	8082	15458	950	1008	1327	1223	0	0	2340	20071	15058	12854	9654	2446	4519	38494	12586	9768	5492	7344	2208	3583	3320	2164	20907	32848	0	12442	12229	20200	31313	29001	2772	2656	3582	12133	1831	23978	0	6230	61858	Phytochemical	0.5263158	0.84210527	0.0
22	C19 H16 O10	405.08163	405.08206	-0.11033911	405.08157	24122	19843	19235	22103	50729	33610	4551	2497	55470	35116	11331	4112	81078	23603	10639	4545	3884	69179	46716	24209	22931	50062	15050	7368	9610	12388	5893	7728	3437	2385	2070	0	6950	3297	35408	2311	8897	10430	3929	13290	17502	10155	2864	0	906	19452	29795	0	4324	1817	21406	23704	29285	986	61860	49022	21099	9001	7292	3478	6007	15200	95692	51254	15212	59449	18146	3699	14519	13791	15541	3434	1413	1573	2712	1561	1238	5505	33082	29159	23393	21745	4426	11502	67535	36297	16155	9385	13297	4614	9768	10246	7558	44269	63974	0	17299	18960	36101	58276	52761	8478	7700	4155	18744	8571	41734	0	7470	82343	Phytochemical	0.5263158	0.84210527	0.0
28	C19 H16 O10	405.08163	405.08197	-0.16189978	405.08154	7678	8252	7961	7509	17238	10583	3386	0	15686	13608	3974	3336	35078	9582	5927	2045	0	23811	18948	9877	7931	11271	7320	3934	3591	3368	2975	1767	0	0	2817	2573	3767	1195	12830	0	4068	5401	1130	5474	5866	3734	0	0	0	7425	12009	1670	2133	0	9613	7786	10726	0	22928	15660	5183	2978	3262	2641	2418	4518	28045	15408	6222	17449	4042	2851	6753	7576	6782	1219	0	0	0	944	0	2707	10120	7673	11159	5607	2020	3481	19557	10743	10133	5635	5705	2723	3905	5675	4208	12124	15814	0	8091	8215	9648	13227	15331	2038	1415	0	6271	2957	13077	0	2518	25077	Phytochemical	0.5263158	0.84210527	0.0
14	C18 H16 O9 N2	405.09286	405.09338	-0.09676379	405.0928	35994	29120	29679	30966	30485	17165	8329	11354	42142	61919	35775	13199	56929	13374	13553	11256	21464	40442	41613	35229	64569	93322	17585	19674	7291	10198	10333	10620	4485	5581	6502	9825	20599	8447	80104	4903	20825	11229	22727	54569	97000	18425	0	0	0	37975	70785	0	10738	7080	28557	25466	25303	0	50421	32840	16461	17310	15887	15737	0	58362	68250	34513	15909	43843	18499	20369	30051	25247	44694	6284	6096	3820	12747	5748	0	8174	25232	61756	15794	38274	8501	22264	42390	17458	24840	18279	19170	48955	11100	27009	32616	77825	62246	0	32510	26051	23705	37141	30431	20053	12421	12934	50967	19139	26348	0	11109	70039	Phytochemical	0.5	0.8888889	0.11111111
12	C18 H16 O9 N2	405.09286	405.0934	-0.08271374	405.09283	27721	27042	30434	32495	27837	17642	9144	7487	36953	53545	35419	12058	51585	10952	11535	13494	22010	40212	39093	31549	61993	88509	19225	14534	6739	9228	7944	14119	7342	5876	7832	8991	19721	6508	70238	4719	16953	11796	20399	49966	103401	16710	282	0	0	37723	68492	0	8857	5482	26408	29350	24821	0	50683	32051	14661	15705	15051	14806	0	47765	78904	44587	13628	45467	20950	24849	39015	25848	49304	9776	3793	2712	9922	9622	0	7995	20829	37252	19559	33503	8976	14076	40797	17749	23573	17438	15676	42594	7564	20139	33871	79389	45767	0	25991	20057	31168	39331	34978	15603	8936	12772	27364	20435	26616	0	11229	72109	Phytochemical	0.5	0.8888889	0.11111111
10	C18 H16 O9 N2	405.09286	405.0934	-0.12049495	405.0928	21341	31209	19724	23776	32412	10729	4264	6054	44841	43176	31452	8543	49032	6888	13151	18839	18278	35870	31366	39899	48614	66079	19589	17879	3393	7728	6453	9970	14228	11006	11761	12820	19805	8010	73511	4310	19348	10118	23790	33862	76656	14882	0	0	0	23859	58494	0	7368	6677	27209	21246	16714	0	39254	31508	10193	20836	7914	11626	9160	31441	55105	36808	11080	37289	12255	19777	26305	17915	33626	12028	5275	5301	7864	8895	0	9928	17309	20539	14648	23965	4676	10322	32596	16400	19879	17988	16085	37844	6291	16512	30645	52719	43726	0	27261	19935	21235	35053	38657	8646	6832	8262	46598	14282	21523	0	10978	57978	Phytochemical	0.5	0.8888889	0.11111111
8	C18 H16 O9 N2	405.09286	405.09348	-0.08870013	405.09283	13843	12531	7635	11891	14239	5787	2141	4133	21025	25447	22175	4676	31880	4608	2756	4837	7963	15728	17296	13984	33421	25968	7874	6306	1346	2142	4559	3039	1353	1956	4617	3720	7641	1703	39297	0	7158	4243	6105	16107	37579	5753	0	0	0	14788	36889	0	5157	2365	10117	11165	8996	0	20514	17644	7163	4729	3176	6246	0	17008	42183	26328	6282	20488	7418	5770	15254	7112	25799	1922	3218	2052	3292	3258	0	4355	7211	8159	5683	9615	1608	5724	19359	7052	6704	8337	8165	10407	0	6031	9283	27275	17158	0	12158	12320	16685	25659	18816	7314	4247	3594	9670	6179	15323	0	3563	34390	Phytochemical	0.5	0.8888889	0.11111111
18	C18 H16 O9 N2	405.09286	405.09332	-0.11958721	405.0928	43957	49047	34699	33492	37286	27202	12188	9886	41900	112062	66710	8604	58690	19282	18559	19636	21336	45451	63698	39736	59138	95342	38238	22277	11618	74107	9634	39354	0	4462	7440	8308	27458	0	109129	10144	27147	15578	21208	56582	79556	20128	1294	0	0	37237	65942	0	7226	10558	34989	40704	31034	0	50472	38175	24043	21555	13349	21372	12126	65247	68306	37306	20637	39989	26076	16174	73844	52744	111233	8969	5660	3642	5552	0	0	10902	26392	68154	24133	38912	6542	35344	54703	28354	33848	32696	26044	39662	18552	24896	44973	95375	92360	0	45751	45330	44811	37179	37470	24754	11548	11276	27238	27337	25755	0	20837	76709	Phytochemical	0.5	0.8888889	0.11111111
16	C18 H16 O9 N2	405.09286	405.09335	-0.0857145	405.09283	20953	25312	26341	31737	32874	22491	8141	6873	33800	58889	34310	8953	55427	8248	7975	11756	22712	37870	43531	37183	52701	76058	20603	15842	12375	48854	8844	19469	3973	7895	12284	6606	13843	4456	91317	4010	15189	14043	13895	45325	59106	19016	407	0	0	39885	54627	0	12385	8536	22935	29824	26122	0	26248	28315	14970	15189	17755	11690	11534	40756	51227	25150	11474	41218	18873	12829	35456	50312	63461	3428	2645	1925	5147	8752	0	8039	27567	48712	18924	30541	8873	22741	31181	18479	30519	21017	18475	26238	12537	22070	0	63374	65293	0	31287	25494	21487	24955	31033	14087	10582	5761	21127	16917	20229	0	11859	55774	Phytochemical	0.5	0.8888889	0.11111111
24	C23 H16 O7	405.0969	405.09726	-0.045230545	405.09686	3662	1077	1364	1830	2700	954	0	0	2812	7017	7835	0	1788	1201	0	0	0	5931	3724	6792	2500	4080	0	0	0	14508	1588	5197	0	0	0	0	0	0	10779	0	0	917	1115	4636	7586	0	0	0	0	3640	5588	0	0	0	2787	3601	1152	0	1164	0	1056	0	1352	1444	0	4850	3873	1362	1384	1516	2977	0	15454	11264	23516	0	0	0	0	1079	0	0	1701	3653	1902	5272	0	6483	4841	0	1021	2092	1550	0	1702	1472	0	7811	7005	0	2951	1253	2263	3946	1994	1503	0	0	1622	0	2996	0	969	5178	Phytochemical	0.3043478	0.6956522	0.0
22	C23 H16 O7	405.0969	405.09735	-0.1510989	405.09683	8091	7891	4504	6705	7434	2084	1459	0	5240	12801	15647	0	5288	0	0	1359	3838	7403	7024	11954	11452	8201	2191	1395	1709	34955	1933	12869	0	0	0	0	1942	0	23794	0	0	0	2149	12571	15528	3348	0	0	0	11917	16612	0	0	0	4651	2903	3840	0	2779	2577	2832	0	1276	3313	1712	6814	6353	5135	4471	4972	5236	2129	32237	25276	46154	0	0	0	1687	0	0	0	3051	10743	4305	9155	2397	6111	6350	3298	3802	2524	2225	2638	2502	0	2772	18486	13794	0	4616	6206	6843	4880	4264	1420	1362	3172	6450	1734	3798	0	3637	3503	Phytochemical	0.3043478	0.6956522	0.0
20	C23 H16 O7	405.0969	405.09732	-0.19303961	405.0968	28926	24938	18322	20988	17682	12680	7108	3152	23778	67512	50832	9116	29758	10932	10142	12472	14962	28776	41010	28642	45652	67154	13560	12590	12634	78436	10734	26630	2762	3708	3116	4719	14588	6002	82412	2718	10040	12740	13378	28874	46864	13054	0	0	0	25986	63622	1116	7542	10302	22178	19342	23484	0	30986	24216	12812	10218	6826	8262	7530	27368	36176	25828	10716	29026	15512	17086	71964	67564	98042	2488	2954	0	2848	0	0	5470	17546	61282	20986	28716	10562	29516	35640	18644	19140	15022	15278	25998	17070	20704	26958	67010	59940	0	21266	18570	22740	30208	20622	9188	11728	13822	16128	10232	23626	0	10176	37788	Phytochemical	0.3043478	0.6956522	0.0
12	C24 H20 O4 S1	405.1155	405.11603	-0.09152726	405.11548	0	0	3629	4875	4711	5727	0	3147	4176	6873	0	2599	4653	4829	3465	3422	0	4447	4158	4327	3196	0	4944	0	2292	7396	4076	0	3479	2076	3670	4090	3999	3354	0	4053	2213	5880	5515	0	0	2846	1965	0	0	3212	0	0	1916	2922	4321	0	5066	0	5511	1989	3478	0	9511	0	0	15213	3107	5300	3693	4436	3329	0	0	8494	9928	4669	3517	2727	24520	3485	0	5608	5079	0	4885	5412	2674	5748	3207	4895	4593	2713	3145	0	3320	5425	2232	0	2367	0	3238	0	5200	4957	2877	3710	3860	0	0	7923	5891	0	3077	3604	Organosulfur	0.16666667	0.8333333	0.0
8	C20 H20 O9	405.118	405.11856	-0.14246543	405.11795	50397	58168	33551	53562	30569	21007	25043	36314	39624	197678	70285	31212	39731	20442	24851	44531	39599	37312	48900	162440	93269	54156	35514	44890	12201	100452	27529	39813	26352	33197	31042	35182	32800	29796	249526	26663	27470	32473	44146	58235	154492	22908	959	488	654	53777	74235	348	34937	35353	44027	49204	25428	611	47706	33996	22504	34926	27949	44567	44805	40067	0	35936	22444	36419	23878	48651	89911	84778	139261	35749	29146	29373	17685	33867	586	25995	46029	30304	38044	70826	26856	35524	46707	22552	39346	21913	28338	46709	19404	31117	38004	43620	111730	1050	50714	47488	40538	93646	41021	39635	28412	48294	34374	30235	37494	0	27332	43333	Phytochemical	0.45	1.0	0.0
24	C20 H20 O9	405.118	405.11838	-0.14587761	405.11795	36993	34635	29537	36562	45758	30549	7010	11812	47055	87385	27422	14141	93396	22949	19519	17387	9043	60493	49958	54541	58182	55780	20045	16889	10642	40252	6697	22427	9969	9058	11486	7520	13114	6850	96068	7729	16727	13762	9637	32550	27443	9331	3718	0	0	36704	43140	2005	11902	7545	31764	29820	26891	0	58279	49338	21003	15276	12845	8042	15229	24607	88413	54430	16253	58642	22797	8363	40636	75717	80186	10589	9138	4776	7355	10121	0	10423	35569	30144	29980	30559	7555	25265	59637	29529	25105	12600	18551	8170	15240	18406	15209	43617	78146	0	31266	29331	36894	47655	49640	15451	11830	16494	28085	13593	33065	0	12651	89074	Phytochemical	0.45	1.0	0.0
20	C20 H20 O9	405.118	405.11844	-0.116326325	405.11795	188232	194473	195092	166968	211061	176925	69737	102174	258629	488389	191399	62895	391150	146918	118640	106533	55483	294586	272725	368202	323902	258856	131056	118380	102068	277990	63613	147901	94624	71524	80197	86082	122106	86636	512064	64109	143115	92383	56476	253627	173743	86989	9689	1522	1982	242098	224935	4002	98846	76681	178916	195271	161604	2261	265284	201886	110140	111530	105289	52281	100399	185604	366181	230016	100104	240869	133081	58286	243953	390718	313699	93302	79312	65335	49926	78269	2324	82257	156163	149496	126302	180216	81768	179091	254544	132244	132697	91663	112410	66806	121025	149082	145909	191651	249621	2392	196403	188365	205979	207570	206172	110982	71500	104485	179186	100039	179139	2391	80127	367470	Phytochemical	0.45	1.0	0.0
6	C20 H20 O9	405.118	405.11865	-0.11311822	405.11795	13210	14395	9271	9525	8544	6588	6230	10940	13041	28716	20035	8149	12922	7473	9428	13227	11328	11276	11599	19918	59004	14478	10955	12338	4143	11864	7356	11221	8510	8949	10436	8916	9658	6393	50712	9702	8263	5716	15225	13196	46110	6489	0	348	721	11781	21609	467	10479	9322	12758	12705	8542	480	13590	10522	6781	10413	8878	13917	9666	7340	13846	11697	6865	9333	8189	14348	23413	21363	38390	8377	8757	9938	4626	8932	478	6259	11770	7772	10761	9898	7389	5803	13535	7530	9764	7892	9287	13907	4213	9145	11315	11038	12380	721	14186	13176	9407	12930	14192	7299	7606	9680	10641	10266	10345	361	7123	12987	Phytochemical	0.45	1.0	0.0
28	C20 H20 O9	405.118	405.1184	-0.20540014	405.11792	11501	11411	11572	11988	17100	10535	3542	6558	20800	25038	8955	4214	37657	11505	7187	6677	3968	27178	20680	24925	25080	17543	10129	5886	5607	18798	6600	7801	4616	5321	4120	4165	5983	3470	30062	6688	8104	5857	3451	10257	11425	6522	0	0	0	16286	13864	0	6213	5292	10740	13656	13551	0	21987	19313	6374	8786	4752	3022	10137	8202	30378	13956	8185	26945	8103	3935	22299	30507	29412	4666	5799	3157	2766	5251	0	3815	13453	10337	11679	8135	5731	10851	21199	8873	10640	6536	7996	4902	8619	8446	6635	12027	23149	1470	12680	11970	11705	21115	23293	5444	5268	7351	13611	5136	13465	0	6323	24726	Phytochemical	0.45	1.0	0.0
12	C20 H20 O9	405.118	405.11856	-0.07703914	405.11798	287798	306530	291227	268144	182248	123659	153661	206150	470530	642451	447413	146262	450636	96948	147472	201352	173116	495934	276456	1087298	1066982	398966	181098	220356	103137	770178	138834	308385	159398	158581	158450	181102	197300	165670	774936	160141	182632	159149	177585	757110	456739	125715	5809	1076	887	671032	446815	1240	196994	184934	281799	292978	166041	1150	475086	168491	115493	206939	194732	200215	300457	574216	616032	200447	89683	211147	141133	178102	528779	1154938	1392232	186388	175044	163576	143542	175668	827	135851	219156	277715	198647	546026	143984	460634	436408	122679	188332	122600	138641	217155	168042	198019	205597	290793	679974	2020	298246	283783	237480	184834	170789	206150	130819	215650	311076	161717	182372	611	136140	561708	Phytochemical	0.45	1.0	0.0
26	C20 H20 O9	405.118	405.1184	-0.15762924	405.11795	18859	19579	19122	18042	31985	19447	4141	7593	36968	46265	11026	6989	59837	16722	8306	6347	0	35603	33115	36890	35741	31750	13861	11227	6303	20864	2608	10630	5422	0	5743	0	8318	4758	54907	0	8966	8209	4465	25286	14849	0	0	0	0	18882	26756	0	9241	0	18805	18724	14795	0	34420	28732	13790	7557	5653	0	9729	18044	50439	33789	5814	36393	11270	4866	29396	56871	50112	6645	6110	0	0	3106	0	5253	18178	16868	15859	14454	3018	12185	34684	13209	16731	9117	11258	3369	8321	9960	9942	20999	42512	0	18765	23597	22511	34034	29905	6926	5067	6301	14626	6196	18805	0	7053	54847	Phytochemical	0.45	1.0	0.0
8	C19 H20 O8 N2	405.12924	405.12982	-0.14782082	405.12918	107278	104382	84346	101934	66131	45000	40978	75796	79041	215630	122277	53569	106317	32329	51913	85268	72905	75338	100142	181918	228669	199730	62059	87738	32189	53931	43918	79077	65510	55624	57453	69491	76506	62020	307694	54458	81583	47774	80978	191749	254249	50005	814	0	0	167444	273640	0	82243	64986	100715	103430	54301	0	95415	64354	35326	71572	54672	76321	82766	132857	122455	85991	39819	80946	53239	90878	120676	130312	210318	71519	59526	51296	47001	57076	0	47571	69946	106535	54119	117013	46581	91042	76631	35988	66011	51631	55472	111723	66359	96589	111605	163768	181360	0	109604	98775	59991	80700	64822	79568	45212	102803	116620	73664	54953	0	47063	115446	Phytochemical	0.42105263	1.0526316	0.10526316
4	C19 H20 O8 N2	405.12924	405.1299	-0.1731084	405.12918	8898	10896	9105	9146	8004	4689	2732	8671	11554	15746	15123	4722	14604	5404	4491	7169	10191	10701	10083	11907	23845	16280	7105	9476	2282	7285	4135	5743	4689	4770	5569	4287	6969	4103	24777	4920	6612	5015	11534	12492	26564	4987	0	0	0	12690	30306	0	6180	5638	9086	9102	6342	0	13253	10495	3913	7750	5146	9537	7145	11268	17885	11647	7633	11570	4535	12450	14744	11027	20360	6320	3799	4241	2832	4022	0	4647	7434	6777	6267	10850	4161	5866	14056	5704	6057	7750	6484	12102	5266	8743	12659	14420	14744	0	8693	12277	10821	14863	13793	8909	4880	8834	14569	7397	9265	0	4350	17121	Phytochemical	0.42105263	1.0526316	0.10526316
6	C19 H20 O8 N2	405.12924	405.12985	-0.16435647	405.12918	45082	48512	48180	46763	33253	19547	19715	34530	48088	99113	63184	26909	53287	13922	21872	43889	36494	40870	50235	67657	113949	88838	30492	39174	13649	24552	17512	39228	26727	26025	28171	33459	41352	26656	119660	28729	39651	24132	50254	63995	131677	22782	0	0	0	64080	129979	0	38765	31313	46307	42215	30658	0	53234	36365	19915	41457	27370	47495	36276	58501	71388	44499	18417	41541	29060	49724	52962	53067	94945	28008	28676	24323	13195	22381	0	21083	30845	38474	26564	42635	21256	33499	42966	22181	32653	30427	28199	63557	25322	43096	64719	70782	76026	0	44296	45991	30121	42870	49981	42054	22998	45403	64592	39446	33535	0	22847	63758	Phytochemical	0.42105263	1.0526316	0.10526316
18	C19 H20 O8 N2	405.12924	405.1297	-0.15145548	405.12918	75506	56381	58010	63198	51022	50102	46622	40223	50798	89325	58943	29476	77724	29499	40783	56951	38964	60019	66335	64415	75028	104618	45066	55723	40770	31105	41672	33761	35341	32569	39053	36841	69207	37805	101869	26279	66139	48670	46593	83308	75017	40610	1734	0	0	63885	55887	0	51148	37144	54517	47728	51169	363	55914	40599	42306	55811	31708	20116	48701	63077	72426	45271	34607	62610	50858	49321	37576	62443	61577	32372	22702	16952	30329	29673	265	36483	66880	60624	60566	49672	27226	46973	46974	36229	71356	42989	41668	51385	52213	71497	104301	66376	88626	0	56377	39415	40890	41994	47460	57448	28697	42545	42327	59408	37084	0	48846	74404	Phytochemical	0.42105263	1.0526316	0.10526316
22	C19 H20 O8 N2	405.12924	405.12976	-0.047773685	405.1292	12126	8784	12016	10710	15450	11830	8146	7650	9686	23420	6276	11268	13150	0	9338	9118	10814	13628	20268	8812	23144	23808	13458	9346	13172	6750	8914	8452	0	6100	10618	0	16950	5562	23478	8152	12694	4830	5250	19340	23126	8210	0	0	676	7894	17226	0	11222	8102	12454	12206	16058	1090	15700	10944	7824	10030	9948	6536	9406	14424	6810	23586	5940	9910	11594	9014	6388	9998	9634	0	4266	5783	6274	5604	552	6726	20868	15620	10424	14724	8364	6920	16480	10354	6824	10176	9034	12612	11096	12662	25888	25610	24624	0	13314	7136	8612	12660	8044	8170	8338	7348	14418	11706	10388	0	10714	18056	Phytochemical	0.42105263	1.0526316	0.10526316
24	C24 H20 O6	405.13327	405.13364	-0.19831328	405.13318	7368	5534	6619	7509	7503	4298	0	0	9375	19222	24784	957	4656	3659	1763	3195	2175	4401	10848	12394	13016	7107	2279	3173	0	57312	1433	24751	1213	1539	2336	0	1719	2425	16125	0	2482	1644	2490	13176	22049	2839	0	0	0	11252	17458	0	1587	2014	8233	7687	4730	0	4265	3920	3620	0	4066	3519	2509	10856	5909	3970	5841	6106	5413	1709	64203	33243	61555	864	1805	1310	0	1539	0	2613	4671	14113	4069	10464	3611	12345	9365	4299	6060	5709	4890	3652	3300	3270	2353	13166	11270	0	5845	7996	7531	8553	5861	3810	1328	2065	8537	2164	8247	0	2061	3660	Phytochemical	0.25	0.8333333	0.0
22	C24 H20 O6	405.13327	405.13373	-0.081414394	405.13324	7873	11454	7814	11163	11746	2738	2438	4972	12041	30217	46745	2659	6482	8052	3402	5157	4146	10723	9437	22154	28233	14764	7167	5713	3412	90436	3572	33540	2754	2177	0	0	3010	2203	28261	2425	2662	2948	5279	18516	32015	7625	0	0	0	14147	24616	0	3984	2728	10573	11922	8043	0	9912	9363	9481	2592	2971	5535	5437	15961	8901	7198	4671	10125	12867	3032	85722	64315	110531	2227	2245	1734	2127	3846	0	2802	9169	18015	6882	15102	4183	22216	9682	6371	11357	6149	8000	6118	7355	7583	6722	18307	19492	0	8625	11659	11939	9001	8654	3486	2163	4610	14667	5859	10600	0	5062	4965	Phytochemical	0.25	0.8333333	0.0
6	C18 H20 O7 N4	405.14047	405.14108	-0.21607807	405.14038	9910	9167	8110	7220	5134	3831	4805	10165	6890	7091	4787	5670	5986	2024	7738	13045	8120	6074	7401	5617	9276	15054	6452	11383	4882	914	5457	3703	5587	5967	8699	7516	10201	6949	9342	7088	9628	5745	14685	9457	11516	4900	0	0	0	8088	9563	0	10467	8272	9095	10558	4270	0	7431	3773	4493	10412	5994	8338	11098	5262	7236	5115	3566	7114	5089	16242	0	3548	4173	7207	5305	6557	3499	6354	0	4499	8759	4661	6952	4313	4480	5381	4549	5085	7874	6009	4115	20302	6902	11382	23031	5299	6670	0	10046	7263	3222	3821	4141	8024	5304	8051	0	10326	3824	0	7566	9363	Peptide	0.3888889	1.1111112	0.22222222
18	C18 H25 O5 N2 S1 Na1	405.14548	405.14578	-0.30398005	405.14536	260118	221148	221938	184334	161676	128256	153336	98286	131847	556161	819304	118580	188888	91622	76304	98666	51824	191998	231188	470418	1036780	408970	113906	149842	87560	1350256	64914	329880	106392	71870	74094	82844	103266	70512	648344	55658	131126	63646	155420	467336	820788	154500	8048	3504	0	285360	290338	0	186656	80544	195088	214374	215106	0	157360	96664	145106	218211	106408	281862	219108	407072	160202	199954	67550	209452	125546	70584	712908	845692	998190	59050	38720	46734	36903	65144	0	46202	129162	304502	85480	212838	95594	690302	157600	74882	107474	96188	117010	303332	258322	683800	230638	369922	555584	0	181388	420350	208526	118880	115197	220617	131734	173146	174756	211266	151500	3856	95274	190810	Organosulfur	0.2777778	1.3888888	0.11111111
6	C16 H24 O10 N2	405.15036	405.15103	-0.060248625	405.15036	19745	22536	21423	18730	10239	2978	8478	5353	22953	23061	14028	14858	15103	5617	12441	18254	15565	13551	13551	16662	24669	29988	15594	25986	8430	7386	8022	8820	16574	4508	13877	21079	24477	8374	22629	15534	18939	12256	25504	23892	33204	11167	0	0	0	18321	22932	0	5908	19172	21037	28683	9387	0	12571	11315	2996	8139	11858	15906	24631	15060	14375	4353	3605	7120	5366	25832	8835	17214	20313	15652	16565	19426	18123	15316	0	11924	16031	0	16896	9912	11052	13968	4001	13953	16304	12323	12552	26700	0	4721	46942	18669	20139	0	18014	18926	6726	9542	11225	20431	13020	21519	0	20990	3439	0	11671	20598	A-Sugar	0.625	1.5	0.125
10	C21 H24 O8	405.1544	405.1549	-0.17654268	405.15433	281472	251680	233358	223926	131602	58982	193512	315892	90595	355018	252436	197528	157002	53474	190206	297204	219578	143396	97353	202804	198665	275320	208432	329282	80400	456966	215908	95771	228554	253652	234332	260210	131234	100422	390270	260626	237366	195510	244500	303454	162921	54773	5762	2513	2570	280232	302694	1997	252064	256560	272430	258882	129774	2331	188984	70121	50082	278508	108215	120174	164523	166428	168258	153720	50647	140818	61936	276914	205056	470868	554952	244880	235496	261070	112315	258750	2415	169456	261824	78978	233864	231442	244792	182910	183906	59844	240906	105426	64667	269992	92320	111961	144423	181088	139048	3876	266184	263842	78204	152740	74236	220988	92777	147118	106179	210256	67843	2382	212608	177396	Phytochemical	0.3809524	1.1428572	0.0
26	C21 H24 O8	405.1544	405.15482	-0.16661106	405.15433	44712	38345	42237	38768	50221	39859	16332	32243	55111	82223	35062	20172	85480	34401	32993	32853	22129	75238	72228	77309	89749	42679	43620	38898	20364	65634	11998	30228	31140	25889	29636	24713	31029	27312	98867	25732	35149	20857	22170	52845	40962	19990	0	0	0	38836	45526	0	28799	25920	43818	40226	36896	0	67440	49108	29190	33530	23983	14475	38282	31024	75194	48460	16446	60851	21774	19791	68057	116451	108136	33564	26129	22808	17927	24726	0	26010	45990	22868	38298	28671	20287	29698	52242	21004	37777	29909	24881	20815	28169	29999	45105	23900	50458	0	38180	45679	34892	58891	53912	34908	19869	34549	25007	26785	26226	0	24698	79631	Phytochemical	0.3809524	1.1428572	0.0
22	C21 H24 O8	405.1544	405.15482	-0.11995235	405.15436	296996	293828	275936	294702	296775	254224	110593	234643	340746	710784	279072	145906	411241	193930	220472	191432	124640	449807	346504	640768	585280	331404	242231	252689	191347	474144	102811	239153	215877	166459	199408	210913	243770	207884	701465	181740	295568	180784	133741	362626	254782	149962	15033	3871	4897	321311	253914	5751	195803	185043	281882	286340	239072	5047	398894	272386	153972	233493	192796	102463	214361	265274	460027	312497	119925	349186	197955	130003	405940	851711	607991	218262	176105	181868	110913	180369	4245	178120	274045	140023	230544	213709	145056	237165	315534	186497	233444	154383	186229	161451	267112	286190	282524	198647	302793	7739	254506	288800	232202	289347	247724	211363	149493	221217	189140	223654	240455	5018	160661	500784	Phytochemical	0.3809524	1.1428572	0.0
24	C21 H24 O8	405.1544	405.15475	-0.1471323	405.15433	101980	94193	95643	109106	119576	81024	34213	72064	121090	200941	81300	50344	203958	61198	69526	83168	46917	147307	150986	167196	172670	102464	86513	87197	57693	139568	34633	71799	60665	53646	51454	60956	70581	61341	211840	60031	88665	53610	52101	109605	87762	50808	7155	0	0	99453	96625	4046	67738	57927	92456	100047	84011	0	139809	105965	54265	77385	61701	39772	85594	85785	161740	112971	47148	133347	72057	49538	148196	246368	227080	69940	67365	51747	39913	57614	0	56392	100755	46831	93573	70108	37910	71007	144824	65983	91558	52406	60613	52391	73794	71125	101231	62632	114469	3426	98509	93378	79298	109204	123324	69208	51127	69211	61915	64192	83753	3961	51945	173123	Phytochemical	0.3809524	1.1428572	0.0
6	C21 H24 O8	405.1544	405.155	-0.20082332	405.15433	25274	26556	11118	27888	5479	6135	9272	15163	16140	28952	22318	9765	12076	7756	11423	16604	13241	7967	7702	29866	31320	25934	11239	13802	6903	25808	9074	6379	13213	15618	11288	10731	11588	8622	33058	12192	9357	10384	15115	9533	28694	8169	2127	1155	1878	12704	17031	1573	15511	13733	30468	25796	5870	1527	10918	7393	6161	13097	9642	11827	15580	7393	17282	5103	6002	6500	6934	18342	14506	25932	21268	10481	12704	14035	5654	16759	1721	8772	13338	4320	10313	21800	20880	9277	8267	7303	10608	6951	6815	13972	5526	8960	11088	16960	26136	1875	22788	11119	5613	7745	10287	12656	9355	14219	16480	9520	5813	1526	8624	7573	Phytochemical	0.3809524	1.1428572	0.0
8	C15 H24 O9 N4	405.1616	405.16223	-0.042858575	405.1616	25171	28250	25938	24973	0	2866	33250	59760	0	13309	9597	48940	0	0	36378	39829	53437	2382	5188	13563	9916	13315	36277	55479	22997	445	24836	5993	45346	57598	58123	62255	37266	51443	15834	67540	45029	41151	60188	3435	4937	6274	0	0	0	22112	22419	0	58211	64682	25358	20199	2497	0	0	0	5303	33250	4333	15679	37442	1223	0	1534	6912	2937	6221	66165	0	0	0	63600	75104	75005	53130	64057	0	40361	32511	6720	32088	22260	16185	2150	0	4657	15143	11677	10888	29455	0	0	34236	2194	3186	0	22909	25514	0	0	0	38160	36446	28136	0	30154	0	0	34728	0	Peptide	0.6	1.6	0.26666668
4	C20 H24 O7 N2	405.16562	405.16632	-0.16822875	405.16556	27508	24490	23836	24582	15497	14123	10727	23043	17464	43106	22535	13598	27763	11914	18990	25376	22146	22720	25732	47529	52770	43583	20118	25961	14121	25575	13066	16525	20751	16156	17371	18579	23059	15974	62871	19238	21591	17431	26388	39039	40418	13128	0	0	290	30576	39879	0	23460	20066	24814	21797	15216	501	30933	15903	9931	21856	14660	18189	27316	24537	24430	21921	10051	20764	12934	23626	30032	35715	41143	17559	13973	16847	14726	16627	0	14977	21910	28040	19776	19151	16757	20410	18110	12261	19600	13585	16775	31456	29826	31497	38025	26815	42248	871	25188	29115	12669	18578	18089	23700	14174	31172	25955	21175	13099	276	15972	25850	Phytochemical	0.35	1.2	0.1
2	C20 H24 O7 N2	405.16562	405.16632	-0.22331002	405.16553	8560	9191	8863	9291	6517	0	7113	10865	7312	11158	8587	8958	9884	3767	10256	4267	13104	7809	8510	8716	19123	14122	10139	9252	3736	6562	2771	6638	10110	6753	8413	7261	11129	8101	17027	8528	8841	7302	12810	10983	18568	6428	0	0	0	6694	12739	0	9406	7608	10274	8743	7869	0	11455	7114	4408	8955	5011	9400	5008	7738	9033	10149	3213	10209	7307	16727	9569	10450	14129	8372	8797	6979	1693	8004	0	6872	11315	8644	8983	6158	6272	5649	6058	4664	10820	7244	5732	24779	7853	12100	16470	12453	4853	0	9441	11028	5913	6194	6316	7273	7232	8650	7528	10357	5269	0	7678	9338	Phytochemical	0.35	1.2	0.1
20	C20 H24 O7 N2	405.16562	405.16602	-0.22879604	405.16553	27639	26348	29402	27491	23023	25138	23654	29094	20770	33687	19343	17863	28596	13360	26244	28539	18419	28749	35101	28318	39784	36115	28508	41250	29917	10850	15373	21293	24603	22686	26134	23780	33549	27606	43357	19274	36782	21776	17339	36410	25240	12375	538	592	548	26550	23044	0	25425	18544	24477	36374	18458	330	21351	10717	13682	31536	24616	16081	30482	25536	21788	15084	8194	14912	19881	14894	12362	25532	25061	21107	21557	16431	15728	21879	739	19568	25962	18097	19011	17853	19512	20290	15072	13389	26577	21900	21506	28220	42575	44032	66144	28357	29567	489	28281	26416	12467	15776	17052	28325	16835	30416	20802	40097	14199	663	28489	30574	Phytochemical	0.35	1.2	0.1
22	C23 H25 O5 Na1	405.16724	405.16806	-0.09092765	405.1672	45429	35575	33607	28637	40571	22155	22916	37000	30073	47414	55480	17419	32668	11753	23961	37795	29260	23967	43714	52267	53806	42556	27094	44243	27376	121731	9586	51508	33360	19444	27639	24583	38415	27591	62741	20059	36032	19881	35084	51833	55411	26112	0	0	1788	34883	30616	0	30731	22035	35273	29809	31618	2730	28190	24909	21334	31263	22681	21701	35151	38161	26936	18677	9468	27999	26215	32983	112161	100958	147344	23444	23091	15694	15616	22103	2367	19418	30832	32947	31680	24354	29811	34986	23497	17661	45807	28014	19155	46263	43697	39713	55781	21698	45559	0	37561	36261	25724	31363	21828	44431	23578	33019	19467	36318	30981	0	27206	32110	Phytochemical	0.2173913	1.0869565	0.0
20	C25 H24 O5	405.16965	405.17007	-0.1251096	405.1696	15128	12240	11294	10245	11775	6682	9714	11381	6767	16123	21430	9131	7286	9306	9369	10980	10829	11492	10409	25497	19300	14027	7377	12839	10130	62888	7953	20232	9990	8344	7231	10566	11055	8828	20431	4600	7588	8362	11313	15182	21660	7671	0	0	0	9021	15314	0	8532	9473	13282	13917	9808	0	9257	10294	9299	12438	8513	8988	10851	7751	7388	6527	5907	11244	11422	12228	47050	57470	80864	9907	7811	6276	11525	9065	0	6057	15490	11784	12108	9764	9403	18261	13074	10349	20153	7769	8144	18715	9397	10771	17268	12941	9679	0	16095	11083	13528	8946	6043	9249	5635	12603	7648	9561	11850	0	8128	8288	Phytochemical	0.2	0.96	0.0
26	C25 H24 O5	405.16965	405.16995	-0.14315984	405.1696	5026	4858	5279	4662	6689	3194	2453	5812	6616	9409	20432	0	8166	3803	0	5527	0	0	7053	12381	14121	5330	0	0	0	35123	0	13309	0	0	2602	0	4325	0	9229	0	4041	2901	2901	10235	20075	0	0	0	0	8335	10399	0	3243	0	6182	5863	3675	0	4495	0	4118	5278	0	3660	5647	6893	5319	5182	0	7261	6469	2995	47594	27093	38830	3536	0	0	0	2646	0	0	8312	6421	3917	8945	4252	11252	6603	0	5450	3492	3471	4401	2226	3350	8889	9863	0	0	6813	0	6683	5775	9045	0	0	7137	0	4876	0	0	3817	2709	Phytochemical	0.2	0.96	0.0
24	C25 H24 O5	405.16965	405.17004	-0.15327927	405.1696	19417	16178	13226	17428	18675	10712	4020	13314	14504	21577	38371	5502	13419	9768	7190	14845	12803	16993	16830	25186	27405	15885	9907	14359	10044	128911	3983	39834	9487	7445	9810	8599	11033	6254	30357	8853	9898	6489	10747	23620	39357	10275	0	0	0	22981	23816	0	8406	11635	16264	18314	17334	0	13338	12862	13413	8806	8890	10993	9515	23538	14734	8524	7889	19953	22390	8206	106884	71771	113463	7402	6752	6132	8217	10711	0	6469	20965	19010	13258	18512	9636	29893	21641	13673	16728	10743	13132	10265	7488	8091	15035	18618	16268	0	15404	20939	16045	18323	16093	10649	7756	13705	13769	13386	15592	0	9444	12698	Phytochemical	0.2	0.96	0.0
8	C19 H24 O6 N4	405.17685	405.17734	-0.33197814	405.17673	10378	10912	9079	11612	3536	3358	6351	12554	3279	10241	5326	8777	2151	2230	8507	14809	8932	5317	6859	7100	6060	14912	8937	14382	11529	1727	5400	14500	8662	8005	8381	10390	10556	7392	9902	10978	11978	7951	12448	8731	7538	5061	0	0	0	8144	7623	0	11966	7760	0	10006	2905	0	4140	1430	2940	16738	7857	9028	11361	5235	2031	2876	2432	4150	3791	13547	0	3205	3046	10157	9096	8644	9429	9784	0	6339	10601	33997	7186	4762	8114	6433	3202	0	10359	5535	4834	23941	63521	50433	25302	16563	8919	0	11914	11857	3136	1561	0	9319	6585	13238	0	10089	2442	0	8625	3209	Peptide	0.31578946	1.2631578	0.21052632
4	C19 H24 O6 N4	405.17685	405.17752	-0.18330042	405.1768	3268	3669	3662	4073	1506	1999	2912	6378	1639	3514	0	3095	2503	835	4022	4638	7671	3347	3044	2460	3467	7578	4684	7256	4451	1063	3715	4006	4489	4160	3539	5010	0	3700	3655	4446	6677	3461	11405	3824	4299	1608	0	0	0	3918	4946	0	6305	5419	3379	5138	1910	0	2437	1925	1605	0	2890	4251	5757	3216	3423	1436	1147	1392	2539	10083	0	1904	3187	4431	2586	3516	3932	3349	0	3462	5611	25235	3987	2492	3699	2508	1900	2095	4532	2204	2292	8245	13815	9393	9894	5327	3409	0	3835	5321	1537	1215	1805	5004	3499	4006	3475	5469	1659	0	3270	2876	Peptide	0.31578946	1.2631578	0.21052632
20	C19 H29 O4 N2 S1 Na1	405.18185	405.18225	-0.16386075	405.1818	5779	9626	8458	7393	6963	5684	4762	9392	5702	11976	7003	4210	8244	3134	5375	8030	4302	7704	5269	21421	21942	9498	7981	6855	3141	21063	3641	7211	8086	6263	7299	7775	7470	5152	15638	7945	9029	4016	5299	12814	8421	4177	1574	0	0	10271	5690	0	9663	5242	8362	6268	5494	0	5301	5256	3409	7980	5638	3124	5848	6473	6956	6131	3478	6605	5677	5867	22668	37640	30797	7150	5387	6984	1980	5305	0	5195	7777	4843	4766	4782	7779	0	6860	1858	3244	7353	5001	3849	4556	4206	10100	4678	4410	0	5836	11059	5504	3944	5912	6121	4237	7101	5507	5478	4197	0	4875	9155	Organosulfur	0.21052632	1.5263158	0.10526316
18	C19 H29 O4 N2 S1 Na1	405.18185	405.1822	-0.21006678	405.18176	22068	14866	18812	18904	18806	10720	19760	14862	10116	47938	23978	19162	11313	13358	10850	20606	11928	16152	12248	20618	45762	15124	22040	22406	5001	37575	16296	16952	0	13072	18906	16260	19490	13602	31622	14056	22448	16830	23790	16394	26210	11924	0	0	0	19048	14578	0	22728	19512	16212	19946	6255	0	12398	6102	11152	12416	9868	18830	23868	11346	4727	13350	10048	17324	8897	7936	60844	71292	88720	15710	14898	9056	10760	5287	0	8015	23222	3382	12797	12740	17144	11786	15931	8288	21120	7290	10588	27294	21510	10440	18054	8858	10827	0	13360	14965	11196	20054	8780	15397	9092	23510	13384	12441	16370	0	11913	11203	Organosulfur	0.21052632	1.5263158	0.10526316
24	C22 H28 O7	405.19077	405.19116	-0.14410058	405.19073	331276	320130	302264	332658	303855	263482	137266	295876	322215	637059	292110	164775	510741	187655	251968	279288	180328	467641	459585	664799	624764	350192	260742	336007	226506	487474	121079	270657	286725	247788	251718	266964	320835	247834	709041	281592	431931	202387	186624	407156	274725	165670	13842	4477	6725	301222	219408	5021	298789	229550	315771	329109	246331	6001	431246	282999	155794	332982	261902	124626	325488	250339	441663	309259	119887	406454	221496	177399	464243	876751	688356	278167	276004	255091	159852	239099	6009	214133	311616	139323	236795	174146	183991	237406	302883	182248	279099	174417	227228	199934	315187	331582	456016	186413	316969	5627	342475	330415	208098	284083	261004	296081	179381	317854	190585	274587	201102	5788	183899	485679	Phytochemical	0.3181818	1.2727273	0.0
18	C22 H28 O7	405.19077	405.19122	-0.10302193	405.19073	1748097	1659631	1555917	1473691	1285921	927079	1025301	1626183	1156344	2406000	1518507	1016825	1481064	811522	1227322	1695659	1270817	1475370	1863604	2910171	2767713	1402134	1384255	1738600	1006535	3226270	1043938	1472570	1433890	1390157	1355086	1476076	1680466	1338135	2215458	1454450	1597859	1115055	1384984	1765842	1589285	1001998	30875	5838	4281	1297975	1098861	6976	1588186	1366923	1615301	1579222	1100529	7862	1569976	1195132	876133	1631971	1139137	1049530	1527754	1152639	1601922	1199774	699025	1314561	1039511	1457306	2546233	3717025	3915869	1269047	1159282	1424282	1358071	1529560	3105	992177	1656718	849407	1359974	918030	1063054	1210222	1431542	994775	1434391	948218	1076019	1383402	1456467	1539270	1865603	855346	1332778	10918	1668430	1539786	1078113	1226804	1202053	1604263	975822	1615755	689065	1240883	973901	5177	1167121	1460935	Phytochemical	0.3181818	1.2727273	0.0
22	C22 H28 O7	405.19077	405.1912	-0.10668973	405.19073	1093967	1156205	970581	1080764	953205	855118	506821	1062961	986798	2325601	1102028	569856	1080844	610584	884822	874333	548522	1371676	1173075	2394302	2301797	1166148	884883	1107286	849331	1860371	454900	1054259	1043268	844991	903752	937134	1142391	903601	2383754	973101	1312668	700549	571353	1383693	856318	618684	33842	8913	4923	999151	673080	8383	958652	824064	1049560	1088694	762974	8205	1214884	860933	544598	964512	856866	444879	986065	907797	1178269	930879	408369	997570	737281	557289	1510063	3242770	2283645	956564	778724	885870	504872	888544	5467	751722	947791	469705	800654	576300	675736	785693	887727	608756	837208	575105	766666	650639	1111383	1201054	1224565	660841	1055226	9367	1004014	1106544	692624	795681	740500	1077569	618322	1069797	575042	935520	733645	6890	627388	1422261	Phytochemical	0.3181818	1.2727273	0.0
8	C22 H28 O7	405.19077	405.19135	-0.22874744	405.19067	16836	13669	7065	14612	5189	5716	9359	14243	7291	24550	6553	9610	5281	4771	11396	12141	15911	4954	9068	30494	23158	9340	11307	15818	10619	19804	15514	5682	13732	14434	12084	15129	12774	9573	24202	12726	7860	9532	18034	23718	13150	7034	2486	1068	1746	11262	14412	1677	15669	11826	10767	12124	5491	1143	12857	6443	6840	13658	9036	14442	16795	6797	5807	5133	4386	5064	5516	18053	10920	11146	15015	11329	11666	13855	9706	16580	1254	9445	14963	4956	14399	12386	14438	10769	9530	6822	13662	5110	6738	15198	0	10631	14725	7736	23750	1980	13967	14385	7645	9412	9915	13830	12414	16875	8876	8253	5990	1111	12382	5002	Phytochemical	0.3181818	1.2727273	0.0
20	C22 H28 O7	405.19077	405.19122	-0.082646094	405.19073	1801741	1913760	1825131	1623520	1509441	1231501	994180	1785600	1527327	3423647	1754351	1033213	1918807	1004348	1477513	1689875	1092346	1880319	2247590	3956745	3642641	1759925	1408721	1877396	1211462	3684405	958420	1732143	1654592	1517557	1379350	1595053	1814609	1477104	3501869	1438172	1965776	1183676	1134084	2237778	1692597	1099725	38659	10500	5045	1528918	1245013	9667	1621830	1430399	1782992	1840748	1285303	9505	1857115	1436333	945299	1733841	1414025	893533	1635219	1424836	1913260	1511451	726609	1560916	1196588	1211575	2842600	5000680	4140310	1518799	1495575	1579915	1243564	1481695	4707	1188628	1595690	957574	1252570	895784	1226654	1475085	1504201	970606	1502393	1075933	1224316	1301326	1725157	1761613	2160120	1074054	1475302	14784	1800077	1916982	1169388	1310000	1319750	1724958	1076566	1869797	962500	1458497	1224932	11230	1180119	2118493	Phytochemical	0.3181818	1.2727273	0.0
26	C22 H28 O7	405.19077	405.19122	-0.1665488	405.1907	89828	88524	84610	89975	91845	65387	34887	83749	89528	130819	63896	53471	149196	55672	73350	93651	64201	120606	132043	147015	150779	79372	77062	95224	52483	123528	35280	65832	79847	71959	78109	72645	92353	67101	143126	81635	109765	55629	68749	93125	87276	52439	0	0	0	69022	60345	0	86923	77549	89271	84354	71891	0	110782	103530	49725	89077	56999	36059	95167	58203	110537	81723	36074	108336	72892	68180	132754	212673	204246	81434	72349	76344	76144	72898	0	60680	89446	43454	64590	43592	50052	60460	97462	49680	84902	56143	60566	71366	77237	83080	108083	47036	77228	0	90903	98525	59538	100769	110082	101699	54880	78194	45858	68939	65865	0	57797	118861	Phytochemical	0.3181818	1.2727273	0.0
4	C16 H28 O8 N4	405.198	405.19858	-0.03702048	405.19797	1574	1760	812	806	0	703	497	669	0	0	0	520	0	0	956	0	969	0	0	0	0	0	0	611	763	0	0	11141	1176	0	737	1342	1275	0	0	0	743	861	968	0	0	481	0	0	0	0	0	0	0	1588	764	1286	0	0	0	0	0	823	0	0	0	0	279	0	0	0	0	0	0	0	0	607	1245	2266	0	754	0	721	494	250378	0	0	0	0	0	539	0	0	0	0	39633	12667	897	16171	0	0	0	1474	685	0	0	478	0	0	0	577	0	0	577	415	Peptide	0.5	1.75	0.25
0	C16 H28 O8 N4	405.198	405.19873	-0.2108372	405.1979	4300	3059	5824	5303	5990	42706	0	6140	2403	0	0	2527	3530	4324	1617	0	1793	8675	6195	0	950	6936	3912	4851	3021	0	0	7540	8658	2187	4883	7673	13900	11368	953	5681	8193	1030	1357	0	0	17455	0	0	0	1992	0	0	7330	3910	3078	4598	8286	0	2956	721	0	9579	420	0	2180	0	3372	3885	1009	9833	12326	1578	0	0	0	5358	10580	6234	0	5429	0	2982	1469	29201	1098	0	0	0	729	1317	2893	7891	11940	2448	22982	10706	8363	6501	0	0	4654	4625	976	1020	0	4746	2356	0	0	8004	1323	0	0	8930	Peptide	0.5	1.75	0.25
4	C21 H28 O6 N2	405.20203	405.20267	-0.24690793	405.2019	12884	14176	11994	12355	4619	5243	7286	17027	5269	16663	6639	7454	7903	3821	11356	15060	12792	6740	9664	18056	18680	17661	10370	16857	13150	12653	7359	6729	14077	10783	11134	11381	15091	11851	20224	12341	16011	10467	15491	16673	13508	4915	0	0	0	12871	13863	0	16982	13264	10614	11285	6633	0	10790	3874	3698	15191	4885	4122	14259	10188	4977	6926	2850	6242	5611	14682	11014	16876	15949	10146	10099	11810	9706	10343	0	8866	10609	10543	9433	4992	6803	11201	3481	4670	12278	6749	6284	19244	19181	15785	26666	11605	20466	0	11496	14429	4451	3789	4150	17259	7596	18112	6257	11902	3385	0	10298	6131	Lipid	0.2857143	1.3333334	0.0952381
26	C26 H28 O4	405.20602	405.20645	-0.1887978	405.20596	20092	16346	17930	14936	16646	7757	7276	18791	11164	16480	30470	9631	13785	9158	9029	16785	18197	9276	18154	25116	24407	20304	13193	20743	16744	94781	7176	29829	16113	17281	17482	11639	17208	14011	19866	22399	15427	12140	10618	21609	34964	12199	0	0	0	16878	24770	0	15523	20875	17560	16215	19527	0	9332	12497	11704	19996	13558	10676	24245	16277	10793	9961	7100	18908	21202	19363	89681	43049	63870	13145	16794	13405	9006	14650	0	12300	24571	27818	15496	16633	16091	22655	17418	11120	25130	15649	13830	22527	11251	13142	28392	35397	14195	0	17708	19094	13863	19643	16577	17768	8561	25075	10447	14287	16140	0	15350	10976	Phytochemical	0.15384616	1.0769231	0.0
22	C26 H28 O4	405.20602	405.20642	-0.24105634	405.20593	18096	21573	18001	19371	21221	11640	15735	28052	16845	12908	33877	15055	9739	16913	20803	30820	28673	9869	19878	20784	25278	22424	23721	26201	18220	78298	19541	27653	18398	18490	17017	22370	22741	16588	20103	27227	22246	23785	38631	22040	32720	13489	0	0	0	21586	25628	0	19242	27360	24730	21645	19069	0	14449	11892	16422	31218	13838	17702	20615	14762	12589	13286	13523	18835	19252	36917	60109	62271	74651	11912	14616	18952	25468	21418	0	18776	37145	22571	27836	14319	18585	21451	22224	11751	38073	18173	19403	40943	28899	26062	37315	23932	19547	0	25156	26390	17250	15603	16727	30016	16999	25047	13177	24570	19104	0	27809	13945	Phytochemical	0.15384616	1.0769231	0.0
20	C26 H28 O4	405.20602	405.2064	-0.30058494	405.2059	12616	11386	9959	9188	6447	5133	10254	14236	9222	9114	8991	12521	0	6486	13911	13989	24576	4489	11635	11634	7792	9166	9697	13759	11364	24694	12593	11788	14049	10799	9274	13252	16797	7458	10302	9888	8562	9372	19219	8355	17650	10289	0	0	0	8684	8723	0	8469	12865	12344	9858	5797	0	7639	6663	6744	13766	8768	13118	12769	5043	5226	9451	4809	5292	7785	23543	17844	22620	39622	9183	7341	9459	19645	8241	0	9531	17774	8848	11524	8341	14880	8747	13626	7913	21602	8517	7359	18716	14919	11466	12813	6806	7985	0	13376	11898	6428	8555	13421	11630	9022	16462	5433	8709	8957	0	16970	4051	Phytochemical	0.15384616	1.0769231	0.0
24	C26 H28 O4	405.20602	405.20642	-0.20125504	405.20596	27890	31566	25585	30382	30261	15183	12180	32064	23673	27501	45909	21013	19079	18601	23221	28947	36179	17774	28679	44759	31609	27656	21218	34430	27911	129635	15976	38641	26227	28570	25865	27410	29728	19625	31277	35697	28846	19268	33732	37583	46821	19465	0	0	0	26615	27776	0	30449	27904	28690	25200	27493	0	19570	16484	16429	27941	18756	23700	32652	23720	13473	17653	15283	25618	33695	33971	109057	69760	117038	22884	24296	24212	22439	21311	0	17888	36977	28429	25916	22923	21838	36147	25253	17827	49244	19948	23483	40576	20836	22441	39475	33283	28210	0	28855	32091	23687	27722	23991	39883	19432	39421	19607	29910	25414	0	28837	17517	Phytochemical	0.15384616	1.0769231	0.0
8	C20 H28 O5 N4	405.21326	405.21365	-0.26704597	405.21313	3698	4565	2263	3463	1055	1869	1924	0	0	2245	2733	1673	0	0	2162	4651	3663	0	0	1610	0	2358	854	3621	2027	0	2060	22308	2701	0	1995	2321	2999	1957	0	1599	2919	1606	2768	1660	908	0	0	0	0	0	0	0	2763	0	5156	2890	668	0	1027	0	0	2421	0	0	0	0	0	0	0	0	1554	2324	0	0	0	2333	2160	2077	2163	1331	0	2024	2037	186133	1725	0	983	1071	0	0	2873	0	914	5377	170575	37848	6783	16802	4536	0	3729	2094	0	0	0	3139	1375	2496	0	2457	0	0	2611	0	Peptide	0.25	1.4	0.2
4	C20 H28 O5 N4	405.21326	405.21387	-0.2204663	405.21317	1914	1391	1465	1820	361	787	1115	2240	0	0	0	649	365	0	1824	2119	1788	462	374	0	822	1841	1473	2076	1800	0	0	0	1209	1182	1160	1481	1640	1197	1195	2325	1665	1421	2979	0	746	869	0	0	0	0	0	0	0	1165	1411	1303	702	0	0	0	512	2426	0	0	2204	0	316	0	0	425	672	2171	0	0	0	1618	878	1469	0	1240	0	1470	1432	18876	1028	0	462	0	0	442	1956	0	863	3770	40009	9147	5665	1555	0	0	1196	2219	593	0	0	2289	1000	1524	0	1369	524	0	2079	379	Peptide	0.25	1.4	0.2
6	C17 H32 O5 N4 S1	405.2166	405.21695	-0.45831248	405.21643	0	0	0	0	0	4906	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17460	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24703	0	0	0	0	0	0	0	0	0	0	29085	6669	0	1416	0	0	922	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29411766	1.882353	0.23529412
8	C17 H32 O5 N4 S1	405.2166	405.21704	-0.45918167	405.21643	0	0	0	0	0	1065	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10151	0	0	0	0	0	0	0	0	0	0	24155	0	0	1979	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29411766	1.882353	0.23529412
22	C20 H33 O3 N2 S1 Na1	405.21823	405.21863	-0.19211861	405.21817	9918	9568	9091	9820	6545	7249	5834	10511	7751	16886	10992	6285	8618	9338	6590	9244	7639	11447	10455	21872	14976	9628	9203	9471	6332	32748	4619	11160	9783	9980	5912	8880	16351	5517	17307	9759	8967	5239	7910	14597	12555	5571	0	0	0	10037	6604	0	9871	6282	7141	8252	6923	0	11228	9001	4986	8803	5441	4832	8143	6997	6184	7163	4013	7115	5402	7376	18499	33533	34046	8404	5681	10196	0	8429	0	3728	11051	4706	4167	4269	6167	6387	9815	5759	9707	6434	5948	4588	4900	8771	6506	4288	10252	0	7502	9314	6963	8110	6303	14603	4761	10710	3461	9495	4114	0	6356	8549	Organosulfur	0.15	1.65	0.1
24	C20 H33 O3 N2 S1 Na1	405.21823	405.2185	-0.2018686	405.21814	4913	4376	5459	4357	4415	4493	1452	3546	4532	9390	8053	3217	6663	2465	2955	4041	4909	9460	8712	10916	13524	4558	4490	4231	2928	16755	1888	3412	6396	4967	6229	3329	13190	5342	8211	5493	9899	2600	4402	8893	4818	2148	0	0	0	5193	2402	0	4826	1942	3950	5276	3190	0	4362	4905	3976	4874	2883	1889	2382	5462	8012	4504	1321	4144	2760	3083	12639	25588	19502	4772	5545	7284	6564	3411	0	2737	3781	3271	3900	0	2917	4235	5546	0	2743	3011	3016	3030	5040	3408	8834	1779	6383	0	4888	6391	2488	2030	3943	18276	2434	6922	2096	6471	1986	0	3396	5754	Organosulfur	0.15	1.65	0.1
20	C20 H33 O3 N2 S1 Na1	405.21823	405.21863	-0.29512453	405.2181	11526	7627	8293	6696	6745	6158	5642	6453	8636	9040	10252	3940	6724	4870	5238	6086	7834	7856	7449	13889	19182	7455	2731	7860	4184	23272	4593	11738	5763	6235	4861	5301	9854	5234	9651	6272	9026	4941	6039	6042	9439	2571	0	0	0	5169	5675	0	6373	6178	9689	9482	8121	0	7273	7411	3810	6990	6787	6482	7206	5553	5174	3721	4203	5082	5643	6290	15560	22935	26936	5657	5011	6994	6106	6760	0	5512	9045	5968	5309	2324	5247	0	9972	2939	7946	4407	5916	6734	9003	6697	5476	5033	7579	0	5864	5554	3820	4441	7280	11736	6947	7968	2606	8358	6796	0	6850	6670	Organosulfur	0.15	1.65	0.1
20	C18 H32 O8 N2	405.22314	405.22385	0.30517414	405.22327	0	0	1700	0	0	0	0	0	0	0	2470	0	0	0	0	2274	2409	0	1793	0	2667	0	0	0	0	1315	3377	0	2186	0	0	0	0	0	0	0	2012	2047	1572	0	3163	0	0	0	0	0	0	0	1519	0	2446	0	1400	0	4621	1583	0	0	0	1617	1436	1233	0	1362	0	0	0	1480	3030	0	2841	0	3378	3266	2627	1392	0	0	2506	0	0	0	3249	0	0	0	0	1502	0	0	0	2487	2141	0	0	0	0	3071	32469	1238	0	2323	0	1910	0	0	2244	0	0	0	Lipid	0.44444445	1.7777778	0.11111111
24	C23 H32 O6	405.22717	405.22754	-0.1350398	405.2271	788204	780259	758984	787157	738730	654575	457435	653962	721363	1304078	803611	354150	906858	494119	556985	694073	515646	965934	1324795	1611944	1485874	782929	508351	659259	540303	1365845	390194	827069	745454	645641	577730	690542	926889	659722	1499447	772833	1085470	468945	557009	917490	647701	461700	19641	2802	0	654003	436804	5121	727278	516512	745362	756250	619279	6790	1014408	701708	413718	815791	659998	320122	754214	602481	843376	713348	325134	811303	647439	543302	1149092	2028353	1599640	579285	617907	668924	473704	636677	0	455864	652098	421571	452010	423751	573166	605922	722518	508470	675325	464211	642993	549354	892999	985386	920541	519781	836605	7376	793472	804721	470700	705241	690423	946229	385936	856194	457667	677771	532451	4578	484406	872098	Lipid	0.26086956	1.3913044	0.0
26	C23 H32 O6	405.22717	405.2276	-0.15396243	405.2271	208266	202107	202227	202503	202277	147087	116385	205699	223186	274943	198132	101418	284037	149035	166591	191658	118046	270958	379674	395924	348134	224663	147347	208223	178089	345237	106246	215765	241224	188900	181466	200312	255824	166295	378183	227184	303811	132098	131819	253089	179152	136859	4294	0	0	188466	130790	0	213664	152413	207504	187085	176129	0	281163	246050	122393	218347	195951	89588	212225	169795	240973	193246	89566	229101	189379	136598	314186	559328	410885	159244	171864	202956	113260	199784	0	133830	178338	140671	127181	128574	172107	175614	209222	140510	194868	131993	160598	171083	253761	280450	288817	155628	251619	0	207485	229490	131494	243037	239597	272456	112744	235412	154471	162215	158368	0	141685	225910	Lipid	0.26086956	1.3913044	0.0
4	C17 H32 O7 N4	405.23438	405.23495	0.04934059	405.2344	0	1446	0	499	0	2520	0	0	0	0	0	0	0	0	440	338	0	366	0	0	0	0	0	0	0	0	0	8236	0	0	0	0	0	0	0	0	429	0	0	0	0	0	0	0	0	0	0	0	0	0	550	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	270	0	0	0	0	0	0	0	137269	0	0	0	0	0	0	0	0	0	0	57506	16528	0	5864	0	0	653	902	0	0	0	0	0	0	0	0	0	0	0	246	Peptide	0.4117647	1.882353	0.23529412
2	C17 H32 O7 N4	405.23438	405.23502	-0.054162934	405.23434	4240	1967	3347	2879	444	18360	0	673	0	0	0	0	0	589	635	512	0	1386	0	0	0	0	0	573	0	0	0	115126	1041	0	1067	760	1528	0	0	479	1766	511	466	0	0	0	0	0	0	0	0	0	0	0	1820	2299	430	0	372	237	0	971	0	0	0	0	0	0	0	828	671	519	0	0	0	0	670	614	0	406	0	339	472	419553	383	0	0	0	0	443	544	600	466	1028	61355	37605	0	23263	0	0	1986	2225	490	0	305	658	293	0	0	0	251	0	377	1043	Peptide	0.4117647	1.882353	0.23529412
10	C22 H32 O5 N2	405.2384	405.23892	-0.20604455	405.2383	5182	6140	5723	6019	3016	2483	4982	7398	1487	8221	3321	4407	0	1800	4393	12888	7028	1809	2120	10317	5365	6856	6356	10726	9297	2948	4764	3310	11236	5534	7183	9720	11590	7135	9255	7880	9483	3943	6691	7838	2675	3980	0	0	0	5090	3339	0	10233	4481	8501	5945	2984	0	2947	787	1425	13810	0	0	0	1944	1248	1998	1468	1275	3001	6255	0	7947	5823	7384	6671	7189	5829	6713	0	3987	3726	0	4174	0	0	4168	0	1015	4172	4649	3456	16823	18878	2690	27371	3964	7888	0	5285	7339	1456	0	0	10440	4441	9962	0	9735	1010	0	5403	0	Lipid	0.22727273	1.4545455	0.09090909
26	C25 H33 O3 Na1	405.24002	405.24045	0.4452722	405.2402	0	4376	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4690	0	0	0	0	108481	0	0	0	0	0	0	0	271558	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56405	190206	0	6390	0	0	0	0	0	0	0	0	0	0	12137	7024	84373	0	0	0	0	0	189599	0	0	0	Lipid	0.12	1.32	0.0
20	C18 H33 O1 N6 S1 Na1	405.2407	405.24072	0.18360268	405.24078	6199	9988	6110	6744	2153	4648	7200	11521	4664	4576	0	5818	0	6267	5573	13929	22054	1802	2675	2602	5672	5095	4105	10024	5940	2503	12308	5562	10697	11455	8504	11632	12722	6273	3591	14456	9505	9524	27513	8688	8693	4849	2203	4050	653	5699	7019	5061	14523	10824	5831	8249	6523	1497	0	2095	6753	12778	7630	12009	9259	3098	1996	3912	4143	2026	6999	33101	3875	6308	6664	8546	10840	8105	17570	13229	1236	5969	9521	5189	11686	5456	6493	0	4836	6716	14616	9797	5256	31334	17221	10521	18450	6025	3647	4926	9215	6676	2851	7907	7946	12347	9808	12268	6582	7566	6351	4587	12903	0	Organosulfur	0.055555556	1.8333334	0.33333334
22	C27 H32 O3	405.24243	405.24277	-0.314175	405.24228	9429	10834	10124	10736	9352	4924	13076	11706	9661	4798	9638	9585	3641	0	11452	20643	33876	6060	10799	5257	8055	9078	8512	11659	10306	17143	16141	10891	8843	14623	12876	12971	14476	5755	3461	11138	13922	14638	30013	5840	9800	8192	0	0	0	6035	7844	0	10867	17509	10748	13299	10935	0	6510	7429	7960	17937	6294	12326	9963	2525	6216	4582	5271	6876	5205	44020	8526	8705	13489	6060	5104	13312	20186	12099	0	9007	21359	6409	14692	5268	8093	4779	11006	9622	21422	6481	7772	35330	8310	5724	11694	5702	5137	0	10202	7998	9694	16725	12870	20610	9040	11965	3919	10081	13557	0	15598	3517	Phytochemical	0.11111111	1.1851852	0.0
20	C19 H36 O7 N2	405.25952	405.25995	0.078543045	405.25955	0	2260	0	1699	0	0	0	0	0	2173	0	0	0	0	0	2106	0	0	0	0	0	2107	0	2112	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1598	1565	0	0	0	0	1536	0	0	3243	0	1752	1772	0	452	0	0	1262	3909	26590	6542	1920	1842	1928	0	0	0	0	1524	0	0	0	0	3906	0	0	0	0	0	0	0	0	0	0	0	0	0	1708	0	0	6024	2667	1747	3872	2004	0	0	0	2301	0	0	0	0	0	21358	50851	5210	0	0	1795	0	Lipid	0.36842105	1.8947369	0.10526316
20	C24 H36 O5	405.26355	405.26392	-0.2687985	405.26343	36096	42974	43338	44054	31272	19068	78095	33187	27556	16492	22939	29863	28178	31512	34153	51017	113437	23409	46165	20290	15368	24017	20863	32669	35658	37444	75583	27923	44840	42927	28578	47311	49027	27714	15650	49188	43839	32012	121493	9726	29096	27432	975	0	0	6986	25873	0	48526	29935	42708	44602	31459	304	39744	41787	23852	50576	16160	35279	40841	6446	28264	28946	36621	32452	36482	118667	19902	20857	36214	20597	29347	42449	97994	37360	0	23976	56685	27591	26847	14641	56497	48040	67296	42848	73678	29053	37154	107492	39735	31512	42312	19434	18053	0	46967	46237	29827	60066	71400	60982	29406	29808	11965	32021	45928	0	46083	22184	Lipid	0.20833333	1.5	0.0
18	C24 H36 O5	405.26355	405.26398	-0.29404798	405.26343	12654	7638	10271	8855	3499	3381	18412	6983	5150	3530	5486	4917	3741	7131	6333	13975	33147	3967	4882	3967	2240	3542	7316	9363	9767	3389	17311	8934	9574	12404	7307	11932	12779	0	0	7041	10024	7733	38474	1433	6272	3794	0	0	0	2702	2880	0	11145	5503	6470	10392	6023	0	6995	8846	6711	16698	3388	7157	6676	2071	4337	4421	8378	4497	7103	38643	1451	0	4975	2851	6420	16136	22140	9319	0	4149	16410	3838	7747	2567	12565	7305	18916	12933	24981	5405	9183	36999	5175	7790	10208	1779	3168	0	5450	6183	5898	13950	15899	12049	5368	5012	1658	10603	12714	0	12660	4764	Lipid	0.20833333	1.5	0.0
26	C28 H36 O2	405.2788	405.2791	-0.2822285	405.2787	11406	9735	7305	10862	6716	3879	13414	17062	7459	0	3959	15281	0	8118	8814	14436	45781	0	5819	0	0	2342	6653	7996	13806	5956	11231	5704	19304	43013	14721	15498	12342	6099	1420	27854	11370	12435	37852	0	4162	0	0	0	0	0	0	0	13622	29908	11442	12727	8319	0	9511	8055	7212	14992	4184	6662	11953	0	3738	4380	6698	3697	7664	43605	0	1641	3669	3149	10942	37207	42749	31497	0	10727	11269	5759	11011	4283	8093	4328	16058	7569	26096	7871	5899	31255	4391	3203	8467	4055	0	0	6891	8697	10142	20022	18973	17425	11145	7804	0	9569	13320	0	16541	0	Phytochemical	0.071428575	1.2857143	0.0
24	C28 H36 O2	405.2788	405.2791	-0.31732905	405.2787	6180	6562	5824	4903	4622	2713	10324	12038	3605	0	2372	8622	2837	5227	7339	12790	41752	1678	4734	0	0	0	4311	3830	7467	3505	12392	2583	7769	25964	9328	12458	6435	2974	0	15673	2968	8130	42283	1651	1112	3181	0	0	0	0	1445	0	6808	18001	7398	6652	4565	0	5415	4533	6409	9791	4065	5360	6830	0	0	2850	6523	2388	6031	45875	1735	0	2038	1207	2930	24664	30858	16647	0	8400	10685	1635	7207	1880	3538	1314	10543	7363	15457	5524	4792	28342	3268	3558	5364	2692	0	0	5826	6258	6919	14484	12101	17275	5458	3632	0	5555	9682	0	9198	0	Phytochemical	0.071428575	1.2857143	0.0
22	C28 H36 O2	405.2788	405.27914	-0.25063473	405.27872	1767	2436	0	0	0	0	3917	2081	1192	0	0	2252	0	0	2344	3245	21313	0	0	0	0	0	0	0	1825	0	4344	0	2457	5602	2113	0	1321	0	0	2418	0	3045	21358	0	0	0	0	0	0	0	0	0	1729	4492	2797	0	1288	0	0	1509	2748	0	0	0	1714	0	0	0	0	0	0	21778	0	0	0	0	0	4232	10556	2801	0	919	2385	0	0	0	0	0	2406	1461	8246	0	1007	9799	0	0	0	0	0	0	0	1757	0	3926	1700	3662	1809	1269	0	0	2115	0	2130	0	Phytochemical	0.071428575	1.2857143	0.0
20	C21 H40 O7	405.28467	405.28516	-0.12274037	405.28464	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1108	0	0	0	0	0	0	0	6430	2454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4048	0	0	0	0	0	0	0	0	0	0	0	0	0	4166	30996	0	0	0	0	0	6489	0	0	0	Lipid	0.33333334	1.9047619	0.0
22	C21 H40 O7	405.28467	405.28497	-0.163815	405.2846	5671	6048	8112	8247	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7571	5557	0	0	0	30752	121903	0	0	0	0	0	0	0	464621	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4252	0	0	0	0	136162	278669	0	990	0	0	0	2946	0	0	0	0	6253	8375	31236	158270	837272	0	0	0	0	0	336399	0	0	0	Lipid	0.33333334	1.9047619	0.0
20	C25 H40 O4	405.29993	405.3001	-0.249283	405.29984	0	0	0	0	0	0	1936	0	0	0	0	0	0	0	0	0	5687	0	0	0	0	0	0	0	0	0	3234	0	0	1469	0	1637	0	0	0	1778	0	0	5177	0	0	0	0	0	0	0	0	0	1840	0	0	0	0	0	0	0	0	1627	0	0	0	0	0	0	0	0	0	7453	0	0	0	0	0	0	7708	0	0	0	0	0	0	0	0	0	0	0	4958	0	1637	21120	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.16	1.6	0.0
28	C25 H40 O4	405.29993	405.30032	-0.26599514	405.29984	14667	13057	16435	16111	9777	8934	91413	20294	8334	6070	21962	8620	7501	18858	10482	15703	24458	6887	13819	9925	6973	10821	11608	8218	23762	24203	80322	35426	26491	22760	10622	77904	21615	12769	9615	29032	15416	14843	23243	6584	10917	13226	2646	1811	4465	9886	7980	2564	19804	14763	10571	14101	20112	4107	15007	15389	10173	21600	24629	10693	18326	17160	8019	8550	19139	19197	28157	26714	14190	9222	7822	6380	10897	30735	18560	14927	4352	10146	19435	31670	8590	18819	21061	16927	18082	17585	46751	8996	14727	34875	23856	23879	12849	18192	5537	2409	16567	17049	12646	17938	28293	24176	9951	22895	27713	11776	15567	2586	20372	5962	Lipid	0.16	1.6	0.0
22	C25 H40 O4	405.29993	405.30023	-0.23203975	405.29984	3270	5674	4761	2279	0	0	17885	4127	0	0	1263	2193	0	0	2475	7464	32465	0	0	0	0	0	1829	0	6553	0	22158	2879	6956	10053	6066	10056	6550	3628	0	9975	3117	4883	33213	0	0	2863	0	0	0	0	0	0	9739	5882	4152	2166	8077	0	1741	0	1366	10146	0	1856	4208	0	0	0	4570	1764	8353	37885	1548	0	0	1282	2493	4915	27539	6011	0	1606	3573	2402	2131	1651	4991	6171	0	2330	20175	1669	6104	58612	1955	0	1842	0	0	0	4219	4248	0	1232	2541	10178	2435	1727	0	3081	1412	0	8393	0	Lipid	0.16	1.6	0.0
24	C25 H40 O4	405.29993	405.3003	-0.2686597	405.29984	25448	25772	24821	24244	10009	7547	120956	20237	3660	4640	13471	11226	2964	27424	12833	40483	73222	5275	11706	4896	2939	6031	7842	9029	23801	20611	121431	24868	30601	30981	13551	34273	24327	20171	10509	36947	22498	15335	77961	3663	9829	15883	0	0	0	4380	10421	0	35516	21448	21131	22867	34068	0	3722	5999	13418	34866	6378	18632	33277	4909	13359	5652	27908	21419	32446	81804	7631	3542	13939	7747	16236	23047	69318	24416	0	9641	20893	17832	11067	15781	34357	32671	8531	14615	68466	12201	28954	154035	30344	27048	24495	6277	6434	0	23897	24639	12086	8294	9843	30714	11175	19982	9596	15801	6888	0	34941	3851	Lipid	0.16	1.6	0.0
26	C26 H44 O3	405.33633	405.33652	-0.31806344	405.33618	2332	2508	0	0	0	0	76500	0	0	0	8542	0	0	15760	0	0	0	0	0	0	0	0	0	0	0	12155	75314	9378	0	0	0	0	0	0	0	0	0	0	4243	0	3665	0	0	0	0	0	0	0	0	0	2426	0	0	0	0	0	0	0	0	4452	8033	0	2401	0	18581	0	2558	2315	5377	0	1867	0	0	0	0	0	0	0	0	7373	0	6661	6389	10832	0	0	4503	0	0	0	2545	0	0	0	0	0	2101	0	3460	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.115384616	1.6923077	0.0
28	C26 H44 O3	405.33633	405.33667	-0.21676452	405.33624	2096	1635	1828	2033	1428	2372	45158	5284	1770	1995	11873	1967	1803	5482	3046	3077	3485	0	0	3183	2232	1458	2085	0	3332	11532	38128	9176	3322	4786	1376	1711	1919	1653	1907	3614	875	3480	3542	1246	2995	2378	1442	1882	4027	2569	4748	2561	818	5371	2154	2837	1936	0	3101	2385	2086	2272	3412	5320	8578	3335	3230	0	11513	1799	3695	3135	15043	1751	2678	1252	2087	2780	2752	2317	0	1632	2350	14078	2200	6478	4304	6730	1799	1826	3914	2537	1465	2765	3721	4130	1774	6099	2373	1866	2604	3700	2386	1072	2648	3213	2168	7242	6630	2092	2278	2047	2483	994	Lipid	0.115384616	1.6923077	0.0
18	C18 H15 O8 N1 S1	406.0591	406.05963	-0.02591412	406.0591	2367	2613	2899	2028	4648	1983	0	0	2224	6218	2756	0	1638	1109	0	1527	0	2355	1959	0	3641	14688	0	1932	0	4260	2075	1575	0	0	0	0	2914	0	6391	0	0	0	0	5633	10243	0	0	0	0	2259	4359	0	0	0	2402	2901	1603	0	0	1983	0	0	1815	1505	0	2605	3866	3015	956	3441	1657	0	4809	5552	4854	0	0	0	0	0	0	0	0	10435	1250	2368	0	5869	1853	1666	1562	2395	0	3155	4706	2270	3074	17421	20984	0	2397	2736	1389	1795	2256	0	0	0	1833	0	3135	0	0	4150	Organosulfur	0.44444445	0.8333333	0.055555556
14	C18 H15 O10 N1	406.07687	406.0774	-0.07508469	406.07684	24550	23475	24001	27739	40768	24226	2268	3971	45484	60664	49503	6780	84999	14679	7964	11057	10780	48311	43698	31858	71546	96130	12251	6887	6101	4062	2644	13335	4998	2241	4556	0	11964	1764	92198	2506	11069	6729	6543	33286	83300	10027	0	0	0	27145	73176	439	4888	2150	28504	24343	21315	0	51868	45246	18410	13886	7132	11852	0	48913	93319	53504	10932	41259	23265	13642	16197	8368	28374	3336	2060	0	4098	2989	0	6756	15999	68951	18666	31940	5087	13894	45653	14097	13436	14695	16234	19111	8104	22257	18223	99690	72535	0	24396	26131	24360	49076	48633	10015	6168	7103	29962	12851	32029	0	4869	74581	Phytochemical	0.5555556	0.8333333	0.055555556
20	C18 H15 O10 N1	406.07687	406.07733	-0.05860842	406.07684	8452	13826	10990	8767	13352	9447	1217	3670	16887	18754	5993	2600	36609	7599	5596	6611	2345	19866	22103	9948	18985	45341	6558	9869	2537	0	4147	6158	2993	0	1771	0	3706	1293	38133	0	3754	1250	0	14099	13753	6854	1004	0	378	8614	35232	1531	1367	1798	8304	9011	10434	0	27497	19442	6970	0	4798	3485	2833	11856	42131	26895	7276	22046	7285	2083	6601	0	4100	2343	0	0	0	1690	415	3739	11291	24206	8299	11781	2840	0	25914	12939	8561	7903	8003	4538	4259	7347	12053	48843	32620	0	15964	13469	10788	18728	26579	3778	2165	3521	16203	2777	15581	0	6626	36935	Phytochemical	0.5555556	0.8333333	0.055555556
22	C18 H15 O10 N1	406.07687	406.07736	-0.06568991	406.07684	5552	4808	2994	5007	9480	5381	0	0	15372	12823	2733	1366	17198	0	3511	1807	0	9890	10244	9037	13972	21376	4752	2595	0	0	1662	1578	0	0	1039	0	2118	0	11319	1310	1820	3794	1233	4513	7127	2441	0	0	560	4829	10046	0	1547	0	6865	7900	7816	321	11409	12867	3252	0	1701	1682	3153	6878	22969	18137	4400	7996	5959	1715	1813	0	2062	0	0	0	1076	0	521	1556	8636	14172	4975	4566	1669	1327	16683	10718	6619	4572	3801	2168	3394	0	2268	24425	28831	0	4113	4860	6406	11608	13233	4520	2213	0	8013	2410	4960	0	2302	21987	Phytochemical	0.5555556	0.8333333	0.055555556
12	C18 H15 O10 N1	406.07687	406.07742	-0.07331049	406.07684	17375	20584	18388	20496	25138	11042	3065	2333	36245	48743	38677	5236	59050	8909	6214	4757	6448	34259	34293	30434	59138	72277	11553	6877	1245	4088	3006	0	2289	2467	2586	2364	7798	2079	77854	1434	7109	5278	8259	31551	76284	11919	0	0	0	20135	42448	0	4945	2829	21324	21718	15944	0	41423	29679	14386	6277	0	11005	0	28025	84389	39704	12159	37849	11336	5814	0	8975	25956	2891	2341	0	4148	3018	0	4549	11748	37599	10564	15918	3506	7341	28306	11700	13153	15406	10920	21324	2765	12441	12980	77425	44516	0	19597	17558	22398	37030	30798	6433	4131	6374	19786	9948	21410	0	3394	60754	Phytochemical	0.5555556	0.8333333	0.055555556
16	C18 H15 O10 N1	406.07687	406.0774	-0.08428758	406.07684	28493	22443	26163	25480	41224	24451	3227	5661	43416	56529	31665	8477	75612	11780	8295	9565	8126	56526	54721	31220	55858	77206	20527	8563	4677	3873	6201	14170	4089	1824	6922	0	9764	5247	71364	4651	11871	10185	8188	34722	57737	10940	1095	330	276	25113	56647	425	6563	3106	19412	29673	26103	0	50123	45597	16615	7360	6546	10275	8404	37225	77634	50246	13387	47895	17403	8331	12311	16055	18069	5048	2323	0	3387	2625	334	5648	22132	55623	11245	28845	3090	12270	51737	17683	13866	14951	16433	0	9285	15250	0	93289	69356	0	23125	17612	24396	42858	50073	12486	3923	4494	27467	14682	28758	0	7262	82699	Phytochemical	0.5555556	0.8333333	0.055555556
10	C18 H15 O10 N1	406.07687	406.07745	-0.099925876	406.07684	11269	10421	7046	9137	16697	6048	1034	2020	20298	20554	21066	3926	31110	3586	1773	4401	1810	15000	16328	12491	30491	34560	4817	3122	0	2216	0	3433	0	1397	1821	1447	5939	1110	32424	1429	4769	2223	1861	18219	28725	5177	0	0	0	10402	23830	0	2301	1924	9851	11092	8971	0	19108	18313	5665	4135	2768	4066	0	10765	44920	21755	6447	25884	6379	4767	11146	4685	15645	2120	1350	0	1489	0	0	1529	6592	10838	5303	7990	1101	1392	19549	7449	5155	8058	6172	8993	0	3532	6781	33641	30483	0	10023	8100	12461	21948	17883	5748	2621	3995	0	5370	13962	0	0	33416	Phytochemical	0.5555556	0.8333333	0.055555556
18	C18 H15 O10 N1	406.07687	406.07736	-0.02708192	406.07687	16903	14166	17254	17417	26729	15830	3887	2091	29066	40516	18335	5965	58749	16109	6156	6241	4467	46241	37850	21686	35675	61312	10972	7040	3611	0	3682	6788	0	2297	1675	3287	10822	0	40999	2549	7661	6550	0	25927	33971	9977	1455	0	0	17318	36025	769	3248	2349	21267	22090	16639	322	46806	30038	11281	6127	6140	6477	4841	27079	62080	36820	12630	33668	12910	7374	6546	3424	12180	2382	0	0	3812	0	327	4398	19026	46296	11594	19291	2383	8773	33712	20920	12319	15975	17099	15138	6213	7761	12673	67790	57975	505	19172	20843	20545	31076	28747	4393	3898	10826	18884	6261	20213	0	7212	59228	Phytochemical	0.5555556	0.8333333	0.055555556
20	C22 H15 O7 N1	406.09213	406.09265	-0.060851067	406.0921	2314	2544	2141	0	0	0	0	0	1490	5652	6076	0	0	0	0	0	0	0	0	0	2555	4136	0	0	0	6802	0	2773	0	0	0	0	0	0	5046	0	0	0	0	3781	8265	0	0	0	0	2258	6936	0	0	0	2134	2147	0	0	0	0	0	0	0	1009	0	2220	0	1506	0	1834	1842	0	12216	8556	25487	0	0	0	0	0	0	0	2225	3617	0	3262	0	0	0	1199	0	0	1530	3786	0	0	0	3336	3837	0	2891	0	0	2103	0	0	0	0	4301	0	0	0	0	0	Phytochemical	0.3181818	0.6818182	0.045454547
18	C22 H15 O7 N1	406.09213	406.09262	-0.090446115	406.0921	0	0	0	2840	2640	0	0	0	1387	2483	4519	0	0	0	0	0	0	0	0	0	2435	3397	0	0	0	10293	0	2926	0	0	0	0	0	0	0	0	0	0	0	4662	6586	0	0	0	0	3538	4357	0	0	0	1978	2386	0	0	0	0	0	0	0	0	0	2466	2746	1710	0	0	0	1506	12520	11459	22620	0	0	0	0	0	0	0	0	4499	0	0	1234	2488	2951	0	0	1247	0	2420	0	0	0	3241	4388	0	0	0	0	1334	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.3181818	0.6818182	0.045454547
12	C15 H19 O12 N1	406.098	406.0986	-0.088046074	406.09796	3671	7374	4999	6102	27198	12476	0	1225	35805	0	5814	4676	71613	7587	4158	3048	4293	34967	27940	4119	6645	0	9475	0	0	0	0	0	0	1840	0	0	3774	0	2321	1149	1324	2124	3403	0	0	22094	879	0	0	0	0	0	1439	1359	4703	0	17123	0	47725	48300	11509	0	0	0	0	0	59493	46988	9025	33265	12132	0	0	0	0	0	0	0	0	1045	0	4118	4682	0	3604	1406	0	0	42667	8265	4833	8820	11753	0	0	3772	2529	8740	0	0	4046	11485	24694	31437	40206	5252	4569	0	0	2640	20687	0	0	64123	Phytochemical	0.8	1.2666667	0.06666667
8	C15 H19 O12 N1	406.098	406.09863	0.016695656	406.09802	3209	3441	2353	2826	12245	4043	776	1372	15184	0	0	1659	37128	3485	2105	2316	2116	15768	15130	0	4250	2991	3727	1319	854	0	0	0	1702	817	1375	0	1856	0	0	861	0	1902	1725	0	1301	9999	0	0	0	0	0	0	0	1307	2921	4441	7083	0	22441	33114	6097	0	0	0	0	0	29992	23639	6549	14524	4616	0	0	0	0	1456	0	729	2983	1015	0	912	1725	4775	1823	0	0	0	21339	4038	1608	6949	6581	1662	0	0	0	5732	0	0	3942	5311	13067	28764	31760	0	2224	0	0	2732	15368	0	0	30953	Phytochemical	0.8	1.2666667	0.06666667
16	C15 H19 O12 N1	406.098	406.09866	-0.047646426	406.098	0	2859	2074	0	9927	6061	0	0	17622	0	2321	3512	26833	3425	0	1729	2657	17056	7332	1946	3665	1957	4323	1776	0	0	0	0	0	0	0	0	0	0	0	0	1597	0	0	0	0	6588	508	0	0	1825	4723	0	0	1239	3536	0	8017	0	19910	20175	5021	0	0	0	0	0	22399	19642	5522	9157	5731	1571	0	0	0	0	0	0	0	0	0	1111	0	0	0	1598	0	0	13390	5600	0	4816	4215	0	0	0	0	3655	0	0	3221	3013	7590	10502	11826	2160	2907	1674	0	0	10516	0	0	31581	Phytochemical	0.8	1.2666667	0.06666667
10	C15 H19 O12 N1	406.098	406.09857	-0.025864776	406.098	5833	4902	6817	5459	21397	8040	1473	0	22658	0	0	4831	58296	5677	4732	2783	4106	27090	25716	0	6784	6997	7492	3427	0	0	1719	0	0	2103	1089	0	2849	1191	0	0	4155	2973	2505	0	0	16618	0	0	0	0	0	0	1382	3647	5512	7085	13243	0	40662	44992	11054	2142	0	0	0	0	57928	40280	10839	21434	9068	4558	0	0	0	1664	976	1233	4380	0	0	2707	3929	0	2937	1299	895	0	37608	6405	2341	12127	10335	0	0	0	5711	11255	3979	0	5299	8232	21479	36711	43058	6293	3347	0	0	5673	25590	0	0	54940	Phytochemical	0.8	1.2666667	0.06666667
14	C15 H19 O12 N1	406.098	406.09857	-0.12985514	406.09796	11571	4761	7676	6122	22791	9345	3340	1803	31245	17594	14170	2055	57484	7166	2247	0	2734	30536	27032	9726	21406	19380	7472	2942	2828	16469	2648	0	3277	1246	2732	0	0	3748	30092	0	6578	2364	4098	18746	26140	18297	0	0	0	6849	10926	0	0	1097	10424	11272	14581	0	37914	40876	11086	1998	0	0	0	12230	53224	37825	9450	22005	13561	2493	20385	20557	21851	2665	0	1557	3835	2368	0	2666	5692	0	6343	8737	3814	8641	35712	5293	7250	11312	9122	4791	7443	9082	9139	27098	22137	0	9813	10731	20294	22172	22846	7584	4273	2590	0	3947	22819	0	2100	55026	Phytochemical	0.8	1.2666667	0.06666667
8	C23 H19 O4 N1 S1	406.11075	406.11133	-0.3306163	406.11063	0	0	0	0	0	0	0	0	0	0	0	0	0	0	878	0	0	0	892	0	0	1485	0	0	0	0	0	0	890	0	0	0	0	0	1290	800	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	582	1860	2614	0	0	0	0	0	0	1195	0	0	0	0	0	0	0	0	22924	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	998	686	0	0	0	0	0	0	0	Organosulfur	0.17391305	0.82608694	0.04347826
8	C19 H19 O9 N1	406.11325	406.11386	-0.113085784	406.11322	45771	54481	35304	43202	35111	20362	15270	26791	51187	117757	80978	21045	76630	14958	21624	29719	27167	43237	50646	80796	125287	89151	24884	31052	7347	29283	13695	40719	19630	19927	20148	20106	30438	19333	160001	18827	27355	19071	31173	72887	111889	19614	0	0	0	54717	104356	0	24453	20778	44414	49875	29164	0	59059	44852	19733	28748	20542	30779	28909	59903	81398	57045	19283	45302	25780	38212	69656	54263	109038	19290	17239	16886	15833	20232	0	16519	32841	42650	24906	37456	15884	31647	40748	18304	28404	24484	23076	43772	11698	31639	47006	74394	75324	0	43214	42315	45191	50204	45792	30858	17700	30697	45407	26161	38947	0	13822	72225	Phytochemical	0.47368422	1.0	0.05263158
12	C19 H19 O9 N1	406.11325	406.1138	-0.09113124	406.11322	114389	115778	112621	116351	90747	57841	65328	74903	114628	324598	202867	44114	155022	40810	54696	74794	62477	132982	141387	234917	300198	271211	71190	81297	34296	124051	44850	120444	57114	47015	56694	50353	86183	51388	457158	46886	74869	52653	65291	243634	317111	56760	1715	0	0	179899	246628	0	64023	55209	119417	117490	72331	386	159559	94257	47337	79714	67919	87322	71521	192058	205278	124313	37907	123927	61321	77190	262131	199722	282507	57494	51396	40597	44609	48278	0	49122	73252	136713	66814	133717	50850	103320	107866	55621	77676	56315	57988	115015	68628	109975	102110	228816	206451	442	122947	138587	92663	89103	83622	70878	41500	75969	150658	71488	78902	0	48185	177450	Phytochemical	0.47368422	1.0	0.05263158
20	C19 H19 O9 N1	406.11325	406.11368	-0.1575035	406.1132	44389	33871	37091	36172	45250	38394	9412	16486	53506	119777	51723	11174	66927	27191	24414	22158	11539	58923	41930	63933	89975	94555	26210	23229	15653	37269	9682	31834	18579	12168	14380	13055	24628	14127	138755	10703	23314	18679	11207	80551	77925	21358	2389	587	517	71989	95486	1030	18409	12815	36562	33756	33028	541	63791	44472	24018	21745	15568	11350	21389	66533	71290	50218	16620	48542	24253	12572	48114	58225	63945	9530	10520	7945	10792	12063	871	13463	39035	65787	22269	43568	14068	43182	49820	32733	22196	22378	19791	14929	25979	41635	33122	88388	94625	740	38655	42282	34019	43758	46582	18681	12831	20315	53375	24343	32306	815	17819	78086	Phytochemical	0.47368422	1.0	0.05263158
24	C19 H19 O9 N1	406.11325	406.11365	-0.113146655	406.11322	8708	7198	6707	7537	7768	5278	1438	2581	7797	19856	6597	2940	16273	2057	1748	4402	0	14183	10887	10274	20234	23717	3134	5954	2595	5976	1815	1566	2134	1623	2466	0	3915	1513	20787	0	3512	2015	3573	8804	10159	3141	0	0	0	9448	16706	0	2267	2007	7153	7015	6748	0	14849	8561	4779	2434	3760	0	3294	11625	15072	10231	3216	10124	3854	2653	7947	8850	12226	2766	0	1717	2095	1410	0	2314	5623	14686	6178	9053	1649	5987	12166	8043	2871	5389	1673	3942	4113	3434	5320	17670	24103	0	5748	7490	6419	7695	6266	2138	4035	4823	11018	2931	4856	0	2718	20477	Phytochemical	0.47368422	1.0	0.05263158
28	C19 H19 O9 N1	406.11325	406.11365	-0.20238788	406.1132	6766	6006	4713	6499	5589	5750	2006	2666	6698	20526	5923	2696	8495	3873	3989	3804	0	8001	8066	7648	10444	10853	4851	6216	3600	5094	1320	3302	2451	3550	2366	1712	5008	2697	15423	0	2897	3640	2784	8542	7712	2167	0	0	0	8831	7602	0	3013	0	6178	3062	4525	0	8171	4879	3160	3880	5215	2045	3199	7280	9667	4654	2523	5926	4206	2591	5149	7837	9895	2124	3059	0	2670	2771	0	2138	4463	11435	3602	5362	3658	2696	8013	2943	5061	3838	4289	3078	3831	5485	7800	11452	17849	0	5647	5870	4625	2120	3247	3802	2052	3264	5553	3997	2789	0	3571	10379	Phytochemical	0.47368422	1.0	0.05263158
16	C19 H19 O9 N1	406.11325	406.11374	-0.10641593	406.11322	124124	143106	120539	120295	118387	87714	39832	64115	130872	453152	185116	40870	220398	70044	60098	79513	42899	185780	175582	266688	313349	291019	85866	82583	50662	141735	43047	118062	56035	44912	52922	48837	87749	49363	517646	47903	91235	55565	52123	282902	244033	65075	3991	510	928	186300	239030	875	67807	48340	128946	134508	94095	745	158305	105390	57141	79000	76028	55222	73442	198406	219747	139586	51127	141544	80778	39823	167656	224382	214364	58496	47379	35854	40448	38098	493	45351	85846	188887	58836	141635	56369	144934	125753	73299	82139	65651	66621	85762	107506	154486	152295	249595	355285	1132	130349	137165	84069	86565	93981	77691	33089	75553	144375	77152	94881	715	56273	222524	Phytochemical	0.47368422	1.0	0.05263158
26	C19 H19 O9 N1	406.11325	406.11362	-0.17399375	406.1132	5801	5298	5093	7718	6563	4167	0	0	6585	15262	4365	0	9482	1999	0	0	0	11643	12327	8036	9887	16840	0	0	0	0	1912	2923	0	0	0	0	4438	0	14607	0	3446	0	2693	7993	8933	0	0	0	0	7765	8030	0	0	0	4068	6198	5064	0	10179	0	0	2628	0	0	0	6442	12794	6734	0	8604	2542	3047	5543	5809	8198	0	0	0	0	2215	0	2745	4301	8773	6896	4908	0	2149	7181	0	2727	0	3870	2764	2465	3580	5394	9192	20947	0	3524	9706	3541	3837	4409	0	0	0	6107	2835	0	0	5397	13352	Phytochemical	0.47368422	1.0	0.05263158
22	C19 H19 O9 N1	406.11325	406.11368	-0.13519447	406.1132	13423	12771	10427	12131	19282	11185	2992	5991	23109	57203	17780	3694	27799	10600	5873	6803	6030	26565	19747	23303	29111	44491	12822	10912	7138	15197	4682	7390	4257	6237	4649	7144	11774	2932	47283	2192	9663	7683	3569	24710	25396	8815	2409	0	519	25458	41402	0	6055	4346	16975	14438	16797	486	23659	19065	10315	8545	5675	3886	9301	27301	30073	21743	6787	23495	11394	4706	15774	23862	26207	3526	4862	4542	4258	1974	948	4344	13469	27498	12471	20616	6015	10346	29731	14435	10282	7650	8949	5645	8862	15080	11675	39175	57138	0	12599	13105	11723	13970	14767	7752	3226	9837	24505	8574	16063	0	9264	38311	Phytochemical	0.47368422	1.0	0.05263158
18	C19 H19 O9 N1	406.11325	406.1137	-0.119812	406.11322	91510	86144	87365	80670	73157	56214	28886	40932	83063	272539	122597	22566	154079	43468	40493	47245	29231	123552	117784	182391	178455	190829	56372	51858	34226	87887	23740	80398	37438	24606	30312	25961	49411	32740	290511	32864	60532	30307	29967	173149	140703	35531	3976	413	667	132724	154510	658	39601	29634	84167	68886	66509	705	112875	72909	41886	55899	40335	31736	49610	128561	144392	93005	35529	107737	49689	28026	111540	117115	122942	36479	23425	20194	20642	24275	560	38916	59057	129344	47047	97316	32426	91613	99806	57143	54596	41334	43046	45929	69322	89332	82668	148124	220791	982	86665	71286	70652	68022	67431	46860	26642	48995	97911	45421	57464	412	46281	137939	Phytochemical	0.47368422	1.0	0.05263158
10	C19 H19 O9 N1	406.11325	406.1138	-0.108497575	406.11322	83366	90639	70737	74444	67608	39403	30270	46476	81436	230184	138012	38970	126279	33012	34735	51763	47459	86266	99758	148221	206483	163959	43640	53008	22462	75138	29475	70265	41699	34564	33136	47358	58170	38255	305845	39359	52553	37069	59328	152609	208028	37134	1723	0	0	112324	176050	0	50708	37692	81851	91280	47536	0	103769	61867	32521	57735	51033	52902	55805	107709	135202	83977	29259	86170	42089	56770	139343	130544	203326	45416	34261	33163	33146	41270	0	30963	55061	77866	44144	83237	27458	59361	70649	37091	45293	44597	41691	75704	42581	67647	74771	139029	154251	0	82861	77230	64887	70041	63363	53265	36111	48657	101846	48033	54449	0	29078	125739	Phytochemical	0.47368422	1.0	0.05263158
6	C19 H19 O9 N1	406.11325	406.1139	-0.11822124	406.11322	19134	18087	16873	17480	15567	8105	5134	8939	23657	46494	33716	6895	33883	6782	8271	13765	11718	23788	24243	25304	54370	32696	11720	11676	2403	9639	4567	14957	6046	5845	7279	8932	11425	7214	56206	7422	10668	6676	15162	21595	46503	7423	0	0	0	17538	36177	0	11143	7488	16278	18377	13057	0	26085	18491	10464	8812	6616	11768	12536	20486	42379	27283	9095	24984	12784	15037	24024	17819	41785	7335	7116	5865	5245	7128	0	5727	10600	10127	9371	13416	5483	10657	24784	8423	11043	11813	10275	18734	4726	12118	15528	30926	28941	0	18995	13916	17706	24745	20480	11535	7542	9885	15673	12105	17046	0	7068	37947	Phytochemical	0.47368422	1.0	0.05263158
2	C18 H19 O8 N3	406.12448	406.12524	-0.07013499	406.12445	4560	6174	3994	3250	7202	0	3748	3994	10286	7020	6642	4920	15158	3890	4608	586	7730	11340	9554	3650	18404	8314	5490	3626	762	978	0	0	3096	6044	4070	1992	10736	5906	7506	3270	7636	2126	9452	5266	15564	24708	0	0	0	4904	10114	0	3348	1816	6472	5522	6168	0	9452	6086	3082	8668	3262	4932	3258	3628	17854	11502	0	15330	4586	9208	2340	5554	7416	2266	1268	3846	0	2426	0	2222	4364	0	3318	2710	2206	3664	8774	4088	6788	8142	4474	12314	0	5430	17158	8234	0	0	5182	5288	6490	10490	6184	9800	3738	4546	3716	10048	5890	0	4389	15246	Peptide	0.44444445	1.0555556	0.16666667
8	C18 H19 O8 N3	406.12448	406.1251	-0.1173618	406.12445	38439	42654	34834	37493	27446	18968	20882	34606	0	43565	30605	29848	42168	11182	25936	43555	41093	29720	0	41905	51739	66360	35515	43293	16886	7524	19838	13576	29251	0	27589	31497	33924	28848	60690	27679	42132	21750	0	56730	71175	49108	0	0	0	57299	69918	0	34835	0	32898	41895	0	0	0	50536	0	29958	29871	36096	48200	44578	51508	37392	22974	0	26687	50223	24355	22315	33151	31884	31218	22448	20991	26268	0	22361	0	25155	30232	29023	19531	20123	0	17468	34667	30428	24356	69572	22207	50202	68265	48915	0	0	37777	35819	22263	31004	22635	36020	24171	44898	35683	39290	24578	0	21954	52636	Peptide	0.44444445	1.0555556	0.16666667
12	C18 H19 O8 N3	406.12448	406.12488	-0.092159286	406.12445	32770	24765	0	27120	22407	15937	22718	0	21778	30256	21834	0	27971	0	22690	25928	40355	0	30585	30352	39938	61819	0	35632	19774	5134	17061	0	0	18700	0	24605	38479	22258	0	0	0	0	0	45220	58426	16964	0	0	0	0	44121	0	21384	0	0	25985	21579	0	34721	17649	12114	0	27192	25944	30456	0	37120	23976	10910	28990	18797	36636	20322	21824	0	18857	0	0	0	19604	0	21793	0	31227	26038	26517	18774	14413	0	15078	34812	18519	18354	78899	19575	32787	0	40252	0	0	0	27172	14843	13407	13115	0	0	24703	0	35821	16304	0	23181	38370	Peptide	0.44444445	1.0555556	0.16666667
10	C18 H19 O8 N3	406.12448	406.12494	-0.13295917	406.12445	43406	0	38212	38920	0	0	23914	0	32581	0	0	30611	0	11094	28351	0	0	37621	41033	0	0	0	0	45781	17302	7529	24753	24134	0	0	27059	29400	40603	27276	0	29567	0	24791	44734	58032	64068	0	0	0	0	48886	53098	0	32873	0	0	0	47894	0	43419	21569	17330	0	35750	41513	33250	39414	0	0	0	0	0	0	24635	23136	34723	31179	26941	24063	27213	21549	0	0	38004	23502	29720	33192	22413	19203	24479	0	30778	0	0	0	24272	45657	0	44361	49404	0	44184	37388	43704	26489	21595	0	21089	42597	33358	39673	18936	0	32022	52305	Peptide	0.44444445	1.0555556	0.16666667
6	C18 H19 O8 N3	406.12448	406.12512	-0.12836441	406.12445	25134	28130	25146	25998	17827	11615	13317	27869	0	25561	22274	17967	27428	7322	18103	31003	24500	27904	29328	23919	39860	39539	19832	31265	10928	6108	12142	8442	18117	17565	19656	21881	31573	18579	43049	17833	25398	17865	30776	31155	46111	13535	0	0	0	36916	55836	0	25778	20686	30783	28824	17216	0	26790	17811	13625	24227	18365	24900	26802	24295	38730	25990	15097	0	20122	36069	13499	13926	24306	19586	16417	17861	14113	17007	0	13337	19639	16571	17577	22524	11671	12185	24380	14347	20140	20479	18077	45232	12179	25917	48006	25143	26335	0	30167	25698	14126	0	23190	27133	16622	29474	23433	26363	17102	0	15056	37553	Peptide	0.44444445	1.0555556	0.16666667
22	C23 H19 O6 N1	406.1285	406.12888	-0.1268062	406.12845	0	1580	3442	1825	1789	0	0	0	0	5036	7255	0	0	0	0	1384	0	0	0	0	5886	1907	0	0	0	20021	0	9766	0	0	0	0	0	0	4353	0	0	0	1683	3433	10703	1513	0	0	0	3610	8057	0	0	0	2316	1631	1459	0	0	1430	1127	0	1045	1771	0	1759	0	0	0	1434	0	1712	20252	17161	26291	0	0	0	0	0	0	0	0	5682	0	4216	1454	5366	0	0	2010	1358	1722	2944	1947	0	0	4233	3581	0	1528	2310	1360	0	0	1675	0	1299	4314	0	1841	0	0	0	Phytochemical	0.26086956	0.82608694	0.04347826
18	C23 H19 O6 N1	406.1285	406.12903	0.030194515	406.12854	0	0	2426	0	1394	0	0	0	0	3885	6137	0	0	0	0	0	0	0	0	3640	6516	0	0	0	0	25182	0	5223	0	0	0	0	1965	0	3191	0	1844	0	0	1357	10964	0	0	0	0	4404	4316	0	0	1564	0	2002	1192	0	0	0	0	0	0	0	0	3726	0	0	1396	0	0	0	21535	21752	37024	0	0	0	1727	0	0	0	0	6706	0	2275	0	4808	1515	0	2421	1133	0	0	0	0	0	3849	3407	0	2567	0	0	0	0	0	0	0	2606	0	1364	0	0	0	Phytochemical	0.26086956	0.82608694	0.04347826
0	C20 H23 O6 N1 S1	406.1319	406.13263	0.2695288	406.132	3351	2148	3597	3108	1858	0	0	0	0	0	0	0	0	0	0	0	0	2739	0	0	0	0	0	2268	0	0	0	0	0	0	0	2806	0	168489	0	2186	1414	0	0	0	0	3378	0	0	0	0	0	0	2893	0	2422	3421	0	0	0	0	0	0	0	0	0	0	0	0	0	2738	0	0	0	0	0	185532	44797	0	0	0	0	0	0	0	0	0	0	0	0	0	0	58692	1534	0	1641	1202	0	0	0	0	2837	4675	0	0	0	1848	0	0	0	1560	0	0	0	1433	Organosulfur	0.3	1.15	0.05
10	C16 H23 O11 N1	406.1344	406.13492	-0.20956351	406.1343	57164	61005	54048	53105	75199	47804	23210	42051	110129	81624	63510	43309	187258	33036	49266	42694	45765	141208	119882	83761	117617	70451	72826	56363	18433	36064	30852	26798	38439	42876	35115	38620	38180	33411	97046	44999	41710	29966	43347	57145	75679	61406	1371	0	0	54565	75080	0	32639	32276	51389	55648	65074	495	191080	114209	45218	46176	33919	48413	45384	52370	138147	136103	35201	83176	50630	45953	52055	35058	46960	35024	32879	32701	43043	36700	0	29922	46267	41990	39362	38292	21782	32444	114541	51847	35251	49060	41270	35192	21769	48443	62193	73603	72937	0	58201	66547	80338	82473	97729	66623	31926	37093	0	43610	92738	0	19548	162839	Unclassified	0.6875	1.4375	0.0625
8	C16 H23 O11 N1	406.1344	406.13498	-0.17782009	406.1343	30374	33346	25965	32187	28804	21097	9287	30548	48873	39769	39023	17097	92794	13067	22470	30279	38133	59395	67462	47008	56205	36052	30476	35028	9187	11963	12592	9729	22410	19670	18397	16676	20145	11733	55254	26023	24275	19923	28714	25266	42037	34299	0	0	0	30878	51529	0	22899	20684	27721	29313	24983	0	79946	58682	21898	20711	20668	26547	23372	24201	72520	58840	18527	47103	31008	22899	25727	18799	31941	17030	22417	16254	21861	18786	0	15543	27638	29014	21846	19046	11464	17950	59019	23356	22337	20389	24213	21972	0	12307	33309	39732	38557	0	34796	39588	41873	54872	65086	36299	18919	33297	16249	21321	41233	0	12202	80928	Unclassified	0.6875	1.4375	0.0625
6	C16 H23 O11 N1	406.1344	406.135	-0.08396765	406.13434	14292	15336	12331	7556	13586	8973	2902	13187	19182	20947	13429	10692	37666	4997	8135	12649	10390	26115	24282	13906	26268	17252	11952	14795	4072	4704	4250	3493	7742	9462	9333	8285	11126	6217	24018	7068	7923	5360	9835	7780	17360	11895	0	0	0	10982	14721	0	6595	11403	11886	15236	9676	0	26776	25737	9616	9767	6971	9421	11724	6257	28235	17463	9893	18365	8759	8725	7625	8264	14160	6119	7841	6834	4722	4600	0	8667	9177	8108	9223	8881	5375	3812	25900	15690	8029	9333	9480	12945	0	7110	15311	14041	11534	0	14135	10041	12169	19559	34986	11440	9522	6773	0	5966	18313	0	3968	24941	Unclassified	0.6875	1.4375	0.0625
14	C20 H23 O8 N1	406.14966	406.15018	-0.088687696	406.1496	286148	296912	258876	280804	165657	143292	158456	247590	194521	755943	386070	131345	232526	125667	172501	229951	173999	243972	247653	657917	767204	523413	184965	238834	172443	478175	126937	356594	210998	207705	187736	250133	255032	170366	993937	209976	231600	138345	170925	599489	495576	145174	5816	841	543	372665	356242	711	208334	217930	273919	249073	146392	1050	238923	134486	108898	247540	288890	195192	270171	414307	261626	203607	95803	189574	153979	157994	500280	765459	611612	210965	194300	200752	149172	190800	440	153811	180652	298836	156102	243677	184626	342068	170268	115908	169856	142213	157965	274261	244864	287357	328068	295245	447493	1275	275537	280368	131613	133097	130513	234839	131092	294527	310688	209776	129847	580	160456	257349	Phytochemical	0.4	1.15	0.05
16	C20 H23 O8 N1	406.14966	406.15012	-0.074156456	406.14963	259709	272287	272776	252812	185485	152994	131827	210030	214018	808825	351280	132652	269280	115126	162853	217890	139795	297458	287440	694055	681626	445119	178884	240393	167377	511894	117852	307091	187663	183302	194429	198411	239807	176117	959047	197824	248112	138316	155122	596172	415837	137394	6192	862	1233	355018	315570	1385	225790	189005	268546	282897	165484	1647	244389	150522	113297	216654	192250	154660	236065	365886	264699	199940	86777	222901	171861	141035	459685	767963	633141	223564	186623	196243	129407	179298	733	130686	194646	255429	139954	235751	178789	357665	196358	125595	164892	142008	149560	202218	250558	317549	375285	305980	479279	2440	270355	286855	142982	130282	152803	218875	117699	247145	201176	226532	145545	1285	156214	300208	Phytochemical	0.4	1.15	0.05
26	C20 H23 O8 N1	406.14966	406.14996	-0.21529523	406.14957	7619	6387	8239	7506	9268	5140	0	0	6270	23047	7823	0	13685	3355	0	0	0	9794	10582	10313	18430	14875	0	8047	0	8594	1651	4430	0	0	3103	4281	4609	3926	20916	0	6357	3556	5850	12687	14594	0	0	0	0	14405	10888	0	4492	0	8282	5566	5653	0	9032	0	3677	5040	3621	0	6739	7620	13302	6669	0	9601	4636	2839	15114	24308	29781	5889	4388	0	0	3810	0	0	7763	7902	4079	6327	2668	6298	7414	0	5155	4627	4384	5456	5438	3862	5674	5909	14609	0	6290	8540	7127	5155	5698	5519	3082	5606	5802	4311	0	0	3234	7662	Phytochemical	0.4	1.15	0.05
4	C20 H23 O8 N1	406.14966	406.15033	-0.15683931	406.14957	17317	17903	15575	17029	12754	13335	5399	12134	19007	38364	23446	7931	22854	8728	8933	12387	12594	16744	17749	31738	40921	30528	11293	12381	6065	16100	6045	13672	10586	8206	9906	9585	13547	7612	49130	9660	12643	8700	15333	22352	32184	10754	0	0	0	20432	36495	0	8300	9850	16233	15456	10330	0	23083	14370	7155	10303	8654	13371	12726	17501	21216	16651	8359	15850	9598	14814	23288	22248	32936	8255	8711	8680	5346	7491	0	7085	12890	16076	8964	14773	7481	11224	17942	8170	11528	7112	9654	32036	11490	13326	18239	23319	29879	568	14556	20110	18456	20020	17710	11098	8002	18257	15620	10210	13267	0	6894	24126	Phytochemical	0.4	1.15	0.05
8	C20 H23 O8 N1	406.14966	406.15024	-0.12915309	406.1496	99112	110017	88225	213142	59508	53840	43223	72840	74519	604988	150844	103198	111164	33793	50957	82367	115326	81235	203830	500854	577438	198147	123982	183974	37489	100416	42439	106662	64282	61010	123648	79268	85244	63139	409380	58550	166422	48648	74557	206124	423936	45839	894	0	0	143290	170771	0	81648	126748	99418	105141	54758	253	103200	55380	33361	73569	61443	68230	88697	134202	107814	84631	34767	82785	57067	76281	154422	194471	237694	72890	126400	60613	44716	62746	0	44725	72108	85430	104218	92295	99550	93107	61214	34832	62039	46877	105066	84523	78329	114860	112904	127296	179470	610	102718	104952	62546	58284	53621	72491	46346	108324	72681	74648	53033	0	44717	112468	Phytochemical	0.4	1.15	0.05
6	C20 H23 O8 N1	406.14966	406.1503	-0.13183598	406.1496	111376	114936	102534	50018	33829	29019	22134	42826	48765	159605	78250	25758	63815	21836	30285	77938	32375	52247	61456	115060	159723	105091	70302	49926	18023	48003	19072	58283	30718	35710	34749	74960	47373	31359	209760	35053	85056	58218	40412	77025	111187	25325	0	0	0	65116	104292	0	42517	34519	51106	55995	31159	0	58320	34851	18429	42283	30675	34381	38550	63936	64519	48628	18206	46482	32549	45287	71179	87366	129188	31570	34315	27301	19952	32309	218	20839	62552	39487	29086	44169	25643	44418	37650	21402	32886	27052	28287	107290	36239	48230	122092	146846	96205	0	50268	49294	31385	34186	42925	45579	24994	52240	56662	78520	32581	0	19093	68099	Phytochemical	0.4	1.15	0.05
10	C20 H23 O8 N1	406.14966	406.15018	-0.12642935	406.1496	162040	160618	154955	146130	88851	76402	77106	142887	103944	956802	191405	82453	137332	57693	90221	117828	98610	121191	148496	707996	829844	277831	106848	286142	68111	209648	78981	148737	99517	106892	94997	111175	136760	96686	564663	110143	141324	154484	109850	325676	314047	71705	2824	0	0	211766	232766	0	124018	106338	306218	165941	77737	408	147327	75094	45600	266240	108866	108389	128587	196044	142741	114521	45237	109938	79444	110579	268357	348606	359205	114132	102048	103077	83637	94017	0	78411	113664	109002	86153	139814	93308	142808	93426	62173	95204	67938	67634	135873	116014	148183	181992	170156	254292	869	168803	153191	77157	71493	70486	115505	69451	149479	152897	114375	68233	0	78386	158956	Phytochemical	0.4	1.15	0.05
12	C20 H23 O8 N1	406.14966	406.15018	-0.10093464	406.1496	205622	224251	210101	206603	118406	117490	145160	204666	145993	537239	293580	113378	155562	66398	124762	174342	150884	177398	202916	541532	574294	387950	152827	197418	116095	331560	106248	245363	165218	148302	151447	166400	206990	142465	783613	157890	174244	127361	160174	471040	447783	102167	3144	703	512	311940	316748	410	176628	175408	212338	212810	119632	828	197641	96969	77806	184209	197816	170385	178753	317368	216949	141692	65279	145611	111659	175607	434083	562445	542732	165178	134173	157434	134472	143168	330	125673	143687	218008	129686	215603	147268	238550	126907	82369	150932	87771	113998	230841	189354	237523	242016	247892	284981	1427	223666	242477	117598	88613	95073	194676	102861	211475	223476	174204	96494	520	119213	213180	Phytochemical	0.4	1.15	0.05
2	C19 H23 O7 N3	406.1609	406.1616	-0.17360622	406.1608	11023	10150	9593	10495	7912	0	10330	15295	8542	9258	6006	12050	11322	3353	10573	4415	18261	10309	11514	9012	17953	17106	11459	13041	5346	2496	1948	7305	11538	6950	13689	10341	19245	10398	16461	9956	14146	11446	21107	10415	18207	8665	0	0	0	8025	12032	0	10903	8703	11966	12024	9353	0	11756	5602	6371	12017	8095	11940	5233	7333	12870	10867	5600	12563	10056	24582	4580	7109	8235	11792	11219	9009	1837	11506	0	8933	15383	5895	10583	7491	8455	6138	7885	6576	15319	13337	9348	31698	8225	14654	26937	10672	2468	0	12845	13684	6032	6608	7182	8963	9627	10170	8644	14979	5015	0	10743	12866	Peptide	0.36842105	1.2105263	0.15789473
4	C19 H23 O7 N3	406.1609	406.16153	-0.1999197	406.1608	18603	27919	21260	20761	10679	0	11218	24602	13569	21198	14141	15295	17241	6277	19451	26539	31723	16699	21440	20976	24865	39575	20229	31023	14404	5791	15558	7336	17085	17824	18797	18392	25636	16626	32534	18194	25474	19369	43014	26039	36811	12970	0	0	0	27909	37211	0	23815	20032	21957	19891	12284	0	0	11362	9177	20726	20716	26152	25378	18615	16953	13545	8995	15165	12246	35502	12540	12121	16791	0	17160	0	12583	17388	0	16068	23564	20518	20407	17772	15707	12959	14896	11180	19377	16287	14162	40250	35147	29143	44517	20870	21792	0	21052	27184	12189	12775	11155	24187	16145	29718	17400	22924	10463	0	15199	18228	Peptide	0.36842105	1.2105263	0.15789473
12	C19 H23 O7 N3	406.1609	406.1614	-0.21570285	406.1608	77022	0	79364	70100	28006	28930	0	107145	33440	104434	40193	0	32176	12049	64712	0	0	52084	56047	81219	64527	119013	0	106918	80404	17635	0	36982	0	0	0	0	110424	80469	74416	71717	0	71169	0	0	0	42698	0	0	0	86877	0	0	0	0	0	0	0	0	37886	15406	0	0	109323	80639	76271	64575	29685	31949	25146	41764	0	0	22515	0	42091	0	0	0	0	58498	0	0	70644	61302	0	0	75792	46795	23970	26645	0	0	0	0	89838	100478	0	0	0	0	0	74428	27654	0	18589	0	53659	81497	55562	0	21374	0	0	42128	Peptide	0.36842105	1.2105263	0.15789473
2	C16 H27 O7 N3 S1	406.16425	406.1647	-0.3860929	406.1641	0	0	0	0	410	0	0	0	0	0	0	0	0	0	386	0	412	645	0	0	0	622	0	720	292	0	0	5627	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	497	842	0	0	0	639	0	0	0	0	0	677	0	7591	558	0	0	0	0	0	0	0	0	0	24371	13203	0	1040	0	0	0	0	0	0	281	0	0	216	0	0	0	0	0	465	Peptide	0.4375	1.6875	0.1875
8	C16 H27 O9 N3	406.182	406.18277	0.36089468	406.18216	1359	1904	0	2047	987	961	1707	3923	0	782	0	1295	878	0	2630	4078	1205	0	0	1372	0	1872	1268	28112	9032	0	0	0	4817	2740	1895	3748	1872	2559	2884	1002	2001	732	3785	1135	0	638	0	0	0	2305	0	0	1861	1212	2961	2150	0	0	1332	0	513	0	0	0	0	0	0	706	0	0	0	1984	0	0	0	3029	3644	2323	1647	2162	0	2468	1232	3477	0	0	735	0	0	0	2710	0	1151	4422	0	0	4074	0	0	0	1989	1513	0	0	0	1180	2035	0	0	6006	0	0	2564	0	Peptide	0.5625	1.6875	0.1875
26	C21 H27 O7 N1	406.18604	406.18643	-0.16474144	406.18597	14072	11429	12351	10641	14339	10099	7005	11775	12086	20936	11632	10924	17793	5890	9967	14865	8734	16021	19092	25686	30669	15404	16112	17025	8706	31197	4521	12305	15451	11817	11008	8097	15813	11362	22906	13324	10871	8476	11823	18596	20408	11938	5748	7665	0	13490	16928	0	11419	11022	18681	13009	12636	0	13724	11457	6967	10417	7826	7160	17503	13176	13333	10658	5559	17959	7839	10378	35543	44489	47589	16155	11550	13769	10058	7375	0	6011	13360	8721	10933	7155	7972	11896	15561	7756	10631	10186	7473	12239	8608	7291	15540	11365	16064	0	15831	11606	9776	10207	8002	10105	7359	11031	8533	9258	12085	5178	7375	18664	Phytochemical	0.33333334	1.2857143	0.04761905
6	C21 H27 O7 N1	406.18604	406.18665	-0.20416935	406.18594	61787	66338	55886	62169	28376	27230	31625	70297	27361	124028	54029	33635	35272	16196	40584	67415	41988	40628	54221	127582	138116	171154	39694	64021	38597	58923	29459	50509	60193	58300	54447	64634	67489	53438	294544	53849	62500	35166	47599	83673	140828	29109	0	0	0	60349	67942	0	71395	58913	63416	60453	30051	250	42466	20526	16954	67533	23755	29610	63443	52951	34293	30089	14399	38029	32371	52020	56117	114380	95766	54068	53340	57000	34905	48017	0	36053	77744	36018	30562	54794	57010	46866	24574	23698	33263	28666	31793	121240	68518	73575	87339	51459	87621	0	58528	52086	16887	20752	23278	62164	30366	77399	30606	54479	18088	0	33798	38329	Phytochemical	0.33333334	1.2857143	0.04761905
22	C21 H27 O7 N1	406.18604	406.18646	-0.1686714	406.18597	109519	101124	98051	95890	95873	80437	44394	100904	83603	230934	135103	57230	117225	63972	68478	94151	67292	121369	117746	254969	265832	124853	81884	109072	70894	248779	35461	130586	96021	69185	72853	89794	86800	87492	233710	82496	107051	51383	57452	185489	137967	66562	3135	0	787	123367	111493	0	94013	84167	100290	100813	85423	1113	109779	76885	49608	91859	68524	50766	94310	122470	103369	82864	43585	115768	74486	61280	232333	325092	290330	89549	72685	68083	46612	65696	772	56675	78278	75624	71220	78533	56824	105943	101921	59307	70672	68200	71709	81279	111146	116570	141015	91766	147576	0	105570	116225	64168	85463	82042	105551	51675	94811	87116	82941	72369	0	57678	121381	Phytochemical	0.33333334	1.2857143	0.04761905
12	C21 H27 O7 N1	406.18604	406.18655	-0.1841662	406.18594	119095	121023	127591	117810	61291	56876	107013	145233	75835	211866	115666	72746	74047	46078	92195	135896	124225	93885	116235	276633	283569	180694	101968	155407	94069	187107	68768	111638	115230	105761	103787	123859	154379	102581	304354	119621	111626	76884	128225	207338	215848	72091	1603	455	358	154645	152542	0	135699	116905	130251	127688	67307	403	90435	50400	41801	141797	84869	123656	106554	128777	78913	64015	36197	76830	67716	138625	203323	279169	262531	100860	106995	113806	107020	104216	562	82485	95052	99936	86442	85229	88609	116882	68298	48900	88394	49082	76190	181735	141260	154257	178359	114629	140502	940	134791	147649	57479	48667	53103	137001	74961	146525	87838	118083	51587	0	92019	91084	Phytochemical	0.33333334	1.2857143	0.04761905
28	C21 H27 O7 N1	406.18604	406.18643	-0.26929158	406.1859	5232	6725	6008	6923	6849	5109	4001	9346	3403	10573	5726	3308	8453	2783	7064	8817	6636	8202	10021	11095	15528	7731	5921	9907	2566	14151	3209	8081	7630	6267	5919	6471	6319	6010	10687	5931	7298	3906	6302	7585	9211	5804	1826	0	0	4746	7013	0	5889	7369	7396	6197	5713	3618	6063	4763	3670	6924	3782	3748	6842	5747	6907	5691	3239	7627	6493	5947	14448	19712	24538	5427	5388	7055	6774	5199	3712	5083	5408	4289	3486	3997	3320	5811	5721	5324	5190	5105	3930	6712	7143	8303	7968	4994	5630	0	5364	8143	3578	5582	7386	8443	4412	7474	3624	6732	2274	0	2856	7210	Phytochemical	0.33333334	1.2857143	0.04761905
10	C20 H27 O6 N3	406.19727	406.1977	-0.25229132	406.19717	44576	44008	36753	35945	15942	16356	25245	45937	9721	38728	29933	24921	0	8031	0	39219	30800	15061	24428	47806	38208	50010	0	52328	0	21539	26251	55188	38779	0	30873	38697	0	35272	39308	37442	0	23827	32829	42741	30825	17618	0	0	0	41243	28342	0	45837	0	0	42291	17743	0	12330	5312	10178	51232	24372	22731	37165	22626	8196	12856	9746	15538	18101	31776	16805	30834	28340	35414	0	31254	24989	28056	0	24769	29204	58478	0	0	29480	22383	6837	9365	30090	16134	18423	46862	752199	324864	77894	50706	47585	0	0	0	7779	4476	5764	0	26678	48234	17917	0	11852	0	32777	11127	Peptide	0.3	1.35	0.15
6	C20 H27 O6 N3	406.19727	406.19788	-0.23959713	406.19717	31883	35224	32550	34345	12321	17859	28320	43944	11713	35187	21012	21943	13085	8218	29352	40829	28450	17531	27650	38528	36800	51738	29970	52663	34700	9454	24732	36912	39128	29333	0	41871	45380	32713	42612	34914	44186	24780	36036	39243	33579	16217	0	0	0	35148	30473	0	43685	30820	38739	36113	15990	0	21422	5703	10811	45455	20377	16774	45728	28794	10346	12135	12093	15472	18588	40503	10275	19864	16111	32126	26703	31807	22698	28753	0	24883	27642	56497	21594	17427	30407	28361	6915	13914	29368	16983	20107	56449	146207	94653	73582	31163	43239	0	33281	32755	7890	4424	7347	39970	19476	53461	21825	39673	9492	0	30436	15030	Peptide	0.3	1.35	0.15
2	C20 H27 O6 N3	406.19727	406.19797	-0.20483676	406.19717	8996	10521	8929	7127	3550	0	11230	14487	3000	6178	5523	10042	3663	2153	12499	4825	13320	5047	6007	9290	11529	12737	10582	11392	7743	2847	3240	6267	14327	8132	11138	11228	14510	10661	9814	12927	11734	10169	14029	9243	11308	6493	0	0	0	7478	7635	0	10690	9814	8983	9750	4612	0	6842	1749	3650	9462	6773	6203	5935	6323	3943	4737	3450	4572	6222	18303	2548	5571	4838	10502	9857	9911	4331	7957	0	9870	11621	8308	9164	4867	7739	7043	2664	4057	12090	6420	6447	22098	13444	17300	25551	9411	4406	0	9542	11197	2459	2164	1885	8585	9436	12413	6346	12783	2639	0	11157	4006	Peptide	0.3	1.35	0.15
14	C23 H28 O4 N1 Na1	406.19888	406.19974	0.12766866	406.19894	71493	69171	63879	60642	22485	33306	55377	70137	23466	39768	14820	49086	16008	11913	60063	77547	73557	26325	38430	70026	62355	103431	0	99933	68052	19614	56229	44991	120693	17179	32127	109910	77823	60414	59073	155687	78327	59460	74358	63033	57489	28896	0	0	0	54282	48522	0	81046	63648	61929	57168	37422	0	25275	11997	28206	89784	74283	62379	78732	33570	10716	19608	21183	23541	34659	56907	0	22578	33651	67920	81938	71811	47373	148266	0	45300	58014	105276	41526	42195	59169	31122	15873	29787	57255	40401	40092	0	220572	0	168465	53004	68247	0	64284	56229	15096	18474	18843	75081	48162	111822	0	77100	15132	0	67947	18402	Phytochemical	0.17391305	1.2173913	0.04347826
10	C17 H31 O6 N3 S1	406.20062	406.20074	-0.18997255	406.20056	2663	0	3558	3219	0	3401	0	0	0	0	1645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2095	0	10207	0	0	0	0	0	0	0	988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	448309	221060	0	2869	0	0	2949	4295	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.8235294	0.1764706
6	C17 H31 O6 N3 S1	406.20062	406.20087	-0.20666413	406.20056	799	0	1021	0	0	6988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12015	0	0	0	0	0	0	0	0	0	0	0	0	0	648	0	0	0	0	0	0	0	0	824	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23094	0	0	0	0	0	0	0	0	0	0	89613	41539	0	2998	0	0	0	1533	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.8235294	0.1764706
8	C17 H31 O6 N3 S1	406.20062	406.20068	-0.33980247	406.2005	3014	2505	2458	3633	0	14404	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	534	0	15425	0	0	0	0	0	0	0	0	1161	0	0	0	0	0	0	0	0	0	0	0	0	0	1712	2981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10350	0	0	0	0	0	0	0	0	0	0	234913	158317	0	2944	0	0	1779	2291	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.8235294	0.1764706
8	C18 H31 O9 N1	406.20715	406.2077	-0.203246	406.20706	11348	7809	8141	10251	3745	2457	5958	12832	2949	8489	2791	6161	6283	1689	9599	13242	5822	6624	9186	8948	7370	4943	11173	14640	8119	5802	4618	6914	12061	12067	10300	13740	11330	5849	7302	11390	12829	5494	8890	7348	5213	3676	0	0	0	5726	2632	0	13733	11599	9109	4506	5477	0	7261	4787	2162	14869	4540	0	9474	4224	4471	2695	4131	4572	2824	10092	0	7689	6034	10614	10909	8118	8686	9051	0	3620	7940	6250	7733	4009	4702	3644	6360	0	8607	4997	3397	16279	17807	15809	22026	0	5761	0	9656	8847	2732	3874	3807	14881	4619	6581	0	11209	3950	0	7455	4762	Lipid	0.5	1.7222222	0.055555556
20	C18 H31 O9 N1	406.20715	406.20752	-0.34408784	406.20703	9030	12139	10465	9815	9323	12805	7868	12303	21054	10087	2613	2919	23409	9146	16522	5482	3207	18533	28221	6232	4674	4874	13118	9596	14562	0	6014	2732	18267	8368	11276	11811	19167	10724	10217	14827	18302	9101	3473	2575	1592	7907	536	0	574	4561	0	0	9482	8798	11039	10903	9202	489	51180	18594	5798	10863	15744	2545	13632	4776	16429	16997	7057	21742	9651	1865	0	4266	0	9163	11466	17244	2407	6236	510	9953	5970	1862	6114	3582	12868	0	6117	9102	6068	3329	10774	7738	13843	18388	10564	1797	4011	0	8753	10943	7021	9011	16732	12397	6630	6875	4676	7715	10824	0	4108	24356	Lipid	0.5	1.7222222	0.055555556
12	C18 H31 O9 N1	406.20715	406.20764	-0.23763207	406.20706	6379	6028	10310	5239	10648	8198	15231	25888	13743	6339	0	9206	14358	7287	22450	9630	15316	22940	23207	4836	7586	0	19865	11335	17214	1619	5524	0	27903	8884	17437	8311	25248	9772	6366	16693	11018	17271	14393	0	0	10840	843	0	0	8237	4989	0	10212	11224	6908	6757	10308	0	25210	11577	10010	10247	12272	0	0	4879	13830	9789	10119	12115	13126	11251	0	0	3466	8212	10904	12370	5644	10115	0	15090	13204	0	12292	5372	14505	8360	20763	9598	13339	7304	11720	10907	0	9903	18527	0	0	0	7481	14313	6383	12328	14544	7454	10471	0	0	15635	15011	0	12046	13128	Lipid	0.5	1.7222222	0.055555556
14	C27 H28 O1 N1 Na1	406.21414	406.21472	0.2896679	406.21426	46484	20340	18813	25182	0	0	22146	44401	0	1964	8545	37256	0	0	27538	33801	61045	0	0	2828	0	0	3160	9303	10337	0	33359	7489	57884	106414	111326	118666	90118	93216	0	122418	61026	18101	42542	0	0	2001	0	0	0	0	0	0	65925	45594	45952	16290	0	0	0	0	0	27122	0	0	50311	0	0	0	902	0	1272	144367	0	2225	1724	70503	126335	170259	262443	96084	0	46706	1975	0	3999	0	0	0	0	0	1209	2633	2041	6296	0	2330	9179	0	0	0	16750	24066	0	0	0	90875	36568	0	0	106413	0	0	9257	0	Phytochemical	0.037037037	1.037037	0.037037037
4	C17 H31 O8 N3	406.21838	406.21912	-0.055396985	406.21838	1917	2115	2287	2277	733	1054	1261	21610	717	0	0	733	3007	0	14147	7738	10585	1744	963	0	0	681	1455	3211	11220	0	1293	0	1084	2132	2447	1138	2963	0	0	1172	2133	8537	12171	0	0	0	0	0	0	0	0	0	6391	4175	2647	1752	409	0	896	1388	633	5672	0	0	8880	0	446	601	0	1516	345	15244	0	0	0	651	0	1473	0	1448	0	1162	1691	0	1635	0	356	0	1490	1222	624	539	389	1943	0	0	0	0	0	0	1997	2268	669	958	1547	3268	646	0	0	2834	1639	0	10503	1353	Peptide	0.47058824	1.8235294	0.1764706
6	C17 H31 O8 N3	406.21838	406.21915	0.13968942	406.21844	3558	3270	0	1365	0	3954	5097	19221	1986	0	0	1857	2766	0	18870	0	0	3015	0	0	0	0	3861	5214	13800	0	2136	0	0	4176	2886	0	7056	0	0	0	3906	8859	4239	0	0	0	0	0	0	0	0	0	4881	5319	0	0	1647	0	3627	1368	1194	0	0	0	5160	0	0	0	0	2670	1527	0	0	0	0	0	0	3567	0	2445	0	2313	1689	6480	1581	0	0	0	0	0	0	0	0	3534	17952	6690	4554	849	0	0	6720	0	0	0	2250	0	2724	0	0	4506	1563	0	10356	1938	Peptide	0.47058824	1.8235294	0.1764706
24	C22 H31 O6 N1	406.2224	406.22275	-0.19764921	406.22232	94164	94103	81665	97119	108189	87067	38447	83707	78396	152777	109428	45883	118494	52663	59238	90350	65818	115957	134575	208953	204216	91693	64242	105265	56526	203037	30534	106180	81441	76469	63454	87904	84287	93987	166246	81887	100521	45392	65729	135454	115565	68718	3736	0	0	99579	97062	0	80839	67503	89110	89929	78643	0	99239	69694	44998	88143	64816	51751	104892	86383	99517	68523	35809	104053	76834	68490	178800	249784	228701	89169	87856	71614	53466	71642	0	54576	71285	60190	53461	57771	57236	94255	93666	57711	77164	56104	66758	89896	103377	109931	116928	73193	105668	0	89883	99921	65860	74612	86986	99415	42475	104705	64173	94479	70358	0	52761	97387	Lipid	0.27272728	1.4090909	0.045454547
4	C22 H31 O6 N1	406.2224	406.22308	-0.19857965	406.22232	14805	14646	15183	14468	1559	4237	11776	24815	1525	13320	6718	13661	2422	1521	14912	20859	20995	2860	6416	18673	18533	16236	12411	20232	19320	6910	15067	5807	20134	18825	21413	21620	20005	17073	18037	24199	17797	12824	21654	13474	12553	6640	0	0	0	12138	12457	0	22091	21721	15046	11399	4858	0	2621	1332	3900	16375	2578	2907	17183	7661	1260	3599	3150	4482	5011	21378	6581	7395	6903	18583	18070	26799	19739	15744	0	14377	13026	16337	11675	3889	7408	11089	2252	3793	10446	5602	8194	19303	21088	14622	23503	12801	19906	0	13037	16308	1770	1025	1938	18492	11273	23403	7043	16468	1407	0	15195	2119	Lipid	0.27272728	1.4090909	0.045454547
12	C22 H31 O6 N1	406.2224	406.2229	-0.23920785	406.22232	48127	45962	51372	37732	17175	17984	45824	85870	17709	69544	37663	38675	16479	12723	39269	64453	61929	21034	33545	99434	85210	48739	38243	60448	48434	52628	50383	35757	69982	61868	65369	73076	82521	68037	94662	73491	62517	40070	76577	77121	69112	25106	0	0	0	36915	44016	0	72111	59929	46243	50434	21877	0	20004	11084	13332	77128	4480	25387	47162	28683	16903	12557	13267	22172	23719	90557	36468	77367	72729	65028	67148	75262	53430	60439	0	46494	39856	30274	38069	14076	16951	39852	12729	12939	40342	21251	25560	106137	66465	40877	83616	30038	48268	0	53586	55285	10576	12789	13324	64583	38442	57829	0	62855	13124	0	36427	19057	Lipid	0.27272728	1.4090909	0.045454547
14	C21 H31 O5 N3	406.23364	406.2342	-0.2020805	406.23355	0	0	0	0	0	0	0	0	0	0	0	1901	0	0	1618	2340	0	0	0	2243	0	0	2473	2905	2442	0	0	0	1709	1915	0	0	2033	1750	0	3446	0	0	0	1692	0	1300	0	0	0	0	0	0	2769	1709	3700	0	0	0	0	0	0	2969	0	0	0	0	0	0	0	0	0	1766	0	0	0	1756	1125	0	1415	0	0	1554	0	0	0	0	0	0	0	0	1450	0	0	0	22815	0	6368	0	0	0	2119	0	0	0	0	0	1314	0	0	1402	0	0	1724	0	Peptide	0.23809524	1.4761904	0.14285715
10	C21 H31 O5 N3	406.23364	406.23416	-0.1041982	406.2336	7828	4923	4875	6733	0	3227	1858	4393	0	2616	3421	1456	0	0	1830	8078	2877	1891	1274	5491	3829	5422	3459	7262	5023	1529	924	13255	4546	3432	4230	6477	8811	3025	3095	4786	5884	2733	3107	4798	0	1918	0	0	0	2359	2094	0	3755	3441	7456	6148	900	0	0	0	727	6587	0	0	0	1169	0	0	950	1708	1523	4602	0	1649	0	2843	2993	2204	2618	1983	0	2338	4907	15487	1549	0	0	1182	0	0	2263	1724	1533	10851	284544	127855	12706	8611	9013	0	6167	5517	0	0	0	1984	1495	4767	0	4846	0	0	3078	0	Peptide	0.23809524	1.4761904	0.14285715
6	C21 H31 O5 N3	406.23364	406.2342	-0.21399531	406.23355	2531	4442	2812	5118	994	1848	3137	4872	552	2361	1125	2592	0	688	3958	8551	2251	873	1058	5144	3794	4616	3601	8980	4462	0	2807	0	4708	3869	4302	4159	5652	3753	3699	3647	4875	3840	4372	4698	1257	1268	0	0	0	3926	1288	0	4572	3842	3986	4379	1231	0	1723	0	873	10113	0	0	11072	2297	0	0	0	1833	1144	4125	0	2376	0	5611	3397	3633	3110	3357	0	3402	12355	0	4407	990	905	3636	0	0	19791	2969	1482	29572	8302	4767	11697	2074	3510	0	3226	4505	577	0	0	3489	2279	5551	0	8459	423	0	11568	0	Peptide	0.23809524	1.4761904	0.14285715
8	C21 H31 O5 N3	406.23364	406.23416	-0.20074323	406.23355	3628	4706	3557	4363	814	5585	2808	4249	0	2158	0	1403	0	0	3771	8920	3142	965	2921	4290	2536	3309	4119	8907	6486	969	2759	5308	4128	3516	5941	3134	7104	4975	1963	3002	6536	4473	4181	5076	1369	1763	0	0	0	4076	1514	0	6609	5385	5100	5027	809	0	1625	714	899	7278	0	0	6178	0	0	0	0	0	1834	4925	0	0	0	3428	5211	2225	2613	3188	0	3495	2968	12123	2548	457	648	1710	0	0	4423	1757	1941	11201	82309	38597	17775	2503	4524	0	5446	4647	0	0	0	2558	2604	3486	0	5518	0	0	3232	0	Peptide	0.23809524	1.4761904	0.14285715
16	C17 H35 O4 N5 S1	406.24826	406.24857	-0.14624359	406.2482	3614	6124	4984	2984	0	0	5426	0	3098	9222	0	0	0	0	1614	0	0	0	0	0	0	10590	0	0	0	0	5360	0	0	0	0	0	0	0	8488	0	0	0	0	10632	0	0	1394	0	0	0	0	0	0	0	9654	5902	0	1256	0	0	0	4210	41160	9334	0	5758	6482	0	882	0	0	3035	0	0	8938	0	0	1498	0	0	0	0	0	9022	0	2480	6185	2734	0	0	0	0	0	0	7912	8160	0	5010	0	0	5086	0	0	0	0	0	0	30756	65114	0	0	0	0	8854	Peptide	0.23529412	2.0588236	0.29411766
18	C23 H35 O5 N1	406.2588	406.25922	-0.2739787	406.2587	7507	9880	6958	5442	4104	4184	3695	8041	2575	4805	7207	7130	1775	2025	4723	11211	19790	5226	4423	9150	8257	7642	3705	6721	4154	10551	7076	7578	10718	8809	4931	9056	10647	7800	0	7875	6885	5868	18389	4153	5585	3086	298	0	0	2089	3430	0	7870	8508	5482	4065	4402	0	2882	1421	0	13666	4003	6035	11227	2148	2752	1228	4711	2340	2742	21275	12409	8047	12173	5120	5226	6874	14995	7769	0	3908	5446	7409	6474	0	4088	4491	4230	3802	10622	5055	2845	37525	14128	7532	15658	2024	4979	0	6746	8100	2923	3457	5054	14161	4856	9632	6935	10364	2993	0	8348	2695	Lipid	0.2173913	1.5217391	0.04347826
14	C23 H35 O5 N1	406.2588	406.25925	-0.16471164	406.25873	3591	7163	8066	3635	3120	2643	3609	9286	0	3793	3405	6070	0	0	3385	9639	4070	0	1504	5893	4933	5706	5313	7689	6079	5245	3033	0	6357	10737	4900	10370	8922	6455	9404	9857	9134	5106	8106	4389	0	3069	0	0	0	3866	0	0	10185	4728	5377	5799	2206	0	0	965	1081	16309	0	0	0	1932	0	1376	1572	2047	2810	9616	0	8315	3998	8403	7266	7770	7840	8061	0	6516	3005	0	3623	0	0	2799	0	0	15263	3078	1448	39136	20425	2874	24215	0	8153	0	4947	2407	1693	961	0	5071	5964	5030	0	8466	0	0	4115	0	Lipid	0.2173913	1.5217391	0.04347826
12	C23 H35 O5 N1	406.2588	406.25925	-0.24047238	406.2587	10705	6894	9945	9133	1039	2380	6705	13808	0	10342	6503	9098	0	1057	8551	17961	11940	0	4065	14541	14485	5519	4456	9297	11276	6511	8678	0	16876	17534	15425	16666	16366	12314	17205	20729	14299	8491	8343	8626	0	3881	0	0	0	3988	0	0	17992	15224	6349	12025	1680	0	0	0	1098	20291	0	0	0	0	0	1826	1129	0	3515	19770	0	11838	6727	12773	18792	24856	9884	19106	0	9565	4461	0	4083	0	0	5733	0	1224	14415	2611	3668	54807	30043	0	31651	6255	12196	0	11186	10969	0	0	0	13914	9547	5477	0	24259	0	0	7728	0	Lipid	0.2173913	1.5217391	0.04347826
26	C23 H35 O5 N1	406.2588	406.25922	-0.21180065	406.25873	34248	26817	29535	32724	49007	27297	17843	27686	28267	32023	40676	13365	38633	27818	22656	30019	25127	39976	53627	58610	53713	31315	24052	30458	30954	87530	15331	46275	37817	32546	24644	33907	40898	32091	47189	36212	36333	24296	26479	44106	37044	22460	0	0	0	27583	26342	0	33948	24406	34409	33783	33032	0	32231	26365	16831	40135	30471	21472	38162	27702	29668	22531	15051	38349	37010	28446	79584	67394	80880	22914	29833	34715	19361	28582	0	21268	27576	34213	14118	23198	31201	39482	31391	19429	55963	24772	26097	77996	63232	67598	50273	32431	34243	0	33219	39006	19828	29799	36742	50495	15692	43703	28462	32545	24429	0	35425	26541	Lipid	0.2173913	1.5217391	0.04347826
8	C23 H35 O5 N1	406.2588	406.25934	-0.23066224	406.2587	13249	11790	12443	13892	1274	32023	10279	22895	0	10114	3907	13292	0	1043	10795	25177	21386	930	3504	14219	10474	9179	8055	18921	12418	3730	13435	4886	19916	21063	21493	25031	22276	17213	10856	19119	24968	9953	21531	10883	2341	9171	0	0	0	6064	5412	0	27546	17551	13215	13166	1032	0	1330	0	745	23524	0	0	20627	3832	0	818	2667	1473	3674	28782	0	4976	3937	21121	23912	20757	20681	19570	0	12775	10708	5452	7624	0	551	6901	0	3568	11547	4140	5957	32624	23366	0	34647	5269	11949	0	13044	12241	0	0	0	25403	10565	13254	0	18514	0	0	9623	835	Lipid	0.2173913	1.5217391	0.04347826
6	C23 H35 O5 N1	406.2588	406.25934	-0.21048519	406.25873	5862	4884	5998	5869	0	1237	4617	12107	0	2511	2620	7435	0	564	5997	12150	10008	825	1153	6418	3949	5785	4995	11319	6432	1165	6881	2466	12094	12652	10533	10770	10807	10244	4004	11657	8243	4713	12453	3865	1711	1771	0	0	0	3226	2445	0	12635	11097	5355	6672	1018	0	579	0	668	11564	0	0	8729	1905	0	0	902	769	2371	15240	0	2178	0	8165	23454	23377	10238	8542	0	7411	4433	3566	4536	328	342	2857	0	0	5170	1740	2832	17135	5837	1847	13206	2913	7636	0	7109	5324	0	0	0	12144	4381	6817	0	9940	0	0	4914	0	Lipid	0.2173913	1.5217391	0.04347826
10	C23 H35 O5 N1	406.2588	406.25928	-0.28737915	406.2587	17346	14627	13931	12072	2224	16719	8566	26729	1282	15908	5932	10648	0	2775	11210	20981	13032	1468	5875	18537	13222	11137	10024	22325	15193	5264	15191	9191	26830	25306	19885	25036	27033	15731	17317	27377	24995	10877	14789	12123	1948	5521	0	0	0	7488	3578	0	23423	21886	13952	13070	2750	0	0	0	1128	25717	0	0	17335	2391	0	1324	2151	1064	4810	22268	0	11685	4467	21136	21982	23748	18768	19047	0	16870	9750	0	4761	0	0	7177	0	1498	15990	4294	5506	45479	32941	3846	40483	5227	22028	0	13311	14425	0	0	0	23778	13578	13020	0	31125	0	0	10844	0	Lipid	0.2173913	1.5217391	0.04347826
20	C23 H35 O5 N1	406.2588	406.2592	-0.28288567	406.2587	13108	21354	19777	19920	18433	12519	18927	18462	8331	19463	25049	11899	13120	15925	13222	33829	35671	10754	24638	25481	33457	15067	13200	23037	14148	57198	14309	26670	19557	20726	14947	23146	26510	20303	24468	21421	19960	13051	40314	15232	27078	15428	1140	1056	330	11521	18363	1361	21116	17363	20945	20868	21533	545	13893	17543	8477	32134	11728	18947	24893	8305	7237	9991	8492	14525	17722	42398	46883	34261	46726	17237	15756	23660	34559	26875	0	10731	23581	25670	11075	6229	17209	9982	24935	13908	29440	16147	12801	64417	40094	24403	38419	12067	24232	1274	23367	23360	11531	19958	25661	34006	17836	25221	8568	19041	16993	1373	17789	13107	Lipid	0.2173913	1.5217391	0.04347826
16	C22 H35 O4 N3	406.27002	406.27042	-0.24771747	406.26993	6337	5688	1775	5744	0	3121	0	0	0	0	0	0	0	0	0	1605	0	0	0	0	0	0	0	0	0	0	0	40490	0	0	0	0	1978	0	0	0	0	0	0	0	0	2380	0	0	0	0	0	0	0	0	4876	7802	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68214	0	0	0	0	0	0	0	0	1144	0	1092128	264018	0	7293	4667	0	3438	6371	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.18181819	1.5909091	0.13636364
18	C22 H35 O4 N3	406.27002	406.27026	-0.14415441	406.27	0	0	0	0	0	4687	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6089	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1143	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	218982	29944	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.18181819	1.5909091	0.13636364
14	C22 H35 O4 N3	406.27002	406.27054	-0.37623882	406.26987	2450	0	0	0	0	2331	0	1623	0	0	0	0	0	0	0	18163	0	0	0	0	0	0	0	4916	0	0	0	17483	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8659	0	0	0	0	0	0	0	0	0	1300	0	0	0	0	0	0	0	0	0	0	0	17015	0	0	0	0	0	0	0	0	0	5905	134756	29986	14418	0	0	0	0	0	0	0	0	0	0	0	0	6190	0	0	0	0	Peptide	0.18181819	1.5909091	0.13636364
8	C24 H39 O4 N1	406.2952	406.29553	-0.2590042	406.29507	1872	3300	2053	2174	0	0	856	40885	0	0	0	20653	0	0	0	42184	0	0	0	0	0	0	0	0	2071	0	939	0	2530	19353	19934	1412	0	0	0	4289	1602	595	0	0	0	0	0	0	0	0	0	0	2268	92257	2978	1557	0	0	0	0	0	6195	0	0	15785	0	0	0	0	0	0	0	0	0	0	4756	0	16736	5436	6783	0	52868	0	0	0	0	0	0	0	0	876	0	0	7087	0	0	2974	0	0	0	2682	2611	0	0	0	0	8569	0	0	2927	0	0	1306	0	Lipid	0.16666667	1.625	0.041666668
22	C24 H39 O4 N1	406.2952	406.29556	-0.130925	406.29514	0	0	2045	1862	0	0	1866	7497	0	0	0	8319	0	0	0	5464	3136	0	0	0	0	0	0	0	1933	0	3034	0	2051	7733	3026	0	3070	0	0	4115	2415	0	3608	0	0	0	0	0	0	0	1357	0	3664	11716	0	2675	0	0	0	0	0	3750	0	1332	2623	0	0	0	0	1454	0	5669	0	0	0	0	1507	9507	2972	3933	0	5906	1324	1935	0	0	0	0	1647	0	5770	0	0	32378	1970	0	3869	0	0	0	0	1611	0	0	0	1709	5334	0	0	0	0	0	2845	0	Lipid	0.16666667	1.625	0.041666668
24	C24 H39 O4 N1	406.2952	406.29547	-0.27410236	406.29507	3703	3288	3606	3682	1127	1155	4410	7269	0	0	2760	6193	0	1330	2422	7403	8663	0	2606	0	2861	2147	1782	2279	5887	5430	5054	3564	3874	6193	5937	4227	6342	2401	1532	5435	4114	2849	10120	3009	2579	1506	0	0	0	0	1441	0	3129	8024	4204	4401	2081	0	1580	1509	1119	5691	0	3235	4791	0	0	0	1189	2122	1034	10276	3218	0	3216	2280	2920	7570	4832	4943	0	2987	2071	5894	1057	1253	1942	2117	2285	0	17434	2452	2083	75915	9622	3889	2652	1769	3026	0	1554	3984	1114	1333	2222	6576	8198	3601	0	3015	1314	0	6481	0	Lipid	0.16666667	1.625	0.041666668
20	C24 H39 O4 N1	406.2952	406.29578	0.11297926	406.29523	0	0	0	0	0	0	2351	0	0	0	0	1067	0	0	0	3212	0	0	0	0	0	0	0	0	4444	0	8787	0	0	3063	1710	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3629	0	0	0	0	0	0	0	1779	0	0	2565	0	0	0	0	0	0	0	0	0	0	0	1258	0	0	0	0	0	0	0	0	0	0	0	0	0	5330	0	0	46481	0	0	3769	0	0	0	0	0	0	0	0	0	0	0	0	1686	0	0	3918	0	Lipid	0.16666667	1.625	0.041666668
14	C24 H39 O4 N1	406.2952	406.29553	-0.15844223	406.29514	0	0	0	3307	0	0	2496	8354	0	0	0	3316	0	0	1923	9105	3674	0	0	0	0	0	0	0	6910	0	6196	0	4287	4967	6278	0	4185	4347	0	4602	1998	0	0	0	0	0	0	0	0	0	0	0	4588	7506	1592	3046	0	0	0	0	0	4233	0	0	0	1347	0	0	760	0	0	5861	0	0	0	2802	3423	5470	4858	1703	0	2659	0	0	0	0	0	0	0	0	6573	0	1081	33650	3905	0	5591	0	1836	0	1568	0	0	0	0	0	2843	0	0	3812	0	0	3494	0	Lipid	0.16666667	1.625	0.041666668
10	C24 H39 O4 N1	406.2952	406.29553	-0.21781853	406.2951	1868	1755	0	1497	0	0	1813	16373	0	0	0	7735	0	0	0	15580	0	0	0	0	0	0	0	2169	5835	0	1672	0	1410	15559	10609	1756	1425	0	0	2864	2182	950	0	0	0	0	0	0	0	0	0	0	5684	21000	3084	2274	0	0	0	0	0	10371	0	0	16785	0	0	0	0	0	0	1587	0	0	0	6471	1703	8721	3682	4219	0	21001	0	0	1427	0	0	0	0	0	2666	0	0	28192	6027	0	7577	0	0	0	2528	1378	0	0	0	0	6387	0	0	3385	0	0	4320	0	Lipid	0.16666667	1.625	0.041666668
26	C24 H39 O4 N1	406.2952	406.29544	-0.23018754	406.2951	5058	4597	6709	5350	3661	3166	6126	0	2219	0	6704	4112	0	0	0	0	12034	0	4407	0	0	4641	0	0	6319	16573	6839	7319	5961	10884	7871	6598	20259	5840	1465	12329	10711	3844	11690	2400	5607	0	0	0	0	0	0	0	8297	6079	4772	2816	3319	0	0	0	3144	7640	0	3657	9115	0	1805	2397	0	2903	4626	10919	12062	5633	5995	7710	6668	7016	0	7392	0	2883	4581	11142	0	3255	4820	6343	6045	0	24998	0	5014	40278	6672	10884	4739	4710	0	0	6957	6251	2952	6174	4850	38599	4710	5904	0	4621	0	0	10574	1933	Lipid	0.16666667	1.625	0.041666668
18	C24 H39 O4 N1	406.2952	406.29544	-0.18867925	406.2951	0	1666	0	0	0	0	1525	0	0	0	0	1848	0	0	0	2848	0	0	0	0	0	0	0	0	3538	0	1567	1416	0	1757	1960	0	2518	0	0	2867	2636	0	0	0	0	0	0	0	0	0	0	0	0	3187	0	0	0	0	0	0	0	2778	0	0	2962	0	0	0	0	0	0	0	0	0	0	1181	0	2819	1561	0	0	1698	0	0	0	0	0	0	0	0	3143	0	0	24014	0	0	0	0	0	0	0	0	0	0	0	1833	1266	0	0	2223	0	0	0	0	Lipid	0.16666667	1.625	0.041666668
16	C24 H39 O4 N1	406.2952	406.29556	-0.14938922	406.29514	1921	0	3489	3143	0	0	20855	5556	0	0	0	5596	0	0	2076	17095	0	0	0	1848	0	0	1351	2065	12862	0	31564	0	4533	8465	15316	3788	5419	2728	0	3623	7235	1955	0	0	0	1720	0	0	0	0	0	0	11181	8125	0	0	0	0	0	0	1137	14736	0	0	14312	0	0	0	1807	0	1198	4856	0	0	0	4749	2001	3308	5420	2773	0	4577	1792	0	3637	0	0	0	0	2452	4411	0	1444	35928	7995	0	0	0	1756	0	0	0	0	0	0	8579	5246	0	0	0	0	0	6347	0	Lipid	0.16666667	1.625	0.041666668
12	C24 H39 O4 N1	406.2952	406.29562	-0.1468743	406.29514	3068	0	0	0	0	0	9339	19679	0	0	0	3423	0	0	3305	11431	1742	0	0	0	0	0	0	0	8646	0	7443	0	4825	9470	13200	2311	3323	0	0	2203	2756	3634	1545	0	0	0	0	0	0	0	0	0	2343	17920	3202	2298	0	0	0	0	0	5505	0	0	0	0	0	0	0	0	0	5726	0	0	0	3495	2643	10278	6112	3711	0	6778	2739	0	0	0	0	0	0	0	2517	0	0	34728	3248	0	5821	0	0	0	1680	3806	0	0	0	0	3428	0	0	5036	0	0	3050	0	Lipid	0.16666667	1.625	0.041666668
16	C25 H43 O3 N1	406.33157	406.3318	-0.41090083	406.3314	0	0	0	0	0	0	0	0	0	0	0	1122	0	0	0	0	0	0	0	0	0	0	0	0	7190	0	1069	0	1443	1347	21069	0	1873	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1014	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1056	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.12	1.72	0.04
18	C18 H14 O9 S1	407.04312	407.0438	0.15415329	407.04318	0	3604	0	1961	4342	2423	0	0	4075	6423	5667	0	7234	0	0	0	0	2823	4754	0	3733	17535	0	1772	0	1351	0	1818	0	0	0	0	0	0	8401	0	0	0	0	2718	3779	1353	0	0	0	1953	1414	0	0	0	0	2927	0	0	2370	4190	1769	0	0	0	0	1903	4690	1454	1216	5320	0	0	4734	0	4272	0	0	0	0	0	0	0	0	15728	0	3508	1211	4434	3239	1624	1828	1008	2040	0	0	2200	0	17620	27565	0	1629	1643	2577	3381	4617	0	0	0	1698	0	3253	0	0	6982	Organosulfur	0.5	0.7777778	0.0
14	C18 H14 O11	407.06088	407.0614	-0.1319574	407.06082	37576	39206	36913	28070	83980	33922	5694	5824	95966	25329	37758	14433	133678	25913	18321	6903	9588	79556	81647	19816	38783	71589	27584	8992	3568	0	6478	10859	3304	0	3503	6764	11939	5383	52076	3740	14203	15034	8514	13693	41985	26569	0	0	0	15300	46678	603	4512	4832	34845	29743	42721	348	80300	77099	34739	9944	8433	8948	0	28192	160376	91018	31928	100548	30497	13229	0	3520	10649	6074	4277	2341	7936	5974	250	9256	37124	40579	28290	19526	3369	3971	96572	31796	27509	30349	31333	22614	6437	11475	20437	96045	52351	0	32960	30671	67482	116056	104451	15432	11620	7784	25157	10167	66723	0	5618	119121	Phytochemical	0.6111111	0.7777778	0.0
10	C18 H14 O11	407.06088	407.0615	-0.0673335	407.06085	11024	14375	8116	9000	24541	8210	2019	2140	32767	8646	16420	4173	48669	5245	3414	2046	3954	21393	27036	5568	12665	17372	7536	3236	0	0	2195	0	0	946	1918	2404	2862	0	22031	0	1795	4043	2055	4326	10638	8803	0	0	0	3475	11798	0	0	1644	9989	9259	17547	0	23889	28374	12308	2553	2052	3484	0	5867	62270	35295	10800	37484	8089	4526	0	0	3812	1616	1273	0	2742	1380	0	2427	8538	8994	8516	4988	0	1316	38315	11313	6391	10834	10914	5796	0	0	4248	29557	12904	0	12434	10979	32769	51244	38363	3444	4265	0	0	2191	27032	0	1123	56609	Phytochemical	0.6111111	0.7777778	0.0
22	C18 H14 O11	407.06088	407.0614	0.015691608	407.06088	6902	9173	9070	4193	27418	16007	1141	1281	33177	4007	0	1883	48451	14936	5062	1824	1752	35049	21194	2772	4396	14149	8176	2109	2431	0	2120	2537	0	0	1163	0	1851	0	7840	0	2584	1889	0	0	4194	2587	0	0	640	4324	6152	0	0	0	7247	7847	16675	633	32539	24446	8833	2338	2008	2346	0	2394	53707	30367	6966	35297	4513	0	0	4769	3551	0	0	0	1214	0	566	1994	14873	8151	15393	4636	1464	1926	34484	18498	9344	6181	8000	1393	0	4962	2139	12942	16207	0	7462	10847	17726	33873	33877	2142	1730	2506	7293	2749	20948	0	2125	62713	Phytochemical	0.6111111	0.7777778	0.0
12	C18 H14 O11	407.06088	407.0614	-0.123768106	407.06085	23044	25810	22995	25780	59573	20452	2716	4163	61896	19962	27294	9041	78678	16818	7837	5465	6554	46456	45119	14591	24227	64888	15098	6295	0	0	4193	0	1764	2795	3056	2653	7635	2971	42440	1989	7268	8187	7823	8363	29366	16628	525	0	0	9079	28528	435	2800	5277	24312	22668	29480	0	50300	53515	23780	5486	0	8316	0	16521	120700	62630	20112	68466	19993	8068	0	1772	4997	3937	2199	1474	5409	4592	0	6072	20183	0	15993	10385	2212	1916	65452	21789	18237	20173	17146	10363	0	9342	6605	67395	36021	0	23406	23718	66838	85858	65681	8034	7104	3529	0	4436	46936	0	4168	101145	Phytochemical	0.6111111	0.7777778	0.0
28	C18 H14 O11	407.06088	407.0613	-0.084807366	407.06085	6516	6133	7479	6924	17367	10874	1642	0	14903	3175	1129	1418	33977	8144	6437	2195	0	26668	17842	0	2922	6770	5495	2267	0	0	2264	0	0	0	1951	964	3323	1075	5504	0	3056	4921	0	1704	0	2685	0	0	0	0	3590	1531	0	0	5555	5896	10504	0	17961	12894	3739	2267	1311	0	2555	1859	29851	15144	3756	18065	4064	1821	0	2181	1562	0	0	0	0	0	0	2157	8434	3598	7318	1747	0	0	21201	9815	5638	2177	4489	1414	974	0	3037	5812	6077	0	6093	9450	9081	16140	16404	2957	1394	0	3467	2149	11700	0	3290	29723	Phytochemical	0.6111111	0.7777778	0.0
24	C18 H14 O11	407.06088	407.06137	5.24042E-4	407.06088	5409	4500	5941	6917	20836	9661	1794	0	23576	2489	1810	2073	41609	10313	3411	1709	0	31753	21530	2264	2379	8132	4628	2774	0	1413	1371	0	0	0	0	0	1243	0	2279	0	3471	3108	0	1578	2133	1606	0	0	0	2493	4094	0	0	0	6044	6490	11377	0	29716	18312	6545	1312	0	0	1768	1801	44361	22897	3902	25158	3336	0	1497	1792	3589	0	0	0	0	0	0	1862	12581	4157	10739	1309	1158	2247	25300	15286	6361	3848	5922	2779	0	0	1838	8174	7601	0	4376	7648	11747	19369	18178	3021	1304	0	3416	1744	14572	0	1193	44642	Phytochemical	0.6111111	0.7777778	0.0
20	C18 H14 O11	407.06088	407.0614	-0.011368953	407.06088	44406	38691	39228	36072	142773	67392	3618	0	132987	21669	8916	11823	239508	74721	30141	11208	0	152160	103335	12612	13257	70725	33957	11289	8886	0	8775	11904	0	5937	4137	0	16440	0	28344	4311	8832	14331	0	15315	23595	20928	5284	0	2490	20745	33390	7062	7464	5697	35415	53820	83715	2298	139656	125814	53331	6807	7848	6852	10044	15252	243273	142830	43008	150414	33378	7659	16713	11673	14736	0	0	0	0	0	1845	15975	64071	58536	51480	25707	3483	0	192591	68853	54423	36084	35784	8079	8307	9888	26457	93069	52320	4113	46650	44121	90804	162153	147468	11271	12063	0	39804	7911	94395	2409	14844	238763	Phytochemical	0.6111111	0.7777778	0.0
16	C18 H14 O11	407.06088	407.0614	-0.069041505	407.06085	92664	141976	101760	129788	352678	157860	20096	13172	383412	96752	107336	64016	677828	118960	62380	39300	34732	386092	336660	50556	125940	240067	129544	41800	15532	7644	29072	17260	10740	10756	24464	15016	74696	12976	129082	11592	75584	55656	24788	34728	102603	97620	7428	1420	1992	64196	133584	4212	26892	24780	156240	137184	215566	1452	312125	347646	149571	35216	25532	39188	29404	63236	650136	374490	111640	430312	131848	35692	24584	14636	40904	10540	15644	7740	24660	10744	1384	29532	155060	188452	109252	81484	11632	13476	443028	141260	124396	145912	136784	0	0	43188	0	270200	137052	1840	130376	122072	243676	431184	413588	61816	49824	22172	85088	52432	288816	1312	24480	652705	Phytochemical	0.6111111	0.7777778	0.0
26	C18 H14 O11	407.06088	407.06125	-0.11218471	407.06085	5532	7361	5270	5722	20828	10673	1808	0	17371	2507	0	0	42930	9191	0	0	0	35569	23408	0	0	7491	6302	0	0	0	1855	0	0	0	0	0	2500	0	3992	0	3814	3853	0	1945	0	0	0	0	0	0	0	0	1946	0	6825	10358	10798	0	23388	15054	7074	2923	0	0	0	0	41587	18704	3663	19471	5672	0	0	1659	2567	0	0	0	0	0	0	0	6499	0	8365	0	0	0	24454	13005	6383	3718	4921	0	0	0	0	5349	6250	0	5908	5969	8912	18538	13988	0	0	0	0	2597	13970	0	0	35878	Phytochemical	0.6111111	0.7777778	0.0
8	C18 H14 O11	407.06088	407.06155	-0.007832904	407.06088	3982	4153	2290	4051	11261	3390	0	1050	12658	0	4324	1467	15932	2296	732	0	1169	7271	6749	1318	5169	4528	1352	0	0	0	655	0	0	0	0	0	1711	0	5245	0	0	1473	0	0	3056	2708	0	0	0	0	1709	0	0	0	3138	4009	5565	0	9912	12201	4877	0	0	1549	0	1571	29250	10756	3769	11323	3517	1385	0	0	0	1065	0	0	1009	0	0	1136	2763	0	1370	1069	0	0	13602	0	1917	3951	3804	2094	0	0	1410	7081	2877	0	3251	2369	13463	22087	16796	1113	977	0	0	0	10014	0	0	24869	Phytochemical	0.6111111	0.7777778	0.0
18	C18 H14 O11	407.06088	407.0614	-0.029513298	407.06088	24002	21679	22060	23853	60961	31172	2890	2804	60229	19523	7543	6297	137337	29986	14131	4873	5335	72880	71509	8613	19492	40168	23435	6345	3857	3426	3929	3534	0	1349	4035	3555	7800	0	18896	0	9070	11280	3113	9825	12785	13658	1711	0	653	11596	18968	1697	3919	0	23335	20399	43382	218	81973	74631	26027	5517	4798	6696	5100	9950	140917	74300	23500	78018	23559	5309	5484	0	7769	2048	2070	0	2727	0	438	8610	28176	28012	21791	15228	0	3085	83048	32460	18869	18670	20584	8940	6062	10927	12799	48142	26185	0	19171	21947	49212	80742	73470	4719	7577	4585	15838	8742	47293	395	3132	114673	Phytochemical	0.6111111	0.7777778	0.0
18	C17 H14 O10 N2	407.0721	407.07263	-0.12665752	407.07208	6183	0	0	8124	14334	0	0	0	7722	0	0	0	26583	5718	0	0	0	13644	8853	0	0	22704	6309	0	0	0	0	0	0	0	0	0	0	0	9279	0	0	4008	6717	9268	15249	6129	0	0	0	5823	10689	0	0	0	10710	9318	4599	0	0	18933	0	3555	5469	4512	0	16320	33705	15051	2904	18750	10200	4971	3747	0	0	0	0	0	0	0	0	5607	10290	19281	6411	0	0	0	11208	3954	6399	7902	7302	5535	0	0	8112	31563	18681	0	5820	9906	0	13068	8988	6442	0	0	10134	0	4446	0	3831	23376	Phytochemical	0.5882353	0.8235294	0.11764706
14	C17 H14 O10 N2	407.0721	407.0727	-0.034343474	407.0721	2466	2640	1946	2599	8546	2278	0	0	9388	6906	0	1710	16533	1241	0	0	2392	6180	7374	0	10641	8661	2168	2728	0	0	0	0	0	0	0	0	0	0	8749	0	0	2196	2071	3750	11830	4070	0	0	0	0	10513	0	0	0	2273	4242	4232	0	14354	7847	4709	2853	0	0	0	9114	28016	10417	3221	8234	4570	1821	0	0	1708	0	0	0	0	0	0	0	2626	0	2052	3838	0	948	11123	0	2476	3357	4494	4384	0	0	2920	17012	6085	0	2824	0	4602	12801	7207	0	2217	0	0	1975	6587	0	0	23690	Phytochemical	0.5882353	0.8235294	0.11764706
10	C17 H14 O10 N2	407.0721	407.07278	0.007752468	407.0721	2984	3852	1994	2301	5294	976	0	0	8642	2373	0	0	12882	0	0	0	0	4074	5230	2451	4870	6981	0	0	0	0	0	0	0	0	0	0	2004	0	3401	0	0	0	0	1667	5688	1834	0	0	0	0	2896	0	0	0	1321	1479	2560	0	6981	6130	2383	0	0	0	0	1860	21641	8121	1795	5171	1768	2186	0	0	0	0	0	0	0	0	0	0	0	0	0	1238	0	0	6495	1885	1624	1895	1970	1694	0	0	2300	5794	1908	0	2463	1997	5112	9208	7060	0	0	0	0	0	3606	0	0	15182	Phytochemical	0.5882353	0.8235294	0.11764706
12	C17 H14 O10 N2	407.0721	407.0728	0.049220335	407.07214	2520	4660	1783	2622	11537	2875	0	1428	13545	2820	3704	1378	17161	1738	1391	0	0	6453	8719	2567	9449	11840	2041	0	0	0	0	0	0	1167	0	0	2075	0	5101	0	2482	1360	1410	5826	10230	3344	0	0	0	2096	9372	0	0	0	2672	2755	3787	0	9417	9709	3175	0	0	0	0	6925	24595	14718	4501	13964	3334	0	0	0	2033	0	0	0	0	0	0	0	2963	0	0	2432	0	0	9152	1937	1846	4052	1783	4516	0	0	3443	12158	3349	0	4970	4469	7978	11041	9780	0	0	0	0	1843	4024	0	0	22067	Phytochemical	0.5882353	0.8235294	0.11764706
18	C22 H14 O8	407.07614	407.0766	-0.021057133	407.07614	5046	5374	2801	3411	4762	2185	1672	0	6439	17928	21051	0	5325	2118	0	2494	0	4138	5866	12917	10909	15255	2258	1816	0	16943	1353	7017	0	0	2096	0	2530	0	31993	0	0	1958	1698	8630	12900	1981	0	0	0	5350	9749	0	0	0	6071	5595	4501	0	2578	3976	2193	1838	0	2089	2170	5362	8567	4586	2414	4811	4033	0	16904	14934	24342	0	0	0	0	0	0	0	3063	11855	2747	6317	2191	4905	7940	3248	2721	2671	3855	3232	3146	4334	0	16916	25665	0	4989	0	7785	4716	4778	0	0	1820	6012	0	4672	0	2206	6838	Phytochemical	0.36363637	0.6363636	0.0
20	C22 H14 O8	407.07614	407.07657	-0.10778954	407.0761	7715	8716	7138	5394	4901	4200	3432	0	6273	28075	17629	1713	8642	4334	1731	3042	0	12223	9157	12870	16190	23665	5487	2891	1769	25620	2197	9618	0	0	1883	0	2126	1365	28731	0	1864	1653	2563	11868	14207	1806	457	0	0	9508	12562	0	0	0	6379	8370	7310	0	5776	6642	4750	2932	3876	2377	3550	9180	9956	7170	3841	8675	5303	1841	20891	21211	35979	1306	1132	0	0	1364	0	1420	6737	14399	6557	7227	2487	12088	10853	6460	7372	6435	3839	3221	4043	6372	0	28723	23987	0	10296	8122	8920	12962	15496	2920	0	2287	6024	2205	6275	0	3569	10850	Phytochemical	0.36363637	0.6363636	0.0
22	C22 H14 O8	407.07614	407.07654	-0.11395497	407.0761	4999	5664	4919	4978	4418	2444	1766	0	6442	14659	15438	0	3456	0	3741	0	0	9500	5275	5443	13271	11482	3161	0	0	18868	1053	5569	1796	0	1805	0	1447	1298	22835	0	1903	1927	2619	7636	10081	3670	0	0	0	5106	11620	0	0	0	3041	3991	4741	0	4378	5466	3322	2517	2004	4027	1636	5447	11161	3581	3070	5222	3862	0	11641	12718	23426	0	0	0	0	0	0	1796	6787	13224	3842	7048	2915	6962	7205	4266	5136	4382	3330	5861	5488	3895	3441	17947	21271	0	5177	3199	8127	6836	7319	1516	0	1962	3972	2291	8060	0	2914	7118	Phytochemical	0.36363637	0.6363636	0.0
10	C23 H18 O5 S1	407.09476	407.0954	0.038222197	407.0948	0	4741	2634	3447	3083	4103	2039	0	4716	5718	4422	2787	0	2547	838	0	0	2371	2391	3233	1615	0	3536	0	0	2560	2463	0	0	1932	2224	0	0	2034	1980	1440	0	2392	1628	3356	0	1986	1048	0	0	0	3899	0	1965	0	0	2919	4366	0	2904	3227	3025	0	5139	3398	0	7704	2328	4102	3094	2604	0	1903	0	4533	4384	0	1591	1610	47614	2718	0	1972	3332	0	2544	3972	2161	0	3372	3259	1819	3495	2719	0	0	0	3791	2670	2501	0	3674	0	4513	1866	3381	0	2575	0	0	1527	5006	0	0	3993	Organosulfur	0.2173913	0.7826087	0.0
8	C23 H18 O5 S1	407.09476	407.09534	-0.02922548	407.09476	2011	1007	0	2170	2399	1858	0	0	2206	4415	3428	1724	1761	0	0	1467	0	0	1172	0	0	2605	0	0	0	1242	0	0	0	1295	968	0	1143	1302	3573	917	967	1040	0	0	2047	780	0	0	0	0	0	0	1632	0	2615	0	1378	0	0	1170	2343	0	0	2263	0	2888	1877	1978	0	1064	1890	0	0	0	0	817	0	0	48811	0	0	1365	1320	0	905	1353	1311	0	0	0	1801	1476	0	0	0	0	0	0	0	0	1851	0	2363	2332	0	0	0	0	0	0	3259	0	815	1166	Organosulfur	0.2173913	0.7826087	0.0
26	C19 H18 O10	407.09726	407.09766	-0.13428934	407.09723	7646	7260	9716	9417	15629	11488	0	0	16067	18119	0	3457	33732	9983	0	0	0	25162	20654	11617	13977	15274	8560	0	0	0	0	2851	0	0	3699	0	3727	0	15704	0	3842	3194	2844	4884	6905	0	0	0	0	9355	13832	0	0	0	9634	7312	10518	0	24519	16625	7341	0	0	0	4204	4844	31631	13922	0	21093	6963	0	7915	10357	12646	0	0	0	0	0	0	2848	8618	6865	8203	8562	0	5364	21842	7970	4420	4385	4736	1368	3171	4387	0	10569	17527	0	10554	8518	9460	20487	12818	0	0	0	8918	4318	12669	0	2323	30438	Phytochemical	0.5263158	0.94736844	0.0
6	C19 H18 O10	407.09726	407.09793	-0.0857497	407.09723	15602	13450	13003	13725	15724	8386	3739	6050	23189	25042	21730	7276	23239	6650	4857	7307	10089	15894	18791	17031	29506	12730	8924	9256	1930	6896	4131	6462	3185	4613	3122	5271	6546	4327	31724	5188	6428	4596	9426	10273	17584	6607	0	0	0	8010	18486	256	6240	5092	12889	10820	9541	0	19175	18441	10188	6691	5114	8355	8735	8074	28693	19279	8513	16527	10115	11154	17296	13190	26511	4319	5045	3137	4683	6312	0	5410	11117	3843	7072	6376	3506	3033	23557	8900	9252	8778	9914	11948	3213	5184	7018	12181	11413	0	11461	9885	16907	24235	25530	6944	6106	7468	9599	7016	18148	0	4831	29763	Phytochemical	0.5263158	0.94736844	0.0
10	C19 H18 O10	407.09726	407.09784	-0.072293475	407.09723	116527	113864	98047	104635	112756	70370	40144	57918	143614	251865	185845	60174	160622	53661	52552	74039	59468	133293	145817	169836	216101	163957	78627	63026	21173	67246	47739	84910	44386	41643	49533	52298	73482	45579	632044	43054	65651	59657	71579	125571	356370	55283	3754	0	378	120651	190030	0	48980	48995	113135	112755	81713	338	147404	114758	59673	71063	59050	72872	79707	100838	382714	136432	66810	128148	67164	77604	154276	110537	197944	54981	44165	33123	41805	45408	0	50432	96447	116083	77448	92226	31918	44920	152221	69169	87044	62602	64627	75449	47978	65610	76803	374436	177088	907	103654	110009	138681	142383	123693	66427	47805	64615	125658	58173	110302	0	38032	196202	Phytochemical	0.5263158	0.94736844	0.0
28	C19 H18 O10	407.09726	407.09766	-0.091406606	407.09723	8552	6727	9272	7031	12640	9710	2290	0	13036	12982	4143	1733	24463	6467	5064	3762	0	17983	14218	13316	11803	12330	8061	4026	5127	5946	3506	3526	0	0	2404	2698	3118	1848	17084	0	3512	2842	1695	6260	6849	4010	1476	0	0	9748	14469	1399	1097	2731	7292	7599	8581	0	17008	14969	5156	3387	2726	2523	3559	6602	19629	13710	5304	16038	5993	2020	6268	10224	11531	1958	1793	0	0	2897	0	2399	9268	6853	5233	6844	1376	4777	13517	7427	5941	4398	4666	977	2664	4876	3579	9749	14262	0	7928	9208	7747	12858	13778	3448	3086	3772	9851	3622	8910	0	3165	22918	Phytochemical	0.5263158	0.94736844	0.0
24	C19 H18 O10	407.09726	407.09772	0.002134369	407.09726	16040	12706	14101	11597	24399	19260	1603	3764	31843	28911	7327	4213	54930	12561	7625	3363	2170	38754	26847	13102	25376	27397	9826	4820	5864	8297	1639	7140	2613	1554	3505	2370	4891	1592	30610	1688	5553	6807	3232	13361	11130	3742	1859	0	0	19342	23996	2321	3469	2993	15663	13063	19460	0	42772	27007	11551	5892	6348	3045	5236	13872	58866	34785	7770	39769	8548	4832	7352	16040	17235	2015	2691	1680	2210	1287	0	5541	11200	10633	12252	17317	3801	6013	34612	16625	10511	7148	9116	2679	7926	6598	8045	27044	37089	0	10778	17807	17683	29582	25900	5080	2764	8676	16192	2659	21534	0	4503	59450	Phytochemical	0.5263158	0.94736844	0.0
18	C19 H18 O10	407.09726	407.09775	-0.091195	407.09723	166431	144027	148128	136913	221401	158178	36748	66662	236747	304401	129407	57977	442987	116628	87407	80523	32724	317288	275889	226631	217734	231635	114006	85026	66240	81542	49411	86611	57519	41114	61937	60595	90270	55996	349287	51413	116279	76206	45961	162300	126345	79365	6796	868	1874	188953	199721	2214	72067	50765	158744	145192	158036	1455	286028	194574	92790	83876	80705	41939	69519	143950	370974	231525	81126	244617	121632	42189	116131	154957	133255	60581	45951	40598	36307	54773	1486	60234	140086	117476	109948	178624	43034	74322	216997	127279	114133	85526	101801	46415	82368	117359	105312	165891	217067	1860	159829	129958	182359	186975	184525	87772	64116	62022	136430	66581	153212	1154	56751	353770	Phytochemical	0.5263158	0.94736844	0.0
12	C19 H18 O10	407.09726	407.09784	-0.07170602	407.09723	185335	205244	207508	193936	198187	123454	93578	104081	264925	437064	315905	88768	276568	82620	93534	114445	101992	254416	269784	326584	360726	395219	131283	119114	48465	104004	85710	170145	74944	74802	95290	93617	125623	86758	564650	78599	106138	104735	96220	237715	331389	98976	5078	473	617	222894	367495	787	97930	89707	202274	199010	138549	264	272225	175227	104099	121633	126661	139024	160549	203024	796982	232665	90052	231319	118708	122460	256508	205295	311988	87612	83063	63172	77980	82056	0	87912	147508	251177	128420	201865	62780	98715	222132	109227	135581	99561	117852	135950	94152	136010	121918	324990	302487	633	215658	202901	263146	218776	187375	126726	88165	98992	266074	112029	184272	440	67050	720504	Phytochemical	0.5263158	0.94736844	0.0
22	C19 H18 O10	407.09726	407.09772	-0.082819104	407.09723	34911	28812	28001	27437	48179	37374	7704	9402	63175	54955	16150	9160	85046	26465	19504	8240	3788	86213	45383	35705	42277	50668	18698	10011	13542	17309	5931	12234	10244	5762	11415	5645	15532	8760	56817	6436	13159	14470	5652	27091	18286	9310	2301	0	1249	37150	48824	0	8321	10067	30516	31656	37220	835	82614	59869	21865	10061	9676	6040	9653	28990	86153	57522	21172	54846	22444	3552	24605	32931	29055	9762	7826	5111	4625	6208	1503	8398	30726	23896	29268	36661	6322	19785	67860	32042	19572	12469	21298	5557	13339	20443	14968	49459	54943	0	29233	30139	37693	60999	49282	12579	9536	10615	32531	12343	46514	0	8364	97277	Phytochemical	0.5263158	0.94736844	0.0
12	C18 H18 O9 N2	407.10852	407.10907	-0.10434304	407.10846	70124	84308	76713	86744	67126	45120	46080	51880	86306	136552	103848	47882	111049	23656	46644	60709	68865	92133	105582	106066	136368	189816	62515	65556	29227	25186	29894	36741	42389	38158	39125	40221	63656	42614	201149	31983	49248	42614	65807	136792	205898	47138	1230	0	0	112653	192164	0	40813	45207	77931	69307	59739	0	110968	67064	40184	57764	55917	68882	49720	122851	152505	88116	33507	96791	49509	72901	73169	70985	112402	40159	35820	29645	40500	32966	0	37857	65708	89060	46586	84616	29862	44176	77485	35444	66448	50462	50831	126041	47169	75254	104881	149038	100951	0	80503	84828	65605	73904	59928	57015	42626	36446	107661	63975	58474	0	37549	151428	Phytochemical	0.5	1.0	0.11111111
8	C18 H18 O9 N2	407.10852	407.1091	-0.14015971	407.10846	47847	49486	38522	47065	39108	23929	15783	31875	56112	90885	69990	34177	73347	17444	21740	33483	40627	55834	59766	69560	104532	99753	35455	36118	9090	11409	17992	21777	23565	21763	27194	29817	37762	28636	116925	21931	33512	24347	39585	73414	130871	22958	0	0	0	71439	131420	0	26721	27183	45695	53524	32935	0	63245	47600	25735	26324	28161	41541	39502	71231	108416	66708	30162	55625	32813	48119	50024	36504	71477	27996	25104	18020	24891	23865	0	21058	34804	42651	26681	45031	15826	25775	54474	23323	31712	35018	32510	52827	18892	36781	54774	83811	69448	0	55869	54622	49550	62967	53988	41050	23508	41774	54643	33851	38345	0	17425	90303	Phytochemical	0.5	1.0	0.11111111
6	C18 H18 O9 N2	407.10852	407.10913	-0.1298485	407.10846	23779	21338	21371	21831	19538	9032	7700	15566	30371	36791	32620	11918	38630	5885	8937	14245	17684	28209	29816	24223	50142	40202	14866	16453	3916	3773	5989	9023	9436	10373	12908	11760	18995	13546	49866	12017	15304	10478	21003	23191	49386	15117	0	0	0	19385	52851	0	15234	11608	21149	22301	18127	0	33070	23818	12406	13047	9486	19053	15828	26470	52091	32613	12308	27016	15391	23036	16189	13914	27620	10666	11542	11048	8184	9786	0	8576	14110	11461	10508	14432	6457	8316	29645	9976	13520	20314	16261	32290	5587	12360	23767	32102	28281	0	20063	23865	17248	28688	25749	17030	10154	16715	28077	21147	21190	0	8973	48591	Phytochemical	0.5	1.0	0.11111111
18	C18 H18 O9 N2	407.10852	407.10898	-0.115190305	407.10846	23114	21783	24279	21769	27683	19443	14848	9547	24116	27384	12464	11260	40546	14974	17486	13921	15786	38615	29249	22413	31591	50302	18516	17864	16428	2557	12279	6383	12613	7593	12062	11708	27217	9553	45895	8271	25948	12312	17042	31006	24265	13192	680	0	0	24366	33801	348	16697	8076	23564	21595	22990	0	36369	21795	16826	15544	11127	7872	14528	24429	42592	22302	12504	30973	19150	17670	12035	9641	16940	9722	7838	5543	7392	0	0	12858	32600	22270	17607	21367	5802	13200	28242	17715	18631	21504	19472	23267	9264	23563	41244	38528	36248	0	22595	18617	16016	29872	23028	19291	13195	14805	16236	23021	18660	0	15245	43831	Phytochemical	0.5	1.0	0.11111111
16	C18 H18 O9 N2	407.10852	407.109	-0.1070116	407.10846	46810	44564	43402	51828	50984	47368	31485	26546	58695	77785	35485	22430	92018	28064	40263	43501	31398	59670	62407	48280	66257	94710	44865	43486	22598	9238	25789	16990	17959	19819	26708	19836	46165	18957	87530	12927	42213	33637	31216	65774	67631	26926	1560	0	0	52617	78388	419	26184	20184	52513	52738	36802	287	66711	43622	29510	37363	26797	19493	42302	56650	82827	56542	21880	74550	43288	30403	24480	33266	38954	19890	13363	9971	21567	16446	0	22925	48473	47966	36094	43878	15517	30883	62498	28488	46073	36706	35606	52938	29015	44906	74864	69542	76767	0	48074	47610	35232	40199	44289	49385	22048	26749	45327	51943	41255	0	40437	84151	Phytochemical	0.5	1.0	0.11111111
18	C23 H18 O7	407.11252	407.11298	-0.13872644	407.1125	10553	14138	9391	13156	12302	9238	4281	5150	14329	51941	39140	2991	10766	8306	6242	7719	4245	8356	11333	30055	32657	18989	7694	3301	5683	72396	3910	29715	0	2003	3088	2606	3327	0	55098	3656	4986	3147	4976	13929	24075	6704	541	0	0	18641	17508	0	5069	3630	12074	14927	5289	0	10763	6322	5894	5789	2853	7183	4300	14282	14603	9989	7279	10726	11317	4937	60074	61604	93356	3174	3355	0	2927	0	0	3453	9362	15105	7622	14385	3179	18687	13656	8062	8293	5765	7284	9792	10432	11188	10259	23707	22221	0	11822	8883	11868	12350	6687	4453	1617	9216	11929	4494	11160	0	6325	11118	Phytochemical	0.3043478	0.7826087	0.0
22	C23 H18 O7	407.11252	407.11298	-0.1029141	407.1125	16716	14137	18177	16013	14558	8177	4987	4896	16963	52724	55632	3851	13356	6235	5120	6778	5010	15488	12344	36820	40913	30357	7013	6179	5998	103992	5895	41488	1631	3311	4169	0	6234	4408	59094	2211	6262	6660	7547	25957	36533	7266	0	0	0	26972	32079	0	6194	4060	15369	21318	12447	0	10506	11813	10637	4932	5910	7348	6690	24564	17641	12259	11284	15856	14996	7859	95067	85668	123506	2032	1993	2274	3852	2989	0	3562	12498	26025	11298	22403	4388	26095	20264	11974	11449	10238	13701	11849	9621	13405	9849	41966	38201	0	12672	17221	22720	16259	14952	5670	3417	6266	24390	6616	17284	0	7491	19469	Phytochemical	0.3043478	0.7826087	0.0
24	C23 H18 O7	407.11252	407.11298	-0.12458298	407.1125	9713	7409	4888	7190	6270	3910	0	2479	10659	22823	25859	2201	7976	3540	2386	3410	2522	9499	9480	18328	18364	13483	3730	2992	3395	45352	2011	21071	1632	1630	1566	0	1116	0	34703	1885	2044	1403	3486	15511	23269	2784	0	0	0	12807	19637	0	1750	2048	7283	8676	4838	0	8639	7482	4552	2722	2692	2806	1527	12854	8588	8019	2951	11608	7118	3371	48416	42127	68809	1674	998	0	0	1373	0	2712	7988	17290	7020	11062	3281	19930	9091	4286	5470	5532	5637	4574	0	4473	3765	20731	23010	0	9525	9218	11283	9873	6263	3596	0	5960	10912	2115	9451	0	3074	9565	Phytochemical	0.3043478	0.7826087	0.0
26	C23 H18 O7	407.11252	407.11288	-0.14807022	407.11246	3766	4444	3285	2309	3258	0	0	0	4287	9047	6350	0	0	2853	0	0	0	0	5523	6855	7665	6889	0	0	0	17531	0	5284	0	0	0	0	0	0	11028	0	0	0	0	4167	8712	0	0	0	0	0	11721	0	0	0	3594	2949	0	0	4283	0	0	0	0	0	0	0	5751	2679	0	3695	0	2201	19399	15015	26381	0	0	0	0	0	0	0	3874	8151	2358	4386	0	3588	5382	0	3308	0	0	2278	0	1400	0	7378	6064	0	2398	0	3062	4087	0	0	0	0	0	0	0	0	2462	2558	Phytochemical	0.3043478	0.7826087	0.0
16	C23 H18 O7	407.11252	407.113	-0.120144196	407.1125	6825	6885	4458	6156	5676	2763	2231	5013	5986	24329	16815	2754	5016	2669	4441	3074	3018	4712	9124	11331	17223	8880	5532	2935	3722	30938	1349	12130	1899	0	1124	4293	4392	3986	23003	2147	1769	3233	3060	12993	7871	3261	0	0	0	5155	9190	0	0	2577	5320	5211	3549	0	4624	4170	2541	4449	3691	4333	0	5173	7800	7046	2072	4145	3434	3153	29614	35954	41760	2759	2288	1487	2696	1553	0	2532	4757	8999	4240	9653	2370	8976	7550	3693	6179	3132	3377	0	6152	4483	0	8058	10808	0	5492	4792	6721	5339	4726	3832	1631	3738	0	0	3622	0	1675	6673	Phytochemical	0.3043478	0.7826087	0.0
14	C13 H26 O12 S1	407.12177	407.12296	0.5839289	407.122	6768	6020	6454	0	5850	0	0	0	11848	22216	11686	0	3876	0	0	0	0	13186	5910	20501	13920	0	0	0	3940	20156	5580	0	4076	4410	3976	0	5986	0	20112	0	3192	0	2744	9718	18094	2998	0	0	0	11686	10818	0	0	3198	5852	0	1027	0	1867	3336	2288	0	0	0	0	8200	6668	3916	0	7000	4428	3438	0	28168	40138	0	5154	2974	3048	3706	0	0	5424	0	2088	10612	4810	6960	5314	0	12390	0	3706	0	0	0	0	8190	12452	0	0	0	4554	3710	0	0	0	0	96064	0	3842	0	2612	9995	Organosulfur	0.9230769	2.0	0.0
6	C24 H22 O4 S1	407.13116	407.13156	-0.36473554	407.131	2826	5713	2715	4145	2652	2290	1868	2917	4369	5316	3362	4237	5662	1083	1971	4335	3499	3276	5713	4923	12430	5567	1978	3216	2130	1892	4628	0	4282	2607	2636	2643	4490	3539	15360	4131	6508	3119	4805	0	16778	2271	0	0	0	4784	7684	0	3896	4726	5259	6701	1547	0	4103	3250	1421	6104	4490	2999	3030	4112	6897	2824	0	2539	3389	4628	3015	4268	5492	3471	3264	1847	35742	2342	0	2035	4532	3895	3121	3808	3277	3951	3737	3842	3901	5510	3475	8670	0	3093	8952	3554	4228	0	4282	3377	2620	3800	2157	2982	1773	5632	0	5037	2477	0	3224	5281	Organosulfur	0.16666667	0.9166667	0.0
10	C24 H22 O4 S1	407.13116	407.13162	-0.22416826	407.13107	3160	0	3237	3203	2889	0	5281	2467	2285	0	0	4508	1938	2448	2648	2706	0	3793	2337	2926	1391	4074	3171	3342	2820	0	4469	3843	3118	2363	0	7370	3629	3347	3473	3183	5680	4078	3933	0	2424	2844	1129	0	0	3759	0	0	4521	3594	6215	4631	4300	0	2823	3486	3891	3049	6940	4667	0	7717	3180	3415	4108	3507	5386	3061	0	0	0	4251	2245	1951	68150	4538	0	3392	5370	0	3036	4269	5435	3085	2605	4207	3305	2249	3714	3972	0	3407	2221	3070	2879	0	3629	3748	5034	1831	2676	3427	2833	0	0	3499	5588	0	3894	5691	Organosulfur	0.16666667	0.9166667	0.0
8	C20 H22 O9	407.13367	407.13425	-0.122137114	407.1336	163870	188386	118526	151668	77458	67572	88080	151302	57191	279532	170282	109516	50390	31062	104228	135966	65033	106212	136546	137140	281714	158276	118768	175552	32747	156550	99312	57871	115688	129900	116062	136554	130186	107702	296740	131102	61027	102696	142078	186294	222508	35694	2236	697	1209	90147	223880	1011	141870	140554	153126	164132	73166	1095	141248	45842	65786	67640	64194	146660	80442	135346	135972	113658	27772	97962	77666	83151	132075	126102	386404	137326	66505	124698	108153	150928	965	93448	78280	50962	146496	63315	105696	59564	117598	32928	118320	66498	44928	75406	49661	59873	137818	67568	73542	1818	148202	150412	55733	104854	51333	125046	96538	86410	60104	116930	56157	1019	89908	119290	Phytochemical	0.45	1.1	0.0
24	C20 H22 O9	407.13367	407.13403	-0.14160067	407.1336	48547	37726	34845	40089	52134	41747	11819	29060	53707	91865	35348	18059	92649	27825	28348	27442	14678	65669	60994	66620	80482	56226	39016	34612	20935	43839	13292	18745	23816	19503	21408	26542	32106	24303	90577	20829	25587	23869	19407	55402	36182	13483	4003	0	0	54607	48203	0	22830	22891	39726	42119	37110	0	70453	49937	24981	34385	23387	14684	31410	35502	83937	57963	18534	61495	26530	16854	48893	86137	61413	29280	24973	18713	13814	16631	0	22528	37560	25376	39518	35775	16244	29188	63741	26842	35388	14746	24221	19147	25060	21819	31260	34592	56636	2337	46796	36262	32914	52428	59936	29678	18767	26829	33927	24758	37225	0	23084	86482	Phytochemical	0.45	1.1	0.0
20	C20 H22 O9	407.13367	407.1341	-0.08502362	407.13364	320503	308049	303663	247854	302507	267209	133772	251854	375526	673522	249740	143044	537194	198307	241160	210671	115740	462878	400324	561977	523880	328959	221465	243211	196390	366177	123488	223955	214687	173342	211342	192804	236850	200424	694755	175785	269234	169218	131785	404007	260154	155019	14882	4618	2729	378193	323659	4740	219114	194656	322157	293249	226505	3687	447287	265203	151864	242447	220692	119092	213230	273947	493967	334021	138855	365621	200716	129667	337502	649936	446424	227821	203047	191158	126698	190129	3164	180155	250489	162628	215959	233351	157372	276907	323577	199756	218404	150786	193141	152227	218796	261275	282827	224186	274410	5171	298887	298558	259095	284557	270262	204081	154800	228261	247652	203559	245512	4288	164310	542413	Phytochemical	0.45	1.1	0.0
6	C20 H22 O9	407.13367	407.13425	-0.12568013	407.1336	40548	47638	39354	48002	19658	9971	10500	21785	37544	64730	24292	15348	30122	9688	13935	19955	20523	32324	35134	29683	38430	51252	16385	27789	8808	19258	10201	21226	17437	20778	17900	20034	20751	16507	39431	19965	17446	15750	50794	18918	29223	10122	1092	789	971	19834	34001	925	19939	19660	36192	22220	21776	1132	39792	28478	10974	23462	19703	44562	20315	16505	36508	18519	8928	21178	25690	32686	25927	29278	42840	17155	16678	19358	20316	18312	931	13094	38896	12078	17156	33804	25622	13022	38086	12116	14899	10987	12819	41844	8302	12715	39022	33414	38354	1035	39196	41576	24470	34982	35526	18534	15077	22389	18749	13880	18766	1005	11541	37042	Phytochemical	0.45	1.1	0.0
10	C20 H22 O9	407.13367	407.13422	-0.0864864	407.13364	466554	464712	407914	379848	273414	217222	255582	430890	352696	911140	519388	294262	322162	90862	290502	452560	304698	326742	395372	806586	845522	471672	307954	445642	201774	674202	151007	183612	338522	337876	339948	371492	391914	302922	972882	359312	350822	297722	411504	603148	620970	185194	6123	1573	1516	487362	630558	1232	384628	389558	438096	428590	232108	1845	395406	238054	180734	399202	178631	403426	229669	379086	362574	280266	174354	288376	210564	399718	378108	822672	1001160	360120	360408	343826	280942	367332	1007	269650	453812	140001	383062	405104	298838	336384	361334	205974	339710	192230	226922	358698	141827	335434	376946	346774	231022	3361	443542	447860	322008	274436	266784	356744	259496	226116	226217	317378	258022	1172	265188	378854	Phytochemical	0.45	1.1	0.0
22	C20 H22 O9	407.13367	407.13406	-0.15151422	407.1336	105883	116626	92716	113748	132713	106026	40357	76331	141854	234680	93877	50173	175174	69228	74925	74623	44451	168787	125844	172902	177046	124238	91528	84087	70795	127339	41198	65228	82381	57179	76884	70770	77213	68911	224347	64752	86956	63853	49410	136343	92589	53690	5827	0	3147	132424	137569	3315	74451	63443	108628	100846	90448	3002	165566	128558	57713	81731	61719	38323	72178	103272	195184	138953	55434	141095	68338	44428	108687	240349	170880	71715	57914	61396	37484	66809	2333	70071	121785	56056	92368	100396	45866	82335	145440	83669	95727	55945	63462	50694	80269	72120	93901	83004	114209	3802	101999	102397	109759	129981	126458	83942	57370	69550	97545	73865	98664	0	58522	229995	Phytochemical	0.45	1.1	0.0
26	C20 H22 O9	407.13367	407.1341	-0.15366976	407.1336	18484	23284	21849	18112	21897	16146	4629	11573	29720	42735	11310	9094	53518	14710	13437	11447	9423	42923	36810	36809	39265	29821	23904	18047	8284	16791	4206	10574	9054	6613	13170	12555	13105	9973	39924	11466	14879	10734	8146	22544	18664	10126	0	0	0	21942	15325	0	15201	9966	19897	20248	18779	0	35457	31086	9984	12520	8166	6004	12064	16485	46164	26818	9075	30193	14669	8463	20652	42213	38017	13136	11012	8458	7267	10711	0	10109	18470	11150	16881	14763	7431	11542	27934	16231	18724	10769	15316	7291	14065	15477	16790	12294	35318	0	19990	17409	15689	28773	26692	11208	8528	13800	11877	12016	17017	0	10749	50971	Phytochemical	0.45	1.1	0.0
28	C20 H22 O9	407.13367	407.13403	-0.2084649	407.13358	14018	12331	11829	12989	18560	13267	6784	11391	16259	31293	10568	5625	31224	10092	12205	11271	7633	21507	21445	33874	28175	17835	11392	13083	7550	17603	6662	11953	9269	6762	9927	7841	10008	8638	32566	7799	11523	8022	6671	15254	14301	8994	2250	1358	0	15148	17748	1895	8700	9052	15610	14782	12336	0	22627	12563	5929	10596	7653	6071	11329	11867	26536	15308	6538	20420	8906	7167	20435	37611	34842	10733	8100	8555	4996	8580	0	8247	12186	7947	9838	9914	7513	11074	20422	8183	11009	5878	9772	5711	11005	13384	15204	9189	15224	2058	14140	14325	9914	17403	17063	9115	7867	9930	13245	8870	8855	0	7143	22458	Phytochemical	0.45	1.1	0.0
6	C19 H22 O8 N2	407.1449	407.14554	-0.13238549	407.14484	101671	94652	86935	89868	56932	43437	44883	89074	69736	175416	103513	57098	93744	26635	59200	93867	73684	74625	93913	137304	183644	151930	65482	106115	33750	32969	41771	60658	69223	67077	71959	79663	94974	68332	212425	67238	88849	56226	99501	117697	197356	44862	0	0	0	116808	203137	0	98356	73094	97506	95621	52669	0	82103	51782	37682	86082	65580	91729	94998	100544	100404	79612	37604	78994	55144	111612	68241	75348	125576	70298	65806	62650	40161	70181	0	48772	62026	69016	52895	74981	49821	57515	57943	47013	66082	54420	56548	124034	61666	94865	124419	107034	145538	0	89500	90371	39572	60172	62719	93985	52882	111917	99391	86655	48316	0	46491	106683	Phytochemical	0.42105263	1.1578947	0.10526316
22	C19 H22 O8 N2	407.1449	407.14542	0.05193049	407.14493	19272	18444	13647	11016	10908	11448	5703	17301	14199	24627	3259	11325	12186	0	14070	12519	8055	17616	11694	10230	17193	13569	14460	22941	15669	9893	9069	7992	16704	11844	14091	0	21876	11120	18174	9891	14580	15528	9654	18666	13818	11661	0	0	906	11784	18000	0	13905	9447	14715	14355	11322	1038	11976	10314	3360	10821	8955	6120	15261	0	7557	14064	6246	13563	9762	7347	9714	5448	2259	13053	7740	4773	6468	9699	0	6912	13776	11136	10911	0	6132	5151	9813	0	12243	10254	8715	18567	12519	15411	32511	11766	29700	0	12222	10077	6111	6390	9465	9009	10239	15141	9366	23697	5931	0	12423	15111	Phytochemical	0.42105263	1.1578947	0.10526316
14	C19 H22 O8 N2	407.1449	407.1454	-0.17933393	407.1448	244999	231847	209348	244009	140041	142276	177138	248902	168082	324561	177510	137598	208456	83998	197993	226713	170422	222731	212392	317654	320866	385010	192934	284700	217014	114372	146217	164459	209916	187070	220926	217475	287624	188817	452340	187075	263705	179999	179652	348205	308733	131476	0	0	0	298140	290549	370	231076	196641	215819	212172	146007	365	205584	115811	103201	264109	280396	163803	296584	241597	192384	160477	90725	164212	143920	166304	139354	250988	189739	202870	182096	179143	143724	184959	0	171542	182776	208431	166896	201483	159902	178889	133999	122881	198508	157235	159696	243874	226936	285752	390214	195620	275440	1115	215470	220981	99218	115353	112721	236751	156769	277195	247013	238857	105728	0	174619	223347	Phytochemical	0.42105263	1.1578947	0.10526316
20	C19 H22 O8 N2	407.1449	407.14536	-0.1120442	407.14484	51066	53599	51095	45331	46267	36431	27461	37198	53162	83041	78352	23218	51287	34945	27673	42472	23494	38074	59882	79643	92093	59747	32382	48743	35082	199916	25707	77783	32083	27025	24209	28639	38944	31553	106042	29631	54338	30787	26069	66099	87372	32619	1705	0	343	52868	57420	552	38093	30704	46861	49150	37252	0	34802	43556	30698	47641	28579	24202	39846	54558	49702	41949	25863	43177	43522	31563	156825	179509	242417	26852	27132	19859	28186	26469	296	25073	48503	46123	34525	35279	32191	66798	41062	28223	43706	37267	34265	51262	42366	50455	67043	56168	53698	0	49965	50637	38001	64508	65653	36760	25893	39078	31218	47958	35773	0	34661	55781	Phytochemical	0.42105263	1.1578947	0.10526316
18	C19 H22 O8 N2	407.1449	407.14532	-0.16709471	407.14484	69865	52375	52961	51688	47836	54509	41759	56982	47825	80552	37025	33616	70845	27495	48853	60432	38769	78586	70866	59481	60333	100499	51184	72945	68647	23436	43349	35400	52596	34369	56766	54367	89493	52187	89098	33114	130632	46800	42635	77154	53412	38040	1333	477	0	56424	48235	0	68159	44009	68807	67057	50736	482	71241	41231	30078	67282	45669	28966	60320	56471	66614	43954	26464	61368	47795	44629	30313	51254	41832	59586	35510	38974	35633	36854	0	39423	56267	45082	45785	37379	35936	38166	37385	40921	57429	42253	46758	60717	57293	68178	104181	43091	65961	650	56964	62735	35840	36994	38112	71137	33326	55083	29829	63502	34985	415	50031	74309	Phytochemical	0.42105263	1.1578947	0.10526316
12	C19 H22 O8 N2	407.1449	407.14542	-0.16341142	407.14484	282101	270610	276843	264595	162810	153473	216639	330715	205660	437321	209212	181458	211948	77497	227834	247269	222684	252671	305658	478478	454525	533089	257674	300282	213753	137205	144022	199575	264765	211451	271755	249378	366162	242887	656748	234250	306878	215460	252664	510596	450158	152252	3103	0	0	453034	428486	0	274504	235678	278671	262783	182941	447	264904	137211	115283	303403	336324	219203	306634	349820	245160	200542	95926	213097	171522	260617	211560	331008	294356	284218	237886	244094	165416	218259	0	215055	216936	210911	201108	285583	215001	250166	146188	126036	218338	151358	185052	335959	255264	355488	426488	294863	309611	1150	319326	286914	148590	120012	120661	284216	180735	290198	346305	292947	127886	0	202620	294219	Phytochemical	0.42105263	1.1578947	0.10526316
10	C19 H22 O8 N2	407.1449	407.14542	-0.14424837	407.14484	276517	272179	250843	238262	138130	117910	168023	271085	186621	508337	240681	183664	212262	80784	180450	257124	191465	229381	256744	476366	494027	476076	199169	286547	147004	135336	144863	169253	223014	220031	235985	258286	316815	213682	622037	229877	299297	179888	236711	491224	460990	129519	3295	0	0	417257	450370	577	276481	237298	280492	291253	144301	485	232166	124757	90823	278521	269707	217290	305567	294339	207009	185761	96943	189242	150203	233753	203658	295856	297253	261167	237582	233052	156469	229287	0	178696	198640	212442	180204	290261	176395	205788	143489	112512	192614	150605	147586	271656	223378	300549	380555	279019	382477	1230	279178	268028	116031	120971	118267	260805	155298	319684	315468	253413	112692	0	155718	256057	Phytochemical	0.42105263	1.1578947	0.10526316
4	C19 H22 O8 N2	407.1449	407.14557	-0.15668495	407.14484	24255	27447	22922	22335	16442	11540	11535	18756	22052	33432	24263	13417	31744	9608	13234	20671	26296	22833	23193	30227	43111	40704	19225	24158	8254	11597	12664	12836	12312	14259	17038	16608	20420	13256	48676	15987	21461	16114	36173	29354	49044	12626	0	0	0	29145	55666	0	20148	16951	24256	21379	14016	0	27858	21501	10717	18484	13958	25721	23082	24315	35478	24352	10892	22544	14479	36220	23889	19162	30219	16500	12792	14708	10081	12080	0	10221	18887	19572	14215	21711	12986	13634	23826	13346	16255	13700	14779	32240	15940	19674	37298	29115	30447	0	20625	23945	18700	25509	23879	22174	12513	25895	25642	20037	18175	0	12798	32617	Phytochemical	0.42105263	1.1578947	0.10526316
26	C24 H22 O6	407.14893	407.1493	-0.12651756	407.14886	6544	7946	5143	5860	7301	3484	1614	0	7779	14051	19590	0	7090	3164	0	0	0	6454	10536	10712	12178	7290	0	0	0	48724	1804	14885	0	0	0	0	4971	0	18107	0	3539	2878	2790	12992	17417	0	0	0	0	10843	12893	0	0	0	5827	5092	4798	0	5860	0	4198	2992	2633	0	0	7915	7175	3642	2915	10349	4010	6425	51337	29876	54272	0	0	0	0	0	0	0	7981	9920	4280	8818	3449	12396	8934	9325	5292	5429	4177	3184	0	2563	4832	10876	11530	0	7547	6990	5838	8048	7098	0	3032	0	7264	2253	8595	0	4442	5762	Phytochemical	0.25	0.9166667	0.0
24	C24 H22 O6	407.14893	407.14932	-0.12771882	407.14886	21820	23459	22701	23821	24256	13564	4310	6909	22967	46127	64227	5862	26711	15186	7611	9737	10504	20147	28852	48430	47239	29008	15217	12196	7203	141307	5576	59096	9274	8058	5884	10266	9726	4957	57706	6427	8086	6547	9207	39913	56311	12295	0	0	0	28527	37700	0	7689	9219	23683	21259	20142	0	13226	14915	13000	9332	9177	13174	10844	30802	22748	14584	11365	27808	20814	10976	143522	93459	153235	5330	5974	5323	4375	6089	0	7458	21217	26648	17282	25280	8517	37088	23544	15096	17730	10535	13109	14129	9296	11542	14193	34475	24971	0	25205	22217	27161	20638	19807	7957	6756	16006	21134	8997	19924	0	8438	18571	Phytochemical	0.25	0.9166667	0.0
18	C24 H22 O6	407.14893	407.14938	-0.12785155	407.14886	20384	22102	17502	19302	17444	9986	8913	13106	12051	37368	33420	9501	12283	14096	15327	16374	11111	13338	26549	36656	42194	15344	14062	15743	12953	91449	11450	25514	8106	8233	11616	16707	8300	9394	35177	11868	13086	10657	11685	28443	30751	11139	356	0	0	20614	21435	0	15153	11384	19807	20820	13379	0	14264	15033	10877	17102	8796	13833	13414	19138	18209	10674	6938	14412	13880	16031	73574	81094	122654	11145	7759	8856	11949	11010	0	8357	18701	11360	17553	19270	12908	22682	15391	10739	23205	13373	12524	21056	20186	15674	21073	21160	14003	0	17729	22127	13884	17569	15887	17693	7583	15140	12141	12422	11424	0	14610	11220	Phytochemical	0.25	0.9166667	0.0
28	C24 H22 O6	407.14893	407.14923	-0.23153633	407.14883	2715	1486	1672	2032	3028	1245	0	0	2619	2725	4212	914	3066	1840	0	0	0	2543	2912	5056	4054	3427	0	2220	0	12740	1399	5334	0	0	1019	947	822	1301	5288	0	1114	0	1935	3179	5744	0	0	0	0	2452	5419	0	0	0	1240	1876	2124	0	1745	2556	1822	1917	1074	1204	2078	2541	3654	1120	1285	4443	2597	1198	13792	10596	20715	0	941	0	0	1096	0	0	2807	2868	2492	2124	979	3826	3537	0	1716	991	1439	1696	1375	0	1912	4185	2502	0	2659	0	2881	3039	3383	0	1269	0	0	1843	1644	0	1283	1662	Phytochemical	0.25	0.9166667	0.0
22	C24 H22 O6	407.14893	407.14932	-0.14332378	407.14886	28977	38780	26124	35802	34696	20461	12091	19448	32761	71311	106493	10808	28778	25191	15440	21519	16939	33482	34880	76940	77093	37379	19157	26623	17159	225257	9981	82147	14216	12297	17259	12537	14370	11979	102104	14289	17567	19113	17098	58884	80315	16033	0	0	0	43245	60754	0	13281	13820	42879	39207	32114	492	27175	30050	21987	17930	20329	18893	18798	50654	32740	22661	18841	35097	28819	20446	199834	201703	261934	13513	12165	10613	8327	14138	0	13680	32390	39657	22797	34163	13985	57805	40373	24907	31901	22940	24411	23935	27408	22773	25208	46775	40936	0	31981	32994	33168	34718	28530	19942	11549	23216	32249	18212	35166	0	17164	28504	Phytochemical	0.25	0.9166667	0.0
16	C24 H22 O6	407.14893	407.14935	-0.2257224	407.14883	7055	12146	7517	8743	4523	2441	5214	6595	7730	16067	12401	3980	5206	3980	6725	8114	5590	7736	7303	15777	13103	8784	5307	8897	2267	33949	5518	9675	6429	4974	9839	8873	8803	4785	12346	7017	4136	8570	9257	5362	15078	4574	0	0	0	10109	10918	0	6998	7417	7563	11369	4390	0	5439	5520	5195	7486	7409	5407	9800	10056	6617	0	2380	6582	4977	7365	24239	29064	44377	4994	7264	6318	6472	6751	0	5357	10464	4400	9065	7107	6943	11727	7998	6828	8523	5676	5075	0	5878	6338	0	5456	8897	0	10384	5910	3385	6290	6386	7947	7443	5891	5306	0	5798	0	8603	6582	Phytochemical	0.25	0.9166667	0.0
6	C18 H22 O7 N4	407.15613	407.1567	-0.22521749	407.15604	137620	114974	119512	122588	46114	78000	73716	123483	71826	127858	77824	94038	67990	42934	80898	116664	91816	83780	105910	233688	228632	234822	89297	103712	61706	64027	68239	28480	87936	95828	78456	123142	159618	112922	239695	112560	142598	83202	110420	139220	188808	51026	0	0	0	103970	125364	0	126856	80598	136046	103140	52604	0	73520	36558	50968	145242	56892	79844	117908	76834	108004	48350	35210	80834	68070	121274	48598	73651	89340	105790	89540	108090	61844	91465	0	60436	65296	57592	84338	53810	52470	31316	58614	46920	106368	69068	66604	219672	82288	107978	188874	124341	150034	0	106208	85780	34842	48392	45742	113754	77248	97682	15012	98313	39352	0	72550	83494	Peptide	0.3888889	1.2222222	0.22222222
14	C18 H27 O5 N2 S1 Na1	407.1611	407.1612	-0.37792155	407.16095	6645	12501	6194	5700	5987	7614	7413	10611	5793	9407	6621	5487	4630	2677	6039	9619	0	2074	0	6442	7396	0	9463	9324	7876	16776	5039	7982	6662	5611	6065	0	9003	10516	17554	9937	11767	5764	8538	13234	8286	7340	0	0	0	10888	5953	0	9658	5316	5593	6153	5904	0	4382	4156	5955	7670	0	0	0	3174	3250	4904	1925	4548	8035	9871	0	21115	22607	9694	10225	7536	10764	7996	0	6635	9794	0	12231	8546	5804	7380	1468	0	9363	0	3037	0	6292	10334	12058	0	5459	0	11296	2846	5347	4722	5295	7315	8845	8228	0	12467	3753	0	9102	9048	Organosulfur	0.2777778	1.5	0.11111111
16	C18 H27 O5 N2 S1 Na1	407.1611	407.16153	-0.2779773	407.161	7302	8569	6603	7603	4034	4616	3874	6252	6763	14430	9332	4653	5196	3238	4895	8978	4237	4466	5532	15490	13137	5562	4642	7499	3977	22608	5980	6637	6770	5037	6401	5303	7061	4374	23128	6845	4782	6590	5650	10925	10725	4081	0	0	0	5282	6108	0	4746	4731	8858	11149	3906	0	5754	4929	1412	8859	7127	6159	0	7677	5413	4794	2176	7208	4693	0	13266	27364	23832	5580	8023	4914	6292	6402	0	4865	9449	6501	5846	4828	5000	8575	5024	4433	6173	3752	4006	0	0	2591	0	7033	5996	0	9435	7787	5403	4313	5977	6645	4283	6090	4408	0	4691	0	6637	7587	Organosulfur	0.2777778	1.5	0.11111111
6	C16 H26 O10 N2	407.16602	407.1666	-0.17355604	407.16595	11913	14745	18247	11259	4003	11740	7308	16659	7390	9547	5565	10431	6427	3817	9644	15820	13851	10896	11639	23032	12034	24970	11235	15501	9037	2516	8997	0	12645	14181	11595	14588	27149	18701	21276	14566	15810	9139	15942	20272	11310	6692	0	0	0	9762	12028	0	16980	11058	11591	10658	7100	0	7367	3065	4581	14795	6125	8759	16041	6347	6800	3928	4572	10227	8997	16058	2775	7081	5792	17766	13851	13438	4681	12651	0	8073	6030	5530	8659	5613	5841	5143	4813	5783	11524	9811	9834	32118	8024	12428	23978	14680	10446	0	12801	10840	2467	5616	4044	15720	11007	11879	0	12937	4906	0	10356	9144	A-Sugar	0.625	1.625	0.125
0	C16 H26 O10 N2	407.16602	407.16678	-0.14590187	407.16595	4575	4704	4054	4311	2574	84400	0	7723	2657	0	0	2449	5033	0	3167	0	1580	4699	3546	0	0	2388	7652	3219	3017	0	0	610	17614	1801	5989	15374	9650	39339	0	15720	5361	1599	2937	0	0	4076	0	0	0	0	0	0	6905	2323	3679	3215	3165	0	2299	1220	0	5687	0	0	3457	0	4200	2470	2439	5168	5043	2270	0	0	0	19149	18506	5394	0	3521	0	3855	0	0	0	0	0	0	0	0	1465	9663	5263	0	3384	2170	2793	0	0	0	4067	3942	1172	384	0	3277	2049	0	0	3753	990	0	0	9502	A-Sugar	0.625	1.625	0.125
6	C25 H26 O3 S1	407.16754	407.16885	0.34172374	407.1677	0	5696	0	0	0	0	0	0	0	18024	28877	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7261	1730	0	0	0	0	8262	10813	0	0	0	2939	0	0	0	0	0	0	0	106132	0	0	47818	0	0	0	0	0	0	0	0	0	0	0	0	8573	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10652	2760	0	4732	4956	0	0	0	0	0	9152	1485303	0	0	0	0	0	Organosulfur	0.12	1.04	0.0
6	C21 H26 O8	407.17004	407.17065	-0.20133975	407.16995	18328	18802	16078	10733	8406	9926	19728	32348	12910	20140	16178	18220	10798	5029	17888	27682	23222	14646	17952	11123	14019	25734	21796	32760	14070	19742	17030	6194	22490	22846	22590	21858	24814	14256	27684	25734	10260	17866	26678	14500	25514	5465	1967	1272	1657	11369	14916	1709	31242	25322	18144	20124	9484	1412	8940	6679	5487	19176	0	24160	27604	0	15150	7443	5483	10918	5428	33694	12553	10223	14071	14168	21094	29048	6632	28998	1793	16864	21094	3428	11747	21682	13528	7022	15624	5597	11503	4360	7890	27582	5465	6925	23602	12436	24526	1917	19008	8940	5343	7617	15270	25782	19394	21934	0	9178	11256	1441	8894	14778	Phytochemical	0.3809524	1.2380953	0.0
22	C21 H26 O8	407.17004	407.17047	-0.116421394	407.16998	471456	469029	412618	448939	397438	390240	197959	435702	499203	926752	361060	232243	545839	274964	386804	354713	205777	652119	523305	904059	796938	488055	383417	496425	367663	601461	178738	317248	405699	352561	375427	380226	435895	373733	990652	357859	563571	308330	226896	525329	327619	227737	19289	6474	5004	461334	300765	5870	378900	372561	438616	447108	337773	5226	610851	380964	230785	399378	372830	168878	380547	360067	580159	472049	176963	466808	299783	204088	485690	1177253	725947	444689	349193	368682	189251	363440	4716	317289	399061	175010	370073	268750	256690	302827	412959	262185	331356	228779	295956	240804	421401	464361	523057	243311	397177	10461	435771	423076	303124	361198	327465	388497	265322	413115	257114	362722	289673	5557	264651	713652	Phytochemical	0.3809524	1.2380953	0.0
14	C21 H26 O8	407.17004	407.17056	-0.102218345	407.17	1984946	1907344	1774056	1896174	1149532	934010	1417364	2039318	1409500	2653728	1820918	1337452	1342816	360953	1457416	1969676	1582432	1439034	1564008	3117626	3180766	1898018	1558152	2019488	1329158	3162516	1279304	848873	1645020	1769020	1666744	949617	1840110	1427816	2929072	1732012	1661784	1374826	1706460	2045106	2114890	1002540	22393	4086	3140	1745882	860811	3641	1847440	1865474	1842934	1686238	1087892	5434	1537552	1094328	905546	1997164	913995	799007	1071843	1309086	1536262	1320336	754928	1297246	1018226	1584060	1363743	3820250	3871666	1709230	1634182	1792506	1456540	1759138	2127	1348448	1950688	530934	1770220	1272564	1535500	1527656	1415078	436142	1718286	905052	1185330	958226	1398264	1461466	2118964	1045618	1419142	9336	1864014	1789510	1091868	1228384	602341	1664768	1290676	2093284	570886	1545096	1106666	4073	1477012	1433578	Phytochemical	0.3809524	1.2380953	0.0
24	C21 H26 O8	407.17004	407.1704	-0.15247272	407.16998	124077	132986	123646	134994	121069	111354	49674	116211	133773	241137	87678	74182	235957	84395	102378	122073	63795	193565	193364	209861	217426	132273	121122	137928	80631	143473	49696	78534	103752	91884	101581	106672	119166	103563	235255	103700	145947	82208	73056	145545	97123	68532	8442	4116	7210	119455	99624	5416	118067	94706	127070	124437	100119	5245	176543	118390	72897	132171	91722	47735	124264	100315	190450	142574	57157	167339	84821	68209	152177	263677	221223	115362	105948	99802	66437	97506	0	88279	130578	54398	114681	76083	66126	86804	135866	75573	119160	73939	93605	86082	110636	118068	158988	61928	115249	4229	127353	132050	83611	125711	120614	108731	72110	108446	81553	105896	83951	4593	77137	220416	Phytochemical	0.3809524	1.2380953	0.0
26	C21 H26 O8	407.17004	407.17047	-0.18264472	407.16998	42788	50256	45123	42422	47229	34058	16426	52718	55939	83814	32472	27364	92353	32126	42220	49721	27226	82762	71820	79435	90931	49698	48398	60389	29054	57330	19591	34187	40006	36915	44316	38364	45450	36480	94624	39495	55179	31467	27807	56813	41410	28338	0	0	0	39482	44520	0	49659	40983	50082	48183	38616	0	62446	47201	30415	52123	32049	17807	53711	30129	73099	49465	20110	55486	32358	29018	54187	100050	81339	44184	42271	43155	27699	32512	0	34892	50764	18832	43515	28131	27319	32273	51288	37642	47305	32663	32005	31343	44865	36645	59793	22969	43049	0	47414	48630	33355	49643	46355	46512	32033	43899	25050	34629	29834	0	27623	76407	Phytochemical	0.3809524	1.2380953	0.0
12	C21 H26 O8	407.17004	407.1706	-0.1579437	407.16998	798072	861204	806442	799012	364990	303834	343230	857448	491446	945822	655616	520390	399632	109696	580990	963768	705402	453976	610886	1229796	1037074	912206	641654	988820	497798	1075746	601450	297996	681316	808044	687918	812624	742598	566156	973172	731502	682714	578008	797994	766486	952730	379750	9236	2791	2442	755810	813348	2890	841578	896052	819110	797860	355592	3950	581200	199214	314440	891174	388064	377044	507193	536034	590202	451080	261810	454358	356070	394814	576052	1317914	1395856	624850	677540	817912	784230	776410	1960	552624	752082	232544	701662	546634	646134	523242	513332	292492	701562	294172	369096	468124	293043	696234	804398	468570	672886	5478	891794	844826	224933	210386	215841	764854	506254	893058	289290	658230	436384	3158	585572	525034	Phytochemical	0.3809524	1.2380953	0.0
20	C21 H26 O8	407.17004	407.1705	-0.08090914	407.17	1320748	1298952	1267472	1093144	1035740	1027057	616183	1303231	1240911	2781033	1058608	655896	1585985	685980	1131804	1072897	537508	1509434	1635693	2736631	2439927	1330181	1087966	1344002	958993	1852761	557189	989261	1260037	1064806	1089205	1080150	1251652	1066497	2852361	1039193	1463224	841943	577627	1703456	926690	732604	27762	10115	5837	1277080	846112	10375	1161789	1044058	1303441	1307098	879753	9411	1579307	954801	635737	1219178	1172947	513041	1107723	1062308	1555121	1189964	475209	1124032	830220	621554	1553286	3215428	2200041	1188345	1142714	1197098	677224	1034087	5217	930682	994909	579151	911223	706081	800002	985093	964768	668968	865011	628609	822589	652915	1207864	1297119	1562712	704314	1022846	14236	1271701	1322049	881645	808566	819153	1108189	774790	1282434	746602	1028481	747163	10871	759795	1764322	Phytochemical	0.3809524	1.2380953	0.0
2	C20 H26 O7 N2	407.18127	407.18198	-0.1785966	407.1812	11740	12576	11380	8976	6094	0	10074	15576	6918	11473	9895	12327	9690	3587	12171	6508	15500	9282	10602	11280	20649	14935	11687	11022	6462	4976	3639	9816	15202	10099	12638	13244	16479	12101	20401	10480	13079	8995	18654	14173	16330	8764	0	0	0	9111	13618	0	13497	9933	11516	11769	7953	0	12993	4832	4342	13566	7439	9289	6504	9064	8837	9449	4539	10515	8599	21326	6765	9420	11951	11889	12032	10225	4989	11986	0	8280	12182	9722	11506	6562	7247	6940	5701	5875	12890	6897	8328	22747	11302	16591	19554	12764	5187	0	13821	12612	5351	5920	7421	10055	9233	11621	8111	13202	4849	0	10027	8935	Phytochemical	0.35	1.3	0.1
20	C20 H26 O7 N2	407.18127	407.18164	-0.23493691	407.18118	14933	17699	14356	21120	13091	13234	12096	23961	12900	17955	10169	10200	14354	9776	19063	22930	11393	18268	14179	26876	17619	24528	16926	29283	23164	6753	9244	13138	22467	14660	17171	18873	29365	20186	23017	16328	32749	13377	14479	20976	13058	13876	0	0	0	15164	7262	0	23557	13399	17601	15585	12151	0	10499	7605	6834	26269	17082	8850	24709	13722	11996	14705	4649	13978	15323	13863	5034	13637	9734	19647	18027	13746	8338	14752	0	13578	15594	14715	10474	9019	17508	12243	6992	6516	17399	17598	13833	21627	39662	36282	44680	12646	17813	0	15702	20816	5858	5615	5542	25503	11282	23575	9071	28433	9109	0	14687	15419	Phytochemical	0.35	1.3	0.1
4	C20 H26 O7 N2	407.18127	407.18195	-0.18740194	407.1812	25055	29528	26686	24243	13852	15255	13813	30681	20537	35061	17353	16289	22648	10205	23990	28683	24844	22152	22684	41482	43893	42690	25764	32606	19750	15794	17643	15003	23616	20436	23365	25180	31181	23348	50146	27035	27552	19193	30530	38712	34330	16133	0	0	0	35659	39933	0	27049	25664	26286	23983	14734	0	28775	12694	10129	28331	18016	21674	28785	23682	20013	21451	6908	20430	15915	27588	19945	25319	24166	25066	21318	24826	13665	19089	0	19436	22820	22171	21250	19799	20009	18251	16521	14429	22314	14177	15466	31937	42654	39857	49688	27901	41011	0	23178	31572	15643	15738	13862	27537	18181	36443	21544	22945	12430	0	17831	23436	Phytochemical	0.35	1.3	0.1
22	C20 H26 O7 N2	407.18127	407.1818	0.09474388	407.1813	7084	7166	10458	5842	7780	7762	4082	7560	5240	9866	6908	5410	3784	0	10280	10078	6978	7334	0	5022	5756	8912	6328	16754	8034	7324	7586	7902	11542	5718	8268	0	8000	13412	7592	8208	8526	3426	7008	10486	7624	8058	0	0	0	10720	5220	0	10514	9072	8556	7230	7832	0	3898	0	4868	8790	4882	4708	9986	8196	9700	3662	0	8372	4090	7550	3785	5806	5287	9682	10142	8850	5856	7060	0	5022	5364	7274	4966	4796	4478	5568	0	5974	10172	8748	6394	10594	8938	15804	27322	3472	6294	0	3352	10084	5562	2840	4748	13794	5938	11035	4240	13948	7546	0	12866	16658	Phytochemical	0.35	1.3	0.1
6	C20 H26 O7 N2	407.18127	407.1819	-0.19045694	407.1812	75335	79911	67315	75209	34454	36444	44092	88978	44483	130165	54634	41646	58640	18652	57430	85978	55633	52710	73835	134953	138779	120877	54835	92422	55688	36126	42053	49012	76720	62509	69497	79552	96701	66753	165881	75098	85680	48412	76205	98278	100197	39343	0	0	0	100888	91462	0	83345	67634	78688	75333	39267	0	62365	28594	22164	89845	46387	45537	77316	70125	53344	48652	21466	52524	46584	75837	41297	87137	71213	68591	62870	67649	42635	61964	0	44537	53256	49882	43366	43945	49627	54455	34562	32968	60262	39135	41755	99637	110941	118519	126838	76637	105176	0	76130	70609	21522	28694	31171	84554	43036	110357	53165	73017	31174	0	50357	62012	Phytochemical	0.35	1.3	0.1
16	C25 H26 O5	407.1853	407.1857	-0.34492308	407.18515	11536	12545	8137	10594	3501	4820	7950	8054	5721	6599	8277	10076	3036	2698	6785	15098	13850	2796	5017	15360	8808	6210	6989	12469	5024	17353	8887	3780	6302	10258	9094	9248	10711	6692	5192	7663	5979	9997	16853	8643	11810	5235	0	0	0	5860	6962	0	8038	14387	8323	8480	4724	0	4034	5411	4375	11747	5007	7640	13524	4398	6873	5781	3736	3264	6474	16569	15429	17135	24358	8994	8726	10316	10060	7183	0	6988	15485	4990	11194	7950	9146	6065	7260	4877	15367	4369	4484	0	4436	7172	0	3101	5287	0	6391	7255	4234	8055	7763	9541	5868	9579	4682	0	5919	0	14681	5507	Phytochemical	0.2	1.04	0.0
26	C25 H26 O5	407.1853	407.18573	-0.15164034	407.18524	20649	25008	22543	18429	21798	13855	7898	13465	18622	25136	44454	9793	15491	10311	10564	16043	12345	19295	22851	33140	41871	18724	11044	23451	10655	117331	10088	44438	15066	17527	13598	10425	17597	11090	34581	15772	17492	9200	10503	29622	41838	12985	0	0	0	24546	26353	0	13866	10671	22733	20906	16927	0	16036	17969	12166	18577	12086	12855	13714	25084	17970	12052	10974	24138	26559	14033	112092	68074	107991	11930	14767	10298	7007	10879	0	10134	19337	21672	15683	17470	15420	32618	23681	12612	24057	15003	13003	17259	13181	12631	24534	22448	17733	0	18524	25873	18130	26621	19782	16988	10101	20212	17070	13157	22722	0	14674	15373	Phytochemical	0.2	1.04	0.0
22	C25 H26 O5	407.1853	407.1857	-0.15899764	407.18524	70232	67257	58936	59211	63421	33964	35667	47345	52659	87459	106463	31687	46674	39728	43937	58477	52676	47883	55510	93022	107819	65565	47772	64366	42565	309782	31344	97004	50878	43320	37347	40431	48505	42058	90350	50817	49574	34427	52389	80832	114145	44961	0	0	0	52963	63517	0	53975	44748	72301	69009	60210	0	40871	41034	36842	58427	35941	43587	53652	54980	47529	44195	33086	51898	51050	47394	226808	223563	329985	40987	40246	36630	34784	37998	0	37699	64710	50307	51234	46315	35244	69466	61981	46959	64562	46399	44206	65816	57495	50187	71620	54391	66616	0	58314	56164	51432	50623	49196	56817	36446	53810	40816	42641	48713	0	46796	44870	Phytochemical	0.2	1.04	0.0
24	C25 H26 O5	407.1853	407.18567	-0.18507122	407.1852	56317	64342	48508	50781	47936	31273	19992	46808	45553	74944	118965	22251	47881	34381	32178	45114	42763	43833	58113	90120	107127	50774	31010	57500	36798	290718	23420	107214	32953	33703	35327	34897	45356	33523	90570	39504	42991	21770	34825	81638	103168	34537	1811	0	0	50715	59734	0	36145	41301	52540	49830	42976	0	35262	40078	29894	41676	30273	29386	49385	60550	37962	36283	27767	65519	55693	40497	272235	181498	280872	37139	31244	30535	24341	39184	0	25946	51289	46864	41239	42328	37917	77361	55397	31221	48330	37127	40718	51191	34879	35365	61730	59353	53941	0	51894	53192	42873	42673	43098	47091	25769	47899	42292	45268	46396	0	39663	41512	Phytochemical	0.2	1.04	0.0
28	C25 H26 O5	407.1853	407.1857	-0.20471822	407.1852	3716	4372	4505	3780	5129	1532	1004	3551	3041	4047	5451	2486	4167	2745	2192	3029	2377	3089	5487	5506	4094	3874	2504	2992	2882	17168	1972	5816	2668	2719	2499	2701	3837	2841	6740	2396	3422	2768	2230	3568	6675	2764	0	0	0	4693	3777	0	2271	2897	4336	2463	5329	0	3326	3232	2662	3249	1335	2762	4082	2361	3422	3150	1596	6434	5495	2856	17345	12356	22981	2904	1938	2364	0	2165	0	1111	4517	3231	1849	3561	2070	5383	5141	2940	5390	3024	2660	2253	3165	2539	5566	2348	0	0	4303	3706	3648	6145	6187	2649	2519	2694	2418	3248	2644	0	1441	3056	Phytochemical	0.2	1.04	0.0
20	C25 H26 O5	407.1853	407.1857	-0.19147366	407.1852	48591	47859	44006	41796	39203	17805	27379	41566	32737	56299	45952	26877	32143	28024	33899	49610	38747	31431	40490	61159	64042	37071	26525	49699	36941	153184	28474	49268	33051	34594	32100	35213	34773	27688	38330	31633	32801	33181	46886	58918	74118	26220	973	0	0	32127	53357	0	34094	35997	44176	48950	30259	0	27231	30029	24948	42622	27635	31685	39254	32352	31271	28050	25435	39351	33348	40666	123033	123291	179510	30151	21827	30971	31712	34628	0	24864	44823	34563	40871	23654	29753	47344	41526	29733	53979	26320	28016	59174	43207	35657	57640	31160	37659	0	32988	43082	34056	28158	29103	39510	27842	38624	28113	33212	32837	0	39001	18937	Phytochemical	0.2	1.04	0.0
6	C19 H26 O6 N4	407.1925	407.19305	-0.2787761	407.19238	7049	10741	8084	8438	2809	3777	7053	10170	2958	6838	4968	4154	2740	1159	7163	13204	6336	4888	4479	5937	5271	12705	6629	13166	6807	0	6072	11829	6915	7328	8377	10584	9410	8445	7051	8615	10403	7248	10521	6486	5233	2400	0	0	0	6925	5629	0	9360	7136	8425	8195	4034	0	4550	1677	2150	12398	4063	5042	10075	4289	3310	3450	2105	2912	3817	11542	0	2734	0	6945	6224	6871	3549	5801	0	4873	7738	103001	6731	4697	4945	3919	0	2107	6975	4582	3436	16380	58291	20898	19305	11472	8377	0	10513	8203	1540	1063	1631	9564	5184	9230	0	10333	1904	0	7880	3459	Peptide	0.31578946	1.3684211	0.21052632
8	C19 H26 O6 N4	407.1925	407.193	-0.31466645	407.19238	6962	9148	6379	6987	1416	3601	5272	7448	2794	4810	4336	5825	2189	1453	7887	10789	8601	4115	3948	5192	4808	8650	6205	13284	7737	0	4935	4011	7857	10617	9338	7953	9010	10800	3383	6013	9286	5836	9441	6747	7196	3110	0	0	0	8833	5526	0	13125	8955	6173	6213	2434	0	3688	1011	1872	10214	3569	4694	10831	3125	1660	2223	2098	3076	3850	9864	0	2833	0	7564	7194	7704	4568	7167	0	4534	4986	19810	5690	4262	6671	3424	2000	0	5744	3077	3893	17608	22823	14623	19543	4821	5375	0	9324	7671	1967	1402	0	5968	5227	10248	0	10639	0	0	9058	3663	Peptide	0.31578946	1.3684211	0.21052632
4	C19 H26 O6 N4	407.1925	407.19318	-0.18896945	407.19244	3524	4542	4740	4354	2254	2359	3110	4938	1909	2388	2515	2424	2310	879	3767	4533	6687	2789	3739	2778	2497	6912	4965	6303	4731	608	3038	6202	3691	3521	3895	3853	5278	3399	3198	4029	4406	3425	9712	3147	3842	2085	0	0	0	3647	3567	0	4219	4566	4759	3553	1505	0	2682	1147	1627	5821	2823	2511	6471	2578	1741	2368	1186	3409	1955	6361	0	0	0	4158	2738	3580	2331	3449	0	3280	5477	87002	3565	1636	3380	2339	1768	1896	5164	2295	2352	8415	31132	13905	13843	7731	4267	0	4535	6404	1531	1178	1044	5417	3396	4805	0	6203	1756	0	3766	2151	Peptide	0.31578946	1.3684211	0.21052632
2	C19 H26 O6 N4	407.1925	407.19324	-0.15719181	407.19244	6540	6395	4488	5588	1488	0	4340	6768	2016	2940	2449	5566	1477	821	6510	1402	7774	3300	3774	2955	4349	6040	5738	5039	3498	0	0	7616	6862	3786	6846	6485	8720	6453	4127	6220	6760	5762	8661	3783	4210	0	0	0	0	2870	3135	0	5289	3800	5706	4541	2761	0	2981	725	1643	5659	2732	2861	2931	2363	2706	2684	0	3058	2714	10064	826	2089	2649	5682	6547	5885	1478	6359	0	4705	4696	116966	5397	2676	3293	1923	1699	1995	7121	4431	4094	14838	17491	16384	13482	9224	723	0	4211	4775	1786	1223	1266	4538	5076	3560	2020	6526	1343	0	5597	2502	Peptide	0.31578946	1.3684211	0.21052632
2	C16 H30 O6 N4 S1	407.1959	407.1963	-0.37931776	407.19574	0	1248	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68940	0	0	610	0	749	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	485	0	0	0	0	0	0	0	0	0	0	0	113323	0	0	0	0	0	0	0	0	0	0	21441	8853	0	5525	0	0	0	2039	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.875	0.25
0	C16 H30 O6 N4 S1	407.1959	407.1964	-0.07444831	407.19586	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22868	0	0	0	0	588	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46725	0	0	0	0	0	0	0	0	0	0	5106	1735	0	1467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.875	0.25
22	C19 H31 O4 N2 S1 Na1	407.1975	407.1979	-0.2728969	407.1974	6245	5985	8129	7867	6812	7116	3734	11153	3804	19028	8517	4682	9515	0	7375	4238	5754	9182	8440	18760	21426	11302	5653	12126	5778	18330	4249	8956	6456	5171	6946	5971	7874	8381	20259	7421	8125	5696	3117	9927	7110	4849	0	0	0	6920	5100	0	7415	5639	7182	7501	4957	0	8538	6282	3082	6722	5616	3145	9961	6224	4288	8443	2399	10146	5114	4722	13518	29553	18999	7885	0	6749	3886	7514	0	7763	5570	2633	5218	4210	3277	3911	6272	3853	6131	5123	3752	3772	3529	9049	13258	4639	6310	0	6253	9452	4139	4124	4825	8460	3826	6130	4523	6422	3439	0	4438	7876	Organosulfur	0.21052632	1.6315789	0.10526316
20	C19 H31 O4 N2 S1 Na1	407.1975	407.1979	-0.21568711	407.19742	14481	15013	11250	12148	9841	7934	9454	11012	9856	26223	11931	7202	12168	4564	11392	9868	7092	10578	12513	33711	26922	10940	7242	15165	10336	22272	7134	11609	13715	11886	10807	13157	8621	13203	32411	8796	14815	8517	6983	12551	10140	9131	0	0	0	13986	7466	0	15002	12237	13959	15002	7719	0	8446	8478	4151	17276	10862	6288	12343	13529	13201	11096	3469	10563	7327	9874	19711	53770	30563	11675	11554	11533	7215	10908	0	9256	14083	3703	10099	6091	7893	0	10847	6211	7900	7142	8447	9439	9756	12938	17850	8326	9568	0	10240	16429	8760	9601	9917	11380	8130	16099	8004	8580	9454	0	9656	16474	Organosulfur	0.21052632	1.6315789	0.10526316
26	C22 H30 O7	407.20642	407.20688	-0.16355343	407.20636	87254	78153	88593	83360	75836	61336	42890	89767	89766	115084	59206	46446	152699	50734	91567	91246	54905	128442	150401	128354	134690	85127	63215	98634	72534	108074	35622	61456	98293	81718	79552	88925	103456	75090	150200	93498	125431	61145	59567	84640	60612	63656	0	0	0	71720	47246	0	91492	74825	88921	79249	69981	0	116931	111419	46497	97424	65980	33637	95522	48972	102924	83216	36334	103493	76057	62173	96338	185786	159869	75095	74332	91269	52068	76154	0	60886	70403	39971	64409	37557	62107	57366	83634	52751	77929	54634	68027	62033	92473	92288	130363	42211	78027	0	82087	90360	52542	84822	85954	95747	52883	92711	45024	69809	64500	0	56306	108230	Lipid	0.3181818	1.3636364	0.0
22	C22 H30 O7	407.20642	407.20685	-0.11027225	407.2064	1222388	1221910	1080744	1157426	994081	927381	680929	1216782	1130006	2379806	1043787	592359	1153311	628555	1039624	1023391	603427	1534471	1440985	2605274	2286831	1252238	962392	1226498	1023566	1587888	568477	1066026	1307748	1048064	1050279	1149330	1371824	997597	2529183	1200660	1587633	824047	667657	1354748	714607	731728	30697	5462	3926	1036175	617249	6704	1148538	969095	1162584	1163379	848404	5768	1551880	976641	637182	1166483	1029909	449377	1134157	906251	1281216	1118490	479809	1111238	862214	665170	1188646	2973031	1730796	1059487	951276	1076041	617728	1056684	4302	846390	985140	516442	818406	595918	855903	754096	934224	704159	930452	651353	918815	656005	1355178	1434659	1419361	656686	1118836	8230	1085305	1173015	720492	861721	792138	1366998	702437	1302664	647452	1020391	791082	5844	719259	1512633	Lipid	0.3181818	1.3636364	0.0
24	C22 H30 O7	407.20642	407.20682	-0.14069745	407.20636	426385	407712	399644	429114	324692	338865	200544	391122	414885	785557	303708	207515	596521	229577	353973	342036	188433	609845	668905	845507	688433	447879	322592	405336	309274	489641	157272	322592	394281	331013	351616	393498	480726	349189	888656	403452	638191	275070	221264	500694	247726	228471	14555	3011	0	376426	208445	4945	403913	300302	404983	395425	313560	5830	616909	336304	199665	415183	382909	138153	420405	306887	523002	392769	147290	445915	294282	208825	413420	1009772	631636	380189	351458	369412	203939	319316	0	300791	340352	166210	273991	205914	258301	263097	328942	214835	313033	207902	310693	236322	463243	521650	529564	204846	411973	4149	432740	406023	219535	297243	287115	460582	212483	442880	221653	372897	239453	3940	255653	586668	Lipid	0.3181818	1.3636364	0.0
20	C22 H30 O7	407.20642	407.20685	-0.12738748	407.2064	1471355	1512814	1437457	1315202	1242417	981417	963814	1488116	1314107	2343401	1190099	874662	1506277	810395	1311667	1496593	1022504	1531375	1939958	2765844	2566726	1396637	1134927	1589193	1098430	2202621	941041	1254339	1460143	1299156	1177888	1364606	1650578	1255678	2451388	1348814	1743425	1021481	1039002	1524861	1133905	981171	28659	7934	3666	1201601	847246	7452	1473039	1166516	1493874	1459238	1066665	7126	1613314	1220353	792266	1492856	1196596	755574	1433037	986963	1509113	1286219	641019	1266640	998650	1105700	1728617	3143840	2478055	1213537	1316512	1413537	1178077	1273977	2727	1035911	1294010	772278	1023384	664422	1147368	1091693	1249030	870924	1276156	892328	1129131	1146134	1556729	1581382	1833874	830555	1155708	11936	1443609	1519218	931188	1129448	1172742	1614376	926101	1572903	749369	1258811	1002678	7579	987942	1666580	Lipid	0.3181818	1.3636364	0.0
4	C21 H30 O6 N2	407.21765	407.21832	-0.19321322	407.2176	8578	9343	9343	9189	2532	3915	4877	12145	3309	12504	5205	5330	3216	1714	8122	11237	9884	3485	4997	16991	20103	11236	7274	12969	8009	22114	5683	5698	9066	7490	7517	9416	11024	7864	16212	11671	10113	6743	9893	15879	20878	3660	0	0	0	6804	11082	0	10173	9157	7661	8547	3349	0	6062	1976	1799	10220	3021	1698	10287	11160	2672	3062	1486	4151	3022	11315	17843	15625	25659	7544	7720	9232	7701	6230	0	6984	8795	7963	6205	3264	3817	13268	1556	3027	7890	3576	3932	13743	15188	11008	17548	6439	12354	0	8914	9167	2444	1949	2287	7849	4786	11375	4918	7282	2965	0	7509	2379	Lipid	0.2857143	1.4285715	0.0952381
8	C21 H30 O6 N2	407.21765	407.21823	-0.22990644	407.21756	27456	24744	22506	21555	10020	11258	15819	29273	8982	24953	13946	13545	13285	6196	20734	32169	18840	12213	20658	34529	28587	36702	18229	33739	20319	11348	14412	10995	27181	19909	24276	32757	27633	22298	36287	25084	31388	14893	23441	31013	17011	9739	0	0	0	25350	14105	0	31134	23605	20883	22608	11031	0	13983	4364	7748	26198	2397	4401	28397	13890	9830	8573	6949	11802	11602	21392	8290	31463	21297	22752	24131	21104	19860	21473	0	15133	19126	11365	13087	5855	6577	15862	6711	5291	18813	10410	13625	35049	43344	27625	56924	15504	30747	0	22930	23059	6109	6556	7108	28410	12204	32143	9289	25952	5944	0	16413	9068	Lipid	0.2857143	1.4285715	0.0952381
20	C21 H30 O6 N2	407.21765	407.21802	-0.31609166	407.21753	11974	9755	6582	9247	2574	9636	8670	10900	8320	11730	6107	8287	4588	5062	7862	18185	8984	8207	7971	16349	11540	12099	7848	15245	15944	4261	6330	7509	17449	11796	14740	14052	23319	16181	10889	14784	18002	8318	15641	12430	9619	7237	0	0	0	14843	6885	0	20548	11737	12597	10260	7188	0	4362	4042	1676	17348	10626	6530	21996	9826	5706	4119	3491	6763	10812	13430	3302	8457	7933	12189	13668	12433	9178	14128	0	8369	9578	8076	6705	7056	11347	8726	4341	5129	8955	8824	10222	17082	31841	34482	27605	9101	8924	0	13038	7177	4252	3519	3135	16196	10816	20622	5453	16702	3848	0	11547	8462	Lipid	0.2857143	1.4285715	0.0952381
6	C21 H30 O6 N2	407.21765	407.21826	-0.24280109	407.21756	20919	21041	20688	20924	6721	8829	14562	41807	6901	29559	11145	11302	9030	4441	18546	31526	15648	7871	14724	36484	34856	24810	14490	26908	21228	14989	12609	14220	28135	35032	43323	30504	37100	21082	34724	22799	31793	14330	24739	28506	27845	8257	0	0	0	20378	10369	0	58148	32201	21859	21028	8876	0	9784	6162	6064	33124	1840	4355	27280	17289	8319	7664	3628	9633	9580	24648	12973	25460	21639	43642	23388	21910	16071	20812	0	16295	12270	15113	13144	5415	6681	15629	5876	5767	15400	9926	11335	24977	31347	27446	41777	14338	28479	0	20640	18020	4388	4168	3969	26333	12188	22743	9771	23246	4605	0	13588	7608	Lipid	0.2857143	1.4285715	0.0952381
18	C26 H30 O4	407.22168	407.22208	-0.32763144	407.22156	9973	11036	7370	7069	5909	3058	14725	12865	6686	4957	6417	5914	4260	4347	8014	11875	24294	0	3794	6920	8943	6025	6548	13661	9949	11712	13034	5097	6759	9524	7196	8538	12753	4603	4635	10026	6058	6442	21817	7554	12068	5662	0	0	0	4553	7601	0	7140	8985	9506	6274	3274	0	3385	8662	7584	10889	4988	14661	11995	1910	3599	2676	4388	2301	3899	23446	10230	10866	20486	5489	6542	11197	16967	6463	0	6257	18136	6144	15319	6815	10339	7154	7699	7997	20507	4293	3993	24683	8924	7492	10816	5362	5157	0	8759	3834	6955	8033	6396	15009	7067	8692	4213	10151	7504	0	15078	0	Phytochemical	0.15384616	1.1538461	0.0
26	C26 H30 O4	407.22168	407.2221	-0.19960582	407.22162	50173	51422	46900	44181	53001	27393	22518	57927	32713	30837	76397	29243	36214	23988	40821	64995	42742	28019	58983	67947	64071	49925	46134	62180	46030	202482	25523	75383	49926	60501	48360	45321	52060	38851	54179	57270	43393	35054	46827	61024	68770	38072	0	0	0	48343	37395	0	47777	49547	49025	48889	41899	0	34608	34720	28528	48777	35849	31761	53071	35987	33655	33693	18989	41957	56162	51889	183157	107713	147925	31777	37647	46520	33181	42224	0	32297	65977	71001	35827	40895	35853	54330	42190	32747	96244	37871	39252	55336	31002	41954	64401	71100	41695	0	46727	48842	32960	45899	59562	65168	30662	58669	33751	39971	46546	0	48776	33619	Phytochemical	0.15384616	1.1538461	0.0
2	C20 H30 O5 N4	407.22888	407.22952	-0.1520248	407.22882	1546	2166	1457	0	0	0	726	1468	0	479	1628	1012	0	0	1714	472	823	0	0	494	361	508	1558	628	836	0	0	3040	947	0	1012	1305	784	978	0	724	1483	779	1070	405	0	0	0	0	0	0	482	0	1074	436	1185	681	0	0	0	0	0	1060	0	249	453	0	0	0	0	0	359	2010	0	201	0	840	497	958	352	765	0	312	1023	27013	702	0	501	0	0	0	1630	596	558	3974	34069	7964	2897	3750	0	0	1202	733	475	0	0	670	780	539	339	1365	0	0	873	0	Peptide	0.25	1.5	0.2
12	C20 H30 O5 N4	407.22888	407.22928	-0.13233165	407.22885	2609	3871	2932	5997	0	2789	0	2043	0	0	4810	0	0	0	1077	0	0	0	0	0	0	0	1194	3080	1202	0	0	28222	0	0	1490	0	2651	0	0	0	3760	0	1637	0	0	0	0	0	0	0	0	0	1359	0	4324	0	0	0	0	0	0	2267	0	0	0	0	0	0	0	0	1001	0	0	0	0	0	0	0	0	0	0	0	0	152231	1263	0	0	0	0	0	0	1379	0	4629	256897	52028	2559	18649	2178	0	0	2764	0	0	0	0	1081	0	0	2254	0	0	0	0	Peptide	0.25	1.5	0.2
10	C20 H30 O5 N4	407.22888	407.22925	-0.35905614	407.22876	6592	5326	7223	5961	0	3286	1916	2785	0	0	2739	1703	0	0	2496	3076	5320	0	0	0	0	1708	0	2946	3478	0	1976	54050	4080	3491	2983	4467	4451	3869	1380	2878	2503	3083	5029	0	0	884	0	0	0	0	0	0	5976	5349	5294	5563	0	0	0	0	0	2253	0	0	0	0	0	0	0	0	0	7649	0	0	0	4827	4742	3656	6217	4845	0	2075	1691	346959	1675	0	0	0	0	786	1595	0	0	3609	473922	101043	2641	22797	3000	0	7389	5506	0	0	0	2083	1731	0	0	2675	0	0	2763	0	Peptide	0.25	1.5	0.2
14	C20 H30 O5 N4	407.22888	407.22903	-0.42958567	407.22873	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1234	0	0	0	0	0	0	0	0	0	0	0	0	0	1222	0	0	0	0	0	0	0	0	0	0	0	1719	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1519	0	0	0	0	0	0	0	0	1264	0	0	0	0	0	0	0	51804	4126	0	0	1768	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.5	0.2
22	C20 H35 O3 N2 S1 Na1	407.2339	407.23422	-0.30770314	407.23376	6889	5996	6902	8828	9097	4827	5727	7573	9360	4267	7348	5065	6796	5542	5985	7155	9403	11168	8280	14339	10762	5104	5957	7154	6395	16113	4492	8903	7954	9879	5846	6448	12607	5209	10197	8196	7486	6153	8209	9190	6088	5181	0	0	0	4763	5037	0	6584	4569	7935	6755	4196	0	9278	5636	4499	5350	5612	4319	6277	3875	5777	6522	3557	6784	6178	6450	10730	14572	20741	3053	6205	6626	6775	6881	0	4245	5700	2351	4012	2357	6438	8010	8470	5922	6213	5809	5580	4847	4252	7241	4203	3142	4415	0	7132	7710	5085	7548	3894	8290	3508	6723	2688	7983	5317	0	5346	9120	Organosulfur	0.15	1.75	0.1
24	C23 H34 O6	407.24283	407.2432	-0.17344034	407.24274	434941	443185	421338	443707	427299	327101	489123	372388	423149	586027	374505	209388	524416	321866	320389	426835	298766	608976	862623	752007	660983	396021	267943	334189	349472	505187	405726	412717	465308	381681	349497	479175	598862	395047	683357	507966	657643	279190	334872	454662	295660	278996	11995	0	0	332914	216970	2047	466794	275637	449611	438386	402956	5663	673942	459414	258387	491605	396219	191612	445595	282235	514405	423642	232261	537657	452534	327105	385893	762548	575635	296833	362043	412948	316552	381249	0	274922	367124	245043	233377	239379	450788	372220	455061	355664	450193	297416	422955	436067	599768	620871	472891	267576	422760	4264	462529	470578	269579	455694	451684	644397	231623	489051	304117	362012	336713	2779	307226	506583	Lipid	0.26086956	1.4782609	0.0
20	C23 H34 O6	407.24283	407.2432	-0.22821246	407.24274	182780	195596	185955	179970	169461	114090	261436	177933	165816	149715	128440	128269	176208	143093	161048	239835	281722	185986	256598	183727	196743	157391	129118	163274	163060	213332	267948	140317	211214	191816	148252	210707	241912	147845	164574	221999	221352	143290	262201	104047	138224	136391	10213	10253	4336	101466	115116	10615	202767	153169	196098	201705	162539	5112	211517	202199	132927	224471	118534	134135	194559	88335	196375	158196	141236	198904	171326	289898	138171	196320	239032	114731	154109	188535	288883	176148	5236	117034	218155	121142	139659	89068	280264	218570	251190	175341	256948	139263	161644	258996	201932	191565	231743	106095	140403	10621	190744	201478	139057	247695	275372	276900	132486	192377	98835	159621	197028	10305	168923	171806	Lipid	0.26086956	1.4782609	0.0
16	C23 H34 O6	407.24283	407.24326	-0.27266347	407.2427	20266	28420	23847	21827	17361	8630	30991	23708	14036	5107	16818	19959	12746	15250	17913	33855	51227	10231	28299	13643	12817	12548	17240	26884	22205	13525	35116	10826	26147	25598	18452	33142	29104	14198	11798	31742	25000	25185	51680	7716	13189	14810	932	0	292	9312	9514	0	29621	23075	19361	27108	17291	0	18438	25586	15852	35394	10598	21654	22961	7025	18867	14048	17212	15073	15397	48064	11753	9979	16975	13021	16730	31698	44708	24572	0	15824	31264	12039	21331	8605	25674	14100	33702	20516	48741	10657	17137	83137	24692	19295	0	8847	10809	0	26594	19542	18386	39479	43098	33388	15631	18490	5893	16510	27183	0	26303	16609	Lipid	0.26086956	1.4782609	0.0
18	C23 H34 O6	407.24283	407.24323	-0.24351162	407.2427	83300	92266	81493	72588	65544	43270	98242	76582	59478	45481	44382	54582	56391	51406	60310	98222	124751	58003	93559	63898	52785	54073	56128	66265	61358	61281	113248	46787	88216	76277	61999	89555	94474	56847	45126	80462	78125	60682	132233	27573	46678	48946	7511	5264	2598	38275	45066	5443	80314	60269	74005	82540	51477	3577	81045	78134	51570	94440	44153	51466	80597	20231	75335	56808	52192	67485	67036	140029	50143	49454	76301	38502	55332	80778	129453	83738	3860	39885	101982	51152	59000	40497	82893	68326	104467	72905	114303	49638	55863	135932	80057	80721	94534	37384	52248	5839	79040	73727	51526	105023	126300	95445	46243	65743	24593	59941	69862	6562	73690	49972	Lipid	0.26086956	1.4782609	0.0
22	C23 H34 O6	407.24283	407.24323	-0.21031019	407.24274	378769	385071	352836	394921	379533	275652	514893	334642	354652	403240	282717	213475	324687	295880	304325	413447	404112	450854	535585	489663	498741	309115	270161	302905	315147	453166	477615	334700	419666	360818	292631	431915	487227	341183	430111	434258	478585	286229	407660	275164	292654	268397	13327	0	1301	236925	213315	2654	392392	290724	366854	374680	331876	3029	518602	411690	257513	444246	244170	216773	397271	199573	398501	342323	238614	424304	370751	436403	340707	540627	512065	239279	288255	337964	349248	360071	1167	242036	382555	229091	250606	200189	463287	347866	430366	337757	431596	287405	352932	408318	454546	466886	383642	218271	332447	0	345303	381050	272927	425566	401874	549201	223202	369407	208595	334081	362225	0	310901	398551	Lipid	0.26086956	1.4782609	0.0
14	C23 H34 O6	407.24283	407.24326	-0.17008466	407.24274	8261	6038	4301	9331	3059	1779	12084	2569	4034	0	3669	5824	2585	2171	6035	10594	14124	2830	6315	0	1939	6929	3057	3638	5111	1764	13749	0	5049	7620	6018	9524	7558	3185	0	5952	6787	4475	15484	0	0	2649	0	0	0	2057	4213	0	4941	5239	6613	5610	6440	0	4711	6162	4927	11970	0	7197	0	0	4154	4604	5112	3856	5360	17137	0	3622	1734	2969	3442	9304	10856	8493	0	3900	10966	0	8304	3219	6325	1913	5650	5035	11986	2160	5051	20758	3916	3328	9984	0	4059	0	5294	6132	4333	11194	10333	10028	4712	4585	0	4058	6407	0	9723	2137	Lipid	0.26086956	1.4782609	0.0
26	C23 H34 O6	407.24283	407.24326	-0.15367137	407.24277	174038	159407	166078	156461	173597	110624	157692	161085	179324	195504	143349	76248	212986	127601	140654	159036	108372	238052	360211	298970	256153	170019	106107	141213	143737	198075	140563	172946	215947	158046	148461	178495	243651	139328	287515	201508	268565	115451	109778	195560	114670	117481	0	0	0	141920	87217	0	182282	110639	177820	161156	153532	0	279328	198380	102401	189029	179630	67605	167755	132425	192770	159050	83677	211643	190439	125798	163893	330061	211556	104839	137977	174464	105082	152779	0	112350	129161	109434	93261	109606	171273	135686	183401	139440	179446	108621	145439	137695	249446	295251	217795	107443	177010	0	181519	197245	103182	178137	208966	247222	83468	203040	150052	126505	137976	0	119844	183013	Lipid	0.26086956	1.4782609	0.0
10	C22 H34 O5 N2	407.25406	407.2545	-0.18735364	407.25397	2600	5753	1495	1862	0	1786	4870	4846	0	0	0	5755	0	0	2535	17212	2407	0	0	3377	2104	1884	2122	10282	3895	0	7769	0	3788	3372	2822	3530	2837	3139	2398	3515	4660	2535	2567	3134	0	1363	0	0	0	2082	0	0	4798	2347	2013	2600	0	0	0	661	0	15873	0	0	15079	0	0	1220	757	0	0	4202	0	0	0	4275	4621	2677	2904	3495	0	6753	3604	0	1420	0	0	1029	0	0	4478	1315	2391	20680	7648	0	12096	1787	3647	0	4250	2320	0	0	0	3093	6810	3201	0	4174	0	0	1326	0	Lipid	0.22727273	1.5454545	0.09090909
8	C22 H34 O5 N2	407.25406	407.2546	-0.16241927	407.25397	2733	3947	3583	4745	0	0	6655	8762	0	1364	1629	7445	866	0	10351	13256	1709	0	1395	3716	2242	1745	2253	6263	5762	898	7023	1695	7403	6860	14901	5943	4585	4119	4407	4237	4299	10885	4258	0	0	1269	0	0	0	2289	1785	0	9203	6652	4412	2924	0	0	0	0	0	7438	0	0	9128	0	0	1223	0	928	879	4789	0	1816	0	8477	3972	4110	3450	3068	0	22190	1025	0	2095	0	0	1495	0	0	4973	766	1604	16990	17480	0	15554	1870	2456	0	5002	2830	0	0	0	5122	15841	5402	0	4818	0	0	2498	0	Lipid	0.22727273	1.5454545	0.09090909
22	C22 H34 O5 N2	407.25406	407.2543	-0.36869016	407.2539	2482	0	0	2525	1741	1552	2731	2596	0	0	0	1487	0	0	2044	3030	6132	0	0	0	0	1583	0	2122	4518	0	2743	0	0	2003	1781	0	2558	1565	0	1511	1680	0	4345	0	0	1594	0	0	0	0	1679	0	3247	1568	2635	1798	1742	0	1451	0	0	3989	0	0	2580	0	0	0	0	0	2223	9559	0	0	0	3030	1646	1891	3145	1934	0	1982	0	1491	0	0	0	0	0	1160	1940	4709	1102	20881	5472	3945	3844	0	0	0	3495	1681	1101	0	0	2453	1387	1650	1680	2061	3031	0	1532	2766	Lipid	0.22727273	1.5454545	0.09090909
20	C27 H34 O3	407.25806	407.25842	-0.30065045	407.25793	5048	4396	4064	2954	4593	1444	8959	8660	5252	0	1854	7324	2134	2442	4000	8237	23206	4937	2598	3205	0	0	2591	2165	2797	1974	10068	3086	5149	7853	3858	6748	7080	0	0	4819	2800	5532	27993	1843	4123	2845	0	0	0	0	2372	0	4208	5009	3903	4845	3767	0	2317	3932	4623	5505	1579	5506	4138	0	0	2626	5676	1863	3353	31172	1681	2210	2243	1323	1680	5981	18194	5722	0	5196	12659	3157	5566	1255	4475	0	10246	6122	14003	6296	3257	25079	3703	3367	5123	0	2204	0	6572	3086	6679	9346	13308	8041	4596	3471	0	7236	7316	0	9006	1948	Phytochemical	0.11111111	1.2592592	0.0
8	C21 H34 O4 N4	407.2653	407.26578	-0.37350696	407.26514	0	0	0	0	0	4229	0	0	0	0	0	0	0	0	0	1354	0	0	0	0	0	0	0	0	0	0	0	14161	0	0	0	0	0	0	0	0	0	0	0	0	0	970	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37478	0	0	0	0	0	0	0	0	0	0	72631	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.1904762	1.6190476	0.1904762
22	C24 H38 O5	407.2792	407.27957	-0.27819613	407.27908	42344	63522	48482	48652	40480	19804	268290	37458	24836	20546	29682	40666	16100	68604	38580	72446	185862	17150	39620	19528	16748	19560	23978	30018	53682	61080	253167	49372	49658	52334	37798	67778	78440	42090	21014	68148	53458	38808	171374	9050	23486	39278	0	0	0	10408	27770	0	68068	34550	64780	52840	47534	1432	36204	34524	29854	66642	8822	34666	66082	8900	45584	23390	56916	50434	71928	188162	19682	23652	33084	16984	36962	71274	122388	56138	0	20486	43688	40312	34166	20354	159544	151370	34498	48450	88834	75036	47964	161504	71058	40474	44262	15804	21752	0	58696	64472	24012	44068	40940	97724	29586	38700	20234	41970	37716	0	62688	19796	Lipid	0.20833333	1.5833334	0.0
26	C24 H38 O5	407.2792	407.27963	-0.16269556	407.27914	156397	140377	147360	146126	76845	49000	539132	111671	59590	56771	103531	102854	62742	130002	95599	314108	444996	61609	108914	92776	75034	181892	152051	45237	170465	102508	505681	153012	149233	174004	102314	143826	195116	86121	92397	165089	166759	97355	477834	72924	87953	71475	0	0	0	60790	62128	0	240877	130174	154906	140272	89738	0	93938	79652	67573	284556	171150	74617	225099	109281	91856	58387	105285	105414	159116	498799	60442	82093	90901	55881	76031	244537	121354	138417	0	90606	205723	169805	165631	92430	170813	146408	85175	92552	310593	68791	88388	1081383	222845	231752	606862	115676	90950	0	163351	159006	53116	84604	104288	264126	72896	143367	156867	126440	65443	0	207729	51871	Lipid	0.20833333	1.5833334	0.0
24	C28 H38 O2	407.29446	407.2948	-0.32983604	407.2943	7635	8642	6640	7957	6215	2298	12355	14143	5505	1248	1946	12448	0	4828	9345	18259	62169	0	3615	0	0	0	4304	3194	10668	0	17735	2570	14147	34354	11631	16175	7710	3310	0	25229	4872	12457	63507	0	3134	2938	0	0	0	0	1415	0	12644	17535	7601	8128	7841	0	4093	5514	6909	10775	2101	6482	10157	0	1986	3625	8637	1992	4411	69064	1395	0	1326	2371	5047	32736	49423	29852	0	8521	13523	2640	10688	1392	4438	0	11659	7650	29723	4797	3767	52324	5395	2698	4506	1499	2020	0	7259	8175	6775	13598	15142	19923	9854	4647	0	6589	10690	0	14785	0	Lipid	0.071428575	1.3571428	0.0
26	C28 H38 O2	407.29446	407.2948	-0.25045976	407.29434	14684	12795	13333	11438	8599	4493	22962	27320	13757	1511	4272	22855	0	12524	17211	28434	68327	0	8754	0	0	3952	10768	10626	15759	8181	24919	5669	29130	74581	26784	28509	16460	8594	2491	48884	11883	21973	65115	0	5071	9714	0	0	0	0	0	0	26260	44144	15354	15300	8037	0	8856	13905	13283	20470	3933	6994	18581	0	2395	6940	7976	3409	10248	83743	0	2392	3056	7205	13897	74878	56088	49384	0	15772	29340	11729	16217	5196	8537	4538	27647	20179	58981	7254	12036	58366	6249	6209	11288	5106	0	0	17095	14092	15319	29914	30128	30741	15269	11209	0	15018	18520	0	25132	3007	Lipid	0.071428575	1.3571428	0.0
22	C28 H38 O2	407.29446	407.29474	-0.3234098	407.2943	2158	0	1633	0	0	0	3475	2078	0	0	0	1925	0	0	2340	0	36263	0	0	0	0	0	0	0	1905	0	5039	0	3362	4234	1542	0	2207	0	0	4168	0	1805	37674	0	0	0	0	0	0	0	0	0	2298	5151	1473	0	0	286	0	1796	1638	1917	0	1001	3044	0	0	0	0	0	1635	49533	0	0	0	0	0	3051	15322	4087	0	1055	3379	0	2366	0	2115	0	0	1719	5285	0	1953	17723	0	0	0	0	0	0	0	2361	0	2366	2573	3089	2413	0	0	0	1793	0	5102	0	Lipid	0.071428575	1.3571428	0.0
24	C25 H42 O4	407.31558	407.3159	-0.249918	407.3155	9325	7735	9369	9410	867	1882	61208	14154	0	0	3775	5344	0	10319	5315	19803	33026	0	0	0	1419	0	1957	2143	5944	3417	59409	8687	21553	24424	16661	22266	9766	11289	0	23020	5950	4676	34683	0	1896	4812	0	0	0	0	2476	0	33495	15846	6993	9133	10870	0	0	1262	4207	14731	1015	4847	14887	0	1853	0	10524	2450	11116	43239	2660	1636	2412	4335	8865	8157	39383	14178	0	3080	5050	5415	3164	3501	10220	10227	0	5018	31973	2303	16551	100779	6203	5545	5897	0	0	0	10617	7754	2965	0	0	17367	3284	2612	1831	5241	0	0	9902	1749	Lipid	0.16	1.68	0.0
28	C25 H42 O4	407.31558	407.31598	-0.25545743	407.3155	10449	8598	9272	8297	3393	4212	169710	14382	3816	4401	24329	6964	3152	18720	10168	11109	14688	2372	4069	7009	3456	4244	8301	6763	14707	19969	143449	30247	15914	23968	9745	15717	11989	11115	5486	20986	9477	10140	10088	4127	8565	9029	2223	3778	7550	7916	6979	2831	18880	13009	9092	8292	7508	7226	4400	9728	6782	14762	17612	9737	19456	10113	7039	2701	24258	7880	14659	17339	15616	3767	5407	5363	6667	10535	10811	7713	6806	5348	8982	25435	6052	13529	11222	15758	6674	6821	26205	4694	7797	25909	15177	14844	7001	10642	6088	3382	11291	10902	7921	3348	8694	12610	7003	14274	24241	9353	4690	3732	10874	2229	Lipid	0.16	1.68	0.0
22	C25 H42 O4	407.31558	407.31586	-0.14654873	407.31552	1860	1725	2026	2896	0	0	5124	3720	0	0	0	1090	0	0	0	4444	14976	0	0	0	0	0	0	0	2448	0	7112	0	6824	9763	4963	6229	1901	3836	0	6938	0	2511	13920	0	0	1335	0	0	0	0	0	0	9095	4647	4175	1953	2016	0	0	0	0	2282	0	0	1542	0	0	0	0	0	0	15613	0	0	0	0	1309	3384	24437	3590	0	0	1288	0	0	0	1095	0	0	0	9950	1024	2764	47076	0	0	0	0	0	0	0	1354	0	0	0	4654	1418	0	0	0	0	0	1816	0	Lipid	0.16	1.68	0.0
28	C22 H46 O6	407.33673	407.3371	-0.25239664	407.3366	21729	19337	22888	21121	23391	37913	13356	64680	17024	22968	19721	17267	17202	42201	20763	29943	13094	12591	33899	45646	12827	19381	14787	16601	27598	27641	13834	28095	28791	23641	22063	56977	18783	23909	16548	26688	15377	18126	15477	26353	15231	26683	18133	14927	21081	36508	14902	14775	46815	26414	23971	19902	19366	21963	11611	13968	19296	46359	47922	16423	32019	25166	13033	14632	16222	19242	61598	27291	18088	45505	14310	33555	17626	24600	15630	19142	25052	16045	16604	19653	18588	15578	20369	20673	14806	16015	18643	16359	24824	18192	204636	43695	14607	23635	21845	16263	19768	17767	17647	14645	19789	13542	17071	27528	75205	18168	18465	16030	29207	13070	Lipid	0.27272728	2.090909	0.0
26	C26 H46 O3	407.35196	407.35162	-0.30324343	407.35184	0	0	0	0	0	0	31665	0	0	0	3526	0	0	7244	0	0	0	0	0	0	0	0	0	0	0	0	27742	3271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12839	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2603	2582	2549	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2404	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.115384616	1.7692307	0.0
14	C17 H13 O11 N1	408.05612	408.0567	-0.09119808	408.0561	3316	2785	1790	0	8906	2355	0	0	10171	0	0	0	16452	1505	0	0	2304	5099	4970	0	3158	9048	1843	3558	0	0	0	0	0	0	0	0	0	0	4785	0	0	0	0	0	0	2131	0	0	0	0	0	0	0	0	2513	2175	4391	0	9448	7432	2128	0	0	0	0	2035	26897	15400	2433	8877	1944	0	0	0	0	0	0	0	0	0	0	0	3248	0	1582	0	0	0	7165	0	0	2609	3040	0	0	0	0	11798	4365	0	4494	0	4327	13150	6157	0	1188	0	0	0	3864	0	0	16320	Phytochemical	0.64705884	0.7647059	0.05882353
16	C17 H13 O11 N1	408.05612	408.05676	-0.006044004	408.05612	4527	2206	0	2734	5976	2512	0	0	8871	3920	0	0	16793	2362	0	0	0	9589	6792	0	3624	9322	2800	0	0	0	0	0	0	0	0	0	0	0	3991	0	0	0	0	1539	5103	2231	0	0	0	0	4158	0	0	0	3320	0	2454	0	5015	9227	4146	0	0	0	0	0	15662	11710	1678	8807	4066	1769	0	0	0	0	0	0	0	0	380	0	1602	3461	2302	0	0	0	11890	1900	1511	1858	2491	0	0	0	0	14919	1854	0	3402	3803	3545	8359	10640	0	0	0	0	0	5050	0	0	23399	Phytochemical	0.64705884	0.7647059	0.05882353
20	C18 H17 O8 N1 S1	408.07477	408.0753	-0.007583032	408.07477	1710	3902	4523	2471	6847	2110	0	0	3278	12580	5947	1429	7123	2223	0	0	0	4021	3298	5355	8434	15973	3668	2345	3353	4301	0	0	1689	0	0	0	0	1636	12184	0	2445	0	0	13213	10948	1629	0	0	0	6998	7825	0	0	0	4291	2489	3183	0	4465	1515	967	1657	2920	1329	0	8876	4223	6004	2447	3050	1933	0	6228	7628	5417	0	0	0	0	0	0	1359	5270	11350	0	4875	2609	0	4872	1733	3244	2397	2480	1767	8684	7892	4475	22403	18157	0	8291	4972	4111	3454	4435	3338	0	0	4514	0	2632	0	2136	4456	Organosulfur	0.44444445	0.9444444	0.055555556
12	C18 H17 O10 N1	408.09253	408.09308	-0.0893879	408.0925	52990	56777	66018	59153	63159	34940	16127	18809	80999	124066	113103	27174	113478	21787	23876	29087	34314	91062	87247	97798	164260	173501	39786	22224	9269	15705	17827	27975	19963	16956	23172	16787	39983	18364	198982	13944	35390	24600	34965	98510	189055	35673	1638	0	0	77831	150971	400	17584	15906	57299	57712	44809	0	106686	69642	32724	35641	25130	48760	32991	113793	160516	95438	22854	84227	38979	35337	77722	38830	79755	15003	17276	11724	22068	15229	0	22606	36976	122071	28062	66818	10345	31437	77799	29696	38635	31475	35237	56320	20788	41237	43926	177978	117735	463	63725	68706	69919	73089	69814	37627	21471	24638	97227	31111	52660	0	15123	140885	Phytochemical	0.5555556	0.9444444	0.055555556
6	C18 H17 O10 N1	408.09253	408.0932	-0.076745875	408.0925	6333	5460	5277	6098	9713	2486	602	3197	15892	11626	14198	3019	17982	2683	2454	3323	3060	12417	9819	6774	15570	10400	4462	2761	0	903	1474	0	1173	1518	1759	1699	4123	1335	20210	1392	2719	2375	4255	5406	13294	3127	0	0	0	4704	13843	0	1495	2378	6037	5610	4959	0	12814	12141	4454	3235	2631	4942	2824	3972	26053	14324	4792	12114	5595	4114	4660	3073	4237	2329	1693	972	2458	1417	0	1667	3585	0	2779	3349	818	1890	12710	3433	2457	4299	5295	3692	0	1372	4692	11078	7838	0	5386	3381	9800	15316	12413	5241	2954	3581	0	3603	9189	0	1003	25621	Phytochemical	0.5555556	0.9444444	0.055555556
18	C18 H17 O10 N1	408.09253	408.093	-0.12187156	408.09247	32638	34665	32834	37152	37268	30300	9419	12511	50701	72497	42342	11737	96670	24580	22276	19468	12032	76986	56095	34390	51544	75276	32089	24122	14115	10768	11637	15766	11333	7397	10445	9449	21187	6394	85978	8360	22358	15278	11644	53342	57135	18783	2257	474	394	43737	80376	1132	9195	8118	31955	36922	35207	588	71622	47226	25177	18470	14349	13321	17949	53162	92694	58983	22268	54119	31208	11254	30927	24513	30780	9555	7217	5735	8278	7319	467	10913	34705	64192	27012	45899	8087	18698	59279	32512	25089	24630	25982	16125	16245	22521	29965	83003	86543	697	31352	34753	35055	47077	49229	23116	15480	14711	48547	25802	41420	437	14929	91480	Phytochemical	0.5555556	0.9444444	0.055555556
10	C18 H17 O10 N1	408.09253	408.09308	-0.082787335	408.0925	42022	38584	32252	38245	48015	23742	9623	18645	62469	91241	71669	18189	89838	14506	14058	23555	23672	61703	58392	65032	118317	96043	23142	19235	5996	11172	12157	22991	10247	13514	14221	13396	20025	12638	118116	11751	24728	16690	22804	66218	124076	26345	732	0	0	36321	95064	0	17058	13709	37545	38121	31025	0	73706	50314	22500	16399	14643	28145	17031	57677	104975	69943	21654	57510	26681	26907	44274	16911	53321	16168	10736	11237	14531	11896	0	13351	26357	44153	20540	37443	10171	15856	59251	19428	21954	28544	24039	41793	10133	22326	35861	100058	85313	0	42625	45020	41871	54880	45543	22481	15312	17941	40459	21842	35175	0	9896	95759	Phytochemical	0.5555556	0.9444444	0.055555556
16	C18 H17 O10 N1	408.09253	408.09302	-0.10596256	408.09247	138119	111605	108652	77052	153397	130979	11424	36847	184155	286152	151139	57943	320872	70289	69842	51091	54416	238611	210529	186869	231966	292971	61303	60804	36928	45960	29860	68967	34546	19108	28485	40998	45045	34951	393857	34196	88690	63612	53263	159342	177305	51000	3838	0	447	146100	238682	820	44409	57044	125584	116176	121232	576	238392	155886	81855	30919	26198	65466	31816	164016	327996	175664	67962	185239	107468	39655	101925	37689	118642	30804	12763	28451	33485	57807	541	63340	107893	159192	71718	159866	46595	74109	182943	80141	95306	92126	90913	32430	28339	99655	60936	234393	274040	533	109507	63949	123473	148743	144763	63310	35965	56315	134833	67743	145913	430	31117	298901	Phytochemical	0.5555556	0.9444444	0.055555556
14	C18 H17 O10 N1	408.09253	408.09308	-0.077658564	408.0925	76172	64485	58954	74589	77550	43766	19260	25236	98340	169251	121747	26872	167284	32398	30632	23434	35844	113358	93234	107616	183079	223874	48258	31162	15717	23309	20595	45993	23764	17114	20478	22342	49294	16245	225730	19132	37568	30070	31954	97818	167292	42146	0	0	245	76720	159873	540	21288	21443	68712	63310	52103	273	122403	80646	37505	43767	39353	43860	35130	111668	158846	117154	35128	108928	45413	36411	66591	46090	72028	16829	19391	12526	27226	14266	0	26450	42018	128158	37908	76216	14942	39982	99169	44867	39521	46727	44228	70536	34939	42312	73391	182958	159142	623	68007	69098	54369	77390	76042	39533	24481	45783	125854	43258	63398	0	21043	145367	Phytochemical	0.5555556	0.9444444	0.055555556
8	C18 H17 O10 N1	408.09253	408.09317	-0.057947945	408.0925	18006	21227	17352	19661	22186	9663	5459	6123	38589	41389	42769	9087	49169	6215	7734	9160	10540	23800	32428	24526	55867	45884	13321	11124	1729	2669	4506	11679	5331	5060	6281	6618	9939	6352	56058	5054	12228	6642	10076	26485	54343	11953	0	0	0	21732	42490	0	9722	7054	18168	18385	13922	0	33494	27872	13030	6780	6966	9737	10140	25300	64837	39013	12985	31832	14422	12950	14064	11777	24430	6481	5745	5605	5614	4972	0	5644	12595	14362	7710	15283	3267	5765	31795	11364	9063	13995	13580	17548	0	8948	11547	45247	33859	0	24967	19228	28898	38726	29156	12370	6998	12068	20263	8590	22725	0	5605	55976	Phytochemical	0.5555556	0.9444444	0.055555556
20	C18 H17 O10 N1	408.09253	408.09296	-0.13782854	408.09247	14788	15140	15509	16280	32490	18208	4249	7407	29573	34511	14490	8307	52294	10561	7972	9796	6103	25222	29705	18909	25787	38503	18123	9022	6950	2698	2897	5332	6194	2755	2781	2312	6011	2932	32500	3370	12706	5856	5578	24662	25095	14049	2274	0	634	21742	55437	1616	4040	5081	18673	17384	14393	731	37691	30350	13884	6482	6516	5341	9636	23279	45605	33308	13635	26888	10725	4058	11641	7006	9811	2928	2389	2006	3256	3100	782	6707	10810	24637	12057	20498	4749	0	33085	14215	14113	10631	14960	8034	5262	6461	19411	40834	47896	955	19443	20872	15346	29916	24572	9920	5115	7801	28055	5146	25523	643	7047	61487	Phytochemical	0.5555556	0.9444444	0.055555556
22	C18 H17 O10 N1	408.09253	408.09302	-0.08329705	408.0925	8814	6755	5521	4874	9229	7345	2130	1748	8466	12802	5011	1685	25121	0	5380	3277	2027	16290	13448	4614	13085	15021	5824	2681	3108	2936	0	0	0	1234	1921	0	2485	0	11951	0	3489	3087	1134	8974	6688	6060	0	0	641	13239	21495	0	0	1766	9220	7469	8009	490	17549	17354	4302	2539	3167	2237	2895	8809	25650	12777	4224	16407	3726	1663	3559	2320	5827	1439	1256	0	1366	0	615	1565	6334	15035	6450	9505	1248	3116	16838	9603	6874	3557	5407	3498	3105	5162	6639	27577	28659	0	3805	4655	8395	11389	14704	3590	2018	2586	13923	1798	11963	0	1511	26873	Phytochemical	0.5555556	0.9444444	0.055555556
6	C17 H17 O9 N3	408.10376	408.10446	-0.030483807	408.10373	9351	7085	6077	5438	8172	3257	1472	3163	9026	5204	4452	4215	16531	2131	3049	4299	4441	9111	11523	2502	9275	12189	4925	4426	1134	0	2312	0	2307	2520	3400	4143	6152	2666	8000	2137	5331	4314	5519	5386	12361	3880	0	0	0	3170	7573	0	3099	2217	6282	6180	4097	0	8888	8137	4333	3084	3787	5506	3272	6139	21279	9046	6512	10350	6086	6883	2011	0	3849	2921	2351	1879	2491	2338	0	3134	2705	0	2283	3466	1430	1067	10705	4017	4290	7914	7784	10572	0	3156	12075	8135	5941	0	5192	6567	6216	8428	8339	4865	3259	3006	0	5545	5945	0	2499	19353	Peptide	0.5294118	1.0	0.1764706
10	C17 H17 O9 N3	408.10376	408.1043	-0.07566313	408.10373	8165	7929	9866	11466	11008	6774	4598	4313	17557	18964	13953	8890	20638	2546	5975	8117	9467	14862	15898	9607	19530	22004	10676	8293	3561	18936	3515	0	5587	4711	6507	5563	8468	4729	17832	3226	7510	5013	9368	15623	21369	6432	0	0	0	6794	21427	0	5167	4923	11311	7966	9791	0	19117	8713	6536	5758	7672	13595	0	9310	29058	19337	7465	15986	7620	10394	15630	21090	30882	5027	3954	2014	4917	3405	0	6065	12081	0	6865	8623	3496	5341	16004	6346	9930	9038	8954	24480	5557	5368	15981	19055	9396	0	8886	10461	8811	11076	1996	7495	6863	3754	0	11275	10381	0	4335	22150	Peptide	0.5294118	1.0	0.1764706
12	C17 H17 O9 N3	408.10376	408.1044	0.007420308	408.10376	4548	5222	7384	7659	6054	4930	0	4474	0	4116	4756	4573	16521	1420	5358	6343	10399	10192	9396	4511	9867	20386	8325	5670	3112	0	0	0	3103	1257	4565	3179	7947	2671	10449	3530	4044	5623	8453	7983	19942	7683	0	0	0	6862	10402	0	4187	4655	5195	4174	7605	0	13650	0	5562	5990	4899	9136	0	9083	20726	10891	5362	10547	7138	7234	0	0	5853	1974	4109	1837	5261	2499	0	3788	6628	0	4942	5120	2906	0	0	3077	7921	5809	6487	18934	4418	6265	14721	12130	7836	0	3782	5678	4458	8439	6302	4988	3187	0	0	10709	5006	0	3177	0	Peptide	0.5294118	1.0	0.1764706
8	C17 H17 O9 N3	408.10376	408.10437	-0.046904705	408.10373	63954	66411	28801	73043	112210	44356	21714	37078	63975	151908	92666	41974	157092	16171	32095	47355	64062	102964	158073	98520	135120	110346	56930	43060	18738	30166	17412	26436	31809	22974	34349	29940	21722	29022	273050	23246	38241	32965	41680	100270	177834	44270	0	0	0	61404	153068	0	31684	37748	67829	71844	88695	0	131303	96151	30218	35606	37930	53604	14004	80002	205551	93876	29318	119671	56402	49250	50910	46346	132134	36181	24179	19526	44929	16816	0	16618	30407	35160	42368	51006	22176	34640	99666	0	43067	39826	54185	93200	0	60934	96463	116912	170712	0	132686	78381	47528	134018	116935	47485	31364	43340	47508	49107	55225	0	23948	177292	Peptide	0.5294118	1.0	0.1764706
12	C22 H17 O7 N1	408.1078	408.10852	0.07086256	408.10782	0	0	0	0	1500	0	0	0	2451	3961	2348	0	0	786	0	0	0	0	0	3930	3544	0	0	0	0	14495	0	0	0	0	0	0	0	0	8551	0	0	0	0	1673	5198	0	0	0	0	0	4220	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1394	1766	0	1973	0	0	18166	17993	27125	0	1248	0	0	0	0	0	0	0	1353	782	1230	2858	994	0	1441	0	0	0	0	0	0	6057	1861	0	0	2067	2293	0	1315	0	0	0	0	0	1468	0	0	1181	Phytochemical	0.3181818	0.77272725	0.045454547
22	C22 H17 O7 N1	408.1078	408.10822	-0.22112876	408.1077	4142	3397	0	4597	1880	2148	0	1312	2229	9118	10091	0	0	0	0	0	0	3379	2281	6571	10434	7545	1126	0	2834	16461	0	10630	0	1038	1201	0	0	0	12714	1906	0	0	1177	8775	20581	3896	0	0	0	6598	16437	0	0	1516	3578	1869	1875	0	0	2073	1865	0	0	2594	2440	8010	3163	1174	2234	2483	2874	1913	24020	22133	34398	0	0	0	0	0	0	1079	2615	10213	1358	8205	0	7206	3022	0	2077	2201	981	5248	0	0	3211	15042	12648	0	1686	2857	1197	1990	2294	1469	0	2238	4910	1454	2667	0	2128	2327	Phytochemical	0.3181818	0.77272725	0.045454547
20	C22 H17 O7 N1	408.1078	408.10822	-0.118873686	408.10773	4323	6232	4867	5000	6507	2488	1333	0	5192	13765	18273	2044	0	2252	0	3661	2780	2877	4319	13373	11724	9755	2356	2416	0	34825	2138	14287	0	1663	1240	1640	1541	1441	13492	0	2600	0	1939	15839	21864	1839	0	0	0	10094	20059	0	0	1293	4017	3921	4963	0	2448	2343	2028	1653	1005	3404	3039	8297	3903	2770	1214	3772	2103	2936	42072	32333	52772	0	1624	0	0	0	0	0	3490	16657	2192	5135	1279	12938	2598	0	4657	2674	2069	4344	3482	0	2875	21759	16312	0	6144	5651	3687	4239	3158	0	0	3602	7723	2375	3371	0	1987	3237	Phytochemical	0.3181818	0.77272725	0.045454547
18	C22 H17 O7 N1	408.1078	408.10825	-0.065077856	408.10776	8960	4536	5980	3194	9774	2225	2722	3328	5966	17426	17349	922	5258	4162	0	3185	0	4380	4589	11269	14855	14223	2834	7093	3968	37088	3918	13836	0	2672	0	0	3132	0	15470	0	6166	0	5341	15308	24721	0	0	0	0	10701	9589	0	2768	0	3585	4644	1592	0	6891	5537	4639	4420	1689	5402	0	7758	10080	0	1810	2442	2879	1682	35125	38569	58412	2754	0	0	0	0	0	0	2113	15966	5768	6616	0	11623	3794	3308	0	7731	1349	10020	3245	3467	8142	18027	14137	0	7437	3118	3478	3649	0	0	0	2253	2527	3494	2253	0	5760	10362	Phytochemical	0.3181818	0.77272725	0.045454547
16	C22 H17 O7 N1	408.1078	408.10825	-0.12766357	408.10773	3407	3790	1867	0	2877	0	1238	0	2265	10988	10655	0	0	1448	0	0	0	0	2476	8940	10677	6795	1197	0	0	33377	0	6696	0	0	0	0	0	0	16076	0	1838	1240	0	7405	11395	1563	0	0	0	5366	10248	0	0	0	2179	0	1564	0	0	1822	1094	2533	0	1638	0	6131	1813	2012	0	2977	1680	1960	33786	33547	51944	0	0	0	0	0	0	0	1866	7609	1350	3181	0	8752	2043	0	0	1079	0	0	3371	4676	0	8117	7926	0	1936	4377	2075	1292	1966	0	0	0	0	0	0	0	1580	1748	Phytochemical	0.3181818	0.77272725	0.045454547
10	C15 H21 O12 N1	408.11365	408.11426	-0.13076805	408.1136	20268	44754	13780	23433	46215	11717	6038	8078	58664	90916	41604	12313	77512	14782	12846	17007	14371	60289	62586	72808	98950	57492	20766	15769	3884	17538	7420	17798	5310	8899	7794	12307	18578	6358	125348	10434	17425	26625	9394	83872	51632	17547	0	0	0	28646	44996	0	5408	7978	46575	19617	23059	0	76861	43839	8084	13222	11390	15210	0	40792	65072	45993	7908	44355	19057	18246	24116	33046	80796	10938	5862	9922	14785	7254	0	11444	13785	9915	14404	39896	7034	17722	30638	15728	10722	17239	20299	18084	7412	17098	27457	33618	81056	0	23244	19724	15014	23968	43278	19607	11947	13446	0	12700	30649	0	7547	77414	Unclassified	0.8	1.4	0.06666667
12	C15 H21 O12 N1	408.11365	408.1142	-0.04017122	408.11365	7868	14311	11249	19330	34995	9037	3635	8811	39215	43902	12596	6798	67794	7355	12178	5713	12091	47840	48884	46926	55205	36541	16947	4471	4990	12866	5439	8836	3141	7393	8505	4156	8727	6501	72462	4008	9667	8432	12358	31209	62136	12110	0	0	0	29434	29862	0	5124	5224	17462	10711	25176	0	55353	30708	11586	5490	6440	7933	0	34110	66255	36758	11112	45988	11511	0	0	35430	59974	6622	3643	4154	6622	5678	0	9641	16922	0	7480	30428	3829	12075	24497	6124	9945	11849	7506	12724	7179	17752	29218	43206	44460	0	29622	16283	22170	40295	29376	8427	9641	7972	0	12835	20441	0	6999	59538	Unclassified	0.8	1.4	0.06666667
16	C15 H21 O12 N1	408.11365	408.11432	-0.15110084	408.1136	14608	15474	11795	14823	15955	12558	5254	5032	16455	36061	23161	3463	23160	7127	5801	5782	6467	21384	23410	37203	34319	76364	10819	5620	5158	30779	4209	14762	5099	0	7123	4140	9985	4626	74430	3461	10432	4154	8482	75560	43133	7416	0	0	0	20466	34640	0	5049	1238	14376	11738	13173	0	20926	17820	3600	12928	6206	10206	0	22001	29826	18346	6259	16675	12184	8821	27779	39293	46899	3541	4669	2141	6066	4223	0	5147	13597	24233	7026	16928	8310	23073	14937	8517	10530	7894	12071	0	21347	22891	0	31529	46475	0	7880	8962	12731	14736	9624	7442	4235	10258	10988	0	11188	0	6458	26397	Unclassified	0.8	1.4	0.06666667
14	C15 H21 O12 N1	408.11365	408.11435	-0.010410317	408.11365	12664	11414	6419	13302	18504	12283	6730	5085	39207	66948	15558	6713	48936	6449	8342	10516	5102	43782	25965	18518	37178	23920	13106	5593	4399	22388	4862	14412	1499	4670	3457	0	15813	3446	77862	3635	8551	4233	9663	51593	31354	11096	0	0	0	33406	25911	0	7958	5023	11354	7625	16738	0	41880	30261	9112	10533	0	13222	0	45786	53206	51539	9901	34979	12457	8850	19193	34226	39461	4265	5386	1715	6087	4234	0	5051	10228	0	8110	31111	10200	15853	38196	4932	10465	10552	9501	10525	14655	19247	16549	26941	53462	0	8332	15027	21273	27361	27334	10355	7273	10780	0	5917	15919	0	6095	62287	Unclassified	0.8	1.4	0.06666667
8	C23 H21 O4 N1 S1	408.1264	408.1266	-0.31793675	408.12628	21050	16280	0	22190	14070	8382	9602	17155	10295	20220	0	0	13142	15040	23573	28490	23790	18320	21240	17470	23450	30130	25720	18530	12270	6716	11840	0	12371	0	810	12850	19300	12920	21880	17810	23619	19150	25090	0	0	9530	0	0	0	44100	20690	0	15480	24590	22890	26247	12019	0	12430	7870	6860	21696	13990	21600	0	0	17870	0	0	0	14080	28900	0	0	0	10640	15050	7800	37945	0	0	17489	17590	0	18197	9720	21640	12150	15580	0	18870	21397	20046	36960	0	0	38150	18050	22960	0	36510	0	11540	12050	0	19620	7610	0	0	32327	0	0	19616	19610	Organosulfur	0.17391305	0.9130435	0.04347826
18	C19 H21 O9 N1	408.1289	408.1294	-0.09555044	408.12888	143631	134232	135173	135512	126723	105351	57959	94169	119513	443827	185221	54134	231936	71671	87655	93377	57467	223981	207019	282707	298989	274617	97938	110192	74080	158860	53107	126873	95518	75381	73647	71782	114463	76140	430650	72521	116885	68704	52396	274710	187499	75292	6221	1042	1140	209054	215307	745	85476	70137	130099	140711	97215	1567	195399	123130	67590	99053	90186	47718	91655	186672	203169	138463	56128	154146	83537	57577	181244	204230	212919	81278	63756	66391	53748	69454	1051	62025	92972	150363	78264	147192	67418	127507	146552	92366	86485	81438	86148	72212	122498	158661	163003	186210	290937	1419	143772	150615	103476	100159	110789	96974	60102	106233	145861	87576	100083	1243	65486	218607	Phytochemical	0.47368422	1.1052631	0.05263158
6	C19 H21 O9 N1	408.1289	408.12958	-0.09272235	408.12888	38635	41170	35529	38223	30269	20004	14155	28525	44552	95720	69108	19081	60227	14215	20080	33430	31565	38653	47715	65958	199376	137638	28298	34517	8383	18728	16932	29691	23750	22822	23527	24620	33120	20710	244764	23091	30069	20543	38124	49124	188536	19725	0	0	0	41930	82416	0	29401	25658	42494	41430	26518	0	53076	35924	19606	35678	22871	36569	39780	43056	124552	49334	16265	44538	27630	41232	44630	38099	66722	24154	24084	21541	15183	22805	205	18396	24349	30787	22930	56666	17608	20893	41930	26828	27790	27135	24606	42349	16975	32334	45175	56136	59908	0	37823	39480	27504	38873	43897	34609	20150	34807	36313	29926	31471	0	16676	65569	Phytochemical	0.47368422	1.1052631	0.05263158
28	C19 H21 O9 N1	408.1289	408.1293	-0.21493931	408.1288	7466	6242	5906	7382	5983	7391	1787	3194	6111	20834	6495	3291	9194	2694	4040	5362	2765	7782	7767	12264	13896	10877	6620	5852	2329	7602	1024	5701	3231	3530	3439	2824	5371	3635	15552	3221	3350	3123	2335	11651	7532	2780	0	0	0	8592	9474	0	3912	4165	7850	5987	5759	0	7150	4653	2618	4278	4473	2078	3627	6695	7973	5820	1702	7159	4354	1612	9258	13912	14759	4370	2650	2962	2227	3269	0	3206	4069	6401	3312	5806	3454	4847	5370	1817	4985	3752	4393	3946	3656	3783	5717	6827	13626	0	5670	4598	2344	3535	2629	4090	2490	4308	5929	4225	3202	0	2674	10052	Phytochemical	0.47368422	1.1052631	0.05263158
12	C19 H21 O9 N1	408.1289	408.1295	-0.04423805	408.12888	233827	253797	246673	234875	149549	118588	134848	221080	210242	614738	341193	125414	263103	71267	148773	181027	165093	258248	281594	529548	604497	522880	177410	210232	111778	236418	110588	251123	177250	154421	175693	165407	233487	153380	910904	165599	184457	133667	167493	528354	558869	116917	4423	669	305	364231	421037	479	185905	179815	242559	245708	139681	654	301163	150146	104742	194750	224604	227468	220540	398355	328569	215694	81243	219292	148858	182305	410685	402598	450639	172224	159735	142641	125882	163136	339	137850	154943	238114	141213	264677	140505	238678	164354	102435	153996	109072	129889	256034	170666	257354	262066	365646	359767	1441	264549	266285	153020	128376	122300	191243	125517	219366	314575	185811	141005	0	114536	329116	Phytochemical	0.47368422	1.1052631	0.05263158
8	C19 H21 O9 N1	408.1289	408.12955	-0.0631751	408.12888	103235	107595	79261	91816	57772	40487	37094	73389	86205	245394	143504	56056	123291	30351	47783	81036	67784	86026	109045	184810	483562	352918	60155	78123	26158	60985	39006	71011	57403	57980	60373	68213	68902	60211	659272	61722	81820	45829	80766	163759	440508	43674	1047	0	0	123122	363040	0	69762	66338	90447	109497	53006	0	101020	69657	43974	64653	61946	83053	87026	129078	275014	99290	43467	96976	54584	85348	127001	108851	174785	69777	61766	54107	45653	63155	0	48623	61862	66798	49417	82232	49308	80095	69493	37620	56432	51747	58828	191528	48912	89230	108240	128264	146439	0	98271	101457	68160	77844	66757	78226	46749	101522	82281	71230	55374	0	43530	132249	Phytochemical	0.47368422	1.1052631	0.05263158
4	C19 H21 O9 N1	408.1289	408.12964	-0.081103206	408.12888	7818	10352	6474	7992	9648	5341	2878	5553	11130	13995	18280	4103	18999	5382	4369	6693	7853	10988	11903	11900	19865	16619	6923	6425	2251	4415	3666	5176	2614	4766	4611	4455	7135	3095	25917	3910	5193	5260	10295	10149	19541	5497	0	0	0	8915	17835	0	7290	4682	8496	8028	6733	312	12501	10075	3879	5192	4045	7255	7170	8747	17755	12609	4955	13203	5755	9795	10170	5293	10906	3810	4041	3196	2302	4847	0	3451	6528	7697	5171	6076	3114	3976	14247	5960	4752	5086	6126	9822	1619	5176	11273	13500	13920	0	6964	11159	9599	15400	14859	6059	4135	7736	7616	5994	8781	0	2837	16472	Phytochemical	0.47368422	1.1052631	0.05263158
20	C19 H21 O9 N1	408.1289	408.12933	-0.15271774	408.12885	67047	65770	68306	53147	60193	51569	35016	41934	73631	177009	73389	31776	115293	38058	44766	47229	17281	109107	87692	112478	128898	115741	44913	51516	35117	89615	25849	48974	45713	34117	34677	38434	59522	32975	156523	33234	55510	28934	21410	107999	83260	41221	3702	1307	1273	97153	105073	1421	38284	34502	55925	68904	61394	1586	89096	63812	32767	47921	37792	24533	41342	92689	104584	69903	37100	80324	45479	19221	95481	100004	103608	34856	32688	29742	23333	29586	727	38765	46236	65788	38680	73197	28165	68180	70577	49545	47108	42248	38587	28155	43479	65516	70079	92590	111989	1520	66476	69105	53455	48662	60202	45256	28616	43289	82435	50592	59470	1783	33360	112962	Phytochemical	0.47368422	1.1052631	0.05263158
26	C19 H21 O9 N1	408.1289	408.12918	-0.2218603	408.1288	6688	6331	6108	6369	8299	8143	1616	0	7202	20640	4057	3435	10414	2515	0	0	0	15731	8951	7904	11898	12193	0	0	0	5690	0	2922	0	0	0	0	3132	0	15937	0	3244	3846	2624	10091	10518	0	0	0	0	8355	16563	0	2823	0	5709	6647	6158	0	11639	0	3067	4061	5106	0	0	6006	10813	6826	2235	7315	4198	0	12113	14076	20120	3345	0	0	0	3390	0	3178	3247	7085	2993	5158	0	4867	6743	0	2761	5883	3096	3475	2775	2439	4506	10144	17977	0	4752	6502	2498	5096	0	0	0	0	5664	3275	0	0	2411	15124	Phytochemical	0.47368422	1.1052631	0.05263158
24	C19 H21 O9 N1	408.1289	408.1293	-0.1243885	408.12885	11213	9209	10506	6781	10819	10118	1451	4255	13564	28497	10301	3141	23676	5330	5774	3954	3335	16001	12320	14825	23478	18058	9698	6170	4287	14369	2134	4450	3688	3303	2338	1927	7253	3383	21679	2158	5569	5259	3635	16408	13151	3416	0	0	0	13862	21703	0	3257	2879	9718	7536	7595	0	14366	12104	3998	4660	3913	3075	5607	12734	17426	12288	2994	13585	4467	2540	17974	19832	23373	5863	4437	1997	5039	3616	0	3224	7797	9727	6294	12135	3938	7821	15111	5509	5479	4581	5465	4155	2571	3974	7539	14833	21853	0	9836	7661	7018	6833	10250	5659	4179	4727	12700	5647	8097	0	3508	18005	Phytochemical	0.47368422	1.1052631	0.05263158
22	C19 H21 O9 N1	408.1289	408.12933	-0.15810093	408.12885	24725	23565	21335	21342	23110	21365	5911	14433	31003	57486	23385	8294	38530	12098	12835	11877	7615	35067	27520	26131	46992	40319	18891	20915	9521	28964	4283	12995	12129	6522	9142	11156	13623	9105	51190	10650	15957	9017	9673	31032	36373	13032	0	0	1358	41357	60038	0	8998	11348	20416	19086	21701	1550	35996	22765	13630	8775	8765	6242	12085	35272	43025	27165	9534	29663	17781	4095	39635	47778	48598	13388	9321	7018	8910	9694	1512	10090	15580	22025	14271	23613	8428	20706	30785	17394	14180	14872	11470	9974	13084	16148	22179	32650	47620	0	23863	25410	18628	16368	25366	15518	6407	18949	35101	14278	24668	0	12056	47837	Phytochemical	0.47368422	1.1052631	0.05263158
14	C18 H21 O8 N3	408.14014	408.14056	-0.24734671	408.14005	420220	416281	389863	427463	458404	271866	553951	701224	412922	1277068	660404	270104	441326	196252	564265	694712	496858	500419	717633	1178729	1019520	1038354	619764	793376	593501	695188	399055	401864	629965	343311	632383	383163	416239	522792	1410108	574533	646151	326301	501424	703215	931430	251649	0	0	0	773604	818371	0	691309	355267	605520	598909	296800	0	546261	305898	173173	737306	377213	260165	371888	715437	491620	311606	181468	394113	464675	349365	386660	986576	965647	654476	361907	532079	419651	576539	0	519881	543290	108244	277488	616252	463209	635453	333701	223231	547107	253783	459580	812423	652458	855424	1017399	780881	891830	800	702216	381329	257384	259550	282389	657234	259148	714796	331865	620747	270300	0	494241	490493	Peptide	0.44444445	1.1666666	0.16666667
12	C18 H21 O8 N3	408.14014	408.1406	-0.19512996	408.14008	0	40597	41938	0	24436	24208	43750	64074	25803	30206	24028	33587	26517	8911	0	49222	55382	35889	48112	40258	39337	89810	45359	56672	36494	5466	24982	15196	45251	0	44062	41299	53955	37639	46377	0	44919	40819	61504	0	49541	25010	406	0	0	46812	52365	0	48415	0	43755	41367	0	0	39614	16781	19277	53659	48678	59623	36852	42894	36851	25228	0	38687	28009	53305	0	20617	19309	41673	33143	37077	32758	33773	0	0	46106	27859	36211	28503	31511	18908	20378	18883	0	27759	0	88563	46478	58666	86150	36081	29955	0	42528	49262	25207	14794	15860	54345	31428	38494	28228	56383	20413	0	34409	96766	Peptide	0.44444445	1.1666666	0.16666667
8	C18 H21 O8 N3	408.14014	408.14072	-0.14508082	408.14008	81138	0	59919	76368	30312	31858	43922	77359	45550	66475	51980	59489	50780	14802	57139	80398	81000	52450	68825	72614	81851	112885	68176	94561	37405	7663	47010	27929	67128	58210	67534	72213	85783	64275	92089	68325	84144	58034	95737	88286	102923	0	0	0	0	79159	101900	0	77166	71691	76735	76454	38120	0	61323	0	31224	77642	74835	70945	90372	65414	61885	0	32488	47579	44353	97534	20567	29646	39330	79178	68898	60489	56069	67872	0	50523	63683	52970	48401	47100	50884	38517	36483	27320	62932	49586	51409	117891	51180	85022	132034	69296	65169	0	78204	73772	31420	0	29656	83606	52128	101931	65625	82115	30989	0	53677	70064	Peptide	0.44444445	1.1666666	0.16666667
4	C18 H21 O8 N3	408.14014	408.14084	-0.14085652	408.14008	15016	15543	16570	15568	7771	7260	7361	16138	12285	14863	11489	11317	15197	4765	13345	17282	23594	12213	16544	13158	18723	27094	16490	21586	5843	1708	9280	4859	10185	11976	14832	12303	17681	11766	19984	11646	17870	11485	29172	16548	27706	10048	0	0	0	16232	27073	0	15959	13000	14395	15217	10319	0	16362	10352	7701	15391	11766	17437	18624	11439	17713	13327	10330	12765	9786	26506	6242	4254	9465	12324	11565	12465	5223	11337	0	11125	13796	10103	11057	8914	8308	5731	12806	7669	13397	11640	11284	28190	9676	13961	31795	14206	11614	0	15122	16316	9165	14163	12387	16311	10940	19327	15119	16085	7922	0	9572	17179	Peptide	0.44444445	1.1666666	0.16666667
6	C18 H21 O8 N3	408.14014	408.14078	-0.12876481	408.14008	55390	55022	47221	54990	26433	19218	31669	61775	35029	47105	36088	41499	0	10126	39459	70567	58293	37996	54691	55634	68014	80967	47563	62202	21929	5314	27412	22389	51553	48671	54358	56666	59540	43765	67021	52813	55701	37913	79296	51152	84355	28639	0	0	0	57035	88772	0	69025	50192	56774	54189	28591	0	44109	21567	24325	66490	47137	63756	60763	37615	53620	42615	26024	41207	40141	82059	16843	21351	28021	49989	46587	42293	34094	45662	0	32738	42312	30032	33988	32698	30712	23559	0	23574	41584	39731	38919	95298	34338	58751	99277	45398	49296	0	56810	46800	18194	0	24873	60134	36199	69692	68718	66746	23667	0	29660	55948	Peptide	0.44444445	1.1666666	0.16666667
10	C18 H21 O8 N3	408.14014	408.14066	-0.15155499	408.14008	0	63715	69564	60524	32409	0	46646	0	35310	56984	39649	55120	95674	16337	59527	74511	72654	46894	0	56848	68342	97402	0	86500	45035	8481	45750	20175	68841	61188	61676	69423	0	67070	74095	60863	0	0	74890	73548	0	33755	0	0	0	76687	70967	0	70754	62717	0	0	71404	0	54117	24394	57134	0	81394	71866	74735	55003	0	44916	0	0	38741	89492	23408	31275	28157	71797	65508	0	50673	56620	0	0	0	35707	49958	47590	45253	33067	31004	30986	0	44432	0	99596	50271	83322	139984	52379	60878	0	0	0	26064	25503	23789	73351	54452	86878	53473	75452	24450	0	48401	54470	Peptide	0.44444445	1.1666666	0.16666667
22	C23 H21 O6 N1	408.14417	408.1446	-0.16327395	408.1441	6756	4887	3779	6728	1304	2682	2996	1520	3364	12520	22405	1767	1843	0	1619	3600	3048	0	0	9268	9261	8254	1306	2102	1569	33950	1752	24009	1242	1283	0	0	2516	0	14468	3051	1531	1114	1677	16824	27000	1417	0	0	0	13250	24854	0	1936	1462	4691	5266	2915	0	0	1546	2207	0	0	3906	0	13515	1706	2049	0	2943	3855	2165	43384	37896	52044	1423	1592	0	1101	2207	0	0	3737	16331	1863	11741	2497	11533	2081	2019	3708	2792	2616	6715	4994	3967	3635	11112	8348	0	7427	5317	1669	2941	0	2051	0	2546	9636	2382	2412	0	1880	2894	Phytochemical	0.26086956	0.9130435	0.04347826
18	C23 H21 O6 N1	408.14417	408.1447	0.03427496	408.14417	5541	3908	6154	5378	1851	2210	0	2617	1630	15036	22414	1418	1435	2922	0	2636	2952	2767	0	18820	24325	8575	1904	3110	0	59663	1404	22759	0	1731	0	0	0	0	17041	0	3771	1489	2917	16146	26744	0	0	0	0	9246	13464	0	0	2115	4779	5654	2772	0	0	1878	2485	3153	0	2404	0	12085	4545	3277	2049	1628	2109	2084	42258	47723	65484	0	0	0	2548	0	0	0	3774	12465	2194	3753	1383	12050	2737	0	1798	3644	3225	3925	7041	0	3774	10855	10058	0	6768	5030	5429	0	1697	1998	1838	5352	5908	2553	2658	0	2721	2364	Phytochemical	0.26086956	0.9130435	0.04347826
20	C23 H21 O6 N1	408.14417	408.1446	-0.13514322	408.1441	6570	6042	4892	5559	4655	2092	1237	0	2966	16870	24978	1686	2176	4963	2489	4826	2821	2562	4378	19279	18751	6643	0	4709	3306	52048	0	33294	0	1528	1933	0	2800	2214	16982	0	2978	1327	2530	21049	28439	3248	0	0	0	8700	16430	0	1756	1724	5236	5425	2599	0	0	1744	1633	3103	0	4873	3555	11002	1569	1516	2604	2606	4547	3777	52718	57294	84735	0	1286	0	1495	1584	0	1076	4338	10781	3309	6892	4492	13413	3584	2196	4956	3829	2651	5626	6924	4235	4320	14426	11916	0	6681	5660	2731	2808	2867	3626	1387	2507	7634	3831	2547	0	3139	3596	Phytochemical	0.26086956	0.9130435	0.04347826
10	C16 H25 O11 N1	408.15002	408.15054	-0.3262306	408.1499	43779	30158	41396	26579	34047	27482	28793	50887	49385	66530	63901	31751	68905	16366	40248	33997	36228	62478	62567	70831	58364	56125	43180	51428	15429	21253	20957	18400	42023	35183	34816	44495	46979	40961	73854	42305	55616	26604	24153	70186	52317	29309	482	0	0	47492	55821	0	41765	38857	40673	39318	31146	0	83463	42040	22848	50322	24083	35963	25401	41657	59840	42914	12744	45969	25991	38878	25376	37238	46273	38946	38102	35448	44327	20525	0	29396	55331	17884	30607	31798	23134	26198	48411	29988	34783	21394	34242	44306	31378	53028	64744	41163	45780	0	49778	54324	34559	42362	41386	53519	31133	30839	27649	40636	37924	0	15266	64262	Unclassified	0.6875	1.5625	0.0625
8	C16 H25 O11 N1	408.15002	408.15054	-0.31617576	408.1499	96282	100156	60328	117935	47293	43842	47842	94489	59412	176192	89868	64869	91830	23770	60954	91096	59515	65370	84456	151688	161744	142144	66731	75772	41216	47372	51367	59684	71707	72640	72568	79972	89525	77491	236104	70118	93268	57543	87550	152176	178164	47038	0	0	0	141960	176808	0	86194	72139	84731	81126	43131	0	77540	44111	31385	79745	80707	74948	70776	113000	66349	70779	28666	75195	53094	104699	67468	94324	104844	83089	74139	65505	41961	64285	0	43706	67003	61792	59439	79608	55236	75796	50276	0	69104	50209	54378	116785	92404	102056	135719	102568	149644	0	97587	95113	39623	65098	50623	83385	53486	109124	83892	92948	15913	0	39660	91772	Unclassified	0.6875	1.5625	0.0625
2	C20 H25 O8 N1	408.16528	408.16602	-0.15411304	408.16522	9999	7194	7508	8385	7556	58326	6827	10188	8490	10296	9126	8516	11527	4892	6437	3672	10045	9821	8341	9000	20532	12400	9512	7692	3770	5029	2631	7864	10891	5741	8317	7946	14182	7343	15861	9222	8825	7449	11386	8944	15962	10855	0	0	328	6531	10248	0	8970	7300	7778	9484	5396	0	11594	5745	4496	6671	5541	9274	4120	7042	10455	9091	4162	10630	7147	15104	8556	7825	13562	9216	9192	7541	2336	9322	0	7096	10280	5446	8204	4807	6474	3555	7582	4314	9109	5851	6380	14639	4538	7747	12625	11068	4518	0	10055	9278	6417	8652	7891	8480	6893	7872	7198	10247	5693	0	5761	8965	Phytochemical	0.4	1.25	0.05
26	C20 H25 O8 N1	408.16528	408.1657	-0.16405563	408.16522	8869	7075	9490	9452	11528	5724	0	8029	10571	21593	7916	2975	20549	3487	6373	13396	0	10312	15531	16697	20720	11572	10510	13145	0	18510	2688	6777	7307	7016	6444	5782	7655	9541	21381	7870	6608	4520	6064	15625	10142	6171	0	0	0	11161	13562	0	8622	0	10038	7391	6630	0	7979	6722	4304	7129	4904	3885	9963	7141	13980	9994	3116	13323	5533	4649	17857	27154	33006	9611	6973	0	8756	5921	0	5527	5826	5032	6094	3900	4838	8679	12792	0	10543	6168	4390	6075	4796	7075	8734	4504	12804	0	8954	13840	4792	5788	5890	7632	6634	10002	6187	5726	6394	0	6145	15426	Phytochemical	0.4	1.25	0.05
12	C20 H25 O8 N1	408.16528	408.16586	-0.06916327	408.16525	291357	283075	294976	280712	147867	146107	219778	363260	186893	570612	282378	171788	194954	86724	225660	281716	243468	229760	290869	663655	672903	471657	252857	354438	435492	412054	158123	264873	291883	254465	270639	257301	326401	242990	792955	552896	272028	419986	249314	539206	470436	144501	7497	2392	2799	390108	381763	2653	287771	291539	286104	283686	155097	3718	246019	133406	105966	285535	289094	278060	287564	347833	218984	169463	90301	194939	164754	272649	468001	589293	516483	265878	265175	295532	204155	233780	2320	210496	205478	223778	199610	243788	246430	278607	162837	115030	204409	130117	166139	304063	253535	362637	367816	262640	327219	4222	304896	327121	150267	110100	119398	287072	175145	319248	246203	266442	130661	2809	182085	243144	Phytochemical	0.4	1.25	0.05
0	C20 H25 O8 N1	408.16528	408.16595	-0.23159713	408.1652	0	0	0	0	0	47893	0	0	1008	0	0	0	0	0	0	0	0	0	0	0	1939	1439	1122	0	0	839	0	524	952	0	0	0	1412	0	1128	0	0	753	1195	0	0	2887	0	0	0	0	0	0	0	0	0	0	939	0	1248	722	0	0	0	893	0	0	0	0	2013	0	0	1464	796	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1447	0	0	0	0	0	365	0	0	424	0	0	0	0	0	0	1571	818	0	0	0	Phytochemical	0.4	1.25	0.05
20	C20 H25 O8 N1	408.16528	408.16577	-0.10987386	408.16525	168057	178960	174638	155107	157612	140870	77209	157202	156153	428429	209784	96441	241900	109072	134206	170212	101073	224887	225753	404149	422446	214522	139980	175794	114784	353865	75200	163631	153255	133107	125302	121791	150880	139796	448566	129826	155998	90847	96400	299827	212071	111031	7941	3036	2304	243186	215873	3043	147583	136351	182802	175311	125786	2759	288367	150524	89244	148486	123759	89276	153880	205465	199696	160859	77033	178265	129291	99038	331291	417239	367314	147774	138349	133564	0	121089	2433	107826	124585	139799	109687	131046	95714	199429	168762	105469	110559	0	105840	102641	153571	168501	218141	167514	233762	3964	182585	208510	117120	125119	151516	163327	86109	174650	161779	135211	129200	3718	99112	232102	Phytochemical	0.4	1.25	0.05
28	C20 H25 O8 N1	408.16528	408.1657	-0.14194226	408.16522	6032	6152	5584	8893	4712	4877	1762	6371	4080	14262	4461	3608	8378	3691	5484	5460	4520	8004	8470	12354	14623	6846	4699	8434	4035	13832	3197	7005	5266	5488	5927	6326	6556	5851	14374	6287	6756	3860	3041	9412	7062	5059	1352	0	0	4807	6436	0	5119	5183	7412	5239	3918	0	5204	4139	2609	6547	3869	3529	6169	5591	7818	4930	1996	5473	3991	4363	14134	24488	19704	6237	4331	6866	4821	3995	0	4350	4700	4057	4080	4914	3359	6487	5054	3319	4409	4071	4551	4749	5570	7542	7891	3327	6490	1209	4787	6779	3902	3226	6381	5951	5350	5195	3563	6370	1838	1175	3365	6453	Phytochemical	0.4	1.25	0.05
4	C20 H25 O8 N1	408.16528	408.166	-0.16777666	408.16522	24146	50658	23860	21755	14225	13804	11461	22734	19564	41303	26573	26112	27003	10610	15509	22828	21977	21592	51122	39139	45575	82642	37186	26066	10029	14703	12381	14834	18949	15352	18981	17271	25142	15192	56864	19734	20509	26416	27576	31429	69026	14562	0	0	0	23461	34178	0	19796	21107	23321	19709	13017	374	27901	16684	8812	36374	16433	20430	23364	20804	47962	18588	7747	22122	13909	20397	21282	22487	29248	17491	15987	17818	10873	13777	0	28604	39536	20396	31116	15266	14467	15717	18324	10658	17736	11661	13672	48352	22432	27601	33516	28602	35094	673	21350	27128	14115	18045	19161	20968	14410	31657	19645	34178	12877	0	11357	25312	Phytochemical	0.4	1.25	0.05
8	C20 H25 O8 N1	408.16528	408.16586	-0.13755128	408.16522	246116	271220	98790	257456	56306	63212	60092	109104	80378	593616	260856	67639	118418	34309	75134	118756	84913	81087	230204	270876	276111	443864	80736	249818	115524	89479	56220	100860	91440	189192	89860	100598	112396	92733	411507	96519	227738	64964	179234	409870	353132	62511	1309	437	592	311856	150773	0	232852	94408	124909	255458	110038	686	112454	56745	83148	103730	89501	93492	106957	238972	112619	179040	35752	91095	111516	93620	109941	167221	178055	103591	185720	87143	63167	181266	536	66431	167538	81207	73267	84546	145520	106113	60784	40889	148762	104826	135328	120257	96230	138676	312246	271916	365746	701	123486	248446	57373	61679	62037	103394	62336	317166	62687	96194	51003	460	127972	108130	Phytochemical	0.4	1.25	0.05
18	C17 H29 O8 N1 S1	408.16867	408.1692	-0.19320633	408.16858	3118	3939	0	5730	0	2166	1256	4622	0	0	1569	1390	6706	0	1624	4147	2801	5742	2387	0	2619	0	0	1909	2925	0	0	0	27563	2728	6019	7544	3497	0	3325	7357	1934	1981	2264	1783	0	0	0	0	0	0	1169	0	6721	2571	4729	0	2234	0	0	2809	1158	2439	0	0	2804	2303	3955	0	2164	3521	2197	1719	0	2182	2970	5489	2905	1850	3063	0	0	1528	2377	1478	2771	1517	1747	0	1546	2009	0	2413	3465	0	4135	2361	5186	1440	2754	0	2470	5728	0	1682	1920	0	0	2134	0	6475	1841	0	2285	0	Organosulfur	0.47058824	1.7058823	0.05882353
2	C19 H25 O7 N3	408.1765	408.17725	-0.17318137	408.17645	16336	15814	17560	15909	7417	0	14948	19867	10316	10354	9015	17773	11349	3743	17254	6750	25681	10929	12755	12108	18834	22876	17454	15993	10070	2327	3362	15901	21940	12269	20221	14090	23881	15321	16973	15515	18946	14051	27500	14713	18878	9511	0	0	0	11061	14403	0	16447	13712	15986	18441	10421	0	13967	5194	5975	19858	10707	15100	8544	9767	12113	13673	5891	13141	11749	35454	4376	7407	7839	18178	16358	13233	3517	16255	0	13985	19753	24550	14825	8103	11753	5713	7052	8140	21177	13525	11793	44917	29333	25020	38564	17684	5504	0	16174	16808	5783	6564	6217	13787	14039	15171	8744	21136	7239	0	15810	13457	Peptide	0.36842105	1.3157895	0.15789473
4	C19 H25 O7 N3	408.1765	408.17722	-0.181476	408.17645	25651	29228	26310	26115	9899	13037	14103	29813	12355	21562	14608	16036	15826	8708	24034	28305	31061	20597	21450	23421	23234	40503	22179	31452	17810	6282	19527	20436	22281	20984	22804	22997	28071	19937	32290	23507	29007	19729	43478	23363	31654	14589	0	0	0	29259	33172	0	28753	25103	24743	24963	12225	0	21825	9843	9184	24555	24140	23610	26882	18685	18639	15849	8417	17173	14291	35468	8284	10516	10902	22739	19003	23035	10686	17834	0	17770	22744	47429	20744	17977	18513	12820	13191	12054	19257	14455	13935	40374	165703	89716	54714	26849	27983	0	24883	31047	11755	9978	11775	25758	16839	34866	18049	25680	10980	0	17907	20951	Peptide	0.36842105	1.3157895	0.15789473
12	C19 H25 O7 N3	408.1765	408.1769	-0.26845008	408.17642	55995	51217	57327	45147	19495	0	55711	89071	22840	43961	27071	0	18613	9071	0	57920	58471	36829	41393	0	48989	93812	60284	72309	0	8239	35816	22358	71597	0	63681	72161	0	66523	63733	0	75806	0	60269	65455	59274	25645	0	0	0	0	51468	0	0	0	50993	50012	30673	0	32139	9293	0	70792	82956	59284	68694	40472	23102	19320	0	26840	33017	70044	21357	29677	21273	0	0	0	37951	56032	0	0	0	36713	41025	0	0	35917	12663	0	0	30354	31485	102125	76939	93776	0	45728	46661	0	49207	65813	14393	12712	9664	64356	37596	74863	36329	75516	18115	0	64529	20313	Peptide	0.36842105	1.3157895	0.15789473
20	C22 H26 O5 N1 Na1	408.17813	408.17862	-0.17676057	408.17807	368107	368486	365412	326310	293756	284078	184455	359026	356546	806449	295628	195003	457066	191902	318652	294562	158880	463946	466154	735506	711458	393701	295248	363952	282044	507090	157711	299856	325467	271764	305263	322701	318174	306584	817331	295036	397630	246096	166762	495440	260802	200012	8130	2266	1214	359902	238544	0	334794	292878	337195	363764	262796	0	428892	257414	162710	330936	348304	149112	302979	305264	452810	326298	146848	360490	227087	190209	437962	883501	587998	328450	333647	346243	175382	296198	0	259738	307338	171244	254588	208360	220176	280738	280875	183416	255626	173326	234497	202760	344102	376794	450741	209286	260746	0	360776	380071	225810	216842	231604	316268	221812	370621	222768	278652	222900	2768	208004	477702	Phytochemical	0.22727273	1.1818181	0.045454547
4	C16 H29 O7 N3 S1	408.1799	408.18033	-0.3468333	408.17975	994	1139	1128	1010	0	2055	0	0	0	0	0	0	0	0	0	0	0	321	0	0	0	0	0	0	282	273	0	20274	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1805	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	93558	0	0	0	0	0	0	0	0	0	0	150391	54658	702	4972	0	0	1508	1782	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4375	1.8125	0.1875
2	C16 H29 O7 N3 S1	408.1799	408.1805	-0.27154833	408.17978	2828	2040	1996	1451	0	0	0	0	0	0	4679	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	60582	0	0	0	0	1490	0	0	481	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3340	2479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	473	0	0	0	0	703	0	0	0	0	0	0	474548	0	0	0	0	0	0	0	0	0	0	160248	64486	0	24130	0	0	2298	2720	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4375	1.8125	0.1875
22	C24 H25 O5 N1	408.18054	408.18097	-0.17760034	408.18048	5522	3745	4790	4958	5925	1581	0	3448	2532	8240	16899	1063	2275	0	1886	4236	3586	0	3101	14426	12417	3462	1660	3079	3014	49126	1287	22016	1794	3379	3503	0	2420	2272	8499	2738	4991	1461	4167	12833	22028	1457	0	0	0	8261	11453	0	2167	2644	4708	4830	0	0	2156	0	2830	2767	1039	5023	5236	9905	0	1051	1627	2333	4178	4489	41001	34686	49446	3563	3169	1534	2455	2886	0	2365	4923	10967	3758	5569	2638	10845	4086	0	5226	0	2924	10408	3415	6028	5376	4999	5962	0	3226	3785	2278	1398	3063	3014	1280	6450	4984	6973	2093	0	1962	1933	Phytochemical	0.20833333	1.0416666	0.041666668
24	C24 H25 O5 N1	408.18054	408.18097	-0.21318491	408.18045	1944	2008	2998	1481	3018	1136	0	3557	0	6763	11454	978	0	1868	1476	1403	2470	0	0	5160	5941	0	1650	2894	1514	24869	1226	16644	3925	1656	1325	3164	0	2419	5118	1510	1372	1134	2016	9276	18640	0	0	0	0	0	5568	0	1154	2072	2639	2139	0	0	0	1119	1238	3105	1276	2100	1293	5797	0	1402	0	2546	4261	2477	25812	16879	25138	2448	1230	1291	1943	1231	0	1355	1389	7389	2371	5642	2438	9952	2036	0	0	2091	1660	4018	3852	2138	3257	5755	3352	0	2937	1526	1133	0	3289	2489	0	2870	3243	4655	989	0	1730	0	Phytochemical	0.20833333	1.0416666	0.041666668
20	C24 H25 O5 N1	408.18054	408.1809	-0.23857263	408.18045	5124	6034	3857	4606	3599	2679	0	0	3098	6729	15099	2146	1874	2273	0	6573	3726	0	2826	8992	14124	8558	1754	3930	2978	38467	2136	16159	0	2472	2951	1441	2705	0	4225	1596	1604	1145	2103	15732	16819	1889	0	0	0	4692	7509	0	1909	0	3999	3145	2328	0	0	0	965	4315	1464	3587	5243	7483	0	1588	1588	1707	3117	3231	34140	29719	47131	1357	2035	1339	2950	2827	0	1374	3443	6654	1519	6429	1965	12381	1404	0	4691	2985	2736	11447	6189	5226	13893	4685	5243	0	4613	3559	3459	1412	0	3834	1625	4822	4322	2389	0	0	1439	0	Phytochemical	0.20833333	1.0416666	0.041666668
14	C17 H29 O10 N1	408.18643	408.187	-0.27036318	408.1863	181616	70712	139352	60264	29142	44609	57756	255868	41026	85060	31556	100897	25180	8359	71299	80372	54717	47242	58338	219512	196988	122536	142685	129009	161485	52248	46484	72024	104340	77093	173176	98656	107010	169992	94796	86909	216334	128671	45992	127760	89560	44592	0	0	0	201749	67892	0	200728	164103	63536	151112	40728	0	42367	17833	29536	203056	100148	57500	0	75796	37750	38384	30008	48571	45307	62680	0	202424	104344	89008	67232	90975	44296	166169	0	54640	156852	65080	111442	55768	160992	136217	15615	13122	59073	52948	51393	93036	133336	113983	125328	0	92984	0	86620	66132	26062	25717	12124	79256	113096	255528	0	87181	43653	0	149830	42667	Lipid	0.5882353	1.7058823	0.05882353
10	C17 H29 O10 N1	408.18643	408.18692	-0.27728152	408.1863	78091	65748	73950	57660	28671	25960	59866	93169	42505	113396	51416	43826	45280	0	55364	78803	42216	45883	53392	108460	129880	108444	53598	82304	61383	45832	58183	46052	75328	69439	66554	65548	110380	71171	150520	88407	107073	45895	60701	104596	75388	36271	0	0	0	75804	55960	0	79151	74644	77458	67680	30088	0	52048	8069	20004	82953	56600	51404	0	61680	6795	6948	18140	38419	31672	71544	41256	87156	79560	81333	64563	71201	43955	76240	0	50649	50978	35272	50584	43272	58316	67220	24506	34613	44681	42003	34322	82872	83800	86772	150675	53536	111136	0	83382	80215	25716	19373	23337	80090	43214	104144	0	77141	28409	0	48039	42298	Lipid	0.5882353	1.7058823	0.05882353
12	C17 H29 O10 N1	408.18643	408.18686	-0.3319739	408.18628	62660	59692	71016	74860	27232	42424	73781	103754	40748	213904	55368	30928	16186	15573	86378	82060	69519	46840	53675	135916	106428	128324	79002	101248	86741	38896	51040	0	102289	77385	74671	83876	99664	76024	133536	70800	94975	60146	67580	139500	93364	41694	0	0	0	91328	77024	0	107417	67809	88632	62664	36994	0	30495	22159	31879	82416	74828	57440	64560	69268	40554	33598	28120	36971	47408	84784	0	122672	70001	103753	73818	70592	48956	63804	0	83112	66801	0	44742	62012	140307	135624	12156	10272	63386	45502	43498	138240	122520	109024	159134	88936	90276	0	65144	77528	6242	6892	22721	71976	58101	76416	0	101814	24354	0	66377	47941	Lipid	0.5882353	1.7058823	0.05882353
16	C17 H29 O10 N1	408.18643	408.18677	-0.3197468	408.18628	55130	55268	56494	54989	6625	36725	92157	68408	46630	115840	42056	85212	39769	26733	63511	49648	44917	15361	17231	189943	74168	78032	122517	158991	57423	22208	90893	46860	141647	109603	117932	39992	190529	53360	65628	63278	193131	102789	111080	211022	132552	34421	0	0	0	128456	45436	0	188870	173142	58106	110968	45294	0	48760	29549	24160	67473	54964	41672	0	85680	37332	39830	18050	49851	42399	92896	22956	75080	46656	129128	62505	126650	59284	52884	0	93282	29536	23712	32282	31388	140907	35336	12361	29025	47033	35150	47204	0	120636	248173	0	35660	55112	0	135200	54319	6917	20279	19558	72004	99446	175488	29164	67388	12839	0	120927	41758	Lipid	0.5882353	1.7058823	0.05882353
28	C21 H29 O7 N1	408.2017	408.2021	-0.21766667	408.2016	6271	6604	6422	6806	8712	4641	3221	6422	5657	10666	5134	3138	11216	3405	3336	6727	3172	7753	10252	11189	14315	3866	4578	8363	0	16631	2450	7342	4944	6385	5279	5074	7446	5206	10283	8558	6755	2797	3802	8129	6605	3673	0	0	0	6000	4232	0	6572	5631	6696	5833	6987	0	7209	4583	3136	8216	4016	3544	6041	4275	8195	6074	1928	6699	6460	6036	13078	18640	26986	7062	6860	5543	4593	4276	0	2788	4235	4423	3464	2430	4187	4519	6874	2701	5716	4060	4353	7304	5762	8556	10512	1981	6857	0	4975	6443	3958	6229	5898	5888	3569	4042	3003	5224	3286	0	4431	10748	Lipid	0.33333334	1.3809524	0.04761905
10	C21 H29 O7 N1	408.2017	408.20218	-0.21894045	408.2016	92174	84245	79726	69218	33130	35715	58053	100360	37173	132912	63022	53883	55546	23270	57605	89554	67362	54884	65028	146645	139940	116201	61022	97087	59731	76892	50653	52827	84358	86520	70809	83840	99582	78559	157090	81702	101061	54515	71058	110926	82281	38097	1032	0	397	82529	69087	0	92562	79540	82682	78456	34432	0	49901	29503	21205	93138	36994	50935	98267	54329	43487	33946	21721	53075	41263	86237	62300	122049	101406	80920	78388	82090	61819	77708	0	52439	60082	49759	55481	40741	51634	55043	33890	25165	54341	32263	39540	90633	183880	177792	122885	59739	98194	590	78648	83369	22766	27663	30432	90238	50412	108338	36536	80045	25889	0	52715	65842	Lipid	0.33333334	1.3809524	0.04761905
24	C21 H29 O7 N1	408.2017	408.2021	-0.20677432	408.2016	63129	47044	55114	50550	61371	42220	19285	43950	47019	104478	53906	28465	85069	36102	32766	50880	30459	66564	80801	111291	107300	54157	38316	55100	26388	108624	18093	46091	41871	33334	33064	0	43483	39598	114205	44536	53055	24331	27823	76767	63506	29935	1863	0	0	54912	47669	0	42399	32372	53827	51738	42817	0	58720	46464	23295	46391	30465	25222	50327	53627	66871	46384	16745	70742	37121	34575	109770	154535	141485	45882	41220	36445	32855	30115	0	29936	35366	20279	36994	28275	23496	42746	58524	26756	42005	0	32375	39304	49269	52386	64494	35680	59020	0	56270	53882	36425	47812	54343	50207	25115	50020	29188	40511	38880	0	24945	77272	Lipid	0.33333334	1.3809524	0.04761905
12	C21 H29 O7 N1	408.2017	408.2022	-0.19619942	408.2016	96454	100700	103425	93454	47829	46830	86821	144833	56200	126506	79993	72075	56750	28769	79669	124003	118421	62758	87875	199071	187067	145386	92536	124970	83313	135785	70339	76427	117056	97662	103343	106271	131462	95192	174407	111544	109844	80912	120931	136810	130714	54529	1548	414	328	130479	112038	410	117604	107727	95095	91834	54876	461	70700	44754	38531	130706	92335	85504	95954	78939	63868	55416	31574	71961	54967	117901	133514	179957	171024	94536	96330	113071	86545	92505	263	89017	84313	72690	79618	67552	73234	77887	55779	39181	92006	43032	62379	154326	101143	137958	159356	81698	104105	788	114134	117675	46711	41701	51907	113322	69573	115388	67853	105885	43426	0	87753	74895	Lipid	0.33333334	1.3809524	0.04761905
14	C19 H26 O2 N7 Na1	408.21185	408.212	-0.7828041	408.21152	109286	109824	120244	109610	0	39844	14038	76606	42460	61404	71534	61756	5432	26460	55194	63244	77282	5268	53626	72042	58432	77346	56510	81904	22092	62506	74214	258028	63538	74581	60562	0	75290	62178	61016	54244	70162	61112	102318	44566	50734	44018	0	0	0	58318	45682	0	75364	61950	117042	126296	43022	496	45782	2084	35622	87356	53188	56288	0	26486	44540	41362	31560	49342	45274	130328	51454	65660	76750	26668	85786	113512	5746	80704	0	59340	89616	463272	58634	43068	61554	42984	64798	31086	82718	33538	8530	159960	6922210	1637312	121684	141352	115200	0	121036	66406	26414	51134	50846	49282	35408	70938	0	69901	33024	0	76708	36940	Unclassified	0.10526316	1.3684211	0.36842105
8	C20 H29 O6 N3	408.21292	408.21347	-0.23891568	408.21283	47477	48765	36250	45880	6485	27148	11209	22068	3810	17894	19073	11519	6656	4605	15037	28881	14121	9218	9708	20780	20950	26947	15769	26007	19331	6139	11995	168943	24588	15887	21216	21428	30958	24281	19654	21970	29135	12817	19393	22847	14463	11538	0	0	0	16634	14193	0	26682	20032	41938	46875	8610	0	8369	2841	4955	24840	2972	4477	21419	11016	4889	5848	4857	7298	8344	22711	4816	13132	8149	20166	19859	17806	15385	19696	0	12743	12529	379766	12280	6486	6337	12640	4181	5514	13828	10870	13233	29459	2486634	1139251	41815	80105	40736	0	52672	40003	3798	2079	3035	22850	10711	26151	0	19977	5738	0	15110	6747	Peptide	0.3	1.45	0.15
6	C20 H29 O6 N3	408.21292	408.2135	-0.24966745	408.2128	20986	21717	20377	20265	4905	17347	13675	21065	7340	15393	9677	9683	5585	2625	18080	24618	12358	6909	10475	19322	14558	20665	12333	27374	17703	4063	10295	36384	20808	14702	20270	22592	24355	16215	21408	18666	24464	14598	15557	15979	13190	9092	0	0	0	17641	16887	0	23142	17093	19232	17380	7470	0	7698	3094	4795	25174	6118	4005	21875	8792	6242	7615	3960	7460	9891	16281	2460	7945	7410	17421	14634	19330	11045	13304	0	11277	14181	511307	8903	5387	7945	10137	3465	5606	14455	8685	10377	28557	245710	121782	44226	29273	22059	0	18607	17390	3756	1690	2427	22512	11929	24522	0	20622	4306	0	14813	8027	Peptide	0.3	1.45	0.15
4	C20 H29 O6 N3	408.21292	408.2136	-0.20711955	408.21283	11480	9151	10698	8173	2734	6138	5864	13931	3808	6072	2670	5654	3082	2213	10148	11332	9464	5737	6001	9458	8435	12318	8696	13740	11147	2696	6517	0	12375	9916	10025	10902	13220	9655	10507	11254	11583	8672	10272	8928	6009	4810	0	0	0	9084	8819	0	9789	10133	8391	7885	4704	0	6137	2219	3045	12486	5391	2436	13284	5118	4523	5174	2117	5037	4813	10862	2587	4045	3342	9438	8780	9553	7313	8044	0	8254	8844	5727	6155	5063	5920	5433	1752	3859	10440	3953	5787	13966	20269	15405	23240	5899	9347	0	6695	9404	2510	940	2138	9951	5608	13620	4791	11485	2825	0	7118	4425	Peptide	0.3	1.45	0.15
10	C20 H29 O6 N3	408.21292	408.2134	-0.24102394	408.2128	66772	64460	59337	59128	5372	22718	9958	22520	5550	24021	39435	9848	5406	3077	15205	20449	8637	7180	9051	16841	14731	22499	9368	19163	16920	7339	11171	247935	15626	16635	15431	19568	27266	18521	16724	16809	25439	12225	14201	14502	9035	13289	0	0	0	13572	12650	0	19250	13395	63205	58872	5747	0	4699	1154	3148	20042	4198	5588	17986	9427	5014	4500	3495	7312	4791	15526	0	12437	9819	16771	15344	17535	8998	15342	0	11672	10241	1165329	8657	5866	8375	10128	3710	4067	15014	8831	10213	23761	4454805	1591223	29343	136487	48351	0	63889	63012	2692	1253	1832	16671	11962	19381	0	22086	3685	0	11151	4771	Peptide	0.3	1.45	0.15
20	C20 H29 O6 N3	408.21292	408.21332	-0.34207594	408.21277	0	0	0	1929	2120	0	1838	3098	0	0	1528	1301	0	0	0	2358	2537	0	0	0	0	0	0	3849	1790	0	1522	19614	0	0	0	0	2944	2047	0	0	2692	0	1303	2158	0	2484	0	0	0	0	0	0	0	2100	0	1596	0	0	0	0	0	2872	2268	2153	0	0	2533	1758	0	2142	0	1955	1574	0	1933	1228	4192	2711	0	0	0	0	0	5242	0	0	0	0	0	0	3827	1076	0	3658	24599	14627	5272	1635	0	0	1903	3322	0	1330	1786	0	0	1422	2076	0	0	0	1699	3418	Peptide	0.3	1.45	0.15
2	C18 H33 O9 N1	408.2228	408.22372	0.12564114	408.22287	2392	0	0	1274	880	0	806	1516	771	819	0	797	3074	1329	1310	667	874	675	729	0	0	0	1298	1233	0	0	0	1976	1382	1019	0	1681	1596	1335	668	1217	974	1008	1204	737	708	0	0	0	0	0	409	0	1544	1097	1061	0	1214	0	1320	410	461	0	0	0	717	415	874	924	0	2394	567	1634	0	387	0	1126	1579	1954	635	899	0	1043	0	23805	0	0	0	0	916	570	1788	649	433	3041	3050	2128	3185	16342	1768	0	1242	1861	0	0	735	1382	634	518	0	0	1013	0	559	2013	Lipid	0.5	1.8333334	0.055555556
20	C18 H33 O9 N1	408.2228	408.22305	-0.34179562	408.22266	0	2319	0	1944	0	0	1330	0	0	0	0	931	0	0	0	0	1827	0	2834	0	0	1428	0	0	0	0	2536	205807	0	0	2042	0	2491	1454	0	1591	0	0	0	0	1348	0	566	0	0	0	0	0	1441	1334	0	0	1280	1438	0	0	0	1719	1397	1428	1623	0	0	0	2465	0	1241	0	0	0	10071	0	1599	1310	0	0	611	0	0	1870	0	0	0	0	6643	2723	2442	0	1246	2715	4292	7309	5272	1863	0	0	0	2045	2843	0	6520	2412	0	1672	1728	0	6994	0	0	0	Lipid	0.5	1.8333334	0.055555556
28	C22 H33 O6 N1	408.23807	408.23846	-0.20019507	408.23798	4093	3482	4235	3784	5215	1493	2307	4695	3431	5021	3841	1703	3883	1791	0	4228	4868	3067	5903	4247	5849	4280	0	2804	0	10060	2098	4612	2502	2747	2695	4379	4091	3651	5168	3425	4575	1946	5519	4261	6206	2243	0	0	0	3854	4348	0	3410	3549	4794	3466	3253	0	3462	2172	922	3695	1284	2797	4396	2181	2656	1633	1069	3690	4351	4836	9999	14058	20933	2435	2840	2648	3023	3532	0	2215	2841	3887	1197	2936	1905	2523	2247	0	6841	2100	1089	7654	4434	7398	5043	2502	3487	0	3664	2338	1175	3210	3814	4222	1890	2232	3193	3971	2732	0	3165	3696	Lipid	0.27272728	1.5	0.045454547
6	C22 H33 O6 N1	408.23807	408.23868	-0.21426062	408.23798	24390	21969	19521	20191	2561	4479	17753	40570	2991	19712	11358	18586	3643	2037	23268	35516	25599	5722	8861	30824	25498	22729	18209	31026	20627	6793	19390	10861	29772	33640	32104	37772	36985	30568	25790	36864	32850	18294	30937	21301	10675	6607	0	0	0	19261	16330	0	43189	33992	20017	20926	5395	0	6072	1741	5108	32593	1260	1716	33979	11570	4376	3265	2778	4746	10781	38830	6786	14552	10585	27730	29186	41343	24136	28344	0	20454	17097	12293	13607	4394	7188	13380	1918	3191	18843	7448	9872	41191	31596	18433	39083	15635	26138	0	21678	21307	1860	2158	1939	28373	15768	34446	9179	29789	3318	0	18962	3194	Lipid	0.27272728	1.5	0.045454547
8	C22 H33 O6 N1	408.23807	408.23862	-0.21980932	408.23798	29998	30075	28376	28875	6532	11777	25445	52905	6029	38168	14817	24996	6287	4037	27624	35143	29070	10143	12582	54684	37211	36381	26268	40949	28926	14760	23107	16450	45325	39982	40895	46476	45071	35802	46574	40964	49010	20039	29733	34645	12531	11608	0	0	0	24719	22427	0	50294	44672	32235	31397	8948	0	7438	4323	7352	39418	1101	2479	40426	17167	5910	8248	5567	10056	14501	37679	10898	26511	19240	43773	38960	42763	33269	32709	0	30283	19226	19714	19026	4255	5954	19542	3331	6638	24452	12918	15593	58340	47418	24394	65769	20138	32439	0	31529	28556	2991	3049	3960	40080	20367	51943	0	38573	2979	0	24667	6749	Lipid	0.27272728	1.5	0.045454547
4	C22 H33 O6 N1	408.23807	408.23877	-0.1481765	408.238	16914	16880	15364	17874	1261	1435	7762	23335	484	7220	2271	7606	1221	0	47494	34536	17852	1865	2402	9723	10640	25187	10929	15126	142681	3665	8937	3693	15238	10429	11799	13417	11045	10169	8126	14362	12641	39722	18130	8097	4915	3556	0	0	0	8167	7214	0	17495	14788	15830	13881	1510	0	1046	419	1456	26271	1227	966	27174	5636	474	1189	1372	787	2504	23604	4398	5158	3611	12855	11723	15799	14258	12098	0	9904	8193	5142	7096	3076	3155	6618	1116	2064	7325	2440	4445	280162	14519	7962	146374	4975	10700	0	17265	18785	893	683	962	12541	6870	13248	3907	164845	956	0	143339	1560	Lipid	0.27272728	1.5	0.045454547
26	C22 H33 O6 N1	408.23807	408.2385	-0.19384284	408.23798	29011	26256	30877	26968	41230	22803	10153	24828	29910	35860	29670	15026	58405	25122	19189	27194	22924	40536	52190	53121	56241	29123	18465	33422	17745	51816	8510	29228	34374	23547	21658	25659	31593	24732	47021	28571	31451	22972	20930	36429	33530	22969	0	0	0	30562	23374	0	27451	21103	29223	25779	33301	0	43732	60791	16497	26138	25032	12931	31578	21297	36918	23774	16206	48313	28644	20812	55943	74450	79333	26618	24785	23857	17849	25047	0	16157	24923	22863	18823	16477	19892	28452	37913	18674	28987	19955	23109	28262	32830	39303	45354	21212	28030	0	25200	34208	23437	40543	46412	34611	15095	31250	20158	24693	26883	0	17938	35292	Lipid	0.27272728	1.5	0.045454547
14	C22 H33 O6 N1	408.23807	408.23853	-0.27133545	408.23795	26440	22577	20353	21864	9888	12970	20797	36844	8116	29029	17669	20047	9996	7810	23491	40440	41885	6653	17851	37243	37811	29802	24283	35467	23735	27680	23607	13681	33170	31874	25231	24836	41724	27340	36124	33250	29947	18676	37110	24729	24923	16199	0	0	0	27397	17531	0	37723	27579	30370	23508	9469	306	11483	10124	8404	43583	0	14441	34019	14135	11119	9589	7290	10841	15087	38758	18260	37077	33020	27433	23910	30269	37641	30785	0	18761	28785	21604	25117	9550	11446	14167	14244	7619	25205	10272	13678	56414	50893	19029	58827	18864	29675	0	25174	26425	8808	15232	19183	40672	16534	39844	0	31240	13548	0	19745	8559	Lipid	0.27272728	1.5	0.045454547
12	C22 H33 O6 N1	408.23807	408.23856	-0.22913824	408.23798	21539	20396	27951	20771	8853	11219	32737	41148	7682	28947	14682	21455	8450	5488	19874	27329	21892	8293	14319	44412	45781	29453	17487	29270	23308	22277	21683	19374	36974	32519	34061	36162	42257	27630	49642	32724	33289	20081	27811	32100	19844	10476	0	0	0	21793	14001	0	46675	23747	27741	18333	11579	0	7737	5774	9096	31494	0	6835	30273	10532	7533	6827	6142	8091	14546	36350	0	31782	26038	31905	29512	34672	25478	28962	0	28417	13037	0	16931	6391	4234	19431	6087	5627	22491	8851	14955	39122	42138	22108	39065	14221	19026	0	25425	24905	6160	5849	6641	26819	27649	33482	0	28544	7857	0	18789	5377	Lipid	0.27272728	1.5	0.045454547
8	C21 H33 O5 N3	408.2493	408.2498	-0.13584709	408.24924	3695	2241	2271	2758	0	1895	0	1018	0	0	0	886	0	0	994	2969	1306	0	0	0	0	0	716	0	1650	0	1027	19597	1007	1147	966	1844	2008	1448	0	1553	2177	0	0	0	0	945	0	0	0	0	0	0	2371	1642	2511	3332	0	0	0	0	0	2811	0	0	0	0	0	0	0	0	0	1667	0	0	0	815	1075	0	876	747	0	634	1059	132417	0	0	0	995	0	0	822	844	0	2876	101736	33682	3875	10413	0	0	1266	1674	0	0	0	0	0	0	0	1391	0	0	947	0	Peptide	0.23809524	1.5714285	0.14285715
10	C21 H33 O5 N3	408.2493	408.2497	-0.23516683	408.2492	12602	12087	8294	7427	962	8626	0	2603	0	1733	7086	1748	0	1457	1238	3345	1342	1337	0	0	0	0	1314	3044	1854	0	1684	115609	1052	1098	2531	1356	3132	1318	0	0	2818	760	1336	0	0	2186	0	0	0	0	0	0	2834	2153	10827	10136	1082	0	0	0	0	3474	0	0	0	0	0	0	0	0	0	0	0	0	1548	1580	0	0	1970	1261	0	0	0	454827	0	0	0	0	0	0	0	0	1071	3706	783015	358831	3223	35576	6880	0	14073	9565	0	0	0	1960	1724	0	0	3384	0	0	1189	0	Peptide	0.23809524	1.5714285	0.14285715
12	C21 H33 O5 N3	408.2493	408.24976	-0.100397155	408.24927	3809	3351	7982	4258	0	0	0	0	0	0	1962	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18716	0	1430	0	1679	0	0	0	1340	0	1464	0	2240	0	0	0	0	0	0	0	0	1311	1279	3547	3556	867	0	0	0	0	1566	0	0	0	0	0	0	0	0	0	0	0	0	0	1663	1707	1621	0	0	0	0	3601	46621	0	0	0	0	0	0	3227	0	1058	0	406056	259088	3386	7772	1740	0	2777	3926	0	0	0	0	0	0	0	1426	0	0	1121	0	Peptide	0.23809524	1.5714285	0.14285715
14	C21 H33 O5 N3	408.2493	408.24936	-0.32392094	408.24918	0	1716	0	0	0	0	0	0	0	0	0	0	0	0	0	2254	0	0	0	0	1469	0	0	0	0	0	0	0	0	1315	0	0	1433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1293	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42018	11396	2224	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1160	0	Peptide	0.23809524	1.5714285	0.14285715
2	C19 H37 O8 N1	408.2592	408.2601	0.07369386	408.25922	662	0	669	736	0	0	0	682	0	0	0	0	47300	0	524	651	0	0	0	0	0	0	0	0	0	0	0	0	572	514	0	534	752	0	0	482	0	0	0	0	0	0	0	0	0	0	0	0	817	407	0	635	0	0	0	0	0	0	0	0	514	0	0	0	0	72320	0	674	0	0	0	0	700	483	0	0	0	1035	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	771	0	0	0	625	421	0	0	0	0	0	0	663	Lipid	0.42105263	1.9473684	0.05263158
4	C19 H37 O8 N1	408.2592	408.26047	0.2671963	408.2593	0	0	0	0	0	378	0	0	0	0	0	0	40372	0	0	0	0	344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29589	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	525	Lipid	0.42105263	1.9473684	0.05263158
20	C23 H37 O5 N1	408.27444	408.27484	-0.22463037	408.27435	5293	4078	6113	4494	3206	3506	5317	5530	4065	4066	3761	4781	3949	3025	2262	9257	16342	3284	4266	3761	6151	3733	2592	4488	4500	7395	7351	6046	5643	5063	4530	7918	7011	4750	4943	7821	7511	4778	13085	2135	4966	4962	0	0	0	0	2672	0	8175	4212	5368	3745	3886	0	2203	6911	3132	4183	1060	4355	9022	1064	2430	0	1265	2960	4156	14096	4249	6160	5136	3278	4656	2843	8637	3568	0	3849	4697	4671	2828	1526	3783	0	4686	2403	8017	3466	1523	20994	15477	2616	7659	3449	4567	0	6680	6759	2378	6416	5208	9640	3128	3448	1390	4007	3946	0	5056	2052	Lipid	0.2173913	1.6086956	0.04347826
14	C23 H37 O5 N1	408.27444	408.27487	-0.13708375	408.27438	4212	4981	4283	0	0	1234	5811	10829	0	2083	2482	9181	0	0	3053	4888	2888	0	0	3207	1644	0	2434	4176	4511	1324	22401	0	7311	13892	10651	12989	18200	7988	2752	5012	21692	1984	2396	1243	0	1142	0	0	0	0	0	0	10121	7146	2823	3494	0	0	0	0	888	7530	0	0	0	0	0	0	1899	0	1180	6532	0	0	0	8005	9151	10808	6410	9550	0	9278	0	0	0	0	0	1325	0	0	14898	0	3125	16514	16412	0	6800	0	2376	0	2112	0	0	0	0	17006	10135	2381	0	2825	0	0	2983	0	Lipid	0.2173913	1.6086956	0.04347826
12	C23 H37 O5 N1	408.27444	408.27484	-0.21495219	408.27435	3452	3689	7541	3108	0	1610	10690	9939	0	0	0	12240	0	771	4683	6395	14804	0	0	2739	3942	0	4113	2892	4709	0	38450	0	8165	13111	11129	7913	8276	7190	3868	6232	11516	3006	11538	3097	0	0	0	0	0	0	0	0	14861	10635	4828	4509	0	0	0	0	1145	11770	0	0	0	0	0	0	1041	0	1058	20705	0	3586	1570	9461	5188	10046	5772	8237	0	12678	3187	0	1159	0	0	1399	0	0	31600	1241	1933	33008	14599	0	10367	0	4612	0	2745	4216	0	0	0	10372	9113	5265	0	4167	0	0	3153	0	Lipid	0.2173913	1.6086956	0.04347826
10	C23 H37 O5 N1	408.27444	408.27493	-0.18165687	408.27438	4923	4922	5119	5446	0	2460	6273	10950	0	2686	2670	5353	0	0	2976	10115	10699	0	0	4695	1721	2209	2183	4853	6907	0	6988	0	8554	11234	6760	8459	29456	5725	0	6475	35181	4487	12373	1645	0	1246	0	0	0	0	2160	0	10524	8970	4071	7132	1023	0	0	0	594	10751	0	0	0	0	0	0	691	0	2249	24855	0	1962	3045	8722	4657	9582	7100	6267	0	6323	4087	0	1720	0	0	0	0	0	12452	0	1026	20937	12853	2053	16109	2391	4188	0	3862	6066	0	0	0	33558	4932	3222	0	5137	0	0	4410	0	Lipid	0.2173913	1.6086956	0.04347826
22	C23 H37 O5 N1	408.27444	408.2748	-0.26334858	408.27435	20368	14520	17543	16515	21507	12090	15616	14856	9635	10096	17334	12777	10014	10565	11592	30861	28933	15469	22514	19263	19630	14688	9585	12148	18853	36048	17396	21168	19632	17913	16948	19888	23776	17721	12044	23925	23077	9498	29662	15807	20485	14059	0	0	0	14127	12668	0	22189	16288	16318	17735	16027	0	18310	15771	9068	24231	5202	15987	22847	5452	13634	12409	9880	16671	18780	32172	29655	22435	36532	11988	14506	15700	26042	17975	0	6820	19654	20242	8567	7566	12529	11853	19347	13640	28006	15075	13749	40706	31382	20827	23104	14605	15654	0	11219	24139	13483	15790	17532	28123	9160	17352	8363	17378	18127	0	17332	13612	Lipid	0.2173913	1.6086956	0.04347826
6	C20 H41 O7 N1	408.2956	408.29626	-0.14539629	408.29553	0	0	0	0	0	0	0	0	0	2613	2244	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18096	0	0	0	0	0	0	917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32006	0	0	0	0	0	0	0	0	0	0	5837	0	0	739	2084	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.35	2.05	0.05
18	C24 H41 O4 N1	408.31082	408.31128	-0.30136067	408.3107	0	0	0	0	0	0	0	2189	0	0	0	0	0	0	0	6362	0	0	0	0	0	0	0	0	2959	0	1315	0	0	7487	3471	0	0	0	0	2784	0	0	0	0	0	0	0	0	0	0	0	0	2159	1281	0	0	0	0	0	0	0	3204	0	0	4448	0	0	0	0	0	0	2428	0	0	0	0	1609	2270	2552	0	0	0	0	0	0	0	0	0	0	0	8325	0	0	20138	3429	0	0	0	0	0	0	0	0	0	0	1742	0	0	0	2353	0	0	1222	0	Lipid	0.16666667	1.7083334	0.041666668
24	C24 H41 O4 N1	408.31082	408.31107	-0.31303	408.3107	0	0	1154	0	0	0	2345	2291	0	0	0	0	0	0	0	0	2823	0	0	0	0	0	0	0	0	0	4129	0	0	3478	0	0	0	0	0	1449	0	0	3917	0	0	0	0	0	0	0	0	0	0	3057	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1409	4174	0	0	0	1040	4159	2117	1573	4256	0	1082	0	0	806	0	0	0	0	0	10493	0	0	51111	1834	0	0	0	0	0	0	0	0	0	0	1380	0	0	0	0	0	0	2890	0	Lipid	0.16666667	1.7083334	0.041666668
14	C24 H41 O4 N1	408.31082	408.31128	-0.053292166	408.31082	5186	4916	4727	1939	0	0	8030	11159	0	0	1446	1143	0	0	1037	5215	0	0	0	0	0	0	0	3071	2990	0	10246	0	2266	37193	10439	0	0	0	0	2333	0	0	0	0	0	0	0	0	0	0	0	0	2081	4559	1935	3097	0	0	0	0	0	2893	0	0	0	0	0	0	0	0	0	1195	0	0	0	15636	123616	460536	4495	71550	0	3383	0	0	0	0	0	0	0	0	3365	0	0	13850	5479	0	0	0	1702	0	4651	4359	0	0	0	0	2185	0	0	0	0	0	3007	0	Lipid	0.16666667	1.7083334	0.041666668
12	C24 H41 O4 N1	408.31082	408.3112	-0.08482386	408.3108	0	0	0	0	0	0	0	5422	0	0	0	0	0	0	0	7344	1718	0	0	0	0	0	0	0	5569	0	3209	0	2221	2715	11475	1743	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1769	8708	0	1929	0	0	0	0	0	4487	0	0	0	0	0	0	708	0	0	0	0	0	0	1388	0	1393	2154	1280	0	1864	1349	0	866	0	0	0	0	0	3363	0	0	25128	0	0	8532	0	0	0	0	0	0	0	0	0	2067	0	0	2085	0	0	3937	0	Lipid	0.16666667	1.7083334	0.041666668
28	C21 H45 O6 N1	408.33197	408.33206	-0.24785787	408.33185	1788	1412	2381	2233	1660	1505	1118	0	1651	0	2425	1046	0	1185	0	0	0	0	0	0	0	1212	0	0	0	28822	1449	3904	0	0	1254	1447	0	0	1070	0	1455	1746	0	1529	1442	0	1639	1195	0	0	0	1612	925	0	1868	1525	1086	0	0	0	1377	0	52781	1092	0	19226	0	1143	1028	0	1401	995	55912	7407	5243	1455	0	0	0	1541	0	1261	0	0	0	1754	1176	0	0	1989	0	1541	0	0	7180	9938	0	1212	0	0	1471	2560	0	0	0	0	1068	0	102149	964	0	1536	0	1071	Lipid	0.2857143	2.142857	0.04761905
16	C17 H12 O12	409.04016	409.0407	0.005328559	409.04016	0	0	1608	2894	13153	2989	0	0	12222	0	0	0	27363	4921	1276	0	0	9692	4878	0	0	2730	2440	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1468	0	327	0	0	1405	0	492	0	0	1780	0	7373	0	8338	13817	3906	0	0	0	0	0	30087	15289	3483	19570	2925	0	0	0	0	0	0	0	0	0	0	0	1984	0	2953	0	0	0	16937	4334	0	3490	3741	0	0	0	0	6487	0	0	0	2247	7231	21138	16808	0	1255	0	0	0	9782	0	0	33604	Phytochemical	0.7058824	0.7058824	0.0
14	C17 H12 O12	409.04016	409.04083	0.024613302	409.04016	2608	1815	1638	0	12244	2452	0	0	12102	0	0	0	19477	2225	0	0	0	7011	7164	0	0	0	1691	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2754	0	0	0	0	0	0	0	0	0	0	3946	0	6505	13283	4220	0	0	0	0	0	28116	13863	1984	11775	1554	0	0	0	0	0	0	0	0	0	0	0	2548	0	1016	0	0	0	11326	0	1273	2673	1815	0	0	0	0	3747	0	0	0	0	7428	25632	19743	0	0	0	0	0	3334	0	0	22792	Phytochemical	0.7058824	0.7058824	0.0
20	C17 H12 O12	409.04016	409.04065	-0.05087627	409.04013	1654	1675	1624	1686	11243	3972	0	0	6795	0	0	1084	23566	3783	0	0	0	9649	5546	0	0	2147	1502	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1541	0	735	0	0	1663	2407	4044	0	8660	11723	2821	0	0	0	0	1019	24272	8891	2865	12129	1729	0	1461	1490	1667	0	0	0	0	0	298	0	0	2029	1881	0	0	0	15365	1134	0	1189	2278	0	3532	0	0	4008	3067	0	1587	1487	6599	13521	10497	0	0	0	0	0	6645	0	0	19584	Phytochemical	0.7058824	0.7058824	0.0
18	C17 H12 O12	409.04016	409.04077	0.16405493	409.04022	0	1902	1764	0	10935	4439	0	0	12102	2232	0	1152	21476	4426	0	0	0	8009	6489	0	0	3336	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1101	0	0	0	1243	0	0	0	0	3185	774	0	0	2879	2927	6666	0	8647	14861	3981	0	0	0	0	0	25345	13964	3118	13875	2378	0	0	0	0	0	0	0	0	0	333	0	1677	2194	2009	0	0	0	18082	2678	0	0	2761	0	0	0	0	5439	2462	0	2687	0	10248	25268	18232	0	0	0	1318	0	11321	0	0	20252	Phytochemical	0.7058824	0.7058824	0.0
28	C17 H12 O12	409.04016	409.04062	-0.001218288	409.04016	2881	2887	2472	4361	10736	3750	0	0	7410	0	0	1738	22090	5500	0	0	0	10734	9200	0	0	1430	2222	0	0	0	995	0	0	0	908	0	0	0	1452	0	887	0	0	0	1281	0	0	0	0	0	0	0	0	0	2895	3388	4892	0	12905	7117	2036	0	0	0	0	0	20596	9902	1937	11731	1624	0	0	871	0	0	0	0	0	0	0	1391	4910	0	5180	0	0	0	15480	3122	1879	1896	1768	0	0	0	0	1478	0	0	3624	2749	7020	10882	12247	0	0	0	0	0	7965	0	0	17917	Phytochemical	0.7058824	0.7058824	0.0
8	C12 H16 O10 N4 S1	409.06598	409.0665	-0.18111308	409.06592	3603	2584	2365	3524	0	761	1372	4134	1638	0	0	2072	2294	0	7185	3548	0	1000	2107	1227	0	16680	6159	9146	9841	476	658	0	1853	2578	2463	983	2308	833	1728	1214	2337	3716	0	0	1182	746	0	0	0	3672	4147	0	2634	3075	2353	2456	1782	0	7859	0	1276	3843	1558	0	4765	1203	2505	4927	0	3845	1366	0	0	0	0	2321	0	879	0	1430	0	2718	3446	0	2973	2577	806	0	0	0	3573	1073	1736	0	0	0	31042	1529	5052	0	2595	2735	0	875	0	1854	1636	2190	0	7055	0	0	3616	1864	Peptide	0.8333333	1.3333334	0.33333334
28	C18 H16 O11	409.07654	409.07697	-0.042502224	409.0765	4373	3910	5054	6167	8051	7091	2227	0	13080	5574	2268	1810	25812	5317	0	0	0	16736	10929	4853	7472	5282	2707	2370	0	0	1929	0	0	0	929	0	1500	0	5064	0	0	1587	0	2074	4360	2525	1363	0	0	3543	5905	0	842	0	4393	5428	7487	0	18631	8217	4479	1328	1146	1542	0	2682	21830	11465	3341	12730	4125	0	2437	2065	2607	0	0	0	0	0	0	1325	4093	2511	6064	3531	0	1652	12368	6800	2722	0	3069	1247	1235	3063	0	5016	7302	0	5377	5433	6918	8058	9050	0	0	0	4377	1337	10095	0	1892	20864	Phytochemical	0.6111111	0.8888889	0.0
16	C18 H16 O11	409.07654	409.07706	-0.09416532	409.0765	63757	62953	62739	58485	140472	79422	19110	18259	151531	58912	46278	27793	252919	62815	36879	21158	19932	175551	154578	55525	73131	114126	55617	24160	10340	4649	15448	19256	11282	11602	21602	18271	41738	14018	87704	9761	38508	36886	9785	40532	45470	42461	2568	0	325	45369	80877	1602	19644	13178	66950	62426	77554	451	153606	125138	54383	24815	26269	23881	22396	43862	256042	153920	42385	154061	59901	22090	26950	12353	34155	19561	14507	8071	11080	12717	760	26048	65927	74417	50089	54555	11796	12371	137005	62301	46546	51833	51045	0	19926	33679	32344	118089	76068	629	58798	52493	100404	141052	129331	27889	24367	19061	58600	35104	105622	0	18445	268713	Phytochemical	0.6111111	0.8888889	0.0
6	C18 H16 O11	409.07654	409.07724	-0.04778493	409.0765	5644	4860	4257	4708	10794	2778	0	1131	16966	5670	5254	1394	20347	3206	1168	1469	2095	12863	13936	2742	6972	5761	2877	2171	0	0	628	0	1020	774	1337	741	2121	708	9545	0	1290	1855	2993	1161	4754	5214	0	0	0	1612	2920	0	0	2013	4784	3946	6780	0	11528	15145	6139	1943	1217	1738	2748	1895	27798	14262	6947	14648	4399	2208	3372	2039	3890	1343	860	746	0	1586	0	888	4475	0	3341	962	0	0	17827	4714	2453	4617	3283	2713	0	0	0	5530	3677	0	4614	5524	13041	26564	23709	1764	1750	1320	0	1986	14348	0	893	23000	Phytochemical	0.6111111	0.8888889	0.0
24	C18 H16 O11	409.07654	409.07703	0.13596316	409.0766	4680	6853	4312	3594	14744	8880	1307	0	12778	5069	1482	1777	42131	8033	2092	0	0	21138	11891	2393	5156	10191	3544	1599	1388	0	1247	1468	0	0	1240	0	2538	0	4627	0	1749	2604	0	2466	3612	2176	0	0	0	4500	10115	0	0	0	3847	4463	10310	0	23570	14903	5715	1558	0	0	0	2759	33525	19009	2187	17719	2948	0	0	2084	3203	0	0	0	0	0	0	1548	6723	5729	6774	6922	1627	1229	19976	6892	3278	1861	3590	2093	0	3330	2195	7883	8400	0	5233	4098	11013	15614	17599	1468	0	0	5380	1581	11515	0	1987	34614	Phytochemical	0.6111111	0.8888889	0.0
8	C18 H16 O11	409.07654	409.07718	-0.0622832	409.0765	20939	23173	13802	19771	33471	13859	4122	5323	45053	17852	28682	10838	66711	10180	7074	7218	9262	36982	37879	18186	28578	26935	11418	6904	1414	1703	3223	3137	1653	2064	5840	3690	7922	3082	38010	2474	8358	8672	9508	9090	20648	15167	0	0	0	6732	19106	0	4949	5304	20361	23133	22133	0	37342	44344	21456	6635	4106	8361	5199	9974	85158	52455	17403	43064	15349	12840	8206	7982	14269	5822	3059	3357	6197	4167	0	5530	18716	12959	13154	6225	1813	1122	51685	13117	14271	18891	17480	10923	0	0	8875	33377	25815	0	20496	15873	49141	76107	61358	8171	8327	7912	8695	7744	37540	0	4247	68791	Phytochemical	0.6111111	0.8888889	0.0
12	C18 H16 O11	409.07654	409.07712	-0.066396356	409.0765	76735	76251	70430	75010	123197	57342	25449	22211	151952	85390	101465	32507	199788	39348	26394	28016	29424	129516	144469	64344	93417	159527	53986	27077	5536	5721	18086	20327	15484	14695	21665	18762	44315	16995	125342	15278	32781	35647	28306	40137	97801	41499	2235	0	0	52416	117428	550	23057	19052	75338	63932	82014	330	148876	129953	55367	29614	27929	32836	25531	67433	287459	147838	50381	149518	59173	38074	40414	18759	43534	20202	15179	8375	26746	15810	0	24129	66244	86309	50329	41514	8843	9187	142367	47334	50530	50187	55357	42491	10209	38778	39691	149208	84327	0	84022	73814	155300	164137	135279	41215	28207	16329	51191	40465	105950	0	15960	246176	Phytochemical	0.6111111	0.8888889	0.0
10	C18 H16 O11	409.07654	409.07712	-0.07441225	409.0765	53207	40355	36873	42811	74669	35285	9238	12292	96829	56204	64951	23499	123827	26374	15153	23397	17643	81259	79940	38132	63303	74711	34128	20457	3807	3859	16670	21507	9221	9409	11344	6788	22760	9989	83683	8317	25066	19201	18471	24277	56363	30059	1388	0	0	19918	61690	0	15225	12520	47600	39797	45641	0	92639	85732	37585	22198	14484	21934	23465	28240	161218	101769	36920	102440	34744	21221	26786	11553	32780	9611	11923	4606	16129	7261	0	13357	41101	36411	31630	24287	7336	6039	102398	36413	32723	33564	36640	28124	7051	12620	26184	89116	61011	0	50364	36244	86033	124257	100875	23105	17168	12379	23472	20614	74230	0	10146	149984	Phytochemical	0.6111111	0.8888889	0.0
18	C18 H16 O11	409.07654	409.0771	0.00913014	409.07654	45571	36382	38855	39348	90893	60946	10554	7919	91952	37870	16545	13278	187651	44016	20718	13704	6921	117859	92560	26145	30325	56683	31175	15926	9313	4175	9598	11147	6401	4496	7330	8007	18843	0	40074	6793	18951	20255	8013	23945	31008	25823	2380	0	571	34423	52043	1561	5995	10825	44462	37246	60165	458	113975	81361	35649	19764	14829	9866	13280	30569	169487	91787	34363	117813	42993	7459	17306	12013	19813	12392	6079	2509	5691	0	617	19640	39271	39387	30585	45501	6681	6706	100006	46432	30699	21624	33757	6986	9426	20354	13699	60756	40633	0	38966	39765	58362	93421	79176	14918	13821	7536	35132	13783	57178	0	10277	157170	Phytochemical	0.6111111	0.8888889	0.0
26	C18 H16 O11	409.07654	409.0769	-0.099169865	409.0765	3444	4184	2609	4817	10027	6653	0	0	10805	2982	0	0	23903	5376	0	0	0	20610	11265	0	0	3202	0	0	0	0	0	0	0	0	0	0	2270	0	4308	0	0	0	0	3002	0	0	0	0	0	0	0	0	0	0	4588	2792	8297	0	20835	11179	4039	2140	0	0	0	0	27589	12098	2865	10603	3644	0	0	2103	3258	0	0	0	0	0	0	0	5373	0	3468	3956	0	0	15633	0	0	2627	2389	0	0	2232	0	6795	6429	0	4532	5488	6839	8671	9199	0	0	0	0	0	7621	0	0	25152	Phytochemical	0.6111111	0.8888889	0.0
22	C18 H16 O11	409.07654	409.07712	0.105392046	409.07657	10853	11320	11718	8115	20547	16121	0	0	27808	14226	5342	3129	49104	12578	5863	2912	0	34656	24455	4495	6779	18901	8812	1403	3531	2382	1316	2997	0	0	1683	0	4063	1769	8940	0	2732	4987	1444	5525	8029	4319	0	0	1040	13585	23747	0	2779	1136	8816	8946	15244	615	29232	27735	8262	0	5191	1476	2163	7430	57156	30846	6514	31635	5827	0	5021	2677	6888	1759	0	0	0	0	907	981	7380	10518	9105	13145	1677	3227	34076	13644	9332	6177	9177	2194	3819	4801	3818	14723	15682	0	11731	11138	16308	23875	29348	4463	1996	3163	15628	1405	20609	0	2061	58621	Phytochemical	0.6111111	0.8888889	0.0
14	C18 H16 O11	409.07654	409.0771	-0.1137355	409.07648	91082	81184	70740	72292	149629	83370	20029	28833	185110	93444	107865	40557	283255	68849	45363	32594	27919	174837	153085	68721	110568	166677	68890	39018	13479	8892	21952	26958	18668	15420	23445	22010	46844	18040	147347	18747	39211	37140	21577	53193	74395	57603	0	0	262	52892	114767	1017	24100	24940	78056	81013	97524	398	182932	134428	70512	33793	37798	29875	25118	64352	308454	199013	64729	193875	70270	28488	45410	19019	50674	24552	19226	10557	23903	19753	247	34685	70148	94455	57315	67637	12437	12723	172164	68635	59336	61301	72071	40134	22443	41900	53249	180093	101607	722	84856	76142	130191	181072	160633	31457	33300	25821	89591	41737	113896	0	20511	265191	Phytochemical	0.6111111	0.8888889	0.0
20	C18 H16 O11	409.07654	409.07703	-0.027993402	409.07654	19041	19475	16163	18836	48322	29614	3523	4627	51347	16717	8641	8743	94743	22775	15335	3366	2227	62993	53675	13623	18232	33703	20770	4502	3371	4315	2533	6830	2987	2721	3458	4551	6038	1552	19723	0	9283	8715	5274	10977	14574	8721	1890	0	597	14710	31603	1913	1961	3634	27089	20348	23650	268	52171	51480	19844	9532	6764	5502	4098	13667	93705	57665	15243	54859	17672	0	9230	6492	6529	4437	2153	1472	1675	0	835	5567	20133	23711	19475	25011	3218	0	50581	23755	12301	11576	16844	5273	4957	12072	5789	34312	27875	0	18004	17154	32613	51523	48066	6377	7344	4847	24784	8047	40032	691	5984	100383	Phytochemical	0.6111111	0.8888889	0.0
10	C17 H16 O10 N2	409.08777	409.08838	-0.0387053	409.08777	15771	11999	11050	11586	17292	7563	3200	4020	29637	17396	15607	8702	37734	3487	4362	6189	9057	19490	22871	12469	32696	30171	9961	5322	2055	0	3056	0	3534	2675	4103	4340	10122	2948	23246	3266	7237	5124	8940	12606	32749	8457	0	0	0	13561	25666	0	5765	4525	13587	11785	11821	0	28716	21541	9500	4709	6114	8288	0	18195	53381	26596	9932	27797	11856	9568	0	3188	6091	4955	4899	2553	4150	3736	0	5051	5703	10038	5125	11172	1458	0	24402	4321	7014	15219	11726	17574	4114	7484	10333	26164	14126	0	13283	10514	15248	24032	19459	8972	6519	6039	0	11190	12345	0	2428	49113	Phytochemical	0.5882353	0.9411765	0.11764706
14	C17 H16 O10 N2	409.08777	409.08835	0.045916773	409.0878	16888	9701	11769	10515	15256	7339	2610	4596	23354	14825	10057	8280	30722	3442	5658	6196	7013	20456	21220	3645	26541	34607	10188	7272	2253	0	2388	0	2354	2119	3177	0	8330	4651	19833	2317	6513	8374	6580	12945	22012	9073	0	0	0	10674	31682	0	2618	4868	12650	12897	10087	0	30676	12662	8774	6230	0	6218	0	18026	49936	28460	6944	26291	9932	10306	0	3867	4284	3003	0	0	6670	3327	0	5281	11880	0	6353	8665	2430	4602	21006	6103	5156	18264	10786	10506	0	7633	15218	30409	15029	0	12389	10145	10809	19055	21624	10110	6143	3474	15754	6556	14478	0	2829	41926	Phytochemical	0.5882353	0.9411765	0.11764706
8	C17 H16 O10 N2	409.08777	409.08844	-0.018138064	409.08777	8313	10752	4223	7732	10704	3587	1469	3602	16866	7722	10533	4828	24218	1636	2891	3344	3014	10022	14479	7726	13142	13807	6618	5337	0	904	1365	0	1865	1242	3570	2749	4584	2056	13950	2856	3887	2664	3686	6191	16756	6542	0	0	0	8688	17748	0	2140	2814	6135	8514	5992	0	17274	13699	6304	2712	5298	5578	0	9200	39795	22002	7394	18558	6593	4969	0	0	3807	3229	2334	1645	1696	1761	0	3825	3633	5299	2363	6039	1489	948	13789	3515	3737	8919	7639	7555	0	0	9036	13669	8420	0	8634	5980	10487	20904	13747	4262	3931	2222	10373	4631	10160	0	1809	29200	Phytochemical	0.5882353	0.9411765	0.11764706
12	C17 H16 O10 N2	409.08777	409.0884	0.021033507	409.08777	26702	27016	31925	46945	48523	16014	6190	12800	63384	54048	48767	20736	90002	14792	20999	10368	14028	56806	62137	33885	66307	106638	29216	7692	2706	19533	6838	0	5588	6374	12901	8886	28926	6274	79424	7834	21276	13466	21936	44390	92322	21225	0	0	0	28840	101457	0	12290	5672	39551	27424	34053	0	76408	42794	21236	12578	16214	22598	0	42030	145058	87610	24689	61059	29710	30636	0	29640	53237	8324	7854	4640	6522	8598	0	13752	32492	48238	15906	33668	9642	17160	60166	18903	20934	24036	27674	46866	0	19468	28766	83696	41717	0	23954	23838	40806	52944	42943	26636	14448	4754	40158	20240	33643	0	5362	126501	Phytochemical	0.5882353	0.9411765	0.11764706
14	C22 H16 O8	409.0918	409.0923	-0.119228594	409.09174	0	7112	2558	4918	4269	3769	2730	0	5405	14161	12534	0	5585	2377	2496	2715	1913	4685	5740	10158	12727	9609	2129	2335	0	18399	1241	0	1870	0	0	0	1875	0	30012	0	2588	0	2530	4428	6633	2731	0	0	0	5724	12861	0	1733	1836	4784	6746	4272	0	6099	4755	1375	3872	0	0	0	2359	6202	5974	3450	5809	0	0	18920	23356	30704	0	2138	0	0	2381	0	0	5433	0	2302	8276	0	4261	6335	2626	4843	2582	1419	0	3813	0	2769	10173	13919	0	4565	3851	5728	7059	4647	0	2186	0	0	2457	3307	0	2101	5498	Phytochemical	0.36363637	0.72727275	0.0
22	C22 H16 O8	409.0918	409.0922	-0.22714742	409.0917	20754	14378	15186	12973	20196	10123	4680	3091	27428	55426	42370	3204	13042	11565	5160	7134	6274	28725	23450	30156	34187	38487	9417	7630	8903	57165	5279	25783	4070	3604	5361	0	3931	1923	58751	4055	7382	7755	6245	21303	28813	9312	0	0	0	23202	34723	0	2182	2920	19953	13081	14890	468	18949	22209	10519	5311	5711	10343	6348	20573	33286	17640	11154	22617	13263	3871	55894	60852	79000	2298	1411	1330	2007	2739	807	4712	20619	33466	14607	26469	4497	23039	29751	15654	17581	10991	10853	16387	9170	12801	7648	52536	49551	0	18950	19914	24005	21037	17843	6107	3012	8650	21809	4754	20701	0	9475	17265	Phytochemical	0.36363637	0.72727275	0.0
18	C22 H16 O8	409.0918	409.0923	-0.004805515	409.0918	25618	26051	15930	20365	19770	12169	3889	2816	21410	79727	59111	4183	21811	13846	5500	7425	4845	26729	28289	46165	55656	42813	11719	2637	4678	73378	4069	32924	0	1971	3253	3455	4531	0	89336	0	6280	6704	5796	30440	31924	6738	545	0	0	22264	29838	0	6210	2014	20162	22319	12814	0	19416	13602	9292	6799	4858	5680	4449	24620	26045	22053	13925	19717	13353	4921	71522	71172	102880	2212	2683	2851	5009	6835	0	2627	22001	37257	14912	33615	5143	29096	24823	14150	16436	9892	12332	9679	11419	19642	7038	47844	68590	0	18767	24379	24165	19537	17975	4435	3801	8461	19450	9044	12048	0	5440	27161	Phytochemical	0.36363637	0.72727275	0.0
16	C22 H16 O8	409.0918	409.09232	-0.10011307	409.09177	45086	41120	31668	38924	40744	25222	12066	4148	61476	120420	69810	11952	80126	17818	24626	22798	18454	45526	67938	71616	87488	94762	27322	24292	4264	86778	3730	34002	8904	8104	8380	0	19076	7836	126744	6144	21534	18484	15262	56604	76548	18810	0	0	0	28376	75306	0	6348	6862	35034	30012	34100	0	55458	43644	21514	15588	9556	19260	0	45842	92144	57778	16958	61506	19802	18600	85388	87280	157677	8814	3210	0	4602	5926	0	9644	25642	57310	25106	42900	9690	30634	60914	19624	33176	30266	24744	0	10786	21072	0	97000	100824	0	32830	29686	37636	47488	42784	15326	12146	10976	39262	0	39992	0	10665	77346	Phytochemical	0.36363637	0.72727275	0.0
26	C22 H16 O8	409.0918	409.09216	-0.1398273	409.09174	5888	6377	5420	4185	4823	2503	2250	0	7918	11913	4766	0	6289	4546	0	0	0	0	8930	5217	10554	10865	0	0	0	10794	0	3091	0	0	0	0	1755	0	14133	0	0	0	2891	8008	10227	0	0	0	0	0	6254	0	0	0	3607	5067	2607	0	6493	0	0	2937	0	0	0	4295	10447	4262	4445	5950	3108	1961	15746	15801	27084	0	0	0	0	0	0	0	8406	7779	6408	6706	0	4674	9221	0	4409	4306	0	2291	1958	2399	0	16205	23058	0	4441	0	5577	8076	7106	0	0	0	0	1516	6159	0	3518	7894	Phytochemical	0.36363637	0.72727275	0.0
20	C22 H16 O8	409.0918	409.09225	-0.05885083	409.09177	22750	23733	22766	20529	20496	12807	5923	4907	33881	79607	58032	5947	25205	15915	8561	8511	4687	32205	32784	54515	51218	48765	9732	10537	8925	105210	8644	43310	4030	2594	4941	3120	10423	4150	93504	2516	8977	6400	7203	36425	45962	10549	865	0	0	30455	35421	0	7211	3293	21532	30216	18359	251	26403	17038	14688	9635	9526	9677	6686	24165	37708	24052	14642	25788	15157	6675	69875	73614	101093	3516	2444	0	3520	3453	0	3445	25637	39631	16773	30832	7635	37607	32659	20861	21099	15213	15870	13514	11134	18971	12396	64254	65994	0	24698	27229	31161	29466	21260	6871	3958	10585	24546	6370	18949	0	7220	32333	Phytochemical	0.36363637	0.72727275	0.0
24	C22 H16 O8	409.0918	409.0922	-0.116122626	409.09174	12748	8962	9446	8338	12016	6031	1733	0	11300	26796	17739	2827	14096	4815	2920	5247	2868	10080	16073	16884	16412	23786	4493	2517	2984	33437	2591	8207	0	3242	1802	0	2908	1673	34543	1990	2796	3360	3774	8621	15810	4929	0	0	0	9687	20403	0	1422	1929	8239	12080	6084	0	10439	7344	4125	4393	1641	3616	2775	8184	13788	11831	3907	13463	4841	3259	22624	28618	42000	1478	0	0	2303	1211	0	2447	11689	15989	9784	9797	4022	9447	16880	6974	9622	3653	7480	3256	2150	5665	4632	25758	28947	0	8335	8805	8899	15049	12588	1868	1906	3090	10834	3102	11728	0	5458	13193	Phytochemical	0.36363637	0.72727275	0.0
6	C23 H20 O5 S1	409.1104	409.111	-0.32594848	409.1103	1346	0	1226	1335	868	624	0	0	1865	0	0	0	1099	0	0	0	0	891	927	0	0	0	656	0	0	0	0	0	0	865	741	0	0	0	0	0	0	770	0	0	0	0	0	0	0	0	0	0	0	895	1785	984	1151	0	0	701	1001	0	1919	1109	0	0	1043	0	0	718	0	1356	0	0	0	0	0	827	37980	0	0	0	737	0	0	0	0	0	0	0	0	964	1252	0	0	0	0	0	0	0	0	0	0	1425	853	0	0	0	0	0	1244	0	902	999	Organosulfur	0.2173913	0.8695652	0.0
8	C23 H20 O5 S1	409.1104	409.11096	-0.058536988	409.1104	1271	1328	0	2347	1371	950	1512	1545	2204	2932	0	2563	1526	0	1484	3314	0	0	1519	0	0	0	0	1627	1107	1692	2096	0	0	1672	0	1152	1659	1182	1341	1400	1695	3006	0	0	0	994	0	0	0	0	0	0	2857	2105	1533	0	2343	0	2523	2508	2098	1632	5870	2362	0	4000	2365	2010	0	1481	2560	0	0	0	0	1649	1425	0	74610	1035	0	1285	2925	0	2082	1795	2121	1588	1695	0	1606	1659	2074	1096	0	0	0	1884	0	0	3202	1429	3329	3348	0	0	1544	0	0	2725	0	0	1034	2261	Organosulfur	0.2173913	0.8695652	0.0
26	C19 H20 O10	409.1129	409.11334	-0.053253137	409.1129	10033	6897	7934	9535	12428	9699	0	0	14096	18228	4371	3954	21071	5191	7625	0	0	22285	13604	10853	18110	14808	7568	0	0	0	0	3650	6302	0	3025	0	5573	2765	21317	0	5471	5852	2618	8498	9671	0	0	0	0	11271	11994	0	4408	7065	7740	6028	6202	0	16251	11027	6397	5104	4665	0	4994	10523	21247	13422	3274	14790	4775	4305	0	12069	11991	5272	4115	0	0	3493	0	4782	6869	7001	7880	9047	3185	5396	12974	9746	8599	4708	4501	2219	6098	4760	5881	6091	12852	0	8096	6515	6580	13993	11044	0	4721	0	8096	3596	9790	0	0	25156	Phytochemical	0.5263158	1.0526316	0.0
6	C19 H20 O10	409.1129	409.1136	-0.10839167	409.11288	22383	25491	19273	19900	19338	14302	10015	16387	28252	43328	36905	15885	54410	11595	12450	21123	17332	25312	29056	26215	43337	51480	15790	18961	5151	14389	9958	11391	11669	15211	13486	14396	18024	12789	44273	14815	15343	13606	26805	17971	31664	13896	732	261	352	18868	30426	268	22764	14602	21979	19970	17797	249	59082	49874	12065	15042	11986	22273	22949	17239	73560	25226	14951	24341	15051	28245	24756	23920	43661	14075	13124	12962	6893	14435	286	11608	20072	6679	16944	12346	8133	7972	74588	19663	18736	17073	16783	20018	6966	13504	20185	20948	21516	439	24260	19537	24169	56238	56920	17149	13784	13884	15291	15664	22933	0	10359	73392	Phytochemical	0.5263158	1.0526316	0.0
28	C19 H20 O10	409.1129	409.11334	-0.13363065	409.11285	8659	7716	7133	8236	9005	8623	3713	4909	11870	17743	7233	4807	21763	6052	8416	3227	3278	14790	11334	17790	18498	8929	8330	3989	5206	7058	3701	4509	3148	3832	3986	4999	4868	4323	20006	2515	4756	4985	3487	9657	7271	3119	1445	0	0	13262	14456	0	4351	2360	6947	7943	7492	0	11942	8609	4713	3999	3692	2830	4659	9298	16530	9499	4730	10469	5676	3449	9822	20609	17453	4887	4493	3397	3084	3698	0	3924	6108	5238	8183	7701	3707	6633	11255	7314	7587	3222	6504	2650	3919	4330	6662	8033	10194	0	8774	8680	6984	9251	10720	5541	3713	4771	9578	5043	7373	1124	4309	15333	Phytochemical	0.5263158	1.0526316	0.0
20	C19 H20 O10	409.1129	409.11334	-0.1348218	409.11285	108764	99585	104918	83492	128154	112057	40525	63492	142495	177753	70522	49468	219376	61497	81290	63471	34717	194548	135655	145409	149399	129217	79918	68327	48958	66752	38785	53809	57966	52412	60132	56898	89255	51391	187096	52922	92180	53183	38151	116211	86929	53340	5610	1632	1515	131454	165419	1983	66205	57048	90161	96265	95918	1398	174415	111334	65306	56788	67588	36475	51476	84222	198282	131808	56789	141530	67185	43728	88186	102344	119370	60842	59446	52326	34943	59539	1321	51914	84763	68740	83221	120115	40291	86070	143864	71640	68084	48101	75843	37273	57740	71677	70534	99857	86340	2060	106454	105283	118574	95832	105919	64691	50169	57230	107509	61112	87723	2012	49302	225773	Phytochemical	0.5263158	1.0526316	0.0
24	C19 H20 O10	409.1129	409.1134	0.055747356	409.11295	16706	15047	15935	15108	20735	15477	3983	9865	25993	33985	7803	10634	40266	11245	12462	7910	4230	32349	24997	20117	24183	21195	12376	10835	5227	9061	3269	6519	6211	4101	6956	5031	10577	7690	27255	3051	8275	9544	6650	18468	13712	6746	0	0	0	17329	23728	0	7833	4525	12862	13944	16401	0	36289	22114	12931	7138	6891	5122	6341	16915	36466	23715	6612	25854	11206	5081	12267	18650	18361	6309	6130	6370	4758	6156	0	8139	16790	11661	12904	19313	5194	11587	26905	12699	11406	6146	8485	3862	7600	10683	7283	18673	20971	0	18784	15254	15063	19477	15282	5121	7392	9583	21794	7268	14661	0	5220	43908	Phytochemical	0.5263158	1.0526316	0.0
22	C19 H20 O10	409.1129	409.1134	-0.054872926	409.1129	37741	36207	32784	32983	46078	40635	14432	21963	65795	69709	25416	16773	77406	31282	33989	16128	9641	69289	53388	61518	64489	49515	29707	26796	25044	23244	10555	15223	23432	14067	21104	21368	29605	19236	62382	16246	32698	22144	14502	35624	30276	17423	2827	0	1260	49257	56141	0	21214	19907	37723	34812	37926	1044	67208	37816	26087	20951	23734	10390	24936	36466	70739	52710	22115	60832	30323	11867	29506	47137	40028	22130	14756	15455	11034	19957	1766	19807	30999	22880	31749	47359	14590	19950	58377	36434	25547	17045	23997	14813	22750	27815	21968	39183	37672	0	42567	34719	40989	47927	43965	17770	16973	23647	44648	19594	37551	0	17122	101510	Phytochemical	0.5263158	1.0526316	0.0
10	C18 H20 O9 N2	409.12415	409.12473	-0.09941703	409.1241	182578	180528	165564	151242	103921	86337	85978	156737	147167	263818	161480	131131	174806	52903	118359	155349	142933	182651	181515	221950	294909	292878	147332	168243	63656	37869	100093	85479	133321	127912	137962	145557	179987	130632	346049	131553	182939	101278	161387	255334	322497	97359	3043	0	0	230318	345328	0	149152	136233	177166	172018	110901	324	185474	94971	72434	155195	165318	155476	149346	186861	205727	153608	76199	152740	111822	183495	112946	101181	141981	144211	132341	122179	113026	122660	0	108096	142072	115994	116202	179076	90452	84100	119994	70656	117065	113214	118407	193321	96559	158866	244360	188644	181209	708	174265	181398	101981	110053	106474	168891	111356	179005	261132	162272	94070	0	81829	235502	Phytochemical	0.5	1.1111112	0.11111111
6	C18 H20 O9 N2	409.12415	409.1248	-0.11277147	409.1241	62687	62188	53566	57523	41346	29370	23839	59229	55264	83842	64913	42861	70324	15243	34408	65002	56725	62722	72274	62494	114754	95784	50335	65835	14934	9974	24408	30792	41734	45826	48322	50203	67111	42559	103932	44971	60747	35963	75525	61680	129660	35074	0	0	0	61799	124632	0	56928	46099	58414	58775	40895	0	64908	41287	32081	51684	43906	64046	60819	53490	99940	58919	27695	64135	42784	83259	29992	25966	53276	46947	45898	39637	31202	41508	0	29015	36569	34080	32726	41071	22831	22847	52837	29794	38357	50633	44894	79659	21778	48967	87881	67898	60191	0	62764	56483	34483	53591	51326	61903	40071	65713	68087	58946	36903	0	23967	98819	Phytochemical	0.5	1.1111112	0.11111111
16	C18 H20 O9 N2	409.12415	409.12466	-0.09652306	409.1241	54315	53833	61427	60830	54681	49211	39169	54291	62523	84849	38254	37966	100454	28957	60482	58032	39915	83032	87907	55539	68727	98526	53064	75174	48437	8677	31783	28319	46077	36382	52697	51065	81632	37453	107946	46567	87250	44068	54355	67294	67650	36339	1066	0	0	59902	79254	0	61327	45184	64261	64611	51833	358	73837	44490	36450	66123	50429	35487	61152	61425	78992	60213	29882	69825	51208	45153	23354	28333	28509	49005	40212	31966	39827	45968	0	45863	62645	45115	43278	51469	34877	35793	51382	35771	64220	55447	45251	66999	48879	73462	112634	62633	71100	0	58527	67660	34439	45882	46672	66378	37467	47158	48136	89274	42644	466	51171	104134	Phytochemical	0.5	1.1111112	0.11111111
8	C18 H20 O9 N2	409.12415	409.12476	-0.08564424	409.1241	135164	149122	108068	139837	82856	57812	55464	118832	114149	190073	138849	105841	143855	31533	73820	120619	123333	120740	139282	157686	218355	217813	109286	131508	40800	19845	61845	62228	96253	92888	94580	113915	129210	94561	260505	87960	124026	82281	153232	180758	285357	77072	1108	0	0	174693	282065	0	116017	99921	125552	128147	76519	0	133858	83471	60926	106170	100813	134694	127647	147953	181463	136791	68401	115660	88609	145238	75895	68758	119227	113395	101934	83828	85004	87555	0	77878	95418	95088	82016	111148	61333	69021	93670	56087	84611	94779	96254	164918	68060	134104	176911	148958	157404	0	131625	134556	82182	103159	91897	131314	80721	139439	132900	120824	74845	0	59079	183975	Phytochemical	0.5	1.1111112	0.11111111
12	C18 H20 O9 N2	409.12415	409.12473	-0.1023223	409.1241	157225	141806	157275	155446	111347	83751	106455	166358	137263	199086	132534	110586	175142	51039	114074	131926	147565	170037	179826	181075	235045	291861	141479	144022	74459	31845	79359	75666	123093	99268	133133	127410	188679	115370	291472	112821	166611	114753	150721	234792	305664	88610	1739	0	0	199256	272885	0	132640	132530	161779	151107	110607	348	199849	91290	77192	149239	176007	132711	144552	196946	213966	148415	61898	162663	101273	177781	91896	92545	143274	129126	113360	107066	95864	102835	0	114482	124111	140363	121590	166489	89432	87999	111446	72913	134201	95597	114539	210185	97937	170352	230399	182019	140773	0	172723	182235	99194	100219	99739	173450	101788	134494	226944	158339	99632	0	94588	249714	Phytochemical	0.5	1.1111112	0.11111111
14	C18 H20 O9 N2	409.12415	409.1247	-0.07829876	409.1241	117867	114437	98104	119255	85222	91349	83339	100028	116975	153465	95335	71161	150591	47099	90400	106054	98322	144357	131081	105758	142579	202872	97245	121555	64950	26252	75976	62965	84192	67469	89231	89112	132207	79592	190572	77493	128942	81123	111608	152279	160707	81666	0	339	0	126289	153473	372	99010	92752	104925	111135	80444	210	147448	70122	59346	121118	130743	95823	117406	142009	150973	123989	54747	125574	88579	104580	57550	71443	64648	88889	75609	72340	76336	79690	215	85834	100021	93521	79501	104606	56934	56310	94704	63173	97825	94031	87508	151280	79749	94571	204424	122383	122980	435	109563	107005	62389	91181	73018	125926	78525	103336	130071	122875	63177	0	76811	165142	Phytochemical	0.5	1.1111112	0.11111111
4	C18 H20 O9 N2	409.12415	409.12485	-0.14996676	409.12408	11580	12424	13063	12124	9881	5125	3804	9179	14966	14210	15344	8110	16949	4389	4971	10796	17789	13835	13593	11885	19535	18795	9819	13984	2874	2456	4387	4319	6216	5291	7481	8232	12107	7186	20610	8238	11042	6939	23118	12916	22977	8503	0	0	0	9916	23810	0	10195	7928	10646	10499	9230	0	16279	13027	6158	8507	7334	12144	10622	9162	25297	14381	9976	13288	8358	17482	6408	5169	9015	8007	7508	7583	3255	7611	0	6448	9732	5850	7695	6880	4411	3619	20057	6796	8480	10357	9068	17949	4705	7845	16884	13224	12004	0	9999	13879	13034	17229	15421	11145	7749	13078	11135	11946	9789	0	3933	23908	Phytochemical	0.5	1.1111112	0.11111111
8	C15 H24 O9 N2 S1	409.12753	409.1284	-0.30881596	409.1274	0	0	1174	0	0	1368	0	0	982	1560	0	0	1651	0	0	0	1164	852	881	0	1386	0	1041	1283	0	1626	0	41552	1026	0	0	0	0	1069	1617	1234	0	904	1295	1586	1789	749	0	0	0	0	0	0	1323	851	0	0	1027	0	0	0	565	0	0	1107	0	0	1089	855	0	0	0	1396	0	0	1824	0	897	755	0	1953	0	0	0	2862	785	0	615	0	0	0	999	733	853	1935	0	0	2294	0	0	0	1399	1738	0	581	0	0	0	0	0	1477	0	0	688	0	Peptide	0.6	1.6	0.13333334
6	C15 H24 O9 N2 S1	409.12753	409.1276	-0.3425763	409.12738	0	0	0	0	0	0	0	0	0	0	0	0	624	0	0	0	0	0	0	0	873	0	909	1249	0	0	0	56647	0	1027	705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	609	0	872	0	0	0	524	0	0	0	0	0	0	808	0	0	0	0	0	0	0	0	0	767	0	0	0	0	0	0	0	0	645	0	0	0	0	0	0	0	1027	0	0	0	0	0	0	0	0	0	720	0	0	0	0	0	0	0	0	0	0	Peptide	0.6	1.6	0.13333334
24	C23 H20 O7	409.12817	409.12857	-0.16634712	409.1281	27472	24492	24017	19790	22503	13735	2819	5332	24219	52943	56618	5652	25363	12944	8244	4742	4802	23473	28719	43583	47615	31617	8803	10037	5764	112985	2471	44990	5114	2671	3966	4534	7445	4955	79896	4065	7178	6333	8718	37863	49148	9273	0	0	0	32089	39602	0	5715	4012	23586	20539	15584	0	22470	19756	12972	6119	7489	7894	7667	27421	28447	19101	10859	24440	17673	7136	110522	107491	146743	5050	3531	2754	5836	3150	0	4807	17741	32689	14617	29464	7018	32481	40057	13742	17317	12210	12901	14658	9348	14655	7058	43278	40895	0	22520	21235	22229	26743	23042	6291	5625	11748	19597	6777	19299	0	9031	25528	Phytochemical	0.3043478	0.8695652	0.0
16	C23 H20 O7	409.12817	409.1287	-0.12124256	409.12814	20189	22839	18871	19357	16172	11609	7080	10177	19822	55952	45141	10440	20941	14204	12361	14812	15410	17428	28665	59925	44020	26502	13014	17777	11589	88340	7528	35180	9114	8866	11281	5962	16958	11279	69127	9780	9645	11243	11951	26050	28385	9605	574	0	0	23666	33292	0	16325	10721	24206	21890	15883	0	14406	16539	11096	15877	8981	12805	16532	24604	27477	16569	9890	21001	12743	13381	76482	90693	116677	11587	6142	6534	7982	13237	0	10394	21922	20008	14050	22929	14080	26716	19168	11839	18892	11836	10928	0	14500	20140	0	22726	30798	0	16788	20502	19134	17163	20543	16347	9183	13577	14584	13677	17237	0	14896	23697	Phytochemical	0.3043478	0.8695652	0.0
28	C23 H20 O7	409.12817	409.12854	-0.1119798	409.12814	4694	3609	3615	3775	4170	2886	838	0	3744	9049	6157	0	4077	2257	0	0	0	4025	6190	4711	8784	4896	0	0	0	12546	0	7858	0	0	1236	0	1112	0	12424	0	1327	1981	1635	7132	9408	0	0	0	0	4782	5389	0	1152	0	3459	2432	2768	0	4869	3465	0	0	1243	1920	1978	3273	4394	3214	1716	5331	1968	2053	23351	17548	27941	1407	0	0	0	0	0	0	4931	7698	3829	3294	1844	4096	6166	2821	3941	1821	0	2124	1681	3044	2755	7000	6000	0	3701	2927	2397	3629	5227	0	0	0	0	1718	4269	0	1225	4824	Phytochemical	0.3043478	0.8695652	0.0
20	C23 H20 O7	409.12817	409.12863	-0.08994757	409.12814	52253	64408	57390	49551	49676	31099	13164	17695	54857	147584	130487	17891	51163	36316	16778	26656	18275	49751	65674	118922	119170	72595	25904	25450	20400	269508	16758	105993	11691	16915	12804	14491	20449	19663	173565	13930	29657	19761	17346	78907	99779	21860	1306	0	279	64091	74615	479	19991	15502	51250	57775	37021	526	48008	37531	25911	25565	19301	18505	23377	60919	62462	38689	26233	60772	33753	19496	208932	272875	328948	16668	12423	8846	15102	15597	0	16505	49791	62579	32773	39222	20707	87455	57427	33170	33576	30455	32255	36896	37695	36343	35424	74423	85114	528	53120	56639	51830	49327	45953	27296	12233	30312	46733	23777	41368	0	23476	57108	Phytochemical	0.3043478	0.8695652	0.0
14	C23 H20 O7	409.12817	409.1287	-0.13570969	409.1281	10449	8437	8276	8948	6131	5659	4946	7286	8599	26635	11093	5089	5287	7524	5133	9368	6641	7928	7807	14419	19051	15222	6736	7652	6416	34814	6318	13039	6063	5407	5497	0	8583	4495	26718	6978	5809	4616	9105	14686	16352	3100	0	0	0	9811	15348	0	5736	6105	10735	7977	4174	0	7828	6190	6805	10987	0	7736	0	9795	8278	8194	4433	9221	7763	6993	31248	30256	44279	4608	7034	5065	5183	6823	0	3671	11192	0	7142	10229	4513	12140	9086	5755	8700	3968	6003	12036	4471	6862	8136	12584	19446	0	12980	11910	7840	9238	5877	5230	5816	10887	0	3522	7573	0	5120	9041	Phytochemical	0.3043478	0.8695652	0.0
26	C23 H20 O7	409.12817	409.12854	-0.14424418	409.1281	10345	8628	7056	5154	7193	4116	0	0	12704	18820	18340	0	9590	5443	0	0	0	7144	8489	14349	20517	12156	0	0	0	40123	2051	14579	0	0	0	0	2720	0	24520	0	4195	4045	2909	13990	20385	0	0	0	0	10166	16675	0	2819	0	8611	10381	4504	0	11811	8286	4122	2388	2389	3484	0	10856	10478	7275	4068	12373	5199	2281	42965	42860	64597	0	0	0	0	0	0	0	6483	13383	7210	9415	2991	10799	11796	9302	5463	2602	5987	3736	2974	4021	4784	17720	22843	0	9044	0	8017	12003	0	0	0	0	8441	2393	8085	0	3585	10518	Phytochemical	0.3043478	0.8695652	0.0
22	C23 H20 O7	409.12817	409.12863	-0.1290782	409.1281	48209	47440	39863	45315	46989	26737	9831	11458	46512	128189	113000	10221	32658	31875	14645	14212	12256	47250	45652	90885	97360	63154	22743	19797	15047	248786	10784	99724	13827	8771	12898	9383	19589	11082	141659	8149	19019	17127	12816	67858	91107	18606	0	0	357	61120	67276	0	14819	13113	48316	44305	33882	463	37946	36721	23629	19639	16757	17411	22206	49040	63627	38692	20963	44363	35818	15142	203141	215220	271475	8893	7274	6918	7435	11573	284	9910	31976	58350	28775	50388	19646	61730	49795	32057	28947	17716	24670	24130	27957	27547	20887	63466	80663	0	45437	39748	46615	48135	42050	18144	7281	24145	51149	19066	42205	0	19671	53810	Phytochemical	0.3043478	0.8695652	0.0
22	C20 H24 O7 S1	409.13156	409.13202	0.045083273	409.13156	24318	23127	20382	25748	13684	33860	3052	21734	21219	83532	43069	5813	24481	8892	13790	19416	6819	27737	26028	83320	62242	60574	9397	9237	12188	55877	3729	47241	7998	9806	10914	5966	17972	6423	92884	7310	28678	7429	8663	60352	33094	18666	0	0	0	33284	31570	0	8484	4661	27776	24738	29236	0	22214	15990	10534	10700	21332	16528	25484	52844	13139	23166	6864	20003	13900	11896	46032	103481	59684	6014	4215	2745	4323	9388	0	5046	6953	25755	20390	24905	15771	37626	16657	10127	24790	10628	12994	13609	53978	70048	34804	46894	77023	0	23325	20908	15183	18040	14991	11946	6048	24110	24104	13796	16638	0	9969	24716	Organosulfur	0.35	1.2	0.0
10	C24 H24 O4 S1	409.14682	409.1472	-0.3116026	409.14667	2966	0	0	1710	1809	2991	4094	0	2013	0	0	2823	0	0	3142	0	2198	1987	1931	3645	0	2191	2929	2566	3049	0	2679	0	0	3710	3847	2868	2169	2586	3455	0	2270	2967	2410	0	0	1580	0	0	0	0	0	0	2766	1875	1741	2153	3557	0	1580	2267	4343	3645	4641	0	0	0	2387	1563	3969	1881	3245	1868	0	0	0	0	0	0	51935	2105	0	2422	2469	0	1655	2990	3284	0	0	3285	4181	2513	0	2860	0	0	3503	2033	0	0	3306	0	0	1884	2011	2240	3265	0	0	2430	4095	0	2460	1986	Organosulfur	0.16666667	1.0	0.0
20	C20 H24 O9	409.14932	409.14975	-0.09279421	409.14926	497590	482855	472395	392783	411928	386991	214383	463112	507648	951221	333387	257987	725655	254572	442651	365632	199010	651869	597037	866011	745810	501959	405775	455490	342573	530908	199732	287574	430416	349395	410722	398382	465017	383541	998377	356602	521315	311800	214801	611131	343178	261946	15411	6303	3624	517001	366089	5382	399551	360784	465076	502107	343235	4075	640193	356902	224068	412087	441463	181831	400162	422012	637891	507184	199183	451540	323371	232305	457823	942955	608573	434092	407112	399842	233345	387987	3314	356139	388656	197560	343849	303234	276755	382151	400521	258988	313989	232088	294876	245833	374831	445485	557015	269029	346497	8834	471226	468504	354399	325004	349449	358219	286754	445184	323599	364642	303773	6243	273065	776612	Phytochemical	0.45	1.2	0.0
6	C20 H24 O9	409.14932	409.14993	-0.16619743	409.14923	52500	40462	39572	49166	18850	16444	33434	52394	16948	26041	21589	35122	27078	7905	37722	60190	42828	30602	31748	28215	36961	24738	39990	29301	21804	38626	33426	10310	20050	25545	20928	41706	42954	17049	36239	39962	36366	33730	53764	20289	28890	23528	995	895	1573	20703	33007	787	45974	49162	42456	42842	10649	864	21873	27688	22552	43238	40714	26958	47020	18874	35306	27630	19930	20394	23094	58460	24332	24484	34823	32884	38180	24291	9989	46716	1097	28976	37682	10301	40576	16188	17191	26100	35146	11018	37436	21248	29430	28441	7010	32620	45202	18564	31234	1231	44652	45926	10930	26104	20520	43582	35682	60186	19167	40970	27514	1099	28228	27216	Phytochemical	0.45	1.2	0.0
8	C20 H24 O9	409.14932	409.14993	-0.124935575	409.14926	161102	177890	128012	89727	75030	34618	52451	184872	100810	240786	77797	126570	49559	24350	125700	179526	145918	99460	66857	269868	259436	90324	74714	209260	39941	164976	110398	59110	77052	152482	146612	171510	75126	73819	279284	154658	70867	61429	174550	85195	223266	43509	2948	1098	1239	91915	102691	885	164050	175994	165124	167314	77856	1438	142886	94276	62678	154992	148460	162860	107661	68474	115076	118290	34657	83780	85848	186338	116469	110037	295266	158330	144592	163768	94120	166150	1461	120248	153782	54445	139022	120746	65838	122116	116878	31429	141604	61022	85346	84402	56758	68979	87828	110926	78875	2088	88091	177090	50471	105346	57655	154656	113872	211472	59083	135732	46433	821	112608	112850	Phytochemical	0.45	1.2	0.0
24	C20 H24 O9	409.14932	409.1497	-0.1253255	409.14926	47231	46669	47536	42769	46805	38380	19147	42990	53130	90983	32024	30942	94523	25525	47980	38509	23096	68664	58415	75518	65901	50039	47230	45882	32602	39647	18345	23130	40717	31172	36998	37680	38933	38378	82292	39199	50162	29878	25933	48904	39217	25483	3157	2349	0	53060	48806	0	44711	35557	44809	44671	35825	0	83930	51366	25996	49179	34483	18599	49153	38769	77840	57655	18026	60172	32552	24818	41776	95467	77298	43862	33269	43823	25508	35420	0	36348	54073	19498	47308	31328	24767	33936	52305	35280	46883	29424	32770	19641	35431	42551	55010	23909	41316	2211	47501	42241	35884	47479	41527	31227	30486	45350	34608	36012	32425	0	29400	86438	Phytochemical	0.45	1.2	0.0
10	C20 H24 O9	409.14932	409.1499	-0.102906175	409.14926	494620	488306	235638	445598	254820	211684	343748	556352	348294	407991	247990	368974	326128	98433	350710	574028	390422	344324	410356	811616	795842	247184	426454	589426	273092	355178	365652	364902	418570	430164	447294	472402	461164	392748	847374	463360	423022	184832	479704	583404	294999	209160	7593	1477	1800	524058	558596	1321	483538	501638	493692	485556	248180	2487	422134	268346	181702	496180	472490	448140	279455	394480	350296	340068	180322	289758	239364	232697	349680	848892	948246	474892	460300	478384	355682	233110	1905	333334	501960	141002	466070	202067	195722	339380	350582	212614	411164	203932	249970	444366	168287	370228	503574	327294	470322	3531	502406	502312	306948	290422	282294	432724	313944	530396	217777	372200	261426	1522	340204	371968	Phytochemical	0.45	1.2	0.0
28	C20 H24 O9	409.14932	409.14972	-0.16286552	409.14923	17380	12388	14106	14229	13878	12359	7416	17313	13792	28808	10930	6622	26461	8866	15726	14138	9641	23954	22907	34731	28049	13718	14403	17817	9497	17154	6947	13351	12844	13865	9483	11703	15909	13696	29957	13700	12700	9311	9572	16239	11947	9368	2521	0	0	14635	11886	2199	12593	13643	12744	14544	11794	0	21288	10992	6675	13297	8754	5506	15392	11900	19255	13880	7871	15810	10005	9293	18080	34113	22848	14056	11270	13963	7858	12174	0	9087	15086	7244	10783	8667	9420	12812	12059	7620	12737	6193	10478	9157	11358	13983	17133	6993	9881	1305	16221	13477	10993	13982	13032	12572	8942	12582	9256	12745	7229	1816	7673	22709	Phytochemical	0.45	1.2	0.0
22	C20 H24 O9	409.14932	409.14972	-0.12238549	409.14926	162386	138073	138410	140353	134842	125814	70344	141099	161794	284328	112199	89846	196958	76245	130954	123892	67260	215761	151515	237931	234727	152669	141194	150999	112709	139327	61944	94018	131318	108036	124082	133859	139750	117236	250930	113916	158921	110435	73100	164444	118834	74730	10813	0	3208	165986	129690	3621	129941	117233	150666	137764	114002	3101	198625	144860	84014	135362	113862	60682	132133	115286	213053	154853	65130	169896	107254	74213	137122	282595	201611	138835	113783	118087	69242	117973	3314	112473	149237	65741	143496	119512	78676	102649	160134	97010	126178	77809	93930	65369	129008	127838	149437	79161	135160	3939	138695	136473	111985	129783	129362	111469	89310	112051	106236	121878	100701	4105	89676	255790	Phytochemical	0.45	1.2	0.0
26	C20 H24 O9	409.14932	409.14978	-0.09688147	409.14926	19030	18008	19260	19686	15967	20643	6637	20383	28445	38688	13525	13358	38101	12778	18932	18338	6868	37185	29685	42118	37205	22056	21020	25719	16535	17215	7127	9352	19576	11505	18042	16808	18186	22538	44571	14172	21652	15629	11637	25608	20281	12260	0	0	0	20590	21301	0	20759	15394	21848	19579	15163	0	32439	19361	9899	22511	16910	8491	22833	13275	34499	24399	9195	23706	12853	11449	18566	35752	30331	19835	16420	16310	9515	15037	0	14551	23894	9661	20446	15193	12529	14181	22985	15440	13913	14056	12791	9305	15647	23429	27971	12856	17565	0	20988	31133	16750	22945	19968	20355	17087	15698	14093	14851	12777	0	12681	35898	Phytochemical	0.45	1.2	0.0
4	C19 H24 O8 N2	409.16055	409.16122	-0.14176428	409.1605	30871	33794	27235	29162	20168	20284	13237	30849	23254	39774	23869	21697	39156	12937	22925	32687	34347	26864	29828	39264	43273	54329	26353	31555	15175	8403	19716	14094	22575	21265	23644	23159	34194	19133	55570	25505	31963	21542	46910	34913	44351	17593	0	0	0	41528	50572	0	29454	26572	30112	24273	18495	0	34654	20385	13085	30469	25699	31040	31998	26386	35201	24471	16240	27307	15620	37037	16287	14736	19704	25173	20151	26953	12154	20334	0	19095	23561	23609	22294	23516	17951	15941	23114	17266	24610	19634	20934	38587	25738	38137	49903	31123	39474	0	27013	35105	16950	25229	21674	31349	17833	42348	28478	28917	19664	0	16228	35513	Phytochemical	0.42105263	1.2631578	0.10526316
2	C19 H24 O8 N2	409.16055	409.16125	-0.1482087	409.1605	13928	12603	13295	13072	10401	0	10884	15391	14095	9941	11202	12634	17622	5754	9530	4853	16452	14506	15804	11741	20639	19408	12824	12609	4675	2452	2398	8613	13955	9616	12063	12468	19569	13229	20094	10505	15034	10426	18020	12229	22712	10888	0	0	0	11289	18265	0	11923	8895	13491	10997	9760	0	15493	8302	6003	15201	8981	14071	6555	8342	19056	14941	8739	15876	10986	23050	5606	7303	9422	14724	13060	11621	2033	11646	0	8585	14097	9125	12526	9457	8962	5959	10918	7194	14156	13606	11445	30380	9576	16063	24017	14250	6857	0	15763	13293	8914	11376	12247	10330	12027	11632	9733	17455	8848	0	9416	18298	Phytochemical	0.42105263	1.2631578	0.10526316
8	C19 H24 O8 N2	409.16055	409.16113	-0.1452226	409.1605	197704	226632	160253	192685	76454	81295	121342	211498	120209	308217	151671	133466	132321	36669	156035	212633	151409	122980	165467	301721	306463	331376	154797	240238	106484	54428	127573	114017	179590	174553	191096	215324	234185	184864	435036	193061	224266	148273	197905	300248	281105	93086	1001	0	0	268536	262239	0	235682	201835	202155	213472	98007	0	158564	72171	74480	195677	212837	181191	210320	196185	133341	131494	66414	125840	102113	193844	90367	139028	148876	202733	196360	179290	118976	188287	0	125429	155816	137607	125716	155387	150724	146932	80891	81944	132747	108190	119693	212302	175074	275470	315426	182956	253094	429	199893	188806	75644	77634	74882	206149	134614	284181	138239	186462	72809	0	121712	156889	Phytochemical	0.42105263	1.2631578	0.10526316
6	C19 H24 O8 N2	409.16055	409.1612	-0.13388415	409.1605	110644	119912	98473	102584	51907	50222	60403	130710	73149	168392	89599	71516	85714	23702	81669	120779	82985	85834	96051	147402	173554	186272	80274	124735	53383	26825	53833	59691	94487	91462	96252	116555	125338	88516	216616	95212	112503	72497	115314	114620	161779	53499	0	0	0	134656	162689	0	124437	96200	116106	105864	59864	0	93563	46746	40837	117912	87627	101774	125676	95504	89107	73788	34051	72983	62810	117742	42923	60927	73540	91914	88912	93393	61458	84690	0	65374	80333	74815	65757	67349	65725	60199	55493	43494	78287	62169	64108	132032	84721	132747	157846	103616	135806	0	105553	94270	40071	52263	55393	117789	65779	137546	91594	110684	49809	0	62838	101830	Phytochemical	0.42105263	1.2631578	0.10526316
10	C19 H24 O8 N2	409.16055	409.16107	-0.1837503	409.16046	308312	296537	269856	253207	113270	121331	206946	378567	154785	439524	196341	199107	154544	61103	270246	307251	211757	209064	229274	428431	410408	487258	231929	365055	204020	100202	195004	172767	333556	308968	312773	369844	375417	301717	554955	313968	386806	231346	251515	489964	345422	142953	2477	472	0	383667	332016	0	353694	313580	287629	288533	142859	546	220381	96390	96710	336644	385763	233082	336391	281122	163456	155482	94878	166125	152075	265247	125344	223247	181476	334979	296074	322579	206116	275171	0	214108	210752	178729	207838	232963	276671	193411	108779	116235	196491	155440	173937	266477	260755	379852	465630	234003	346257	1372	285539	275913	92641	88382	83846	324331	204070	436677	255967	301975	90663	0	198917	206051	Phytochemical	0.42105263	1.2631578	0.10526316
20	C24 H24 O6	409.16455	409.16498	-0.13402297	409.16452	86947	101301	88284	88295	90068	53121	45380	64562	72699	154584	144743	43285	82968	62788	50773	77228	59775	70017	86170	177138	179559	97461	57475	84352	58082	415111	43804	132638	56543	50525	48770	62004	60926	53403	174343	52869	76752	49296	49570	138940	152868	48950	2388	0	0	77493	102569	739	63415	57415	103234	103963	59535	602	67243	64192	51307	68486	58284	52033	68361	92218	83205	64480	42748	72314	59072	64318	324205	353645	512143	55935	51508	50107	45353	57422	537	41947	85919	82457	62493	69638	53616	132025	83525	51976	85445	51754	51959	82587	79736	76232	89610	80757	99231	671	99992	89271	79971	77352	79353	65463	44807	76318	66118	68402	69427	787	53462	82630	Phytochemical	0.25	1.0	0.0
18	C24 H24 O6	409.16455	409.16498	-0.16203508	409.1645	65487	65987	51595	57915	48589	27804	33425	46948	42100	80466	79480	35090	47823	34914	41958	57308	40684	43617	55554	100881	101511	57282	44649	60521	38466	203795	35096	69305	36710	37072	45297	47224	54897	34705	83724	45278	51507	38610	45085	74478	86781	31372	1177	349	0	48830	57990	586	45986	41781	69699	58800	41220	295	39416	40308	29835	61921	33099	39667	50412	47325	49308	36500	27925	45461	38597	53602	161884	193428	273266	35721	39155	39633	44756	48884	0	34740	69349	42903	50147	47199	34294	47887	57419	39352	65745	34504	33929	65929	58992	48745	66524	50287	57234	643	54249	52296	49364	46806	45498	44480	31043	54038	35136	45295	39392	0	49554	45462	Phytochemical	0.25	1.0	0.0
24	C24 H24 O6	409.16455	409.16495	-0.1504639	409.1645	53380	60064	51612	56334	55841	30627	16648	30835	58058	113707	139676	20196	77556	42161	31407	40045	25668	58080	69505	110678	123545	58665	35077	37810	26529	302045	12932	121396	26263	27612	24797	26377	29832	27137	141354	24183	39553	22768	26558	100486	110379	29862	2199	0	0	72534	74633	0	29566	25382	54246	60290	40177	0	51989	47507	30696	37465	33114	21392	40280	74384	62983	45787	24815	66793	45782	30851	286596	233752	333976	26948	25216	21098	18055	25954	0	27763	44123	49212	37417	52030	27429	84864	66622	40267	48792	31136	31308	39544	35241	41184	48331	64943	57173	0	65419	54866	45634	56652	58250	37925	21448	44239	43136	34429	45393	0	30478	55585	Phytochemical	0.25	1.0	0.0
22	C24 H24 O6	409.16455	409.165	-0.13947693	409.16452	106177	105128	84105	93990	106770	61496	40608	63483	82228	189188	206044	36476	88050	61253	53299	76007	45501	88343	86744	213027	211933	95967	63011	72673	58603	509435	36821	181922	58932	44989	53700	50408	61479	51543	219490	45748	69505	41868	46474	149867	188029	47506	4059	0	522	111057	119628	0	56553	53532	97079	104529	65656	804	82121	70898	53272	61412	54391	51043	70242	120005	90767	68273	45693	98319	79730	51343	439632	467762	584790	61201	40203	44908	34242	53394	403	47080	88731	89623	67102	76244	50562	127278	94013	57821	91291	62159	63655	64126	71527	86934	92846	98426	120755	0	95562	93996	81126	84664	75126	67303	45771	81395	70093	61462	73673	0	46654	81955	Phytochemical	0.25	1.0	0.0
28	C24 H24 O6	409.16455	409.16498	-0.16795047	409.1645	5557	4933	6301	5942	7851	2614	1737	2847	6549	8510	10071	1268	9938	3328	2851	5184	4764	5153	5886	9079	9886	6354	3937	4053	0	25533	2019	10510	2522	0	2319	1810	3880	3002	11724	2635	2940	3394	3038	6753	14420	2611	0	0	0	6183	8138	0	2542	0	4899	5078	5212	0	4382	4404	2407	4873	3075	2875	6126	5388	5808	4442	3542	8342	4697	3321	28202	23547	39334	2329	2154	0	2185	2582	0	1660	4717	6222	2663	3686	3877	8157	7410	2819	6168	2758	2795	4385	3773	4398	6955	7018	6521	0	5755	4194	5064	9363	9358	4409	1710	3711	2713	3978	3979	0	3160	5459	Phytochemical	0.25	1.0	0.0
26	C24 H24 O6	409.16455	409.165	-0.119605	409.16452	15133	20822	16788	15363	21101	11084	3240	5805	18547	29789	38467	7556	31065	12999	8798	12278	8189	17500	24339	33268	39122	24577	12141	14543	7697	84909	3902	37957	9341	7448	10005	9260	11739	9089	37610	9833	13323	7934	9236	30452	37682	7942	0	0	0	19505	30521	0	9509	8883	21212	17418	13562	0	17393	21471	11407	8919	12260	9270	12376	25004	21892	17550	8404	24268	19335	9394	97070	77293	117256	6708	6430	0	6512	8528	0	5707	18962	12960	10581	16227	10115	30193	25604	13061	15757	12066	11271	12450	9184	12925	16215	22841	24860	0	17914	17888	15959	24463	22670	8005	7357	11224	12709	10297	14791	0	9160	20684	Phytochemical	0.25	1.0	0.0
2	C18 H24 O7 N4	409.17178	409.1725	-0.17143533	409.1717	7250	6695	6910	6872	3482	0	5565	6569	5056	2233	2728	7187	6388	2167	6254	1485	10071	5873	6845	2949	6154	8813	7361	6829	3480	0	0	11331	7583	4221	7066	6703	11549	6462	4620	4922	9274	5374	10961	4120	5785	5312	0	0	0	3661	4421	0	6751	4472	7130	7236	5284	0	5454	2460	2919	9675	3411	4959	3399	2589	7189	4881	2783	7309	5614	15060	941	1083	1381	5675	6575	5089	632	4072	0	6071	8784	22526	5308	2895	2833	1776	2957	4381	9662	6250	5399	23222	10172	11185	18414	6920	1114	0	6134	5783	2312	2752	2823	5752	6795	4507	2936	10910	2303	0	7769	7162	Peptide	0.3888889	1.3333334	0.22222222
4	C18 H24 O7 N4	409.17178	409.17242	-0.22774729	409.1717	6792	6971	6614	7870	1950	3733	3792	5210	4194	3752	3420	3884	4367	1534	5324	8563	8663	3796	4958	3481	5173	11567	6388	7835	4645	386	4454	6260	5054	3711	5144	5921	5860	5471	5823	4738	8201	5292	15039	5867	4912	3762	0	0	0	6353	5489	0	7156	6961	6819	6422	2771	0	5033	3064	2871	9267	4026	5653	7985	2690	4654	2703	2644	4180	3527	10024	1244	1648	0	5612	3589	6103	3201	4455	0	4149	6559	79084	5661	2852	3925	1975	3614	3529	7999	4495	3916	12208	28784	17444	18583	7401	5138	0	5908	6386	3728	1933	3300	6255	5658	6364	0	7259	2957	0	5264	5155	Peptide	0.3888889	1.3333334	0.22222222
28	C21 H28 O8	409.1857	409.18607	-0.22323288	409.1856	21494	16640	16538	14787	14999	14197	11394	22810	15234	34013	13484	11773	27541	11636	21832	21326	13818	18890	25259	38533	31897	14138	24021	22467	17379	19053	11112	16005	17575	16882	18725	17086	18574	18674	31625	20693	24552	19859	14041	15091	12366	13767	2084	0	0	15536	10556	1457	21312	18177	17239	16165	13857	0	24793	12741	9194	24369	12904	6452	25947	10242	20462	15640	8885	22366	13479	11633	19678	40930	26983	15154	15545	23673	11647	20219	0	14331	18333	6061	10370	8783	12006	12426	14657	7492	20547	12346	13363	13107	19558	20866	23098	8678	13686	1987	18384	18836	8294	18503	18194	21006	13807	16792	9516	19160	8448	1644	13013	21845	Lipid	0.3809524	1.3333334	0.0
26	C21 H28 O8	409.1857	409.18613	-0.17300363	409.18564	38924	35067	38893	35556	31298	29981	19227	41083	46093	77944	24667	26238	66155	21655	32304	38651	25328	57405	58135	67670	68770	37429	33342	56334	30847	31581	17373	25723	38003	36042	37553	35981	41900	36885	71219	35795	47531	35971	25130	43761	26034	22169	0	0	0	33311	25148	0	40915	28735	41727	36703	31157	0	55923	42851	21904	44186	25839	16479	52285	22463	51630	40114	15585	38806	32814	24845	40726	76955	62467	41236	39197	41167	29426	38586	0	26562	36150	14665	32152	19430	25627	25591	45820	29931	28768	23418	28160	22636	37246	40734	59637	16348	28873	0	37916	39348	21797	39250	34505	38864	26316	42347	13812	33984	21893	0	25196	52879	Lipid	0.3809524	1.3333334	0.0
24	C21 H28 O8	409.1857	409.18607	-0.13918695	409.18564	141475	129535	118211	128735	110985	106791	58487	136323	128634	237909	91034	70979	214197	73212	115638	116971	55490	197419	189564	205823	205216	131218	118002	137870	89862	120134	57188	74871	121156	103989	115551	111086	136837	108184	258793	122915	181691	83496	69368	148875	83512	74553	5302	2444	0	120059	72897	1999	128076	94083	127484	134386	93727	0	194847	107343	64954	133122	115835	43811	137949	95439	188623	133874	46126	159759	89491	69672	113153	257715	171288	123353	114192	119789	67069	105181	0	92408	130475	46817	103312	65566	85674	78713	108706	70891	103794	66530	90971	67170	135954	136515	172262	63221	116230	3194	122710	135453	72305	103440	98441	116037	73433	128009	67271	116997	62772	2937	76079	200669	Lipid	0.3809524	1.3333334	0.0
20	C21 H28 O8	409.1857	409.18613	-0.09086606	409.18567	1405897	1434617	1366466	1226027	1022422	1071567	771724	1565137	1313626	2856634	996610	742931	1657295	706153	1390283	1198825	588372	1682401	1840592	2865221	2439142	1462921	1213396	1563306	1141044	1477134	672826	1035531	1585737	1308890	1312876	1334700	1631119	1258755	3045436	1276005	1838335	983276	595788	1751517	743098	894592	28977	7405	3907	1315006	711458	5805	1406644	1196615	1371594	1405745	951019	7785	1829565	991164	678521	1414135	1441806	468226	1264100	1043156	1623701	1375538	536611	1195956	919975	621093	1167544	2981409	1558459	1413796	1355327	1474744	768149	1243172	3666	1104971	1106268	534356	938110	620499	969136	908746	949576	727975	946986	714698	961331	648896	1512835	1655982	1812373	690726	1049889	12279	1351139	1449549	798899	760084	798437	1451444	887663	1554796	700422	1202791	767495	8273	844752	1790709	Lipid	0.3809524	1.3333334	0.0
16	C21 H28 O8	409.1857	409.1862	-0.13649334	409.18564	1064219	2242604	2222282	2173584	741515	626850	1601148	2574752	876392	3197508	929349	1547298	953027	469117	2165756	2509724	837808	997551	1313355	3741072	1685185	2054262	2124230	2767836	1791990	1400455	1485140	829152	2208002	2176386	2215728	1238466	2457518	1741646	3284296	2400356	2367800	1708696	1993066	2226914	1790706	667558	19318	5016	3555	1968246	785092	4056	2484834	2325872	2203674	2122322	749164	5674	1152990	735914	570071	2660368	1904804	724831	1197745	1407124	1077759	880102	468753	914917	755059	1805760	1101311	1974801	1649103	2233360	2255562	2542836	932336	2292760	2743	1691120	1124276	590937	908872	1357428	1928744	1594414	850275	577112	1046610	1233444	736171	1079772	935202	2199042	1540151	1175094	1787140	9268	2275374	1110164	625880	710463	740134	2301162	1428856	2305584	503174	1143384	695180	5101	1795114	1040638	Lipid	0.3809524	1.3333334	0.0
26	C27 H29 S1 Na1	409.19604	409.19662	0.054370154	409.19608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15730	0	0	0	0	0	0	0	81660	1963	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9878	77848	0	0	0	0	0	0	0	0	0	0	0	0	4728	2463	54742	0	0	0	0	0	56514	0	0	0	Organosulfur	0.0	1.074074	0.0
6	C20 H28 O7 N2	409.19693	409.19754	-0.21182394	409.19684	44119	51009	44695	46507	20434	22285	31010	58111	23052	71641	28097	23005	28787	12018	43563	54838	27829	34921	42443	72331	66966	78980	33900	56893	38447	16276	26636	26113	51664	48030	52025	54556	64182	47302	84287	49309	62640	32603	39349	54765	43834	19633	0	0	0	50705	43325	0	62290	40551	46388	47370	24067	0	43718	13913	14128	63438	33085	20361	61076	34490	25962	24275	12119	29964	28689	41175	13529	40311	26737	49051	42694	43674	25805	39868	0	29050	31933	32990	25092	22927	28575	32095	19365	17616	34683	21360	28599	59038	72292	83573	94802	37279	61176	0	48819	42804	12648	13666	15242	51567	25613	67946	22160	49142	16969	0	31092	32814	Lipid	0.35	1.4	0.1
4	C20 H28 O7 N2	409.19693	409.1976	-0.20122573	409.19684	18733	22369	20476	17968	8660	10833	10683	25519	12361	22595	14338	11412	17062	6571	19744	22014	16388	14723	18556	26230	24667	31928	16833	26723	18657	8478	11821	9458	21669	18044	19469	19923	26522	17608	31522	25350	23021	16073	21195	24346	18045	11733	0	0	0	23588	19133	0	22436	19765	17000	18833	10604	0	18432	9052	7489	21174	15058	9276	22635	15175	12281	15258	4814	13074	11711	19364	9355	15442	14428	19239	18034	19551	11122	15200	0	16157	16250	19235	14053	10630	15563	10578	9277	8297	16139	9159	11624	23269	31223	31242	35918	16249	24863	0	15874	24025	9033	8715	9310	21270	12898	34128	13793	19236	10421	0	13576	14490	Lipid	0.35	1.4	0.1
24	C25 H28 O5	409.20096	409.20135	-0.14309514	409.2009	143207	141135	131109	133149	131455	88722	62765	119983	102026	175177	260519	74626	123212	87243	90260	132291	94428	120477	164210	248141	251366	123452	104225	139822	96398	677762	58661	217530	109948	108900	95388	107418	125205	100202	225956	111131	131467	81225	98193	209535	228408	85674	4641	0	0	129878	130491	0	107467	105469	137803	138796	116142	0	105997	95782	71607	117748	89386	82661	137128	135901	115874	89982	57814	138987	133170	104510	559442	460973	653093	97956	98203	84154	77853	93215	0	72805	140072	117960	98148	99238	91997	162987	129485	81915	137724	90927	105431	126690	106666	90615	170243	127558	138231	0	147471	145386	93205	115899	118682	135643	74949	147065	95702	123571	98211	0	98202	111796	Phytochemical	0.2	1.12	0.0
22	C25 H28 O5	409.20096	409.2014	-0.1770445	409.20087	157531	165852	148327	150965	151421	100159	93893	143058	123388	186550	221802	89296	97500	92260	113031	164731	142769	117929	146075	232730	232198	151594	119734	160147	113777	605824	83732	186775	123125	130304	111505	133503	156443	120097	203702	125400	144430	102822	155595	191897	247807	104568	2994	0	548	126974	146082	0	118255	127311	156340	149557	122341	779	108043	103613	83939	154093	101712	113170	157211	122490	123575	100648	69540	122884	126455	160976	482088	477006	690647	101135	100958	105715	103340	132357	460	94409	177238	117614	138763	100035	106667	148792	136392	92478	174610	102662	105558	174845	139568	149530	175194	117144	148186	0	140712	159702	118987	125879	122825	161690	90035	164016	87298	139187	119978	0	118227	126522	Phytochemical	0.2	1.12	0.0
28	C25 H28 O5	409.20096	409.20135	-0.20842022	409.20087	10604	10001	8874	10123	10955	6002	4778	9718	7493	12735	14973	6613	15103	8302	5915	10857	8642	7376	13999	13601	12484	11932	7845	9587	7163	33336	4703	15030	7853	8949	9010	7858	8797	9111	15567	9623	9548	6461	8176	10776	15065	6938	0	1259	0	10629	9511	0	8593	7402	8993	9138	11579	0	8657	9780	6289	13243	5919	5882	10749	6641	9712	7401	4006	14173	13727	11749	35645	26420	42129	7683	5931	7646	6192	8456	0	6202	10627	9053	6863	8463	6464	12188	11555	7349	14192	7823	5482	12331	8540	10363	13494	9228	6041	0	12054	10769	8164	17712	20091	10560	6083	10619	6803	9862	10676	0	7228	9077	Phytochemical	0.2	1.12	0.0
14	C25 H28 O5	409.20096	409.2014	-0.3337407	409.2008	9860	6733	3826	7312	3639	2124	10339	7797	3903	8157	5535	7159	0	2010	9624	12779	13138	2635	4309	9589	5697	5371	5043	11185	7453	9707	10302	0	4440	7104	8579	8628	9169	4204	0	10957	5344	8905	16373	5957	6884	3291	0	0	0	4610	11107	0	7941	13762	5804	9288	2124	0	2523	2144	4251	5562	5797	12343	0	4360	2723	2442	4202	3055	2057	10619	0	8099	6812	4320	7703	8410	9189	7524	0	5068	14301	0	10905	7838	11301	5267	4711	3246	9612	4973	4241	25524	9504	8135	9841	7778	6668	0	9506	6220	3047	4407	5354	6875	5271	7426	0	8895	4493	0	9790	1624	Phytochemical	0.2	1.12	0.0
26	C25 H28 O5	409.20096	409.2014	-0.16333294	409.2009	62749	56626	55509	52360	61496	32306	22727	53784	50328	70285	100306	28687	60383	35607	34448	45892	36417	47896	70565	100196	104811	56225	35282	64957	44555	271535	20925	104481	44414	51213	43191	44856	51118	38494	92293	55910	60081	30797	40673	76492	89541	38533	0	0	0	60875	52229	0	49773	47252	53059	56148	50005	0	53439	47957	35547	54417	35210	28446	60651	55348	52018	42596	23283	67918	72180	43977	259642	171704	221622	42808	41151	50905	28130	42229	0	33554	54726	59144	45382	44261	42410	87696	61150	34812	68269	40866	42245	48533	48898	42131	72322	63245	54685	0	55839	64668	41055	63538	63776	64224	29938	60275	44169	43121	52885	0	43884	44579	Phytochemical	0.2	1.12	0.0
8	C19 H28 O6 N4	409.20816	409.20865	-0.26265225	409.20807	8369	7290	4075	4092	2007	2913	3816	5871	1422	2004	3199	1978	0	0	3881	4697	3183	1403	1998	2841	2558	7297	4086	4728	4518	0	3691	8446	5868	2936	2869	4486	6066	4741	2072	5408	5292	4282	4593	3331	2988	2680	0	0	0	3236	0	0	2811	2893	4821	5337	1181	0	1692	0	1048	4776	1844	2213	0	0	1101	1226	0	1662	1575	4315	0	1459	0	5109	1998	2951	2514	4078	0	2866	3166	119695	4100	1609	2182	1778	986	0	3797	1918	2384	6347	78934	18248	12221	10687	5065	0	7308	3403	0	1164	0	5209	2628	5238	0	4567	2165	0	4420	1487	Peptide	0.31578946	1.4736842	0.21052632
0	C19 H28 O6 N4	409.20816	409.20865	-0.27737287	409.20804	0	0	0	0	0	0	0	1576	0	0	0	0	0	0	0	0	1723	0	0	0	0	0	1237	0	0	0	0	10182	2174	0	0	0	2188	1798	1081	0	0	928	1162	0	0	1130	0	0	0	0	0	0	0	0	1616	0	0	0	372	0	0	1782	0	623	0	0	0	0	0	0	0	1571	0	0	0	0	0	0	0	0	0	0	0	14294	0	0	0	0	0	0	0	0	0	2329	30586	5029	2647	0	0	0	2351	0	0	0	0	0	0	0	0	1718	0	0	1280	0	Peptide	0.31578946	1.4736842	0.21052632
4	C19 H28 O6 N4	409.20816	409.20883	-0.19565925	409.20807	4565	5231	4143	4935	1374	4831	2319	4196	1684	2415	2566	2152	1338	0	3677	6476	5705	2626	3039	1947	1353	3438	3441	6412	4828	304	2251	25424	3927	2513	2950	3852	4795	3186	2872	2741	4391	3682	8757	3209	1616	1285	0	0	0	1658	1158	0	3771	2987	5573	4425	1744	0	2117	924	1110	6234	2186	1599	4183	1521	972	1120	0	1827	1354	15300	0	0	0	3799	1704	2164	1964	2295	0	2633	6189	139845	5619	1145	2107	1009	1496	1448	5220	2238	2057	8526	87509	29534	8963	10188	4116	0	4529	6454	1106	421	1036	3936	2274	3372	0	5201	898	0	3359	1543	Peptide	0.31578946	1.4736842	0.21052632
6	C19 H28 O6 N4	409.20816	409.20868	-0.27965787	409.20804	9944	11310	8916	8303	1623	13044	3847	7271	1518	4161	4554	3209	1327	962	6790	10670	7702	2058	2675	3388	2939	6773	3691	7463	7881	0	3931	44367	6778	5329	6930	6288	6780	5677	5159	4135	6823	7288	7363	4146	3785	4493	0	0	0	3413	2187	0	5455	5080	11595	8625	2138	0	2952	554	1025	10891	2240	2623	9155	3248	2378	0	1617	2771	2225	24244	0	1833	0	5230	4909	4037	2396	3812	0	3022	7213	323477	6658	1783	2978	1884	1186	1863	7333	2570	2926	11184	203799	76773	13278	27110	6031	0	9838	8852	1456	1267	969	7897	4053	6441	0	5914	738	0	5436	2376	Peptide	0.31578946	1.4736842	0.21052632
10	C19 H28 O6 N4	409.20816	409.2086	-0.2994496	409.20804	3548	0	2551	2343	793	1390	1698	3146	1195	0	0	1694	1702	0	2852	3908	2445	2198	2331	2576	0	3445	2830	4445	2564	0	0	0	3906	2853	3421	1804	4331	1870	2185	2133	2998	1961	3807	1743	1560	0	0	0	0	2962	0	0	1993	2076	2143	1943	1649	0	0	0	0	4717	0	0	0	1972	0	1104	0	1791	0	3881	0	0	0	3332	2572	2750	2530	0	0	2007	1962	23489	1944	1706	2243	0	1439	810	3316	1706	930	6335	35798	11243	7132	3315	2505	0	2039	3997	0	0	0	4344	1705	0	0	3942	1207	0	3194	0	Peptide	0.31578946	1.4736842	0.21052632
2	C17 H32 O9 N2	409.21805	409.2189	0.05541766	409.21808	8552	8040	6860	7616	4864	0	0	9240	3036	0	0	0	12208	1872	5584	375	3376	11740	7432	0	660	3412	3804	10884	0	0	0	28050	8808	9172	8088	7880	11277	26604	0	5596	10476	4148	6584	541	489	0	0	0	0	2424	383	0	15700	4520	4796	7744	3296	0	4348	2952	0	8308	1608	0	3724	305	5464	3668	0	16136	4388	8784	0	0	0	38475	27064	8892	0	8324	0	4796	3316	123104	0	0	0	0	1728	1904	6072	6820	6276	7964	39288	7636	13384	9512	1596	0	5896	10100	0	4440	3716	4856	0	0	0	7776	3352	0	3164	11892	Lipid	0.5294118	1.882353	0.11764706
0	C17 H32 O9 N2	409.21805	409.21887	0.026906954	409.21808	1997	0	0	1764	1759	14385	0	1701	1785	0	0	0	4259	0	2008	0	885	3337	2519	0	897	1660	1655	2263	0	0	0	20970	2739	0	3193	1746	5932	8667	0	4448	4512	1013	2129	0	0	0	0	0	0	0	0	0	2254	0	0	0	2333	0	1356	576	0	2129	546	0	0	0	3782	1746	0	3479	3723	1341	0	0	0	8566	5107	0	0	0	0	1265	1040	41894	0	773	0	0	807	0	870	3266	2375	1471	36172	15099	0	1601	0	0	0	2063	408	542	0	0	0	0	0	2992	832	0	0	8368	Lipid	0.5294118	1.882353	0.11764706
26	C22 H32 O7	409.22208	409.2225	-0.17964771	409.22202	64582	58120	54612	52895	58643	52680	48401	63666	63431	80131	34298	31265	91337	54107	58493	61137	27448	98762	120639	106378	83567	65147	46828	62869	58088	40232	44080	44147	83065	63377	64259	64690	87449	60521	103975	75982	113348	40925	39910	60121	31751	39914	0	0	0	43321	21039	0	68391	51816	60914	59390	53124	0	93001	58443	30359	69722	61071	20081	69983	32421	83293	62634	25323	70628	70836	39172	48003	107836	75616	58075	57810	59197	37210	56239	0	46643	51404	23180	36099	28490	50429	40603	52502	33879	54823	36963	50875	40516	84235	96506	93074	27223	53990	0	59699	60725	31570	55641	50215	83707	34762	70770	37208	48683	33684	0	39623	79845	Lipid	0.3181818	1.4545455	0.0
22	C22 H32 O7	409.22208	409.22247	-0.17046267	409.22202	577080	608775	549857	602369	516057	533613	521750	640404	563677	946436	427092	298299	604377	357051	564432	553057	349920	845527	858494	1043822	941793	621814	493351	602173	571651	524987	424448	463235	783910	595426	592207	688804	861119	594368	1022307	721980	942391	455944	378920	560437	289703	394939	17462	0	2237	490163	268440	0	655679	500629	597270	580234	470574	4721	907720	524773	333535	667645	550276	225918	622205	378278	697122	605671	267370	615797	516413	373621	363594	1037452	548374	528352	514015	629968	364231	590700	2270	452162	461626	245410	380184	290727	567938	392138	494313	396884	486577	370865	520858	327581	774119	813136	705210	296778	496548	5889	558588	598038	351131	470811	436028	865716	369675	690835	327889	561947	421633	4135	364812	776500	Lipid	0.3181818	1.4545455	0.0
24	C22 H32 O7	409.22208	409.22247	-0.15879	409.22202	317348	304267	283738	294590	249913	253772	198857	302425	317093	533128	192590	131691	426512	187579	274769	242911	128026	469409	577847	586924	470813	320005	221856	277561	266599	240811	168257	208592	346241	282897	287163	332926	414661	280826	654481	360881	581918	198552	146641	331068	142233	186697	7200	0	0	263114	125138	0	334667	231397	296549	294335	246800	0	527841	267159	145297	331764	319942	87791	302805	211558	410811	321033	132938	386095	267557	148176	180298	550242	257794	264011	287656	308658	150794	266793	0	221718	219096	126471	177496	149979	235739	189395	234583	181599	243015	160353	261427	153098	425987	466429	424811	151832	309416	2076	323433	314765	157709	221881	211060	386315	158935	359780	177976	284730	178362	0	173212	434749	Lipid	0.3181818	1.4545455	0.0
8	C18 H33 O3 N4 S1 Na1	409.2244	409.22495	-0.37604457	409.22424	1867	1351	0	1839	0	1978	1544	1290	0	0	0	1142	0	0	1315	1219	1451	0	901	1122	1011	0	750	0	1404	558	728	8958	1375	1420	0	1541	1487	1043	0	1599	1076	1246	2492	0	871	644	0	0	0	0	0	0	1188	0	807	1405	0	0	0	576	0	0	0	0	0	0	0	0	0	0	0	2366	0	0	0	1189	1026	1325	0	1764	0	639	1368	17945	1754	1028	791	0	0	0	1314	0	976	1402	25303	0	0	0	0	0	0	0	0	614	0	0	0	2251	0	1904	0	0	0	0	Peptide	0.16666667	1.8333334	0.22222222
14	C19 H36 O7 S1	409.22546	409.22565	-0.70227045	409.22516	0	0	0	0	2152	0	0	3782	0	2886	0	0	0	3796	0	7987	0	1733	0	0	1535	0	0	0	0	0	945	0	2386	1282	3528	8194	2796	3703	17229	2675	1556	0	0	2650	0	0	0	0	0	2223	0	0	6011	2154	0	0	1159	446	0	0	0	0	0	0	0	0	0	14491	0	0	0	0	0	0	0	3875	12669	8027	2491	0	0	0	0	0	0	0	0	0	0	0	0	0	1792	0	0	2250	0	0	0	0	0	0	0	0	0	0	0	46057	0	0	0	0	0	0	Organosulfur	0.36842105	1.8947369	0.0
8	C21 H32 O6 N2	409.2333	409.23386	-0.20952958	409.23322	8221	12681	8155	9235	4793	4727	6837	12950	3180	7990	3444	6962	3878	3161	10874	13463	10422	4328	6918	13355	8206	15106	8379	12171	11016	3778	7263	9718	11677	9783	13143	11644	14422	11411	12245	11587	15602	6575	13066	7810	4753	4751	0	0	0	9483	4759	0	18501	8515	12332	10460	5197	0	4435	2182	2437	20449	0	0	13545	3612	2860	3567	0	5464	5627	13939	0	7432	2582	12474	13493	8298	8106	8823	0	7137	10430	3752	8435	1039	2880	5457	901	0	10951	5488	6564	21773	31702	15925	27137	5045	10218	0	12118	10916	1831	1978	0	12297	6133	13370	0	14290	2837	0	8160	4368	Lipid	0.2857143	1.5238096	0.0952381
24	C24 H33 O4 Na1	409.23492	409.23492	-0.3863969	409.23477	0	2622	0	1646	5806	0	0	0	0	0	0	0	3334	0	2852	3042	2996	3128	0	0	0	0	0	0	0	2394	2370	0	4722	0	0	3156	2822	3240	0	0	2250	0	4074	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1983	0	2230	0	3600	0	0	0	0	0	0	2508	0	0	0	1402	0	0	0	3156	0	1249	4186	0	0	0	0	0	0	10748	3598	11475	1251	6384	8870	38752	3770	0	0	0	2582	0	1920	0	0	3126	0	2043	0	0	5998	0	1886	0	Lipid	0.16666667	1.375	0.0
18	C26 H32 O4	409.23734	409.23773	-0.25212038	409.23724	7883	11247	9589	13799	8215	2659	18012	11586	7610	6709	5802	10276	4799	5359	8915	21536	33346	3582	10056	3410	3283	6428	14852	13316	10975	9757	10681	6605	8158	14875	8889	11437	14867	5369	6568	17666	9321	15110	30461	9557	10756	5303	0	0	0	5956	6656	0	12094	16654	11049	14470	9442	0	9172	9913	10745	18867	4494	17267	12392	0	8502	6677	5705	4969	9821	42251	9471	6995	17969	3684	7747	11788	24251	18488	0	6711	25576	6008	20542	5335	12001	6587	21107	11146	23250	7587	7609	33377	14179	12047	15798	6734	5376	0	10661	13962	8386	13300	14501	17801	10104	13108	3336	10871	8699	0	17378	2330	Phytochemical	0.15384616	1.2307693	0.0
8	C20 H32 O5 N4	409.24454	409.245	-0.16381596	409.24448	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1358	0	0	0	0	0	0	0	2283	1159	962	0	0	0	1056	0	0	1576	1215	3010	0	1285	2385	0	1157	0	0	0	0	0	0	0	0	0	0	0	0	1344	0	0	0	0	0	1269	0	0	0	0	0	0	0	0	0	1905	0	0	0	0	885	0	0	0	0	713	0	6964	2720	0	0	0	0	0	0	0	0	2403	66438	6796	1702	0	0	0	0	0	0	0	0	0	0	0	0	892	0	0	1111	0	Peptide	0.25	1.6	0.2
6	C20 H32 O5 N4	409.24454	409.245	0.040949605	409.24457	0	634	1566	1631	0	778	482	0	0	0	0	505	0	0	946	0	0	0	0	0	0	0	0	0	1166	0	0	3158	1089	0	0	892	0	0	0	0	979	0	0	0	0	0	0	0	0	0	0	0	0	944	615	0	0	0	0	0	0	956	0	0	0	0	0	0	0	0	0	985	0	0	0	0	0	0	0	0	0	0	597	9738	0	0	0	0	0	0	0	0	0	1571	36763	4180	0	1355	0	0	0	1260	0	0	0	0	0	0	0	0	0	0	564	0	Peptide	0.25	1.6	0.2
2	C20 H32 O5 N4	409.24454	409.2451	-0.016489683	409.24454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	328	0	413	0	0	0	0	0	0	0	334	0	0	3920	0	0	0	0	843	0	0	489	0	0	468	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	399	9687	353	0	0	0	0	0	784	365	0	1121	25827	5756	1326	1836	0	0	0	0	0	0	0	0	0	0	0	0	0	0	502	0	Peptide	0.25	1.6	0.2
18	C23 H36 O6	409.25845	409.25885	-0.25127646	409.25836	8107	9741	6096	9244	3513	3258	23472	7885	4288	0	2976	7358	5806	7577	4657	13887	28432	3952	7936	3113	0	6488	2074	7748	10760	5384	21402	6884	7665	10658	10027	12227	11968	4991	3381	12288	12048	9320	26127	0	0	4887	0	0	0	1489	3946	0	15115	6345	10312	5873	9448	0	8337	10134	5918	12368	2020	6980	13717	1016	8362	4754	6685	5286	7921	24671	1862	1485	2833	3861	7125	14522	21818	13438	0	3908	12558	6225	7452	2370	18284	17279	15054	12378	15839	6113	5961	19022	9638	8001	14502	1938	3017	0	7539	8455	3439	11951	21504	15771	4915	3716	2363	5557	10389	0	11099	6015	Lipid	0.26086956	1.5652174	0.0
26	C23 H36 O6	409.25845	409.25888	-0.18564092	409.2584	89383	80630	88020	77411	77890	50412	181936	75807	75611	71674	64267	36921	96095	74639	59958	72105	55864	100339	152092	109982	87582	68321	41786	58062	88936	53709	155085	97089	125059	99813	83165	116523	141604	80071	109565	116732	142357	62503	66846	82304	56777	66456	4696	0	0	60971	39090	0	118090	65130	84774	84410	79908	0	121419	81738	52691	94398	130459	47728	83727	87373	84097	76439	64318	122024	129184	67347	45135	81752	52927	55791	71796	90812	74701	89952	0	55699	52083	85701	36028	64601	128752	87682	71479	61430	84989	56010	80562	53397	162264	178792	90400	64025	74680	0	82373	98404	49214	75733	85047	157598	40394	134163	156386	56081	70278	0	60160	73639	Lipid	0.26086956	1.5652174	0.0
20	C23 H36 O6	409.25845	409.25885	-0.24072225	409.25836	26679	28099	32981	29279	24428	19988	90186	22629	19635	18125	16151	21296	21311	31564	28755	47267	56341	29587	30592	12916	14338	18195	14628	22156	25621	27798	76781	20273	36457	30398	27117	39157	41353	28884	18226	40231	40957	27451	61657	7075	16561	23741	0	0	0	10555	14141	0	41752	28168	30339	31480	26342	0	32366	34202	20152	43511	13135	19673	32888	6056	23371	24855	24120	39647	36984	56142	8666	8844	13927	22268	30164	39298	53909	31407	0	16709	35258	22838	21931	17001	100741	83310	38851	38711	51262	17157	31435	56845	40144	33930	29854	11715	12126	0	35130	35130	22024	43199	48862	47062	19412	22239	11971	22609	35395	0	29960	20387	Lipid	0.26086956	1.5652174	0.0
22	C27 H36 O3	409.2737	409.27408	-0.2738931	409.27362	21026	22326	19121	22452	16051	7214	34692	20977	15199	3793	7800	21604	5589	16851	20028	26506	83772	7593	14775	4468	7894	8136	17789	12702	21988	9256	34348	8861	25479	36299	25171	27270	22893	11550	5602	33637	19143	23447	89344	3905	14065	11802	0	0	0	6247	10317	0	19980	32296	19566	19229	15380	0	17829	15951	17292	32389	9494	20369	22807	2539	5633	10973	17964	6290	13280	100488	11547	5849	15286	8104	10793	33974	61498	25326	0	17768	29826	13137	24782	5783	16524	5280	29756	26503	52664	9982	13670	79147	11049	20307	20538	4981	7649	0	17659	15306	17484	34185	25779	32780	19945	15195	6326	21668	23826	0	35853	7188	Lipid	0.11111111	1.3333334	0.0
28	C24 H40 O5	409.29486	409.29523	-0.25724116	409.29474	6415	6483	8994	8092	6154	2910	106731	5495	3350	4630	14293	3204	6048	17668	7337	8498	11435	3101	7289	6425	4764	4030	4903	4299	8289	8590	85616	26749	10866	8914	5073	7726	7454	7068	5231	11502	5281	6026	12105	4293	7399	7249	2613	1273	0	5194	5580	1617	6020	6888	7623	6981	5141	3514	7084	6002	7306	9627	50767	8133	12009	25604	7306	3602	15500	13443	17999	11772	7094	5205	3944	2720	5204	12768	4308	7440	4096	4206	5979	21174	3849	10273	13603	11698	7408	7848	13440	3733	6177	11582	19186	16908	7575	8150	6127	1538	7650	9543	4941	6398	8208	10609	4048	15321	36273	5325	5927	0	7811	2750	Lipid	0.20833333	1.6666666	0.0
24	C24 H40 O5	409.29486	409.2952	-0.23839125	409.29474	17729	19705	20328	17379	5739	6227	298255	6878	2985	5199	11741	4085	3058	59611	7106	13624	31078	3862	7489	3395	2137	5856	3196	2420	11265	30019	284491	23104	10288	8975	5641	15992	12966	8652	4213	16712	12436	7696	35797	1719	18556	9988	2330	0	0	3536	5506	0	15068	6819	21595	19499	20710	0	3813	9275	9164	17282	6644	17855	19840	5621	26080	2047	46322	25211	31587	28845	4738	8845	12304	4754	6830	14196	13857	10190	0	5285	10526	29687	5991	16422	76565	92719	5164	7725	24448	7875	10238	57557	27275	21042	17868	5110	5699	0	21280	21711	10254	4155	5934	17074	4526	18337	9976	7770	3278	0	12358	5559	Lipid	0.20833333	1.6666666	0.0
26	C28 H40 O2	409.31012	409.31042	-0.2697924	409.31	14041	12434	11638	9791	5850	6827	19147	19886	7192	0	3158	20684	0	9704	17579	21682	63737	0	5893	0	0	0	8026	0	17529	0	26901	4876	29091	74926	26664	23291	12915	8979	0	50751	8109	19459	70314	0	0	6493	0	0	0	0	0	0	22589	44153	14952	13392	8901	0	6136	8501	10300	21138	4480	6648	16352	0	0	4246	10952	2380	8243	89551	0	0	0	5072	11849	74630	56053	51451	0	14737	22089	9070	14429	2940	5697	2344	16331	16313	58406	4670	9477	62256	6763	4615	8051	4335	0	0	13663	12222	7876	20306	17809	31821	15436	0	0	8633	13492	0	23484	0	Lipid	0.071428575	1.4285715	0.0
28	C28 H40 O2	409.31012	409.31042	-0.2717454	409.31	5887	7045	7375	7861	4050	3160	15197	14126	4132	0	3903	10141	0	3189	6847	9709	29597	0	3662	0	0	1702	5721	2867	15115	0	15681	2767	16467	37629	12292	15669	7740	5331	0	27273	5590	13271	29424	0	1342	6354	0	0	0	0	0	0	10408	16981	5790	7008	3674	0	4272	6877	6075	12453	1788	2522	9782	0	0	2847	5504	1434	5250	37341	0	0	0	2928	5632	35352	16134	25260	0	6791	13693	4372	9288	1560	3403	2878	12958	8301	43420	2287	2410	32133	4616	3195	4245	3007	0	0	6537	5189	6042	17843	20861	14918	9426	3282	2404	6197	12532	0	13479	0	Lipid	0.071428575	1.4285715	0.0
24	C28 H40 O2	409.31012	409.3104	-0.25897664	409.31	3696	4009	4018	5787	2056	2301	9798	8575	1262	0	2065	11674	0	4014	4854	16182	58812	0	0	0	0	0	3347	2979	6319	0	9123	1262	10363	29558	9133	10915	6014	1965	0	21360	2522	11051	52610	0	0	1716	0	0	0	0	0	0	9864	21150	3474	4506	3019	0	1542	2513	4343	9575	914	2562	6090	0	0	0	5202	1454	4168	66168	0	0	0	1979	4325	29652	38628	23162	0	5968	6776	1650	5524	0	2494	0	4744	5625	22690	1730	2741	42149	2388	0	2913	0	0	0	6455	5008	3490	5692	7502	12484	6952	1863	0	4442	4629	0	9635	0	Lipid	0.071428575	1.4285715	0.0
26	C25 H44 O4	409.33124	409.33148	-0.27810296	409.33112	8888	7253	7265	8013	0	0	124690	24813	0	0	10323	3641	0	34589	0	13351	13743	0	0	0	0	0	0	0	0	12118	130190	18611	32445	68993	20041	25300	9492	13026	0	31301	6541	6103	16630	0	4752	8386	0	0	0	0	0	0	39904	29015	8890	7269	5191	0	0	0	4887	12555	0	6880	19934	3837	4926	0	35198	0	10399	18812	0	2408	2373	7100	8907	10184	21225	24937	0	2778	6013	11911	2738	7287	11708	18495	0	0	21258	3025	14899	33083	6579	4086	6221	2631	0	0	9814	6736	5809	0	0	13248	3458	8226	6643	3160	0	0	6266	0	Lipid	0.16	1.76	0.0
24	C25 H44 O4	409.33124	409.33148	-0.23190817	409.33115	1844	2756	1298	2760	0	0	14333	7477	0	0	1061	965	0	2969	1629	5785	10614	0	0	0	0	0	0	0	1561	0	14736	4456	7577	19742	7776	7368	1984	2708	0	13513	2627	1902	8785	0	0	2803	0	0	0	0	0	0	13460	5545	0	1564	1665	0	0	0	0	3029	0	0	2329	0	1367	0	3494	0	2856	15111	0	0	0	2324	3179	2925	18545	10299	0	0	1839	1754	0	0	873	1482	0	0	8904	0	4786	23318	1462	0	0	0	0	0	2138	1415	0	0	0	3594	779	1400	0	0	0	0	3076	0	Lipid	0.16	1.76	0.0
28	C25 H44 O4	409.33124	409.33163	-0.21200244	409.33115	3618	3535	4011	5299	2702	2379	63042	9987	1770	1745	12971	3782	3114	11804	6173	5180	5842	0	2738	3815	2866	3107	4987	3841	6695	12050	41699	17456	9317	16543	5418	7602	3324	6830	1848	10825	4046	5822	5275	2372	2558	3277	3287	3101	5880	2959	3917	3125	7769	10656	4027	3362	5336	5660	2905	4852	4135	3199	5136	4395	9561	2994	3166	2969	12103	2615	5153	4916	11616	1867	1633	3305	4287	7064	5797	5935	5031	3144	4483	14591	3610	4985	5045	7657	3100	3761	8732	2981	4000	8783	9149	8132	2872	4813	2802	3709	3594	6186	4038	1792	4359	4111	4809	8716	6864	2443	2204	3504	3843	1755	Lipid	0.16	1.76	0.0
12	C13 H8 O11 N1 S1 Na1	409.97885	409.9793	-0.88151574	409.9785	0	0	0	0	0	0	0	1639	0	0	0	1022	0	0	0	0	0	0	0	0	0	0	2001	0	10654	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2761	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1051	3151	0	1429	0	0	0	0	0	0	0	0	0	0	0	28388	0	0	0	0	0	0	0	0	0	0	0	0	5839	0	0	2057	0	Organosulfur	0.84615386	0.61538464	0.07692308
16	C17 H15 O9 N1 S1	410.05402	410.0546	0.031127183	410.05405	2800	0	2333	2073	3570	1943	0	0	3524	7876	4344	0	8660	1239	0	0	0	6184	3917	4196	7229	20119	0	0	0	0	1351	2361	0	0	0	0	0	0	10625	0	0	1347	0	6064	5755	0	0	0	0	2104	3281	0	0	0	3449	1755	1586	0	0	3318	1026	1735	1262	0	0	5743	3076	2146	1254	5946	1620	1620	2972	0	0	0	0	0	0	0	0	0	2107	12871	1057	2791	1338	2639	3614	1340	1950	1267	0	0	0	3866	0	21608	18710	0	2128	2121	1459	2436	4018	1730	0	0	0	0	3068	0	1110	6457	Organosulfur	0.5294118	0.88235295	0.05882353
20	C17 H15 O11 N1	410.07178	410.07236	0.017134024	410.0718	4618	3757	3159	2714	10421	4808	0	0	9084	2288	2279	1356	21664	3469	0	0	1489	9730	9051	0	2565	8345	3597	3805	0	0	0	0	0	0	0	0	0	0	2559	0	0	0	0	2743	5812	1593	0	0	337	3860	5728	783	0	0	2170	2012	7602	0	16689	16243	3993	0	0	1761	0	2989	12625	11620	4448	12795	0	0	1250	0	2346	0	0	0	0	0	367	1262	5289	7949	2138	1757	0	0	21091	5763	4943	2944	3526	1476	2439	2140	4494	12012	7242	0	4835	5049	7930	11178	13810	0	1227	1910	4210	0	6371	0	1217	24716	Phytochemical	0.64705884	0.88235295	0.05882353
14	C17 H15 O11 N1	410.07178	410.07233	-0.1426357	410.07172	44415	32193	39441	30513	75576	26430	0	6690	91311	27252	43680	18354	163341	27012	16818	0	16689	112659	92175	27639	62848	111231	33351	12930	9801	0	4026	0	6321	8043	6915	0	19014	6084	54618	0	18372	10128	10032	29154	55641	38358	0	0	0	16593	48207	0	4758	0	34770	29169	55194	0	132057	108279	35139	10227	15120	0	0	32682	185649	130365	36390	115095	35505	12042	0	0	12471	4731	4035	0	8772	3705	0	11532	25686	43419	25269	19329	5691	5493	92205	23652	22215	31377	33984	27822	0	17967	34845	166743	64977	0	47319	51987	60945	104859	92550	19416	17709	12099	0	21333	60561	0	6399	168660	Phytochemical	0.64705884	0.88235295	0.05882353
8	C17 H15 O11 N1	410.07178	410.0725	-0.07556752	410.07175	0	1712	1119	1247	4514	1285	0	0	7608	1388	2235	0	10051	0	0	0	0	3427	4853	0	4215	5918	1125	0	0	0	0	0	0	0	0	0	0	0	4236	0	0	0	0	1589	2034	1897	0	0	0	0	0	0	0	0	3296	1967	2682	0	6569	7799	2271	0	0	0	0	2150	20658	10698	1876	7604	1763	1120	0	0	0	0	0	724	0	0	0	0	1508	0	0	881	0	0	4608	0	0	2766	2476	0	0	0	0	5210	2283	0	910	2085	4918	9425	6249	0	895	0	0	0	3180	0	0	14959	Phytochemical	0.64705884	0.88235295	0.05882353
10	C17 H15 O11 N1	410.07178	410.07245	0.019320507	410.0718	6553	8267	5818	4804	12095	5662	0	0	15490	3263	5192	4016	22610	2032	0	2328	2186	9992	12225	4148	15326	16300	2787	0	0	0	0	0	0	0	0	0	1799	0	11616	0	2173	1290	0	4855	10391	5108	0	0	0	3255	6815	0	0	0	3711	5767	5624	0	17813	15931	4773	0	0	1548	0	5519	33972	16326	3935	16787	3287	1479	0	0	0	0	0	0	1988	0	0	1091	2715	0	1723	3709	0	0	13488	3674	2666	7684	4257	4618	0	1598	3298	17488	9461	0	4588	4499	10731	18166	17961	3031	1684	0	0	1525	8999	0	0	31475	Phytochemical	0.64705884	0.88235295	0.05882353
18	C17 H15 O11 N1	410.07178	410.07233	0.01987715	410.0718	6061	3347	7187	7779	16671	11954	2007	2545	16563	6654	5580	2000	41660	4791	2795	4864	1815	20451	16754	3739	5678	16291	9158	2418	0	0	1322	0	0	0	2039	0	2003	0	7956	0	2454	0	1793	2242	6723	4203	912	0	318	4412	12409	700	1912	0	5335	6279	14573	0	25050	15642	8336	2400	0	2116	4251	7969	40531	22766	6869	23051	8341	0	2580	0	0	1579	0	0	1697	0	0	2953	4589	17468	4844	5270	0	1340	25847	5752	6022	10364	3994	4727	0	2654	6116	21416	9079	0	8299	4648	8402	17944	25141	2753	1593	0	7371	3658	14962	0	1392	36682	Phytochemical	0.64705884	0.88235295	0.05882353
12	C17 H15 O11 N1	410.07178	410.0724	0.010092572	410.07178	10075	9027	10303	7229	21668	7063	0	2305	30153	7937	15056	5940	32316	4536	1925	1430	2973	24117	20535	5562	19190	23567	6443	2909	0	0	2514	0	0	0	1376	1315	7546	1871	22813	1396	3423	3778	4153	4511	27415	9600	0	0	0	7487	13240	0	0	1503	10953	8694	12770	0	33477	19418	7185	4241	0	7029	0	9402	65311	27918	9476	32226	9521	0	0	1849	0	1805	1589	1037	1232	1596	0	2915	6012	0	4824	5579	0	0	23785	4876	5886	11419	8819	8571	0	0	7445	49201	17284	0	11365	11183	17549	27750	24436	5412	2495	3087	0	4571	16568	0	1548	51667	Phytochemical	0.64705884	0.88235295	0.05882353
16	C17 H15 O11 N1	410.07178	410.0723	-0.05738589	410.07178	21208	25298	15738	21888	46054	17800	2098	0	55444	14478	14398	10264	114698	16170	7984	4188	6960	62574	55008	9362	39752	74608	15750	6932	0	0	4174	4532	3978	0	6688	0	7056	0	36686	0	9918	9070	10970	12042	36136	16992	864	0	0	10876	50010	746	4046	4724	12598	20212	32156	0	66938	51010	17764	5020	5054	6488	0	22888	106694	71138	17208	54224	20286	3554	0	0	4788	4396	2996	3000	4468	2780	0	5796	14700	34348	8092	8642	3574	2904	65380	20298	7844	20660	16852	0	0	10528	0	69830	37888	0	18970	32278	29464	56896	65539	6058	5560	4842	22716	0	32510	0	2054	115490	Phytochemical	0.64705884	0.88235295	0.05882353
16	C21 H15 O8 N1	410.08704	410.08762	-0.036694515	410.08704	5439	6607	3539	3760	6239	1466	1541	0	5157	22230	14399	1490	6861	2888	0	2170	2096	7347	7351	13831	15210	16129	1399	2516	0	19573	1235	5656	0	0	0	0	2818	0	23399	0	0	1328	0	12686	19045	2813	0	0	0	6693	12186	0	1877	1484	6342	5341	2198	0	6007	4626	1342	2493	0	2677	0	7221	8962	3916	3122	5054	1874	1241	35834	24166	43875	0	1247	0	0	0	0	0	2718	18836	3187	8168	0	11181	3601	2372	5489	1575	1698	0	0	0	0	18890	25590	0	5345	3838	4229	8008	3685	1812	1722	1626	6386	0	3318	0	0	4796	Phytochemical	0.3809524	0.71428573	0.04761905
14	C21 H15 O8 N1	410.08704	410.08765	-0.041620944	410.08704	4968	3641	0	3932	1975	1999	0	1312	2774	12894	9771	1314	4765	2078	0	0	0	3869	3158	4784	11080	5996	1056	0	0	15835	0	0	0	0	0	0	0	0	14072	0	2272	0	1362	5227	14501	0	0	0	0	6891	7065	0	0	0	2177	1874	1631	0	3411	4679	1434	0	0	0	0	5397	4880	2989	0	3011	1520	0	15129	19989	31788	0	0	0	0	0	0	0	1499	0	1566	3188	0	4003	3525	0	0	2538	1475	4161	0	2247	0	10863	8737	0	3855	0	3819	2025	3709	0	0	0	0	0	2195	0	1289	3345	Phytochemical	0.3809524	0.71428573	0.04761905
18	C21 H15 O8 N1	410.08704	410.08752	-0.020885566	410.08704	8697	6146	6926	7094	7086	2710	1340	0	5767	28924	16149	1372	7673	4302	2661	3655	2186	5630	9309	12587	18468	15097	3294	1421	0	23464	1414	13601	0	0	0	0	2341	0	29077	0	3489	2049	3010	19161	25519	4436	413	0	0	11108	25480	0	0	0	6464	9891	4455	0	5528	5105	1909	3083	2137	2655	2446	13307	10555	8575	2259	5783	5265	2602	25116	29395	51969	0	0	0	0	0	0	1082	5732	23460	3826	9317	1295	13366	8918	3046	6035	2710	1751	6934	7832	4191	4052	30570	30428	0	6033	3366	4402	7135	6284	3161	0	0	5785	3388	3291	519	2717	6277	Phytochemical	0.3809524	0.71428573	0.04761905
6	C18 H19 O10 N1	410.1082	410.10883	-0.084727675	410.10812	18430	24959	17224	17921	19951	9117	5845	16209	29329	37228	33861	15109	42463	9049	7213	14633	14719	27456	29664	23172	47952	35226	15169	14180	2913	5904	5621	5393	10799	9025	12578	12463	16718	9852	45533	9962	14940	10644	20199	17374	38927	14305	0	0	0	16097	35760	0	14566	12483	20914	18475	17859	0	34515	25146	12881	12443	8486	18424	15096	18549	52428	34467	14666	28856	16081	22024	18092	8237	19585	11453	9478	9097	8314	9023	0	7194	14400	12883	8961	9958	5613	5864	28549	12255	12438	17871	13482	22915	6293	11936	22127	30358	23964	0	16404	19733	20032	28062	28004	16540	8752	14743	20372	14476	22112	0	5395	52725	Phytochemical	0.5555556	1.0555556	0.055555556
20	C18 H19 O10 N1	410.1082	410.1086	-0.12168832	410.10812	29533	23711	30928	24336	35143	35476	6889	14480	43479	53343	24201	14051	85329	23352	19780	16431	7891	69971	52181	36608	48419	56546	25339	21718	14076	11494	9284	10366	14263	9069	9208	8346	17859	10297	48758	9115	25535	14084	8084	28546	34838	20274	2853	1168	880	41545	65825	1188	10696	10058	32054	32271	26180	847	60731	40602	18211	13553	14345	9458	19910	36545	64499	51746	18257	45578	26226	12525	27679	12860	23480	13774	11877	11316	9773	7006	901	13092	21346	44076	16329	33812	8563	19439	44988	25048	19329	19957	21809	10512	10475	15180	35278	49473	47663	720	30545	24408	26852	25657	35447	23712	13441	14180	41213	21422	36299	795	7708	70852	Phytochemical	0.5555556	1.0555556	0.055555556
8	C18 H19 O10 N1	410.1082	410.1088	-0.07988339	410.10815	57714	64578	48707	63731	48371	28662	17726	34206	67972	119658	98503	36033	102064	17432	30474	44777	47002	67847	78537	90708	140867	113501	42273	43343	12044	18256	21368	34920	26101	29078	30846	33361	45715	27860	153167	29203	41777	25398	45940	80618	155985	35732	987	0	0	61026	127235	0	35409	33378	55633	62995	39002	0	89739	60544	30495	34574	32496	54311	33417	75728	132005	84597	31747	72266	35803	51649	58786	33119	72740	33217	30524	26874	33388	30966	0	23396	35157	45304	28285	36311	18935	29457	60526	31967	34036	42413	39858	54224	17523	35290	58824	105927	94365	0	55937	68305	62169	65255	62411	41829	27004	46007	62007	41552	48542	0	18864	113631	Phytochemical	0.5555556	1.0555556	0.055555556
12	C18 H19 O10 N1	410.1082	410.10876	-0.026248172	410.10815	143321	140763	138981	138031	108452	86892	59034	88101	168386	291625	197204	76615	222560	48495	76131	93381	111127	200143	190060	247275	330798	332882	110823	97750	38412	55568	49571	102152	65481	65289	72509	73764	132222	64832	451217	70032	95757	74535	97152	228157	350164	85866	3687	667	416	174710	295456	408	81746	78899	137834	140480	96994	494	212128	129195	67718	91954	108801	105650	80055	227780	287335	183418	60359	163977	94275	98748	161933	100642	169165	79539	74398	67813	63895	64763	279	72896	88377	176564	78774	136379	48407	85856	134516	70115	76447	76305	89748	130656	60125	107941	125765	277222	216260	996	136031	166060	120384	108527	115448	111639	73543	93271	236892	91903	118680	0	50115	272034	Phytochemical	0.5555556	1.0555556	0.055555556
8	C17 H19 O9 N3	410.11942	410.12003	-0.12634657	410.11935	21590	25274	14935	22258	13653	10928	9722	21779	21912	22565	15035	21244	27529	5983	17497	22926	28291	24838	31521	19447	27181	43203	21735	23252	6083	968	11929	7372	13148	16168	18835	22610	22851	17157	27700	16330	25951	15363	28122	24869	35299	17794	0	0	0	19316	29942	0	18428	20975	25193	22715	15838	0	27393	14042	16033	17000	17695	22029	28196	19019	37567	29111	15775	24664	17132	34409	5222	4476	8083	18384	14772	15643	19602	17462	0	16209	18972	9354	14786	12046	9947	7735	17455	10689	18909	20237	21837	40000	0	24932	46685	22604	14176	0	20099	20371	14309	20583	15600	25266	17310	22578	16949	26882	14900	0	12172	40631	Peptide	0.5294118	1.117647	0.1764706
10	C17 H19 O9 N3	410.11942	410.11993	-0.12246787	410.11935	142075	224462	181073	220935	128239	103216	82260	208061	154485	394241	343502	186842	216912	34914	159166	143354	160938	190289	251638	294822	350766	287189	175439	161585	56062	160155	83005	108787	89984	136772	171961	183051	168481	162812	435661	138083	198390	137812	209244	254104	301711	83625	0	0	0	203513	315145	0	168873	172320	180946	218757	102755	0	239156	94056	72793	144582	148623	150994	123341	173708	243194	225283	81994	199210	105193	178572	242151	296245	406016	122628	145972	102170	94373	138153	0	141261	199456	129266	174158	156723	76507	120030	187616	75451	123210	158935	101279	177655	87869	201684	208019	120183	312261	0	245685	173244	116171	120181	98601	149539	92124	125011	148596	143371	106642	0	91412	216961	Peptide	0.5294118	1.117647	0.1764706
6	C17 H19 O9 N3	410.11942	410.12006	-0.09111135	410.11935	17169	16525	16181	18345	11942	7714	6877	15399	16570	12002	10993	12956	20851	3837	8750	17291	18907	17917	26401	12795	19406	21609	15455	18220	4611	0	6137	2584	12461	11797	11413	12744	20966	12795	19436	10181	16139	10250	21975	11868	27759	13313	0	0	0	14943	27925	0	16635	14942	15758	16253	12625	0	19753	10365	8374	17040	10276	18295	21212	11694	32686	18530	11209	18496	17375	20237	3811	3256	7680	12499	12507	8437	9115	9779	0	10470	9958	4934	9416	7697	5874	4405	15735	10260	11286	16778	15235	26679	5380	13722	29614	14605	11733	0	17330	15960	8317	15303	14429	17183	12484	16717	17793	21857	10596	0	8036	31797	Peptide	0.5294118	1.117647	0.1764706
12	C17 H19 O9 N3	410.11942	410.11996	-0.081792764	410.1194	12038	11596	10852	9736	8501	8256	4774	13315	9574	6382	10703	11153	9978	3041	9190	8410	12041	19794	15660	8316	10712	24722	14945	12480	8325	0	5949	0	8745	9186	10534	6029	13569	9160	12512	6144	11119	13700	19794	11122	19534	11962	0	0	0	12025	22541	0	9841	8080	15570	8616	10233	0	15387	7293	7391	9928	10969	15055	17813	10969	0	15865	6316	12031	11144	14648	0	4278	5715	12217	6961	6643	8431	6898	0	10592	12562	0	9119	7790	4878	3109	11359	7736	12450	10051	11443	22621	5999	20479	26605	14586	8159	0	13114	10611	6015	8100	7633	10589	11167	11114	0	16295	6643	0	7587	18546	Peptide	0.5294118	1.117647	0.1764706
12	C22 H19 O7 N1	410.12344	410.124	-0.07000263	410.1234	2839	3963	4256	2051	2757	2224	0	1422	3516	18970	14587	1253	0	2009	0	1536	0	2402	3042	10737	24396	5546	2620	0	0	37127	0	10945	2231	1207	1480	1337	0	0	22513	0	2581	0	2577	9486	19918	2343	0	0	0	10118	8382	0	1143	0	3657	3333	1509	0	2907	2945	1363	2598	0	0	0	7531	4130	3522	1883	4332	2200	0	34168	49798	64546	1605	0	0	0	0	0	1227	2492	0	2734	3679	1131	9859	2036	2264	2236	1707	0	0	3330	0	3328	11176	10759	0	3958	2380	3680	5338	2898	1944	0	0	0	3084	2987	0	1655	3367	Phytochemical	0.3181818	0.8636364	0.045454547
22	C22 H19 O7 N1	410.12344	410.1239	-0.06503197	410.1234	7323	9267	7749	8738	3743	4167	1331	2647	5563	34619	27595	2545	5662	0	0	3533	5564	6986	6662	15707	21448	15397	2490	1407	2622	37450	1555	28562	2424	1364	2147	0	2394	0	25029	3184	1699	2826	2481	20913	38770	4258	0	0	0	18116	31104	0	1664	1506	6136	7604	4106	0	4936	4472	2634	2524	2441	6078	3665	18775	4658	7117	3062	6641	4359	3683	47694	44888	61803	1250	1364	0	1452	2140	0	1207	3219	21775	4681	16833	3255	19060	9355	4645	3755	4801	2425	4998	6148	7543	7020	25242	28420	0	7787	5456	5220	3478	6217	0	0	2291	17345	4798	4144	0	0	5731	Phytochemical	0.3181818	0.8636364	0.045454547
24	C22 H19 O7 N1	410.12344	410.12387	-0.13631506	410.12338	4024	4238	2537	1958	1241	2024	0	1152	2534	9774	14977	0	2570	1280	0	1556	0	3330	2716	5231	9970	6374	1379	1061	0	12977	1113	8979	1702	0	1456	0	0	0	13617	0	0	0	0	11320	13587	1506	0	0	0	8142	16766	0	0	1187	3780	2077	1874	0	1403	0	1965	0	969	1326	1347	7282	2985	1498	1328	2215	1569	1390	18357	15972	32429	0	0	0	0	932	0	0	2349	11965	2357	12627	1605	4387	3673	0	1507	3143	1470	3030	5285	1697	0	9274	9610	0	3441	2562	2149	0	2126	0	0	1702	8506	1951	2606	0	1642	2721	Phytochemical	0.3181818	0.8636364	0.045454547
14	C22 H19 O7 N1	410.12344	410.12396	-0.07689144	410.12338	6645	7902	4302	5530	3075	2358	0	1731	4579	29319	20172	0	3976	3942	1948	2758	0	3502	5258	13424	27772	10659	2172	0	2774	47827	1655	13611	1766	1369	0	0	4375	1543	26638	0	2842	2308	2779	13503	24984	1384	0	0	0	10134	13032	0	0	0	4441	5145	3238	0	5010	2228	3447	0	0	0	0	10763	6731	4634	1679	6765	2542	2411	71314	53824	66437	0	1000	0	1299	1298	0	1422	3916	15744	1629	6204	1776	14526	5508	0	4492	3002	0	5967	2646	3487	3718	14878	18642	0	6652	6081	3728	5157	2902	0	1677	0	0	2484	4777	0	3405	4697	Phytochemical	0.3181818	0.8636364	0.045454547
18	C22 H19 O7 N1	410.12344	410.12393	-0.04646065	410.1234	15772	13135	14594	14491	9848	4739	4470	3668	9777	47969	52101	1616	12158	8035	3560	10145	2885	8551	10046	34922	43029	25996	3201	5138	3876	74742	3628	38475	4514	2148	2039	2502	5514	5926	51143	2652	7928	3458	5147	30671	46525	5234	0	0	0	20031	29869	0	2993	1960	15762	13800	4200	0	8112	6706	5444	4951	4323	7869	9419	21500	11082	8693	3835	10802	6891	5817	70206	89273	136125	3220	2506	1670	2843	0	0	3056	9897	38058	5677	16734	1888	25082	8836	6467	4729	7748	5697	9624	14004	12618	7699	32755	40929	0	14799	10990	9571	6754	7661	7057	2249	7688	13233	3041	9946	0	6504	9757	Phytochemical	0.3181818	0.8636364	0.045454547
20	C22 H19 O7 N1	410.12344	410.12387	-0.102223404	410.12338	14875	12615	9988	9584	9745	3828	1165	2458	8364	56007	49848	2006	9013	6203	2592	4864	4849	11257	12729	31178	44820	25284	4549	5826	2371	65267	2284	37064	2692	2801	3559	2719	5968	2101	48454	1597	3516	4006	2320	32771	47843	5055	592	0	0	20873	42921	0	2662	2029	16774	13087	9003	0	8368	3329	6270	5315	3910	7004	2842	23154	9670	8064	7122	11252	7732	5814	63487	75765	113753	3081	0	1522	2974	3198	0	3407	7996	36332	4956	15918	4135	23973	11319	4851	11435	5280	4787	11156	10170	18316	8319	40026	32464	0	14319	11729	6712	7155	7980	3840	3218	6565	17122	8038	7879	0	5371	10936	Phytochemical	0.3181818	0.8636364	0.045454547
16	C22 H19 O7 N1	410.12344	410.12393	-0.060164858	410.1234	14770	9490	12011	9411	5774	4943	2066	2476	6325	38955	37141	1584	6079	6301	2338	3278	3322	4913	8044	31627	39236	20310	7391	3784	2009	62580	2363	23009	2832	3539	2423	0	2597	1373	45908	2352	4804	3485	3387	27189	31257	3812	0	0	0	14963	24941	0	4741	1209	11172	10994	7354	0	5952	5827	3565	2989	2376	5970	0	16021	10870	4246	2355	7621	4976	3495	67193	82686	103914	1897	3323	0	0	2752	0	1439	3827	22953	3431	15438	3072	24407	6577	2854	7369	4465	2930	0	6070	5661	0	26429	36036	0	10058	8126	4305	7698	6766	4631	2041	2497	12675	0	6030	0	1126	8321	Phytochemical	0.3181818	0.8636364	0.045454547
10	C15 H23 O12 N1	410.1293	410.13004	-0.27349037	410.12918	0	3069	0	0	6941	5744	0	0	7040	0	0	0	22228	2994	0	0	0	9538	13454	0	0	0	0	0	0	0	1229	0	0	0	1543	0	0	0	2169	2217	0	0	1202	0	0	0	0	0	0	0	0	0	0	0	0	0	4935	0	14163	11676	0	0	0	0	0	0	15402	0	0	0	6083	0	0	0	0	0	0	0	2266	1093	0	0	0	0	0	0	985	0	7397	0	1594	0	0	1508	0	0	0	0	0	0	0	0	0	9396	11185	0	0	0	0	0	4901	0	1166	15921	Unclassified	0.8	1.5333333	0.06666667
10	C19 H23 O9 N1	410.14456	410.1451	-0.07832059	410.14453	278440	511698	454494	466204	128677	122720	145187	285689	175466	589639	277506	341048	236284	76708	338454	255807	347306	226723	252310	546894	566954	819820	201986	578204	114064	242867	140344	189254	426786	451008	415602	460042	266706	416616	1424500	471608	249338	153771	399710	461496	411774	130280	5641	599	428	345624	357817	546	479762	449446	249126	249273	129732	1214	253435	128006	85361	244845	253888	218336	254165	293108	233899	192011	82638	168767	143534	414128	327286	331657	348468	473704	444586	224474	166933	410614	0	158391	183540	191617	333152	438062	360598	206037	161090	111728	156606	128060	141412	413772	176984	244336	624220	248132	382509	1872	253551	275673	125271	119194	117390	484328	298844	318238	248761	412042	123008	813	257436	250112	Phytochemical	0.47368422	1.2105263	0.05263158
28	C19 H23 O9 N1	410.14456	410.145	-0.16476037	410.1445	6746	4884	7538	5398	4936	8096	2603	6841	6430	21817	5439	3108	11472	2954	5060	5808	4928	8905	7680	14151	17054	9863	7197	8745	4397	11593	2897	5566	5709	5249	5213	3673	5414	5244	16683	6209	6781	3398	4048	11254	7496	4383	0	1537	0	10028	9219	0	4340	5181	6921	6517	4633	0	5739	4909	2802	6147	6036	3374	5548	7891	9701	6071	3505	5129	3973	4170	16483	18462	18060	6490	4873	2544	5364	3836	0	3314	4222	4243	4177	5079	5706	8083	7669	3688	4086	4027	3571	3808	5812	6187	6125	5643	7002	0	7991	9317	5024	3619	6559	7183	3443	5222	6416	5220	2971	0	3427	8128	Phytochemical	0.47368422	1.2105263	0.05263158
4	C19 H23 O9 N1	410.14456	410.1453	-0.13628307	410.1445	14448	12825	12089	11693	10779	8353	4210	12990	13444	20354	17703	7094	20598	6025	7941	11539	12107	13352	29760	17750	24385	23846	8656	28802	5222	7226	5646	5965	6072	8866	8129	8715	12181	6469	30513	8595	11664	7429	16852	14319	22541	7629	0	0	304	12357	23990	0	9543	10145	13042	11421	9319	248	31786	13481	6665	10692	8706	13064	10072	9357	41102	25100	6890	15674	8244	14052	12432	7963	13046	7985	7271	8213	3357	7655	285	7292	10205	10039	7640	8399	6690	6530	14760	7238	7976	7556	10615	25184	7373	8623	31368	15587	17531	0	10920	14931	9743	17133	16455	12039	8093	14642	11783	10054	10143	0	4972	22570	Phytochemical	0.47368422	1.2105263	0.05263158
26	C19 H23 O9 N1	410.14456	410.14493	-0.19414355	410.14447	8887	5718	4907	4543	10295	6779	0	5771	5895	18051	5034	3324	13252	3512	0	0	0	12075	9092	15545	22141	8569	7198	8127	0	9360	0	4378	4899	0	4202	4974	5276	5551	16381	0	3077	0	3249	11370	11409	0	0	0	0	7459	10268	0	4579	0	4853	7254	7010	0	6436	6288	4267	5886	4055	0	4377	7581	9794	7651	2786	7248	3057	2049	12980	20361	18933	5858	4484	6427	0	2762	0	3026	4832	0	4273	6633	2532	5600	10204	0	2093	2946	4521	2471	2508	4104	7267	5637	14377	0	7555	8085	4658	7315	0	4783	4186	0	0	4094	0	0	0	15280	Phytochemical	0.47368422	1.2105263	0.05263158
2	C19 H23 O9 N1	410.14456	410.14532	-0.0835788	410.14453	4470	5718	5124	3782	6202	41484	2891	4566	7332	6094	8760	5394	12988	2753	3441	1285	6108	7965	6522	4978	11204	7369	4560	3159	1122	1603	0	2707	4009	2603	4178	3917	6062	3983	12299	3681	3481	3182	5980	5956	9562	6045	0	0	0	3411	5574	0	3830	2423	4212	4955	4846	0	7342	5033	3312	4496	3083	4601	1212	3679	12132	8588	0	8766	5716	5684	3889	3155	5121	4759	4319	3588	0	2966	0	2771	4773	4409	4412	3546	1910	1218	6349	3151	4214	4859	5481	8713	2050	3969	7617	7491	1556	0	4897	4357	4369	8388	7176	3884	3861	3639	3358	4395	4147	0	1968	10889	Phytochemical	0.47368422	1.2105263	0.05263158
6	C19 H23 O9 N1	410.14456	410.14536	-0.0807636	410.14453	104032	116850	88562	51926	59938	24579	25553	53647	91096	105293	68243	65476	68139	12560	35101	53134	43895	95024	121994	158154	250926	180682	76388	58183	16770	24680	25385	28261	81556	43713	42608	40293	51385	42590	255382	43956	45063	31839	111094	58107	197848	29062	0	0	0	52306	88891	0	102802	42457	109314	49530	65228	320	118766	39604	25342	83794	42257	106338	98332	51464	142856	47241	19634	103712	37860	60930	42921	41533	71727	41877	79570	36261	21038	36636	225	30358	35600	28834	30501	67808	60368	29820	41714	27644	35249	31642	35477	125034	27831	49724	145688	118200	71235	375	106956	104932	28461	39962	40198	113282	33519	61826	46065	89334	64478	0	25534	75329	Phytochemical	0.47368422	1.2105263	0.05263158
2	C18 H23 O8 N3	410.1558	410.15652	-0.15090317	410.15573	12012	14555	13207	13203	9775	0	8550	15546	10500	7098	8332	14705	16375	4777	12089	2617	16439	12945	14769	6321	14976	16685	14557	12349	4594	1322	0	7575	16025	8624	14382	12933	20654	11553	12252	11112	15675	10433	18806	9549	16245	10210	0	0	0	7549	10037	0	13098	8872	14786	12605	9855	0	13156	7365	7303	17925	7723	11732	5116	6717	17775	13424	7563	18176	13971	24281	2588	4095	4667	13563	13855	7961	1928	11374	0	9335	12533	17468	10059	6366	5725	3808	9990	6260	12776	13482	11379	33361	14227	14641	30113	12231	1679	0	14670	11529	7714	9380	8127	11895	12545	8402	6790	21701	6861	0	9509	18942	Peptide	0.44444445	1.2777778	0.16666667
14	C18 H23 O8 N3	410.1558	410.15622	-0.24072772	410.1557	14687	15392	16408	25399	8747	14458	19286	33885	11980	13145	10756	15350	10395	4899	22890	30930	24807	14044	14910	17698	13883	30298	25072	30534	24023	1667	13216	20060	26413	20498	19830	39503	26967	20389	16536	21228	25415	19836	27976	16478	18588	13235	0	0	0	17067	20688	0	18820	31430	19257	18879	10800	0	19220	4847	9470	25463	29824	13218	30279	13754	9280	8495	12781	12400	14033	24241	0	9222	3654	21442	23859	19040	19726	20372	0	20102	18540	0	17407	11027	17047	7520	9729	10827	23220	12766	14975	41359	38790	38241	58009	12976	13832	0	15605	19195	4352	5901	6370	30244	16044	29847	18859	25868	6732	0	18859	14055	Peptide	0.44444445	1.2777778	0.16666667
12	C18 H23 O8 N3	410.1558	410.15628	-0.20238398	410.1557	49544	44161	42603	41056	15552	21422	47316	62479	0	31564	19922	35832	25871	8571	53465	45547	47482	34235	39214	46349	34758	77845	53636	62514	41876	0	30641	38789	54333	38463	49509	44250	64097	39243	40182	52261	52081	47845	51140	49151	33578	27071	0	0	0	52244	36859	0	50687	49867	43182	41230	25012	0	33559	10244	18600	54181	73956	41651	58258	33807	21178	20815	14502	27041	29207	56642	0	16336	12003	43634	43830	43554	32331	42933	0	38694	41116	34480	36028	27386	35220	21967	16363	0	42804	23730	28230	80570	173398	128444	94971	33356	24692	0	41973	51757	14929	8636	11071	51490	40072	50186	0	67848	14328	0	39327	41414	Peptide	0.44444445	1.2777778	0.16666667
4	C18 H23 O8 N3	410.1558	410.15646	-0.16810283	410.15573	23101	26295	23562	23453	9493	7753	10282	24347	15187	16345	20867	16194	18049	6590	17722	22808	29886	16089	19933	18473	20958	32072	19141	29003	8961	2405	12144	23631	15614	14316	19060	18622	23926	16646	22025	18671	23369	16409	44583	17809	27096	11845	0	0	0	21986	31400	0	20895	20615	24124	21544	11136	0	19238	10801	9456	23178	15426	22788	22237	16239	22215	15973	10840	15749	12616	29758	6506	4998	9142	19056	15929	18832	9789	14305	0	12837	17187	67828	15709	13213	10680	7864	15042	10217	16052	14538	14603	30738	152862	53342	43890	28659	27363	0	20643	24568	11788	13588	12841	23091	15471	28938	16606	23324	11895	0	11697	22629	Peptide	0.44444445	1.2777778	0.16666667
8	C18 H23 O8 N3	410.1558	410.15637	-0.16392557	410.15573	89433	89875	75274	80885	29979	34764	51951	105679	34843	74185	57729	65512	44640	14039	72493	103507	79792	47400	69988	80490	77836	124444	73501	110868	44614	6492	51889	72046	84515	79024	85229	94872	97021	76311	99706	83377	106611	69806	94394	93623	91129	45989	0	0	0	88491	95980	0	99206	84212	86871	82607	35691	0	61630	22744	32123	86898	95705	78865	104203	62858	53016	48659	34026	48633	44279	103220	16476	29761	24674	91936	76379	75376	64913	80874	0	63687	71013	146808	61623	47013	57148	34615	28045	33492	59614	54099	56472	122275	427417	203012	155045	79033	75604	0	84259	86214	25829	23945	21598	92459	60146	114661	58882	94731	26194	0	55444	60523	Peptide	0.44444445	1.2777778	0.16666667
18	C18 H23 O8 N3	410.1558	410.15628	-0.026208602	410.1558	173268	146981	158898	146306	113817	108101	75902	165325	152312	345320	127988	84669	207448	64413	139591	135901	66356	202160	181595	328043	260438	162661	132276	160662	102696	170143	67912	111726	144265	126535	140467	140488	171238	126919	354427	139382	159765	100852	75714	223681	109372	73474	3076	595	0	172527	102368	330	144364	129485	156607	159400	103917	0	213860	112052	70532	138317	146538	71356	128230	145214	210779	144821	54513	140727	96605	73001	147704	306566	216639	151890	131458	153748	71816	137750	453	114250	122774	70263	110989	111354	101118	115239	119200	2730	103012	78175	99977	71677	131272	161476	171668	92082	153130	910	146296	160892	107057	98488	81653	117609	90462	149983	85551	129233	91568	474	96670	201117	Peptide	0.44444445	1.2777778	0.16666667
10	C18 H23 O8 N3	410.1558	410.15628	-0.20066687	410.1557	80759	74129	72817	68480	25948	30679	55229	104913	33826	63207	36015	51365	40465	14552	65835	88646	61419	48268	59241	60605	57068	107889	68391	105706	52382	8592	53390	55619	79317	71318	71236	82953	91433	65657	80122	80562	93303	56200	72965	81602	62149	34511	701	0	0	74859	65131	0	82234	83726	78871	70834	36367	0	45255	0	28329	83739	102715	64278	92981	48955	40031	36644	30453	39160	45261	80741	13962	24332	17327	86666	73485	71714	46829	72293	0	54147	61562	92405	50167	41405	58184	30077	23215	27460	58173	42144	44892	95467	403822	193565	151344	67566	71372	0	73070	80479	23939	18617	20713	85718	53793	106701	49260	84254	20460	0	55194	51559	Peptide	0.44444445	1.2777778	0.16666667
6	C18 H23 O8 N3	410.1558	410.15643	-0.14347257	410.15573	66385	67259	62191	60383	24767	26696	35264	78293	34459	66119	48890	45751	39715	9797	51975	69550	64932	48424	56575	55083	68844	97389	52537	86216	30607	6040	34819	76487	53511	61066	61525	62173	76576	58821	68320	57986	68266	45513	80188	57182	69678	33645	0	0	0	61065	80357	0	77771	66293	66617	71118	29439	0	48080	19864	25244	66982	56829	62706	77986	46836	43556	37149	23474	39627	37156	96986	11697	19678	22080	61103	60617	56018	35050	51109	0	39307	45505	171288	41641	33221	37396	24523	30535	25297	47320	46229	44303	100271	457500	173829	116301	83725	70132	0	63885	72615	19333	19500	21625	72100	41465	83879	53163	70773	24078	0	39683	53183	Peptide	0.44444445	1.2777778	0.16666667
18	C23 H23 O6 N1	410.15982	410.16028	-0.16722266	410.15976	16676	16889	18031	14125	9848	4847	2579	8267	4729	42778	50909	4913	6585	10243	2665	7543	6902	5432	8527	42543	44354	17964	4941	9068	4949	87352	3447	43604	7052	4565	5040	4035	7386	0	37594	3312	8416	5054	3685	35839	51284	6478	0	0	0	17694	25357	0	6834	6204	13710	16180	7309	0	3558	7118	5121	5545	1456	10232	6684	22623	8003	5717	4973	4616	8596	10045	79472	87257	129465	4967	2476	3244	4059	5861	0	3887	11246	26052	4963	13905	6133	24979	6918	4786	13287	6034	5660	13638	10057	11289	14206	22494	31756	0	10412	14702	6260	3714	8189	8829	4242	5889	9571	8287	4445	0	6231	6701	Phytochemical	0.26086956	1.0	0.04347826
22	C23 H23 O6 N1	410.15982	410.16025	-0.15907674	410.15976	11517	13027	11441	16977	7090	5241	2439	7473	5721	34080	39093	3333	4796	8390	3617	8505	5837	6363	9284	34631	37936	16975	5257	7861	4521	64989	4079	38224	5205	5814	3777	0	7547	3301	28008	2874	6815	2068	4632	33014	44743	5249	0	0	0	22587	27471	0	6260	6426	9630	12217	6542	0	4018	5748	4453	8733	4841	9794	3226	25991	6262	4193	3698	8360	8596	5349	74477	69890	97132	6071	2494	3347	3262	3527	0	2463	7044	24008	5065	18357	6319	24179	6255	5532	6318	10377	5832	13106	9298	8091	14211	24778	26536	0	11859	10456	7619	5583	3060	8463	4521	8160	14464	8018	2680	0	6626	5932	Phytochemical	0.26086956	1.0	0.04347826
14	C23 H23 O6 N1	410.15982	410.16025	-0.26133573	410.1597	5688	6173	3304	3425	2182	1357	6539	3721	3139	21402	18390	2230	3362	3467	1765	4554	0	3822	6865	19936	30385	6468	1685	3802	2626	54822	10981	24884	2883	2851	3751	0	3281	1924	24892	0	4240	1465	6320	18525	25194	1667	0	0	0	10002	15153	0	4524	2343	3484	6589	3036	0	3263	3089	1233	4699	0	0	0	9159	5616	2321	3421	0	3289	3427	54693	63949	56301	1392	1030	1361	2042	2869	0	2224	3554	14940	3447	4810	1252	11851	3625	0	4522	2088	2358	10129	6576	3384	6128	10503	10460	0	6625	8572	3696	2069	2386	3043	2578	4322	0	1430	2251	0	4424	4093	Phytochemical	0.26086956	1.0	0.04347826
8	C23 H23 O6 N1	410.15982	410.1605	-0.11505671	410.15976	1822	0	0	2579	0	0	0	1304	1808	7564	3665	918	1239	0	0	2769	1001	1317	1308	10676	9829	0	930	1120	880	16623	0	7732	1209	0	1004	1502	1799	1786	9004	0	1164	0	2715	5312	3995	1208	0	0	0	3011	7726	0	0	1109	2414	2561	878	0	1541	680	1505	1473	0	0	0	1796	853	0	0	1268	1456	1571	13396	18908	24213	1549	1085	1510	1122	1552	0	691	1875	6467	0	988	623	3201	925	0	1816	2006	1135	3634	0	0	0	3307	5886	0	1653	2539	0	821	0	2552	0	0	0	0	0	0	741	2125	Phytochemical	0.26086956	1.0	0.04347826
10	C23 H23 O6 N1	410.15982	410.16037	-0.18565944	410.15973	4594	3516	2240	3672	1833	1617	1354	0	2326	15993	10994	0	1357	2875	0	2244	1675	0	2413	14416	19789	5328	3026	4196	1221	33940	0	14158	2340	1529	1522	0	2523	1252	13823	0	1711	0	2950	9928	11999	1140	0	0	0	10689	9252	0	2288	1352	5254	3682	1293	0	2268	1382	1450	2549	0	1467	0	3746	976	947	0	2088	3144	3093	23244	36706	43309	0	1943	1718	0	1838	0	1348	2423	7811	2054	2942	0	8636	1166	999	955	1917	934	4165	0	0	2585	3806	10649	0	3702	2885	2193	888	0	1910	0	2599	0	2248	1625	0	2729	0	Phytochemical	0.26086956	1.0	0.04347826
20	C23 H23 O6 N1	410.15982	410.16025	-0.17059922	410.15973	12726	15120	20080	15028	11797	10331	3477	8760	12205	45726	47911	4712	8670	10155	7131	10878	8055	8801	15633	47467	61060	23890	7076	7139	9326	105886	2530	50162	5644	5803	5483	6677	8380	5157	40031	5792	9047	3160	8208	44759	60333	6670	0	0	0	23767	33215	0	7382	6303	19227	14935	9417	0	6778	7163	5111	8668	7325	8878	8386	29215	6700	5992	5811	7589	11137	10613	93840	97817	132538	5231	2783	3344	3801	4381	0	4461	9865	28631	5518	17216	8002	34527	11011	4857	11417	6461	11135	15381	19964	15424	16311	24695	25225	0	17444	10691	10563	6406	9210	9291	3887	12387	13971	9142	6952	0	8906	4394	Phytochemical	0.26086956	1.0	0.04347826
22	C20 H27 O6 N1 S1	410.16318	410.16373	0.059645034	410.1632	4010	9399	5540	6460	5723	7286	0	3174	2926	12313	8591	2142	7178	0	2705	3816	3076	4521	6834	20552	22894	12441	1389	4232	4132	21246	1405	12483	3352	1933	1876	3977	4047	3929	14002	2402	4232	1786	2967	20544	13838	5079	0	0	0	14255	15805	0	5824	0	5907	8258	3711	0	2317	3680	3528	4758	9454	5299	3843	14167	3577	3423	2871	7962	5626	4051	18837	27712	23357	2669	2395	0	2197	0	0	1057	3703	6922	3007	8439	5256	12871	3712	3137	5170	3776	4888	8238	21793	25932	6294	17011	21772	0	5673	8079	3700	4467	3980	5780	1141	7680	9471	4519	4508	0	3425	4975	Organosulfur	0.3	1.35	0.05
12	C20 H27 O8 N1	410.18094	410.1815	-0.14465708	410.18088	236610	250382	255422	250970	149180	134936	236044	421988	155275	382414	219990	183322	185685	92917	256576	292044	292624	233009	296120	558347	536863	355217	298084	360408	233295	435343	147563	203251	342607	284897	297667	283288	345445	259430	507004	325798	261463	227233	265479	370116	352322	167967	5985	937	832	389826	342802	676	277677	317106	264541	246357	149360	1516	249411	146624	110576	291130	325665	267305	316305	267324	212741	166968	86443	182662	154292	271822	423386	491717	466132	296930	281974	341173	219992	257299	657	230184	225540	172558	214261	230379	243539	225631	190741	127167	209305	118338	165227	318723	226042	306214	379176	206036	248255	2915	268320	327627	145492	108970	139328	300233	201003	346458	246411	278907	138819	745	221594	211229	Lipid	0.4	1.35	0.05
8	C20 H27 O8 N1	410.18094	410.18152	-0.18525927	410.18088	210356	223808	157100	206326	41970	47132	111130	240084	55747	375550	81614	132482	85013	26121	166404	218740	71448	66512	87782	364962	395688	310610	82555	237412	119540	66995	100956	70126	202374	186086	190466	226642	200810	174560	499918	192602	206040	135064	173384	297414	233032	49750	935	286	416	128121	224114	0	236762	210022	203424	202472	45825	521	76253	46094	36157	98520	164422	142140	124902	91066	75087	64889	29817	75971	100004	173172	76979	115666	121022	200740	206184	190960	125736	181326	228	136976	139962	48372	119544	123232	143344	146330	45587	34670	126100	88692	110802	179906	110467	147029	269940	79319	264662	650	205738	209776	42965	47598	50258	208412	117398	276542	47730	167400	34926	0	60621	80992	Lipid	0.4	1.35	0.05
2	C20 H27 O8 N1	410.18094	410.18164	-0.19069555	410.18088	14071	11062	10090	9589	5322	15775	9202	14865	6921	11102	10210	10354	11344	4110	9641	5838	11432	8444	9973	11919	19562	11634	9716	9214	5682	5360	3631	9229	15969	9410	12027	11700	19385	11790	17521	10623	11810	9905	13098	10067	16536	9393	204	0	0	7765	23494	0	10853	9106	10821	8160	7045	254	8531	5767	4067	12796	7453	19466	6629	7018	9581	8764	2738	11339	10791	35512	7631	8599	11892	12447	11282	12330	3978	10378	0	8027	10475	8054	8825	6192	6499	6596	5990	5117	8708	8798	9061	16276	10327	12324	16587	11471	5404	0	10314	10769	4302	5774	6232	8972	10062	12246	7773	12761	5899	0	6964	9984	Lipid	0.4	1.35	0.05
28	C20 H27 O8 N1	410.18094	410.18137	-0.19265012	410.18088	10141	5893	7152	5812	7453	5499	4147	9623	5975	15976	5640	3793	12940	4168	6740	7521	5953	9002	10949	18355	15246	7669	6898	9165	4392	20623	3212	6754	8957	7108	6546	7478	8064	10518	15359	9317	7838	4380	6393	10805	8148	5337	0	0	0	5967	7801	0	7647	9349	7645	7932	4994	0	7559	5702	4012	7996	4148	4524	9926	5905	10762	4662	4195	9065	6418	6923	17089	25147	21935	8762	7339	6373	5183	5902	0	4616	5864	2880	5880	3308	4614	7780	8437	3216	4844	4296	5069	5337	5513	8585	7688	2225	4549	0	6996	8091	3402	6051	5719	9691	4309	9407	4197	5399	2480	0	5107	9068	Lipid	0.4	1.35	0.05
4	C20 H27 O8 N1	410.18094	410.18167	-0.14940518	410.18088	23678	25690	22725	23097	11752	29437	12671	26773	15542	36041	19490	31396	21319	6932	40114	23103	24030	41754	45376	37967	42034	38085	44042	58734	14635	13207	13365	11953	22362	19588	21302	23545	58262	20134	55489	24428	27105	32016	29702	30172	57724	14585	0	0	335	27213	31061	0	26959	23535	23148	19072	12714	0	42762	11267	7207	21733	37866	17857	24460	19211	41336	17327	6333	19343	14652	26141	15508	19512	23421	44028	20918	52580	12090	38212	303	34088	17625	18802	33852	16670	33226	14162	16720	11586	16489	10846	16560	52080	54346	51620	75018	22015	31052	0	24164	55958	12197	16211	14307	26456	15249	36794	17668	20172	10616	0	13350	24933	Lipid	0.4	1.35	0.05
10	C20 H27 O8 N1	410.18094	410.18146	-0.18818203	410.18088	357536	320282	301204	293040	79777	77949	227078	428820	96496	578568	129180	237492	116239	54045	134401	364544	123271	129900	142418	611276	314132	479142	144923	440756	219490	196550	108605	109826	190667	351688	157175	363114	189654	290296	699146	191047	172520	215020	277570	488788	363248	81410	3702	0	572	195074	182739	0	183948	175977	321058	317794	81681	824	133708	72019	53272	185337	171031	147501	197252	133244	101866	94702	55551	96683	91281	316614	176409	223109	217177	354984	330192	194462	119804	158715	0	247210	121544	92915	117003	233354	136793	114903	93578	72688	219770	74925	89240	295630	134468	330258	464946	130951	413968	1506	308782	381812	70064	66952	74828	181066	212770	228590	106787	309690	69693	673	207322	130301	Lipid	0.4	1.35	0.05
16	C19 H27 O7 N3	410.19217	410.19266	-0.2505643	410.19208	1478790	1482316	1504385	1511534	963070	929525	955955	2088975	1060912	2334514	1185521	1183977	1421193	607408	1535048	1862533	1231590	1570941	1830349	3481967	3072649	1619360	1704275	2309138	1315853	3072651	878957	1162679	1882201	1901093	1627521	1782842	1708395	1553208	2533328	1954981	1717989	1140702	1169396	2215122	1601300	1046997	34057	7134	4789	1983405	1656899	4494	1774333	2015602	1522960	1494899	931446	9409	1345548	984618	678986	1637336	1448263	1163230	1930472	1318499	1281447	969857	550832	1144348	971614	1087432	2630748	3273322	2858992	1929220	1847888	2157181	1343715	1673183	3390	1177303	1235095	950284	1099280	1149544	1265313	1374440	1223823	814823	1071526	927581	1028343	1398625	1351251	1687519	2426910	968471	1711439	12435	1471288	1873904	753119	736140	944051	1812480	1003444	1971931	961488	1678822	951930	5486	1142208	1339979	Peptide	0.36842105	1.4210526	0.15789473
4	C19 H27 O7 N3	410.19217	410.19287	-0.1854621	410.1921	30105	30339	29372	28543	9256	15326	11982	24930	11064	16928	28517	12865	11636	4764	19993	21434	16674	17484	17635	16632	16432	32096	18382	24790	16757	2912	14039	154960	20448	14015	20486	21230	26996	16217	23813	20017	23663	16218	25320	18384	12326	10705	0	0	0	17552	15893	0	21944	19642	27527	26095	10144	0	17547	7234	7657	22349	18187	11080	22290	11600	11605	10613	5885	14247	9865	21233	4974	6900	5520	18042	15923	20429	8850	16233	0	15017	15368	343199	14198	10057	13583	8170	8897	9062	16479	11454	11237	23438	782521	309693	48445	52653	29192	0	25010	33701	6254	7035	6793	22319	13913	29519	12032	21061	7974	0	13880	12601	Peptide	0.36842105	1.4210526	0.15789473
6	C19 H27 O7 N3	410.19217	410.19278	-0.21858025	410.19208	64874	67644	60357	62341	13738	31280	26950	47943	17784	45227	52041	23894	18463	8508	38835	49495	31539	26534	34669	44736	35696	52641	31125	61000	35161	6481	22956	272043	46682	37785	43658	47696	62683	40092	44945	41260	55114	32730	36138	36787	30262	19104	0	0	0	37782	27184	0	58670	36448	70006	65765	17109	0	28751	8205	13236	50855	30202	22090	55253	21049	18102	19060	12051	23570	25480	41773	7959	18271	12236	40456	36881	37210	18144	29281	0	25115	25878	237866	24035	17847	26267	19154	11508	16764	27907	20885	25709	58700	1991679	1009206	77460	107408	61701	0	61541	61619	9994	7238	8246	48743	28122	53800	15232	46000	12754	0	27248	24815	Peptide	0.36842105	1.4210526	0.15789473
12	C19 H27 O7 N3	410.19217	410.19266	-0.2632838	410.19208	30894	22280	21568	26507	10546	12408	36726	51064	11020	16518	9827	20889	6240	5764	28514	25446	25757	16593	19194	31414	20787	47039	24619	39844	34972	0	17130	27065	30374	30096	33409	29235	42524	30690	32945	35970	37493	23818	28728	28336	21013	13035	0	0	0	32788	25284	0	33942	28423	25161	23327	12640	0	12040	4473	9028	33302	37659	21470	28624	17779	9766	12119	7371	12611	15931	28041	0	11702	8875	35650	29545	30830	17411	25661	0	26962	23768	38434	20964	15294	25534	14934	6991	10722	23890	12620	13896	55283	105680	90821	62738	21025	21264	0	19258	22454	5882	3462	3499	35428	22443	28563	0	35916	8094	0	27237	12531	Peptide	0.36842105	1.4210526	0.15789473
8	C19 H27 O7 N3	410.19217	410.19275	-0.22542152	410.19208	70667	75692	68407	70857	13419	37219	28871	54653	18036	55690	58823	27386	21218	9605	41062	56797	34399	22787	36706	48388	38608	65920	39112	57033	36302	5990	31110	252684	47839	43055	45962	53777	56904	52213	59328	48315	55125	35127	38008	48364	37403	22956	0	0	0	53121	36230	0	62294	43419	66619	67345	20440	0	25464	8682	16655	53287	37921	24375	51649	27676	20082	18937	12100	26087	22695	40028	6315	26904	13265	45070	42392	43223	26445	39000	0	31704	32552	411904	24218	20651	32696	27185	11702	11771	31832	22130	27192	60855	1957048	859612	92590	131874	74837	0	71533	57197	11009	9294	7443	50200	32695	74996	13312	51909	11654	0	30424	21582	Peptide	0.36842105	1.4210526	0.15789473
2	C19 H27 O7 N3	410.19217	410.19287	-0.19909541	410.1921	14109	14741	10901	13996	5743	0	12365	17493	7453	7784	12023	12014	7580	3993	14255	6514	17224	11726	10563	9010	12890	17360	15419	13753	7935	1577	3890	53595	13777	10274	17475	15163	21525	13657	14097	13746	17209	10695	21764	11170	12209	7484	0	0	0	9519	9777	0	16428	9863	15358	15198	8417	0	11550	3964	5243	16636	10399	9203	7209	6654	7234	9133	5548	10160	10552	25001	2625	5249	4454	14300	13397	12712	3484	11474	0	11999	13671	147010	11691	6653	9075	5286	4826	5503	14705	9967	9562	33753	50579	63339	29784	22744	4910	0	16844	15506	4997	4985	4222	11793	11904	13043	6928	19525	4777	0	13380	9855	Peptide	0.36842105	1.4210526	0.15789473
14	C19 H27 O7 N3	410.19217	410.19263	-0.25432798	410.19208	17664	14909	15768	13234	7680	8638	15274	22597	5206	7628	6743	9567	9878	0	15074	21218	9715	11450	10696	15149	14688	23259	18568	29956	18855	0	10064	25596	20672	17506	17706	22154	26353	11917	10237	19366	25355	13648	14655	12907	0	11389	0	0	0	17242	7872	0	19055	18887	17072	13883	6573	0	9708	1991	3574	27462	33453	0	0	12069	4950	10344	5263	9521	9264	13785	0	6563	3254	16499	14502	19409	10744	21855	0	14861	14808	0	12332	8700	12555	7919	3515	5848	14881	12464	5950	25555	35863	29685	46931	7759	11430	0	10422	14341	3385	2199	3018	24809	12798	24453	0	25876	4079	0	12713	6847	Peptide	0.36842105	1.4210526	0.15789473
18	C24 H27 O5 N1	410.1962	410.1966	-0.27067006	410.19608	7924	6989	3533	4973	1584	2356	2708	6814	1867	10219	14980	1636	1932	3926	2767	6878	7477	0	2218	19632	21384	7678	2976	3760	4806	40045	3951	18847	0	4007	3238	5155	3039	0	8262	1905	5801	2126	7627	13816	19700	2562	0	0	0	5165	10078	0	3389	4283	7448	7257	3211	0	3157	0	2598	6303	0	7044	7851	7305	0	2309	0	5221	3166	6232	30012	30295	56089	4595	2462	2556	4646	4705	0	2150	7415	8059	4397	2997	3316	13276	1665	2857	6803	3125	3354	12414	7389	6184	10467	5357	8441	0	5495	6892	2032	0	1304	6795	2995	4606	4324	6080	1511	0	3964	2467	Phytochemical	0.20833333	1.125	0.041666668
10	C24 H27 O5 N1	410.1962	410.19672	-0.23619859	410.1961	2445	1599	3819	0	0	976	1526	2559	0	11632	7012	923	0	0	1314	1930	1493	0	0	14803	8533	0	1895	1862	998	21844	0	7549	0	2055	1523	2720	1686	1534	8186	2632	1990	766	0	5084	2960	917	0	0	0	0	4570	0	1765	1340	2207	2581	1009	0	0	0	0	2782	0	0	0	0	0	0	790	0	1616	3851	12512	22540	19005	1395	1933	0	0	1389	0	0	0	0	0	693	0	5401	0	0	1458	1135	0	1979	0	0	4119	1626	6818	0	2128	1920	0	0	0	2274	0	0	0	1376	0	0	0	0	Phytochemical	0.20833333	1.125	0.041666668
24	C24 H27 O5 N1	410.1962	410.1966	-0.15066177	410.19614	6961	9243	6875	8033	6035	5975	3701	5313	3694	10267	25323	3569	1450	4783	4173	4215	7802	3934	10075	19300	17565	10068	5090	7477	7928	57946	2188	28309	5493	7609	4670	7207	4138	3805	11631	7486	7462	2266	6757	22538	31396	8132	0	0	0	14030	16292	0	7853	6314	7227	7134	5515	0	3941	2424	4780	7492	4417	5906	7322	11031	3738	3829	2973	4021	12962	8535	43863	31967	53520	7088	4292	3557	2967	5119	0	2449	5572	11320	5297	8840	5037	17612	4535	4205	11058	7794	7559	13011	9328	10212	12392	12014	7560	0	8087	8678	3741	3887	4578	6947	2476	10311	9239	6952	4929	0	5960	1424	Phytochemical	0.20833333	1.125	0.041666668
20	C24 H27 O5 N1	410.1962	410.1966	-0.19243915	410.1961	10580	9751	9067	9378	5589	4488	5102	5726	4442	22537	19806	5823	2385	4988	5664	8303	10635	4030	11674	32299	22958	8160	6589	7500	4727	65841	3092	24324	5024	6115	8243	8071	7180	6560	17731	4525	9800	4629	8663	22277	37931	4621	0	0	0	14895	15697	0	7202	4951	8733	7625	3250	0	3561	2643	2690	7789	4958	11822	10243	15502	4792	0	2977	3575	7416	11528	51895	52145	71637	6792	5538	5845	7062	6544	0	6249	9524	12869	7937	7526	8620	17867	3084	3104	14567	6515	7326	23669	11946	10821	13661	10667	11391	0	8845	12581	4505	2995	3948	8974	4036	10178	6110	11586	2096	0	8421	6032	Phytochemical	0.20833333	1.125	0.041666668
2	C17 H31 O10 N1	410.2021	410.20294	0.09663681	410.20212	4443	5802	3829	4909	3689	0	3120	6591	3068	1353	1261	2870	9255	3606	3653	6028	3243	8798	5396	1120	1660	8193	4946	7978	3381	0	1812	4151	4581	3698	4538	5554	5795	4095	1984	5800	6103	3310	3984	1223	0	0	0	0	0	1939	1473	0	5959	3158	3387	3926	5244	0	5727	2852	1669	7806	1150	988	6473	938	4732	4125	0	7266	3113	7216	0	838	0	5744	5055	5214	1099	3659	0	3560	6146	4979	3631	1817	1008	661	2556	3785	4961	4026	3937	13807	11008	5886	20164	2243	1107	0	3951	5868	2712	1860	2144	4592	3159	1934	1458	6866	2435	0	4339	10375	Lipid	0.5882353	1.8235294	0.05882353
16	C21 H31 O7 N1	410.21732	410.2178	-0.19909473	410.21725	226779	228236	242628	207400	164695	124919	178230	316973	141246	211656	160843	183574	192341	98142	205875	336663	273938	222784	265234	417284	364243	233423	249976	366188	185055	409484	166376	130144	280415	290538	244137	263581	274062	227341	217320	328142	271468	161391	269522	235845	232776	174927	4587	1008	961	257994	250712	421	278446	317813	231795	237158	146360	1430	180556	152106	106264	276372	171186	204859	304214	144709	172151	148456	92899	169365	142880	236455	328289	386356	377512	261399	253602	325972	292763	260696	453	173949	214012	150139	173664	150943	176973	159525	196953	132045	202901	154421	152085	292005	228132	461198	378896	142217	242818	1926	226869	278205	111491	134152	172098	322844	149689	317722	130412	263532	158005	535	180976	164240	Lipid	0.33333334	1.4761904	0.04761905
4	C21 H31 O7 N1	410.21732	410.21802	-0.19788457	410.21725	14604	19258	14855	15788	3489	5910	11110	26046	4541	15690	5928	11054	7212	2500	16507	19809	17085	6323	9838	21085	17438	23449	13202	21701	15025	7251	11322	5186	23226	19871	18763	18431	22218	19015	24265	22142	22101	11359	17576	15929	12413	6401	0	0	0	14982	14487	0	22617	20153	15288	15917	5145	0	6767	3986	3721	17415	7460	6748	18958	8065	5167	6045	4742	5831	6901	17926	6980	10466	9125	17785	17444	21180	12210	14718	0	13865	11414	9823	10100	7206	10242	10030	4747	4504	12408	5511	8380	14975	23018	21400	25418	11920	17783	0	16871	16884	3724	3504	5180	21977	11621	30551	8427	17688	3591	0	10739	5873	Lipid	0.33333334	1.4761904	0.04761905
26	C21 H31 O7 N1	410.21732	410.21774	-0.19963428	410.21725	18312	17070	17433	17523	29701	12094	4596	21110	22586	27454	13197	8123	34752	12517	13418	14979	13351	28541	28134	32334	40054	18166	13818	24914	7302	35183	5008	13177	14846	10331	12966	15188	16227	15248	30499	14697	18278	9717	14501	21032	21859	11960	0	0	0	18502	18797	0	12997	14463	17785	18708	15043	0	26607	19270	6088	19484	10253	7518	19826	14786	24893	17687	4702	26392	14962	13194	33602	55141	68000	15001	15773	13191	14103	14923	0	10221	16012	7550	13727	7988	10343	17369	26183	9659	19209	12388	9829	17855	17639	12499	27768	8164	22899	0	18390	23036	9119	19018	20147	19983	8552	13081	9733	16077	12840	0	10766	32133	Lipid	0.33333334	1.4761904	0.04761905
12	C21 H31 O7 N1	410.21732	410.21786	-0.21640107	410.21725	171924	165336	151356	161541	89511	87210	187836	322854	86208	172047	105045	206424	93000	44223	210372	261054	248313	131085	178794	313263	286029	237885	209706	227988	184953	203313	151521	108276	252732	191724	232497	189438	266754	166932	272673	224742	201708	194100	259521	213873	185238	109449	3651	0	0	189471	163806	0	235158	237498	162939	200088	116649	1140	113451	86709	88527	219948	131403	139434	217800	134256	111012	93978	73569	125547	118692	263319	207063	266937	234753	197493	168033	207855	171288	179484	636	208806	182418	138576	153288	118248	131097	128550	116742	84771	167490	79896	109794	311964	334573	248955	302220	131244	166887	0	188907	202377	84492	81174	97005	220641	160641	228084	120162	217644	92865	0	202827	116376	Lipid	0.33333334	1.4761904	0.04761905
28	C21 H31 O7 N1	410.21732	410.21774	-0.2068809	410.21725	5844	6438	6518	7267	9337	3972	3328	6695	5757	10269	4621	3431	11049	4500	3831	10848	4151	9788	9900	13562	16447	5816	5529	8282	2290	12349	3143	5121	5660	5905	4725	5800	7119	6436	10030	5471	6034	2947	7209	7647	7524	4654	0	0	0	5056	5110	0	5953	5975	6886	5218	6065	0	5487	4841	2698	6741	3066	2304	6451	4817	9168	6248	2128	10581	6981	5417	15175	23578	25292	6490	5514	5299	5025	3590	0	3549	6439	3660	3551	2842	3418	4691	7979	2721	5309	3928	4970	7115	6332	9727	6881	2497	5437	0	7112	6705	5177	7302	8598	5602	3510	5213	0	4936	3891	0	3051	9468	Lipid	0.33333334	1.4761904	0.04761905
24	C21 H31 O7 N1	410.21732	410.2177	-0.19199705	410.21725	81514	75594	83044	84495	91489	70027	30170	72895	81481	124324	66712	43726	146370	51708	61715	0	44632	119202	134193	148240	150384	81028	75013	99292	48544	149983	29267	56586	68586	65193	53469	63134	71797	71557	141681	73231	94452	47077	53982	102727	80115	47984	2914	0	0	92306	74464	0	70130	61515	84361	78354	66907	0	111818	87904	38129	79624	51412	33848	83049	71530	106476	74101	29637	106078	57204	47291	134971	209325	198640	77942	68924	67675	46326	55080	0	56295	71279	40926	61623	50586	43399	68870	85480	45812	57873	49457	54008	63300	80989	80539	113377	50912	77154	0	85485	89433	49000	85651	90001	85471	39600	82224	57999	73542	54915	0	51448	121643	Lipid	0.33333334	1.4761904	0.04761905
16	C19 H28 O2 N7 Na1	410.2275	410.2275	-0.7906396	410.22717	0	0	0	0	0	1476	1777	0	0	0	0	0	0	0	0	12238	0	0	0	0	0	2731	0	1997	0	0	0	0	0	0	0	15512	0	31327	0	0	3714	0	0	2410	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3839	0	0	0	0	1898	0	0	0	1851	0	0	0	0	40624	0	0	0	0	0	1311	2714	0	0	0	0	0	0	0	0	1130	0	0	8386	2583	0	0	0	0	0	2691	0	0	0	4196	2188	1625	0	0	0	0	2319	0	Unclassified	0.10526316	1.4736842	0.36842105
10	C20 H31 O6 N3	410.22858	410.22906	-0.19734156	410.2285	7003	5944	4117	7977	0	3443	3358	7310	1810	2315	1668	3545	0	2384	4917	4128	4354	0	2229	4328	3593	5583	6007	5734	4467	0	2397	0	5510	5149	6517	6652	7136	4521	4139	6520	8538	4080	6532	2257	3266	2023	0	0	0	5205	1865	0	8132	4177	4943	6093	1536	0	0	0	1262	9256	0	0	0	2349	0	1840	0	2126	3582	5036	0	2043	1739	5170	6753	6113	4208	5081	0	3309	4208	10860	3375	719	2075	2477	0	755	6631	4025	2962	7976	90233	36312	12291	5202	4402	0	5813	4876	0	791	0	4214	3257	8519	0	5577	1204	0	3961	1203	Peptide	0.3	1.55	0.15
8	C20 H31 O6 N3	410.22858	410.2291	-0.19962865	410.2285	11985	11167	7542	9430	2037	15916	5085	9030	3108	4741	2814	4068	1559	1545	6665	11289	3842	3737	2847	6124	3981	7921	5556	7603	9440	1045	3945	30485	8572	5455	7801	10327	10132	7392	3837	6000	8918	4497	5526	5959	1603	4164	0	0	0	5865	2978	0	12013	7043	9303	13082	3276	0	2876	0	2103	8220	0	0	7385	2302	2849	1757	0	3571	3930	6370	0	3761	0	7147	6634	5736	4443	5396	0	5790	5002	31961	3673	915	1292	3495	1671	0	7472	2704	3435	14105	300500	137488	15077	12546	6355	0	9490	7617	2583	0	0	8864	3939	3659	0	8187	0	0	6220	2988	Peptide	0.3	1.55	0.15
6	C20 H31 O6 N3	410.22858	410.22916	-0.20774846	410.2285	6620	6840	6818	4828	1928	4241	4161	9150	2336	3914	1609	3186	2715	895	5885	8832	3994	3686	2816	4899	4622	9282	4160	8268	8348	1008	4356	5584	8647	6732	7976	9073	8016	7087	4784	7836	10049	3966	4727	4550	1882	2571	0	0	0	5139	0	0	8034	5629	6761	6629	1870	0	3869	743	1916	9711	990	0	7633	2248	1869	1066	1882	2232	3268	4636	0	1841	0	4521	5449	5756	3682	5235	0	4915	4083	9325	2543	1410	1859	2761	678	2109	5569	2691	3668	10511	124845	59171	17228	4075	4763	0	6057	6269	1473	519	873	6546	4464	7796	0	6645	1385	0	4763	2573	Peptide	0.3	1.55	0.15
22	C25 H31 O4 N1	410.23257	410.23297	-0.23070654	410.23248	94696	96737	96448	97004	76990	86068	75022	105515	90341	162818	77989	56368	97955	56310	88556	94236	59693	130290	149647	188924	134375	104950	77579	91535	88525	116418	67650	79547	132126	93740	98907	113994	145727	100148	169013	110966	161620	73463	68673	94631	61662	68640	0	0	0	86916	45634	0	111312	83225	95315	98804	76721	0	129167	83305	50926	113098	84719	38035	103429	63220	108867	86553	42583	98322	79243	65817	65308	162462	104297	89267	84839	100802	70398	96908	0	73283	75685	38325	60743	51011	95787	59669	78773	67180	87463	62773	82497	66003	129101	129223	131684	61357	86097	0	85509	107259	57236	72537	75380	148600	58552	114817	53080	92708	62519	0	60828	115879	Phytochemical	0.16	1.24	0.04
26	C25 H31 O4 N1	410.23257	410.23273	-0.16216262	410.2325	0	2096	0	2261	0	0	1712	0	0	0	6547	0	0	0	0	0	0	0	0	0	0	2311	0	0	5812	16234	0	6861	0	0	2236	0	2154	2415	2554	0	2516	0	4174	2690	3991	0	0	0	0	0	0	0	0	0	3094	3144	3090	0	0	0	0	6093	0	0	0	2828	0	0	0	0	0	4556	13443	4816	7832	2857	0	0	0	2866	0	0	6659	4959	0	0	0	5905	0	0	8475	0	0	22844	3911	0	8063	1978	0	0	3744	0	0	0	0	0	0	0	0	4608	0	0	4761	0	Phytochemical	0.16	1.24	0.04
24	C25 H31 O4 N1	410.23257	410.23294	-0.22692496	410.23248	5148	3548	5273	3615	2035	1336	0	3906	2262	3668	12789	2684	2859	3886	2989	10276	6669	0	4802	4953	7043	6252	2581	6895	8171	30839	3225	11917	5253	6436	4650	5007	3982	6057	0	5006	6021	4051	9045	6741	13513	5053	0	0	0	5161	8751	0	5708	4683	4489	6276	2449	0	0	1126	2018	10428	3064	5758	5978	6119	0	1683	1704	2979	5357	8725	24940	11633	12890	4039	4497	4968	4367	3092	0	2684	6205	5939	2513	4764	4109	9788	0	0	8556	4375	3986	32519	6821	3583	18524	5331	6632	0	4045	6790	2660	1571	1916	9463	3366	7074	2991	9248	2311	0	7738	0	Phytochemical	0.16	1.24	0.04
4	C18 H35 O9 N1	410.23846	410.23917	0.002721164	410.23846	3723	7307	5400	4307	89843	7370	788	0	3963	0	0	0	21653	207267	476	0	0	1323	2084	0	0	0	0	0	0	0	1009	0	0	528	0	0	0	0	623	0	0	781	0	0	0	14886	0	0	0	0	0	0	0	0	5952	5433	51634	0	7776	12599	54797	0	0	0	1106	0	1012	7659	5914	19419	0	0	0	0	0	0	0	613	0	0	0	802	538	0	0	0	0	0	3951	2900	2068	0	0	857	2190	1805	1166	0	0	0	4209	5272	4805	4895	4956	0	0	0	0	412	46680	0	0	2237	Lipid	0.5	1.9444444	0.055555556
6	C22 H35 O6 N1	410.25372	410.25433	-0.15435377	410.25366	8720	8076	6619	6680	1212	1610	8220	14688	593	4281	1874	6429	0	680	10945	10593	9132	1101	2966	6703	5632	8108	7347	12168	15540	2016	6267	0	8956	8955	12961	10089	11953	8934	6520	9552	10519	8012	9755	4962	1937	2516	0	0	0	4101	3523	0	14605	8432	8369	6878	2124	0	1013	459	1438	18223	0	0	12920	1851	970	879	1308	1727	3046	11212	0	5018	3682	10682	8919	10490	7210	7641	0	7987	6709	3340	3620	701	1285	3401	0	1056	13515	2663	2014	38062	16963	7491	17463	5835	9010	0	9586	8191	705	489	770	11823	6920	9437	0	10914	516	0	8380	763	Lipid	0.27272728	1.5909091	0.045454547
14	C22 H35 O6 N1	410.25372	410.2542	-0.13811302	410.25366	35347	31227	34681	29450	3650	6164	11335	200235	2295	7433	3228	23865	2875	2587	9278	166002	37726	3007	10710	26509	11481	4941	7266	15349	8925	5814	15124	0	128086	189760	189797	150759	82502	28320	16223	114520	75935	9267	25045	3636	0	14095	0	0	0	9496	0	0	365023	196675	34458	25927	3696	0	4789	3308	5273	141494	0	0	99749	1305	2135	6591	6749	3522	13973	67696	0	17161	6289	28922	47780	41260	84349	88504	0	23474	11069	0	6094	2132	1984	2627	2806	3334	14830	5841	29488	48363	21122	5597	39505	3480	7979	0	36016	30075	1976	4921	4965	62776	23251	29213	0	29240	3073	0	8117	0	Lipid	0.27272728	1.5909091	0.045454547
16	C22 H35 O6 N1	410.25372	410.25415	-0.27284804	410.2536	11479	14457	12145	13879	7268	6805	12386	21651	4995	9848	5869	12585	4351	6591	10533	19614	21826	5503	15982	18709	14064	9508	6735	22037	14942	11981	14899	8504	18187	18037	20247	15635	24672	13378	5898	25841	15037	10438	20174	8843	9524	8753	368	0	0	10593	12881	0	21640	16068	13766	13556	9929	0	7254	6074	5926	23318	2581	10346	14709	3243	5196	3266	5198	5433	8810	24897	12349	11960	12853	15247	17177	21415	24965	16465	0	9627	11906	8188	10122	3508	8843	4826	7552	8195	18182	9360	7851	70486	27664	12240	46985	7301	17809	0	11621	12011	3732	7108	16361	20383	5321	17324	0	21681	7868	0	16852	4156	Lipid	0.27272728	1.5909091	0.045454547
12	C26 H35 O3 N1	410.26898	410.26947	-0.20683363	410.2689	3732	5192	3070	1647	0	0	0	13372	0	0	0	23968	0	0	21950	9030	0	0	0	1475	0	0	7641	0	5482	0	6351	0	63798	45167	30735	36479	11046	32692	0	65126	11554	27182	0	0	0	0	0	0	0	0	0	0	18448	18949	1637	1573	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5557	0	0	0	13046	46803	65996	37493	35074	0	35406	0	0	0	0	0	0	0	0	0	0	0	12942	0	0	5134	0	0	0	3289	6047	0	0	0	15688	26678	0	0	6040	0	0	0	0	Lipid	0.115384616	1.3461539	0.038461536
14	C26 H35 O3 N1	410.26898	410.26938	-0.17474237	410.2689	7479	7993	8442	6338	0	0	0	28847	0	0	0	36310	0	0	31572	10706	0	0	0	0	0	0	8178	4555	11313	0	6700	0	135301	89338	62033	85618	24702	73962	0	149320	20586	26451	0	0	0	0	0	0	0	0	0	0	52309	30422	7822	8322	0	0	0	0	0	4725	0	0	0	0	0	0	969	0	0	4777	0	0	0	26768	81034	106029	124682	74003	0	43618	0	0	1169	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8486	10287	0	0	0	20031	37146	0	0	5702	0	0	0	0	Lipid	0.115384616	1.3461539	0.038461536
16	C26 H35 O3 N1	410.26898	410.26944	-0.077939235	410.26895	3889	5538	9788	4360	0	0	0	6413	0	0	2244	16681	0	0	4588	7962	0	0	0	0	0	0	1350	0	2344	0	3818	0	63455	68910	37656	99951	13482	42730	0	128997	22015	10626	0	0	0	0	0	0	0	0	0	0	62902	7714	4408	9719	0	0	0	0	0	3528	0	0	0	0	0	0	0	0	0	1279	0	0	0	11466	65065	34629	175835	54014	0	19345	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3701	3782	0	0	0	29354	20971	0	0	0	0	0	0	0	Lipid	0.115384616	1.3461539	0.038461536
20	C19 H39 O8 N1	410.27484	410.27554	-0.24160174	410.27475	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2493	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1695	6241	0	0	0	0	0	0	0	17697	25429	6859	0	5111	0	2037	0	0	0	0	0	0	0	0	0	0	1268	0	0	0	3723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4795	0	0	0	0	0	Lipid	0.42105263	2.0526316	0.05263158
24	C19 H39 O8 N1	410.27484	410.27524	-0.3396318	410.27472	0	0	1253	0	0	0	0	0	0	1327	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6254	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18529	0	0	10726	0	0	4078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	286506	0	0	0	0	0	Lipid	0.42105263	2.0526316	0.05263158
24	C23 H39 O5 N1	410.2901	410.29047	-0.24196124	410.29	14996	11566	17373	14202	12064	7856	26177	16591	11175	10763	14386	7175	11581	26066	22990	27440	21049	12839	24050	12599	10999	6107	8846	8070	23895	12620	28855	21234	14696	14182	11481	14540	14067	13066	9458	24170	21690	21659	16491	10564	11147	104241	0	0	0	10164	8558	0	16156	13118	14845	12790	12091	0	10803	11699	13616	22432	11735	8651	20486	3886	29565	9305	12117	16748	23580	20676	13285	10131	16682	7006	13684	15746	15846	20746	0	11282	18670	17010	8945	11384	13487	10203	13576	15142	28138	12438	13417	28851	32911	20465	15149	10237	12225	0	13593	18035	9589	10256	13949	29113	10525	19807	9016	12943	10511	0	20729	22592	Lipid	0.2173913	1.6956521	0.04347826
14	C23 H39 O5 N1	410.2901	410.29047	-0.091958016	410.29007	3545	1955	1733	5019	0	0	74201	6837	0	0	2254	34030	0	0	0	3999	0	0	0	2614	0	0	0	0	1870	0	221314	0	6289	28389	8494	11539	4397	8302	0	11042	3602	1401	0	0	0	0	0	0	0	0	0	0	19284	11127	3864	2767	0	0	0	0	2102	3354	0	0	0	0	0	1304	4456	0	0	2933	0	0	0	10725	6835	6555	6830	8273	0	15710	0	0	0	0	0	0	0	0	111231	0	1308	54615	14886	0	0	0	1826	0	3265	3075	0	0	0	3496	21557	2882	0	0	0	0	0	0	Lipid	0.2173913	1.6956521	0.04347826
26	C23 H39 O5 N1	410.2901	410.29053	-0.20842832	410.29	16500	15283	13779	14285	13817	10544	16916	11755	11469	6413	12986	6163	10475	8880	18990	18678	15577	12176	24596	11634	14501	16544	7120	6202	27034	13860	15983	24583	19468	21140	9612	14859	27486	15980	13323	23497	17968	16128	16047	14682	10735	88396	0	0	0	15319	8767	0	16638	9861	15067	14268	11954	0	17930	14816	10638	29076	14243	10813	15369	9739	12363	9924	7510	13761	26121	14712	11841	10883	11408	7461	10085	16380	10226	16698	0	10909	17569	27882	5376	9709	17443	13794	18843	16211	76322	10395	12558	26270	40780	40253	14945	18005	17872	0	16393	14691	10630	9769	18490	32673	5648	24495	17873	12723	13804	0	23202	6710	Lipid	0.2173913	1.6956521	0.04347826
12	C23 H39 O5 N1	410.2901	410.29047	-0.07841192	410.29007	0	0	0	1721	0	0	9806	5624	0	0	0	4829	0	0	0	4741	0	0	0	0	0	0	0	0	1993	0	25585	0	5154	14276	6247	1402	2687	1304	0	2590	2002	1725	0	0	0	0	0	0	0	0	0	0	8980	3572	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2240	2116	2869	2808	9787	0	3662	0	0	0	0	0	0	0	0	28415	0	0	16266	9973	0	1840	0	0	0	1955	0	0	0	0	1886	3529	0	0	1714	0	0	1205	0	Lipid	0.2173913	1.6956521	0.04347826
26	C20 H43 O7 N1	410.31122	410.31165	-0.14058477	410.31116	2149	2517	0	0	56563	9287	0	0	0	0	0	0	19376	25611	0	0	0	4981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16294	0	0	0	0	0	0	0	0	0	0	9326	0	0	0	0	0	0	0	0	0	0	0	9227	10124	22900	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3436	0	0	0	12175	0	60848	9423	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12827	0	0	0	0	0	Lipid	0.35	2.15	0.05
24	C20 H43 O7 N1	410.31122	410.31238	0.04018938	410.31125	0	0	0	0	0	0	0	0	0	2102	2461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4283	0	0	2598	0	0	0	0	0	0	0	0	1957	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1020	0	0	0	0	0	1194	0	0	0	0	0	0	0	0	0	0	58685	0	0	0	0	0	Lipid	0.35	2.15	0.05
12	C17 H14 O12	411.05582	411.05643	0.01007454	411.05582	8576	9016	7880	9596	30831	6101	0	1288	31854	0	3981	4057	40081	6233	1816	0	2876	23357	21061	0	4840	11045	5227	0	0	0	0	0	0	0	0	0	2707	0	3529	0	0	1921	1490	0	0	7543	350	0	0	1359	4802	0	0	1253	5996	8301	14337	0	25618	36196	12199	0	0	0	0	0	74110	35916	8258	39947	8958	0	0	0	1785	0	0	0	0	0	0	2748	5526	0	3458	1432	0	0	32616	5380	3261	10713	6732	0	0	2334	1933	10805	3845	0	6884	7959	32042	44425	35318	2575	1678	0	0	1762	20619	0	0	69585	Phytochemical	0.7058824	0.8235294	0.0
14	C17 H14 O12	411.05582	411.05634	0.003994243	411.05582	7819	10685	8746	10067	36045	12093	0	1982	45531	2679	7276	4634	67920	12044	2478	0	0	27900	31547	0	4113	9579	7628	0	0	0	0	0	0	0	0	0	2915	0	4296	0	0	2641	2806	1723	0	10641	0	0	0	0	5640	526	2086	0	13067	11815	21970	0	27422	37180	15267	0	0	0	0	2530	76946	41680	14988	34371	11503	4083	0	0	0	0	0	0	0	0	0	2112	9071	0	5426	2625	0	0	39076	7188	6138	16884	11546	0	0	2379	0	19901	4607	0	7991	8547	31111	55346	51404	2752	4153	0	0	2712	22642	0	0	70938	Phytochemical	0.7058824	0.8235294	0.0
10	C17 H14 O12	411.05582	411.05643	-0.03217137	411.0558	3926	4040	3361	3967	15638	3004	0	0	19202	0	1468	1368	30598	2688	1178	0	0	11480	12735	0	2061	5778	2782	2116	0	0	0	0	0	986	0	0	0	0	1608	0	0	0	0	0	1067	4448	0	0	0	0	0	0	1312	0	4008	3922	9238	0	12148	17541	4611	2239	0	0	0	0	40353	24607	5538	20167	5706	0	0	0	1500	0	0	0	0	0	0	827	2975	0	2633	870	0	0	20400	4698	2545	3604	3577	0	0	0	0	5820	2008	0	5014	2009	17512	32979	22805	0	1728	0	0	1250	11523	0	0	42087	Phytochemical	0.7058824	0.8235294	0.0
22	C17 H14 O12	411.05582	411.0565	0.18310973	411.05588	8355	6303	5691	6795	13860	11925	0	0	21240	5634	9456	0	36264	0	3402	0	0	25287	0	0	0	12991	4362	0	0	0	0	1378	0	0	0	0	0	0	10766	0	0	0	0	9505	6360	5181	0	0	846	6084	9255	0	0	0	6576	7818	14016	777	20463	19656	7545	0	0	0	3957	5415	53076	25152	5496	21006	6135	0	2390	9481	3113	0	0	0	0	0	1125	0	4323	14264	6843	0	3345	3513	27249	10464	5715	5301	7752	0	5778	0	0	15349	29100	0	6692	3861	12861	31647	22824	0	0	4794	6174	0	27360	0	0	50655	Phytochemical	0.7058824	0.8235294	0.0
20	C21 H14 O9	411.07104	411.07153	-0.05740557	411.07104	26400	20817	19736	18254	26010	15752	8409	4865	30785	47045	26132	4905	38691	11727	8769	11954	6878	37622	40835	27683	36885	56118	11340	8170	8470	29584	6369	12061	5677	2855	4439	0	3981	2027	62087	1971	8332	9735	4105	24479	27162	11329	755	0	0	21410	32080	619	3653	4077	20339	24426	19427	0	26231	25136	18926	11331	6638	7922	10306	22561	44706	31824	14690	31908	16022	4231	25184	31480	44967	1980	2893	0	1902	4854	310	3601	22130	39737	20255	16574	8161	18620	40642	21024	19777	16821	19215	18644	11351	11697	13026	62513	49300	0	18491	19060	34940	31783	35605	9921	6796	7483	21587	9474	26669	0	8777	51817	Phytochemical	0.42857143	0.6666667	0.0
16	C21 H14 O9	411.07104	411.07156	-0.027083468	411.07104	12365	15191	17741	11971	12064	6700	2868	0	16330	55340	27750	2538	24572	7252	3654	5916	1881	20928	23675	20136	28893	36643	5568	2991	2816	17142	2677	14196	1771	0	1479	0	2962	1971	63715	0	5063	4579	1661	18701	21513	5462	921	0	0	14153	21067	357	1647	1605	12870	11021	10011	0	19295	12238	7403	2444	3573	4657	0	13742	34083	15052	6861	17086	8965	2756	24697	28689	30777	0	0	0	1678	1521	0	2342	15852	22672	10215	18126	4327	11143	20380	10914	8475	8372	5348	0	3651	6937	0	41842	46600	0	11935	8988	17375	18542	18311	4556	2032	5220	10031	0	12997	0	3775	32788	Phytochemical	0.42857143	0.6666667	0.0
26	C21 H14 O9	411.07104	411.0714	-0.13658066	411.071	8086	6442	6267	4758	8826	4456	1737	0	9700	12213	4445	0	12631	3566	0	0	0	16153	15965	4863	7904	17936	0	0	0	0	0	1955	0	0	2505	0	0	0	19117	0	4890	0	2279	6020	6607	0	0	0	0	0	6609	0	0	0	6632	3319	7665	0	12206	7458	3343	3713	2871	0	0	0	17665	12382	3055	10651	5203	3295	7980	7916	9404	0	0	0	0	0	0	0	12197	11325	7791	5000	0	3025	14125	7706	9817	4348	4949	2350	1613	1771	0	17721	22967	0	8039	0	6838	11311	7867	0	0	0	0	3207	7439	0	4748	16204	Phytochemical	0.42857143	0.6666667	0.0
24	C21 H14 O9	411.07104	411.07144	-0.17330064	411.07098	8169	8944	10117	10834	11376	5468	4372	2794	16367	12636	7269	3008	17935	6669	4121	4841	2216	19594	17031	5799	6910	17388	7217	3770	3888	10164	4416	4349	1819	1599	2563	2768	3863	1409	21621	0	5737	5103	2127	7164	8986	3483	0	0	0	6645	10857	0	2598	1653	7414	8870	11077	0	18568	11851	5574	4670	1970	4382	2803	5341	24749	15028	9479	18446	7701	2808	9931	9862	11645	2263	1806	0	1595	1784	0	1273	12325	15856	10575	4763	2406	7271	19200	6932	11000	7234	7336	4496	4663	6712	5419	25230	35298	0	6678	7169	11424	14796	13391	1739	2838	2551	6886	3334	9724	0	5418	18143	Phytochemical	0.42857143	0.6666667	0.0
14	C21 H14 O9	411.07104	411.07162	0.011725329	411.07108	6733	7926	7143	4818	7400	3479	0	0	8425	30493	21556	1482	7848	5078	1835	0	0	11000	9459	9707	15422	16903	1637	0	1460	10726	1071	0	1680	0	0	0	1574	0	40257	0	0	2163	2395	6813	9182	3576	0	0	0	4615	13169	0	0	0	8113	5336	8018	0	4535	10354	3835	2154	0	0	0	4887	17086	8231	3930	10956	6010	0	0	10992	18786	0	0	0	0	0	0	1420	6188	0	4986	9698	1200	4247	8539	5005	5878	4310	5665	9747	0	4894	4256	24265	22583	0	6891	5947	9943	11600	9129	0	1528	2177	0	3435	7126	0	2046	12819	Phytochemical	0.42857143	0.6666667	0.0
28	C21 H14 O9	411.07104	411.0714	-0.18526536	411.07098	3653	5128	7528	4120	7306	2547	2266	0	6371	6746	2334	1069	12478	3830	2835	2707	2134	10110	9985	2876	6355	13769	3547	0	2584	0	1985	1201	0	0	0	0	2178	0	10201	0	1325	2744	1200	3836	5543	0	0	0	0	4060	6215	0	968	0	4231	4633	4994	0	9290	5286	2191	1909	0	1929	0	3077	13211	7079	3168	7423	3717	1451	5087	4968	9128	0	0	0	0	0	0	1508	9048	8924	5795	2345	2298	2627	12916	5132	6246	3038	2863	4286	1383	1986	2561	15765	20064	0	4714	5008	4267	10069	9041	0	1069	3929	2343	1943	7446	0	1302	12574	Phytochemical	0.42857143	0.6666667	0.0
22	C21 H14 O9	411.07104	411.0715	-0.097867034	411.071	17516	18409	12906	13413	18629	15415	6749	7414	23762	21317	16577	4348	28176	9120	8999	7271	5802	38176	24732	13242	18936	31081	12440	4654	7261	15928	7841	7354	2017	2517	3285	0	7969	2416	31474	4897	8656	10936	6533	12778	14808	7122	0	0	0	11181	16331	0	3582	5290	18060	16971	14852	0	23330	19499	13864	7152	7111	5083	7295	12952	30771	25300	14559	24860	13965	6364	12630	15925	28136	3120	1434	1472	2843	2586	0	4068	23826	18610	19159	14227	6945	13544	34675	18112	20385	13347	14935	9822	3382	5784	9187	40742	44674	0	13517	13917	21651	27266	19222	6370	6592	8458	12842	6934	24763	0	8867	35455	Phytochemical	0.42857143	0.6666667	0.0
18	C21 H14 O9	411.07104	411.07153	-0.100251935	411.071	15571	22457	19288	15352	25666	14074	3192	3186	23034	54646	35201	5351	39474	12411	5317	4700	4185	29516	31680	40974	41059	45880	14249	11694	3594	33877	8439	16040	3364	0	4696	3638	5306	0	78101	3166	8008	7662	8476	23387	28970	9658	576	330	0	20980	23926	0	5266	3032	20878	18819	18405	0	31379	24937	16894	6819	3971	5263	5506	20866	43551	28564	12301	35290	16000	4680	30729	31027	47702	2563	2358	0	0	0	0	3446	21982	44154	16303	25344	4905	15723	34758	22126	14569	12698	14968	10618	8802	12564	5008	57483	81089	0	21705	18080	28419	26045	29881	4961	5378	5775	19415	6298	21325	0	8351	36601	Phytochemical	0.42857143	0.6666667	0.0
10	C22 H18 O6 S1	411.0897	411.0903	-0.088977545	411.08966	2872	1879	1284	0	1544	3525	0	0	3990	0	0	906	2540	0	0	0	0	1839	1201	1935	0	0	0	0	0	0	0	0	0	1042	0	0	0	0	2785	0	1497	0	0	0	0	0	0	0	0	0	0	0	0	0	1616	0	2875	0	2441	2569	3283	0	0	0	0	0	3863	4595	3989	2799	0	0	0	0	0	0	1130	0	20762	855	0	0	2231	0	1274	1518	0	0	2762	2824	0	0	0	0	0	0	0	2387	0	0	0	0	3850	2714	2401	0	0	0	0	0	3603	0	0	2571	Organosulfur	0.27272728	0.8181818	0.0
8	C22 H18 O6 S1	411.0897	411.09036	-0.041324604	411.08966	0	1092	0	1230	1538	980	0	0	2789	0	0	688	2227	0	0	0	981	1026	1428	0	966	0	753	0	0	0	0	0	0	0	0	0	1280	0	0	0	1009	0	988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1480	1356	1448	0	0	0	0	0	1469	3737	0	1524	0	2760	0	0	0	0	0	0	30692	0	0	783	0	0	0	0	0	0	0	0	0	0	1321	0	0	0	0	0	0	0	0	0	2961	2894	0	0	919	0	0	2247	2726	0	0	2241	Organosulfur	0.27272728	0.8181818	0.0
24	C18 H18 O11	411.0922	411.09274	0.13656132	411.09225	3292	3903	5251	4509	6656	7140	2160	1420	9750	6459	2975	2583	20320	3824	2946	1800	1285	13852	8050	4733	6461	5829	2564	1250	1506	0	1359	1933	1278	1591	1193	0	1075	1481	8845	0	1924	2161	1392	5356	2220	2019	0	0	0	5345	11035	0	0	0	4861	2984	4570	0	14796	9382	2871	1508	2913	1806	0	4812	22633	11089	1957	9195	2747	1963	2232	3180	4383	1684	1466	0	0	2476	0	1188	3647	4869	5417	5525	2044	1976	11162	3655	2858	1039	4241	0	4917	3083	1613	5568	4630	0	2501	5225	5859	8353	5719	1560	2143	0	6687	1517	5984	0	1865	18408	Phytochemical	0.6111111	1.0	0.0
16	C18 H18 O11	411.0922	411.0927	-0.061507616	411.09216	104493	105414	110472	93122	172971	118848	29850	43893	224094	119452	79225	47455	327235	77859	73828	47250	40395	254565	209363	96298	126688	157856	87278	53726	27854	15999	25205	32445	40718	41561	43241	38920	72045	40206	168726	39498	78424	64120	38762	86100	101387	53221	2947	733	650	97089	156904	763	43812	42140	102360	110028	119912	704	243746	141244	74387	54225	67418	42678	50576	90849	316415	199780	61452	204437	90622	45183	70428	44502	84384	50885	39729	28521	34199	38457	518	50212	75266	97470	63684	119608	22216	35336	158750	82165	64301	58958	73039	27719	27258	67177	62620	125224	109158	1143	100138	94138	142552	140566	123768	52779	55783	41092	114247	63909	129950	783	32331	333246	Phytochemical	0.6111111	1.0	0.0
14	C18 H18 O11	411.0922	411.09274	-0.044818122	411.09216	163353	157875	156607	164106	216067	152297	48634	71232	321637	197096	165668	82188	443388	102698	95603	68129	62938	300442	279439	149020	225520	273848	120954	75968	31183	19959	41392	58713	49486	52735	64246	54453	102864	53110	259343	52040	97968	82106	63695	114316	164220	107097	3543	441	376	124079	244858	740	63436	61307	144680	136425	159972	808	338826	196103	108287	72480	100108	61020	81990	140021	486871	327058	95789	277322	130206	54679	99282	62477	122257	65645	62881	43948	53069	57183	304	74758	115968	121850	101820	127778	35633	37090	217597	111506	92778	103674	124818	67196	48926	87392	104745	230940	158297	1049	163337	154848	196415	219285	184146	103942	77307	83453	197076	94975	174071	431	45244	427978	Phytochemical	0.6111111	1.0	0.0
22	C18 H18 O11	411.0922	411.09277	0.17643577	411.09225	11793	8012	6050	9336	17319	11513	3143	3062	22237	13393	10100	3117	29763	7150	8054	4920	4576	27670	12582	7061	11756	13249	10065	3640	2310	2477	1671	3239	3862	3257	4625	0	5908	3695	9815	2455	5311	5701	4282	8159	6994	4537	0	0	760	14820	21550	0	0	2709	12296	11130	10802	0	23854	16991	9520	2913	3953	3055	1487	10617	32610	20121	6719	27065	5290	0	4361	5323	8774	2365	3021	3165	2090	3439	695	7087	8724	9921	8002	15675	4022	4417	20249	10319	5246	4117	5799	0	4061	6803	4896	13165	14424	0	10804	8589	13750	16258	15630	4731	5281	4004	17367	3270	14753	0	3515	39457	Phytochemical	0.6111111	1.0	0.0
8	C18 H18 O11	411.0922	411.0928	-0.08786054	411.09216	46031	44444	33602	45862	61948	29406	11359	19605	79884	73286	76050	27095	112181	25773	16618	27193	29916	63211	75204	43865	74366	67337	36897	25278	5053	6110	13723	17907	14913	12925	16699	17466	21256	14691	85976	11514	23833	22749	28335	30701	62725	31332	678	0	0	27332	49560	0	21722	17480	44729	51759	40773	0	79885	75329	33910	23382	14858	33496	27395	27127	141830	92483	39151	76172	36182	30209	28611	16525	40336	20038	17670	10887	15261	15426	0	16370	45082	36479	34536	15626	9179	9336	88300	31714	35224	34695	32916	39627	0	20272	36091	77994	55207	0	45087	41161	78133	112379	96400	29037	20248	20551	34256	24023	72557	0	13282	114568	Phytochemical	0.6111111	1.0	0.0
6	C18 H18 O11	411.0922	411.09286	-0.08408264	411.09216	11046	14250	11632	13202	21441	9622	3026	4071	30464	20311	19658	7687	39919	6232	6099	7074	7714	25555	24770	8200	20990	15153	9175	7005	1468	1635	3831	2434	4690	2657	4073	3085	6867	4242	21249	3453	7151	6524	8507	5205	12166	9287	0	0	0	5532	9399	0	3600	4048	11920	11693	15504	0	26565	27407	11025	5309	3742	7779	7201	6937	49487	23914	12775	26857	11088	8901	9742	4770	10806	4947	3591	2530	3275	3158	0	3686	13130	4307	8536	2717	3231	1445	31659	13479	10252	12971	10950	9586	0	2173	10178	14809	10065	0	13941	11740	22445	41703	41463	6258	5570	4031	0	8166	27395	0	2736	46258	Phytochemical	0.6111111	1.0	0.0
0	C19 H19 O5 N2 S1 Na1	411.0985	411.09976	0.06391314	411.09854	0	0	0	0	0	0	0	0	0	0	20777	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1552	0	0	0	0	0	1876	1774	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	731	0	7947	0	0	0	0	0	0	0	0	0	Organosulfur	0.2631579	1.0	0.10526316
6	C17 H18 O10 N2	411.10342	411.1041	-0.098735936	411.1034	11516	13030	10658	12478	14678	6184	3034	9321	21880	9131	16969	12144	23275	3660	5246	11878	10629	17865	23173	11935	25544	16406	10325	11793	1221	698	5067	0	5748	8454	8494	7152	14153	8335	18863	7135	12826	7177	11948	10060	25836	11186	0	0	0	11315	18136	0	9352	8917	13801	14235	13324	0	25832	18207	9199	8449	6587	9714	11267	11500	41604	24060	11769	20545	11279	14197	4228	2579	6101	7685	8614	5192	6743	5741	0	6530	6896	5863	6209	5577	3337	2449	21382	7323	6429	16350	14592	16195	0	5477	17569	14435	9469	0	11985	10561	11948	20459	16382	14357	10410	12270	8312	10936	13417	0	4551	39347	Phytochemical	0.5882353	1.0588236	0.11764706
16	C17 H18 O10 N2	411.10342	411.104	-0.001766926	411.10342	11916	11387	12180	13251	12444	14794	6461	8927	19850	8778	11273	13181	26796	8053	9003	15057	19466	20853	25482	6724	12738	26054	17808	12756	7307	2513	8077	0	7991	7049	8085	4915	22481	8239	13830	6982	17817	12532	16311	12716	18686	9726	422	0	0	7046	23227	0	14782	5857	13972	12468	13857	0	20028	11894	8225	8887	6913	7968	8260	10801	33807	25107	8392	21569	10273	18403	5449	0	3039	6572	5602	7969	10075	6298	0	6798	14078	15254	10240	11150	2945	4061	12542	10083	12601	13665	13543	0	5733	12369	0	15709	11821	0	15775	13726	11744	14480	14270	11998	6901	5344	11823	20190	11727	0	4923	34481	Phytochemical	0.5882353	1.0588236	0.11764706
8	C17 H18 O10 N2	411.10342	411.10403	-0.08969071	411.1034	29671	28344	21987	34220	26924	14660	10022	21705	39774	31319	32947	28584	51631	6510	18892	21976	32351	35046	44045	27165	54461	51355	28755	20550	4326	1515	9634	7887	14097	15629	19050	17752	27015	19625	44337	15976	28195	18132	29547	30803	61002	23851	0	0	0	28548	58909	0	19197	21401	29527	30629	22498	0	47440	31288	21397	17421	16546	28876	25286	33274	76912	51648	23970	39894	25032	33306	13535	5589	14896	22253	18774	13904	21673	19539	0	14601	17923	14358	15603	18672	7950	6717	35373	15212	17386	34053	32968	34498	0	25854	35129	42910	28389	0	35250	28032	30451	35533	34385	30153	22043	25270	24661	24574	23477	0	10945	76452	Phytochemical	0.5882353	1.0588236	0.11764706
10	C17 H18 O10 N2	411.10342	411.104	-0.082120806	411.1034	41942	48567	34086	37921	35629	21297	12232	24924	50760	40172	43921	39198	72692	12587	24330	28272	33284	55484	59018	33494	69139	64959	37033	29814	8834	2047	19064	9261	19092	20333	20844	23883	41767	23085	62351	22502	32965	24209	37449	45378	85449	28490	0	0	0	36378	74338	0	22921	28410	41896	39569	29058	0	66208	38386	22702	29459	28863	40531	41347	45729	88675	62216	26261	47970	31769	45733	14328	7222	20498	26920	26314	19978	25063	18565	0	25779	31245	31536	23904	30260	11579	8630	46358	20027	25586	42011	36743	52357	5158	25136	60772	48773	39021	0	43465	40570	31541	39508	40489	45282	27196	27478	42110	37274	30689	0	14056	89819	Phytochemical	0.5882353	1.0588236	0.11764706
12	C17 H18 O10 N2	411.10342	411.104	-0.04094155	411.1034	29386	35249	30668	35290	34448	21924	10999	31303	45796	33304	44547	28342	56092	11226	25884	21330	32833	54807	50892	33322	55021	80205	33289	27441	9240	2124	13998	11296	20118	18065	25351	17640	35644	18327	61269	15047	29991	20671	33109	38213	76392	28932	640	0	0	31455	76978	0	23417	21057	34862	37476	33945	0	64121	30869	21543	25328	36328	38872	18746	51352	92190	56041	20148	56194	28180	47539	0	8041	19840	20946	18533	17879	23418	15671	0	21909	25275	21637	21452	29383	10244	9372	44063	20085	28108	29721	27841	58283	9878	26267	46236	54741	28826	0	29944	38524	32243	32010	32301	32270	25451	18300	37231	35504	29651	0	11929	87887	Phytochemical	0.5882353	1.0588236	0.11764706
14	C17 H18 O10 N2	411.10342	411.10397	-0.021135015	411.10342	24884	28097	21858	21741	27067	17901	9670	15248	31794	25230	23327	23680	50846	10896	13382	21430	25057	36214	32146	17938	28590	54057	20384	14078	9840	0	8721	0	13124	12081	12317	17625	26937	10702	40551	12525	23066	16853	25797	22423	41616	15582	0	0	0	23472	38329	0	12383	15293	18592	20733	19162	0	40364	21252	13811	16721	17579	15535	0	32017	51608	41200	16965	37252	19909	23560	0	5307	11574	14710	9409	10210	18433	12298	0	17026	19337	16250	14330	20899	5662	8633	23356	13841	17956	25367	20372	35599	6863	19055	39681	35792	28328	0	24065	23715	21240	23764	21393	24276	18155	20383	33964	24809	16755	0	6862	54493	Phytochemical	0.5882353	1.0588236	0.11764706
20	C22 H18 O8	411.10745	411.1079	-0.093248144	411.1074	56529	59082	55569	50353	58405	35642	14514	14829	78884	180792	126528	12418	73658	37227	17627	15407	12889	71995	66960	130669	149205	99564	29937	20560	21868	191950	14229	91013	10862	11443	11939	11696	23728	11726	225121	11630	23197	15618	14020	88424	89173	25133	2411	0	428	72902	88523	598	16429	16264	56002	57284	51402	413	52099	48956	31196	22261	19214	19251	18111	63766	81275	54896	30604	67180	30260	18035	156901	204761	250228	13146	9723	2541	11617	11389	423	14826	46119	86463	37451	61804	19933	73919	70750	40516	47344	31725	34278	29024	43794	46809	32590	115424	130326	713	56820	55035	60965	60793	56270	22478	12991	25376	56925	20362	59165	0	21966	67408	Phytochemical	0.36363637	0.8181818	0.0
26	C22 H18 O8	411.10745	411.10785	-0.1397036	411.1074	7650	8172	7024	7498	9025	3654	1522	0	16503	25391	16037	0	21331	4217	0	0	0	15718	14707	15677	19806	24043	5521	0	8791	22575	0	11625	0	0	2270	0	5364	0	38120	0	4841	4243	0	11209	17746	0	0	0	0	10614	13195	0	4439	0	10742	11624	5582	0	12786	10859	4745	3893	4467	0	0	6903	19686	10673	2734	14129	6583	3618	30662	36039	52287	0	0	0	0	0	0	0	10164	15673	8964	10239	2839	8010	18562	9118	9374	5561	4713	1954	4510	5903	8504	24081	37091	0	9273	10542	8862	14283	14136	4652	0	0	0	4759	9880	0	4280	16305	Phytochemical	0.36363637	0.8181818	0.0
22	C22 H18 O8	411.10745	411.10788	-0.15048793	411.1074	37836	39565	35495	36091	33256	26169	10744	9158	49368	125085	76834	7287	52814	28541	17406	14806	8318	55271	49162	75341	89523	72285	18492	12403	14485	133783	10263	58689	8764	4624	7861	0	15734	7665	126830	4733	17981	14642	9767	57123	63642	15174	0	0	0	57535	63328	0	13134	9092	40640	40118	33742	419	55028	36710	23080	12740	16361	13825	11986	40984	55972	37235	23536	45941	29427	12997	115540	150417	167435	4669	4766	4872	4457	5499	445	8446	39589	66417	28145	47588	10397	42205	58823	31781	31636	21828	19927	22281	22976	26696	19191	80376	95225	0	36070	39610	46760	45865	33892	15627	7704	16489	38270	16581	36347	0	13956	59681	Phytochemical	0.36363637	0.8181818	0.0
12	C22 H18 O8	411.10745	411.108	-0.12326575	411.1074	11310	7870	7621	7864	6849	3340	3594	4538	6842	20643	21092	3275	6725	3747	4388	5080	4422	7128	7303	20117	16736	17659	4017	5700	2683	22764	2538	9659	4917	3266	3343	4590	3889	1972	41751	3057	3387	3687	4199	16034	14248	3150	0	0	0	9168	18052	0	5471	2014	11197	5379	5521	0	7481	6007	3693	4488	7585	0	0	5897	10608	8404	3317	7643	4724	5393	18441	30833	35229	3346	3413	3052	5417	3246	0	3356	4662	0	8591	11201	4059	8839	10175	5265	7685	3717	3211	6757	6414	5482	5572	10195	13225	0	9620	7564	8929	8226	6598	3964	3784	5061	0	5114	6326	0	3171	8146	Phytochemical	0.36363637	0.8181818	0.0
14	C22 H18 O8	411.10745	411.108	-0.036926925	411.10742	23131	22266	20657	21550	14297	9640	8704	8482	19717	67380	53222	7786	17128	10288	9820	13051	5573	19327	16997	42978	46420	40929	11433	10265	8243	62992	6091	36938	5675	7110	6311	0	9744	4042	70287	6119	9019	8865	7079	32787	43971	6654	0	0	0	26766	36556	0	8619	6714	20520	21019	11195	0	20176	13030	10381	12756	7275	9073	0	16438	21325	17432	7523	15915	9937	8117	55110	71209	102335	5146	6304	7922	5967	7600	0	7543	19591	19458	13721	26790	9064	22799	20580	10586	20031	13095	8043	17187	14547	12876	12377	31810	36018	0	17538	20626	16698	16993	15701	7265	6994	11091	22637	10110	16012	0	12795	20478	Phytochemical	0.36363637	0.8181818	0.0
24	C22 H18 O8	411.10745	411.10785	-0.1439147	411.1074	19092	18768	20825	19721	27306	10052	3331	2095	27674	53714	34546	4209	33523	12282	8045	4413	6097	30467	24446	33672	35905	36381	7415	5597	6154	54622	4867	22583	1759	2652	1479	2820	6362	2270	62040	2208	8113	4046	5976	24828	31474	6967	0	0	0	24527	35713	0	5186	2424	18409	14479	19798	0	20732	18980	10792	6960	4942	6344	7179	20932	38613	22079	7451	29735	11758	5486	59460	58849	85382	3055	2608	1947	3293	2151	0	3685	16738	33725	15635	18901	5370	23170	37519	16581	13467	9047	9252	7887	8662	9394	6174	48833	54397	0	19480	22531	21101	24934	20601	8023	3440	5767	20504	5448	17175	0	7418	28762	Phytochemical	0.36363637	0.8181818	0.0
16	C22 H18 O8	411.10745	411.10794	-0.06691286	411.10742	42089	38069	38986	46918	31286	17332	10144	9549	43762	143200	86091	8931	41814	19783	13846	18813	9168	40015	45731	85075	81878	55848	27387	19923	11058	132972	13307	56433	9501	10752	12905	15664	15774	6880	157286	9923	18506	13372	14923	55472	62796	16597	990	0	0	48228	59064	0	11099	8968	36987	37983	25464	0	29534	30410	21125	20485	15818	16897	13662	39462	45870	29936	15140	36736	18954	12029	107699	157556	169291	11631	10488	4490	10013	13349	0	9220	34236	52544	22777	47882	16538	46227	37498	22612	24686	19727	19000	27455	25560	26096	0	60529	71915	0	32954	37123	35523	37128	33061	14901	11657	19599	37822	0	32217	0	15584	36010	Phytochemical	0.36363637	0.8181818	0.0
18	C22 H18 O8	411.10745	411.1079	-0.06189006	411.10742	47547	72922	51459	50125	55332	32172	17728	17519	53109	206486	142720	11120	68520	32173	18443	21412	13331	63283	81451	128302	133470	103753	26552	27523	20721	191583	15489	98684	23791	13090	14124	15545	22441	10429	230779	7965	26137	18784	18031	97330	85020	20647	1676	0	0	63543	73366	420	13623	11140	60823	51990	40204	0	60081	42586	26871	22794	18849	16753	25862	60879	90296	47341	28317	58891	38972	14223	158993	211499	255278	13898	11556	10267	13165	18497	0	10907	44070	77457	32300	67095	17902	66696	58551	33434	45991	24932	29306	24991	42529	38265	29827	91341	135182	0	52714	52501	61475	52347	49814	22146	12571	25024	47447	18814	50757	0	23915	63947	Phytochemical	0.36363637	0.8181818	0.0
28	C22 H18 O8	411.10745	411.10782	-0.18410712	411.10736	4708	4688	5015	3702	6872	2504	1462	0	5369	16476	6773	1046	9411	3092	2727	2031	2197	8910	6571	7960	11406	12161	3118	3878	2592	13187	1152	5790	0	0	1822	0	1119	0	16214	0	1702	2051	1345	6326	8620	0	0	0	0	5249	8952	0	1839	0	5152	5792	4427	0	8791	6304	2991	1488	1334	1435	0	4100	9840	6290	1885	10319	2870	1327	15528	19931	34163	0	0	0	0	0	0	1044	5712	10263	2682	6105	1977	6656	9750	6342	4871	2784	2104	3069	3153	2993	2365	15904	17556	0	5455	6110	5145	7888	6214	2407	0	0	3826	2926	6401	0	2029	10755	Phytochemical	0.36363637	0.8181818	0.0
6	C23 H22 O5 S1	411.12607	411.12686	-0.09818379	411.12604	0	0	0	0	0	0	1002	0	811	0	0	838	0	588	0	0	0	0	0	0	1013	0	783	910	0	0	1223	0	0	661	731	0	0	0	0	0	0	0	0	0	1528	0	0	0	0	0	0	0	0	0	0	0	880	0	916	1120	877	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	942	0	43512	1243	0	0	886	0	1291	0	0	0	0	1619	729	0	0	0	0	0	1130	0	0	0	0	0	0	0	0	0	0	0	0	1652	1376	0	754	0	Organosulfur	0.2173913	0.95652175	0.0
6	C19 H22 O10	411.12857	411.1292	-0.10903535	411.12854	55820	25522	45178	26120	16237	12403	14721	22210	24950	41248	68096	17205	40638	9540	15215	24050	41334	47706	28651	61440	95924	54098	44838	56128	6939	13209	13272	15599	20504	33624	33778	20445	21357	41320	79870	42812	40552	32418	59854	37806	32291	28574	0	303	404	19263	32171	402	23313	20731	25546	25968	28522	491	27849	49446	25362	43690	38136	27107	20969	17559	31528	43510	29606	19030	19602	60924	22284	21311	35366	17499	21348	19147	12111	38804	335	31484	21494	9650	39154	14916	25482	9110	28421	15262	21906	30428	18454	24778	8532	14629	22302	38046	41442	555	43312	22922	20100	25091	27094	22932	34188	25300	30579	20945	22652	0	12986	55990	Phytochemical	0.5263158	1.1578947	0.0
24	C19 H22 O10	411.12857	411.12906	0.06852263	411.1286	12269	14049	12543	11342	15873	13431	3996	11037	13817	30116	10380	9029	25124	5812	15817	11097	5786	26200	22718	22507	22914	14594	15508	14746	10028	9773	3188	5407	8747	6171	10013	9689	13630	12218	28713	11303	12612	11943	9748	18793	17660	5722	0	0	0	23427	21625	0	11727	9129	13486	15490	11530	0	21421	14253	6587	14174	9427	6295	9678	15445	18918	19268	6511	16977	9270	7163	10974	25645	18458	11670	10118	9434	4448	8058	0	10947	14668	8857	13660	15036	8363	12453	16087	7958	8007	5518	9008	5969	8917	16453	11880	11280	15310	0	10170	14913	10516	12738	11576	8268	9322	11015	17599	11210	8900	0	9802	23339	Phytochemical	0.5263158	1.1578947	0.0
22	C19 H22 O10	411.12857	411.12903	-0.077881865	411.12854	41598	41602	39684	38465	48930	31759	21161	41380	47282	77642	27885	26226	64781	23117	47978	32278	20395	65554	49627	51524	74496	34059	44782	37515	28913	21283	16852	18479	34093	25830	35342	39912	36319	33899	68584	32031	35593	35311	22308	48351	34813	19647	2675	0	1454	59437	64833	0	29609	36129	45411	40309	38750	1456	64605	42080	26952	34825	31757	18308	33703	43092	66959	55256	23755	54540	29663	23494	35290	60244	50957	36904	28761	34546	19542	33707	1514	27847	48839	22678	48411	45735	21010	26358	44163	35283	33477	26545	27926	21570	30208	38266	38870	29723	36075	0	43056	35744	38434	38634	34121	34100	26721	40631	46894	32332	34896	0	22685	75539	Phytochemical	0.5263158	1.1578947	0.0
10	C18 H22 O9 N2	411.1398	411.14038	-0.11027693	411.13977	238424	216114	210903	204938	104930	113093	150368	264314	156060	278483	167009	195809	162022	51325	201320	240796	207054	196559	236461	292685	289757	358121	213421	282431	119213	43969	143697	104635	233211	217711	235599	264631	316202	215194	334659	230705	301243	168898	242939	318327	284314	133108	2324	0	0	259427	276242	0	258355	227965	243674	233937	135597	601	226291	96760	89322	244561	294513	211468	269388	220801	189267	173286	93288	162266	145943	269294	71023	98901	107070	254995	227929	229928	172087	201314	0	175621	182893	135668	167150	169111	146516	110266	123826	101428	163266	146268	154119	240262	173277	242196	378183	195523	206742	758	223330	228799	96526	93934	90982	268647	186927	294675	286771	254244	98743	0	130296	235537	Phytochemical	0.5	1.2222222	0.11111111
12	C18 H22 O9 N2	411.1398	411.14035	-0.094814405	411.13977	208016	197279	204271	204699	107443	110113	168564	276086	149590	212967	137445	153597	154886	48484	202247	184252	186920	209500	229776	235935	250963	353404	207843	238605	135116	30632	119943	89147	225166	184413	235054	212124	298262	184398	321144	198061	254491	180090	177863	266065	262331	128931	1625	567	0	248057	242568	0	223557	218775	199709	193845	116590	276	225796	89671	96115	239454	305319	176358	237561	234214	205823	156041	75393	162895	139889	190363	90511	102601	100302	223471	198842	206635	141196	176382	0	183488	161021	134928	150799	156854	135430	97656	95061	93346	159035	114887	152617	232587	147315	257922	311829	163222	150556	847	223837	224847	93326	73339	74518	245067	156518	227519	208156	230501	87918	0	133288	246631	Phytochemical	0.5	1.2222222	0.11111111
6	C18 H22 O9 N2	411.1398	411.14047	-0.10017883	411.13977	73060	90051	73726	76540	38705	33316	39956	89795	65226	91005	66865	65398	74299	17530	55371	93460	92052	76133	85437	78812	119443	122379	69737	97465	25674	9293	40979	28535	67414	67748	74213	84149	94193	67785	125959	72860	83688	54564	111137	70034	142552	49784	0	0	0	78526	139417	0	85758	75989	86076	75921	48850	0	74533	42650	37738	81009	66605	100254	96891	63988	94152	62811	34179	69003	60356	120310	25036	24117	43189	76203	73552	71601	48222	67639	0	47594	51563	48120	47452	45858	40592	31115	55282	40523	54836	61493	62355	113900	48280	64965	121268	75718	76667	0	82134	73438	33019	45340	51088	97152	61187	100923	79115	78784	40132	0	41018	101557	Phytochemical	0.5	1.2222222	0.11111111
14	C18 H22 O9 N2	411.1398	411.14032	-0.15323755	411.13974	135179	131481	122964	138440	77571	91751	103209	156828	107703	136092	79732	103128	137274	38151	146631	130239	114390	140486	136000	139448	153014	225304	128993	164797	114055	18836	80582	60878	135336	131835	139899	140354	178341	119975	178839	144397	173716	125396	105369	149932	131580	93511	0	390	0	137912	136885	0	141924	138659	120863	121891	88065	277	153461	65869	68740	157333	229049	97190	141991	122821	115636	113160	65137	107835	102310	96853	31163	65895	48480	139594	124950	128061	96921	114486	0	120129	105694	77896	104890	92161	89232	63091	63942	70138	114531	103986	95609	154937	126031	164792	256888	95704	113392	0	131165	117951	53229	55596	59253	161384	112342	174148	147741	169106	61884	0	96202	157435	Phytochemical	0.5	1.2222222	0.11111111
16	C18 H22 O9 N2	411.1398	411.1403	-0.13258043	411.13974	57379	63657	66646	60323	30263	45540	51107	73095	53291	53188	31943	46069	71709	18609	77501	67302	53501	64711	68875	53055	50155	85527	70422	76878	57323	7044	41750	30181	59657	62887	59914	65995	76097	61152	75000	60386	88906	64980	46730	73648	45580	38083	1200	0	0	53867	51021	0	72387	69893	60304	60370	43580	385	70109	32981	30994	61252	79049	38773	66979	45087	45007	50156	33905	50462	55225	42620	15386	27673	17833	68002	56513	65975	43200	56169	0	56704	56212	37161	50348	41426	45633	29704	35081	36561	56189	45272	50756	57301	55880	81848	117197	39414	53194	0	54384	55981	30515	24189	30377	72494	49695	60088	34745	87082	36935	335	46617	77413	Phytochemical	0.5	1.2222222	0.11111111
8	C18 H22 O9 N2	411.1398	411.1404	-0.09740513	411.13977	174161	188665	139371	178181	79566	120307	98943	189552	110330	194098	136621	136864	130925	50653	131809	177813	171955	128691	177963	201105	234218	258935	154639	207609	68533	22055	92528	72153	156668	154095	164179	178412	220323	155461	272172	155274	213737	126466	210317	221673	279179	121600	744	0	0	191955	258927	0	199345	175988	168175	177893	102383	0	161789	73791	77850	160623	179761	181296	210594	164396	169248	142384	78236	130124	115160	213458	64114	63498	84527	188850	163200	139727	129626	167660	0	130152	125557	106463	110685	118948	103953	87430	91488	71221	110568	121064	130102	203749	108302	181199	252887	162069	170127	522	169878	175201	76341	91198	82975	205762	130377	226110	146484	190509	83365	0	88977	177856	Phytochemical	0.5	1.2222222	0.11111111
18	C18 H22 O9 N2	411.1398	411.14032	-0.036795333	411.1398	152745	152174	132468	143978	114391	91764	77086	121524	111448	308199	214131	73735	154089	85551	110490	132060	86176	146440	178108	274161	257038	183887	118911	115485	94966	454086	75669	173785	104964	87221	97531	96640	126907	95244	303727	80217	130742	95204	97233	217747	190434	76783	3580	544	404	152420	147289	1008	111056	89890	138993	154063	101024	760	153230	115266	70393	126764	95257	68507	118219	140084	161226	104491	73012	140497	101093	83054	334576	430571	560944	101838	83379	89978	70920	96698	419	76880	127452	113916	115866	131626	82511	138122	130626	91792	128902	108014	99960	123302	118853	147713	191715	140109	177259	1332	162653	143503	116385	111921	106105	115403	72523	127304	87753	119617	93889	461	96257	144049	Phytochemical	0.5	1.2222222	0.11111111
22	C23 H22 O7	411.14383	411.1443	-0.12769027	411.14377	116100	117393	87419	100608	100522	71192	28349	44197	119695	258573	220536	37607	115860	67948	54985	64274	43198	111061	98307	241055	236864	118814	56458	71976	50769	443753	28648	194471	50819	42042	45355	31618	56580	44049	272249	41075	65935	49781	37531	166387	176297	48565	4885	0	4571	125641	122519	0	35043	47190	96711	108699	76616	4071	86082	86534	47428	63242	48384	38920	64594	119163	134980	77865	47991	116237	70791	41055	396728	485729	530767	45261	38673	22271	27629	30772	3325	40889	91092	92600	63585	91138	41862	120603	124016	76379	78557	62588	61002	55946	62970	69685	70601	123251	145790	0	92383	98465	95060	91425	88384	51800	39778	77057	97084	65213	83268	0	49892	123235	Phytochemical	0.3043478	0.95652175	0.0
28	C23 H22 O7	411.14383	411.14423	-0.23783553	411.14374	8040	6432	6885	7664	9373	3315	2323	2593	9829	17162	10660	2244	14120	5822	3752	3307	2978	9616	11423	18813	16442	8701	4541	5590	2167	28047	2180	12703	2180	0	1731	2900	3414	3130	21421	2837	4226	2548	2733	9704	14758	3186	0	0	0	6644	11666	0	2412	2720	7375	7354	7125	0	9866	8132	2595	5207	2155	3046	3125	5537	13944	5971	3233	11224	6425	4610	33592	32848	54879	1877	1428	0	2725	2151	0	2211	6364	9771	5254	6246	2909	8676	11764	6081	6603	3984	4845	5090	5313	5694	4474	11454	12656	0	9482	6089	7470	9793	9329	4105	2486	5035	4205	4887	7817	0	2490	10518	Phytochemical	0.3043478	0.95652175	0.0
14	C23 H22 O7	411.14383	411.14435	-0.18648	411.14374	30583	39262	31060	34897	19047	13614	30299	25291	23643	63926	51352	24395	22196	17594	24026	33003	23443	20417	27651	63874	58166	34469	26938	32340	20812	91319	19102	34129	18897	26915	27710	31680	27607	19978	59981	21112	28971	24992	29342	33820	56022	15205	0	0	260	32283	42620	0	29584	25346	37855	31714	20096	0	22081	20116	16446	30929	15021	35977	38852	32236	25326	18562	15201	25688	16666	33081	75131	90366	104894	28125	20928	24758	27818	27530	275	18607	30178	26208	26216	35034	27881	35518	30960	15337	29110	20127	22406	40071	24460	29996	33431	25526	33740	0	33079	31411	23866	22052	27081	25305	21077	37571	36189	27652	23847	0	25880	22310	Phytochemical	0.3043478	0.95652175	0.0
16	C23 H22 O7	411.14383	411.1443	-0.13625585	411.14377	64828	73186	61756	63733	52121	37305	41935	49418	57287	128357	93002	36155	63398	36975	35606	53514	37258	56708	58222	114832	133534	59902	49126	56206	41535	212303	29626	73531	32331	38021	47418	44257	47531	38197	136468	46582	47971	32736	48262	79114	96011	27241	2017	500	0	61852	80066	484	49557	47563	65074	68199	40911	0	48125	50272	33364	57425	42775	44888	57023	54246	61292	51577	24305	57157	38968	49071	166431	231759	268253	43271	38560	37890	35049	47536	0	37255	62602	57545	54492	57849	46874	76907	65086	34426	68187	29073	35535	60905	55127	51630	70309	60039	64446	669	58566	68073	47823	47221	50184	38416	29362	54074	41689	46416	44166	0	48819	52068	Phytochemical	0.3043478	0.95652175	0.0
20	C23 H22 O7	411.14383	411.1443	-0.10242891	411.1438	128745	140562	130656	131049	129168	90314	43724	70250	127104	306801	252062	50612	144349	90764	68083	79723	50893	131934	145609	309462	293218	154715	76753	80396	57649	579860	46892	229103	54173	54086	48329	61346	67984	57584	380901	49685	88196	53057	50246	197654	228562	64844	3970	804	336	151439	168158	1546	67670	60171	122478	137428	85919	736	109458	98200	68691	84538	63947	55279	80157	139363	153759	97923	62780	124592	95963	59553	480300	594965	718805	61142	48807	40426	43314	57210	618	50925	116467	118774	78157	99616	60280	172067	144551	75235	104848	69159	74941	87453	86660	96973	108531	133819	158112	1323	129356	124475	116679	111521	115130	76032	42933	95322	103589	69327	97275	1202	65878	151390	Phytochemical	0.3043478	0.95652175	0.0
12	C23 H22 O7	411.14383	411.14435	-0.22299825	411.14374	16972	16936	16690	17909	6538	4584	14421	14174	8352	19195	14491	10176	7116	3917	8348	20125	11807	6260	10425	23262	20847	16873	10931	14054	6695	26162	10231	13393	12364	16957	11870	12152	13053	10341	22803	12684	11533	9450	17281	22171	23114	8004	0	0	0	16918	19421	0	15330	10671	10937	15402	6368	0	8729	9228	5491	12088	7732	11369	0	10726	10116	5266	5146	9611	5215	13965	29301	32504	41801	12845	10194	14322	11898	12697	250	8787	12911	0	13344	12278	10115	9605	11542	7023	13597	6689	6229	25826	9787	14540	17748	10120	16064	0	14210	21817	9148	7475	7559	14089	10235	17100	0	10578	6396	0	13907	8593	Phytochemical	0.3043478	0.95652175	0.0
26	C23 H22 O7	411.14383	411.1442	-0.20130755	411.14374	20191	20198	18037	17123	21905	9596	3054	0	23705	33067	33023	4579	28996	12632	9718	7845	0	21069	23410	36482	39289	25168	9684	9126	7796	64299	3874	24747	0	0	6206	5716	6741	4827	50518	0	9334	5616	7245	23416	32678	7052	0	0	0	17587	27478	0	4592	0	16427	18413	16895	0	18732	20112	10796	7349	6354	5584	7721	16640	27140	16710	6284	24425	12994	7688	76557	76942	107977	3604	6106	0	0	5118	0	3434	16198	19143	12577	17235	6888	18706	25695	9672	17307	8743	7180	9265	7999	5584	9898	26498	29354	0	17115	17237	16231	25892	27301	6225	5019	11774	9167	8001	14279	0	9398	26165	Phytochemical	0.3043478	0.95652175	0.0
24	C20 H26 O7 S1	411.1472	411.14764	-0.012281934	411.1472	74110	94212	68068	66639	75769	56431	21048	30217	101908	179809	116707	27212	105341	41232	36818	50947	29455	101908	91296	154693	155101	99045	41607	47973	41686	219285	21361	96911	37403	20454	32966	27745	40095	30648	190457	25416	53553	26068	27011	120177	107698	30297	3059	0	0	92212	113158	0	50172	28019	76958	67264	59339	0	61674	80227	37212	35379	47276	30120	53589	83471	84578	65222	31422	98391	49627	27320	226740	251903	283385	23721	28023	18846	41369	23457	0	23933	56009	66869	46207	67216	36479	87158	77942	35820	64183	43095	44957	58824	91387	86624	77240	83586	124039	0	65116	60706	56189	60496	60916	35541	23678	51643	57882	41066	66719	0	36459	91092	Organosulfur	0.35	1.3	0.0
6	C17 H22 O8 N4	411.15103	411.15167	-0.15941493	411.15097	8499	10431	7381	10430	5971	2755	5585	10487	5300	4115	3481	8417	7572	2156	10486	11718	13434	7598	8148	5563	7055	12094	10273	15586	4359	0	4721	2931	6562	7033	8680	6952	12479	8644	5985	7776	11348	7763	13673	3656	6964	6787	0	0	0	7712	8435	0	11823	8699	9385	8985	5424	0	10131	4062	4680	9928	8401	8358	12271	5003	10937	5299	5510	7562	7337	16236	0	0	0	9584	9593	7305	7157	6714	0	7533	8253	5618	7217	4230	3524	1882	7097	3742	10608	8102	7951	19946	6177	11935	24157	4871	4479	0	10676	6888	3852	5448	4444	10559	7502	7985	0	12717	4401	0	7117	10795	Peptide	0.47058824	1.2941177	0.23529412
6	C24 H26 O4 S1	411.16245	411.1629	-0.36868238	411.1623	1240	0	0	1183	0	0	1067	0	0	0	0	960	0	1045	0	1612	0	1240	0	0	0	0	1138	0	1011	0	0	0	2296	0	1635	1276	0	0	1234	0	0	766	0	0	0	0	0	0	0	0	0	0	0	1197	1510	0	730	0	821	0	938	2113	0	0	0	0	947	0	0	1068	0	0	0	0	0	0	0	0	22688	1345	0	0	1327	0	0	0	849	0	0	0	1183	0	0	2399	0	0	1920	0	0	0	1210	1790	0	0	0	0	564	0	0	0	0	0	1194	1071	Organosulfur	0.16666667	1.0833334	0.0
10	C24 H26 O4 S1	411.16245	411.1629	-0.27944472	411.16235	3343	0	2604	0	0	1194	2269	2833	1770	0	0	3025	0	0	2940	0	0	0	1753	2205	0	0	2057	1531	2623	0	0	0	2584	1741	2442	2761	1589	2113	2164	1474	2105	0	2332	0	0	852	937	0	0	0	0	0	1838	0	0	0	0	0	1157	0	0	2156	0	0	0	0	0	0	1837	1240	0	2043	0	0	0	1358	2547	2952	25793	3668	0	1620	2133	0	1591	0	1939	3001	0	1712	2129	2663	0	2656	0	0	2258	0	0	0	0	2393	0	1630	1214	0	2311	0	0	2119	2299	0	0	1823	Organosulfur	0.16666667	1.0833334	0.0
10	C20 H26 O9	411.16495	411.16553	-0.16281252	411.1649	300738	150263	276428	260294	148906	61278	234246	398866	198888	404696	253110	115672	201508	51296	123843	373412	263126	199182	118939	454684	448984	327986	273318	389354	213804	313844	256140	201206	317432	325636	148983	332560	159614	236826	417444	350330	295764	216444	314206	314078	300004	135902	4924	988	1275	321616	316912	1025	329246	319444	150682	283762	72928	1473	135977	157884	113298	165569	336738	257320	211791	104023	206762	196790	111376	90488	152214	317728	154544	378768	392030	287618	142466	336116	244984	296718	1261	109711	332292	90518	293782	231952	131028	182980	99973	137216	263580	60886	155250	288846	189198	128232	364656	194868	273178	1932	281774	322708	81498	176740	170484	153202	218032	401402	117960	243536	148798	518	225898	214298	Phytochemical	0.45	1.3	0.0
8	C20 H26 O9	411.16495	411.16565	-0.18345773	411.1649	195980	114858	89434	112226	79728	39103	73587	132310	128097	108200	150488	78480	113484	30688	80596	130552	212953	112468	157834	134798	136780	103362	91697	133486	64654	79178	87288	111340	104838	110113	102308	111726	198816	84133	131778	110736	100094	82977	134140	89928	105596	51124	2752	1268	1818	210200	138610	980	113314	118693	105174	102440	86958	1680	91749	51892	46448	212700	103559	102032	151850	61342	128020	69234	38288	108888	92369	117028	92226	189096	267088	100590	93047	120749	172579	112714	1298	66904	225781	50508	187408	75504	90865	78506	65088	36748	99184	35546	57981	222600	63634	84334	217076	120252	194584	1976	100586	104144	111376	127392	63632	196224	156646	143730	77162	186935	58120	1146	75544	70074	Phytochemical	0.45	1.3	0.0
26	C20 H26 O9	411.16495	411.16544	-0.07988603	411.16492	16452	14326	13891	12475	11244	13161	5060	17638	12188	29646	11597	10399	31369	8938	16119	15001	7437	25335	21931	33647	30175	17059	16462	18996	11825	11473	5317	10928	18019	11378	15387	18124	17739	16787	31770	17790	24313	13366	8805	16280	8910	11226	0	0	0	12719	12267	0	16155	16931	18363	15492	13757	0	23416	16958	8069	22173	11686	6372	18943	11647	23911	16934	5958	17632	10319	7778	9801	29493	22172	18669	16790	16878	8580	14197	0	10882	14829	7413	16470	8913	9546	10332	12307	8915	19535	9834	12323	10462	18757	20032	20956	7106	13682	0	16102	17592	9273	12832	12612	17196	12114	17280	8149	13365	8532	0	10081	25842	Phytochemical	0.45	1.3	0.0
12	C20 H26 O9	411.16495	411.16547	-0.11671913	411.16492	846950	872160	870432	865602	390532	346662	706346	1009156	563534	1087536	741658	534762	457138	206006	671412	1020288	681568	547108	687458	1264290	559778	968748	749844	1058754	542210	776542	620640	322499	416070	837032	788758	431224	853120	676476	1246546	829856	382860	662306	774256	416322	904784	433844	7385	1867	1899	420993	823258	1685	934576	458393	869312	887826	404464	2048	387871	399136	346284	907170	441166	390846	558266	612470	675326	549112	268756	506574	422348	827926	456289	1117408	1098436	760882	398215	890786	720058	832378	1002	655044	764512	229398	749868	588798	682438	260852	264505	332620	704168	319654	431670	811450	602422	760814	839032	244273	331146	4296	887756	950624	484468	441096	427092	858786	538034	978054	324610	686910	454976	1443	614170	610964	Phytochemical	0.45	1.3	0.0
24	C20 H26 O9	411.16495	411.16537	-0.11872478	411.16492	45851	38728	44385	38701	37755	35481	18510	49879	41722	87352	26368	29334	67857	19977	45132	36140	18369	71953	55333	68379	59393	37186	45286	52144	33209	24388	17583	20811	37305	41403	39417	38403	51004	39398	77839	40865	57437	36930	23520	43171	22591	23330	2605	0	0	37283	36775	0	43107	39061	40647	37575	28364	0	59284	31534	23229	46298	34460	17543	44103	33091	57766	47775	17067	45668	25043	19640	36037	62253	44603	44615	41794	46927	28095	37075	0	38674	44194	12356	43919	27107	25972	28136	41871	27995	33674	21794	31687	22811	38075	34367	52230	22750	36102	1923	45389	39875	30031	32219	44312	37486	28814	41492	23709	36276	22462	0	33524	64875	Phytochemical	0.45	1.3	0.0
14	C20 H26 O9	411.16495	411.1655	-0.08724517	411.16492	1865514	1754440	1691698	1766592	996508	931656	1315110	2074150	1364706	2948492	1689174	1167404	1395108	584354	1569718	1832916	1224298	1500690	1557466	2949636	2903846	1954272	1647844	2002238	1403974	1850794	1025978	791224	1729108	1716346	1649822	972775	1938860	1505796	3323308	1770188	1796516	1420000	1378712	2028332	1573766	989090	16276	2704	1871	1712380	704020	2365	1809688	1807248	1646350	1558040	1026694	3819	1816098	996866	797824	1931434	1902970	643577	1084171	1352622	1555100	1407862	671212	1231954	1029690	1305630	840110	2828642	2323952	1769680	1657918	1940524	1273806	1676294	1411	1374192	1639510	516573	1621054	1178016	1407064	1300068	1151638	427892	1441138	895972	1056168	1569634	1368522	1517126	2066082	1034958	1341034	7419	1717170	1681236	982940	1027126	977822	1676438	1260970	2139818	639365	1555516	971550	2737	1330278	1394710	Phytochemical	0.45	1.3	0.0
18	C19 H26 O8 N2	411.17618	411.17664	-0.18886824	411.17612	282354	264150	280166	234284	179778	157294	168123	296589	152220	320067	213856	164123	217636	111458	232546	274465	202919	269056	284519	342999	319529	278291	239267	343813	215834	461371	172821	196500	256446	247512	247531	255871	318866	233249	338375	255546	291012	195464	227285	256806	244485	138474	5085	687	533	234869	189740	856	292076	216110	246932	247822	170187	1792	236745	147807	146021	301940	235181	155406	287771	189358	201719	159090	115096	212697	174120	236264	364898	442947	549645	248434	205263	227299	186448	269440	447	188146	254720	154574	219576	159272	204523	182200	163616	149541	243743	172999	197677	301447	289848	346613	441793	162320	205220	1229	276740	255132	147948	150019	155162	271348	174245	281201	117733	292245	129526	704	229517	250561	Lipid	0.42105263	1.3684211	0.10526316
16	C19 H26 O8 N2	411.17618	411.17664	-0.25064456	411.1761	84284	75150	65798	86431	35949	48163	63611	122117	41618	75099	31489	45267	56825	23277	97823	87314	40703	82223	83717	91690	58518	112602	73577	123364	97706	15981	51767	36850	108126	88492	107409	112269	123080	93678	104790	96558	139253	64033	47677	94297	35089	50560	1034	0	0	84645	40455	0	110325	79902	70215	73726	49913	405	63818	27805	35223	104832	111002	35896	94471	55196	49888	50145	25208	61078	64266	46018	15901	39712	17973	102390	85355	114329	50422	75895	0	72479	54555	40000	47529	43361	66498	41432	27617	38185	55244	45867	52572	71164	92743	129738	171242	41142	61311	593	77748	85872	25547	19969	22635	110067	55909	84682	43326	109244	32314	0	64655	70093	Lipid	0.42105263	1.3684211	0.10526316
4	C19 H26 O8 N2	411.17618	411.17688	-0.1584136	411.17612	24999	27802	24982	26825	14380	16593	14508	30379	18547	24595	14485	17801	29378	8771	24636	27432	24420	24998	25811	26834	30162	46509	24108	31031	16266	4794	15009	10170	24120	21741	23027	24083	31298	21230	39900	27778	28436	18874	34587	28995	29245	16466	0	0	0	32084	34502	0	26758	26987	26812	24540	17051	0	29762	14713	9624	23506	24903	21032	30241	21161	29172	22779	9756	21876	16977	25589	7807	10836	13195	22980	22915	24373	9372	19674	0	18252	20725	18544	16819	16644	18172	11503	16873	13672	19268	14710	16855	27671	30842	39857	50829	19809	30463	0	26609	30391	15163	18442	16605	30334	17730	37614	17892	24860	13837	0	14850	31842	Lipid	0.42105263	1.3684211	0.10526316
2	C19 H26 O8 N2	411.17618	411.1769	-0.15279143	411.17612	12856	14813	12650	11585	9987	0	10429	16839	12061	11405	7752	11376	15416	5473	12570	6976	15375	15587	16285	12123	19977	21952	13068	15747	8228	2028	3503	7481	16508	11839	16874	13852	23335	15086	17646	13924	16900	9794	17007	13220	15628	10010	0	0	0	11035	12564	0	15214	10889	15226	14660	10931	0	15435	6889	6500	17952	10141	11270	9037	7589	15894	14140	6099	15431	12421	20853	3312	6804	7476	16407	16063	13661	4795	13684	0	9982	14345	6676	13198	7383	8935	5518	10384	7845	12621	10835	10616	25251	12343	19746	25919	11854	5627	0	15040	14749	6403	9827	8728	12322	12194	14999	8370	16415	8117	0	10184	18847	Lipid	0.42105263	1.3684211	0.10526316
8	C19 H26 O8 N2	411.17618	411.17676	-0.19475326	411.17612	103152	113255	89353	105917	41802	42803	69607	125717	57612	119133	59950	68440	66456	21933	87263	113815	74820	66889	87172	135309	129707	183700	95084	139552	67976	18906	63509	51226	106928	97349	100305	119596	130148	91613	182134	101588	123855	80835	92366	137832	108114	49943	462	0	0	125697	109812	0	122910	103582	103689	102939	47137	0	78218	33662	37086	106509	113484	71144	118902	76066	67182	62382	39553	66193	56747	96014	29978	53057	54907	112749	102621	103263	67223	95541	0	69808	77281	59451	65270	67526	85009	59380	38227	35044	71703	52516	63373	113909	108265	167432	186978	79345	110530	0	110027	107377	39119	37648	38036	115257	69777	141072	60781	106147	32149	0	70703	81501	Lipid	0.42105263	1.3684211	0.10526316
6	C19 H26 O8 N2	411.17618	411.17682	-0.15066488	411.17612	73668	74879	64822	71721	32734	34191	49088	95387	48944	91267	40861	48695	63845	17625	61836	98615	67136	64886	71470	83261	86425	115008	53696	106247	43008	14204	47879	33477	70488	70490	78036	83027	102918	67280	114294	71975	98259	51066	78977	71783	75391	36745	0	0	0	73905	73919	0	96756	70532	80981	78151	41725	0	65053	28849	23597	89193	65754	55982	88923	49650	58231	43384	21947	53085	43856	85618	17304	36210	35336	71088	66525	72836	40087	61709	0	52839	53847	33022	45702	42921	44374	32783	33766	34796	59712	39613	44794	119495	75910	106947	134767	50877	77835	0	70951	74480	23087	30411	33694	89646	45827	100495	39887	83529	32116	0	47717	71314	Lipid	0.42105263	1.3684211	0.10526316
20	C19 H26 O8 N2	411.17618	411.17676	0.10851699	411.17624	12750	10338	17472	18780	10926	11780	7614	16056	11388	21694	5386	5966	17488	4720	18524	17980	11654	11260	17072	17208	12194	15074	15630	19588	17190	12518	10684	12722	27444	16492	15444	16671	25944	15304	13800	19628	26040	14866	14044	12176	14188	11662	0	0	0	11482	0	0	16136	18988	15690	14000	12250	0	19978	4188	5746	11588	15208	13840	21899	6110	10244	10846	0	10242	13808	5896	15164	14619	11016	20143	14324	14590	23212	19226	0	13958	13352	11392	13116	3128	9906	0	5882	5884	10548	7426	8178	10270	23162	23240	26742	11130	9394	0	17686	9950	7606	0	4100	23502	10948	19146	3486	29590	4044	0	17720	17894	Lipid	0.42105263	1.3684211	0.10526316
26	C24 H26 O6	411.1802	411.18066	-0.15975009	411.18015	46592	42159	39196	42580	50804	29640	13428	33623	44489	74404	81859	16281	63766	33724	21643	28719	19626	53558	55912	90911	95691	39436	26860	34407	23960	183175	14479	74025	27096	30603	28463	23796	34019	25004	88371	30149	32916	22813	26060	63689	83290	25707	0	0	0	46512	48352	0	29855	26798	47821	40972	38946	0	45569	48261	27226	30570	26934	19309	36742	48389	54556	37366	16151	52873	38876	27965	194690	157493	220176	28073	24365	20918	17392	26074	0	20369	45079	37157	37528	34659	21541	63170	57322	22639	38194	25975	28644	31309	26839	27560	50558	41973	45096	0	46220	47813	34359	63590	52120	35176	16333	36800	27509	25873	36869	0	27429	48202	Phytochemical	0.25	1.0833334	0.0
24	C24 H26 O6	411.1802	411.1806	-0.12577786	411.18018	148564	138214	131966	138338	136524	94126	45697	94827	120465	259693	280288	56871	169516	93596	76484	112839	64515	130580	162651	286740	326841	143627	92700	116300	78072	637888	49055	248723	91974	79450	82034	82972	103088	73916	311433	78352	111683	60533	66860	221030	232435	79712	6218	2285	0	157535	147897	0	91474	74588	133452	131309	108387	0	127829	117218	65220	96104	85249	64526	112019	157965	146723	100582	62106	163485	108234	77981	601774	574448	704032	87678	78624	64127	45048	79802	0	67510	123508	105972	95970	109243	76668	182841	152139	80661	111465	78523	92209	90759	106713	104884	140201	135543	157123	0	139881	144604	103494	122089	129754	106239	57271	124111	101286	96751	100866	2139	79460	145499	Phytochemical	0.25	1.0833334	0.0
28	C24 H26 O6	411.1802	411.18063	-0.19012189	411.18015	14070	13484	11830	11848	16795	5899	6020	7815	10272	19384	16856	4338	18639	8554	7120	10488	8122	12461	18033	21399	20525	14246	7152	11893	6264	43205	4652	15298	7546	8206	7523	6583	8775	6625	22375	8231	11209	5508	7555	15646	20821	8304	0	0	0	10862	12995	1258	8324	7675	10682	13283	10790	0	13033	12901	6185	9621	5556	6011	11574	10893	14982	9625	5509	18313	13694	8238	49911	43030	67668	6864	5995	6548	5336	7956	0	5097	12278	11013	12455	8039	6871	15166	16678	7189	9848	8214	7999	10804	10028	10110	11312	10230	11220	0	11257	12267	8703	19382	18032	9871	5144	11888	8850	10569	10527	0	6086	16124	Phytochemical	0.25	1.0833334	0.0
20	C24 H26 O6	411.1802	411.18063	-0.1303267	411.18018	224405	253189	220291	210845	194001	135707	126159	200028	190830	338612	294198	124323	199626	140614	143795	206380	155990	198092	245530	418929	432114	212055	167150	205767	144023	911572	114846	280159	165702	163671	145723	164700	186143	155888	370711	149683	199167	133597	158151	297714	350961	126546	6479	1470	592	201796	218087	1551	166221	162527	225526	229473	168269	1378	168020	161895	122668	192348	143120	145143	207045	194825	194322	159414	101095	177521	154042	168089	691690	820670	1098552	158942	149741	142188	146828	157940	513	120711	230219	173080	179112	128703	138495	274812	213882	126479	219423	142845	138796	214222	201806	188947	277791	162464	206581	2563	223443	224139	167464	186391	178721	189972	125147	201075	136017	172985	165780	1028	158163	212124	Phytochemical	0.25	1.0833334	0.0
22	C24 H26 O6	411.1802	411.18066	-0.100113094	411.18018	233209	240334	218410	241060	221640	154860	96527	178944	219007	403365	408485	108665	210923	180594	143563	185390	127405	222752	236836	511021	514114	233117	172015	228911	151060	1081802	103166	378169	159231	150837	157013	166511	199830	161180	445753	140159	179108	124680	142707	365876	385857	142395	8358	0	1155	236530	231630	0	157576	148014	243584	235591	186138	1174	199245	177156	134239	197749	145223	136146	201087	256931	223016	169729	112414	257273	184466	148695	903733	1061556	1294669	152274	129821	118542	98859	158999	1034	122811	217405	181126	175713	166263	131369	279106	234414	142998	218057	140734	151694	180965	198284	224762	248306	223537	281629	0	207677	232416	181877	203971	192650	192885	111319	196698	148476	193688	181744	0	144574	223745	Phytochemical	0.25	1.0833334	0.0
4	C18 H26 O7 N4	411.18744	411.1881	-0.16396548	411.18735	4424	6573	5986	5647	2465	3862	4063	6760	3642	2465	1962	2681	3849	1608	7147	7726	7975	5025	6384	3342	3366	8754	5317	7435	3705	341	4685	4177	5953	4836	5883	6677	12682	5140	4926	6467	8689	5459	11929	3407	2198	3916	0	0	0	4568	2798	0	7421	4016	4827	5971	3756	0	5674	1948	2672	7532	6108	2116	7236	2402	3580	3982	2194	5254	3956	8509	0	0	0	5211	4521	5294	2683	4473	0	5082	5766	32083	4439	2368	3227	1344	2220	3515	5139	3706	4373	11260	19806	15103	15533	4508	2576	0	5631	6139	3220	2480	2442	9273	3763	6078	0	6577	1588	0	4075	3859	Peptide	0.3888889	1.4444444	0.22222222
8	C18 H26 O7 N4	411.18744	411.188	-0.1906274	411.18735	6675	9656	5926	9014	2717	2892	5952	9473	3046	4143	3688	5725	1846	0	7836	11176	7733	4279	4716	5671	3472	12211	7785	11023	12438	0	7060	3092	9643	9118	7431	10308	11551	9151	7398	9225	12206	6723	6830	6752	3232	3203	0	0	0	5865	3758	0	13016	8524	6787	7916	4077	0	4274	1662	2793	12930	5723	3893	9167	4774	4353	1887	2178	4085	3504	9206	0	2415	0	8596	7387	5820	6389	7495	0	8268	8604	5006	5656	3202	5094	3045	2952	0	6896	3937	3986	16822	17183	17398	23153	3915	0	0	6839	9170	0	922	0	9854	4846	11173	0	9385	3109	0	8125	5172	Peptide	0.3888889	1.4444444	0.22222222
6	C18 H26 O7 N4	411.18744	411.18802	-0.19774388	411.18735	9174	11740	8535	9953	4894	4862	7822	13234	5723	4813	3389	5770	7183	2828	11435	13002	8151	8821	9250	6989	4815	14621	8511	18708	10915	0	5286	4235	14433	10979	13046	16592	20026	11046	9690	11029	16424	8084	11245	7208	4149	5814	0	0	0	8003	6308	0	13729	9936	9439	11822	5491	0	6842	1725	3436	12574	6449	5580	15783	3625	5993	4961	3424	7702	9048	15670	0	2173	0	12863	11774	8560	5817	9142	0	9136	7759	9298	5961	3677	5846	2368	3611	6176	11166	6360	7722	21634	20357	22674	29086	4265	6282	0	11811	10844	3710	2333	2932	16997	9050	8590	0	13987	3611	0	10058	7274	Peptide	0.3888889	1.4444444	0.22222222
22	C21 H30 O8	411.20135	411.20178	-0.13569969	411.2013	379235	365556	339018	361588	279227	324596	213776	456650	369775	693678	218787	194001	419345	204406	400796	292836	135160	547507	484107	676192	533232	404952	339906	440047	405717	213964	154366	228983	509688	385619	437411	433784	517776	376659	738361	437119	628885	301757	153086	386601	117383	222216	8451	0	1743	325421	136636	0	398920	323483	364528	359335	269506	2634	623902	276168	185104	383058	429763	96699	374429	246359	469288	389253	148693	350139	299262	148954	157657	594101	195722	396847	374658	461447	151061	375497	1164	345351	273599	127954	232550	149185	268578	181310	237086	220489	238995	179807	289709	154316	453178	577734	497602	173486	323708	2765	338021	363242	202020	231560	208127	457170	251202	435915	188416	365968	203844	0	212187	536904	Lipid	0.3809524	1.4285715	0.0
20	C21 H30 O8	411.20135	411.20175	-0.15493718	411.2013	689388	666315	663630	594907	478032	518192	445657	827531	637539	1143450	398176	359654	787097	331578	739587	603577	293862	820532	960990	1145301	943290	683243	589479	768696	625951	423264	378323	466322	936185	706333	686110	783392	946202	693271	1226429	763803	1002965	547194	303677	679556	261791	460069	14662	3533	1451	593842	263960	2848	785670	608429	618271	675844	466366	3733	1011356	512328	348155	734848	767603	205265	697900	400440	770864	697159	283901	608739	482914	325711	326974	939502	420879	716271	750285	833535	407161	673839	1152	593487	489056	270463	426838	272373	585473	383200	433553	395097	461731	357800	531537	312560	801946	869279	985206	299196	485791	5446	671639	687345	378922	403464	419843	856976	461263	832947	335040	647294	382177	2680	434048	865370	Lipid	0.3809524	1.4285715	0.0
26	C21 H30 O8	411.20135	411.20178	-0.18386808	411.20126	17548	19326	14951	19585	11738	15775	13475	25082	14973	35862	10641	11783	33554	12174	20015	18780	9659	30392	27106	32309	24375	15569	17402	24701	15672	12339	10981	10339	23920	19729	18714	17283	25858	19056	34474	21328	31596	13592	11326	19839	10011	8599	0	0	0	16019	6379	0	23630	17050	20256	19927	13800	0	29395	21040	11178	20344	15263	5491	19165	10685	29514	19138	8161	25087	10889	10866	9193	29240	19100	18924	22392	19379	11153	18764	0	14510	18530	8615	12105	8643	19674	10723	12984	9384	15099	12450	14331	9653	21963	18921	36874	5705	11711	0	18759	16748	9028	12586	16857	19694	11210	16321	9371	17742	6989	0	11888	28200	Lipid	0.3809524	1.4285715	0.0
8	C20 H30 O7 N2	411.2126	411.21313	-0.21632035	411.2125	23521	27705	20759	22011	8570	12036	12490	28924	9763	26527	8950	11367	14661	6334	18712	30586	13681	13478	24803	30176	23569	35739	19221	35904	22380	4045	13421	7290	28252	24951	23496	34027	32812	26813	36340	25033	30845	13632	17404	24018	13708	13335	0	0	0	20598	12296	0	33705	23666	21787	19777	11179	0	17397	4817	5937	30687	10173	7388	30863	11317	10735	11781	6516	15326	14273	17117	3727	12721	9306	25355	20126	23297	17617	23630	0	14786	13482	9310	12725	7820	11932	12159	6155	7495	17582	10258	13252	31393	38519	45845	48170	12421	20652	0	27319	20823	7285	7941	7857	31782	13560	33674	0	26284	7783	0	14939	14459	Lipid	0.35	1.5	0.1
10	C20 H30 O7 N2	411.2126	411.2131	-0.22806962	411.2125	18076	20335	20336	13046	8758	9353	12743	27902	9055	17406	6294	11041	10037	6163	18178	23077	15627	9929	17343	24898	20426	32808	18767	30506	22133	4126	14469	7305	25424	19781	24383	26010	34286	20226	25665	25458	30599	15438	20405	19963	10367	9347	0	0	0	17464	16806	0	28196	19430	18393	19695	10006	0	9974	3190	3822	33187	9584	7641	32884	13319	8992	10852	4366	10869	9726	22827	0	13073	7445	24924	18595	21191	14297	19816	0	14681	14419	8590	13984	11865	9925	8788	4360	5878	17975	9917	10546	29261	43920	47026	44222	11412	17406	0	20451	21487	4394	5985	5106	23975	11271	28065	0	26966	5532	0	15142	11172	Lipid	0.35	1.5	0.1
18	C20 H30 O7 N2	411.2126	411.213	-0.16598293	411.21252	17381	10088	12871	14142	7044	8981	10985	25756	7080	8322	3777	14608	10467	4230	15682	18673	12181	14711	16504	16068	8641	15762	11674	27337	18969	2786	12261	5628	21738	21685	23978	16834	26165	21051	6991	23390	30869	16544	13479	12900	5115	8901	0	0	0	17954	9837	0	26314	16614	15182	19690	9180	0	13625	2562	4541	24976	14471	8539	23623	3732	10648	5106	4477	9007	12017	13450	2905	6107	2897	17830	15185	18805	11438	15716	0	14270	25311	9901	11334	7619	13568	4647	7930	5762	21484	6657	14344	23420	29923	34301	42840	3716	6746	0	14981	12838	5634	3801	4078	25479	10426	21740	5499	24137	5204	0	28371	8363	Lipid	0.35	1.5	0.1
4	C20 H30 O7 N2	411.2126	411.21326	-0.17764431	411.2125	12509	10278	10636	9790	4269	6071	5956	15671	5701	8361	3242	4963	7918	2742	10532	12123	8780	8213	9288	12141	10144	16738	9157	13566	11606	1746	5411	3904	12933	9812	9746	11159	14058	10580	12594	10495	11750	7395	10796	8122	5677	4377	0	0	0	9189	6821	0	14672	9997	9171	7547	6062	0	9237	4494	2166	11703	5087	3797	11627	5218	5229	5642	2167	5805	5502	10426	2036	4030	3323	11301	8553	11123	5683	8853	0	8097	8911	6625	7107	4139	6859	5197	3511	4857	9125	3978	7343	12657	21490	21044	23849	7148	11644	0	10396	10854	3543	4973	4235	14083	6028	15399	4732	9318	3989	0	7318	8116	Lipid	0.35	1.5	0.1
16	C20 H30 O7 N2	411.2126	411.213	-0.25568596	411.21246	23740	42744	39484	34040	16056	18378	36274	61054	22806	19210	10530	29034	14790	13706	48808	63378	35052	21230	28600	44324	30958	53766	34366	69400	47496	7200	30294	11858	55842	50410	51278	53460	77910	44132	42958	54130	69934	31970	37200	41368	17998	21568	0	0	0	44760	26008	0	56644	50046	41082	34722	21960	0	17766	14246	15374	65824	44092	23826	58562	22712	19478	15066	8484	20914	24988	45316	6474	17864	14490	52276	46940	47956	34832	48346	0	41702	38962	23574	25760	22880	30212	19502	10324	15646	34048	28650	30220	61020	69997	80322	92594	21726	41276	0	35930	45934	8144	13154	9508	61834	33964	59472	20678	66512	12164	0	39956	18712	Lipid	0.35	1.5	0.1
12	C20 H30 O7 N2	411.2126	411.21307	-0.18508518	411.2125	13885	19196	15918	18934	7497	7704	17256	24878	6370	12061	5795	9492	8282	3086	20887	25146	21820	8855	11406	23762	15603	32184	14951	21518	21882	3471	10922	0	24799	19217	27843	25607	27025	19914	18832	24584	22823	17377	21925	21954	13747	8873	0	0	0	20221	11480	0	24447	22507	15607	16588	9494	0	10238	5314	5473	25050	18717	11048	0	12172	8965	6237	4630	10329	9235	29278	0	7057	6735	20585	20695	17720	17171	20182	0	15595	14878	0	15119	10511	13201	9251	4134	6325	21796	9865	11524	32709	31729	30538	43722	11142	10977	0	19654	20055	5258	3577	4971	22946	13906	21790	0	23164	6637	0	16739	8929	Lipid	0.35	1.5	0.1
20	C25 H30 O5	411.2166	411.217	-0.2047611	411.21652	189701	206695	174812	171626	174367	105277	151765	180805	136920	195659	187857	144944	122853	122446	158800	227532	261705	138122	193307	242887	254669	155323	144018	203544	139762	485063	163867	169259	168368	168800	140287	170214	196476	132070	204666	169029	188623	145769	253878	185147	248889	122449	4657	780	371	130477	165436	1111	177225	163832	188396	197951	148321	642	141839	140275	115356	197806	125456	179095	181304	114460	141974	130946	105616	154247	121160	283383	342315	386285	560381	124451	141424	159706	217704	170401	0	134027	240134	151883	181631	95551	151135	170662	190435	126411	249576	131766	137128	283919	188827	179485	233905	126093	155852	1114	186226	176177	142084	163766	177061	219532	132642	198133	97486	169102	163158	0	181301	144518	Phytochemical	0.2	1.2	0.0
22	C25 H30 O5	411.2166	411.21704	-0.1590319	411.21652	300504	321457	271119	283982	308460	199432	189700	290933	224123	349757	379423	195572	204406	205327	226975	330498	332263	241040	283962	459490	497143	260996	232712	309923	238381	985273	207327	365475	276389	272585	233516	282872	306198	240616	380074	276220	300009	208143	327970	342371	410355	192866	6113	0	542	218196	265319	0	260038	261599	310945	309174	239947	1836	241152	221155	171925	310086	192971	240431	297037	216008	237929	205483	138301	239916	220616	378258	800824	824775	1185616	207979	207908	236539	250439	268744	407	200062	333778	223060	263301	169893	205753	245522	285056	196439	350841	206283	229327	363324	284909	291587	348617	230211	283879	0	262291	301971	228087	278452	252184	360589	189274	301912	161348	274246	257634	0	251423	236797	Phytochemical	0.2	1.2	0.0
14	C25 H30 O5	411.2166	411.21707	-0.19396766	411.21652	7258	11692	10184	12886	3898	1928	10372	11000	5732	0	7768	14448	2185	3016	9755	9551	18438	2116	9283	7704	5820	5621	8470	11123	8747	8803	12990	0	6287	11129	9851	16030	9118	6842	4753	14004	5884	10127	19113	4839	8011	5075	0	0	0	6976	10167	376	11209	12620	6849	9850	4845	0	4310	5643	5696	12007	8221	12936	0	2513	4266	2720	3444	2899	5119	22046	0	5434	9445	4213	5357	15791	13439	12551	0	7815	19427	0	15758	9187	12558	4758	7805	4258	13410	3667	4194	30901	8216	8856	18959	3170	7431	0	7654	5514	4415	7263	8928	10377	8458	15050	0	8226	6674	0	13569	1827	Phytochemical	0.2	1.2	0.0
26	C25 H30 O5	411.2166	411.21704	-0.1458513	411.21655	132335	122397	125250	118778	144308	82300	55887	138554	109962	140742	207696	69000	127518	79501	96868	138964	101489	112919	156935	247068	234503	121641	90256	149750	110913	506881	52697	229330	122253	121828	102299	108903	128203	96292	204482	137699	136288	71150	97492	178464	197581	86776	0	0	0	122856	116078	0	113395	102477	119585	122806	109741	0	120533	116684	75135	120497	94217	74681	131196	132112	109523	90063	50459	137656	128690	99821	488177	372849	476757	103393	90420	119251	69868	101495	0	79128	157240	124942	92633	96102	83016	161745	129773	85686	143240	80209	84351	114064	101156	110824	159821	116356	118821	0	125332	149378	90628	142224	137128	156036	65399	134491	96330	101800	103337	0	97802	98763	Phytochemical	0.2	1.2	0.0
24	C25 H30 O5	411.2166	411.217	-0.12974209	411.21655	283049	304384	266726	281685	299581	173822	138866	257309	225060	376746	469254	161170	258519	164572	183402	314393	234823	243090	363345	520230	538950	255073	204496	289798	201151	1182132	139947	421661	242895	242364	205797	253843	293749	229481	453762	272599	312192	167263	253099	386353	463066	157858	9187	2136	0	246457	242558	0	270919	228166	271389	276685	242219	0	240556	209624	151759	281235	208786	179166	300327	260723	223824	192582	132030	271111	227329	260206	979413	882314	1170255	222838	220934	227355	192985	233803	0	182398	288980	237815	220435	179255	186598	327992	270979	172603	298299	192621	213014	286328	235766	220350	346011	231554	284926	0	291685	311703	190934	250751	254943	332821	155701	336734	170637	257445	211539	0	209529	231304	Phytochemical	0.2	1.2	0.0
2	C19 H30 O6 N4	411.22382	411.22455	-0.120999426	411.22375	1825	2168	1525	2631	908	0	1954	3495	934	544	0	1385	780	643	3038	1549	3265	1319	1361	838	878	1651	2555	4059	1834	0	0	1822	3780	1829	2391	2796	2729	1512	1216	2256	2990	1500	2851	626	565	0	0	0	0	689	315	0	2240	1659	2303	1607	1001	0	1757	489	312	4187	617	405	1013	430	1192	789	0	1828	1195	4416	0	0	0	2078	2364	1904	0	2202	0	1676	1990	11452	947	0	636	0	675	1149	2518	1868	1465	6979	20163	9231	6485	1794	0	0	2032	2010	0	324	302	1898	1083	1024	286	2456	588	0	1362	1085	Peptide	0.31578946	1.5789474	0.21052632
8	C19 H30 O6 N4	411.22382	411.2242	-0.19152819	411.22372	1799	1438	0	1629	880	1540	1075	0	1061	0	0	836	0	0	1304	1908	1703	921	0	0	0	1492	1063	2305	3059	0	0	3279	1789	1524	1896	2245	2479	1750	0	2715	3287	1601	2550	0	0	0	0	0	0	0	0	0	2261	1865	2236	1871	1433	0	1379	0	0	2661	0	0	0	0	0	0	0	1255	0	2375	0	0	0	1539	1992	1749	974	1174	0	1490	857	6266	789	731	577	2001	829	0	2004	1048	1012	3699	26746	11235	5132	0	1213	0	1016	3053	0	0	0	1414	1180	1567	0	2083	0	0	2104	822	Peptide	0.31578946	1.5789474	0.21052632
6	C19 H30 O6 N4	411.22382	411.22437	-0.13590275	411.22375	2290	1694	1615	1962	985	1144	2408	2537	985	0	0	1814	1166	0	2684	2267	2686	2433	1772	0	1249	2538	1928	13288	2615	0	0	0	1887	1852	2985	1717	3311	1800	0	2002	1885	2124	2233	1541	0	1230	0	0	0	3592	0	0	2725	2179	2203	2500	1030	0	597	441	328	4849	0	0	2683	0	777	0	482	1561	666	4280	0	0	0	1718	0	1269	1265	1117	0	1789	1912	4134	5038	469	714	0	0	0	2108	557	862	6449	21621	8874	8345	0	0	0	1432	1795	475	0	0	2078	1446	0	0	2281	634	0	2076	1426	Peptide	0.31578946	1.5789474	0.21052632
14	C19 H30 O6 N4	411.22382	411.22433	-0.43240118	411.22363	0	0	1483	0	0	0	0	0	0	0	0	0	0	0	0	0	2095	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1638	0	0	1581	0	779	457	0	0	1233	0	0	0	0	0	468	0	0	0	0	0	0	0	0	0	0	0	1745	0	0	0	0	0	1697	0	2138	2036	0	670	1729	0	0	0	0	0	0	0	0	0	0	0	0	12846	0	4122	0	0	831	0	0	0	0	1183	0	0	0	21466	1876	0	938	1307	0	Peptide	0.31578946	1.5789474	0.21052632
16	C22 H34 O7	411.23773	411.23816	-0.25019944	411.23764	17745	13563	17163	16943	10675	9662	29756	19987	12012	7582	5965	16263	11326	9280	16126	28386	33507	7998	11871	10659	4753	4304	12566	16962	18312	7396	27635	6302	20825	28335	20484	23622	28994	15854	5870	33188	24388	18603	40544	2299	5927	14397	561	0	0	8389	7293	0	23807	18546	21784	17953	11251	0	16646	14473	13113	28715	9493	8838	14205	1702	16516	8129	11303	12872	16177	33364	3584	7323	7270	15970	17393	26830	37603	23614	0	9272	20579	5616	11819	5527	28227	20242	13966	14213	35604	10134	12044	33268	11939	18564	0	3084	8437	0	21440	21561	9231	18892	22174	28997	10543	13493	0	17767	15654	0	19760	12043	Lipid	0.3181818	1.5454545	0.0
28	C22 H34 O7	411.23773	411.23813	-0.23224099	411.23764	3274	2894	5004	4969	2970	2804	25035	5572	2130	2335	3047	1792	5002	4437	3469	2851	5720	4459	4574	2989	4159	2555	3198	3190	3710	5743	22186	4560	7635	4970	3994	4814	9443	5877	4097	6555	5897	2612	5210	2751	1830	3078	0	0	0	2212	0	0	5790	3287	5176	4397	2141	0	3867	3439	2236	5377	2814	2540	5963	2250	3322	2745	6865	7637	5507	5377	3289	3715	3835	3487	6072	5213	0	5216	0	2780	2433	3568	1402	2991	10664	9715	3525	2871	4904	2117	3611	3594	8936	7832	4011	1690	0	0	3810	4970	2105	2899	4766	5851	4231	5396	4709	3812	1947	0	3324	3616	Lipid	0.3181818	1.5454545	0.0
22	C22 H34 O7	411.23773	411.23813	-0.20661247	411.23764	158339	147906	162973	154628	135207	203457	322689	163702	140504	150762	80889	93593	156795	121892	155158	151583	125342	200621	217289	171884	150596	127865	120139	140313	169257	104319	246008	112988	220684	175192	155103	199928	233997	171100	171880	197188	256571	121744	128279	96908	64718	112995	38768	32235	43255	103816	76573	25815	188507	134920	161616	151501	130473	39422	239792	145271	100016	178443	130982	76244	175937	75902	188128	160158	106144	181521	160761	125735	59472	119204	77391	142311	146641	175880	115497	160852	43277	121390	113177	83967	94379	84390	278392	224473	140046	133766	128672	116929	149749	92485	210363	209454	176780	80607	109716	26214	139643	172269	97098	133018	132576	259571	108691	172950	108554	143637	113636	28566	102994	164559	Lipid	0.3181818	1.5454545	0.0
26	C22 H34 O7	411.23773	411.2382	-0.14214638	411.23767	29567	32367	38295	31580	22822	24383	42009	38216	28859	35124	19227	25964	44423	23368	34219	64557	82475	42920	54970	44494	36013	32862	17728	25748	32794	11502	34646	32443	50678	44278	36022	37310	54221	37190	51543	43405	59516	25987	81909	29999	11822	23572	0	0	0	15745	7986	0	48572	28665	36813	35942	25471	0	43847	29905	17348	36458	41348	10010	41293	22900	36294	25989	14544	42161	40371	74007	5724	33766	14840	29789	35804	42629	32462	35502	0	25481	20292	16628	13078	19890	38274	22652	27631	14576	25836	17640	24649	10817	64146	70019	44157	15629	26555	0	37931	36165	13293	20478	19713	45412	30522	37928	52599	25184	17175	0	23620	36214	Lipid	0.3181818	1.5454545	0.0
18	C26 H34 O4	411.253	411.25342	-0.18256824	411.2529	8399	8763	7653	7493	5633	1944	12648	10055	7916	2696	3401	7986	1778	4304	6354	16891	27945	1998	5902	3850	3591	5143	7633	6120	9236	5489	16489	4913	6017	9710	8743	15025	8869	7392	3960	8335	6581	11768	34643	4178	5243	5210	0	0	0	1713	2992	0	8819	11936	8768	7239	5128	0	4593	8273	7710	10154	4472	10411	5791	874	2348	5157	6259	2573	7326	40410	5355	3021	10751	3961	7608	6364	15992	8322	0	6211	15915	6629	8067	3881	8166	1672	18148	6430	19937	1622	3413	26035	4321	4377	12040	3005	2392	0	10021	4919	6839	13464	18381	16443	5418	10552	2715	4809	6968	0	10862	2953	Phytochemical	0.15384616	1.3076923	0.0
20	C26 H34 O4	411.253	411.2534	-0.24377884	411.2529	42444	44232	40665	33765	36142	20420	54617	58128	30876	17868	21717	36878	15372	21399	38466	57750	103042	19800	38948	23114	23244	30393	27759	37566	33159	45429	45580	25183	40657	50516	37872	42584	49976	28354	23799	40755	49736	37638	104344	21371	40222	21032	1018	2814	0	24950	29045	3456	43846	46898	36607	36291	37233	0	32074	31637	32947	58029	22975	41945	41652	10416	23510	26666	23900	15600	23373	94828	33361	29231	53419	19385	26239	46632	108698	41239	1065	31488	64196	30536	36976	16251	39517	23681	56380	31593	69671	30842	31293	97430	74118	66234	56605	20621	23238	1059	37216	48295	36894	54087	56639	64849	38307	37280	17412	44171	38718	4503	54440	26047	Phytochemical	0.15384616	1.3076923	0.0
26	C26 H34 O4	411.253	411.25342	-0.15974732	411.25293	152804	151525	154375	135647	183717	86132	112849	176846	139570	133187	229126	96542	127061	114951	119640	193525	198592	124366	221672	211233	174348	130433	105535	148167	140698	555008	125935	234826	179234	198667	148945	181280	200548	119447	165251	221064	197946	117880	206952	157648	175846	131891	0	0	0	104314	109945	0	157687	163189	156252	149844	148309	0	157259	163917	107047	222315	107647	102165	174073	111150	113497	118687	77285	126207	145302	235829	407802	275389	375155	116301	128796	183546	143236	166849	0	105736	157065	183221	113925	106675	125539	158384	204950	144675	200325	113092	124170	156022	118268	138887	168784	153788	141742	0	157543	179515	123909	214924	230037	269019	98799	186906	112573	143989	181295	0	128679	108460	Phytochemical	0.15384616	1.3076923	0.0
16	C19 H38 O9	411.25885	411.25922	-0.16368899	411.2588	6141	7442	5191	7798	0	0	0	4469	0	8594	1738	0	0	1378	0	8495	0	0	0	5746	0	0	0	3468	0	0	1224	0	1815	1289	10220	56990	2012	3701	1951	3528	4387	0	0	9525	0	0	2582	1148	386	6319	10233	652	23315	4099	5856	8228	0	1062	0	0	0	6928	6320	0	0	1416	0	26302	1132	0	1373	0	0	27449	1661	4390	12083	1418	0	12503	650	0	0	0	0	0	0	0	0	0	0	1367	1100	0	19963	0	0	0	2826	899	8010	4603	0	0	0	0	2231	418889	16753	0	0	720	0	0	Lipid	0.47368422	2.0	0.0
6	C20 H34 O5 N4	411.2602	411.26056	-0.21703336	411.2601	0	1533	0	1133	0	1916	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	798	0	0	0	3889	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1074	921	0	0	0	0	0	786	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	516	21627	0	0	0	0	0	0	0	0	0	1182	71029	22803	1273	3892	0	0	771	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.7	0.2
8	C20 H34 O5 N4	411.2602	411.26044	-0.3989715	411.26004	0	1368	1800	0	0	960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7657	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2079	1418	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39082	0	0	0	0	0	0	0	0	0	0	167196	39491	0	3215	0	0	1916	1888	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.7	0.2
4	C20 H34 O5 N4	411.2602	411.26074	-0.36510032	411.26004	0	0	0	0	0	721	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	244	307	34535	0	0	0	0	0	0	0	0	0	0	9701	3042	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.7	0.2
28	C23 H38 O6	411.2741	411.2745	-0.20166303	411.27402	47011	42806	43632	46175	5020	3183	64685	64765	5835	9417	20772	51409	3032	6035	6786	82967	48771	3231	20097	71823	34119	1957	2486	5742	8260	3331	93044	21847	280699	229478	136384	172628	194904	155108	28245	171270	102692	6385	55916	13679	42245	36446	0	0	0	21243	68324	0	339029	59247	44358	43647	7365	0	8886	3735	12451	102302	45794	109322	58946	11053	3114	19446	33189	9968	30744	73168	0	4530	2576	64930	110969	51739	270976	150829	0	28327	3063	7224	2000	25685	49779	11813	4900	2719	5788	7861	80084	3499	17745	19502	5553	2174	0	1680	39972	45790	2791	3754	4495	213649	47729	382618	49330	15569	3000	0	4937	4024	Lipid	0.26086956	1.6521739	0.0
22	C23 H38 O6	411.2741	411.27448	-0.22434707	411.27402	15021	12492	6898	11488	8792	4767	101596	8307	4729	2108	3448	4252	6067	13595	5818	13504	14673	0	11030	2886	2304	4274	1628	3923	7413	14789	79793	10409	13808	8760	6856	14348	12265	8894	2157	17966	12837	6909	16429	0	0	6323	0	0	0	0	3211	0	13184	6526	10121	9709	6724	0	0	4860	6069	9930	2033	5990	10071	0	10763	2861	19973	9716	15651	17346	0	0	5426	5013	9603	11644	15566	9186	0	4639	7460	11676	2133	3353	77952	67979	5390	9652	10272	4446	7524	9137	19696	14871	7758	2092	1818	0	9262	10941	3169	6712	12818	14523	3435	7573	4414	4086	6211	0	6953	3039	Lipid	0.26086956	1.6521739	0.0
24	C23 H38 O6	411.2741	411.27448	-0.2534595	411.27402	34788	36290	35862	33356	16770	13786	282375	31362	7807	8912	18703	17545	17176	47381	19381	66997	58357	18438	25052	15343	8624	12520	14058	60035	21063	23906	228489	32379	51049	38198	35439	56751	41130	35379	12284	50364	47999	14181	68195	9862	15050	13381	4114	0	0	11923	11052	0	78965	22248	37176	36059	21293	0	15386	13040	20672	54540	18607	19628	65739	10237	27817	10910	38757	46185	44984	54941	3758	9418	11194	19853	32369	32755	42979	50485	0	16860	10506	30353	10041	20241	98248	84665	16690	14754	27417	14347	26836	21351	67244	47867	14810	7501	14349	0	33697	36809	11653	18696	21190	52193	16123	42166	28928	35661	14248	0	18063	12059	Lipid	0.26086956	1.6521739	0.0
20	C23 H38 O6	411.2741	411.27432	-0.21655935	411.27402	0	2402	2521	3070	3103	0	19387	4062	0	0	0	0	0	0	0	2959	5353	0	0	1969	0	0	0	0	0	0	18855	2766	4693	2720	1446	5283	2107	2989	0	4600	3255	1977	4293	0	0	1525	0	0	0	0	0	0	7990	1834	2795	2525	0	0	0	0	2035	2932	0	1350	1630	0	1600	0	3663	1906	2681	7241	0	0	0	0	5063	5063	2282	3234	0	1352	0	0	0	0	27564	18298	3838	3189	2237	0	2777	4225	5464	2157	0	0	0	0	0	1459	0	1896	4335	5811	0	1659	0	0	1947	0	2429	0	Lipid	0.26086956	1.6521739	0.0
22	C27 H38 O3	411.28937	411.28976	-0.23441471	411.28928	15012	12421	9725	12902	6113	4341	28331	14475	5514	0	6009	16136	2651	11561	13859	32610	91223	2717	10898	0	0	2619	12522	7144	18254	1922	33294	4619	27682	31668	16955	20022	16152	11651	2435	33499	13712	20828	97794	0	3300	11096	0	0	0	1977	3361	0	21299	24529	16968	15122	9484	0	8122	13688	15278	23730	3034	12107	17647	1574	2145	4504	13145	2493	12486	107025	2709	0	2940	6386	11412	28119	56437	27207	0	11151	26193	10007	14071	3939	4079	2403	15356	17682	59165	9343	9323	88255	8720	5380	10321	2339	0	0	10592	9880	12443	14244	13771	20283	15016	7701	1820	14117	15210	0	21511	1525	Lipid	0.11111111	1.4074074	0.0
20	C27 H38 O3	411.28937	411.28973	-0.12264456	411.2893	0	1944	2542	0	0	0	4456	2767	0	0	0	2560	0	0	2684	3940	27050	0	0	0	0	0	1495	0	2366	0	6624	0	2994	3375	2118	2537	3562	1353	0	4380	1693	2515	21219	0	0	1432	0	0	0	0	0	0	2260	3589	1756	1717	0	0	2743	0	3144	2464	0	1159	0	0	0	0	1494	0	2429	29943	0	0	0	0	2820	2889	9321	6174	0	1137	6330	0	2787	0	0	0	0	2057	9358	0	1839	24537	0	0	3499	0	0	0	2856	2746	1418	1545	4627	2133	1979	0	0	2787	0	0	5691	0	Lipid	0.11111111	1.4074074	0.0
28	C24 H42 O5	411.3105	411.31088	-0.2162426	411.31042	3136	3413	3480	3631	2643	3285	86410	4469	2155	1012	12044	2364	1765	15798	2662	2591	4778	2806	0	3132	2707	2369	3510	3497	3119	9160	58803	26153	4281	4308	2190	3473	2168	2579	2750	4251	1961	3862	5747	2645	3755	4308	3074	2343	5902	4067	4229	2676	3342	3768	4970	3655	3553	5718	3236	2816	4355	3464	8444	5959	6786	4551	3782	2375	13464	2732	6649	3877	7725	2262	2367	3160	2354	4789	3137	3915	3520	2599	2788	13515	2248	5337	9652	8422	3866	4726	3754	2903	2701	2537	26270	14866	2475	4061	2567	2492	3636	6330	3852	1514	6334	3023	4901	6250	13320	2686	1967	2543	3549	3634	Lipid	0.20833333	1.75	0.0
24	C24 H42 O5	411.3105	411.31076	-0.18054704	411.31042	2781	2212	4412	1595	0	0	99872	0	0	0	1889	950	0	23123	0	0	2894	0	0	0	0	0	0	0	0	8923	93782	11324	0	1493	1422	2149	0	1162	0	2727	1234	0	3623	1688	1972	2240	0	0	0	0	1755	0	1312	0	4234	3469	0	0	0	0	1645	1253	0	2671	3590	0	7243	0	14061	1330	2093	2837	0	1709	2179	0	1306	4230	1588	0	0	0	1138	6788	0	2036	19815	28536	0	0	1866	0	2471	6491	10821	7350	0	1089	0	0	2360	4208	3503	0	0	0	0	1804	0	0	0	0	1490	2730	Lipid	0.20833333	1.75	0.0
26	C24 H42 O5	411.3105	411.31076	-0.274352	411.3104	11418	10637	16114	9663	3923	2245	357380	0	0	3592	26310	3666	0	96429	0	0	8377	0	0	0	0	0	0	0	0	36121	332119	42593	5262	0	0	0	2722	2675	2246	0	2668	6103	13724	3655	16032	7648	0	0	0	0	0	0	0	0	13308	12641	4010	0	0	8762	8189	5405	8781	18697	24176	7262	26227	0	69230	7039	16690	10027	13483	5844	7669	0	3538	0	0	2440	0	0	4530	27167	0	18935	47100	50936	0	0	7838	2983	3639	8300	37866	17434	5900	11096	0	0	15980	13635	11408	0	0	0	3588	18938	17694	2990	0	0	4962	8758	Lipid	0.20833333	1.75	0.0
24	C28 H42 O2	411.32574	411.32605	-0.2298376	411.32565	1215	2383	0	1717	0	0	7207	3554	0	0	0	4678	0	0	2835	5468	23780	0	0	0	0	0	0	0	2819	0	6413	0	6721	14598	4902	5831	1971	0	0	12268	0	5046	28646	0	0	1730	0	0	0	0	0	0	2700	12784	2264	1370	0	0	0	0	2278	4700	0	0	3832	0	0	0	1141	0	1167	28150	0	0	0	847	1530	18342	22624	13340	0	3429	3520	0	2497	0	0	0	0	0	10749	0	1118	20599	0	0	0	0	0	0	2325	2186	1507	0	0	4346	3826	0	0	1473	2005	0	2527	0	Lipid	0.071428575	1.5	0.0
28	C28 H42 O2	411.32574	411.32602	-0.2354182	411.32565	3188	3569	2847	2314	1575	2185	8994	8556	1451	0	1450	3922	0	1925	3877	3857	17848	0	0	0	0	0	0	0	6241	0	9693	1504	8386	19098	7516	9989	2855	2543	0	18438	1889	7629	14573	0	0	2708	0	0	0	0	0	0	5278	11429	3534	3271	2055	0	1787	2229	2243	5985	0	0	3480	0	0	0	2770	0	3452	21212	0	0	0	1336	2950	20570	10440	11749	0	3171	7068	1933	3415	1186	934	0	3210	2811	31415	1272	1637	15623	2880	1165	0	986	0	0	3569	3084	2691	9484	7359	5576	4458	0	0	3418	4805	0	7813	0	Lipid	0.071428575	1.5	0.0
26	C28 H42 O2	411.32574	411.32602	-0.27366194	411.32565	2710	3446	4075	4378	0	3299	12010	10690	0	0	0	9257	0	2201	7059	12980	38646	0	0	0	0	0	0	0	10864	0	16055	1885	11299	31396	9139	12115	5312	2351	0	21232	3796	14691	29363	0	0	0	0	0	0	0	0	0	9246	19815	5626	4542	0	0	0	0	4802	4185	0	0	5919	0	0	0	4706	0	4180	41407	0	0	0	0	5304	37526	26795	22058	0	6947	11977	0	5348	0	0	0	0	0	35702	0	0	35199	2651	1619	0	0	0	0	3885	6378	4268	4205	4454	10516	7386	0	0	4644	4143	0	9172	0	Lipid	0.071428575	1.5	0.0
26	C25 H46 O4	411.3469	411.34662	-0.23405822	411.3468	0	0	0	0	0	0	21545	0	0	0	2733	0	0	4248	0	0	0	0	0	0	0	0	0	0	0	0	17239	3417	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7124	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1864	0	0	2966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.16	1.84	0.0
16	C20 H13 O9 N1	412.0663	412.06686	-0.024971308	412.06628	2927	2427	4456	3948	3966	2970	0	0	10333	12212	5801	0	8686	1694	0	2374	1861	4473	3988	4206	7450	14227	2953	1605	0	3713	1203	0	0	0	0	0	2097	0	13687	0	2011	976	0	5534	11741	1588	322	0	0	4180	5133	0	0	0	3971	5219	4520	0	4483	4429	2233	0	0	1446	0	4340	8898	5093	2091	6020	3318	1329	3876	6168	13975	0	0	0	0	0	0	0	4399	8232	2399	4606	1182	4754	5402	2043	4322	2418	0	0	0	3681	0	16035	23795	0	3684	2350	3684	7236	5393	2983	0	0	0	0	3549	0	1161	6749	Phytochemical	0.45	0.65	0.05
18	C20 H13 O9 N1	412.0663	412.06686	-0.066249765	412.06628	5343	4441	3016	7730	6878	2948	0	2209	8499	18167	9464	0	9059	2342	2028	2148	2556	10629	10023	4958	8331	18438	2462	2803	0	4974	2223	1631	0	1285	0	0	3521	0	7494	0	0	2027	0	5993	14450	2843	288	0	0	4629	12559	0	0	1828	4381	3861	4721	0	7288	7682	3912	0	2329	1549	0	8981	14746	4485	2162	5708	3037	2367	9679	6845	12572	0	0	0	0	0	0	0	5498	9865	3231	7549	0	4573	8266	3550	4507	4475	2805	6216	0	2935	3299	19538	26017	0	6107	3630	2854	9819	8882	1519	0	0	4932	3196	4570	0	2332	9553	Phytochemical	0.45	0.65	0.05
22	C20 H13 O9 N1	412.0663	412.0668	-0.07190602	412.06628	4705	3084	3918	5042	3001	2451	1502	0	4336	11023	2022	1655	7029	0	0	4208	1601	7558	3705	3143	6751	14829	2834	2038	1959	0	1318	0	0	0	0	0	0	0	3981	0	2090	2306	2644	3646	14700	2528	0	0	0	4051	11332	0	0	1837	2964	6713	5932	0	6479	4460	2420	1694	0	3138	3150	4135	9160	5737	2650	5602	4411	2368	2900	0	4330	1541	0	0	0	0	0	1423	5589	12038	4535	7205	2336	2941	8492	4150	7317	3530	4334	6939	3255	0	4105	25648	23803	0	3360	4157	4321	5273	6232	4496	1077	1585	4807	3050	6054	0	2879	9126	Phytochemical	0.45	0.65	0.05
14	C17 H17 O9 N1 S1	412.06967	412.0702	-0.08178896	412.06964	4429	5872	5776	4429	4491	2654	0	0	3711	15590	7192	0	6058	2067	1427	2409	0	7170	8204	5928	10557	16616	0	3686	1177	5220	0	0	1484	0	1619	0	2093	2620	19509	0	2906	0	3524	10905	21134	1429	0	0	0	4826	4962	0	0	0	4623	3973	4323	0	4356	3657	1603	1867	0	5648	0	12366	8422	6430	845	5406	2769	0	0	3127	6048	1703	1367	0	0	1509	0	0	1415	0	1381	2838	1685	5510	6214	0	2283	1530	1306	0	3715	7971	5485	26204	23172	0	5414	4219	3748	2630	3216	0	1327	7300	0	2174	4216	0	1670	8458	Organosulfur	0.5294118	1.0	0.05882353
16	C17 H17 O9 N1 S1	412.06967	412.07025	0.12507612	412.06973	4498	2545	3665	5187	5709	4297	1436	0	3945	12883	10176	0	9308	1908	1386	1898	1503	16466	5303	8156	7285	23001	1521	3443	3083	1363	1118	2996	1961	0	0	0	3165	0	26656	0	4061	1179	1305	16648	16426	2182	0	0	0	5541	7528	0	1735	0	3806	3399	4373	0	6015	4205	1648	1945	2387	2381	0	10456	9370	4498	1342	5114	0	1706	4894	5753	10028	2530	0	0	2094	0	0	0	0	17966	1500	3554	1606	6216	5385	2604	2282	2368	1649	0	8974	12799	0	24752	28167	0	4892	4759	2081	3307	4033	2845	1795	2231	3893	0	3666	0	1921	9851	Organosulfur	0.5294118	1.0	0.05882353
18	C17 H17 O9 N1 S1	412.06967	412.07022	-0.085890554	412.06964	2443	3978	3484	2397	2927	2971	0	0	2894	17738	5868	0	6748	1799	3097	0	1578	6389	0	4339	4568	21390	1147	1889	0	3412	0	2446	0	0	0	0	2659	0	10372	0	0	0	0	9617	6611	0	0	0	0	3523	4387	0	0	0	4143	3604	3421	0	5763	2980	928	1526	3558	2471	0	6767	5190	0	1965	3079	2963	2159	2087	3989	4118	1341	0	0	0	0	0	0	1590	12948	0	2625	2029	4885	4342	1916	0	0	1392	0	4954	8975	0	14688	23089	0	4995	3252	2662	3669	3005	0	0	1965	3990	1510	3237	0	0	6567	Organosulfur	0.5294118	1.0	0.05882353
14	C17 H17 O11 N1	412.08743	412.088	-0.026495058	412.08743	27153	36287	30445	33792	48485	30524	5758	9011	67333	34217	35120	19776	126326	22114	16857	8848	22417	76593	68301	34844	64432	79904	32398	14168	2234	0	9104	0	9389	11097	7095	6770	21164	9096	50806	6620	17040	19745	16454	24491	69139	36259	0	0	0	22401	56292	522	7895	10597	29082	31437	40774	229	89945	69797	26552	9804	10055	25489	0	34691	118955	88607	28796	69380	29027	16773	17280	5621	16103	12660	8742	5077	14253	6342	230	16458	22363	74744	19462	22865	5295	5063	66515	23299	20299	31788	36042	21292	2971	13139	21652	91316	51273	0	34596	34203	44896	67640	71967	28001	17939	14793	38258	20935	50150	0	5907	110146	Phytochemical	0.64705884	1.0	0.05882353
8	C17 H17 O11 N1	412.08743	412.0881	-0.026659563	412.08743	13931	13665	8133	13138	17015	6238	2136	4507	27264	8748	15740	7484	35354	4937	3451	4452	8090	20596	24667	9486	29935	22338	8511	7067	1164	0	2040	0	2722	3696	4288	5512	10673	2799	17044	3320	8258	6160	6855	9044	24132	12067	0	0	0	4390	24522	0	5166	5400	11257	12264	13377	0	32362	27970	9537	3660	3514	8548	8688	11691	59701	35357	11619	25763	10262	12657	5442	0	4286	5042	3652	2212	3742	3648	0	3882	6564	10963	4649	5334	1754	1814	25273	9265	5022	14090	11521	10656	0	6896	10130	25190	13598	0	11092	11478	22728	29770	26151	6913	6069	8315	0	8021	20243	0	2817	48185	Phytochemical	0.64705884	1.0	0.05882353
6	C17 H17 O11 N1	412.08743	412.08817	0.039444108	412.08746	5184	7588	5396	6782	12818	2290	1056	3258	19784	6634	5062	4214	24876	1850	2248	3144	4176	16130	13762	5564	11758	14548	5250	3350	0	0	1414	0	2492	0	1630	2994	3910	1646	11514	1458	4430	0	0	0	13518	5876	0	0	0	5086	6070	0	0	2896	6490	6054	7700	0	22356	20120	5672	2424	1498	3660	2816	3762	45144	24272	3672	19046	6580	0	0	0	0	3720	2360	2060	0	2436	0	2336	2088	0	2730	3058	1300	0	17212	5212	2992	9546	5954	6808	0	0	3786	11440	8512	0	7190	4600	9526	22810	21054	5502	2534	3210	0	4866	13776	0	1358	36136	Phytochemical	0.64705884	1.0	0.05882353
20	C17 H17 O11 N1	412.08743	412.08798	0.019680925	412.08743	8486	10573	5498	3872	13758	9458	2051	0	13211	5195	6549	3742	38560	6824	5476	2409	2932	18519	13183	3755	9648	13967	6399	2120	2170	2653	1615	1841	1916	0	2943	1450	3424	1844	6730	0	2359	3163	0	6919	7455	5743	652	0	459	6730	20329	772	1507	1250	4706	9916	12186	302	22774	19469	9182	2460	1613	4771	2839	8833	24406	21813	5368	18226	7261	1278	4424	0	0	2059	0	1271	3541	1606	362	3139	9729	12191	4781	4503	1941	0	23659	7444	5551	3082	6229	3666	2964	4771	2135	19791	12080	0	6892	7790	11152	15484	14323	4648	2416	2789	10752	3605	13062	0	0	24784	Phytochemical	0.64705884	1.0	0.05882353
10	C17 H17 O11 N1	412.08743	412.088	-0.048745845	412.0874	24743	22145	20656	22811	30916	16311	5156	10357	47533	27256	28197	17074	70481	13743	11948	13086	18394	46133	44492	23048	50692	56051	16706	12875	1775	0	3096	6827	5292	5717	7667	8317	16443	7439	34258	6522	13744	9556	9981	23712	50944	19705	740	0	0	17364	44126	0	6184	11575	24282	25928	20831	0	56802	50301	16563	8013	9635	20136	10269	26189	86041	62206	19813	46424	20419	19014	10250	3488	9887	10065	6613	4790	11163	6336	0	10471	15169	21221	13859	16674	3741	3823	48433	14984	13645	24706	20501	18975	4996	6962	20565	57589	39694	0	21638	25170	34086	45535	41826	17363	12901	12691	20169	12451	31813	0	3409	71302	Phytochemical	0.64705884	1.0	0.05882353
12	C17 H17 O11 N1	412.08743	412.088	-0.02138008	412.08743	28947	28132	27080	30394	52077	23916	8505	11493	64177	35955	46441	24913	88414	15098	18484	13797	24333	65523	72706	31519	71507	79535	30001	12207	3951	0	6265	0	7474	6922	11037	8209	24769	9402	63668	7544	20950	12972	19293	25876	85458	31272	684	0	0	26380	58633	0	9553	11015	28024	29137	33302	0	78639	61324	26572	13928	15750	26964	0	40719	130427	70893	21992	63390	31914	22782	0	7319	19056	12128	8443	8054	16645	9188	0	16429	24102	45796	16063	21730	4059	6311	67773	22335	16250	24218	30879	30932	3413	15073	26893	90187	47558	0	34688	43092	57730	57975	56188	30367	18836	12537	43352	22421	48472	0	4725	98215	Phytochemical	0.64705884	1.0	0.05882353
16	C17 H17 O11 N1	412.08743	412.08795	-0.054289065	412.0874	22395	26289	21560	24773	43982	28473	2672	6481	47669	21758	21315	14546	96916	19457	15607	13382	16298	57752	51843	20056	48010	52798	25913	12863	3707	0	6672	5476	5360	7287	4407	4776	15489	4199	29774	6719	14603	10649	6903	21836	33017	25994	2011	0	0	18476	39576	809	6287	5718	20010	19939	31670	230	55411	68344	22448	5654	8195	11044	6296	23474	96941	57170	19700	54318	27547	13708	12284	4537	13771	5099	6506	5320	10837	3431	382	12219	20136	50767	14500	17484	1855	4893	60854	22503	18104	23764	25122	0	6941	10372	0	64250	44726	430	19409	27567	32548	42689	60207	10578	9261	6909	26727	15590	45724	469	6529	100976	Phytochemical	0.64705884	1.0	0.05882353
18	C17 H17 O11 N1	412.08743	412.08792	-0.060644552	412.0874	10641	18154	16577	8869	23153	18767	3007	5658	28833	12438	14332	8719	66561	12517	9621	0	6827	42571	37229	8384	15821	24911	16287	7046	0	1574	1204	1971	0	3920	2066	3591	6706	5090	10233	2971	10244	6789	4766	8210	18333	12143	1197	0	340	14782	37185	689	2388	5024	11123	10078	21478	0	43112	38854	13685	4666	4606	5486	4731	20487	52909	38287	11431	32211	17869	4240	6295	2776	5680	3780	4185	0	9189	0	306	7034	9916	24583	7385	12179	2587	2297	39866	14901	10486	10690	15573	5234	6815	4246	11118	31003	26877	429	11117	16309	23378	34201	30382	8303	5897	7446	18345	5694	24548	0	3155	49068	Phytochemical	0.64705884	1.0	0.05882353
10	C21 H17 O8 N1	412.1027	412.10333	0.001961674	412.1027	4219	5090	4772	3369	4716	1675	0	1406	6743	20421	10410	996	6597	1895	0	0	0	4014	4055	10472	19947	6588	1418	2202	1183	18475	0	8173	1563	0	0	0	1729	1086	31534	942	1153	1234	1086	8881	14603	1190	0	0	0	6775	17756	0	1133	0	5910	4286	2693	0	6029	5323	2347	2271	0	2846	0	5150	6304	5179	1646	5356	1543	1337	23521	24471	41152	0	1023	0	0	0	0	1116	4107	0	2289	5336	0	5431	7113	1985	2882	2943	1614	2650	0	0	1987	12197	15826	0	5456	3978	3564	6541	4198	2156	1707	0	0	1141	5227	0	2204	6718	Phytochemical	0.3809524	0.8095238	0.04761905
22	C21 H17 O8 N1	412.1027	412.10315	-0.097454116	412.10266	7517	9587	9897	8501	8341	1819	2302	1758	9993	37506	25410	3215	7451	6156	3803	4285	2610	6734	9070	12763	22581	34087	4616	2228	2934	23657	1563	18685	2759	1544	2335	0	3582	1848	36217	0	2735	2811	4174	23175	26440	2100	0	0	0	22159	37988	0	1734	1174	9177	6746	7967	0	8530	6797	5797	2934	2894	5147	5520	21417	11625	10558	3004	8429	5015	3170	22787	32980	44631	1534	1324	0	2261	1325	0	0	8461	28222	5384	17929	3862	12409	9796	6153	6532	8966	4780	7708	4459	7428	6140	39039	45797	0	6336	6987	7762	7973	11023	4831	2398	4554	15134	2823	5799	0	3890	9304	Phytochemical	0.3809524	0.8095238	0.04761905
16	C21 H17 O8 N1	412.1027	412.1032	-0.009117309	412.1027	19288	20979	20112	17375	15248	10004	6850	3196	18832	79175	52989	2665	20344	7933	3734	5045	3639	15742	20724	38668	60044	50871	5816	6495	4091	60462	2889	26907	1912	2266	2515	0	4096	3161	88543	0	5375	3952	5415	41132	52257	4620	464	0	0	21382	34089	386	4619	2425	23093	17964	10013	0	15424	11415	7118	10181	3093	5305	6769	27506	24361	15040	7850	16374	10362	5472	73996	79680	110181	1306	0	0	3302	2356	0	2701	11205	52723	8440	27285	4365	29909	20280	7815	10091	8582	6654	0	12434	16407	0	61014	65563	0	12969	19509	11840	17220	13268	3946	2118	5898	18465	18381	14198	400	6446	26002	Phytochemical	0.3809524	0.8095238	0.04761905
12	C21 H17 O8 N1	412.1027	412.10324	-0.061153956	412.10266	7617	4936	4938	4241	7712	3669	0	0	10832	26469	18636	1846	9704	2714	1731	1625	2002	8320	7581	20162	28697	15218	2191	0	1239	31017	0	13316	0	0	1044	0	0	0	44847	0	2937	1779	2766	21738	34292	3323	0	0	0	9164	18622	0	0	2567	3282	6235	5473	0	6139	8758	3022	2771	0	0	0	11237	14074	6871	2220	9760	4781	0	61541	53452	64336	1827	0	0	0	1228	0	1179	3476	21541	3335	10379	3211	9869	9371	3848	6238	2683	2760	11241	0	3889	3814	25193	24363	0	4312	6258	6380	11144	11918	0	1450	2718	0	2562	4225	0	2889	12500	Phytochemical	0.3809524	0.8095238	0.04761905
24	C21 H17 O8 N1	412.1027	412.10312	-0.15382117	412.10263	7335	5144	2692	4828	4254	3121	0	1339	4160	22637	9658	1772	5057	1952	2140	1564	2074	6057	5373	7677	12859	16967	3618	2297	1790	6134	0	6010	0	1342	0	1187	2638	0	14456	1315	2563	0	1070	10109	18999	1525	0	0	0	12388	22048	0	1051	1788	5512	7957	1306	0	5384	2196	1009	2600	2104	2208	2500	10224	8090	5072	0	6642	1865	0	13486	11848	18175	0	0	0	0	0	0	2081	3733	20543	1601	9997	2674	7275	4874	0	3258	2818	2348	2239	1722	2780	0	26175	29683	0	6768	5780	2328	4909	2270	2800	946	2252	8943	2315	3579	0	0	7530	Phytochemical	0.3809524	0.8095238	0.04761905
20	C21 H17 O8 N1	412.1027	412.10315	-0.09984859	412.10266	14855	13257	14835	15639	14381	8588	3783	3434	16560	58625	43387	3325	13856	9474	6294	6405	4703	17678	21164	28455	41829	39375	4625	7095	3496	43943	3995	25086	3705	1890	1713	2797	5226	2191	79846	2262	7161	4821	6189	39783	53748	7343	591	0	0	27835	42721	0	4099	3261	20490	13208	11319	226	12861	11585	7734	4126	5626	5980	4003	24021	25901	13348	4983	12672	10479	5364	42522	59425	82164	2498	1307	0	4093	1888	269	2912	6405	48910	7772	25571	5649	27008	15892	8436	12248	11202	8403	6793	11487	12606	9998	67802	62890	0	13077	14850	11570	12108	14141	5820	3539	9262	18824	8846	8106	0	6242	26460	Phytochemical	0.3809524	0.8095238	0.04761905
18	C21 H17 O8 N1	412.1027	412.10318	-0.038787104	412.1027	40127	39739	48140	31768	40308	26397	12377	12026	38262	133813	81381	9030	66722	19359	12296	22463	12749	41506	39857	88303	102155	115133	13124	24716	14450	98022	8699	62140	0	10133	9535	15569	18491	0	153029	5508	26576	13133	14753	109245	98252	16585	1289	0	0	69327	67574	338	12658	10597	40544	46702	29567	0	34853	22036	19659	23269	23235	25539	18836	86863	50883	30603	19263	36244	19842	17717	108692	123139	148851	7556	6744	4880	13555	0	0	5530	26575	82902	16941	50041	25915	74368	36890	16273	24197	21338	18577	28490	57110	93688	40279	105300	135317	0	42305	40780	28253	28652	28728	21210	8107	29199	38135	19884	30936	0	15334	52485	Phytochemical	0.3809524	0.8095238	0.04761905
14	C21 H17 O8 N1	412.1027	412.10327	-0.023431877	412.1027	14428	12116	8456	13364	10747	5759	0	2661	15214	44847	35537	1323	19230	5441	2569	2933	2268	11789	13903	38866	39145	34675	4613	3872	3311	43501	2317	23963	2884	1207	3093	0	4786	1565	61638	0	3403	2292	3144	27373	39622	4233	0	0	0	15196	30881	0	2989	1221	12247	10312	5592	0	11100	10621	4489	6385	0	0	0	20410	16090	11080	3561	9220	5543	5467	48818	65142	80705	2178	0	0	1672	1958	0	2425	7759	25060	5104	16422	4481	21060	16016	6915	8875	3086	5303	8368	10025	6728	6270	40474	43351	0	10805	9233	15914	14458	11285	5355	0	2961	20200	2970	6262	0	3072	11126	Phytochemical	0.3809524	0.8095238	0.04761905
20	C18 H21 O8 N1 S1	412.10608	412.10657	-0.017471535	412.10605	6929	7804	6004	5980	6037	6482	2609	1757	5932	20935	4043	909	6432	3727	2506	2811	1555	7615	4662	11326	15079	17764	2728	5823	4382	8436	1207	6336	1622	1389	1327	1491	2618	1893	21948	1869	2865	2089	2036	15335	7321	4668	0	0	0	7691	5589	0	3661	0	4611	4879	4622	0	4902	3788	2497	3967	3032	3045	3495	13278	4826	4314	1471	5267	5695	3119	8629	13283	9324	1323	1583	2001	2233	2113	0	1485	4264	9679	2293	5911	3389	11198	7061	5555	2667	2509	1791	0	8469	12733	7862	14080	22112	0	4944	4350	4231	3842	1978	2353	2069	7432	6623	2493	3213	0	1361	7488	Organosulfur	0.44444445	1.1666666	0.055555556
28	C18 H21 O10 N1	412.1238	412.12427	-0.16239457	412.12375	6043	5713	5726	6042	6870	5886	2488	6010	6853	14839	5015	2157	13111	3268	4897	4232	3707	11685	7480	14514	21664	4834	5870	5589	3098	6204	2907	4478	3555	3931	3808	2497	4631	4092	16349	3798	4598	3348	3207	9478	8561	4408	0	0	0	10465	11979	0	5105	4083	7380	7006	7313	0	10647	6836	4158	4827	4691	3979	3761	7255	8919	5985	3597	5945	4956	2879	10748	11609	14972	4503	3794	3897	4203	3198	0	2952	2849	4915	3744	6386	2391	3280	10558	3568	3417	3140	3911	3207	3200	4339	3360	5615	7461	0	6452	7566	3759	4673	5574	4568	2964	4210	6177	4747	5321	0	2332	11575	Phytochemical	0.5555556	1.1666666	0.055555556
6	C18 H21 O10 N1	412.1238	412.12445	-0.10097578	412.12378	32933	32803	32113	36437	24219	17317	11992	33659	35335	56449	44448	26518	54960	12527	18180	33546	33378	46132	48359	49196	73882	47761	26692	39855	7852	11372	13095	13322	21359	24947	25172	26576	31480	22047	64392	26384	24554	18895	41169	36041	67283	25083	0	0	0	32373	52757	0	32847	29156	35007	33529	25655	287	46443	37637	19387	28301	22505	35711	32914	34726	65147	43185	18601	40241	25468	39817	27171	20243	36985	26557	23707	20909	21622	20895	0	18401	23322	16445	20112	17870	13235	12821	40493	21635	19048	26403	22300	38921	9532	21436	42646	43189	37186	0	35637	32249	25770	34225	37120	33974	18835	32649	37749	28518	29707	0	13311	61921	Phytochemical	0.5555556	1.1666666	0.055555556
8	C17 H21 O9 N3	412.13507	412.13565	-0.11152782	412.135	37676	33713	28715	31032	14806	12501	15167	34381	23416	21336	21295	32913	31534	6451	26189	35100	39530	29171	40266	26957	32540	51449	30641	39229	11412	1793	15558	8685	29430	26919	23307	28792	45095	28480	33906	25577	40005	26923	39690	26943	37401	23193	0	0	0	30068	37736	0	27358	27969	30059	31910	21194	0	33522	14677	17077	27119	31694	32344	38552	21882	38820	33134	18596	26975	24026	47377	4886	5063	11423	34199	24419	23450	23815	21308	0	21444	23226	14095	20848	17260	14374	8039	20349	17170	24044	28530	27757	54204	18500	45566	64391	25481	19991	0	36929	34242	13662	16438	14903	37510	24449	34734	16500	40855	16071	0	16624	44449	Peptide	0.5294118	1.2352941	0.1764706
6	C17 H21 O9 N3	412.13507	412.1357	-0.12168543	412.135	25208	25934	20811	26273	14804	10876	11212	24959	20464	17888	17192	22472	26823	4851	17968	32158	30661	27970	32942	17998	28490	39090	21788	28995	8103	856	12948	5331	18762	17537	22623	23565	30233	18606	23106	20367	28406	18540	35750	15388	28280	20558	0	0	0	20948	33390	0	27017	23979	24351	26509	20437	0	28784	14014	14261	25231	18264	24989	28796	18286	36076	25741	13611	23325	19682	44143	4860	6142	7106	21040	20084	13541	16080	14230	0	13810	17550	7451	13172	11698	8582	5195	21679	13986	17949	28935	22665	43091	14997	24500	48224	22040	17104	0	23616	25376	10849	15043	13258	31599	18093	24545	14023	29213	12808	0	10572	40354	Peptide	0.5294118	1.2352941	0.1764706
10	C17 H21 O9 N3	412.13507	412.1356	-0.14489786	412.135	20474	29341	23922	23788	14336	12912	16372	34646	18552	19904	14354	23375	23545	7260	26365	27735	27371	25590	28207	17247	22402	40801	29102	33391	14656	0	16292	10362	26062	23580	25472	25316	31423	29209	27100	23689	34662	23682	30344	22789	22542	15604	0	0	0	22910	24884	0	27142	28049	28471	26500	17660	0	27739	12115	14781	28505	30007	29687	30748	18908	29597	22026	13998	19427	22006	34753	0	7953	4419	28528	23813	25103	23381	24276	0	21517	25682	12920	19397	14471	13678	6803	16763	14931	21698	22764	21504	42001	16039	31789	60148	19604	18410	0	34661	23452	10672	10981	10938	33221	27520	28631	16980	38850	11013	0	15917	33384	Peptide	0.5294118	1.2352941	0.1764706
8	C22 H21 O7 N1	412.13907	412.13968	-0.12971029	412.13904	5582	6101	5567	7180	4468	2577	1706	2630	6357	26874	16411	1694	5242	3661	1614	2901	1665	3323	6684	22918	21908	11807	3978	3482	987	22863	963	7671	3021	1854	2170	1956	2054	1317	26237	1401	2324	2730	2637	12077	17186	1783	0	0	0	10230	14172	0	3279	2118	6930	5140	3432	0	5473	4895	1335	2175	0	1873	0	11164	3185	1905	0	5807	2431	1645	32809	42500	58885	1905	2202	1120	1129	2715	0	954	3885	7520	2775	5823	2824	11686	3725	0	3308	2125	2067	5121	0	0	4521	15043	15472	0	5972	5211	3040	3966	3715	1756	0	3420	0	2799	3087	0	2426	3052	Phytochemical	0.3181818	0.95454544	0.045454547
12	C22 H21 O7 N1	412.13907	412.13968	-0.027313804	412.13907	9843	11174	11308	9140	8411	4349	0	4661	11698	44061	38021	3452	10272	6692	3539	5951	3988	12879	11802	46195	57148	14196	7154	7239	5708	73667	2834	24007	5006	4045	5045	3323	4951	3594	57630	2604	4648	3760	6973	28300	39268	4477	0	0	0	21436	31761	0	3962	3359	11350	10314	8208	0	7029	7482	3349	6223	0	0	0	22418	7589	7631	3972	6835	6704	5912	78357	93142	115104	3330	1754	2194	2288	2979	0	3662	5639	15711	5025	12506	3391	19993	6657	5144	6792	3607	4601	20041	10235	6746	12580	30576	27856	0	11857	12226	7627	5669	5493	4447	3029	6644	21912	3800	9141	0	7321	12234	Phytochemical	0.3181818	0.95454544	0.045454547
22	C22 H21 O7 N1	412.13907	412.13953	-0.11139312	412.13904	18586	20284	14440	15938	14779	7474	3693	7606	12270	60275	53759	3383	8083	6467	5176	7023	6981	12149	14369	33609	52723	35373	4233	5665	6598	59906	2941	51255	3887	3634	2724	6219	6129	3852	62464	3445	5034	2905	4950	51373	53078	7808	0	0	0	42044	46698	0	6528	4230	15158	18158	10206	0	12761	9643	5873	8404	6630	7863	7271	37887	14937	12170	4577	11200	8266	7759	71756	84333	110141	2683	1701	1294	2772	3689	290	3109	11226	31236	6691	23098	8221	34720	13801	7823	11711	10237	10563	13582	10214	18952	12345	37039	50190	0	12197	15526	10016	9603	10349	6028	4738	10737	25651	10101	9218	0	7199	14080	Phytochemical	0.3181818	0.95454544	0.045454547
18	C22 H21 O7 N1	412.13907	412.13956	-0.102633074	412.13904	40226	35826	39800	31713	21385	17230	6644	9631	22076	117962	86636	7876	21691	15100	12199	19781	13360	20629	32774	83758	107165	57823	13609	16830	12415	139876	9239	84203	12203	9157	9432	9321	21024	11954	117807	10210	19918	7588	13483	88521	96502	11304	0	0	0	43036	62784	0	12255	7924	29374	36628	19187	0	20613	15963	9674	12191	10852	17428	24923	58769	34173	20092	11820	26202	20299	15292	134044	171653	198408	9661	4363	5589	8526	9774	0	5538	21532	52977	13789	36961	13861	48479	20175	13270	17498	16734	19252	33455	34798	37992	24747	50342	83539	0	38667	25998	22056	19641	17605	18478	7505	17538	26431	13490	15476	0	10815	20921	Phytochemical	0.3181818	0.95454544	0.045454547
16	C22 H21 O7 N1	412.13907	412.1396	-0.1003521	412.13904	23281	26415	24986	26710	22428	11215	7325	11531	18353	92918	64656	8304	14897	15275	9043	13045	11144	19110	26710	83814	84726	44179	12204	12539	9675	125422	8674	57988	6049	8094	7963	5681	13721	6713	106657	7251	15199	9331	10728	63889	72745	7077	598	0	0	38101	40413	0	9712	6191	27816	25157	13648	0	16559	13527	8877	15111	6532	11584	17462	39458	29533	12582	6943	21287	11951	9423	123491	171563	183003	7162	7174	4381	6013	7002	0	6438	19852	40967	12955	25899	8700	46055	18176	9725	17985	11476	9041	0	28734	25347	0	47629	76041	0	25694	28306	17945	16861	15666	14513	5842	14303	22716	17126	15380	0	10037	27518	Phytochemical	0.3181818	0.95454544	0.045454547
24	C22 H21 O7 N1	412.13907	412.13943	-0.16840014	412.139	6810	9104	6999	6828	4852	3650	1299	0	5927	22362	20035	0	5761	2665	1924	2443	0	5567	7037	14779	18041	10811	2581	3100	1475	27614	1175	16475	1636	1093	1696	1101	4265	1167	18708	1113	2371	1255	2843	21119	26851	3405	0	0	0	16843	29564	0	3317	1314	5868	6477	4115	0	4368	3421	1542	2890	1849	2652	4779	14104	7275	4822	2365	4132	5651	1543	26526	28988	51993	1320	1844	0	0	0	0	1233	2334	16055	2545	13554	3490	17162	3418	0	3248	3407	4774	5488	2565	3498	5788	17930	19846	0	7196	5986	6800	3165	1873	4223	2053	2868	10224	2357	3946	0	1654	5557	Phytochemical	0.3181818	0.95454544	0.045454547
14	C22 H21 O7 N1	412.13907	412.13962	-0.06518099	412.13904	22121	23486	16554	18145	13703	5378	7881	5013	14792	61902	42912	5103	16010	8290	3847	9733	7556	16322	16368	55025	77181	26820	6398	9422	7319	96393	5018	45317	5250	4612	5465	0	7787	3483	73401	5607	7686	6093	9354	42821	51029	4173	0	0	0	31319	35773	0	7955	8699	15034	16032	7508	0	12009	9534	8020	11646	0	0	0	29935	20169	9105	6262	8697	9677	8039	91390	122158	123612	5162	2884	2775	5808	5575	0	4229	10715	28316	9882	14494	5968	28467	13848	5926	9786	5779	8375	17276	17885	16069	22495	28658	44530	0	19827	18362	10242	13090	8308	6253	5259	12702	15816	11005	10131	0	7224	10480	Phytochemical	0.3181818	0.95454544	0.045454547
28	C22 H21 O7 N1	412.13907	412.13934	-0.2369071	412.13898	2076	2167	1964	849	1244	0	0	0	943	6028	3866	0	0	0	0	0	0	0	0	2203	4039	7701	0	0	0	0	0	3569	0	0	0	0	0	0	3248	0	0	1062	1307	3427	5137	0	0	0	0	0	4650	0	0	0	1245	1480	1451	0	0	0	0	818	1009	0	0	1907	2350	1507	0	1528	1076	858	7711	5069	10785	0	0	0	0	0	0	0	1098	17150	0	1772	1014	2253	0	0	1263	0	1363	1533	1148	1446	0	25229	12446	0	1456	0	0	797	0	0	0	0	0	1554	0	0	867	0	Phytochemical	0.3181818	0.95454544	0.045454547
10	C22 H21 O7 N1	412.13907	412.13965	-0.07382521	412.13904	11536	7851	7776	7592	6540	3634	2455	2354	8349	44081	28670	2876	8971	5867	3244	5358	4044	6894	7174	39086	39367	16352	2420	4764	1553	56215	2181	26271	3253	2323	2268	1719	4946	1818	47699	1561	5536	2187	3199	24839	30304	3784	0	0	0	16922	24696	0	1962	2295	10491	10335	4238	0	7207	6249	0	5501	0	3015	0	12644	7462	5968	2030	7181	4932	3986	60249	64447	81864	3186	2878	1702	2160	2425	0	2563	6545	18789	3971	8220	2396	14778	7968	2495	6844	3532	3190	6236	10594	6451	8214	16741	31484	0	9242	8855	7380	8094	6906	2933	2582	5368	0	4424	4682	0	3890	7704	Phytochemical	0.3181818	0.95454544	0.045454547
14	C15 H25 O12 N1	412.14496	412.14523	-0.10896295	412.1449	159903	109080	124264	154038	88202	84073	28088	123324	82038	147383	87315	46641	116598	54373	121333	104927	79292	119574	120196	211183	178420	250356	102522	126810	110064	52188	84936	0	114249	101035	112100	44844	168404	110006	197762	61445	74462	91069	109930	171500	93118	86364	0	0	0	141256	55776	0	128393	107194	126074	98955	87041	0	111588	69680	52420	156501	78117	37533	0	127854	102486	75450	49255	105024	87496	93394	44886	52987	61453	128169	119174	100716	87132	112876	0	98346	109509	0	100786	103105	127888	115722	68196	22296	90528	50106	99084	59468	87811	258830	142013	56955	168839	0	156782	106977	57265	62833	89495	160409	80362	184986	0	123258	87698	0	45857	108852	Unclassified	0.8	1.6666666	0.06666667
28	C19 H25 O9 N1	412.16022	412.1606	-0.19004205	412.16013	11279	11537	9917	9565	8089	9293	6168	12500	8886	22489	7785	6786	14889	6065	10114	12414	10828	15985	10426	28627	25377	8225	11837	14062	7711	28779	4690	8203	11545	16224	8171	8548	10403	13422	17861	12580	9475	6678	8861	14301	12069	9671	2084	2941	5906	12387	12481	1338	10662	13217	10987	10026	8692	4217	11422	9464	7196	10314	7359	6163	15079	10575	12473	8321	6213	7854	4963	6361	24619	33466	31083	11780	9211	13336	13097	8198	4074	7508	7398	3980	7652	6825	6802	11133	10656	6560	6881	6000	6967	5197	8312	7342	13113	4011	9141	2674	10760	14609	7073	6229	7855	11696	6024	10951	10191	8154	6533	1896	5347	12277	Phytochemical	0.47368422	1.3157895	0.05263158
10	C19 H25 O9 N1	412.16022	412.16077	-0.09481634	412.16016	541612	508902	243406	457016	136205	120996	332990	704420	169719	922234	221009	389640	222309	85943	405892	576178	424180	236634	261397	542805	525643	701210	459218	719442	165946	328800	327208	177323	288609	593034	505332	576410	602344	480212	1069508	313747	567172	361836	438592	746158	671552	148287	6012	970	714	343116	333622	633	517644	314357	516160	488684	137366	1872	250419	143177	95559	534008	301102	246425	351021	254297	198553	177856	97336	172353	135617	464304	340944	354198	358811	571028	524230	623482	185158	478658	629	201715	389742	181774	413304	430484	223107	185403	185880	123869	348482	136172	152241	419882	355414	468002	665014	370594	660530	2828	486756	628538	128423	110412	137456	568900	374668	402688	256627	430818	145177	550	301104	210492	Phytochemical	0.47368422	1.3157895	0.05263158
4	C19 H25 O9 N1	412.16022	412.16086	-0.15277265	412.16016	14892	32568	14959	13622	9262	11567	5484	15652	13491	20640	13205	18494	22184	5458	18746	27306	16167	15745	15758	19745	25576	48500	25382	28810	5497	6395	7792	6925	11677	12208	12200	10679	31734	11464	30981	12431	26368	17642	38396	16416	21246	8933	0	238	0	18058	24049	0	13905	14320	15390	12949	8302	282	37082	12182	6718	11550	12225	13775	14780	11849	21608	15548	6924	15234	8877	16734	10883	11485	13633	22372	10725	24974	4071	11097	0	16588	18282	9344	10546	9129	7310	6256	14840	8123	7416	9181	10535	27430	28556	25208	39040	12278	15770	525	12779	16366	11865	14461	14160	15848	8189	18780	12152	24312	10486	0	6043	43046	Phytochemical	0.47368422	1.3157895	0.05263158
26	C19 H25 O9 N1	412.16022	412.16064	-0.17384763	412.16013	10681	9521	11783	8988	10745	8896	2941	16091	9671	22717	8236	7798	21392	4498	6483	12322	9157	13561	16078	28371	30851	9805	8524	16578	5236	16063	4382	6508	7922	8275	7697	7177	7800	7870	20724	8254	10295	8570	6819	14884	18847	9674	0	0	0	16581	16852	0	8317	9348	10738	8546	8878	0	14132	10620	5330	7902	5552	5365	10574	9923	17138	10262	4529	10795	5053	6542	23753	28810	29886	11595	13065	10128	13242	8770	0	6883	7491	0	7595	6889	6758	10604	13963	6606	6947	7721	5805	3984	4503	4119	9893	4630	10605	0	14394	15171	6970	8874	8226	9706	7502	11913	5769	7595	6476	0	5717	15828	Phytochemical	0.47368422	1.3157895	0.05263158
14	C17 H25 O5 N5 S1	412.16492	412.16534	-0.2858763	412.1648	0	0	0	0	0	0	0	3613	0	0	0	0	0	0	2121	6573	0	1683	0	0	1697	0	1660	0	2146	0	0	0	26502	2278	3846	17424	0	2817	0	11652	0	0	0	0	0	1043	0	0	0	3127	0	0	20488	1974	0	0	2106	0	0	1302	937	12564	0	0	0	0	0	0	0	0	0	0	0	0	0	1615	0	0	1283	1685	0	950	0	0	1242	0	0	0	0	0	0	0	0	0	0	0	0	0	1686	0	0	0	0	0	0	0	0	0	0	0	1057	0	0	0	Peptide	0.29411766	1.4705882	0.29411766
8	C18 H25 O8 N3	412.17145	412.17203	-0.19242047	412.17136	50977	53864	43675	55588	19771	18116	29529	58395	24479	40187	21346	39979	29555	8651	50897	61907	40555	33966	42389	50840	39891	87320	47878	67137	35047	3337	34207	12156	56547	49972	46004	58759	69383	50407	57042	54143	63157	41166	51189	56383	35787	30096	0	0	0	53639	41825	0	56582	52382	48983	48107	26045	0	40461	11918	20976	61121	57715	34227	66137	33781	32708	31998	20190	32545	30146	49445	6993	17150	16772	61039	46956	48325	30909	48805	0	41137	40767	24045	32968	26635	37654	23849	17483	17294	39293	29673	32955	65385	60385	84085	113565	35167	37742	0	48816	46100	14865	13418	12292	57910	37823	66925	27173	66622	17751	0	32214	38181	Peptide	0.44444445	1.3888888	0.16666667
6	C18 H25 O8 N3	412.17145	412.17206	-0.16635221	412.1714	45570	47938	37693	40658	18572	17504	25999	52205	24483	30340	20954	28395	28901	8258	37510	54261	35973	31799	41311	39226	42129	63517	41084	59206	24565	3469	23420	10251	46455	40528	41823	48302	65630	42629	49866	45770	53377	34779	49119	36318	37065	23735	0	0	0	42258	46977	0	48001	42901	46429	38080	22369	0	34027	14329	16511	52453	44666	31482	51567	24638	35467	31808	13880	29044	29184	52605	5676	11332	12629	40962	41222	39620	20122	33932	0	28012	28456	22481	25014	19924	25839	16271	18078	20372	33226	25327	29772	66388	56685	70125	92289	27762	33936	0	39662	35436	14242	12762	15556	51602	29801	51952	25645	52247	13179	0	26304	40025	Peptide	0.44444445	1.3888888	0.16666667
10	C18 H25 O8 N3	412.17145	412.17197	-0.22151771	412.17136	45391	39374	42580	45260	14863	19379	33195	59626	20310	33735	14252	31080	21923	8418	46400	51586	31574	34889	38327	36854	33989	73227	42325	69026	41174	4113	31945	16249	50946	44966	44693	54458	61477	42325	44363	44631	74167	38831	40360	55980	24852	24399	0	0	0	42484	35994	0	55719	41553	45358	45177	19273	0	34604	10557	16128	59640	58870	31224	59322	26796	25417	23472	16118	25000	22713	48732	0	11366	11814	53137	42039	41590	32155	43363	0	35981	37260	22737	30180	24159	31253	16318	14296	16944	37149	24596	26500	60543	51747	80392	111488	22132	32453	0	46523	44391	15222	10886	9394	57827	34598	63181	26619	55950	15325	0	38262	29606	Peptide	0.44444445	1.3888888	0.16666667
14	C18 H25 O8 N3	412.17145	412.17184	-0.2571616	412.17133	11638	14833	10313	9963	5472	7141	11197	22049	6990	5911	4565	7130	6760	4019	10971	20732	15651	8751	8585	7618	9722	21046	13583	16673	19212	2572	10676	0	15614	13860	13692	18550	24862	14138	7379	16746	16516	14333	9610	9436	0	5767	0	0	0	10597	7253	0	18373	10712	12863	13341	7061	0	8892	4014	6554	17968	26529	7986	0	4646	6775	5163	3947	7141	9431	11915	0	7276	2647	14904	11528	17733	11573	16729	0	12058	12040	0	8380	6520	9012	3785	3246	4814	16129	9778	7714	18654	17390	19754	36821	0	9267	0	14336	14309	4386	0	0	19153	10476	16009	0	19108	2956	0	11417	6534	Peptide	0.44444445	1.3888888	0.16666667
12	C18 H25 O8 N3	412.17145	412.17194	-0.2472249	412.17133	29779	24550	23792	21024	8382	12716	28429	44520	12092	14737	9326	18770	11048	6585	27992	28180	29259	20447	25919	25113	14809	44621	29215	42130	29397	0	17006	0	35019	21702	34076	31351	43556	28724	28863	30414	33415	31949	26303	29648	13097	14707	0	0	0	26602	16326	0	29520	26167	25397	19589	12425	0	20865	4682	9811	32870	39747	20441	38421	16849	15888	14288	8399	20097	18373	32903	0	8386	6176	31473	26224	25617	15898	24248	0	23211	23956	0	17790	14461	23351	8374	7902	10375	21178	11439	20619	43382	40425	52863	63659	16678	15760	0	23775	22824	6626	0	4162	29360	19679	26741	0	35945	9481	0	24957	17857	Peptide	0.44444445	1.3888888	0.16666667
4	C18 H25 O8 N3	412.17145	412.17212	-0.17219529	412.17136	19939	21002	17696	17425	9614	10617	8408	19973	13514	11780	9957	12695	17265	5450	16211	20620	21477	16984	18963	14557	14370	30619	18223	21537	9675	1920	10287	10064	16890	13331	16928	15206	23984	12698	18132	17364	22106	13410	31603	14694	16416	10636	0	0	0	16877	17673	0	17735	18600	17449	16253	9166	0	17089	9285	6552	19973	16732	15557	21309	13568	19462	14770	9297	16606	10787	24155	4288	4302	5998	15171	12882	14424	7601	14540	0	13087	16429	16876	11020	10647	9939	5020	12751	9551	13793	10763	13628	25805	43254	37301	42914	11509	16433	0	19923	21076	8849	10454	8410	20953	12550	22314	10523	19427	8949	0	11152	19384	Peptide	0.44444445	1.3888888	0.16666667
14	C23 H25 O6 N1	412.17548	412.17593	-0.23843832	412.17535	16053	12558	10969	9835	8429	5053	7543	6177	9056	40888	40303	7263	7147	6489	5432	14940	10946	6513	7615	49671	57380	18159	6077	14171	4856	76358	4593	48165	6543	7954	6800	0	10891	6085	49433	8504	4654	8809	14701	35325	33149	5335	0	0	0	19039	27913	0	7555	8203	16072	14316	7614	0	5188	5267	4974	10379	0	8087	0	19403	7296	6322	5061	6937	8193	12024	55945	96043	99132	5230	5021	5266	8726	8006	0	5175	9903	18238	7739	8468	6155	20517	6787	3605	14400	5473	5296	23507	15764	10937	18873	16676	26402	0	10342	11841	6632	4054	4124	9553	4283	10192	0	7482	4664	0	9162	4891	Phytochemical	0.26086956	1.0869565	0.04347826
20	C23 H25 O6 N1	412.17548	412.1759	-0.15538044	412.1754	34292	38987	38056	37555	25097	19961	11460	19944	19070	78959	76140	14520	17639	26562	14190	30789	21893	23319	27767	87076	112000	54363	17529	32101	21629	149377	10017	76303	20691	18070	15635	22574	25359	22498	80899	18689	25092	15158	27805	73794	89667	20482	1395	0	0	50740	66104	0	21026	13740	36401	42216	17884	0	13685	15116	15793	28880	17628	28653	28274	54838	19589	18329	11896	23327	20172	25192	123423	162868	196572	22926	18427	15689	15385	17977	0	12021	22656	46736	15527	24125	16434	62769	24987	11228	27184	23505	20823	46088	48295	29474	48162	42638	53870	0	30975	34818	16879	15805	15752	26479	10173	26834	32060	29366	17407	0	21768	23370	Phytochemical	0.26086956	1.0869565	0.04347826
10	C23 H25 O6 N1	412.17548	412.17596	-0.25010014	412.17535	6708	7296	6653	7627	5500	4899	2985	5680	4463	32158	21001	2354	2012	3449	3409	3793	5374	3962	5277	39181	38865	9335	4113	6980	2397	53107	2041	19028	6664	3667	3440	4353	6754	3764	32683	2512	7279	2485	4766	17192	23621	2039	0	0	0	14869	15943	0	5207	3269	9944	7568	2945	0	3661	3304	1860	5757	0	2955	0	12460	3453	4148	824	3787	4174	7104	41214	61611	63096	4248	4598	3233	4134	3034	0	2094	4791	8712	4290	3618	0	18183	4039	2683	6460	4019	3501	9711	7325	1604	10220	10460	21925	0	8909	7214	4608	2503	2541	4833	2519	5509	0	6965	3336	0	4042	3653	Phytochemical	0.26086956	1.0869565	0.04347826
22	C23 H25 O6 N1	412.17548	412.17587	-0.15296894	412.1754	31116	28549	27187	25195	22061	13755	7922	20203	21061	59396	59906	9557	14531	14466	7878	24295	19733	20489	23095	66517	64746	33501	14490	27363	15857	113487	10932	71311	16876	19100	17445	15125	21894	15627	54840	13603	21281	9332	13534	57643	79184	16531	0	0	0	41858	47557	0	17517	15429	27264	27358	20726	0	13362	13891	13545	22751	11135	17392	24117	36737	15502	12508	9182	20454	24175	20724	110361	118277	141646	14324	12106	11275	9863	10354	0	10875	17633	36184	13425	25327	11537	49475	16556	13403	16448	21572	19214	29214	26757	38397	34460	35338	46608	0	27766	23108	14382	15865	12395	25572	11731	22217	24882	20285	13743	0	13007	18239	Phytochemical	0.26086956	1.0869565	0.04347826
18	C23 H25 O6 N1	412.17548	412.1759	-0.16336001	412.17538	27302	36474	28875	25614	13557	12293	13244	15370	15854	71155	60400	13268	16649	15622	9332	22289	23046	22208	22158	80516	86450	32590	15495	28109	18992	138869	11898	58791	15755	13965	19268	18429	28318	15948	65737	16493	18549	11244	21714	66573	84934	17349	547	0	0	35314	38167	0	18965	16594	30225	32368	13893	0	14929	14283	10410	27435	12946	20454	20904	43276	18182	7441	10641	17851	22280	28609	117972	143758	190413	15818	9095	10185	19103	17083	0	9080	18450	39182	16364	25156	16650	46702	15477	12634	21237	16628	15877	47584	33802	33371	39784	39452	52604	0	31795	32127	14139	13793	12858	18320	11129	25135	21758	26593	13589	0	17411	17290	Phytochemical	0.26086956	1.0869565	0.04347826
8	C23 H25 O6 N1	412.17548	412.17603	-0.18343802	412.17538	5532	6441	3829	4616	2485	2537	1913	3863	2743	21544	13634	1353	3709	2586	2834	4344	4226	2170	4115	20899	21417	3403	2827	3573	1603	30710	1584	8596	2783	3807	2715	3457	3661	2892	22584	3481	3832	2251	2884	12966	10656	2685	0	0	0	6112	11641	0	2894	3421	5339	5596	1821	0	2154	1717	1219	2996	0	1409	3941	6433	2207	0	0	3536	3805	5562	27361	34050	41407	2773	2532	2755	3262	2404	0	1732	3667	6121	3096	2791	1080	8131	1288	0	2872	2953	2216	8567	11825	0	5542	8310	9890	0	6331	5692	2336	1211	0	4557	1202	3161	0	2095	0	0	2960	897	Phytochemical	0.26086956	1.0869565	0.04347826
16	C23 H25 O6 N1	412.17548	412.1759	-0.2510645	412.17535	25443	23208	23966	21638	9409	5654	11498	12642	9057	64393	38393	9292	8703	14083	9687	14043	11004	6380	15645	67168	67264	20142	10500	20594	9092	90254	8964	34964	13662	11542	11142	17604	15377	12777	59586	12556	14979	10684	12021	47508	58656	10959	358	0	0	19782	29597	0	14458	10829	22561	23490	8178	0	9466	8522	6406	19196	4179	13849	15092	31930	10459	7444	5777	11205	14690	17315	88485	102445	124161	9891	10604	8561	8292	11699	0	7892	17696	28185	9475	14793	10034	39005	8554	6940	20899	9615	8191	46641	23858	18168	0	24918	38575	0	23533	25709	8296	5805	8797	14715	7135	12730	8648	20376	12365	0	12933	12570	Phytochemical	0.26086956	1.0869565	0.04347826
26	C23 H25 O6 N1	412.17548	412.17578	-0.1568501	412.17538	5417	4311	3810	4627	2884	2408	0	0	2587	7206	8277	0	0	1943	0	5782	0	0	4146	6502	10200	5041	0	7218	0	8799	0	12406	0	0	2588	0	5515	3188	7947	0	4414	0	3967	9380	10356	0	0	0	0	6789	8720	0	3099	0	5315	4953	0	0	0	0	0	5638	0	0	0	5322	0	0	0	2904	3476	3569	15372	12432	22869	4521	3275	0	0	0	0	0	3187	7077	5225	6357	0	4427	0	0	3020	2729	0	15586	3058	4057	14016	6491	0	0	3738	0	0	2082	0	5369	0	0	0	6421	0	0	3388	3305	Phytochemical	0.26086956	1.0869565	0.04347826
12	C23 H25 O6 N1	412.17548	412.17596	-0.20079584	412.17538	9410	10387	11496	6945	7566	5321	5888	7252	6570	40745	28537	4688	3637	4359	4771	6821	5282	6365	9268	56987	49542	12356	3370	5132	5436	58491	2395	26168	6416	4725	5509	5630	6977	3340	42669	3634	4749	2800	8024	26440	28932	3279	0	0	0	12584	21367	0	6820	4668	11402	10606	7301	0	6298	3142	2520	3245	0	0	0	16196	5172	4673	2735	6851	5171	9110	49035	81483	85602	3489	4978	5966	3628	8575	0	3735	5740	0	5649	3463	3949	20783	4000	2731	6897	3773	4600	21143	7304	5164	12829	14375	19476	0	14236	11596	6335	2201	1969	8419	2513	6525	0	6275	2981	0	9362	6597	Phytochemical	0.26086956	1.0869565	0.04347826
22	C20 H29 O6 N1 S1	412.17883	412.17932	-0.06314445	412.1788	6761	7395	7035	6137	6407	6561	1479	1922	4038	10447	7996	2888	3225	0	4283	7294	3975	5842	5716	19599	16250	10584	2544	5779	4715	12021	2760	7372	3229	2340	0	0	3364	3114	9353	4758	4558	2044	4325	13601	17198	2852	0	0	0	10793	8596	0	2983	2237	4953	4482	6489	0	4699	5570	3763	4015	8025	7662	3914	12292	4535	4308	2728	7137	5631	6864	10121	16121	12700	1759	2307	1478	1788	1846	0	1874	4120	7415	1822	6928	6422	9788	3286	3235	5670	4157	4681	3748	24417	26265	9930	10476	23688	0	3262	7131	3137	3953	4959	7679	2845	16557	8037	3709	5885	0	2227	4139	Organosulfur	0.3	1.45	0.05
0	C16 H29 O11 N1	412.18134	412.1821	0.039028168	412.18137	3212	0	3134	2893	2982	0	0	5684	0	0	0	2257	5270	0	0	0	1774	5785	0	0	1403	2617	2172	6850	0	0	0	0	7396	3740	4362	8883	10331	16828	2037	8595	8586	1345	2121	0	0	3508	0	0	0	1628	0	0	4484	2157	2914	3070	2529	0	2884	0	0	5997	733	0	1737	0	3697	2661	0	7178	3422	2823	0	0	0	14259	21969	8488	0	5260	0	2521	0	804	0	0	0	0	0	0	1685	5175	4576	2502	0	1934	7765	0	0	0	0	3303	0	593	0	0	0	0	0	4797	798	0	0	6837	Unclassified	0.6875	1.8125	0.0625
6	C16 H29 O11 N1	412.18134	412.18225	-0.13230944	412.18127	5601	6051	5236	4325	63512	8037	5622	8407	2427	0	0	4133	8425	53778	6025	11466	6321	0	6960	0	1093	3303	3334	7325	3984	0	5936	3006	8067	5190	9144	9116	9496	10647	1573	11524	13131	4588	11165	0	1028	11308	0	0	0	0	0	0	12973	5678	4609	5075	35145	0	2377	2535	3070	8958	2546	1472	7305	0	2136	0	2928	12110	28533	10406	0	0	0	6599	8812	7216	6173	6223	0	4370	4259	0	2664	0	1443	0	5549	0	5891	4386	5829	9887	0	6255	10442	0	0	0	5708	6291	1476	1166	0	7799	3917	0	0	8053	12586	0	4243	2873	Unclassified	0.6875	1.8125	0.0625
4	C20 H29 O8 N1	412.1966	412.19727	-0.19970492	412.1965	31860	32370	16460	15865	7688	10961	9448	18331	11904	20351	8557	9917	14692	4824	14339	17265	15927	22876	28926	22185	22499	25688	13307	19457	11190	9608	9226	7342	21233	13797	17918	16675	35298	15207	30460	17668	17519	22050	16563	20223	17167	8763	0	0	0	18364	17784	0	18420	17910	17030	13786	7347	249	14092	7911	4494	19242	13847	11063	16235	13602	13587	10595	5336	11832	8369	13916	9597	13684	16446	18490	15511	41394	8163	16102	0	12486	12302	12708	11238	9653	10890	8810	8044	7516	10724	7932	10246	14012	30940	52616	58762	24744	17168	0	15191	18284	7155	9799	8914	20824	9985	26122	10697	15919	6291	0	9032	14393	Lipid	0.4	1.45	0.05
6	C20 H29 O8 N1	412.1966	412.19724	-0.20423287	412.1965	88122	84556	81654	45266	21427	21584	22331	68749	25900	77453	27777	27023	33687	11477	75782	47904	25401	32975	36343	73200	78169	140998	35700	55755	29660	23083	21350	21622	55957	108756	98348	105878	120164	93384	194736	54774	110410	29643	30462	53137	38906	22973	0	0	0	48036	39220	0	61974	50352	93516	92624	21015	289	35869	19576	14131	103060	37854	20922	52153	31222	30316	30435	11762	27698	28466	32977	23019	46793	44473	48586	47606	57174	22186	46622	0	34350	25030	17701	22871	21977	27515	27804	17497	19280	23668	18532	25374	37570	67575	148780	71681	29932	47682	0	86366	81116	14049	19256	19698	49909	28360	75180	21031	43306	15327	0	22932	38956	Lipid	0.4	1.45	0.05
28	C20 H29 O8 N1	412.1966	412.19702	-0.211157	412.1965	10429	10101	9557	8489	9557	7209	3929	12049	7986	17115	7249	4198	20384	5483	8197	10314	9782	11795	14048	25787	22917	8026	8348	12302	3580	23022	4323	7606	9939	6884	8430	7892	10073	10737	15324	10460	8553	5528	8424	10446	9645	4652	0	0	0	10278	6408	0	8489	10307	9215	8964	7641	0	12208	11093	4725	10543	3649	5306	9258	5149	15068	9041	3762	15990	5684	6769	21707	38984	34799	9535	8532	7158	9053	5786	0	6067	9085	3535	6106	3517	5860	7856	9793	6141	8897	6265	5622	6986	7249	9694	12971	2798	6793	0	9048	10643	3806	10730	15941	9172	5911	9186	5274	7865	5572	0	4545	14202	Lipid	0.4	1.45	0.05
24	C20 H29 O8 N1	412.1966	412.197	-0.17995039	412.19653	55584	50403	51362	54451	51837	35581	20099	50581	57897	88587	36757	37296	94920	29108	36457	54086	30705	76326	74730	86195	98135	32128	50270	58289	30362	84529	19444	21496	0	40525	39532	38210	44168	45375	71498	46287	0	32944	33938	64250	61313	26065	1811	0	0	57710	62232	0	43198	42176	53031	51147	34866	0	74113	57581	26315	44818	31003	23709	57379	44793	77729	53380	17569	61827	38477	31776	88270	132242	130438	53554	46544	45802	42762	40754	0	36448	51787	21841	47797	30237	26114	38663	70672	27150	46264	29541	32432	35291	31453	35346	60663	22665	48817	0	57977	55005	38365	60236	67659	45160	27482	44362	29406	37710	40759	0	34914	77216	Lipid	0.4	1.45	0.05
12	C20 H29 O8 N1	412.1966	412.1971	-0.15874001	412.19653	161258	151833	172890	153599	103543	99334	168536	324685	120529	204031	113006	146400	134051	58416	214576	194091	242593	162562	217333	321620	335392	205321	232403	252078	190548	296863	99495	132553	296776	201320	215084	183763	255849	174670	289241	231390	170522	162353	213025	213188	217481	126431	3877	1030	968	270843	220416	360	182050	232055	156766	161459	117073	1367	182368	127547	83719	200162	242956	217103	207278	167631	151628	120808	66337	133446	103902	229838	286146	305507	287961	178575	202144	242367	169037	168225	439	177353	182044	121161	185436	156987	173609	127466	161713	106003	165532	77521	120246	240704	144184	190310	258354	141119	144962	2165	164967	243888	111672	102979	130875	197066	152161	216396	181825	187010	118905	866	169100	147572	Lipid	0.4	1.45	0.05
8	C20 H29 O8 N1	412.1966	412.1972	-0.20367846	412.1965	71543	140110	59429	68425	25539	32828	38700	87497	35262	226416	83890	47667	59557	18504	56212	80970	46022	46211	60820	122752	112862	211052	59921	80760	47020	44281	36651	70678	78429	68268	73002	78158	73402	64099	136974	79917	84342	39017	55999	92453	66221	33138	689	0	353	85142	56702	0	86536	72467	137100	137764	33931	342	53796	28210	21613	71342	58151	45055	82547	48836	49792	41633	17973	45447	36469	54898	43882	74593	65069	74218	63369	76479	39281	69772	365	52673	48066	80330	41176	38413	44082	48367	33786	23267	41440	30304	37143	56615	80143	205358	195454	49551	83473	0	136502	69737	25464	28935	28743	72156	44800	105684	27232	63046	28401	0	44095	54506	Lipid	0.4	1.45	0.05
12	C19 H29 O7 N3	412.20782	412.20834	-0.11209254	412.2078	6719	8246	6327	7098	0	4052	8740	14197	3155	4589	2938	5550	3880	1911	9158	6859	5815	2115	6776	4984	4724	10692	8632	8588	11633	1288	2510	0	10947	8161	13581	11125	17362	9561	4929	8461	12600	8034	9196	4562	3864	2912	0	0	0	5604	0	0	11467	7363	6724	2649	3799	0	4978	0	3238	13555	5771	0	0	0	3633	3592	2491	7637	5416	7976	0	6514	1706	9270	8120	8791	4862	6692	0	4990	5996	0	5724	3239	6195	3897	0	2490	7131	3670	6605	12448	26101	27506	17836	3832	3479	0	5116	10053	0	1429	2702	11745	5365	6191	0	11755	1930	0	7133	3711	Peptide	0.36842105	1.5263158	0.15789473
4	C19 H29 O7 N3	412.20782	412.20853	-0.18435834	412.20776	10645	11556	8659	9592	6063	5672	6492	14890	6856	5605	2407	5665	7213	2587	11105	12703	6755	10281	10173	8253	6643	12952	10374	13020	11972	1142	6829	0	9355	9030	8660	10926	13906	8804	11147	10745	12314	7094	11818	7287	4260	5323	0	0	0	8178	6129	0	11208	8555	8778	8034	6270	0	10740	3403	3368	14602	8772	3268	12214	3758	7657	6985	2823	7695	5711	7707	1220	2820	1871	9058	7293	10689	4547	6241	0	8852	8562	4508	6380	3833	5931	3530	4790	4840	9722	5678	7123	12844	18726	22632	27927	3725	6384	0	7520	12884	4308	3586	3959	12700	7264	12993	0	11657	4667	0	6710	9741	Peptide	0.36842105	1.5263158	0.15789473
6	C19 H29 O7 N3	412.20782	412.20844	-0.1905432	412.20773	16787	16227	15437	17050	6811	6825	10123	21553	7900	9873	4667	7236	8665	4337	14721	23540	10894	10853	14470	14570	12713	24829	13161	23395	16871	1960	8968	4428	18164	16479	16776	23306	21564	16868	18752	18310	21494	13192	10822	13040	7669	8431	0	0	0	15980	6720	0	23957	15303	13176	14341	8460	0	14699	4821	5748	26747	8292	6038	18491	9201	10376	10064	3505	7700	10014	14148	2348	7531	3262	17316	15776	17359	10548	14458	0	10076	10570	7515	8474	5555	7714	4734	5466	5878	15011	9378	11950	26820	37315	31636	41556	7375	12958	0	17546	16016	3600	2171	4101	17193	9777	19890	0	20707	5759	0	10423	12196	Peptide	0.36842105	1.5263158	0.15789473
10	C19 H29 O7 N3	412.20782	412.20837	-0.16379765	412.20776	14390	12611	11607	9703	4174	6132	7796	16494	5796	9661	2805	6560	4658	2039	8904	17410	8421	4939	8618	10522	8993	20101	12389	18795	13146	1508	6609	4280	14363	13817	13025	16005	21490	14102	13544	14390	21441	8914	12494	12272	8963	4070	0	0	0	12229	4689	0	18712	11324	12690	10700	5757	0	9440	2118	3822	15120	11834	3627	14988	4407	7078	2951	1813	8409	6573	12358	0	7336	0	13962	14431	13074	5666	12608	0	7156	10682	5647	9361	6399	6152	4297	1961	3677	12711	4113	7955	23881	32802	30911	37083	6586	15287	0	13591	13021	2801	0	2232	18485	7391	16044	0	13511	2820	0	11858	6497	Peptide	0.36842105	1.5263158	0.15789473
14	C19 H29 O7 N3	412.20782	412.20825	-0.14986108	412.20776	7038	6408	5902	6037	1484	2317	4182	9097	1577	0	0	1761	1820	0	6778	5904	2864	0	4018	2532	2149	5184	4360	8063	9374	0	4692	0	10459	5470	3742	0	9187	5292	4637	7220	6272	5329	3432	3874	0	3186	0	0	0	6072	0	0	7946	2829	4114	3152	2852	0	0	0	982	7986	0	0	0	2567	1926	2170	0	2601	1609	5617	0	0	0	6729	7069	9421	4182	3907	0	3931	2499	0	4090	3466	2427	2098	0	0	2844	3074	3386	8764	21562	15127	14739	0	1805	0	3960	3890	0	0	0	6601	4710	5321	0	7705	0	0	3871	2229	Peptide	0.36842105	1.5263158	0.15789473
26	C24 H29 O5 N1	412.21185	412.21225	-0.18090625	412.21176	7437	8569	7902	5752	5108	3727	4586	11655	2101	7538	14160	5133	3785	5019	0	15342	14616	6594	6632	11197	12963	8862	5422	14927	12240	28835	3146	19145	8601	6695	9071	10535	10468	9874	6991	8534	12001	5150	20034	13291	15712	0	0	0	0	5449	8271	0	9983	12129	7925	7837	4667	0	4342	0	3619	12421	3762	3892	12289	7693	3296	4210	2415	5124	7163	18614	23654	17794	25036	7185	7070	0	9938	7867	0	3842	8148	11785	3926	8433	5536	9495	5339	0	12732	5455	5841	19742	9196	8690	23262	8016	5010	0	7834	11506	4404	5370	5285	14523	4464	10722	7511	14297	0	0	8870	3770	Phytochemical	0.20833333	1.2083334	0.041666668
22	C24 H29 O5 N1	412.21185	412.21225	-0.1797783	412.21176	28556	23374	27060	25669	11787	11370	12404	24898	10589	30916	51444	12260	8119	8044	13908	34534	23125	11885	18638	50341	46947	26498	16065	26904	20514	95912	13142	43575	24587	21226	15814	22433	20992	23260	31219	24142	24854	12388	26974	46683	61125	15637	0	0	0	24195	32902	0	16883	15188	20170	24454	12481	0	8245	9022	9231	31818	10330	28430	33042	27727	7603	8373	8875	12464	18661	28683	78144	82933	109297	21250	15360	14219	17492	21767	0	12182	17324	22635	15658	19903	19490	30532	11360	10100	27943	17297	15867	44695	30102	23944	53695	30826	26469	0	25318	25124	9857	9551	7844	28681	9716	25732	17589	30983	11609	0	23648	8680	Phytochemical	0.20833333	1.2083334	0.041666668
12	C24 H29 O5 N1	412.21185	412.21234	-0.2662253	412.21173	5028	3240	3475	5108	2948	3424	2143	3384	1318	8872	13580	2451	0	959	2330	3797	2777	0	3106	26312	26186	0	1824	4376	2844	43763	2583	14356	3229	4787	4902	6150	7210	5624	19279	2645	4832	2322	4258	13974	4800	2260	0	0	0	4338	6990	0	3323	4291	3871	2766	2330	0	0	0	0	2733	0	0	0	2847	0	0	1371	1872	3165	5027	32021	42447	48509	5283	4506	1509	2729	3322	0	1510	1869	0	2675	1238	0	11692	0	1083	0	2034	2220	12733	5971	0	8302	6683	7890	0	5593	4761	0	0	0	1922	2393	0	0	4314	1713	0	3388	0	Phytochemical	0.20833333	1.2083334	0.041666668
20	C24 H29 O5 N1	412.21185	412.21225	-0.21484686	412.21176	21300	19120	21663	18034	9470	6584	10911	13975	6679	33883	37958	12332	3987	9736	10983	26246	23237	7449	15154	42537	44492	15850	6929	22364	12134	86011	14703	31634	9510	14317	10023	13285	17243	10454	24583	14478	19294	10117	26941	35189	41205	12511	0	0	0	17264	21864	0	14029	15347	21988	14765	12634	0	3415	8235	8283	20643	7372	18137	16754	17592	4788	6188	8705	8307	15913	22696	62027	73362	95927	10884	13651	13176	15094	10940	0	8935	19154	26190	10697	9720	11375	18918	7698	6699	21446	13451	12669	37961	30964	21248	34432	17441	21357	0	22307	21189	7743	6789	7543	19437	11482	17081	12644	12745	7846	0	20461	7550	Phytochemical	0.20833333	1.2083334	0.041666668
18	C24 H29 O5 N1	412.21185	412.21225	-0.23942567	412.21176	12630	11929	11283	10377	4300	3238	6612	11609	3844	21568	25567	7151	2102	5020	4801	10148	15571	5020	6524	38104	32427	10351	8867	9946	6270	46689	6898	25169	3983	9782	8327	9189	10888	4635	17943	8306	10756	5071	14760	24406	27050	5617	350	0	0	11408	8993	0	9877	5907	13346	9465	3931	0	2804	2199	3831	14831	3381	10198	10986	12907	3592	1435	4453	2997	8910	15180	39292	53641	54771	6918	7821	3755	10456	7152	0	2849	9265	13810	7630	4273	5881	15900	3381	4091	12576	6027	6045	29275	21616	15149	24641	7722	13906	0	11648	8945	3956	2518	3148	13029	3457	7531	3236	15957	3922	0	9009	2894	Phytochemical	0.20833333	1.2083334	0.041666668
16	C24 H29 O5 N1	412.21185	412.21222	-0.2689857	412.21173	8188	7314	5334	6924	1270	0	3803	4430	2049	17448	16823	3637	0	1673	3664	7559	6040	2542	3283	21470	24527	7293	2564	3394	4062	38079	3044	17546	4542	6040	2544	3886	5013	4935	14169	4043	6361	3761	8742	12429	14006	4241	0	0	0	3956	7570	0	4136	5369	9198	6204	2162	0	0	0	2795	7012	0	6725	0	5290	1647	2808	1901	0	4104	9115	27054	39843	54055	3455	2683	2582	8070	4781	0	2821	5605	9342	3677	1709	2396	11043	1451	2188	6300	4450	2865	0	9995	4236	0	4711	10153	0	6619	4577	2434	0	1260	9466	1531	2566	0	0	2282	0	7262	2130	Phytochemical	0.20833333	1.2083334	0.041666668
28	C24 H29 O5 N1	412.21185	412.21222	-0.19848275	412.21176	13875	14633	11330	12216	5155	2311	15079	13296	2808	1255	4424	7780	0	11868	9600	40427	50680	3244	5694	0	0	12431	19978	47061	20163	0	5376	3326	13995	17368	13561	17784	40266	15421	1699	10986	20940	10589	54347	1557	1921	13791	0	0	0	2686	0	0	19013	10057	13825	14360	12957	0	2887	1882	3955	45251	0	3129	38013	1400	933	4076	2726	6102	13895	58878	6135	2684	5306	6744	9081	5738	16848	11711	0	7998	23649	0	22570	1381	2907	1012	4022	3162	36055	16976	20060	71753	7471	3979	40169	2442	2344	0	14295	13946	3575	3642	4361	44005	7632	4146	0	46729	2333	0	28874	2422	Phytochemical	0.20833333	1.2083334	0.041666668
10	C24 H29 O5 N1	412.21185	412.21237	-0.16845505	412.2118	6703	4261	5216	3956	1649	3070	2820	6381	1424	14697	15442	3363	1359	2869	2992	5099	4851	1373	3492	27063	20336	2248	2127	5848	2121	36101	3179	10699	5578	5527	5550	5715	8287	5693	17013	6393	6961	2375	2487	11992	2055	1661	0	0	0	5448	4870	0	6626	3713	5371	4959	1376	0	0	0	1404	5000	0	0	0	3868	0	0	758	1749	3032	6762	19136	32145	25393	6861	5149	4391	5723	4071	0	1795	2770	0	2886	0	0	7833	0	703	3650	2558	1941	9985	0	0	8548	6407	14689	0	5343	5047	0	0	0	3730	4471	3175	0	3949	0	0	2029	1285	Phytochemical	0.20833333	1.2083334	0.041666668
24	C24 H29 O5 N1	412.21185	412.21225	-0.1822248	412.21176	19529	18566	19288	20928	12229	10371	7607	18463	9011	24055	41615	9791	6902	11067	11100	25950	16108	13058	17500	33481	41175	25099	14048	19387	12611	78519	7583	44706	14436	15889	16874	18267	15462	19453	22428	15046	23692	8217	13486	31263	42216	13460	0	0	0	23220	25212	0	16557	12906	17673	19889	14400	0	9075	6911	6474	24696	12013	12340	23197	21459	8170	7721	5971	14842	16742	16557	73025	51796	79507	13946	16084	13536	8600	16388	0	10696	14012	21219	10945	16431	10007	31573	12260	5954	15164	13353	15280	31166	21396	22814	38353	23475	20863	0	17646	21637	7690	10767	7046	19752	7991	21308	15711	23895	9520	0	17378	7955	Phytochemical	0.20833333	1.2083334	0.041666668
6	C17 H33 O10 N1	412.2177	412.21875	0.14198662	412.21777	2869	2534	0	2185	17843	3667	0	2043	6433	0	0	948	10552	31917	2744	3800	0	0	3665	0	0	927	1744	2981	4730	0	0	5172	2319	1112	2126	2636	2491	2384	735	1691	3188	2208	1273	0	0	7984	0	0	0	0	0	0	2765	1091	3996	3217	10271	0	6783	3934	8890	2090	0	0	2329	0	2166	0	6110	13337	25321	2653	0	0	0	0	1290	1888	1633	2140	0	1146	4489	11003	1616	0	443	0	20988	4381	7794	2244	1452	5498	19932	6092	6327	2383	0	0	2523	0	2367	2597	2288	2475	1556	0	0	2811	13764	0	2807	3750	Lipid	0.5882353	1.9411764	0.05882353
4	C17 H33 O10 N1	412.2177	412.21844	0.18108888	412.2178	0	1633	929	0	2191	2371	0	1227	1071	0	0	822	1345	0	1180	1395	1825	1130	529	0	0	1570	1350	1877	1313	0	0	4679	858	0	1232	2201	730	0	1791	603	1764	832	1308	0	0	600	0	0	0	0	0	0	0	0	1269	1147	0	0	1853	633	0	1593	0	0	773	0	2179	738	0	1274	796	1129	0	0	0	1158	724	866	0	706	0	1162	780	11029	0	0	0	0	3938	819	1217	817	714	1692	25998	13297	2692	2272	0	0	1425	975	1170	1185	1760	1767	1110	0	0	1516	2021	0	1130	2380	Lipid	0.5882353	1.9411764	0.05882353
14	C21 H33 O7 N1	412.23297	412.23346	-0.22394104	412.23288	44164	42531	39803	44596	24802	19925	42509	70739	26765	30775	20630	34213	31039	16481	47633	66340	71408	32403	42544	47132	56176	48330	45939	67881	44900	45686	33786	31152	62013	132924	52620	58926	57381	40244	50163	67077	49083	40071	65482	38405	32907	28665	0	0	0	48729	49041	0	55735	63580	38681	37894	24991	0	37621	31435	17155	61847	21941	41278	62911	21782	28197	23906	17599	24281	27707	62403	35821	41730	40241	43417	49347	60642	65452	51802	0	38786	49756	30964	39375	24710	27096	25899	33073	28156	46017	17717	25029	77810	56431	42575	74134	26905	41176	477	34768	46014	21575	32914	40583	66482	38390	73313	0	43667	27243	0	41475	25044	Lipid	0.33333334	1.5714285	0.04761905
6	C21 H33 O7 N1	412.23297	412.2336	-0.1721978	412.2329	14813	14305	12859	14314	5524	6604	10912	20266	4847	12298	6948	8645	4903	3364	13247	19491	11267	5772	8853	17795	16694	19758	10817	17575	13755	7664	8932	6331	19018	18146	18302	20324	21020	15345	20082	22642	21766	9406	13129	11406	9065	7599	0	0	0	12596	11276	0	21283	16481	12334	12805	6663	0	7418	2966	2289	28621	3183	2604	22772	6919	4986	3927	2207	5483	6969	18515	4968	11636	8236	11638	14906	19651	10063	14164	0	10905	8276	5122	8258	3813	4796	8661	2654	5375	12645	5306	8929	17118	26223	20767	23360	9963	17629	0	15881	15076	3355	3670	3275	18373	9016	21033	0	16637	3383	0	10336	6684	Lipid	0.33333334	1.5714285	0.04761905
10	C21 H33 O7 N1	412.23297	412.2335	-0.2216093	412.23288	24447	22036	20799	24376	9003	8546	20931	35481	6584	25218	12383	18378	10129	5756	21889	28706	19227	10088	16938	35653	32214	29139	16164	27154	17578	12635	14385	12519	30122	29974	27149	34141	36188	27157	36040	29018	38942	13813	21621	28732	13720	10605	0	0	0	23188	15672	0	33751	31583	26025	25141	7457	0	11209	6828	5257	32129	4170	8481	22692	8718	10439	7579	2946	9974	12140	26352	8340	19593	15834	28970	23725	30940	21897	27702	0	18124	17776	14358	16088	10083	8404	12259	10301	6597	16411	7415	9800	27164	49818	33953	38274	14270	22145	0	24529	20786	5994	5989	6876	27386	15192	27798	0	25219	7756	0	16300	9507	Lipid	0.33333334	1.5714285	0.04761905
26	C21 H33 O7 N1	412.23297	412.23343	-0.17078595	412.2329	18610	17087	19254	18518	24608	11863	7887	49776	18373	24259	10525	8402	40512	21450	8543	15135	9611	27067	31013	29568	24201	15969	13416	18844	10910	23943	4801	11181	22378	12968	15811	13701	17549	16603	25144	19200	16204	10542	11518	15658	15291	8393	0	0	0	16423	12724	0	27602	38705	18942	12798	18778	0	28975	19193	10824	20062	9046	5852	17914	12896	31117	17928	6436	26127	14302	10704	26603	42475	40067	17412	18788	18319	10457	15512	0	10019	15096	7982	11819	7129	9655	10882	19278	6508	16552	14892	15017	17269	15892	16842	22228	6220	13207	0	17330	21608	11572	16813	16447	17082	8168	14751	7900	14682	12087	0	13005	25226	Lipid	0.33333334	1.5714285	0.04761905
12	C21 H33 O7 N1	412.23297	412.2335	-0.17664118	412.2329	21005	18864	23161	22826	11870	12157	28235	44190	10500	21840	10750	19416	10570	7810	24348	29509	35082	18256	21549	33786	31612	21214	23774	27689	26180	19716	15603	11781	41312	31423	33786	27950	36846	25112	28831	31293	27595	23930	37384	20860	14999	13911	418	0	0	26497	25613	0	31211	27383	17020	15457	10074	0	18744	9946	8814	30304	10908	13112	19923	17163	10968	11907	7812	12813	16453	38618	0	27782	19995	22646	24265	28032	21658	25649	0	22983	22491	0	19398	13427	14099	14355	11956	11300	24957	8486	16183	51419	30197	27124	36320	16987	16887	0	20165	29870	6473	11190	12892	23670	18273	18823	0	31284	11272	0	20705	14755	Lipid	0.33333334	1.5714285	0.04761905
24	C25 H33 O4 N1	412.24823	412.2486	-0.24254538	412.24814	11207	10140	7662	9456	3759	4031	3018	6813	1902	8916	17114	3491	2120	4540	3618	12862	12806	3852	2563	8656	9420	5317	4798	10077	7673	31197	4783	14635	8742	9773	5391	8978	7056	8373	6347	10910	7288	4719	11211	9010	15636	6497	0	0	0	7795	10109	0	9071	9121	8640	8029	4402	0	2101	2666	3442	13191	3506	9176	14286	5824	2229	2204	1571	4153	7658	15252	27756	18898	26681	6952	6139	10391	6121	7104	0	5139	7758	11256	7258	7471	5569	12462	0	0	14241	5368	7038	41777	9312	7292	20626	9050	8184	0	6639	9448	3963	4906	3069	10556	3738	7751	3788	10255	2587	0	8877	1825	Lipid	0.16	1.32	0.04
22	C25 H33 O4 N1	412.24823	412.24863	-0.25419995	412.24814	3300	3149	3992	5037	1614	1912	2846	6348	0	3673	9396	3783	0	0	2417	5276	12909	0	1752	5485	6452	3399	3451	2886	2619	21114	3660	9510	6380	7470	0	6396	7197	3800	3895	6631	6445	2126	11744	3148	12321	2363	0	0	0	3248	4819	0	7386	8221	3814	4286	2883	0	0	0	3450	3554	1672	9072	5949	4098	1522	0	0	2412	2887	10342	11573	10306	19185	4662	5115	3272	6923	6415	0	2629	6768	6940	4760	4120	3218	4938	1528	2364	6243	3149	1356	19854	6824	0	13504	4651	5045	0	3517	3522	1732	1803	0	7836	3575	5182	3611	6952	1411	0	6265	0	Lipid	0.16	1.32	0.04
18	C25 H33 O4 N1	412.24823	412.2487	-0.27547568	412.2481	4208	3435	2996	2066	0	0	2223	8213	0	0	2767	3020	0	950	2552	3818	13700	0	0	4244	2504	0	1825	3772	0	9997	3084	4885	5219	9489	7875	12406	5233	7704	0	10628	7916	2057	12043	0	0	1440	0	0	0	0	2512	0	6260	11970	3512	2528	0	0	0	0	0	5421	2735	1559	2053	0	0	0	0	0	1580	14940	6531	2292	6898	8761	14345	31597	6175	7141	0	2469	2073	2029	1234	0	0	2351	0	0	0	1435	1572	9302	0	0	0	0	0	0	3665	2658	0	0	0	11506	0	4604	2963	4986	0	0	0	0	Lipid	0.16	1.32	0.04
26	C25 H33 O4 N1	412.24823	412.24854	-0.19271827	412.24817	7149	7900	6291	5244	3684	0	3297	7461	3283	2428	9458	0	0	2080	0	9963	10768	0	4140	7433	5082	7055	0	6857	6647	20477	2616	9903	5436	6265	6814	4324	6756	5949	3808	10859	4258	4488	6148	7602	9328	7794	0	0	0	0	0	0	7220	0	6417	5064	3655	0	0	0	0	8447	4693	6479	11648	3818	0	0	0	3773	5129	11172	25288	9041	15824	3313	4450	0	0	8860	0	4435	11023	7349	3043	3554	5343	8125	0	0	18346	3480	3843	31821	7252	9319	17250	9595	0	0	3742	5816	3150	3920	4950	12410	3050	7906	0	5756	0	0	9844	0	Lipid	0.16	1.32	0.04
20	C18 H37 O9 N1	412.25412	412.25455	-0.267689	412.254	4142	2984	4357	3399	10052	10536	2162	0	3615	0	0	0	4676	14545	0	0	4423	0	4837	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3560	0	0	41382	1619	1449	446	0	0	1318	0	0	3683	3032	19370	1396	19613	0	43354	0	0	0	0	0	2847	30649	117493	59670	115603	8853	0	0	0	0	0	0	0	0	449	0	0	1873	0	0	0	0	12861	25336	0	5364	4582	0	0	0	0	0	0	1474	3647	4233	29522	0	2083	0	0	0	5006	0	10343	1487	0	0	Lipid	0.5	2.0555556	0.055555556
16	C18 H37 O9 N1	412.25412	412.25464	-0.11052773	412.25406	0	2559	2401	0	0	0	0	0	0	0	2681	0	0	0	0	0	1598	0	0	0	0	0	0	0	0	0	3816	4355	0	0	0	0	0	1240	0	0	0	1121	0	0	4897	0	1813	2366	1177	0	3776	2165	0	0	0	0	0	1923	0	0	1421	2187	2209	2248	6383	1661	0	0	43902	3306	0	1286	3202	0	2645	0	0	0	0	0	1904	997	0	8149	0	0	0	0	1640	17848	0	0	0	0	0	0	0	0	2020	1086	1998	0	1186	0	0	0	0	0	64335	0	0	2054	0	1980	Lipid	0.5	2.0555556	0.055555556
8	C22 H37 O6 N1	412.26938	412.26984	-0.23435187	412.26926	2859	3810	2344	2697	0	0	3533	5556	0	0	1458	2672	0	0	3452	6805	3900	0	0	928	3496	1743	2272	3575	8443	0	3039	0	3841	2664	5098	4456	6074	4141	1967	4244	3749	1757	5558	0	0	0	0	0	0	0	0	0	6450	3500	2016	3667	0	0	0	0	464	7278	0	0	6417	0	0	0	0	0	0	5372	0	0	0	5253	1968	4921	2096	3714	0	3717	3498	0	1339	0	0	0	0	0	37826	0	887	31233	21150	0	3656	2127	2250	0	1432	2133	0	0	0	4342	2165	3127	0	5463	0	0	6835	808	Lipid	0.27272728	1.6818181	0.045454547
16	C22 H37 O6 N1	412.26938	412.2697	-0.16672647	412.2693	2325	4304	5895	2410	0	0	3387	3959	0	0	0	3033	0	0	1878	4964	6149	0	2888	0	0	2339	1604	4763	2034	0	1873	1970	3340	4081	3377	6093	4561	3458	3923	6069	3729	2583	4336	0	0	1326	0	0	0	0	0	0	4521	2609	4134	4336	0	0	0	0	0	7710	0	1585	0	0	0	0	0	0	1323	3623	0	0	0	0	4186	7138	6076	3394	0	0	2323	0	1135	0	1143	0	0	1050	5804	0	1739	116637	13251	0	36625	0	0	0	2574	5602	0	2530	1492	4933	1572	1732	0	0	0	0	3053	0	Lipid	0.27272728	1.6818181	0.045454547
26	C22 H37 O6 N1	412.26938	412.26978	-0.20514685	412.2693	29138	16999	22807	24658	39425	18580	20676	23290	25834	18681	18604	7873	37773	20924	21853	15942	17910	37109	61989	26262	26341	20528	10565	13008	25312	14808	19957	26773	37847	21238	18570	27341	37986	24801	27420	32474	38627	25409	20796	24829	11798	25906	0	0	0	16598	0	0	23721	13415	23601	20490	30936	0	44652	29908	21256	24925	23661	7191	21881	15167	29250	26246	20433	36267	49894	21033	13937	25492	17416	18149	23881	25648	10470	21196	0	12520	17828	20696	8606	11638	19816	17438	20723	28332	21954	14062	24614	16094	45858	51685	17828	13979	16005	0	21994	22864	18711	23215	26586	36841	10673	25272	26271	17495	28370	0	14245	24708	Lipid	0.27272728	1.6818181	0.045454547
20	C22 H37 O6 N1	412.26938	412.2698	-0.17022036	412.2693	15265	14573	14965	14923	9924	7321	27108	22722	8904	5577	5571	11748	8598	10033	16670	20625	31939	12786	26899	8598	5140	7157	10754	12765	15664	12984	26751	7547	20016	15628	8893	20241	18939	12218	4341	24332	21130	8537	28471	7493	9514	15050	0	0	0	5480	10202	0	17738	13324	13374	13162	9737	0	14793	11843	8238	19774	7385	8888	18826	4921	15545	11563	13082	16724	16361	30068	6025	6800	9751	8940	16855	18099	33727	14036	0	7081	16666	17231	9104	4286	25725	13548	18042	13661	20579	9887	10632	27794	32905	21468	18194	3578	8918	0	10743	12987	8084	15268	19188	24090	10011	17955	5984	15622	10139	0	16310	8727	Lipid	0.27272728	1.6818181	0.045454547
10	C22 H37 O6 N1	412.26938	412.2698	-0.16478157	412.2693	5032	3437	6169	4919	0	0	5008	15920	0	0	2572	7978	0	0	4405	10570	5727	0	1202	1528	2961	2203	1848	2234	7708	0	3465	0	7758	11960	12317	5732	5001	4483	2795	7815	7062	4320	5912	0	0	1077	0	0	0	0	0	0	12057	15941	3086	3272	1509	0	0	0	0	12544	0	0	9426	0	0	0	928	0	0	4023	0	1467	0	8681	7503	15862	4441	6328	0	8095	4065	0	1586	0	0	0	0	849	41573	0	909	35037	16493	2548	6865	0	1434	0	4319	5093	0	0	0	5359	9860	0	0	3868	0	0	5691	0	Lipid	0.27272728	1.6818181	0.045454547
12	C22 H37 O6 N1	412.26938	412.26978	-0.1744311	412.2693	3343	2230	2525	1624	0	18022	2287	5780	0	0	0	1433	0	0	3944	2608	2617	0	0	2352	1285	0	2389	2787	4121	0	1296	0	8083	3673	7670	4290	5253	3073	0	5978	4454	2805	4140	1520	0	0	0	0	0	1700	0	0	8181	5450	1876	2394	0	0	0	0	0	7230	0	0	0	0	0	0	0	0	0	4402	0	1228	0	5307	4225	4115	4670	3594	0	4505	1453	0	1051	0	0	0	0	0	23470	0	1735	41881	12383	2424	10367	0	0	0	2247	2620	0	0	0	4862	2406	0	0	3143	0	0	5835	0	Lipid	0.27272728	1.6818181	0.045454547
18	C22 H37 O6 N1	412.26938	412.26978	-0.15253669	412.2693	3206	5156	4106	6245	1584	2714	9233	7693	2435	0	2263	2910	2727	2569	4114	9523	13521	3261	3513	2270	3490	1864	4739	5977	4194	0	3852	2014	6841	7310	6205	6944	12810	5072	0	7402	5647	2547	8482	0	1820	3041	0	0	0	4062	3772	0	7569	9572	4940	4520	3016	0	3918	3419	1553	6172	0	2816	5305	0	0	0	3182	4218	4686	16048	0	0	0	2999	2575	9136	11296	6010	0	3149	5881	4061	3382	2261	2945	2143	4101	3698	4835	3185	4466	45140	13787	5631	8571	1973	2725	0	5809	3421	3137	4139	4380	7576	3915	3618	1791	7186	4287	0	5618	2167	Lipid	0.27272728	1.6818181	0.045454547
22	C22 H37 O6 N1	412.26938	412.26974	-0.2265265	412.26926	40450	39769	36545	41640	27643	23851	73384	36613	31348	30351	13944	23117	33432	28842	35363	51925	57737	53435	54279	36647	36507	30862	25663	28620	36755	31413	58841	23777	51808	48440	29129	42437	62335	41092	26166	57011	57256	28797	46131	18326	29547	34958	0	0	0	25726	20964	0	34834	33333	32879	34618	38305	665	46515	32207	20673	48974	22528	22112	52029	15368	39425	28850	21308	51049	47576	44476	23350	25458	27415	25263	32005	38769	48432	34896	0	24685	36152	33886	21945	19682	51611	36342	38133	31915	49098	28592	35255	60014	70513	61145	51428	22982	31321	0	36263	45098	22266	32745	35064	65171	20903	39424	25789	37994	26535	0	33955	36191	Lipid	0.27272728	1.6818181	0.045454547
10	C26 H37 O3 N1	412.2846	412.28488	-0.12530647	412.28458	0	0	0	1535	0	0	0	0	0	0	0	0	0	0	0	9100	0	0	0	0	0	0	0	3287	1546	0	891	0	0	0	25286	2522	2668	3841	0	0	4124	0	0	0	0	0	0	0	0	0	0	0	4913	0	999	0	0	0	0	0	0	8324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	829	15575	0	0	34603	0	0	0	1407	1514	0	0	0	5920	0	0	0	22911	0	0	0	0	Lipid	0.115384616	1.4230769	0.038461536
8	C26 H37 O3 N1	412.2846	412.2849	-0.23987259	412.28452	2316	2005	1510	3957	0	0	0	990	0	0	0	0	0	0	0	8994	0	0	0	0	0	0	0	2983	2503	0	2537	0	0	0	40750	3444	2504	4613	0	0	3180	689	0	0	0	0	0	0	0	0	0	0	10521	0	3085	1477	0	0	0	0	0	12693	0	0	10928	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	969	31076	0	0	42355	0	0	0	2042	2240	0	0	0	12790	788	0	0	33678	0	0	0	0	Lipid	0.115384616	1.4230769	0.038461536
16	C26 H37 O3 N1	412.2846	412.285	-0.08338982	412.28458	62155	70901	68152	68073	0	2674	11025	0	0	0	0	0	0	0	0	28605	0	8313	73868	0	0	0	0	6862	5035	0	6100	0	3137	4538	340353	52997	1075905	29539	0	3181	765206	0	7207	0	0	4983	0	0	0	0	0	0	54240	1733	60496	66841	0	0	0	0	1394	642896	0	0	74886	0	0	0	0	0	0	214711	0	0	1873	10564	5186	1841	5493	1817	0	1826	0	0	1093	0	0	0	0	0	1809	41309	46226	624641	0	0	39091	0	0	521	51940	53179	0	0	0	548820	3383	0	0	398404	0	368	8624	0	Lipid	0.115384616	1.4230769	0.038461536
14	C26 H37 O3 N1	412.2846	412.2851	-0.110497124	412.28458	7976	3934	12427	4223	0	20515	13580	36439	0	0	0	4631	0	0	2820	889979	39550	0	3036	0	0	0	1424	50633	234758	0	7828	0	54397	6586	696649	12183	75916	53674	0	12848	345978	2430	3083	0	0	22041	0	0	0	0	0	0	52620	29903	10128	3028	0	712	0	0	3841	56095	0	0	571147	0	0	0	0	0	1948	11159	0	0	0	29647	19634	5126	11712	3124	0	5778	0	0	1483	0	0	0	0	0	0	3910	4234	45260	0	0	648988	0	0	0	20316	27338	0	0	0	891627	2161	0	0	1458858	0	973	5425	0	Lipid	0.115384616	1.4230769	0.038461536
20	C19 H41 O8 N1	412.2905	412.29086	-0.11512639	412.29044	4824	0	4552	5462	2649	6332	0	0	3360	0	0	0	21091	23403	1433	0	0	0	0	0	0	0	0	0	4461	0	0	5821	1419	0	0	0	0	0	0	0	0	0	0	0	0	7660	8070	0	0	0	0	0	0	0	3318	5832	3743	1619	10792	0	15592	0	0	0	0	0	4854	6242	55117	160351	344345	0	0	2478	0	0	0	0	0	0	0	0	0	4970	0	9847	0	0	1367	11090	0	3346	1236	0	9118	2532	0	0	0	0	5109	3603	5471	0	1857	0	0	0	9262	0	2644	0	0	2135	Lipid	0.42105263	2.1578948	0.05263158
14	C23 H41 O5 N1	412.30576	412.30612	-0.20351906	412.30566	0	0	0	0	0	0	16091	2264	0	0	0	3544	0	0	0	3230	3743	0	0	0	0	0	0	0	0	0	29710	0	6268	6045	2636	0	1672	2597	0	4065	2911	0	1628	0	0	0	0	0	0	0	0	0	7411	2119	0	0	0	0	0	0	0	2869	0	0	0	0	0	0	813	0	0	5698	0	0	0	1801	3731	1449	6084	3630	0	1206	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2622	0	0	0	0	0	0	Lipid	0.2173913	1.7826087	0.04347826
26	C23 H41 O5 N1	412.30576	412.30597	-0.2261555	412.30566	3777	0	3758	1934	0	4322	36331	0	0	0	4022	0	0	7023	0	0	0	0	0	0	0	2215	0	0	6599	0	30859	11232	5144	5713	3716	7692	5241	3290	1869	7277	4789	5756	3403	0	0	18191	0	0	0	0	0	0	5852	0	3715	4743	2652	0	0	0	0	5587	2829	3204	0	0	3010	0	4345	7841	10363	3367	0	0	0	0	4421	0	0	6296	0	0	1970	5498	0	7766	10910	5005	0	0	5829	0	3460	1916	12096	8507	0	2797	0	0	3503	0	0	0	5018	6801	0	0	7782	2067	0	0	0	1889	Lipid	0.2173913	1.7826087	0.04347826
24	C23 H41 O5 N1	412.30576	412.306	-0.16627508	412.3057	2402	1387	1970	1432	0	2986	40823	0	1301	1458	2205	1114	0	4871	1884	3493	2118	0	1950	0	0	0	0	0	0	1414	37892	5289	2166	1990	1188	1930	1748	1165	0	2914	1332	1716	2500	0	1432	3946	0	0	0	0	0	0	5793	4526	2522	1588	1388	0	0	1262	0	4472	0	3010	4221	0	0	0	1746	5216	5615	2849	0	1379	0	1702	938	1280	2116	4083	0	1001	0	5783	0	1599	9968	5750	0	0	2809	2203	908	5319	8735	7149	1876	0	0	0	1876	3495	1652	0	0	0	0	1585	0	1085	0	0	2173	1787	Lipid	0.2173913	1.7826087	0.04347826
26	C24 H45 O4 N1	412.34213	412.3422	-0.12884425	412.34207	0	0	0	0	0	0	26207	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4466	0	0	0	0	0	0	0	5712	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2354	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3451	18536	0	0	0	0	0	5933	0	0	0	Lipid	0.16666667	1.875	0.041666668
18	C20 H12 O10	413.05032	413.0508	-0.059877813	413.0503	11597	8454	9339	9928	17644	8234	2960	0	21091	9384	4568	1959	34691	9359	2124	6497	1977	25165	29227	6209	5272	21698	6907	3633	2048	0	3177	0	0	0	0	0	5269	0	10443	2384	6199	4736	1915	4879	6531	8383	599	0	0	5062	10514	499	0	0	7525	14005	11798	0	19970	23832	9206	4422	2971	3247	2866	7777	37858	20089	9842	26737	10459	3519	2424	2629	5105	2536	0	0	0	0	0	2809	18831	13602	10390	5922	2101	2778	30008	14249	14969	10641	8022	5380	2823	4675	3278	31490	24842	0	9847	7161	18940	31534	19390	4197	2281	3443	3465	2366	15325	0	3031	29422	Phytochemical	0.5	0.6	0.0
26	C20 H12 O10	413.05032	413.05063	-0.23400868	413.05023	7964	7413	6277	6286	15300	8035	1742	0	15537	5758	0	3009	24246	10436	0	0	0	23522	20253	0	0	7977	6503	0	0	0	3184	0	0	0	2612	0	3652	0	5205	0	5212	6287	3438	0	0	0	0	0	0	0	0	0	0	0	8913	7182	9800	0	14269	15683	7743	3238	2643	0	0	0	31185	16252	6065	17366	8325	2335	0	0	3238	0	0	0	0	0	0	4003	15261	6337	13509	0	0	0	20058	10460	7952	6620	7594	5553	1748	1590	0	9842	13941	0	8835	8271	10565	15789	13718	0	0	0	0	2167	8298	0	5026	26753	Phytochemical	0.5	0.6	0.0
16	C20 H12 O10	413.05032	413.05093	0.009422773	413.05032	5434	9862	7049	8153	13601	6178	2279	0	14518	11699	7666	1759	22399	6108	1844	1730	2107	17276	19452	8549	8235	30006	4219	0	0	1385	1258	0	0	0	0	0	4366	0	18184	0	0	5153	2704	4443	10014	4848	0	0	0	6965	7729	0	0	0	8504	6276	7389	0	8196	13885	3568	0	0	0	0	4733	33919	17328	5315	20858	3219	1784	0	2433	1564	0	0	0	1878	0	332	0	7702	15679	5248	4201	1129	2262	18912	7898	5685	6439	7810	0	0	3961	0	29874	18322	0	6421	6344	14661	16442	20284	1678	1979	0	4416	0	14823	0	2347	18474	Phytochemical	0.5	0.6	0.0
24	C20 H12 O10	413.05032	413.05072	-0.112901755	413.05026	6571	6277	8249	5581	13910	9746	2321	2611	17795	3969	1777	4708	25998	6152	5061	5622	3905	27549	23937	2331	3093	10683	7834	5414	4375	0	3686	0	0	1215	1397	0	5227	1989	7138	1185	3126	6149	2868	1621	4651	4279	0	0	0	3127	3645	0	1939	1716	8212	6366	12703	0	17802	14294	9197	6975	1648	1791	4277	2114	30567	19986	7674	16571	7146	4940	0	1511	3303	0	0	0	2069	1144	0	3741	18494	6805	15634	1601	1927	1768	19901	8929	7645	7603	8231	6514	2665	0	6549	10314	16752	0	6709	7186	9300	17080	23002	3320	1769	2411	1637	2719	13202	0	6108	27452	Phytochemical	0.5	0.6	0.0
14	C20 H12 O10	413.05032	413.05087	-0.07351245	413.0503	3527	4067	4758	2803	7261	2732	0	0	11868	7721	4308	0	11456	2008	0	0	0	5987	7288	3258	8310	18180	1225	0	0	0	1698	0	0	0	0	0	0	0	11079	0	0	0	0	1852	0	3297	0	0	0	2324	12300	0	0	0	2294	3500	5598	0	6561	7917	5592	2920	0	0	0	0	16532	10645	2568	9007	3391	0	0	0	0	0	0	0	0	0	0	0	2474	0	3294	3356	0	0	10751	2982	2884	1936	2129	0	0	0	0	22515	14690	0	1911	1963	10222	13958	13561	0	0	0	0	0	6561	0	0	13649	Phytochemical	0.5	0.6	0.0
28	C20 H12 O10	413.05032	413.05066	-0.1747275	413.05026	8418	7409	7084	7653	12999	6338	2936	0	13310	4678	0	2040	24564	9484	3308	3423	0	20560	20373	3135	2593	9744	4775	4095	3165	0	3489	0	0	0	1466	1008	3380	2050	6521	0	2803	3760	3097	1765	5093	3191	0	0	0	3991	4882	0	1107	0	7478	6701	10834	0	16682	9209	4883	2962	2407	2723	2735	1864	25161	14883	5319	19907	5087	2857	0	1548	2371	0	0	0	0	1193	0	1923	15894	5133	11514	1919	1455	1138	19635	10028	10034	6565	5934	3193	2578	2790	3874	9460	11438	0	7431	6895	8523	16295	17465	4083	2460	0	2974	3109	9846	0	5034	25736	Phytochemical	0.5	0.6	0.0
20	C20 H12 O10	413.05032	413.05078	-0.08139376	413.0503	12260	22044	21994	14298	46774	23112	10750	9038	48096	11600	10938	9184	60128	18232	14226	11774	14106	62234	61114	12232	17070	39990	19068	13712	13358	0	11908	5790	8416	5270	4518	4794	11072	3938	19044	4678	15548	12892	10678	11496	10744	21148	1174	0	0	10058	24312	2058	0	3022	24198	23886	32922	0	45704	49622	26674	13568	7524	7010	18742	9816	68444	55036	25376	65040	25466	8188	5636	7746	6522	4992	4622	0	6038	7296	0	3236	40064	31550	35080	13154	9038	0	61950	33932	26158	25472	27612	17790	4678	8112	17016	40176	29628	0	24164	16634	42496	59566	55616	15994	7330	10186	10350	6432	43026	0	14850	58994	Phytochemical	0.5	0.6	0.0
22	C20 H12 O10	413.05032	413.05078	-0.09291601	413.0503	10210	8485	9332	11110	19991	11237	2513	2943	28042	5880	1775	5646	29974	14546	6189	5352	8313	33738	25895	3841	4141	14236	7863	5451	5746	0	5677	0	4288	1776	3036	0	6395	2665	3273	1827	4471	6786	5992	2221	4226	5295	0	0	330	4318	4840	0	4471	4441	10601	8604	14450	364	19495	18034	11581	6516	1931	3987	3572	3000	30393	18602	7401	22518	10288	5808	1990	4451	2920	2170	2676	0	4167	1999	492	4311	19984	8316	16439	4056	1489	1852	27511	15483	14005	10712	13894	12745	2962	2907	8588	16326	15454	0	10410	8470	15805	24294	23601	6834	4553	5101	2527	7386	16922	0	5744	26391	Phytochemical	0.5	0.6	0.0
14	C17 H16 O10 S1	413.05368	413.05432	-0.04354486	413.05368	3588	2371	3180	3679	5092	3238	0	0	4296	13361	7360	0	12229	1546	0	0	0	8843	4370	0	5593	17227	0	0	0	1811	0	0	0	0	0	0	0	0	13085	0	0	1085	0	3969	7532	2361	0	0	0	1985	0	0	0	0	3878	3281	2693	0	3046	4667	2308	0	0	0	0	3378	0	5709	2202	5283	1782	0	0	0	2856	0	1034	0	0	0	0	0	1897	0	0	2851	0	1677	4431	0	0	0	2447	0	0	3968	0	29674	17173	0	2435	4570	3318	4502	2744	0	0	0	0	0	3376	0	1430	6175	Organosulfur	0.5882353	0.9411765	0.0
16	C17 H16 O12	413.07144	413.07205	0.07614006	413.07147	11258	13905	9393	9325	39381	24347	0	0	53756	3860	7967	6009	81348	16217	5447	3258	3097	43694	38533	3293	8949	12432	12156	2571	2094	0	2080	0	2439	0	3336	0	4210	0	6939	0	5348	5736	2812	5033	4433	9709	445	0	0	2832	16481	0	1560	2956	13645	14533	25738	0	42667	40904	14772	3378	3922	5132	0	6804	81084	53359	11364	52943	16671	2580	0	0	4569	1598	0	1325	1734	2259	0	6132	10325	6250	6970	7100	0	1292	41302	15412	7271	11940	13564	0	3908	5125	0	12799	4399	0	11318	11865	32090	39983	40919	4955	7894	0	6982	0	24532	0	0	100305	Phytochemical	0.7058824	0.9411765	0.0
8	C17 H16 O12	413.07144	413.07208	0.02957721	413.07147	7315	9916	4683	10579	23313	6162	0	1858	26296	4519	5888	3783	41002	4482	2311	2191	2025	17434	18774	3548	5281	7674	4608	2334	0	519	1640	0	0	0	1168	991	4020	915	5436	0	2264	3379	1701	1898	4718	5434	0	0	0	2127	3981	0	1617	1957	11506	8375	11888	0	25184	29040	7678	3578	1527	2094	0	0	54376	30065	7891	26752	7734	2358	0	0	0	1414	1082	1025	0	865	0	1875	6068	0	4288	1600	0	0	28445	5200	4509	9089	8986	3493	0	0	3191	12260	7052	0	6641	5242	25219	45621	36724	2307	2604	0	0	3234	20256	0	1627	48007	Phytochemical	0.7058824	0.9411765	0.0
12	C17 H16 O12	413.07144	413.07205	-0.013302977	413.07144	20868	27683	22694	24411	56348	25816	3224	4359	73925	8106	23638	12961	107054	18070	9454	6039	10995	58639	59675	6988	18276	33471	21808	7001	2866	0	2803	0	3391	3136	3235	4858	14124	4378	14556	3812	8096	10140	6099	4183	14094	21796	0	0	0	5520	16931	0	2651	5712	25655	25393	33437	0	66659	68036	25456	4377	0	0	0	9622	149558	78221	21262	82072	23169	7345	0	0	0	4295	1666	2376	5038	3365	0	9258	18725	20677	18064	5791	1738	1496	70466	19581	17317	24534	20056	16220	0	3502	10418	39243	10064	0	24545	24857	63032	85198	63542	14714	13124	4078	0	9564	49930	0	1518	134737	Phytochemical	0.7058824	0.9411765	0.0
10	C17 H16 O12	413.07144	413.0721	0.011668675	413.07147	16384	18317	14562	14888	45989	14565	2789	1295	47040	6400	13515	8999	74080	11225	6377	5305	6359	43794	44226	4938	13822	23884	13370	4370	0	0	2886	0	3205	2244	2447	1435	6486	2309	11414	1692	5544	6540	4894	2875	10508	17088	0	0	0	4499	14277	0	2456	3103	17611	19793	26128	0	43071	47262	20467	6394	2185	5446	0	4158	94300	57647	22809	54799	15438	6798	0	0	3525	2733	2046	1741	4855	1101	0	3972	15982	8812	10995	4551	1145	0	55130	13055	10461	19131	17579	11935	0	2996	7588	33415	13293	0	18556	17723	48301	76542	61667	8093	6336	0	0	5995	35075	0	2555	90397	Phytochemical	0.7058824	0.9411765	0.0
6	C16 H16 O11 N2	413.08267	413.08368	0.14055006	413.08273	0	0	0	0	5257	0	0	0	7063	2286	0	0	8470	0	0	0	0	2424	0	0	2997	1620	0	0	0	0	0	0	0	0	0	0	0	0	6848	0	0	0	0	0	2121	0	0	0	0	0	0	0	0	0	1899	0	5180	0	5154	5729	0	0	0	0	0	0	15978	5655	0	5715	1488	0	0	0	0	0	0	0	0	0	0	0	1080	0	0	0	352	0	1496	0	0	0	0	0	0	0	0	1929	0	0	0	1334	2205	8257	5913	0	0	0	0	0	2124	0	0	20999	Phytochemical	0.6875	1.0	0.125
10	C21 H16 O9	413.0867	413.08737	0.059434485	413.08673	4458	5824	2865	5186	7575	1642	0	1524	5677	12588	9752	1486	4246	2713	1370	2899	1733	6937	8056	7057	11320	7207	2801	1699	0	6222	2091	4589	0	0	0	1310	1326	1017	20925	1055	1532	2410	2434	4508	7171	2190	0	0	0	6046	8446	0	0	1256	4956	5046	3974	0	4197	5395	2887	0	0	0	0	3506	10513	4002	3568	2539	2125	2089	9203	13172	15760	0	0	0	1581	1645	0	903	4924	7070	4267	6011	1125	0	7798	2482	4345	1702	4233	4341	0	0	3076	8879	9412	0	3287	3517	6658	5228	4809	2406	1157	0	0	2088	5751	0	2515	5938	Phytochemical	0.42857143	0.7619048	0.0
28	C21 H16 O9	413.0867	413.0871	-0.14406326	413.08664	8276	7529	6098	7053	8080	5337	2552	0	12674	17202	4423	1830	16954	4708	4101	2554	0	16478	15462	5920	9628	18980	5430	1976	2946	6425	2860	2731	0	0	1625	0	1792	0	19947	0	2583	3825	1277	6284	7867	0	0	0	0	7488	7029	0	1031	0	6218	6013	8599	0	15300	9652	2926	2806	3206	2718	2808	3996	17593	9806	5288	13399	5212	1899	12363	13789	16280	0	0	0	0	0	0	1520	9966	16048	8009	4366	2381	4023	14277	7329	7763	2731	3569	2324	2334	4290	3530	20734	25813	0	8709	5929	8496	10623	13098	2989	1090	3340	4767	3569	7630	0	3908	14716	Phytochemical	0.42857143	0.7619048	0.0
26	C21 H16 O9	413.0867	413.0871	-0.16971938	413.08664	11054	9376	7718	9280	14760	6560	2077	0	17763	22307	7492	0	25121	6450	0	0	0	18484	19404	9944	13407	27107	6291	6104	0	10907	0	3004	0	0	0	0	2715	0	28201	0	3249	3442	2709	6083	12071	0	0	0	0	9459	14665	0	0	0	6809	10038	8937	0	19083	12880	4642	2247	0	0	0	4109	30115	18219	4687	15687	4377	2149	11306	22519	23608	0	0	0	0	0	0	2628	12772	16465	10375	7753	0	3916	23177	11171	8456	5110	4421	5877	2404	5013	4377	25401	38267	0	10015	8806	9302	18365	18307	0	0	5691	0	3052	12363	0	3010	28697	Phytochemical	0.42857143	0.7619048	0.0
22	C21 H16 O9	413.0867	413.08716	-0.12268434	413.08667	23391	28986	22774	28549	33215	24232	8560	3757	33687	62473	37141	6324	43660	20708	11011	7805	7346	53743	36700	43375	46273	49539	14795	7366	10572	36516	5838	17998	5137	4515	5225	0	9923	3092	78936	3536	12088	11158	5924	23125	29236	11126	0	0	484	31158	40486	0	4712	4360	26080	31270	27730	550	41372	34955	15048	9656	7699	5623	7598	22073	63263	44127	17214	34521	19546	8395	42324	45940	61915	3027	1547	0	4782	3103	782	7192	32624	46091	24189	27072	7939	24528	50681	35112	29245	15713	16079	12258	14580	19568	11132	53754	76740	0	26977	22099	34753	40729	35731	9887	6812	11010	25669	12599	30919	0	10309	57409	Phytochemical	0.42857143	0.7619048	0.0
24	C21 H16 O9	413.0867	413.0871	-0.13843459	413.08664	15890	13945	13359	14673	20808	8787	4392	1438	28003	31161	16227	2357	28537	10843	8689	5200	3429	30889	24707	20901	26372	33530	7356	4114	8223	22052	3626	6447	1658	1754	1645	1626	4097	1046	47973	0	4411	6250	3840	14878	15626	3817	0	0	0	13427	19158	0	4687	1821	13720	14497	12167	0	24171	15922	12379	2122	2943	3315	3695	13701	42020	25369	9021	28590	9224	2458	25718	25944	33175	1981	1016	0	1431	2678	0	3333	20496	29063	15205	12733	3483	10679	37711	13109	14464	7872	9934	5379	7214	6676	6313	44315	58225	0	13553	13995	18248	21670	26299	5105	3350	6748	13688	5414	19705	0	5088	35239	Phytochemical	0.42857143	0.7619048	0.0
18	C21 H16 O9	413.0867	413.0872	-0.09141832	413.08667	57725	59826	48876	56216	61352	38948	15015	9258	62274	170862	117565	10399	101505	34869	20345	18403	10702	79198	87491	107922	109093	114952	27976	21491	20737	97297	11691	58891	10972	4847	9116	7847	21304	7885	200892	7244	16151	18083	13959	71297	66941	30656	2144	0	0	68291	77406	595	10759	6094	50693	53326	47406	392	68948	52101	35166	19807	17722	15291	18688	55602	108259	63825	31190	70644	39460	10774	93322	101524	131325	13261	5782	1932	8368	10616	391	13345	50021	81547	34358	61782	17577	54830	78445	48181	39323	28618	30101	17109	27916	37322	24276	113268	145271	0	52112	48414	65726	67310	63613	19034	7575	24476	50856	16109	54346	0	22330	84630	Phytochemical	0.42857143	0.7619048	0.0
20	C21 H16 O9	413.0867	413.08716	-0.13761894	413.08664	42328	47935	37693	38871	63541	37534	13299	6986	64350	122119	59331	9901	87028	39119	23521	22296	7765	78749	70424	73957	76381	95950	27786	17554	18543	81917	9645	37005	8073	6416	8545	4306	15846	8224	127565	4048	25878	16095	10764	48524	50318	21126	1818	0	469	59732	64644	1289	10868	7524	40782	46487	43650	451	54383	48833	26967	16114	18749	13690	15546	35946	84797	48581	30716	78825	34478	11783	71058	79171	97412	8919	3145	2667	5338	9011	605	11927	43744	73465	34990	40721	13604	42792	62513	38965	38073	26115	30435	18598	18869	30288	14204	112035	111480	775	41876	46463	52453	64003	63745	14242	12329	24029	46495	13831	42390	847	16305	92550	Phytochemical	0.42857143	0.7619048	0.0
14	C21 H16 O9	413.0867	413.08725	-0.07274112	413.08667	29535	30002	21448	29860	32736	16195	7268	7561	42273	100874	64672	6146	40636	18895	12089	11712	4382	32899	38752	55607	60902	62157	14606	10236	6556	54154	6793	31798	3565	5481	4810	8386	10056	3130	128078	2868	10847	12928	7669	38008	44682	12740	0	0	0	35429	61728	0	6281	6023	27696	28934	18624	0	34955	27434	15014	12289	7001	9521	19511	25915	60442	34024	14221	38720	15500	6796	55197	55458	89098	6235	7202	2808	5639	6300	0	7133	24413	48091	22077	37079	7298	25629	36212	19861	21303	13872	13270	20619	9043	13828	15197	72080	66814	0	33346	20916	33654	33349	30899	9784	8375	13220	18084	6567	25803	0	8604	39513	Phytochemical	0.42857143	0.7619048	0.0
20	C20 H16 O8 N2	413.09793	413.09842	-0.068652466	413.0979	3255	5172	6542	3407	5505	1964	2213	2001	8141	11194	9081	1107	5435	0	0	3239	2840	5912	7481	5096	14465	17095	3228	3153	1615	4173	1257	3272	1420	1534	1608	0	2813	1470	7609	1588	3700	0	1728	14415	17364	3218	0	0	0	9388	19532	0	0	1484	5600	5263	5421	0	3499	3165	3736	2425	1247	2145	4307	9746	6324	4044	3403	7655	1848	2597	4505	10998	17073	1726	0	0	0	0	0	0	4905	19246	3850	7614	3212	8982	3740	3408	6316	4198	1969	8011	5640	9183	4760	25202	22776	0	6968	3385	4618	3833	4377	2237	1714	2499	8149	2291	2630	0	3807	8047	Phytochemical	0.4	0.8	0.1
12	C17 H20 O8 N2 S1	413.10132	413.10196	0.11728699	413.10135	6817	7570	6668	8560	7294	3615	3687	3321	7263	7694	2027	3113	7858	1935	6285	4425	4709	9324	9482	7672	11126	25245	6129	4790	2853	1457	2797	0	2584	3740	4452	3674	6898	4949	11504	3077	4661	3325	6667	16809	15861	3452	0	0	0	6778	8714	0	4840	1941	3377	5459	6718	0	4773	3947	2377	3816	0	0	0	7329	9284	5626	2512	5757	4109	10803	0	5641	6601	1886	2914	0	2206	2378	0	3816	3743	0	3226	5357	5103	5044	5766	2121	5128	3637	3630	10293	7957	18932	11591	9403	7371	0	7481	8855	5050	4453	3519	2877	3487	8218	0	7216	3742	0	3426	9430	Organosulfur	0.47058824	1.1764706	0.11764706
8	C18 H20 O11	413.10785	413.10846	-0.07226486	413.10782	57629	52504	40510	56307	59039	30698	20822	35438	76209	102319	79569	30610	204020	26161	26178	40042	38884	68395	81603	60273	171712	71094	43767	37674	8882	8849	21145	28619	24865	27726	24103	27827	33061	23764	115397	26267	33536	30446	43622	40199	75602	33684	696	0	0	39650	72158	0	28755	30385	50332	48687	41783	0	83503	132942	34845	30062	22200	40212	46974	36527	249514	176950	36208	73241	36409	47586	28864	20531	50353	28638	25613	21752	27860	31338	0	24541	48686	42492	38605	23889	14112	12569	73606	35160	41147	40928	39609	42227	15177	23187	38335	72996	61013	0	48759	53760	78138	181710	81053	38758	27441	34782	28495	33919	66070	0	16615	232552	Phytochemical	0.6111111	1.1111112	0.0
20	C18 H20 O11	413.10785	413.10834	0.004757743	413.10785	29860	24152	23958	28398	34266	37628	13044	18289	43409	26541	17489	18507	59931	18140	23490	14628	13772	48079	40632	27865	37947	32262	28663	18642	10169	6602	7189	9386	18333	14416	19297	18849	17356	15895	30891	14532	25474	18312	10796	31978	26804	18096	1344	0	593	37482	48440	1137	18535	15662	23445	26990	25093	703	52548	28141	21984	19834	25378	13922	12051	31560	41838	46786	14570	41324	23683	9177	22988	20006	23648	21160	17686	16520	11274	14742	621	18019	21326	15642	20457	35580	13303	12801	32924	23274	16352	20624	22882	10478	13273	19172	26578	21855	18590	0	28708	26848	31567	23679	27247	17763	16003	23276	39809	15660	32349	680	10469	61300	Phytochemical	0.6111111	1.1111112	0.0
22	C18 H20 O11	413.10785	413.10846	0.19372037	413.1079	9240	7862	9932	12144	10757	13542	2887	7714	14184	9142	5939	7495	16859	0	8993	3585	4323	16153	12496	14303	14879	9665	9300	8930	3281	3314	3232	3177	4937	5800	4296	3993	8687	5785	10519	4960	7047	8393	5562	7660	9144	4149	0	0	619	15762	23617	0	3746	4206	4784	10971	10990	378	18175	9202	7464	8807	7044	6609	10346	13364	17728	13146	4488	8796	7774	3159	9471	5585	8670	8369	6251	7303	4228	4145	952	6463	8592	6069	7920	14744	3103	5488	12186	7110	6665	3137	7627	0	7496	11759	6333	9549	6534	0	10180	6826	10548	12278	5544	5087	6934	7159	12108	6791	14464	0	3749	20091	Phytochemical	0.6111111	1.1111112	0.0
10	C18 H20 O11	413.10785	413.10843	-0.046252236	413.10782	136263	125791	115775	115932	134444	85881	48481	71436	192194	229444	169829	73955	449920	56743	75062	85046	73287	197194	193704	154323	219099	387384	93591	91331	24782	27850	53476	61025	60988	63919	63662	71378	100323	64973	576576	64041	93959	78850	77335	103583	323208	77406	3798	0	0	95485	161867	0	66079	68976	117420	122714	104755	531	445666	274128	73735	80642	71226	89239	109764	101145	548434	404092	74258	160930	96747	94300	84792	62709	109339	74429	65801	51867	65638	63699	0	64769	112934	117017	88836	81603	41139	39356	158032	78876	87224	74016	86951	76873	52909	79958	95547	398894	183338	0	119792	120618	150648	281780	272306	91015	69399	79128	97110	75609	130777	0	39431	534628	Phytochemical	0.6111111	1.1111112	0.0
6	C17 H20 O10 N2	413.11908	413.11975	-0.09361524	413.11902	27339	28560	26371	27439	20083	14684	9038	22237	29389	23034	24444	23629	35977	5777	13773	25840	33163	35105	37222	19894	35896	32635	25541	24611	5072	1200	9205	5124	16448	20614	21442	19787	27836	18094	27757	18606	28847	16114	34709	18206	43764	23826	0	0	0	20509	35378	0	28002	18374	24712	25402	20238	0	35625	21810	16613	27566	16704	30738	22400	17322	46517	33221	16051	35279	25367	40802	4697	4787	6696	20084	20187	18839	18373	16520	0	14890	17003	9547	14555	10611	8755	4469	30516	16519	16615	31782	27341	43904	9144	14047	42858	21497	18924	0	25149	25336	15692	23719	28520	32610	18383	30151	17227	29759	18249	0	9575	59102	Phytochemical	0.5882353	1.1764706	0.11764706
12	C17 H20 O10 N2	413.11908	413.11966	-0.048612688	413.11905	398898	512740	582386	537468	392797	320174	284792	525450	509020	811964	557440	392894	687073	166744	445480	408114	506158	674908	736946	815608	1026450	995008	568536	458618	222522	242187	192222	198212	416994	357876	439516	440424	642894	377374	1053070	409940	503275	377048	494564	780226	909496	374332	2892	0	0	644934	859686	0	414074	393210	530938	514142	387038	0	610949	379476	308332	430166	593202	373864	167272	722446	801766	608986	237118	543162	374232	435818	380838	313324	645122	420238	406148	369598	377600	359822	502	413974	316878	267074	286194	426556	249396	287950	440928	306616	359776	330340	417604	676114	294328	511950	571918	638886	622624	0	606660	644736	433764	312100	333016	642630	362614	486408	342496	579790	236628	0	262086	895456	Phytochemical	0.5882353	1.1764706	0.11764706
10	C17 H20 O10 N2	413.11908	413.11963	-0.094445825	413.11902	77003	78033	68285	73981	50559	42731	37611	70453	68069	87568	77977	73585	85554	19220	55384	77979	86307	83795	94276	78383	115140	114763	75427	74126	22849	31089	39404	31051	51658	55680	62337	62831	98234	52471	113074	55579	82922	58997	87076	85120	112115	49519	907	0	0	67250	104953	0	67359	68690	75413	76701	52775	0	100159	52607	42288	65448	81932	75219	62641	71499	113340	87072	39203	69202	60381	83547	42573	38513	60094	64206	63234	53658	69204	51592	0	59703	66895	35994	56251	49040	31499	24198	56610	31446	50190	62653	63500	86180	29266	56260	120476	73448	63935	0	74280	80319	48632	48148	44906	86046	63846	70909	98697	81537	42303	0	34302	125589	Phytochemical	0.5882353	1.1764706	0.11764706
14	C17 H20 O10 N2	413.11908	413.11963	-0.040448144	413.11905	34663	28428	36416	28994	26698	26552	19987	37313	36733	20022	18103	35469	43828	11902	36669	30907	40274	44660	37929	25253	34124	50637	38610	32757	16765	3731	15920	0	28507	21383	24789	27775	38278	26576	24439	29350	42238	28587	37774	26869	36065	26710	0	0	0	28130	41375	0	25872	32313	24131	27448	23450	0	50337	22687	21701	32328	37988	28260	19608	34098	46396	42297	20567	34410	28964	39709	0	0	11411	25483	24335	27241	25846	26747	0	32213	26965	17188	24775	20243	14645	7859	27763	16043	20815	29486	31170	41555	17740	30681	61338	33708	14910	0	33303	37080	17262	18582	18352	31550	33885	29509	23073	40660	19231	0	15598	53660	Phytochemical	0.5882353	1.1764706	0.11764706
8	C17 H20 O10 N2	413.11908	413.1197	-0.08606409	413.11905	58470	62808	46566	54337	33412	26181	21158	47948	53376	50876	60401	51307	65648	9196	34774	50250	58536	57316	67686	45877	77338	78669	52788	51547	11345	2315	20852	15588	37910	37078	39589	44047	56856	40104	69722	37076	55105	31915	61487	46169	90407	46634	0	0	0	44696	80565	0	45152	46336	59189	53472	33724	0	70670	40611	33688	42193	50538	57431	57460	51754	90666	72439	35673	58080	38442	73281	10157	6964	19356	46711	39909	36115	43289	35905	0	35657	38057	24860	34495	24755	21528	13650	46571	23621	34544	48987	47746	72691	10765	39735	81610	53679	33724	0	56183	55086	29996	42784	41144	61611	41170	53323	108435	56365	34790	0	19979	96463	Phytochemical	0.5882353	1.1764706	0.11764706
26	C22 H20 O8	413.1231	413.12347	-0.17082322	413.12302	16858	13925	17124	14225	22180	10849	2105	0	22841	46107	21677	0	31567	11699	0	0	0	24364	20091	32412	42205	27621	6780	6653	0	37276	3235	16558	0	0	3085	0	4273	2908	52175	0	5768	4914	4304	21729	24196	0	0	0	0	12070	23963	0	2916	0	15318	16482	13840	0	21942	18921	9695	5578	5940	3236	7274	12997	34514	16408	6505	25197	11595	4260	47088	67856	82298	0	2959	0	0	2344	0	2615	14498	21026	14783	13082	3418	16175	26748	9038	12310	7150	9837	5512	8060	8381	7797	28198	40841	0	15158	14414	14535	27551	22038	7848	4017	6507	10838	5537	16480	0	5101	31518	Phytochemical	0.36363637	0.90909094	0.0
24	C22 H20 O8	413.1231	413.1235	-0.10367836	413.12305	26334	29782	28059	28361	37030	20722	6278	8066	42824	85938	49459	8648	58376	23965	13562	8166	6901	44805	42128	62347	62551	45526	17832	11188	8253	93558	4886	36178	7730	6621	10356	5508	9761	6075	97694	6709	13299	8338	8584	44859	49042	14388	0	0	0	37064	46392	0	8495	7017	28936	32584	27474	0	42484	34268	16438	12169	9544	8399	13073	29914	66721	34825	13109	48284	20180	7459	90912	115161	144390	6522	3745	2956	4507	6350	0	8468	33257	40143	27760	34188	8511	37213	50341	19514	22139	11907	17121	12296	13462	15413	12420	51266	62628	0	33460	26345	37092	39478	40745	5805	6828	18218	32706	10240	37433	0	12498	60225	Phytochemical	0.36363637	0.90909094	0.0
16	C22 H20 O8	413.1231	413.1236	-0.08393651	413.12305	99735	111758	98298	99875	88764	57570	37820	50558	98628	304787	182845	34863	106832	53347	51768	59929	38235	111387	130647	244272	219827	136746	58397	64637	42182	305518	40169	133546	42845	35988	48505	45780	59452	42464	331275	43048	58862	43817	49320	143187	155450	47030	2461	501	469	126965	152471	600	55408	50605	106317	98683	67869	613	78494	78949	48995	76674	57421	47267	74871	101151	128869	75047	41049	97287	57171	44316	258572	366629	408709	54423	48900	37525	32572	54073	597	38896	92565	98257	68724	114391	42180	113200	100965	57801	74438	49673	59824	66210	80124	76384	77181	126326	168479	622	103443	101186	87448	81084	81279	56730	33382	60359	84130	55144	80951	458	54751	114656	Phytochemical	0.36363637	0.90909094	0.0
28	C22 H20 O8	413.1231	413.12347	-0.19579573	413.12302	7467	9103	9459	8643	13761	4514	2793	2960	11148	22201	10839	1746	19754	6513	3984	4230	0	13846	13414	16121	17785	14627	5865	6223	5093	18536	2840	10793	0	2174	2153	1338	3060	2712	25359	0	3718	3013	2592	10319	13868	3484	0	0	0	7255	13227	0	2908	0	8383	7942	7997	0	12941	8909	4223	2967	5169	3099	3896	6691	17997	9811	3426	14554	7089	3003	28501	34302	39614	2841	1323	0	0	2286	0	2097	7807	15046	9474	7555	3221	9636	15560	7069	8191	4262	4536	4031	4655	7410	4505	16917	19691	0	8949	8649	8074	15440	17286	2653	2664	5507	5435	4044	9523	0	5274	17842	Phytochemical	0.36363637	0.90909094	0.0
14	C22 H20 O8	413.1231	413.12363	-0.09642128	413.12305	69840	69310	61308	66434	50823	29318	34626	34342	56876	175273	113076	29580	50638	29624	38297	44139	25927	53066	53566	132498	125606	89183	38584	43068	29525	167671	33694	93464	24738	32489	36870	41648	35346	29918	180465	38602	34592	38976	42260	85741	108747	24228	0	0	0	83655	109012	0	39229	38179	61277	64285	35910	0	47274	41557	25676	56800	40423	38254	38241	63167	61853	45464	28976	50568	31394	38775	174162	188718	245756	35766	30216	31598	32402	33184	0	26574	52799	54960	47087	70421	31517	63871	53947	25894	45292	36945	34802	53884	40458	40088	49869	70553	88000	0	58627	60060	49854	50555	40808	40865	28116	51988	67616	35301	37494	400	33147	53037	Phytochemical	0.36363637	0.90909094	0.0
22	C22 H20 O8	413.1231	413.12354	-0.106291	413.12305	70994	74727	59942	65406	85368	47183	17214	29017	88191	215635	132653	18871	96598	54248	26551	34726	17339	98946	92203	146490	151398	99984	35900	27524	33251	214246	20390	108634	20662	19224	19026	16354	24607	18504	232755	17975	33663	24847	21806	102844	90852	33343	3316	0	785	102517	99158	0	23434	21957	72067	65718	54626	875	80502	65984	38420	33985	28959	21480	25197	76769	108636	76081	38131	94406	49187	22140	190024	286378	288346	27241	15396	11320	14645	16350	652	16176	60274	73166	49969	75874	21113	75985	101157	59302	46664	33467	35623	20659	38046	55427	32988	98257	125457	0	56299	66611	77688	89400	74488	31155	21125	33451	70850	28027	75921	0	24117	107161	Phytochemical	0.36363637	0.90909094	0.0
18	C22 H20 O8	413.1231	413.12357	-0.081179306	413.12305	142205	138297	139279	112955	123219	87821	46423	71554	136133	435268	276171	42854	174714	88915	70117	82424	48938	148038	173536	330471	308655	200498	82003	69119	56369	455471	47773	217795	44745	43882	55858	48911	69708	51137	473286	49168	70289	55952	51183	221569	195048	55048	4979	577	575	168478	178931	714	72602	51842	133662	139375	95606	808	133257	110894	66508	78334	65106	45201	73129	154253	183555	109570	62123	165467	86736	48699	363206	508899	572922	53351	41904	36127	44692	52351	865	44067	116411	140000	84806	150956	52051	155161	147468	85004	90717	70056	72445	76183	108009	108935	95002	167231	253633	1486	136325	133175	135630	129570	122746	63406	38830	77528	111590	55434	99655	729	64888	171169	Phytochemical	0.36363637	0.90909094	0.0
20	C22 H20 O8	413.1231	413.12354	-0.099505104	413.12305	131738	127730	126496	105924	137114	93961	38448	46425	142886	380824	248957	31705	179760	96676	57911	57899	33437	139140	155923	286135	309643	175331	69034	61958	52704	381373	30582	188847	45314	34520	36206	40200	59262	40499	430429	23777	65698	49057	40841	179804	152853	54353	4124	1096	659	163575	165396	1338	43664	34147	115180	116879	88956	1494	131678	108198	63506	62850	55008	42034	54625	130614	170055	109485	63418	138338	74478	34433	332275	459565	490523	43001	36037	25632	27887	37701	712	40152	99492	126097	75993	121346	49264	167522	148779	76187	83900	63133	61768	56526	88139	93430	83027	170494	191241	1285	117828	111358	135359	111417	124352	50294	38710	57491	120354	53701	103039	1054	52265	173753	Phytochemical	0.36363637	0.90909094	0.0
6	C21 H20 O7 N2	413.13434	413.13504	0.02318442	413.13434	17570	22419	23795	19345	17787	9220	7244	15562	34120	40619	33026	16274	33354	6842	12940	15796	18777	18961	26985	33442	52343	44627	18285	16373	3531	23202	6851	12050	11036	13382	12058	12600	19703	12397	46879	10397	20994	12383	16512	21658	35637	15129	0	0	0	18307	36861	0	11010	14184	25489	21226	19597	0	17727	17864	8419	16235	7011	18881	16631	18941	26102	25663	7440	17378	14938	25277	35874	41094	61496	12438	9476	8585	14737	9764	0	9855	18388	8662	9057	11135	7627	12092	23048	4406	19133	16904	15115	38710	0	9800	38231	36379	28554	0	21389	19716	15012	16154	17184	21211	11568	16615	0	22999	15920	0	7972	28377	Phytochemical	0.33333334	0.95238096	0.0952381
10	C23 H24 O5 S1	413.14172	413.14218	-0.2383174	413.14163	4808	0	4072	3475	2461	3014	3333	5274	1850	1545	0	4272	1293	8308	3617	8292	5309	0	1558	0	0	0	5611	8324	4226	3130	3629	0	2844	3904	6374	7292	6264	1928	1570	0	3455	4717	3952	0	0	4920	0	0	0	0	0	0	4721	3765	4960	1644	8694	0	2894	4457	2663	8144	5872	0	0	0	0	1355	7040	1266	5063	7530	0	0	0	1815	0	2521	24880	3022	0	2962	4637	0	3787	0	2483	0	2367	4364	12151	2622	4180	26170	0	0	12478	0	0	0	5153	3465	6568	2455	3145	6138	4804	0	0	4953	3654	0	6274	0	Organosulfur	0.2173913	1.0434783	0.0
10	C19 H24 O10	413.14423	413.14478	-0.086888306	413.1442	339868	315782	273398	285914	88331	77422	220960	368902	259572	286595	169980	116348	254012	50968	241554	326148	242156	284594	309042	482186	491838	172198	281934	375566	75825	121299	228496	113912	295062	302568	285372	297396	313154	263606	315737	299426	157733	239048	285834	351174	348554	156272	3419	712	612	358282	341566	0	316338	157158	311414	316532	186414	800	342118	179538	136528	321234	310460	296912	190015	129257	129326	253548	65433	223692	172924	300506	163689	325736	389042	303574	278338	162749	225662	265080	0	210938	293322	85381	274236	228620	218904	180664	238280	72437	249892	69780	163534	247202	173630	234104	334098	212342	304710	1413	302970	325498	181840	180276	87398	317390	212816	186946	102268	251126	180372	0	177902	146255	Phytochemical	0.5263158	1.2631578	0.0
6	C19 H24 O10	413.14423	413.14493	-0.049379632	413.1442	16882	15787	29730	34090	16944	9191	20620	29900	12784	19525	13308	29788	11656	6107	25380	16137	20113	10081	26070	35740	23509	27160	27066	39428	6091	6863	16456	7580	32630	36002	17057	37066	27322	21720	44694	19157	25486	13333	22221	21446	19784	17416	0	0	305	14318	40618	0	19092	39040	16444	15887	15908	263	29562	23946	7293	37578	24712	32856	38794	9959	30924	10306	7539	19110	21466	18865	13035	8882	18048	30058	27068	31164	16586	28710	0	11959	31368	7587	13842	8473	21186	7268	15784	9988	14128	7390	22290	16504	6702	9405	29590	17912	11998	0	30460	16180	9370	27580	15353	31766	24546	36586	13315	16064	22104	0	18572	27280	Phytochemical	0.5263158	1.2631578	0.0
8	C19 H24 O10	413.14423	413.14493	-0.120246366	413.14417	113922	56877	90436	116992	27317	45402	76382	140646	44744	178452	106696	43652	94502	18495	42635	64706	57893	43475	103158	159270	173314	58947	48686	68181	24921	31709	36691	32833	52616	55817	48324	113586	50827	40497	93195	50006	50150	44735	65164	105658	134506	29522	721	0	0	124646	72798	0	56839	118132	108790	59468	29380	365	122850	67514	52858	51001	55344	60817	146786	46652	46355	47380	28039	80188	30324	62981	54031	99148	74137	54426	103264	109754	71188	124874	0	41014	120682	33973	51473	37942	81100	66536	90204	25309	91344	57644	36452	54173	24804	44655	63821	43187	50401	443	57356	57037	38864	37694	40225	52500	40628	132948	39509	47000	40978	0	70156	52662	Phytochemical	0.5263158	1.2631578	0.0
8	C18 H24 O9 N2	413.15546	413.15607	-0.13987578	413.1554	106060	117444	89816	108398	44473	46333	63152	124658	69182	96892	64706	85863	79087	21920	91390	131408	98982	81144	111379	115608	115039	162041	102571	141276	60259	8584	62904	47630	112259	104109	108517	125602	133977	98177	139409	102322	140276	86768	116317	116332	120025	68348	743	0	0	115060	118530	0	121707	114513	106036	102479	51730	0	102449	44109	47195	111763	132940	91052	146196	86000	90512	77306	43712	73357	61922	119027	24548	28719	36429	116377	111984	105314	74918	104931	0	80109	80472	53571	71304	61055	73451	49748	47806	49947	75820	68218	80110	136179	71696	136266	185134	85029	99647	0	105714	109528	42599	45506	44720	125245	82403	148196	66976	119276	47359	0	65527	110095	Lipid	0.5	1.3333334	0.11111111
2	C18 H24 O9 N2	413.15546	413.15622	-0.09989661	413.15543	8883	11146	7118	10101	9811	0	5054	10219	11298	6661	6797	8469	17110	3919	6519	2323	7822	13126	11583	6339	14665	14689	7642	8192	2988	391	0	2894	10357	5377	9989	7979	15764	8995	12102	8122	10145	6699	11280	7408	10434	7711	0	0	0	6058	7216	0	10320	6058	8670	10549	10164	0	12143	7152	5259	10623	5151	7056	3560	4349	18419	14671	4558	17209	10699	13499	1367	2270	2666	10503	9548	6558	896	7730	0	6970	7823	2951	6197	4378	3672	1914	8598	4722	6840	11181	11125	16535	7347	10423	17314	6869	1718	0	10425	11156	6290	10193	8440	7276	7545	6230	4628	13808	6813	0	5685	20627	Lipid	0.5	1.3333334	0.11111111
12	C18 H24 O9 N2	413.15546	413.156	-0.15364848	413.1554	273248	264740	268302	267830	125202	155398	266990	389384	208192	238780	132282	184658	215600	65518	318464	231106	201860	279946	297140	324120	265700	475428	300072	345086	231174	29136	167820	119252	371460	269860	332550	300586	383050	264189	366879	313840	384584	273628	199388	336152	209574	168880	1930	0	0	294168	202466	0	333080	294500	302364	261482	177780	614	364910	133764	129326	335716	455822	209754	314112	220446	240492	216986	107162	219840	174528	195396	46082	109456	98358	307574	282066	295020	149650	262590	0	265997	211904	166702	198138	159358	211116	108420	136220	135166	234006	146722	206830	298366	251800	420720	516104	163276	183938	0	307158	298942	126392	105628	124478	353358	225663	325826	190950	331060	139422	0	198150	313918	Lipid	0.5	1.3333334	0.11111111
28	C23 H24 O7	413.1595	413.1599	-0.16314122	413.15942	14901	15920	12622	15276	21200	9991	4478	7399	21109	27632	19637	4516	29027	12670	8858	11093	6382	22824	23072	23604	30215	18030	12454	10230	6497	44597	4691	20108	8003	6898	7611	6779	9204	6303	32924	8054	9800	5100	9406	15607	23440	7940	1504	0	0	12424	18310	1173	7730	7919	15511	14191	11804	0	14981	14862	8032	11974	5651	6148	9585	11886	20358	14202	7090	24064	11791	5936	51021	61736	83842	7125	4398	4573	3538	5566	0	4951	15277	16458	11557	8104	6279	15322	21499	8850	13000	7894	8989	9303	11814	11473	11745	15979	20799	0	14429	14755	12398	23333	22195	10717	6737	11076	7718	8147	11966	0	5662	19778	Phytochemical	0.3043478	1.0434783	0.0
20	C23 H24 O7	413.1595	413.15994	-0.0875972	413.15945	326978	320796	317190	295142	296241	211920	130864	205453	295594	696166	507256	136899	336900	206801	183898	231973	155340	355807	431089	693211	720720	302963	191973	241462	165770	1253261	126936	443433	202130	156294	162993	179061	224110	172492	754320	157410	245848	149167	160880	495240	454712	167853	8909	2257	1688	314894	315141	2594	185016	177001	305528	309615	229306	2211	255174	249004	161147	225144	180838	145021	222746	319025	341959	229106	145518	293049	214487	170300	950603	1345555	1503257	192957	163641	152395	134994	164986	1094	142893	276576	228766	208982	210628	164879	401172	310274	192358	242559	210404	210347	215871	248316	234793	288393	261014	319534	4237	316863	312678	257531	254917	262832	218801	139480	245650	231881	205630	235898	2251	175047	366730	Phytochemical	0.3043478	1.0434783	0.0
24	C23 H24 O7	413.1595	413.15988	-0.13868491	413.15942	103636	100442	87318	97969	116662	68749	29061	49084	105679	223234	151245	31443	154928	69929	52152	55057	38714	114328	127479	196831	207335	94757	63378	62718	44738	353350	26791	142271	47100	37411	39477	36773	56159	35940	264921	40247	57029	37301	42826	142076	132789	42926	4774	0	0	103435	109526	2455	48564	41315	91029	91422	78613	0	105128	97609	48786	56301	51497	36013	57994	102445	131016	84189	44700	124755	67879	37434	329139	375416	427530	47719	40700	38677	29298	39805	0	42423	82755	68317	69358	74231	38741	108422	121950	58912	81132	50365	53729	46220	67943	63056	73725	96651	116499	3328	100518	92521	84031	101852	99210	50954	35755	61829	75904	55376	83962	0	43549	131040	Phytochemical	0.3043478	1.0434783	0.0
22	C23 H24 O7	413.1595	413.1599	-0.0937136	413.15945	230817	229426	218356	216812	220703	159789	76519	141211	229973	548314	416944	83973	230975	162789	119916	142480	86143	254147	246837	521117	537608	251570	138622	155505	119264	863346	75316	376326	119447	104453	117957	124779	142843	104272	590579	108323	165097	103267	97092	360829	305993	106266	6521	3426	1594	260996	231968	2776	124370	109440	225874	214936	160999	2488	216276	195590	115696	139394	122945	89775	152555	251220	273235	168076	102209	243177	162139	99622	748101	1026884	1058855	127020	98936	83421	74235	106182	2022	94455	185314	159201	154842	176898	105273	262865	243004	146409	169882	116138	119163	126378	178869	201676	185344	211179	269575	4481	200669	210405	203917	206150	182282	125901	85086	166508	169336	138470	177669	0	117885	274305	Phytochemical	0.3043478	1.0434783	0.0
12	C23 H24 O7	413.1595	413.16	-0.20649803	413.1594	35900	37766	44801	42748	20701	15249	29940	43544	21969	51134	44091	24307	16441	12914	26212	51114	37871	19857	28019	61636	45933	43510	28744	41859	23562	64940	35770	27926	26194	27459	29322	41441	32810	21485	48609	33858	26268	28848	45891	44104	69707	13691	1157	459	471	45378	58925	447	40343	34089	35067	43567	14868	433	26449	16959	14651	40455	31988	35767	30178	28771	16566	21004	13246	21008	14041	48826	50917	65594	87181	24197	30091	37161	38767	35843	402	20870	38039	28572	32518	31933	30797	31091	25903	15308	38887	16846	18080	49001	31652	29549	40132	22687	32284	890	41004	41376	23500	25293	23169	31596	25561	39688	21852	28505	16096	604	26808	16771	Phytochemical	0.3043478	1.0434783	0.0
18	C23 H24 O7	413.1595	413.15994	-0.08721472	413.15945	273328	290926	249654	253004	237002	160588	141976	226181	207094	507629	366425	140890	283228	158840	170004	221083	157793	233524	293101	557682	529548	263415	202003	242129	153996	904012	133611	322137	187744	170554	184142	205865	227518	188271	500451	189050	209379	159776	179376	373416	376973	132302	7177	1475	1187	256296	260290	1661	206219	174111	274115	273400	181876	1067	234636	193352	138191	219067	168184	159460	209853	242592	285152	180906	119488	248132	162724	189780	719950	917879	1191804	176092	155276	173596	149830	202320	950	140572	251790	194738	217720	197782	164328	273105	254884	163476	227036	145603	148944	229833	211800	232174	255494	188240	266990	2584	274795	243323	206504	207652	203357	199514	138880	233071	156227	178075	177702	1179	158683	249197	Phytochemical	0.3043478	1.0434783	0.0
14	C23 H24 O7	413.1595	413.15997	-0.18615605	413.1594	86896	97052	86398	89543	59175	44523	71898	87108	67967	137921	104729	64784	59556	36229	57614	88154	80449	53266	63984	122590	133005	96015	61698	91186	58169	183021	66723	91987	61974	74427	71338	96083	78315	54721	132798	69257	66287	63973	80760	97378	133512	44722	0	720	549	83287	107733	746	74198	76591	90885	88451	60266	592	68299	51876	40580	102123	79995	103032	89760	64372	62905	51899	38725	56801	45914	95760	157080	195660	252253	66617	60721	73246	67443	69459	514	52684	90047	63299	86648	73038	63786	79535	70358	37323	94770	45362	52030	108024	76942	70321	97665	62462	75716	1488	99693	81202	64607	61996	56539	77608	53203	104555	68708	72637	51625	527	73616	48809	Phytochemical	0.3043478	1.0434783	0.0
26	C23 H24 O7	413.1595	413.15994	-0.14578192	413.15942	36014	34522	35876	29947	40796	19526	8428	16661	35987	62994	44665	14211	61245	24272	19931	20346	13255	40845	46468	64666	79495	36997	18851	27335	12041	106702	6466	46995	14035	11540	18561	11506	20086	15998	83007	14233	24691	15557	15653	52488	56382	15487	0	0	0	35237	48046	0	19522	13849	33916	34544	28957	0	42278	35299	18684	18639	13227	11979	24624	34945	51514	34743	13375	44125	23318	16442	132401	146018	180577	15837	13742	9612	11359	15790	0	12600	34978	38297	28719	28839	14819	36201	51191	21950	27839	21912	21702	18583	25195	22399	25669	36663	43819	0	37185	37419	27138	50153	48685	19520	11671	19291	21045	15936	31614	0	14451	52085	Phytochemical	0.3043478	1.0434783	0.0
24	C20 H28 O7 S1	413.16284	413.16324	0.05358734	413.16287	14211	12463	11861	12141	8627	9623	5189	11826	20404	19533	6865	5006	11792	5205	9093	13960	10634	18471	16733	38156	35880	21277	7212	15362	12098	11458	7556	7963	13509	6265	8115	8523	12152	10944	22205	11301	13087	6946	12501	16202	9688	15024	0	0	0	13686	25090	0	10468	8083	14715	10247	8359	0	23012	6361	6359	18155	13491	7862	12914	12417	6074	10979	4878	9893	11416	6086	9360	18227	20527	6611	6953	6216	12678	6548	0	6258	9892	8504	5885	10830	10639	13945	8759	7228	12047	7415	7513	19835	32205	35680	25907	24262	28203	0	15771	13385	8075	13074	9773	11595	4252	15768	8627	14095	11200	0	10546	31708	Organosulfur	0.35	1.4	0.0
6	C17 H24 O8 N4	413.1667	413.16733	-0.16855809	413.16663	9466	8300	6701	4883	3147	3321	4757	8349	6139	4359	4892	6789	7585	2372	9264	11334	7907	6968	7948	2338	3449	10736	9122	10782	4283	0	3844	0	8261	6806	6775	9240	11092	7455	4161	8271	8734	6933	9726	3892	3574	5927	0	0	0	4762	5021	0	9526	5555	7991	7073	4757	0	8524	2160	3909	12107	6581	5857	11752	2450	7823	5534	3421	7011	4642	11538	0	0	0	6748	5398	6324	3682	4864	0	4885	7130	0	5302	2589	3097	1483	5717	5342	10273	5775	5068	18439	8896	10050	24605	3314	3288	0	8152	6091	2564	2370	2858	11110	5988	6171	0	12697	2601	0	6527	8299	Peptide	0.47058824	1.4117647	0.23529412
12	C17 H24 O8 N4	413.1667	413.16724	-0.014611627	413.1667	100962	102052	124189	111165	65982	59613	102752	184628	82529	185259	104812	82367	93426	35358	120928	129841	56974	135800	148361	250970	253490	151692	125025	138178	89514	159364	29592	44904	149265	119116	113782	119267	142402	110486	252239	134867	110233	90117	95767	191234	158060	71944	1090	0	0	172880	161864	0	116986	146260	106162	98732	74305	0	126436	69444	49358	120541	157598	107574	55895	142092	110978	87238	42031	80823	73650	109513	108607	206160	203842	116210	138265	137600	87479	98425	0	95486	97834	39681	89734	96488	92303	96638	94692	58267	43769	30439	78537	125424	99078	134011	161587	102588	115846	0	99846	142268	80446	45636	76178	117544	83261	159740	46329	110408	66664	0	82957	120685	Peptide	0.47058824	1.4117647	0.23529412
14	C22 H24 O6 N2	413.17072	413.1713	0.06856791	413.17075	23867	26231	29699	25400	9363	10962	14846	19539	12246	39054	36721	13762	8724	14464	15961	29713	21186	15567	18925	58834	57191	41847	18475	28731	19560	60702	16036	37270	16743	19670	13964	19715	27326	19182	48880	16593	16913	13991	28312	43757	57864	13340	0	0	0	36478	45427	0	22576	22801	21239	19471	13217	0	14475	10012	8275	27313	12634	20034	0	25504	14047	14350	8737	12462	15540	25806	44232	70358	75519	17406	16652	12397	15982	17728	0	12721	15023	34364	16384	16828	14997	33755	12045	7325	24026	16204	14845	39960	35651	25337	46864	31550	39927	0	24595	22850	9095	13494	10424	24597	11215	27212	0	21055	9365	0	15831	11762	Phytochemical	0.27272728	1.0909091	0.09090909
6	C22 H24 O6 N2	413.17072	413.1714	-0.08459978	413.1707	7732	8083	6081	6223	2623	2980	4020	6409	3190	17129	8376	3507	4149	2171	4459	8398	5256	3292	4113	20328	21492	9759	3923	10099	4215	18223	4541	7873	6598	5305	5217	5823	7631	4251	19422	7312	7003	4197	6801	10317	13726	3349	0	0	0	8724	11605	0	6398	4526	8803	7504	3469	0	4058	2667	2241	5400	1641	3409	5128	8108	4452	2817	1694	4073	3837	7387	17307	23348	24215	4805	5549	3603	3683	4912	0	2726	6246	8325	3903	3607	3626	9392	2525	1824	7273	3425	3298	9968	4587	4497	10500	9463	15783	0	8351	5746	1831	2509	2988	6057	3359	8904	0	7087	2979	0	4735	2831	Phytochemical	0.27272728	1.0909091	0.09090909
8	C22 H24 O6 N2	413.17072	413.1713	-0.12554577	413.17065	14212	14405	10369	12892	5061	5973	4675	8796	4397	27048	20497	6881	7004	5772	6522	16423	8492	6110	9310	39266	39352	19701	6537	16005	6976	26240	5514	16983	9144	6779	9876	8802	11670	7854	33867	8552	10791	6284	9459	24596	25118	6086	0	0	0	16997	25507	0	9814	7735	13630	12595	5521	0	6866	5600	4885	11456	1636	6864	8121	16402	6794	5390	3071	7028	6339	14662	26332	43986	49155	9793	9185	6887	7195	9762	0	5858	10274	12341	7759	6333	5663	18040	5857	0	9055	5842	5953	15167	16167	9489	17646	19604	33318	0	12111	12343	4912	6114	4992	9507	5336	12490	0	11132	3823	0	8329	3974	Phytochemical	0.27272728	1.0909091	0.09090909
12	C22 H24 O6 N2	413.17072	413.1713	-0.016082175	413.17072	20996	22091	16763	17832	9729	10790	14933	20620	9506	32313	30054	11038	9983	8358	11678	16983	20106	13285	18556	49278	62583	33420	13503	19179	16210	52803	9575	34443	21022	14045	17521	15705	21901	13985	48146	15709	22645	14408	18754	43967	41501	12868	0	0	0	31696	37812	0	20523	21420	16583	19151	13139	0	10216	7160	8243	20009	10466	15856	16919	29492	9000	8852	6480	11562	12425	20749	47008	80280	72172	18963	16891	11329	14270	14305	0	12511	17493	20995	17888	14443	15914	36546	7267	7069	19057	11975	12974	29275	20420	22260	27813	33442	38839	0	20998	21310	9509	9544	5652	18778	13511	21196	0	21023	6585	0	15383	10905	Phytochemical	0.27272728	1.0909091	0.09090909
16	C20 H28 O9	413.1806	413.1811	-0.14657266	413.18054	425687	425386	431246	437588	273259	275636	640646	1139474	374378	671057	310893	300123	410084	159257	974346	493340	265338	448888	523702	738126	571362	934154	912004	1136376	830792	251595	264581	288301	538064	974132	1059716	544724	1152318	825500	1540458	1047972	1133864	780444	307321	891412	219037	279657	8222	1663	1503	775236	226100	1789	1112504	1011850	443730	443718	291087	2437	571603	260639	204698	1044016	917300	223921	534092	279026	440739	394547	175672	367504	320573	270292	203365	508417	298629	1031118	1024628	1135370	294598	1004664	721	753372	393922	220099	339402	246033	751946	269138	276332	243001	356578	226999	303622	344945	421008	1001546	668975	229565	343834	4526	455655	497708	230262	221959	259007	1048612	296630	499241	213477	498826	246938	1769	333947	442369	Lipid	0.45	1.4	0.0
14	C20 H28 O9	413.1806	413.18112	-0.15126371	413.18054	539692	508000	527448	544568	129264	304464	492978	702770	354042	671950	201070	403296	198293	90155	580294	629856	241013	468922	489252	704304	649848	305312	531012	759012	514148	174914	381544	197625	613252	619898	556110	332310	677790	475248	742900	625726	581368	475258	467460	482838	190148	334774	6112	870	691	508414	198285	514	628244	582650	492360	498724	309364	1303	607544	145341	247252	680364	359397	194855	393709	330022	208226	411690	238772	378322	343632	462616	165641	261327	187575	550874	575846	658500	463760	563986	381	232106	514682	138256	506416	333758	462342	310520	176333	152698	248269	286530	355030	287517	504746	530676	783896	141189	199556	2383	544882	539928	128013	150537	159133	596180	406392	744818	167524	520890	140478	614	438472	413940	Lipid	0.45	1.4	0.0
24	C20 H28 O9	413.1806	413.18106	-0.0524778	413.18057	18935	23422	21824	19227	12790	19216	8011	28689	21160	38407	13876	11064	25805	8234	19913	17989	5826	25990	24843	30355	23226	20448	21698	23701	16880	6092	9010	6361	23177	16856	21580	23412	19304	19810	41377	25951	30350	15187	5544	18235	6939	11305	0	0	0	15676	10196	0	24472	18344	21522	19458	15953	0	29260	14102	10131	26087	17715	5659	19997	17050	29391	23183	7377	21404	17145	7028	7876	26808	10111	24257	21944	22271	8488	20608	0	19633	19206	4876	15170	8688	15223	12582	14844	11003	20474	8031	15768	8498	21338	22724	29985	7677	16567	0	19942	20559	11065	14197	8859	18618	13954	23719	9805	18540	8781	0	9347	26541	Lipid	0.45	1.4	0.0
8	C20 H28 O9	413.1806	413.1812	-0.111954555	413.18057	36689	85148	30976	30242	12688	22176	64027	87652	34672	34820	20966	55740	21010	7338	87608	85764	42384	18692	54664	43386	65716	42026	34374	50260	24130	21480	69408	12804	81308	41158	83169	47257	70260	69464	37568	75368	71692	62678	80746	55048	53520	35572	0	0	0	38232	39034	0	82884	92220	35486	35532	17448	606	62372	23046	26096	41840	45840	61324	49924	15262	22868	38856	12424	16792	41252	99571	17460	24000	29722	32618	69328	85272	64248	81172	0	64020	79044	16964	34842	25892	68297	32400	23070	14510	73936	12612	23352	74420	0	35698	47672	20562	32108	0	68612	38874	16566	39336	28440	48244	54031	102544	23254	33498	21794	0	57655	18526	Lipid	0.45	1.4	0.0
12	C20 H28 O9	413.1806	413.1811	-0.18411732	413.18054	129805	134397	278782	137202	63511	59949	139450	179337	78185	132614	103880	92153	74862	35091	225490	177719	305688	94037	111947	160715	256638	298844	128241	190927	223042	70542	238188	86290	308552	300446	271554	305248	311752	246536	295116	305828	269392	226004	300094	203088	103002	70664	1841	669	0	241972	134564	370	312144	313048	129614	145538	66739	645	124009	66549	53458	312344	160541	111336	153697	77654	107751	80842	47863	165128	71164	155596	65977	223154	94626	240564	248330	323446	271740	262428	211	226948	256700	62267	243078	152494	224170	63835	89971	59986	253686	54824	67548	159365	115198	271740	321482	80536	106007	1021	147038	165696	66549	69302	84755	333844	178788	155284	101308	233810	132278	0	108152	98318	Lipid	0.45	1.4	0.0
18	C20 H28 O9	413.1806	413.18106	-0.120453484	413.18057	541959	496878	508745	480098	335444	357722	336087	671181	447133	995091	355650	279337	627344	209728	566673	442986	203029	680017	739802	932544	653871	545402	508578	631894	476628	248363	254230	339315	675368	535744	598303	603896	716603	570635	1100906	568519	719710	432307	237824	565479	188015	323384	7614	1911	1309	452580	175349	1637	588508	491181	507864	459267	358914	2005	929185	353685	242191	530299	615713	160065	532032	367067	597714	549062	196307	462518	376662	229027	206380	611495	264132	577156	497041	641034	271446	539176	949	438080	403232	194311	355613	234126	372028	256706	310360	294464	354252	259042	366143	209370	536046	721460	697119	233338	380964	4121	533344	509101	295863	265081	264140	596031	357031	590870	210037	441172	263346	1738	312474	586465	Lipid	0.45	1.4	0.0
14	C19 H28 O8 N2	413.19183	413.19235	-0.19242428	413.19177	44307	41598	38670	36780	17681	30747	33838	70975	18999	36924	16715	25749	22511	12279	58027	46545	31421	31182	31909	48658	35589	76124	45886	62885	63617	6210	26823	19441	68511	51734	55321	66496	66535	52637	53178	62735	61766	38247	30910	51643	17898	25366	0	0	0	52372	20906	0	56688	46318	39727	45474	25292	0	34352	13565	18065	63704	85491	26982	44698	22842	21116	30399	17401	24682	29507	24010	0	17344	8578	57908	53040	56541	34434	46640	0	38927	30673	19430	31472	20758	39019	24172	15127	20530	29790	27376	29398	51447	60412	83209	101147	28750	40959	0	54430	47654	11092	10908	12243	65391	31480	87013	27872	53809	13787	0	41986	29739	Lipid	0.42105263	1.4736842	0.10526316
12	C19 H28 O8 N2	413.19183	413.19235	-0.2187025	413.19174	45296	37769	40572	40685	16421	19847	33877	71467	21394	41322	19477	32601	21497	10042	47066	42544	36659	36192	38061	56695	40435	70999	41630	57592	50547	5023	26282	16504	61772	43854	54288	56263	63309	45161	56644	55771	56528	45583	37373	45164	22486	23754	0	0	0	49968	21415	0	48699	48601	38231	46566	21671	0	38345	11069	16118	65682	76181	19760	34034	27641	17443	25794	13461	26470	27655	31202	0	24089	12557	55177	48074	53122	23461	45027	0	39938	33538	16659	29997	27334	43252	19552	16958	18322	39937	21791	24775	56718	60837	88999	91332	28332	39347	0	43488	42877	16735	10103	11920	56095	32211	50464	30373	52989	12736	0	35191	32227	Lipid	0.42105263	1.4736842	0.10526316
16	C19 H28 O8 N2	413.19183	413.19232	-0.14025702	413.19177	25592	28119	29471	33290	14475	20523	24894	44252	19791	13833	7564	16823	19224	9662	33555	31065	17622	31844	36395	28675	19381	38887	27939	42969	44435	3844	16327	9402	51916	29573	37522	51054	54814	33875	31782	41477	50782	24634	21893	28570	9934	14556	0	0	0	28494	16445	0	43870	32557	24825	33939	20835	0	34261	12758	13422	44837	38574	12326	36032	16994	13821	20725	9270	22534	22047	18231	2672	13500	6335	42157	37203	39650	17493	34369	0	27669	21876	9533	16185	10970	24093	15647	15493	14669	20823	16268	16472	29627	67547	61973	63792	9873	24835	0	26743	31243	10532	13084	14307	40998	20490	36692	10102	35265	11739	0	31780	28463	Lipid	0.42105263	1.4736842	0.10526316
4	C19 H28 O8 N2	413.19183	413.19254	-0.1519353	413.19177	13831	17469	13742	15503	7911	10226	10557	20502	11603	15178	5606	8136	17773	4527	13494	16980	12826	16248	18755	16109	16504	25474	14945	18805	14007	2037	8500	5060	17737	14104	15251	16576	21980	12946	20573	18197	19659	13497	14708	13509	9088	9056	0	0	0	15185	11393	0	18878	13127	14976	15561	11768	0	20194	8205	6602	20062	17612	7394	18211	9514	13869	12884	4782	13483	10833	13945	2250	6537	4441	12858	12823	15414	5312	10973	0	11747	12224	0	10736	8360	11199	5844	10840	7610	12751	9124	10504	17162	23940	30558	29872	7837	12940	0	16567	17403	7702	8706	9617	18242	9843	23231	9179	17256	9380	0	8340	20933	Lipid	0.42105263	1.4736842	0.10526316
6	C19 H28 O8 N2	413.19183	413.19247	-0.17075448	413.19177	27219	30864	28833	29860	15907	18194	15500	40312	22226	34316	8973	16376	29923	8880	32819	34719	19422	30224	32706	32741	29626	48739	26783	46931	24434	3576	15415	11788	35290	30026	33557	38242	46041	32861	46071	29650	48070	22046	21292	29282	17224	14217	0	0	0	29183	22262	0	40054	29595	30900	31007	18563	0	33540	11328	10443	42733	31536	15356	38726	16756	28382	20368	8764	24470	22357	26237	3994	12770	7246	29981	28068	29024	12542	24901	0	22246	18262	8748	16291	12453	18449	11540	14326	12312	23408	16198	21533	35544	37812	65948	64607	18148	27541	0	28177	31156	10808	12913	14603	38932	18036	45039	9981	35978	12631	0	15349	37227	Lipid	0.42105263	1.4736842	0.10526316
8	C19 H28 O8 N2	413.19183	413.1924	-0.2111611	413.19174	42756	32158	29190	37871	15605	18985	24297	44445	19760	43162	18103	23026	25951	5674	33760	42701	23321	27413	31592	46185	41604	65383	30053	47565	28687	4991	19805	13883	44269	32134	39667	42010	50355	37955	56084	35401	53071	25088	26131	41609	25857	18168	0	0	0	39891	27942	0	51004	37382	35591	35338	18558	0	32264	12456	12737	45316	39740	18546	41705	25524	26989	24641	10727	25903	23624	31627	8675	13369	15317	37488	35707	32293	18786	31890	0	26305	24328	17527	23280	16969	25365	16759	13811	9206	28201	16587	25034	30198	47572	77998	74890	21794	36046	0	39492	37439	13699	15261	11986	39699	24011	58095	16042	41309	13367	0	23479	36752	Lipid	0.42105263	1.4736842	0.10526316
26	C24 H28 O6	413.19586	413.19632	-0.1266978	413.1958	88496	86288	83558	88176	99387	59561	33928	80207	88561	136957	132644	50660	137614	71265	70337	76913	63657	96109	127712	173418	195596	96255	69188	95481	59641	316354	34633	137609	68464	72590	66006	64304	81273	57415	173944	64052	89366	47999	58460	134951	131631	65081	6581	0	0	88837	84189	0	73506	65965	87399	93183	82734	0	83440	97168	51194	77879	61276	46075	77876	85444	102320	77851	38999	112382	79529	62508	313506	311707	371443	64747	58264	62953	43069	64196	0	50602	89573	69788	70689	63606	54439	106623	100556	65909	89677	63129	59346	71111	72994	78962	108942	73274	95655	0	90462	101548	67514	105236	109086	96205	45301	82908	61985	63181	70336	0	61579	100355	Phytochemical	0.25	1.1666666	0.0
14	C24 H28 O6	413.19586	413.19635	-0.2111872	413.19577	56570	51067	63671	58695	27277	23053	55771	55878	38335	50901	44825	50585	26207	19608	47179	62133	71760	21393	36647	60862	64634	58141	45896	68304	42547	68521	53759	42297	42471	54938	52916	54334	49519	36215	46310	53957	50886	42723	76792	43223	63332	27929	0	591	422	41177	51994	518	56664	55885	52299	54193	31145	411	43140	32385	31015	69325	58503	78813	62256	25741	36120	32805	28216	36065	26861	78281	63749	73567	93693	37560	42336	57325	63350	50977	526	37412	79227	26845	63632	38030	46911	39716	47745	26774	74120	27064	31320	116206	43464	41824	69398	27120	33384	1067	51826	51929	31198	43669	36396	53350	46509	70775	34611	57253	34384	415	56409	29231	Phytochemical	0.25	1.1666666	0.0
20	C24 H28 O6	413.19586	413.19632	-0.11247611	413.19583	491815	484130	474893	406409	451070	298773	263758	418156	396032	641184	547177	301634	398475	276093	358431	483463	383374	374165	513470	831042	905069	419222	345691	465593	315453	1568837	264663	474831	374628	346823	323583	372836	440082	347360	700825	367129	445839	302225	390850	571682	692922	282932	11454	2642	1324	366417	410472	3377	389548	371814	463692	513910	343372	2707	370403	354656	253699	458759	303425	334499	413831	362013	423766	353329	201485	405639	298191	414926	1220679	1543688	2004345	347992	338016	334214	367463	393158	1488	295567	492735	318917	384083	258315	326905	507625	438327	274009	493725	327604	314937	462953	418015	378599	550875	340353	406776	3558	502546	453163	348972	385598	376251	439577	280645	432056	268585	392059	365015	2644	334121	447428	Phytochemical	0.25	1.1666666	0.0
28	C24 H28 O6	413.19586	413.19626	-0.19776815	413.19577	22733	19991	19444	24371	27929	13748	9621	18161	23335	31530	27539	10960	34327	16851	10120	24020	17104	21559	34311	35529	36764	24198	22176	21828	15332	73392	13819	29628	16737	19844	19150	15598	25134	13086	37435	18410	21589	11280	19036	28266	30606	15658	2722	0	0	21048	20438	1563	20916	19506	20426	21406	20470	0	19886	24635	10116	23359	11612	11035	20427	16455	22435	20405	10671	31917	22081	20255	65767	66821	96456	12688	11964	16729	11443	14643	0	11279	21949	20619	16666	13679	12957	20725	28535	14017	28135	15379	13402	24499	16333	19976	27931	19680	20857	1260	21908	22150	18300	33261	30231	22639	12319	22244	11936	23013	13989	0	15079	22499	Phytochemical	0.25	1.1666666	0.0
12	C24 H28 O6	413.19586	413.19638	-0.18178943	413.1958	21528	21408	22994	20911	6858	5126	22698	22339	9045	15279	11451	15845	3629	5462	14883	36026	31063	4841	13249	16167	14359	30626	12364	23268	11392	23518	22510	0	14910	20820	14858	21403	16702	12032	12552	17670	15141	14050	27336	13000	20189	10364	979	575	518	18374	20154	678	20756	26618	17399	24265	8294	354	8496	10068	7367	22903	14328	13732	0	11355	7425	7545	6467	6333	9084	29459	0	20990	25436	11989	14571	21244	24883	18953	385	14827	17496	0	19154	15169	17005	12296	11077	8126	20093	6894	10143	33162	16398	17110	24561	12215	17585	793	20363	19896	9043	13228	10840	22950	15911	27248	0	16436	7389	368	21117	9910	Phytochemical	0.25	1.1666666	0.0
18	C24 H28 O6	413.19586	413.19632	-0.15209635	413.1958	309042	304582	272596	266631	237109	155421	216995	288913	197371	331614	277305	207861	227722	156208	216677	309793	292549	224855	298615	445897	420860	260623	241705	307131	196385	734297	211356	267860	268361	227757	224837	270015	294948	216563	326597	275273	265195	214222	336328	277659	365395	165766	6846	1569	1063	221860	232293	1614	278890	245070	288355	289288	191785	1624	249918	205613	155516	314301	186174	238195	285256	191932	248402	195829	141112	239563	190829	337304	568138	678538	956762	198180	191535	241796	296794	293874	839	185200	354896	198690	280468	185562	206640	226709	269945	182188	320847	179401	193256	333702	289075	261557	347931	178926	247446	2700	299979	267078	212737	239221	237079	269885	188677	276662	149944	239653	182146	1260	247413	200461	Phytochemical	0.25	1.1666666	0.0
24	C24 H28 O6	413.19586	413.19626	-0.100464344	413.19583	327825	307485	291200	315597	301474	209022	127705	246414	258789	551370	503573	135763	356853	238710	187848	266282	161708	331823	393995	687542	671768	297349	210650	281880	180713	1154118	150724	460503	232117	209397	191494	222784	262208	217301	665825	229038	310956	160068	179899	465424	429057	176908	14093	3714	0	316502	265045	4702	244489	212150	297561	294672	238293	0	282014	248917	153751	269078	209318	150746	281805	322239	303490	224430	153422	329299	240040	174637	1024933	1168693	1285119	233755	199979	184241	119518	194835	0	167654	264842	217263	218220	222637	183632	350529	296668	184617	269000	181942	211812	204888	258955	281909	358709	251181	333812	3744	318568	303462	219801	261306	269841	268448	144047	321197	193391	250116	221421	4060	179858	297031	Phytochemical	0.25	1.1666666	0.0
22	C24 H28 O6	413.19586	413.1963	-0.102136664	413.19583	515598	527899	453934	508567	504784	337296	225212	440876	443839	829728	733454	255519	433061	344552	355229	455285	330011	473500	482488	1059303	1136154	498030	376739	489814	332475	1829187	228469	694788	396393	340230	360906	404523	470016	388871	909231	383628	476587	309149	349040	699454	736454	288179	16208	3975	1587	448925	445349	3027	421219	386776	512621	521817	387259	3000	419674	384599	266021	477527	328509	284800	470866	497904	461044	351516	221357	473216	369277	363084	1581093	1985331	2312515	383683	315092	328065	261509	379411	1962	294524	498311	338326	394432	310861	310855	520611	489112	306897	457064	314854	343426	409422	455948	479428	540053	408187	552356	4762	464195	526416	387456	428908	378069	465691	280773	470302	296620	424769	369440	3897	336471	501206	Phytochemical	0.25	1.1666666	0.0
14	C17 H32 O11	413.20175	413.20236	0.006671669	413.20175	0	0	0	0	0	0	0	0	0	0	2231	0	0	11509	1077	0	0	0	0	0	1416	0	1608	0	1372	0	0	0	2080	0	0	0	0	0	0	0	0	1113	2607	0	0	0	0	570	267	0	0	672	0	0	0	0	0	0	0	0	0	0	31608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	518	0	0	0	0	1566	0	0	0	0	2727	0	0	0	8202	0	2203	0	0	946	0	0	0	1273	0	0	1100	0	588710	0	1594	952	0	0	Unclassified	0.64705884	1.882353	0.0
6	C18 H28 O7 N4	413.20306	413.20367	-0.16891691	413.203	5191	5333	4459	4912	1494	3405	3413	7069	1967	1948	2256	2940	3239	1266	6287	7815	3861	2999	5709	2428	2862	4925	4518	8770	6311	0	2943	11814	6331	7082	5245	5399	8457	4692	3667	5591	6216	4877	4467	0	1570	3489	0	0	0	2902	2231	0	9058	4214	6908	5534	2575	0	4061	818	0	7967	2683	1321	7061	0	2103	0	0	2588	3788	5712	0	0	0	6294	3270	4798	2038	4945	0	3709	4044	15634	3896	1428	2171	1012	1606	3147	4797	1672	3872	9363	57966	24211	13184	4677	2997	0	3994	4494	1089	1494	834	5771	4041	2870	0	8250	2448	0	3643	3084	Peptide	0.3888889	1.5555556	0.22222222
8	C18 H28 O7 N4	413.20306	413.20367	-0.15717798	413.203	4211	4423	2463	3964	2504	3278	3355	3369	2000	0	1380	1884	2618	0	4503	3581	2316	1307	3017	2498	0	5006	3554	6397	5254	0	2457	7404	4356	2730	3458	3122	0	3671	2110	5059	4513	4049	2876	0	1450	2276	0	0	0	3824	0	0	5297	3199	3813	2710	0	0	2479	0	2323	5008	0	0	7436	0	1524	0	0	2769	2330	4194	0	0	0	4408	2238	4873	2290	2484	0	2464	3317	8567	1938	1081	1838	0	0	0	5307	2194	1596	9011	35971	22554	11201	2027	0	0	2820	4247	0	0	0	2381	2412	0	0	5581	0	0	3027	999	Peptide	0.3888889	1.5555556	0.22222222
2	C18 H28 O7 N4	413.20306	413.20377	-0.13560088	413.20303	8750	7161	6513	5496	3261	0	3478	4799	3681	1843	5259	3415	4116	1670	4971	2072	6746	4444	2780	1369	2381	6396	5389	5509	3133	0	0	23853	7310	3430	6377	4710	8526	4614	2216	4773	6325	4781	6697	1207	1514	0	0	0	0	1657	1451	0	6213	2687	8249	9248	3089	0	4696	1333	1683	8405	2163	1441	2326	682	3254	3526	0	6178	3172	9658	0	677	0	4072	5367	4195	764	4132	0	4345	6287	65707	2796	2132	2142	435	2265	2275	6366	4122	3963	13134	124683	58619	14806	10439	653	0	6469	7030	1335	1392	2092	3978	4625	3396	777	7413	2577	0	5284	5883	Peptide	0.3888889	1.5555556	0.22222222
0	C18 H28 O7 N4	413.20306	413.2038	-0.2503905	413.20297	2512	2847	3142	0	1305	0	0	1770	0	0	0	0	1654	0	1514	0	1902	1859	1207	0	0	2267	1218	2521	0	0	0	1775	4344	0	2552	2321	2925	0	1832	2341	1822	1569	2034	0	0	0	0	0	0	0	0	0	2611	0	1990	0	1243	0	1024	315	0	5313	532	600	0	0	0	1265	977	1053	3394	2897	0	0	0	0	2229	0	0	2402	0	1148	1557	28560	0	0	0	0	632	0	1861	0	1289	3277	16697	6515	3108	2043	0	0	0	0	514	0	0	0	0	0	0	3800	1006	0	0	1839	Peptide	0.3888889	1.5555556	0.22222222
4	C18 H28 O7 N4	413.20306	413.20377	-0.14204463	413.203	3531	4282	4499	5018	1155	2808	2452	4089	2542	0	0	2012	3176	1042	4571	4522	3760	2487	3918	0	1292	5032	4657	5502	4818	0	2823	4593	4702	3048	4482	5017	6307	3829	2742	2819	4581	2808	5407	0	572	1648	0	0	0	2123	0	0	4044	4095	3722	3131	1848	0	3442	1077	1535	4556	2786	1067	4512	0	2158	2510	0	2528	1482	4179	0	0	0	4234	3079	3793	1487	3187	0	3190	3352	24099	2812	1542	1300	601	1721	2219	4521	1593	2536	7017	50509	22966	10173	3698	0	0	4861	3940	1298	926	863	4903	3181	3001	0	4939	1958	0	3785	3220	Peptide	0.3888889	1.5555556	0.22222222
10	C23 H28 O5 N2	413.2071	413.20758	-0.2425428	413.207	6579	7544	4949	4641	1617	2572	3661	5028	0	15580	8946	5322	0	1374	3104	10654	5892	1816	2149	20239	21042	5679	4780	10418	5555	17895	4257	12022	10429	6305	4069	6877	9381	7205	16118	6797	11404	3707	4661	14077	6812	2801	0	0	0	3600	11639	0	7711	6821	6467	7968	1863	0	0	0	957	7560	0	0	0	3204	0	1972	1369	1031	2448	9364	14150	21722	19897	7606	6495	4355	5550	5898	0	3395	3763	0	4354	1461	0	10699	0	946	3290	4094	4236	13887	21171	0	8902	7778	13272	0	6454	6418	0	1821	0	10671	3914	6521	0	8571	0	0	5980	1197	Phytochemical	0.2173913	1.2173913	0.08695652
26	C26 H29 O3 Na1	413.2087	413.20905	-0.12761363	413.20865	4723	4350	6671	4571	0	0	6746	18359	3143	0	6634	5887	0	2556	0	12138	9647	0	0	0	0	0	0	10253	24376	0	4195	11023	6971	22405	10776	10021	9727	7599	0	10217	5500	8667	21166	7259	9717	15280	5974	0	0	11019	0	0	6275	20847	3723	4223	4755	0	0	0	4735	4359	8561	7026	9286	4288	0	4273	0	3453	4657	2658	0	2201	0	4598	5901	0	8603	9887	0	5647	33236	38636	11569	5019	9606	42981	15600	18007	11882	6184	5968	3156	3124	0	0	10966	0	0	4958	0	3725	22974	37407	9288	3604	9485	0	3510	5694	0	17714	0	Phytochemical	0.115384616	1.1153846	0.0
8	C20 H32 O7 N2	413.22824	413.22876	-0.12258731	413.22818	7551	6058	6707	9205	3474	5657	4149	8458	2927	5019	0	3417	3692	1802	7337	10644	3646	3747	6541	6933	3829	8536	6627	7653	10196	0	4117	4055	8850	7311	7907	9747	11046	7222	6874	6628	11958	4843	4610	3176	1235	2970	0	0	0	5629	1651	0	9584	5628	5480	7744	2861	0	5188	1610	1242	17667	1262	1132	10216	1304	2294	2725	1657	3209	4427	5889	0	2113	0	8129	6435	8982	3762	6621	0	4930	3390	3714	2323	1474	2334	1900	2577	0	9106	3361	4875	10704	24862	17939	17778	2188	5223	0	6814	5464	1650	1765	0	7923	3481	8102	0	10100	1840	0	4288	2839	Lipid	0.35	1.6	0.1
20	C25 H32 O5	413.23224	413.23267	-0.16759893	413.23218	236181	237098	229494	210571	211582	117343	248233	213277	183974	217674	213134	184954	151158	135855	194421	296410	380979	153612	235344	259024	279339	185038	179423	230587	173582	479290	321402	191330	223050	228484	175181	227936	238761	167140	230938	225547	226868	183112	365865	179510	265537	146012	4496	1343	569	137641	189827	1888	224193	218903	241508	227656	184482	843	190366	179803	142242	238669	136227	210227	216483	117410	184653	171887	134094	161873	152599	399355	339424	417478	582382	146434	173613	226157	337840	225182	329	153367	296477	169768	203895	107327	180779	191073	261216	161829	305768	145752	161025	368954	197232	206252	252488	150740	166036	1902	229592	234648	163357	241548	248592	274423	165204	233129	108038	202168	212302	735	220192	170198	Phytochemical	0.2	1.28	0.0
28	C25 H32 O5	413.23224	413.23264	-0.19414115	413.23218	33879	38155	35530	32853	38946	17539	27255	39438	32483	34348	38948	18174	43018	43488	27043	33747	36448	32922	51206	46762	53411	39687	26649	34163	35037	99163	22295	48071	36829	38654	33722	35123	41957	28726	47817	47857	38732	23438	32638	36323	40626	24782	3166	2575	0	30780	25230	2171	34418	32903	36199	37203	36738	0	35155	39033	20366	41624	26337	19968	44792	26694	32134	27111	36909	47198	37373	34320	86229	70462	99937	22461	26701	34692	20160	29731	0	22004	46078	53688	26014	24377	28058	36364	48963	24857	51404	23461	25539	44330	36300	37980	48724	37774	29997	1670	31665	33911	30217	60629	65189	44455	21977	36105	26471	37896	32468	1318	26637	30251	Phytochemical	0.2	1.28	0.0
24	C25 H32 O5	413.23224	413.23264	-0.123533465	413.2322	510092	504217	480377	495767	536052	299410	274598	470915	391977	618374	741459	291146	441007	286828	355260	542513	493142	440385	621053	859120	840800	393553	347490	479292	335425	1622875	277627	691868	450597	446027	379463	469969	540465	405744	731887	532874	554384	300687	518677	581016	682781	287149	13492	0	0	375968	380597	2740	474459	417816	491408	486329	406726	0	488861	402105	258723	499114	337844	302969	524802	383867	401167	367905	209118	458012	378784	535670	1310398	1376116	1723118	367410	403265	420729	374525	441465	0	295501	508317	346130	369020	278378	331506	453906	505322	302881	526424	331501	400650	530515	432742	415729	535387	359490	440996	3407	503075	508894	304443	444385	481780	582284	277294	555922	266388	437566	390518	2188	382641	396528	Phytochemical	0.2	1.28	0.0
22	C25 H32 O5	413.23224	413.2327	-0.13632454	413.2322	455885	445955	394540	447564	477414	265802	311389	427546	359021	499304	531177	297482	279042	296794	349560	512220	609421	368785	461889	614981	683431	365760	326743	430153	326808	1235166	358695	507382	435991	405224	370320	452613	499955	344501	535565	459938	465985	330932	639460	417638	580923	273323	12793	0	535	302989	359252	2611	427567	411988	453298	435843	361870	2887	374866	366475	260548	479731	274827	363395	442542	286950	339477	312950	212278	361238	306353	629387	962859	1048190	1491477	290281	286807	375480	467266	423842	636	271278	516689	294707	397646	241385	322409	331702	475135	317977	531173	299520	355900	561641	401205	405632	446449	298818	386312	0	393792	450460	330755	440584	418972	612909	302953	445619	225182	396148	404999	0	393063	344212	Phytochemical	0.2	1.28	0.0
16	C25 H32 O5	413.23224	413.23273	-0.18990254	413.23218	25598	27401	24263	28731	12936	9923	31224	34764	22798	22837	18400	22648	16059	13327	28942	41211	57278	8469	26296	19041	18770	20416	21176	28255	20792	23908	38017	13925	21565	33022	23982	31297	28527	14990	15059	28084	24415	25691	63571	9893	23768	15168	841	0	0	16361	20457	0	32157	26129	34843	30944	16727	0	20340	17511	19338	30312	22402	35601	29439	7905	15897	16739	15391	7546	18176	60710	20771	22247	29520	12305	16451	33328	54755	26200	0	17303	48741	18505	36086	18737	29269	16601	35292	18396	48141	12770	12968	57559	21999	24928	33136	13582	16339	0	23402	24516	16802	34385	36880	33519	18891	27204	8593	26197	26353	0	33256	10780	Phytochemical	0.2	1.28	0.0
26	C25 H32 O5	413.23224	413.2327	-0.13258311	413.2322	237262	219980	217342	215490	234855	132252	108595	253128	199774	256253	372284	126274	237373	156183	172989	246282	196105	230142	324025	432456	384400	220249	145535	251172	192780	805511	109375	377239	248656	234514	194851	228387	260025	183748	367041	264085	260156	142207	192308	302242	299660	149579	7699	0	0	217714	185197	0	212074	193921	234056	224596	192873	0	241672	218028	132743	230838	178864	117233	234574	201530	200192	175338	120293	223653	192682	212378	727615	656130	714153	177404	180439	227404	152161	204969	0	151274	238999	214587	158657	153570	177617	263971	237689	153230	256164	146382	168909	228693	200706	213021	293574	209240	220004	0	242132	255129	154419	277594	276467	305359	126113	272553	159103	190866	202812	0	171918	191201	Phytochemical	0.2	1.28	0.0
10	C18 H36 O10	413.23813	413.23947	-0.2892308	413.238	0	0	0	0	0	0	0	0	0	3641	8126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2707	0	0	0	0	0	0	0	0	0	0	0	16532	0	0	8226	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2427	0	0	0	0	0	0	0	0	0	0	145661	0	0	0	0	0	Lipid	0.5555556	2.0	0.0
12	C18 H36 O10	413.23813	413.23865	-0.11282519	413.23807	9488	10263	6286	7184	5325	5452	14553	0	6511	3631	26630	5019	1866	5424	0	2364	4975	2023	2832	2595	0	6697	2303	0	2839	1865	51056	29863	1951	2577	4700	5278	4380	5316	3247	0	4515	5846	4344	2699	29816	1499	7489	6246	4325	0	20140	9102	3229	3580	9263	10771	3291	4429	0	1835	5598	4438	10712	13533	0	16501	3466	4360	3528	5932	5370	4221	0	5063	23741	3532	5306	2040	2608	6304	3438	3477	2819	0	5653	6862	4333	3620	1785	2066	2769	5611	4971	11424	21641	12893	2860	4501	3198	10164	7291	2715	6561	3932	1956	2557	5707	0	22080	5056	1768	8560	3451	0	Lipid	0.5555556	2.0	0.0
14	C18 H36 O10	413.23813	413.23862	-0.18378034	413.23804	57968	61549	57204	62893	37080	37032	58179	25406	34952	37259	93354	47908	20669	37683	35207	27186	49721	18754	20995	20353	26240	33408	30152	30129	36423	34611	119078	73525	22926	36688	42516	44222	41440	27335	33420	33313	26432	44217	49824	49094	65447	32819	65567	66605	43918	45116	62316	65830	32408	34394	62422	65925	36809	55489	22501	30239	44942	41202	257201	69587	35597	124978	37066	38613	39315	35154	33680	50977	59290	32275	72183	37669	35621	34424	38043	39566	51442	41981	46227	93317	40647	46673	40956	31507	34006	35455	42913	48191	34606	52104	33072	34364	29768	37740	26885	63753	66654	38817	35126	46018	37998	29821	44131	39031	3458314	32308	22144	67873	42429	27260	Lipid	0.5555556	2.0	0.0
8	C19 H32 O6 N4	413.23947	413.23987	-0.14160144	413.2394	2133	1173	0	1812	0	878	0	0	0	0	0	761	0	0	0	2077	828	0	0	0	0	0	0	1621	1095	596	0	6879	885	0	909	931	0	1176	0	0	0	678	0	1094	0	0	0	0	0	0	0	0	1504	0	1065	1326	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1031	0	0	0	0	0	0	0	23587	0	0	524	0	0	0	1253	0	0	2690	64644	29960	2455	1597	1591	0	0	930	0	0	0	0	0	0	0	1511	0	0	867	0	Peptide	0.31578946	1.6842105	0.21052632
2	C19 H32 O6 N4	413.23947	413.24014	-0.034333587	413.23944	972	1451	1107	820	504	0	1014	608	0	0	902	602	0	295	1162	508	862	773	703	0	0	549	1145	935	1293	0	0	7233	832	801	695	1511	1277	910	0	0	915	477	1165	0	0	0	0	0	0	0	0	0	790	1000	925	1296	492	0	747	0	251	1702	0	0	695	0	0	470	0	0	0	1843	0	188	0	0	0	613	495	796	0	457	1353	65397	636	0	0	0	0	478	1244	559	794	3257	25200	10447	2523	4222	386	0	1100	876	0	0	0	925	567	512	0	1246	299	0	1629	0	Peptide	0.31578946	1.6842105	0.21052632
4	C19 H32 O6 N4	413.23947	413.24017	-0.09689541	413.2394	2723	2158	1596	2801	492	1726	0	1286	417	0	0	534	753	0	1488	1126	1261	754	393	0	0	1474	1006	2065	1765	0	0	0	0	606	557	909	1130	0	0	945	1009	1310	1482	0	0	0	0	0	0	0	0	0	0	611	1694	1733	830	0	1016	247	0	1796	0	0	1198	0	536	395	0	843	0	0	0	0	0	583	0	407	0	642	0	909	5860	73375	429	0	0	0	611	657	6335	721	561	5607	76356	17604	4849	5382	0	0	1815	2116	0	0	404	988	0	0	0	1466	639	0	1775	1546	Peptide	0.31578946	1.6842105	0.21052632
6	C19 H32 O6 N4	413.23947	413.2399	-0.17418553	413.23938	1205	1952	2058	1402	609	2447	462	0	0	0	1071	705	0	0	0	1004	1542	0	0	0	0	880	0	1836	1946	0	612	6366	1697	0	1017	1192	1182	914	0	0	1747	0	1433	0	0	0	0	0	0	0	0	0	2206	1341	1889	2802	0	0	654	0	371	3354	0	0	2134	0	0	0	0	0	0	1301	0	0	0	655	0	0	0	817	0	0	797	50333	0	0	0	0	0	0	1846	0	799	2844	78308	23548	2601	4798	0	0	2710	1504	0	0	0	883	0	0	0	1480	0	0	1159	0	Peptide	0.31578946	1.6842105	0.21052632
10	C19 H32 O6 N4	413.23947	413.23975	-0.121159196	413.2394	0	0	1867	0	0	0	0	0	0	0	0	791	0	0	0	0	0	0	0	0	0	1607	0	0	0	0	0	6024	1699	0	0	1486	0	1370	0	1019	0	0	1962	0	0	0	0	0	0	0	0	0	1259	1588	1446	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1304	1486	1022	0	0	0	956	0	11945	0	0	0	0	0	0	0	0	0	0	65106	15133	0	0	0	0	0	0	0	0	0	1240	0	0	0	0	0	0	835	0	Peptide	0.31578946	1.6842105	0.21052632
20	C22 H36 O7	413.2534	413.25378	-0.20906278	413.2533	9188	8589	11540	5729	5093	4074	62017	6391	2881	2537	1659	5390	5438	8897	5414	9143	12451	4615	6953	2414	1832	0	3284	4254	6889	11223	44739	5502	13987	14576	10433	16068	9755	12432	0	15774	7909	3430	13922	0	1816	3594	521	0	0	1546	1856	0	17970	9311	7695	6367	5427	0	7554	5594	3804	14682	3947	5000	12343	0	6161	3182	5658	7018	8593	15539	0	1518	0	4798	9020	15266	18905	8896	0	4581	4248	5262	2406	2851	84076	56778	3168	6768	9037	3808	7566	8650	9746	6110	6509	0	0	0	6193	10774	2210	6153	9479	10270	4451	11255	4553	10655	3012	0	5814	5939	Lipid	0.3181818	1.6363636	0.0
22	C22 H36 O7	413.2534	413.25375	-0.2843812	413.25327	12839	16702	21389	13133	15703	9688	178957	12977	9357	5037	6240	6363	15434	18482	13600	17817	13864	14690	18525	6258	7612	6786	9776	10445	16609	23305	117910	17897	27762	20810	19693	28251	22358	19066	6271	26139	22985	13951	15738	3495	7034	11010	3095	0	919	5748	3389	0	24107	10195	17501	12573	14041	833	18679	12178	9356	20815	10690	8198	17418	2744	15539	14123	17545	22196	22794	14524	3107	2592	2770	13831	16601	25764	18505	18947	636	9444	10673	16423	4051	7875	100657	97344	12500	16694	15847	10849	13787	14558	25962	25234	16036	5210	5171	0	15821	19913	7275	11068	12308	23698	9192	14317	14177	14467	9566	0	12375	11540	Lipid	0.3181818	1.6363636	0.0
24	C22 H36 O7	413.2534	413.25375	-0.22402465	413.2533	21245	20894	21329	19899	22741	17071	150270	22048	17917	11570	13874	7924	27597	28474	19518	14938	11621	29721	34604	14970	10211	8287	10358	13480	16209	5518	76402	31127	27339	19278	21890	24663	25582	21418	15964	26433	37397	13950	13754	9299	4038	13575	2655	0	0	9028	2817	0	22030	11714	25968	20091	17994	0	31945	10718	8705	20043	21350	5211	16352	8001	21650	13655	22988	43090	34066	8757	1697	3484	4176	19971	24771	27108	11079	22658	0	12777	6780	18012	4845	11837	51602	39873	14216	22411	15763	11520	22494	8431	56765	48636	18893	6544	8714	0	25081	21162	13352	12070	23616	25181	10169	23001	41607	17875	11525	0	13544	18250	Lipid	0.3181818	1.6363636	0.0
26	C22 H36 O7	413.2534	413.25372	-0.17788666	413.2533	8889	9241	10074	8770	8004	5816	29519	6017	5168	5977	5634	3874	12994	8635	6206	0	0	11718	16188	0	5682	5711	0	5048	8760	0	23673	22106	14048	8401	10431	12325	16306	12981	12591	12680	14248	6248	3908	5684	0	6330	0	0	0	6791	0	0	13916	6852	7170	7232	7480	0	19043	6122	7087	11225	18347	3902	10410	13319	13810	8390	5187	17204	14632	4046	0	3676	0	11635	9769	9380	0	10807	0	4522	4167	12466	0	9408	12704	7301	5376	8480	7616	3776	4558	3918	34125	35538	9522	3487	0	0	9172	7392	5993	4635	0	9779	5562	9276	56364	7098	4521	0	4645	7554	Lipid	0.3181818	1.6363636	0.0
24	C26 H36 O4	413.26865	413.269	-0.18608803	413.26855	151637	157225	139592	151806	189087	89075	155469	151732	145798	119345	180777	108517	103902	111639	125734	210057	294776	122226	212885	161631	144029	94802	106097	123173	134133	331720	176679	174674	162764	181329	129727	180717	184487	118869	143498	202902	176420	122499	302848	121513	160853	98320	3948	0	0	92910	116011	0	165601	151542	157450	156695	159027	0	189137	155734	114759	188675	95962	136898	179745	81289	122977	130037	99162	120299	143115	306824	234120	199224	294175	84528	121566	193411	196869	183403	0	98604	183068	135536	129988	90119	132990	115008	224321	151583	248848	105788	132668	268338	143288	155249	147767	116147	113235	0	158147	162969	130666	201161	227496	240482	99832	173439	82142	145728	187835	0	166356	110608	Lipid	0.15384616	1.3846154	0.0
26	C26 H36 O4	413.26865	413.26907	-0.16418946	413.26855	174424	161862	165447	160553	199732	93300	152148	177149	169073	125514	257188	108537	132239	127146	138759	205009	237158	129834	245773	205342	183202	130575	107730	139366	176599	507286	160731	274542	194173	220807	162499	197679	218632	137755	173686	254580	189598	140478	228969	160122	192627	133056	0	0	0	117902	115506	0	177576	166963	172501	171989	165486	0	211762	199438	114906	204030	126952	124036	188735	108705	122800	138495	97315	141645	163974	263949	346598	263591	325652	104307	138259	212396	172839	197059	0	120839	188740	192542	122409	119183	158826	174042	272455	171877	258319	126031	133499	213721	158729	166727	166364	156231	137345	0	175441	185357	137665	283701	302636	302585	111904	221470	126699	147609	215950	0	168689	115698	Lipid	0.15384616	1.3846154	0.0
20	C26 H36 O4	413.26865	413.26907	-0.18182537	413.26855	21586	15770	19516	16319	16697	5781	30771	11978	14655	10017	12715	19697	7307	17939	18652	24168	70323	10685	19035	7031	8771	8813	15473	11291	15802	15440	42259	11406	18301	19976	16023	19512	16648	7873	9040	22440	14093	19831	60228	3846	11481	12180	0	0	0	4784	10769	0	21434	18401	16311	17234	14891	0	12868	22475	17569	23261	10420	18579	16131	4332	9340	7930	17792	8769	14491	71517	10913	7372	16643	3862	9312	22314	46728	20529	0	12028	30963	8664	19715	6867	18216	0	39864	20118	38982	11059	15998	60309	16200	12858	19523	7812	7563	0	19500	17217	15814	35424	29307	26916	19743	11320	6173	14921	25606	0	27622	6036	Lipid	0.15384616	1.3846154	0.0
16	C19 H40 O9	413.2745	413.2751	-0.17350706	413.27444	2986	3696	2786	3429	3564	0	0	0	0	9382	12914	0	4844	0	0	0	2507	4015	0	0	2082	0	0	0	0	0	0	0	0	0	0	3730	4986	0	4511	0	3051	0	1860	3145	6564	0	1424	1623	644	2777	11539	1384	2891	0	2727	2200	3609	9614	0	0	0	0	34686	4485	0	8933	0	1246	0	5683	0	4129	0	0	0	0	3924	1404	0	0	838	0	0	4387	0	0	0	0	0	0	0	5991	0	0	0	3748	0	4071	3139	1279	3479	3986	0	0	0	4310	0	25208	218555	0	0	1228	0	0	Lipid	0.47368422	2.1052632	0.0
14	C19 H40 O9	413.2745	413.27502	-0.21013932	413.2744	15435	13247	15263	14801	8619	0	0	14802	2329	33519	37548	0	13596	1222	0	15949	7029	6991	0	6712	10352	19969	0	5448	0	0	0	0	2795	2103	4840	18935	13099	6970	29963	3694	10996	0	14178	36012	26767	1806	0	0	0	18166	28748	0	19422	5369	16275	11629	9301	16549	0	1188	6041	16130	83726	6595	0	27609	20698	0	1059	18036	0	11966	0	12097	18087	19619	6743	4127	6801	2584	0	0	0	0	0	0	0	0	0	0	0	13168	0	15088	30146	11213	19082	13517	10975	0	14065	15378	1517	0	0	9726	0	26035	551820	14037	0	0	0	6540	Lipid	0.47368422	2.1052632	0.0
6	C20 H36 O5 N4	413.27585	413.27658	-0.20832793	413.27576	2912	3062	2928	3021	0	2823	0	0	0	0	1155	0	0	0	0	3315	0	1112	698	0	0	0	0	7678	649	0	0	46563	0	0	0	0	0	0	0	0	0	0	0	0	0	744	0	0	0	0	0	0	0	0	4187	3259	0	0	0	0	0	1650	0	0	1855	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	333227	0	0	0	0	0	0	0	0	0	0	321931	128602	2234	22427	2391	0	4212	2921	0	0	0	0	0	0	0	1516	397	0	0	0	Peptide	0.25	1.8	0.2
8	C20 H36 O5 N4	413.27585	413.27637	-0.15368344	413.2758	5966	6136	5426	8359	0	6978	0	0	0	0	3304	0	0	0	0	0	0	0	0	0	0	0	0	4007	0	0	0	56923	0	0	0	0	0	0	0	0	1089	0	0	0	0	0	0	0	0	0	0	0	0	0	7784	6261	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	530518	0	0	0	0	0	0	0	0	0	0	655151	254164	2204	29875	2550	0	5611	5635	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.8	0.2
10	C20 H36 O5 N4	413.27585	413.27634	-0.18584356	413.27576	6358	5428	4002	4786	0	6881	0	0	0	0	2576	0	0	0	0	0	0	0	0	0	0	0	0	1662	0	0	0	44460	0	0	0	0	0	0	0	0	0	0	0	0	0	1205	0	0	0	0	0	0	0	0	9193	3332	0	0	0	0	0	1810	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	305088	0	0	0	0	0	0	0	0	0	1540	535807	153723	0	24888	1992	0	6184	4599	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.8	0.2
12	C20 H36 O5 N4	413.27585	413.27606	-0.13590705	413.2758	2106	0	0	1538	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9107	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1983	2069	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57641	0	0	0	0	0	0	0	0	0	0	230524	82647	0	9720	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.8	0.2
24	C23 H40 O6	413.28976	413.29	-0.2143559	413.28967	3957	3788	3747	2447	1290	0	91301	2828	0	0	5285	1198	0	16711	0	3308	3831	0	0	0	1953	0	0	0	1443	3775	73169	13627	3658	3786	3939	6009	3792	3037	0	5094	5628	0	2543	0	2184	0	0	0	0	0	0	0	3907	1254	2738	1575	1736	0	0	0	974	4276	1373	1080	3607	0	4243	0	10501	4570	4968	4885	0	0	0	1450	3899	3430	3203	4662	0	1145	0	7568	978	2225	31023	29539	0	0	2209	0	1419	2348	26050	10351	1292	0	0	0	2490	5215	1193	0	0	2852	0	3129	1771	2689	0	0	1287	0	Lipid	0.26086956	1.7391304	0.0
22	C23 H40 O6	413.28976	413.29007	-0.07447726	413.28973	0	0	1363	0	0	0	20824	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18714	1630	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1346	0	0	0	0	1374	2169	1097	0	0	0	0	3128	0	0	13038	11842	0	0	0	0	0	0	3191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.26086956	1.7391304	0.0
26	C23 H40 O6	413.28976	413.28986	-0.21634637	413.28967	2518	3161	4293	4478	0	0	96260	0	2017	0	5507	0	0	21735	0	0	0	0	0	0	0	0	0	0	0	6781	81458	25898	0	0	0	0	2364	3818	1977	0	3176	0	2459	0	0	0	0	0	0	0	0	0	3635	0	4425	3854	2466	0	0	0	0	3084	7615	0	5421	4689	8569	0	13627	7671	8081	0	0	0	2177	0	0	0	0	3474	0	0	0	15710	0	5161	18693	15796	0	0	2446	0	2648	1608	46292	31167	0	2362	0	0	4433	0	2995	0	0	0	0	0	19976	1301	0	0	0	1982	Lipid	0.26086956	1.7391304	0.0
28	C27 H40 O3	413.30502	413.30542	-0.22727278	413.30493	16951	16489	17929	16290	16926	6832	46675	31776	15403	2605	13279	16212	6569	13550	17762	28515	53789	4966	16912	4530	3035	5915	15594	15775	37073	17697	45107	17525	37523	50720	29121	33004	25424	15549	4091	57045	16807	27836	48530	4326	7386	15605	0	0	0	5864	4181	0	26929	38197	17754	18728	14374	0	22567	17783	13213	36394	9417	8092	28277	3085	5048	11759	17775	9835	25071	62689	11721	3473	4782	9842	19529	56966	32339	35024	0	15236	44550	22012	21021	11159	15228	10657	34816	19276	103513	8933	13016	68345	14178	12317	17883	12057	2977	0	19127	17044	14217	40159	47549	34873	15771	13902	8445	22236	28289	0	34209	2741	Lipid	0.11111111	1.4814814	0.0
22	C27 H40 O3	413.30502	413.3054	-0.11204826	413.30496	3545	4352	4721	4011	0	1409	12466	8721	1252	0	1259	6346	0	0	6516	9851	56140	0	1667	0	0	1753	3844	2532	10478	0	13140	1607	10243	20941	12908	8569	3776	3632	0	16763	4527	8699	50710	0	0	1556	0	0	0	0	0	0	12525	17456	4643	3731	0	0	0	1791	4879	7158	0	2085	5694	0	0	0	5177	0	2638	56128	0	0	0	1604	5401	19918	35585	11028	0	2643	13870	2200	6623	0	2358	1618	4548	4805	33768	1362	1794	59753	0	0	5468	0	0	0	3830	4040	3030	1347	2310	11320	5258	0	0	4656	2921	0	12736	0	Lipid	0.11111111	1.4814814	0.0
24	C27 H40 O3	413.30502	413.3054	-0.23368733	413.30493	19782	23620	18106	22383	11867	8415	39463	38043	10377	1955	5908	26375	1846	18926	25777	54981	128945	6246	12735	2787	2099	6030	14566	16343	27984	7670	40336	9703	40690	63954	37235	51603	20286	22320	1866	61212	17794	28917	120639	1628	6951	13098	0	0	0	3404	5916	0	42342	64068	25232	26045	12459	0	9219	9171	16543	42573	4790	11256	31860	916	5967	6979	23850	5446	19483	144406	6034	2079	4513	11927	29820	70478	79677	54365	0	22087	50202	14137	24107	5224	12853	6095	19893	21357	118409	11973	17419	148406	16262	17890	18071	2486	3307	0	23171	24632	13187	22885	18909	44682	19163	14535	4854	28209	17781	0	43031	1295	Lipid	0.11111111	1.4814814	0.0
24	C24 H44 O5	413.32614	413.32578	-0.28527898	413.32602	0	0	0	0	0	0	20676	0	0	0	1246	0	0	4180	0	0	0	0	0	0	0	0	0	0	0	0	17049	4496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4699	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2521	3631	0	0	0	0	0	0	2507	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.20833333	1.8333334	0.0
26	C24 H44 O5	413.32614	413.32605	-0.2442691	413.32605	0	0	2954	2483	0	0	97996	0	0	0	6458	0	0	23541	0	0	0	0	0	0	0	0	0	0	0	9838	83062	16371	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2361	0	0	0	0	0	0	0	0	0	0	0	3547	0	20744	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5818	0	0	8063	12903	0	0	0	0	0	0	7031	1722	0	2819	0	0	0	0	2314	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.20833333	1.8333334	0.0
28	C24 H44 O5	413.32614	413.3259	-0.3200313	413.32602	0	0	0	0	0	0	20850	0	0	0	3276	0	0	2773	0	0	0	0	0	0	0	0	0	0	0	0	13772	12082	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1472	0	0	0	0	0	2454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5757	0	1716	2521	2084	0	0	1235	0	0	0	11438	9053	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.20833333	1.8333334	0.0
14	C16 H15 O12 N1	414.0667	414.06747	0.20560306	414.06677	6567	6108	7605	4233	25320	8511	0	0	24150	0	0	0	47805	4902	5448	0	0	24375	13338	0	4761	0	6144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7884	0	0	0	0	0	0	0	0	0	0	14829	0	26403	27345	5502	0	0	0	0	0	55599	35943	7437	15246	6286	0	0	0	0	0	0	0	4281	0	0	0	0	0	3165	0	0	0	37125	0	4707	11193	7737	0	0	0	0	12885	6588	0	0	7887	18417	32976	35295	0	0	0	0	0	24057	0	0	54015	Phytochemical	0.75	0.9375	0.0625
18	C20 H15 O9 N1	414.08197	414.08246	-0.07774671	414.08194	22078	21096	18216	13701	22217	10906	5860	2750	17094	55473	37385	3158	34046	11338	1790	7125	5638	27138	25391	28001	44283	61124	7417	10131	4682	12126	5612	15121	3640	1406	2176	0	6918	0	75578	2171	5549	3659	5098	41243	49845	9573	972	0	0	21058	32734	515	2939	2123	17012	18054	13068	0	25084	15769	9472	5531	4415	8718	4553	24260	34656	21156	7990	28456	9594	7709	23142	17793	49797	2592	1643	0	2917	0	0	3560	15478	47485	9699	24370	6567	18196	21575	13249	14556	14965	13174	14641	12664	13883	13056	65413	68582	0	18029	11201	15309	24531	20960	7941	3409	6793	16305	7979	13170	0	4908	26742	Phytochemical	0.45	0.75	0.05
24	C20 H15 O9 N1	414.08197	414.0823	-0.152452	414.0819	5580	4373	3221	3459	7761	4388	1275	0	7096	13586	4306	1550	6232	2301	2322	3275	0	8046	8784	7485	14226	21483	4135	1297	0	1835	0	1464	0	0	1267	0	2884	1283	17102	0	3096	2952	1735	8010	14073	1725	0	0	0	5834	18517	0	1769	0	6395	5167	5930	0	10437	4699	3814	0	1644	2804	2484	5218	10877	11535	1794	7369	5249	0	6597	5462	8431	802	0	0	0	1159	0	2088	6750	21735	4055	8386	1886	3956	7713	5774	6538	2178	3835	3689	2669	3044	4556	29978	43413	0	6092	3525	5533	6939	3950	1494	0	2427	7703	1237	4414	0	2069	12400	Phytochemical	0.45	0.75	0.05
28	C20 H15 O9 N1	414.08197	414.08234	-0.16517162	414.08188	4094	4197	6029	4121	4318	3949	1090	0	4757	15889	3265	1301	5019	3307	2137	2461	0	7964	5806	0	9693	13476	3113	3054	2148	3101	0	1362	0	0	0	0	2150	1617	13660	0	1983	1851	2453	6442	10567	0	0	0	0	7211	9848	0	1061	0	4623	4693	4230	0	9026	3932	1877	2025	1348	3106	2067	6611	8044	7535	2044	4705	2797	1458	3305	4924	5944	0	0	0	0	1952	0	1153	3846	13711	3934	2908	2097	3253	4428	2460	3104	3435	2656	4811	2254	5231	3654	17051	24949	0	5825	3885	3325	3614	4371	2625	1000	0	4640	3572	3978	0	0	6966	Phytochemical	0.45	0.75	0.05
26	C20 H15 O9 N1	414.08197	414.08234	-0.2001588	414.08188	4419	2983	5160	3950	5335	4524	0	0	6037	17736	3755	0	7687	0	0	0	0	10605	9491	5295	10563	16099	0	0	0	0	0	0	0	0	0	0	1994	0	14210	0	2288	0	0	9873	9719	0	0	0	0	0	9029	0	0	0	4710	3786	3539	0	9782	0	0	1961	0	0	0	5142	11827	7918	3108	6379	3042	0	0	4427	5006	0	0	0	0	0	0	0	5778	15761	3769	4342	0	0	0	0	2918	0	3268	5403	0	2017	0	21961	28348	0	5002	5025	2603	4069	0	0	0	0	0	2929	0	0	2561	11966	Phytochemical	0.45	0.75	0.05
12	C20 H15 O9 N1	414.08197	414.08255	0.06644125	414.08197	2692	3503	5713	5232	10530	4241	0	0	12606	20479	8660	1479	12114	3274	1120	1474	0	11667	8225	8666	20028	12715	3775	0	0	7294	0	0	0	0	1812	0	1789	0	30399	0	2292	1032	1956	14536	22537	1409	389	0	0	6917	12073	0	0	0	4804	4483	4245	0	8314	9365	2496	2110	0	0	0	8479	21257	9121	2806	12058	2992	0	16224	13785	30116	1152	0	0	0	1319	0	0	7024	0	3815	6829	1453	7515	11593	3862	5483	2325	1885	7355	0	2201	2686	24060	17621	0	6277	4561	9125	10670	9209	2466	0	0	0	0	5665	0	1955	14356	Phytochemical	0.45	0.75	0.05
22	C20 H15 O9 N1	414.08197	414.08243	-0.14669609	414.0819	9897	9928	7173	9029	9387	6227	1507	3817	13151	21355	11810	2320	15798	5170	3047	4719	1433	12827	9412	9407	15818	29936	4354	3760	1678	2277	3535	4578	1292	1699	1868	0	2746	1928	20670	1440	2595	3499	2751	18643	21290	4475	0	0	492	15794	27270	0	0	1991	8537	7673	9686	450	10941	8517	6432	4740	2024	3885	4199	10532	16989	11414	3477	10851	5680	3299	9545	8872	12873	2270	0	0	1884	0	383	1721	8148	20712	8624	11133	1538	7622	14864	4473	6454	6138	4342	7000	5498	7836	6551	40331	50313	0	12356	8853	9282	11953	9556	2946	1521	3215	13092	6285	7661	0	6311	14536	Phytochemical	0.45	0.75	0.05
20	C20 H15 O9 N1	414.08197	414.0824	-0.07401749	414.08194	17255	12457	14650	13654	16821	10170	3317	3251	20774	36822	18796	3446	35115	8618	4771	4541	4081	19834	14631	17002	28955	56561	4881	5742	3080	14303	3759	8316	1963	1480	2829	1932	5421	1602	48638	1404	7102	3863	5525	21761	28148	8559	1048	0	0	18877	38077	518	4076	2770	13941	12380	12799	547	20610	18012	8052	7105	5914	4698	5816	18710	29156	18442	7037	23030	9144	4452	18731	15716	25287	2720	1446	0	0	3100	0	3405	10343	37910	9485	19504	3402	11379	13413	7672	11847	10653	7470	9102	9552	8143	6480	66742	61871	0	13731	12173	12702	17377	17059	5341	2327	3629	13461	8464	10785	0	2886	29457	Phytochemical	0.45	0.75	0.05
16	C20 H15 O9 N1	414.08197	414.08246	-0.034435216	414.08194	19760	18870	18985	14812	21825	9644	1443	2263	21737	61708	26697	3332	34346	6300	4538	6205	4353	28229	20965	26868	50768	55757	3794	7235	3940	23735	4881	13234	3470	0	2200	4642	5567	1611	71513	1856	6738	4344	4411	34782	46117	7171	507	0	0	25217	39742	0	4635	1880	14653	10976	13731	348	18721	16190	8335	7002	3999	6197	0	24914	42476	20112	8014	27997	9568	5552	26812	30112	49738	1847	0	0	2353	1281	0	2160	16243	47329	6921	19646	5432	17277	24960	8826	13591	7956	7683	0	17342	12698	0	58508	71606	0	11976	15212	13003	26605	21987	5093	2501	3021	13677	0	13740	0	3843	29868	Phytochemical	0.45	0.75	0.05
16	C17 H19 O9 N1 S1	414.08533	414.08588	-0.053136162	414.0853	7929	7554	8685	6011	9094	6879	1657	1867	5680	30751	10730	1988	16125	3088	2858	2951	2151	13213	10308	13472	18559	26938	3132	4155	4182	3236	3482	7390	0	1532	0	0	4054	0	30874	2850	6365	2377	2803	18613	11742	3041	0	0	0	8700	7364	0	0	1747	8719	8155	6136	0	11027	5070	3822	7413	7181	4675	0	20323	6148	9314	4049	7930	3613	2455	10787	11195	7146	3088	2117	1475	2511	1184	0	2309	3398	15711	3224	4708	4681	9158	2992	3195	4073	5137	4004	0	12645	21081	0	19311	39743	0	7384	10626	3757	3930	5848	5003	2506	7006	4859	0	3756	0	2211	13342	Organosulfur	0.5294118	1.117647	0.05882353
14	C17 H19 O9 N1 S1	414.08533	414.08588	-0.017957501	414.08533	9323	8039	5151	8924	7987	3681	2280	1915	6598	28745	19943	2659	11526	2445	1790	5160	3299	10007	6567	20046	15374	39996	3277	3406	0	7274	2455	13531	3040	1417	2000	0	3406	0	32709	0	3601	2772	3706	22730	21625	2389	0	0	0	8700	9976	0	0	2793	3250	8999	6542	0	9737	5071	3088	5264	8557	0	0	21932	6419	8653	2449	7803	4869	1848	0	11184	9835	1336	1567	0	0	1697	0	1924	4677	22717	3364	9921	3826	11106	5890	3650	4645	4111	4171	6828	11825	15707	10107	23568	32767	0	8021	6192	4730	6947	3172	0	2710	6904	0	3699	6506	0	2938	10156	Organosulfur	0.5294118	1.117647	0.05882353
18	C17 H19 O9 N1 S1	414.08533	414.08585	-0.04060327	414.08533	7194	4372	7046	4840	2547	5329	1452	4145	3864	7962	8781	2323	8086	3715	3873	1603	2570	8546	4087	13362	7700	15582	1546	3858	4977	3703	0	3835	0	2223	1504	0	6537	0	19744	0	3232	2773	0	10683	8447	2734	0	0	0	5166	5192	0	2293	0	3467	2794	4436	0	8796	5640	3075	3335	3495	1830	3306	13232	4884	4879	3701	7219	3203	3368	6939	6008	5031	1378	1889	0	0	0	0	1377	3000	11926	1495	4061	3474	5468	3742	2547	3347	4032	1817	2264	8264	15931	6271	11774	21688	0	6314	5867	3148	4890	3990	1709	0	4589	6046	2911	4186	0	1300	5423	Organosulfur	0.5294118	1.117647	0.05882353
20	C17 H19 O11 N1	414.1031	414.10364	-0.00779205	414.1031	10252	8028	7679	10108	23542	13363	1248	6153	20001	7424	5720	8194	37642	5326	11043	3826	7012	34377	16472	8457	21106	10851	12516	5148	2546	0	1546	0	2562	1794	4470	2270	5489	4993	4986	3898	6407	6196	3474	7686	10605	11605	1159	772	775	10496	31728	950	4610	5261	13642	9867	17193	428	25676	21081	10951	3173	6555	5721	5540	10426	28488	22299	8448	20102	8779	3854	8546	2134	7525	5306	3300	4992	4570	1500	842	7932	4822	11230	6601	10515	2472	0	30333	8986	5638	9439	8990	3888	3633	3309	9327	17195	9294	0	12127	10636	15047	13186	17165	8005	6157	5802	13304	5559	19479	0	1542	31549	Phytochemical	0.64705884	1.117647	0.05882353
8	C17 H19 O11 N1	414.1031	414.10373	-0.06609652	414.10306	33840	33042	27157	36421	44445	22074	11302	19342	52605	43480	38139	25745	89575	12455	18564	20876	33441	56130	62978	41933	74486	56081	29837	25476	4684	2426	11690	7537	16628	18481	17469	18070	28065	16140	58219	14936	28467	17083	29256	28669	71316	35424	651	0	0	24506	59527	0	19564	21339	35376	38029	30055	0	71818	60729	26127	19702	16495	30901	26299	35060	95702	72857	29841	51497	30054	34520	16875	8317	14446	15053	13550	15442	19665	14140	0	14615	23686	24631	18430	16455	8956	9201	63121	23464	19203	35340	31078	33664	0	15772	33231	59407	44271	0	32431	40238	55542	61496	64502	34001	17753	26010	24952	24441	50791	0	8945	90423	Phytochemical	0.64705884	1.117647	0.05882353
6	C17 H19 O11 N1	414.1031	414.1038	-0.048842493	414.10306	8240	10771	9311	8214	13555	5477	3198	6493	19960	10712	11437	6588	34696	4128	4162	9320	9106	21387	22102	9885	20126	14454	9378	7145	832	1707	3604	0	4336	4673	4955	4065	9173	4889	13182	4584	7274	5245	7708	5436	16923	11868	0	0	0	6966	13727	0	5016	4552	10904	10387	11974	0	24750	24052	7640	6398	5422	9520	8953	6320	35960	25960	9541	19308	13266	12516	6545	2501	4504	6212	4238	3997	7755	4497	0	4340	6525	0	5108	4526	1983	1630	25716	9945	4565	13968	11190	10734	0	3136	9558	14410	12396	0	9094	13324	15201	26025	25217	10640	6165	7375	0	6545	20755	0	3235	36272	Phytochemical	0.64705884	1.117647	0.05882353
16	C17 H19 O11 N1	414.1031	414.10364	-0.038435563	414.10306	40463	42655	46642	41183	64807	53006	10855	25642	87291	25422	39735	31917	161162	30600	36247	22954	31587	124208	104132	45109	72693	58688	56224	21536	10503	4603	13468	10914	29138	18995	20954	23932	35712	18434	39952	19123	32278	26445	22959	28089	57412	39480	3475	525	768	31955	84213	1087	18506	20872	42761	38005	53798	509	108146	85560	36097	20896	33780	29283	33430	48638	113738	90337	38011	77402	42293	22903	40137	12998	26012	24611	17932	18198	28211	14264	722	28464	30194	51261	27447	40693	10099	6988	91092	45177	21989	39274	39344	0	6460	27374	35886	73272	49302	1049	41401	43628	65036	59008	75292	45375	26826	27241	53899	38109	86741	555	12892	120525	Phytochemical	0.64705884	1.117647	0.05882353
18	C17 H19 O11 N1	414.1031	414.1036	0.01441551	414.1031	27916	19530	22241	16619	35135	28523	6921	12577	38954	10162	15602	16232	83121	20080	15659	12332	14482	62695	62514	17013	40183	24210	27130	14227	5435	3070	5750	4576	9543	10879	10105	8022	13928	10910	10172	14060	17595	17969	12733	12478	28469	20895	2152	387	808	28991	53586	1159	8046	9323	20590	20951	28570	233	51462	46946	21177	8661	11062	11345	15170	25022	54012	46085	20757	36381	26570	12544	23072	6450	9364	10546	11625	9687	14579	5749	658	15325	12115	26115	11436	23555	3863	4217	49185	23814	10775	24065	21337	9225	4792	14414	19607	28280	22778	655	23161	30410	35678	32015	38813	18187	13065	11371	29552	12569	37570	442	7331	64136	Phytochemical	0.64705884	1.117647	0.05882353
22	C17 H19 O11 N1	414.1031	414.1037	-0.011101882	414.1031	3590	5248	6504	4462	10424	6788	0	2223	12383	5124	3157	4997	19459	6003	5025	2961	2520	20891	8808	2181	12249	6021	4513	4358	1567	0	0	1391	4036	1900	3229	0	4269	1976	2129	1842	3684	3699	1886	3633	3772	4333	0	0	762	5134	20747	0	0	1614	4989	5179	8678	375	20264	12763	5076	0	2732	4034	1327	6943	16552	12172	4379	6568	1800	1914	5158	0	3219	1865	2486	1712	2101	0	706	2616	2329	6328	3276	5422	0	1239	12914	5334	2605	2245	6415	1642	0	0	0	9449	5549	0	4847	2999	12371	8487	6700	4587	5346	3127	6845	2776	10065	0	0	23974	Phytochemical	0.64705884	1.117647	0.05882353
12	C21 H19 O8 N1	414.11835	414.11893	-0.030979758	414.11832	22577	21702	25017	26826	21056	14700	6965	9651	26632	87781	56834	6352	29614	11296	4760	8978	7136	27853	20933	73057	87046	47240	14299	8761	6430	65441	4290	38032	5799	4388	5460	4466	12796	3291	135587	3550	8160	7627	12672	56366	75797	10008	0	0	0	32573	60148	0	6358	5563	26739	24168	14318	0	26996	16853	8835	10791	7593	14832	0	43039	37259	19536	8600	28102	12457	12002	89251	114281	161712	5891	6829	4625	5962	4105	0	7460	17806	36453	13999	33894	10076	32523	22746	9386	18569	9123	10692	30537	12420	23616	19211	56610	56855	0	24262	26999	25200	21429	20173	9081	4559	12806	21984	10579	16888	0	7968	33610	Phytochemical	0.3809524	0.9047619	0.04761905
14	C21 H19 O8 N1	414.11835	414.1189	-0.078700654	414.11832	34919	32657	36950	39135	33775	18262	9164	11099	32165	127835	89164	5831	41676	21583	8782	11793	16036	34102	36737	79357	119699	90734	14180	15292	14951	107564	10857	61544	9242	8269	9604	10607	14573	5500	166168	10028	10921	9145	13045	80105	82475	8512	0	0	0	50127	78951	0	10289	7282	36638	33061	19889	0	40980	23186	14926	18255	12594	14917	0	50459	50947	32979	16057	34363	18601	14281	119071	166266	167099	8852	4848	3789	10864	8272	0	8246	25170	60202	16607	40807	14023	44556	36954	15823	24462	15165	14594	21312	26542	32131	25809	74586	108406	0	43930	35867	25641	35475	27350	15518	6852	13945	37407	15786	19313	0	10138	39373	Phytochemical	0.3809524	0.9047619	0.04761905
10	C21 H19 O8 N1	414.11835	414.11893	-0.0387991	414.11832	16076	22076	17856	13028	17424	9474	3882	3785	19186	78446	47071	5495	23589	7476	4815	4496	5662	15921	16998	55302	64542	39396	7052	6722	4570	46379	3331	23694	3475	2702	4845	3923	6315	4427	89913	4727	6862	5067	6903	32792	46841	6336	0	0	0	26687	43870	0	8292	4773	19578	15193	7302	0	14938	12235	5549	11000	4656	6755	0	25465	23725	15953	6908	18966	7422	6714	70945	67913	90596	3309	3841	1223	2571	5408	0	2459	12009	24117	7345	17857	4346	17153	14705	7013	9903	9096	5230	14345	9212	12197	10307	39000	49710	0	15685	14192	14808	16739	16412	6786	2906	8572	15115	6214	13293	0	4347	22977	Phytochemical	0.3809524	0.9047619	0.04761905
16	C21 H19 O8 N1	414.11835	414.1189	-0.027230442	414.11832	47935	50081	46411	48472	41446	26130	11289	10884	38094	183258	112615	11735	56042	25672	14458	14097	16898	45579	53879	118670	144771	106921	19609	30476	16208	137405	8289	69843	10697	12063	10703	13389	22126	9599	217124	9586	26445	14510	13076	106660	112313	16820	1066	0	0	69766	85307	0	16599	10864	50794	43255	33087	0	39846	32534	17255	19833	19176	19561	21503	68825	64948	37253	14517	45287	22332	13567	148163	182982	215490	9544	7596	3385	8931	7532	0	11414	24494	93867	16242	55273	14194	76523	41934	17561	30541	20040	21134	42774	32636	42778	36148	122455	144653	0	48872	40363	34962	33230	30990	22108	9069	18430	52453	18808	28837	0	19527	52014	Phytochemical	0.3809524	0.9047619	0.04761905
18	C21 H19 O8 N1	414.11835	414.11884	-0.07728874	414.11832	44591	40650	41983	39839	40427	22795	11916	17654	40387	184200	104163	9960	55443	19541	11644	20097	15269	40735	53550	104266	128443	105883	20691	23578	15429	117316	13461	80225	16282	7060	14619	8691	24973	11519	197609	9266	27160	9842	19259	104483	115122	18033	1379	0	0	67968	81418	0	17628	5646	44037	45666	28248	235	50854	30211	14063	25626	16278	18180	15373	71418	68449	34261	15744	44089	26316	14479	125020	163265	191145	11407	7121	6128	9933	7526	0	6339	27014	95487	14435	59929	14767	70252	46557	26603	27978	22019	23443	26958	45117	45018	38214	117620	157913	0	51487	33965	32819	34532	31931	15531	9356	21420	41309	15650	24333	0	12595	47973	Phytochemical	0.3809524	0.9047619	0.04761905
26	C21 H19 O8 N1	414.11835	414.11865	-0.18225984	414.11826	3664	3905	3102	3366	3769	0	0	0	3795	20482	7676	0	0	0	0	0	0	0	0	5077	11440	13701	0	0	0	0	0	5115	0	0	0	0	2307	0	15158	0	0	0	0	11366	13459	0	0	0	0	0	15313	0	0	0	4605	4142	3008	0	0	0	0	1917	0	0	0	6797	5014	2946	0	3885	2708	0	8444	10947	16128	0	0	0	0	0	0	0	4227	10463	0	4285	2511	4724	0	0	3710	2527	3028	0	2153	4339	4881	15894	21959	0	6188	0	3249	0	0	0	0	0	7388	2099	0	0	2690	6682	Phytochemical	0.3809524	0.9047619	0.04761905
20	C21 H19 O8 N1	414.11835	414.1188	-0.0927103	414.11832	30878	37850	32301	29648	27071	21322	7441	7438	31886	123763	71518	5453	35831	16933	8774	13964	11774	33673	30278	77840	101874	83007	15575	15777	7675	77186	6659	56272	11208	2100	8257	7763	17889	6994	136367	6274	20299	9210	13141	79185	83437	13378	1353	0	0	61596	85828	0	14836	8545	34207	28842	24096	330	36822	19967	13220	20652	11528	10323	13877	53166	52518	35860	12840	31428	23363	10938	71392	96615	120278	6032	4316	4020	8483	5210	503	8274	19557	78577	18716	41809	11265	58686	30015	20009	16026	19052	14487	21874	30703	33271	24854	92045	97656	0	31732	29200	26918	26351	22868	12235	6892	10903	42075	14973	25216	0	14123	43343	Phytochemical	0.3809524	0.9047619	0.04761905
8	C21 H19 O8 N1	414.11835	414.11902	-0.005428172	414.11835	10056	9178	9148	10556	8588	4588	1951	1469	9472	40925	22192	2872	14575	3299	2534	4638	2957	8314	10439	24163	34464	18743	4264	4382	2201	17849	2638	15776	1462	2445	2279	2616	2730	1235	49941	1664	4711	3495	4048	15305	27670	3029	0	0	0	12109	21937	0	2863	2586	11649	9050	4916	0	11522	9973	3764	3981	3081	3179	0	16289	14867	12818	3200	10576	2925	3470	27616	35556	49354	2891	1941	996	1950	2025	0	2208	7551	21736	4787	11636	2494	10265	6675	0	7174	2500	5580	7964	0	8603	8731	26619	27776	0	10587	10508	11234	11707	6335	3855	1301	2677	9678	3029	7255	0	1568	11874	Phytochemical	0.3809524	0.9047619	0.04761905
6	C21 H19 O8 N1	414.11835	414.11908	0.062016845	414.11838	2401	3134	2410	2502	3079	1322	0	1074	5863	10538	8730	715	5741	1546	0	2176	0	3936	4102	6600	12498	7182	2058	902	519	5806	0	4723	0	749	840	0	1129	0	16552	0	1291	1437	1134	3154	11592	1426	0	0	0	4521	10664	0	0	0	3326	1943	3261	0	3588	4260	1471	0	1405	1479	0	4795	6642	2472	887	4918	2780	0	11539	9747	20207	811	615	0	0	0	0	460	2507	5321	1873	3193	0	3846	2864	0	1905	1488	1432	2217	0	3072	1428	8755	9327	0	3017	2435	3987	4042	5618	1072	854	2531	0	1026	2235	0	1214	4631	Phytochemical	0.3809524	0.9047619	0.04761905
24	C21 H19 O8 N1	414.11835	414.1187	-0.14678203	414.1183	6565	6866	9731	8884	4468	4593	1724	0	7429	32115	16547	2404	7258	2192	3909	1613	2781	7637	6664	11235	18684	19365	2644	4299	0	12232	1429	12205	1881	0	1882	0	2501	1773	25119	1324	4335	2948	2260	19325	23007	2622	0	0	0	13559	22464	0	1673	2262	7910	5841	3628	0	8522	7708	3726	4498	2375	3165	4213	11028	14066	5637	2905	7789	4712	3967	19591	16279	32348	1770	1257	0	0	2449	0	1128	4055	20432	3656	12984	1561	12425	6944	3932	5981	2390	3522	3887	3025	4325	4807	27650	34987	0	7245	5517	4496	6251	6492	3098	1639	2428	13687	4676	2488	0	1650	12001	Phytochemical	0.3809524	0.9047619	0.04761905
22	C21 H19 O8 N1	414.11835	414.11877	-0.14703487	414.1183	13759	18867	16376	15361	18483	11894	5198	6352	16824	64864	45643	5669	14102	11570	5369	6792	8203	21226	15978	33458	44358	56669	7151	8619	6364	29903	3128	25306	3535	2414	3785	0	5653	3578	70985	3827	4363	4623	5845	38360	44829	5562	0	0	0	39695	41704	0	2972	3466	11763	18237	13465	314	16564	13454	6348	3956	5500	6662	8037	34738	26290	18847	8750	20993	8672	5408	43129	58319	72790	3666	1903	1450	3047	3844	0	4472	13628	42929	5482	28567	7957	26697	17144	8094	10621	12333	10325	13714	12670	13031	10427	64484	71285	0	16442	21860	12501	13794	13026	5387	3510	9403	21948	6150	10296	0	6219	25779	Phytochemical	0.3809524	0.9047619	0.04761905
20	C18 H23 O8 N1 S1	414.1217	414.12222	-6.48073E-4	414.1217	8760	7252	9560	7245	5183	6018	2872	2889	8121	17033	10606	3060	10200	2509	3780	7399	5431	8323	6416	19683	17240	21878	2872	6601	8896	11480	0	5715	3036	3615	3238	1769	4092	3875	21195	4444	4397	3209	2409	16674	9564	3767	0	0	0	7804	5860	0	3312	3945	9542	7287	5698	0	6656	3098	2242	5804	7927	4721	5071	16986	3266	5527	4728	7739	3724	2199	15090	15877	7609	3290	2952	3516	2787	2489	0	2992	4229	10324	3492	6265	6775	12740	4490	4133	5318	3342	3803	4179	15466	21752	9340	19377	19952	0	6591	6389	4626	3219	5304	3663	2279	6546	6447	7701	2336	0	2678	8128	Organosulfur	0.44444445	1.2777778	0.055555556
26	C19 H19 O4 N5 S1	414.12305	414.12384	0.5183947	414.12326	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15713	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20542	3703	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3266	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.21052632	1.0	0.2631579
24	C19 H19 O4 N5 S1	414.12305	414.1237	0.19358896	414.12314	1196	0	1169	0	0	0	0	1701	0	0	0	5219	0	0	38168	0	40785	0	0	0	0	0	3280	0	1302	0	0	0	0	3420	0	2610	0	0	0	3704	0	42239	32853	0	0	0	0	0	0	0	0	0	0	1546	0	0	0	0	0	0	0	1517	0	0	0	0	0	0	0	0	0	21567	0	0	0	0	0	0	4497	0	0	3360	0	0	0	0	0	0	0	0	1442	0	0	0	0	0	0	0	0	0	0	2134	0	0	0	0	2869	0	0	0	0	0	0	0	Peptide	0.21052632	1.0	0.2631579
4	C18 H23 O10 N1	414.13947	414.14023	-0.04422791	414.13947	7899	9444	6686	7201	6303	4049	3586	7867	9648	8464	7871	4894	13210	4111	4056	6945	8046	10766	11049	9050	11477	12445	7754	7694	2986	3788	4315	0	4087	5183	5749	4813	8732	4218	14463	6358	8320	3694	11921	6226	12656	5489	0	248	0	8232	10994	0	5854	7654	8207	6692	6298	382	12528	9899	4296	7027	5589	7892	8707	4879	32544	9409	6337	9487	5119	9034	5743	3991	6564	5982	5480	6247	2110	6099	0	3520	5103	0	4533	4424	3570	2035	12046	6031	3979	5831	5471	6801	2972	5810	10450	5826	6167	0	7168	10841	6701	9581	11903	7908	3700	9336	6105	6790	8171	0	2585	32082	Phytochemical	0.5555556	1.2777778	0.055555556
10	C18 H23 O10 N1	414.13947	414.14005	-0.05469094	414.13943	240726	238859	234644	215926	161974	137491	128284	281221	227888	458461	285930	181176	305945	88972	182016	243633	203379	339768	339275	506059	532560	355493	239344	280164	101481	183843	137099	141965	232113	231723	194175	207966	265025	182752	545590	229976	244379	165899	201111	337706	346859	172960	8209	791	511	306378	372383	0	210624	248181	239567	233442	155199	1602	360868	199497	112941	205299	264020	220337	303152	272782	279369	258090	110019	201411	157958	207583	370546	228630	310075	232343	204855	231103	169117	180864	0	157358	174881	163162	165608	182028	131915	134966	237824	159585	142325	144171	152934	186046	122074	198142	280995	244040	315500	1882	241826	313042	175493	144076	174948	276731	165659	311272	269642	194839	198128	621	105175	309268	Phytochemical	0.5555556	1.2777778	0.055555556
26	C18 H23 O10 N1	414.13947	414.13986	-0.17360456	414.1394	6191	8455	11145	10292	8016	8917	1713	8089	9382	18868	4884	5393	10305	2765	0	6142	5344	10157	5524	21015	24857	4048	7200	7875	0	7988	2465	3650	6920	0	7123	5461	4937	6881	12904	6106	4600	3918	4894	11273	13840	0	0	0	0	9512	15752	0	7011	10065	6170	5620	4841	0	16065	0	0	4450	5571	6540	4381	9048	6064	6684	4261	4242	4391	3278	14397	18282	19742	6885	5816	9299	8482	5448	0	7042	3989	0	5542	8917	3281	4093	8518	0	3101	3739	3659	2013	3352	1534	5756	2353	6188	0	7462	7251	7540	4207	0	0	4647	5877	7138	5214	5939	0	3474	10525	Phytochemical	0.5555556	1.2777778	0.055555556
28	C18 H23 O10 N1	414.13947	414.13992	-0.1447867	414.1394	8843	8555	11254	8266	10318	9006	3649	10259	9503	21280	10134	5087	10950	4219	7453	9163	8106	15323	10993	26517	29620	4678	7329	9816	4366	12367	4170	6608	9569	5281	7590	5546	6133	9342	19094	7494	6947	4694	5557	13724	12925	5042	0	0	0	15881	17388	1231	9778	11434	11819	11597	6419	0	8644	5649	3453	6693	5455	6213	8988	12260	10620	8616	4446	8631	5395	7037	23619	25580	30721	9862	7682	9264	8013	6575	0	6486	5855	4059	5180	6480	6262	10924	11421	5559	4221	5808	5747	4215	5900	6985	9512	4707	5259	0	9720	14925	9658	5254	4874	7513	6093	8292	11239	6792	6572	0	3609	11700	Phytochemical	0.5555556	1.2777778	0.055555556
6	C18 H23 O10 N1	414.13947	414.14014	-0.07966701	414.13943	38384	40837	34982	35727	24928	18531	18185	43764	40141	49869	45583	31908	57904	14768	24124	44557	40369	49529	48989	53436	81974	107658	36206	45262	12179	15229	18397	17135	32084	36015	33892	36288	42569	31952	71040	32992	34865	27372	48126	36481	60014	29301	0	0	0	37100	65663	0	34121	37343	41854	38409	25263	477	48981	36422	18324	32417	30478	39981	44275	32314	58291	49021	21179	42452	32494	49040	33361	24358	38609	32498	31336	34571	21002	29308	0	23796	25341	22017	25851	20918	18884	13688	47596	28116	23819	26762	32056	40142	14508	25881	48622	38781	41916	0	38134	40742	25173	33819	39061	49475	25983	46372	31597	37465	34462	0	17638	128950	Phytochemical	0.5555556	1.2777778	0.055555556
4	C17 H23 O9 N3	414.1507	414.15143	-0.1122814	414.15067	10198	12144	7960	8654	5669	4358	4711	8934	9499	5193	5497	6788	14046	2144	6625	10660	17318	10080	12231	5519	7157	15341	10052	11497	3159	400	5090	0	6912	6297	6558	7357	11053	8072	8278	7513	10726	7728	23789	5387	14245	7208	0	0	0	5606	13930	0	7746	8615	10196	9182	5669	0	11989	7257	5429	11264	7430	11566	12326	4492	15553	11439	4564	10576	7339	20364	1442	0	1937	7622	5623	6585	4582	6015	0	4611	9131	6955	5172	3611	4220	3862	8876	5374	7309	10617	8234	18448	5001	8867	16547	5538	5500	0	8433	10032	4833	7972	7572	11976	6221	9690	5051	10096	7079	0	5795	15672	Peptide	0.5294118	1.3529412	0.1764706
8	C17 H23 O9 N3	414.1507	414.15134	-0.11074525	414.15067	23663	28733	21966	26024	13872	9924	15618	29879	18012	17606	15363	19147	26868	5428	24446	25150	27780	25076	29523	18429	22556	39711	26905	29333	12129	747	15724	4616	23578	23102	22394	25627	29761	23291	26829	23377	33243	23855	30974	22080	19370	15064	0	0	0	20175	21440	0	29154	23443	27733	24330	16600	0	27655	10465	14260	28558	26300	18518	39052	15408	24255	24512	11820	20814	18770	36477	4420	4470	4917	27843	22400	17321	17934	20898	0	16221	21033	10433	15708	9417	10852	5217	14005	11444	18907	18881	20849	38757	13653	37707	59927	16804	15592	0	24278	28418	11117	11017	7921	28392	18789	28629	11820	33271	12301	0	13380	30264	Peptide	0.5294118	1.3529412	0.1764706
12	C17 H23 O9 N3	414.1507	414.15128	-0.12597103	414.15067	14964	9071	9228	14246	5987	6568	5484	21409	6477	6380	3876	10665	11049	2458	16816	12596	17019	10115	11611	7996	8873	18745	13771	16252	10574	0	6941	0	20065	14710	12585	11327	17866	9499	8592	15151	18410	12716	12067	6865	9548	6522	0	0	0	9734	10301	0	11891	14983	8951	9499	8860	0	14274	3756	4833	19737	12489	11455	19075	5617	7894	8500	5110	11465	10024	10765	0	2229	2296	12464	11861	12264	9062	9165	0	10961	8410	0	9233	6672	7154	0	6269	7368	15056	8056	8401	20819	6819	14327	33374	5302	2971	0	11570	11281	0	3541	2524	15144	10474	9077	0	14536	4169	0	8793	12192	Peptide	0.5294118	1.3529412	0.1764706
2	C17 H23 O9 N3	414.1507	414.15146	-0.07326338	414.15067	7855	6139	7965	6618	7892	0	3591	9802	8347	6345	2871	7500	16649	3703	5715	710	10986	11782	13023	5190	10912	12878	9098	6562	1918	3568	0	3406	10378	5392	10486	8187	16727	8574	7407	8822	12048	5653	9606	4854	8411	6744	0	0	0	4401	6172	0	9706	4385	7095	7698	8874	0	12047	5900	4133	9916	3108	5373	2753	2784	16403	12882	4349	13088	11129	14982	5316	6212	7740	8602	7253	5337	959	6624	0	5167	7739	0	6449	1998	2465	2083	7852	4470	8823	10525	10538	19524	4360	5569	21078	7373	1814	0	11171	7635	6076	7346	5479	7868	6106	4997	4261	13844	6261	0	5172	17804	Peptide	0.5294118	1.3529412	0.1764706
6	C17 H23 O9 N3	414.1507	414.15137	-0.11125382	414.15067	21681	23489	24438	21061	12038	10867	10296	25498	19366	14958	10391	15516	24981	5926	18157	25393	27075	21735	27071	17649	20143	34063	22978	28345	8969	994	10710	5263	18865	20035	21646	22890	29695	20181	23360	20149	30023	13215	29328	16029	22814	18206	0	0	0	15156	26527	0	23974	19812	22847	22206	16132	0	25339	12316	11706	32565	18408	20618	27547	12000	30536	21484	9412	22207	18877	36715	2796	2548	4632	20505	18508	16005	11400	18791	0	15544	15537	6588	12540	10235	9229	5245	15310	11519	16289	19816	19394	41744	18307	29176	56084	14396	12373	0	21113	21759	8347	9209	10651	26866	16534	24417	13594	30771	12164	0	12423	33914	Peptide	0.5294118	1.3529412	0.1764706
10	C17 H23 O9 N3	414.1507	414.15125	-0.14492096	414.15063	22864	20451	17686	20033	10148	8959	15753	25126	16241	11320	9343	18269	15444	3725	23173	23740	14307	21072	20695	17096	17901	32345	23532	25586	14351	0	12670	6582	23047	18225	20204	22010	30815	22964	16370	21281	27696	20396	17576	11838	14939	14649	0	0	0	16554	13267	0	19052	15812	20669	20608	13936	0	22971	8301	9611	24854	27123	14253	22685	11065	15236	16562	11143	15237	14003	26430	0	3616	0	23488	18005	22246	17820	17446	0	16325	16750	0	12255	8235	10110	3554	9917	12204	18869	15344	18243	30843	16226	26554	52584	11143	11983	0	18912	25138	7189	5455	6088	28253	16960	21873	0	26912	7702	0	13159	23146	Peptide	0.5294118	1.3529412	0.1764706
24	C22 H23 O7 N1	414.15472	414.15515	-0.08523168	414.1547	11220	11914	12752	9721	9363	7554	2517	2896	7996	34369	28567	3095	9804	6813	4336	5600	4128	8887	10284	21641	35175	20757	5804	8832	4086	34487	2767	27117	3791	3511	3720	1786	6014	4353	33982	4588	6580	1176	7517	27372	30854	3915	0	0	0	19999	23601	0	5563	3760	8527	13271	8489	0	6347	7082	3820	4912	5162	7154	6494	20298	13151	6287	2942	9024	8409	5403	40916	44521	60368	4486	5831	2758	2623	4009	0	1782	5545	17823	6098	13939	5103	18503	8481	5387	7598	5675	7039	5647	8204	7770	13173	23294	25164	0	9715	10613	4942	6764	5085	4784	3151	6102	15619	7470	4520	0	3757	10958	Phytochemical	0.3181818	1.0454545	0.045454547
14	C22 H23 O7 N1	414.15472	414.15524	-0.16770837	414.15466	39292	42121	33374	43490	24529	19428	18817	24659	25466	116346	79670	18080	30227	22543	17780	32753	27888	27825	33880	115772	127261	60631	21461	30730	17856	144854	11530	75560	20109	17548	18801	19839	29908	15282	135140	21514	24297	17649	29844	84577	101270	18198	0	0	0	48449	62670	0	20794	20509	40872	42425	17756	0	26825	18017	13772	26968	14629	29137	20351	57869	31617	22874	10769	26299	22829	27017	132621	200282	186588	18925	14347	14550	18708	18472	0	14061	26940	48511	21191	30390	22185	56333	25036	13161	28816	22027	20196	54528	45398	42684	44158	53127	76807	0	37990	42649	21999	22899	16750	31225	12944	31478	24927	25164	17417	0	19252	29231	Phytochemical	0.3181818	1.0454545	0.045454547
10	C22 H23 O7 N1	414.15472	414.15527	-0.15269677	414.15466	26050	20815	20046	22574	13567	12284	4402	13873	14913	80615	45102	6279	16580	10313	5350	15813	10192	16782	15212	78335	86251	34515	10706	14244	6703	88615	7193	41266	8573	7237	6783	7518	15394	8864	84973	8838	12889	6920	11550	46297	52746	8448	0	0	0	34333	32827	0	9423	6970	22430	21833	9755	0	16264	11941	5946	9723	2841	11416	9263	32218	17789	12083	7496	16187	7079	12812	93677	124386	124838	10485	8590	6160	9206	6890	0	7164	14019	24759	10308	15653	7945	27871	16007	6237	13266	5945	9519	16560	18771	14752	19966	33937	45335	0	23534	20833	13846	10861	12852	10554	5760	10900	0	9995	11397	0	8907	13727	Phytochemical	0.3181818	1.0454545	0.045454547
8	C22 H23 O7 N1	414.15472	414.15533	-0.16490796	414.15466	14042	14155	13716	14161	9839	6503	4700	6973	9746	54297	29524	5444	12686	6447	6439	9767	4515	8808	12012	54489	58307	21333	6576	10644	3368	44924	3767	26127	7392	5027	6499	5561	6437	6802	59230	5914	9719	3619	7970	31614	35490	4837	0	0	0	25619	35539	0	8935	6455	13166	14996	7292	0	12162	5289	3720	6234	4442	7209	8951	20045	10769	8979	3772	6918	8229	7578	55770	80856	87033	6267	4286	3751	4607	5273	0	4603	8423	14213	5382	9744	5814	24823	8956	4057	8417	6108	6702	11880	0	10661	16953	21994	36662	0	14078	11223	8505	8119	6349	8605	4625	8170	7450	6778	7765	0	4986	10959	Phytochemical	0.3181818	1.0454545	0.045454547
6	C22 H23 O7 N1	414.15472	414.15536	-0.128755	414.15466	5484	8419	5421	6042	4318	2980	2542	4370	4963	24196	12740	2959	6360	3708	3431	4395	3146	4331	6267	21312	29773	12187	3753	3801	2463	23499	2239	9936	4238	1755	3550	4184	6160	2980	26724	2993	4713	3415	3935	11505	14910	3174	0	0	0	9412	14429	0	4608	4838	7233	7151	3834	0	6856	3927	2262	3449	1528	2201	3420	9441	6264	4202	2297	3989	3223	2902	23198	31364	40244	4443	3670	2136	2573	2266	0	2255	4455	6038	2349	5093	2206	9150	3937	2349	5310	2667	3215	6092	4385	4953	8510	9879	16614	0	5942	6940	3461	4827	7117	4354	1609	4146	0	4222	4762	0	2825	4621	Phytochemical	0.3181818	1.0454545	0.045454547
22	C22 H23 O7 N1	414.15472	414.15518	-0.10900591	414.1547	24627	31049	25304	26095	25399	21287	7088	9794	24860	91716	80105	10801	23820	16426	11313	19706	11408	29614	29304	78103	94651	49274	13038	19080	12018	92252	5659	66849	13909	10376	13688	10819	17355	12893	96870	8918	20317	8172	13216	72426	71029	14269	0	0	0	53615	56374	0	11570	9521	35419	29161	20987	0	15275	17397	10482	16107	8145	13955	18583	51090	30252	17897	11610	28424	21807	10104	109192	116994	135781	7381	8711	6885	7083	10228	0	10619	17060	40552	13570	35880	12618	50694	26099	15897	19068	13822	15755	18805	27193	27820	24944	50620	59242	0	27767	29482	19625	19133	19302	16104	7700	16440	39274	21523	19182	0	10002	24530	Phytochemical	0.3181818	1.0454545	0.045454547
18	C22 H23 O7 N1	414.15472	414.1552	-0.117002375	414.1547	69111	65042	64086	64895	42993	35072	23951	29235	41439	199113	132886	17584	55240	39122	23314	41164	31642	42329	57307	190634	178194	98911	33647	54409	26067	208684	23159	122933	28020	27359	25682	32477	38926	28788	206598	31120	48235	18285	36740	147559	146893	29509	1341	0	0	86316	90340	0	34649	26991	65783	66125	37613	0	48622	35637	31755	40446	26139	32573	47195	98157	62478	41346	24830	49925	33788	40134	197261	264287	313055	30184	21778	18469	23526	25593	0	20520	46475	74871	29431	57472	31017	92869	48260	25825	45344	33492	32765	59471	63432	74780	84079	85845	128062	0	60423	69232	34185	39003	37150	40280	17314	44144	45231	39719	27176	0	34407	55280	Phytochemical	0.3181818	1.0454545	0.045454547
12	C22 H23 O7 N1	414.15472	414.15524	-0.15904115	414.15466	25473	25256	20992	24065	17137	12401	14236	14900	21238	93607	54439	8615	22755	13650	9756	16717	14304	19834	26562	98588	107161	39425	15005	18014	13031	108037	9304	45880	13135	10558	10926	9786	17172	11120	128710	10211	15724	12917	16270	59055	80998	11129	482	0	0	46370	52895	0	15182	14596	21355	25360	15493	0	20557	14050	7925	15612	7642	13903	0	42938	27110	18340	9150	22197	14949	18740	116617	154173	167109	14192	12219	9931	10703	14780	0	10670	18125	33319	13370	22037	10862	44833	18265	9808	21465	11138	12495	36946	22011	26608	25633	41399	50842	0	25132	31502	18157	16182	10601	14430	7595	19669	0	14378	12005	0	16213	27419	Phytochemical	0.3181818	1.0454545	0.045454547
26	C22 H23 O7 N1	414.15472	414.15512	-0.15826136	414.15466	3706	3661	3845	3289	3278	2643	0	0	3175	14263	9085	0	0	0	0	0	0	0	0	9005	9671	7353	0	0	0	14272	0	7644	0	0	3232	0	3288	0	13410	0	2367	0	2236	9874	12491	0	0	0	0	5319	10650	0	0	0	5591	3852	0	0	0	0	0	2893	0	0	0	5733	3365	2704	0	5009	2279	2413	14216	16060	22267	0	0	0	0	0	0	0	4268	7556	0	4850	2204	4081	0	0	2927	2735	0	4486	3164	2304	6635	8607	10745	0	2033	5814	0	3513	0	0	0	0	0	2703	0	0	0	4323	Phytochemical	0.3181818	1.0454545	0.045454547
10	C19 H27 O9 N1	414.17587	414.1764	-0.15194517	414.17578	193479	187120	185073	173657	104405	92768	137263	305500	131242	246258	144174	163674	189567	68783	205575	247164	182478	193521	213520	399470	362665	221484	221233	320541	147359	286677	130447	109383	265355	259220	195585	221922	207211	200850	310100	250997	414774	147137	164651	256963	200175	131151	6987	717	766	275866	255679	712	220137	274795	201072	189447	103409	1358	206896	130675	79175	207582	249544	192672	275269	157872	155678	135486	76171	122994	107892	173901	279861	271623	248748	234709	212272	272881	152889	209527	534	152248	171708	128477	171986	165231	180546	123751	162884	109753	147153	93138	121087	145471	125291	172669	580090	117655	212838	1928	176494	232136	101952	99461	130189	235101	154187	326432	195430	173198	127676	624	126727	166584	Lipid	0.47368422	1.4210526	0.05263158
24	C19 H27 O9 N1	414.17587	414.17627	-0.16669393	414.17578	29188	29207	26975	27572	30800	23990	10770	33713	28161	50280	19765	25038	50096	11158	28672	33284	19372	43503	40399	50776	59469	15232	29400	40376	18976	45558	8491	12378	29368	24111	22488	29103	20804	29599	40715	31078	26780	20308	20950	26891	36703	16380	2141	0	0	32491	40356	0	29622	31190	30830	27446	18181	0	36119	30331	13995	28591	15177	18076	31404	26340	41381	32365	10755	28563	14112	17315	44627	74808	64117	37929	28283	29168	24348	24118	0	22323	31220	8952	25017	16974	15259	20997	40064	15612	20776	14515	20893	16945	15550	15960	32960	11021	19230	0	33428	35973	19360	23480	29573	24847	18363	33701	23978	24655	21618	0	14350	49684	Lipid	0.47368422	1.4210526	0.05263158
4	C19 H27 O9 N1	414.17587	414.17654	-0.15047419	414.17578	12193	15905	11717	10861	9729	10479	5729	17208	11408	16330	9317	19052	18442	4594	20810	22578	12231	25182	14056	18857	20362	37584	24128	28596	6469	5715	5956	4770	12622	11021	11532	12305	29840	9345	22815	15751	14167	8186	17017	14144	13700	8526	0	0	0	14223	15728	0	14437	14787	13730	11928	7409	259	15147	10533	6058	23778	13326	10854	12810	8081	33520	12727	4184	25992	7628	14951	10466	8472	8711	11567	9600	12039	4942	11110	0	19572	18720	9022	9411	7005	8871	6294	10322	7116	7795	7483	9466	22218	14259	29500	36488	9853	12839	0	9801	15073	8348	11753	10314	14874	9385	21944	10138	20536	8893	0	7475	35796	Lipid	0.47368422	1.4210526	0.05263158
12	C19 H27 O9 N1	414.17587	414.17642	-0.10655341	414.1758	295435	294433	331018	318652	244280	213851	305444	664149	303472	423012	273027	299280	343844	121654	434484	391719	430208	478993	517749	758437	832774	390501	523182	492281	364275	643931	182945	291600	559696	418571	451803	324334	471018	363770	644742	482875	338551	356622	336498	487828	420958	259042	10420	1341	1227	569162	428525	1405	337284	480934	307930	290256	234460	2771	517970	294968	179090	338361	521894	439785	464426	381430	367325	328225	156344	279975	247372	347573	720083	692225	612787	399136	400605	534384	275364	325126	562	375751	351614	280306	382750	341506	346772	271503	368720	246599	307521	175879	257184	327193	241534	358663	502794	248834	275008	4671	320902	489583	268976	207954	270664	419364	309354	492599	451133	355432	294954	1035	296901	369248	Lipid	0.47368422	1.4210526	0.05263158
14	C19 H27 O9 N1	414.17587	414.1764	-0.089582704	414.1758	638029	593942	574352	645751	482557	454404	461297	1120550	622309	925555	510329	488507	851274	278697	805544	805792	643995	922635	928597	1526581	1551902	708546	914094	1081233	701008	1339730	343726	524053	987164	937209	671678	755888	877683	651520	1275444	957487	696369	568686	510674	877630	623575	578641	24495	2751	1646	996979	818224	2130	659962	905181	610181	574199	458244	4208	1053223	556946	313997	662868	898778	548325	1006864	690497	695776	649990	330315	537376	461258	478853	1192990	1506673	1026272	746063	726086	1006968	621680	667907	1038	602072	600647	459950	620877	575910	505080	495002	676666	458173	503950	405505	442765	438135	522396	598450	1018097	393472	689184	7435	635545	912082	485449	404080	506174	874595	511898	1163563	640751	570565	559340	1994	444224	672296	Lipid	0.47368422	1.4210526	0.05263158
26	C19 H27 O9 N1	414.17587	414.1763	-0.15946777	414.17578	15101	13956	14394	12207	10703	9957	1973	15157	8538	26207	8236	10886	22173	6494	13302	13777	8924	23030	13653	35422	42170	7715	12250	15753	0	22658	3145	6394	12614	8997	10953	7358	10173	10846	25422	12891	11414	9101	12443	15216	17179	8314	0	0	0	14454	16797	0	13028	20111	10762	11127	5999	0	13680	11356	6507	9985	4991	8909	12641	9095	13522	12296	3867	16117	6817	10132	29587	45774	44498	16749	11218	14154	17718	12373	0	8067	9611	0	11443	6760	6916	10993	14314	0	9147	9395	7747	5466	7280	7427	15517	4787	6054	0	15695	15194	5952	10645	7780	9943	5788	13141	6263	9943	8365	0	8946	19399	Lipid	0.47368422	1.4210526	0.05263158
28	C19 H27 O9 N1	414.17587	414.1763	-0.14174773	414.1758	13050	9385	9970	9589	7370	5921	4262	11546	6169	21312	7515	5499	12565	4198	9376	12024	7391	10484	9401	25939	26343	5294	9984	12958	4994	20856	3123	9424	9833	8827	9606	8028	9396	10575	21670	9268	10717	6270	6804	12377	10793	7025	0	0	0	10600	10826	0	11995	11258	10065	10540	5849	0	10819	6750	4623	8817	6928	5263	11003	9351	8509	6442	4060	7725	5094	7301	23247	37029	31995	10684	9851	14389	11849	7002	0	6141	6151	3545	6405	5850	6063	11110	8046	3282	6933	5409	5672	5858	7498	8322	13154	2818	5800	0	10494	9628	5580	5595	7796	8329	5469	11533	5995	8275	4283	0	5152	11424	Lipid	0.47368422	1.4210526	0.05263158
8	C19 H27 O9 N1	414.17587	414.17648	-0.16911376	414.17578	99589	100556	79473	167386	44937	47494	55274	242058	56853	115657	58677	117828	89724	29533	157118	110553	75590	72433	95131	321680	151191	107105	177214	235498	51553	81802	54678	42298	213830	216482	167618	193690	187390	150870	152321	203144	170254	120534	163422	106165	98493	58912	1686	277	288	121802	120663	0	184454	224272	168394	88787	45470	792	98867	57223	39033	170614	190924	76029	121419	73829	83103	72023	32814	59348	51857	73964	104801	90526	111050	196972	158136	213414	63312	170454	260	133676	70434	53481	68424	118100	136736	54196	70639	37886	59888	41105	57922	70687	60140	106768	235790	62235	107080	826	85148	105470	43396	56010	56771	97415	130486	158002	61239	160038	53317	0	52876	86779	Lipid	0.47368422	1.4210526	0.05263158
14	C18 H27 O8 N3	414.1871	414.1875	-0.14192705	414.18704	5863	5437	5343	7491	2966	5162	3240	10596	0	3794	1842	2252	0	0	8393	8921	4816	0	3526	0	2977	7879	9668	10051	11816	0	3127	0	11176	5631	6995	9070	8708	6222	5823	7384	8831	3292	5607	1979	0	2900	0	0	0	3348	0	0	7903	4542	6743	6540	3401	0	3835	0	1379	8434	0	0	0	0	1696	3192	1809	3548	4481	3318	0	1699	0	8352	7701	4750	5377	3419	0	5892	7076	0	4330	2144	2717	1070	2125	0	8423	5936	3245	13222	21654	22705	15057	0	1850	0	4676	0	0	1408	1628	11927	4256	3007	0	9770	3010	0	5036	2661	Peptide	0.44444445	1.5	0.16666667
8	C18 H27 O8 N3	414.1871	414.18768	-0.1551236	414.18704	23795	23154	17038	22609	8763	8528	15333	27893	13672	18115	5394	13439	16470	5435	25046	28787	13809	17382	21181	20338	10815	34181	22150	34067	21390	1326	11071	11707	26066	20440	23970	30036	31055	24508	26142	24774	33680	21145	19101	17795	6932	11125	0	0	0	19947	10601	0	30197	22290	23900	23570	9961	0	20767	5693	7268	34969	21556	12281	27354	8777	16851	17752	8833	18112	14687	19186	0	6426	4527	26663	24119	24458	12000	20160	0	17798	17717	4880	13133	8894	14129	8400	8074	10051	19145	11651	15771	26995	52716	60568	55819	8779	13277	0	20453	21049	4457	7392	5443	26991	16356	27048	0	27058	10416	0	13215	21282	Peptide	0.44444445	1.5	0.16666667
2	C18 H27 O8 N3	414.1871	414.18784	-0.14621411	414.18704	11118	8944	7441	9901	7104	0	6530	11881	7981	4288	3102	8456	10316	3369	8721	3599	10496	10975	10488	4671	7676	11620	9266	11296	4932	529	0	3109	11590	7164	12370	10971	17396	9631	8650	10756	14954	8716	11319	4989	5760	6002	0	0	0	4942	4926	0	11504	8057	8845	8699	7148	0	11688	4364	4149	14088	5683	5049	5319	3061	10038	9623	4576	12237	10623	17080	882	2310	1783	11558	10568	9046	1440	9871	0	6847	9702	3977	6562	3373	3983	1879	6703	5071	10222	7309	8952	18790	10362	14761	27192	4584	0	0	8616	9866	4626	4463	4843	8588	9160	7978	2430	14373	5835	0	5735	10802	Peptide	0.44444445	1.5	0.16666667
4	C18 H27 O8 N3	414.1871	414.1878	-0.13368268	414.18704	11975	11483	9333	8901	6579	6871	5144	9685	9114	5927	3280	6161	14746	3584	12198	13268	10918	11911	11658	8450	6393	17395	10192	14199	8268	990	5174	0	12740	8050	11522	11813	13118	7088	10049	8774	16404	8134	16366	6595	6367	6580	0	0	0	8714	6957	0	12464	8654	9333	9759	7156	0	14398	6161	4958	13274	9738	6083	12405	4903	11901	11011	3758	10945	7511	12984	0	2455	2201	10052	8541	9643	3426	8729	0	7762	10140	5207	7519	4485	6441	2938	7887	6975	9337	6167	8722	14720	30289	25241	27046	4171	8016	0	10991	13842	5135	7218	6772	13561	6574	13763	5130	12404	6997	0	6617	16043	Peptide	0.44444445	1.5	0.16666667
12	C18 H27 O8 N3	414.1871	414.1876	-0.15267721	414.18704	10306	13128	7609	8249	3826	6565	12460	14105	5072	5965	2420	7362	4731	1528	13388	8606	7576	8685	8670	6458	5975	16931	12412	19652	16326	0	7602	0	13654	12715	14915	11145	16472	9605	10834	13095	14976	13720	10607	6956	0	5471	0	0	0	7701	5349	0	15332	9289	12445	8086	7168	0	7318	2873	4279	13387	9755	0	0	4339	7337	4405	3611	7573	8524	9803	0	3492	1594	9958	12528	14744	5731	10558	0	10755	7469	0	7821	4222	11010	2291	4263	4502	16709	4951	8585	17513	28610	34624	27947	5697	4188	0	7755	10738	2055	1976	0	13216	7008	7172	0	15749	2793	0	10475	13589	Peptide	0.44444445	1.5	0.16666667
10	C18 H27 O8 N3	414.1871	414.18762	-0.2036763	414.187	21982	11929	16890	14553	7493	9731	14869	23788	9829	8473	5233	11810	11386	4455	21111	20685	11713	12139	14313	14459	8825	26857	18465	27502	21960	0	11358	7281	24422	18386	18968	23392	31188	23263	13447	16690	30840	14916	15885	13410	5974	7657	0	0	0	12893	6241	0	22861	17518	19776	19167	9157	0	13370	4455	7024	26626	17722	8663	22403	6305	10212	8222	5133	10357	9918	17054	0	4767	3821	23171	18434	17702	9240	13418	0	12281	15803	7591	11087	7121	10539	5727	3098	7228	17969	7829	11155	24596	31666	39024	51796	6112	10314	0	17215	17139	6205	3117	3595	22536	16090	22716	0	22725	5949	0	13927	16371	Peptide	0.44444445	1.5	0.16666667
28	C23 H27 O6 N1	414.1911	414.19156	-0.17683594	414.19104	34855	34260	33506	31463	15600	16417	31890	71165	11355	7147	7581	32051	6546	15928	36558	100029	81196	22795	28311	2987	5769	20344	42629	121047	60088	4006	27719	7140	32182	41151	47018	37267	59532	46614	6043	36179	39588	44198	93341	4700	6799	26428	0	0	0	17008	14513	0	40093	50115	38802	33008	35258	0	37533	6634	14153	99739	12822	17461	98634	3068	8203	23530	13320	14819	28942	84059	9766	6299	14574	55123	35866	17364	36283	30572	0	31319	105957	18350	64178	9598	21749	2690	21404	14772	93270	36810	32016	239038	17276	20036	187154	11349	10175	0	38223	31124	13595	9514	9710	63210	36961	24643	7668	139221	17020	0	94619	10091	Phytochemical	0.26086956	1.173913	0.04347826
18	C23 H27 O6 N1	414.1911	414.19156	-0.20982876	414.19104	63857	54458	49505	54796	37168	30165	30093	40164	23307	104088	81597	28961	38170	28053	28931	56645	43000	29874	39410	130666	123228	60604	31683	61715	35294	161183	25865	87288	35894	36376	31937	40869	40350	43930	95910	33370	44922	27760	51179	91064	117689	29988	583	0	0	57408	57580	0	47698	37657	56386	66358	28819	0	30853	22099	21115	47337	31324	38677	48070	57735	26456	22514	15334	36512	33023	51688	135210	163405	230430	30666	32545	31954	37382	35866	0	24074	42492	58056	35590	35228	31007	72610	28543	23944	48280	40151	34463	78850	73265	72034	81263	48028	76546	0	50468	55004	23450	26185	24409	48935	24006	46783	28869	41727	23464	0	37909	30425	Phytochemical	0.26086956	1.173913	0.04347826
12	C23 H27 O6 N1	414.1911	414.19162	-0.18142529	414.19104	21229	16809	23389	21783	9152	8676	10842	17249	8532	41784	43043	8931	5137	9441	12592	15645	15154	8349	12528	85168	73488	22258	7692	20955	9340	73752	9301	42298	12847	13123	13754	9409	17538	13140	70316	11572	15862	8606	13167	51472	41073	10142	0	0	0	26848	25299	0	15177	11164	20749	17896	10403	0	10366	4604	6785	18114	0	8092	0	25191	5888	8849	5335	11246	8495	20195	68798	103882	110466	16342	11441	12183	12980	12171	0	10549	14261	0	11258	7810	5218	27793	6860	4316	13545	7707	10831	34540	25647	19549	25106	23703	35544	0	19088	25543	10571	5875	3880	15688	7203	14945	0	17800	6222	0	13142	8186	Phytochemical	0.26086956	1.173913	0.04347826
20	C23 H27 O6 N1	414.1911	414.19153	-0.16982001	414.19104	67033	67745	58184	73240	41014	36200	27309	57866	37090	121791	101767	34578	40370	41980	35603	66011	51643	46501	51057	135469	157562	75369	39094	69145	39089	199157	27645	106571	41803	45557	41704	46984	50716	52375	120049	52765	63524	26125	60448	120282	145398	38830	966	0	0	77735	77616	0	59435	44077	56580	69794	34770	332	28181	28562	25493	63964	38325	45686	71207	78996	39268	30115	22941	42721	43756	65668	177544	225187	251728	50410	45048	34313	44749	44484	0	32993	45668	77179	39233	40128	43278	92454	35765	27325	49224	45136	36418	93367	81268	71688	107798	72495	84078	0	69102	65192	31961	27302	31439	54680	33529	63958	42261	62273	32685	0	49935	49230	Phytochemical	0.26086956	1.173913	0.04347826
14	C23 H27 O6 N1	414.1911	414.19162	-0.21304093	414.19104	31995	28787	20365	24244	12757	13129	16406	19076	11456	59177	40657	13357	8716	8988	14212	24502	23116	11122	12339	68328	88664	28228	13612	24510	15874	90998	14853	55707	17274	14642	13506	13997	22832	14814	67398	18695	20225	12823	24487	54620	56283	11394	0	0	0	27221	29561	0	19876	18555	27539	26743	14404	0	10333	8700	9077	28326	9594	25343	19184	29590	10090	9932	8485	13445	14171	28161	75553	101682	112930	14364	17364	13442	20547	14248	0	12291	23763	28964	18709	11462	12448	29174	13813	9520	21003	14030	11715	46125	28859	22674	43506	27095	37872	0	26059	21561	9888	9274	9839	22275	11127	19172	17251	20172	7739	0	16791	7314	Phytochemical	0.26086956	1.173913	0.04347826
10	C23 H27 O6 N1	414.1911	414.19162	-0.25570056	414.191	20920	22066	20618	17427	9233	7856	8356	15441	5743	53337	35984	10401	7463	10149	7781	19496	12562	11185	14891	72248	68568	18731	11242	15848	9761	73765	9142	34771	11976	17144	10939	13585	19649	13263	62865	17196	16503	6168	15675	45265	35392	8132	0	0	0	27218	26325	0	14122	15587	17614	17487	8285	0	12032	5646	4468	17952	0	8552	13905	22981	6033	6410	4504	7937	8748	16368	56563	90640	94786	16248	13311	11091	12814	11092	0	10226	13302	18811	10365	8187	4096	25025	3639	4042	12125	8151	6519	26852	19393	9275	23782	22952	37885	0	19660	18288	6556	3015	4413	18390	7189	21140	0	14413	4792	0	9997	8285	Phytochemical	0.26086956	1.173913	0.04347826
26	C23 H27 O6 N1	414.1911	414.19153	-0.16894612	414.19104	16907	17351	13119	14405	15285	5100	4548	25960	15048	13117	15501	10900	9522	8821	10752	35542	13398	11159	26631	12238	11756	38475	16662	48041	9955	18180	2346	10949	12644	14711	13726	17022	23832	9382	13972	17680	11671	8248	16739	13113	20806	0	0	0	0	12074	8810	0	18790	8761	14177	16016	7998	0	12525	0	4117	35525	6034	4802	40738	11192	16981	14141	0	12321	9923	24528	29410	21209	39438	12004	13081	8488	13522	14739	0	11882	21294	12193	25792	6406	4905	9489	7879	0	20703	9451	15486	65941	13940	8936	51233	10000	13478	0	13262	17616	3492	15216	10522	20664	11959	9792	0	35268	0	0	11935	17182	Phytochemical	0.26086956	1.173913	0.04347826
22	C23 H27 O6 N1	414.1911	414.19153	-0.14948413	414.19104	53581	45046	52485	41674	41161	30805	17246	46256	27310	104441	94945	20831	28370	31139	29426	47303	35530	39147	45301	112619	125127	61319	30677	57780	34348	168492	20081	93169	44939	32369	34545	42442	47236	43081	93528	32255	51888	20785	32463	89873	107290	31001	0	0	0	60701	63961	0	44048	35442	59762	53734	39222	0	35976	21871	23080	47275	30161	31284	54642	62024	30677	28224	17062	38430	37778	40744	159087	187937	221219	38127	34045	26650	23945	32489	0	25216	34256	56651	32086	42896	33686	68022	32381	21152	43661	37305	36427	63276	54942	61153	80306	54971	75336	0	46048	53882	29524	26775	31145	51104	25670	50545	37635	50589	25954	0	32083	32805	Phytochemical	0.26086956	1.173913	0.04347826
8	C23 H27 O6 N1	414.1911	414.19168	-0.1706677	414.19104	14397	16032	13872	15125	6505	5235	6717	12365	6330	40358	21252	7561	4936	5198	6504	12755	11229	6249	10451	50539	56244	14228	9983	14915	8339	45741	7130	18009	10652	11683	11412	16343	14688	9785	45232	13026	12617	8558	14237	32689	25772	7710	0	0	0	20352	21271	0	14545	11408	11901	17249	5654	0	10482	2983	3476	9884	0	3416	11817	11865	4671	5878	2459	6278	7644	14725	31447	58179	67717	12237	11083	11340	11202	12862	0	7755	9960	8897	8408	3626	2536	21021	3368	4365	9128	6552	6762	21038	13839	7008	15157	18370	27785	0	17010	15183	4014	2694	2656	13691	7392	17494	0	11209	3968	0	5870	4246	Phytochemical	0.26086956	1.173913	0.04347826
24	C23 H27 O6 N1	414.1911	414.19153	-0.16609816	414.19104	29716	26861	27397	29443	23653	15451	9922	20306	17554	49119	48754	12940	21578	15077	13856	34336	14918	18794	23075	48485	58709	36780	20739	35340	14649	80026	6897	50211	22423	16051	20237	19665	23723	21900	50071	19797	27761	11591	17432	55001	56937	15539	0	0	0	37705	40021	0	26425	20570	28776	27530	19165	0	16319	12688	12530	28324	12528	16626	25480	35741	20300	15216	7855	26525	20609	22003	79630	71548	101583	21130	19162	15217	15715	17609	0	13058	25258	28816	17596	22572	13589	40884	20571	12862	24061	13962	21461	39956	27164	31486	40762	33783	33262	0	29437	26206	14234	18124	16043	22345	13912	28716	24457	32562	18038	0	16205	21605	Phytochemical	0.26086956	1.173913	0.04347826
22	C20 H31 O6 N1 S1	414.1945	414.19492	-0.13046962	414.19443	6299	4113	4518	3115	5066	6046	2805	1351	4823	0	3715	0	5272	0	3086	5377	4462	6142	6882	8305	6758	8355	1265	3591	4728	4384	1561	3017	4259	1841	1494	0	4758	5468	7727	4638	4803	2290	1936	4969	7750	4764	0	0	0	9875	6899	0	4527	2504	3962	5159	5077	0	2578	2815	3295	5132	4071	3579	2986	4751	2226	2597	2546	7525	8544	2180	4806	4355	4948	3087	2236	0	2692	1194	0	1222	1642	6380	0	4960	5383	3922	3322	3191	3662	1801	6029	4037	20781	23867	5830	6760	14671	0	3837	3438	5794	2022	3336	4867	2047	7854	4921	5448	4979	0	3385	2136	Organosulfur	0.3	1.55	0.05
14	C20 H31 O8 N1	414.21225	414.21274	-0.1953725	414.21216	170082	180914	165355	159778	106893	109749	144747	298466	147571	148310	102887	143722	174778	74587	219100	271038	256292	188317	224899	292853	266192	212684	236755	330072	214197	203508	121233	101874	274500	265228	171796	218009	229355	160870	190837	278920	187255	158117	204154	161288	144369	167807	5747	974	550	218709	188726	717	195576	253726	169659	152589	120510	1197	215362	155132	77489	222428	216789	166246	326525	127821	145792	149734	85186	144133	128048	182401	185857	222612	176764	168942	172282	284974	233459	196653	407	163598	210178	138600	179218	128447	133509	93648	182009	131110	197653	114305	129387	199728	158124	161784	312946	109684	176728	2010	163270	246975	110861	140668	190375	262760	147108	278832	151979	159329	148701	638	147088	137311	Lipid	0.4	1.55	0.05
6	C20 H31 O8 N1	414.21225	414.21286	-0.20970353	414.21216	23305	23111	19999	22619	9741	10464	12270	33202	12820	27840	7669	13578	15544	4715	20479	26659	14163	15774	19755	30500	30259	28086	16400	29813	17899	9032	12869	10150	35201	25749	29715	29411	30509	21346	34143	25593	28083	16450	17575	20868	13922	9218	0	0	0	22506	15391	0	29982	24450	20825	21548	9428	0	15654	9354	7213	36620	14233	7195	29249	10780	12182	11592	4820	12325	13168	18322	8738	20693	12482	22977	20952	29453	14585	23891	0	16546	14478	12875	11027	9765	15345	12576	9963	8726	14773	8924	14507	21183	27569	43957	39545	13841	23828	0	25211	21538	7017	10528	10267	28135	15259	32405	0	21580	8060	0	14318	16577	Lipid	0.4	1.55	0.05
16	C20 H31 O8 N1	414.21225	414.21274	-0.17169514	414.21216	355689	374333	389558	372526	267113	233452	296465	609996	277797	342387	221039	309896	395729	142474	466231	540339	375433	454030	538734	590147	531089	335175	489747	678296	387147	426296	265082	207972	566681	510928	451960	473703	454813	372149	360972	569382	466659	307395	334444	321585	256284	300491	9759	1909	1251	429304	333403	1381	499552	564284	360035	348828	256889	3171	442884	305748	212553	0	328423	260998	568529	220971	330981	292503	160572	302806	274829	288483	349326	497226	357207	484657	479861	593181	433281	435339	622	342462	388954	234515	327452	231371	330183	235895	376747	246324	353144	253572	286559	348033	322301	388738	641689	183069	328268	3336	369060	454494	219632	264895	343464	553248	271681	512545	209069	452060	267949	1262	332135	339799	Lipid	0.4	1.55	0.05
8	C20 H31 O8 N1	414.21225	414.2128	-0.22664781	414.21216	31176	34550	27263	33831	16034	13772	18170	45425	16482	37499	13234	19731	24443	9567	26746	36463	20207	20656	28060	47239	41882	40987	26730	34821	24854	18949	20155	13700	36613	33718	33048	39374	36187	27839	47021	35583	39154	21689	26439	35086	20780	17638	0	0	0	36410	26214	0	42221	38715	28033	36262	14689	0	31293	14077	10481	35787	25797	13776	33198	15019	21749	17409	9893	19662	14216	22729	18584	31657	21532	33878	31003	36092	20151	31893	0	23245	22659	16717	17784	16271	19330	17307	20994	11870	23002	11646	19450	31314	36558	47596	49027	17343	26294	0	30657	32894	11013	13830	14576	38141	19282	43296	8699	30800	13716	0	17165	25674	Lipid	0.4	1.55	0.05
6	C19 H31 O7 N3	414.22348	414.2241	-0.10896999	414.22342	4967	4584	7170	4794	0	2941	3408	7893	3962	2278	942	2143	5180	1426	5544	6720	1911	5075	4464	2696	1405	8137	4686	7364	6247	0	3220	0	7066	4652	5769	6372	11031	5027	4644	7380	9460	4809	4351	1425	0	2371	0	0	0	2417	1275	0	5181	3184	6402	4067	3274	0	4083	1088	1789	8574	1604	500	7356	1163	3143	1790	1098	5227	0	5365	0	0	0	5428	4987	4448	3571	4321	0	3273	3724	0	2469	1288	1591	1281	3520	3432	5909	2467	2949	7329	21204	14153	13150	986	2892	0	4840	6149	1739	1611	1848	5321	3837	3660	0	8333	1989	0	4670	6405	Peptide	0.36842105	1.6315789	0.15789473
10	C19 H31 O7 N3	414.22348	414.22403	-0.05394749	414.22345	6011	2773	1821	4250	1449	1179	1907	3417	0	1761	0	1548	1568	0	3820	3681	1401	1126	1870	1849	1943	3584	3494	6114	5269	0	2459	5022	3843	3885	3320	5869	5326	3335	2559	3873	5893	3474	2342	0	0	2118	0	0	0	0	0	0	4672	3527	4097	4943	1570	0	2445	850	589	5946	0	0	0	0	1825	956	824	1680	2204	4830	0	0	0	4183	3170	3015	2815	3703	0	2752	2570	0	2959	850	0	0	1686	0	2276	1973	1875	6271	33966	31303	9528	0	0	0	4356	3022	0	0	0	5261	1481	3872	0	5727	713	0	2597	1820	Peptide	0.36842105	1.6315789	0.15789473
8	C19 H31 O7 N3	414.22348	414.22406	-0.08740937	414.22345	7551	5453	5004	5069	746	1951	3997	4835	2286	2604	892	1932	3519	1139	7453	7017	2981	1983	2895	2258	2051	6967	4541	7573	8359	0	4038	3485	5008	2267	4606	6937	8703	5638	3641	5381	9948	3323	5533	1310	679	1292	0	0	0	3324	1558	0	6643	5332	6082	4340	1173	0	2824	890	1126	9621	979	792	4913	0	1485	2562	0	3012	2665	2166	0	2104	0	5494	4477	5402	1536	5296	0	2975	3736	0	2662	0	1738	1297	1724	0	5346	2143	2634	6549	28471	36099	15034	0	1618	0	5370	3256	0	0	3618	7646	2697	3592	0	6617	1898	0	4948	2346	Peptide	0.36842105	1.6315789	0.15789473
14	C19 H31 O7 N3	414.22348	414.22397	-0.004556606	414.22348	14370	16901	14303	15271	0	0	0	1282	1552	19295	34843	0	1652	0	2936	3759	0	0	2334	0	1799	7909	0	7202	1170	0	962	74265	1833	0	1230	0	0	1379	5235	2205	2166	1288	1532	0	0	0	0	0	0	3321	0	0	2912	1245	16726	12057	1974	0	0	0	0	2747	0	0	0	0	1428	0	0	0	0	1990	0	0	0	2071	1796	1340	0	0	0	928	2340	88813	0	0	0	0	0	0	1583	0	1148	0	923456	749641	3889	41310	28419	0	13296	23314	0	0	0	0	0	2939	0	2783	0	0	1988	1976	Peptide	0.36842105	1.6315789	0.15789473
20	C24 H31 O5 N1	414.2275	414.2279	-0.24107176	414.2274	27436	28491	23840	30019	11895	15117	18126	26592	13274	30439	38553	15600	10995	25719	13539	40002	33984	5679	20390	47944	52995	28434	15364	37034	17802	89006	14612	38203	21747	20944	22537	24357	27575	27636	28734	23847	26251	14837	39196	38534	53298	15155	0	0	0	20715	31110	0	25389	20306	26909	26156	11889	0	8919	7508	8451	32229	17768	28336	29312	21745	6404	6762	6770	12947	18074	39719	66728	73496	85968	17280	20779	18259	29476	23409	0	9429	27831	29178	15356	15245	23050	24398	10769	9560	28073	22927	17601	56152	35495	31116	49324	26088	32745	0	32048	29074	10895	9032	7893	36653	12391	27045	15470	38153	7218	0	30944	7702	Phytochemical	0.20833333	1.2916666	0.041666668
8	C24 H31 O5 N1	414.2275	414.22806	-0.15198486	414.22745	8629	6772	7966	9926	876	3339	4976	17979	943	14260	9632	7729	0	2368	9421	13735	12159	1326	5041	22590	20427	4349	7688	21499	7681	16518	4956	7710	16587	9719	11968	18574	16618	12101	18597	15993	16075	4937	9902	13033	2622	7094	0	0	0	5624	5260	0	18050	13548	7469	8288	3436	0	1085	0	3012	11553	0	0	13472	3218	0	0	2016	1743	6767	17321	12817	18187	16438	14448	12183	15875	13292	12485	0	7731	6613	9705	4985	542	0	9041	1058	0	3557	3560	4651	20369	13719	0	25833	6968	20624	0	9147	9431	0	0	0	17337	7558	9342	0	13739	0	0	5657	2039	Phytochemical	0.20833333	1.2916666	0.041666668
10	C24 H31 O5 N1	414.2275	414.22803	-0.14874145	414.22745	15165	10067	14408	12763	1586	3962	7045	24274	1210	30826	18901	13085	0	1187	9936	15960	11227	2284	4520	46380	38138	4871	7673	21839	10879	34541	9814	16143	18249	21955	16266	20102	24030	19665	24769	26374	28130	9676	13545	23307	3481	7156	0	0	0	10696	6643	0	23523	20567	13155	11617	5040	0	1643	0	3461	18521	0	0	14880	6472	1633	2440	4083	2209	4580	23834	16383	36881	33845	24757	21795	18615	18304	21429	0	10888	7864	7715	8046	1254	0	12151	0	1762	7330	6604	7348	21976	19166	1605	23375	8573	20544	0	13439	12789	1571	0	0	20213	9161	11072	0	21855	0	0	7364	1722	Phytochemical	0.20833333	1.2916666	0.041666668
12	C24 H31 O5 N1	414.2275	414.228	-0.19942757	414.22742	12649	12207	9398	10653	2985	2635	8429	14461	1730	24792	24661	8351	0	1994	5408	15673	14267	2119	4885	40803	44658	4848	9791	13434	8960	37846	7793	23409	13101	11088	14966	16600	21154	11872	32742	19699	18354	8396	11192	25109	5494	5242	0	0	0	10836	13788	0	14345	13136	10578	13888	2193	0	1543	1381	4296	11926	0	0	0	4085	0	2265	3151	2521	6318	32463	23485	55228	50594	13541	12148	16628	14576	15024	0	10535	9688	0	8987	1047	1151	19100	1437	2001	9912	5420	7012	29825	13710	3077	21161	11424	20740	0	10308	10525	0	1210	0	20619	9080	8408	0	18548	2090	0	6748	1441	Phytochemical	0.20833333	1.2916666	0.041666668
18	C24 H31 O5 N1	414.2275	414.2279	-0.29204652	414.2274	14620	18530	13871	15050	4121	6013	10726	13495	4492	24482	25098	11899	3059	7578	10891	19795	24437	7286	4347	32338	27388	13409	8531	11630	12507	44202	10629	26805	13618	14002	11286	11865	17775	13260	24686	17031	18796	6901	27283	20922	28325	7209	345	0	0	9783	17744	0	16043	11723	13596	13627	6421	0	5377	3638	4388	19056	3758	16808	18137	13933	3267	2416	3899	6748	10371	24120	32702	44987	58939	10731	10416	9319	20467	14264	0	8670	10506	16766	8295	8984	8910	14007	2344	4773	18258	12479	8117	37809	24460	19056	34222	13780	26705	0	13613	13457	5506	3679	4159	21071	9937	15429	7998	22565	1458	0	15227	0	Phytochemical	0.20833333	1.2916666	0.041666668
14	C24 H31 O5 N1	414.2275	414.228	-0.237712	414.2274	6952	8953	7107	8345	1879	4273	0	9736	2744	22120	16121	3283	1536	4515	4786	9474	8366	0	3844	31640	31899	4931	3763	5732	7306	45460	6287	24764	7802	5674	6150	0	12202	4577	22939	3611	5066	4587	9596	17432	7695	4433	0	0	0	5547	7136	0	10899	7754	7186	3950	3352	0	1687	843	2329	5776	0	0	0	4166	0	1891	3154	3087	4889	9846	24080	46497	38150	5850	6586	6249	6479	6950	0	5102	4986	0	6481	0	2239	10135	2646	0	5213	3919	3153	19850	15065	0	12170	8087	11589	0	11017	4921	1980	0	0	10392	4095	9885	0	6627	1606	0	6265	0	Phytochemical	0.20833333	1.2916666	0.041666668
12	C17 H35 O10 N1	414.23337	414.2339	-0.13299288	414.2333	5256	9270	9220	6994	2466	0	0	0	0	10000	8538	0	0	3570	0	3948	0	0	0	0	2502	0	3508	0	2458	0	4876	35104	0	0	952	0	0	0	3252	3881	0	0	0	16552	9396	0	5624	4080	4488	21912	28820	3832	0	3960	3766	5940	1990	4996	3644	2068	2360	0	48740	0	0	28204	49010	0	2630	0	3054	0	0	7246	0	0	0	2120	2310	2370	4284	0	0	0	0	2650	1562	0	2426	1584	0	0	0	0	7980	5958	0	0	5512	3824	6558	8906	2540	0	2414	3130	0	13060	1474756	0	0	3666	0	10612	Lipid	0.5882353	2.0588236	0.05882353
2	C18 H31 O6 N5	414.2347	414.2354	-0.122576	414.23465	1227	972	1437	1205	376	17567	0	1579	652	0	954	444	0	0	975	283	582	577	869	0	0	719	0	737	545	0	0	26753	734	0	851	489	1365	758	0	800	1403	627	807	0	0	0	0	0	0	0	0	0	740	431	1013	1764	506	0	2934	0	343	1255	0	0	413	0	372	1065	0	1168	431	1058	0	229	0	0	689	720	225	460	0	663	728	141976	0	0	0	0	0	716	1488	488	681	1956	28400	14687	1704	6062	0	0	964	1340	975	538	313	622	665	271	0	0	316	0	0	1795	Peptide	0.33333334	1.7222222	0.2777778
6	C18 H31 O6 N5	414.2347	414.23517	-0.0900243	414.23468	0	940	0	0	0	866	0	1563	0	0	0	0	0	758	733	931	0	0	723	0	0	0	670	0	703	0	0	4578	2092	0	800	950	931	0	0	0	0	517	0	0	0	0	0	0	0	0	0	0	0	0	0	682	0	0	0	0	0	1000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	585	964	0	720	0	587	653	13520	0	0	0	0	0	0	627	0	599	1530	23875	5916	0	2358	0	0	0	0	0	0	0	0	0	0	0	1048	0	0	573	0	Peptide	0.33333334	1.7222222	0.2777778
4	C18 H31 O6 N5	414.2347	414.23532	-0.036519326	414.23468	1111	1130	648	0	2018	1596	0	0	555	0	0	0	632	0	308	1484	0	423	366	0	0	0	414	0	370	0	0	5760	0	0	0	0	525	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	633	1050	960	0	589	0	0	554	0	0	0	0	0	508	0	1226	0	0	0	0	0	395	0	297	0	300	0	310	0	88343	0	0	0	0	0	0	1129	0	0	686	37817	13635	1234	4965	0	0	669	883	785	374	0	968	0	0	0	343	1285	0	435	1096	Peptide	0.33333334	1.7222222	0.2777778
16	C25 H35 O2 N1 S1	414.24612	414.24643	-0.39189664	414.24597	3774	2113	2686	1892	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4634	0	0	0	0	1897	0	0	0	0	0	0	0	0	0	0	2375	2538	0	0	0	0	0	0	109477	19077	0	5790	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2281	0	0	0	3345	0	0	0	0	0	50692	160392	0	0	0	0	0	Organosulfur	0.08	1.4	0.04
14	C21 H35 O7 N1	414.24863	414.24908	-0.25919032	414.24854	8494	7534	6749	6238	2101	3869	9635	19925	3696	2117	3435	6606	7121	1974	10722	13296	20146	5562	5863	5476	7339	7024	5735	10235	8419	2407	7375	0	16274	16066	13612	10094	14725	7856	6227	14503	12517	7189	18085	4718	3665	5041	0	0	0	11370	0	0	11587	11802	6972	7518	5138	0	5017	6461	3704	11350	0	0	0	2741	2928	5104	4245	5075	6902	17297	0	3566	1822	9105	10729	14524	12985	11849	0	7956	7586	0	4595	1363	2854	1908	8730	7072	11431	5397	4280	29815	15953	7012	10822	0	3098	0	6601	8519	3137	6551	12240	11271	6670	8018	0	7021	6359	0	4852	3829	Lipid	0.33333334	1.6666666	0.04761905
26	C21 H35 O7 N1	414.24863	414.24902	-0.16876328	414.24857	11223	10898	12244	9688	13319	6829	8202	10338	12739	13592	7087	3472	28874	10501	11034	11665	0	17943	18378	15340	10654	10457	0	17226	6648	6277	5372	8166	14430	8030	8706	11198	15088	10290	12757	11892	16012	6671	4467	12203	3748	0	0	0	0	13279	0	0	8546	9641	8944	12607	8708	0	14281	8348	5152	16862	10447	0	13790	5186	19705	11635	3278	17332	11613	4266	0	14427	7200	8319	13607	9828	6651	9110	0	6046	9527	5814	6552	5033	12074	8178	8730	0	10894	6552	7395	7508	15623	17804	19188	5887	12180	0	9634	11906	5516	8144	12109	12424	7042	11221	13174	9283	7471	0	8209	15707	Lipid	0.33333334	1.6666666	0.04761905
16	C21 H35 O7 N1	414.24863	414.24908	-0.23923065	414.24854	18428	20036	20189	21700	10490	11629	23216	25135	9331	3801	10144	16801	12373	11409	20339	34504	44505	12233	23382	16353	14488	11034	18282	30615	24293	10766	22091	9398	24422	32053	22486	22835	26168	19549	10250	33956	21340	16166	42722	8956	8300	15579	817	0	0	12521	10900	0	23818	26251	20427	15029	18474	278	20596	15769	13150	22043	9770	12296	23350	4504	10832	10487	8418	14723	12562	36995	10946	8197	9304	18256	22117	30394	34887	22281	0	14080	18863	13081	12195	7935	26184	14902	21822	13511	25363	12101	15611	90497	28743	20028	33734	8842	10734	0	18986	23693	9864	19929	32832	31780	13012	20593	0	29079	14503	0	23214	11910	Lipid	0.33333334	1.6666666	0.04761905
20	C21 H35 O7 N1	414.24863	414.24905	-0.20101626	414.24854	94339	91172	100221	87569	70066	122797	135031	124865	81038	72018	43673	72544	111096	61133	98545	118809	79374	127351	153972	92455	96131	68107	78395	106366	83266	67859	119869	57068	142195	114517	91885	100479	135347	100907	75091	124048	136479	72735	70644	56707	36026	86369	13849	13869	4178	65464	45072	14529	112908	97094	84624	85269	67953	5365	131620	86854	54041	101586	76378	41788	114259	43600	99423	84430	51219	102898	91940	70152	35470	66631	51652	79648	100928	109064	107844	106009	3919	72233	77257	56049	56865	31568	152694	111831	84329	74822	86477	67831	76532	55541	116882	111361	127435	34341	53227	13490	98871	114546	55468	83528	96541	163279	65348	112028	55061	94740	71888	14679	67163	95204	Lipid	0.33333334	1.6666666	0.04761905
26	C25 H35 O4 N1	414.2639	414.26428	-0.12807144	414.26382	9253	8817	10695	8003	7747	3716	5027	9279	2567	5469	12304	5793	0	3938	0	6245	13047	0	5531	8796	8715	6525	5193	7733	10050	33661	2799	13847	8768	11044	8226	8265	12226	8935	5323	13182	8367	4364	12922	9447	11007	0	0	0	0	7516	6450	0	8320	10232	8012	7810	4592	0	4366	0	3560	9648	5831	6049	10137	2774	1674	3541	2284	3731	5478	14222	20783	13906	21891	6444	8872	0	0	10479	0	4573	28729	12908	5683	6045	7911	9334	5855	0	34928	4578	5271	59398	11605	12294	16294	7338	7970	0	10161	10973	3598	6338	8492	13903	5548	12840	0	10814	4875	0	12412	0	Lipid	0.16	1.4	0.04
10	C25 H35 O4 N1	414.2639	414.26437	-0.14525522	414.26382	3109	3962	2138	3696	0	2284	5872	6701	0	2636	3000	6963	0	0	3659	5453	17204	0	0	6127	3543	0	3683	5523	2594	2505	9639	0	8722	6565	6006	6053	21778	6651	2594	7727	23407	3422	13342	0	0	5422	0	0	0	0	0	0	7703	6241	3879	4305	908	0	0	0	2652	7418	0	0	0	0	0	0	2552	0	5054	22602	0	1342	1539	7986	6366	6091	9671	4468	0	4219	3012	0	6018	0	0	1498	0	2355	1441	2528	3786	11291	3032	0	10152	1152	1920	0	3228	3172	0	0	0	21859	3512	0	0	5561	0	0	828	0	Lipid	0.16	1.4	0.04
22	C25 H35 O4 N1	414.2639	414.26425	-0.2301697	414.2638	6466	3822	2616	3793	3460	0	3744	6703	1587	2354	7494	2680	2464	0	2984	9597	12452	0	1671	2257	3660	6694	1603	4225	2401	14402	3426	5030	6210	3867	6065	6433	6030	3622	0	5931	5867	3353	10908	2389	10225	2429	0	0	0	0	5559	0	4839	5297	4816	2883	0	0	0	0	1680	4752	1681	8342	7961	1949	0	0	1769	2038	4439	14069	8686	6536	15063	2735	3145	3411	10304	5562	0	3725	5311	4221	4262	2055	3899	2277	0	0	3996	2970	2700	44843	4519	6274	22760	4232	3922	0	2660	4734	0	1409	0	7985	2572	4137	3037	10688	1080	0	4899	0	Lipid	0.16	1.4	0.04
14	C25 H35 O4 N1	414.2639	414.26443	-0.02202958	414.2639	1802	0	2661	2936	0	0	4437	3044	0	1929	4452	10304	0	0	3002	5163	4347	0	0	6574	4731	0	1540	4844	3687	4066	9140	0	7066	5225	5058	0	11360	7938	0	6020	11637	4178	1784	0	0	2220	0	0	0	0	0	0	8587	5577	2777	2144	1218	0	0	0	1521	2636	0	0	0	0	0	0	1169	0	2914	12815	0	2631	5194	4851	3909	5558	6630	4047	0	25413	0	0	1138	0	0	1011	0	0	0	1962	0	11134	0	0	9323	0	3832	0	2471	3897	0	0	0	12649	17359	0	0	4961	0	0	1119	0	Lipid	0.16	1.4	0.04
12	C25 H35 O4 N1	414.2639	414.2643	-0.21254216	414.2638	4935	2582	4609	4774	0	2357	6100	10234	0	3222	3498	7797	0	0	3070	8114	12276	0	0	5675	5706	0	4857	8373	4849	2784	8754	9829	12423	10587	11124	11908	18445	8437	3632	11654	22059	6546	7946	1163	0	6573	0	0	0	1974	0	0	11075	9155	3571	3854	1231	0	0	0	1112	8348	0	0	0	0	0	0	1686	0	3887	19952	0	2278	0	10483	7794	12581	13075	9411	0	8112	1748	0	4370	0	0	0	0	1592	3822	2595	3067	16232	3874	0	12500	0	1754	0	4949	3999	0	0	0	25881	9979	0	0	6911	0	0	1325	0	Lipid	0.16	1.4	0.04
24	C25 H35 O4 N1	414.2639	414.26425	-0.20912535	414.2638	10577	8155	11790	10240	7525	4446	7161	9429	3805	4972	13456	4255	1758	3798	3632	17224	22989	2674	7224	9300	12349	11570	4642	14585	7937	30092	9116	10044	6708	10544	6952	11255	8527	8833	5195	9558	13374	5548	22696	11466	17514	3289	0	0	0	8235	9647	0	10345	11296	12231	9260	5451	0	4054	2846	4640	12238	5858	14092	9118	5343	0	3574	3985	5821	5895	25464	19300	12126	24637	8583	9140	10400	9107	9391	0	6760	11832	11470	6352	4400	9660	8403	2027	0	16035	5512	5268	69916	13388	18128	27581	9911	9260	0	8796	8241	3670	4223	3768	16975	4883	15581	6262	13599	5156	0	11195	3152	Lipid	0.16	1.4	0.04
8	C25 H35 O4 N1	414.2639	414.2644	-0.18492335	414.2638	2312	2328	2622	3514	0	0	3774	3912	0	2009	1247	3286	0	0	1838	4342	11191	0	0	2035	3064	0	2075	3295	1879	0	7486	0	3394	3152	3573	3874	11513	4720	1131	5065	9544	1655	9275	0	0	3452	0	0	0	0	0	0	3997	4694	2081	2827	0	0	0	0	1573	2351	0	0	0	0	0	0	0	0	2903	25254	0	0	1697	3107	3853	5137	5939	3621	0	3814	3802	0	3674	0	0	1078	0	0	1624	829	2685	4782	0	0	5682	0	0	0	2573	1411	0	0	0	14434	2303	2333	0	1576	0	0	1145	0	Lipid	0.16	1.4	0.04
16	C18 H39 O9 N1	414.26974	414.27023	-0.18111801	414.26968	23200	21462	22496	20397	23290	20317	19692	14193	14130	11955	28029	22193	21084	23974	15508	9086	40774	19711	10176	10288	8691	7975	12544	12645	14824	10136	22542	21115	10242	14803	17069	17313	13667	16942	13404	10401	19859	17384	34935	13382	38303	21046	37477	42396	30941	12761	35730	38348	16512	17958	20422	26518	25127	42514	9999	14114	25170	10245	32526	40546	13660	27160	22567	18140	56259	39079	53009	35852	8760	13630	30918	17772	21639	12617	7944	18210	32709	17705	17285	26147	16777	21635	17544	15865	18131	40217	12914	38718	21338	28056	17157	26959	0	18128	13461	33517	15517	15407	22899	16868	16748	12869	17425	11579	444830	17777	16300	39321	17595	12905	Lipid	0.5	2.1666667	0.055555556
12	C18 H39 O9 N1	414.26974	414.2702	-0.35051408	414.26962	4357	5191	4264	4074	0	0	0	0	2305	0	9213	0	0	0	0	0	2249	0	0	0	0	4499	0	0	0	0	0	10425	0	0	0	1924	0	0	2536	0	0	0	0	12012	7708	0	389	0	0	12088	24630	0	0	0	3182	5341	1713	3738	0	3846	7081	0	211877	0	0	30968	1224	0	940	2125	0	0	0	0	1522	0	0	0	3238	0	0	0	0	0	0	0	0	0	0	0	0	1107	0	0	0	2498	0	0	3542	0	5546	6467	5308	0	0	0	0	4355	1172561	0	0	0	0	0	Lipid	0.5	2.1666667	0.055555556
0	C19 H35 O5 N5	414.2711	414.2711	-0.4191705	414.27094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10189	0	0	0	0	714	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51084	0	0	0	0	0	0	0	0	0	0	43959	5092	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2631579	1.8421053	0.2631579
26	C22 H39 O6 N1	414.285	414.28534	-0.21072505	414.2849	11373	7541	11006	8590	13743	6718	46012	5847	8882	4361	5272	0	18217	13121	6378	10190	11227	8544	15747	0	0	3476	0	0	9514	0	56303	16472	18488	9471	6421	12448	14937	9525	4715	11095	14315	4913	6062	2259	0	6854	0	0	0	0	0	0	11785	0	8503	8778	11504	0	13844	12890	7913	11461	12372	3317	7706	7107	17495	10443	12671	27941	36881	6066	0	1976	0	3952	7977	8864	0	6318	0	2708	3717	13740	0	6753	13825	7250	11017	11179	9653	8899	9470	5938	46004	34070	7829	5122	0	0	7984	9357	6155	21682	19239	11159	0	11001	38106	8084	10745	0	4998	7224	Lipid	0.27272728	1.7727273	0.045454547
24	C22 H39 O6 N1	414.285	414.2854	-0.20392247	414.28494	9882	11118	7837	13878	12811	7408	98743	7842	5302	2622	7594	3366	10968	20222	7157	11111	37868	11630	18897	7205	4544	5771	4552	3438	9507	6030	76969	18962	14865	11401	8456	14492	14241	13770	5993	16699	18826	6738	37317	5145	5394	10079	3200	0	0	6535	4283	0	16242	8106	14206	11166	12089	0	7699	5785	4822	12030	7198	8334	7751	2774	11303	7225	13375	26941	28295	36098	0	2340	2703	6346	11086	14005	9424	11465	0	4830	4329	19171	0	6925	27429	28691	6505	9878	8989	6939	13313	8443	44726	39078	11404	5622	6906	0	13728	11526	5302	5995	11828	19733	3239	14555	26230	9490	6708	0	8473	8782	Lipid	0.27272728	1.7727273	0.045454547
6	C22 H39 O6 N1	414.285	414.2854	-0.10227375	414.28497	1323	783	1313	1684	0	0	691	22371	0	0	0	7996	0	0	689	9537	0	0	0	0	0	0	0	0	1269	0	1215	0	2997	10168	10481	2721	803	0	0	2567	0	819	0	0	0	0	0	0	0	0	0	0	5606	23152	1807	809	0	0	0	0	0	3625	0	0	5782	0	0	0	0	0	0	0	0	0	0	2242	0	6633	1966	4033	0	8289	0	0	0	0	0	0	0	0	6219	0	0	3968	0	0	0	0	0	0	1374	973	0	0	0	0	5256	0	0	0	0	0	770	0	Lipid	0.27272728	1.7727273	0.045454547
22	C22 H39 O6 N1	414.285	414.28543	-0.12453622	414.28497	4951	6467	4662	4829	3864	3035	60707	3179	1116	0	0	2264	2504	8444	4778	8336	9093	3794	5442	2001	0	2765	2387	4660	8036	7810	49044	1963	6537	3585	3483	4911	6373	6287	0	7153	6378	5818	6817	0	0	4508	0	0	0	1849	2469	0	6624	4737	5414	4153	3449	422	2686	3104	2983	5863	2221	5406	6735	0	5083	1436	8141	9458	9648	7983	0	2340	0	2602	5187	6499	12209	4942	0	3338	3624	8115	1264	2437	39032	27329	3533	8439	7967	6357	6714	15368	13192	8886	6766	1976	4759	0	5665	3669	0	2007	2025	4567	1594	5036	2292	3198	3618	0	4991	0	Lipid	0.27272728	1.7727273	0.045454547
14	C26 H39 O3 N1	414.30026	414.30093	0.024945647	414.3003	0	0	0	0	0	0	0	3000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3607	1783	0	0	0	2005	0	1728	1400	0	0	0	0	0	0	0	0	0	0	0	0	62278	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9230	2126	2252	0	2217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.115384616	1.5	0.038461536
16	C26 H39 O3 N1	414.30026	414.3007	-0.10450571	414.30023	3643	2236	4928	4821	0	0	2709	27127	0	0	0	13880	0	0	6325	3024	0	0	0	0	0	0	0	0	0	0	7982	0	31279	69217	40018	15921	3063	4192	0	26731	2432	5875	0	0	0	0	0	0	0	0	0	0	16700	161435	4970	4062	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2535	0	0	0	47863	12543	25386	164933	52509	0	12578	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2916	5162	0	0	0	3548	10528	0	0	0	0	0	0	0	Lipid	0.115384616	1.5	0.038461536
28	C26 H39 O3 N1	414.30026	414.3007	-0.056629684	414.30023	4003	5695	4791	3824	4830	3837	3655	4319	2478	1705	5258	3212	1782	2871	3364	2196	4033	2285	0	4016	2792	4486	2049	4827	4728	3026	3002	1939	4372	5157	4476	4581	3915	3628	4172	2796	2830	4038	3379	2476	2828	2752	3825	4692	4889	2187	5154	4933	3817	6101	3679	3757	3546	0	1890	2248	4451	3544	3625	3734	2617	3269	3395	4284	3713	2692	3509	3108	0	3356	4488	3493	2651	2308	3582	4385	0	5706	2219	2971	3974	4668	3637	5659	2961	2462	4594	6648	3980	71294	3950	3672	0	2301	0	5448	3087	3510	4062	3021	1957	2560	4142	2282	3386	3233	3802	4228	4514	3069	Lipid	0.115384616	1.5	0.038461536
10	C26 H39 O3 N1	414.30026	414.3007	-0.07524018	414.30023	4409	6514	4351	5885	0	0	0	2830	0	0	0	1314	0	0	2252	5235	0	0	0	0	0	0	0	4480	4929	0	1212	0	3550	1509	3729	2229	0	2478	0	1635	1502	2106	0	0	0	0	0	0	0	0	0	0	3384	1017	4340	4855	0	0	0	0	0	4603	0	0	0	0	0	0	0	0	0	0	0	0	0	1334	0	0	3385	925	0	1382	0	0	0	0	0	0	0	0	0	0	809	432723	0	0	267976	0	0	0	3708	6496	0	0	0	1426	1002	0	0	35542	0	0	933	0	Lipid	0.115384616	1.5	0.038461536
24	C23 H43 O5 N1	414.3214	414.3214	-0.09962833	414.32135	0	0	930	0	0	844	39268	0	0	0	0	0	0	9291	0	0	0	0	0	0	0	0	0	0	0	0	28330	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1431	0	0	0	0	0	0	1490	0	0	0	0	0	0	0	0	0	0	1225	2830	0	4465	0	6803	0	1992	0	0	0	0	0	0	0	0	1406	0	0	0	0	0	729	6378	5931	0	0	0	0	0	0	2090	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3301	Lipid	0.2173913	1.8695652	0.04347826
26	C23 H43 O5 N1	414.3214	414.32162	-0.116517335	414.32135	1934	0	0	0	0	2281	91769	0	0	0	0	0	0	20648	0	0	0	0	0	0	0	0	0	0	0	0	70133	6312	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1882	0	10253	0	3823	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12711	8703	0	0	0	0	0	0	3567	0	0	0	0	0	2028	0	0	0	0	0	0	0	0	0	0	0	0	1900	Lipid	0.2173913	1.8695652	0.04347826
28	C19 H10 O11	415.0296	415.02997	-0.100620754	415.02954	6629	7679	6485	5857	18226	7249	3724	0	14809	0	0	3891	25679	9146	5194	4791	3028	26228	27884	0	0	2208	7380	2274	2772	0	5343	0	0	0	2702	0	2435	1129	0	0	3483	4717	3213	0	1548	6671	0	0	0	0	0	1092	2399	0	7960	6619	13082	0	18468	10548	6416	3463	1040	1088	3358	0	30624	18004	5816	24121	7658	4778	0	0	0	0	0	0	0	0	0	2727	16491	0	13278	0	1123	0	25451	9596	12385	8574	9016	4509	0	1043	5491	2260	2145	0	5938	7239	8272	17645	19466	6417	2735	0	0	3420	13404	0	5623	27392	Phytochemical	0.57894737	0.5263158	0.0
26	C19 H10 O11	415.0296	415.0299	-0.1178074	415.02954	5638	5853	4855	5078	16968	6350	2381	0	12330	0	0	0	20223	10940	0	0	0	24635	20534	0	0	1676	5463	0	0	0	1802	0	0	0	0	0	2217	0	0	0	3646	5524	0	0	0	0	0	0	0	0	0	0	0	0	5287	5781	9939	0	12582	11215	6202	2039	0	0	0	0	26301	15602	5430	15680	5072	2178	0	0	0	0	0	0	0	0	0	3007	12507	0	11873	0	0	0	22554	11042	9123	5614	7663	4073	0	0	0	0	0	0	6383	0	5794	10258	13914	0	0	0	0	3054	11071	0	3000	21957	Phytochemical	0.57894737	0.5263158	0.0
16	C20 H14 O10	415.06598	415.0665	-0.053025875	415.06595	27353	33523	23328	25886	50556	22851	6076	5482	64680	69134	40925	8399	82264	23035	13000	9126	4879	59714	62645	39578	54657	79149	20015	11772	4953	14444	8781	10875	3035	1610	4889	5472	13949	2440	96925	1654	8241	11168	8458	27649	42596	12024	1138	0	0	19684	41581	598	5162	5315	38880	27544	36722	0	58124	41822	21544	12262	7398	10446	7034	19981	95588	45770	19610	62398	25533	3245	20318	23075	31288	3102	1616	0	3632	2283	323	5980	31017	67657	25678	32113	4829	15585	65891	28838	25343	20273	21567	0	13167	15102	0	90225	88508	0	29814	23902	51906	59794	56519	8481	7895	11052	26251	0	48164	0	7427	83649	Phytochemical	0.5	0.7	0.0
18	C20 H14 O10	415.06598	415.0665	-0.008318213	415.06598	36254	32679	23231	32458	56062	26346	9027	4139	56122	57317	32939	8286	84649	24531	14582	10576	4892	59889	67362	35818	38084	65391	22124	10535	7435	14837	9085	16283	5082	3314	6535	0	10586	0	73369	2029	6998	13848	7145	23394	29534	16072	1500	0	0	26278	38865	971	4697	5183	36163	30156	39982	222	60938	52929	23121	12475	8308	9145	9295	25233	101129	55518	24482	67664	25719	4878	21399	15313	23553	3010	1828	1511	3870	4459	474	7126	35378	51497	26365	32133	7595	13781	77321	39623	29802	23692	24945	12175	9045	15729	18377	72548	70480	0	35957	26977	45701	72394	62413	8110	7040	8010	25298	13549	37537	0	10167	84633	Phytochemical	0.5	0.7	0.0
28	C20 H14 O10	415.06598	415.06635	-0.1215708	415.06592	7429	8720	8775	8444	14922	9419	4100	0	15724	9017	3168	1869	30866	9891	4086	3710	0	30659	21801	5398	8407	13922	7431	3031	3539	0	3237	1303	0	0	1700	1325	4049	1196	14068	0	3940	4418	1919	3257	4038	2730	1377	0	0	4047	6008	0	1044	0	9731	7312	11857	0	19025	14748	6623	3698	4228	1792	4982	3789	31156	16935	6678	20091	3965	2560	2948	2811	3347	1265	0	0	0	0	0	1084	13308	7519	12231	3099	2326	2051	24463	11784	9882	4849	5770	3869	2435	6310	5155	14768	20263	0	7920	8673	9912	18239	18132	4522	1391	2941	3085	3345	12733	0	4920	30246	Phytochemical	0.5	0.7	0.0
22	C20 H14 O10	415.06598	415.06644	-0.10217797	415.06592	13077	14616	10182	14204	29765	20593	4129	3737	40109	20547	8884	4841	44339	20531	6919	4790	3067	41553	31722	11296	10646	34914	12416	7370	5914	5719	5817	2234	0	0	2354	0	6485	2513	24536	1837	8001	11438	5958	6967	7430	6781	0	0	449	11925	17497	0	4475	3063	14817	15284	22997	745	29803	26967	15860	9088	4368	4516	6362	9591	48229	34348	8941	44996	11698	3575	7082	4717	4834	2834	1090	0	2499	1429	840	6821	26752	19722	23796	10884	3051	3490	47776	21640	19507	9548	15065	4599	6511	5659	11865	39063	42121	0	13491	14880	22978	44116	34864	6664	3134	3167	8179	7515	30271	0	7507	49500	Phytochemical	0.5	0.7	0.0
26	C20 H14 O10	415.06598	415.06628	-0.16376023	415.06592	7331	8183	8548	7826	19563	9674	1823	0	21383	9645	2338	0	40735	9066	0	0	0	32885	23052	0	0	17643	6276	0	0	0	2964	0	0	0	2862	0	4572	0	12109	0	5071	5478	0	3601	5444	0	0	0	0	0	0	0	2068	0	11662	8712	12084	0	30052	15736	7165	3886	0	6364	0	4947	34888	15325	5048	22425	7533	1926	0	2463	4168	0	0	0	0	0	0	2693	17265	9153	15521	4528	2301	0	32084	15417	11156	7566	4527	2519	2161	2315	4232	18141	23447	0	8401	6319	11724	18327	19825	0	0	0	0	2513	10211	0	5437	37087	Phytochemical	0.5	0.7	0.0
24	C20 H14 O10	415.06598	415.0664	-0.033146758	415.06595	10151	10964	10611	9470	22213	10669	3280	1254	22901	15322	3838	2972	43867	10067	3620	3261	3121	34032	28052	4560	8084	28176	9775	4034	3707	3887	1841	1769	1416	0	1807	0	2583	1105	16358	0	6007	4570	2848	5602	4963	4012	0	0	0	6255	6569	0	1530	0	9839	12124	16153	0	30777	22543	9446	3226	2909	3319	3771	5578	41536	27297	7533	27300	7287	2097	3900	4058	5391	817	0	0	1926	936	0	2414	20922	14700	18618	8103	1585	3990	33207	12208	11999	6285	8151	4822	4760	4290	7015	27625	31163	0	10093	12305	13806	30925	27715	4570	1441	3891	4771	2749	17796	0	4490	43747	Phytochemical	0.5	0.7	0.0
20	C20 H14 O10	415.06598	415.06644	-0.041394472	415.06595	25656	23919	27549	22333	44667	26777	7090	4366	50134	36983	21732	3579	76442	21029	12952	10529	4608	58207	57187	20121	28209	53105	14978	4371	8645	10479	9170	4266	3152	1493	3997	3027	8663	5313	37538	0	8527	12614	5187	15659	20662	10601	2025	0	485	16373	28592	1472	4845	0	23928	27453	33532	643	52497	45052	20805	6108	6669	6953	9115	15262	71487	47456	16536	52649	16597	7450	11253	13514	14458	3645	2595	0	4106	2580	626	8229	36289	42919	25910	18925	4659	13186	52294	30079	31366	15277	18356	14389	5947	10120	12005	60478	52503	619	24271	25851	36589	57327	52745	10521	6453	7050	21451	9667	36462	0	9428	74261	Phytochemical	0.5	0.7	0.0
14	C20 H14 O10	415.06598	415.06656	0.012341076	415.06598	23005	18657	22604	22661	38040	14856	5464	1684	40729	47104	33991	5499	55273	13952	6639	5418	3883	40187	36226	27140	44749	65066	11417	5776	4462	8859	5102	15899	2519	2443	1678	0	9353	0	69923	0	6645	7625	4102	21316	38407	9048	0	0	0	19318	34263	0	2363	1611	23473	23152	24006	0	42456	29033	18260	7888	5712	6166	0	19541	70064	37787	13633	41600	15950	6282	18258	11758	26574	1980	2498	0	3838	2043	0	5134	22842	43984	15263	23588	4001	5018	41775	19661	13999	13050	20495	5566	5675	7678	10004	80953	62955	0	21247	15971	35766	47068	36399	5868	6124	4333	0	7132	27608	0	3832	40621	Phytochemical	0.5	0.7	0.0
16	C19 H14 O9 N2	415.0772	415.07776	-0.07917347	415.07718	5149	6249	3309	5058	9082	1737	1426	0	9973	12268	9173	1030	12459	3422	1807	0	2620	7176	6593	3700	10730	21709	2869	0	2302	0	2333	2569	0	0	0	0	3648	0	14758	0	3332	2206	2587	8362	15917	2375	0	0	0	5878	15325	0	0	0	3921	5258	4071	0	8413	7215	2499	4057	1385	3111	0	7837	11899	9408	3556	6775	4184	2260	4015	3800	11375	0	0	0	1717	0	0	1344	4169	13209	3271	8402	1221	3936	8949	2688	4289	2906	2791	0	0	2875	0	23847	24687	0	6022	4777	4857	11582	5900	2625	0	0	5520	0	4730	0	0	12811	Phytochemical	0.47368422	0.7368421	0.10526316
20	C19 H14 O9 N2	415.0772	415.07782	0.037755996	415.0772	7642	0	4462	2966	7322	7694	2690	0	3622	14726	3052	2256	5028	3300	5122	3470	0	9008	5532	4630	15922	22462	6102	8400	0	0	0	0	0	0	0	0	3044	2484	8076	0	3172	0	3170	15252	25576	3242	0	0	0	10092	22040	948	0	3052	3238	4298	6030	0	0	5558	3796	7852	2896	5054	6018	14436	14956	10972	5160	10918	6572	2846	4732	7792	8506	0	0	0	0	0	0	3742	8112	20826	2434	12328	0	0	6886	4902	7904	7844	3368	11740	0	0	7826	40050	29712	0	6560	7378	3778	10644	3758	3986	2642	0	9492	8988	5056	0	0	17958	Phytochemical	0.47368422	0.7368421	0.10526316
6	C17 H18 O12	415.0871	415.0879	0.10972362	415.08716	3793	3068	1894	3455	8267	2393	0	961	9539	3101	3334	1982	21246	1682	825	1142	0	8942	11272	1150	3201	2622	2877	1077	0	0	0	0	0	766	0	0	0	0	3604	1277	1627	2014	0	0	0	2594	0	0	0	0	0	0	0	0	4453	2863	4993	0	8729	11628	4032	833	0	1441	2369	0	23629	8998	3268	11810	3386	2346	0	0	0	1004	770	649	1816	0	0	845	2910	0	2682	594	0	0	15053	3497	2824	3533	3885	2504	0	0	1472	4296	0	0	3861	3877	7970	20936	21571	1937	1661	0	0	2265	8735	0	613	20458	Phytochemical	0.7058824	1.0588236	0.0
14	C17 H18 O12	415.0871	415.08768	0.01628453	415.0871	30243	27508	33432	29992	58573	38527	6521	9566	83532	17818	25567	22883	134782	23285	21098	8634	10010	75990	71068	17648	30974	40073	29081	7981	1885	0	7746	0	8944	4945	9859	8331	16392	6449	27342	5313	17871	18633	9345	11282	21353	29551	0	0	0	13498	36811	0	9736	11118	25878	26260	43899	0	96410	62092	28769	7273	12498	10968	0	18901	149109	114120	22844	83623	36428	11342	0	2520	9055	9009	6621	3706	7898	6847	0	17583	15922	24112	14848	16685	3316	0	61858	25457	18936	33206	29417	9390	3564	10868	19903	44062	16824	0	26346	31565	60521	60495	57582	20810	19465	5593	18059	18191	42131	0	5101	151968	Phytochemical	0.7058824	1.0588236	0.0
10	C17 H18 O12	415.0871	415.08774	0.017076265	415.0871	25158	24484	24135	22270	48015	24776	6681	11656	74691	17457	25367	18909	108188	18215	12584	9755	13866	61832	61670	13353	30335	42441	22875	13442	2671	0	6955	4686	7238	7969	6973	7020	13776	5586	26148	4655	14861	14976	13041	7967	16606	25941	737	0	0	8647	19110	0	8645	8067	21922	29329	39452	0	71923	62716	27180	8302	9028	15536	12056	9475	118626	85947	24594	71196	29338	13197	0	1818	7584	6579	8027	4485	12233	7012	0	10554	24283	20179	15844	8280	2986	0	60291	18479	17986	23447	26945	13203	0	10336	12085	49332	28193	0	23756	25039	53620	79862	65657	19916	11592	6161	0	10803	43729	0	6096	114808	Phytochemical	0.7058824	1.0588236	0.0
8	C17 H18 O12	415.0871	415.08777	0.02193343	415.0871	11079	14924	12756	16726	26718	10707	2306	3388	30147	8546	12709	8431	55498	7762	4359	7592	8116	27374	30785	7004	14629	17836	10699	5088	773	0	1883	0	1964	1977	2390	3687	5155	2294	12654	2400	6856	6604	8154	3285	8278	12729	0	0	0	2332	9292	0	2090	4236	14807	13581	16979	0	30482	36565	13899	5110	2068	7350	0	2988	64781	37644	14956	34074	10376	9762	0	0	0	4399	3599	2044	5430	2020	0	4252	12380	11800	10010	1771	0	884	38683	13599	9089	13883	14798	9257	0	0	5825	24940	15993	0	17022	13955	31251	55306	49816	9330	5203	2925	0	6262	30418	0	2711	56289	Phytochemical	0.7058824	1.0588236	0.0
20	C12 H23 O12 S1 Na1	415.08807	415.08826	-0.18872143	415.08798	29616	12531	15216	14955	44022	20826	0	0	35739	67812	57111	9881	39261	11850	6588	0	6981	44961	30294	20490	59763	62949	11319	0	5979	85731	9798	32937	0	0	0	0	5502	4971	73599	0	7983	6378	8493	62394	70791	15774	0	0	0	27885	65532	0	0	7158	25368	14235	23700	924	41910	24597	12027	4701	15402	5709	10071	42171	52116	40092	7890	37074	14004	10095	95385	217002	121299	6003	3957	5220	0	0	0	0	5496	73005	13785	25050	5595	37857	26595	10560	10575	10497	18303	5022	48045	36063	10164	98142	90030	0	13380	21804	29325	20430	15945	0	4458	5712	38358	4860	30843	0	0	44694	Organosulfur	1.0	1.9166666	0.0
6	C15 H18 O8 N4 S1	415.0918	415.0926	0.32478088	415.09195	0	0	1031	0	573	0	0	0	867	0	0	0	978	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3819	1068	3676	0	1487	0	5677	0	0	1065	0	0	593	0	0	0	0	0	0	0	634	0	0	538	0	0	718	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3691	35845	0	2565	0	439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	982	669	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.53333336	1.2	0.26666668
8	C16 H18 O11 N2	415.09833	415.09906	0.08118902	415.09836	18248	18318	13586	17859	22659	11817	7113	5217	30535	23077	18802	11295	41306	2993	8884	14425	15146	23366	35487	16888	25620	35133	16574	11254	1266	11315	2174	4542	4732	6253	8817	6154	10943	9501	31405	7312	13061	10025	17761	10897	23794	13609	0	0	0	7257	22235	0	7212	9149	4556	22489	16722	0	40456	24272	14526	12897	7204	15524	0	12374	69034	41070	17867	27019	16564	21545	16088	14821	22125	6712	11216	3795	16080	5617	0	8359	14398	3213	10670	9557	2464	3507	29955	0	5966	21815	19139	25105	0	0	19402	16741	13744	0	13904	21390	24727	32616	24462	13818	8784	13319	0	17314	14467	0	2595	67970	Phytochemical	0.6875	1.125	0.125
6	C16 H18 O11 N2	415.09833	415.09906	0.083311856	415.09836	5610	4827	4776	7707	9291	5184	0	5589	11151	0	0	5442	23124	0	4299	2583	3864	10320	10929	0	0	6624	7308	3636	0	0	1842	0	3786	2925	2661	0	8142	0	4227	5121	3648	1713	5697	0	0	5814	0	0	0	0	6135	0	3420	3657	6516	4188	8040	0	13716	14076	4104	3666	0	3462	4065	0	27930	15912	6075	12810	6438	4188	0	0	0	3384	2298	2262	1620	2784	0	2328	6021	0	3840	0	0	0	15093	0	2895	7962	8784	11811	0	0	6401	5445	0	0	4356	5499	6360	13044	12747	9096	3708	0	0	4395	0	0	0	35268	Phytochemical	0.6875	1.125	0.125
10	C16 H18 O11 N2	415.09833	415.099	0.18706444	415.09842	4580	3648	4004	2957	4853	2383	1242	2185	11065	0	2530	4614	14712	0	2242	3384	3385	11008	9904	0	5807	6981	7087	3095	1011	0	0	0	1645	3434	3932	2697	3091	1042	5717	2239	2825	2213	3250	3377	5047	7222	0	0	0	0	4850	0	1449	2820	4303	5834	3773	0	15324	7340	3843	1611	0	3549	0	2730	19034	14682	3680	8043	3151	4472	0	0	0	1092	3290	1739	5721	1827	0	2181	1656	0	2163	1777	0	0	7634	4079	3142	8261	5727	8468	0	0	7049	2547	0	0	4244	5345	4311	8956	5741	7542	4397	0	0	3635	6454	0	1137	22158	Phytochemical	0.6875	1.125	0.125
20	C21 H18 O9	415.10236	415.1028	-0.08233478	415.10233	85357	87734	80684	81128	111156	79012	26057	25448	119517	242118	122096	23047	154326	73160	37974	38247	21300	140053	131025	164742	168380	138592	45562	36410	32284	154778	21776	82869	19467	15574	18928	18685	33180	17544	281401	13952	41840	32477	13892	105978	90788	31426	4168	0	599	113650	132860	1557	27482	17024	75679	83771	74735	811	108900	103600	47562	30116	36209	20366	27966	76626	178197	106160	44491	122903	59527	23875	146176	186479	210755	21042	13422	9000	12706	17586	798	27098	71532	117986	59470	95832	26072	99214	131983	64039	61003	41191	40930	24821	53054	67375	43448	138288	163058	992	93262	66925	93547	114761	101450	27633	18312	40734	90461	24426	87766	777	31885	176184	Phytochemical	0.42857143	0.85714287	0.0
22	C21 H18 O9	415.10236	415.1028	-0.106460094	415.10233	47874	42724	38412	38416	66606	35534	9311	7931	68150	110843	49591	13781	78195	32741	20796	14998	9128	73800	54476	77237	63744	80589	28554	19068	13185	83243	9284	40515	6515	7281	9905	6429	13219	8663	121713	6942	22054	15645	7149	46348	45233	14821	0	0	839	52883	64367	0	9566	6723	36407	40906	44984	583	70255	55341	27138	15580	13729	11578	15370	39643	90996	57767	21443	68236	26972	9712	66316	108615	92809	7289	4199	1910	4227	2658	672	10716	43845	53212	34596	42976	10685	32149	84082	40200	33028	21760	20381	12723	19746	25078	21274	86642	103784	0	43153	37517	51550	67533	59191	15661	10880	13896	41873	13074	49593	0	14043	97000	Phytochemical	0.42857143	0.85714287	0.0
16	C21 H18 O9	415.10236	415.10287	-0.06457575	415.10233	111288	126647	114100	115412	122828	75166	37802	38724	140657	388796	189992	40585	172145	73324	54240	55143	32678	143324	167303	245606	235349	180865	69943	55012	41269	214421	35121	128813	37229	33674	41674	41240	57424	32371	449055	30577	55184	47009	38515	157572	144479	46685	3584	0	413	151529	185919	866	44552	38257	112608	122391	90046	454	124330	108797	60447	54734	53915	38478	62863	109712	189687	109697	52249	139894	79989	42164	223737	289713	283952	36840	29234	22165	24767	30193	651	31927	96952	139773	69119	156505	38363	116762	136844	79233	88849	51995	60554	47195	76318	96444	60370	192912	234364	988	111156	105537	124265	113525	115608	43896	32566	46469	113624	54122	105104	665	46046	163185	Phytochemical	0.42857143	0.85714287	0.0
28	C21 H18 O9	415.10236	415.10278	-0.10944728	415.10233	8595	8370	8889	7837	14031	7420	2707	2951	16013	22573	6842	1836	23912	6809	3070	4378	0	18520	15429	11417	15372	19507	5401	5506	3832	10266	1558	6168	0	0	2371	0	1558	0	22912	0	3575	3762	1884	7011	8906	3588	0	0	0	7283	9932	0	1973	0	8019	7160	7810	0	13563	10210	5322	3359	2595	2280	3554	4374	21507	12439	4589	17364	6914	2621	14294	19847	21597	1909	0	0	0	1281	0	1869	10924	7412	9062	6902	2357	6095	16992	8678	10169	3903	5039	2112	3475	5857	5246	13383	24129	0	7434	10163	9932	13313	13260	3339	2663	3812	8197	3253	7679	0	4167	18620	Phytochemical	0.42857143	0.85714287	0.0
24	C21 H18 O9	415.10236	415.10278	-0.08923843	415.10233	22831	19698	19486	22214	34562	16961	4576	6619	33533	58558	20255	4933	52446	12964	7149	6847	2961	40734	34696	33453	39192	37208	15437	6220	7082	38227	3602	13634	3169	3378	3686	2680	3673	1435	62546	0	7394	5262	6027	24807	23423	5731	0	0	0	26830	34108	0	2374	2897	21723	19124	17750	0	39191	32766	15089	8706	7859	4080	5001	14517	52025	30902	12657	33388	13324	4348	39246	50869	51782	4167	0	0	1566	2363	0	4052	23981	24904	16819	21886	4076	15074	53082	19559	15857	6907	8956	5141	7338	11556	7149	42070	62854	0	17912	18988	26494	36464	34889	3699	5314	4822	18805	3259	27282	0	6527	55328	Phytochemical	0.42857143	0.85714287	0.0
10	C21 H18 O9	415.10236	415.10297	-0.047136564	415.10233	21211	16539	17313	15683	12945	10978	6170	9451	20966	49113	30982	8735	18305	9023	7287	13209	12710	20012	18171	32888	47075	28730	12398	10524	4384	27922	7942	19875	6006	7269	6875	10209	12764	5600	62325	8578	10254	10517	8591	25294	31623	6922	637	0	0	22575	42120	0	6108	7483	20348	20645	10524	0	20335	13750	8776	11512	10540	16877	11214	17009	22220	15785	6251	21947	11287	11663	48764	43261	58948	8800	8288	7399	6269	9016	0	7528	20730	17508	16243	19527	7275	12382	21542	10928	13651	10858	9487	15781	6334	9241	10098	29479	27328	0	17057	19513	20310	18226	15946	13166	6773	10901	27601	10025	14317	0	7871	22366	Phytochemical	0.42857143	0.85714287	0.0
18	C21 H18 O9	415.10236	415.10284	-0.04935513	415.10233	133819	127645	113610	109226	140970	94581	39484	41489	143362	407895	215204	31372	218858	77110	51842	53021	27480	169662	189672	271830	235026	231107	65467	62635	41451	232815	39155	150587	37003	25964	31076	33900	63254	32592	434323	25774	52570	52204	34459	163702	154060	49760	3984	0	679	167975	184784	708	40057	30575	124858	118869	103982	872	167566	123993	68208	62037	48027	40145	51270	123949	218983	129560	62062	147376	87410	37468	212847	301261	287515	33692	23467	16719	28480	31422	509	30055	98816	148428	78827	149804	39615	119166	160233	90752	83151	57123	72982	51332	75999	103195	80440	180971	289892	604	113646	117197	140653	124766	130997	47172	32258	54077	118606	46034	104870	724	48346	202365	Phytochemical	0.42857143	0.85714287	0.0
26	C21 H18 O9	415.10236	415.10272	-0.18971479	415.1023	11945	12175	12398	8604	19253	11463	1651	0	23065	32047	10658	0	37882	13416	7253	5706	0	26421	23062	19463	24463	27949	10034	0	0	18267	3816	8968	0	0	2380	0	2554	0	41565	0	3339	4319	2587	11996	12425	0	0	0	0	12312	20734	0	2694	0	11953	10574	13081	0	26439	20159	9206	4621	3150	3371	0	6514	38642	20049	6512	23854	5120	3247	20501	32078	36034	0	0	0	0	0	0	3656	13168	15743	13702	8158	3653	8040	34140	14619	10392	6537	4638	5020	5099	4745	5712	23228	38761	0	13900	11896	13587	22001	18352	0	0	0	12087	3335	13780	0	4483	36606	Phytochemical	0.42857143	0.85714287	0.0
18	C18 H22 O9 S1	415.10574	415.10623	0.11499284	415.10577	14538	11755	28246	14822	23962	24570	14188	6554	28238	44475	27940	12244	42010	3714	15120	5955	5488	42018	23718	27480	22968	34565	7428	7892	5734	8717	4001	13567	0	2584	3656	6613	17118	5002	59264	6361	7781	5657	6343	27381	18898	7900	0	0	0	22678	8805	0	7350	5830	9555	13224	21484	0	28382	17828	6628	13092	16538	8131	6962	20484	10130	26134	4217	10676	6638	3218	7994	13299	12247	4568	4290	4789	4632	5794	0	4516	7180	21428	7001	8407	8938	12313	21624	5707	5184	6686	19776	8297	22894	39557	12140	29910	31319	0	10629	27314	28700	7900	18820	6710	3478	11152	16146	5865	10837	0	4714	17169	Organosulfur	0.5	1.2222222	0.0
20	C20 H18 O8 N2	415.1136	415.11404	-0.16495842	415.11353	28738	33982	17114	32037	29696	26118	11016	13094	31254	48236	40194	8894	27348	12952	10948	15366	10374	24500	27248	36282	68372	72422	14358	22902	19516	33126	6138	29124	12836	7474	9023	10542	23066	4695	61042	7944	22762	11284	16492	47328	72906	14822	0	0	0	39800	62546	0	17190	6484	13642	28614	14968	0	18198	14532	10758	15544	15402	9732	14092	34582	38604	21360	23106	17294	13244	15158	48786	56740	82522	12715	8747	9695	8078	6020	0	10254	28112	57178	19604	37310	9020	29420	30294	13462	20606	17960	19122	37176	19632	27274	33310	52322	62482	0	30752	26638	12718	26664	20556	21218	7142	20480	31170	20374	31412	0	31730	36996	Phytochemical	0.4	0.9	0.1
22	C20 H18 O8 N2	415.1136	415.11407	-0.09629631	415.11356	8264	4114	8139	7943	9384	3236	2909	0	6893	15885	18791	2696	5931	0	6194	2409	6930	7121	8095	10443	8715	20083	3020	4094	1503	18766	2052	10622	1659	3522	4568	0	3549	2208	14585	4143	9327	3596	8407	13339	23490	2858	0	0	0	15039	27709	0	4806	1107	7642	7434	6161	0	6884	4992	6109	3166	2941	5537	6621	13369	8977	4669	2223	5630	3197	2863	30087	20736	37075	5997	2027	0	0	2180	384	0	4094	19169	2913	13356	3582	9148	9008	1267	4583	7719	2314	6162	2595	6526	11733	25363	18587	0	7845	10238	6692	3855	6188	8160	0	2967	13256	7307	6932	0	3073	10361	Phytochemical	0.4	0.9	0.1
18	C20 H18 O8 N2	415.1136	415.11407	-0.042616587	415.1136	40884	39466	41618	46914	34782	25648	25660	17924	29196	129144	77898	20918	126624	19078	23334	36368	39322	60654	50522	79462	98714	115198	34496	44478	29100	54038	22342	47002	9156	10212	11612	8466	19224	0	152934	10818	22676	20554	22861	81044	107996	32002	1628	0	0	69774	84248	0	35342	11474	65644	52350	30308	0	41820	21904	22198	44298	12438	26920	36608	68054	62332	46930	27304	35826	28722	21872	66260	86358	120550	19323	11569	9586	14366	0	0	23320	44778	93898	30356	65112	30360	55668	39828	25560	37814	26204	26444	57648	57512	66596	73892	113624	138644	0	55638	50840	47184	35778	32828	34754	8128	29310	50368	42076	27332	0	38868	41044	Phytochemical	0.4	0.9	0.1
8	C18 H22 O11	415.12347	415.12405	-0.030496418	415.12347	829866	1087500	686695	837520	449385	389123	363269	1109764	789331	721395	809858	842581	1059019	190696	702715	824577	1122857	1139808	965614	1149571	1036908	883213	847670	906265	253846	162672	433556	210366	809812	838788	787867	935990	849986	852387	1107196	724598	997653	683298	1199611	645044	746167	781492	0	0	0	608888	1189229	1209	1004360	941094	975425	839238	574570	0	1075610	708643	449530	834662	701965	758249	819524	768529	1096562	918528	423745	763889	608776	1087152	306486	366236	374726	904159	850076	673857	734041	691403	1161	474802	545433	324936	501473	401640	335819	247833	799394	358348	519730	671129	773545	1078863	231714	622465	1250383	581810	640299	1689	843421	1044266	585009	500431	526984	1210536	663263	1091313	382309	1021170	498618	924	366323	1251582	Phytochemical	0.6111111	1.2222222	0.0
6	C17 H22 O10 N2	415.13474	415.13538	-0.12242147	415.13467	48998	56489	49358	56455	32280	25940	22751	61857	48362	29066	28340	49450	67294	10230	35737	77056	84535	54458	67024	29708	49642	61498	51900	83099	20993	0	25047	7398	45614	42109	52193	49296	63048	44717	43288	54473	64827	36207	73891	26660	55388	47790	0	0	0	30940	39998	0	65567	50452	48054	49305	39935	0	63560	33208	28259	56892	36354	41162	65265	24804	88738	56234	29049	56918	50312	112358	8888	5716	9958	47701	48830	43600	41562	43220	0	34119	35193	16918	28368	16434	19136	6888	44955	22590	39284	55210	49237	101488	12652	41308	86747	32270	21700	0	49466	50446	26238	32384	42278	59622	40164	39120	36196	72802	28816	0	23777	85295	Phytochemical	0.5882353	1.2941177	0.11764706
16	C17 H22 O10 N2	415.13474	415.13538	0.24849893	415.13483	20932	18324	16466	15512	15742	14938	14102	21708	16342	37017	6670	22774	19348	10804	31474	26174	21946	23044	19686	32428	19646	25694	28874	26172	19778	15688	10376	5756	27570	23530	25034	21804	24867	24050	22855	30046	25916	16088	14348	16301	20906	15832	3026	0	0	12300	1633	0	27764	25778	19630	24414	13628	0	26948	9406	12502	19576	22714	13394	0	56370	20682	24272	14498	22330	17648	19168	17764	14113	14769	21506	20488	27594	31648	19306	0	20762	14906	11168	13628	12906	9376	9556	18100	10406	15488	18174	24476	0	14329	17677	0	16628	10350	0	23066	22522	15842	9274	11084	25568	20824	20336	12208	31998	19180	0	13628	34708	Phytochemical	0.5882353	1.2941177	0.11764706
14	C17 H22 O10 N2	415.13474	415.13528	0.012389131	415.13474	584539	554745	477300	543068	388886	331970	345580	559031	451715	804123	604498	414600	535225	223057	461841	478987	411289	540717	555061	760409	836623	632327	539366	543394	309190	795148	310587	397890	481055	425849	436849	502237	573330	408305	933666	452781	518324	428615	444538	641917	664256	353191	0	1558	1342	563247	619635	1742	492991	428387	583848	480516	360283	1294	516786	326099	283475	564383	608464	444101	602985	484362	514337	543246	240428	434026	372799	429098	829224	912392	2140535	437486	207848	468821	348486	422422	1194	396277	437412	291024	405894	452434	328201	420095	400997	313677	393701	388577	407285	557232	437531	491335	777480	404371	450393	4060	538240	560962	345976	329366	319507	617085	420051	505476	397352	508024	330511	960	326914	552981	Phytochemical	0.5882353	1.2941177	0.11764706
8	C17 H22 O10 N2	415.13474	415.13535	-0.0926947	415.13467	253006	313748	210741	234380	133503	116775	111429	335344	238027	207367	243426	248875	324221	54728	219899	255123	341299	328988	275202	355071	312022	243083	261204	282099	79650	49870	132740	61562	243504	265644	232397	277046	249518	256301	332316	224930	313429	213026	358829	199800	222673	232540	0	0	0	188516	345419	403	318356	279139	302173	236334	161690	0	326582	217877	125698	259146	202907	233899	250262	228907	327902	276472	128697	208459	187416	339054	93050	113120	112776	284235	268064	194247	216283	198049	387	143944	161913	97528	139427	113624	102753	75581	239172	107236	157218	195207	227535	329825	61048	194681	394025	174720	190523	563	241043	325458	174363	141553	155214	363216	190373	341967	113717	324294	144576	308	113075	385628	Phytochemical	0.5882353	1.2941177	0.11764706
10	C17 H22 O10 N2	415.13474	415.13528	-0.1010589	415.13467	275060	402261	395424	256062	343484	153641	172350	387180	464064	748476	290924	312144	576176	118050	201178	264540	309639	502084	541984	367023	638792	554877	219682	251751	104152	146412	159687	141632	225209	209071	196988	214702	266155	191081	916031	212590	449386	198041	235086	254526	307869	164540	5584	0	792	230062	292191	0	213517	344046	277871	460425	298763	0	659391	322068	221865	230930	235498	232547	273785	329580	594298	493367	138159	263358	199030	250476	201082	207382	440955	240549	218540	196711	194347	192651	0	162807	227783	175809	193325	171260	144781	110723	241703	160576	213079	163774	181675	210608	145541	203731	416058	404268	296950	2576	267254	451016	208708	208649	188431	285749	182281	238214	185486	235315	190342	0	155174	657923	Phytochemical	0.5882353	1.2941177	0.11764706
12	C17 H22 O10 N2	415.13474	415.1353	-0.02903115	415.1347	72844	79668	74010	85448	53134	56810	57248	115702	74084	63986	48298	77020	96814	19912	87750	82418	94134	109392	119466	68392	80334	132342	111590	100848	54900	12954	43118	0	102812	75130	75542	83286	126066	71768	99994	92282	103508	74844	77346	65978	82550	71944	1624	0	0	71994	66456	0	89702	82858	76388	67620	62428	0	150934	50956	47948	88540	122898	65160	93052	60410	116912	100984	43016	81614	72536	91848	0	18112	22558	86028	74902	87706	55758	62788	0	83798	68810	31890	63260	34356	41860	22716	53712	44820	64736	51824	67166	114010	39746	100680	146810	71134	43600	0	87236	86288	49140	32986	41258	124068	69608	94030	57356	112118	42956	0	39638	128336	Phytochemical	0.5882353	1.2941177	0.11764706
28	C22 H22 O8	415.13873	415.13916	-0.19712661	415.13867	14386	12386	15364	15799	19716	9709	4445	6144	19003	30216	17244	3968	32584	14627	6818	8773	3575	24867	21576	30158	30451	17915	10603	8822	7411	32508	3941	15115	5068	5006	5438	4770	7132	5763	33306	4217	6217	7051	6291	16938	18040	7151	1891	0	0	12948	17538	0	5882	4995	14358	14054	13661	0	22587	17216	7271	6803	4233	4441	8339	11052	24618	14361	9080	23601	9251	4962	36403	57099	60806	5142	4151	2783	2704	4653	0	3745	16014	16876	12631	8108	5269	12588	25317	11232	11509	7784	7541	8117	11049	13137	9640	15528	23976	0	12325	15188	13672	21857	25508	6470	4606	9447	7967	7266	16057	0	7250	24450	Phytochemical	0.36363637	1.0	0.0
26	C22 H22 O8	415.13873	415.1392	-0.14265107	415.13867	24246	28591	23169	25848	38084	22258	4380	9796	35787	66341	28883	10586	64079	18021	12373	17622	7770	40816	47148	53498	60030	40388	17735	22387	13415	59096	6125	27070	9336	9750	8580	9130	11016	8494	78095	8504	16983	9604	10374	35425	34929	10633	0	0	0	35306	38166	0	11292	9759	35016	26387	22757	0	43702	36314	15977	16112	11424	6205	18263	24658	50984	34520	11456	37411	20580	9993	72068	105673	117413	11427	9815	6637	6896	7220	0	7625	27914	25992	22697	21691	9734	27989	47065	18423	22657	16065	15499	10203	18968	18775	21351	35990	58935	0	31304	24460	30275	47621	40889	10680	8397	10040	21651	8417	27230	0	13557	57002	Phytochemical	0.36363637	1.0	0.0
22	C22 H22 O8	415.13873	415.13922	-0.09142764	415.1387	143921	138241	128369	131256	155379	118890	43837	68846	176616	381126	217483	41431	193113	112727	68524	70762	42139	182519	166970	323864	317766	171296	83591	82022	70110	393537	39598	191981	56689	48816	59675	59813	84536	53398	415000	53378	79885	62490	48334	198066	170387	58638	6165	0	1523	169389	158291	0	63203	52004	145123	133363	117928	1501	164135	147433	71896	87450	61981	48120	85710	154014	221946	139241	70923	167057	94938	46075	342341	570576	513458	60855	47955	40386	31054	48686	2002	55439	116518	103042	108681	131135	54636	143150	189903	96256	108309	68995	72730	67322	100932	108011	101716	148017	210926	0	138109	139330	138634	158614	150533	70473	46735	75648	115836	69493	129689	0	63668	242131	Phytochemical	0.36363637	1.0	0.0
12	C22 H22 O8	415.13873	415.1393	-0.07454669	415.1387	87000	84636	81613	87139	42561	30489	62892	73441	47274	135355	117849	45836	45444	26213	49718	77409	62413	43141	57926	153659	125789	109564	54860	74525	43036	291482	58688	87001	51230	63592	57477	69839	62602	48052	164150	51250	52980	49247	67164	107947	140452	32429	1960	0	502	92335	131768	805	72018	65264	85444	95060	38009	420	46693	37344	31186	78068	58171	71770	73670	72607	73493	49159	24694	51558	34503	63116	192117	357556	430010	58502	59556	61784	55869	66187	436	46660	73858	70653	69197	77766	55173	72327	57019	34915	63889	33197	42268	89467	61340	62922	69951	64403	81821	1108	95122	94096	53523	45654	42717	74902	41693	81530	65501	55680	46242	398	57646	50601	Phytochemical	0.36363637	1.0	0.0
14	C21 H22 O7 N2	415.14996	415.1505	-0.09053757	415.14993	59179	69964	50155	54647	37126	35289	33870	39285	38519	112946	75325	29107	41653	32053	32073	46223	44901	42258	43815	106685	114743	112595	40105	60736	35992	114654	26433	70459	37239	32568	33820	34973	52542	34789	108438	29455	52118	30968	53836	111834	122651	28876	0	0	0	73574	83748	0	42080	34822	55801	52105	30924	0	49243	26900	23167	54033	38127	33400	43793	80551	47591	31784	16368	38594	35197	52873	107277	155114	137322	33435	29990	28622	27900	29679	0	28190	50572	71917	37830	46911	37152	71346	39794	27387	51195	37416	32488	82186	61478	60277	83390	74985	104723	0	58028	59217	25044	34800	26154	43808	23951	59395	56952	47463	29244	0	37772	39835	Phytochemical	0.33333334	1.0476191	0.0952381
12	C21 H22 O7 N2	415.14996	415.15057	-0.044107143	415.14996	52840	44246	53072	48601	28357	25115	31900	46737	28390	110744	71313	27541	36709	19099	24890	34418	39393	33187	43509	119422	135366	85344	30642	46653	31492	97302	23687	63033	34234	27815	32540	30842	45658	29029	145211	24295	40580	27306	48670	108225	125634	21444	553	0	0	74356	77146	0	34256	28439	40465	46574	27321	0	44918	26827	19018	47588	32788	42320	35584	81369	46922	28200	16695	37090	27871	41446	110959	170084	172688	31925	22654	20136	22811	26729	0	25620	46049	71470	39646	46328	30727	67653	29908	18533	43616	21222	28694	72726	52020	55185	64218	82108	73424	0	51562	47011	27168	26336	24727	37673	23053	40629	38747	41025	26038	0	33215	49807	Phytochemical	0.33333334	1.0476191	0.0952381
8	C21 H22 O7 N2	415.14996	415.15057	-0.11927868	415.14993	28397	27699	26444	31155	19317	14046	11383	21068	19287	87810	45260	14134	31075	12315	11196	57416	20316	19643	28507	87525	97448	58795	16263	28920	12593	47771	10495	38518	15784	16129	15287	17820	25026	16061	94951	16239	22161	12313	22147	68832	75144	12736	0	0	0	44873	65524	0	24504	20597	31024	25819	14168	0	23535	15921	12013	22146	9536	35146	24177	46149	24942	21149	9085	23057	14238	22778	68740	95444	106694	17256	14573	9689	12665	15879	0	11023	22699	39910	32858	25007	13199	41674	17741	7494	21149	14044	16207	37770	31588	29813	38928	46641	75094	0	30701	31956	17560	21571	18649	19531	11773	35446	24834	20181	13930	0	18017	24644	Phytochemical	0.33333334	1.0476191	0.0952381
6	C21 H22 O7 N2	415.14996	415.15063	-0.11364531	415.14993	12191	19815	15275	12248	10746	8815	6073	10599	12716	43891	22451	7123	14878	6724	7591	13936	8240	13035	16155	36331	51470	26297	8746	13718	7212	30046	6814	17475	9495	8251	10399	8513	12644	8646	46906	8218	11193	7754	11399	26185	40403	6108	0	0	0	21422	31288	0	10056	9491	16758	15901	8811	0	11466	11271	4784	11919	6018	10456	13280	18499	14988	12327	3691	15540	9643	13999	28346	45902	57027	8092	6814	7151	6668	8001	0	5673	10433	19558	5968	12420	8345	16614	10261	7319	12835	6478	7394	19163	9235	18042	23136	27036	32102	0	15874	12473	9395	12944	9439	11496	7017	13781	17858	9059	7656	0	7652	18103	Phytochemical	0.33333334	1.0476191	0.0952381
22	C24 H23 O5 Na1	415.15158	415.15247	0.39866102	415.15176	9774	10356	7916	10187	12597	8695	5370	10290	5389	19887	18003	0	8471	0	6993	3025	6622	0	9807	11039	16339	13733	8443	15283	9322	16690	4370	12765	9724	10647	5227	0	9189	14638	19347	6729	15150	3764	5932	16220	22326	3579	0	0	0	13271	15949	0	1594	5354	10976	12975	9529	0	6131	3797	3748	6214	5267	3071	12060	17723	5319	3665	2893	12676	9491	8771	23455	21363	35193	15451	7318	5482	8281	7439	0	5965	9465	15528	9103	5212	4260	10699	7317	3691	7145	12362	6272	14155	9548	10246	11563	14004	14373	0	8626	9563	5211	6968	5781	8924	5481	6751	8988	13026	5385	0	7937	10098	Phytochemical	0.20833333	0.9583333	0.0
22	C19 H26 O10	415.15988	415.1604	0.09892011	415.1599	14563	10829	15054	11226	5873	12193	4937	19106	12545	22158	8746	10355	17302	0	12760	12070	6461	17717	10085	23799	23337	15479	18441	18915	12968	0	5600	6393	23655	14623	17812	11113	18172	18080	29365	14509	16850	11838	7846	16468	7356	8695	0	0	0	14856	10592	0	19902	15818	14705	13580	8849	357	19936	8118	5764	17667	19280	4996	15780	10734	14731	15722	5840	16816	11160	4336	3698	14809	0	23715	17354	21544	5361	12735	0	14091	12166	4119	13044	9932	10988	5235	7947	5997	11591	3733	8634	8080	13239	15980	15744	7398	9277	0	17535	13806	5799	7389	5486	14347	13094	17333	8141	12537	9518	0	6813	21145	Lipid	0.5263158	1.3684211	0.0
10	C19 H26 O10	415.15988	415.1605	-0.12517634	415.15982	58483	100138	48909	91124	23575	45134	42872	141614	70608	122678	87928	43609	69804	12026	49890	122546	79030	72906	89482	148310	107548	108332	42608	60625	63840	22823	43526	35049	119612	114956	53980	56789	117092	43714	66235	62708	61208	40558	105998	85782	43590	50002	729	0	0	49737	44103	0	60584	116570	48714	52065	25455	0	62375	47340	23585	116036	61502	47289	64284	30160	33609	44213	18647	73290	54092	51593	29068	41110	31044	54005	118098	128042	88770	108888	0	74902	50627	20920	44263	72142	88596	55140	68656	26260	44405	46476	63610	51463	26333	87958	129780	60680	83622	479	99422	109474	31602	30126	31148	53470	71648	137754	36825	98826	61842	0	73704	81422	Lipid	0.5263158	1.3684211	0.0
8	C18 H26 O9 N2	415.1711	415.1717	-0.15642247	415.17105	33358	43195	34873	33973	16868	18190	26239	48759	29562	28459	17471	25133	26766	8926	39984	56850	31814	32991	36678	33049	30854	59980	35932	54685	24681	3387	27889	13862	42460	41325	35380	51577	50871	38078	47810	41958	48692	33947	35896	28294	22266	22547	0	0	0	39192	34165	0	46778	42991	36860	41104	20278	0	42856	17883	17318	40916	45656	21842	47682	23016	36759	31143	16892	31789	23495	38621	4777	8181	6817	44481	38094	37907	24719	33683	0	29430	29669	14080	25954	16300	25912	11499	16467	16611	30014	25464	28409	47351	28143	53846	86937	21039	32049	0	37958	37400	15575	14867	15364	45955	30706	50790	9631	50438	15530	0	23083	42345	Lipid	0.5	1.4444444	0.11111111
14	C18 H26 O9 N2	415.1711	415.17163	-0.09404631	415.17108	26003	32745	25368	30581	16480	23078	26942	49937	21594	20461	6712	18101	28834	11360	42190	32437	17130	45131	44216	33153	21986	45468	36043	39473	43438	0	17087	10846	45097	38128	39393	40286	56145	39092	40445	43252	51672	32301	18690	27102	10079	23112	0	0	0	26737	17530	0	39103	43359	33996	26258	24206	0	47015	10422	16464	41971	65276	12201	32697	19551	27889	29674	10555	22874	26226	21233	0	9785	7634	42853	39516	44393	16811	33189	0	32716	25617	0	15377	16732	25088	9104	10926	19710	26451	16998	27988	28124	42933	65935	70219	11169	26513	0	29306	34501	7982	9553	9549	45886	20562	42541	0	43833	14259	0	24724	32258	Lipid	0.5	1.4444444	0.11111111
10	C18 H26 O9 N2	415.1711	415.17166	-0.1643607	415.17105	51218	45617	42657	49097	19400	26072	35825	61996	30482	39647	14678	31036	36903	11441	55491	56531	32553	42197	42901	46324	35581	66095	44260	61070	39806	0	33882	12334	49421	48961	52540	49219	62045	44471	54682	56447	66512	42792	34653	42513	27058	28796	0	0	0	36689	25643	0	63435	52536	48002	43946	29981	0	53734	18339	20702	67052	62918	23804	67293	24302	34003	33670	14691	31251	29234	38504	0	11657	8181	54324	46262	56337	24462	37082	0	38788	37872	13681	29994	23323	32737	12393	20588	26081	34705	25317	31745	45529	48896	73018	104701	23591	33918	0	43578	51494	17376	15630	15187	57204	37152	58627	14887	54396	21838	0	35705	43323	Lipid	0.5	1.4444444	0.11111111
12	C18 H26 O9 N2	415.1711	415.17163	-0.13238326	415.17105	44457	37694	39647	43174	19612	29877	43226	71885	30941	44719	14360	29219	37240	9305	65570	44922	34038	49820	60429	50207	43154	67604	52956	63368	52899	4685	24300	15595	73001	46127	56851	55034	74757	45760	54149	57973	79361	51780	31719	44989	18125	34137	0	0	0	44576	24750	0	52924	47656	41551	39147	30073	0	63471	20154	21111	58609	88725	17497	45643	30206	37164	30410	14229	33850	37230	30884	0	12968	15004	50315	49802	61113	20188	46714	0	47596	35273	22461	29467	24372	38118	11957	17353	23497	37501	25893	33409	44957	62905	92205	98314	24886	22216	426	51478	53411	21095	10924	14574	70889	39666	52754	0	67329	21617	0	33699	48653	Lipid	0.5	1.4444444	0.11111111
10	C23 H26 O7	415.17514	415.17566	-0.19566159	415.17505	23095	19235	23577	18785	8875	8018	21248	28098	12231	23023	16548	14195	8718	6435	15063	28159	20689	9276	15448	29738	27897	23394	19009	23987	15623	32636	22380	13356	19492	24273	20722	24236	19875	14768	25612	24642	13584	17800	26924	21548	20949	9850	1691	725	901	21348	23712	1256	28712	22537	20854	20373	10128	665	11154	12074	10998	23531	19664	23067	25846	11690	10520	13653	9764	9251	10816	30335	23358	28109	32914	16732	18878	22907	24275	22982	873	15155	29730	15567	22212	19814	22887	17354	14196	9177	24781	8777	10180	29362	12740	14526	22775	13984	24096	1465	22224	26371	10851	14729	10088	20180	14474	19056	0	13751	8659	911	21882	8436	Phytochemical	0.3043478	1.1304348	0.0
24	C23 H26 O7	415.17514	415.17554	-0.100262605	415.17508	183489	186411	165359	177262	198829	144203	61333	127147	203731	423384	257588	80048	278685	116603	107928	128314	73102	236648	257865	413255	421111	200073	134449	150226	95923	531142	62098	242885	102841	97579	97409	106120	130442	104858	448814	111021	161290	85976	83663	273672	217463	88421	9318	2778	0	192360	157263	3890	115672	98446	180493	186446	143276	0	215021	182332	92986	135072	111667	66488	137526	197524	238105	175889	83914	236934	123864	87203	499812	717869	709732	119284	103565	92842	67536	89885	0	87360	171930	105654	128275	129678	78141	194255	206232	118917	153609	94569	112461	107619	145689	151915	178386	147143	221924	4681	181587	170158	134796	186242	188930	126371	76804	140740	131835	121418	136194	3179	93601	247334	Phytochemical	0.3043478	1.1304348	0.0
16	C23 H26 O7	415.17514	415.17563	-0.097119845	415.17508	346465	385352	366074	358782	286022	188267	225808	351009	275087	495605	363999	242996	266858	174498	256185	396551	292171	269763	337424	588148	587831	316862	304304	383275	225934	891995	221352	313208	284055	289746	310182	334432	335305	229598	519690	298753	300849	251965	346479	399536	461168	186823	7659	1673	1696	305293	341880	2184	340747	305680	353638	354938	232451	1794	274699	232034	186296	333565	250414	288556	366904	257241	322797	229321	144827	267494	201342	312663	693847	998493	1128279	274992	296504	307353	282906	314046	1368	216125	392841	246024	298032	257010	291848	350202	335716	183022	352787	191439	200943	427603	298957	292643	455807	243930	316516	4196	355264	339889	246252	272086	275704	314463	207303	331391	171118	299630	250344	2159	280762	290091	Phytochemical	0.3043478	1.1304348	0.0
26	C23 H26 O7	415.17514	415.17557	-0.14029187	415.17508	63036	56397	63117	60009	74698	47336	18379	44015	71041	97977	65527	27991	109493	49346	41571	51898	36488	82800	84246	130194	130130	60485	37650	56286	35141	164400	21229	66228	34533	40491	41367	34525	49216	31865	127304	36622	49589	33155	28084	88408	80579	34753	5451	6141	0	61652	69413	5747	45829	43034	67663	56361	55685	0	68834	77310	39361	52757	32878	27364	54664	47204	90137	56893	28821	72781	54557	31230	184987	202459	242826	43360	33460	26967	27780	33455	0	34516	65420	46386	53287	41037	32939	58083	74456	42766	62704	41600	42066	39672	45144	48494	63778	47976	68799	6779	63283	68329	52839	85707	70314	41730	32260	50366	36198	37220	52453	6554	33925	84286	Phytochemical	0.3043478	1.1304348	0.0
28	C23 H26 O7	415.17514	415.17554	-0.17550153	415.17505	23209	23231	20146	20211	30599	16487	10737	17861	24725	42491	24974	9704	37746	19733	15618	18786	16234	30133	36382	40855	46504	24760	20645	19190	14779	62773	10002	23368	13035	17376	16310	16546	19683	13946	49637	14724	17758	11609	14170	27906	29079	11846	3651	0	0	23711	25846	2137	17820	16475	23120	23312	20905	0	26817	26125	11051	22259	12089	11504	23087	16453	31090	19792	15173	34594	17267	14065	64390	81019	101493	12668	12709	11504	9178	14485	0	9836	25910	18799	18289	12942	12693	22069	34399	13266	23149	15589	14438	15446	17829	21002	24354	21305	29075	2001	23511	24761	19038	36980	37234	17544	10072	20515	13951	13983	19615	1639	11468	30730	Phytochemical	0.3043478	1.1304348	0.0
14	C23 H26 O7	415.17514	415.17566	-0.12949064	415.17508	197424	185719	163825	192269	114334	77228	151044	183100	122412	198605	175225	132581	103894	71202	127227	201297	162718	106593	137499	257274	251575	184034	130045	195184	116126	309762	122168	159113	124731	152257	142603	160136	145157	113849	219911	154451	128360	125987	177406	164586	235474	93993	5001	1214	1217	153248	184827	1574	164447	181833	172535	161817	92191	1085	114787	96116	91646	195078	161930	198298	195154	113841	129388	114496	74535	105260	86129	174923	306551	333668	400000	126180	128899	162213	142878	163497	969	121258	192884	118490	184032	127866	147278	143593	134875	85315	182626	80324	92777	250282	156057	124697	195538	115781	130652	2843	182353	164034	105633	117870	124861	139832	119249	190181	145495	143709	107782	1178	142406	103335	Phytochemical	0.3043478	1.1304348	0.0
12	C23 H26 O7	415.17514	415.1757	-0.13903454	415.17508	75547	84237	74612	73864	25346	27174	66328	69513	40632	72073	67649	48990	26028	20765	50682	86424	67103	33879	46756	99215	70083	68962	52676	89495	40736	94738	70782	56069	59274	63269	54745	69087	63342	53403	70999	56542	59961	52898	76640	65167	95046	34089	1866	830	1153	66915	83552	1272	70567	80698	69766	79004	31207	787	45005	31345	27531	78151	62956	74527	86342	51813	43272	34750	24073	38810	27773	82152	77288	104887	125142	52914	50577	69569	65222	68579	688	48367	66361	43313	64466	54142	57430	46983	48917	27587	60077	25517	32062	98895	60673	56126	67093	49145	70218	1221	87927	73558	45572	37351	40261	69239	42429	81332	45072	53941	41590	615	55331	41270	Phytochemical	0.3043478	1.1304348	0.0
6	C17 H26 O8 N4	415.18234	415.18295	-0.097127095	415.1823	4121	3879	3620	5497	972	2444	3859	6580	2543	1732	0	3139	4307	1276	5203	7342	6004	3134	4486	0	1789	7375	4742	5835	3805	0	2957	3992	5632	3224	2886	5883	4141	3460	1995	5022	5794	4603	6681	0	905	2395	0	0	0	2222	0	0	5929	3898	4862	5180	1687	0	4792	990	1424	6985	1616	1076	6155	0	3024	1741	1778	3014	2139	5855	0	0	0	4133	3231	3892	3047	2280	0	2567	4240	0	2162	1083	1585	0	1439	1536	5876	2942	2465	10280	23115	9087	13109	1732	0	0	4045	3665	908	1423	1467	4698	3983	4631	0	7051	1770	0	4966	3514	Peptide	0.47058824	1.5294118	0.23529412
10	C22 H26 O6 N2	415.18637	415.1869	-0.18368188	415.18628	33249	33362	26705	31983	13858	16759	19856	33233	10031	59262	43486	17199	14093	10936	21057	37532	22310	15890	17382	80185	65276	37885	23268	34773	20839	56204	16049	37756	30164	26987	26483	30669	34734	26476	69072	30235	41540	14478	33081	62211	50911	14538	0	0	0	41634	40225	0	35859	24370	33585	34379	13863	0	16779	10083	9251	34211	5180	16177	29788	31642	11017	11296	6956	13115	17724	32301	44725	77247	67532	31348	20239	19382	22985	25018	0	16981	25315	26184	19420	13845	13645	39195	12309	8965	26157	17175	17140	39585	48407	28665	55202	31612	52850	0	30857	31017	8771	9042	8368	32993	14838	35260	0	29814	7606	0	21788	11509	Phytochemical	0.27272728	1.1818181	0.09090909
8	C22 H26 O6 N2	415.18637	415.18695	-0.18050373	415.18628	20648	23200	18366	20757	8877	12545	11389	20637	8245	51628	25293	13434	13112	8706	13222	23593	16781	9630	14325	60316	58331	34633	20697	26676	15322	33048	12592	30412	19080	17824	17410	21904	23446	19706	52418	20217	27104	10242	20746	44787	36071	13074	0	0	0	31155	25557	0	25678	15800	21507	24702	10931	0	11285	7088	7650	22586	3973	11757	17252	24687	11314	9143	4688	7944	13284	22326	25827	57697	47143	20877	17380	17315	13287	15761	0	13168	20134	22680	13765	11604	8463	29408	7525	6399	15493	13351	12466	32029	26501	18097	35653	29012	44800	0	27498	20525	7732	7398	5724	22318	11861	29759	13943	20054	6900	0	18370	10177	Phytochemical	0.27272728	1.1818181	0.09090909
18	C22 H26 O6 N2	415.18637	415.18686	-0.080222584	415.18634	224756	217806	196899	178905	135315	150322	186454	290670	178959	272363	130702	129417	265010	121803	244342	250505	106165	244795	286553	272960	246148	236101	209703	260120	229965	112649	128324	165436	331760	244943	272690	284825	327741	245540	314438	275415	344433	175057	132061	186429	124198	150732	4180	0	956	169783	81431	0	273272	208033	184484	212779	154693	1228	350476	160129	103439	281763	235508	91011	279676	133605	214199	204859	124078	204732	191591	119043	70176	156677	156082	254194	229712	308879	146735	268146	574	185706	177945	105103	161586	90717	192347	140041	120566	131695	160863	137916	176585	130309	281796	311943	354654	110848	160409	1380	221555	237844	112274	119356	124661	293908	144401	240429	93929	230895	118472	0	157824	216490	Phytochemical	0.27272728	1.1818181	0.09090909
14	C22 H26 O6 N2	415.18637	415.18686	-0.18804395	415.18628	42245	35356	41668	41690	15496	19421	26519	31480	17406	51521	46650	27067	15155	14610	25562	41563	41552	15110	27587	78278	78864	48982	30284	49178	37208	60810	25493	48040	35034	34351	32205	40265	46617	33542	69287	29441	40173	29315	38341	65456	69795	22548	0	0	0	52166	51099	0	42302	37343	34712	38273	23051	0	18368	10637	16575	42896	21411	28677	29754	39898	15921	12557	12177	19231	20123	43205	53492	90739	77585	38657	32757	29183	32061	36776	0	25183	28677	36681	27310	26670	25562	51528	11768	12379	40969	28672	29029	63893	54696	33273	74365	42136	60199	0	43792	33350	9102	15246	15775	46892	23486	50774	20004	47444	12588	0	31982	15336	Phytochemical	0.27272728	1.1818181	0.09090909
12	C22 H26 O6 N2	415.18637	415.18692	-0.15176472	415.1863	32194	29934	32490	29605	17973	15616	22104	34816	12325	63965	45455	19867	15455	12240	25738	34394	43821	15529	26766	78035	83528	50158	28416	40977	27886	60699	20750	37684	38402	28251	34377	30565	51528	30053	79025	31494	35992	17305	37427	71405	61510	20353	0	0	0	46911	54233	0	42169	30811	35126	35946	17328	0	16738	11154	12668	34641	13838	19654	20914	44002	11161	11699	11591	19542	23178	49289	40922	87007	85851	31725	24638	25496	26425	30494	0	24023	27547	32325	24868	18770	15233	46012	11434	11519	29594	21348	19893	64821	40139	33470	51041	43857	51678	0	37519	40553	10868	11539	9285	44504	19160	37380	0	42498	12175	0	27941	14618	Phytochemical	0.27272728	1.1818181	0.09090909
6	C22 H26 O6 N2	415.18637	415.18698	-0.16101867	415.1863	14280	15700	11381	16122	5631	7138	7832	17672	7115	29463	15213	8502	8702	6941	9915	11263	9727	7004	12338	36095	34369	20701	11715	19764	10914	23516	6070	17076	13608	10978	10819	13824	17806	12486	35182	13294	16739	9070	14437	23686	22015	7728	0	0	0	19364	19351	0	14668	12035	15645	15872	6506	0	6694	5553	3898	14854	2429	6767	16789	12373	5287	5219	2011	9283	9425	15835	17202	37645	31565	11801	10710	11899	8991	10074	0	7311	9134	14304	8072	5462	4662	14372	5311	3843	13031	8895	7402	19560	12754	13867	23792	14687	29934	0	12684	13835	4577	5265	6117	16239	7394	15993	0	13869	4018	0	9766	5315	Phytochemical	0.27272728	1.1818181	0.09090909
22	C21 H31 O3 N2 S1 Na1	415.20258	415.20294	-0.26565552	415.20248	4583	4876	3606	3983	3605	0	2217	1870	1323	4942	4575	1700	2006	0	1555	4129	2130	0	3271	9399	7938	2183	2766	3260	1278	17135	2232	4560	3089	4612	3673	0	3479	1935	5554	2428	2689	2955	2350	5442	7703	1511	0	0	0	4007	3824	0	3811	3344	3618	4018	2353	0	2617	1740	1511	2700	2354	2058	3820	3376	4030	1250	2018	1399	4120	4268	12548	18068	20300	2885	2522	2066	1246	1564	0	1949	3441	1993	3563	3542	2756	3202	3083	2632	4993	1876	1303	0	2160	0	4087	4565	3027	0	3983	3189	1966	2601	1753	2752	0	3838	1826	3844	1688	0	1483	4363	Organosulfur	0.14285715	1.4761904	0.0952381
12	C19 H30 O8 N2	415.2075	415.208	-0.09625778	415.20746	5129	5644	6002	5859	2119	4136	8403	10206	2628	2906	0	4087	3882	1733	9371	10243	5972	4001	7500	6775	5035	5865	6569	9497	9683	1617	2428	0	13598	4997	8370	7098	13520	8904	6995	7706	11243	4791	6488	4073	0	4675	0	0	0	6334	4969	0	8218	8348	6093	4706	4111	0	4672	1203	3355	14242	9304	0	0	0	2864	2988	2581	4706	4550	7249	0	0	0	9334	7095	9968	4503	7078	0	8461	5535	0	7571	2635	6164	2292	1718	3416	6914	4147	3864	14120	10730	22765	14125	0	3912	0	6021	8365	0	2377	2237	12677	6264	9023	0	9009	2235	0	7619	3548	Lipid	0.42105263	1.5789474	0.10526316
8	C19 H30 O8 N2	415.2075	415.20807	-0.09944404	415.20746	7563	9980	8304	10234	3143	5268	7094	12068	4200	5759	2997	3664	8101	1558	7467	14657	7735	7347	7519	8402	6018	15685	7996	13491	11897	595	4064	4367	10877	9020	9667	14103	13448	9493	10028	10423	14185	6664	7121	5162	2149	5038	0	0	0	5786	0	0	13952	8163	6761	7849	4819	0	7884	1357	3148	16295	7478	2133	12007	2474	5596	5228	1944	8121	5572	8019	0	0	0	10214	9471	8194	5010	8204	0	6774	6093	0	5672	2431	5894	1748	2988	0	8248	4020	5172	16617	0	20279	31259	0	4225	0	9321	7303	2421	3604	1926	11733	5873	7251	0	10112	3725	0	9413	9894	Lipid	0.42105263	1.5789474	0.10526316
20	C24 H30 O6	415.21152	415.21198	-0.09135448	415.2115	775887	808785	727365	650138	734090	455327	467986	688647	646666	981700	788626	477448	630227	519945	589992	839075	722455	600359	857002	1227587	1285162	635703	541600	748897	497943	2042904	487183	731004	629962	616172	532098	643204	743012	565749	1021768	637789	739156	481932	758689	802551	910276	485882	16672	4348	1626	539589	586346	5445	672957	566127	730393	743464	568226	3996	648518	628209	434622	767215	492611	546651	665634	531908	639190	578409	361441	596317	470482	823916	1613180	2080710	2645406	522948	558698	589155	724399	614990	1317	472885	798185	470252	607257	352847	531929	633010	783191	478515	801347	502206	534138	789047	696669	672298	848164	470129	591747	6225	724584	761393	543520	662963	685189	770803	457511	786760	380505	630491	602297	4526	556648	683818	Phytochemical	0.25	1.25	0.0
18	C24 H30 O6	415.21152	415.21198	-0.13720168	415.21146	411826	418582	359071	356384	343566	208398	321786	384686	285740	413515	348669	274433	307167	211209	319191	471168	474722	287320	434804	525738	538225	320994	341132	413004	275311	816683	318213	329516	329702	348600	314867	382307	392675	304116	402486	361921	354497	305245	526237	350668	439553	239116	8373	1941	962	275503	293134	2430	400254	343788	391465	381200	284033	2303	336845	309146	233702	421998	258679	318617	375282	236174	331583	267734	190866	300612	255434	541465	644271	767007	1061411	244479	242803	351822	429722	390680	641	222816	495447	252152	377701	239298	280744	274136	395174	251547	467408	234198	259918	512422	363734	343756	482039	233423	320547	3090	402240	384124	274066	362755	366840	401098	250200	384320	174333	319679	264976	1730	333371	293820	Phytochemical	0.25	1.25	0.0
14	C24 H30 O6	415.21152	415.212	-0.19487372	415.21143	67594	65829	54529	61413	31942	25141	66877	58206	39509	45183	47030	53172	21349	20880	54868	81175	97657	23821	38349	52411	57639	45219	45334	74104	48901	65183	67615	34714	46497	60448	54008	74973	55345	32794	49450	62216	48796	52381	96256	39398	62085	38928	0	761	452	43552	51957	772	69300	68089	59877	55860	34282	702	36231	37632	35545	75372	43949	70413	65306	29427	32786	35464	27932	28376	36563	94894	47664	57795	86726	33093	41920	53562	78089	64813	653	40519	74221	30842	71120	37444	57942	35767	57206	34869	82531	27923	36395	132664	54429	50534	72976	33163	38263	1198	59505	48402	34926	51206	51456	60171	47274	77910	26119	50014	35037	790	71379	33054	Phytochemical	0.25	1.25	0.0
22	C24 H30 O6	415.21152	415.21194	-0.08270329	415.2115	954125	983108	828815	914563	925447	584959	462004	802007	769412	1422890	1165702	495579	761847	780416	662758	862553	649417	872152	990190	1810696	1868575	857473	712766	860648	659789	2761084	472337	1082659	762880	705908	721288	776683	898094	706972	1520512	773283	927208	589189	693007	1163998	1117153	543974	49518	6144	2366	732574	744922	4038	770034	707859	920303	905667	708742	4750	842734	743479	500831	840954	592283	535291	817669	793573	828404	690876	380262	805437	587932	745591	2180300	3190940	3181874	690009	619130	626039	564991	751264	78393	569460	871531	587787	685787	528192	564176	810901	868817	562454	835876	594766	682874	783065	878089	922115	982426	687780	926017	7117	829724	909700	607655	789614	707652	985976	513755	899528	501570	749154	699961	6408	600272	923092	Phytochemical	0.25	1.25	0.0
16	C24 H30 O6	415.21152	415.21198	-0.18033041	415.21143	152786	175912	154607	147761	120747	71579	140940	158633	117950	131522	125384	124831	103871	67832	132812	194235	223285	99043	163908	170983	170085	128016	139054	172216	131571	228850	147881	94819	136424	149436	135741	162838	163677	96925	156054	163773	146750	120268	258947	114716	162433	94403	3244	1317	1284	118880	137395	1196	171713	154155	153948	162344	111093	1145	131536	111796	86789	183059	109317	155869	171468	90033	124144	99580	76549	105803	102550	237507	203790	225655	325945	112133	112813	162111	214383	151252	893	114531	211659	123962	158031	105719	138237	101775	164092	95619	220083	90482	102489	320322	136766	140304	199607	86094	114827	1720	154267	147306	100776	154010	160965	162248	110531	160187	71766	160807	124162	905	168611	114207	Phytochemical	0.25	1.25	0.0
12	C24 H30 O6	415.21152	415.21207	-0.13882698	415.21146	21316	23379	22388	21687	7940	6403	21083	20812	7873	10179	9228	15353	5331	5723	15054	26523	29356	7458	8901	12172	17525	22682	15135	27550	20379	10226	35721	0	15208	25800	14683	21113	15126	10415	14934	19380	14008	13737	28356	9215	24400	9756	873	438	466	10889	22924	943	20832	24113	26354	25844	8120	501	13583	7403	9325	17018	13377	24039	27259	3739	6569	8471	5504	6048	6933	35256	0	17190	18010	11630	16493	23454	32655	16223	480	12850	18902	0	19570	12986	19866	8108	11700	7334	25374	6746	7794	36801	23309	19837	24134	8694	14197	903	23008	21391	10291	10022	14232	24127	13646	27893	0	13382	8943	581	16404	5969	Phytochemical	0.25	1.25	0.0
28	C24 H30 O6	415.21152	415.2119	-0.20193149	415.21143	34101	33051	29678	32454	40720	19662	19606	32194	28141	37943	36093	17477	46386	27417	20561	31633	25453	32674	41026	54636	49071	30428	28354	34339	19853	84074	21043	37886	29366	28188	26609	24179	36675	25524	54003	37154	36825	17111	28761	34190	39762	26865	5881	2699	3124	24749	25829	2529	29338	28487	34969	30014	28922	0	36985	33854	16997	32939	21175	16391	31064	23075	35725	27681	18191	44782	28819	34140	76714	88548	114413	21659	19379	23108	21229	27037	14826	18023	36202	23260	23692	17676	21548	24151	38786	20040	40019	20508	23170	36349	27346	32929	38407	24773	26927	1723	33866	29831	20519	43130	52858	35791	19371	33415	19379	29042	25230	3096	20447	33778	Phytochemical	0.25	1.25	0.0
10	C17 H34 O11	415.21738	415.2185	-0.079173684	415.21735	3014	3047	0	0	0	0	0	0	0	2471	7369	0	0	0	1144	0	0	0	0	0	0	1293	947	0	1750	0	0	19137	1571	0	1163	0	0	0	0	0	1259	1354	1156	2806	3115	0	763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13392	0	0	5163	1626	0	0	0	0	0	0	0	0	0	0	0	0	1063	0	0	0	21490	0	0	962	0	0	541	1004	0	0	2262	67027	24838	3829	2637	0	0	0	0	0	0	0	1837	0	0	251851	1862	0	0	859	0	Unclassified	0.64705884	2.0	0.0
2	C18 H30 O7 N4	415.21872	415.21948	-0.09701841	415.2187	8903	10790	8423	8082	2144	17651	3378	4851	2622	1357	12574	1982	3315	1813	3734	1472	3245	5017	3933	0	933	4352	2452	4127	3009	0	0	77267	5289	2708	4048	4365	7734	3444	1656	3735	6854	2727	4228	400	0	4231	0	0	0	0	605	0	4799	3230	9657	10584	1939	0	3546	1113	801	5884	659	390	2119	0	2874	2132	0	5290	3044	5321	0	0	0	3752	4795	3249	0	3011	0	3020	2328	701632	2734	0	0	0	1283	1638	4138	3984	2571	10037	309051	163208	8754	55353	1104	0	9078	10441	2161	857	1374	4491	3369	1608	508	5770	1561	0	3462	3708	Peptide	0.3888889	1.6666666	0.22222222
6	C18 H30 O7 N4	415.21872	415.21936	-0.07579328	415.2187	18017	18958	19113	19516	927	4352	1791	2668	1524	3736	18246	879	1985	652	2724	4107	0	1442	1338	0	0	4225	2046	5187	3711	0	1064	94674	4324	2655	1482	3638	3076	3250	2311	2129	4742	1622	2763	0	0	1016	0	0	0	0	0	0	2681	1375	20622	20883	1260	0	1966	0	438	7318	0	690	3974	0	850	1022	865	1438	1355	1595	0	0	0	3013	2126	1958	1597	1676	0	2034	2224	424889	1481	0	485	0	1413	1112	1910	1308	1483	3747	1630635	615656	7302	71307	17561	0	19857	18625	0	0	1690	1972	1421	0	0	3962	615	0	2055	2180	Peptide	0.3888889	1.6666666	0.22222222
8	C18 H30 O7 N4	415.21872	415.21936	-0.034421228	415.21872	5140	5761	4542	3777	0	3184	1332	2123	1389	2155	6515	1120	7207	0	1572	3738	985	1076	987	0	0	2113	2034	3810	3459	0	1264	41478	1934	1504	2168	911	2701	1893	0	1452	2854	2103	1844	0	0	1458	0	0	0	0	0	0	3005	1984	3635	3930	0	0	883	570	0	2974	0	0	0	0	912	0	0	5442	719	2628	0	0	0	1094	1968	1715	1094	760	0	631	2432	70169	1001	0	605	0	856	0	1696	0	0	2761	361429	157672	5470	16299	3078	0	3831	4656	0	0	0	2457	1545	0	0	2123	0	0	1546	1961	Peptide	0.3888889	1.6666666	0.22222222
4	C18 H30 O7 N4	415.21872	415.21948	-0.008844608	415.21872	11511	14572	12473	10296	935	10229	1922	3688	1692	2296	11816	1839	2490	988	2530	4317	3218	2210	2259	0	1066	4314	2012	3628	2382	0	2059	49399	2778	1452	2487	2543	4142	2975	807	2627	3486	2449	4449	0	1674	1279	0	0	0	1981	2369	0	3229	2378	11551	9270	1058	0	1612	0	893	3610	696	1545	4832	1858	1092	1156	0	1412	1011	3601	0	0	0	2172	3163	3418	2648	1754	0	1464	2987	723084	2053	849	1299	504	1567	1529	3679	948	1310	2913	889297	296595	4623	58308	11365	0	9564	13024	1169	769	725	3041	1566	1769	0	2161	875	0	2075	2066	Peptide	0.3888889	1.6666666	0.22222222
12	C23 H30 O5 N2	415.22275	415.22327	-0.11955069	415.2227	3824	5086	6219	4830	0	3445	4313	8882	0	9469	7105	4255	1132	1239	4030	8955	7956	0	3565	21136	14634	6574	4117	8607	7940	13150	2938	8854	7212	8603	8311	7566	12586	5761	10064	6964	8723	3942	7090	12801	6366	4009	0	0	0	8586	4556	0	7998	8292	7392	6923	1677	0	0	0	1077	10591	0	0	19120	1897	0	0	1774	2119	4468	11927	0	17443	14070	7661	7734	6887	7422	6421	0	6779	5750	0	5440	1063	979	8426	0	0	5517	4276	2977	13205	14674	2863	18263	4921	10609	0	6821	7733	0	0	0	8273	5723	5315	0	10548	797	0	5286	0	Phytochemical	0.2173913	1.3043479	0.08695652
18	C21 H34 O8	415.23264	415.23303	-0.2411515	415.23254	7005	6878	7422	5115	3308	6139	24193	10683	2211	0	1622	7409	4595	4264	6268	11347	7005	4898	5685	5175	2211	2444	4354	8314	6351	2554	12993	4198	16929	11901	9760	13690	8529	7097	4928	15177	9690	7501	10993	0	0	6900	947	0	0	1820	2107	0	11492	6932	10360	5755	3223	0	3899	3259	1888	10990	3778	0	11603	0	4438	4571	10847	8436	6177	5393	0	4830	5121	5917	7635	15744	10564	7431	0	7261	7241	2902	4561	2325	28415	13823	5108	8720	8309	4834	5916	9025	4008	8939	4101	1748	4082	0	7620	5200	1571	6914	7371	16350	5624	3068	2968	5686	3318	0	5210	3687	Lipid	0.3809524	1.6190476	0.0
20	C21 H34 O8	415.23264	415.23306	-0.20794287	415.23254	9206	5453	9055	11160	11744	4921	30807	9906	10111	5217	2982	7031	7993	6234	15068	12395	4727	13124	13588	6397	2052	4555	7010	9725	9713	0	16897	5521	23863	14529	11523	22043	17648	14451	3344	19015	20243	11074	6750	0	0	8183	0	0	0	3615	0	0	18896	10128	12657	9413	7896	339	14515	5482	6873	15172	10075	0	14174	2490	8807	11283	6612	11427	12646	8310	0	2747	0	13417	19102	21135	9846	16172	0	9433	6164	6606	7639	2343	36774	17537	6242	9338	7712	4993	7944	5628	19465	10437	12207	3011	3276	0	7018	11826	5479	6293	9174	18636	9382	10450	6202	10627	8925	0	7230	11589	Lipid	0.3809524	1.6190476	0.0
26	C21 H34 O8	415.23264	415.23282	-0.21123055	415.23254	0	0	0	0	0	0	2098	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23249	0	0	0	0	0	0	0	0	2254	0	2648	0	0	0	0	0	0	0	0	0	2736	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3040	0	1912	0	3545	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3809524	1.6190476	0.0
12	C22 H30 O4 N4	415.23398	415.2344	-0.34452254	415.23383	0	1880	0	0	0	0	0	1290	0	0	0	1240	0	738	0	3084	0	0	0	0	3698	0	0	0	0	0	1770	0	2077	3475	2337	0	2137	1841	0	1891	2791	0	2473	0	0	0	0	0	0	0	0	0	4273	0	0	0	0	0	0	0	0	2414	0	0	0	0	0	0	936	0	0	0	0	0	4923	0	2790	2905	1126	2698	0	0	0	54341	0	0	791	2792	0	0	1785	0	0	0	23519	7590	2366	3883	1892	0	0	0	0	0	1057	0	1293	0	0	0	0	0	0	0	Peptide	0.18181819	1.3636364	0.18181819
24	C22 H35 O2 N2 S1 Na1	415.23898	415.23932	-0.2570047	415.23886	4047	3924	2135	3991	4513	1871	2749	5391	1365	6972	6368	1325	2402	2737	3544	4806	3238	5597	3974	5200	6961	3761	2633	4726	2090	18633	1619	5639	3847	2564	2902	4163	7791	2829	5083	4046	4129	2151	5040	4945	5871	2370	0	0	0	2872	1725	0	5081	3696	4758	4235	2428	0	3807	3916	3096	4889	3585	3013	3996	2987	3260	2352	1669	2280	2163	5548	19500	14243	21101	2445	2291	3922	2670	5220	0	2553	2274	4015	2786	2321	2951	3759	4538	0	5063	1240	1907	3554	4042	2095	4299	3035	3579	0	3380	3443	1989	2540	3211	5278	2555	4684	1698	3507	3848	0	2296	4096	Organosulfur	0.09090909	1.5909091	0.09090909
18	C24 H34 O2 N2 S1	415.24136	415.24164	-0.52846295	415.24115	2470	2626	0	3326	6292	3408	0	0	0	0	0	0	1512	50768	0	0	1651	0	0	0	0	0	0	0	0	0	1446	0	0	0	1628	0	0	0	0	0	0	0	0	0	0	5002	5916	5652	1680	0	0	5908	2692	0	2856	0	0	1971	0	0	5808	0	15496	52652	0	0	0	1941	2218	5555	19894	1908	0	0	0	0	1734	0	0	0	2454	1378	0	0	0	0	0	0	0	1211	0	2599	3504	0	0	0	0	0	0	5477	2211	0	0	0	0	0	2192	99948	19031	0	1403	5800	1491	0	Organosulfur	0.083333336	1.4166666	0.083333336
12	C20 H34 O7 N2	415.24387	415.24442	-0.02248024	415.24387	3068	3257	2586	3443	0	3396	8613	30250	0	3841	0	13179	0	0	24649	8517	0	0	3816	2077	1411	0	26193	13415	27998	0	1789	0	19805	5573	15550	7817	12967	10328	5807	6871	4379	14181	1631	0	0	7113	597	0	0	3562	0	0	9703	11881	4361	2725	2578	0	0	0	1854	13774	0	0	0	0	0	1618	0	2052	8218	0	0	1200	0	9085	10094	6796	0	4657	0	33860	2194	0	5296	0	1363	0	0	2240	2815	1056	7864	0	10633	2847	8464	0	0	0	2596	3706	0	0	0	3621	18473	3479	0	7832	0	0	3699	0	Lipid	0.35	1.7	0.1
22	C25 H34 O5	415.2479	415.24832	-0.16370662	415.24783	410606	413758	353255	372370	407875	238765	362999	354004	348440	414883	434154	265084	251735	261945	330696	499864	577107	333273	458761	479658	503615	289523	300626	377914	346241	889687	388609	405593	387637	379136	324582	413991	432675	302951	432167	431476	409954	319538	623799	314045	413813	268073	11561	0	502	234006	285804	0	384292	352973	402093	357800	330950	2171	390061	376954	256861	440353	220080	301862	404564	219093	319639	286291	240959	318352	296870	683066	646077	764931	1005420	240157	285155	342190	484193	373903	632	250755	481070	270290	351394	201885	276568	278621	495958	329141	511749	284176	337816	826108	365660	369354	427631	253463	311754	0	357090	394252	301811	468557	416884	554145	264964	392817	203223	348591	413601	0	375920	305169	Lipid	0.2	1.36	0.0
24	C25 H34 O5	415.2479	415.2483	-0.12967128	415.24783	616573	620996	551685	576593	634745	349196	420087	520352	524114	702394	808212	335701	544411	386869	434562	692077	666423	530037	876535	935469	884320	448394	395917	513237	430213	1676631	444860	764824	562369	541167	458991	601758	697606	462512	812454	652509	663388	380436	734497	638994	702468	353838	13733	2493	0	402065	432764	4029	593955	461926	599249	580726	491803	0	622097	590849	331259	639852	375400	353314	589523	405739	496244	454099	279192	523090	454077	746774	1201371	1332180	1656218	387016	457110	517974	504722	539804	0	360482	625173	413547	439867	325965	422729	512059	646381	416749	676281	387396	510268	757393	531998	529788	640146	402333	508614	3705	577244	633536	409925	669376	693748	816451	309647	647112	309240	513739	542994	2911	478069	493636	Lipid	0.2	1.36	0.0
28	C25 H34 O5	415.2479	415.24832	-0.19078813	415.24783	57396	50749	48724	47283	83978	24560	38774	49670	48889	46510	59444	20532	55469	36441	32886	56596	47289	102992	76340	60162	62413	53673	35716	50267	50068	120090	39261	70861	63088	56067	45338	129529	65971	39998	63046	62722	55209	35323	45148	47845	47583	38511	5083	2290	3518	40098	32944	2802	48572	46805	50914	47441	40774	4096	55968	62153	27230	58712	43517	26264	57205	33298	44228	42233	29608	56906	51357	49364	102776	86226	104714	30630	38229	49367	28875	41353	0	27253	71407	171629	34692	29687	42330	46811	64078	35127	82826	32766	34361	77095	50424	64866	67775	70477	40706	2325	53771	49544	37553	88146	90204	71833	27126	57331	40742	52278	47712	2354	41302	38342	Lipid	0.2	1.36	0.0
16	C25 H34 O5	415.2479	415.24835	-0.16315451	415.24783	15877	14941	10969	12790	8146	5032	23124	15435	9201	8605	9005	10970	4215	5865	14510	19071	34796	4703	8801	8026	8221	7321	11901	12225	11905	8426	23753	4512	13930	22901	12323	19275	12272	5425	5858	17198	16282	13621	48969	3276	9767	6900	0	0	0	4489	6550	534	16888	12740	13664	14261	7193	0	10347	15170	8453	18358	11614	16046	14702	2562	8552	6652	9109	3944	9059	32608	4835	8890	10641	5395	9633	19692	32727	16662	0	9238	24400	9544	16301	4021	12445	5821	17057	9025	25744	3796	7645	43275	6773	6854	0	7343	5952	0	14719	10541	12384	21244	20576	18089	7361	13199	0	0	11337	0	16546	4369	Lipid	0.2	1.36	0.0
26	C25 H34 O5	415.2479	415.24835	-0.12001392	415.24786	345385	345062	344835	320880	367072	175522	212455	341627	302910	355367	490944	188169	306169	247353	262163	383022	323849	347921	528985	619614	558578	322831	231555	328380	314433	1008472	220346	527659	381906	360949	311790	456553	446928	275442	523565	433515	417745	241927	328498	430500	396133	225245	11379	0	0	275384	230295	0	354771	317701	358781	335483	287699	0	397511	355551	207005	387086	275561	203751	363516	283755	289710	263659	185498	301717	313275	396806	803678	803080	822925	246853	282388	358615	235330	324418	0	215999	514529	311458	240782	215666	296014	330584	371747	256471	489800	227013	263370	482821	320180	362956	428702	292314	330547	0	362694	378505	230514	408352	435619	510650	186398	414805	237654	282112	310969	0	302238	265702	Lipid	0.2	1.36	0.0
20	C25 H34 O5	415.2479	415.24832	-0.17589681	415.24783	171165	178374	157575	148263	145300	91760	179773	171354	131163	135637	136786	132539	108921	129301	153554	228408	322737	117753	201851	165266	168523	107170	113875	139376	132100	244463	187467	133171	159937	167793	121585	181114	179740	114696	147793	183423	158262	142067	314111	103169	163342	116706	4351	0	0	88761	124854	946	171492	155833	154072	155462	133666	1010	150553	165636	114794	188899	108429	156540	158704	72879	122460	122098	101806	122648	112445	332889	187399	217598	312354	94443	128686	172117	297926	168681	0	115278	206880	118457	147372	73407	131913	117659	216533	145162	237950	108044	126875	288406	170907	140439	196117	95604	114684	1174	166224	159428	125056	199180	229472	217043	116975	148051	82369	143455	168775	1129	174036	121935	Lipid	0.2	1.36	0.0
18	C25 H34 O5	415.2479	415.24832	-0.22735652	415.2478	59823	46134	53945	48494	36742	18090	66544	53755	37152	37665	38793	43733	30432	32153	54295	77790	118603	32494	55836	35528	37455	35979	47948	48978	44190	46859	75384	34326	63723	58273	57682	68227	50372	38815	27437	63065	50824	53861	136913	24172	45156	26524	1146	0	0	28884	36886	0	60416	53905	55459	63735	35739	382	54772	49984	44203	69903	40795	48112	52159	22054	37415	37833	39165	25582	35296	137597	31149	51758	71660	25587	35713	59812	114162	59677	0	33839	75941	32828	56759	23659	41911	27672	71793	48997	86590	29168	37652	119162	42244	48525	52016	25503	25913	667	56439	49603	47669	66368	81560	71703	34947	38322	16959	45200	49929	357	58369	27006	Lipid	0.2	1.36	0.0
12	C22 H38 O5 S1	415.25128	415.25122	-0.43804774	415.2511	0	13818	22761	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16094	0	0	0	0	0	0	0	0	1212	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2192	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1641	0	19035	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.22727273	1.7272727	0.0
16	C18 H38 O10	415.25378	415.25436	-0.12744255	415.25372	3471	3400	0	0	0	0	3929	0	0	2705	6241	1025	0	0	0	0	2984	0	0	0	0	0	0	1637	0	0	2962	31074	0	0	0	0	0	1221	0	0	0	2080	0	0	7135	0	3311	1941	1152	1140	4208	2243	0	1720	0	4465	0	1638	0	0	2146	3242	27776	30173	70909	4458	0	0	0	0	1751	0	36244	1708	1525	0	0	0	0	0	1497	0	0	38738	0	0	6741	0	0	1131	0	1413	0	0	4592	0	0	5558	0	1304	2006	0	0	0	0	0	1134	8164	14493	0	0	2089	0	0	Lipid	0.5555556	2.1111112	0.0
14	C18 H38 O10	415.25378	415.25427	-0.10073181	415.25372	11560	13900	9619	9763	0	0	26653	2666	0	8407	26805	5117	0	0	1244	0	9427	0	0	0	0	31280	2107	8401	0	0	12165	101285	0	0	0	0	0	0	0	0	0	5861	3370	3606	38533	1115	3996	950	900	0	26240	903	0	7982	11436	17951	0	1425	0	0	1077	10956	39127	117621	207502	9746	0	0	0	0	0	0	215094	0	0	3690	0	0	0	0	1275	1093	0	163790	0	0	0	0	0	0	0	1514	0	29228	0	5945	0	21341	0	933	17663	7127	2231	0	0	9956	2404	14488	29450	0	0	890	0	0	Lipid	0.5555556	2.1111112	0.0
4	C19 H34 O6 N4	415.2551	415.25586	0.104774594	415.25516	2151	2392	969	1729	359	3085	0	0	0	0	0	0	1542	826	304	0	0	463	433	0	0	0	372	643	697	0	0	7153	0	0	0	0	519	0	0	0	510	0	757	0	0	0	0	0	0	0	0	0	0	0	1938	1497	425	0	497	371	0	0	0	0	0	0	354	0	0	311	0	0	0	0	0	0	0	0	0	316	0	476	0	182035	0	0	0	0	319	0	556	0	0	849	124831	32484	1146	6890	0	0	758	1965	529	0	661	0	0	0	0	447	258	0	299	594	Peptide	0.31578946	1.7894737	0.21052632
2	C19 H34 O6 N4	415.2551	415.2556	-0.028813373	415.2551	0	709	0	0	0	0	0	0	0	0	0	0	0	429	0	325	0	523	0	0	0	0	363	0	363	0	0	7153	0	0	0	601	531	0	0	0	0	298	583	0	0	0	0	0	0	0	0	0	0	0	633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	785	0	0	0	0	0	0	263	0	0	0	0	82849	318	0	0	0	0	0	588	0	0	0	14354	4287	0	5140	0	0	1095	0	0	0	0	0	0	232	0	0	0	0	555	0	Peptide	0.31578946	1.7894737	0.21052632
8	C19 H34 O6 N4	415.2551	415.25565	-0.1006354	415.25507	2159	2717	1926	2769	0	2921	727	0	0	1012	1037	0	0	0	0	2098	0	0	0	0	0	0	829	912	1558	0	0	13561	1201	0	0	0	1194	0	0	0	0	625	889	0	0	0	0	0	0	0	0	0	956	1303	1173	3339	0	0	0	0	0	1752	0	0	0	0	0	0	0	997	0	0	0	0	0	0	776	0	0	0	0	0	0	160709	826	0	0	0	0	0	936	754	0	1692	217938	61696	1769	16898	0	0	3751	2731	0	0	0	998	0	0	0	0	0	0	1041	0	Peptide	0.31578946	1.7894737	0.21052632
6	C19 H34 O6 N4	415.2551	415.25577	-0.097509615	415.25507	5375	5055	5646	5053	0	3804	0	805	0	0	1887	0	1367	0	0	900	0	1617	0	0	0	0	0	1471	482	0	0	27419	0	0	0	1037	1385	663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4151	4251	0	0	0	0	0	997	0	0	0	0	0	0	0	787	584	0	0	0	0	1277	0	0	0	0	0	0	689	269977	0	0	0	0	0	0	0	0	0	1669	393728	121644	1345	20901	1732	0	5938	5158	0	0	0	0	0	0	0	999	0	0	684	0	Peptide	0.31578946	1.7894737	0.21052632
10	C24 H34 O4 N2	415.25912	415.25952	-0.070209004	415.2591	0	0	1248	1015	0	0	8985	3531	0	0	2092	34247	0	0	989	2308	0	0	0	0	0	0	0	0	1159	0	12942	0	0	2037	9334	0	0	1121	0	1776	0	2111	0	0	0	0	0	0	0	0	0	0	0	0	0	1027	0	0	0	0	0	1383	0	0	0	0	0	0	0	0	0	0	0	0	0	1090	0	1191	1609	3004	0	27561	0	0	0	0	0	0	0	0	0	0	839	2406	0	0	0	0	0	0	1583	0	0	0	0	2100	27855	0	0	0	0	0	800	0	Lipid	0.16666667	1.4166666	0.083333336
6	C24 H34 O4 N2	415.25912	415.25977	-0.14590394	415.25906	0	0	952	804	0	0	0	0	0	0	0	0	0	0	0	994	0	0	0	0	0	0	0	0	1240	0	0	0	0	740	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23619	0	0	17912	0	0	0	0	0	0	0	0	0	0	0	0	3615	0	0	0	0	Lipid	0.16666667	1.4166666	0.083333336
16	C24 H34 O4 N2	415.25912	415.2596	0.04343731	415.25916	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1922	1762	0	2393	2079	0	0	0	0	0	0	0	0	440	0	0	0	0	0	0	0	0	2434	0	0	0	0	0	0	12820	3733	0	2067	0	0	0	0	0	0	0	0	0	1615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1760	0	8806	41211	0	0	0	0	0	Lipid	0.16666667	1.4166666	0.083333336
22	C22 H38 O7	415.26904	415.2693	-0.10376846	415.26898	0	0	0	0	2661	0	23644	1638	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2330	21014	1667	0	0	1035	0	0	0	0	1525	0	0	0	0	0	0	0	0	0	0	0	0	3738	0	2636	1860	0	0	3306	0	0	0	0	0	1788	0	1843	0	2098	1946	0	0	0	0	0	0	2450	1368	0	0	0	0	0	2233	0	0	27680	17281	0	0	0	0	0	0	4899	0	0	0	0	0	0	2119	1117	1424	1896	0	0	0	0	0	4782	0	1303	0	Lipid	0.3181818	1.7272727	0.0
24	C22 H38 O7	415.26904	415.26926	-0.35770118	415.2689	1760	2004	1011	2223	1056	1904	27255	0	1200	0	1633	863	0	4120	0	0	0	0	0	0	0	0	0	0	0	2683	19891	7101	4513	3089	1132	2940	2706	2616	0	1972	2110	0	2146	0	0	1630	0	0	0	0	0	0	2476	1658	1862	1856	0	0	1194	0	0	0	1460	0	1553	0	2420	1191	4877	3631	2183	0	0	0	1827	1626	1891	0	1182	1446	0	0	0	5440	0	2021	12414	6602	0	0	2151	0	1109	0	10959	3312	3921	0	0	0	1742	2607	1257	1110	0	0	0	1785	6145	1334	0	0	0	0	Lipid	0.3181818	1.7272727	0.0
18	C25 H38 O1 N2 S1	415.27777	415.27826	-0.6412766	415.2775	0	1814	0	0	0	0	0	7724	0	0	0	0	0	0	0	2340	0	0	0	2290	0	0	0	3280	0	0	0	0	0	2372	0	3186	0	0	0	0	0	0	0	0	0	1617	1082	0	0	1983	0	417	3600	2456	0	0	0	2570	0	0	2040	0	57073	10690	0	1866	0	0	0	0	0	0	0	0	0	4212	5380	5948	2942	0	0	0	0	0	0	0	0	0	0	0	0	1216	0	0	0	0	0	2253	2416	0	1824	0	0	0	0	2566	0	50343	129137	0	0	0	0	0	Organosulfur	0.04	1.52	0.08
20	C26 H38 O4	415.28427	415.2847	-0.19773029	415.2842	5368	3018	4284	5130	1963	0	10239	4797	1930	0	2840	5770	0	3256	3063	6267	25326	0	3768	0	0	0	2782	2213	5521	0	10591	1507	7183	4421	3617	5741	4225	2156	0	7422	4311	3701	25038	0	1956	3697	0	0	0	0	2307	0	5680	5274	4358	1691	3523	0	2861	4022	2713	5019	2087	6248	5190	0	1572	1365	3469	3327	2254	26772	0	1953	2415	1444	4327	7053	18261	6943	0	2713	8759	1518	4036	1170	4596	0	6481	4834	10114	1798	3315	25166	2301	2466	5360	1777	0	0	3245	3187	3671	7630	7681	6051	2904	3011	2352	5378	5182	0	8286	0	Lipid	0.15384616	1.4615384	0.0
22	C26 H38 O4	415.28427	415.28467	-0.22759321	415.28418	28809	30644	23723	30226	25422	11150	54015	24148	19073	9600	17851	24373	8973	26364	25725	39724	88086	12939	30024	10381	11112	9651	19457	16504	35565	23743	52780	21818	33173	41961	23736	41049	25299	24418	11091	42625	28563	31012	87204	7464	19711	17786	0	0	0	4405	11794	0	34353	32877	31930	24592	21376	0	26208	31287	17810	35070	10578	28080	31641	6006	16625	17756	20484	22306	30731	103256	17295	14442	18531	12868	19604	39712	67035	37406	0	17964	40877	15400	33518	10587	26115	13311	48378	32933	64810	21358	24621	85299	27434	25161	28271	15450	14007	0	27541	27216	20350	39814	44074	45735	26222	20898	9751	22013	35251	0	38090	13714	Lipid	0.15384616	1.4615384	0.0
6	C20 H38 O5 N4	415.2915	415.29175	0.044951618	415.2915	0	0	0	0	0	561	0	0	0	0	0	0	0	771	0	0	0	0	0	0	0	0	0	0	0	0	0	2571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	100170	0	0	0	0	0	0	0	0	0	0	8442	2754	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.9	0.2
14	C20 H38 O5 N4	415.2915	415.2914	-0.38748115	415.29132	0	1808	0	2335	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11156	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2869	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39655	0	0	0	0	0	0	0	0	0	0	287658	84498	0	6439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.9	0.2
8	C20 H38 O5 N4	415.2915	415.29202	-0.06646824	415.29147	8577	6517	3779	5164	0	7079	0	0	0	0	1893	0	0	0	0	0	0	0	0	0	0	0	0	0	849	0	0	86186	0	0	0	0	1999	0	0	0	0	0	0	0	0	948	0	0	0	0	0	0	0	0	4890	6145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	396967	0	0	0	0	0	0	0	646	0	0	536219	250252	0	25945	1703	0	6108	6566	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.9	0.2
12	C20 H38 O5 N4	415.2915	415.29187	-0.30926427	415.29138	3082	2986	3807	1681	0	4235	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59802	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3732	3180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	544779	0	0	0	0	0	0	0	0	0	0	409252	195417	0	48968	2391	0	5245	3432	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.9	0.2
10	C20 H38 O5 N4	415.2915	415.29202	-0.103313655	415.29144	12387	10300	11185	9882	0	18435	0	0	0	0	3648	0	0	0	0	2278	0	0	0	0	0	0	0	0	0	0	0	150760	0	0	0	0	2022	0	0	0	0	0	0	0	0	2551	0	0	0	0	0	0	0	0	10738	10179	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	802047	0	0	0	0	0	0	0	0	0	0	759842	250652	0	53459	5117	0	10777	8900	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.9	0.2
4	C27 H42 O1 S1	415.30292	415.30338	-0.45355365	415.30273	0	0	0	0	0	3201	0	0	0	0	0	0	0	0	0	461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6146	0	0	0	0	0	0	0	0	0	0	34438	1517	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.037037037	1.5555556	0.0
26	C23 H42 O6	415.30542	415.30508	-0.3955979	415.30524	0	0	0	0	0	0	24953	0	0	0	2016	0	0	3169	0	0	0	0	0	0	0	0	0	0	0	0	19579	7759	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2698	0	0	0	0	0	0	0	10058	3374	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.26086956	1.826087	0.0
22	C27 H42 O3	415.32068	415.32104	-0.28092656	415.32056	0	0	0	0	0	0	1875	0	0	0	0	2060	0	0	0	2023	16201	0	0	0	0	0	0	0	0	0	3123	0	1905	3630	2105	0	0	0	0	1434	0	1229	16495	0	0	0	0	0	0	0	0	0	1366	4433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18428	0	0	0	0	1966	4710	7615	3427	0	0	0	0	1322	0	0	0	0	0	6183	0	0	25162	0	0	2054	0	0	0	0	0	0	0	0	1649	0	0	0	0	0	0	1770	0	Lipid	0.11111111	1.5555556	0.0
24	C27 H42 O3	415.32068	415.32095	-0.24471103	415.32056	4979	6677	6463	4803	0	1544	22029	15205	1082	0	0	8546	0	3310	9936	15673	59082	0	0	0	0	0	3507	4261	8235	0	17682	3455	17744	24364	14467	13217	3755	5826	0	20761	2611	14258	57791	0	1209	2436	0	0	0	0	0	0	15388	26174	6748	5519	1675	0	0	1331	4443	15134	0	1670	13610	0	0	0	6857	1343	5877	55053	0	0	0	5519	9802	28653	34452	22008	0	5112	18962	4146	6240	1759	2377	2392	0	0	45046	2570	3318	64532	4388	1906	3991	1649	0	0	3995	5643	1371	0	3442	12956	9004	1758	1397	6960	2731	0	14565	0	Lipid	0.11111111	1.5555556	0.0
28	C27 H42 O3	415.32068	415.32108	-0.16515934	415.32062	10763	11576	8957	8464	7171	3464	190721	20751	3524	0	8504	10022	2906	8560	12949	14411	24943	0	4985	0	2672	2076	12131	9406	18171	10855	149212	9136	19044	30880	16603	18759	9707	8326	839	27410	5481	17464	22099	1941	2784	7265	1373	1671	0	2680	0	0	16205	23793	10661	10353	5847	0	3765	6519	7219	16008	3694	4291	16709	4253	2618	3021	10936	10482	14868	30744	5718	1219	1087	4594	8201	29692	12607	18800	0	7925	24974	15883	12082	7625	7265	6997	14159	10577	66571	4254	7372	37842	7640	5687	11102	4493	2593	1304	10634	10615	6657	11709	16869	18041	9316	9332	7571	11312	13356	0	22782	897	Lipid	0.11111111	1.5555556	0.0
26	C27 H42 O3	415.32068	415.32104	-0.2516802	415.32056	16704	15453	14173	12780	4505	6789	64051	30344	4435	0	11097	14873	0	14510	17298	23827	69299	0	6804	0	0	3472	10518	6227	23973	9632	67603	12651	33070	53543	26511	31629	12371	13717	1514	46168	10728	29765	65075	2296	4860	8286	0	0	0	0	0	0	28872	35959	15084	15901	7352	0	5796	7827	13457	22919	4110	11684	26227	0	4628	3055	16809	5174	17493	74029	5507	3712	4463	8466	16401	54957	47043	38480	0	14187	28038	17628	17333	10061	12147	8123	12683	14875	98448	7880	9567	83606	11518	8031	12453	4499	0	0	14613	14875	7721	12708	11824	24730	16803	10609	5782	13646	8269	0	26400	0	Lipid	0.11111111	1.5555556	0.0
16	C19 H13 O10 N1	416.06122	416.06177	-0.03001487	416.06122	5448	10457	4989	5376	9468	4482	1682	0	14435	7846	8919	1624	22254	2544	1785	0	0	17389	9548	4439	11861	27995	4056	1652	0	0	0	0	0	0	1580	0	4420	0	17019	0	1798	1717	1669	7681	17623	3721	323	0	0	2309	8624	0	0	0	8295	8040	6169	0	14397	14507	5791	4442	1369	1777	0	8853	26947	17568	3870	17863	4566	1804	0	0	5464	0	0	0	1702	0	0	2114	6364	17468	3635	5035	1686	1666	15978	5242	6464	5534	7576	0	4347	2954	0	35253	20968	0	7194	5783	8676	12880	15053	3277	0	2118	4011	0	7507	0	1041	25441	Phytochemical	0.5263158	0.68421054	0.05263158
20	C19 H13 O10 N1	416.06122	416.06168	-0.09319628	416.0612	5479	7759	7333	7922	10717	6398	2326	0	13463	6123	2182	3832	17767	5257	4490	2757	2577	15689	14720	6343	10762	22603	3928	2891	2827	0	3129	0	1981	0	0	0	4800	1781	6263	1891	4822	1472	2773	4960	13090	5063	709	0	0	6131	9012	1144	0	0	6942	6291	8294	358	9730	13614	7679	3203	2339	3574	1756	4446	20587	17086	4768	13854	7625	5508	0	1565	0	3331	1142	0	0	0	0	2147	5692	16978	3629	4286	1762	0	12791	6298	10838	8239	6352	5448	2275	2579	5356	30776	18254	0	5137	5397	5839	11590	9809	3509	2026	1744	3169	3419	7355	0	4226	21979	Phytochemical	0.5263158	0.68421054	0.05263158
14	C19 H13 O10 N1	416.06122	416.0619	0.06980508	416.06125	3836	3314	2880	6306	8460	2446	0	0	15386	5933	8683	0	19454	0	0	0	0	11391	9885	3516	13330	17114	1542	2414	0	0	0	0	0	0	0	0	0	0	16597	0	0	0	1270	6068	14332	3925	0	0	0	3954	6335	0	0	0	0	3330	3528	0	10291	10560	3167	0	0	0	0	6741	25112	12293	3767	13273	3094	0	0	2244	3165	0	0	0	0	0	0	972	3707	0	3154	3156	0	0	11606	4250	4432	4349	2342	5420	0	0	3765	23661	14791	0	3241	4199	7068	13695	8432	0	1402	0	0	0	4879	0	0	20896	Phytochemical	0.5263158	0.68421054	0.05263158
26	C19 H13 O10 N1	416.06122	416.06155	-0.087521635	416.0612	4838	2634	5084	4543	5881	6781	0	0	7805	7095	0	0	10588	4812	0	0	0	11455	11878	0	7497	18100	0	0	0	0	1908	0	0	0	2237	0	2246	0	12996	0	2300	0	0	3321	6730	0	0	0	0	0	8359	0	0	0	3963	3765	5330	0	9237	6572	0	2081	0	0	0	3422	11641	10027	3035	7703	3322	0	0	0	0	0	0	0	0	0	0	0	5304	12663	4392	3356	0	0	7455	0	6198	4896	2668	4856	1836	2094	0	15557	21301	0	5039	0	4397	6008	6258	0	0	0	0	2287	0	0	0	22624	Phytochemical	0.5263158	0.68421054	0.05263158
18	C19 H13 O10 N1	416.06122	416.06174	-0.017095607	416.06122	9850	9091	7574	5682	16334	5967	1982	0	11022	11690	9385	1896	27546	3497	1878	3384	2874	18974	16459	4452	13877	27606	5016	4845	1823	0	2601	2477	0	0	1738	0	6938	0	13893	0	4030	1622	3372	4062	21761	6398	397	0	0	8905	11527	335	0	0	7516	5542	7649	0	17762	12308	5751	1551	1221	2267	0	8933	23819	20304	5650	21003	6937	2551	1917	1723	1604	0	0	0	3982	0	0	2936	8515	19458	5467	6372	1805	0	12660	6013	7146	9903	4078	8672	0	2929	3610	30992	26037	0	8441	4808	10543	15100	15873	3047	2688	0	4496	3426	6932	0	1444	24382	Phytochemical	0.5263158	0.68421054	0.05263158
28	C19 H13 O10 N1	416.06122	416.0616	-0.10095854	416.0612	6133	6148	6589	4587	6584	5054	2491	0	6703	13080	1788	1367	15018	3687	4824	2390	2652	13650	12786	3510	10591	17833	4372	3671	2114	0	1760	1007	0	0	2418	0	2522	1197	11247	0	3001	1985	2042	5350	9315	4255	0	0	0	3699	6596	0	0	0	7313	5780	6530	0	11065	5522	2889	2680	1338	2767	2324	5000	14209	10732	4412	9011	4279	1725	0	1566	0	1304	0	0	0	1391	0	1679	8004	9874	7470	3165	1882	990	9016	3672	7993	4488	4754	4951	3160	3824	4546	18471	21547	0	7503	5924	5649	7011	7437	4044	1638	2054	4233	3095	4393	0	2532	14984	Phytochemical	0.5263158	0.68421054	0.05263158
22	C19 H13 O10 N1	416.06122	416.06168	-0.18427086	416.06116	4006	3742	4005	4581	10024	5167	1381	3894	8912	10631	1485	2049	12179	0	2060	1983	3373	13499	11754	1772	6208	16338	4214	2617	0	0	0	0	0	0	2461	0	2649	1147	6038	0	4205	1225	1592	4191	10370	3747	0	0	440	2765	9578	0	1365	0	6341	1789	7505	328	9900	6958	4154	2311	0	2261	2598	3953	10954	9052	4493	6605	4660	1663	1670	0	0	0	0	0	1789	0	435	1834	10378	15119	3774	5741	0	1947	10649	2557	5957	5890	5182	7177	0	0	6830	23387	14965	0	3554	3922	6492	8207	7368	3025	1308	1451	5246	4329	6144	0	4910	14643	Phytochemical	0.5263158	0.68421054	0.05263158
14	C16 H17 O12 N1	416.08234	416.083	0.003498619	416.08237	4081	7691	3655	3795	18062	11268	0	1826	25598	0	4053	3181	61336	6169	4440	0	3391	24191	28301	0	5823	0	5536	0	0	0	0	0	0	0	1130	0	1834	0	0	0	3223	2400	1354	0	0	11590	0	0	0	2100	0	0	0	0	2501	4435	10909	0	24340	37562	7273	0	0	0	0	4532	55238	30500	12106	23011	10303	2447	0	0	0	0	0	0	3483	1028	0	3077	4253	0	3481	1251	0	0	35442	7256	2585	10142	8770	0	0	0	3657	12241	3502	0	4881	10033	23799	25390	29942	2746	3947	0	0	2397	22608	0	0	41403	Phytochemical	0.75	1.0625	0.0625
8	C16 H17 O12 N1	416.08234	416.0831	0.13376561	416.0824	3116	2908	2309	2038	6302	1899	0	1258	8714	0	1965	2472	15887	2163	835	0	827	8013	7156	1314	3140	3537	2225	1385	0	0	0	0	0	756	853	0	1534	0	2133	0	0	1008	0	0	2540	3793	0	0	0	0	1615	0	1397	1218	3971	2589	3614	0	11363	12648	2527	0	0	1138	0	1825	20370	12654	3828	7913	2964	0	0	0	0	1406	0	706	0	0	0	1420	0	0	1691	1004	0	0	10324	0	1310	5257	3783	0	0	0	1660	2281	1601	0	1774	2852	7923	11757	10198	2130	1520	0	0	1942	6779	0	0	16739	Phytochemical	0.75	1.0625	0.0625
16	C16 H17 O12 N1	416.08234	416.08295	0.1414309	416.0824	3614	2395	0	2786	17420	5510	0	0	16171	2596	4614	3665	40436	6837	2508	0	3376	19933	11417	1849	2920	3996	4381	0	0	0	1954	0	0	0	0	0	1982	1291	3161	0	0	1715	1899	3190	5055	11186	428	0	0	1961	2737	358	0	1820	4844	5581	7287	0	20621	30272	7836	0	0	2543	0	3990	30620	19975	7572	13339	8011	0	0	1493	0	1379	0	0	0	0	0	1674	2194	0	2579	1277	0	0	22190	6919	2030	6890	6788	0	0	4896	0	4328	0	0	2909	4554	16103	13777	23331	0	2751	0	0	0	16313	0	1682	34672	Phytochemical	0.75	1.0625	0.0625
10	C16 H17 O12 N1	416.08234	416.0831	0.16146135	416.08243	9504	12156	8188	7680	33112	8600	0	0	40080	4416	10514	5858	61308	6634	6258	0	4834	39612	31828	6540	13805	16172	7336	4574	0	0	0	0	0	2288	0	2480	6132	0	6656	0	5366	4368	2786	3610	7388	17536	0	0	0	0	6030	0	0	1936	9268	10100	14888	0	49138	54948	11210	2662	0	0	0	0	72728	51882	13346	31006	11550	6044	0	0	0	0	2504	0	6884	1774	0	3754	5434	0	3234	0	0	0	41734	9972	0	15066	13816	8296	0	0	6786	16456	8746	0	10430	9394	32204	42486	46836	11540	5872	5054	0	5936	28116	0	0	74958	Phytochemical	0.75	1.0625	0.0625
10	C22 H18 O4 N1 S1 Na1	416.0927	416.09357	0.50104624	416.0929	0	0	0	1325	0	0	0	0	958	0	0	0	0	137057	0	0	0	0	1230	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1156	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16755	1083	0	0	8176	0	0	2165	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	854	0	0	0	0	0	0	0	Organosulfur	0.18181819	0.8181818	0.045454547
8	C20 H17 O9 N1	416.0976	416.09827	0.043687668	416.09763	6909	5395	3169	6585	9282	3046	666	965	10619	23096	14472	1513	14797	2375	1729	2015	2417	7065	12157	11008	16652	18446	2206	2701	794	5536	1136	7363	1350	0	1079	1236	2206	0	33127	0	2289	1932	2259	9221	19616	3043	0	0	0	7842	13382	0	1895	1540	7411	7661	3942	0	9249	10671	3273	2853	0	2232	5792	9229	17508	10765	0	11264	3374	1998	14176	9488	29083	763	1057	0	1785	1057	0	573	3527	7939	3453	4623	1178	2268	10614	4041	3165	2749	2947	5392	0	0	3408	17713	13862	0	4838	5786	6357	14640	10565	2335	1458	0	0	1994	6594	0	1335	17249	Phytochemical	0.45	0.85	0.05
22	C20 H17 O9 N1	416.0976	416.09805	-0.12582503	416.09756	15882	13438	10274	11711	16335	11025	2740	2739	16503	55405	22171	3863	16617	11094	5076	3741	4254	21786	14206	21634	38183	58844	6258	5104	5467	9144	3154	10014	1266	0	3736	0	5063	1190	61037	1391	4829	4767	4132	28418	28612	6919	0	0	0	29057	38469	0	4050	0	16594	18821	12147	765	22558	11950	7876	6647	4071	4756	4830	24393	26319	18767	4085	21627	7824	3461	18591	25216	20389	1546	0	1403	2640	2667	410	2733	14211	38067	8525	27155	2980	11358	15885	10602	10233	10392	7853	7204	9997	10288	9192	64794	81295	0	12982	14455	9816	19975	15793	3938	2234	3875	20848	6646	13948	0	4557	30883	Phytochemical	0.45	0.85	0.05
20	C20 H17 O9 N1	416.0976	416.09805	-0.15566067	416.09753	28210	29317	28351	28558	28845	18448	7393	3384	36333	121788	38179	5809	54171	15508	9581	9058	5034	42268	37621	41809	60021	95277	10006	12455	6844	23643	6239	24581	5988	3734	2625	3751	6238	3591	116164	5738	15790	8772	9377	64784	62581	7881	1021	0	282	45604	78109	0	3833	4276	26418	32197	20417	303	32242	28816	15281	10625	8842	11681	8631	39132	48466	31323	11925	32598	14335	5408	38236	35473	60552	3435	3471	1407	3344	2167	0	6127	23645	80684	12130	39363	7937	35204	26786	15006	18797	16017	15270	12034	18769	24654	21512	107556	110135	539	31481	26787	21684	28173	28836	13203	5034	11823	38198	8712	24597	0	10575	50421	Phytochemical	0.45	0.85	0.05
18	C20 H17 O9 N1	416.0976	416.09808	-0.08504754	416.09756	54395	37997	47150	39005	42607	26469	7989	10967	38640	161148	69563	8652	67591	17580	9798	15506	9974	51052	50109	79656	115089	128576	18965	14918	14074	50364	11578	41079	6884	9138	11541	4406	17819	8835	173791	5906	18279	11847	9579	95997	87458	16619	1254	0	0	66119	95273	723	10984	5510	32971	33908	32209	347	59704	41419	18071	16679	15530	12936	16291	67443	75938	46320	17797	57084	22744	11784	57673	70215	88193	7702	2833	2096	5381	6307	0	7955	26511	105690	21533	61862	10993	51481	44132	29598	29310	15711	18698	22656	36999	39705	30241	128012	175468	0	44332	41449	36419	38105	40430	17746	7110	15556	47970	16119	28903	0	13064	65532	Phytochemical	0.45	0.85	0.05
24	C20 H17 O9 N1	416.0976	416.09802	-0.15317567	416.09753	10492	6224	9416	10692	7532	4259	0	2300	8903	31633	9003	1840	11911	2635	2553	2298	2604	12863	8127	8919	20615	34390	4096	3225	2184	2970	1139	5554	0	0	0	0	3046	2158	35948	0	2574	2251	1390	13110	15909	2382	0	0	0	17032	20685	0	1459	0	7756	6402	5119	0	10016	7428	2227	2473	3328	1203	1490	13182	16223	14212	4078	8000	3521	1915	9019	10727	8810	1351	929	0	0	0	0	1818	4138	23310	5169	12839	3150	8953	11074	3354	6217	4288	2704	3128	4384	4248	6541	35106	53389	0	5541	6166	4139	8734	6904	2297	1337	2319	14279	3187	4501	0	2780	18378	Phytochemical	0.45	0.85	0.05
12	C20 H17 O9 N1	416.0976	416.0982	-0.04921828	416.0976	24661	23861	25086	20971	29257	14252	6339	6853	37084	96824	55571	6935	44321	12211	9799	10389	8631	28364	34350	46802	75903	69430	15654	9249	6009	32602	3388	28800	5159	2533	6502	3119	11199	3380	131471	3331	7444	11154	9209	46072	81237	10359	327	0	0	39444	71219	0	4550	4741	26728	19031	17985	0	40735	27558	11323	13196	7314	12067	0	46305	68547	32037	8508	36980	16556	11209	68466	66126	102762	2919	3581	1553	3088	3955	0	7573	21007	47205	13488	30303	6518	22916	29147	12346	21834	10194	9466	43317	11044	18851	24526	81268	60502	0	24091	21083	26220	34402	30979	9793	7041	6717	32472	12542	23595	0	8870	53672	Phytochemical	0.45	0.85	0.05
28	C20 H17 O9 N1	416.0976	416.098	-0.10112226	416.09756	5022	4757	7818	5671	5403	3955	1417	0	6089	29581	6935	1388	8605	2521	0	0	0	8616	7991	9069	12741	17810	2677	2566	2644	2412	1459	4121	0	0	956	891	3467	0	23985	0	3496	1003	2060	10682	12050	2918	0	0	0	10415	10921	0	1193	0	5586	6948	5434	0	7529	3493	1909	1748	2554	2611	2898	7486	8630	7221	2081	4589	3020	0	5014	8192	9049	1168	958	0	0	2166	0	1359	4927	22101	3048	6877	1807	4553	5927	3334	3179	2481	3630	937	2597	7214	3575	20625	31010	0	7084	4412	3035	4043	3172	0	1935	3606	6979	2999	2615	0	1684	10341	Phytochemical	0.45	0.85	0.05
10	C20 H17 O9 N1	416.0976	416.0982	-0.013104271	416.0976	12295	15822	10732	13941	15155	7127	1379	4165	24127	54105	37505	3213	27702	6583	4399	4778	4100	16915	20426	25409	52399	36996	7759	3675	2259	14160	2874	11380	3642	1734	2715	4072	7137	2021	73428	2651	4465	3376	2776	22820	43999	4790	0	0	0	16426	35189	0	2003	2905	16338	16114	9494	0	23804	17978	6556	4706	0	5239	0	21572	33574	18001	7060	22615	6595	6244	35566	33741	57653	2447	3025	0	3177	1919	0	3216	11195	19915	7219	16609	3505	10876	20024	7256	8107	5795	4526	10964	0	9052	8640	36299	37035	0	12717	15381	16330	18794	19216	3929	3518	3863	16295	4503	14321	0	3211	30775	Phytochemical	0.45	0.85	0.05
26	C20 H17 O9 N1	416.0976	416.098	-0.1770273	416.09753	6859	7035	4907	5054	4896	4356	0	0	4770	26821	5694	0	9842	2311	0	0	0	10692	10472	5553	14360	25905	0	0	0	0	0	3289	0	0	0	0	1649	0	23781	0	2711	0	0	11394	11940	0	0	0	0	8956	17756	0	2071	0	5472	5076	5258	0	7545	0	0	0	0	0	0	8665	10379	7165	0	5734	0	0	6109	8063	7970	0	0	0	0	0	0	0	3785	13512	4841	9408	0	4117	6961	0	3320	0	2205	1917	2996	4200	4334	25131	40520	0	5118	9215	2818	3232	0	0	0	0	7653	2619	0	0	0	16239	Phytochemical	0.45	0.85	0.05
14	C20 H17 O9 N1	416.0976	416.09818	-0.014672416	416.0976	37385	36639	34210	37623	35839	22603	13362	9003	46037	159524	88393	7355	71644	20117	14049	15132	9627	44826	47453	69709	108590	116697	19521	18725	9191	55263	5360	50941	8838	3726	7438	7324	16362	6780	192204	6250	16289	16903	12191	76538	108315	13988	0	0	0	51271	94744	0	8710	5211	36445	37871	27816	0	52715	37562	15705	22043	16647	20793	0	67225	77511	48823	21723	43679	22164	12708	91565	81401	126112	6791	3725	3720	5508	3896	0	8110	23254	110330	17534	50028	10009	41600	38402	19287	28759	25139	15893	37239	21110	27583	29585	118792	124916	0	37370	33533	31168	44626	40961	15437	8119	14156	47957	16605	29930	0	12197	69210	Phytochemical	0.45	0.85	0.05
16	C20 H17 O9 N1	416.0976	416.09814	-0.055756774	416.0976	40876	46125	49950	42245	41061	29208	8727	9255	51086	189070	92741	8946	75137	21074	16733	21504	14543	62994	58412	115995	133345	135049	21815	18718	12025	60047	10789	53588	10910	7847	9212	10879	18112	8446	217536	7171	20215	10792	13263	101158	109107	16598	1183	0	0	64268	113191	613	9314	8348	43768	36960	30218	0	43641	44049	23817	23859	15891	19188	22175	72383	87757	51352	16623	59232	26785	9567	79213	93541	115108	9329	9159	6787	11699	6983	315	9766	31511	115515	20854	58930	13873	59594	54594	22246	34133	19385	22373	42015	42756	42209	42421	137371	175258	0	46364	47282	36188	52020	46965	21076	6995	18617	46647	29675	32648	0	17856	77403	Phytochemical	0.45	0.85	0.05
16	C17 H21 O9 N1 S1	416.10098	416.10156	0.009256094	416.10098	10604	10249	11827	12203	7933	8116	2820	6755	8645	36504	14941	3791	15082	4122	4943	2585	2791	14237	14254	20098	16430	31444	7182	6537	5199	5754	1533	11424	2774	5241	3469	0	6813	2168	43497	3669	6294	4294	5016	26859	12842	4790	0	0	0	13155	8222	0	5858	3899	9976	12933	9120	0	12982	7861	5815	8619	13900	7884	7390	21603	9600	10263	3351	10280	6368	4815	12255	12543	16240	2530	1984	2984	4260	1584	0	3785	4629	17555	3824	7738	7794	11190	3365	3148	5472	6068	5637	0	13369	39732	0	19043	32114	0	9708	13480	5966	4814	6301	6515	2193	11401	6135	0	8776	0	3610	16030	Organosulfur	0.5294118	1.2352941	0.05882353
14	C16 H21 O8 N3 S1	416.1122	416.11282	0.03600471	416.1122	119609	110834	106853	116222	159075	127254	51022	102789	220282	106516	143029	85862	343873	77684	104719	84078	94604	280604	256942	169389	294115	163855	142800	90069	35808	39414	41922	52380	73266	81343	65051	66479	110732	57617	172231	73447	76741	78848	72208	103192	178292	121912	4947	700	609	147557	240770	1435	52849	97041	109234	104782	126946	831	347565	197066	86035	58091	116558	106892	112154	150650	267801	243161	84235	160189	109994	66629	193003	89106	132275	65377	68034	75863	84119	67095	607	80886	76511	114692	67754	112362	29300	32901	223076	108002	64827	97262	93511	63020	25999	61078	110639	130604	104438	1190	102038	153429	175627	148184	165763	120334	78519	96648	231061	83361	187969	669	31497	275187	Peptide	0.5	1.3125	0.1875
20	C17 H21 O11 N1	416.11874	416.11923	-0.020817328	416.1187	16005	19078	19534	16780	34719	30896	11503	18896	26355	12920	19152	20846	44586	10108	19127	11134	23060	43533	37046	26067	39765	14780	24188	14433	2744	5916	6775	4947	11932	17264	13108	11113	11692	7822	7753	19868	13897	17145	12076	12775	35909	23291	2634	691	877	30871	70433	664	9327	15276	18414	17759	26663	561	37722	28639	17733	11941	16398	14941	12062	32926	32967	32228	18721	19448	22578	14875	40876	7102	31534	19042	14729	15019	21532	11441	834	19578	15971	13188	11306	23119	5782	10274	49258	23452	7013	17062	17924	7622	4189	7385	13409	15621	10829	1053	22074	25045	34905	20928	27473	17023	16972	14385	39096	17829	35112	0	9219	44885	Phytochemical	0.64705884	1.2352941	0.05882353
6	C17 H21 O11 N1	416.11874	416.11945	-0.047312208	416.1187	13542	12990	15388	12723	17729	12189	4124	13776	26796	17202	17409	12069	42115	7012	9910	15067	17670	30287	39306	22283	29821	20368	17236	16223	3518	2399	5649	4474	11227	10247	7774	8436	10831	8760	21253	8616	10992	8600	17820	9556	22400	21118	0	0	0	11120	17469	0	9866	13945	15685	16382	16721	231	34747	33888	12857	8510	9574	13879	13607	13721	47435	34639	14333	26998	17220	17974	11338	3452	8085	10145	8895	9356	10640	10154	0	8311	8939	3640	8115	5095	3950	2426	36250	19722	10278	18851	18144	15599	0	6904	15843	16829	19820	0	15891	19339	20362	29989	35460	20146	9074	16849	9157	15939	26203	0	4590	45850	Phytochemical	0.64705884	1.2352941	0.05882353
26	C17 H21 O11 N1	416.11874	416.11917	-0.123948455	416.11868	4121	3695	5322	6140	5968	8713	0	0	11306	6028	5824	6422	7921	2338	0	0	0	11707	7621	11114	22421	3451	7385	0	0	0	0	0	0	0	2809	0	3327	2149	7436	0	3391	0	0	4430	11400	0	0	0	0	6480	16451	0	1973	0	5141	4725	6757	0	7758	0	0	0	3927	0	0	10011	5990	6716	0	3839	2941	0	11882	5144	10423	3912	2856	0	0	2625	0	4275	0	0	2811	5332	0	0	6991	0	0	3291	4619	0	1501	0	0	3231	0	0	4143	0	9836	2266	0	0	2917	0	7989	2097	4492	0	0	10547	Phytochemical	0.64705884	1.2352941	0.05882353
28	C17 H21 O11 N1	416.11874	416.11917	-0.122142054	416.11868	6717	7683	8407	7982	10196	8432	1576	6385	9453	11961	7934	5376	11731	2965	4205	3944	3673	14251	9606	15437	22724	5780	5437	5535	0	2688	2860	3322	3326	3592	4355	2874	4622	4548	14137	3874	4372	3130	3669	8543	14960	4836	0	0	0	8104	23922	0	2889	5059	8724	6117	7916	0	9480	5774	3887	3285	5137	4407	3733	13687	8608	7088	4907	5473	5950	3355	14786	10902	20093	5858	4656	5507	7525	3641	0	5328	2688	0	4218	7846	1935	2614	11045	3847	3026	5250	4351	2369	2066	4875	4613	3265	3766	0	7531	6138	8410	3458	4312	4458	4707	4746	12162	4144	8307	0	1553	13310	Phytochemical	0.64705884	1.2352941	0.05882353
2	C16 H21 O10 N3	416.12997	416.13077	0.101764716	416.13	6650	5314	4688	2742	10416	0	0	5888	11544	5570	2418	4266	25174	4248	4808	0	6254	14300	10768	2556	12536	10264	7918	3680	654	2376	0	0	2620	930	5832	2710	7236	4768	9406	4944	7750	3266	7348	2484	7144	0	0	0	0	840	5528	0	6256	2694	5652	4604	9864	0	13008	9034	4644	10014	2650	2420	0	2470	28904	15900	0	19856	5490	7392	4332	3626	7552	2116	6210	4248	0	4970	0	5272	6098	0	3345	0	794	1754	10382	4202	3798	10294	7776	18350	0	2004	10736	5790	606	0	8004	8364	5718	10795	10920	3942	3470	3806	4106	9756	6974	0	2650	25188	Unclassified	0.625	1.3125	0.1875
26	C21 H21 O8 N1	416.134	416.13443	-0.1819354	416.1339	3105	5597	4646	3879	4532	4141	0	0	4949	23665	9833	3165	7154	2754	0	0	0	5071	5845	6566	11589	12760	0	0	0	7579	0	4632	0	0	0	0	1824	0	18480	0	2651	0	0	9698	12026	0	0	0	0	6305	11896	0	0	0	5925	3904	5387	0	5263	0	0	0	0	0	0	7203	5782	2862	0	5900	2965	2785	9303	14132	18317	0	0	0	0	0	0	0	3282	9885	4346	4219	0	6429	0	0	0	3416	2353	2276	3224	3309	5060	13366	16823	0	5405	0	0	2440	0	0	0	0	0	2793	0	0	3492	8098	Phytochemical	0.3809524	1.0	0.04761905
22	C21 H21 O8 N1	416.134	416.13446	-0.12012397	416.13394	32685	22898	18966	25482	26564	19408	6707	8057	24608	90023	54394	6075	32068	14735	8972	13410	7670	26957	22791	61410	74662	59702	14641	17657	10654	50203	2433	36788	10772	8965	7572	7206	11777	5221	98941	6510	14433	8156	11564	58001	51781	15547	0	0	309	49967	55321	0	13020	8192	25079	20531	21072	478	21624	20518	10225	15573	10530	10204	8375	44861	39394	22874	9893	27193	16618	7913	57612	79265	86313	9932	5913	2500	5016	5978	351	7610	21133	45336	15137	31878	10824	26152	25388	19853	15697	14769	16781	15596	15818	19027	17775	68164	75945	0	26667	23828	22819	19521	21923	11910	8952	15515	34649	13284	20231	0	10428	36029	Phytochemical	0.3809524	1.0	0.04761905
12	C21 H21 O8 N1	416.134	416.13458	-0.05419494	416.13397	48650	59002	56557	53508	43698	26914	20475	27417	44732	175751	106240	15654	54427	20692	20776	30981	24012	52690	61094	147610	167991	115803	30393	37369	24503	118216	15644	84499	23390	21089	21581	20001	38992	20151	238509	19218	30220	28249	32976	114593	149085	18604	952	0	0	82432	104509	0	25847	21645	56540	54592	32557	0	53710	38719	22719	35117	24213	29803	31796	86249	73614	40740	15009	48472	27805	27743	167307	197861	232683	20427	20948	18594	16296	19192	0	19619	34094	55496	27706	50615	23027	63597	42796	22206	36490	18947	21579	55138	33622	47450	51974	95272	95337	0	52291	56598	33703	37583	34446	22416	13353	34652	41210	27772	27451	0	23636	65886	Phytochemical	0.3809524	1.0	0.04761905
14	C21 H21 O8 N1	416.134	416.13455	-0.057842392	416.13397	71867	68100	65083	73887	58737	35584	33909	40051	60511	237659	147710	28182	77258	47170	34475	45648	35109	63841	75670	186790	228140	151256	33505	43639	30712	184306	27816	142954	28298	33851	26313	35034	44641	28214	306732	30204	41336	30260	36461	160319	164905	31542	0	0	0	102314	127834	0	37291	27112	71623	66902	48585	256	76345	49698	27687	43937	33501	39421	35728	109560	95712	56369	27303	59863	39792	34087	224832	263808	270172	31335	23309	21793	31783	33658	0	26269	51993	97883	37538	75718	31958	99889	59278	33941	50033	32794	34414	62982	62505	64743	73482	134931	156596	0	85129	76237	47890	55556	52035	42013	22287	49719	82621	36697	38316	0	33803	84936	Phytochemical	0.3809524	1.0	0.04761905
10	C21 H21 O8 N1	416.134	416.13458	-0.0553011	416.13397	38338	38432	37988	34347	24033	19635	14058	20300	33597	148066	74499	11154	42359	17086	14518	20311	16837	30307	42772	110975	125573	78754	16651	23505	10622	81447	11598	52794	15154	13289	14939	15766	22694	11667	176518	15374	19958	14012	17688	79061	87630	15916	0	0	0	49052	75812	0	18552	14895	36150	40026	20381	0	39317	23698	14422	25466	13084	19295	17265	56495	42032	31623	12209	37572	16097	22588	109768	129398	146706	16874	15732	10662	13211	14074	0	12100	29728	45054	20283	35008	15475	40144	31608	16277	23133	13734	15874	33210	24831	35121	34354	72979	85949	0	38044	39204	30265	25823	27619	19814	9996	27405	40837	19008	19939	0	14178	40206	Phytochemical	0.3809524	1.0	0.04761905
6	C21 H21 O8 N1	416.134	416.13467	-0.07927689	416.13397	9322	9308	8910	8231	10331	4418	3341	2775	12791	40384	19079	3979	15764	4645	5014	3904	5295	10701	12852	25755	37133	20949	6426	5991	2070	16499	3078	11519	4235	2134	3602	3040	6683	3757	45588	3848	3901	3886	6520	13482	23505	3655	0	0	0	14276	29085	0	6523	3569	10404	9664	6877	0	13412	9786	4284	5967	3602	5717	4786	14040	18881	8747	3228	9377	5464	5036	29829	30057	48434	4884	2913	3080	1848	3486	0	2622	8483	10214	4726	9860	3224	9717	8958	4654	6787	4990	6032	9706	7281	8121	7505	18788	21276	0	11065	11130	9276	9674	10364	6370	2696	6918	16283	4663	8792	0	3562	13074	Phytochemical	0.3809524	1.0	0.04761905
24	C21 H21 O8 N1	416.134	416.13443	-0.09257272	416.13394	9426	9875	9190	9175	5861	7515	1197	3284	9156	41743	15847	3716	12209	6994	4645	5620	2259	10382	13866	22323	24135	27460	5250	5344	3056	19456	1693	14438	2257	2212	2075	2746	4423	3735	37436	2021	5731	3443	2330	25602	22347	3654	0	0	0	17128	25983	0	4187	2531	8663	9882	8101	0	11278	6614	3768	4431	4706	3162	5639	14815	14487	10044	2390	10180	6400	4184	26562	25174	36813	2376	1388	0	1865	2189	0	2023	3835	19559	6301	16572	4723	14768	11299	5107	6866	3745	7234	5274	5832	2706	8665	26382	30957	0	8056	7669	7834	6067	6330	4102	3113	3952	11859	6404	5086	0	2582	14395	Phytochemical	0.3809524	1.0	0.04761905
8	C18 H25 O10 N1	416.15512	416.15576	-0.09988946	416.1551	90919	93881	70810	91130	57330	49195	48657	113902	92062	126696	83393	70678	124273	32209	86099	105654	90397	99140	127743	152943	169692	111537	101810	128959	42605	60218	51745	46015	98480	94960	77291	89225	82083	72485	150800	94105	95258	67873	86512	92721	103729	72737	1853	0	300	115982	139201	0	83808	109743	81473	88128	57835	500	138717	81560	49620	75168	100181	79296	125476	83450	110391	90750	42941	75797	56855	78024	113898	71363	100222	80433	85886	107798	68869	84210	0	65888	78399	46212	63023	54696	59209	47619	91629	61311	59660	56400	62827	75389	38108	77733	121286	65848	98152	813	89701	118783	70398	68073	82631	108276	61385	142336	81730	71945	84041	0	44594	109517	Lipid	0.5555556	1.3888888	0.055555556
10	C18 H25 O10 N1	416.15512	416.1557	-0.109199494	416.1551	214089	193674	194088	190634	148658	122479	126321	294920	195998	327143	193184	167465	263879	77143	211280	249277	189374	294333	316075	433801	452686	239921	242295	305536	120814	224956	122529	113630	219482	239924	172392	189007	221841	170944	363041	238079	218717	154300	156904	239501	236129	157483	7084	672	477	272598	290814	657	198105	256890	200587	205619	139070	1270	359653	189025	103249	202549	253536	181812	282353	197377	218570	218679	102232	174204	133034	163452	325136	219931	261557	217689	191541	235504	161657	175373	662	155657	184333	135148	166202	158987	145303	108716	235407	147033	141680	131123	139443	143149	107424	161716	268774	156800	228218	2283	201898	287513	169832	148125	176095	265593	150032	299938	246821	186333	199971	0	114684	244453	Lipid	0.5555556	1.3888888	0.055555556
28	C18 H25 O10 N1	416.15512	416.15555	-0.16612965	416.15506	11502	8914	9738	9182	8151	7639	4392	11052	7862	26733	10115	5417	10844	3589	9468	9527	7850	13306	9866	34268	35980	9049	8676	10791	5704	17006	4300	7189	8776	8521	7361	6483	8713	8146	22383	10034	10176	5946	7472	11619	15311	6062	1715	0	0	12321	15198	0	6725	11908	9605	11264	8118	0	8775	5958	4564	7175	6849	6651	6171	10925	8458	7408	3798	8139	6222	7081	24502	32920	30813	11063	9260	13357	10218	7548	0	6159	5310	2207	6711	7799	5322	11225	9075	5048	5860	3273	4580	5049	5032	7977	8947	4717	7779	0	10762	11570	5076	3174	5021	7140	5592	11654	7550	6913	5615	0	4272	11098	Lipid	0.5555556	1.3888888	0.055555556
22	C18 H25 O10 N1	416.15512	416.15555	-0.10457682	416.1551	65522	69492	73574	76792	58464	53794	29600	101968	70292	103487	48886	64120	78842	26880	78464	70484	54884	98936	62622	120556	152163	46670	76914	86678	34960	92897	30202	41535	67742	65694	67058	64466	61484	75624	71471	84480	59196	46120	48594	80599	87714	44422	6602	0	2492	112533	188053	0	76264	84986	76692	68029	52372	2656	82116	78974	42844	51852	46250	54810	66690	90061	73308	83260	32396	58982	41110	36634	122360	128480	144823	69744	66642	89608	67944	65572	2184	64552	71936	35820	52470	86542	35388	51151	93618	60256	36690	40400	42272	34046	34374	34514	76720	41751	49304	0	64466	70548	61378	44624	54675	58888	57822	81220	104794	58606	66344	0	41680	93838	Lipid	0.5555556	1.3888888	0.055555556
26	C18 H25 O10 N1	416.15512	416.15555	-0.15153724	416.15506	9963	6650	9706	7733	5204	5218	1892	8344	7184	20914	5098	6339	8694	0	9791	5251	6180	12262	5802	22525	22030	7289	11474	8349	0	9549	2649	3170	7917	7150	6506	9353	4922	8365	15372	6134	7721	4397	5401	11296	11842	0	0	0	0	12230	15801	0	7910	8293	9847	7107	4978	0	8394	0	2767	5710	5477	6150	8180	9472	8719	7245	2721	7287	2701	4711	13547	19451	23357	10070	11419	10484	11090	4994	0	6624	4406	0	7981	5306	3440	4438	9959	0	3388	4018	4334	4349	4438	3820	6342	2746	0	0	7258	7877	5479	3416	5843	5810	4842	10266	0	4327	5170	0	3982	12141	Lipid	0.5555556	1.3888888	0.055555556
2	C17 H25 O9 N3	416.16635	416.1671	-0.07155553	416.16632	6332	6246	5572	7161	5004	0	3192	8437	6264	2083	0	6740	11026	2130	4507	1478	7781	9422	7994	2596	4408	11938	6331	7441	2131	0	0	0	8777	3604	8826	8303	13956	6814	5177	7313	11512	4804	9477	2244	3671	6043	0	0	0	3149	2405	0	8579	4591	5730	7964	6478	0	7597	3606	2906	9069	3265	3184	2006	895	10803	7587	3010	10404	8564	11158	0	993	977	7929	7028	4668	650	6606	0	4704	5542	0	4337	1300	1748	507	5609	3323	6910	8737	8204	17655	7555	7445	22335	2522	527	0	5958	7091	3354	4854	4969	5764	5856	4225	1586	11602	3760	0	4138	12296	Peptide	0.5294118	1.4705882	0.1764706
10	C17 H25 O9 N3	416.16635	416.16696	-0.04741231	416.16635	12539	9451	10287	7618	4528	6045	5959	12550	6242	5111	2931	7776	6641	4455	18105	13708	7286	9478	12965	5291	5421	19015	9835	12794	9929	0	7631	3495	15276	9878	9480	11838	14744	10082	6729	10246	15844	11153	9356	4498	2766	6659	0	0	0	5422	5088	0	11601	11859	8212	12568	6290	0	10758	3542	5258	16887	7099	2856	12624	0	7847	7159	8924	7319	7132	10832	0	2363	2203	10543	9024	11164	6733	10349	0	8859	8075	5101	6631	3352	4647	0	5014	6786	11725	4333	8637	16996	17272	22171	29377	6742	4606	0	11709	10036	3739	3525	3074	14188	10262	8587	0	14937	4179	0	6793	15645	Peptide	0.5294118	1.4705882	0.1764706
6	C17 H25 O9 N3	416.16635	416.16702	-0.05524307	416.16632	14438	16365	13943	13415	8397	8333	8469	17614	14102	5700	5463	9911	13799	4914	13906	20719	15804	13733	18562	8807	6293	20012	12909	17983	8463	0	6471	2366	11317	13097	12999	15071	24974	12800	11681	12477	19971	11224	17559	4088	6287	9209	0	0	0	6775	7788	0	15919	11954	14786	10907	8849	0	17458	6941	6719	17692	9370	6075	19647	4180	17530	11724	6090	13549	11806	17555	1780	0	0	12907	13249	10389	8211	10712	0	10150	10827	0	7495	3954	3842	1497	8591	6593	12220	11442	11251	23578	16932	20142	34757	4139	5129	0	14480	13088	5016	5850	6877	15834	9083	10084	0	19572	5520	0	8911	21021	Peptide	0.5294118	1.4705882	0.1764706
8	C17 H25 O9 N3	416.16635	416.167	-0.035695396	416.16635	14814	13307	9862	10786	5330	7433	7102	15791	12215	8027	6883	6519	12493	3261	15244	14447	12096	12335	15590	8663	6899	22579	16506	16797	7909	418	8119	3435	13284	12336	12196	12512	19345	10606	11642	11828	17140	12202	10033	5055	3424	7319	0	0	0	11420	6630	0	13355	11347	10470	14544	7279	0	16805	4803	6181	17712	10233	4671	15478	4904	14114	12841	7557	12749	10108	13154	0	0	0	14591	9689	12000	7853	11512	0	10131	9336	15427	8609	4717	5870	0	7779	4975	10094	10849	9559	21649	10839	31819	37352	7374	4633	0	16611	11929	4788	3341	3235	17067	10766	12106	0	16538	4973	0	10503	19710	Peptide	0.5294118	1.4705882	0.1764706
6	C22 H25 O7 N1	416.17038	416.17105	-0.11800812	416.17032	16143	19453	17688	13851	8679	9123	8112	16025	11447	55130	28175	7474	14680	6798	7781	14248	11172	12649	19302	50927	73070	27457	9445	17445	9570	41585	9014	19732	11866	12837	10442	11904	15771	9751	61833	12300	13960	9111	11806	28897	37655	7033	0	0	0	25740	26384	0	17200	12198	19378	14611	7856	0	14695	8346	6308	15285	3229	8325	13271	22270	14166	11836	5965	10241	11807	13410	44655	65123	70607	11483	10899	8862	7408	10960	0	4968	9341	13962	8859	10209	5682	19172	10303	6201	10839	7960	6853	20332	18948	17439	20088	23723	36661	0	16299	17397	7392	6958	6722	9723	6383	18856	15638	13929	7253	0	9850	10836	Phytochemical	0.3181818	1.1363636	0.045454547
24	C22 H25 O7 N1	416.17038	416.17078	-0.13820307	416.17032	17276	17559	18519	22085	19342	14085	5827	12864	17191	51371	33267	6001	25404	10588	8295	11366	7799	21744	21756	30080	41183	25676	12975	18050	9223	42773	5261	28959	8825	10676	10891	12101	16828	8074	42643	8175	16002	8238	8986	33576	41521	12510	2562	0	0	25332	33424	0	14944	6636	16318	20730	12574	0	18186	11456	8136	12741	10093	6595	15218	26537	16725	14750	6362	19915	14102	7033	58050	62783	75157	13666	9341	5936	7911	8380	0	8210	12411	20054	10779	17431	7779	23353	18246	9355	15172	12553	14108	13142	8986	13925	24571	25883	30773	0	23285	18927	13262	13857	15680	12061	7410	17136	21633	16646	10463	0	12738	18494	Phytochemical	0.3181818	1.1363636	0.045454547
26	C22 H25 O7 N1	416.17038	416.1708	-0.09510455	416.17035	7657	9332	7668	7378	6245	5191	2865	6071	7583	13127	10704	5414	6711	0	0	6823	0	7877	8940	9700	16533	9086	5674	11984	0	12455	0	10232	0	0	5619	0	4035	5887	15032	0	7422	2483	7283	14004	11860	0	0	0	0	7270	9628	0	5834	0	9391	7952	5049	0	7191	0	3580	8658	4075	0	7304	9976	6275	5691	2386	8782	3564	6943	20752	23907	36247	6405	6773	0	0	4623	0	3034	4964	7402	5102	4955	4384	4558	6187	0	6048	4604	2908	13013	4423	6773	12170	9100	15026	0	8598	10799	3273	5116	5590	4937	4113	8896	7184	5615	4846	0	5322	7863	Phytochemical	0.3181818	1.1363636	0.045454547
18	C22 H25 O7 N1	416.17038	416.17087	-0.110757455	416.17032	119372	109237	113568	100836	84465	63319	54935	88032	67401	266435	180328	49051	97126	56181	57233	100485	57621	86632	119067	306643	277265	141286	77567	117116	64634	308732	55008	165161	79795	62049	71698	67814	94931	69385	290978	65358	102361	47478	65062	211035	218979	63895	2660	0	0	129855	121169	0	81049	73099	110155	110452	72347	319	81074	62523	40347	100340	59409	71833	91738	140423	103393	69961	38644	76453	75514	75953	263053	378540	416259	74938	59370	56553	64628	90007	247	50091	80210	119029	62815	98143	61817	147956	79131	54485	78268	66953	63243	127080	112735	137477	145561	112101	186656	644	116373	110014	59883	56754	60979	98900	46231	105096	72269	90928	56822	0	69855	83301	Phytochemical	0.3181818	1.1363636	0.045454547
20	C22 H25 O7 N1	416.17038	416.1708	-0.11229099	416.17032	105617	86720	94713	88984	81595	61358	43633	63380	75184	239053	172527	43809	98982	54708	47706	84755	45528	93394	95332	252675	257317	152938	57858	81199	48507	276240	38782	147753	58902	54980	52026	53817	77418	59540	254807	54455	74417	33874	52923	199692	185194	56251	2357	810	0	131013	131286	0	62021	55378	93297	95093	63999	712	57460	53588	38609	68348	60716	45262	72624	114680	82032	62200	36710	79587	65951	48640	229291	324232	324077	65711	57756	46703	51709	52883	0	47542	63084	103582	48694	76470	56906	150554	63431	45906	67498	60587	57364	85617	111532	106096	121844	117624	141612	0	99041	95058	52536	52281	62589	73138	44006	80604	80479	75334	56649	1080	51175	94298	Phytochemical	0.3181818	1.1363636	0.045454547
10	C22 H25 O7 N1	416.17038	416.17093	-0.18305317	416.1703	45579	42719	36176	41583	25059	20806	18472	25977	22627	132213	70748	20195	29346	20097	18103	28818	23773	28778	34652	139923	142694	60155	22018	36296	20695	111127	18558	64674	24069	21906	21631	21820	30836	23698	154095	24902	33936	20485	30717	95042	86338	17609	0	0	0	55712	57130	0	33523	26009	43114	39133	19687	0	26283	16020	13052	36831	13071	22752	24452	46762	24572	23225	14324	22248	19872	32631	117246	171399	156932	27476	20012	20811	20320	21053	0	14738	26010	37888	20806	27258	19862	53530	23569	14244	26060	16923	14286	40478	38517	35101	46878	40771	72849	0	38806	37461	18159	17449	18961	33856	13768	37822	27934	23945	19117	0	19549	28448	Phytochemical	0.3181818	1.1363636	0.045454547
8	C22 H25 O7 N1	416.17038	416.17096	-0.17034523	416.17032	36073	36297	24619	31695	18117	16038	11021	23281	20586	94432	48025	10929	23947	11494	13191	23449	20175	19656	27904	101048	109109	43890	15976	27055	13640	72215	14563	45848	16257	14830	17081	19134	21982	17975	112376	16229	23348	13190	21102	63373	61553	10754	0	0	0	38642	48001	0	19434	18094	27561	36890	12705	0	24236	15306	9515	19558	5334	16423	19032	36940	18781	20317	9801	22409	17294	24220	73146	124210	129974	18172	17212	13656	13014	18026	0	12236	18578	26958	18046	18690	9552	39786	15926	8050	19285	13564	15195	32178	24189	23467	34867	35336	64123	0	31823	31328	13165	16516	13612	21559	12820	27676	12451	21293	13096	0	14020	21987	Phytochemical	0.3181818	1.1363636	0.045454547
12	C22 H25 O7 N1	416.17038	416.17096	-0.10196405	416.17035	51317	51839	50647	48842	27680	24422	30892	45556	34476	135985	87352	23622	31279	20666	28054	40680	44357	33787	41451	148109	157770	73646	28904	43788	28584	129578	23687	74277	35056	29882	33306	27997	42585	29553	180979	32505	37746	25204	50782	120160	132837	22526	650	0	0	73105	73505	0	37837	34493	53682	56369	27413	278	33868	22277	18074	46714	25400	45310	32258	70963	41702	30467	14982	34426	26692	44242	126949	193945	212622	36127	30940	29039	32134	29823	0	23279	36358	45502	27758	39182	24631	60379	32301	17673	36049	22431	27419	70753	50585	56462	66588	59611	82296	0	54059	61000	24653	21791	24980	39107	22492	49698	28793	37229	24495	0	32370	39176	Phytochemical	0.3181818	1.1363636	0.045454547
24	C24 H26 O4 N1 Na1	416.18323	416.1837	0.11189357	416.1833	3416	4368	3101	2459	0	1097	3586	4394	0	1339	0	11684	0	1699	5397	11412	22681	2156	0	2134	0	0	4110	1389	1648	0	3572	0	4793	11355	4384	11084	4879	7857	1970	15811	5222	7226	20762	0	0	0	0	0	0	0	0	0	5503	7482	3427	3034	0	0	0	0	0	7194	0	0	3942	0	0	0	1436	0	0	23602	0	0	1428	6487	3881	12379	49837	16049	0	7762	2209	0	4317	0	0	0	1313	0	0	2561	0	0	0	0	0	0	0	0	3679	2547	0	0	0	8625	8518	0	0	2700	0	0	3717	1843	Phytochemical	0.16666667	1.0833334	0.041666668
16	C24 H26 O4 N1 Na1	416.18323	416.1836	0.08452511	416.18326	1148688	1096304	1057612	1048772	686112	681436	828048	1027164	725680	1623876	1020152	584912	765476	431432	839036	1265706	1165452	720808	1015984	1882868	1977888	1250304	857960	1506612	824648	1757296	716168	916016	939471	526866	937080	875569	1161052	835545	1720296	1086503	1208140	630788	1322812	992796	1592756	659108	11872	0	0	1117280	1093228	0	856480	853496	1080624	1107868	709316	3224	804564	523544	512380	1237952	823624	874972	477560	927596	663084	517664	377136	805696	676860	1199580	1528932	2396676	2278788	953404	855084	824601	838123	919369	0	500004	1043748	853796	869700	825580	898632	1075172	625708	501740	1069416	749812	678892	1666888	1490120	1597276	542744	923016	1251400	2324	1104292	1061484	548452	475764	561176	1261092	552016	1130872	662868	1023476	603252	1372	1044968	804508	Phytochemical	0.16666667	1.0833334	0.041666668
10	C19 H29 O9 N1	416.1915	416.19205	-0.19375646	416.19144	100289	92330	95853	86581	52181	44914	79443	152700	69480	94428	66053	81388	100687	34607	110508	122327	100950	90310	101420	164127	148735	103296	112731	160681	89321	102927	61411	56482	134258	131105	100341	107938	106893	89550	109444	144660	100569	83944	88468	108289	78418	70889	3585	0	0	119951	111997	0	106910	137257	104727	96865	50490	942	112179	72373	43628	101964	126284	83920	140007	69828	78725	68636	36463	64283	54113	87226	107106	96534	92005	105499	96114	142511	78248	103728	0	79172	104629	61634	90272	72975	87796	48395	90914	58897	77801	45912	60602	78132	67410	98980	149855	56924	88959	1395	89858	136584	51199	67721	77735	121546	78965	173074	93541	80801	67674	0	78332	88251	Lipid	0.47368422	1.5263158	0.05263158
16	C19 H29 O9 N1	416.1915	416.19202	-0.120306544	416.19147	545623	519280	560823	555996	394667	407262	375634	852192	506882	764012	396236	411153	768765	224255	708145	695240	427831	851180	913055	1128486	941720	517113	777618	865515	576420	594255	313281	346705	789072	724887	602841	631758	680284	525350	863423	748549	688598	485281	358809	614181	337688	477378	12361	2630	2010	641334	419587	1519	645330	765252	546981	582154	426939	3401	966564	486983	311726	601612	572248	301663	774511	429413	635921	595981	261626	517771	433408	308460	542322	816383	492942	686936	643162	816147	445628	562651	765	489136	514103	314085	430730	341583	431230	379532	520595	379651	431225	342595	421403	338188	424271	589601	934196	303843	504983	5953	553034	711021	368596	301118	425600	750745	392966	705049	324546	595436	451731	2163	407629	639202	Lipid	0.47368422	1.5263158	0.05263158
26	C19 H29 O9 N1	416.1915	416.19193	-0.1283056	416.19147	9423	5570	7207	7664	4412	7396	2778	6852	4266	11790	5103	5492	14192	3546	7860	8815	6459	12905	8677	14750	20083	4894	5607	9240	0	7685	4192	4278	6735	0	7654	5368	6688	7091	17130	6844	7281	5863	5746	6752	7019	0	0	0	0	8771	0	0	9801	10126	8120	7932	3718	0	13718	0	0	4837	4716	5190	10057	6334	9394	7937	3334	6075	4652	4959	6274	17739	12366	11184	10076	8714	9670	7505	0	5148	6778	0	4498	4664	4892	4387	6689	0	3866	4130	4054	3152	3547	6370	7967	0	0	0	8226	10231	0	4844	5748	6311	4973	5378	0	5289	5525	0	4698	9992	Lipid	0.47368422	1.5263158	0.05263158
18	C19 H29 O9 N1	416.1915	416.192	-0.107723154	416.19147	522577	459985	493259	454850	370169	368748	282710	746261	460945	774430	331802	307539	748101	223288	555106	532622	290067	830877	831275	993241	808793	481616	575360	681285	419543	447542	237075	290291	700128	560204	507921	488408	595316	523118	752613	615076	625993	376736	246060	605776	276592	372462	14217	1591	1235	551355	335230	1184	514680	560497	485397	458417	363888	2828	1049964	392564	256215	486442	488648	207004	581488	438638	617627	564027	211328	447773	371164	248186	399511	739882	412325	552608	474492	651083	331573	501513	904	397485	409712	235311	377678	266538	311206	334375	422976	344808	325518	267504	352093	212944	424985	559162	708299	215472	441542	3389	490387	600167	315905	273773	338109	630697	332126	638080	254424	413577	331971	1936	296193	613473	Lipid	0.47368422	1.5263158	0.05263158
4	C19 H29 O9 N1	416.1915	416.1922	-0.18890874	416.19144	15184	14378	17056	13026	10424	11382	9718	23448	14868	16424	7978	12080	19974	3736	22944	18213	16146	18389	16536	21594	19642	22892	12272	18828	12256	8208	8930	6818	19708	20195	15752	20238	23584	14808	25020	20210	24816	15108	16288	16496	14248	10320	0	0	0	18696	13884	0	18036	16226	15631	14062	8382	0	39996	9715	5672	19617	21352	8866	20190	9444	18163	12759	5524	13172	10876	12426	11088	8564	9240	15396	15738	23336	7065	15214	0	13256	12522	0	9872	8688	10938	6358	11828	8588	9942	7242	11114	12736	18660	22442	60607	9690	12710	0	15154	17832	6642	14344	12472	20462	12916	28118	10876	15624	9522	0	8746	43092	Lipid	0.47368422	1.5263158	0.05263158
4	C18 H29 O8 N3	416.20273	416.20346	-0.08443959	416.2027	6254	5415	4918	4214	2918	4288	3580	8307	4586	1812	0	3064	6066	2617	7243	6190	6042	5760	5660	2628	1570	7521	7000	7385	6181	315	5649	0	7958	12085	6611	10394	9246	6685	3793	11689	10105	5715	7204	1020	955	2969	0	0	0	3673	1281	0	8864	6960	5700	5174	3690	0	7971	2811	2071	8335	4039	1720	7093	0	6455	5560	1668	5971	3770	5108	0	0	0	7317	5471	11421	0	5569	0	5487	3725	4394	4023	1418	2171	551	5117	4382	4777	2608	5103	8433	31221	24623	12921	1830	1554	0	4902	8475	2467	3037	3416	8134	5450	4955	0	8026	3600	0	3766	5888	Peptide	0.44444445	1.6111112	0.16666667
8	C18 H29 O8 N3	416.20273	416.20334	-0.005322547	416.20273	9591	9678	8219	10220	3342	4109	7319	14069	3470	2458	1434	4664	6725	1588	11584	12196	2586	4478	8318	3314	0	7581	8338	41411	9433	672	5410	4754	10885	6843	9247	11086	11653	10735	3802	9670	9628	8017	6428	2885	747	1317	0	0	0	11197	0	0	11261	7192	6284	6869	4563	0	8373	1782	2719	13681	4163	1092	13486	1858	4351	5058	2055	7074	3873	3703	0	0	0	7993	8691	7051	3308	4935	0	5351	5140	0	3774	1548	3410	1083	2720	0	6158	3545	3706	9759	94145	75351	19853	1492	2593	0	7334	7669	1446	2906	3943	8919	4758	6265	0	11422	3190	0	6460	6598	Peptide	0.44444445	1.6111112	0.16666667
12	C18 H29 O8 N3	416.20273	416.20328	0.122722715	416.2028	2716	0	2092	3550	0	1658	0	3265	1006	0	0	1385	0	0	3541	2192	0	0	3136	0	0	0	2620	4730	2919	0	0	0	4935	1737	3717	2520	5113	2541	2348	2255	3104	2799	0	0	0	0	0	0	0	0	0	0	2700	1843	2693	2326	981	0	0	0	1163	5033	0	0	0	0	0	0	0	0	2624	0	0	0	0	2929	2860	1851	1136	2862	0	2491	0	0	2490	0	1099	0	0	845	3598	1080	1624	0	46916	29052	5728	0	0	0	2813	4498	0	0	989	2199	0	0	0	4726	0	0	1325	1481	Peptide	0.44444445	1.6111112	0.16666667
14	C18 H29 O8 N3	416.20273	416.20306	0.13593017	416.2028	2694	1717	2943	1891	0	0	0	3652	0	0	0	0	0	0	1996	0	0	0	0	0	0	0	0	0	2311	0	1210	11268	0	3090	1578	0	2108	1800	0	0	2239	0	1629	0	0	1250	0	0	0	0	0	0	0	0	0	0	0	0	0	885	0	2884	0	0	0	0	0	0	1043	0	1122	0	0	0	0	1889	1406	1455	1426	1265	0	898	1621	0	0	0	0	0	0	0	2537	0	1204	0	26370	8073	3959	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1130	0	Peptide	0.44444445	1.6111112	0.16666667
6	C18 H29 O8 N3	416.20273	416.2034	-0.07227645	416.2027	10507	11869	11370	10216	4691	6238	6659	16639	9124	4023	1800	4823	9092	2523	13572	13525	5087	6163	9798	4623	2855	11186	10686	23143	9110	0	6892	12185	15179	12710	12283	14607	14765	11791	7943	13920	15489	9000	9107	2445	2010	4679	0	0	0	6116	0	0	12345	11645	11730	10931	7096	0	9960	2589	2223	20909	4719	1930	19758	0	7643	6924	2313	7498	5341	7314	0	1391	0	11052	9483	13999	6377	11193	0	8174	6403	5407	5664	1452	3594	1052	3619	4773	6715	6582	6782	10375	64479	56616	24557	3262	3556	0	10435	10508	3319	1805	3501	14905	8457	6205	0	12553	5424	0	5308	10359	Peptide	0.44444445	1.6111112	0.16666667
10	C18 H29 O8 N3	416.20273	416.20337	0.07904982	416.2028	4644	3756	4181	3270	1683	2026	4982	5337	1883	2209	1280	2333	2585	0	7017	7174	3518	5162	3118	2106	2183	4931	4916	8738	7188	0	2728	7397	6781	4916	5861	8627	9342	5614	1977	7138	7600	4749	3377	1499	0	1282	0	0	0	0	0	0	7668	3582	4679	6529	1389	0	2905	0	654	9255	2548	0	0	0	3403	2993	958	2454	1273	4657	0	2442	0	5077	4277	5118	2414	5176	0	2353	5069	0	1793	1354	1988	0	0	1602	6474	1971	2121	6769	69732	36077	13982	2306	2534	0	6569	3929	1226	0	909	5892	2639	0	0	8145	1493	0	5162	3110	Peptide	0.44444445	1.6111112	0.16666667
22	C23 H29 O6 N1	416.20676	416.2072	-0.08949833	416.20673	99610	99010	92097	100552	82563	63632	48560	95567	63205	135628	119458	61857	60677	49572	61637	116351	101871	71669	97192	186982	202457	119798	74928	121141	76907	259928	44693	114674	87109	80270	79666	94468	108098	106867	145630	93202	105858	49783	97607	155741	165253	63038	0	0	513	105006	111847	0	101597	78987	102664	99855	71433	900	57808	52575	41935	110872	57998	71609	126375	99263	71414	54141	39640	71437	72861	106656	212723	280341	291317	87712	84832	72775	74074	85045	268	55682	83657	75257	66625	65845	57869	99224	62960	44339	93095	69716	71088	149888	102567	114223	161974	97944	112564	0	97693	89710	52112	58358	52195	121280	53254	110479	67797	119930	54703	0	78572	77348	Phytochemical	0.26086956	1.2608696	0.04347826
6	C23 H29 O6 N1	416.20676	416.2074	-0.15475175	416.2067	16454	18754	19255	18565	4365	5446	11736	25859	4578	29225	15270	12651	2243	3943	15205	24207	14646	6488	9504	36009	45058	16262	12764	32193	10802	26025	10708	12082	21538	23448	22092	24691	23925	18264	29388	21485	23288	10762	19187	23629	15802	8749	0	0	0	19773	19680	0	25522	25029	18712	16498	6011	0	8355	1681	5482	24775	0	3258	21288	12403	4644	5664	3171	5629	8211	25238	18167	30088	31167	20374	17687	25014	18774	21433	0	13503	11765	9973	10814	4953	4185	15358	3551	5649	11119	8284	9389	21353	13009	10987	29665	14932	28669	0	16494	22003	4104	1597	2214	26966	11378	25202	7403	18391	2417	0	13442	3191	Phytochemical	0.26086956	1.2608696	0.04347826
28	C23 H29 O6 N1	416.20676	416.2072	-0.114687726	416.20673	12361	11873	13120	11782	6878	4598	8190	16967	4420	5845	6416	6093	3714	4769	9204	29313	21143	4986	12538	5912	5138	12475	15291	29069	12669	8025	7090	7849	14118	15787	14706	17614	20951	12073	5055	17613	10627	7618	19646	6152	10907	6845	0	0	0	5316	6345	0	15793	13806	11962	13648	7066	0	5620	2555	3779	24397	5102	7678	30120	3570	7200	6202	4900	5981	10873	25165	9970	10163	14593	10380	8848	14435	14555	11161	0	8944	17776	10618	10254	3186	6136	2823	6047	3773	24309	10774	11226	55810	13826	13247	36730	4899	6494	0	12491	11567	3223	6421	5890	19418	7649	11236	0	33900	3798	0	13113	5902	Phytochemical	0.26086956	1.2608696	0.04347826
12	C23 H29 O6 N1	416.20676	416.20737	0.015711164	416.20676	27184	28046	29294	32427	13468	9020	16524	33750	9556	69825	42654	13955	7701	8423	19315	28728	27590	13659	20669	100315	100760	35784	20553	33545	20968	78365	18723	46044	30277	22967	25049	24550	37981	24381	102166	23628	28654	18199	31149	54644	51320	12966	815	0	0	31130	37702	780	28399	23394	24745	33265	10957	0	15355	9051	6542	25361	0	19971	22060	25425	12675	9563	5868	16906	14480	36048	49227	120124	104149	23092	20082	18953	18085	19023	0	17383	19825	22102	13941	8595	7532	36756	10830	6057	26361	11697	14671	58294	30702	20286	45073	23811	40734	0	29819	24958	10954	8579	11182	24292	12222	17997	0	27245	9855	0	17080	13036	Phytochemical	0.26086956	1.2608696	0.04347826
24	C23 H29 O6 N1	416.20676	416.20715	-0.10148393	416.20673	54945	58757	50865	52949	48765	33755	25525	49641	36052	84353	81137	32242	53405	23844	31041	78175	45002	48867	60823	98684	100641	58191	47270	75830	37923	132982	20601	69843	45951	43720	37104	44950	54776	43024	81193	45413	59051	27515	43681	80913	80932	32701	2125	0	0	54139	51897	0	49124	41867	56554	54174	36788	0	37828	32450	22963	58744	34775	29573	64133	55157	40452	30825	18928	42398	40126	53931	125279	141342	155097	45934	41116	33614	34956	35986	0	34295	48916	41234	39198	36774	28649	56501	37757	26570	54485	33276	40019	101427	57488	68721	108405	55375	63043	0	52937	51377	22201	32501	33168	68244	30796	55224	37012	66726	37401	0	39512	50031	Phytochemical	0.26086956	1.2608696	0.04347826
8	C23 H29 O6 N1	416.20676	416.20737	-0.15740952	416.2067	31642	33694	24300	34746	9787	11018	18762	40505	8945	55912	32202	20374	7804	8223	23802	37676	24680	9573	17248	81125	72511	33819	19492	34650	18176	48490	16121	35145	28320	30875	27270	35761	32996	28380	64536	36248	32736	18174	32470	51485	30111	10905	0	0	0	32073	30224	0	40330	34085	29361	25557	9125	0	12064	4492	6639	30567	0	6611	35779	23505	6972	9144	6588	11677	14592	31586	39324	70931	65919	35540	26804	31759	27508	34211	0	21422	20570	25914	17801	8248	5323	33629	8057	7163	17502	10759	15890	37855	27123	16009	49271	26986	49455	0	29351	28232	6767	6506	4828	38537	18087	38260	8849	31397	5136	0	18456	8174	Phytochemical	0.26086956	1.2608696	0.04347826
26	C23 H29 O6 N1	416.20676	416.20724	-0.11506876	416.20673	22213	19973	19953	15585	18039	8615	7670	18412	13458	21612	24811	12896	20035	10809	14237	33412	24010	10148	26749	23893	25639	19747	12058	35392	16623	34737	6029	20984	10516	17518	14065	13299	22057	14871	21463	15558	21006	12476	23962	22872	27596	12250	0	0	0	15713	18816	0	19689	14491	18139	17737	14566	0	12240	7581	9761	27162	10705	10263	28471	16262	10944	16067	5964	18976	13869	26885	40740	38739	55591	18295	12052	14171	23519	14734	0	10188	23351	10955	17606	10877	11127	15384	11480	0	28394	17035	12728	52732	18054	19114	51646	16170	20395	0	16956	18982	9516	20290	15496	21547	8446	15147	7872	29576	12217	0	17244	12645	Phytochemical	0.26086956	1.2608696	0.04347826
10	C23 H29 O6 N1	416.20676	416.2073	-0.20622545	416.20667	47564	40606	38873	40293	13983	17235	32111	52276	12137	80208	45682	35966	12227	10145	25359	42245	44894	17676	26974	110056	107688	44974	34090	49197	28523	85052	26763	44103	38476	46193	38353	45686	52150	40454	92763	44596	53773	26845	46041	66699	47498	17261	0	0	0	41561	42317	0	49640	43358	42325	44179	14639	0	11989	5271	8947	45145	2484	11128	41633	26290	10531	12681	10951	16239	18157	58531	61028	107856	99629	42479	38290	45462	43418	39164	0	26983	31224	29586	27292	12185	9183	36521	9224	12116	27200	18644	22803	58659	43169	15226	61456	32674	59280	0	44746	41709	11142	6747	7307	45330	27778	41124	14741	42448	6766	0	28863	12629	Phytochemical	0.26086956	1.2608696	0.04347826
14	C23 H29 O6 N1	416.20676	416.20728	-0.16006315	416.2067	38348	35336	37759	39704	13676	18329	24223	31700	15981	63174	62265	20116	12781	13546	21404	45107	39200	18220	32678	98563	92583	54385	22355	43085	24755	97920	28315	57034	27729	31732	26888	31168	41662	26876	87032	30093	34066	22831	40720	66273	60840	27187	0	0	0	40059	38566	0	32417	34520	44200	34889	17664	0	14757	12487	14011	36641	6335	32335	32885	31075	13925	18046	12806	15432	24109	44458	77205	123844	123856	31478	26393	30258	32336	33555	0	19770	35440	27049	21127	17149	22591	38327	17317	12358	30457	21740	20746	72380	55199	31384	63896	31783	59400	0	36044	33668	14990	16725	13157	40092	22973	37214	18229	40237	14376	0	27379	14541	Phytochemical	0.26086956	1.2608696	0.04347826
2	C17 H29 O7 N5	416.214	416.2148	0.031778183	416.214	1510	1282	0	1340	0	0	0	644	0	0	0	784	719	889	661	0	1938	529	511	0	330	998	927	670	658	0	0	7589	1319	441	944	969	1390	786	0	551	811	1032	1546	0	0	0	0	0	0	0	0	0	677	637	1136	982	536	0	467	0	0	1414	430	364	0	0	392	780	0	680	0	1999	0	0	0	910	602	723	0	797	0	668	1602	34776	982	0	0	0	339	0	1829	626	837	2676	15926	9765	2066	2811	0	0	1925	1730	0	0	409	637	1111	0	317	1834	512	0	1153	546	Peptide	0.4117647	1.7058823	0.29411766
0	C17 H29 O7 N5	416.214	416.21466	-0.11582226	416.21393	0	0	1673	0	0	22593	0	1512	742	0	0	0	0	0	0	0	1086	2675	0	0	0	0	0	0	0	0	0	6643	1959	0	0	0	1104	2678	0	0	1563	695	1372	0	0	4973	0	0	0	0	0	0	0	0	0	0	0	0	692	0	0	1938	0	0	0	0	0	0	0	1556	2029	1177	0	0	0	1459	2302	0	0	0	0	0	0	16490	0	0	0	0	0	0	850	1414	1669	1844	10678	3220	1784	1449	0	0	0	0	0	0	0	0	0	0	0	1372	861	0	0	2023	Peptide	0.4117647	1.7058823	0.29411766
8	C17 H29 O7 N5	416.214	416.21463	0.19455875	416.21405	1569	1372	2420	1116	796	6326	1012	1489	0	0	3934	947	0	0	2462	3693	0	0	0	0	0	4829	0	1790	0	0	1809	18086	3605	0	1293	1142	2247	0	0	2020	0	1326	805	0	0	0	0	0	0	0	0	0	3995	1550	1270	0	0	0	0	0	602	1897	0	0	0	0	0	0	0	0	726	0	0	0	0	1618	1016	1033	0	1456	0	944	0	15558	1168	678	607	0	0	0	1522	0	0	8592	53234	0	2774	0	0	0	1853	1347	0	0	0	0	0	0	0	2700	0	0	843	0	Peptide	0.4117647	1.7058823	0.29411766
24	C20 H33 O8 N1	416.2279	416.22827	-0.22600114	416.2278	25380	22935	27800	20701	23766	23275	14336	25936	30613	39243	13195	12470	55803	20236	25410	23210	9375	48540	41942	34322	21344	21079	21582	29098	19438	9258	10968	10586	31407	22007	22922	23387	31182	25754	38037	28262	39500	15486	10877	18733	10644	13805	0	0	0	22007	8175	0	26477	24882	20020	23578	20115	0	49659	28241	13261	24583	19559	7289	29628	17530	45362	34104	12925	41252	22615	11975	5502	29332	10417	24687	26839	29680	15648	16944	0	21354	20361	7527	16900	10773	14557	11905	21805	15643	16448	14282	17112	10498	36064	31022	33718	9586	22753	0	28525	22840	13330	26298	28185	27485	14383	25095	10182	18613	16128	0	16582	48253	Lipid	0.4	1.65	0.05
6	C20 H33 O8 N1	416.2279	416.22858	-0.061822914	416.22787	12091	18104	10625	9888	3557	3712	221553	12953	4510	11757	85493	28360	4181	4133	21271	25594	51564	4958	5709	11583	10048	8834	14287	9683	51228	199900	159015	329641	11433	10513	10467	9549	13699	8533	8582	10255	10191	60825	31729	4620	4077	3739	0	0	0	5385	37440	0	10787	9063	21324	13286	4106	0	6123	5472	10214	15415	3765	1355	15539	126535	5314	4119	503146	3780	5451	22975	444489	100502	135894	8631	6853	12028	48944	8052	0	7573	14313	546793	6865	53293	10368	9845	3514	4010	8982	5651	3995	29862	0	17275	70735	36854	13899	0	27386	29889	4785	2701	3412	12756	10462	9378	118933	6807	3015	0	29881	7134	Lipid	0.4	1.65	0.05
22	C20 H33 O8 N1	416.2279	416.2283	-0.20235859	416.2278	105303	103087	97410	107372	89618	106308	74712	137952	114168	150044	53281	62853	158251	97387	115660	98239	57434	174860	164654	140942	108057	95686	98929	125574	111641	45047	59803	48182	167521	113585	116567	129621	152592	111420	145423	143191	169160	83524	53004	96258	30569	81297	2832	0	432	87196	40170	0	123123	95538	104947	96498	84737	388	206990	97017	61316	106500	99117	26706	112691	60956	147435	131192	63388	128633	93150	62548	33243	108924	46563	109329	112519	127424	55946	107375	321	97773	78766	47700	74745	41168	83691	44069	81838	80956	74685	77279	86722	47653	125076	162777	129735	50785	82876	0	103663	120077	62707	78898	88357	148687	71368	124043	55925	97694	69888	0	64762	171074	Lipid	0.4	1.65	0.05
18	C24 H33 O5 N1	416.24316	416.2436	-0.17788517	416.24307	18164	13674	16094	19060	6746	5601	17050	26338	3184	16185	15567	11072	2950	6760	13862	29734	30587	4070	11881	19985	20402	12582	13947	23311	16868	35135	20410	18300	18214	24860	19985	29398	24803	14966	14020	19442	23478	10540	34747	17793	19134	9123	0	0	0	7390	8352	0	22127	23289	15699	14744	5401	0	6120	4140	4573	23538	4356	18639	20808	6077	4071	3601	4431	6968	9392	32043	25378	27230	45795	18264	20981	22659	24144	22006	0	10320	13173	11015	10339	4274	5515	11389	6385	6037	16537	8659	9078	69873	24879	12984	38929	7427	17263	519	14184	13210	4220	3911	5941	24451	9411	16221	6131	23721	4555	0	19460	3356	Lipid	0.20833333	1.375	0.041666668
14	C24 H33 O5 N1	416.24316	416.24368	-0.09435885	416.2431	6393	9942	7059	6762	3308	3399	6413	19066	2092	12105	14518	6951	1429	3041	6847	12652	10031	5276	3697	27642	23801	5858	6151	11969	9447	21407	6471	15820	14398	11272	13324	12740	16808	14046	19763	15539	20636	6428	10792	13017	3381	4368	0	0	0	3540	4522	0	12116	11619	7317	5858	2848	0	2254	0	1733	14647	0	0	0	5219	0	2187	1573	1263	5130	14364	18426	29083	26448	11598	12409	11718	12949	12299	0	5655	4593	0	3653	0	1975	8653	0	3039	6717	3180	4334	19900	21700	2526	23530	6562	15148	0	6690	8470	1999	0	0	18688	4247	6465	0	19530	1681	0	4650	2301	Lipid	0.20833333	1.375	0.041666668
12	C24 H33 O5 N1	416.24316	416.24368	-0.10781749	416.2431	20358	18201	15165	19380	3173	6104	11549	38560	2101	17994	10404	16725	1239	2930	16803	33587	19114	3411	7641	47229	32067	11731	18620	61990	25184	20136	10788	11751	30282	27796	29054	27448	41716	23661	39002	30845	32414	13443	17728	22555	6335	6151	0	0	326	11312	7227	0	29367	28755	14216	15317	4230	0	2594	0	3555	29651	0	0	26670	4512	0	1531	1860	4355	8328	41930	0	30064	21756	26306	24681	25502	24129	24897	0	21421	9268	0	11619	0	0	18158	1802	2520	9840	7141	8706	49468	20826	1960	54604	11690	22812	0	15936	16749	2150	1715	1574	26038	16580	18698	0	38690	1340	0	8996	1951	Lipid	0.20833333	1.375	0.041666668
10	C24 H33 O5 N1	416.24316	416.24374	-0.12605557	416.2431	18768	17994	17201	19863	2192	5939	12572	31564	1754	27881	13692	16041	1081	1925	19470	35490	23080	4733	4955	33823	28257	7800	12297	29723	22093	19760	16605	16636	33803	31672	30656	34627	47403	34276	29369	38323	52745	19891	15499	21001	3323	9449	0	0	0	12054	8171	0	35978	30443	21400	16303	4344	0	2177	926	4986	34355	0	0	25994	4464	1542	1968	3998	2212	9621	29687	11809	28607	19453	30605	34534	38836	24898	29251	0	20766	7236	7349	10826	765	0	12612	1552	2562	5668	6558	9017	29881	19834	1786	36011	10919	25717	0	22586	18273	0	0	1234	38517	20090	20200	0	44258	1277	0	10261	2169	Lipid	0.20833333	1.375	0.041666668
26	C24 H33 O5 N1	416.24316	416.2436	-0.1823999	416.24307	30421	24882	28607	27219	29727	17773	14246	33054	21039	24887	40422	15034	29668	25010	27477	37449	24811	18683	25498	42668	53621	29866	21227	36641	58904	75134	11303	42307	32073	32940	32191	35088	33479	29464	36076	38215	37839	23349	23968	41647	37811	16686	0	0	0	31601	26478	0	32028	30578	26713	26427	24342	0	22849	20979	16687	40769	20840	17379	44434	24550	17806	16357	9387	22919	22873	27940	76064	59361	64235	26703	18967	26325	13822	25087	0	19415	47950	27415	28187	22846	21112	30585	26905	13518	87563	20712	21358	48687	36928	48321	60032	30269	21906	0	32529	33651	21902	24517	30197	38136	15405	26689	17945	42377	26966	0	42884	19512	Lipid	0.20833333	1.375	0.041666668
8	C24 H33 O5 N1	416.24316	416.24374	-0.16699225	416.24307	12122	15878	11146	13957	1082	4184	9248	23849	741	13289	9513	12694	995	0	12369	26464	12619	2159	4597	23438	16457	7845	12150	22958	14547	7671	11690	6766	20683	18077	17164	21008	25362	18458	13959	20493	28139	8697	12432	10868	3530	6780	0	0	0	11041	6754	0	26343	19725	12207	12201	2228	0	848	0	2846	22115	0	0	22594	4373	0	1731	4113	1914	5653	18314	5402	12832	10021	18513	19232	23149	18582	17898	0	12625	9571	8276	6310	0	553	8431	679	0	6671	4036	7612	24615	23028	0	32205	7835	15867	0	10501	12339	0	0	0	23946	9614	15853	0	26711	0	0	7671	1048	Lipid	0.20833333	1.375	0.041666668
20	C24 H33 O5 N1	416.24316	416.24356	-0.21196307	416.24307	28861	36318	39652	27553	16969	9854	21610	30264	14880	30515	27691	22756	11012	15309	21771	55050	46166	9297	26392	45178	42870	32229	18360	40911	28537	67510	24643	35230	27877	32915	27452	35103	33444	28804	33062	34861	30257	20182	50605	32702	48654	17658	478	0	0	20782	26777	0	41875	29992	31294	32894	17855	0	9798	10327	9328	36931	18837	28151	36471	16674	7110	9103	11571	11628	17439	53935	46730	56208	74454	26155	30957	28830	43085	28413	0	18353	27828	33535	18555	8940	23907	24116	10851	11408	29509	23956	18520	84739	46025	31456	72835	22967	37129	0	22548	38357	9251	10312	9990	40236	20748	41971	15276	47939	13867	0	27652	12986	Lipid	0.20833333	1.375	0.041666668
16	C24 H33 O5 N1	416.24316	416.24356	-0.16852842	416.24307	9840	13269	8618	11804	2115	3923	7037	7083	1787	13468	10899	5934	0	3085	5500	17006	14485	0	4476	26216	22040	7591	3578	12623	8018	24118	6127	11081	9095	14531	12765	14836	10009	12795	16858	9757	14569	4401	16275	10579	6435	4227	662	0	0	5206	2115	0	17425	9840	6688	8800	3039	0	0	0	1916	16375	0	3610	12879	3081	0	0	1953	3919	4497	17781	16531	22025	23588	6260	8904	10075	14527	8614	0	7004	5405	4498	3755	1068	1661	11394	2446	3081	9259	3460	5937	35614	21147	4450	0	5451	12991	0	11333	7144	2010	1563	1486	11843	7838	5540	0	12330	1960	0	6421	0	Lipid	0.20833333	1.375	0.041666668
10	C21 H37 O5 N1 S1	416.24652	416.24738	0.12393963	416.24658	0	0	0	0	0	1019	2870	2190	0	4013	9619	975	0	0	0	1645	1163	0	0	3817	0	0	1242	1346	1335	0	5137	17789	1925	1155	0	2107	0	0	0	1386	1265	0	0	1296	2229	1726	3834	1452	1495	3435	2900	960	0	3198	0	0	0	1481	0	0	0	3575	2716	2583	15095	3834	7102	0	0	0	0	1435	9325	4920	3208	1610	2428	986	0	0	1956	1002	0	32986	870	852	3881	0	0	0	927	0	0	2035	7858	0	0	4565	1814	1330	0	0	1406	0	0	0	1290	3629	16520	1468	0	1379	0	2446	Organosulfur	0.23809524	1.7619047	0.04761905
10	C17 H37 O10 N1	416.24902	416.2496	-0.13966519	416.24896	0	0	0	0	0	1019	2870	0	0	4013	9619	975	0	0	0	0	0	0	0	3817	0	0	0	0	0	0	5137	17789	0	0	0	0	0	0	0	0	0	0	0	1296	2229	1726	3834	1452	1495	3435	2900	960	0	1102	0	0	0	1481	0	0	0	2002	2716	2583	15095	3834	7102	0	0	0	0	0	9325	4920	3208	0	0	0	0	0	1956	0	0	32986	0	852	3881	0	0	0	927	0	0	2035	7858	0	0	4565	1814	1330	0	0	1406	0	0	0	1290	3629	16520	0	0	1379	0	2446	Lipid	0.5882353	2.1764705	0.05882353
12	C17 H37 O10 N1	416.24902	416.2496	-0.104801364	416.249	398690	504950	399033	352534	51887	56144	133982	30063	51453	148886	894998	16983	65528	85329	30621	30810	32451	31833	30394	120128	39793	101985	26153	49024	35249	49835	95055	1958918	26041	28064	17799	15457	20635	13382	40481	23315	15386	32872	16179	754005	351444	41226	0	16612	32251	730315	466597	36402	14016	30552	454226	445333	26274	51721	45702	22715	79911	48805	3140640	78736	966329	1860263	192008	34557	98093	183410	207043	21979	507244	232817	310993	19519	13666	26041	12210	14455	50509	13451	20757	1293706	25565	100391	52561	33803	38843	93587	18192	32892	24821	31005	162460	205190	64714	517274	156425	21489	383255	519713	65227	22163	36396	29453	17362	212474	31466838	19777	47879	39772	22698	55320	Lipid	0.5882353	2.1764705	0.05882353
8	C18 H33 O6 N5	416.25037	416.25092	-0.04742252	416.25034	1754	0	1158	1539	0	0	0	0	0	0	1486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15422	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1839	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	275522	0	0	0	0	0	0	0	0	0	0	77322	15696	0	7294	0	0	953	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8333334	0.2777778
6	C18 H33 O6 N5	416.25037	416.2509	0.003780524	416.25037	4326	4612	4609	4283	0	2428	0	0	0	0	1780	0	0	0	0	0	0	0	0	0	583	0	0	0	0	0	573	53273	0	0	0	0	1090	0	0	0	0	0	0	0	0	542	0	0	0	0	0	0	0	0	3876	3642	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	643	0	0	0	0	0	0	0	618971	0	0	0	0	0	0	0	0	0	1225	261803	58077	0	29194	2351	0	3866	2564	1305	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8333334	0.2777778
2	C18 H33 O6 N5	416.25037	416.25098	0.07183002	416.2504	767	988	0	564	0	0	0	0	0	0	925	0	0	441	508	0	768	418	0	0	0	0	0	0	0	0	0	93656	0	0	530	0	1825	0	0	0	971	308	1208	0	0	0	0	0	0	0	0	0	0	0	1159	697	499	0	0	0	0	610	0	0	0	0	0	0	0	1646	0	630	0	0	0	0	0	0	0	0	0	421	0	146845	0	0	0	0	0	452	709	0	0	1249	16855	15273	0	7918	0	0	512	1075	0	0	247	0	662	0	0	0	223	0	420	0	Peptide	0.33333334	1.8333334	0.2777778
4	C18 H33 O6 N5	416.25037	416.25107	0.07288053	416.2504	1712	2071	1521	1046	0	2791	0	0	0	0	1701	0	0	0	241	896	0	349	0	0	0	0	0	0	526	0	0	43589	0	0	0	0	0	0	0	0	487	648	1289	0	0	0	0	0	0	0	0	0	0	0	1307	0	344	0	0	0	0	381	0	0	0	0	0	0	0	1123	0	0	0	0	0	0	0	0	0	0	0	0	0	153859	0	0	0	0	0	0	712	0	0	0	124756	42998	0	9148	1449	0	1839	1207	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8333334	0.2777778
0	C25 H37 O2 N1 S1	416.26178	416.262	-0.49397823	416.26157	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22358	0	0	0	0	618	0	0	0	0	0	0	0	0	1437	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52546	0	0	0	0	0	0	0	0	0	0	30131	4004	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.08	1.48	0.04
26	C21 H37 O7 N1	416.26428	416.2645	-0.17567627	416.2642	3647	3152	4307	3890	2604	3170	6939	0	2860	2960	0	0	5481	7057	0	0	0	5147	6076	0	0	0	0	0	0	0	2921	10601	5836	0	5133	5842	7838	5614	2118	5222	9607	0	0	1978	0	0	0	0	0	0	0	0	6840	0	2342	3453	0	0	4364	0	0	4978	5624	0	0	2491	3368	3628	0	7988	7082	0	0	1835	0	2637	4441	0	0	3697	0	2924	0	0	0	0	4369	0	0	0	3875	0	4351	2027	25717	22803	3962	0	0	0	3296	0	0	1982	0	5381	0	0	16947	3639	0	0	0	3072	Lipid	0.33333334	1.7619047	0.04761905
18	C21 H37 O7 N1	416.26428	416.2647	-0.14792618	416.26422	20025	7326	15675	10914	4881	0	80205	23484	3882	0	0	10458	8892	11649	15024	24081	30414	0	21828	5613	0	6528	12027	12873	14589	19440	68493	10620	21513	23313	19233	24069	25482	22890	0	30798	20859	10809	24846	0	0	14007	3774	0	0	5976	0	1263	25323	17049	10605	8478	7641	0	11943	11142	7923	19191	7567	6312	31929	0	6240	7770	17982	7968	16530	17745	3063	0	4965	8463	19398	20199	27669	0	0	11316	12852	6291	5928	0	113058	71406	17304	9090	16515	8430	17397	13377	24759	27066	17934	0	4719	0	14931	25893	7302	9243	17103	51717	9267	14460	2097	13398	10038	1629	11145	0	Lipid	0.33333334	1.7619047	0.04761905
24	C21 H37 O7 N1	416.26428	416.26465	-0.26155326	416.26416	17463	14456	17761	13822	17063	16134	70427	18789	16363	17782	9488	3432	29967	19421	15209	13253	3930	29971	32295	11404	5416	8125	8566	10599	12550	5295	42119	24217	20865	14031	13981	20844	25774	17115	14661	22760	30398	11675	5185	5775	2500	10005	3500	0	0	9326	2029	0	22634	12181	18752	18928	17120	0	31416	10518	6359	19844	17419	3185	18299	7652	30872	16329	16752	44176	31692	6147	1857	2160	2025	13688	15927	16902	6852	17727	0	9762	8793	18708	6552	7044	34754	17469	14127	14878	10812	9970	16926	4024	67902	56127	25248	8246	9022	0	17720	15581	8444	12807	14014	19116	7846	16875	35047	17274	10237	0	8149	27355	Lipid	0.33333334	1.7619047	0.04761905
22	C21 H37 O7 N1	416.26428	416.26468	-0.19838499	416.2642	18454	18136	20020	20688	17189	11662	146629	17861	15173	10923	7221	8941	26736	26655	16463	18631	13028	35524	37730	10010	4977	8714	11582	12132	21335	16410	97730	14209	26272	18664	13771	18418	29824	16467	8540	26099	29538	14784	14109	6739	4991	13845	8198	0	0	4338	5707	0	20394	13344	18883	19733	16050	1606	33229	17112	9900	19663	12484	7347	23109	5146	26785	19990	22317	44738	45290	11355	3067	5050	4132	16079	14479	20393	13870	19966	0	13774	15195	14731	7547	7241	104377	63454	19821	17944	16702	14265	15292	4159	47446	39588	15637	6222	10365	0	22290	20944	13417	12837	22394	35155	10659	13590	26781	16378	15854	0	13663	24161	Lipid	0.33333334	1.7619047	0.04761905
20	C21 H37 O7 N1	416.26428	416.26474	-0.122461244	416.26422	10939	11506	8276	9760	7315	8639	100314	12039	7548	2364	3236	3591	14492	12168	12543	17613	10107	10199	20173	2129	0	3806	7629	14625	12092	15988	69923	7487	17146	12744	7422	12683	15049	14564	0	20069	17432	10055	14720	2214	3342	8078	1423	0	0	3025	0	0	13611	10923	7553	11721	11757	501	15426	8345	6342	11672	5169	5309	9804	1677	10655	9385	13247	17879	11890	8867	0	0	2367	7703	11047	16926	13875	11411	0	8747	4670	9836	5865	2046	103314	82120	11340	8431	13457	8272	10542	11324	25353	19296	13631	4025	2732	0	10258	11138	5907	11072	8697	17124	6985	9652	6641	8176	8312	0	6744	7932	Lipid	0.33333334	1.7619047	0.04761905
20	C20 H37 O6 N3	416.2755	416.2757	-0.09135197	416.27548	0	0	0	0	11810	0	0	0	0	0	0	0	0	118332	0	0	0	4476	4482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1967	0	0	0	0	0	0	0	0	0	0	0	0	9546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2263	0	0	0	0	0	0	0	4608	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.85	0.15
10	C25 H37 O4 N1	416.27954	416.27997	-0.12845434	416.27948	3403	4023	3704	1847	0	0	3062	5410	0	0	0	4222	0	0	7177	16738	9020	0	0	2959	0	0	1719	18281	1964	0	4517	0	4606	2601	5875	4210	18574	3019	2107	3871	18584	4174	7516	0	0	0	0	0	0	2053	0	0	7056	4876	1502	1808	0	0	0	0	0	9029	0	0	13416	0	0	0	0	0	1447	16149	0	0	0	3246	3797	3403	3638	2334	0	4596	1962	0	1953	0	0	0	0	0	1662	1313	996	23044	0	0	7244	0	2224	0	0	1751	0	0	0	13909	3357	0	0	4023	0	0	1292	0	Lipid	0.16	1.48	0.04
26	C25 H37 O4 N1	416.27954	416.2799	-0.21217881	416.27945	9707	8416	6661	8942	9819	3679	5214	7741	5029	2719	10450	3939	3720	4528	0	10267	16238	0	5452	10821	8947	8917	5215	6878	9221	23595	3656	11224	9550	12331	10280	8919	9474	7964	3223	14462	10044	2939	14750	10628	10920	0	0	0	0	0	8996	0	6341	9437	7732	9006	6947	0	4875	0	3106	10691	4896	8207	11018	4196	0	3594	2696	6312	9318	17752	19657	13252	18265	6212	7942	7881	6505	8212	0	3101	8878	13030	3493	6067	6484	9176	6357	0	21223	5717	5784	40451	12473	12640	14738	9408	0	0	7748	8109	6288	7539	6638	12321	5167	11258	0	10333	8226	0	8529	3328	Lipid	0.16	1.48	0.04
24	C25 H37 O4 N1	416.27954	416.2799	-0.2316396	416.27945	6604	8033	5271	4535	5262	908	7768	6189	2326	2745	6957	5244	2024	3756	4312	13278	17279	2543	4563	6085	5390	4787	4194	4423	10856	22671	8228	9649	5965	10071	6024	8421	9002	8051	3597	8359	6403	5404	15021	7143	9726	4818	0	0	0	4801	6968	0	6988	8394	5971	6171	5590	0	2852	2479	2331	12135	4439	10780	9920	3406	1855	1978	3526	2018	5185	21236	11776	9625	12815	4959	7057	14125	10636	7583	0	3532	8247	7188	3494	3791	6416	7216	3731	3379	16803	4197	3770	36107	7566	7923	12990	6414	4786	0	7279	7273	4106	2247	3433	14792	4017	10631	2867	9481	4981	0	13224	2370	Lipid	0.16	1.48	0.04
12	C25 H37 O4 N1	416.27954	416.2799	-0.23225491	416.27945	0	2390	4449	2873	0	0	3019	4932	0	0	0	8024	0	0	5844	5862	5977	0	0	4564	0	0	1239	4412	2670	837	2893	0	7830	6257	10965	8753	11738	5007	1503	6129	7847	12559	3422	0	0	1538	0	0	0	0	0	0	10284	4780	1903	3986	0	0	0	0	1269	2357	0	0	0	0	0	0	949	0	1052	14906	0	0	0	7637	4863	6534	6404	4159	0	10804	0	0	2308	0	0	1136	0	0	0	0	2738	25477	0	0	34085	0	2894	0	4464	3121	0	0	0	9308	10365	0	0	14551	0	0	1445	0	Lipid	0.16	1.48	0.04
28	C22 H41 O4 N1 S1	416.2829	416.2833	-0.21622963	416.2828	16487	16119	14830	15617	1259	9573	4201	37113	0	1003	6259	18053	0	1789	136449	46451	9119	7113	7133	0	0	1429	6100	11179	38388	0	29783	45539	27591	9119	36340	24902	19927	37724	0	11555	21271	183609	24394	0	0	31084	0	0	0	0	0	0	39875	8486	17226	12684	7068	0	1751	0	8044	54801	0	0	13192	0	3041	3605	34119	1450	13598	20933	4836	1626	0	15887	21224	20905	16608	27319	0	38629	3720	27330	3145	0	0	0	12703	7476	57404	28330	35221	37508	79172	19385	11166	1371	0	0	15619	14637	7304	1041	1948	21773	20841	0	0	12378	2714	0	12760	746	Organosulfur	0.18181819	1.8636364	0.045454547
0	C19 H37 O5 N5	416.28674	416.2872	-0.2673469	416.28662	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9008	0	0	0	0	0	0	0	0	0	0	0	0	0	1573	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	77001	0	0	0	0	0	0	0	0	0	0	50731	9579	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2631579	1.9473684	0.2631579
2	C19 H37 O5 N5	416.28674	416.28714	-0.21090095	416.28665	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11081	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50319	0	0	0	0	0	0	0	0	0	0	38062	5377	0	2607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2631579	1.9473684	0.2631579
24	C22 H41 O6 N1	416.30066	416.30093	-0.14602606	416.3006	2586	2178	2212	1875	1743	2979	80615	2293	0	1278	0	0	2320	21089	0	0	1909	0	1692	0	0	0	0	2029	1814	3793	63855	6086	1959	2001	0	2056	1525	1631	0	2306	0	999	3049	0	0	1938	2077	0	0	0	0	0	2904	1225	2201	1820	1814	0	0	0	1448	1336	870	2461	1670	0	4372	0	10362	10207	3685	0	0	1613	2187	1477	1084	0	0	2023	0	0	0	7131	0	1919	21979	20774	0	0	0	0	1377	0	10505	12266	2206	0	0	0	0	1948	959	0	2165	1609	0	0	6052	0	0	0	0	3620	Lipid	0.27272728	1.8636364	0.045454547
26	C22 H41 O6 N1	416.30066	416.301	-0.12303344	416.3006	2739	2986	2138	2367	0	3072	76043	0	0	0	7158	0	0	13583	0	0	0	0	0	0	0	0	0	0	0	0	51727	19898	0	0	0	0	0	0	0	0	1508	0	4155	0	0	8087	0	0	0	0	0	0	0	0	3174	2345	0	0	0	0	0	0	4406	0	0	3205	2878	0	16914	4731	3218	4104	0	0	0	0	0	0	0	0	0	0	0	14602	0	0	12972	6275	0	38789	0	0	0	2452	34165	45131	0	3062	0	0	3624	0	0	0	0	0	0	0	15342	0	0	0	2482	1682	Lipid	0.27272728	1.8636364	0.045454547
14	C26 H41 O3 N1	416.31592	416.31644	-0.18345697	416.31586	0	0	0	0	0	0	0	7524	0	0	0	3508	0	0	4278	26391	0	0	0	0	0	0	2415	0	0	0	0	0	7315	6036	63661	0	0	0	0	4144	0	3878	0	0	0	0	0	0	0	0	0	0	8693	3738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1131	3843	17832	0	2406	0	2840	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1163	0	0	0	0	0	0	0	Lipid	0.115384616	1.5769231	0.038461536
24	C23 H45 O5 N1	416.33704	416.33688	-0.112765804	416.337	0	0	0	0	0	0	8498	0	2275	0	0	0	0	1080	0	0	0	0	0	0	0	0	0	0	0	0	6603	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1071	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4088	0	0	0	0	0	0	0	21265	0	0	0	Lipid	0.2173913	1.9565217	0.04347826
26	C23 H45 O5 N1	416.33704	416.33685	-0.1309741	416.337	0	0	0	0	0	0	40123	0	0	0	0	0	0	3502	0	0	0	0	0	0	0	0	0	0	0	0	24692	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5442	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4647	0	0	16947	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2173913	1.9565217	0.04347826
16	C19 H12 O11	417.04523	417.0458	0.0490329	417.04526	6457	3745	1754	7523	24536	7531	0	0	34327	4649	0	2157	42158	9037	1343	0	0	17047	22304	0	3303	15201	6382	2331	0	0	0	0	0	0	0	0	1905	0	7436	0	0	3333	2233	2306	3695	3347	266	0	0	1323	6469	502	0	0	4721	6926	14973	0	22795	23872	8014	1863	0	1981	0	5243	51069	26177	7765	27852	7964	1838	0	0	2068	0	0	0	0	0	0	1103	8495	10282	5897	3908	0	0	35375	9028	7641	9734	5773	0	0	0	0	24736	13979	0	6311	8881	16741	33954	37043	0	2510	0	0	0	23515	0	1104	45760	Phytochemical	0.57894737	0.6315789	0.0
14	C19 H12 O11	417.04523	417.0458	-0.045308117	417.04523	4214	3163	4436	2292	18597	5397	0	1646	21798	2576	4946	1303	25188	4637	1276	0	0	12067	13874	0	3107	13352	3287	0	0	0	0	0	0	0	0	0	1592	0	5393	0	0	2792	1365	0	4989	2251	0	0	0	0	0	0	0	0	4037	3200	7084	0	14837	18024	5059	0	0	0	0	0	43085	23506	5035	22375	1932	0	0	0	0	0	0	0	0	0	0	1043	4948	0	4086	2146	0	0	20047	3373	2893	8003	3835	0	0	0	0	22312	7415	0	3002	3512	11418	25376	18271	0	0	0	0	0	11869	0	0	26424	Phytochemical	0.57894737	0.6315789	0.0
20	C19 H12 O11	417.04523	417.04578	0.011632966	417.04526	5421	5845	4497	4429	21628	8599	2204	0	23331	0	2155	2557	45593	10939	3892	0	1309	23681	18418	2464	4413	7278	7673	0	1329	0	1524	0	0	0	0	1330	5471	0	2611	0	0	4218	1404	0	3666	3612	963	0	0	3112	4411	1289	1784	0	6390	4588	14412	0	20290	27108	8257	0	0	1520	0	0	40852	26527	7027	31871	5108	1398	1736	0	2122	0	0	0	1633	0	426	2492	11771	7313	10114	2406	0	0	35783	14021	6532	8145	7842	0	0	1691	1903	17923	4454	0	3692	5811	16582	34523	37134	1654	1431	0	3014	2482	18973	0	1492	38939	Phytochemical	0.57894737	0.6315789	0.0
26	C19 H12 O11	417.04523	417.0455	-0.21965869	417.04514	5985	6182	6774	6394	20079	8511	1971	0	19429	2648	0	0	41549	12964	0	0	0	44129	27718	0	0	4872	9114	0	0	0	1721	0	0	0	2347	0	2320	0	2844	0	2473	5484	0	0	0	0	0	0	0	0	0	0	0	0	7821	6508	13918	0	21190	12593	5689	2411	0	0	0	0	43577	20802	5926	24423	5187	2409	0	0	0	0	0	0	0	0	0	0	16178	0	15905	0	0	0	29048	11501	13456	10098	7503	4628	1760	0	0	4323	8001	0	5890	9488	10899	21004	24486	0	2681	0	0	2233	15907	0	2641	41530	Phytochemical	0.57894737	0.6315789	0.0
28	C19 H12 O11	417.04523	417.04562	-0.09125634	417.0452	8279	7885	8687	8714	21640	11578	3107	0	18966	2040	1000	2633	40197	14419	5468	3295	0	36440	31304	0	3543	7856	7539	3826	0	0	3313	0	0	0	2025	852	5069	0	3517	0	4450	4614	2311	1084	1956	4004	1207	0	0	4436	2890	1261	1435	0	7498	7669	15828	0	21897	18855	6521	2182	983	2031	2441	1368	36797	20318	6280	23687	6766	1922	0	1250	1295	0	0	0	0	921	0	2575	15013	3130	14477	2292	994	0	34236	9815	10620	8645	7710	3494	0	1605	3269	5337	5137	0	9790	7015	10328	19990	22581	3414	1094	0	2620	2693	16728	0	4003	41468	Phytochemical	0.57894737	0.6315789	0.0
18	C19 H12 O11	417.04523	417.04572	-0.04173935	417.04523	7088	5641	7630	11893	22572	9331	2633	0	21147	4608	0	4380	45323	11438	3787	1822	2359	21423	25630	0	4088	18259	5927	1309	0	0	0	0	0	0	0	0	3076	0	3022	0	2397	2974	2450	2471	3625	3406	395	0	0	1870	5165	970	0	0	6776	6402	16542	0	29964	26753	9862	1290	0	2432	2122	3328	43335	29582	9281	30103	7626	0	0	1606	2846	0	0	0	0	0	0	2341	12437	10974	11715	4844	0	0	35141	15255	10993	9132	8832	3096	0	0	0	16639	10508	0	8848	4629	16833	43269	32552	1870	3056	0	3410	4335	19005	0	2305	37486	Phytochemical	0.57894737	0.6315789	0.0
22	C19 H12 O11	417.04523	417.04575	0.09028244	417.0453	4741	5282	3986	3860	22677	6196	0	0	16740	0	1954	2105	33059	7727	4379	1455	0	27037	15558	0	2736	5555	6366	1827	1639	0	1591	0	0	0	1200	0	3190	0	2389	0	0	2262	3010	2445	2105	4643	0	0	0	2525	1472	0	1442	0	6860	4324	11589	0	16189	18319	7297	2125	0	1593	0	1218	33660	18269	6561	28077	3992	1625	0	0	0	0	0	0	0	0	663	2336	10364	5031	11895	2658	1560	0	28783	10400	7541	7893	7360	2484	0	0	1854	12541	5033	0	3664	5989	13331	26745	22241	2485	1346	1276	0	0	14697	0	1827	32148	Phytochemical	0.57894737	0.6315789	0.0
24	C19 H12 O11	417.04523	417.04572	-0.07488968	417.0452	4870	5195	6296	3660	20112	9292	0	1457	16027	1660	1083	1467	34279	11395	5342	2487	0	24418	30241	0	2888	4126	6878	2441	2014	0	1689	1234	0	0	0	1705	1727	0	2291	0	2854	3020	1271	1709	2322	1592	0	0	0	0	2199	0	1373	0	5942	6497	13560	0	19195	15859	7251	3328	1280	0	3205	1278	33618	20227	4989	28884	3904	1794	1201	0	1704	0	0	0	0	0	0	2092	12551	2889	14637	1673	1263	0	29491	14551	6961	5556	8400	2329	0	0	2743	7342	5997	0	5214	5858	8251	19789	22169	2968	1561	1306	2214	1716	13799	0	3241	35596	Phytochemical	0.57894737	0.6315789	0.0
12	C16 H16 O13	417.06638	417.06726	0.19457746	417.06644	2319	0	0	0	4891	2957	0	0	6653	0	0	941	12640	1427	0	0	0	4267	5757	0	0	0	1148	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2227	0	0	0	0	0	0	0	0	2288	2015	2681	0	4935	7817	2832	0	0	0	0	0	19135	11402	2648	6197	2003	0	0	0	0	0	0	0	0	0	0	0	1115	0	0	0	0	0	9470	1328	0	1490	2185	0	0	0	0	0	0	0	2886	0	8762	12988	8280	0	0	0	0	0	3993	0	0	20529	Phytochemical	0.8125	1.0	0.0
8	C14 H16 O9 N4 S1	417.07108	417.0719	0.19125625	417.07117	0	0	0	956	0	0	0	0	1614	0	1239	0	0	0	0	0	0	1064	1186	0	0	2052	0	0	0	0	0	0	0	0	0	0	0	0	1674	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1513	1857	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1094	32019	0	589	0	0	1552	0	0	663	717	0	0	0	0	11541	25582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1031	Organosulfur	0.64285713	1.1428572	0.2857143
18	C19 H16 O7 N2 S1	417.0751	417.07584	0.41717538	417.0753	79967	73267	65715	61352	115338	71928	19284	19457	118505	162969	85773	21642	204569	60735	37010	25212	13469	154941	141538	96070	91082	149108	41825	33862	20029	49060	19678	44813	12406	8206	16862	16759	32016	10470	185658	10703	33798	31288	12916	83936	70048	31983	3780	625	679	94277	96940	1338	13464	12790	76497	66644	70852	461	133115	107351	55576	30953	27304	19871	29490	66822	203959	117498	41316	145747	55320	12483	62065	65609	71516	13851	9179	2931	8215	9463	841	20137	81508	94041	50220	88370	15570	43283	139004	72904	56288	37993	52583	25102	41323	50758	45833	143620	169477	766	79443	59700	102742	117275	114268	33293	19700	25487	62795	27987	87508	396	21785	182757	Organosulfur	0.36842105	0.84210527	0.10526316
8	C20 H16 O10	417.08163	417.0823	0.047847323	417.08163	3797	6951	5434	5084	7329	3003	714	1612	12518	14865	15623	2558	12735	3085	2061	2265	4660	8622	9578	8287	14521	7226	2400	1700	0	2791	1225	3444	1342	1340	1229	2242	1504	1348	20547	1210	1963	2635	1960	4969	9465	2845	0	0	0	3897	11893	0	1316	1609	5683	5454	5761	0	11405	11242	3981	1520	1804	1957	0	4918	20393	11306	4004	9990	3962	3614	9040	9106	16194	1408	1142	0	0	722	0	1560	5093	3316	4398	4165	1462	1536	11843	4631	4228	4120	4883	3624	0	0	2100	9994	8085	0	4374	5523	10971	15770	10945	2028	2455	2684	0	1752	11500	0	679	18050	Phytochemical	0.5	0.8	0.0
28	C20 H16 O10	417.08163	417.08203	-0.120111704	417.08157	9002	7939	8798	8631	16709	9717	3433	0	14125	12634	3654	1901	27487	10544	4943	3840	0	28191	18788	7442	10921	12724	7901	3530	4149	3816	3147	2136	0	0	1604	0	3524	0	13650	0	4621	4239	2053	5634	5517	2521	0	0	0	7822	7678	0	2164	0	7327	8459	12406	0	19990	15202	7145	1781	3389	1984	2519	4887	28745	13857	5202	19034	6061	1402	6344	8038	7962	1214	0	0	0	1488	0	1992	12713	6436	12121	4323	2167	3658	23097	10033	8984	5628	5974	2026	2249	6943	3874	10256	17300	0	9379	9890	8196	15705	18504	3108	2140	4277	6523	4129	10812	0	3580	23912	Phytochemical	0.5	0.8	0.0
20	C20 H16 O10	417.08163	417.0821	-0.053737257	417.0816	44492	40533	32757	38851	74700	50820	9683	6412	85779	98593	36782	9395	145504	45785	19628	11680	9514	92453	81015	52501	49065	88331	32860	15034	16521	32630	10710	19932	7746	5019	8627	5585	14278	5530	95934	5860	21907	18157	6156	44383	40440	20225	2552	910	505	51969	65175	2582	5159	7034	47035	43917	49087	1048	82388	76097	35404	15973	14702	10168	12791	29948	136974	73793	29246	98017	30690	9734	36043	41543	47660	7674	3045	1759	3371	4860	976	11016	43799	63205	33364	41370	6354	31111	97677	48245	42080	24327	31895	13471	19730	29331	14846	78948	88308	880	45620	41169	64034	88421	86051	11164	10220	14436	45942	13321	68689	914	14635	135237	Phytochemical	0.5	0.8	0.0
26	C20 H16 O10	417.08163	417.08203	-0.1611919	417.08154	9260	8811	10396	9119	21148	8768	0	0	22291	19623	3192	0	42784	8874	0	0	0	30749	26907	10028	11091	19910	7295	0	0	0	0	2631	0	0	0	0	2038	0	18388	0	3556	4305	0	5923	6297	0	0	0	0	10571	8778	0	0	0	8537	7219	12134	0	25372	14993	8119	3087	2425	0	0	4510	39756	18583	5748	26981	4906	2369	6817	13313	9937	0	0	0	0	0	0	0	12568	10297	12180	9172	2509	2948	28402	10046	8292	4527	5985	2548	2425	6379	4446	14931	29259	0	6911	12925	9557	21345	18177	0	0	0	0	2466	13585	0	3800	37278	Phytochemical	0.5	0.8	0.0
12	C20 H16 O10	417.08163	417.08218	-0.06425616	417.0816	46466	51452	46295	51023	44060	19841	12473	10134	56826	102274	68506	12520	66211	18998	18472	20506	12011	52417	59346	73732	71909	106862	23269	12300	3925	24280	8502	29521	6637	7456	7924	7224	16469	7576	144560	6418	16198	17057	12494	38486	89620	20763	1175	0	0	48301	98443	0	12469	10034	37903	45194	33009	0	56452	49499	24576	19295	10569	13854	0	39910	96534	51206	21617	53912	25482	18343	55092	54141	81931	10173	5369	5617	11118	9669	0	12755	32472	56812	31192	39322	7656	18823	64424	26271	29761	21659	18198	28051	12893	18823	17687	98141	78169	413	50698	43084	67922	61976	55191	12725	12629	15334	57402	16351	46785	0	8474	76114	Phytochemical	0.5	0.8	0.0
16	C20 H16 O10	417.08163	417.08215	-0.04169959	417.0816	76675	93452	82201	83156	127086	70201	23497	19246	133648	221093	118467	28072	198526	55946	39422	37957	18064	156503	151326	139314	142801	182985	54187	35981	24512	58351	22613	59054	15777	13600	20616	17908	36729	18288	269845	14424	47018	29962	18258	84018	88257	41188	3171	371	623	88815	128418	861	19667	17650	74418	74553	87938	497	127109	103333	58132	38895	31336	28381	33231	73946	226540	114304	43390	138684	61756	21331	94835	89908	98517	17849	12703	6665	14041	16347	539	24292	74799	128339	58348	97436	24241	55058	142735	72628	67296	44666	51471	38645	37326	60368	52832	183979	202342	716	84296	73233	108723	136953	132919	26660	23303	24965	89428	32818	104635	417	23189	185425	Phytochemical	0.5	0.8	0.0
24	C20 H16 O10	417.08163	417.08206	-0.035151724	417.0816	13164	14275	13883	13587	32201	12907	2910	0	31494	28004	5666	2146	59786	15551	6601	3848	0	40702	28050	13690	16159	22726	12526	4850	3965	8496	3177	2132	0	1705	1093	1014	4284	1399	29689	1141	6443	4856	2038	10535	8074	5585	0	0	0	12815	19259	0	1704	3078	13889	12515	18153	0	40129	28063	13070	2810	3984	2167	3831	5964	55739	29752	11208	31652	9634	1685	6649	12413	13351	1807	924	0	0	1148	0	5107	20483	18036	18634	14176	2870	5763	39968	16430	14893	6244	10435	0	3134	6695	6141	27140	43835	0	12806	8690	18668	29658	29443	4007	2851	3320	10953	3727	17124	0	3672	51304	Phytochemical	0.5	0.8	0.0
10	C20 H16 O10	417.08163	417.08224	-0.005171272	417.08163	17460	16201	16692	18387	22783	9985	3593	4955	27444	45100	37419	7222	30833	8823	5698	8863	4199	21072	25104	21145	36196	29367	11270	9070	2006	10011	5390	12801	3623	3828	3464	3097	5771	3211	57826	3167	6138	8994	6264	19030	30591	9394	761	0	0	18503	33057	0	5045	5322	18391	17357	14370	0	25757	22783	10642	6493	5042	12134	0	13968	39798	27620	11392	27110	9199	9268	27407	17111	35557	5247	2169	1803	5323	3064	0	4786	19364	15337	12881	17786	3034	4409	31842	10834	12652	12271	9489	10651	3351	8593	9360	43992	36343	0	16092	15215	27762	33415	27963	5065	5697	2847	21137	7098	21337	0	6316	33408	Phytochemical	0.5	0.8	0.0
22	C20 H16 O10	417.08163	417.08212	-0.0420441	417.0816	24451	28482	19188	20199	42069	24210	5670	3328	47042	42719	14442	6494	75750	27739	10436	6818	2174	59362	41282	22640	30375	55487	15829	6873	10033	13626	5193	8015	2728	2085	3675	0	6318	4725	47896	1273	11019	10778	5155	19332	14120	8139	2585	0	698	24581	35679	0	3512	4604	27147	28679	28774	647	52744	43968	18517	8042	8124	7084	5372	18957	87606	52341	15134	54568	17748	3888	17232	17553	20569	1629	2683	1185	2386	2448	991	5024	28975	33555	24042	17519	6201	8082	69484	37210	16760	11429	16660	4251	11607	11760	9086	55976	56200	0	23967	20081	37277	53902	53107	5662	5432	5223	25911	7149	39735	0	8798	84182	Phytochemical	0.5	0.8	0.0
24	C11 H20 O11 N4 S1	417.0922	417.09232	-0.238901	417.0921	2373	2702	2577	2286	2365	2869	0	2873	3541	5720	0	5645	7110	2311	2944	0	1976	1824	3482	0	5047	8329	3193	2613	0	0	0	0	1681	1864	3592	2882	4112	0	4668	1828	4983	1167	2580	3430	4368	20853	0	0	0	2450	6974	0	1728	1398	2496	2381	4354	0	2875	1790	0	2564	1394	1103	2028	2903	6104	2961	1169	3090	1605	1966	0	0	0	1278	0	0	0	1723	0	13361	1808	5457	1852	3203	1307	0	2198	0	1240	4433	2358	2635	0	0	4785	9192	13692	0	2959	2324	0	1735	0	3505	4434	0	2210	3922	0	0	1240	4462	Peptide	1.0	1.8181819	0.36363637
10	C19 H16 O9 N2	417.09286	417.09348	0.043252345	417.09286	10071	12487	10924	13404	17009	5329	3604	2365	17941	29255	21734	4042	28868	5324	2878	3847	3095	32812	17844	17737	32157	33815	4707	4448	1702	4906	1699	4439	2783	2576	2116	1585	6364	1825	42335	1211	5983	2262	3855	23863	39152	3789	0	0	0	12779	41271	0	2540	1556	12981	13876	7686	0	21402	16351	5919	3409	4536	4723	0	17554	35112	21153	4540	19443	7807	8480	21578	14328	26698	1872	0	1442	2153	929	0	1179	6940	12768	5503	14320	1661	4918	20551	7207	7672	7272	6840	8392	0	7083	8243	31054	25826	0	12178	11404	11605	18259	14479	3752	3325	2827	0	5139	14141	0	3375	31895	Phytochemical	0.47368422	0.84210527	0.10526316
20	C19 H16 O9 N2	417.09286	417.09332	-0.10192702	417.0928	12526	19542	19151	14548	14965	11566	5305	3522	10451	25401	18519	4546	25124	6642	6432	4436	5306	20914	16031	18711	28547	56274	6358	12787	7998	19061	3998	12631	0	0	7196	5270	11824	0	42386	0	8262	8385	4420	42811	34945	10407	2212	0	0	28886	54543	0	7636	4962	12144	17344	12162	0	20946	4280	8753	5574	3354	9621	11421	28084	18990	15154	7165	17479	9705	3624	3840	16278	7554	2858	2386	0	3268	1306	0	5614	16597	41811	5334	21946	8825	17042	14260	8743	8024	10416	8588	23124	9436	12416	17594	64615	54194	0	9260	9418	13903	18868	15014	9674	4340	10721	34392	12170	14651	0	7016	19376	Phytochemical	0.47368422	0.84210527	0.10526316
14	C19 H16 O9 N2	417.09286	417.09344	-0.005204477	417.09286	20367	17356	15865	25937	19705	11932	3705	3358	28710	46680	34170	5304	78862	8653	5795	8116	6982	25246	20511	30376	50310	58973	10077	10322	4531	14013	4891	14329	3262	2774	3363	0	12710	3209	70209	2590	10377	5505	10089	40081	62716	10935	0	0	0	33090	59662	0	2675	3168	17480	13590	14533	0	29080	22443	11376	10679	5471	8020	0	33602	52943	28420	7864	26828	12263	10112	35680	25999	44769	3272	2373	0	5151	3881	0	6577	16370	34939	10931	28976	4968	17747	28766	10791	16369	9801	11451	27043	7529	15065	20469	49296	54816	0	15450	17397	15010	26285	25914	8030	7753	5495	34992	8401	16808	0	5670	42633	Phytochemical	0.47368422	0.84210527	0.10526316
12	C19 H16 O9 N2	417.09286	417.09344	-0.059946407	417.09283	13778	15818	12814	14094	20282	7534	3630	6890	25812	48119	33896	4899	35424	6851	5289	6949	8414	20741	19154	28901	44974	58195	10241	6698	2884	10140	2384	8585	3868	1305	3887	3999	8629	2492	70808	1085	6094	5492	11934	33020	74316	7352	374	0	0	30739	57309	0	4833	2658	15266	14284	13664	0	26457	20348	8339	5446	4861	9215	0	28632	54399	26882	6824	22548	9603	7199	30811	22986	49773	3530	1761	2041	4944	2486	0	4308	13962	29457	8632	25552	3362	16330	24901	8589	14615	7027	6569	18225	5434	9912	14198	52976	33845	0	11202	18575	20253	25918	19203	5921	4877	4894	21559	8812	14112	0	4162	42784	Phytochemical	0.47368422	0.84210527	0.10526316
16	C19 H16 O9 N2	417.09286	417.0934	-0.020151254	417.09283	14283	25965	19209	17774	22096	12835	9335	13351	25052	39450	26854	5032	30400	9379	5182	7575	7730	28517	23730	31008	52835	66709	17282	10688	6064	11107	4169	17155	7732	6380	4875	3910	14032	10954	59108	1370	19051	7752	5274	35513	59262	7928	528	0	0	27250	44517	0	10977	2447	15593	29843	15087	0	20239	18924	6047	15356	15860	5992	0	30604	40266	19604	11496	35443	17012	9968	17710	26098	24656	6265	6629	1726	3394	8271	0	9927	22369	34576	12785	33988	2186	23920	23208	13486	17838	18074	15665	0	6447	24043	35306	61459	60433	0	23460	14912	12967	20376	22187	10067	10178	6370	22071	12643	14258	0	6134	36897	Phytochemical	0.47368422	0.84210527	0.10526316
8	C19 H16 O9 N2	417.09286	417.0935	-0.003959312	417.09286	5752	6437	5095	5851	8125	3154	726	1465	10791	16829	9853	953	15571	1807	1102	2016	0	6282	9944	6042	16753	12921	1772	1825	0	1592	0	3736	0	773	1617	1315	1320	0	22852	0	1268	1051	1766	7734	19951	1613	0	0	0	6347	17486	0	1465	0	5150	3906	3815	0	10249	9257	3107	1599	0	2517	0	8068	19475	10831	4712	12251	3589	2449	4870	6552	15444	0	0	0	0	1490	0	1367	2989	7567	2271	4961	627	2062	11253	4475	1409	2965	3392	4716	0	0	5011	14252	9269	0	4959	5392	7635	12994	9052	1900	0	0	0	3247	4231	0	1919	14511	Phytochemical	0.47368422	0.84210527	0.10526316
6	C17 H20 O12	417.10275	417.10355	0.17795175	417.1028	6178	4998	5796	3576	8900	5318	0	3296	11592	0	0	3164	22164	4362	1216	3276	4266	13002	12294	0	3524	4796	4980	0	0	1598	2146	0	2738	0	2214	0	3100	0	7156	2438	1788	2238	4422	0	5114	4086	0	0	0	0	0	0	3712	3452	3866	4370	5662	0	11502	16112	6128	2998	0	3386	3462	1329	23620	11868	4258	14652	4714	5026	0	0	0	2388	3980	2482	5664	1760	0	1590	5718	0	4146	2296	1536	0	18570	8020	4670	6908	6738	4336	0	2712	5688	3776	0	0	4330	7304	7424	25070	19688	4282	2586	0	0	3516	9642	0	1494	23998	Phytochemical	0.7058824	1.1764706	0.0
8	C17 H20 O12	417.10275	417.10342	0.077144034	417.10278	18711	20748	12010	20374	25836	15096	10098	10432	32762	16096	16424	12630	59228	7262	8266	14054	15455	34672	31006	13894	12596	20842	14734	9654	3522	920	5366	3404	5370	8413	5386	6014	11364	6241	19314	4564	14935	11312	12140	0	12064	19538	0	0	0	0	0	0	7716	6890	14840	13556	20162	0	37210	33934	16204	5446	6268	8994	0	6158	67416	34842	13416	40684	19400	14566	0	0	0	10056	5766	4680	10042	5270	0	8815	16710	6404	15092	5864	3246	0	45124	14742	12939	17606	14836	13578	0	0	15148	24348	10520	0	10312	16112	25858	58964	49578	10062	8644	8746	0	11847	28552	0	5938	71830	Phytochemical	0.7058824	1.1764706	0.0
6	C15 H20 O8 N4 S1	417.10745	417.10822	0.15434438	417.1075	19488	16521	17511	17550	2583	8323	8296	33748	1131	0	4475	28563	1417	0	7584	41517	113973	3955	8844	1671	2706	0	18210	22507	13710	0	11911	0	33820	28475	19635	36394	42353	33946	1261	28202	45195	7549	91416	0	0	29997	0	0	0	4583	1896	0	63038	27231	20806	16416	11773	0	1337	608	6884	38081	0	0	34947	0	0	5384	7350	6415	26933	120874	0	2831	2825	19218	18044	9537	60672	25476	0	19424	19465	0	15980	0	0	0	788	4072	30035	36382	28424	31121	0	0	10214	0	0	0	20430	16689	0	948	0	47390	15250	1845	0	18142	2173	0	9648	2947	Peptide	0.53333336	1.3333334	0.26666668
10	C21 H20 O9	417.118	417.1186	-0.058667652	417.11798	59027	50233	45359	42825	35060	23933	25930	35877	40475	257446	75017	31465	35884	21711	25890	45354	30973	40612	50871	90875	99110	70894	32570	44488	15393	83842	27572	52362	24069	34435	32720	31628	32698	29797	268064	34978	32398	30247	45234	75384	153886	20426	1849	0	0	58976	92509	473	34561	31958	50222	52185	28280	496	43041	34256	23045	38632	30662	43252	47506	44589	48147	37111	20473	39110	24370	47448	107012	107915	315158	33375	29668	31524	29027	35965	0	20107	50228	44322	41275	55963	31016	39359	41557	23878	38048	21955	24759	45900	39135	33459	37937	55407	73368	598	53670	53053	42755	38628	34717	35268	27332	37360	53903	30109	38728	0	28734	52884	Phytochemical	0.42857143	0.95238096	0.0
20	C21 H20 O9	417.118	417.11847	-0.07197153	417.11798	159070	161408	153836	135850	196487	138615	56065	70907	228406	488210	204465	49150	308938	131636	83682	70404	41364	241021	232704	347304	314395	247254	100240	79365	72447	283583	47912	150914	54164	44618	61831	54742	80702	56210	520935	45423	104584	67913	45669	220346	159527	72259	8010	1630	1220	234189	236903	2374	60814	54520	146244	162069	124950	1357	231077	177189	89658	92869	69979	44818	76516	153826	315748	171046	89219	211301	103215	43280	259793	408159	357187	56137	53685	37044	35567	52008	2056	53920	139562	144810	107213	174180	66412	172913	214217	121582	112489	74560	91144	62493	114613	132739	93572	195116	253982	1717	166372	150287	176717	178711	194105	67607	49348	83807	166208	68291	152637	1937	67567	306939	Phytochemical	0.42857143	0.95238096	0.0
22	C21 H20 O9	417.118	417.11847	-0.09145988	417.11798	73737	80254	71354	75184	99069	63170	20227	25614	115895	206065	83384	23685	133405	62514	37809	27228	13505	120231	103842	143151	138379	107516	42133	35212	34836	132334	20029	61069	25739	18116	20509	24003	30598	17304	193202	19319	38742	28985	13915	90000	65465	32615	12046	0	807	95537	111212	0	19716	20383	66004	68994	70966	1220	119087	93561	43578	41443	30162	19738	31043	72105	144638	97985	37537	113391	43863	15682	110658	190935	175981	22133	15908	12461	16416	21986	1530	24259	61529	65595	62568	70758	26027	60984	132274	62871	50512	36652	46445	25714	44800	58532	40412	103538	133580	0	69655	61114	93834	109192	99055	29858	25410	35006	76097	30953	91088	0	30708	166142	Phytochemical	0.42857143	0.95238096	0.0
26	C21 H20 O9	417.118	417.11844	-0.111704014	417.11795	17070	18726	16931	20371	29885	14452	3273	5849	28338	54394	16606	5340	53289	15931	8226	7808	0	41937	39176	30996	37666	31835	12336	6492	5726	26068	4403	12857	5931	0	4530	6092	7999	3447	57896	0	6380	6225	3121	18725	16479	7376	0	0	0	16383	20347	0	5543	0	18436	21946	18337	0	34669	26141	10418	6598	4888	4279	5502	15301	52574	27960	9225	29932	9326	5780	33506	54221	54749	6379	3686	0	0	3812	0	7697	20787	19962	17010	15052	4607	12088	36614	14726	16289	6810	8536	5372	8669	9022	9928	22298	49490	0	17418	20617	20992	34318	27040	0	5890	7235	12430	4038	19866	0	4886	47155	Phytochemical	0.42857143	0.95238096	0.0
28	C21 H20 O9	417.118	417.11844	-0.1347455	417.11795	13488	13233	10407	12190	16531	10213	2859	3178	18664	30573	9208	2605	32623	11423	6426	5864	3012	23940	19680	21335	20404	16776	8882	9239	5529	18503	3075	8808	3052	2742	4137	3410	7244	3070	31897	2196	5831	5931	3132	12779	9533	5317	1314	0	0	12333	15736	0	3312	4001	12816	9757	10984	0	20012	15591	6550	6323	4259	2160	6697	7071	31806	15786	6538	20317	6834	2249	18264	37221	33089	3023	2507	2639	0	1935	0	3755	14229	11918	12278	8450	3981	8648	21814	11161	10488	5345	7062	4146	6837	8174	6819	14101	25422	0	11784	11618	12715	18405	20190	5125	4968	5428	8574	4099	14875	0	4820	26389	Phytochemical	0.42857143	0.95238096	0.0
24	C21 H20 O9	417.118	417.11844	-0.109778665	417.11795	37831	34766	35090	35437	46377	28418	5778	8387	50716	99191	33260	8399	83104	27549	13737	11647	8838	59030	48684	48589	57968	58529	26438	17285	11779	58011	6748	21659	6116	5804	9357	5010	16861	8122	94828	4312	13530	11601	8539	30825	32768	8344	0	0	0	41912	42925	0	10206	7047	35543	31678	32891	0	62437	46951	21321	11262	9045	9648	14272	27433	86544	44402	16072	54746	17982	4609	58574	88719	84838	8276	5702	3550	4376	5726	0	12160	34365	31985	32850	32598	8805	26116	59949	27792	28149	13875	16972	9406	15133	18264	17332	47941	83667	0	33986	26960	39240	51639	56218	12265	8888	10677	29730	12840	32850	0	14532	84531	Phytochemical	0.42857143	0.95238096	0.0
12	C21 H20 O9	417.118	417.1186	-0.064212665	417.11798	130980	124484	126043	133299	77171	53127	72615	74798	96207	281281	200747	61060	93576	43210	54288	86634	80187	92101	106087	233309	441354	190920	78009	104894	40507	167493	72049	124050	58825	67163	60989	69176	74079	60351	651620	59108	75560	68249	78122	157765	225108	47017	2716	0	369	161302	242348	623	84972	77703	129207	129836	59446	299	105286	69680	50053	90606	72609	93272	97398	124715	124581	81651	41554	98881	52919	82518	239667	229912	594288	72633	64423	59791	57789	72334	444	49034	93269	103083	84339	136685	59654	108166	100877	54308	91710	41925	53041	124523	70230	88741	86698	146605	155080	820	130726	128306	110629	86371	76021	83152	53277	97928	184147	68514	73338	0	57437	118738	Phytochemical	0.42857143	0.95238096	0.0
8	C21 H20 O9	417.118	417.11865	-0.07035403	417.11798	22196	22526	15516	19475	12225	9180	9325	15308	14935	42182	25309	11103	13869	8166	9111	18309	16372	11791	17191	31630	39010	26258	14331	13276	4266	26785	10455	18206	9705	11557	11484	12787	11326	11465	41468	9948	14777	10355	17996	21833	28599	8752	775	0	0	22677	35223	0	12764	10611	19393	20632	9112	0	17252	12333	7061	14192	13378	15336	14002	16089	19487	14142	7036	15378	9160	15148	39268	34237	58758	11811	13533	9731	9920	14839	258	7514	15822	11917	13128	14852	7958	16794	16712	8711	14789	9358	9960	13529	0	13436	13196	17759	22850	564	20524	16145	14444	17017	12619	12359	11624	15654	11895	10160	12439	0	8783	20483	Phytochemical	0.42857143	0.95238096	0.0
16	C20 H20 O8 N2	417.12924	417.12976	-0.07551834	417.1292	60805	65530	64290	59853	58599	42606	29838	33544	52871	153237	83606	23286	77849	27377	28055	41235	37159	80446	74858	109678	137331	124073	39843	48544	43410	63999	27754	62436	35396	28293	37556	38654	49676	24515	170735	23716	52559	29891	36566	133899	119682	32229	1201	0	0	109944	111031	0	44107	26746	70471	60276	44867	0	55649	47769	25672	51183	42567	36147	60629	90326	73001	45343	22797	65433	39391	40928	75030	140054	126394	27753	28279	21226	26585	26857	0	22413	109440	83073	38096	74492	81664	90742	51756	34006	61069	35940	38470	83823	60356	80174	85086	105610	143808	0	57977	62604	30163	45891	53420	47402	23309	46636	56328	53152	35754	0	37570	78730	Phytochemical	0.4	1.0	0.1
8	C20 H20 O8 N2	417.12924	417.12988	-0.057904094	417.1292	43808	47890	38186	40779	31100	15492	13691	22824	33619	111815	66616	20674	43989	14732	17034	35300	25349	29164	37443	89947	105152	86699	25161	29710	12407	37745	15689	40348	22994	17887	17881	26450	28154	19284	138052	19225	28660	17712	32929	84647	110763	17580	0	0	0	72343	114653	0	24837	20138	40262	43424	21231	0	42197	28666	15983	26453	19066	29490	30987	57565	58535	32022	14793	35825	20925	26819	73656	83064	126705	21397	18281	15371	13204	24102	0	15085	27589	43148	20480	48599	17417	46928	30697	13845	27263	22152	20370	44461	23589	41775	45350	65040	84892	0	45717	37515	27752	34251	27986	26161	14509	33697	44089	24343	27633	0	20305	47819	Phytochemical	0.4	1.0	0.1
10	C20 H20 O8 N2	417.12924	417.12985	-0.06451164	417.1292	67989	64727	62290	57386	42579	31571	29678	34738	48417	170677	89967	30649	64198	28423	24961	42345	31581	49116	58100	127470	184792	130164	34822	49974	27337	74489	24641	61333	33478	31591	27693	36022	46906	30979	201154	35059	48673	28992	45930	136601	163329	25534	0	0	0	109505	158120	0	41456	31916	70561	61161	37404	0	66705	46082	21625	47798	33461	39056	45560	90691	73488	52946	24767	59427	68054	53767	127306	154856	176788	29880	27913	20568	24785	28535	0	27271	50487	83258	35593	87129	31688	70652	50898	27109	42327	36331	60662	66160	46033	50729	73763	111170	129319	0	63948	60405	38349	48611	41806	39949	24497	50787	83853	94578	35023	0	33079	67760	Phytochemical	0.4	1.0	0.1
20	C20 H20 O8 N2	417.12924	417.1297	-0.10268599	417.1292	29505	27280	21148	20533	21582	17175	14578	8981	21802	58681	45638	8949	25329	17029	15309	19195	9094	31402	31878	34998	57382	42541	13028	14775	10828	60721	10727	29732	9803	11854	10191	13031	24496	14901	71850	6792	17189	15585	14740	52227	46923	10282	734	0	0	38762	46310	0	10209	11915	23730	29119	17051	0	18857	16918	10665	11583	13894	11350	9612	34091	28615	21351	12514	33377	18908	15809	59938	67763	87084	11828	9039	5098	7201	8211	0	6953	19035	31861	19505	22692	17290	21274	27164	13554	21830	19294	17177	26304	20198	32926	36743	51930	44293	0	23692	24697	15265	18540	25319	11799	11691	14731	28716	20837	17663	0	19655	28952	Phytochemical	0.4	1.0	0.1
22	C20 H20 O8 N2	417.12924	417.12973	-0.039320894	417.1292	20110	18706	20411	15080	12299	13056	7437	9520	15288	42126	35625	8362	18700	0	8937	7844	8815	21140	16723	20519	24947	26447	11623	16964	13586	46532	5879	24376	7720	5964	12225	0	13283	4560	43629	8143	16614	12654	19499	39353	41265	9179	0	0	602	29596	43218	0	9142	3682	16727	14136	10544	744	12408	12077	11436	11194	11113	6460	0	32202	16606	10498	6958	16927	16301	10164	39971	38429	69786	8906	2617	3502	5158	5546	0	13175	18964	30895	14256	23789	7478	21707	17486	10941	18900	9476	11578	17079	17144	11714	16577	37266	40154	0	15534	16766	13673	17935	12066	15329	9558	13108	23456	10472	18467	0	12035	23246	Phytochemical	0.4	1.0	0.1
6	C20 H20 O8 N2	417.12924	417.1299	-0.09298736	417.1292	19776	19621	14850	17024	13531	7741	7001	11692	15088	49723	27219	8993	25343	5130	8422	10856	11586	17871	21275	29755	54379	35423	10297	17353	4674	16585	5534	18173	8357	7385	9588	10851	14833	8757	59947	7997	12716	8327	14073	27077	47547	7653	0	0	0	29426	45257	0	10742	10189	20474	16675	10904	0	18778	14869	6620	9794	7246	13908	13417	22782	27081	16011	7015	19299	9119	15099	31746	28125	50992	9604	7635	7599	4640	8915	0	4676	11813	14863	10814	19064	6844	15633	18054	9701	12276	10428	9337	19377	7532	15848	19578	31745	35479	0	17184	15657	12749	15982	17114	13810	7283	14275	25665	12766	13619	0	7398	25840	Phytochemical	0.4	1.0	0.1
24	C25 H20 O6	417.13327	417.13373	-0.009004296	417.13327	3772	3200	3313	3192	1708	1445	0	1150	1730	4974	14188	0	3004	0	0	0	2166	0	2776	5366	5378	2383	0	1470	0	24909	0	9782	0	0	0	0	0	0	7893	0	1623	1001	1670	4762	8311	0	0	0	0	6908	6027	0	0	0	3103	1689	2764	0	2680	1445	1988	0	1708	1653	1132	3427	0	1363	0	1918	3677	0	29539	16370	27136	0	0	0	0	0	0	1063	2779	7944	1730	4767	898	6054	2474	0	1005	1553	1660	1704	0	3420	0	8640	3944	0	3483	2421	3629	2480	0	1292	0	1216	2781	2212	1887	0	992	1698	Phytochemical	0.24	0.8	0.0
22	C25 H20 O6	417.13327	417.13376	-0.056505453	417.13324	4486	2718	4307	6414	3599	2004	1181	1970	3108	7116	19249	0	3166	0	2905	0	1879	7136	2509	7089	6601	3809	3245	1676	2400	38458	1603	13772	0	1123	1725	0	1729	0	13649	1829	0	1125	2595	5479	11467	1615	0	0	0	5920	10816	0	0	0	2761	4042	2762	0	0	2371	2432	0	2285	0	0	7062	0	2270	0	2486	3411	2690	32649	24739	50590	0	0	0	0	0	0	0	2878	9161	2320	4169	0	8505	4458	3137	4316	3080	1944	2705	0	0	2533	9302	6394	0	6216	5014	4317	3311	3256	2287	1584	2172	2968	0	1795	0	3503	2180	Phytochemical	0.24	0.8	0.0
10	C18 H24 O11	417.13913	417.1397	-0.021675553	417.13913	89996	97228	87720	87624	34674	29841	26218	95052	88414	83806	38884	31931	120060	14984	42264	42712	77080	121244	117828	65215	64678	114032	92976	48178	20830	9527	31988	20304	78936	89448	85192	100404	107484	30966	170690	50680	96684	69536	36788	37407	29840	62536	0	0	0	33412	31950	0	87282	48340	83492	54528	28616	0	78026	33650	42912	43158	50538	31628	49802	37704	128552	105284	24724	48606	32970	41862	12027	13717	18358	95292	91176	55916	36547	34118	0	70716	46493	20092	38246	22977	23464	17857	45505	34129	33914	24354	60528	0	0	38612	54800	32860	46067	0	45092	92712	22802	38050	36448	65668	71792	49580	0	33429	36528	0	22204	115080	Unclassified	0.6111111	1.3333334	0.0
16	C18 H24 O11	417.13913	417.13968	-0.032994285	417.13913	44926	46550	62519	63516	44959	51005	24271	51875	87999	109600	58275	25908	112386	25920	57572	29501	18614	100611	91887	110225	107104	80500	52852	37874	37905	42136	20319	39452	46875	42081	49115	39443	51689	40581	145794	43893	62976	32880	21041	73295	48979	36887	1221	0	0	55496	33854	0	44428	35164	60754	49002	49168	0	175860	50212	27063	40941	71080	9385	34482	56172	95291	92169	18586	61214	61970	17130	35052	71523	49514	57051	48974	48922	19780	38035	0	43007	30961	46710	31478	34458	26568	37180	41536	29462	24636	20000	35704	0	26570	52428	55965	53178	71210	0	39533	61771	39634	24324	24459	47616	31429	37140	23469	42629	29467	0	27627	118480	Unclassified	0.6111111	1.3333334	0.0
10	C17 H24 O10 N2	417.15036	417.15097	-0.043679498	417.15036	20664	22033	16139	20377	13216	11464	13639	20657	16836	15654	9600	18007	21144	6051	21634	19369	18118	27826	27251	11939	21941	35593	23734	25744	13044	7722	13025	5605	21875	21248	24560	21733	30286	25592	22198	27537	37463	24158	20732	18057	12806	15590	0	0	0	11881	14069	0	21328	21253	20573	23380	14153	0	35478	13099	9835	26995	23691	10709	27994	6211	24534	26522	13016	22309	19377	30990	0	6542	9227	24939	19893	20580	24901	15938	0	14370	16939	7480	12953	6939	8380	5360	21189	10360	14786	17133	18157	23115	16426	29255	42383	12882	17283	0	21206	22279	10538	8918	8905	30546	16174	20021	0	26603	10931	0	9474	33798	Lipid	0.5882353	1.4117647	0.11764706
8	C17 H24 O10 N2	417.15036	417.151	-0.06702553	417.15033	58389	59934	51582	42639	30615	30573	27402	57849	50802	33052	19485	44431	66408	14205	45099	55122	66117	59439	70609	36471	49052	67645	58221	60703	27939	3505	25878	0	57759	37047	44451	69189	73609	46428	43476	50868	80928	42753	50364	18438	51257	46784	0	0	0	25155	31464	0	60456	50550	49242	56061	33528	0	84964	38361	32910	63534	52809	42174	52875	23671	76272	61914	28233	56772	46064	75300	4114	5056	7842	48540	44907	41976	28485	44757	0	43473	36558	26718	29763	18107	24363	10651	33030	24774	36170	52262	44037	80495	0	81609	111990	18525	28247	0	48252	51054	26670	47814	23799	67572	40392	47604	0	67038	32241	0	31127	73473	Lipid	0.5882353	1.4117647	0.11764706
16	C26 H24 O3 S1	417.1519	417.15204	-0.5517597	417.15167	7871	6162	5713	5093	3075	0	8229	9697	11906	10088	0	6290	7441	4390	7096	8699	5582	8729	12409	0	0	7251	8127	8196	8016	15002	3556	0	6395	6240	6497	0	8237	14010	8350	7999	13143	8013	5576	4336	0	5314	2410	0	0	7315	6221	0	6719	6717	6065	7159	3837	793	5368	3526	9124	8788	9076	0	0	9151	6763	5472	5007	6264	5334	4552	0	0	0	7054	7019	5968	29090	10748	0	4098	8891	0	3885	5039	0	6546	5853	11135	8482	3865	0	0	0	6049	0	3216	6619	1018	11419	11138	4208	7088	3880	10182	4012	6541	0	0	13936	0	6053	8915	Organosulfur	0.115384616	0.9230769	0.0
28	C22 H24 O8	417.1544	417.15482	-0.1624931	417.15433	22584	17783	20403	21223	25607	16110	6386	11630	23469	44648	18395	6159	45546	18291	14098	17069	9681	26137	33352	39592	41562	22446	16873	14809	9099	41089	7936	21824	7884	13666	10763	9153	13062	10537	51072	11253	11844	8417	10197	23461	23728	11015	2579	1518	0	19791	25743	1845	12870	12085	20963	20157	18399	0	23190	25227	10490	15358	6634	7654	15767	16051	37177	20340	9267	32619	16645	9527	46820	73239	66350	10409	8977	8409	6444	9694	0	7296	19879	15325	14025	14560	9193	15282	27523	13717	19760	12300	10449	10834	16618	18717	18169	16302	27452	0	19781	24317	17180	30794	30896	15412	7683	11665	12576	12856	16010	0	9623	32720	Phytochemical	0.36363637	1.0909091	0.0
8	C22 H24 O8	417.1544	417.15503	-0.09601319	417.15436	19451	20434	14183	18071	8511	6860	14165	24397	10135	54392	16866	12751	8649	7869	13034	25651	19338	8710	11674	58566	64646	21703	17202	24366	11989	22198	15380	11486	15394	20698	15024	18608	14201	13461	53558	18761	13836	14288	24013	22680	49752	9898	1744	706	838	24450	29532	551	22977	18626	19166	19629	8052	978	13327	8725	7990	21545	11498	22396	20293	17101	10554	10664	8006	10077	9257	21050	20359	50448	39048	16976	16751	20048	13154	20922	698	11431	18785	8279	20387	16441	17845	16541	10526	7713	18635	8544	8968	22025	0	11634	15634	13193	36314	1339	17120	21709	12817	12127	10183	19071	13695	28536	12280	15286	7725	686	15590	9782	Phytochemical	0.36363637	1.0909091	0.0
26	C22 H24 O8	417.1544	417.15485	-0.13200794	417.15433	41865	39572	35545	34829	53696	28511	9133	25237	46131	85544	39141	16409	89934	35713	24796	23948	16559	65274	56510	81825	93991	46303	29331	26904	16606	73707	10158	35743	18555	13641	21537	15676	24929	21350	96683	24225	26836	19132	17310	56067	46593	19372	4578	0	0	37204	43205	0	26698	14743	43494	37190	33887	0	64278	52946	23492	25249	16193	14059	28723	34795	76527	47084	15892	61894	27547	12233	81037	140912	133717	23425	16645	13843	12723	21810	0	14117	36819	28863	31095	26184	15992	35477	57580	26854	31144	21285	25948	22107	27233	27576	31014	33446	49168	0	41522	40806	36887	57625	49920	22945	17700	25425	20164	20769	36797	0	19306	71487	Phytochemical	0.36363637	1.0909091	0.0
24	C22 H24 O8	417.1544	417.1548	-0.10683851	417.15436	92324	88170	94321	93888	116010	75082	27387	56707	110467	229973	99896	37405	188576	68416	59720	62919	35216	124450	141492	193558	185842	95832	73476	61091	48856	197609	31818	89999	44300	32692	46481	50856	61649	45548	242255	43329	72273	45577	40003	117518	101327	40374	5425	2036	0	110175	103174	2882	55486	40468	91328	96060	80837	0	120601	100765	53622	57385	44754	30623	64986	88441	155520	103781	38767	128841	63423	40596	193326	301345	268822	50288	42244	36652	31196	43841	0	42880	94954	62071	76523	79585	36555	84491	138935	70466	75282	44449	53983	39771	57859	67035	86401	87980	110041	2500	82879	90583	84892	112246	105890	55900	35847	65825	67688	53030	85405	0	45293	161304	Phytochemical	0.36363637	1.0909091	0.0
12	C22 H24 O8	417.1544	417.15497	-0.08076453	417.15436	193708	184684	189951	188213	82572	71038	137840	177474	110053	473956	171719	108122	80035	55646	107326	183143	144261	83517	129127	526608	499212	198396	119018	189166	84609	567970	144774	160999	123872	152574	140599	149904	139015	116419	523368	134750	122155	108085	157039	390642	279134	69574	3869	1005	1439	185661	244583	1693	163975	172119	182890	195894	78053	1620	113377	83652	68272	176374	143860	183354	228668	137209	120023	101498	52946	96822	85155	169618	322740	671108	752308	130935	134489	146675	131226	144429	934	108018	153367	102221	151255	129363	122867	281538	116523	70723	140827	64414	77342	203950	113125	140042	151525	122308	159443	2480	196383	180000	111972	96496	98145	159272	97790	184505	143704	114578	87528	1453	119370	119944	Phytochemical	0.36363637	1.0909091	0.0
10	C22 H24 O8	417.1544	417.15497	-0.10541701	417.15436	63380	57970	54805	53787	29705	23114	47448	69247	37786	172340	47536	46100	31198	21359	36033	70730	52808	29340	40220	102630	88888	64283	42587	73646	36819	187338	46996	42309	51025	52010	50390	58046	47808	43544	173408	58275	44669	38632	62121	134400	161466	23591	2227	0	1321	53398	79378	1212	58411	53982	59602	62591	26223	1019	40505	29825	25425	57041	50666	61491	72744	47362	40047	35283	24024	34208	24230	64750	101012	217446	265394	46325	46221	59619	51338	61423	885	38212	62108	33108	58520	54272	51062	48506	36072	25589	53819	24242	31846	66420	41614	45708	60737	42795	107784	2446	50476	66388	34984	30465	32055	47420	43704	62979	59772	40294	30844	992	45478	33177	Phytochemical	0.36363637	1.0909091	0.0
14	C25 H24 O2 N2 S1	417.16312	417.16397	-0.4199584	417.16296	218544	218404	187864	192094	116296	98988	162964	211100	109966	357584	186330	115930	121706	88452	142266	205818	206482	147260	174420	374470	403706	373704	162404	263974	173950	272260	130330	237966	171635	158608	162036	209858	249792	177190	440212	177836	220692	148020	195200	349432	359402	113194	0	0	0	277334	298978	0	196300	161038	201628	176972	115028	474	133026	90464	78190	219594	402160	182668	270734	258054	112938	106510	69486	129188	127202	212564	258730	433000	326154	173648	147452	155924	156786	167697	0	124584	172042	190342	139077	179160	153526	220826	94456	81468	180544	123532	132204	266520	270992	236426	327924	220400	321460	0	218602	210962	77230	90952	85744	203440	117368	266698	188702	201866	80204	0	161068	135128	Organosulfur	0.08	0.96	0.08
10	C21 H24 O7 N2	417.16562	417.16617	-0.16367184	417.16556	91216	90457	82330	70822	47267	43419	51766	83422	49673	185480	105898	48438	54499	33396	48875	71216	67853	56295	77413	194796	198999	137673	60101	96418	57811	117380	47451	98408	69872	65779	62771	75126	84049	64651	216929	62717	83419	47070	71653	172730	152905	39414	828	0	0	107803	125491	0	84744	58541	97176	88852	47312	0	61303	33417	26793	82632	45279	64317	85844	89941	46068	42527	26991	56325	45254	82568	128779	206854	187042	74436	60333	58077	58214	58698	0	44355	66504	89300	57938	70511	51973	92882	52681	29636	56141	49471	41613	108356	95884	94158	118677	97368	171905	0	92980	88275	30340	39916	36304	84878	42015	93377	79620	79053	31478	0	52401	63303	Phytochemical	0.33333334	1.1428572	0.0952381
4	C21 H24 O7 N2	417.16562	417.16635	-0.11330823	417.1656	11087	11126	8860	9049	6900	5310	5077	8288	8296	17380	12062	6277	11597	4034	7250	9150	9074	7613	9068	19907	26912	18072	8541	9529	5288	14201	5368	9356	7007	5892	7035	5577	10881	5717	23566	7323	9750	6792	12887	16842	20676	5129	0	0	0	14198	23135	0	8555	6693	10318	9561	6557	0	10939	7844	4289	9709	5189	7713	10175	11236	8451	7477	3686	9953	4292	7956	17892	19002	22949	6108	6171	6676	4468	6913	0	5137	8471	12858	7284	8748	6104	9973	7329	5162	8030	4722	5008	11994	8829	10852	14660	12376	17841	0	9742	12895	6692	7600	8545	8754	4419	11160	10181	7955	5247	0	7408	8081	Phytochemical	0.33333334	1.1428572	0.0952381
6	C21 H24 O7 N2	417.16562	417.1663	-0.12255267	417.1656	37366	36359	32374	38751	19021	18662	18325	33174	22647	83217	38161	18207	29919	12711	19154	35654	23812	28603	29837	81698	98656	57304	21222	43769	18699	40820	16262	30344	24694	25846	25264	29808	38157	24478	94985	28395	30418	20019	30959	53377	69654	17703	0	0	0	49744	59136	0	34628	26241	38152	39524	19926	0	25773	17233	11809	33710	14289	25641	34686	37909	29636	22569	8588	24980	20862	32750	47761	74274	78857	25839	23176	23432	18022	20303	0	17735	24488	42939	18117	24004	16822	38490	20294	14379	23232	21876	18122	41241	33618	38785	55249	46402	62842	0	37186	32989	15468	18027	21398	32920	17550	39953	26540	25232	18422	0	19288	25206	Phytochemical	0.33333334	1.1428572	0.0952381
26	C26 H24 O5	417.16965	417.1701	-0.027858142	417.16965	3724	0	2313	2587	0	0	0	0	0	3105	7188	0	0	0	0	0	0	0	0	0	0	3748	0	0	0	18959	0	6867	0	0	0	0	2379	0	1983	0	0	0	0	2853	5454	0	0	0	0	0	0	0	0	0	2808	2251	0	0	0	0	0	0	0	0	0	2978	1971	0	0	2776	4445	2482	23213	7532	19119	0	0	0	0	0	0	0	1968	0	0	0	0	4121	0	0	4207	0	0	2447	0	1562	0	6130	0	0	0	0	0	3356	4436	0	0	0	0	0	0	0	0	2636	Phytochemical	0.1923077	0.9230769	0.0
24	C26 H24 O5	417.16965	417.17004	-0.18543541	417.1696	6220	7211	6324	4616	8765	2066	1512	4635	6737	6869	20515	3101	4207	2803	1750	4185	5359	3908	3728	8871	11295	7281	0	5048	3964	53250	0	18699	1986	3633	2305	2696	3183	1008	11128	3332	3094	1198	3993	6703	17692	3586	0	0	0	6986	9383	0	2501	2818	5733	6762	5092	0	2628	3307	3635	4449	2427	4699	2900	7933	5052	5139	2309	5295	7568	4858	54325	28086	50813	0	0	0	2415	3784	0	2142	4042	8172	4835	6084	3388	8372	11391	3465	4423	6659	4181	5564	2752	3028	3157	6493	3147	0	6154	7280	7576	6272	6368	4669	2161	4662	6013	2824	5547	0	2722	3333	Phytochemical	0.1923077	0.9230769	0.0
26	C23 H28 O7	417.19077	417.19125	-0.124864794	417.19073	90436	83265	84245	85897	94644	66664	33197	75775	95636	138770	86176	49509	136172	64238	60036	89573	46097	118573	134900	175076	178603	92299	64634	82450	61401	187678	32959	87402	62917	71337	68317	58336	92054	64114	161052	76021	95647	50679	55742	108458	96681	54066	4912	0	0	80554	79275	0	74843	63085	86909	84946	68136	0	104439	102275	49538	90930	53559	40081	87042	67691	113166	85853	36171	97655	77138	61508	186659	259758	275309	63798	66719	68583	49949	65081	0	53489	94726	51603	67205	53634	47055	75609	100570	48820	88146	55556	59636	56696	78999	71087	101329	57242	84891	0	86750	95250	65094	102294	113199	85712	47428	75284	55139	61828	69614	0	49015	112269	Phytochemical	0.3043478	1.2173913	0.0
10	C23 H28 O7	417.19077	417.1913	-0.18690723	417.1907	26265	27289	17760	23562	10177	9808	24651	30686	15675	19839	13660	19513	9773	7294	18168	29980	25454	8326	15671	28211	23603	24965	19135	21501	18831	24532	24806	12278	20454	23857	24832	25783	22910	15250	26640	25361	22455	16972	33076	22989	21975	12044	2118	1138	1206	25070	23490	1764	25242	23955	26696	23368	11150	914	16496	13588	11396	25627	24312	24195	27844	10459	12251	11600	9327	8587	10798	31020	24109	28780	35401	20766	24706	29271	24789	24306	1086	16868	32583	12556	24703	20301	22074	14852	16725	10287	26810	6407	12602	33387	17002	19615	28259	15807	20745	1961	24877	20116	16436	12601	17734	19560	20964	23868	21900	16478	13748	1098	20384	8381	Phytochemical	0.3043478	1.2173913	0.0
28	C23 H28 O7	417.19077	417.1912	-0.14952236	417.1907	34408	32351	29506	25978	37178	20637	16569	32371	30262	54780	30776	19151	50884	23202	22461	31043	21360	38033	47729	52594	62075	30784	27222	32597	19102	71386	16723	33712	27638	27635	22720	26320	34907	22896	55567	31726	30057	20723	22723	33033	33772	18106	3085	1617	0	26138	22453	1839	24617	29994	28973	30612	27770	0	33285	27117	15388	30261	18730	14076	32018	18928	39578	29009	16352	42714	24898	25118	69988	94369	96342	23396	18829	19741	18877	25856	0	17830	37286	21066	25474	15060	19333	24534	37623	19476	33907	21662	19539	23854	25099	32157	37244	16191	26689	1306	30570	30213	22524	37151	39958	37664	20014	34323	15857	23953	22497	2232	17458	39319	Phytochemical	0.3043478	1.2173913	0.0
12	C23 H28 O7	417.19077	417.19135	-0.13580233	417.19073	94618	96740	90398	93500	40046	30071	86232	89216	46144	80248	72310	62679	37496	22998	57985	116843	91383	38151	57284	96460	79033	88252	69668	114125	56255	87005	87742	53089	71050	86346	64599	90804	68136	49295	66289	74293	66392	70137	93630	64191	97981	37190	3171	952	1368	76674	104847	1417	87582	94187	91952	101567	36613	1093	59717	41581	34989	95520	65102	80977	128686	44017	55197	45293	28033	36685	35467	107669	108648	104454	128664	53812	58197	87291	98564	82219	1056	52865	94860	38413	72035	59667	67865	45454	56102	36751	76605	23463	40998	149219	76431	79190	88869	45220	67722	2379	107957	97675	45494	53417	54726	80831	57996	95204	53719	70929	45616	1184	70190	47119	Phytochemical	0.3043478	1.2173913	0.0
4	C17 H28 O8 N4	417.198	417.19864	0.06252976	417.19803	1543	1530	1430	1959	768	1184	0	1623	858	0	0	413	866	749	846	1532	1295	1337	1188	0	0	2284	1876	2719	1112	0	0	0	0	1115	1120	1036	1169	1232	1612	1262	1847	1392	3407	0	0	0	0	0	0	0	0	0	1252	0	1800	1340	648	0	1162	429	559	1971	0	0	2357	0	0	871	0	1294	547	0	0	0	0	1133	745	802	0	0	0	756	1400	20807	931	437	455	0	577	798	1383	0	525	2478	26689	9378	4588	3841	0	0	1472	1693	1209	650	0	1317	842	0	0	1791	916	0	785	1541	Peptide	0.47058824	1.6470588	0.23529412
2	C17 H28 O8 N4	417.198	417.19873	-0.047918294	417.19797	5351	5575	6081	4963	2703	15674	2206	4130	2447	724	4763	2301	5117	1503	3451	874	4944	3140	3226	0	660	3286	3326	3810	1614	0	0	23510	6120	2223	4080	3528	4434	4833	1562	3715	3968	2309	3933	0	0	0	0	0	0	1426	382	0	4069	1861	4170	5362	2137	0	3210	1358	1313	5696	752	605	1513	0	3513	3348	0	4181	2626	6464	0	460	0	4227	4217	3222	353	3632	0	2774	2342	99142	2493	0	632	0	1924	1552	3305	3124	3578	10780	73819	31773	7759	13080	0	0	3693	3953	1694	1859	1519	2524	2356	1252	0	6073	1959	0	2132	5608	Peptide	0.47058824	1.6470588	0.23529412
6	C17 H28 O8 N4	417.198	417.1987	0.12977594	417.19806	1593	1342	2077	1686	1095	1444	1173	1812	635	0	0	792	1789	0	2590	2432	2046	663	985	0	0	1225	1699	1594	2301	0	906	7493	1501	0	1371	2176	0	1466	851	1178	2252	3056	2224	0	0	584	0	0	0	0	0	0	1765	1295	1639	1744	746	0	0	567	946	2302	0	0	1375	0	0	0	0	1774	1300	2698	0	0	0	1681	746	1525	0	1308	0	1008	2507	10997	0	0	616	0	0	0	2078	0	0	3486	34734	13548	4112	2980	0	0	2789	1076	620	0	1874	1302	960	0	0	1693	528	0	1871	2966	Peptide	0.47058824	1.6470588	0.23529412
8	C22 H28 O6 N2	417.20203	417.2026	-0.15053815	417.20197	28882	25700	29577	25285	10587	11036	16768	27618	12612	49742	20701	17177	11431	7065	20802	32887	21950	10655	16610	58948	56655	40456	18192	36129	21375	28878	17978	25616	24782	20645	22784	30251	33059	26956	52339	26513	33926	15196	26408	48259	37415	11375	0	0	0	35647	28791	0	29822	26782	26325	32167	12257	0	12533	6868	8184	28281	2575	9004	27222	22636	10807	11896	5447	13829	16202	31070	23970	51105	43403	27145	25069	21063	21287	23534	0	17241	21496	21295	15436	9358	8826	27301	6940	6888	21062	14325	14369	39190	41779	32135	52556	23910	45400	0	32227	23994	7396	6822	6018	27486	13731	39227	12727	29790	7281	0	18193	11808	Phytochemical	0.27272728	1.2727273	0.09090909
12	C22 H28 O6 N2	417.20203	417.20255	-0.17595546	417.20193	32214	31722	42647	35696	18462	18198	33643	51209	15158	47397	26129	24617	9663	10537	33584	41954	36448	17190	24466	75810	63774	41616	28457	45078	36778	36320	18586	37723	48182	32197	40236	43739	62424	41650	68775	44683	45473	24697	40825	70861	50927	24123	0	0	0	46087	30284	0	42883	41102	40309	35753	20811	0	16317	7132	13504	51657	10738	21726	45811	31258	11360	14910	8669	22578	27196	46529	26550	74608	63747	39727	37116	39945	27904	36012	0	32978	26590	23802	24451	20922	16972	39044	11819	10214	27741	20498	21774	70637	49751	41079	60936	26913	53715	0	35476	35787	10906	8823	8357	47876	22323	47768	0	50221	11428	0	27586	17384	Phytochemical	0.27272728	1.2727273	0.09090909
10	C22 H28 O6 N2	417.20203	417.20255	-0.18460366	417.20193	32153	33002	33661	31173	13294	14542	27007	46593	15253	62227	35292	20129	13041	10452	26195	43344	32202	15104	24428	71205	66349	45946	29223	44371	32863	40334	25999	28338	35925	36805	31868	34760	46115	30601	67312	40410	42818	21235	34840	55938	40737	18909	0	0	0	38653	34061	0	47010	31998	38387	30026	17756	0	17037	7571	11503	36423	4786	12880	33090	25349	16107	15105	9613	14534	15915	37880	31009	57332	51734	36577	32874	26159	25312	28489	0	21487	29967	27942	22306	15019	13647	30499	8087	12361	23658	20201	17530	47135	51552	27961	50430	29830	54716	0	33916	31348	10378	8856	7408	45353	17972	46113	0	34740	8109	0	26401	9973	Phytochemical	0.27272728	1.2727273	0.09090909
6	C22 H28 O6 N2	417.20203	417.20267	-0.15482412	417.20193	17294	16747	15175	19207	7833	9568	12272	23519	6851	33222	13068	10544	7278	4754	14070	27871	15411	10483	14073	40025	37315	24649	11856	29468	18117	15999	10087	14255	21472	16231	18378	23566	19753	14529	39220	17361	23814	11857	17289	22807	22368	10974	0	0	0	22422	20677	0	24859	18615	18150	18643	7758	0	12295	4129	6184	23517	2892	5052	23925	16904	7005	7833	3885	8488	11799	23264	15431	34193	30833	20481	15072	16909	12756	14320	0	9106	13440	16958	11103	5651	7339	17367	4025	5182	14508	10668	11247	29560	19987	20078	31912	19446	30639	0	20391	17775	4104	4620	4798	21082	7880	22610	7006	19755	4159	0	14733	7289	Phytochemical	0.27272728	1.2727273	0.09090909
22	C22 H28 O6 N2	417.20203	417.2024	-0.26686928	417.2019	11451	14129	8704	8418	7551	8229	6031	6088	3033	9856	4818	5812	2440	5369	8199	12115	8325	8126	8989	10785	9283	28457	8230	15190	9692	6199	5725	6205	9051	7384	10266	9141	10315	10943	11801	8396	11746	7798	7313	12538	9105	9063	0	0	0	7662	6639	0	13949	6970	6947	8865	8793	0	6431	2597	6480	10673	4733	6181	14910	10169	4320	4214	7607	5936	7587	9866	5156	8291	6325	9945	8669	6193	6627	8011	0	7297	13230	7908	5307	5253	5096	6937	2656	20328	14093	16422	7966	59073	22768	26747	68090	8989	8179	0	10939	8757	1575	2444	3644	11626	4967	11455	3889	28149	7149	0	9478	6307	Phytochemical	0.27272728	1.2727273	0.09090909
22	C27 H28 O4	417.20602	417.20648	-0.13630055	417.206	5827	8234	5532	7278	3627	4744	3506	6811	4961	2130	8971	6843	3285	0	9812	7701	9519	0	4983	5158	5875	7118	7088	8735	6069	26143	7452	4850	6717	7604	4439	5079	5036	4091	3325	8003	8155	7615	9805	4894	9358	3973	0	0	0	2672	3899	0	5044	9987	5223	4730	6052	0	2550	2621	3100	7784	1278	5003	5988	2356	2477	3631	2826	2961	4789	10966	16553	12809	25588	4183	4129	4180	5207	6862	0	6040	10038	3483	8231	6338	3349	3038	6584	3128	10452	4846	4576	8458	5162	5649	7852	5459	4400	0	5530	6556	5645	8175	5336	8530	5682	6068	3489	9535	3452	0	10446	3493	Phytochemical	0.14814815	1.037037	0.0
6	C18 H32 O5 N4 S1	417.2166	417.21732	-0.2610406	417.21652	0	0	0	0	0	2661	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5450	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	526	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21576	0	0	0	0	0	0	0	0	0	0	26490	5546	0	1685	0	0	0	658	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2777778	1.7777778	0.22222222
8	C18 H32 O5 N4 S1	417.2166	417.2171	-0.34690765	417.21646	0	0	0	0	0	2780	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5396	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24470	0	0	0	0	0	0	0	0	0	0	45885	0	0	1893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2777778	1.7777778	0.22222222
16	C24 H32 O6	417.22717	417.22763	-0.2030201	417.22708	138032	114144	121760	115450	86941	56605	121679	124038	90283	85764	78449	86355	73655	49424	95805	163154	205531	67410	110010	92729	103216	91272	99112	119275	92679	124649	130403	61982	106305	126863	101115	126482	121478	78800	87472	128166	104879	88174	223871	63622	100944	66087	3003	982	733	69536	76094	850	136152	114540	129200	112107	70976	876	94170	93528	71229	144373	67947	113468	125104	44823	89751	83330	53307	75784	67271	223101	105864	126525	153528	67414	86578	117083	177677	113190	404	77899	162152	72048	107648	61980	90364	60308	123831	78962	166811	63876	81015	222482	98645	96156	180701	67497	80887	1345	114894	113283	76692	122190	134875	141246	79659	91364	42681	114764	100153	912	119223	76596	Lipid	0.25	1.3333334	0.0
12	C24 H32 O6	417.22717	417.2277	-0.19932179	417.22708	14373	13948	8639	12485	4272	3562	12147	11798	3587	3934	6650	6953	2331	3086	7483	19395	18911	2842	6726	7775	3524	8657	8262	12208	7970	5010	18314	0	8257	13541	7605	13236	10143	7093	5462	13183	10410	7978	22340	5760	7945	5038	592	563	340	5505	10017	522	14504	14226	14577	11043	4809	0	7535	6166	6497	13444	4817	12732	0	3776	3343	5054	4313	2235	4667	22587	0	3964	8075	6947	7432	14796	25252	15435	257	6279	12283	0	11171	5266	9878	4980	10605	6228	14837	2894	5339	23548	11499	8157	10201	2786	7894	0	16392	11446	6047	5546	8586	17319	4243	9941	0	8720	6247	374	14090	4005	Lipid	0.25	1.3333334	0.0
20	C24 H32 O6	417.22717	417.2276	-0.11497322	417.2271	680791	729653	677450	629605	676995	378278	546425	638191	605979	775572	656435	468437	550178	436332	561567	797226	831451	570896	856177	1019634	1033104	576057	510724	640886	476782	1526705	524213	611616	644757	596915	502888	651948	752926	501118	798291	619937	720551	501202	812009	563344	725665	449136	14448	4068	1304	421593	518348	3928	658367	532286	684288	714602	534651	3457	637679	634355	436966	712092	450992	486539	645093	411727	623815	561325	367114	565929	465528	868815	1141101	1386337	1818197	441347	530700	599240	814893	626517	1137	429187	773094	438012	541621	297566	537350	549010	774446	490699	826844	471322	532415	818870	658210	639756	777519	432149	517548	5664	669416	714018	522645	739844	752592	782413	442938	697467	317395	592532	640488	2989	548946	651722	Lipid	0.25	1.3333334	0.0
26	C24 H32 O6	417.22717	417.22763	-0.10996356	417.2271	254299	250036	240944	233235	218544	143808	114414	250680	229162	319378	269340	124560	318460	172679	205171	226288	179837	284639	373761	486072	447674	250860	179946	249492	196631	560439	110577	295956	256700	228654	227539	219457	350840	187010	452221	262186	592745	159984	191345	300025	249000	155283	8751	0	0	220298	167615	0	241127	190933	257700	236168	192415	0	297804	255413	128628	249667	217458	120585	247416	201954	241752	202070	108518	254010	214511	170063	507218	699213	648488	195190	192241	239324	192359	223579	0	173248	218127	195321	159033	143890	175057	220444	241718	169832	222599	153596	174867	189843	245278	265007	312331	169247	253016	0	241166	269499	149735	247994	256811	630975	136097	275559	178726	205998	197875	0	163041	226608	Lipid	0.25	1.3333334	0.0
22	C24 H32 O6	417.22717	417.2276	-0.09826679	417.2271	1041851	1114064	984123	1042211	1111800	690405	653926	918236	946909	1488550	1234677	617920	871875	627060	784504	1046503	935323	1096351	1254043	2003063	2034667	915844	788443	964590	754860	2644305	645373	1199933	1006769	880563	811226	981196	1144028	843988	1601937	1004304	1126284	706243	966379	1153610	1165167	675111	28505	3514	2475	777132	769196	5737	966192	836101	1020127	1004854	807722	3900	1110319	958650	597887	1041990	678712	650993	1027836	780786	1000328	882337	508758	935157	762537	1043395	2151139	3058085	3137890	719607	731634	818984	806248	891719	1713	674336	1051179	624695	792650	567482	736015	845859	1111895	712273	1034374	695676	834490	949133	1012695	1071573	1050301	663537	949797	7239	966485	1095383	738889	1061952	959937	1265586	611780	1028924	548131	882525	894014	3943	741023	1083052	Lipid	0.25	1.3333334	0.0
18	C24 H32 O6	417.22717	417.22763	-0.15213244	417.2271	322657	336737	290270	286283	257167	157521	276901	301284	228835	284576	245958	229981	232984	163676	247950	418164	501269	229284	349581	350805	357492	248692	259210	308424	217075	481840	297600	229894	305519	289185	247493	318948	340399	240264	261987	319985	299091	252222	503021	218611	285759	204351	7157	1057	597	182832	211131	1396	301762	270756	323240	307574	227716	1888	272532	266769	193189	363194	189319	252068	321519	146921	260423	210784	173043	217278	211731	548388	384621	428053	574841	185135	202097	293063	454676	328469	549	184832	400296	212391	277108	165910	238677	177832	347722	232053	415263	203463	219388	468740	295640	308105	373971	167208	217322	2791	307238	297883	225203	339828	372671	346311	209025	279549	139986	271905	237718	1117	273351	224151	Lipid	0.25	1.3333334	0.0
14	C24 H32 O6	417.22717	417.22766	-0.22397663	417.22708	38360	36954	40760	47608	19408	17054	50477	50068	24080	14025	31230	38860	17503	13440	36110	67471	73286	13972	31358	31978	27669	34976	30827	50089	37074	25469	56738	21339	33786	45392	34258	47336	38380	25833	20293	44669	34535	40541	78888	14908	34911	25616	0	477	461	19506	33837	664	47896	45117	34862	41357	22548	732	21727	25584	25383	55807	26876	48775	39455	13244	23921	22327	19506	22204	19910	82626	27782	26335	37408	22979	27512	46655	68242	44329	344	27137	56075	21001	44338	25178	41462	21475	36554	22624	67186	18783	23922	113805	31816	29277	46727	17175	24266	617	44296	37960	23030	36276	36045	43527	31035	43102	18849	33008	27782	368	51994	14256	Lipid	0.25	1.3333334	0.0
24	C24 H32 O6	417.22717	417.22757	-0.080280446	417.22714	834247	869232	772866	821987	771797	534841	411720	697868	743827	1346126	969984	400015	878215	470366	567665	739558	1299465	880773	1214449	1727420	1620660	750323	553932	724791	536374	1958143	373607	957144	716564	648352	620763	697884	943422	648927	1567536	765848	1229455	481034	1172406	1032798	837284	447795	25199	4458	0	679215	523723	6036	751331	567146	796743	801938	639097	9434	950010	705034	405923	785153	621884	365026	784437	681686	827554	674227	311850	784806	569312	699140	1604083	2413635	2282579	601408	623384	638944	637721	653819	0	510917	720736	485627	543336	437063	529387	708355	750523	459544	677240	456283	600827	618730	846614	823385	896903	548298	851148	7979	807589	849112	486406	712617	699075	1272469	408398	859663	454971	689371	575337	5663	509079	861029	Lipid	0.25	1.3333334	0.0
28	C24 H32 O6	417.22717	417.22757	-0.19170056	417.22708	38753	35597	32164	36755	45560	22783	30753	34681	38485	45526	35271	18799	49801	32407	21122	37802	33741	33949	56318	52120	54598	35589	29679	36833	30735	86017	27417	38039	37182	43777	31745	33517	45020	30075	56979	40492	44528	23080	36414	37273	43713	26591	3129	2519	0	26557	20882	1469	37648	36546	37002	30301	35989	0	42627	39666	19047	43958	25390	17406	41148	23796	41110	31056	25833	49529	37353	35977	74908	89023	116786	25786	26172	29141	21911	30888	0	22916	40054	27932	25769	19602	25087	33531	42863	22487	46498	21429	26205	38167	39659	41356	49403	27765	30944	2506	34389	36442	28798	54555	55061	46970	21075	42596	24574	37034	32963	2406	25133	35715	Lipid	0.25	1.3333334	0.0
6	C18 H32 O7 N4	417.23438	417.23505	0.020772884	417.23438	47556	49373	49993	42715	487	17503	514	1613	0	5907	36910	601	1143	0	1485	1715	0	1016	0	0	0	2951	692	2717	1145	0	1025	285911	2543	680	1088	0	3764	684	0	0	2544	764	0	0	0	2572	0	0	0	0	0	0	1165	585	46208	48541	1179	0	0	479	0	2342	0	0	1563	0	0	0	0	920	0	0	0	0	0	1501	677	0	0	0	0	989	1085	1534129	0	0	0	0	665	0	1609	1077	913	2442	4244183	1963563	2033	231949	33475	0	49858	41822	0	0	0	1815	957	0	0	949	0	0	1003	1006	Peptide	0.3888889	1.7777778	0.22222222
10	C18 H32 O7 N4	417.23438	417.2348	-0.18550625	417.23428	10201	7503	10959	8172	0	1131	1022	5647	0	0	11228	0	0	0	0	1752	1251	2105	1294	1329	1481	1519	1004	0	1242	0	1531	53569	1718	4103	3164	0	1552	1299	1654	3172	0	1053	1616	0	0	0	0	0	0	0	0	0	1277	6534	12182	7175	635	0	0	0	0	0	0	1790	0	0	0	1133	0	0	0	0	0	0	0	0	1327	0	1149	1071	0	0	0	456818	0	967	0	0	0	948	1251	0	0	1180	980891	316568	2703	63062	10246	0	10608	9429	0	0	0	1890	0	0	0	2233	0	0	1355	0	Peptide	0.3888889	1.7777778	0.22222222
4	C18 H32 O7 N4	417.23438	417.2351	-0.020209702	417.23438	20210	20828	23668	21418	968	29195	0	564	783	1747	19655	457	1435	0	886	3660	0	3114	745	0	0	1733	0	2238	1169	0	732	194646	1427	0	851	1082	3960	724	0	786	3562	688	1351	0	0	2840	0	0	0	0	0	0	1597	0	20208	20216	2242	0	496	268	386	2990	0	0	1953	0	957	373	0	1864	559	0	0	0	0	936	672	0	0	466	0	502	585	1608562	0	0	245	0	0	811	1088	1372	767	946	1996161	853235	1514	132385	19540	0	19642	24773	532	0	0	1499	1132	0	0	957	369	0	691	874	Peptide	0.3888889	1.7777778	0.22222222
2	C18 H32 O7 N4	417.23438	417.23514	-0.030014098	417.23438	4123	2696	4033	3649	566	15544	1152	2493	919	0	3378	925	1582	478	2042	721	1181	2747	1071	0	337	1310	876	1847	1118	0	0	79892	3006	1584	2473	1805	3649	2957	435	1419	2901	2014	2150	0	0	0	0	0	0	533	253	0	3102	1063	4342	3489	1229	0	1043	284	0	3525	0	0	1373	0	849	398	0	2098	883	1769	0	0	0	1889	2028	2388	0	1462	0	1797	1378	980311	947	0	0	0	632	888	2633	1205	947	2518	117495	61764	3830	57148	791	0	4002	4902	1014	341	873	1638	1249	340	0	1871	735	0	1517	1942	Peptide	0.3888889	1.7777778	0.22222222
12	C18 H32 O7 N4	417.23438	417.23474	-0.17003092	417.2343	0	0	0	0	0	0	0	0	0	0	3923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14634	0	0	0	0	0	0	0	0	0	0	0	0	0	0	896	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	132157	0	0	0	0	0	0	0	0	0	0	160183	58980	0	24698	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3888889	1.7777778	0.22222222
0	C25 H36 O3 S1	417.2458	417.2464	-0.34922585	417.24564	0	1645	1565	0	0	29512	0	0	0	0	1850	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	96585	0	0	0	0	541	0	0	0	0	0	0	0	0	1535	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	335440	0	0	0	0	0	0	0	0	0	0	173096	16195	0	2472	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.12	1.44	0.0
2	C25 H36 O3 S1	417.2458	417.24606	-0.5900914	417.24554	1751	2061	1607	1847	0	107284	0	0	0	0	5235	0	0	513	0	0	0	0	0	0	0	0	0	0	0	0	0	36541	519	0	0	0	732	0	0	0	0	0	918	0	0	0	0	0	0	0	0	0	0	0	1226	1616	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	787	0	0	0	64709	0	0	0	0	0	0	0	0	339	0	154230	38955	0	21350	284	0	1535	2207	644	0	0	0	0	0	0	0	0	0	0	881	Organosulfur	0.12	1.44	0.0
12	C22 H32 O4 N4	417.24963	417.2499	-0.004189278	417.24963	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17564	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	270670	0	0	0	0	0	0	0	0	0	0	16805	4122	0	7019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.18181819	1.4545455	0.18181819
20	C20 H36 O7 N2	417.25952	417.25952	0.27998117	417.25964	0	0	0	0	2073	0	0	0	3681	0	0	0	0	34538	0	0	0	0	2011	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2711	0	1405	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3516	0	0	0	0	0	0	0	1797	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.35	1.8	0.1
22	C20 H36 O7 N2	417.25952	417.2599	0.21731478	417.2596	1414	0	0	0	3737	0	0	0	2141	0	0	0	0	48898	0	1731	1876	0	0	0	0	0	0	0	0	0	0	0	1441	0	0	0	0	1374	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1912	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1987	0	0	0	0	0	1340	1713	1692	0	0	0	0	0	0	0	0	1364	0	0	0	0	0	0	0	0	0	0	0	0	1456	0	0	0	0	0	0	0	1382	0	0	0	0	Lipid	0.35	1.8	0.1
18	C25 H36 O5	417.26355	417.26398	-0.19539098	417.26346	16002	23073	17670	16011	10749	7365	27173	24785	14144	3638	8592	21985	5446	13386	20044	24364	66291	4163	21206	7808	7102	8916	13220	17565	18880	9647	36399	13752	20443	27200	15335	23664	20415	9659	8151	28889	15236	22993	61447	3489	10656	12658	502	0	0	6770	7014	0	19843	20683	20124	16166	13862	0	14074	17622	14534	30386	10708	16414	21350	4086	13160	12905	13516	8223	15467	70133	6389	6922	18575	5766	11967	24648	50780	25449	0	11454	29866	15012	19135	5905	13909	10312	34015	21062	37062	8864	12414	58827	10620	12161	15666	5782	6706	0	19342	18385	11575	32594	38503	35486	11947	11945	6349	16030	22337	0	27303	6058	Lipid	0.2	1.44	0.0
22	C25 H36 O5	417.26355	417.26398	-0.1974134	417.26346	219774	228432	193925	205066	195913	124741	525873	229006	172157	152497	192524	148949	124020	150720	171611	298922	376361	160597	237603	198839	195506	133196	149227	171728	186256	291855	1049438	182342	238524	248261	210094	263785	241466	168018	159411	284497	214151	167936	394283	116294	178255	141666	5119	0	314	103313	143900	0	242975	210227	224236	193356	170895	1213	206567	192550	145156	282333	107484	154110	249163	91908	165461	152610	145906	168515	175424	415436	232248	256687	329174	129240	181817	244375	287329	277326	297	135975	243269	119057	180167	99217	174136	133468	272219	192003	305310	142881	165822	456867	191667	199113	196191	118819	132516	0	194160	215442	146303	245190	240182	315262	143582	182044	96866	197898	217451	0	215346	143643	Lipid	0.2	1.44	0.0
26	C25 H36 O5	417.26355	417.264	-0.1429645	417.2635	310953	307500	310950	289518	308805	159172	298729	293309	288859	287821	412856	170605	270512	209413	257816	346847	310580	281546	503511	453910	426579	314972	200569	268750	325338	750622	284863	452804	367360	352834	250391	339523	409021	250733	431990	414082	392284	229488	331089	348824	348513	216425	8839	0	0	245130	218444	0	320123	270138	329450	295889	282346	0	404409	351334	185366	393302	248141	190093	330457	232582	265260	264028	169532	282515	340738	382383	577835	614102	614005	198267	249031	331423	272418	317422	0	188721	326132	293876	191340	213228	295280	320231	374783	279046	414569	226582	303588	438065	366678	395486	419704	282178	304481	0	312974	339733	215985	421458	442622	503919	191176	384364	245736	270055	307909	0	295162	233147	Lipid	0.2	1.44	0.0
20	C25 H36 O5	417.26355	417.26398	-0.21883832	417.26346	77135	84407	76064	71510	54170	30809	100301	83767	61680	43319	47145	66042	50636	55215	87576	116133	188575	35944	91090	47842	51169	41353	48448	58087	71446	67187	106226	49095	84438	92520	58242	91462	83194	61328	43464	98160	71265	90661	183967	22616	52514	55964	764	0	0	29338	48366	0	88590	72647	74074	67327	59438	465	83623	83723	59413	92674	34018	59158	78909	21293	59996	59867	63004	53286	51064	190919	41339	56256	92006	41961	53288	84348	165344	82534	0	50341	102528	51913	65766	34119	62248	36278	110669	77851	139756	46019	58609	168836	71717	60323	89858	34144	38034	0	72389	82833	57808	113421	123819	110790	53669	64197	26702	72160	80522	0	83288	46027	Lipid	0.2	1.44	0.0
24	C25 H36 O5	417.26355	417.26392	-0.17558588	417.2635	383331	410198	365578	375582	392728	207130	434421	334690	336743	374901	438871	221756	303358	274900	292552	483071	502614	328708	624443	499242	479323	280284	249831	302539	337508	810695	414160	440167	375412	372787	288925	412795	478904	318441	443908	470066	436479	270620	546022	338611	387526	241856	10724	2775	0	237218	270703	1990	386580	304549	379007	399186	344424	0	450591	394708	235593	443043	249071	232822	404255	234194	332083	299512	234638	339433	331816	546188	565061	650200	788221	221651	283885	369644	399592	362272	0	225499	389740	283297	289925	214704	312643	315848	478938	353715	472234	268105	337628	588023	414438	385365	412288	252330	326120	3152	376582	410509	272970	453310	472500	580195	239149	405333	209643	342216	370318	0	361486	308060	Lipid	0.2	1.44	0.0
28	C25 H36 O5	417.26355	417.26395	-0.18827225	417.26346	54660	51943	54635	49782	58149	29860	64709	47620	54788	42654	61202	23948	54822	42652	36861	54994	54469	49938	85878	62516	52573	47395	35771	47069	62458	119436	55356	76727	70157	61514	49478	56525	81264	43740	68217	71765	60996	39624	51133	46326	50544	40887	3681	3238	0	44733	31103	2828	54173	50313	56763	52103	52206	0	71633	69351	34223	68998	56590	27456	55459	43586	48009	45855	36878	61696	65592	59110	84976	82102	80922	27906	35071	62680	30910	49234	3790	32660	69058	64322	36249	38592	53611	58058	83293	46123	97094	36769	43143	67270	60755	74284	68139	62939	42725	2936	53655	50703	40802	96014	114314	94661	29347	63106	52001	57968	63114	2237	49659	38128	Lipid	0.2	1.44	0.0
10	C19 H36 O6 N4	417.27075	417.27118	-0.19760817	417.2707	5181	3804	2938	4523	0	2968	0	0	0	0	1195	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43459	0	0	0	0	1804	0	0	0	2596	0	1396	0	0	0	0	0	0	0	0	0	0	0	4541	5461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	137436	0	0	0	0	0	0	0	0	0	0	458083	160365	0	14691	1414	0	4656	3812	0	0	0	1736	0	0	0	0	0	0	0	0	Peptide	0.31578946	1.8947369	0.21052632
2	C19 H36 O6 N4	417.27075	417.27115	-0.3871895	417.2706	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4649	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	293	46142	0	0	0	0	0	0	370	0	0	0	14046	7015	0	806	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.31578946	1.8947369	0.21052632
4	C19 H36 O6 N4	417.27075	417.27136	-0.013791997	417.27075	1282	1191	1628	1175	0	3417	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	469	289	0	0	23043	0	0	0	0	459	0	0	0	632	0	0	0	0	0	0	0	0	0	0	0	0	0	719	491	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	127478	0	0	0	0	0	0	405	0	0	0	133699	50908	0	6965	0	0	649	811	0	0	0	0	0	0	0	591	0	0	0	0	Peptide	0.31578946	1.8947369	0.21052632
6	C19 H36 O6 N4	417.27075	417.27133	-0.13294975	417.2707	7173	8297	5645	6298	1351	15841	0	0	0	0	2272	0	0	0	0	0	0	736	0	0	0	0	0	0	0	0	0	173868	1046	0	0	0	2276	0	0	0	733	0	0	0	0	1790	0	0	0	0	0	0	0	0	7379	7495	0	0	0	0	0	0	0	0	0	0	0	0	720	0	0	0	0	0	0	0	0	0	0	0	0	660	0	458701	0	0	0	0	489	0	0	646	0	0	478431	248749	0	28403	2328	0	7464	6827	460	0	465	1092	443	0	0	764	0	0	0	0	Peptide	0.31578946	1.8947369	0.21052632
8	C19 H36 O6 N4	417.27075	417.27127	-0.11619905	417.27072	12776	11919	11034	8183	0	17244	0	0	0	0	1588	0	0	0	691	2275	907	1921	0	0	0	0	0	1229	655	0	0	115802	0	0	1225	1139	2716	0	0	0	3013	0	1282	0	0	3798	0	0	0	0	0	0	1766	0	11344	11276	559	0	0	0	0	1726	0	0	0	0	0	0	0	0	0	1783	0	0	0	0	0	0	0	0	0	0	0	663614	0	0	0	0	0	0	0	770	0	0	957897	400989	0	58042	3355	0	9709	9912	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.31578946	1.8947369	0.21052632
24	C26 H40 O4	417.29993	417.3003	-0.25036654	417.29984	27642	31263	24796	27840	21111	12523	95920	27181	16858	7466	20781	24410	8357	23279	25066	42490	82251	10429	29266	6834	7352	11263	14363	15608	34984	28284	94370	21635	38346	39477	24980	38392	32343	26081	9332	54122	35009	24385	97486	7002	19133	16553	0	0	0	5625	12171	0	33963	30410	26981	31474	23004	0	20529	17132	19705	41370	10462	17985	37578	7099	15977	13820	31978	17611	41254	92874	14058	14055	15666	12714	25687	55480	60278	39659	0	17016	30623	21996	17828	15498	31152	30815	28241	25381	62961	16294	25503	79292	27769	22814	27407	13120	6923	0	29076	29714	16556	26040	32980	50536	18712	21121	10343	29698	21864	0	36271	7866	Lipid	0.15384616	1.5384616	0.0
22	C26 H40 O4	417.29993	417.30032	-0.12306028	417.2999	3013	7153	5335	3818	3655	2636	18712	5507	2318	0	2186	4728	2435	4770	5299	9862	25678	0	3132	0	0	1564	2525	1509	7760	2436	14493	3342	6522	11111	3234	8156	4886	3695	0	8681	4684	5193	25671	0	0	2790	0	0	0	0	0	0	6210	5166	3302	5704	2063	0	4568	4188	4607	7684	0	3096	4559	0	1986	1304	8247	0	8544	34177	0	0	0	1342	4773	8031	21164	8672	0	1948	7983	2995	5168	2456	5810	4587	3687	7938	16738	2275	4939	29220	6365	0	3624	1338	0	0	5150	5683	5441	7133	6953	6611	5876	2624	1529	4667	4892	0	9332	0	Lipid	0.15384616	1.5384616	0.0
28	C27 H44 O3	417.33633	417.3367	-0.18161461	417.33624	3320	3379	3586	2308	1713	1376	104381	4567	0	0	9680	3397	0	6484	4633	3199	10716	0	0	2066	0	1162	2888	2308	6322	8926	86816	7385	5820	8848	4528	2867	1829	2470	757	7819	2241	6247	9640	838	2148	3988	1385	1346	3270	0	0	1185	4031	8397	2914	3112	1336	0	0	2923	3097	3329	2430	3272	8301	1713	1101	0	7094	916	4705	11899	8217	0	1274	3126	3788	9896	3646	4442	0	3043	4255	9325	3283	5239	3155	4593	2477	2558	18121	2720	8211	14362	3905	2645	2096	2839	0	1361	4480	4412	3048	1827	4458	3667	2956	5877	5120	2096	1805	1664	3680	0	Lipid	0.11111111	1.6296296	0.0
26	C27 H44 O3	417.33633	417.3366	-0.20097871	417.33624	3836	4015	6580	2431	0	0	64668	7019	0	0	7557	3147	0	8535	6969	5293	44910	0	0	0	0	0	0	0	5789	8087	67781	12206	5505	10242	5139	7204	1905	2751	0	12725	0	13668	44611	0	2135	0	0	0	0	0	0	0	7506	9532	5507	5090	0	0	0	0	4458	3339	0	5305	15785	0	1751	0	14124	0	4634	39837	6244	0	2113	0	0	0	17341	8626	0	0	4855	9584	0	6934	5146	4959	0	0	20620	0	2883	16599	3205	2683	0	0	0	0	2917	0	4600	0	0	5157	3260	5730	0	2632	0	0	6924	0	Lipid	0.11111111	1.6296296	0.0
20	C19 H15 O8 N1 S1	418.0591	418.05972	0.055610705	418.05914	0	3012	4650	4428	4292	0	0	0	0	8854	3774	0	10318	0	0	0	0	0	3264	0	8016	21830	0	0	0	0	0	0	0	0	0	0	5048	0	11676	0	0	0	0	8070	10416	0	0	0	0	6686	8008	0	0	0	0	0	3114	0	0	1337	0	0	2706	0	0	6408	0	4684	0	0	0	0	5456	3106	5800	0	0	0	0	0	0	0	3668	21668	0	3320	0	0	3224	0	3012	0	0	0	0	0	0	18206	18318	0	0	0	0	0	2676	0	0	0	5232	0	4478	0	0	5688	Organosulfur	0.42105263	0.7894737	0.05263158
14	C19 H15 O10 N1	418.07687	418.07742	-0.036329187	418.07684	23291	22893	18545	19898	27808	17209	4295	3445	37594	71656	43817	4666	56502	13212	7029	7817	3279	31989	32897	33487	46856	83623	11576	5822	2978	3295	3905	8493	2693	2653	1365	0	9372	1846	79095	2331	8527	5970	5151	37302	66290	8427	0	0	0	25499	51480	0	2870	2600	26464	22715	17432	0	46862	31108	14437	5694	0	12488	0	34484	66276	37506	9411	42309	8409	5331	22732	11113	19494	2210	1173	0	4228	3467	0	4813	14679	62431	9172	23465	3163	13307	32396	11780	15687	11515	15599	13624	4146	13036	8566	94235	51338	0	19378	23445	21669	40036	36088	9792	3402	4659	28302	7829	24804	0	4450	56912	Phytochemical	0.5263158	0.7894737	0.05263158
18	C19 H15 O10 N1	418.07687	418.0774	-0.06405824	418.07684	22429	22654	21684	21215	27703	18683	6085	3515	32642	54954	22236	6416	55166	10772	7500	6421	6344	40843	43628	21705	51294	70885	12826	8389	4016	5157	8769	9880	0	2748	4402	0	7979	0	70297	2939	8162	6131	6003	28627	47967	11042	879	0	0	26204	41894	555	4244	4064	21279	23015	20937	0	37664	31786	12820	4873	5878	8336	5314	31110	68270	33226	11718	44962	14490	5647	7768	8098	9785	0	1646	0	5224	0	325	3821	21931	51759	15680	27357	2737	12681	32623	18715	21406	15721	15330	13477	11239	12525	17037	78560	80855	0	22476	19575	24582	35031	28053	13063	5783	7727	24010	10597	21862	0	7178	59769	Phytochemical	0.5263158	0.7894737	0.05263158
20	C19 H15 O10 N1	418.07687	418.07736	-0.005051845	418.07687	17245	12177	13452	11891	24953	12089	3295	2823	21301	27015	8524	4106	38955	9240	8085	3047	3041	28203	25381	16541	25239	46229	8621	6796	4542	2034	3176	4261	4328	2059	3831	1373	6937	4186	35145	0	8893	5480	5105	19821	31167	8456	1266	0	403	15282	34553	697	3240	2665	13757	11431	15177	341	23630	17588	9744	7613	3662	3593	4011	18271	33945	25034	8133	26695	13351	4391	6323	3961	7364	1766	2186	1337	4988	4640	0	5094	13095	35159	9398	18882	2584	10731	20985	13491	8744	11870	8877	9681	3695	8718	10164	58004	51081	0	11376	12851	12711	26892	21393	2886	2115	4070	17128	6479	12869	0	4268	37755	Phytochemical	0.5263158	0.7894737	0.05263158
12	C19 H15 O10 N1	418.07687	418.07748	-0.023960102	418.07687	9564	12188	14763	12800	18044	8463	2234	0	21496	30016	22700	1441	31208	5978	1912	1519	5396	16346	20825	19935	37311	47035	5586	2812	1082	3374	0	0	0	0	0	0	2516	0	51275	1398	4525	4545	3463	20622	61763	8146	285	0	0	16245	38389	0	0	1112	12054	17655	12239	0	27218	21776	10105	3396	0	0	0	20324	48646	27843	4384	28747	6968	4208	0	7475	23175	0	0	0	3106	1274	0	2344	8775	31803	6460	11503	1451	4509	22806	6217	7915	9428	11158	8018	2619	6384	5842	63706	35790	0	10100	10178	24693	24276	22042	5213	1937	0	0	4549	16467	0	3787	36776	Phytochemical	0.5263158	0.7894737	0.05263158
22	C19 H15 O10 N1	418.07687	418.0774	-0.035064034	418.07684	6632	9304	6916	8884	13654	7194	2107	1583	14270	18709	4114	2268	16878	0	1791	4620	1853	16530	13679	5858	12479	32413	5545	3844	2460	1646	2753	0	1987	0	1030	0	3017	2066	19841	0	5766	2119	3336	7244	11407	4041	0	0	512	11033	19284	0	2309	1668	5621	7150	8043	574	21115	13546	5251	3330	2115	3304	3271	8995	19325	13313	4835	18334	7144	1706	2672	2303	6442	0	0	0	1436	0	317	3123	7074	18611	6760	7410	0	3688	17812	8051	7201	5062	5696	3615	2805	2958	3774	38040	37484	0	8371	7099	7110	18257	11805	2278	1355	3881	11733	5095	6800	0	4118	28392	Phytochemical	0.5263158	0.7894737	0.05263158
28	C19 H15 O10 N1	418.07687	418.0773	-0.13335513	418.0768	7214	5200	7170	5728	9158	4728	1203	0	9476	18138	3599	2396	15973	3216	2095	2618	0	13182	12498	6915	12103	18339	3714	3066	2871	0	1666	1395	3107	0	1263	0	2603	0	17831	0	3257	2625	2182	8373	7983	2369	0	0	0	5806	9212	0	2317	0	5897	6054	5776	0	12358	5241	3417	2985	2876	1373	3614	6200	13894	9909	3860	10710	4680	1639	2954	2065	2839	0	0	0	0	0	0	1304	5074	14041	5902	4063	2547	1763	8762	4671	5355	2549	5093	3305	4047	5748	2786	20040	28863	0	6629	6668	3894	5716	5684	2232	1141	2611	5921	4012	5957	0	3082	16665	Phytochemical	0.5263158	0.7894737	0.05263158
16	C19 H15 O10 N1	418.07687	418.07742	-0.014690176	418.07687	22096	22481	26942	27367	31154	12967	7006	3269	38624	55523	36089	4070	74523	13610	10045	6504	6564	42007	40281	36294	55269	89195	13301	10554	3105	4385	3215	8002	3175	1970	4192	5023	8646	2285	87960	3174	9325	5919	6029	39560	67179	13059	874	0	0	20549	55313	0	3848	3418	25355	26834	23552	0	44626	26256	14542	8923	6361	7209	10554	37243	72437	39768	12089	48133	18699	9066	16044	9846	25755	4146	3048	0	4038	3505	0	4412	19631	54309	11583	30589	2525	12694	39110	14230	13677	15963	18707	0	8785	14417	0	93134	74302	0	22988	21148	25301	40028	34904	7334	4627	5506	25017	0	28532	0	7455	60652	Phytochemical	0.5263158	0.7894737	0.05263158
10	C19 H15 O10 N1	418.07687	418.0775	0.09357101	418.0769	3897	5561	4270	7477	9330	3853	1038	0	16925	15706	11407	874	20593	1740	1227	0	1541	8075	10737	10486	12024	20125	2467	1963	1231	1629	0	0	0	0	1503	1133	2813	0	17938	0	1454	1108	1525	6814	20609	3826	0	0	0	3978	14188	0	0	0	6125	4788	5979	0	13305	11303	4264	1268	0	0	0	6873	26726	11637	2630	11931	3306	2304	0	4647	9314	0	0	0	1417	1106	0	854	4104	9827	1808	6244	0	1143	14264	3715	3925	5141	3558	3772	0	2520	2505	18873	14972	0	5740	7953	8854	14233	11930	0	1408	0	0	1687	7588	0	1125	19638	Phytochemical	0.5263158	0.7894737	0.05263158
26	C19 H15 O10 N1	418.07687	418.0774	-0.06307585	418.07684	4138	4735	5040	5284	8991	5576	0	0	7715	14470	3135	0	15241	4699	0	0	0	18213	8228	6234	11844	21628	5839	0	0	0	0	0	0	0	0	0	1995	0	13714	0	1891	0	0	6675	8818	0	0	0	0	7860	13741	0	0	0	4494	4100	4165	0	9016	0	0	0	0	0	0	4058	17786	10053	0	9789	3435	3212	0	0	3166	0	0	0	0	0	0	0	4689	10220	2568	5720	0	0	6637	0	4413	3820	3322	1928	1340	3847	6198	20216	32386	0	6524	0	4118	5385	4656	0	0	0	8011	2605	0	0	0	18869	Phytochemical	0.5263158	0.7894737	0.05263158
24	C19 H15 O10 N1	418.07687	418.07733	-0.07206563	418.07684	5807	5229	5655	4316	7142	4443	0	0	8387	8448	2357	1139	20100	4202	2398	1821	0	15318	11657	3298	9055	23123	4473	3647	2096	0	0	0	0	0	1129	0	2238	0	13982	0	2616	1731	1075	6602	6448	2463	0	0	0	4822	17463	0	0	0	5210	6097	5213	0	17391	9450	3841	2499	2220	1935	1573	8661	21091	18003	2227	11467	3770	1658	1560	2297	1487	1147	0	0	0	0	0	1059	5015	16134	6209	7661	0	3171	13586	3460	3470	2542	3875	2482	2084	3188	2996	32029	30202	0	5436	4422	4959	11977	5540	1879	1651	1851	8505	2558	5871	0	2128	23468	Phytochemical	0.5263158	0.7894737	0.05263158
16	C16 H19 O12 N1	418.098	418.09857	-0.012066688	418.098	6722	9239	7756	9778	31379	19714	2054	3054	51051	0	11216	7802	77725	11067	8986	2216	9045	38546	37210	6265	19560	6432	18893	4694	0	0	2109	0	2491	2602	2101	0	5423	2884	0	2585	4674	4685	4785	0	10562	16957	844	0	0	0	18525	600	2918	3973	11103	9349	20481	242	53317	47209	15753	1963	5400	6405	0	7981	54678	53939	15481	24866	14509	4925	7670	0	4104	3360	3136	3023	7231	1716	0	7677	4251	9517	4348	7730	1227	0	41657	9501	2853	14759	14635	0	0	3882	0	12820	0	0	12548	14988	29864	24204	32927	8724	8791	3487	0	0	30170	320	1609	59717	Phytochemical	0.75	1.1875	0.0625
14	C16 H19 O12 N1	418.098	418.09866	0.023721363	418.09802	15331	13143	8901	13858	43674	27441	0	5248	54031	6962	15122	18974	95368	15834	11791	0	13232	55196	55550	6540	24240	13906	25039	6710	1762	0	2943	0	5951	3962	3815	0	10314	3639	6628	3141	5163	5277	4842	0	17235	31368	0	0	0	5030	23900	0	2903	5246	15178	10585	27304	0	91955	67230	14424	3414	6279	0	0	13658	81219	77539	22241	46317	24774	5686	0	0	6495	3028	3163	3851	8255	3645	0	9386	7330	0	9673	7575	1788	0	62717	18241	6751	19586	20795	7413	0	5406	8293	19270	5640	0	11131	17962	43164	50638	53984	19124	9915	6149	0	9156	45131	0	1308	74301	Phytochemical	0.75	1.1875	0.0625
18	C16 H19 O12 N1	418.098	418.09863	0.063766904	418.09802	7158	6122	10302	13908	30952	24026	0	5408	43332	0	11854	11572	60896	14478	6772	7940	8092	52190	41338	0	18214	0	12170	3088	3312	1970	0	4618	0	2646	3472	6488	9968	0	0	4762	9170	4538	4622	5066	9898	17898	1220	0	748	7280	29076	824	4754	6840	10604	6038	24636	0	56408	42122	17940	4442	7444	5972	0	13282	43994	47920	14228	24604	16432	6232	13300	0	7842	4038	2754	3856	8138	0	0	3798	7044	10568	5430	8922	0	0	43372	10746	6578	12416	10636	5576	0	15460	9526	16012	0	0	9044	6176	41472	16804	32020	5994	8676	0	13060	0	31492	0	0	49058	Phytochemical	0.75	1.1875	0.0625
12	C16 H19 O12 N1	418.098	418.09863	-0.016583655	418.098	12187	16799	11486	8810	48140	22308	0	6718	61519	6857	19326	17487	99752	11051	14896	6803	21723	67212	62456	10563	32325	14339	30313	12298	0	0	1932	0	3681	3959	4245	3843	10833	4867	10827	6590	10072	10703	10443	6102	14502	35558	1248	0	0	7743	21190	0	0	4988	14864	13511	31350	0	87512	80560	19817	7211	6358	12311	0	8808	112803	76633	21126	51335	23767	12050	0	0	5571	4288	2716	3621	9530	2200	0	11357	15190	0	8514	5719	1247	2462	72600	20310	8505	24484	20289	11154	0	5040	11105	31215	6533	0	12224	26843	54529	50088	69071	12684	12098	0	0	19184	56020	0	5810	101913	Phytochemical	0.75	1.1875	0.0625
8	C16 H19 O12 N1	418.098	418.09872	0.12626754	418.09805	6913	5699	6211	7844	20455	7486	1365	3398	22767	0	6304	5339	46675	4306	4091	4788	5227	23491	27316	4777	10956	9301	8378	3124	0	0	1898	0	1976	2288	1967	1237	4671	1695	3959	2140	4540	3072	2621	2072	4720	14776	0	0	0	0	5139	0	1860	2183	8142	5909	10667	0	32309	38461	10009	2320	1793	4501	0	2564	46266	33331	10364	24915	8287	6715	0	0	0	1371	1813	1015	3031	2300	0	3260	4920	0	3242	1172	714	0	33529	9559	3835	14485	10643	5277	0	0	4842	12547	6581	0	7218	10261	21857	35307	40280	6514	3066	4607	0	3048	26452	0	1193	39803	Phytochemical	0.75	1.1875	0.0625
16	C20 H19 O9 N1	418.11325	418.11377	-0.04096653	418.11325	88955	87585	77362	98099	88463	57883	25978	33703	86077	364006	161154	27159	147095	43033	32555	55101	34704	116690	116066	189946	250318	226530	42997	48450	40076	116351	24570	94338	29304	21823	26948	34413	49099	28612	429228	25927	53602	33192	34705	200391	188433	37170	2692	446	0	126924	158696	556	42090	27589	82475	92080	56875	507	112868	77527	39917	50332	45752	38320	45615	136302	153467	83269	30797	103063	48422	29903	139052	184298	204620	27230	22290	11550	23356	26030	0	22535	66008	172323	40361	109578	38410	112729	84538	43481	54319	40083	44098	64463	70129	96222	79878	211655	285554	477	94902	84280	61235	74769	80535	51483	20681	55197	101542	38983	69000	329	32444	142091	Phytochemical	0.45	0.95	0.05
8	C20 H19 O9 N1	418.11325	418.11392	-0.034508657	418.11325	18888	20124	17095	22197	18832	9159	4961	7197	26633	76121	47432	8334	36053	7002	6722	9851	8103	20952	24235	41964	59209	43870	11283	12355	2687	18191	6662	20869	7514	7012	7227	8842	9958	6030	93056	5634	9636	6760	10905	35969	58346	9295	0	0	0	23814	48936	0	9216	7107	19956	21191	16282	0	29152	22676	9075	10207	6834	10815	13250	31717	43087	23506	10563	21701	9778	11554	44492	34927	67118	6742	6185	4534	5086	8254	0	5653	12758	19680	12559	21884	6180	19246	21612	9575	10349	11122	10122	20077	0	17343	19958	47697	44538	0	21926	19736	20817	28809	22110	8932	6791	13578	19936	9698	18280	0	6405	39295	Phytochemical	0.45	0.95	0.05
18	C20 H19 O9 N1	418.11325	418.11377	-0.07273612	418.11322	84701	69427	75274	62645	64214	48383	27869	29097	68851	250057	119355	16740	124812	38639	28973	40183	21167	99507	86978	172148	176814	189211	36453	39930	30811	98791	19172	70535	22787	15876	19517	16044	45473	16988	289410	19272	41561	27621	19041	154752	135706	27377	2915	321	273	120216	128085	436	23706	16575	71024	71771	49636	362	100471	60962	30418	37555	29539	23649	37155	109011	110597	71270	29302	75612	42861	21127	94862	137926	133261	18091	13546	10433	19194	17061	360	16331	43667	127057	29280	97575	28333	78872	67590	39244	45506	38677	34632	39940	62402	63756	54426	158800	232265	0	70285	78561	52758	52957	58673	37450	19773	32413	74403	30994	50149	402	27480	111143	Phytochemical	0.45	0.95	0.05
26	C20 H19 O9 N1	418.11325	418.11365	-0.12896371	418.1132	5192	4116	6373	5845	6132	4781	0	0	4919	22576	5186	0	11137	0	0	0	0	9402	9184	6945	10593	17278	0	0	0	0	1833	3133	0	0	0	0	1950	0	17734	0	3507	2595	0	8770	6510	0	0	0	0	6794	15591	0	0	0	6350	4933	4330	0	7581	0	0	2660	3429	0	0	6904	10420	7541	2612	7691	3188	2560	7174	8581	7010	0	0	0	0	0	0	0	4769	12238	3996	5494	0	3323	5723	0	5728	2758	2830	1822	1603	4989	5814	14571	27271	0	3254	7789	2586	3790	0	0	0	0	0	2038	4442	0	2796	12235	Phytochemical	0.45	0.95	0.05
24	C20 H19 O9 N1	418.11325	418.11368	-0.10336595	418.11322	12089	3259	6302	10372	12180	9505	1233	0	10234	37641	7192	2772	12923	3612	5083	2828	1862	15432	9569	8865	22054	27008	3816	4584	2904	5713	2411	5915	2057	0	2661	0	3236	1766	26951	0	3969	1880	3455	14965	17552	2299	0	0	0	13416	25568	0	1350	1223	7403	7960	5315	0	15654	9098	3184	2649	2993	1617	3350	15028	16759	11087	2137	13955	4371	0	7225	10910	11735	1169	1536	0	1199	0	0	2149	8931	23012	7263	9669	2172	8980	11854	5896	6841	3629	5108	6082	4018	7199	3632	34370	40710	0	6770	10091	6848	8670	4877	4453	1583	5437	12041	5775	7825	0	5494	23253	Phytochemical	0.45	0.95	0.05
22	C20 H19 O9 N1	418.11325	418.11374	-0.11082531	418.11322	13615	13692	13615	14269	18925	13848	3050	4896	15963	55990	18408	3121	24833	10445	8807	5425	4502	31278	26072	28500	35119	58318	12221	10761	7740	14339	4100	14839	4700	1755	4879	12294	9348	2338	72729	2902	8104	8111	3329	38952	27772	8419	2956	0	642	36798	47495	0	5511	5923	16000	12887	12522	833	27042	17886	8896	5730	7028	4301	6920	24358	26340	19400	10702	17676	13463	4245	25654	32691	31422	3685	1530	1625	2692	2153	778	5669	13522	33228	11035	26659	3156	21894	25342	15660	13632	8834	14586	6729	8271	16537	12752	46683	71778	0	19619	19687	16665	15631	19007	4242	3256	11884	27565	5846	17711	0	7822	36796	Phytochemical	0.45	0.95	0.05
28	C20 H19 O9 N1	418.11325	418.11365	-0.14481084	418.1132	3902	6020	5643	4247	2857	4462	2067	0	6460	21197	7542	1182	9745	1821	2498	2238	0	6922	5663	6267	11000	11986	4025	4777	3288	4580	1801	4254	1995	0	2142	0	2326	1493	18930	0	2490	2674	1000	6956	10190	2873	0	0	0	6282	8263	0	1269	0	5406	5155	3469	0	7305	2476	1685	1885	1653	1264	3132	5555	7704	5302	2004	6129	3436	2379	5226	10421	8291	1398	0	0	0	1301	0	1826	4127	12309	2356	3653	3054	2853	3401	2379	4007	2722	3153	3488	3697	6788	5240	10412	17179	0	5210	4565	2575	2025	2659	2798	1755	3198	3952	3065	2030	0	2469	7145	Phytochemical	0.45	0.95	0.05
6	C20 H19 O9 N1	418.11325	418.11395	-0.016324844	418.11325	8331	9969	6009	10531	8931	2313	1362	2949	12155	26145	18020	2382	17219	4048	1848	3512	0	10029	12244	13314	29463	20220	3614	3057	856	5605	1974	7258	1625	2170	2273	2839	2800	1740	36483	2000	3980	3172	3874	9626	21480	2777	0	0	0	9227	22398	0	4274	2660	6534	8360	5638	0	13161	10157	3878	4463	4553	5545	4165	12410	18597	12712	4612	11900	6199	4333	17474	11853	26717	2048	0	1982	0	2086	0	986	3939	6531	3969	6478	2155	4998	10652	3864	2928	4099	3032	5122	0	4427	5440	17747	15980	0	7133	5872	9577	11393	9680	4900	2436	4926	7754	3995	7453	0	2430	16140	Phytochemical	0.45	0.95	0.05
12	C20 H19 O9 N1	418.11325	418.11386	-0.0338529	418.11325	60432	70002	56869	54775	51682	33088	18863	34950	77135	211761	122976	22836	95273	26223	28375	34332	35301	74121	72437	153690	173918	152220	36147	31476	18820	88555	14190	70269	24131	20023	22647	24940	37895	21152	268708	18388	33164	27096	31445	133895	180601	27396	1056	0	0	87861	138490	0	26801	28442	70709	63506	44765	0	83568	47214	27455	30721	31098	35710	24338	101185	119269	68687	19837	71612	32893	30458	145581	143051	195031	19640	16429	12503	25175	22734	0	16684	43515	89389	36821	67343	24906	59030	64643	31814	35250	26341	30938	55116	37116	55163	60860	158279	120975	0	62800	76174	54364	57300	52730	31572	20960	37194	84404	30834	46227	0	21043	108162	Phytochemical	0.45	0.95	0.05
20	C20 H19 O9 N1	418.11325	418.11374	-0.07924313	418.11322	41581	41282	41979	34595	44607	27927	12080	9253	46458	148762	64492	12991	66457	22291	17466	17672	11006	54657	52785	77401	98619	110090	18938	20499	16179	44917	8626	34836	13276	6578	9845	10394	24803	10312	161446	7997	25707	13592	11744	93516	67119	17296	2329	0	516	75652	98255	639	14369	7443	39388	37702	27385	469	53212	41229	19605	19902	19310	11866	22090	60494	74078	42194	19309	44179	28509	11674	50160	73109	79490	9051	7070	4104	8219	7680	607	11767	25852	77926	20657	51069	12812	51772	40724	25345	26341	20913	17533	15385	34389	36688	33895	105960	116009	697	32778	41276	35025	40478	35308	18597	9804	14806	55876	19689	28181	0	13230	69357	Phytochemical	0.45	0.95	0.05
18	C17 H23 O9 N1 S1	418.11664	418.11716	-0.038782272	418.1166	7699	6155	7163	5841	4670	7574	2044	7545	3819	24169	4240	2478	8802	2789	5134	4614	5564	14202	11723	12834	12135	11208	6273	7621	6583	10950	2457	5641	4954	3365	5054	4435	5976	0	17868	4116	6241	4171	2547	15041	6338	3725	0	0	0	9773	5612	0	5031	4203	7835	4270	4042	0	6661	4945	3046	5742	9059	4507	6957	14045	4262	4721	2906	3663	4648	3772	11725	9601	8601	5331	2332	3969	3624	0	0	4537	2707	6280	1995	4399	6741	5183	6299	3653	2320	2182	4763	4891	15582	20728	7301	6870	20211	0	4931	7676	4739	3652	4811	6308	3896	12087	6281	5751	4813	0	3720	5825	Organosulfur	0.5294118	1.3529412	0.05882353
6	C19 H19 O8 N3	418.12448	418.12515	-0.008998586	418.12448	12177	15958	13800	13674	10628	6878	5317	13121	14490	20930	12477	8830	0	4919	7679	16843	13363	16067	16671	16525	30853	24813	9699	13975	4925	4143	5350	8066	6795	7634	9458	9529	14143	8915	29549	8646	11515	9011	16831	17751	31547	7191	0	0	0	18366	28592	0	11340	8325	14908	14295	10326	0	15270	10449	7050	16121	6970	11757	16693	14647	23163	0	6511	17299	11188	17382	12310	13445	24283	9502	8880	6176	7491	7187	0	7248	13970	11890	8605	12942	5927	7848	12600	9727	9835	11255	11338	29991	3933	16792	26888	19466	17622	0	13069	13181	9293	13375	0	13392	8712	11981	16793	14518	0	0	8680	22041	Peptide	0.42105263	1.0	0.15789473
8	C19 H19 O8 N3	418.12448	418.1251	-0.032745477	418.12448	27004	25230	22699	25299	16399	0	11759	18216	0	36400	29912	18272	0	7886	13438	23102	0	21110	0	29373	0	0	0	21090	7845	7996	11552	12889	15659	14392	15341	18964	17307	12338	0	13409	24792	14391	25190	39006	0	13899	0	0	0	32361	47053	0	18833	18279	26573	26009	13951	0	26148	16316	0	21211	0	0	20805	26793	0	28165	11048	26166	17523	0	21076	26259	46392	18390	10734	12496	11622	14993	0	13449	0	13172	0	19165	11259	16936	20429	11019	22221	17236	15594	42648	18323	24919	40233	0	27594	0	0	28214	17019	0	20274	0	0	24830	24172	21797	0	0	13117	0	Peptide	0.42105263	1.0	0.15789473
12	C17 H23 O11 N1	418.1344	418.13495	-0.07838613	418.13437	113670	120983	117003	133941	192192	138048	84834	167507	301997	158624	180988	111606	395122	71721	151949	110394	164335	383117	374426	279094	396641	193161	191971	126510	54275	67569	48609	71620	130874	103128	105284	81425	151627	85074	285499	116382	112410	123890	110412	151235	204385	171992	5199	901	529	197807	267027	504	86589	133053	131160	109878	165482	567	544707	261066	119449	87124	151581	145143	119770	188137	416270	328406	96886	239215	139986	127267	249694	121028	175235	94315	99167	119361	98635	79224	455	113528	118256	176917	111940	133918	55054	52395	265723	145593	98869	105187	136439	105594	37381	102054	152820	199437	138214	925	131432	215512	238061	186946	216410	177261	110475	120490	226037	100702	258462	541	53992	403184	Unclassified	0.64705884	1.3529412	0.05882353
28	C17 H23 O11 N1	418.1344	418.13486	-0.12060271	418.13434	8020	5294	6901	6367	6617	5762	1790	5380	7194	14886	8374	3608	8158	2519	0	0	0	10676	7865	21797	24028	5367	4368	7268	0	3021	3584	2522	0	3695	5070	0	4624	3756	16131	0	4076	0	0	8883	11841	5348	1349	0	0	7966	15947	0	0	6201	6429	6194	5717	0	8455	3741	3193	0	5760	5275	0	12592	8286	5989	3394	3385	3536	3237	16641	11190	17521	6553	4368	7021	0	0	0	4058	2555	0	3771	4894	2250	3929	5861	5421	0	3711	4777	0	1120	1882	6709	2456	2714	0	6189	7975	5864	2049	2441	4842	3360	5741	8413	4703	8012	0	0	10691	Unclassified	0.64705884	1.3529412	0.05882353
10	C17 H23 O11 N1	418.1344	418.13498	-0.052635904	418.13437	101933	105224	102823	91293	107322	81105	42278	105997	167660	150610	126499	79317	276552	52510	83124	99438	101946	234585	226098	184428	234115	122525	129556	102294	29575	44785	52307	41233	80612	85387	60202	66853	97118	62006	177927	101117	89907	67856	78624	98045	124318	109578	3757	464	332	99420	165333	0	63972	96484	106245	96557	95539	674	290609	169678	73358	70974	91225	90340	101728	90507	211200	185913	73894	135462	88688	86392	110316	37097	97213	71307	65984	79610	79219	62744	0	65557	74790	84034	72384	60180	33527	39895	189148	95955	64095	85240	85021	62728	33838	59430	113890	114060	122750	909	99327	138187	138665	127956	157515	132822	63263	115791	99139	69992	163159	0	32451	238174	Unclassified	0.64705884	1.3529412	0.05882353
8	C17 H23 O11 N1	418.1344	418.13504	-0.08681597	418.13434	43796	53399	36236	46385	47433	34937	16494	49696	67288	44221	54198	36533	113896	22509	42253	52052	53199	82673	96116	59871	91694	54846	55034	54066	13869	16172	21296	16400	39509	43880	26100	37364	33579	32336	79345	35495	44577	28269	47982	34012	57778	52809	1306	0	0	53279	66903	0	27975	44899	45950	51855	38707	235	121475	84214	37307	32711	37246	45438	51086	36252	105891	85319	33623	66086	36537	46557	29920	23522	52013	31210	31734	33342	44446	29478	0	29331	41615	30276	30719	23137	17574	16892	94614	37996	28641	38689	39889	36284	0	25914	52207	44400	53458	0	45411	60556	64559	69542	91067	59602	31493	50974	22807	38514	76357	0	16627	98376	Unclassified	0.64705884	1.3529412	0.05882353
24	C21 H23 O8 N1	418.14966	418.15005	-0.11825815	418.1496	13695	15113	13661	15572	15702	12129	2078	7721	12858	47060	21512	4879	18549	6078	5643	8194	3299	22166	18582	21742	35159	23817	8995	13658	6051	29945	3699	15928	4834	4412	6669	7527	7658	5866	35616	5958	8947	6043	4126	22940	22794	8095	0	0	0	24604	25952	0	7193	3708	13440	13553	9808	0	14974	10957	5376	8679	4753	4152	11273	18142	17563	13046	4219	17264	6401	5469	31934	38284	48042	6627	5713	3082	5795	4942	0	5617	8293	15893	8273	14832	4954	16336	17718	6924	10892	6218	7569	10755	12743	8634	17217	21083	32508	0	13527	12511	7643	13262	12941	6449	4491	7136	13355	8302	10746	0	5770	24192	Phytochemical	0.3809524	1.0952381	0.04761905
22	C21 H23 O8 N1	418.14966	418.15012	-0.097630754	418.1496	44206	41726	40608	34807	39589	30217	11077	20132	42753	118631	69834	15497	43545	20363	15664	21246	16077	57332	44327	80821	103535	59960	22748	28323	24057	72398	10399	56086	18767	14773	16809	13419	27159	21881	130672	15399	30027	13988	17171	78232	66408	19694	0	0	421	69986	70965	0	21463	15934	38470	38124	32386	519	41918	31831	19969	19579	19200	12619	25612	61998	45801	37523	13121	46609	24361	19001	81894	113660	114063	18136	15237	10487	11295	15134	352	12408	24981	45057	22805	36305	14400	47874	50308	19835	31643	21833	21203	18329	29814	28660	31699	59421	92847	0	36511	33321	30644	27393	26082	22807	15584	26930	45821	25587	29764	0	18659	56263	Phytochemical	0.3809524	1.0952381	0.04761905
26	C21 H23 O8 N1	418.14966	418.15	-0.12739602	418.1496	6265	5431	4307	6870	4212	3422	1698	0	6764	23387	7084	3506	11287	4494	0	0	0	6699	8296	8480	13824	11920	0	5627	0	8897	1859	5858	0	0	3072	0	6787	2823	18300	0	3543	0	2329	8190	14060	0	0	0	0	9451	15038	0	3661	0	7609	4614	5219	0	9223	0	3130	4110	0	0	5045	11312	11625	3780	0	7454	2448	2348	13391	20530	26977	3598	3463	0	0	2390	0	2649	3112	9141	4577	6704	0	5945	8050	0	4292	5084	3315	4360	2612	3770	5471	10143	13876	0	6123	7639	3331	4223	0	0	3556	0	6689	2283	0	0	0	9424	Phytochemical	0.3809524	1.0952381	0.04761905
6	C21 H23 O8 N1	418.14966	418.15033	-0.072085045	418.14963	24342	28134	22211	22065	17562	16064	8357	18070	23487	82367	41705	11231	29938	10035	12391	19421	13444	22158	29209	62909	87685	46295	18233	21398	5875	31877	9199	28600	14804	11498	11813	16405	19513	10350	98090	15158	17110	13523	20278	43898	60941	10033	0	0	0	35383	62151	0	17330	13070	25732	24715	14201	0	26692	18712	7009	21337	13353	17815	16194	35565	32642	21576	7196	24029	13623	17311	48967	60260	90017	14975	12209	14190	8677	13106	0	10644	16526	23791	15349	22856	12494	26293	19579	10170	15813	11666	13884	24771	15840	20966	25499	38841	57750	0	22551	24080	16865	22177	23323	17306	10481	22094	26531	18354	16605	0	10991	29736	Phytochemical	0.3809524	1.0952381	0.04761905
20	C21 H23 O8 N1	418.14966	418.15012	-0.10739955	418.1496	92907	92281	84742	78469	74319	55433	32634	45680	63818	269548	142554	31287	112227	49154	48847	54856	39163	103225	106803	203222	226722	142229	51627	69388	44869	201240	32369	116976	46785	33660	43910	42479	67196	44328	296439	45243	72423	36519	38424	174923	146452	48556	3380	792	288	155187	127135	894	49283	40257	86887	91224	60627	1132	83817	68469	35114	62420	48952	32697	66014	131646	99614	71620	35396	76401	50257	36754	192753	266377	254871	43265	40613	29425	34388	39447	496	32631	57824	100706	45711	81275	45869	148918	77932	53270	51377	49229	48667	57239	86432	108923	99962	122150	162530	867	88021	92381	58251	54574	71617	57849	30117	71034	92287	63413	60105	0	44982	119068	Phytochemical	0.3809524	1.0952381	0.04761905
4	C21 H23 O8 N1	418.14966	418.1504	-0.07370224	418.1496	6102	7384	5465	6392	6316	6708	2540	4913	7882	18723	12162	3385	12409	5484	4131	5489	5260	5864	7937	18500	17320	14530	4686	4847	2236	11864	2721	6157	3742	2924	3893	3799	4785	2672	21118	3482	4744	3268	7550	9904	14691	3468	0	0	0	10278	18275	0	4032	3399	6268	5443	4383	0	10794	6361	2532	4387	3031	4040	4667	9641	10810	6858	3044	6179	3693	5431	17340	12051	19325	2929	3319	3346	0	3914	0	2694	5790	7171	4335	9088	2301	7029	7289	4831	5177	3370	3786	7687	3629	3643	6448	9740	14054	0	6413	7245	6457	8948	7216	4082	2736	7128	9492	3841	5431	0	2584	9936	Phytochemical	0.3809524	1.0952381	0.04761905
12	C21 H23 O8 N1	418.14966	418.15024	-0.0735852	418.1496	99400	106089	94988	95149	62579	51725	55090	79463	72302	281467	156906	43529	77952	41345	54818	78819	75348	83882	103714	264772	288263	202056	59399	80560	52448	194189	43091	136767	64817	56540	59208	59392	84371	61305	385629	58590	71275	53929	72302	231825	260525	47909	1117	0	274	144221	175911	361	63024	67689	100906	104433	52270	305	91198	56325	37068	71338	81241	78472	76332	152028	103487	72544	29673	80442	53517	73222	243912	327299	321892	59387	54486	58812	51655	59362	218	45989	66010	104770	63748	96352	57243	128787	63776	38971	78090	40591	45965	120064	85387	109864	110753	123470	142195	500	116107	109749	69570	47726	51514	69923	42403	90388	112343	74575	52985	0	57007	104858	Phytochemical	0.3809524	1.0952381	0.04761905
18	C21 H23 O8 N1	418.14966	418.15015	-0.07148977	418.14963	150028	140455	143229	142298	109504	98188	54228	83826	97638	448996	231495	57040	153996	71727	74688	86593	70090	154173	148850	340516	363283	231884	87120	108527	74902	280891	48430	188084	76631	71000	75320	83765	113810	86628	448246	77599	97222	57939	70305	294347	230202	69839	4525	403	612	204843	173798	640	88724	70977	141955	141563	93365	625	121316	92651	60169	99231	78892	59567	94052	207869	150467	100048	48648	124819	92865	65919	279016	418085	400993	87452	65731	58249	61371	89143	554	57016	94722	141176	77285	132368	74378	183414	112659	69942	89616	77699	70249	96416	131112	162543	171193	169993	271742	797	134082	135579	88480	90965	79952	102088	50562	114915	108282	90186	73621	790	65430	155350	Phytochemical	0.3809524	1.0952381	0.04761905
14	C21 H23 O8 N1	418.14966	418.1502	-0.08084542	418.1496	148670	156986	133723	143958	91234	76343	67841	107163	109321	392050	213072	62483	123586	70808	72231	101413	91844	119111	125318	338859	412323	277949	78104	125857	76497	284189	61103	189213	77981	80377	84677	103578	119782	79969	478903	76276	113708	62555	94225	278211	286401	67596	0	350	241	186675	216705	0	94681	88834	143001	134871	85004	265	127005	76738	48389	125270	106837	88172	83508	198680	144959	96685	48301	114446	81121	93845	278421	424056	377084	87930	75102	79116	65676	78062	0	61376	92089	188267	74002	135733	73798	168129	96974	60257	80860	70629	68566	149629	133064	141269	166169	172257	220484	609	145689	140249	75732	74791	76104	104201	60149	143526	132872	90043	66745	0	66975	134320	Phytochemical	0.3809524	1.0952381	0.04761905
14	C20 H23 O7 N3	418.1609	418.16153	-0.042605355	418.16086	542051	640941	479391	513519	384158	395847	401663	727810	580385	740314	459080	349821	750978	192052	619644	467719	487134	786421	741804	986092	953104	723698	650515	757886	502423	522152	305527	402762	624602	559572	472030	582069	675058	458601	1037427	601693	713746	483409	458273	609721	512100	433913	14180	943	841	629442	586049	1180	501627	552472	500919	479574	405607	2211	1053802	449215	283576	554560	726370	379200	732379	523698	680202	642025	281521	568425	421024	251173	593772	804611	603120	485520	466387	621633	433119	441381	477	418483	542708	399924	351149	429973	382638	342947	534038	380153	501863	346103	406929	620241	459767	522442	870317	312730	547937	4962	536323	684857	379134	350410	426903	683012	382785	767521	372222	467727	434115	882	389910	625038	Peptide	0.35	1.15	0.15
16	C20 H23 O7 N3	418.1609	418.16144	0.09026198	418.16092	2005770	1956309	1987182	2102465	1668756	1519953	1142196	2383176	2281545	3644496	1962244	1241788	3024885	884754	1987323	1949073	1142814	3089946	3163323	4272267	3664323	2218914	2112225	2321394	1463592	2623316	958053	1566114	1992132	1791897	1684404	1833222	2093517	1498794	4265583	1883869	2017665	1442889	1136259	2480199	1777761	1028214	40110	8067	3933	2179556	1724485	3810	1897629	1974498	2145195	2055279	1504650	8721	3869793	1667457	1028424	1858755	1916811	1110198	2158260	1912098	2509698	2344080	859569	1868589	1472673	1073559	2364244	3433434	3136521	1941660	1744413	2028606	1303290	1635387	1842	1406481	1662210	1138665	1435524	1487685	1348569	1593864	1878687	1330389	1443156	1107608	1231596	1335204	1628724	1966416	2768145	1383225	2136284	18855	2049063	2358615	1468164	1290738	1480338	2164479	1221756	2046978	1235679	1751523	1624821	5631	1278885	2594646	Peptide	0.35	1.15	0.15
22	C18 H27 O10 N1	418.17078	418.17123	-0.12217633	418.17072	19930	21677	18698	24980	18838	17464	9113	34491	21589	37321	15470	21466	31238	5833	20921	20829	16811	27211	26651	26981	42614	13823	22406	33801	12854	14090	7800	10501	25999	21606	20704	16232	18709	0	26633	28742	18668	17578	14324	21799	16982	12365	0	0	492	22144	27826	0	21282	28981	20667	20569	14305	653	30829	19161	11622	21377	16693	16221	19664	19026	24305	21806	9762	14444	19537	10176	22654	26908	26869	23785	22403	28947	17619	17910	604	19974	21648	7932	20529	9540	13378	13985	24694	14511	15005	9078	16692	7368	13256	13925	23048	11874	17060	0	22552	21739	11563	18871	14912	20604	13927	26300	18964	18463	17397	0	12553	37745	Lipid	0.5555556	1.5	0.055555556
12	C18 H27 O10 N1	418.17078	418.1713	-0.17548856	418.1707	141047	135333	156797	141166	144403	140028	157698	339698	228873	192410	162578	145616	283745	64754	266179	171441	212144	333086	353168	338758	393237	177470	313258	213286	177463	158154	75891	148182	267825	191693	200070	130394	242387	152367	357776	219272	155890	204651	165328	199043	158754	162102	5355	645	377	273034	206881	478	145678	226129	143220	134047	156127	1096	466189	206636	113436	172640	294631	174991	230962	216627	290830	261645	103566	196834	152746	167226	294770	216900	233698	163133	182451	220975	130200	141199	0	203432	195475	147544	210114	142873	148627	111608	231610	162870	178983	92890	138954	168053	81864	162296	253686	147616	128430	1626	154313	266172	190843	135902	185998	200523	157132	179658	196340	177933	195431	534	136511	265636	Lipid	0.5555556	1.5	0.055555556
10	C17 H27 O9 N3	418.182	418.18268	0.06322178	418.18204	2007	3995	3843	0	1628	1226	2480	4761	0	0	0	1127	1132	0	3988	4327	4049	3220	2604	0	0	2669	4048	3693	4529	0	0	25034	2060	2322	1771	3779	3314	3912	0	4021	3647	2601	3697	0	0	1607	0	0	0	0	0	0	2243	1199	3522	2525	1252	0	2671	820	1576	3399	3021	0	0	0	0	1522	0	2739	0	2113	0	0	0	2822	2924	0	1936	0	0	1562	1847	0	1537	1068	0	0	1214	0	3851	1929	1270	4658	9946	6335	10550	948	0	0	2093	2938	0	0	0	2461	2065	0	0	2914	0	0	2309	2716	Peptide	0.5294118	1.5882353	0.1764706
28	C22 H27 O7 N1	418.18604	418.1865	-0.14009951	418.18597	4845	5629	4362	5771	5846	3935	2412	3217	3537	9221	4979	2604	6316	3281	3683	7703	3979	4497	6116	7384	8435	7160	3603	7464	2499	9889	2066	7188	4299	3099	3667	4770	4684	5046	8605	4694	4463	3385	4538	4328	4983	3233	0	0	0	4581	6119	0	5356	4505	5431	5276	4729	0	4788	2495	1967	6714	2561	2207	5027	3647	2856	4639	1991	5415	4750	5344	10318	17216	20599	5503	3157	3381	4260	3768	0	2438	5623	3211	4058	2077	2394	2821	4307	2350	4840	3398	4157	9033	5294	6826	7333	3573	5218	0	5470	5216	2235	4754	4026	4593	1351	6112	2607	5301	1750	0	3244	6567	Phytochemical	0.3181818	1.2272727	0.045454547
12	C22 H27 O7 N1	418.18604	418.18658	-0.15940268	418.18597	76330	74634	70119	70777	36972	36208	50413	74249	43029	158995	94108	38801	41919	28378	50568	66146	77681	50548	73452	207462	201177	109004	58239	69310	52097	142272	44145	83206	65273	59358	63074	62515	79999	53445	212654	53735	69572	49328	71967	147667	135058	37281	292	0	0	95839	88772	0	59826	61023	77113	74063	36503	0	50035	27596	26771	76980	43626	70661	60598	87550	51913	42593	21732	42574	40695	75187	139119	220564	224852	58703	52202	49590	52322	60620	0	46247	60349	60089	51381	47194	42761	83609	38001	26851	64144	33416	40206	117612	78688	82734	107718	76952	87924	0	78964	80644	37018	28459	31881	62808	40933	71048	53180	61260	31708	0	52793	60601	Phytochemical	0.3181818	1.2272727	0.045454547
10	C22 H27 O7 N1	418.18604	418.18658	-0.15568161	418.18597	70264	63890	58211	59116	32988	32610	32628	50153	31111	155533	81983	30846	43463	27229	34166	55157	38853	43286	53167	180647	187308	93071	39636	59240	41237	124923	35533	72656	48411	42907	42363	46379	54081	40540	189936	48861	62308	28283	52509	113534	105098	28054	978	0	0	72900	68703	0	49679	45156	62759	64846	26497	0	45488	22253	20410	57589	21615	45684	55185	57725	42123	32993	13887	41139	33203	57975	110077	191669	165912	46031	41687	42654	36154	43595	0	33003	43912	46620	33518	31186	28878	62401	31638	21139	38889	24377	30060	67860	68540	57884	85074	50332	93905	0	67720	62932	26116	24024	27366	55820	26582	63175	31008	46405	25327	0	38404	43430	Phytochemical	0.3181818	1.2272727	0.045454547
4	C22 H27 O7 N1	418.18604	418.18677	-0.11338545	418.18597	10890	11955	9443	10017	4978	5997	6363	16193	5538	18657	10715	8316	6823	4050	10195	11886	10874	7857	8698	22113	26512	15154	9316	12688	7817	17725	7574	6955	11219	11197	11776	9755	13571	7510	23040	13421	9069	6234	12965	15615	19064	5628	0	0	0	14733	17282	0	11000	14187	11510	10404	5461	0	9513	2898	3654	10784	3264	6215	12150	11052	6680	7144	3040	6989	6282	12673	15665	21033	22011	10070	9770	10528	9090	10487	0	6699	11787	9736	8902	6532	6573	11119	6324	5269	8710	5151	6238	11927	13453	11685	13929	11431	16406	0	11071	13752	4356	4914	4242	12317	7553	14518	8823	9755	4559	0	7035	6291	Phytochemical	0.3181818	1.2272727	0.045454547
26	C22 H27 O7 N1	418.18604	418.18643	-0.15009315	418.18597	12197	8151	10502	11098	14308	6243	2144	9808	6527	23675	12612	4071	17453	4895	0	9398	6824	10850	11030	17061	20006	12852	8115	15697	0	23050	1969	9555	5631	0	8012	6828	8581	7154	20747	9544	9623	5696	7216	18765	16170	0	0	0	0	8436	10183	0	9101	6848	11282	10469	8618	0	9371	0	4667	10033	5555	5453	11559	9194	10147	7704	5348	13890	9526	8555	25097	31671	41892	8952	8816	0	11434	6006	0	4727	6409	9377	8789	7042	5076	11226	9945	0	10416	9107	7277	10111	7396	7713	17150	7279	16965	0	9573	11040	4769	9926	9349	9022	4524	7287	0	9410	6704	0	6393	15125	Phytochemical	0.3181818	1.2272727	0.045454547
22	C22 H27 O7 N1	418.18604	418.1865	-0.10718001	418.18597	93503	86953	75522	101905	80223	69834	36615	71610	73849	212888	136347	40271	87126	57584	53704	72290	48480	89807	92488	219207	215278	119532	63614	90920	59365	244557	34026	129024	74591	59749	56349	68804	77244	69501	233089	67421	78500	43913	50161	164245	137547	56165	3569	0	528	119841	110950	0	66394	63807	81813	88845	68829	804	76427	67055	41885	78822	53345	45642	81205	115007	79712	62904	34983	90767	62757	46873	209124	307562	281802	69096	51241	51826	35975	52191	638	45499	64854	73806	57883	71499	53383	105265	81507	49339	65859	57902	56676	73700	90659	103085	113420	85800	137256	0	92522	101039	58624	63316	59219	82957	41537	84482	71593	79342	68187	0	55711	102556	Phytochemical	0.3181818	1.2272727	0.045454547
8	C22 H27 O7 N1	418.18604	418.1866	-0.15881658	418.18597	52760	50370	46017	56840	21845	23726	24325	47412	26318	134463	64877	26070	34495	14418	26822	43644	29719	27326	38134	146775	137900	76921	29789	49572	27248	84742	24549	62393	31779	36141	34331	46737	47651	34959	164682	36871	53512	24190	38918	86984	74636	22917	467	0	0	66517	62884	0	48824	36366	48386	54361	25635	0	32621	19936	15713	44103	10296	24271	39525	55508	30587	29940	13198	32899	26851	37011	82176	140985	132975	42635	33925	34569	27040	36897	0	24291	32015	43304	29297	22870	18293	60427	23950	10696	31698	21253	23840	51408	50615	42110	72941	49531	86689	0	55222	53168	20517	23817	19994	42993	23318	57538	20653	37661	22608	0	29584	34661	Phytochemical	0.3181818	1.2272727	0.045454547
2	C16 H27 O8 N5	418.19324	418.1942	0.24184613	418.19333	671	0	0	0	0	0	0	680	428	313	0	516	620	0	0	0	719	498	516	0	0	0	559	1444	0	0	0	18146	0	0	851	539	869	0	0	579	1107	0	0	0	0	0	0	0	0	0	0	0	816	0	0	0	0	0	0	261	0	947	0	0	0	0	0	0	0	1217	0	1090	0	0	0	0	0	509	0	391	0	0	515	43629	0	0	0	0	0	0	742	0	539	3016	4414	0	865	2729	0	0	0	0	0	0	503	0	0	0	0	0	0	0	631	0	Peptide	0.5	1.6875	0.3125
14	C19 H31 O9 N1	418.20715	418.20767	-0.18616346	418.2071	89371	72268	71681	84000	59068	66894	81806	154412	91999	58456	43803	58770	112285	40639	124835	125393	109455	115500	132224	103779	105948	96120	132732	163015	114046	54323	58955	49453	137901	121268	78393	93618	125821	76543	77578	128980	85028	86699	91509	48227	46038	81312	3160	374	349	93177	61694	0	89174	115462	71912	75017	66843	462	158382	95091	44974	111943	124014	54385	159285	48846	100887	93942	54473	83982	69172	72589	49730	77099	37469	76985	85227	128539	95168	82536	0	78541	105719	56530	91687	60412	68972	41534	102420	78791	94318	48863	68486	77202	72623	87916	153481	47202	65176	1137	75332	120655	59774	79192	99520	126565	65790	117699	47773	81158	77364	0	71677	91805	Lipid	0.47368422	1.6315789	0.05263158
10	C19 H31 O9 N1	418.20715	418.2077	-0.19256614	418.2071	32998	29541	29943	27507	14818	12883	27502	57748	20698	23777	10135	21613	24278	9695	33315	38308	27704	24583	28477	32594	29166	24744	29504	48511	27959	16153	16153	8808	59337	49985	37158	43927	41132	37119	22280	52856	35479	21564	27552	12592	12145	20310	977	0	0	33559	17199	0	50201	41208	27216	26718	15960	0	30217	21486	12260	41779	30492	20554	38314	12565	17913	19731	10864	21729	21975	29599	13662	17777	18120	33460	35679	43813	31574	37121	0	23224	27655	9848	25912	13403	22175	9272	24351	21496	25788	15519	21401	29676	21248	26020	45049	11203	25350	0	28300	34328	13773	18919	27226	47598	25315	49251	15555	31459	18781	0	20435	20202	Lipid	0.47368422	1.6315789	0.05263158
8	C18 H31 O8 N3	418.21838	418.21906	0.014592849	418.21838	61083	56103	44087	57167	0	7557	1847	4191	988	26093	42416	2062	2732	0	3945	4559	0	2270	2649	0	0	6309	2386	3403	3691	0	0	577833	4538	3642	4344	5857	9045	4392	4021	4897	4221	2600	2691	0	0	4583	0	0	0	0	0	0	4290	3852	50346	52640	1464	0	1467	564	643	5993	0	0	0	0	952	1059	0	2999	1554	2346	0	0	0	3473	4028	3933	1313	2999	0	1997	3102	24253	2562	0	607	0	0	0	1286	1318	3607	3814	3751635	4350039	5258	36893	12588	0	60770	55931	1674	739	0	4011	2641	5248	0	2856	0	0	2286	2394	Peptide	0.44444445	1.7222222	0.16666667
4	C18 H31 O8 N3	418.21838	418.21912	-0.007328965	418.21838	2750	3460	3375	1849	2389	2285	1368	2334	2348	0	0	928	3361	1074	2688	2719	1053	2941	2435	0	0	2433	1918	2533	2338	0	1334	5362	2951	1202	2321	1918	3877	2319	760	2341	3113	1813	3370	0	0	1260	0	0	0	0	0	0	1599	1656	1988	1789	1698	0	3024	820	751	3097	618	0	3982	0	2675	2023	0	3743	1646	2214	0	0	0	2541	1677	2066	0	1555	0	1891	2328	5123	1679	0	584	0	1034	1600	1829	902	1749	2461	41971	26021	4015	943	0	0	2208	3222	2058	675	1041	3483	783	1071	0	3284	2547	0	1723	9040	Peptide	0.44444445	1.7222222	0.16666667
6	C18 H31 O8 N3	418.21838	418.21906	-0.03152302	418.21838	19597	20662	17961	20059	1199	22056	3630	12729	2093	10316	25909	2693	4457	1625	12937	6829	1219	4926	2410	0	0	4938	3413	5709	9515	0	3447	594031	8686	3426	7565	6672	15895	5075	2152	7950	10440	8323	2338	0	748	3655	0	0	0	0	0	0	7574	3902	25322	17860	2354	0	2055	908	965	8965	1016	0	7776	0	2852	1111	700	7112	3696	3089	0	0	0	4976	5770	5983	0	5257	0	2716	2484	27703	2108	418	980	0	1125	4778	2773	2678	3338	3890	1370444	1592991	6430	22473	7621	0	23301	19125	1163	899	1043	9822	3380	5658	0	7348	1355	0	4700	2444	Peptide	0.44444445	1.7222222	0.16666667
10	C18 H31 O8 N3	418.21838	418.21893	0.026440129	418.2184	18685	16245	8712	16647	0	4409	0	0	0	8341	8393	0	1221	0	1569	1796	1022	0	0	0	0	1736	0	1788	1405	0	1007	163949	1658	0	1109	2136	1365	1500	2054	2059	2557	1112	0	0	0	1306	0	0	0	0	0	0	1787	1675	13200	16041	920	0	0	0	0	0	0	0	0	0	1356	0	0	0	1137	0	0	0	0	1603	1949	1744	0	1022	0	0	0	6920	0	670	0	0	0	0	0	1245	1187	0	1124113	829398	1764	5170	2430	0	15426	14574	0	0	0	0	1551	2548	0	2105	0	0	784	0	Peptide	0.44444445	1.7222222	0.16666667
28	C23 H31 O6 N1	418.2224	418.22287	-0.14645404	418.22235	7485	8268	9747	8435	5540	4454	6106	12348	3119	5191	5693	3762	4902	3716	3859	19906	14602	3590	7196	4988	6575	8750	6290	20354	6685	12560	5439	7075	10420	11208	6539	10501	15964	7428	3817	11816	10197	4011	14261	7007	8163	4442	0	0	0	5092	2842	0	10269	9546	8734	8380	5668	0	5130	3227	2400	22107	3171	3778	20266	3217	4739	4021	1137	3831	5263	12190	13409	10580	17676	5440	6279	10444	9738	8707	0	6334	10253	5874	5049	1504	3638	2321	4480	2114	15779	5196	4798	35489	8276	13802	31000	3801	4553	0	7984	7515	2557	2779	4326	20279	4215	8055	2501	30192	3794	0	8064	3723	Lipid	0.26086956	1.3478261	0.04347826
16	C23 H31 O6 N1	418.2224	418.22287	-0.21094148	418.22232	54030	48302	49574	59647	31731	19155	44427	63256	25771	72558	51088	35302	29350	21081	37037	74590	73224	29793	39831	114668	103121	64129	43386	75468	43906	101014	41311	47441	54705	58952	45689	64230	74403	48623	80422	62478	68350	31886	71827	63385	69733	33544	831	0	0	43294	44983	0	71990	48930	53984	62397	29117	0	29273	21210	19604	70028	25923	42685	50327	38557	22086	21285	17693	28726	28894	68837	89496	117261	120600	42099	53834	46497	62138	59205	0	32053	49088	46532	36820	28788	32418	46013	32108	20560	60343	30477	28940	126798	55516	49022	97075	42157	71918	0	48126	59771	24023	18915	26669	71378	31870	55844	24052	78705	25326	0	49904	29326	Lipid	0.26086956	1.3478261	0.04347826
26	C23 H31 O6 N1	418.2224	418.22287	-0.12714717	418.22235	27248	20622	22346	23708	35527	15112	8813	18198	23154	30054	35171	12178	31805	15931	12612	26476	19585	27351	38461	45023	45522	25955	12585	29735	14489	60022	6956	39131	16107	20593	19061	20316	27682	19956	39021	17418	22246	8128	20142	34749	35298	15385	0	0	0	24619	19015	0	20390	15715	24949	20595	25049	0	20199	23072	13740	26835	15087	14229	32704	21404	22524	16142	8242	22938	26497	23464	65171	62039	74834	15315	19761	18026	11689	17473	0	11952	18815	18396	11655	10762	16317	25746	25675	13046	27031	19227	14865	32139	24767	27367	34543	22852	25722	0	24425	27653	17113	24525	24659	22087	12228	19131	14831	22674	19255	0	14161	24978	Lipid	0.26086956	1.3478261	0.04347826
14	C23 H31 O6 N1	418.2224	418.2229	-0.19337244	418.22232	41531	36992	40189	39660	19727	18868	25173	47075	15304	65413	33463	22552	7945	18075	25631	47971	49042	17234	26598	86690	86496	30912	27775	57738	27719	63607	25502	29124	45242	40561	37707	40954	55036	37942	68206	40747	42476	23591	53013	52802	36401	18710	0	0	0	38680	29996	0	41243	37316	39088	36896	13950	0	15550	11747	11739	49662	9684	20085	41259	24099	11464	12760	11231	20511	21645	39255	37926	85502	75017	37906	37005	48452	39127	42101	0	27708	30221	28371	27930	12444	16652	30921	15831	11425	38736	18480	22442	68775	55071	35457	63428	32301	50075	0	33834	36559	11451	12199	14180	50994	19120	45685	0	40928	10858	0	28547	13976	Lipid	0.26086956	1.3478261	0.04347826
8	C23 H31 O6 N1	418.2224	418.223	-0.18703125	418.22235	39333	39115	29680	39087	8294	11309	28632	58251	8082	55592	27232	27092	7087	4406	32836	52977	32396	10641	17201	78132	61380	38600	24951	64471	31644	30468	30027	21458	52658	42836	47077	53164	74435	41472	72501	49414	79394	25811	45430	48762	29251	13807	0	0	0	36885	30046	0	54511	46852	31530	35153	14000	0	12145	5724	9562	48563	0	4201	51542	17595	7214	10451	9759	13094	18930	53470	27859	53807	42029	49620	44652	47241	43990	41434	0	29649	26789	19395	25804	7763	7357	31390	4814	6650	23221	16824	19121	63900	32175	0	71595	27802	44671	0	39457	41929	3899	3574	4775	64054	27594	53379	12237	63829	5067	0	28647	8989	Lipid	0.26086956	1.3478261	0.04347826
10	C23 H31 O6 N1	418.2224	418.22296	-0.15734161	418.22235	48743	40978	41882	37066	13123	17209	30007	60115	11402	70126	40484	33474	12264	10487	30594	50192	44098	14236	21811	100320	87768	39827	30053	61552	34250	52191	27264	36403	59529	54837	46040	57964	72397	55091	98433	58137	74271	25360	50225	68744	31310	18971	0	0	0	45790	31088	0	61569	48610	40620	37840	11632	0	14710	6940	7658	50040	0	11015	54766	25432	8921	11173	9697	14785	20370	56110	36058	79282	64803	53753	55651	56297	46822	52594	0	35495	29738	31569	31022	10569	9024	34465	9041	9466	32852	20538	17742	58432	48202	15983	68881	30730	60565	0	47184	40688	8421	6721	6456	71126	28914	53461	0	49993	5694	0	28763	9387	Lipid	0.26086956	1.3478261	0.04347826
6	C23 H31 O6 N1	418.2224	418.22305	-0.16451836	418.22235	20775	20555	17113	22142	4182	6113	17840	34671	4325	26761	14296	17535	2813	2471	19637	35189	23180	6586	12240	36398	40311	24135	19793	41902	23139	18276	17773	11124	32212	27181	26236	31769	35850	27095	31295	32666	34153	17207	30407	20895	15583	7301	0	0	0	21777	13359	0	39244	31837	23563	18953	6219	0	5093	2340	4680	32867	0	2733	34912	11333	3068	3873	3735	4442	10261	35470	13844	24335	23563	26774	25003	31694	23919	25543	0	18544	14138	12928	17373	3593	4423	19502	2446	6731	17744	10049	9465	32477	13508	4204	43065	17167	31674	0	23410	20312	2950	1690	2890	37186	17537	30888	7711	37968	3854	0	18077	3403	Lipid	0.26086956	1.3478261	0.04347826
24	C23 H31 O6 N1	418.2224	418.22287	-0.15364447	418.22235	85788	78488	74359	74963	94219	58555	29844	68999	65702	112522	103475	39299	82962	45511	50290	86955	59049	79827	96650	144423	153261	85405	60730	89069	50862	205779	28529	95775	65427	56544	57062	64097	76089	75189	122333	70981	81446	37638	56650	116036	108413	46740	7182	0	0	88140	74001	0	72584	54454	81632	70186	68183	0	72310	63681	34860	88117	52663	39306	86247	81336	71632	57477	24678	85953	59243	60337	175096	192226	240790	71551	71893	57560	37292	55048	10448	43502	72843	59088	45548	53263	45012	81185	63202	44257	77056	51268	52407	89797	91799	102063	119987	65815	94704	0	73249	80401	44416	66778	62936	89257	35889	84617	55115	82275	58701	0	52495	83552	Lipid	0.26086956	1.3478261	0.04347826
26	C20 H35 O6 N1 S1	418.2258	418.22552	-0.015258523	418.22577	0	0	0	0	0	0	0	0	3742	0	0	0	0	0	0	0	0	0	0	0	0	3217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1730	0	0	2030	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2440	0	0	0	0	0	0	0	5438	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3555	0	0	4769	6916	4638	0	0	0	0	0	0	22596	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.3	1.75	0.05
0	C17 H31 O7 N5	418.2296	418.22995	0.011125178	418.2296	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33693	1042	0	0	0	1309	0	0	0	0	0	748	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43523	0	0	0	0	0	0	0	0	0	0	13040	9747	0	3454	0	0	0	0	394	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4117647	1.8235294	0.29411766
6	C17 H31 O7 N5	418.2296	418.23007	0.009261788	418.2296	0	0	0	0	0	1254	2446	1508	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1264	0	0	0	0	0	0	0	0	0	0	900	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1441	0	0	0	0	0	0	0	0	20852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	826	0	0	0	Peptide	0.4117647	1.8235294	0.29411766
2	C17 H31 O7 N5	418.2296	418.23047	0.19440602	418.2297	2463	2434	1626	2712	0	0	0	0	0	332	4320	0	0	0	1009	0	0	416	0	0	0	0	0	0	0	0	0	132449	0	0	0	0	1499	0	0	0	823	313	1261	0	0	0	0	0	0	0	207	0	0	0	2914	2418	0	0	0	0	0	0	0	0	0	0	0	0	0	566	0	640	0	0	0	0	0	0	0	0	0	362	0	297812	0	0	0	0	237	500	719	484	0	1442	84411	62638	0	18169	0	0	1842	1806	1079	0	369	776	0	0	0	723	220	0	409	0	Peptide	0.4117647	1.8235294	0.29411766
4	C17 H31 O7 N5	418.2296	418.23	-0.010750088	418.2296	1080	1031	1813	776	0	536	717	3053	406	0	0	614	0	0	1075	3484	2107	0	788	1140	1385	1032	1122	1208	1439	498	789	4444	861	998	1348	1360	1654	1270	1704	1539	1783	1125	2597	1197	1094	539	0	0	0	0	876	0	1227	1821	815	1015	426	0	581	0	0	1353	0	0	3663	0	0	0	0	380	432	1789	0	0	0	1116	1027	1463	1847	955	0	729	1440	21193	960	0	586	1119	821	0	659	533	0	2677	24788	18312	4556	2535	1730	0	711	1526	0	0	313	1081	830	1645	0	2457	0	0	1405	0	Peptide	0.4117647	1.8235294	0.29411766
16	C20 H35 O8 N1	418.24353	418.24405	-0.1467408	418.24347	9619	5726	8171	7575	4726	4997	25056	12415	3204	3507	2341	8096	8576	6851	15519	16356	13354	10457	10159	2972	3305	5203	6350	9174	13215	3543	15526	4710	13497	12093	8554	16528	10610	7652	2098	18121	13438	10131	13132	1194	1871	7296	877	0	0	5017	1880	0	12927	12521	6294	7324	6487	315	8246	8544	3260	10789	4556	1958	9254	1065	6614	6258	4732	5076	9471	9765	0	0	2192	6861	9520	14268	13276	10439	0	6702	10175	4198	5923	3571	38455	16536	12251	7325	11453	4938	9267	0	11943	6758	0	1389	2809	0	7521	10072	5867	8997	11789	16993	5516	7060	0	0	7550	0	8199	7432	Lipid	0.4	1.75	0.05
24	C20 H35 O8 N1	418.24353	418.24393	-0.17823513	418.24347	7425	5953	6325	7713	6868	6185	8734	21112	6735	2947	4734	1310	15770	11077	7143	5680	2027	13706	13933	2636	3228	4053	2000	4854	6099	1382	6265	50500	6370	4787	3990	5066	5263	6726	6027	8136	10279	5560	2061	1018	1999	2774	0	0	0	2682	1620	0	7158	2647	4156	4545	6280	0	8884	3942	2691	6006	6125	1696	5406	1546	9309	6535	4789	13316	7758	4439	0	2212	0	4706	6070	5474	0	2738	9071	2621	1927	5286	2359	6186	9742	4106	6235	7870	6335	3608	4544	13831	25860	21015	5383	3220	3434	0	8500	8627	1266	29125	3239	5705	1589	4584	13733	6632	2206	0	2624	10685	Lipid	0.4	1.75	0.05
20	C20 H35 O8 N1	418.24353	418.244	-0.18285188	418.24347	22508	23148	25095	14719	17957	24648	60369	32937	22576	10167	5870	12139	33068	21335	32502	25397	15236	35555	40240	13881	6770	11824	21061	28945	28798	8797	40969	9712	42429	29798	29656	34443	40265	33164	12404	39340	40241	26145	10855	7937	3689	17628	2722	0	0	10165	4691	0	34577	22262	23706	18650	19919	699	44762	18512	15995	30096	21229	7970	27919	5347	23583	27949	20909	36171	34405	16337	2307	5470	4953	25022	30250	33561	18555	25166	0	19881	23616	13401	14036	6216	81896	39971	17968	21879	23871	18550	22073	10542	40711	34435	37859	4746	12035	0	22705	24808	10600	16664	27795	38742	15634	20597	14825	27468	17333	0	17176	29214	Lipid	0.4	1.75	0.05
12	C24 H32 O2 N3 Na1	418.2465	418.2472	0.2521692	418.2466	2126	0	0	0	13312	2949	0	29536	0	0	0	0	9464	15519	0	10939	0	15082	0	5235	12886	0	0	0	0	1244	0	0	21413	1004	13481	4086	13863	3523	78972	3616	1612	0	0	12296	0	2530	0	0	0	14358	0	0	4302	3048	2004	1796	5394	5346	0	0	1679	3833	0	0	0	3144	6851	123757	0	3666	4450	0	0	21382	0	2870	36577	16853	4657	0	0	0	0	0	0	0	0	0	0	0	0	4036	6250	6169	9687	5416	2373	0	0	814	0	6840	1928	0	0	3102	1058	62852	0	5725	0	0	0	1692	Lipid	0.083333336	1.3333334	0.125
10	C24 H35 O5 N1	418.2588	418.2594	-0.08894621	418.25876	16621	12003	13822	18952	1056	1424	13095	30355	0	14546	5913	17311	0	0	17192	29619	12522	2084	5605	23407	19156	10304	12551	32411	25786	10608	15898	8524	23524	21531	27128	27540	32462	19069	21117	24406	31373	12482	11350	15960	1925	6308	0	0	0	9835	5362	0	31124	28503	21640	17039	3694	0	1567	0	1805	35496	0	0	27388	3301	0	1909	2687	1517	6777	22380	0	12099	7716	25654	20590	26006	17925	21335	0	16272	8636	5853	9948	0	1266	9091	0	1495	10737	5515	6780	77881	39280	5112	72489	10535	21497	0	12876	18619	1570	0	1085	30628	13912	16109	0	38646	1454	0	12502	1677	Lipid	0.20833333	1.4583334	0.041666668
26	C24 H35 O5 N1	418.2588	418.25928	-0.15571544	418.25873	33410	28506	31797	31089	37601	17497	17132	34947	30524	31073	44626	15374	32893	19078	21890	37658	20685	31769	47695	55653	48098	30388	14715	28711	30839	93845	11585	47803	33159	32108	24199	34985	37083	31824	41215	43053	36875	20246	26112	43398	39681	22762	0	0	0	26262	22277	0	27620	21659	31658	31276	31868	0	34774	31051	21196	38973	20615	21266	34572	24858	20661	22171	14007	33840	32416	26413	88866	75524	81859	25529	27716	23870	14243	29761	0	20139	37733	50893	15491	25358	23418	36378	27959	20277	56782	18562	22259	56133	42925	52128	48564	29917	30388	0	30952	29668	19525	30776	35240	36042	15484	43379	21720	29326	26082	0	36368	24795	Lipid	0.20833333	1.4583334	0.041666668
28	C24 H35 O5 N1	418.2588	418.2592	-0.17122643	418.25873	1908	2281	3518	2557	4148	0	3860	2971	2391	1373	3660	1588	2543	1532	0	6112	4404	2598	3316	3036	3569	1764	0	3074	3997	10516	2437	7701	3749	3669	2217	8309	4953	2939	3444	4745	2708	1767	4045	4267	3313	0	0	0	0	0	0	0	2550	3844	2823	4281	2415	0	4189	2006	1413	6469	1746	0	4770	1864	822	1340	0	2167	2565	6199	11250	5635	10037	1713	2149	3375	3826	2775	0	1585	5226	30573	1653	2248	1395	3225	2074	0	7633	1991	1291	7704	6744	5675	3752	8165	1838	0	2200	3387	1862	2650	4110	5852	1512	3269	0	5533	3080	0	2583	1201	Lipid	0.20833333	1.4583334	0.041666668
12	C24 H35 O5 N1	418.2588	418.25934	-0.12954289	418.25876	12557	13152	15331	16164	2015	4382	8768	35220	1194	13848	10755	14594	1848	2157	15369	25258	15343	2365	4951	24314	19058	11804	11260	30122	16818	11371	17201	0	27473	26968	25766	32143	33478	25389	22631	28344	28088	14204	16319	13361	0	6879	0	0	0	8762	6783	0	31591	28681	13252	15222	4589	0	0	1017	3247	26417	0	0	0	0	0	1510	2031	1898	5662	27161	0	16115	14055	27775	24614	29326	22907	25117	0	19183	8220	0	10216	0	0	10647	1622	1156	10266	6036	7403	88997	29431	1997	50512	8627	20197	0	13822	18523	0	0	0	29922	13994	15862	0	33095	1091	0	9712	1473	Lipid	0.20833333	1.4583334	0.041666668
8	C24 H35 O5 N1	418.2588	418.25937	-0.13620603	418.25873	8663	10613	5735	8141	0	986	6569	20036	714	8020	6461	8585	0	0	11005	18489	10271	0	1836	16661	10186	3892	8249	18918	10628	3612	9188	3975	14856	14415	14752	13540	16273	10405	9603	12618	18377	8372	9782	8897	1352	2134	0	0	0	7136	2338	0	15677	16130	9498	9988	1118	0	0	0	1000	17397	0	0	12494	3448	0	0	2837	0	3298	11000	0	6650	2504	16691	11988	19482	13396	11855	0	10629	6192	5554	6460	0	0	7023	0	0	5271	2914	4195	22051	11897	0	27625	6681	12393	0	12617	8825	0	0	0	15252	7721	8740	0	17832	0	0	7700	971	Lipid	0.20833333	1.4583334	0.041666668
20	C24 H35 O5 N1	418.2588	418.25922	-0.19769605	418.25873	17504	18170	21962	13420	11853	7493	16274	20764	11809	21228	20414	16852	7634	10328	11972	35355	39574	6659	10361	23463	23064	16818	14882	20965	14989	40843	15640	19981	21720	18581	18020	20379	21170	18725	21715	24918	17559	11070	36471	18410	28509	12306	0	0	0	11495	16952	0	18333	22416	17385	22437	11680	0	9092	7452	7800	27118	10153	25769	28209	8961	6029	7636	10482	5953	8998	45563	27699	40243	56891	13785	17136	22699	33387	19593	0	13323	17685	16043	11699	6594	12477	14344	14730	9292	21738	12116	9685	60780	31981	17171	35517	12684	20999	0	23036	16551	9548	12100	13155	28786	14588	22436	6737	23516	11432	0	21228	8342	Lipid	0.20833333	1.4583334	0.041666668
18	C24 H35 O5 N1	418.2588	418.25928	-0.1036564	418.25876	6491	6676	5599	3683	2485	3121	5557	4832	1553	7983	9788	5283	0	1123	3622	10769	12426	3688	2813	6625	9589	2915	3430	10546	6825	14677	7402	8318	13626	7194	8766	6517	15748	9472	4115	7616	7068	6694	13428	4659	7930	3501	0	0	0	4464	4283	0	7223	5235	10770	8663	3371	0	0	0	2351	15818	3008	3750	10039	2438	1794	0	2792	2125	5139	17934	10843	8226	16533	5914	8080	7279	12200	8977	0	4084	5414	4105	4617	1451	2968	4489	2704	1155	10199	2799	2934	27180	17579	3311	12502	6465	7538	0	9275	7944	2307	1301	1861	15268	6684	6224	2181	12340	2315	0	7832	0	Lipid	0.20833333	1.4583334	0.041666668
16	C24 H35 O5 N1	418.2588	418.25928	-0.15567431	418.25873	5313	9882	10140	8945	1937	1766	8084	19505	0	10558	8467	8884	0	1064	6398	13322	13470	0	3578	9693	7245	4802	4148	16132	7395	9839	11752	7618	19479	20047	16680	25971	20682	13667	8436	14054	17847	8804	9707	10165	4691	3998	524	0	0	5109	6682	0	23736	17952	6856	8706	3695	0	0	0	915	12641	0	4161	16090	4113	0	1189	2785	2009	4474	18771	4032	11797	5072	16916	16843	18441	13723	11905	0	10508	5024	4465	4709	0	2078	5562	0	1123	4312	7076	3949	29935	18895	3668	0	6097	7698	0	4932	9616	0	1217	1472	15318	5578	11654	0	21276	2055	0	5699	0	Lipid	0.20833333	1.4583334	0.041666668
14	C24 H35 O5 N1	418.2588	418.25925	-0.15976532	418.25873	7213	7687	9053	8238	0	1917	7069	17751	1819	12534	4276	9666	0	2026	10898	15748	7388	0	3031	18345	16469	4211	5807	8327	11274	7776	10156	9111	19052	22848	12418	18011	15817	15877	10639	16311	19826	7535	5082	9333	0	4036	0	0	0	3385	4616	0	16320	15677	7703	9257	1890	0	0	0	1835	13771	0	0	0	0	0	0	906	1769	4665	9995	0	13530	6636	14551	15056	69700	11196	19028	0	23006	5648	0	5058	0	0	5129	1869	0	5397	3647	2902	59761	22573	2226	37774	5169	9147	0	6863	10607	0	0	0	20325	13423	5118	0	18422	0	0	3058	0	Lipid	0.20833333	1.4583334	0.041666668
26	C21 H39 O7 N1	418.27994	418.2799	-0.20763266	418.27985	2939	0	2716	2494	34139	0	17043	0	0	0	0	0	0	14127	0	0	0	0	0	0	0	0	0	0	0	0	6912	14159	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29088	0	0	0	3940	0	0	0	0	0	0	0	5613	2766	4635	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11107	0	0	0	0	0	0	0	17328	18380	0	0	0	0	0	0	5276	0	0	0	0	0	14227	0	75862	0	0	0	Lipid	0.33333334	1.8571428	0.04761905
22	C21 H39 O7 N1	418.27994	418.2802	-0.19158573	418.27985	0	2427	2086	1771	0	0	54414	0	0	0	0	0	0	0	1692	0	0	0	0	0	0	0	0	0	3633	2163	22119	1686	0	0	0	0	1318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1440	0	0	0	247	0	0	0	1458	0	0	2658	0	0	0	3800	1709	2291	0	0	0	0	0	0	1571	0	1315	0	0	0	3709	0	0	29039	10795	0	0	0	0	0	0	11463	4734	1875	0	0	0	1571	1570	0	0	2310	0	0	0	3260	0	0	0	0	0	Lipid	0.33333334	1.8571428	0.04761905
24	C21 H39 O7 N1	418.27994	418.28027	-0.21473448	418.27985	1499	1659	1352	1127	2135	1400	59154	0	0	0	1035	0	1772	5258	0	1537	0	2465	0	0	0	0	0	0	0	3344	32142	12545	0	0	0	1117	0	1094	0	0	0	858	0	0	0	0	2489	0	0	0	6241	0	0	0	954	1154	0	0	0	0	0	0	2377	892	0	0	1929	0	6888	4347	4146	0	0	0	1679	0	1129	0	0	0	0	0	0	8356	0	1511	18924	8968	0	0	1238	0	0	0	25200	15839	0	1801	0	0	3476	1345	1642	0	2116	1464	0	1431	17500	0	0	0	0	0	Lipid	0.33333334	1.8571428	0.04761905
26	C25 H39 O4 N1	418.2952	418.29547	-0.2452918	418.29507	6199	4482	6452	4750	8192	0	7132	0	3459	2532	7852	0	3749	2574	0	7380	6776	0	4035	5088	0	3417	0	0	10099	21892	2908	7715	5044	10122	5283	5598	7338	5565	2659	11736	4781	4027	7887	4372	4615	0	0	0	0	0	0	0	4582	9670	3541	4333	4609	0	0	0	0	6897	4255	3994	8232	0	2490	0	0	3338	5862	7586	10198	6569	8832	3842	3720	6784	6583	7307	0	5255	3149	11729	2816	0	7161	5484	0	0	32867	4106	2572	34243	5798	10269	5119	5636	0	0	5426	0	3234	5963	7124	12348	2917	0	0	5085	4405	0	9182	0	Lipid	0.16	1.56	0.04
24	C25 H39 O4 N1	418.2952	418.29553	-0.20309053	418.2951	3307	3318	3415	3462	1365	0	1941	3573	4471	0	3183	4726	0	5694	1648	5562	8197	2556	2675	3739	2656	0	1423	1648	2949	7954	0	3693	8341	4857	3228	4060	2655	2267	0	5609	1609	945	6478	2291	2897	1578	0	0	0	0	1402	0	3822	6332	2541	1902	1542	0	5934	2568	1819	3798	0	4612	5026	0	0	2409	0	0	2751	7910	3661	1470	6641	3295	1487	5906	5287	3349	0	2958	3784	2983	2047	1056	2995	1280	3276	0	14105	2995	2058	26899	5344	3645	2934	1806	1752	0	2082	2590	2313	5967	3005	3175	2229	2831	0	2753	4182	0	4552	2049	Lipid	0.16	1.56	0.04
10	C16 H11 O10 S1 Na1	419.00433	419.00443	-1.1489677	419.00385	0	0	0	0	3652	0	0	0	0	0	0	0	0	48109	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1740	2705	0	0	0	0	0	0	0	0	0	2748	0	0	1773	1939	0	0	0	0	0	0	0	1349	0	3392	0	0	0	0	0	0	0	2191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	725	0	0	0	0	0	0	3563	0	0	0	Organosulfur	0.625	0.6875	0.0
26	C18 H10 O12	419.0245	419.02487	-0.07304002	419.02448	0	3052	0	2240	10010	4790	1543	0	8218	0	0	0	18771	5293	0	0	0	16905	12226	0	0	0	0	0	0	0	0	0	0	0	0	0	1462	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2386	2369	6952	0	10335	7508	0	0	0	0	0	0	23335	10791	0	12611	2316	0	0	0	0	0	0	0	0	0	0	0	6347	0	6916	0	0	0	12290	0	3502	3307	4192	1678	0	0	0	0	0	0	2225	0	4105	11009	8283	0	0	0	0	0	5052	0	0	21691	Phytochemical	0.6666667	0.5555556	0.0
28	C18 H10 O12	419.0245	419.02487	-0.06477399	419.02448	4249	4908	3021	5765	14052	5610	1562	0	10538	0	0	1970	25346	10475	2750	0	0	24893	22368	0	0	2013	5261	0	0	0	1905	0	0	0	1545	0	2792	0	894	0	1505	2132	0	0	1791	3137	0	0	0	0	0	2062	0	0	4402	4228	8881	0	14796	9771	3835	1084	0	0	1785	0	31150	11344	5352	20006	4219	1642	0	0	0	0	0	0	0	0	0	2667	7693	0	10167	0	0	0	19517	5474	6498	4289	5232	3387	0	0	0	1511	0	0	6879	3678	5723	13291	20796	2709	1411	0	0	0	8995	0	1422	23031	Phytochemical	0.6666667	0.5555556	0.0
12	C19 H14 O11	419.06088	419.06152	0.054062713	419.0609	15793	20122	12025	16321	33853	13285	0	3626	39947	17420	24078	5455	34792	8182	3246	4642	0	25098	38050	11858	24292	37165	11577	4552	0	1063	2223	0	1388	1379	982	0	2612	0	30615	0	7593	6970	2600	6468	21611	9357	324	0	0	9000	26311	0	1292	2129	16616	21336	17886	0	29852	32636	16450	3318	0	0	0	7098	76370	33278	12344	41131	12525	5551	0	2418	14607	0	1686	0	3183	1198	0	3118	14219	0	11346	11980	0	919	42457	11376	10223	10694	12307	7483	0	3107	6058	57570	20623	0	16050	11918	42607	52994	41259	5868	4034	0	0	3363	29304	0	1279	57700	Phytochemical	0.57894737	0.7368421	0.0
14	C19 H14 O11	419.06088	419.06143	-0.04819965	419.06088	28059	25739	28576	26047	58724	27408	4201	5275	73163	35846	33269	9705	92402	21647	10170	8079	4506	60361	58623	19592	42733	82360	18360	6144	2414	1359	5514	9214	2477	2660	3370	0	9358	1999	60060	0	5902	12334	3988	16366	32941	20518	0	0	0	18888	43842	585	4556	3681	23824	24926	36096	0	54447	56540	24327	7691	5486	9141	0	17169	101812	67183	24926	62791	22587	8053	0	3971	9302	2728	2139	0	5212	4650	0	7218	29176	44900	22294	25908	3059	4041	80971	22236	20620	23571	25132	15430	4778	9075	6864	93447	51749	0	28521	22716	55768	82499	70180	9691	6838	3705	25278	9785	48299	0	3871	96003	Phytochemical	0.57894737	0.7368421	0.0
22	C19 H14 O11	419.06088	419.06143	-0.011135933	419.06088	26436	15686	17602	20500	67936	25454	4784	3538	70204	17332	8000	5450	95492	29118	12216	6200	0	74220	58708	4426	7570	34746	21148	5336	3596	4752	4630	3488	0	0	2590	0	3006	0	12752	0	7052	12826	3356	0	15030	7184	0	0	1410	14172	17930	0	0	3476	20010	25036	35270	880	81582	57632	28386	4818	4650	6166	0	8242	116988	59520	13390	77622	13674	2620	8412	4090	7648	0	0	0	2138	0	2110	8050	35474	21136	34470	15416	3208	3166	96462	38746	25402	10496	10482	3936	0	0	7304	36462	38328	0	28836	22402	47586	81322	83132	2898	6670	4042	8712	0	56112	0	6934	125362	Phytochemical	0.57894737	0.7368421	0.0
28	C19 H14 O11	419.06088	419.06134	-0.023801645	419.06088	9358	8434	9484	7321	20175	10943	2532	0	21639	5164	1139	1985	39610	12110	7168	4555	0	36090	24298	4047	3068	8865	7872	3929	3637	0	1920	0	1959	0	2447	0	4223	1265	6253	0	3238	4947	1849	1578	4556	3527	0	0	0	3060	4143	1944	1490	0	6804	7801	11181	0	26901	16304	7209	2551	1739	1191	3371	2262	39790	16567	5511	23141	4810	2616	0	0	3988	1323	0	0	0	0	0	3109	13543	6859	12661	2557	1575	0	30129	11995	7607	5049	4738	2481	1227	2684	4010	8484	9649	0	9329	9448	9840	17524	20367	4916	1610	2297	4447	3587	14963	0	3908	33048	Phytochemical	0.57894737	0.7368421	0.0
20	C19 H14 O11	419.06088	419.06143	0.002547694	419.06088	14812	13860	17317	11342	49004	19556	3360	0	44448	13516	4593	4153	93704	21594	7148	3472	3028	56668	42705	7324	5170	34358	12886	5138	4270	2710	3061	0	1682	0	1275	2326	0	0	12563	0	7923	7635	4548	5712	10321	11381	1254	0	851	9293	19697	2833	0	1410	15585	16308	27251	292	50022	53396	17209	4501	6030	3686	3090	8364	81441	49778	12638	59475	12784	4913	3803	1695	6480	1249	0	0	0	0	959	5634	24792	24315	20305	10841	2092	0	53546	30507	17065	13364	13717	4058	2771	5161	6320	28671	25353	480	14888	17412	30267	53659	53881	4174	3864	3629	10315	2436	39069	0	3266	91995	Phytochemical	0.57894737	0.7368421	0.0
24	C19 H14 O11	419.06088	419.06137	0.02427783	419.0609	9326	7502	7735	7957	24159	11975	1295	1316	24611	5346	2324	1742	52304	11042	3408	3519	0	33932	24466	3415	4747	10871	7804	3297	2219	0	0	1771	0	0	0	0	3237	0	7239	0	3094	5107	1438	1501	2852	3818	0	0	0	6584	6971	0	1114	0	8375	8198	15597	0	30630	23518	7377	2335	1825	1086	0	2123	51617	25673	4679	26077	5326	0	2002	0	3173	0	906	0	0	0	0	1553	18674	5380	16475	3168	1222	0	34506	14465	11395	4392	7588	1771	1543	1335	1511	14310	12686	0	6069	9515	15461	27113	28267	1220	1821	0	4280	2247	16725	0	2975	44776	Phytochemical	0.57894737	0.7368421	0.0
10	C19 H14 O11	419.06088	419.06152	0.001049295	419.06088	7814	8633	3881	5514	16134	5705	0	0	20459	6523	6458	1121	26069	4277	2166	0	1516	12547	14845	2913	9818	12736	3630	0	0	0	866	0	0	0	0	1095	0	0	16370	0	1866	2220	2114	1536	3516	2776	0	0	0	2595	8464	0	0	0	4261	6354	6936	0	13861	15917	4970	1585	0	1751	0	2353	41560	15091	5133	16371	4201	0	0	0	2537	0	0	0	0	0	0	0	6012	0	3522	2336	0	0	19795	6445	4217	3788	4683	3254	0	0	1885	14448	8167	0	5674	3894	17941	26114	19977	1379	1578	0	0	0	13920	0	0	25175	Phytochemical	0.57894737	0.7368421	0.0
16	C19 H14 O11	419.06088	419.06143	-0.01293926	419.06088	28100	32200	31480	29875	72628	37662	5861	2396	83517	38567	32447	13047	127915	27689	14558	5698	6104	77888	76977	22079	37490	73511	28667	7895	3375	2158	6308	4885	2023	1460	4603	3464	11541	3038	42852	0	13319	13454	4902	13442	28510	16754	1979	0	0	18210	40639	1624	5648	2470	32578	25444	43180	0	67850	71286	29652	7073	7228	11188	0	17377	139049	75634	21067	85059	23992	4381	11152	4618	9264	3610	3465	0	4115	2458	319	7191	38798	44055	26334	27377	2042	6039	90118	31782	25907	23268	23126	0	4730	12262	0	90972	53472	0	36569	24445	56021	93254	77384	8817	8531	3742	25318	0	61866	0	6240	128091	Phytochemical	0.57894737	0.7368421	0.0
26	C19 H14 O11	419.06088	419.06125	-0.15660241	419.06082	7732	8162	7477	5557	21944	11878	1482	0	21148	6594	0	3010	40237	12158	0	5343	0	38854	23043	0	0	8067	6187	0	0	0	1970	0	0	0	0	0	3284	0	8672	0	2580	4604	0	0	2442	0	0	0	0	0	6415	0	2150	0	6529	8209	12709	0	28704	17463	6423	2059	0	0	0	0	43937	25271	3740	21639	5548	0	0	2042	2068	0	0	0	0	0	0	0	12144	5234	15065	2889	0	0	25612	15850	8146	5960	4853	0	0	1938	0	6676	11268	0	7041	7384	10228	20987	17561	0	0	0	0	0	13385	0	3060	41648	Phytochemical	0.57894737	0.7368421	0.0
18	C19 H14 O11	419.06088	419.0614	-0.013602015	419.06088	29273	24960	24721	27293	59008	28050	5659	3653	66451	27884	15231	8058	109432	25931	17160	4407	5621	79479	69798	6464	26431	41409	22406	4961	4295	1811	7100	7454	0	1338	2849	3766	11200	0	29856	0	6137	11282	1801	12044	16263	12737	1599	0	593	13453	33218	1619	5820	1514	24947	25257	31048	0	71803	54715	28988	3204	5257	4692	9385	13721	125250	63971	24959	92556	23224	6961	8795	4005	9997	3318	3500	0	2710	0	617	7689	33239	37161	25556	24182	1706	5099	96445	37913	26107	21593	20147	6866	2957	13515	8573	57566	37561	0	26764	20397	44073	83638	76147	5637	5392	5231	18529	7432	51355	538	5648	112227	Phytochemical	0.57894737	0.7368421	0.0
14	C18 H14 O10 N2	419.0721	419.07275	0.057419587	419.07214	7060	4070	5188	7622	19052	2958	0	0	21680	8748	9250	0	38650	3404	3246	5006	4056	15512	13428	3668	22634	40582	5318	0	0	0	2416	0	0	0	0	0	5362	0	25094	0	3170	3764	3016	13708	36660	1002	0	0	0	7540	24524	0	0	0	0	0	8324	0	19742	18774	5834	3704	0	0	0	17114	44596	27922	4020	22308	5162	3010	0	0	0	0	0	0	1253	0	0	3217	6306	0	2374	10956	0	2336	17298	0	6082	9172	7510	15858	0	4600	8386	33694	14082	0	7200	9264	16677	25413	17350	5758	0	0	0	3514	9833	0	0	41732	Phytochemical	0.5555556	0.7777778	0.11111111
16	C18 H14 O10 N2	419.0721	419.07275	0.05852081	419.07214	2202	5157	2034	3413	6620	4434	0	0	10214	6611	3685	0	16097	1747	2954	1868	3586	12253	5122	1853	6752	18899	1418	0	0	0	1329	0	0	0	0	0	0	0	8977	0	0	1112	0	6131	15138	3521	335	0	0	3664	15087	0	0	0	5048	4533	2644	0	7828	6784	3480	0	0	0	0	5821	16957	10255	2730	9239	2781	1616	0	0	0	0	0	0	0	0	0	0	3801	7664	2968	3949	0	0	8353	1679	2457	4248	1860	0	0	2113	0	20122	11832	0	3692	3739	2977	8293	8686	1879	0	0	0	0	5067	0	0	21638	Phytochemical	0.5555556	0.7777778	0.11111111
10	C18 H14 O10 N2	419.0721	419.07297	0.09291385	419.07217	0	3564	3486	0	7982	2118	0	0	12746	6986	3564	0	15328	2592	0	0	0	8748	8032	0	7826	13926	2970	0	0	0	0	0	0	0	0	0	2988	0	10698	1098	0	0	0	4030	10210	1602	0	0	0	0	8952	0	0	0	0	5094	5892	0	11218	7730	0	0	0	0	0	4526	32126	9496	2516	12171	2052	0	0	0	0	0	0	0	0	0	0	0	3640	0	0	1031	0	0	14182	2756	0	3866	970	3352	0	0	0	13068	7292	0	3168	2974	6832	15116	10202	0	0	0	0	2214	6774	0	0	17214	Phytochemical	0.5555556	0.7777778	0.11111111
12	C18 H14 O10 N2	419.0721	419.07278	0.021749182	419.07214	2654	1533	1630	0	7600	1766	0	0	12142	4460	0	1168	17554	1001	1395	0	0	4490	8337	4220	6132	14219	2086	0	0	0	0	0	0	0	0	0	0	0	7426	0	2550	1693	1490	5875	16185	1221	0	0	0	0	11210	0	0	0	2680	2456	2137	0	14085	6470	2413	0	0	0	0	9026	22479	9916	1967	8518	2078	0	0	0	0	0	0	0	0	0	0	0	2555	0	0	4024	0	1292	11873	2324	1687	3537	2341	0	0	0	0	16778	3378	0	2483	2430	4639	8245	8741	0	0	0	0	0	4011	0	0	17056	Phytochemical	0.5555556	0.7777778	0.11111111
18	C19 H18 O7 N2 S1	419.09076	419.09137	0.25895658	419.09085	19312	0	10648	9128	1818	0	5084	0	12162	8680	0	952	9821	7076	0	0	6300	12884	0	11328	0	21224	7538	0	0	0	0	0	0	0	0	0	0	0	0	0	7424	0	0	10919	9740	5904	0	0	0	14700	10864	0	0	0	0	13192	5124	0	0	0	1434	4812	7189	4248	0	13237	0	10319	0	11904	5072	0	8512	10320	19428	1888	0	0	2235	0	0	0	8601	21357	9376	8304	5028	10752	9263	0	12192	12396	5000	7192	0	11044	8616	31615	21964	0	12712	0	1205	1974	10112	0	0	0	10544	8250	7456	0	5228	4321	Organosulfur	0.36842105	0.94736844	0.10526316
10	C24 H18 O5 S1	419.09476	419.0953	-0.24083777	419.09467	2340	0	0	0	2383	1719	0	0	2225	3911	2346	0	2718	2888	0	0	0	1661	1932	0	1871	0	1165	0	0	2610	0	0	0	0	0	2054	0	0	2570	0	1414	0	0	0	2080	1117	764	0	0	0	0	0	1198	0	2259	0	2013	0	2295	2456	1321	1395	0	0	0	3233	2388	2536	1156	0	0	0	0	3905	5456	0	0	0	21033	1153	0	1357	1273	0	1790	2181	0	0	2763	1403	0	1123	0	0	0	2154	2446	0	0	0	0	0	0	1711	1143	0	951	0	0	1647	3512	0	0	3112	Organosulfur	0.20833333	0.75	0.0
28	C20 H18 O10	419.09726	419.0977	-0.096374266	419.09723	9835	8268	8036	7782	15827	10321	1669	2898	16882	21085	6050	1827	30441	7163	4445	4132	2852	21199	21325	13029	12538	17002	8288	3744	4702	6601	2884	3468	0	0	2810	2055	4010	0	21512	0	4051	5026	1878	6628	5741	3987	1536	0	0	9863	12106	1228	2034	0	9457	9530	10679	0	20873	15928	5552	3448	3337	2793	4266	6392	24679	14888	5523	19813	5712	2000	9502	15271	14054	2906	1185	0	0	2703	0	2500	9279	8360	9163	6604	2654	3800	17281	12753	6517	3088	3793	3388	4733	5981	5344	10127	21486	0	8605	10758	11061	14390	14993	4806	3128	2644	8954	4292	11029	0	3301	24404	Phytochemical	0.5	0.9	0.0
24	C20 H18 O10	419.09726	419.09775	-0.003949942	419.09726	39760	42002	27618	31016	71906	37376	9006	5312	72772	95638	25330	9756	132558	33170	18240	14106	4006	80544	82404	47576	65094	74640	26432	7226	11568	31114	8320	17456	4550	4464	3030	3476	10220	4062	86206	5252	12186	14382	3478	28978	27801	13558	3824	0	0	51354	60892	0	5618	7536	30322	30066	41236	0	103106	68222	24448	8544	15648	5194	8612	28376	120432	74304	25170	84144	23300	5660	30290	53792	52686	5062	3336	0	2686	0	0	6598	44202	40336	40990	37624	7630	19380	93400	38232	29678	15732	22014	5264	6646	8914	15100	58572	105690	0	38314	34694	54508	68280	72130	7930	7192	9192	40998	10396	55006	0	7330	132546	Phytochemical	0.5	0.9	0.0
22	C20 H18 O10	419.09726	419.09778	-0.025134105	419.09726	35923	33005	33746	37549	68431	32422	6338	8805	67704	86866	27788	5651	93048	34044	17220	11134	4613	78834	51552	51453	49413	67048	23889	14008	17439	28675	6289	14014	3678	6043	8008	5102	11849	7877	74133	5133	13969	13788	7341	36303	28687	12695	3252	0	649	44668	59257	0	9930	5289	29898	37942	41776	802	71339	65470	29346	14833	10639	6873	11263	25660	115140	70786	26536	69848	22044	7557	33288	44831	46085	10233	4813	3399	4427	5548	1197	10624	37642	34709	30090	48058	8337	24576	74429	33494	28177	14399	19027	7185	13878	23608	19706	52930	75732	0	38766	32499	49622	66581	54916	11555	9041	9348	36155	11583	54711	0	10020	120217	Phytochemical	0.5	0.9	0.0
20	C20 H18 O10	419.09726	419.09772	-0.092860185	419.09723	77272	71793	74289	64071	119656	75279	26670	22084	135419	182401	74971	21566	219204	74242	42625	26227	14351	158197	149699	127457	131817	137893	51153	37728	33542	61052	22181	50109	22171	14174	20720	17912	38940	18446	176528	15709	44543	37490	15763	77447	71383	31657	4809	1240	1155	107443	114129	2937	24564	19903	75779	70947	77910	1193	139239	105464	45501	32065	34043	15808	29061	73041	197972	116391	47420	131787	47278	16605	70139	96943	90887	20211	14826	12982	13143	17821	1007	26497	65522	85813	49453	88398	25745	47820	128142	67507	59897	38972	46448	24198	35193	51809	48492	125477	136081	1627	71801	68485	95191	125870	119288	30592	24426	31240	80618	35956	90643	1516	24455	214738	Phytochemical	0.5	0.9	0.0
26	C20 H18 O10	419.09726	419.09772	-0.049454257	419.09726	13901	12141	10684	10388	21163	15886	2075	0	22209	29664	5303	0	49996	10647	0	0	0	32008	27231	13784	15035	22239	5351	0	0	5104	2207	0	0	0	0	5991	4439	0	26158	0	4436	4614	0	8630	9751	0	0	0	0	12640	20202	0	2590	0	12494	11727	13463	0	32781	24023	6962	2816	3245	0	0	7216	43002	21048	4381	24041	7738	0	9395	17507	16080	0	0	0	0	0	0	0	13856	10865	12106	9693	2881	5595	23407	16523	7710	5542	6186	0	4397	3954	6471	15953	34460	0	8432	13651	16532	22179	26775	0	2731	0	9019	2857	14509	0	2598	42336	Phytochemical	0.5	0.9	0.0
10	C20 H18 O10	419.09726	419.09787	-0.04155699	419.09726	61844	63380	49289	48077	56020	29902	19331	27698	69547	145712	94117	28079	77807	26033	25021	34162	28378	65521	76934	82104	123893	88799	31404	33093	11755	46929	26225	41871	16888	19809	20921	25961	27362	25086	171831	20350	28104	27633	30125	66283	92141	22665	1506	0	0	65438	117377	0	24816	22990	58517	56333	35827	0	66506	50168	33761	32799	24210	36871	28830	49979	94376	61496	34782	62326	29207	36049	91513	66273	117039	21101	21032	14426	22650	20840	0	19707	51016	51537	41035	51067	16676	25789	72283	35538	43405	29104	27760	38840	25387	28907	34344	95159	100978	0	48979	58776	71478	72785	62666	26696	24088	28877	61773	23560	53408	0	23483	83622	Phytochemical	0.5	0.9	0.0
20	C19 H18 O9 N2	419.10852	419.109	-0.0930457	419.10846	10257	10152	15891	10620	15579	9698	7597	3030	11007	24537	5698	6244	23453	5280	4625	8736	4134	17404	11323	7733	18638	30150	7456	10699	7512	2814	4154	3289	4590	3658	5063	3352	6756	4180	23000	3769	9040	4644	4986	21481	15349	4633	776	0	0	21769	28196	0	5969	5062	9590	11170	9759	0	9687	11207	5974	6828	3018	5494	4332	17590	23452	15281	4951	18628	9154	5205	6662	6600	11844	0	2499	1656	2963	0	0	3964	10929	17712	10209	16461	5223	0	11580	9211	13606	10548	8276	9759	10099	9785	15048	30153	27442	0	10720	8103	10863	16599	12968	9400	4299	5065	13726	9368	11561	0	9905	24827	Phytochemical	0.47368422	0.94736844	0.10526316
6	C19 H18 O9 N2	419.10852	419.1092	-0.041402433	419.1085	11697	12029	7124	9530	9195	3995	2640	4927	16913	28096	18021	4015	21564	2973	3321	5819	3256	11048	13031	11249	30327	16873	4534	7635	1154	3005	2116	4453	4094	4695	2695	3758	6782	2731	30657	3089	7033	3341	6398	10636	29768	4288	0	0	0	11731	31042	0	4641	4508	11154	8321	6827	0	14399	13755	4868	6495	3512	7924	4015	11965	29004	14842	4132	14232	7108	9726	11250	7859	19038	2929	2648	2996	0	4058	0	3545	5417	5702	5386	8082	2336	4268	11929	6372	5924	6653	5741	11223	0	4924	8154	18614	18233	0	9192	7363	8387	15092	15587	7286	3752	5121	11053	6127	9744	0	3885	23064	Phytochemical	0.47368422	0.94736844	0.10526316
18	C19 H18 O9 N2	419.10852	419.10904	-0.03249975	419.1085	25759	22075	26760	22143	29541	17757	8589	8323	22960	44037	28445	10516	39497	14540	11110	14051	11351	35963	28263	30713	38277	56001	18044	16192	12894	6211	10421	13902	6583	6474	7475	9412	16359	0	62823	5942	15102	12490	10267	38949	44902	11908	631	0	0	38290	46850	0	11094	6508	21378	21705	23289	0	29220	22860	13401	15879	11873	9743	11866	38153	47170	30811	11090	33291	14342	12313	17779	16445	25324	14318	4918	3824	6100	7871	0	5369	23843	30250	15395	34034	10703	20708	25201	18395	27091	15608	18551	26189	17912	22412	33309	45221	54304	0	23908	23028	16204	25763	24344	17950	7076	13378	31836	18650	17272	0	12188	41966	Phytochemical	0.47368422	0.94736844	0.10526316
16	C19 H18 O9 N2	419.10852	419.10904	-0.030886147	419.1085	40549	43388	39787	42506	37864	25762	16078	19947	46391	90951	44495	17107	74249	18243	22417	24082	24583	62186	53890	51973	82970	89765	29091	29510	20472	15840	13810	29158	13778	14128	12877	18217	29266	11251	109999	9301	33488	17238	20113	70725	84267	16427	1013	0	0	62830	88170	0	15650	15733	39002	37931	32533	0	55568	37566	20059	27345	15677	15579	16950	53162	74221	46598	15529	55600	29509	18872	47972	39207	45562	14424	11113	9783	15343	12778	0	13725	38092	59026	29259	52630	16212	38824	45125	21060	37524	26370	23242	47597	22832	42511	55520	76736	90828	0	37272	35135	29819	37309	33543	24131	10212	27923	46961	36078	31714	0	23212	72468	Phytochemical	0.47368422	0.94736844	0.10526316
8	C19 H18 O9 N2	419.10852	419.10916	-0.041408215	419.1085	26504	25391	22296	24635	22603	12493	7507	10610	30951	56985	50100	10772	46670	7606	8828	11636	13690	26584	28734	38144	62709	58389	14762	15106	3712	8878	8554	15314	7596	9753	8330	12060	13281	11436	78691	8620	15398	9827	18396	43993	78357	13343	0	0	0	41446	78119	0	11464	11400	25624	25951	15665	0	34368	25942	12860	13815	11327	13856	12010	39451	59919	36488	11490	35636	15521	19549	36891	29629	54068	10031	9211	5063	7182	9568	0	9311	15968	25895	10625	27431	5813	17047	28372	11345	16659	13750	14900	23959	0	14813	25763	53569	42097	0	28947	24937	20973	35159	26131	14383	10400	16733	28439	15087	23735	0	10537	51101	Phytochemical	0.47368422	0.94736844	0.10526316
10	C19 H18 O9 N2	419.10852	419.1091	-0.060108572	419.1085	42542	45098	41799	40489	37546	18791	15694	20499	41926	106108	62852	23057	77204	16339	16698	25822	22335	44661	46802	63318	100171	93994	20947	33539	12617	20803	14262	34030	11837	15658	19383	16842	25370	16815	133142	18867	29621	20001	27992	80297	125454	19891	870	0	0	70757	140902	0	19261	16660	50376	48388	27541	0	62283	39859	23429	24266	23441	35435	27816	59162	83751	47895	20957	45693	25189	32962	74093	47305	101005	15215	16303	11491	17311	12321	0	15412	30621	43602	24039	56340	13641	27883	49673	19783	25496	23404	25980	49511	16134	35891	41247	80382	84994	0	43101	39329	30858	42183	37789	30319	16295	30068	74384	28106	31753	0	16691	75390	Phytochemical	0.47368422	0.94736844	0.10526316
14	C19 H18 O9 N2	419.10852	419.10907	-0.04887204	419.1085	51252	41851	49622	55406	55206	35741	19033	26683	57072	114250	68408	21519	84601	26505	26218	30797	28624	61177	55416	68535	129909	154640	35289	33915	23882	34479	20811	43967	19822	15218	17361	14884	33281	17880	160631	15633	34473	24570	32550	100564	121687	28216	0	0	0	77683	145635	0	22112	18576	46765	50271	38992	0	60293	47393	26967	35749	30816	29765	33208	97474	110908	62041	26380	62694	29274	28333	54796	72607	80295	20918	14364	12593	19762	15770	0	22170	39568	97707	31180	79545	21569	40795	54989	29298	43447	34019	30338	56187	33304	39799	74605	117121	110640	0	49615	50117	37671	53743	47759	36738	21137	38452	86316	35552	39374	0	20698	92289	Phytochemical	0.47368422	0.94736844	0.10526316
12	C19 H18 O9 N2	419.10852	419.1091	-0.08137112	419.10846	52288	53829	54421	55376	52455	26344	23868	27424	62784	98008	74436	20395	80479	18803	23690	32306	32336	63798	59608	75514	108030	139839	36841	40023	16906	25190	17882	31756	22763	16575	20730	20109	35296	19266	168462	15728	32586	21381	32329	104351	174137	24494	485	0	0	96137	164332	0	23748	25811	57878	42773	35424	0	68976	45513	19982	27682	32948	30782	30635	87581	109587	64469	21366	68860	29325	37813	67046	76645	106118	18374	16172	14251	14039	19430	0	18137	39239	79439	31607	76873	18364	40907	60140	25059	41716	27529	29785	66443	23817	44229	61169	115703	82986	0	56815	53465	46359	53712	50007	28652	20491	30389	79987	35357	42610	0	21536	101796	Phytochemical	0.47368422	0.94736844	0.10526316
24	C24 H18 O7	419.11252	419.11295	-0.14582618	419.11246	4364	3031	4396	3835	2443	2425	0	0	4600	6689	16480	0	1376	4361	1534	1434	0	2860	3191	7791	9360	6406	2638	0	1927	28015	1233	12315	0	0	1289	0	0	0	11907	0	0	1065	0	5643	13396	1814	0	0	0	7655	11324	0	0	0	3603	2505	2758	0	5389	1983	2459	0	2321	2144	1724	6926	3599	2228	2808	2209	2681	0	30172	15688	41796	0	0	0	0	0	0	0	3466	9660	2400	6608	2089	7927	6381	0	2557	1605	1612	3348	1409	1879	0	11736	9701	0	2896	3409	3497	5097	3360	0	0	2439	6508	975	4072	0	1415	2785	Phytochemical	0.29166666	0.75	0.0
22	C24 H18 O7	419.11252	419.113	-0.03697947	419.11252	5915	5114	4964	5346	9144	3866	1639	1794	9530	19294	29866	1368	4750	0	1618	3023	2031	4965	4192	12142	15561	9277	2168	2729	2490	57441	1983	27427	1633	0	1322	0	2164	0	30274	1321	2364	0	2743	9794	15674	3083	0	0	0	10605	20055	0	0	1414	7304	7581	4306	0	3143	5514	4179	0	0	3004	2265	11184	8623	3607	5318	7001	3992	3503	36095	44951	54767	1664	0	0	0	2247	0	1525	6804	12394	3752	16555	3858	14162	9836	5793	8142	2288	2952	4983	4181	4329	2896	18985	11772	0	6947	6603	10286	6576	6396	2359	0	3740	10227	2583	5513	0	3050	4783	Phytochemical	0.29166666	0.75	0.0
18	C24 H18 O7	419.11252	419.11295	-0.21534055	419.11243	4192	5647	4744	3520	3435	0	0	1553	4327	8776	12468	1481	3804	3598	2038	0	0	2415	6274	7530	8765	8876	2636	3275	0	30569	0	10721	0	0	2319	0	1766	0	15143	0	1928	0	2102	6999	5528	2626	0	0	0	6966	7682	0	0	0	5152	4124	4521	0	0	1785	3284	2635	1959	2513	3195	4120	5443	4537	1957	0	0	2262	23813	21344	45123	1738	0	1469	0	0	0	0	1989	6448	2190	4048	2068	3238	3757	2089	2544	2675	2083	3624	3053	4928	0	4626	9631	0	2075	3389	5566	2826	4796	2926	1890	2449	5081	3777	4472	0	1915	4730	Phytochemical	0.29166666	0.75	0.0
20	C24 H18 O7	419.11252	419.113	-0.10661516	419.1125	12340	16166	20282	11268	11542	4358	0	4070	18002	61502	53996	0	6426	12942	1325	6674	2600	17968	15552	26622	34338	26710	7020	6512	8766	109948	2320	32376	0	0	2526	0	7028	3336	69102	2730	6474	0	6128	22010	28348	4462	0	0	0	20496	26818	0	0	0	12094	10704	9150	0	9168	4458	7364	6864	3294	8132	3728	21326	16086	9908	8768	11408	8940	6322	99968	91090	134756	1536	3686	0	2762	3710	0	0	11766	26232	7754	16974	3040	25576	16758	8252	11280	9574	7852	4108	11506	9312	5288	30820	29050	0	9898	15362	12788	15306	8308	5002	5190	3750	14756	4436	15742	0	5054	11518	Phytochemical	0.29166666	0.75	0.0
26	C21 H22 O9	419.13367	419.13412	-0.090269394	419.1336	23947	20794	30233	23267	31366	16597	4929	8810	40320	57037	15284	10377	73361	20934	12121	8570	0	44975	38945	51340	44412	34513	17801	14027	8393	35354	4938	17102	6991	11761	9883	8127	11350	6763	65752	7248	11269	9585	6384	24710	26210	7611	0	0	0	23719	25716	0	11190	9646	19995	23991	19667	0	41448	32703	12364	11093	6582	5033	16290	19478	55488	30708	8023	39864	14569	7075	38630	69788	59857	11390	7344	0	10015	8434	0	9885	26535	23496	18263	19821	8507	17297	45517	17676	15025	10446	14899	8982	11242	12446	16318	26067	45827	0	22598	23374	19855	32230	35991	11640	8904	10771	21312	11421	22791	0	6966	60827	Phytochemical	0.42857143	1.0476191	0.0
6	C21 H22 O9	419.13367	419.13437	-0.050346274	419.13364	10354	9647	8089	8402	5741	4355	5924	9525	8457	17568	10058	7368	7001	5444	6834	9159	8263	6172	8873	13778	37160	9536	8975	9642	4153	10296	4609	4840	5886	6549	7274	8205	9308	6791	33032	6614	6640	5991	11836	10534	16387	4147	0	408	470	10554	17670	630	13075	9729	9134	9705	6095	424	8902	6460	5496	8840	5280	8915	7838	8347	5988	6086	3143	4853	4124	11738	13437	13837	22406	8379	7208	7614	6487	8977	467	5784	9021	3642	9090	17432	5776	6017	9127	4067	8258	3884	6979	8712	0	4706	10368	14310	6333	758	9193	8979	6223	7833	7802	8976	6797	8920	8787	6888	6588	430	6348	6715	Phytochemical	0.42857143	1.0476191	0.0
10	C21 H22 O9	419.13367	419.13425	-0.055858113	419.13364	222212	230100	196080	95727	59357	49098	63877	103301	83992	436354	270938	72181	145580	40686	64108	88637	74482	75329	91032	384016	385698	241228	72909	95947	42199	325236	72706	98778	74925	87738	77465	88278	88882	72974	464614	80587	84421	67262	93767	263224	303010	43433	3310	774	827	126513	305332	810	88248	91128	229674	103116	57281	997	84624	58004	39492	85900	78244	89197	92580	198708	165276	136778	44011	65215	50316	92660	195679	410574	523224	80290	79591	80217	68313	81222	695	62833	96046	70998	87507	198464	71924	169346	176902	49284	82169	45315	51723	94767	77853	80093	90551	183190	236880	2270	107682	222546	77625	134278	65997	80422	58431	99060	96959	66973	58965	832	63403	87854	Phytochemical	0.42857143	1.0476191	0.0
28	C21 H22 O9	419.13367	419.1341	-0.13119869	419.1336	13482	15990	15325	12618	18352	11621	5926	7390	20254	34720	12448	5789	36735	8870	6953	9687	4654	26588	23544	29589	28478	16603	11272	10798	5894	23904	5743	11959	7130	6247	7037	6984	9628	7107	37837	5126	8465	5156	4246	15252	12879	9141	2122	0	0	17230	15922	1198	9124	5903	15704	14645	13586	0	22123	16435	7886	9188	4543	2993	10594	12496	27934	16004	8438	21423	8045	4387	27481	46853	36159	7317	5711	4814	3755	5936	0	5157	10998	9822	9698	10720	7437	13091	25497	12967	12261	6667	8708	5331	9616	13117	9655	11710	24092	0	13605	15277	14305	20337	22357	7851	4384	8993	9897	5860	13224	1586	6912	25697	Phytochemical	0.42857143	1.0476191	0.0
24	C21 H22 O9	419.13367	419.1341	-0.085255735	419.13364	49006	44403	48770	47444	59378	36442	12323	20827	67132	109222	39963	19313	111156	34830	22931	26867	14127	75231	69788	85416	82450	64246	33707	28833	15546	69437	12280	32797	18096	15458	15441	18316	25092	18380	130278	15968	26846	18172	17600	55955	44571	18794	5732	0	0	60101	63646	0	18462	15623	41128	49093	34463	0	86136	56431	25542	26276	20405	12201	25604	41356	94816	60948	21614	74603	29899	9471	76145	122584	102303	21754	15550	16360	12254	12834	0	18920	48451	32168	39564	40523	16310	39945	76212	29220	35976	19635	27099	13699	26117	24682	22802	44328	76144	0	44374	39784	46328	67317	63133	18225	18369	24719	41586	20490	50865	0	23271	99209	Phytochemical	0.42857143	1.0476191	0.0
22	C21 H22 O9	419.13367	419.13412	-0.07409332	419.13364	110643	116372	101861	118143	135268	108210	35022	66654	164940	283923	109269	43669	198825	93065	73854	56647	35753	170784	135703	213626	221184	146101	85849	79457	64738	183487	35863	89509	53943	48502	49691	62479	71703	55603	309863	50417	78577	52642	40406	143376	102516	43355	6466	0	2484	154472	140931	0	58756	56710	118627	110654	96112	2619	161725	124213	63951	79353	64514	35452	60445	109450	209231	126684	58984	147002	79366	41593	149269	329370	264872	62380	48096	43155	27853	44770	2614	56230	112068	71721	91327	101591	45019	88485	161196	95081	87678	51918	64218	44765	81199	90365	80164	118627	162165	4215	99400	110161	112406	140807	112306	62449	45898	61744	99902	67398	112417	2933	52074	231091	Phytochemical	0.42857143	1.0476191	0.0
6	C20 H22 O8 N2	419.1449	419.14557	-0.0936651	419.14487	45748	53194	42373	51151	30264	22475	20840	39305	39813	105948	61726	27971	52058	15272	26333	45096	36185	40422	51517	82574	118206	85924	31181	45850	19844	29096	21562	40401	33531	31106	34679	36105	43399	33917	124072	31713	45169	24664	50199	67531	109236	25467	0	0	0	70200	107448	0	41271	36118	48106	52590	28661	0	48837	30262	18080	48682	26403	46131	42670	56301	59407	40374	15830	41301	28124	54869	52738	56740	91687	32311	30477	28294	21082	30034	0	21625	33110	41405	27550	42298	22257	33888	36047	28004	34199	32144	28525	60493	36105	49805	67800	61331	83467	0	47440	47982	24475	35673	36598	33537	25452	53366	51638	42914	28447	0	27059	54157	Phytochemical	0.4	1.1	0.1
10	C20 H22 O8 N2	419.1449	419.14548	-0.0924228	419.14487	153525	147401	139943	136130	86323	66645	81874	135202	97521	332225	163935	79009	123306	54657	82926	126087	100691	113090	130507	291876	325150	290160	102364	143833	77279	121860	80558	123660	98643	104569	109573	121468	146233	95784	413400	103749	149290	80891	118151	300528	279818	64977	2242	0	0	258648	259552	0	135395	102107	156122	145255	79218	0	116275	74854	48459	134740	112495	124779	137648	177467	127930	105993	49623	113192	78612	139485	181031	235792	255620	120969	110230	92356	76168	103388	0	78842	104681	125237	87465	156276	91384	130210	80553	56504	97968	75313	77676	155381	136530	158595	191387	180877	259647	0	149878	146390	63892	77419	72280	131414	77036	147261	195486	117518	68114	0	87239	139445	Phytochemical	0.4	1.1	0.1
12	C20 H22 O8 N2	419.1449	419.14545	-0.108324915	419.14484	155308	174071	167058	160669	95795	84777	117043	151177	111635	326543	166841	92448	125155	56792	101100	127629	130586	125039	161766	306203	319880	320532	127229	161515	90662	128118	79879	161333	123051	105683	134741	124166	170741	111429	428308	127120	137017	98844	137315	322276	326974	80332	1243	0	0	279664	286530	0	134506	123222	156962	159459	93533	0	139257	83164	62484	152514	151995	138346	146543	232035	157221	115702	50535	121952	94691	156395	183194	282246	274381	117990	112691	108891	82171	111181	0	98733	125137	149477	105487	180633	117180	168329	92701	63893	131242	77770	86470	228153	148527	187026	228708	197014	205247	528	169446	172578	82435	82851	74107	150732	88804	153984	195130	148396	76817	0	111546	154952	Phytochemical	0.4	1.1	0.1
20	C20 H22 O8 N2	419.1449	419.14536	-0.09483517	419.14487	31067	28570	23406	28922	26854	27073	15693	21407	26941	48209	22394	11224	26392	13892	22481	25968	19767	22532	31352	33233	39435	42720	16199	31963	27989	15824	16345	17989	17696	12452	20472	16288	32976	15969	51908	12155	31717	22901	12474	38908	28745	17685	881	0	0	32300	34936	0	19367	11368	26659	23912	22486	0	24327	20755	14539	24979	16100	11336	22385	27258	28538	29521	12853	20473	14704	15197	17201	28492	34894	16844	13914	10568	9912	12144	0	15081	28176	30022	21313	19291	18295	22793	20959	16286	24080	18844	19829	25367	24524	29613	51127	28052	35553	0	21428	21878	17233	19993	18094	26988	14698	21105	25249	25401	21897	0	30227	35306	Phytochemical	0.4	1.1	0.1
4	C20 H22 O8 N2	419.1449	419.14563	-0.096492276	419.14487	11300	10551	10264	10850	8648	6760	5217	8538	11579	17696	13300	6843	16964	3418	6633	9415	12456	10017	13547	15171	23488	20390	9667	9484	4071	8728	4994	7079	4932	6008	6804	6465	8676	4756	28520	5979	7316	4857	14882	14497	22896	6724	0	0	0	12725	28545	0	9796	7444	11460	7853	6490	0	16301	11906	4712	8352	6493	9382	7751	12440	18367	11102	5072	10542	5327	11164	16776	12549	20868	5972	5683	6451	2854	4856	0	5181	9125	11921	7461	12490	5312	8629	13256	6165	7080	6917	6290	17660	8669	11811	14949	14580	17561	0	8986	10525	8012	13054	12954	10049	6566	11547	13393	9005	8816	0	4731	18332	Phytochemical	0.4	1.1	0.1
20	C25 H22 O6	419.14893	419.1494	-0.057948645	419.1489	11851	10703	11220	11114	7991	5208	3057	6230	9837	27042	27625	4100	5198	9006	4969	4715	3938	7983	11168	15856	22701	10294	7083	5669	5416	71812	2974	23295	3457	5214	2512	2133	4514	4571	18397	1937	3935	2884	5841	19511	26385	5650	0	0	0	10016	11290	0	3482	4460	10819	9465	7890	0	4561	6191	5171	5594	4836	7334	6658	10179	8140	5239	4672	8092	7812	6186	50262	53254	92314	4128	5342	4825	3137	4462	0	4146	7174	11893	7785	8693	6819	12181	12061	7678	5759	7011	7880	8614	7887	4410	10586	11937	16025	0	10815	8633	9301	5949	8837	7406	3694	5690	6719	4700	5859	0	6560	8860	Phytochemical	0.24	0.88	0.0
18	C25 H22 O6	419.14893	419.1494	-0.112994365	419.14886	10152	4915	6000	6838	4936	3497	1820	4358	4020	8192	10402	1834	2896	4193	4395	4957	3049	2963	6508	5363	10688	4853	4227	3664	3480	29233	3066	7436	0	3431	3180	0	3095	0	11253	0	1867	2334	1994	5550	6867	2915	0	0	0	2920	4212	0	5298	3437	7343	6998	3742	0	2202	2890	1904	3212	1928	4648	4579	3385	2695	4708	2095	4426	3936	3734	22193	23070	37084	3422	1495	1396	2532	0	0	2330	6073	5644	5044	4110	4722	8011	6142	5774	7921	1653	3931	5657	4571	4829	8832	3492	4186	0	6108	7018	4385	3821	2733	2084	2889	4721	2124	4363	4529	0	4407	4719	Phytochemical	0.24	0.88	0.0
24	C25 H22 O6	419.14893	419.14935	-0.06535796	419.1489	9791	8002	7799	7524	13604	2987	2210	2181	10314	20921	31371	1850	7598	3551	4953	7565	6462	8090	11016	17357	19862	9637	4882	4030	4812	74951	1506	33492	0	2909	2695	2902	3309	1979	27222	3468	3788	2486	5886	13086	25573	5664	0	0	0	10860	19666	0	5713	2299	8341	11397	6122	0	6240	9530	4655	3317	5545	4316	5549	15186	10076	6403	4560	9660	9571	5394	75419	44578	76996	2465	1433	0	5224	1801	0	2087	11347	12799	5956	13299	3530	15791	16103	7940	7560	4670	6553	5123	5484	5350	7513	14009	12794	0	10682	9649	10125	7631	7888	3246	2563	6551	8437	3505	10822	0	9254	4769	Phytochemical	0.24	0.88	0.0
26	C25 H22 O6	419.14893	419.14935	-0.16099063	419.14883	2115	2919	2226	0	3353	0	0	0	3980	4947	7741	0	0	2492	0	0	0	0	4166	0	0	3148	0	0	0	21817	0	8791	0	0	0	0	1806	0	7507	0	0	0	0	4596	9876	0	0	0	0	0	11387	0	0	0	0	2860	0	0	0	0	0	0	0	0	0	4421	2825	0	0	4802	3010	2247	32527	13933	34612	0	0	0	0	0	0	0	0	0	0	5641	0	6197	0	0	3002	0	0	0	0	0	0	5796	6422	0	4659	0	3739	3493	6884	0	0	0	0	0	4263	0	0	3555	Phytochemical	0.24	0.88	0.0
6	C19 H22 O7 N4	419.15613	419.15677	-0.13687117	419.15607	10053	10150	8693	7636	3356	4677	7830	0	6448	7505	4652	7440	5725	2704	7949	12649	11397	7949	10280	7853	11861	14970	8916	18086	8302	1244	7102	4147	9128	9099	10429	11764	14878	10416	10811	9900	13334	9111	15257	9188	11131	4865	0	0	0	9127	13974	0	13415	9768	0	10239	5292	0	9252	3263	4554	16260	6928	9648	14164	7095	6140	5529	4651	7444	0	14972	2154	4474	5778	8776	9186	8020	5849	9083	0	7017	11169	4267	8307	5337	6485	6017	4976	3167	12349	7303	6906	19916	11698	15078	29305	6325	9195	0	8854	10931	3926	2729	0	10290	6401	13058	8261	14742	3618	0	9097	8973	Peptide	0.36842105	1.1578947	0.21052632
8	C19 H22 O7 N4	419.15613	419.15674	-0.17576931	419.15607	0	12075	12247	12710	5205	4556	6781	14284	6121	12657	4807	8478	7329	2990	10618	18555	0	5754	8753	9533	8098	0	10373	0	10480	1829	8762	4806	12439	10431	12074	18527	15301	10816	10151	8335	16627	9283	0	14827	13495	6669	0	0	0	10554	7939	0	15132	9053	8012	11731	6286	0	0	3732	5343	16532	8552	8820	14326	7472	7449	6047	4290	7159	6840	18062	0	4306	5099	9675	9854	7342	8235	10815	0	7689	11494	6493	8246	6827	8091	4869	6393	5436	12451	7573	6900	24488	0	17722	0	7622	8259	0	13608	9413	4864	4179	5315	12489	8384	14464	0	0	3693	0	9654	0	Peptide	0.36842105	1.1578947	0.21052632
8	C17 H26 O10 N2	419.16602	419.16666	-0.044142775	419.16602	33038	35200	25412	37440	16248	17212	20106	33268	10744	19390	8702	19826	19932	0	29196	33484	29816	21090	19858	18058	51908	23804	22372	37692	17778	8979	18826	10406	14166	20602	28826	29276	39748	27004	25346	26964	30272	20700	34752	58256	30042	15642	0	0	0	29284	24570	0	36462	25454	32028	0	16908	0	11414	13436	12474	33130	19838	13158	22298	19172	14594	15182	7336	13776	24266	38490	7676	19448	19592	33472	25622	27302	21892	24992	0	20142	16240	0	10978	12530	18580	14120	6480	0	29190	19638	19226	41414	0	0	52212	9548	21166	0	32572	29070	9424	9722	0	29552	19642	21852	0	34316	7838	0	25566	22870	Lipid	0.5882353	1.5294118	0.11764706
18	C26 H26 O3 S1	419.16754	419.16837	-0.18639843	419.16745	2960836	2780131	2739090	2570606	2290512	1765000	1477449	2750268	2191034	5791489	3145001	1443098	2918053	1386127	2084496	2383224	1386051	2637375	3114674	5830173	5218211	2564527	2328484	5567842	1708004	5564602	1374615	2736812	2293190	2147943	2258065	2301842	2500310	2113332	5734507	2250470	2557802	1779630	1654186	7741821	2845116	1478128	58598	10202	9096	2716801	2040704	10800	2568860	2172031	2862158	2770730	1772468	12995	2820716	1885301	1304336	2508361	2067483	1460588	2368007	5117964	2991034	2231765	1061435	2350785	1737449	1632673	4478630	14784168	6838444	2370769	2008418	2282680	1602886	2389306	5708	1730598	2512299	1372265	2191138	1933327	1714695	2326276	2267531	1555910	2146012	1461445	1673627	1801835	2281114	2480641	2925814	1518044	2446853	21981	2765564	2611308	1978938	1830744	1779828	2206653	1542522	2575857	1370830	2004704	1622544	9704	1783307	2840921	Organosulfur	0.115384616	1.0	0.0
20	C26 H26 O3 S1	419.16754	419.16806	-0.015943022	419.16754	1042355	1106179	1003480	898743	907766	760185	445116	953039	1005623	2309060	1005945	495160	1257979	586026	832120	798099	423083	1131670	1188461	2254290	2071570	1031891	802727	962064	669208	1938243	434610	925319	827774	753092	750653	762021	913592	746390	2428034	728329	1028568	613309	460550	1471799	909921	547829	31270	8917	3812	1040800	815013	7794	849009	738718	983710	1050449	712975	5770	1059746	775088	496506	867488	801004	436155	802526	909734	1206083	850680	403787	937405	629747	490382	1608328	3013359	2280036	864259	809704	802954	539266	760857	3310	667610	860329	510084	724783	598263	599171	887222	881366	537261	717682	499487	624542	546137	887977	920407	1105381	647995	846558	11441	1025046	1017010	721914	685506	713959	798113	578898	910721	618291	754018	681053	8480	609126	1385311	Organosulfur	0.115384616	1.0	0.0
10	C22 H26 O8	419.17004	419.1706	-0.14750475	419.16998	80758	163792	139544	147576	36644	26798	62814	194112	44318	94200	135102	57864	40469	27069	49212	96657	71931	42242	54526	220932	236608	73334	60766	188652	50778	219244	70809	56793	135832	158894	69912	74184	146692	118756	191320	74357	132188	118128	90068	149192	169440	34750	4941	1514	2074	85153	84010	1631	151106	80126	157386	157928	73658	1582	52062	39348	30117	90683	74100	78592	92091	94840	45442	45147	29997	44110	35108	168704	90850	224626	278364	68513	63796	76472	65952	154602	1552	50530	86079	48670	75199	120342	137036	89124	56323	34541	78833	27957	36754	84480	57090	63259	170192	108082	145870	2114	155838	78693	39617	46870	43455	71975	50656	85213	66176	131126	38988	1681	63601	48145	Phytochemical	0.36363637	1.1818181	0.0
26	C22 H26 O8	419.17004	419.1705	-0.13236077	419.16998	53344	50518	45799	47781	57187	37525	18058	50585	61996	90668	42321	28439	99859	35536	37344	50350	27361	78665	68035	94551	96400	55991	40620	52492	28290	77526	16491	31854	43112	30459	36434	31219	41356	32181	96063	35490	54372	29205	28354	56157	46870	23488	7944	0	0	48177	42610	0	37322	35811	46730	49838	40701	0	63751	56679	31300	46259	22616	23662	50595	39534	87011	54305	20597	62801	44547	28923	89082	139386	127410	40269	35182	31503	24418	28310	0	31519	52802	25397	46760	26677	23410	37098	64276	35689	41796	31852	34601	28293	37348	35885	57998	30593	48934	0	56499	57732	36445	60035	62782	37921	25305	40405	27921	32725	39728	0	28059	86108	Phytochemical	0.36363637	1.1818181	0.0
28	C22 H26 O8	419.17004	419.17044	-0.16696258	419.16998	27146	23698	23599	23524	25303	19890	11315	22430	26682	46152	22084	10253	48651	18412	19750	25606	13219	35446	35154	51243	46124	22022	22873	24097	12178	45200	12971	23441	16176	17793	17357	15692	19308	17701	54594	19753	21900	12084	15335	25580	20333	16623	1958	1200	0	20043	19431	1683	20860	22134	24457	21413	21357	0	31378	25384	12764	21965	12941	9649	25329	14527	39171	20265	12732	36490	17306	13979	42494	70261	63344	19391	15361	14167	13355	17219	0	11852	23248	12556	19859	12069	12675	16838	27577	18333	24867	15158	16441	13808	19425	21751	26979	12329	24523	1662	24543	24595	17334	28462	31138	25391	11599	26092	14005	17847	20788	1717	13560	35333	Phytochemical	0.36363637	1.1818181	0.0
24	C22 H26 O8	419.17004	419.17044	-0.098777495	419.17	129892	139733	133422	139368	145823	113468	51720	111246	159308	303771	122622	69596	242453	83455	97186	110217	59172	212261	210658	262772	249184	133874	121219	121241	78257	214986	46367	111984	91823	72699	92058	91143	104434	88899	287338	92293	145728	83258	71325	164217	119206	69095	8648	3261	0	140769	111923	3636	103590	85749	139472	130478	107925	0	182703	135896	75148	115115	84862	43976	114111	113413	219401	142525	59555	181550	83705	66131	205834	370697	297125	102431	80323	94641	59769	81703	0	81300	143278	65400	115699	86691	63124	100067	163481	90028	118605	71359	91223	70347	113511	108309	155455	87552	140729	3861	139873	132944	99661	140973	139689	102288	65790	106461	85446	99253	106659	3922	84261	236635	Phytochemical	0.36363637	1.1818181	0.0
8	C22 H26 O8	419.17004	419.17065	-0.105724804	419.17	48922	56930	42418	54026	11367	10384	18764	25907	13316	53556	32920	18052	11395	8680	19810	28934	27491	10257	13554	64214	52994	21570	19665	71200	14244	50300	22283	10400	24389	22329	23728	21663	20089	18170	59690	23337	17164	16981	28625	52314	30168	12436	1850	877	1256	28685	60932	1102	28220	27742	47678	44640	12231	1044	16726	13177	11882	24225	20842	20972	24698	39630	14276	12079	8564	8942	11699	30647	26863	43290	79440	22871	20119	25572	12687	24870	1107	16143	25328	10714	21843	37998	24596	37228	12826	7371	26086	9203	13812	62574	14432	19151	26745	16081	47354	1742	52658	23763	14055	13217	16729	25704	18683	30983	9104	20556	11460	840	20167	14042	Phytochemical	0.36363637	1.1818181	0.0
6	C16 H26 O9 N4	419.17725	419.17804	0.20370458	419.17734	1062	1131	1048	0	0	579	0	0	0	0	0	0	0	0	631	0	0	749	648	0	0	0	0	0	632	0	0	3838	0	801	0	1182	847	0	0	1282	0	0	1775	0	0	0	0	0	0	0	0	0	0	0	0	736	0	0	0	0	0	0	0	0	0	0	0	0	0	819	0	0	0	0	0	1037	742	1005	0	0	0	809	815	32350	0	0	0	0	920	0	0	0	0	0	11281	3725	1566	5215	0	0	0	1531	0	0	0	1174	628	0	0	1106	0	0	509	0	Peptide	0.5625	1.625	0.25
4	C16 H26 O9 N4	419.17725	419.17825	-0.001999802	419.17725	0	711	0	2100	356	7074	495	844	0	0	0	0	963	0	1513	2541	0	1158	2300	0	843	0	1855	2105	0	0	0	0	1118	1125	908	1361	3332	1037	0	1022	1691	1313	0	0	584	601	0	0	0	0	0	0	0	854	829	0	0	0	2232	1250	0	920	978	0	1056	0	1166	375	0	1892	1637	0	0	0	0	1553	1412	2782	0	847	0	708	1578	60672	0	0	0	0	0	995	604	598	865	518	33172	9394	3513	12518	0	0	2590	945	0	0	522	1153	910	1087	0	1445	1333	0	584	1777	Peptide	0.5625	1.625	0.25
2	C16 H26 O9 N4	419.17725	419.17804	-6.61422E-4	419.17725	2963	2893	2803	2307	910	0	0	5744	672	648	4730	1570	966	709	830	749	1005	1765	2057	0	0	2982	1769	2976	509	0	0	14226	6193	4788	4887	5604	5738	4389	1087	4417	3919	761	1231	0	0	0	0	0	0	486	272	0	7133	3101	2918	3378	1261	0	660	268	487	5961	0	0	1361	0	1292	707	0	1719	2108	1459	0	0	0	6202	5856	6127	0	4965	0	1601	656	45442	537	0	0	0	850	455	1034	2039	2487	0	41811	16308	3628	16580	0	0	3274	3236	0	509	613	3671	1454	490	0	3407	567	0	823	2352	Peptide	0.5625	1.625	0.25
14	C21 H26 O7 N2	419.18127	419.18176	-0.21907307	419.18118	143437	135852	133660	129923	54498	63141	102408	164662	53633	190597	95538	82134	66231	43925	116478	134361	116419	79951	99411	225773	194342	223176	104044	180107	129370	99332	85078	101826	140058	125105	109264	140576	179933	129282	203597	135540	149249	98548	114685	201504	157060	71696	0	0	0	174668	151913	0	143409	123989	131471	120381	74552	238	79312	46798	46852	161745	156962	127498	174053	133124	57717	59729	42724	74870	76931	104635	91389	174315	129485	127358	116071	121658	100710	111180	0	96279	106325	111905	94711	101085	112044	118528	41601	52302	113363	75474	79065	170085	179861	184880	232575	125216	170069	444	122385	129827	43506	41012	43565	144524	93084	202540	116136	144094	39107	0	107211	66820	Phytochemical	0.33333334	1.2380953	0.0952381
4	C21 H26 O7 N2	419.18127	419.182	-0.12088427	419.1812	16791	18086	14879	15452	8355	8172	8466	17613	9536	24250	10794	8407	12885	6662	11753	17571	15702	14021	15186	27653	30419	27202	12966	20624	12374	15252	8840	10136	11232	12133	14043	12292	16151	10712	33765	15864	15570	12056	20402	21308	25333	8453	0	0	0	19676	24773	0	15994	14260	15826	12230	7874	0	17990	9729	5707	15220	9965	11328	17901	16215	13613	11437	5897	12874	8978	19944	15425	21871	24566	13563	10770	14235	8826	10922	0	9022	14966	15847	11718	12447	9659	13006	8842	7460	12086	7997	8541	20836	19582	20716	28330	17799	24295	0	13828	17147	7721	9831	7626	16921	9670	20345	12378	13027	8704	0	11962	11705	Phytochemical	0.33333334	1.2380953	0.0952381
6	C21 H26 O7 N2	419.18127	419.18195	-0.12999922	419.1812	47958	47004	40420	46766	26289	26106	29409	53343	27078	106930	48198	26863	38475	13997	34624	55406	31721	35256	46175	109408	109200	83420	39017	63074	34360	38375	26492	40559	47244	39718	40563	49764	59108	41855	121141	41722	52050	33294	44574	72187	72928	23807	0	0	0	67037	71278	0	56766	40857	53228	47092	26489	0	44061	21017	16622	59629	21248	26778	50747	52277	35055	32313	14617	34288	30728	49479	38571	83178	68850	46459	37157	38316	26278	33461	0	26567	36110	39527	28813	27086	24552	43553	18479	21888	34534	26267	30216	67760	61590	70367	79539	53089	92246	0	50800	47897	16985	17583	21048	47527	24393	69133	31152	46698	19712	0	29570	35325	Phytochemical	0.33333334	1.2380953	0.0952381
20	C21 H26 O7 N2	419.18127	419.1817	-0.21247414	419.18118	57794	51100	50168	49254	32044	48568	36289	66442	37166	89240	34760	30988	39516	22470	42714	56932	31612	40522	68742	69196	65606	75080	44314	71928	68404	35256	30560	42472	54582	47964	44062	58590	77282	47184	93190	49354	84912	36506	40860	73150	50038	36850	1098	0	0	59090	45866	0	65108	43738	46478	54458	41360	530	39110	25420	22916	62254	52266	29366	58844	44922	39692	41944	13648	42964	36378	44852	28032	54138	57266	60514	47864	33846	29216	48930	0	35660	39326	44234	31660	31166	39434	42252	27742	19502	62962	39228	42032	62098	94318	103160	127766	43752	50612	0	60822	67196	22826	26006	24202	64808	33818	72880	29690	62728	24400	0	40926	48272	Phytochemical	0.33333334	1.2380953	0.0952381
22	C26 H26 O5	419.1853	419.18576	-0.101328574	419.18527	45873	47616	34035	43982	40436	22193	24544	31417	27663	40020	56997	19339	24038	23958	23266	37774	34306	30155	27911	42982	44802	42529	24625	41248	31054	123495	22557	44026	28551	26218	23864	32095	43100	28571	53810	28184	37865	21307	28084	42351	59391	20590	0	0	0	34185	33122	0	41789	29664	40881	40292	27146	0	21599	20951	20032	39822	30265	26234	40649	34149	25112	21954	17425	31058	27035	31650	106608	103042	131228	28625	22876	19898	19697	24953	0	17680	31370	34622	26294	28094	22370	39503	31678	23149	42071	28666	33941	49065	43334	36323	65065	29465	31798	0	34357	32325	23723	25833	16747	40747	22078	35001	22032	37160	22222	0	28518	27417	Phytochemical	0.1923077	1.0	0.0
26	C26 H26 O5	419.1853	419.18573	-0.095230676	419.18527	11320	10726	8674	7897	8116	2927	1704	5929	11270	11906	21875	5558	8941	3257	0	7489	0	6459	8246	14111	13144	7835	0	7749	0	54259	0	21580	0	0	3656	0	7681	4370	11958	5688	4946	4063	5195	14161	23658	6556	0	0	0	14027	9865	0	6382	0	8537	9253	9498	0	5239	6818	5997	8056	4303	4026	7824	9386	9422	7197	3817	15394	13497	6093	58532	29875	53274	4611	4376	0	0	6104	0	3532	7871	9230	5019	9160	6234	15302	12424	6289	10876	6471	5226	8701	3681	4641	8838	11266	6665	0	7772	7629	7946	11311	14608	5863	0	0	0	6232	9670	0	5609	7139	Phytochemical	0.1923077	1.0	0.0
24	C26 H26 O5	419.1853	419.18573	-0.09999911	419.18527	22736	23431	17980	21288	22507	14135	8097	15008	18188	24736	50684	10760	17573	17368	12185	20323	15243	15546	25777	29579	33155	18773	17035	23107	15991	130741	3278	43683	11614	13117	13059	9997	15632	11370	32469	13943	14875	10122	14919	30288	45106	12478	0	0	0	24317	23892	0	10937	15464	21737	25119	20140	0	12061	15860	14752	16279	12435	13734	16476	23460	15471	13233	11801	23076	24296	18718	113756	78102	130366	10872	9516	9614	7084	11033	0	12016	24132	22026	15822	17417	11436	33989	23825	11168	24774	13097	14916	18354	10321	13880	22493	26124	20211	0	19425	19857	15287	20626	20139	10130	12077	18004	17454	14488	18776	0	12940	14839	Phytochemical	0.1923077	1.0	0.0
20	C26 H26 O5	419.1853	419.18576	-0.12514348	419.18524	13036	14750	11695	9253	7622	6174	5906	10088	6955	11896	12510	8086	8654	8425	7397	15632	12514	4457	12582	17406	14114	12082	8341	11913	11319	50558	8882	12551	7441	9280	8131	9495	13241	9551	15803	7503	8273	9374	14937	14660	21910	7187	0	0	0	7590	16101	0	11420	10862	8526	10371	9069	0	4078	5720	7554	15697	7876	10376	15423	12682	7675	8829	6850	10590	10489	17186	39824	36237	63004	9217	8503	3964	11503	13092	0	8739	19077	7724	11675	8437	10034	12462	12079	6459	16226	9092	7812	14891	12294	9904	20694	11714	10204	0	9791	12689	11311	9508	9417	14178	10357	11841	6648	7955	8815	0	12263	6559	Phytochemical	0.1923077	1.0	0.0
8	C20 H26 O6 N4	419.1925	419.19302	-0.23126715	419.1924	8863	7799	7603	7758	3242	5772	6092	8364	1833	3989	4147	4304	3021	0	9025	7682	6705	3400	5008	6967	6884	7502	7325	12840	9115	1363	6768	13418	8148	5117	8427	10723	8962	8751	6580	10660	13451	5584	7976	10466	5595	2927	0	0	0	6589	7128	0	9705	9287	9305	8550	3286	0	2950	1160	2928	8914	4566	4287	7908	3906	2544	2751	2610	3427	4793	11496	0	2468	0	10286	7282	8511	5563	7378	0	4722	9421	35840	6080	3719	4792	5153	3090	0	8337	3861	4640	17058	93370	72245	22071	10511	6401	0	9406	6158	1941	1096	0	9514	3877	11203	0	8297	0	0	8648	3608	Peptide	0.3	1.3	0.2
6	C20 H26 O6 N4	419.1925	419.1931	-0.17263979	419.19244	7966	6501	7181	7898	2487	3314	6782	7950	2843	4340	4301	4211	2028	1551	6622	11199	8092	3085	5540	6850	3727	8620	6108	13850	8728	1344	5869	18059	7779	8463	7026	9613	10332	7113	8181	9348	10184	7193	8548	7097	7318	3607	0	0	0	6449	4845	0	7725	7803	8718	10611	3628	0	3304	1042	1654	10400	4469	4957	9388	2951	2114	2511	2006	3179	4520	11206	0	4033	0	6912	8593	7072	3713	7139	0	5294	6529	124758	4855	3296	4942	3812	1371	2216	7861	4996	4421	17501	44136	34411	19367	15639	7568	0	6497	8952	1761	1163	1320	9312	4726	8457	0	10738	1681	0	7759	3863	Peptide	0.3	1.3	0.2
10	C20 H26 O6 N4	419.1925	419.19293	-0.31935734	419.19238	5207	5130	6599	5487	1952	2652	6217	6961	1742	0	4171	4924	0	0	6038	7108	5307	2526	5210	5309	4755	10436	4623	10675	8705	0	5731	11037	0	6673	5341	0	7123	5816	3415	6843	9888	4883	7025	6949	7692	2684	0	0	0	4760	3927	0	7188	6585	6516	6936	4365	0	2446	0	2142	8536	3709	6419	0	3524	2287	0	2696	0	0	6284	0	0	0	8216	6884	8047	4832	5392	0	5257	5095	57844	5897	3447	5193	4254	0	1935	5418	3665	4545	13624	69559	59081	16844	14315	6460	0	7263	8869	0	1768	1671	9179	4562	5861	0	9939	0	0	6117	0	Peptide	0.3	1.3	0.2
18	C20 H31 O4 N2 S1 Na1	419.1975	419.19788	-0.2671194	419.1974	8816	5573	5212	8991	3445	4948	5954	6508	5708	9751	6296	5215	7712	3507	2811	5951	5807	5981	5824	10701	14039	4116	7455	8043	3193	20536	4525	7589	9825	6352	6462	6984	6348	0	12543	4458	5436	5076	6829	9095	10951	4765	0	0	0	6619	5932	0	4623	5362	4954	5106	4444	0	8166	5550	2355	5643	3775	6853	5518	4925	9329	4528	3898	4195	4084	7710	15009	20386	27168	4831	8909	6190	6863	6422	0	3673	6384	4259	5929	2921	3596	4672	7354	5007	7085	5961	3626	7322	4838	3739	8448	1591	6172	0	6813	7954	5662	4086	4602	3950	3933	5620	2488	4032	5370	0	4646	5162	Organosulfur	0.2	1.55	0.1
12	C18 H30 O9 N2	419.2024	419.20306	0.21961947	419.20248	6566	0	7984	4162	0	4587	5864	17092	0	0	0	5796	0	3398	7220	6530	6100	0	6943	3510	7626	0	6162	7952	11971	0	2186	0	5576	7006	11261	7462	14952	11156	7764	7919	7728	0	11272	11566	0	3416	0	0	0	8636	0	0	9980	4068	3696	4650	2138	0	3094	0	3124	9108	10502	0	0	8192	2366	0	3834	0	3763	16602	0	0	0	6934	10386	5540	4948	8762	0	6350	4030	0	7766	3474	7744	7116	2031	1322	7082	4944	4075	0	52720	12396	11276	8344	3976	0	5946	9902	0	0	2680	4043	7816	0	0	9961	0	0	8971	0	Lipid	0.5	1.6666666	0.11111111
14	C23 H30 O7	419.20642	419.20694	-0.16912793	419.20636	191742	169491	157577	179909	103172	70756	174188	178261	124124	151115	139975	138360	101704	70542	152203	207076	227417	88725	119270	200696	184936	171546	145225	204536	135574	200894	154597	122812	155595	167073	143078	184044	174421	107769	147398	172748	134749	139713	217363	132270	166929	96041	5419	1382	1299	133080	176983	1386	153542	178682	170035	154670	96571	1664	127897	115632	91338	198511	157005	183731	219328	86784	116291	124475	74073	102366	93939	226753	195503	219220	281591	110722	124278	177715	191167	167618	769	124183	223614	113420	181654	116510	156125	101463	152338	97372	213320	82731	112318	312901	146891	152357	213619	100128	112755	2691	172787	170447	95257	136947	160594	181580	125851	201940	110627	160076	128253	950	168679	116777	Phytochemical	0.3043478	1.3043479	0.0
10	C23 H30 O7	419.20642	419.20697	-0.14231575	419.20636	16130	15624	12741	12965	6840	6828	13099	19545	9322	12279	8582	12790	5026	5552	13126	21008	17423	6358	9862	14185	14847	14222	15148	17465	13115	14181	20595	10527	14010	15778	14669	16219	18713	11112	15168	15561	13374	15733	22414	11558	12530	7204	1790	874	1020	13080	13921	1344	11869	15577	12174	14124	5073	775	12312	9031	7118	18367	14813	15374	17194	7584	5151	7885	6464	4932	5522	25166	15456	12882	15827	11846	10010	21972	20791	13387	760	10227	23704	9328	19281	13686	15920	7659	11908	8123	14406	5099	4895	21415	11899	19735	17231	8944	13943	1388	15371	17780	8224	9529	10594	15079	11256	11809	0	11418	6825	664	15300	6005	Phytochemical	0.3043478	1.3043479	0.0
26	C23 H30 O7	419.20642	419.2069	-0.10877271	419.2064	99950	107481	97344	98071	110875	77543	45299	105907	115331	157936	87138	59658	173594	73000	94535	103979	62844	149056	168403	198851	209988	104909	96364	117908	77446	181324	42032	95425	111884	118273	94810	98905	120609	82108	199310	112322	139617	64847	66026	127508	93611	73106	0	0	0	94352	64844	0	106418	86463	117518	104380	90002	0	147485	120356	59602	113404	85839	40547	112581	81593	150150	101149	46266	127768	83281	74524	177975	298116	255036	92901	91170	104144	91096	94782	0	69745	107045	50881	87005	59186	70042	75493	119007	69375	97463	61832	76825	75157	102301	106928	140586	59576	98487	0	107275	128269	73608	119071	122856	115340	54898	114314	67356	82543	81830	0	61218	141613	Phytochemical	0.3043478	1.3043479	0.0
24	C23 H30 O7	419.20642	419.20685	-0.08128322	419.2064	487029	466235	463503	477822	431508	359581	205982	438827	451017	974715	450695	219864	674114	273787	358084	403442	233810	613687	752676	1054736	955609	495198	381541	464722	315264	833944	176178	459125	423510	375944	375347	408168	513990	361517	1109558	451045	632075	276199	267564	622082	374440	255365	11650	4582	0	458314	293325	5220	438883	326209	469743	442572	323593	0	587867	398325	218387	441820	399044	172676	440333	393640	566568	421690	166018	496245	315922	248356	718311	1374369	1019739	435432	369653	398354	252842	356000	0	312591	403652	210935	346321	248046	292703	377941	419428	260796	368504	230059	322989	259247	460688	538638	615990	289158	472065	6155	497072	487908	275307	388393	371199	471258	240591	493788	264773	399661	290393	5425	269249	611349	Phytochemical	0.3043478	1.3043479	0.0
12	C23 H30 O7	419.20642	419.20697	-0.17464375	419.20636	66144	66685	65740	66122	24779	20158	61678	69522	36731	45667	46645	42190	23611	16966	44555	79363	83078	27813	45503	75984	48841	68360	46127	80765	44082	51994	64490	31045	47752	65558	49426	61640	54831	31852	53695	53071	51244	41792	77168	40252	60614	30842	2262	907	926	45759	75975	1253	65987	69810	65685	65313	26800	919	43365	38736	25347	70970	40889	63954	65826	29292	42035	29002	22101	26259	28205	86091	38656	62542	76463	40971	45537	62840	80112	61424	1832	36302	69607	34205	55600	39460	47366	31125	47106	26009	61878	20160	29628	106906	59577	58447	66973	32398	55966	1311	68728	66920	34163	42256	48088	66630	37454	67345	32494	46553	35625	831	55906	33953	Phytochemical	0.3043478	1.3043479	0.0
18	C23 H30 O7	419.20642	419.2069	-0.09257689	419.2064	1022987	985796	950481	873697	793069	543533	714813	971736	703479	1196681	911698	614362	853348	494107	800641	1073642	832474	816856	1131004	1532196	1470356	807643	831334	1082193	661088	1806498	665423	817334	867874	840639	812247	900415	1032545	748663	1186911	925024	947673	714683	914130	912424	950460	568812	19216	3467	2313	737121	646296	3222	978413	834213	964935	935286	699317	4204	953712	779568	535922	1034529	663411	644696	918854	646261	903524	799243	454267	809048	637446	1011799	1418747	1901126	2329814	718471	684790	850200	915525	927646	1639	606806	1060429	573128	869529	549815	675855	692860	942667	628229	1005558	583702	672846	949216	900783	959944	1133587	543922	754984	6830	969164	919361	656378	822448	828992	1015229	593320	985979	407824	780062	671404	3143	762281	828685	Phytochemical	0.3043478	1.3043479	0.0
28	C23 H30 O7	419.20642	419.20685	-0.18501467	419.20636	36384	25416	29275	29849	35654	20948	19244	30378	30634	49290	27681	15381	52754	23009	24751	37381	25749	41179	51013	55188	58159	27597	28538	35137	19862	61895	22270	33288	33389	33026	28467	29046	34145	27641	57364	28104	38581	17892	28309	32399	28786	22200	2233	0	0	21246	21816	2170	32223	31255	32521	30593	28510	0	38488	28132	18217	35942	20941	16196	35739	16915	43381	29470	15685	46044	27255	23600	55847	86472	93670	23651	24294	27566	21733	25515	0	18767	30441	17890	24955	12941	21343	21789	33320	20297	39927	22767	22444	26249	36131	36017	41095	17683	30794	1735	31977	30286	24331	38584	40327	38906	19155	36509	15365	29554	20719	0	18918	36604	Phytochemical	0.3043478	1.3043479	0.0
4	C17 H30 O8 N4	419.21365	419.21442	0.04709634	419.21365	6195	5787	4419	5478	0	5063	0	0	331	0	9428	373	0	0	647	798	0	374	401	0	0	1081	475	1052	659	0	0	78617	0	0	631	0	868	0	0	0	871	419	0	0	0	0	0	0	0	0	0	0	0	0	3948	3783	376	0	502	234	0	875	0	0	0	0	260	0	0	0	246	0	0	0	0	0	0	446	0	0	0	0	350	548686	561	0	0	0	342	469	563	556	0	1188	347801	103023	1464	45185	6805	0	5289	4998	0	0	0	0	0	0	0	384	0	0	478	643	Peptide	0.47058824	1.7647059	0.23529412
2	C17 H30 O8 N4	419.21365	419.21436	-0.050100744	419.21362	11314	9140	10973	8583	2875	55541	1504	2207	1313	962	13251	2315	4059	2288	1869	1064	2310	7828	2544	0	728	2615	2130	2752	1645	0	0	169032	6083	2116	3223	3198	8454	6021	789	2391	6925	1892	2274	0	0	4509	0	0	0	0	0	0	4160	1800	11228	8621	3246	0	1992	910	533	3414	0	384	980	0	2311	1086	0	4632	3988	2335	0	246	0	7171	6549	1646	0	2182	0	2036	1854	1237305	1485	0	0	0	1456	1094	2954	5695	3274	5631	279743	128496	4011	104432	852	0	11137	10798	1272	832	1139	2406	2147	637	0	2252	1539	0	1082	4292	Peptide	0.47058824	1.7647059	0.23529412
0	C17 H30 O8 N4	419.21365	419.21445	-0.23194413	419.21353	6674	6689	7513	7920	9475	34983	0	11910	4589	0	0	7084	8739	10376	2175	2545	0	15153	13007	0	1740	4683	6701	12027	4854	0	0	10500	13624	5011	7452	10917	16206	30469	1445	14298	15535	1766	2299	0	0	24170	0	0	0	3089	0	0	12471	4655	7871	5735	20753	0	3570	1332	0	8655	407	0	5109	0	6041	7953	2523	15355	19466	1263	0	0	0	31154	30656	6147	0	11965	0	5688	1891	23259	1428	0	0	0	2459	2606	1924	18456	18256	1851	14855	4722	9756	4147	0	0	6210	5792	1958	710	1036	9731	4455	0	0	10579	3034	0	1910	12612	Peptide	0.47058824	1.7647059	0.23529412
6	C17 H30 O8 N4	419.21365	419.21423	0.1342028	419.21368	2748	2611	3140	3139	446	667	0	0	0	0	5297	0	0	0	0	887	0	0	0	0	0	0	0	0	0	0	0	86245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1156	0	2473	3821	0	0	0	432	0	1242	0	0	0	0	0	0	0	0	0	0	0	0	0	724	0	0	0	0	0	0	0	128605	0	0	0	0	0	0	663	0	0	1072	233141	71775	0	26808	3657	0	3377	2952	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47058824	1.7647059	0.23529412
18	C22 H30 O6 N2	419.21765	419.21808	-0.2840428	419.21753	21983	22482	27671	22319	12956	14739	17877	28859	8988	28446	15517	13286	2670	8579	22010	33298	21420	13134	16821	42556	27952	28511	20485	39644	23397	14113	18765	21942	31824	23060	27813	34503	36944	33841	35745	26070	40710	16067	22650	45785	24033	19829	0	0	0	25935	17344	0	32584	24582	24837	23977	12450	0	10667	7990	9518	37968	21727	18761	28593	20338	12655	9434	7769	16742	14344	27861	12401	27466	19325	27184	24524	27364	24266	26384	0	18705	22973	23349	18789	17202	21869	18825	6803	9132	24108	17106	16402	30051	50018	50155	58820	22712	29908	0	26090	21895	6147	8008	11384	37085	16551	38065	10691	28177	8002	0	23341	11446	Lipid	0.27272728	1.3636364	0.09090909
14	C22 H30 O6 N2	419.21765	419.21814	-0.18879712	419.2176	20772	22902	19804	24591	9726	8439	16027	29077	6701	23298	14025	12651	3351	7151	21863	31789	26185	6747	8609	42076	34780	30874	15103	26338	19299	18869	13657	19874	26663	23713	28962	26410	39790	27704	36602	31346	30019	16409	28785	40325	20354	10047	0	0	0	22852	25164	0	32063	24575	21527	20450	10008	0	8251	4744	6899	27325	14409	15356	0	14674	7498	6410	7012	9872	12734	28733	0	37231	23157	29795	25265	28901	22758	26161	0	16821	18345	0	13903	13076	12511	17674	4421	3893	16344	13886	10560	51045	36434	26838	45584	17717	26616	0	24156	21056	4261	5938	5011	25143	14993	31687	0	26816	6545	0	15226	6932	Lipid	0.27272728	1.3636364	0.09090909
10	C22 H30 O6 N2	419.21765	419.21823	-0.15079978	419.2176	25077	22609	18158	24251	11524	13981	17929	31059	8752	36423	14322	15306	9010	5652	20509	27961	16283	11280	18043	54484	38213	35638	14089	36622	24793	20902	13569	18865	25600	25101	19308	28635	33280	27093	42663	26729	36362	13986	20923	37425	21544	11389	0	0	0	27364	17438	0	30150	20003	20672	25414	12180	0	13314	6562	7606	34998	2941	6071	22617	15092	8160	7814	6514	10453	11581	21048	12353	34924	24076	24590	21078	21545	18619	23264	0	17007	16743	16576	13339	8791	5315	23444	4651	5733	18315	11969	13044	39266	45827	19436	49909	21664	41345	0	24935	20560	5680	4470	4151	28710	13098	27102	0	28534	7670	0	14615	11361	Lipid	0.27272728	1.3636364	0.09090909
12	C22 H30 O6 N2	419.21765	419.2182	-0.19064711	419.2176	21268	17011	27269	22828	9358	11283	15615	31808	8105	27988	16721	12705	5129	6154	18510	25970	26678	10595	14238	45876	36484	25784	12733	34993	18870	19820	9672	14698	25152	23025	24825	22506	38525	20816	47751	22858	29516	14601	29163	39652	24144	11514	0	0	0	25012	14434	0	24353	18736	18842	18924	15101	0	10065	4310	5877	27256	4968	0	31501	16103	7997	8163	3809	9204	9332	29660	0	36077	19108	21954	21748	20508	19777	20144	0	17352	18725	0	13828	6712	8925	20003	5658	6641	20199	11033	12541	41449	36522	24941	42101	20069	26241	0	20944	18145	4997	3564	6356	24705	11497	30641	0	24289	5889	0	16209	6504	Lipid	0.27272728	1.3636364	0.09090909
8	C22 H30 O6 N2	419.21765	419.2183	-0.10633098	419.21762	25722	22692	18520	24801	6062	10080	12916	27732	6302	32662	13722	10369	9441	6238	17252	28355	16221	8664	16234	42688	37977	34561	15482	27343	18205	13587	13776	14311	20786	22062	22694	24732	27085	19772	38217	25311	25084	13193	21396	31049	17614	10042	0	0	0	23909	13912	0	29171	22408	20054	19997	9470	0	12551	4652	6594	27106	996	5419	28229	14850	6838	10344	4680	7558	12845	27309	12379	29522	23149	19846	17944	16812	17722	18583	0	11580	14873	11413	12791	6288	6859	20889	3849	5579	16524	11394	12901	34234	32786	21568	50724	22077	35823	0	23088	19838	3989	4409	3901	24569	11315	24465	6932	24974	5725	0	20021	9825	Lipid	0.27272728	1.3636364	0.09090909
26	C27 H30 O4	419.22168	419.22214	-0.1749416	419.22162	21096	23685	21170	20005	23225	9330	9780	25428	16049	15580	34021	15819	15711	9138	17372	24193	19430	11929	22612	20124	23281	18200	15865	27247	22660	87372	13742	30654	20049	24283	24279	20636	21130	18076	15825	21539	18157	13643	22435	25990	36240	15299	0	0	0	16749	21539	0	20010	21763	22338	25796	21080	0	15803	15884	10242	26755	15023	17260	20679	13938	11535	15222	7887	19736	28891	21268	85328	39615	68193	12380	16237	19828	12588	20647	0	14441	25668	25195	19168	21441	17406	27723	25868	17642	31020	14713	16135	22239	13302	15878	30209	29563	17355	0	20663	18429	14463	22451	31415	28685	14105	29025	11054	22081	20601	0	17496	9032	Phytochemical	0.14814815	1.1111112	0.0
24	C27 H30 O4	419.22168	419.2221	-0.16669767	419.22162	29617	31949	25585	30735	29150	16000	20685	33149	24220	17554	40574	21573	22616	18705	29362	37409	36417	15995	31857	32486	30443	26057	24935	40155	25221	115545	20409	42013	23142	28622	23216	26326	29455	21909	26326	32466	31309	19930	36257	31609	39489	22302	0	0	0	24181	25041	0	30239	34479	28682	29708	25850	0	23785	19056	19831	33752	22059	23188	35407	22311	17769	14817	11613	19275	26644	41900	84221	47575	105667	21601	24861	21871	21834	31060	0	23367	38760	29252	29745	18736	23064	32033	25973	21586	49059	21721	24495	33862	16794	24798	37368	21984	26345	0	31182	32613	23228	25085	33819	40405	22547	36217	17496	28652	28031	0	31530	17325	Phytochemical	0.14814815	1.1111112	0.0
22	C27 H30 O4	419.22168	419.22208	-0.21204428	419.2216	17761	23133	17169	16326	20627	11495	17074	22421	12432	10097	20890	19793	11089	12796	20132	33824	40032	16546	13385	15154	17940	13879	18555	23919	18122	52020	20507	17745	20983	19772	18168	15740	23018	13233	14224	23021	20808	20594	32562	16343	24426	11825	0	0	0	11747	17641	0	22757	26890	23843	17936	15459	0	17868	14125	14048	23086	12261	21286	23812	12862	7934	13009	12112	15320	14206	33978	42468	40510	60411	15644	11085	19628	21945	22220	0	18305	32774	20067	28288	11149	14753	15136	17049	20287	36620	13611	16353	32470	14104	24315	34509	13922	15188	0	16537	21570	16298	23796	16598	32219	20154	20201	9111	25446	16035	0	28184	11791	Phytochemical	0.14814815	1.1111112	0.0
12	C21 H30 O5 N4	419.22888	419.2293	-0.37091467	419.22873	2316	0	0	0	0	0	0	1529	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1282	0	1302	0	0	12096	0	0	0	0	0	1722	0	1281	0	0	0	0	0	0	0	0	0	0	0	0	1776	0	1546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1098	0	0	0	0	0	0	0	106526	932	0	0	0	0	0	0	0	0	0	91681	23143	2205	10712	1838	0	0	2912	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.4285715	0.1904762
8	C21 H30 O5 N4	419.22888	419.22937	-0.20279573	419.22882	1752	0	1836	2967	0	1401	1248	1806	0	0	0	1213	0	0	798	2708	890	0	0	0	0	0	0	1788	917	0	1364	13671	0	0	885	1847	3014	1016	0	1284	0	1298	2845	0	0	792	0	0	0	0	0	0	2511	0	4687	2760	697	0	0	0	632	1980	0	0	0	0	0	0	0	0	921	2430	0	0	0	2653	1006	1399	1812	1490	0	1283	0	217651	829	0	0	0	0	0	1592	890	650	3803	130700	27223	2097	10156	0	0	2536	3872	1130	0	0	1495	0	0	0	1003	0	0	1125	0	Peptide	0.23809524	1.4285715	0.1904762
4	C21 H30 O5 N4	419.22888	419.2295	-0.20141082	419.22882	601	1194	1102	790	516	423	321	1246	0	0	0	487	0	0	509	1672	0	392	329	0	0	742	590	1153	1182	0	0	0	0	702	0	0	668	0	0	828	0	782	0	0	0	0	0	0	0	0	0	0	0	0	600	0	0	0	0	0	0	0	0	0	653	0	0	0	0	0	263	0	0	0	0	413	0	324	0	645	0	631	1030	28293	658	0	514	583	0	0	548	0	0	1674	24205	4355	1717	1971	0	0	1160	436	0	0	0	481	492	0	0	471	0	0	625	0	Peptide	0.23809524	1.4285715	0.1904762
6	C21 H30 O5 N4	419.22888	419.22946	-0.18667753	419.22882	2078	1406	1598	1432	0	1367	704	1545	0	0	0	1152	0	0	1582	1306	0	0	0	0	0	0	685	1545	1059	0	0	0	1000	1610	907	1453	2323	982	0	1209	906	0	0	0	0	721	0	0	0	0	0	0	1195	0	0	1392	546	0	0	0	0	2868	0	0	1788	0	0	0	0	0	0	2437	0	0	0	1744	772	661	0	950	0	0	1480	29373	0	0	0	0	0	0	1212	846	0	1861	35848	9148	1769	3150	0	0	1793	1039	0	0	0	0	0	0	0	976	0	0	1071	0	Peptide	0.23809524	1.4285715	0.1904762
22	C21 H35 O3 N2 S1 Na1	419.2339	419.2343	-0.2298509	419.2338	12090	7657	6349	9399	10668	4667	5567	7849	7538	11097	13604	5741	10521	0	4850	5906	6204	8650	9089	25722	20363	5703	7875	6964	6501	28084	5942	13082	9588	7399	6496	8489	11029	8927	14497	9259	10798	8171	7914	8937	11927	5295	0	0	0	6682	5961	0	8581	7261	11899	9565	6044	0	9125	7313	5222	9778	7807	5082	6544	5223	6668	5822	2679	9826	6480	8243	16072	29434	26964	5515	5222	6494	5882	7118	0	6319	8078	4898	8462	3932	5749	8192	9950	6428	5696	6890	7356	6518	9579	9163	8418	7828	7341	0	6971	8944	4257	8555	9072	12329	4510	7398	3184	9048	5436	0	5189	8117	Organosulfur	0.14285715	1.6666666	0.0952381
16	C24 H34 O6	419.24283	419.2433	-0.21125546	419.24274	46065	41460	48764	50795	31729	22469	54256	53558	35634	24885	28106	39507	30764	28302	45821	69804	111686	26771	44674	35272	33882	32244	40185	52421	42845	34478	61370	25158	47561	52240	40557	51563	53108	32109	24884	53073	49931	44452	118140	14749	29405	25753	1405	473	0	21591	30121	0	56932	50061	44926	47399	35244	315	38856	39721	31251	73335	19763	41169	48725	15095	37050	31746	28889	23859	29192	110897	32267	32503	47763	21400	33192	59703	100342	55388	0	33609	68482	26904	46783	26878	44790	25510	58595	41739	87662	20866	31036	128034	37862	34017	51110	23692	27959	780	49796	49306	26476	54597	69250	62451	32139	42916	17389	51633	47162	0	58236	29641	Lipid	0.25	1.4166666	0.0
24	C24 H34 O6	419.24283	419.24323	-0.11038714	419.24277	704723	715019	661132	702039	707373	470273	516991	665528	661473	1034880	759909	377110	757801	429435	491397	769059	548928	827613	1151176	1297750	1277579	610076	434467	562706	476507	1291280	449704	756985	688435	622982	532757	681358	808951	551971	1267311	715644	857930	430785	605508	773295	644071	417171	22424	3812	0	507335	445581	3496	695887	530479	721500	650475	583229	6074	916231	675852	376408	754983	537187	332236	701524	475865	720863	615771	303847	713527	595168	578152	1046907	1666548	1425925	510161	560432	648873	567493	651804	0	467911	596518	403557	429341	377869	525602	568946	690812	473726	671112	424988	592234	652463	805556	826214	765283	472482	695249	5504	700808	730673	447706	658703	708967	832830	390669	754511	398201	604617	524307	3346	455370	737605	Lipid	0.25	1.4166666	0.0
14	C24 H34 O6	419.24283	419.24335	-0.11279445	419.24277	13314	12865	12588	12381	4194	5297	23604	12984	8155	4249	4676	13667	4205	5737	13795	17737	38575	4742	6828	4738	6135	7595	10899	13514	12230	5755	20792	0	13097	15423	13035	26583	12507	8644	5617	14431	9309	14797	38317	6074	10375	7580	0	0	0	4597	11604	0	14290	15632	16208	10877	7813	227	6042	10029	8380	17232	5006	13530	0	1495	6502	6476	8680	4709	6884	36279	0	5080	7348	7373	8928	15722	28677	17903	0	7993	20559	0	13440	8539	16746	5081	14109	8295	25190	5671	10011	38722	6565	13615	13560	5496	5837	0	10212	11919	6131	17019	18135	18314	10088	10622	0	13779	12862	0	19523	3397	Lipid	0.25	1.4166666	0.0
26	C24 H34 O6	419.24283	419.2433	-0.107186005	419.24277	278164	253233	268651	267566	263811	159964	186615	269662	274358	329416	282363	141728	323952	187264	220913	300389	209620	328338	466211	529044	444247	276658	176155	245253	248518	472617	167445	330393	314588	273334	254996	369238	370961	212752	505650	318340	440651	168108	210535	325099	235253	189643	19124	0	0	249597	174440	0	279215	232021	274132	259818	215795	0	371008	313559	158590	308836	251218	131709	292442	216077	279983	244754	127881	282763	250140	237453	427883	698871	499177	200682	242310	285957	197406	266278	0	203924	242814	239565	162483	161539	237805	231631	276594	187289	274394	165328	211660	250477	332829	375199	353111	210414	274730	0	278019	304231	183240	299144	299567	393504	150647	307140	209673	235464	199714	0	222989	256119	Lipid	0.25	1.4166666	0.0
18	C24 H34 O6	419.24283	419.24326	-0.18808696	419.24274	142321	148540	135276	119985	110275	72231	155737	133077	89123	85513	86704	109914	104284	80495	115281	202123	264271	98947	154883	110488	119256	106286	107110	134628	114412	129213	157188	84298	144693	138036	125975	173029	170204	126546	96033	146119	134691	111754	300415	75530	100906	95484	3183	764	580	66311	87106	585	160227	126832	133925	138151	98383	1082	140675	136008	95507	184073	74482	107031	132780	48721	106676	104998	89311	100443	102441	298285	98080	125049	185528	81474	103842	146568	253418	156484	0	83933	192154	90764	130419	75120	111960	74259	181365	121188	191231	86830	101994	264656	126407	132376	162706	65272	97586	1120	135964	128172	94687	182613	195275	178983	89565	120674	49107	120341	111838	498	139570	85938	Lipid	0.25	1.4166666	0.0
28	C24 H34 O6	419.24283	419.24323	-0.1915873	419.24274	32968	30849	33242	34772	35902	16869	30344	34761	33310	33958	27852	18296	38437	25643	24048	38855	33744	35457	55224	41188	39815	31212	27273	31262	30289	58610	28451	37736	43142	39530	32912	41254	45382	26526	48854	40000	42897	22025	36804	29621	31217	22367	1784	0	3105	22318	16838	1206	35703	34108	34790	32597	29719	0	45683	39710	16312	41406	26516	16854	39905	19009	35584	30483	16901	44191	36618	35840	48153	61843	70316	20776	23911	32255	21358	33075	0	21070	45556	39702	18809	16756	29070	26322	38735	22233	52451	18333	22840	44149	37547	47337	44275	29338	25105	2579	34836	27343	20427	47833	53801	49986	19801	36944	22321	32766	27502	1144	25937	27730	Lipid	0.25	1.4166666	0.0
20	C24 H34 O6	419.24283	419.24326	-0.13469784	419.24277	346539	355609	331867	305854	314104	199434	337377	296743	299294	303062	261950	235265	283751	212827	282695	399399	506876	283082	411100	359992	367909	259591	246698	295349	248475	452864	341195	256259	352930	319376	245471	339729	385624	271001	317137	358601	368778	230073	518942	217859	294555	249019	9873	946	941	193998	237928	1827	347045	279786	324743	330728	265833	2563	350151	320767	207366	349708	206153	247087	331833	149347	306636	283056	211567	293373	259478	542033	346248	469233	574376	207331	274867	323005	506378	317167	988	223877	396042	219227	267846	143568	325492	294290	413275	264246	436744	226034	266253	493031	337521	310069	363303	182397	253079	2386	326084	344738	241851	402970	422828	418026	226860	323729	160870	308090	336209	1722	294223	311549	Lipid	0.25	1.4166666	0.0
28	C21 H38 O6 S1	419.2462	419.2456	-0.2906656	419.24606	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1661	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2198	2781	0	0	0	0	0	0	25670	6911	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2857143	1.8095238	0.0
6	C18 H34 O7 N4	419.25003	419.2506	-0.021990657	419.25003	2322	3860	2564	4168	0	3683	0	0	0	0	0	0	0	0	0	1469	0	0	0	0	0	1296	0	1540	934	0	0	36623	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2883	2724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	486	607	238188	0	0	0	0	0	0	0	0	0	935	116954	37521	4864	19183	1090	0	1916	1968	0	0	0	0	556	0	0	2465	0	0	0	0	Peptide	0.3888889	1.8888888	0.22222222
2	C18 H34 O7 N4	419.25003	419.2507	0.020970037	419.25003	2376	798	1279	1321	0	0	0	0	0	0	0	0	0	0	0	0	0	373	0	0	0	0	0	0	0	0	0	116550	0	0	0	0	755	648	0	0	564	0	485	0	0	0	0	0	0	0	0	0	0	0	668	1768	0	0	358	0	0	0	0	0	0	0	0	0	0	0	0	565	0	0	0	0	508	510	0	0	0	0	709	270796	0	0	0	0	0	354	470	0	0	1507	22723	12303	1066	9613	0	0	1557	1103	0	0	0	0	0	0	0	722	0	0	0	0	Peptide	0.3888889	1.8888888	0.22222222
0	C18 H34 O7 N4	419.25003	419.251	0.09899818	419.25006	0	0	0	0	0	0	0	0	793	0	0	0	0	0	0	0	0	1196	0	0	0	0	0	0	0	0	0	29938	0	0	0	0	745	0	0	0	0	0	981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	816	704	0	0	0	0	0	0	0	0	0	0	3389	0	0	0	0	0	0	0	0	0	0	0	0	3144	0	0	0	0	839	0	0	0	0	0	0	0	0	0	0	0	0	0	0	715	0	0	0	0	0	0	0	0	0	0	Peptide	0.3888889	1.8888888	0.22222222
8	C18 H34 O7 N4	419.25003	419.25024	-0.13543974	419.24997	0	0	1073	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6291	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61896	0	0	0	0	0	0	0	0	0	0	50412	13661	0	4462	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3888889	1.8888888	0.22222222
4	C18 H34 O7 N4	419.25003	419.25064	0.08192394	419.25006	2052	2045	1880	1383	0	2818	0	0	0	0	0	307	0	0	0	756	0	0	0	0	0	1648	0	949	950	0	0	17319	0	0	0	0	0	0	0	0	0	0	0	0	0	396	0	0	0	0	0	0	0	0	1800	1108	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	276302	303	0	0	0	0	0	327	0	0	388	93187	29313	11218	13058	1618	0	1440	1605	0	0	0	0	380	0	0	1744	0	0	322	0	Peptide	0.3888889	1.8888888	0.22222222
24	C28 H34 O3	419.25806	419.25845	-0.22644755	419.25797	17237	15968	17150	13787	14945	7485	15982	17254	17234	3046	13673	15799	7143	8521	15004	20661	39650	6996	16359	7658	7939	6735	12454	14616	13713	19375	20231	10002	18206	26401	17745	19580	23089	13096	10472	25982	18186	16022	41794	7996	17303	13883	0	0	0	5441	10001	0	18187	17692	16341	16409	15096	0	15175	17088	12314	17879	9258	14202	16897	4720	9159	12305	9046	10600	11218	43826	13938	9964	26305	8375	11525	24866	26465	23733	0	12202	21032	11177	17875	9043	11767	9003	22858	17420	28913	13261	13916	35542	14117	6736	12377	7152	6104	0	16761	15990	18110	29592	29541	30039	15249	20349	5615	15652	19537	0	22100	8216	Phytochemical	0.10714286	1.2142857	0.0
22	C28 H34 O3	419.25806	419.25845	-0.26946872	419.25797	9995	4845	6824	5196	6447	1591	8467	6806	6460	0	3558	6687	2426	0	7141	8758	26983	0	3667	1825	2340	3880	6083	5267	7034	7454	6986	5049	5029	11211	6399	7399	8527	2274	1552	7221	5924	8865	28747	2177	4540	4131	0	0	0	4034	4026	0	6866	6402	6925	7686	5325	0	6247	6446	4642	10450	3854	8863	5288	0	2723	3887	4937	4123	5398	29033	2584	4660	7344	1989	2598	7193	15938	8113	0	6791	12366	6784	8377	2757	4191	3135	16099	8169	15567	3394	4636	20073	4272	3137	7483	3958	3429	0	7315	3083	5094	13595	10538	13925	4479	4184	2059	7896	7921	0	9947	2028	Phytochemical	0.10714286	1.2142857	0.0
26	C28 H34 O3	419.25806	419.2585	-0.21143903	419.258	19880	17877	14377	15734	23991	8505	13607	19463	18754	6271	15553	17998	15062	9353	23157	25671	26076	8008	22492	12150	8345	11497	13561	19345	20544	36825	13175	17393	25912	38615	20151	21079	25185	17009	9327	34862	18558	13089	29403	11243	13789	12194	0	0	0	7424	9498	0	20661	28114	17514	15621	22741	0	18752	15491	12055	26165	11129	16357	16875	4891	11660	13263	8380	11498	14082	35373	29722	20808	26476	11736	15287	29017	22238	28533	0	13874	23079	17331	15889	13725	16294	11789	28342	13805	25776	11633	13991	21238	12462	10643	15815	9746	7327	0	15892	19220	14093	37049	32004	31944	15272	20715	8846	17115	26015	0	21643	9460	Phytochemical	0.10714286	1.2142857	0.0
20	C25 H38 O5	419.2792	419.27963	-0.16811766	419.27914	9663	18848	12368	10314	10113	4961	29200	12137	8110	4128	5052	10172	4304	9658	9304	26592	47256	4420	11852	0	0	3403	8715	8206	13890	9130	28843	5881	13983	16994	11888	20601	16667	12394	6156	17266	15276	16261	48005	1354	4956	10512	0	0	0	4800	4213	0	19056	13086	10454	16490	11137	0	14280	16886	12232	17126	5695	10738	15123	1024	8578	5017	16328	7353	12810	52669	5779	5557	9647	4183	9603	15897	44636	18571	0	9413	20227	7140	11657	4435	19738	12852	22714	17679	33600	6877	10816	51971	15133	7192	8108	3455	2580	0	15371	14788	9687	19055	26622	20217	9543	6464	3610	14825	18551	0	18894	3441	Lipid	0.2	1.52	0.0
26	C29 H38 O2	419.29446	419.2948	-0.22943334	419.29437	5902	8473	7742	5173	6044	0	8416	12374	6446	0	0	9770	0	6058	13569	12556	29442	0	4753	0	0	3935	5631	5233	12444	0	12919	4564	11916	23667	10401	10257	9785	4063	0	21332	6496	12430	27686	0	2899	0	0	0	0	0	0	0	12210	20085	8091	4628	4942	0	5919	9282	6320	11508	0	4313	6446	0	1840	5424	4304	2814	3192	37810	0	0	1762	0	3829	24000	19334	16319	0	8459	18537	6077	10286	2811	5417	0	16946	12031	25601	4116	4464	35096	3220	1566	5683	4212	0	0	7755	0	5389	19726	16663	15811	12664	6372	0	6818	11737	0	15531	0	Phytochemical	0.06896552	1.3103448	0.0
24	C29 H38 O2	419.29446	419.29483	-0.22543412	419.29437	2289	4525	2972	1910	1376	1056	5719	3576	2850	0	0	4897	0	3530	3341	8300	26038	1830	3104	0	0	0	1733	3301	3819	1797	7687	0	4437	11956	4503	6089	1790	1463	0	7879	1920	5300	27934	0	1699	1438	0	0	0	0	1162	0	5034	8515	3979	3188	2707	0	2589	3610	5978	4131	2552	3683	6331	0	0	0	3291	1589	3046	30652	1211	0	0	0	1614	8652	12208	7907	0	4189	11220	2401	5880	1452	2125	0	5863	3961	15880	1360	1935	29402	1959	0	3801	0	0	0	5174	3128	4607	8873	11829	6431	4435	1679	0	5026	5642	0	5724	0	Phytochemical	0.06896552	1.3103448	0.0
24	C26 H42 O4	419.31558	419.31592	-0.24141194	419.3155	5654	3966	4677	4420	1279	1708	62674	4213	2058	1478	4312	3060	0	12999	4112	4825	15914	0	0	0	0	0	1685	1183	3808	5029	59476	6740	7063	6113	3592	7295	3626	3857	2473	7344	4399	4145	16968	0	2401	3624	0	0	0	1106	1842	0	6291	3315	5371	5458	4228	0	1405	1907	3030	6451	0	4761	7687	1516	4844	0	10033	3914	9046	17408	1486	1571	2391	1951	3773	7142	8255	4614	0	2667	3653	5367	1809	5056	11641	18176	1854	4986	15699	2415	3492	14178	5097	3567	3849	0	0	0	3626	4675	1702	1467	4693	8956	3400	3907	3529	2952	2165	0	6375	0	Lipid	0.15384616	1.6153846	0.0
26	C26 H42 O4	419.31558	419.316	-0.21493794	419.3155	16664	16764	17997	17983	7457	5776	239015	13573	6895	3164	18423	11614	4386	43938	12206	17033	37819	0	9382	6248	0	6937	6183	5668	17567	32793	225673	34658	17987	19099	11837	20449	13010	10580	4744	20793	13724	15143	35990	3544	17196	14106	0	0	0	7996	8017	0	17424	19474	18879	18234	14351	0	6414	9801	16306	16876	15716	22580	30403	11180	20186	5632	41344	12394	31088	35971	12964	8744	11489	6741	13743	25190	17988	20338	0	8875	11548	29661	6825	25110	33584	44093	9929	14177	32926	5446	13309	30889	21110	17453	10166	10750	7271	0	18615	21444	13935	11492	11816	26925	9997	23105	23407	8240	5725	0	14301	7165	Lipid	0.15384616	1.6153846	0.0
26	C27 H46 O3	419.35196	419.35187	-0.2572777	419.35187	0	0	0	0	0	0	34341	0	0	0	4947	0	0	4812	0	0	0	0	0	0	0	0	0	0	0	5495	38503	2826	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6639	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2187	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.11111111	1.7037038	0.0
28	C27 H46 O3	419.35196	419.35226	-0.03316313	419.35196	1114	887	1169	855	0	0	25268	0	0	0	8239	805	0	3896	0	0	0	0	0	0	0	0	1890	1805	0	5391	20306	3831	0	0	1367	0	0	0	781	0	0	1272	1196	0	1492	0	0	0	0	0	0	0	0	0	1409	0	0	0	0	1930	1007	0	1818	1734	3757	0	1071	952	7108	0	0	1159	10023	942	0	0	0	0	0	1022	0	0	935	8041	0	3090	1315	2904	0	0	1404	0	0	1587	0	0	0	2270	0	0	0	0	2318	0	0	0	1394	5027	3498	0	0	0	1552	0	Lipid	0.11111111	1.7037038	0.0
14	C26 H46 O2 N2	419.36322	419.3633	-0.030549126	419.3632	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1897	0	1610	0	0	0	23332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1046	0	0	0	0	0	0	0	0	0	0	0	0	0	0	883	0	0	0	0	0	0	1966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.07692308	1.7692307	0.07692308
16	C26 H46 O2 N2	419.36322	419.36346	-0.12739035	419.36316	2263	0	0	0	0	0	0	21959	0	0	0	0	0	0	0	3723	0	0	0	0	0	0	0	0	21936	0	0	0	4053	0	386306	4206	0	2188	0	7199	2189	0	0	0	0	0	0	0	0	0	0	0	14180	6751	1586	1988	0	0	0	0	0	2340	0	0	0	0	0	0	1230	0	0	0	0	0	0	12772	0	0	0	0	0	1548	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2873	0	0	0	0	0	1187	0	0	0	0	0	0	0	Lipid	0.07692308	1.7692307	0.07692308
18	C26 H46 O2 N2	419.36322	419.36337	-0.021552714	419.3632	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11085	0	0	0	0	0	23958	0	0	0	0	12230	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5243	0	0	8989	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.07692308	1.7692307	0.07692308
26	C18 H13 O11 N1	420.05612	420.0566	-0.11879298	420.0561	4439	2636	2480	2131	8109	4866	0	0	9602	2147	0	0	16984	1961	0	0	0	16502	13427	0	0	5098	0	0	0	0	0	0	0	0	0	0	3591	0	2467	0	2680	0	0	0	3764	0	0	0	0	0	5840	0	0	0	4358	2993	4102	0	11395	6010	2783	0	0	0	0	0	24986	11030	0	10566	2486	2066	0	0	0	0	0	0	0	0	0	0	4753	0	5122	0	0	0	8863	0	3679	4065	3824	2009	0	0	5663	9316	5825	0	2730	0	0	5157	4627	0	0	0	0	1867	0	0	0	29670	Phytochemical	0.6111111	0.7222222	0.055555556
18	C18 H13 O11 N1	420.05612	420.0567	0.038483813	420.05615	4059	3006	2531	4150	9393	5702	0	0	8143	0	2655	0	18148	0	1753	0	0	9178	8970	0	4884	14557	2349	0	0	0	0	0	0	0	0	0	0	0	2754	0	0	1513	1420	2314	6478	3302	0	0	0	1662	4964	458	0	1362	3276	4320	4676	0	10071	9197	3044	1125	0	1948	0	3453	16817	17130	3179	11349	2497	0	1278	0	0	0	0	0	0	0	0	0	0	6816	1368	2437	0	0	12395	5326	3459	4052	3795	3272	0	2140	0	19777	11004	0	3533	2763	4698	10362	15745	0	0	0	2801	1776	6599	0	0	24017	Phytochemical	0.6111111	0.7222222	0.055555556
14	C18 H13 O11 N1	420.05612	420.0568	0.024412472	420.05615	3345	3657	1636	3240	7582	0	0	0	7700	0	1810	0	15799	2236	0	0	0	7433	5918	0	3170	9374	1347	0	0	0	0	0	0	0	0	0	1809	0	4377	0	0	0	0	1225	4542	2815	0	0	0	2063	6373	0	0	0	1679	3031	3027	0	5372	9604	1664	0	0	0	0	0	21021	15218	2806	7986	3318	0	0	0	0	0	0	0	0	0	0	0	1489	0	0	0	0	0	8346	0	0	2732	1464	0	0	0	0	18918	4738	0	5312	2301	9003	12734	10126	0	0	0	0	0	5900	0	0	13912	Phytochemical	0.6111111	0.7222222	0.055555556
16	C18 H13 O11 N1	420.05612	420.05685	0.030472288	420.05615	5343	0	1753	1953	7971	0	0	0	9615	2160	2518	0	22277	2130	0	2309	0	10218	8204	0	4308	19933	3146	1762	0	0	0	0	0	0	0	0	0	0	6216	0	0	0	0	1579	6664	2232	0	0	0	1520	5904	0	0	0	3290	1665	3208	0	9011	9990	1776	0	0	0	0	5419	25093	13160	2632	12397	2955	1287	0	0	0	0	0	0	0	0	0	0	2405	9324	1764	4656	0	0	8492	3656	3074	2503	0	0	0	2508	0	18637	8042	0	1644	3217	5476	10302	13547	1932	0	0	0	0	6774	0	0	23154	Phytochemical	0.6111111	0.7222222	0.055555556
8	C19 H17 O10 N1	420.09253	420.09317	-0.03483906	420.0925	11638	11048	8431	9055	14128	3859	1085	1877	19686	24380	24733	2632	25529	3631	3458	3989	4064	13405	16327	15654	22799	24751	5214	3726	0	1686	1970	2691	2240	2365	2695	1953	4094	2178	38766	1313	3572	3384	3441	17045	31452	4680	0	0	0	9386	23971	0	3032	2085	11777	11689	8607	0	19852	17149	6505	4881	4034	4814	0	16205	34055	18763	5933	21050	7821	7601	8412	6970	16982	2038	2738	0	2162	1409	0	1886	5897	6394	5448	7902	1942	4187	15856	7707	5903	7257	5190	7344	0	0	5071	24247	20033	0	9069	11881	15118	27468	17479	3856	2217	6252	10267	3455	11626	0	1947	29067	Phytochemical	0.5263158	0.8947368	0.05263158
16	C19 H17 O10 N1	420.09253	420.09308	-0.003831332	420.09253	48486	55643	45143	52582	56968	37533	10476	11247	74627	143698	69571	14181	130460	24545	19931	17301	17093	89178	79998	95320	119699	147816	35753	25581	14894	22273	14208	36534	11148	11433	9509	7846	33238	11819	194561	8674	26966	16526	18662	99792	103090	24829	1640	0	0	70384	112964	607	14077	9068	40907	49539	37175	458	80549	65353	29146	21854	19698	19658	18355	80942	112690	69963	23890	79475	34348	13828	41095	43741	70079	11545	6993	6642	11496	8471	367	9340	36626	104832	24861	64558	11251	48829	69541	27803	35165	31505	28270	43800	26376	41887	40517	136226	168972	0	44520	48335	46502	66050	68287	24498	11265	21961	65925	19303	53703	0	15492	122861	Phytochemical	0.5263158	0.8947368	0.05263158
22	C19 H17 O10 N1	420.09253	420.09305	0.016322661	420.09253	11196	9773	11562	8505	16622	10148	1514	2679	17518	24499	7898	4251	36470	5991	5653	3217	2405	23051	11484	15236	23872	40197	7003	3228	4950	5431	2077	5511	1876	1258	1579	5793	6472	0	20331	1490	3693	4020	1896	19409	20038	3990	0	0	660	25273	55226	0	1605	1274	8999	10786	12789	815	22860	16148	9198	2799	3413	3128	3436	12301	30215	19937	7862	16266	6642	2656	5524	5256	7429	1757	0	0	1490	1265	740	1641	11504	25661	8546	26198	2652	7578	19190	12179	7893	5878	6253	1765	4243	8226	6843	42235	46518	0	8778	11352	12008	16027	13626	5632	3631	3748	28025	4264	12886	0	4823	31207	Phytochemical	0.5263158	0.8947368	0.05263158
20	C19 H17 O10 N1	420.09253	420.093	-0.06845605	420.0925	20978	18179	23047	20000	28277	15916	3751	4578	31646	50252	24432	4839	60763	11912	10362	5571	4293	40821	35686	31438	43755	66009	9713	9342	5415	6670	6457	12060	3224	1756	6072	2865	9484	4676	58386	4315	10217	7003	5916	30082	30402	11342	1709	0	541	32322	53883	1131	3737	4857	18132	19524	23148	0	36721	35329	13651	3544	6598	3711	8402	31409	54250	38699	13058	36678	15032	4626	17289	12446	14871	3217	4786	0	3684	3336	0	3971	20878	51625	9774	24751	3088	15423	40278	20833	17646	13044	13263	9289	11632	10188	15702	67147	67267	606	14874	24201	19870	29430	30486	10812	5216	7624	28905	9333	22390	675	7508	66168	Phytochemical	0.5263158	0.8947368	0.05263158
14	C19 H17 O10 N1	420.09253	420.0931	-0.021250514	420.0925	63451	58833	52399	56329	50639	35986	13014	18533	66728	158466	112622	17367	116702	27580	19089	24484	18767	76356	80635	91894	157192	164396	31510	22059	10422	29429	11189	45965	12098	10216	11002	8392	28537	7685	219819	10162	25910	20070	18133	92996	147857	24055	0	0	0	73194	138219	0	16095	15338	46758	55894	41953	332	97714	57327	26804	26172	32642	21639	25854	101758	134869	82324	26681	81737	31309	19410	77674	39912	78030	9364	9860	4086	12828	7783	0	13850	33259	122983	23909	64898	9902	38124	69332	40588	37614	27673	28782	52090	25493	34681	40213	156784	152177	0	48688	53740	52889	68218	56548	37313	12779	20494	90162	26121	47066	0	16422	100704	Phytochemical	0.5263158	0.8947368	0.05263158
6	C19 H17 O10 N1	420.09253	420.09332	0.008682184	420.09253	5911	5258	4496	8483	12894	3126	0	0	15041	7222	15454	1920	24474	2440	1774	2102	2218	12048	12493	4836	16554	18482	3324	878	0	1845	0	0	1938	1442	1596	0	3382	0	20561	2170	3586	1106	3143	5678	17838	3248	0	0	0	4822	11706	0	0	0	6182	5640	4911	0	14551	15426	4749	2284	1756	3273	0	4078	27774	13662	2788	15326	4780	2372	7322	0	10904	1920	1500	1718	9894	0	0	1908	5999	0	2731	4796	726	0	15194	4010	4839	5604	6175	3976	0	0	3990	10012	9558	0	4628	7124	10708	14254	15582	0	1552	4276	0	3176	11933	0	0	22789	Phytochemical	0.5263158	0.8947368	0.05263158
12	C19 H17 O10 N1	420.09253	420.09314	-0.020177592	420.0925	46296	37811	38077	41378	41614	19492	8396	10866	54323	100525	71550	14318	77945	15833	13234	16460	19196	56452	57458	85212	109087	122279	22730	20170	4781	17631	7836	39766	8585	9088	11036	10892	22605	11656	161058	6676	17381	14872	17818	69693	147070	20178	1030	0	0	48763	108746	0	8955	8446	39618	35718	29132	0	64878	47708	19447	21092	14607	29212	16498	71353	106147	64572	16830	67072	23929	20013	55870	45052	74206	7629	8949	8915	9645	9348	0	10448	24977	71265	21477	53178	9947	22945	58931	21585	23048	18580	22314	39990	11679	31355	31650	122751	91014	0	45058	44492	42658	51110	49022	24975	13792	13600	66224	23042	36606	0	8016	92076	Phytochemical	0.5263158	0.8947368	0.05263158
10	C19 H17 O10 N1	420.09253	420.09314	-0.034846276	420.0925	65464	52351	73546	68030	39309	32816	64120	82139	34920	61075	46722	130154	58524	8549	27993	78258	350206	36643	68154	34815	72824	81616	80571	120652	16739	8990	65575	14043	79833	95240	42767	74332	128531	103255	86228	111488	112702	28667	246371	33336	87614	35675	0	0	0	26108	72290	0	181728	86704	83641	53690	64369	0	41791	33956	24313	42188	10626	13366	49412	36770	64269	48455	25563	37908	85585	207843	40321	18592	48242	48336	68114	24523	154340	83524	0	58204	149102	29790	48320	24482	4580	14753	45859	26750	105365	106942	108554	168701	0	27419	43895	80563	61235	0	81016	41278	28441	34679	42196	200100	86167	11504	28807	93804	36050	0	57864	72420	Phytochemical	0.5263158	0.8947368	0.05263158
18	C19 H17 O10 N1	420.09253	420.09305	-0.019491319	420.0925	43757	35268	34610	30027	53953	31358	8199	12176	48988	86755	40907	7739	104867	23542	10324	15608	8873	74323	58935	66135	82017	110361	23564	19174	12131	16810	9524	19329	6963	6204	8174	4732	18499	8794	115269	10287	22844	12210	12662	61739	63832	18505	2132	0	377	59153	80003	809	11292	7590	33990	35566	35694	522	70504	46936	22783	14012	13153	8471	16760	55664	93243	55432	19518	61426	27863	10609	31602	26387	35258	6815	5109	2185	5313	6664	485	10213	33540	78047	19856	50182	12546	27693	56215	31814	27297	23214	25757	14501	17121	28707	27827	108261	123525	0	35585	40192	37097	49645	52349	18977	9105	15108	44214	13413	37230	419	10854	91569	Phytochemical	0.5263158	0.8947368	0.05263158
26	C19 H17 O10 N1	420.09253	420.09293	-0.15303822	420.09247	3248	3639	5182	5607	6468	5089	0	0	9016	15917	2199	0	13566	4331	0	0	0	12517	6936	5218	5895	13894	0	0	0	0	0	0	0	0	0	0	1782	0	13879	0	0	2634	0	5796	6359	0	0	0	0	5071	14366	0	0	0	5334	3957	3834	0	9890	0	0	2104	0	0	0	4555	15937	10011	0	8074	2734	0	0	3018	3186	0	0	0	0	0	0	0	3990	6070	3652	4962	0	0	9301	0	3483	3626	3504	0	3154	2857	0	12842	20820	0	4451	0	2765	6393	4503	0	0	0	0	2197	0	0	0	20834	Phytochemical	0.5263158	0.8947368	0.05263158
24	C19 H17 O10 N1	420.09253	420.09296	-0.07108613	420.0925	2447	6675	4537	6939	8097	6531	0	0	8957	10215	3501	2053	15800	2275	2056	3191	1532	12451	11079	6915	10912	19981	2843	1829	0	0	0	1326	1306	0	1370	0	1574	1169	13508	0	3241	1336	0	6944	7956	2500	0	0	0	8687	14923	0	0	0	5499	5087	4392	0	13192	7577	4133	0	1992	2524	0	6250	16949	12071	1828	9238	2203	0	2161	4526	4788	2199	0	0	0	0	0	1725	7452	12752	3834	6538	977	4527	13683	6136	4178	2725	3839	0	2261	3453	4422	21669	25779	0	5442	3619	3904	8749	6413	2146	2256	2608	7239	1913	7148	0	1862	20682	Phytochemical	0.5263158	0.8947368	0.05263158
8	C18 H17 O9 N3	420.10376	420.10443	-3.40699E-4	420.10376	19470	14976	12212	18538	17394	6954	5546	6290	27880	20078	16980	6892	34712	7028	5364	10962	14116	17822	28672	18738	31398	37862	14634	17942	2932	2299	3768	0	2838	4198	7076	9294	11070	6056	33744	6272	10802	9790	12470	21942	42272	11712	0	0	0	15110	36778	0	12148	4390	13705	21640	11214	0	29712	19862	6234	8362	5334	12200	9320	19588	55274	29538	12974	21654	11518	19084	7886	8870	17908	3384	4316	2050	5310	5214	0	5294	13688	9820	11494	10302	2728	7376	18790	9234	11184	14974	12912	26504	0	16154	23716	27020	22824	0	9978	15962	17656	28814	19874	10878	6210	13110	13350	16086	17744	0	5556	42320	Peptide	0.5	0.9444444	0.16666667
22	C23 H17 O7 N1	420.1078	420.1082	-0.10229438	420.10773	2351	2906	2319	1776	0	0	0	0	1725	5519	10021	0	1726	0	0	0	1795	0	0	2147	5211	5218	0	0	0	14351	0	5230	0	0	0	0	0	0	7264	0	0	0	1150	4820	11681	0	0	0	0	3240	10099	0	0	0	3048	0	0	0	0	0	1265	0	0	1819	2093	3050	1968	0	2120	0	0	0	14262	8677	22927	0	0	0	0	0	0	0	0	4940	0	3954	1025	3650	1538	0	0	1666	0	1275	2266	0	1915	6243	4191	0	1518	2154	0	1588	0	0	0	0	2686	0	1624	0	0	0	Phytochemical	0.3043478	0.73913044	0.04347826
18	C23 H17 O7 N1	420.1078	420.1083	0.05529715	420.1078	2153	0	0	1718	0	0	0	0	0	2532	7193	0	0	0	0	0	0	0	0	5377	2077	2341	0	0	0	14732	0	6045	0	0	0	0	0	0	3156	0	0	0	1469	2104	6334	0	0	0	0	0	6495	0	0	0	2680	0	1519	0	0	1206	0	0	0	1969	0	1510	0	1608	939	1706	0	1454	21324	16002	30549	0	0	0	0	0	0	0	0	4903	1153	3938	0	1963	1590	0	2549	0	1511	0	0	0	3176	4069	5281	0	0	0	0	1942	0	0	0	0	0	0	0	0	1162	0	Phytochemical	0.3043478	0.73913044	0.04347826
8	C16 H21 O12 N1	420.11365	420.11435	-0.003626892	420.11365	8820	10723	8715	8183	22377	9676	2216	5293	26945	0	6687	7538	68256	6215	6555	8157	12155	31003	33973	7302	14647	13557	12789	6914	1772	0	3296	0	3463	4884	3600	2776	6761	2834	9314	3113	6337	5751	8126	0	7530	18329	451	0	0	0	7113	0	0	5825	8449	11342	15409	0	47287	45486	13128	5724	3534	8464	7973	3843	59702	43885	11454	32869	13759	9503	0	0	0	3185	5340	4147	7234	4276	0	5545	10925	6168	6581	0	1487	0	45623	11704	6680	17961	12199	8019	0	0	11376	14403	11952	0	10377	12933	23687	43581	57990	12532	5437	5969	0	6893	34305	0	2429	53386	Phytochemical	0.75	1.3125	0.0625
6	C16 H21 O12 N1	420.11365	420.11444	0.06299086	420.11368	2866	0	1972	3933	8036	2510	964	2903	9056	0	0	1834	25828	2503	1785	0	2291	11273	12972	3657	4974	3271	4932	1905	1064	0	1128	0	0	1275	1856	0	2029	0	0	1265	2336	1641	2327	0	1927	5986	0	0	0	0	0	0	0	2427	4018	2658	5729	0	13114	18087	4807	1901	1519	3326	1907	0	16829	11465	5625	10946	5225	0	0	0	0	2969	1628	997	2132	1011	0	884	4128	0	1730	0	625	0	17667	5110	2070	5392	4080	3931	0	0	0	3798	2845	0	3360	4646	7893	17369	26128	3432	0	2145	0	3093	11937	0	882	14424	Phytochemical	0.75	1.3125	0.0625
12	C16 H21 O12 N1	420.11365	420.11426	-0.05288226	420.11362	18399	13097	16963	16951	53503	30536	4608	12264	81508	9742	18632	18110	136353	15420	21375	11458	23036	91143	89177	21399	46388	22432	42464	7530	4003	0	2280	0	8125	7042	5955	6787	17785	5529	19270	9871	14907	15735	10971	0	17883	48368	770	0	0	10534	23903	465	5654	12293	20216	20096	39074	0	135824	93980	29273	5742	7143	15022	0	13191	135469	105749	23339	67152	30574	13789	0	0	0	8691	6039	7393	10576	6221	0	14857	12012	21359	14167	8852	3736	0	81645	26453	17225	25221	27853	9217	0	9633	17978	37805	12441	0	23215	31479	66755	68326	79172	23955	16344	7765	0	12877	68335	0	4473	131195	Phytochemical	0.75	1.3125	0.0625
10	C16 H21 O12 N1	420.11365	420.1143	0.002119995	420.11365	20073	19797	12664	15399	47349	21474	4274	10343	56724	9677	12550	17306	120326	13278	13137	15789	19693	71534	67173	18342	36722	20302	26277	8466	2584	0	4594	0	9083	8079	7095	5708	13134	4334	12065	7451	13110	7464	8588	6242	13996	37327	1185	0	0	12247	18146	0	9106	9162	20653	19897	31866	0	96025	80310	22891	7110	6560	9242	0	11211	99155	82145	27013	50296	24866	13784	0	0	0	7166	8511	5700	11908	6717	0	8545	19526	18494	12049	5563	2645	0	75758	20310	10274	29203	25788	11253	0	7411	18993	30543	19684	0	19991	29604	48726	63821	76640	19137	12017	9999	0	12458	52146	0	3214	99227	Phytochemical	0.75	1.3125	0.0625
16	C16 H21 O12 N1	420.11365	420.1142	-0.055136796	420.11362	13144	10583	11868	11022	36948	23671	3520	5184	52689	0	20014	14134	87314	11687	12516	6818	11680	52910	47264	11696	26568	13396	23352	7975	0	0	2779	0	1882	4528	5719	4518	9653	4722	0	4257	11836	8236	8081	4673	17361	25050	871	0	387	12182	22511	0	4264	6150	18423	12934	23110	0	67373	51201	13251	3122	6026	10028	0	11417	65878	53021	17299	35567	20228	5896	14488	0	0	5737	3338	4454	10871	3443	0	8058	5089	14310	5493	8061	2738	0	40310	10839	7774	16117	16492	0	0	5093	0	20577	6472	0	13100	16845	31302	23993	26360	14521	10101	6310	19463	0	36748	0	1385	63793	Phytochemical	0.75	1.3125	0.0625
18	C16 H21 O12 N1	420.11365	420.11426	-0.098139696	420.11362	14166	10697	18193	15863	20943	14338	2649	9726	12689	38459	21938	9282	29495	8725	8435	9299	5093	29432	25648	19086	35023	34267	10640	6504	4831	23186	1795	13137	0	2116	4925	3894	5660	0	27767	0	6873	6585	5908	32576	43915	11441	804	0	382	18892	34362	387	4517	3315	13069	11038	18094	0	40652	24521	8750	3907	7040	7726	7115	23131	25794	31607	8526	17682	13763	6640	23834	32280	26091	1446	3747	3882	3925	0	0	6133	6184	21734	7542	16531	4891	14641	23325	11900	7066	14573	15010	8645	14856	22345	10620	35219	32108	0	19638	13873	20888	14960	15750	8238	7340	11115	16511	8990	16289	0	3788	42139	Phytochemical	0.75	1.3125	0.0625
22	C20 H21 O9 N1	420.1289	420.1294	-0.085037425	420.12888	26283	29390	21582	20152	25404	22195	7389	8453	27445	73398	27373	8714	37418	31245	13390	14338	9736	36552	27099	45214	59080	48103	13537	15947	13251	37091	7200	21532	10001	7390	9869	5015	11621	7865	74319	6294	17127	8997	6905	47119	35776	12191	0	0	656	39325	56956	0	9731	7261	27116	25290	15953	1064	34966	26333	13082	11706	8916	5838	14482	32917	41287	27316	71790	27691	17033	5570	37259	49472	54286	7941	5769	3853	4674	5936	775	9289	16387	30395	14834	35389	8910	24727	31314	17516	14407	13831	14045	11747	11399	21992	13563	43770	59639	0	18595	21870	22306	23516	20609	12107	4933	10778	31143	13191	19973	0	9913	41050	Phytochemical	0.45	1.05	0.05
20	C20 H21 O9 N1	420.1289	420.12936	-0.10524699	420.12888	63657	46576	62706	52596	52761	45034	17293	23746	62002	173504	80503	20174	96935	30742	27946	36741	20880	87900	78250	134267	155650	108419	29053	39365	32681	95326	17678	55124	25019	20354	21043	18601	35599	29417	187116	19174	42425	22545	17107	107968	93265	32030	3589	701	500	117626	124509	979	28449	21802	58380	66161	44071	951	82004	52671	27827	36602	30244	19492	30272	88021	87668	69132	23105	67860	45330	18967	86565	115908	121958	26169	19471	18607	13718	17118	699	19328	44273	78111	34700	75914	26255	76450	66212	40252	38189	29747	34041	30985	47306	44041	58225	103639	140916	615	63203	68328	40639	50381	50489	28459	18361	38861	77323	36294	47571	834	23477	110197	Phytochemical	0.45	1.05	0.05
24	C20 H21 O9 N1	420.1289	420.12936	-0.074311346	420.12888	10400	10474	9657	10320	12647	8852	1802	3365	10372	29018	10320	2456	21196	4961	5166	4358	4847	18927	12242	17433	24100	22557	7103	6245	5980	15180	2053	7666	4623	2950	2415	2433	4656	2024	21281	2737	4085	4161	2557	13380	11098	3990	0	0	0	17300	21439	0	2756	1980	12085	6514	11282	0	16920	12800	3258	5535	2194	3054	3514	15154	17862	14119	3725	11552	3929	3722	14940	22205	25793	2596	2799	1415	3177	2727	0	4112	8095	13701	8579	13192	2993	10357	15665	4196	5709	4553	7359	3258	3895	2532	6122	20508	28667	0	11016	13125	10473	5745	7402	3647	2600	4523	12631	5012	9382	0	3317	20683	Phytochemical	0.45	1.05	0.05
18	C20 H21 O9 N1	420.1289	420.1294	-0.053028863	420.12888	116516	133562	113992	105956	102358	78305	44230	64665	110035	419085	165058	40412	179492	65878	70715	78220	39040	140893	141284	272373	275630	236406	76431	79496	55789	162881	38209	125593	54723	45272	50919	56738	81546	61853	426470	56324	87881	50571	43922	254085	183599	53685	4557	358	459	193285	183134	678	65286	41946	124243	114637	81666	671	145830	91160	55373	72022	66910	41803	70986	175537	173972	111696	45069	127494	77670	40922	171298	234392	210876	56482	38213	39005	37014	46333	492	38772	72824	145651	55548	149726	46966	129050	112893	69543	62918	65617	63963	60621	94705	135064	121071	168257	294808	1092	117465	118303	82475	77848	81677	65774	37073	84628	116775	66919	72025	562	41288	171479	Phytochemical	0.45	1.05	0.05
6	C20 H21 O9 N1	420.1289	420.1296	-0.055423245	420.12888	21155	24362	17230	23807	17573	10534	6810	13947	28151	64831	43494	10130	37395	7465	9540	14466	14034	21249	29380	35103	66246	39784	15082	17945	5347	16292	6463	24784	10612	9963	13057	14654	13557	9950	80256	9684	15032	10232	16804	31606	120208	13325	0	0	0	31554	57522	0	14332	12516	24437	24694	17462	0	28466	21786	9403	19082	10391	17623	15362	28370	38088	25266	7741	24265	15404	18034	28795	30969	53527	11396	12231	8857	6654	10193	0	7977	16436	16037	10163	19252	8000	15024	23250	13305	15833	10974	10637	19733	8826	15121	20390	38104	40822	0	25009	21650	17116	21967	22584	16881	7883	16304	24758	17076	18089	0	9156	36139	Phytochemical	0.45	1.05	0.05
26	C20 H21 O9 N1	420.1289	420.12927	-0.14427665	420.12885	4782	5438	7992	6521	5506	6378	1781	0	9487	24047	5479	0	14225	18225	0	0	0	12781	12625	10001	15752	17445	7529	0	0	5542	0	4804	0	0	0	0	2604	0	21867	0	4775	2839	0	9088	9218	0	0	0	0	6955	10953	0	2134	0	5189	7502	5354	0	10681	8356	2768	2485	3729	0	4759	5977	15428	7678	7434	8563	6475	2745	6541	12987	13504	0	0	0	0	3358	0	0	5277	8823	4897	5484	3070	3732	8897	0	3257	3263	3719	3190	3085	4256	7624	10901	20410	0	8619	6508	5886	4123	0	0	3160	5395	0	6325	0	0	0	14665	Phytochemical	0.45	1.05	0.05
10	C20 H21 O9 N1	420.1289	420.12952	-0.039340276	420.1289	96158	100356	81913	80660	66155	41372	37569	63344	73664	272071	133145	49532	115863	34843	42142	59371	44043	88078	89446	191530	228148	162730	54140	75728	33312	107833	34982	93486	44852	46808	45143	54543	71690	46753	327628	50389	63557	44411	60624	184771	208472	37903	1353	0	0	127398	186571	0	55263	53175	94362	90628	47784	302	103164	63147	33900	72371	56915	64390	72433	121967	111094	81373	31810	81064	50570	68504	188848	164028	233742	58292	50177	42228	38751	48980	0	37390	60705	95036	50893	90804	46142	77473	66156	40432	60187	40320	43424	81744	58633	86385	90063	129680	160355	0	95959	90710	55467	58590	59213	66291	40824	74260	109008	58455	49269	0	37530	111014	Phytochemical	0.45	1.05	0.05
24	C17 H25 O9 N1 S1	420.1323	420.1329	0.86823565	420.13263	0	1109	0	0	0	0	12997	0	0	0	0	1242	0	0	7924	9830	0	0	0	0	0	0	1264	0	3041	0	11112	0	1475	0	0	2431	0	0	0	6479	0	6520	39127	0	0	0	0	0	0	0	0	0	0	0	0	1417	0	0	0	0	1142	0	1283	0	0	0	0	0	1201	0	0	0	0	0	0	903	0	0	35886	1418	0	0	0	0	1144	0	0	0	0	0	0	0	0	2395	0	0	2022	0	0	0	1695	0	0	0	0	0	1167	0	0	1170	0	0	25178	0	Organosulfur	0.5294118	1.4705882	0.05882353
6	C19 H21 O8 N3	420.14014	420.1408	-0.07419949	420.1401	40071	42444	37025	43294	19350	18782	21928	45725	28025	46704	31382	28141	31639	8888	26001	45552	39751	0	35967	43044	55233	0	0	51163	17005	7770	21792	18875	33467	29331	31538	39140	44477	33086	56978	32408	40184	27733	54354	41942	64272	21227	0	0	0	49542	80015	0	44304	36105	39913	42481	22050	0	30602	19854	16164	42188	29753	40812	42687	36511	42167	33469	16445	30161	26118	59641	19456	21986	31710	35564	33319	25067	22347	28073	0	24149	31107	22402	29737	31312	21048	20130	25377	17100	34118	28742	26769	70639	23850	43074	70626	33953	38414	0	40257	39123	17640	0	45684	44780	26633	44829	42771	43806	0	0	23224	43076	Peptide	0.42105263	1.1052631	0.15789473
8	C19 H21 O8 N3	420.14014	420.1408	-0.07715302	420.1401	62226	65109	55310	0	0	27499	36343	0	0	0	42168	0	46801	11993	45790	68064	0	45951	56641	65262	76623	96509	52858	76751	30624	11103	32590	34246	44684	45832	50955	59931	59889	46565	0	46351	0	0	0	85809	90084	29976	0	0	0	77414	95662	0	62349	0	58537	57567	0	0	56342	26182	0	59242	47977	54883	63346	60623	0	43414	26933	46874	34836	74218	27002	33553	43364	56438	49987	0	0	49456	0	37624	54114	40272	42083	0	38773	40797	66954	21927	51702	0	31454	0	42517	68251	110858	57185	71150	0	0	61299	27230	0	0	57506	38162	78543	54107	66757	30071	0	38593	55889	Peptide	0.42105263	1.1052631	0.15789473
12	C19 H21 O8 N3	420.14014	420.14084	-0.04240645	420.14014	49498	44022	49146	52110	26721	28637	40985	50319	32764	0	23300	0	35141	13343	0	0	0	40556	48640	39193	55669	0	46325	53952	0	12095	0	19178	47163	0	0	39321	72425	0	54736	38803	44031	43513	0	56061	70852	26570	0	0	0	0	63332	0	0	45426	51942	0	29443	0	37541	20118	20654	60022	46244	48850	65080	47953	39686	33541	17897	42150	30523	62430	30983	32646	34629	42401	40743	36257	32749	0	0	37224	53269	33720	40242	33113	33790	29353	24151	19419	0	0	32459	110500	44199	0	0	39113	37340	0	0	56560	22778	21761	20409	39313	0	0	32188	53448	48332	0	41689	48332	Peptide	0.42105263	1.1052631	0.15789473
4	C19 H21 O8 N3	420.14014	420.1409	-0.04675382	420.14014	10003	10958	9227	9374	6022	3676	4224	9451	8367	9638	10456	6830	11122	5134	7766	11892	15084	9671	10994	10865	13271	18708	9340	11905	5617	2738	6014	0	6144	6554	9794	8719	8984	6265	14626	8407	11287	6524	20957	11794	15837	5796	0	0	0	11816	21759	0	10097	9358	12215	8776	6381	0	10599	7899	4969	9848	7325	12123	13057	8583	13676	10099	6983	9423	5510	14924	6196	4807	9436	7954	5936	8509	4829	7074	0	5566	9646	8163	7052	7210	5188	5147	9725	6444	8106	6411	7268	21089	4564	11171	20401	9500	7856	0	7842	11666	8324	9307	10090	9439	6907	11553	9704	12494	7155	0	6453	14086	Peptide	0.42105263	1.1052631	0.15789473
10	C19 H21 O8 N3	420.14014	420.14087	-0.044670142	420.14014	0	0	57352	0	0	26963	41332	67535	38908	63654	0	49635	45886	17069	53014	62915	66187	48758	55128	62954	74666	0	55911	76562	38771	12827	0	29667	59835	44869	0	0	0	0	76779	55929	77535	0	78903	82513	87952	34464	681	0	0	73541	0	0	61487	52758	0	64597	33835	0	49644	22571	23872	0	63370	132954	73394	57960	52485	37354	27781	46287	36656	91848	24613	35125	46789	57165	49749	0	49046	48649	0	0	67092	38407	50306	47642	41258	37239	35626	29191	0	37730	37937	0	52083	73812	0	57139	62023	0	69125	0	30086	31418	28264	0	0	69589	57994	70986	24344	0	0	67132	Peptide	0.42105263	1.1052631	0.15789473
0	C21 H25 O6 N1 S1	420.14752	420.14816	0.06783393	420.14755	3570	2818	3048	2482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25033	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1273	0	1996	2666	0	0	0	0	0	0	0	0	0	0	0	0	0	4041	0	0	0	0	0	11381	4950	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6266	0	0	0	0	0	0	0	0	3497	2591	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2857143	1.1904762	0.04761905
8	C17 H25 O11 N1	420.15002	420.15067	-0.08693873	420.15	31778	26489	21585	30036	28277	20921	13047	35593	42654	46974	34638	21211	61270	9701	31917	44765	38791	47069	52779	44858	60921	43139	38778	39951	16256	14221	20060	8292	23078	27905	23315	27551	34968	22289	52723	31659	31563	24520	34479	34277	44145	25725	766	0	0	37158	51644	0	30569	35640	35509	36023	28574	0	60988	48785	19634	26066	20067	23129	37457	25672	50308	47238	20561	30461	26312	35914	26757	20687	25491	23847	21476	28171	24711	29338	0	21941	28583	22648	20323	22584	19147	17283	44564	19858	26606	23903	30837	32923	0	29590	40575	32825	42488	0	30350	37535	29896	42420	48019	43309	21488	43334	15722	31598	39614	0	17251	56907	Unclassified	0.64705884	1.4705882	0.05882353
14	C17 H25 O11 N1	420.15002	420.15057	-0.12663233	420.15	128559	101961	101848	102749	127167	124958	41161	111535	252011	117635	89489	62132	358066	65709	127838	91295	81161	301048	264369	180889	249489	145898	152237	113406	61292	59612	47391	45178	115937	105150	69776	69113	126696	70433	218649	111970	91344	96117	51355	111684	132482	123325	2889	694	384	110237	110229	0	76803	96946	106826	75245	117532	385	553723	183260	78453	80900	146545	53051	99364	161048	291228	276182	72250	157666	115047	52158	100858	119834	112010	69771	64149	91471	71372	64526	0	90664	95132	95389	81872	79633	46136	66347	162999	103171	80385	66382	87753	61047	75831	90730	126964	105206	113039	983	101422	150491	138560	107489	127620	152484	72549	112251	131230	72482	154328	369	33403	276701	Unclassified	0.64705884	1.4705882	0.05882353
10	C16 H25 O10 N3	420.1613	420.162	0.17450468	420.16135	1417	4171	0	2356	1237	1280	3205	1988	1012	2963	10639	1348	1184	0	2685	4089	1793	1885	1770	2256	3095	4263	2822	3681	1467	0	1909	25875	3423	4760	6368	6443	3458	4796	4537	4843	7424	0	1232	1815	3250	3533	0	0	0	0	0	0	0	4304	1938	2425	2199	0	2011	1347	1111	5332	0	0	0	1616	1213	854	845	0	1515	3226	0	0	0	2285	4445	2999	5257	4374	0	3952	2296	0	1442	1098	1944	0	0	1440	4535	1236	1325	4435	0	3327	0	2669	0	0	3674	2725	0	1637	0	4164	1938	0	0	5352	0	0	2811	1455	A-Sugar	0.625	1.5625	0.1875
12	C21 H25 O8 N1	420.16528	420.1659	-0.073899195	420.16525	161996	164673	156641	155423	91267	90690	114968	170196	104674	373098	208898	90682	119562	61834	108033	138841	120611	134471	149987	416676	418293	285708	119098	177202	95313	251671	85226	184658	138511	112360	131434	132397	177671	119703	513588	129952	123865	100925	151736	688446	305294	75020	2117	0	339	228131	234964	475	140081	140276	171563	162110	87149	343	143204	72796	58723	171212	132757	128329	138156	206713	154669	105270	41860	121689	90930	130660	268192	434370	384839	133925	124384	134626	96980	115674	258	96634	114047	126894	103520	140669	126487	187651	91919	58968	114815	77779	85700	182801	154195	189550	207439	171519	201188	763	163284	161138	83907	76251	72769	145636	85474	173795	126973	133716	76095	0	99673	140104	Phytochemical	0.3809524	1.1904762	0.04761905
6	C21 H25 O8 N1	420.16528	420.16595	-0.07653999	420.16525	89500	83970	43025	96114	26176	30478	20375	83302	38144	132724	56078	44476	45071	14408	25861	44303	27331	39321	49386	203220	244970	157630	27052	77238	19312	43384	15486	47384	30699	25918	32372	68488	87864	29603	291922	33236	35535	45894	34865	62813	155954	20167	0	0	0	59035	70805	0	41327	33151	96108	82766	23379	0	42753	25084	15195	39269	22751	60994	38018	52670	45010	37245	14940	34530	27294	35052	52232	75901	99132	33419	29719	29859	15411	26685	0	39404	26746	33759	22416	29277	42378	35866	28515	20225	31401	19455	22580	102308	36699	45777	55227	111610	84157	0	42892	82058	20405	25924	28319	41126	19478	47100	34543	66308	26842	0	41960	44717	Phytochemical	0.3809524	1.1904762	0.04761905
14	C21 H25 O8 N1	420.16528	420.16583	-0.06997503	420.16525	238199	245645	246477	238056	131236	118745	146077	235872	159717	552922	296758	124906	169274	92049	159530	215447	171569	192202	216203	581981	587959	375212	165628	243745	157350	428519	113639	279545	196344	185819	175441	205564	228341	166987	658064	192687	207412	136344	176239	460305	378088	121002	6181	558	469	289387	294898	560	203181	192316	245405	207862	118814	756	196475	105294	86216	226102	241587	180604	227493	294593	192095	157399	83497	162120	124522	164083	411183	593896	497784	193717	170429	186727	148881	183018	0	134079	160207	216756	140677	206152	174027	257760	141107	87527	164051	122172	130553	240264	213022	258199	313045	224433	339075	1174	231742	249703	104564	113995	111978	231280	125760	285252	239139	186134	113545	417	132047	191135	Phytochemical	0.3809524	1.1904762	0.04761905
8	C21 H25 O8 N1	420.16528	420.16592	-0.0925093	420.16525	87548	164687	138858	167900	48390	39008	38021	81051	60588	234338	110576	43577	83275	25939	99926	149155	105558	55478	84616	421478	443248	156693	107334	76216	40216	80876	43281	79362	60159	113102	58667	74449	75159	55298	620352	126679	154488	41200	134506	301396	273951	39872	735	0	0	110657	230340	0	75139	110808	160562	93041	43172	0	71114	38149	27386	72233	46201	112555	64149	95666	76289	75013	25880	61770	49779	126352	106392	152764	174741	60722	61930	54314	44181	63970	0	42348	58403	71819	90394	108492	88788	164367	41958	26350	107156	36898	41832	98266	54888	87993	111975	93774	290936	0	87976	88510	42615	49435	42571	137750	44597	97068	42817	67115	39080	0	47098	69652	Phytochemical	0.3809524	1.1904762	0.04761905
4	C21 H25 O8 N1	420.16528	420.16605	-0.08665916	420.16525	13275	14181	12869	12734	9240	11969	6038	13430	12091	29326	17558	7285	18709	6268	10480	12596	11436	12815	13516	24852	34646	22793	10804	13690	6495	14984	7027	11123	8837	8714	8408	8978	11224	10973	40654	10954	11787	8406	14568	19771	23115	6962	0	0	0	18750	24706	0	10291	11546	15848	12424	7973	0	18353	9574	6062	9316	6964	10540	11817	13523	13543	11451	4377	15592	7195	11981	19649	17377	25764	9664	8770	9569	5790	9111	0	7246	10685	14914	10018	10402	8637	11277	12116	7539	10142	7601	8015	29620	10062	13982	37924	15631	21625	0	12471	13380	10101	12297	12293	10128	7217	15499	12918	8115	9612	0	6410	15027	Phytochemical	0.3809524	1.1904762	0.04761905
10	C21 H25 O8 N1	420.16528	420.16586	-0.082045816	420.16525	254892	230400	120897	113163	64882	62970	63326	109939	74482	666266	156441	63404	84964	53049	73901	103183	66550	93477	112491	602116	644454	399448	157250	114951	63605	162862	59722	118210	190232	89234	88560	91493	234580	81569	391398	91745	105079	61641	91844	473578	375914	59397	1779	0	0	166273	155882	0	103373	91755	122796	238182	58888	0	101725	51948	36633	109857	83055	84391	112152	131919	94154	83628	38196	85036	64293	191634	160422	275867	249025	190832	82849	76359	68079	80188	0	126026	83105	89853	142140	191698	71078	114505	63841	46023	82991	54805	59819	110159	106530	127468	311868	115717	390802	652	246294	238176	56671	54822	54960	102371	58275	128980	93947	83720	48597	0	67804	108093	Phytochemical	0.3809524	1.1904762	0.04761905
22	C21 H25 O8 N1	420.16528	420.1658	-0.0980705	420.16525	65958	58790	56086	56838	0	50678	20902	46790	59022	156142	83382	25184	62318	32458	35551	45471	27286	89124	56325	130783	138964	85094	41615	53820	34392	141798	18213	75968	44951	29522	35806	38652	41769	0	156024	35088	45545	26168	29330	111929	81661	39893	2337	0	1156	96916	90993	0	39736	35855	61385	59407	46791	935	64718	53163	26862	46671	34092	24553	45004	87078	83946	59583	25086	61554	42874	28177	135266	164037	157696	42194	34508	27707	20906	29899	699	28892	46412	49991	45118	58914	30416	68022	68326	38229	41862	38668	44519	40461	49925	64773	63086	62327	108459	0	58181	61131	43018	43529	46179	45365	24601	53120	60961	48441	50789	0	30775	86343	Phytochemical	0.3809524	1.1904762	0.04761905
26	C21 H25 O8 N1	420.16528	420.16565	-0.1774367	420.16522	6627	10033	8398	7204	9399	6029	1843	0	9118	23931	10945	3620	11357	3837	6853	5113	0	13777	10354	15771	23862	12273	6817	7935	0	17635	2833	6522	0	0	4347	5415	5650	6824	18098	0	6065	4581	3329	15090	15993	0	0	0	0	10017	13433	0	7341	0	9521	11206	4659	0	8702	6095	3005	7248	5116	4463	7734	8159	11703	6619	2614	8638	4771	3895	23135	33260	36035	8104	6420	0	0	4599	0	3166	6279	5279	5762	6476	3468	9454	11759	0	5255	5549	3972	5948	4829	5800	7161	7766	14566	0	7885	9826	5460	3924	7031	6510	3587	5814	7002	5849	0	0	5058	12975	Phytochemical	0.3809524	1.1904762	0.04761905
28	C21 H25 O8 N1	420.16528	420.16577	-0.1179538	420.16525	5074	4893	5740	4238	5954	3606	1559	4198	3590	16030	5317	3008	7776	2643	4112	4961	3654	5756	6252	9846	13340	6771	3461	6111	2794	14039	995	7214	3990	3593	3291	3773	4072	2733	14104	2463	3514	3020	4068	7674	7856	3834	0	0	0	4913	4925	0	5579	5216	5114	5637	3723	0	6825	3453	2855	5609	1904	1990	4812	5116	5548	3990	972	5854	4406	3807	11886	20192	21061	4130	3923	2436	3759	2827	0	2796	4982	4245	2857	3518	3351	3354	5871	3087	3764	1524	3165	3779	4205	6331	6319	4194	8997	0	8073	7445	2740	3134	3263	2936	2713	5276	3380	4192	1928	0	2288	7728	Phytochemical	0.3809524	1.1904762	0.04761905
16	C21 H25 O8 N1	420.16528	420.16586	-0.052669555	420.16528	259214	285194	250808	282171	169980	145853	136773	250462	187696	716952	323469	145411	228491	108310	170447	243356	163336	261048	278394	712337	665763	398112	193140	281920	184601	520527	123692	298254	217575	220843	205911	240970	256469	192852	785971	214537	250283	143111	180739	532907	380125	136239	5604	649	828	328996	303229	794	255687	217919	274145	263108	154890	1492	204327	151056	108024	238181	224018	154509	267702	331896	226395	165508	84885	213532	170826	164680	461082	745931	612944	236673	216145	216958	168566	208976	719	147024	192607	237983	144757	228511	174317	319792	173569	113785	179300	136655	164800	226147	272605	301057	404039	254906	420617	1821	268352	288559	132417	113893	125089	253966	129436	263939	195217	254576	140476	1090	170609	243061	Phytochemical	0.3809524	1.1904762	0.04761905
20	C21 H25 O8 N1	420.16528	420.16577	-0.08924682	420.16525	331278	291022	314494	269488	250882	216970	117880	235284	257477	823170	408044	126448	394200	171928	155430	242806	133242	339120	377462	745386	735088	470004	214992	288342	200164	723352	117564	356348	209316	169154	176578	208338	257933	218568	866314	175158	290624	150838	170384	584318	446102	171412	0	2580	2130	411024	385688	2250	193856	178606	300440	311916	207354	1776	272380	219042	124316	215232	201019	153238	246962	374736	338778	241888	115320	277060	212478	147354	610906	826836	796134	205122	203014	165692	119538	179142	1888	159498	222714	279038	155374	229208	164346	393918	259814	159012	202230	171617	173798	191940	294020	342546	344286	315429	456506	3072	302980	372448	185444	203580	207986	247486	118746	277090	296986	226690	211888	2916	172700	363956	Phytochemical	0.3809524	1.1904762	0.04761905
14	C20 H25 O7 N3	420.1765	420.1771	-0.06425246	420.1765	50716	51574	0	45346	18657	0	43417	63842	24819	39146	15547	27607	17666	11578	49214	55783	53225	29078	34801	41786	35227	80005	47584	83846	0	12173	35074	26375	56092	50589	47985	69583	68718	50852	37984	54810	0	37495	0	43830	51078	25065	0	0	0	47410	36992	0	63033	44282	41290	45341	27655	0	22226	10003	18943	76017	77457	34934	63775	0	20723	19973	18296	21093	27736	45883	0	24454	16136	48158	42040	45317	80520	0	0	40835	46356	31312	39855	32656	47245	27469	13212	15980	0	32904	0	87385	70315	0	0	29375	47403	0	0	45654	14530	11130	10537	57704	32345	0	30070	66148	17489	0	45695	24650	Peptide	0.35	1.25	0.15
12	C20 H25 O7 N3	420.1765	420.17706	-0.13294001	420.17648	66397	0	67350	73525	24679	30449	80236	0	0	63749	38070	0	22605	0	0	69962	79010	40509	0	0	59907	115009	134888	85213	72771	14982	43266	25999	0	0	75645	77693	90727	0	0	73664	78091	0	87137	0	83629	35889	0	0	0	89104	79325	0	0	0	74948	0	34738	0	29159	0	26112	0	91628	79228	80413	59640	25798	0	20322	30766	41476	93914	0	41323	23548	0	66354	70300	0	67925	0	0	65071	32999	52339	48175	0	48779	19994	0	0	34863	42443	135614	83100	0	137176	62920	58420	0	0	73098	22483	15877	13233	0	52730	80490	42797	0	20395	0	0	44474	Peptide	0.35	1.25	0.15
2	C20 H25 O7 N3	420.1765	420.17728	-0.10433487	420.17648	9835	9620	7187	8059	4674	0	10321	13948	6478	7267	6783	10671	6998	2913	10769	4109	15893	8543	9643	8010	14493	14162	13215	11062	5487	2128	1862	5966	13134	7508	11570	11256	16873	9834	13805	8283	12034	10464	20484	11159	19209	7725	0	0	0	7497	12095	0	10207	7687	10046	10918	7608	0	8701	3629	4397	12374	7604	10824	5148	6777	7461	7946	4236	8389	8362	21985	3979	5245	8397	10981	11658	0	2817	9459	0	8496	12199	5898	11755	6566	8003	5844	4381	5229	13149	9744	8188	32003	7315	15494	26602	11425	2741	0	11945	11733	4057	4990	5820	10557	8746	10521	7043	12886	4379	0	10881	7072	Peptide	0.35	1.25	0.15
22	C25 H25 O5 N1	420.18054	420.18115	-0.09877397	420.1805	2095	1969	0	0	1331	0	0	0	1322	2521	5998	0	0	0	0	0	0	0	0	3387	2793	1529	0	4052	0	20104	0	6424	0	1126	0	0	0	0	0	1904	0	0	0	3731	7894	1160	0	0	0	3409	5276	0	0	0	0	1461	0	0	0	0	1266	0	0	2150	1348	2439	0	1294	0	0	2416	1632	14487	9941	16995	0	0	0	1220	0	0	0	2383	3311	0	2855	1169	4470	1590	0	1884	2059	0	3766	1897	0	3759	2291	0	0	2072	1673	0	0	0	0	0	2215	2830	2136	0	0	0	0	Phytochemical	0.2	1.0	0.04
28	C22 H29 O5 N1 S1	420.18393	420.18433	-0.15271826	420.18387	20641	22370	18692	18605	862	3428	12655	40013	0	15037	7478	27479	0	0	17030	45511	32037	3586	4485	20754	14531	17725	21654	40173	12967	0	14783	4531	27490	26926	34249	30155	28851	32582	16336	29496	24806	16471	37103	14610	29207	8539	0	0	0	22457	28256	0	30577	34506	19424	20661	4197	0	0	0	2246	33083	21967	34666	25212	11874	0	1181	4250	2421	8243	32269	0	1492	2602	32181	38200	37917	42539	30295	0	22973	14663	14846	20857	12232	24805	12533	0	2874	10171	8629	11076	30563	15541	18686	34549	14502	34230	0	23178	20598	0	1919	0	27670	21578	34986	13274	36771	0	0	17493	0	Organosulfur	0.22727273	1.3181819	0.045454547
10	C18 H29 O10 N1	420.18643	420.18695	-0.23945904	420.1863	28147	34985	36371	26982	18197	16029	31119	49772	27434	46184	24283	27518	40962	8621	41727	43469	35639	38716	33217	58168	51067	44872	40784	50905	34147	22686	18390	0	42378	41427	27522	28779	40601	35989	47715	49837	48931	28021	25687	40148	15274	23499	1003	0	0	29530	23826	0	38362	44066	35498	32580	20013	0	50939	29127	16337	44092	43604	18653	55310	25121	30326	30621	16532	33870	16475	32735	17668	33189	30345	29778	41433	42625	29463	32346	0	30372	39561	15302	26276	24941	29274	20929	39698	26982	31710	19511	18323	33949	25265	25457	43749	23468	37276	0	27735	48390	23969	25832	34952	39719	25097	51325	15365	35998	29255	0	20649	34723	Lipid	0.5555556	1.6111112	0.055555556
14	C18 H29 O10 N1	420.18643	420.18692	-0.19391984	420.18634	64750	77150	63083	70608	62385	65181	62537	106637	122222	75199	59267	43474	166194	36657	112898	99525	61736	138445	124706	116392	108821	67696	118928	120681	98057	45480	39962	40944	113959	92367	60719	67129	112017	72962	133710	106202	86016	75277	43877	66973	45373	73133	0	0	0	73743	37789	0	73495	84505	64167	69718	68321	407	272654	98135	46214	84876	137643	29171	109924	65434	121046	127807	50194	93815	76284	35563	28763	76749	44348	66380	62018	115533	64800	58523	0	66733	96304	46521	76776	51264	50069	28652	98723	81218	77343	57146	55206	33539	78215	82886	119051	46132	80317	745	61784	105132	73089	68824	83458	126751	52359	98514	47666	55383	84812	342	56413	129303	Lipid	0.5555556	1.6111112	0.055555556
8	C18 H29 O10 N1	420.18643	420.18704	-0.18765174	420.18634	21525	22191	11587	23174	11358	11843	12209	19280	13241	29412	18416	17694	17952	4136	16887	17093	18816	16875	18226	40506	28143	30803	22842	30593	18049	6748	15188	13243	21750	21486	23047	17718	27417	19522	35128	29154	20815	17994	19856	20118	20297	17024	0	0	0	25431	25889	0	30380	29171	21774	25314	9458	0	20477	14655	7891	25220	15465	8525	21267	14461	18932	20558	7884	17601	8412	19583	17062	16247	11980	25425	22218	24346	15127	21655	0	16825	21086	10273	19097	12853	14955	8099	20276	12649	21440	7244	8429	21675	0	15240	35848	15471	17311	0	20327	30320	11746	17302	19942	22121	11547	31534	0	19474	14557	0	15365	15422	Lipid	0.5555556	1.6111112	0.055555556
12	C18 H29 O10 N1	420.18643	420.18695	-0.17432301	420.18634	35001	30370	50903	42777	33609	37274	43480	91018	58094	48505	21018	36063	77051	22463	74331	47870	55789	75447	84985	88151	77940	58183	81912	53373	66942	27803	21308	18987	79404	48912	57500	50800	70253	39847	87663	58884	46640	53969	44135	56166	40095	38550	1726	0	0	54431	32782	0	38992	48887	47189	34736	35137	224	121611	54794	34716	48519	66433	35894	56617	40768	74117	67512	25807	53884	40336	46569	0	52602	43420	47021	47072	61543	35191	43622	0	56271	60975	26327	64086	37700	42206	33624	61946	46105	58027	24844	42796	43477	39631	59027	89821	28334	32232	0	44962	67440	42239	43006	55939	59766	41257	34942	36459	40647	51228	0	42811	72030	Lipid	0.5555556	1.6111112	0.055555556
4	C22 H29 O7 N1	420.2017	420.2024	-0.13428576	420.20163	14569	14796	15749	16670	4971	6185	11798	26603	5682	19837	9592	13532	7329	2980	15902	22178	17902	7545	10683	22433	26331	21822	15573	24755	13791	13153	14422	9557	21952	17117	18676	18778	18946	16393	28449	20416	19131	12178	22170	19897	18906	9244	0	0	0	18264	18608	0	21373	21468	15677	12428	7004	0	10094	4442	4416	19965	5615	7858	20739	13566	5247	7294	2072	6490	8784	21977	11308	17056	16008	15277	18134	21800	13820	16122	0	14393	14075	14243	12786	7860	10439	12285	5603	5000	13660	7059	7448	16571	21329	21433	24918	13514	22076	0	14648	18603	3780	4909	4741	19717	12127	29321	10574	15321	3837	0	11360	7860	Phytochemical	0.3181818	1.3181819	0.045454547
26	C22 H29 O7 N1	420.2017	420.20215	-0.13973534	420.20163	12091	12942	11950	16906	14277	9835	3544	13620	13720	18789	12963	9187	18866	7219	7133	17669	11056	15505	22092	27335	34236	14008	7277	13983	6941	46651	3220	15452	10169	11564	10468	7148	12591	15672	26971	16974	12326	4318	11621	19306	20183	7166	0	0	0	16406	16150	0	14029	10695	16205	13193	10848	0	14181	8885	5567	15201	5020	6860	14704	12071	15798	11602	2649	11899	9985	12248	37587	51831	58373	17438	15932	9736	6767	9107	0	7022	11985	10697	10636	8479	8800	16337	15053	0	8716	11023	7863	11294	10734	14235	19876	8181	13226	0	14097	19616	8112	10142	14206	13708	4872	10249	7175	10396	8762	0	8375	21408	Phytochemical	0.3181818	1.3181819	0.045454547
14	C22 H29 O7 N1	420.2017	420.2022	-0.14409378	420.20163	129682	119226	117503	124530	64996	74873	87544	146618	71531	161077	100381	81129	77654	48464	83166	145254	139730	81675	105807	250530	234268	158802	92791	161722	95509	211649	88577	115908	126973	125696	106025	151536	146850	100416	195507	124968	136352	88686	144364	154219	165777	85008	0	0	0	120311	130273	514	121242	127249	112963	119367	66912	322	83969	50989	48453	153863	93275	120597	167643	96249	68787	68156	43231	83378	84566	131250	192564	255724	234823	99076	109560	118235	121492	106140	0	81966	96871	85804	85423	68951	90629	106031	74458	53043	101874	70504	80537	202242	148130	126407	207189	88289	129451	654	124766	126713	55526	48373	60886	141052	79230	158268	80322	118535	50541	0	95180	74528	Phytochemical	0.3181818	1.3181819	0.045454547
12	C22 H29 O7 N1	420.2017	420.20224	-0.17087607	420.2016	72204	79182	86542	93226	35762	34503	68349	104223	45653	127997	75414	52205	43683	24628	55256	97644	88064	50398	66189	179202	167562	121456	67832	102639	58428	116423	53625	84422	87838	67923	78666	74252	101375	71326	182723	78855	87472	59245	88151	116725	125307	43584	962	0	0	95135	90686	0	86363	80328	81039	72419	41989	577	53449	27336	25959	95824	43028	67457	60673	69254	48842	41963	18781	45065	41933	92032	99348	174231	160655	71878	68321	73698	66053	67810	214	59007	71993	53483	56241	49838	49854	69332	41799	29384	66242	34252	39985	144972	100821	82522	130561	70524	90822	513	85841	83454	31894	27578	29594	78849	56553	93145	54117	81490	34807	0	67906	51289	Phytochemical	0.3181818	1.3181819	0.045454547
24	C22 H29 O7 N1	420.2017	420.2021	-0.12533936	420.20163	52868	48608	55212	51280	58189	37542	16036	38562	44425	110166	67749	21343	80004	27564	29457	40165	29496	55574	75153	104799	109956	53866	34548	51226	30835	123208	15802	62666	40889	36988	33918	34172	42651	39291	119210	36720	48207	24139	26534	84276	78002	31485	3190	0	0	52996	52543	0	41946	32228	50507	47610	39690	0	53442	43399	24029	47759	28549	24854	48502	55834	63154	43505	23143	62333	33595	31330	111338	159748	148850	42796	36306	29273	22409	30536	0	0	36708	38194	27736	31243	26043	53314	56139	30876	39738	34232	38330	33102	51229	53807	67908	38849	68406	0	51470	59401	34953	43302	52920	46961	24342	41956	33002	42829	36342	0	25256	71380	Phytochemical	0.3181818	1.3181819	0.045454547
22	C22 H29 O7 N1	420.2017	420.2021	-0.09738391	420.20163	152930	152641	138806	141761	133795	106430	60715	137407	125515	292209	179956	74866	148023	79206	102608	131916	93276	167353	162947	347849	343913	171884	108737	160940	103753	333644	63865	159721	124228	106013	109097	115713	145042	136506	299628	122449	150363	75075	101095	216513	181317	91190	4851	0	929	179086	144002	0	126539	115027	151309	138232	111668	1510	129552	106147	61307	140176	95446	77296	145560	154210	143332	112330	67464	133260	120709	93415	290549	441240	373163	140340	112405	103837	80055	104892	644	90628	120243	91830	97362	96068	81698	138794	133649	85922	114267	89214	94833	118734	163008	191378	203970	117560	192889	0	129868	161112	87225	107518	106170	153551	70065	152627	100637	137369	101932	0	86349	163901	Phytochemical	0.3181818	1.3181819	0.045454547
8	C22 H29 O7 N1	420.2017	420.2023	-0.14872283	420.20163	59697	66231	49726	60901	23714	24830	34198	65809	25174	123590	56615	33883	30700	15457	39746	64384	43449	31883	45075	139814	120976	83581	44934	73440	36483	54114	31923	45658	57777	54007	56059	70334	63513	52041	150608	54820	75788	32901	58298	86643	63524	24497	0	0	0	65216	53040	0	69583	54001	62672	64023	23482	0	39508	15944	16138	54948	15674	24931	67787	44092	27966	30886	18489	32766	26180	52906	50452	113454	91541	55301	50007	51611	43135	52620	0	35485	44512	45872	32831	21286	21059	49074	20918	16417	35586	25559	33662	66832	75006	56898	85924	51646	88441	0	58069	64929	20732	16997	17946	63799	32201	83336	28151	52998	16135	0	36939	36663	Phytochemical	0.3181818	1.3181819	0.045454547
10	C21 H29 O6 N3	420.21292	420.21347	-0.14316967	420.21286	19327	19815	21334	18334	7198	8419	15461	27043	3887	22561	11648	10825	3388	3739	15309	24556	15184	10137	10670	26418	18417	29329	12314	30984	19728	8103	11265	29233	20914	0	19083	24579	29094	18429	20529	21890	21456	10656	16833	26739	14939	6882	0	0	0	19447	12311	0	0	20358	19479	23235	8176	0	9681	1935	4243	0	7820	7011	18564	11281	5138	5028	4309	9341	7098	22093	0	17189	11858	22045	20255	0	9431	16157	0	13637	13056	19776	12043	7050	10599	14135	2020	3869	14233	8008	9375	27457	288973	146160	40820	16324	24373	0	21629	21566	4276	2235	3927	23583	11665	23624	0	21311	5615	0	0	7526	Peptide	0.2857143	1.3809524	0.14285715
8	C21 H29 O6 N3	420.21292	420.2135	-0.17864078	420.21283	21264	22324	17833	19927	6151	9895	16379	25042	6943	15342	8209	13095	6895	3238	17808	23593	17978	8454	14700	25380	21598	26112	16381	29681	20035	5906	11853	15713	0	0	19472	20966	24537	18545	22614	20231	25163	15329	18665	27421	17488	9219	0	0	0	16673	15726	0	26609	18098	16453	20778	7895	0	7746	2782	8050	24958	4428	9907	19956	11776	6886	10070	5631	7918	12230	22533	4201	15580	8524	21007	14419	18799	14687	17824	0	13815	19218	22175	13171	8844	10499	12901	3873	6415	16976	10461	11331	28020	68562	49584	53411	16104	23981	0	24165	17371	3259	2037	4271	22070	9145	31508	0	23520	3837	0	17830	6858	Peptide	0.2857143	1.3809524	0.14285715
16	C19 H33 O9 N1	420.2228	420.22327	-0.21459131	420.22272	25398	21336	34934	35978	15570	16602	41172	45116	29624	14599	7174	20606	40522	18840	59608	31522	19322	38112	52670	18196	0	10148	37230	38948	36374	5726	27200	12178	56898	44163	38236	35534	46530	29022	9154	46660	50820	34648	19272	9424	8354	26188	1942	0	0	12824	5952	0	43168	31794	34808	32832	25892	454	45358	30454	17478	34032	19190	13552	45890	9732	24812	24792	27568	41114	26470	17654	0	9214	5802	25978	31330	51928	28297	27370	0	26778	29272	12284	21696	6028	53116	18482	28414	35566	35215	11358	25370	0	22790	24156	0	5534	1944	0	21180	26704	18336	21540	38864	55084	22260	28912	11916	31110	31986	0	34786	28452	Lipid	0.47368422	1.7368422	0.05263158
12	C28 H30 O1 N1 Na1	420.2298	420.23026	0.25158137	420.2299	2757	0	1936	0	0	0	0	11744	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1163	0	0	0	17843	16836	15709	13309	10602	13543	0	21384	28682	0	0	0	0	0	407	0	0	0	0	0	9850	5923	2435	1757	0	0	0	0	0	2362	0	0	0	0	0	0	0	0	0	0	0	0	0	20894	16278	46136	0	13133	0	10307	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7369	2100	0	0	10930	0	0	0	0	Phytochemical	0.035714287	1.0714285	0.035714287
8	C23 H33 O6 N1	420.23807	420.23868	-0.1488974	420.238	33065	36045	26126	30500	6389	9918	26761	53591	4609	29681	18902	25959	4848	2617	32422	46565	25431	7045	13250	58623	36908	32000	24938	47487	33618	18208	26670	17163	49480	45276	41186	59162	56996	38215	41012	55594	57754	25209	33454	36007	14598	12994	0	0	0	31420	22894	0	57110	45993	33607	33306	8155	0	5210	2465	7701	45881	1631	1775	42395	12853	3144	5613	8433	7551	13203	39523	9930	28360	20083	42306	41805	58663	42891	41272	0	32718	19398	22932	18184	3788	6389	18377	3395	4733	25920	11447	14388	56511	40665	20826	69353	20509	41261	0	36406	35298	2783	2202	1964	55250	26178	51887	9714	52931	2323	0	27218	4231	Lipid	0.26086956	1.4347826	0.04347826
14	C23 H33 O6 N1	420.23807	420.2386	-0.14760198	420.238	23472	25188	24046	23632	10508	8908	22511	28950	5995	25799	16920	19676	7706	8148	24182	31313	29394	10204	18183	43056	38029	23560	21772	27095	23449	36421	18756	24508	25292	30628	23705	34792	40694	24542	35393	33531	35316	13334	29339	26032	20206	12606	0	0	0	20616	21357	0	30091	28715	19812	25318	8430	0	6128	6359	8173	32729	0	13512	26411	13824	8832	5370	6434	6836	13831	33036	20105	41626	34135	26132	25645	37063	28362	27242	0	20812	17017	14655	13400	6403	9225	16414	7468	7311	17463	9303	15399	56691	40031	18895	51513	14918	23355	0	25793	24542	6584	7500	8569	32965	17207	30677	0	28781	6851	0	21753	7087	Lipid	0.26086956	1.4347826	0.04347826
6	C23 H33 O6 N1	420.23807	420.2387	-0.16604248	420.238	18970	21915	18952	20326	2282	4470	22685	39073	3022	25396	9611	19874	2734	1350	19560	39044	28156	4103	6554	30745	26293	19041	18055	38875	21937	7527	22290	10364	39065	34731	33147	38908	42330	41906	19927	40265	40925	18680	29609	15285	9411	6559	0	0	0	16600	14160	0	49673	33786	20120	22328	4097	0	3825	966	3506	38519	0	579	38900	8531	1510	2090	2978	2459	7832	35515	6269	14285	14025	31550	35560	43305	34117	30575	0	21156	16154	11732	15421	3513	4399	10832	2039	4526	17235	6351	8693	38165	23637	12985	44978	13887	22188	0	21868	23298	1507	1169	1965	43248	19169	27966	0	42834	1183	0	20064	1296	Lipid	0.26086956	1.4347826	0.04347826
26	C23 H33 O6 N1	420.23807	420.23856	-0.13328364	420.238	30312	29611	27673	31444	37120	32377	10892	23527	28083	46823	34411	13701	41176	33839	16229	29943	19243	33778	50373	68997	61047	31744	14116	31548	23728	72104	12414	43070	26716	25656	22158	22275	32164	25721	62568	27841	33347	16090	18601	46966	36712	20973	0	0	0	28346	31682	0	25007	22593	29986	33306	29571	0	40312	38737	18138	27173	22353	14969	32174	32230	34622	27170	38325	43356	35870	21153	78711	88768	88067	28049	23579	23790	11921	23505	0	13265	22667	22712	15937	19542	22484	31159	35939	27250	33437	22284	20993	24267	34775	38076	39982	18955	27824	0	36289	37309	30469	32718	38471	36956	12094	36966	19620	23070	27511	0	22127	29580	Lipid	0.26086956	1.4347826	0.04347826
12	C23 H33 O6 N1	420.23807	420.23862	-0.12538397	420.238	24830	24291	36479	24838	8893	8674	25335	43964	5624	35752	20062	21074	6100	6137	25987	38558	27822	11122	16302	56062	47110	27496	23482	34114	22833	27393	23289	22467	41826	31617	43310	44188	53209	32639	56614	39831	37222	25872	32915	37504	17179	12448	393	0	0	23157	12924	0	48078	33658	25322	27831	10787	0	5343	2010	7292	45051	0	0	23288	12164	5191	6379	6610	9225	17126	34748	0	43233	35919	42154	36957	40455	25394	32680	0	29275	17886	16631	21390	3044	5734	21613	3111	4584	21462	11270	16151	62400	44532	19868	60474	19715	33322	0	25873	25910	6235	3667	3968	43595	22223	36636	0	41117	4461	0	22449	8833	Lipid	0.26086956	1.4347826	0.04347826
18	C23 H33 O6 N1	420.23807	420.2385	-0.20273295	420.23798	73982	70931	69400	68906	67787	42734	56391	76833	40061	80111	60633	53960	58541	36359	59785	111599	88418	69802	90764	110591	108390	76620	57795	94578	46638	157021	61013	61804	78269	72655	61997	79053	95584	74509	71201	85552	77867	48890	106010	72208	86367	52535	1085	302	0	55185	58911	0	79573	74776	72666	64564	59387	482	68449	53547	34478	84642	34987	63172	82276	51807	46301	40079	25713	54865	47274	102750	119918	140596	175476	63076	59728	73377	92785	79550	0	44900	75917	58706	54408	41450	48526	50976	68387	48258	83713	58176	45586	132888	101005	76383	121362	46197	77293	440	74800	76243	49559	55909	57592	99455	46460	88191	38314	80681	54721	0	63513	48689	Lipid	0.26086956	1.4347826	0.04347826
10	C23 H33 O6 N1	420.23807	420.23862	-0.13017955	420.238	45395	35309	32989	33802	8532	13452	26485	53030	5405	46133	22786	30474	7541	4654	34821	45112	28883	11029	18176	65740	51767	48366	31703	46184	40588	24865	28233	29137	51718	45955	44303	54064	65495	48095	60748	57121	61617	31835	34117	47443	15523	14151	573	0	0	32257	19845	0	54930	36278	33987	39150	10013	0	8742	4690	7848	53531	0	1890	45186	18069	7776	8008	8123	10319	19505	39041	20718	48085	32557	54043	49897	51151	31499	44577	0	34627	21219	18499	18406	4181	6182	20924	6858	7178	27632	14577	17187	51961	60089	25448	71379	21889	46019	0	32987	37088	3405	2899	4462	51232	30574	55346	0	49169	5088	0	23033	7931	Lipid	0.26086956	1.4347826	0.04347826
16	C23 H33 O6 N1	420.23807	420.23856	-0.19224541	420.23798	35426	39284	37248	34034	23901	21949	33637	46043	17677	40122	28709	28707	14776	13913	30142	53023	61593	19798	29686	56184	54695	36704	30465	54588	31680	54445	29608	26159	37428	39386	38861	41284	42125	35697	36851	49830	46743	23991	52284	34237	38832	22001	483	0	0	28612	36127	0	51698	41978	35682	40091	24029	0	17776	13032	13222	49135	10602	33883	46691	16009	18802	15565	12195	19489	18378	59379	45946	55775	64788	37196	36732	41203	50100	41398	0	27542	41578	33238	27878	16228	19826	25724	17323	12992	35432	20489	20846	93780	51304	40769	75819	23777	50471	0	41690	37336	14149	18655	24816	48532	24761	44244	11582	39972	19149	0	32575	17611	Lipid	0.26086956	1.4347826	0.04347826
18	C18 H37 O4 N5 S1	420.26392	420.26434	-0.19888787	420.26382	0	0	3481	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1796	0	358	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44713	7104	0	3446	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1969	0	0	0	0	0	0	29480	58312	0	0	0	0	0	Peptide	0.22222222	2.0555556	0.2777778
10	C24 H37 O5 N1	420.27444	420.27496	-0.10618715	420.2744	11023	8859	7791	7949	0	6338	7083	29274	0	5803	2131	11691	0	0	9099	17947	9103	0	0	6444	5161	3985	9036	10163	10824	0	9132	3607	19450	20653	18319	16148	18422	13349	8031	15368	16756	8064	8912	2675	0	3412	0	0	0	3678	1996	0	20921	20831	9028	8247	876	0	0	0	1033	18592	0	0	14821	0	0	0	963	0	3269	19314	0	2513	3233	16300	14102	16527	12179	11916	0	11163	3125	0	5714	0	0	4037	0	1035	11674	2225	3361	33092	20126	0	21584	5023	9248	0	8112	9268	0	0	0	13718	9271	8759	0	16014	0	0	7017	0	Lipid	0.20833333	1.5416666	0.041666668
26	C24 H37 O5 N1	420.27444	420.2749	-0.16741233	420.27438	32965	30589	33771	32942	42318	18419	22427	36674	27655	25426	39885	16035	29570	22822	23453	36994	30979	24242	47682	59696	55626	29289	16910	25829	34701	83356	16169	48473	43129	40535	30918	34808	41854	29949	40878	41240	39239	20215	32213	37273	41543	25507	0	0	0	40180	22759	0	33617	24734	38164	29774	32811	0	34004	24131	15559	44482	29170	23384	43884	27206	20126	25179	15019	33284	35065	35178	69684	64024	79099	22869	27040	39795	23803	32034	0	21685	31852	41409	15830	19043	27104	37405	34753	29198	61650	22718	26063	80241	49394	61733	48677	34044	29973	0	33965	36014	21980	33085	37753	54053	16317	44702	25197	33067	30714	0	31102	17449	Lipid	0.20833333	1.5416666	0.041666668
18	C24 H37 O5 N1	420.27444	420.2748	-0.1763932	420.27438	3858	4938	3439	3241	0	0	5646	4374	0	0	2820	3372	0	0	2835	17486	5204	0	2096	3826	0	3781	1477	8484	4182	2003	6155	3093	0	6880	4931	5091	5207	0	0	2828	5694	1418	7188	3316	0	1807	318	0	0	0	0	0	4855	4116	3762	3260	1471	0	0	0	0	22842	0	1907	12313	0	0	0	958	0	1599	11455	2487	2269	2735	5398	4178	4412	9472	8356	0	4491	5022	3125	2417	0	1272	1404	0	0	8273	2512	1260	54549	8859	0	27128	2858	4516	0	2536	4845	0	0	0	7231	3705	1640	0	12485	0	0	5322	0	Lipid	0.20833333	1.5416666	0.041666668
22	C24 H37 O5 N1	420.27444	420.27487	-0.2172882	420.27435	25541	25423	23746	32519	33738	14369	22395	25379	12685	17638	32449	22163	15365	14098	15768	39741	50165	21067	36425	36854	33161	21445	19839	20989	23788	59392	24630	32200	25098	31121	21927	29857	28294	23399	20172	36728	26814	18147	51210	26976	35739	19451	0	0	0	17991	22057	0	30943	30280	27282	26258	17176	442	23437	18657	12239	34819	13969	27198	39098	13429	12304	14290	12880	22361	21979	62011	45593	47421	56829	20975	23058	23337	36496	27992	0	16666	27475	24370	16162	11949	19081	17321	24933	17594	36230	20393	20713	76081	41512	39945	32270	21754	27399	0	21455	35297	15844	20259	23658	44348	17445	35563	12496	27983	20715	0	28071	16479	Lipid	0.20833333	1.5416666	0.041666668
12	C24 H37 O5 N1	420.27444	420.27493	-0.08571903	420.2744	4981	8119	5147	5531	0	3227	7689	26355	0	1558	0	10093	0	1066	8903	20277	12625	0	0	13520	6779	0	3791	8751	14326	3274	7687	0	10955	20193	22490	13606	18241	8885	5854	14945	11397	7045	7009	3211	0	1938	0	0	0	2336	0	0	17569	27855	6257	4865	2172	0	0	0	1749	18437	0	0	0	0	0	0	1019	0	2799	15693	0	4738	0	8725	11218	16631	13229	11545	0	9852	4841	0	5479	0	0	3099	0	802	11491	1416	2311	33200	18847	0	20053	2900	9701	0	8193	5794	0	0	0	9571	10127	5592	0	17395	0	0	4824	0	Lipid	0.20833333	1.5416666	0.041666668
8	C24 H37 O5 N1	420.27444	420.27505	-0.08496858	420.2744	7043	4103	4020	5368	0	806	5227	17640	0	3748	1154	7432	0	0	6547	11630	6217	0	0	9299	4669	2701	5432	10756	6446	523	5969	0	7113	10506	16288	9717	8809	7735	2853	13148	8639	4702	7096	2718	0	1830	0	0	0	1978	1279	0	15633	13758	5515	3730	0	0	0	0	858	8243	0	0	10763	0	0	0	0	0	1934	11644	0	1582	0	11283	8278	10335	10693	9579	0	8172	2678	0	3159	0	0	1868	0	0	6627	2403	2170	22274	0	0	17039	2025	5295	0	4522	4772	0	0	0	8318	4855	6763	0	10194	0	0	5547	0	Lipid	0.20833333	1.5416666	0.041666668
28	C24 H37 O5 N1	420.27444	420.27484	-0.18507883	420.27438	2546	2091	3546	2772	3275	3105	3649	3968	1185	0	4461	2167	0	2557	0	3044	3825	2590	5737	4279	0	2390	1903	3225	6833	10778	2653	6174	3299	3452	2138	9356	3964	2125	3862	3064	3356	3040	2835	7848	5105	0	0	0	0	2622	2146	0	3564	2592	3375	2403	6632	0	2726	2318	1741	3572	3248	2338	4760	2866	1143	3325	1590	8112	3532	7145	8653	3791	8976	2713	2447	3190	3653	3493	0	2152	9129	3911	1688	2512	2992	3213	2717	2554	23259	1010	1541	9248	6584	9029	3538	3327	2992	0	3349	2446	1501	3746	3278	6025	1841	3507	2662	3401	2765	0	6177	1390	Lipid	0.20833333	1.5416666	0.041666668
14	C24 H37 O5 N1	420.27444	420.27493	-0.112642825	420.2744	9012	3226	4808	8329	0	2365	9612	16276	0	2352	3481	8385	0	0	4538	12901	3790	0	0	5513	2137	0	3868	5003	11849	2215	14686	0	10009	15372	16058	13454	9531	8471	0	12483	12366	4664	3955	3180	0	4838	0	0	0	2318	0	0	14680	19597	5164	4716	1850	0	0	0	4347	18229	0	0	0	0	0	0	3037	0	2332	12303	0	3785	0	11265	8416	8674	12731	10393	0	6874	2202	0	4198	0	0	2092	0	2641	14588	2288	3006	31583	15720	0	16565	3098	5142	0	4418	3679	0	0	0	11475	6201	4699	0	10540	0	0	7621	0	Lipid	0.20833333	1.5416666	0.041666668
14	C25 H41 O4 N1	420.31082	420.31143	0.024850465	420.31085	1801	0	0	0	0	0	0	11720	0	0	0	4324	0	0	0	11814	0	0	0	0	0	0	0	0	3150	0	1802	0	0	9622	11660	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27584	0	0	0	0	0	0	0	2383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9897	0	2159	0	37283	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2264	0	0	0	0	0	0	0	0	0	6852	0	0	2175	0	0	0	0	Lipid	0.16	1.64	0.04
12	C25 H41 O4 N1	420.31082	420.31155	0.052282117	420.31085	0	0	0	0	0	0	0	11340	0	0	0	2251	0	0	0	3392	0	0	0	0	0	0	0	0	1594	0	0	0	1527	5035	11397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14788	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5587	0	1224	0	25860	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4439	0	0	2421	0	0	0	0	Lipid	0.16	1.64	0.04
24	C22 H45 O6 N1	420.33197	420.33243	-0.004148891	420.33197	1240	1058	0	1434	0	0	1357	3802	0	1453	5083	0	0	0	0	6317	0	0	0	7535	0	1254	0	0	1307	0	8243	16148	1527	0	0	1720	0	0	0	1456	0	0	0	2907	0	2496	0	0	0	2879	0	0	1713	0	1256	0	0	0	23953	0	0	4496	0	0	0	0	0	4387	0	0	25772	0	0	5552	0	0	0	1681	8070	0	0	0	0	0	0	0	929	0	1303	0	0	0	0	0	5354	0	0	0	0	0	1630	0	0	0	0	0	0	0	0	0	2479	0	1599	0	Lipid	0.27272728	2.0454545	0.045454547
28	C18 H12 O12	421.04016	421.04056	0.015289735	421.04016	4963	3952	5307	5510	18963	7750	2266	0	14138	0	1188	1105	33367	11172	0	0	0	23657	20926	0	0	2853	4531	1988	0	0	1234	0	0	0	1246	0	1556	0	2426	0	1349	1321	0	0	1100	0	0	0	0	0	0	2051	0	0	6331	4919	9294	0	19563	11823	4125	1466	0	0	2219	986	36489	15174	2718	19762	3521	0	0	0	1018	0	0	0	0	0	0	1373	7513	0	9204	0	0	0	21145	6885	5683	3137	3556	1699	0	1426	0	3912	3308	0	6339	3744	6860	15571	17092	2251	1013	0	0	0	12740	0	1281	31984	Phytochemical	0.6666667	0.6666667	0.0
20	C18 H12 O12	421.04016	421.04074	0.020199453	421.04016	3809	3675	3683	1972	13280	4577	0	0	8817	0	0	1115	26855	5679	2520	0	0	8294	10664	0	0	2605	3644	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2243	0	0	2706	2255	594	0	406	0	2700	1889	0	0	2468	0	8307	0	13633	17523	4825	0	0	896	0	1370	29975	14793	4650	13748	1915	0	0	0	1646	0	0	0	0	0	0	0	6153	3999	3518	0	0	0	20292	4763	3685	3642	2478	0	0	0	0	8297	3714	0	2741	4972	8421	26279	15015	0	0	0	0	0	8229	0	0	24144	Phytochemical	0.6666667	0.6666667	0.0
14	C18 H12 O12	421.04016	421.04086	0.032266382	421.04016	0	2878	0	0	10213	2590	0	0	12095	0	0	0	19003	0	0	0	0	4751	7121	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1864	0	0	0	0	0	421	0	0	1404	1949	2360	0	5224	13293	3882	0	0	0	0	0	23099	11617	3347	14943	1391	0	0	0	0	0	0	0	0	0	0	0	2064	0	0	0	0	0	12116	2763	0	1561	3094	0	0	0	0	3454	1490	0	3380	0	8300	21098	15951	2289	0	0	0	0	7359	0	0	18794	Phytochemical	0.6666667	0.6666667	0.0
24	C18 H12 O12	421.04016	421.0407	0.09823838	421.0402	4318	2745	3524	3124	11313	5245	0	0	9798	0	0	1049	26011	4290	1541	0	0	15170	9407	0	0	2676	2910	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2398	0	0	1457	1793	0	0	0	1111	1578	1933	0	0	3256	1163	4873	0	13020	12039	3385	1218	0	0	1128	1304	20695	10851	2351	11972	990	0	0	0	1724	0	0	0	0	0	0	1197	4803	1887	6904	0	0	0	18951	5029	1749	997	1464	0	0	1234	0	3350	2187	0	1278	3684	6106	9473	16415	1318	1686	0	1371	1045	8687	0	1087	19801	Phytochemical	0.6666667	0.6666667	0.0
22	C18 H12 O12	421.04016	421.04065	0.008794858	421.04016	1853	0	2599	2020	14593	7123	0	0	8056	0	0	0	24071	4583	2129	0	0	9627	7619	0	0	4525	3374	0	0	0	0	0	0	0	0	0	0	0	1401	0	1619	1163	0	0	0	2460	0	0	0	0	0	0	0	0	3624	2387	6000	245	10927	13921	2809	0	0	0	0	1190	19590	10613	3123	14572	2187	0	0	0	1850	0	0	0	0	0	551	1264	4824	1837	3583	0	0	0	11616	6086	3111	2691	4743	1578	0	0	0	4532	3534	0	2445	1532	6742	15973	20239	0	0	0	1773	0	10673	0	0	24902	Phytochemical	0.6666667	0.6666667	0.0
18	C18 H12 O12	421.04016	421.0408	0.15521415	421.04022	3108	3100	0	3979	17792	5807	0	0	15488	0	1794	1679	26439	4865	0	0	0	10514	8859	0	0	3179	2213	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1152	0	0	1916	2125	442	0	0	1834	2690	874	0	0	2639	6188	7535	0	10696	16886	4489	0	0	0	0	1657	33952	19025	3946	19162	2350	0	0	0	0	0	0	0	0	0	0	0	4435	2507	2327	0	0	0	16475	6028	0	2682	2386	1991	0	0	0	7861	1964	0	3099	3969	13676	24038	19730	0	0	0	0	0	12036	0	0	24990	Phytochemical	0.6666667	0.6666667	0.0
16	C18 H12 O12	421.04016	421.0407	0.051247597	421.04016	1974	3473	2159	3356	14971	2632	0	0	15770	0	1767	1107	19763	3318	0	0	0	6964	6614	0	0	4260	2520	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2747	0	0	0	0	0	425	0	0	0	2031	5623	0	8133	20639	4305	0	0	0	0	0	33206	15110	3898	16354	2287	0	0	0	0	0	0	0	0	0	0	0	2328	0	2548	1571	0	0	19441	3126	2817	3893	2619	0	0	0	0	7277	2515	0	0	0	11612	25973	19093	0	1126	0	0	0	12873	0	0	23795	Phytochemical	0.6666667	0.6666667	0.0
26	C18 H12 O12	421.04016	421.04065	-0.121555254	421.0401	5212	0	3060	3778	13535	8127	0	0	12839	0	0	0	28494	8280	0	0	0	16013	17468	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3859	2596	8464	0	14471	11499	0	0	0	0	0	0	34954	14146	3335	18167	4159	0	0	0	0	0	0	0	0	0	0	0	6724	0	6391	0	0	0	24510	0	3435	0	0	2639	0	0	0	3220	0	0	3626	0	5229	17050	13327	0	0	0	0	0	8281	0	0	27570	Phytochemical	0.6666667	0.6666667	0.0
10	C19 H16 O11	421.07654	421.07715	-0.010131558	421.07654	31990	30263	27446	27594	49234	19092	8381	9801	63040	46778	44101	14552	77614	16763	8753	10682	11399	47476	54382	26622	55946	53727	20941	10606	1502	3501	7414	9918	5499	5270	6085	5536	15650	4174	69409	0	10428	11761	12275	18315	37736	19289	994	0	0	15796	47602	0	5908	7275	29726	33251	31677	0	44689	52092	24200	13313	9694	14058	11151	20635	99288	60705	25916	68368	25716	12631	22252	9159	27644	6001	6883	3051	7313	4118	0	9333	28620	25279	24891	20988	3329	5931	71100	22999	17824	23157	23141	15976	0	9174	11386	63522	44966	0	25894	24681	62677	78630	64843	14814	10759	8261	23121	12830	50290	0	7633	87855	Phytochemical	0.57894737	0.84210527	0.0
12	C19 H16 O11	421.07654	421.07715	-0.02468663	421.07654	57954	60274	61108	62776	92985	39666	13618	12128	105423	89060	84371	23559	136130	24655	24665	24516	18916	94639	105589	61323	99571	142963	38976	22397	5048	7627	19122	20417	9959	7848	12391	12250	23387	13270	130822	9363	24747	27538	17610	41325	92647	33914	1251	0	0	48518	112217	0	13882	14529	59921	58014	57185	0	96071	94417	43346	24422	19809	25102	21544	45934	186339	89079	36098	112813	36619	23328	22704	20730	58637	14488	10570	5883	18597	11789	0	18063	44654	82751	43540	46953	9811	12975	107767	36855	39021	34430	35178	29227	17562	25798	27728	146834	81156	0	61340	70993	112070	121982	97549	24747	19863	18136	74841	16851	81129	0	9851	147584	Phytochemical	0.57894737	0.84210527	0.0
20	C19 H16 O11	421.07654	421.07706	0.013850119	421.07654	32927	25825	29177	25031	59312	37727	5285	7891	79588	34645	19011	10494	143935	39358	15386	6564	6153	90040	70483	17199	28498	54084	25880	6382	7082	7253	6339	5345	3008	4973	5763	3137	12109	4895	35526	2283	13078	13567	4573	24989	20766	17145	2357	722	841	26282	41358	2545	3642	3691	31507	34479	43115	943	84669	64248	24784	6207	11137	5171	8070	19427	120225	65722	27366	79194	25846	0	14758	7952	14852	3442	4557	0	3732	2041	948	9243	31400	38820	27403	29456	4740	0	79306	35264	27829	17385	23938	7259	7988	13514	10330	60197	47274	0	31723	29448	43815	74434	67326	10712	11309	5524	35024	8109	53505	0	8105	124127	Phytochemical	0.57894737	0.84210527	0.0
18	C19 H16 O11	421.07654	421.07706	-0.038718835	421.0765	60690	55333	49462	45506	102194	59731	12522	12741	112748	66198	45757	15825	210556	53245	29406	15951	15311	139582	125181	43809	62743	100959	35779	16946	11655	6461	14038	13269	13620	8437	10698	8821	26008	10170	83562	9482	27793	30689	8758	34826	41718	25393	3100	531	591	40508	75910	1894	15782	8874	50735	51062	67285	522	139183	104531	42582	19595	18915	12655	15946	36870	213915	118287	42150	132222	42253	11488	17611	14165	27230	9707	5531	2502	6487	6836	759	16150	46731	71677	43149	52251	9105	12097	121217	58424	49152	35725	41803	13142	18152	29852	23894	92067	80831	744	55910	50655	90479	106133	107688	20996	17492	17216	51426	20654	81906	417	15926	190754	Phytochemical	0.57894737	0.84210527	0.0
24	C19 H16 O11	421.07654	421.07703	0.05081177	421.07657	8874	10201	6576	9269	18528	11558	1579	2568	24483	11464	3224	2933	57471	11048	6150	1566	0	37156	21431	5734	6194	14604	6033	1852	3293	0	0	1799	0	1207	2186	0	0	1109	13336	0	2131	3635	0	5590	8091	3857	0	0	0	6553	8972	0	953	0	8957	10268	12291	0	35293	26973	6092	3017	2001	1175	1130	5634	50981	26167	6330	24198	5019	0	4889	4414	4688	0	0	0	0	1189	0	1318	8269	10746	9354	5719	1642	3737	32523	11986	8684	3445	4587	0	0	5323	2259	16194	21796	0	7683	10859	19185	22967	25566	2167	2093	2771	6930	1953	19240	0	2556	49963	Phytochemical	0.57894737	0.84210527	0.0
8	C19 H16 O11	421.07654	421.07724	-0.03108244	421.07654	12063	12048	7613	11291	23018	8464	3032	2368	27427	18873	15532	5233	33116	5799	3021	4357	3516	16725	20487	10741	16010	21486	8840	3391	796	933	2336	1979	1994	995	1596	2601	3014	1000	29298	978	5162	5293	5681	6363	13646	7436	0	0	0	3975	12757	0	1964	1880	10631	9769	12801	0	22060	24297	10750	4524	2858	4358	4056	6059	47288	25645	11172	26992	8494	6418	7982	4686	11246	3151	2086	991	2530	1975	0	2845	11133	7147	8642	6385	1417	0	31038	7408	7565	11055	8776	4814	0	0	2258	23022	13647	0	10589	10681	28618	39551	31460	5718	2816	2650	7240	4432	22968	0	1899	40637	Phytochemical	0.57894737	0.84210527	0.0
26	C19 H16 O11	421.07654	421.07703	0.030321425	421.07654	7064	7779	4773	8727	16475	11867	0	0	19946	9171	0	0	41624	10031	0	0	0	27502	15737	6512	5212	10024	6242	0	0	0	0	0	0	0	0	0	3096	0	9645	0	2001	0	0	3876	3907	0	0	0	0	0	6638	0	0	0	7484	4914	8144	0	26117	14516	5382	3501	0	0	0	4313	34230	18361	3734	17236	3696	0	0	2120	3688	0	0	0	0	0	0	0	7974	7741	7779	4184	2220	0	21694	11631	5216	2589	4295	2405	0	2363	0	8141	14020	0	7525	5900	9032	15784	18160	0	0	0	0	0	12156	0	0	35409	Phytochemical	0.57894737	0.84210527	0.0
16	C19 H16 O11	421.07654	421.0771	-0.025859142	421.07654	69042	82819	74065	70065	145895	79832	19368	18562	163406	109685	81621	28025	258418	59343	36295	22532	22357	179057	170906	77480	91403	155656	58856	28959	17332	16172	19872	24505	14412	13862	18201	14011	37888	11396	136085	10818	41143	43395	19685	57652	71884	44892	2472	444	689	71372	101442	1412	20606	15534	74642	69288	88604	441	153648	128849	55188	26098	29248	25651	34099	54206	258166	149695	47839	180858	68330	20484	30793	26399	43509	14138	13491	8122	12432	12986	448	28140	85184	100767	47525	76437	14789	21899	164356	69138	65528	51977	56052	29988	21590	43561	0	170134	131463	667	76420	66821	118348	155595	156770	33130	24372	21686	69600	24602	118062	610	16654	246842	Phytochemical	0.57894737	0.84210527	0.0
28	C19 H16 O11	421.07654	421.077	0.004174582	421.07654	6753	6632	7956	6210	14379	9596	2802	0	17144	9584	2351	2611	29129	6885	5240	2309	0	22732	18099	5805	6421	9929	6671	2520	3562	0	1596	1825	0	0	1576	1086	3519	0	8995	0	4229	2972	1151	2104	4249	2536	1161	0	0	3961	9598	1310	0	0	6825	4283	9062	0	19295	13503	6392	1352	1845	1529	2464	2809	27610	13960	3828	17281	3617	2125	4080	2873	2917	1328	1141	0	0	0	0	1067	7936	6514	9021	3605	0	1775	18958	8174	5061	2948	4923	0	1873	3559	2593	8243	8683	0	6200	6013	8033	12861	13250	0	1756	0	7180	3133	11408	0	1791	27803	Phytochemical	0.57894737	0.84210527	0.0
22	C19 H16 O11	421.07654	421.0771	0.06871293	421.07657	30874	25524	29862	25042	87092	46012	5104	4230	94122	34376	10080	9186	119516	33048	12748	6284	3884	101074	58452	19924	32938	62366	26574	6440	7672	9302	5214	7564	2374	3048	5870	0	8494	7302	38564	2388	13868	12776	5340	12834	21846	8754	0	0	1848	25706	49754	0	4646	4054	31796	26842	41922	1610	89050	71876	29196	6434	9242	7824	7846	19944	132656	85316	16616	91642	20460	6270	14212	14110	17512	2788	0	0	4756	0	2278	5890	41996	31660	33826	34400	4208	7226	98854	44094	26810	11940	15636	10128	11826	10658	15512	63464	74748	0	37886	31198	56578	81876	84518	7372	7556	10228	33696	7764	65242	0	6344	153518	Phytochemical	0.57894737	0.84210527	0.0
10	C18 H16 O10 N2	421.08777	421.08838	-0.050872702	421.08774	10350	10011	11038	11253	15945	6007	1672	3298	20290	19074	18923	5349	33579	4294	2296	4694	5135	18022	20897	11438	26937	35202	6652	4294	1002	0	2977	2877	1958	0	2246	2226	6195	1451	29603	1243	6481	4803	4990	14673	33406	5325	0	0	0	12357	38007	0	2116	0	7841	9689	10301	0	26618	16066	6889	3062	2820	6392	0	15395	48159	24587	6132	19665	6416	5350	7667	4949	8589	2481	2745	2540	3863	1185	0	3762	9939	10827	4207	12652	1310	2331	20694	4892	4759	9964	5386	10483	0	6842	4856	31593	13458	0	10547	12297	13983	18597	21314	5073	2065	3138	18149	4695	12188	0	1815	36740	Phytochemical	0.5555556	0.8888889	0.11111111
14	C18 H16 O10 N2	421.08777	421.08838	0.053789414	421.0878	21972	18742	12363	15592	24252	12640	4217	3399	29844	22488	22193	7244	43935	5082	6235	4708	9663	27346	18789	12438	41066	45813	10265	3247	1281	2115	5005	0	1668	2443	4495	0	8397	1667	43376	3106	5795	4233	10429	21775	58370	9953	0	0	0	26019	45420	0	4553	2565	13211	13164	13770	0	38512	19798	8957	6762	0	7348	0	33111	50637	37188	10364	27643	12062	9326	0	5419	13794	2497	2392	0	5402	2389	0	5580	8146	26870	5834	25131	1913	5856	28264	8561	12867	13133	12067	22795	2994	9890	17526	54170	34747	0	17977	13849	13926	24893	22420	7388	5591	2457	21719	8288	14628	0	5106	45465	Phytochemical	0.5555556	0.8888889	0.11111111
8	C18 H16 O10 N2	421.08777	421.08847	-0.014824343	421.08777	4186	6036	4167	6314	9878	2303	827	2716	14342	7578	9519	2092	22719	2397	973	1945	2558	8739	9738	4821	14063	12034	2299	1402	750	557	1358	0	783	1486	1526	1661	2682	1045	15532	0	1892	1858	1978	5815	14459	3006	0	0	0	4490	16777	0	0	1099	6325	6080	5801	0	13631	10518	3156	1712	896	1764	0	5922	29282	14141	4893	14003	4350	2693	0	1643	3792	1582	1743	0	1812	847	0	1514	3440	0	2378	4228	697	0	11193	0	3109	5372	3264	5286	0	0	3118	16749	6199	0	5494	6846	9174	17702	12371	2660	1660	0	7655	4375	7179	0	614	22042	Phytochemical	0.5555556	0.8888889	0.11111111
12	C18 H16 O10 N2	421.08777	421.0884	0.021353256	421.08777	14156	15772	15460	16279	22167	9941	0	3664	25776	17628	20750	5357	38235	5297	4046	5068	11230	25502	25432	17540	33464	43796	10278	6326	2755	1274	0	0	5505	1713	1652	2674	7476	3698	44682	3369	7592	2834	6162	20247	58626	7804	0	0	0	18754	59545	0	5038	2697	14425	18049	12677	0	25025	25951	9002	8170	6619	0	0	30559	65794	31491	8672	27305	10626	8921	0	2741	15550	3707	1893	2592	5651	2439	0	4679	11935	26760	8260	21066	2227	4923	23819	10412	11271	10828	12647	17429	4911	7071	13096	55448	25830	0	17896	16577	19878	27205	20979	9270	5774	5011	22949	9178	12991	0	4048	51488	Phytochemical	0.5555556	0.8888889	0.11111111
18	C23 H16 O8	421.0918	421.09235	-3.8468E-4	421.0918	25046	24385	20849	25978	35677	22680	6405	0	41212	67929	50049	12658	78496	13068	5700	7657	10921	44412	38520	33605	49181	86364	19196	14744	1430	36857	9315	13141	0	4353	5919	0	9618	0	88593	0	15102	17946	7620	40587	58149	10709	1630	0	0	33643	72197	1002	7854	5262	36499	26847	30224	0	39880	30928	15124	12978	9308	9382	14236	39424	86136	47372	17423	50860	10240	10646	37100	42809	70793	6081	1495	0	11007	0	0	10257	29191	48637	18139	37862	3960	14228	45833	23998	32413	29247	16984	18113	6687	18844	23694	101439	71074	0	25667	17219	31475	36046	41380	14023	5439	9461	39257	10150	28287	0	11639	69249	Phytochemical	0.3478261	0.6956522	0.0
24	C23 H16 O8	421.0918	421.09225	-0.11219487	421.09174	3800	6830	3739	3653	5073	3194	1993	0	8046	17394	8235	2216	6317	1951	2055	2233	1760	5568	5244	7406	8080	10131	2614	0	0	19619	0	7646	0	0	0	0	0	0	19260	0	1109	2542	1640	5157	11423	2178	0	0	0	8230	11400	0	0	0	4094	5404	2497	0	4021	5853	2774	2825	2090	2085	0	7272	7505	4948	1893	6083	3401	1642	19671	15069	34018	0	0	0	0	0	0	1832	5987	11435	5554	9058	2479	6996	8502	4525	6579	5155	3720	3860	0	0	1974	14308	18426	0	5234	6139	3374	5266	8147	1643	0	0	5266	1398	5866	0	1885	7865	Phytochemical	0.3478261	0.6956522	0.0
22	C23 H16 O8	421.0918	421.09225	-0.07351147	421.09177	10667	7573	7168	7286	8888	3017	0	0	9326	32303	24886	1449	5795	5100	2537	4536	4050	10197	12348	16281	21999	18665	3852	2722	2197	41415	1895	12731	1680	2283	2593	0	2632	0	24711	0	1821	3079	1650	10243	15187	2433	0	0	0	13275	21485	0	2584	2314	6741	7854	7241	0	9262	13073	4603	3228	2957	5096	1861	11288	12588	6070	3702	9673	6765	3400	35096	33981	57444	0	0	0	2191	2355	0	1608	8453	17110	5237	12054	3790	13778	12414	6517	7272	4935	4852	6008	4919	4311	5020	28683	26466	0	5954	7712	14518	19925	15749	3969	2184	3165	12135	2065	10406	0	3563	13543	Phytochemical	0.3478261	0.6956522	0.0
6	C24 H20 O5 S1	421.1104	421.11078	-0.4175759	421.11026	0	0	0	853	929	0	0	0	0	0	0	468	0	0	0	0	0	1058	820	0	0	0	0	1331	0	0	0	0	0	0	0	0	794	0	0	0	0	0	0	0	875	0	0	0	0	0	0	0	0	0	0	1044	0	0	806	0	766	0	0	0	0	0	1795	0	0	0	642	0	0	0	0	0	0	0	27790	739	0	0	707	0	0	658	579	0	0	0	0	1078	0	0	0	0	0	0	0	0	0	0	1441	895	0	1064	0	0	0	840	0	0	0	0	Organosulfur	0.20833333	0.8333333	0.0
24	C20 H20 O10	421.1129	421.1134	0.025150305	421.11295	23089	20091	19850	23398	33801	20184	4194	7313	38632	56756	14923	5931	72347	12278	12264	6813	5861	45319	34540	26002	31801	39259	16827	11790	7825	15412	2474	8235	5001	3327	5908	3604	9188	4626	47771	4642	7312	6201	5402	19525	13163	7086	0	0	0	30013	31933	0	5239	4244	19740	19476	21489	0	45331	27085	12370	9965	6094	4490	9277	18200	60446	41926	10715	41377	10299	5422	19950	29958	20437	5969	5296	3212	4311	4216	0	5095	17158	18429	16230	21898	7149	13326	45380	17790	11097	7936	9282	5669	9167	14944	10531	25535	36452	0	22426	19004	24194	29686	30458	7863	6502	12203	25765	6686	23224	0	7209	63235	Phytochemical	0.5	1.0	0.0
26	C20 H20 O10	421.1129	421.11337	-0.004595756	421.1129	9688	11771	11429	10970	16815	12467	0	0	18467	23657	5567	4359	43771	10363	0	0	0	27339	20107	21445	17740	20078	10665	6059	0	7775	1722	5759	0	0	3839	0	5115	3662	32939	0	3708	3448	2222	9251	8002	0	0	0	0	14893	19707	0	4717	0	13067	8533	10732	0	23537	20689	8200	4851	4343	4449	0	8941	35492	18081	3342	20591	4646	3064	14397	18219	19189	3285	2622	0	0	3526	0	4868	9948	9665	10815	10519	2874	6164	18186	12058	6969	3823	5694	2090	4968	5070	4578	12188	23105	0	13630	11442	11056	20248	14823	5262	2735	0	13235	3293	14514	0	5885	38138	Phytochemical	0.5	1.0	0.0
28	C20 H20 O10	421.1129	421.1134	-0.052253276	421.1129	8651	9355	9345	8043	12480	10150	2350	6302	13785	22446	6406	3184	28755	7941	5788	6033	2124	13773	13223	16684	18453	12689	8644	6552	4098	8308	1675	4870	3696	2643	3278	2270	4497	2931	21296	3018	4645	4703	3258	9657	10227	3211	1414	1269	0	13088	14778	1100	3472	4833	6324	8010	10562	0	18909	14547	5031	3577	4337	3068	4820	9657	23184	11748	4905	15625	6040	2745	9144	15528	14531	3340	3111	2525	2629	3869	0	3620	8580	6692	8288	8983	2843	7057	16791	8353	7502	2518	4400	2984	3680	5776	6930	7970	16696	1159	10161	8147	9380	13383	12293	4395	3770	4205	8483	4649	8985	0	3905	20265	Phytochemical	0.5	1.0	0.0
20	C20 H20 O10	421.1129	421.1134	-0.06573778	421.11288	123517	119364	114899	116683	157004	121643	34895	67767	176860	254970	90881	43638	270656	92044	76090	54920	27399	208873	191588	192976	177999	178467	80346	70408	54791	105545	33683	68757	52900	45139	50131	52679	71402	57710	295427	38702	88247	57547	33951	157595	100438	55089	6451	1354	1407	185100	182063	2320	54042	52026	116773	117467	105862	1777	200354	128302	72728	72081	68506	33158	66983	109722	267357	157101	56898	182735	73998	39962	95544	159682	145588	55326	49984	39228	33603	47146	1650	46050	100155	95387	80809	144359	36489	92845	155223	88908	81867	49901	79043	44063	82467	88395	88578	117609	162575	1966	117946	104655	138949	145097	141314	55103	48609	60241	147814	60201	121667	1279	51359	289909	Phytochemical	0.5	1.0	0.0
6	C20 H20 O10	421.1129	421.11362	-0.04395011	421.1129	14661	16443	10525	11842	10960	5606	5387	8851	16772	25440	22967	6555	13803	6501	6484	8587	9933	12864	15911	13984	28264	11776	9775	11264	2646	7660	4681	9874	5791	6200	7582	6688	9242	7835	27890	6782	8126	6717	12099	8971	15964	7157	0	0	0	9518	21019	0	6500	6554	10908	12085	9868	264	15247	14151	7133	10097	5738	9772	9516	9270	19975	15475	6499	13176	8834	11824	18365	18268	31182	4458	6100	6121	4584	6130	204	6140	14060	5379	9600	6408	4282	4782	17639	9541	11089	7321	10087	12751	0	4266	9042	14445	11232	350	9982	10896	14829	16243	17380	7304	7377	8379	9117	8401	15381	0	5419	19603	Phytochemical	0.5	1.0	0.0
8	C20 H20 O10	421.1129	421.1136	-0.0534492	421.1129	41804	53686	38135	45107	35405	25198	21620	33774	46484	108461	160420	27026	48653	21058	24652	37917	37946	43322	50963	82768	194180	133206	34853	34624	11082	37837	24435	39750	22197	28300	24950	29652	26085	27053	272368	20501	26541	29161	39725	52066	165174	23063	962	0	385	56020	169776	0	31612	32605	51064	48010	28474	297	53331	39916	23115	28305	24273	36066	39515	45424	128688	100064	21270	46282	23209	40778	70828	64501	110931	27310	25185	22573	20637	29466	309	21735	46953	35007	37795	72602	17605	24003	53213	23610	35280	27033	30881	45266	16611	26160	32225	56000	54873	501	49531	47701	54398	96094	55238	32698	24433	36856	42179	30765	44144	0	18541	119202	Phytochemical	0.5	1.0	0.0
16	C19 H20 O9 N2	421.12415	421.1247	-0.07589809	421.1241	75218	70679	59730	67539	60293	56550	43953	51718	62053	132115	59253	39355	106677	35787	47073	58902	46074	95712	93833	87985	108919	127094	52954	62641	44548	26248	36055	38927	42773	36875	47060	47364	65553	39487	151090	43019	70929	47604	47507	125629	98008	39264	1041	0	0	90341	118818	0	54500	39896	70034	64660	52155	366	80221	51916	38682	54161	56505	40160	60556	88305	91025	62628	29989	72646	50439	53261	39715	61573	55339	41477	42532	32342	38758	28584	0	36176	62705	73647	51791	80481	37549	51962	68818	38032	68540	45554	43805	73741	39472	83110	124300	88477	115070	0	70738	68792	45288	59998	52485	61711	28790	46140	77482	73766	49983	400	47446	118959	Phytochemical	0.47368422	1.0526316	0.10526316
18	C19 H20 O9 N2	421.12415	421.1247	-0.032299843	421.12415	40165	39741	36444	38150	37505	30596	23067	27131	34209	60094	19867	19304	62968	22715	27154	37413	22870	45840	50304	34231	46167	62534	26962	38284	24705	10850	19756	15735	19321	15326	23991	20915	37639	15983	70371	19604	32970	30563	20252	49870	45235	18817	1226	0	0	46170	57071	0	25166	19886	31580	34007	28155	416	48457	37327	23311	23301	20779	15889	30765	37444	60945	40326	20991	38285	30125	23488	20489	24348	24478	20039	14852	12646	16718	16988	314	18342	34930	35431	20764	32906	13192	26408	38676	28669	32095	32730	20844	34123	34074	42298	53688	44389	59417	0	36579	30203	26821	33647	31108	29726	20667	25265	31509	36510	29010	0	30428	70076	Phytochemical	0.47368422	1.0526316	0.10526316
6	C19 H20 O9 N2	421.12415	421.12485	-0.045610502	421.12415	37469	34644	31478	32518	24115	17658	11421	25188	38278	61963	52049	19311	48595	10034	16004	33657	30094	33377	41409	49390	82290	59668	23284	31048	8191	8725	13814	16401	22525	19582	21632	24197	32407	19498	87437	21198	30479	16669	34432	42158	88040	17934	0	0	0	44281	94666	0	28706	21468	37428	36522	21297	0	41051	26610	17060	26547	17287	30838	31284	37417	63655	35214	18279	33907	23798	43383	29556	20836	50019	20760	21899	17307	12975	17849	0	14237	18908	22288	19238	30850	11694	14688	38993	16713	18525	22621	24331	48013	12307	30222	45753	52181	47844	0	33306	31271	22638	34834	33547	30997	17045	31880	54178	31502	25652	0	13592	54489	Phytochemical	0.47368422	1.0526316	0.10526316
14	C19 H20 O9 N2	421.12415	421.12473	-0.05802816	421.12415	107357	105722	93674	98545	88655	72609	61576	69159	100152	186395	97057	48094	150642	41195	60507	82373	77300	121595	120860	132932	171899	219262	75925	95755	67458	46458	48864	73396	66644	59374	66107	84550	97631	55324	235072	59603	91963	64251	73631	181795	182870	58922	2692	0	0	141437	195998	0	77558	67783	90980	92859	63635	0	127601	69121	46074	95388	122023	73399	74053	144963	157941	115028	46645	111560	62389	66793	79514	100300	108628	60317	57798	53655	55042	57067	0	61497	88229	124595	72942	112837	52334	69719	97544	59472	91888	70207	69408	130860	83609	93932	148296	133755	161410	441	107189	94814	61055	83134	84921	98040	54029	94527	152419	89034	70294	0	57948	158213	Phytochemical	0.47368422	1.0526316	0.10526316
20	C19 H20 O9 N2	421.12415	421.1247	-0.01660219	421.12415	15740	11563	8601	11444	17835	13905	8597	7385	18152	21542	10001	7101	32027	8229	11081	14553	5876	16511	21046	16186	15448	29023	13830	14783	12752	3212	9211	3845	9052	6794	8717	4910	9506	5574	24122	6421	10945	10238	6532	23069	17960	10598	0	637	297	20832	22113	0	9130	9057	12639	15122	15632	461	19183	10639	10105	12741	4485	5988	6783	17117	23992	13892	8233	19112	11310	7536	5172	8653	5241	7372	4643	4747	3037	5437	0	6067	16887	19719	13669	15590	3947	0	14476	9262	17119	14420	9425	10566	10354	17530	21357	22197	27343	0	17067	19393	12462	14545	16724	12213	5901	9802	14459	13519	17824	0	12791	29716	Phytochemical	0.47368422	1.0526316	0.10526316
18	C24 H20 O7	421.12817	421.1287	-0.059304293	421.12814	18218	11964	10871	14941	10837	4061	6630	4933	8820	37890	37478	3639	11688	8717	5174	12300	4945	11185	17882	36657	28031	11460	9205	9091	4441	72630	5351	28056	4873	4401	5071	4191	9274	0	48596	3183	5829	4583	3839	23504	20996	6488	561	0	0	16338	21910	0	5223	3758	12492	10898	9033	0	10984	9775	5730	8146	5630	4243	9089	14624	14565	9656	8103	14905	7081	6256	54474	66397	91821	2598	3045	2950	6081	0	0	4265	8334	16609	11368	16190	2904	21833	15942	7714	10022	5908	8556	8316	7145	13916	9325	22312	19342	0	21034	9753	12901	8057	10334	4416	4307	8231	9997	6555	8639	0	4625	5871	Phytochemical	0.29166666	0.8333333	0.0
24	C24 H20 O7	421.12817	421.12863	-0.078236215	421.12814	12900	14509	12618	12184	11997	5045	2777	2216	17004	30483	36312	2882	10781	4383	3706	4723	3689	12449	12491	24782	27178	18653	5185	3000	4160	80759	3179	30482	2898	0	2105	1377	3510	1046	43609	2345	2637	5623	1924	18885	26455	4441	0	0	0	18488	28406	0	2308	1629	12922	11913	8424	0	9949	8178	7625	3950	3544	5422	2221	13916	7440	12194	4757	14270	11449	4472	83238	63048	98035	2581	1361	1920	1899	1294	0	3291	9668	16628	7869	20442	5541	20176	19598	9012	9536	5323	7685	4073	5430	9056	7266	28598	20460	0	9874	11150	11420	13865	16903	5224	2906	6155	15021	3468	12067	0	5837	14585	Phytochemical	0.29166666	0.8333333	0.0
16	C24 H20 O7	421.12817	421.1287	-0.12989937	421.1281	9842	9654	9493	7547	3996	4862	2893	0	6971	14271	17085	2747	3478	5841	4339	4830	4876	6162	6977	16606	20745	9759	5044	2901	4932	35307	3737	9424	4279	2798	1472	0	2861	2836	17628	3420	2976	2170	3754	6960	7340	2435	0	0	0	8648	6543	0	1782	3589	3733	8458	2258	0	0	4770	3230	5660	3287	4212	0	6704	7973	6286	3541	4760	3131	3718	26984	31216	42894	2725	3532	2842	2568	4192	0	2558	4609	4403	5609	8618	3405	7042	5695	3646	4885	2571	3996	0	5360	4120	0	7019	10602	0	6055	5764	6302	6450	4872	3124	2660	3907	4755	0	4733	0	3873	4119	Phytochemical	0.29166666	0.8333333	0.0
26	C24 H20 O7	421.12817	421.1286	-0.15342635	421.1281	5103	3560	2764	3588	4669	0	0	0	4637	12070	10740	0	6282	0	0	0	0	0	5718	5114	9625	7222	0	0	0	24613	0	8167	0	0	0	0	0	0	14990	0	0	0	2427	5188	14697	0	0	0	0	0	8314	0	0	0	2856	4796	2697	0	0	0	0	0	0	0	0	3072	5504	4403	0	5488	2604	0	31671	20915	42053	0	0	0	0	0	0	0	5171	6402	2753	7633	0	9162	6968	0	4731	0	0	1689	0	1863	0	11535	9360	0	4022	0	3544	6377	0	0	0	0	0	0	4879	0	0	6149	Phytochemical	0.29166666	0.8333333	0.0
22	C24 H20 O7	421.12817	421.12863	-0.074730195	421.12814	31671	32258	32354	38346	32415	25397	13626	15377	45278	71514	88857	15588	41726	14757	20386	16832	16648	41221	35186	62341	69269	56187	24997	18104	23020	129621	11601	66912	13064	9715	13665	4777	21319	12189	98489	8664	17840	19732	14806	57577	61815	16891	0	0	0	44828	64079	0	21579	10871	50784	32309	42001	1637	34927	33240	24109	25540	21135	17285	21372	43406	45735	35062	20015	45758	22709	11876	125237	126204	185771	10468	5400	5525	7031	6994	1413	13078	38430	43563	26923	38464	15473	41645	47270	35738	30000	25811	21542	25895	26221	40206	42991	65416	80390	0	34406	36677	42971	41670	42168	24654	12086	21167	46613	21336	31714	0	22177	43449	Phytochemical	0.29166666	0.8333333	0.0
14	C25 H24 O4 S1	421.14682	421.14716	-0.3380299	421.14667	0	0	0	0	1415	0	0	0	4512	0	0	2538	0	3137	0	0	0	3269	0	0	0	0	0	0	2435	0	2518	0	0	3497	0	0	0	0	0	2563	0	5124	4223	0	0	3261	0	0	0	2831	0	0	0	3694	0	0	2697	0	4982	2878	1314	4904	0	0	0	5146	2999	0	3899	3492	3106	2633	0	0	3089	0	0	2603	24835	0	0	6653	6680	0	0	0	0	0	1758	0	4281	0	2655	0	3752	0	4594	0	0	885	0	0	0	2391	0	0	0	0	0	2018	4361	0	2212	0	Organosulfur	0.16	0.96	0.0
28	C21 H24 O9	421.14932	421.14975	-0.10045019	421.14926	14526	16426	14904	14380	17071	15401	7509	13767	17565	31353	9927	6740	32455	8929	11778	13654	6063	25518	24980	29567	32109	18782	15619	17968	9990	21567	8077	13348	10287	9954	12111	9179	12356	10261	36266	9666	12556	9310	6012	21475	15231	9640	1649	0	0	16982	17723	1518	13369	12767	13868	13337	13012	0	23626	14173	9087	14419	7655	5994	12426	12240	21830	15288	5715	22312	12026	8947	24428	43584	28087	13300	7594	11525	7483	9208	0	7107	17188	11033	15361	10905	7222	14590	17288	10079	13509	6614	8363	6771	10864	13018	12818	9563	17835	1645	16914	16341	13656	14958	16690	10139	6737	12231	14855	9373	10759	1151	8097	25184	Phytochemical	0.42857143	1.1428572	0.0
10	C21 H24 O9	421.14932	421.1499	-0.06664419	421.1493	329682	337572	295060	284374	171744	125034	201432	336630	108687	516936	330652	221374	203026	58438	206508	337728	250372	104139	242238	537364	519588	318456	240716	360450	159512	491424	232726	124563	259098	268156	132138	306224	283050	231708	573468	264186	250898	198606	278710	374902	390506	119662	4957	1249	988	346818	394072	1251	304836	272180	307076	316160	152622	1812	223740	149872	60198	287176	132262	286490	186434	249088	209238	196694	112344	95097	75455	285712	228304	553476	643184	274938	274408	275432	210466	258938	1283	188336	317620	80792	281980	281622	236604	238694	218358	126892	238542	126956	147302	274128	114731	237524	291902	212804	153969	3296	312356	322614	100564	181372	173396	259778	100704	174554	146099	226012	168710	1413	199270	116899	Phytochemical	0.42857143	1.1428572	0.0
6	C21 H24 O9	421.14932	421.15002	-0.05292462	421.1493	26418	29434	20884	29072	11236	4653	10004	16188	14332	35638	23504	18776	14784	5187	9177	14362	12120	18706	20594	18441	45482	28930	11958	38946	5292	14540	9105	9754	12314	15046	13308	14417	14863	19332	36928	12988	23244	9627	35038	20900	37960	6237	0	643	1109	13721	34314	644	14777	26930	25146	28310	13330	953	16474	17204	6615	28274	9753	29176	12219	9537	18582	8064	5454	14292	10532	18703	18267	13946	21780	12734	13450	14805	7078	12509	841	9234	25784	6717	22034	20482	21382	7470	16612	5879	10732	6318	7414	26214	6265	11024	28264	19900	22558	1419	23834	28426	12922	19600	17306	12523	10013	15243	10085	22596	12706	716	9043	20808	Phytochemical	0.42857143	1.1428572	0.0
26	C21 H24 O9	421.14932	421.1498	-0.07337124	421.1493	27181	22624	26631	21686	29288	23875	7591	20074	36783	59425	16536	14057	60678	14754	21286	17044	8219	46671	39142	54903	60064	33120	20688	23523	14195	26673	6743	16366	14053	16098	14291	11467	19933	15155	60593	14422	20419	14449	12776	31846	19813	13195	0	0	0	29020	27523	0	16964	21386	20501	24151	22344	0	42321	33175	15903	23196	13997	8740	17427	19486	48990	29329	10213	37378	15002	10897	34384	63962	45997	20329	14711	16832	10516	14934	0	11730	23223	11469	21062	15614	10139	15785	39000	21966	22461	11276	17407	10930	15636	16119	22549	17827	26294	0	26152	29918	19384	27558	36053	15934	15383	16469	16788	15322	19184	0	12554	51636	Phytochemical	0.42857143	1.1428572	0.0
22	C21 H24 O9	421.14932	421.14978	-0.0631732	421.1493	181439	168638	147452	168757	178127	150244	68174	137158	214184	364737	146831	83204	251455	108350	131492	114351	67249	245988	195127	299246	309759	173209	136384	148436	124570	213945	67373	111398	122416	98442	126521	136075	131121	128221	368174	116941	157207	108076	70732	207574	139784	86816	8624	0	2429	199972	177408	3648	123404	120514	169920	158865	134608	3773	223197	151275	95120	129680	111572	56296	127354	143796	274416	180892	81295	187896	115001	77683	187360	391182	292200	140520	100183	97753	62632	113095	2314	104506	159179	75219	140745	132554	82571	135139	192708	117546	131031	86316	109349	77951	125631	151864	148412	110636	169102	3953	156024	153451	146102	150667	157197	107551	91386	135738	129789	121935	144804	0	101813	306181	Phytochemical	0.42857143	1.1428572	0.0
20	C20 H24 O8 N2	421.16055	421.161	-0.09582491	421.1605	22786	16938	20061	15802	16567	21783	13927	23973	16192	32323	15125	12675	20540	7690	21245	20600	13197	22133	18883	22651	19770	34361	19106	30154	22835	2992	14602	15054	22972	17105	21627	17464	30310	20021	40872	17709	30814	16527	16717	30913	20586	14462	665	0	0	22189	21757	0	27252	15822	22463	22563	18330	364	24893	10370	9139	20885	20384	8000	23642	18461	19677	15392	11560	21237	16099	15533	10380	13227	7704	15974	14342	14473	9875	16279	0	14863	21632	15280	16665	11313	12607	19785	11129	12322	16122	15327	15661	20592	19869	29585	44787	15676	20618	0	24956	16932	12679	12065	9415	21017	12324	17238	12509	22500	13471	0	18967	34684	Phytochemical	0.4	1.2	0.1
18	C20 H24 O8 N2	421.16055	421.161	-0.15551746	421.1605	68694	59163	69894	66512	47319	54055	50019	73046	48554	99372	40823	36666	67166	27134	60727	72313	43719	62028	79062	77883	81704	98149	52497	86811	71491	23676	38653	45779	72239	49314	72515	66863	79673	65087	112193	64968	85372	54096	51691	97040	54771	43996	1059	0	0	65369	41584	0	76417	53443	62296	55223	52306	408	63236	36034	32340	79543	61997	31740	65562	61865	60646	44081	26201	59881	46962	41918	28022	55289	47503	64270	45781	44612	39079	54880	0	54689	58392	43817	49673	49899	44824	53052	35617	37628	61026	48455	45416	62462	87324	112368	108994	45791	76025	0	64005	56023	33506	31634	29365	65213	39728	65982	41437	78356	33768	0	60805	81113	Phytochemical	0.4	1.2	0.1
10	C20 H24 O8 N2	421.16055	421.16113	-0.09399287	421.1605	231817	234428	198478	189673	101942	94462	134967	232949	127019	409667	178326	134045	134469	58105	143813	211287	153121	141606	185455	398138	393836	376038	157612	259185	136513	119997	121365	136779	199416	188652	193811	215985	252618	184187	488639	201880	250351	140699	186443	388014	302542	92186	1924	0	0	310336	306674	0	237801	196179	214242	204874	99933	0	152001	83149	66919	237738	207450	167042	232357	227371	141923	125913	70492	133116	108631	192501	137528	244551	213082	214048	184376	183617	132436	185763	0	133593	158521	149511	140697	197300	166656	175936	91569	74109	147418	104708	120718	227799	189122	259299	301120	205915	315687	958	225379	212470	78100	85809	80632	216213	129266	279559	235380	208346	71997	0	140365	155353	Phytochemical	0.4	1.2	0.1
6	C20 H24 O8 N2	421.16055	421.16122	-0.06758465	421.16052	77766	80990	68166	70161	38671	30297	37798	74915	52903	129917	72627	45342	70723	22532	50650	82348	59214	57287	72183	117123	145034	128900	55970	87797	34831	31022	34946	49800	59987	59791	59895	69374	80150	59970	176763	62909	81260	46984	77025	92962	133165	36882	0	0	0	94941	131967	0	75036	63022	75851	79006	42624	0	64055	44908	31185	77349	50693	67526	75366	75641	69434	60997	23755	58607	48571	81349	46921	73099	86218	64713	59772	59428	35657	56719	0	37238	60307	54953	45059	61288	48219	57104	46871	34825	60561	44173	44589	94130	64393	91256	109074	82117	108644	0	74434	68692	32869	49162	48265	78218	42474	90423	69655	68214	37174	0	46259	71409	Phytochemical	0.4	1.2	0.1
4	C20 H24 O8 N2	421.16055	421.1613	-0.08306658	421.1605	22492	22034	21805	19072	13892	10758	8470	18314	18728	28609	21486	11472	25752	8813	14604	19577	21519	18065	20956	27532	33621	31391	16164	19928	9043	11368	9807	12013	13728	13985	14906	13869	18067	12091	41399	13366	18824	13682	33069	26248	33110	10811	0	0	0	26570	41500	0	14746	16386	20693	16335	12143	0	24167	15077	9475	17629	13079	20123	18750	17836	24960	17647	8975	18735	11519	26641	18553	16592	24308	15731	12836	14419	9128	13407	0	10698	18960	19491	17944	16558	12680	12386	18793	11913	15194	11094	13703	26921	20097	23281	29662	22373	29062	0	17777	24073	14837	21099	17202	19169	12922	24344	19245	17802	14257	0	11692	24812	Phytochemical	0.4	1.2	0.1
14	C20 H24 O8 N2	421.16055	421.16107	-0.15385064	421.1605	250921	241389	199337	227567	113291	122127	180410	270175	141659	333051	176957	140448	159260	80445	195923	215174	159908	174387	202752	341604	333453	411630	189896	286705	204417	113354	138071	179827	227058	205882	203253	253757	275645	201028	439829	224619	282748	164335	179278	364924	244932	131317	0	366	0	297256	252194	0	229847	208374	207303	216371	131082	373	191760	90174	89214	275448	307589	161481	269454	239432	173678	144540	72204	156442	132065	168939	117655	250073	169769	225342	211404	213500	144566	197727	0	163355	187462	165326	160519	181221	183453	179087	89599	105892	177957	137661	151501	239557	267384	301117	381425	184450	267339	805	240685	223434	83150	86252	89304	246882	157592	309627	229616	243327	89350	0	168346	178649	Phytochemical	0.4	1.2	0.1
22	C25 H24 O6	421.16455	421.16504	-0.081119046	421.16452	44361	44654	40723	45752	45049	24916	17098	22153	39481	81063	95292	15666	27891	30281	30006	26224	19589	37534	40194	91838	93063	39206	28585	27418	25543	260381	12723	86013	22846	15567	21699	12785	23440	21257	89642	19717	22201	18572	20309	67172	92825	25074	0	0	0	49582	56130	0	19666	22014	37960	47297	30226	376	24919	33581	23784	22362	16594	22857	27356	50015	37793	29128	18280	42573	31930	26617	208075	209030	289919	19435	16528	12207	11279	19342	0	16568	36242	35565	31087	34418	20210	60624	44371	31220	35980	27372	24245	35720	30861	31699	40919	43357	45246	0	40703	40748	46477	37245	32344	27533	16711	31027	38105	21198	35676	0	22203	32662	Phytochemical	0.24	0.96	0.0
16	C25 H24 O6	421.16455	421.16504	-0.24096058	421.16446	6649	9277	8360	7470	5303	5576	7451	8020	4699	10024	8053	5681	4242	5182	5565	8466	5816	4163	8120	13423	15338	9425	4969	9321	7296	24034	6295	42216	8408	7398	7478	7807	9411	5088	12804	7964	5988	4523	11099	7467	9701	3493	0	0	0	6453	6061	0	6789	7428	9881	0	4262	0	4925	4344	4186	7847	5897	7464	12083	6641	8644	5375	3420	3598	4445	10881	18586	23286	31893	5522	5753	5476	6991	9741	0	6939	10611	6281	8785	6041	5651	8264	4599	3195	9035	4874	6385	0	3461	7117	0	7272	5806	0	6722	5318	4922	5761	7549	7526	6919	4017	5139	0	5922	0	7031	5106	Phytochemical	0.24	0.96	0.0
26	C25 H24 O6	421.16455	421.16498	-0.08784817	421.16452	9279	9775	9012	8339	12174	4561	2605	0	9605	19682	25009	0	12436	6035	0	0	0	9895	9885	16480	17907	11479	0	0	0	59556	0	18612	0	0	3626	4666	4555	0	22538	0	4400	0	3632	16113	22417	0	0	0	0	11324	16201	0	0	0	7086	11200	6514	0	8833	9655	5727	4436	5035	4509	5110	12159	11504	5887	4871	12283	10418	5048	72641	39257	69071	0	0	0	0	3519	0	0	7114	11408	8187	11137	6902	16480	11929	7384	7567	6410	5245	6277	3446	3231	7039	14001	10311	0	11127	6228	10568	14129	12807	6172	0	6881	9027	2760	9587	0	5159	8373	Phytochemical	0.24	0.96	0.0
18	C25 H24 O6	421.16455	421.16507	-0.07140307	421.16452	18492	24991	14267	14119	14995	9260	10884	15877	12818	26981	29689	8434	10286	10743	12917	23503	10683	10861	22717	22390	26018	19385	9585	18427	11295	73931	11386	22838	8254	14674	10345	10935	15807	9495	25521	17555	14007	12923	18971	26050	25212	11357	482	0	0	12260	14430	0	19588	11191	22809	17899	13304	0	13442	13441	9688	19324	7467	13935	16700	12084	15940	8063	9100	14309	18090	16508	55869	65475	101130	8822	10522	13084	13799	14015	0	9990	22292	18920	16843	16424	8672	20079	22192	11938	21785	8606	11464	24504	17633	15216	21447	13131	14969	0	20678	20014	13658	13467	13165	13715	9078	12388	9843	12751	11625	0	15260	12074	Phytochemical	0.24	0.96	0.0
28	C25 H24 O6	421.16455	421.16498	-0.04956219	421.16455	2749	3809	1888	2590	4388	1343	896	0	2689	4450	5664	1348	4231	2288	0	0	0	2357	2533	2939	6246	2827	0	2225	2107	16695	1306	4905	0	0	1889	1425	0	2152	6379	0	1132	1492	1723	4387	8717	0	0	0	0	2305	3890	0	1072	0	2089	2964	1837	0	2029	2197	1091	2247	1049	1638	0	4093	2300	1387	992	4089	3270	1641	15572	8543	24936	0	1122	0	0	1883	0	0	2824	2898	1507	3391	0	4362	4051	2551	2632	1371	0	1935	2155	2042	0	4502	3859	0	1697	1896	1982	3102	3991	0	0	2178	2965	2113	3254	0	1217	2748	Phytochemical	0.24	0.96	0.0
20	C25 H24 O6	421.16455	421.16504	-0.09411211	421.16452	33968	39868	31210	30990	30321	18268	13235	23682	32050	56770	54572	16642	31871	26038	21220	24239	17579	25593	31766	67016	63177	29908	21326	28709	16622	157543	13327	51599	15572	18484	16402	21895	27408	14279	55749	17770	21373	19007	24852	48020	64635	17616	697	0	0	37425	43236	0	15715	19268	30751	36939	25282	438	25342	21693	21431	21569	17144	20153	24596	28965	31227	23722	18819	26614	22999	21832	133343	136509	216161	19416	14556	14990	19298	17723	0	15220	34100	28176	22407	23912	20414	52406	32307	23534	28967	21129	19867	32191	28187	27557	27439	32718	31498	0	28325	27618	33301	28496	24033	24183	17865	20681	20147	23335	26497	0	19361	25727	Phytochemical	0.24	0.96	0.0
10	C19 H24 O7 N4	421.17178	421.1723	-0.17527847	421.1717	11034	9961	5532	11937	5718	5383	8096	15905	2964	4712	0	5800	5366	1613	8989	11395	10541	5165	6494	8741	8212	15780	8309	17304	11661	0	4448	6630	9353	10526	10632	13151	16121	9060	9293	10751	11219	8721	10364	11750	10732	5509	0	0	0	10033	7563	0	10754	7914	9614	10852	5891	0	3491	1935	3501	14648	9891	9405	0	6324	4546	4893	3271	5042	5148	13337	0	4193	0	11661	7770	9294	7722	10577	0	6902	11168	7370	9439	5628	10492	5211	3509	3179	8291	4840	7032	19490	14157	18490	26005	5844	8105	0	8258	9427	2585	1937	3876	10768	9086	10110	0	16074	2951	0	10621	7399	Peptide	0.36842105	1.2631578	0.21052632
2	C19 H24 O7 N4	421.17178	421.17255	-0.07485484	421.17175	6179	6886	5194	5643	3263	0	3994	5731	3396	2462	1944	3788	5120	1359	4776	6582	6957	3839	5595	2339	4335	6391	6030	7605	4628	396	43523	2924	5660	9384	4790	5364	5926	4857	4488	6037	4994	4184	8125	2788	4825	6270	0	0	0	2007	3149	0	8619	13891	4441	5775	3860	0	3846	2122	2403	5468	2108	4261	5217	2355	4984	3937	3548	4829	4422	11595	0	1295	1212	5328	5184	3328	13029	3785	0	3251	6201	7385	4729	1753	2782	1825	2361	2667	5626	4594	3856	17551	4761	5131	11300	3237	590	0	5833	6045	2442	2386	2459	8819	4297	3256	2282	7165	1396	0	6417	3952	Peptide	0.36842105	1.2631578	0.21052632
4	C19 H24 O7 N4	421.17178	421.1725	-0.13061342	421.17172	5690	5572	4763	5719	2189	2789	3276	6091	3131	3836	3097	4111	3829	1159	4582	7952	6487	4093	4911	3565	3950	7190	5657	8599	4923	0	4832	4483	5129	4144	4675	4752	6582	4119	3982	4073	6244	4265	10811	3673	6655	2834	0	0	0	4460	5282	0	5872	5074	5310	4785	2405	0	3698	2436	2210	5814	3915	5058	5242	3230	3127	2741	2467	3899	3019	9408	0	0	0	4488	3473	4628	2723	4098	0	2743	6801	34475	4628	2630	3441	3005	3851	2577	6093	3249	2885	13319	18239	8485	12603	6528	3455	0	4330	5526	2472	2306	2859	5808	3895	7222	3689	5875	2383	0	4883	4158	Peptide	0.36842105	1.2631578	0.21052632
6	C19 H24 O7 N4	421.17178	421.17242	-0.1672176	421.1717	14159	15270	11696	12886	4447	5046	8950	17731	5139	8179	5684	10484	5129	2359	12031	19485	13385	8314	9470	9737	8956	18186	12209	21755	9901	0	10766	10553	11311	12275	13432	14628	15849	12010	11274	14463	14954	10843	15817	9601	12120	6800	0	0	0	13590	11423	0	15775	13477	13915	13703	7046	0	7013	2523	3692	13931	9296	9066	17550	7475	6990	5775	4411	8893	7573	21634	2283	4456	3571	14059	11120	11933	6021	11049	0	9312	12427	49875	10567	7192	8292	5681	5129	6160	14868	9334	7394	27612	39705	29503	32897	14925	9138	0	12814	14823	4082	2819	3591	15845	8920	15491	0	15240	3553	0	11100	8541	Peptide	0.36842105	1.2631578	0.21052632
8	C19 H24 O7 N4	421.17178	421.1724	-0.13169236	421.17172	15108	15375	10311	13049	5585	6267	7897	17540	5719	7885	4488	10714	6400	0	11916	17392	13110	6746	9031	9026	10085	19115	12864	23181	12955	1019	11710	8459	11997	14162	11795	17166	13310	10813	11061	12619	17369	11879	18861	16862	10189	6334	0	0	0	11592	13627	0	15902	12780	11011	17420	6218	0	8321	4232	4406	16504	12050	9731	17607	8378	6609	5542	5387	6577	6553	17131	0	5653	3879	13532	14452	10160	7116	13317	0	9834	14548	23783	12542	5948	10951	6065	3013	5103	13188	7391	7050	23498	27302	35392	34784	13821	10761	0	12933	10787	3117	3397	3054	12675	10251	18809	0	15401	5638	0	13181	5246	Peptide	0.36842105	1.2631578	0.21052632
16	C19 H29 O5 N2 S1 Na1	421.17676	421.1772	-0.3220441	421.17664	9063	6800	8712	7101	5445	2986	6091	6976	7465	19796	10882	4486	6457	3202	6520	7722	7719	6349	5788	10188	14469	6741	7449	9743	5043	18553	4143	7309	5546	4105	7888	5563	6688	4447	13654	5928	5565	6395	4602	9323	12002	3244	0	0	0	8091	6741	0	5864	7021	8197	6167	5486	0	3807	5950	3596	7490	4230	5957	10418	7609	5390	5393	2511	4558	3310	6548	20177	16103	27594	6747	9281	5692	6529	4754	0	4435	9188	0	4795	5040	5671	6450	6499	5211	7789	4164	5187	0	5085	7200	0	0	8767	0	8282	6752	4029	4593	4062	8278	4023	8284	0	0	7736	0	6647	8844	Organosulfur	0.2631579	1.5263158	0.10526316
14	C22 H28 O8	421.1857	421.18625	-0.10343	421.18564	1104978	1035188	1043650	1008472	334449	251887	446790	1145328	357634	1275914	465661	807386	356730	209686	849250	610865	539491	349445	431864	1515640	1539108	510351	909616	1147522	771424	1454024	801256	438639	894866	1052346	893632	587133	1030048	766200	1319196	1028412	912578	826380	1105628	1012676	548723	578814	8720	1991	1660	918188	512398	2217	1070758	1101474	1050482	949752	582888	3351	398448	317816	524180	1194942	495452	509004	645556	679766	401353	378271	219632	351103	583968	1051470	694951	1753264	1940102	886214	903168	1052422	952670	1051256	1590	753554	1156588	319061	1034518	694668	933820	769260	411353	265199	1074882	265867	643564	660220	410354	849240	1197974	314537	769952	5614	1027696	1047732	278856	383782	384044	973214	734332	1217638	367289	882014	311606	1889	902928	348542	Phytochemical	0.36363637	1.2727273	0.0
10	C22 H28 O8	421.1857	421.18628	-0.18619254	421.1856	69907	64987	58488	107584	24868	25720	56837	75624	36594	60875	70120	45865	36353	23778	99388	158264	67138	31876	92030	77601	153244	122794	55728	152558	75128	146206	60176	33876	124530	64887	61819	128836	64154	44278	143582	68018	67774	94546	73382	102378	108714	29981	2526	981	1602	126840	144708	1309	68278	65255	130302	111154	61262	1246	46067	35815	27639	139522	56529	55865	75137	39273	41234	31973	25523	31224	31007	75395	60421	160858	76761	57421	57061	68026	67121	123132	1377	44089	154164	34607	123794	90842	111358	37052	49852	29983	60789	46682	61676	81134	43819	114764	163508	39161	96042	2076	116254	119548	33699	39961	40730	123524	42202	75668	43118	100720	37199	1312	56543	36563	Phytochemical	0.36363637	1.2727273	0.0
8	C22 H28 O8	421.1857	421.1863	-0.18208684	421.1856	44048	48962	22218	39630	5958	6863	28652	47944	9837	31072	10775	31362	17520	5647	34176	47980	19687	6949	21334	46444	51982	33378	30988	52796	26164	33088	18710	6487	32532	47552	39606	38192	31438	30546	45980	38680	37722	27208	51498	14868	37214	20256	1926	740	1120	46234	41780	968	35330	46900	37148	20840	9803	910	14773	10620	9489	36062	12809	17807	20673	26668	11648	22642	7256	8494	16086	53146	20353	36376	47210	16735	39514	42016	14810	42638	1120	24258	42536	7269	33142	31200	36030	14160	12537	6431	35540	12086	22452	50298	25307	16751	22732	25660	15138	1667	37996	39754	9915	13040	12934	38226	15973	49558	7514	31122	9542	777	29916	18384	Phytochemical	0.36363637	1.2727273	0.0
28	C22 H28 O8	421.1857	421.1861	-0.15673721	421.18564	25000	20499	18792	20992	24681	16748	12759	27372	21766	44179	15015	11180	44835	16465	18246	25658	18763	35264	35556	50298	45401	22358	22447	28170	17080	40895	10697	20442	21244	20794	19924	17118	20981	19026	43503	22280	27507	14619	15198	23054	14425	15989	1640	1430	0	16324	17971	1534	23349	20740	19582	22489	18838	0	29014	20012	10999	30784	13873	7924	27257	14673	32557	24047	10637	32045	17094	18774	38232	66545	55084	18015	17622	18738	14693	16970	0	14826	25464	9351	19274	10045	14307	15107	22462	14721	24166	13607	14151	17188	20642	24380	31709	12701	18898	1942	22069	27561	16586	23941	23625	23785	13283	20570	12331	23447	9635	1895	14525	29606	Phytochemical	0.36363637	1.2727273	0.0
24	C22 H28 O8	421.1857	421.18613	-0.08466261	421.18567	184375	179327	173552	173590	163968	149100	72517	166565	182515	363783	131515	102176	288839	102565	141819	160205	95087	250476	268221	332122	297215	179375	156205	203140	111597	226464	66123	122524	144331	134076	142163	152656	165658	144773	384730	142676	219106	114148	98250	213791	144988	94650	8021	2366	0	173783	113504	3809	152691	132940	168167	166663	126929	0	250860	155026	85319	177308	132130	65499	173623	142287	252952	189325	73239	206534	117856	94912	204974	412415	328154	165031	147487	140353	86210	137478	5323	125117	170561	72927	142520	106286	91511	126214	169294	100704	149618	88416	125025	101409	174351	177986	229732	95380	163057	3833	174495	171203	118904	144976	144198	159099	99387	146531	103022	150794	113117	4168	111155	292077	Phytochemical	0.36363637	1.2727273	0.0
26	C22 H28 O8	421.1857	421.18616	-0.12485738	421.18564	53590	54864	54815	53217	55612	44943	19517	51679	63940	98556	43905	38291	108002	36577	48402	52211	28967	76583	90500	101169	109569	47489	47763	60285	45791	68160	23121	39188	42538	38793	44716	40940	52463	45045	104604	47903	61779	35823	32685	64987	52233	30404	0	0	0	46986	42201	0	57442	42700	53540	56567	46205	0	70848	60932	35552	59225	31360	22375	68469	37149	80156	60957	19799	64846	36294	37096	67041	136547	120591	51025	46052	49351	41707	40340	0	39820	61563	23561	51901	23292	32353	39446	53023	38032	51489	34806	36634	34600	49995	48960	80430	23388	48970	0	60044	59358	37793	56932	64968	59964	32578	45937	24416	37813	31055	0	35248	89175	Phytochemical	0.36363637	1.2727273	0.0
2	C16 H28 O9 N4	421.1929	421.1937	0.13748266	421.19296	0	1367	0	0	721	0	0	0	0	0	0	545	1080	0	0	0	874	830	701	0	0	0	846	1470	0	0	0	4344	980	0	652	1243	967	1083	0	720	1247	440	971	0	0	0	0	0	0	0	366	0	1442	589	0	1234	822	0	355	0	0	1163	0	0	311	0	0	380	0	974	667	0	0	0	0	1857	1386	726	0	0	0	516	712	22268	684	0	0	0	0	251	711	751	525	0	5258	1710	1399	2807	0	0	1268	974	0	300	0	0	0	0	0	1026	394	0	508	750	Peptide	0.5625	1.75	0.25
6	C21 H28 O7 N2	421.19693	421.1976	-0.12378678	421.19687	40633	43131	36231	43286	18809	20672	28381	49227	22537	75172	30694	22123	28092	10410	35485	56506	28197	26357	36770	76228	69826	66580	29970	64115	34071	20861	22383	22618	41912	41049	42333	48240	52242	37563	78709	39701	49623	26145	39505	52164	40177	19491	0	0	0	48745	45800	0	50181	41014	44575	41979	21818	0	31775	13360	12549	50176	18645	15974	49368	34797	24524	19328	11106	23439	22071	39062	23245	47675	37413	34480	37284	35109	24785	36771	0	25469	32083	31380	25283	19163	25510	30120	15545	17632	33716	22131	23405	60826	71762	59115	79614	37207	61973	0	42554	38720	10244	12247	15018	48223	22550	59497	29141	41505	13398	0	29282	26946	Lipid	0.33333334	1.3333334	0.0952381
4	C21 H28 O7 N2	421.19693	421.19766	-0.11979345	421.19687	15734	17297	14102	16801	7489	7151	9048	20700	7470	17528	9511	8705	11075	5608	14505	15404	16364	10061	12375	23368	23560	26667	12946	19844	12115	9818	11490	8526	14810	14141	13037	14616	17495	12378	23999	16260	17369	11065	20682	17115	18243	9000	0	0	0	17839	18883	0	16247	16438	15170	12758	8649	0	13797	6044	4760	15325	8976	6855	17795	13056	8533	10966	4720	10949	7707	16907	8799	13731	11316	13477	11617	15436	12100	11350	0	11239	15644	12705	11579	9477	9258	11428	5992	6236	13847	7400	9429	18403	26217	25038	35075	14211	22734	0	15732	17659	6183	7565	7478	17697	8901	21915	10996	14568	7099	0	12630	10973	Lipid	0.33333334	1.3333334	0.0952381
20	C21 H28 O7 N2	421.19693	421.19736	-0.20313963	421.19684	23681	21745	19757	21039	14540	13670	12171	23752	9792	23725	6873	12715	8010	13275	17012	27608	14037	18638	19322	24835	17663	25240	17029	35418	23747	7706	12223	11871	27164	18096	26218	23317	32680	23418	21535	16946	32007	14124	15087	22634	13401	14843	0	0	0	16547	7979	0	21882	18140	22158	16499	13457	0	10280	5058	7593	23699	22314	9105	24707	12244	12118	9441	3493	17653	17498	14613	8959	19449	11531	18810	22984	18194	14053	18952	0	15796	16053	14707	13800	9462	18109	9308	9276	7746	14544	15051	14933	20029	37784	42347	51931	7944	17597	0	17406	20339	7319	8921	4741	30596	14752	24862	10258	23689	11260	0	18089	16776	Lipid	0.33333334	1.3333334	0.0952381
18	C26 H28 O5	421.20096	421.2014	-0.2573161	421.20084	21936	19391	17776	16522	13029	3437	17626	20588	9603	9994	14053	13078	8194	10130	11594	15102	23828	10219	13491	23406	19658	17080	13192	21815	13583	37986	18319	15088	14845	19480	15997	17975	19348	8965	8748	15419	18671	11807	21873	14269	17874	11842	540	0	0	10500	14787	0	16722	18050	15609	19970	9191	0	7788	9241	9695	23074	13863	18457	13387	13433	9851	8150	6674	8749	8436	27653	25529	32650	49086	12841	10856	14670	21022	26546	0	10088	31397	20648	22159	10320	17073	8530	12292	11924	26965	8582	10631	35815	19324	12942	23645	19086	17963	0	15819	16570	14063	11163	15786	20477	13323	11514	8844	17681	10555	0	20687	7346	Phytochemical	0.1923077	1.0769231	0.0
26	C26 H28 O5	421.20096	421.20142	-0.124239706	421.2009	27352	30691	28331	26093	28029	14433	8154	25579	23978	34476	60575	14230	33957	14638	16121	30897	16239	20964	32891	56210	50252	26758	16964	36361	21615	145356	9795	54507	22293	21769	19687	22910	27484	15513	46328	22702	29161	17565	19607	42452	48883	24650	0	0	0	26829	33319	0	20410	22474	32131	28478	23486	0	31074	23537	16975	22751	18676	15411	22654	29615	24169	19958	11969	34958	34068	18558	154423	82889	129042	18159	19890	16614	11605	17616	0	19638	29522	29494	25864	26996	21121	45492	36949	16873	31799	22914	22679	26310	19704	23565	31734	33351	29164	0	30662	38044	25466	35932	32679	25584	16560	28433	23803	28083	20618	0	24954	22486	Phytochemical	0.1923077	1.0769231	0.0
24	C26 H28 O5	421.20096	421.2014	-0.12981592	421.2009	62186	63141	53342	53043	58149	37310	22875	52780	46030	74046	115499	37372	50982	38797	39827	55310	50881	53483	76987	98542	103669	66809	47440	64824	40682	294356	27429	105522	47095	46161	41744	46227	52209	37476	97352	51259	48169	32001	46735	92088	112557	41274	0	0	0	57081	72539	0	51629	45183	57337	67999	51812	0	44980	38298	33160	55997	38360	42691	58831	54400	44481	42963	31611	63687	59086	59147	267988	198008	296589	42883	38717	35843	28740	41551	0	38113	64276	60069	51058	48096	39625	77331	67100	36938	70621	37163	47343	61681	48723	45527	77462	55632	64188	0	62290	65375	45197	45361	56908	60105	29580	68333	43449	60030	47984	0	48673	39587	Phytochemical	0.1923077	1.0769231	0.0
20	C26 H28 O5	421.20096	421.20135	-0.20597564	421.20087	42838	41100	41969	36213	33343	15756	20760	39835	27795	39968	41529	27962	23108	19780	31004	47951	48408	24616	32568	40272	52034	42035	30759	36441	28361	105147	29651	35427	33134	30917	28464	31102	31686	26366	48379	27504	33162	31690	47556	36721	59682	23037	483	0	0	25325	33251	0	28625	31963	38016	37930	26060	0	25797	22147	23391	43397	24073	33434	32992	22350	27549	23411	20133	26859	29194	45201	93466	101109	137219	25802	30369	32186	37020	34497	0	23071	51158	41640	35801	25230	30178	32563	33704	21674	52846	22902	24973	50377	43291	33302	55488	40507	37548	0	29437	33504	24985	32083	29427	35296	21839	41795	17367	33414	29446	0	39632	26317	Phytochemical	0.1923077	1.0769231	0.0
28	C26 H28 O5	421.20096	421.20142	-0.13115345	421.2009	4451	5094	4164	5982	6853	2354	3667	3175	4863	4720	7879	2369	5945	3238	3208	4820	3483	2981	8479	6850	5625	4700	3538	4846	3432	18648	2173	8939	2850	3553	4390	4514	4589	3251	9092	4795	3801	1786	3644	6185	9955	3633	0	0	0	5092	4025	0	4223	5201	4827	5232	4731	0	4201	3465	2421	5231	3185	3111	3566	3349	4365	3037	3059	8022	7633	3497	20326	12727	24698	3144	2826	3395	0	4313	0	2628	4956	5470	3855	4120	3329	8017	6672	3438	7983	3810	3377	4890	3878	3998	5962	7711	3393	0	4142	4768	4015	8344	8127	5731	2264	5549	2319	3956	6172	0	2534	4451	Phytochemical	0.1923077	1.0769231	0.0
4	C20 H28 O6 N4	421.20816	421.20886	-0.08901971	421.20813	3352	3982	3849	4048	1358	3005	2317	4540	1199	1969	0	2368	932	639	4013	4841	3900	1500	1484	1468	2701	4861	2664	4691	3520	0	1654	4294	2504	2392	2761	4355	3749	2617	3588	2728	4006	2284	4936	2137	1783	1357	0	0	0	2314	2380	0	2532	4061	3317	2821	1097	0	1465	463	668	3716	2022	881	2813	1756	1105	848	1180	998	891	2952	0	0	0	2105	0	2749	1815	1560	0	2109	4275	70891	2900	1221	1961	971	611	1161	4952	1680	1067	5554	35704	16040	9765	5074	2078	0	2900	3513	0	0	754	3367	1565	3690	0	3782	1048	0	3155	805	Peptide	0.3	1.4	0.2
8	C20 H28 O6 N4	421.20816	421.2087	-0.16125989	421.2081	6503	8407	5430	7573	1182	3158	3219	6709	1401	2769	2445	2508	0	1320	3931	6347	2591	0	2698	2992	4085	6173	3894	9580	5875	0	3915	16767	4905	4551	6643	6713	6225	3976	3377	4928	5603	2861	5024	3333	3807	2565	0	0	0	0	3942	0	5437	6443	5158	7139	1660	0	1873	1010	1470	6533	1128	2250	0	3475	1492	1114	0	1512	2374	3556	0	3000	2642	4875	3328	3647	3158	3364	0	4123	3794	125308	3194	2007	2139	1890	0	0	8308	2849	1404	10140	96110	20873	15108	16320	4578	0	4334	6035	0	801	0	4149	3564	5355	0	6874	0	0	6001	0	Peptide	0.3	1.4	0.2
6	C20 H28 O6 N4	421.20816	421.20877	-0.23856346	421.20807	7169	6513	4642	8628	2050	3829	5135	4777	2172	4821	3256	2869	1547	1002	4826	7304	5472	2505	2430	3951	2189	5434	6655	6891	6473	0	3441	20138	6710	3900	3813	6292	5290	5299	5983	6125	6185	5221	7250	2964	3824	2115	0	0	0	4111	4908	0	6333	4890	6167	7075	1721	0	1762	594	1471	7350	1443	1729	8671	1719	1699	2166	1267	1742	2248	6166	0	0	0	4735	3008	4111	2788	4660	0	3338	5079	169733	3504	1709	2897	1871	1156	1446	3615	3579	2824	11632	97551	27292	14380	13022	6328	0	6466	6881	952	0	873	6851	3420	5767	0	7668	980	0	5255	2915	Peptide	0.3	1.4	0.2
2	C20 H28 O6 N4	421.20816	421.20895	-0.050616503	421.20813	2682	2794	2593	2203	756	0	2738	3265	1040	1363	1327	2224	771	340	3310	900	4675	861	1309	1583	1580	3669	2477	3435	2243	0	0	4838	4096	1979	2249	2846	4236	2366	2640	2720	3634	3254	3683	1849	2247	0	0	0	0	1475	1796	0	4499	2353	2443	2341	1078	0	1979	351	745	2887	1595	1263	1549	1227	708	1020	0	834	2112	5024	0	717	698	2516	2908	3544	467	3012	0	2403	3593	39393	2867	1311	1780	1363	784	1163	4530	2507	1557	7752	7932	5749	10869	3733	745	0	2150	3442	1075	614	537	2145	2557	2791	1130	4590	616	0	2265	1096	Peptide	0.3	1.4	0.2
6	C17 H32 O6 N4 S1	421.21152	421.21225	-0.28156462	421.21143	976	800	0	0	0	5896	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9342	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28510	0	0	0	0	0	0	0	0	0	0	17338	5940	0	3433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.882353	0.23529412
2	C17 H32 O6 N4 S1	421.21152	421.21207	-0.16800293	421.21146	0	0	0	0	0	0	0	0	0	0	1977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44771	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	110872	0	0	0	0	0	0	0	0	731	0	16126	6012	0	2570	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3529412	1.882353	0.23529412
18	C23 H32 O7	421.22208	421.22253	-0.14735934	421.22202	480873	476795	464538	437610	389979	265811	403995	496772	341626	451925	367499	330932	449620	244367	405602	575049	512518	396496	570849	620469	558055	369874	387435	537144	340740	574581	409709	354444	500765	502146	452935	523402	549355	430186	466291	527581	506736	363710	567011	364388	364987	292070	11671	1473	1254	325011	291445	1900	567702	428955	490991	451161	334236	2609	501332	406648	281013	550057	308893	325394	499046	247658	450228	396817	250594	411821	340001	578739	475516	654213	751837	330195	355552	473736	568555	517480	952	299317	548250	294999	405606	267360	391765	322850	486009	343874	541566	291099	350758	529362	474886	471996	574435	248330	358810	3616	447622	459595	320882	443698	495599	588770	295274	493206	203873	411051	342639	1716	398652	397901	Lipid	0.3043478	1.3913044	0.0
12	C23 H32 O7	421.22208	421.22263	-0.19647613	421.222	28215	27488	26965	26911	10711	10133	30430	27552	14075	15711	13499	18911	6357	9962	21557	37470	36862	6846	15581	21128	10985	18220	19785	30994	21562	13906	32679	0	18223	32328	18081	24280	22627	9452	15892	28189	23143	20442	34664	12949	20300	9938	550	0	294	14129	22245	0	27716	24107	30013	26527	15688	237	15390	15645	12572	34358	14409	18855	39460	8054	13821	11608	8596	10522	13636	38333	0	17255	19001	10804	16183	30483	37239	29320	304	16232	28854	0	23777	11366	18878	7868	20811	10986	33524	5858	10413	55095	18622	16451	24883	10731	20228	0	28813	30394	10097	19386	21019	33792	17696	26151	0	20803	14830	395	27192	12567	Lipid	0.3043478	1.3913044	0.0
26	C23 H32 O7	421.22208	421.22256	-0.08873656	421.22205	117853	103157	104858	98218	103086	84289	54514	120418	109914	155255	79921	53906	168313	69838	100021	112791	58760	152986	186761	196996	188182	119402	79306	112717	100312	135658	49148	91323	120155	97421	103067	98928	140914	88390	213354	120134	170674	79814	67921	123920	76730	68252	4766	0	0	98354	58546	0	114572	90574	112387	102502	83683	0	155780	115800	64515	125691	100713	44217	114881	73536	145813	108257	46465	125909	103684	67723	144772	262947	184944	91134	94030	119510	59448	93134	0	73450	103629	54257	81344	58833	84819	77840	107139	72634	106124	62433	76365	74870	126321	133655	183620	59438	101261	0	110859	121931	64184	103634	109510	142591	63901	124016	77276	93406	69539	0	75716	138998	Lipid	0.3043478	1.3913044	0.0
20	C23 H32 O7	421.22208	421.22253	-0.108751036	421.22205	901546	889583	884959	829468	809364	586792	649869	873359	820141	1165690	735024	545225	859949	511653	818510	970258	716740	923143	1209362	1425990	1408134	786784	660903	914304	657031	1305859	607687	733451	947620	813529	689958	900085	1037296	743608	1229912	898156	1036259	620546	737807	811592	712263	588044	18855	3755	1459	660883	562159	4079	905054	741371	860869	878912	658429	4172	1030330	783271	515647	974261	705682	487647	873440	506396	888902	848316	437857	817407	648615	761913	992592	1732361	1594703	711233	763436	860624	838325	799622	1477	616683	921502	477386	668804	404569	757866	666346	886774	594593	896271	565914	681095	743877	923484	925206	1038473	514325	645794	6406	879626	910645	586262	794460	835117	1053033	565728	965336	473597	776252	702567	4739	624811	971432	Lipid	0.3043478	1.3913044	0.0
28	C23 H32 O7	421.22208	421.2225	-0.17120638	421.22202	23152	20692	20378	23881	27674	13315	21029	21169	21803	30628	18173	13615	33768	18766	17490	24024	23550	29582	35544	34358	31931	22183	20311	20074	15498	35012	26604	22566	25414	26138	21049	21021	33599	18233	34275	28667	30404	13173	23793	18347	20108	17440	2332	0	0	16192	12033	0	23488	21030	23771	20896	21348	0	26612	24944	11773	27741	15447	9461	25672	10524	29919	21923	12544	30798	18595	26383	28947	53418	53112	16215	33161	19976	15065	18806	0	14550	20684	11635	15762	7072	15464	14982	22565	12353	26538	14958	18440	22819	25015	28399	26660	11718	23128	1652	24163	26430	13305	23448	30399	32520	13747	22646	11651	19256	17295	1490	13642	21557	Lipid	0.3043478	1.3913044	0.0
14	C23 H32 O7	421.22208	421.2226	-0.16854836	421.22202	81602	77093	75459	80174	47228	30773	93906	84632	52827	55675	54499	62450	43969	36377	65144	91377	107730	43120	58160	76178	63977	72559	57435	99109	62069	67803	73660	33962	62302	78991	63681	73040	70695	45877	64124	78355	61553	65727	118426	37454	69027	41022	0	565	518	55497	74064	666	79664	68634	66861	76482	40065	356	66092	59623	44156	92830	57633	70528	88404	27840	54017	45533	39226	45016	42094	100986	66194	71353	91949	45110	54731	80891	104939	78375	428	50470	107558	41557	77162	44345	68166	42253	71258	51270	96632	37589	47408	155703	64338	69573	99102	43316	58201	1172	77746	81404	45909	77641	83500	88608	56553	89038	31121	70635	53134	639	77758	48367	Lipid	0.3043478	1.3913044	0.0
24	C23 H32 O7	421.22208	421.2225	-0.083039545	421.22205	531364	525638	486640	537541	454759	397119	276622	495109	508956	995991	429782	236650	704425	286979	437462	459994	236253	728207	903706	1119711	952697	538404	381693	496136	386207	647645	225416	462022	525814	416724	418381	487456	623502	413376	1198237	510950	757238	331008	275021	624477	314849	295496	13911	3775	0	451864	245866	4728	516805	365353	512471	457814	393268	0	757974	454801	258908	496503	480764	174881	498957	397745	632217	517226	192599	550541	384268	259746	548494	1256041	751245	436664	417239	479295	251215	413315	0	358063	412638	213920	326679	263296	378270	354922	431004	304350	411152	255262	388047	281773	661686	693341	671395	310277	531723	6588	513237	520334	304070	385295	398105	558609	260418	574584	291693	443875	324687	3084	305196	678328	Lipid	0.3043478	1.3913044	0.0
16	C23 H32 O7	421.22208	421.22256	-0.17993203	421.22202	178527	199325	197423	186881	141834	110273	184248	208684	149509	168255	128423	138772	151502	90339	171399	249224	248821	141685	197156	220385	217045	157670	174921	212469	155091	207223	189585	122022	189401	190936	175078	196293	213140	126029	164837	217654	180361	153196	278782	123698	165523	126338	4742	1116	863	137321	151910	1081	202833	190737	182697	195534	137777	1300	189125	155600	123388	236136	136902	155273	237030	90239	173093	139407	96869	142711	127641	250762	166561	211158	259602	141371	151875	209631	256106	196082	456	139665	258509	129962	181987	116338	190226	123604	213598	131302	250509	109672	124051	345806	183027	185064	279978	125017	156462	2380	209530	203327	125405	188285	236282	219973	128949	192033	93868	205552	150932	891	187204	151655	Lipid	0.3043478	1.3913044	0.0
2	C17 H32 O8 N4	421.22928	421.22998	0.046055973	421.2293	0	0	0	1211	0	0	0	0	0	0	0	0	0	0	0	0	665	449	0	0	0	0	0	0	0	0	0	9344	536	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	812	0	0	0	0	0	0	0	80226	0	0	0	0	0	0	0	0	0	0	13463	5451	0	4344	0	0	0	683	0	0	0	0	360	0	0	0	0	0	0	0	Peptide	0.47058824	1.882353	0.23529412
6	C22 H32 O6 N2	421.2333	421.23398	-0.12538585	421.23325	10129	11253	10841	12187	2021	3179	7456	15325	1854	16466	8349	4804	2555	1687	9330	13368	9069	3012	6640	26833	29349	12732	7052	13531	10998	15208	5672	6733	8996	12195	10886	10281	10257	9206	16732	10179	11951	7746	10927	17493	20307	3962	0	0	0	10096	7267	0	13587	11061	10499	9757	3445	0	4266	1847	1212	17074	996	959	14472	9493	1318	3658	2204	3930	3046	12642	10294	22126	19290	11249	9393	9685	7414	7771	0	4689	6424	6348	5132	1577	2232	12227	2104	2127	7853	4442	4187	23830	17046	9911	26544	8037	14050	0	7912	9438	1186	542	916	11738	5341	11608	0	11502	1133	0	8661	2203	Lipid	0.27272728	1.4545455	0.09090909
18	C22 H32 O6 N2	421.2333	421.23373	-0.23651572	421.23322	14354	10355	14038	11823	4457	4675	8367	11161	4077	10916	3433	5362	3336	3952	5371	15159	8947	4942	11328	12743	10441	10429	7585	15342	8268	3811	9246	5847	12207	14645	10315	12590	17424	16909	10081	18556	16583	8149	13770	8966	5973	6483	0	0	0	9740	6940	0	17331	9514	10065	4564	6041	0	5207	0	4136	18331	4872	8800	18039	4791	2928	3878	2317	4829	7228	16021	1695	8124	5748	12230	7390	9286	13806	14900	0	8704	5830	7090	5157	3659	7789	4978	2290	2367	9488	7371	6725	51283	34952	29038	24841	5496	15284	0	12974	8487	1577	3068	1931	18049	7927	9508	5155	14866	2693	0	10684	2553	Lipid	0.27272728	1.4545455	0.09090909
10	C22 H32 O6 N2	421.2333	421.23386	-0.1395765	421.23325	8947	11861	9917	12452	4762	7945	7833	15608	3036	14631	4464	6992	2577	4032	9339	19738	10911	5123	7505	17085	14690	18791	9172	18799	10535	6595	7152	5881	13871	11584	11300	17605	17566	12228	16828	14472	17977	11362	13856	17101	6741	6371	0	0	0	12707	10355	0	19581	10428	9324	10962	4733	0	6686	2508	3111	21549	0	2236	19646	4157	2562	3726	2329	5413	4940	15686	0	14597	7436	12199	12501	14364	12062	10344	0	9961	5813	7646	7472	1862	2453	6414	2372	2906	11240	6296	5469	22164	25999	13187	29349	7106	15796	0	10550	8859	1650	1479	2691	16382	6631	14510	0	18349	1911	0	10566	4473	Lipid	0.27272728	1.4545455	0.09090909
8	C22 H32 O6 N2	421.2333	421.23395	-0.058265615	421.23328	13228	15192	12148	10616	3504	4398	9046	15935	3205	15300	8969	7106	4134	2393	9436	18626	11019	6234	7788	30536	24390	15070	8484	16777	12864	8656	8994	7901	13054	11034	17540	17066	16174	11735	20983	13873	20229	8110	15729	21693	9573	6883	0	0	0	8734	7374	0	23586	15233	9863	12026	4609	0	5411	2505	2963	21941	0	0	20331	9949	5253	3810	3219	6645	5694	21512	4940	13922	9788	15349	12593	12780	11263	17287	0	7746	9845	8103	7612	1559	2179	12338	1086	4110	8842	5847	8775	22918	31894	16368	31516	9792	15715	0	12654	11871	2813	1923	1994	16242	9095	12753	0	18537	2344	0	10255	5882	Lipid	0.27272728	1.4545455	0.09090909
14	C22 H32 O6 N2	421.2333	421.23386	-0.1000687	421.23328	9746	11111	8407	8993	1654	4927	6976	11780	2973	6355	3331	5951	2087	3910	5564	15769	14118	1801	6239	5432	7164	9372	5325	11126	7091	2850	5319	0	8439	8771	9708	10878	18242	10291	11834	15343	21249	6783	13075	11317	4507	4125	0	0	0	9779	6186	0	13224	9692	6660	7585	4625	0	2926	2394	1946	17164	0	0	0	2855	2853	2719	0	3223	3156	12966	0	11839	5118	9462	9928	7486	10204	6661	0	6289	6357	0	4128	1796	2914	5983	1205	2747	11081	6411	4356	22545	18716	10298	24640	5810	7693	0	6386	6382	1165	1882	1466	13209	5594	8892	0	13496	1197	0	7773	0	Lipid	0.27272728	1.4545455	0.09090909
20	C22 H32 O6 N2	421.2333	421.23373	-0.24508524	421.23322	9090	8131	9673	6167	5969	3018	6092	11441	3510	3274	2383	7539	2852	2576	6461	14047	9968	4083	5989	11573	6990	8637	6162	13141	9237	2486	4944	5887	14294	10125	10524	13695	15116	16102	7707	13409	14115	7337	14919	8215	11022	5593	0	0	0	8343	7679	0	11244	11234	7516	8753	5290	0	3582	1893	1842	14994	8746	6866	15306	4758	3943	2901	1705	3883	7149	12702	0	4558	6673	8257	12348	12297	11618	9576	0	7465	6579	6405	3683	5372	9283	0	2015	3856	9112	7516	5980	30879	30100	22034	18371	5522	9731	0	8858	6801	4144	2392	3500	14918	7987	15467	7422	12934	3808	0	7369	0	Lipid	0.27272728	1.4545455	0.09090909
16	C22 H32 O6 N2	421.2333	421.23376	-0.23858857	421.23322	8192	9484	6083	10843	1936	3548	7346	15315	1745	6253	3213	5076	2072	2019	8566	11774	12008	2522	6223	13174	7623	7202	5326	11100	8053	5999	8310	4270	13862	10352	11229	15709	15622	10028	8849	13465	14902	5496	14180	10324	9182	4387	0	0	0	8443	6603	0	16776	10978	7835	5304	3669	0	0	1157	2400	14140	0	6316	10064	4317	0	1728	1057	3388	5505	9956	0	6096	4436	10814	11266	13169	13024	12763	0	7087	7668	5981	7171	3365	8061	4436	0	2731	4972	7017	4152	0	24209	17142	0	5165	8895	0	5240	11806	1404	0	2142	12789	4713	8601	0	23913	2805	0	8867	0	Lipid	0.27272728	1.4545455	0.09090909
26	C27 H32 O4	421.23734	421.2378	-0.15456802	421.23727	47120	55759	50301	45878	63374	25430	36043	62451	47674	33439	77851	43841	40702	29922	49982	68712	60704	34509	59934	67605	52433	49352	42970	67089	50834	206237	34204	74494	62279	69064	55206	60208	67880	43595	45629	82077	58184	37499	61301	56632	69273	42828	0	0	0	46448	41481	0	51123	70486	56730	53838	53867	0	43221	45975	37385	59001	35732	35234	63398	38494	38504	37464	17936	49790	59725	67010	159030	96737	130392	43630	41565	59527	47306	54881	0	41540	63209	63618	43220	36535	45852	60946	63894	35353	75159	40295	42351	60607	41692	40758	67878	54986	42032	0	51831	59090	32686	63410	70610	99993	33631	65299	34610	53001	59646	0	54619	35959	Phytochemical	0.14814815	1.1851852	0.0
18	C27 H32 O4	421.23734	421.2378	-0.17936885	421.23727	6476	5262	3495	9980	3206	1810	6980	8118	2691	0	2603	4782	1479	2421	5244	8133	19480	0	3510	3093	0	3486	4460	5163	5959	3966	9243	1855	3569	5961	4826	6258	9011	0	3257	6131	5154	7478	20544	2428	4615	3363	0	0	0	3030	3868	0	6680	5824	6067	6875	3861	0	4918	3115	4703	7160	2869	11369	5893	1819	0	2323	5118	2595	2610	18618	4626	5974	7139	1219	3363	8884	13074	7192	0	4586	14453	3334	9941	4234	6332	3334	10915	2764	13006	3638	2792	15314	4983	3853	10474	4669	2780	0	8508	5348	3309	8046	9906	5364	7085	3750	3343	6225	3713	0	9114	0	Phytochemical	0.14814815	1.1851852	0.0
20	C27 H32 O4	421.23734	421.23776	-0.24907637	421.23724	19921	19593	16952	21753	18347	7588	23931	20610	13201	12587	14815	22054	6932	12361	20497	30127	49107	8383	16757	12398	12297	17354	15319	22293	21347	22065	24990	12072	14911	22938	15582	17894	20903	15970	9948	20132	18217	17937	54328	9483	19313	8790	0	0	0	8312	13511	0	20116	22916	17276	22955	15172	0	13304	16908	13786	19357	13162	25737	12088	7643	11928	9819	12798	6993	10093	44732	19096	24086	36101	9200	10593	16795	34857	21276	0	15873	35274	14871	25974	7722	21540	0	26776	15136	36367	15395	11960	50839	16909	14711	23542	9441	12129	0	20312	18114	16369	26411	27671	24240	14689	14109	6749	15130	17894	0	26627	6611	Phytochemical	0.14814815	1.1851852	0.0
12	C21 H32 O5 N4	421.24454	421.24466	-0.352311	421.2444	0	2732	3424	1818	0	2321	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1136	0	0	20422	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2020	2823	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	80770	0	0	0	0	0	0	0	0	0	0	219706	73293	0	11688	2455	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.5238096	0.1904762
8	C21 H32 O5 N4	421.24454	421.24506	-0.39962378	421.2444	1756	0	0	0	0	4850	687	0	0	0	0	0	0	0	0	1303	0	0	0	1361	0	1299	0	0	749	0	0	29592	999	800	0	0	0	989	0	0	0	571	0	0	0	1176	0	0	0	0	0	0	0	0	1124	1240	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1250	0	0	0	0	0	0	0	0	0	759	0	117080	0	0	0	0	0	0	0	0	632	1630	92760	33382	1607	4759	1619	0	1053	0	0	0	0	1359	0	0	0	0	0	0	975	0	Peptide	0.23809524	1.5238096	0.1904762
10	C21 H32 O5 N4	421.24454	421.24496	-0.1563136	421.24448	4358	3040	4404	4516	0	4531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1182	0	0	40658	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2947	2307	0	0	0	0	0	1262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1082	0	0	0	0	0	331169	0	0	0	0	0	0	0	0	0	0	390455	101384	0	27218	3040	0	4242	4509	0	0	0	0	1932	0	0	0	0	0	0	0	Peptide	0.23809524	1.5238096	0.1904762
2	C19 H36 O8 N2	421.25446	421.25555	0.008247764	421.25446	2200	1572	1748	1350	846	0	1102	2500	790	0	0	2296	2342	0	2604	2778	2054	1544	1050	0	0	0	1336	3630	3932	0	0	3020	1464	0	1148	0	0	1412	0	0	1292	1940	2622	0	0	0	0	0	0	0	0	0	0	1054	0	1372	626	0	912	0	0	2418	0	0	3762	0	776	656	0	1210	832	2574	0	0	0	1884	0	1150	864	990	0	2086	2288	29776	0	0	0	0	0	0	1524	992	1416	52610	13482	0	40692	912	0	0	1542	1526	0	0	0	0	2476	0	0	12070	0	0	6664	0	Lipid	0.42105263	1.8947369	0.10526316
26	C24 H36 O6	421.25845	421.25894	-0.11644218	421.25842	184750	164513	178994	171766	167052	105002	215362	172981	181525	173222	154675	95326	212309	136278	142779	232996	133304	211478	325252	282288	239899	169381	114287	143435	179233	191203	183708	196898	204988	189116	152616	188257	253326	149607	265978	220870	251121	123455	155097	183458	129661	125548	4787	0	0	144245	106314	0	185623	153862	190735	174262	143741	0	268646	210224	112957	212667	182697	91700	206815	135498	190012	172689	95377	208414	220183	175735	182176	300739	221818	115791	148472	223303	138113	194405	0	118547	151166	126861	86560	115125	188684	153291	196465	152474	206315	109995	153799	159192	253782	291193	203084	121491	183521	0	174739	177443	109953	204024	211685	271534	107555	208205	177755	144155	153316	0	139394	164207	Lipid	0.25	1.5	0.0
20	C24 H36 O6	421.25845	421.25888	-0.18689482	421.2584	94650	95825	96453	88903	80261	47293	147721	88056	70539	57181	55914	73295	65595	66501	75836	141169	181594	77489	120011	68429	71930	61868	62245	81603	68130	90592	128993	59671	111398	103777	78843	120284	108622	70298	67479	111332	105745	63551	169471	34839	60357	64148	6734	11935	3219	48325	53571	10569	104560	88175	94393	95574	78162	2450	93435	90132	71989	121060	45680	67444	99876	26528	87700	71318	64958	82317	78100	175577	55792	61350	97097	60107	87026	115466	174948	115884	2449	58180	110117	56313	65252	34972	133745	115623	115010	82972	132308	60031	85538	163821	97586	83913	104350	43053	49541	11446	93728	107758	64183	128116	129601	139379	54748	77473	42516	84119	87311	10743	87680	72268	Lipid	0.25	1.5	0.0
28	C24 H36 O6	421.25845	421.25888	-0.1850154	421.2584	21192	18833	19274	19261	21185	10543	34075	17714	20736	15090	16350	10386	25764	16891	16823	19528	21998	18334	37633	23329	18947	17865	18276	19567	24788	29064	30684	24576	26075	22233	15207	21426	30213	17680	27439	27886	27977	16182	25000	17501	15172	14209	1601	0	0	15338	10037	0	22325	14551	20232	17666	20649	0	34098	25484	14073	26276	27205	9427	22518	13830	23173	18064	12577	32295	31259	25544	22094	29375	27958	11559	13929	22097	9818	19039	0	11025	20701	18812	12845	14954	22777	20409	24135	18492	34214	9375	14820	22815	36311	35755	28467	18204	14507	1767	21906	22955	13789	31656	34440	33024	9702	23644	21201	20413	17851	0	18414	17103	Lipid	0.25	1.5	0.0
24	C24 H36 O6	421.25845	421.25885	-0.1573392	421.2584	317006	323659	323578	306479	305064	202711	451111	313099	284322	343002	258095	166945	325542	237625	228484	351446	313392	343941	556568	431870	391339	256785	198100	218137	256466	359428	412032	279654	349957	288088	242837	335745	417343	277490	414444	366335	420251	208180	353449	261872	241904	202204	12901	0	0	218968	183179	0	342350	223051	304885	313210	266512	0	427051	296193	190093	379108	231950	152405	368555	186393	341807	295214	177488	360316	324656	335039	248378	439586	411732	211765	313877	339383	290162	325257	0	192705	278456	187486	171421	174404	338362	293257	330140	249492	332915	210256	291664	365988	414957	392150	383999	197018	270397	2416	314298	324458	192533	322070	334298	460939	167901	326138	196478	284330	248006	0	240116	304317	Lipid	0.25	1.5	0.0
18	C24 H36 O6	421.25845	421.2589	-0.16411687	421.2584	30740	33080	29092	32681	20714	15650	47354	27909	20987	16476	17449	22525	18543	19415	23721	53600	71734	15573	34687	7085	15321	14831	22231	25801	23891	19787	49883	13056	40200	36128	26114	40274	28357	32195	10360	44292	27628	19660	83085	9199	15628	18107	1097	445	291	8336	14383	476	37721	24823	31544	34015	23121	655	25569	27928	19626	41528	13866	21651	27047	3621	27979	20309	26877	23387	27268	77963	13725	8403	21547	17089	16844	36961	69192	40020	0	21499	39351	15848	27106	10583	32535	25864	45325	28420	50460	19252	23357	62477	24569	28474	36284	9337	13499	516	28712	34723	21015	46747	44366	46261	17092	20144	10791	26473	26759	382	32790	10722	Lipid	0.25	1.5	0.0
28	C28 H36 O3	421.2737	421.27414	-0.20339331	421.27362	15790	14989	12167	12618	21008	6002	16216	19002	13986	2083	10053	9926	11543	9745	11365	17708	28531	8114	21801	8010	5334	6238	12243	11256	16753	20162	17153	11717	22738	35475	19749	19389	26616	13320	5680	33748	15692	13509	24575	5049	8746	10342	0	0	0	6563	4104	0	15854	22167	13775	13166	16988	0	17788	16650	9184	19471	8748	6204	15041	4095	7829	12979	7563	12890	17288	27569	15611	6688	7726	6862	10953	29400	14781	23128	0	11095	20534	13888	12745	7375	10812	7407	32591	13214	32303	9015	10523	23072	11561	10654	16911	10625	5965	0	13907	14996	13279	36625	39512	35539	8975	16183	7665	16700	26061	0	13776	6579	Phytochemical	0.10714286	1.2857143	0.0
22	C28 H36 O3	421.2737	421.27414	-0.19741602	421.27365	11803	11736	7807	12853	10604	6140	13931	16855	7028	1879	3529	12710	0	10682	10114	18838	55532	3089	8745	2867	2665	3478	7483	8800	9037	5540	17969	5624	13262	22444	12238	14840	12149	5968	2463	18541	11178	14658	50887	1837	7203	8996	0	0	0	0	4632	0	13209	17686	12188	9830	12360	0	8060	13399	11224	11076	3875	13929	10018	2229	6055	7536	9667	4514	9099	59183	4350	0	7800	2867	6662	20535	41503	20354	0	9566	20632	6817	14911	2275	11151	2185	21386	15888	27076	7453	5775	37009	10377	8257	7776	4268	2323	0	10217	9738	11518	24590	23982	18024	11895	8575	2807	8663	18750	0	14193	2916	Phytochemical	0.10714286	1.2857143	0.0
26	C25 H40 O5	421.29486	421.2953	-0.18567291	421.29477	66914	68020	70434	60308	45626	22866	398089	65169	31403	30738	53829	39849	30996	85618	55704	126106	85906	25708	67010	45021	31123	38275	22085	26222	66784	66164	355734	90274	95933	136579	70423	97058	146726	45610	57654	127647	115290	45336	83323	31664	47061	40496	0	0	0	30917	26229	0	194260	85801	74442	67621	82149	0	45990	43306	35898	194172	89918	45901	149608	66536	48482	26018	59077	73675	105826	88420	26665	42513	45501	28241	33400	157376	53559	96057	0	66482	41966	62420	25152	49941	95104	81788	46322	51271	104753	34885	56564	104781	97336	92260	54086	36590	37446	0	72507	69635	31005	50304	64410	164026	44252	70576	97937	75690	34198	0	55514	31004	Lipid	0.2	1.6	0.0
28	C25 H40 O5	421.29486	421.29526	-0.21017413	421.29477	17337	15759	14564	17334	11501	5366	106595	16524	11081	6495	19803	6323	10203	19027	12230	16603	16392	9755	15322	11967	7887	13645	9104	6994	28995	18366	88821	32237	21994	21511	13455	19876	26431	12869	12903	24099	26278	12367	18946	10384	11117	12883	2363	0	0	9946	7115	0	21691	14526	14411	13380	16647	0	21767	16086	15154	28037	48328	11851	22214	27776	12146	12371	14735	26100	25389	27882	10837	9379	7546	6078	10431	20784	10352	13513	0	9996	15204	33149	7114	14963	22494	20622	24234	14428	59572	8500	15264	23637	32292	35573	15085	25707	11657	1146	18601	13359	9773	23468	30342	31915	9359	23050	42139	18102	17286	1447	17569	7458	Lipid	0.2	1.6	0.0
26	C29 H40 O2	421.31012	421.31042	-0.20387171	421.31003	8941	10697	11359	12033	8452	0	16262	20827	7551	0	0	20835	0	7688	19857	19092	59581	0	6741	0	0	8861	10084	5008	18766	0	20807	3350	18519	41345	18531	18175	8224	5938	0	29694	9858	28269	47630	0	2154	0	0	0	0	0	0	0	15706	42056	14649	10824	5716	0	0	11625	9713	17946	3431	7602	12490	0	0	5627	9606	2687	7848	65391	0	0	0	3421	5496	42035	31624	29638	0	13660	28086	29195	15238	4913	6241	0	22268	15229	63147	6192	9059	65440	13015	19858	10264	28109	20722	0	13526	13000	10615	30444	24619	18553	14278	6748	0	9054	18330	0	23067	0	Lipid	0.06896552	1.3793104	0.0
24	C29 H40 O2	421.31012	421.31042	-0.23728706	421.31	6781	7152	7375	4614	1500	1078	10452	8834	2381	0	1307	10595	0	4614	8216	14173	43843	0	1889	0	0	22408	2287	1130	8930	0	11087	1573	5567	16032	6756	7054	6746	1153	0	11193	3565	11666	42120	1399	3163	0	0	0	0	1273	2056	0	6075	13693	6021	6922	3653	0	0	3589	5882	7666	1514	4734	6309	0	0	1947	4551	1867	4075	49745	0	0	0	1275	2737	10180	20594	10776	0	5769	15323	41891	6811	1897	3011	1308	7467	6123	27690	2141	3785	51396	16404	15731	4013	35661	26335	0	7194	5940	4875	8356	10075	9669	8299	2835	1539	6471	11047	0	11145	0	Lipid	0.06896552	1.3793104	0.0
28	C29 H40 O2	421.31012	421.3105	-0.13706048	421.31006	7163	6638	6197	5305	5081	0	12361	10250	5817	0	1349	6862	1950	2234	6632	8534	20789	0	7544	0	0	1634	4479	2502	14245	0	14397	2434	8636	20584	8943	12754	8976	3034	762	19136	5788	11687	19855	0	962	4348	0	0	0	0	0	0	9480	17257	6176	6095	4121	0	4915	10180	4684	11468	2527	2756	6335	0	1097	3811	5357	2573	5250	24400	0	0	0	1280	3779	22446	12477	13013	0	6320	15845	7837	6992	2498	3035	1296	17070	7418	44997	2542	3058	37265	2315	2427	6622	5584	0	0	8953	6821	6633	23789	22630	13453	8045	2615	0	7443	14076	0	14907	0	Lipid	0.06896552	1.3793104	0.0
28	C26 H44 O4	421.33124	421.3317	-0.09387065	421.3312	7098	4360	5708	4312	3890	3105	103104	5685	2261	2252	18969	4673	2626	22350	4886	3699	6264	3030	3600	5646	3479	3050	3868	4400	5471	18972	69623	13303	9462	4868	3370	4129	3829	4244	3016	7318	2661	5785	6248	2191	6405	4710	2990	2957	7861	5041	3808	3361	3200	6330	5823	5566	3808	6641	3076	6887	6533	3240	9980	8881	15343	8179	5360	2919	24976	4031	8916	6771	15525	3783	4376	3419	3306	8973	3372	4849	6099	3417	5168	25662	4267	11017	10758	11543	3606	3462	10107	1743	2836	3758	8037	7178	3867	6988	4066	2459	6753	5782	8482	2755	6947	7233	5535	14561	12527	3162	2930	2775	5416	3149	Lipid	0.15384616	1.6923077	0.0
26	C26 H44 O4	421.33124	421.3315	-0.25512064	421.33112	6405	5382	11117	5826	0	0	191075	0	0	0	11622	4083	0	35765	0	0	7914	0	0	0	0	0	0	0	0	18423	179573	19206	0	8365	0	4908	0	0	2336	6967	2514	4179	12917	0	8005	0	0	0	0	0	0	0	4171	0	6418	7609	2708	0	0	0	6876	3815	5676	12146	20285	6026	10312	0	34354	2362	14683	7824	12030	3360	5037	0	3309	0	0	5043	0	0	2002	17112	0	12410	20888	24963	0	0	9901	0	3715	8735	8790	5106	0	2465	0	0	6398	6968	10558	0	0	0	2893	10450	11108	1628	0	0	3210	2108	Lipid	0.15384616	1.6923077	0.0
24	C26 H44 O4	421.33124	421.3312	-0.19472547	421.33115	0	0	0	0	0	0	28210	0	0	0	0	0	0	4145	0	0	1601	0	0	0	0	0	0	0	0	1939	24110	1973	0	0	0	0	1282	0	0	0	0	0	1060	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	933	2297	0	0	0	4402	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2003	0	1580	3545	3999	0	0	1029	0	0	0	0	0	0	0	0	0	0	1589	1395	0	0	1465	0	0	0	0	0	0	0	0	Lipid	0.15384616	1.6923077	0.0
22	C18 H15 O11 N1	422.07178	422.07233	-0.045998663	422.07178	4215	3193	3434	2208	5408	3643	1132	0	8968	0	1477	1154	12588	0	1490	0	0	7030	6194	1851	1872	7845	4966	0	0	0	0	0	0	0	0	0	0	0	5555	0	0	1240	0	1304	4063	2112	0	0	489	4002	11272	0	0	0	2155	3474	5392	397	7725	9363	3011	0	1176	1390	1265	0	21619	10896	1962	8000	2129	0	1610	0	0	0	0	0	0	0	525	0	5574	7962	3074	4136	0	0	11913	3887	2958	2189	1520	1824	0	0	1901	8907	7856	0	2168	2637	4694	7573	7945	1711	1126	0	3093	0	6011	0	1220	18868	Phytochemical	0.6111111	0.8333333	0.055555556
20	C18 H15 O11 N1	422.07178	422.07236	0.14481886	422.07184	4439	4007	4830	2727	11710	5080	2371	0	13512	5440	0	1884	32058	4982	0	0	0	15820	9175	5560	7279	15657	3035	3048	0	0	0	0	0	0	0	0	2080	0	11001	0	1724	1814	1785	2239	6820	2519	877	0	0	4057	16179	1349	0	0	4054	4932	5666	0	16420	13880	5898	0	1667	1309	0	7856	21271	16431	4302	14692	3958	2065	1457	1510	3514	0	0	0	1761	0	290	0	4488	11097	2597	7784	2547	0	20624	7859	4355	2947	4974	2671	0	2869	0	21996	15971	0	4406	4678	7730	16321	16372	1962	2341	0	9406	2387	13785	0	1485	23337	Phytochemical	0.6111111	0.8333333	0.055555556
10	C18 H15 O11 N1	422.07178	422.07248	0.064693734	422.0718	4140	4073	3674	3675	10540	2957	0	0	14519	4169	7354	1206	20303	1754	1166	0	1032	9530	8789	3288	9011	14419	2798	0	0	0	0	0	0	0	0	0	2531	0	11791	0	1283	0	0	2928	8796	2838	0	0	0	0	8636	0	0	0	4992	2376	4507	0	11688	10695	4588	0	0	2601	0	4646	26375	15982	3927	15574	3833	1325	0	0	0	0	0	0	0	0	0	866	2134	4727	2375	2821	0	1172	12597	3622	1756	3859	2710	3653	0	2243	1834	17487	8017	0	2469	4558	5701	17385	10154	1934	1521	0	0	1449	6248	0	0	23247	Phytochemical	0.6111111	0.8333333	0.055555556
16	C18 H15 O11 N1	422.07178	422.07236	0.10040376	422.07184	10291	13854	12054	15771	27070	9871	1248	3058	28985	17331	10911	3795	56722	9460	4931	4176	3561	33172	29621	13784	29432	46825	8811	3432	0	0	1475	2720	0	0	1708	0	5096	0	29474	0	7881	3982	2509	10363	27654	9561	299	0	0	9646	29452	484	2308	0	10980	9825	16209	0	36253	33044	10299	0	1719	5315	0	18187	54602	34035	7590	29303	10436	0	4503	2207	5372	0	0	0	3379	1355	0	5349	7389	30823	7170	10658	1020	3186	33732	9741	7329	13158	7205	0	0	5421	0	50929	32799	0	14271	13298	18816	28976	32290	4826	3511	1950	18169	0	21518	0	2676	54307	Phytochemical	0.6111111	0.8333333	0.055555556
26	C18 H15 O11 N1	422.07178	422.07227	-0.051417395	422.07178	2319	0	2860	4383	5066	4149	0	0	7095	2835	0	0	20203	2045	0	0	0	15300	7284	0	0	6241	0	0	0	0	0	0	0	0	0	0	1508	0	2384	0	1775	0	0	0	2693	0	0	0	0	0	0	0	0	0	2290	2676	4301	0	7574	8164	0	0	0	0	0	0	16791	9023	0	7226	0	0	0	0	1828	0	0	0	0	0	0	0	3856	0	3296	2829	0	0	10663	0	2456	0	0	0	0	0	0	6342	7877	0	0	0	3383	6470	0	0	0	0	0	1710	4476	0	0	18829	Phytochemical	0.6111111	0.8333333	0.055555556
12	C18 H15 O11 N1	422.07178	422.07245	0.083992556	422.0718	6134	10787	6007	8218	19975	3729	0	0	22052	13854	15883	3180	27888	4054	1260	1961	2739	14826	17325	7163	24241	40593	6778	3448	0	0	0	0	0	0	1734	0	2449	0	23490	0	2804	2332	2856	7675	33274	6157	0	0	0	5814	17460	0	1225	0	5967	11616	9101	0	24255	22834	9107	0	0	8088	0	8517	52136	27964	6821	22023	7156	0	0	1335	2980	1102	1367	0	2234	1151	0	995	3251	0	2710	6035	807	2014	17846	5895	4674	6011	6233	10231	0	6111	6740	51053	22757	0	6351	8731	15802	23769	19793	3194	3063	3078	0	3112	12404	0	0	43998	Phytochemical	0.6111111	0.8333333	0.055555556
14	C18 H15 O11 N1	422.07178	422.07242	0.002924258	422.07178	11006	12287	12232	10975	27828	8688	0	0	29826	13876	20039	4391	45052	9654	4228	3685	5442	29590	27704	12587	29743	40852	10092	3907	1226	0	1859	0	2225	0	1460	0	7898	0	30323	0	3242	2155	2998	14886	37966	8894	0	0	0	9986	31446	0	0	0	11661	13209	14801	0	38865	26920	11113	2851	0	0	0	19193	63817	42010	10784	34642	8421	2890	0	0	5945	0	1164	0	0	0	0	2290	11351	25177	5526	11800	1201	2685	30390	12968	7623	11912	10874	8866	0	6953	6595	64575	31958	0	14131	15542	19266	36537	29577	4144	5594	2290	0	6270	18775	0	2054	53132	Phytochemical	0.6111111	0.8333333	0.055555556
18	C18 H15 O11 N1	422.07178	422.0724	0.06136457	422.0718	5416	9095	8319	6389	19700	11044	0	1562	23286	9208	6759	2755	47873	7793	2919	2086	3465	22156	20647	8549	20065	31712	7796	1993	0	0	0	1467	0	0	0	0	2915	0	8473	0	2198	2888	1954	7159	14915	3744	701	0	352	5343	18308	485	0	0	11707	8107	12868	0	29297	20411	7561	3501	1508	3206	0	15162	45314	23272	7108	28553	9146	2060	1550	2577	2546	0	0	0	1547	0	0	1380	6220	17826	6682	9868	1179	1779	33094	11815	4764	7743	6862	6296	3018	5478	11906	31407	24821	0	10439	7378	16742	22593	22445	3645	2892	2547	7964	4202	14142	0	0	36516	Phytochemical	0.6111111	0.8333333	0.055555556
18	C22 H15 O8 N1	422.08704	422.0876	-0.046777815	422.08704	4967	3404	5140	0	3544	0	0	0	3248	12751	12238	0	0	0	0	0	0	1974	5004	7635	8231	9088	0	1731	0	16649	0	3779	0	0	1656	0	0	0	11263	0	0	1305	0	5141	13607	0	0	0	0	4479	8988	0	1632	0	3360	3343	2279	0	4133	1967	0	1904	0	0	1750	4995	6275	0	1762	3953	1659	0	16778	16939	32918	0	0	0	1569	0	0	0	1809	7226	1114	5039	0	7512	1410	2462	1755	2137	1230	3799	0	0	2373	18757	10620	0	1892	2075	6589	2806	3952	1526	0	0	2873	3142	1447	0	1193	0	Phytochemical	0.36363637	0.6818182	0.045454547
16	C22 H15 O8 N1	422.08704	422.0877	0.08256001	422.08707	0	2672	0	0	1375	1664	0	0	3064	7037	5562	0	0	0	0	0	0	0	2756	0	5734	2767	0	1830	0	10404	0	4436	0	0	0	0	0	0	8947	0	0	0	0	4952	4455	0	0	0	0	1885	6664	0	0	0	1542	3251	0	0	0	2017	1089	0	0	0	0	2843	2248	1591	1172	3031	1159	0	12389	10574	20942	0	0	0	0	0	0	0	1913	0	0	2938	0	2056	1643	0	0	1218	2563	0	0	2219	0	8021	6383	0	2114	1927	2669	2161	1346	0	0	0	0	0	1730	0	0	2444	Phytochemical	0.36363637	0.6818182	0.045454547
20	C22 H15 O8 N1	422.08704	422.0875	-0.08104439	422.087	3013	3463	2235	2616	3447	1246	0	0	3537	11326	10854	0	0	3182	0	0	1539	6888	2476	2088	13394	11836	0	0	1684	9275	0	4181	0	0	0	0	0	0	18164	0	0	1171	1886	8825	14336	2582	0	0	0	7555	11683	0	0	0	4287	3393	3132	0	0	1711	1541	1693	1342	2859	0	7462	5351	2437	2177	3079	3953	0	18799	15071	26543	0	0	0	0	0	0	1143	5130	12663	2107	7889	2441	0	2378	1412	2977	1288	1728	3037	2459	2115	3456	15639	14294	0	3664	4540	3745	3797	2727	0	1161	1622	3366	2303	3247	0	0	4539	Phytochemical	0.36363637	0.6818182	0.045454547
10	C15 H19 O13 N1	422.09293	422.0937	0.024166754	422.09293	2335	2069	5983	2734	7529	2220	0	0	9899	11952	4118	784	26107	0	2642	1431	0	10339	9985	5352	10024	9760	3422	2981	0	3769	1446	3413	0	0	0	0	1497	0	10552	1063	0	680	0	6909	10096	2550	0	0	0	4465	5361	0	0	0	5312	2687	4009	0	8077	12941	1058	1303	0	2139	0	6334	17188	10323	4243	10577	4137	1885	0	6211	7979	0	0	0	0	857	0	1185	1243	0	2404	3359	1052	3536	11201	3258	2945	4415	1996	1492	0	1887	3419	13183	8281	0	2541	3243	9826	11986	16122	1235	0	0	0	0	6946	0	1220	18555	Phytochemical	0.8666667	1.2666667	0.06666667
14	C15 H19 O13 N1	422.09293	422.0937	0.048853397	422.09293	0	0	0	0	5670	0	0	0	5714	0	0	0	21762	0	1838	0	0	7459	4176	0	0	0	1493	0	0	0	0	0	0	0	0	0	0	0	0	0	1526	0	0	0	0	3000	0	0	0	0	0	0	0	0	0	0	2154	0	10785	8878	2825	3479	0	0	0	0	17520	7959	2523	3842	2803	0	0	0	0	0	0	0	0	0	0	0	1563	0	0	0	0	0	7083	0	0	0	0	0	0	0	2552	0	0	0	0	0	4365	7333	4788	0	1078	0	0	0	4431	0	0	14680	Phytochemical	0.8666667	1.2666667	0.06666667
18	C19 H19 O10 N1	422.1082	422.10867	-0.052630566	422.10815	75874	71728	71023	61352	79047	51456	24599	32255	79050	163574	78653	27428	147421	32519	41758	41776	37079	110914	101010	117758	136694	142533	47184	43195	23933	39780	25487	41089	27059	18740	27857	27712	36966	22399	181662	24184	40728	30774	33623	115555	101357	43638	3478	378	660	112363	149402	902	25942	21946	67384	62979	56829	773	110797	66846	42070	39406	36515	24320	39822	102664	126488	77717	33574	81967	46491	34623	61956	51438	70661	22683	19621	17798	27347	22351	765	24034	47062	100161	34390	100385	21221	51795	92462	52279	44805	42661	38693	36011	35465	62699	59654	125788	165752	1019	70379	67083	57663	53937	62782	37574	23018	38616	92684	38351	56568	663	28733	131061	Phytochemical	0.5263158	1.0	0.05263158
6	C19 H19 O10 N1	422.1082	422.1089	-0.005618439	422.1082	12643	10724	8265	12992	12850	5870	2397	6797	21615	27960	25671	4534	26906	3758	4416	9147	5078	16259	15961	15090	31963	20891	9179	7711	1749	3883	2837	4938	3559	5215	5090	5901	8001	3853	34204	4143	7557	3882	7757	12194	28744	6518	0	0	0	12623	25437	0	6108	3824	11944	14069	8551	0	21615	16449	5786	7657	4742	8762	8419	12128	36311	20636	8418	14941	10253	10483	9828	8135	18012	5301	3976	3945	3964	5448	0	4239	6954	4802	5416	8544	3127	4671	16285	6579	7764	10695	8273	13823	0	5503	12160	20569	15620	0	11057	12166	12755	18228	16961	9360	4917	8895	9789	7179	12815	0	2891	34227	Phytochemical	0.5263158	1.0	0.05263158
24	C19 H19 O10 N1	422.1082	422.10858	-0.07856186	422.10815	6018	6362	7316	6951	5680	5172	2266	0	10421	16171	4853	2268	22104	3547	4104	2748	1371	18271	10518	10495	12874	15807	6718	4226	1856	5213	1536	2260	2456	1227	2085	1927	1905	1461	14255	0	3045	2157	2090	12609	7694	4275	0	0	0	12163	27706	0	2073	0	7056	6229	5367	0	15461	8839	4198	3355	2079	991	2728	10830	22511	16092	2347	8798	3836	0	10627	4232	6462	1907	0	0	0	1250	0	1752	6498	11441	5235	9586	1286	1600	11998	4577	5556	2497	3513	1763	3225	3784	6531	17498	26055	0	8478	5472	7611	7096	7386	3954	2469	1574	15475	2462	4158	0	2608	26503	Phytochemical	0.5263158	1.0	0.05263158
20	C19 H19 O10 N1	422.1082	422.10864	-0.05801047	422.10815	24636	26009	28484	28052	35956	27825	8513	12646	44904	65729	24360	13211	76483	20352	20693	15707	14339	66988	43730	53646	57680	68098	22428	24385	22146	18386	11900	14030	11607	8007	8617	10716	18480	10189	70665	9621	20048	12401	8859	46107	43127	20923	3429	0	773	66020	101537	1231	10372	11174	33408	30467	27614	745	64522	42027	20041	20661	15103	10705	14881	41751	72324	41222	19944	46361	22151	13439	32832	27729	38061	9918	5136	5055	6466	6020	708	11053	22546	49138	15878	45265	5713	26473	50705	28089	20614	19031	23540	11938	17560	25812	37389	66905	83976	835	27503	32762	30246	34887	41485	16292	9292	14917	57982	16003	37085	840	12173	72502	Phytochemical	0.5263158	1.0	0.05263158
22	C19 H19 O10 N1	422.1082	422.1087	-0.003762984	422.1082	12837	13200	14074	15453	18514	16248	3875	2310	19723	32721	9501	4701	28622	7558	7410	4967	2740	28840	21043	16318	23566	35489	9684	6236	5847	9651	2887	6097	3930	3643	3686	0	6306	2762	25083	2245	4772	6622	2352	17703	20500	5416	0	0	823	27325	40930	0	2556	3351	13954	12025	14206	804	26282	20576	7606	8160	4444	3936	3235	19689	34861	27085	8296	21942	9342	4260	8194	14620	14279	3662	1233	2104	3203	2007	770	4999	10504	21295	8470	21942	2098	10183	23969	9727	8449	8307	6283	5268	3392	0	5118	27689	45617	0	13067	15166	17581	19457	19802	5583	4573	5258	24637	5452	18124	0	6200	34902	Phytochemical	0.5263158	1.0	0.05263158
8	C19 H19 O10 N1	422.1082	422.10886	-0.012409839	422.10815	33329	38255	25548	40730	33516	15030	10924	18308	45527	75228	69190	18922	70097	10954	14342	22149	19712	36452	44081	60452	89927	70830	22748	26463	5828	11366	11188	20990	14173	14627	15684	16413	18837	14330	106801	14470	21643	15647	23079	59174	91003	16368	0	0	0	42891	84453	0	16868	19062	33360	38617	21289	0	50927	31432	17261	19801	13683	29984	26651	50820	83908	52061	17276	43468	21586	27786	43957	28136	67484	17669	15533	12162	17384	14297	0	11900	25129	30984	16568	27029	8530	15092	41158	14492	21959	21783	19835	34671	0	20802	33334	69917	63710	0	37589	36029	39590	47854	34192	27469	15614	24332	37007	21264	31462	0	10061	65678	Phytochemical	0.5263158	1.0	0.05263158
14	C19 H19 O10 N1	422.1082	422.10876	-0.030007945	422.10815	126591	120334	107748	127629	102474	85932	44699	66358	136137	314026	185557	52285	199355	52780	56067	74087	53880	149414	147026	233256	299661	311325	70258	71651	34859	68885	37765	104940	52259	43218	47819	51306	71078	47552	459610	43690	69105	47126	55673	220877	252257	67802	2734	0	221	185200	285597	512	52340	44398	118798	108356	82325	499	167627	99138	58688	74892	98975	78486	82585	189069	212501	141954	51700	129269	76165	59723	160316	119746	146334	50410	44991	39608	44785	40141	0	44037	67082	181892	63312	144386	32667	91350	113995	69180	65898	60921	66453	91708	59554	92002	104282	244759	260036	653	119058	123062	85010	105960	105748	76911	47392	84827	250534	72884	88269	0	42995	191245	Phytochemical	0.5263158	1.0	0.05263158
12	C18 H19 O9 N3	422.11942	422.12	-0.009478687	422.11942	18266	14924	16994	24779	0	10775	10248	19556	17646	9769	8077	15071	23426	4887	14653	12203	21560	21397	19879	14189	20639	37618	14829	12687	13349	0	5295	0	13582	11580	11759	11656	22903	10976	22325	11830	16401	13950	19077	23419	35650	13003	0	0	0	18340	37164	0	10948	14078	15162	19075	0	0	23695	10558	9219	20087	15187	16937	0	20346	0	21511	10275	21016	14328	22641	0	8844	10351	12028	10602	9350	10578	10552	0	14492	19087	17862	16453	13953	6041	6877	14122	11247	18521	13703	12807	33498	8737	20953	34760	24090	14595	0	13401	18699	9501	12911	10466	16371	10548	9365	0	21129	8746	0	12048	32098	Peptide	0.5	1.0555556	0.16666667
10	C18 H19 O9 N3	422.11942	422.12003	-0.03153566	422.1194	26195	21734	21951	17516	0	9826	11239	24939	24668	26847	16394	22793	28605	7152	20289	22911	20911	28829	27027	29033	34232	41678	24359	22759	10449	2777	13045	8530	15722	13771	18168	15920	25265	14300	29597	16281	29833	14033	25448	28157	42734	15788	0	0	0	26549	40329	0	19735	18791	22895	24442	16112	0	28946	14330	10783	25610	19010	20689	20066	30434	41615	0	15764	25506	13529	33797	11104	10998	13349	20270	17569	14646	18157	12188	0	14990	23239	11521	19516	22102	10658	8991	0	12030	19282	18064	18984	41736	8523	22249	51571	25330	23695	0	25732	24459	15997	15882	31238	26172	18336	24372	27919	33705	0	0	15466	0	Peptide	0.5	1.0555556	0.16666667
8	C18 H19 O9 N3	422.11942	422.1201	-0.030429957	422.1194	29667	27677	23083	27008	17387	11344	10573	21328	0	22233	19249	17615	34951	5800	14643	25295	23434	23617	0	23202	36327	45932	22053	23785	7181	2314	13424	7265	15364	14721	14067	20809	20668	17038	42363	13742	23552	15044	29472	27776	51229	15454	0	0	0	31488	49162	0	19647	20475	23265	23815	14621	0	27248	16948	14324	19813	23695	21242	21473	24673	42050	33053	13847	22561	17818	31432	10583	10725	16112	18354	16492	13097	13249	15795	0	12820	23146	13443	16285	16627	9455	9687	20960	11705	17149	20177	18103	37800	0	21172	41918	33400	24558	0	25229	26575	15908	20240	18221	22179	17359	24830	21314	26328	15789	0	16021	45371	Peptide	0.5	1.0555556	0.16666667
6	C18 H19 O9 N3	422.11942	422.1201	-0.04522781	422.1194	17279	16864	14554	13656	13033	7244	6736	13981	15782	14523	15111	12313	0	3846	8610	16494	17212	18039	20544	13147	21157	27020	11743	15210	3994	1384	6400	3648	9411	11126	11339	10720	17284	9384	21864	8651	12027	8374	20642	11483	27505	10170	0	0	0	17076	27910	0	14628	11543	17205	16076	10126	0	20609	10795	9813	12365	10939	15959	11848	12180	31430	18397	7855	18552	13599	18022	4597	5141	8660	11353	10822	7990	8572	8614	0	7484	10838	5518	8082	9654	5169	4543	17531	8445	11138	15065	12699	24224	3908	14458	22465	18573	11768	0	17494	16805	9700	13924	11908	17101	8035	14478	9350	15871	9201	0	7215	32369	Peptide	0.5	1.0555556	0.16666667
18	C23 H19 O7 N1	422.12344	422.12396	-0.07386985	422.12338	6233	3277	4860	4808	3605	0	0	0	3399	22406	20277	0	1894	2971	1444	0	2688	0	5651	13735	15441	11241	2160	1226	0	49416	1109	14790	0	1976	0	0	1930	0	17920	0	0	0	1435	14605	20658	1330	0	0	0	10490	11280	0	1739	1437	4689	8689	0	0	3817	2116	1704	1429	0	4411	2972	7589	4163	1834	1903	4001	2248	1781	39239	45644	60501	0	0	0	0	0	0	0	7050	11615	0	6183	2122	7710	2492	1589	2890	3525	0	3980	4445	3896	3207	14035	15306	0	8097	5843	2785	1376	2562	1844	1786	4239	3449	2911	2412	0	1480	3544	Phytochemical	0.3043478	0.82608694	0.04347826
20	C23 H19 O7 N1	422.12344	422.1239	-0.078992404	422.12338	5943	6508	5405	3999	2749	4414	1266	0	3225	22841	23579	1195	5428	4504	0	3037	2802	3826	2349	17300	19223	6007	2346	2232	0	36964	0	17840	0	0	0	2103	0	0	19180	0	0	2100	0	12735	26505	3403	675	0	0	8164	19506	0	1811	0	5499	2680	1556	0	0	1651	1368	0	0	3900	0	9793	3894	3704	1961	4104	1789	1639	44400	43403	66783	0	0	0	0	0	0	2006	2593	20756	3205	9616	4581	10651	4564	2867	4582	2856	3273	5362	3308	3971	1992	24440	18883	0	5658	4720	3409	3138	3411	3162	1386	4265	6517	3522	2576	0	2331	4291	Phytochemical	0.3043478	0.82608694	0.04347826
22	C23 H19 O7 N1	422.12344	422.12393	-0.048977114	422.1234	3988	3358	3034	5133	2860	1443	1854	1620	4078	13345	16734	1058	2012	0	2026	2067	1625	0	3362	13005	12283	8378	1100	1559	0	21565	2657	14157	0	1060	1433	0	0	0	14669	0	1764	1129	3766	12347	17296	1563	0	0	0	12099	25544	0	0	1203	5650	3946	2090	0	0	2116	1282	0	1981	2553	1764	8569	2426	3111	1734	3738	3416	2206	27444	31572	44993	0	0	0	1083	0	0	0	1954	13901	2347	6432	2738	6857	2500	1407	4444	1587	988	2334	2831	5326	2532	13897	8948	0	5080	3063	3310	3966	1678	1753	0	1672	8752	1985	2175	0	1863	2433	Phytochemical	0.3043478	0.82608694	0.04347826
24	C23 H19 O7 N1	422.12344	422.12378	-0.104396775	422.12338	2215	2253	2165	1499	2035	0	0	0	1276	6672	7792	0	0	890	0	0	0	1895	1609	3784	5223	4888	0	0	0	11821	0	7113	0	0	0	0	1070	0	3194	0	0	1511	1767	7302	14557	1688	0	0	0	4611	16767	0	0	0	2396	1234	0	0	0	0	1174	0	0	1019	0	6210	2568	1413	0	1800	0	0	11925	9184	21397	0	0	0	0	886	0	0	0	7095	975	6288	0	2729	2717	0	2587	0	0	2959	0	1713	1334	11420	4537	0	1375	1141	0	1561	0	1542	0	1287	4413	0	0	0	1957	1225	Phytochemical	0.3043478	0.82608694	0.04347826
12	C16 H23 O12 N1	422.1293	422.12988	-0.118874475	422.12924	21334	16029	45102	38236	49412	18990	15545	11276	58961	59836	34506	28020	96011	12568	22137	29498	19001	53689	60975	54286	78637	104832	30839	11802	9702	30528	4685	12933	16288	7015	14541	26526	30417	7065	109609	14940	22765	29254	19847	28741	73222	23329	0	0	0	53702	40239	0	12820	16677	40678	36946	23364	0	101774	62015	22334	30929	10216	0	0	28800	111665	67567	19276	53985	27524	10565	0	47912	56142	11659	13262	14365	17230	19552	0	15362	19446	0	18203	20560	20968	31956	52412	24171	23856	20185	26841	19824	11677	50091	32502	68515	40838	0	30162	31725	32440	33469	33518	12751	18686	12035	0	21466	38530	0	8709	88082	Unclassified	0.75	1.4375	0.0625
8	C16 H23 O12 N1	422.1293	422.12994	-0.096705414	422.12927	48476	37437	28617	49166	12120	23083	18088	33808	47288	104280	56087	31835	50091	4758	26743	30792	28612	21767	67129	58136	90420	73952	27997	34488	12932	32968	15599	29828	20172	17643	25068	25286	35726	23246	109084	26337	32356	25343	31259	74688	108528	28402	0	0	0	50920	96776	0	35808	24055	44450	43808	29249	0	31555	28567	27491	23325	24808	39698	0	43160	69119	45728	7334	42709	10449	36375	34572	82328	73052	25808	4236	33868	27830	24265	0	26072	39227	42979	26511	39124	17508	32368	24047	9423	36868	25923	9573	44156	0	57528	30747	71551	86732	0	34712	54207	13706	43635	30599	31610	21490	29856	35924	24476	22419	0	17396	56668	Unclassified	0.75	1.4375	0.0625
14	C16 H23 O12 N1	422.1293	422.12997	-0.068347886	422.12927	40786	32640	12670	36344	45427	20330	12296	25249	74443	70938	42023	14666	102257	10882	21187	8675	21925	62672	50694	60935	86964	62970	21912	18985	16564	18570	8323	9828	10372	12652	22001	0	38410	11119	78320	7951	35610	14407	20182	66710	66984	24761	0	0	0	44157	52789	0	7259	8274	34781	32536	28075	0	95067	48112	16210	28624	14199	13832	0	55044	83050	73549	22802	26899	20112	28743	15244	49982	55896	18612	8716	11673	11419	13184	0	14875	29253	0	22493	45631	10706	34110	48162	11644	25722	14697	19455	15119	19806	25977	64963	54595	52000	0	41281	23752	21560	46710	35894	25176	7119	12869	0	24558	28980	0	19724	76995	Unclassified	0.75	1.4375	0.0625
10	C16 H23 O12 N1	422.1293	422.1299	-0.096892215	422.12927	53186	47588	40368	50352	44918	35202	24777	32929	63405	112264	67113	24619	80800	22311	39308	43310	44705	45587	41159	95666	105605	164760	35511	43182	15295	30645	23116	31122	33537	27604	34628	31929	52367	23300	123653	29286	46986	27086	42995	100863	90324	32689	0	0	0	56685	96123	0	33842	33857	58532	52155	36968	0	62320	66611	15733	36743	30153	38646	0	116922	60343	42214	14171	61562	14016	52412	50007	102048	73998	30532	20220	28480	26181	22274	0	8310	36438	44291	28737	53079	24018	45321	40445	29896	27189	32259	25572	38433	27552	34746	64991	80653	77994	0	51687	55239	22877	35777	55843	46431	22076	33498	0	37959	47146	0	20988	65398	Unclassified	0.75	1.4375	0.0625
20	C20 H23 O9 N1	422.14456	422.14502	-0.09066764	422.14453	95992	92274	97701	69557	85921	77632	30380	64992	95358	258966	104493	37061	152653	53954	55338	54390	41210	123642	118501	195759	204257	138145	69676	82106	51220	147204	31996	91636	50366	55666	53813	54066	61653	44175	269494	48946	77813	44344	35136	161264	124895	52233	5171	1345	978	147564	153141	1237	58537	54727	94777	88854	72617	994	110127	91460	46894	64355	56800	31281	64011	124961	133702	89606	40408	95324	63399	40977	146347	188889	192211	61100	54255	52701	38400	37577	754	44859	65317	96247	52677	91119	43736	115769	102477	61622	57801	53012	55619	45001	77758	94849	101746	114235	163185	1738	93219	105666	67159	66380	87227	58261	38459	66866	107809	57755	65296	2306	44047	146252	Phytochemical	0.45	1.15	0.05
26	C20 H23 O9 N1	422.14456	422.145	-0.07205027	422.14453	6998	10743	10394	6229	4793	6092	0	0	8494	20908	5693	0	18175	3990	0	0	0	10070	9700	15922	25071	12780	5633	6070	0	13150	1803	5309	0	0	5170	0	6344	4623	18664	0	3386	2604	0	10750	13383	0	0	0	0	12231	12536	0	3893	0	6587	5351	5287	0	11074	6837	0	4657	4470	0	4345	10217	14650	8867	3135	8601	3021	3054	19315	27280	33323	4740	2873	0	0	2566	0	0	4580	6738	5642	7914	2984	8565	7485	0	4742	4253	3001	2327	4735	4481	7031	7636	17390	0	8809	5677	3030	6354	6185	0	3013	5196	8332	3770	0	0	0	14750	Phytochemical	0.45	1.15	0.05
6	C20 H23 O9 N1	422.14456	422.14532	-0.04234543	422.14453	81644	41650	36197	35472	25016	25430	15522	67920	76778	97703	59854	43914	60811	14005	24754	36869	28671	38633	42287	65761	104141	75614	28631	69980	9806	19842	16698	31711	22413	26161	26025	28391	33103	22117	254276	26345	29319	22487	78748	50429	173976	20409	0	0	0	45051	160050	0	30425	59714	42213	79190	23394	0	48460	28120	16531	33145	25947	37184	32577	44702	57909	37768	17293	42515	27011	76980	41530	39883	62011	25797	22559	21561	15027	23154	0	17137	27490	29125	39338	60518	16061	25451	34505	17858	25001	23476	23433	44899	25005	37126	92730	111484	65610	0	38600	44377	28142	31732	33225	33259	39670	40577	42321	57714	25236	0	17970	122154	Phytochemical	0.45	1.15	0.05
28	C20 H23 O9 N1	422.14456	422.14502	-0.123858914	422.1445	5915	6529	5977	4779	7773	5931	2062	4923	6774	19029	7919	2636	12882	2727	3590	4958	2756	7743	7842	14888	14807	8804	4712	8153	0	11793	1643	5877	2002	3716	2535	2855	4093	3142	17792	3558	3327	3343	3341	8066	9356	3567	0	0	0	7182	10258	0	4741	3002	5147	7438	5248	0	6515	4943	1604	5146	4242	3263	4335	6471	7608	4450	2898	6294	2976	3063	14625	19722	20166	4937	3550	3820	2702	4296	0	3802	4004	6967	2829	4623	3421	7269	4725	2140	3090	4439	3312	3365	4948	6317	7071	6469	13087	0	5643	7550	3655	3961	2498	5004	3163	4705	4427	5443	3050	0	3399	8381	Phytochemical	0.45	1.15	0.05
4	C20 H23 O9 N1	422.14456	422.14532	-0.043568093	422.14453	9892	9772	8664	8074	7951	7151	3947	6298	11486	18217	18222	6034	16677	6030	5048	9001	9723	8690	12204	13050	20896	18135	7830	6856	3062	5069	4721	5369	3576	4543	5826	4853	9157	4607	27755	5375	8467	4913	13084	11611	21010	6401	0	0	0	9036	22098	0	7369	7657	9896	7834	6794	0	14176	9947	5912	5058	5048	10009	8762	10467	16488	10554	5020	11020	5663	10518	13325	7575	13615	5566	4306	5965	1907	4755	0	4771	8996	8221	6586	7394	4279	5444	11566	6871	7262	5059	5686	10544	6468	7305	12858	15244	11862	0	9136	8980	11574	14289	11259	6414	5453	8791	10065	7301	8348	0	4830	16164	Phytochemical	0.45	1.15	0.05
6	C19 H23 O8 N3	422.1558	422.1565	-0.06540719	422.15576	53535	58214	57687	61283	26201	22498	33657	73796	33394	55565	36858	43246	38935	10699	48069	76071	65340	39985	54581	57061	77573	83761	53545	70252	32194	7509	33935	24165	50505	54974	58957	59985	70682	53885	71178	58675	69552	42960	76333	55181	84349	35585	0	0	0	65139	90800	0	79652	59312	57492	57805	32432	0	45121	20440	22939	62009	51928	67379	72370	46567	41628	33275	22591	35302	37428	88305	13240	23184	30164	61948	52915	48495	37581	51986	0	35600	44176	36713	40630	38794	36566	28871	28089	26729	50961	42747	38612	99932	45109	65164	107518	45883	51945	0	57349	53796	18998	21813	19530	68508	43906	83662	50789	64436	21580	0	36453	47912	Peptide	0.42105263	1.2105263	0.15789473
2	C19 H23 O8 N3	422.1558	422.15656	-0.092224196	422.15576	7546	8783	7087	7273	7086	0	5022	8878	8353	6170	5543	9906	11631	1885	8007	1670	12805	9465	9907	5467	12622	12558	9740	8344	3081	1295	0	4124	8489	4868	7305	6548	13269	7333	9948	6638	9760	7827	12776	7499	13403	7360	0	0	0	4774	10450	0	7644	4844	6974	7619	7982	0	10811	5164	4459	10171	5220	8352	2838	5486	12287	10873	5225	12360	8429	16804	2581	3066	4827	6339	7592	4410	1140	5977	0	7044	10267	4064	7985	3906	5349	2851	6978	4981	9263	9643	7702	25113	4151	7945	18347	8025	0	0	7267	7390	5807	7406	6043	6674	7851	6538	6434	10690	4920	0	6519	13385	Peptide	0.42105263	1.2105263	0.15789473
14	C19 H23 O8 N3	422.1558	422.1563	-0.10988249	422.15573	31413	31432	27563	32497	15922	17506	22929	38066	16525	21858	14027	24931	53492	11103	0	0	33615	26021	25489	22000	18945	60597	34037	56941	35402	4904	31698	14940	37041	0	30983	42902	45168	40193	27558	32742	0	29985	41049	64172	26680	20776	0	0	0	29402	24805	0	35508	34784	27499	25334	20326	0	24259	11804	15246	0	54977	28491	49403	31008	22167	19771	17253	25671	20277	36725	0	13819	9722	34611	29877	60878	27601	29749	0	27426	0	23095	48868	25094	29944	18192	12705	16878	37324	25766	0	63354	48677	46433	0	26953	31037	0	82656	33252	13275	9250	10498	41259	20217	51224	23895	44707	12062	0	32962	22914	Peptide	0.42105263	1.2105263	0.15789473
16	C19 H23 O8 N3	422.1558	422.15622	-0.09671288	422.15576	15910	17705	13718	16762	8172	9201	0	0	7067	9434	4130	13010	8910	3195	15266	16065	15570	14468	32264	14963	10716	18901	15610	0	16016	3044	12277	12443	17603	14060	14294	18405	20611	15896	13391	16335	23953	0	19364	13410	10618	9354	0	0	0	11473	11683	0	14698	13498	12245	15810	5214	0	7565	4011	6671	18972	18559	15021	31354	10125	9489	21106	7781	9093	9967	15622	0	6231	0	16798	10520	10671	12749	10019	0	0	16888	13909	12013	9463	14479	8813	4769	10140	19159	10139	10776	30108	21967	27636	0	5562	10379	0	0	15172	4467	6463	4801	0	8423	22632	0	22064	3530	0	18264	12152	Peptide	0.42105263	1.2105263	0.15789473
4	C19 H23 O8 N3	422.1558	422.15656	-0.06578537	422.15576	16633	20072	17512	16021	7797	7698	8514	20851	12066	17619	12406	12827	15204	4661	13533	22144	25977	14192	16156	15406	18025	29017	18252	25053	9408	2322	12194	6419	13189	13315	15132	14822	16724	14366	22310	17777	20373	13050	36309	17555	27290	11143	0	0	0	16342	29907	0	18749	17238	19276	15943	11318	0	15965	10645	7601	17125	13583	19429	23661	11998	20499	13354	10824	15192	10035	31524	6620	5841	9070	15984	12108	16322	7228	13981	0	12008	18368	9306	14425	12328	9836	8741	11519	9407	14405	14238	11886	33473	15906	18344	36871	15065	15351	0	15297	17492	9567	10733	10928	20601	12289	23396	13749	18490	9373	0	10785	19155	Peptide	0.42105263	1.2105263	0.15789473
12	C19 H23 O8 N3	422.1558	422.1563	-0.10307065	422.15576	267827	204868	212716	226735	100144	247414	269088	0	132812	174207	111851	192816	139640	47809	4518	266760	222428	175160	231070	279657	393163	388560	274536	330952	0	94473	188632	99004	270564	223628	246588	279260	328488	221336	285052	236388	289360	226476	0	312354	290320	131306	1984	0	0	328627	244776	0	0	253744	230404	234100	0	0	221944	57179	0	314820	358896	274552	342576	201276	156516	143956	81836	139084	185539	319940	0	162725	185956	287543	225564	238052	0	203456	0	204280	0	197072	199380	349630	246247	135359	87684	97256	279226	142904	3168	494360	245067	394940	7056	0	182260	0	0	274716	96464	72509	83180	298812	206452	268924	184880	0	95844	0	234608	0	Peptide	0.42105263	1.2105263	0.15789473
6	C16 H27 O8 N3 S1	422.15915	422.15967	-0.285238	422.15903	0	0	0	0	0	0	0	1455	0	0	969	0	0	0	0	1940	1200	0	0	0	0	1524	0	1060	0	1855	0	3116	0	0	0	2019	1262	0	1257	0	2274	544	0	0	0	0	0	0	0	0	2539	0	0	1214	0	0	0	0	0	0	0	2241	0	845	0	0	0	0	0	0	0	0	0	2834	0	0	0	0	0	0	0	0	489	0	0	0	0	0	0	0	1230	848	871	0	20445	10039	1408	0	0	0	0	1547	0	0	0	1293	955	0	0	0	0	0	1139	0	Peptide	0.5	1.6875	0.1875
14	C24 H23 O6 N1	422.15982	422.1603	-0.16911101	422.15973	0	0	2503	0	0	0	0	0	0	7794	7776	0	0	0	1376	0	0	2183	3800	10640	6052	0	0	0	1326	32201	1903	11820	2414	0	0	0	0	0	5203	0	0	1703	0	7916	5343	0	0	0	0	2965	6917	0	0	0	2940	2095	0	0	0	0	703	0	0	0	0	0	2780	0	1138	0	2057	0	22195	19906	28246	0	0	0	0	0	0	0	0	0	1351	1321	0	4345	0	0	1675	0	0	0	0	2990	0	4324	6039	0	4254	0	1382	1228	0	2721	0	0	0	0	0	0	0	1464	Phytochemical	0.25	0.9583333	0.041666668
22	C24 H23 O6 N1	422.15982	422.1603	-0.0458356	422.1598	2344	6441	5824	6207	2399	1939	0	2119	1473	13840	23003	1743	0	0	1577	5333	1905	0	6359	13056	19710	6664	2595	2741	1466	43846	0	26499	1420	2394	2518	0	2671	0	6341	0	5079	2365	1567	15267	24296	2433	0	0	0	7940	16167	0	1726	1601	5277	6453	2472	0	2240	2836	3143	1738	2074	3392	1888	12183	2092	2023	0	2839	3960	5866	41331	38237	60391	1962	1963	0	1140	1724	0	1294	2989	8470	2513	10621	2628	14084	1446	3308	3822	4087	3666	7104	4099	0	7151	9969	9938	0	4868	3510	3179	3365	0	2686	1653	3514	4743	5638	2793	0	2518	2403	Phytochemical	0.25	0.9583333	0.041666668
20	C24 H23 O6 N1	422.15982	422.16028	-0.044766515	422.1598	6476	7074	5326	5611	4020	2954	1785	1618	3099	14811	24462	1144	2483	1968	1512	2172	4186	3075	2597	13153	19886	8573	1651	2936	1711	60932	1973	20605	0	0	1416	2283	1491	2095	14396	3571	0	0	2051	15633	26351	3155	572	0	0	10087	12370	0	2971	1620	7900	5811	2849	0	2201	2840	1358	4049	1980	3662	1561	11565	4609	2172	2028	2418	3420	2013	54803	48509	71312	0	1814	0	0	1427	0	1911	3815	11557	2194	6574	3108	16696	4274	1737	3851	4396	3382	7711	7193	5005	7227	9370	10932	0	5867	6190	2342	3002	4776	1985	2172	5752	8118	3127	2860	0	2067	3158	Phytochemical	0.25	0.9583333	0.041666668
14	C17 H27 O11 N1	422.16568	422.1662	-0.23564494	422.1656	46985	44362	76706	72055	36659	32439	34320	53736	82241	115351	49354	25329	91979	21834	55225	74905	59939	89128	78863	99345	111039	44177	51701	105985	62182	32106	24693	23496	50230	45643	35860	25478	66557	60689	87314	44867	58523	39886	21250	97762	63124	40477	0	0	0	101822	27070	0	70918	33100	68446	42142	43754	0	162261	56071	40536	76312	61211	23659	41906	89871	79639	73771	21306	52221	44049	58452	0	67112	46234	41266	42663	49662	43897	37303	0	57968	40893	0	61652	52154	18328	62127	37795	29937	36839	24019	36865	61268	45578	103927	79927	75051	61244	0	76652	49397	33319	39937	47095	54540	34445	91699	25462	43078	39666	0	43674	80712	Unclassified	0.64705884	1.5882353	0.05882353
22	C17 H27 O11 N1	422.16568	422.16696	0.10197577	422.16574	15038	12576	9724	12673	7567	6900	3148	5775	7260	24729	28067	4271	10436	0	5499	9316	4368	9666	10178	36755	27962	18367	6833	7990	6617	65589	3691	30205	3749	3830	4811	0	7580	5369	26252	4567	6988	1605	4857	28186	28805	6286	0	0	0	12413	21951	0	5376	4058	13395	11286	8555	0	3064	9489	2866	6424	7710	10525	9415	19580	4058	3547	4691	13660	9107	5712	59721	68924	74964	6012	3959	4838	2882	5245	296	3498	11549	12338	6095	12558	4883	22366	6488	8279	9887	7087	6469	10933	21506	17995	14364	20511	26150	0	12850	16881	7422	9745	9641	7190	1444	12709	11951	7858	9127	0	6329	8569	Unclassified	0.64705884	1.5882353	0.05882353
10	C17 H27 O11 N1	422.16568	422.16623	-0.26788858	422.1656	40277	39447	34711	39622	22351	20094	29574	47978	33122	50477	55358	28564	52003	7011	37383	40417	27351	41145	39069	61529	44966	41670	35065	48840	29036	18127	25536	16850	40995	37018	35071	38863	45124	35430	55222	42288	45240	27019	34693	51185	37502	27177	0	0	0	36247	34972	0	22769	35701	43301	40476	27037	0	46876	24890	16791	23897	37869	21739	26791	24883	38546	39647	12549	31998	27166	29982	21643	36725	28725	40519	39925	39747	28009	34608	0	27200	36270	14130	30062	23017	27416	24278	23924	20751	36072	22577	27850	37814	28218	25838	64545	32100	42621	0	38815	44257	20373	16679	34092	50136	26477	46117	0	37972	29478	0	24919	43185	Unclassified	0.64705884	1.5882353	0.05882353
12	C17 H27 O11 N1	422.16568	422.16626	-0.22440831	422.1656	40440	26390	81395	60836	30379	37398	36340	53395	47608	49648	21526	26745	58043	18742	50687	70573	36951	67854	76413	81850	74934	52945	52983	36613	34732	49724	17289	20339	54099	38096	41117	51590	68245	37136	98233	51698	47626	39599	64300	62473	54412	30619	773	0	0	51484	49099	0	44187	45002	37732	25630	52062	0	121687	40410	29336	72601	53014	22535	35479	46207	70423	46374	23227	54782	44770	32436	21462	42741	79506	44534	49566	73100	45093	35748	0	48059	43762	0	36425	24808	59937	30860	47550	33251	68342	25468	18562	34365	30214	56930	59689	51463	41447	0	73666	43264	27605	33234	40690	50208	31836	38750	47727	43388	38818	0	29883	57082	Unclassified	0.64705884	1.5882353	0.05882353
2	C18 H23 O7 N5	422.16702	422.16776	-0.17535065	422.16696	10902	9129	6516	7539	6274	0	6411	9705	8929	2634	3711	8991	10295	3642	9666	1803	13122	7869	11453	3981	5776	10884	11026	9324	3453	334	0	0	10457	7374	10566	9234	15519	13631	7045	8567	15005	10407	16605	4462	9186	0	558	0	0	6504	7067	0	10526	13244	8682	9585	8006	0	10176	4791	4974	12563	4881	4911	3987	2452	11318	9273	0	13169	8932	17799	0	1976	1037	18844	8484	7068	0	0	0	13734	11056	34473	9072	0	3759	1863	7944	4923	12930	9912	8710	37892	14187	16914	22716	9132	352	0	7437	6324	4092	5718	5373	6507	10115	6951	2721	17013	7056	0	13301	11064	Peptide	0.3888889	1.2777778	0.2777778
10	C25 H27 O3 N1 S1	422.17844	422.179	-0.27678075	422.1783	0	0	1799	0	0	0	0	0	0	0	0	1496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1529	0	1422	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2512	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1603	1492	0	5999	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42158	0	0	0	0	0	Organosulfur	0.12	1.08	0.04
2	C21 H27 O8 N1	422.18094	422.18173	-0.08872003	422.1809	7049	7390	6321	4994	3801	39555	4161	9470	3912	8357	7277	6416	5003	2438	6430	4215	8531	4515	6046	7419	12773	9516	6819	5695	2723	4988	2780	6150	6954	5816	7652	6823	10947	7383	11694	7562	6757	5179	9522	6451	11192	4842	0	0	0	5410	8371	0	7170	5895	6467	6675	3878	0	7071	3559	2433	6573	4042	6244	4324	4784	6197	4887	3780	6122	5538	11660	6984	6760	10016	7949	6524	8066	2846	7258	0	6224	7417	5222	5661	5343	4812	3619	3871	3493	7676	3784	5207	11554	2973	6091	10501	7527	3642	0	6976	8147	3305	4295	4362	5569	7005	6189	5027	6301	3357	0	5254	5333	Phytochemical	0.3809524	1.2857143	0.04761905
6	C21 H27 O8 N1	422.18094	422.18167	-0.09664114	422.1809	95240	50310	44980	98350	26155	24095	28684	108688	32305	118259	46208	59204	45245	17518	37530	57455	64226	39136	49934	197946	227926	177398	37763	117558	55010	34670	50324	46953	85916	95150	93728	99684	118466	44141	309628	96546	52241	59238	42698	68684	137896	26916	0	0	0	52356	58193	0	61467	42677	104468	101968	26439	0	46581	23235	17612	52553	31689	61522	109984	43640	35269	40511	14846	38674	61720	94144	38445	65138	69345	87354	82180	41011	25972	40101	0	56290	60268	32458	29747	58514	56908	37293	25356	22025	68764	23003	54580	101626	53091	137250	145812	104996	79327	0	101744	101946	20995	23482	26811	112512	28374	69829	32571	93598	21781	0	57312	44919	Phytochemical	0.3809524	1.2857143	0.04761905
28	C21 H27 O8 N1	422.18094	422.18143	-0.07365332	422.1809	7820	6533	6813	8431	8002	4057	2402	7032	7263	16329	5616	4600	10329	2641	3821	7649	5384	8454	13178	15970	14541	7418	6693	8636	3342	17232	3340	8110	7723	3861	5726	5069	5619	7062	15317	7949	6995	6088	4365	7469	8485	5387	0	0	0	6929	7058	0	5475	7644	7147	5289	6594	0	8097	3673	2902	7412	5149	3092	7268	5348	7026	6083	3323	6409	4663	5171	14823	22074	22742	6346	5365	6479	5843	5513	0	3254	5112	4321	4343	3614	4662	5092	8169	2102	5495	2423	3840	5046	6457	7630	7616	5133	8798	1322	8487	7336	5116	5524	5206	8825	3951	5209	3444	6176	4087	0	4714	11256	Phytochemical	0.3809524	1.2857143	0.04761905
12	C21 H27 O8 N1	422.18094	422.18152	-0.08627955	422.1809	184225	186524	182827	189769	94765	88798	147071	265741	114088	341721	169954	122221	120645	62363	143710	198085	183701	128742	181771	408161	379500	299441	166725	228124	146296	267940	112486	168124	217280	179092	369254	175664	238428	178315	470375	395746	183285	137296	174900	301651	270805	98879	3163	649	652	256859	231708	493	200280	200129	193905	198510	99791	1213	150546	83100	63018	203607	192195	186707	208205	193099	148156	107706	57225	121583	107158	197258	270422	357733	313217	180347	174366	409844	150943	164124	460	138720	143615	180450	139774	143278	148844	171237	103750	81435	144028	81348	105616	228166	170083	244123	527084	168291	215998	1016	222207	224608	92603	70860	77801	188619	123379	220718	162549	186843	85483	627	135465	156030	Phytochemical	0.3809524	1.2857143	0.04761905
14	C21 H27 O8 N1	422.18094	422.18152	-0.044789266	422.18094	322224	316320	301117	304778	170024	166712	220083	392412	181987	522319	292774	205129	222681	120644	257027	338492	258172	255526	283096	676980	677992	443720	267001	386037	263161	545429	172037	305837	318201	322261	271631	350721	330802	258355	623889	340713	293882	219369	259187	477151	403924	183559	7701	1336	1248	378890	349162	1389	308863	334181	281547	306065	167629	2011	235087	151295	105914	332936	364972	239056	365470	331856	209559	189411	109714	203027	185386	254267	533384	664043	517395	303164	282678	327508	244854	293972	658	217356	223109	232177	239684	225428	246629	262954	191934	137937	229044	181530	181584	326853	285399	333225	454644	237376	340123	3159	304031	344569	132085	133433	157336	321820	196448	432276	294972	286266	150598	1244	215940	209604	Phytochemical	0.3809524	1.2857143	0.04761905
26	C21 H27 O8 N1	422.18094	422.18143	-0.13230267	422.18088	14302	8752	14097	10985	15477	11335	3266	12216	12107	26882	11750	7575	25296	3052	8437	15902	7363	15291	15296	27650	28535	12892	10999	19194	7080	27946	1903	7381	9680	8061	8154	7536	9648	14413	22317	9470	9345	5824	6796	17783	15821	7763	0	0	0	13922	14892	0	11140	10371	13387	16019	10563	0	16344	7300	5765	9646	6041	5313	11259	10652	17981	11267	3303	17647	5259	6053	23091	38848	44817	14593	11362	7166	10101	7142	0	7440	9068	8648	7318	4872	5265	12839	12084	6943	6530	10749	7739	8538	7767	10883	11954	8664	16870	0	14188	15345	7941	9297	9305	7211	7087	6809	7032	9061	6875	0	7575	22074	Phytochemical	0.3809524	1.2857143	0.04761905
4	C21 H27 O8 N1	422.18094	422.18167	-0.1023179	422.1809	17275	21028	15581	16934	9562	13754	9219	22924	12290	29659	16116	10363	18825	8848	15476	38362	14918	13633	31234	28535	34295	27098	14398	38662	10024	12586	10175	10179	17183	13638	14643	15513	20016	12685	40337	16411	19479	22642	19845	23130	23410	10000	0	0	0	18638	24954	0	17269	16488	16852	13990	9353	0	17975	9807	6091	31898	12437	13030	18888	15827	15181	13399	5411	12702	8501	16718	16208	19247	20432	16007	13851	15809	7862	14678	0	12150	28964	16836	13297	13646	21946	12548	12912	8689	13699	8736	12058	33442	20110	19181	52444	15287	24164	0	15503	20532	10509	12074	12005	18929	12258	29611	10966	27310	9287	0	9342	14324	Phytochemical	0.3809524	1.2857143	0.04761905
8	C21 H27 O8 N1	422.18094	422.18158	-0.13073629	422.18088	176422	87714	147994	88491	40017	46578	42193	82440	48017	413164	90056	47802	69003	26051	59449	162330	52376	55601	72870	388170	185157	157188	118844	199174	46314	62347	45811	71569	69418	136328	64042	152082	169614	132402	270172	139722	172366	49022	129776	291442	106180	39314	480	0	287	103474	95146	0	83443	75759	85562	92111	42786	0	67242	34714	28067	75647	50225	58127	93601	159664	72315	54691	21797	58342	88520	130690	81374	116927	112098	78477	135302	138184	47419	132480	257	50619	113320	58304	44461	94132	104204	143488	33597	25989	54398	39280	92616	75966	84629	125335	115962	70652	262072	563	167522	171028	37137	37459	37253	154702	48806	107504	38170	155442	28739	0	50246	69231	Phytochemical	0.3809524	1.2857143	0.04761905
16	C20 H27 O7 N3	422.19217	422.1927	-0.21569133	422.19208	16541	9036	16954	15536	5499	6422	18959	22856	8390	10588	7620	8948	4510	3957	15652	17463	10020	9277	12442	12904	10678	21358	17325	26129	18444	3272	12105	21690	19647	13395	16201	19364	25535	14107	18128	16722	21427	32214	10967	14336	8564	9130	0	0	0	10018	10507	0	18533	14737	12104	12404	8632	0	6386	3546	9964	20746	33150	12984	16089	5073	5697	8336	4480	9181	8414	11538	0	5998	0	18853	16428	14707	15450	14896	0	11395	12408	29103	10745	8286	15814	6350	5206	8129	17653	11948	9402	0	36795	31788	54230	10381	0	0	17073	12563	3975	4345	3135	20436	7912	18283	0	25774	4677	0	16008	6830	Peptide	0.35	1.35	0.15
10	C20 H27 O7 N3	422.19217	422.19275	-0.16032343	422.1921	54618	54835	43659	48000	17675	21303	0	69748	16977	44253	24216	39343	16426	10646	44486	62543	45570	27364	32488	62930	48687	82959	47058	78550	54241	10471	39486	28912	61584	51263	56321	64013	68596	56558	65638	57432	69272	41210	49632	70741	41802	25320	0	0	0	62750	52331	0	63205	53437	53583	51835	21993	0	0	9484	16569	63593	57809	43338	67249	41620	17835	19891	14795	20396	28665	52936	15891	29862	18180	60703	56854	53592	36054	45220	0	38346	48231	34785	39952	34452	47103	29034	13401	0	40110	25410	24995	78738	84542	90684	111317	40312	53360	0	50942	53545	10225	9403	8625	60529	33640	74161	33927	52565	13524	0	51276	26130	Peptide	0.35	1.35	0.15
4	C20 H27 O7 N3	422.19217	422.1929	-0.10751055	422.19214	18929	23908	17339	17715	7179	0	10252	24169	9989	13532	9431	11886	8729	4103	19501	20442	22432	11677	14223	19648	14657	28220	16465	24206	16794	4708	13417	13510	18192	14915	16970	15781	21897	14098	21480	19010	20927	16346	27713	15549	14976	9832	0	0	0	17266	25220	0	21136	16359	17907	18817	8739	0	14913	5676	5790	23874	15714	12447	24778	13370	9446	10910	6269	10647	11087	22474	4162	7744	6675	16399	14577	16664	9761	13920	0	14977	19752	20270	14799	11830	13955	9832	8521	8663	16148	10405	12398	25906	99193	58431	43888	14748	18031	0	17460	20409	7853	5979	5481	19512	12545	29696	11082	19217	8317	0	14680	12428	Peptide	0.35	1.35	0.15
2	C20 H27 O7 N3	422.19217	422.19293	-0.10985457	422.19214	9752	8871	9531	8160	4080	0	8668	13899	6120	5837	6809	10007	5518	2404	12254	3920	14562	7222	7524	7613	11293	14934	10796	11050	6544	1552	2389	4035	12571	6930	11309	9097	13822	11296	10724	11235	13594	9526	16382	9331	13247	6542	0	0	0	7301	9532	0	10788	8303	9059	10760	7036	0	7989	2549	4369	11898	9291	8427	6287	6801	6390	8135	4193	6004	7483	20059	2229	3762	5257	10674	10663	10837	2881	9065	0	8154	10806	7796	10657	7272	7870	5115	3255	5182	11895	6455	5926	24143	13040	15355	23564	9115	3806	0	10064	11042	4275	2698	3385	10593	9928	11660	6848	12368	3860	0	11018	5659	Peptide	0.35	1.35	0.15
6	C20 H27 O7 N3	422.19217	422.19284	-0.15189728	422.1921	43312	50325	44307	44340	14774	20582	29718	51429	18467	45167	22268	24853	14193	9495	38307	52710	31268	28586	31447	48617	47483	59749	33966	60515	38687	9045	28140	46295	48156	38979	42379	52371	56825	43098	48131	44767	57982	32493	44886	41478	45333	22016	0	0	0	48282	45325	0	58833	42428	43876	42296	21121	0	26229	10240	14881	50753	28370	27477	60897	31479	18365	17931	12440	21943	24911	51286	10508	22864	22879	39939	36572	42235	22728	38405	0	31443	32836	38841	27554	21337	29531	27490	12236	16893	38277	22235	27330	71176	307906	205995	94828	38581	46474	0	43178	43015	9870	8498	11332	52038	27015	64922	25347	48523	12982	0	33058	20538	Peptide	0.35	1.35	0.15
8	C20 H27 O7 N3	422.19217	422.19278	-0.16734593	422.1921	50833	55301	44648	59924	16061	20815	38079	63680	20860	50431	27651	35836	20611	9088	46891	67102	43877	25919	34357	66103	52288	78438	44221	75993	45706	9679	33183	25315	57398	52342	46450	68095	66712	51885	69243	54971	64867	41055	53684	69534	47917	25501	0	0	0	60142	61256	0	67162	54039	46746	56355	22685	0	31490	11787	19010	64954	44395	42237	78944	39301	19167	20933	18491	26764	25783	55373	11922	25280	23221	65597	50003	49891	33388	48780	0	39083	48303	34784	37190	29840	44724	36123	12632	16974	43882	28728	28495	75022	119390	106405	103291	44641	57623	0	49528	52240	13229	11862	12547	52743	37225	78034	34678	63292	12267	0	44532	24734	Peptide	0.35	1.35	0.15
14	C20 H27 O7 N3	422.19217	422.1926	-0.22460513	422.19208	27113	22865	0	29074	10084	0	22319	0	8840	19366	12722	0	9787	9529	0	0	24875	13675	21666	24994	26075	46002	24168	43165	39070	4938	19489	19204	33268	29234	0	36444	43094	35885	53658	28441	41309	24432	35055	0	17474	15326	0	0	0	0	16332	0	31297	30261	19255	20962	15249	0	19222	7607	8804	33647	67597	26009	29576	19464	8647	14370	12672	14721	18452	25933	0	11572	5938	0	23739	32820	18133	0	0	0	26252	35041	16701	17778	27647	0	7330	11373	0	17193	18759	53617	55611	0	62949	19946	25532	0	0	29379	7506	5333	4314	34547	18329	0	0	37028	10501	0	27814	11895	Peptide	0.35	1.35	0.15
4	C17 H31 O7 N3 S1	422.19556	422.19565	-0.3691136	422.1954	0	0	1136	1662	0	1086	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14828	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	312	0	0	0	0	0	0	0	0	0	0	0	0	44451	0	0	0	0	0	0	0	0	0	0	109927	63480	0	3862	0	0	0	1316	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4117647	1.8235294	0.1764706
6	C17 H31 O7 N3 S1	422.19556	422.19568	-0.13377854	422.1955	0	0	2076	1086	0	0	0	0	0	0	2074	0	0	0	0	0	0	0	0	0	0	0	0	0	618	908	0	18404	0	0	0	0	937	0	651	0	1176	0	0	0	0	0	0	0	0	0	0	0	0	0	2039	2278	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18631	0	0	0	0	0	0	0	0	0	0	121034	76465	0	3330	0	0	2113	1549	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4117647	1.8235294	0.1764706
24	C25 H27 O5 N1	422.1962	422.1966	-0.14565654	422.19614	1820	4661	1808	3360	1475	2918	0	2959	0	5886	10911	1560	2472	1165	2733	5562	2158	2683	2211	7684	9679	3006	1892	5379	2492	23587	1215	13532	2888	2341	3085	3920	2263	2826	2737	2016	1616	0	3391	10662	16305	1853	0	0	0	7799	11038	0	1198	1838	4426	3265	2462	0	0	0	1629	2982	3038	3885	4100	6334	0	0	1263	1750	5560	3889	28562	12756	26555	2028	2515	0	0	1490	0	1716	4190	3515	1668	3778	1436	8445	1699	0	4031	3592	2528	6606	2623	4368	4158	4392	2435	0	2547	4194	3525	2257	0	1913	1683	3162	4654	5618	1628	0	4329	0	Phytochemical	0.2	1.08	0.04
20	C25 H27 O5 N1	422.1962	422.1966	-0.18820554	422.1961	4428	4159	3999	2188	1393	1409	1460	1932	2000	4174	9275	2120	0	2950	2120	7194	4956	0	3432	8225	7433	4353	3246	4864	1641	28682	0	8944	2109	2257	2093	1602	3568	2831	5651	2248	0	2059	2988	8255	11904	1393	0	0	0	5346	6702	0	2840	0	5083	4629	1274	0	0	1839	1157	3820	1129	3414	5526	5055	0	0	1798	1813	3063	3158	24494	17769	32143	3022	0	0	2175	2371	0	1188	1505	6278	1241	2424	2771	0	0	0	6763	3082	1546	11414	3045	5649	4889	1876	4150	0	3479	3485	0	0	0	2357	2253	4006	1404	2312	2724	0	3212	2586	Phytochemical	0.2	1.08	0.04
18	C25 H27 O5 N1	422.1962	422.19672	-0.11700403	422.19614	1942	2109	3140	2479	0	0	1311	2687	0	3071	7394	1184	0	0	0	3594	0	0	1990	6563	9325	2063	1263	2317	1438	18030	1963	7999	0	0	0	0	1865	0	2505	0	0	0	2874	3388	8940	0	0	0	0	1504	4248	0	0	0	0	1876	1523	0	0	0	1201	0	0	2782	0	1099	0	0	0	0	0	2350	16284	10652	24563	0	0	0	1274	0	0	0	0	2895	0	0	0	4066	0	0	2230	1889	0	5277	2755	0	5670	2554	3734	0	3612	0	0	0	0	3088	0	0	0	0	0	0	0	0	Phytochemical	0.2	1.08	0.04
22	C25 H27 O5 N1	422.1962	422.19666	-0.07442553	422.19617	6737	3639	5888	5638	0	2129	1240	3067	1146	3847	13328	2337	2209	0	1574	7967	6145	0	3830	5047	8892	3194	1980	4690	2348	42040	1866	16754	3846	3114	3722	0	4564	2651	3287	1981	2444	3130	3260	7107	18244	3419	0	0	0	4117	11131	0	3305	1595	6215	5619	2427	0	1600	1580	1959	6269	0	3743	5287	6174	0	0	1638	3023	4251	4504	33841	27074	35872	2317	5863	1076	1681	3120	0	2990	5610	6096	3519	4141	1896	8352	1761	1693	6111	2797	3834	9757	5790	3993	8678	6507	5320	0	2851	2842	3047	1987	0	4519	2960	3332	2437	8574	2969	0	4936	0	Phytochemical	0.2	1.08	0.04
28	C22 H31 O5 N1 S1	422.1996	422.19986	-0.10870795	422.19952	2890	2659	3662	3438	0	1280	1646	16166	0	0	0	1613	0	1291	2929	12905	4376	0	2706	0	0	2228	0	5035	0	0	2154	0	8081	4826	13378	10391	1825	10553	1161	6658	2162	1808	4149	812	2425	0	0	0	0	0	0	0	8993	28080	2891	2613	0	0	0	0	0	10912	0	1591	8365	0	0	0	0	0	0	6339	0	2555	0	4577	4742	4739	6255	4186	0	1423	1696	0	1165	0	1103	0	0	0	2199	1395	1105	15162	3200	3425	7556	0	2734	0	2371	2344	0	0	0	3641	1437	0	0	5108	0	0	1443	894	Organosulfur	0.22727273	1.4090909	0.045454547
10	C22 H31 O7 N1	422.21732	422.21786	-0.17857422	422.21725	59539	52736	51664	51654	20474	25272	36338	80113	19565	91764	28218	40131	26840	12511	39918	61489	51744	21864	41752	98677	87045	67161	38074	75340	40832	46810	36231	41777	57180	61786	53482	67098	70439	55942	93555	68189	69156	34688	59981	72141	48615	23505	561	0	0	56216	44264	0	73831	56840	60132	55806	25373	0	27434	15150	13122	66325	13510	30072	64098	33115	20512	23628	12060	28475	23016	61515	37082	78990	60487	64735	58566	60529	49178	54692	0	40158	38175	28963	31541	17502	23796	37353	19670	15761	39904	22257	27989	77008	164524	118108	96424	33641	61633	0	57450	62937	14398	15332	19019	66808	37032	76448	15852	55642	14284	0	37090	27335	Lipid	0.3181818	1.4090909	0.045454547
8	C22 H31 O7 N1	422.21732	422.21793	-0.1810781	422.21725	53352	53390	43076	51996	17389	21511	32530	70745	19962	78186	36086	31453	24908	10040	37741	63461	40010	22870	38396	92949	79556	71611	36500	72187	35795	27706	35463	30611	66656	55412	50127	69309	61110	53188	100278	58526	69793	35159	48037	68576	37188	22473	0	0	0	53316	38865	0	69951	57135	51014	50551	18150	0	23215	10099	14159	54385	13299	18344	58502	32873	18857	19577	12044	26911	25767	51121	32728	63320	54600	62672	53587	55438	43451	53607	0	40618	37176	27000	33199	15570	19445	39500	12524	15449	30057	18728	25331	65121	64439	61975	80284	36813	58953	0	50503	49263	13786	15647	14151	63240	30225	76913	16308	51247	8867	0	32565	21023	Lipid	0.3181818	1.4090909	0.045454547
4	C22 H31 O7 N1	422.21732	422.21805	-0.113653675	422.2173	15876	17965	15954	12984	3838	5330	10358	21900	4075	15657	6111	12136	4531	2348	16757	19197	16212	6289	9222	18658	15466	21414	13557	19017	17893	8481	12145	5988	17984	16532	17843	18158	19858	16092	20648	19181	21085	12608	20212	13612	12536	5935	0	0	0	14606	13564	0	22519	19461	16300	14298	3853	0	6393	3149	3354	17005	5542	5821	21270	9592	4432	5625	2424	5743	6344	17957	8114	11394	11321	18354	18544	21153	14836	14927	0	12928	12774	8518	11160	5560	8478	9634	3464	5060	10541	5184	6967	32545	20655	16432	41008	9676	17773	0	14605	16711	2790	3558	2855	18525	10019	26493	6862	33783	1739	0	18645	5603	Lipid	0.3181818	1.4090909	0.045454547
6	C22 H31 O7 N1	422.21732	422.218	-0.14881785	422.21725	33447	35716	31759	37425	9597	11167	24429	54064	11545	48985	25798	25181	12357	5714	30428	49801	30950	14561	24642	57507	59717	44755	28165	47122	25194	19394	23157	20906	48905	43208	44654	48858	53960	39186	56090	46420	49139	25997	40131	36322	32385	14369	0	0	0	36202	30396	0	52203	44207	36611	36502	13497	0	16640	8819	8236	49245	9982	11505	45886	21491	13525	12893	9327	12040	18822	40500	16644	39719	31593	43529	41182	48943	23928	40078	0	28583	22911	19604	20288	11253	15726	26374	9068	10639	23494	12639	18278	52542	49822	39016	57837	27128	39302	0	38975	34110	6503	7566	9478	43852	21040	55210	18133	42921	9490	0	24627	13128	Lipid	0.3181818	1.4090909	0.045454547
24	C22 H31 O7 N1	422.21732	422.2178	-0.12586531	422.2173	88914	71317	76996	77904	83447	62850	31199	68087	74611	151592	73696	40614	121119	45314	54262	68203	47622	110380	122160	160325	174404	88690	63958	85680	47546	166074	27849	75858	66230	59584	60178	61906	71654	70964	153653	63879	95116	41086	48706	104445	91039	40397	2027	0	0	85929	80353	0	75101	60016	83514	78214	59205	0	91096	70367	37355	76320	56672	33890	78799	76270	89783	65995	29493	89633	58806	46739	169335	243148	210518	74653	70711	53585	49028	54308	0	48685	72555	41444	49819	44085	42280	71357	81040	43293	66740	0	53126	69650	77846	92315	98903	55709	96847	0	81504	88215	50703	67933	69859	81615	37255	77735	53016	69782	55387	0	41996	103495	Lipid	0.3181818	1.4090909	0.045454547
26	C22 H31 O7 N1	422.21732	422.2178	-0.16004212	422.21725	21995	17509	20235	18624	24437	14393	4312	18322	22126	33657	16573	10306	39328	10437	12709	19972	17025	28108	35862	43691	39816	16455	13192	22139	5929	44597	5022	14567	17474	14838	12120	12343	15559	14086	37669	14255	18279	10895	12799	27401	24959	8812	0	0	0	17892	16573	0	18590	13610	18282	17284	16624	0	18739	22209	9797	15707	9532	10681	19014	17422	23826	16419	5222	28267	9977	13547	42347	64878	72542	17197	13950	9810	14287	9986	0	10190	19171	9861	11330	7876	9183	16881	20891	8730	14755	15040	9604	18475	15117	18314	27593	12432	17258	0	18253	18953	9123	24093	23981	19733	10853	15814	9066	18949	11117	0	11984	29713	Lipid	0.3181818	1.4090909	0.045454547
14	C22 H31 O7 N1	422.21732	422.21786	-0.15321146	422.21725	94358	108004	97837	96652	58728	47042	97539	125835	49127	103824	71322	80287	61659	34733	88757	145046	127220	61932	86097	159239	169790	123044	92848	152460	90044	142155	84962	69376	102917	114123	87743	115545	107890	88327	114037	119747	92059	77163	126564	109633	123530	59762	0	0	268	106170	119978	0	107643	115410	97541	91112	53376	324	67937	52766	38682	135939	63886	104486	117795	64462	55811	41586	39223	59308	59062	125173	141586	155893	146844	90368	92010	116425	110816	104192	0	74505	98379	66880	77940	62611	70977	71131	62887	54739	97306	46046	54038	200639	115047	89866	188185	65368	106402	558	94100	107968	39692	51658	58778	121451	73091	127815	60546	103946	49037	0	91294	56712	Lipid	0.3181818	1.4090909	0.045454547
12	C22 H31 O7 N1	422.21732	422.2179	-0.15721965	422.21725	59211	61184	66867	55491	28857	25889	65167	85419	30147	65562	46980	51668	28056	18611	62393	75814	105032	35517	49595	107419	99412	76948	64245	80915	61945	65902	54580	56312	65529	59580	59705	63857	75767	50568	108356	62781	65393	61123	114990	74428	107673	29711	818	0	0	70428	87324	0	75188	62810	62531	55757	25338	278	36257	23934	22269	69158	28249	77425	59019	57204	35175	27175	20727	36868	28745	123708	60997	98374	79986	57162	59898	61105	76394	53299	0	52795	75879	60481	75582	45906	48839	61050	31275	22044	68730	24787	34744	117792	69516	74222	108645	60367	66168	0	63682	71138	19515	23949	27731	68491	57340	65521	48864	62258	24945	0	72420	36310	Lipid	0.3181818	1.4090909	0.045454547
14	C21 H31 O6 N3	422.22858	422.229	-0.07251394	422.22855	43137	40845	33945	34519	2414	44103	3075	4806	1854	2760	17636	2759	1919	2188	3563	7041	0	0	0	0	0	9245	2279	5013	4931	0	2678	105404	5158	4594	4692	0	5918	5179	3789	4477	5048	1763	3235	1504	0	1825	0	0	0	3834	0	0	4081	0	39120	32150	2692	0	2535	0	1022	5925	0	0	0	0	0	0	0	2446	3732	3032	0	2128	0	3393	2874	3316	4258	4271	0	3868	1905	77468	1734	1958	1589	2015	0	0	1962	0	1650	6929	4396325	1565370	10795	25029	24200	0	35817	37956	1206	0	0	6355	3343	3458	0	5587	1066	0	5563	0	Peptide	0.2857143	1.4761904	0.14285715
6	C21 H31 O6 N3	422.22858	422.2292	-0.18753618	422.2285	6827	7885	6289	6816	1967	3897	4266	9081	3002	6296	2129	4560	2175	845	6894	6992	4455	2936	4758	10444	6519	10500	6035	11523	10514	1866	5432	2995	9257	7873	7078	8509	8816	7347	5936	8989	11015	6191	7531	6258	3153	3082	0	0	0	6745	4032	0	8597	7868	6709	6503	1880	0	3106	576	1305	10242	1534	552	11576	3705	1753	1736	1275	2461	4670	8212	0	5696	2489	6094	6029	7481	3625	6486	0	5176	4360	3394	3616	2132	3006	3769	1122	2220	5612	2683	4409	11503	13421	14374	20907	5176	9617	0	7321	7538	864	0	926	9935	4127	9565	0	9104	1354	0	6358	2471	Peptide	0.2857143	1.4761904	0.14285715
8	C21 H31 O6 N3	422.22858	422.22916	-0.12765865	422.22852	9437	7666	6904	9886	3118	9763	8096	10555	3169	8310	3834	5487	2121	1714	6017	13784	5152	1931	2843	7599	8166	8926	6583	13335	8968	3085	5301	20032	10614	7614	9756	13687	13266	9361	10586	9381	12228	5547	9163	9507	5439	4650	0	0	0	8081	5668	0	11830	6419	8511	9963	2843	0	4251	1522	2830	13279	0	2170	7793	4986	1795	3091	1821	3624	4714	10125	0	5369	2460	8922	9061	7160	4846	6123	0	4550	6091	47713	5866	2067	2978	6051	1897	0	7444	4849	4447	15332	135633	70206	23044	4539	7358	0	8979	7984	0	1379	0	12497	4069	12448	0	7687	2692	0	5625	1938	Peptide	0.2857143	1.4761904	0.14285715
16	C21 H31 O6 N3	422.22858	422.2289	-0.28261977	422.22845	10833	3879	9037	6781	2169	0	2246	4814	0	2025	2823	2363	1776	0	3199	4147	3441	0	2024	0	0	1766	1718	3141	2406	0	2661	13716	2773	2256	1830	4817	5551	3653	2006	0	5148	2257	4245	2155	1771	1638	0	0	0	0	1872	0	3089	2827	4826	6845	2058	0	0	0	0	4133	0	0	0	0	0	0	919	2405	0	4127	0	1758	0	2967	2013	3681	3964	2714	0	1183	0	7031	2088	0	1447	0	0	1658	2872	1742	1943	0	590646	165631	0	4283	5703	0	5132	7528	0	0	0	3898	1491	3117	0	0	1298	0	2571	2009	Peptide	0.2857143	1.4761904	0.14285715
10	C21 H31 O6 N3	422.22858	422.22916	-0.07649084	422.22852	29105	26899	29022	23748	2126	25778	6831	10674	1960	8285	13528	5079	2984	1932	9289	10427	4946	4068	4322	11790	5273	13083	6319	11684	9424	3763	5589	124987	9595	7353	8401	10821	17412	9771	7630	13185	18210	7136	7348	6215	4975	8602	0	0	0	8153	4002	0	13142	10737	26934	25764	3996	0	1716	1243	2917	15185	0	0	10187	4950	1185	2767	2065	3363	4028	7624	0	7012	5040	10319	11137	11265	6543	9951	0	7390	6032	211685	4771	1842	1812	5903	2228	2730	6497	4516	4302	14392	1899049	956684	19271	37540	18795	0	31499	29545	0	691	983	12883	7234	10390	0	10194	952	0	6821	0	Peptide	0.2857143	1.4761904	0.14285715
22	C19 H35 O9 N1	422.23846	422.23883	-0.34278017	422.2383	0	0	0	0	0	0	0	0	1982	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	226926	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	308	0	0	0	0	1350	0	0	0	0	0	0	0	0	0	0	0	0	0	1026	0	0	0	0	0	0	0	0	0	0	0	0	435	0	0	0	1750	0	0	0	0	5908	0	0	0	0	0	5514	0	0	0	0	0	1919	2001	0	0	0	0	0	2287	0	1199	0	0	0	Lipid	0.47368422	1.8421053	0.05263158
20	C19 H35 O9 N1	422.23846	422.23865	-0.06551811	422.23843	0	1498	0	0	0	0	1512	0	0	0	0	0	0	0	0	0	0	0	0	0	2106	0	0	0	0	0	2140	38174	0	0	0	1334	2107	0	0	0	0	0	0	1471	1534	0	700	0	344	0	0	554	0	0	0	0	1408	473	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1288	1151	0	0	0	595	0	0	0	0	0	1125	0	0	0	0	0	0	2717	3614	0	1953	0	0	0	0	1442	0	0	0	0	0	1686	2685	0	0	0	2195	0	Lipid	0.47368422	1.8421053	0.05263158
16	C28 H32 O1 N1 Na1	422.24542	422.24597	0.24127531	422.24554	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1579	3307	4323	0	3877	0	0	0	20220	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6819	2241	1808	0	1695	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.035714287	1.1428572	0.035714287
18	C25 H36 O1 N1 S1 Na1	422.2488	422.24966	0.3621256	422.24896	0	0	0	0	2298	2689	1182	0	0	0	0	0	1452	34903	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2735	3306	2104	867	0	0	1767	0	0	1615	0	0	818	0	0	6130	0	20338	0	0	1495	1875	0	2504	3674	19306	0	2222	0	0	0	0	0	0	0	833	0	0	0	0	0	0	0	0	4101	0	1028	1707	0	0	0	0	0	0	1831	1757	1730	2178	0	0	0	0	64701	9438	0	1327	2376	0	0	Organosulfur	0.04	1.44	0.04
26	C23 H35 O6 N1	422.25372	422.25418	-0.12997897	422.25366	40591	36163	35026	37343	45808	29157	17810	30941	37968	51071	42423	15229	47379	35666	26686	31752	25148	47594	67948	66733	71505	37519	26734	37404	29369	87726	13649	45076	40684	42921	29839	31260	43223	36171	64825	37847	50757	22985	27665	48000	42200	27145	0	0	0	43036	26869	0	38381	25031	42513	37001	36443	0	56475	41618	19196	38058	27446	17208	35482	32153	28027	32996	17485	47200	40358	25253	79385	94752	103321	33624	36168	37791	20293	28836	0	23087	32518	27589	21181	25176	30511	36662	42332	23289	40321	23598	29764	34175	49439	57093	43252	30488	38247	0	37525	43056	27036	58642	53175	50897	17846	43397	28094	31632	37427	0	26549	40354	Lipid	0.26086956	1.5217391	0.04347826
10	C23 H35 O6 N1	422.25372	422.25427	-0.11751753	422.25366	20451	18248	19190	17533	2969	6350	15370	35848	2174	19222	7286	17209	1690	3316	18914	23490	17955	3570	6879	29711	20361	16278	14402	22764	18670	9701	18616	6651	25931	27193	26563	30378	34573	25933	26050	29386	33853	18890	16017	16162	3985	7057	0	0	0	14353	8946	0	34869	25026	24130	22170	5059	0	1602	1589	2807	33783	0	0	22105	5140	1850	3422	3583	4615	8400	26352	0	14490	12168	26080	26302	36607	20311	27002	0	22256	11654	7870	10785	2757	3237	8619	1583	2947	20834	4231	7760	41392	33623	13869	43840	10029	20718	0	16475	18857	2411	2315	2128	30701	18246	22577	0	31522	2699	0	12489	4161	Lipid	0.26086956	1.5217391	0.04347826
14	C23 H35 O6 N1	422.25372	422.2542	-0.15605104	422.25366	14465	16735	22925	18095	4582	4655	18888	28951	2647	12981	10763	64807	2724	2682	38507	37279	29255	2109	5326	20959	17646	10411	26089	26313	13032	7998	25720	16429	27296	33177	26360	31679	29890	14223	15267	28173	27513	48475	23074	14261	5597	9832	0	0	0	12738	7914	0	27320	32313	13201	17775	4164	0	2407	1894	7093	23018	0	0	0	2974	2476	1847	9159	1694	4434	28014	0	18391	10089	16905	22343	78285	37082	35333	0	41663	18862	0	39039	1769	0	5782	3713	2578	15191	2748	8110	27973	33254	5927	24198	5155	9914	0	14624	14321	3315	1841	3096	28489	54487	20493	0	15139	2348	0	11198	2064	Lipid	0.26086956	1.5217391	0.04347826
8	C23 H35 O6 N1	422.25372	422.25433	-0.09355047	422.25366	15662	19045	15458	17758	4069	4136	16016	30123	957	13503	12378	22421	1234	1850	22972	27144	16942	2545	5434	21146	17977	20257	14855	25592	36107	5666	16347	8002	24125	25290	23471	28587	29780	19861	17757	28190	29669	16798	20668	17015	4950	6657	0	0	0	12110	10424	0	32847	25642	17782	18163	3889	0	2292	1186	3240	26036	0	0	30960	6431	858	2539	3616	3115	5613	22394	3363	10912	7031	26281	20944	33349	26003	27147	0	21877	10727	7920	9679	935	2202	10172	1994	0	17970	4564	7328	37327	43485	10136	108965	11491	17305	0	18690	18632	1223	830	0	27144	19239	27520	0	27651	0	0	16958	2459	Lipid	0.26086956	1.5217391	0.04347826
18	C23 H35 O6 N1	422.25372	422.25415	-0.23765537	422.2536	38937	36268	38844	38725	35381	21303	35882	43577	18097	24636	31660	24372	29050	15234	31341	54949	54714	31394	39070	50923	53149	20805	27523	44604	35102	65697	42477	29358	38454	40471	35156	50356	44077	32213	31465	41108	41272	26924	51105	32307	39521	27876	6899	0	0	25142	26691	1018	41403	39058	36086	39798	29144	261	26518	28515	18578	47254	47473	31086	48328	19688	20399	21815	16640	26386	31266	59725	47219	49607	57082	31527	32722	43816	51943	37897	317	19747	37920	30881	30718	17624	30251	21605	36499	27481	42974	26859	26911	64733	55889	39130	65499	25136	35559	0	38953	40246	19691	27449	35741	48919	23239	63462	60172	43357	26543	838	37000	20538	Lipid	0.26086956	1.5217391	0.04347826
16	C23 H35 O6 N1	422.25372	422.2542	-0.14245704	422.25366	19273	15579	14993	15553	10141	5002	15096	17348	5864	11438	10149	10037	8793	8072	13849	28286	24038	4583	16872	20181	21226	12543	14750	18619	15481	21959	14948	10676	21840	22567	19786	26738	21759	14439	21877	22798	20863	11755	22250	11113	12489	7976	859	0	0	11629	13622	0	19356	18727	13816	12116	7648	255	9576	5497	6327	21215	6837	11229	21800	4866	3771	5247	4573	10903	5915	24599	15389	19348	24036	16820	19272	24200	23586	21207	0	11927	13926	8450	7099	4606	8014	9558	11270	9941	21639	12232	8877	29201	34657	17001	35937	11202	14259	0	9302	15950	7919	6622	6243	18046	8324	18742	9368	25418	7147	0	16897	9675	Lipid	0.26086956	1.5217391	0.04347826
6	C23 H35 O6 N1	422.25372	422.25433	-0.12134995	422.25366	9698	9841	11075	10353	668	1898	10223	17072	1002	7501	3212	7515	0	564	23609	14929	10469	1453	2179	10106	10867	10347	9320	14613	81865	2644	9929	3972	14374	11638	13536	17645	13202	10401	11943	14292	15882	12169	15230	7537	3493	2365	0	0	0	6725	6338	0	17255	14821	11478	9577	1784	0	842	481	1796	13513	0	0	17559	3931	0	0	2253	894	2356	14365	2448	4593	3392	13268	14285	15970	12331	13362	0	10804	6709	5583	6415	1075	1530	4996	1348	2005	7918	2752	2335	19859	16466	7190	30136	11036	13309	0	8463	9556	682	540	0	14245	8159	12323	0	13448	450	0	10262	988	Lipid	0.26086956	1.5217391	0.04347826
10	C22 H35 O5 N3	422.26495	422.2649	-0.44319868	422.26477	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	992	0	0	0	0	0	0	0	0	0	0	3931	0	0	1104	0	0	0	0	0	0	893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5148	0	0	0	0	0	0	920	0	0	1320	38047	20111	1681	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22727273	1.5909091	0.13636364
14	C22 H35 O5 N3	422.26495	422.26532	-0.15862565	422.2649	1852	0	2269	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13007	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1395	1631	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	207127	75353	2781	3032	0	0	1445	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22727273	1.5909091	0.13636364
12	C22 H35 O5 N3	422.26495	422.2656	0.08971613	422.26498	2058	0	2017	0	0	2804	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1525	0	0	20347	0	1018	0	0	1648	1758	0	0	1587	0	0	0	0	888	0	0	0	0	0	0	0	0	1717	0	0	0	0	0	0	1792	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24239	0	0	0	0	0	0	0	0	0	0	172377	129453	3563	0	0	0	1920	6664	0	0	0	0	0	0	0	1466	0	0	0	0	Peptide	0.22727273	1.5909091	0.13636364
18	C18 H36 O1 N7 S1 Na1	422.26724	422.26785	0.29371837	422.26736	0	0	0	0	0	0	2712	0	0	0	1738	935	0	0	1525	0	0	0	0	0	0	0	0	0	0	0	22687	4525	0	1390	0	0	0	0	0	0	0	0	0	0	1992	0	5069	4024	1567	2099	2448	3843	0	0	0	0	0	1519	0	0	0	0	14729	6619	4102	1690	0	0	1096	0	0	0	8335	0	2173	1313	0	0	0	0	2021	0	0	9078	0	0	1811	0	0	0	0	0	0	0	0	0	0	0	0	4217	0	0	0	0	0	0	3158	12508	26234	0	0	3937	0	0	Organosulfur	0.055555556	2.0	0.3888889
22	C24 H39 O5 N1	422.2901	422.29053	-0.18727669	422.29	8481	7025	6832	7699	8539	5804	9688	11484	4798	5125	4121	5448	2395	6546	4072	15105	23744	5555	11192	5196	5871	3264	6456	4581	8430	12435	9743	8590	9802	10722	10907	9269	14015	7171	2286	14155	9708	5857	17240	4763	9910	6033	0	0	0	2752	4101	0	11768	12021	7168	6249	5638	0	7971	5837	5188	11880	2979	9001	13233	2559	4058	3768	3198	4487	7937	24890	8285	6383	9742	4781	6894	12703	17884	10193	0	5365	6869	6158	2647	4090	7064	2398	9525	6346	14149	7883	7694	38695	17018	12722	7877	5195	6879	0	4426	9238	6131	5117	7231	18445	8225	9993	1930	6195	6023	0	7394	4266	Lipid	0.20833333	1.625	0.041666668
12	C24 H39 O5 N1	422.2901	422.2906	-0.13424484	422.29004	2316	0	2524	1524	0	0	13547	20023	0	0	0	5558	0	0	4482	9490	5468	0	0	3362	1495	0	1619	0	8618	0	11910	0	7156	11297	13692	3394	3375	2843	0	8746	3912	3776	1938	0	0	2270	0	0	0	0	0	0	10261	19244	3477	2175	0	0	0	0	1143	7651	0	0	0	0	0	0	1410	0	2068	6669	0	1295	0	6858	6710	11497	6498	7123	0	6112	5060	0	3288	0	0	0	0	1950	13200	1069	0	26517	8982	0	6090	0	4005	0	2720	3182	0	0	0	5069	4619	2671	0	8276	0	0	6786	0	Lipid	0.20833333	1.625	0.041666668
14	C24 H39 O5 N1	422.2901	422.29056	-0.030936394	422.2901	2447	4350	0	3169	0	0	22940	13753	0	0	0	6974	0	0	2879	11499	1859	0	0	2548	1677	0	1323	0	4535	0	25188	0	5815	10292	8960	10072	8699	5941	0	4427	6481	2964	2192	1194	0	1165	0	0	0	0	0	0	11702	9406	3678	1900	0	0	0	0	1679	7984	0	0	0	0	0	0	0	0	1467	5426	0	0	0	8694	4040	8036	6679	4896	0	4692	3156	0	2282	0	0	1144	0	0	21174	2756	0	28325	19070	0	4211	0	2147	0	0	4333	0	0	0	4296	7598	2227	0	3680	0	0	3750	0	Lipid	0.20833333	1.625	0.041666668
26	C24 H39 O5 N1	422.2901	422.29056	-0.16069162	422.29004	29177	27997	33391	31222	28135	13290	25303	17727	22060	17243	29728	13510	14262	12876	20725	53639	36412	20322	45365	28283	32237	52067	11581	18778	48087	45520	22202	37092	37423	32156	20962	38689	42723	28470	24762	40653	40562	20294	49941	27985	35289	17658	0	0	0	20963	27590	0	36257	24183	33685	31372	23532	0	23391	22323	13871	79505	26016	27354	48310	22696	13049	16636	12040	22444	25290	53674	38164	33706	37633	14972	19922	26791	32348	29007	0	15957	29387	60148	8880	18903	30257	30837	26660	21965	74266	27167	36477	110434	94701	110275	49746	67839	90496	0	32749	35592	14174	23519	32684	53568	13025	52805	20898	32774	24735	0	49393	12940	Lipid	0.20833333	1.625	0.041666668
10	C24 H39 O5 N1	422.2901	422.2906	-0.11056071	422.29004	3936	2840	4993	1984	0	1529	4618	22128	0	1401	0	3991	0	0	2640	13070	3522	0	0	0	1278	0	2114	3029	4173	0	5396	0	4809	13309	11461	5569	1859	3066	1759	7508	3067	1918	4699	0	0	1517	0	0	0	0	0	0	9270	19128	2432	1674	0	0	0	0	0	7116	0	0	9509	0	0	0	0	0	0	8397	0	1777	0	6453	3390	9027	5424	5546	0	4225	2535	0	1467	0	0	0	0	0	7810	0	1017	23616	6775	0	5890	0	2164	0	2049	3456	0	0	0	4192	3102	0	0	4258	0	0	4324	0	Lipid	0.20833333	1.625	0.041666668
20	C24 H39 O5 N1	422.2901	422.2905	-0.19686416	422.29	2471	2466	1768	1918	1673	1482	3102	4340	0	0	1869	1829	0	0	1989	2106	7018	0	0	0	2291	1321	0	0	3077	0	4079	1567	4304	9624	2250	1644	2235	2601	0	3729	0	1884	5265	0	2136	2044	0	0	0	0	0	0	1759	9708	2375	1931	1425	0	0	0	0	3391	994	0	1413	0	0	0	1114	0	1856	6188	1299	0	1990	1765	4142	6940	36791	7005	0	2431	2577	2228	1997	0	1367	0	0	1551	4447	1479	2024	30059	6864	2156	4190	0	2922	0	1826	3815	0	0	1525	1948	1195	1614	1415	0	1868	0	3746	0	Lipid	0.20833333	1.625	0.041666668
22	C21 H43 O7 N1	422.31122	422.31152	-0.03488393	422.31122	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5882	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3226	0	0	0	0	0	0	0	13065	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3436	6714	0	0	0	0	0	0	0	0	0	0	0	0	0	1245	28582	0	0	0	0	0	9180	0	0	0	Lipid	0.33333334	2.047619	0.04761905
10	C18 H14 O12	423.05582	423.0565	0.027535306	423.05582	4042	3744	1836	3114	16692	2857	0	0	15943	2204	2512	1570	19901	3715	1032	2729	0	10666	7891	0	2432	4688	2310	0	0	0	0	0	0	0	0	0	0	0	1212	0	0	963	0	0	2744	3695	0	0	0	0	0	0	0	0	3917	5201	6321	0	8912	16463	6277	0	0	0	0	0	32529	17346	3802	15553	2253	0	0	0	0	0	0	0	0	0	0	0	2927	0	1916	0	0	0	17967	2603	2227	4716	3954	1647	0	0	0	8675	1834	0	3934	4466	14670	29481	18758	0	1036	0	0	0	11882	0	0	30380	Phytochemical	0.6666667	0.7777778	0.0
14	C18 H14 O12	423.05582	423.05643	0.018784713	423.05582	12842	14904	12918	11899	39271	16128	0	1969	51798	7562	8772	6805	81575	12161	4609	0	2011	35296	35320	3828	6323	32504	8802	0	0	0	2144	0	0	0	1947	0	1943	1482	7210	0	4223	3987	1528	0	6991	14083	0	0	0	3854	14390	798	0	0	10036	14992	24180	0	36631	49197	14566	0	0	0	0	5350	87675	49033	16473	49763	12147	2093	0	0	1985	1159	1005	0	1879	1357	0	3257	10107	0	12091	5658	0	0	50426	13919	9684	16665	17234	0	0	2676	4164	33465	16745	0	16284	11374	41274	66932	58112	3774	5282	0	0	4306	36055	0	2442	75625	Phytochemical	0.6666667	0.7777778	0.0
26	C18 H14 O12	423.05582	423.0564	0.059938356	423.05582	3062	2393	2353	2374	11511	4896	0	0	8840	1575	0	0	30884	3756	0	0	0	11366	10018	0	0	3748	0	0	0	0	0	0	0	0	0	0	0	0	2901	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2815	2222	4768	0	11469	12090	0	0	0	0	0	0	24768	11526	0	10018	0	0	0	0	0	0	0	0	0	0	0	0	3632	0	5187	0	0	0	12733	6627	0	0	0	0	0	0	0	3419	0	0	3696	0	4361	11093	19304	0	0	0	0	0	7613	0	0	24058	Phytochemical	0.6666667	0.7777778	0.0
18	C18 H14 O12	423.05582	423.0564	0.08401039	423.05585	29002	18418	18728	17988	75352	28684	3006	0	64478	10196	9040	7520	161058	34818	8738	0	4256	72110	62766	8124	9410	27344	24092	3026	0	0	0	5206	0	0	0	0	7988	0	8010	0	5900	4630	0	2578	11054	12260	2190	0	0	8246	10718	2618	0	0	21142	21972	46986	708	83670	77094	26134	0	3640	3432	3492	5998	163292	82240	23590	92588	23890	0	3208	3850	5224	0	0	0	0	0	612	4726	19464	23836	19478	14740	0	2932	94956	31328	14310	22326	19930	9432	0	4578	7798	36424	15530	0	22750	15600	46238	84684	102562	8126	6624	4176	10122	0	47840	0	0	127740	Phytochemical	0.6666667	0.7777778	0.0
28	C18 H14 O12	423.05582	423.0562	0.01743965	423.05582	4849	3321	4323	4809	12148	5966	0	0	12329	1749	1322	1897	25952	6200	0	0	0	16747	15347	0	0	3379	0	0	0	0	0	0	0	0	994	0	0	0	2302	0	855	2091	0	1433	0	0	0	0	0	0	2698	0	0	0	6106	2991	7648	0	16354	10934	2390	0	0	0	0	0	23891	10760	3108	12854	1858	0	0	0	0	0	0	0	0	0	0	1501	3903	0	3977	1317	0	0	16483	6303	2538	1520	2264	1302	1627	1350	0	4139	4113	0	3822	4088	7405	12028	11539	0	0	0	0	1452	8901	0	0	23676	Phytochemical	0.6666667	0.7777778	0.0
22	C18 H14 O12	423.05582	423.05643	0.11111055	423.05585	3073	3847	3028	4349	17980	7176	1815	0	15810	0	0	2731	29814	8804	2012	0	0	12650	10702	0	2139	4961	3104	0	0	0	0	0	0	0	0	0	0	0	5409	0	1808	3474	0	0	0	0	0	0	424	0	7168	0	0	0	3439	4656	6680	331	16816	16303	5678	1826	0	0	1525	1722	41127	21664	4373	17664	2282	1367	0	0	3476	0	0	0	0	0	700	0	3072	5970	5431	0	0	1500	25375	9019	3756	0	4216	0	1924	0	2388	9559	7288	0	5129	2637	8349	21424	19246	1458	1508	0	2111	2103	13248	0	1778	30897	Phytochemical	0.6666667	0.7777778	0.0
20	C18 H14 O12	423.05582	423.05634	0.16149166	423.05588	5409	4934	7000	8048	27729	12171	0	0	26131	3714	2653	2770	58141	14787	4474	0	1304	23713	19117	0	0	9452	5134	0	2049	0	0	1387	0	0	0	0	0	0	5018	0	0	3335	0	0	2270	3290	994	0	0	2366	6510	1877	0	0	4716	6350	12930	0	22451	26251	5997	0	1401	1642	0	3589	46293	32460	4963	32713	6444	0	0	3202	2904	0	0	0	0	0	679	1634	6559	7102	6276	6672	0	0	43490	11488	4274	5125	5533	1924	2300	1945	0	15510	8030	0	5818	6707	16946	34411	35951	0	981	1310	2709	0	21642	0	1263	45518	Phytochemical	0.6666667	0.7777778	0.0
12	C18 H14 O12	423.05582	423.05646	-0.014725168	423.0558	9591	9117	8236	8077	31413	5985	0	0	28820	4870	6662	3831	36626	5636	2635	2606	0	20967	21917	1955	5867	18316	4469	0	0	0	0	0	0	0	0	0	2626	0	5962	0	2797	2502	1836	3834	5942	7246	359	0	0	3320	9989	0	0	0	8749	10018	13871	0	22614	32696	12752	0	0	0	0	4658	74072	29653	8408	35418	7416	0	0	0	3020	0	0	0	0	0	0	2092	7756	0	5548	3146	0	0	30312	7063	5178	10044	8426	4922	0	0	3155	29070	8876	0	7557	10196	32658	45601	40116	4580	2733	0	0	1677	22826	0	1447	59229	Phytochemical	0.6666667	0.7777778	0.0
24	C18 H14 O12	423.05582	423.05643	0.14369358	423.05588	3293	2101	4207	3819	10326	4051	0	0	12562	1747	0	894	36312	5592	1960	0	0	15103	10559	2081	2427	5442	1591	0	0	0	0	0	0	0	0	0	0	0	2702	0	0	1978	0	2665	2546	0	0	0	0	1189	2773	0	0	0	2459	3283	7493	0	13943	12433	3538	0	948	0	0	1696	23219	11542	1902	11919	2206	0	0	0	0	0	0	0	0	0	0	0	5121	2586	4346	1781	0	0	19479	5279	2079	1714	1839	2958	0	2239	0	6141	4058	0	3813	3698	6703	12063	18665	0	0	0	1743	0	8760	0	1340	30706	Phytochemical	0.6666667	0.7777778	0.0
16	C18 H14 O12	423.05582	423.05643	0.039393917	423.05582	10953	12706	14620	14445	51489	20890	1135	0	49620	5424	7260	4198	90131	14909	3419	2315	1550	37903	34701	2485	5521	19429	9110	1673	0	0	2627	0	0	0	1342	0	2791	1367	9465	0	3435	5672	0	0	10537	10899	718	0	367	3731	15329	1238	0	0	11579	8591	24733	0	41741	54146	19218	1774	3584	2237	0	4566	95259	48793	13674	57720	15814	2433	0	0	0	0	0	0	1638	0	0	4135	16108	12927	9995	6024	0	0	65623	14468	6538	12742	13049	0	0	0	0	34959	12351	0	8576	9049	33595	61250	64361	2845	3429	0	7600	0	33682	0	0	89423	Phytochemical	0.6666667	0.7777778	0.0
24	C22 H14 O9	423.07104	423.07147	-0.07177563	423.071	6677	6636	5495	5612	5725	4808	0	0	9480	12583	4641	1765	8117	3721	2680	1559	2002	11076	7846	4302	9388	14105	3814	0	2428	6691	1336	1616	2725	0	0	1202	2974	0	15587	0	1209	1869	2357	6379	6855	2694	0	0	0	5240	11569	0	1301	0	5215	4338	5296	0	7864	4976	4148	1463	1118	1247	2827	5270	10222	9631	5879	7215	3759	2158	3001	4771	12081	0	0	0	0	1982	0	1613	9124	11075	8136	7303	1371	3166	10869	6425	6775	4055	5380	2301	2437	3108	4610	21630	18922	0	3624	7517	8083	8472	6281	1376	1525	2346	4794	2138	4823	0	3489	12438	Phytochemical	0.4090909	0.6363636	0.0
22	C22 H14 O9	423.07104	423.07153	-0.07332453	423.071	9626	10671	8783	10350	12062	4413	3676	1577	12475	17454	15565	1783	10609	0	4646	3843	2388	15959	14511	12392	12820	26224	7001	2713	3463	16410	4192	5809	0	2318	2525	0	2743	0	17432	1198	3161	4637	2560	5833	16793	4751	0	0	0	9314	13729	0	2389	2113	11098	9860	13461	0	16449	11284	5607	2846	3128	5325	2922	9098	17286	13356	5857	11213	6850	4160	15224	12587	22200	1379	1276	0	1205	0	0	2931	10370	14016	9950	11572	2741	8565	15606	11517	12071	5890	4708	4185	3551	6687	5154	29895	27436	0	9090	7140	14253	14843	13769	3630	3110	5830	9848	1750	9783	0	5907	14595	Phytochemical	0.4090909	0.6363636	0.0
20	C22 H14 O9	423.07104	423.0715	-0.06984894	423.071	9914	13241	8993	10519	17380	5623	2601	2145	16158	26467	18924	3191	17030	5543	3351	5828	1494	24112	20932	20945	17573	36054	3761	6662	3048	21246	1961	10092	1645	0	1264	0	2457	1921	38470	1819	4313	4039	5325	12612	16502	3479	521	0	0	10916	19065	0	1903	0	10800	8840	13557	0	12589	13798	8103	4226	3552	3684	6155	9111	24933	16450	6838	16554	8230	3179	23581	18215	27501	2966	1246	0	0	1392	0	1668	10510	20667	9620	11733	3149	12565	18274	11697	12134	8417	8318	7167	3022	7785	5403	38539	40133	0	10010	12788	16715	13058	14708	4827	1882	4664	9934	5456	15010	0	3937	18791	Phytochemical	0.4090909	0.6363636	0.0
18	C22 H14 O9	423.07104	423.0716	0.058669325	423.07108	12133	9764	9128	6539	11051	6285	0	0	14288	30620	18610	1491	13044	4560	1321	3801	0	12443	12226	11643	18304	31783	5664	0	3733	13713	2079	8528	0	0	1728	0	2550	0	40491	0	1889	3527	1932	10772	13310	3953	359	0	0	6371	15515	0	2641	0	7257	7745	7731	0	13183	11104	4893	2446	4001	2520	2919	8566	21682	10228	7089	15974	6785	2627	15799	17706	25572	1489	0	0	1241	0	0	0	9475	14217	7163	10187	1420	7258	15045	9175	6410	4216	8487	6191	3592	6194	4875	33093	37953	0	6764	7403	14297	11322	10363	4945	1543	3325	5217	2107	7098	0	5209	12847	Phytochemical	0.4090909	0.6363636	0.0
16	C22 H14 O9	423.07104	423.07166	0.06630025	423.07108	4800	6895	5775	5941	9494	3007	2068	0	7400	21608	13268	1775	5681	2438	0	0	1737	6141	4381	6020	8911	12384	2251	2017	0	11921	0	4985	0	0	0	0	2894	0	33038	0	0	1535	0	8146	4592	0	0	0	0	2762	7267	0	0	0	5683	4697	5074	0	6982	6462	2187	0	1395	2135	0	5043	12870	5173	2528	7439	1925	0	10688	13140	14777	0	0	0	0	0	0	1248	2335	7376	2923	6705	2139	3431	8028	2839	4512	1625	1558	0	0	3564	0	19737	14331	0	2567	4998	7135	6127	4869	0	1658	1613	4112	0	2612	0	1793	6164	Phytochemical	0.4090909	0.6363636	0.0
10	C23 H18 O6 S1	423.0897	423.09045	-0.0906798	423.08966	0	0	0	0	0	1448	0	0	5592	3569	3829	0	2425	0	0	0	0	2652	1832	0	4049	0	1467	0	0	0	922	0	0	0	0	0	0	0	2014	0	1489	0	1088	0	0	0	0	0	0	0	0	0	0	0	2608	0	1753	0	2678	1907	1736	0	0	0	0	4133	0	2795	2644	2174	2609	1620	0	0	0	0	1065	0	32338	0	0	0	1567	0	0	2871	1386	0	2675	2776	0	2455	0	0	0	0	0	3080	2488	0	0	0	3643	2823	1788	0	0	0	0	1220	3867	0	0	3556	Organosulfur	0.26086956	0.7826087	0.0
8	C23 H18 O6 S1	423.0897	423.09027	-0.22297102	423.0896	0	1702	0	891	1741	0	0	0	1368	3421	0	0	2280	0	0	0	0	0	1354	0	1252	0	0	0	0	0	0	0	0	952	789	0	0	0	0	0	0	0	0	0	0	1083	0	0	0	0	0	0	0	0	0	0	1021	0	1537	1088	1707	1900	0	0	0	0	2475	2149	0	1629	0	0	0	0	0	0	0	0	36224	0	0	0	0	0	1707	0	1041	0	0	0	0	0	0	0	0	0	0	0	0	0	1259	0	2731	2311	0	0	0	0	0	0	0	0	0	2141	Organosulfur	0.26086956	0.7826087	0.0
6	C19 H18 O11	423.0922	423.0929	-0.03457504	423.09216	10387	10120	9115	8708	16743	4904	2179	2364	22123	15790	15227	4760	23742	5638	3100	3538	3186	15631	16587	7858	14033	8563	6958	3667	1005	2128	2183	2632	1505	2012	3298	1741	2962	2421	20653	2340	3120	3533	5083	5963	7687	5509	0	0	0	6138	9899	0	3504	2939	7917	8696	8116	0	18557	19204	8173	4314	3012	5672	3912	3853	31523	17311	7615	19526	8812	5777	5934	5092	13296	1564	2472	1623	0	2963	0	2843	8485	3464	5914	3236	1665	1936	27073	8738	7381	7084	6955	5471	0	2464	6349	8538	6678	0	6475	7322	16840	27066	27265	4815	3377	5155	0	2576	18234	0	1651	29437	Phytochemical	0.57894737	0.94736844	0.0
22	C19 H18 O11	423.0922	423.09277	0.13323143	423.09225	21389	15999	12403	16247	34205	23650	2792	6330	42253	27259	10450	2574	54870	13330	10433	3079	3040	51142	27661	17220	20193	31971	10491	4439	3386	5955	5142	4192	2382	2019	4501	4376	6094	2726	27640	1811	6244	6114	0	14177	12954	7031	0	0	644	24798	43593	0	3773	1929	16552	14528	24157	879	52036	38877	13013	3024	7367	4298	4476	12204	66038	34277	12329	35567	11867	2158	10022	15077	13522	3885	2951	1980	2638	3933	1243	7048	13386	19216	14929	27189	3664	7768	45556	21272	11510	6608	9717	3725	9644	7590	6275	29517	33440	0	16563	16193	28695	30600	30530	3674	3060	2754	31300	7907	24674	0	3456	60611	Phytochemical	0.57894737	0.94736844	0.0
18	C19 H18 O11	423.0922	423.0927	-0.015143908	423.0922	86682	82313	67648	76383	129982	89418	25061	31647	141159	112972	63113	28998	286296	63991	51126	31863	14290	177455	163279	81231	99440	134435	61240	35601	25701	21847	21616	34837	34471	19750	32932	24253	42155	20022	150582	20193	53264	41558	22799	72337	73723	38983	3951	465	741	108954	131768	1247	28525	19918	92514	65240	92664	682	194690	118516	50062	33544	43008	22694	29156	68744	254924	142572	44732	162437	54131	23081	43370	40217	56164	31318	22050	19134	22257	22028	979	37357	58031	73575	58218	118869	22000	34344	147477	67626	59182	39587	60275	25284	34356	55420	46100	107513	107734	687	87035	69547	108446	123035	102871	40128	31794	28440	98849	39639	90396	756	24589	230725	Phytochemical	0.57894737	0.94736844	0.0
24	C19 H18 O11	423.0922	423.09277	0.15421699	423.09225	10456	6590	6267	7943	14416	8990	0	1821	23125	15887	3750	2724	37604	8203	4413	0	1889	27437	21942	8299	9984	15161	8357	1869	2323	4262	0	2187	1335	1591	1476	1111	1282	1123	9882	0	2674	3697	0	4696	7008	3078	0	0	0	9382	17401	0	0	1781	10166	4381	11645	0	32805	20188	6474	1661	2349	2859	1311	8396	32629	20678	4413	22404	3077	0	5983	7554	10099	0	1797	0	2115	1002	0	2405	6970	8687	8789	11804	2491	4532	23773	7387	5115	2685	5315	2804	2747	5623	3802	15592	16232	0	9008	4717	9903	17645	9817	2220	3257	2321	15657	1936	14650	0	1611	43336	Phytochemical	0.57894737	0.94736844	0.0
8	C19 H18 O11	423.0922	423.09286	-0.019810302	423.0922	33578	33384	29783	32856	45390	19433	9355	13605	63669	53215	59139	16842	77884	15018	15768	20786	18174	44119	59380	37883	62818	53247	23409	16815	3280	8057	10136	16257	6254	6915	12155	11816	15471	12356	77092	8335	15782	15950	20422	26379	45316	22131	0	0	0	19678	54418	0	13769	12515	32262	35124	30460	0	53947	51306	25374	15349	10620	26633	21585	26063	98475	59630	23613	53629	23585	19851	31195	24132	43297	14028	9803	8486	10376	11636	0	10203	34477	19406	23996	18734	7433	8747	62152	20121	25798	22809	23326	29244	0	14436	17283	53343	40269	0	36071	28453	67121	81629	63399	20690	15534	14214	30405	16778	51966	0	8743	77852	Phytochemical	0.57894737	0.94736844	0.0
20	C19 H18 O11	423.0922	423.0927	0.013584099	423.0922	89300	64502	92562	66710	149440	103800	25636	21526	165470	109954	45100	30954	290274	75430	50104	24398	10926	173426	145454	79128	97868	136012	50770	28976	27298	17202	16362	25108	22471	16218	20704	22954	37370	20312	122376	27908	42828	36376	15130	65336	69852	41125	5318	0	1304	95862	168771	3000	30642	16694	73594	73828	93043	1272	191364	128042	57834	33072	37770	17920	21770	69848	230472	147518	50172	170562	63713	15718	49972	51886	63338	21494	16686	16486	17562	23126	1432	32856	66876	77042	57916	99042	13242	36006	148546	74702	49116	31994	61436	8162	23524	30916	35270	124020	97268	2198	66052	73312	113496	128286	147760	38256	33864	25992	108566	37436	99478	2024	20002	262600	Phytochemical	0.57894737	0.94736844	0.0
26	C19 H18 O11	423.0922	423.0927	-8.53607E-4	423.0922	6290	7081	4559	3678	9699	6648	0	0	13371	8917	0	0	26154	5102	0	0	0	16810	12770	6301	10199	9458	5924	0	0	0	0	0	0	0	0	0	2024	0	7132	0	0	0	0	4274	5360	0	0	0	0	9381	12747	0	0	0	5405	5804	6203	0	23981	11123	3085	1947	0	0	0	3810	23225	11920	3869	14198	2223	0	0	4652	3898	0	0	0	0	0	0	0	7080	0	5538	7586	0	0	13973	0	2723	0	3110	0	1542	2843	0	4970	12404	0	5365	0	7456	8709	7901	0	0	0	9444	1949	8357	0	0	23636	Phytochemical	0.57894737	0.94736844	0.0
10	C18 H18 O10 N2	423.10342	423.10403	-0.008635193	423.10342	36122	41848	28960	35331	40968	22037	11613	21829	56663	57680	49984	31043	71986	15164	18126	26291	32178	56094	55395	41824	75180	89623	31650	27303	5990	5212	12125	15860	13550	14067	18344	19974	35200	17376	84071	15054	29306	20142	27501	50992	104934	25763	485	0	0	54377	127345	0	21058	19263	39763	37326	28014	0	62902	41589	22490	26164	26136	34680	26099	49602	98694	61818	28434	51488	30486	35825	29033	12178	28851	19465	19467	12772	21323	15182	0	21704	29608	29601	23505	48916	11196	14246	44784	19725	22951	29534	26764	38888	11664	25647	45134	73512	45290	0	34725	41658	36262	41577	37359	33091	22011	26004	72016	36618	32490	0	11648	94684	Phytochemical	0.5555556	1.0	0.11111111
12	C18 H18 O10 N2	423.10342	423.10403	-0.010572874	423.10342	39825	43781	39685	28235	42590	24884	19658	23326	52724	58897	42160	24916	78476	11933	23622	24871	35451	52552	55932	38262	81360	118399	35007	21407	10056	4370	12888	17927	17320	20626	20805	17427	41213	19409	92735	16158	31973	26602	38187	64635	125551	26274	482	0	0	62204	135615	0	21592	22309	44251	39384	33261	0	68117	37513	22391	30801	23945	33621	24407	72233	107917	63399	19338	55020	27714	40946	29797	12120	36900	23890	17150	15938	23757	15533	0	23528	33804	46305	21988	55576	13500	15161	46859	21618	32561	29248	29410	56571	14795	26393	50977	88661	45288	0	47158	43289	39132	47814	47240	27982	23374	24165	75076	37678	35401	0	15067	104328	Phytochemical	0.5555556	1.0	0.11111111
16	C18 H18 O10 N2	423.10342	423.104	-0.005486462	423.10342	19359	18827	14764	21036	22970	15120	8454	6651	31894	26780	18854	14226	49032	11988	12001	13073	15022	38361	32685	16683	37002	45672	19193	11246	8659	3553	7426	2437	8022	7582	8673	11102	14094	8882	42031	6320	18752	9655	11983	27704	33547	11963	833	0	0	25698	52765	0	10309	10242	18295	17938	16890	0	36978	20992	12607	10748	11201	11519	13644	28890	51547	29892	10200	34312	17162	11532	9508	4608	14133	10604	10648	4629	10784	6951	0	10461	14212	31680	12256	31732	4900	11097	25942	13563	13728	17887	15244	0	10395	17918	0	49015	36051	0	20255	20416	14653	20661	23405	16281	10024	10836	32368	16645	16872	0	9053	53771	Phytochemical	0.5555556	1.0	0.11111111
6	C18 H18 O10 N2	423.10342	423.10416	-0.027995624	423.10342	10502	10763	7828	9270	13046	3552	2901	7063	18285	11393	15805	5808	17953	2255	2928	5472	5825	15371	17812	9364	20049	15795	7989	7594	1807	1477	2587	0	4641	4727	5972	4583	7865	5795	17565	4324	6736	5083	9007	10275	17794	5981	0	0	0	13265	27474	0	5625	5758	8942	11798	9645	0	17446	14623	7038	6083	3540	8710	6018	9270	34451	18455	6503	16282	9773	8719	3376	2163	4573	4967	6679	3135	3307	4982	0	5127	7836	5202	4797	6851	2641	3182	16970	5272	4354	9277	7597	12272	0	5801	11637	19956	11712	0	9437	9699	10894	18318	16830	8554	5083	5875	14458	8457	9994	0	2947	31278	Phytochemical	0.5555556	1.0	0.11111111
18	C18 H18 O10 N2	423.10342	423.10403	0.14047576	423.1035	14343	9629	6930	9163	12769	11032	4043	5575	15732	14072	8974	3824	25895	6413	5475	6237	10845	24192	24912	6102	13574	25939	11121	6803	2350	2723	4986	3455	4865	2629	5010	6380	9893	0	14186	4341	12466	9416	6156	15379	16084	7580	0	0	0	11402	24204	0	6394	3812	11525	8217	15181	0	16957	8230	7148	11064	4087	4831	8639	11759	27376	13372	6981	22174	11342	5367	0	2532	6119	3796	3766	3503	4251	0	0	4358	16083	15341	9299	14716	2757	6543	15757	7920	12160	15146	11964	12040	3752	10529	18190	15974	18130	0	10998	8728	13152	17537	15736	7872	6179	6943	13644	10070	8917	0	6605	32690	Phytochemical	0.5555556	1.0	0.11111111
14	C18 H18 O10 N2	423.10342	423.104	0.010265807	423.10342	32639	30794	31594	38052	34362	23733	17029	21291	50648	47003	33325	20477	74662	14192	20045	18301	21982	51951	39309	30775	65612	73685	21828	14812	7278	0	10242	12432	13853	12982	17216	15245	32720	12839	69619	12430	25257	20380	26818	48432	71002	21163	0	0	0	38687	108271	0	16992	18402	31580	34325	26525	0	57970	40041	19495	20263	23282	25761	23202	59354	87557	51886	21138	46418	27617	27376	19223	11999	17657	12737	11677	10613	18756	9655	0	18774	29378	46460	19119	41593	9008	13339	43090	23052	26506	29306	23244	46111	11610	22219	44462	75679	49588	0	35412	31842	27118	43891	40273	27698	19625	14478	65331	24794	27349	0	14408	83536	Phytochemical	0.5555556	1.0	0.11111111
18	C23 H18 O8	423.10745	423.108	0.022099007	423.10745	31534	24843	25732	22029	28385	11488	5803	4339	22644	88232	73308	4765	22848	11467	9241	8688	5370	23546	31580	52255	55856	41787	10857	9202	4039	110625	7243	42196	6239	4052	2252	3816	7197	5402	116452	3043	7498	8862	7422	37309	40705	10581	917	0	0	33901	40858	0	4182	4107	27901	25597	19605	0	18005	18827	11931	13052	9143	6537	5860	26790	30941	18028	13569	25690	13474	7398	91395	99607	138108	3782	3581	1337	3280	0	0	3361	21578	37180	12759	26008	6301	33292	27297	16411	17350	10613	14115	10423	19450	18089	14210	44350	59600	0	26827	19400	26608	20000	18447	9157	3999	10818	23715	8040	19174	0	9682	27327	Phytochemical	0.3478261	0.7826087	0.0
16	C23 H18 O8	423.10745	423.108	-0.039763644	423.10742	13931	14767	10903	11308	9775	4870	2802	3025	16129	46698	31960	5378	15561	5494	5440	5526	2068	14476	15177	37090	29908	19747	8926	5968	3609	53437	3925	21632	1469	2160	2319	0	4300	1245	62453	2275	2713	3549	4042	18443	22285	6579	0	0	0	18305	21127	0	2039	3102	12774	12980	7249	0	10193	7730	9676	5331	6416	5225	0	10371	16226	8713	7176	13832	8734	3646	47770	66241	86943	2363	3993	2006	3331	3357	0	2243	8604	16902	7699	15521	4886	17076	14239	7885	11926	7016	4285	0	7207	8518	0	27057	29656	0	10965	12007	14999	11414	13022	4508	4549	4963	9159	0	14694	0	7099	12225	Phytochemical	0.3478261	0.7826087	0.0
26	C23 H18 O8	423.10745	423.10788	-0.13308847	423.1074	5123	4958	4987	3535	6675	2743	0	0	8524	19091	11582	0	10267	3445	0	0	0	7699	8002	7471	12992	11327	0	0	0	22271	0	5804	0	0	0	0	1470	0	22233	0	1735	0	3088	9607	10971	0	0	0	0	6897	9623	0	0	0	5988	4746	5265	0	6065	0	0	0	0	0	0	4708	10163	7434	2935	6156	4730	3483	23717	24742	35507	0	0	0	0	0	0	0	6325	10204	4564	6588	2450	6985	9527	0	6318	3015	3229	2616	0	2031	0	18528	17679	0	5793	6279	6244	5909	10526	0	0	0	0	1478	6396	0	0	8517	Phytochemical	0.3478261	0.7826087	0.0
14	C23 H18 O8	423.10745	423.10797	-0.084975936	423.10742	3453	4883	4650	5141	5394	0	0	2741	4435	26648	14494	0	4980	3875	1875	3978	3177	5890	5205	10332	13401	10754	3336	0	2299	25775	3391	14008	2066	0	2643	0	3305	1831	24539	2252	4208	3308	4007	8577	11955	1613	0	0	0	6272	10292	0	1561	1954	7995	5055	3382	0	5663	5678	3654	4464	0	0	0	3291	5554	3088	2657	5271	2933	2943	15395	26242	36619	0	1651	1725	2477	1572	0	1731	4739	0	3111	9239	2722	9705	6334	6781	5150	2429	2323	6382	2737	4434	3467	6231	11841	0	4663	3822	4954	5377	6253	0	1431	4676	0	2458	4713	0	3325	5828	Phytochemical	0.3478261	0.7826087	0.0
24	C23 H18 O8	423.10745	423.10788	-0.058371756	423.10742	12646	11654	11957	14182	11692	7227	3802	2462	18364	32912	27243	1912	18126	8341	3608	3934	4149	16010	20756	22468	28983	19952	6838	4289	4621	51165	1940	16236	1766	0	2370	1983	4567	1632	41840	0	3102	4408	3392	16380	26894	6054	0	0	0	14938	27978	0	3743	2203	10583	11231	9379	0	9925	10963	7471	3775	4401	3613	5063	12076	17195	12449	7550	13408	8830	2487	57150	45044	73690	843	1131	0	1871	891	0	2496	12907	18207	9363	17876	4347	16371	16230	11385	8602	5922	6844	6521	3585	4996	5432	31038	34473	0	8457	10635	10030	16373	12191	3723	1839	5904	14512	4227	12202	0	4846	18619	Phytochemical	0.3478261	0.7826087	0.0
22	C23 H18 O8	423.10745	423.1079	-0.081331626	423.10742	28131	24655	20234	23572	20673	15555	4074	3983	29745	70692	68765	3930	24402	10985	8514	5997	5435	25551	34935	50473	55283	41167	9180	7433	5719	110180	5947	38578	4349	3425	4192	5413	8924	4392	82154	4447	8418	11568	9451	36164	43103	9510	0	0	0	36359	47291	0	4610	4756	24022	23443	19881	0	25779	23995	14295	8227	11225	8336	7885	29949	38400	23905	13851	23715	17019	5614	87165	110037	134732	5935	2780	1245	1844	4260	0	5627	25333	40569	16937	34464	7338	28061	33520	17346	26212	12190	14431	12279	14255	11471	13905	60481	60818	0	23237	19301	28427	25059	26243	6918	5206	9330	30844	6561	26551	0	10782	32235	Phytochemical	0.3478261	0.7826087	0.0
22	C20 H22 O8 S1	423.1108	423.11136	0.13419013	423.11087	14950	26804	12026	11379	14014	10311	2724	3143	29372	40594	16447	2609	21132	0	3600	0	2602	13873	11991	24483	26037	28919	3857	4998	5126	44542	2515	16454	1850	2640	4247	0	4603	2179	39330	2166	3827	4348	3461	26092	18002	4464	0	0	0	21196	30996	0	3626	3337	9919	10585	23324	0	20280	9308	9472	5689	7887	5244	3674	21591	17562	7887	4957	9492	15304	4762	48912	50531	30418	3015	2305	1165	4500	2219	0	1338	8517	12663	5867	11725	7154	15682	11389	7240	12930	5699	7313	7819	16174	21875	11343	22435	38729	0	14474	18932	16224	11048	6764	2211	2762	7406	12190	5488	10603	0	2801	18871	Organosulfur	0.4	1.1	0.0
6	C24 H22 O5 S1	423.12607	423.1267	-0.2753301	423.12595	0	1248	0	0	0	0	1097	0	0	0	0	899	0	0	564	2144	0	844	0	0	0	0	0	1303	0	0	1379	0	0	1202	0	0	0	0	0	900	0	1078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	694	0	0	1440	1892	0	0	973	0	1093	0	1663	0	0	0	0	872	1300	0	35112	1353	0	0	1503	0	0	1143	975	0	0	0	0	0	0	1403	0	0	0	1438	1449	0	1347	1098	0	1549	1079	0	1247	0	0	1537	0	0	1167	0	Organosulfur	0.20833333	0.9166667	0.0
10	C24 H22 O5 S1	423.12607	423.12674	-0.08922843	423.12604	2733	0	3250	0	3187	2219	0	0	2873	0	2561	2975	1901	3162	3494	2489	1182	3062	2249	3136	2788	0	1925	3349	3508	0	2789	0	0	2133	3243	1855	3604	2118	3715	2057	2305	0	2030	4525	0	3024	0	0	0	0	0	0	3114	3262	2918	2365	3232	0	1357	3575	2928	2804	10837	0	0	6204	4007	3905	3979	2181	5223	4033	0	0	0	3799	3798	2379	60425	2651	0	2487	1435	0	2875	2744	4503	0	3256	4548	1916	2677	2451	0	0	0	0	1797	0	0	2462	2356	0	1952	2071	2006	2611	0	0	2348	2910	0	0	0	Organosulfur	0.20833333	0.9166667	0.0
8	C24 H22 O5 S1	423.12607	423.12674	-0.07282844	423.12604	2392	0	2901	1281	0	990	1069	1783	1988	2556	3703	2478	0	0	0	2651	0	1535	1026	0	0	0	0	1596	855	0	1817	0	1616	1587	0	2864	0	1126	1149	0	2347	1806	1451	2237	2515	928	0	0	0	2900	0	0	2002	2172	0	2125	1391	0	2414	1678	2420	0	3564	2486	0	4180	1427	2955	0	2230	2175	0	0	1899	0	2909	1837	2035	67904	1532	0	1773	2286	0	2354	2088	1444	3420	0	0	1234	0	0	2056	0	0	1288	0	0	0	2146	0	0	2198	0	0	2099	0	0	1649	3274	0	1834	1546	Organosulfur	0.20833333	0.9166667	0.0
6	C20 H22 O10	423.12857	423.1293	-0.065939575	423.12854	35130	19012	27700	16159	25424	8922	8337	16374	34262	61422	47180	12690	27548	8398	11527	18993	17745	18862	35108	44480	32565	37190	14424	18638	4650	13747	8582	11365	10909	13008	11853	13970	14205	10814	33237	15294	12457	12289	17658	12813	25560	10948	0	355	443	15785	26315	275	17172	13951	18281	40806	9606	352	37282	31804	10254	14244	9717	35138	15616	12462	45032	15514	11114	26656	10719	20322	20824	18438	34733	12470	13686	12602	8533	14931	529	9149	17190	6153	15714	10515	9632	8637	36326	12382	12846	10959	13427	19026	5218	8600	12966	16294	18211	503	17184	14896	31956	33624	37194	13903	12776	17493	14762	11627	34010	0	7577	35008	Phytochemical	0.5	1.1	0.0
26	C20 H22 O10	423.12857	423.12906	-0.038228214	423.12857	13097	14262	14473	13413	17056	10905	1501	6950	15009	28327	7396	7066	28830	9340	0	7858	5823	21736	17458	23388	23462	17153	17299	10214	0	8271	2553	4915	8087	0	9787	0	5145	5679	27475	5900	5809	7415	4281	14608	12767	6145	0	0	0	21458	28785	0	7662	0	13222	12160	11441	0	16674	16212	9011	7814	5528	3725	6939	11695	23255	16046	4213	15717	4591	4247	9139	17102	18009	9117	5493	0	0	4794	0	7409	15056	0	11739	13322	5936	9025	15492	7185	9880	7527	7868	3908	7531	7659	7767	9091	17143	0	9740	14321	11648	60687	47759	5864	5823	7182	13698	6413	8067	0	5356	24501	Phytochemical	0.5	1.1	0.0
28	C20 H22 O10	423.12857	423.12906	-0.049779516	423.12854	10345	7800	8717	8983	9981	10910	3906	7790	9958	24961	8653	4291	20949	5734	7220	6022	3292	12127	13539	23400	20541	8499	9338	9911	4042	10656	3305	7523	4121	4499	4320	4292	6150	7364	20637	5010	7152	4548	4130	8672	9131	6075	1264	0	0	15118	14257	0	5186	4780	9729	8063	7948	0	12456	11045	3728	7375	4607	4306	7425	8643	13445	9691	4789	11055	7601	2743	10585	22745	15575	7369	6272	4759	4377	4708	0	5446	9974	5450	6668	8139	3825	7944	10826	5300	8100	5318	4953	2939	8325	7140	7531	6047	10893	0	9466	10571	8624	9891	11553	6060	4552	7096	11737	4716	7476	0	4896	14463	Phytochemical	0.5	1.1	0.0
8	C20 H22 O10	423.12857	423.1292	-0.038251106	423.12857	74549	76567	115450	72007	89036	32857	35435	122100	61118	275898	182314	47320	118232	28350	76444	63407	106498	95344	72271	222396	264406	164868	105454	69121	22875	100796	41579	49115	41984	102276	90936	117506	51263	91182	339938	93936	52221	45992	135976	74831	219342	64926	1975	406	497	152244	227368	422	62131	116400	69020	68850	76024	417	129730	88044	32690	93300	55436	127762	66412	62497	76167	56184	31209	103180	77866	134440	82586	178284	284646	110970	53002	94084	37161	105246	473	73700	68007	37068	118612	110366	75510	90326	122576	36930	54978	64946	81676	130682	27787	42509	128592	62266	75058	813	70791	71031	113994	106340	56739	95208	91546	66161	61822	95860	47839	459	74586	139710	Phytochemical	0.5	1.1	0.0
24	C20 H22 O10	423.12857	423.12906	0.057022613	423.1286	23655	20100	19843	24199	26965	22035	8150	13456	28816	53377	14677	9761	53305	14365	16597	13252	9823	37405	29719	33378	42108	29286	19904	19567	13501	14477	5802	9794	11237	8248	15103	15247	10205	14318	55278	14665	14442	13224	9625	26262	19349	11134	2866	0	0	32320	37624	0	15451	11821	22472	21955	19504	0	38589	26877	11773	16513	14855	10049	15531	19052	44378	31839	8346	33209	13376	9768	16493	36636	34759	15935	10806	14331	7489	9314	0	12897	26819	13124	23240	29374	11276	14219	31516	17535	15358	8444	13321	9593	19719	18622	17279	22977	32133	0	20205	22461	20221	29572	22689	10296	12723	15273	27881	12853	19534	0	8234	53719	Phytochemical	0.5	1.1	0.0
6	C19 H22 O9 N2	423.1398	423.1405	-0.049354732	423.1398	74881	77294	65392	72565	43379	29558	28114	67150	55376	104889	77155	48404	73261	15847	40529	71769	63807	58231	71296	84751	125573	112179	51784	74018	18174	14315	30026	35183	52197	52859	54375	64255	74106	46632	130575	52475	65978	41551	81910	72759	142308	39225	0	0	0	83780	142587	0	68812	61764	71223	66282	41985	0	71550	40150	29737	57148	50806	72645	69855	67505	88298	59872	28098	57058	44979	94582	31084	34924	59362	58355	49410	52673	38114	49046	0	36439	46736	43603	39747	51481	33040	31950	53692	34756	50149	47949	43883	84553	30374	65715	92875	79652	82325	0	67001	69779	32759	47394	49014	66327	41777	81516	78284	69362	41791	0	31676	87654	Phytochemical	0.47368422	1.1578947	0.10526316
4	C19 H22 O9 N2	423.1398	423.14056	-0.073666595	423.13977	13149	16580	14004	15544	8979	8207	4611	12714	15408	17765	16794	8996	21741	4402	8762	13705	18957	16359	14540	13781	23812	25478	11387	15542	3676	3556	8221	5863	8227	9321	10962	10546	13668	9126	28499	10326	12329	7867	26443	14568	28484	9584	0	0	0	15169	33109	0	12077	11457	13846	14766	10502	0	18020	14805	6795	12515	7737	16233	13910	11927	21871	14612	7327	12975	7829	20162	6660	5296	11772	10989	8111	10037	5518	8249	0	8331	12322	9017	9317	11273	6308	6375	18809	8749	11589	10867	10713	22405	7114	12313	21657	14988	17286	0	12018	16768	11724	18312	16218	14867	8062	15634	12681	11966	9676	0	6466	25963	Phytochemical	0.47368422	1.1578947	0.10526316
16	C19 H22 O9 N2	423.1398	423.14035	-0.0531404	423.13977	97415	91964	91023	89446	67022	80091	76655	97214	85948	130954	53027	55134	106550	38509	84087	78713	65696	106277	115390	101308	105259	135099	95733	108858	83743	27202	64636	50451	82709	65901	88070	89422	121451	72013	159382	75353	115662	66599	70043	127586	89633	58349	1979	0	0	103105	108959	0	94355	79101	95391	91710	76121	361	84854	53147	46459	92525	86576	53921	118989	91739	95311	80203	36916	97077	75734	58309	36006	57199	48874	87608	69543	68174	55927	67505	0	65542	81287	69879	63246	78163	57325	60890	68786	49157	79021	64067	71698	88315	77283	106100	183232	74653	105707	617	97957	79924	47564	45191	51468	96140	54998	81962	72442	117824	49926	0	76213	122858	Phytochemical	0.47368422	1.1578947	0.10526316
12	C19 H22 O9 N2	423.1398	423.14038	-0.07256385	423.13977	215313	218721	226099	215833	121610	116366	160000	247304	167030	305637	167014	137261	168476	61817	176533	193210	172626	211440	227028	294499	319347	426864	206367	241768	134389	59443	122786	139541	205650	181483	210947	204278	262812	188822	451913	181425	223961	177906	184858	343571	343542	116025	2227	0	0	317892	351336	0	204199	199271	223417	213164	125540	306	233353	113293	90827	225924	275305	222715	234031	267706	233985	173451	79954	177737	135303	203099	128074	159057	175687	210052	181437	184837	134171	168429	0	167112	173009	182241	160382	225947	149461	149717	111958	98293	164650	120515	134490	268459	154985	245964	328734	228356	209777	643	224039	236735	122067	101553	96303	224236	151031	222547	245873	226356	103868	0	139457	256271	Phytochemical	0.47368422	1.1578947	0.10526316
14	C19 H22 O9 N2	423.1398	423.14038	-0.07452349	423.13977	176797	163362	162104	167507	116914	116398	124977	168772	133934	211644	122113	107805	181454	79655	153049	155364	124573	170534	183348	211550	201036	310073	153439	190603	130420	44570	99480	102812	146590	140525	148949	165758	210559	134104	306037	148479	199229	124012	137707	218811	200536	90720	0	0	0	207553	216412	0	158176	144904	150474	144019	109937	415	189795	99000	83910	178591	212821	113237	215556	195580	188364	139856	73979	153029	110740	125479	71303	124945	94787	151852	128891	144834	103327	119508	0	127510	139160	135393	120602	149487	108148	107332	109178	92253	137438	131227	126600	172748	147314	187504	295006	155460	166281	707	165972	156377	87002	115023	112495	189380	115426	198665	221811	185286	101440	0	122828	191846	Phytochemical	0.47368422	1.1578947	0.10526316
20	C19 H22 O9 N2	423.1398	423.1403	-0.004461993	423.1398	85742	85237	92250	80011	86186	61532	38763	56856	82939	177063	140938	46151	101509	62866	64530	64002	31882	86307	97909	156499	180783	118275	68118	85843	49372	302228	44255	122784	50547	38986	42079	43984	71352	54834	204203	35638	78339	46857	36476	148108	132524	47886	3095	0	0	102497	131687	0	55791	58261	91183	104236	73741	1272	82929	66537	55322	62854	56878	38349	70029	103145	105248	91353	45108	86004	62959	42668	258738	314189	367194	56285	50583	38462	33442	45444	0	45830	82326	79092	72654	76741	50333	97001	88724	63267	69654	61747	54783	65610	71501	77801	87847	92703	98864	0	75928	90771	72987	66099	61843	68504	44929	63543	72559	70443	65198	1845	67795	112709	Phytochemical	0.47368422	1.1578947	0.10526316
18	C19 H22 O9 N2	423.1398	423.14032	-0.027019482	423.1398	85848	73020	68716	66952	47548	86120	55398	76082	52788	111474	35454	42110	106350	39676	83452	66478	53408	100312	87112	59762	82228	113866	75232	94404	71230	23912	52898	32456	69472	59936	72490	70598	115456	64912	103326	56874	140404	57140	40796	114038	65314	53334	1984	0	0	92650	92352	0	83546	58572	85582	78128	59052	982	91334	42522	30664	92944	63344	34838	74132	81080	80420	62222	31152	81988	57822	53420	20020	35832	22206	77468	54140	50534	37882	42032	0	58262	79606	46256	61048	63656	45664	54280	54776	53726	75952	57110	68154	65540	57838	106602	158860	65020	79264	0	70848	63976	34740	35082	38038	87788	45594	66422	44340	93488	42462	700	70634	107332	Phytochemical	0.47368422	1.1578947	0.10526316
18	C24 H22 O7	423.14383	423.14435	-0.06662982	423.1438	42452	41081	35512	41118	37250	21992	15053	23230	35001	95610	88493	14383	38655	26317	15554	27164	15435	28299	50212	83764	79836	46927	23312	26614	15480	176563	16543	70092	23125	15789	16084	18746	25907	16513	97222	17390	23175	22984	18513	58550	66137	18583	969	0	0	41164	42855	0	21263	16525	41642	37648	24295	0	31387	36032	20245	31362	16436	23706	22855	43109	38609	27646	19365	41294	23676	23359	134747	171411	238524	17216	17969	14142	14709	22281	0	15139	36934	34328	35103	38442	18617	49103	39722	23946	36831	14982	25454	33246	26975	33899	36849	37859	43961	0	40793	38253	42426	27888	32343	20116	15192	23096	27406	22720	24927	0	22940	32383	Phytochemical	0.29166666	0.9166667	0.0
26	C24 H22 O7	423.14383	423.14426	-0.1141959	423.14377	10411	10275	10200	9319	13823	4204	0	0	11268	23832	21124	0	17472	8488	0	0	0	10533	19028	22297	24218	16104	0	5449	0	55598	1944	21761	0	0	0	0	0	3414	31512	0	2794	3962	5356	17905	23851	0	0	0	0	12066	21097	0	0	0	10405	11306	9158	0	10564	12645	5755	3770	5089	3753	0	9732	13927	10481	3993	15250	6420	2800	62668	47692	81832	0	0	0	0	0	0	0	10457	12730	8943	12364	4209	17226	17299	6903	8828	6939	5300	3979	5526	6330	0	14693	18627	0	10580	9721	10393	14795	13153	0	0	5331	9097	2963	14375	0	3328	13998	Phytochemical	0.29166666	0.9166667	0.0
22	C24 H22 O7	423.14383	423.14432	-0.08339139	423.1438	54044	60310	45646	59259	54163	29317	11838	20107	63583	135919	141291	15387	50155	34458	22785	18429	16926	53326	59085	110504	129346	65440	23854	27427	25837	290917	17108	126061	16607	16197	18509	16468	24403	17590	165399	13695	29320	18822	18518	88142	89600	27303	0	0	541	72629	75678	0	17837	13200	57470	49857	40250	478	49283	44940	23865	22628	22370	22355	20018	61975	58800	43349	31175	49637	35826	19982	246206	271147	332154	16311	13824	10394	7796	19169	423	17897	46866	61667	36289	58581	24392	75978	70257	37478	38515	27356	30874	30017	33218	38440	36566	78608	73315	0	50770	48615	53954	52887	47133	24670	16953	27272	50640	24805	49527	0	25400	55445	Phytochemical	0.29166666	0.9166667	0.0
16	C24 H22 O7	423.14383	423.14438	-0.1032005	423.1438	16048	16814	19291	18208	20224	11555	12199	12981	16211	39385	30476	7841	15261	10972	10984	17396	9234	15431	19617	41102	42070	19047	17290	14561	12824	72164	9672	21080	10605	13288	12203	14634	13634	7567	47925	10670	13976	9145	14243	26528	30975	10757	0	0	0	19016	23773	0	11829	12723	18333	19219	14168	0	14057	13269	9410	20697	9627	11331	10087	20372	20261	14055	6870	14426	16392	8647	65900	79431	82539	12291	9897	13236	12145	10510	0	12667	22791	20544	15202	20094	13515	25883	15307	9250	17287	12966	11933	0	15842	16258	0	21666	24587	0	20695	18939	19618	17300	18216	14020	8692	11742	13657	14895	11345	0	15495	16598	Phytochemical	0.29166666	0.9166667	0.0
24	C24 H22 O7	423.14383	423.14426	-0.10975783	423.14377	30315	28049	30133	28606	26960	18229	3824	8441	35016	69912	73507	6386	38515	18455	8163	13003	7720	30964	39011	63565	61020	29516	14248	11511	4499	156118	6958	68957	8835	8691	4665	8908	7380	5216	79282	7173	15141	7351	9779	45459	54606	13517	0	0	0	37372	49844	0	6961	8313	30327	26570	21810	0	28070	28147	16169	10287	12343	8275	8744	39507	34562	24062	12342	37450	19902	11054	158791	130872	187494	6796	4343	3714	6768	6037	0	7518	22548	34244	23242	31021	11062	43722	42558	20584	17551	10580	14799	14056	13328	17370	15544	48516	39415	0	30686	28425	28805	34200	43340	11180	6352	17394	29983	9879	31102	0	12349	27901	Phytochemical	0.29166666	0.9166667	0.0
28	C24 H22 O7	423.14383	423.14426	-0.07720531	423.1438	5160	4798	3918	3592	5571	2278	0	0	4991	11176	9350	1258	9158	4101	0	0	0	5472	5999	7852	7557	5518	0	0	0	18298	1363	9454	0	0	1137	1046	2564	1208	12547	0	1631	1358	1613	4222	12386	2894	0	0	0	3746	6581	0	887	0	5836	4562	4019	0	4155	2814	1721	1182	1129	1791	2380	3561	8146	4384	1724	6738	2534	1776	26614	19991	41351	0	978	0	0	0	0	0	4541	7025	2692	4509	2049	5893	8959	4378	2322	2809	1723	1679	2665	2893	3970	5820	4987	0	4620	3959	2914	5792	4928	2177	0	4628	0	1839	3128	0	1754	4353	Phytochemical	0.29166666	0.9166667	0.0
14	C24 H22 O7	423.14383	423.14435	-0.19025391	423.14374	13310	12141	12193	8667	3672	5423	4395	8251	6603	12852	14231	8179	5800	4425	6102	8431	7021	7069	9401	13655	18835	12323	6176	6885	7417	26944	6246	8395	4095	6722	6806	0	9478	5350	21709	5899	6018	5669	7376	12904	11468	5596	0	0	0	7362	7614	0	6443	4703	11356	8647	4542	0	3547	7287	4584	6680	8897	10013	0	8236	5603	5789	3180	9071	5834	8197	16468	26638	37292	5107	5951	7609	8668	7203	0	6162	10736	0	8948	9941	7380	9907	9382	5169	7122	0	4748	10709	7980	8362	10244	3503	7609	0	8787	9278	5776	5375	4761	5866	6430	5548	0	6361	5113	0	6650	5314	Phytochemical	0.29166666	0.9166667	0.0
24	C21 H26 O7 S1	423.1472	423.1476	0.0842812	423.14725	12746	12293	12723	28476	11456	10875	2084	5663	10696	49398	18620	2909	17620	9100	5376	8347	4469	16655	12115	39200	36550	31438	4863	9638	8296	22410	2681	20918	4971	4865	3183	4119	9510	4125	48444	6622	11721	7790	5164	28699	22631	7283	0	0	0	18069	14087	0	6083	3202	13522	10714	16720	0	13992	15950	5652	7146	14611	6555	6283	22544	14026	7305	4042	13812	12510	4241	41362	55603	30033	4716	1953	0	3365	2786	0	3320	6256	15859	10356	9382	9097	18727	13602	7106	4239	5094	5696	9479	27404	32879	22134	40454	38212	0	11051	30220	8316	7699	7702	6520	2816	13336	14375	16872	9566	0	6442	14974	Organosulfur	0.33333334	1.2380953	0.0
6	C18 H22 O8 N4	423.15103	423.1517	-0.11214203	423.151	9854	9933	10837	9773	4971	4171	6463	11770	6568	7227	5389	8713	8203	2073	8985	13360	10857	7183	10622	7375	11878	15560	10609	18591	5242	0	6693	0	9142	8281	11290	10091	13537	10104	8810	10191	11540	7914	19548	8284	13620	5714	0	0	0	9574	11405	0	11494	8600	12053	11471	6115	0	10205	4703	4754	12953	8198	9156	12837	7073	10803	6041	6410	6610	7185	19523	0	0	0	8906	8164	8241	5018	7780	0	8198	8531	0	7789	4892	6018	3091	6444	5286	11842	6808	6036	25698	4705	10722	23775	6854	5752	0	12081	11398	3266	4211	5478	13143	7560	11865	0	13227	4567	0	6730	12061	Peptide	0.44444445	1.2222222	0.22222222
8	C18 H22 O8 N4	423.15103	423.15167	-0.112088084	423.151	9359	13630	9142	9727	5589	5224	8943	11099	6536	6007	7456	6644	5811	2433	11604	15168	11956	7836	11179	6355	10021	13283	12187	16561	7827	0	6521	3321	8275	10382	10088	12516	13312	8271	9522	10195	13222	9462	14249	7136	12675	5905	0	0	0	7944	10506	0	13710	10789	8597	8187	4769	0	9153	4567	5872	16776	10608	7738	17305	8275	9293	8575	5368	6644	6986	15038	0	2979	0	13548	10058	5807	7403	9460	0	7080	8764	6772	9016	6623	8320	4304	6259	5170	12390	8069	8346	27177	0	8311	29715	6071	7292	0	11707	9788	5121	4875	4457	14970	9026	15229	0	12933	6924	0	9039	10858	Peptide	0.44444445	1.2222222	0.22222222
24	C21 H26 O9	423.16495	423.16537	-0.08719121	423.16492	61598	67303	59751	59284	60933	57072	28785	61948	73091	145468	48444	37113	119033	33836	58105	64576	29499	104383	100841	107204	116708	64927	63690	67851	45148	66580	21260	36466	54307	44167	52638	53956	60425	48917	141315	49216	75058	42186	38433	79377	52249	32198	3870	0	0	69800	55984	1930	56992	50711	72435	67638	45472	0	93253	61613	35437	65494	51234	21867	66108	57548	94327	73648	27091	87296	44321	35821	67004	128843	93676	63791	58770	55970	36999	47463	0	54744	73080	28606	60872	45618	36674	42143	70763	44203	58798	33781	46740	35913	56654	55523	80122	35871	60516	3056	63229	63188	45188	59076	60415	50440	43156	57082	47700	55847	42215	0	44997	111733	Phytochemical	0.42857143	1.2380953	0.0
12	C21 H26 O9	423.16495	423.16556	-0.069184	423.16492	1764316	1760086	1710148	1717880	802259	686193	1385950	1861526	1045536	2467063	1693100	1071906	909628	464607	1183292	1816896	1382504	1089788	1340554	2771400	2457745	1986562	1435513	1999336	995904	2065040	1177496	693648	1491498	1535086	1440674	1681963	1536797	1331900	2675022	1453744	1439980	1237550	1536324	1850676	2092630	740500	14962	3560	3066	874578	1850926	3170	1805354	1806804	1687411	1765114	816662	2872	1303470	812845	646592	1757172	1624598	843690	1070868	1292842	1220411	979590	543550	1037390	807633	756370	1223260	2753266	2914510	770134	1458740	1735624	1418198	1681800	1894	1219153	1519636	499394	1514338	1217690	1328431	1166509	1024948	648049	1369580	621106	777960	1766126	1225498	1473009	1668822	1034940	1358129	7522	1745022	1853602	958492	821744	838807	1632352	1065191	1960626	691208	1237088	844891	3140	1233398	1199028	Phytochemical	0.42857143	1.2380953	0.0
22	C21 H26 O9	423.16495	423.16544	-0.054430906	423.16495	239398	221547	210652	206122	199373	199512	92312	233448	254146	454965	158532	123740	295554	118699	197957	192506	95830	335835	249701	392066	377092	226763	206646	236009	179423	230872	84378	131541	210299	167181	204321	206406	215722	183944	452464	192371	266707	167757	108687	260108	156870	108270	9444	3447	2854	248552	169571	2590	208179	178612	225672	220789	178969	3563	309147	171510	115280	206653	192885	82063	202995	177572	320449	246587	91802	230209	152979	90552	191857	470433	307332	218284	170024	190888	95603	183857	2251	171616	218473	90657	197267	147763	128970	154533	207392	129326	173915	112163	154546	106434	189561	221387	242442	124662	174662	4891	214408	218049	166002	169233	151092	190893	128795	192530	144734	188712	146164	0	141806	372270	Phytochemical	0.42857143	1.2380953	0.0
28	C21 H26 O9	423.16495	423.16544	-0.08449997	423.16492	14638	14679	13486	12992	13405	10578	5859	16950	13552	32453	9814	6645	22758	7964	13167	14894	9693	21888	20838	36736	33269	14409	15314	17555	11818	21664	5588	13059	14588	13211	11256	12492	17675	10730	29664	13105	16225	9529	9319	16102	11796	7791	2391	1483	0	14009	10314	1121	13437	13854	14546	14476	11604	0	20798	12699	7365	14071	8526	5152	17407	8668	19305	9660	5627	15842	7912	8005	21722	34200	21505	14152	11921	14164	8368	11192	3266	9617	13146	6074	11316	9463	10662	13393	13821	10605	10725	8539	9250	10615	13835	16194	19451	7419	11900	1288	16251	15103	10586	10212	12918	11769	9277	13233	9833	11056	7569	0	9107	19270	Phytochemical	0.42857143	1.2380953	0.0
8	C21 H26 O9	423.16495	423.16565	-0.10837525	423.16492	239204	154398	186436	244872	91195	95718	207340	281072	114664	215704	97992	108050	123324	36488	199469	278780	273222	116543	170920	220576	387436	188292	191292	234800	75829	181912	92850	139452	215396	221068	131669	143913	141266	178772	270380	214694	262348	172783	262656	231876	167085	102208	3852	1704	1962	268932	268776	1890	257484	141281	196148	205386	100632	1690	154674	61489	60310	219136	192099	146428	145126	119864	145290	142966	52196	116913	98819	233904	117792	126802	303064	203884	227950	225896	180129	132954	1996	164012	237937	93440	115678	101722	181324	176332	84062	34644	187110	88288	130691	263914	100318	130020	276738	107004	243224	2552	302928	285192	71156	133500	67956	205624	170620	183030	49676	188028	55296	1138	178288	146032	Phytochemical	0.42857143	1.2380953	0.0
26	C21 H26 O9	423.16495	423.16547	-0.06559608	423.16492	25221	21871	27210	24767	22587	26086	6298	32028	27060	51673	20291	15465	49132	16076	19804	24583	11322	44633	36918	46813	48730	28317	24750	34407	19377	22590	7888	13206	27410	22825	22612	16979	22470	24969	57459	25100	26433	16191	13637	29792	19275	13718	0	0	0	24909	26635	0	23791	23823	26707	26110	19342	0	36926	31658	17414	21444	15654	10329	28498	20718	46868	31242	12754	32155	18955	13346	21570	61188	42135	30256	23589	21110	11575	23148	0	19253	25314	12700	25515	14583	14326	17488	29736	18750	23710	13536	15509	10331	23657	17988	33173	13764	28960	0	28157	25816	16687	22787	27427	20150	20187	23195	13191	18823	14119	0	15515	47403	Phytochemical	0.42857143	1.2380953	0.0
6	C20 H26 O8 N2	423.17618	423.17688	-0.09120861	423.17615	70879	74439	66864	65754	36494	34611	42010	81692	45262	105675	48640	40037	56561	19835	62358	85595	52904	52282	72221	97502	102170	120215	59959	96336	45153	19305	40035	40488	67693	61791	70672	83110	86909	62150	141438	67472	85668	50212	65305	84751	96320	35484	0	0	0	91744	89883	0	83143	65771	77412	64948	37497	0	58595	31389	26442	84852	61747	56721	82867	62914	55111	47027	26552	46199	45732	77352	30385	53149	50326	69277	54883	64810	36912	57066	0	42138	50315	46174	41067	46977	49842	42452	36047	31223	51625	40043	42144	86344	67926	108162	123920	69054	95903	0	71344	69070	25408	31705	35718	81934	44361	100901	55730	74964	29276	0	47091	68474	Phytochemical	0.4	1.3	0.1
18	C20 H26 O8 N2	423.17618	423.17667	-0.17139368	423.17612	57236	46640	45373	44819	22848	35553	40007	70577	29178	59070	24950	28396	39497	14830	54543	49103	30702	47470	51834	59870	44136	67420	43841	72472	61864	15520	35886	259776	53233	59796	61774	58167	74157	63612	64089	64410	80052	40033	35160	58263	33446	30621	596	392	0	59219	27334	0	68755	49648	45994	50871	35861	470	44606	19084	21654	73555	55275	20982	52805	41094	30343	30976	19481	41476	39711	30390	16475	36276	15644	61752	48319	48147	35744	50215	0	39198	41938	27896	31868	26950	46426	33277	24775	25007	45725	31149	37065	46338	78146	93586	112483	30629	53084	0	49552	49049	19715	14597	16460	60677	28099	57154	26506	61360	17705	0	50279	44631	Phytochemical	0.4	1.3	0.1
4	C20 H26 O8 N2	423.17618	423.17694	-0.09157683	423.17615	25931	24763	23627	24328	13214	11171	21204	29436	17130	28153	14793	13523	23647	7139	20311	31256	21191	20169	22703	27230	29895	40114	20897	30804	17996	7709	22923	11143	23155	19081	19458	23099	25131	18659	39110	23551	27177	15782	25368	25921	27792	13133	0	0	0	27007	34409	0	28173	24491	21902	20790	15165	0	28580	12481	10192	28722	20150	19381	31663	20101	22282	18948	8903	20726	15734	21636	11709	13810	15370	19332	17982	23873	14335	17333	0	14857	22221	19424	18538	16368	16805	14029	18567	13497	20099	14497	15437	30026	24992	32485	41990	22288	28938	0	22864	25315	12291	17603	17195	26351	12862	35491	16548	23773	13072	0	17006	22647	Phytochemical	0.4	1.3	0.1
8	C20 H26 O8 N2	423.17618	423.17682	-0.10953485	423.17615	124700	127345	103275	132199	50350	52309	83639	138473	63670	189074	85432	79404	82422	26164	98451	131758	87801	70562	109429	197274	196246	203058	95727	155708	77066	36900	71336	78519	120187	109749	107208	136517	134998	113709	281313	111916	146163	83070	106115	195894	153636	58001	734	0	0	167311	132479	0	142964	122357	120910	121145	59490	0	92240	42266	44521	125031	112126	89358	137174	116572	84181	75201	42942	81892	64302	108057	51245	88779	88687	127571	107403	106122	72251	108911	0	87510	88522	85460	75158	82701	93213	88973	49812	43349	83128	64588	71201	137964	141157	204538	218103	116488	165968	0	129525	123261	46024	52418	48778	128995	81756	171300	88146	122071	38936	0	78647	85885	Phytochemical	0.4	1.3	0.1
20	C20 H26 O8 N2	423.17618	423.17667	-0.072699815	423.17615	11815	13329	12703	11142	11825	9763	13573	20898	9797	17287	0	8510	12184	4587	15993	11993	7718	14602	12315	15243	9435	19957	16792	18965	13809	6724	9479	7045	13820	15509	14144	12274	24441	17968	10760	14942	17492	8280	7182	14919	9830	7559	0	0	0	14218	8980	0	18883	12646	11872	17756	11520	248	11530	4606	5337	21591	14313	6306	14099	11555	7836	7941	5363	10421	10457	8187	3845	9640	5583	15905	12754	10293	7613	11817	0	10068	13753	5834	11539	5196	11348	0	6143	5764	15809	9564	10038	11707	22320	16481	27908	6611	8046	503	14649	16100	4289	5770	3250	19779	8659	15944	8596	24627	2943	0	11761	14709	Phytochemical	0.4	1.3	0.1
12	C20 H26 O8 N2	423.17618	423.17676	-0.15514877	423.17612	216437	211905	195006	193760	64452	89639	203091	292560	96772	259043	118828	128162	93926	45324	187673	196898	162987	127993	171252	327328	285620	360237	183627	261673	189902	83212	127968	128011	255996	194125	247743	230228	293757	217174	371724	233015	253889	169478	170637	341548	207695	102339	1467	0	0	285622	211421	575	260248	237438	216195	198321	108025	291	146960	59926	70925	244832	321752	164176	244570	211388	105971	105140	63030	121061	114664	178399	82559	184693	130243	239054	229661	244177	133128	207517	0	180394	143607	129298	142371	160195	199239	159612	64922	73265	152619	94874	122703	238516	236028	326598	357632	164646	209806	0	222782	213904	77091	53798	44832	234741	148861	276321	160379	232292	63263	483	153350	134527	Phytochemical	0.4	1.3	0.1
28	C25 H26 O6	423.1802	423.18066	-0.12504104	423.18018	8325	6304	8279	6940	7748	2582	2669	4435	6304	11102	12433	2868	10943	6183	4414	6632	5194	6973	12064	10313	13305	6839	5095	6624	2722	27388	2578	10596	3295	4235	3687	3055	5921	3791	13223	3166	4297	3103	3794	8814	11795	3694	0	0	0	5808	7878	0	4862	4803	6854	5696	7644	0	6526	6749	2987	4168	2914	4273	4896	4824	7199	5698	2379	10525	6578	4080	36560	25273	47265	4156	1794	0	0	3859	0	2204	6698	6926	5323	5019	3297	8362	8106	3936	8168	6331	4812	6108	5101	5080	5937	6000	7256	0	7930	8384	6547	11134	10353	5404	2636	5646	3145	4953	6536	0	3516	6390	Phytochemical	0.24	1.04	0.0
22	C25 H26 O6	423.1802	423.1807	-0.08262779	423.18018	109493	118998	100720	108909	102052	64841	43847	70966	92605	176964	211114	47287	82324	79263	64608	84908	69193	100357	108397	218918	222605	103505	73265	95791	64058	538172	44809	186797	64664	61135	75490	70626	79202	64642	201091	67746	78090	61811	65719	166530	198180	64443	2688	0	436	110722	131539	0	66389	65655	111635	107721	78512	878	95580	86623	61482	81527	62344	63909	80834	133136	92564	68838	55067	102925	83782	67433	452095	503737	640882	64864	58281	49658	46232	63694	372	53299	109634	86404	90690	76655	55994	137876	101076	71428	105125	71172	74378	83992	78371	92273	110569	95425	123399	0	98097	117311	103627	95677	87090	85913	54301	85446	72795	80056	88771	0	68082	96724	Phytochemical	0.24	1.04	0.0
14	C25 H26 O6	423.1802	423.1807	-0.2699222	423.1801	8537	13440	9263	10626	6733	4920	10489	11057	3531	5757	11823	9505	3203	4274	9612	14789	12481	4208	6788	10053	11159	8715	6821	12178	7107	16805	9057	0	6642	8026	9350	8285	7421	5311	9350	7080	9902	6762	12045	7836	11396	5474	0	0	0	8616	13099	0	8248	10772	11133	10350	2079	0	6273	4268	3974	9863	6097	12011	0	5888	6902	9517	4732	3545	5397	18870	0	16480	24646	8508	9583	8641	12891	12490	0	6894	12335	0	12339	8124	6381	8491	5973	5048	12227	3614	4969	18962	7798	7317	15191	8980	8149	0	10199	10587	3604	8719	5520	9860	9996	10964	0	8183	4799	0	11614	3191	Phytochemical	0.24	1.04	0.0
26	C25 H26 O6	423.1802	423.1807	-0.09172379	423.18018	26028	23840	26790	23755	27599	17609	7721	21034	25810	38299	57429	9492	40412	18317	18880	19884	14663	26504	32735	58642	57844	25885	19194	28047	15939	136835	7682	51564	11429	10740	12962	11446	15632	14086	56058	9574	16647	10136	14119	42844	58817	17292	0	0	0	31552	26264	0	13293	14369	26961	31544	23239	0	22374	29456	16751	14576	12727	12543	19393	27283	32509	22275	9806	33806	23818	14698	146361	93009	152084	13257	13864	10965	8026	11855	0	10961	27201	25515	16505	22696	15359	41711	31746	12800	25012	17707	16563	17472	13168	12937	27081	32053	26977	0	27014	29761	22433	36257	32729	22583	9322	20815	15329	17684	22639	0	13433	23290	Phytochemical	0.24	1.04	0.0
18	C25 H26 O6	423.1802	423.18066	-0.17947061	423.18015	61751	60244	46690	55059	41105	23654	34611	49531	36597	63879	60746	33053	37042	25325	34507	55552	44367	35741	50998	82511	67660	49913	42300	50527	30206	165304	39380	49222	37581	37638	36647	46475	46725	35410	70806	39726	49668	37302	49654	58137	77693	29558	582	0	0	43685	43918	0	47062	38475	46376	48555	36268	0	44857	34806	31545	58602	33537	41021	49149	45108	41961	33264	21634	44945	33888	54658	132088	146357	219198	36041	32590	43533	37325	48940	0	31337	64865	36146	54262	42029	37847	49226	43361	31293	59626	34946	32754	68170	49786	44908	71730	33658	48700	533	53168	52326	38618	42872	43119	41878	32665	46133	28520	35293	34626	0	51517	35860	Phytochemical	0.24	1.04	0.0
20	C25 H26 O6	423.1802	423.18066	-0.11507583	423.18018	98933	107885	92515	80742	79467	52522	44973	74318	77981	128641	126675	46478	85283	61170	62938	82500	52472	74976	97161	180247	157751	84572	58405	83417	59528	354179	48814	123273	59550	62893	51649	63202	70605	57591	146424	59229	79443	56427	64242	110110	146272	53631	3336	0	297	76063	101668	791	63678	66463	84759	94632	65924	419	52880	64972	51782	75589	41936	57246	71516	80504	78270	60188	42652	80756	55516	67805	274578	328176	455287	59778	57468	50625	52057	54708	0	45494	93817	73043	73021	55523	59093	117631	82542	45402	97936	57741	54945	104698	73297	76342	107606	70590	70125	533	88149	90560	67255	74764	76484	76105	49725	73989	53470	69063	70970	709	67640	76584	Phytochemical	0.24	1.04	0.0
24	C25 H26 O6	423.1802	423.18063	-0.116649866	423.18018	81997	88571	74856	72508	74924	51406	24471	44346	69961	130466	164340	30276	93372	47550	36883	57155	37533	64673	87696	158034	163604	69326	49233	60052	38727	377544	26218	156399	48135	39969	37370	41980	54991	53415	165220	44353	60981	35921	43129	122037	149409	40223	2736	0	0	85414	80464	0	46084	50574	82781	73738	60929	0	59407	59962	37772	51008	49129	38814	62414	96705	86324	55035	29235	90278	63589	40677	374541	311219	435436	51308	47849	30233	24936	40911	0	34981	80013	64950	61221	57692	36467	125129	78123	47074	58827	51845	51263	56055	65087	59524	87037	77109	81217	0	70568	79962	64255	72281	63722	49189	25718	62042	55667	58935	64457	0	47263	63174	Phytochemical	0.24	1.04	0.0
2	C19 H26 O7 N4	423.18744	423.1882	-0.0749279	423.1874	6841	7434	6077	6826	2114	0	3828	8880	3498	2650	2871	4581	2905	2025	5985	5877	8201	5134	5189	2769	4218	7145	6546	7143	6785	0	19746	7801	7303	7447	8346	7260	7601	6169	2923	6056	7606	4933	8614	3281	4505	9858	0	0	0	3279	3323	0	8643	9082	6278	6813	4106	0	4814	1340	2397	8542	3189	3542	4040	2692	4013	3358	2979	4768	5071	10832	0	1122	1119	6544	5654	4365	4549	5281	0	5007	7184	46593	4949	1640	2816	1175	2282	2812	7691	4593	5628	17898	7254	11131	13718	5094	640	0	6951	7196	1640	1895	1345	7022	5253	4144	2266	8782	2513	0	5123	4122	Peptide	0.36842105	1.3684211	0.21052632
4	C19 H26 O7 N4	423.18744	423.18814	-0.13179186	423.18738	7591	6046	5964	8182	2500	4967	4422	8917	2751	2550	2490	5486	3094	1264	7120	9010	7940	5046	6120	3401	2885	8846	6917	7580	6425	0	5919	8517	5731	7452	6329	5961	6850	6025	5213	6532	6586	6295	13327	6306	3603	5215	0	0	0	4694	4156	0	9339	8640	6902	5009	2595	0	4807	1827	2742	8942	4488	4266	9638	2597	3459	2980	3668	4285	3630	10689	0	0	0	5561	6035	6792	4002	6077	0	4867	7411	76477	4657	3086	3910	1587	2579	3402	5288	3728	3966	12315	47062	20336	15906	7265	5391	0	6161	7840	3055	1205	1874	7170	5276	5542	0	7423	2124	0	5287	4541	Peptide	0.36842105	1.3684211	0.21052632
8	C19 H26 O7 N4	423.18744	423.18802	-0.1495438	423.18735	15501	13710	12613	11967	4413	6685	12068	18146	4109	9189	6525	10752	3688	2075	12358	20142	14664	7439	9156	9466	6735	15495	13230	17796	16460	0	12417	8316	15116	10786	12663	13435	14741	13970	10298	11246	15457	12717	18382	10073	9680	9860	0	0	0	11559	8648	0	20645	13714	14261	10724	7771	0	7351	1436	6049	16009	14170	8899	15727	6804	4027	6015	3968	6154	7535	21077	0	2975	2963	13558	10615	10788	8949	10402	0	10574	12088	56921	9206	6074	13347	4766	3531	5667	15394	9420	8077	25546	122267	53820	32469	18603	13666	0	16865	16116	2788	2024	4567	14383	10168	16558	0	13276	0	0	16040	5948	Peptide	0.36842105	1.3684211	0.21052632
6	C19 H26 O7 N4	423.18744	423.18805	-0.17274041	423.18735	13672	14452	12162	17177	4151	9521	8317	16384	4122	6976	6515	7845	5638	2126	12977	20214	10885	7884	10251	5882	7361	19718	10127	21715	9318	0	7425	24639	12719	10311	13655	13662	17749	11814	8704	12078	14988	11474	13478	6964	7905	7237	0	0	0	11035	7291	0	17868	14336	14728	13430	4212	0	5746	1935	4144	17707	7694	5976	14835	4902	4115	3439	4647	5375	8552	16895	0	2890	0	13297	11423	9089	5132	9143	0	8233	9097	171866	9193	3926	7133	3755	4305	4117	10408	7937	9375	25841	157151	62860	30180	24697	11880	0	15511	14265	2638	2208	3529	16944	7770	11723	0	15165	2924	0	10525	5537	Peptide	0.36842105	1.3684211	0.21052632
28	C10 H30 O8 N8 S1	423.198	423.19824	-0.03840036	423.198	3994	1984	2906	2372	0	0	0	45207	0	0	0	0	0	0	0	10769	18158	0	0	0	0	0	0	2432	0	0	1192	0	14273	4738	66494	2151	4792	6778	0	0	7110	0	18709	0	0	0	0	0	0	0	0	0	20412	0	4250	2655	0	0	0	0	0	9654	0	0	10438	0	0	0	0	0	0	44442	0	0	1196	8305	5325	5426	3253	3996	0	0	937	0	1992	0	0	0	0	0	0	0	0	4701	0	0	7140	0	0	0	2836	3044	0	0	0	5324	1262	0	0	9169	0	0	0	0	Organosulfur	0.8	3.0	0.8
12	C26 H30 O3 S1	423.19885	423.19955	-0.2917262	423.19873	0	0	0	0	0	0	0	0	0	0	8975	0	0	1677	1039	0	0	0	0	0	0	0	0	0	0	0	0	0	1679	0	1307	0	0	0	0	0	0	0	2285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47673	0	0	14495	1675	0	0	0	0	0	0	0	0	0	0	0	3359	0	0	0	1633	0	0	845	0	0	0	0	0	0	980	0	0	0	0	0	0	0	0	0	0	0	0	0	1112	0	97509	0	1518	0	0	0	Organosulfur	0.115384616	1.1538461	0.0
24	C22 H30 O8	423.20135	423.20178	-0.09028033	423.2013	186807	176405	178900	182328	142273	152943	86658	184760	182164	370656	128432	90632	270369	99299	181785	170707	67320	268079	285479	347677	291852	192641	167734	202246	140390	168065	67334	108740	168389	144690	155209	173814	214315	152733	402724	183021	278516	118674	92342	210846	96513	89653	5272	0	0	174787	83600	0	185432	132250	181638	174890	124501	0	275744	150983	86052	195046	176295	50820	185162	132098	248832	187179	69539	197701	127780	80594	156010	380758	227012	178202	158770	164811	78663	146302	0	136178	166944	62174	137875	91422	110307	110761	152892	93690	150008	84309	129511	96725	202868	215967	258977	95084	176130	3037	175786	186736	97692	123209	120483	189652	98499	178549	95959	158488	102645	0	109912	270589	Lipid	0.36363637	1.3636364	0.0
18	C22 H30 O8	423.20135	423.20184	-0.075060904	423.20132	1083586	1056550	1027456	974685	747189	656247	791009	1209989	777141	1630658	897498	666703	1011724	460590	985868	1136821	755576	1008744	1228819	1811401	1570504	963333	983589	2550734	831846	1198249	673195	878700	1152379	1058449	1070983	1127918	1216011	980368	1563623	1077573	1215720	837280	859416	1088197	731755	668221	21310	3397	2412	897793	579172	2847	1205721	971698	1047348	1009278	712918	4845	1195765	747354	542591	1168884	896617	579340	1066430	719220	1049132	871389	467901	860389	739609	883305	927997	1737250	1383096	976500	894581	1146910	852152	1135546	1475	755873	1066725	499497	842598	590943	803972	664868	796966	633777	929433	612815	737470	781951	1024291	1124144	1330520	520527	839853	7109	1070761	1030506	645918	709553	696235	1191902	694973	1184723	471816	901514	599504	3518	760339	964759	Lipid	0.36363637	1.3636364	0.0
16	C22 H30 O8	423.20135	423.20184	-0.13754445	423.2013	548945	585801	575759	577568	366740	295819	895764	1363522	439886	616244	434611	423273	438000	216215	535161	709186	535130	480367	609025	1609102	750605	1032738	533473	1475856	919528	629416	447660	385654	1199812	569742	1151560	660639	643719	851648	1357842	1277256	1232172	478923	634789	972444	437214	358397	11065	3079	2280	886812	427719	2156	668122	1211726	580507	553771	383619	3153	563455	378274	305481	693288	934646	414927	679840	311242	493930	415798	242054	428885	377527	593897	520669	811567	767418	1056334	1101544	1354670	582177	1233568	1401	416594	627476	339728	508236	347513	970994	380582	463291	317678	599143	307527	372480	751214	503239	1143240	835943	311005	424678	5773	565424	586340	322826	408491	442546	1279718	373693	1232458	272188	630164	370761	2720	1043664	482130	Lipid	0.36363637	1.3636364	0.0
26	C22 H30 O8	423.20135	423.2018	-0.12495663	423.2013	39640	41389	39615	41224	41616	32057	21706	48156	41650	79959	24282	25744	71567	24401	43956	40235	23585	66499	66363	81287	75895	42401	38016	52949	35912	40623	17766	29631	46263	40688	37369	38576	53231	38335	81851	43592	59480	26813	24908	51332	34519	28445	0	0	0	34810	20692	0	54978	37114	44384	40298	32921	0	61319	41381	20886	46508	30465	17357	48210	27126	61575	45284	16712	48668	35476	21752	45178	96756	73769	35755	36121	39883	19576	35465	0	30595	37756	14937	30822	19643	29873	30274	40980	25606	43199	27881	28831	28869	45593	47250	60980	19466	40386	0	40811	41065	26278	40262	39006	47687	21520	35830	17833	34988	24896	0	24963	65184	Lipid	0.36363637	1.3636364	0.0
28	C22 H30 O8	423.20135	423.20178	-0.15183443	423.2013	16432	14535	17570	16803	18017	10868	9254	14507	12676	30634	12316	6695	24052	10459	11716	17288	10284	20161	21676	31465	30281	14020	14878	20026	10164	19625	9609	13745	12800	15147	11171	15634	18263	13750	31323	16328	20813	7968	11526	17701	9962	9072	1612	0	0	10902	6982	0	15216	15868	16954	13681	11878	0	19826	13942	8560	20962	9024	5992	16657	10586	19984	16028	5847	20529	13620	10610	16803	37630	30493	13915	11807	13506	9313	14844	0	9687	17223	6511	8806	6790	12357	9633	15265	8830	15326	9207	11097	10555	18498	17977	21315	5521	13627	0	14088	15401	8395	12262	14706	18379	11416	15408	5295	13043	8435	0	8006	19878	Lipid	0.36363637	1.3636364	0.0
14	C22 H30 O8	423.20135	423.20187	-0.1530762	423.2013	268411	274225	263129	274364	143407	126876	254520	300839	176893	246227	184344	215757	176674	99029	232641	342067	329281	185602	209551	612172	564788	280481	223801	323075	422096	245769	231968	199302	252103	293115	240956	339244	281041	193906	533398	291410	245116	216403	331561	386200	234253	158471	3869	1218	868	419086	241870	1103	282119	275024	502442	235382	153887	1421	211371	150929	136676	670406	266570	242521	348723	288918	195983	179488	111189	159586	162221	334675	238551	589316	300011	198625	227259	288179	285454	275317	724	202619	303150	145027	246423	319068	458428	317916	207804	147677	294270	135046	154718	430185	211313	463600	708626	161697	376856	2764	265630	257643	141038	182842	198457	270224	193936	626078	183291	253483	147461	1142	255748	177759	Lipid	0.36363637	1.3636364	0.0
12	C22 H30 O8	423.20135	423.2019	-0.16336969	423.20126	114384	123422	114249	112582	44485	39434	111522	123592	58261	87453	69682	70986	41863	28595	81719	148322	138279	49667	80034	114382	89519	121874	85224	136822	70590	77062	108906	50730	84027	104812	99565	117578	95434	72320	167772	113183	96885	74574	153904	81314	87091	52788	2142	710	670	90205	103518	610	119416	121672	109944	106023	43177	1000	78672	54992	46263	121669	92726	95967	137925	46542	70241	62059	38692	44643	55508	156066	86324	91653	205722	75466	78997	120417	142177	103052	448	71819	101424	57839	89021	60910	167482	52559	74225	50261	110861	35789	47626	163525	90652	179012	124744	56467	79940	1650	113357	123879	55730	63299	71167	105773	65660	130047	57952	90753	58915	797	87782	61211	Lipid	0.36363637	1.3636364	0.0
10	C21 H30 O7 N2	423.2126	423.21313	-0.19539747	423.2125	34032	34087	28996	29235	13152	17351	25143	39859	17481	39223	11926	19624	16979	7791	26390	37688	26982	18954	28509	46083	35956	53444	26638	42531	27665	12718	21852	20842	45036	0	0	41632	47853	36146	47447	36826	47614	20121	0	47175	22008	16421	0	0	0	31346	23514	0	45206	0	31467	34745	15735	0	22118	7759	8376	47884	16058	14604	44903	20024	15801	12880	9863	16779	15562	36851	9469	29005	16529	37779	36116	34434	28252	30452	0	19148	23996	17087	21566	14135	20214	23464	9369	10754	25742	15947	17687	44979	54550	51520	71026	24290	45504	0	34288	32985	8473	7910	6583	44684	21364	44354	14484	36824	10094	0	25071	19393	Lipid	0.33333334	1.4285715	0.0952381
20	C21 H30 O7 N2	423.2126	423.21304	-0.1880607	423.2125	108453	110607	89899	97044	85034	61361	71648	109469	72402	82601	82603	80022	65906	62292	95638	128178	129457	79743	104430	118885	118961	98028	86127	123203	88302	201892	89998	86928	112513	101858	85985	99704	120813	73605	102816	100709	135102	84856	136725	97307	123363	71265	2038	0	0	84633	97402	0	106210	86971	112963	105600	75427	1133	67690	68924	60400	133299	93272	87196	111857	55172	66258	57590	54416	77453	70382	146242	164495	185496	263049	92079	81470	92251	118934	88218	0	71168	137434	78600	101084	50965	85900	79530	93565	67493	138331	68867	66810	150894	151672	138210	170070	70637	89322	0	103964	102414	66184	88231	86732	123789	73742	109842	54720	107005	86011	0	104017	83413	Lipid	0.33333334	1.4285715	0.0952381
4	C21 H30 O7 N2	423.2126	423.2133	-0.104069255	423.21252	10095	13924	10433	9976	4952	5150	5121	15628	5158	11342	3979	6724	6680	2438	10166	13424	8778	6589	7424	12106	13748	15091	9171	32262	11210	4189	5476	3826	12229	8736	9672	11272	15078	9540	13004	11986	14746	8050	12470	11502	8825	5267	0	0	0	12750	9010	0	11742	11487	11154	10111	4976	0	10075	3665	3144	13462	5474	2961	15685	7843	4598	5601	2260	4991	4964	10974	4014	7618	5163	10981	9870	11556	6408	9592	0	7610	8774	6898	7298	5203	6881	6898	3065	4661	8670	5339	5313	13115	16282	18021	25768	7395	13735	0	10467	12228	3702	4255	5057	14634	6146	16523	5330	28057	3352	0	8431	6141	Lipid	0.33333334	1.4285715	0.0952381
6	C21 H30 O7 N2	423.2126	423.21326	-0.13540429	423.21252	25498	22234	26507	27527	9365	12207	16554	29163	13594	29696	12566	12810	16613	7114	24146	28200	14830	17470	23220	44527	35909	37432	19192	33568	21826	9183	10918	9120	29794	21328	24899	25968	33417	23481	38308	28528	34966	17117	21727	31290	19915	10005	0	0	0	22220	17348	0	32160	21301	23790	25857	12546	0	19606	7050	6728	31488	10351	7484	33127	17231	12566	11920	6605	11516	14478	24480	8060	26081	19324	26350	21411	25435	17889	19487	0	16982	16661	15553	12794	9446	12171	16341	6864	8516	18117	11109	14041	32309	39754	45006	53820	19338	29014	0	23091	21287	6256	9950	6541	26813	13292	37054	10215	25745	7905	0	17391	16454	Lipid	0.33333334	1.4285715	0.0952381
18	C21 H30 O7 N2	423.2126	423.21304	-0.24785624	423.21246	25786	26648	26488	23331	12776	16609	23981	43333	9486	19205	9293	18839	14630	8164	28385	26252	17775	19942	26377	30013	17499	35512	23712	37851	30042	7812	16808	11416	43865	33105	36180	41985	56777	33949	30934	40583	55152	20532	24619	30762	19764	17492	426	0	0	26210	14027	0	39183	31899	21445	23114	18846	4057	19123	8709	10407	39516	33465	13860	25761	12827	10476	9897	9313	21508	26127	25975	6587	17843	11933	31548	31829	31657	25606	33590	0	20611	18776	11281	19164	16126	23688	17956	9513	13355	24166	20150	20352	28324	55290	54930	52696	10494	27517	0	27806	27044	8390	6650	5311	50023	16825	34198	14416	33636	7373	0	27708	15185	Lipid	0.33333334	1.4285715	0.0952381
16	C26 H30 O5	423.2166	423.21707	-0.19661342	423.21652	12306	13408	11061	8348	3998	3198	17256	11672	7395	6849	8504	13644	2601	4373	9513	18355	19754	3845	5719	9376	6775	11298	9079	12845	9255	16212	12855	7823	8447	14186	10951	16723	11460	6001	7796	9985	8780	12917	26596	5242	8791	6142	419	0	0	4616	10330	0	11059	11957	10382	14777	7142	0	4940	5197	6396	15962	8580	15815	9883	3099	5792	5512	6720	4167	6342	25271	13799	12396	16005	6389	12414	12703	19161	12493	0	7912	19708	13682	15722	9502	13974	8220	9967	8875	20214	4147	4715	39591	12044	10340	0	8599	10152	0	11570	9962	7077	11133	13734	10655	10929	13173	3924	0	13952	0	20720	2811	Phytochemical	0.1923077	1.1538461	0.0
22	C26 H30 O5	423.2166	423.21704	-0.1554432	423.21652	138741	154160	122899	130133	144642	81669	84033	126580	119893	144552	171396	91388	93404	80635	99972	163798	149799	98749	133881	204364	194264	125188	111204	142741	103134	475940	92762	159242	112480	115109	104569	126123	150543	94993	142250	118872	136740	107475	161491	160035	182618	89111	0	0	0	102219	135264	0	122610	114736	146023	124857	115949	457	115319	97423	92113	139852	83778	105031	132009	111895	103413	84743	84273	113830	116086	165061	353892	372041	498624	92223	89051	101117	109254	117806	0	90818	178742	143713	130370	84562	97755	123933	137528	98531	175023	101600	108465	193341	114550	121471	162001	132783	125434	0	127258	131932	108725	121170	115917	165865	92396	139251	77707	126014	117560	0	119873	103639	Phytochemical	0.1923077	1.1538461	0.0
26	C26 H30 O5	423.2166	423.21707	-0.112673	423.21655	72412	70221	70771	69019	82108	43890	29287	72817	58322	75287	126558	42002	72770	45195	56609	78172	61858	68279	89071	129102	124099	78526	47805	82588	66056	317227	31773	133783	64585	69835	62030	60488	76882	56287	113211	68344	75254	42624	55951	102342	117526	53772	0	0	0	68550	71100	0	64321	63087	84529	72218	62026	0	59109	70750	45670	65064	52312	44596	79646	61685	63723	53569	29516	78527	80651	63585	306319	205046	278247	50612	53505	60498	40098	60916	0	47450	79670	124628	57757	55699	52329	96023	81715	48149	95325	50215	52131	64749	54920	59582	104285	165265	82178	0	79094	78656	55391	80604	86275	80743	43117	71918	58809	61819	63322	0	60761	62451	Phytochemical	0.1923077	1.1538461	0.0
28	C26 H30 O5	423.2166	423.21704	-0.15349106	423.21652	14457	13770	13261	11197	16737	8004	7818	12268	12579	14633	16215	6629	16492	8467	9180	13323	12787	11393	17454	15800	18120	12269	8506	13110	11131	45970	7882	17688	13906	10528	12071	12413	15849	11178	17417	15292	11354	9739	10409	14558	20105	11373	1278	0	0	7524	10245	0	11051	9789	14586	13635	11774	0	12280	14601	8462	16152	8511	7497	15765	10777	11840	7478	6697	19122	15126	13530	45183	27158	44606	9121	8073	12563	6023	13464	0	8659	17838	14146	10273	10514	7595	16474	18609	8257	19182	8687	9444	12971	9253	9551	12047	15171	8656	0	14375	13301	11725	24021	23217	16206	8041	13981	8660	14286	12870	0	10137	11171	Phytochemical	0.1923077	1.1538461	0.0
24	C26 H30 O5	423.2166	423.21704	-0.10301631	423.21655	143095	152830	140762	142580	139979	82020	71308	129438	125959	180188	249322	83603	130481	87304	100240	168354	119891	117924	181362	250280	231499	124801	104957	147636	101795	650938	74825	227142	111900	115028	110349	118826	147170	109172	199460	120997	144079	83776	130401	200160	236345	89400	3588	0	0	127477	136819	0	128086	117191	142296	141013	122660	0	118426	102633	78013	134767	94064	85265	145126	138886	100075	103965	66471	131175	127029	141940	498746	427338	603319	99638	108748	104578	87993	115388	0	89560	167090	122901	116149	91512	103408	159087	134156	98475	164394	98785	105671	151518	120282	116891	177778	139898	152614	0	141431	143191	101598	119313	126981	165372	75686	165809	92340	128649	110587	0	113175	115050	Phytochemical	0.1923077	1.1538461	0.0
6	C20 H30 O6 N4	423.22382	423.2244	-0.19153002	423.22372	10514	10814	7388	8117	1103	7538	1582	3732	736	2057	4443	2108	1241	1005	4240	5304	2494	2073	2069	0	1082	4347	1993	7029	4303	0	1922	92435	3324	1813	2572	4114	5995	2262	0	3427	5676	3239	4688	0	0	1902	0	0	0	2063	0	0	4550	1857	9606	10987	1146	0	1367	0	960	4105	0	0	2708	0	883	1042	1761	925	1365	5537	0	0	0	2608	3450	1658	1806	1328	0	2252	2147	407105	1708	0	1524	0	901	1606	2668	2043	1413	5242	340649	104645	8548	36065	6695	0	10622	7943	1217	570	0	4950	2737	2535	0	2456	0	0	2532	944	Peptide	0.3	1.5	0.2
10	C20 H30 O6 N4	423.22382	423.2242	-0.25340867	423.2237	2523	3594	4735	3947	0	2330	1540	1635	0	0	0	0	0	0	1366	0	2149	1008	1226	0	0	0	0	2748	3901	0	1686	14223	1797	1411	1887	0	3977	1134	1984	1890	3498	855	2744	0	0	1842	0	0	0	0	0	0	1812	0	4115	2992	0	0	1882	0	0	2542	0	0	0	0	0	0	0	0	0	2278	0	0	0	1131	1691	1717	1761	973	0	1055	1273	199017	909	915	924	0	0	0	1316	0	1082	3871	172294	27006	4870	19792	1777	0	3710	4545	0	0	0	2653	0	0	0	1959	1044	0	1871	0	Peptide	0.3	1.5	0.2
4	C20 H30 O6 N4	423.22382	423.22458	-0.09603032	423.2238	3118	3265	3042	3481	1116	3393	755	2251	726	2187	1840	1225	611	0	1853	3573	1872	780	1709	1296	0	2493	1881	2354	2406	0	1169	18030	1539	1371	1627	1972	3761	1663	0	1410	2305	1451	4037	1133	710	1296	0	0	0	1626	1096	0	2235	1489	3147	3253	805	0	537	0	474	2541	819	0	2419	0	368	1000	0	946	720	1828	0	0	0	1400	1206	1600	0	0	0	1452	1368	112257	1390	0	846	0	0	598	1747	1187	1198	2185	129562	36710	4765	7236	3187	0	3118	4344	0	356	616	2251	1261	1956	0	1823	455	0	1455	808	Peptide	0.3	1.5	0.2
8	C20 H30 O6 N4	423.22382	423.22433	-0.205526	423.22372	9567	4749	7853	9325	0	7817	0	1718	718	1757	2097	1501	0	0	1769	4341	1659	2061	1315	2530	0	4574	1851	0	3133	0	1900	70597	2883	2033	2802	3437	4696	2151	0	2028	3893	2077	2143	0	0	3115	0	0	0	0	0	0	4075	1706	7878	6994	1491	0	0	0	959	3219	0	0	0	0	971	712	0	1018	858	3414	0	0	0	4687	1747	2731	960	851	0	1819	824	403939	1431	0	862	0	0	0	3502	2307	0	7224	314755	90313	6856	27512	7768	0	7229	6744	1041	0	0	3306	2355	2484	0	4379	0	0	2645	0	Peptide	0.3	1.5	0.2
2	C18 H34 O9 N2	423.2337	423.23462	0.13618244	423.23376	1513	2419	2182	1213	1485	0	457	1677	0	0	0	503	1743	489	0	1059	489	1743	1936	0	0	459	788	1195	979	0	0	29852	1220	1020	1210	691	1884	3554	365	482	1195	0	0	0	0	0	0	0	0	449	228	0	1571	961	1248	0	746	0	0	350	393	1553	0	0	1505	0	1690	309	0	2163	0	857	0	0	0	4717	2079	1224	752	1013	0	418	759	69974	733	4979	0	0	481	349	722	729	0	0	23904	1535	2078	1398	0	0	1231	1469	0	0	405	599	0	419	2926	1068	467	0	725	2804	Lipid	0.5	1.8888888	0.11111111
14	C23 H34 O7	423.23773	423.23825	-0.1639491	423.23767	13582	12863	17576	18302	8373	8915	24687	17971	10967	6510	8524	14840	7366	7462	18276	25044	27272	7179	9834	9269	10683	8305	13587	17969	16805	8033	22126	9374	15045	20479	14097	24668	13075	7145	7175	18586	12626	15149	30435	3962	6468	6546	0	0	0	9601	8634	0	22426	17898	13444	14306	8376	417	18910	13756	9719	23484	7164	19713	0	2960	10271	9065	10464	9146	8356	31704	0	7686	13062	8862	8864	20761	23326	17456	0	16144	22800	0	18217	9849	13751	8419	19047	12368	24967	4956	7597	44661	7973	12534	15991	4622	5038	0	18572	17576	8845	16047	26554	16741	12944	14238	0	13796	13575	0	18474	9853	Lipid	0.3043478	1.4782609	0.0
16	C23 H34 O7	423.23773	423.2382	-0.19505829	423.23764	44652	51888	47285	51029	36155	28667	56770	57938	34050	28146	22384	33990	34859	20898	47534	70449	77525	28820	44755	31738	31335	41476	40194	53498	46308	29233	52379	24474	51269	56016	45697	49451	49868	38759	30210	58625	50494	44608	86047	21226	30337	30928	1863	357	0	26712	37105	448	64516	46905	46701	52676	28632	270	55258	44790	31148	64046	31783	39850	54697	11272	42002	37790	30116	34253	32937	74424	21203	29739	41115	32241	46599	56984	70399	58521	0	37941	69467	25167	41857	26262	55435	33673	59501	33572	79222	27343	29535	83242	33090	43256	51629	23979	30293	749	47408	52423	28037	56527	74145	61002	29457	43372	23312	50191	43985	0	51503	35563	Lipid	0.3043478	1.4782609	0.0
20	C23 H34 O7	423.23773	423.23816	-0.17696254	423.23764	269869	255882	275720	240405	216180	183537	300613	258442	225143	232819	165097	164100	272226	172639	246132	297682	263428	279442	364849	292844	265696	212330	203084	245173	214789	245380	268517	156125	320678	261703	220935	283631	352387	233309	256470	299234	325368	189105	259282	173886	150158	178897	8505	0	489	187618	151446	731	290254	214497	255377	251690	204261	1336	317941	238760	162925	306020	188469	142621	282815	127031	266869	242758	152494	257375	219422	256169	168216	278565	249849	199217	240396	276978	284769	246654	341	178052	257626	153113	178426	115742	334106	269054	274568	200391	305383	174812	206784	249394	272964	271585	337731	140184	159667	3059	250441	278335	174880	286535	305851	363423	174865	276455	136720	239909	225548	0	195740	275825	Lipid	0.3043478	1.4782609	0.0
26	C23 H34 O7	423.23773	423.23822	-0.10223276	423.2377	77848	74268	75489	78515	69193	52362	63180	91866	82055	102317	44487	38967	118098	63822	79042	66369	30989	129037	165413	140052	113807	89720	49995	74820	71443	61599	51899	67618	101175	87443	84369	89150	109139	74942	158047	93572	147495	60148	40948	90575	36441	59161	0	0	0	64849	24944	0	94895	53583	77795	72968	67927	0	140930	85137	42313	91636	87882	24262	81721	55602	105616	84913	34356	95955	81796	40017	54620	138151	73255	68576	69937	83318	46682	71485	0	48727	58096	44439	42455	38463	75111	59316	79294	43281	73025	51161	66130	42722	121859	133499	118208	48669	80170	0	78811	86785	42349	67950	74770	112576	44583	113269	73410	56826	49264	0	51147	99853	Lipid	0.3043478	1.4782609	0.0
24	C23 H34 O7	423.23773	423.23816	-0.12070102	423.23767	301640	295033	294816	305263	272469	241221	239953	294967	298810	486663	197631	129262	396671	196845	255998	271391	138756	446945	571960	539285	430027	298756	212041	264378	246820	236278	207441	240626	363154	265041	261903	330872	424750	282177	598991	341248	509454	198374	168429	313245	129327	186464	10138	0	0	251085	123692	0	321679	204320	295499	285434	249019	0	502096	274173	157154	334401	316842	91758	298220	193357	374603	297450	136862	360735	271385	162183	181824	480404	275653	252062	270284	305567	165225	258667	0	211119	213890	137760	164020	159173	274062	197922	248009	199311	242112	166334	270968	154366	450855	463081	370879	164327	285084	2310	296359	305171	177056	224772	241537	378220	150923	348641	196733	275566	189547	0	186175	389476	Lipid	0.3043478	1.4782609	0.0
20	C22 H34 O6 N2	423.24896	423.24936	-0.13149524	423.2489	2024	2566	5437	2480	1968	2036	3225	4958	1308	0	2159	2850	1849	0	3116	8305	6379	1655	3309	0	0	2439	3962	7400	1787	0	4168	1420	4799	2877	3226	5155	6981	6131	2477	5109	6140	4704	7581	1466	0	3664	0	0	0	2779	2910	0	8523	5784	3810	3112	1527	0	0	0	1496	7823	2389	3053	7523	2119	0	0	0	0	3092	9321	1447	0	0	4165	4514	3288	5752	3759	0	3611	4550	2782	1377	2453	3632	0	0	0	4609	5026	2653	31935	17824	13699	5618	0	1825	0	4982	4020	0	0	1750	4609	3326	5190	2053	6560	1624	0	1911	1791	Lipid	0.27272728	1.5454545	0.09090909
22	C22 H34 O6 N2	423.24896	423.24933	-0.13300733	423.2489	0	2515	1991	4093	1685	0	2839	3244	0	0	0	2309	0	0	1517	8545	4736	0	0	0	0	2651	1805	4175	5199	0	1417	0	3780	2500	4062	0	4702	4036	0	3428	5309	2231	4022	1504	2170	2967	0	0	0	1846	2118	0	5104	4204	3007	2930	1986	0	0	0	0	17550	2037	1378	9734	0	0	0	0	1854	2316	4214	0	0	0	3143	4586	3706	1863	3211	0	1508	2050	0	1548	0	0	0	0	0	5327	2254	1925	25809	12501	12331	9672	0	3110	0	3978	4308	0	0	0	1759	0	4192	1326	7630	0	0	5218	1699	Lipid	0.27272728	1.5454545	0.09090909
22	C25 H35 O4 Na1	423.25058	423.2511	0.2791848	423.2507	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19637	0	0	0	0	0	0	0	114363	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6820	36775	0	0	0	0	0	0	0	0	0	0	0	0	2413	0	37161	0	0	0	0	0	29380	0	0	0	Lipid	0.16	1.4	0.0
26	C27 H34 O4	423.253	423.25345	-0.1309903	423.25293	105837	110368	100148	100018	138637	55770	70311	126474	101922	69478	138986	76877	84768	68199	102820	130673	137169	79336	139381	121544	110839	103246	81383	116081	106074	321006	84396	135088	120323	138900	110256	135474	142371	81153	88387	151043	123189	82435	129521	97118	119644	79707	0	0	0	68366	68610	0	108593	115696	103888	102480	107950	0	112343	98471	67793	107629	69584	75230	118611	68532	85364	79289	48242	85513	111968	156888	273967	171868	224185	78646	84340	136679	96542	123782	0	82002	124243	166040	90663	76739	85681	105485	142162	119365	152935	77606	88007	124340	83936	79821	117381	173178	130047	0	99337	124177	81959	138710	161837	194291	67454	130910	78749	92824	119661	0	92117	76296	Phytochemical	0.14814815	1.2592592	0.0
24	C27 H34 O4	423.253	423.2534	-0.16797683	423.25293	121302	122499	114699	129717	165403	68294	91685	126720	106366	93495	140287	94638	76900	78708	97522	157386	198204	85586	157978	130137	121480	89877	93689	116522	100258	270401	108637	128232	118978	144191	104372	126178	140682	97048	104542	150706	137018	92950	203034	97650	147039	81943	0	0	0	75308	90565	0	129717	123531	121291	132642	124914	0	121457	106151	82927	147146	73506	97805	137469	65186	91390	96641	78659	97089	96105	219507	196349	168644	269545	76702	91988	129419	134428	125858	0	88277	146433	120207	109058	65319	92552	91018	159752	93320	179110	94353	103749	179971	114095	88891	137385	97401	111069	0	119446	111842	96431	144615	156422	178297	82976	144784	53489	116364	142201	0	127472	92322	Phytochemical	0.14814815	1.2592592	0.0
28	C27 H34 O4	423.253	423.25342	-0.18063395	423.2529	28635	24277	24582	22408	40433	12117	20497	30727	22282	13339	31132	16877	22349	16521	18847	26228	27755	17798	36215	23022	18002	19586	16575	25110	28419	68525	21038	35914	31665	38009	26895	28775	35153	18088	21363	34577	27180	20273	26137	20293	22927	19084	1170	0	0	17660	12772	0	26863	30808	24382	19826	26469	0	24375	27355	15196	32049	17327	12634	26388	12552	19879	21647	12841	28950	26338	33440	57192	29110	40680	15750	21583	34824	15782	25739	0	16253	32122	44962	18452	19361	19887	24669	36650	18286	43544	18645	17758	30770	16911	19696	30634	51678	12689	0	24297	25302	20358	47163	55446	42829	17527	30048	17619	27295	30569	0	20965	18343	Phytochemical	0.14814815	1.2592592	0.0
20	C27 H34 O4	423.253	423.25342	-0.17567748	423.2529	23194	29599	23645	26966	25031	8218	40166	29976	24340	7177	13869	28252	10934	12903	23406	37866	80207	13176	27261	14131	13484	25643	21767	22307	24590	31076	36629	16182	24123	30134	23665	22773	33497	15686	14637	32876	27058	28646	77697	11072	27572	16843	0	0	0	12177	18037	0	27447	28612	22951	24462	25686	0	27173	27500	19019	35853	14616	33817	24962	8630	14250	17431	23270	13804	17500	88052	18395	18754	34799	13624	15721	26249	52345	23934	0	17819	40719	18994	28066	9004	24042	11918	41091	26493	47269	15569	19704	66953	24638	22619	27860	13038	14028	0	24074	27151	23827	38927	46384	39885	22666	24653	12622	26375	32194	0	40767	17176	Phytochemical	0.14814815	1.2592592	0.0
8	C21 H34 O5 N4	423.2602	423.26068	-0.15014212	423.26013	0	0	0	0	0	713	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4012	0	0	0	0	0	0	0	0	0	1251	22626	0	1749	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.6190476	0.1904762
4	C21 H34 O5 N4	423.2602	423.26074	-0.19565357	423.2601	460	583	670	457	0	6586	0	0	0	0	0	0	0	0	0	815	0	0	0	0	0	0	0	0	328	0	0	6053	0	0	0	0	0	0	0	0	0	233	0	0	0	611	0	0	0	0	0	0	0	0	672	614	0	0	0	0	0	583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	387	0	0	0	387	0	27631	0	0	0	0	0	0	528	0	0	718	38820	7558	691	0	0	0	536	434	0	0	0	0	0	0	0	327	0	0	0	0	Peptide	0.23809524	1.6190476	0.1904762
6	C21 H34 O5 N4	423.2602	423.2607	-0.17623383	423.26013	1191	0	1081	0	0	5206	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	942	0	0	0	0	0	0	1307	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9156	0	0	0	0	0	0	0	0	0	0	29734	2334	0	2318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.6190476	0.1904762
4	C19 H38 O8 N2	423.27008	423.27057	-0.10264258	423.27005	1090	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	584	0	0	0	0	0	24443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	650	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50907	0	0	0	0	0	0	0	0	0	0	81108	28025	0	3855	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.42105263	2.0	0.10526316
28	C24 H38 O6	423.2741	423.27457	-0.10614591	423.27408	11921	9889	13702	12364	11172	5993	41608	13040	8237	6873	8975	6130	9985	9247	7007	11045	10661	7917	20645	18432	11042	5898	8052	8407	15890	9382	35934	17965	32657	23155	15132	17675	25230	10894	12935	24829	21451	7407	10578	10272	5045	10740	0	0	0	8592	4012	0	25732	9686	11487	11594	10338	0	18474	12180	9188	14405	35631	6852	11775	19355	9047	11932	13281	18992	20184	8229	5665	8226	4442	4651	7097	16303	8291	16357	0	8819	9385	10924	5135	8509	21368	12213	11323	10535	14971	6857	14060	9161	19551	23815	12194	8727	5215	1142	12813	11891	6613	12126	16624	26569	8624	38328	29916	11646	9131	0	8386	7232	Lipid	0.25	1.5833334	0.0
26	C24 H38 O6	423.2741	423.27457	-0.15349598	423.27405	73841	71685	74925	71787	64587	39244	249182	59964	59477	46729	53789	32833	63945	79267	55638	68274	72237	75991	109557	71044	51762	56008	56474	41255	75070	51083	203453	82167	114791	81999	57785	97185	109339	64874	87267	105910	111075	52557	74519	56557	36694	54588	0	0	0	43418	31335	0	94475	56391	77909	67043	63018	0	86968	68360	51566	96745	114533	39115	82784	71441	71838	54949	57153	99198	120466	78095	34068	53098	45244	40952	60367	81306	51797	72850	0	46105	56583	66564	42815	55067	120348	86564	66088	60046	97656	45090	66248	113472	125389	136091	119898	42275	46203	0	77691	83966	46414	69411	83706	131415	38361	94000	131893	58029	51065	0	62434	61645	Lipid	0.25	1.5833334	0.0
20	C24 H38 O6	423.2741	423.2746	-0.055854674	423.27408	8900	9780	10255	8860	11244	5682	40903	10903	6094	2943	5257	10689	6157	12271	10638	17184	34642	8621	8444	2396	0	4264	7341	7687	9679	11761	34647	5862	13673	15062	11030	17603	12968	9212	1919	16473	16574	9235	37516	2208	2465	10695	5068	7475	2870	4397	5322	7317	14872	10378	11751	11344	10457	4662	7257	11402	8638	13503	6007	9224	10252	0	10460	9560	17119	9683	13316	40724	1592	0	6505	5380	10193	16395	23255	12230	3893	7015	12111	11698	7662	5797	54657	45297	12477	13130	18834	6069	9085	34943	13898	9449	10542	3370	3645	7742	13560	12878	8832	13265	19464	18489	10124	9478	5341	11660	12151	8496	15209	3684	Lipid	0.25	1.5833334	0.0
22	C24 H38 O6	423.2741	423.27454	-0.20338866	423.27402	44342	42395	33762	39154	28363	21904	177377	26437	24233	16415	18080	20751	34260	40197	30273	49703	76135	30060	41489	17492	16038	16946	21958	25052	40483	47462	165545	28762	39801	34277	29220	38480	43996	35003	18902	45883	40605	26686	96188	9622	22408	21254	2972	0	494	15046	20493	0	38765	27297	45536	36163	33036	792	33636	30774	23563	42654	15922	26838	43435	11160	38410	27058	42704	53099	42888	96819	6131	13562	25449	26002	34089	35316	53709	32276	336	22092	33762	24825	21936	22784	142531	117938	40047	35633	48115	27450	28249	69369	53146	49410	40399	16436	22412	0	36668	40884	24262	40298	44313	58494	21871	32229	18787	36729	31037	0	31342	28264	Lipid	0.25	1.5833334	0.0
22	C28 H38 O3	423.28937	423.28976	-0.2388911	423.28928	11599	10933	12045	11065	7983	4511	23693	13832	9241	0	4047	15350	3644	8900	13969	26158	74774	0	9104	0	0	4117	10296	7241	15966	0	26926	3744	13789	29535	13674	15537	15115	4480	0	22049	9652	15490	80686	1546	6203	10939	0	0	0	1576	4600	0	14889	22003	12085	8899	8880	0	10465	11678	10133	20145	5667	11988	8669	1131	5605	3390	9863	4472	13523	93450	3167	0	2318	3796	5708	29181	53395	29331	0	10618	22069	6368	11857	2097	7140	2504	23776	19019	33353	6633	7349	58993	7689	5466	12656	3644	0	0	12013	10263	12909	20376	20591	23986	15083	5495	3494	10612	22362	0	21659	0	Lipid	0.10714286	1.3571428	0.0
26	C25 H42 O5	423.3105	423.31094	-0.20138924	423.31042	27331	21691	22362	22978	10091	7851	427556	18948	3229	5006	30148	10836	4131	70516	8757	17056	32619	4715	9516	8705	5252	9956	7051	5902	16652	41205	389312	48610	31516	29192	11257	25086	16553	19067	6243	31256	16299	13157	33862	6780	21994	14958	0	0	0	8699	12198	0	30554	15280	23002	25201	26199	0	5484	11929	13851	23187	23186	28095	40473	15391	26795	5021	57061	23014	38268	35468	16089	7089	13147	9993	14554	14100	28408	15601	0	7205	12252	38351	7542	26722	59083	68177	0	10022	33180	9695	19644	54579	33015	36151	13732	11851	7858	0	26457	22380	13039	5644	10996	25991	8744	35264	34907	10509	4370	0	17609	6436	Lipid	0.2	1.68	0.0
24	C25 H42 O5	423.3105	423.31088	-0.17134267	423.31042	9935	9881	11155	8941	1716	1843	128781	4135	1201	1703	6417	3142	2106	26777	6715	10799	23710	1504	1315	2958	0	1258	2418	2631	8941	9993	126116	12682	10894	8950	5865	12871	6712	10297	2741	14808	9977	8169	32984	974	8394	5778	0	0	0	3457	2844	0	18800	7640	11540	7397	11812	0	1298	3422	3662	11564	1922	7465	14325	2712	4511	0	18344	6456	15203	34937	1116	3263	4774	2799	8577	4400	27455	10397	0	2907	5959	15045	2837	6988	27349	36917	0	0	19579	2761	13292	55081	14235	9214	7607	2441	2197	0	8238	10915	4042	1554	2586	12718	1722	9214	4263	5233	1205	0	9437	2129	Lipid	0.2	1.68	0.0
28	C25 H42 O5	423.3105	423.3109	-0.17005506	423.31042	5831	6578	7064	6744	2984	4168	111530	8664	2612	1529	12443	2408	3299	16329	4668	6094	8498	3149	3743	3361	5472	2280	4680	1880	8356	11982	75192	22365	8895	9402	3084	9113	7751	5040	3249	11888	6503	5176	9293	2527	4383	6552	1706	1684	0	4144	3333	0	6656	6345	8640	4713	5358	4495	4417	6010	6176	7290	31593	6072	11583	18365	5779	2314	12569	7619	11806	9450	8017	3239	3078	4230	4645	6439	5211	6056	0	3643	5178	16729	1843	8117	12715	11171	4147	5339	13640	2657	5819	8920	17045	12571	3617	7029	3120	1347	6842	7743	5387	3489	7610	8218	3353	12155	23420	5087	2638	1649	8265	2385	Lipid	0.2	1.68	0.0
22	C25 H42 O5	423.3105	423.3107	-0.16144113	423.31042	0	2570	1657	1445	0	0	11504	2469	0	0	0	0	0	0	0	0	10966	0	0	0	0	0	0	0	1411	0	10649	4411	4952	4780	1458	4575	2081	2102	0	2916	0	0	14937	0	0	1774	0	0	0	0	0	0	6095	2473	1472	0	2504	0	0	0	0	3226	0	0	2149	0	0	0	1498	0	4041	18844	0	0	0	0	2207	1781	14820	2004	0	0	0	0	0	0	3578	5349	0	1627	5611	1707	4158	24397	0	0	0	0	0	0	0	1624	0	0	0	2161	0	0	0	1427	0	0	1940	0	Lipid	0.2	1.68	0.0
28	C29 H42 O2	423.32574	423.3261	-0.1565347	423.32568	6696	4979	6057	4125	3289	1035	13013	10662	3158	0	1486	8505	0	5024	9147	12673	23418	0	3157	0	0	1820	5266	2381	12470	0	15684	1839	10024	23697	8391	10999	5191	3399	0	21824	2302	17071	19130	0	0	2831	0	0	0	0	0	0	6327	16968	6466	5729	2679	0	3959	4344	4812	9502	2127	1772	6426	0	0	2105	6186	1812	3408	30478	0	0	0	1698	3786	24513	11621	14518	0	6085	15342	7695	7433	1107	2455	0	10092	8173	51631	2616	2775	41470	3311	1916	6149	3181	0	0	6083	5526	5431	20568	23312	7869	9026	0	0	5516	11202	0	13413	1140	Lipid	0.06896552	1.4482758	0.0
24	C29 H42 O2	423.32574	423.32614	-0.1596831	423.32568	3034	2605	4153	3724	0	0	6960	6272	0	0	0	7851	0	2942	5856	6921	35490	0	0	0	0	0	1789	1029	3706	0	9259	0	2828	16524	8315	3712	2692	1127	0	11070	1301	10715	30206	0	0	0	0	0	0	0	0	0	3381	12684	2166	2247	0	0	1869	4415	4138	4126	958	1604	2765	0	0	950	3904	1360	1913	38534	0	0	0	0	1675	17094	18615	13839	0	4495	7790	4243	4715	0	0	0	3620	6646	23847	1488	1678	47480	0	1318	0	3406	0	0	3616	3051	2757	4645	4657	5743	5687	0	0	2533	2723	0	8854	0	Lipid	0.06896552	1.4482758	0.0
26	C29 H42 O2	423.32574	423.3261	-0.21247488	423.32565	9484	10176	8668	7601	2404	2604	15410	20617	3417	0	0	17901	0	5077	15407	22017	59372	0	0	0	0	0	7576	0	17199	0	23237	0	13287	44825	18287	17162	7820	3537	0	34158	4073	25109	50575	0	0	0	0	0	0	0	0	0	13204	39007	9757	6059	3827	0	4939	9295	9002	14269	0	3543	10867	0	0	2212	9223	1693	5520	64609	0	0	0	2605	5608	49677	33045	26807	0	16233	29790	7299	10734	0	3315	0	11425	13251	69322	3120	4346	67735	5293	3971	5075	3986	0	0	10053	7736	7911	18090	15110	15499	16716	0	0	6032	9754	0	23265	0	Lipid	0.06896552	1.4482758	0.0
26	C22 H46 O7	423.33163	423.33197	-0.12251928	423.33157	19263	16426	15234	14330	49745	127127	0	0	0	0	0	0	33114	981665	0	0	0	10278	86807	0	0	0	0	0	0	0	0	0	0	0	0	55067	0	0	0	0	0	0	0	0	0	178142	0	0	0	0	0	0	0	0	12347	12315	12240	0	4191	0	0	0	0	0	0	0	0	0	3074	12004	676819	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	71840	120242	0	0	0	0	0	0	0	11905	10101	2651	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3181818	2.090909	0.0
26	C26 H46 O4	423.3469	423.34692	-0.20534813	423.3468	0	0	0	1738	0	0	62286	0	0	0	4881	0	0	16643	0	0	0	0	0	0	0	0	0	0	0	5331	57237	5919	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4491	0	1951	0	19002	0	0	0	0	2176	0	0	0	0	0	0	0	0	0	7660	0	4590	3203	7111	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.15384616	1.7692307	0.0
28	C26 H46 O4	423.3469	423.34735	-0.1323383	423.34683	3479	3142	2457	2280	1304	2676	42678	2694	1069	1584	10673	2296	0	6998	3604	2640	4249	0	2069	2967	1942	2186	2427	3281	3109	10556	27405	8055	4478	2851	2251	2347	0	2080	1316	3108	1202	3486	2200	1364	3113	3759	3127	2272	4440	3631	2613	1967	1819	2519	3801	1526	1881	6303	2006	4293	2942	1706	2475	4624	7862	3273	2669	1060	9125	1730	3384	1781	10572	2135	2666	2503	2521	3879	2965	1759	5028	1801	1915	10994	3012	5065	5286	5420	1962	2571	1928	3581	1663	1691	3937	3074	1842	4953	2268	3312	3296	3550	2893	1471	2942	2454	2666	5781	4822	1587	2256	2715	2588	1193	Lipid	0.15384616	1.7692307	0.0
24	C27 H50 O3	423.38327	423.38342	-0.14598313	423.3832	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1091	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20474	6613	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21515	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.11111111	1.8518518	0.0
18	C18 H17 O9 N1 S1	424.06967	424.07028	0.008577249	424.06967	2750	2261	1806	4295	2639	2511	0	0	3352	18158	8245	1058	7387	1773	1837	0	0	7029	4219	5866	11425	17666	2400	1406	3215	4262	0	0	0	0	0	0	0	0	19440	0	0	0	0	12995	11350	1926	0	0	0	6095	8322	0	0	0	3500	5242	3005	0	5942	3989	1848	1864	2548	2926	0	7951	5044	6410	0	3579	3180	0	4939	4660	5293	0	0	0	0	0	0	0	2039	14779	1156	5224	2859	6056	4101	2032	2018	1783	3163	2360	7495	10206	3412	24244	27996	0	2992	3713	2550	2913	2057	0	0	1993	4771	2835	2509	0	0	7897	Organosulfur	0.5	0.9444444	0.055555556
16	C18 H17 O9 N1 S1	424.06967	424.07034	0.13036487	424.06973	3201	2877	3237	2845	5135	3257	0	0	4930	19451	9085	0	9670	1691	0	0	0	2897	3572	7230	13560	19477	1223	2039	0	3285	0	2760	1495	0	0	0	2737	0	19476	0	0	1373	0	11967	10504	2623	0	0	0	5672	8250	0	0	0	5376	4887	1518	0	2519	4149	2577	3174	2732	1935	0	12256	6031	6808	1093	6507	2130	1670	3381	9264	6930	0	0	0	0	0	0	0	2532	15446	1649	5544	2350	5794	3447	1233	0	2441	1110	0	8999	7655	0	26226	32251	0	6388	2227	1917	4532	3915	2048	0	3714	4489	0	2621	0	0	9394	Organosulfur	0.5	0.9444444	0.055555556
14	C18 H17 O11 N1	424.08743	424.08804	0.014429349	424.08743	37258	33458	34305	38332	56158	24690	8114	11010	76709	47310	52121	18812	109526	22709	17403	12429	18323	81287	64969	50987	103287	126566	34004	13228	9541	3764	9692	10518	9059	9251	9355	13161	24457	8945	88722	8621	20777	14416	17665	38968	80842	33616	0	0	0	39272	100916	385	7615	10916	33220	34610	35314	0	88447	65681	23113	18519	14724	23052	0	56719	131360	87026	26425	78137	30594	16362	34780	9498	22046	9567	7953	4038	13722	7175	0	16146	32140	80873	22213	44562	6428	12079	63504	33960	25565	32399	32484	29578	8229	19908	32174	122355	76780	0	40743	41271	49081	58904	59529	24693	15328	18260	54574	23099	48856	0	7430	113169	Phytochemical	0.6111111	0.9444444	0.055555556
16	C18 H17 O11 N1	424.08743	424.08798	-0.01858171	424.08743	29156	25611	31444	33218	49019	35458	6972	8884	63832	39068	30792	18132	122423	14574	17719	22029	16435	75317	71564	36772	77140	89747	31986	13859	5029	2585	9076	8527	6142	4485	5651	4335	17410	4352	69857	6799	17306	15369	9801	32220	59070	23244	1761	0	0	33811	94287	695	9721	6605	37285	30824	39640	0	77244	61333	27085	13965	12152	14571	15412	39322	102006	72103	22054	67059	28982	11381	19200	6209	18795	5583	6741	4217	13185	5992	331	11107	23906	69850	17486	45111	5069	10013	62506	30864	18348	23905	30213	0	10270	25087	0	98716	77296	653	30503	32709	36560	56112	64298	15569	11278	9302	45278	13728	46550	464	6256	95471	Phytochemical	0.6111111	0.9444444	0.055555556
22	C18 H17 O11 N1	424.08743	424.088	0.072606	424.08746	5046	4778	2897	5702	10435	7877	1520	0	13108	5143	2791	0	20873	6385	3088	0	2559	14676	7818	4347	9023	15617	3635	2354	0	0	1920	1360	0	1026	0	0	1647	2268	5902	0	0	2115	0	3932	11739	2633	0	0	492	8347	22648	0	1834	1769	6903	4300	9309	428	19745	10895	5064	1456	2515	2000	1680	4984	25744	21433	6507	11481	4747	0	3175	0	3338	0	0	0	0	0	641	0	3580	10429	4785	8111	0	1577	16803	12361	2116	3407	4065	2112	2085	0	1866	16798	16187	0	4600	5189	8790	9039	10321	1559	1325	2048	13041	2010	7011	0	1457	21201	Phytochemical	0.6111111	0.9444444	0.055555556
8	C18 H17 O11 N1	424.08743	424.08817	0.020007756	424.08743	11188	12019	7340	8309	13949	4611	1304	3093	20175	11461	14954	5934	28334	3127	3619	3488	4859	14466	16886	12088	20121	20583	6040	2171	793	559	1695	0	1664	1589	2359	2138	3471	2572	20947	1968	3426	3396	4453	7067	19931	6325	0	0	0	6225	25918	0	2255	3101	8010	9270	9132	0	19667	21422	7820	3659	2205	5435	0	8869	43938	23254	7944	20925	6892	7290	5409	0	6116	2212	2420	1243	3212	2238	0	2650	4914	2661	4032	5236	1172	1603	23021	4982	4944	7780	6067	7026	0	0	5557	21797	12667	0	11266	8653	15373	21396	15853	3633	3329	2588	6740	4413	12558	0	1625	33091	Phytochemical	0.6111111	0.9444444	0.055555556
10	C18 H17 O11 N1	424.08743	424.08807	0.025355864	424.08743	24728	18348	15426	16886	29839	12755	4176	5759	40284	33727	34736	12630	58479	7315	8714	9982	9702	35499	33270	28871	58940	58531	13467	10563	2135	1430	5389	3023	5636	3140	5199	8258	13381	6335	55003	5266	10528	12960	8988	24002	63565	15827	620	0	0	24029	50339	0	4838	4357	18012	23354	19345	0	48653	35965	14488	8247	5518	15109	10840	26236	83176	51290	13494	42670	17909	17438	12031	0	16065	4591	4139	1730	8518	4257	0	5800	17367	20955	10732	19733	3333	3531	39485	11932	10876	15326	17282	15225	3295	7804	16226	65822	42004	0	25090	25632	27406	41449	39020	15075	8892	7129	29425	9521	24557	0	4498	74642	Phytochemical	0.6111111	0.9444444	0.055555556
18	C18 H17 O11 N1	424.08743	424.08798	-0.002352774	424.08743	19919	17211	21849	20274	35195	22021	5641	8782	35257	24089	17758	10950	86047	12292	12368	9423	7182	55374	43650	22975	40413	51580	20555	9299	2834	2447	4776	6945	4948	1963	4335	3832	12161	5591	32659	4764	7905	12849	6200	24418	34018	14012	2543	0	545	30980	64629	842	2532	6292	22970	19813	23567	360	48382	45501	17932	6270	8887	10325	8127	32751	66381	43032	16707	46363	15365	7230	14133	3755	9295	4005	2855	2741	5906	0	405	8583	16848	40144	14903	31035	3076	7007	44758	25422	18478	16755	17273	8083	4456	11719	23132	57326	45183	0	19139	23099	27610	31058	44403	12757	7547	7637	35242	7594	34619	355	3966	66658	Phytochemical	0.6111111	0.9444444	0.055555556
12	C18 H17 O11 N1	424.08743	424.08807	0.03966873	424.08746	28976	34875	30715	32747	46835	20345	4632	15322	53834	45501	54758	17411	77808	12644	12009	13714	20427	55145	63996	45789	92432	115103	20927	16392	4420	2098	5984	14199	7041	8283	10428	6282	21233	7506	82303	8174	18271	16553	20470	32346	120579	24447	817	0	0	33742	96279	0	7861	9292	32038	29254	28917	0	76681	59417	23308	9916	14853	23408	0	51152	117923	67409	20844	59497	23496	16833	21616	5980	26730	7860	7001	4301	10307	7985	0	12674	15866	64547	16934	34645	5118	9307	56976	20774	20932	22406	20932	30133	5996	18311	24022	121003	57668	0	34690	28521	36927	48904	47155	16789	13335	14345	41920	21148	41911	0	6281	106216	Phytochemical	0.6111111	0.9444444	0.055555556
20	C18 H17 O11 N1	424.08743	424.08798	0.050501425	424.08746	12230	9848	11317	5547	22047	13649	2151	3149	22063	13396	5052	3736	57003	8087	4258	5339	2661	20619	21385	10609	19940	30376	6722	5959	3661	2123	0	2162	1455	0	0	2131	4291	0	8544	1933	4701	2976	2835	7387	12619	8925	1444	0	438	14718	40475	855	1907	0	10797	10247	10976	336	27532	30956	9016	2326	2593	3872	4777	11565	42677	30368	9384	24877	8616	4601	5003	3235	4820	0	2142	0	1633	2270	516	2466	11071	19614	7458	17939	2094	0	27579	9469	7696	8110	7717	4440	4093	6075	10053	27710	27928	517	11528	9596	16089	18541	28777	3730	3389	4371	27625	6497	16470	0	2217	41727	Phytochemical	0.6111111	0.9444444	0.055555556
22	C24 H18 O3 N1 S1 Na1	424.09778	424.09842	0.15246983	424.09784	3613	3246	4856	3135	6837	6920	0	14174	0	0	0	11097	0	0	0	4265	0	15300	11327	0	0	0	32532	33287	0	0	0	0	20469	3139	13343	8505	28734	12870	0	7643	14497	0	0	0	0	18499	0	0	0	0	0	0	12985	1802	3334	4541	8490	0	0	0	3634	22325	0	0	23007	0	0	3676	2746	2532	14142	1418	0	0	0	5461	6137	1046	0	4907	0	14676	0	0	0	0	0	0	1558	0	0	33864	19675	0	0	0	5657	0	0	0	3569	7585	0	0	0	27968	9537	0	0	17225	0	0	0	0	Organosulfur	0.125	0.75	0.041666668
12	C22 H17 O8 N1	424.1027	424.10342	0.06557416	424.10272	1744	0	0	3112	2382	1415	0	0	3584	8798	6550	0	3405	832	0	0	0	3168	3252	6800	9331	0	1551	0	0	15351	0	0	0	0	0	0	0	0	19542	0	0	0	2132	4559	10289	0	0	0	0	3215	11316	0	0	0	2046	0	2060	0	2241	2622	1216	0	0	0	0	2478	4737	3000	792	4066	1212	0	0	14023	40151	0	0	0	0	0	0	1100	1912	0	2575	2732	0	4234	2190	0	2017	1051	0	0	3324	0	0	10283	7028	0	0	2983	1927	3937	3285	0	0	0	0	0	2374	0	0	2340	Phytochemical	0.36363637	0.77272725	0.045454547
22	C22 H17 O8 N1	424.1027	424.10318	-0.09926945	424.10266	7724	4590	5155	3557	5464	2300	1084	0	5454	17689	15632	1624	2520	0	0	1416	1998	3794	4952	8626	14659	19716	2726	2105	1701	18025	2040	7845	1717	1054	0	0	2040	0	20778	1308	1845	1740	0	15251	25427	3289	0	0	0	10670	20594	0	1363	1250	6748	5893	2297	0	5594	3261	3307	3109	3411	4481	0	12069	7913	7416	1558	5148	3651	2780	25156	26706	35167	0	1051	0	1762	1517	0	1033	5133	14743	4778	13660	2621	11402	9610	5143	5060	3319	3601	6215	2894	6660	2670	25091	27224	0	5329	7297	4644	6034	6338	2904	1004	3029	11799	3462	4556	0	1997	8262	Phytochemical	0.36363637	0.77272725	0.045454547
20	C22 H17 O8 N1	424.1027	424.10324	-0.016011951	424.1027	9360	10722	8201	6533	8574	4725	1698	1583	11730	34194	27380	1815	7421	5054	2447	2720	4329	8232	9253	15810	22753	26891	2251	2936	2599	39993	0	17042	0	1991	0	0	2813	2069	36807	1903	2310	1911	1527	25479	34437	4498	0	0	0	19235	27503	0	3600	2073	11949	13246	7539	327	7595	6091	4641	2926	3068	4488	1986	14787	9126	6145	3545	7603	4711	3072	32007	39223	56573	1396	0	0	1957	0	0	0	3949	33315	4302	15037	3780	19652	10368	5087	5570	4323	4318	9658	6231	6719	5644	42022	31663	0	8977	7395	6169	8570	8245	3595	1893	3529	15779	3239	4577	0	3373	9651	Phytochemical	0.36363637	0.77272725	0.045454547
14	C22 H17 O8 N1	424.1027	424.10333	0.10251145	424.10272	3574	2682	4029	4181	2878	2169	0	2211	1865	18337	14564	0	2870	2955	0	0	0	2058	5533	9691	13135	5035	2348	0	0	28901	0	0	0	0	1050	0	1556	0	26745	0	2203	2276	2379	10721	11438	1918	0	0	0	5567	12595	0	0	0	3468	2783	2435	0	2857	3969	2865	0	0	0	0	11061	7589	3735	1329	3994	3088	0	20038	34810	41628	0	0	0	0	0	0	1018	1707	0	1224	7253	1054	7394	3609	0	4293	2338	1669	5815	0	3055	3111	12679	17116	0	1847	3233	2342	4446	3927	3132	1543	0	0	0	2159	0	0	7681	Phytochemical	0.36363637	0.77272725	0.045454547
16	C22 H17 O8 N1	424.1027	424.1033	0.015447008	424.1027	10124	6934	4572	6160	5359	2653	0	1636	6223	30328	22278	1447	7903	4132	0	2501	0	6209	8620	12095	29135	14288	1397	2776	3174	41001	3144	10820	0	0	2529	0	0	0	37322	0	3232	2557	2406	16192	23141	1562	0	0	0	10847	13476	0	0	0	7178	8398	4409	0	7105	5504	2160	3373	1211	3231	0	10384	12361	6569	3744	7942	1906	3180	45603	42055	64195	0	1561	0	0	0	0	0	4225	14025	3936	9540	2654	12887	8088	3733	6587	4811	3510	0	4658	4915	0	23488	23678	0	4315	6891	4662	5147	5601	3027	1298	0	7084	0	4675	0	2071	5965	Phytochemical	0.36363637	0.77272725	0.045454547
6	C19 H21 O10 N1	424.1238	424.1245	-0.042724565	424.1238	28054	29421	25960	24671	21606	13219	8130	20290	31625	58725	42945	15203	43893	8892	13907	21243	21860	35863	38242	36069	62405	46433	17529	24949	6397	9026	7620	12729	16508	15964	16452	14862	20031	14232	64751	14510	21034	14033	24833	26537	58479	15127	0	0	0	30551	54401	0	18476	18952	24959	29855	19768	0	34752	26980	15617	20060	16102	24766	22243	25418	106714	30601	13557	30589	18724	31386	24232	19095	30701	16638	17735	13859	9564	14272	0	11873	19282	23467	15544	15755	10287	10372	30972	16117	14461	19809	17498	34256	7991	15104	28670	38788	34619	0	28555	24360	19051	28939	31161	20967	14144	21598	31695	21310	20251	0	10505	50215	Phytochemical	0.5263158	1.1052631	0.05263158
24	C19 H21 O10 N1	424.1238	424.1243	-0.019480823	424.1238	7836	8860	6693	9530	12595	6545	1733	6626	11992	18218	3558	3620	21322	3806	5057	3208	2840	14647	11353	14281	21076	15786	4552	4030	4599	8513	1578	3889	2262	2869	3823	2098	1322	1099	16111	3801	5745	4793	1885	11030	11409	2396	0	0	0	15189	24837	0	2706	3115	9303	10629	7785	0	19593	10263	3985	4750	2647	3425	1799	13882	24592	15395	3848	14177	3819	2279	12465	8890	12038	3282	2425	2093	3827	2742	0	2815	4676	7752	4674	12179	2272	7218	13178	5791	5082	4164	4151	2969	4311	4705	4045	13072	20900	0	8099	8253	8529	5532	6045	3628	2366	2938	14486	3989	11277	0	1963	20843	Phytochemical	0.5263158	1.1052631	0.05263158
26	C19 H21 O10 N1	424.1238	424.1243	-0.053205222	424.1238	6465	5916	5530	6638	5708	6985	0	0	7833	13488	3303	0	15986	2806	0	0	0	9079	5659	11976	20106	10682	0	0	0	4923	0	0	0	0	0	0	2574	0	10759	0	2026	2600	0	10256	10810	0	0	0	0	9886	18604	0	0	0	7855	3836	5033	0	11208	7403	2979	0	2613	0	0	9497	13034	6896	2538	7524	3265	0	7729	11609	12283	2554	0	0	0	0	0	0	3056	0	4823	5578	0	4378	8404	0	2653	3680	0	1505	0	2786	0	5739	13654	0	5403	5476	6424	5494	0	0	0	0	9344	2942	0	0	0	18439	Phytochemical	0.5263158	1.1052631	0.05263158
12	C18 H21 O9 N3	424.13507	424.13562	-0.09209119	424.135	21768	25506	26713	23106	14390	15651	25606	32495	17465	15692	11875	25001	21975	7397	21593	22038	35141	22722	30699	19754	24100	53384	30217	30857	14463	2890	18785	15769	25347	15784	23318	26202	37522	21419	27129	21859	30488	30573	35127	28687	32020	15868	354	0	0	23440	29200	0	25490	24406	24384	28892	17707	0	26938	9555	11041	27460	42709	23864	30426	31479	54250	18895	11630	20638	19121	30484	0	10450	11134	24373	21020	17150	22462	21872	0	26675	22074	17892	19060	16888	16186	9929	0	14200	26100	19230	19189	53422	16546	24570	57987	18646	12042	0	27166	23281	8467	12672	10893	30368	21782	23375	0	28989	13159	0	17553	29429	Peptide	0.5	1.1666666	0.16666667
8	C18 H21 O9 N3	424.13507	424.1357	-0.06332821	424.13504	48235	55453	38251	48936	19614	17410	23976	45282	28388	39960	31960	40382	38736	7739	32069	52837	48326	36888	43915	42288	47604	74690	43587	54712	16238	2485	20612	13343	34298	38045	37665	42006	50730	33492	50757	36958	49787	35622	64051	51592	61134	29314	0	0	0	46324	69677	0	44778	42954	47163	45903	26364	0	44201	0	24987	41086	47517	42147	51910	39490	51701	40500	23551	36921	33878	68836	7549	11322	16973	43378	40457	34823	33143	39281	0	33939	37444	20066	28680	26367	22343	17157	28722	16013	39248	35414	35223	71118	26931	49114	91689	45776	35900	0	43273	46503	21741	26449	21790	56223	34089	56611	38359	53333	19695	0	25447	53423	Peptide	0.5	1.1666666	0.16666667
6	C18 H21 O9 N3	424.13507	424.13574	-0.062233075	424.13504	28323	29065	26863	34731	15672	12630	14709	30932	23665	29431	25420	24455	30144	6121	21815	32099	37634	28925	37285	23735	33766	48072	29525	37887	10740	1822	13001	6546	25905	25268	29444	30306	32623	27069	32865	21673	33309	24450	46616	24606	47299	19771	0	0	0	30811	52177	0	32519	28293	34456	36050	18849	0	30943	17978	15176	31184	24343	34925	35901	22545	40732	27228	15175	23913	24444	46446	6977	6112	12651	26932	23461	23827	17577	21056	0	19758	23300	10108	19676	16537	13636	10038	23777	16394	20881	25727	25178	50162	12657	25362	54580	24376	23330	0	31397	29277	10696	18095	20988	38976	22542	31593	27515	35307	15673	0	16738	46921	Peptide	0.5	1.1666666	0.16666667
14	C18 H21 O9 N3	424.13507	424.13562	-0.008696033	424.13504	9562	11624	10933	13068	6246	5628	7334	15370	8213	14240	0	14030	11699	0	17282	14809	18486	15940	12688	4897	12247	19884	15696	17808	9070	0	8770	0	14505	12890	13328	8916	18588	9965	15507	15549	17153	13783	15084	11191	13932	8559	0	0	0	13136	14542	0	13703	12477	16501	12152	8054	0	10420	0	6060	17163	21305	10458	0	11579	12352	6868	6498	10430	7605	15153	0	4273	4929	10895	10513	9523	11835	8506	0	11985	10694	0	12849	6125	6903	4648	8805	0	15521	11172	10202	24963	9284	12748	31623	9117	11419	0	12567	14386	4349	5766	4764	15573	12718	22744	0	19394	6671	0	11637	12771	Peptide	0.5	1.1666666	0.16666667
10	C18 H21 O9 N3	424.13507	424.13562	-0.06064197	424.13504	39566	32923	40733	36121	21407	24507	22511	49689	30416	39046	25091	34559	35197	8442	34821	43592	39668	35040	43824	27980	44219	64928	39933	49476	22856	3149	21571	10718	34630	29433	38068	38750	48848	37700	42234	34596	46698	32460	48071	42757	55911	25594	0	0	0	42735	52712	0	42104	35934	46176	37860	26352	0	38324	0	19663	44084	58314	40896	56992	36959	0	0	23115	34920	28469	50956	8564	10110	10754	40070	32956	30141	33089	31592	0	30580	37637	22096	30855	27553	21352	12830	26197	20867	36298	30640	29716	62932	26132	41158	75817	33627	29911	0	45441	47346	14202	16879	17115	48923	32260	44403	35687	45487	0	0	24483	43304	Peptide	0.5	1.1666666	0.16666667
18	C23 H21 O7 N1	424.13907	424.1396	-0.014292195	424.13907	15616	15054	12659	15251	7130	5151	2468	1757	4819	42967	52182	3158	8557	8710	1817	6720	4774	10220	8639	49075	54047	30752	5435	6548	3934	80032	2953	40824	0	1599	3792	3860	6214	5977	41089	0	6818	3506	5510	34858	45946	6606	0	0	0	17685	29272	0	2940	4142	12492	15831	7374	0	6944	4324	4063	3228	4741	7333	5647	18500	11885	6512	4267	12780	10229	5197	74414	88129	113108	2203	1675	2949	3223	0	0	2187	6727	25160	4011	12733	8860	23768	6985	6714	8914	4486	8261	11617	10607	18739	16027	26073	35285	0	11921	12130	8891	6067	7943	3488	3607	5690	12279	6301	8272	0	5311	8166	Phytochemical	0.3043478	0.9130435	0.04347826
22	C23 H21 O7 N1	424.13907	424.13956	-0.066707104	424.13904	6618	8003	10900	10903	8873	6493	1927	2331	4902	29229	42885	0	2989	0	2362	1843	1986	6277	6727	19584	31513	18000	4994	4612	5028	45584	2297	33080	0	2421	2570	0	3840	1542	39793	2896	3758	1692	3142	29282	38873	2893	0	0	0	16990	37041	0	0	1369	8730	8553	3693	0	5997	5809	3579	0	2599	6163	4703	21107	8618	4533	4433	6105	5893	2653	48472	53445	77187	3406	0	1568	1721	2100	0	2175	3028	20526	4028	14484	2548	22841	5488	4468	4489	4515	5064	7981	9332	6371	4137	24556	25204	0	9588	9827	8319	3891	4878	5513	2254	5108	12173	4248	5980	0	3150	5594	Phytochemical	0.3043478	0.9130435	0.04347826
24	C23 H21 O7 N1	424.13907	424.13953	-0.037342317	424.13907	3955	3804	3735	5078	2192	2335	0	0	3017	14304	16768	1400	0	2619	1246	1894	0	1941	2248	8292	13409	8366	0	4108	0	20549	1412	12042	0	0	0	0	1653	892	13842	0	3012	1339	1567	10871	17670	2414	0	0	0	11929	15230	0	987	0	3907	3200	1383	0	2555	0	1931	1034	1573	2267	1216	8006	3628	2029	0	2353	2548	1946	26471	17545	33589	1049	0	1203	0	0	0	0	2115	11093	1519	9290	1319	8397	2402	0	2006	3084	0	2346	1524	3011	4001	13671	10368	0	4892	4301	2168	0	2121	1592	1152	1479	5777	2559	0	0	916	2078	Phytochemical	0.3043478	0.9130435	0.04347826
20	C23 H21 O7 N1	424.13907	424.1396	-0.06472943	424.13904	12282	10459	13525	15218	10181	7033	6208	2734	10309	44647	47335	1639	8807	8176	2849	5845	4863	8331	12443	43776	47513	23213	4184	8638	2981	77140	2192	45209	2224	3041	1927	0	6029	2207	48888	0	5960	1454	5412	39223	52238	4877	0	0	0	34011	34565	0	4187	2236	11961	13322	8929	0	10172	5263	5621	3739	2780	7381	7279	21043	12866	4898	5930	7893	9774	5001	74766	89262	120421	4051	1374	1763	3823	2538	0	2859	7266	33015	6168	17396	9278	29907	7325	5114	9663	6364	9035	6669	12429	12362	8950	36618	30511	0	12256	16221	6906	9103	6593	5562	2373	8065	20035	7540	6037	0	5842	11660	Phytochemical	0.3043478	0.9130435	0.04347826
10	C23 H21 O7 N1	424.13907	424.13968	-0.116394185	424.13904	4005	4166	2833	3333	1966	1075	0	1297	3081	14528	10390	0	2215	2028	0	1526	1922	2037	3054	12643	14787	4875	0	3359	0	26069	0	13238	1323	1826	0	1417	1409	993	15108	0	2502	1517	2244	9129	10523	1251	0	0	0	7645	8714	0	0	1773	2852	3154	1370	0	2417	1662	1301	2441	0	0	0	5418	2587	2005	1129	2565	1177	2168	29372	30152	35205	1568	0	0	0	1020	0	0	1541	7753	0	2678	751	7535	1466	1647	1909	877	1541	3023	0	0	1748	6872	10560	0	1921	3060	2502	1860	1633	1226	0	0	0	1378	1060	0	1318	1569	Phytochemical	0.3043478	0.9130435	0.04347826
22	C20 H25 O7 N1 S1	424.14246	424.14294	0.08137492	424.1425	5798	5058	7097	4978	6081	4905	1233	2061	5064	18185	10784	1615	5631	0	2122	1758	1905	5424	3399	21410	21193	16090	2785	3316	3010	14751	1369	8961	4071	0	1603	0	1822	2353	24846	2490	4183	1600	3317	15701	12472	2398	0	0	0	12345	9797	0	4421	2032	5783	5664	4724	0	0	3584	1587	3578	5808	4413	2644	10921	3640	0	1368	5093	3964	0	16302	25471	21226	2629	2111	1102	1328	2221	0	2310	2882	9280	3292	7586	5114	12805	3945	3266	2817	2981	3846	3661	15219	12385	6788	12609	22114	0	5338	6311	3200	2149	2139	2653	1931	5802	8177	4634	2867	0	3457	7664	Organosulfur	0.35	1.25	0.05
10	C16 H25 O12 N1	424.14496	424.14563	-0.10332059	424.1449	80091	80460	76788	94524	51960	43101	52986	98889	63618	152778	143934	56976	77235	19365	54201	86961	70728	73276	102063	119250	133809	154236	64236	96441	48450	31965	49866	46173	65733	68757	63939	76986	100551	75306	196281	66594	87060	55071	67953	152931	154302	44400	0	0	0	119802	126801	0	70833	70014	87324	89598	43683	0	80077	46360	30087	84507	95304	91626	96348	106407	81294	54357	29937	52980	39651	81771	41661	59994	78384	72129	75299	68793	63273	67011	0	43791	68183	55140	55059	80277	66888	63699	39015	35940	55682	46865	57199	109313	91203	114324	122028	87015	114285	0	90414	90015	37698	85990	41505	81057	49005	97245	102570	78855	69390	0	47238	91272	Unclassified	0.75	1.5625	0.0625
8	C16 H25 O12 N1	424.14496	424.1459	0.19977795	424.14505	69860	78068	65644	83912	49955	30067	35300	74823	46348	131000	71956	50461	73593	13420	56160	81772	61648	52356	73154	126860	144164	131432	53932	82032	26872	28776	43273	59753	68811	53563	70559	70244	87036	67440	178428	58424	69932	45884	89747	126556	160480	46308	0	0	0	94784	170800	0	84576	70966	65728	92860	35440	0	61212	32603	31311	59680	76438	87224	69992	99376	72725	50215	20744	54780	47460	84548	34932	63908	82680	77386	66999	52140	52325	70404	0	36432	57437	45932	38936	78348	44704	52208	33384	24696	46124	51887	47464	95979	60456	67784	108648	81944	109256	0	76568	70760	23424	42251	10105	62478	37168	78552	64264	68508	27036	0	40000	78492	Unclassified	0.75	1.5625	0.0625
26	C20 H25 O9 N1	424.16022	424.16064	-0.10861424	424.16016	11295	8992	9605	10773	9291	10462	2405	7800	11679	19502	5435	4708	20555	4788	6776	6865	0	17318	13911	18104	22534	13263	9176	7437	0	16137	0	5130	0	0	3274	4732	4650	6582	22449	0	8717	3856	3382	11990	14603	0	0	0	0	8210	12811	0	6660	7220	9353	9044	8433	0	10602	7506	5771	8449	4149	4265	7105	9174	18790	8863	3751	11014	0	2369	22279	36737	41966	7668	8625	8614	0	7265	0	4701	7390	0	5158	9064	2996	10863	10081	7819	4544	4230	6736	3836	4385	5807	9518	4832	11578	0	10735	10988	5273	8467	9563	6700	4242	0	10042	4048	7126	0	3530	22211	Phytochemical	0.45	1.25	0.05
8	C20 H25 O9 N1	424.16022	424.16086	-0.05343415	424.1602	225307	425696	313994	441587	101297	119465	225019	416459	136813	787263	220136	256228	413032	55132	265959	433970	320427	153503	194112	703872	799515	620744	166808	464671	97536	140136	214182	138657	178720	323921	346485	392351	200525	326829	1097606	329099	388149	249973	359507	639483	603015	196204	2694	0	0	485517	586434	0	391864	371868	369803	438920	186048	836	386870	104569	143922	337134	352829	354586	196640	412828	189841	150217	66758	296112	215911	390218	192756	202510	272418	411713	343607	340719	257193	336275	544	237579	316315	149424	243045	276564	276776	298440	116210	71018	131422	97886	225304	413445	129610	222490	495483	222235	562660	954	435332	431481	92244	111393	106184	208951	242240	559163	145052	322040	105630	0	232412	377054	Phytochemical	0.45	1.25	0.05
22	C20 H25 O9 N1	424.16022	424.16074	-0.08189937	424.1602	46956	47417	45004	50991	0	48356	20360	48171	59714	111441	40699	32178	73672	35231	42021	42201	32053	77795	60118	94018	110017	64343	51676	52750	34422	92938	16493	33368	46759	35294	34819	37236	38999	41539	102313	39800	47568	27390	22774	72601	55881	33269	2461	0	1378	78406	84773	0	38280	40995	50305	47097	40056	1408	80227	57610	29725	0	29173	26297	51006	60446	70512	53741	24802	65517	37040	21970	90540	122316	114866	45320	33120	36565	24665	0	996	33279	42015	31841	43310	46283	22496	44952	69547	41500	34712	30690	32137	26909	34933	38692	51024	45219	62009	0	43598	60519	52705	46428	62393	40792	27351	44194	55161	0	51014	0	30146	90140	Phytochemical	0.45	1.25	0.05
4	C20 H25 O9 N1	424.16022	424.16092	-0.07619892	424.1602	13081	15117	11175	12289	8417	32616	5144	12520	11930	21178	14506	12672	21682	5920	9207	26722	12402	13415	29910	16621	21800	51450	11900	12742	5368	6271	6419	6461	9121	9790	9750	9759	13343	7970	31313	9715	11233	6882	15194	14950	19725	16010	0	0	276	14680	22937	0	14355	12972	12140	11110	7343	0	16617	13248	5950	11596	9390	12151	12602	10499	39388	12172	5618	11835	8985	13309	10747	9772	14834	16956	7568	10495	4582	9466	0	14584	20376	9550	8229	11057	7798	7417	13726	7455	8484	6225	8652	27098	9221	12400	29064	17072	20072	0	11086	15248	9773	15091	13463	12250	6116	14976	11009	10914	9440	0	5451	36020	Phytochemical	0.45	1.25	0.05
0	C20 H25 O9 N1	424.16022	424.16116	-0.15467983	424.16016	0	0	0	0	0	26664	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1154	0	0	0	0	0	0	0	1235	0	0	0	1209	0	1294	0	0	0	0	0	0	7348	0	0	0	0	0	0	0	0	0	0	0	0	1050	838	0	0	0	728	0	0	0	0	0	0	0	1197	377	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	464	526	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.45	1.25	0.05
2	C20 H25 O9 N1	424.16022	424.16104	-0.021348609	424.1602	5995	6379	5113	4030	4821	36575	2769	4969	5885	5431	5438	4978	10512	2555	3955	1975	5214	4538	5481	5073	11969	6899	5983	3910	1124	2472	0	3408	5029	3724	5488	4144	6199	4572	9401	4311	5304	4023	7298	4399	10293	5969	0	0	0	3321	5820	0	4760	3079	5198	4701	4491	0	6541	3752	3557	5640	3313	5059	1912	4121	7180	6637	3321	8095	4893	9262	3727	3881	6135	4497	5877	4142	367	5104	0	3362	5015	2793	4817	3488	2868	2304	4767	2664	5392	3370	4330	8692	2103	5350	7974	7380	1803	0	5596	5960	4054	5295	5768	3660	4311	3187	3338	4788	4638	0	2824	8265	Phytochemical	0.45	1.25	0.05
6	C20 H25 O9 N1	424.16022	424.16098	-0.06759776	424.1602	87724	199912	165708	168788	106788	61778	47140	198264	140112	191190	102902	122036	112582	32998	68134	184832	143592	81354	190424	260548	392288	322480	143216	210076	66396	48290	83088	61664	142292	74916	151524	78406	193168	141460	446040	74878	174604	124680	91466	101632	292196	52110	0	0	0	96328	145004	0	98726	159364	105410	94892	47640	766	190600	59566	61376	87672	132924	177588	202364	85352	201744	72862	29230	84278	113240	175564	70000	87164	112136	153644	136020	70236	45832	138440	0	54294	142897	64366	54586	65390	94648	49692	72592	40766	73778	103940	59422	208848	83962	95434	251808	213876	121862	0	194720	192788	44996	66823	67992	92358	99932	229396	82796	168888	49814	0	89332	214360	Phytochemical	0.45	1.25	0.05
28	C20 H25 O9 N1	424.16022	424.16068	-0.1284133	424.16016	8042	7863	7610	6778	6278	5197	3537	6965	5108	22047	5142	4080	12065	3028	4033	8002	5335	9222	7266	20115	20102	9427	6564	10485	3926	16456	4381	6160	6246	6705	5794	5576	6652	10046	20366	7348	7629	4145	6503	12017	11201	5968	0	0	0	9871	11057	0	8151	5124	9662	7299	5105	0	9937	4051	3223	7816	4200	3012	8772	6573	9475	7204	2761	7041	5331	5043	16653	24628	23804	6869	6505	5588	5918	7711	0	3612	6387	2895	5330	6188	4398	8055	4381	3816	4413	3654	3963	4883	7819	7470	9816	4738	8420	0	7736	10275	4210	4876	5620	8521	5332	5661	7085	5492	3413	0	4135	12936	Phytochemical	0.45	1.25	0.05
2	C19 H25 O8 N3	424.17145	424.17224	-0.07443338	424.17142	16269	11817	10684	12764	7460	0	11210	16929	8280	6839	8175	13885	13982	3786	12591	3348	17581	11254	12088	6513	13047	16940	14495	11858	5119	1247	1666	3442	14435	10181	17003	14278	22846	13224	13254	12585	17292	10804	21084	9368	17455	10049	0	0	0	7989	9077	0	13899	7587	11575	12508	9102	0	12728	5723	5200	18640	8581	12167	4786	7596	13229	11095	5826	12540	9440	27400	2498	4241	4593	13555	14370	10050	886	11885	0	9954	14427	9521	10793	6648	6826	3782	6436	5633	15635	13020	10847	32836	9840	17776	26888	9334	2043	0	13413	12405	5258	6447	6412	11932	11469	10952	6508	18990	5523	0	10316	13572	Peptide	0.42105263	1.3157895	0.15789473
16	C19 H25 O8 N3	424.17145	424.17188	-0.16246475	424.1714	13289	8621	12314	8291	5599	6931	9076	12619	4968	4899	5710	7355	3495	1735	13050	13424	10174	10658	7512	10461	8009	10885	12541	17810	15463	0	10136	49952	15202	11635	12618	13406	16874	14531	8673	10721	13918	10051	8913	9730	4520	4580	0	0	0	8055	4700	0	13756	8882	11114	11352	8593	0	0	4046	5961	14623	18126	5259	0	4576	3198	0	5075	7853	8335	7693	0	4905	0	14353	12767	12416	8953	7443	0	8037	10347	13835	8507	8422	8935	4307	4477	4644	11126	8650	5299	0	19630	24214	0	6897	8790	0	10776	13641	0	4108	2111	13851	8608	11896	0	18876	0	0	11207	10607	Peptide	0.42105263	1.3157895	0.15789473
4	C19 H25 O8 N3	424.17145	424.17218	-0.099437594	424.1714	21728	24878	22087	21775	8823	11452	11429	22944	12185	13903	14074	12883	16150	4737	16500	20032	24551	16289	17275	16177	19463	30881	18879	22921	10586	2657	12336	20254	15108	15226	20031	16951	22481	14871	20632	17929	22352	12918	37262	20335	21151	13736	710	0	0	18573	26304	0	20467	19753	20750	18846	9915	0	17116	8571	8019	21192	17098	19163	22546	12168	17891	13491	9494	13783	11019	27453	5473	5541	7156	14365	15703	17552	8748	16007	0	13506	17348	68451	14578	12602	10671	8089	12003	9715	17235	11915	16104	32553	206828	69433	36762	21763	19379	0	20459	22972	10633	10048	8416	22107	12033	27857	13719	20153	9189	0	11410	15494	Peptide	0.42105263	1.3157895	0.15789473
8	C19 H25 O8 N3	424.17145	424.17206	-0.11304953	424.1714	89006	88977	74124	97307	25996	30994	50181	88053	33094	82075	58461	56926	34416	12572	70435	86307	66413	46151	61783	74613	74985	121264	66975	99379	53279	7769	44440	138043	79449	68774	75941	89049	93597	71667	93702	71943	101947	63361	85761	85507	67312	36967	0	0	0	74907	81104	0	90768	80489	85877	89200	34648	0	48326	19366	31511	87023	82049	64629	88922	57322	40705	39840	22890	41507	39795	85585	16359	28367	23781	82580	72368	71269	45252	71853	0	51744	58581	138564	46361	41870	60415	43016	24017	26736	53977	42370	46289	102591	1223469	434096	147743	100377	89900	0	98089	87664	20259	16767	19068	82757	53250	110618	48426	82001	22523	0	55572	48043	Peptide	0.42105263	1.3157895	0.15789473
6	C19 H25 O8 N3	424.17145	424.17212	-0.09730689	424.1714	58871	65131	61688	66262	20451	24138	34639	65410	26667	57050	42228	38888	27916	10869	44973	71693	57250	39566	48450	51325	54420	81402	47643	76846	32124	5926	30947	70420	58898	55562	58334	63936	70147	52712	66362	58319	63118	42097	68544	50649	57703	31599	0	0	0	54671	68116	0	72254	56745	64348	61585	25285	0	39796	13813	19214	72954	52200	46895	73549	36139	37859	31858	17854	32166	37113	69348	11447	19027	21869	49905	51416	51503	29349	49463	0	35532	37227	121851	36512	29181	32717	23873	20964	26912	42924	32893	35689	88632	773547	298796	106757	66529	59140	0	64816	58422	15902	18964	18183	64850	32509	72925	40066	61534	18313	0	39494	43681	Peptide	0.42105263	1.3157895	0.15789473
14	C19 H25 O8 N3	424.17145	424.17197	-0.16283141	424.1714	24588	22634	21168	21025	10433	13475	32670	37098	12758	17454	8136	17602	10431	6989	30209	36350	29936	15037	19417	20496	14946	38045	25972	36328	34502	3069	19330	20429	29847	29009	24928	30655	35701	25488	16298	27561	34962	24960	26423	21992	18518	16091	0	0	0	22683	16808	0	29636	26958	24701	24489	10010	0	31772	5788	10085	43950	48227	16571	56117	21861	8504	16963	9415	12656	15469	20891	0	10071	5485	27357	22607	22148	19698	19028	0	24984	22716	16793	17012	15473	20177	9552	5073	11889	19932	19955	16610	42414	109611	68420	70306	14435	16837	0	24360	29686	8129	4790	6539	34147	19332	31417	0	36967	9935	0	24149	10193	Peptide	0.42105263	1.3157895	0.15789473
10	C19 H25 O8 N3	424.17145	424.17203	-0.14856134	424.1714	87622	83807	80092	79030	24595	34553	67613	110868	35763	72476	45028	62389	29048	15446	71233	99501	78220	47701	53427	79102	65152	124849	74620	109175	67803	11365	63798	99508	97587	84368	81758	109062	113985	88800	79610	93266	107987	66818	91881	77704	59226	43789	0	0	0	84247	70770	0	107403	92102	92308	84574	36892	0	46839	13974	26091	124624	98739	74071	105421	46905	34087	36403	27673	46807	43686	96217	14058	28897	23134	95319	81781	80117	62393	80438	0	63900	69771	85663	60120	53375	68323	37905	22404	29599	69620	49192	44506	115684	692058	314034	172594	69713	73013	0	94737	85040	19848	15608	16889	90149	57567	113247	52298	91792	22279	0	66112	42274	Peptide	0.42105263	1.3157895	0.15789473
16	C24 H25 O6 N1	424.17548	424.17593	-0.17316647	424.17538	6061	8118	7885	8288	4065	2955	1988	5083	3452	21110	23164	2613	4074	3634	3965	6190	6519	1773	5020	25145	28195	8647	3353	9826	4027	48379	2336	18867	4445	4823	2032	3514	6021	3554	19432	2861	3991	3307	4962	14982	28908	4594	0	0	0	10033	12405	0	4199	3210	4889	6120	2621	0	2417	2300	2544	4335	1837	5095	0	7572	4083	3898	1546	1843	5447	5950	45690	49022	60123	2836	2414	2135	0	4423	0	1255	5774	6529	3443	4068	3683	13360	3876	2419	6157	3739	2317	0	6227	9052	0	9821	11316	0	4500	7628	4606	2520	2567	5306	1385	4043	3634	0	2265	0	3212	1701	Phytochemical	0.25	1.0416666	0.041666668
24	C24 H25 O6 N1	424.17548	424.1759	-0.099892184	424.1754	8269	6016	5938	7265	4818	4364	0	2297	3923	17672	25559	2097	2345	4822	1702	4121	2131	3890	6250	12279	19471	7185	2527	4011	2495	44037	1416	21266	1817	2962	2090	2312	3021	2487	13806	3032	2097	1405	2492	19449	29930	3778	0	0	0	13827	14990	0	2853	0	6947	7795	2998	0	4845	2341	3436	3296	2238	3369	4890	12805	4357	1719	1997	5268	7021	4083	46720	35426	45956	3294	4023	2149	2356	1499	0	2570	2923	6888	2250	9807	1567	13687	6906	0	4750	5030	3812	4803	5173	7310	6357	10061	9088	0	5893	4344	3149	2911	5917	1271	2077	3879	7869	4057	4195	0	3442	2158	Phytochemical	0.25	1.0416666	0.041666668
20	C24 H25 O6 N1	424.17548	424.17593	-0.1162244	424.1754	14986	17617	12905	12547	9079	5140	3473	14018	8179	33184	42529	4698	6046	9392	5694	11630	12348	7837	10671	38688	49815	21380	6062	10936	6895	84386	4148	41759	5369	7927	5292	5924	6671	9962	33770	5882	11001	4751	6881	34810	53655	8091	596	0	0	22302	23746	0	6999	2653	14498	16177	5922	0	5252	6209	5823	9048	5896	9528	10624	21779	5952	4207	3668	10435	9680	8991	77248	81075	120705	4671	5379	4274	6568	6203	0	4396	10368	17973	6640	13267	8175	29423	9130	4376	11167	8971	7349	19919	17306	13813	17539	22055	13205	0	10221	16250	6359	4790	4739	7298	4905	10011	15798	10155	4285	0	7794	10853	Phytochemical	0.25	1.0416666	0.041666668
18	C24 H25 O6 N1	424.17548	424.17596	-0.118319735	424.1754	449209	457743	406512	379433	280985	289561	220103	440538	352039	984901	409416	217946	505272	177684	359246	326776	179110	460330	487411	882762	755595	444757	369655	460749	320472	550973	209504	362722	404832	346130	377119	387076	431428	355936	1086800	348079	420640	280764	206725	573599	331856	226110	9644	0	0	471326	310738	996	414140	372213	432900	393582	266917	1346	539058	265063	178773	376976	371505	180874	347058	377869	489647	380459	158529	366124	278794	220396	442321	904814	640611	390297	331831	385425	208828	356262	648	282467	333240	184801	305898	321621	263561	306326	285015	231010	281954	201685	240413	215782	349612	459190	476872	237276	389688	2968	418566	389707	277454	217454	206362	377218	224410	427895	241647	334385	221752	1092	257258	479164	Phytochemical	0.25	1.0416666	0.041666668
22	C24 H25 O6 N1	424.17548	424.17593	-0.106234066	424.1754	14910	11504	11791	11251	11237	6651	4100	3312	6583	33087	51479	3823	3413	5713	5062	9356	7313	7802	7769	32435	47628	15791	4455	13144	6275	77785	3713	47602	5696	6465	4953	8519	6876	7693	27215	8798	7395	3722	5267	29340	45687	7266	0	0	0	21909	31242	0	5719	4552	14283	10699	6750	0	6048	5346	6313	11403	6048	12093	6891	22976	4849	3932	3269	10663	12644	8721	77714	70030	100201	7947	4717	3308	3143	5214	0	5127	10438	22511	6577	15020	5206	28892	7651	6619	11758	10003	8048	14347	10016	10054	17604	19639	19780	0	14801	13731	6283	6138	7863	9945	5162	10169	11053	8678	4207	0	7182	3086	Phytochemical	0.25	1.0416666	0.041666668
2	C18 H25 O7 N5	424.18268	424.18332	-0.21489874	424.1826	3754	4301	4489	3938	0	0	3972	4662	5121	1213	1502	3686	0	1015	4468	1381	9255	4181	3043	1578	2069	4461	3319	4117	2257	0	0	5640	4674	2624	4819	3061	5859	4684	3509	3499	4618	4456	15012	1582	2349	0	0	0	0	1895	1245	0	3669	2469	3661	7725	2984	0	3468	1909	1854	5677	1559	1832	0	651	0	3304	0	4116	4002	11400	0	627	3190	4735	4240	3033	0	2649	0	3406	3699	47032	3693	1479	1650	2759	1867	2230	4509	4938	3081	15547	17593	10579	10704	4574	0	0	3361	3726	2618	1802	2112	3718	3598	1627	1204	7609	0	0	4396	6057	Peptide	0.3888889	1.3888888	0.2777778
22	C21 H29 O8 N1	424.1966	424.197	-0.097039856	424.19656	0	142042	151400	160114	136297	128630	65474	178156	157564	305211	139150	92537	216089	85389	132925	149515	90509	231141	184001	338626	382785	159413	144723	185884	117167	311583	57475	117459	170675	134436	135411	142434	151931	158103	326821	158018	163422	100203	93675	219880	152348	105050	5030	0	1018	195094	168244	0	145656	145175	157943	161201	128015	1314	192621	145772	74291	137590	119931	82114	165521	166804	192481	147980	63881	169783	110420	85726	266903	450575	347123	167296	139280	146644	88718	123707	695	116463	129203	81540	125237	100098	95463	118423	163765	100955	112991	98711	105653	102370	139994	169335	174743	95783	180064	0	157211	192315	116403	124962	123358	159531	92620	164170	113489	143077	115037	0	98729	231348	Lipid	0.3809524	1.3809524	0.04761905
6	C21 H29 O8 N1	424.1966	424.19727	-0.12545557	424.19653	49766	49889	90578	89548	19709	24245	25209	118140	21728	79805	27019	24488	33250	13699	70712	55849	26850	28836	38199	78339	168602	120626	35926	119680	29260	23339	21425	31997	105948	41302	89978	49456	116204	92266	191090	48170	109740	30070	35476	50780	85726	21586	0	0	0	42514	42583	0	61145	92844	86982	43231	21870	0	32225	17378	12667	55444	27750	22629	56648	32615	30405	24528	10647	24123	28961	41673	25354	48930	43105	42468	42733	94356	24067	40649	0	56732	29742	21204	26782	42116	47902	25312	18200	15498	25700	18999	25890	90904	111008	62398	127504	37220	55623	0	48141	87620	10947	17099	20975	48751	26049	65657	24016	103540	13044	0	48418	34863	Lipid	0.3809524	1.3809524	0.04761905
24	C21 H29 O8 N1	424.1966	424.19702	-0.13501067	424.19653	47475	44951	41594	46967	55284	39000	17499	40681	45107	89165	40791	24167	89557	23932	32268	41817	26713	69719	64378	85425	95423	40705	43477	51515	25753	91687	15216	32314	40443	32401	32217	36373	35202	47599	87088	39972	0	26311	28986	58724	46560	25724	1899	0	0	58777	53993	0	38426	39272	45014	42976	38358	0	53147	49993	24586	0	28456	22057	0	37020	64894	46169	19272	58346	29811	20713	88403	133520	121875	48529	41349	35513	26501	34679	0	26839	47729	19819	34961	28424	23334	35420	56682	25734	31024	29538	28906	30007	33655	36626	46084	27035	47313	0	43770	60222	31907	37460	49705	34416	22031	45997	32702	36739	31093	0	21540	80175	Lipid	0.3809524	1.3809524	0.04761905
12	C21 H29 O8 N1	424.1966	424.19717	-0.09587347	424.19656	139423	144930	136296	143684	84782	76852	123103	247593	92747	194496	123985	117671	110711	50050	140050	159275	175154	120914	150792	307902	277608	195699	156868	191530	130257	203996	83884	123961	196896	151949	159191	145040	191550	140562	278793	161878	154241	129888	170074	196021	175117	85851	2998	405	668	218512	166659	386	164966	181310	143183	135210	87627	638	134361	81318	59365	166473	166333	155526	157989	135501	115595	86810	47373	101868	87727	185245	209926	247350	250546	151392	146119	182923	129779	133057	217	133329	130600	107908	128847	122965	128919	128294	102962	69713	129505	61536	86966	210997	135900	163195	220224	116867	146201	1044	150592	188517	73121	70418	84366	180124	110947	179976	118415	153939	80855	0	116434	116697	Lipid	0.3809524	1.3809524	0.04761905
4	C21 H29 O8 N1	424.1966	424.19736	-0.11824229	424.19653	15348	19584	17293	15193	7365	12134	9681	22380	7966	22020	10735	12279	13206	6161	31752	18050	14166	13644	13703	23887	23477	27258	13430	40492	12975	8990	10227	7406	16482	15794	16665	19087	18830	14948	28701	17260	19023	23626	20413	19168	17118	8893	0	0	0	17917	22661	0	21483	20343	18067	15017	8823	244	12455	7052	5760	32660	13137	11425	19908	12581	9616	10364	4065	11757	9143	16723	10376	14309	12204	16778	14435	20751	9328	14876	0	12983	26538	9192	11975	10520	12310	9809	7105	7107	13007	8526	10056	16804	49302	45030	58236	13424	23015	0	16955	19630	6919	9288	8532	18908	11864	27855	9578	15298	6275	0	11599	13427	Lipid	0.3809524	1.3809524	0.04761905
28	C21 H29 O8 N1	424.1966	424.19705	-0.16391724	424.19653	8950	6842	8216	5495	6253	6058	3168	6801	5525	16037	5246	3295	14564	3324	6669	8989	5135	8960	9668	18616	18619	7283	7521	10756	4659	21066	3666	7287	8510	7655	6599	6476	8121	8386	14582	8722	7417	3551	7037	8516	11366	3739	0	0	0	6198	5228	0	8411	8580	6538	5915	5618	0	7434	6839	2750	7613	3245	2822	7038	5498	8668	5457	3893	10602	5767	5027	15983	33328	28333	7163	6548	6041	6220	6374	0	4575	6982	4200	4605	2567	4140	8227	6682	2863	5881	5134	4012	6119	8148	8056	10131	2179	6532	0	8836	6947	4871	5990	5510	5747	4115	6990	4027	6494	3761	0	3093	8813	Lipid	0.3809524	1.3809524	0.04761905
16	C20 H29 O7 N3	424.20782	424.20834	-0.1254333	424.20776	7686	5782	7188	8010	2523	5278	4851	8406	3509	5529	4588	5814	2066	0	3933	8216	4296	0	5682	7793	4747	10025	5991	8758	6005	0	5890	14998	8515	7132	9304	8113	6975	9306	5419	8071	5668	4445	6082	4706	4395	4662	0	0	0	0	2964	0	8324	8512	6300	7759	4641	0	2813	0	3487	9690	4190	4960	0	3543	2328	2947	0	5246	2780	6822	0	0	0	8387	8088	0	4593	6956	0	5727	5132	0	5332	3074	2924	0	0	0	6016	5083	5113	0	20909	19790	0	2627	6846	0	0	3035	0	2139	1398	9687	4313	6777	0	0	0	0	8882	3679	Peptide	0.35	1.45	0.15
14	C20 H29 O7 N3	424.20782	424.2083	-0.15781087	424.20776	12957	9009	10246	9877	2614	7508	12326	14104	2871	7804	1953	6789	3370	2220	11263	12021	0	5920	7945	9557	9145	17923	8764	14327	15019	0	7621	8920	15993	12595	8896	16284	14652	12448	13353	11368	17867	8928	9162	9713	0	4857	0	0	0	11432	0	0	10366	13500	11991	7803	3900	0	3875	2101	3324	17831	13720	0	0	5530	3144	3845	3900	5773	6407	8485	0	2996	0	14719	11068	15014	6537	10843	0	8717	8096	0	6405	5280	9522	3564	3221	5106	10077	3614	5643	13901	58297	36689	29130	8372	10843	0	6956	9784	2864	0	1393	14352	10258	16778	0	13744	4133	0	7639	4007	Peptide	0.35	1.45	0.15
8	C20 H29 O7 N3	424.20782	424.20844	-0.14768517	424.20776	58240	65281	57712	67396	8638	15729	15114	30410	9577	37066	41719	12124	13976	4841	22683	29522	14278	13885	20237	25635	23099	50437	19855	36821	23945	4383	16757	197419	26701	24015	25025	30923	34785	26235	33288	27516	33757	18692	20565	27168	15390	12935	0	0	0	26214	15327	0	33722	21101	63753	52876	10667	0	15236	4010	6672	27559	16306	10653	22481	15429	14319	9923	6398	14880	12268	23094	3648	15438	8425	29941	22077	24496	12392	22093	0	20389	16912	163020	11943	9551	16338	14045	5903	6183	15637	12807	16236	29093	3402100	1785767	56028	68963	51073	0	58010	54774	6170	6778	4940	28779	15878	31378	9219	26032	5692	0	19741	12212	Peptide	0.35	1.45	0.15
10	C20 H29 O7 N3	424.20782	424.20837	-0.16352147	424.20776	35265	32663	31184	32097	7228	15495	16300	30422	8928	23605	16493	13813	7512	3664	20750	23873	13788	10604	16479	24122	15049	34155	16381	38314	24843	3173	12940	126004	25577	19419	24776	24031	62106	21563	24287	23253	30929	13890	20367	26007	12444	11969	0	0	0	22313	13090	0	26217	20334	44807	35185	9069	0	10134	3570	5439	29470	15787	9118	22976	10694	7632	6504	5485	12458	13556	17236	0	11657	4347	26208	21903	20391	11186	19385	0	18180	16388	72742	13642	9196	17784	11203	6354	6257	17697	11910	12014	32265	1232234	576766	52920	35531	28802	0	36669	37414	6129	2866	1954	28705	13118	35978	0	25207	4084	0	17323	10494	Peptide	0.35	1.45	0.15
12	C20 H29 O7 N3	424.20782	424.20834	-0.18906224	424.20773	15552	18713	12181	14650	5122	6357	16436	21459	3363	10742	5181	11757	5233	2677	15464	13860	13611	7406	15918	14827	12814	22100	16458	19643	23024	2081	10206	27987	20250	14702	20149	17009	23911	18875	15459	20184	21276	13434	17685	21675	8694	6855	0	0	0	23367	5522	0	21083	16800	13737	9736	7796	0	10401	0	6016	17600	16322	0	27511	10239	5378	6474	4024	4381	9753	14408	0	7968	6665	20330	17598	20629	9160	13677	0	14090	11268	27564	10441	7314	15780	8829	2575	5442	16340	6616	9838	22568	129873	83453	39736	12593	12581	0	16678	13614	2643	1246	2177	12429	12188	18943	0	24117	2046	0	17838	7181	Peptide	0.35	1.45	0.15
4	C20 H29 O7 N3	424.20782	424.20856	-0.1181918	424.20776	15691	13875	14730	16385	4231	9981	7122	12916	5733	8330	11207	5713	5077	1743	12572	15396	7405	8162	8515	10482	7597	17390	11129	14877	11158	2437	5546	61094	12862	9303	12463	11331	15508	9502	12208	12553	15310	9504	11674	10348	8651	7646	0	0	0	9109	7605	0	13246	10558	14903	15124	8194	0	10601	2888	3678	12327	10364	4136	14411	6414	4971	5653	4288	6964	5380	11233	1804	5004	3144	10354	9563	0	7869	8583	0	9843	9687	158278	7133	4592	7283	4657	3618	5592	10113	5749	7490	14744	394391	180985	29245	26814	15559	0	14130	18190	3585	3425	3641	0	8397	16018	5563	12074	3487	0	9846	6488	Peptide	0.35	1.45	0.15
6	C20 H29 O7 N3	424.20782	424.2085	-0.12852417	424.20776	56916	56247	50722	57227	8432	21712	15299	30689	10525	34509	38740	12308	12464	5380	25856	30792	14270	15134	16801	22818	19729	31943	16350	34177	22786	3178	12642	355575	28409	20599	26051	29900	41675	22116	30580	22989	34986	18036	17190	22781	14242	14220	0	0	0	21442	14729	0	33556	21137	58772	57691	10629	0	15344	4326	7117	36208	16300	8907	28980	12537	11225	10772	6762	12596	15194	21506	3258	11790	8272	24830	21210	23901	11611	19852	0	17130	14943	361174	13129	8059	11889	9660	6520	8777	18853	12405	15130	30189	3238342	1686837	52292	79816	53866	0	58961	54996	5318	3872	3982	31719	13164	35475	9535	25390	4991	0	16396	14405	Peptide	0.35	1.45	0.15
18	C20 H29 O7 N3	424.20782	424.20834	-0.036798734	424.20782	166873	153764	152908	149442	105499	96353	113567	187418	120827	244757	140267	106556	160529	68620	149825	194406	114105	156646	201057	270303	257204	148757	141962	188331	126339	181086	109610	133974	194470	155864	157404	170996	178031	148139	240385	160122	178484	117372	125439	174134	107510	98993	0	0	0	135540	101802	373	172063	155378	152983	148007	119938	627	173637	109030	81100	175734	130285	91631	163776	116054	154295	129312	68903	132136	102710	130816	142570	247736	220341	146789	127139	176657	123028	165773	0	111647	157153	95912	121320	92278	117996	99861	116448	91817	141964	90895	112035	124609	177278	194170	202360	88660	123181	0	160018	160043	96400	107605	110865	185833	100227	174374	75372	152815	94439	0	110443	149763	Peptide	0.35	1.45	0.15
20	C20 H29 O7 N3	424.20782	424.20825	0.14889541	424.2079	370068	381984	357802	332240	268680	265358	214278	430457	363536	727570	287978	208308	404042	208840	355369	339182	180029	430060	455840	740006	656456	389930	314792	404804	312745	397248	173982	300724	420317	333598	344245	369437	413994	324776	763810	359046	472529	257034	188870	441596	207412	232908	7758	0	0	358422	203114	1456	353070	317448	355311	360740	252432	858	483896	256928	181782	367696	357006	145466	369848	259310	386430	345920	169604	303792	235570	210012	319628	743178	441776	357942	339960	363772	214334	312414	0	281088	287268	164020	256876	169044	271242	255060	266998	207152	278874	188206	257440	216319	421841	392132	466128	196864	296854	3154	369718	364740	218274	229534	235444	401956	232018	435138	202830	350932	222776	0	245682	463598	Peptide	0.35	1.45	0.15
18	C25 H29 O5 N1	424.21185	424.21228	-0.20384486	424.21176	5097	4489	1715	3881	0	0	0	4334	1519	7777	10882	2098	0	1026	1309	5061	5623	0	2450	13514	8770	2733	2405	2429	2697	21135	3652	9939	0	3093	3403	0	4698	0	5582	3434	4136	0	6678	7230	12024	2419	0	0	0	3262	5734	0	2164	2959	4159	4689	1417	0	1913	0	1266	2175	1973	4650	3082	5477	0	0	2489	0	3668	6064	21693	20176	31745	2166	0	0	6120	0	0	2418	1630	6285	0	2449	1527	4689	0	0	4747	1775	2305	12496	6675	3945	7152	4511	8039	0	5406	1985	1458	0	0	5078	1933	3237	2640	1559	0	0	2527	0	Phytochemical	0.2	1.16	0.04
20	C25 H29 O5 N1	424.21185	424.21228	-0.19356985	424.21176	5492	10108	4633	8595	3105	3872	4003	3675	4277	16737	16214	3716	0	0	3357	12230	10459	3730	6774	19149	20609	9750	2317	9715	4573	44314	3823	18190	4536	6320	3850	7280	7259	4046	4845	3956	6383	3677	8721	11689	23418	4319	0	0	0	7832	11155	0	8343	3852	7963	6932	3571	0	0	2293	1981	7471	2644	9753	8278	10074	2845	2584	1686	2469	6169	10142	35440	32210	49144	4202	3616	1689	8437	3648	0	4610	6311	11272	3878	5988	3909	14634	1973	2348	11389	4417	4172	19699	9363	9272	11229	5843	6967	0	9029	5205	4427	2654	3249	9532	2929	6937	6609	11222	1905	0	6748	0	Phytochemical	0.2	1.16	0.04
12	C25 H29 O5 N1	424.21185	424.2124	-0.09864233	424.21182	0	0	0	0	0	0	0	0	0	6662	4957	0	0	0	0	0	2204	0	0	7802	6896	0	0	0	1357	16405	0	0	0	1179	0	1752	3765	0	3283	1564	2260	0	0	1883	0	1074	0	0	0	0	4738	0	1224	1400	1486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2694	0	0	24098	17038	1913	0	0	1108	0	0	1136	0	0	1053	0	0	3957	873	0	2389	0	0	4560	2934	0	3398	0	5089	0	0	0	0	0	0	0	0	0	0	1876	0	0	0	0	Phytochemical	0.2	1.16	0.04
24	C25 H29 O5 N1	424.21185	424.21228	-0.12259293	424.2118	9829	10520	8711	8170	5942	3029	3060	6739	3228	10464	29609	3812	2210	4695	4332	11280	5535	4060	6076	20673	15796	10277	4138	7590	6353	53935	2966	22879	7162	9864	6761	7294	8973	7708	6969	6731	5316	3928	5279	13226	24975	6496	0	0	0	16523	15755	0	8162	7805	9254	6943	7651	0	1627	3057	4018	7720	5929	7562	12890	10739	2317	4129	4397	4767	10087	9824	43511	33553	38282	6105	8801	4904	2106	5948	0	3334	7095	10206	4325	8043	6646	17769	4312	4454	9381	5415	5680	14261	8105	10686	15097	11558	4750	0	11904	7432	5665	3421	3635	10024	4337	11582	8548	10688	4925	0	4101	3146	Phytochemical	0.2	1.16	0.04
22	C25 H29 O5 N1	424.21185	424.21228	-0.16523683	424.2118	7045	15225	10789	9550	5237	4639	4079	9235	3812	14426	26823	5262	2964	6057	5675	11459	13256	3908	4763	19318	19587	9427	6282	14508	7052	49967	3105	24659	6419	7921	5145	6964	9403	6314	11044	9143	8527	4869	13690	15616	31956	5723	0	0	0	9841	15196	0	6233	8181	11110	10428	6930	0	2229	1614	3695	13327	7430	12864	12970	16171	3126	3239	3586	5201	8966	15241	48936	42874	58484	6912	5702	5937	5804	9576	0	4584	10842	13309	6000	7336	7463	19370	4142	4213	16490	8247	7687	30436	15624	9053	21453	10946	16466	0	9942	8729	4585	4315	4382	7531	5438	9626	6413	11557	3720	0	11710	4015	Phytochemical	0.2	1.16	0.04
6	C22 H33 O7 N1	424.23297	424.23364	-0.15693316	424.2329	19415	20389	14365	19066	4318	7195	13863	32435	5065	27529	7612	12975	6274	3989	16580	25051	17791	7864	10571	27969	26620	22111	15414	28312	16741	10447	12289	10683	30327	26821	23640	26499	29768	24575	31196	28333	25982	14168	20773	15158	13983	6587	0	0	0	18389	15694	0	32518	24269	17998	19101	6963	0	6181	4199	3191	26710	3090	3586	26314	9357	7200	6022	4266	6244	9660	19897	7302	16820	14724	22690	22054	26772	15782	21865	0	16886	11298	10636	11223	6402	8508	10956	3554	6166	15069	6060	9944	29050	30423	27211	33767	13557	21854	0	18792	19841	2850	4007	3432	25424	13133	26993	0	20892	3422	0	13836	6314	Lipid	0.3181818	1.5	0.045454547
28	C22 H33 O7 N1	424.23297	424.23343	-0.16792004	424.2329	7870	5390	7746	6125	8585	4967	1414	5528	6140	9133	3849	2095	9460	5373	3228	6627	3956	6424	8632	8995	14777	4599	4942	6462	3915	20514	2159	6470	4413	4988	4711	5684	7559	4424	8743	5707	6055	4075	6840	6490	6893	3569	0	0	0	5977	5719	0	3471	5578	6135	5303	4877	0	6787	6396	2837	6706	2165	3079	8067	3674	7702	5097	3040	10143	6136	3711	16180	29449	32771	3525	4324	3773	2304	4955	0	3011	5100	3808	5000	2413	3805	4829	8479	2812	7470	3563	2547	6090	7811	8007	6420	2090	4288	0	7062	7422	2891	7565	7381	6154	2580	5524	0	4882	3472	0	4088	8251	Lipid	0.3181818	1.5	0.045454547
14	C22 H33 O7 N1	424.23297	424.23352	-0.1827061	424.2329	107986	111490	98652	108542	58896	49546	91064	150118	44710	89100	64060	87906	65958	37084	107546	170936	151306	74460	97398	145954	145216	109398	109670	148810	112294	125630	68258	59400	135660	131666	106360	139526	140794	97600	112010	137460	109136	89888	159290	92352	89136	63848	0	0	0	116890	118158	0	127706	135996	102846	107438	57342	870	71442	57238	44704	154450	77466	92000	154314	57812	49064	55092	40326	70534	64022	140804	98994	129754	137792	99420	107684	139476	138960	121504	0	105350	119146	58186	86046	60142	73430	63068	97482	58680	116932	67394	72506	182524	202904	114086	193218	80292	124736	0	109726	134486	51670	56586	85554	143240	89044	162366	46822	122396	68430	0	102654	58942	Lipid	0.3181818	1.5	0.045454547
12	C22 H33 O7 N1	424.23297	424.23355	-0.1421011	424.2329	64776	57534	66652	60700	23066	29536	69966	112088	25010	56822	37670	48498	28124	21904	62562	81442	81354	35732	58940	105456	104386	63106	55918	73752	67240	62670	37710	28726	78774	61604	66662	83244	106494	65434	104606	79168	82660	56348	87674	63206	50654	29776	654	0	0	66218	53118	0	82926	76972	62376	51506	33838	0	34832	26790	20096	84480	17024	48102	50430	40566	35512	26430	16736	30150	40516	77920	31570	91118	84380	68120	70458	80260	65640	69970	0	55988	64364	46154	42028	31310	37716	50260	27488	19596	61520	20486	38262	126306	125179	86766	138618	42692	59196	0	55068	82026	28138	26750	31288	88584	52094	72620	0	74426	33172	0	58150	33928	Lipid	0.3181818	1.5	0.045454547
26	C22 H33 O7 N1	424.23297	424.23346	-0.1531661	424.2329	23795	23938	20865	26286	28017	15596	8849	19728	25173	32612	17726	11525	46490	17811	16544	18502	12312	32997	43472	40937	57847	18894	17498	27109	10481	53275	9808	15935	17747	13344	21016	21768	24497	22267	42922	24634	28070	12289	16510	28969	28698	10128	0	0	0	23471	18750	0	19717	17743	26323	22046	23981	0	28442	28168	14136	24054	12726	7807	28409	15573	34018	22816	10247	32507	21661	15244	46383	76063	77773	17453	20321	17044	15527	14812	0	13846	24309	11726	14024	11383	11598	19002	23035	14912	21634	14081	12521	20100	26405	24697	26498	11694	23668	0	22111	27109	19009	29003	37675	24478	8666	21712	13170	16385	15115	0	16297	33813	Lipid	0.3181818	1.5	0.045454547
10	C22 H33 O7 N1	424.23297	424.23355	-0.16114621	424.2329	34927	29912	27859	27148	11217	15650	24064	48798	9907	38124	22485	22071	14000	9632	23854	35379	28435	12242	18926	51406	40931	44292	19856	39336	29513	23155	21182	23565	40288	32409	36411	35510	41903	30611	48315	44145	44123	22174	30451	37062	17032	16439	0	0	0	34314	23466	0	45240	35337	29656	29154	13091	0	15053	6842	7039	44191	7465	10361	39877	16309	13954	11066	7094	16408	13549	29363	19641	39758	29879	34318	33185	43653	26728	34374	0	24365	22321	18049	21051	11534	10614	20740	9091	8160	26301	11694	17256	49775	121514	42832	68381	22935	36933	0	35400	30385	6150	7131	8931	37857	22054	52518	0	31525	7105	0	20508	15748	Lipid	0.3181818	1.5	0.045454547
8	C22 H33 O7 N1	424.23297	424.23358	-0.15932399	424.2329	26478	33062	26750	29670	11091	10640	18997	40504	9961	33282	12428	17039	11475	5676	26185	37684	22503	12155	18558	42701	37942	33884	20043	35504	22725	15358	20029	19236	41893	33114	33696	44293	43059	37732	49946	36311	41647	19581	33135	32392	19497	12532	0	0	0	32007	22559	0	46745	36886	24088	29633	11549	0	14153	6573	5866	29429	4889	4886	30882	17567	10941	9982	6152	11913	14869	34529	11752	32071	21592	35959	33673	39212	24136	35189	0	24505	18013	9910	16604	8477	10861	16733	5818	6928	20687	11348	16036	44862	69726	38751	62313	20055	34650	0	33646	29769	6665	6907	8779	38758	15979	47515	7773	30045	4683	0	17709	12073	Lipid	0.3181818	1.5	0.045454547
12	C26 H33 O4 N1	424.24823	424.2487	-0.24059863	424.24814	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3326	0	0	0	1374	0	0	0	0	3692	4869	0	1675	1829	943	2307	0	2579	0	0	2636	0	1672	0	0	0	0	0	0	0	0	0	1925	1871	0	0	0	0	0	0	0	1710	0	0	0	0	0	0	0	0	0	0	0	1453	1664	0	1429	0	4776	1950	0	0	0	0	0	0	0	0	0	0	0	0	0	7070	0	0	2381	0	1869	0	1829	0	0	0	0	77046	1239	0	0	0	0	0	0	0	Phytochemical	0.15384616	1.2692307	0.038461536
28	C26 H33 O4 N1	424.24823	424.24826	-0.21780051	424.24814	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1562	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	893	0	0	0	0	0	865	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9433	0	0	0	0	0	0	0	22549	0	0	25990	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1183	0	0	0	0	Phytochemical	0.15384616	1.2692307	0.038461536
26	C26 H33 O4 N1	424.24823	424.24838	-0.2331407	424.24814	3809	3053	3304	4149	0	0	0	0	0	0	4151	0	0	0	0	0	0	0	0	0	0	3558	0	0	0	14603	0	6228	0	0	3080	0	2759	0	0	0	4026	0	2272	3135	4463	0	0	0	0	0	0	0	2202	0	3434	2384	0	0	0	0	0	3305	0	2950	4563	0	0	0	0	0	3274	2929	12873	3899	7500	0	0	0	0	2688	0	0	8171	5708	0	2630	3449	4967	0	0	19453	0	3097	70263	7174	6664	10013	4543	0	0	2320	0	0	0	0	6070	0	0	0	8932	0	0	7933	0	Phytochemical	0.15384616	1.2692307	0.038461536
6	C19 H37 O9 N1	424.25412	424.25494	0.019800253	424.25412	1019	0	0	869	13062	664	0	0	2405	0	0	0	5046	53487	0	0	0	0	0	0	0	0	0	0	0	0	479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2068	0	0	0	0	0	0	0	0	924	1128	8245	0	5775	5891	20162	0	0	0	0	0	0	1360	1666	2529	11052	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1028	0	0	1206	542	0	0	1124	0	1118	579	456	0	0	0	0	0	7507	0	0	0	Lipid	0.47368422	1.9473684	0.05263158
26	C23 H37 O6 N1	424.26938	424.26984	-0.15445673	424.2693	38888	35447	35873	36648	45058	22413	22173	37432	42924	38804	37899	14356	47056	22793	25299	30497	30482	46057	81020	56117	49791	45401	19644	33872	39656	53709	20058	38727	57549	39141	32742	31642	53338	35690	52182	45361	51642	27435	24487	45095	30468	32359	0	0	0	31873	23526	0	35919	27425	37836	30029	36586	0	52097	46172	24167	47264	40905	15754	38933	26858	35349	33498	19189	44339	43827	23100	56366	66734	64338	30529	34334	36733	22508	32387	0	27603	28847	39765	16744	22240	37485	36389	42061	32008	47410	24555	34104	0	71539	75108	46053	39402	58552	0	38642	48095	31268	34881	39113	59934	18174	53957	33856	30080	34928	0	25687	32058	Lipid	0.26086956	1.6086956	0.04347826
20	C23 H37 O6 N1	424.26938	424.2698	-0.17170992	424.2693	28011	26600	29099	26380	27262	17939	29240	26867	24061	18013	23895	21903	27164	19982	20607	43666	50704	33111	50718	29292	34651	22518	19457	25875	24187	36136	28722	19594	39718	33109	24253	32557	36151	36877	13824	40950	31983	17708	41740	20065	22885	26023	638	0	0	12478	21435	0	37898	29368	24469	24140	25057	247	31581	29393	15400	34870	18626	22104	39572	10413	21863	25517	15263	25668	21429	49951	31455	28769	43394	25270	31972	36692	48691	29004	0	14661	27400	24401	17328	12080	24127	24505	29446	24437	39678	19590	23632	51266	45493	40280	36228	18453	23377	0	26913	33833	19178	29488	36068	45193	17210	37652	15050	34272	32282	0	26280	18799	Lipid	0.26086956	1.6086956	0.04347826
14	C23 H37 O6 N1	424.26938	424.2698	-0.022247074	424.26935	4220	2422	3145	2889	0	0	2465	6525	0	0	0	2964	0	0	4175	5054	3139	0	0	0	0	0	2312	5827	6561	1970	3225	0	8230	3983	6776	7087	4946	4419	5463	8298	4456	2865	2866	2883	0	2011	0	0	0	2007	0	0	8744	4707	2180	3679	1385	0	1731	971	0	8379	0	0	0	0	0	0	1430	0	2338	4404	0	4290	0	6742	4245	6763	6932	4781	0	3092	2615	0	1358	0	0	1216	0	0	29866	1936	1596	24604	17109	0	16642	0	3851	0	3441	3446	0	0	0	6441	3545	3450	0	4818	0	0	3676	0	Lipid	0.26086956	1.6086956	0.04347826
10	C23 H37 O6 N1	424.26938	424.2699	-0.09214302	424.26932	5663	6944	5626	5622	0	2488	6266	9765	0	5031	0	7467	0	1687	5411	8167	8097	0	2839	7476	4232	4630	4843	3925	11490	2160	8444	3317	10024	11518	10365	12952	14481	10434	4563	10192	13160	4840	6074	2463	0	1566	0	0	0	3327	1558	0	16592	7825	7191	7218	1296	0	0	0	1353	15599	0	0	8937	0	0	1432	1143	0	1450	8509	0	3272	2579	8497	8835	10775	6381	9842	0	6019	6323	0	2754	0	0	3750	0	963	29167	1778	1113	26753	16669	5362	14678	2917	4535	0	6736	6798	0	0	0	9203	7604	7750	0	7380	0	0	7615	0	Lipid	0.26086956	1.6086956	0.04347826
18	C23 H37 O6 N1	424.26938	424.26987	-0.12561134	424.26932	6204	7566	8310	5967	8230	3929	9134	12896	5380	3610	6584	7273	2697	3682	10303	14240	19096	6526	6269	4882	6298	4543	7751	10698	7560	7968	9851	4242	9856	13827	10172	12575	11406	10696	4910	14990	9392	9148	16078	3941	3561	5596	0	0	0	3078	4516	0	14341	6540	9656	6876	6169	0	4015	6929	4698	14011	3002	8494	13714	2315	5655	1735	5676	5227	6610	23090	6480	8876	12784	6166	8664	11384	19454	12769	0	6949	9942	5641	5769	1590	3920	3898	9952	7622	11170	5657	8006	19877	20779	11168	14748	4880	8840	0	7504	12059	5520	6340	8482	17653	6277	7973	2733	8587	5061	0	8378	4227	Lipid	0.26086956	1.6086956	0.04347826
12	C23 H37 O6 N1	424.26938	424.26993	-0.058946453	424.26935	4658	3512	3519	3868	0	1756	5278	10189	0	3892	1924	4557	0	0	5020	10551	6147	0	0	6073	3741	0	4345	4167	7156	1344	3854	0	13209	6951	7348	10987	15030	8636	6910	8762	7887	5772	4230	3045	0	2695	0	0	0	3544	0	0	11459	5942	7026	3757	1416	0	0	0	828	8582	0	0	0	0	0	0	1453	0	1895	5842	0	3684	2046	11346	10738	10321	6072	6648	0	6338	6622	0	1782	0	0	1907	0	0	75825	956	1481	54305	16967	2547	12846	2791	2536	0	3741	3415	0	0	0	8928	4739	4429	0	8516	0	0	7642	0	Lipid	0.26086956	1.6086956	0.04347826
16	C27 H37 O3 N1	424.2846	424.28516	-0.09188803	424.28458	0	0	0	0	0	0	0	16442	0	0	0	63335	0	0	0	30580	0	0	0	0	0	0	0	0	9715	0	0	0	0	0	4793	0	0	0	0	0	2423	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2331	13487	0	0	0	0	0	0	0	Lipid	0.11111111	1.3703704	0.037037037
24	C24 H41 O5 N1	424.30576	424.30615	-0.17164381	424.30566	4279	6520	6760	7327	5646	7712	19996	3035	2165	2871	5598	3543	2580	6320	4379	6872	28879	4254	6401	0	3732	1371	3404	1035	5799	6434	22580	6219	7332	8571	3622	6197	15477	4708	2740	5058	6795	3255	45968	1769	3946	5827	0	0	0	1564	2515	0	4931	6003	5185	6611	7405	0	6190	4983	2569	4663	3450	5552	7417	1027	5191	1284	3345	6182	7309	13322	3487	2038	2569	3224	5387	9770	7444	7475	0	2960	3843	4165	921	2108	7209	6059	4489	4044	8475	3084	5722	16620	13999	7147	6627	1245	2124	0	5763	6004	2142	4771	8873	41587	3094	3959	1893	5795	4502	0	6345	3359	Lipid	0.20833333	1.7083334	0.041666668
14	C24 H41 O5 N1	424.30576	424.30615	-0.17342894	424.30566	4584	4194	6123	1526	0	0	23885	16419	0	0	0	3567	0	0	1801	5195	4021	0	0	0	0	0	0	0	4556	0	29161	0	8051	16235	3960	0	6273	2272	0	5584	4495	0	1687	0	0	0	0	0	0	0	0	0	5708	9100	0	1734	0	0	0	0	0	5578	0	0	0	0	0	0	0	0	0	4973	0	0	0	3560	15217	370353	9254	50073	0	5906	0	0	0	0	0	0	0	0	24753	0	0	19206	5938	0	2380	0	0	0	2037	2888	0	0	0	6364	3601	0	0	1914	0	0	2796	0	Lipid	0.20833333	1.7083334	0.041666668
26	C24 H41 O5 N1	424.30576	424.30612	-0.1866476	424.30566	7485	7134	8722	7428	8211	7045	18795	0	6412	2267	7708	3067	4570	4762	0	5813	9678	7069	7549	0	0	5719	0	0	10127	8719	15887	13190	8407	7530	2832	9636	13687	7351	4028	9728	9736	5803	7655	5943	7503	13748	0	0	0	0	0	0	8723	8948	6922	6872	7107	0	7945	0	5358	10770	6172	5048	7880	2871	3485	3842	5276	8049	14315	12836	5564	6939	5120	2902	8553	7646	0	9468	0	3786	9616	14299	4156	7807	10354	6578	8585	6894	28686	4332	7612	14993	21690	21521	6943	7084	5584	0	5275	5153	5560	8699	9745	14417	0	10924	0	4276	9824	0	11760	3967	Lipid	0.20833333	1.7083334	0.041666668
16	C24 H41 O5 N1	424.30576	424.3061	-0.056394003	424.30573	4011	3535	2342	2154	0	0	9623	19364	0	0	0	12991	0	5196	0	4476	0	0	0	0	0	0	0	0	0	0	19625	0	8910	9597	10841	3232	0	3844	0	4407	2759	1824	0	0	0	1219	0	0	0	0	0	0	13072	3845	2216	3752	0	0	0	0	0	5411	0	0	10157	0	0	0	2610	0	0	2579	0	0	0	23075	3641	9771	0	15113	0	16809	0	0	0	0	0	0	0	0	33543	0	0	0	6471	0	0	0	0	0	2319	0	0	0	0	2192	11817	1750	0	0	0	0	1591	0	Lipid	0.20833333	1.7083334	0.041666668
26	C21 H45 O7 N1	424.32687	424.32767	-0.060371377	424.32684	0	0	0	0	21003	3294	0	0	0	3104	3172	0	7485	15916	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2810	0	0	0	0	0	51694	0	0	17247	0	0	13299	3736	8447	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28967	0	20715	0	0	0	0	0	0	0	0	3565	0	0	0	0	0	0	0	297411	0	0	0	0	0	Lipid	0.33333334	2.142857	0.04761905
22	C21 H12 O10	425.05032	425.05078	-0.10746534	425.05026	7744	7062	3668	4416	12306	5718	2510	2851	13524	3268	1903	4152	11308	0	5273	4076	3066	18646	12122	4294	4524	14189	5011	4095	3125	0	2849	1361	0	0	1273	0	4887	0	7656	0	3398	5165	2660	2338	2754	4667	0	0	0	3951	4010	0	0	1736	5873	7500	10511	0	15009	10508	5932	5395	1333	2500	4157	1827	21785	8891	7486	20598	8252	4380	0	2376	0	1663	1302	1057	2396	2961	294	4644	10981	5583	11518	3937	1639	1718	23065	10834	5666	7798	6119	6304	2008	0	3762	13465	8359	0	5752	5972	7566	15675	12663	4745	3008	3432	3769	4762	11455	0	3545	19191	Phytochemical	0.47619048	0.5714286	0.0
18	C21 H12 O10	425.05032	425.05087	0.09104491	425.05035	4896	3197	4952	3248	13700	3238	1457	0	15540	10654	4725	2597	17653	4570	2009	2437	2140	10756	11806	5042	4309	20910	5064	1466	0	0	1654	1750	0	0	1442	0	3197	0	12900	0	2153	3284	2189	2748	2603	3516	0	0	0	3719	6964	0	0	0	5949	5390	9954	0	10255	11171	5764	2473	0	1642	0	4538	21429	8596	4764	13622	6208	0	1481	0	0	0	0	0	0	0	0	1185	9174	11980	7243	4326	0	2139	12846	9038	7754	5131	7157	3188	0	2130	2790	20001	18351	0	4686	3157	12443	19550	9494	3310	2611	0	4521	2635	7231	0	2832	14976	Phytochemical	0.47619048	0.5714286	0.0
16	C21 H12 O10	425.05032	425.05103	-0.004935406	425.05032	7663	4772	6730	6408	13440	5003	0	0	14280	19424	11264	0	17490	4303	0	0	0	14349	12069	4346	7662	33648	1815	1481	1440	1871	0	2207	0	0	0	0	0	0	24239	0	0	1134	0	9939	9304	3732	0	0	0	6942	3814	0	0	0	7473	4537	6482	0	12270	9585	4279	0	3265	0	0	5928	21542	10497	5160	12658	4781	1963	7046	4716	5860	0	0	0	0	0	0	0	5206	20164	3021	5998	1074	0	14033	5693	5472	5931	4744	0	3218	3320	0	33918	25206	0	7733	6787	13383	14555	12344	0	0	0	0	0	10493	0	0	17108	Phytochemical	0.47619048	0.5714286	0.0
20	C21 H12 O10	425.05032	425.05087	-0.06628042	425.0503	5830	5398	6397	7181	12229	6482	2137	0	11002	8676	4150	4050	20153	4666	4727	4602	0	17398	18815	5204	5596	17701	5180	5011	2678	2211	2910	0	2241	0	1643	0	4330	0	9621	0	3503	4554	3509	6758	4482	3649	528	0	0	6353	4919	0	0	0	8282	3508	12997	0	14440	12296	8746	3224	2848	3994	6559	2333	28677	17487	8284	17156	8655	1955	2399	2549	5545	0	1205	0	1381	0	0	1865	11972	12149	13131	6252	1378	0	17710	11594	10660	10397	7419	7342	0	3257	5639	17317	15908	0	6780	3856	10912	16302	12002	3350	2590	4265	3235	2029	12338	0	1736	17540	Phytochemical	0.47619048	0.5714286	0.0
14	C18 H16 O10 S1	425.05368	425.05426	-0.09664642	425.05365	2853	0	1961	2364	3465	2893	0	0	2081	13410	7779	0	9457	0	0	0	0	2832	5811	3907	2851	18158	0	0	0	1566	0	0	0	0	0	0	0	0	19734	0	0	0	0	3875	8341	0	0	0	0	1679	0	0	0	0	0	2908	2422	0	0	3411	1777	0	0	0	0	3104	6180	3819	1953	4977	0	0	0	1535	2767	0	0	0	0	0	0	0	0	0	1167	2283	0	1398	3108	0	1651	0	1215	0	0	2804	0	19711	20374	0	0	0	3383	4699	2026	0	0	2595	0	0	4705	0	0	3733	Organosulfur	0.5555556	0.8888889	0.0
12	C18 H16 O12	425.07144	425.07208	-0.010777837	425.07144	34342	32850	29672	33020	65545	22853	2704	6057	87094	16436	27685	17272	105761	17832	13663	7946	7489	62759	69473	19794	28757	59195	27110	6478	1373	1452	4045	0	4417	4062	5953	5505	11512	5375	43135	3528	9833	17177	9821	14191	33174	26106	616	0	0	17972	35405	0	6618	4860	39880	32828	44018	0	72973	72280	32819	6737	6468	10440	0	18081	174704	80496	26308	87515	27422	10658	0	2226	7110	4528	4571	2400	8493	5492	0	10408	25116	18283	22216	17480	0	0	81120	24062	21742	27034	26807	14951	0	8534	11647	67171	23067	0	36136	36349	81551	95672	84041	12869	11924	7651	21273	10316	59713	0	4082	144740	Phytochemical	0.6666667	0.8888889	0.0
22	C18 H16 O12	425.07144	425.07217	0.3077686	425.0716	3894	3162	4082	3890	14895	9689	0	1970	11600	0	3071	1614	27231	4943	0	0	0	12992	14919	0	2541	5003	4044	1632	0	2123	0	3401	2137	0	1301	0	0	0	5644	0	2253	1667	1355	2261	3100	0	0	0	360	4968	10853	0	0	0	5788	3695	5777	0	17968	12456	3829	0	3117	1518	0	0	27387	15142	0	15825	2951	1296	4548	4012	2329	0	0	0	0	0	0	2554	3082	6214	3245	6005	0	0	18018	3714	2985	2400	2013	0	0	4764	2325	9700	10136	0	4277	5218	9996	13666	13855	0	2142	1709	8806	0	9971	0	0	27255	Phytochemical	0.6666667	0.8888889	0.0
10	C18 H16 O12	425.07144	425.0721	0.005057986	425.07144	18773	22004	15201	14496	49205	17796	2982	3513	58859	13807	16012	10303	79294	12959	5525	7677	7411	38011	39673	7055	24744	28166	15563	7578	1267	0	3549	0	1783	1562	4006	3270	9263	2794	18616	1840	7533	8830	7497	5714	17747	16344	0	0	0	6599	19908	0	3934	2571	18410	17164	27615	0	47587	50807	20019	3837	4225	7601	0	8357	92403	52486	20909	51751	17374	7505	0	0	5459	3347	1941	1788	11926	5434	0	3769	20571	16755	14029	8770	2066	0	61079	14032	14856	19743	17841	9339	0	4511	9355	35494	20367	0	18497	16101	52080	83701	64978	8021	6494	4160	0	6030	43227	0	3948	92116	Phytochemical	0.6666667	0.8888889	0.0
8	C18 H16 O12	425.07144	425.07214	-0.019503592	425.07144	9110	10247	4948	11726	23324	6883	991	0	25096	5370	6619	4204	37187	3548	2430	3913	2828	14897	18610	4113	7900	9180	6772	2135	0	0	2266	0	1562	0	908	866	2445	0	8646	1865	2360	2602	2264	1620	5350	6377	0	0	0	1605	5035	0	1137	1365	7210	9573	12175	0	16477	23674	11398	1707	975	1853	4628	2498	49362	26770	7291	26040	5943	2774	0	1708	1856	1835	876	0	2184	0	0	2095	5472	3247	5796	2805	767	0	29470	7373	3778	10750	8483	3831	0	0	2850	14953	6267	0	10258	7649	29129	44084	32559	3319	3020	0	0	0	22408	0	1960	40347	Phytochemical	0.6666667	0.8888889	0.0
12	C17 H16 O11 N2	425.08267	425.08344	0.20786487	425.08276	22272	32345	24388	17544	47184	21586	0	0	60682	55787	42690	6444	66902	5096	13587	6380	11484	36445	30155	22212	40457	65099	15558	0	0	25917	0	0	0	0	0	0	9700	0	65296	0	17359	5664	6152	25303	73399	17628	0	0	0	21093	47045	0	0	4368	11844	21828	27243	0	50693	47713	20719	5733	0	0	0	33407	117191	62669	22265	51570	17354	0	0	45645	60940	0	12255	0	4305	2856	0	13796	20354	0	18221	25690	5216	9768	46117	20920	12419	23416	14981	21408	0	0	10616	70281	32376	0	25450	25763	44611	44987	47907	0	10358	0	0	7072	33586	0	5304	128984	Phytochemical	0.64705884	0.9411765	0.11764706
26	C22 H16 O9	425.0867	425.08716	-0.15338476	425.08664	6710	8340	5727	6372	12392	4768	1693	0	11590	18100	6099	0	12311	5950	0	0	0	17890	20533	8267	11901	22606	0	0	0	11963	0	0	0	0	0	0	2410	0	26736	0	2572	2914	0	6872	8976	0	0	0	0	7191	10535	0	0	0	6503	7776	7020	0	12693	8413	4901	0	2479	0	0	4336	18626	12602	2787	9691	3129	0	12730	15090	27170	0	0	0	0	0	0	0	11345	12387	7401	6324	0	6473	14814	8975	5931	4609	2693	1994	0	3365	0	19236	32799	0	7683	7405	6539	13553	12902	0	0	0	0	2780	8153	0	4889	18716	Phytochemical	0.4090909	0.72727275	0.0
16	C22 H16 O9	425.0867	425.08725	0.0228281	425.08673	22068	22146	16355	16859	20192	10099	3171	3265	27800	74503	51634	2123	34432	13815	2405	4337	3431	18086	25377	46308	49461	43445	9518	5505	4691	43562	5764	28405	1759	2115	3173	2889	6293	2429	96617	0	5973	6497	6237	22374	36171	5984	406	0	0	20368	36458	0	3686	2907	21528	15950	15295	0	18908	19542	9257	4582	4200	5110	0	19085	39141	17856	9233	28515	13313	4343	45377	55122	71349	2602	2096	0	3300	2475	0	3449	19058	29855	13093	25150	6059	21846	28622	12165	14116	8427	10609	0	10957	13478	0	50749	65978	0	21135	19438	27183	23117	24002	5514	3437	6737	16712	0	18820	0	7600	30649	Phytochemical	0.4090909	0.72727275	0.0
18	C22 H16 O9	425.0867	425.08725	-0.009409825	425.0867	34161	28513	28156	29979	33640	19338	8846	5399	37450	101494	66952	6366	41232	19291	13191	8579	6409	35059	47356	62778	63151	69747	12214	10727	8168	79046	8627	38206	0	2072	2515	3651	8564	0	126364	2552	11588	7984	8613	38913	42185	13064	1389	0	0	31939	43671	434	5223	3655	29940	37006	23989	0	41499	31501	16421	11757	9115	11108	8633	26109	58870	32297	18020	41295	18525	8453	55076	71022	99947	3088	2037	0	4770	0	0	3735	24946	46692	17235	37111	7489	28079	36540	24679	23906	17033	16659	18283	17748	19403	12180	67067	91790	0	34670	29373	40720	38680	29680	8621	5738	10738	25565	11381	30022	0	9407	47236	Phytochemical	0.4090909	0.72727275	0.0
22	C22 H16 O9	425.0867	425.0872	-0.08804693	425.08667	24153	24215	18321	17584	26072	14974	7545	4831	28604	56429	36153	5934	26143	19568	8078	6487	3117	40008	35535	40362	31150	51946	10329	6077	9675	43340	6991	16809	4657	3805	3777	4385	8559	3501	72411	5815	10668	7840	7895	24695	32766	9895	0	0	382	31007	38584	0	7328	4780	16869	25740	17765	0	34859	23367	14924	8300	7168	7576	10499	21729	38869	29311	14752	29491	13080	3866	46785	55402	66571	2144	2767	0	2291	3444	0	4789	25276	34622	17725	22791	7876	27998	34332	23877	20721	12096	15983	16120	8145	13195	16245	60592	74976	0	19918	20352	26892	28163	25400	8562	7166	6363	23321	10180	24853	0	12173	38568	Phytochemical	0.4090909	0.72727275	0.0
24	C22 H16 O9	425.0867	425.08713	-0.09296863	425.08667	10336	12914	11785	10456	15570	6944	1682	2602	20802	34395	17462	2840	20339	6292	7452	4757	3205	25849	20303	17673	20452	32020	8076	4358	2930	22394	2134	6370	0	1140	3529	1613	3012	0	38130	1687	4996	5130	3174	10326	13928	2721	0	0	0	11312	19304	0	1201	2304	14747	11014	9012	0	22844	15114	8272	3904	2887	4497	6229	8070	26481	15904	9581	17119	7207	3006	19163	26792	36322	1075	0	0	0	2040	0	2792	16344	22556	10187	13520	2365	13370	26012	9976	11425	8474	5702	5591	4726	6777	6227	33195	42176	0	10717	9966	12629	21290	19278	3092	3463	6172	10195	4698	15390	0	6869	21274	Phytochemical	0.4090909	0.72727275	0.0
6	C23 H20 O6 S1	425.10535	425.10605	-0.16823092	425.10526	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	668	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	653	607	0	0	0	0	0	0	0	0	0	0	800	0	0	0	0	0	0	0	22692	0	0	489	0	0	0	0	0	0	0	0	0	0	934	0	0	0	0	0	0	0	0	0	0	1154	1248	988	0	0	0	0	0	0	0	1302	Organosulfur	0.26086956	0.8695652	0.0
8	C23 H20 O6 S1	425.10535	425.1058	-0.1705275	425.10526	0	0	0	0	1891	0	0	0	3009	0	0	1496	0	0	0	0	0	865	1043	0	0	1808	1383	1051	0	0	1304	0	0	0	866	1228	0	0	1298	888	0	1104	904	0	0	0	0	0	0	0	0	0	0	0	0	0	1090	0	1481	2315	2403	0	3448	0	0	0	2160	2498	0	3015	0	0	0	0	0	1745	0	0	37243	1181	0	1369	0	0	0	1559	1509	0	2694	0	0	1280	0	0	0	0	0	0	2593	0	0	1132	0	2407	0	0	0	0	0	0	0	0	1105	1230	Organosulfur	0.26086956	0.8695652	0.0
8	C19 H20 O11	425.10785	425.10852	-0.02260069	425.10782	53765	59421	40333	54583	53074	31759	18245	27605	77227	101181	81641	29872	176762	25803	27597	33950	38763	58819	74991	69590	103994	76279	44783	31545	10190	14368	21313	29560	20681	25356	23180	28785	29527	24012	124594	22633	39243	29373	44129	48111	165998	35744	1108	0	0	48970	167322	0	29008	28913	47663	66066	42645	0	75289	124172	35508	36391	24878	40260	42667	40576	212594	158710	38180	66748	35615	46908	49614	32065	71063	32102	29704	23105	20026	27015	0	23362	48675	39570	45390	71668	16537	19266	80048	31745	43470	42226	34774	48908	0	21720	41963	78812	66501	0	52022	52020	72713	84876	72565	35163	25985	34646	38472	32052	66102	0	21907	206808	Phytochemical	0.57894737	1.0526316	0.0
6	C19 H20 O11	425.10785	425.10855	-0.007296625	425.10785	12812	14589	12667	12319	18978	10437	5523	7777	24606	26696	21149	7496	26316	8638	7227	12819	9831	21257	22542	15388	24071	12305	11400	11662	3116	4408	4762	3784	4937	6167	6374	7734	9162	6224	26872	7119	6699	9002	13430	7792	17581	10094	0	0	0	8905	16851	0	7213	8019	12049	13960	13506	0	24061	20458	10645	8308	8201	11627	8764	9288	35489	20724	9050	21966	13023	12490	12954	9748	14156	6422	7723	6301	4230	6591	0	6142	13397	6877	11350	6387	3422	3258	29187	15900	12508	11349	12308	14001	0	6032	8665	13494	13469	0	12406	13524	17041	25621	31565	9844	8263	10213	16666	9388	22069	0	4788	71672	Phytochemical	0.57894737	1.0526316	0.0
22	C19 H20 O11	425.10785	425.1084	0.061821543	425.10785	19311	21134	19498	21707	24488	19475	5804	12365	32597	26578	9606	8837	34949	15354	18297	6698	7157	40009	26002	28887	23810	20421	14628	11988	7146	5730	5284	7384	7296	5891	5548	6426	10375	9479	28983	10266	13356	9762	8645	20069	14700	8667	0	0	580	33224	46129	0	6887	8827	18931	21346	20467	704	33287	19138	13605	8313	10032	7652	7851	22658	39504	33003	6494	29531	12487	8445	12435	14721	14593	11490	5835	8725	4344	8148	710	12800	16517	9939	14172	28967	7826	8234	29141	18298	13554	10694	15175	5392	8242	11320	11800	19258	22333	0	17410	17608	21382	19511	17210	6394	10261	9395	35315	8686	20272	0	8367	53561	Phytochemical	0.57894737	1.0526316	0.0
16	C18 H20 O10 N2	425.11908	425.11963	0.003032166	425.11908	27276	32236	24357	31253	23765	26999	15441	27561	27748	32671	19991	24397	49733	13636	30349	28034	19776	44249	47438	26554	41271	52652	31486	35086	16061	3267	15476	9027	20532	16843	22136	26897	32806	21265	37256	19583	36311	24157	23070	32890	37999	22918	455	0	0	36908	55937	0	25691	24134	27288	32842	20998	0	44433	22275	19432	31744	23990	17377	25684	28134	44130	37441	16301	34836	27554	27055	6771	8143	8273	24867	21303	22453	22116	18586	0	23266	30869	24322	22507	29034	14364	12904	32938	16398	25254	24733	23438	36635	15264	30924	39329	27508	32038	0	34463	34754	18991	20165	19422	30276	26660	20944	32923	33480	19213	0	23066	62513	Phytochemical	0.5555556	1.1111112	0.11111111
14	C18 H20 O10 N2	425.11908	425.11966	-0.037238345	425.11905	63299	58003	53916	58276	41682	40320	28856	49249	54079	60913	47195	44836	79593	19826	41715	52417	49821	67003	60442	45348	73568	118987	57108	51801	24580	5183	28174	17013	31570	41492	36830	41078	61626	34509	94004	41386	54853	48471	47143	69261	77785	35765	0	0	0	71506	114053	0	38490	41253	49287	49499	35808	0	74335	40728	29415	43289	57635	43022	37282	76842	85536	72235	30766	46309	35855	46989	18117	20819	22106	45022	43046	33223	41311	35019	0	44363	45196	42125	38760	54775	20892	22228	43391	30579	43040	46730	42923	85340	22822	52475	81497	71510	57133	0	50284	48778	33068	42696	37594	54326	41880	47490	73827	58806	33075	0	29564	83941	Phytochemical	0.5555556	1.1111112	0.11111111
8	C18 H20 O10 N2	425.11908	425.11972	-0.028048119	425.11905	63146	68594	56663	70501	41776	27859	25728	49867	58193	86991	66865	52276	76426	14135	47059	54044	70414	62582	74478	72654	102472	119041	56085	60507	13603	5778	25855	21217	38570	46952	47718	51063	64131	42602	108172	47408	67512	40577	63919	78187	143956	45302	514	0	0	66790	146530	0	60436	64396	64253	65923	43233	0	77517	47054	35082	48082	44902	69822	68479	69352	114296	78674	41609	59498	47377	82104	23852	19890	39188	54440	53502	43915	47764	46419	0	37711	44443	33420	36864	48944	24440	22734	53306	29899	39565	56160	50622	88786	24223	44612	90051	86857	69410	0	62934	70833	42205	58665	51751	69377	48513	64104	65186	63586	40689	0	25120	101225	Phytochemical	0.5555556	1.1111112	0.11111111
6	C18 H20 O10 N2	425.11908	425.11978	-0.033421945	425.11905	26770	33309	26022	27753	23952	12880	10642	23083	26747	36024	29129	24806	40505	6831	16468	25121	27559	33685	37168	27412	45664	44714	25799	26547	5340	2140	11588	7361	18284	22162	19178	24047	31478	19299	40829	18773	28777	15699	36410	24478	58301	22089	0	0	0	29211	52130	0	25049	23660	29188	29220	21226	0	35602	24427	15315	25877	17060	30522	25257	24263	54770	39655	16765	34586	26555	45624	11231	6431	14223	18754	22093	16673	13567	17650	0	16706	18370	10874	15268	16199	8264	8578	28448	14926	15950	27769	23691	42592	8793	13813	35554	32464	29690	0	26373	22366	17652	30508	28445	31818	20489	29516	27181	31572	21458	0	12178	55081	Phytochemical	0.5555556	1.1111112	0.11111111
20	C23 H20 O8	425.1231	425.12357	-0.061441906	425.12308	73989	71222	70630	57905	57844	40435	18753	22577	81445	230963	151436	14014	84715	50880	23660	32608	18770	71222	90446	161701	183494	102757	35764	25736	24224	295752	19755	127438	16899	12669	13065	17491	24255	17636	267038	17437	24802	23894	19548	111475	105116	30043	2772	0	0	91422	113671	646	24696	21718	63206	72565	47013	469	63535	64640	32742	22734	28648	19566	27351	77566	101943	52956	33157	74022	45500	25859	218353	286174	329544	18672	14513	7148	8498	14769	0	19648	46458	88701	44268	70460	25649	115558	79306	39657	48833	32281	36273	32328	45992	53570	38602	119971	129237	997	71418	64095	74566	72990	64848	21239	17068	39020	72571	26967	60866	0	29570	93771	Phytochemical	0.3478261	0.8695652	0.0
14	C23 H20 O8	425.1231	425.12366	-0.039970037	425.12308	19918	22521	20161	21700	16928	10822	12464	12347	17445	57164	42285	9309	13941	9572	7910	17191	8594	12157	18466	37758	41686	23537	12743	15302	7740	64037	11288	19493	7081	7565	9519	11292	9768	8940	61499	8012	8757	11225	8854	25489	37234	6809	0	0	0	20408	39125	0	8621	7380	24132	22937	12846	0	18420	12316	9811	16992	6129	10685	0	22159	20676	19468	7449	15068	8304	10935	58055	68527	87682	10638	6896	7932	8730	11195	0	8911	22452	17144	15848	24536	12179	20058	19012	8358	18491	6800	12153	21110	15938	10516	11997	24136	33757	0	16584	19770	20668	13941	14282	7021	10342	17406	0	9936	12050	0	10787	16600	Phytochemical	0.3478261	0.8695652	0.0
12	C23 H20 O8	425.1231	425.1237	-0.02790269	425.12308	9608	11486	9472	13518	8444	3256	9160	3324	6322	26873	17357	4742	4489	3552	5759	6226	5628	5655	5610	17470	11887	10011	4451	9530	3542	24583	4242	10334	2267	4097	3782	4751	3728	3119	22304	4041	6191	3540	7015	5789	11077	3097	0	0	0	12336	11493	0	3698	6509	8062	8744	5088	0	5887	3808	4759	6812	5806	8029	0	7839	8449	4952	2813	5098	3010	5427	0	25714	28401	4124	5521	3982	5554	5104	0	3672	7406	0	8727	9892	4719	9297	7255	3450	5951	2738	4726	13967	0	5351	7040	10008	11949	0	9312	7306	9046	7617	5207	3828	3668	5930	0	5200	5884	0	5457	9058	Phytochemical	0.3478261	0.8695652	0.0
28	C23 H20 O8	425.1231	425.1235	-0.11997313	425.12305	5636	6221	6661	6018	9269	3974	2156	0	7805	15540	8836	1177	10917	4415	0	0	2415	9380	12302	11794	10889	11031	2674	3073	0	18242	2090	8661	0	0	1050	0	1283	0	20801	0	1017	2320	3007	7811	10744	2337	0	0	0	6290	9288	0	1578	0	5216	5368	5266	0	7791	5198	2152	2604	1750	1903	0	4890	10998	6737	2813	8948	3456	1786	23131	22769	36374	0	1168	0	0	1042	0	0	6498	13174	4324	5013	2017	5852	10441	2375	6642	2643	3597	2933	1875	3568	2925	12089	17883	0	5187	7530	6497	8951	9409	0	1406	0	3706	2216	6134	0	1960	9891	Phytochemical	0.3478261	0.8695652	0.0
16	C23 H20 O8	425.1231	425.12366	-0.02683062	425.12308	38227	48117	34831	38653	31548	18408	16813	15668	32229	113684	84900	13618	40008	21191	15087	30770	19911	29239	47473	85013	91676	49318	21278	22438	14959	142177	10979	61118	14664	12916	14803	13871	25328	13676	131803	13244	17662	15624	18632	55086	50431	16609	843	0	0	40489	59708	0	14185	16266	41012	43891	23741	0	25121	30039	19733	25445	18823	16913	23308	32821	45602	26803	17327	33015	21286	17107	114998	164649	176096	14660	13469	10921	13182	13491	0	8826	38727	39817	24331	41118	17217	49078	49494	20865	29719	15380	21111	30404	26903	24531	34213	54296	70071	0	42549	40108	33617	28555	30941	22452	14980	19428	23679	15267	25368	0	20792	40238	Phytochemical	0.3478261	0.8695652	0.0
22	C23 H20 O8	425.1231	425.1236	-0.06903256	425.12308	53950	50469	42623	46396	57112	30205	14697	17099	61967	149479	119713	10312	60397	32769	18183	19508	13666	62226	57399	103498	115162	80090	24548	18756	17583	192984	9512	89352	11914	7420	11038	8620	16858	8596	170740	8848	22347	17867	13465	74583	77716	20209	3214	0	362	72109	67653	0	13492	7686	50429	43986	40105	468	46153	49483	23911	17802	18535	16341	19281	58772	79929	49753	27890	65266	35002	14698	162254	205792	233344	10171	6457	4487	6427	10361	403	13406	43365	59524	37322	58374	15760	66906	64995	39338	36813	21387	21215	20934	26986	36790	24405	89473	99317	0	39943	48560	51548	54902	46983	15025	12226	18404	52098	20411	53352	0	20835	77157	Phytochemical	0.3478261	0.8695652	0.0
24	C23 H20 O8	425.1231	425.12357	-0.059522506	425.12308	22398	21831	22586	24850	29254	17787	4738	3787	33610	64008	51472	6369	35053	13727	7772	6840	5396	32080	34247	49608	52178	44455	14472	7770	8206	87124	2752	35984	4981	4272	5200	3686	5311	4398	85564	3103	6428	6083	5190	35179	46607	8158	0	0	0	34010	44742	0	6872	5903	24816	26350	15188	0	31495	26894	15952	9628	8388	7879	8842	26775	42555	27874	13891	27902	14590	6720	90572	92744	131532	3782	2473	2977	3303	3881	0	6730	23192	37789	19382	29145	5982	30684	40844	17883	21352	11073	12218	7347	10646	11872	14129	46333	60146	0	24492	20404	30307	31910	36356	10018	6000	8246	22516	10277	26090	0	9070	35200	Phytochemical	0.3478261	0.8695652	0.0
26	C23 H20 O8	425.1231	425.12347	-0.14768523	425.12302	8218	11559	12791	10493	11959	7469	0	0	18584	29420	16054	0	21080	6140	0	0	0	17576	14647	14903	27021	19801	6826	0	0	31970	0	15392	0	0	2949	0	1521	0	37642	0	2788	3750	3290	15812	19632	0	0	0	0	14674	24291	0	2728	0	11208	9805	13343	0	16309	10902	6017	3181	4088	0	0	10482	25182	11784	4410	16268	8792	3802	42265	47433	66462	0	0	0	0	0	0	2802	12062	14928	9401	13718	4158	14208	24876	10849	8131	4763	5492	3078	3303	6460	0	26774	31688	0	9628	10345	14387	19193	16913	0	4280	0	6293	2626	10066	0	3435	18038	Phytochemical	0.3478261	0.8695652	0.0
22	C19 H24 O7 N2 S1	425.1377	425.1389	0.71612424	425.138	75345	73471	68661	73003	66087	72560	35058	64409	89182	145425	66417	40328	99104	42732	70229	60004	27860	114216	86004	111778	118789	71356	73112	71273	50586	102867	30608	43647	68517	52400	57135	61184	65371	62477	134171	62663	70121	50857	31588	88996	64101	37612	3402	0	1193	93934	89001	0	64301	61387	77270	69025	60661	1676	100083	64117	40322	58324	60390	31272	58478	70048	102236	79736	36378	73879	47203	31539	74869	140494	93800	66837	61209	57866	35125	57699	1886	57905	74203	36026	61134	60215	36900	49360	70559	54911	54027	36686	47715	34016	42116	60348	68333	46824	63060	0	60195	74083	58117	72414	70559	55259	46304	65455	66955	64434	60582	0	44070	124719	Organosulfur	0.36842105	1.2631578	0.10526316
16	C24 H24 O5 S1	425.14172	425.1421	-0.37001747	425.14157	21008	15928	10624	15796	20115	16208	17218	14868	11892	16178	11503	13014	10634	6743	11964	17866	9052	20786	15418	16085	12260	23910	14792	21364	17269	0	15847	0	20508	19978	10958	12206	28902	18592	20508	12240	23476	15300	15790	26414	14234	10610	0	0	0	15100	10422	0	20650	10892	15038	11418	10922	0	18637	9716	8166	23684	11290	6250	0	15100	11964	9786	9190	9130	12725	9792	0	15496	8700	11888	13104	9480	21240	10902	0	8244	12706	16146	11767	13878	15897	13806	14523	8660	16771	13538	11780	0	20668	48288	0	12156	20554	0	14358	11312	9788	8864	8244	26214	11710	15870	0	0	16052	0	14909	19670	Organosulfur	0.20833333	1.0	0.0
10	C24 H24 O5 S1	425.14172	425.1422	-0.18579516	425.14163	0	3056	1821	0	1232	0	2472	1413	0	2492	0	1628	1603	0	1964	0	0	1780	0	0	0	2648	1232	0	2105	0	1583	0	0	2432	2660	2669	0	2111	3382	2449	0	2912	1541	0	0	2088	0	0	0	0	0	0	0	2795	0	2566	2559	0	2351	2120	2079	2555	8244	0	0	0	0	3595	2359	0	0	1293	0	0	0	2418	1580	1677	33845	3089	0	1810	2815	0	3405	0	3211	1608	1446	3986	1984	0	1368	0	0	0	0	0	0	0	2871	2475	3220	0	1805	0	2746	0	0	2366	1065	0	2205	0	Organosulfur	0.20833333	1.0	0.0
24	C20 H24 O10	425.14423	425.14474	0.07138481	425.14426	22583	21346	22048	28875	18488	21246	5761	25180	25400	44720	17134	12244	43514	8188	23568	19936	10784	38229	29149	40705	34708	21380	27224	24174	13673	22151	8138	10982	16587	15246	16921	16408	23287	15754	43007	14388	23205	13951	11183	25025	13796	8586	2208	0	0	27350	28186	0	20777	15140	22537	24685	17337	0	35151	26181	10186	19845	17964	8974	16136	22395	31226	27278	10800	25809	14409	10505	17873	38372	28228	18796	15786	16327	10895	17417	0	15524	20797	7418	18811	21744	12835	16244	24254	13283	16204	9230	11992	8822	19283	18503	24819	12315	22428	0	26459	21737	16921	21861	25194	16673	15105	19617	22778	18452	16354	0	14585	41166	Phytochemical	0.5	1.2	0.0
6	C20 H24 O10	425.14423	425.1449	-0.03233044	425.1442	18162	38174	34468	32234	18658	16664	11860	19975	26100	25932	39126	24470	26424	5302	27432	38366	37422	10506	34284	43506	52164	41752	26954	23951	5776	10536	11076	10297	27298	16453	31280	37480	29264	14058	48054	19412	13104	26312	23061	25114	41538	20924	0	301	408	17064	27417	261	34876	39056	19176	35942	9185	364	29234	11346	7935	18601	25242	37262	15417	28692	13568	29730	14554	10370	9360	23863	14709	15105	24975	28658	16502	18906	8126	36282	255	21954	33014	5418	22456	21802	24170	9206	27698	8279	14316	9202	21036	36772	6683	10724	28232	20412	13479	0	26984	18420	20204	20070	28638	36040	13051	37950	12290	16831	25548	308	21730	27476	Phytochemical	0.5	1.2	0.0
10	C20 H24 O10	425.14423	425.1448	-0.022834629	425.14423	207639	380858	195059	342854	204638	92677	250406	382062	279250	751346	443254	275058	286168	70640	262076	367950	145482	155594	175073	324596	675644	419374	288580	405532	83209	200835	283648	140077	153543	351212	319648	189073	376194	313498	840298	324006	176395	297666	346182	470976	248104	88888	4074	822	728	410004	500304	490	356350	356896	384894	397710	96269	1159	367990	207390	73827	358820	172446	333562	223652	309102	291670	258864	147928	250710	204376	354742	248911	513642	292778	348402	329558	332458	121074	332322	624	244364	371162	109768	329446	153458	258064	258084	285094	173118	288926	160682	95324	305774	118189	257130	355904	285796	397902	1776	385986	397382	250410	224282	209096	307038	247792	206064	178074	284162	221246	597	211654	339884	Phytochemical	0.5	1.2	0.0
8	C20 H24 O10	425.14423	425.145	-0.034935962	425.1442	69671	69933	105538	132322	33774	27703	35170	135942	106960	225660	137524	47270	48030	22722	90120	145710	118272	43383	119604	207988	202674	70246	113272	156474	52240	85840	43538	45068	52687	116008	111236	131004	46875	105410	247814	112994	108598	49352	144686	70994	171536	32082	1243	453	554	128212	96818	0	136352	123198	64789	129542	70330	498	120278	78526	59382	60239	48859	125826	62376	112998	109514	103310	30899	70454	65484	140828	68630	69564	106764	119644	108482	122000	63996	113910	226	42493	126662	32450	96948	104882	83158	43168	51073	26538	51657	56162	36357	125024	22640	47960	62685	111818	59734	853	139524	70687	48088	88456	43967	62981	87272	78163	60565	98624	40048	0	40902	52329	Phytochemical	0.5	1.2	0.0
26	C20 H24 O10	425.14423	425.14478	0.11756265	425.1443	8654	9998	8925	8800	7804	12575	2503	9208	10637	21092	8714	5735	17101	2931	11763	5513	0	16437	10660	21699	20323	10992	10982	10228	6840	0	3104	5751	7998	5911	6976	5565	7657	8083	21917	7117	8970	5878	4341	11295	7614	0	0	0	0	15772	12395	0	8885	0	9061	8506	6943	0	13613	10956	3954	7798	5774	0	10450	9615	14596	9153	4884	9772	6082	4778	8684	18247	10155	9287	7941	8159	0	7019	0	6000	8664	0	11163	7520	6117	9979	8014	8727	6311	5581	7315	1660	11702	13911	12006	7088	9904	0	9737	11703	7263	6437	5674	6149	5554	7261	9955	7713	0	0	5229	18560	Phytochemical	0.5	1.2	0.0
10	C19 H24 O9 N2	425.15546	425.15604	-0.08120252	425.15543	215142	200637	205630	184863	88642	91194	144467	273436	129000	284635	145384	158220	133482	48047	194307	226906	162204	165241	182340	282982	255546	335236	194244	266080	129418	45385	135753	99790	232738	226393	222737	249592	284811	206941	337929	224047	284661	178051	186104	299338	217148	111499	2388	0	0	252843	231850	0	244738	219250	218487	224836	106767	0	188604	76947	82161	231622	299286	169142	253533	199762	145996	141546	80232	126995	123508	216864	74571	112351	97590	258797	220983	228240	145046	211080	0	163070	161138	125983	146996	156680	162352	114937	100560	90248	147145	110020	135742	194691	172857	258999	346397	179193	222904	776	208786	219351	81537	76192	71767	255929	157020	283845	184646	223554	78918	0	138729	184717	Phytochemical	0.47368422	1.2631578	0.10526316
6	C19 H24 O9 N2	425.15546	425.15616	-0.065911815	425.15543	73872	74731	63578	67944	31638	27114	34933	79308	46721	92594	62042	49516	57294	15708	49937	78194	65135	56571	69017	78082	95746	110572	54201	83388	25564	9513	34405	28887	59618	58536	71080	75703	87941	56585	120946	63481	78327	46618	90626	66690	110005	39501	0	0	0	76650	112915	0	81246	63310	68616	72009	38582	0	59410	32853	29591	79217	62903	79429	72528	55892	72035	53248	23725	52597	45743	101143	20667	24682	32564	66607	63747	59479	38749	56287	0	43014	52153	47778	44629	42684	40742	30843	40904	37474	47237	48592	46401	94627	47410	76863	103809	64760	76894	0	69883	67971	27144	37805	39111	76428	47088	85797	67732	78041	32545	0	35345	84060	Phytochemical	0.47368422	1.2631578	0.10526316
16	C19 H24 O9 N2	425.15546	425.15598	-0.09535944	425.15543	83179	70309	79371	81526	42120	60913	71038	110851	57085	76107	41470	52900	59076	24711	99461	91213	52607	86908	94717	92794	75435	122910	90880	107493	85284	16382	58140	34682	97924	88486	95076	98629	109108	78785	108206	93865	118435	74814	54988	96045	50014	45439	1304	0	0	74065	59928	0	102925	89770	76335	81522	54154	463	72363	29808	41474	98247	112775	46464	105963	57232	61876	60051	33018	62716	57041	53727	19297	35248	27971	93162	92129	90998	53874	80114	0	69849	68583	43670	57527	52122	65984	50758	37163	44593	61927	51708	59167	72239	88941	131741	180841	48464	66847	483	78163	85038	37419	28507	28574	100737	59650	84382	50129	123391	40438	0	75242	90530	Phytochemical	0.47368422	1.2631578	0.10526316
18	C19 H24 O9 N2	425.15546	425.15598	-0.03208885	425.15546	64218	61070	56454	49132	41788	36872	48434	79310	48400	67050	26736	43450	66148	19896	81100	71064	44970	64616	66192	50880	40632	75454	71952	76616	71456	15934	43160	23946	67226	65468	69278	52764	75976	57476	73944	61518	98990	59634	44904	60842	41738	41322	0	0	0	50202	42996	0	61690	51928	57844	63082	46192	0	72942	27204	29140	72816	61882	29054	69100	39608	46776	43426	23130	37554	35654	43968	17042	21768	18266	70868	56902	60114	32846	63676	0	54826	52506	28376	44530	37586	41730	32838	26932	34208	42426	35592	39924	46636	61830	92330	135676	30162	39322	0	51654	57400	30226	23804	20368	74400	43344	64702	31300	72226	21360	0	52114	66436	Phytochemical	0.47368422	1.2631578	0.10526316
4	C19 H24 O9 N2	425.15546	425.15622	-0.06348549	425.15543	16273	22356	18276	18651	11319	8609	8737	20562	14546	18650	16517	12733	23893	4330	11409	17538	22262	14813	18254	17315	20099	31026	14647	23805	7387	3556	10243	6337	13834	13147	15169	13874	20461	11329	26934	15769	20211	10698	29733	17041	29437	11514	0	0	0	16771	29459	0	18495	16456	19251	15545	12483	0	20103	14659	7667	17558	14561	20235	21163	13219	28323	17538	10255	16475	11511	23796	6357	5706	7544	15184	13576	11811	6823	12390	0	10022	14192	9456	13059	12817	9410	6855	20814	9544	13068	11963	14086	24181	14282	17759	31613	16256	17224	0	15643	18825	11042	19661	14301	18499	11908	22811	14788	19562	11997	0	8111	23607	Phytochemical	0.47368422	1.2631578	0.10526316
8	C19 H24 O9 N2	425.15546	425.1561	-0.06731753	425.15543	152210	150201	124815	144774	56376	76030	85277	164023	91202	178854	100893	120598	99933	35493	116746	157126	126735	104456	139772	178825	187553	252355	126740	173619	73515	21965	83855	75747	143519	139530	143108	164664	168393	137845	234370	133391	178017	102886	164687	187565	199132	72012	1044	0	0	182865	203543	0	163088	153763	140194	152457	71142	0	123403	54420	55912	142950	153224	136937	182817	138907	123542	103330	58052	102877	84943	155320	57726	57014	77035	163562	133001	133705	94159	138727	0	105540	113630	86045	93104	102950	106491	75480	69761	58475	96554	84124	98951	179981	113778	180665	246921	136755	161985	0	151023	154123	52976	65382	59611	163013	98095	196591	126042	158096	59825	0	87364	127145	Phytochemical	0.47368422	1.2631578	0.10526316
14	C19 H24 O9 N2	425.15546	425.156	-0.121648446	425.1554	172609	153724	149390	158557	79901	107443	143362	219849	104915	183107	97866	116860	125477	46628	172668	171360	127213	156862	144915	200817	172834	269206	156370	209994	152916	37126	96756	69689	190308	177001	188139	199973	244783	152575	245220	164383	218948	156245	123010	196914	122601	94754	0	0	0	188214	140829	0	193798	172349	152104	143433	100261	518	159264	62688	74724	191113	301497	99226	240154	166915	129389	127251	63379	113462	98324	105681	48340	94604	63821	187929	162180	182031	105390	158594	0	151823	127829	91954	107169	106030	138344	95502	74723	86561	120074	96234	125825	150525	172950	244554	319075	128014	143493	0	174886	165149	67648	53108	56362	199300	124099	213197	156085	194562	61453	0	113982	157319	Phytochemical	0.47368422	1.2631578	0.10526316
28	C24 H24 O7	425.1595	425.15994	-0.12720162	425.15942	9410	7940	9227	8048	10317	5362	1641	3309	10109	18141	15193	2767	16600	6643	4471	5727	5115	9160	11470	16733	17778	7440	6818	7156	3828	34392	2037	13859	3853	2555	2470	2861	4268	3751	20476	5021	3599	3566	3734	12842	17006	5169	0	0	0	8745	9158	0	4228	4224	10013	9059	8622	0	10069	11666	3409	5948	2755	2997	6020	7955	12748	7804	4321	16501	6445	4561	38169	40006	58692	3127	1893	0	2599	3246	0	2887	7727	11659	6995	5539	3199	11195	14572	7416	12095	5289	4580	6215	5752	8350	6863	10769	12592	0	10970	5429	8621	16479	15110	4749	3061	4166	5221	4953	8207	0	3944	11250	Phytochemical	0.29166666	1.0	0.0
22	C24 H24 O7	425.1595	425.15997	-0.072373934	425.15945	119891	125193	108333	115647	124045	80417	39068	69029	126306	301360	257889	43965	121616	93284	63097	67407	46593	131216	121436	274713	311467	135554	77660	84971	56650	575240	36921	230704	53153	49953	49488	58174	66755	55675	355551	50502	71060	54917	46309	198945	194069	64001	6315	0	752	145264	150929	0	51400	53258	121065	115834	92087	1106	109769	106136	71975	71424	64440	55539	71874	156306	149154	100635	56915	127946	85613	52733	513630	609113	697827	57044	44127	36616	30754	51434	972	51006	113911	98914	87271	100858	51657	160377	135582	76109	101249	68820	69861	74964	87421	97515	105100	135477	147010	0	127637	116190	114375	123287	107021	64840	47601	79154	97826	68621	105231	0	55186	142034	Phytochemical	0.29166666	1.0	0.0
24	C24 H24 O7	425.1595	425.1599	-0.12264263	425.15942	62494	63455	60569	67015	71104	43012	12915	30753	69447	145090	131280	18936	97702	44452	32467	31877	23051	68947	76233	145905	136182	72931	39012	42141	21717	272339	18779	108205	24697	19286	20479	23391	32601	24045	171127	22861	33015	23699	24528	103139	106642	30310	4187	0	0	86727	79091	0	27819	23543	62729	55362	47233	0	58646	61040	31547	28134	24905	18674	34834	80863	84819	51388	30220	74718	43625	21128	260444	248951	328178	23497	17503	13676	10952	20817	0	20774	53271	53786	45732	59684	22962	88879	77660	38091	54711	29181	32822	33443	35788	40829	50540	65528	75192	0	62192	64579	57974	64827	74693	31069	14919	39380	54329	29474	59433	0	26599	74082	Phytochemical	0.29166666	1.0	0.0
18	C24 H24 O7	425.1595	425.16	-0.047958452	425.15945	111152	111444	109990	91567	85868	55514	56218	78104	88885	218897	164838	47123	98384	67677	65316	82659	61089	90269	111635	213577	207913	112256	71667	93655	62588	389492	53278	140516	71637	59193	67651	72741	84700	56165	196638	67463	68236	54208	62123	159656	156072	57262	2782	318	426	90821	119612	587	75622	64586	99067	102563	69415	434	86989	77914	51975	90516	60845	62130	84974	98010	100339	75936	46057	98560	64961	68901	306590	399495	517213	63356	57745	57537	62977	78427	414	51175	108561	86938	83887	83760	57431	116156	102913	61986	92302	59365	65548	76210	82098	80021	99178	78732	122635	1163	110392	87847	87764	74154	74985	67681	49033	81747	62703	60513	66857	0	74138	92318	Phytochemical	0.29166666	1.0	0.0
14	C24 H24 O7	425.1595	425.16	-0.17551026	425.1594	32976	25924	21977	26153	16919	10987	23902	26523	19648	41934	32103	21051	16172	14315	21039	29567	26784	12071	22676	36864	44321	30180	22293	35592	16354	64189	21759	24553	17431	23620	21226	30960	20286	18286	47031	23028	20866	21211	26568	32085	36011	15172	0	0	0	22882	40287	0	24283	23504	31541	26902	14112	0	14160	15183	11100	29134	31874	35359	29607	20088	17315	18098	10403	16939	12962	28771	51240	65365	97016	18184	21206	20153	23582	27567	0	18650	30256	0	25515	20017	23248	33396	20480	14118	28463	11448	11682	41685	30137	23161	30769	19611	23794	0	29440	26844	18251	21550	15534	23160	16495	28668	24207	24863	16726	0	21524	16997	Phytochemical	0.29166666	1.0	0.0
26	C24 H24 O7	425.1595	425.15994	-0.11232777	425.15942	24664	18856	19435	17522	27140	14111	4261	9039	25977	46265	35432	6247	27842	20357	7847	10219	10121	24246	25474	47395	57305	24967	11053	13861	5859	95606	4160	36189	7820	6380	9828	6225	10983	6547	52975	7960	12519	5760	9329	31993	44060	8254	0	0	0	21784	30014	0	8469	8058	22910	23174	16716	0	22250	28361	12608	9241	5640	7931	14187	23135	33500	22012	8970	32414	14523	10035	99840	100585	137167	9892	7531	0	0	7540	0	5842	18538	19648	20332	18137	9833	28683	37452	10539	19484	11516	14610	15283	13417	14761	14855	29586	29128	0	22607	23338	21228	33798	29455	11868	7713	12325	17934	11548	23685	0	10292	29728	Phytochemical	0.29166666	1.0	0.0
16	C24 H24 O7	425.1595	425.15997	-0.12528598	425.15942	59273	65081	57202	62166	43081	25631	34219	49819	42160	95314	72111	33864	42782	31115	33670	52666	44784	39300	59137	111759	103649	66331	54020	53665	34916	174322	39158	68957	32721	39182	44200	49397	46370	32758	103220	45443	46849	35773	50089	66803	86081	23425	1108	0	0	45213	70446	0	54823	43158	58614	64691	40185	276	40549	36911	27663	54739	41251	41761	58148	44285	49063	32924	22627	53884	36113	43957	145048	186433	211776	40470	44268	41197	44355	41164	0	34159	62867	43000	41216	45435	44307	65541	51089	30281	53004	27279	38003	52703	45617	50194	59510	45687	59588	823	62463	62610	42448	44656	46612	46877	28961	54816	38121	47039	37075	564	46545	40128	Phytochemical	0.29166666	1.0	0.0
24	C21 H28 O7 S1	425.16284	425.1633	0.0492363	425.16287	15540	16926	16522	14585	14228	22630	4292	17132	14150	45461	12088	3220	17711	3327	7877	10783	7522	17001	16151	45018	58472	30247	6603	10364	9732	25736	3541	11382	8781	4718	11666	7568	8310	7213	43830	5222	14979	4668	20282	28223	16589	5447	0	0	0	21944	27362	0	10801	6673	33548	14055	7395	0	12857	9767	6284	13407	16091	7260	10410	24545	7955	7830	4844	12408	10686	6285	14691	37095	41362	5708	3566	4119	7079	5818	0	3724	14806	10978	4043	12432	11678	21219	7233	5827	9491	8897	8093	12015	45344	37518	38512	19657	30113	0	24348	27028	7839	11306	9410	10862	3950	15407	14011	16428	7092	0	16432	35666	Organosulfur	0.33333334	1.3333334	0.0
8	C18 H24 O8 N4	425.1667	425.16733	-0.13522917	425.16663	10822	11866	10703	8475	4252	3383	7948	11791	4571	5493	3593	6560	6782	1624	14479	17350	10973	6223	9888	7158	7711	16748	9091	13991	8277	0	7694	4196	13762	8972	11417	9634	11431	11088	6114	10352	14728	10388	13189	6186	6676	5601	0	0	0	6854	6530	0	12598	12207	11848	13934	6864	0	7826	3336	5256	16811	8542	8285	16624	4176	7722	6795	5753	7380	8044	14766	0	0	0	11590	9202	8964	8117	12257	0	8055	10486	3853	9116	4107	7126	2358	6357	5182	11411	7322	6508	25480	15654	17823	36451	4688	4494	0	11327	10349	3079	2774	2953	11130	8679	14190	0	12536	4658	0	8688	9660	Peptide	0.44444445	1.3333334	0.22222222
4	C18 H24 O8 N4	425.1667	425.16742	-0.106386214	425.16666	5480	4062	4689	4438	1999	2800	3176	5219	3513	0	3038	2870	3891	1590	4745	6286	8302	3709	4105	3021	2932	7524	5152	6294	3565	0	3248	0	3676	2910	4614	3970	6784	3147	3216	5199	6578	3880	9605	2241	3787	2674	0	0	0	3564	4359	0	5382	5026	4637	4823	2708	0	5900	2856	1951	5545	3786	4108	7397	2328	3832	3549	2580	3483	3355	7260	0	0	0	3603	3462	3463	2420	3514	0	3661	5645	27763	2841	1957	2559	1199	3529	3690	5170	3555	4141	10307	7923	7360	12636	4183	3760	0	4613	5667	2743	2469	2939	5696	3181	6133	0	7120	2612	0	3997	6035	Peptide	0.44444445	1.3333334	0.22222222
6	C18 H24 O8 N4	425.1667	425.16733	-0.122500144	425.16663	11324	9287	11638	9918	6576	6672	6482	13795	7664	6346	3807	9132	7303	2356	11220	11937	13362	9069	11747	6387	7858	16567	10781	16071	7791	0	6353	3394	9870	10360	10472	13224	12118	9836	8131	10122	13578	10268	12188	6844	7796	5052	0	0	0	9632	10226	0	15324	11313	11464	12067	5103	0	9674	3246	5381	15371	8910	8270	16629	5519	11412	7261	6072	6104	10102	16327	0	2199	0	11138	9556	9616	7628	8584	0	6741	9437	11629	8364	4987	6155	3947	5908	4575	13128	7914	7892	23387	13020	19511	32558	7811	6163	0	12712	10008	2905	3824	3751	13150	9329	10446	0	15264	4201	0	8670	10303	Peptide	0.44444445	1.3333334	0.22222222
16	C18 H29 O6 N2 S1 Na1	425.1717	425.1724	-0.41683096	425.1715	59564	69384	76336	53640	40508	40340	38298	60143	38528	114282	77240	35748	44640	34988	55336	82202	58599	61256	72592	151463	164016	76208	59386	65044	45549	145392	32848	87604	64104	59354	42787	51672	61908	55829	110856	48814	64780	48417	60068	111636	147264	34704	2296	0	0	65264	102040	0	65133	65138	70992	64316	39016	0	57841	34276	30372	64520	52580	55552	57644	73060	50358	42707	21236	45224	34740	56859	108652	178248	184056	54759	48684	56219	41408	51660	0	42009	62984	57880	42628	51920	43436	93844	38910	25256	41104	32155	46288	0	71092	71168	0	58260	92740	0	59896	67760	33796	34464	35248	66953	36504	56536	50476	51988	36036	0	45582	43911	Organosulfur	0.33333334	1.6111112	0.11111111
20	C26 H25 O4 Na1	425.17233	425.1727	-0.52560973	425.17212	60847	45475	57600	47885	50673	37325	28236	57722	32965	101465	113880	44481	61307	45755	43185	28600	33220	68869	43165	101055	114321	95220	39765	72960	44561	156305	34115	94460	58235	46995	67030	47609	80251	80641	116410	45939	65160	36533	53190	102777	109320	39578	0	0	0	57758	93340	0	55744	30065	45800	68657	42390	0	47398	27522	20984	69565	50726	50173	55896	58529	44374	38266	24535	32645	44590	55618	114909	145394	142150	137918	47406	94374	42483	44120	0	41323	42216	74507	34245	54883	44548	79210	25714	30044	66114	89120	40806	90583	46276	68538	93183	100375	62578	0	61160	49995	33562	34300	27030	65130	2665	57095	42583	51435	31385	0	29635	31379	Phytochemical	0.15384616	0.96153843	0.0
10	C21 H28 O9	425.1806	425.18115	-0.15876128	425.18054	428550	484680	221265	400422	200292	175092	208161	592458	255498	266766	347067	328158	128286	66546	361344	534078	434028	118215	196407	310383	586056	244980	194241	588198	298188	213045	222429	130707	441930	438504	199392	262218	235635	177636	270975	260514	234312	340782	245202	356424	422154	122493	6627	1464	2274	479586	449742	0	272607	479514	208158	239058	106734	1467	180237	109860	171453	572580	450084	406350	280716	139473	120102	283722	79350	244488	213072	271331	200274	244446	251982	435354	205059	528228	200931	223557	0	308736	256083	140466	376152	336342	406152	265650	151251	100371	224343	167532	109944	436314	135531	404010	285843	126078	211368	4401	213747	467532	109905	116991	135507	235629	292560	589728	136209	385524	129279	0	326850	225774	Lipid	0.42857143	1.3333334	0.0
14	C21 H28 O9	425.1806	425.18118	-0.09223172	425.18057	1079654	961720	972126	1021436	511202	513132	830518	1193606	699090	1431586	882926	359572	667696	169484	965232	1118392	841084	780146	445407	1499218	1372052	1053970	913218	1261536	843830	478798	670466	427485	1033986	1067712	990656	631800	1081638	832078	1539630	1061426	1061512	826458	872158	965020	445307	567060	10014	1682	1289	939258	412019	1891	1080330	1035270	479490	471282	541816	1964	897534	517852	453580	1140496	1125650	386805	641116	662680	799682	743322	401920	633428	566538	865800	451843	1326306	1093902	976512	936840	1142546	824256	1007048	957	767794	1020334	292275	915472	329044	815000	647668	324059	252185	881004	511078	586164	513526	806320	838156	1261624	283628	744298	5006	1030996	992848	512428	270697	286569	1062256	744050	1287322	362417	943540	539334	1061	788280	711834	Lipid	0.42857143	1.3333334	0.0
26	C21 H28 O9	425.1806	425.18112	-0.049883697	425.18057	19361	17892	17633	19596	15865	17539	6448	24081	18911	38539	9483	15847	28480	10586	21365	23008	8795	26311	29112	32043	31574	18032	15811	19713	10256	9995	4929	13403	21358	16079	17318	18037	22054	16141	33816	21207	26145	13970	9775	19050	12972	8839	0	0	0	15048	9377	0	19382	16978	19713	16543	14647	0	26679	9866	10073	21101	14470	7049	20034	12621	26248	20224	6108	20005	14568	8054	13184	33999	20270	21935	20406	14290	15111	17459	0	16508	16559	7780	13675	11514	11698	10827	12456	10536	12491	7862	13392	8691	16353	18371	22925	4027	12729	0	21757	19417	7742	12064	8416	19545	13285	19820	11090	15144	9556	0	8482	28335	Lipid	0.42857143	1.3333334	0.0
24	C21 H28 O9	425.1806	425.18106	-0.06392288	425.18057	59164	49865	51818	55782	43058	44156	27485	58453	50469	107902	31614	33386	87153	24155	51732	49280	20593	78758	71900	92334	91490	47059	51535	63572	46529	39533	20583	25975	58779	43872	56789	52220	54804	49693	104726	57659	73277	36895	27387	57549	32198	25063	2407	0	0	53593	31896	0	52144	48748	48135	51243	37356	0	83108	37894	29612	54160	47005	18412	59321	38157	76552	60629	20271	61335	33076	22571	40055	100525	58247	56841	52515	56013	36868	46326	0	50806	57743	18533	50949	27733	37336	29964	46586	31157	47397	25563	38982	24155	52339	50207	74655	30690	49049	0	52674	58117	30428	39600	41204	52201	35836	56623	32922	46856	29806	0	35290	87669	Lipid	0.42857143	1.3333334	0.0
8	C21 H28 O9	425.1806	425.1813	-0.1256803	425.18054	95316	94545	73692	90753	34500	22452	52324	118264	27740	52122	51752	71407	24276	17704	87408	57967	52308	16062	41082	108465	85980	90760	41156	113612	60534	61548	82390	18144	49149	55912	88804	50366	75120	66636	55056	48290	45268	65012	139752	46402	95688	41980	0	634	940	55456	51408	716	69529	114844	92119	48926	20576	970	73221	43160	19726	86684	87156	91132	63262	56804	30556	30138	19390	37308	41996	120883	41520	74176	44302	44200	87528	59002	84982	101620	722	36502	56894	0	77893	74796	84676	25614	33540	14688	47253	17949	22378	114570	28354	40754	58918	27446	72052	1008	106124	95452	26270	56923	28814	93048	36838	126080	26358	79328	19776	626	35119	30594	Lipid	0.42857143	1.3333334	0.0
12	C20 H28 O8 N2	425.19183	425.19238	-0.18480162	425.19177	87342	74662	74968	81036	33576	35171	87657	129175	40548	100596	47410	51969	39536	13266	90560	94363	64479	58322	73313	126647	95755	154181	80886	120117	88874	19573	47964	43653	107317	81041	101399	104575	127033	90987	134164	98518	113472	74715	75596	118943	56542	42139	1086	0	0	117112	66751	0	105886	85196	90159	78266	43379	0	58796	21228	30400	110309	128415	55812	84908	74628	37300	36293	22798	48624	43243	74613	20655	52436	31797	108495	87696	99724	50409	85519	0	74493	63422	60088	58569	57880	86122	54144	24660	33716	69571	37961	50383	108237	112758	144292	167644	57187	81517	0	86830	94205	23178	21840	19413	100616	64056	122858	48482	104602	27974	0	72873	53452	Lipid	0.4	1.4	0.1
20	C20 H28 O8 N2	425.19183	425.19244	0.12941681	425.1919	9962	7269	8333	5560	5549	6119	6414	9835	6362	9318	4948	6010	7282	3654	9775	14116	9214	7623	12359	10590	5213	9272	9993	13952	11067	0	6001	3718	11866	10991	10007	6397	13567	9275	8003	12719	12408	7020	5339	9595	6080	8159	0	0	0	9580	2936	0	11755	7751	9984	10293	5167	0	9180	2830	2978	11431	10918	7959	10702	5008	4564	5139	2270	8699	4557	6904	3036	0	5344	8865	12608	9399	7475	8274	0	7490	5778	1861	4348	2535	5878	0	8519	4430	7733	6456	7443	8270	12187	14202	20600	6186	3827	0	6626	10708	3213	1796	2814	14894	5645	9524	3272	11036	3382	0	8397	7243	Lipid	0.4	1.4	0.1
6	C20 H28 O8 N2	425.19183	425.1925	-0.13780516	425.19177	47767	49918	47375	47782	23681	22626	32496	72429	24708	56902	21900	29719	33840	14153	42814	62619	36938	36076	43199	55251	56748	74749	36751	74976	37973	8083	25984	16894	58219	48880	56210	58446	67882	47324	69222	55875	62066	31081	51206	47506	35225	23135	0	0	0	53233	37681	0	66271	48546	47976	46875	23055	0	41974	14643	14075	63598	35319	21451	65262	25177	32768	28783	10864	32760	32238	49675	11272	23597	16651	51085	46574	52686	24369	42440	0	35143	33226	18580	26175	20839	28416	21616	17266	21580	35257	24283	32277	58858	63010	146594	102275	30008	44164	0	49513	48351	12259	15374	17989	64659	28646	57230	24939	56791	17504	0	28831	38655	Lipid	0.4	1.4	0.1
16	C20 H28 O8 N2	425.19183	425.19232	-0.2211176	425.19174	64826	62037	71571	70718	30033	42979	50651	104943	36301	65056	25081	40044	46286	19015	84888	78534	40137	56579	68096	86279	59050	85608	57557	105509	90387	14420	44135	31326	97902	88010	85741	87473	113420	73534	79839	82722	110729	53680	45229	81805	31184	41426	815	0	0	67536	30178	0	88972	75677	71355	65237	42116	276	50796	20049	28659	88294	104053	34852	90641	47172	35402	32155	21551	46587	40320	40297	16353	39683	21072	87110	78190	88378	44265	69781	0	57142	49661	31066	40648	33630	62434	40351	19862	29440	49683	37353	43594	58895	102311	132494	148229	29870	55548	0	55356	74610	21689	18793	22391	93195	45743	83455	33765	103611	24348	0	57191	50776	Lipid	0.4	1.4	0.1
10	C20 H28 O8 N2	425.19183	425.1924	-0.16828781	425.19177	75331	63763	67729	64253	24003	37860	0	96347	34239	78508	35715	48864	40019	16779	65467	77798	50122	40500	56601	98356	79632	114277	63752	99799	64797	15954	0	35974	85549	82764	73581	88050	109075	70441	122371	81404	101717	54518	60930	105128	67528	31317	548	0	0	80241	54852	0	0	73057	68994	65972	34875	0	53869	21625	22786	91499	80835	49457	84114	56757	36139	35120	22612	37526	35731	59472	18886	44381	27333	86586	0	82235	46799	67021	0	50448	56065	36138	47621	47315	63487	44963	22602	26368	51044	37962	44078	75650	97405	112818	134779	46206	80780	0	74035	79498	19888	18769	19219	78380	46616	104119	36224	80760	24002	0	51674	44449	Lipid	0.4	1.4	0.1
4	C20 H28 O8 N2	425.19183	425.19257	-0.117884696	425.1918	18675	17082	17607	18292	9365	9874	8411	22187	11922	15266	6799	10117	16772	4773	16271	21257	13660	14964	16529	18689	19593	29253	15724	20774	13112	4702	10282	8166	19974	14288	17779	18824	21492	15115	26767	18750	19126	13930	18436	17524	14205	10696	0	0	0	19017	20740	0	18847	16661	17450	16166	9767	0	21741	9461	5858	16996	16375	10225	22440	12926	16916	13009	3996	15438	10676	14154	5627	9588	7863	18088	13807	17234	7126	11888	0	13632	14284	9780	12252	10159	12338	8665	10895	7927	10639	9558	13144	19091	21030	31863	30823	12685	19406	0	16340	20329	8265	9712	10316	17942	12129	28931	12009	16897	8718	0	10419	17156	Lipid	0.4	1.4	0.1
18	C25 H28 O6	425.19586	425.19632	-0.17020012	425.1958	124578	133113	116012	101560	87331	60304	97528	116384	86238	142805	120240	81697	92074	67163	102549	144938	120092	81866	117424	186531	161644	114952	98906	122710	84623	310425	86261	108803	94048	102845	98736	112654	130981	88976	136448	100191	105079	88132	131340	121420	160998	69880	2476	333	481	94437	110970	526	108592	105915	114621	116683	84858	455	90258	82944	68347	117147	79870	106173	120094	82785	95750	72536	49333	90801	73991	138603	217223	274198	410734	79934	74284	102846	120188	107086	311	68610	156952	88606	127470	76955	92829	105056	112842	74205	139999	76324	70433	150656	120236	110177	149401	83489	104676	606	124927	111364	86050	101850	88775	120994	78373	118809	55702	97274	79560	465	113817	85209	Phytochemical	0.24	1.12	0.0
26	C25 H28 O6	425.19586	425.19635	-0.11875262	425.1958	64708	61858	58126	56318	62983	36741	18401	51314	55898	89049	106272	27172	70234	42225	37678	53376	33518	65881	74538	119388	132195	56868	40580	56415	34889	257310	17779	101644	49865	36458	40355	36628	51121	40753	122089	46166	54871	32332	38288	96845	105473	43412	0	0	0	67689	65859	0	43749	43732	56073	64441	45579	0	62522	62596	36325	44225	35738	30504	50093	65093	63704	47643	26771	73072	60152	35652	263671	217247	286490	39888	37508	31988	26083	38565	0	29476	62274	52111	42992	46672	36460	81212	74929	35375	57614	40183	36701	39068	45210	42856	61476	54793	68427	0	55449	70413	42917	69724	75941	53151	28124	54531	39208	38297	64091	0	38315	56508	Phytochemical	0.24	1.12	0.0
22	C25 H28 O6	425.19586	425.19635	-0.06441239	425.19583	258889	273152	219932	245642	234566	156601	120249	197474	211836	408603	410644	123155	213653	170182	170528	226528	182500	228348	255691	505600	488004	247162	178781	230157	169610	1097359	123421	375878	187018	166305	173191	195726	205464	166215	450286	177470	231276	164685	171215	372834	402677	156969	7600	0	673	221879	245314	0	191870	193136	244179	246963	204298	1310	211826	202632	141109	211735	146430	145033	235697	246344	227314	181971	116821	243278	187135	180910	856579	1071310	1250855	175838	160292	145091	129599	172761	0	144395	249662	175710	199440	162439	153370	287292	240423	167442	247308	161463	174643	230995	209488	232730	260174	201227	252896	0	230004	250595	188939	217575	203299	224576	134957	226227	155274	202472	209625	0	178393	233914	Phytochemical	0.24	1.12	0.0
28	C25 H28 O6	425.19586	425.19632	-0.10213389	425.19583	15006	15213	14032	14908	16200	7756	5562	12478	14075	19372	19227	5893	21426	12317	9087	12257	9308	15412	23031	21914	22387	13129	10177	15094	8254	50362	7245	22160	9863	8667	14688	10354	12898	7360	29670	11125	11484	6707	11418	16935	22970	9222	1590	0	0	11727	13193	0	8657	11350	12735	14523	13371	0	15163	15893	7597	13650	8736	6706	12964	12142	16722	12907	6984	19681	14047	13309	51143	48539	75334	9599	6687	8244	6514	6596	0	6813	16120	13817	10887	9957	8365	16657	15664	8595	19272	9909	9835	13786	11864	11499	16187	12033	15039	0	14864	14618	9711	20781	25757	12368	7693	13102	8197	12194	13018	0	9079	15132	Phytochemical	0.24	1.12	0.0
20	C25 H28 O6	425.19586	425.19632	-0.12161599	425.1958	212537	234053	197461	187954	187204	112427	131282	195377	171720	284251	241988	128151	175426	136740	162649	218070	166936	150009	204377	357201	340312	186070	152767	204643	140826	711286	109362	221518	167769	155207	142041	170292	186540	149252	318066	147063	194033	135879	174142	268349	307139	123008	5695	879	490	182622	203645	929	168792	160836	211085	207149	156564	682	160510	155852	128765	203369	129891	151146	187332	169377	175847	137461	95200	174434	136827	194388	550336	645680	914178	149918	150129	153976	165384	155059	401	124632	239598	142385	173494	122619	144864	216141	188869	123007	232738	142546	129007	242571	202839	198447	248792	153627	178304	1421	208283	205062	167506	165227	177037	183838	124354	206655	122544	182215	155378	957	160810	199093	Phytochemical	0.24	1.12	0.0
14	C25 H28 O6	425.19586	425.19635	-0.2519625	425.19577	20223	25470	19536	23062	9554	4959	19165	30591	10331	16430	14029	15713	7413	6410	14723	26032	31857	5955	14447	20623	21734	21565	18662	34636	17456	25883	19732	8613	17310	18432	20525	26584	22607	11339	15268	18212	18282	20285	25343	20685	28576	14799	0	0	0	22818	18038	0	21856	28281	23295	24344	7137	0	10518	8845	10548	31415	18849	26743	26694	10806	12210	9819	9343	9241	10190	32726	23647	27703	47123	13022	13178	20079	20671	25604	0	15909	31247	0	26570	16276	23471	14323	14299	13106	26927	8867	11469	51620	14095	13448	30540	15113	12144	0	19268	17856	10271	14283	17342	25261	17445	25055	0	16576	11292	0	26799	4434	Phytochemical	0.24	1.12	0.0
24	C25 H28 O6	425.19586	425.19632	-0.07398344	425.19583	186236	176762	167898	174479	169114	116970	65511	129069	151371	305655	334516	78181	194168	108626	98240	145292	97605	158616	225290	377703	372567	159962	123486	157282	104807	827688	60094	320514	111929	108175	107145	110785	135270	108671	367439	119194	156668	87452	95500	282304	293392	106400	6226	0	0	189368	161557	0	122452	110974	171490	164515	141211	0	150716	144659	90454	144543	110753	91195	142430	193739	167147	121070	79744	178458	133424	114300	729224	695782	865269	118636	105047	97145	76457	99092	0	95345	172059	136796	123974	128115	105011	232140	172120	120794	155855	100325	112848	131241	141775	141450	198752	169948	198317	0	179128	173221	125973	151156	158998	141529	74431	160994	121394	128827	132248	0	108044	168747	Phytochemical	0.24	1.12	0.0
6	C19 H28 O7 N4	425.20306	425.20374	-0.11913574	425.20303	11228	9077	8732	10503	3600	4732	9172	12756	2900	3759	2531	7051	4595	2090	10420	12419	7161	4357	7932	5290	3350	10890	7871	12739	10919	0	9523	7660	9667	9505	11478	11899	14683	10575	5689	11592	13885	9243	9974	0	2389	7635	0	0	0	6035	2609	0	11248	13445	9883	9516	3841	0	5122	1769	3488	13128	6145	3253	8468	2456	3945	2991	3310	4964	6464	13350	0	0	0	13296	7601	8734	4861	7986	0	6085	6520	35341	5793	2416	4042	1422	2887	3388	7849	4305	6698	14568	39270	29863	22576	6732	5483	0	9317	8725	2399	2692	2292	11213	7037	8901	0	10326	2209	0	6509	5238	Peptide	0.36842105	1.4736842	0.21052632
8	C19 H28 O7 N4	425.20306	425.20364	-0.11406367	425.20303	7220	9005	6722	7317	2363	4960	4719	8098	4040	0	1966	2728	2936	0	7761	9229	4573	2623	6042	4031	2704	6972	5051	7845	6208	0	4202	4478	6884	5844	5516	7502	9350	5702	5202	6498	9083	5035	7595	3905	1863	4480	0	0	0	4997	3132	0	9802	7810	5784	6199	3116	0	2014	1133	2222	8949	4078	1606	8912	0	2529	1798	2579	3277	3768	6613	0	0	0	7222	6098	4951	3617	6161	0	4687	4971	0	3823	2229	5074	1555	1834	0	6657	3637	3290	12206	20681	15003	15559	0	2582	0	8857	6548	0	1608	0	6616	4091	5701	0	7093	0	0	6047	3418	Peptide	0.36842105	1.4736842	0.21052632
4	C19 H28 O7 N4	425.20306	425.2038	-0.11964902	425.20303	6109	5740	4956	5975	921	4971	4235	5870	2550	2350	2017	3945	3584	1310	6552	7209	8324	4006	4834	2110	2218	6203	6762	5456	4671	0	3836	8453	5175	4023	3924	5516	5177	3185	3559	4556	5539	6602	10284	2069	1220	2958	0	0	0	2639	1974	0	5469	4651	5279	4721	2587	0	4762	1956	3657	6772	4541	1996	6613	1304	2167	2530	4069	3725	2995	15072	0	0	0	3597	2689	3384	2116	2552	0	3550	6194	88495	5685	1788	1454	731	2275	4253	5800	4360	3339	9478	43659	26086	13430	7094	3104	0	4714	5473	3979	2066	1778	7249	5038	3928	0	5481	2017	0	3918	3052	Peptide	0.36842105	1.4736842	0.21052632
2	C19 H28 O7 N4	425.20306	425.20386	-0.07254369	425.20303	5600	9042	6254	5356	4131	14812	16182	8409	9240	1462	6469	27975	3560	4652	21192	1534	30695	6565	7194	1927	3019	5919	15576	5488	4189	0	0	22501	6316	3717	8556	6409	10358	6930	3237	5860	6330	18068	32492	1952	2717	5733	0	0	0	1918	2049	0	5426	3726	4661	6226	5342	0	10609	2353	13347	7130	3041	2202	2187	1627	3214	11382	16657	4604	10284	59237	0	714	1318	6576	5726	4662	667	5537	0	9215	15581	75549	16843	1312	2883	1113	3137	17258	12852	10896	6391	25407	40656	24941	10762	8954	0	0	6426	6039	16999	1737	2056	4221	24969	3211	1399	8885	3963	0	11988	4153	Peptide	0.36842105	1.4736842	0.21052632
12	C22 H32 O8	425.21698	425.21753	-0.18312287	425.21692	23703	34520	26581	31623	13284	10626	38244	33214	14247	15627	13962	20147	12267	8403	25087	53159	47189	11595	14713	20083	15809	22204	26771	38621	21279	13075	35251	0	36992	41547	26502	29964	30353	25530	17843	35535	30284	28128	52004	11787	17272	15098	0	0	0	21765	24512	0	34561	36800	29327	28106	14069	0	26111	12771	11607	46475	20228	21045	29853	7379	15174	16250	11318	11348	14079	50728	0	13259	11294	20813	21080	43218	54019	37481	0	21641	31035	20559	23848	14971	23464	10853	21878	12577	36814	11255	16382	55268	22103	25348	39842	12957	18105	412	36334	41767	12932	18085	18099	37951	19483	30954	0	29531	16834	0	31899	15024	Lipid	0.36363637	1.4545455	0.0
20	C22 H32 O8	425.21698	425.21744	-0.121387094	425.21695	417112	449775	437870	395447	302828	305120	330038	507993	371039	631987	278403	246316	462654	221151	474901	433485	264074	501738	622058	688855	546447	432855	361228	494379	413297	284493	287191	295891	574116	440329	424972	510274	583291	448007	677147	494159	647179	352912	249387	373910	189134	295911	9816	1862	709	358936	181182	1261	484099	392331	433162	431781	311174	2555	583584	317806	231690	484191	456007	165709	462663	244596	440342	399930	202512	407563	322228	270154	187298	513524	282126	437179	468746	539006	307715	435011	735	364668	359378	196384	281669	176154	400962	311633	306585	258640	337054	248032	331380	255026	509360	556788	603657	210343	301384	3557	429239	453660	245567	289961	280529	540979	307617	510198	218332	407555	264722	1990	301247	501135	Lipid	0.36363637	1.4545455	0.0
26	C22 H32 O8	425.21698	425.2175	-0.10563401	425.21695	22720	22396	20116	22057	21794	27257	12513	22294	18859	34269	9958	10944	34981	16028	22334	18231	8054	38486	35905	35191	30173	20576	13496	25138	13547	10684	11495	12443	29190	21518	17850	26640	29885	21402	39438	28268	36291	13322	13303	19188	9925	47972	0	0	0	12965	7255	0	22107	16466	26544	19977	20758	0	30735	20751	9673	24787	19023	0	19790	12622	27634	23433	6939	27947	27524	10753	14883	34885	18962	19105	18955	22678	7748	20265	0	15609	17540	11790	13919	7570	18488	11522	12508	8727	16860	15556	33259	13541	25619	34785	30055	3204	13489	0	18677	23212	12103	13990	10321	26861	13849	20650	11932	15331	8639	0	14832	29906	Lipid	0.36363637	1.4545455	0.0
14	C22 H32 O8	425.21698	425.2175	-0.19699422	425.21692	76525	73215	75782	85102	34799	32080	84331	84967	44595	48945	43571	66686	41336	32648	74625	89322	127553	42240	68605	69273	55717	77632	63188	84882	72446	41717	73352	46846	84876	91553	75676	102962	76132	58021	54844	100822	75655	72608	108912	37740	43719	46818	0	0	0	45376	57477	0	101825	83967	71255	65823	41051	330	65589	44439	37130	109145	63399	68649	91428	27428	51305	53411	33454	44542	48394	117508	36505	48610	57987	63274	66259	97541	119108	82883	0	57980	86174	49199	64901	36346	69227	31328	53988	50474	99978	34481	47294	112346	65888	62365	98323	36110	42319	873	75731	81723	34638	65226	72505	98670	56521	79409	22129	72592	45000	0	69745	44128	Lipid	0.36363637	1.4545455	0.0
18	C22 H32 O8	425.21698	425.21744	-0.15702106	425.21692	305666	286066	281055	272711	187065	184447	273651	363015	200252	307997	202617	199977	268746	135115	304305	351857	267302	294301	380813	369367	314937	257169	265827	341208	240913	206061	253368	199238	409107	310552	317692	382882	387768	321550	297709	375896	378961	249297	280503	226264	147380	198011	6527	672	627	233378	153786	774	358649	293198	296901	289043	204943	1631	354291	218393	153243	350575	263632	147403	341968	152255	300503	242983	138578	249093	222630	300846	144643	268828	210951	288935	263563	347182	294887	350500	0	445528	297382	147094	234645	156763	310433	186811	251823	189756	287436	178864	213112	243617	328356	349025	421737	140497	420484	2135	285799	287301	149463	221763	236665	371663	205648	342089	131250	275600	168746	819	244741	275010	Lipid	0.36363637	1.4545455	0.0
4	C21 H32 O7 N2	425.22824	425.22897	-0.06562601	425.2282	5559	5105	4155	4255	1530	2070	3793	5428	1052	3391	0	3025	1851	916	4711	6340	5267	2277	3746	4334	3726	7016	3321	6851	4137	1022	3161	0	6016	5202	5229	4808	5754	3482	4928	5425	5888	4042	5680	3516	2299	1910	0	0	0	4634	4214	0	7905	4142	4164	4351	2179	0	4675	1431	1183	6011	1872	1419	5476	2366	1808	2464	0	2779	2086	6815	0	2241	2331	4303	4069	4503	4109	3985	0	3494	5059	0	3660	1483	2461	1520	865	889	5277	1691	2564	6657	22034	8162	13712	2392	4256	0	3969	6098	1194	543	1817	5550	2440	6817	0	5782	1340	0	3670	2292	Lipid	0.33333334	1.5238096	0.0952381
26	C26 H32 O5	425.23224	425.23273	-0.10099704	425.2322	168487	148159	155147	142683	206050	101967	70149	147437	131643	156601	246676	84270	148844	102790	109956	164199	127185	135614	186953	268354	245974	156930	115977	171650	135405	585879	68093	251297	141054	145550	121360	140262	166748	118293	218433	162303	166062	97296	123632	195847	209899	106679	4076	0	0	135570	137567	0	130819	144041	154386	142494	139135	0	151428	143192	95491	146419	106369	92023	154575	125814	122212	113626	69490	155638	141707	137127	540329	413661	512649	126027	114964	140547	82063	131248	0	90011	206851	268722	118954	108574	106496	182844	158971	106879	305446	97384	106990	171937	124550	128994	194083	336124	175928	0	156518	161866	104514	168003	185046	204981	76648	194596	103705	119414	146668	0	132220	113549	Phytochemical	0.1923077	1.2307693	0.0
22	C26 H32 O5	425.23224	425.23273	-0.11817506	425.2322	227037	251367	214420	234563	257547	148815	167052	221527	199088	255599	295070	159522	155006	138935	184597	260009	303429	191268	239476	324550	347600	192240	183845	252689	184896	704034	166373	261883	212568	209434	187443	224028	247443	163157	283866	220327	229844	177266	316559	235287	315437	158197	5574	0	500	162705	205833	0	203189	206640	239868	227395	203442	874	192577	182718	143804	255270	148196	196885	238555	158881	199657	174861	123793	182945	182989	345523	528048	582008	820037	142887	152863	185460	226236	208817	258	147282	283943	202410	215198	138218	183271	193071	270861	182222	312007	163012	167992	303331	230150	209682	260247	193605	204116	0	206857	254588	193371	246507	223299	292560	155509	239866	126586	214052	223449	0	207189	202986	Phytochemical	0.1923077	1.2307693	0.0
24	C26 H32 O5	425.23224	425.23267	-0.09571056	425.2322	282606	290926	260905	267616	313958	172953	145450	253209	223449	334192	433178	164465	246964	171618	196260	288117	264367	244494	335191	456038	464071	237353	198727	263053	196423	1015229	158634	394753	226445	238484	205269	244919	282316	208136	387574	256391	305496	175087	276042	336012	398829	171920	4960	0	0	210845	225662	0	247106	226893	275493	275306	250956	0	255737	218323	153427	271303	192770	180570	265489	215408	222323	201482	134615	235677	236561	280017	822532	746200	1063075	191715	190570	219162	209678	222665	0	175336	290327	253710	226128	171275	183889	273800	289690	182976	307561	180941	219145	281210	240152	235152	304692	236661	277280	2144	273348	293825	196506	253886	260719	323678	154373	301390	164335	250736	232896	0	212257	226050	Phytochemical	0.1923077	1.2307693	0.0
16	C26 H32 O5	425.23224	425.23273	-0.18051058	425.23218	13695	13735	11347	12688	7796	5404	19384	14155	9467	12159	9539	14813	4585	4220	13694	20594	27158	4628	12160	9610	9947	10262	11131	12887	12111	14615	17752	8020	12888	17250	13675	15384	13732	5591	6922	12403	8793	15948	35170	6620	15551	5737	423	0	0	7753	10172	0	12458	14569	14776	14588	5270	0	8840	10065	9120	18021	10357	19705	17810	5423	7076	6531	8674	3056	7652	29702	10787	16150	17887	6693	10530	16921	28237	14491	0	9040	22319	15084	17097	7932	15135	9079	12041	10015	25301	7090	7204	37669	9654	14207	0	5609	12832	490	16793	12694	12428	20222	16217	14580	9882	11773	6012	14378	12852	0	17441	5757	Phytochemical	0.1923077	1.2307693	0.0
20	C26 H32 O5	425.23224	425.23267	-0.1658752	425.23218	148977	154176	153252	144342	159894	70558	133198	173363	132014	126398	126415	117844	121634	83724	154602	212333	227152	129288	151090	173984	170410	136030	135514	181561	142623	277865	149694	114998	167499	163276	126369	166393	202982	132842	165592	173080	192120	135318	254668	124378	154723	122227	2717	749	0	104122	118057	764	167383	151663	162455	157907	115155	330	133894	101368	99929	222195	107909	130552	181847	85743	112478	102139	87310	118124	103443	241884	194208	235999	338686	109562	112270	165779	195785	159735	0	108321	211670	108631	143446	76172	132197	97765	160343	120111	209788	118181	116215	273665	201949	226731	254180	100835	127161	603	147554	163559	109304	147210	155173	206792	114859	193679	76778	155352	125656	0	151373	120307	Phytochemical	0.1923077	1.2307693	0.0
18	C26 H32 O5	425.23224	425.2327	-0.21021019	425.23215	53922	49069	48010	38158	37454	21726	51441	49872	36703	34569	42444	37234	27554	23000	39447	57628	87709	31329	47172	44001	41315	38860	42511	55004	37184	70852	50919	34491	37934	46988	41454	43738	52587	27426	30447	48092	41945	46258	91043	30171	48018	22591	1262	0	0	25436	38995	0	50109	42540	46587	44585	34124	0	39386	35565	34396	50723	36081	46909	44601	21755	30936	34142	27518	31133	26226	106741	52842	68102	84962	23311	25762	47239	73691	54276	0	30207	80066	36558	58260	25249	42725	29713	60938	38304	72795	26365	30500	93053	41989	42796	58893	25866	40559	0	50530	41627	37917	48321	49763	53461	35309	57829	14690	38901	41725	0	57814	31672	Phytochemical	0.1923077	1.2307693	0.0
10	C20 H32 O6 N4	425.23947	425.23987	-0.052520394	425.23944	1644	1386	0	0	0	0	2040	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1338	0	1264	0	0	0	0	0	0	0	0	0	0	0	957	0	1298	1092	0	0	853	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	979	1579	0	920	0	0	0	0	0	0	0	0	0	0	1086	0	0	2993	20380	5186	2585	0	0	0	0	0	0	0	0	1093	0	0	0	0	0	0	1325	0	Peptide	0.3	1.6	0.2
8	C20 H32 O6 N4	425.23947	425.24005	-0.13323265	425.2394	933	0	0	1930	0	1143	0	1023	0	0	3808	0	0	1249	1047	1149	1178	814	0	0	0	1073	0	2186	848	0	1182	4113	1003	1194	0	1381	963	1438	0	0	1096	875	1961	0	0	913	0	0	0	0	0	0	1626	974	0	0	0	0	0	0	0	1604	0	0	0	0	0	0	0	0	0	1535	0	0	0	0	1049	2239	945	897	0	0	940	9332	0	2388	0	0	0	0	3099	0	978	2473	24504	7860	2411	2058	0	0	1340	1241	1768	0	0	2142	0	0	0	1616	0	0	0	0	Peptide	0.3	1.6	0.2
22	C30 H32 O2	425.2475	425.24838	0.7235023	425.2478	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5606	0	0	0	0	0	0	0	27563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1408	11633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11866	0	0	0	0	0	6669	0	0	0	Phytochemical	0.06666667	1.0666667	0.0
18	C23 H36 O7	425.2534	425.25388	-0.13454284	425.25333	16688	19918	11685	17196	9867	8572	38507	16427	9024	5084	7355	10022	9120	10642	12122	22411	25061	7314	18459	9589	5787	7069	12233	14715	15349	5606	34210	7270	19407	21074	13148	24462	23085	16799	4504	21515	21873	12922	31297	0	5204	9055	458	0	0	6190	5081	0	22312	12940	15199	14750	13072	0	15914	13268	9212	24637	4512	9866	21158	2737	18860	12762	14035	10218	13390	30097	4885	2061	3462	10251	15558	21320	32030	18184	0	7324	16562	3847	13131	5453	38666	25445	16684	17532	25073	6513	14685	25833	19161	13253	15662	4231	5782	0	11921	14803	6238	21560	28705	23596	11110	10551	4308	15368	12150	0	16931	10411	Lipid	0.3043478	1.5652174	0.0
22	C23 H36 O7	425.2534	425.2538	-0.18114771	425.2533	83041	82708	70064	78924	62848	57895	200107	84129	70723	54234	38605	51594	76328	73421	67262	91712	68815	89329	116637	77926	61433	54759	53022	56586	83325	58319	143931	52993	105522	85661	77975	104547	111820	81853	71126	97616	106043	62914	77159	44528	25884	55258	3676	0	284	33989	34561	0	98123	59906	81756	72414	67988	925	98612	80703	55767	99232	58759	38859	92322	30490	85832	77234	65640	96382	93845	76900	22726	42596	38011	64817	81077	83326	68236	73967	0	72549	61463	48067	46073	41394	191333	114947	83393	64435	88491	60375	75728	67775	110924	104345	73529	35356	49732	0	73864	74931	46995	86878	80789	122818	71912	88842	53613	69530	67400	0	55159	85737	Lipid	0.3043478	1.5652174	0.0
24	C23 H36 O7	425.2534	425.25378	-0.16590452	425.2533	98568	90101	97079	85978	81596	70678	181484	86388	84830	102551	50774	39072	129108	76266	81936	82193	50828	127627	189404	113009	79155	76099	57145	70751	86582	44791	149602	78760	119902	90442	84797	119271	145016	96875	129082	117524	145322	63144	59021	64286	29716	58984	6527	0	0	60890	31833	0	106392	64698	90509	75300	81276	0	147070	80045	51762	105032	94852	31326	99912	55017	117824	81592	61395	129282	114878	59308	25520	67742	33766	70314	85429	96453	55379	91684	0	59806	67316	48986	49320	51313	131412	90444	76558	84925	93326	53260	90366	53433	171233	156307	113784	46268	72749	0	92045	98269	47262	71676	79415	128823	45933	101577	92846	80970	66248	0	68910	108844	Lipid	0.3043478	1.5652174	0.0
20	C23 H36 O7	425.2534	425.2538	-0.19749814	425.2533	45264	40076	44445	38653	32819	23204	103794	40656	32824	20517	18995	20479	39276	32212	41845	51760	59049	42813	56355	22273	19657	24151	24361	32297	36173	32760	85838	23194	60880	50827	42848	54037	64189	41458	29228	55830	51707	35688	61417	10023	19959	29253	2122	0	0	18918	15657	0	50452	35351	42520	44957	33619	283	51116	38128	27716	55513	19110	22306	50103	8480	44782	39324	23619	47313	44561	57497	8230	18051	18997	35871	47256	52914	53402	41916	0	28868	43657	26570	23565	17913	129164	94214	44546	35872	60976	25987	42067	46477	47490	42494	43207	11045	19496	0	38972	48653	24579	47805	55045	75626	28258	45712	19641	36565	35280	0	38402	36296	Lipid	0.3043478	1.5652174	0.0
26	C27 H36 O4	425.26865	425.2691	-0.11820155	425.2686	156507	149357	160408	139806	213041	80634	118379	179947	156512	88545	187842	113873	107161	112719	141482	200553	241467	114187	229237	161263	140851	119454	106757	148184	151397	375384	123774	196109	196981	236660	163792	181615	206309	128219	121455	234243	165384	135405	220067	134416	168090	120950	0	0	0	98544	106513	0	163912	180714	152695	149981	168474	0	193104	168143	108832	191105	101758	104267	170434	88730	115031	127635	81238	116332	152438	260802	300890	203477	263174	99092	136101	242270	171738	198300	0	119518	178097	224537	125783	96391	127178	131630	237554	147194	245668	112821	136197	212433	120816	125818	160285	196943	142620	0	155663	165507	132069	235710	245457	269077	109923	194854	97943	138919	203091	0	158609	100689	Lipid	0.14814815	1.3333334	0.0
18	C27 H36 O4	425.26865	425.26907	-0.205451	425.26855	7798	8168	8388	8878	4516	0	21060	7646	5486	0	4084	10996	0	3914	6986	11640	38880	0	11982	0	5564	4336	6308	5806	12074	6888	21574	0	7838	8620	12138	11572	13322	0	0	16990	4258	14682	60814	0	3698	3266	549	0	409	0	0	0	8744	12258	9398	7338	6460	2660	11600	10586	7398	11544	5312	12568	6058	0	0	5290	5972	0	7402	54314	2854	0	6132	2710	4872	14038	33144	0	0	6552	16844	7394	11524	4052	5726	0	23834	11588	22024	5124	4802	52158	6978	4264	11692	4760	0	2472	9280	7598	6100	20020	14566	15876	6816	8390	3858	9204	10512	0	15882	5068	Lipid	0.14814815	1.3333334	0.0
24	C27 H36 O4	425.26865	425.26904	-0.15723568	425.26855	152435	161930	139462	153400	209579	84392	141587	159268	146743	107895	156948	128602	97042	108079	138359	220709	321338	98294	211105	136050	139428	97577	113249	137453	126260	294489	151597	149709	157864	198086	134606	186891	183242	118408	106208	201485	157259	127405	334095	105278	155885	103041	2446	0	0	83649	111888	0	163732	173212	150927	147516	150581	0	160757	140891	103834	183942	89462	124739	171178	75970	111608	113132	92481	104437	133437	337711	193130	163739	251200	86903	116871	184229	211705	178363	0	109883	188519	142545	140929	82559	111634	101953	232319	136482	233976	112598	134271	258122	124952	134219	158992	115197	117119	0	151670	158567	133970	209142	224123	239975	106641	176040	78225	136167	199955	0	157684	105249	Lipid	0.14814815	1.3333334	0.0
20	C27 H36 O4	425.26865	425.2691	-0.14698854	425.2686	22048	20174	18470	23188	21189	8349	34222	20872	20073	4873	12192	21532	9755	18233	22896	37691	82870	8913	27947	10117	9510	10509	17736	20660	20746	17220	40593	11638	25581	30412	23042	26158	24661	10684	8597	30317	17444	25466	83360	7607	15178	16269	4622	0	0	5601	15523	0	23471	26956	24451	26028	20158	284	20612	24243	19431	29380	10857	28204	23230	3153	10144	15058	14370	11846	13420	91489	14630	16384	23478	8759	14268	23101	62250	24301	0	16052	43156	19499	23946	9251	19874	0	39733	27790	59551	15122	13506	80532	16429	12334	21463	7109	12496	0	20047	20518	17663	32055	42408	34167	20132	24698	5710	18025	31366	0	30458	10257	Lipid	0.14814815	1.3333334	0.0
8	C21 H36 O5 N4	425.27585	425.27646	-0.047012743	425.27582	0	1422	968	1223	0	7383	0	0	0	0	1575	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12821	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1608	952	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	816	0	0	0	0	0	0	160108	0	0	0	0	0	0	0	0	0	0	126046	18225	0	8206	1244	0	1508	1390	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.7142857	0.1904762
10	C21 H36 O5 N4	425.27585	425.27612	-0.22939381	425.27576	0	1390	0	0	0	1555	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	977	1333	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1079	0	0	0	0	0	0	0	0	0	0	0	0	43455	0	0	0	0	0	0	0	0	0	1198	139798	26655	0	3117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.7142857	0.1904762
20	C24 H40 O6	425.28976	425.28995	-0.026850611	425.28976	0	2009	1817	0	0	0	11362	0	0	0	0	0	0	0	0	0	47490	0	0	0	0	0	1289	0	0	1645	5333	0	0	0	0	0	0	0	0	0	2091	0	30842	0	0	0	0	0	0	0	0	0	0	0	1900	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	120446	0	0	0	0	0	0	2838	0	0	0	0	0	0	0	7894	12046	0	0	0	0	0	3516	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.6666666	0.0
22	C24 H40 O6	425.28976	425.29013	-0.14824577	425.2897	3368	4641	2888	6124	2714	0	67672	2362	0	0	2340	1053	2276	6839	1673	5655	10672	0	0	1866	0	0	0	0	2443	8424	53545	3338	3470	3513	3404	0	6529	1977	0	6773	3207	2601	17252	0	1757	1274	0	0	0	0	0	0	7646	2990	4822	2789	2796	0	2275	1380	2325	3193	0	2475	1976	0	4155	0	7516	2805	6941	16686	0	0	0	1198	1976	8194	5468	2859	0	2035	2363	3595	1235	2290	51820	44001	0	3203	4046	2476	2166	13332	7701	5829	3637	0	0	0	3614	3642	1579	1643	3406	8377	1181	0	1200	2262	3618	0	4696	0	Lipid	0.25	1.6666666	0.0
28	C24 H40 O6	425.28976	425.29025	-0.054208513	425.28973	24093	19762	23713	24843	3120	2863	103146	39880	7378	6208	23229	25543	2837	6331	7323	26389	7410	2308	13745	67945	17070	1828	6056	4870	10418	0	91039	32126	213140	126251	84748	92696	116369	45627	23962	111825	53177	8491	8569	16238	2067	16261	0	0	0	13273	2635	0	211693	40437	27212	23629	3194	0	16225	4229	25273	65189	125966	2755	32222	23828	1834	27031	62395	5997	19196	7195	0	1846	1451	22833	28321	41330	6414	88014	0	47677	3459	9844	3662	25044	71311	20276	3542	5064	6741	4102	33448	4537	15729	18502	3491	4670	2385	0	26428	29423	3101	3131	6815	129960	49797	245237	73179	7872	0	0	5577	1589	Lipid	0.25	1.6666666	0.0
24	C24 H40 O6	425.28976	425.29016	-0.18974572	425.28967	22080	17448	17580	17327	8400	5260	249072	10249	4073	6544	11730	4518	3838	37909	6564	15187	40559	5360	7437	8811	4003	4405	4590	2680	11021	23795	212211	21475	13168	9419	6442	13439	14554	10319	5726	15387	13719	6911	47735	2135	12421	7478	2681	0	0	4524	5284	0	18084	7890	20938	15403	11486	0	6534	9791	8715	14356	6406	13537	18094	5471	16296	3177	24948	24120	28501	42180	2260	3711	10849	5450	12865	17344	14209	13976	0	3837	6649	21606	5045	9521	77723	82987	5566	7216	13812	9116	8244	28173	30198	23450	12724	4249	3385	0	18355	17970	6191	9757	8412	19513	3478	12561	13726	10024	5090	0	11499	5265	Lipid	0.25	1.6666666	0.0
26	C24 H40 O6	425.28976	425.29028	-0.02919652	425.28976	86814	94812	87387	88483	13017	7077	277640	166052	7385	18622	49996	166455	10078	42227	27442	517280	660053	9775	23415	28656	24715	12995	16637	7480	24658	20429	237036	99455	113991	333295	130456	134342	201967	21447	30432	195348	123717	42079	662059	8249	17030	37482	0	0	0	8160	6244	0	469578	190753	83484	88257	43776	0	11665	10120	12629	382188	55596	19539	270738	27870	20087	10511	39387	37233	54723	597858	7831	14190	25029	11862	20023	403078	149271	193362	0	114002	15328	35017	13643	21106	58035	51400	9809	13147	20398	13997	33967	49856	49153	48362	38862	8806	6609	0	89076	105556	9709	9512	10426	324338	96219	34828	73451	98838	7308	0	30793	11109	Lipid	0.25	1.6666666	0.0
26	C28 H40 O3	425.30502	425.30548	-0.19776371	425.30493	50362	51612	52020	53340	37180	27090	71654	84244	39783	5379	28226	61329	15209	43213	64146	97369	194276	18037	41368	12580	7637	20821	37665	36210	75967	26213	75042	35813	101608	212248	109987	95991	62203	45316	9305	168721	48149	73718	182482	14845	26870	44093	0	0	0	14271	19364	0	79121	130858	58611	55281	39913	0	45816	57122	40113	74759	23282	39115	73938	11350	19425	25969	36766	22907	54907	218218	20009	14016	17139	25757	55743	214411	176391	149048	0	57847	76284	50085	53787	23726	38348	22566	78672	58735	164154	34591	40037	186961	31232	33740	46095	25731	12538	0	58119	61381	43761	91445	96074	111857	57378	44335	11771	52564	70799	0	83556	13353	Lipid	0.10714286	1.4285715	0.0
24	C28 H40 O3	425.30502	425.30542	-0.19340228	425.30493	34700	33561	35421	30736	19916	36005	49242	59351	17621	0	11018	40367	4210	25282	36269	80503	168258	8259	22856	3274	5274	9699	24037	22977	41803	8382	60910	13183	66133	133695	60682	71839	42829	25285	4686	100669	31100	42082	175940	3670	10839	29249	0	0	0	5186	10588	0	55970	90993	31516	36340	26502	0	25513	19353	25689	53331	10344	26232	46147	3540	8644	12881	32167	10473	30552	191438	5280	5549	11020	16079	33746	129916	153400	106931	0	37388	52250	21922	27853	10507	18919	7119	40593	39675	94852	21613	28762	144096	21397	15950	24390	10943	6569	0	33046	33098	23225	44346	42232	69736	40605	23871	7720	36433	38420	0	44904	4444	Lipid	0.10714286	1.4285715	0.0
28	C28 H40 O3	425.30502	425.30545	-0.19597575	425.30493	28229	23760	25237	23324	25094	11313	39491	56694	24699	2689	14735	24158	12338	18107	24974	43990	65212	8747	26008	6508	3436	9864	18928	17824	41853	18897	42803	18095	55436	93617	38941	45723	36410	24964	3331	83224	25517	34854	60966	5048	6901	17386	0	0	0	6324	3664	0	37861	58154	24535	26009	23406	0	25063	25763	19223	51265	11828	11204	39178	5774	8132	15281	17333	13516	27264	80457	9092	7323	5848	14793	21597	89317	42580	69675	0	19312	42991	27099	21512	9953	20056	11347	63106	24636	103540	14687	17659	66506	16212	19610	25362	16921	3608	0	27343	27101	24616	65122	75394	49116	24961	23497	11797	29310	52875	0	35777	7496	Lipid	0.10714286	1.4285715	0.0
22	C28 H40 O3	425.30502	425.3054	-0.16075724	425.30496	5947	7575	6482	5775	3521	3973	18120	11992	4130	0	1340	11353	2156	5647	8412	17016	106646	0	3689	0	0	2353	3163	2819	9470	0	20307	1593	15083	25008	11890	15685	6631	2507	0	18699	5465	9097	104051	0	1664	5668	0	0	0	0	0	0	14798	15548	8246	10936	5506	0	5102	4434	4459	13124	1419	4668	6479	0	0	0	9195	0	8027	119874	0	0	2305	2748	3568	23377	45889	22891	0	7998	12592	4017	8420	1757	3611	0	9744	8575	25039	4496	6984	50920	1888	0	4033	0	0	0	5385	6969	5791	7789	9374	19059	9628	2601	0	4296	7127	0	11780	2249	Lipid	0.10714286	1.4285715	0.0
26	C25 H44 O5	425.32614	425.32645	-0.22923803	425.32605	7965	5705	4960	6106	0	0	187099	7053	0	0	15049	3318	0	32352	0	5804	8684	0	0	0	0	0	0	0	0	14334	166822	20222	10332	8477	3428	6599	2340	5991	0	8684	2326	4843	12115	0	7577	0	0	0	0	0	0	0	10806	0	5976	5491	0	0	0	0	4369	6185	4015	7469	11701	3353	4150	0	29406	1516	7982	11431	9693	2009	0	2817	4376	0	8331	5765	0	0	2888	14287	0	10749	19180	24800	0	0	8263	0	4349	15332	10589	6802	4137	3766	0	0	6124	7424	3654	0	0	0	0	8477	8298	1297	0	0	3417	2040	Lipid	0.2	1.76	0.0
28	C25 H44 O5	425.32614	425.32654	-0.21217725	425.32605	4829	2678	3242	2768	1806	1735	171746	4463	0	0	12970	3374	0	8041	2826	0	4366	2311	1724	2739	0	1110	0	0	3561	10017	158716	16529	5739	3878	1843	3298	0	3692	2288	4737	1339	3426	4431	1088	2089	3710	1202	0	0	2379	4029	2321	2233	3535	4878	3067	0	3585	0	2832	2207	2241	6141	4202	7356	3979	1276	1391	8661	1821	4923	5488	11325	1414	1074	1583	2505	4095	3278	2182	3887	2315	2573	11431	2312	7400	8236	7078	1991	1748	4509	1396	2679	3463	8659	4037	3134	5081	0	0	2886	3784	3616	1735	2657	3188	2919	5265	7925	2107	1377	2171	5282	962	Lipid	0.2	1.76	0.0
24	C25 H44 O5	425.32614	425.32626	-0.23880658	425.32605	1622	1541	1821	4303	0	0	31231	3559	0	0	1249	0	0	6907	0	3731	7497	0	0	0	0	0	0	0	0	0	24773	2393	5565	9323	2591	5434	0	3252	0	5145	2255	0	6034	0	0	0	0	0	0	0	0	0	9117	4011	2725	0	1117	0	0	0	0	1458	0	924	4273	0	0	0	1915	0	2285	8919	0	0	0	1812	1291	2337	10668	4151	0	0	0	0	0	0	4574	5455	0	0	6906	0	4010	24858	3886	1542	2909	0	0	0	0	4091	0	0	0	3462	0	0	0	0	0	0	1181	0	Lipid	0.2	1.76	0.0
26	C29 H44 O2	425.3414	425.34174	-0.16312395	425.34134	3924	0	3275	0	0	0	6757	5886	0	0	0	5932	0	0	6886	0	19686	0	0	0	0	0	0	0	0	0	10354	0	5436	24344	5833	6502	0	0	0	12874	0	10575	21244	0	0	0	0	0	0	0	0	0	4848	19648	3171	2463	0	0	0	0	2824	3372	0	0	4417	0	0	0	2341	0	0	27114	0	0	0	0	0	28382	11774	13249	0	7678	10361	0	5413	0	0	0	0	0	34481	0	0	31586	1290	0	0	0	0	0	3874	0	2614	6882	5706	5681	5956	0	0	1903	4126	0	7299	0	Lipid	0.06896552	1.5172414	0.0
28	C29 H44 O2	425.3414	425.34183	-0.1550426	425.34134	1772	1652	2111	2028	0	0	8231	5226	975	0	922	5196	0	0	4105	4139	10203	0	0	0	0	0	0	0	5610	0	6853	0	3293	13859	4101	5353	2288	0	0	10476	0	9207	9887	0	0	0	0	0	0	0	0	0	4203	8358	1974	2204	0	0	0	0	1445	4169	0	0	1978	0	0	0	1369	786	1134	12670	0	0	0	0	1643	13038	5018	6565	0	2627	8744	2937	3870	0	0	0	5777	3249	33296	0	0	22690	1128	0	0	0	0	0	2256	2462	1916	6209	6813	3427	4701	0	0	1160	4301	0	5310	0	Lipid	0.06896552	1.5172414	0.0
6	C11 H15 O11 N5 S1	426.05615	426.05673	-0.39371818	426.056	0	0	1808	0	0	0	1043	2460	0	0	0	4180	0	0	0	8052	3568	0	0	0	0	0	0	901	3123	0	0	0	4824	4956	7194	3918	2938	12992	0	13151	9023	0	1242	0	0	4219	0	0	0	0	0	0	79249	8601	1513	0	0	0	0	0	0	2645	0	0	5150	0	0	0	0	0	4796	0	0	0	0	1125	0	0	14009	0	0	7650	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1542	2101	0	0	0	4735	1890	0	0	699	0	0	2014	0	Peptide	1.0	1.3636364	0.45454547
12	C17 H15 O12 N1	426.0667	426.06735	0.11134986	426.06674	1673	0	0	1868	6932	1557	0	0	7208	0	0	0	14300	1408	0	0	0	4564	4532	1771	2301	0	2067	0	0	0	0	0	0	0	0	0	0	0	1527	0	0	0	0	0	0	2310	0	0	0	1478	0	0	0	0	1770	3251	3627	0	9457	8904	1465	0	0	0	0	0	20300	9401	1508	9031	2456	0	0	0	0	0	0	0	0	0	0	0	0	0	1160	1594	0	0	6523	749	1612	1747	2566	0	0	0	0	5725	0	0	2127	2987	7215	9559	7747	0	0	0	0	0	4839	0	0	16582	Phytochemical	0.7058824	0.88235295	0.05882353
18	C17 H15 O12 N1	426.0667	426.06735	0.19783159	426.06677	19818	6372	0	6726	23643	16254	0	0	20316	0	4620	0	74844	11712	0	0	0	35460	18285	0	0	11664	8112	0	0	0	0	0	0	0	0	0	0	0	0	0	5454	4029	0	3648	10605	10713	0	0	0	3465	13197	0	0	0	10224	5715	12558	0	25716	48231	9297	4251	0	9057	0	6891	73674	40449	13515	26418	7260	0	4101	0	0	0	0	0	0	0	765	5904	5601	17910	3393	7494	0	0	35799	11613	5478	8346	9546	0	0	7131	0	17391	11502	0	11652	14622	24522	43329	38061	6306	4887	0	11154	0	21381	0	4428	61356	Phytochemical	0.7058824	0.88235295	0.05882353
14	C17 H15 O12 N1	426.0667	426.06735	0.11079258	426.06674	3243	3405	2301	4039	11518	3170	0	0	12918	0	1729	0	21408	2683	0	0	0	11936	11259	0	4340	8025	2356	0	0	0	0	0	0	0	0	0	0	0	2285	0	0	0	0	2353	0	2889	0	0	0	2304	5440	0	0	0	3389	2382	5241	0	9029	14185	4073	0	0	0	0	2668	28675	19006	4590	11685	4555	0	0	0	0	0	0	0	0	0	0	1632	0	0	1217	1993	0	0	15190	2951	2708	3887	5530	0	0	0	0	13742	4808	0	2865	4089	8214	15195	18823	0	0	0	0	1388	7654	0	0	25303	Phytochemical	0.7058824	0.88235295	0.05882353
16	C17 H15 O12 N1	426.0667	426.06738	0.14960784	426.06677	0	7366	5168	3496	22266	9114	0	0	23362	3666	2804	2544	33226	7820	0	0	4914	22954	27432	0	7940	19984	9996	0	0	0	2210	0	0	0	0	0	0	0	6932	0	0	0	0	5362	8166	5356	0	0	0	5220	12490	0	0	0	6572	0	8102	0	21742	34838	10236	0	0	0	0	5108	50360	32472	12836	24308	6682	0	0	0	0	0	0	0	0	0	0	2658	0	18920	2846	4642	0	0	31224	6490	2884	11458	6968	0	0	0	0	31496	11462	0	5592	5162	12580	29396	26426	0	4212	0	0	0	24524	0	0	57412	Phytochemical	0.7058824	0.88235295	0.05882353
22	C21 H15 O9 N1	426.08197	426.08246	-0.040461123	426.08194	6252	3626	5168	5005	4903	3641	0	0	8763	18932	8352	1783	10538	0	1332	1694	1413	13288	9869	8596	17391	25676	3241	5413	1333	5952	2226	4570	0	0	1284	0	2992	2219	21160	0	4183	3175	2304	12546	19830	4352	0	0	0	12170	22904	0	0	1263	10187	6180	4792	380	7617	4940	2978	2062	2443	4823	1888	13280	13148	7224	3458	8322	3099	1724	7596	7623	11806	0	0	0	1354	1197	504	1161	5299	17736	5829	11018	1153	5406	7944	4335	4785	6652	3620	5997	0	4444	4890	35316	41826	0	6456	4684	4024	9259	4286	2535	1724	2695	10864	4421	5360	0	1744	10824	Phytochemical	0.42857143	0.71428573	0.04761905
20	C21 H15 O9 N1	426.08197	426.08246	-0.08133708	426.0819	7944	10969	7862	7786	10858	6919	2105	0	9554	30622	16125	2147	11524	3475	3834	0	2068	11744	15741	12103	25169	39456	2960	0	3267	9716	2382	8784	2237	0	0	0	3870	0	32331	0	4644	3174	2063	21495	27596	3936	0	0	393	18354	28765	0	3055	1469	6904	9547	8831	249	9088	8050	5346	4991	1607	6390	2457	14082	14572	11209	3040	11128	6736	2879	18228	15796	28882	1494	0	0	0	0	0	1778	6100	26804	6639	11648	1698	10522	9708	6527	7870	5990	7293	6054	5949	5265	4809	39849	44100	0	5819	6799	8399	12402	9518	4135	1444	3094	13691	1767	3910	0	3260	20081	Phytochemical	0.42857143	0.71428573	0.04761905
16	C21 H15 O9 N1	426.08197	426.08255	0.006890858	426.08197	7565	8254	6114	6671	11603	4397	2205	0	8531	34007	17190	1947	15255	5365	1720	3409	0	7941	7483	17524	24919	27616	2835	2145	2608	20535	0	7110	1572	0	0	0	0	0	42543	0	2427	2394	2115	20411	25723	2814	0	0	0	9658	19624	0	1937	0	5942	7010	7477	0	8488	9086	3271	3483	1663	1690	0	13270	17990	12388	3669	8989	2463	1876	24207	26762	42137	0	0	0	0	1360	0	0	6691	23387	2897	13726	1280	6933	11297	3348	8620	4245	3177	0	3555	8396	0	32345	36681	0	5376	5466	4457	11776	10748	2222	0	1632	7069	0	5018	0	2726	12827	Phytochemical	0.42857143	0.71428573	0.04761905
18	C21 H15 O9 N1	426.08197	426.08252	0.006151518	426.08197	9587	10229	8624	5047	11563	4156	1553	2969	11762	33796	22994	1192	15701	5467	1808	4692	2366	9382	14964	13984	26178	33624	2220	2681	3111	14449	1417	6893	0	0	0	0	4582	0	47538	0	4950	1831	2142	21270	28688	4042	625	0	0	12984	21442	413	2244	0	9385	10293	7813	0	14727	11929	3708	3192	2816	2766	4997	13136	23031	8844	4943	14889	7181	3195	15142	25983	42023	0	0	0	2682	0	0	0	7592	31519	5771	14146	1485	13667	13195	6688	8101	4853	3796	7852	8458	4553	5724	39272	46407	0	8698	11228	8247	13634	8280	4138	0	2977	10644	4633	6729	0	4310	15487	Phytochemical	0.42857143	0.71428573	0.04761905
14	C21 H15 O9 N1	426.08197	426.08264	0.049104676	426.08197	3159	4001	2555	4416	5317	1404	0	0	5453	22495	8293	1105	7219	2624	0	0	0	6798	6639	8433	16721	18133	0	2465	1395	11374	0	0	0	0	0	0	0	0	35032	0	0	0	0	6943	16894	0	0	0	0	4929	11660	0	0	0	4300	2925	2690	0	8165	5634	676	1933	0	0	0	8409	10785	5434	1936	4130	2583	1473	14771	17928	26157	0	0	0	0	0	0	0	3641	0	1585	7917	0	3603	9164	0	3389	0	0	4179	2919	4612	3030	17316	21493	0	2261	3833	6537	6875	4498	2636	0	0	0	0	0	0	0	8587	Phytochemical	0.42857143	0.71428573	0.04761905
26	C21 H15 O9 N1	426.08197	426.08228	-0.21973316	426.08188	2624	3673	3271	3066	4295	2354	0	0	5541	9351	2959	0	4402	2379	0	0	0	5163	5701	0	8579	13712	0	0	0	0	0	0	0	0	0	0	0	0	10273	0	0	0	0	5779	9824	0	0	0	0	0	8820	0	0	0	4313	4976	2377	0	5921	0	0	0	0	0	0	6184	6273	7386	0	4046	0	0	0	3332	4450	0	0	0	0	0	0	0	3809	9645	2810	4213	0	2650	0	0	3982	3653	2730	3363	1505	2534	0	17111	21658	0	2478	0	3858	2609	0	0	0	0	0	2904	0	0	0	7293	Phytochemical	0.42857143	0.71428573	0.04761905
24	C21 H15 O9 N1	426.08197	426.0824	-0.13018562	426.0819	4153	5153	4555	3065	5050	2940	1859	1335	3660	14148	3600	1077	3615	2444	1889	2359	1260	7039	5549	3120	9121	17694	2975	1991	1619	1786	0	2282	1294	0	0	0	0	0	10769	1505	2823	1359	1945	6267	10600	3415	0	0	0	8314	15875	0	1073	0	5108	3094	2125	0	6256	3657	2889	2157	0	1656	1560	4271	12166	6261	2088	8400	1642	1561	5314	4986	8764	0	0	0	0	0	0	957	4502	12893	3270	6865	1908	5069	4954	0	4284	2990	2443	2990	1643	0	5203	22419	28308	0	3478	1778	2702	5495	2221	0	1239	1891	4880	1227	2931	0	1622	10436	Phytochemical	0.42857143	0.71428573	0.04761905
18	C18 H19 O9 N1 S1	426.08533	426.08585	0.027189987	426.08533	4606	7269	7124	4931	2669	3636	1465	0	4791	24050	11484	2627	6425	2167	2980	3979	0	9874	6451	7905	15556	24027	1787	3402	2899	4497	1081	6206	0	0	0	0	3009	0	25037	0	4267	1526	0	19436	6295	0	0	0	0	5358	8535	0	2143	0	4423	5934	3303	0	2280	4239	1667	1373	3424	4014	0	15909	5086	6961	1034	4510	2886	2351	8559	7336	8914	1692	0	0	0	0	0	3204	2231	19271	1744	8161	0	7522	5039	2906	2855	2882	2629	3510	7699	13555	6240	20384	38379	0	6416	7724	1744	4093	2598	2809	1379	5204	7862	2133	3596	0	1249	13116	Organosulfur	0.5	1.0555556	0.055555556
14	C18 H19 O11 N1	426.1031	426.1037	-0.005211869	426.1031	70115	79927	62397	83610	85684	66710	25523	45883	121682	108133	92320	46652	205679	42762	60105	44359	59574	159772	143233	108939	191712	204638	67106	56045	18008	12163	28705	29328	36643	38303	32326	33014	63336	28104	162624	33724	60528	45383	44686	86772	158145	64890	3417	386	346	98465	214233	0	42623	49147	77768	68884	66719	350	168530	110369	51622	44610	74831	57054	63709	128637	205202	151474	52098	116356	67900	44283	86502	30241	58550	31501	34350	32732	51387	31856	324	46241	52845	131940	47811	88579	21476	29026	126895	75950	52433	73279	61564	64854	24679	51423	85727	168219	132445	0	80073	82798	92541	92637	109264	74630	49930	62529	171243	52273	96518	434	24100	174811	Phytochemical	0.6111111	1.0555556	0.055555556
6	C18 H19 O11 N1	426.1031	426.10385	0.002871064	426.1031	20556	25156	18632	21930	28280	10638	3562	11516	40656	30090	29962	13300	59154	9568	9948	16564	17540	38292	46066	18556	43034	39744	13952	15544	1536	4172	5320	0	5482	7168	7884	9980	16566	8632	38684	7918	8672	13464	18648	14790	41574	18798	0	0	0	13688	30018	0	11242	10754	28108	24558	24896	0	44676	40388	16262	13318	4270	21172	10548	16762	73864	42440	20010	39120	18024	26080	10468	5418	15838	8308	8518	10902	11382	6946	0	7656	17482	8356	8336	10522	4484	4636	50846	22076	12418	30590	19106	28132	0	5054	22396	30896	25706	0	14014	23982	30916	48926	40676	15076	10074	13190	17640	18924	29036	0	4182	72251	Phytochemical	0.6111111	1.0555556	0.055555556
16	C18 H19 O11 N1	426.1031	426.10364	-0.010276384	426.1031	50528	66959	52717	59257	83571	51676	23914	30186	106506	74644	58411	33360	178403	37494	43976	36459	39610	151071	122881	86830	129083	141105	64076	36584	19427	11095	21564	24329	31208	23171	29688	33476	46020	23240	119757	26951	42455	30637	28654	58864	85707	52743	3379	785	990	79574	150559	1206	31663	31481	63441	56129	66738	618	130540	86674	44528	39075	41213	32177	48082	81632	164434	98491	39000	98433	61146	33406	52243	20694	42704	29607	25781	25397	31079	23858	351	32801	44416	110432	31808	79561	13691	22841	112492	47152	36086	45684	48839	39753	18589	41060	62520	120805	111531	839	58182	65191	75365	77999	90919	55686	28130	34694	97257	41887	85488	652	17797	156817	Phytochemical	0.6111111	1.0555556	0.055555556
18	C18 H19 O11 N1	426.1031	426.1036	-0.037084956	426.10306	33554	36647	36596	33540	55025	40506	10659	18398	52690	47965	31140	19534	120324	27976	31801	17102	19444	94755	69717	41102	61347	70919	30915	20381	11229	7539	8971	11873	17257	11765	11446	12116	20547	12415	53543	12129	24510	20797	14557	36842	43018	26112	2096	462	628	58596	96852	1260	11270	14757	38130	31728	45146	437	96675	67090	29908	18737	21791	15386	19397	52324	99583	59833	25425	62559	34698	14835	29782	9063	21185	10750	10847	10278	11114	11880	733	17990	25747	53375	23069	53019	6564	12466	78878	44343	24417	25878	30810	17287	13604	23600	28409	68897	60512	789	33301	41712	38679	39366	52744	23058	16784	15505	63053	19916	51212	693	10711	108187	Phytochemical	0.6111111	1.0555556	0.055555556
8	C18 H19 O11 N1	426.1031	426.10376	-0.011678467	426.1031	34995	36028	28037	30977	26552	12567	9662	17935	44100	47757	44633	18867	69319	10565	14869	19612	26304	40195	44589	40792	79725	54287	23441	19044	4074	4003	8743	7609	10141	14917	14295	16315	20952	14572	61753	13403	20359	14874	27066	34521	73087	24635	483	0	0	30517	67981	0	16290	18251	29924	30482	24612	0	56149	43202	22345	15084	14988	30257	23428	36115	87155	57412	18739	45087	22339	25823	17545	9783	17348	16357	16226	11929	18210	14456	0	14947	18443	23632	15187	19542	6654	8550	46420	16331	15830	28829	24164	32532	0	15977	31016	63650	42549	0	31826	35219	37921	47984	47466	25713	16852	19446	27777	20916	39815	0	6781	85482	Phytochemical	0.6111111	1.0555556	0.055555556
22	C18 H19 O11 N1	426.1031	426.10367	0.055039342	426.10312	10564	6650	3789	12542	13322	10158	1755	3111	15246	12806	7370	2952	21790	4907	3097	2441	3001	21307	12338	11944	11971	13443	7358	5717	2465	0	2285	1730	2980	1654	2599	0	4004	0	11896	2298	2413	3554	1251	5839	10871	4553	0	0	735	19720	43207	0	0	1638	9491	7970	8585	491	24518	20304	3628	1992	2435	3862	1676	14078	30182	15059	4854	11355	6420	2314	5266	4017	4324	4016	1888	0	1409	1448	607	3942	7051	13358	6421	16464	1883	3076	21279	8785	4877	4520	4501	2909	2405	3726	4522	17042	9795	0	7381	6972	11915	11221	13286	4142	3344	2752	24536	4129	13648	0	2011	25031	Phytochemical	0.6111111	1.0555556	0.055555556
12	C22 H19 O8 N1	426.11835	426.11896	0.06566943	426.11838	5929	6295	7168	5003	9819	3181	2883	2239	9870	39338	24527	1916	12594	5583	1716	3399	0	7880	10597	25858	31324	15760	4441	0	2449	39905	0	12901	0	1379	2241	0	2109	2507	50575	1645	2018	3266	3520	20888	23744	2477	0	0	0	10446	21080	0	3191	0	4045	5763	5902	0	9063	6975	4062	3652	0	0	0	16281	12789	6631	3710	8170	4980	0	41490	55436	76196	1782	1633	0	1341	1566	0	1239	8194	0	3622	13150	3972	12742	7894	3958	8331	3593	3044	7645	5252	8844	5816	29121	20381	0	8200	4708	12509	6258	7574	2561	1557	3850	0	5057	6821	0	3847	9912	Phytochemical	0.36363637	0.8636364	0.045454547
20	C22 H19 O8 N1	426.11835	426.11884	-0.015679237	426.11835	21675	17177	18525	17418	19381	8883	2402	4314	19710	79673	50202	7244	18708	14229	3211	6150	6449	22711	18200	41872	62980	42490	5750	6944	5760	61515	8020	36680	2610	4699	2496	3371	9533	3721	82288	2692	12856	4761	6993	56491	62061	7236	1028	0	0	36688	60772	0	4266	3804	21046	18218	14848	0	15888	13701	9752	7820	5484	7432	9842	30119	30827	18873	7251	18337	9466	8428	62825	92757	103891	6438	2627	2298	3981	2866	0	3552	11827	52860	5237	29115	7408	40837	21042	7627	10171	9552	11732	9008	13690	22200	15618	67099	66692	0	19367	25249	15450	16053	20024	9645	4356	8574	27239	5843	10220	0	11726	21951	Phytochemical	0.36363637	0.8636364	0.045454547
14	C22 H19 O8 N1	426.11835	426.11893	-0.009232657	426.11835	11560	15141	17098	15797	10158	7878	3677	4619	12310	62908	36962	1722	14432	9945	2541	4243	4143	8916	12489	41221	52415	24336	4171	6538	4852	66780	1239	36251	3269	1793	2402	0	6789	1849	76424	1954	5969	4610	3601	31628	40011	7056	0	0	0	26318	26359	0	2692	2628	12889	14413	8236	0	11483	13913	4878	6319	0	0	0	20193	15031	14118	3332	8926	6041	4730	79559	85788	89864	1971	2095	0	2339	2158	0	2419	5046	30019	5153	18080	3234	19936	10626	7864	7768	4538	4938	12400	9462	8153	11141	36793	46017	0	14263	12635	7326	14137	10399	3111	1612	4634	0	7622	7858	0	3969	14313	Phytochemical	0.36363637	0.8636364	0.045454547
24	C22 H19 O8 N1	426.11835	426.1187	-0.14975192	426.1183	4426	5483	5057	4889	2186	4419	0	0	4846	23444	13639	1680	2917	2163	0	1882	1336	4668	5590	8247	16436	15413	3490	0	2441	10754	0	6071	0	0	1197	1507	1730	0	24112	0	1683	1610	1919	11648	16490	1968	0	0	0	12948	22729	0	1687	0	6294	6399	2854	0	6569	4726	2132	1520	0	1838	1843	12362	9972	4705	1330	6333	4595	0	19715	22123	26148	0	0	0	0	0	0	1345	3036	17987	1806	8069	2481	9697	5419	0	4193	1697	3029	4219	4472	5967	2045	24411	24172	0	4775	4209	3500	3990	5112	0	1055	4122	13753	1335	3519	0	2965	5636	Phytochemical	0.36363637	0.8636364	0.045454547
22	C22 H19 O8 N1	426.11835	426.1188	-0.12079141	426.1183	15616	14086	13952	14156	10288	7047	2674	2364	9937	42165	40057	3792	7348	6932	4511	5869	3722	12090	10334	21477	41448	28546	1965	4035	5490	35901	1916	24513	3682	2587	2769	0	4328	1719	44584	1269	5993	3592	5080	33292	40898	6413	0	0	0	20898	46139	0	3867	2683	12451	11255	8861	299	9941	10556	6895	4132	3793	4307	4334	21813	23049	8264	4338	13073	5926	4011	42948	45651	61600	1228	1226	1065	1561	2580	0	3930	6797	27915	6124	21194	3829	17066	9911	7550	8022	7358	7325	7090	7835	11743	8266	45156	43170	0	9925	11027	8640	8577	6608	5056	3392	7488	21961	5207	7822	0	4718	18288	Phytochemical	0.36363637	0.8636364	0.045454547
28	C19 H23 O10 N1	426.13947	426.13995	-0.090802416	426.13943	8440	6142	7225	8608	9949	7092	1581	5814	6815	20697	6939	3670	12497	3113	6149	6933	2293	10219	9257	25016	24499	8568	10324	10465	3554	16487	2107	6906	6028	6104	5552	5329	4292	5368	20549	5459	6420	5041	3912	13159	12587	4337	0	0	0	13339	17405	0	6689	6793	8165	7901	7686	0	11602	6848	4128	4773	3834	5390	6668	8620	10270	7056	2838	11421	4407	4075	17315	25495	26606	6086	5900	6478	6871	5623	0	4520	5396	4616	4430	8659	4255	7549	8257	3371	4973	4064	3079	3255	4103	5852	9042	5787	8801	0	7350	10295	7356	4482	4088	6082	2947	6704	12467	4829	7637	0	2344	13470	Phytochemical	0.5263158	1.2105263	0.05263158
26	C19 H23 O10 N1	426.13947	426.13992	-0.052792758	426.13943	9364	7364	6728	6021	8518	5870	0	0	10133	18591	6415	3916	19237	3019	0	5384	0	15732	9705	21546	18515	7433	6429	7160	0	6775	2016	2405	0	0	5096	0	5097	5214	16756	0	3625	5078	3674	9057	12536	0	0	0	0	12689	17459	0	2922	0	9803	7070	7507	0	9748	6248	2796	3642	3109	0	5127	9313	11207	7169	3418	7973	2861	2637	10590	15493	17762	7554	3513	0	0	3576	0	2919	3667	0	3368	5638	2432	6327	9750	0	3124	3712	3174	2529	3896	4415	6061	2881	7736	0	8587	6687	4528	5604	6090	5012	3637	0	6819	3532	4721	0	2622	15070	Phytochemical	0.5263158	1.2105263	0.05263158
6	C19 H23 O10 N1	426.13947	426.1402	-0.04254631	426.13947	38524	35907	32436	35073	24600	15286	15936	35703	32805	57612	40908	23269	49706	10822	23568	38428	35974	41667	88452	47735	162962	108264	56954	39566	10243	16220	16006	17689	28259	28542	25076	31253	36603	25549	72173	30702	32074	37162	42948	37594	123478	23314	0	0	0	35706	61665	0	35550	31206	77766	36228	21137	254	81058	32908	16062	34486	22565	74932	34240	27259	112824	38515	15212	36238	26038	46176	29738	24061	43331	28336	29439	25910	17004	28166	0	17751	21996	20226	18349	24195	16876	15384	32806	21003	21044	25442	23630	35131	17620	27770	39758	38597	42598	0	30781	33518	18906	30793	32579	34906	20700	40702	36039	29943	26294	0	14266	110080	Phytochemical	0.5263158	1.2105263	0.05263158
10	C18 H23 O9 N3	426.1507	426.15128	-0.14806633	426.15063	40696	44282	36935	34805	17075	20777	28177	57569	25805	31805	20715	34210	28152	11195	47858	49972	38218	37362	42618	35963	38616	70802	42669	54608	28358	0	26466	13216	44635	40826	38655	48461	52532	35146	44932	35656	58229	40228	51374	43043	37731	27432	0	0	0	43571	36876	0	41443	45886	42179	34987	22301	0	39798	13871	19627	50830	59777	37077	60047	30489	33302	31026	21616	30518	27324	54546	0	8681	8640	45910	38791	37813	26293	32865	0	33247	37301	19162	30141	23549	25354	13690	15458	17983	37614	27508	32266	60471	30130	48237	87838	23064	30324	0	43281	39715	13573	12041	14410	64338	33981	46593	28445	56572	16208	0	28476	40331	Peptide	0.5	1.2777778	0.16666667
6	C18 H23 O9 N3	426.1507	426.1514	-0.05124092	426.1507	38475	37077	37294	34832	17635	14356	21460	39613	23093	26062	22897	30877	30509	7212	28138	44974	44518	33715	38556	26507	35006	55627	33884	47226	13293	1800	15018	17711	27768	30971	31957	33659	45542	28278	43938	35476	43231	25785	48972	27639	42329	20724	0	0	0	32175	47331	0	42115	33576	38170	34714	22193	0	31913	15067	17681	41878	32651	38899	46795	21042	40183	29767	16804	26406	27387	59223	3929	8330	9952	32495	31067	27359	18814	25895	0	24690	22721	15498	21311	19261	16025	10087	20800	17201	28867	29394	27948	70127	61813	50204	65285	26694	28145	0	36130	35556	12905	15355	16499	42880	26321	37153	24635	41522	16091	0	19724	44743	Peptide	0.5	1.2777778	0.16666667
12	C18 H23 O9 N3	426.1507	426.15128	-0.12957181	426.15067	593991	640587	613290	577481	230042	315613	464171	668901	501388	1206303	655844	353324	503821	206784	497562	326688	444689	631392	688917	1263640	1266568	1024197	595299	614802	305738	523874	317498	448809	540631	476691	531901	511079	663027	481288	2205908	543136	524469	463255	491012	1241543	886769	319414	9856	858	829	794717	931677	775	488061	598828	601783	587845	360077	1185	716248	352542	259057	532556	659385	613314	661801	729671	686773	506002	212283	497996	349894	477988	781823	795097	796874	541503	530518	579970	238271	493066	346	421499	454810	438536	485963	775687	377494	477191	439948	175776	243923	126024	343060	504052	407319	600697	671861	619846	715557	3070	646537	426443	442304	161646	306069	606207	379438	649340	782723	517992	383011	692	352664	679869	Peptide	0.5	1.2777778	0.16666667
2	C18 H23 O9 N3	426.1507	426.1515	-0.045796104	426.1507	7852	7956	5557	6189	6137	0	3874	6245	7942	4401	7206	8080	13046	2178	5798	867	9361	9735	10347	3232	7748	12171	6916	6829	1549	324	0	7079	9172	3141	7327	4897	11405	6301	6377	4405	8036	4673	9416	5285	10295	5332	0	0	0	3391	5723	0	6514	4051	7065	7435	8588	0	9219	5418	3648	8885	3824	5169	1765	2821	15866	9735	6823	11622	8608	11006	0	1086	1577	5948	5806	4510	472	5589	0	5184	6772	10260	4614	2596	2648	1751	7456	4138	7033	8912	9107	16730	25281	11288	19198	10208	796	0	6585	8124	4284	7627	6267	6816	5737	4221	3985	8489	4621	0	4117	16952	Peptide	0.5	1.2777778	0.16666667
8	C18 H23 O9 N3	426.1507	426.15137	-0.08563402	426.15067	42517	50973	35746	48538	21451	18789	22712	52363	31202	39703	25204	38398	34655	8564	43238	60115	51248	37678	48214	39960	46886	76878	48903	60392	21074	1196	25933	19257	39384	42896	43748	52270	58913	38058	52927	44200	59462	35105	59790	48223	50984	28497	0	0	0	53869	51007	0	49186	46898	46859	45526	25874	0	41041	17214	25419	49621	48963	45162	57948	36783	43514	41982	23831	32311	27128	65077	6132	8603	11981	47410	43909	40347	31649	42336	0	35050	37920	24221	28459	22848	25663	14142	22983	16398	35940	35558	36783	80745	37933	71899	95435	37570	36460	0	47608	47755	18129	16293	16416	59914	35263	62601	28061	53279	24006	0	27306	46396	Peptide	0.5	1.2777778	0.16666667
4	C18 H23 O9 N3	426.1507	426.15146	-0.08481886	426.15067	11369	12817	10227	11579	7723	4891	5489	10415	9205	8133	9826	8491	13821	2956	8020	11984	20819	11596	13379	6502	10229	19761	10121	10318	3983	675	7344	4379	8087	7902	8691	8875	12860	7527	13909	7635	11903	8085	23346	8977	14254	8431	0	0	0	10347	16579	0	11069	9323	10323	9539	6522	0	13623	8308	4385	11673	8807	13423	11870	7463	17398	12466	8666	11795	7576	18688	2102	1773	3415	8945	7789	8491	4055	6977	0	6287	9321	10584	6974	6458	4717	3099	8778	6658	9482	8107	9869	18697	17702	15101	25107	10412	8208	0	9711	12173	6642	9452	9655	14419	7762	12658	7390	13962	6935	0	5157	16312	Peptide	0.5	1.2777778	0.16666667
24	C23 H23 O7 N1	426.15472	426.1552	-0.033232123	426.15472	6010	7508	9836	7860	5189	3393	1391	2338	5977	25571	25639	2622	5572	2506	3474	4811	3407	7165	5955	16372	25516	14403	2620	5539	3631	32897	1306	21197	4577	2193	1734	3090	5016	1360	32164	2575	3365	2259	2571	20544	29598	4039	0	0	0	18653	20128	0	2232	3005	9344	8296	6743	0	3585	4777	0	4542	3878	4115	4306	16681	5783	6132	2064	5642	4144	5430	33588	31974	50303	3659	0	2004	2373	2067	0	1341	5172	15852	2911	12420	1897	16302	6438	0	3243	4982	5306	4441	4106	6463	7527	16202	18607	0	7757	6352	3853	5318	3630	3996	1983	4189	13039	7057	4475	0	2592	6810	Phytochemical	0.3043478	1.0	0.04347826
10	C23 H23 O7 N1	426.15472	426.1553	-0.08207969	426.1547	7484	6022	8063	8406	4034	4034	2393	2225	4404	34944	23874	1948	4243	6891	3728	4092	5130	3668	8149	38320	38019	11135	3707	3825	2909	49073	2620	17631	3572	2879	2808	2866	3833	3177	42449	3511	3926	2526	2889	23374	19564	2869	0	0	0	13544	16830	0	1659	2962	9030	8103	4989	0	3976	3106	2488	6494	0	0	0	12270	5185	4403	2126	6603	3921	3396	41754	58763	64349	3092	2372	2011	1954	2178	0	1730	4680	10079	3685	5985	2718	12791	4001	3762	5295	2759	2516	9023	4965	5421	6398	13387	20638	0	7395	8325	3549	3960	3461	3824	1978	5337	0	4204	3482	0	3930	7893	Phytochemical	0.3043478	1.0	0.04347826
12	C23 H23 O7 N1	426.15472	426.1553	-0.089599445	426.1547	9253	7843	13918	9917	5765	6384	2794	3306	5098	37202	31808	4584	5676	4557	4311	5595	4169	5421	8271	35343	48101	18687	5036	6436	4091	63619	2225	21876	3000	1798	4279	1933	6462	3720	48190	1904	4995	5235	7097	23369	37290	2638	0	0	0	19148	27975	0	5260	4578	9604	8879	6885	0	3231	4999	3740	5930	0	0	0	12526	10658	3405	2552	7936	4742	0	54008	82691	96505	3514	3253	2513	4764	4002	0	4234	5855	0	4759	7092	1992	17985	4442	4292	7509	3600	3535	18217	12783	9007	8310	14081	21839	0	9658	10069	4380	6517	3684	3875	3330	5233	0	3578	4727	0	5319	8084	Phytochemical	0.3043478	1.0	0.04347826
14	C23 H23 O7 N1	426.15472	426.15527	-0.08514129	426.1547	18897	13226	17135	14370	7918	4859	5692	6079	9319	48843	39184	4197	9620	9398	7501	9214	7416	9042	14930	42912	65049	17721	6333	9732	6324	86722	6437	39246	4985	3740	3275	0	9563	4297	57401	4922	5725	5017	5026	38619	49960	4474	0	0	0	19081	35528	0	3021	4651	13401	15258	6329	0	8781	5964	4828	7998	0	10928	0	27191	15425	8529	4551	8969	6957	8219	73450	91255	121466	4706	3581	3614	7177	5068	0	4402	11613	22771	5980	14038	3591	26963	10357	5409	8091	10574	4640	19530	20548	13976	17910	23903	32800	0	18531	12386	6593	6409	8258	7800	3997	10337	0	5746	7389	0	7421	12204	Phytochemical	0.3043478	1.0	0.04347826
20	C23 H23 O7 N1	426.15472	426.1552	-0.054847717	426.1547	31712	34182	27410	32130	18753	17622	8076	12932	26984	94392	81344	9683	22447	18307	8363	14171	12114	27204	25005	83055	93024	44032	14655	17886	9047	138238	7635	67989	9169	9002	9111	10407	15986	10281	102598	10790	18341	5998	9843	88947	86073	11985	1271	0	0	46504	55269	0	12607	10062	34199	32085	16930	0	14245	17391	10075	15414	11609	11907	12791	47099	31255	13124	11699	26479	21817	16258	121342	145291	172482	8809	9003	5337	7045	9631	0	7042	21638	44663	8251	28317	11708	65609	23348	12734	21183	16775	13897	33330	37732	38140	32609	61741	55765	0	33240	28485	17666	16441	13655	19672	8416	20293	35966	19198	18655	0	13044	30760	Phytochemical	0.3043478	1.0	0.04347826
18	C23 H23 O7 N1	426.15472	426.15524	-0.0672762	426.1547	32696	34121	26917	25025	21210	14708	5797	11883	21106	93222	76749	8633	17659	18922	8424	18809	12684	24837	25791	96183	89210	49427	13021	17071	11607	134266	9071	73653	8545	11436	7780	12546	19949	9143	97156	7083	14410	7483	10977	76959	78260	13523	425	0	0	42150	39176	0	13556	10624	34616	26525	16622	0	17248	14159	10215	17765	10326	13655	18334	36693	22705	19937	9705	23471	20080	12961	124369	155804	188375	7956	8706	3621	5805	9564	0	6227	20621	41212	10004	24906	11818	43657	17496	12631	21222	17472	14471	37669	28191	36013	30481	53190	69180	0	25370	22903	15126	15433	15942	12964	6483	22500	23942	19250	16674	0	13636	25638	Phytochemical	0.3043478	1.0	0.04347826
26	C23 H23 O7 N1	426.15472	426.15515	-0.067970484	426.1547	3964	2908	2026	2476	0	0	0	0	0	11455	5234	0	0	0	0	0	0	0	0	0	6071	2144	0	0	0	8977	0	8201	0	0	0	0	0	0	8023	0	0	0	0	6508	11373	0	0	0	0	0	8154	0	0	0	3144	3329	0	0	0	0	0	0	0	0	0	5516	2276	0	0	1614	0	0	12522	13642	21322	0	0	0	0	0	0	0	0	0	0	4110	0	4746	0	0	1866	3499	0	2303	0	3084	5314	6867	8385	0	3413	0	0	2169	0	0	0	0	0	2319	0	0	0	0	Phytochemical	0.3043478	1.0	0.04347826
22	C23 H23 O7 N1	426.15472	426.15518	-0.103071764	426.1547	22264	18679	20505	22055	12689	11995	4189	8941	18181	62226	61922	4420	13472	14771	5018	12238	6936	15944	17523	47303	65860	33013	5914	7465	7912	81645	4259	56756	6466	5784	4891	5038	11913	5824	59803	5180	10907	5105	8552	53962	52025	9246	0	0	0	41053	41656	0	8200	6640	17984	18328	13727	253	10127	7956	4912	7799	8232	11010	10351	36445	17225	11346	7735	13397	14259	8156	89939	95650	121944	10876	4557	2803	5053	7074	0	4915	12602	33934	9390	27958	9395	38701	16364	7586	14892	11150	10537	12692	13077	16677	14022	45102	43349	0	18530	20573	12922	12273	9172	9596	3948	14080	28082	11784	11733	0	9186	14928	Phytochemical	0.3043478	1.0	0.04347826
16	C23 H23 O7 N1	426.15472	426.15524	-0.10301377	426.1547	23649	26167	19510	21439	15429	12939	6899	10329	15784	76451	53390	7581	18707	11379	5353	11337	8844	15524	21181	76542	72508	39362	7383	19537	8545	94669	7418	50703	8098	7146	4323	10296	13349	7276	70366	10842	14818	7486	9275	51742	61925	9186	304	0	0	35202	35203	0	10352	8194	20842	18415	13368	0	13226	10496	5374	16226	6840	13555	10969	29308	21262	13427	8081	16976	9964	15178	93307	127680	160865	7205	7859	5037	11123	9304	0	5788	15322	28470	11149	22373	9179	43102	16514	9774	16476	9277	10168	24807	21539	21586	0	38889	53967	0	20601	21492	13549	11647	12708	11445	5180	13656	14764	12988	10287	0	12055	15362	Phytochemical	0.3043478	1.0	0.04347826
22	C20 H27 O7 N1 S1	426.1581	426.1586	-0.02998265	426.15808	7236	9603	6875	5679	5183	3735	0	2691	5531	26205	9459	0	3292	0	2611	3633	1674	5192	6182	20267	21844	19213	4742	5229	4773	16524	0	12014	3980	1852	2082	0	3327	4244	21230	4563	4695	1684	4366	19675	13675	3697	0	0	0	12477	10711	0	5904	4516	7306	6618	4116	0	4541	3308	2145	7911	8719	4953	2745	13093	3694	2142	2606	8379	4388	5468	14706	28936	13694	0	3234	1890	1784	1278	0	2108	0	8270	3438	6065	6081	10204	3743	2576	4772	3866	2572	6138	19519	24994	6854	10142	26477	0	8034	7578	3943	5998	4177	4580	1634	7924	11783	5151	5680	0	2784	8057	Organosulfur	0.35	1.35	0.05
12	C20 H27 O9 N1	426.17587	426.17645	-0.053661514	426.17584	292976	296201	295120	287342	167137	161403	276422	1081436	219017	453672	257408	243902	261479	103406	650608	334534	335786	315417	372516	707174	719655	452393	382157	419689	282197	569026	162942	254221	460613	363904	761928	321572	376012	319521	679946	398738	311967	274901	299868	486331	391178	194405	8372	1291	649	477727	411076	860	330480	409317	298089	284552	179618	1633	327995	194074	133803	312313	439795	355700	393186	352295	275911	227975	114942	220410	186685	308520	610448	599215	514290	371659	356374	430057	255212	296919	520	309816	268006	216741	268979	309012	578222	277273	246265	168622	241127	143547	197116	301478	464642	696326	812458	234879	291325	3320	323638	433222	192892	135445	171021	366750	242526	425142	357074	289663	206472	943	231336	287182	Lipid	0.45	1.35	0.05
6	C20 H27 O9 N1	426.17587	426.17648	-0.10200413	426.1758	80594	86408	73244	83776	23764	27810	43146	94544	26787	71582	34701	51610	41821	14413	33181	92510	52776	62454	81336	125562	173188	131506	66566	112088	41474	21937	38602	29818	41426	86438	72708	95722	95578	78574	185486	84162	48560	49434	74248	47850	108914	24160	0	0	269	51191	54682	0	91126	88464	82122	81388	22217	313	41603	23823	14817	95628	78250	69114	49309	39991	44986	36527	12620	36300	26213	81778	30445	37639	39691	41956	37525	37386	19482	72718	0	26597	26067	25373	43386	55862	51562	25012	26400	21126	53012	38972	49548	76598	75604	53877	110898	35047	50204	322	89898	79112	17813	22304	24068	45445	25377	57760	32871	76548	21640	0	39840	89874	Lipid	0.45	1.35	0.05
26	C20 H27 O9 N1	426.17587	426.17633	-0.1066046	426.1758	16003	17184	15597	12358	17869	10016	3256	16137	15604	30023	13609	9956	29281	5228	13259	23554	7502	19835	16579	31870	41521	15657	15888	16647	7461	24998	3819	7008	11643	12644	11087	9847	13142	12610	30053	13703	10847	7993	7628	16810	20317	0	0	0	0	18408	21708	0	14935	16339	15644	15764	8964	0	17345	14878	6875	13238	6717	9379	14341	11931	19587	14033	4861	15193	5437	7851	27431	47585	36854	15117	13225	11108	11953	10868	0	7912	13070	0	10525	8636	8394	10538	15677	0	8967	9380	10447	8128	9239	7525	15179	5494	11735	0	14702	14233	10556	11994	12750	14683	10013	8011	7445	9373	6601	0	7638	25876	Lipid	0.45	1.35	0.05
8	C20 H27 O9 N1	426.17587	426.17654	-0.07139334	426.17584	345826	410111	301277	357579	103156	94958	94887	426935	109480	560254	274234	234901	162743	48800	275605	388512	135171	113778	316154	618306	623300	527804	142906	455293	96689	127052	191683	204860	368380	323364	316244	369209	328361	304066	716122	332904	347226	238349	281774	498876	381888	88853	3022	0	606	217738	213136	0	387660	387535	345636	350530	177648	740	162286	94515	68520	158449	327629	275794	211502	150295	144928	122898	56384	118005	182191	140038	164348	171145	192738	343844	323913	347642	113627	315839	0	222899	262184	116334	217864	226381	250896	124412	108258	57654	215242	78333	200844	314502	160750	433824	436312	129432	423926	1144	339125	367209	89422	104447	88086	344721	103328	535827	117724	303509	94594	0	188564	148206	Lipid	0.45	1.35	0.05
28	C20 H27 O9 N1	426.17587	426.17633	-0.11297008	426.1758	11384	8563	11381	10108	9738	7409	3488	11827	8175	23315	7496	4731	14166	4159	9007	10877	5681	13204	12345	29852	30807	7263	10972	13420	5057	28949	4406	8489	8576	7932	6445	7062	9871	9862	19168	10817	7344	4967	6361	14431	11242	6121	0	0	0	10223	11877	0	10463	11214	10011	10392	5975	0	10923	6568	3992	9045	4477	4844	12773	9140	9901	7943	2975	11111	5766	6695	23610	44123	38431	10294	9283	8003	8508	6760	0	5215	7237	4182	8607	7715	6345	11323	11120	3704	6152	5120	4910	5721	6039	9051	11333	3173	8331	0	10215	11443	5071	5811	8024	9242	6041	10672	7047	7911	6329	0	5423	13165	Lipid	0.45	1.35	0.05
4	C20 H27 O9 N1	426.17587	426.1766	-0.08742222	426.1758	12318	29928	13083	13247	7628	13763	5935	12943	11589	15717	11394	8468	34018	4360	19994	11637	12090	11308	27346	19075	22244	19520	22112	15590	6160	5895	7783	6713	10940	9726	21900	11115	15923	8336	27120	11416	14624	7562	16420	14775	15187	10493	0	0	0	13873	17338	0	12190	13457	13069	11288	9377	235	27594	9611	5499	29132	11631	11901	13068	11403	14816	21386	5267	12483	7407	13574	11254	9379	8290	10702	9855	27182	4300	20758	0	19552	19946	7857	8634	8807	7841	7319	10152	6655	9027	6755	9231	22390	13220	14550	36502	10938	14749	0	12897	13208	6510	10919	11762	14702	7913	18611	9273	26476	7585	0	6222	34288	Lipid	0.45	1.35	0.05
10	C20 H27 O9 N1	426.17587	426.17645	-0.081028715	426.1758	369856	328234	333430	294852	82665	84918	219022	472670	106543	533322	133270	244444	135538	62974	293826	385176	274446	141814	160783	697538	310316	458196	310106	463452	252744	227386	227082	116605	373032	395184	322816	388454	387924	326878	637576	401106	369694	239872	287704	237434	407100	95645	4389	863	479	231776	211031	478	356754	408114	331990	353880	86691	1822	156878	85484	59062	352246	198866	153272	234620	145935	114084	101819	59266	100699	85784	288662	220125	227073	222290	376776	358766	414654	128445	322602	532	248782	274368	107022	246230	278624	277564	121368	109555	77581	210986	162432	92160	300506	274148	337110	462002	247230	350408	1607	327472	406808	83764	74582	88610	380422	233734	268124	153939	311474	91923	0	224606	134956	Lipid	0.45	1.35	0.05
24	C20 H27 O9 N1	426.17587	426.17627	-0.15339835	426.17578	37102	26629	30738	32912	33845	26403	10788	32936	33277	66388	24597	22172	61856	15630	29808	0	25353	45161	38141	64282	69277	29568	35920	0	18397	55225	10479	18946	0	27037	21499	21987	23597	28885	43745	29334	0	17253	19397	37449	39277	18121	0	0	0	37438	48468	0	30600	31402	32872	24018	25640	0	43765	36250	17511	0	14591	15440	33355	29415	45172	30090	10699	0	15118	18952	51513	81898	91195	30711	32171	29955	23823	23204	0	24111	27017	9806	29777	22691	13697	23665	44456	18899	21979	14962	20526	16712	20354	18607	33542	17024	27809	0	32751	37141	26775	28576	31692	29011	19347	27681	23659	0	24013	0	20082	55333	Lipid	0.45	1.35	0.05
12	C19 H27 O8 N3	426.1871	426.18762	-0.16845234	426.187	21212	21009	23271	21371	9944	10786	23334	37537	8455	12539	5497	15006	8705	3895	28168	26188	23129	17751	18268	25725	12147	34663	28163	30286	31265	0	11622	0	33711	21890	26062	27188	34483	23945	26380	25779	23819	22937	20878	18130	10377	11200	0	0	0	22584	8069	0	32467	29474	23886	19138	9606	0	17722	4878	9769	30697	38301	11723	0	13269	8844	9609	7562	14327	15726	23268	0	9826	0	25921	24978	28223	16209	24697	0	22833	21021	23009	15023	11586	21048	9496	6856	8246	25034	12747	14586	44716	29765	46760	53247	8173	10992	0	22940	20734	3222	3627	3049	38811	18583	19636	0	34380	4777	0	20236	17406	Peptide	0.42105263	1.4210526	0.15789473
6	C19 H27 O8 N3	426.1871	426.18777	-0.11682434	426.18704	33528	35959	32220	34909	14226	15957	19778	36144	17371	25261	11690	19302	24004	7674	32272	38585	21990	24420	33018	32534	35433	43606	29962	49855	26136	4214	16284	15567	37377	31973	35327	36730	46091	28476	39414	36076	44982	26543	32268	29091	24846	18826	0	0	0	26591	26256	0	45045	31913	33440	33347	17338	0	25504	9599	10418	42699	31602	16578	46125	15587	21158	20668	9750	23142	20224	35261	3836	12367	10983	33387	30604	30022	14306	24935	0	22966	22076	13353	21305	15108	19723	15228	12736	16987	27139	19489	23142	44839	67344	60711	70532	19982	23360	0	33202	29403	10559	11091	11478	36922	21257	37746	17745	35627	9537	0	22505	29076	Peptide	0.42105263	1.4210526	0.15789473
8	C19 H27 O8 N3	426.1871	426.1877	-0.14964695	426.18704	39086	45999	35743	44167	13804	14337	22217	45260	17286	30329	14190	24218	22584	6081	37306	46281	28050	23145	33611	33672	29322	63318	34285	58951	32131	3125	24659	14130	46729	33815	39319	47098	49060	37663	49114	40036	49592	34860	32056	40876	29227	20477	0	0	0	41254	26957	0	49042	34648	33739	40902	18181	0	28473	10205	13457	47903	36415	24344	44381	20637	21673	19843	10871	21143	18327	34959	5258	16218	6461	42632	35097	33243	22397	31502	0	30211	26272	16712	23287	16769	27786	16931	12376	14405	29354	19497	23786	52032	60277	86285	92738	18798	31915	0	35489	30700	12959	10439	9877	40378	26162	59805	16306	51572	12687	0	27746	29309	Peptide	0.42105263	1.4210526	0.15789473
4	C19 H27 O8 N3	426.1871	426.18784	-0.10218646	426.18704	15196	19139	14827	17025	6795	12095	7019	18613	9594	9070	7422	10409	14676	6086	15213	18334	14745	13786	16766	12458	11260	26257	14234	21504	12327	1518	6513	29125	15011	12701	15259	16591	21777	13407	15845	16268	19684	10915	22374	14166	12073	11148	0	0	0	12250	13810	0	17086	13798	17931	15143	9580	0	16077	6665	5694	15491	14060	10913	17282	7800	15263	10271	4864	12756	11136	20513	3057	4255	3647	14472	12706	13073	4663	11514	0	11837	13896	18441	9442	7425	9403	5764	8479	8355	13785	8975	12999	23462	72952	47096	38297	12425	11138	0	13363	16332	7185	8134	8072	17569	9407	19651	8055	19444	5959	0	8799	14371	Peptide	0.42105263	1.4210526	0.15789473
14	C19 H27 O8 N3	426.1871	426.1876	-0.14055125	426.18704	16291	0	15966	13642	4678	5391	10547	18143	4513	8046	0	6885	6334	3616	18549	16617	7502	10599	9148	9004	5495	21688	12829	16524	22119	0	8524	9658	13668	15189	13577	26120	17886	13928	11823	22508	18161	11260	8881	8191	0	7844	0	0	0	13443	10368	0	14712	13279	10041	7627	6870	0	11349	4876	4247	22008	11583	0	0	5033	3606	4361	4913	8902	10000	9420	0	2576	2248	15529	11996	13984	13359	11169	0	13092	10542	0	7356	5793	10773	7334	2906	7838	9705	6100	7986	13159	25153	26009	35825	6325	7299	0	11218	7860	3424	2418	2910	16271	9488	19775	0	19227	4389	0	11883	0	Peptide	0.42105263	1.4210526	0.15789473
10	C19 H27 O8 N3	426.1871	426.18765	-0.16458696	426.187	80890	77841	79304	68231	29943	34672	64211	112988	42470	97419	48545	61275	35766	19897	69413	90382	53375	51887	66013	122742	88938	144554	59399	114355	70657	49837	52568	45947	92908	71836	76174	107069	124657	85946	132159	93857	128281	61405	73579	108047	60845	39628	0	0	0	81699	59304	0	95325	72737	86806	86046	38866	0	58360	18903	23006	97414	97280	42905	44273	58198	27165	33012	24926	43001	42663	74066	29226	61066	65587	90598	77878	81280	53198	75948	0	62415	68847	14741	52374	43576	57025	54825	19445	21707	61529	36382	43486	105039	122515	151870	188458	56206	82989	0	95630	74521	7841	21897	13680	100051	61520	108491	78501	95651	22215	0	68107	48407	Peptide	0.42105263	1.4210526	0.15789473
2	C19 H27 O8 N3	426.1871	426.18787	-0.123728506	426.18704	13044	12534	9096	10393	6158	0	8966	13526	7501	5877	4845	10080	9945	2911	10202	3228	12497	11304	10393	6681	9989	13305	11451	10998	5419	907	1872	7948	12762	6898	14540	12179	19477	13553	9265	10252	15637	8931	17256	6826	9719	7247	0	0	0	5423	8437	0	11107	7739	11397	12422	8062	0	10850	4056	3921	14959	8010	8531	5018	4145	8875	9319	4818	8786	8801	21404	1566	2502	3038	12178	12268	9753	1522	11666	0	8242	12044	8668	9235	3828	6350	3046	5529	5320	13113	9229	9616	27529	16184	19367	25048	7536	2016	0	9956	9001	4276	3921	5289	10470	10183	8509	5041	16152	3890	0	9542	12390	Peptide	0.42105263	1.4210526	0.15789473
28	C24 H27 O6 N1	426.1911	426.1915	-0.13518798	426.19107	3775	2803	3179	2647	1132	0	2480	4062	1560	3444	3257	2137	0	2224	0	10168	6663	0	3985	0	1884	5203	4291	8656	3347	3708	1876	4717	0	3280	3708	2313	5771	2584	1634	2585	3113	2593	6413	2608	4020	2501	0	0	0	0	2349	0	3121	3192	1886	4260	1509	0	2856	0	0	10283	1656	1218	9108	0	1921	3255	1268	1759	3699	11565	6077	2997	8062	3318	2981	0	2321	2904	0	1709	8588	3547	5147	1549	1756	1897	2707	0	8487	2621	4558	28628	1648	2501	12388	3004	2058	0	4016	2843	0	2181	0	8336	1608	0	0	15554	0	0	4085	0	Phytochemical	0.25	1.125	0.041666668
16	C24 H27 O6 N1	426.1911	426.19162	-0.19037695	426.19104	14689	16242	14755	16118	10147	4948	7154	9009	8131	29598	24604	5127	2215	5984	4560	12157	8995	2727	9952	38505	52946	20054	9565	11659	6637	66500	5467	28128	7934	8787	6673	13421	11046	6497	31888	8134	10657	7611	13021	34226	39655	5991	0	0	0	15219	21589	0	13350	7555	8270	14633	4882	0	4184	3154	4909	10608	4079	11082	13604	15328	7034	4708	5520	8875	8543	17770	70022	76557	78186	5703	6258	5965	10616	9416	0	5039	11321	21486	5973	6652	9562	32120	7874	4952	13698	6163	9611	0	21484	14502	0	17440	26401	0	13739	15147	6352	5810	4285	14747	5242	11919	9308	15168	4773	0	11197	3830	Phytochemical	0.25	1.125	0.041666668
8	C24 H27 O6 N1	426.1911	426.19174	-0.1444661	426.19104	2256	3684	3673	4431	1386	1357	1675	2835	2768	12791	7953	2432	0	0	1651	5331	3707	794	2583	15614	15924	2944	2388	4692	1984	21466	1698	5333	3259	2689	2273	2690	3721	2617	11812	1396	2971	1208	2915	6885	6182	1780	0	0	0	4124	6969	0	2928	3027	2872	4042	1111	0	1230	1633	1255	2346	0	0	0	4055	0	1404	0	1712	2623	2887	12166	21399	23518	3378	2117	0	2864	2265	0	1456	2265	0	2061	1276	0	5533	0	0	3199	1259	2335	5214	0	0	3629	6556	6767	0	2361	5278	1317	0	0	2998	1613	0	9552	2230	0	0	2121	1034	Phytochemical	0.25	1.125	0.041666668
18	C24 H27 O6 N1	426.1911	426.19156	-0.19838396	426.19104	193526	193876	184881	173689	110271	121461	111783	231323	147315	383640	171215	106195	195829	80022	168366	176382	84133	200364	227895	370602	313214	193347	163382	210217	155011	221462	90707	175926	208761	158531	176809	175553	204673	176566	399151	179090	215796	123559	93738	244261	140809	108918	2920	486	0	185184	107684	0	183664	161351	175197	172135	110010	736	236542	97087	80442	174680	185715	78404	178401	149693	204465	155520	66891	147561	118381	100747	181706	362986	272127	183040	148173	182806	98519	172870	0	128084	138247	110004	117889	101463	117474	136911	126732	104926	140875	92482	128362	130471	178219	231508	244511	97937	181240	970	200784	179766	102685	88674	91880	174260	107172	194297	88386	159587	92679	0	114069	204151	Phytochemical	0.25	1.125	0.041666668
24	C24 H27 O6 N1	426.1911	426.19156	-0.091064356	426.19107	14500	13722	12988	15138	15981	8555	5664	7584	8013	26679	40215	5872	10199	6707	6458	13013	13582	11851	15826	34246	46861	15234	8516	16924	9238	61920	1645	39234	9536	7859	8168	7049	11567	8273	30335	10789	15745	5130	10655	27457	38096	7625	0	0	0	25030	25899	0	9708	10375	11827	14490	10994	0	7820	10617	6325	12561	7986	8468	12065	23055	7507	8832	5689	12894	16128	9622	71966	53091	75998	9510	8714	5203	12124	7396	0	6102	11355	16333	7327	14896	9159	29460	10523	6928	10226	11660	12074	18168	15556	16393	20511	20787	18468	0	18153	12197	7960	7118	9419	12585	4591	13494	13793	17749	6966	0	10033	11068	Phytochemical	0.25	1.125	0.041666668
14	C24 H27 O6 N1	426.1911	426.19165	-0.10905799	426.19107	9573	13080	10184	7479	2289	3008	6090	7320	5231	21661	27449	5481	0	4326	3150	11321	7424	2326	5277	31768	36550	7874	3379	8859	4391	50670	2943	19257	4740	4873	5593	0	7280	4438	38297	6571	3199	4082	8518	25393	24560	4549	0	0	0	11562	11067	0	6487	9270	10376	9888	6106	0	4447	3027	2627	6567	0	0	0	10980	2702	2864	2933	4271	5268	10686	40677	72472	57434	4463	4935	3111	5971	3635	0	2705	6078	21636	5545	4777	3523	19081	3629	0	6965	4939	3370	23646	15715	6706	13630	13486	15681	0	11351	11477	4597	2132	2511	5267	4838	4556	0	6325	2461	0	7714	3002	Phytochemical	0.25	1.125	0.041666668
26	C24 H27 O6 N1	426.1911	426.19153	-0.12637061	426.19107	7023	6664	8703	7326	3146	3692	1833	8307	3652	7093	12661	6663	0	2147	8248	12193	12338	0	6765	6790	7708	11881	8322	14868	7049	11550	2099	8421	5252	6372	4356	0	10490	4576	7765	0	7522	5396	13590	8170	12954	0	0	0	0	6169	6528	0	6047	6240	6895	8909	3878	0	0	0	0	10673	3526	6677	15863	5871	4178	3458	2814	5680	4874	15746	24005	18859	23918	4147	5477	0	7847	3803	0	0	10692	5352	6959	4164	3687	7059	0	0	12064	5116	4496	46157	7517	8071	37288	6558	8329	0	8550	6857	3215	3696	0	6812	5890	8726	5861	24913	0	0	6539	3718	Phytochemical	0.25	1.125	0.041666668
8	C17 H31 O11 N1	426.197	426.19778	-0.09567834	426.19696	0	4061	3177	4199	75079	7771	5311	5024	3258	1664	0	1749	14904	76111	2861	4434	2461	5197	8244	0	0	1703	3555	6061	3505	0	3132	3055	5270	4633	6441	8285	10677	7975	1933	7654	11311	3062	3457	0	0	9786	0	0	0	0	0	0	6354	2909	0	0	36197	0	2845	5478	5456	9596	1209	0	8389	0	2832	2305	5928	16645	20096	3313	0	0	0	5371	7714	3714	1927	5129	0	2642	2302	3272	2345	0	0	0	10548	0	4035	3571	3888	8108	0	0	6052	0	0	0	3933	0	2809	2183	2574	5991	2135	0	0	5670	28758	0	2784	4313	Unclassified	0.64705884	1.8235294	0.05882353
12	C21 H31 O8 N1	426.21225	426.2128	-0.13527137	426.2122	78474	84764	87109	83184	45257	46767	88284	174881	52937	97872	65677	77403	61580	27225	95579	104029	120760	77139	109869	157339	155856	112591	115981	125467	97896	119870	50047	52881	142026	99971	120067	91874	115004	85739	146907	122076	84855	86995	111295	114227	84370	57096	2561	423	281	112493	98263	0	99786	116208	79206	71526	55085	715	82455	48825	38551	103073	106996	99797	103167	82222	67322	52794	30328	59383	61103	116298	108240	136191	122879	91902	85622	117104	74263	85617	0	92957	89141	84918	87536	70042	82751	64767	60082	45811	79970	38289	56811	126437	121895	120591	153754	71902	70339	551	91725	102996	49346	45720	56231	119525	72808	113763	61606	93615	56646	0	78101	70508	Lipid	0.3809524	1.4761904	0.04761905
28	C21 H31 O8 N1	426.21225	426.2127	-0.10132071	426.2122	7328	7562	8991	7949	6734	7027	3800	8154	7791	14190	4553	3087	15276	5006	6287	8299	3861	10214	10471	19737	22468	6440	3566	9891	3808	17378	3046	6772	8341	6999	6409	7615	6057	7771	12925	7997	7208	4054	5969	9699	7296	4159	0	0	0	7937	5228	0	8075	7633	6810	7941	7626	0	8080	7025	3011	6649	3223	2672	10907	3932	12443	5866	2658	10665	5741	6149	17819	33832	26778	8145	5818	6691	6012	6341	0	3627	6752	2947	4211	3163	4675	5121	6318	3205	8041	5943	4374	6993	8789	10258	12382	1963	6098	0	7803	7205	4101	6765	5654	7407	4583	8232	5703	5535	3536	0	4644	13349	Lipid	0.3809524	1.4761904	0.04761905
24	C21 H31 O8 N1	426.21225	426.21268	-0.13975884	426.2122	73686	71003	67872	66872	79548	59238	23253	68744	66121	125938	50925	38833	136158	41603	56227	68099	38760	114692	106412	122595	129482	62961	57774	0	37720	107096	22809	40557	61636	52104	47796	58946	57501	57516	120005	60975	69668	36611	40393	77805	60703	39742	2712	0	0	78262	62357	0	0	53451	67518	64452	50435	0	95157	70554	31119	67355	41893	27234	67777	53428	90659	74571	27550	91410	49940	34108	100040	164802	148075	0	0	68509	44161	45375	0	48761	59328	23433	51457	40454	32554	51288	72059	46235	51056	36429	41941	35398	58659	57278	82020	27315	69981	0	69426	78223	39893	61042	69389	63169	33122	69945	47374	57262	46091	0	36403	102810	Lipid	0.3809524	1.4761904	0.04761905
4	C21 H31 O8 N1	426.21225	426.213	-0.10423917	426.2122	9124	10323	9853	9560	3494	5495	5244	14453	5601	10570	5137	6936	7448	2523	10845	10872	8007	7233	7161	13955	13865	14555	8662	11563	8051	5999	7174	5374	11046	10991	12302	11334	14302	9458	13950	12675	14976	7387	11533	9751	10062	5830	0	0	0	12225	9990	0	12750	12712	9696	8972	5954	0	6670	4233	3256	12453	7239	4595	16142	6270	5633	5053	1992	7423	4887	9486	5280	8448	7385	9839	9912	13267	7186	9727	0	8967	6514	8615	6567	5225	7169	7235	5337	4557	9224	3939	5188	11620	18488	26868	19857	6918	10697	0	9077	11666	3901	5271	5187	12358	6295	17681	5848	8496	4151	0	6792	7082	Lipid	0.3809524	1.4761904	0.04761905
14	C21 H31 O8 N1	426.21225	426.21277	-0.15795475	426.2122	177914	179472	177579	181787	118958	101051	154182	312355	120985	193288	126443	145408	152951	76530	216754	269267	228930	174627	207257	342600	339206	210284	233291	336259	203708	307353	127384	130274	268280	264752	187218	236142	239476	179292	215981	256426	202862	168044	190881	200085	201453	149058	3926	540	368	240844	215058	487	216077	264371	178197	165011	116076	1302	191696	133824	85191	228499	212436	184938	326912	148316	139999	128993	85858	130106	119345	184572	279665	293947	249002	186027	203145	301173	229274	206060	342	180314	185473	139003	171386	137989	151935	118513	159110	115257	165435	107894	129762	196696	203078	181312	305820	128762	190542	1991	182742	245425	101626	117634	140416	278876	150622	332839	150068	184534	132636	413	144250	129152	Lipid	0.3809524	1.4761904	0.04761905
12	C20 H31 O7 N3	426.22348	426.2239	-0.062676646	426.22345	16970	2665	4726	5426	8592	10637	17108	27003	5004	17779	9487	11317	1147	4949	19479	28948	31264	0	13644	30840	22050	19880	20739	23957	21851	22855	22335	0	34465	11860	24810	20051	38030	25214	31454	19566	28298	22394	21584	18630	0	10343	0	0	0	3954	0	0	28735	17773	1919	23316	8946	0	1655	0	3880	29494	0	0	0	6728	9488	7096	8043	0	10274	7600	0	33003	25082	19285	23349	23897	29363	23173	0	12999	21146	0	10983	7540	9216	5404	0	7444	1778	8302	11805	51674	50673	36964	65316	4262	7881	0	25238	19428	0	0	0	31842	19182	18496	0	45710	4080	0	13576	8024	Peptide	0.35	1.55	0.15
6	C20 H31 O7 N3	426.22348	426.22418	-0.067252755	426.22345	8398	7219	9688	6608	2197	4602	5493	12859	4161	4473	2358	3545	5550	1995	8347	11634	4274	5091	9206	7942	9011	10541	7224	15789	10087	931	5072	2483	12494	10295	11698	8984	15551	9966	7345	9550	14528	6078	6612	5258	3617	4345	0	0	0	5745	3008	0	13003	8718	6268	8261	4060	0	6153	2227	1529	15133	3472	1621	14352	3656	3998	5275	2211	5012	3920	10798	0	4285	2867	8022	7599	8432	3943	7954	0	4510	5294	3762	4527	2952	4873	3274	2702	3000	8922	4174	4292	13038	15796	20421	21887	3519	5584	0	8159	7595	2009	1805	1756	9905	4858	10772	0	10688	1944	0	6116	5493	Peptide	0.35	1.55	0.15
26	C25 H31 O5 N1	426.2275	426.22794	-0.15362932	426.22745	15025	10637	11605	12707	8448	3319	12723	13773	4344	9524	17035	6551	3676	7915	18595	16759	6685	0	4803	12569	11277	10964	15671	30812	41333	28853	3477	20935	14463	13083	12434	10988	24392	11578	8342	14797	16001	15751	7150	11998	20162	8382	0	0	0	9159	6501	0	9124	13887	11772	8855	9907	0	7676	0	5496	26720	5728	3869	21753	8329	5315	3367	3555	8425	13644	9939	34176	21174	27517	6442	5778	9399	0	10867	0	9980	29166	12940	23791	7473	5993	13817	6318	0	44579	10981	10381	38569	11842	10104	33973	10649	8209	0	12143	13017	5963	8495	8431	25161	7856	9025	7745	31606	5884	0	41709	3707	Phytochemical	0.2	1.24	0.04
20	C25 H31 O5 N1	426.2275	426.22794	-0.20676091	426.22742	12678	11635	8040	12129	2827	4537	7622	10987	4127	19307	18545	8074	4444	4099	8006	17276	18947	5954	8794	19863	27913	9173	7713	15828	8629	42230	8478	25587	8523	9713	8869	12373	13794	12268	11864	9210	10799	7874	19986	20858	31955	5992	0	0	0	8354	11443	0	10150	11706	10016	14099	3845	0	1918	2709	4097	12739	6458	17282	14028	12375	2526	3851	6487	4735	8490	22418	38642	45072	59840	7252	7765	8137	12941	10459	0	5146	13809	8032	8016	6617	5817	13814	3717	2982	13329	8743	6513	38855	14339	14757	22656	14036	15815	0	12181	10699	3273	3327	5215	14851	7967	14400	5282	9360	2372	0	11994	3060	Phytochemical	0.2	1.24	0.04
22	C25 H31 O5 N1	426.2275	426.22794	-0.1761129	426.22742	19692	22892	19319	21217	10285	11667	9524	16454	6066	16914	36729	12041	2173	7776	12022	24813	27076	5162	13436	31656	39437	16508	13185	20703	14750	82259	12172	30967	15382	17296	11509	17906	25339	21569	20087	14676	22309	9868	26513	33219	39791	11703	0	0	0	14525	30297	0	17236	17767	19511	21143	10639	0	5248	2885	6588	23419	8993	19354	21119	17059	3692	9260	5950	10748	16110	24308	58795	53675	78251	14541	14205	11232	16964	17958	0	6395	19267	24527	15011	12752	12029	20059	8894	6892	24163	13114	15645	51368	24745	21481	36533	18274	23586	0	18786	18623	7017	8292	2857	21309	9593	21078	16487	23953	7032	0	20590	6453	Phytochemical	0.2	1.24	0.04
16	C25 H31 O5 N1	426.2275	426.2279	-0.23310627	426.2274	4738	5760	4350	4346	0	2605	2561	0	1237	9691	11025	2072	0	0	1475	4365	6625	0	0	12265	16242	3275	2296	5410	1905	24591	2930	13380	2606	3771	0	5377	3611	2387	11041	3634	5568	1188	6302	6601	7501	0	0	0	0	2493	4590	0	4552	3864	0	4885	1464	0	0	0	1987	4257	0	3578	6456	1381	0	0	1484	0	3590	5118	17112	22840	22450	1941	3818	3841	5645	3199	0	1043	3556	4687	2930	0	1583	4247	0	0	3381	1352	1306	0	6183	2019	0	1563	8015	0	5820	2448	0	0	0	6802	1103	2936	0	0	0	0	4756	0	Phytochemical	0.2	1.24	0.04
0	C18 H35 O10 N1	426.23337	426.23416	0.23367734	426.23346	0	0	0	0	0	0	0	1792	0	0	0	0	1962	0	0	0	0	0	0	0	0	14651	0	0	0	0	0	0	1539	0	0	0	1609	2530	0	0	0	781	0	0	0	0	0	0	0	0	0	0	1547	0	0	0	0	0	513	0	0	0	0	0	0	0	0	0	0	1669	0	1400	0	0	0	2190	1946	2595	0	2476	0	0	0	40087	0	0	0	0	0	0	868	0	0	1125	5282	3308	0	36679	27872	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1076	Lipid	0.5555556	1.9444444	0.055555556
6	C18 H35 O10 N1	426.23337	426.2342	0.048628025	426.2334	0	1262	1638	1499	3199	3003	0	859	5201	0	0	559	3743	4825	1135	1832	0	1024	1563	0	0	0	959	1353	1566	0	689	3648	1152	0	0	986	1293	0	0	1020	0	965	0	0	0	1080	0	0	0	0	0	0	2661	0	1200	1485	0	0	4934	1414	3159	0	0	0	0	0	2286	1536	2218	2772	2579	1619	0	0	0	721	0	846	0	0	0	0	1985	4295	0	0	0	0	7079	1685	1607	1046	815	2007	25198	12705	1810	0	0	0	1267	1504	713	2354	2965	1005	0	0	0	1266	4758	0	1136	5464	Lipid	0.5555556	1.9444444	0.055555556
2	C19 H31 O6 N5	426.2347	426.23523	-0.37348402	426.23456	1359	1181	1207	1517	462	0	0	1096	531	307	0	436	0	3652	646	442	643	0	0	0	0	0	577	0	673	0	0	7234	1539	765	698	1175	1946	685	559	1122	1475	874	1082	0	0	0	0	0	0	0	0	0	725	727	0	1821	911	0	705	465	581	867	0	0	480	0	0	447	0	0	1080	1018	0	0	0	0	854	826	0	0	0	0	1080	51765	818	0	0	0	0	411	1325	858	0	3631	39047	15091	1987	4150	1385	0	1288	867	653	455	0	771	0	522	399	949	473	0	1292	0	Peptide	0.31578946	1.6315789	0.2631579
26	C22 H35 O7 N1	426.24863	426.24908	-0.16906232	426.24857	19359	19153	25187	23726	25667	16590	8605	46404	20324	25084	13528	8997	35817	25299	16867	23727	7637	28982	39864	37047	32413	22516	12781	24005	22778	25154	7025	16619	25113	16373	20578	17055	23991	20243	38695	23520	30301	13640	11478	23520	18061	16553	0	0	0	22636	10651	0	25733	26719	19925	20407	24185	0	35803	30620	10136	24766	15653	8406	19859	14963	33393	21034	10871	31337	25467	12951	27460	48649	49001	17030	14572	15255	8913	16884	0	12722	19744	7443	14470	9533	10906	16194	22144	13406	18746	13164	14917	19245	26562	31328	40797	12530	17110	0	24311	22018	11184	24791	22090	31270	6555	16424	14635	15492	14075	0	14887	33774	Lipid	0.3181818	1.5909091	0.045454547
12	C22 H35 O7 N1	426.24863	426.2492	-0.11493601	426.24857	18841	18070	19764	19435	3142	4424	21010	49439	5396	11618	9496	23063	4314	2931	22258	32535	37940	5537	8969	25608	21979	30698	22554	26335	18097	8665	13831	12704	34379	35020	41493	37808	40078	33746	26498	39022	27824	19100	43083	22135	16357	8905	0	0	0	18631	20017	0	41954	36774	23012	20305	9959	0	8457	2524	5708	36636	0	0	23412	8032	1416	5164	4369	6109	9134	42662	0	14423	6309	37840	40879	40201	27793	34592	0	27859	19158	0	17993	5877	5584	11753	3996	4947	17365	7054	11693	37215	31744	20274	31823	12869	15630	0	21592	23203	3640	5841	5470	27017	17594	26792	0	28268	4932	0	18944	3810	Lipid	0.3181818	1.5909091	0.045454547
8	C22 H35 O7 N1	426.24863	426.24924	-0.15006919	426.24857	9278	12365	10058	11867	4258	4320	7609	18506	4222	8449	5866	7261	4003	2106	9727	11836	8487	5108	5153	12701	12066	13116	7030	12027	10808	3974	8989	5177	15350	12035	13193	16264	16801	9805	14456	14021	15684	8290	10477	10537	4919	5300	0	0	0	6627	4970	0	20096	13163	9276	10436	3627	0	4797	1715	3205	14937	0	0	13966	3266	3160	1902	1589	3336	5245	10729	3749	8863	5210	11756	13812	16150	10537	11072	0	8357	7140	6136	6259	1460	2966	4184	1981	0	15682	2786	5218	20380	29316	9850	20464	4940	11398	0	12033	11790	1534	1890	2429	16662	7365	17295	0	12627	1662	0	9494	4200	Lipid	0.3181818	1.5909091	0.045454547
10	C22 H35 O7 N1	426.24863	426.2492	-0.10183759	426.2486	14858	12537	17720	10924	4431	4102	13243	24210	4544	10902	5041	30409	5494	2109	11457	23466	9497	7437	6386	17591	14282	13927	10351	15547	14794	6733	8006	3636	18434	26292	24815	22809	24198	14256	13542	21957	21338	10187	11542	11640	4129	4320	0	0	0	12657	4737	0	28115	23526	11078	14853	6227	0	4196	1655	2555	27348	0	2473	17444	5400	4111	4493	2752	4954	3272	20983	0	11223	6185	24028	17213	19717	11728	24349	0	23600	7575	5604	8334	2297	3106	4898	2917	3801	16597	5357	6013	26574	27899	13599	23940	5232	11802	0	13724	15732	2254	3021	2391	18225	23455	11955	0	15996	2719	0	11769	6858	Lipid	0.3181818	1.5909091	0.045454547
22	C22 H35 O7 N1	426.24863	426.24905	-0.14562309	426.24857	201962	176146	191710	192599	196147	186106	165177	224234	188402	248719	145314	116502	211210	123151	161660	222377	138473	292493	331769	325335	309282	186880	152867	225343	172196	230518	140565	145599	258230	195461	193860	229569	264463	203098	230974	242595	305399	132445	126927	193553	133125	148518	5821	0	0	188685	125102	0	213054	177904	194978	190096	176519	1154	272664	164188	106348	210289	159557	95006	218469	125485	230825	184454	92819	204840	178411	140230	171668	319832	224280	176797	187769	190844	146649	185758	0	147892	175341	98847	126396	93919	174516	136950	204403	130099	177534	119395	169155	162400	259862	308250	237773	118258	207148	0	201004	222711	116614	147381	153932	288533	125078	237001	112633	198049	161799	0	135816	231630	Lipid	0.3181818	1.5909091	0.045454547
14	C22 H35 O7 N1	426.24863	426.24915	-0.151743	426.24857	13890	16321	14649	18734	7283	8539	18665	30242	9478	12980	7943	19828	10110	6653	20859	28429	28165	9557	18032	21001	18726	17751	21502	20308	18311	12550	18509	8699	29737	32108	26161	31482	30575	18988	16640	31738	22358	21162	26819	12099	8912	9848	0	0	0	18657	14498	0	26200	26149	18719	18953	6300	0	7771	7218	5036	30801	6074	11095	37164	4995	11292	7899	7110	8715	14681	25679	0	11995	10424	19990	21809	35947	32050	23088	0	21132	20681	0	14054	7337	6567	7489	11764	9168	25489	6498	14214	25244	32214	16334	31080	6515	14157	0	12601	17506	5143	9140	13982	25512	18862	24454	0	20359	9589	0	15438	6029	Lipid	0.3181818	1.5909091	0.045454547
16	C22 H35 O7 N1	426.24863	426.2491	-0.20022844	426.24854	43113	46190	40862	50256	24364	25474	50731	67713	24014	25122	22092	57002	32664	14128	42260	74180	70510	29598	43835	50361	40441	36381	47248	58081	39412	37030	51990	14621	60600	92334	60216	68316	66509	49596	31148	80982	55085	39487	77814	24379	30953	30904	664	0	0	36631	35980	0	73019	61679	47293	40235	25538	452	26006	26815	21892	64933	19979	34779	55383	16511	16507	22002	14277	24754	21637	63422	30494	32529	31228	67880	62662	90566	73500	64279	0	41666	49044	26113	27871	22595	33675	23143	40105	27662	44371	23794	26642	78630	46968	39958	84665	23756	39825	0	41833	57402	19133	34716	49714	71824	40239	44989	14164	47460	23702	0	39236	18928	Lipid	0.3181818	1.5909091	0.045454547
18	C22 H35 O7 N1	426.24863	426.24908	-0.19219153	426.24854	106639	98082	105879	91427	68408	66966	177022	169932	55070	61042	71487	201416	92211	42378	139831	235683	124911	77197	116567	107952	100669	76093	90798	120832	86744	92668	168346	50373	151851	164724	129392	128884	118808	110980	64907	124829	105220	124853	113733	55791	59313	70797	2068	0	0	68801	62708	0	145358	161123	94714	91272	66892	978	79679	70977	53921	150919	56522	58956	182892	40078	57982	64153	48919	78548	74579	109943	70014	82025	99866	118928	106076	135688	161893	130845	0	149739	94822	59009	66047	39439	75408	51658	92063	70048	100204	57677	63961	376928	97859	99984	116253	46802	92147	575	107502	118137	45009	65691	86048	143184	195623	102510	39311	81162	62582	0	113311	61329	Lipid	0.3181818	1.5909091	0.045454547
8	C26 H35 O4 N1	426.2639	426.2644	-0.17928264	426.2638	3820	3863	2852	3744	0	0	6753	17527	0	0	1559	20249	0	0	17603	9525	7691	0	0	877	0	0	10960	6830	3555	0	10071	0	21924	13728	20237	22417	14802	12199	0	25955	16410	13670	5111	0	0	0	0	0	0	0	0	0	19195	17457	4679	4449	0	0	0	0	665	4644	0	0	6605	0	0	0	0	0	0	14987	0	0	0	10817	14253	12034	29437	18788	0	19021	0	0	3049	0	0	0	0	0	0	0	0	3437	0	0	2326	0	0	0	3750	4458	0	0	0	16352	17368	0	0	8552	0	0	996	0	Lipid	0.15384616	1.3461539	0.038461536
16	C26 H35 O4 N1	426.2639	426.26437	-0.1681073	426.26382	9453	8026	6116	7308	0	1486	1425	2015	0	0	3355	4270	0	0	1568	11768	0	0	0	0	2243	0	1525	0	2323	5117	3150	1933	8416	7378	5834	11781	127206	4019	0	11615	140443	2396	0	0	0	2080	0	0	0	0	0	0	5273	4704	6028	8740	0	0	0	0	0	16373	0	0	0	0	0	0	0	0	1600	19146	0	3637	1923	2923	4773	8567	17112	4219	0	4709	0	0	0	0	0	0	0	0	0	98366	0	75299	0	0	546937	0	0	0	5481	9191	0	0	0	158113	5190	0	0	297821	0	0	0	0	Lipid	0.15384616	1.3461539	0.038461536
24	C26 H35 O4 N1	426.2639	426.26428	-0.17483057	426.26382	7588	6252	6862	6858	2413	1527	13824	11251	2784	2039	7287	10085	0	2192	8686	14201	20703	1760	1733	3180	2163	1452	4237	6303	4795	17290	15007	7879	23738	19296	13043	18986	14593	12137	1929	29018	15798	8643	19680	3149	8150	3569	0	0	0	2520	3004	0	17861	10467	5747	6271	3527	0	2394	0	2160	6977	1929	3952	7195	2438	0	1542	0	1947	2583	23163	13599	6474	15237	7200	13266	12935	24714	18175	0	8720	4823	5625	5928	3000	3328	3960	1157	0	7634	2172	4428	23650	6024	4309	9902	2547	2203	0	11481	5931	2522	2095	3648	25665	9800	4339	2676	11950	2454	0	7379	1399	Lipid	0.15384616	1.3461539	0.038461536
12	C26 H35 O4 N1	426.2639	426.26447	-0.006663212	426.2639	7891	8041	7978	14158	0	0	10884	20187	0	2379	4334	22964	0	0	18741	12857	5694	0	4395	3132	0	0	10884	9919	3716	2726	12955	0	34319	29501	43186	35683	45870	27970	0	41365	45709	20716	3664	0	0	3215	0	0	0	1812	0	0	33263	19776	7657	6422	0	0	0	0	1142	16251	0	0	0	0	0	0	1560	0	1141	31869	0	2133	2058	12613	24753	19671	39395	31415	0	31428	1205	0	7143	0	0	1298	0	0	2073	2671	2558	28681	2420	0	15765	0	0	0	7468	9674	0	0	0	36735	25836	0	0	23790	0	0	4195	0	Lipid	0.15384616	1.3461539	0.038461536
20	C26 H35 O4 N1	426.2639	426.2643	-0.12491616	426.26382	3346	3772	5004	4758	0	0	15289	10576	0	0	4887	14879	0	0	12070	6999	16474	0	0	0	0	1318	6331	4979	1422	4714	12697	2556	11417	19033	9924	14120	23866	11566	0	14602	22347	12973	18353	1893	0	0	0	0	0	0	0	0	13461	22476	3546	5244	0	0	0	0	1380	2992	1238	0	2308	0	0	0	0	0	0	20589	3336	1755	3850	10000	12691	19023	16429	19022	0	17040	1653	0	0	0	0	0	0	0	0	1549	0	7426	0	0	2294	0	0	0	4788	5845	0	0	0	24211	15065	1830	2639	9822	0	0	2498	0	Lipid	0.15384616	1.3461539	0.038461536
26	C26 H35 O4 N1	426.2639	426.26413	-0.22051702	426.2638	2895	3624	5570	5294	3376	2352	2670	0	0	2165	6852	0	0	1972	0	7121	5650	0	0	4681	0	4231	0	0	5248	18622	2940	9555	9067	0	3960	4970	7481	7043	3133	0	6161	0	6326	4169	5720	0	0	0	0	0	0	0	6315	0	4435	4604	0	0	0	0	0	6902	0	3864	4147	0	0	0	0	2657	4068	4521	20766	4357	7876	3167	0	0	0	6224	0	2787	9595	7874	0	0	3302	6301	0	0	16331	2558	2397	18228	6261	5867	11226	10194	0	0	4347	5001	0	3929	5057	6514	0	0	0	6643	0	0	5805	0	Lipid	0.15384616	1.3461539	0.038461536
14	C26 H35 O4 N1	426.2639	426.2643	-0.1471025	426.26382	0	1852	3014	1905	0	0	0	7606	0	0	3511	9692	0	0	4180	3246	0	0	0	1619	3141	0	2732	0	4192	6056	7695	0	6935	13222	12830	13789	9661	11271	0	12198	7835	6298	0	1527	0	0	0	0	0	0	0	0	10857	6783	4855	3079	0	0	0	0	0	5659	0	0	0	0	0	0	1092	0	1025	5277	0	2065	0	9359	13879	9216	26606	11546	0	9593	0	0	0	0	0	940	0	0	0	0	1102	7358	0	0	3476	0	2843	0	2416	2107	0	0	0	10829	5009	0	0	9408	0	0	0	0	Lipid	0.15384616	1.3461539	0.038461536
22	C26 H35 O4 N1	426.2639	426.26428	-0.16340877	426.26382	8026	13566	9926	10498	1609	1524	32034	24202	1484	3735	6027	35355	0	0	21945	15193	46291	0	0	1719	0	3630	7087	5257	5448	8768	37939	2288	44527	42619	32616	40888	45915	26731	0	49909	45508	23715	60210	1406	1511	2898	0	0	0	1351	2942	0	29609	40833	10753	4639	0	0	0	0	2187	6955	0	3710	13492	1203	0	0	0	0	0	61844	5337	0	7050	15625	22820	31502	63932	45843	0	40182	3387	3727	13205	0	1118	1176	0	1473	4921	1580	1387	40702	0	0	23652	2084	1717	0	10364	9723	1222	0	0	60267	39437	3575	0	27584	1260	0	8709	0	Lipid	0.15384616	1.3461539	0.038461536
10	C26 H35 O4 N1	426.2639	426.2644	-0.1496749	426.26382	5724	4716	4325	4735	0	0	4376	21636	0	0	1949	33893	0	0	22989	12983	11859	0	0	2618	2299	0	9667	8415	6786	0	10644	0	33037	21539	23960	30868	24199	19529	0	35209	35799	18666	3486	0	0	1704	0	0	0	0	0	0	20936	24120	6951	6506	0	0	0	0	0	5297	0	0	9464	0	0	0	948	0	1441	26754	0	1337	0	13347	13315	22723	44859	20702	0	25860	0	0	2918	0	0	0	0	537	0	0	1261	1985	0	0	5756	0	0	0	5277	5126	0	0	0	27922	20030	2251	0	11073	0	0	827	0	Lipid	0.15384616	1.3461539	0.038461536
22	C19 H39 O9 N1	426.26974	426.2705	-0.14105509	426.26968	0	0	0	0	0	3513	0	0	0	0	0	0	0	0	0	0	0	0	2189	0	0	0	0	0	3417	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8178	0	0	0	0	0	0	0	0	1383	0	5742	333	15816	0	27404	0	0	0	0	0	0	11350	56099	12526	32234	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6965	20970	0	0	0	0	0	0	0	0	0	0	0	1873	17911	0	0	0	0	0	4465	0	3802	0	0	0	Lipid	0.47368422	2.0526316	0.05263158
14	C19 H39 O9 N1	426.26974	426.27136	0.19247328	426.26984	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	328	0	3825	0	0	0	0	0	0	376	0	0	0	0	8343	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	82353	0	0	0	0	0	Lipid	0.47368422	2.0526316	0.05263158
12	C23 H39 O6 N1	426.285	426.28534	-0.18270774	426.28494	1711	0	1700	3394	0	0	11749	5242	0	0	0	8307	0	0	0	2551	2155	0	0	1626	0	0	0	0	3620	0	25232	0	3009	7624	3750	4022	2240	3280	0	3252	2348	0	1559	0	0	0	0	0	0	0	0	0	8387	5456	2387	1717	0	0	0	0	0	2046	0	0	0	0	0	0	1865	0	0	4067	0	0	0	4333	3373	2139	2643	5254	0	5586	0	0	0	0	0	0	0	0	27771	0	0	8496	4411	0	0	0	1526	0	1425	0	0	0	0	0	5486	0	0	0	0	0	1605	0	Lipid	0.26086956	1.6956521	0.04347826
22	C23 H39 O6 N1	426.285	426.28546	-0.13562651	426.28494	12902	14320	12114	12177	14958	6047	37896	14739	9739	6025	9300	9786	13673	14242	13271	18012	21094	21252	24162	10885	13361	12394	12040	10190	15526	9369	40610	10392	19234	18260	10723	12992	24158	13110	7599	19558	17417	11823	17277	7361	7068	16691	0	0	0	4821	8201	0	18394	12354	14330	14903	13179	0	17736	16016	11839	24157	5730	6816	19616	2754	12229	15322	11172	21971	19969	21378	7704	9326	6958	7908	16118	16560	16547	13887	0	6988	18963	9424	6595	5983	23785	19502	16569	16891	20929	12893	14766	23047	28075	20403	13113	3673	7700	0	15523	13358	4744	12386	22332	27958	5959	14317	9339	10169	12271	0	13992	10448	Lipid	0.26086956	1.6956521	0.04347826
18	C27 H39 O3 N1	426.30026	426.3008	-0.21986051	426.30017	0	0	0	0	0	0	0	11008	0	0	1408	33063	0	0	0	3630	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7366	0	4532	0	0	1987	8306	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1909	0	0	4486	0	0	0	0	0	0	0	0	0	0	0	0	0	1463	0	0	14222	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9743	24160	0	0	10685	0	0	0	0	Lipid	0.11111111	1.4444444	0.037037037
16	C27 H39 O3 N1	426.30026	426.3008	-0.121212795	426.30023	8124	9059	8612	9787	0	0	0	125317	0	0	9990	456151	0	0	1731	68423	1719	0	0	0	0	0	0	1886	21532	0	0	0	7652	9542	96145	19256	60267	5378	0	16721	94131	0	0	0	0	0	0	0	0	0	0	0	9305	9183	9007	9119	0	0	0	0	4919	27007	0	0	43696	0	0	0	0	0	0	13980	0	0	0	0	2170	3943	5986	2154	0	211997	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8262	7867	0	0	0	90524	301848	0	0	139816	0	0	0	0	Lipid	0.11111111	1.4444444	0.037037037
22	C20 H43 O8 N1	426.30615	426.30676	-0.08365329	426.30612	1797	2380	2425	1657	0	0	0	0	0	38510	4539	0	0	0	0	0	0	0	0	0	4110	0	0	0	0	0	0	2653	0	0	0	0	0	0	7959	0	0	0	0	9487	6218	0	0	0	0	1966	12855	0	0	0	2398	2338	0	41720	0	0	0	0	28084	1974	2292	22864	2685	0	4463	9240	9664	0	0	0	0	0	0	0	0	0	8115	0	2624	5597	2533	5273	0	0	4907	2752	0	0	0	0	0	0	0	2819	0	0	1358	1921	1481	2878	6701	0	0	1261	240725	0	3923	0	1651	0	Lipid	0.4	2.15	0.05
26	C24 H43 O5 N1	426.3214	426.32138	-0.22096737	426.32132	2344	2930	3335	2728	0	2642	44475	0	0	0	2822	3048	0	15477	0	0	0	0	0	0	0	0	0	0	0	0	36336	5823	0	0	0	0	0	0	0	0	0	0	3315	0	0	0	0	0	0	0	0	0	3569	0	2926	0	0	0	0	0	0	4022	0	0	0	0	1826	0	4654	2991	2640	5455	0	0	0	0	0	0	0	4355	0	4347	0	0	0	2885	7270	4062	0	0	3028	8483	8120	9158	6749	3031	0	0	0	0	0	0	0	1739	5479	0	2998	0	0	0	0	0	0	0	Lipid	0.20833333	1.7916666	0.041666668
18	C24 H43 O5 N1	426.3214	426.32233	0.080702774	426.32144	0	0	0	0	0	0	0	0	0	0	0	4050	0	0	0	36861	1913	0	0	0	0	0	0	0	0	0	0	0	0	2285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2649	0	0	0	0	0	0	0	2370	0	0	4475	0	0	0	0	0	0	0	0	0	0	0	0	1976	3593	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9353	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.20833333	1.7916666	0.041666668
22	C24 H43 O5 N1	426.3214	426.32172	-0.20250842	426.32132	0	0	1347	0	0	0	4220	8067	0	0	0	6705	0	0	0	52231	19051	0	0	0	0	0	0	0	0	0	6157	0	0	18625	5851	4020	3882	0	0	5047	1572	0	16104	0	0	0	0	0	0	0	0	0	9119	17784	2220	0	0	0	0	0	0	23159	0	0	24601	0	0	0	0	0	0	20155	0	0	0	0	0	12282	8039	5702	0	4428	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1388	0	0	0	8152	5576	0	0	5242	0	0	0	0	Lipid	0.20833333	1.7916666	0.041666668
24	C24 H43 O5 N1	426.3214	426.32144	-0.14099674	426.32135	0	1111	0	0	0	0	19860	0	0	0	0	0	0	2284	0	0	1326	0	0	0	0	0	0	0	0	1424	22217	1961	0	0	0	0	0	0	0	1442	1524	1352	2397	0	1114	1519	0	0	0	0	0	0	1043	1660	0	0	0	0	0	0	0	1656	0	1810	1170	0	0	0	2508	0	2502	0	0	0	0	0	0	0	0	1025	0	0	0	0	0	734	3556	3100	1620	0	1011	1133	0	3040	1865	1508	0	0	0	0	0	0	0	0	0	0	0	1249	0	0	993	0	1366	0	Lipid	0.20833333	1.7916666	0.041666668
28	C20 H10 O11	427.0296	427.02988	-0.19847094	427.0295	5498	5345	5696	4038	11482	5760	2169	0	10778	790	0	1760	19282	7773	2702	0	0	19362	20159	0	0	2576	4076	3877	0	0	2144	0	0	0	1840	833	1370	0	2666	0	2933	3347	1564	0	1148	0	0	0	0	0	0	1096	1052	0	4835	3702	6932	0	14014	8437	4430	1944	0	0	0	0	23366	12111	3950	15217	5454	1906	0	0	0	0	0	0	0	0	0	1282	9455	0	8475	0	0	0	17164	6837	8790	4496	4709	4478	0	830	2904	0	1835	0	4848	3252	5314	11683	17208	2196	0	0	0	1770	9691	0	2852	20088	Phytochemical	0.55	0.5	0.0
16	C17 H14 O13	427.05072	427.05142	0.22830708	427.0508	1661	0	2318	0	9642	4460	0	0	7640	1643	0	0	18655	1960	0	0	0	5974	4444	0	0	0	1419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1385	0	0	0	0	0	0	0	0	0	0	1621	4428	0	5417	14305	2374	0	0	0	0	0	27961	6126	3041	13057	1900	0	0	0	0	0	0	0	0	0	0	0	0	0	1170	0	0	0	7108	1421	0	2292	2295	0	0	2208	0	3773	0	0	1749	0	7619	16501	8985	0	0	0	0	0	4609	0	0	23334	Phytochemical	0.7647059	0.8235294	0.0
18	C17 H14 O13	427.05072	427.05133	0.16770911	427.05078	8778	0	5226	0	12828	8016	0	0	26988	0	1391	3501	35619	8100	0	0	0	8802	14553	0	0	10014	0	0	0	1541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3960	0	0	0	3645	7812	1104	0	0	0	6483	9389	0	6771	10011	3453	0	0	3423	0	2976	46335	17388	5184	26781	0	0	1553	2995	1754	0	0	0	0	0	0	0	0	7894	0	5350	0	5124	36636	4284	6807	4053	0	0	0	0	0	16954	14910	0	5265	6597	15660	26739	25752	0	0	0	0	0	18180	0	0	54609	Phytochemical	0.7647059	0.8235294	0.0
14	C17 H14 O13	427.05072	427.05142	0.07605592	427.05075	2700	0	1912	1566	11065	3722	0	0	9917	0	0	0	19928	0	0	0	0	4406	3746	0	0	0	1091	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1440	0	0	0	0	0	0	0	0	2527	2024	4303	0	3381	8610	3440	0	0	0	0	0	23941	13577	2622	12105	1772	0	0	0	0	0	0	0	0	0	0	0	1588	0	0	0	0	0	8088	0	0	2116	4705	0	0	0	0	0	0	0	0	1811	6274	16818	12851	0	0	0	0	0	4734	0	0	23940	Phytochemical	0.7647059	0.8235294	0.0
24	C21 H14 O10	427.06598	427.06638	-0.15644176	427.06592	10407	10947	11076	11404	18298	10271	3208	0	19488	16941	3774	3139	30748	8318	5246	4458	2525	28472	22579	8854	12628	25664	8684	5314	5957	5339	4277	1525	2018	2787	2236	0	4581	1918	16094	0	4456	4971	2891	3607	7069	3462	0	0	0	6404	9474	0	2244	2105	8835	13027	15033	0	20018	19060	6856	3916	3736	1878	5515	4390	33768	23869	7170	25266	9494	2231	5575	6797	7520	1521	0	0	1286	0	0	2495	14956	18269	15744	6605	2240	6099	25771	15933	13440	6322	9319	5750	4085	4268	4654	28212	34016	0	8245	7245	13853	25141	22276	5298	1407	4692	6148	6099	17469	0	5224	35142	Phytochemical	0.47619048	0.6666667	0.0
20	C21 H14 O10	427.06598	427.06644	-0.15189889	427.06592	22894	20077	21642	20919	36858	17614	7870	6202	41126	44233	20371	5940	53228	15910	10668	12861	5131	38967	45136	25468	24422	45892	12823	9486	7816	12203	5938	5323	5337	2302	6670	3422	10678	3455	52081	1371	10627	9550	9522	16916	19881	16131	1522	0	671	15666	28043	615	6671	3714	24584	22419	28445	0	30913	35409	14656	9001	5495	9633	11439	14440	55843	34276	15088	35932	13478	4856	13569	12356	19214	3657	2437	1543	3341	5656	408	4387	27778	32222	21166	20282	6025	15199	52819	21129	19641	12110	19065	7932	7727	13926	11007	57441	50068	0	24750	25284	34245	36305	43472	7653	6739	7742	17330	13664	29389	0	10362	60296	Phytochemical	0.47619048	0.6666667	0.0
16	C21 H14 O10	427.06598	427.06647	-0.1018495	427.06592	16554	19423	13827	16409	31295	11437	4426	1941	29986	41790	23221	3631	40132	8850	6938	5624	2762	27328	31979	25432	30042	44245	9756	6097	2193	9874	1934	12017	0	1368	1753	0	7382	1630	64788	1729	4816	6230	3282	15262	20489	6570	580	0	0	14279	24403	640	3649	0	16984	12647	16886	0	28303	24015	11670	5253	6038	4450	0	14736	50191	24388	11303	33055	10195	5081	16052	13934	21008	2951	0	1520	2973	1842	0	3177	20666	25313	12663	18695	3997	6259	28425	15251	12315	8130	10445	0	7135	9858	0	58305	63152	0	16052	14335	27027	33092	34174	5254	3160	4298	12174	0	21757	0	1833	43716	Phytochemical	0.47619048	0.6666667	0.0
28	C21 H14 O10	427.06598	427.06635	-0.2212188	427.0659	7254	7605	7683	6150	13337	6349	1915	0	12984	9177	3315	2234	23465	6314	0	2958	0	23585	19973	4690	5557	13758	5168	2808	2589	2668	2616	1261	0	0	1921	0	2494	0	13631	0	3396	3541	3177	3472	5709	3024	1247	0	0	3954	6275	0	1862	0	7737	8067	7357	0	15492	11421	4529	3163	2244	1692	2483	2680	21985	12469	3362	18319	4916	1865	3540	5228	5763	1183	0	0	0	0	0	1877	14431	8915	10456	5274	1950	2996	18445	8753	9771	4829	6247	4847	2626	4349	4622	13421	20503	0	7022	5697	8104	13548	15105	3237	1064	3022	3456	2983	9765	0	2595	21848	Phytochemical	0.47619048	0.6666667	0.0
26	C21 H14 O10	427.06598	427.0663	-0.22974144	427.0659	6817	9964	8731	6304	17259	8794	3303	0	18153	11322	0	0	26615	7081	6157	0	0	33137	25759	7156	7163	18659	7124	0	0	5615	2177	0	0	0	0	0	1793	0	17843	0	3611	4681	2489	3473	4595	0	0	0	0	0	0	0	0	0	8157	7456	12995	0	21130	15137	6901	3059	0	0	4495	4381	27880	16642	5608	19105	4999	4372	0	6141	9937	0	0	0	0	2489	0	0	12262	11789	17305	2834	0	2914	31224	10981	10646	5979	5677	5128	0	4476	0	22429	30585	0	7727	6633	10922	15006	15949	0	0	0	0	5245	11594	0	3557	27774	Phytochemical	0.47619048	0.6666667	0.0
22	C21 H14 O10	427.06598	427.0664	-0.2126149	427.0659	13114	16102	15805	11524	30538	14459	6020	4023	27848	21162	10099	4913	34181	10231	8942	6379	5613	44459	28938	6442	14333	36595	14087	6417	5162	9154	5597	2269	4955	1564	3359	3942	7962	1975	27110	1978	7470	9059	4469	8800	9413	7185	0	0	294	10301	19308	0	6193	3146	17277	12085	17193	376	34959	25280	15321	6251	5171	5871	7397	8642	45157	25251	11774	31357	12570	4796	8601	10811	12901	2263	1972	1344	3100	4922	555	7218	20198	17597	14430	11638	3803	6588	33196	23833	20106	14773	15849	6419	7940	11097	9065	36665	36528	0	12310	17311	24089	33164	27954	7530	3722	6875	9741	8304	28090	0	7938	40538	Phytochemical	0.47619048	0.6666667	0.0
14	C21 H14 O10	427.06598	427.06653	-0.072514646	427.06595	11121	7079	5481	9256	17090	5491	3721	0	22466	28750	18759	2267	17205	3406	2213	2817	0	10113	15689	14493	20782	35138	3549	0	0	5255	2331	0	0	0	0	0	2526	1241	43055	0	4315	3291	2258	8478	9304	4314	0	0	0	6022	17665	0	2320	1856	7252	6174	11289	0	12409	16603	5930	0	0	0	0	6703	29777	16778	5995	19882	5865	2868	0	8317	12672	1285	0	0	0	0	0	1041	9312	17941	7242	12592	1086	2061	19855	12075	5019	5118	8069	0	0	2407	3126	41062	27078	0	6400	5339	17680	19647	20413	2349	1598	0	18017	2364	10206	0	1469	18464	Phytochemical	0.47619048	0.6666667	0.0
6	C18 H18 O12	427.0871	427.08786	-0.06409957	427.08707	3840	6664	4379	4966	10223	3150	1476	775	13621	3718	4295	2417	22368	3182	1372	1829	2049	7529	9474	4223	5620	4631	4106	3483	0	460	1009	0	779	649	0	1105	1935	940	6241	0	1783	2024	2249	0	4060	3815	0	0	0	0	2563	0	0	1804	4292	4834	6280	0	12601	17339	5736	1469	1382	1940	2258	1751	26536	15761	5205	12833	5264	3032	0	0	3219	1211	1552	790	5099	1587	0	1269	4277	0	3819	1159	579	0	18133	4323	3009	5569	4448	4109	0	1619	3543	4485	2694	0	4380	3381	11786	22197	25183	1797	1520	0	0	1622	11690	0	0	25208	Phytochemical	0.6666667	1.0	0.0
20	C18 H18 O12	427.0871	427.08762	-0.013936257	427.0871	6094	8474	8540	9356	19987	20819	1799	2154	22217	5112	4994	4637	36293	10938	5371	0	2593	19733	18523	6895	10106	9890	7185	4918	2125	2234	1754	2116	1960	2421	3879	3897	3140	2425	10310	0	5065	5460	2813	6640	7404	7959	1350	0	276	12423	25975	511	2576	2589	12655	6441	14764	0	18153	12763	8781	0	5600	2653	4174	9503	34790	23394	5611	17769	6584	2077	5632	3246	0	0	2864	2041	3974	1366	0	5349	8683	9200	5513	14137	1524	0	16590	7176	4975	4395	8062	2092	4920	8186	4378	14324	9035	0	10716	7175	17501	17556	15683	4977	4775	2050	29555	3946	13575	0	2891	35796	Phytochemical	0.6666667	1.0	0.0
10	C18 H18 O12	427.0871	427.08768	-0.1440208	427.08704	42507	38741	34518	40300	66923	34793	7592	14205	104394	40826	46862	22888	131904	23151	18826	21088	23143	77890	75978	31684	58897	66286	30487	17036	2429	0	13051	6870	7721	7137	12895	12263	23810	9291	56378	7778	21856	21555	21775	21349	40679	31950	0	0	0	17020	48804	0	10985	15036	40555	38044	43769	0	89075	88381	30985	15841	11387	23207	21702	15623	158216	95367	30102	95524	38178	22991	11155	5358	14900	14051	12678	6809	28057	11024	0	16884	36992	35967	33677	17162	5557	3530	96167	33256	27192	33775	34678	23649	5556	14130	23599	81877	55149	0	36056	45000	77533	111608	92287	24739	15582	11291	21379	20949	71679	0	9190	154305	Phytochemical	0.6666667	1.0	0.0
22	C18 H18 O12	427.0871	427.08777	0.25297037	427.08722	8406	8978	5848	9412	10026	11016	0	2540	17328	6892	10934	0	23606	0	3638	0	2834	13912	11662	10164	12252	11096	9230	3600	0	0	0	5414	0	0	3172	0	0	0	7816	0	4846	5384	0	5856	0	7068	0	0	0	9912	23966	0	6226	3324	7306	10690	10118	0	14162	12134	3754	3042	7950	4906	0	13992	25976	16850	9110	16500	7046	0	5026	9936	10906	0	3568	0	2426	0	776	0	4802	7004	5384	12818	0	4724	17496	9828	7674	7526	4686	5352	10168	13094	8015	11192	16276	0	9050	8640	12320	12182	9160	4468	4272	5998	28820	2998	12784	0	2450	43374	Phytochemical	0.6666667	1.0	0.0
8	C18 H18 O12	427.0871	427.08774	-0.13480245	427.08704	19685	16755	13368	17483	37296	12824	3106	8081	42096	16616	27186	11784	70497	8880	5911	9660	11519	35560	36861	13142	23123	30699	15561	7882	1322	0	4929	2425	3526	3848	4447	4000	7882	3550	24336	2497	7738	7475	9892	8620	16008	15955	0	0	0	6840	23152	0	4627	5499	18901	19994	18159	0	39814	44619	19329	5717	3799	10337	8771	9940	84373	49504	15039	44413	17258	15236	0	2550	7867	6724	6206	2551	7785	5296	0	5955	19259	12408	12282	6198	2121	2139	44340	13551	12646	19122	13592	12053	0	0	8144	35422	19298	0	19661	20188	43037	68837	57261	9098	6551	7801	6870	8855	37974	0	5012	65336	Phytochemical	0.6666667	1.0	0.0
8	C17 H18 O11 N2	427.09833	427.099	-0.08353064	427.0983	6458	6330	6926	8499	10951	3962	1708	3735	16239	3360	9996	6224	21077	1776	3000	4289	7263	9999	15426	6588	10685	13537	4942	4811	941	562	1870	0	2428	2596	3568	2825	5304	2770	8203	1576	6234	3634	6244	3317	13255	8849	0	0	0	5617	12491	0	4142	3608	7338	7526	6623	0	14392	12537	5590	3292	4534	6588	0	5145	30469	18777	7994	11904	7742	8308	0	0	0	2940	3584	2078	4359	3279	0	4542	4150	0	4164	4012	1272	903	13065	5153	3723	9457	7567	10320	0	0	9956	9911	4098	0	8279	6858	9748	13682	10243	5367	4096	4557	7796	7181	7081	0	2113	34275	Phytochemical	0.64705884	1.0588236	0.11764706
12	C17 H18 O11 N2	427.09833	427.09897	0.009528889	427.09833	14188	16796	17846	18754	24450	18436	0	12252	28768	9726	19204	21550	47136	6138	11094	9436	19408	28226	25904	7354	22180	24630	17660	10504	2778	0	6944	0	7906	5898	9462	8854	16128	9718	16620	8092	11762	13492	13496	14926	49172	13020	0	0	0	15274	24002	0	7682	9532	16598	15312	25632	0	39918	24580	20526	5300	15364	0	0	23200	74698	46806	12016	37424	18152	18014	0	10341	0	7142	7426	4932	7108	6572	0	16508	13356	0	16540	10580	2276	5016	29686	9834	12898	17910	22230	22308	0	10780	23152	38276	8272	0	20742	20564	22232	17904	14998	18410	19770	6614	0	14108	18274	0	2496	65110	Phytochemical	0.64705884	1.0588236	0.11764706
6	C17 H18 O11 N2	427.09833	427.09906	0.036353443	427.09836	7394	7411	5470	4346	7608	3344	1662	2882	16172	1159	2892	6244	20758	0	1990	4310	4018	12658	11111	3952	11138	9674	3696	4790	0	0	0	0	0	0	2950	1820	6216	3502	5753	3802	4540	3072	4344	4268	7510	6516	0	0	0	0	7460	0	0	3672	6103	6812	7188	0	15090	11794	5105	0	2844	3926	3520	4312	32270	20668	5938	15734	7248	3672	0	0	0	2464	5016	1404	4786	2252	0	2204	1346	0	2699	2747	0	0	13654	5220	3374	8164	7850	4748	0	2950	7676	4398	0	0	6040	5259	9112	14645	16074	4666	3380	0	0	6224	7226	0	1734	29150	Phytochemical	0.64705884	1.0588236	0.11764706
20	C22 H18 O9	427.10236	427.1028	-0.17539316	427.1023	63675	56934	52336	57104	72212	44554	18468	14058	82021	203211	117635	13622	103021	47647	21161	19593	9504	78930	90282	134087	128838	111598	30232	20257	23186	124695	20199	73982	9197	8287	15157	13207	20911	12317	223211	9676	28221	21842	17032	87140	71948	29358	3601	0	447	86911	101605	1133	13776	10241	61369	65574	44893	696	67351	65098	38914	22130	20696	23148	23586	68171	112197	60819	31757	82401	35242	12772	127234	155819	176517	8992	11105	5152	6669	10138	494	14223	55683	86707	39156	68310	18750	81961	85689	44962	45896	28955	36014	26098	33961	47336	36630	122989	129890	700	65684	64226	67108	67574	75999	22790	12556	21451	75638	17640	62688	952	23614	104683	Phytochemical	0.4090909	0.8181818	0.0
26	C22 H18 O9	427.10236	427.1027	-0.26567397	427.10223	11730	13203	8820	10904	14482	7533	0	0	18149	30757	10815	0	27459	7130	0	0	0	19433	20197	17604	18699	26232	0	0	0	14508	1809	6894	0	0	0	0	3407	0	37824	0	2203	4445	3165	11691	14079	0	0	0	0	9755	16315	0	0	0	12343	11020	8510	0	18837	17435	6719	2351	4093	3505	0	5587	28646	16683	5524	18202	4614	0	22152	29092	40957	0	0	0	0	0	0	0	12075	19344	10928	7613	2219	8437	24161	11983	11321	3758	5793	3514	2883	5803	4912	35153	38651	0	8191	12638	14112	23374	20214	0	0	0	7098	3020	15677	0	4269	24719	Phytochemical	0.4090909	0.8181818	0.0
24	C22 H18 O9	427.10236	427.10275	-0.20710647	427.10226	23744	17520	15845	19164	26054	14319	3777	3076	28137	51379	21504	3896	37056	11788	7678	4789	3427	29776	33421	34822	31148	33274	11709	4667	5754	38913	3891	15303	2084	1296	2405	1750	3508	1785	66550	1593	5485	6197	4840	24788	23723	5678	0	0	0	21172	29592	0	3323	2202	17908	18291	17043	0	27159	23829	10997	4981	5826	4670	4753	15273	46549	29162	8912	28245	11060	3472	41330	49694	57003	1719	1509	0	1339	2593	0	2705	16443	31221	15315	20361	4371	13249	44731	16870	15541	9069	10313	3995	8290	9635	5471	44893	54392	0	17936	13909	20120	28661	27998	6285	4976	6689	16881	3831	21894	0	5493	37995	Phytochemical	0.4090909	0.8181818	0.0
22	C22 H18 O9	427.10236	427.1028	-0.18362509	427.1023	36323	38807	33341	38705	42733	24063	6969	7209	58414	106941	58763	5877	54801	27458	19909	7914	7467	71052	49472	61399	71822	68551	19395	13548	12002	83137	9435	33782	2926	4490	8562	5241	8976	3050	117393	4701	9533	12753	8350	43011	32209	14122	0	0	602	47186	57551	0	4931	4120	32074	40654	37058	600	50722	47237	21499	9482	9825	9258	10050	32511	79207	48088	21767	50088	23009	7946	63720	96887	92065	4315	3510	1597	4727	3727	546	8186	35797	56507	27819	42836	13346	40843	60232	31591	27858	17059	18879	15685	17195	26451	12553	76374	90797	0	36552	35292	42800	57466	46649	10049	6565	13613	35618	9538	42045	0	12633	73577	Phytochemical	0.4090909	0.8181818	0.0
18	C22 H18 O9	427.10236	427.10284	-0.12823479	427.1023	79185	71507	66441	68215	77955	48032	19280	19669	81737	242862	148125	15354	108824	45077	30840	26809	17445	93809	97470	161009	157912	122135	33952	31238	25807	171070	20917	93057	14925	15575	14903	18014	25099	14765	265480	5888	29868	26983	20460	104579	86846	29553	2845	0	0	89524	104285	639	20804	14906	64953	77844	53303	252	87438	63184	33639	26928	25807	21174	31510	69807	124071	75911	37770	89077	34478	16008	131366	172127	206900	14287	10674	5191	12223	15291	645	11464	51957	99382	48257	99199	21402	67150	82464	53700	52416	32808	33407	32715	41716	63824	32944	124326	175477	540	63605	60092	79133	73478	66023	24436	12844	28913	62939	24614	56995	0	23195	102211	Phytochemical	0.4090909	0.8181818	0.0
12	C22 H18 O9	427.10236	427.10297	-0.07880411	427.10233	15535	15352	16348	17299	14620	6474	4781	6161	14999	45703	41270	4377	13635	8040	4248	6595	2570	14500	16577	31167	32439	28783	6863	6574	2814	30245	6132	23807	3580	3077	4910	4344	6552	3063	59287	3335	7273	6620	8007	15472	20423	5979	0	0	0	19715	38502	0	7916	5770	13672	14746	8715	0	15359	12627	7269	9947	5205	0	16866	13969	25210	10857	6555	11075	6071	9558	44273	46963	68469	5145	4257	1811	5611	4820	0	4838	13339	21202	9834	19856	4045	13412	18507	7961	11366	4837	6422	8836	8481	10873	9587	26252	28879	0	15459	14980	22773	13922	12393	7252	5953	0	28240	6283	11870	0	7702	16719	Phytochemical	0.4090909	0.8181818	0.0
16	C22 H18 O9	427.10236	427.10287	-0.1332933	427.1023	58175	59562	45175	57438	67936	33032	18787	17010	63355	190492	116747	13694	61358	33099	19683	26044	12161	73309	73494	112793	116395	96808	30994	22958	19606	132876	13546	69414	10208	13615	12761	11123	17149	13147	229512	8094	19611	21611	18509	75395	74043	18744	1420	0	0	71347	91359	0	18822	10813	50154	55014	43106	374	56488	41513	27144	27683	21400	17373	29882	53998	88771	46183	23868	68510	31242	14228	127549	159093	179520	13126	11988	3086	14414	12995	0	12175	44671	75189	33356	76791	19240	53601	64988	35518	40291	25191	28122	31307	32188	41058	0	101500	119207	616	63123	52082	54092	55779	49134	14519	12367	22115	58444	15523	48414	0	21955	78458	Phytochemical	0.4090909	0.8181818	0.0
10	C22 H18 O9	427.10236	427.10294	-0.11628245	427.1023	6336	4781	2907	4074	5147	2694	2516	0	5949	16686	12244	2498	4963	2318	2235	3171	3575	3317	7859	5580	12933	8574	3075	3008	0	13311	4139	5976	1016	1038	1428	1957	2020	1680	21018	1385	1303	2567	2342	7100	9011	1473	0	0	0	8553	11780	0	2354	2185	3779	3680	3401	0	4096	6386	3252	4160	0	3908	0	4877	8155	4020	2731	6469	2954	1615	15012	13445	27749	1735	1982	990	3257	2346	0	1517	4288	7050	5226	6513	2284	3421	6849	3108	3218	3164	2369	3154	0	3037	3886	8938	11115	0	3369	4071	6572	7738	7091	2963	2902	4083	0	1904	6342	0	2200	5214	Phytochemical	0.4090909	0.8181818	0.0
20	C19 H22 O9 S1	427.10574	427.10626	0.036494035	427.10574	11992	10037	12130	12195	7261	9262	3459	3612	13452	35359	7893	8486	40934	5887	3013	5938	2952	15432	19066	21433	14083	30874	5974	5349	5934	10132	3063	12348	5590	3246	5157	5736	3876	3852	31685	2249	6575	6297	3425	16256	23606	5049	0	0	0	20888	16336	0	4362	4341	12044	8204	9509	0	15582	21660	5094	4389	11303	4669	3552	27244	12015	20520	5600	8597	7963	5118	25718	20571	13002	1761	2646	2938	4124	3371	0	3186	6352	26882	12098	15566	7667	11398	9105	5573	3147	4399	4702	5022	21167	32875	10517	21946	22797	0	9985	22856	7459	6610	17276	3439	2909	14436	9749	7079	10220	0	4028	15983	Organosulfur	0.47368422	1.1578947	0.0
12	C19 H22 O11	427.12347	427.12408	-0.10207004	427.12344	525794	566562	277326	524924	424012	167018	157658	410920	647008	1097478	343416	316286	620214	89388	344492	197502	336326	677298	668530	906872	970382	480995	469306	225224	94741	99279	133113	192669	175189	310362	377990	186759	450816	172578	1476626	323438	428508	378186	325516	608984	364700	290374	4599	584	438	621340	851936	482	199159	408270	526206	572946	363674	433	846920	397062	135408	200019	249487	188197	301242	296873	881886	630540	120048	521948	342758	167955	223705	218085	285129	365202	354500	343454	151599	340630	358	346904	408812	249112	398716	242383	126075	137525	434434	144021	179568	261528	314058	162359	125200	216581	440188	341349	653750	1338	557178	288477	291301	342378	181207	241263	300672	215213	326811	347400	414898	0	119157	430039	Phytochemical	0.57894737	1.1578947	0.0
16	C19 H22 O11	427.12347	427.124	-0.11133354	427.12344	257924	260944	262964	278452	268024	245572	121202	220549	404477	469435	218701	134531	500970	133737	216723	154848	110595	487487	417282	423034	404958	380988	225938	208011	124124	104957	104419	137784	187685	169870	228240	217679	259232	164225	614883	182120	255925	193956	131185	317402	219388	158937	5972	1319	1413	332750	339569	1182	213208	184263	273969	264137	236002	1170	535476	208044	139199	174876	256810	120403	202757	272818	494508	371748	114792	310232	219738	112125	189477	256934	229676	209401	199870	184418	117352	171874	1100	180353	189069	168861	163184	279005	115314	154968	218767	162942	161032	130468	173888	115172	144486	255860	250328	242054	267111	2882	249810	279538	236320	163531	170838	190950	156268	198395	259730	211371	204031	878	117504	533963	Phytochemical	0.57894737	1.1578947	0.0
10	C19 H22 O11	427.12347	427.1241	-0.11247072	427.12344	268370	273238	244250	251946	226130	75075	67008	218524	297656	273360	363622	181024	333444	50095	174872	123337	171190	293956	303014	414798	472126	364058	223258	223374	40627	47474	73736	92039	152938	170332	169724	196678	108364	82222	334640	94519	226072	175502	203618	273772	355122	75524	2357	0	0	130365	389122	0	196948	196828	268634	132148	172372	0	348526	212654	126102	202150	113403	212606	138853	232358	362548	287254	70572	277624	174622	216290	121067	97253	141135	205676	179408	175080	156932	180984	0	77498	116995	99811	210446	205184	56030	58269	248582	148184	181648	67106	153180	94169	67841	94254	224912	313476	342094	792	272872	274444	131556	225446	212346	222692	154188	107085	135180	187128	219690	0	60950	390072	Phytochemical	0.57894737	1.1578947	0.0
16	C18 H22 O10 N2	427.13474	427.13528	-0.07306578	427.1347	30281	22245	29238	27624	20491	24851	22854	35707	21762	17236	13569	25110	37140	7577	34253	31274	24969	34949	36675	23958	26788	34919	36376	40732	25070	5157	16002	5556	30333	27907	36361	30497	39638	31640	32066	28981	35264	35250	21880	27244	18386	25900	846	0	0	21423	20974	0	40901	35978	27198	27049	22055	0	35317	15172	21115	32024	41044	17482	35542	22044	25565	28894	16537	24281	28934	23481	7980	5183	7909	27976	30646	28831	21422	22149	0	24435	24583	16192	18390	23458	13208	8709	24295	13977	26477	22782	22233	0	24113	37979	62902	21319	18735	0	22846	24073	16997	10024	15390	42559	23886	32303	19371	44299	16370	0	20338	39734	Phytochemical	0.5555556	1.2222222	0.11111111
10	C18 H22 O10 N2	427.13474	427.13528	-0.15833391	427.13464	113770	109529	101633	96432	55736	50682	63611	120956	85438	117680	81972	94785	106743	22879	93267	98468	101592	117307	118327	107027	145064	177842	101986	115917	41673	8101	62402	36360	100075	91382	99589	103879	143978	88476	149401	97258	143478	81292	110196	123092	144806	73377	1380	0	0	107195	138053	0	108310	109861	112951	113827	64102	309	134887	60149	49079	110779	141050	99138	121794	104432	135291	99169	52210	90618	76998	130524	24135	27993	32975	113532	103703	95449	86674	84624	0	81444	85974	65859	71116	67001	52102	36133	64573	50472	69625	72495	76347	115517	53247	106884	181564	93517	94383	0	101390	114820	50492	50408	45919	130180	90969	115923	180845	120504	46866	0	56267	147837	Phytochemical	0.5555556	1.2222222	0.11111111
6	C18 H22 O10 N2	427.13474	427.13538	-0.18224931	427.13464	41838	41445	34000	36385	23386	15107	16534	36162	32924	37613	29528	31657	44660	8806	23806	45866	46659	39586	42754	34334	54124	54549	32450	38212	8896	2168	17410	8432	28050	31724	34446	35754	46518	31736	42888	34360	40420	25258	59586	28997	57391	29432	0	0	0	28665	58541	0	40019	34359	36818	43919	25911	0	40489	25296	18520	40090	25238	45954	40445	23636	59454	39608	22401	36327	31253	63512	6139	6482	10132	36038	33482	29034	21728	27267	0	19540	23604	13052	23621	18005	15565	10532	33137	23947	21339	38995	26929	56850	15274	31865	54943	36839	29435	0	35460	39059	19322	31730	34640	46749	27527	39155	40403	42621	24174	0	15445	61748	Phytochemical	0.5555556	1.2222222	0.11111111
2	C18 H22 O10 N2	427.13474	427.13556	-0.034016848	427.1347	5950	4708	7616	5496	8094	0	2852	7244	11124	3326	4510	6114	16074	2872	4630	0	5060	11216	10522	3034	11302	10612	7914	2546	1274	0	0	0	7788	4096	7358	3614	8430	4720	7176	3248	6400	3540	5162	4200	7198	0	0	0	0	4610	4168	0	5276	3548	5722	7866	9496	0	10372	7010	3536	7274	2664	3920	1158	2542	23100	15312	0	14554	5586	8200	0	1106	1248	4672	6164	3240	0	2306	0	3428	4468	0	3758	0	0	0	8324	2594	2998	9128	6958	8850	3272	4662	11088	5610	642	0	6102	4234	5446	10710	8448	4504	4414	3040	2956	9632	5476	0	3692	21954	Phytochemical	0.5555556	1.2222222	0.11111111
12	C18 H22 O10 N2	427.13474	427.13525	-0.17916396	427.13464	99465	84923	105192	100912	52377	0	64978	127359	81284	86921	71281	76436	88054	24034	104738	84955	94926	99141	109004	110522	108002	163350	103590	102053	48151	7078	48745	35722	91517	80161	95473	90785	134794	84686	141785	81452	114592	95415	93046	110004	128619	67831	1016	0	0	98500	134632	0	93891	97241	95843	100160	67764	0	136864	43226	46663	101706	127854	99491	111447	113091	118750	95952	42775	92274	68354	97216	24781	26902	35090	95666	84708	84458	64095	80285	0	90805	66051	63888	66349	66007	55435	32229	57245	45028	69428	62308	81146	126650	62647	117204	168413	90403	67077	0	104574	121063	46681	39722	40472	127313	85458	95239	74843	121393	48790	0	49329	134674	Phytochemical	0.5555556	1.2222222	0.11111111
18	C18 H22 O10 N2	427.13474	427.1353	0.06418048	427.13474	9040	10939	9775	11818	7912	8449	5883	10160	7467	6146	8461	8667	17284	3347	6956	7917	6208	13245	14801	6278	7373	14114	14057	12239	7660	0	4237	5113	9318	8327	8179	5613	16300	10234	6455	11960	17689	7248	6903	8535	7957	9577	794	0	0	14129	10899	0	13614	8986	6461	6945	10954	0	15258	5078	7038	12506	11571	3724	8924	6414	8725	8417	4693	8930	7044	9085	1865	8101	7865	11437	6289	7221	10585	10514	0	10061	7765	5266	9421	7468	4726	5641	6651	6829	12214	8446	10729	7778	6883	14603	23629	6409	5790	0	8630	8968	5894	5580	5439	13882	8576	9445	5008	12407	7533	0	8501	15435	Phytochemical	0.5555556	1.2222222	0.11111111
18	C23 H22 O8	427.13873	427.13922	-0.1493404	427.13867	164896	157991	140721	149859	134242	84285	59860	84558	139905	423776	286032	56335	165486	88242	74363	85405	50209	165326	173117	344214	330790	179091	93510	93617	63539	501200	62370	228257	68328	56020	73556	69772	86888	73583	457042	64697	88804	71888	70600	245985	202502	67383	4232	519	412	177747	174531	861	83929	66922	149296	145543	106895	842	131037	111971	70814	96237	72631	68437	83116	166546	185677	121207	65389	137265	92361	66230	390051	585472	637409	65361	61749	56272	51662	69042	368	52847	123772	132022	101394	149042	65885	161813	160382	92844	113776	72701	79645	85005	119934	123149	113152	155598	232969	1160	155998	135376	134663	134283	121398	76179	56577	91373	109982	77156	98814	831	71550	159742	Phytochemical	0.3478261	0.95652175	0.0
12	C23 H22 O8	427.13873	427.13928	-0.23921439	427.13864	29051	29174	28264	28684	15213	10873	20921	23157	15593	46080	42531	14603	12396	11555	15374	24698	24243	12940	18938	48146	40156	24344	16409	26764	13088	51915	19230	28559	13805	21000	14741	19450	21655	14603	49792	16077	19109	13392	25308	32580	42692	10624	0	0	0	32387	38382	0	22390	25309	27301	26928	9843	0	16388	12120	9859	23460	16736	19152	23367	20859	19917	13730	6945	16215	12953	26399	55398	55829	79635	17878	16652	19053	19935	23234	0	15064	22455	21706	21193	27746	18903	21674	17249	10953	24030	9619	11694	40255	16206	25461	24067	24039	26637	0	31864	31192	22307	15665	16657	19719	14035	20253	27521	18827	15678	0	16859	13239	Phytochemical	0.3478261	0.95652175	0.0
10	C23 H22 O8	427.13873	427.1393	-0.16024269	427.13867	11078	10893	7770	5434	3923	4080	5562	9857	5913	12217	12563	6119	4120	4588	6457	12139	7362	5373	7252	16939	12208	9174	7944	10416	3705	18851	8559	6887	7033	8906	6817	8801	6827	5883	16950	6714	6127	6704	11049	8676	14145	4038	0	0	0	10252	13623	0	7333	6606	6041	10952	3450	0	3290	4530	4051	11634	5553	7394	0	7541	6592	4369	3052	5735	3794	8770	18389	23116	24218	8018	7363	9129	6628	7239	0	4948	7317	0	9018	7509	7351	6743	6927	3419	8441	3015	4422	12227	8063	5653	8067	5977	10624	0	8244	6966	5455	6321	4365	6143	5920	8131	0	5620	3169	0	6081	6609	Phytochemical	0.3478261	0.95652175	0.0
14	C23 H22 O8	427.13873	427.13928	-0.17376696	427.13867	58097	57019	53593	50294	37555	32524	33651	45796	43618	119043	91961	29885	37859	26586	34361	58231	32312	41005	45441	114108	117853	73924	36377	51472	32254	138654	26826	67830	31174	34206	32087	50524	38647	32146	135724	39062	32937	31415	37355	75746	83220	21591	0	0	0	60519	104912	0	40927	39973	54115	47944	29440	259	46764	35123	25752	57599	42016	53376	39372	51341	45418	37074	23768	41731	26579	39760	128760	152595	193376	37255	34032	36416	30402	42226	0	26073	54323	45573	40631	58932	32454	62298	50083	29271	49725	29324	27982	59014	40686	34709	49357	55416	71400	534	60925	62679	41506	42013	46368	34495	34128	49685	47317	34351	38172	0	35479	46869	Phytochemical	0.3478261	0.95652175	0.0
22	C23 H22 O8	427.13873	427.1392	-0.1885586	427.13867	102418	89369	85776	100876	118057	76658	28260	41255	118604	274631	201895	37688	140429	73196	43482	46578	31677	122576	118372	214670	224617	125381	54487	50024	48362	330596	20876	142989	36771	30626	42336	33551	54755	40794	327147	28865	44746	34920	32617	158248	132615	47215	4372	0	569	130946	138251	0	41620	24665	96628	100211	81032	551	98121	94815	52131	51474	41786	31925	54161	113409	159267	97853	48516	116738	68756	29343	279162	408567	407588	47955	26798	23145	21903	32929	938	37925	76397	87422	66505	92317	36629	114134	129982	72722	71776	46615	53868	55447	59361	73323	64471	128892	146715	0	83630	87524	98968	109804	95333	55558	35593	59085	85301	51705	89413	0	42488	151878	Phytochemical	0.3478261	0.95652175	0.0
20	C23 H22 O8	427.13873	427.1392	-0.16741024	427.13867	134373	160624	158403	137161	156463	109004	48492	71289	177134	455918	284744	43625	198787	114433	71892	72359	43532	171891	178098	351946	363602	202068	78240	85544	68994	548705	43647	234363	62321	47096	55018	53485	86380	53935	518782	47321	91485	59593	59155	242390	208483	74835	5425	0	462	192842	198280	2114	65681	50155	144518	156257	113202	934	140606	136278	75927	80993	66646	48091	81652	161096	190437	127188	73612	168696	97087	55427	441361	624116	655746	62459	53039	39752	46311	59866	633	50028	118427	139811	94434	136346	63566	233454	181545	92715	98572	77022	81350	75249	110707	116909	120949	176508	210957	1728	150926	142526	142968	135013	128641	73002	49438	87627	130111	68980	134215	1165	62276	206527	Phytochemical	0.3478261	0.95652175	0.0
16	C23 H22 O8	427.13873	427.13925	-0.15472513	427.13867	105803	106250	88357	95068	75144	60812	46031	62524	93070	258338	173256	46707	97951	47199	59241	80855	52379	94417	102281	203001	216832	119115	66337	79609	43462	313150	38612	126361	54558	54228	52602	55341	58496	55042	280098	56357	72708	52362	51153	140931	149701	46385	2942	566	384	116764	143640	588	71865	58051	104284	105252	65040	474	78760	72446	53613	76840	58286	53104	73265	93625	114322	74701	39859	92308	59927	61673	248057	374602	410600	62289	53273	50028	46698	59419	0	42414	85949	91337	73054	105840	56670	116755	99651	48378	83216	53681	53557	93519	81994	67488	73104	96662	126977	1056	110399	94521	91388	78772	78036	62634	40193	70639	82483	65315	71472	0	58834	98728	Phytochemical	0.3478261	0.95652175	0.0
24	C20 H26 O8 S1	427.14212	427.14258	0.020614931	427.14212	16744	7587	9255	9525	3304	17100	3928	5793	4614	29348	3696	3410	15250	2313	13224	7599	6855	16091	18586	30342	8830	14003	4543	7631	9142	5756	2001	4847	4315	4216	4051	3481	6818	4569	15135	9832	8539	7352	6481	11018	6759	4530	0	0	0	20968	7526	0	15750	4639	6056	6114	4631	0	14424	3793	3367	8159	6501	2907	18330	7496	6376	12460	5456	10123	7121	4505	10024	13154	17686	4771	4506	3968	7514	4038	0	4335	10898	6269	4306	15954	6052	7197	14864	5613	6290	3790	4549	5247	12764	17202	15095	4251	23862	0	5533	8586	4139	2446	3015	7216	3455	12304	6741	7648	0	0	3881	7614	Organosulfur	0.4	1.3	0.0
6	C22 H22 O7 N2	427.14996	427.15067	-0.06496912	427.14996	6038	4025	4857	5428	3485	2070	2467	3604	4096	14734	9025	1773	7167	2110	2231	4063	1894	1948	4236	11781	16454	7759	2865	3653	1459	11888	1577	6330	1571	0	2174	1636	2334	1698	16793	1394	4482	2252	2553	8227	12336	1881	0	0	0	6809	14436	0	0	2183	5195	5487	2057	0	4320	3788	1027	3530	0	2555	2951	5537	4676	4840	777	4869	2635	3335	14014	19543	26170	2752	1926	1281	0	1892	0	1834	3152	3597	2276	4065	1313	6838	2990	1168	3553	2464	2396	7609	0	4555	4146	10785	11410	0	6734	4196	2846	3643	3508	3805	1143	3040	0	3382	2309	0	2336	4222	Phytochemical	0.3181818	1.0	0.09090909
24	C20 H26 O10	427.15988	427.16034	-0.05829035	427.15985	15225	16328	14408	13359	10384	15046	6721	18066	13366	33354	13205	8959	27035	4807	17570	12224	6853	17501	22772	29035	26189	16114	15351	21205	11272	7624	3233	6336	14176	12905	15921	14543	14595	13502	31143	14459	19209	11871	8117	16845	12971	5182	0	0	0	17812	14101	0	16843	13444	15197	13005	11542	0	23666	9995	8168	13111	15453	6100	14485	7112	20001	16768	4273	12859	10295	7799	9713	20343	12163	17836	13971	15044	7613	11968	0	12485	15184	4692	11974	12200	10437	9994	14566	6687	9690	6559	11758	4719	15050	25102	14503	8311	9647	0	14029	15182	7602	7780	7364	15846	8871	11975	13110	13160	8869	0	8206	22080	Phytochemical	0.5	1.3	0.0
8	C20 H26 O10	427.15988	427.16046	-0.20557731	427.1598	133138	74769	121960	150636	32442	53814	53225	149696	81016	89114	124804	115852	42670	20118	59254	195252	148360	87316	67338	111095	93164	82218	63042	93792	67278	95383	113763	58764	139738	78351	120216	131511	140800	116463	122072	81384	143848	110356	147940	67480	73856	36026	1318	0	0	151256	182952	0	174452	148548	141448	70952	29204	0	116368	39886	62060	128488	132544	70094	84494	102496	52370	49474	27068	87884	38774	177432	68028	114036	91720	78444	78883	88458	128459	72485	0	100301	81177	29938	62828	48298	53948	42730	104108	29626	108411	29916	80500	137664	32184	52884	156814	49572	114324	938	137148	159072	37498	40864	49986	139856	88933	107804	68410	109028	38696	0	92891	85612	Phytochemical	0.5	1.3	0.0
6	C20 H26 O10	427.15988	427.1605	-0.06412682	427.15985	36616	33588	35552	35157	8562	19328	28573	24370	29524	21408	15046	31132	20268	6622	19196	39492	49220	20360	15116	20512	53752	42144	33404	45480	9380	10118	26936	8904	21448	49153	47532	17290	25565	29120	49788	43492	36208	32344	27384	14128	39964	19704	0	0	0	16964	39772	0	37728	20723	36740	42136	18664	0	33100	11152	17716	19068	30968	39800	20474	13602	24100	12294	7930	11670	9090	24074	13510	13616	19692	28084	35464	48348	51156	43370	0	14568	37060	0	31464	28816	35496	0	14802	9954	13496	13888	22356	53780	0	9154	23158	11108	16062	0	15890	21020	9330	14068	26704	36332	26991	24874	0	17176	11020	0	26936	12284	Phytochemical	0.5	1.3	0.0
16	C20 H26 O10	427.15988	427.16037	-0.14928822	427.15982	655142	683332	1312350	1416388	437343	448917	764900	1497582	705203	1552929	572931	769582	725325	236044	1328864	1065108	284051	818078	803844	1369661	1138045	1621502	1241112	1387618	1085828	413162	645258	464585	1326492	1201322	1394722	718313	1509390	1153382	3806470	1314528	1532330	1043874	313604	1810024	377049	372444	11621	2282	1537	1389854	400179	2246	1416280	1336650	1401332	1360828	446559	3616	975873	386749	303325	1321366	1457824	275141	678156	1181968	733304	1363736	232947	545567	446865	302500	386462	928398	510172	1546036	1355726	1429556	312345	1291530	1381	1048938	541949	330073	926034	437220	991840	478246	401121	339713	403480	296042	851496	340382	509711	1484620	848005	407400	587501	5141	1383722	1401490	398892	301195	307180	1311762	847274	697920	359848	636420	381406	1941	803586	1638732	Phytochemical	0.5	1.3	0.0
4	C19 H26 O9 N2	427.1711	427.1718	-0.20914689	427.17102	15425	16274	14820	15622	8960	9073	7201	19437	13157	13143	8657	9767	19528	6631	11760	17209	16648	16583	19658	15669	16153	26063	13839	18893	6591	1690	8103	7181	12269	11463	14015	14147	18387	12517	21730	13804	18899	10996	21749	15715	18283	9443	0	0	0	16325	19603	0	18426	14306	15395	14093	9978	0	21815	10984	7859	15971	14443	13393	20109	10254	21348	15828	7968	14960	11113	19422	3737	4690	5063	13087	12582	13430	5227	12649	0	10876	11569	8652	9453	8833	9625	4754	13675	8299	11100	9764	11219	18306	13514	17972	27116	12167	14667	0	13030	15581	9900	13223	13918	16320	9912	21821	10929	16269	9828	0	8731	24212	Lipid	0.47368422	1.3684211	0.10526316
16	C19 H26 O9 N2	427.1711	427.1716	-0.19721797	427.17102	49887	41842	43392	37008	20030	30753	35532	63231	30633	44273	18825	28754	37096	14493	61187	43755	28143	57412	53239	56083	30671	56851	51576	63261	58181	7046	27313	20095	65059	60419	66544	62306	67898	54167	67623	65849	69918	40831	26279	49318	18542	31148	0	0	0	37926	25706	0	65138	55970	43534	44787	28934	0	47245	18271	17323	59036	74251	21466	56035	28995	32697	31068	17245	29469	32480	24802	8075	24703	10183	67385	56955	90952	29258	52880	0	42061	32419	15714	24425	25119	37122	21113	19250	25822	29963	25788	35812	35730	51822	80450	99224	22054	40031	0	44038	55952	13753	10158	14677	67166	31570	59410	15556	65463	18399	0	36130	54450	Lipid	0.47368422	1.3684211	0.10526316
22	C24 H26 O7	427.17514	427.17557	-0.16903275	427.17505	289823	292372	246925	266830	268070	193248	99676	185661	274726	618144	483072	105512	292064	200054	161323	192743	121264	361454	293963	653774	657121	285212	188977	215349	147202	1084140	100676	433057	170550	141559	157685	158242	199959	149311	650288	152985	204310	140065	125997	447187	381975	150615	7191	3417	1483	304621	267700	0	169395	152744	260929	264655	213692	2001	262167	236920	139681	195363	158312	130366	197299	295679	316994	226564	124484	269912	198988	144909	931932	1345518	1303516	157178	137663	122822	93385	150908	1601	137148	258050	189549	200106	206134	141817	319792	285599	170933	221064	156788	168552	176992	224630	246981	244672	253064	299072	3672	259526	282140	229623	240864	233901	186580	115805	206108	188185	183522	221526	0	142942	320987	Phytochemical	0.29166666	1.0833334	0.0
8	C18 H26 O8 N4	427.18234	427.18295	-0.15660545	427.18228	7647	7569	5179	6627	1814	2325	5413	8531	3089	2370	1636	3262	5658	1926	9547	10981	8319	4067	4880	3025	2117	12565	6867	9569	5467	0	4467	4456	5817	6470	7342	9264	8073	6222	5821	5491	9109	6478	9537	0	1620	1800	0	0	0	3306	2866	0	9919	6792	7262	5045	2709	0	5583	1512	2686	11373	7735	3092	12524	0	4479	4376	2660	5771	3782	5641	0	0	0	7141	5804	6581	5935	4709	0	4988	6805	6339	3741	2480	4078	0	2668	0	6974	3851	4571	12691	12527	18896	22826	0	4943	0	7522	6301	2360	1978	0	8383	5284	10680	0	11757	2515	0	6555	6159	Peptide	0.44444445	1.4444444	0.22222222
6	C18 H26 O8 N4	427.18234	427.18298	-0.1728195	427.18228	9871	7640	7022	8743	3916	3071	5116	9928	6930	4010	3304	5417	5715	2263	10448	13376	8745	6527	8602	4803	2879	11994	7369	13530	6702	0	4732	3989	8231	9256	6713	8700	10983	10219	8037	8413	10627	7235	8736	4816	3286	4315	0	0	0	4138	2364	0	9596	6163	9415	7382	3259	0	7806	2212	3574	12308	7685	4461	12907	1733	6158	5421	2560	6837	6154	9080	0	1770	0	8284	8528	5940	4736	5297	0	5061	6870	3799	4698	2502	4171	0	4237	4728	7758	4816	6318	18860	20164	20279	25551	3178	3117	0	7940	8855	3147	2603	2494	11151	5381	6318	0	12811	3149	0	6125	6678	Peptide	0.44444445	1.4444444	0.22222222
10	C23 H26 O6 N2	427.18637	427.18692	-0.18142933	427.18628	11055	11405	9799	8422	4623	6373	7848	11477	5328	33605	21033	7530	4977	6552	4381	13908	8788	3827	8761	28636	33496	11476	6350	15445	8127	32859	5400	21405	8393	6723	8316	12196	11613	6646	27198	7088	13734	5096	10364	28729	25087	6246	0	0	0	14576	16683	0	13634	11682	11930	9934	7338	0	5405	2048	2676	11836	0	4806	9794	12953	4436	3977	3145	4514	6048	12291	29325	35965	39883	9660	11028	7124	6244	6770	0	6499	11290	14334	6633	5421	4438	17725	5231	3100	8054	5984	7226	16757	11957	7988	17941	17040	25862	0	10019	9736	4200	2876	1901	12491	5058	10868	0	11288	2700	0	9309	3533	Phytochemical	0.26086956	1.1304348	0.08695652
8	C23 H26 O6 N2	427.18637	427.18695	-0.21615931	427.18628	8490	11067	10746	8253	4069	5492	3940	9620	3254	21850	15073	4909	4232	3897	3815	7736	6405	3397	6543	23746	23380	11030	5717	9616	7284	18361	5000	13108	7003	6766	6364	9199	9728	5658	20073	7696	8004	4187	7032	16478	15681	3641	0	0	0	10262	16475	0	9371	6371	8819	9839	3551	0	4281	2513	2858	5707	2540	1997	5938	12471	1279	3567	1776	4124	3308	6015	14796	30459	24449	7006	7339	5037	7689	6698	0	3930	6469	10700	6763	4267	3823	12012	2158	0	6609	4081	4350	11213	11108	0	15787	14841	20129	0	9985	6336	2881	2318	2633	10505	4157	7597	0	7385	2510	0	4986	4296	Phytochemical	0.26086956	1.1304348	0.08695652
18	C23 H26 O6 N2	427.18637	427.18695	0.12727374	427.18643	25600	26566	25631	27411	13882	13527	14631	30730	12922	38782	30662	15262	20862	12377	11903	30871	21894	24939	22270	39427	38924	23553	18683	25761	16533	36178	19561	32650	27636	32700	25588	25539	35788	21328	31515	26011	26989	16634	22166	37875	42268	14400	0	0	0	28094	22987	0	27117	31136	26843	26778	22033	0	15579	13276	9596	25665	17892	15706	28196	24878	12456	16055	6430	15892	11670	26418	28446	44307	50682	25965	21029	25009	29476	29269	0	13957	21520	25120	13387	14434	18096	28689	10733	9898	22254	15893	14436	31190	35723	30929	40985	18599	32283	0	21593	25588	9983	13704	14567	25974	15341	23836	14331	29218	9735	0	17655	18176	Phytochemical	0.26086956	1.1304348	0.08695652
10	C21 H30 O9	427.19626	427.19687	-0.19884315	427.19617	57915	64830	58485	77679	30819	24300	57876	197370	29946	65691	39669	50598	32295	15195	60608	98838	78930	27807	46416	62538	61947	68088	120780	97845	125742	36753	80364	33483	84099	90710	68328	135438	171168	110076	51273	194534	77730	119520	104814	43941	45405	38169	0	0	0	52503	49248	0	87420	144267	118788	140916	27201	0	60201	29088	26922	79557	94251	63774	92217	27033	33759	44511	22584	34677	27651	89115	37164	36759	50682	122244	60023	182316	79884	137007	0	112248	76659	63648	61260	38133	116784	26985	43643	32064	79029	23463	31545	92472	38610	59559	178267	33327	52956	0	128148	147834	28554	34662	44655	151848	47085	76659	77292	62310	36162	0	62551	34536	Lipid	0.42857143	1.4285715	0.0
24	C21 H30 O9	427.19626	427.19666	-0.18177357	427.19617	28127	22111	20325	19014	18008	21014	12237	28122	23897	53900	9930	11300	39925	11068	34167	21889	7979	43889	35102	41434	33513	27152	21416	25926	19087	5024	10788	11034	26295	24114	25022	27324	36473	22840	56205	27389	36179	16432	12164	22750	5242	10718	0	0	0	22591	8963	0	26400	20447	26961	22465	18569	0	44983	18020	9584	26039	28720	4597	25973	10441	32216	26228	7481	26637	13937	9027	12813	31773	12319	28227	26306	23857	13330	23761	0	22752	19151	0	16882	11500	16444	12528	18066	12365	16267	10877	15699	10501	22857	36832	33671	10568	16480	0	23288	23878	11591	11067	10272	26089	14821	23621	10333	20759	12644	0	13890	41137	Lipid	0.42857143	1.4285715	0.0
12	C20 H30 O8 N2	427.2075	427.20798	-0.24946102	427.2074	14937	23586	17508	19263	7677	11484	26584	34629	7567	15788	8543	13363	12163	4901	21836	27117	22202	12750	24031	27925	16112	30585	20499	32981	22974	2624	14085	10477	30448	21728	24112	26496	37596	28775	28909	23246	22839	20614	18047	20261	11927	12536	0	0	0	28238	11409	0	30794	25234	21026	24143	13322	0	14941	4887	7531	30330	20485	10645	0	12061	9552	9215	6163	12356	12953	31882	0	7058	3491	24240	23708	28512	16795	18198	0	19004	14602	0	16126	12327	19902	8930	6941	7159	19045	8977	14878	46879	27912	43481	45114	11228	16944	0	22593	25956	5683	5727	6926	26749	17753	27001	0	27898	4909	0	20281	13799	Lipid	0.4	1.5	0.1
14	C20 H30 O8 N2	427.2075	427.208	-0.24342707	427.2074	17783	24663	24003	21413	7093	12572	21182	39958	9777	17422	6203	15288	10071	4793	27069	27868	19987	22617	17091	26938	15858	36968	27425	34456	34543	3937	15837	11239	34757	28908	23920	34290	37733	24551	23048	39133	36882	20717	26496	22032	6288	13985	0	0	0	25675	9565	0	25996	28010	18826	29865	12064	0	19066	6868	7416	39635	31425	10595	21638	12931	14381	13639	7323	13742	13529	24163	0	4980	4349	34616	28699	31386	18312	28330	0	22082	16059	0	14777	13584	24617	9294	6734	8862	19925	16162	14089	26340	46428	48080	64871	9040	19493	0	20734	23087	4798	5420	5140	38069	16155	33696	0	27047	6222	0	19182	18163	Lipid	0.4	1.5	0.1
4	C20 H30 O8 N2	427.2075	427.20816	-0.22321929	427.2074	8325	9741	8836	8211	4499	5995	4856	11671	6023	8853	3782	5746	8418	2959	9298	10963	6882	8098	9817	8869	7800	14476	7665	13471	9996	1410	5281	0	12202	8276	9378	12098	14849	8369	14134	11422	13107	7016	7769	8971	4937	4309	0	0	0	7726	4098	0	11254	8251	10392	6640	4841	0	10431	4108	3427	11641	7744	2859	13870	4718	8359	5640	1597	6717	5726	7921	1327	3599	0	8684	7114	9468	3964	7823	0	8077	6477	4182	5981	3535	6673	4194	4658	4697	5887	5978	5618	10006	14212	16408	20817	4285	7851	0	7417	7644	3333	5443	4966	11433	5875	11997	3856	8091	4925	0	5879	10062	Lipid	0.4	1.5	0.1
4	C19 H30 O7 N4	427.21872	427.21942	-0.17682338	427.21866	4842	5771	4421	4525	1282	2950	1438	3383	1598	0	1869	1354	2528	0	2581	4665	2040	2036	1775	899	0	3367	3377	3650	2897	0	1217	8026	3047	2161	2528	2862	3207	1731	2063	2741	3216	1729	3915	0	0	1013	0	0	0	0	0	0	2421	2564	3411	3946	904	0	2937	677	665	4169	1374	0	4000	0	1069	1199	0	2355	1880	3281	0	0	0	2087	2007	2451	0	2231	0	1863	1600	37247	1520	0	828	0	757	1002	2633	1101	1445	6236	140158	56430	8743	5133	2052	0	3283	4256	791	1018	1461	3229	1481	1745	0	2995	1032	0	2182	2728	Peptide	0.36842105	1.5789474	0.21052632
12	C19 H30 O7 N4	427.21872	427.21915	-0.07275158	427.2187	0	0	0	1961	0	1233	0	2040	0	0	0	1882	1530	0	931	0	0	0	0	0	0	0	0	0	1541	0	0	0	0	0	1974	1284	0	1592	0	0	2116	0	0	0	0	0	994	1078	566	0	0	1388	0	1151	0	0	1281	694	0	0	0	0	0	0	0	0	1727	1370	1227	0	0	0	0	0	0	2208	0	0	0	2592	937	1727	0	0	0	0	0	0	1626	0	0	0	0	5248	15298	6724	4806	0	0	1345	0	0	0	1619	0	0	0	0	20004	1481	801	1114	0	0	Peptide	0.36842105	1.5789474	0.21052632
8	C19 H30 O7 N4	427.21872	427.21927	-0.120329455	427.2187	2249	2263	2619	2786	1670	1562	1527	1959	879	0	2080	1001	1988	0	2147	0	1394	1818	1883	1544	0	4338	1499	4260	3140	0	1439	5780	2705	2382	2931	2486	4024	3384	0	2084	2505	1939	2722	0	889	1446	0	0	0	0	0	0	4581	1645	3969	3612	870	0	1484	686	1066	5698	2686	0	0	0	1647	0	0	1358	1202	4065	0	0	0	4095	2001	1961	0	1374	0	2490	1231	14834	1572	0	1248	0	0	0	3154	1603	1971	5773	80132	28910	5991	2624	3131	0	3618	3186	0	0	0	2483	975	3358	0	3075	0	0	2837	1520	Peptide	0.36842105	1.5789474	0.21052632
2	C19 H30 O7 N4	427.21872	427.21945	-0.14371441	427.21866	3185	2890	2618	2561	1581	0	2789	3766	1238	1014	2324	2169	2489	1340	4511	1502	2682	3504	1977	567	940	2540	3199	3882	2146	0	0	23209	4580	1939	3268	3666	5468	3674	1361	2346	4465	2736	5972	512	636	0	0	0	0	838	711	0	2859	1874	3078	4466	1393	0	2988	757	1093	5117	683	650	1597	0	2218	1822	0	1944	1810	5157	0	351	0	3264	2150	2855	269	1994	0	2614	2424	65945	1686	0	777	0	1154	2014	3011	1809	2040	7832	55232	35727	10107	11163	472	0	3454	3903	1072	1259	903	2835	1220	1244	449	3702	843	0	2278	2342	Peptide	0.36842105	1.5789474	0.21052632
6	C19 H30 O7 N4	427.21872	427.21933	-0.160939	427.21866	4582	4990	6273	6236	1803	3098	2130	3764	1809	2812	3179	1589	2712	1201	3049	9347	1781	2269	4595	0	0	4390	2687	4020	5241	0	1804	14241	4692	1767	3094	4786	4635	4392	1172	3000	6898	2735	3113	1772	0	1476	0	0	0	0	0	0	4551	3629	6378	4804	1392	0	2401	0	1190	6235	1104	0	6329	0	2132	1885	1455	1663	1422	3674	0	0	0	2299	2676	4397	819	3159	0	2604	3139	56088	2305	989	1629	0	0	1479	4480	2222	2654	5977	176402	60588	7627	8096	2908	0	6585	5115	840	1031	1606	5464	2137	2973	0	4497	1233	0	3502	2791	Peptide	0.36842105	1.5789474	0.21052632
10	C19 H30 O7 N4	427.21872	427.2194	0.018757973	427.21872	4614	3219	1842	1512	0	1034	1509	2900	0	2189	0	0	1262	0	1686	2721	1906	2432	0	1789	0	3341	1556	2240	1787	0	1502	5885	1377	1571	0	2219	2697	3871	0	1798	2143	1266	2222	0	0	1210	0	0	0	0	0	0	0	0	1802	1453	0	0	0	0	0	2685	0	0	0	0	1538	0	0	2849	0	2461	0	0	0	2044	1086	2604	1177	0	0	865	2088	0	0	0	0	0	1269	2387	1617	1212	1550	4781	32092	15995	4715	1394	0	0	2401	3920	0	0	0	2257	1703	0	0	2290	0	0	2460	0	Peptide	0.36842105	1.5789474	0.21052632
14	C22 H34 O8	427.23264	427.2331	-0.27929524	427.2325	8999	7844	11644	6833	3130	6868	16331	8376	4445	3343	0	8511	5913	3476	7048	14360	14764	3578	5106	4631	2115	4799	7111	8197	8688	2201	14947	0	12426	14043	11193	10464	12104	7263	4702	17625	10624	7853	18511	2048	4125	7047	0	0	0	5170	0	0	18273	7990	11272	8753	3380	0	4316	4600	3433	8306	0	0	0	2459	2574	4817	4980	2749	2956	15715	0	3439	4305	5546	11773	22404	16179	15975	0	8386	11146	0	5922	3437	15229	6510	6749	3871	13220	2781	5751	14537	9487	5192	8075	2910	1616	0	6615	9336	4041	7012	12915	14357	6241	11629	0	8020	4474	0	9656	6227	Lipid	0.36363637	1.5454545	0.0
22	C23 H35 O2 N2 S1 Na1	427.23898	427.23914	-0.34729964	427.23883	0	5547	0	0	6942	0	0	7038	4542	0	0	7320	0	0	3807	0	9189	0	7737	7245	0	5547	0	0	4407	13578	5247	10101	0	4776	3843	0	0	0	4878	6138	5136	0	4344	5235	5466	3300	0	0	0	0	0	0	4614	4920	5880	6525	4821	0	6864	4167	3027	0	3597	4254	7152	0	5862	4581	0	4710	6954	8070	10476	15765	20274	3975	4965	0	7557	0	0	0	8241	0	5331	0	0	0	4161	0	5697	0	3546	11022	0	9372	6996	0	6252	0	0	4632	0	5991	5445	4620	4920	6777	3840	0	0	0	6459	0	Organosulfur	0.08695652	1.5217391	0.08695652
12	C20 H34 O6 N4	427.2551	427.2549	-0.31659806	427.25497	0	1743	0	0	0	0	0	0	0	0	7343	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1971	0	0	0	0	0	2960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6040	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1150	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33060	14314	0	0	0	0	0	0	0	0	0	0	974	0	59390	0	0	0	0	0	Peptide	0.3	1.7	0.2
6	C20 H34 O6 N4	427.2551	427.2557	-0.18130821	427.25504	1302	1386	2012	895	0	3653	0	1079	0	0	1348	0	630	0	602	3071	921	660	0	0	0	2587	0	2085	569	0	0	5289	0	0	0	0	1089	1518	0	0	833	0	0	0	0	0	0	0	0	0	0	0	0	758	2123	1795	573	0	0	0	0	3993	0	0	3366	0	658	0	0	0	0	0	0	0	0	900	806	0	0	0	0	0	0	30786	0	0	0	0	0	0	1087	0	0	0	98130	26983	3417	4795	0	0	2520	1867	0	0	0	0	0	0	0	1818	0	0	597	0	Peptide	0.3	1.7	0.2
10	C20 H34 O6 N4	427.2551	427.25476	-0.39009044	427.25494	0	0	1152	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3555	0	0	0	1040	0	1043	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1137	0	645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8673	0	0	0	0	0	0	1146	0	0	1175	44342	16409	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.7	0.2
8	C20 H34 O6 N4	427.2551	427.25577	0.09494576	427.25516	0	1139	0	1458	0	1044	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1913	0	0	0	0	0	0	0	887	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1062	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27665	0	0	0	0	0	0	0	0	0	3256	75566	20057	2152	2340	0	0	1984	987	0	0	0	0	0	0	0	1367	0	0	0	0	Peptide	0.3	1.7	0.2
4	C20 H34 O6 N4	427.2551	427.2558	-0.26315764	427.255	695	1301	838	643	0	963	0	0	0	0	0	0	268	0	539	1945	0	300	280	0	0	1327	1204	1627	817	0	0	0	0	0	466	0	0	0	0	692	979	482	0	0	0	0	0	0	0	0	0	0	0	0	550	1124	0	0	537	0	0	2542	0	0	1683	0	0	0	0	0	0	0	0	0	0	0	0	293	0	615	0	233	946	40914	1494	0	0	0	0	0	496	0	358	1221	63693	16681	4000	1799	0	0	661	790	0	0	326	468	0	0	0	1141	0	0	573	0	Peptide	0.3	1.7	0.2
26	C23 H38 O7	427.26904	427.2693	-0.28106382	427.26892	7101	8858	9592	9096	5218	5078	46874	8356	5724	6275	4868	0	12150	9748	0	0	7813	7602	12846	7421	5823	4350	0	0	0	0	34519	21929	14248	11415	8107	12294	12194	7241	8302	9671	17746	6982	7050	4542	0	0	0	0	0	5293	0	0	12698	0	7387	8380	6835	0	11114	0	4390	9157	22832	4343	0	11933	8075	5270	6393	16203	12089	4476	0	3149	0	5454	7569	7873	9164	11984	0	4325	2230	14347	2550	7948	21261	8431	0	0	5645	3487	7755	3423	33443	33570	5784	2346	0	0	8627	6598	3146	3500	8659	11044	3623	9166	49810	7500	0	0	4816	8552	Lipid	0.3043478	1.6521739	0.0
18	C22 H38 O6 N2	427.28027	427.28058	-0.37350225	427.2801	2110	1659	3896	2946	0	0	5979	0	0	6984	38473	1059	0	10639	0	1636	0	0	0	7305	0	0	1453	0	0	0	99073	32881	0	0	0	0	0	0	0	0	0	5478	0	0	0	0	0	0	0	0	15207	0	0	0	2774	3251	0	0	0	0	2385	0	0	0	26227	883	0	0	25815	0	0	6000	79196	14943	19967	0	0	0	1398	0	0	0	0	6440	1199	0	0	0	0	0	0	4826	0	6311	7403	0	8609	2942	7095	0	4810	3033	2781	0	0	0	0	0	10816	0	0	0	0	0	Lipid	0.27272728	1.7272727	0.09090909
20	C27 H38 O4	427.28427	427.2847	-0.2308724	427.28418	12332	14452	14136	9387	8044	3182	27179	10841	6784	0	4127	15277	0	6744	10467	28869	61592	4847	5682	0	2190	2948	7545	5624	13851	2175	27729	5058	10648	18166	14123	16256	16386	9160	2358	21311	7503	16740	66771	0	4138	11601	0	0	0	1569	5138	0	15233	13899	13443	11461	7286	0	14430	10752	9722	18748	4667	11398	13306	1760	3346	5978	14689	4020	11464	72176	1830	3222	4669	5880	7443	16356	43623	14373	0	9516	21400	8113	17681	6889	12385	0	12886	11815	40140	4725	10363	72831	9768	6180	11419	5159	0	0	8517	11946	12340	19887	22893	23781	10943	7351	1742	9889	12503	0	23583	2881	Lipid	0.14814815	1.4074074	0.0
16	C20 H42 O9	427.29016	427.2906	-0.2975466	427.29004	7396	6201	5853	5764	7776	0	0	9298	0	11447	17861	0	6455	1075	0	3490	3773	5027	0	6030	2199	8116	0	0	0	0	0	2372	0	0	1498	8057	8543	4888	10298	1778	7469	0	7793	14623	15234	0	1279	0	0	7334	12150	0	10698	2160	5251	8386	4426	11624	0	0	2953	9189	29885	5725	0	11752	7281	0	1147	7236	2663	6871	0	5937	6631	9937	1336	0	4971	0	0	0	0	3662	0	0	0	0	0	0	0	9086	0	0	13731	9535	0	2961	3776	0	7983	3683	1226	0	0	5040	0	11292	241533	0	0	0	0	4168	Lipid	0.45	2.1	0.0
8	C21 H38 O5 N4	427.2915	427.29214	-0.046709646	427.29147	3430	2431	4248	2251	0	1759	0	0	0	0	1443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37986	0	0	0	0	0	0	0	0	0	0	0	0	0	632	0	0	0	0	0	0	0	0	2096	3072	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	452807	0	0	0	0	0	0	0	0	0	0	247037	64564	0	25762	1896	0	4074	2801	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.8095238	0.1904762
12	C21 H38 O5 N4	427.2915	427.2919	-0.080671676	427.29147	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2691	0	0	0	10339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40605	0	0	0	0	0	0	0	0	0	0	120033	50514	0	2909	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.8095238	0.1904762
10	C21 H38 O5 N4	427.2915	427.29196	-0.093697205	427.29144	1502	2631	1905	2362	0	2157	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	85483	0	0	0	0	0	0	0	0	0	0	232484	77543	0	8983	0	0	1711	1819	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.8095238	0.1904762
14	C26 H38 O3 N2	427.29553	427.2957	-0.41543612	427.29535	0	0	0	0	0	0	0	23741	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1315	6614	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1082	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1669	0	0	0	1274	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.115384616	1.4615384	0.07692308
26	C24 H42 O6	427.30542	427.30557	-0.24779688	427.3053	6682	2927	5901	6266	0	0	127444	0	0	0	8504	0	0	27231	0	0	90923	0	0	0	0	1881	0	0	0	5282	108211	20886	0	0	0	0	2154	2765	1595	0	1487	0	97472	0	4794	0	0	0	0	0	0	0	0	0	4393	2826	0	0	0	0	0	0	4377	3733	5976	0	5415	0	19328	4038	7688	11871	0	0	1571	0	0	0	0	0	0	0	0	10793	0	4081	18059	19120	0	0	0	0	0	2266	24204	18702	0	0	0	0	5394	0	2693	0	0	0	0	0	9560	0	0	0	0	0	Lipid	0.25	1.75	0.0
24	C24 H42 O6	427.30542	427.30554	-0.35298187	427.30527	1846	2198	4064	2644	0	0	86541	0	0	0	1624	0	0	15930	0	1499	5611	0	0	0	0	1701	0	0	0	5755	69022	6973	0	0	0	2746	2966	0	0	2831	4617	0	5718	0	1400	0	0	0	0	0	0	0	1468	0	1477	0	0	0	0	0	0	1209	0	3018	3273	0	2344	0	10560	1769	2888	5021	0	0	0	0	1270	3431	1680	1120	0	1222	0	5221	1704	1258	24638	25814	0	0	0	0	0	3751	9726	6634	1868	0	0	0	2744	2012	1131	0	0	2627	828	0	0	0	0	0	1264	0	Lipid	0.25	1.75	0.0
28	C27 H42 N2 S1	427.31415	427.3143	-0.6697794	427.31387	0	0	0	0	0	1664	0	2950	0	0	0	0	0	0	0	3652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	77205	0	0	0	0	0	0	1358	966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2623	0	0	0	0	1191	0	0	0	0	0	0	0	0	0	0	0	0	0	31325	3578	0	0	0	0	1993	0	1104	0	0	0	0	0	0	0	0	938	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.5555556	0.074074075
22	C28 H42 O3	427.32068	427.32104	-0.29662135	427.32056	0	1791	2238	1669	0	1195	6008	5567	0	0	0	4202	0	0	4131	3960	36417	0	2099	0	0	0	1162	0	4260	0	4238	0	5080	15225	3844	0	4194	0	0	10398	0	5097	30574	0	0	2437	0	0	0	0	0	0	4520	10055	2953	2799	0	0	0	0	0	5253	0	1405	2631	0	0	0	4379	0	1260	39541	0	0	0	0	957	11006	26761	13708	0	2214	5473	0	0	0	0	0	1313	3190	10470	967	1360	27010	0	0	0	0	0	0	2128	1886	1592	1354	2012	6236	3525	1160	0	2751	1979	0	5760	0	Lipid	0.10714286	1.5	0.0
26	C25 H46 O5	427.3418	427.34137	-0.42777896	427.3416	0	0	0	0	0	0	34061	0	0	0	0	0	0	7214	0	0	0	0	0	0	0	0	0	0	0	0	30526	4215	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7551	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4080	0	0	0	0	0	0	1642	2212	0	0	0	0	1856	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	1.84	0.0
22	C22 H14 O5 N1 S1 Na1	428.0563	428.05695	0.029051753	428.05634	0	0	0	0	0	0	0	0	0	0	0	0	0	76196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1777	0	63412	0	0	0	6433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6405	Organosulfur	0.22727273	0.6363636	0.045454547
26	C20 H13 O10 N1	428.06122	428.0616	-0.24199085	428.06113	4051	3893	4230	2942	4010	3612	0	0	7906	5979	0	0	8602	0	0	0	0	11121	7488	0	10676	16627	0	0	0	0	1852	0	0	0	0	0	0	0	7816	0	2684	0	0	2742	8908	0	0	0	0	0	6356	0	0	0	4021	3633	5590	0	7553	0	0	0	0	0	0	3158	15528	7272	2323	6809	4282	0	0	0	0	0	0	0	0	0	0	0	7031	8664	5023	2794	0	0	6188	0	5499	3048	2524	4881	0	1698	5855	17144	21240	0	3258	5234	3763	6040	4471	0	0	0	0	2331	4201	0	0	11485	Phytochemical	0.5	0.65	0.05
22	C20 H13 O10 N1	428.06122	428.0617	-0.14326806	428.06116	3388	5298	5587	4579	5522	2269	1047	0	9480	7042	0	0	9922	0	1442	1818	1716	10706	4248	2656	7275	8924	1586	3902	0	0	1535	0	0	0	0	0	1734	1184	4964	0	3405	1233	1792	3121	8227	2095	0	0	0	2736	9116	0	0	0	3053	1936	5094	344	6598	5756	3641	0	0	2026	2654	5954	10885	10610	3310	6984	5496	1595	0	0	0	0	0	0	1538	1526	0	0	6301	12605	2823	2812	1571	2136	6549	2998	6259	4545	4595	4588	0	0	2933	20553	22873	0	3582	4416	3721	8329	7668	4371	0	1421	3588	1532	5779	0	3267	13345	Phytochemical	0.5	0.65	0.05
20	C20 H13 O10 N1	428.06122	428.0617	-0.18698868	428.06116	6659	6878	4135	1987	8291	3781	1373	0	7963	6058	1669	880	11284	1629	2161	2119	2500	8031	8426	4079	13526	15081	3009	0	0	0	2107	0	0	0	0	0	0	0	10109	0	3476	1369	1800	6051	12445	3906	415	0	0	2911	7075	800	0	0	4291	3600	5208	0	4114	12359	4363	0	1467	3070	2147	6040	15184	8295	2866	10739	2657	1504	3559	0	2682	0	0	0	0	0	0	0	3330	12669	4408	5648	1435	0	11344	4545	2448	4005	2459	2695	4096	2730	4100	24539	17435	0	4697	5185	6655	10383	11024	2598	0	0	3497	1639	5817	0	3129	15403	Phytochemical	0.5	0.65	0.05
18	C20 H13 O10 N1	428.06122	428.06174	-0.14237106	428.06116	4349	2688	3950	3146	5746	2694	1229	0	6645	9743	4366	0	14495	1621	0	0	0	5077	6332	2202	5047	15364	3667	2471	0	0	0	0	0	1437	0	0	2056	0	11156	0	2960	1324	2037	6596	9201	2101	480	0	0	3541	8308	0	0	0	5821	2184	4138	0	12624	5556	1786	2683	1508	2582	0	2763	15433	9580	2120	7117	3686	1783	1770	0	0	0	0	0	2576	0	0	1412	4273	12079	4320	5271	0	1594	8292	2816	3536	3891	3012	4555	0	0	0	23321	23002	0	5366	6262	3585	7037	7013	2327	0	2148	3502	3537	4905	0	2574	7602	Phytochemical	0.5	0.65	0.05
28	C20 H13 O10 N1	428.06122	428.06155	-0.2797732	428.0611	4273	3552	3983	5602	6211	4125	1393	0	7758	8249	1540	1234	11523	2455	0	0	2284	11429	9788	2680	6502	15234	4420	2281	0	0	1403	0	0	0	942	0	2949	0	9902	0	2921	2188	2286	4386	7870	2517	0	0	0	2860	5961	0	1412	0	4156	4305	3416	0	8103	4382	2779	2473	0	1890	2375	3724	12192	9135	2786	8157	4347	2231	0	1909	2228	0	0	0	0	0	0	1066	6288	11003	3335	3508	912	1455	6903	3229	4038	3210	3204	4504	884	3443	3817	17983	20844	0	4539	4384	3499	5351	5280	0	1617	0	3116	2886	4116	0	2734	12000	Phytochemical	0.5	0.65	0.05
12	C17 H17 O12 N1	428.08234	428.083	-0.014747849	428.08234	11361	9988	8231	7061	28506	11251	0	3916	34997	4446	11028	6637	46389	8596	3912	2772	4760	24578	29822	3043	20650	25277	12328	2542	0	1079	0	0	1268	2092	2613	0	6304	1515	12430	1797	4393	5692	3617	5055	15760	14026	0	0	0	4836	13426	0	0	2550	5599	8930	15196	0	37615	39563	12522	1449	0	7408	0	7783	65593	37225	11977	29194	13023	4869	0	0	0	0	0	1716	4289	1053	0	4878	5578	0	6170	5348	1168	1530	34931	12045	6756	12398	14713	5202	0	3268	6611	30057	9234	0	6446	14093	31086	29310	36963	8089	5300	0	0	4272	25663	0	1179	59825	Phytochemical	0.7058824	1.0	0.05882353
20	C17 H17 O12 N1	428.08234	428.08292	0.04272105	428.08237	3705	3325	2520	2220	8729	5303	0	1638	6980	0	0	1520	28407	3992	2868	0	0	8543	11654	0	2227	6391	3560	1635	0	0	0	0	0	0	0	0	0	0	0	0	0	1137	0	2558	2651	4452	713	0	0	1747	6456	1020	1930	0	4671	2614	7055	0	9310	11635	2919	1764	0	2781	0	5215	13547	15968	4299	10415	4657	0	2310	0	0	0	0	0	0	0	0	1294	4399	7567	0	3303	0	0	19080	4371	2325	3899	3874	1444	0	4759	2141	8559	4584	0	2500	4734	11543	7629	15064	2216	1553	1385	5146	2304	8021	0	0	21486	Phytochemical	0.7058824	1.0	0.05882353
10	C17 H17 O12 N1	428.08234	428.083	0.043874122	428.08237	15528	18912	22014	16980	42288	0	4935	7782	69648	9003	20970	14538	96588	8496	4143	6612	11043	53007	45495	14226	28395	46086	18342	6585	0	0	0	0	3174	0	5967	0	10428	0	22300	4005	3972	7968	5973	9087	34986	21693	0	0	0	11157	26781	0	5142	3855	15816	18078	26091	0	73638	76623	20790	4509	0	8382	0	13284	115974	69363	32985	59307	24765	7752	0	0	0	0	2880	3120	0	0	0	3654	9207	0	10899	5106	0	0	74181	14022	9399	29826	22698	9265	0	11721	11430	46608	17121	0	23412	23244	58053	67023	67323	13173	10494	6738	0	7167	47909	0	0	112677	Phytochemical	0.7058824	1.0	0.05882353
8	C17 H17 O12 N1	428.08234	428.08304	-0.022272252	428.08234	3565	2472	1474	3515	8042	2282	0	0	10394	1349	2540	1956	14236	1003	896	0	1354	5893	8170	3464	3998	4400	2978	0	0	0	0	0	0	702	1174	0	1351	0	3349	0	1381	1411	994	0	3596	3236	0	0	0	0	3869	0	0	955	2746	4436	3609	0	11586	10550	3666	1102	0	1673	0	1972	23450	11162	2962	9308	3777	1035	0	0	0	844	0	0	1016	895	0	0	1394	0	852	0	0	0	9334	0	1468	3012	3720	1702	0	0	0	5115	3669	0	3378	2602	8456	10556	8830	2717	1074	1943	0	0	7365	0	0	16350	Phytochemical	0.7058824	1.0	0.05882353
18	C17 H17 O12 N1	428.08234	428.08298	0.029739492	428.08237	3816	3912	4697	4972	18391	9476	0	0	18266	2585	5088	4618	33710	8807	4379	0	3616	24374	24661	2452	7106	13785	8247	2352	0	0	1707	0	0	1286	0	0	3910	0	2926	0	0	2850	0	2810	7791	12539	1040	0	320	7302	11960	714	0	1282	7769	5030	10962	0	29211	27070	7346	0	2042	2168	0	8590	28973	20259	8242	14582	7267	0	3477	0	2166	0	1196	0	2366	0	0	2808	4711	10050	2181	4780	0	1972	26577	9944	3517	9423	7656	2941	3509	5772	2755	16788	8050	0	8029	8651	13795	16485	20666	3569	2678	2903	5824	4528	16067	0	1891	30436	Phytochemical	0.7058824	1.0	0.05882353
14	C17 H17 O12 N1	428.08234	428.08298	-0.08900051	428.0823	9121	10078	7431	10295	35349	11600	2988	2930	36646	2928	10816	6202	71700	8884	5535	4640	6208	38517	34379	4059	22590	18306	10285	4973	0	0	1562	0	2038	2012	0	0	6189	1486	10420	3753	4127	4776	3153	3362	15525	19902	0	0	0	5266	18029	412	0	3156	9603	8207	18585	0	38513	42464	15365	3822	0	0	0	10292	67904	51744	15569	32385	14889	5040	0	0	2681	1382	2671	0	3783	1644	0	4818	8341	19545	6527	8005	1549	0	45166	11759	2471	17615	14023	7121	0	4581	9832	34354	9269	0	9670	11897	28537	39021	45231	6768	7853	0	15140	5953	33720	0	2165	54409	Phytochemical	0.7058824	1.0	0.05882353
12	C21 H17 O9 N1	428.0976	428.09818	-0.056677658	428.0976	11393	10386	8397	11962	12549	5263	0	1988	15832	40598	30223	0	21445	4915	2456	0	3197	12682	10496	24635	32270	33000	5028	2904	0	20850	1656	10825	0	1067	975	0	3485	0	62313	0	4452	2058	4829	20414	34778	3561	0	0	0	15258	32864	0	1312	0	11762	13415	6550	0	14862	11301	6094	2511	0	0	0	16507	28202	11558	3631	15244	5556	0	41447	36443	65985	0	0	0	1291	1157	0	1419	7688	15846	6017	15483	1901	13593	14499	5535	8005	5072	4418	6912	6455	8101	4941	36807	24406	0	9280	10544	11694	12573	14787	3216	1407	0	0	3663	9522	0	3953	19311	Phytochemical	0.42857143	0.8095238	0.04761905
20	C21 H17 O9 N1	428.0976	428.09805	-0.18541287	428.09753	23969	25249	17483	14283	21759	14281	4413	3038	24005	82787	28693	4304	36779	11737	7150	8787	4800	26769	25431	32468	50102	62913	4389	6219	4121	23180	6738	21898	3056	3048	3332	2240	6275	3182	79086	3181	11990	5105	6290	37018	48485	7041	1023	0	0	38760	59237	569	5882	2288	22174	18191	13711	340	24429	14788	7671	8277	6190	8487	8657	29512	35062	26357	9384	21589	7808	5420	39766	32577	51804	3084	1555	0	3378	2102	311	3927	15522	47151	9280	28939	9178	37067	24718	14122	19310	13278	11311	12516	11248	20385	9348	75730	66215	0	20958	19550	15207	23673	25651	8532	2963	7152	25398	8147	10801	0	8776	38584	Phytochemical	0.42857143	0.8095238	0.04761905
18	C21 H17 O9 N1	428.0976	428.0981	-0.12777269	428.09756	31963	24103	23889	26756	29619	11810	3302	7847	29783	103142	50538	6642	39873	12511	8348	9471	6479	32030	32895	48130	73316	62402	8429	9892	5167	48247	6107	37525	4222	4414	3134	0	11306	4992	111453	0	6598	7075	6250	50020	63377	8812	1145	0	0	38355	51157	0	6188	4516	27234	21478	15902	0	26718	20548	11028	8074	9805	9749	7508	41680	51235	20952	9815	28082	11566	6180	59893	56279	90873	3072	3175	1256	3447	0	0	3843	20927	65670	14330	34842	6064	37245	28865	15517	14296	17031	12799	18927	18642	23468	14837	82750	103484	0	25507	23345	24766	26692	28958	7084	3194	9837	27344	6773	12912	0	6463	38783	Phytochemical	0.42857143	0.8095238	0.04761905
22	C21 H17 O9 N1	428.0976	428.09805	-0.23711176	428.0975	12122	8975	13397	10476	12566	8452	1958	1866	13921	44352	19129	1479	11511	0	1500	4344	3027	15362	17109	18144	31529	37846	4409	5090	3096	9711	2863	7757	1219	1429	2554	0	5844	2023	41791	1581	3949	3729	4116	26278	28577	4129	0	0	309	21579	34010	0	1376	1476	10374	13660	7332	449	15007	9587	9280	3101	3817	3234	5206	16524	20904	18604	6157	14347	8427	4186	19853	25236	25642	2328	1394	0	2588	1981	309	2250	11511	34459	8149	21850	3612	16158	15677	9243	5536	6821	7083	5847	6112	12123	7669	47348	48227	0	10317	8853	8630	15872	10934	3160	3107	4571	17268	3456	9222	0	4074	23187	Phytochemical	0.42857143	0.8095238	0.04761905
24	C21 H17 O9 N1	428.0976	428.098	-0.2105095	428.0975	4951	7639	4879	6713	6164	5462	1539	1562	7588	26972	7170	2689	7587	1341	1685	2216	0	11240	7228	5712	17855	25828	2628	1925	2127	4365	1599	6046	1402	0	0	0	2837	0	23374	0	2384	2821	2106	13193	15355	2346	0	0	0	12172	20317	0	1706	0	6416	7989	4408	0	8644	4730	3962	3027	2372	2914	2288	9307	12070	7977	2026	4807	2280	1779	8229	10364	15243	2047	0	0	1666	947	0	0	8306	16528	6079	13498	1495	4309	5003	6631	5343	3589	3305	2514	5001	3614	2639	33679	35882	0	7078	7206	5088	5371	7344	2692	992	3765	11747	4839	5465	0	2477	13887	Phytochemical	0.42857143	0.8095238	0.04761905
16	C21 H17 O9 N1	428.0976	428.0981	-0.12420274	428.09756	19333	22954	18734	23188	27579	15872	5308	4054	27457	99208	63065	4561	36824	14835	5750	4682	4760	38340	35011	58890	76805	70401	11712	8312	5750	49314	4986	29022	4162	2347	2884	3343	9160	4419	122040	2132	9690	4873	6105	52186	70400	6753	871	0	0	29176	53129	0	5215	2935	27796	19931	14815	0	29061	22571	10202	13593	5779	8715	8890	32099	42686	24446	10335	27208	14655	7087	60634	67417	86441	1900	1346	2132	5808	3130	0	3055	17535	66614	11308	32628	8265	32051	28893	13466	14537	8009	10505	0	13306	16807	0	79452	94911	0	20030	19889	20310	26372	25358	7240	3957	10862	20220	0	17897	0	7755	44593	Phytochemical	0.42857143	0.8095238	0.04761905
28	C21 H17 O9 N1	428.0976	428.0979	-0.24210453	428.0975	3236	3376	4136	4326	2862	2493	1049	0	4492	15855	4576	0	4680	1672	0	2032	0	6488	5293	4682	7852	13717	0	2936	0	2361	0	3585	0	0	985	0	1548	1141	16517	0	2904	2379	1126	8306	10048	0	0	0	0	5430	9209	0	939	0	2936	4497	2715	0	4550	0	1253	1957	1509	2356	2014	6096	5828	5039	1229	6085	2788	1290	6557	7433	7142	0	0	0	0	0	0	1115	4175	11761	4125	4408	2509	3584	3558	0	2415	2009	2606	1931	1675	4966	2870	17176	23051	0	4813	4724	3902	2762	2274	2046	1080	0	3700	3164	1849	0	1870	7909	Phytochemical	0.42857143	0.8095238	0.04761905
10	C21 H17 O9 N1	428.0976	428.0982	-0.071475886	428.09756	7389	3063	6500	4593	7613	2748	1288	0	8260	20351	10731	1960	11179	3268	1055	2083	1987	6869	8052	9638	19701	19113	2268	2104	1339	9895	1162	5396	0	0	0	0	2004	1012	32631	0	1828	3734	1279	10087	18597	1941	0	0	0	6718	16057	0	0	0	6760	5491	4106	0	12836	5890	2434	1902	0	0	0	7371	15642	10558	3174	7304	2384	2498	19183	15876	36853	0	0	0	0	0	0	943	4573	8663	2619	5770	892	3307	6198	3210	4942	2776	2193	4052	0	2215	3709	18243	18359	0	4221	5811	8660	11164	8240	2189	1552	0	0	1392	6956	0	974	11859	Phytochemical	0.42857143	0.8095238	0.04761905
26	C21 H17 O9 N1	428.0976	428.09796	-0.26155844	428.0975	4230	3518	4100	4229	3679	0	0	0	5259	19939	6122	0	6505	2150	0	0	0	7605	6261	7229	14802	18793	0	0	0	0	0	1982	0	0	0	0	0	0	15899	0	0	0	0	6099	10104	0	0	0	0	9281	16465	0	2146	0	6053	5474	4394	0	6598	0	0	0	0	0	0	7293	6520	5327	0	4165	2707	0	5849	8254	7995	0	0	0	0	0	0	0	4844	18692	0	4868	2191	3368	5082	0	5029	2775	2433	2995	2276	3312	6042	22574	27182	0	4486	0	4030	3053	0	0	0	0	7603	1805	0	0	2396	7653	Phytochemical	0.42857143	0.8095238	0.04761905
18	C18 H21 O9 N1 S1	428.10098	428.10147	-0.1274968	428.10092	10047	7728	9100	4871	7185	5824	3753	2637	4586	22039	7895	2403	12667	2072	3684	4163	5205	12579	11279	15536	13530	27097	1544	3476	5273	11500	1974	7414	3828	1942	1684	3529	3779	0	24531	2116	6318	2979	2274	22367	11654	4688	0	0	0	10493	9410	0	2131	1902	9575	6204	5814	0	7146	5636	2027	4194	7189	5063	4580	17879	5268	5101	3508	7129	5230	1983	12182	10596	10528	1960	0	0	4975	0	0	1541	5076	11680	3109	6137	4181	13447	6150	5772	4540	4409	4930	3732	10198	23457	6951	17418	27572	0	8335	5591	2314	4454	3562	3517	1588	6803	10430	3237	5693	0	2557	11358	Organosulfur	0.5	1.1666666	0.055555556
6	C18 H21 O11 N1	428.11874	428.11942	-0.12263993	428.11868	19984	19739	20792	19092	18478	9887	6422	16396	30267	29115	27685	14160	40537	6996	10816	20166	17088	32298	34414	20737	40127	27082	15140	19070	3223	3385	5465	4567	11297	10950	10921	11410	17077	11603	33972	9913	12312	11412	18345	13761	37930	16044	0	0	0	20160	35661	0	13701	15427	21126	17543	15139	0	35008	30308	12446	10899	9700	19798	15973	13971	46402	30488	14727	29953	17659	26010	14440	11029	17904	11715	12097	10988	7388	10281	0	7281	14834	8641	11567	10343	7116	4392	35746	9998	12693	20094	19344	26871	4924	12689	25155	23456	21136	0	21423	20891	18488	25639	34781	18677	11392	17353	18566	17189	23842	0	6208	48122	Phytochemical	0.6111111	1.1666666	0.055555556
10	C18 H21 O11 N1	428.11874	428.11932	-0.11858894	428.11868	111940	109449	105066	102273	101477	70694	46558	89947	137606	185214	146551	87026	216494	44772	76238	96257	95056	177362	177124	186561	261508	198243	103190	104767	26438	28387	50876	53593	66554	83598	69577	73857	108585	72323	243752	78578	92743	69620	90159	139583	229410	90294	3535	714	0	131493	230027	0	66257	86358	105394	118157	88103	861	210896	126578	67268	77555	80176	115253	104643	135693	194631	164567	73485	130569	90416	104724	114884	56312	103658	80631	78070	68192	83327	68848	0	63055	86433	108052	69937	85147	44427	41663	143913	70095	66216	81523	80659	88162	35022	65686	131535	187427	176138	0	109185	124703	118423	109920	119003	111794	70288	100977	175545	80164	124200	0	39404	207359	Phytochemical	0.6111111	1.1666666	0.055555556
26	C18 H21 O11 N1	428.11874	428.11914	-0.15231806	428.11868	4595	4770	4918	4711	5693	10052	0	0	9226	11003	4884	4444	11634	2591	0	0	0	19248	7979	14653	21327	5081	5600	5736	0	0	0	0	0	0	3009	0	3327	3814	8357	0	3196	2999	2611	8079	12682	0	0	0	0	11376	27835	0	3634	0	6312	6112	5120	0	11959	6872	3564	2090	3375	4566	0	9174	10304	7752	0	6583	3093	3536	12028	7409	14439	3364	3393	0	0	2527	0	4781	0	0	2785	8303	0	3690	11049	0	2819	0	3408	0	0	3571	0	4979	0	0	5583	8570	8985	2428	0	0	4500	0	13083	3150	5659	0	0	19030	Phytochemical	0.6111111	1.1666666	0.055555556
24	C18 H21 O11 N1	428.11874	428.1192	-0.10399672	428.11868	7230	5508	6943	8820	12305	9268	0	3302	12385	8975	5423	5502	14114	2723	5569	3209	3705	15701	10755	6439	14041	8123	5900	4282	0	2997	0	1072	4261	3256	3134	2436	2836	2092	7892	1907	4114	3025	3274	5808	11476	4420	0	0	0	15812	31242	0	3956	7305	7114	6986	6005	0	9409	10151	5312	1902	3647	3830	3290	9836	13484	9995	4409	5993	3205	3820	9466	5474	9673	5393	3738	5511	4836	3005	0	5312	4153	3715	4637	10311	1149	3753	15005	3956	1257	3811	4415	2137	1935	3856	3544	4383	6310	0	6872	6972	12696	4421	5756	3217	3191	5175	16028	3657	10495	0	1442	15901	Phytochemical	0.6111111	1.1666666	0.055555556
14	C18 H21 O11 N1	428.11874	428.1193	-0.12230163	428.11868	153122	123854	131738	124589	152102	115437	65839	126101	206503	180329	153049	102579	334315	83901	119459	94297	106575	308357	250423	243501	333541	255217	151255	123863	51277	47768	55826	84000	95172	100292	99027	82720	135367	71069	267009	100371	117167	93299	91842	161699	226263	127490	5258	664	569	209366	329569	600	82328	106909	138838	129058	131156	687	317401	174984	88272	93495	160092	108478	129976	220034	287885	225307	94461	180296	126484	96564	205361	88662	136092	0	87057	100392	89798	79948	544	101250	90847	179860	92957	148268	51178	55156	204047	122976	84072	110800	115045	80842	58888	101513	135460	208964	199964	1495	128055	165671	161730	132265	166695	142913	92939	144191	301344	111653	163881	638	48181	272867	Phytochemical	0.6111111	1.1666666	0.055555556
8	C18 H21 O11 N1	428.11874	428.11935	-0.15164828	428.11868	64379	58693	45098	60150	49685	31678	22303	39839	66888	85448	80749	40642	106698	19244	31065	51329	58747	79365	91462	85147	130420	87661	47213	46547	10889	10999	20293	18710	35048	37148	29056	37447	43071	31136	110827	33476	44530	30815	57144	56547	112135	47024	1186	0	0	68662	111496	0	39318	44658	60228	54804	44639	0	92539	67260	39672	32364	35562	55092	52538	54593	124240	83388	38177	67211	41012	62239	45721	21763	51138	39474	32058	32910	40475	36386	0	29604	43453	41440	32673	37125	20741	21331	77612	36758	31955	48984	43135	52829	10744	34432	56807	87105	86435	0	57497	63828	68145	67300	75488	59703	32263	51988	57455	47919	65106	0	19795	102869	Phytochemical	0.6111111	1.1666666	0.055555556
28	C18 H21 O11 N1	428.11874	428.11917	-0.19024305	428.11865	8058	7818	7645	7457	8299	8317	1748	3912	6964	13223	6537	4517	13861	2477	4854	3401	4478	16036	9675	18195	31467	5997	6762	5051	0	3963	2773	3190	0	4263	3692	4806	4914	4391	14273	4682	5109	3792	3811	9238	11427	3936	1640	0	0	11828	22845	0	3072	5511	7027	7275	7136	0	10860	5063	4396	3251	3699	4520	4645	12161	9716	7891	3012	7418	4914	3842	18363	10244	16562	4421	3908	5588	6677	3437	0	4083	4152	3496	4145	9372	1887	2725	12003	4694	2918	3648	5182	3018	2121	4624	2669	5112	5018	0	6751	7611	9210	3970	6135	4866	4090	6540	13747	6017	8214	0	1978	13913	Phytochemical	0.6111111	1.1666666	0.055555556
14	C22 H21 O8 N1	428.134	428.13452	-0.14664707	428.13394	33138	32969	26178	32706	29446	18159	6915	14033	26527	128757	70987	8334	33155	15127	8792	21768	17968	32480	25451	93199	112250	73005	17074	17424	10661	125870	8506	71126	8948	10076	10390	15831	17342	12233	154405	9004	13827	13342	14805	74353	88659	16319	0	0	0	51839	66262	0	9598	10351	32442	35839	17254	0	24643	17399	14566	19046	12404	13763	20489	54463	39657	24536	14126	26780	17548	16129	120317	158715	168418	8448	9734	5827	9544	8537	0	10158	22893	60277	15125	36511	14350	48717	24570	13435	21178	16460	18605	32859	26069	30619	27668	65730	79938	0	32193	33552	27016	24273	21957	13785	7115	20972	44131	16984	18160	0	11724	28376	Phytochemical	0.36363637	0.95454544	0.045454547
10	C22 H21 O8 N1	428.134	428.13458	-0.119485535	428.13394	19511	16445	19355	13835	11795	5784	3990	5005	16796	73910	42690	3825	18838	7913	5831	8420	5281	14145	18475	57253	60662	31022	5708	7102	3988	51399	3324	31490	5114	4479	4302	3496	6848	4210	90633	5320	6329	4068	8257	39728	42841	5796	0	0	0	31449	34703	0	4697	5646	20907	16963	7911	0	16638	11000	4858	7482	4371	7625	0	21718	16999	13443	5834	14589	7704	7244	63573	77470	94095	4753	3203	3845	4070	3491	0	2777	12972	20520	7021	18341	4282	19473	9932	6626	9099	6150	5551	11646	9222	10584	11316	32052	36551	0	12404	15124	11355	12977	14456	5164	3733	9343	18732	6867	10173	0	5212	18580	Phytochemical	0.36363637	0.95454544	0.045454547
24	C22 H21 O8 N1	428.134	428.1344	-0.1843162	428.1339	8110	6518	10947	10296	6952	4958	1877	1769	7921	39563	20369	1995	10577	3768	2807	3248	2239	11176	12763	20566	26459	20999	3746	4438	2746	19062	2075	15550	0	1740	2322	0	3182	1804	34119	1788	4681	2653	3272	20745	21423	2986	0	0	0	17807	31359	0	2541	2191	5918	8123	5875	0	11610	5629	3504	1338	3594	2172	5448	17831	11212	8005	3049	6789	6093	3182	23385	29896	35826	2537	1654	0	2423	0	0	1660	6561	18228	3237	13950	2598	12288	8155	0	3884	3858	4764	5920	4796	8165	3664	28301	32264	0	8029	4427	6247	5625	4850	3398	2245	4516	11504	3926	4261	0	2538	11722	Phytochemical	0.36363637	0.95454544	0.045454547
20	C22 H21 O8 N1	428.134	428.13443	-0.1728886	428.1339	39275	44161	39853	32698	35745	21100	6749	13520	35156	161556	99880	8215	38903	19156	12090	18098	12628	38645	34875	94596	119454	73941	14462	23087	14070	108978	4962	73070	8330	6977	8118	12172	17822	11160	150341	7138	21765	7511	13329	97014	94084	19133	1380	0	0	64963	78114	0	10787	7277	36982	36441	26515	225	32157	25435	14082	17950	14334	13137	21322	61465	41548	30370	12265	35990	25955	10315	104013	144439	171094	9496	6654	3827	7078	9345	0	8783	21733	74836	17829	50355	13969	65824	34435	19487	18152	20321	16848	20033	34275	32884	25636	85278	89996	0	40015	42541	27085	28452	27559	19531	8235	21930	46720	15325	23383	0	12568	47347	Phytochemical	0.36363637	0.95454544	0.045454547
18	C22 H21 O8 N1	428.134	428.13446	-0.14931695	428.13394	56793	46165	50817	45540	38720	25384	15806	17171	40386	196979	120128	9240	49993	25009	15441	25972	14168	51593	48873	136178	160838	93112	23576	27335	14695	155142	15147	101199	13413	9836	15847	14084	22528	11141	205536	10187	26434	11728	11604	123768	108145	18979	1354	0	0	78435	86085	0	17625	12070	48328	49592	26662	0	42191	31940	20039	26516	17332	18126	25008	78740	62456	36829	20948	43462	28916	16527	135933	200230	225074	13400	9235	5682	11073	12007	0	12017	34981	92298	18580	64636	19747	77055	37104	24665	24542	26821	19557	28524	39759	50570	47205	101998	129745	0	54079	54895	33070	29023	34634	18759	11995	26557	51273	19681	27180	0	21646	62384	Phytochemical	0.36363637	0.95454544	0.045454547
22	C22 H21 O8 N1	428.134	428.13443	-0.19187321	428.1339	19529	19712	18551	17554	18025	13883	3670	3542	17739	79123	55726	5358	18231	12269	4365	10424	6864	25562	21506	49743	70803	49626	9059	9971	12847	52957	2878	42063	6146	5024	5009	5922	8452	5328	91842	3766	9939	7327	6833	48407	57953	9665	0	0	0	46154	51803	0	5430	4799	17258	25885	14107	493	19563	12475	9696	5615	7769	7584	10307	42402	27274	16907	7128	16051	12939	6549	63168	73230	86971	6087	3707	2153	4970	4034	294	3551	13284	37725	9223	34621	7766	32176	20448	14218	15558	8171	13785	8797	16087	20207	13053	52024	65542	0	17586	16342	14122	14598	18817	10876	6292	11586	32602	9545	15597	0	7447	31188	Phytochemical	0.36363637	0.95454544	0.045454547
26	C22 H21 O8 N1	428.134	428.13434	-0.24992944	428.13388	3388	4243	4526	2429	0	0	0	0	3586	18553	10705	0	0	0	0	0	0	0	4431	6473	11011	12480	0	0	0	7633	0	5543	0	0	0	0	2234	0	14809	0	2302	0	0	9138	13240	0	0	0	0	7642	11965	0	0	0	3591	3383	2721	0	0	0	0	0	0	0	0	7348	4266	4762	0	3727	0	0	10984	11794	21472	0	0	0	0	0	0	0	3126	9438	0	6181	0	4526	0	0	1934	3893	0	3444	1724	3865	0	13220	19758	0	4051	0	0	2451	0	0	0	0	0	2671	0	0	0	5863	Phytochemical	0.36363637	0.95454544	0.045454547
16	C22 H21 O8 N1	428.134	428.1345	-0.16395167	428.1339	44502	53857	42668	53340	37328	21259	15549	16183	41915	193271	107522	10833	47897	24750	11096	21158	13501	45038	50457	129901	143317	82724	20102	28679	15753	139237	14439	86212	16467	11380	13869	12181	20033	12582	211297	11773	20987	12705	16183	108949	100085	17288	794	0	0	66042	80524	0	24086	14379	49787	42951	29738	0	37429	27646	13895	23129	15876	17947	18672	64519	53386	35276	13190	43281	30234	15582	144126	210411	219927	13545	9581	4646	16155	11401	0	11934	24985	82272	17235	50337	17619	69850	39110	22416	32907	18089	21525	37712	34517	37874	48633	94101	145754	0	51011	48031	27243	34436	27468	17937	9243	17817	41332	24895	27380	0	25207	49700	Phytochemical	0.36363637	0.95454544	0.045454547
24	C20 H21 O4 N5 S1	428.1387	428.1392	-0.02077716	428.1387	0	0	0	0	0	0	1852	7284	0	0	0	911	0	0	0	1913	0	0	0	0	0	0	0	0	0	0	6579	0	0	23251	1092	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14037	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4561	0	22878	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2	1.05	0.25
10	C15 H25 O13 N1	428.13986	428.14038	-0.34588847	428.1397	5090	0	4962	4122	41802	0	3384	0	0	0	0	0	10398	94364	1930	5548	4010	6512	3394	4748	4524	3856	3726	0	3070	5086	0	0	3644	0	3900	6138	4650	2562	3942	3510	2848	0	3654	5442	3648	0	0	0	0	0	0	0	4602	0	0	4732	17141	0	0	3845	0	4326	0	0	0	3782	3116	2026	0	2944	0	4064	0	5992	6044	2608	0	2746	5666	2610	0	0	5824	0	3402	0	2722	4714	0	1346	4362	3892	2214	4900	0	0	0	0	4126	0	0	0	0	0	0	3938	0	0	0	0	14205	0	2562	0	Unclassified	0.8666667	1.6666666	0.06666667
12	C15 H25 O13 N1	428.13986	428.14056	-0.21768254	428.13977	4089	3345	4822	5079	132546	13334	0	2599	3163	5868	6127	2587	29054	442639	1731	2557	0	10523	16864	4253	5651	5266	0	0	2159	8659	0	0	2537	1880	2650	2658	1874	4390	8495	0	0	0	0	3708	0	18442	0	0	0	2560	8453	0	3838	4237	0	0	70201	0	0	23222	9383	3074	0	0	0	4620	3991	1598	9214	19310	20174	0	0	8684	7583	3319	1889	2255	3994	2492	0	1485	3341	0	2906	4295	3404	2401	7915	0	3466	1981	6795	6863	0	1941	3453	0	2968	0	3357	0	2827	11070	7802	3905	2963	0	0	2379	61201	0	0	0	Unclassified	0.8666667	1.6666666	0.06666667
10	C19 H25 O10 N1	428.15512	428.15567	-0.17368518	428.15506	203772	211517	205319	193620	131846	116403	128813	587972	178314	374771	207625	165451	218458	75114	380660	240823	184408	238011	252068	435701	448546	575270	224825	277557	116959	230752	132492	136384	228310	233968	192254	222658	232092	183474	431881	247438	221452	307496	174818	299795	287688	129336	7717	514	326	325885	318009	463	205975	247454	221159	205019	125168	1517	263289	141980	88491	208871	250737	183413	300522	215775	192434	182440	93297	157703	126962	186385	337266	250444	294822	224677	214381	247536	164973	200072	0	158897	161583	151638	166988	177568	149574	141571	189755	125749	132663	114387	120311	155893	119494	178424	255855	178438	265792	2398	224989	278301	138110	116182	139362	507288	149297	314058	253939	180724	158541	0	119929	206036	Phytochemical	0.5263158	1.3157895	0.05263158
18	C19 H25 O10 N1	428.15512	428.1556	-0.1387933	428.15506	300211	281318	306478	270598	267383	235631	168033	399563	282529	458314	244158	208826	454983	144233	288803	278215	209709	468299	461737	628509	636597	293881	318863	346102	203344	457524	155824	183426	341919	317453	266245	266190	283598	297462	445086	339084	294424	209206	169958	394628	313497	217547	15138	2180	1592	468048	476418	1768	265551	342479	302903	276912	227693	2394	483563	249540	158627	243473	260600	182271	316880	351152	360810	297353	139237	254194	208200	182659	512171	535675	501951	311211	275585	373949	222930	276690	1916	224541	216036	187912	219433	298008	172896	249748	348707	220017	183494	172912	207117	119637	176933	254963	334064	191129	302831	3511	310732	358246	260523	190850	234026	302023	188872	339445	295927	226561	272543	2322	162226	383501	Phytochemical	0.5263158	1.3157895	0.05263158
12	C19 H25 O10 N1	428.15512	428.1557	-0.11819126	428.15506	346508	363744	358928	335894	258237	237826	288782	571651	346134	660226	402965	279961	390720	129088	383643	343538	360877	509099	559892	941898	969673	540579	496668	473592	255652	503254	183041	321998	476684	396469	388570	338061	436987	364340	1000237	412503	347247	328325	290449	613609	518740	275436	12103	1844	1107	637428	595833	975	339372	453639	368780	337859	254123	1840	574122	284109	183205	349597	521341	386796	506203	525371	442052	361730	161188	338028	247254	295297	724826	621355	640797	401030	368431	458396	267428	337150	841	342281	298021	327668	323116	371529	293746	326426	349314	240380	257412	190997	264404	317044	231553	370086	468108	334237	373087	3516	377522	503122	306697	198289	245192	417845	294455	458702	542883	328385	320321	1030	250691	454420	Phytochemical	0.5263158	1.3157895	0.05263158
14	C19 H25 O10 N1	428.15512	428.15567	-0.118523985	428.15506	543769	549044	531459	516509	404588	404556	342627	715648	555333	989582	523704	366544	756530	245468	598131	564092	434933	826663	781611	1404218	1408187	670440	608577	695671	400858	835616	263055	415275	641111	630752	465281	585653	600623	457864	1324722	682800	508277	400411	335925	860776	554312	459857	21124	2004	1375	917376	828101	1771	479823	647382	496777	495186	373230	2842	861899	424916	255461	472497	738343	423150	752799	718134	609846	575198	249789	435793	397223	305077	982658	981086	837180	577471	523919	732179	415399	492951	896	456476	385126	435595	382651	531323	358255	414021	543189	393969	309117	312951	387286	300051	357032	496764	689846	386909	592961	6511	503585	717536	415334	306791	371469	624346	398470	822153	787629	430129	451298	1699	284510	601995	Phytochemical	0.5263158	1.3157895	0.05263158
4	C19 H25 O10 N1	428.15512	428.15582	-0.1659849	428.15506	8668	7174	6552	7943	5948	5181	2773	9127	7910	8992	7658	5335	12266	4462	5181	7357	9092	8698	16756	10436	14279	11915	6174	8807	3096	3611	3567	0	6688	6031	6288	6431	9944	4337	12565	7248	7856	4919	10381	8707	11011	5658	0	0	0	8556	12735	0	8300	6164	7379	6986	5090	327	10719	8795	3856	6717	6765	7365	8867	5867	14223	8011	3339	6620	4968	10247	6549	5325	5734	6597	5716	6463	0	4664	0	4626	5364	4881	3912	4619	3972	3538	9417	5609	3141	5169	5771	8805	3451	7100	20366	6306	7104	0	6591	8600	6770	8705	9923	9023	4853	8684	6953	7572	7580	0	4134	13225	Phytochemical	0.5263158	1.3157895	0.05263158
8	C19 H25 O10 N1	428.15512	428.15573	-0.18048689	428.15506	98031	207834	78248	192446	54080	52041	51064	241478	74107	149494	99268	147976	98652	31941	158198	222528	178342	89480	109799	157350	361844	258608	185348	251066	41302	64132	51511	51309	92043	187474	158602	185764	182412	80733	185624	95363	187332	128670	177304	123705	263096	65863	2115	0	368	131518	152270	0	96576	211900	192638	103748	53121	533	116491	71280	44554	80921	178800	178870	118521	89540	99807	85847	44506	75047	58205	184282	115478	86095	108170	189436	174320	205270	71185	170082	0	124806	72364	61859	65156	67703	63715	62313	80443	49062	62164	113122	114112	164510	42410	91541	240630	79202	110485	557	97364	111073	55530	58691	70984	202700	131054	146655	94047	157994	69584	0	47586	213548	Phytochemical	0.5263158	1.3157895	0.05263158
12	C18 H25 O9 N3	428.16635	428.1669	-0.19010556	428.16626	10919	14646	13453	15661	7789	8913	14743	22127	5350	11600	0	10648	9600	4005	20874	15825	13052	8636	15413	12333	10408	26513	19498	21274	17167	0	6004	0	22169	14292	16096	12976	26835	15423	13549	15783	20954	19479	13401	12098	7333	7570	0	0	0	19062	7544	0	20438	19195	17292	10710	8802	0	16734	3905	6502	24371	21473	9915	0	7323	11298	8298	5280	10095	12617	17460	0	0	0	20808	17402	17226	9653	15124	0	12989	12591	0	12753	7697	12422	3284	3766	7147	13539	10280	14853	25192	15821	29846	44581	7759	7097	0	18467	13236	4906	2767	4264	23403	14400	10984	0	26056	7488	0	10462	16714	Peptide	0.5	1.3888888	0.16666667
2	C18 H25 O9 N3	428.16635	428.16708	-0.19557303	428.16626	7917	8978	7655	7931	5805	0	4852	10101	7343	4002	3498	8570	12499	2225	7398	1594	11667	10723	10716	3614	7101	13326	8709	8370	2484	0	0	0	10170	6046	12947	8514	16195	10337	7722	7351	9575	5746	12804	4585	6880	7819	0	0	0	3530	4423	0	9111	5112	7840	7849	7071	0	10158	4631	4275	11925	5096	5289	3063	2326	13360	10120	4200	12306	10080	14427	0	1156	1980	10481	7866	6135	542	8177	0	6405	7578	0	6380	2263	2912	1192	6087	4461	7047	9943	8919	21797	6897	8620	19975	4785	801	0	8359	8941	4558	6011	5121	8403	6162	4880	2340	14586	4430	0	4807	16434	Peptide	0.5	1.3888888	0.16666667
14	C18 H25 O9 N3	428.16635	428.1668	-0.17890984	428.1663	8420	0	8456	8008	3323	4278	0	11316	3835	5557	1964	6525	4025	0	11566	10020	6330	6871	7216	9082	5664	0	9468	0	11573	0	4563	0	10587	10707	6347	13268	13160	8687	7665	12995	10670	9730	6661	4577	0	6316	0	0	0	5086	0	0	11564	7096	6864	6299	5121	0	6028	1972	3021	15684	15200	0	0	0	2974	7770	4276	8992	8125	6548	0	0	0	9557	7964	8636	7373	8415	0	6734	8484	0	5747	2683	5612	0	3190	0	9135	6482	5285	16427	11222	17788	24571	3877	3414	0	6986	5534	1654	0	0	11253	7107	9707	0	11807	2798	0	6400	4293	Peptide	0.5	1.3888888	0.16666667
4	C18 H25 O9 N3	428.16635	428.16705	-0.17910549	428.1663	9254	10219	10652	9203	4714	5053	4553	11116	7196	5664	3868	6472	11443	2420	8203	12931	14015	12513	11282	5515	8199	16304	10242	12144	4973	0	4521	0	8739	7447	8732	9035	12892	8387	11014	9120	11812	8095	19733	5796	9232	7699	0	0	0	7713	8379	0	9144	8036	8970	7283	5816	0	13223	7055	4820	10719	8464	7326	10059	5633	16515	9736	5465	10183	7008	15841	1440	2126	0	8250	5616	9151	3313	7526	0	7203	9862	0	5991	3683	4586	2484	6764	5742	8672	8180	7456	16460	10622	14033	25782	4888	6016	0	9248	10987	6544	7152	7454	14941	7254	10374	5347	14463	5087	0	5356	15954	Peptide	0.5	1.3888888	0.16666667
10	C18 H25 O9 N3	428.16635	428.16687	-0.21906908	428.16626	26821	25710	24358	23772	9494	12701	19918	36524	14860	16874	6680	19601	17859	4755	24673	29370	15168	24210	24762	23155	17876	37294	26678	35609	22318	0	16049	7138	28060	26597	32041	33387	37810	29550	22490	26744	36517	25203	22407	24781	11497	14920	0	0	0	21055	13438	0	26122	28180	23340	24701	14003	0	22748	8429	12172	29660	38979	16717	35276	14401	16775	18988	10510	19372	18087	27789	0	7767	3473	29535	24111	28712	16602	24979	0	22888	20216	12994	17344	13316	18452	7268	9156	12679	23724	13942	17738	38267	33817	49836	57014	13991	13031	0	30732	23298	6832	6568	8122	34836	20048	27029	0	33254	9557	0	20382	22749	Peptide	0.5	1.3888888	0.16666667
28	C23 H25 O7 N1	428.17038	428.17078	-0.23171712	428.1703	14336	11987	15601	11798	7569	5201	8110	34788	12120	7888	5506	10742	2189	2804	13953	62457	23913	3651	11571	3317	5431	23779	16170	77807	20805	5261	1794	6424	12762	16807	18383	14371	17235	13457	5364	10690	10813	9425	22317	5435	5759	8311	0	0	0	6817	5617	0	17236	23213	14340	13743	9960	0	7012	0	2516	51258	2403	4881	59222	2783	4130	5224	3724	6088	6576	25727	10042	8847	11823	17466	11820	6969	15803	14081	0	11826	15800	8535	11717	1857	3902	2438	4878	3045	20416	7917	6582	108937	10621	9646	80831	4954	8278	0	13533	14394	6945	3717	2307	19370	9178	8952	0	60243	3011	0	19689	8235	Phytochemical	0.3043478	1.0869565	0.04347826
10	C23 H25 O7 N1	428.17038	428.17093	-0.18686405	428.1703	14378	19442	17377	16935	8496	6067	6474	8833	7070	62884	40353	4790	8345	7254	4389	8602	9179	10578	12941	66387	69123	25018	7393	15890	7067	64645	6484	31465	9550	6142	5710	6987	12679	5333	62341	5943	11668	5142	8664	45965	38184	5918	0	0	0	24386	25121	0	8181	9247	22032	15720	9144	0	10686	7352	4435	12141	2819	7401	9628	23955	9867	8115	1946	10451	9293	8700	67146	101739	90236	8460	5653	6880	5938	7224	0	4748	10758	15612	7182	9647	6818	25048	8306	4612	12642	6008	6398	19419	13225	13606	19583	23727	38999	0	17114	14984	7210	8183	5240	11713	3701	13871	0	8100	6360	0	8848	10675	Phytochemical	0.3043478	1.0869565	0.04347826
12	C23 H25 O7 N1	428.17038	428.1709	-0.23564886	428.1703	21738	21449	21408	18141	12155	10238	11941	10384	15411	63226	46998	8564	13801	8436	9375	14873	15333	11212	17397	76969	81855	30009	9524	17652	9983	84920	8117	54776	11652	9282	8672	7467	16443	8036	84737	11269	13726	9051	15401	49255	58804	10057	0	0	0	26379	30269	0	10936	9327	23308	20273	11293	0	15086	6933	7268	15882	7326	10849	0	31477	15695	11361	5547	16242	10728	20132	68258	125145	133767	10315	8921	8417	9975	10573	0	8478	15034	22652	11676	14068	9213	29038	10002	5843	17477	7915	8114	30965	16163	17681	22359	31421	34025	0	21212	19414	13956	10386	7815	15792	7098	15408	0	16889	11436	0	10341	14182	Phytochemical	0.3043478	1.0869565	0.04347826
6	C23 H25 O7 N1	428.17038	428.17102	-0.15736407	428.17032	3297	5730	5376	4141	2901	3139	2526	4058	4146	19518	10776	1604	3763	2135	3501	3822	2097	2572	5330	17877	16527	6688	3503	4812	3039	19986	1704	8045	0	2583	3010	2764	3108	3028	15774	2350	6118	1622	3237	10868	10904	1513	0	0	0	9050	7035	0	3394	3672	6362	4915	2697	0	5008	1840	1106	3337	0	1802	4292	4562	3455	3224	1173	3468	3284	4656	17020	24896	31872	2516	2355	3224	2330	2616	0	1615	3091	5535	2389	2513	1584	6342	2311	1433	4378	2770	2428	4571	0	4704	6359	6955	11244	0	4417	3834	2485	2368	3107	2791	2181	4305	0	4466	2504	0	2243	3027	Phytochemical	0.3043478	1.0869565	0.04347826
8	C23 H25 O7 N1	428.17038	428.171	-0.19875985	428.1703	9851	12504	10853	10377	7348	4015	3318	7098	4738	36831	22398	4876	7472	3979	4843	4046	2182	6923	7844	38976	40605	19753	4169	7765	5824	37437	2578	17963	3774	5205	6237	5715	6730	6646	42409	5923	5455	4819	6389	24577	22805	3330	0	0	0	18538	22393	0	6641	5920	6862	11871	4305	0	8923	3805	2585	5776	1543	4971	0	13218	9388	4178	0	6630	7171	3425	41866	53156	63714	7620	4842	1927	2463	3196	0	3681	5849	10163	5452	6989	3053	19290	5416	0	4669	4409	4020	7329	0	6530	8291	18405	26551	0	11619	11422	5492	4374	5114	4640	2173	10169	0	4423	5060	0	4851	5182	Phytochemical	0.3043478	1.0869565	0.04347826
14	C16 H29 O12 N1	428.17624	428.17615	-0.4969252	428.17603	15143	17072	7038	29132	8486	8353	10593	16487	10110	23784	3368	9458	12049	0	17148	11793	7817	17621	28454	15310	21566	23726	15357	17605	14451	4970	7560	0	20246	17507	15249	14905	22243	10869	12974	17774	17393	12927	10237	14421	5898	8853	0	385	294	16418	6121	493	11748	14171	27062	14754	6508	0	12969	3031	3771	13154	24322	8049	0	21484	8306	8528	5464	8367	17766	10377	0	8261	3536	14926	12361	13403	5364	13287	0	14199	9124	0	10509	7459	24294	7624	5156	7287	16014	8938	8124	10471	17521	34091	34109	9437	12383	535	14993	26822	6499	3585	4635	11891	10481	17101	0	17447	4706	482	20964	11723	Unclassified	0.75	1.8125	0.0625
6	C17 H25 O8 N5	428.17758	428.17816	-0.060090534	428.17755	5723	3462	5063	2621	1981	1471	3608	4223	1702	0	1592	2258	1581	2277	3114	7592	5899	1943	2192	0	1120	2905	3337	3751	2525	0	1996	20724	3523	3685	4842	6242	5151	3539	0	3313	5704	3076	7535	0	1159	1639	0	0	0	0	0	0	5819	3197	2840	2124	1561	0	0	984	1336	5620	0	0	4183	0	1784	0	1211	2399	2274	5730	0	0	0	4269	4111	5568	3177	3368	0	2191	1343	0	2642	0	0	0	1650	1716	2233	2137	2247	7702	0	3032	6250	0	0	0	2972	2612	1034	1830	1471	6019	2427	0	0	3936	0	0	2259	6760	Peptide	0.47058824	1.4705882	0.29411766
4	C20 H29 O9 N1	428.1915	428.19223	-0.21750054	428.1914	9926	10860	11889	9081	6449	8553	4057	12258	7905	11634	7165	5819	12507	4550	15822	9941	7540	9273	19456	12276	13122	16436	7932	23452	5276	4893	4074	6015	9825	9268	9909	10702	12808	7310	17652	10223	11699	5991	10220	9886	9233	6142	0	0	0	10243	6781	0	11090	10329	8732	10359	5425	0	12262	6552	3238	9665	10489	5787	12562	5538	19804	8569	2262	7639	6315	7775	6662	4612	6498	9159	8478	12503	3509	8479	0	6677	6777	5023	4718	6749	5543	4632	7045	5791	5968	4050	5992	8977	22854	22382	28966	6195	8718	0	8242	10557	5313	8220	9087	12899	6499	15779	7291	16592	6144	0	4620	11208	Lipid	0.45	1.45	0.05
10	C19 H29 O8 N3	428.20273	428.2033	-0.19067518	428.20267	9569	8248	10840	9368	5143	6015	9367	17377	4314	5911	0	5421	8688	4772	13404	14762	7232	7449	12752	10533	3855	13723	11375	18493	15026	0	8842	0	17055	9701	9406	14364	20071	11943	13310	13564	15219	7833	8700	8248	3844	4032	0	0	0	9850	4767	0	16021	10528	11452	11470	5371	0	9261	2166	1992	20244	13117	3147	12701	3852	7395	4730	3283	7610	6239	11174	0	0	1338	14765	13121	10660	6435	11832	0	9411	9504	0	6849	3750	7774	2230	3443	2796	8681	4068	5779	12031	39043	32559	30216	4190	7097	0	11161	11189	0	2296	3427	11983	9019	14936	0	17800	3187	0	11634	9365	Peptide	0.42105263	1.5263158	0.15789473
14	C19 H29 O8 N3	428.20273	428.20346	-0.13160568	428.2027	4850	0	4659	3515	1997	1500	4072	8574	1674	0	0	2295	1420	0	7430	6516	4931	3207	4696	3061	0	0	5010	10799	8171	0	2706	0	7033	4931	5718	0	7176	5644	2644	6081	7449	5055	2843	2108	0	3780	0	0	0	2689	0	0	5652	6999	3430	2642	1538	0	2520	0	776	9523	0	0	0	2292	3020	2499	1498	2843	1459	4621	0	0	0	6185	4729	6711	3715	0	0	2738	3124	0	2797	0	3625	0	2771	0	4787	3217	2868	6415	28276	13072	8836	3956	0	0	4918	3356	1299	0	1454	0	3595	0	0	7529	1443	0	3773	2017	Peptide	0.42105263	1.5263158	0.15789473
4	C19 H29 O8 N3	428.20273	428.20337	-0.23163667	428.20264	6636	8318	6057	7581	3764	4446	3409	10441	5905	3266	1836	4371	6146	2628	7275	10479	6914	7385	8388	6939	4740	8700	7855	9933	7510	639	3494	0	8342	5953	6583	7708	8405	6274	5593	9695	12211	7021	10192	4121	3585	4227	0	0	0	5150	3854	0	9430	6646	7106	6312	5481	0	9355	3741	2944	9548	6175	3454	10038	3273	5876	6215	3001	7283	5539	7682	0	1670	0	7120	5713	7415	3698	5673	0	5644	6648	0	4754	2791	4122	1653	4708	4083	6502	3639	5951	10030	20326	19017	18675	2651	5211	0	6923	7733	3711	3363	4248	9534	5202	9455	0	7142	3961	0	4537	8411	Peptide	0.42105263	1.5263158	0.15789473
16	C19 H29 O8 N3	428.20273	428.2034	0.1292812	428.2028	0	0	3541	2295	0	2203	2738	3799	0	0	1274	1661	0	1089	2504	2813	0	0	4239	2458	0	3742	3839	6224	4255	0	3393	4569	3743	2996	4549	0	3582	0	0	0	0	3656	3448	0	0	2176	0	0	0	0	0	0	0	1466	3360	3479	1165	0	0	0	0	4948	0	0	0	0	0	0	0	2610	2468	0	0	0	0	2200	2374	4263	4058	3250	0	2487	3194	0	2037	1812	2271	0	0	1291	4496	1636	1963	0	23806	12547	0	1695	0	0	0	2224	0	0	0	2727	2437	2354	0	0	0	0	3477	2384	Peptide	0.42105263	1.5263158	0.15789473
8	C19 H29 O8 N3	428.20273	428.2033	-0.23934518	428.20264	15542	16082	13001	13719	6083	7355	8785	17995	8281	10264	3228	8549	11493	2059	14606	15232	8101	8844	15461	11960	8538	22784	13322	21453	16511	1463	9661	5349	16908	9682	13720	19145	21868	15216	16359	17078	23165	11331	11963	13205	4223	6667	0	0	0	15420	8406	0	19516	13703	11794	16195	7034	0	12590	3122	3739	17670	12613	6506	15304	4850	9005	10103	3089	10224	8443	11644	0	7371	2754	13777	12794	16658	6679	14512	0	13038	12229	0	6668	4487	10274	3249	3980	3927	10528	6312	7159	18757	36477	43651	37055	6786	8472	0	14227	16634	3542	3569	2631	18120	9148	12474	0	17662	4797	0	12583	10246	Peptide	0.42105263	1.5263158	0.15789473
6	C19 H29 O8 N3	428.20273	428.20337	-0.21789356	428.20264	16197	14391	12423	13212	5945	6526	9897	20229	9425	8101	3347	8687	9946	3436	17405	18968	10018	11417	15463	10506	8155	20716	13241	20715	11788	1301	7955	8059	19543	14523	15486	21098	23760	17269	14636	15795	20478	10263	13662	7858	5421	8202	0	0	0	11889	4025	0	15239	12379	12428	14942	8005	0	15577	4654	4847	23525	12342	3440	23382	5556	11962	9523	4216	10257	10782	14520	0	4426	2488	15720	14932	13771	5909	12267	0	9674	12186	10286	7132	6112	7519	3853	6465	5801	12784	8142	9060	23784	41848	44239	39130	5859	9037	0	11133	16620	3936	4222	5445	19245	8572	15686	0	19449	6521	0	10207	14111	Peptide	0.42105263	1.5263158	0.15789473
14	C24 H29 O6 N1	428.20676	428.2072	-0.30011877	428.20663	21777	17928	17200	13709	8572	11017	12075	16218	7150	37608	33780	7221	7313	6704	9217	22612	13892	7989	10081	52224	48223	16432	10022	15431	15750	66190	8215	46434	9788	10451	13588	8913	16718	10889	49124	8691	13959	8440	20479	37117	36293	4523	0	0	0	19065	24918	0	13364	11948	13067	16245	7858	0	7240	3640	6793	18278	0	11227	0	12994	8578	5486	5856	8600	9983	20964	41674	75646	72882	9795	10213	10849	10159	11100	0	11306	13047	0	9519	5447	8013	24205	6195	3463	17247	8610	8259	44753	21211	11451	31314	18782	28813	0	17908	15408	6884	4125	3599	19156	9506	18275	0	16521	5782	0	11494	4834	Phytochemical	0.25	1.2083334	0.041666668
12	C24 H29 O6 N1	428.20676	428.20728	-0.25522506	428.20667	16583	12338	11586	13214	6810	5620	6067	10018	6076	36867	26962	5412	4116	6069	6595	11220	10140	5217	10641	47649	50326	13074	7110	11145	8243	55769	5215	38564	6504	9010	8998	9311	14115	9243	38978	9795	11789	5203	14782	29627	22107	5254	0	0	0	17908	16244	0	11682	11209	12645	15127	5710	0	5482	3788	3644	15086	0	0	0	13449	6975	5767	2250	5013	9751	10770	39172	73954	63981	11363	7652	8538	8512	8704	0	8987	7991	0	6093	4272	2571	21512	3731	2639	8781	4825	7922	20151	16046	4627	22920	16889	21532	0	14863	11828	4505	2485	4909	10896	4156	13231	0	9527	3394	0	7799	5077	Phytochemical	0.25	1.2083334	0.041666668
10	C24 H29 O6 N1	428.20676	428.20728	-0.25215387	428.20667	13590	11583	8700	11094	4941	5278	6353	10787	5890	35677	22443	7084	4332	4524	4273	13600	11967	5325	6081	47292	51037	11565	5406	10316	6646	50687	5265	23623	11361	9896	9486	13136	15240	10450	40204	10405	12066	5912	10543	26188	17773	4308	0	0	0	16221	13086	0	14464	8719	13922	12623	5939	0	3834	2976	2618	10893	0	3879	13417	11336	3081	5866	2732	4549	6426	13306	38775	62924	57439	12819	8504	8742	9094	8144	0	6146	7703	9305	6213	3617	826	21567	3101	4227	7004	5650	3933	18677	14294	7925	17320	10361	23858	0	14392	13721	5050	2336	1869	13849	6008	11719	0	10043	2423	0	5838	3073	Phytochemical	0.25	1.2083334	0.041666668
8	C24 H29 O6 N1	428.20676	428.2073	-0.27385592	428.20663	11222	11091	7913	9328	4186	3319	3967	9736	3842	21601	13578	6660	2815	2889	6356	10856	6126	3368	5094	33453	33645	10594	4873	12283	6622	28948	4636	15697	7797	7588	7821	10084	8265	9015	28059	12408	10013	5245	9423	16605	11019	4341	0	0	0	9629	15373	0	11284	9842	13584	11810	2792	0	4056	1988	2271	7551	0	1138	10307	6771	3531	1585	2887	3706	5056	12907	20091	32561	38792	10257	8064	8863	7635	9216	0	5461	8047	8735	4670	1382	1046	13439	2091	0	4888	3925	4717	12266	0	0	15784	7640	17130	0	8940	9263	3673	1361	0	9251	5119	10505	0	8866	0	0	6229	2587	Phytochemical	0.25	1.2083334	0.041666668
26	C24 H29 O6 N1	428.20676	428.20718	-0.23812114	428.20667	12174	13008	14196	12614	11232	8188	4511	15330	7773	17072	18960	5714	9672	10727	9768	17537	11128	8700	14945	19596	15913	20380	11655	23540	10878	30525	2013	19623	10465	8347	15864	8638	18961	9906	14697	14220	19742	5925	11343	14740	23601	6631	0	0	0	13895	9649	0	13220	9873	11741	12674	8110	0	6612	0	3587	25631	8125	7994	23671	9457	5377	5323	0	9582	9967	15331	31876	27382	39921	8188	9493	11125	7608	12211	0	7094	11167	11674	7180	6304	6771	14437	5310	0	15833	8454	9534	19110	15787	16641	34390	11120	12627	0	14910	10842	5033	8954	8718	20548	5208	9923	7675	23240	5933	0	7720	7272	Phytochemical	0.25	1.2083334	0.041666668
2	C17 H33 O11 N1	428.21265	428.21353	0.0916974	428.21268	3589	3061	2701	2627	967	0	3728	8367	1243	0	0	5895	1475	917	3881	878	5795	1448	1406	0	0	1399	3272	2327	1313	0	1567	3005	8619	12213	9231	13714	5614	2737	1284	13854	6574	3684	8465	0	0	0	0	0	0	1410	0	0	9047	8358	3477	0	963	0	1665	598	657	2924	574	324	1708	0	912	936	0	1766	1866	7519	0	281	0	2279	11807	26149	775	9956	0	4771	2920	9778	3388	0	0	0	1057	609	2371	1329	1483	7511	8188	3726	5546	1217	0	0	3213	3167	550	400	532	4479	3927	806	624	4298	0	0	2258	1747	Unclassified	0.64705884	1.9411764	0.05882353
26	C21 H33 O8 N1	428.2279	428.2283	-0.24565513	428.22778	12965	10758	15390	11565	7775	5757	4907	16437	14302	19727	6576	5912	25034	5426	7880	11550	0	15530	22347	25036	18515	10534	8985	13313	7090	14427	4359	6842	8950	7195	9657	9984	12380	12001	21913	11390	12817	10481	8149	12677	11074	6606	0	0	0	9033	0	0	11826	13339	13817	8588	9488	0	18672	8632	3118	11003	4924	4008	12091	7594	20765	12158	4297	23191	8083	6008	11125	26171	23221	13442	13037	14818	6132	8866	0	5900	10661	0	6224	4435	7685	4759	17097	7651	9525	6703	7108	9518	14407	12520	13729	5646	6422	0	13443	11133	7632	13014	14499	11278	6593	7218	5833	9678	6054	0	6039	23215	Lipid	0.3809524	1.5714285	0.04761905
16	C20 H33 O7 N3	428.23914	428.23956	-0.23025946	428.239	0	8898	4895	0	1857	1509	0	23549	0	3441	6791	6152	2361	0	4585	63777	45748	0	0	0	0	6936	0	5135	10655	0	20605	16513	13257	0	37895	21935	0	2044	1685	44188	4805	3938	0	0	0	0	0	0	0	1762	0	0	11768	48686	7299	3966	1345	0	0	1377	1170	16836	0	0	15174	0	0	1355	1224	0	2998	53024	0	0	0	3750	1233	15717	285036	20350	0	2846	0	0	4186	0	5097	0	3263	1740	3673	1102	2088	28668	102708	97181	0	3014	1695	0	5966	5381	0	0	1550	4216	5221	0	0	0	0	0	16215	0	Peptide	0.35	1.65	0.15
12	C25 H33 O5 N1	428.24316	428.24365	-0.27524135	428.24304	5429	5579	2485	5155	0	4348	2359	7216	1754	10526	13139	4419	0	1910	5855	9317	6508	2024	2586	25355	22180	0	6838	12772	7628	23441	5963	15349	13832	9340	9245	11315	13690	11041	17218	14004	13797	4057	8233	10672	0	5367	0	0	0	4613	5876	0	10108	7305	5773	7868	3434	0	0	0	2327	7670	0	0	0	0	0	1169	1698	0	9235	10631	0	25786	19384	7907	8456	11101	7845	9518	0	3781	3844	0	4572	777	0	9220	1009	2006	1911	4393	3785	17034	12359	0	17471	3392	8863	0	4976	4021	0	0	0	11825	5599	7071	0	9074	942	0	3390	0	Lipid	0.2	1.32	0.04
14	C25 H33 O5 N1	428.24316	428.2436	-0.24310875	428.24304	6587	3564	5731	5346	1785	2334	4019	8102	1323	7689	13587	4051	0	1909	3810	6646	10610	1760	1962	31408	16009	0	4044	6941	4107	24951	5766	12032	5624	8554	8256	0	13451	5299	17665	6708	8867	4906	5914	10581	0	5691	0	0	0	3181	0	0	7122	5993	5828	5749	2236	0	0	0	3114	9026	0	0	0	3114	0	1682	2736	0	6601	12552	14042	23773	23277	3772	4679	7358	5087	7083	0	4004	4719	0	4839	0	0	5248	1411	0	5352	3554	8256	14005	9256	0	6729	4334	11561	0	5444	2984	0	0	3609	13288	5645	5108	0	6279	0	0	5995	0	Lipid	0.2	1.32	0.04
26	C25 H33 O5 N1	428.24316	428.2436	-0.22169939	428.24304	25533	22066	23794	22454	14059	8872	19703	16824	12538	15977	31327	16512	14005	10051	15232	39126	83881	8412	12944	28208	30260	12766	15117	31825	27470	60939	24734	53530	32655	22920	25258	25059	50880	24761	11562	33624	47467	14354	76614	23808	22416	17547	0	0	0	21581	16358	0	24244	22658	21715	21565	13770	0	9830	9233	8643	38388	10147	10889	41833	12641	7899	7667	7171	16000	17506	81728	56058	38360	48691	16478	22449	21893	17624	24738	0	19932	29180	108583	21347	11239	13453	21666	11598	8321	41121	24132	16136	57296	35289	20618	35797	21692	15614	0	21007	19856	9339	14303	13321	62593	12854	19337	15777	36662	10057	0	38300	7160	Lipid	0.2	1.32	0.04
10	C25 H33 O5 N1	428.24316	428.24368	-0.26692528	428.24304	6452	5761	9376	4217	1005	3050	4305	10776	0	11750	6895	5080	0	0	5392	9362	10163	1856	2408	21942	14114	2870	4200	10984	5089	14738	6041	8521	11821	8304	8850	11117	14143	7843	11313	9448	15699	5300	8618	9027	1354	5336	0	0	0	3779	4583	0	12384	6925	5438	6956	1496	0	1082	0	4382	9603	0	0	10118	2558	0	0	1594	1422	5222	20284	8743	14639	13865	9893	7388	5742	9404	8510	0	5510	5045	0	6604	0	0	5558	0	1273	2918	3358	3688	12487	8070	0	13129	3769	7487	0	6470	5748	0	0	0	15063	4672	5324	0	8675	0	0	3040	0	Lipid	0.2	1.32	0.04
18	C25 H33 O5 N1	428.24316	428.24356	-0.25557637	428.24304	9128	6464	5211	4736	1547	2086	7009	7438	1048	16339	15093	5347	0	3040	4222	8799	10651	0	4041	15892	12872	2675	4187	7186	5281	31198	6669	11910	3829	8317	7092	6838	14033	5700	6020	9791	11730	5142	16540	7902	15932	3929	471	0	0	2911	5973	0	8225	6282	5667	9407	2684	0	0	0	2421	10559	16371	11604	5770	5554	2303	1591	1258	2221	4658	16162	22157	22414	30205	5660	3782	7975	9560	5789	0	4740	8563	8088	7677	0	4123	7180	1410	2015	6078	6320	4708	32582	11657	6955	11297	6475	8142	0	6262	8542	3024	1806	3086	13743	4698	13689	14692	9113	2262	0	6348	0	Lipid	0.2	1.32	0.04
16	C25 H33 O5 N1	428.24316	428.24356	-0.23984092	428.24304	9241	10129	6965	7170	0	1855	1927	4432	2102	19805	14238	1553	0	998	4199	5556	10058	0	3589	17434	12382	3213	2031	5237	4451	21371	6417	14156	3908	4498	6009	7623	10935	4971	13653	5383	6908	3816	10614	11201	6463	3059	0	0	0	2786	3036	0	7010	5848	7715	8520	2053	0	0	0	3113	6123	30916	8718	0	3567	0	0	1705	0	4553	10444	11719	22730	21591	6060	5039	4874	4569	5616	0	4258	3193	3759	3247	0	2225	6217	0	1189	4706	2666	3107	0	6373	2389	0	1836	5244	0	8643	4655	1917	1659	0	10502	3159	18874	39663	0	0	0	4652	0	Lipid	0.2	1.32	0.04
6	C18 H37 O10 N1	428.24902	428.24954	-0.1831014	428.24893	1259	1190	780	1397	3481	1575	0	0	687	0	935	0	1631	1763	0	906	0	628	0	0	0	0	0	0	0	0	0	13442	0	0	0	0	0	0	0	0	1266	0	0	0	0	2818	0	0	0	0	0	0	0	0	1659	1954	2172	0	1711	0	1423	0	0	0	0	0	0	864	1563	3278	6265	0	0	0	0	0	0	0	0	0	0	0	0	46823	0	0	0	0	0	0	913	0	0	0	84548	35174	0	4754	0	0	0	686	864	0	0	0	0	0	0	0	1412	0	0	1285	Lipid	0.5555556	2.0555556	0.055555556
12	C18 H37 O10 N1	428.24902	428.2496	-0.057766333	428.249	0	3313	1771	3441	0	0	0	0	0	3365	4061	0	0	1262	0	0	0	0	0	2089	1320	0	0	0	0	0	5870	22846	0	0	0	0	0	1339	0	0	0	0	0	0	5117	0	1575	527	534	1625	4302	702	1292	0	0	2127	0	739	0	0	728	0	0	0	0	3506	6502	0	0	0	1550	0	0	5694	8265	0	0	0	0	0	470	0	0	25257	0	1953	0	0	0	780	0	0	0	0	0	0	2391	0	2571	550	2338	0	0	0	0	0	0	2576	0	0	0	564	0	1562	Lipid	0.5555556	2.0555556	0.055555556
4	C18 H37 O10 N1	428.24902	428.24988	-0.18858339	428.24893	1145	2171	0	0	3173	8196	329	503	1132	0	0	0	711	5984	558	432	3162	976	1457	0	0	0	0	0	933	0	0	12898	0	0	335	0	0	0	0	0	0	0	1949	0	0	33635	0	0	0	0	0	0	0	0	1147	1544	7486	0	1931	0	5446	582	0	0	0	0	604	5945	10344	16279	46581	4668	0	0	0	0	0	0	0	0	0	226	534	116847	0	0	0	0	2014	1653	0	840	1945	968	87291	27007	589	6161	0	0	1505	2405	0	0	530	0	0	0	0	0	1296	0	459	656	Lipid	0.5555556	2.0555556	0.055555556
2	C18 H37 O10 N1	428.24902	428.2501	0.4342844	428.2492	2129	0	1829	0	0	0	601	712	0	12276	14924	0	0	296	908	511	744	0	0	0	425	470	449	1155	717	0	0	40652	684	864	664	906	1721	973	4422	549	1211	421	1995	0	0	0	0	0	0	367	583	0	883	1047	2244	1594	649	0	416	0	0	780	0	0	664	0	0	0	0	0	0	1132	0	0	0	804	1192	1255	0	524	0	986	0	261134	573	0	0	0	0	241	349	464	0	1259	73868	43819	1360	13033	11757	0	2435	1966	0	0	0	0	0	558	0	0	0	0	459	464	Lipid	0.5555556	2.0555556	0.055555556
10	C19 H33 O6 N5	428.25037	428.2506	-0.402736	428.25018	2071	0	1205	2328	0	0	1719	1840	0	2391	5109	849	0	0	0	1500	1147	0	0	1509	0	2326	0	0	0	0	5448	22649	0	0	0	0	0	0	0	0	0	994	0	0	2130	804	1108	0	0	0	2653	0	0	0	0	1261	0	0	0	0	0	1981	2003	2130	17524	2292	4559	0	0	0	0	0	11663	2898	1914	0	0	0	0	0	0	0	0	38283	0	1036	0	0	0	0	0	0	0	8677	13007	0	2323	3243	1437	0	1603	0	16640	0	0	1314	851	2522	0	0	0	0	0	0	Peptide	0.31578946	1.7368422	0.2631579
16	C22 H37 O7 N1	428.26428	428.26468	-0.25249064	428.26416	4631	5790	5144	9873	2290	3667	9384	12948	3286	3092	1755	7222	3516	4353	12844	18970	19168	2911	5471	3244	4665	3723	5409	9011	5989	3212	11370	0	10588	10737	11278	13287	18059	8009	2075	13477	11238	6718	13484	1510	0	3767	0	0	0	3550	5132	0	11463	15702	7171	6068	3971	0	3923	5642	2261	9261	0	3573	11210	0	3984	2712	2767	2166	5906	16588	0	2384	3199	8136	9999	11732	18987	10581	0	6825	9545	4258	5983	1538	3955	1900	8870	4675	11529	4329	7343	50962	13537	4960	0	0	4302	0	5709	8206	3438	5284	8034	12273	5577	5916	0	0	3420	0	6280	2597	Lipid	0.3181818	1.6818181	0.045454547
18	C22 H37 O7 N1	428.26428	428.2647	-0.30148596	428.26416	16087	14996	13295	12377	10417	7225	19494	17711	6779	6319	7891	12119	13796	10540	11011	26388	26835	8391	16332	8434	10399	6859	13218	19317	11095	9570	21948	8892	22908	24481	14699	18293	16775	16373	8500	23679	15590	12933	24721	7809	4110	11907	0	0	0	8870	6370	0	19945	16476	13647	14042	8796	0	16456	14114	11435	19150	7307	5985	19848	5764	11488	12220	10696	11611	14491	24565	3785	0	4428	12724	12621	20846	27713	16160	0	11360	11094	6111	9408	4001	25220	16847	15755	12465	19225	8651	11743	24071	23510	19466	21741	3892	5291	0	12068	18013	9815	15414	22793	25144	10417	17327	5232	13199	12447	0	13597	10361	Lipid	0.3181818	1.6818181	0.045454547
26	C22 H37 O7 N1	428.26428	428.26465	-0.27639642	428.26416	10585	10470	14253	11139	16698	8316	12227	10752	14414	12619	6160	3845	18574	9763	9718	9445	7480	21567	28359	14999	12388	14238	0	11416	12401	0	8804	14663	19655	6270	7957	9561	17475	10885	16438	15350	20490	9358	6959	10423	5941	7107	0	0	0	6527	0	0	9782	6883	10694	11956	11892	0	28412	9101	11875	12355	10934	4477	10325	9631	26511	12515	10674	27603	21152	6508	0	13825	5410	8161	10537	15593	0	9187	0	8522	7765	6561	4013	4845	10387	6786	12298	9661	13242	5901	4905	8656	21638	34016	15774	5520	6348	0	11956	13214	7751	9632	13180	13907	4844	12994	20666	9254	8773	0	5421	15256	Lipid	0.3181818	1.6818181	0.045454547
8	C26 H37 O4 N1	428.27954	428.28015	-0.11991017	428.27948	2202	2417	3301	2684	0	0	1263	2997	0	0	0	1404	0	0	1204	3075	892	0	0	0	0	0	0	3271	1213	0	1852	0	2162	3891	2754	1761	3204	1808	0	2563	4142	0	1021	0	0	0	0	0	0	0	0	0	0	3637	4105	2165	0	0	0	0	0	2365	0	0	0	0	0	0	0	0	0	4361	0	0	0	2628	2672	5910	1960	2035	0	1775	0	0	0	0	0	0	0	0	0	0	0	177412	0	0	240450	0	0	0	6175	5482	0	0	0	2346	1280	0	0	37240	0	0	0	0	Lipid	0.15384616	1.4230769	0.038461536
16	C26 H37 O4 N1	428.27954	428.27994	-0.24835947	428.27942	1756	0	3199	3468	0	0	1654	8494	0	0	0	6145	0	0	2568	5297	0	0	0	0	0	0	0	0	3299	3391	4147	1958	10823	11768	7968	6528	8885	4880	0	12907	11629	2428	0	0	0	1264	0	0	0	0	0	0	4294	15234	1409	1774	0	0	0	0	0	2762	0	0	0	0	0	0	880	0	0	7779	2753	0	2149	6082	14423	30996	13526	15510	0	6501	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2451	0	0	0	0	12056	6248	0	0	0	0	0	0	0	Lipid	0.15384616	1.4230769	0.038461536
14	C26 H37 O4 N1	428.27954	428.28003	-0.17701459	428.27945	4847	3051	3936	2156	0	0	2211	6879	0	0	3136	9592	0	0	6116	7627	2520	0	1576	3122	1512	0	2597	3344	5490	2907	5444	0	17070	24398	15903	25146	16262	12272	0	19596	13245	6805	0	0	0	1346	0	0	0	0	0	0	14745	9835	4195	2225	0	0	0	0	1131	4888	0	0	0	0	0	0	0	0	0	5890	0	0	0	7052	14711	20552	20943	16856	0	9540	0	0	0	0	0	0	0	0	0	0	2615	19263	0	0	5435	0	0	0	1676	0	0	0	0	14205	9342	0	0	6155	0	0	1561	0	Lipid	0.15384616	1.4230769	0.038461536
12	C26 H37 O4 N1	428.27954	428.28006	-0.2612256	428.27942	9021	11889	7900	9087	0	0	0	4604	0	0	2025	2988	0	0	2977	4827	0	0	0	0	0	0	1849	3968	2706	1092	2819	0	19067	4957	7916	13684	9848	13763	0	10797	10439	2519	1489	0	0	1388	0	0	0	0	0	0	14405	4198	7900	8567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1504	4849	0	0	0	5747	21411	8416	7002	7971	0	2857	1281	0	1336	0	0	0	0	0	0	0	0	768536	10527	0	258627	0	3908	0	9550	8706	0	0	0	10416	4753	0	0	41243	0	0	0	0	Lipid	0.15384616	1.4230769	0.038461536
24	C26 H37 O4 N1	428.27954	428.2799	-0.26488838	428.27942	3481	6002	2742	4102	2664	1586	4859	6738	1004	2821	8071	10141	0	1350	6745	20336	8252	1278	3056	4373	3052	4397	5710	5455	3446	12873	4306	5059	7159	8226	5364	5514	3532	4037	2226	8473	5122	8385	8702	2505	7561	3154	0	0	0	2094	3158	0	5733	6481	5093	4181	3505	0	2035	1134	1489	15963	2340	4331	23128	3375	0	1170	2806	2137	4071	11738	7559	4187	7754	4520	6042	11935	6208	7020	0	12441	4911	7118	2145	1060	3327	2462	1090	0	5804	1861	3160	55419	7566	4557	36884	2857	1721	0	5693	3404	1160	3357	2215	9164	11044	6092	1989	10559	2079	0	6246	0	Lipid	0.15384616	1.4230769	0.038461536
16	C19 H41 O9 N1	428.2854	428.286	-0.10556874	428.28537	92376	96241	98689	94378	13084	6665	0	112912	1676	92650	15269	1433	15528	16933	0	170946	3099	9635	5090	123996	13242	13130	19553	33893	1612	2672	0	7768	39639	19867	158815	667332	29541	57852	16628	38446	62709	0	3513	135764	2568	12896	30118	0	435	123103	262481	0	312220	87750	104701	93943	3913	18677	2952	1684	6154	89715	4056	13335	74438	12377	17265	354862	4814	3816	1974	15873	9119	397747	20188	64847	142885	33718	51813	157495	500	2487	0	0	0	0	0	1694	0	1175	0	10439	8624	0	245795	20586	0	0	62688	2721	93582	105677	10717	0	1257	8660	36420	5057686	58820	25319	0	0	0	5525	Lipid	0.47368422	2.1578948	0.05263158
14	C19 H41 O9 N1	428.2854	428.286	-0.20796277	428.2853	5466	3904	5382	5102	0	0	0	0	1497	8483	13190	0	0	0	0	0	0	0	0	0	2475	4947	0	0	0	0	0	0	0	0	0	0	0	0	7055	0	0	0	4021	12693	14926	0	0	0	0	6101	28357	0	0	0	5593	4556	1075	9740	0	6956	12870	0	171206	5206	0	20405	1642	0	695	2668	0	5749	0	0	3902	0	0	0	5966	0	0	0	0	0	0	0	0	0	0	0	0	3053	0	4016	2981	4862	4022	0	0	0	5601	5038	4451	0	0	2510	0	6687	769593	2880	0	0	0	0	Lipid	0.47368422	2.1578948	0.05263158
2	C20 H37 O5 N5	428.28674	428.28705	-0.44096106	428.28656	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4025	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	608	0	0	0	0	0	0	0	0	0	823	0	0	0	0	0	0	0	0	0	0	0	0	19306	0	0	0	0	0	0	0	0	0	0	21417	2769	0	771	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.85	0.25
24	C23 H41 O6 N1	428.30066	428.301	-0.28090528	428.30054	5732	6302	6864	7362	3020	3115	95988	2727	1839	1369	3093	1211	5166	15777	4271	4215	6251	3887	5644	1599	1706	2251	1225	2432	4259	8394	82489	9739	6296	9225	3041	6256	6482	3046	1864	8692	8291	5737	7174	1103	2453	3712	3809	0	0	1898	0	0	6577	3846	5577	5847	4808	0	1779	2406	3406	5207	3139	3537	5318	1497	8953	1758	10614	18169	20951	5150	0	2575	0	2796	2705	5088	4448	8136	0	3486	2439	11830	1294	3461	24367	20759	3779	5578	5999	2685	4965	5566	23986	17267	4455	2890	1976	0	5214	4829	3255	2221	3504	8626	1233	4459	5929	2722	3250	0	3012	5539	Lipid	0.26086956	1.7826087	0.04347826
22	C23 H41 O6 N1	428.30066	428.30096	-0.2654814	428.30054	0	1555	1650	0	1567	0	29375	0	1191	0	0	0	0	0	0	0	3255	0	0	0	0	0	1144	0	1641	2389	25507	0	0	0	0	0	2657	1442	0	1882	0	1854	1470	0	0	1276	0	0	0	0	1240	0	2276	1313	1365	1601	0	0	0	0	1368	0	0	0	1268	1010	3499	0	2021	3028	3262	2082	0	0	1773	0	1221	2469	2166	2803	0	0	0	2109	0	1243	11896	12744	1908	0	1853	2696	1225	4264	5550	0	2844	0	0	0	2638	1756	1142	1491	0	2645	0	0	0	0	1355	0	0	0	Lipid	0.26086956	1.7826087	0.04347826
8	C27 H41 O3 N1	428.31592	428.31635	-0.28154957	428.3158	0	0	0	0	0	0	5052	30337	0	0	0	20845	0	0	4936	14126	0	0	0	0	0	0	0	0	0	0	12269	0	0	0	889	0	0	0	0	0	0	5393	0	0	0	0	0	0	0	0	0	0	0	38909	823	0	0	0	0	0	0	2925	0	0	17782	0	0	0	0	0	0	0	0	0	0	10834	0	1374	0	0	0	23900	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1379	0	0	0	0	0	16358	0	0	0	0	0	0	0	Lipid	0.11111111	1.5185186	0.037037037
24	C24 H45 O5 N1	428.33704	428.33688	-0.2245892	428.33694	0	0	0	0	0	0	37687	0	0	0	0	0	0	8080	0	0	0	0	0	0	0	0	0	0	0	0	35051	0	0	0	0	0	0	0	0	0	0	0	1236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1187	0	0	3415	0	4721	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5378	6727	0	0	0	0	0	0	0	0	0	0	0	0	1001	0	1297	0	0	0	0	1282	0	0	0	0	0	0	Lipid	0.20833333	1.875	0.041666668
26	C24 H45 O5 N1	428.33704	428.33682	-0.19960453	428.33698	0	0	2564	1861	0	0	81217	0	0	0	0	0	0	27987	0	0	0	0	0	0	0	0	0	0	0	0	83622	4842	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3947	5316	0	4200	0	20355	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4042	11128	5651	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.20833333	1.875	0.041666668
28	C20 H12 O11	429.04523	429.0456	-0.21144804	429.04514	9027	8241	10176	9325	21627	9571	3581	0	19720	3856	0	4195	31461	10218	5610	3929	2121	34368	29156	2366	2739	8979	10192	4497	3157	0	4615	0	0	0	2951	1421	3055	1508	5527	0	5265	5561	2251	1690	1835	4527	0	0	0	0	3544	1704	2567	0	8071	9607	15504	0	24574	14112	7416	3923	2004	1469	4238	2540	40164	22359	7537	25505	6890	3581	0	1395	1516	1385	1086	0	0	0	0	3127	17625	3414	15619	1393	2039	0	32331	15238	17807	8279	8460	6517	1748	1981	4773	7912	12418	0	8030	7966	11500	20958	25350	4308	3713	2701	2393	3294	13658	0	6051	35136	Phytochemical	0.55	0.6	0.0
16	C20 H12 O11	429.04523	429.04578	-0.039129518	429.04523	3476	6823	3284	3746	16746	5155	0	0	17100	3102	3894	1194	22364	3596	0	0	0	12975	15149	3055	4514	15868	6314	0	0	0	0	0	0	0	1218	0	2161	0	9005	0	0	1084	1546	0	2016	2185	254	0	0	1679	6806	572	0	0	3926	3826	9158	0	12973	16060	5874	0	0	2293	0	2235	35444	15550	5033	19174	5143	0	0	0	0	0	0	0	0	0	0	0	4945	5510	5635	4276	1036	0	18751	7113	5728	5117	6398	0	0	0	0	18186	5349	0	5058	2822	10771	20878	26079	0	1982	0	0	0	11254	0	1956	25669	Phytochemical	0.55	0.6	0.0
18	C20 H12 O11	429.04523	429.0458	-0.061272666	429.0452	8893	5745	5038	8439	22370	8818	2708	0	19489	2185	2093	1506	34708	9401	2362	1774	2115	20516	24527	0	5710	13453	6726	0	1678	0	3295	0	0	0	0	0	4378	0	5184	0	3139	4913	2355	0	4782	5422	666	0	0	1454	8526	609	0	0	7063	7992	12537	0	18943	17996	6300	1558	1713	1793	2144	2930	37243	20564	8788	29279	7408	1586	0	0	2021	0	0	0	1555	0	292	1375	10508	8591	10857	5770	0	0	27111	10378	8160	7942	9715	5851	0	0	3184	22002	9983	0	10616	6905	20528	26184	27094	4070	2696	0	3075	0	15259	0	3117	33376	Phytochemical	0.55	0.6	0.0
24	C20 H12 O11	429.04523	429.04562	-0.2039716	429.04514	8620	5330	5516	5303	15955	11851	1952	0	19158	2242	1392	3967	32893	10898	5424	5402	2578	24203	22198	2426	4214	6639	8657	1847	2438	0	2790	0	1706	1602	1744	1395	3871	1285	4348	1563	2616	6368	2313	1847	1668	5287	0	0	0	1180	2997	0	2108	0	5368	5347	10509	0	21612	15096	7692	4994	1139	1861	4498	0	32776	19369	7961	22455	4678	1606	0	0	1635	1359	0	0	2873	1404	0	3524	16165	4394	16812	2775	975	0	28996	15430	10988	7275	9845	2845	1545	0	3178	7717	7501	0	7627	6296	10668	18968	21522	3379	2667	1544	1778	4184	10539	0	4032	35368	Phytochemical	0.55	0.6	0.0
22	C20 H12 O11	429.04523	429.0457	-0.20636228	429.04514	6928	9647	6599	7476	17345	12824	4877	3985	17621	5969	0	2116	24514	11656	6762	4508	2634	25923	18248	1881	4544	11847	6612	5807	2203	0	1230	0	2299	1203	3533	0	3129	1734	4254	1179	3686	5806	2365	0	2342	8868	0	0	551	0	5776	0	2091	0	7194	7205	9642	287	15723	19767	9429	3911	1301	2915	2837	1339	32038	19949	8587	28817	9615	3337	0	0	0	0	0	0	2953	1741	558	3994	18532	4571	12925	4381	0	1519	31584	13172	16536	11976	12594	5867	0	0	4451	14247	14534	0	5247	7288	14806	23334	25724	3850	3519	0	2310	2715	12545	0	4593	32109	Phytochemical	0.55	0.6	0.0
14	C20 H12 O11	429.04523	429.04584	-0.091066636	429.0452	2144	3211	0	2988	10120	2583	0	0	8983	0	1896	0	16013	1717	0	2142	0	8087	7248	0	4436	7830	1940	0	0	0	0	0	0	0	0	0	0	0	2800	0	0	0	0	1315	0	2055	0	0	0	0	0	0	0	0	0	2668	3993	255	4672	8746	3767	0	0	0	0	0	20225	7722	2085	10819	1006	0	0	0	0	0	0	0	0	0	0	0	2425	0	1858	1588	0	0	12866	4877	1515	1674	3374	0	0	0	0	14892	5798	0	2063	2570	6387	15221	12292	0	0	0	0	0	5825	0	0	12515	Phytochemical	0.55	0.6	0.0
20	C20 H12 O11	429.04523	429.04575	-0.10976393	429.0452	14397	11538	11694	7295	22134	10543	3952	2135	24633	2297	2594	3540	38397	9221	8170	3879	3559	26086	22388	2463	2393	13986	9200	3559	3558	0	6142	0	1559	0	1712	0	3901	1494	4919	1619	4178	2679	1840	3765	2792	7188	620	0	348	3682	6814	1798	2032	1425	8182	12574	14317	0	22966	23072	7982	5333	1017	2124	5092	2304	39890	23329	10221	28517	9137	3052	0	0	0	0	0	0	2568	1510	488	2917	19313	7252	12153	1822	0	0	29915	11985	9691	10220	11775	6277	0	2388	4856	15848	7581	0	7629	6995	16854	27459	33222	4260	4316	2295	4495	2631	16179	0	4130	34048	Phytochemical	0.55	0.6	0.0
26	C20 H12 O11	429.04523	429.0456	-0.23157434	429.04514	6052	8578	6159	9075	20012	7868	3527	0	20058	4204	0	3213	33381	9724	6175	0	0	39160	29125	0	0	8430	7877	5573	0	0	2693	0	0	0	0	0	3999	0	3366	0	4456	6099	0	0	2550	0	0	0	0	0	0	0	0	0	8293	8124	10963	0	23354	15504	9042	2459	0	0	4607	0	39734	20528	6115	20341	6756	2414	0	0	0	0	0	0	0	0	0	3534	19503	0	17989	2557	0	0	28336	15844	10667	9709	8001	4230	0	0	5207	7217	8805	0	5947	10732	13720	25617	25038	0	3354	0	0	1315	12429	0	3901	35528	Phytochemical	0.55	0.6	0.0
10	C17 H16 O13	429.06638	429.067	-0.14985351	429.0663	3254	5023	2281	0	13751	3990	0	0	15662	0	2789	2568	24006	2417	1445	0	0	11030	11622	0	2319	4109	1515	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1012	0	0	1686	4819	0	0	0	0	0	0	0	0	2778	2378	5788	0	9537	15845	4444	0	0	0	0	0	31382	16790	3013	12013	3459	0	0	0	0	0	0	0	0	0	0	0	1760	0	2472	671	0	0	14366	2115	2037	4318	2542	1476	0	0	1759	5883	0	0	2595	1866	12449	24288	17153	0	1683	0	0	1280	7631	0	0	28428	Phytochemical	0.7647059	0.9411765	0.0
12	C17 H16 O13	429.06638	429.067	-0.05674242	429.06635	8326	10600	8744	11238	37804	14890	0	0	41588	0	5016	4234	66098	8158	1950	0	0	25356	25208	0	2054	11208	4546	0	0	1021	0	0	0	0	0	0	0	0	3326	0	0	2488	0	2992	0	10484	704	0	0	3984	0	0	0	0	17106	8270	18678	0	26184	38120	15488	0	0	0	0	0	91538	51362	12664	46050	10432	0	0	0	0	0	0	0	2714	1796	0	0	5640	0	3444	2773	0	0	31112	4076	4974	11042	10720	0	0	0	0	12834	4438	0	6704	8424	48166	52722	41988	5056	0	0	0	2686	30830	0	0	72242	Phytochemical	0.7647059	0.9411765	0.0
28	C21 H16 O10	429.08163	429.082	-0.23315302	429.0815	10047	8436	7836	8553	14341	5367	3118	0	13146	11656	3697	1811	25608	9368	5216	3553	0	20777	22977	5772	8016	17825	5447	4659	3739	4696	2987	2177	0	0	1216	0	2568	1166	18152	0	3509	4262	2802	4975	6458	3851	0	0	0	4807	8517	0	976	0	9445	8011	11516	0	17807	14445	5389	2976	2246	2036	2951	4153	28905	15588	5298	18506	5614	2241	6820	9484	11962	1103	1300	0	0	1351	0	1663	13038	10676	9588	4430	1353	1827	19400	9005	8359	3304	4976	2715	3368	3431	4109	18165	22083	0	7959	7439	9408	15707	16880	4345	1630	2377	3341	3343	11508	0	3965	25828	Phytochemical	0.47619048	0.7619048	0.0
16	C21 H16 O10	429.08163	429.08212	-0.16039172	429.08154	51289	52806	46537	55939	73593	38567	16930	11810	76284	143042	79320	12915	113880	29968	18484	13997	10595	86653	81434	89890	101817	128599	29077	16248	12099	41622	14612	45489	6350	7516	6231	8921	21826	5418	179103	4852	22216	22017	12917	53256	57407	18138	1316	0	275	56699	96288	771	12205	6613	51208	51324	47140	328	73867	59221	32677	18281	13226	16430	11054	52199	111317	67593	28464	83171	36646	9295	60151	62997	82548	6820	3654	4365	8730	6509	616	11066	46634	89125	32676	66490	14465	31697	82263	41190	39506	32549	26620	33118	19543	35600	0	130569	134014	0	45818	48131	65681	79727	75380	17407	10087	11754	50093	14796	55749	429	19158	93719	Phytochemical	0.47619048	0.7619048	0.0
10	C21 H16 O10	429.08163	429.0822	-0.07805466	429.0816	5812	4939	4236	4850	9011	3739	865	2005	8781	18829	14672	0	10872	3243	2952	1616	1528	7654	9532	8358	13488	12986	3748	1839	0	3224	1418	4732	0	1064	0	1101	1656	972	28018	0	1561	2167	3338	4892	13090	2395	0	0	0	6369	13465	0	0	0	7328	5593	5626	0	9542	7516	4338	1238	0	3645	0	7034	15775	8669	4621	9699	3752	1549	10433	10929	13274	0	1355	0	2404	1304	0	2175	5292	8951	5099	5932	0	1998	11503	3148	4406	3942	3332	4620	0	0	2021	14050	13094	0	5824	3895	9523	11860	10988	0	2048	0	0	2728	8708	0	1368	14655	Phytochemical	0.47619048	0.7619048	0.0
18	C21 H16 O10	429.08163	429.08212	-0.13274649	429.08157	62375	55159	38665	46051	81710	36995	15127	15467	73289	128568	62685	9898	118996	40899	16042	19934	8807	91774	97486	87926	87464	96843	26675	14690	16418	46303	12313	37212	6916	4986	9463	8131	17964	10367	169373	5739	19833	24130	10280	51044	60248	25189	2531	0	427	62203	91605	668	12068	8547	49266	48686	51826	676	86722	62749	37048	20708	16782	16053	17060	48370	137246	82414	32134	95319	38827	5657	50844	52578	67649	6672	3997	4460	9558	8051	439	10736	51562	69245	40633	56632	12325	35858	87557	48920	44672	30034	30742	18663	25083	36872	27078	115859	135333	522	54283	47507	72206	79483	76673	15856	9791	19662	54731	16453	58595	481	15474	114385	Phytochemical	0.47619048	0.7619048	0.0
24	C21 H16 O10	429.08163	429.08203	-0.16997328	429.08154	12661	14706	13137	12970	23991	14318	0	1910	27481	31272	9572	3630	49540	13122	7477	3017	3000	40123	30418	12407	20232	32537	10307	5246	5008	5767	3815	5053	1966	1954	2080	0	2883	1503	29589	0	5319	4059	2807	8587	11199	6126	0	0	0	12889	16239	0	2402	0	14514	12060	12733	0	25497	24550	7689	4092	3574	3832	5090	6121	45983	21577	8872	30914	6187	0	10775	10424	14046	1482	941	0	0	0	0	1856	19793	22525	16780	8236	3096	4313	38208	16570	11498	7654	6358	3743	4948	6481	5898	33400	43563	0	13749	10544	16439	31888	29272	3669	1667	4640	8496	4271	24056	0	5798	45280	Phytochemical	0.47619048	0.7619048	0.0
22	C21 H16 O10	429.08163	429.08203	-0.22504115	429.0815	24872	23740	20260	17033	43223	23106	5582	4965	42295	44564	18362	6640	50365	25358	8478	8162	5702	57184	39509	25206	29347	44854	16515	7937	7770	17046	4964	10365	2449	2764	2940	0	4897	2486	57521	0	9340	9782	5360	16610	16235	10756	0	0	660	23862	28981	0	4102	2449	21559	17904	23144	989	46056	33075	18225	8526	6385	5325	4694	17410	70072	38440	17905	44251	14673	4332	18360	24048	27495	2159	0	0	2699	1631	1042	4412	25496	35397	20420	23421	6486	9258	61502	27682	23341	12297	19860	6191	8365	8468	7963	54968	67415	0	21705	20888	30148	52494	42741	9135	5726	8552	20353	9079	34879	0	11190	52761	Phytochemical	0.47619048	0.7619048	0.0
26	C21 H16 O10	429.08163	429.08203	-0.24646166	429.0815	9155	9376	10009	10775	16602	11127	1694	0	23514	21305	4544	3641	38070	9472	0	0	0	28097	17433	7900	12200	21548	5019	0	0	4915	0	3792	0	0	0	0	2674	0	23503	0	3242	3311	2751	8154	8671	0	0	0	0	6054	10609	0	2391	0	9859	10271	14558	0	27189	20533	7556	3113	2924	0	5558	3575	35808	21059	4837	26259	4615	2737	7492	8848	11865	0	0	0	0	0	0	0	13856	12874	12277	5642	0	3604	29146	13860	12785	5587	6255	2911	4107	5742	5479	27696	34202	0	8771	10674	11779	21433	20240	0	0	0	0	2739	11870	0	4406	36264	Phytochemical	0.47619048	0.7619048	0.0
14	C21 H16 O10	429.08163	429.08218	-0.10573243	429.08157	38464	37283	31453	30951	45836	21359	8746	6972	53279	113507	73956	8914	70815	21304	11584	13130	5122	51212	49641	50069	74141	88733	19545	10713	5533	34070	11357	37883	5984	3908	6228	0	10441	6034	150191	2743	7722	16784	8931	35112	51061	15668	0	0	0	36956	78863	0	10186	4645	39772	36635	30887	0	48740	43378	18586	16908	8132	7409	20170	40401	83349	52768	19774	54856	21037	10924	46340	35033	73643	5878	3756	3908	8410	4263	0	9197	35321	71208	27375	41471	4506	19563	52732	24883	22080	20295	19444	16104	11128	17387	16252	97105	91566	0	30867	31222	45640	56325	53702	14058	10133	9187	54559	8388	40037	0	7483	64922	Phytochemical	0.47619048	0.7619048	0.0
12	C21 H16 O10	429.08163	429.0822	-0.07000126	429.0816	16966	20651	17987	18699	23268	7783	3268	2428	24398	54309	32982	5010	26321	6322	4892	4512	2280	23563	23140	25002	35029	47791	10014	4718	2707	14791	2688	10352	0	2166	2135	2597	4151	1975	70200	992	4156	6387	8127	18094	37712	7190	0	0	0	19816	47364	0	4277	4060	16479	13941	12499	0	22228	20024	10089	6123	0	0	0	16916	35736	20188	7297	31271	9198	4464	20841	26068	46194	3038	1409	1209	3001	1263	0	4514	15625	21611	11348	25148	1918	8544	30845	10638	15993	8066	8642	12361	4191	5638	4072	40541	34015	0	13245	14635	29529	28723	26889	5367	4371	4756	19828	5403	21905	0	3559	30356	Phytochemical	0.47619048	0.7619048	0.0
20	C21 H16 O10	429.08163	429.08206	-0.17516305	429.08154	36953	40916	41450	30147	63439	34986	10055	9813	69257	94645	41996	9001	94469	29824	17228	14805	4964	69695	67528	64982	60371	78639	22179	14165	13274	29212	13363	19895	4679	4371	4071	6865	12852	4854	104570	3107	17125	20442	6443	39961	43538	17575	2151	0	593	46288	63097	1015	5714	4022	36684	35685	43564	0	63262	63188	25473	15142	15692	8521	11935	32861	105294	63868	28698	64296	21044	9846	36813	45539	49300	6639	3243	0	7230	6663	822	10115	43127	56208	35000	39405	10025	31481	68289	35307	31061	20029	28456	11804	15690	24709	12155	85565	90085	554	38127	37860	51710	67408	68523	15257	7813	14044	41976	15924	49133	1270	13303	94282	Phytochemical	0.47619048	0.7619048	0.0
24	C12 H20 O11 N4 S1	429.0922	429.09213	-0.25822368	429.0921	2456	2205	1760	3149	3789	3055	0	2039	2285	5097	1831	4588	6468	3374	1391	1420	0	4207	2926	2731	2029	8996	4230	3097	0	0	0	0	2720	1506	2549	2259	5746	0	3573	0	4310	1702	1707	2742	3521	29593	0	0	0	4971	8953	0	2071	0	1641	3587	3375	0	2418	1483	988	2756	0	0	2648	2942	5398	6883	0	4594	3107	0	0	0	0	1678	0	0	0	1153	0	13857	2308	4949	1296	4318	0	2475	2245	0	1408	1057	2677	2370	0	2050	4011	8412	11754	0	2131	2877	1584	1537	3345	5649	5560	1231	3146	1419	1362	0	953	4695	Peptide	0.9166667	1.6666666	0.33333334
18	C20 H16 O9 N2	429.09286	429.09338	-0.11666961	429.0928	23606	20206	21242	22040	24957	8092	4512	4698	18947	48658	24186	3078	24786	8742	8795	4300	5110	28538	45760	21720	37210	53501	10409	10405	8326	11235	5393	12345	0	3576	4190	0	7330	0	45786	0	9916	7236	7642	43212	60956	6228	0	0	0	36658	55595	0	3416	3827	13742	15344	13018	0	28308	9138	13002	6803	4383	9006	10418	27650	34842	29488	6152	19180	9040	10258	17219	25324	41879	1942	2364	1441	6727	0	0	5958	18608	44615	9241	27008	9436	17992	23638	8768	14014	9505	9512	22618	9946	19653	16770	76987	75846	0	21998	12898	16818	23928	17240	10126	4466	8632	22492	9546	16334	0	8579	27086	Phytochemical	0.45	0.8	0.1
12	C20 H16 O9 N2	429.09286	429.09348	0.001088793	429.09286	5263	5030	6605	4065	9430	3794	0	2098	10959	26890	15763	2668	18380	3717	1400	1852	3208	13021	13633	13009	22794	30408	4233	3549	1667	8508	0	0	0	0	1345	2534	2825	0	38413	1518	3309	3100	3246	18245	36697	3777	0	0	0	15050	26047	0	0	0	7223	6898	8463	0	14408	9091	5059	1876	0	0	0	13163	22873	12633	5266	12926	2808	0	17794	16193	32719	0	0	0	1228	0	0	1469	3387	0	5352	15561	1751	8758	15118	3943	8157	5052	3686	12870	0	6598	7005	33851	51522	0	5881	8751	8666	11300	12536	0	1793	0	0	3502	8056	0	1667	19243	Phytochemical	0.45	0.8	0.1
10	C20 H16 O9 N2	429.09286	429.0935	-0.06453024	429.09283	4258	4360	4734	5978	5607	3175	1331	0	7486	17442	9634	1358	9989	0	1145	0	1733	5917	8173	9444	19492	13460	1786	2733	0	3759	0	0	0	0	0	1396	2008	1387	24051	0	1788	1368	2274	8775	17695	2417	0	0	0	5973	19546	0	0	1711	5145	3138	4560	0	8640	9501	0	1391	0	0	0	7076	15872	8433	2610	8020	2228	1328	10460	7948	18775	0	0	1077	0	997	0	0	3290	7222	1760	8150	930	3142	8648	4260	4764	3181	2529	4419	0	2764	2115	20166	12625	0	6630	4594	4325	10970	6843	3004	1540	0	0	2216	6531	0	1226	13859	Phytochemical	0.45	0.8	0.1
20	C20 H16 O9 N2	429.09286	429.09332	-0.13176298	429.0928	8378	12980	10334	14212	14608	7370	2622	0	9564	25980	18484	4714	25932	4348	6134	7628	8470	11270	15244	14238	16968	39616	8602	8232	2858	16742	2434	6942	3366	0	3174	0	8126	0	40700	0	0	5494	5568	31558	42054	5326	958	0	0	13304	51616	0	2992	0	10718	13702	7502	0	13232	11462	4896	9386	0	9534	5526	17462	21190	20958	5950	11324	9756	4282	4702	11750	30244	0	1502	3178	0	0	0	4669	16618	31776	7536	16442	3000	14772	25422	4048	7920	13250	5932	14460	9436	12194	15562	62686	48230	0	11768	12690	7608	14930	14734	3578	0	7556	17100	10048	16936	0	11938	32456	Phytochemical	0.45	0.8	0.1
14	C20 H16 O9 N2	429.09286	429.09344	-0.005813076	429.09286	11507	9125	5436	10925	14323	6187	0	1664	14094	35881	22013	2440	22269	6034	3629	4875	3134	14433	15152	19172	36218	34491	4176	5009	2604	12829	2708	9045	0	0	3435	0	4238	0	39707	0	5027	1655	4911	21738	48621	5872	0	0	0	15318	36535	0	2874	0	9824	11217	8259	0	19789	9477	4010	5183	0	0	0	21503	28775	14992	4372	16380	5689	3718	0	22111	30985	2885	0	1437	3925	1101	0	1702	5899	22161	5357	21743	2676	10720	16807	5132	7851	6869	5448	18742	4855	6794	8521	41054	43427	0	11671	10381	9022	18093	13432	5689	3999	4545	0	2318	7864	0	3060	19267	Phytochemical	0.45	0.8	0.1
12	C18 H20 O12	429.10275	429.10333	-0.11936401	429.1027	71953	81891	73803	60303	97712	63904	26963	39142	146806	84012	70032	35507	168503	31914	43451	31349	34779	139459	135582	69503	105544	140498	69121	44150	14940	4893	19125	21238	33278	25729	30346	29427	59380	24860	107291	25485	48954	49514	32665	39425	75240	57554	980	0	0	47615	105837	0	36401	32057	73663	69943	77473	0	172786	103536	55188	40468	41223	45616	40078	50233	248402	157190	44273	140010	60337	42525	0	13623	30630	28712	31379	23035	34546	27535	0	39898	42852	53870	47304	41621	12268	12129	90451	48376	46771	48238	53033	41904	13211	42977	55528	118005	70782	0	78112	75413	112805	99732	80553	53678	41802	30936	74975	42779	84376	0	17114	242378	Phytochemical	0.6666667	1.1111112	0.0
20	C18 H20 O12	429.10275	429.10336	0.10653876	429.10278	12798	16242	16932	19252	17312	27970	4846	6194	33164	24216	11148	15556	40590	9078	13872	8010	4872	33338	20448	11838	32836	20624	14532	6168	4240	0	3536	0	12326	5594	7738	6754	14810	6792	14896	6962	13244	10500	4654	14616	22112	13622	0	0	0	35358	63964	0	8922	6324	17912	12958	23180	0	36952	12254	9966	8786	11978	7148	9222	34176	39660	31562	8386	18520	14258	10220	13482	0	15820	14380	5126	7504	4064	9538	0	16228	10356	23330	8302	33736	5974	0	22184	8818	6712	8466	16552	5374	9524	26072	9944	25124	17012	0	15684	14522	25382	16894	16718	11382	12786	7876	39182	8234	18806	0	8628	49036	Phytochemical	0.6666667	1.1111112	0.0
6	C18 H20 O12	429.10275	429.10352	0.022648187	429.10275	4009	6088	5222	6259	9562	3835	1382	1785	12423	6197	7720	3692	18604	3510	2059	0	4105	12210	13969	2698	7457	5733	5023	2524	666	0	1494	0	2253	1674	2013	2392	2861	2346	7174	2603	3356	2256	3135	0	5057	4948	0	0	0	2086	2637	0	1764	2829	5734	5241	5596	0	11413	13054	6185	3067	1927	2937	4764	2481	21045	10375	2986	14532	6726	3366	0	0	2386	1855	1257	1520	0	1954	0	2560	5738	0	4395	1357	1181	1004	14641	3123	4878	3992	5560	4218	0	0	3673	6057	4238	0	4076	7364	9116	19914	22564	3481	1272	2486	0	2397	11261	0	1208	19625	Phytochemical	0.6666667	1.1111112	0.0
22	C13 H25 O12 S1 Na1	429.10373	429.1041	-0.3140328	429.10358	5109	8385	10030	8090	6876	4930	0	2069	7887	47767	28073	2339	8151	0	2419	1575	3862	4913	6720	16003	21358	19733	1855	5611	3248	46488	1089	24612	0	1832	0	0	2470	0	28724	1609	1804	2454	2589	34788	17700	2517	0	0	0	17885	35272	0	1775	1377	10447	6967	5162	351	10475	5630	3473	1929	7131	3315	0	16467	4906	6915	0	10938	4896	4729	42463	49701	56758	2327	1567	1535	1845	0	0	0	3948	17598	2510	16714	2856	13959	8760	4836	5351	4286	3875	6704	10746	19551	3204	49288	28907	0	6411	7180	8759	6434	3107	2206	2905	4701	24487	4056	3652	0	1829	11948	Organosulfur	0.9230769	1.9230769	0.0
8	C17 H20 O11 N2	429.11398	429.11465	-0.09882219	429.11395	109127	110541	63199	100502	49990	35612	29315	57424	128822	70296	141130	66100	196514	16835	43802	62147	116112	141138	157902	65046	162351	161885	99369	58206	11809	18296	25609	22711	33884	43413	38061	43073	62862	44024	164170	40480	66243	48234	81948	57363	181638	90701	0	0	0	67163	152208	0	46225	48916	95036	94813	83574	0	193546	102178	52118	43944	67663	109214	57058	95911	145752	166292	52428	130136	67733	149756	28507	33656	45398	46690	52967	35168	73649	43118	0	41283	53227	35064	43257	28793	21749	20145	128297	17427	45521	72589	106576	102016	0	0	104576	137563	109564	0	67667	75871	61317	87336	81785	85569	60982	51255	0	66674	73949	0	26327	165822	Phytochemical	0.64705884	1.1764706	0.11764706
12	C17 H20 O11 N2	429.11398	429.11462	0.026560886	429.11398	92012	73763	96750	94123	72330	51839	39739	66635	92909	134871	108859	59750	90169	28137	46108	62008	71237	94064	123178	121397	124024	141298	83438	68267	24121	88382	33485	48128	40508	48527	56939	66365	71347	46067	158486	45155	67226	60696	59072	92554	134936	57505	712	0	0	77223	133751	0	50193	50874	92205	85204	63146	0	121813	58800	45790	62185	58165	49195	23116	85868	140294	99778	38431	90781	58079	92203	91097	120482	170691	45313	49772	37691	56135	42004	232	55367	70685	41502	64830	78779	28858	48937	80726	50082	62448	60334	60508	97089	36994	45443	86677	98485	83439	0	83117	90133	77868	63066	56943	76194	66728	49933	63671	75135	58385	0	37421	141798	Phytochemical	0.64705884	1.1764706	0.11764706
6	C17 H20 O11 N2	429.11398	429.1147	-0.099825256	429.11395	6102	5203	5058	5288	7831	3051	1899	3741	7296	4302	4989	6003	13310	2169	3105	4869	6598	9042	12269	2676	7084	7745	4628	5445	1220	0	1254	0	2393	3457	4065	4504	5121	3358	5753	2983	4244	2807	6701	4038	6338	7882	0	0	0	4275	5032	0	3775	4405	4865	6802	5538	0	11152	9523	4311	6377	2861	5486	4712	3030	20612	11914	4629	7933	6564	8821	0	0	0	4668	3061	3435	3511	3464	0	3866	3981	0	4045	1821	1532	0	11035	3666	3180	10401	6826	7855	0	1983	9017	5199	5445	0	5871	6392	4741	9809	8881	6104	4321	3734	0	6562	5642	0	1662	21435	Phytochemical	0.64705884	1.1764706	0.11764706
10	C17 H20 O11 N2	429.11398	429.1146	-0.08649488	429.11395	54556	73612	54760	63736	56080	39796	19600	57376	98112	28176	50064	73092	110488	19812	54568	48608	75544	115428	99212	40132	87022	106864	76828	61136	7432	0	28636	0	38760	34532	39348	45040	73028	41016	55476	45620	68372	44364	65128	51876	96260	69448	0	0	0	38656	80264	0	43612	55900	81248	64744	62708	0	123248	73048	44392	54284	40352	71788	41588	59364	162032	134092	47212	99512	63708	86484	0	16361	22336	43952	42764	34744	50708	30132	0	47719	49360	26692	37424	31224	12360	11104	70484	42488	37524	85540	66560	81552	20540	44516	108832	70148	36260	0	73076	86308	48364	68228	65168	88784	58916	47484	0	68876	47352	0	22784	164084	Phytochemical	0.64705884	1.1764706	0.11764706
10	C22 H20 O9	429.118	429.1186	-0.10243478	429.11795	21491	15985	16463	16157	12084	7626	9314	11925	15895	49235	31276	12059	13585	7715	7203	12768	8587	11265	15750	34801	37454	27512	10606	10270	4355	35659	10177	17601	7407	8682	10205	12758	11512	10579	46644	11497	10768	8058	13387	23669	32541	7032	0	0	0	20148	34026	0	11219	11580	21046	19402	8309	0	15703	11323	7411	13793	12545	12868	0	16791	14672	13245	7904	13535	10382	12333	34578	45200	58051	8990	8568	9788	9740	9386	0	9340	16410	11752	14206	21668	9770	12564	16300	7640	13211	5838	7237	16137	7290	10945	9384	20471	26376	0	18914	19159	15023	15018	15155	11592	7206	9689	0	9421	12223	0	9315	14697	Phytochemical	0.4090909	0.90909094	0.0
26	C22 H20 O9	429.118	429.11838	-0.2286077	429.11792	14941	17286	16483	12152	23568	13816	0	0	27188	48128	19096	4546	36973	43700	8722	6695	0	31693	23500	24016	29424	29619	7707	5975	0	33429	2428	9325	0	0	3458	0	3788	0	54193	0	6241	5415	2841	17557	17163	5923	0	0	0	20288	25877	0	4111	0	17313	18263	13620	0	27788	22943	10582	3544	4033	4014	4429	13654	39446	20105	31390	24266	11899	3632	35181	53650	45922	2815	0	0	0	3140	0	3825	16808	15536	15247	13600	3539	11712	34677	14050	12793	5575	7079	5409	7351	9357	7991	28351	47038	0	14903	15868	17948	29602	25335	0	3637	0	10256	4295	19194	0	7146	42926	Phytochemical	0.4090909	0.90909094	0.0
24	C22 H20 O9	429.118	429.1184	-0.22818542	429.11792	29661	28463	23092	21846	45455	23240	4539	7016	42522	78152	37090	6943	70293	27717	12547	7996	5541	44142	40954	53974	62013	45618	16350	9860	8682	56425	3725	24464	5612	3172	5364	3055	7603	4894	94587	4213	10184	9647	7446	35683	30729	10487	0	0	0	37267	41709	0	7000	1929	27120	25891	27557	0	41841	37911	14903	10385	8499	8034	12172	25506	68968	40186	16926	42018	17098	7744	64101	90015	88703	5856	2321	3008	5443	5015	0	6390	30862	32684	26483	27250	7568	25278	55343	21332	19885	10379	12694	8688	12643	15850	14164	49571	73477	0	25914	24020	34537	43436	45187	7194	6101	10599	29508	8037	33849	0	10790	72009	Phytochemical	0.4090909	0.90909094	0.0
18	C22 H20 O9	429.118	429.1185	-0.14080903	429.11795	160870	156604	137579	132470	156143	106981	46973	56473	174656	506304	276880	41356	243873	95215	70945	89648	38392	186321	192261	364990	313759	238167	79493	78981	63819	345045	47722	217827	50335	38645	53156	60808	89216	48034	564691	44122	83772	63122	48005	232486	194543	63582	4583	0	668	214675	206863	1093	57021	41625	138685	157010	118810	919	172743	133725	74997	74177	61161	50138	75977	157755	247243	149677	71288	171388	96904	44109	297258	450445	448958	56105	43376	32968	34520	46526	429	50576	133252	163444	96211	207270	53842	163383	173068	109364	112744	71317	71227	64783	102063	116566	85824	203906	293642	1067	145295	146342	156330	137598	128700	66149	39030	80093	135675	55551	128115	702	62640	210684	Phytochemical	0.4090909	0.90909094	0.0
14	C22 H20 O9	429.118	429.11853	-0.14495392	429.11795	83617	101984	85305	87952	76536	48060	38246	42651	77289	255656	164363	36186	76779	40169	46505	52588	35464	90986	87368	174607	169025	135377	52074	52951	36563	188045	38248	115424	31619	36028	41368	52439	53452	42907	318802	32452	49153	42926	44259	121352	140276	33995	0	0	0	125726	191959	0	42153	40910	89329	87339	53990	0	76689	62100	37691	54391	64871	44763	59421	91934	108195	71648	32414	66561	44758	46343	195202	231121	261501	37565	40599	36184	31095	36760	0	35628	74191	94377	63218	109142	40210	90072	78885	42794	55117	42123	50073	68769	53972	47112	66186	123723	128131	612	92781	79127	76294	73426	70440	46656	35871	60055	138185	41540	58774	0	42887	87371	Phytochemical	0.4090909	0.90909094	0.0
22	C22 H20 O9	429.118	429.11844	-0.18833686	429.11792	71973	61903	55097	72201	79908	71383	15496	18240	92570	179431	93795	12177	95562	362030	27614	20494	14319	92929	79484	131673	111776	99104	33561	25124	23153	131229	36789	67142	11835	8819	13913	15863	23682	9731	197419	13525	34057	23025	14472	78581	60948	38515	4871	0	0	80215	94752	0	17750	15258	56205	66234	57480	1233	85349	88936	43448	22626	17802	16899	24512	59700	128896	62969	882698	85317	63579	15526	108656	181290	186519	14819	10015	4959	7637	13630	970	15035	56959	61906	51188	71631	19919	66066	95003	51740	50564	26752	39862	21747	37701	42204	34955	92994	116556	0	63196	67613	109631	76305	71103	23388	16953	21308	61966	20700	67641	0	19808	112283	Phytochemical	0.4090909	0.90909094	0.0
20	C22 H20 O9	429.118	429.11844	-0.18717241	429.11792	115077	124025	112784	110565	133433	96819	33824	40072	150121	378576	181974	35728	203829	139077	58882	51245	27878	161364	175718	255416	252283	181808	57665	51582	45939	259538	44068	145249	40138	26845	36020	34916	52364	30472	440115	26116	65121	45815	25948	164849	147118	55959	6394	1084	735	182136	168404	1390	40711	32441	110876	121495	87596	785	158890	128445	66935	55726	46775	28088	51660	119950	212028	132506	172485	153448	73985	25845	231531	338926	329704	29569	30319	20900	22670	30534	846	34126	94196	126392	64211	124581	37312	147984	154579	82915	87498	59286	63638	41729	73499	93572	67540	167806	208759	1416	113327	114509	138033	136089	133309	48362	33822	54075	127740	47945	114707	699	43609	200187	Phytochemical	0.4090909	0.90909094	0.0
16	C22 H20 O9	429.118	429.11853	-0.14244632	429.11795	136557	149224	121530	131204	128049	81124	48662	55670	142016	406545	235986	43409	148376	74035	61717	67935	49166	148203	158458	297198	290109	205259	75004	79350	50070	308479	45899	158564	46433	44835	59631	57393	69347	47524	502792	46357	66764	52089	52271	191740	159916	48064	3058	409	417	178918	207059	758	62685	49337	125370	132002	85264	575	123211	103666	61754	65906	64923	48902	68485	133382	184840	108948	53387	144147	74980	49791	270406	377642	397722	51106	47311	38963	41609	50647	389	47741	98494	149541	76652	168575	60022	148688	147116	69536	89553	56336	65966	92396	90409	106195	106569	178699	247023	950	128274	119728	130735	113474	116379	62022	41028	69144	131175	63102	106150	702	60414	169917	Phytochemical	0.4090909	0.90909094	0.0
12	C21 H20 O8 N2	429.12924	429.12985	-0.05624464	429.1292	26282	28338	26344	27750	28598	16836	15428	16662	29409	85168	50398	10220	34444	16836	15129	17867	23210	28316	32405	72167	90532	69457	14927	17569	11249	59395	13219	37521	13183	9898	14300	13609	26880	13173	121801	11959	21466	14847	18892	77137	106253	12764	271	0	0	63087	87787	0	19759	15008	33565	35275	22250	0	34142	28819	14055	20827	15266	23677	24332	58320	45363	29286	11469	36030	19020	24752	65199	94682	127475	13968	12104	9940	11793	13494	0	13154	26114	61930	19725	41758	15706	44366	29581	14452	26404	13642	18693	46223	31295	32486	37852	72115	59873	0	28390	31623	25492	26569	24391	21605	12302	19272	89369	20996	19372	0	17488	36788	Phytochemical	0.3809524	0.95238096	0.0952381
20	C21 H20 O8 N2	429.12924	429.1297	-0.14648491	429.12918	19408	13442	12406	11623	17796	9235	9748	9592	11839	25657	25173	4995	18202	7304	8063	10510	3197	12812	10827	23236	33971	36899	9660	10234	9297	22558	7907	19050	7292	3093	7818	0	11660	9146	41597	3110	16193	8086	8374	36897	36736	9365	736	0	0	21786	35015	0	7023	6619	12721	12938	7925	0	13223	12841	8423	14168	10741	13091	11377	24007	16609	15339	4197	13307	10221	11329	24471	36700	43535	13843	9928	3866	8990	4748	0	7337	14547	30450	8592	16021	7637	16052	14775	7709	11620	17037	10219	19303	12989	16334	24250	33079	42859	0	13268	12441	12602	11138	10787	10327	4942	16674	17307	10142	9879	0	12074	21681	Phytochemical	0.3809524	0.95238096	0.0952381
22	C21 H20 O8 N2	429.12924	429.1297	-0.1900201	429.12915	7847	6148	8531	7249	7178	5778	3467	1992	3922	14682	10166	2818	5279	0	2920	3789	4043	5537	6765	5026	12888	14559	4725	3023	4767	5985	2182	7271	2580	2954	2574	0	5997	0	15474	1956	3361	2002	4123	11442	17811	2247	0	0	0	9978	13749	0	2843	0	6735	4889	4199	0	7281	2448	3582	5463	2248	3270	4742	11750	7305	4662	2372	6544	4407	5224	5619	7335	8567	0	0	0	1781	1106	274	2666	7925	14771	4648	8801	4477	6032	3583	3933	7211	5407	5000	7986	4879	9767	4595	19804	22976	0	5204	4302	5874	4085	5309	5858	2679	3500	6847	4692	2219	0	5828	7711	Phytochemical	0.3809524	0.95238096	0.0952381
6	C21 H20 O8 N2	429.12924	429.12994	-0.08931675	429.1292	7321	6571	7665	5065	6187	3447	1844	3896	7320	20282	12237	2151	8294	2790	3192	3583	3205	4906	8026	14775	22823	12103	3321	3533	1603	9059	1618	5906	2494	2144	2416	3339	4071	2368	25076	2963	3482	1528	2866	11039	18528	2506	0	0	0	11428	15888	0	2478	1727	6015	5061	4747	0	10539	6601	2279	2782	2269	4668	3579	7588	10483	4768	1453	7302	3218	4810	15581	16027	26782	1717	1253	801	0	2007	0	1816	4849	5389	3029	7364	2939	6571	7555	3357	4459	2735	3111	6778	0	4338	6419	14615	13157	0	5757	6246	4715	7456	5737	3185	1623	3674	0	5066	5390	0	3339	10457	Phytochemical	0.3809524	0.95238096	0.0952381
6	C19 H24 O11	429.13913	429.14005	0.28015625	429.13925	16420	14126	6705	9185	4525	3546	4901	6865	12702	8398	5083	12282	6387	2782	5251	9695	13706	7688	17844	7691	9545	8930	14552	8499	0	0	5089	2694	6469	13184	14734	7569	16798	5712	17628	13210	0	5049	11406	5317	8728	4240	0	0	0	5954	7166	0	7246	15332	8118	14712	7544	0	12990	8344	6400	8411	5893	7916	7120	3756	19612	6254	5778	5796	9672	8665	4318	4433	0	6404	7048	15606	0	16192	0	4875	16510	0	10282	4777	3864	3870	8428	4527	6194	8836	8874	9936	4966	4925	0	5143	0	0	16410	7977	4422	7552	18852	20894	5650	7695	0	8256	11306	0	4113	17114	Phytochemical	0.57894737	1.2631578	0.0
22	C19 H24 O11	429.13913	429.1397	0.05749902	429.13916	9927	9781	8682	8897	7166	6467	5358	14278	10639	17214	8164	7297	11389	6077	13946	5156	4868	16418	6655	18178	15379	10784	11527	7655	7523	0	3486	4684	10603	9768	10008	9388	12236	11430	20141	13681	11687	8273	4896	14606	0	5408	0	0	0	18825	17617	0	12028	13438	10743	6316	9813	0	15585	7260	2712	8584	8116	4771	7465	9120	13072	14074	4107	10284	7144	6820	5743	0	8581	12865	12059	11679	5145	11364	343	9759	7770	7912	5218	13210	7307	6110	8994	6544	9231	2689	6586	5505	9109	12215	16397	6161	11303	0	9681	7083	7847	4187	7496	7704	7558	10781	13900	11882	6902	0	8057	17887	Phytochemical	0.57894737	1.2631578	0.0
20	C19 H24 O11	429.13913	429.13962	-0.13348684	429.13907	41080	44054	40377	29970	34424	37388	17718	44554	48986	91332	46884	19290	48814	14932	39490	27603	15458	65611	44029	69208	89013	56881	38078	36499	26116	118003	12748	33744	42599	31750	34846	34269	46042	34888	86796	43822	44324	30979	15403	93213	54563	25623	1477	0	280	70171	64984	512	39119	33159	44748	42878	25496	504	77405	29154	19097	29142	37501	25869	31904	67190	53156	53527	16816	37976	27264	15473	67686	74035	99164	37923	41520	42760	14890	32796	502	37491	33462	38192	25821	31228	25789	41904	29168	23886	28502	17720	20224	11964	31483	46775	38302	45864	51002	0	44580	40318	30281	17874	21622	28408	26410	32988	38319	25832	31580	0	20805	71687	Phytochemical	0.57894737	1.2631578	0.0
14	C19 H24 O11	429.13913	429.1397	-0.13642678	429.13907	230346	214312	221461	227812	161646	172034	126056	216047	545466	437752	225997	125326	615502	84612	445856	162312	121049	327782	278928	406808	739376	377620	411634	211628	126158	71783	100841	162409	205348	178385	372526	225132	242414	169943	613833	200420	447286	162935	113690	551696	171465	144397	4705	424	289	229171	178102	0	173898	381116	224927	215082	160714	660	831818	152714	212148	194768	305277	110878	240244	481850	317448	591740	97746	216916	173932	105710	121228	174178	142203	383112	368926	211455	110877	175426	0	346668	157916	119107	150392	164427	124427	118652	155120	128402	129179	113212	163728	125126	144441	202062	435602	205041	220490	1530	218631	239972	157901	125525	121253	198425	142285	244484	207386	329504	141865	617	107183	581420	Phytochemical	0.57894737	1.2631578	0.0
16	C19 H24 O11	429.13913	429.13965	-0.14339446	429.13907	206013	196341	203896	199012	168733	158845	101012	194663	273208	384037	142255	98035	342643	92039	200001	136833	71349	358868	329789	369724	305789	290008	193878	183519	113523	68076	77806	97541	173348	155418	186207	201454	216498	145154	506014	156754	213699	146246	73048	229061	119875	113221	3986	764	509	220718	146752	653	175903	163569	186835	196010	162293	531	452768	149905	96512	164730	248200	74245	175781	195625	319854	268978	76227	219866	158875	70129	97780	170272	118411	198520	179547	183121	85294	158475	437	140759	140261	116020	114848	155732	108906	110523	145435	111311	103653	85366	130848	82143	134910	208965	260342	147519	192475	1715	199968	219511	143571	95430	89962	190610	115001	163935	134058	174185	125967	640	94144	341720	Phytochemical	0.57894737	1.2631578	0.0
14	C18 H24 O10 N2	429.15036	429.1509	-0.11156502	429.15033	35838	34637	36116	39524	19910	27832	25889	54146	36693	32493	16529	30740	38952	8555	45848	38479	26087	45665	42027	31091	41255	64571	45660	48408	36631	11242	21356	8846	44036	39351	40041	39426	63417	35077	43101	43417	52527	35441	23782	33362	22470	31739	0	0	0	35193	25564	0	40547	47413	38135	35346	22924	0	55494	15812	18638	41156	69967	19811	62549	37255	39147	38496	19491	32057	31229	25994	0	9138	11102	36694	39125	48977	26408	36222	0	40105	25819	0	25798	24475	21657	14630	19092	18844	26231	29316	33113	32259	29285	61825	69300	19367	27708	0	33728	41104	14980	14412	14993	59815	33808	48849	23248	54441	16340	0	22742	44847	Lipid	0.5555556	1.3333334	0.11111111
6	C18 H24 O10 N2	429.15036	429.15097	-0.2257657	429.15027	94518	87186	74205	96336	49140	35313	39065	86748	66003	97860	127452	61114	93687	16149	54588	97905	87663	93031	106296	53874	85689	101598	63926	99403	25953	4405	33924	12666	74373	75291	77709	81127	107364	77501	88308	67884	93756	50475	118566	67791	81870	55580	0	0	0	69303	101154	0	83295	67035	88722	89661	62553	0	81771	46011	37944	77820	376254	87858	85998	154077	116472	78336	47583	79905	63744	124338	17442	10650	13707	82185	70651	64386	39237	69816	0	51286	54680	17460	41169	33045	33853	15051	62232	39438	45993	64578	69321	149600	27375	70872	143107	79996	65223	0	96321	78585	35082	48831	55056	98805	50337	98934	1381485	89721	43470	0	41537	125094	Lipid	0.5555556	1.3333334	0.11111111
12	C23 H24 O8	429.1544	429.15494	-0.19721028	429.1543	68888	68768	60549	65402	32444	26061	55659	66882	36533	93862	80485	41763	24924	20059	38704	70222	50464	33731	43541	108401	86078	72495	37143	62911	30870	192618	45747	61816	45452	58800	46775	54549	51992	40595	97037	46735	44294	45609	63596	70765	107253	22187	2226	370	498	74461	97523	537	60468	62507	69571	68161	29741	303	43405	28737	29908	67131	52288	71488	88109	47100	44107	30518	19229	37709	26417	67471	116599	233678	297732	43258	47554	53075	50599	60353	417	38128	58897	39560	53369	50423	46541	52693	39820	25040	54872	24212	31712	85337	49744	50672	54101	49759	60574	1159	75282	71768	47587	35033	27591	56680	33100	67541	62518	43318	31126	0	43421	35554	Phytochemical	0.3478261	1.0434783	0.0
18	C23 H24 O8	429.1544	429.15488	-0.1450925	429.15433	365418	369814	326551	309693	293200	203201	151572	250540	288233	788622	509077	147126	367041	206167	217972	257355	149925	331107	360144	745112	717620	369025	220500	257724	184823	943700	142194	429093	210777	200880	224056	222623	236277	214146	844691	199390	241033	173883	182874	534968	424727	152310	9500	1265	1252	383756	331906	1224	232929	200632	332000	348459	219274	1564	329590	247666	164168	248451	195069	163825	233723	333550	395465	253610	139176	313302	213054	188977	778534	1172649	1259237	213583	184530	188309	155996	240287	1255	162924	314828	236813	246330	309744	188792	347359	318789	193792	259092	168498	189193	218640	265967	289740	310434	267749	388120	3364	330306	316899	296853	267225	261538	213644	151760	255024	228864	191660	222828	1569	187013	339714	Phytochemical	0.3478261	1.0434783	0.0
24	C20 H28 O8 S1	429.15778	429.1583	0.0563966	429.15778	20730	25368	20912	12412	5435	5010	12258	35660	5232	8593	3483	7974	6176	3506	11640	19293	26397	22204	9333	14579	22430	9587	15986	12778	12791	6261	15217	3767	40450	21287	17478	15860	13226	6710	10874	18634	16311	7226	21115	7222	6943	4848	0	0	0	8784	9383	0	12897	19865	10316	22614	7300	0	14374	3931	9632	16219	16264	7574	19790	6452	2882	11962	3999	15488	15848	20237	6880	31620	13920	10707	8383	14967	44683	12636	0	7644	11908	5915	5979	6635	7513	7489	6868	4987	8169	3865	7417	16375	18801	17045	19385	6034	18094	0	11248	14829	4042	3865	3730	18178	7212	12397	8154	11339	4228	0	16312	13636	Organosulfur	0.4	1.4	0.0
6	C22 H24 O7 N2	429.16562	429.16626	-0.2086028	429.16553	14142	15471	12631	11218	7868	6939	7608	13615	8472	38098	18927	8074	11738	3787	7034	14404	9835	9306	12082	28788	42615	21569	10560	16645	5505	23317	5332	16647	9211	6449	9571	10981	14088	8430	37417	8314	10801	7070	12792	23470	27754	5419	0	0	0	18644	27849	0	11283	9602	13855	12979	7329	0	10545	6831	4577	9283	3929	10475	8771	17050	10879	7319	3193	9109	6954	17327	22556	35918	46243	9994	8780	7725	6347	8254	0	6024	8945	15345	6365	9427	5978	15122	7018	3733	10788	7069	8053	17266	12398	11564	16676	19357	31099	0	12703	12204	6727	9172	6612	10445	5555	13781	10304	9955	4422	0	8953	9577	Phytochemical	0.3181818	1.0909091	0.09090909
10	C22 H24 O7 N2	429.16562	429.1662	-0.19907115	429.16553	34736	33597	36967	32923	19373	16645	22202	24521	21153	93033	61478	16911	46950	18495	18997	27432	24163	21819	30418	99347	102251	63991	23014	37684	20635	81187	18445	51481	46486	20953	21199	24124	30147	25153	100502	25507	35115	14980	31095	77018	74899	31216	566	0	0	53113	58912	0	29282	24548	34584	40324	18385	0	25725	14185	12173	36354	13409	25897	32594	41818	20916	19566	21670	22355	15371	36636	76688	215138	104923	29665	22802	17517	18342	21836	0	17693	27731	40101	19824	25159	18391	51925	18027	13249	27472	17035	12989	44682	46380	38635	47579	51458	72520	0	41980	37878	17262	17595	15741	29174	15655	69750	22717	23796	27638	0	22440	51768	Phytochemical	0.3181818	1.0909091	0.09090909
10	C20 H28 O10	429.17554	429.17606	-0.19317238	429.17545	127561	132219	66190	118789	27976	28822	110066	171094	61903	133916	40490	103658	81877	18209	130382	92336	125116	43668	82311	153008	124044	115036	118807	163807	108926	25950	59503	30544	145791	146402	79821	174797	164764	117342	139577	161129	79034	61302	83116	41417	90359	36272	1126	0	0	122301	56286	0	155597	81915	119855	111391	30568	0	103640	64820	55530	176321	173578	50354	80626	31393	68441	42340	39896	33564	36633	117393	30718	45116	46594	157387	134020	168685	118921	148810	0	104280	125730	25908	108668	82441	113429	29516	36516	64768	117372	50970	74206	138038	43496	67648	158935	37357	52938	0	59501	143430	25874	35772	38095	159265	84432	95604	0	55923	55142	0	96180	41010	Lipid	0.5	1.4	0.0
14	C19 H28 O9 N2	429.18677	429.18726	-0.17196698	429.18668	49050	46232	39820	56118	20344	32982	41060	60906	28134	34664	17230	31284	46536	16282	72162	48558	29174	52586	59612	52890	44632	58588	65020	73780	79610	8840	33172	0	76208	64078	66442	69222	87896	56866	61108	78186	90692	52996	42800	55439	15126	41920	0	0	0	55254	15250	0	70314	57722	46024	50034	32570	0	63534	17338	22520	86264	91972	24618	77536	26248	37342	37634	15654	39700	40586	32340	0	31394	8577	67768	56192	67130	28026	59732	0	52068	42938	16221	29240	29802	46526	20026	23046	25878	43350	36810	36970	35776	123635	100412	134599	22877	44742	0	42462	61288	12170	11732	14248	69434	39902	84524	0	67152	20024	0	42062	51638	Lipid	0.47368422	1.4736842	0.10526316
12	C19 H28 O9 N2	429.18677	429.18726	-0.20809601	429.18668	24392	25640	29954	27754	11245	16245	24161	44606	18663	30434	13634	19067	16958	5675	42709	29081	20531	28204	31877	29321	27776	50109	31497	43478	32469	2428	20252	0	39713	28490	38981	32790	43475	34318	36122	34467	43721	32058	24519	33187	13935	18147	0	0	0	22690	19832	0	32823	29446	30622	26292	16185	0	34475	9671	10272	36690	51338	9590	36396	15752	20808	19397	9665	22241	17588	21953	0	6159	5666	39394	30457	34001	15828	26308	0	29396	19113	0	19014	17659	31470	12814	10090	14328	25780	13338	19325	38695	49262	60322	72222	10287	13643	0	29065	32208	9902	5433	7229	37011	21936	39808	0	37380	14271	0	25540	29413	Lipid	0.47368422	1.4736842	0.10526316
12	C24 H28 O7	429.19077	429.19128	-0.25657967	429.19067	47973	45725	44483	50033	17597	11708	46120	50001	17551	32556	31384	27893	13734	9977	29214	47768	49937	12368	24472	55117	39409	39433	31282	60995	28592	45695	51090	28382	28648	42064	34307	43218	32254	30344	37441	37510	28671	31002	50940	34570	46601	15913	1058	448	658	34469	63125	837	42679	46090	41215	39577	17017	508	26276	19249	16056	43782	27177	48186	50143	23920	20247	18979	10768	17620	20057	56404	27838	50525	52566	27851	29072	41726	48793	45999	456	24309	37189	16852	43944	30437	30756	25400	26789	17275	42068	14041	18903	64983	29542	41266	41239	31415	41478	1343	49011	48886	24590	21049	23327	44654	26157	47952	30937	36424	17969	701	34983	16876	Phytochemical	0.29166666	1.1666666	0.0
6	C18 H28 O8 N4	429.198	429.19858	-0.20329517	429.1979	5050	5460	5730	5572	2170	0	3654	5125	2811	0	1623	3526	3504	2121	7641	6628	3655	3594	4432	1335	0	7042	4874	8157	4303	0	3305	3869	8604	4328	4503	5736	7645	4299	2890	5536	8482	4676	4548	0	0	2223	0	0	0	0	0	0	7787	4670	5603	7703	1968	0	5933	1317	2286	9819	2506	978	8445	0	3477	3204	1239	3421	3008	4879	0	0	0	5515	5747	3470	2872	4066	0	3243	4763	6259	2717	1024	2016	0	2632	2355	5947	3492	2713	10358	30540	15006	16225	2281	0	0	3758	6045	1261	1337	1710	6512	4676	2423	0	8733	1854	0	4414	3326	Peptide	0.44444445	1.5555556	0.22222222
2	C18 H28 O8 N4	429.198	429.1987	-0.21567623	429.1979	7634	5734	4387	4348	3053	0	2430	4967	3161	1215	2919	3896	3782	1368	4947	700	5565	4405	4075	1086	0	4448	5782	5156	2719	0	0	8314	6264	1645	7273	4926	7995	6393	2581	5327	5760	3613	6681	879	587	0	0	0	0	1199	858	0	4475	2914	5242	5136	3158	0	5218	1070	1732	6898	2042	1365	1417	0	4100	2981	0	5470	3886	8272	0	0	0	5022	4888	3718	0	4093	0	3565	3769	28056	3727	0	846	0	2403	1879	4326	4681	4697	11657	30047	13500	11767	4886	0	0	5509	4302	1457	1471	2188	4165	4366	1841	881	6859	2731	0	3703	5243	Peptide	0.44444445	1.5555556	0.22222222
8	C18 H28 O8 N4	429.198	429.1985	-0.13900003	429.19794	2605	3264	2522	3667	1118	1859	3386	5555	2001	0	2232	2738	2360	0	3883	4763	3095	2299	2593	0	0	4875	3581	7039	4250	0	2641	3449	4805	3145	3119	3667	4980	4489	0	3960	4965	3825	4484	0	0	1835	0	0	0	0	0	0	4280	3310	2915	4145	847	0	2717	0	1720	4841	2105	0	6193	0	1829	1217	0	2677	1818	3393	0	0	0	4506	3331	2229	1547	3330	0	2945	4161	7938	2131	0	910	0	0	0	4421	2034	2199	8009	25383	13130	11821	0	4160	0	3071	5002	2180	952	0	5680	2913	2645	0	4230	0	0	3434	2280	Peptide	0.44444445	1.5555556	0.22222222
8	C23 H28 O6 N2	429.20203	429.2026	-0.2666662	429.2019	15759	14761	10295	11809	7081	6159	5491	14819	4808	27460	12809	7496	4889	4446	7991	14352	11215	4573	8170	35896	32575	16714	9652	18477	10324	19977	7731	13422	12187	10643	10436	15683	13195	9417	28046	10513	16192	6383	12606	25279	18728	8424	0	0	0	15052	14511	0	17083	13337	15745	16206	5836	0	6887	2679	3462	14997	1061	3259	15166	9706	4539	5599	3613	6607	7605	14810	16731	34688	29338	9887	10512	9123	10951	9608	0	6902	15037	14436	7145	3743	4549	18701	3037	0	12140	6972	8881	18287	13532	15830	29126	15020	27783	0	14461	15653	3719	2544	4484	15689	7452	17612	9355	15271	3451	0	8674	3740	Phytochemical	0.26086956	1.2173913	0.08695652
18	C23 H28 O6 N2	429.20203	429.20248	-0.21410811	429.20193	28437	31577	22965	22983	10283	14232	19941	25044	13890	28132	28052	15895	10352	12983	15708	26986	24922	10944	22986	46092	48443	37481	24037	32431	21002	24758	19724	35026	28559	27796	22076	29075	38906	23818	42410	23251	36774	17451	29497	35092	39012	13250	0	0	0	26572	27992	0	29249	19674	27436	23891	18890	0	12430	10035	11078	34915	18208	22566	26279	26754	10637	6831	9286	15186	14362	27913	29763	37061	45691	28970	25007	21243	19383	23178	0	18742	24476	29961	18151	19211	21591	33819	10812	11290	24860	22211	21430	41075	46121	46474	53388	25157	38928	0	22846	26080	8955	11897	14892	27110	13941	31798	17468	34021	9662	0	24582	13972	Phytochemical	0.26086956	1.2173913	0.08695652
14	C21 H32 O9	429.2119	429.21237	-0.27422044	429.2118	17834	22145	22792	18691	7605	10912	32118	35094	8732	11030	11069	19397	13089	7167	25764	31337	22657	11687	15896	15931	14286	15667	18196	29102	24202	0	23504	9664	37100	39324	27297	50530	36678	28772	15326	35442	34900	20377	30782	7413	5008	15261	0	0	0	16156	11382	0	44535	35583	27149	20710	12125	0	20926	11802	9920	37827	16965	11386	35923	6313	8507	14406	11971	13003	16623	24280	0	13179	14027	29276	31983	42171	30447	29118	0	25121	20075	0	16994	10833	17289	10694	16453	12048	28065	10032	17066	26783	27138	26158	25863	4505	13911	0	17473	19542	8551	11885	19875	45111	19562	22529	0	18885	10295	0	19241	12011	Lipid	0.42857143	1.5238096	0.0
8	C18 H36 O11	429.23303	429.23367	0.002743201	429.23303	16590	14033	12381	12229	5849	5068	0	1560	10856	3010	10576	0	1336	10058	1403	1826	0	1308	0	0	0	1449	1454	4429	1426	0	930	69034	0	708	1528	1291	1076	942	2076	1441	0	793	883	0	0	12018	0	0	0	0	0	0	1363	829	12109	13786	3678	0	6872	0	15464	0	0	0	0	1010	0	9249	13640	2568	8405	1303	0	0	0	1509	1202	1338	0	810	0	614	1354	147351	0	0	0	0	2201	0	2029	1305	1404	5906	1313924	646638	4669	41790	9090	0	13517	11628	2062	0	0	0	0	0	0	1592	2063	0	1235	0	Unclassified	0.6111111	2.0	0.0
4	C19 H32 O7 N4	429.23438	429.23517	-0.020216022	429.23438	9747	11486	8579	8530	1130	14169	416	1752	367	0	7976	401	2505	648	1508	1957	0	1495	1170	0	0	1795	980	1454	2482	0	689	55736	2352	594	832	0	1663	1083	0	956	1901	1024	1229	0	0	906	0	0	0	0	0	0	0	592	9184	8132	1220	0	871	0	379	1990	0	0	1567	0	808	390	0	1628	420	0	0	0	0	1236	1752	1100	0	694	0	650	870	448519	567	0	0	0	0	351	1151	1470	1445	1438	931099	404111	5393	37957	7368	0	10211	10317	798	304	318	1085	743	0	0	1670	392	0	1008	1850	Peptide	0.36842105	1.6842105	0.21052632
10	C19 H32 O7 N4	429.23438	429.23495	-0.10306259	429.23434	2596	0	0	3872	0	1161	1380	0	0	0	2281	0	1820	0	0	1468	1971	0	0	0	0	2166	0	2192	1071	0	6071	19405	0	0	0	1360	1398	0	0	1450	0	791	1800	0	3375	844	600	0	0	0	3754	0	0	0	2177	2367	855	0	0	0	953	1700	0	4864	9106	0	10786	0	0	1400	0	2244	0	2925	0	0	0	0	0	1297	0	0	2143	31093	865	3235	0	0	0	0	1706	0	818	9546	187604	71284	2785	5692	1972	0	0	3247	0	0	0	0	0	0	0	1332	0	0	0	2665	Peptide	0.36842105	1.6842105	0.21052632
2	C19 H32 O7 N4	429.23438	429.2351	-0.09401583	429.23434	2129	1800	2235	1894	895	0	1708	2003	987	652	1455	1105	1283	779	1692	945	1544	1238	1264	0	0	1459	1623	1906	1462	0	0	34547	1949	1762	2104	1965	3213	2232	1019	2238	1988	1430	1614	0	0	0	0	0	0	0	0	0	2247	1176	0	1654	759	0	1754	0	429	3261	0	0	543	0	853	1026	0	1743	829	2483	0	0	0	1552	1527	0	0	1021	0	1002	1430	271786	690	0	373	0	463	833	2403	667	959	4188	67300	24937	4580	17931	424	0	1689	2366	0	1103	653	1667	1086	413	0	2870	835	0	952	2070	Peptide	0.36842105	1.6842105	0.21052632
6	C19 H32 O7 N4	429.23438	429.23486	-0.16531795	429.2343	22447	23114	21419	20076	1244	13763	1427	3674	1389	6753	15822	1140	2085	2151	1688	3320	1479	1431	2025	1455	0	4695	1142	3193	2895	0	944	111682	4755	1704	3502	3687	5926	2702	2052	4255	5222	2367	1428	1217	0	2146	0	0	0	1965	0	0	5225	2115	24210	21300	1220	0	1217	0	1504	3034	0	0	3236	0	963	0	811	0	2313	0	0	0	0	4894	2610	3192	855	1620	0	2025	913	378775	568	444	300	0	0	0	1097	1462	1592	1672	1936068	854473	5078	64907	17147	0	23903	18734	0	0	0	2804	1793	3550	0	3316	0	0	1767	1443	Peptide	0.36842105	1.6842105	0.21052632
26	C22 H36 O8	429.2483	429.24863	-0.09022329	429.24826	4648	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3109	0	0	0	0	0	27585	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4423	0	0	0	0	0	0	0	0	0	0	0	2552	0	0	3478	0	0	0	0	0	0	0	0	0	0	0	2633	0	199249	0	0	6371	0	0	0	0	0	0	0	23683	22567	0	21021	12415	0	0	0	0	0	0	0	0	0	9962	0	0	0	0	2519	Lipid	0.36363637	1.6363636	0.0
18	C22 H36 O8	429.2483	429.24857	-0.39036027	429.24814	4678	2077	2833	2751	1419	0	12270	3311	0	0	1742	2777	0	1993	2640	4930	4205	0	3285	0	0	0	1581	1861	4120	0	9780	2848	5751	5214	3244	6470	3761	0	0	5833	4628	1485	4798	0	0	0	315	0	0	0	1300	0	12064	2813	3870	1932	1490	0	0	0	2695	5222	0	0	3858	0	3487	0	3106	2447	2251	5930	1403	0	0	2523	3791	7800	3025	0	0	1926	0	1776	0	0	22672	12748	2225	1731	2521	1607	2630	3998	2779	2473	2574	0	1557	0	2755	0	0	2208	2441	7091	1441	0	1614	2886	0	0	2998	1753	Lipid	0.36363637	1.6363636	0.0
14	C21 H36 O7 N2	429.25952	429.26	-0.14192007	429.25946	9374	8886	6152	3930	0	0	0	24020	0	0	0	2360	0	0	23086	0	0	2890	4344	7768	0	0	15286	22746	51968	0	0	0	14612	10276	21992	0	13308	7310	3694	10672	7260	4522	0	0	0	5640	0	0	0	4458	0	0	10876	13592	3410	4610	0	0	0	0	0	14654	14588	0	0	0	0	0	0	0	6408	0	0	0	0	18718	7108	8220	0	7792	0	30674	0	0	0	0	0	0	0	0	0	0	4034	0	12113	0	13356	0	0	0	0	4296	0	0	0	12382	12292	7738	0	7226	0	0	0	0	Lipid	0.33333334	1.7142857	0.0952381
18	C26 H36 O5	429.26355	429.26398	-0.25794774	429.26343	19801	24172	18994	20214	11222	7822	31613	15151	13703	7552	11381	14073	10770	10117	16859	32462	54326	8181	15160	14406	6909	12466	15408	16620	18589	11686	31370	14386	14303	19097	15981	24078	17324	7877	9395	23351	18617	25265	58400	6899	11863	13398	2738	0	0	7084	14041	0	17359	23057	18013	22472	11278	0	15585	22262	13779	23380	9275	20768	18234	2928	10829	13793	16649	9945	13136	65638	9463	9495	12924	10707	11748	20823	53589	28297	0	13051	31798	10211	24646	10952	15660	5556	20879	16926	40931	8757	15280	50000	14716	16740	17968	7348	9306	0	17346	20773	11742	30386	31651	24845	13907	13211	9581	16809	18216	0	24338	6803	Lipid	0.1923077	1.3846154	0.0
14	C19 H40 O10	429.2694	429.27032	0.04657043	429.26944	570402	464017	553683	490784	0	0	0	2882	0	2356569	5239074	0	1566	0	0	0	0	0	0	0	4849	0	0	0	0	0	0	0	0	47458	0	0	0	1266	41201	1493	0	0	0	965118	459187	0	3131	0	260	472231	807394	0	1616	0	561515	528252	0	699	11156	0	0	0	8280773	8719	0	1608178	0	0	0	3123	958	0	0	0	4293	82329	0	0	12136	0	0	0	0	0	0	0	0	71458	0	3113	0	1288	0	0	5713	7578	0	329237	25317	0	583195	275862	0	0	0	0	0	228329	24879503	0	994	0	0	0	Lipid	0.5263158	2.1052632	0.0
4	C20 H36 O6 N4	429.27075	429.27142	-0.20789614	429.27066	1202	1518	2005	1956	543	3252	0	0	0	0	0	0	0	0	0	773	0	267	0	0	0	0	0	0	304	0	0	11344	0	0	0	0	513	0	0	0	552	0	0	0	0	0	0	0	0	0	0	0	0	0	1975	1271	0	0	281	0	0	0	0	0	0	0	402	0	0	438	0	0	0	0	0	0	0	0	0	0	0	0	477	160656	0	0	0	0	0	0	0	0	0	0	156316	40615	519	8603	0	0	1593	1513	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.8	0.2
10	C20 H36 O6 N4	429.27075	429.2712	-0.1407711	429.2707	3701	3230	3183	2867	0	2474	0	1091	0	0	0	0	0	0	0	0	0	0	0	0	0	0	984	1805	0	0	0	38686	0	0	0	1231	1359	934	0	978	0	0	0	0	3655	0	2553	0	0	0	0	0	1166	0	2893	3140	0	0	0	0	0	0	0	4815	0	0	0	0	0	0	0	1502	0	0	0	0	0	0	0	0	0	0	0	240534	0	0	0	0	0	0	0	0	0	0	279213	72514	0	19709	3118	0	2309	3883	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.8	0.2
6	C20 H36 O6 N4	429.27075	429.27127	-0.33837175	429.27063	4845	3166	5734	3962	0	4647	0	0	0	0	1775	0	0	0	0	926	0	0	0	0	0	0	0	0	495	0	0	48419	0	0	0	0	0	0	0	0	0	0	0	0	0	482	0	0	0	0	0	0	0	0	5394	4196	0	0	0	0	0	936	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	588	467998	0	0	0	0	0	0	861	0	0	0	615630	102048	0	27028	1734	0	5405	5300	0	0	0	0	0	0	0	0	0	0	499	0	Peptide	0.3	1.8	0.2
8	C20 H36 O6 N4	429.27075	429.2713	-0.030399967	429.27075	6919	3850	2829	5270	1458	3602	0	0	0	0	950	0	0	0	0	0	0	958	0	0	0	0	0	0	0	0	0	28064	0	0	0	0	0	0	0	0	972	0	0	0	0	0	0	0	0	0	0	0	0	0	3117	5449	0	0	0	0	0	1344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	302026	0	0	0	0	0	0	0	0	0	0	384461	92633	1423	22468	1118	0	4655	4332	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.8	0.2
6	C25 H36 O4 N2	429.27478	429.2754	-0.30476752	429.27466	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	474	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1053	0	0	24927	0	0	0	0	0	0	0	0	0	0	0	0	1410	0	0	536	0	Lipid	0.16	1.44	0.08
18	C30 H36 O2	429.2788	429.2795	0.27591473	429.27893	0	0	1586	1612	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32446	7443	0	2044	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22938	65138	0	0	0	0	0	Phytochemical	0.06666667	1.2	0.0
20	C23 H40 O7	429.28467	429.28445	-0.050116178	429.28467	0	0	0	0	0	0	3726	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13239	0	0	3543	0	0	0	0	0	0	0	49998	10329	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3043478	1.7391304	0.0
20	C27 H40 O4	429.29993	429.30032	-0.23529957	429.29984	3436	4406	2878	1501	0	0	11982	4834	1499	0	0	3469	0	2626	2089	6866	32525	0	2167	0	0	0	1673	1780	5988	0	8715	0	7614	7465	4259	7616	8790	6029	0	8618	3954	4980	38048	0	0	0	0	0	0	0	0	0	9916	7277	2204	3511	1442	0	1976	1918	3849	7824	0	2416	7122	0	1651	0	3200	0	1738	33937	1224	0	0	2029	4902	8528	26104	7898	0	3351	8696	2536	7587	0	1092	0	2283	3811	17938	2589	1680	32554	0	0	3688	0	0	0	3250	4279	1361	3394	5244	6240	2366	0	0	5947	2727	0	8728	0	Lipid	0.14814815	1.4814814	0.0
10	C21 H40 O5 N4	429.30716	429.3077	-0.12584016	429.3071	4240	0	4019	0	0	4479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	71918	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5501	3674	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	288415	0	0	0	0	0	0	0	0	0	0	379697	141991	0	20014	1461	0	3937	2913	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.9047619	0.1904762
12	C21 H40 O5 N4	429.30716	429.30753	-0.029594118	429.30713	1550	0	1892	2750	0	11177	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	88930	0	0	0	0	1677	0	0	0	0	0	0	0	0	1105	0	0	0	0	0	0	0	0	3273	1590	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	382932	0	0	0	0	0	0	0	0	0	0	261049	129872	0	21558	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.9047619	0.1904762
14	C21 H40 O5 N4	429.30716	429.30756	-0.3486989	429.307	0	0	1438	0	0	2195	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55722	0	0	0	0	0	0	0	0	0	0	282986	91285	0	8367	0	0	1672	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.9047619	0.1904762
16	C21 H40 O5 N4	429.30716	429.30728	0.030491872	429.30716	0	0	1402	0	0	0	0	0	0	0	0	0	0	2157	0	0	0	0	0	0	0	0	0	0	0	0	0	3879	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9836	0	0	0	0	0	0	0	0	0	0	137406	49106	0	1554	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.9047619	0.1904762
28	C28 H44 O1 S1	429.31857	429.3189	-0.10658561	429.3185	5316	5044	4322	4915	3475	7907	0	12900	3027	5949	7412	4010	0	4885	0	11666	0	0	0	9497	0	1420	0	2269	0	3471	6612	6428	3948	2912	7053	9303	3142	5684	2668	4589	3204	5289	2856	9153	2699	0	7267	7234	5242	5066	0	4583	15197	5014	5282	4321	2933	7800	0	0	5913	14529	30515	6132	7066	17250	1856	3698	6234	2555	12991	3414	0	18215	3176	13339	3889	0	13332	4290	6539	4273	4043	0	4737	3380	4128	4093	3132	0	2868	3160	4426	5085	47696	12156	1785	6191	5323	5877	5950	2642	3129	3105	0	0	4022	3889	18717	4438	10237	6435	4746	1741	Organosulfur	0.035714287	1.5714285	0.0
26	C24 H44 O6	429.32108	429.3204	-0.42989376	429.3209	0	0	0	0	0	0	21999	0	0	0	0	0	0	2613	0	0	0	0	0	0	0	0	0	0	0	0	19692	4111	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2821	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36922	10276	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.8333334	0.0
24	C28 H44 O3	429.33633	429.33658	-0.2527972	429.3362	2963	4590	2370	2804	0	4341	12326	10734	0	0	1141	7780	0	1214	6192	14194	47712	0	0	0	0	0	0	1677	5904	0	11385	1438	14401	29399	8764	9833	2358	2613	0	19567	1424	7081	39686	0	0	3730	0	0	0	0	0	0	8291	17824	2053	3086	0	0	0	0	2739	5391	0	1011	6579	0	0	0	3329	0	1896	41817	0	0	0	2586	4611	29607	33429	24636	0	5622	5349	0	1334	0	0	0	0	0	18025	2469	1428	31251	0	1483	0	0	0	0	2981	3373	0	0	0	5452	8700	0	0	2775	0	0	6793	0	Lipid	0.10714286	1.5714285	0.0
28	C28 H44 O3	429.33633	429.3367	-0.2688354	429.3362	3855	3564	6209	4144	1388	2909	22010	13604	2123	0	4237	6079	0	6758	7537	9794	22561	0	0	0	0	0	3949	2844	10801	2577	17393	5097	17719	29865	13341	15601	7057	4316	0	23108	3743	11913	23316	0	0	3225	0	0	0	0	0	0	10852	20192	5418	5188	1961	0	3769	2611	4533	10350	1593	1791	8907	0	815	1477	4387	1939	6499	29386	2627	0	817	2475	5081	32437	12188	22618	0	5783	10505	5694	4267	3688	3156	1471	6905	4795	37914	1793	2425	20664	2154	2720	2748	2363	0	0	6656	6465	3041	5209	9117	11074	7235	4126	2932	4618	6181	0	9666	0	Lipid	0.10714286	1.5714285	0.0
14	C20 H15 O10 N1	430.07687	430.07742	-0.06793375	430.07684	6560	14052	11109	13375	21291	10689	0	0	25391	42658	26749	2113	33983	6629	2595	2664	3391	15864	17447	16201	37674	54285	3538	0	0	5237	1262	8273	3507	0	1075	0	4650	1665	48855	0	7114	3075	2933	14643	39148	6244	0	0	0	13238	33917	0	1681	0	10294	11149	8137	0	20382	21130	5872	0	0	6049	0	21079	36304	29951	6812	22632	5628	4362	0	10866	24756	0	1036	0	1867	1603	0	2318	7461	35807	6043	14753	1048	6212	17070	8308	8005	7209	4285	10100	3246	4411	9662	48289	43011	0	11685	11646	15647	26050	21060	7029	1286	3284	24826	3094	15299	0	2303	28736	Phytochemical	0.5	0.75	0.05
12	C20 H15 O10 N1	430.07687	430.0775	-0.08837575	430.07684	4127	3569	7014	5846	7772	2063	0	0	14408	13900	9995	1726	17667	3023	1720	0	0	12303	15356	11911	21899	25132	2101	3077	0	3469	0	0	0	0	0	0	0	0	37153	0	2315	986	0	7787	21040	1756	0	0	0	3934	14305	0	0	0	6613	5034	3986	0	10954	8735	3838	0	0	0	0	9519	30975	13266	4318	14629	2397	0	0	5945	14843	0	0	0	1578	0	0	884	3791	0	1800	7867	0	2796	8766	3148	6092	4195	3341	4286	0	2627	3117	23823	22975	0	5168	4421	6453	14359	11633	0	1263	0	0	2084	7176	0	0	23128	Phytochemical	0.5	0.75	0.05
20	C20 H15 O10 N1	430.07687	430.07733	-0.1364077	430.0768	11751	14874	11324	9255	19511	12071	2702	1524	17847	34255	15277	4250	27463	7257	5576	5395	4376	30570	20188	18810	29119	45677	4593	8337	4731	1648	2481	3835	0	0	1959	2075	5685	4679	43076	1417	7070	2074	4146	19149	27193	6595	1182	0	0	15534	30244	1046	3104	2141	10229	13374	17953	224	23516	21179	6995	8847	2172	4482	5295	18936	34246	17564	8534	22774	8176	6871	8832	7709	9120	2082	0	0	4181	0	0	2054	12728	29068	9100	14894	3800	0	21448	12859	12051	11147	8808	8685	5601	6635	8371	58912	52639	0	15572	8904	13111	17860	20034	9660	2534	4840	19175	8102	12768	0	7222	29882	Phytochemical	0.5	0.75	0.05
26	C20 H15 O10 N1	430.07687	430.07724	-0.2529031	430.07675	6911	5066	5533	4450	6316	5265	0	0	8709	16699	0	0	17863	2261	0	0	0	11852	13474	0	7741	20952	0	0	0	0	0	0	0	0	0	0	1881	0	16050	0	3947	2787	0	7209	9039	0	0	0	0	0	11468	0	0	0	7131	2635	4695	0	12133	7184	2867	0	0	0	0	6693	17687	10480	3894	10316	2216	0	0	0	3804	0	0	0	0	0	0	0	6345	11949	5591	5027	0	0	9324	0	3865	0	3985	4447	2133	3229	0	23974	38746	0	5821	5057	3589	7018	5189	0	0	0	6803	2267	0	0	0	16421	Phytochemical	0.5	0.75	0.05
28	C20 H15 O10 N1	430.07687	430.07724	-0.20474577	430.07678	5064	5924	5068	5784	9065	6007	2668	0	7876	17812	4183	1536	12094	2471	2936	3981	2739	13677	13150	4783	9424	20550	3080	2839	3367	0	1329	1389	0	0	1988	981	2179	1061	17598	0	3285	3072	1783	7970	8708	3633	0	0	0	6212	8676	0	1085	0	7244	5551	5757	0	14055	5396	2529	3069	2132	1747	4744	6589	15012	9611	3565	10903	4600	2642	0	2177	5541	1057	0	0	0	1408	0	1095	4960	16926	5034	3134	1770	2810	6817	4601	5183	3831	5049	3547	2255	5516	5133	20636	29487	0	5695	6119	4864	4856	6658	2222	1460	2230	5656	3151	4922	0	2902	13334	Phytochemical	0.5	0.75	0.05
18	C20 H15 O10 N1	430.07687	430.07733	-0.16357112	430.0768	17822	15078	14012	14888	22789	9004	2585	2567	23809	54348	22428	3938	35045	7743	4053	6954	3486	32117	25111	23040	33562	58637	8417	6001	5442	4065	2992	11604	0	0	2585	0	7321	0	68609	2814	5354	6328	4532	30467	38347	10857	668	0	0	24842	35662	689	2603	1627	17179	16393	13879	0	25328	22923	8337	6676	4469	5218	4342	20223	49017	26836	10702	29808	10498	5110	10654	9403	16220	2496	0	0	1324	0	0	4073	15824	36651	9301	25061	3195	10859	28436	11784	10732	13262	10050	20448	8977	10224	14263	60632	70805	0	16168	14315	19731	27477	22670	5624	3266	7747	17696	7335	20383	0	3024	40370	Phytochemical	0.5	0.75	0.05
16	C20 H15 O10 N1	430.07687	430.0774	-0.12232745	430.0768	16825	18178	16922	17431	25972	9132	4128	2031	29603	51490	27734	4062	39433	9283	3996	7279	4252	22356	26951	25778	46701	56024	8595	3164	3462	4637	2395	9214	3118	1894	2598	0	5282	0	58575	0	6944	6233	2882	27814	51834	7041	1009	0	0	19831	36332	0	3066	1354	17533	18808	11663	0	30212	21694	12419	6878	3785	6265	8573	24583	49595	27905	8085	32386	11906	4729	18567	11197	16770	1795	0	0	2739	1837	0	2360	14233	42230	12278	19690	1644	8373	22710	14168	8165	9982	12763	0	4868	9404	0	62823	50379	0	16251	13957	16452	26661	24683	4838	2200	2435	15510	0	15903	0	2845	43655	Phytochemical	0.5	0.75	0.05
22	C20 H15 O10 N1	430.07687	430.0773	-0.2341285	430.07678	4982	9095	8604	7165	14152	11026	3082	3395	16987	18282	8636	2191	17595	5654	2904	6640	2613	17350	15256	7406	16803	36332	6672	4924	3596	1863	1442	3056	2381	1568	1881	0	3137	2207	19152	0	5522	3325	2849	10499	15038	4364	0	0	459	11318	18843	0	4319	1716	9836	8159	8981	470	19144	8366	4912	4266	2383	2931	2832	9595	24832	17702	4313	12664	4243	1866	1733	3088	4256	1142	0	0	1114	0	365	2193	9711	24511	6535	10487	2088	5652	17311	7578	10798	5715	7881	6923	2848	4223	8831	40528	40274	0	4606	10507	11047	12402	8911	4198	1969	3147	10712	5154	6880	0	4824	29205	Phytochemical	0.5	0.75	0.05
24	C20 H15 O10 N1	430.07687	430.0773	-0.21115617	430.07678	4988	5509	6438	7922	7899	6170	0	1147	9540	14109	3854	2178	17430	3745	3040	2348	2608	10660	10656	4389	11911	24233	4456	2597	1326	0	1360	1712	0	1086	1386	0	2167	0	16480	0	1102	1486	1287	3969	9972	2780	0	0	0	8247	13106	0	1971	1609	5442	6019	7583	0	13304	9401	3664	1714	1815	2019	2008	4342	15794	11876	2410	10842	3884	1499	2089	0	3088	0	0	0	0	0	0	1465	6944	16422	4252	8301	1311	2861	10892	7521	2963	4368	3384	3391	3546	0	6537	27770	36557	0	4282	5264	6025	6690	7022	2140	2117	2797	5600	1814	6432	0	2981	19604	Phytochemical	0.5	0.75	0.05
20	C17 H19 O12 N1	430.098	430.0986	0.03482961	430.09802	5501	4589	4872	3863	17378	13476	0	3386	15393	4123	2601	6061	22330	6011	5283	1964	4348	19651	17922	3175	8993	5936	7164	1689	0	0	0	1682	0	1543	2582	2307	1448	1959	1790	2018	2114	4426	1516	3207	7696	4771	785	0	380	9619	23425	707	0	1780	6661	3534	9491	0	14592	14999	6713	0	3223	5331	2659	3783	18659	16743	6834	9563	7984	3229	5879	0	0	0	1282	1562	3282	1371	414	5314	0	5878	3169	7819	0	0	26802	3811	0	7216	6508	0	0	6849	4482	6992	0	0	4604	6810	14996	8909	11650	3588	3126	2730	22578	2632	15325	0	2090	20719	Phytochemical	0.7058824	1.117647	0.05882353
18	C17 H19 O12 N1	430.098	430.09854	-0.09041647	430.09796	11132	8323	10116	7549	24818	18817	2485	4592	31618	0	7885	10196	51265	11944	8608	3936	7756	36919	31650	3886	16332	7071	11814	3916	2179	1881	2641	0	0	2473	3284	3306	7413	0	7435	3142	6031	5188	3888	5223	8813	14501	1668	0	629	12390	24514	904	2101	4410	10420	12273	16443	0	39076	35035	12367	3441	6023	7162	4217	17490	40549	33655	12716	27103	15260	6143	7953	0	0	3185	4316	2690	8487	0	467	7896	6230	8702	7606	11651	2117	1418	35657	14986	5241	7932	12734	4430	0	4735	6778	12994	0	0	9517	15565	32305	20230	23578	8219	6299	9334	20999	7016	29042	0	1304	44817	Phytochemical	0.7058824	1.117647	0.05882353
8	C17 H19 O12 N1	430.098	430.0987	-0.06726823	430.09796	11795	13980	6997	10108	24490	7366	2732	4096	28715	8116	11563	8295	46672	4169	4249	4976	9214	28668	29016	6843	20889	17131	9552	6169	1066	618	2816	0	4110	4147	2665	2736	5760	4066	11298	4221	6511	4190	6166	3183	13033	15075	0	0	0	5391	15261	0	3496	5171	8201	13151	12837	0	31779	35552	10488	5763	2726	6631	5917	6612	58769	36217	11255	24837	11617	9289	0	0	4169	4435	2761	2962	6813	3685	0	4519	6074	5410	6074	2621	1066	0	31262	8558	5278	13537	11329	10151	0	0	11223	16908	12814	0	7570	12815	27268	35557	36514	12232	6321	5731	0	6401	25798	0	1859	43848	Phytochemical	0.7058824	1.117647	0.05882353
10	C17 H19 O12 N1	430.098	430.0986	-0.123392634	430.09796	39940	40434	47340	31572	85976	38342	6108	16100	116326	32206	53004	33816	170426	22374	21141	18934	35680	119878	121742	42010	84640	70876	46470	22656	3372	1147	9750	6820	15350	16424	12648	12772	30816	14222	50846	14366	28576	21820	18776	22956	56064	63484	2032	0	0	31268	64512	0	12750	27854	37246	39624	48944	0	159552	134364	41060	13918	19630	31460	22910	33342	184378	142988	52306	108488	48846	32390	18388	0	18302	14098	14410	12344	26800	13474	0	22221	29374	43864	25800	18360	6926	5102	136678	43484	22996	49062	42964	32042	7668	10706	36888	80178	38812	0	40830	59998	110658	113348	118684	37666	23614	20112	34974	23310	107192	0	5620	167822	Phytochemical	0.7058824	1.117647	0.05882353
12	C17 H19 O12 N1	430.098	430.0986	-0.08703148	430.09796	25578	26672	22852	28613	57530	25228	5235	14160	79471	12923	34059	24487	113911	15045	20452	12664	27807	84798	92568	23832	57358	32630	35456	11201	1186	0	2196	0	8128	5163	7571	6330	20394	5826	26067	9899	17969	13423	18706	13250	41240	39274	1244	0	0	16448	61962	0	6201	11226	26922	26222	41497	0	99024	90009	31096	7711	11592	22627	0	23238	138088	94895	31047	62648	35193	22268	0	0	13337	9104	9358	8747	14092	4830	0	15741	18865	24457	18259	16943	5815	2912	80416	28884	16994	28196	28547	19794	3057	10527	23973	53596	21796	0	23859	43728	72627	67298	74246	26733	16331	10293	45894	19146	64316	0	3924	114933	Phytochemical	0.7058824	1.117647	0.05882353
22	C21 H19 O9 N1	430.11325	430.1137	-0.18369311	430.1132	18858	18442	15357	18774	20783	9845	3811	1582	21751	75115	30230	3639	27273	6773	4457	6460	4673	24172	19574	30577	54778	58402	7990	10483	4645	25100	4521	19174	4441	3954	4050	0	4275	3618	74883	2210	7703	4830	4672	32218	35634	4798	0	0	547	39076	50392	0	4953	3073	15281	15268	14164	445	23878	19608	12333	3790	5052	4081	11221	26943	36836	22517	8385	19227	9068	5311	30096	35856	37156	4469	0	1843	2001	1814	661	3207	12763	42191	8408	30677	5777	22161	17681	10068	8640	8640	7639	8309	13927	18994	13035	58573	77443	0	14452	16487	14467	14681	16627	4344	2594	7145	25103	4368	14234	0	6750	31754	Phytochemical	0.42857143	0.9047619	0.04761905
24	C21 H19 O9 N1	430.11325	430.11365	-0.15783754	430.1132	7692	6369	5587	10539	6711	4208	0	1257	10081	38082	11649	1202	13915	3301	2695	1782	2048	12258	13552	12505	15060	31335	5112	1942	2555	8698	1976	7424	1738	0	1466	1060	2994	2796	40594	1254	1389	4477	2612	16306	14107	2920	0	0	0	16430	22087	0	1771	0	6618	9016	3938	0	11196	3908	4764	1701	2789	2335	2249	13799	13768	10044	4113	12516	3074	1689	12357	17710	18896	1245	0	0	1397	1334	0	2037	5119	18057	4620	12917	2243	11379	13966	4301	4780	2753	2767	3595	3190	5841	4307	37585	45482	0	8132	7472	5752	8084	7257	1385	1299	2560	13863	2247	4638	0	1740	15606	Phytochemical	0.42857143	0.9047619	0.04761905
18	C21 H19 O9 N1	430.11325	430.1137	-0.18655063	430.1132	51086	57610	50200	48980	42233	29846	11570	19012	48184	230229	100636	9700	73105	22234	14817	19216	14585	66996	58377	113576	134831	121347	25090	25533	19735	86940	13756	65766	17175	8866	12000	15378	28135	12556	228051	12944	24877	18815	16637	115735	100508	25845	1728	0	0	88923	89851	437	16550	10087	48811	53311	28004	325	61032	44508	25639	27087	16209	13689	23051	70968	85700	51421	20341	61638	35220	12884	99122	119563	133267	11444	7886	5684	10588	5884	0	9068	32485	111736	20930	70776	14979	67564	52194	26295	39392	31019	22784	27386	35877	52727	41802	125487	189080	559	43823	52624	37350	44398	42116	24758	11209	20775	60421	23640	33703	0	18088	72491	Phytochemical	0.42857143	0.9047619	0.04761905
10	C21 H19 O9 N1	430.11325	430.11386	-0.07368846	430.11322	27052	16137	18212	18931	17586	11367	17886	11185	24756	79080	41889	9301	39765	7129	9880	12661	38514	18530	19444	52554	60376	44085	11951	9185	5748	35534	8276	20133	5120	2709	4752	8011	16182	4356	95231	10460	13426	6458	31748	36618	46276	12558	0	0	0	25142	37544	0	9651	9270	18366	28260	11049	0	32486	21043	7718	9503	5632	8060	0	25550	39262	19724	5316	24590	8909	76783	62761	51684	73850	2486	3477	3136	606076	3350	0	3570	14175	27181	8391	19076	5375	16200	23957	11597	11584	13182	6995	11500	8312	12041	13766	46003	49808	0	24645	16057	15764	27488	18495	16968	3000	8042	20953	13033	19737	0	4170	40677	Phytochemical	0.42857143	0.9047619	0.04761905
12	C21 H19 O9 N1	430.11325	430.11383	-0.09366521	430.11322	22918	27302	30168	23637	31277	16514	9078	6533	34344	99131	66984	7123	46046	13505	9125	15350	13584	31158	35832	77216	100483	81781	16392	10696	9181	55067	6884	46371	4824	5314	7992	6203	12939	5013	156476	6875	13632	12546	13092	62489	99364	11167	336	0	0	39130	71972	0	11442	6930	30959	25584	22433	0	42844	24358	14586	10135	9417	15943	0	62566	62890	29511	10381	36915	13808	9941	108961	99564	138834	5865	5975	3088	7697	7685	0	9783	21007	59336	16647	40282	10397	33713	30462	11949	21709	13996	9869	27813	11315	27813	19925	72813	56387	0	29744	25391	27709	29952	27865	12068	8377	8737	31193	12074	22805	0	12177	53185	Phytochemical	0.42857143	0.9047619	0.04761905
20	C21 H19 O9 N1	430.11325	430.1137	-0.19436206	430.11316	38587	35038	33663	31328	32326	19051	8766	3790	38302	141296	66430	8525	59386	21066	10425	17290	9753	45361	39538	84417	96276	103452	14200	14275	13676	47912	7929	41935	12417	3898	6483	7916	16349	4543	151926	3438	11912	8702	8407	78624	70442	14950	2154	0	333	72009	82394	0	7898	5080	32384	37255	23814	546	42329	29358	13883	15741	15152	8971	12903	53634	62133	35579	12354	39764	20675	7123	60720	78432	82513	6977	6340	1722	5539	3894	450	7864	27005	80981	15994	52585	12155	53473	35968	20972	19910	16384	16346	21553	30064	33066	18685	104127	106435	513	32868	35338	21548	30217	31051	16296	8225	16040	51983	14197	28908	0	9653	56690	Phytochemical	0.42857143	0.9047619	0.04761905
8	C21 H19 O9 N1	430.11325	430.1139	-0.12386695	430.1132	8243	11389	5781	7529	8757	5162	1555	2375	13138	41975	24978	3019	17170	3676	1380	5430	3063	8838	11303	18427	32697	21174	4297	3577	1200	9464	1204	5810	1958	1393	2543	2124	3543	1966	49079	1386	3600	3339	4519	14232	25620	2705	0	0	0	13253	25659	0	2127	1160	9274	10678	5110	0	12055	10402	3614	3833	2486	4253	0	13969	17701	10973	3090	11241	4774	4797	28665	23158	43183	2811	2187	1457	1330	1892	0	1894	7942	9346	4402	9546	2863	11018	9829	0	6457	3902	6618	6159	0	0	7013	25350	19827	0	9985	7059	8956	13284	11592	3238	1598	3535	10723	4737	7859	0	2010	19236	Phytochemical	0.42857143	0.9047619	0.04761905
28	C21 H19 O9 N1	430.11325	430.11362	-0.19164303	430.1132	4668	3466	4174	4468	3033	3074	830	0	5625	18091	6445	1396	6373	1537	0	2251	0	6906	6345	5132	11235	12170	2011	2227	2339	4543	1380	5339	0	0	1481	1002	2009	1516	15278	0	1979	1447	1776	8149	7950	0	0	0	0	7630	11900	0	1311	0	3725	5746	4475	0	4987	2561	1946	1089	1195	1549	0	7277	4180	5731	2096	4272	1800	2128	7515	7875	12521	2048	0	0	0	0	0	1082	3296	12775	2387	6182	1715	3941	5264	1785	3470	1442	2160	1883	3323	5441	3085	13339	20585	0	3436	4505	3083	2194	2630	2593	2069	2737	5760	2246	1292	0	2130	7833	Phytochemical	0.42857143	0.9047619	0.04761905
26	C21 H19 O9 N1	430.11325	430.11362	-0.26400006	430.11316	4642	2492	5460	3227	6143	3996	0	0	8402	25666	5510	0	10763	2642	0	0	0	7347	7683	10286	13199	20349	0	0	0	0	0	4798	0	0	0	0	1885	0	24842	0	2901	0	2873	9578	11147	0	0	0	0	8989	12987	0	0	0	6710	5506	4026	0	9483	7980	0	2132	0	0	0	6745	9775	7807	2859	5955	4863	0	10207	10605	13755	0	0	0	0	0	0	0	3560	18360	3441	8199	0	6118	6196	0	5457	2593	2602	2820	4518	3830	0	24234	42797	0	6145	5224	0	4267	0	0	0	0	7359	2257	0	0	0	11155	Phytochemical	0.42857143	0.9047619	0.04761905
16	C21 H19 O9 N1	430.11325	430.11377	-0.1187689	430.11322	52193	59891	49906	56595	46309	35582	18581	15956	56029	232288	114397	14607	80332	30532	18156	23699	13657	66934	65689	127732	146863	147021	29466	21787	16263	103148	18127	67873	11697	10797	16441	9980	31638	10642	284976	12564	22715	13067	18650	124609	117870	22905	1620	0	0	92177	115909	546	19255	15118	51555	61711	41081	336	53262	41022	26922	28406	23354	19029	31177	91326	91354	47455	18657	66282	26610	18902	122297	150109	155660	14726	8520	6750	9690	12879	0	10282	39095	122563	20362	76340	19494	76917	52635	27306	34145	24798	23815	32131	45973	58389	48612	139676	184100	0	52943	56533	38630	48004	43483	28856	11916	26437	56851	21321	37168	0	19354	88648	Phytochemical	0.42857143	0.9047619	0.04761905
18	C18 H23 O9 N1 S1	430.11664	430.11713	-0.06606354	430.1166	8812	9041	10145	8498	5596	5603	2996	3746	4364	27014	7136	3530	15330	3413	4045	5518	4371	14523	7434	16976	16632	25418	4710	7884	7787	12450	2834	7187	7272	2870	4049	4576	6574	0	23804	2619	5904	3888	2768	23412	10418	4653	343	0	0	10942	8008	0	6757	2979	7767	9101	8208	0	10770	5520	4184	4952	10086	5812	6558	20587	6165	6662	3297	6244	8601	2650	11736	10217	11604	3952	3331	2240	3591	5901	0	3004	3619	10971	2096	7184	7635	12062	7833	4617	3451	6773	3540	5350	16445	31035	11041	16588	26564	0	10671	10105	6681	6028	2949	6577	3754	8670	8469	6154	6392	0	4512	9216	Organosulfur	0.5	1.2777778	0.055555556
24	C18 H23 O11 N1	430.1344	430.13483	-0.14098638	430.13434	8957	10188	11757	10058	12738	10408	3215	11018	10896	15294	9218	10507	14845	2511	9898	6607	12084	24434	12413	19479	32408	4248	10698	9221	0	6388	2432	3247	4669	10421	8192	8452	3192	4690	11876	5535	11131	6623	9359	7953	19690	5170	0	0	0	21765	44951	0	7390	8937	11110	10466	6861	0	10115	8709	6526	4329	5921	7233	7771	14110	11078	14214	4688	7247	6371	7737	19160	13118	16894	9239	7722	8789	12444	11557	0	8104	4841	3348	10084	17019	2992	6547	16455	7810	2696	5967	5977	0	4763	3029	5001	8189	6032	0	11164	8759	12558	5038	3536	9098	7861	9453	21006	6314	13665	0	3457	13558	Phytochemical	0.6111111	1.2777778	0.055555556
26	C18 H23 O11 N1	430.1344	430.1348	-0.20641711	430.1343	7553	10720	9706	7627	12542	11065	0	7573	9885	17933	6948	8295	10897	4268	0	7201	0	18458	11103	22602	38058	5114	8404	0	0	5018	0	3534	0	0	5764	8099	8117	5098	16200	6174	7119	4551	5187	7592	15733	0	0	0	0	18239	35206	0	5193	6892	10109	8083	9478	0	12022	7750	4741	2971	6227	9456	6927	15856	12192	11086	4622	6430	7377	5414	15695	19766	23860	8439	7067	7879	10494	4949	0	7278	3290	0	6255	11087	2662	6302	8953	0	2604	5465	7297	2984	0	3256	6489	4083	6497	0	9545	10466	8933	3109	0	6113	6309	6640	12291	4857	7308	0	2927	14337	Phytochemical	0.6111111	1.2777778	0.055555556
12	C18 H23 O11 N1	430.1344	430.13498	-0.114302866	430.13434	191820	181122	197537	186905	213301	172948	133474	254863	315956	317289	239180	150862	386838	86000	206047	155062	231470	450143	429204	421708	573802	323368	269116	212232	81392	100271	90000	148639	193876	172758	176388	138199	217827	141259	477344	173520	189126	165980	150045	264128	332428	199124	8194	702	886	309432	421043	766	141416	212611	195301	195894	192961	978	527892	251879	136600	154857	259993	225969	198786	293494	406009	328027	115168	257685	168069	164858	357200	174665	265761	157386	146289	171554	137035	136245	585	172095	161192	241028	159255	216124	100487	97122	295077	173942	118481	135169	168554	153551	73222	157511	233324	275226	226456	1447	189241	314010	274821	173641	210363	239065	152246	199508	372044	166858	278160	378	85283	410445	Phytochemical	0.6111111	1.2777778	0.055555556
14	C18 H23 O11 N1	430.1344	430.13495	-0.12577327	430.13434	234082	202394	209312	228047	252538	226125	121974	248044	349602	283020	255707	157601	539014	127042	234326	204501	193318	505363	452031	442167	621213	325348	267209	230063	103210	141308	93898	134477	196280	202692	150663	184365	231659	138921	427725	217019	180453	166916	139121	270676	299932	220492	10106	1055	860	375302	556514	1668	143819	211326	193882	206963	217648	1071	610506	279718	136983	160573	302985	184287	254564	332931	421897	383540	143925	258801	190718	138295	439649	234489	292150	171540	175853	220853	172931	144034	812	183292	149167	237483	157374	269213	101102	105886	348566	219167	130128	158948	193344	120047	92147	157809	240175	265220	249028	2480	221380	319018	277856	200107	241727	274039	159854	255691	513918	179012	297311	944	87623	432137	Phytochemical	0.6111111	1.2777778	0.055555556
22	C18 H23 O11 N1	430.1344	430.13486	-0.16403987	430.1343	17891	20550	18538	15904	24039	18616	6124	24834	22951	23957	16293	20854	31874	9033	18566	14610	19433	37536	24186	32502	52906	11412	22831	22031	7719	14521	5529	7589	17916	19102	14631	11872	15396	14550	25300	20274	14543	18928	12987	20824	31790	14388	0	0	1002	39196	79362	0	17747	21606	20109	19106	16044	900	32222	19783	13087	12485	12438	18749	18326	30476	30242	21723	12890	18919	15703	14996	33817	16800	29177	22395	19648	24428	20972	15689	1575	16558	14617	11409	18024	33711	5820	12148	38582	14106	10880	12132	13372	7399	6140	8347	17245	15460	16109	0	17563	25627	28561	16566	13877	18678	15626	16658	42111	15922	24005	0	7990	31183	Phytochemical	0.6111111	1.2777778	0.055555556
6	C18 H23 O11 N1	430.1344	430.13507	-0.14691359	430.13434	17775	22722	20015	22556	18556	14598	7955	23885	26028	24125	24403	17890	42027	8910	15117	30812	23063	33079	35156	23155	42419	28634	21308	26346	6910	7225	9761	4441	18046	17974	16975	13421	23308	16621	33331	14227	23433	15160	25713	13967	23722	20955	0	0	0	16917	35826	0	17604	22189	20619	25567	17943	0	37414	28448	12226	18810	14684	22645	24454	13372	41126	31740	12776	27042	17888	27650	13735	9678	14623	16174	16251	15819	13221	14277	0	13631	14340	6470	13050	10536	6862	4698	32533	17338	11273	16954	18967	25933	13572	10266	31114	19747	24098	0	22962	22855	19888	24758	33211	28850	12500	26368	16093	21000	27036	0	8345	42350	Phytochemical	0.6111111	1.2777778	0.055555556
16	C18 H23 O11 N1	430.1344	430.1349	-0.1513992	430.1343	169388	177835	187511	183367	222111	174947	79913	183599	257980	219377	180047	125888	389506	96611	171378	144752	155402	398817	357658	338029	430704	191212	210312	166693	76448	123623	73802	94191	158556	152823	154791	158355	169599	121068	290833	176293	167706	121108	109003	217778	219172	158816	10116	1556	1448	300212	467674	1559	148696	181735	177275	162299	179317	1382	340112	205324	116289	126789	177386	130985	186872	244828	278987	255937	103166	216244	156155	101188	329868	191157	278272	150024	156401	165334	137298	131340	1507	127126	124975	162873	124642	231635	85119	104691	276690	151374	104891	122847	148732	105079	53759	116604	171186	157738	174208	2732	166372	219084	219684	133874	169359	201308	134453	174654	288378	149780	248419	1719	73038	319829	Phytochemical	0.6111111	1.2777778	0.055555556
16	C22 H23 O8 N1	430.14966	430.15015	-0.1595245	430.14957	87873	88821	72144	86923	65836	49091	33776	43891	69570	281775	158035	31470	83394	44278	35117	56801	37450	84023	85128	234734	248550	139502	46176	61189	35865	208900	37652	133040	39590	38966	35892	39179	54492	33299	335241	39065	50830	32415	44188	192908	171496	39387	1458	0	0	112939	123581	0	51135	35607	88814	84109	49394	0	65711	55118	30902	57651	42851	46028	60173	120921	99147	56105	26804	78593	44929	36359	201744	327199	310050	46533	36432	26006	35837	38368	0	27336	57848	109067	32532	79295	49469	132498	60468	36394	60318	42245	42934	80477	68566	96219	86903	111358	186897	0	87039	85911	52810	55920	46971	65697	28031	57891	68988	59202	46558	0	35916	80755	Phytochemical	0.36363637	1.0454545	0.045454547
24	C22 H23 O8 N1	430.14966	430.15002	-0.22688559	430.14954	12814	12178	10235	13463	14334	8467	3518	4909	9923	44483	20263	3401	17137	4740	4216	7887	6159	15660	13722	27008	28605	19281	7163	7600	3949	25855	2023	21020	4675	2949	2543	4623	6512	6977	40610	4727	7613	3294	4093	26655	22887	8165	0	0	0	21404	30914	0	7123	5964	10366	9155	8668	0	11083	10964	4651	7729	5518	4038	8746	21280	16282	13768	6228	13698	8188	1969	32460	42292	48480	3685	4443	3181	5195	2701	0	3439	11416	17385	7398	15199	4265	16150	11939	6734	7849	6044	5718	6249	10175	11420	12724	24490	36399	0	13046	13145	9210	8336	8350	6188	2751	5523	14607	7631	4600	0	4599	19582	Phytochemical	0.36363637	1.0454545	0.045454547
26	C22 H23 O8 N1	430.14966	430.14993	-0.27482393	430.14954	3876	3798	6299	3961	3442	3118	0	0	5006	22529	9762	0	5071	2179	0	0	0	6783	5956	6485	11054	12446	0	0	0	11717	0	6899	0	0	0	0	4626	2851	19839	0	3170	0	3046	11424	11763	0	0	0	0	9902	15274	0	2549	0	4687	6291	3177	0	7998	0	0	3684	0	0	0	8294	4872	5254	0	5387	0	4134	16148	16793	22918	3734	0	0	0	0	0	0	2454	8229	4584	5765	0	6938	5920	0	2976	4542	0	5040	4427	4270	7901	12836	19035	0	6137	0	4257	3760	0	0	0	0	0	2783	0	0	2701	8895	Phytochemical	0.36363637	1.0454545	0.045454547
6	C22 H23 O8 N1	430.14966	430.15033	-0.11291147	430.1496	9941	13227	9051	9491	7658	4829	3961	5668	8394	37472	19097	2844	10151	3913	4640	6165	3709	8815	10004	27996	39391	18242	4395	7967	3059	18356	3708	8926	3132	3547	3031	5601	5767	4299	40962	3412	7909	4131	5528	17844	24047	2697	0	0	0	15827	22836	0	5230	5332	7983	10431	4414	0	10318	5456	3405	7233	2587	4592	4532	13911	9836	6742	3061	10023	5006	7889	20227	31503	44701	5412	3612	3257	0	4786	0	3538	6253	10828	4642	10820	4319	11601	8864	2765	7373	5013	3446	9316	6007	6314	11362	16928	21443	0	9827	7806	5814	7611	6392	7546	3483	8153	7146	4881	6176	0	4044	8411	Phytochemical	0.36363637	1.0454545	0.045454547
18	C22 H23 O8 N1	430.14966	430.15012	-0.17592022	430.14957	95244	87191	95093	74964	67410	49514	35236	40751	58307	301533	169642	28648	84672	43229	37240	51923	34218	87533	101651	246077	241418	152127	44460	52755	40784	213636	25471	141781	42671	29981	32863	35907	52843	40814	329193	34857	60314	27116	38715	208259	163107	45861	2073	0	0	125941	125356	0	59946	39539	75669	90519	55740	420	82038	58842	33006	61774	44930	39761	51475	141103	90003	65342	32434	86979	46761	37856	195679	305481	308992	36443	28302	27209	26023	40174	0	30917	56400	101113	38098	85526	42464	110663	71127	44402	51228	44658	40855	64955	91873	102343	97052	126914	187456	0	91287	94446	53817	51782	56595	49924	25799	58973	71827	47028	40701	0	43128	97871	Phytochemical	0.36363637	1.0454545	0.045454547
22	C22 H23 O8 N1	430.14966	430.1501	-0.20524037	430.14957	30803	35266	33939	34752	27552	21706	10648	9797	28615	122936	66891	10859	37533	22166	12888	17597	12315	34224	32319	78971	92231	62639	21043	21616	14805	75125	14492	59246	11950	8428	10526	6387	17315	15341	120117	14633	18734	11541	10454	70432	60234	14605	0	0	541	56797	65842	0	16520	10969	32581	31294	24281	0	30886	21521	15345	15006	14388	10591	19840	63093	43766	26910	18436	28953	24986	11695	84594	109385	108760	12023	13238	7472	9155	11721	0	12466	22077	52904	14538	34538	16225	46864	31112	21560	23249	17822	16562	18038	25885	44816	26304	59497	85589	0	31726	36812	23696	22980	29427	20042	11309	18954	38423	18034	24980	0	16006	43906	Phytochemical	0.36363637	1.0454545	0.045454547
16	C11 H28 O9 N5 S1 Na1	430.1578	430.15848	-0.45727676	430.15762	38258	37558	36786	36523	34099	20490	18804	30063	36782	88869	54756	17896	25960	18443	27096	32636	20489	23830	34690	84739	72346	36572	24850	29344	25402	98268	19997	40790	26081	24871	21618	34023	33140	20859	88282	26897	24542	24722	27919	56784	61831	14920	883	0	0	36509	48795	0	33809	23897	36920	41181	23559	0	34471	22262	16175	36608	25613	20690	36110	29749	31393	24920	15273	23834	19847	22605	89584	118919	129934	26267	25955	25962	17787	27025	0	22197	36946	30440	23529	31662	31749	38637	39554	17859	28406	15591	22645	0	31651	22025	0	29677	34150	0	31817	38965	26201	24580	25048	27813	19814	33069	22234	18366	26413	0	25588	33053	Organosulfur	0.8181818	2.5454545	0.45454547
26	C19 H27 O10 N1	430.17078	430.1712	-0.22683103	430.1707	8655	7361	9995	10708	7877	7137	1897	11381	7802	24859	6560	8144	12529	0	8799	8536	8501	13677	11817	26630	25113	6716	8305	12820	6403	13714	0	3090	7055	7670	7612	7190	6227	8387	23090	6874	9244	5703	5077	14237	14088	0	0	0	0	11287	14434	0	8494	11300	10915	6290	4821	0	10176	0	4211	5334	7497	5545	8939	8774	10943	8821	2745	6274	4167	5600	17608	27558	22620	10936	9604	14095	11978	6910	0	7319	8070	0	7758	6688	4178	8635	8707	0	2687	3791	4772	2915	4662	3758	13484	0	0	0	10344	12596	3932	3910	7144	6633	5795	9034	6055	8039	4893	0	5164	13239	Lipid	0.5263158	1.4210526	0.05263158
4	C19 H27 O10 N1	430.17078	430.1715	-0.153501	430.17072	6935	6632	6153	5499	4868	6723	2356	7279	6449	6745	3891	4034	12967	3887	6327	6726	6708	7741	8860	9179	9679	11247	6112	8750	3699	3513	3080	0	7894	6562	6041	6277	8327	4547	10556	6397	8719	4238	9641	6362	7300	5390	0	0	0	6670	10061	0	5741	7268	6694	5302	4651	297	17594	6795	3575	7950	8163	6121	7769	4373	11246	7260	3864	7338	4927	7166	5526	3448	4645	7430	6222	6236	0	4989	0	5294	4108	4686	4814	4524	3651	2782	8156	4864	4187	4203	4393	5763	0	6662	20252	4112	4962	0	7003	8218	5358	8682	8227	8736	4017	10182	6921	6515	5350	0	2660	19922	Lipid	0.5263158	1.4210526	0.05263158
28	C19 H27 O10 N1	430.17078	430.1712	-0.20959416	430.1707	11249	9104	8902	10008	6618	7689	4287	11832	6283	27426	9844	4578	8708	3787	7954	9787	5749	13852	9302	32934	33969	7357	8079	9096	5286	21412	4243	9185	8392	7681	7747	7643	7954	10665	22520	10616	7510	3436	5473	14151	13433	5954	0	0	0	12407	11839	0	10195	8564	9765	9118	6795	0	9599	5542	3842	7427	4827	4227	8926	8891	7913	6106	2857	5843	3803	5336	23744	37640	33172	9815	7715	10529	9421	9231	0	6112	5754	3041	5432	7252	6631	12880	6598	4297	5740	4763	5868	2870	5071	8264	8431	4544	4575	0	9547	8448	6104	3499	4440	8535	5440	10749	7613	6774	3786	0	4885	10378	Lipid	0.5263158	1.4210526	0.05263158
4	C18 H27 O9 N3	430.182	430.18277	-0.18979712	430.18192	6960	6833	6468	6194	3884	2763	3056	8947	5269	3850	2122	3530	9537	1742	6163	8067	7062	7230	7839	4017	2757	9223	6669	8492	2534	0	2998	0	6213	5736	6206	5603	9257	5101	5513	6114	10780	4934	7964	2472	2750	4813	0	0	0	4570	2554	0	7908	5223	4706	4524	4466	0	9372	3266	2896	8835	6025	3566	8560	2126	8047	6431	2555	6189	4474	5739	0	0	0	5679	4400	4847	1554	4908	0	3378	5495	0	3726	1873	2619	669	3782	3331	5487	4900	4389	10881	12935	10541	24835	1740	1927	0	7684	5418	2478	3643	4135	5973	4358	6902	0	8308	3615	0	2954	8615	Peptide	0.5	1.5	0.16666667
12	C18 H27 O9 N3	430.182	430.1825	-0.052073315	430.18198	6508	5887	5629	4515	2487	3562	3506	10982	2034	0	0	4120	1779	1121	9350	3935	0	5773	3680	3140	2083	0	8439	6378	8374	0	0	0	9807	5605	6246	9350	12933	6919	4867	8333	8246	10057	4268	3151	0	2921	0	0	0	4875	0	0	8675	6305	4785	3277	3938	0	6762	0	2426	8476	7095	0	0	0	4135	3151	949	4366	3773	0	0	0	0	7420	5036	4327	4164	5573	0	5635	4710	0	4360	1344	3155	1932	2922	3248	7798	2673	4381	7430	20286	18419	14967	0	1407	0	6037	7666	2028	1101	0	5718	4477	0	0	11135	3019	0	4992	4883	Peptide	0.5	1.5	0.16666667
10	C18 H27 O9 N3	430.182	430.1826	-0.1699839	430.18195	10724	6461	11677	6532	3498	3548	8532	11099	6555	4253	2362	5530	8196	2121	17399	13258	7140	9123	11095	5280	5882	14353	12261	11520	16270	0	7205	4851	13764	10875	11034	13259	16539	10481	8460	11763	14277	12918	8519	0	4446	6326	0	0	0	6154	3025	0	15168	8813	9881	11175	4969	0	12600	4176	7551	17617	9525	3492	10658	2699	7413	7264	7436	7926	5718	6995	0	0	0	11416	10965	9426	4064	9971	0	8834	8498	8016	7253	4336	5869	2041	4476	6112	9201	5592	7090	15318	21453	21177	27467	4192	4710	0	9562	10814	3653	3071	2613	15086	9139	9534	0	13986	4530	0	8287	7711	Peptide	0.5	1.5	0.16666667
8	C18 H27 O9 N3	430.182	430.1826	-0.20596397	430.18192	13191	10413	11940	14464	5041	5204	7191	12281	8758	5727	4201	8847	10026	2286	14224	19580	7863	9362	12280	10152	7116	16799	12166	17196	11509	0	6788	5536	14387	11051	14633	20149	14097	13251	10748	11316	20110	12138	10874	6302	4003	7702	0	0	0	6304	5817	0	13928	11751	11099	14788	7414	0	15552	4178	5641	17159	13484	5203	19140	2971	11534	9795	3725	10707	7443	13643	0	1701	0	15607	11083	10365	8071	10531	0	10240	10765	4615	7543	4279	5211	0	6394	4563	11365	8759	7579	17566	26127	32482	34892	5151	6010	0	11629	12746	3637	4716	3212	15587	7992	16205	0	18793	3031	0	8596	16358	Peptide	0.5	1.5	0.16666667
6	C18 H27 O9 N3	430.182	430.18265	-0.16892149	430.18195	14830	14461	13485	12844	6765	4929	6882	13068	7076	5702	3417	7047	13988	1759	13627	18605	11382	12618	14708	7701	7632	19685	12010	18792	9393	0	6541	4527	14520	10682	12942	16761	19926	13740	13046	12549	18806	10927	12910	5256	3888	7044	0	0	0	9428	3178	0	16348	12795	11158	12622	7877	0	15485	5007	4732	20810	11333	6022	25365	2735	17372	8861	3108	13989	10621	14489	0	2311	0	14038	13911	12716	3988	10219	0	8676	6473	3861	6469	3700	5358	2350	6683	4616	10365	9584	10588	23098	18751	24274	37083	4629	6386	0	13705	10385	3966	5281	5150	18328	8787	11830	0	20325	5674	0	7664	14512	Peptide	0.5	1.5	0.16666667
20	C25 H28 O4 N1 Na1	430.19888	430.19916	0.2689468	430.199	169116	171364	181875	165354	141027	104362	96132	165114	193441	228635	160957	133613	159924	95846	207056	203538	128225	163801	233778	256580	275054	177598	140163	188239	131659	372849	116979	184260	155617	136840	140992	154182	170766	129533	239529	147070	201417	217689	122901	214251	178297	116166	2206	0	0	156198	140531	0	175579	125165	180922	174020	133383	633	145699	132540	91336	179923	136843	111257	207229	155885	139629	169012	75444	144548	130755	150845	299114	468027	491264	140061	104445	123418	117547	131866	0	154928	170510	105949	136719	90021	131829	136640	136731	100069	185994	122831	129806	179546	246848	211523	245672	96057	150071	0	176992	185766	112883	105943	135358	182358	243872	185333	97106	145465	138242	0	131308	142434	Phytochemical	0.16	1.12	0.04
6	C20 H31 O9 N1	430.20715	430.2078	-0.2424723	430.20706	15979	16070	12021	14369	8058	7000	9177	19581	9491	13162	7662	8545	14753	4792	14621	18210	9683	11414	14188	16075	17461	20699	10533	20073	8577	6653	7698	3867	19042	15495	15176	18054	17091	13869	23019	17078	19294	9281	13510	11731	11962	8213	0	0	0	16282	13088	0	20562	12802	13968	13291	7237	0	13494	7842	3656	18473	13420	7801	15284	8774	10834	8737	3690	8912	10285	13172	5904	10173	10936	14243	12913	19263	7109	13193	0	12545	7407	28791	6762	6790	9792	6953	10659	5012	8093	6685	7091	11165	19391	22474	26828	6362	11967	0	16546	15598	6391	6555	8333	19723	10573	20680	0	14589	6726	0	8531	15325	Lipid	0.45	1.55	0.05
10	C19 H31 O8 N3	430.21838	430.219	0.02592958	430.2184	6612	8538	5134	6320	0	3404	3692	6080	1820	4494	0	1582	4486	0	7556	5350	3832	3008	2554	0	0	4524	3414	7302	6102	0	4072	0	8846	2986	6616	8466	8974	6476	5006	7500	7278	4172	5216	0	0	2600	0	0	0	0	0	0	6938	3462	8578	6464	2452	0	3030	2136	0	9694	0	0	0	0	0	2914	0	5360	5210	5319	0	0	0	4442	6004	5776	0	4330	0	3620	8221	0	3040	2268	1548	0	2158	2654	3252	0	4264	8550	112972	69306	9988	3212	3514	0	8636	4222	0	3000	0	8024	4780	0	0	4124	1578	0	5134	6392	Peptide	0.42105263	1.6315789	0.15789473
12	C19 H31 O8 N3	430.21838	430.21893	0.14551812	430.21844	3182	0	3067	1988	0	0	0	2231	0	0	0	1015	0	0	2338	1870	0	1235	0	0	0	0	0	2822	2497	0	0	0	4414	2178	1367	2725	1621	0	0	1803	2807	2191	2454	0	0	0	0	0	0	0	0	0	2993	0	1472	3022	0	0	0	0	0	6240	0	0	0	0	0	0	0	0	1205	0	0	0	0	1933	1728	1175	1327	1955	0	0	1327	0	0	0	0	0	0	0	0	912	1247	0	49352	24109	4130	0	0	0	0	0	0	0	974	2572	0	0	0	2902	0	0	1904	0	Peptide	0.42105263	1.6315789	0.15789473
14	C19 H31 O8 N3	430.21838	430.219	0.05902227	430.2184	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2975	0	0	0	0	0	0	2431	3769	2824	0	0	0	0	1672	0	0	1494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2062	0	0	0	0	0	4782	0	0	0	0	0	0	0	0	0	0	0	0	0	1639	1278	0	0	0	0	0	0	0	0	0	0	0	0	0	1996	0	0	0	40868	17542	2796	0	0	0	2568	0	0	0	0	0	0	0	0	1611	0	0	0	0	Peptide	0.42105263	1.6315789	0.15789473
6	C19 H31 O8 N3	430.21838	430.2191	-0.06677221	430.21835	5297	5371	4505	3124	1909	3407	4155	6819	2582	0	1166	1655	5367	1732	5129	5991	1811	3802	5135	1514	1861	6648	3265	7127	4284	0	2327	3549	7107	5479	6316	5677	6758	5138	3408	4665	9294	5570	3384	0	839	1660	0	0	0	2210	0	0	5758	3765	5554	5370	2772	0	4599	1362	1218	5650	1957	567	5815	0	3919	4784	1532	3091	3701	3722	0	0	0	5455	3518	4262	1616	4673	0	2795	2766	4454	1155	745	2228	0	2072	2016	5491	2360	4316	4455	30260	28944	10621	1864	1730	0	5064	4532	1889	1588	1761	6395	2876	4522	0	5649	2668	0	3695	5200	Peptide	0.42105263	1.6315789	0.15789473
12	C24 H31 O6 N1	430.2224	430.22293	-0.20773783	430.22232	17410	15300	22172	21596	7022	8451	15641	24557	8003	46125	29077	12365	3220	5367	9779	19651	17716	8286	13876	72869	64330	20607	16470	17477	12013	52738	11618	25708	18271	16723	19516	20122	33614	18618	58690	19618	26810	11743	22057	42355	24217	10862	499	0	0	25888	20904	0	20199	16242	23638	21147	9250	0	11751	5447	5176	19923	0	6993	15935	13912	4762	7280	5282	5364	8613	26608	41101	81284	70304	18060	15343	17077	18349	14172	0	17621	18620	16989	11517	4867	4528	23489	3969	4930	13518	6676	12073	37468	25541	7689	33627	17007	25972	0	20624	16705	4287	4505	3408	25712	10829	19249	0	18657	4391	0	13777	5982	Phytochemical	0.25	1.2916666	0.041666668
8	C24 H31 O6 N1	430.2224	430.223	-0.25313517	430.22232	24983	27792	23625	25084	9445	12188	20249	39581	10335	34084	23987	16695	8941	6014	22406	37933	29172	11167	20393	44115	41533	23521	21416	42021	23734	22993	19270	28184	31360	31174	28734	38080	38631	30378	42014	35026	38899	20211	33023	30809	17428	13095	0	0	0	23383	24693	0	42342	26482	26875	24253	9996	0	15812	3882	8618	38754	3888	2304	30123	10874	10906	8430	5335	11708	13597	38661	21492	33782	31523	30874	33554	34902	20641	32332	0	23075	24180	27141	17845	3554	8170	21641	4918	0	24930	15291	13434	38835	103443	59112	62542	19320	28894	0	30038	26329	3489	4763	2069	39193	18894	29312	0	34149	2326	0	23434	11963	Phytochemical	0.25	1.2916666	0.041666668
28	C24 H31 O6 N1	430.2224	430.22284	-0.21177727	430.22232	44008	44654	42405	44134	10333	9807	58080	76483	7559	6211	9224	35808	5761	18248	42666	173378	197305	11098	17185	4321	6970	23270	78238	117216	91693	8233	56486	6939	71050	75347	60327	103646	125842	89014	3800	98043	75283	47687	191668	5697	9680	33395	1273	0	0	16499	9169	0	81387	66345	46805	43007	20912	0	8182	3917	11235	176087	4582	10568	134256	3837	3699	8754	13665	12615	33964	224830	13269	15820	15333	34422	46274	44456	109476	65494	0	37231	96064	7608	73461	5334	8328	4957	7761	12523	141440	39910	54678	200078	16527	17168	107871	4755	8428	0	40781	43619	4557	7628	8951	145958	29162	12697	0	152253	5814	0	111251	4268	Phytochemical	0.25	1.2916666	0.041666668
6	C24 H31 O6 N1	430.2224	430.22302	-0.24551764	430.22232	10126	11856	11251	10483	1273	3195	11066	17952	1880	13867	11033	9948	1218	840	11859	16119	19548	4386	4655	18772	19820	8126	10362	17090	9639	11002	9785	5723	14473	14448	12477	16667	14201	10956	13903	18052	14707	11318	25256	13179	9965	5309	0	0	0	8320	8950	0	16579	17443	11003	11453	4123	0	2080	643	3271	13445	0	937	14152	6555	1515	1396	4023	2112	5764	30030	6918	13954	12541	11578	11223	15616	16318	12752	0	8381	11598	8567	11738	1416	1668	10378	1586	3312	9806	4945	4788	19737	11533	2995	20174	7602	17136	0	11783	10166	0	511	811	17701	7465	16274	0	11233	1675	0	11144	911	Phytochemical	0.25	1.2916666	0.041666668
24	C21 H35 O6 N1 S1	430.2258	430.22614	-0.33663845	430.22565	123780	123470	118762	109723	121725	79844	52944	108043	106973	187785	167318	53555	122384	65474	81336	127240	84123	129283	163033	245522	229255	113100	82567	113017	81690	347617	56550	157960	87824	96084	88647	103647	120027	88925	225023	100177	135387	69058	86752	157085	136439	67577	7834	7668	0	105422	92799	7106	98291	85494	115496	114729	93628	0	114244	93603	56402	109704	89943	67007	120017	109654	108510	86180	43609	116994	85250	90262	281617	370475	374269	89608	87746	90178	69291	94856	0	73833	106057	77440	81896	70223	73416	126287	109821	72136	113433	68733	91666	110990	118007	129886	152188	95246	119666	8100	111902	114860	71406	111351	111934	117940	57464	132496	73970	101910	104300	8538	82232	116298	Organosulfur	0.2857143	1.6666666	0.04761905
10	C17 H35 O11 N1	430.2283	430.22903	-0.25306734	430.22818	0	1550	1083	1625	922	0	951	1166	0	0	0	0	0	0	844	0	1057	0	0	0	0	0	0	1889	0	0	7283	8851	1223	1931	983	0	1488	0	0	1399	0	0	1548	0	3587	0	1553	659	696	0	0	0	1550	1485	0	0	0	729	0	0	577	3011	0	0	0	1647	1365	0	0	0	0	2300	0	1722	3227	0	1534	1157	1471	2022	0	0	0	6787	0	954	0	0	0	0	1033	0	0	1591	25996	0	2213	1430	0	0	2278	1185	0	0	0	0	1043	0	0	0	0	0	1333	0	Unclassified	0.64705884	2.0588236	0.05882353
10	C18 H31 O7 N5	430.2296	430.2303	0.35545218	430.22977	0	1550	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8851	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1636	0	0	0	0	0	0	0	0	0	2300	0	0	0	0	0	1157	1471	0	0	0	0	0	0	954	0	0	0	0	0	0	0	0	25996	0	0	1430	0	0	0	0	0	0	0	0	1043	0	0	0	0	0	0	0	Peptide	0.3888889	1.7222222	0.2777778
4	C18 H31 O7 N5	430.2296	430.23056	0.1888436	430.2297	608	0	0	0	0	1554	0	0	0	0	0	238	0	0	0	718	0	409	0	0	0	0	364	388	426	0	0	3263	0	0	0	0	0	0	0	0	0	379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	231	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	479	380	296	0	0	0	452	492	35988	0	0	264	0	0	0	847	0	0	1599	11278	5914	1679	1595	0	0	0	0	0	0	0	0	0	0	0	532	0	0	0	0	Peptide	0.3888889	1.7222222	0.2777778
2	C18 H31 O7 N5	430.2296	430.2304	0.012643979	430.22964	2832	2651	3346	2744	0	32413	0	751	0	0	1653	0	0	0	1466	382	573	1043	0	0	0	1803	22415	0	1027	0	0	24771	1870	540	1421	1144	759	910	0	912	716	1067	1550	0	0	0	0	0	0	2838	228	0	1358	0	3315	2706	370	0	1036	252	0	4860	0	0	675	0	0	387	0	567	538	741	0	362	0	587	927	549	381	393	0	412	3166	138670	8463	0	0	0	347	0	1909	469	1090	4352	35167	19860	6380	7546	0	0	2813	2388	825	0	0	842	761	0	0	2421	0	0	4794	1036	Peptide	0.3888889	1.7222222	0.2777778
8	C18 H31 O7 N5	430.2296	430.2304	0.19363743	430.2297	1410	0	0	0	0	1861	0	0	0	0	1105	0	0	0	1435	1556	0	0	0	0	0	0	1022	0	666	0	733	10226	0	0	0	0	0	0	0	0	0	0	860	0	0	0	0	0	0	0	0	0	0	0	893	0	0	0	0	0	0	1151	0	0	0	0	0	0	0	0	643	0	0	0	0	772	0	838	0	1075	0	0	0	7761	0	0	0	0	0	0	0	0	0	0	22496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3888889	1.7222222	0.2777778
8	C21 H35 O8 N1	430.24353	430.2441	-0.22991598	430.24344	6053	7367	3847	3350	1181	2359	5846	5978	2133	4722	2366	3864	3253	1328	19910	8235	4696	2392	1982	6615	5294	6140	3326	7019	72320	38232	5103	37622	6716	4372	5948	7566	5911	4920	4000	6933	8150	6776	3739	2355	1100	2153	0	0	0	2834	3697	0	7781	6197	4276	6189	2449	300	3642	1774	1220	8005	1418	898	5945	10339	2363	1871	22385	1765	1973	4581	63187	7798	2896	3790	5422	6234	5630	6085	0	3664	3749	45108	2979	2135	1488	3402	1362	0	4388	1230	2944	5032	11453	8220	18696	2177	2980	0	3745	5635	899	1369	0	7740	4116	5646	7586	5497	0	0	3599	2484	Lipid	0.3809524	1.6666666	0.04761905
10	C21 H35 O8 N1	430.24353	430.24414	-0.160985	430.24347	21607	20590	22810	23192	2724	3577	154140	10183	1031	10227	96391	11769	4657	14198	8547	12086	4983	3477	3848	6508	5355	6695	12487	5694	11186	3373	477426	154657	8914	7645	8886	8998	6750	5774	10984	7791	11761	64032	5396	3501	2404	2848	0	0	0	2610	86903	0	9234	6810	20600	22512	2876	0	3041	12986	10703	12037	2874	1789	12997	159847	6864	1888	265763	1911	4062	14796	110666	120320	246385	8673	6944	9384	11126	9630	0	6079	6692	9599	15430	51461	6475	4947	2859	2011	8780	5611	2167	68393	19297	17761	33542	48985	38941	0	23069	23194	22087	1724	2519	8332	11527	6431	70130	5906	2099	0	11160	4280	Lipid	0.3809524	1.6666666	0.04761905
14	C21 H35 O8 N1	430.24353	430.24402	-0.26267	430.24344	12055	9830	11532	10611	6980	8758	18227	26592	7764	8660	3956	11185	13977	8191	20971	20665	22767	11491	20830	17708	13039	13228	18526	20207	20010	8414	12551	0	24782	26098	17072	15859	21045	14444	7965	28660	17155	16471	22488	8023	7098	12003	0	0	0	15588	6877	0	20390	13251	12785	12563	8909	0	14031	10628	8095	17719	8806	7421	0	5587	9069	6611	7054	12339	9374	18637	0	8049	4739	14761	19489	24621	23319	17591	0	14731	16999	0	14215	8190	13878	9527	15173	11894	21357	6110	8607	17678	18979	15726	28377	5185	7839	0	11972	15059	5797	15489	17993	23682	10588	15369	0	18620	12918	0	12618	10986	Lipid	0.3809524	1.6666666	0.04761905
18	C25 H35 O5 N1	430.2588	430.25922	-0.28929216	430.25867	3425	4624	6558	5392	2240	0	3847	3162	0	4166	5847	4466	2022	1378	3319	6031	9094	0	3216	6631	6141	5677	5325	4625	5788	12148	6917	6395	8196	6058	5204	6136	10382	4641	0	7861	6260	4034	13477	5224	7026	4119	0	0	0	5444	5205	0	10442	5784	6232	4391	1291	0	0	1237	1364	7164	1494	5799	3943	3009	0	1281	1369	2726	2188	13918	7704	11144	13518	3649	3545	3399	8666	0	0	3024	5256	4231	3550	2963	0	3949	1353	0	2539	4299	2243	36588	5869	0	14163	2708	2980	0	5388	5432	1214	1753	0	8613	3311	3214	2289	8815	1556	0	4146	1844	Lipid	0.2	1.4	0.04
12	C25 H35 O5 N1	430.2588	430.2593	-0.18964802	430.25873	8490	7173	5860	7895	1295	2921	5982	14008	0	7224	9043	8347	0	2080	10475	10817	10942	0	2462	21043	15698	0	7078	12382	6125	9891	5316	0	14215	13554	8725	12464	20761	12156	10401	14256	17579	8135	7656	8232	0	4160	0	0	0	4449	4275	0	10811	11136	11200	7915	3186	0	0	0	1884	12282	0	0	0	1846	0	0	2123	0	4605	16980	0	13958	14870	12319	11018	9983	11301	11275	0	9799	4155	0	5295	0	0	7174	0	0	4254	3870	5810	31175	8203	0	20762	4257	10912	0	6585	12989	0	0	0	15697	7454	5974	0	14672	0	0	4292	1353	Lipid	0.2	1.4	0.04
20	C25 H35 O5 N1	430.2588	430.25922	-0.2676429	430.2587	12966	15493	8536	12214	7622	1865	6466	12022	7026	13606	14755	9843	3150	4943	8740	18867	24123	5211	4400	13690	16574	9815	3597	12266	7604	33387	14089	12731	12627	14054	14040	15976	20381	9580	10911	17477	17836	7860	24870	10705	21181	8410	0	602	0	5732	13193	505	15930	15527	13200	12130	4611	0	4855	4239	7684	18948	6070	15035	14243	6972	2706	4325	3162	4083	5447	32791	20603	17705	42924	8639	10377	13985	21310	8476	0	10108	11100	9806	8405	4906	8990	0	7711	6756	17868	9217	6482	54294	20485	12735	30551	9767	11967	0	13431	14365	3762	4810	5484	18261	9451	12728	5366	17032	5009	0	10769	3947	Lipid	0.2	1.4	0.04
10	C25 H35 O5 N1	430.2588	430.2593	-0.21909226	430.2587	8224	9649	9299	7877	825	3908	7520	13180	0	10314	5785	11580	0	0	8934	13449	14276	0	2083	14936	10900	2714	6348	14616	6911	8784	8635	5886	12533	14388	11867	10892	22748	12242	8537	13395	22994	6565	14816	6244	0	5923	0	0	0	2788	2470	0	16009	10440	9933	5650	2147	0	1649	0	2071	13450	0	0	8850	1422	0	0	2074	0	4131	20632	0	10698	7424	8382	10119	15009	14256	10516	0	8902	5889	0	6375	0	0	4742	0	1116	6324	4213	6355	28463	10058	0	24333	4756	11269	0	9142	8981	0	0	0	20308	9790	7678	0	12098	0	0	5210	0	Lipid	0.2	1.4	0.04
14	C25 H35 O5 N1	430.2588	430.25928	-0.2078228	430.2587	6041	4778	3406	9093	0	0	7242	7811	0	6374	8769	5073	0	0	9308	6749	7980	0	0	9147	15257	0	2836	8811	5999	14005	9766	7413	8268	10684	9160	8810	12710	6063	10389	8680	15761	4833	7574	6688	0	3951	0	0	0	3161	0	0	12250	8772	4555	5254	1697	0	0	0	1573	8473	0	0	0	0	0	0	1147	1241	2615	14469	0	18644	8668	8846	10070	8709	11019	7490	0	9751	3707	0	3266	0	0	3157	0	0	4428	4687	3211	42359	11715	0	30858	3024	7807	0	3622	5758	0	0	0	13586	5584	5755	39123	9378	0	0	3440	0	Lipid	0.2	1.4	0.04
12	C18 H39 O10 N1	430.26468	430.26523	-0.18565713	430.2646	29982	59556	38850	40388	12575	11080	50981	9610	12010	31370	76869	8670	6040	8373	8384	38273	34268	7042	5900	56479	13234	38483	7071	51465	6759	11029	121191	341449	6707	21429	6265	8145	11829	8459	12231	6583	6951	14931	23451	34572	114973	7792	22900	17226	13242	67090	246671	20409	9188	8968	30140	49161	10460	15940	6151	7857	14385	11531	63567	193484	443967	99878	22875	9754	10114	26619	15202	29562	690320	66941	412532	5865	6117	5437	26197	5609	12350	10841	9132	512442	10731	23485	8031	7707	7908	11563	9520	9232	10841	77275	214939	38647	6777	70072	344695	21909	27295	47302	25794	10771	9465	29092	9537	257372	246044	9273	6578	19815	9342	14177	Lipid	0.5555556	2.1666667	0.055555556
10	C18 H39 O10 N1	430.26468	430.2653	-0.23047903	430.2646	6757	8860	6802	8431	0	0	1113	0	0	27493	41062	0	0	0	0	2094	0	0	0	6890	1373	3971	0	0	0	0	6618	17583	0	0	0	0	0	0	4884	0	0	0	0	18762	9647	0	570	0	345	16966	37155	532	0	0	6701	6293	0	485	0	0	0	2010	87100	4191	34485	38650	1659	0	0	0	0	0	12556	6611	30618	0	0	0	2240	0	0	0	0	49324	0	600	0	0	0	0	0	0	0	1422	42457	9977	0	12616	22493	0	5527	6933	0	0	0	0	897	7930	751885	0	0	530	0	0	Lipid	0.5555556	2.1666667	0.055555556
14	C18 H39 O10 N1	430.26468	430.26517	-0.21069054	430.2646	1339650	1322008	1476426	1372716	112352	98946	135960	91286	75876	3571754	9058448	88586	107002	107912	95450	64330	118460	99684	53424	181608	127376	163846	82324	101810	73044	86094	357990	575586	67454	120640	74846	64310	89970	59722	126282	83808	77864	111954	111858	1419450	597536	86680	218298	194356	147648	1385574	1145926	187796	62488	85078	1459840	1393750	100814	201624	77590	88078	95548	135956	13716868	335692	739890	4272426	332668	92310	152712	163058	156210	164736	471262	238702	394532	122324	66292	93148	67658	84516	178868	104130	77720	968378	83482	132720	68974	113912	81028	127736	72918	126880	89174	130810	201248	141676	126912	518038	208518	170406	1426976	1078416	115764	86632	96580	121632	96694	509876	169079157	85230	73338	203958	73302	130658	Lipid	0.5555556	2.1666667	0.055555556
6	C19 H35 O6 N5	430.26602	430.26657	-0.2788937	430.2659	3088	4025	3696	3687	0	6831	0	0	0	0	3622	0	0	0	0	1077	0	0	0	0	0	0	0	0	0	0	0	186403	0	0	0	0	1022	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3312	1995	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	234664	0	0	0	0	0	0	0	0	0	0	221239	98222	0	15317	2051	0	2392	2572	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.31578946	1.8421053	0.2631579
4	C19 H35 O6 N5	430.26602	430.26663	-0.15703234	430.26593	1069	1924	1561	1247	0	3976	0	0	0	0	0	0	0	0	292	762	0	0	0	0	0	0	0	0	252	0	0	39043	0	0	0	0	924	0	0	0	0	0	0	0	0	534	0	0	0	0	0	0	0	0	1238	1444	0	0	0	0	0	0	0	0	0	0	0	0	0	371	0	0	0	0	0	0	0	0	0	0	0	0	0	121863	0	0	0	0	0	274	0	0	0	0	104095	47622	899	4352	0	0	1051	1195	563	0	0	0	467	0	0	0	0	0	0	987	Peptide	0.31578946	1.8421053	0.2631579
2	C19 H35 O6 N5	430.26602	430.2665	0.019888952	430.26602	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	388	0	0	0	0	0	0	0	0	0	0	51238	0	0	0	0	914	0	0	0	562	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49461	0	0	0	0	0	354	0	471	0	0	7144	4306	0	2219	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.31578946	1.8421053	0.2631579
8	C19 H35 O6 N5	430.26602	430.2666	-0.112165645	430.26596	2191	2752	0	2156	0	1757	0	0	0	0	1916	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	78889	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2232	1563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	182710	0	0	0	0	0	0	0	0	0	0	282034	85436	3062	16243	0	0	2132	1101	944	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.31578946	1.8421053	0.2631579
26	C22 H39 O7 N1	430.27994	430.28012	-0.2708048	430.27982	5650	5031	3227	4109	3726	2907	23176	0	2725	1956	3040	0	7414	5605	0	0	0	6482	12851	0	0	3123	0	0	0	0	16742	14408	5990	0	5418	4916	5168	5885	3581	0	10848	0	0	0	0	0	0	0	0	0	0	0	6930	0	3276	3422	3494	0	4539	0	0	3325	11618	0	0	4384	12233	3410	4948	11917	11941	3061	0	0	0	3142	0	0	0	5579	0	0	0	6455	0	3934	7570	4430	0	0	3919	2590	5499	2267	44034	38582	5130	0	0	0	4456	6788	2926	1898	0	7028	0	0	31064	3035	0	0	0	7584	Lipid	0.3181818	1.7727273	0.045454547
22	C22 H39 O7 N1	430.27994	430.28033	-0.27188897	430.27982	9727	7625	8933	9712	7833	6157	104841	6437	3433	3771	3346	2445	8702	18039	8613	3275	7063	11679	11138	2944	2516	2314	4908	4402	5554	10225	66728	10035	12802	9679	7550	10774	12019	10741	3152	12200	12460	6125	9728	1489	1710	6319	4191	0	0	4190	1858	0	10493	5763	8171	9282	5955	410	7916	4698	7276	11973	5747	3575	8213	0	8290	5490	9408	14141	20729	9579	0	0	0	6346	7836	11232	9536	7258	0	3979	6814	9546	2573	1886	67049	41519	4688	7341	8188	7935	11371	6494	25630	15417	3330	3922	5216	0	8892	8928	3433	4440	4820	13488	4030	7987	13375	6174	5399	0	4355	9088	Lipid	0.3181818	1.7727273	0.045454547
14	C26 H39 O4 N1	430.2952	430.2956	-0.20908183	430.2951	0	1445	0	0	0	0	0	0	0	0	0	2075	0	0	0	3277	0	0	0	0	0	0	0	0	1992	0	1662	0	2042	5931	2976	0	2765	0	0	2775	3235	0	0	0	0	0	0	0	0	0	0	0	1938	1832	0	0	0	0	0	0	0	3009	0	0	0	0	0	0	0	0	0	0	0	0	0	2438	2626	3546	2667	2790	0	1973	0	0	0	0	0	0	0	0	0	0	0	25233	0	0	9576	0	2562	0	0	0	0	0	0	3493	1568	0	0	4285	0	0	1095	0	Lipid	0.15384616	1.5	0.038461536
12	C26 H39 O4 N1	430.2952	430.29572	-0.18582968	430.2951	4063	1868	3001	3647	0	0	0	3335	0	0	0	3843	0	0	3807	8061	3209	0	2965	1579	0	0	2454	3680	3619	0	0	0	5860	4195	6218	7108	8142	4082	0	4002	10785	1860	0	0	0	1597	0	0	0	0	0	0	10142	2856	4886	3888	2472	0	0	0	0	4563	0	0	0	0	0	0	0	0	1428	7369	0	0	0	3251	2347	4565	11197	5812	0	4480	0	0	1368	0	0	0	0	0	0	3315	4014	208509	0	0	45836	0	0	0	2765	3296	0	0	0	8717	2284	0	0	24297	0	0	1440	0	Lipid	0.15384616	1.5	0.038461536
6	C20 H39 O5 N5	430.3024	430.30286	-0.21537161	430.3023	0	0	539	0	0	502	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13026	0	0	0	0	0	0	0	0	0	0	35245	0	0	1399	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.95	0.25
2	C20 H39 O5 N5	430.3024	430.30273	-0.38100916	430.30225	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15421	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91685	0	0	0	0	0	0	0	0	0	0	43241	4184	0	1271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.95	0.25
4	C20 H39 O5 N5	430.3024	430.3029	-0.18907471	430.3023	0	0	0	0	0	1220	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3945	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29724	0	0	0	0	0	0	0	0	0	0	37176	3144	0	1383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.95	0.25
24	C23 H43 O6 N1	430.3163	430.3165	-0.27294928	430.3162	1054	1060	1543	2245	986	1315	83355	0	0	0	0	0	0	11587	0	0	0	0	0	0	0	0	0	0	0	6696	60669	4243	1178	0	0	1299	0	0	0	0	0	0	0	0	0	2129	0	0	0	0	0	0	1237	0	1234	1126	0	0	0	0	1875	0	887	0	1495	0	1710	0	11170	0	5450	0	0	0	0	0	0	0	0	0	0	0	0	1633	0	743	17911	13027	1595	0	0	1139	0	0	4460	3180	0	0	0	0	1372	1486	1080	0	2094	0	0	0	1348	0	4093	0	0	0	Lipid	0.26086956	1.8695652	0.04347826
26	C23 H43 O6 N1	430.3163	430.31638	-0.3849151	430.31616	0	0	0	0	0	0	81171	0	0	0	2995	0	0	15871	0	0	0	0	0	0	0	0	0	0	0	0	53643	10226	0	0	0	0	3281	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2433	0	0	0	0	0	0	0	0	0	3206	0	0	2790	2585	0	9063	4992	0	0	0	0	0	0	0	0	0	0	0	0	0	6074	0	0	12109	6430	0	8272	0	0	0	1624	10378	10838	0	0	0	0	0	0	0	0	0	0	0	0	7684	0	0	0	0	4527	Lipid	0.26086956	1.8695652	0.04347826
26	C19 H10 O12	431.0245	431.0248	-0.1827549	431.0244	3014	3432	3879	3971	9934	6992	1610	0	9037	0	0	2980	22126	8834	0	0	0	24516	23468	0	0	2307	5080	0	0	0	1748	0	0	0	0	0	2803	0	1392	0	2140	3061	0	0	0	0	0	0	0	0	0	0	0	0	5426	3717	9288	0	15914	8979	4114	1968	0	0	0	0	27089	12524	3419	16267	2723	0	0	0	0	0	0	0	0	0	0	0	6915	0	9035	0	0	0	21091	8581	6840	5840	6286	1519	0	0	0	0	0	0	7437	6589	6422	8594	13106	0	0	0	0	2226	6173	0	0	22973	Phytochemical	0.6315789	0.5263158	0.0
28	C19 H10 O12	431.0245	431.0249	-0.15011573	431.02444	6258	6185	3732	6528	13344	6710	1035	0	11872	0	0	2866	24539	7438	3222	2578	0	21912	21959	0	0	2318	6061	2036	0	0	1864	0	0	0	1540	0	3019	0	1204	0	2554	3969	1324	0	1132	2770	0	0	0	0	0	2080	0	0	4775	6150	9805	0	15894	9165	3694	1193	0	0	2857	0	26954	13557	5038	16456	4071	2695	0	0	1081	0	0	0	0	0	0	2101	10988	0	10724	0	0	0	26201	9419	8938	6002	5562	2787	0	0	2245	1417	0	0	4463	5258	9307	15394	17252	2858	0	0	0	1317	11528	0	2070	22785	Phytochemical	0.6315789	0.5263158	0.0
10	C20 H14 O11	431.06088	431.06158	-0.061904404	431.06085	1497	2312	2731	2864	10621	4647	0	0	15775	2720	7639	0	11322	0	875	0	0	3912	4767	6139	7437	8523	1884	0	0	0	0	0	0	0	0	0	0	0	10504	0	0	0	0	0	5092	1041	0	0	0	0	6151	0	0	0	3195	1953	5483	0	4419	10054	2048	0	0	0	0	0	23184	10161	2463	10659	2101	0	0	1323	0	0	0	0	0	0	0	0	0	0	4833	900	0	0	14807	3218	1055	3070	2147	0	0	0	0	19451	10439	0	1383	3578	8423	15856	12205	0	0	0	0	0	8936	0	0	12954	Phytochemical	0.55	0.7	0.0
14	C20 H14 O11	431.06088	431.06143	-0.17675547	431.06082	17950	18610	17344	19480	36740	13341	0	1495	44789	23350	25039	6154	55365	13564	4198	3514	2041	33351	34805	17573	23751	55717	10115	0	1273	1833	2239	0	2441	1720	1611	0	4863	1225	34511	0	4495	5917	2160	9207	22368	11751	0	0	0	11803	29439	0	1695	1232	17091	18399	21977	0	38708	33689	16474	2847	0	8564	0	11368	74154	44262	12168	44757	13245	4023	0	2190	10519	0	0	0	2156	1887	0	3202	16764	34701	14965	16797	0	3338	40710	13781	12346	12995	13241	9119	0	5411	8338	63500	36019	0	23026	10661	40438	55110	44238	3887	2679	2236	17521	6116	34606	0	2938	49776	Phytochemical	0.55	0.7	0.0
22	C20 H14 O11	431.06088	431.0614	-0.12724385	431.06082	9190	11167	10661	8894	29199	18334	1963	1827	28463	6653	3129	1388	44445	14669	6973	2667	2023	38437	27919	6413	9197	23597	10596	2780	3231	1716	1834	0	1368	1158	2094	0	3272	1186	11720	1437	4428	8251	2184	4833	6638	4649	0	0	659	4788	7771	0	0	1651	10306	10492	16217	496	34205	25639	11776	3265	2395	0	3382	4894	52876	26171	9227	39491	8956	2021	2539	3962	7650	0	1014	0	1309	1684	560	3762	20519	9378	18844	10366	1089	2180	46563	23078	15560	8608	9397	3439	0	3859	2392	26482	18134	0	8440	6538	18939	38355	41048	2653	2187	1964	8447	3011	23208	0	4978	53237	Phytochemical	0.55	0.7	0.0
26	C20 H14 O11	431.06088	431.0613	-0.18264164	431.06082	8233	8168	7245	7597	18447	10508	2265	0	22132	6121	0	0	45319	10911	6399	0	0	42562	27510	0	5100	12376	8417	0	0	0	2884	0	0	0	0	0	2764	0	7960	0	3697	6365	0	2958	3530	0	0	0	0	0	0	0	0	0	8267	8412	12311	0	27074	21214	8046	1736	0	0	0	0	40498	22837	3849	22394	7243	2151	0	0	2197	0	0	0	0	0	0	0	14399	6826	11894	0	0	0	32193	17438	9196	4936	7591	3140	2307	0	4775	10660	17479	0	9665	9663	11958	23680	25112	0	0	0	0	2191	13292	0	0	47400	Phytochemical	0.55	0.7	0.0
12	C20 H14 O11	431.06088	431.0615	-0.08036481	431.06085	9303	5533	3943	8333	19012	6550	2671	0	19638	10710	17785	2351	23823	4744	2746	2066	1938	12045	15606	8742	12703	25807	4536	0	0	0	0	0	0	0	0	0	0	0	18274	973	3143	2591	1791	3660	14206	3199	0	0	0	4384	14274	0	0	0	7729	6074	10508	0	14785	17369	7528	2199	0	0	0	6940	42033	18950	5697	22872	4335	0	0	1952	3124	0	0	0	0	0	0	1728	9380	0	6042	7375	944	1267	24217	7549	5784	4675	6308	5365	0	3413	2295	29786	19855	0	7829	6403	21751	27828	24158	3898	3379	0	0	3111	17807	0	1117	27490	Phytochemical	0.55	0.7	0.0
28	C20 H14 O11	431.06088	431.06128	-0.18115045	431.06082	7880	8497	9328	8028	23282	11152	3070	0	20814	6385	1363	2069	36546	10607	6420	2734	0	31849	31155	3206	4737	11460	6965	4415	4674	0	2500	0	0	0	1667	0	3270	0	10600	0	3442	5190	2290	2791	3933	3336	2183	0	0	2861	6829	1288	1487	0	8744	8941	12389	0	26913	18692	4844	2838	1412	1912	3048	2101	37658	19301	5243	25754	6252	1620	0	3295	3233	0	0	0	0	1115	0	1657	15199	6052	14307	2931	0	1408	29711	10734	11109	5691	6743	3822	1645	3229	4418	10361	16694	0	10013	7814	12343	19258	25074	3386	2646	2330	3559	2963	18969	0	2118	34168	Phytochemical	0.55	0.7	0.0
20	C20 H14 O11	431.06088	431.0613	-0.21192941	431.0608	13964	15330	19105	12867	42325	20908	4071	2728	38511	17666	6517	3645	81602	16798	13047	3529	2596	42974	41463	4901	16138	36878	13384	6266	3942	1995	3387	4033	1823	1563	0	0	5808	1252	22519	0	5623	8060	2191	5659	9391	10484	1336	0	0	10596	21698	1365	2308	0	18058	14038	29120	350	38640	41481	18338	5388	5781	3975	3516	10733	71630	42177	17280	49687	14052	3360	6439	5235	5572	1324	0	0	1398	0	715	4695	27461	16664	21730	12231	1930	0	60770	22969	16996	10119	12732	7374	2984	3580	3980	39454	30499	877	18439	15754	29309	58849	53869	5592	4418	9453	12824	3996	41100	0	5200	73044	Phytochemical	0.55	0.7	0.0
24	C20 H14 O11	431.06088	431.06134	-0.10298958	431.06085	8119	10016	7230	7572	21808	13332	2562	0	21649	8054	2038	3384	46098	11166	4762	3573	0	33087	22866	2281	5441	12628	8103	2094	3438	1465	3657	1422	1345	0	1388	0	1977	0	12522	0	4213	3380	2094	3942	4286	5586	0	0	0	7625	7710	0	0	0	8640	8224	14030	0	30554	22644	9971	1582	1680	2431	2176	2661	47230	29557	6839	30017	5014	2368	0	1431	2330	862	1180	0	0	0	0	2183	15761	6319	16136	6525	0	1640	37769	14116	10324	6908	4767	3122	0	1945	3297	13837	19080	0	10069	7764	16152	26781	27000	1835	3427	1500	3304	2059	18517	0	3618	41498	Phytochemical	0.55	0.7	0.0
18	C20 H14 O11	431.06088	431.06137	-0.16639265	431.06082	19445	19797	22103	19867	48951	21552	4883	3862	51020	22787	13864	6817	86535	22754	5940	5404	4917	63847	56873	15114	25883	50051	18044	4659	2559	4282	4976	5895	0	1811	3441	0	6949	0	32964	0	9974	10446	1933	15265	24140	12513	1258	0	0	16703	25036	1251	3029	4502	28521	18261	29165	0	50998	52497	24531	5004	8232	7384	8293	14898	104752	52310	17425	64250	21479	4798	4353	2606	10237	2958	0	0	2665	0	452	6105	25093	32457	20510	23629	3756	3205	73218	32707	20981	18227	15537	5628	6441	7131	9778	59967	43290	0	26823	19326	39470	61721	61219	8293	7353	4172	17046	6884	41746	0	5717	82804	Phytochemical	0.55	0.7	0.0
16	C20 H14 O11	431.06088	431.06137	-0.17918393	431.06082	31499	16443	23254	26889	49191	27541	4086	1551	65093	33671	30119	5109	103810	17922	9554	9925	3001	54257	67343	25524	33253	63645	17834	5284	2075	3386	3627	4807	3122	0	0	3506	5742	0	64016	0	7262	10735	4630	18689	30620	7514	1079	347	0	17565	42053	756	2893	1690	18271	27075	42586	0	49477	48709	19108	7016	6170	7210	7494	21202	95208	57414	17176	67408	26922	4327	7762	6351	11726	2576	0	0	2109	2064	0	5512	24489	45722	20977	28119	5662	5777	70188	26607	27884	16135	19469	0	3796	17299	0	96716	67317	0	21459	20558	46521	72084	62197	5124	4827	5829	30392	0	51371	0	6249	107419	Phytochemical	0.55	0.7	0.0
14	C19 H14 O10 N2	431.0721	431.07275	-0.09533484	431.07208	7840	3352	2422	1441	8288	0	0	0	14042	6226	6119	0	20298	2085	0	0	0	7504	10744	3471	15783	12706	0	0	0	0	0	0	0	0	0	0	0	0	9586	0	0	0	0	6342	13250	2137	0	0	0	3109	14456	0	0	0	4149	3083	3901	0	8493	8597	1904	0	0	0	0	8126	29364	6819	1669	7969	2420	6004	0	0	3656	1005	0	0	0	0	0	0	3082	0	2463	5006	0	1068	5826	0	4064	8149	0	0	0	0	9695	18273	11167	0	2229	3584	9554	8444	6594	0	1432	0	0	5583	3078	0	0	11656	Phytochemical	0.5263158	0.7368421	0.10526316
16	C19 H14 O10 N2	431.0721	431.07275	0.004659145	431.0721	3558	2461	3267	6216	7468	2640	0	1826	7888	3323	4073	1882	13078	0	0	0	1525	5337	6282	2471	8395	17551	2258	0	0	1549	0	0	0	1524	0	0	3180	0	8939	0	2342	948	2211	6228	12961	1221	0	0	0	4974	12220	0	0	0	3769	3886	2573	0	6215	3706	3977	2186	1689	1528	0	6209	18734	8903	2692	4937	0	2275	0	0	3773	0	0	0	0	0	0	0	3205	9811	1692	6106	0	3116	4906	1357	2156	3451	2187	0	0	2192	0	21248	8468	0	3727	0	3053	8003	6942	0	0	0	7331	0	2416	0	1309	7586	Phytochemical	0.5263158	0.7368421	0.10526316
14	C17 H18 O13	431.08203	431.08258	0.011199298	431.08203	4685	4355	6070	6656	12573	8796	0	0	25080	0	0	2708	36041	9110	2237	0	0	16968	20900	3966	6004	11296	9323	0	0	0	1258	0	0	0	1118	0	6163	0	0	0	2176	1279	0	0	5014	4959	0	0	0	0	5502	0	0	0	6832	4163	10349	0	26462	17947	6035	0	0	0	0	0	44655	35227	6779	16388	10637	3079	0	0	2622	1231	0	0	1996	1425	0	5311	2808	0	2636	2775	0	1133	12791	6334	2127	7655	6999	0	0	0	3276	0	3127	0	6014	7864	13517	15723	14056	7211	2393	0	0	2272	9633	0	1826	41478	Phytochemical	0.7647059	1.0588236	0.0
8	C17 H18 O13	431.08203	431.0827	-0.003968927	431.082	10158	9567	4206	9717	23790	8547	2076	0	31995	5751	3627	4020	52878	6306	5832	0	3276	17517	22611	0	6408	10590	8793	3198	0	2763	2793	0	2844	0	2907	0	2859	0	8229	2631	3393	5160	0	0	3885	4461	0	981	1452	0	0	0	3684	3150	4527	10542	13548	843	25062	38361	12324	5469	0	3918	0	0	59532	24306	5508	35430	9306	0	0	0	0	0	0	0	2724	0	1209	0	7818	0	5427	0	2352	0	37299	0	3600	8940	9108	0	0	0	0	11172	6888	0	12912	8193	27582	57978	43422	6420	6666	0	0	0	20685	1461	3006	57849	Phytochemical	0.7647059	1.0588236	0.0
12	C21 H18 O10	431.09726	431.09784	-0.16304773	431.0972	58155	60189	48078	56868	53100	30996	17077	18627	61357	147942	115648	19701	61205	23644	19303	28056	18226	55145	59018	98192	100462	109076	35603	28666	12009	56844	16628	50519	15227	14721	16099	14280	22273	16764	178116	14296	23883	24625	24624	60954	119714	21732	858	0	0	86046	124333	0	19618	18780	56799	48421	33521	0	55559	42777	29090	28107	19587	24338	24678	59968	92231	51100	21706	60038	27646	26385	93831	79229	133318	14852	11091	11927	20072	13837	0	24429	47103	56347	34429	67503	16442	35773	60142	28792	41976	22055	21683	41486	22600	28207	31760	111174	104033	0	57044	59034	69522	63106	55417	26514	12815	23591	89948	21414	46898	0	17298	74617	Phytochemical	0.47619048	0.85714287	0.0
16	C21 H18 O10	431.09726	431.09778	-0.14467855	431.0972	123038	134201	105249	121044	147718	83308	32523	35929	171796	347477	185498	37010	229879	77974	54321	43214	27796	194880	180183	221001	219188	231584	65586	59606	36964	138139	35282	112746	26453	27782	37234	33198	54697	31529	434732	28857	59082	46394	31332	147676	144888	55844	4481	0	381	169806	206649	1343	36718	28757	121488	111147	90368	676	142549	130555	65532	65298	45473	31986	59183	115310	232125	134970	51171	167303	77141	37074	147796	181284	199603	32582	27120	18132	27744	28837	0	31899	104010	168177	72776	170230	32297	100206	161019	78240	96689	57596	73672	63891	63399	85857	68645	215416	282891	977	121765	110446	138144	139793	136675	50239	33613	47233	130568	46129	129138	639	42285	219763	Phytochemical	0.47619048	0.85714287	0.0
10	C21 H18 O10	431.09726	431.09787	-0.10513707	431.09723	25360	28350	19537	21023	26220	13682	9908	11151	29829	67188	51431	10673	31185	10023	9813	13117	9165	22281	25439	35845	51153	43183	15123	16380	3247	25916	6370	18549	5913	7717	6408	7353	12653	7907	80002	5232	9182	9032	10690	28966	44552	9635	0	0	0	30162	59493	0	8665	7801	24015	25386	15977	0	24299	23285	13565	13025	8311	12189	13718	24620	37032	23316	10669	28326	11354	14380	45317	44418	67377	11777	8564	4498	10789	8210	0	6935	23501	24826	17996	25185	5796	13440	31554	14696	18131	14454	11959	14466	6545	12829	15970	40375	42085	0	25748	22987	28309	31989	29252	12012	9056	14818	26232	8438	23896	0	9884	39009	Phytochemical	0.47619048	0.85714287	0.0
26	C21 H18 O10	431.09726	431.09772	-0.18460956	431.0972	9085	11150	10080	9119	21863	12512	0	0	24743	31147	7187	3330	44542	9793	8125	0	0	29877	22426	14683	14308	22198	10493	0	0	8433	2790	5184	0	0	0	0	2982	0	34961	0	6072	5542	0	6601	9764	0	0	0	0	9380	14873	0	0	0	13912	12231	10757	0	30938	20988	5903	0	3277	0	4292	7136	40430	21621	5776	26740	4484	0	10403	17112	18054	0	0	0	0	0	0	0	13655	13447	14451	10195	0	7198	26987	9127	10291	5860	5700	1346	5072	4955	0	18094	42271	0	12468	12671	14926	20702	21512	0	3148	0	7610	2727	18362	0	4214	41272	Phytochemical	0.47619048	0.85714287	0.0
24	C21 H18 O10	431.09726	431.0977	-0.15587229	431.0972	18143	15359	18866	19960	33703	18300	2655	3276	31615	50317	9387	3498	65028	17426	7740	3924	2121	37257	34573	19919	21429	40652	15065	8335	5562	14096	2776	7773	3185	0	1258	2292	5525	1830	57923	2188	5480	6426	3437	14634	14471	5566	0	0	0	22111	30147	0	1957	0	18798	16306	20281	0	38970	34096	11878	4370	4962	3277	5690	16266	56822	33356	12577	37010	11333	1824	18255	25536	31280	2724	1041	1195	1442	1665	0	4764	24327	20632	19893	20892	2733	9040	45196	17717	17212	5146	11321	5794	9908	8381	8460	34544	64637	0	21160	15661	25167	36827	30147	5052	3671	6563	15013	3138	25271	0	6269	56740	Phytochemical	0.47619048	0.85714287	0.0
22	C21 H18 O10	431.09726	431.09772	-0.16778778	431.0972	30099	32678	32247	33935	56696	29850	7496	5517	58038	84304	29626	7639	73836	26456	18762	12382	4611	67521	55557	38952	53722	66032	22162	10120	10172	32598	5424	17367	4767	2602	5562	6031	10966	5557	84530	3991	12402	13957	5964	30291	27872	12045	3140	0	653	43514	57192	0	8410	6259	34972	29901	34671	1103	68463	58169	24745	14453	11541	9873	11233	28861	104008	53183	21137	72755	26509	5849	32630	56698	52346	4208	4894	1110	3058	2882	912	6146	34567	39092	30329	44724	6885	23045	78527	38675	27886	15620	17287	7254	15189	17805	10038	75668	91001	0	29174	28410	53456	65883	61554	10807	8851	8874	38114	10862	52797	0	11971	95709	Phytochemical	0.47619048	0.85714287	0.0
18	C21 H18 O10	431.09726	431.09775	-0.15215383	431.0972	111588	112733	102621	94360	146170	96490	33722	33060	151005	318018	149234	27678	258632	72857	49146	46606	22782	194614	193065	222355	187019	214182	61639	41157	35828	111111	32317	94592	31299	15299	34942	24906	49357	22632	387947	20858	57554	46556	27949	142966	110885	41452	3928	613	537	164365	166684	1434	40351	24761	115857	104658	100124	636	173580	131965	69019	44005	44573	28926	41489	106896	253701	144745	62126	186699	73848	23131	117832	147973	165075	23409	16722	13297	14630	21607	971	32077	99052	122734	66293	151650	31726	78541	165761	90722	79509	50085	61601	29771	59969	86347	50749	183501	246723	1470	110896	101322	138381	149069	138923	41463	24801	53275	110530	31404	108330	688	36983	223926	Phytochemical	0.47619048	0.85714287	0.0
8	C21 H18 O10	431.09726	431.09793	-0.09225048	431.09723	7423	5886	5949	9821	8861	3423	2550	2551	11161	22606	15979	3317	10498	2628	2260	5999	3266	6918	10354	12399	18055	12001	6482	4445	984	6338	2472	5035	1374	2062	2578	2510	4487	2386	30320	1676	3057	3305	7048	10159	15987	3497	0	0	0	10438	19451	0	2381	2918	8406	8700	6798	0	10398	10368	5621	3114	2518	5112	4257	4655	15496	9619	5014	10465	4073	6220	14685	13223	20940	1137	2164	1819	3020	3665	0	2638	9022	4142	6454	8265	2229	4316	13740	5796	5862	3999	5059	5017	0	0	4901	15247	8082	0	7562	7477	13701	13302	12031	3548	2785	3576	8238	3863	13496	0	1959	14601	Phytochemical	0.47619048	0.85714287	0.0
14	C21 H18 O10	431.09726	431.09784	-0.13781886	431.09723	89811	94707	85345	91174	101166	60797	28158	32098	115938	277845	177015	30357	135698	53698	38276	54403	27300	130581	105490	170463	183560	207651	51589	44595	25873	112573	32849	104502	21298	27047	22278	27543	37748	25001	353875	24459	37737	35391	30065	112065	143790	40132	0	0	340	125244	208149	697	36272	31089	89275	88958	64010	354	110993	83414	48714	58236	52104	30926	65209	90431	163492	112700	45163	107444	46471	34403	166422	156071	180263	27673	24905	17480	22523	28977	269	29777	76942	154078	54677	130007	26280	66306	109355	65483	64744	44325	50513	52762	43079	52870	44620	191249	185885	533	96234	70977	97166	108643	99799	40419	32530	48686	145121	37443	76530	0	34823	143265	Phytochemical	0.47619048	0.85714287	0.0
28	C21 H18 O10	431.09726	431.09763	-0.21550232	431.09717	9020	8871	6589	9623	14386	8665	2237	0	14087	21846	5092	2327	29008	6914	4988	4319	0	21871	19366	11827	11624	12426	7826	4845	6516	8923	2271	4917	0	0	2138	1124	4745	1270	19883	0	3091	4550	2130	5378	5517	0	0	0	0	7421	10894	0	1788	0	8061	7238	9526	0	18407	13208	4931	4870	2533	1652	4388	5298	24561	11625	5434	16522	5622	2989	8037	14271	12605	1477	891	0	0	1457	0	2858	13805	8330	9234	5616	2532	3818	18684	7289	9465	4920	4726	1592	4719	5052	4016	12149	17979	0	8634	8886	8457	16106	18268	2719	2590	2902	7314	3690	10723	0	4293	28354	Phytochemical	0.47619048	0.85714287	0.0
8	C20 H18 O9 N2	431.10852	431.10916	-0.10086237	431.10846	14419	13495	9337	12220	11169	2463	1686	3390	17201	34262	21460	3151	20830	3484	4634	4438	4808	10723	15342	17880	29930	27909	5378	6743	1986	5802	3385	9496	2067	1491	3442	2878	4370	1696	43542	2481	4304	4024	4639	17993	39776	4879	0	0	0	21082	49050	0	5762	2886	9079	10947	7535	0	15585	14199	5063	4020	3694	7162	7093	17394	28837	19197	4339	16639	4910	7685	22474	18739	39293	2323	2441	1635	3007	2612	0	2424	5741	12844	5305	13536	2919	10502	13705	4938	8201	7283	5593	10431	0	0	10369	31647	21985	0	11462	10182	12352	20676	16638	6074	2534	4868	17683	6310	10417	0	2644	22987	Phytochemical	0.45	0.9	0.1
16	C20 H18 O9 N2	431.10852	431.10904	-0.118085936	431.10846	29017	29370	27996	28858	32786	14082	12014	7730	28563	81688	36309	9169	50681	12099	10854	14594	9321	42987	34461	44045	59690	78971	16692	17056	11436	25226	7630	24477	7219	6181	8321	8155	17148	7156	93881	6422	18079	10447	11909	55427	72814	9960	898	0	0	44655	78158	0	12118	7332	25887	27110	18441	0	37319	30233	12060	15111	8732	12725	22360	49909	42857	30913	10696	34984	16282	17381	31004	49987	51075	7128	6519	4445	10875	7985	0	9192	24300	44638	15624	46829	12082	32243	27920	18411	21603	15060	15184	50627	22475	30999	0	69121	77948	0	24859	24655	15727	22771	25908	18766	6538	11601	37734	14008	24770	0	11326	55311	Phytochemical	0.45	0.9	0.1
18	C20 H18 O9 N2	431.10852	431.109	-0.133471	431.10846	28525	26192	19763	35198	23209	15184	13784	11340	21448	56262	43670	8806	30909	12150	10398	19113	11095	24962	25816	35936	50789	67317	13177	11923	17080	48846	6553	28178	4211	4277	6506	4368	13416	0	72561	3627	19026	8791	13777	58861	48260	11108	578	0	0	39222	58527	0	6029	10528	21266	26112	21676	0	19632	22326	11908	20467	15943	14473	14288	43655	38038	25160	12665	26092	20105	17235	41731	21429	69401	5441	3792	2952	9700	0	0	5541	14749	46089	17433	39136	7195	33354	27137	12538	20836	13472	16593	25496	24629	32435	31026	47698	72420	0	33492	15273	20971	27441	19617	17233	6457	20807	31109	16689	17808	0	10076	40411	Phytochemical	0.45	0.9	0.1
20	C20 H18 O9 N2	431.10852	431.10898	-0.1429098	431.10846	11733	14286	10557	12568	9890	8104	5141	3966	17322	36138	19328	4078	9161	6202	6850	4554	6140	11614	14588	23365	26520	37939	8271	6587	6235	25627	4066	14407	3561	2065	3508	5567	2931	4560	43635	3387	6913	4104	4551	22786	32384	8302	0	0	0	23578	37046	0	5752	3070	11888	13055	8189	0	9921	13535	10397	6083	4484	4030	9066	25483	22342	9119	4517	12126	7393	3265	24256	27931	34368	4313	1761	1412	4767	4221	0	4148	13132	35262	6731	22159	5543	11441	16740	8217	14411	8784	7154	9867	10369	10767	18552	39171	37815	0	12484	10820	10988	13663	10145	7834	3834	5417	24627	6162	11932	0	7075	22722	Phytochemical	0.45	0.9	0.1
12	C20 H18 O9 N2	431.10852	431.10907	-0.13541429	431.10846	50950	55424	60518	54156	56028	30510	18086	16100	69600	146992	95804	15582	95840	21838	15000	25574	33528	72234	74420	99430	147340	158904	27606	27720	21540	57528	12128	53416	11520	12330	20040	15114	31034	15670	212724	11214	35328	21514	29268	129322	185692	26880	0	0	0	105238	197090	0	13850	15264	61020	58906	41754	0	76002	56692	30636	30660	21068	32954	0	119286	111274	73906	24356	73188	33554	25314	83736	114792	172962	18008	15006	8736	17951	12576	0	16732	40076	85764	28622	90062	17614	58434	64186	30540	48914	26232	28864	75922	27910	56212	43240	142494	109374	0	57842	62496	110872	118676	54932	32246	14484	21014	112242	30018	38452	0	24992	104548	Phytochemical	0.45	0.9	0.1
14	C20 H18 O9 N2	431.10852	431.10907	-0.10907745	431.10846	31746	32901	34627	28123	31757	21265	8081	9354	41808	82541	46764	8401	52364	14758	12345	13633	17828	35353	40908	49073	80302	84038	16070	21632	12004	28474	9898	25367	7517	7884	6019	0	17842	5584	103810	6537	17088	12443	16720	63463	95918	11896	0	0	0	56035	102459	0	10788	5952	30486	29957	20678	0	45203	31237	12904	19521	14423	16069	0	60727	64911	39955	14897	43215	21196	12030	55101	63474	63320	7175	6039	5675	11019	8436	0	11900	22411	44138	16421	52510	11520	26902	33858	16616	25659	15586	18425	41360	21887	29165	38003	71784	73175	0	31459	26814	24037	33848	32491	17867	9377	17808	33754	20413	24588	0	14149	57017	Phytochemical	0.45	0.9	0.1
10	C18 H22 O12	431.1184	431.11905	0.009409719	431.1184	25472	17886	22776	23191	22983	18020	10619	17097	32730	30883	25714	15635	57187	10867	17133	20296	16889	32469	35576	22475	34493	34767	19310	17322	8808	4368	11612	7016	12047	13901	12555	16079	21680	13013	42785	13381	19239	11575	15032	16251	19235	18724	0	0	0	11787	23241	0	16371	17366	21309	22952	17729	0	44428	25528	17284	20903	13914	19016	21869	15941	51061	38448	14763	32464	20594	14863	0	0	18849	15928	14819	11803	12374	11388	0	13880	17166	21007	17834	11084	7330	4658	27205	13167	13043	14366	16321	12147	8294	16675	20683	25574	34120	0	21214	23826	27775	29229	30247	21949	14581	15677	0	21929	27148	0	7621	48752	Phytochemical	0.6666667	1.2222222	0.0
12	C18 H22 O12	431.1184	431.119	-0.09209546	431.11838	41610	36209	38382	39689	41661	33078	18372	30157	67966	45630	33961	22796	94056	14358	29105	18986	19093	74973	72544	41486	55645	90584	41772	26992	8787	9166	14451	12365	21941	22134	25269	19096	41007	21554	81927	22767	32360	29094	20471	29679	38340	31839	417	0	0	34449	44210	0	20620	29177	43401	35311	37501	0	110835	44306	25380	26503	33255	19962	19936	28369	101121	82415	19483	61196	39575	24317	0	0	30966	22561	28040	25668	22435	22863	0	24466	29016	32749	27291	28689	11281	11097	43989	23925	23594	24575	28870	0	10419	29730	30959	62140	38452	0	43148	50274	48021	36605	37292	38757	22605	22605	29813	31339	37547	0	10999	107759	Phytochemical	0.6666667	1.2222222	0.0
16	C18 H22 O12	431.1184	431.11893	-0.11217159	431.11835	62756	54040	53590	66392	66129	66152	29185	40599	146148	85762	69353	37042	181441	29840	50593	29566	26773	118850	119658	73158	119500	99678	66993	49379	31509	26409	16549	30226	49126	35078	43703	32154	73808	29525	115816	42661	58998	47074	32236	76857	65570	51372	1346	0	0	75298	88592	0	44052	43247	65365	71533	59983	0	189351	65034	35004	36922	49895	21265	33840	66276	153404	143850	31067	98558	76012	23407	25044	58304	41425	47959	37657	44604	24624	29502	0	39306	37655	47287	25871	58613	20948	45728	59551	36230	27251	42371	44789	0	19415	44124	0	90394	79272	0	68231	68469	57752	38404	33852	42500	36984	31092	57402	36858	55508	0	24794	210781	Phytochemical	0.6666667	1.2222222	0.0
14	C18 H22 O12	431.1184	431.11896	-0.12858024	431.11835	43775	44545	39323	50384	54907	56426	18901	35637	93604	62556	40825	24767	144882	24550	46434	22784	29540	105023	83400	55156	89353	77429	50681	34551	17360	22003	15114	11985	26799	26624	32672	25977	52529	26920	77998	29465	42918	34953	21128	33064	53581	37178	0	0	0	45484	42724	0	23819	30847	50018	34586	38453	0	158341	54624	30847	27313	46953	17637	32507	41426	112536	100122	28738	68491	42124	18125	0	31125	65121	22706	27815	26970	16470	29628	0	33341	27345	36158	29566	38168	13045	15432	48946	29334	23814	26816	42042	15165	22532	35619	50140	48908	42935	0	40990	42304	47757	44282	36268	36111	29232	32390	46590	40959	38427	0	14596	118659	Phytochemical	0.6666667	1.2222222	0.0
10	C16 H22 O8 N4 S1	431.1231	431.12378	0.010775988	431.1231	11241	11977	11409	8563	3324	11239	25745	8098	4363	2737	3081	14186	3104	1841	14968	21293	1884	3467	11199	3675	1592	0	29180	18822	5620	0	23326	0	20292	18266	22797	30807	51797	22344	0	22394	40497	46151	2172	0	0	23458	0	0	0	4862	0	0	42560	3976	14505	10007	13734	0	5461	1184	19883	24321	0	0	19892	0	0	2927	28177	3692	25593	2260	0	3017	0	19379	12139	7488	9727	13964	0	21565	19506	0	18782	0	0	0	1698	2587	16330	20193	22167	2422	0	0	15983	1841	0	0	14539	10434	2630	699	2213	33123	21709	0	0	11997	2115	0	18700	2468	Peptide	0.5	1.375	0.25
8	C16 H22 O8 N4 S1	431.1231	431.12387	0.08860164	431.12314	1518	2190	0	1624	816	2026	695	18936	0	0	0	719	0	0	35500	2507	1085	1710	2389	0	0	0	1206	2584	23934	0	0	0	15267	960	1039	1453	1686	1101	0	1677	1016	1726	0	0	0	672	0	0	0	0	0	0	0	14279	873	1038	625	0	1075	554	819	0	0	0	0	0	0	0	1775	0	1184	2968	0	0	0	0	1136	0	2545	0	0	0	1815	0	1292	0	0	0	0	7139	2157	1141	2198	1229	0	0	3317	0	0	0	926	1021	0	0	0	2067	0	0	0	1603	0	0	1572	1177	Peptide	0.5	1.375	0.25
8	C22 H22 O9	431.13367	431.1343	-0.15795578	431.13358	13924	13645	11665	16229	7552	6295	7526	13248	10010	51962	18425	8965	9101	4734	9383	12389	11941	7835	12784	27588	30001	14637	10878	11870	3956	18935	10629	7128	10825	10322	9126	12968	9268	11242	30873	10912	11444	12031	16917	21529	51194	6285	0	0	0	18809	26354	0	11278	13765	16509	17025	5218	0	11013	8070	6619	10852	7390	12209	13833	16415	11114	8496	5510	8395	7723	20697	18363	25520	32940	10015	12172	10157	9973	13007	0	6479	14491	9356	11501	15611	10121	11048	11412	6559	13351	5205	7451	17300	0	0	12129	12562	13032	0	13241	16379	9396	9015	8651	9319	8886	11936	7229	9161	9201	0	8155	9392	Phytochemical	0.4090909	1.0	0.0
20	C22 H22 O9	431.13367	431.13412	-0.15054168	431.1336	225324	220436	211589	176453	241354	182505	81474	118301	275942	687097	286296	70514	363922	144206	114180	118648	62742	317932	283396	534660	495220	302279	129861	120691	101637	466300	73141	246171	96486	77143	94582	85655	129924	92072	761080	79670	129113	98862	60115	314899	228095	105796	8430	1536	967	317831	287900	2544	101342	78838	218766	242469	176628	1978	279714	206557	109575	136161	114301	65367	112204	229866	358896	233369	111690	254262	135037	72939	383279	632441	556920	105998	85056	68533	55916	91176	1389	83706	175161	177911	145875	219368	93774	275148	266010	143178	148667	101055	118402	88197	143022	175319	151790	234824	306589	3337	232485	217882	216895	219815	200835	117309	75890	127689	220803	112083	185174	2224	92307	382461	Phytochemical	0.4090909	1.0	0.0
16	C22 H22 O9	431.13367	431.1342	-0.11437335	431.1336	277481	309446	279270	282981	270620	179421	130728	192279	277614	1634638	431882	125448	318768	146369	173727	193852	126471	303323	328932	641456	585909	370284	186955	184801	134731	606027	118695	317749	163627	151422	184225	180649	210600	145223	1875272	153012	205750	145436	135900	862588	382703	127715	6428	1266	1153	388201	417057	1663	200203	163162	289899	277728	187670	1568	258954	186943	134669	202585	183280	134982	205843	290613	348269	213953	111358	256795	164039	141906	524390	1679670	1522260	174309	169996	138912	111965	166751	901	130084	262230	247792	195927	341155	155397	313490	285301	140498	204037	138604	157099	167348	202300	232784	241700	279661	792356	2571	284361	274958	233579	217861	209080	184727	121201	192018	279050	208706	214313	1230	157040	334002	Phytochemical	0.4090909	1.0	0.0
28	C22 H22 O9	431.13367	431.13406	-0.21420039	431.13358	13794	12723	11725	12375	20669	8610	3125	5419	18463	32926	12000	3224	38108	9152	5373	6826	4631	22896	23442	23764	30005	20679	10149	6421	6499	25188	3823	10884	4864	4773	5131	3669	6351	3341	34649	3441	6863	4768	3763	12878	11607	5847	1255	0	0	15434	15512	0	5375	4296	13411	11505	13029	0	22514	19965	6161	6953	4633	3195	10200	11020	32886	15866	6243	23947	8678	5221	27648	46667	40060	4172	2294	2615	0	3037	0	4385	14466	13288	9262	9454	4148	10096	25055	10275	12760	6910	6389	4396	7468	9492	8496	13359	23844	0	11410	15732	11998	21405	21532	5991	3675	7636	10582	4989	13258	0	6003	26045	Phytochemical	0.4090909	1.0	0.0
14	C22 H22 O9	431.13367	431.13422	-0.14222628	431.1336	220830	234870	216927	205435	153650	108861	114404	153945	179585	512386	326382	112990	175031	91636	125496	161291	129902	182287	171978	414035	822900	304776	139766	178022	107098	800232	107954	267253	111849	125389	126244	172692	134916	113343	1101898	117712	136905	120430	130598	555094	312736	90111	6282	614	543	283897	331814	789	131385	141096	205382	195576	121111	653	176325	129069	92672	182808	165734	138534	177411	215062	211316	170358	85115	160176	113948	131074	429138	1050364	1081330	137300	122452	122587	102003	148936	527	111705	165172	197920	150810	236031	112813	220261	170743	110022	147877	99990	102916	175347	137545	145424	166583	217734	527870	1657	204084	186095	154977	144757	141081	131691	108288	175276	252055	113014	127005	785	116085	183619	Phytochemical	0.4090909	1.0	0.0
24	C22 H22 O9	431.13367	431.13406	-0.19809534	431.13358	47287	38139	40305	39853	63371	35725	11011	17413	63835	111653	44764	12217	114697	32381	23483	19084	10339	70180	68365	93201	78766	58992	30307	27068	12524	86628	8534	36734	15107	13780	11794	9743	22927	13611	130041	12100	19624	19494	10892	63859	45606	15878	3071	0	0	57669	57388	0	16306	12341	41209	42508	42638	0	67193	61177	27124	21632	18116	9711	17843	42735	96492	60291	22818	73620	29100	13768	86179	129375	127507	15021	10615	8055	8451	15425	0	13235	41988	37375	36043	42621	11045	38071	78511	36638	34823	19335	23580	17544	22542	24063	21502	53664	86239	0	50999	38091	52312	65177	65971	21160	12683	18747	40436	16402	51865	0	15465	97434	Phytochemical	0.4090909	1.0	0.0
10	C22 H22 O9	431.13367	431.13422	-0.19312686	431.13358	45409	48059	40554	40304	24731	18259	30481	40986	26606	169278	61432	24458	24575	20133	23068	39442	32851	29155	30426	72740	162924	42485	29160	33442	16633	70566	27971	41383	26912	28652	31387	35013	31801	30291	190932	31789	30679	26799	35929	56093	125484	16837	847	0	471	52065	69437	0	34780	30101	47991	40253	20768	0	27903	18502	14542	42014	28850	38814	41625	36897	37792	27360	16996	27929	19127	35228	81774	88821	216164	32247	30106	33263	25662	30437	0	19709	41207	40493	36877	45646	25112	28636	34496	17947	35279	19343	20556	37646	22533	23748	37402	40168	99532	777	40471	39134	33776	27737	26605	28252	26242	38400	56502	28248	27699	0	21353	29384	Phytochemical	0.4090909	1.0	0.0
18	C22 H22 O9	431.13367	431.13416	-0.11163755	431.1336	331873	312911	288885	281632	306789	230013	124745	178825	303310	1008124	461800	111922	451724	170659	167598	175880	107833	384783	381016	731233	681528	414717	179141	177289	139864	634729	125117	375497	156807	137280	154294	161839	179636	150911	1016853	144832	216996	151703	110763	507533	347570	126731	8401	1186	1376	436144	376254	1449	165753	141551	307402	305723	211097	2032	348970	257195	149249	203545	170824	104102	184105	324504	464185	250622	131951	319015	190094	131712	521986	909420	774919	168083	127567	139485	96964	159099	1229	120472	237781	238962	207779	360074	131464	325337	318864	191847	213128	139313	156954	147094	209196	242524	237389	292987	452477	2876	320406	272957	291910	266658	255444	167007	112627	206113	266542	156160	224676	1730	144047	418209	Phytochemical	0.4090909	1.0	0.0
12	C22 H22 O9	431.13367	431.13422	-0.15100196	431.1336	114619	113854	116101	126532	68537	44089	77784	81466	82725	234135	170013	54786	64184	38866	58745	91160	81002	77337	92152	210016	382864	146666	70781	107370	41308	336418	67969	114104	60644	72808	69949	85590	85725	66553	514982	71986	69507	67398	91677	309764	197999	44840	2585	0	0	142153	206829	679	83051	90103	114392	118264	53189	385	79999	56495	43200	93483	88825	91694	92563	102798	86115	67696	35749	66748	46268	89632	207623	473598	566980	69367	77818	71008	62297	88296	325	58072	83790	105645	80934	114967	63009	93829	76956	44917	91738	39175	46449	94315	73272	89053	84812	120492	123534	804	119504	121890	91310	71581	65658	81437	58377	102784	138084	67335	64140	0	57233	95508	Phytochemical	0.4090909	1.0	0.0
20	C21 H22 O8 N2	431.1449	431.14532	-0.19284649	431.1448	31591	31459	31688	27380	25945	18350	16667	19392	27000	59682	42438	12884	32560	16078	21193	24634	18381	30908	29972	38830	47807	56111	23194	30595	19586	74953	15573	34176	18041	9456	15260	18351	30546	21267	62925	8691	26089	14794	15580	65576	54232	16760	1115	0	0	40471	49936	0	14137	16660	27664	33034	23648	0	23377	18830	16870	26140	18890	18850	22305	39966	28044	21989	9096	25508	21000	20384	56474	53131	89370	11138	7596	9643	21725	13667	0	12313	33107	43521	27938	33592	20264	39636	23674	17041	29161	15023	12917	36347	35714	39989	48061	38691	43831	0	30591	26281	17588	23938	14989	14553	9711	27417	27415	26313	16489	0	22186	35588	Phytochemical	0.3809524	1.0476191	0.0952381
6	C21 H22 O8 N2	431.1449	431.14554	-0.16862035	431.1448	21285	19723	15413	19739	14377	9154	6606	10610	15798	48009	26168	8550	21708	6549	7818	17057	11303	16862	18236	36640	57308	30864	13017	19004	6479	20067	5056	20800	10900	10875	9061	11281	16507	11261	60021	11901	15900	10401	15608	28835	46655	8810	0	0	0	30826	48038	0	16735	10249	20822	17331	10089	0	21018	15394	7176	13471	7215	14610	16030	18902	20708	19149	6120	19545	10836	18436	28562	35982	59322	11957	12050	7397	6429	10977	0	8176	13504	19073	10435	18756	8423	16966	14358	10344	13351	11565	9769	21932	13725	16945	23313	30403	39344	0	19010	17707	12329	16919	16287	13008	7709	18156	0	13843	10934	0	9548	21338	Phytochemical	0.3809524	1.0476191	0.0952381
8	C21 H22 O8 N2	431.1449	431.14548	-0.18153197	431.1448	44878	47646	39361	44592	24727	15891	18703	35597	28847	113735	67075	21890	42846	15623	21233	33811	29441	23370	36097	95373	115095	81850	22965	40639	15652	43332	18312	40897	22635	24656	23172	29288	31039	24496	131636	22050	28376	16508	32884	82222	101587	19724	0	0	0	76405	92458	0	30521	25444	42728	42804	25541	0	40585	23935	15387	32958	19599	26118	28279	50799	41229	30657	13786	31122	19675	37726	73741	92309	124285	25174	21222	15685	15533	23828	0	17719	32187	53798	22280	42025	23573	50315	27047	14529	31276	19233	19844	53480	29114	47462	57992	65363	88769	0	49355	46402	26403	34896	29932	29646	18048	43009	48682	26230	22340	0	22923	37062	Phytochemical	0.3809524	1.0476191	0.0952381
24	C26 H22 O6	431.14893	431.14935	-0.16647123	431.14883	2318	3081	2227	4847	2862	946	1257	0	4315	6337	15868	1737	2964	1930	0	2032	1836	2058	2890	3617	9582	3320	3037	1732	0	32344	0	12260	0	0	0	1243	1143	0	9667	0	0	1646	0	4739	11662	1603	0	0	0	6124	7293	0	1299	0	3887	4714	2290	0	4453	2703	3312	0	906	2746	0	6207	2841	2407	1642	3979	2684	2477	35175	18859	39809	0	0	0	0	1406	0	0	4741	6918	2269	4263	1648	8729	3954	0	5395	1737	2347	2705	2348	1700	0	4809	3351	0	3734	4158	4547	3498	2565	0	0	2873	4592	2767	3526	0	2110	2874	Phytochemical	0.23076923	0.84615386	0.0
22	C26 H22 O6	431.14893	431.14938	-0.19848299	431.14883	4329	6407	4844	5032	5030	2806	0	1645	6344	7986	10600	1737	2719	0	1675	2545	2256	3848	6188	6064	9662	5550	0	3268	0	42799	0	17740	3013	0	2812	4602	1595	0	6959	1305	0	1663	1967	8114	10695	2507	0	0	0	4301	6411	0	3314	0	4486	3284	2010	0	0	3420	2069	2054	2137	2075	1430	5165	2823	2574	2517	2870	6266	3817	32168	30227	46349	0	0	0	2007	0	0	0	4753	7816	1913	4636	1541	8446	5937	3543	5142	2852	2394	4647	0	0	1614	8809	6418	0	3801	5704	5753	3186	1860	3413	1914	2900	4798	1673	0	0	2495	0	Phytochemical	0.23076923	0.84615386	0.0
16	C19 H26 O11	431.1548	431.15527	-0.15311135	431.15472	65831	62822	63414	71235	41655	47894	31820	78189	96974	146604	55329	31581	99818	23639	77092	50003	21771	107535	104564	115863	120557	81803	56332	62915	57439	44825	24489	48677	68992	61191	74124	66638	81224	53851	194249	70391	82199	63027	17854	91832	37396	44829	1299	0	0	73573	35321	0	64722	57619	64319	67179	51069	0	157529	52722	35486	71938	99622	18057	65530	51362	105791	88573	25133	63095	50275	14881	27281	77643	47612	72221	64476	69113	26720	53537	0	52933	43128	28431	36776	39207	47433	42064	37057	31069	31381	30214	42360	0	41469	84847	73931	56297	74916	786	70436	57606	36258	24613	35855	66926	37866	81783	24546	56705	30557	0	33733	103969	Lipid	0.57894737	1.3684211	0.0
12	C19 H26 O11	431.1548	431.1554	-0.11269264	431.15475	149464	76013	70188	88188	43011	36634	58940	122369	141206	135752	60092	63563	78386	21014	184604	73788	63612	75606	141760	107192	114832	98290	166128	93286	50527	15323	47228	59640	106280	170579	169512	167443	211375	63848	181772	95429	159456	100348	74394	146190	51772	97744	0	0	0	73584	54906	0	86354	104506	66432	72981	55731	0	127674	41641	43211	174420	102672	35590	88526	59746	78636	159342	32438	62576	57950	53440	0	59891	71759	77616	140616	160147	52448	136557	0	87176	59218	0	77353	57298	64174	39788	56072	44037	58986	42425	91448	56506	75527	98444	202763	61598	73953	0	59266	119407	46174	50516	44536	89056	68918	98539	0	164773	50302	0	49973	92658	Lipid	0.57894737	1.3684211	0.0
10	C19 H26 O11	431.1548	431.15546	0.08710266	431.15482	131102	116780	101166	127284	36113	39212	98100	83525	87151	80840	43956	54721	49729	16161	70716	72447	44421	61701	130510	155185	168933	153678	116842	164160	42660	12892	48968	27678	75021	148394	139478	136436	154280	122362	220355	145470	90254	62030	124712	53611	93872	59552	0	0	0	56332	39195	0	79188	139094	114962	95964	66171	0	135318	68202	53478	14272	66088	47682	57372	38964	100030	44994	44760	91106	31863	124806	0	14608	16457	144146	64881	140422	57015	120998	0	90870	67349	0	98278	62922	87688	25884	47389	29707	61184	35811	43220	92562	81782	131184	109587	36496	66981	0	98100	75940	25140	42728	36804	148536	55323	59019	0	127974	30933	0	40323	94410	Lipid	0.57894737	1.3684211	0.0
8	C18 H26 O10 N2	431.16602	431.1666	-0.16982824	431.16595	27186	37040	24610	31942	22250	20644	17416	41702	26144	25158	16338	22526	34820	7588	28936	42706	23734	31968	36442	22342	26974	48740	35088	54907	22050	3737	19326	4955	38200	33230	30124	33540	41846	28712	36444	32820	45432	25190	29526	30574	27950	22926	0	0	0	15296	26708	0	40830	33582	42418	23768	20928	0	39436	13928	17340	38496	32172	23638	30828	8968	38400	25456	13048	17302	24418	33326	0	5371	6992	29782	35686	36707	18150	27930	0	23342	33114	0	18690	14193	17790	4926	20594	15444	20510	18624	24562	40938	45590	43252	70130	12786	14686	0	28140	39788	13448	16582	16516	41556	29415	34440	0	43382	15944	0	21157	43986	Lipid	0.5555556	1.4444444	0.11111111
10	C18 H26 O10 N2	431.16602	431.16663	-0.13198878	431.16595	25341	17132	17624	22112	8590	12706	14100	23142	16845	12353	7530	16545	20251	4678	23279	28602	23031	21831	22447	22149	22091	23746	26645	36271	12369	5353	12405	0	28280	18396	19822	21374	31248	21978	29910	24393	32228	18363	13924	20468	17134	12042	0	0	0	14922	6973	0	23868	20768	24974	22237	11702	0	29169	9075	9819	24362	24643	13077	27886	12982	19247	17185	8856	16216	12564	12054	0	7029	7065	26251	24176	18054	8695	18513	0	16233	11611	8206	19503	8619	10080	4836	12508	13175	23849	12409	13783	27189	22004	29688	39894	7013	17599	0	20677	19535	7732	10184	8861	26866	16430	18431	0	25411	11254	0	14931	22008	Lipid	0.5555556	1.4444444	0.11111111
6	C18 H26 O10 N2	431.16602	431.1667	-0.15240625	431.16595	11611	11638	10541	10373	7395	5564	7604	13459	11164	7891	4506	6998	15064	2727	10867	14210	11521	13223	13680	6490	8810	16705	9931	12690	5303	0	6301	0	12491	11187	9628	11428	17900	10034	10488	11496	16358	9301	12599	5928	6982	6329	0	0	0	8785	4113	0	13718	11552	11414	12775	8227	0	13817	6548	6484	15645	10493	7906	13765	3457	17429	10281	4122	12276	8484	13789	0	0	0	13620	10636	9977	4772	8870	0	7403	7676	4686	5516	3205	4584	0	7964	6763	8064	9287	11417	15360	9303	15884	21588	6225	5443	0	9451	14018	4482	6413	8178	13264	6960	10927	0	15419	6717	0	6683	17657	Lipid	0.5555556	1.4444444	0.11111111
24	C23 H26 O8	431.17004	431.17044	-0.17694555	431.16998	133846	127915	127446	130538	147550	101434	40510	82547	158327	308248	143827	57016	229617	94410	80437	89674	55378	186072	190050	261355	274564	131927	105769	96202	75230	292132	37585	132049	71201	68933	71430	75038	89411	68023	328482	65349	105598	60467	56069	173257	147166	62002	6556	2917	0	137665	118978	2504	72201	74490	130854	130041	99562	0	165393	144946	67294	97515	77063	42232	94047	120881	189550	131404	55958	170144	80873	54519	260482	441627	394844	80443	63889	61886	47765	63094	0	61175	123115	81522	109790	93142	51799	121748	168309	81778	111692	66957	80260	75143	97506	99492	133939	100464	145713	2980	126110	125643	108195	144000	137414	81904	52063	84378	84709	75739	106997	3051	65012	220868	Phytochemical	0.3478261	1.1304348	0.0
22	C23 H26 O8	431.17004	431.1705	-0.146165	431.16998	356242	361520	317144	348606	363082	282034	125055	255329	397669	848992	436067	152714	451997	223782	235641	225095	136587	472635	387645	810230	782760	388645	260591	277668	220766	827791	117451	395030	230101	188767	222797	232065	272703	199522	951715	215269	316324	185889	160983	499182	356287	171724	16223	0	2035	394122	330680	3712	229609	212196	351497	336946	275314	3828	399237	314404	177378	254933	222690	129548	255298	351772	508263	315030	149984	380278	237541	147265	688332	1374208	1072612	241546	193414	183893	115307	208951	2796	191673	317357	174055	267550	262278	172948	310110	359861	214739	283728	179023	197784	202748	298002	325648	332537	260086	390302	5822	330221	365401	286209	337661	289675	233614	167751	256587	241919	233894	265740	0	177985	519994	Phytochemical	0.3478261	1.1304348	0.0
20	C23 H26 O8	431.17004	431.1705	-0.13854209	431.16998	662605	696201	651499	577517	590618	469758	265263	540116	642965	1503178	785636	294058	815850	398847	432710	474373	259750	676027	778572	1583128	1460994	688423	466109	561127	393804	1629365	257375	712214	447547	387799	414175	436382	523703	416565	1726588	373353	592615	363930	287868	925932	697735	337212	18112	5007	2491	705440	590885	4359	453582	410956	651841	659492	449175	4175	629066	499698	321941	498261	437669	267236	482809	622260	795255	562099	272512	590652	399279	302016	1311640	2311177	1942901	479363	437707	428560	289141	429782	2123	357846	535620	381027	443463	442507	365513	675269	598763	340516	493983	323896	351531	371379	544569	577147	680818	431334	590746	6809	655109	640438	513518	502032	474957	457519	328958	534764	460860	474598	468745	5831	367208	859487	Phytochemical	0.3478261	1.1304348	0.0
16	C23 H26 O8	431.17004	431.17056	-0.1404781	431.16998	551871	540045	495645	525423	405741	271831	287458	485523	417303	902695	587973	329653	410062	246939	381864	452680	362544	416359	513167	968891	996304	457685	405361	505171	309943	1217647	293151	491914	364866	397777	430422	421419	455778	327597	982745	404058	399408	339773	398016	1342116	1254366	237086	11108	2520	2382	495388	527412	2543	464186	419010	520792	498686	329687	2748	403280	333237	243443	474384	386793	330370	468971	425981	483617	358876	196382	385232	310314	352038	993373	2847208	3005438	437675	421113	402037	329167	432964	1474	310290	525477	331716	417676	390331	374843	504803	446536	242222	446977	257913	276744	588011	391887	419667	579516	329177	457003	5057	505438	491487	358983	356369	355212	424368	289993	468025	296581	445957	343556	2314	385150	474681	Phytochemical	0.3478261	1.1304348	0.0
18	C23 H26 O8	431.17004	431.17053	-0.1195528	431.16998	771138	770385	693656	698149	619847	419542	358415	651712	581617	1566107	922959	398055	764554	389317	486708	607538	376015	679886	831518	1574077	1472723	712426	557414	663679	421726	1818291	340104	833494	604535	516441	532305	597281	640474	544554	1553026	541087	611124	457533	424474	2117770	797957	370199	17583	2504	1699	740813	606320	3070	620539	513541	748751	745275	462199	3427	714417	505002	356561	614945	497260	373303	595585	678863	803008	539411	286364	605209	419941	472714	1441213	2228859	2265228	562825	475260	541064	399886	614565	1680	420210	670890	402661	592551	553621	444125	697079	675342	406003	588777	365126	427890	509086	582266	632617	772682	439619	708546	5490	745953	666404	552469	524124	509766	576495	385110	619887	418936	495780	447714	3020	448137	719618	Phytochemical	0.3478261	1.1304348	0.0
8	C23 H26 O8	431.17004	431.17065	-0.20265645	431.16995	12903	12190	7997	10357	3774	2156	7575	12270	4710	33102	7489	7864	5347	2531	6467	15197	7975	3236	6267	29976	12665	12345	9713	12430	6523	23580	9006	5681	9555	12668	9109	10535	9228	6320	32558	9698	7574	8783	17400	12250	26448	3841	1114	410	684	9264	13525	622	11560	8292	10498	9170	4085	498	5944	5549	4646	9424	5936	13801	12742	7062	4806	5341	3634	3705	5570	13541	9763	10060	25079	9819	10361	11314	8244	11378	409	9017	11635	6198	10510	10488	10415	9271	5825	0	8320	3312	4210	10480	0	6967	12864	7236	8795	776	8779	10322	6313	6939	6586	9467	8550	17329	0	10830	3873	524	9231	4113	Phytochemical	0.3478261	1.1304348	0.0
14	C23 H26 O8	431.17004	431.17056	-0.17222963	431.16998	268499	278326	262487	270248	169380	124987	206825	267961	186942	376871	285196	199366	188299	106648	205811	284688	218616	176506	200898	934254	909928	273413	207079	299148	163557	1061476	193818	276214	193349	226474	208762	294565	228418	179139	410622	231901	212595	188800	234493	583662	364929	142056	5227	1268	1059	263075	320954	1804	255262	256563	249783	256143	142375	1755	195303	150975	126597	274986	239639	244732	329028	211539	212588	190132	113311	169677	135470	256228	487242	1139412	1366900	212956	206996	230825	209085	235479	671	173528	289103	212329	239388	205879	216295	477272	206792	135535	237572	121687	146528	306606	207365	194565	288817	186946	214699	2666	272076	245517	179295	180199	173777	230034	175017	311265	214755	230437	157155	1010	202456	186189	Phytochemical	0.3478261	1.1304348	0.0
2	C17 H26 O9 N4	431.17725	431.17798	-0.08991515	431.17722	3002	4511	2448	3606	2385	0	1029	3066	2357	1527	3013	1790	3695	876	1821	616	2437	2669	3034	476	1009	2642	2259	2577	1039	0	0	14287	3924	1338	4305	3018	5260	3254	1043	2851	4616	1411	3419	0	0	0	0	0	0	829	294	0	3688	1369	4231	2577	2894	0	2079	806	1007	4768	0	664	1062	0	2876	2408	0	2696	2617	4268	0	265	0	3520	3037	2270	0	2605	0	1948	1936	25771	1773	0	434	0	1131	940	2479	3510	2905	6395	27512	16870	6716	7078	0	0	2345	2824	1508	1081	954	3122	1781	862	342	4348	1018	0	1438	3298	Peptide	0.5294118	1.5294118	0.23529412
26	C27 H26 O5	431.1853	431.18558	-0.20574883	431.1852	3225	2838	2892	3338	2986	0	0	0	2230	5312	9257	0	0	0	0	0	0	0	0	0	0	3756	0	0	0	28141	0	6666	0	0	0	0	2714	0	5439	0	0	0	0	5496	6823	0	0	0	0	0	0	0	0	0	2434	0	0	0	0	0	3042	2879	0	0	0	0	2706	0	0	3989	5577	0	25960	9041	20681	0	0	0	0	0	0	0	5185	0	0	4230	2836	9677	5568	0	3964	0	0	1640	0	0	0	5493	0	0	5068	0	3247	5742	0	0	0	0	0	1752	0	0	2944	0	Phytochemical	0.18518518	0.962963	0.0
20	C20 H30 O10	431.19116	431.19153	-0.26886016	431.19107	37562	22471	32179	29991	21346	19767	7948	29038	34904	54232	27403	10783	49971	14382	24262	22519	24353	25740	35710	94967	38046	32891	20812	29177	18120	53628	15692	43652	35344	13824	20889	25118	40619	26310	63016	18758	35625	18388	11493	46978	31589	18274	0	0	329	32205	21162	0	29061	21675	30887	30670	20716	0	45838	20750	12809	27423	36102	16202	27616	20068	31717	23903	14353	23946	21015	20432	49916	48557	72314	22895	19701	27803	17226	25712	0	18501	20206	19457	13574	11646	21662	24366	17123	13010	20935	17625	22573	27936	49349	67219	37974	18425	27435	712	34761	27088	13149	14116	24302	30698	17950	42569	17644	13815	15324	0	19830	25088	Lipid	0.5	1.5	0.0
18	C20 H30 O10	431.19116	431.1916	-0.2063727	431.19107	5823641	5613738	4816656	4681445	3995144	3146501	3858468	6190072	3711355	6473710	4404014	3137339	4575393	2702134	4886168	6357147	4153013	4453108	5810289	8069237	7545189	4887360	5437551	6325507	4326148	9507910	3294854	4676860	5801711	5074109	4310271	4711548	5176304	4773560	6138975	5804153	5792005	4342915	5113651	5532714	4835335	2938296	107630	15468	10602	4402933	3411931	14616	5771975	4465757	4924982	4840846	3474036	22884	5257078	3772347	2695829	5290318	4341354	3282943	5661033	3113545	4904326	4522528	2592482	3896227	3941798	4762272	7489081	10117867	12281020	3785385	3552045	5295350	4375251	5382598	8814	3050822	5503620	3017965	4394280	3256201	3463175	3822090	4532615	3214452	5323343	2639650	3334636	5214341	5150775	5468103	7006960	2924190	4052224	28404	4884662	4708005	3511496	3982405	4057636	6147534	3486227	5811998	2996566	4522366	3226127	11712	4256816	5252162	Lipid	0.5	1.5	0.0
22	C21 H31 O4 N2 S1 Na1	431.1975	431.19778	-0.2829236	431.1974	5018	5271	5124	2767	4954	5995	1117	6662	5616	7492	8820	0	2825	0	4142	3584	3928	0	7236	14805	9959	4343	4424	3821	3182	16916	2961	8219	3005	2323	3559	0	4300	2362	13263	4118	4324	3075	2679	5101	6830	2698	0	0	0	5705	2670	0	3794	4340	6662	5634	4677	0	3668	2670	2416	4292	2370	2538	4462	4862	7176	1757	3458	6528	2612	3691	14344	19061	24180	3585	3913	1847	3349	3850	0	2714	4790	1470	6160	3899	4241	8003	3354	3056	3503	0	2728	5027	4021	0	4566	2943	2212	0	4027	6070	3481	4291	1731	3129	1789	6250	2876	5554	4077	0	2887	8094	Organosulfur	0.1904762	1.4761904	0.0952381
22	C24 H30 O7	431.20642	431.20688	-0.12999868	431.20636	981406	999702	908346	946268	903572	686600	460531	868702	867961	1816044	1182130	494943	896433	592545	724692	830708	531296	1041316	1048556	2125939	2106630	952836	758444	938989	708718	2377821	407910	1106923	845174	699394	763043	790398	938307	750444	1913314	799829	1003461	644505	583455	1303834	987526	531801	29865	6655	3029	856332	703478	5671	851122	693251	941720	980483	706516	5670	1001427	781975	497159	886028	708149	456605	867383	853347	1011084	804390	372782	861842	648100	583773	1882451	3531053	2874043	769881	667340	697897	478676	770544	4933	612827	909564	493329	741698	550133	590925	815773	852531	559125	832252	564668	651292	633777	929396	994283	1015248	610846	976729	8264	837109	944753	657394	787793	708711	901837	531840	932024	539478	781180	689316	5223	595993	1126983	Phytochemical	0.29166666	1.25	0.0
10	C18 H30 O8 N4	431.21365	431.21408	0.15603746	431.2137	0	0	0	0	0	0	0	0	0	0	0	0	0	0	983	1309	0	0	0	0	0	0	0	1522	0	0	0	0	0	0	1010	0	0	0	0	0	0	0	0	0	0	964	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2087	0	0	0	0	0	0	0	0	0	0	0	0	0	970	0	0	1156	0	0	0	0	0	0	0	0	0	0	0	1340	0	0	1726	38272	8337	2419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.44444445	1.6666666	0.22222222
2	C18 H30 O8 N4	431.21365	431.2144	-0.17234227	431.21356	6834	5627	7374	6595	2174	28390	3667	4550	2282	832	6326	4619	5156	1615	3959	1143	12585	5291	2790	0	530	3853	2501	2511	1598	0	0	42580	6348	2526	3440	4207	7284	5271	788	4466	5017	3284	13261	393	0	3810	0	0	0	400	324	0	2823	1790	5743	6829	2782	0	2626	966	1048	4532	311	388	2228	0	2616	1924	0	5046	3015	11617	0	0	0	5190	4936	2997	487	3869	0	3322	2579	264859	2266	0	0	0	1845	2024	3816	3232	3264	9798	148277	65590	9985	25452	0	0	7704	6629	1077	984	1582	3042	4133	1225	0	6670	1616	0	2211	4106	Peptide	0.44444445	1.6666666	0.22222222
8	C18 H30 O8 N4	431.21365	431.21436	0.016632846	431.21365	0	1233	1963	0	1023	1838	0	1067	0	0	1064	985	0	0	1323	2004	0	0	0	0	0	0	0	979	1699	0	0	8430	1052	0	0	1041	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1236	0	1885	1347	0	0	0	0	0	1242	0	0	0	0	0	0	0	1156	919	0	0	0	0	0	0	0	0	0	0	750	1117	9611	0	0	0	0	0	0	1576	0	0	1592	56345	16983	2686	2822	0	0	1951	1969	0	0	0	1614	0	0	0	0	0	0	998	0	Peptide	0.44444445	1.6666666	0.22222222
4	C18 H30 O8 N4	431.21365	431.21445	-0.023287635	431.21362	4146	2173	3970	2051	0	2160	1045	2450	665	0	4107	1093	1829	0	1459	3060	2433	838	1159	0	0	1817	1467	2677	1547	0	0	21778	1550	1679	1481	2032	2765	762	813	1627	1644	1492	3427	0	0	754	0	0	0	0	0	0	0	1511	4242	2820	0	0	959	502	564	2177	654	0	2329	0	562	644	0	1309	493	1662	0	0	0	1397	1124	1362	0	933	0	1282	1512	202506	974	0	636	0	525	1113	1672	532	854	3497	176865	45366	3707	17949	2457	0	3342	4721	0	820	0	2012	1207	0	0	2493	1201	0	1222	873	Peptide	0.44444445	1.6666666	0.22222222
22	C23 H30 O6 N2	431.21765	431.21805	-0.29206032	431.21753	9669	12995	9550	8854	4097	4669	7829	14116	4567	8199	7036	6030	4626	0	7399	12722	8664	5703	7301	11702	12619	31417	10740	16900	10769	3802	5937	10653	8980	8601	9674	12008	14260	11774	6840	13247	13671	6754	8257	11343	16272	6746	0	0	0	7302	8493	0	10376	6665	11632	8598	7121	0	2605	3494	4199	13879	7589	7454	10517	6516	3091	4780	3167	5850	6802	10164	6888	10020	6777	11868	5607	8608	7473	8489	0	9242	17172	5976	10912	5374	5665	7687	4591	3987	24212	7642	6451	64705	22709	14271	97720	4609	6633	0	8851	7925	2606	3831	2539	10160	6857	12533	4078	23505	2611	0	13088	4114	Phytochemical	0.26086956	1.3043479	0.08695652
12	C23 H30 O6 N2	431.21765	431.21817	-0.2364507	431.21756	15993	19413	17507	13028	5106	10370	13743	27090	5991	32371	13298	8658	4798	6381	13778	22823	18022	4802	10485	50132	34570	27667	14822	24558	20166	17039	12794	12010	24111	18070	20400	25241	27233	22697	36025	21263	24111	14622	24486	33277	17563	12491	0	0	0	19220	17550	0	25915	19151	17097	14773	10008	0	10111	5552	5705	25643	0	8063	17905	15096	4008	4278	4789	6006	10034	21106	0	34758	24817	21290	15507	17865	13878	17338	0	14754	14327	16789	10081	6442	6194	17279	4572	3031	14671	9779	10664	35227	24437	10191	40395	16679	24807	0	14576	19073	4687	4409	5481	29278	11822	20633	0	25074	5360	0	16918	3435	Phytochemical	0.26086956	1.3043479	0.08695652
14	C23 H30 O6 N2	431.21765	431.21814	-0.25570452	431.21756	22049	14658	19449	20641	5432	6878	18116	31260	7257	17383	19082	13132	4581	3255	17567	20657	23301	5949	12655	34834	28449	25951	12362	22854	19568	19496	14122	17788	18892	15969	17688	23336	25453	20375	29302	23654	25381	14663	23422	29413	29153	11776	0	0	0	22208	15592	0	23841	20576	14650	18227	10045	0	6890	5502	5553	30842	5995	9216	22205	14367	6153	8589	5657	7598	11392	22577	0	34527	21621	18563	17058	19809	18135	21179	0	14364	14703	16229	15692	9722	10823	18057	2802	4844	17597	9838	13673	38943	31728	18252	38773	16260	27760	0	19717	17109	3883	8890	3954	25981	11737	22591	0	24334	5940	0	15680	5248	Phytochemical	0.26086956	1.3043479	0.08695652
8	C23 H30 O6 N2	431.21765	431.21826	-0.22838035	431.21756	13603	15590	9995	13742	4571	7092	9168	15989	4142	24063	15632	9874	4498	2714	9493	17468	14957	5049	9022	37072	29850	19539	10757	16983	14625	13415	7632	11033	15791	13354	13333	17190	17507	14646	27046	14319	16460	9614	14910	20753	12178	6366	0	0	0	13152	11397	0	17881	17603	16140	12279	6314	0	7294	2118	4021	17101	0	3540	19080	12438	2859	5363	2858	6463	7458	15242	8849	27885	14309	16318	11875	11019	13164	15504	0	8007	9883	13966	8669	3983	3247	14894	2149	3824	12217	8005	7852	24972	30758	13068	33038	12761	25253	0	14439	14650	3656	2116	2977	16456	7335	17951	0	16360	2187	0	10715	3582	Phytochemical	0.26086956	1.3043479	0.08695652
24	C28 H30 O4	431.22168	431.22208	-0.21938209	431.2216	10610	10446	7851	7027	8433	3970	3643	9513	6487	5230	12886	7618	2565	5411	7008	14856	13442	4960	9309	5397	9634	5339	7267	12087	8808	39612	3493	11426	7942	9727	6651	9181	9314	4723	6788	8410	8964	7166	13005	6865	11158	7261	0	0	0	7257	6221	0	9590	8227	8966	7919	8843	0	5049	6912	5422	9120	4574	8313	10377	5719	2440	6643	4129	4572	8714	13803	29165	17297	32369	4469	5604	7008	4494	7332	0	6458	13413	9380	10808	5099	4420	7780	6371	3877	15108	7063	5951	10870	5732	4533	8884	8573	4452	0	6395	6698	7519	11242	9446	12634	5912	10302	4538	10811	8555	0	11868	5337	Phytochemical	0.14285715	1.0714285	0.0
26	C28 H30 O4	431.22168	431.22205	-0.25770393	431.2216	8800	6099	3930	4035	7920	0	0	8660	5031	1469	12160	3041	0	5061	6168	10396	6577	0	8261	0	0	3535	6300	5678	6281	32794	3891	9357	0	10370	6611	5594	6955	0	3389	8462	6790	6292	5590	8715	9957	0	0	0	0	6667	0	0	6229	7484	6492	5422	7194	0	4827	0	4149	6534	4605	6216	6070	5447	5028	3388	0	4285	8733	10016	31903	11618	20056	3118	6497	0	0	6980	0	4246	7763	0	4061	5243	4550	8336	10607	0	9646	4507	4788	9848	2424	3054	10404	6903	0	0	8256	6347	5289	9908	10301	9263	4488	10023	0	4479	8497	0	8649	3187	Phytochemical	0.14285715	1.0714285	0.0
10	C22 H30 O5 N4	431.22888	431.22934	-0.30465847	431.22876	2374	2634	1970	0	0	1923	1590	2094	0	0	1945	1483	0	0	1451	0	0	0	0	0	0	0	0	0	2057	0	0	0	2551	0	0	2346	2426	0	0	2105	0	666	2266	0	0	0	0	0	0	0	0	0	2724	1520	1583	2894	0	0	0	0	0	2382	0	0	0	0	0	0	666	0	0	1729	0	0	0	2525	0	1307	1908	0	0	0	1268	14914	0	694	0	0	0	0	1671	995	0	1960	79711	12969	1958	2245	1958	0	2870	2635	0	0	0	0	893	0	0	1574	0	0	1112	0	Peptide	0.22727273	1.3636364	0.18181819
8	C22 H30 O5 N4	431.22888	431.2294	-0.23558629	431.2288	2125	847	1573	996	0	1838	1007	1398	0	0	1406	842	0	0	0	1699	1472	0	0	0	0	998	1154	2079	1117	0	0	7508	0	1072	1758	1682	1715	1804	0	2159	2969	1142	1300	0	0	0	0	0	0	0	0	0	951	0	2068	2195	749	0	0	0	0	1722	0	0	0	0	0	0	0	0	595	2109	0	1299	0	1303	1101	1689	1137	0	0	0	1258	30967	978	0	0	0	0	0	1203	1099	633	1325	45913	0	3451	3712	2379	0	0	2020	0	0	0	1527	874	0	0	1724	0	0	1190	0	Peptide	0.22727273	1.3636364	0.18181819
10	C19 H34 O5 N4 S1	431.23227	431.23245	-0.69648474	431.23196	0	0	0	0	0	1365	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8347	0	0	0	0	0	0	0	0	0	0	41109	3275	0	974	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2631579	1.7894737	0.21052632
14	C25 H34 O6	431.24283	431.2433	-0.25862977	431.2427	14327	13945	12708	11219	5976	5747	21526	15178	9391	3678	8243	14277	5610	3541	11575	19339	35823	2651	7003	6396	4453	7358	11454	13481	10322	6486	21294	9758	12932	17872	11596	25568	11754	6443	5976	14429	12013	15597	35292	6013	7063	8991	0	0	0	7101	10926	0	15219	13117	17622	13397	7635	0	9832	9138	9113	9872	8438	16299	0	5802	6843	6483	7093	4402	6473	40506	0	6485	10890	6470	9612	20982	23377	18485	0	9804	21690	0	15136	9617	11925	4928	17457	8326	21866	3829	6805	31196	9414	8559	12102	5981	3312	0	11894	16415	8953	14434	16239	13476	10738	14916	0	11382	8566	0	16872	4140	Lipid	0.24	1.36	0.0
10	C19 H34 O7 N4	431.25003	431.2506	-0.23397338	431.24994	34559	28661	36087	27901	0	5597	0	0	0	6744	21135	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	126523	0	0	0	0	0	0	0	0	0	0	0	0	0	833	0	0	0	0	0	0	0	0	29540	29175	0	0	0	0	0	0	0	0	0	0	0	0	962	0	0	0	0	0	0	0	1105	0	0	0	0	0	0	720868	0	0	0	0	0	0	0	0	0	0	3401633	1229978	0	107941	16922	0	36465	26265	0	0	0	1194	0	0	0	0	0	0	0	0	Peptide	0.36842105	1.7894737	0.21052632
12	C19 H34 O7 N4	431.25003	431.25064	-0.13184746	431.24997	7327	5430	7047	5884	0	0	0	0	0	0	7237	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48311	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8191	6082	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	301867	0	0	0	0	0	0	0	0	0	0	746133	353744	0	42954	4140	0	8573	8669	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36842105	1.7894737	0.21052632
4	C19 H34 O7 N4	431.25003	431.2508	-0.05199982	431.25	10707	10545	8972	11354	625	23946	0	1245	319	0	6438	298	996	0	0	2463	0	2123	791	861	0	1229	0	927	828	0	0	79411	1173	411	698	0	3469	0	0	1247	1759	462	1198	0	0	2693	0	0	0	0	0	0	1558	1628	10687	9281	1128	0	423	0	0	1882	0	0	752	0	906	456	1143	1486	0	0	0	0	0	786	0	714	0	0	0	511	0	865287	381	0	0	0	395	592	1019	732	668	465	820068	321830	2247	50826	8980	0	9819	10859	745	0	0	523	0	0	0	1044	0	0	505	673	Peptide	0.36842105	1.7894737	0.21052632
2	C19 H34 O7 N4	431.25003	431.25073	0.02670398	431.25003	1120	1579	969	807	0	0	0	483	534	0	0	643	0	339	1024	636	760	449	665	0	0	767	863	1025	602	0	0	23677	1042	516	587	0	1001	702	0	0	782	304	920	0	0	0	0	0	0	0	0	0	562	690	0	820	295	0	427	0	0	1358	0	0	548	0	411	0	0	644	0	950	0	0	0	674	670	0	0	650	0	463	899	233432	751	0	0	0	0	0	1119	630	791	1433	24856	10179	2462	6343	306	0	1249	1245	0	0	0	843	959	0	0	684	0	0	794	1132	Peptide	0.36842105	1.7894737	0.21052632
6	C19 H34 O7 N4	431.25003	431.25067	-0.052585036	431.25	56724	57650	54383	51637	1102	49455	459	1603	0	6654	38412	497	0	1084	1445	4296	0	2271	935	0	0	2251	0	1100	992	0	573	377212	2965	2549	1976	1873	7610	1440	0	886	4032	0	0	0	0	6359	0	0	0	0	0	0	4696	704	58651	52568	1585	0	853	0	498	1655	0	0	1117	0	826	0	0	2177	718	0	0	0	0	1176	1274	0	0	1087	0	734	0	1812434	0	0	0	0	0	0	806	1334	872	0	5482964	2629346	2602	216783	41074	0	53084	51602	638	0	0	1495	1744	0	0	2245	461	0	699	825	Peptide	0.36842105	1.7894737	0.21052632
2	C26 H38 O3 S1	431.26144	431.2617	-0.5973427	431.2612	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45532	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44606	0	0	0	0	0	0	0	0	0	0	80454	13788	0	481	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.115384616	1.4615384	0.0
14	C23 H34 O4 N4	431.2653	431.265	-0.45285526	431.26508	0	0	1478	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30354	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	145137	0	0	0	0	0	0	0	0	0	0	40802	9972	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.17391305	1.4782609	0.17391305
22	C21 H38 O7 N2	431.27518	431.27557	-0.019868935	431.27518	0	0	0	0	4652	1984	0	0	2371	0	0	0	0	94298	0	0	0	14881	2824	0	0	0	0	0	0	0	0	0	0	1630	0	0	0	0	0	0	0	0	1344	0	0	0	0	0	0	0	0	0	0	0	0	1865	5852	0	0	0	0	0	0	0	0	0	0	0	0	8269	0	0	0	0	0	0	0	1551	0	0	0	0	0	8489	0	0	0	0	0	0	0	2103	0	0	0	0	0	0	0	0	0	1377	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	1.8095238	0.0952381
18	C26 H38 O5	431.2792	431.2796	-0.20416303	431.2791	3477	2246	2984	3922	2135	0	5148	3810	3831	0	0	3367	0	2709	2462	6778	15695	2193	2278	0	0	0	1363	4105	3090	1533	9381	2699	3755	5745	3844	2475	6781	0	0	5981	5496	2221	16164	0	1522	2820	0	0	0	1679	1903	0	5386	4210	2700	5067	2274	0	1804	5253	3226	3524	0	2103	3679	0	1770	0	4896	1785	0	22823	0	1458	0	1809	2487	6039	22415	6112	0	2077	10136	3037	4210	2149	3846	0	5417	3119	11105	1094	2782	16905	3684	3655	2746	0	0	0	3385	2786	3076	7477	11273	6606	3327	1720	1380	3615	6311	0	5480	0	Lipid	0.1923077	1.4615384	0.0
4	C20 H38 O6 N4	431.2864	431.28677	-0.29328227	431.2863	0	0	641	0	0	724	0	0	0	0	0	0	0	0	0	0	0	541	0	0	0	0	0	0	0	0	0	6047	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	674	461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	88281	0	0	0	0	0	0	0	0	0	0	41102	9665	0	4398	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.9	0.2
12	C20 H38 O6 N4	431.2864	431.28665	-0.13867979	431.28635	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11024	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45144	0	0	0	0	0	0	0	0	0	0	156494	56478	0	4218	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.9	0.2
8	C20 H38 O6 N4	431.2864	431.2869	-0.22589242	431.28632	4478	4948	4745	3612	0	4910	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45209	0	0	0	0	0	0	0	0	0	0	0	0	0	1200	0	0	0	0	0	0	0	0	4865	4701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	493045	0	0	0	0	0	0	0	0	0	0	326101	106294	0	37407	1294	0	5340	2825	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.9	0.2
6	C20 H38 O6 N4	431.2864	431.28683	-0.37245727	431.28625	2576	2045	1485	2099	0	5770	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40904	0	0	0	0	0	0	0	0	0	0	0	0	0	777	0	0	0	0	0	0	0	0	2251	1088	0	0	0	0	0	839	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	250907	0	0	0	0	0	0	0	0	0	0	155655	57276	0	16471	1479	0	1564	2427	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.9	0.2
10	C20 H38 O6 N4	431.2864	431.2869	-0.09818643	431.28638	6067	2965	5055	2358	0	9991	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1554	0	0	74723	0	0	0	0	1488	0	0	0	0	0	0	0	0	1500	0	0	0	0	0	0	0	0	3854	4740	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	422188	0	0	0	0	0	0	0	0	0	0	464251	123688	0	33725	2750	0	4579	3478	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.9	0.2
22	C27 H42 O4	431.31558	431.3159	-0.27217877	431.31546	4151	3678	4913	3315	0	1802	13510	8211	0	0	0	4780	0	0	5069	8953	37884	0	0	0	0	2196	2766	3144	6334	0	13991	1278	9471	16646	10416	15075	3934	6475	0	20860	2687	8242	40827	0	0	2692	0	0	0	0	0	0	9443	13044	5716	3534	1802	0	0	0	3241	9030	0	1887	9436	0	0	1318	5259	0	2464	50319	0	0	2622	2608	10096	19032	29268	16958	0	2490	8583	0	2936	0	1871	0	2660	3507	28708	2488	4856	50395	2427	0	2665	0	0	0	4029	5029	1606	2547	2016	6905	4781	0	0	6642	4080	0	9891	0	Lipid	0.14814815	1.5555556	0.0
26	C19 H13 O11 N1	432.05612	432.0566	-0.20091404	432.05606	3899	2614	4625	6009	8576	6139	0	0	8283	4558	0	0	19455	3504	0	0	0	17457	13490	0	6300	12438	5563	0	0	0	0	0	0	0	0	0	1676	0	6331	0	1611	0	0	0	5212	0	0	0	0	0	0	0	0	0	4851	3993	4778	0	15263	7452	0	2153	0	0	0	3355	19996	10928	0	14595	3263	2034	0	0	0	0	0	0	0	0	0	0	6313	5693	6019	0	0	0	11999	0	5752	3634	3624	5775	0	0	0	13209	10592	0	4674	0	3779	5873	8444	0	0	0	0	2308	4482	0	0	22688	Phytochemical	0.57894737	0.68421054	0.05263158
18	C19 H13 O11 N1	432.05612	432.05673	-0.09995352	432.0561	4767	3387	1741	2708	5992	2926	0	0	9256	2316	2434	893	20211	4370	0	1697	0	14297	9070	2705	6720	17061	2840	0	0	0	0	0	0	0	0	0	2075	0	8854	0	2509	1415	1560	0	12585	2555	0	0	0	1232	9776	482	0	0	5449	7360	6681	228	15781	7582	2989	1108	1721	1375	0	2779	20285	14738	2619	10953	2581	0	0	0	1530	0	0	0	0	0	0	1120	2856	13830	5147	4290	1454	0	11718	4290	3955	6167	4474	6512	0	0	5470	26326	16322	0	3708	3432	6191	15024	9959	2243	0	1646	4493	2105	8149	0	1211	15931	Phytochemical	0.57894737	0.68421054	0.05263158
28	C19 H13 O11 N1	432.05612	432.05658	-0.16768292	432.05606	6689	4654	7678	7294	9277	5282	2665	0	10730	7278	2803	1308	22701	5050	3074	2623	0	22272	20431	3868	8856	17265	5575	3410	2656	0	1912	0	0	0	0	0	2378	0	10646	0	3175	3723	1733	2433	7002	3772	0	0	0	4224	5490	0	0	0	6150	5713	9430	0	15548	8582	2996	3175	1326	1454	3165	3383	18636	14863	3859	15633	5091	2744	0	0	0	0	0	0	0	1165	0	1000	9442	8749	7278	1566	0	980	13022	5684	7548	5906	5510	5231	0	3108	3600	16226	14523	0	7672	7049	4759	7806	9356	3171	1098	2923	4521	3191	8241	0	2918	22775	Phytochemical	0.57894737	0.68421054	0.05263158
16	C19 H13 O11 N1	432.05612	432.05676	0.010792959	432.05615	0	2517	1704	5741	5442	1723	0	0	9539	6051	2833	0	19587	3030	0	0	0	8607	7731	0	4361	14742	1634	0	0	0	0	0	0	0	0	0	0	0	5341	0	0	1434	0	1862	10928	2419	0	0	0	1549	6052	407	0	0	3696	3498	3324	0	13988	9975	2487	0	0	0	0	3156	19635	12699	2464	11016	3821	0	0	0	0	0	0	0	0	0	0	0	2245	10423	2219	3565	0	0	8181	2244	2828	4347	3433	0	0	0	0	24268	8849	0	5500	2359	7351	11056	7876	3116	0	0	0	0	4336	0	0	19306	Phytochemical	0.57894737	0.68421054	0.05263158
14	C16 H17 O13 N1	432.07727	432.078	0.048409287	432.0773	0	2353	0	0	7062	2495	0	0	11978	0	0	1747	17779	2490	1032	0	0	6223	8189	0	1399	0	1145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4974	0	0	0	0	0	0	0	0	0	0	1855	0	10656	15479	3388	0	0	0	0	0	20909	11693	2794	8702	1430	0	0	0	0	0	0	0	0	0	0	1200	0	0	0	0	0	0	11740	0	0	3356	0	0	0	0	0	0	0	0	1727	2993	7362	12937	13710	0	0	0	0	0	6033	0	0	14278	Phytochemical	0.8125	1.0625	0.0625
18	C16 H17 O13 N1	432.07727	432.07803	0.22414345	432.07736	2340	0	0	1602	5971	4558	0	2029	8444	8356	2983	0	14152	5406	0	0	0	8145	6163	3880	6352	11097	1198	0	0	6418	0	2767	0	0	1472	0	0	0	9929	0	2321	0	0	12159	6450	1916	0	0	0	3457	8608	0	0	0	3224	0	4991	0	8121	9873	3234	0	1734	2052	0	7920	7472	7935	3165	5052	2569	0	7077	6211	10833	0	0	0	0	0	0	0	2093	13801	0	4731	0	3437	5976	2597	1565	2354	0	2135	0	6001	2190	19284	23591	0	2305	0	4650	6097	7519	0	0	1752	1920	0	6946	0	1771	9960	Phytochemical	0.8125	1.0625	0.0625
22	C20 H17 O10 N1	432.09253	432.093	-0.1629288	432.09244	14779	15572	12812	10836	15333	12737	2478	4396	24111	31812	9145	2441	28092	4773	8453	5482	2717	23337	17587	15772	21525	47116	7005	6812	3928	3977	1417	4781	3055	2551	0	0	5064	2976	37334	2314	6549	5136	2558	20093	18982	6414	0	0	543	23056	37331	0	4628	0	11182	11523	9451	685	24314	21283	8904	3459	5612	3573	3092	13672	35062	22066	8274	16771	5641	3462	7958	3905	8292	2480	1141	0	3569	1269	535	3259	10700	29561	7997	17913	0	9581	21330	12582	9846	5533	6726	5510	8229	5593	7431	57612	65025	0	15229	11761	13836	17580	17468	4858	2711	4351	21586	3894	12485	0	3862	33539	Phytochemical	0.5	0.85	0.05
26	C20 H17 O10 N1	432.09253	432.09296	-0.22936349	432.09244	6082	6450	4862	5828	5223	6269	0	0	11503	20958	4424	0	14703	2717	0	0	0	13780	8453	7347	11943	24023	0	0	0	0	0	0	0	0	0	0	0	0	18438	0	1961	0	0	10236	7657	0	0	0	0	8679	18066	0	0	0	5522	6654	8401	0	10466	6922	3403	2906	0	0	0	6111	15613	8128	0	7307	2624	2245	0	5860	6516	0	0	0	0	0	0	2857	5444	12360	3839	7827	0	2593	11435	0	3919	2421	0	2861	1621	3654	0	23936	33701	0	4613	6570	8390	7336	5895	0	0	0	8520	1829	0	0	0	18877	Phytochemical	0.5	0.85	0.05
28	C20 H17 O10 N1	432.09253	432.09293	-0.15194367	432.09247	5662	5563	4544	5723	7382	4338	1931	0	8000	20309	4648	1387	11232	4315	0	2074	2227	9106	9011	6528	12742	18042	3456	2756	0	2787	1449	1654	0	0	0	0	3080	982	21108	0	3170	2073	1438	6087	8235	3493	0	0	0	8568	14114	0	1645	0	6315	5373	5135	0	12146	4707	3067	2244	1696	1995	1708	6959	15853	9964	3617	7681	3852	1966	4284	7015	6085	0	0	0	0	1022	0	0	4743	14657	4647	3518	1863	3007	8702	5094	4127	3859	2916	2599	3182	5480	4330	21252	31449	0	5309	5607	3904	5379	6018	2440	1694	3303	7297	2663	2889	0	2325	14243	Phytochemical	0.5	0.85	0.05
18	C20 H17 O10 N1	432.09253	432.09302	-0.16525838	432.09244	37508	44382	33840	33566	48755	25477	10976	6948	48174	105028	43922	9152	91392	17869	12888	13492	12081	62479	54274	73893	81375	119148	20328	15864	6165	19388	9449	22982	8115	6270	5564	7502	16412	8004	133968	4704	17804	12788	10821	71270	65374	16071	1406	0	375	54305	85987	537	9434	4646	32047	29935	33646	0	61439	35568	20277	16370	10075	11074	10185	54171	92692	44989	15457	54428	18469	10142	30075	34548	43068	5083	3431	2292	8227	0	327	7050	25785	80393	20671	50342	12880	35291	50379	24624	24040	17928	20757	18620	19023	29775	24001	125150	146515	0	39072	28970	38789	47634	39629	12431	5998	15600	41004	18513	30010	0	9623	76576	Phytochemical	0.5	0.85	0.05
20	C20 H17 O10 N1	432.09253	432.093	-0.14925262	432.09247	20675	25327	18719	20871	25565	19716	4207	5657	35987	70986	22032	7716	52489	13796	8360	8238	6560	35689	37172	34040	52613	72882	12170	10207	7440	7604	5256	11454	4019	2960	5578	7329	9599	5677	74539	3131	10102	6537	4717	38085	42750	12967	1589	0	352	38684	62530	728	4611	2758	24063	26679	23210	640	45475	30778	15162	5418	7074	8362	8575	31286	58762	36428	12348	41678	15744	5482	16385	18139	23059	2707	2733	2399	1710	3375	693	6280	19342	55332	12636	35032	5714	21653	40212	15457	16154	11610	16711	16187	15445	22417	13026	81569	86776	0	19695	25121	19842	26053	27852	12167	4768	6373	38961	9521	21264	0	7019	58779	Phytochemical	0.5	0.85	0.05
24	C20 H17 O10 N1	432.09253	432.09296	-0.16175807	432.09244	7820	7810	7149	7862	8796	4034	0	1143	10729	23439	5539	3258	21282	3532	2808	6512	0	14911	13500	8423	17257	31682	6541	1006	2004	0	1792	2579	0	0	0	0	1792	1148	21919	0	1859	2064	1152	11903	9978	1915	0	0	0	13699	23760	0	0	0	7919	7536	8456	0	14233	9355	3250	1217	987	1950	2376	12975	21943	12830	3349	11785	4768	2683	4193	4706	5380	0	0	0	1630	0	0	909	8311	17209	5156	11177	1552	3864	11929	6090	2768	3211	3626	5150	0	2942	6153	28993	44679	0	8665	7669	7424	9630	6872	3412	1229	3392	14082	3859	5286	0	2992	21977	Phytochemical	0.5	0.85	0.05
10	C20 H17 O10 N1	432.09253	432.09314	-0.08149192	432.0925	22218	25224	25234	23658	36140	15340	8160	5138	45554	66648	55488	8938	66706	26662	6226	7640	7478	26374	27516	44112	82460	74394	10428	6402	2442	13824	4264	19720	3922	0	4610	3962	8994	3566	104700	3732	9558	6448	7188	39768	65928	10296	0	0	0	33674	64668	0	5966	6966	21002	22612	18282	0	36360	30482	19464	10078	0	9032	0	42280	63556	44406	14620	36760	9344	11280	42166	33518	62560	2444	3172	2658	8214	4070	0	4426	16954	42442	12594	27254	3206	10902	33958	13438	14342	10750	10956	23512	0	10728	16700	76234	59536	0	26458	22854	39348	38056	43936	11636	6058	0	38756	6950	34056	0	2764	63324	Phytochemical	0.5	0.85	0.05
14	C20 H17 O10 N1	432.09253	432.0931	-0.09992175	432.09247	38871	38505	31718	34102	41275	23422	9487	11285	49627	121054	73512	8894	77060	16429	13637	10061	11072	51203	47083	71844	100127	138128	18048	21603	9253	25097	8068	24816	3154	4657	6166	0	17554	5207	157286	4701	15882	11264	10453	73010	116952	19023	0	0	0	55916	98813	0	6824	6376	41694	38549	25702	0	54080	38459	15824	13922	11267	11603	0	65021	100708	57179	19295	58335	21147	10708	50031	46013	67850	3540	4217	2015	5055	6310	0	9210	20346	110564	19328	53311	6592	32766	49619	19938	23345	18893	17103	29762	16085	27843	30349	130078	94126	0	40077	31679	36238	53363	45345	14145	8801	17085	54850	14591	34159	0	11334	79577	Phytochemical	0.5	0.85	0.05
16	C20 H17 O10 N1	432.09253	432.09305	-0.13023533	432.09247	39436	41507	39442	43394	49383	25259	8622	8753	59340	148188	67776	10451	90318	19857	17194	15447	10259	64823	55450	83378	98618	125332	17442	17747	10411	22360	9332	34244	8108	7410	8524	7857	18032	4622	190607	6777	20225	9449	11683	86855	98163	16672	1140	0	357	67447	98765	0	9357	7316	41112	34899	32918	0	64271	49451	21005	19929	13259	11920	10597	61288	94346	60218	20772	67906	27798	12647	53458	48744	53878	6176	3408	1666	7815	4928	0	7848	27569	100424	21123	60468	11141	39700	47748	24171	30939	22145	21469	0	20516	28854	0	132994	149087	0	50642	44166	36983	47243	57140	17884	8447	15931	57387	27256	41467	382	11978	88637	Phytochemical	0.5	0.85	0.05
28	C17 H21 O12 N1	432.11365	432.1141	-0.2017959	432.11356	4949	5193	6833	4491	8940	11199	0	2253	9936	9128	7611	3750	10002	2979	4206	0	3376	13004	9561	14034	25283	3030	4891	4729	0	0	0	0	2464	0	1527	1684	3256	2789	11171	2642	3994	2761	2395	4073	12087	4332	0	0	0	10644	26185	0	2119	0	6213	6677	8998	0	7545	5990	3182	1940	2753	3578	0	12062	10897	7050	4067	5151	5671	3278	13509	7142	10830	2424	2388	3040	2599	2484	0	3507	2131	2609	2718	10316	1354	1347	5837	2555	0	3698	4921	1494	0	3393	2337	4671	0	0	6568	7436	8576	2271	2815	3744	3433	0	17097	3104	6440	0	0	15561	Phytochemical	0.7058824	1.2352941	0.05882353
6	C17 H21 O12 N1	432.11365	432.11435	-0.14137544	432.1136	5922	5556	3755	6922	12059	4569	1320	3315	13136	3190	5439	4495	25670	3076	3122	4318	4295	16508	13466	4700	8014	8109	5722	3293	0	0	1242	0	2685	1536	2374	2477	4253	1750	5208	2393	2824	2320	4511	2719	4182	7579	0	0	0	2829	6498	0	1791	2976	6230	4489	8064	0	17152	19586	6675	3081	1875	4211	4471	1804	23366	16250	4923	12451	5787	4362	0	0	2567	1646	2761	1269	3356	1939	0	2326	3768	0	2723	1450	1209	0	21903	8598	3870	8033	6178	3557	0	1672	5112	5179	6580	0	4068	6693	8716	18202	23351	6000	2275	3711	0	4450	13993	0	1328	22192	Phytochemical	0.7058824	1.2352941	0.05882353
24	C17 H21 O12 N1	432.11365	432.1142	-0.17818032	432.1136	2702	3093	4504	4131	5290	5576	0	1908	6812	2856	7368	5181	7437	0	2579	0	3921	9010	3790	5097	10133	2258	4204	2228	0	0	1765	0	0	2163	1511	1371	3044	1864	2223	2237	2807	1521	1720	2505	4315	4036	0	0	0	6592	22696	0	1161	2032	2180	0	4618	0	5733	4798	2354	0	4773	2609	1832	7679	3225	4366	3095	3210	2936	1750	4863	0	3781	1226	968	2681	4211	1397	0	2246	1702	2196	2004	5353	0	0	6401	0	0	4561	3244	0	0	1630	0	2401	0	0	3569	3683	9331	2487	0	2259	3206	2003	14009	1356	3167	0	0	8860	Phytochemical	0.7058824	1.2352941	0.05882353
26	C17 H21 O12 N1	432.11365	432.11417	-0.18304983	432.1136	4093	4568	6730	3850	6520	6320	0	0	8607	3759	5762	3382	7745	0	0	0	0	11863	7660	5557	15072	2354	0	0	0	0	0	0	0	0	0	0	0	0	7745	0	2370	0	2891	3123	8102	0	0	0	0	8395	20719	0	0	0	3726	2321	5253	0	6319	0	0	0	0	0	0	8375	7285	6356	0	3709	4320	0	9040	2018	8786	2727	0	0	0	0	0	0	0	0	0	4937	0	0	6338	0	0	0	2799	0	0	0	0	0	0	0	6383	0	6651	3702	0	0	0	0	11589	1622	0	0	0	13042	Phytochemical	0.7058824	1.2352941	0.05882353
26	C21 H21 O9 N1	432.1289	432.12927	-0.2160778	432.1288	7013	7467	5640	3561	5633	2628	0	0	5692	22703	7403	0	8715	2002	0	0	0	6480	8886	9693	15563	18774	0	0	0	0	0	4091	0	0	0	0	2759	0	18799	0	3119	3226	0	9944	11876	0	0	0	0	9295	14587	0	3948	0	4898	4890	3789	0	6728	0	0	2776	0	0	4130	7438	19653	8097	0	7040	2365	0	8770	12450	13665	0	0	0	0	0	0	0	5561	7393	4805	5672	0	3972	8727	0	4460	2597	3786	1476	4984	2550	4778	11434	24795	0	3813	0	4394	4614	0	0	0	0	8559	2407	5919	0	3240	17710	Phytochemical	0.42857143	1.0	0.04761905
24	C21 H21 O9 N1	432.1289	432.12933	-0.16104354	432.12885	12220	11033	9437	7695	11061	6997	1943	2786	11708	38590	11350	3468	16799	3641	4594	5767	3470	14847	12251	15706	22006	25390	4796	5498	4259	17209	2815	5808	2181	2225	3285	1882	3883	2594	37472	1436	3617	3798	2657	23932	16574	4689	0	0	0	19465	27880	0	2154	1579	7622	10830	6093	0	13511	6434	3836	3592	3545	934	2539	16689	20303	13361	3694	12040	5588	2644	16310	21586	22904	3002	1807	0	2053	2670	0	4320	7560	18890	7321	12387	2650	10040	13405	7959	11220	6607	4494	3193	5919	7038	6255	30544	33781	0	10787	9038	7879	8737	6628	3800	3090	3860	16892	7462	7162	0	2060	23528	Phytochemical	0.42857143	1.0	0.04761905
16	C21 H21 O9 N1	432.1289	432.12943	-0.14194031	432.12885	110442	111645	98782	106509	83970	63824	35868	49680	99810	380383	173351	28126	125653	45607	37323	53065	40701	118982	123434	250921	286323	240104	48628	63778	48151	168460	32505	126001	42330	35462	41553	40578	68026	38411	456743	41326	68042	33465	37933	228680	181786	42097	2470	0	0	163717	189357	618	42947	37961	94900	108023	61026	505	100634	78212	42078	63302	52315	39981	56735	151613	147202	92988	36532	110286	57397	36799	196465	265075	241208	38376	35921	25340	33143	37513	0	31581	57377	158282	46485	119319	46771	141452	90369	51000	62458	47518	51832	78478	81993	115174	116112	189392	267387	0	107839	103507	70756	70863	70606	51685	31814	55808	111543	58675	61589	0	46371	160511	Phytochemical	0.42857143	1.0	0.04761905
12	C21 H21 O9 N1	432.1289	432.12952	-0.10529657	432.12888	65892	70751	55675	60347	46860	33198	23955	36948	57682	213258	126847	26384	73202	28483	25898	41785	35464	69105	69653	164227	195912	147645	36104	38151	15674	104947	20822	78408	30259	25121	26456	25889	38963	28957	289556	25857	36595	29552	37349	127516	187288	23790	712	0	0	104239	134194	0	31625	33143	62334	58349	38576	231	66704	45892	22917	48461	39874	37277	36749	106728	106424	52168	19020	67460	35388	38772	152666	174074	213500	27359	24678	24384	20997	28281	0	22520	40008	83817	31173	82911	30671	77929	53015	25290	40601	23187	27568	73825	38544	61075	64625	121423	126790	0	75261	70384	52088	44186	43880	38117	21024	35458	108513	36576	47141	0	28978	85192	Phytochemical	0.42857143	1.0	0.04761905
10	C21 H21 O9 N1	432.1289	432.1295	-0.14586657	432.12885	45610	48452	41825	36008	34972	20520	17578	19882	39338	154662	86319	15580	55200	16791	16889	22263	17253	35709	39640	104049	132884	87819	23621	23979	13009	70048	15586	46784	19151	15171	13904	21310	28872	14473	185102	17665	25748	16030	23099	91329	100057	15914	728	0	0	72155	88559	0	19226	16556	44898	38899	26555	0	46939	35054	17158	30570	23057	27175	20127	60299	57487	41261	16352	43283	21043	28014	102276	96270	123475	21918	17370	16137	14763	19633	0	11883	28251	50913	22447	49071	17252	48257	34550	18407	22945	14738	15784	31683	24205	38741	38170	71742	88394	0	43547	38610	31894	36206	32000	25802	13314	32752	50561	26248	23562	0	16645	56265	Phytochemical	0.42857143	1.0	0.04761905
14	C21 H21 O9 N1	432.1289	432.12946	-0.13221517	432.12885	92677	97729	94566	92105	69007	57018	38725	49053	79958	308497	164791	30592	114477	47019	42003	52894	45000	87494	88236	213610	245557	214389	53060	57657	37198	164141	29390	132139	32568	40326	32702	47846	50535	28646	377066	37875	47205	39027	42862	189843	185450	39908	0	0	0	143783	185233	0	46259	37432	91656	83587	50432	0	94488	64627	31882	56911	57259	50205	52636	144121	123512	85173	30308	84368	50520	43711	241008	253955	214775	34298	29105	29069	27531	35772	0	33255	52654	170735	46776	103464	45932	107072	75718	48206	57885	37964	41250	71327	78510	86237	84375	168178	190678	0	92879	91481	56855	63334	59482	53727	26511	62717	93632	47847	57975	0	44231	111960	Phytochemical	0.42857143	1.0	0.04761905
22	C21 H21 O9 N1	432.1289	432.12933	-0.2352276	432.1288	20487	24830	17490	19684	27124	20997	3407	7690	22248	79316	35329	8632	31945	9752	12980	14955	5141	29476	24219	44692	59152	58413	13544	16890	8500	34193	6107	25458	6715	5331	6355	4654	11386	5106	80830	4396	11421	9961	7137	47540	36890	9149	0	0	0	55033	51541	0	7356	5853	20845	23386	15352	613	30998	23863	13593	10334	10654	6301	13534	38492	39323	24998	13778	27806	13576	5186	44217	52246	52522	6799	3332	2187	5351	7994	360	5105	20150	40115	14034	37552	8741	31492	25312	15727	13887	13205	9784	7321	15966	19417	15676	58337	81110	0	25309	22854	17630	20028	24935	9418	4654	13984	38966	9849	18464	0	10705	50397	Phytochemical	0.42857143	1.0	0.04761905
20	C21 H21 O9 N1	432.1289	432.12933	-0.19513917	432.1288	50961	55265	48328	44843	52508	42287	13706	19493	56020	196065	91015	12744	84276	34478	20024	25258	11628	62845	70079	118711	129810	123954	28584	36906	24439	72170	10201	63734	17755	10807	15990	19845	29446	16182	210689	13642	34783	20544	14941	103987	91919	24988	2948	0	0	97382	115166	689	18762	12583	48534	48721	32873	457	64140	41758	20808	28350	22352	13568	27868	73182	86923	53673	17425	59110	30557	12050	84569	120264	110771	12115	13515	7460	13457	13900	287	16397	33003	74460	20745	62410	18111	79846	56785	31454	30432	26785	29953	28858	43670	51945	42241	111744	129942	542	51202	50985	37329	37758	44418	27108	14166	33224	75876	24806	36837	0	19479	83260	Phytochemical	0.42857143	1.0	0.04761905
8	C21 H21 O9 N1	432.1289	432.12955	-0.1302501	432.12885	26674	29657	20175	25640	21937	11335	7142	12761	22159	87282	51146	8800	36123	11722	9513	10999	7984	23159	24741	56351	78488	50135	12523	14222	4580	23879	8583	25593	9529	8021	9060	13481	14714	9897	108770	8003	16467	8508	10911	44976	66860	6692	0	0	0	36069	63531	0	11322	11271	23368	28913	13733	0	27878	22674	9715	14178	8367	14843	13299	37818	40677	25150	8599	22464	11263	16511	50993	50958	86257	8933	7480	6066	9532	7886	0	7482	18730	24884	13987	24662	7612	22020	24019	9077	12327	10977	12818	21270	0	16613	17512	44764	52112	0	25441	23850	22755	26926	21273	14982	7437	17853	26261	13228	19657	0	7169	36521	Phytochemical	0.42857143	1.0	0.04761905
6	C21 H21 O9 N1	432.1289	432.1296	-0.14989601	432.12885	8298	9367	9245	10426	8656	4243	2537	5465	12681	32968	25175	4283	18911	4516	3608	5712	4726	10087	14815	20933	30267	18692	5788	7556	1501	9170	3040	11062	4437	2328	4509	4141	5716	3920	46075	2809	4606	2933	5763	12283	29865	3871	0	0	0	14353	29831	0	7805	4038	11743	12893	6558	0	13381	9969	4804	7650	3229	6284	5493	15122	17406	12687	3140	10885	6787	5127	17710	15032	36515	3917	3686	3477	2944	3397	0	2585	6783	11191	5008	8171	3906	6465	12421	5765	5496	4350	4114	8056	0	6362	8621	23317	18119	0	8167	8010	7413	11770	12089	6466	3423	6592	11407	5430	9575	0	3579	16246	Phytochemical	0.42857143	1.0	0.04761905
24	C19 H21 O5 N5 S1	432.1336	432.13416	0.3334509	432.13376	3422	3757	5765	3381	0	0	4223	3327	0	0	0	28030	0	0	74892	4726	132692	0	0	0	0	0	3513	0	2928	0	7695	0	10642	20205	1731	11258	0	10415	0	24727	0	64744	140453	0	0	0	0	0	0	0	0	0	2341	5459	3406	2111	0	0	0	0	0	0	0	0	0	0	0	0	1824	0	0	129678	0	0	0	8934	8998	10592	39531	11562	0	10698	0	0	2136	0	0	0	0	0	5038	0	0	0	0	0	0	0	0	0	1504	4336	0	0	0	2296	18410	0	0	6655	0	0	7931	0	Peptide	0.2631579	1.1052631	0.2631579
22	C19 H21 O5 N5 S1	432.1336	432.13422	0.3229017	432.13376	2188	6594	2368	2787	2069	2074	1997	1887	0	1748	3495	20093	0	0	44837	0	70625	0	3271	4603	4716	1661	2456	2426	3343	3494	0	0	5690	9002	0	5684	1245	8950	2571	7764	1572	55615	63903	3793	3086	2660	0	0	0	3472	3728	0	2671	3316	2967	2736	1753	0	3018	0	2303	3368	1721	2370	3689	5902	0	2744	3153	0	0	67483	2376	3798	2206	9132	2229	4681	22760	3280	0	6786	2088	1505	1382	2858	0	2551	1627	2528	2061	1847	0	0	6038	0	3754	0	2423	0	3470	2930	1876	0	0	1684	16083	3916	3257	5129	0	0	3293	3121	Peptide	0.2631579	1.1052631	0.2631579
28	C18 H25 O11 N1	432.15002	432.15048	-0.19988649	432.14996	8293	6587	8854	7786	6195	7142	3035	9518	7361	19617	8514	5657	7117	2111	10075	4829	5567	10498	9638	27097	28245	5049	5840	9172	2356	5115	3668	4505	10153	8223	5670	6003	6487	5322	20410	6961	5768	4648	4884	11213	13082	4425	0	0	0	13897	23697	0	7126	11458	9714	7297	5512	0	5171	4535	2831	8219	7390	6023	5628	12488	6842	5449	3072	5210	4076	5163	15788	19226	20261	9733	7717	10545	7296	5981	0	6387	4711	1991	3355	9189	3799	6477	7905	4185	2075	2071	4313	1237	3096	7351	7176	2721	3928	0	8988	8703	7911	3090	2800	5861	3518	8281	13102	4981	4819	0	2696	10227	Unclassified	0.6111111	1.3888888	0.055555556
26	C18 H25 O11 N1	432.15002	432.15042	-0.26651073	432.14993	8589	5446	7891	5915	5639	6300	2084	0	6853	20382	8168	5138	5957	0	0	6559	0	14225	5242	20762	28684	4513	8302	8004	0	0	0	3403	5721	0	6494	4177	8703	3081	14535	6993	5515	5115	3855	8963	14939	0	0	0	0	12102	23273	0	5293	6766	8197	6909	3861	0	7101	0	0	2229	5158	6138	0	8704	6397	6252	0	3743	0	3504	17878	16076	20793	7217	6471	10248	8396	3033	0	4725	2506	0	4414	9256	0	4359	6158	0	2590	2366	2904	0	3089	2444	7035	3463	0	0	8489	8186	6493	3757	0	0	3781	0	9858	2934	6779	0	0	7679	Unclassified	0.6111111	1.3888888	0.055555556
8	C16 H25 O7 N5 S1	432.15475	432.15524	-0.35598165	432.1546	2006	3357	1881	1816	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12581	0	0	1367	0	0	0	0	828	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2925	1938	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1663	0	0	0	0	0	0	0	2293	0	0	114703	0	0	34962	0	0	0	2448	2275	0	0	0	0	0	0	0	5242	0	0	2137	0	Peptide	0.4375	1.5625	0.3125
10	C17 H25 O10 N3	432.1613	432.1619	0.10330745	432.16132	7671	9689	8195	5530	3758	1976	6960	6983	5848	11839	0	5904	4133	0	8673	7306	2962	4208	8982	7278	8996	13472	11182	12879	5499	0	6858	0	3304	8527	9537	10589	9648	9012	11936	9947	9049	5528	11342	10178	7355	6374	0	0	0	0	6340	0	2419	7839	7550	6830	6816	0	11184	3632	2652	11253	6426	0	0	3766	8251	5217	4107	8236	6937	10527	0	4672	4850	12375	7144	10222	6940	8777	0	7339	2701	0	7267	3612	4427	3714	3404	0	5358	5039	6940	13908	0	13044	22003	0	7942	0	6521	6489	0	3915	3560	12809	0	10462	0	10036	3824	0	4362	9864	Peptide	0.5882353	1.4705882	0.1764706
24	C22 H25 O8 N1	432.16528	432.16568	-0.21709694	432.1652	18898	16727	25110	18775	15466	13900	6682	9463	15569	45357	28053	8530	24492	8657	8100	14427	8710	22774	19267	32842	43392	27338	16165	19298	11893	48445	3691	27515	10411	8317	10413	7456	15260	10652	55172	8161	14726	8816	5581	30043	26504	11033	0	0	0	28214	38713	0	9554	9685	18177	15467	12743	0	19958	16607	8307	10433	11369	5986	13473	24205	26226	17591	7163	18899	14499	8635	49853	63745	67405	11986	10784	5761	4874	7072	0	11865	15385	17336	11826	17659	7282	27072	21413	11367	14350	6726	9850	13097	10613	15545	21959	26183	35090	0	16873	20990	16258	17381	17373	15650	6282	10877	19609	13604	12238	0	11798	32212	Phytochemical	0.36363637	1.1363636	0.045454547
6	C22 H25 O8 N1	432.16528	432.16595	-0.18221897	432.16522	19799	20803	19231	22191	14656	11380	8788	17832	15737	70595	32270	9043	24303	8631	11378	21393	10164	19616	23057	53655	69405	34255	12240	18182	8812	27645	7982	27762	9647	12055	13074	14295	19157	14483	73916	14659	14271	12019	15629	36447	37521	10468	0	0	0	31383	43566	0	17702	13223	23353	21516	8769	0	18134	10998	7972	17067	7703	14236	17468	25596	19509	15204	4782	16475	13187	17548	37590	54860	66586	13992	10269	10546	6541	11445	0	8801	12476	20322	10132	18023	8765	25068	15342	7124	12427	9952	11265	19686	14852	17723	20789	25880	44809	0	20774	21381	11723	12394	12946	16389	8910	18030	20737	13406	10515	0	8323	19152	Phytochemical	0.36363637	1.1363636	0.045454547
18	C22 H25 O8 N1	432.16528	432.16577	-0.13896236	432.16522	150157	162507	153281	142623	108458	91359	73004	114161	102946	421006	214564	63450	146217	74863	80721	118304	78459	150024	173907	374556	390311	236896	95529	135405	87361	331917	59445	217122	112787	84215	96515	94629	120422	95309	445584	92525	133451	65950	82101	286855	215957	79048	4185	473	605	188447	167809	947	113211	95903	138108	147284	87888	766	136854	91841	59890	125143	93033	69725	119037	192061	141995	101724	56275	136335	88489	84572	299791	448723	387044	98962	79267	72596	70821	85865	275	67662	101681	136549	81231	124876	78452	178161	115215	71176	99287	87553	91462	104098	154037	181805	187113	157890	261736	751	144034	148572	85108	92127	85420	118598	62247	128440	100299	111232	77055	373	74487	154266	Phytochemical	0.36363637	1.1363636	0.045454547
12	C21 H25 O7 N3	432.1765	432.1772	-0.016805723	432.1765	513106	567427	715280	657935	467490	354042	707931	1382109	659413	786594	567678	560739	737207	252226	895915	693352	728106	883267	972403	1306995	1199931	828084	935837	1081514	678230	509027	567072	383420	1160231	799816	909616	606337	792839	639500	1204833	970643	468305	751630	841711	848287	638442	552477	23632	1484	1660	1028488	727134	0	597588	945766	525198	664595	532431	4775	1158802	619435	383035	688526	1047690	888027	727556	584442	824548	732223	300929	596279	516686	677296	847875	996795	881953	637131	752365	806350	523730	726568	0	775008	847353	458872	853884	652723	579468	413867	634280	563813	671634	373532	456969	742780	602775	739945	889284	577081	463528	5156	490569	732482	557174	452023	601935	776807	659079	918654	575464	616052	605281	0	546194	835081	Peptide	0.33333334	1.1904762	0.14285715
16	C24 H26 O5 N1 Na1	432.17813	432.1789	-0.11368716	432.1781	29641	31945	31791	27743	16179	20190	30294	33548	19608	22285	13485	33791	18202	11843	29226	48164	93813	28166	30546	30239	26300	49225	36451	44953	38294	23954	23144	16476	33803	56977	28864	29765	44096	21823	26544	65935	47345	27453	76894	31267	27184	21294	0	0	0	26361	25099	0	39120	28548	32352	26657	20741	0	21892	11644	11960	47678	26671	30741	57408	21958	13088	16911	11468	23068	20263	36585	12516	18286	16294	28062	26909	37583	23599	42616	0	18263	39218	30646	26111	22695	29109	20146	13845	13061	47240	28067	21397	63735	49999	50508	82236	20281	37186	0	34621	35242	12002	11967	11395	43296	14642	35716	19811	44762	17754	0	38534	27124	Phytochemical	0.20833333	1.0833334	0.041666668
18	C24 H26 O5 N1 Na1	432.17813	432.17892	0.009088972	432.17816	17548	18753	12724	15469	10720	14153	15925	19313	8478	12410	10878	10986	13537	8455	20133	31924	50049	11956	31330	14322	13192	21073	20231	27021	22992	4205	24791	11925	16536	14666	16042	19081	34135	24544	15991	16375	27687	13579	55276	14744	10021	14484	435	0	0	11999	12578	0	21918	16133	19352	17582	12479	0	10531	5438	9418	27558	13167	12197	21659	11106	8697	11114	6094	13325	15454	66536	9800	16222	8745	15575	14450	11081	44212	12592	0	10148	24068	16718	18575	10362	0	8609	4917	8889	21070	16918	14418	28003	39753	0	46849	9037	13509	0	18399	13547	8440	13094	5353	22791	18052	22084	7362	0	11682	0	17145	12205	Phytochemical	0.20833333	1.0833334	0.041666668
14	C23 H29 O5 N1 S1	432.18393	432.18423	-0.11039788	432.18387	224220	220914	223708	230408	177145	182009	164921	429720	281220	312487	180167	164876	372621	97559	371269	309303	227927	395959	396832	508008	470853	284405	378776	396476	277673	218957	126103	171500	395782	350591	243921	275260	329205	217920	458369	363053	276351	249335	178813	245890	165139	246354	6261	1010	679	336263	246683	571	232209	317675	218843	220765	185335	1439	533592	237611	128957	275420	391174	157348	405510	244385	306715	311416	136195	226392	207839	147478	257312	313375	182611	225371	238065	385397	222270	221231	319	231528	239806	205079	238134	183408	170533	135914	272075	195583	205757	152548	191921	142093	180123	228314	382503	145533	217413	2908	242127	348101	194952	175147	227850	342281	181387	398637	241510	191855	224228	622	167003	288916	Organosulfur	0.2173913	1.2608696	0.04347826
16	C23 H29 O5 N1 S1	432.18393	432.1847	-0.047740873	432.1839	364733	373501	379303	400410	280480	285218	239624	516661	412087	584370	266974	234028	577462	155115	499030	396573	210889	614999	616417	734227	606744	377473	484564	521402	378191	222961	187288	206672	506834	437451	401904	389412	447307	323462	763888	455233	432592	331759	175306	421929	189589	293737	8138	1752	1114	411573	238802	1171	398694	460177	403586	353448	294986	2211	824158	325225	197427	368340	408245	172059	485432	292768	472457	441525	160611	335473	290916	163161	243859	425889	212863	426611	384949	492534	251930	342046	652	324988	329960	211890	275671	221885	268148	232284	346891	257163	265734	190112	286176	177972	261897	395274	599958	200393	336747	4082	369319	467037	255757	198507	259127	485323	242005	448326	228956	400571	310451	1309	245068	494438	Organosulfur	0.2173913	1.2608696	0.04347826
6	C19 H29 O10 N1	432.18643	432.1871	-0.16056201	432.18634	30566	29442	26370	23410	16048	11700	17660	44400	20484	27068	12156	19322	27534	6408	24768	33648	21864	30268	31414	31364	40995	28560	24008	38254	18458	15813	16676	0	33890	28394	29666	27682	30498	27168	37148	36834	28102	22522	27788	21854	17034	19402	0	0	0	29446	30416	0	29622	29504	24144	24844	14892	0	40662	22482	13430	29286	30984	22470	30074	18882	25218	19350	11494	24390	21392	28684	16374	17932	17224	21086	28320	30200	27891	24476	0	18840	17348	12472	16336	14682	20398	8910	27600	18394	15858	15248	19554	31785	20178	34330	42502	17428	20366	0	25108	28864	13388	20564	23812	32916	16230	42422	0	29626	19440	0	13750	32266	Lipid	0.5263158	1.5263158	0.05263158
14	C25 H30 O2 N1 S1 Na1	432.19678	432.19708	-0.21664779	432.1967	8496	0	0	8859	3495	0	8376	18549	4374	0	0	0	0	0	8409	14706	0	1351	0	0	12234	0	7578	15366	12243	0	5616	0	32127	12048	18737	0	20985	19773	5427	15033	18672	12574	5301	7869	0	0	0	0	0	7245	0	0	6681	12609	10569	0	0	0	6957	0	2753	0	0	0	0	5694	5151	3897	3102	5231	7202	7063	0	6156	0	13881	14508	0	7246	20580	0	0	7275	0	3972	0	4371	2874	0	0	4374	3900	0	0	6298	13397	11907	0	0	0	0	0	0	0	0	10842	12349	0	0	0	2838	0	1097	0	Organosulfur	0.08	1.2	0.04
8	C18 H29 O9 N3	432.19766	432.19827	-0.043104753	432.19763	4442	3560	4115	6046	2127	2400	3190	2758	3233	1248	0	4231	4573	943	6497	8114	3500	2617	4558	2405	1285	6556	5891	5222	4981	0	3972	2437	6461	4053	6293	6156	6267	4570	2427	5185	7903	5052	5701	1452	0	2307	0	0	0	2501	0	0	6826	4673	3343	4683	1638	0	4441	1115	1639	5542	1747	790	6250	0	0	3627	0	3450	2113	4726	0	0	0	7285	5504	4478	1967	4700	0	3280	4540	0	2677	1646	1367	0	2529	0	5486	2946	3731	5823	21759	12767	11691	0	0	0	6828	5058	1530	2166	2142	6560	5069	2506	0	5996	2331	0	3899	3718	Peptide	0.5	1.6111112	0.16666667
4	C17 H29 O8 N5	432.2089	432.2098	0.32672518	432.20905	0	0	0	0	0	423	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	189	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	678	0	0	292	0	0	617	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35300	0	0	0	0	0	0	0	0	0	0	3822	1980	0	1887	0	0	0	0	606	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47058824	1.7058823	0.29411766
2	C17 H29 O8 N5	432.2089	432.2098	0.047142763	432.20892	1758	1607	1924	2012	0	0	0	825	671	514	3628	0	557	0	539	297	645	778	0	0	0	612	498	1147	0	0	0	47994	1057	0	652	0	1184	530	0	0	0	0	1091	0	0	0	0	0	0	0	0	0	0	404	1667	2379	586	0	0	0	0	734	0	0	0	0	487	380	0	552	814	817	0	0	0	994	0	778	0	0	0	0	586	144127	0	0	0	0	0	254	593	895	666	0	22800	10647	1604	12071	0	0	1778	2121	0	0	464	0	544	0	0	668	0	0	551	0	Peptide	0.47058824	1.7058823	0.29411766
24	C24 H33 O4 N1 S1	432.2203	432.22098	0.017496025	432.2203	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1553	0	0	0	0	0	1559	0	0	0	0	0	0	1418	0	0	0	0	0	0	0	2760	0	0	0	0	0	2317	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1437	0	0	0	0	0	0	0	1594	2168	1918	0	0	0	0	0	1337	0	0	0	1864	0	36268	0	0	0	0	2292	0	0	0	2386	0	0	0	0	0	0	2236	0	Organosulfur	0.16666667	1.375	0.041666668
8	C19 H33 O8 N3	432.23404	432.23477	0.104060546	432.2341	8718	10023	10759	10172	0	8702	0	1969	0	4626	5297	646	1768	0	1548	3025	0	1221	1293	0	0	1885	1016	2071	2141	0	0	151678	1890	1421	2590	2546	3426	2600	1239	1740	3635	1173	901	0	0	2171	0	0	0	0	0	0	3293	1215	8164	8475	934	0	0	541	0	4789	0	0	0	0	1205	0	0	1772	0	1738	0	0	0	2863	2012	1761	791	1237	0	1175	957	0	715	538	561	0	0	0	0	839	1488	1413	441964	928486	3879	4625	1613	0	11558	8150	0	0	0	1973	1519	0	0	875	0	0	849	0	Peptide	0.42105263	1.7368422	0.15789473
18	C19 H33 O8 N3	432.23404	432.23428	0.047485486	432.23407	0	0	0	0	0	0	0	0	0	0	4654	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	162633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11127	0	0	0	0	0	0	0	0	0	0	21388	15077	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42105263	1.7368422	0.15789473
10	C19 H33 O8 N3	432.23404	432.2346	0.12553708	432.2341	9707	9599	9365	9580	0	0	0	0	0	2982	2427	0	0	0	1879	0	0	1467	1488	0	0	0	0	0	1895	0	0	83981	1724	0	1613	1883	1207	1919	0	2233	1587	956	0	0	0	1696	0	0	0	0	0	0	2304	1266	8336	11728	0	0	0	0	0	1628	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	960	0	1295	0	0	0	0	0	0	0	0	0	686	1690	0	0	0	539154	1071291	4336	1400	0	0	10499	11871	0	0	906	0	888	0	0	0	0	0	0	0	Peptide	0.42105263	1.7368422	0.15789473
6	C19 H33 O8 N3	432.23404	432.23465	0.06378602	432.23407	1671	2272	0	1533	1576	0	0	0	1027	0	1240	0	1177	0	1135	1891	1010	923	1356	0	0	1859	1385	2103	1532	0	0	13362	1451	0	1395	2782	1262	1383	872	1137	987	745	0	0	0	615	0	0	0	0	0	0	0	938	1037	788	780	0	1080	0	0	2499	0	0	2762	0	0	0	0	656	1228	0	0	0	0	1813	1047	1479	0	1120	0	1075	1457	0	0	0	337	0	0	0	1614	658	0	1071	23176	29642	2645	0	0	0	1526	1557	492	539	0	811	579	0	0	3297	1294	0	1190	3270	Peptide	0.42105263	1.7368422	0.15789473
20	C19 H33 O8 N3	432.23404	432.2341	-0.13580751	432.23398	2252	1897	0	0	0	0	0	0	0	0	6548	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	300083	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1946	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5097	0	0	0	0	0	0	0	0	0	0	35654	31056	0	1480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42105263	1.7368422	0.15789473
14	C24 H33 O6 N1	432.23807	432.23856	-0.23396014	432.23798	23638	21430	17176	17138	9320	6658	12646	27076	9505	24079	19163	11906	5352	6599	15545	21575	19090	4950	10265	48956	41698	28318	14844	23751	16930	31389	13196	31569	22094	20779	17263	19964	30858	20734	46413	26992	28819	11582	26478	29832	15157	10082	0	0	0	20049	13990	0	25963	17734	20437	20553	7641	0	8257	4670	3513	32959	0	8758	0	8998	6419	6434	5189	6218	11909	26636	25064	45504	39234	18157	19383	24079	21466	23116	0	17418	11498	0	14419	5343	4234	16678	6741	4696	18918	10904	13307	52752	35034	12808	43321	10464	26742	0	24019	20628	6207	4475	6318	25979	14957	25335	0	21727	6982	0	16152	5118	Lipid	0.25	1.375	0.041666668
12	C24 H33 O6 N1	432.23807	432.23862	-0.13900743	432.238	21233	22318	20229	19703	8894	8959	24116	35129	4071	33109	21421	18971	3152	5815	19075	26213	28542	8674	15095	61935	53871	14523	18906	31175	25948	29958	22600	26442	34811	23629	31405	31779	45306	33380	57445	30803	36204	23261	33583	34898	20683	11518	0	0	0	27601	26098	0	39744	28978	21721	21431	9754	0	7973	4039	6047	31945	0	0	25369	9650	4794	7026	7005	9015	13282	41837	0	51398	36990	35818	29005	31745	28432	31134	0	23858	20204	24390	21163	5894	2743	24671	3785	3041	19981	11128	12436	44920	35640	12716	44927	14666	38259	0	27933	28697	3674	3790	5013	32106	18993	30449	0	33861	2805	0	18858	6627	Lipid	0.25	1.375	0.041666668
6	C24 H33 O6 N1	432.23807	432.23868	-0.23310348	432.23798	9089	10199	9190	11235	952	2410	9381	20205	1017	13118	4478	8922	1537	1056	11955	18452	14927	1183	4989	19251	16663	8067	9378	20479	9960	7226	9224	5411	16974	17048	16604	18679	18035	15150	16001	20428	19560	8599	19503	11572	6058	5657	0	0	0	6598	6926	0	21420	17162	10674	8180	3053	0	1567	0	2409	14784	0	0	15017	5924	625	2408	2389	1994	5599	21951	4064	9032	8509	13827	13304	16326	18066	13862	0	9397	7413	6992	7128	1195	1874	7026	1124	1778	8476	4193	5237	18283	9528	5273	17308	7902	16978	0	11129	9065	970	0	0	19063	8908	17817	0	12184	642	0	7686	1756	Lipid	0.25	1.375	0.041666668
8	C24 H33 O6 N1	432.23807	432.23865	-0.24178493	432.23795	21052	19805	22239	18227	3325	6151	13997	35951	2700	25529	15608	14084	2648	1660	14378	30724	25071	5462	9891	43459	38279	18887	16078	37243	18612	14189	14799	10008	32400	27190	27471	33131	32551	29715	33374	35091	36713	13636	28467	25825	10423	10169	0	0	0	19216	14302	0	36840	30054	17630	20309	5439	0	4670	2991	4494	27703	0	0	24436	11296	3215	5556	6026	7080	11401	32777	8571	23685	21309	28409	30678	31534	25779	29426	0	17699	13615	13606	11468	2735	3286	17836	2429	3675	12697	9586	11578	27697	18858	0	36615	13369	30938	0	25202	19028	2986	2114	0	33237	15785	38589	0	24098	3028	0	12497	3404	Lipid	0.25	1.375	0.041666668
24	C21 H37 O6 N1 S1	432.24142	432.24188	-0.09825316	432.2414	145055	146291	131812	141542	150354	91517	83818	124359	134086	214721	178003	71965	146066	82515	97978	143812	115144	158168	210357	289884	266349	123740	103510	134527	96479	340882	77722	168557	123374	122997	98304	142878	158190	116184	268151	136363	182031	89663	126960	166338	154422	78746	7364	0	0	111737	98117	0	125260	104690	133851	137541	124551	0	172130	139279	72210	145891	106700	68863	137977	102741	146350	127163	66158	152110	104547	137456	257293	378628	367377	102580	112486	115800	97034	111232	0	80566	146299	98686	99438	76695	107656	125945	148417	87800	146758	86999	106784	140679	148990	154962	155435	88115	141140	0	149107	149210	99945	136578	131954	174584	73184	152353	86839	128509	121235	0	104892	156441	Organosulfur	0.2857143	1.7619047	0.04761905
10	C17 H37 O11 N1	432.24393	432.24457	-0.2501889	432.24384	5859	8963	7237	5998	1401	920	2713	0	0	14510	38614	0	0	1382	0	0	1068	1278	0	0	1300	1998	0	0	0	0	13637	17463	1183	1241	0	0	0	0	1723	1393	0	670	0	10726	14241	1197	8424	1074	1704	19905	50388	985	0	0	5784	5745	1470	1562	1261	881	2322	0	58791	5224	26745	28940	4818	1491	3668	4397	4547	2673	22590	3311	31382	0	0	0	0	0	1944	0	0	30440	0	1275	741	0	990	1809	0	0	0	1776	0	3718	0	14504	8617	1013	6366	7607	0	0	810	0	0	12886	955054	0	0	1239	0	1474	Unclassified	0.64705884	2.1764705	0.05882353
12	C17 H37 O11 N1	432.24393	432.24457	-0.041424606	432.24393	0	1755	0	0	0	0	0	0	1172	1895	3647	0	0	0	0	0	0	0	0	3592	0	0	0	0	0	0	0	21149	0	0	0	0	0	0	0	0	0	0	0	1433	0	892	2756	1843	2256	5593	5592	2179	0	1518	1588	0	0	2425	0	0	953	0	0	0	0	2442	1247	0	1233	0	1723	0	0	5521	8088	0	0	0	0	0	2566	0	0	30868	0	988	0	0	0	0	0	0	0	0	3024	3377	0	4547	0	1797	0	3628	2307	0	1254	0	0	5156	64161	0	0	1652	0	0	Unclassified	0.64705884	2.1764705	0.05882353
0	C18 H33 O7 N5	432.24527	432.24573	-0.12211728	432.2452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29451	0	0	0	0	1515	0	0	0	0	0	1046	0	0	1113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37495	0	0	0	0	0	0	850	0	0	0	27029	7686	0	4075	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3888889	1.8333334	0.2777778
6	C18 H33 O7 N5	432.24527	432.24554	-0.05327365	432.24524	871	738	879	0	0	0	0	0	0	0	0	0	0	0	829	0	0	0	0	0	0	0	0	0	0	0	0	11514	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	729	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19950	0	0	0	0	0	0	0	0	0	0	41377	46425	0	3618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3888889	1.8333334	0.2777778
2	C18 H33 O7 N5	432.24527	432.246	-0.09833399	432.24524	2088	1658	2180	2284	0	0	0	0	0	0	3455	421	0	411	336	260	901	1152	0	0	0	0	0	0	0	0	0	154235	553	0	0	0	890	0	0	0	618	348	1595	0	0	0	0	0	0	0	0	0	0	0	3514	1892	352	0	0	0	241	0	0	0	0	0	0	0	0	826	0	529	0	0	0	0	0	0	0	0	0	0	0	350728	0	0	0	0	0	867	0	917	0	0	92071	58400	806	19918	0	0	2049	2325	0	0	0	0	319	0	0	0	0	0	0	0	Peptide	0.3888889	1.8333334	0.2777778
14	C26 H34 O3 N1 Na1	432.25092	432.25153	0.400216	432.2511	0	0	0	0	0	0	0	1855	0	0	0	0	0	0	0	2975	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1397	0	0	3369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2984	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30831	7663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.115384616	1.3076923	0.038461536
8	C26 H34 O3 N1 Na1	432.25092	432.25153	0.19586277	432.251	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1737	0	1340	0	3641	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2545	1279	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23605	5085	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.115384616	1.3076923	0.038461536
6	C28 H33 O3 N1	432.25333	432.2541	0.043094847	432.25333	4641	12466	11988	10716	0	11392	0	0	0	0	5055	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46439	0	0	0	0	0	0	0	0	0	0	0	0	0	600	0	0	0	0	0	0	0	0	14880	12838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	247065	0	0	0	0	0	0	0	0	0	0	698497	316003	0	30578	3060	0	5087	13524	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.10714286	1.1785715	0.035714287
16	C21 H37 O8 N1	432.2592	432.25964	-0.17683922	432.25912	6725	3808	2195	5239	1676	3652	11637	3387	1274	0	0	0	0	1707	3124	5046	2806	2942	3423	0	0	0	2264	3833	2374	0	5111	0	4170	4918	3322	5392	4628	3107	2492	4296	1726	1337	4527	0	0	2888	621	0	0	2352	1524	0	3551	5589	0	1762	1689	286	3323	1240	1168	4922	1278	0	0	0	2582	0	3364	3083	1837	2966	0	0	0	3537	2606	5123	4819	4347	0	2530	2961	0	0	1085	23742	11244	4439	1923	4197	0	1532	0	3358	2151	0	0	0	478	2135	4444	1077	4233	4043	6066	2960	2342	0	0	2710	0	2190	0	Lipid	0.3809524	1.7619047	0.04761905
12	C21 H37 O8 N1	432.2592	432.25977	-0.17269291	432.25912	0	4059	0	0	0	0	0	2824	0	0	0	0	1277	0	0	1672	2593	0	0	2377	0	8106	0	3129	1800	0	0	0	0	1662	1411	2683	2319	0	0	1353	0	1554	0	1971	0	0	0	0	0	0	0	0	1617	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25505	3060	0	2941	1126	2327	0	1552	0	974	1206	28074	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1051	0	0	0	Lipid	0.3809524	1.7619047	0.04761905
18	C21 H37 O8 N1	432.2592	432.25955	-0.29687405	432.25906	8765	4178	8670	5215	1995	3405	37580	5367	3144	0	0	1551	2279	4419	8684	7156	6907	5791	7167	2018	0	3309	4527	5210	9776	3154	22194	3796	13003	7543	5607	8907	8729	6249	0	7413	6305	3372	4696	0	0	2605	1182	0	0	1474	2237	0	5904	7551	6431	3644	3865	0	8623	6315	3441	7225	3175	1767	4738	0	4584	2819	7139	9249	7566	2699	0	0	2734	3022	6312	12138	7551	5778	0	4444	6166	2317	3703	0	49918	26486	7390	3112	9609	2588	5353	2575	7067	6182	6564	0	0	0	5047	5829	1565	4349	8586	12709	3322	1879	2699	2200	5354	0	4431	3177	Lipid	0.3809524	1.7619047	0.04761905
20	C21 H37 O8 N1	432.2592	432.25958	-0.29901114	432.25906	7635	9723	8647	15422	10586	7278	71536	13244	7832	2114	2577	4612	19959	9270	16536	10642	7095	13404	15872	4400	4598	4876	8854	6639	9933	5454	34043	7668	16258	11015	11900	14090	10493	11049	4865	15606	15810	11212	4599	2134	1805	4539	1624	0	0	3874	0	0	20705	11580	8729	11154	7253	393	24161	7703	5459	9008	8698	2454	13089	2131	9512	10301	13119	15771	14530	7799	0	2629	3662	10023	15653	14693	7835	10536	0	7466	6291	4423	7505	2307	81753	36207	9678	10458	13254	4801	9882	6738	19594	12758	10718	2069	3736	0	9890	15146	3583	8570	9027	18228	4330	7920	6663	9102	9331	0	7902	9885	Lipid	0.3809524	1.7619047	0.04761905
14	C25 H37 O5 N1	432.27444	432.27493	-0.187536	432.27438	7657	7270	10119	8077	0	2209	4345	13034	1328	0	6294	4941	0	0	7039	16594	6036	0	0	8197	4193	0	3311	8038	7871	5273	4942	0	10825	12985	12280	14956	14192	14627	3053	14279	13216	4404	4978	4492	0	2805	0	0	0	2096	6278	0	17940	10788	7331	8735	2258	0	0	0	2127	13216	0	0	0	2723	0	1436	1742	0	3557	15904	0	4096	3450	10492	7448	8745	17617	12996	0	7201	1356	0	1993	0	0	2693	0	0	1815	5121	4749	240069	20208	0	101655	3343	12913	0	8106	6172	0	0	0	14102	7434	4114	0	39768	0	0	1112	0	Lipid	0.2	1.48	0.04
12	C25 H37 O5 N1	432.27444	432.27496	-0.18537964	432.27438	3852	6975	5143	4713	0	0	5010	15002	0	4251	2260	7332	0	0	4896	14165	9921	1415	1759	9190	5100	0	3703	8400	9179	2230	5497	0	12992	8963	12691	14232	11758	12680	2516	10414	14395	5700	6042	5656	0	2919	0	0	0	2218	0	0	14356	11530	4770	7272	1223	0	0	0	1338	11779	0	0	23909	0	0	0	1244	0	1996	12991	0	2120	0	10725	8976	15336	14828	9047	0	9798	2286	0	3586	0	0	2853	0	0	4396	1713	4021	112826	10275	0	47250	6227	5919	0	6229	3371	1428	0	866	8777	6566	0	0	20139	0	0	3603	0	Lipid	0.2	1.48	0.04
20	C25 H37 O5 N1	432.27444	432.27487	-0.2530586	432.27435	6691	7022	4444	7858	0	2218	5549	7313	1902	3350	6344	4567	1832	2164	3894	13675	16907	2333	2814	5844	7351	3405	1931	6290	5796	12572	7973	6892	5151	6987	5324	8258	7429	9603	4049	10632	5499	4848	17605	4849	8466	4116	0	0	0	3466	8392	0	7306	6497	5128	5526	3612	0	3768	4567	3905	10857	1275	6864	9645	2632	1919	0	1932	1673	4300	17350	7688	10048	14264	3123	4426	6191	12592	9603	0	6153	7968	4582	4358	1903	3766	0	2644	2220	10250	3618	3183	27346	7302	5490	12230	4411	3923	0	4175	6423	2291	8325	11255	10271	4356	5257	2460	7004	2927	0	7178	2823	Lipid	0.2	1.48	0.04
10	C25 H37 O5 N1	432.27444	432.27496	-0.2361187	432.27435	10914	10331	11912	10096	0	0	6616	12778	0	3254	4276	7176	0	0	8695	15971	10918	1007	0	7736	5663	5832	4423	14995	11886	3519	7117	4259	15583	11256	11400	10521	13845	11720	4804	13877	16501	6487	11129	5535	0	2637	0	0	0	3904	6155	0	13320	10581	9898	10969	1843	0	0	0	2190	15468	0	0	12543	1432	0	0	0	0	5266	20044	0	2114	1712	15460	9166	13231	16169	12557	0	7524	7347	6866	4269	0	0	3669	0	903	11544	3051	3243	363553	13022	0	134121	6006	10278	0	10214	8232	0	0	0	15367	6930	5683	0	33453	0	0	7829	0	Lipid	0.2	1.48	0.04
12	C22 H41 O5 N1 S1	432.27783	432.278	-0.8617883	432.27744	0	51989	0	0	0	0	0	0	0	0	24981	0	9196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	88587	0	11174	0	0	2459	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	78381	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4930	0	0	0	0	0	0	0	0	0	4374	0	87858	0	0	12777	0	0	0	0	0	0	0	0	0	0	63675	0	0	0	0	0	0	Organosulfur	0.22727273	1.8636364	0.045454547
0	C19 H37 O6 N5	432.28165	432.28165	-0.41342875	432.2815	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13125	0	0	0	0	844	0	0	0	0	0	708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29556	0	0	0	0	0	0	0	0	0	0	30186	5064	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.31578946	1.9473684	0.2631579
12	C22 H38 O4 N3 Na1	432.28326	432.28372	0.11685622	432.28333	0	87928	10430	0	0	4140	0	9190	1115	0	0	0	13573	0	0	0	132183	0	0	0	0	0	0	0	0	0	13243	9619	60953	0	0	30690	0	30868	0	7716	0	0	7020	0	18891	0	0	0	827	5824	0	0	0	31974	12664	0	0	0	0	4922	11335	0	72312	284881	50909	3788	0	0	0	0	0	0	0	0	5261	0	0	0	0	0	0	4682	0	0	0	0	0	0	0	5994	0	2419	0	0	0	8094	0	0	6043	0	0	0	9962	0	0	45200	0	0	0	0	0	1316	1325	18195	Peptide	0.18181819	1.7272727	0.13636364
24	C22 H41 O7 N1	432.2956	432.2958	-0.33516544	432.29544	1740	0	0	0	0	0	53218	0	0	0	0	0	0	5514	0	0	0	0	1818	0	0	0	0	0	0	0	32160	6632	0	0	0	0	1225	957	0	0	1748	0	0	0	0	0	0	0	0	0	1633	0	1796	0	2203	0	0	0	0	0	0	0	2064	0	0	0	1214	0	4109	2254	2135	1821	0	0	0	0	0	0	0	0	0	0	0	2459	0	0	15642	11131	0	0	0	0	0	0	12593	7092	1494	0	0	0	0	1940	0	0	0	0	0	0	7954	0	0	0	0	0	Lipid	0.3181818	1.8636364	0.045454547
26	C22 H41 O7 N1	432.2956	432.2953	-0.4329337	432.29538	0	0	0	0	9186	0	32766	0	0	0	0	0	0	3958	0	0	0	0	0	0	0	0	0	0	0	0	17134	17865	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7131	0	0	0	3594	0	8562	0	0	0	0	0	5011	3390	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6427	2439	0	0	0	0	0	0	17740	15620	0	0	0	0	0	0	4580	0	0	0	0	0	25363	0	0	0	0	0	Lipid	0.3181818	1.8636364	0.045454547
22	C22 H41 O7 N1	432.2956	432.29575	-0.2139999	432.2955	0	0	0	0	0	0	28704	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11632	0	0	0	0	0	0	0	0	0	0	0	1354	0	0	0	0	0	0	0	0	0	0	0	0	1239	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1476	1636	0	0	0	0	0	0	0	0	0	0	0	2004	0	0	14905	8751	0	0	0	0	0	0	2788	0	0	0	0	0	0	0	0	0	0	0	0	0	2784	0	0	0	0	0	Lipid	0.3181818	1.8636364	0.045454547
12	C26 H41 O4 N1	432.31082	432.3112	-0.09047067	432.3108	0	3778	0	0	0	0	0	26232	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56469	11369	18597	7893	0	3240	0	11230	1365	0	0	1756	0	0	375	0	0	0	0	0	15732	31134	2076	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18509	9028	20522	2974	15057	0	3205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.15384616	1.5769231	0.038461536
18	C26 H41 O4 N1	432.31082	432.31146	-0.11325849	432.3108	0	0	1711	0	0	0	0	1616	0	0	0	1966	0	0	22996	3111	0	0	0	0	0	0	0	0	1581	0	0	0	0	3005	0	0	0	0	0	0	0	17423	0	0	0	0	0	0	0	0	0	0	0	0	0	1544	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	209175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1835	0	0	1785	0	0	0	0	Lipid	0.15384616	1.5769231	0.038461536
22	C26 H41 O4 N1	432.31082	432.3112	-0.26745954	432.31073	3312	3260	4343	3251	0	0	3873	24553	0	0	3440	22281	0	0	12008	25024	4729	0	0	0	0	0	1885	1535	3757	0	5483	2853	13800	25849	11655	4744	0	4147	0	5693	2395	12761	7624	0	0	0	0	0	0	0	0	0	29243	26037	3750	3715	0	0	0	0	0	19674	0	0	20453	0	0	0	0	0	0	5794	0	0	0	10940	4204	2547	13029	12958	0	12259	0	0	0	0	0	0	0	0	0	0	1082	0	0	0	0	0	0	0	3367	4956	0	0	0	1475	15297	0	0	3487	0	0	8059	0	Lipid	0.15384616	1.5769231	0.038461536
24	C19 H12 O12	433.04016	433.0407	-0.109471284	433.0401	5467	4658	2921	2312	11640	5921	1420	0	14480	1614	0	1871	24880	7151	2193	2390	1329	20431	16585	1347	1869	3355	3848	961	0	0	0	0	0	0	0	0	1673	0	0	0	0	1422	0	0	0	0	0	0	0	0	1742	0	0	0	4340	4406	8864	0	12158	12583	3947	0	0	0	1186	1171	33911	11622	3157	19217	3558	1657	0	0	0	0	0	0	0	0	0	0	9099	1984	8622	1158	0	0	25421	7369	4361	1784	4796	2971	0	0	1428	3311	3159	0	1954	4806	8724	17050	18184	0	959	0	0	983	11124	0	0	24678	Phytochemical	0.6315789	0.6315789	0.0
14	C19 H12 O12	433.04016	433.04074	-0.113634296	433.0401	0	3844	2043	1659	9810	2969	0	0	8108	0	0	0	10062	1930	0	0	0	5032	6238	0	0	0	1769	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	393	0	0	0	0	2750	0	3955	7315	1283	0	0	0	0	0	20032	11106	2568	10114	3962	0	0	0	0	0	0	0	0	0	0	0	1563	0	1144	0	0	0	9696	0	0	2634	0	0	0	0	0	6606	0	0	2741	0	8600	16311	12340	0	0	0	0	0	7676	0	0	18367	Phytochemical	0.6315789	0.6315789	0.0
16	C19 H12 O12	433.04016	433.04068	-0.09896996	433.0401	0	2308	1948	3279	12535	4189	0	0	18392	0	1224	1054	19638	2408	0	0	0	9849	6229	0	0	8235	2145	0	0	0	0	0	0	0	0	0	0	0	1717	0	1635	0	0	0	0	1928	0	0	0	0	3283	455	0	0	3143	3265	5557	0	7152	17485	5395	0	0	0	0	1579	28191	14051	3953	19332	3224	0	0	0	0	0	0	0	0	0	0	0	2022	0	1748	1790	0	0	16616	4376	1757	2939	3980	0	0	0	0	9807	0	0	3073	4190	10060	23646	17580	0	1221	0	0	0	12211	0	0	17677	Phytochemical	0.6315789	0.6315789	0.0
26	C19 H12 O12	433.04016	433.04053	-0.1567618	433.04007	4781	6535	3599	6506	15810	8185	0	0	13362	0	0	0	34525	7758	0	0	0	19871	16376	0	0	3858	0	0	0	0	0	0	0	0	0	0	1754	0	0	0	0	3764	0	0	0	0	0	0	0	0	0	0	0	0	4091	5108	8299	0	16148	12884	4978	0	0	0	0	0	35818	20851	5166	16017	4517	0	0	0	0	0	0	0	0	0	0	0	10713	0	10368	0	0	0	26182	7894	5138	5498	2704	1664	0	0	0	4300	0	0	6886	0	7758	20040	14134	0	0	0	0	1548	10832	0	0	31153	Phytochemical	0.6315789	0.6315789	0.0
18	C19 H12 O12	433.04016	433.04068	-0.19504587	433.04007	2817	3021	4607	3105	13579	3183	0	0	13118	0	1369	2021	27583	5492	1561	0	0	12627	12383	0	0	5457	3892	0	0	0	0	0	0	0	0	0	0	0	3256	0	0	1232	0	0	1895	2660	0	0	0	0	3894	1069	0	0	4254	3156	9891	0	8522	16749	5558	0	0	1100	0	944	35557	17860	5109	15855	3406	0	0	0	0	0	0	0	0	0	314	0	2401	2028	2448	2061	0	0	20403	4603	3472	3587	2703	0	0	0	0	7277	3139	0	3266	4388	9111	21050	17569	0	1667	0	2003	0	12391	0	0	21502	Phytochemical	0.6315789	0.6315789	0.0
22	C19 H12 O12	433.04016	433.04065	-0.13080205	433.0401	2129	2109	2882	3973	13979	3695	0	0	11707	0	0	1066	19736	4774	1850	0	0	9553	12327	0	0	5528	4283	0	0	0	1803	0	0	0	1308	0	1231	0	0	0	0	2409	0	0	1925	2890	0	0	382	1582	1939	0	1304	0	2513	4457	7219	0	14598	15697	3437	0	0	0	0	0	29152	11794	4630	19581	2914	1707	2107	0	0	0	0	0	0	0	612	1156	8153	3229	7171	1126	0	0	22379	5103	3069	3755	4376	0	0	0	0	5259	3866	0	3506	3341	8695	21598	19613	0	1393	0	2257	0	12789	0	0	26419	Phytochemical	0.6315789	0.6315789	0.0
28	C19 H12 O12	433.04016	433.04056	-0.12521079	433.0401	7525	6954	7807	8318	21398	8937	2555	0	19379	1661	0	2439	36942	11028	3644	2872	0	28495	24436	0	0	3315	8242	2464	0	0	2255	0	0	0	2291	0	1760	0	2919	0	2364	3496	1212	1073	2301	2918	1383	0	0	0	2778	2199	1411	0	8419	7540	12176	0	23379	15342	4565	1253	0	0	2386	1181	41668	18810	5215	25724	4752	1687	0	0	0	0	0	0	0	0	0	2209	13897	0	13276	0	0	0	28275	11037	7910	5676	5956	2888	0	1128	2800	3454	4186	0	7292	7759	10365	20495	20770	3358	0	0	2768	1824	18444	0	2758	35784	Phytochemical	0.6315789	0.6315789	0.0
20	C19 H12 O12	433.04016	433.0407	0.046022337	433.04016	3194	2671	4581	3875	12993	6879	0	0	15307	0	0	1116	29874	5878	1328	0	0	14527	11816	0	0	6226	3650	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2418	0	1516	0	2272	558	0	0	0	2086	1628	0	0	2990	3221	5716	0	13318	14181	7197	0	0	0	0	0	31540	16932	6064	20628	3244	0	0	0	1726	0	0	0	0	0	531	0	4229	2179	3444	1757	0	0	27833	5921	3683	3841	4578	0	0	0	0	6515	4015	0	3441	4139	8764	23964	24270	0	0	0	1255	0	12302	0	1215	34625	Phytochemical	0.6315789	0.6315789	0.0
26	C20 H16 O11	433.07654	433.07693	-0.13607185	433.07648	10318	9749	9257	7982	18340	13636	1579	0	24059	10756	3466	0	48679	9660	6217	0	0	32172	24778	6622	7450	13308	6256	0	0	0	0	0	0	0	0	0	3790	0	14789	0	3551	4954	0	2554	2946	0	0	0	0	6941	10409	0	0	0	6174	7715	13572	0	30722	26000	6705	2172	0	0	0	4614	40753	23773	4275	26290	4696	0	0	3721	4326	0	0	0	0	0	0	2887	14097	8443	12446	4769	0	2134	32410	14599	8058	2806	4869	2040	2067	2973	0	13028	16482	0	8295	9459	13968	20049	17539	0	0	0	0	2590	14922	0	4191	45730	Phytochemical	0.55	0.8	0.0
28	C20 H16 O11	433.07654	433.07697	-0.0972416	433.0765	9395	5861	9263	7394	19124	9526	3538	0	15812	13375	2243	2469	39216	9289	5795	2261	0	25971	24743	7681	8518	14356	6792	3234	5150	2409	3100	1601	2781	0	2018	1362	2483	1284	13236	0	2711	5763	1349	2617	3263	3335	0	0	0	5780	8676	1501	1177	0	9915	7237	10849	0	23810	15710	7308	3814	2337	2057	3639	4154	34407	16918	5730	21685	5620	2210	4877	4479	6935	1048	1343	0	0	1023	0	2251	14453	7087	10607	4381	1686	1847	19898	8030	8585	5139	5284	1593	3439	3689	3457	9542	16547	0	9089	9159	10456	16387	18026	3589	2273	0	4808	3807	14530	0	2912	33980	Phytochemical	0.55	0.8	0.0
14	C20 H16 O11	433.07654	433.0771	-0.122185454	433.07648	65119	55757	47162	62636	90213	42661	18095	12886	103686	128821	92389	21121	159524	39251	23832	14850	13404	95547	92927	66887	96803	166093	42768	15949	7605	17742	12923	33622	8241	9348	8157	12597	23708	8060	158282	6307	22359	26571	16364	47420	90509	28180	0	327	250	57523	125081	643	11019	7387	58247	57844	52986	0	82159	84332	41163	24308	20321	28395	0	50263	153510	104726	37055	106584	34970	17375	33123	35935	55963	11126	6657	3803	11052	9759	0	18417	58372	111941	38992	63937	8770	19917	106432	49294	43570	41320	36645	30086	10765	27976	28518	181053	122830	0	62412	47812	84545	116525	102307	18655	20985	16738	77945	19346	79730	0	13591	122909	Phytochemical	0.55	0.8	0.0
22	C20 H16 O11	433.07654	433.07706	-0.070562154	433.0765	14282	15344	17818	15896	39857	22089	3047	2627	40699	24936	10138	2564	81391	17163	8719	3434	1999	55561	39441	13246	16225	41645	16296	2779	5306	4860	2722	4329	1976	1492	1926	0	5461	0	29908	0	6116	5904	0	12104	8199	4415	0	0	945	18445	27930	0	2769	1753	23611	16949	26313	500	49889	40907	16287	4858	3341	4166	4900	10868	80499	43706	10805	50397	11396	1533	9469	7163	12810	0	0	0	2727	1940	736	3656	20055	22334	20461	20185	2983	4512	54957	25179	16496	11138	12197	2535	0	3799	6771	41558	42572	0	15707	15866	31269	47938	45489	4231	3327	4104	19740	3571	33731	0	5974	77710	Phytochemical	0.55	0.8	0.0
20	C20 H16 O11	433.07654	433.07703	-0.1356838	433.07648	35665	31805	35867	27837	72439	40537	7436	6322	70995	50245	19715	6477	128869	40379	16975	7597	4894	77887	68510	19277	38755	65051	23621	8877	6978	8441	5661	10502	3324	2248	4689	2028	8638	2891	55255	3769	16365	13620	2778	25160	23171	13767	3530	822	662	29444	47022	2658	4609	2044	32587	32814	36861	636	74836	67963	28277	8592	12172	4711	8818	21773	123800	67459	21657	82298	24885	2501	16484	17929	17067	2933	2955	2668	4363	3606	1091	7757	33514	48605	30364	32895	4412	13493	85712	36289	35660	16911	18638	5073	9079	16101	15914	68762	61073	0	30779	28846	50087	73477	75704	12306	8263	9702	36712	9654	63421	0	9510	128332	Phytochemical	0.55	0.8	0.0
10	C20 H16 O11	433.07654	433.07715	-0.056865245	433.0765	15465	14325	10814	14441	24797	9287	2023	2149	30190	30445	27289	5221	42797	6753	3812	4054	5126	22093	26130	16212	27719	34781	6511	4898	0	2299	3446	8391	0	1283	2671	2929	4671	1758	46152	0	5810	6003	4730	7767	23373	5730	536	0	334	8334	30603	0	2057	2376	11047	17963	12666	406	26866	27945	11096	5261	3760	6235	0	14243	49361	29884	13140	30399	10022	5504	18113	10403	21659	2488	2656	1392	4296	3429	0	3844	13385	13675	9661	11639	2117	2159	36060	12165	12616	9646	8498	8300	0	3960	4521	36450	22986	0	15278	14759	32349	44755	35839	3968	4530	2435	0	6248	25271	0	3082	42105	Phytochemical	0.55	0.8	0.0
12	C20 H16 O11	433.07654	433.07712	-0.12595291	433.07648	33969	33424	36043	32989	50083	20363	5883	6344	62840	71101	55540	13561	76144	16835	12307	13967	8482	52198	56539	37456	61017	84013	21811	11315	3379	8234	7280	9094	3622	3340	5900	3983	15116	0	96361	3687	9876	13630	12336	24860	67690	16482	664	0	0	36955	93754	0	6797	4647	30591	37953	31137	0	55123	51447	23696	10886	9700	9543	18671	29854	110150	57933	18908	60148	20035	11948	23778	17310	45857	7256	5766	2436	11705	5049	0	8850	31285	69412	29319	39658	3933	6002	60903	25982	22416	18187	22287	20702	7209	11878	14114	98097	58780	0	40100	46549	63107	72837	64566	7368	10543	8506	34430	16767	49001	0	6795	82242	Phytochemical	0.55	0.8	0.0
18	C20 H16 O11	433.07654	433.07706	-0.11825065	433.07648	52299	45104	47763	47965	89742	55478	13580	13836	101153	78864	44938	12233	189697	43183	23443	15515	6842	125013	111671	63457	59345	119239	39368	17132	11992	11784	14131	20173	7115	5660	5624	8514	21757	5817	102862	3918	21247	24000	10271	53891	41971	28099	2240	0	514	61088	73080	1218	9612	7126	60033	43294	63461	712	108565	87310	39935	20876	23430	9533	14875	44560	196208	90850	33458	122179	44700	8308	27783	22722	35313	10019	4176	2504	5677	8154	571	16096	56319	75821	48084	67687	9044	17345	126372	58578	45464	37482	38907	18750	17301	29724	28246	105912	92319	0	49526	43521	84161	108926	107134	17056	16367	17390	56361	21739	71232	553	14572	167068	Phytochemical	0.55	0.8	0.0
16	C20 H16 O11	433.07654	433.07703	-0.14752893	433.07648	65246	67271	59647	65935	118255	57322	13418	11714	131445	134054	79299	21280	203538	42872	29200	19042	10656	132378	140166	87547	103213	162022	45325	19370	16953	13686	13181	29107	8328	7735	13584	10513	27576	6764	163436	7363	35196	25928	12789	60399	80334	29471	2512	514	495	67063	116309	1086	13486	10058	64784	72962	78232	0	137970	109717	49918	25444	23982	18709	18410	56380	216306	123636	39606	126924	49219	16368	50930	32009	56366	12089	8749	5885	12068	12577	375	19510	60166	108186	45733	74090	12303	27522	123809	61598	62599	41258	55572	30774	19898	41060	0	162901	165209	626	74559	69435	106129	125779	137950	24312	17367	30669	70719	28573	93875	509	18828	192838	Phytochemical	0.55	0.8	0.0
24	C20 H16 O11	433.07654	433.077	-0.08400448	433.0765	8818	11902	9308	11054	29752	11078	1723	0	29588	15946	6247	2872	57743	12806	5026	2367	1691	39619	25043	6655	9574	22232	7242	4030	2846	3346	0	1620	0	0	1593	0	2747	0	11744	0	2584	3752	1581	6879	4091	3772	0	0	0	8095	12079	0	1483	0	9538	10293	15047	0	41845	29291	10196	2929	2079	2967	3907	4583	52311	26763	7803	32019	8238	0	4713	5110	5088	1109	0	0	1372	0	0	2589	17912	14395	10280	6998	1501	0	41907	14101	8811	3747	8515	2395	3212	3065	4758	24997	26402	0	7800	8437	15313	27006	29812	2036	2414	3147	10099	2291	22498	0	4063	54439	Phytochemical	0.55	0.8	0.0
8	C20 H16 O11	433.07654	433.07724	-0.05202698	433.0765	18323	18141	10487	17567	46383	11124	2514	0	57732	44152	34052	9884	78744	8848	6581	4875	5811	33349	44917	15680	42411	48371	13254	6262	3467	6177	4992	0	2616	0	2622	4323	7515	1856	62513	2598	3744	6754	7474	15994	55315	13030	0	0	0	20380	52803	0	0	0	18063	20866	27471	0	40384	46873	19589	4740	0	12017	0	16723	114743	58464	13980	42718	15754	6329	11319	13065	26604	4702	3489	0	7798	3207	0	2865	17277	10581	16944	17027	2854	0	53505	9464	9052	14309	12938	14761	0	0	10638	54365	28169	0	25155	9295	58885	71645	51987	5999	8701	0	0	4248	39673	0	6384	71880	Phytochemical	0.55	0.8	0.0
16	C19 H16 O10 N2	433.08777	433.08835	-0.045991015	433.08774	13247	11374	10456	14176	16219	6753	2969	3081	19312	23482	12488	1702	32864	3899	2942	4691	4005	19659	13985	12281	29942	41202	5543	4886	3305	1979	2366	5459	2418	1325	2225	0	5168	0	36919	0	7848	4120	3305	20919	35923	5756	354	0	0	16545	45696	0	4626	1708	7866	9506	9947	0	24100	12486	5548	2500	4527	3282	0	25424	36072	15394	6360	20203	5225	9846	8552	4829	10675	1916	1922	0	2683	1562	0	3849	8204	29328	6877	24526	0	5146	21344	6595	8083	8639	6829	0	0	9285	0	46635	31047	0	11377	10636	9970	14039	16561	6214	2244	3754	20957	0	12816	0	3549	30169	Phytochemical	0.5263158	0.84210527	0.10526316
10	C19 H16 O10 N2	433.08777	433.08835	-0.072349034	433.08774	8780	5838	8093	6126	11635	3034	963	1401	13966	16576	9133	3299	24554	2635	2520	1986	1016	10623	8436	8073	22623	20101	5334	2495	0	0	913	3285	0	0	1130	0	4997	976	25423	0	2275	3430	1454	11971	25592	4663	0	0	0	8992	32193	0	1165	0	7309	5881	5694	0	19085	14254	5852	2665	0	3544	0	10102	37151	13737	4475	16773	4650	3577	0	3250	9096	1601	1678	0	2950	1665	0	2032	3717	8782	2736	9415	0	1221	13736	4351	4901	5886	3034	6927	0	6054	3891	29050	17638	0	6488	7264	9599	15864	13644	1977	3081	0	14977	1950	11417	0	0	29278	Phytochemical	0.5263158	0.84210527	0.10526316
14	C19 H16 O10 N2	433.08777	433.08835	-0.07987594	433.08774	22530	28004	23560	26314	32124	17114	0	9792	50777	56368	42590	7130	80182	11698	7916	9232	13150	37123	40142	37168	76931	103144	15062	6470	5398	8286	6002	18278	0	5197	7536	0	10650	4532	89789	0	8650	5616	10742	48149	107472	19361	0	0	0	50168	117858	0	4898	4538	26326	36648	25936	0	48764	29838	17960	2723	0	20080	0	60752	95039	56106	11812	44676	18064	15386	0	11013	30638	3338	7423	2988	7405	3340	0	5790	16140	52790	18343	43290	3946	12606	40074	16322	14484	11336	11900	19394	6926	9972	24692	91154	72018	0	25182	24280	30799	44412	40828	7862	9711	10694	48934	11322	22529	0	9128	74848	Phytochemical	0.5263158	0.84210527	0.10526316
12	C19 H16 O10 N2	433.08777	433.0884	-0.05589534	433.08774	9323	11236	11402	12748	15355	5115	0	2941	20169	24833	14940	3938	34124	5615	2838	4045	3983	20976	20508	14557	29492	49825	6962	5621	2943	1602	1871	0	2081	1323	2074	0	5055	2126	34950	0	2566	4132	4013	20188	55038	6453	0	0	0	18959	47208	0	1429	1415	12782	8539	7303	0	29839	18607	7618	2655	0	0	0	18707	48307	21763	6892	23158	8134	5074	21012	6088	14293	2013	1307	1031	1203	1508	0	3561	9716	0	5998	20241	1989	5073	19779	5923	8457	6412	7336	12971	0	7943	7370	41674	25479	0	10335	6445	15884	19447	17418	2597	2416	3953	39060	5162	14691	0	1863	40232	Phytochemical	0.5263158	0.84210527	0.10526316
4	C15 H20 O9 N4 S1	433.1024	433.10312	-0.043662425	433.10236	4650	4798	4146	4619	0	2155	1507	3170	0	0	0	4052	365	0	2303	15653	12371	1006	2055	0	0	1130	5422	10517	4024	0	4831	0	3712	3527	2118	6443	6141	4174	0	4087	5830	2221	15027	0	0	6846	0	0	0	0	0	0	8883	1876	3877	3570	2452	0	381	0	2018	16622	0	0	12103	0	0	455	1315	1612	4820	23160	0	0	0	2099	2599	292	11869	3249	0	1828	6918	0	3645	0	0	0	0	1089	9188	8118	6542	10821	1599	0	7330	0	0	0	2811	3626	0	0	0	4472	1973	0	0	5500	367	0	2536	516	Peptide	0.6	1.3333334	0.26666668
8	C11 H25 O12 N2 S1 Na1	433.10986	433.10995	-0.43387213	433.10968	1307	0	1514	0	0	0	0	1920	1793	0	0	1189	3397	0	0	1583	0	0	0	0	0	0	1461	0	0	1278	0	0	0	0	915	0	0	1175	1064	0	0	1142	1576	0	0	987	0	0	0	0	0	0	1278	1009	1924	1122	1568	0	3149	2140	1226	1313	0	0	0	0	3076	2897	0	2783	1491	0	0	0	0	0	1265	0	20932	905	0	1184	1067	0	1173	0	813	0	0	0	1269	1829	1215	1174	0	0	1448	0	1755	0	0	1546	2030	1711	0	1252	0	0	0	1376	0	0	0	3957	Organosulfur	1.0909091	2.2727273	0.18181819
24	C21 H20 O10	433.1129	433.11337	-0.13516311	433.11285	24000	25471	22753	20969	42252	23901	4319	5796	42206	69350	19252	6975	73365	17918	11730	7933	3192	53512	33977	38871	38288	43973	20109	8858	7092	25261	2969	15104	2837	3578	4355	2731	8181	4518	69748	4706	8794	9754	3073	24950	19442	5567	0	0	0	36919	40902	0	5399	4668	22261	23326	27563	0	51417	39707	15238	6308	7978	5051	6975	20810	72599	36713	13817	47054	10949	4660	25487	48099	42559	4758	3389	3450	3377	4558	0	6833	23179	24825	20168	26933	4724	19065	54034	24718	18289	7844	12336	5672	12627	16870	10474	29818	68152	0	20430	19263	29030	43988	43463	4561	6359	7605	28040	6673	37437	0	8585	71087	Phytochemical	0.47619048	0.95238096	0.0
14	C21 H20 O10	433.1129	433.11346	-0.12069349	433.11288	214875	211818	190533	196230	277281	125366	92223	115829	220389	586628	323779	91334	288834	104684	108811	119908	78653	234785	227219	393107	768500	387158	115135	135768	66680	221496	88663	233523	87532	85063	102723	103427	130788	90299	1362666	93790	124774	109134	78443	534458	281521	87446	5954	475	0	308623	451467	623	104231	100196	210545	198813	132550	830	206342	146692	97684	152724	146610	112078	160676	214243	303184	208334	86750	342918	126810	87749	299412	344068	375190	103479	81804	89524	60850	92667	442	92004	156876	214160	131606	281877	83014	165122	206148	118198	137815	113553	109221	130795	119358	144450	141671	308955	337333	1485	220524	194179	196346	180417	174158	111590	91193	125329	340323	113685	152449	782	78585	254288	Phytochemical	0.47619048	0.95238096	0.0
16	C21 H20 O10	433.1129	433.11346	-0.10760685	433.11288	236518	217873	213100	247510	252497	155761	84204	108610	265286	677887	305969	80779	367659	131450	115854	112329	73314	312396	301763	455830	433387	394345	152065	138113	86150	257878	77661	207383	93519	84788	109740	107980	142090	86727	1652376	91336	137030	107977	84729	328029	255281	90657	6680	1096	675	365297	405534	1332	120312	105017	243523	227154	179928	1148	270740	201683	118373	133444	120979	78421	133760	235516	395300	223068	101320	287878	146664	77846	273662	449602	397474	101429	91107	69299	62416	92976	1195	91237	177098	247422	136965	338831	99535	199355	268544	134320	161899	106342	120443	98496	137635	163526	194879	660570	408910	2039	227301	227761	210425	228459	222604	133907	77611	114913	277277	120741	208647	1196	101201	381450	Phytochemical	0.47619048	0.95238096	0.0
22	C21 H20 O10	433.1129	433.1134	-0.16056159	433.11285	63493	65931	56790	64374	81383	52961	13999	17308	94345	138140	48346	14064	118636	38181	26847	22788	10489	99875	68784	78089	72819	93803	53668	73836	24269	68027	12759	39280	16522	12740	13587	11772	23975	13598	150359	11793	26762	28119	13450	59836	51086	19265	0	0	1026	81287	93470	0	19304	15250	65980	65532	51379	769	91064	71961	38501	23824	23552	10888	21552	47951	137716	77603	31033	81047	35511	10979	56613	108715	90299	15060	10586	7061	9889	13143	1521	15168	78631	49947	57523	68214	16722	40331	98186	51256	86804	20284	46091	23387	809310	471478	31457	71672	117105	0	58577	69973	65885	79705	68801	17022	16259	16839	66025	35959	64113	0	20569	143246	Phytochemical	0.47619048	0.95238096	0.0
20	C21 H20 O10	433.1129	433.11337	-0.173162	433.11285	116138	128921	108705	98274	176050	113564	35943	50227	179295	316056	123478	36057	267491	93046	64127	46568	21151	225092	182614	212492	227443	212935	65973	69834	51429	142363	37452	80441	42394	32565	39495	40612	65150	43474	356691	28010	75648	50835	29184	166817	119895	51480	6201	928	854	194520	203776	2519	56548	40572	122955	115982	111812	1303	186915	132955	69148	65420	60570	34609	58811	122232	260171	148186	69187	195657	87400	30011	123918	213780	185810	47299	34459	24301	28779	34455	1064	44690	98800	110659	72652	168208	45249	123829	194291	94429	86267	50839	68251	39906	72324	98438	69621	169022	194537	1422	125408	122580	126423	153012	137413	60843	37560	57361	150258	56036	135280	1328	43908	286847	Phytochemical	0.47619048	0.95238096	0.0
10	C21 H20 O10	433.1129	433.11353	-0.14680341	433.11285	63771	61094	51810	54621	49833	29684	26453	33044	56872	315706	97198	35997	64400	27624	27491	46866	31927	55316	60182	98339	120074	78053	36755	44701	16079	67888	28831	61275	23167	26942	29201	34585	42751	29858	363986	30684	38380	33011	40651	67016	207090	23868	1202	0	331	79034	128504	0	33840	29343	68314	60967	32535	0	59316	44661	27446	44517	36248	45697	43639	60209	65741	55404	27796	50441	29979	49446	96440	94531	144273	32354	31545	22925	24053	32386	0	21256	57305	56960	47180	136046	25068	35820	58868	31833	43419	24681	30619	47492	38007	35493	38169	79335	83559	0	64906	55289	56054	53781	49102	39690	31474	40439	79388	32607	43992	0	25352	72021	Phytochemical	0.47619048	0.95238096	0.0
28	C21 H20 O10	433.1129	433.1133	-0.17422694	433.11285	9928	10844	9117	10401	20221	6669	3454	0	13961	23693	6832	2122	31643	7822	6286	4545	0	19999	18376	20721	20129	15133	7090	7296	3587	9059	2926	6173	0	0	3238	2184	3818	2416	28398	2349	4135	4560	2796	8929	10351	2948	0	0	0	12551	13239	1490	2739	0	9686	8909	11546	0	19131	15666	4505	3306	3321	2712	3746	6886	26403	13608	5022	20708	6047	2511	12868	21650	16948	2305	0	0	0	3032	0	4167	12598	11542	9820	8209	3806	8164	21537	8483	8009	3576	5206	3635	7382	8149	4540	10252	21003	0	9917	10989	10864	15036	19788	3135	3181	4176	8485	3853	10393	0	3836	22524	Phytochemical	0.47619048	0.95238096	0.0
18	C21 H20 O10	433.1129	433.1134	-0.116920926	433.11288	207090	225437	196556	211774	240631	163401	63948	92716	247825	578284	250187	65314	389005	133348	107889	93097	46362	334981	325041	410938	389557	333779	128340	108708	83163	226163	60260	172423	84788	58480	78795	88559	112751	82377	653669	71715	133176	94498	57754	264262	185789	90009	8594	1093	1016	312068	285247	1728	85309	67763	202301	221502	168748	907	307871	185479	108070	97357	105394	47266	102686	194356	394553	211831	96990	256866	138509	58860	203207	351225	295069	77784	68921	53187	44332	87345	1030	70298	158600	177476	135180	268771	70593	171323	260278	161762	130166	93287	117207	70130	842916	473702	139648	249581	359539	2273	208689	192687	212533	220744	194682	94291	65602	101638	207721	84495	179907	940	72867	385284	Phytochemical	0.47619048	0.95238096	0.0
26	C21 H20 O10	433.1129	433.1133	-0.16457821	433.11285	16173	14515	13059	12044	24316	14421	1789	0	27611	38387	8266	4274	46047	11702	6730	0	0	30233	25930	26956	23347	25275	10065	6669	7083	13633	1767	5533	0	0	2673	0	2906	3049	42214	0	5204	6722	3530	14475	12022	0	0	0	0	16914	24007	0	3118	0	11562	10981	13768	0	32370	25432	5879	5955	4453	3538	0	10153	47859	24123	6982	29057	7520	2345	16425	30980	27252	3264	0	0	0	2172	0	4442	15368	12941	14026	12606	2836	6841	32263	11702	7927	7511	10546	2377	7554	6511	7068	20159	41272	0	14170	16470	16193	26061	25410	0	6171	0	10045	2707	13842	0	4028	49024	Phytochemical	0.47619048	0.95238096	0.0
8	C21 H20 O10	433.1129	433.11356	-0.15972689	433.11285	19978	23238	14058	25074	17421	13337	9293	12688	22898	55340	35296	13976	22411	7563	12658	16881	17113	20122	22240	32234	46385	25993	14555	17151	4694	17191	9628	15963	8016	10194	9977	12829	12347	10435	68065	9200	11800	12468	16759	21722	83980	9699	0	0	0	22789	45814	0	13305	11988	20096	26200	12535	0	24576	16750	10839	12499	11388	18636	15109	18299	30660	22458	11370	20978	11312	16356	38430	30472	61336	11807	10583	9972	9406	11582	0	8761	22499	13022	15433	18311	9277	13937	22420	11331	15499	9910	9901	20123	0	13559	12310	25712	32942	0	19869	21206	26340	25994	19303	12002	11866	15243	16375	13781	17871	0	8635	25795	Phytochemical	0.47619048	0.95238096	0.0
6	C20 H20 O9 N2	433.12415	433.12485	-0.13859886	433.12408	12872	15625	14277	17362	14338	5001	4741	10206	16166	39805	29415	7504	25850	5484	8786	11927	9358	16363	18148	23466	44595	30533	8097	9636	2711	7539	3743	9706	8281	5764	9317	8599	11907	6188	47810	6914	11608	7308	14330	22034	44307	6194	0	0	0	20170	49535	0	8957	7062	16335	16028	9479	0	21536	14549	6270	11103	7644	12684	12519	17081	34109	18401	6307	17172	9360	15179	17277	15215	36345	8008	7980	4906	5993	5949	0	3809	10312	13972	7467	16267	4622	7531	17226	8756	10809	8767	9510	17766	3435	13683	15202	24373	29233	0	18866	14455	11543	20570	18829	10403	5904	9763	23360	12027	11956	0	6401	28471	Phytochemical	0.45	1.0	0.1
18	C20 H20 O9 N2	433.12415	433.12463	-0.16274019	433.12408	40726	36168	36296	31122	29855	26324	16235	16133	28854	82818	38604	16844	46028	16209	17734	15618	14517	39076	35720	48193	54482	75359	21908	26307	18921	21542	13846	25100	11012	10914	17982	20481	32151	18449	91693	12131	26980	18925	18206	62600	52309	15496	648	0	0	63459	64040	0	21992	13202	30367	25950	25979	0	43761	30930	14066	27171	19257	16589	23438	48152	58115	36348	13591	37268	23389	22129	25973	37677	40369	14017	8676	7441	10459	14393	0	14284	30376	46898	29328	44674	18315	37524	35511	18536	35128	20420	20975	25681	33555	37430	49942	50848	87336	0	31023	37999	20975	28013	27987	20625	14491	27094	40549	26432	24523	0	18893	52744	Phytochemical	0.45	1.0	0.1
8	C20 H20 O9 N2	433.12415	433.1248	-0.17547047	433.12408	41640	44329	29703	43334	32477	18702	14073	23666	35183	98922	59918	19935	51625	13105	15360	25863	23976	33045	41969	69466	97150	85382	21233	29813	9538	18695	11736	32160	17941	16801	22042	22415	27512	19447	118823	18149	28785	17447	30570	69297	105793	16718	0	0	0	75553	127987	0	26832	22214	39232	38746	21341	0	42842	30033	15651	25950	21434	28438	28079	54506	66230	39720	15311	43583	22504	32724	48531	48487	91335	18294	19847	16840	16629	16368	0	15609	26040	41033	20829	47202	14280	32670	40413	15447	26061	21078	21594	44065	23983	32597	41012	71183	74052	0	41415	37108	29844	42319	32294	26994	16209	34613	50946	23968	29834	0	15308	55065	Phytochemical	0.45	1.0	0.1
20	C20 H20 O9 N2	433.12415	433.1246	-0.15440217	433.12408	34492	30060	30108	32379	36972	22788	16437	9927	24866	95011	71762	10485	35457	21974	13303	6336	14716	29093	34252	41817	54622	57264	20232	26542	13767	131651	12350	62486	12439	7437	15036	5023	19136	12146	93621	4201	16742	16645	14556	56979	54295	17622	610	0	0	44227	57660	462	14308	7922	36539	31462	26304	0	23005	20193	19483	15672	14534	14047	14721	42146	40002	28357	17361	34310	23896	14841	120455	117191	173030	9199	4940	10706	7704	6748	0	10750	26702	52639	20212	33277	10145	41356	33942	20283	28414	22847	13183	21855	26559	32004	32264	53649	75585	0	32066	26732	25674	24718	22674	17088	10289	16579	37112	20702	21465	0	17070	45738	Phytochemical	0.45	1.0	0.1
22	C20 H20 O9 N2	433.12415	433.12463	-0.112041935	433.1241	7540	8355	3067	3534	6521	5283	3485	5269	4285	14511	5974	4275	5819	0	3711	3483	2738	7215	6378	5368	4747	14196	4172	5431	3745	1639	0	2547	0	1927	2355	0	4303	1810	14271	1199	5080	1851	4312	8099	10538	3141	0	0	0	10820	11378	0	2088	2161	6224	5299	7222	489	8323	7071	3684	5021	2320	3000	5043	11758	7907	6831	2988	6458	3380	3359	0	4418	7825	3067	1979	1148	3367	3007	0	4284	6845	9668	2892	10135	2907	2863	5170	4454	5665	5772	2516	4314	6453	7137	6470	13217	20746	0	4341	4777	3190	4689	4373	2865	1995	3331	13208	5852	4429	0	3664	12971	Phytochemical	0.45	1.0	0.1
16	C20 H20 O9 N2	433.12415	433.1247	-0.14258923	433.12408	64876	51623	60275	65785	52651	38143	24883	33053	62253	136802	60446	27481	87253	23266	37058	43963	26242	65784	77235	90464	112739	125221	40522	51661	26831	39284	32598	34188	29933	22934	23235	27731	52805	23371	166779	25915	49744	35817	36761	109010	100269	29003	1442	0	0	98314	129006	0	36561	26142	51619	60043	40995	348	66448	44499	30157	34630	41623	31045	54997	81771	95957	51840	21271	63791	38540	32904	59163	84352	81580	34477	28890	16929	25846	24104	0	27818	51981	72345	31820	77044	30200	71711	61813	28320	52151	35102	32957	62386	46004	67452	108057	93697	126778	0	64184	61194	37094	46604	45043	45952	23206	44020	80862	41585	39138	0	33453	91478	Phytochemical	0.45	1.0	0.1
14	C20 H20 O9 N2	433.12415	433.1247	-0.1752972	433.12408	77228	81605	70054	72970	65560	46864	35784	49667	76601	173701	98683	33488	115802	28634	38513	52315	47499	74217	78705	123580	148783	174731	45728	51779	38446	56219	33685	66946	38995	33758	37146	37200	66613	35633	208068	34511	53805	34954	50134	140609	157940	34220	0	0	0	117566	184705	0	39007	36625	72963	78175	50306	0	88708	59109	32953	65560	59461	43946	49276	118040	103034	69856	34761	76858	42081	50766	73661	109102	127731	36261	27129	27891	28098	32581	0	33097	64708	104826	44572	94703	29820	71312	69228	30386	54868	41840	40286	78354	64953	71111	97598	123844	126433	0	74455	66304	43956	61198	60997	50118	29602	61351	100945	50557	45682	0	39334	104521	Phytochemical	0.45	1.0	0.1
22	C25 H20 O7	433.12817	433.12866	-0.11861846	433.12814	8574	12874	8088	8508	10006	3262	3015	3172	11541	32063	38748	1600	4268	0	3589	3770	2347	4373	11182	16752	22215	8724	4400	3042	1727	72622	4391	30241	1469	0	1198	0	2899	0	31501	0	2640	2307	1534	13888	24937	2275	0	0	0	15590	22553	0	0	1233	9955	9299	7638	0	7048	4833	5229	2345	2452	3756	3032	12504	4985	4409	7110	7746	8634	2843	67443	63877	73982	0	0	1790	1334	1709	0	1628	5617	15189	4689	12863	4304	15962	12745	6373	7917	6078	4933	5869	5144	7146	5057	17528	17319	0	11066	9638	12277	7771	7275	2400	1771	4449	8092	2525	8297	0	2136	6434	Phytochemical	0.28	0.8	0.0
18	C25 H20 O7	433.12817	433.12857	-0.38969392	433.12802	4998	7086	6716	5300	2537	2022	1625	3104	3002	14134	13705	1507	2382	3790	4611	3473	2468	3364	8544	7655	7416	7472	2233	1927	2633	29461	1292	8695	0	0	0	0	4275	0	14540	0	3408	1075	1907	8088	7059	0	0	0	0	6126	6942	0	2433	0	6789	5956	2284	0	2610	1937	3340	3493	2922	3753	2875	4787	4404	4085	1909	4330	3581	0	28132	25518	38896	2379	1840	1247	2797	0	0	2163	5092	2964	2157	4857	3359	5382	4239	3099	2539	2203	3324	4966	6715	4238	5394	6787	8267	0	5560	3617	3814	2339	5072	1716	2052	2522	3296	3541	1445	0	3087	3326	Phytochemical	0.28	0.8	0.0
24	C25 H20 O7	433.12817	433.1286	-0.096111886	433.12814	4970	5762	4593	6718	3766	3222	1249	1458	5611	14725	21113	1146	4876	2323	1301	1961	0	5917	6528	7371	11541	8452	2984	2592	1357	42399	0	11974	0	0	1200	0	2310	1301	20355	1201	1747	1420	1195	8907	14609	0	0	0	0	7448	15318	0	1554	0	4843	4707	3206	0	2852	3562	3336	2651	1525	2541	0	6622	4126	3264	2865	5495	3949	1900	42457	30223	46714	1162	0	0	0	0	0	1627	9275	8341	3509	7352	1586	11592	9024	3769	2638	3760	3928	1794	0	1495	1879	9248	10063	0	4014	4429	8551	6244	3696	1289	1783	1722	6848	1993	6847	0	1280	3408	Phytochemical	0.28	0.8	0.0
26	C25 H20 O7	433.12817	433.1286	-0.19670686	433.12808	0	0	2800	0	2408	0	0	0	0	5422	8100	0	0	0	0	0	0	0	0	0	6444	3112	0	0	0	17456	0	3207	0	0	0	0	0	0	6877	0	0	0	2167	4445	4813	0	0	0	0	0	0	0	0	0	0	2844	0	0	0	0	0	0	0	0	0	0	2503	0	0	2099	2038	0	15338	10844	22001	0	0	0	0	0	0	0	2388	0	0	0	0	3627	0	0	0	0	0	0	0	0	0	5591	7722	0	0	0	2874	2516	0	0	0	0	0	0	0	0	0	1971	Phytochemical	0.28	0.8	0.0
20	C17 H24 O11 N2	433.1453	433.1459	0.2832767	433.14542	9130	6709	8705	5544	8500	4278	3008	4405	5732	15427	13874	4812	5686	2721	4877	2677	0	12699	8198	10783	18786	10364	7892	9227	3454	19898	4028	8494	6735	6753	3587	9830	8594	12061	15242	14985	4900	8662	4252	11376	14528	2779	1442	0	0	2418	11532	0	4921	0	7332	4730	5031	0	3724	2500	5182	8430	5483	9292	6500	11379	8360	2562	0	3364	4804	2734	17791	22300	24502	11734	10272	8164	13948	7122	0	7966	10241	15957	8699	8670	10022	0	1889	4499	1821	5779	9024	8332	8609	11955	9834	11111	6927	0	9936	12427	0	4425	4870	0	5120	7820	8567	7833	9448	0	3476	9136	Unclassified	0.64705884	1.4117647	0.11764706
14	C26 H24 O4 S1	433.14682	433.14706	-0.6392879	433.1465	0	6766	5410	4255	4835	7320	5066	5318	14114	0	4459	6692	10222	4863	7286	0	0	11298	2958	0	12068	6717	10407	0	7487	7309	10151	8237	7155	4428	4516	0	12300	6557	17582	6418	9428	8614	5001	11984	6883	7136	0	0	0	5697	0	0	11223	0	5531	5606	7157	0	8873	5302	4872	0	9284	0	0	19712	10327	5845	4894	9286	12579	9825	0	9367	8450	8063	5528	4182	22222	4452	0	3877	5697	0	8065	8951	3737	4611	4976	4325	10754	8901	9155	0	14156	7970	9736	7476	5823	0	6275	6293	5688	7536	5976	6740	8540	8134	0	6337	11020	0	5906	10195	Organosulfur	0.15384616	0.9230769	0.0
10	C22 H24 O9	433.14932	433.14987	-0.16468911	433.14923	78421	150296	140844	138344	37292	31031	52285	75272	54424	141700	166432	52790	96474	29762	47001	81064	57550	42884	61707	256356	127354	156464	54509	86059	38900	240428	60191	52395	58218	67439	64204	68672	74955	53425	265478	62808	65259	58991	74512	171600	214202	34761	2654	526	1119	181102	221314	898	70639	69740	154020	146708	36105	792	57006	35672	30495	79921	72353	70332	79608	64308	53775	43174	30006	48312	40658	77314	143285	271304	327068	61846	65286	60067	51283	61694	635	49520	75570	48871	67894	136434	56004	63126	56017	29810	62817	29132	39439	167134	56788	60474	72096	113090	157110	1484	79219	151254	42960	42168	43656	64036	52202	81105	61428	57717	42921	0	51707	44871	Phytochemical	0.4090909	1.0909091	0.0
20	C22 H24 O9	433.14932	433.14978	-0.1327895	433.14926	405567	408154	374920	359473	400245	299634	155986	281454	439015	1089008	429328	165917	606253	256483	250085	249872	130314	507194	485039	888788	789553	471759	281971	272767	220186	679666	138759	342461	248502	207915	222165	216674	278356	228584	1164613	211050	350634	201495	137073	601304	345448	185453	13242	3525	2134	532591	416533	3537	250424	213425	401326	407719	278259	3168	472285	343803	192208	279505	261905	132478	256392	372289	595962	370456	160891	407410	236174	147415	548498	1115062	809661	257297	222495	214472	137684	233991	2139	201761	324169	222326	254898	342894	190379	418285	389860	234659	255890	183538	214507	177048	305812	343239	357845	298455	403692	3665	370780	371998	351149	330623	325585	242077	179672	284870	325887	245311	299413	3286	195655	664077	Phytochemical	0.4090909	1.0909091	0.0
8	C22 H24 O9	433.14932	433.14996	-0.17376542	433.14923	24934	26765	15981	22964	10104	11233	15833	26683	15487	33905	24737	20153	14974	7582	14481	25132	25349	13531	15054	39012	88838	66796	20068	33090	11547	53660	17323	17368	18898	19773	21300	25451	22686	19089	89824	24661	20548	19532	30432	24299	72150	10146	805	0	445	29996	80402	553	23325	21355	24377	27725	10939	551	18965	13418	12040	20049	18137	23270	30223	22746	13888	16018	7825	10451	11061	25869	31847	74848	113414	22746	19657	22520	14978	25330	480	14778	27231	16672	23811	23115	19923	40986	17007	8783	22875	10825	15002	26520	12292	17612	21192	18446	44430	678	29026	31163	18999	34648	15266	17825	15777	26714	21846	16535	15843	426	19448	17495	Phytochemical	0.4090909	1.0909091	0.0
6	C22 H24 O9	433.14932	433.15002	-0.12283789	433.14926	5378	8966	3837	6092	2430	2619	4474	7165	4727	9452	4808	4763	2884	2282	4376	6002	5786	3014	4263	6955	20724	6860	5354	8007	2674	5062	4184	0	5311	5645	5829	6763	7460	4042	20068	5135	5925	3796	6886	4812	9846	3497	0	0	679	5806	10341	371	7886	7670	5495	5380	3028	369	3888	3842	2425	5546	7169	7919	6485	5198	3453	2725	3206	2635	3329	6762	9764	8007	8845	4620	6252	6352	3840	7017	545	4265	5236	0	5555	10526	5135	4713	2590	2691	5234	2787	3736	6948	0	3601	4734	9204	5396	650	5932	5689	3411	3813	3222	5119	6440	8176	9454	5181	2948	0	4826	4725	Phytochemical	0.4090909	1.0909091	0.0
16	C22 H24 O9	433.14932	433.14984	-0.09068196	433.14926	608474	717562	614044	635025	551814	367210	308914	515705	590873	3006253	1636511	340170	653001	297540	422330	471101	327214	617771	686006	2759134	2547804	1382214	474923	559689	351476	2494399	296886	611419	418823	405905	480853	514554	492778	403842	3567326	454118	524643	385545	363816	1873957	1474473	276527	16534	2345	1737	1498462	1523199	2674	538883	472919	669077	626060	411368	3486	547269	400646	287748	528101	451609	353513	540776	1249425	689642	509556	241131	545267	376891	360330	1009529	3416201	3076411	535577	478965	469143	346492	480789	2290	350584	524736	446587	458640	1273175	412011	1373807	557115	307655	445300	302031	338733	466903	449112	502899	573092	940706	1328654	6798	626655	602008	498268	425626	398319	455249	315021	525728	479277	498379	432762	2361	390382	683512	Phytochemical	0.4090909	1.0909091	0.0
4	C21 H24 O8 N2	433.16055	433.1613	-0.18006612	433.16046	10333	10584	10715	11417	6754	5820	4090	9354	9675	15539	11676	7040	11437	3729	6629	8809	9489	9374	12460	15360	21666	19012	7744	11309	5166	10397	6244	7338	6181	7037	6141	6893	7936	6052	25718	6617	8565	5584	16221	18733	22659	5165	0	0	0	13071	20889	0	9123	8113	8783	8327	6285	0	12662	9007	4385	9494	5590	9152	7988	12447	12933	9468	4732	9743	6783	11797	12727	11883	19812	6419	6387	6780	3947	5761	0	5540	9951	10017	7752	10508	5664	8981	8647	5951	9410	6297	6535	13403	9941	11465	16897	12699	16636	0	10851	11610	8790	10032	9344	7847	4609	12504	10129	6992	6145	0	5306	12369	Phytochemical	0.3809524	1.1428572	0.0952381
20	C26 H24 O6	433.16455	433.16498	-0.26572305	433.16446	11739	10955	12987	7879	6329	4480	3356	6678	8773	11648	15378	3763	9903	5327	8608	7861	6532	7931	6594	21457	17501	9020	6080	7454	5711	51997	4990	16075	4838	3127	3773	3897	3379	4593	17887	5044	4638	5338	6903	21835	22591	4712	0	0	0	5661	13032	0	4032	5816	9716	11258	10592	0	5206	10970	5461	5574	4313	7099	4742	9627	8148	3861	3671	11137	7151	8688	47336	52616	87276	2917	4510	2826	3869	7063	0	4710	9135	13768	10204	5329	6671	20748	8558	6418	14157	4351	3885	15117	12931	6632	13250	9626	7048	0	11204	6498	7804	8302	9458	7885	3092	10919	8208	3604	7733	0	7707	7361	Phytochemical	0.23076923	0.9230769	0.0
26	C26 H24 O6	433.16455	433.16492	-0.19050533	433.1645	5210	3274	4345	2298	6750	2357	0	0	3258	6712	12990	0	0	3272	0	0	0	0	6498	8548	8092	4934	0	0	0	32933	0	12277	0	0	0	0	0	0	7192	0	0	0	0	5802	13215	0	0	0	0	5958	6882	0	5800	0	4951	4006	4512	0	0	0	0	2501	0	0	0	4948	0	2954	0	6271	4448	0	46880	19267	36282	0	0	0	0	0	0	0	5430	6560	0	6704	2530	9829	7973	0	6548	2973	2368	3773	0	1627	0	8490	0	0	4358	0	6986	10399	6231	0	0	0	0	1733	4599	0	2761	2484	Phytochemical	0.23076923	0.9230769	0.0
6	C20 H24 O7 N4	433.17178	433.17242	-0.1981821	433.1717	10703	12348	10573	9115	4191	4989	8583	12680	5990	6420	2749	8624	4399	2306	9623	15494	11391	6037	7093	7774	10589	0	10838	18971	8614	1537	5868	4427	10284	8420	12302	13006	15577	9023	8833	9661	14020	9059	12686	9546	14572	5025	0	0	0	8607	8409	0	12804	10271	11014	12927	5072	0	6214	2269	4751	15782	8159	9291	15354	6201	7486	3855	2451	4643	6694	13330	2241	4739	4862	10239	10550	8148	4886	8691	0	7997	10065	7901	7811	5728	7890	5089	4451	4397	10719	6927	6308	27154	18692	18604	26298	6405	9954	0	11014	11661	2585	2299	2904	14540	6030	12849	0	10896	2947	0	9458	4186	Peptide	0.35	1.2	0.2
10	C20 H24 O7 N4	433.17178	433.17227	-0.26164982	433.17166	10483	11838	0	11936	3298	4995	8440	12313	4144	8403	4877	8735	4749	2621	9067	14207	10989	7247	9822	7734	7965	16135	10030	0	11837	0	7994	0	11106	10315	11458	10894	14614	9067	11457	0	11996	9736	15127	11508	10599	5098	0	0	0	8943	9019	0	0	12621	12492	9200	5455	0	7925	2931	4532	18352	9119	9830	0	7555	5499	5002	3597	5592	7884	15500	0	0	0	11566	9044	11771	9222	10100	0	8996	12162	6845	9750	7749	9646	6697	4647	4693	11765	8174	6742	17863	20372	17002	27971	8401	6714	0	9047	10660	4258	3815	2929	0	5366	13101	0	14767	3503	0	11432	7155	Peptide	0.35	1.2	0.2
22	C23 H28 O8	433.1857	433.18613	-0.13636892	433.18564	622359	600965	544083	579180	534543	462664	231545	540749	627003	1397375	599119	287978	673321	362303	450994	467198	233998	820027	659861	1341027	1228608	627095	495200	566269	457304	1080521	218674	551228	506322	402049	463319	452053	536155	436086	1511794	437723	642851	403381	253649	794465	482769	289831	15584	4494	3026	617699	416399	3777	483779	436165	584887	577539	420873	3576	723742	482568	299497	493066	453057	212061	487982	547531	766989	552838	237007	575139	378169	264592	917519	1979297	1317202	524541	426824	425738	220793	445831	3226	388086	528120	272721	449503	359550	336905	477000	550253	354244	464035	322140	386587	350490	551718	623968	651264	351769	545432	6528	585492	577003	437084	468019	399344	488872	319667	544806	370080	466419	407878	5717	342763	830525	Phytochemical	0.3478261	1.2173913	0.0
20	C23 H28 O8	433.1857	433.18616	-0.115388475	433.18564	1194972	1165443	1196004	1027381	1023964	830221	552718	1052169	1122618	2568117	1195021	606444	1281779	673086	923859	965736	510733	1212709	1338000	2576076	2401748	1144287	912055	1117111	803181	2328745	497951	1096000	1003362	884685	906404	924098	1084684	894525	2655497	882254	1179500	705867	560031	1612124	1017819	665235	25115	6833	3154	1141924	839684	6030	1000805	852290	1126868	1155504	811695	4363	1205823	873551	573539	1064497	941318	514602	965450	957065	1255053	1026969	454283	1038696	698480	581845	1855303	3434470	2749953	1021195	945545	915669	597881	906487	2874	761566	1016100	550061	853775	645997	760172	1041264	978346	606248	890016	581252	721981	687816	1037917	1091726	1265272	691748	935826	10195	1185328	1122624	845465	802574	764551	997123	662373	1157713	675847	897834	741073	7429	674279	1472683	Phytochemical	0.3478261	1.2173913	0.0
18	C23 H28 O8	433.1857	433.1862	-0.104268536	433.18564	1286115	1230668	1223972	1117791	962768	746190	707940	1186098	949074	2277068	1367768	685377	1217333	598507	940093	1125068	692753	1109974	1332221	2534414	2244176	1124887	1007978	1294150	758035	2461351	638932	1242202	1058879	974456	1042795	1097131	1161468	950795	2290696	1027648	1130330	835944	837537	2950056	1268216	660605	24735	3645	3311	1074251	867320	3837	1130478	1022038	1206444	1199674	826359	4950	1190794	843671	575934	1176094	896357	669513	1088112	1014019	1222508	938006	495138	1022679	724896	858443	1998444	3169116	3048768	1039612	881738	1021798	786001	1095279	2385	729149	1147649	627338	1045286	810715	819916	1022609	984734	668757	993065	670393	753238	862177	1004141	1132705	1315828	693025	999988	7221	1214932	1138900	868189	802731	806990	1040580	697615	1188312	558646	908495	750479	4542	824560	1186137	Phytochemical	0.3478261	1.2173913	0.0
6	C17 H28 O9 N4	433.1929	433.19354	0.09490356	433.19293	3260	3132	3320	2131	0	609	0	0	0	1325	4904	0	615	0	1370	0	0	0	0	0	0	2180	619	1362	792	0	0	26880	0	0	883	1366	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	706	3550	2539	0	0	605	0	0	1816	0	0	0	0	752	0	0	0	0	0	0	0	0	0	0	826	0	0	0	783	0	103153	600	0	0	0	0	0	1190	752	0	2319	191933	68313	1558	25630	8593	0	4603	3405	0	0	0	828	762	0	0	0	0	0	771	0	Peptide	0.5294118	1.6470588	0.23529412
4	C17 H28 O9 N4	433.1929	433.1937	-0.022576937	433.1929	2679	3167	2830	2365	373	1317	392	1330	0	0	6244	448	740	0	412	0	0	459	0	0	0	1526	737	751	823	0	0	24937	0	0	0	0	914	906	0	0	0	729	1535	0	0	0	0	0	0	0	0	0	0	0	2426	2441	740	0	447	0	379	1340	0	0	948	0	268	0	0	722	350	0	0	0	0	869	0	1293	0	0	0	495	757	157520	421	0	0	0	0	567	581	0	0	857	175466	54587	1507	29201	6346	0	3002	2227	0	0	736	1434	0	0	0	1199	414	0	0	545	Peptide	0.5294118	1.6470588	0.23529412
8	C17 H28 O9 N4	433.1929	433.19376	0.06433678	433.19293	2171	2098	0	0	0	0	1118	0	0	1412	0	0	0	0	0	0	937	0	0	0	0	1211	0	0	0	0	0	9845	0	911	0	0	0	0	0	0	0	0	0	0	813	0	0	0	0	0	0	0	0	1094	1813	2731	670	0	0	562	0	0	0	0	0	0	0	0	0	0	0	1749	0	0	0	0	0	0	0	0	0	0	1015	46563	0	0	573	0	0	0	1105	0	0	0	108438	37705	0	9126	3473	0	1613	1186	0	0	0	1415	0	0	0	0	0	0	0	0	Peptide	0.5294118	1.6470588	0.23529412
20	C27 H28 O5	433.20096	433.2014	-0.2581282	433.20084	13286	10516	9739	9819	8695	5315	11404	10444	7222	8541	11551	6701	3821	8091	9966	16055	11498	5250	11465	12552	16540	9963	12313	14733	9295	33485	7864	8339	8908	9518	10699	10421	11066	8203	6526	11575	11449	6144	15654	8920	18069	8651	0	0	0	5421	13393	0	12857	9505	8748	11699	7809	0	7791	6697	7299	13363	5420	10732	12371	7254	7835	3451	4507	5384	6853	11051	24973	27822	49847	5648	7252	7637	13912	7663	0	5303	16498	12029	14191	4416	7907	8985	8361	5115	20808	7446	6399	17900	9960	10982	19191	11493	8880	0	10435	12662	7808	12470	9597	11396	9005	10747	4699	7650	13150	0	17473	3174	Phytochemical	0.18518518	1.037037	0.0
22	C27 H28 O5	433.20096	433.2014	-0.21246523	433.20087	42729	31791	35908	35873	38973	31184	24862	46498	36468	40318	46209	25962	22582	12499	47222	47252	30336	12452	46320	60873	57145	37988	32631	55271	43638	103909	21383	53460	46272	39221	45922	19017	51601	45657	58540	49917	72369	38532	36951	53952	63789	36409	0	0	0	35008	31054	0	45420	33205	45058	34570	33731	0	29865	27235	22399	46496	31820	41944	48722	39831	30520	24885	18163	27618	40120	49164	87313	94419	127614	38446	27881	24740	15949	35355	0	34044	39528	31256	31767	27037	35648	40437	32042	19074	53989	31546	33363	54567	69069	77516	72094	38560	44102	0	38919	41003	23390	27855	20385	60830	24647	48307	20119	58153	32223	0	45904	32858	Phytochemical	0.18518518	1.037037	0.0
26	C27 H28 O5	433.20096	433.2014	-0.19944863	433.20087	14992	8799	12038	9580	14257	6777	3678	9595	11140	13999	25070	6779	8534	7708	7540	6332	9160	7848	13298	20094	14998	11820	6842	13118	9930	68458	5357	24567	8306	9973	11150	7721	12940	8014	19665	10131	9559	6826	9655	18731	23095	7274	0	0	0	12973	11710	0	5653	7826	15088	14216	11111	0	9945	11233	6986	11240	5942	6716	11245	9890	9755	7131	5436	13590	18657	9981	71093	36190	55417	10655	9443	0	0	7455	0	6050	13880	11408	11873	12122	9474	18457	18456	9658	12600	9740	8530	10455	9257	7104	14788	14332	6658	0	13587	13771	12349	15493	16072	13641	4884	15699	8316	8946	12669	0	10138	7833	Phytochemical	0.18518518	1.037037	0.0
24	C27 H28 O5	433.20096	433.20135	-0.21985815	433.20087	24743	22771	25157	24093	24616	14500	8356	21988	18541	27515	49710	10633	19311	14071	18421	26927	18158	15684	24353	36194	40516	23851	16410	21654	19310	129519	9333	43233	14073	20069	16515	16899	18696	14734	32426	18299	16774	13617	20374	36258	44921	13415	0	0	0	23058	86769	0	16275	18467	24794	20624	21388	0	14880	18108	14661	24037	14898	14203	21365	21806	16389	13642	10933	21439	21040	23735	104583	81611	123506	14129	13363	11728	10313	19420	0	13578	25414	22341	20237	18712	14435	35236	27743	16163	32754	17920	20795	23524	13763	11095	29070	20888	21207	0	23847	24289	18700	23300	28791	17939	10283	25232	20613	19833	25168	0	19849	17652	Phytochemical	0.18518518	1.037037	0.0
6	C21 H28 O6 N4	433.20816	433.20874	-0.27731788	433.20804	6616	6590	3860	5571	1621	2409	5626	6789	1555	2377	1674	4031	1317	1691	6215	8962	6432	2340	3001	3605	3241	7289	5125	6748	5904	0	5022	6841	8080	6456	5870	8037	9483	7080	3187	8795	8230	5422	7903	3535	4500	3790	0	0	0	3295	4831	0	10056	7717	5121	7882	2277	0	1617	750	1516	8840	2072	1774	9182	3107	1000	1182	1400	1564	3358	10690	0	0	0	7460	7641	6394	3580	7672	0	3383	5017	52926	4756	1721	3002	2248	1540	1661	6142	4403	4624	10244	26180	12727	12160	6964	5878	0	6923	8168	929	426	557	8177	3071	4516	0	6362	0	0	5970	2410	Peptide	0.2857143	1.3333334	0.1904762
10	C18 H32 O8 N4	433.22928	433.22943	-0.029417062	433.22928	0	1109	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14070	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24838	0	0	0	0	0	0	0	0	0	0	43673	9437	0	5166	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.44444445	1.7777778	0.22222222
2	C18 H32 O8 N4	433.22928	433.23	-0.12420926	433.22925	7088	5794	7628	6656	1866	63368	931	1805	1551	875	3679	1298	8933	2916	1935	2608	1792	25367	7574	467	1306	2656	1937	3238	1638	0	0	105831	4739	1113	2959	2551	4279	3716	863	2448	16584	1629	2480	0	0	0	0	0	0	302	0	0	2468	1479	6844	6314	2300	0	2115	631	865	4065	210	0	2345	0	4052	1381	0	11742	1787	1323	0	269	0	2831	3342	1674	971	1432	0	2226	2349	718716	1326	0	0	0	631	1132	2188	3070	1160	4745	131605	61562	11687	53475	547	0	7638	7103	1191	658	814	1716	1613	369	0	3443	1236	0	1301	9033	Peptide	0.44444445	1.7777778	0.22222222
6	C18 H32 O8 N4	433.22928	433.22995	0.025751036	433.2293	9439	14276	10094	10890	1111	5658	0	0	822	3275	15734	0	655	1188	0	998	0	1041	0	0	0	933	0	0	932	0	0	239312	0	0	0	0	934	949	0	0	0	515	0	0	0	801	0	0	0	0	0	0	0	0	14028	10178	0	0	0	0	0	0	0	0	0	0	825	0	0	676	0	0	0	0	0	0	0	0	0	0	0	0	0	473482	603	0	0	0	0	0	0	0	0	1131	953582	319669	1709	81998	11629	0	13119	12342	712	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.44444445	1.7777778	0.22222222
4	C18 H32 O8 N4	433.22928	433.22998	-0.007270997	433.22928	10370	9407	8378	8248	420	17003	423	842	353	0	12493	0	760	0	633	1745	0	2370	0	0	0	874	447	741	723	0	790	147206	0	481	564	0	1884	0	0	0	1305	709	0	0	0	1796	0	0	0	0	0	0	0	0	9661	7659	497	0	252	0	0	889	0	0	0	0	0	270	0	605	0	0	0	0	0	506	0	0	0	0	0	346	753	684769	373	0	0	0	0	544	451	0	390	619	782621	267605	766	63145	8608	0	8979	8681	616	0	0	0	580	0	0	1087	264	0	0	1177	Peptide	0.44444445	1.7777778	0.22222222
8	C18 H32 O8 N4	433.22928	433.2299	-0.026080515	433.22928	3120	3039	1822	1692	0	1142	0	0	0	0	6256	0	0	0	799	0	0	0	0	0	0	0	0	0	734	0	0	89593	0	0	0	0	0	0	0	0	0	0	0	0	0	713	488	0	0	0	0	0	0	0	1967	2032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	112990	0	0	0	0	0	0	0	0	0	0	219740	85137	0	22193	2819	0	0	1484	2022	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.44444445	1.7777778	0.22222222
14	C23 H32 O6 N2	433.2333	433.23376	-0.25627604	433.23322	9462	11790	10966	10019	4134	2619	7123	14784	2676	11731	6789	7198	0	3429	8658	12641	11354	1438	3865	18325	14221	11817	6157	15871	10659	6339	8224	8037	11907	7990	11797	12104	15028	12828	11797	13498	16328	5782	12939	11732	9414	3223	0	0	0	5787	5376	0	13803	8047	9909	11046	5486	0	2805	1366	2935	16002	0	7492	0	6359	2273	1645	1728	4708	4177	12803	0	16913	6628	7393	7944	9497	11875	12756	0	8236	5865	0	4731	2764	3460	10244	1909	2524	12160	4684	9472	23969	22490	8541	22434	7057	14584	0	9987	9327	995	1309	1748	18313	7902	9611	0	17764	1899	0	7275	2139	Lipid	0.26086956	1.3913044	0.08695652
16	C23 H32 O6 N2	433.2333	433.2338	-0.2615434	433.2332	8017	10612	8336	11469	2490	7828	9785	12357	0	6038	5549	6478	2213	3065	6455	15838	16823	3100	5410	16044	12192	11307	8495	14917	7809	5786	8793	6916	8148	11345	15742	15505	16294	7141	12022	12146	20036	9349	14646	15008	7458	5469	0	0	0	10362	6791	0	18143	9049	11137	10145	5438	0	2491	1891	1336	14738	8030	10518	14339	8575	2017	2674	2259	5344	7249	14407	6234	10327	9584	10395	12292	11445	12753	13555	0	5385	11522	6639	4332	5532	9162	7127	2380	2569	10969	4235	7538	0	17776	17175	0	5607	14516	0	10150	6456	1474	1833	1482	14832	7400	12165	6670	17323	2385	0	9639	2405	Lipid	0.26086956	1.3913044	0.08695652
8	C23 H32 O6 N2	433.2333	433.23392	-0.18983622	433.23325	10583	12886	10433	10635	3088	4142	6855	14959	2637	8910	6678	4824	2276	1558	6856	16570	10416	4158	6221	19719	16323	15096	9506	14586	10068	5007	7846	6456	11928	11162	11400	11813	14909	12419	17731	12420	12754	6768	12328	15018	5927	5727	0	0	0	8442	7488	0	15903	11724	9338	11924	4265	0	3713	1828	2231	15280	0	1182	13319	6005	2535	2527	2799	3420	5039	13262	5433	11430	8593	12763	10696	8687	8990	10187	0	8202	7623	8247	4920	2049	2265	9043	1772	0	9885	4686	4177	16681	21071	12153	22594	6795	16209	0	9642	10773	1507	1865	1832	11529	6969	15804	0	11569	1839	0	8466	1630	Lipid	0.26086956	1.3913044	0.08695652
12	C23 H32 O6 N2	433.2333	433.23386	-0.22579108	433.23322	7277	11241	6205	8837	3276	5170	7119	11503	2518	9013	8092	5280	2495	3405	8476	10638	9200	1648	6888	18306	14431	10009	6385	14760	11065	5024	4997	0	11222	9576	12725	12036	19673	11317	20740	12950	15079	9302	12710	18353	10029	5733	0	0	0	10994	5557	0	15641	7169	7101	7282	6078	0	4795	1366	2934	11431	0	0	0	7269	3082	3644	1415	4385	4370	11782	0	17601	11183	11647	10574	11930	10290	12191	0	7988	8589	0	5461	2662	2233	6531	2660	2941	11412	4162	7200	24990	20852	10317	17928	8760	16944	0	8009	7746	0	2584	1977	9635	7112	10519	0	12495	2301	0	8292	4963	Lipid	0.26086956	1.3913044	0.08695652
10	C23 H32 O6 N2	433.2333	433.23383	-0.23984195	433.23322	11655	12113	14192	11669	3690	5909	8232	13530	2345	11236	7882	5481	4036	2611	7376	15058	12984	3325	6922	22290	19241	14639	8533	16046	14073	7906	7848	7655	14798	11130	12006	19172	20245	9959	20598	16739	17150	7303	9271	18270	6061	5774	0	0	0	8399	8245	0	17951	11847	12266	11390	2574	0	4740	1081	3380	19859	0	1380	11911	5240	1488	3580	1866	4425	5651	13609	0	15761	7900	10012	10741	10789	9437	10857	0	9360	9642	7143	6987	1429	2082	9636	1989	2743	9011	5797	7405	18030	28457	9035	26957	10777	18439	0	12145	8828	3259	1314	1506	17556	6706	13794	0	13294	2624	0	8559	2461	Lipid	0.26086956	1.3913044	0.08695652
8	C22 H32 O5 N4	433.24454	433.24493	-0.38669467	433.2444	1603	0	3259	3269	0	1824	780	877	0	0	1564	0	0	0	0	0	892	0	0	0	0	0	0	0	685	0	597	17411	0	0	1230	0	0	1075	0	0	1289	0	879	0	0	0	0	0	0	0	0	0	2363	916	2217	2988	686	0	0	0	0	1294	0	0	0	0	0	0	0	0	932	0	0	0	0	845	894	0	834	1018	0	0	0	215844	0	0	0	0	0	0	0	0	0	1721	169211	25825	1778	14116	0	0	2312	1989	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22727273	1.4545455	0.18181819
14	C22 H32 O5 N4	433.24454	433.24484	-0.38233227	433.2444	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13293	0	0	0	0	0	0	0	0	1460	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1189	0	0	0	0	0	0	40976	0	0	0	0	0	0	0	0	0	0	120911	6811	0	4371	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22727273	1.4545455	0.18181819
12	C22 H32 O5 N4	433.24454	433.24484	-0.34034368	433.2444	3086	0	0	2371	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34738	0	0	1138	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1244	0	0	0	0	0	0	0	0	0	0	0	0	1662	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	413826	0	0	0	0	0	0	0	0	0	0	267337	42183	0	27427	2224	0	1709	0	0	0	0	0	1434	0	0	1462	0	0	0	0	Peptide	0.22727273	1.4545455	0.18181819
10	C22 H32 O5 N4	433.24454	433.24503	-0.069117025	433.2445	1166	2133	2780	0	0	3285	1004	1979	0	0	3457	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26083	1045	0	0	0	0	0	0	0	1184	0	0	0	0	1081	0	0	0	0	0	0	0	0	2486	3461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	235823	0	0	0	0	0	0	893	0	0	1490	236518	34563	0	15953	1416	0	2064	0	0	0	0	0	0	0	0	0	0	0	785	0	Peptide	0.22727273	1.4545455	0.18181819
6	C22 H32 O5 N4	433.24454	433.245	-0.12278701	433.2445	1239	964	850	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	989	0	900	0	9046	0	0	701	877	0	0	0	827	0	0	0	0	0	0	0	0	0	0	0	0	1247	0	0	1032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	624	0	0	0	0	0	71369	0	0	0	0	0	0	0	0	0	0	49228	12603	1043	4620	996	0	985	0	0	0	0	0	0	0	0	0	0	0	621	0	Peptide	0.22727273	1.4545455	0.18181819
2	C27 H32 O3 N2	433.24857	433.24902	-0.115521185	433.2485	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	78198	0	0	0	0	0	0	0	0	0	0	8463	14656	0	4304	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.11111111	1.1851852	0.074074075
16	C25 H36 O6	433.25845	433.2589	-0.26347107	433.25836	13356	14957	11763	15457	9951	4660	21044	22372	10224	4800	7119	14079	5611	10438	16027	28245	42370	6529	12093	6763	5703	7559	11677	12633	13273	8574	22699	8132	16096	20752	15763	18713	15181	10941	2153	22178	16176	12271	45798	2265	4624	5966	367	0	0	6510	7921	0	21014	17695	20629	14699	10862	0	12141	12926	9228	18520	5640	10659	13571	2837	8862	8090	9736	7706	8147	44063	6838	7435	11066	7754	12339	23507	38487	16653	0	13368	22387	11922	13981	7143	12053	3885	21372	13366	27978	5589	9094	39249	9296	10189	0	7265	3905	0	15787	9657	12214	14985	29444	26706	10728	9388	0	0	14025	0	19422	4881	Lipid	0.24	1.44	0.0
4	C19 H36 O7 N4	433.2657	433.26624	-0.082426295	433.26566	875	771	887	0	0	975	0	0	0	0	0	0	0	0	0	0	0	409	0	0	0	0	0	988	0	0	0	7571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	793	696	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	287	119430	0	0	0	0	0	0	0	0	0	417	78924	27490	510	5012	0	0	595	989	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36842105	1.8947369	0.21052632
6	C19 H36 O7 N4	433.2657	433.2664	-0.11282914	433.26562	4308	4660	3999	2562	0	4983	0	0	0	0	1193	0	0	0	858	0	0	0	0	0	0	3116	0	921	1764	0	0	49774	0	0	0	0	0	0	0	0	0	0	0	0	0	929	0	0	0	0	0	0	0	0	4472	4641	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	398765	0	0	0	0	0	0	0	0	0	0	257723	82837	15739	23545	2798	0	5025	2773	0	0	0	0	772	0	0	3051	0	0	0	0	Peptide	0.36842105	1.8947369	0.21052632
8	C19 H36 O7 N4	433.2657	433.26624	-0.057492957	433.26566	3282	1608	1899	1014	0	1477	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	883	0	865	0	0	19166	0	0	0	0	0	783	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1579	2747	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	180648	0	0	0	0	0	0	0	0	0	0	176234	54384	3561	14365	0	0	2365	1439	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36842105	1.8947369	0.21052632
10	C19 H36 O7 N4	433.2657	433.26572	0.017816097	433.2657	1375	1847	1133	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1167	0	0	0	0	0	0	1538	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47769	0	0	0	0	0	0	0	0	0	0	84864	19311	0	6527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36842105	1.8947369	0.21052632
22	C29 H36 O3	433.2737	433.27408	-0.3378908	433.2736	4447	4298	2229	3863	2407	1454	7170	3818	3332	0	1639	4212	1984	0	4010	11236	27729	0	0	0	0	0	4305	2879	5297	0	7993	0	3658	7594	3344	4960	5216	0	0	4796	0	5238	25201	0	3396	2446	0	0	0	0	1963	0	1865	6006	5057	1870	1305	0	3432	4673	2745	6415	2397	6669	3018	1044	0	2211	2945	2407	1962	25202	1421	2649	0	1792	2035	5200	14440	4112	0	2821	8365	1711	7081	2605	3996	1732	5560	7919	14265	2275	1651	20020	3079	0	4443	0	0	0	4774	4229	5068	13350	11060	6130	5133	3904	0	5476	6944	0	9034	0	Phytochemical	0.10344828	1.2413793	0.0
26	C30 H40 O2	433.31012	433.31024	-0.34779269	433.30997	2233	3185	2984	2507	0	0	4151	0	2870	0	0	3801	0	2477	0	0	13761	0	0	0	0	2554	0	0	5700	0	6612	0	0	11346	4291	0	3529	0	0	6776	2251	3588	16877	0	0	0	0	0	0	0	0	0	2605	8254	3184	3383	0	0	0	5590	0	3702	0	3056	0	0	0	0	2328	0	0	19622	0	0	0	0	0	0	6320	8552	0	2690	13135	6248	5131	0	2916	0	7259	7384	17835	0	0	38023	2594	2948	6613	4910	0	0	2933	0	4764	9665	9144	0	4346	0	0	3759	7503	0	7945	0	Lipid	0.06666667	1.3333334	0.0
28	C27 H44 O4	433.33124	433.33185	0.18737614	433.33133	12943	13352	13723	12950	3969	22741	374372	12052	3071	3604	14179	7060	7702	395631	11516	10252	13156	3184	7503	7205	5095	4817	8182	6553	11677	35240	296510	20083	10553	15413	6253	8354	6139	5904	2489	17133	4563	11590	13496	5928	5873	25366	5025	2170	0	4780	5583	1163	9533	8925	11544	13720	4178	28825	6100	10933	11250	7736	8219	7091	16111	7096	6024	3145	186705	10530	69009	13105	12295	10283	2589	5813	5468	20606	8520	8076	3436	6139	11164	20170	6572	11113	9498	10792	6080	8187	32460	4866	6802	17626	12126	9773	9102	6678	14309	1572	13497	16481	14546	5977	11305	9067	7790	15128	12776	6216	6401	2014	16032	3594	Lipid	0.14814815	1.6296296	0.0
24	C27 H44 O4	433.33124	433.3315	-0.31205308	433.33112	2132	2795	2611	3453	0	1302	32833	7562	0	0	1265	4339	0	4678	4487	9238	18074	0	0	0	0	0	0	1918	3390	1499	32353	0	7418	9519	4731	6217	1542	4769	0	13101	1288	3448	19073	0	1932	0	0	0	0	0	0	0	7757	10235	3803	4291	0	0	0	1035	2092	4624	0	1682	6154	0	0	0	7702	1943	2397	21247	0	0	0	2257	7164	10613	14328	10717	0	1293	6682	2564	825	1756	3963	5893	0	0	17343	0	2819	20935	0	1210	0	0	0	0	2277	2493	1156	2117	2654	5219	2156	2300	1474	3151	1830	0	4251	0	Lipid	0.14814815	1.6296296	0.0
14	C26 H44 O3 N2	433.34247	433.3429	-0.08104366	433.34244	0	0	0	0	0	0	4625	5217	0	0	0	1671	0	0	0	46297	0	0	0	0	0	0	0	0	16056	0	12449	0	4731	2649	99003	0	0	0	0	2151	1917	0	0	0	0	0	0	0	0	0	0	0	4804	2380	1569	0	0	0	0	0	0	1646	0	0	20222	0	0	0	0	0	1420	0	0	0	0	2155	0	0	1847	0	0	1551	0	0	0	0	0	0	0	0	0	0	0	5203	0	0	0	0	0	0	0	0	0	0	0	0	1437	0	0	0	0	0	0	0	Lipid	0.115384616	1.6923077	0.07692308
26	C19 H15 O9 N1 S1	434.05402	434.05438	-0.32335424	434.0539	3076	2819	2611	0	0	0	0	5931	0	2618	0	0	0	0	0	0	0	0	0	0	0	6120	0	0	0	0	0	0	0	10758	3694	0	0	4387	3393	6085	0	0	0	1928	2721	0	0	0	0	0	0	0	0	0	2706	0	0	0	0	0	0	0	0	0	0	0	0	2675	0	1335	0	0	0	0	0	6393	9629	21208	0	8987	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1484	0	10187	10231	0	3158	0	0	1757	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.47368422	0.7894737	0.05263158
18	C19 H15 O11 N1	434.07178	434.07227	-0.08754823	434.07175	10780	8848	16071	14052	20349	10416	2977	2098	22913	16589	10049	5906	49035	8118	4060	5250	3992	26490	26368	9099	21015	50522	10372	3173	1737	0	2630	0	0	0	2725	0	5417	0	19105	0	4365	3742	3491	10440	21314	6769	572	0	0	13029	36972	606	1821	0	12573	8483	11266	0	29928	28306	6967	3799	4538	2595	4112	20653	56458	31264	10055	27957	10746	2731	4605	1467	5713	2471	0	0	1853	0	0	3246	11664	36354	9038	14274	0	4341	23592	12949	8515	10259	11273	8566	3839	6203	9941	48901	36466	0	12390	9020	17922	21271	27944	6123	2518	2159	18157	5783	13962	0	4052	43166	Phytochemical	0.57894737	0.7894737	0.05263158
20	C19 H15 O11 N1	434.07178	434.07233	-0.0672353	434.07175	6000	4015	7364	7355	17295	9601	0	0	18139	8306	2645	2451	38437	6006	4246	3161	1902	21334	9927	4501	17426	30060	6177	4307	2241	0	0	1996	0	1784	1448	0	3501	0	8503	0	2502	2670	2580	12180	16355	5210	931	0	539	10359	18852	1046	1433	0	9192	5603	9285	315	20189	19349	7244	4071	2413	3448	2420	12093	32807	18121	7741	20338	4078	1745	4234	2537	0	0	0	0	1583	0	377	2196	8205	18087	6489	12016	1548	0	21488	7159	7541	7291	6113	5533	3228	4683	4878	40995	32143	0	9119	6917	10320	20780	16447	2559	2133	1944	11511	4316	9416	0	1354	31389	Phytochemical	0.57894737	0.7894737	0.05263158
26	C19 H15 O11 N1	434.07178	434.0722	-0.21370871	434.0717	4545	2842	3631	4080	9994	5392	0	0	8894	8420	0	0	20159	2665	0	0	0	16767	14498	0	5987	12802	0	0	0	0	0	0	0	0	0	0	0	0	7827	0	2485	0	0	4333	4771	0	0	0	0	5031	9400	0	0	0	3747	5730	5990	0	13044	5923	3621	0	0	0	0	3548	23291	11579	3318	12503	0	0	0	0	0	0	0	0	0	0	0	0	6089	5158	4967	0	0	0	7015	0	2141	0	2475	2507	0	0	0	13317	13541	0	5424	5019	3973	8159	8342	0	0	0	0	1533	0	0	0	25371	Phytochemical	0.57894737	0.7894737	0.05263158
14	C19 H15 O11 N1	434.07178	434.07236	-0.14273483	434.07172	9725	8264	8104	14749	21142	6657	0	2634	24067	21225	16731	3988	43290	4778	2011	3738	5442	25663	20733	13585	38610	60903	7515	3571	1268	0	0	0	0	0	2555	0	3971	0	45308	0	4113	3552	1266	10881	23945	9820	0	0	0	11362	25286	0	0	1311	9722	11043	13988	0	27359	22248	7377	0	0	6248	0	18700	51733	34214	7071	30797	7733	3722	0	3100	6856	1801	0	0	1412	1025	0	1543	7318	43041	6257	12849	1294	3020	24721	6623	7587	9022	7932	7224	0	4228	5636	63112	37202	0	10317	11310	18586	26862	20319	3801	2984	0	0	3618	15699	0	2065	36588	Phytochemical	0.57894737	0.7894737	0.05263158
16	C19 H15 O11 N1	434.07178	434.07233	-0.09716513	434.07175	15631	15529	11967	17500	25524	7227	2110	0	26866	18412	15951	3670	51849	7980	3429	2167	4351	34316	24331	14269	36435	49214	7876	5027	1762	0	1791	3066	0	0	1239	0	8596	0	42907	1410	3271	4092	2329	14596	33021	7966	522	0	0	11095	34195	445	2867	1976	13043	14989	15736	0	34628	27862	10508	4695	3161	3289	0	23090	55765	34416	8029	28244	13498	3372	4773	3317	6582	1351	1391	0	1866	0	0	2405	12886	32320	8003	16353	1034	4306	29321	10025	8091	10196	9057	0	0	6411	0	55918	43701	0	16935	15849	17833	33184	30919	5595	1178	5563	20636	0	21106	0	2097	48634	Phytochemical	0.57894737	0.7894737	0.05263158
28	C19 H15 O11 N1	434.07178	434.07224	-0.107494734	434.07175	5366	5007	4334	6684	8721	6373	1674	0	8971	9300	2634	1314	19543	4955	2568	2173	0	17239	14117	4708	6193	10015	3539	2692	0	0	1244	0	0	0	1145	0	2151	0	9246	0	1978	1522	1415	3554	6088	3055	0	0	0	5008	11061	0	1063	0	5320	5133	5554	0	13810	7155	3090	1968	1035	1599	0	5067	19114	13117	3254	10849	4699	1179	0	1676	1915	0	0	0	0	0	0	0	5384	10209	4145	3088	1083	0	10987	5852	4556	3638	4528	1956	1644	1889	3602	14159	15706	0	5610	4668	3805	6417	8474	3002	1459	0	5292	2254	6398	0	1465	20166	Phytochemical	0.57894737	0.7894737	0.05263158
10	C19 H15 O11 N1	434.07178	434.0725	-0.112118445	434.07175	2568	3144	1908	2379	6659	1396	0	0	7879	2790	4537	0	12978	1285	0	0	0	3654	5213	1669	6557	7890	1302	0	0	0	0	0	0	0	0	0	0	0	6955	0	1408	0	0	0	8198	1400	0	0	0	0	8029	0	0	0	3208	2265	2980	0	7675	8872	2613	0	0	0	0	2896	20783	8023	1133	7948	2152	0	0	0	1819	0	0	0	0	0	0	0	0	0	0	2165	0	0	8707	1199	0	2416	1558	0	0	0	1681	11411	8572	0	3152	2036	5447	9798	7384	0	1158	0	0	0	4103	0	0	14104	Phytochemical	0.57894737	0.7894737	0.05263158
12	C19 H15 O11 N1	434.07178	434.07242	-0.06725373	434.07175	4220	5008	6289	6974	13047	3921	2562	0	19180	13804	11438	1884	22357	2203	1233	1562	2900	11745	14269	7318	17703	29019	3920	0	0	0	0	0	0	0	0	0	2300	0	15946	0	0	2180	2482	5444	24902	3854	0	0	0	8246	18246	0	0	0	6127	6418	7410	0	15941	14984	5519	1730	0	0	0	9680	37321	21476	3341	17201	4301	0	0	1575	6534	0	0	0	0	0	0	0	4382	0	2777	8653	0	1110	19372	4027	4074	2528	2859	5765	0	2696	3180	39128	16044	0	6723	5379	14582	17799	16942	0	942	0	0	2577	9919	0	0	30989	Phytochemical	0.57894737	0.7894737	0.05263158
22	C19 H15 O11 N1	434.07178	434.07227	-0.17333621	434.07172	3824	5511	5023	6283	7812	5065	1110	0	12203	4643	2722	1456	21709	5180	4298	2684	0	16723	9089	0	8192	19144	3306	0	0	0	1520	0	0	1144	0	0	1983	1265	4725	0	0	3007	1770	4824	10695	3188	0	0	387	3958	13877	0	0	0	4950	6780	4971	0	11544	14260	5315	1972	0	0	2526	6121	22891	11785	3485	13401	4345	1766	0	0	0	0	0	0	0	0	546	2475	5615	12619	3394	5368	0	2370	15660	4917	3671	4938	5100	2996	0	0	0	21868	25235	0	4683	4913	7313	13478	12197	2229	2273	0	6717	2812	9105	0	2023	24067	Phytochemical	0.57894737	0.7894737	0.05263158
24	C19 H15 O11 N1	434.07178	434.07227	-0.05346088	434.07178	2602	2312	4000	4545	8652	3289	0	0	11114	4633	0	1365	20585	2449	2466	0	1682	17417	12233	1552	4292	12589	2451	2306	0	0	0	986	0	0	1420	0	2250	0	3774	0	2318	2943	1175	2944	4087	2138	0	0	0	3272	11425	0	0	0	6051	4065	5017	0	12875	7525	3284	0	960	0	2739	4853	20556	13487	2625	11567	1780	0	0	0	0	0	0	0	0	0	0	1687	6297	5840	5194	5135	1126	1227	9846	4885	3008	2227	4326	2136	0	0	1704	14937	13486	0	3483	5264	3520	10356	5719	1921	1180	1803	8787	1649	5537	0	1182	27090	Phytochemical	0.57894737	0.7894737	0.05263158
10	C16 H19 O13 N1	434.09293	434.09354	-0.11077921	434.09286	2822	2965	3038	3090	11411	3667	0	0	15392	0	0	971	35372	1694	1714	0	1947	16244	14438	0	3569	0	3877	0	0	0	0	0	1408	0	1220	0	1260	0	1379	0	0	1431	1157	0	0	10369	0	0	0	0	0	0	0	0	2301	3079	6972	0	19675	24451	4661	0	0	0	0	0	24674	21835	6648	15957	4225	1876	0	0	0	0	0	0	1257	0	0	1323	1459	0	1422	1205	0	0	19327	3382	1765	7121	5507	0	0	0	2057	6807	0	0	3220	5799	15165	21880	26572	1917	1827	0	0	1320	13666	0	0	26562	Phytochemical	0.8125	1.1875	0.0625
14	C16 H19 O13 N1	434.09293	434.09354	0.00640647	434.09293	0	4232	3963	4005	16525	7023	0	0	19179	0	0	1530	36625	3878	1955	0	0	19121	14528	0	4130	0	5259	0	0	0	0	0	0	1666	0	0	3430	1614	0	0	0	1445	0	0	0	11874	0	0	0	0	0	0	0	0	0	5551	7441	0	25586	29666	7169	0	0	0	0	0	38298	33793	8062	17296	6993	1874	0	0	0	0	0	0	2118	0	0	1998	3112	0	2465	1021	0	0	23631	5362	0	7807	7404	0	0	0	1910	0	0	0	0	4992	15905	20485	26780	4301	3038	0	0	4333	18618	0	1128	40231	Phytochemical	0.8125	1.1875	0.0625
16	C20 H19 O10 N1	434.1082	434.1087	-0.12472185	434.10812	77928	80768	76527	74691	84470	49754	20041	35059	95350	255348	132541	22043	151912	32415	36017	40653	25470	139982	119451	168596	194843	193927	49464	44577	25634	65838	20341	58345	22357	20569	25173	26595	46374	18190	331689	20391	46848	22297	24422	160770	154704	38764	2737	0	424	135117	183018	651	29487	22882	82761	80713	56716	407	109043	69491	36913	33420	34391	31697	43145	122352	153458	78459	35227	98424	51121	27564	98241	108709	121741	27658	21079	14289	18500	18280	0	25436	49712	142800	34192	118343	27352	86550	83370	42448	43475	36546	43126	48196	49006	70322	61603	182816	228575	453	82381	76912	62847	71937	83192	40180	17025	44117	109004	44253	64647	481	29309	137440	Phytochemical	0.5	0.95	0.05
20	C20 H19 O10 N1	434.1082	434.10864	-0.1671084	434.1081	32069	28683	38765	29185	34024	23752	8535	10493	47857	95984	34685	10428	75449	23366	19426	17188	8529	57446	54336	65562	82127	89970	17903	15073	12274	22939	8256	19532	8811	7644	7386	7434	14277	8885	103871	5198	18670	14382	9022	53669	47834	14069	1367	0	515	59944	97228	1552	9953	7916	29095	34679	27383	967	56559	41813	15842	16752	16941	9146	12681	46632	63722	46449	15733	44602	17749	8479	36998	43620	41412	5259	7891	4324	4707	6770	611	9747	24889	63858	16701	53421	7510	38066	44466	24593	27463	18824	19667	11787	20310	26007	30020	81404	109395	581	33771	39675	32588	40268	42675	13515	7794	13823	60973	20108	32466	0	11100	85913	Phytochemical	0.5	0.95	0.05
26	C20 H19 O10 N1	434.1082	434.1086	-0.2183456	434.10806	5304	3462	7396	5244	7536	5472	1788	0	7963	20163	4208	0	11468	0	0	0	0	14280	9265	7165	15606	18453	0	0	0	0	0	0	0	0	0	0	1871	0	23620	0	1979	0	0	6967	9229	0	0	0	0	10035	16825	0	0	0	5452	5485	6392	0	12673	0	3129	1621	2675	0	4124	6176	11711	8850	0	8196	3143	0	0	8449	6404	0	0	0	0	0	0	0	2505	10675	4503	6970	2833	2133	9497	0	3081	0	3092	0	2546	4099	5322	11043	24495	0	6612	7625	2665	4645	0	0	0	0	8291	2671	4268	0	2579	14140	Phytochemical	0.5	0.95	0.05
10	C20 H19 O10 N1	434.1082	434.10876	-0.1085271	434.10812	36981	33825	32688	27755	31224	19576	10787	15534	42912	104334	70324	13860	68429	15908	14545	20104	11321	39595	48887	65137	99329	83837	20354	19763	4497	24199	9962	23840	9914	12516	9373	14999	20641	10668	135688	9082	23552	13059	22426	71283	97732	14888	659	0	0	47826	101466	0	16274	11914	34273	36527	24702	0	55920	37708	14524	21185	17852	20875	24276	53453	80755	50110	15365	41737	20656	23098	61251	47072	79719	12992	12024	10241	9972	11104	0	9804	22928	42463	19548	43986	14211	21413	43370	16665	22898	17637	16617	27417	12868	22248	27551	79545	76423	0	35154	38360	32461	39146	37797	21904	11588	21481	70707	19084	32557	0	10562	65747	Phytochemical	0.5	0.95	0.05
22	C20 H19 O10 N1	434.1082	434.1086	-0.18913661	434.1081	16108	14493	11154	11749	24780	14647	3121	5378	24782	39722	15535	3001	30209	11228	7393	4084	4863	27844	14436	22354	35862	49436	11549	6030	6708	13064	4702	10472	3449	3042	2288	0	4286	3524	49213	2701	5314	4489	2869	25295	26108	7440	0	0	629	31806	46214	0	5394	2941	12170	13820	15191	458	31040	21034	9249	5120	4490	4380	6672	20795	39020	27346	5843	21536	10011	4166	16433	14426	18154	4308	1976	1057	0	2189	660	2687	15203	26993	10393	23681	3591	11833	28133	19103	13280	7537	9010	5419	8606	10998	9527	45437	63936	0	15585	15876	14031	18620	16030	6601	3255	3839	29189	5537	16249	0	5725	39595	Phytochemical	0.5	0.95	0.05
24	C20 H19 O10 N1	434.1082	434.10858	-0.1696105	434.1081	6762	8466	8957	7176	10269	6776	0	0	12859	23257	5662	2794	23179	15329	2862	2158	0	14021	12035	10350	20348	25228	6800	4021	1764	2681	1420	3304	0	0	1824	1529	1934	1606	27930	2225	3601	2912	0	11694	10728	2537	0	0	0	15612	21910	0	1724	1623	6286	4531	7411	0	14702	9847	4642	3267	1874	1652	2667	11887	21276	13538	53125	12686	5096	2382	8726	6564	9779	1862	2103	0	1277	2085	0	2816	6196	13494	5251	12283	2186	6269	15409	4921	4787	3189	3016	3217	2883	4198	5273	24815	29162	0	7594	8984	6267	8779	6245	3248	2205	4937	11922	2508	5812	0	2019	23089	Phytochemical	0.5	0.95	0.05
6	C20 H19 O10 N1	434.1082	434.1089	-0.1513432	434.1081	5730	7723	5471	4907	7153	3297	2175	1683	9910	16127	11640	2736	16455	1863	1336	2944	1882	6909	6403	6170	17962	12360	2463	3150	856	2553	854	2309	2317	1803	1432	1394	2707	1303	23480	2519	971	1210	3562	6749	17720	2840	0	0	0	7301	17111	0	4942	2396	6342	6749	4860	0	10060	9264	3074	2549	1983	4004	3211	7607	18363	11533	3788	8784	3577	3247	7921	6041	15510	1888	1547	1230	0	1321	0	1592	2890	2977	2580	4920	1578	1870	8805	3870	3094	3191	3079	5510	0	0	5155	12508	9538	0	5263	4645	7000	11540	12161	3187	1869	2140	7190	2013	5949	0	0	15793	Phytochemical	0.5	0.95	0.05
12	C20 H19 O10 N1	434.1082	434.10876	-0.12358231	434.10812	63566	52097	69745	54439	49372	31126	16112	26185	75634	179555	119504	23699	91621	24200	21127	24641	24855	71487	82215	128841	169269	174033	30881	39035	14799	43982	17967	60325	17895	15303	26583	16372	31946	18328	259677	17626	29063	31841	29780	121017	176416	23927	1156	0	0	104156	178062	0	30998	24018	57561	61451	39939	283	81568	59798	29184	38181	34821	26386	28972	97626	132529	72986	21876	72229	35349	28250	96761	82622	128229	20334	20270	12864	21961	17037	0	23828	38919	67987	31748	79415	23119	50548	66652	26215	42415	24106	30068	42690	23623	45720	51891	155481	124600	0	60159	66810	57830	66503	56180	28378	19812	40097	119912	36629	55554	0	15166	119669	Phytochemical	0.5	0.95	0.05
8	C20 H19 O10 N1	434.1082	434.10883	-0.11854914	434.10812	17116	21456	15394	17131	18755	10915	4697	6739	25499	53283	37829	8350	37589	7689	5775	10581	7093	17211	23623	29258	58023	44956	10171	9898	1649	9588	5594	9122	4418	6079	6018	5055	8037	5595	66891	3206	6977	6254	12317	30717	55466	6706	0	0	0	22397	51722	0	6182	5077	17167	18642	12067	0	25351	23069	8757	6331	6377	11958	5056	25317	43661	25900	8909	22750	9838	13176	24933	19537	47022	6325	5144	3997	5859	6813	0	5311	14365	18814	9409	16735	4398	9253	25468	7879	9211	8182	9788	16426	0	9119	13355	35177	38022	0	18716	17636	20925	26791	18575	7934	7500	10841	16446	6201	18090	0	5419	38060	Phytochemical	0.5	0.95	0.05
6	C19 H19 O9 N3	434.11942	434.1201	-0.13132034	434.11935	11931	11067	9189	9618	8089	4024	3706	7484	12270	12594	9749	6844	0	3062	5538	9226	9032	10004	14467	8024	0	23066	8240	10051	1663	1084	3416	3894	5617	4766	5612	5616	9523	5419	21046	5797	9197	4999	9339	10988	24779	6286	0	0	0	13213	28030	0	5338	5657	9481	10159	6684	0	12625	11691	5874	8150	7290	9121	6925	8746	22878	14933	5500	12674	7244	12112	6110	4994	8464	6130	5280	4000	4554	4606	0	4097	6491	3567	6258	7185	3471	3735	13595	8879	8193	9713	8042	15655	0	7702	14266	15914	9896	0	8766	8835	6902	11753	11881	9537	5953	7464	18667	7998	0	0	6749	18839	Peptide	0.47368422	1.0	0.15789473
10	C19 H19 O9 N3	434.11942	434.11996	-0.07838478	434.1194	0	18614	0	23647	15679	10504	8657	13233	40290	0	15836	15575	31365	5693	12317	16963	15977	22728	25611	25298	32766	46295	0	20540	8808	2825	10724	7617	12954	12073	11860	15340	18864	10553	34676	10524	20952	14723	21279	33034	38840	12840	0	0	0	32501	45591	0	18396	8764	25151	19461	15421	0	29394	14731	10267	19674	12812	16203	13521	28571	32950	21462	12598	25783	0	24179	17014	10263	22643	17700	11963	8708	14345	10106	0	10928	19335	21836	0	20841	9187	8357	17460	11519	0	12632	17110	33289	15688	14600	40378	30663	29708	0	21487	18087	11985	16185	15892	18586	10751	18548	22258	0	15101	0	10313	35833	Peptide	0.47368422	1.0	0.15789473
8	C19 H19 O9 N3	434.11942	434.12003	-0.12514104	434.11935	19014	21872	14719	16361	13878	7764	7753	13761	22159	23987	19474	12482	24173	5488	11765	14670	13038	19558	0	25530	0	36469	15454	19833	5059	3700	6760	3925	8519	8988	11393	10691	14776	9349	31032	8552	16511	11418	20432	26675	41138	10870	0	0	0	29320	48353	0	12558	12595	21494	19356	11429	0	22685	13524	9456	14954	15594	18116	13287	25153	34748	21625	9932	20525	0	19439	11893	9302	17615	13516	8377	7625	11444	7378	0	9996	16469	10751	13118	18685	5953	9323	19863	8397	16173	14341	12135	35134	0	18385	29549	25269	21071	0	18683	18439	16849	0	15048	15655	10330	17503	22217	15269	15027	0	8812	33388	Peptide	0.47368422	1.0	0.15789473
12	C19 H19 O9 N3	434.11942	434.11993	-0.15286969	434.11935	19017	19113	19339	0	17280	0	9139	13343	16266	18658	15631	10748	26894	6561	0	12121	22480	24015	22295	0	29099	44942	19608	19227	7284	5489	6728	0	10065	9215	12728	10772	18327	10413	0	0	17557	14900	0	26627	41084	11202	533	0	0	26604	44748	0	13477	10561	14802	15271	14087	0	25492	14222	11994	15005	12241	16356	17609	31231	37955	23150	9023	25156	11371	18412	0	11616	22906	8372	10830	8336	10586	8516	0	14346	18326	19891	15018	21047	7545	11172	18609	10526	19558	13248	12677	41206	11763	19847	30006	30849	15756	0	19819	13428	11455	14753	15728	14362	0	16990	24028	22270	12135	0	13417	32999	Peptide	0.47368422	1.0	0.15789473
20	C24 H19 O7 N1	434.12344	434.12393	-0.17998087	434.12335	0	3277	2336	0	1481	0	0	0	1671	5236	9644	0	0	0	0	0	0	1863	0	6449	5974	2764	0	0	0	17265	0	10726	0	0	0	0	0	0	6510	1294	0	0	0	4767	11661	1596	0	0	0	5473	10309	0	0	0	2377	1836	1327	0	0	0	1992	0	1584	1116	0	2613	2035	0	0	1608	1590	0	25164	17970	32692	0	0	0	0	0	0	0	1777	8853	0	3654	0	0	1482	0	2498	1778	0	1711	0	0	0	6677	2291	0	2640	2380	2049	2469	0	1486	0	0	3174	0	0	0	0	0	Phytochemical	0.29166666	0.7916667	0.041666668
10	C17 H23 O12 N1	434.1293	434.12988	-0.1729394	434.1292	33655	49748	30362	32799	61047	35459	12501	34008	92006	70837	61485	30926	164319	22933	33702	32288	40640	117645	105651	59549	75586	56506	50526	31243	8283	12168	11923	15855	20918	27969	21501	20667	32466	22924	73714	24014	29895	27311	26674	33683	74302	56163	1392	0	0	21593	66077	0	18113	27986	40968	32016	50246	0	143715	101286	40134	19975	24047	29525	43274	25550	130958	103403	35172	81884	41821	27190	24937	49853	40862	18947	21109	16522	30769	19055	0	23448	33516	31365	24504	27041	8199	9830	103269	39931	21676	33860	40817	23963	8456	16887	40291	90827	75131	0	40577	56783	63437	71614	92860	50715	22608	25148	36638	27286	84455	0	9579	128102	Unclassified	0.7058824	1.3529412	0.05882353
14	C17 H23 O12 N1	434.1293	434.12985	-0.1693113	434.12924	56474	57627	61778	48424	79956	72624	13810	46905	155788	49136	81130	36457	245396	40349	55948	38669	46100	175390	158895	115645	134410	95648	71767	37644	19688	14173	12629	12137	35262	31416	24762	25314	50788	23529	113880	42140	40021	41899	31553	68822	76583	82712	2730	0	280	86709	119832	0	24497	41938	48770	42601	81842	277	267458	125622	52782	29814	50999	34665	47818	70475	208966	189247	51449	108938	64577	40802	46046	63309	75533	25307	24285	34938	36381	22375	235	40648	41165	53383	39076	60127	11979	31394	130712	55715	28902	55167	55784	21564	16714	30432	62354	99032	93795	588	60744	79915	92602	75419	99384	69060	36627	43208	87615	33953	92044	374	17293	194137	Unclassified	0.7058824	1.3529412	0.05882353
26	C21 H23 O9 N1	434.14456	434.14493	-0.22717118	434.14447	8055	5587	9129	5465	10059	5020	0	0	8412	25034	6619	0	11789	3200	0	0	0	11667	8729	15194	14597	16207	0	5221	0	11204	0	4463	0	0	3152	0	1960	2918	19914	0	4639	2700	2645	13066	9240	0	0	0	0	11694	15675	0	2837	0	6864	8075	5427	0	8986	9651	0	2417	0	0	4804	7997	15254	7777	0	10124	5372	2335	15483	23449	21688	2829	0	0	0	0	0	0	4714	7092	4690	6327	2749	7256	9048	0	3726	4654	3212	3088	3404	4424	8493	10329	18225	0	6713	8838	3371	5073	0	0	3196	0	6175	2964	4388	0	4654	18547	Phytochemical	0.42857143	1.0952381	0.04761905
10	C21 H23 O9 N1	434.14456	434.14514	-0.14750107	434.1445	89519	80491	78337	73631	52935	39457	34211	68874	65572	250041	122055	38743	97785	35646	44445	70254	49054	75939	86240	192075	224718	157279	55290	82820	31520	109013	41619	83581	52527	47588	55568	58150	72064	48418	293200	51805	73437	44671	54275	175223	162956	37897	749	0	0	131415	144579	0	67721	50643	93524	91103	42063	0	84092	47231	29543	69630	65500	68689	68841	106786	89788	63134	29108	66775	42218	63461	148468	172175	188143	56966	47347	43169	42712	55772	0	41768	60326	69836	45107	84355	43571	82704	61138	33339	52728	37832	42575	74322	55012	78288	91976	110224	141851	0	87099	82087	53483	51097	48625	66483	38089	80701	110139	58483	44307	0	40413	84050	Phytochemical	0.42857143	1.0952381	0.04761905
12	C21 H23 O9 N1	434.14456	434.14514	-0.15275306	434.1445	123659	130393	125029	120054	73194	59836	82848	118751	92221	337213	198214	58690	110272	43079	66540	87877	78200	122153	134949	295813	330448	244097	84065	109644	60000	177108	57375	149382	84826	71716	85630	79688	112108	81962	483864	88064	91740	66318	92548	270428	297565	56461	1653	0	0	200410	239004	0	92219	82727	127368	122875	70122	309	122740	71017	44965	106522	94189	93527	96902	192466	143547	97119	38544	112411	65647	96172	234946	285668	293397	86458	81452	79388	63783	74354	0	65056	85503	110807	74428	130633	77706	142095	83362	49579	89353	53249	62133	142502	90853	148800	131319	170549	183451	538	137725	140585	91177	66995	65262	87601	56808	111559	167441	84829	67449	0	64938	135024	Phytochemical	0.42857143	1.0952381	0.04761905
16	C21 H23 O9 N1	434.14456	434.14508	-0.10225018	434.1445	191730	195198	171636	183833	148276	108781	72808	121392	145320	561258	270604	76058	209640	76798	104909	138201	79262	220236	210835	440064	444514	329030	114871	147543	100629	280045	70475	199948	98195	95065	114894	115243	140561	98289	697785	96013	158349	89572	84741	398649	277813	82084	4623	648	488	272273	266511	644	132258	110787	192245	180589	107096	703	173686	107309	78266	130928	135016	86823	133836	250644	216157	144789	59619	156242	102192	81689	288731	439113	345949	110319	97622	97833	70524	100996	295	77126	104028	210794	91298	189706	98091	227594	138575	87162	104862	94588	93059	122342	152912	203593	229585	224240	359672	1029	175626	193610	104079	97764	110222	138148	67674	150398	185183	153766	111312	968	82231	217160	Phytochemical	0.42857143	1.0952381	0.04761905
14	C21 H23 O9 N1	434.14456	434.1451	-0.13042222	434.1445	186776	173107	164579	179826	103616	100368	92944	136648	123397	517932	249000	81467	171854	74660	96568	121310	82423	172096	167937	412319	443691	337806	104857	145895	102567	268758	77942	217152	102159	106658	95769	119258	137659	101048	654914	107457	123577	81363	103847	361464	311078	84101	0	497	387	271131	278407	435	120073	117787	163286	164204	89065	576	168313	93939	60311	138475	176439	115677	163117	257197	182207	140071	59793	138512	95555	97854	298529	418300	361620	116647	106470	96487	84859	103447	277	88860	106258	197915	91755	168540	97773	201556	118857	75843	107429	87205	89950	151620	144587	171630	184096	210613	287241	1146	166393	177867	101223	93150	98184	136879	80255	164242	194845	116853	86122	353	84037	168783	Phytochemical	0.42857143	1.0952381	0.04761905
18	C21 H23 O9 N1	434.14456	434.14505	-0.13801844	434.1445	158442	143312	147076	132163	113803	103359	54617	95827	116472	479248	220956	52770	187398	80309	84499	93735	55882	176352	180481	356718	355331	267545	96439	114669	74119	231604	47886	169361	89174	73565	78973	75127	109762	91270	532144	76259	118499	58562	63612	296805	211901	70605	4771	677	604	230040	201963	822	81144	83564	144053	135876	93283	1024	169812	107004	67433	97367	92993	57307	103889	206308	185905	128546	57882	157265	91277	67524	226657	328826	282717	80130	67452	64194	59216	80453	491	58804	90914	166163	70782	166193	75205	174171	125359	81272	89057	76119	77660	80124	139490	175283	159318	184296	315003	933	141304	162338	100876	91527	91322	103007	48304	97080	148350	86344	93533	811	66751	176459	Phytochemical	0.42857143	1.0952381	0.04761905
22	C21 H23 O9 N1	434.14456	434.14502	-0.1991125	434.14447	36267	30206	25701	28381	34521	24921	10176	19471	35126	99549	44775	10204	45095	13732	19014	22288	13229	52189	35753	68617	92397	57815	23428	23753	12312	58455	8732	32289	15755	11657	11380	12284	17874	13563	97393	14711	23387	12856	11861	63859	52289	16193	0	0	424	56806	80013	0	18916	15716	32550	26758	24564	763	42243	33024	16580	22015	15431	11337	17872	48737	51936	36792	16195	30020	25153	15317	60099	79476	74788	15340	11694	9421	11485	10581	674	13073	20709	37718	17505	41577	11749	39439	46602	22936	17936	17204	18509	14380	27184	28888	28418	53135	77221	0	24885	34754	28948	30706	26892	18644	10424	21147	47329	19297	27614	0	14556	63463	Phytochemical	0.42857143	1.0952381	0.04761905
24	C21 H23 O9 N1	434.14456	434.14496	-0.24423528	434.14444	9634	10534	13977	10803	11319	10990	1753	6120	16848	45728	17661	5983	28934	5121	6247	7390	4643	19858	13508	20783	32495	21465	7246	9952	4580	27266	2390	8192	3553	2516	5926	4955	6983	6227	36590	3852	6180	5494	4033	25250	21877	5570	0	0	0	24054	32328	0	7803	5207	16602	9268	11241	0	19725	11926	5289	9526	5900	4165	9349	20058	21501	13397	4583	19556	8869	3359	26981	34087	35144	5893	3987	4305	4058	1916	0	7316	10388	15626	7765	16876	4427	12209	20939	9401	9302	6487	6354	5444	5645	9824	10985	20921	34105	0	12236	15669	11087	11480	12036	7557	3067	6067	20647	7494	11135	0	4598	23034	Phytochemical	0.42857143	1.0952381	0.04761905
8	C21 H23 O9 N1	434.14456	434.14517	-0.16637313	434.1445	49518	56830	43342	56413	35332	24060	20207	35025	43777	156813	81321	23656	64682	19389	22966	40170	25225	38456	47585	113545	136448	92896	32651	40216	16271	43382	19315	48185	24301	23026	24194	31317	33641	24546	181210	26369	38614	21895	34951	94600	110598	22290	0	0	0	79188	101847	0	32566	29375	53260	56745	25526	0	55191	32385	22315	33638	30186	36888	35339	67413	66224	46784	20096	44721	24428	38055	75382	85647	127477	30981	26502	20771	17202	29545	0	19723	33263	43439	25404	48543	23309	49948	36803	18158	31640	19189	24663	44477	31482	43225	50361	75960	101386	0	48445	45559	37592	38705	29028	34701	22015	46005	44890	29609	29946	0	22084	58150	Phytochemical	0.42857143	1.0952381	0.04761905
22	C19 H23 O5 N5 S1	434.14926	434.14987	0.40112332	434.14944	3745	0	0	2887	0	3844	20468	4615	0	0	0	3584	0	0	25307	27716	52162	4662	2199	2516	0	0	3357	3690	34293	3745	21353	0	6223	5698	2681	9704	2061	3941	2806	7600	3097	29332	41922	2717	3834	3482	0	0	0	2268	2105	0	8010	3867	2631	6798	2479	0	0	1455	3035	4508	3696	1629	4615	3819	0	0	0	0	2539	45456	1514	3197	0	3372	3804	6664	110396	3014	0	2545	4356	1795	4700	0	1680	3159	0	4091	45841	3609	4212	3397	4013	0	4076	1989	2570	0	4172	4356	2192	0	1963	1840	3623	4069	2396	3150	2040	0	61123	2351	Peptide	0.2631579	1.2105263	0.2631579
4	C20 H23 O8 N3	434.1558	434.15652	-0.18050252	434.1557	12530	13539	11297	13108	6985	6272	5954	14935	8939	11006	9588	8824	12312	3425	10616	13499	19984	10159	12197	9602	15809	21677	12568	16015	6043	3056	10231	4930	8933	9395	10471	10834	13509	7270	18554	9768	14516	8939	22117	13597	22365	6834	0	0	0	13177	21706	0	11607	12644	13538	11400	5697	0	11743	8218	5651	14339	9364	12383	13137	10211	11511	8049	5322	10876	5080	18934	8014	6352	9137	9934	8286	9586	6112	9881	0	6714	12482	8043	9903	9739	8424	6571	7824	7639	10703	8210	9115	23213	9136	14777	23144	11711	14294	0	11192	13517	7321	9005	9645	14311	8461	17532	9524	14133	6738	0	7889	12234	Peptide	0.4	1.15	0.15
14	C20 H23 O8 N3	434.1558	434.1563	-0.17547941	434.1557	0	46697	41298	45240	22707	0	41412	107102	30815	41642	21546	32866	32446	17411	46953	57048	53045	32361	44933	31316	38285	64846	38863	64115	55268	9223	33483	23266	0	34789	37914	52438	63023	33244	42684	35479	57922	36868	50366	44455	45312	28518	0	0	0	48527	103854	0	56353	40831	41273	37173	29394	0	35989	16041	21054	68147	66840	40255	77051	38627	22204	28490	20025	33733	29329	57581	0	50750	24067	72910	35579	40864	35843	29599	0	36760	50679	30933	89542	35390	0	25090	19598	24898	56013	38104	36209	97791	0	58354	101632	33610	46233	0	43220	0	20230	18599	21708	48270	27569	50793	33625	50740	24212	0	0	32528	Peptide	0.4	1.15	0.15
16	C20 H23 O8 N3	434.1558	434.15646	-0.070835575	434.15576	23884	19031	20174	25255	19160	13240	22059	22561	16145	17101	9021	18135	16099	11223	17776	35089	28911	26284	24476	17065	20002	34335	24941	38242	30317	5683	22009	10163	21358	17644	23552	26356	31097	18727	21879	18541	33018	19099	33092	24669	21585	15075	0	0	0	22710	21290	0	28439	21248	24882	21502	16291	0	23743	12483	12739	33969	27796	17346	0	16608	16668	12673	21580	16438	16555	35144	8544	9983	10961	23012	19196	15175	25836	15069	0	16873	27542	16906	23493	13298	23693	15888	10013	11207	31054	21883	17837	55582	35578	40370	63610	20275	23454	0	24631	20703	11084	11089	10690	29985	19121	20416	17848	39921	13815	0	27146	22548	Peptide	0.4	1.15	0.15
8	C20 H23 O8 N3	434.1558	434.15643	-0.14538239	434.15573	79778	0	0	81750	0	28515	44348	0	0	80282	52609	52449	0	16021	0	0	76058	40692	0	0	86586	118457	63529	0	37905	14006	0	34736	0	59657	0	0	77568	61060	98608	0	80622	0	88105	94915	97081	38645	0	0	0	0	0	0	0	0	0	80268	0	0	53071	29283	0	75525	65429	69647	75966	74409	0	40130	24936	47069	43684	97221	24818	44594	56077	73170	0	61106	45282	0	0	47147	0	52277	0	48123	51843	52374	0	26840	62301	42247	0	112584	68560	101601	127729	64017	81855	0	0	71728	27996	0	29399	75169	50392	0	47534	76885	26012	0	50512	49221	Peptide	0.4	1.15	0.15
12	C20 H23 O8 N3	434.1558	434.1562	-0.19347383	434.1557	59941	0	74951	62936	29398	27507	0	0	36388	54618	28745	47947	39826	17451	55694	66010	68396	45827	59183	0	64010	111135	71145	97148	62677	16516	0	24587	70371	0	65878	0	89103	56231	85061	0	0	61029	0	0	84655	0	1013	0	0	0	77713	0	69092	64092	0	61614	28168	0	51333	22999	27102	82285	0	73052	71326	55645	46937	37823	25087	0	41075	97104	21834	39768	35221	58603	58929	0	36229	109296	0	53184	0	44616	0	0	0	0	29864	0	0	37615	39294	141760	72447	0	0	53852	49337	0	60691	71210	28217	23278	19076	72379	49837	74914	45021	0	23807	0	66157	44670	Peptide	0.4	1.15	0.15
14	C22 H27 O6 N1 S1	434.16318	434.16385	0.47898358	434.1634	130378	126503	121090	115751	118946	137961	84419	175024	254907	178704	132044	76616	341821	77741	185187	135024	95848	306736	289788	273250	295050	193548	188110	170725	101323	77832	56158	90853	167472	151957	99941	109823	164820	93700	290667	156848	142629	125270	71068	143242	110642	151336	4200	500	369	155422	142036	458	98781	150307	121450	116880	128217	876	505869	171798	83813	122875	227466	64055	168274	146580	257515	257986	85133	165052	137637	59545	111727	116347	97736	105170	110644	163694	95477	100881	390	129452	122677	103456	107296	95663	65043	75945	179670	135549	106698	81296	111687	50417	63122	116168	187894	126308	157273	1306	128177	182038	145475	116750	145814	203236	90878	166495	115885	98163	153252	580	72791	277575	Organosulfur	0.27272728	1.2272727	0.045454547
8	C18 H27 O11 N1	434.16568	434.1663	-0.23164572	434.1656	27418	18384	15767	20348	18246	14142	15389	25245	25716	42729	27486	24419	40177	6970	28058	28795	26283	31672	38312	52054	28153	30604	25462	33366	16595	21068	11644	10076	26398	31049	26795	18887	23296	28279	42545	25905	31112	20496	18683	35525	41824	22998	0	0	0	41879	43955	0	27246	26329	26333	28845	17914	0	45692	32223	13430	23087	28966	18473	35300	24783	31505	31098	14133	21935	18184	27917	16993	23697	31258	21321	23966	27537	15753	21855	0	20545	29172	6860	19944	19160	13377	20898	33118	19430	18208	18514	19348	29752	0	16954	43993	24210	35540	0	31346	29345	22735	27724	29383	30103	18857	37834	15728	16076	29444	0	12839	41369	Unclassified	0.6111111	1.5	0.055555556
12	C17 H27 O10 N3	434.1769	434.1775	0.29792044	434.17706	0	2455	2817	2122	0	0	0	1822	936	8281	13206	2229	0	757	3322	1937	0	0	0	3033	0	0	2243	0	2027	0	0	64688	2923	4534	3291	2594	2757	1232	6693	0	2922	3106	3248	0	0	1231	0	0	0	0	0	0	2433	2699	0	0	1489	0	1631	0	1188	4835	0	0	0	0	1091	1681	763	0	1689	0	0	1399	0	0	1631	3478	1479	918	0	1049	0	0	2336	2008	1262	1602	0	833	0	0	0	0	4530	2022	3020	0	3141	0	2978	0	0	0	0	3730	1696	0	0	0	0	0	0	1617	Peptide	0.5882353	1.5882353	0.1764706
14	C17 H27 O10 N3	434.1769	434.17734	-0.13465236	434.17685	0	0	0	0	0	0	0	1756	1162	6295	13245	1739	0	0	1983	4059	3128	0	0	1687	2302	0	0	0	0	0	0	84450	2116	2307	1225	0	5555	1870	7773	4471	2740	0	0	0	0	0	0	0	0	0	0	0	1650	0	0	0	0	0	1903	870	665	0	0	0	0	1677	0	3200	908	0	0	4485	0	0	0	1672	2510	1852	1821	4716	0	898	0	0	2628	2751	1402	0	0	0	2823	1342	0	0	9553	0	1954	0	1428	0	0	0	0	0	1566	0	1273	0	0	0	0	0	0	0	Peptide	0.5882353	1.5882353	0.1764706
2	C21 H27 O7 N3	434.19217	434.19296	-0.15381943	434.1921	6723	7240	6545	7348	2619	0	9212	9547	3309	4492	5164	8083	4033	2078	8685	3177	10491	4194	5132	5607	9890	10136	7649	8741	4525	2063	0	3123	8068	5022	7231	6942	10879	7018	9230	7230	7772	6863	13283	7574	10667	0	0	0	0	4433	8375	0	7578	6554	7200	7040	4646	0	5704	2593	2759	8731	5271	6871	4713	4636	3070	4239	0	5344	5145	15878	2896	4095	5268	8148	7527	6153	1825	6930	0	5774	9327	5584	8543	4864	5982	4410	2625	3750	9597	7090	5437	20210	8086	7544	17488	6908	2017	0	6332	5888	2216	2847	2054	6762	7630	7287	5404	7143	2750	0	9373	4300	Peptide	0.33333334	1.2857143	0.14285715
8	C18 H31 O9 N3	434.21332	434.21396	0.23579694	434.2134	0	2815	0	0	880	1440	1068	1343	958	0	1205	0	1295	0	1147	2171	0	0	947	0	0	0	1345	1105	1090	0	929	5758	0	0	1440	2699	1923	1916	0	912	1720	1669	1110	0	0	0	0	0	0	0	0	0	0	0	0	1323	0	0	1425	0	708	1815	0	0	0	0	0	967	0	0	0	0	0	0	0	1408	1716	0	0	888	0	0	0	0	0	0	0	0	802	0	1102	0	691	1218	21957	0	3594	0	0	0	1212	0	0	0	0	2258	0	0	0	1262	0	0	0	1817	Peptide	0.5	1.7222222	0.16666667
2	C18 H31 O9 N3	434.21332	434.21408	-0.052005872	434.2133	21386	20602	28605	24108	10827	0	24700	36898	18102	4968	0	25514	26154	7538	24820	14046	33348	17004	22239	4347	14051	20481	23250	34410	11296	1597	1783	59012	39104	23411	32855	31490	52540	33592	16351	35742	41386	21320	32290	7997	3398	0	0	0	0	12082	5778	0	28663	26099	26826	25338	15739	0	21352	10800	9123	38824	11342	9229	14282	1799	13460	13098	0	24495	24512	36659	1254	3921	5679	41662	32281	32207	4655	26485	0	22619	22628	167256	24376	0	10878	5432	14140	11302	27113	23085	16636	53724	69876	53493	60447	17790	1579	0	27144	27135	8919	12697	16095	24438	17285	15776	2071	24362	10022	0	16989	30315	Peptide	0.5	1.7222222	0.16666667
2	C17 H31 O8 N5	434.22455	434.22525	-0.06496822	434.22452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10291	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	622	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	245	0	0	0	0	81389	0	0	0	0	0	0	0	0	0	0	8651	4122	0	3641	0	0	0	0	0	0	0	0	0	0	0	602	0	0	0	0	Peptide	0.47058824	1.8235294	0.29411766
12	C22 H31 O6 N3	434.22858	434.22906	-0.15273812	434.2285	6354	5654	2914	7346	2605	2302	5136	8384	1327	2288	0	3975	0	2775	5181	5200	4902	2502	3268	6633	3475	7076	4382	8589	8174	0	0	0	7119	4780	9144	6271	12321	5414	7226	6314	7191	4411	4298	7063	0	3593	0	0	0	4651	5684	0	3756	4187	3936	3769	3387	0	1888	0	1734	6461	0	0	0	3818	1278	1880	1831	3681	4238	0	0	5519	2771	7494	5129	5902	2893	4994	0	4256	4934	0	4166	1194	2518	3824	0	887	4564	3036	3491	11841	24796	15336	17401	2563	2661	0	4948	8387	1584	1361	1275	5453	3726	4929	0	8224	2144	0	8153	1950	Peptide	0.27272728	1.4090909	0.13636364
10	C22 H31 O6 N3	434.22858	434.22913	-0.17797594	434.2285	6332	7743	10447	10336	2806	3273	6710	9652	1776	6920	4772	5603	1569	0	7051	9189	6192	2670	3622	10404	9524	11343	7968	14669	10734	3278	4084	4410	8651	6005	7459	8323	14685	10208	5916	9097	10960	7140	7825	7998	6948	4732	0	0	0	9484	5634	0	8893	5576	8963	8244	2718	0	3210	2169	1477	15042	2500	2973	0	4970	0	2429	2021	1202	4040	9047	0	5547	3561	8741	7865	6719	3928	7630	0	5501	8323	5668	4630	2047	2790	4836	877	2891	8127	3203	2346	11028	34779	14153	30609	7001	10763	0	8442	7734	2497	830	1519	7760	4831	12198	0	11019	1810	0	7432	1238	Peptide	0.27272728	1.4090909	0.13636364
14	C24 H35 O6 N1	434.25372	434.25418	-0.25594956	434.2536	11454	11374	13809	9583	5058	6639	15495	15322	2992	12658	5998	9442	2294	3909	12408	19300	16424	2855	7969	25159	18119	8412	9336	17716	14944	21210	11993	11517	22687	21030	19092	19412	27144	16663	25366	17339	21917	12781	14838	19390	8716	6929	0	0	0	9017	11096	0	23102	22181	12124	10498	5142	0	4630	1982	2721	23474	0	0	27497	4864	0	3147	4013	4259	6583	18110	0	22522	13451	33857	23105	22918	18688	15544	0	13713	9498	0	10071	3863	3493	10377	2568	0	10937	4997	8286	42523	71575	6347	27698	4475	14255	0	13915	13046	2730	2404	2333	21237	10913	19008	0	20565	1421	0	9056	2495	Lipid	0.25	1.4583334	0.041666668
16	C24 H35 O6 N1	434.25372	434.2542	-0.22373676	434.25363	20863	21161	17765	15055	9381	6168	19008	23150	5656	13371	17160	14232	4037	8606	13487	31567	28614	4280	12081	23466	27891	19928	13305	25623	18609	23640	22209	18513	21074	25169	21195	26824	22809	15825	18118	23370	22218	12401	32432	13676	16119	9902	386	0	0	10612	8494	0	24859	18455	15547	16324	6713	0	3341	5551	6544	29827	3761	11294	42152	9256	5869	3950	42624	6593	10346	25826	33906	29763	24567	18838	14875	19596	20979	20044	0	13433	14841	10407	12146	3324	7231	13071	7652	5607	16368	10730	11369	59380	23101	14171	61674	9389	16530	0	16788	24222	6917	5189	7016	25868	13831	13388	5739	25258	6928	0	15853	4089	Lipid	0.25	1.4583334	0.041666668
8	C24 H35 O6 N1	434.25372	434.2543	-0.19891872	434.25363	15834	16212	10655	15279	1697	3237	10404	31973	2312	13178	7427	12744	1716	0	13785	29624	11375	2883	5316	19088	17105	14017	12859	21181	18054	7238	10525	10070	23873	20243	21479	24486	24290	18409	17596	23481	31465	13270	17720	16850	5380	5319	0	0	0	11042	9761	0	26485	21862	12023	14652	3345	0	2041	533	1853	28673	0	0	23967	3308	0	2863	1861	3002	5445	20083	4729	9654	8752	20687	19522	24150	15259	18884	0	14992	10701	6375	8164	876	1577	8817	0	0	13187	5633	7454	34372	18749	0	40453	8772	19176	0	17990	14409	0	1067	0	28705	10129	22633	0	28700	0	0	13669	1118	Lipid	0.25	1.4583334	0.041666668
12	C24 H35 O6 N1	434.25372	434.25424	-0.26312333	434.2536	18118	18926	19230	13666	4840	8843	12207	34135	3554	21919	12269	13188	1378	3664	19609	26719	18857	4642	10042	41915	23113	14025	12935	25200	20916	15456	11538	17594	30652	25589	24515	23487	36652	22037	25845	23175	32651	13958	18611	18855	5352	8935	0	0	0	13825	12466	0	30443	20654	13392	16545	5049	0	3161	2184	3358	24394	0	0	0	5405	2345	2629	4434	8981	7654	23812	0	20183	18587	23077	20857	32604	15483	25639	0	17116	11173	0	11394	2261	806	13071	2203	2590	16406	5978	10766	41758	28702	7164	38189	13819	14066	0	18582	17546	0	2576	2642	26373	13769	28114	0	25697	1932	0	13621	2554	Lipid	0.25	1.4583334	0.041666668
22	C21 H39 O8 N1	434.27484	434.27518	-0.22771934	434.27475	0	0	0	0	0	0	21917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5968	2233	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	361	0	0	0	1229	0	0	0	0	615	0	0	0	0	0	0	1405	0	0	0	2641	0	1243	0	0	0	0	0	0	0	0	0	508	0	0	1946	0	0	11857	2589	0	0	0	0	0	0	3455	0	0	0	0	0	0	0	0	0	0	0	0	0	3119	0	2006	0	0	0	Lipid	0.3809524	1.8571428	0.04761905
12	C21 H39 O8 N1	434.27484	434.27515	-0.34368438	434.2747	0	0	0	2090	0	0	0	1193	0	0	0	0	0	0	4370	10445	0	0	0	0	0	0	11536	8295	1850	0	0	0	0	0	0	0	0	0	0	0	0	3977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3119	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38117	0	1297	0	0	0	0	0	40015	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	934	0	0	0	0	0	6215	0	Lipid	0.3809524	1.8571428	0.04761905
22	C25 H39 O5 N1	434.2901	434.2905	-0.2877847	434.28998	10523	8020	11043	6885	8476	6673	10874	10761	9793	7117	8564	6284	2931	9942	5748	19962	22642	6130	7470	5925	8100	5041	6142	9412	8254	23597	8443	5825	8758	14883	5031	17287	13989	10172	6044	15595	11710	4875	15345	4551	9262	8967	0	0	0	2090	6530	0	11748	10517	7707	8870	6815	0	3987	5522	4902	13433	4469	8520	8994	1460	1808	3725	4364	5337	4561	23148	14874	20338	23087	8193	11168	10870	14555	10890	0	5938	7684	7190	7463	4093	6020	4176	8698	7743	13652	5611	9345	26421	12643	10478	16579	0	7595	0	6749	10806	6178	8410	4988	15319	8488	9676	3066	11021	10737	0	11208	1808	Lipid	0.2	1.56	0.04
28	C22 H43 O5 N1 S1	434.29346	434.29388	-0.1814125	434.2934	7091	6944	6573	6587	0	2336	1829	11154	0	0	2408	6848	0	0	105649	16546	4713	0	7591	0	0	0	3947	4562	25492	0	17902	30410	4871	2641	10084	3836	6367	7349	0	2749	10546	156975	12155	0	0	13785	0	0	0	0	0	0	6336	2694	5243	5336	4873	0	0	0	3379	15476	0	0	5914	0	0	2604	8731	0	8295	7635	3272	0	0	4112	2823	3127	2441	2524	0	16757	2025	15872	1359	0	0	0	0	3534	40785	13211	17895	16764	44723	11824	3950	1156	0	0	7960	6752	0	0	0	14812	5159	0	0	4483	0	0	8954	0	Organosulfur	0.22727273	1.9545455	0.045454547
6	C22 H43 O7 N1	434.31122	434.31195	0.06339772	434.31125	682	846	709	0	23556	4735	0	0	939	0	0	0	0	13574	0	0	0	1442	1720	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10747	0	0	0	0	0	0	1351	0	1312	693	20619	0	0	451	1194	0	0	0	0	0	0	0	1176	3588	14141	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1266	1299	0	0	0	0	0	0	0	1515	769	627	0	0	0	0	0	0	0	5079	0	0	0	Lipid	0.3181818	1.9545455	0.045454547
8	C22 H43 O7 N1	434.31122	434.3119	-0.11957876	434.3112	1931	2409	3867	3542	57261	11722	0	0	6478	0	0	0	11210	63424	0	0	0	3786	7363	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9302	0	0	0	0	0	0	0	0	2323	1381	19881	0	1995	11531	17640	0	0	0	0	0	0	2841	12060	8802	15589	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3396	6013	0	1665	1573	0	0	0	0	0	0	0	3300	3424	9354	3386	2919	0	0	0	0	0	41721	0	0	3442	Lipid	0.3181818	1.9545455	0.045454547
16	C26 H43 O4 N1	434.32648	434.32675	-0.102453895	434.32645	2521	1481	0	2212	0	0	60813	0	0	0	0	34172	0	0	0	0	0	0	0	0	0	0	0	0	0	0	509954	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1232	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2200	0	0	0	25510	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29727	0	0	0	0	0	1472	0	Lipid	0.15384616	1.6538461	0.038461536
28	C19 H14 O12	435.05582	435.0563	-0.022868995	435.0558	7005	5408	5521	6987	16363	9476	1393	0	17209	3107	1408	1427	39994	8793	3394	0	0	29702	20900	2912	2657	6087	5763	0	2804	0	1534	0	0	0	1344	0	2143	1040	2910	0	3095	3449	0	1462	3162	0	0	0	0	2707	4363	1143	0	0	7395	5649	10907	0	26009	16049	5543	1138	1391	0	0	2556	34838	14286	3545	19759	3537	0	0	0	1673	0	0	0	0	0	0	2152	10177	2442	7845	1367	0	0	24962	8816	5405	3407	5807	1493	0	1460	2428	5944	7719	0	7988	6311	7877	16103	19152	1842	942	0	2628	2074	15923	0	2300	33071	Phytochemical	0.6315789	0.7368421	0.0
20	C19 H14 O12	435.05582	435.0564	-0.008260742	435.0558	8987	8921	8738	8212	33741	14395	0	0	36617	4217	4544	1869	62312	13758	3997	0	1650	23167	28311	0	3590	16197	10235	0	1776	0	1191	2043	0	0	0	0	3031	0	7094	0	3380	4326	0	1277	4864	4774	1246	0	324	3353	13250	2271	1950	0	7820	8700	17234	289	36629	39290	11879	0	3379	1852	1506	1655	56872	36582	9355	37575	6246	2351	2802	0	4495	1293	0	0	0	0	572	0	15235	14101	11931	5224	0	0	51701	15564	7515	6118	8065	3351	0	0	5001	22412	9368	0	10977	4909	21830	47291	47888	1467	1510	0	4555	0	26629	0	2444	56629	Phytochemical	0.6315789	0.7368421	0.0
14	C19 H14 O12	435.05582	435.05643	-0.10425952	435.05576	27124	24898	16570	34790	78600	28334	0	0	102748	14028	27214	7376	125144	26202	4442	5370	6954	68080	51252	19114	14172	62532	16998	0	0	0	3156	0	0	0	0	0	3268	0	45362	0	6598	11842	5834	14378	20084	12186	0	0	0	8756	43044	0	0	2138	30144	24460	39530	0	56868	76095	29740	8570	0	0	0	10490	150584	95260	26256	86040	25522	6180	0	4376	2890	0	0	0	4236	0	0	8166	24658	0	20450	16732	0	0	99976	25112	21054	24546	14614	9842	0	7056	4662	93296	34182	0	35318	26734	75620	115846	104040	5326	4306	0	0	7086	57424	0	3366	130882	Phytochemical	0.6315789	0.7368421	0.0
24	C19 H14 O12	435.05582	435.05634	0.030302487	435.05582	4603	6284	4147	6659	17788	10894	0	0	18570	3054	0	1652	36958	6410	0	1470	1716	22942	18160	0	2430	8834	4998	1354	2097	0	2546	0	0	1381	0	0	1981	0	4767	0	2083	2652	1268	1233	1852	2537	0	0	0	3058	5183	0	0	0	4181	5878	11560	0	20119	21842	4787	0	0	1159	1058	1689	30385	18975	4884	28926	4008	0	1512	1670	0	0	0	0	0	0	0	1407	5666	3741	7111	2618	0	1133	27068	8474	5673	2204	2936	0	0	1444	2013	7616	5021	0	3764	5528	11847	22656	18417	0	0	0	3103	1696	17129	0	1988	37798	Phytochemical	0.6315789	0.7368421	0.0
18	C19 H14 O12	435.05582	435.0564	-0.05010124	435.0558	13675	16507	13416	11658	50320	14076	1171	0	44674	8622	6469	3022	87442	15393	5605	2011	2100	34934	35958	2874	10387	23398	9942	1518	0	1429	1410	0	0	0	0	0	4250	0	9300	0	2676	4325	0	5571	6195	7767	1108	0	321	3406	15525	1188	0	0	11505	14484	25515	0	44428	46708	17446	0	2220	4885	0	5220	80086	42809	14133	49715	11905	2921	1608	0	3907	1420	0	0	1316	0	337	3782	18395	14069	14366	8178	0	0	61610	17015	9608	9958	8199	4065	2812	3424	5483	27785	14958	0	10285	11230	33161	52127	50549	2715	3499	2874	13231	2024	31714	0	1711	67789	Phytochemical	0.6315789	0.7368421	0.0
12	C19 H14 O12	435.05582	435.05646	-0.08844813	435.05576	5866	8949	6678	6563	18434	6270	0	0	25978	0	5494	1945	28772	3138	0	0	2177	11611	16530	1410	4545	14974	5982	0	0	0	0	0	0	0	0	0	0	0	10178	0	1719	1543	1455	1594	6259	3649	0	0	0	4132	9332	0	0	0	4956	6965	8505	0	20083	21455	9316	0	0	0	0	2459	50175	24257	6928	25405	5292	0	0	0	0	0	0	0	0	0	0	1762	5593	0	5337	4726	0	0	28842	7298	2977	5191	4398	0	0	0	0	21484	7091	0	6228	7057	26244	33180	25090	0	1948	0	0	1944	16607	0	0	46450	Phytochemical	0.6315789	0.7368421	0.0
22	C19 H14 O12	435.05582	435.05637	0.017929679	435.05582	4689	5260	7991	3809	25818	10733	0	1265	24573	3694	1850	1298	44550	11833	3139	0	0	21794	18700	1845	4211	9153	7102	1790	1973	0	0	0	0	0	0	0	1272	1216	3513	0	0	5438	1448	1538	4190	3043	0	0	543	2913	4911	0	1371	0	7541	5523	11061	330	24517	20589	7924	1944	0	0	0	1987	47045	21594	8304	25941	5111	0	2161	0	0	0	0	0	0	0	1041	2834	11363	7220	9367	6564	0	1488	31596	11596	6365	4033	3912	0	0	0	0	15090	7477	0	7677	7499	11988	33860	29301	0	1880	0	5301	1783	19764	0	0	47956	Phytochemical	0.6315789	0.7368421	0.0
16	C19 H14 O12	435.05582	435.05643	-0.027176443	435.0558	13648	13771	8351	10566	48163	17839	0	0	56154	9046	10599	4488	78975	17451	4378	5472	4668	43077	42765	4814	9292	30013	11842	3274	0	0	1462	2329	0	1347	0	0	3876	0	12253	0	3344	5078	3491	3195	12749	8298	681	0	0	6156	19544	1113	0	1387	16153	13093	27696	0	35368	51911	17314	0	3155	4411	0	10734	97399	44553	16276	54288	19462	4870	0	0	2636	1610	0	0	0	0	420	2145	15277	20908	14527	12337	0	0	63264	15744	14567	12595	12692	0	0	5395	0	44470	20052	0	17735	9542	37916	66759	55251	3931	5765	0	12049	0	40935	377	2420	78890	Phytochemical	0.6315789	0.7368421	0.0
10	C19 H14 O12	435.05582	435.0565	0.008383247	435.05582	2952	1914	1261	1824	10979	1876	0	0	12693	0	3408	0	14852	1746	0	0	0	4740	5721	0	2393	3813	1265	0	0	0	0	0	0	0	0	0	0	0	1365	0	0	1066	0	0	1827	1239	0	0	0	0	3067	0	0	0	2247	2520	4693	0	6291	9534	4121	0	0	0	0	1516	23306	6938	2302	12745	1652	0	0	0	0	0	0	0	1172	0	0	0	2383	0	1843	803	0	0	11792	2424	1824	2488	2295	1796	0	0	0	7062	1592	0	0	2085	9124	17597	11956	0	0	0	0	0	7361	0	0	14734	Phytochemical	0.6315789	0.7368421	0.0
26	C19 H14 O12	435.05582	435.05615	-0.17744993	435.05573	6036	4644	5568	4841	19624	7419	1527	0	15690	3238	0	0	40490	9695	0	0	0	34084	20082	0	0	8276	0	0	0	0	0	0	0	0	0	0	0	0	2152	0	2157	0	0	0	0	0	0	0	0	0	0	0	0	0	5493	5450	10906	0	21511	15331	4877	0	0	0	0	0	45261	19713	3595	22451	2160	0	0	0	0	0	0	0	0	0	0	0	8095	0	7437	0	0	0	24710	0	7435	3167	2603	1489	0	0	0	4303	5455	0	7106	7340	7601	14811	20076	0	0	0	0	0	11363	0	0	34947	Phytochemical	0.6315789	0.7368421	0.0
4	C14 H18 O10 N4 S1	435.08163	435.08246	0.008517046	435.08163	5389	5006	5204	4770	1327	5681	6175	7480	972	0	0	12914	1000	0	8346	14252	23075	2311	8162	0	0	1370	12063	10627	7446	0	6631	0	10194	6616	5903	8980	10980	5907	1389	9184	9556	5610	26103	0	0	10507	0	0	0	2105	0	0	14851	5531	4346	4898	2782	0	711	344	3326	11222	0	0	9319	0	536	2382	4598	2047	6475	25280	964	0	0	3428	5621	2610	11553	5991	0	8251	16947	0	11034	0	0	0	0	2165	19227	9635	11193	5644	0	0	3148	0	978	0	5364	5265	815	741	1669	9956	6121	2165	0	5758	661	0	7029	1787	Peptide	0.71428573	1.2857143	0.2857143
10	C24 H18 O6 S1	435.0897	435.09027	-0.34696263	435.08954	1931	0	0	1546	2260	1835	1842	0	1825	0	3696	0	2101	0	0	0	0	1956	1098	0	1752	0	0	0	0	0	0	0	0	0	0	0	0	0	2487	0	1431	1408	0	0	2669	1175	0	0	0	0	0	0	0	0	0	0	1727	0	0	1889	1573	0	0	0	0	3645	0	1981	1121	2726	0	0	0	0	3231	0	0	0	21389	0	0	0	0	0	0	1246	0	0	1952	1161	0	0	0	0	0	0	0	0	2417	0	0	0	3061	2465	2135	0	0	0	0	0	1744	0	0	1891	Organosulfur	0.25	0.75	0.0
22	C20 H18 O11	435.0922	435.0927	-0.056092706	435.09216	24046	25591	21724	25966	42410	28677	3790	4551	54696	46857	10751	4536	81095	20259	10706	4345	2428	58820	44392	24932	32074	56463	15082	7659	7822	6136	3082	5667	2242	1640	5069	0	8331	3524	46931	2760	12096	10378	3221	19634	16200	8177	2488	0	953	32933	48274	0	2714	4510	18217	25408	25480	619	65050	47038	17257	6389	5118	4603	6875	18233	92104	46350	11699	50659	17675	3268	14192	16792	17746	3563	1623	1446	3240	2440	1151	4480	20552	29300	17250	39183	3275	13568	55938	26389	15463	10119	16545	5631	11463	9918	7287	43116	60101	0	20864	23258	37024	49752	45928	8557	7081	5508	37272	5445	40909	0	7757	97902	Phytochemical	0.55	0.9	0.0
26	C20 H18 O11	435.0922	435.09262	-0.07383092	435.09216	8094	7823	7968	7082	14799	11386	0	0	20408	12785	3001	0	35992	6631	0	0	0	27080	18759	10519	10351	17876	8164	0	0	0	0	2295	0	0	0	0	2503	0	19009	0	3361	2628	0	6607	5753	0	0	0	0	7995	15454	0	0	0	9613	7713	8824	0	25560	17095	4927	2200	0	0	0	4673	33496	16199	3496	21793	4615	0	0	7936	6825	0	0	0	0	0	0	2677	9281	7439	8832	8880	0	3788	16537	8131	6250	4688	2509	2417	2365	2830	0	10770	23484	0	8080	9638	9074	13518	19967	0	0	0	10495	1397	11865	0	3030	36834	Phytochemical	0.55	0.9	0.0
14	C20 H18 O11	435.0922	435.09274	-0.11476906	435.09213	122398	134645	127395	129336	156194	105857	40253	45056	190621	265755	163396	49812	267843	81183	69329	55008	40135	190353	197494	183731	227645	291509	83845	60539	28565	39692	33301	90910	37834	29584	39650	48349	58104	35108	353543	31753	53226	62253	45750	117933	163791	66436	3567	0	0	152925	289868	565	42431	40328	109557	122646	109873	381	186157	144649	76077	62328	68440	64728	68992	128000	308073	189320	69346	200051	79175	51125	131112	92480	136080	41652	31867	27023	33003	37450	0	46779	103991	185596	80306	157962	29061	51606	181536	95892	91390	66219	85309	73310	49242	70835	77550	281229	220001	990	127087	121366	164897	185552	170254	55749	47299	52334	223652	59650	129909	388	38855	270940	Phytochemical	0.55	0.9	0.0
20	C20 H18 O11	435.0922	435.09265	-0.14350602	435.09213	45564	53345	46659	39342	86174	61299	10983	15573	108157	88520	36194	15731	179076	47010	26323	14049	10301	111449	91565	58242	72671	103162	34207	14465	15221	15802	8471	19519	9408	5609	10398	11990	22105	10073	104587	5793	25686	20919	6095	40058	37125	23508	2533	0	869	63524	99100	1851	10266	9432	55390	57839	54610	458	102051	81125	36269	17294	19887	11842	17875	43675	170757	94181	33287	104788	36407	10894	33166	38230	29679	8968	6707	6355	10019	8794	1169	17947	52821	55236	38258	77620	14274	25548	98414	53735	35134	23213	31142	12555	16685	38678	29112	75076	78756	1330	50827	48720	73843	78182	80286	13978	13094	17694	65235	21532	74073	1023	12074	179181	Phytochemical	0.55	0.9	0.0
10	C20 H18 O11	435.0922	435.09277	-0.12391553	435.09213	48632	48417	39661	47896	59463	29293	13140	18916	73343	103882	83192	24418	95456	27597	17883	28833	19176	59724	71192	59227	88163	77568	30004	19376	4973	18642	16648	33263	12158	12352	11113	16877	24507	13438	119929	12418	19423	22395	26303	37056	74370	22902	1587	0	0	48575	103621	0	19156	15166	43856	50770	35880	0	69669	58774	28969	24410	14938	27214	27327	33069	108563	67343	33661	70840	29506	29645	49554	31527	63795	16148	12566	13048	17112	15991	0	16540	40498	45754	35353	44638	12988	15277	82693	28249	34824	28911	28722	33113	15031	20160	25822	95419	86459	0	46491	45068	76209	82705	72713	19195	20614	18437	63360	17790	62815	0	12218	92970	Phytochemical	0.55	0.9	0.0
28	C20 H18 O11	435.0922	435.09262	-0.09840892	435.09213	5871	6619	8332	6413	11368	7808	1711	0	13130	14104	3421	2363	27744	6951	4549	2516	0	22540	15453	10735	9903	11067	5146	2602	3084	4149	1264	1512	0	0	1707	1003	3786	0	15888	0	3233	2652	0	5180	6449	0	0	0	0	7190	12298	2103	2068	0	6389	6030	9081	0	17603	11229	5127	3394	2891	2147	2103	4568	22096	12169	2968	14103	5032	2082	6414	9356	7026	1258	0	0	0	1412	0	1770	8086	6662	7610	6758	1627	2902	12682	7188	5238	3361	5861	0	2061	2534	2826	8837	12192	0	6778	7499	10669	12446	9956	3281	1956	0	11241	3973	9677	0	1822	21421	Phytochemical	0.55	0.9	0.0
8	C20 H18 O11	435.0922	435.09286	-0.08153024	435.09216	19374	16485	13380	15762	25303	10555	4714	5604	32393	38551	32828	11194	34500	9774	7009	8056	8927	22847	29400	17308	33572	26678	11356	7989	2763	5762	4419	7503	4809	5838	5564	4723	8448	5708	49911	3903	7671	7875	11366	10764	28446	9944	0	0	0	13713	41517	0	6808	4246	20816	18854	14607	0	25170	27252	14051	6698	5877	10882	7193	16022	53268	28561	13134	26472	11951	12366	20367	12139	31383	6065	4121	2867	5647	3791	0	6523	16545	15186	12739	14721	3175	5466	36880	10610	12845	11559	12829	16006	0	0	8771	37100	26555	0	14976	18447	38398	40671	35182	6402	8033	7952	13569	9911	30537	0	5016	43098	Phytochemical	0.55	0.9	0.0
18	C20 H18 O11	435.0922	435.09268	-0.12096359	435.09213	92947	105211	77561	88664	145128	88146	25994	35275	155256	185719	84261	28227	292195	73415	52181	34553	16360	205229	175719	133922	134699	171355	66153	37295	26209	29996	24856	41581	27529	17309	29995	28931	41850	22522	203509	18068	58617	49202	21862	85504	69901	45161	3481	667	841	125298	154097	1256	23863	24271	87947	98808	89099	726	196188	133597	65535	36397	43619	27497	33097	88298	286252	154781	51389	182187	68732	23592	54531	56583	74658	30109	20491	14968	17651	17598	708	34942	79459	105144	61844	145659	23068	42569	164060	85751	57438	47175	63402	20842	41888	68057	52616	137660	175511	698	86261	84242	122462	133206	128822	39681	32512	36860	109719	35547	113211	563	29397	253943	Phytochemical	0.55	0.9	0.0
12	C20 H18 O11	435.0922	435.0928	-0.12398617	435.09213	92683	103575	90052	89996	100841	60856	38332	31408	127239	180237	165674	35160	157995	43136	40570	47787	39452	129844	129822	132001	166141	205773	58770	38768	16698	29569	30218	61713	20641	23400	30625	32456	51091	25911	262846	26994	42830	49655	36385	84369	172909	46055	1539	0	252	110552	246790	376	33198	34049	93311	94721	68128	0	131510	107132	52881	50874	44375	56549	45411	100950	223855	113133	49830	149671	53868	43260	86098	64565	123558	27614	27054	20458	24513	28625	242	32699	72874	131075	61258	110654	20486	31558	128485	54922	66391	43389	47799	54081	28398	57506	52243	205268	145728	0	103879	87277	139588	130122	114054	50395	39344	45725	156441	41682	101016	0	24555	194462	Phytochemical	0.55	0.9	0.0
24	C20 H18 O11	435.0922	435.09265	-0.041792396	435.09216	12107	12582	11830	15226	21260	11847	1658	1871	31337	24141	8224	3298	56657	13621	5998	1814	1920	36494	26412	10892	14553	24427	7861	4739	2654	9213	3061	5318	1950	1270	1548	1046	2888	1540	26008	1720	4748	3907	1247	7697	11283	2460	0	0	0	14986	25579	0	1675	1186	8376	9494	12948	0	40764	24342	8498	4787	3723	0	2359	9692	47130	27544	5959	36031	6616	0	13228	10254	13936	1779	0	0	0	0	0	4219	15474	11190	12028	15749	1975	7744	36392	17208	7268	4515	5073	2185	4894	6067	2548	20576	34502	0	12482	11329	17822	29399	25887	2604	2678	2871	18430	1190	20316	0	4523	51892	Phytochemical	0.55	0.9	0.0
10	C19 H18 O10 N2	435.10342	435.10403	-0.11215829	435.10336	30430	32875	31877	28207	29762	16276	8312	11827	38146	52292	44270	15301	60213	8744	12242	14880	22012	33995	37066	37829	67031	75217	16517	13425	4702	4741	9980	12727	8836	10680	10737	9203	18748	11157	78397	8416	19020	10470	19513	45956	85573	17579	0	0	0	52868	113988	0	11119	8836	29680	32344	20114	0	45965	31321	11775	15875	9767	19776	13802	45476	67626	41306	16978	42503	16728	21346	34649	13518	34200	15786	8111	6262	19464	10615	0	12955	23195	40087	12640	48878	9498	11788	47711	17093	20176	17688	16234	30814	7098	18937	32646	72929	48146	0	30579	31692	26830	48101	35920	18106	12573	14936	79103	21523	26819	0	9560	79634	Phytochemical	0.5263158	0.94736844	0.10526316
18	C19 H18 O10 N2	435.10342	435.10397	-0.039440505	435.1034	13844	11214	11520	15388	17471	12422	5545	6410	17432	21422	11408	6688	29507	9346	8189	5456	7135	24419	20981	15123	27644	38632	12537	8954	4915	1819	6224	3622	7633	4597	3909	3385	7478	0	26930	5792	10907	4913	6977	29640	27473	8119	482	0	0	21636	46325	0	5569	4039	17191	15373	13972	0	22158	15878	9676	7909	4615	5787	9529	18759	34201	27028	10294	22741	11491	8713	9014	7048	8719	2637	3683	2521	3712	4570	0	6333	14199	25299	8627	25603	4957	7683	17566	10856	16238	8920	9501	12162	7059	14991	23370	32716	35163	0	18208	9443	14554	20074	15644	10944	5345	8102	25153	9964	13943	0	7831	28562	Phytochemical	0.5263158	0.94736844	0.10526316
14	C19 H18 O10 N2	435.10342	435.10397	-0.12092828	435.10336	40539	40590	29872	32311	34339	21156	10718	14716	44315	70913	44715	16121	65908	14830	15142	14254	21016	55701	38264	51059	78519	97221	21299	16770	13269	7562	11895	13044	9900	11163	12552	13800	24661	9240	98935	8761	23808	14338	19839	57458	93684	18170	0	0	0	75144	148708	0	13347	11249	38647	41379	24474	0	64968	32775	17675	17508	22134	21347	0	65844	85773	50923	18651	44465	18171	23431	27533	23261	36422	12971	7967	10283	13490	10051	0	13623	22048	64841	17269	62719	10998	23046	44614	23600	22554	22120	20803	39122	16989	24193	41788	85531	66478	0	34627	34258	23885	40799	36065	21794	14787	12459	87574	24792	30912	0	13561	72029	Phytochemical	0.5263158	0.94736844	0.10526316
12	C19 H18 O10 N2	435.10342	435.104	-0.12532958	435.10336	32914	35272	31828	39017	40049	22775	14969	16582	47997	69795	50205	14117	64747	12655	10279	21854	24549	50514	45010	46816	90276	103511	23841	17898	8188	8578	8243	18717	10814	10236	12761	12305	27848	12747	118106	9358	19284	15897	30988	68346	122121	17042	0	0	0	74012	167084	0	13827	13912	33475	32827	24641	0	52480	33111	20105	17921	15430	21629	0	65007	92207	50509	13859	50451	20669	23780	36212	22916	49577	13787	10956	10600	14524	12211	0	15225	20656	65159	15667	72792	7817	17467	47558	21590	25445	19782	19671	37104	12245	26169	35944	90450	63608	0	38341	36485	35037	42545	35109	19957	14861	18504	126421	24124	29056	0	11431	79911	Phytochemical	0.5263158	0.94736844	0.10526316
16	C19 H18 O10 N2	435.10342	435.10397	-0.09364587	435.1034	23015	25224	24145	28343	29935	18618	6898	8759	31690	56281	33199	8859	54383	9620	13299	15967	11579	44553	40881	26634	60698	64742	15500	11691	10243	5781	9824	6889	7672	5113	9308	8241	13560	8862	70395	6004	15628	12183	12200	41692	59242	13683	545	0	0	47816	85940	0	9867	8276	30144	21953	22597	0	40301	28000	13669	13125	14278	12286	12635	41226	61847	33823	9780	39647	15970	11488	16970	11740	21184	6855	5819	4841	11136	5515	0	11652	17560	50221	16434	45671	8647	14563	32478	17194	20892	18043	13883	31923	11668	20404	0	63784	60219	0	23684	27476	23243	31983	25308	11387	6898	9432	45329	20109	24621	0	9448	59512	Phytochemical	0.5263158	0.94736844	0.10526316
18	C24 H18 O8	435.10745	435.1079	-0.16037966	435.10736	7734	11585	5893	7500	10841	5904	2768	1865	6876	45020	35993	2551	7078	4719	4773	3432	2427	7282	11278	19565	23444	16451	2614	3361	3051	46109	2117	21430	0	2289	1973	0	3105	0	38273	0	2195	3632	4084	12120	16612	2937	355	0	0	9073	13373	0	2758	2947	8309	8335	4996	0	6937	8386	2828	1772	1766	2601	0	7698	13084	5560	4595	7996	5593	2038	44381	52509	56897	2112	0	0	1819	0	0	1935	8894	15827	4105	10554	3074	12801	8638	6695	6853	2647	4492	5002	4593	2183	2535	21467	25821	0	12038	6520	8791	6599	8084	0	2347	3784	10156	2890	7693	0	3511	11008	Phytochemical	0.33333334	0.75	0.0
24	C24 H18 O8	435.10745	435.10785	-0.19755676	435.10736	6490	4914	5727	5175	6606	3001	0	1583	12813	22998	15209	1322	6668	5088	0	2090	1759	7365	10855	6567	14883	10784	3725	2929	0	43284	0	12664	0	1386	1825	0	1884	0	31968	1700	1317	1944	2849	9480	18076	2684	0	0	0	9337	17526	0	1691	0	6801	6436	6911	0	5470	8986	4940	1936	1522	2740	1764	6294	8755	5097	3692	9112	4490	2572	35739	33723	54017	0	0	0	0	1415	0	927	6414	11751	7319	12052	2668	7579	7366	6667	4407	4417	3534	2487	2579	4343	1560	20450	14188	0	4873	6780	9223	11635	11035	1921	1544	1414	7474	1796	8512	0	2242	5334	Phytochemical	0.33333334	0.75	0.0
20	C24 H18 O8	435.10745	435.1079	-0.08053986	435.10742	57594	47852	38334	35308	48796	20774	9148	7020	49258	128686	90518	10588	61330	31492	18016	16264	14510	43956	64698	70568	108768	92860	19538	24978	11496	145834	12404	52930	6278	4510	7532	3220	26554	10716	162954	0	16436	16414	16250	59576	71760	21566	1324	0	0	73612	98564	0	6626	5944	42682	41382	36936	846	54238	37840	28484	13372	14162	20686	12978	46802	65076	40330	27944	49538	22038	10016	138340	129070	178764	7328	7804	0	3692	6812	786	13690	36494	81500	31020	61516	10365	49242	57282	27374	38626	18108	32316	24170	25066	33596	27726	109156	101578	0	42120	41370	39162	42072	42926	12316	8882	15428	61160	22516	33996	0	16610	62228	Phytochemical	0.33333334	0.75	0.0
26	C24 H18 O8	435.10745	435.10788	-0.14599746	435.1074	2416	2657	3904	0	2555	0	0	0	6657	9278	7653	0	3987	0	0	0	0	0	4515	5790	7379	6455	0	0	0	14735	0	2423	0	0	0	0	0	0	13122	0	0	0	0	3713	6165	0	0	0	0	0	7511	0	0	0	2526	2919	2732	0	0	0	0	0	0	0	0	0	4422	2784	0	3679	2774	0	21792	13936	24007	0	0	0	0	0	0	0	3113	10595	3622	5136	0	5041	5202	0	4240	0	0	2242	0	0	0	12614	12161	0	0	0	4342	4731	4969	0	0	0	0	0	0	0	0	2630	Phytochemical	0.33333334	0.75	0.0
22	C24 H18 O8	435.10745	435.10788	-0.12988609	435.1074	13503	10508	10948	10819	11681	5375	2315	1970	16995	44817	38620	2505	13159	6836	2805	4086	3356	14687	11747	23109	32228	26001	7504	4089	2774	70345	3777	27677	1569	1580	2115	0	3338	2229	56864	1213	3349	3366	4640	17649	23188	3639	0	0	0	19270	26827	0	2468	1391	11007	14572	9124	0	12051	9711	6246	5072	3786	4423	3074	13886	19576	11120	7758	10732	10566	2125	63585	54618	80392	0	0	0	0	1222	0	1548	10174	19526	8756	17712	3523	19842	14374	6822	10539	4584	7000	7665	7858	11195	5264	35166	32413	0	14445	12370	13546	11693	11226	2872	2033	5196	17023	4328	13750	0	4842	10799	Phytochemical	0.33333334	0.75	0.0
16	C24 H18 O8	435.10745	435.10797	-0.23561658	435.10733	5420	5011	3725	2568	4023	3935	1021	0	5264	17255	10721	1548	2915	4023	1531	3317	0	5276	4894	9991	13594	6897	2604	2715	1320	21184	0	6973	1754	0	2191	0	0	2304	29125	0	0	1639	1451	9407	6465	1320	0	0	0	4075	9946	0	0	1454	2591	3923	3387	0	2299	3902	2413	0	1756	2298	0	5218	5549	2786	1739	4138	3844	0	23787	26816	30261	0	1615	0	0	0	0	1702	2144	6973	2835	6202	2183	7237	5437	2144	3794	2755	1723	0	0	3340	0	9077	10079	0	5120	4222	6640	3667	3635	0	1077	2102	0	0	2703	0	1974	6646	Phytochemical	0.33333334	0.75	0.0
18	C21 H22 O8 S1	435.1108	435.11157	0.36139074	435.11096	22485	19798	33962	29748	33418	12724	4161	4291	34944	86365	78334	1535	33418	7432	6216	4430	4072	22828	39420	48619	59909	53781	8371	14760	6385	57936	2790	37371	0	1714	2628	2931	6403	0	98959	4447	7113	2912	3969	104700	77914	6734	811	0	0	44488	60316	0	5351	1674	12952	37012	10687	0	19437	15716	7425	14690	18970	17594	5750	41022	17445	14604	5605	31220	11403	3916	49619	83512	150976	2216	1407	2357	1220	0	0	3833	6651	74778	5520	25849	16454	34592	32200	12612	20392	7726	6484	7068	54968	32673	7368	104434	146118	0	20256	15365	16753	11739	13947	6233	1991	12070	32358	8911	12339	0	8195	32585	Organosulfur	0.3809524	1.0476191	0.0
16	C25 H22 O5 S1	435.12607	435.1264	-0.47316584	435.12585	0	2811	5426	3764	0	5115	1962	2144	3022	0	2180	1500	2069	3235	3773	4739	2577	0	0	5424	5395	3441	3007	2493	3986	3649	2646	0	5531	3220	7266	0	5660	3815	5117	1980	4299	3782	0	5496	4172	3019	3168	0	0	3533	0	0	4713	2620	4322	0	3408	0	5355	4072	3364	5806	4523	0	0	7296	5436	3384	3129	3403	2843	3164	0	3567	0	6345	0	4364	25548	7071	0	4772	3754	0	0	3304	3610	3768	1824	2953	3181	2254	3662	0	0	3932	0	2381	0	0	5208	0	2363	3448	0	2563	5580	4132	0	0	5467	0	4325	3798	Organosulfur	0.2	0.88	0.0
28	C21 H22 O10	435.12857	435.129	-0.17769802	435.1285	10476	8924	8011	8050	11428	9005	2747	4392	16030	26461	8413	5038	25477	7429	6385	6624	0	19302	16150	21909	20214	13767	8573	6642	4481	11949	2655	6895	3378	4825	3014	3911	5803	4600	28741	2547	6693	4750	2899	11161	8839	5872	1457	0	0	14041	15388	0	4488	3592	12161	8582	8163	0	17515	10851	5946	8021	4729	2229	7050	8805	17763	11760	4656	16728	7219	3352	13101	22101	20133	5281	2712	3807	3235	3355	0	4277	9671	6100	9534	10001	4189	7927	15376	8818	8055	4152	4995	3013	5998	6371	3626	5846	13187	1309	10211	6534	9166	13030	14673	5771	3379	6464	10579	4267	9918	0	2640	21450	Phytochemical	0.47619048	1.0476191	0.0
20	C21 H22 O10	435.12857	435.12903	-0.13793151	435.1285	176776	175299	176056	155673	202874	181547	62918	99555	245284	433433	165044	71147	348251	127757	124604	108864	51294	282225	243838	320438	301193	237506	122120	115119	91414	204072	66252	129735	103516	80523	88449	95254	114811	85916	484482	70468	144975	89174	55582	247100	153838	95801	8341	1856	1563	293205	265371	1257	106987	80987	170210	183414	141916	1857	267227	196445	97074	124876	123853	56632	105491	154789	343747	206530	89527	234344	108050	70590	186611	320065	249869	108974	84379	80227	53700	80828	2213	94114	149662	126103	129294	207841	75316	153618	218725	123504	122771	75665	104985	67887	116699	141438	140010	152569	216622	3007	189694	157447	189174	182500	159851	98115	73933	120942	200250	101564	158649	2288	80063	358830	Phytochemical	0.47619048	1.0476191	0.0
26	C21 H22 O10	435.12857	435.12903	-0.10827854	435.12854	10289	13060	12797	12103	19210	15964	2136	6999	26945	35720	9782	5406	42511	12794	8676	0	5731	31989	18508	27743	26446	21030	10144	8329	7613	12170	0	5794	0	0	7136	4147	6473	5966	37516	0	7990	6747	3202	15344	11309	6960	0	0	0	20302	29905	0	4828	0	13574	12571	14034	0	27519	27398	7331	7020	5149	3631	10902	12752	38417	19766	5923	21138	6477	4476	13727	35205	26493	5643	4984	0	0	5194	0	6090	13071	12746	10862	12171	4020	12580	23467	11872	9192	4887	6430	3022	9218	8233	8095	12747	30088	0	15198	11135	14422	20727	22352	0	5356	6850	12696	4691	13172	0	5114	38692	Phytochemical	0.47619048	1.0476191	0.0
16	C21 H22 O10	435.12857	435.12912	-0.06743524	435.12854	456805	472785	425372	465787	433681	307773	201436	300979	511159	2416808	535582	204159	599971	223215	287514	263842	171166	576616	541672	952307	1724914	1388536	323502	312621	216482	519267	179871	361857	254705	251837	298087	315976	339692	237249	2916160	266693	347473	243143	196030	1325668	932560	190273	10915	1583	1342	1409492	1367052	2168	323073	289189	458148	450999	313038	2118	521881	339499	207838	321206	316810	196354	306629	961356	1292072	399004	178372	441171	277791	192485	522178	1722452	1461872	310974	289166	253391	163402	270340	1181	231004	355788	349585	288985	1205030	222501	869628	413121	232657	279361	206261	258841	212111	290603	357919	407631	893342	1223844	3723	439239	441227	404457	339983	323212	268101	198624	296466	474155	319712	354306	1719	208034	1300902	Phytochemical	0.47619048	1.0476191	0.0
12	C21 H22 O10	435.12857	435.12915	-0.092938215	435.12854	268520	289623	289118	283572	344884	126223	164184	201096	418934	1270742	792042	134596	387106	92517	133488	196205	164395	451512	478732	993214	938896	398800	168251	227316	90358	542484	138795	270970	156063	157460	160703	179180	185021	153710	1508506	147108	176109	164161	175677	672792	886572	110024	5936	559	0	738848	977316	622	184699	184218	273474	275771	275860	1025	233530	137770	103128	201602	199822	219348	257201	546466	551262	369904	94736	393290	249908	183995	441426	858600	1030244	175556	169292	157830	143129	172233	406	138390	191317	230742	389200	588046	139866	423728	363186	112175	179216	102266	115179	216555	145024	184451	191461	566314	656066	1885	552552	292672	231051	308476	291530	193317	129466	217574	382274	161151	352320	638	134624	517662	Phytochemical	0.47619048	1.0476191	0.0
6	C21 H22 O10	435.12857	435.1293	-0.108260155	435.12854	9973	11794	8139	11066	6023	5131	4216	8705	9423	21895	14298	6396	8264	4096	4784	8870	8174	8205	8616	13833	41686	11061	8218	8945	3672	6776	4013	4448	5901	5813	6753	10052	6824	6242	35546	6294	8312	6411	8779	9419	17523	3622	0	0	0	9488	15402	0	8007	6814	9311	8890	6221	345	7750	9035	4316	7720	4775	9498	10205	9015	23172	9835	4920	6292	6240	13125	11640	14670	20009	6473	7291	6504	0	7044	357	5493	9387	0	7119	7123	5199	4327	10068	4069	7424	5565	5358	9164	0	5252	7093	6868	7465	0	11106	8598	7318	8529	10781	7547	7192	8299	8436	6567	7393	0	3834	9241	Phytochemical	0.47619048	1.0476191	0.0
14	C21 H22 O10	435.12857	435.12915	-0.069074444	435.12854	439808	854178	415341	852792	654016	245364	211103	303932	815642	2316316	1129658	221263	881716	194091	251320	292966	200733	439686	413443	1713704	1639974	614401	288094	332378	188477	505150	189055	415944	237184	262711	278808	323376	330970	247106	2702954	258173	301123	244975	233223	1283080	583427	193760	10742	1068	765	1271866	756928	1387	311946	257870	413988	408844	250671	1476	813838	509844	359100	308582	399546	257435	423535	897422	1008362	742968	179261	733774	235391	232795	594216	1569852	1599590	289475	266440	275630	163054	277284	814	233814	330594	390827	299865	1067532	215322	771618	679946	220925	262941	198012	225876	264921	255109	301006	302903	470438	1075638	2935	443086	401759	372643	578678	553422	277497	216360	356846	635007	266312	280936	1038	196404	909264	Phytochemical	0.47619048	1.0476191	0.0
6	C20 H22 O9 N2	435.1398	435.14047	-0.15481573	435.13974	42986	43178	34491	42238	26986	17898	20705	36367	37240	84817	56518	25454	46966	10037	22483	44793	32356	35606	46481	58595	89587	70900	29135	40351	11784	14980	17028	31521	27145	33165	27935	32960	41746	27496	98393	25539	36054	23293	45467	51554	97502	20663	0	0	0	51141	101699	0	35540	28382	40964	41167	22773	0	45381	30478	18638	36275	26230	37732	40858	48126	63996	35540	19845	41468	26735	49820	32938	35726	60158	28158	30932	24898	16760	23813	0	19960	26264	32738	24498	36151	19950	25556	36251	22701	29358	30023	26531	53862	27432	40580	51066	57604	62196	0	41131	44251	23060	34389	36209	36861	22407	41690	55638	33588	24964	0	19795	58367	Phytochemical	0.45	1.1	0.1
4	C20 H22 O9 N2	435.1398	435.14053	-0.1538785	435.13974	9577	9163	8436	7268	6629	4121	3636	6500	11096	12922	15024	4890	13380	3130	4199	9124	8777	8096	10348	11855	17297	15504	5227	6769	2250	3949	3679	4473	3203	4638	4458	4829	7041	3739	23500	4049	6026	4747	11536	10179	19744	3671	0	0	0	10881	20759	0	7024	6203	7531	6797	4918	0	10694	10137	4456	6358	3882	8246	6861	7784	16306	10380	4803	10308	5235	10625	8100	3638	11545	5101	3260	4506	2276	5651	0	4691	6811	9388	5120	7067	3380	4540	11715	5205	5451	5252	5467	11798	3771	6290	11991	12407	12578	0	7184	9932	8656	12170	10155	5641	4773	9047	9212	6920	7729	0	3937	14820	Phytochemical	0.45	1.1	0.1
28	C25 H22 O7	435.14383	435.14413	-0.23664281	435.14374	1241	1545	2791	879	1936	0	888	0	2420	5209	5756	0	4531	1887	0	0	0	0	2824	2866	4403	2003	0	0	0	14070	1153	4177	0	0	0	0	0	0	6866	0	0	0	1608	2260	5774	0	0	0	0	3244	5033	0	0	0	1900	2295	2015	0	2642	0	979	0	0	1452	0	2755	3447	1040	0	3260	1117	0	16321	9282	22690	0	0	0	0	0	0	0	2196	4266	1595	2284	0	3702	3372	0	1668	1436	0	1681	1318	1349	0	4818	3920	0	2159	0	1971	2993	3425	0	0	0	0	1966	1641	0	963	2931	Phytochemical	0.28	0.88	0.0
22	C25 H22 O7	435.14383	435.1443	-0.116948344	435.14377	28642	33153	25769	37426	36024	29663	11562	15037	38061	79051	91475	11851	38348	14366	21119	19323	14911	37075	37726	57534	70450	50965	29898	23871	19484	170784	6121	78486	13739	12527	15401	13466	23254	11951	102975	8495	17855	15882	7022	56704	65531	16037	0	0	776	43676	63038	0	19090	16809	34732	31451	33609	0	30448	29466	21117	18466	19044	12486	17077	45958	44728	26797	14974	38167	34344	13136	152505	139609	183432	12192	4958	8203	8069	9091	588	14278	29450	39993	30149	42451	16126	47971	43177	26475	28954	21147	22209	20224	16953	36699	28461	57423	64530	0	32639	30375	42074	36275	29416	23979	11842	23446	32860	19754	33963	0	22248	49937	Phytochemical	0.28	0.88	0.0
20	C25 H22 O7	435.14383	435.1443	-0.15691398	435.14377	22207	20083	22212	19055	26718	9346	7450	7141	23751	52621	57593	5718	21702	12455	9112	7407	7877	21235	23957	55123	58098	27541	11033	7867	9080	153981	7073	44330	7568	6130	6263	6700	7898	7297	70235	6882	8437	6690	11087	36590	41973	11971	0	0	0	27103	36130	0	5960	7661	30500	27217	14702	0	13325	17014	10469	9904	11154	11975	8705	24739	24985	16336	9271	21409	12320	11062	106026	120528	181466	5138	5959	5560	7069	4544	0	7391	19662	22970	18189	21064	11375	40068	21287	14167	17636	11150	14518	15947	16639	18090	13125	27734	35152	0	23145	20568	22887	20880	20842	11483	7013	10198	18182	11238	18976	0	9957	21252	Phytochemical	0.28	0.88	0.0
26	C25 H22 O7	435.14383	435.1443	-0.17649207	435.14374	4529	5943	5982	3582	7066	2940	0	0	7698	11062	12147	0	6838	3506	0	0	0	5424	7434	11824	16525	7445	0	5639	0	32347	0	11312	0	0	0	0	1848	0	18626	0	1959	2636	2218	9125	16873	0	0	0	0	0	13611	0	0	0	5662	4702	4702	0	5370	0	0	2079	3804	0	0	5474	7945	4486	0	6502	4720	2289	49194	31507	55634	0	0	0	0	0	0	0	6521	9404	3497	6363	0	10206	10112	0	4899	4275	0	3120	0	2878	0	10406	11355	0	6379	0	5258	6667	7277	0	0	0	0	1373	7828	0	0	6562	Phytochemical	0.28	0.88	0.0
16	C25 H22 O7	435.14383	435.14432	-0.25459784	435.1437	7000	7824	6688	6253	4036	0	4016	3729	4087	14822	13791	2477	3790	5849	3941	0	2577	4917	3742	10802	11269	3128	5580	6615	3389	22763	4184	5659	5752	3317	3761	0	8549	3852	12358	4237	3527	4232	5387	7144	11439	3234	0	0	0	6902	5824	0	7278	3690	6467	7295	3577	0	4498	3716	2950	0	3993	3924	0	3453	4973	3345	4656	7760	3882	5748	17426	16435	31742	4094	4037	2942	3427	4379	0	2671	10379	7161	6423	5672	4643	5476	6733	3259	7085	2237	0	0	6299	6743	0	4909	8303	0	3691	6358	6112	2896	4289	3371	2855	3552	4704	0	6276	0	6156	5629	Phytochemical	0.28	0.88	0.0
22	C22 H26 O7 S1	435.1472	435.14777	0.09208319	435.14725	37358	26832	29828	27377	17403	16762	4359	15678	18609	97783	57138	5528	21475	8777	16148	23378	9022	22946	36134	99391	88667	56328	19064	29548	8429	106073	12730	54295	7545	4318	5666	4553	9703	7267	106642	6930	10404	13396	8539	69808	59280	20804	0	0	0	41782	37092	0	8166	4166	31229	29194	16014	280	34256	13415	9423	13105	20030	14928	19330	119138	23706	14886	8402	18526	16793	7116	76036	140675	95581	5477	4393	2972	12160	6165	0	10206	17514	36730	17504	30598	20451	55617	17854	22838	16920	10826	11170	9217	55130	61046	17312	49478	174918	0	48228	32065	17215	17212	13101	27940	12118	25565	27066	11748	14623	0	22136	28027	Organosulfur	0.3181818	1.1818181	0.0
8	C19 H22 O8 N4	435.15103	435.1516	-0.21646406	435.15094	7882	12801	9874	12717	3939	4471	8068	11696	6331	8981	6041	8598	7591	2653	10331	12062	11546	6420	10248	9257	7952	16541	10533	20101	6967	0	6392	4203	13331	8809	10499	10279	12678	10839	9241	11392	13833	8971	14432	11398	13771	6258	0	0	0	9760	11243	0	14312	8581	11724	10727	6771	0	9931	5331	6859	13733	10347	10290	12774	6340	9283	7340	5189	8107	6183	16918	0	3350	0	11760	10889	8260	9842	8985	0	9429	11838	12532	8733	5417	6612	5570	7370	5092	10944	7320	8868	25080	11718	16804	32055	8627	8685	0	12692	12864	5371	5856	4797	11582	8768	15405	0	11983	3679	0	10479	12398	Peptide	0.42105263	1.1578947	0.21052632
10	C19 H22 O8 N4	435.15103	435.15152	-0.16104461	435.15097	493872	436195	357518	383154	213770	186375	292285	405192	160167	653864	204339	297468	238742	25898	274066	306352	313872	274685	306901	629272	649681	690604	310632	406453	277077	283580	250156	184160	364602	311414	348023	280394	394437	315432	667268	309865	393582	240165	288875	554882	559727	180143	0	0	0	477617	609342	0	377795	349687	371163	397332	325424	0	219571	163358	121700	406068	318118	284660	331261	476559	270410	259706	85706	262130	206027	463580	99755	533197	474757	454091	257838	258037	316223	265565	0	240483	330522	278602	339905	324787	344422	281801	135519	128015	343604	174075	261741	543550	376675	470428	617176	460857	792068	0	371229	452689	97750	149354	223311	401755	225510	503282	250950	360817	127751	0	366396	340081	Peptide	0.42105263	1.1578947	0.21052632
6	C19 H22 O8 N4	435.15103	435.15173	-0.18026975	435.15097	9208	9507	8828	10752	5819	3969	4596	11900	6240	7381	7630	8039	6781	1598	8371	15415	12096	5437	8471	7124	9885	16817	9400	14899	5489	938	4779	6965	8602	8194	9507	9762	13093	7916	10021	8091	10519	7627	13382	6982	10334	6156	0	0	0	8746	14840	0	12482	9488	8629	9726	4313	0	7653	4024	4768	11990	8023	9190	9849	5517	8155	7609	4816	7196	6775	16407	0	2381	0	8301	8657	6738	4786	8931	0	6195	7353	10178	8278	5267	5961	3305	5469	4502	8090	7557	5602	23810	13153	13975	22338	12692	7334	0	10238	8733	2991	5060	4326	13161	5258	12210	0	12274	4113	0	6292	10520	Peptide	0.42105263	1.1578947	0.21052632
6	C22 H26 O9	435.16495	435.16562	-0.19850203	435.1649	15820	15780	14096	6825	6672	3244	5503	10089	8842	18296	5303	5824	9942	2507	5752	10543	8503	4398	11250	13424	19852	14902	6479	9697	4241	4798	4956	4660	6530	9202	8868	7822	6336	5225	9462	9692	6467	6786	12097	7257	20420	4836	861	462	791	6945	10308	485	7643	7674	11780	8548	3541	751	14850	8464	3568	7540	8430	13684	9167	5331	8718	3829	3401	3372	4162	12058	6035	6614	8692	5018	7215	8076	3876	8541	617	6432	7221	0	8696	14154	13216	5589	4391	4125	7124	3462	4420	9167	3469	5216	8969	6187	7090	640	15636	11070	3854	7062	11172	8920	5740	8265	0	6363	4456	629	4903	1795	Phytochemical	0.4090909	1.1818181	0.0
8	C22 H26 O9	435.16495	435.16556	-0.21688667	435.16486	57946	34143	43932	56906	24084	11298	21157	37413	37958	38368	25696	42494	30696	9109	41240	63630	58234	28824	39600	83292	85118	66840	49586	37914	15341	28315	43448	20790	49562	52522	52656	64422	48382	45512	45642	57506	47432	44900	36299	60646	39290	27558	882	636	634	38972	41908	555	60758	69928	56278	56648	24070	730	42630	29988	12743	52190	52102	31942	31041	41768	20239	34516	12712	27278	28948	76820	32955	64704	52457	56188	53616	59306	16839	62404	514	38428	66820	16086	53580	26858	43176	23478	35584	11799	50316	19758	25648	62148	13995	23314	62466	19358	30595	1056	58940	54806	15781	22286	19308	54768	40144	77294	23150	44654	15302	621	24043	27940	Phytochemical	0.4090909	1.1818181	0.0
16	C22 H26 O9	435.16495	435.1655	-0.06995784	435.16492	2074050	2298930	2103310	2193074	1682280	613531	1199386	2142096	1886338	4550298	2546170	1301940	994086	452942	1667830	1862176	1179650	2118832	2318148	4426216	4139714	2207668	1831806	2219394	1351598	3792976	1188422	1994404	1756444	1746668	1931868	1026723	1991062	1529830	4991060	1783868	1973716	1450072	1411404	3020492	2221906	525795	21233	4178	3132	2263402	2101688	3705	2087426	1878978	2257776	2129606	1359168	4502	996062	664040	491675	2160198	866234	644612	1011225	1917428	2120124	1617934	391374	824047	1252478	1288676	1499715	5259026	4554698	2064794	1922798	1944942	676009	1977722	2851	1391366	1894922	629287	1689124	1745390	1550514	2047278	826199	499151	1663118	1051862	1264030	919992	765817	1796784	1232367	1307432	1976548	8563	2143492	2067410	728354	625420	642895	1789902	609453	2085508	665920	978612	704850	3903	1457182	2220010	Phytochemical	0.4090909	1.1818181	0.0
22	C22 H26 O9	435.16495	435.1654	-0.1416574	435.1649	258725	238886	222857	245037	242647	212539	101355	215039	280078	560899	222860	127073	337126	158507	188367	174879	94022	384250	289980	471207	440580	279215	209861	231032	182603	343096	85903	179204	184723	166261	191402	197155	215284	157124	569397	186226	249059	159649	103446	314266	194728	123685	11427	0	2582	302954	217199	2693	189150	179633	245030	255644	184429	3355	347878	207730	123526	200520	190329	91952	183306	221556	358027	263794	104455	250665	163980	113315	293086	625966	409197	214142	161204	173312	96963	171889	2531	160203	228280	101492	204741	195566	124450	184376	250502	160545	185638	125907	151016	120341	214641	217773	256269	157666	221983	2762	237606	244814	198956	223761	189169	177720	136885	194125	179258	189270	179266	3820	136950	431358	Phytochemical	0.4090909	1.1818181	0.0
4	C21 H26 O8 N2	435.17618	435.17694	-0.1869278	435.17612	12967	17281	15115	16223	8860	8574	6817	15204	10448	20880	12045	10497	16595	6371	10799	14069	15150	13807	14868	23085	26706	29396	13060	16660	9317	8183	8895	6856	10828	11474	10858	12353	14912	9792	30641	14037	15667	9576	20453	19779	23318	8019	0	0	0	18160	24786	0	13482	11451	15779	12695	9061	0	17243	10719	6308	12668	11071	13828	18038	11971	15156	13563	6090	12921	8630	19973	12739	15102	13641	10742	12738	11306	7046	9797	0	8846	15188	13443	10264	11415	9386	11978	9847	8505	11881	8975	9217	19463	17712	21675	26822	17783	23265	0	13919	18696	9299	13757	10944	17328	8704	18185	12511	13392	8306	0	8076	16221	Phytochemical	0.3809524	1.2380953	0.0952381
20	C21 H26 O8 N2	435.17618	435.1766	-0.1809838	435.17612	23366	21319	24966	18263	18680	20044	12995	24037	12822	27403	10402	11858	19164	9203	21668	20245	13137	24882	27596	36960	24018	31365	16699	24010	25216	7801	11588	15519	23262	21109	23046	21268	29382	23634	37007	20384	34592	16166	11773	31362	24136	17181	0	0	0	20824	11413	0	25310	15643	19689	19917	18145	0	16307	9341	9003	29837	24047	10846	24960	17297	22548	17303	8581	19554	17095	15593	9004	22484	9697	22674	18991	19202	13623	16039	0	17571	19903	15166	14601	16569	19997	14264	9242	9229	24407	14919	13583	20364	25035	33396	48668	18350	21592	0	24242	26419	9608	9918	12800	27663	13498	22963	12343	27411	13746	0	18654	27002	Phytochemical	0.3809524	1.2380953	0.0952381
16	C26 H26 O6	435.1802	435.18063	-0.31776813	435.18008	10443	6603	5346	5038	4553	2066	4969	5408	3867	6252	7066	6731	2177	2145	5260	6459	7617	4764	7363	11555	8545	7903	4020	8766	6759	15757	5888	7415	6054	5246	4823	6760	5390	2303	5603	6043	3889	6141	7825	6623	6474	4698	0	0	0	2625	7537	0	6652	6812	7236	6064	3199	0	6319	2774	3461	10961	4570	6076	7752	3754	3113	2845	4530	3470	2834	8836	8291	14562	20305	5809	2939	5001	9404	6323	0	6112	9205	5748	8701	3741	4471	5752	4491	2211	9862	4142	4283	0	5920	6177	0	4930	3619	0	6660	8149	5197	3848	7018	5688	4863	5140	4252	0	3958	0	9451	4166	Phytochemical	0.23076923	1.0	0.0
20	C26 H26 O6	435.1802	435.18066	-0.20106149	435.1801	26444	35086	32797	24765	26517	17662	16954	25039	27451	45136	46796	14826	25062	23538	19638	28531	21114	23448	31800	53486	52607	29855	24696	26926	18247	141037	15326	42939	19828	17719	18903	19447	26245	16231	49870	16181	23019	19752	23348	38765	51674	21986	645	0	0	33859	35940	0	20356	24497	32857	39136	22203	0	21599	26025	21905	27627	14737	22225	27710	25906	24447	16429	13895	25547	21727	27614	114900	138658	174757	19719	15669	21588	19085	22879	0	16280	35089	30172	27662	16736	20133	45164	24340	14965	38867	18184	17052	34654	23823	23356	36758	25319	26259	0	30534	32789	24579	25029	22090	26391	16007	29110	20530	23975	31541	0	24060	24983	Phytochemical	0.23076923	1.0	0.0
22	C26 H26 O6	435.1802	435.18066	-0.18492335	435.18015	51439	53865	36630	45147	40047	23833	14359	29387	43997	70649	89462	17839	34801	30172	22037	38958	27310	33492	49763	84213	83742	43534	30386	41307	26549	248123	17590	80334	22642	26396	26818	29468	30318	23938	86820	22961	24851	21463	27286	69717	86454	32310	0	0	0	42631	47138	0	29371	26364	44313	45053	36361	321	34146	34364	23680	34760	24021	27488	32672	44852	36982	32095	23713	40181	37606	27068	202852	203918	273437	25157	18926	13190	19105	25458	0	20245	43478	39349	39352	31786	23497	59969	47533	33021	46728	28683	30242	47161	31470	29914	38211	40215	47635	0	40148	42104	38175	35243	36425	31585	41274	39757	32995	33473	35101	0	34123	36727	Phytochemical	0.23076923	1.0	0.0
26	C26 H26 O6	435.1802	435.18063	-0.23031926	435.1801	15019	14687	12919	13750	17411	7059	5374	7332	14889	22367	34868	5578	17765	10482	0	6205	7873	13363	16998	33340	27244	13048	7099	6505	7359	86209	3102	31705	6030	5691	7076	4846	6995	6900	26656	6022	8106	8624	6105	19150	32190	6571	0	0	0	15651	22460	0	6334	7292	15918	15619	14516	0	9461	12852	8099	5253	7871	6778	9111	17337	14309	10872	4417	17934	16718	7420	95765	53850	87387	5093	6230	0	0	4556	0	5797	11995	19844	10990	13784	8160	24722	19010	9594	9855	8575	7612	6083	6255	9718	12289	17274	13015	0	12483	14410	13540	20620	18386	7183	3960	10449	10729	8349	15840	0	8878	12528	Phytochemical	0.23076923	1.0	0.0
18	C26 H26 O6	435.1802	435.18066	-0.24297534	435.1801	17367	13735	13097	14854	9692	8473	10330	16549	9180	18007	18086	8490	10891	8555	12880	18074	15999	6182	11135	18449	20898	13965	15509	17637	8338	50486	10998	19646	9600	12069	9098	12925	15913	15918	19914	11045	12986	13315	16914	17579	28357	6697	0	0	0	10634	13257	0	11783	11547	14783	14165	10137	0	7615	10017	8103	13979	11504	12773	12220	12683	15957	7231	9109	11562	11226	17462	50112	41927	67985	10337	10175	10822	11578	15967	0	8290	23585	12067	17210	14362	11663	15363	16975	9106	24840	8101	9652	25131	14176	11741	21782	11646	16395	0	12635	14702	12919	10540	11156	9168	12326	13755	8578	13448	11304	0	14334	9551	Phytochemical	0.23076923	1.0	0.0
8	C20 H26 O7 N4	435.18744	435.1881	-0.19786501	435.18735	14624	16016	14276	15950	3769	4654	9104	13142	5052	6012	6291	5872	3522	1592	10110	13722	12124	3358	7313	8833	8697	15216	8710	18030	9971	834	6887	21340	11037	8397	12117	12695	13851	10640	9859	11498	13953	9990	13127	10961	8844	3199	0	0	0	9212	9377	0	13710	9188	14356	14555	4003	0	5807	1627	3131	13137	9496	7034	15789	6016	3266	4691	2420	5980	5510	14002	0	4307	4053	11543	8994	10503	7634	7919	0	7386	9820	158367	8237	6360	8743	6677	2257	4679	9992	6651	7124	21049	128490	49450	30638	26424	12509	0	14083	9458	3369	3267	0	12780	7534	11754	8793	11055	2751	0	10324	2786	Peptide	0.35	1.3	0.2
4	C20 H26 O7 N4	435.18744	435.18814	-0.16722193	435.18735	5015	5385	5619	3972	1936	1344	3175	5480	2521	2179	2504	3035	2863	0	3677	4361	6810	2288	3362	2146	3018	7082	4728	5112	3741	657	2915	3820	4647	3528	4154	4500	5696	3078	3310	4084	6331	3479	7680	3765	3035	2384	0	0	0	2993	4352	0	4238	4695	4806	3793	2201	0	3213	1475	1561	5980	3182	3045	7617	2765	2693	2744	1814	2405	2515	6346	0	0	0	3978	3926	4240	1527	2402	0	3167	5963	39967	2745	2241	3144	1624	1808	2472	6483	2185	2978	10518	22051	12937	14050	5925	3488	0	3233	6685	2312	2059	1569	5698	3201	5414	0	4393	1700	0	4096	2988	Peptide	0.35	1.3	0.2
10	C20 H26 O7 N4	435.18744	435.18796	-0.19306742	435.18735	10109	8673	10595	10666	4963	3284	10264	12142	2887	5671	4129	8135	1862	2186	11305	12840	6805	3674	8466	6948	8044	12463	7846	15058	12631	0	7065	6575	12374	6913	8689	10747	12017	7072	7532	9352	12450	7677	11033	10038	6774	3226	0	0	0	8226	7063	0	10504	10434	9032	10409	3294	0	3216	0	2961	16964	7430	7207	0	4778	4053	2319	2827	3967	4943	12372	0	0	0	13105	8300	7489	6924	8158	0	6457	9987	23255	6259	4486	6598	3664	1897	3804	11386	4478	5332	18999	40118	24564	20639	5123	8998	0	9349	10278	2079	0	2116	11455	6265	11679	0	8184	2416	0	9007	3209	Peptide	0.35	1.3	0.2
6	C17 H30 O7 N4 S1	435.1908	435.19104	-0.30576488	435.19067	0	0	0	0	0	746	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2875	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10438	0	0	0	0	0	0	0	0	0	0	30875	9787	0	2273	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4117647	1.7647059	0.23529412
10	C18 H30 O10 N2	435.19733	435.1986	0.631366	435.1976	15418	13430	15550	14550	4358	6768	11706	18756	2808	14732	4966	9544	5384	0	15234	12652	11922	7038	9534	15844	12892	24472	12848	24456	15334	5582	15888	6628	17992	19142	13596	15032	17534	21364	15346	15358	14994	10148	17954	19866	12652	6352	0	0	0	22872	14444	0	20460	13164	16310	11300	8570	0	4818	5022	5167	17154	8838	16486	0	12058	3460	5526	3762	5181	4184	19041	0	12590	0	19552	16860	16988	10498	14148	0	12420	10940	10006	10816	11228	16530	12898	4075	4337	12644	5988	9140	22428	27060	26376	29928	12500	23036	0	12210	15370	0	2244	3089	17004	9960	25588	0	13736	2604	0	12922	4328	Lipid	0.5555556	1.6666666	0.11111111
20	C23 H30 O8	435.20135	435.2018	-0.11200927	435.2013	1455110	1442607	1441050	1291231	1147738	960988	729221	1417944	1341341	2879638	1322549	783012	1482949	730529	1218080	1278324	679979	1479168	1708812	2977228	2782970	1368203	1106678	1431331	1061131	2190986	658698	1280198	1391716	1196229	1138120	1243370	1440870	1158944	2940515	1205875	1569017	944786	767366	1768103	1003109	896513	25583	6786	2816	1282629	788065	6474	1302200	1127278	1379696	1390439	980061	7229	1596611	1066275	711574	1399901	1263504	621387	1287028	1034896	1501367	1268568	581505	1210304	889553	788735	1737879	3562313	2492991	1268550	1188190	1271076	865827	1205603	2043	1012530	1220275	658811	1046238	689012	1016708	1070599	1078434	768099	1099730	744911	905920	821310	1380243	1469928	1671245	755298	1095647	8953	1435804	1397829	925699	934854	905049	1399469	854972	1477489	761096	1189850	892482	7930	872283	1675575	Phytochemical	0.3478261	1.3043479	0.0
0	C23 H30 O8	435.20135	435.2022	0.097720385	435.2014	0	0	0	0	0	43731	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1110	1090	0	0	0	1065	0	0	0	0	0	0	0	0	0	0	430	660	0	0	361	0	0	0	0	0	0	642	0	0	0	0	0	0	0	0	0	0	0	0	0	1074	0	0	0	0	0	0	0	635	0	0	0	0	544	0	0	0	0	0	0	0	0	0	0	0	0	0	533	0	0	335	0	0	0	0	0	0	0	0	595	0	0	Phytochemical	0.3478261	1.3043479	0.0
2	C17 H30 O9 N4	435.20856	435.2094	-0.024891404	435.20856	1907	1502	1344	2027	854	0	1466	1711	522	0	1275	566	884	0	934	554	1645	1675	430	0	0	714	663	1277	635	0	0	21836	1674	1083	1488	1463	2586	2220	542	1287	2192	1277	3618	0	0	0	0	0	0	0	0	0	632	0	1932	2107	1063	0	936	252	459	1839	0	0	0	0	1209	641	0	1453	1080	2577	0	0	0	1969	2478	856	0	1258	0	840	1450	130962	2021	0	0	0	483	384	1320	1755	1192	2534	31441	13234	2041	14909	0	0	1738	2082	0	0	410	1878	948	460	0	1051	829	0	1368	1027	Peptide	0.5294118	1.7647059	0.23529412
20	C22 H30 O7 N2	435.2126	435.21307	-0.24773006	435.21246	20357	18397	23065	14986	10387	15580	12341	25710	13632	19971	6738	11314	10872	10044	18619	24316	11365	16354	20273	29030	22567	28566	17195	26374	18341	6216	8203	12286	25440	14497	19506	28882	40546	22082	21708	20202	28468	13729	14434	24915	13213	13564	0	0	0	22577	11829	0	22618	15953	18143	19593	14658	373	12474	7105	8158	26021	21936	9972	28791	12439	7232	10836	6464	10625	12629	16138	8123	16209	5808	22872	20067	16545	16706	20028	0	14651	14382	11351	12636	10010	17054	9962	5915	6514	13222	13257	11980	25611	41243	44600	45589	11249	16886	0	16079	14940	5033	6721	6377	32179	12495	23993	12842	31099	8125	0	17422	16439	Lipid	0.3181818	1.3636364	0.09090909
24	C25 H31 O5 Na1	435.2142	435.21393	-0.55812144	435.21396	0	2292	1612	0	2332	1480	0	2878	1187	1427	0	0	0	0	0	2948	0	1215	0	1539	1706	3940	0	0	2093	2467	27525	1516	2559	0	0	1616	1370	2666	1846	1302	4000	1261	1883	0	1541	0	0	0	0	0	0	0	0	0	0	1296	2025	0	1483	0	0	3654	0	0	2216	1306	0	0	0	0	1701	2107	0	2384	2120	1946	0	0	0	1934	0	0	1228	0	1224	1597	1117	0	0	0	0	1123	1631	3264	2127	2898	3054	0	0	0	2268	0	1057	1218	0	2601	1611	11397	0	2150	0	0	1220	2412	Phytochemical	0.2	1.24	0.0
18	C27 H30 O5	435.2166	435.21704	-0.2633668	435.2165	10631	11277	12034	14972	7416	4800	12632	14129	7741	5592	9830	11085	1955	5450	11512	19535	21360	7593	9735	9793	7933	7059	9305	16399	11040	18397	11177	7411	7893	11410	14539	11201	12959	8227	9348	13046	8773	14969	26098	7301	11221	7732	0	0	0	8526	9868	0	14816	14355	15929	9006	8421	0	5603	9909	7235	11390	7023	16907	10239	4670	6270	4711	5475	4376	9573	27062	18635	11310	30827	4526	8370	13765	18648	13563	0	8355	18074	6068	21157	7120	8555	7033	11030	8177	23550	7204	4888	30090	12863	9701	13873	8403	9728	0	11593	10764	9665	8552	11328	12144	8679	12164	5516	8111	9034	0	15288	6641	Phytochemical	0.18518518	1.1111112	0.0
28	C27 H30 O5	435.2166	435.21704	-0.24627008	435.2165	8582	6851	5643	5786	7534	4236	3891	7287	5746	3868	9799	3681	7633	3692	3952	6464	5317	4203	8488	7136	8111	5768	4835	8787	5776	26152	3429	10781	5607	6654	4433	5169	7084	5200	9305	5704	7845	3799	6573	6562	10087	4773	0	0	0	6873	6465	0	5619	6418	7667	6429	8060	0	5869	6653	4825	6231	5014	3201	6708	4115	5232	5137	2958	11560	6893	7151	29387	15424	25761	4790	4557	4055	2600	4921	0	4183	7759	7787	5777	5612	6255	9388	10441	3832	8779	3693	5235	7058	4973	5089	7851	8462	2971	0	7308	6061	4122	15583	13424	7793	3829	7202	4161	6070	6614	0	5302	4906	Phytochemical	0.18518518	1.1111112	0.0
4	C21 H30 O6 N4	435.22382	435.22452	-0.18538393	435.22372	2426	1762	2562	1443	0	1442	1351	2869	489	0	0	765	354	0	1763	2299	2040	490	1087	0	1307	2330	1667	2066	1959	0	1437	0	2515	1023	1521	1413	1974	1223	1690	1757	2056	1946	1487	0	786	883	0	0	0	0	0	0	2666	1422	1813	1183	815	0	589	321	503	2487	709	0	2765	0	315	376	0	0	816	2158	0	0	0	1675	1555	1703	1373	1612	0	1107	1916	51933	1201	515	905	388	436	632	1294	0	787	1904	39362	11265	5272	4103	1904	0	1832	1862	0	0	0	2251	1311	2019	0	1788	365	0	1715	783	Peptide	0.2857143	1.4285715	0.1904762
8	C21 H30 O6 N4	435.22382	435.2243	-0.22262971	435.22372	5726	4252	6114	4566	811	2593	1829	4327	895	2108	1840	1260	0	0	1418	3357	1851	1487	2424	0	1320	3499	1439	4542	1902	0	1791	15698	3002	2151	2222	2311	3571	2043	2058	2531	3606	1994	3597	2250	1353	2064	0	0	0	2413	0	0	3653	1841	5047	3577	916	0	1400	0	843	5538	0	0	0	0	0	672	0	1041	1629	4067	0	0	0	3168	1727	1839	2442	1161	0	1378	1705	134622	2465	916	1642	1074	0	0	2887	2371	1022	4062	179885	43345	8770	11736	3906	0	6408	3633	0	863	0	3001	1989	0	0	3397	0	0	2850	963	Peptide	0.2857143	1.4285715	0.1904762
6	C21 H30 O6 N4	435.22382	435.22443	-0.32961115	435.22366	6125	6243	3871	5229	1104	4062	2608	3480	492	3154	2662	1677	633	0	2914	4168	1974	1883	1559	2154	1644	4218	2098	5912	5512	0	1684	10524	4178	2047	3399	3621	3012	4376	0	3857	4105	2424	2228	2275	1123	1639	0	0	0	2214	1423	0	4125	2582	4731	5495	1129	0	1411	0	1065	2979	923	0	4779	1733	675	0	1167	668	1757	4549	0	0	0	2716	3207	2614	1233	2516	0	2580	3487	140173	1311	759	996	0	0	1406	4593	1329	1202	4606	125537	34526	8064	13333	3740	0	6341	4613	814	0	0	3541	1770	3306	0	3409	0	0	3254	0	Peptide	0.2857143	1.4285715	0.1904762
4	C18 H34 O6 N4 S1	435.22717	435.22766	-0.343571	435.22702	0	0	0	0	0	818	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46206	0	0	0	0	0	0	0	0	0	0	16810	6028	0	930	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8888888	0.22222222
12	C24 H34 O7	435.23773	435.23828	-0.19066882	435.23764	9885	10894	9796	9728	2788	2496	8034	9517	5974	2454	5070	5783	2440	2214	5530	14077	17442	2178	5319	4926	2362	5170	6650	9208	8567	1812	14814	0	6168	14598	8180	11083	9060	4988	2842	14112	10312	9512	20213	2735	5942	5066	622	0	0	6185	6300	0	13158	11072	11745	11680	3497	0	3949	4377	4349	14722	0	7545	0	1769	4390	4838	2983	3500	3891	18010	0	4460	4980	4070	6145	12317	25784	9983	0	6673	10114	0	9050	4241	7776	3527	7570	3830	14342	2713	3225	21694	9293	6041	10626	0	6442	0	9099	8790	2335	7715	8687	13386	6276	11225	0	8982	3543	0	10125	0	Lipid	0.29166666	1.4166666	0.0
18	C24 H34 O7	435.23773	435.23816	-0.23963507	435.23764	215866	223099	227137	208912	174208	113300	220627	230954	154830	175252	163897	168454	187144	114996	190550	286748	321372	178937	263173	222330	239305	189696	185109	254716	167084	240699	225142	147787	264570	225427	206585	256398	273278	194789	182475	267132	242110	185809	343353	140604	166763	146717	4868	612	636	138827	144766	820	243872	210640	206631	224758	158202	1212	245019	202314	135752	279762	132969	167134	258869	101546	210755	184694	129157	177144	164171	357956	180253	236582	303054	152055	170792	227960	318901	255957	342	151433	282168	143251	205323	126981	205232	144215	235258	165118	297565	137826	161532	318803	240699	234224	278085	124100	158906	1926	221627	218533	146784	238055	282897	281953	147772	225915	94763	199477	167043	779	210377	172839	Lipid	0.29166666	1.4166666	0.0
2	C18 H34 O8 N4	435.24493	435.2457	-0.06422979	435.2449	0	0	0	0	0	0	0	542	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13513	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29983	0	0	0	0	0	0	333	0	0	1130	8692	3794	0	1575	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.44444445	1.8888888	0.22222222
8	C23 H34 O6 N2	435.24896	435.2496	-0.14341326	435.2489	5355	6023	5813	3863	1967	1748	4921	11394	799	10607	3968	5882	1185	0	5869	9131	4791	1050	4305	20401	20981	8075	5766	8458	9467	6304	4401	3991	10526	9115	7842	6446	11066	7834	14014	7363	8615	5727	5397	10670	5622	2945	0	0	0	3356	2518	0	12379	7212	6411	8588	2236	0	1929	1187	1247	7975	0	0	7466	4275	1745	780	0	1925	2759	6261	0	15736	6761	9798	6005	6736	4406	4269	0	5378	4623	3542	3095	0	729	11003	0	0	6300	2586	2951	11562	14993	0	12680	5229	9534	0	5388	6780	1128	850	0	8031	3998	8816	0	7290	0	0	6223	0	Lipid	0.26086956	1.4782609	0.08695652
20	C23 H34 O6 N2	435.24896	435.24933	-0.30636466	435.24884	7052	4949	3947	3704	3168	2604	4627	6546	1588	2417	1624	5135	0	2503	4654	6796	9926	3248	4139	2877	4871	4924	3381	6422	4357	2089	3833	2954	7919	5941	5573	8892	7230	7531	3986	5630	10849	5669	11139	5888	3928	5941	0	0	0	6600	3065	0	8735	5059	4707	3519	1760	0	1979	1470	2190	12248	5565	5684	10282	0	0	2169	0	2896	1663	10401	0	1881	4267	8277	6496	3852	5175	6905	0	3775	6174	3034	4657	3105	4474	0	0	1794	7746	3584	5563	19466	23893	15397	12822	2069	4262	0	5295	8165	2777	1268	0	13218	4116	4547	2977	10338	2192	0	6145	1617	Lipid	0.26086956	1.4782609	0.08695652
10	C23 H34 O6 N2	435.24896	435.2495	-0.22226022	435.24887	6703	5214	5519	5880	1788	3047	3062	10888	1385	7854	1960	3112	1962	0	5264	10591	5149	2048	3625	12157	10594	8091	5441	11076	7846	1793	6076	3567	7737	7563	7286	10598	10177	6055	10394	7816	12837	5002	7276	8169	1115	3123	0	0	0	5082	2392	0	8423	5138	5141	4183	3256	0	2848	0	0	14055	0	0	0	1965	0	1670	1488	3576	2440	7258	0	5300	2241	7876	5560	7266	3793	5856	0	5760	4053	0	2755	775	0	3875	1052	1368	4548	2861	3082	13159	20195	6254	17207	4449	7233	0	4211	7109	1326	1000	832	10930	4228	6957	0	9895	1079	0	4636	0	Lipid	0.26086956	1.4782609	0.08695652
20	C28 H34 O4	435.253	435.25342	-0.27192095	435.25287	9332	7984	10574	8053	7422	2280	14847	12704	9299	2639	6539	10946	4820	5009	9509	16563	27728	4473	8340	5831	3195	6391	9299	6743	10810	11597	15215	4757	7287	11284	7901	10028	14497	5696	3428	8243	8580	9594	27988	5324	6549	5250	0	0	0	2712	5151	0	8253	9675	8819	8567	11771	0	11931	10648	9124	10462	6652	11694	7325	2177	8392	4291	8308	5474	6953	30555	7621	6453	17552	4011	3407	11280	15060	8170	0	7468	21790	9000	15090	4670	12589	0	17693	9749	25769	5765	6803	24236	6775	7002	12976	4771	3531	0	10612	12621	8823	22138	22937	16862	10766	5450	4601	9206	14143	0	14037	4826	Phytochemical	0.14285715	1.2142857	0.0
18	C28 H34 O4	435.253	435.25333	-0.26579672	435.25287	3860	3234	3448	1846	2918	0	2016	2750	1531	6415	0	2192	2036	4002	2260	1751	10563	0	0	0	0	0	1796	2943	2063	1396	6991	0	0	2485	0	0	1758	0	0	0	1917	4020	10959	0	3136	1321	3984	0	0	1567	4771	487	2044	1583	0	2043	1556	0	0	0	2080	2523	37618	4622	6083	2483	1968	1408	2202	2064	2123	10389	0	0	0	0	0	2264	4658	0	0	1935	6668	0	5788	1694	2145	0	3963	1485	4000	0	2141	7641	4463	3130	2316	2261	1899	0	1672	3854	1504	4636	6145	2387	2039	7506	34360	1613	2682	343	5250	0	Phytochemical	0.14285715	1.2142857	0.0
8	C22 H34 O5 N4	435.2602	435.26083	-0.32999715	435.26004	0	0	869	0	0	1897	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	759	0	0	0	0	0	56375	0	0	0	0	0	0	0	0	0	0	45534	14180	0	2412	0	0	1022	0	0	0	0	1459	0	0	0	0	0	0	0	0	Peptide	0.22727273	1.5454545	0.18181819
10	C22 H34 O5 N4	435.2602	435.26028	-0.50679266	435.25998	1196	1570	1809	1607	0	3595	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31208	0	0	0	0	0	0	0	0	1152	0	0	0	0	0	0	0	0	0	0	0	0	0	1445	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	213600	0	0	0	0	0	0	0	0	0	0	216972	42829	0	15341	0	0	0	2003	0	0	0	0	1029	0	0	0	0	0	0	0	Peptide	0.22727273	1.5454545	0.18181819
14	C22 H34 O5 N4	435.2602	435.26028	-0.37280473	435.26004	0	0	0	2018	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1876	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44057	0	0	0	0	0	0	0	0	0	0	230835	26969	0	8143	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22727273	1.5454545	0.18181819
12	C22 H34 O5 N4	435.2602	435.26053	-0.55965865	435.25995	2489	2828	3868	2719	0	2912	0	0	0	0	2237	0	0	0	0	0	0	0	0	0	0	0	0	0	1114	0	0	55294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2439	2245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	608649	0	0	0	0	0	0	0	0	0	0	368371	93044	0	31906	1983	0	5332	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22727273	1.5454545	0.18181819
18	C27 H39 O1 S1 Na1	435.2692	435.27017	0.60756665	435.26947	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27567	3536	0	1945	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14556	29769	0	0	0	0	0	Organosulfur	0.037037037	1.4444444	0.0
18	C25 H38 O6	435.2741	435.2746	-0.1985115	435.27402	8955	8183	10134	8005	6165	3812	22132	10154	5806	4043	4212	6249	5142	7458	10406	11576	35453	4080	9179	3657	5283	4623	6818	7589	10032	3588	19969	4207	13985	14046	12033	13324	13882	6325	6274	14014	9886	12885	41433	1329	2995	7534	0	0	0	2147	3591	0	13025	9307	11256	8032	8885	0	8795	8826	8713	12540	3683	9115	12888	2420	8617	8533	10439	9788	7694	39322	2785	4266	1840	4995	7256	19442	32762	15944	0	5565	17298	8032	10795	2350	8615	6950	14044	11672	20079	6975	8324	35159	7155	6662	11979	2566	4508	0	11495	9156	7440	18203	20253	13515	5541	2316	1994	9649	11541	0	15120	3961	Lipid	0.24	1.52	0.0
22	C29 H38 O3	435.28937	435.28967	-0.34482107	435.2892	7919	6024	4508	7831	4749	2741	13355	7414	3892	1889	3473	8474	0	0	5988	12312	36856	0	4308	0	0	1804	4871	3186	7907	0	13544	2376	5493	13882	5278	5274	7302	1773	1900	9698	3449	9227	40325	0	3418	3026	0	0	0	0	2283	0	6766	10088	8119	5248	4273	0	2531	6861	7783	6945	1906	7016	6443	0	0	3529	7058	2657	4361	46762	0	3544	0	0	3385	10115	20511	9294	0	3978	12934	4559	10921	1483	6123	1557	10184	8959	16028	4240	4940	36483	2409	4893	6649	0	1723	0	5365	5643	7251	15937	12984	9469	6860	2914	0	5983	14215	0	15568	2181	Phytochemical	0.10344828	1.3103448	0.0
12	C24 H43 O3 S1 Na1	435.29034	435.29062	0.34589905	435.2905	0	0	1951	0	0	0	4564	0	0	0	0	0	0	0	0	0	2301	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1772	0	0	0	0	0	0	0	0	1511	1381	0	2556	0	0	0	0	0	1573	0	12556	0	0	0	0	0	0	0	0	40988	0	2453	1214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2281	0	0	0	0	0	0	4530	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.125	1.7916666	0.0
24	C26 H42 O5	435.3105	435.31088	-0.26192966	435.3104	17743	15289	17819	15824	10294	7203	135314	11257	4852	5499	9686	11666	6385	23839	11218	23390	60011	5927	9526	4648	2102	5812	4643	3527	11832	15014	123665	14903	15345	27360	13545	24250	28941	11896	4078	26282	24650	10607	69550	2855	8284	5711	0	0	0	2712	7667	0	24952	13544	18571	19157	10398	0	7112	11354	6554	21781	4365	11090	19259	1982	11980	4990	21295	11661	23554	65282	4112	3901	9635	6180	12435	41838	40646	23690	0	11382	10419	12200	6521	11105	35162	42978	8190	15168	23967	7388	13179	28060	16689	11033	14648	3465	6848	0	15405	17862	9207	10314	13696	34234	9010	11501	6243	13269	8537	0	15163	4919	Lipid	0.1923077	1.6153846	0.0
24	C30 H42 O2	435.32574	435.32605	-0.2644703	435.32565	1793	2042	1786	3811	0	0	5542	0	1296	0	0	3127	0	1564	3570	2085	35470	0	0	0	0	0	3298	0	6931	0	6521	0	0	4503	2745	2250	1318	0	0	1757	0	6027	28732	0	0	0	0	0	0	0	0	0	1784	4566	3025	2102	0	0	0	2042	2868	4789	0	0	1632	0	0	0	3664	0	1175	30321	0	0	0	0	0	3801	9562	3590	0	2781	14580	12727	4910	0	0	0	2906	4991	23607	0	912	58540	0	0	8120	0	0	0	2191	0	2810	5932	4162	3783	2676	0	0	1346	4179	0	12788	0	Lipid	0.06666667	1.4	0.0
26	C27 H46 O4	435.3469	435.34708	-0.36516714	435.34674	3308	2575	2154	3064	0	0	95791	0	0	0	7300	0	0	17711	0	0	0	0	0	0	0	0	0	0	0	12948	104595	13637	0	0	0	0	0	0	0	0	0	2793	8064	0	3128	0	0	0	0	0	0	0	0	0	4123	2935	0	0	0	0	0	0	0	6954	8879	2660	3334	0	18815	0	2478	7360	7257	1574	2485	0	0	0	0	0	0	0	0	8176	0	5995	8415	13657	0	0	3062	0	0	3895	2739	2894	0	2139	0	0	3046	0	3141	0	0	0	0	6917	5903	0	0	0	0	0	Lipid	0.14814815	1.7037038	0.0
28	C27 H46 O4	435.3469	435.3473	-0.23514985	435.34677	5334	3744	3741	3489	1631	1380	163049	4431	0	1667	16000	3408	0	9905	2807	0	4659	2017	0	2022	0	1300	2281	2570	2173	17269	132433	13161	2138	0	1626	1390	1960	1937	1178	3788	1479	3746	4270	1764	3107	3588	1894	1249	3984	1994	5188	1194	2327	4894	4254	3613	1169	4284	2330	3102	3075	1968	5267	5336	9964	4433	3274	1258	11380	1862	4227	4474	15435	1292	1982	1234	2045	5318	2886	3075	3473	2105	2802	14573	2942	8443	4890	7425	2537	2863	5812	2241	2192	3492	4452	2762	2519	6668	2203	1643	5248	4126	5151	1964	2833	3460	3463	9105	10570	1393	2480	1980	1855	1910	Lipid	0.14814815	1.7037038	0.0
12	C26 H46 O3 N2	435.35812	435.3585	-0.31579706	435.35797	0	0	0	0	0	0	0	28734	0	0	0	0	0	0	0	5869	0	0	0	0	0	0	0	0	5144	0	0	0	0	0	32049	1788	0	0	0	2162	0	0	0	0	0	0	0	0	0	0	0	0	0	2079	0	0	0	0	0	0	0	1619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1631	0	0	0	0	0	0	0	0	0	0	0	1428	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.115384616	1.7692307	0.07692308
26	C18 H13 O12 N1	436.05106	436.05133	-0.4620035	436.05084	0	2565	2272	2691	3098	4382	0	0	4568	0	0	0	13520	0	0	0	0	8679	4522	0	0	3400	0	0	0	0	0	0	0	11400	0	4574	0	3162	0	5200	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1992	0	3284	0	7959	0	0	0	0	0	0	0	12146	5303	0	6080	0	0	0	0	0	6048	9713	21737	0	6475	0	0	0	0	2352	0	0	0	9232	0	1997	0	0	0	0	0	0	3088	0	0	3103	0	0	2911	0	0	0	0	0	0	0	0	0	12924	Phytochemical	0.6666667	0.7222222	0.055555556
18	C19 H17 O9 N1 S1	436.06967	436.07028	0.055914562	436.0697	2283	2828	3224	3857	3475	2938	1483	0	3888	5916	6670	0	7843	1681	0	0	0	2622	3789	5161	6593	22932	2066	2654	0	2198	2505	2474	0	0	0	0	1622	0	18599	0	0	0	2400	11517	11824	1788	0	0	0	5532	5599	0	0	1378	3141	3138	1641	0	2224	2762	0	2893	0	1077	0	6992	3824	3311	1622	4625	3264	1643	7077	4494	5433	0	0	0	0	0	0	0	1991	15895	1531	3496	2432	4517	1749	0	3272	1661	2690	0	7037	5643	0	20386	24069	0	3915	2528	1174	2313	2951	1531	0	0	4734	2603	1739	0	0	5321	Organosulfur	0.47368422	0.8947368	0.05263158
12	C19 H17 O11 N1	436.08743	436.08804	-0.09507758	436.0874	23277	33064	28798	22894	31175	12836	4170	8374	42240	55115	42050	8001	64037	11716	10173	7133	9237	40084	40375	39308	76263	97746	17428	9080	2630	4742	3448	10163	4063	3372	5760	7531	11804	4639	80021	3923	10297	11169	10073	40849	85242	14361	827	0	0	29430	96846	0	4122	3569	26227	20945	21900	0	51124	36156	16674	9363	13694	15515	0	36488	96769	39918	12641	46425	17003	11713	27247	7386	25267	4207	2962	4097	6849	4714	0	9867	15351	44685	12516	35054	4352	9532	43413	13012	15001	15483	16051	19861	4549	14606	23157	97535	56116	0	24224	28906	40216	38782	38543	13554	6771	7598	33656	12867	35170	0	5224	75875	Phytochemical	0.57894737	0.8947368	0.05263158
8	C19 H17 O11 N1	436.08743	436.08813	-0.024701182	436.08743	7496	5395	3582	5393	8555	2771	1484	1587	13171	9740	9625	1833	20104	2001	1004	2394	2803	7722	8759	6022	14419	16415	1901	1872	0	644	0	0	1059	0	968	956	1647	1076	15824	0	1645	1368	0	7432	18262	3183	0	0	0	5384	12365	0	1445	2209	5543	4112	4879	0	14123	11708	4074	2249	1575	3178	0	4399	29537	15760	3143	12275	4112	4128	0	1508	3407	0	1164	1234	0	1291	0	941	3240	3449	2276	4388	0	1690	13764	0	2025	4314	2620	4204	0	0	2658	17547	8673	0	5013	4649	9723	15870	11461	1983	1954	0	0	0	8615	0	1036	22583	Phytochemical	0.57894737	0.8947368	0.05263158
14	C19 H17 O11 N1	436.08743	436.088	-0.11129779	436.0874	27970	36423	36704	34870	42981	27691	8631	8686	55160	72574	52818	12289	88001	20270	11463	14910	15082	64395	57660	58228	94851	118478	22378	10488	3362	7087	6131	21461	5263	5494	6778	7996	13912	5836	108945	4482	13115	8229	12177	45639	105346	21505	0	0	0	49351	103327	0	9116	5177	28927	32645	28906	261	76311	52975	20248	11901	12693	16673	0	60241	105133	67564	20152	69040	25261	11753	16822	10483	27768	5949	3089	3840	7791	6670	0	10702	18718	76411	20526	44437	4652	15549	64506	21244	21731	20215	18817	28084	6613	19035	26204	142571	87156	0	31948	27376	46311	57004	55667	16197	11679	15117	58742	20265	39648	0	6073	90608	Phytochemical	0.57894737	0.8947368	0.05263158
18	C19 H17 O11 N1	436.08743	436.08792	-0.11797402	436.08737	39336	47870	47580	50928	71340	41962	9846	12544	83416	90530	43722	13446	165008	30858	27258	17036	8628	99064	79572	63202	109730	122840	37060	18356	9898	7646	8926	19458	0	11712	8612	0	28036	0	106430	4840	15376	25158	7952	71579	76189	33937	3316	0	608	82070	158110	1664	5236	4724	43872	49756	50460	0	107880	69423	30478	11486	16688	9656	14740	70339	162974	92228	36158	101386	40300	13124	33350	14589	35698	8746	0	0	7068	0	0	13674	31874	101790	21010	96448	9568	26228	104334	51904	37306	35148	31376	11202	11542	24864	34250	130484	143468	0	45910	48904	54316	64404	65690	23266	11810	14026	84830	21402	51960	744	12884	145722	Phytochemical	0.57894737	0.8947368	0.05263158
20	C19 H17 O11 N1	436.08743	436.08795	-0.12569226	436.08737	13887	10411	12911	13118	24419	11697	2594	2763	30549	14085	9447	3519	50591	9915	7727	2453	3831	27582	27793	13071	22259	31156	8716	4759	3458	1932	3795	3113	4245	0	2659	0	3654	0	18996	1675	8055	3982	2688	10787	24288	7123	1205	0	294	26489	48763	738	0	0	15367	14845	16439	351	31654	27670	11233	2850	5390	2695	8483	16353	43265	33027	8561	23538	7802	3461	7766	6887	6467	1318	2220	0	0	0	549	4956	11323	28232	9213	19609	2854	8439	31396	13820	9100	8185	9276	4923	3463	3703	10512	41576	38313	0	17848	13340	17361	23888	25284	3215	2504	4491	23486	4996	19643	0	2959	54261	Phytochemical	0.57894737	0.8947368	0.05263158
22	C19 H17 O11 N1	436.08743	436.08795	-0.06466484	436.0874	13022	16166	16208	11764	19236	13832	0	2592	24630	17516	5596	4118	62304	11148	5974	5700	5360	50254	25200	10382	24564	50628	5318	4190	0	0	2860	3858	0	0	0	0	8730	2916	20652	0	3812	3508	2662	11892	25902	5326	0	0	900	20620	54308	0	4782	2422	15260	16466	17598	878	36420	28754	8092	6456	2412	4654	3768	13888	47096	31726	11284	33606	11646	3062	9172	5668	5750	2816	0	0	2876	2494	1286	3262	11756	32059	11900	24552	0	2422	38618	17538	12456	4904	5554	5070	0	9700	9942	51944	49100	0	12834	8662	18224	22244	23524	0	4606	3220	30572	5808	24814	0	4308	62384	Phytochemical	0.57894737	0.8947368	0.05263158
16	C19 H17 O11 N1	436.08743	436.088	-0.096214995	436.0874	34120	31120	31283	37829	44190	25475	7425	7247	50383	58562	39807	10153	103087	19530	13922	10864	9338	63010	65660	45934	83651	91208	19392	11456	3086	4828	5390	12314	5657	5164	7408	2900	16342	4880	92060	4144	14465	10949	9177	51543	65171	15535	1764	0	0	51466	98608	593	6804	5582	30418	31220	29671	347	69845	51852	23788	9378	9147	11019	16456	46183	99944	55003	19648	54296	21867	10740	25091	9367	25632	3458	2779	2871	7141	3542	366	8528	30592	80876	19057	47437	4216	15299	57258	23103	26675	25082	17776	0	9112	16953	0	101312	94521	0	34081	38055	38973	51709	51912	15657	6880	12814	58811	19793	41896	0	6904	100139	Phytochemical	0.57894737	0.8947368	0.05263158
10	C19 H17 O11 N1	436.08743	436.0881	-0.036328852	436.08743	15919	16086	13125	16805	19341	6842	3529	2727	25285	22047	25303	5994	38769	4569	2764	5059	6394	22307	19671	22954	36686	35760	8527	3643	1562	1857	3304	3094	4000	2926	3537	0	4837	2431	43475	1350	6352	3093	5163	16937	46062	9181	0	0	0	13562	42860	0	2905	2796	14054	13552	15053	0	29309	24194	7286	4302	3918	6738	0	19201	51189	32127	7397	22045	11834	8602	12051	6789	12887	3981	1754	2201	3106	1319	0	3635	9754	13573	7136	14666	2462	4953	25391	7230	7949	8176	7817	13411	0	5162	9071	46651	31822	0	12053	15024	16826	27105	23690	9425	4228	3298	19104	6780	20014	0	1980	45492	Phytochemical	0.57894737	0.8947368	0.05263158
24	C19 H17 O11 N1	436.08743	436.08798	-0.0632201	436.0874	4234	2705	4035	5393	9222	5812	0	1876	7774	10643	2035	1125	20380	1093	1742	0	0	13656	9457	4159	7167	11082	3356	1389	0	0	0	0	0	0	0	0	0	911	7437	0	0	1101	0	2701	8083	1411	0	0	0	4073	16091	0	0	0	4414	3798	6151	0	13530	7333	2847	1716	1462	0	0	6982	16748	10703	2323	10630	3708	1793	1485	1864	3075	0	0	0	0	0	0	0	3937	8704	2621	7332	0	1788	11882	4687	3625	2402	3488	0	1658	2405	1679	13789	16483	0	4095	4948	4211	6438	9528	0	1139	0	10538	0	6275	0	1436	19777	Phytochemical	0.57894737	0.8947368	0.05263158
6	C19 H17 O11 N1	436.08743	436.0883	-0.008688471	436.08743	5444	1514	1378	3446	4790	0	0	0	7184	3562	4460	1362	12101	1002	0	0	0	6154	5220	4118	5342	4814	0	0	0	0	0	0	0	1186	0	0	0	0	6054	0	1948	0	0	0	5522	2507	0	0	0	0	6178	0	0	0	1770	2560	3024	0	8110	9653	2850	0	0	0	0	0	20032	8206	3626	7944	0	0	0	0	0	0	0	0	0	0	0	0	2272	0	0	958	766	0	7275	0	0	1298	2276	0	0	0	2944	4425	3470	0	3314	1888	4316	11428	8309	0	0	0	0	2038	4194	0	0	15946	Phytochemical	0.57894737	0.8947368	0.05263158
8	C18 H17 O10 N3	436.09866	436.09937	-0.042135455	436.09866	10956	5868	6796	6610	13606	2596	0	2656	11242	5442	3974	2102	18602	0	2432	3468	2966	9472	11298	0	16216	12732	3838	5434	1712	0	0	0	2146	1630	2098	1718	4120	0	12282	1650	4450	3298	5387	10552	11652	3088	0	0	0	4274	14216	0	2628	2342	7870	6974	5756	0	17602	11460	5216	0	0	2830	0	5976	42146	12250	4702	14348	5208	3978	0	0	0	0	0	1772	1306	1802	0	2340	4344	0	2560	5598	0	0	13030	0	4418	6280	6526	9904	0	0	9370	12996	9248	0	6726	8368	6658	13754	7474	6810	0	0	0	4712	5794	0	0	33636	Peptide	0.5555556	0.9444444	0.16666667
16	C23 H17 O8 N1	436.1027	436.10318	-0.11963273	436.10263	2580	2267	1787	0	2734	2017	0	0	2852	10713	11183	0	0	1038	1794	0	0	0	2118	11248	7555	4764	0	0	0	20871	1291	5948	0	0	0	0	0	0	17788	0	0	0	0	5892	10855	1439	0	0	0	3116	9740	0	0	0	3750	1796	0	0	0	0	1072	0	0	0	0	3600	4966	0	1291	1686	0	0	14999	30985	28740	0	0	0	0	0	0	993	0	5811	0	3360	0	5483	2557	2515	1730	1161	1411	0	0	0	0	8568	7657	0	0	1938	3314	2380	1320	0	0	0	0	0	0	0	0	4456	Phytochemical	0.3478261	0.73913044	0.04347826
22	C23 H17 O8 N1	436.1027	436.10315	-0.1692564	436.10263	3851	1808	3436	3947	3211	1425	0	0	3130	14974	9166	0	0	0	1736	0	2087	0	3484	5222	11156	12223	1264	0	1437	15193	0	5377	0	0	0	0	0	1137	20603	0	0	1090	1589	8990	14820	2190	0	0	0	7994	20705	0	1607	0	3960	3962	2566	0	2852	2172	1167	1516	1627	2297	1893	5556	4110	3440	1572	4335	3230	3031	16717	18176	26654	0	0	0	0	0	0	0	2150	10612	2377	8503	1090	6698	2786	1454	3795	2214	1957	1907	4266	3441	1889	18529	12854	0	3928	3735	2615	3100	2653	0	0	1573	6888	2418	3726	0	1230	3062	Phytochemical	0.3478261	0.73913044	0.04347826
18	C23 H17 O8 N1	436.1027	436.10318	-0.13894041	436.10263	5013	4694	3458	4933	3421	0	0	0	2267	18620	15455	0	1854	1651	0	0	0	3250	4357	9877	12926	10539	0	1676	0	23952	1452	10673	0	0	0	0	0	0	17582	0	1751	0	2810	12221	12547	1953	0	0	0	6331	13813	0	0	0	5844	3158	3275	0	3511	2414	1271	3384	0	1876	1756	6296	5072	2391	2161	5571	2699	2189	23754	30500	49659	0	0	0	0	0	0	1301	2723	12790	2059	7679	2557	7468	3808	1772	3539	2210	0	3952	0	0	0	17871	13424	0	2912	2733	2567	3668	4008	2756	0	1765	6363	0	2845	581	1428	2818	Phytochemical	0.3478261	0.73913044	0.04347826
20	C23 H17 O8 N1	436.1027	436.10312	-0.21971408	436.1026	3765	3984	4913	3767	5419	2048	0	0	4004	20105	15781	1225	3927	2074	0	0	2514	3255	3846	9627	14065	11192	0	0	0	22934	0	8874	0	0	0	0	1802	0	19242	0	0	1351	0	14891	18386	1725	0	0	0	11623	23719	0	0	0	5642	5745	2548	0	4701	2335	1616	1764	0	3848	3206	3524	3796	3015	1558	3396	2828	0	24014	21870	46546	0	0	0	0	1885	0	0	2765	11829	2481	9099	1821	7602	3533	2442	3699	2574	1312	3933	3186	2302	0	16876	13531	0	3385	3793	4867	4612	2553	0	0	2445	7122	0	2795	0	0	3920	Phytochemical	0.3478261	0.73913044	0.04347826
12	C16 H21 O13 N1	436.10855	436.10916	-0.13494705	436.10852	5462	4551	6297	6478	21601	8889	0	5777	34734	16921	9864	3490	48269	7525	5366	1551	3314	25244	30593	15540	43387	23529	6722	0	1304	7388	0	0	3197	1164	2265	0	4291	0	34401	2128	5705	5884	4695	13369	21037	12390	0	0	0	28404	53044	0	3415	0	9720	11068	13239	0	39789	31175	9233	2375	0	0	0	10963	55040	30773	9211	26688	9928	0	0	10760	21303	1260	1723	0	2339	2932	0	1910	9303	0	5696	28452	3367	10229	23793	7937	4458	6771	6771	7265	7131	5490	11124	15166	40029	0	5379	7016	19430	25035	26293	5613	2659	0	0	7371	24510	0	3516	59142	Phytochemical	0.8125	1.3125	0.0625
16	C20 H21 O10 N1	436.1238	436.12436	-0.099994235	436.12378	134754	136009	138589	140094	132821	95102	51159	90785	139605	422031	172723	54234	241666	67821	79975	87967	61484	210461	199922	315044	363645	325557	94463	99913	63025	127219	46190	121643	63590	52789	72277	77190	105160	69566	540774	67028	103742	64556	59842	286548	229738	75438	4878	627	628	259767	333879	801	71670	76000	144936	143675	99999	892	183400	126291	62988	97135	95052	57458	96978	212200	240799	136196	56244	149248	84998	54631	198029	191551	203203	79123	56893	50351	55690	65703	839	59145	93327	198973	71761	203547	59642	144559	138627	79057	94967	74697	83131	100920	96033	134347	144099	257976	305430	1447	143237	147680	106444	96653	106310	93692	49124	97423	218105	87879	112962	864	57381	225937	Phytochemical	0.5	1.05	0.05
6	C20 H21 O10 N1	436.1238	436.1245	-0.13523014	436.12375	18877	18943	14602	17080	13165	6276	5248	9576	20282	41745	29804	8017	33418	5801	8745	10903	9942	16533	23385	24305	44782	28872	11621	13090	2475	7205	4379	12023	5597	7491	8781	8278	12524	7881	56671	9814	9352	6511	13718	19488	38956	8237	0	0	0	16262	40624	0	11772	10750	16016	18073	9397	0	21357	16891	8588	9660	7566	12771	14085	15248	38096	22862	7359	23463	11282	13696	18505	13997	21931	8171	7782	5484	4596	6807	0	5201	10355	9912	7864	13690	4969	8972	22658	7446	11669	10779	10008	20243	5685	8689	14641	28654	25365	0	18332	12749	14586	22118	22467	10274	8548	13612	21098	12003	15416	0	4882	34413	Phytochemical	0.5	1.05	0.05
20	C20 H21 O10 N1	436.1238	436.12427	-0.18987471	436.12375	58175	56458	49648	52506	57223	47521	27879	40980	66499	143105	56840	24069	113447	28376	39601	39212	20740	83534	79208	100364	110701	113282	36300	41888	35289	54398	22971	36752	27229	26237	32661	17499	33708	20533	162429	25325	50403	34418	17734	105277	73184	35747	3174	906	572	120392	140820	1055	21228	26050	57078	59128	51443	881	89238	53767	35396	39510	34506	21366	37928	76132	99360	62032	30102	72053	34849	19956	69184	76526	82543	18973	21036	19980	24683	22195	862	29108	42673	73413	36583	81005	26095	65634	65655	37970	38766	34653	29204	21425	38040	44496	55554	99993	111649	788	49881	63409	42420	45168	54741	34785	26295	39642	87332	28796	49680	1154	29121	93663	Phytochemical	0.5	1.05	0.05
14	C20 H21 O10 N1	436.1238	436.1244	-0.10173802	436.12378	171679	161038	145949	161637	116038	95018	74148	98686	149937	450885	231424	66850	229116	67394	86760	95958	66520	183353	173886	342494	404530	374123	96840	122041	55691	146906	51610	178976	74800	79066	78261	95686	109372	72217	621768	84545	101837	73228	74751	308860	272019	81050	0	416	313	287821	367629	361	77505	79714	151217	138760	91900	505	196553	113753	63093	109101	119774	80882	112816	257958	240375	169045	61041	146159	98210	70374	230935	215420	212757	81532	73531	65141	57306	72672	339	68473	90592	210936	84275	208321	62018	153416	125014	91123	84885	73721	83739	117968	94651	136767	150936	283574	306451	530	161076	171156	103206	110088	104378	103264	64361	140466	317810	97967	110623	389	57428	215890	Phytochemical	0.5	1.05	0.05
26	C20 H21 O10 N1	436.1238	436.12418	-0.17477597	436.12375	6275	3768	4019	5635	9014	4122	0	0	9967	21283	4207	0	16416	0	0	0	0	13143	13834	14965	20270	12028	0	0	0	4975	0	3543	0	0	2355	0	3679	3371	18769	0	4316	3103	0	11384	11812	0	0	0	0	14340	20270	0	3450	0	6448	5027	6878	0	10296	0	0	0	3268	0	0	6139	18084	6919	3723	8422	4979	0	7670	14146	13815	0	0	0	0	2436	0	3408	5300	10889	3351	7442	0	4816	10483	0	3245	4064	3673	1461	1878	4179	4964	6597	23235	0	8691	6206	5859	7547	0	4450	0	0	10112	1450	0	0	2722	19599	Phytochemical	0.5	1.05	0.05
10	C20 H21 O10 N1	436.1238	436.12442	-0.101622015	436.12378	98201	90428	79857	76976	59734	37394	29160	55033	87021	230369	132503	44952	120330	32956	46256	59712	54611	94819	91380	173335	215695	172924	55030	67768	21455	59601	37564	71967	45526	41839	46450	50422	71766	48064	307908	44554	63588	41406	60032	164743	207532	40971	1790	0	0	137311	207550	0	50415	54080	96138	89517	51090	0	108297	64818	31403	61021	50593	59779	70119	124487	121249	84500	35100	80538	46470	63037	119675	102871	145595	52669	42578	43530	40027	40433	0	35562	60947	83339	50491	105672	37137	64905	68199	38417	51793	42322	44079	65444	48514	65910	77557	141547	150759	0	85515	91879	65956	64166	56543	68068	39405	67456	166585	57202	61688	0	33948	124585	Phytochemical	0.5	1.05	0.05
24	C20 H21 O10 N1	436.1238	436.12424	-0.15186527	436.12375	10681	9917	8295	9974	14227	9057	1429	4252	14644	30569	7237	2237	23007	4660	3636	2912	2193	17117	11294	13947	21987	15480	8055	5200	3215	8436	1377	4772	0	1822	2852	0	4062	1543	29820	2128	4079	3102	2786	14712	16652	2907	0	0	0	20764	32804	0	2342	3676	6257	7248	9172	0	18051	13367	4934	5872	4324	3950	3607	11362	24596	12004	5618	11683	5021	0	15776	17818	13788	3608	1513	1719	1977	2109	0	2352	6278	12732	6563	13552	2314	11027	16855	9967	4109	2522	4384	3183	3200	6307	5772	18203	21872	0	8365	13393	8420	10298	7792	2888	2464	3648	19007	5195	10165	0	3519	28330	Phytochemical	0.5	1.05	0.05
22	C20 H21 O10 N1	436.1238	436.1243	-0.16212513	436.12375	20935	18366	20738	23136	30277	17738	9523	11131	25733	57658	17686	6711	49579	10297	10823	10661	6709	38631	25706	36612	42631	46633	16493	11322	12074	18669	8946	7612	11033	7861	6874	4591	10578	9273	43899	7518	17763	15324	3794	27614	25385	11604	0	0	503	53270	67379	0	7466	4343	21324	21593	19441	592	37541	25223	12619	8234	10806	7025	9042	31541	44756	29932	14306	24785	15304	6287	26999	40602	32451	6817	6014	4317	6326	4324	1150	7725	19759	27959	14013	37826	5321	18688	34733	17730	17473	12206	11540	9033	10652	10162	21298	35359	60902	0	20246	17856	20227	24756	24461	12694	6930	11550	45516	11481	19609	0	10753	48468	Phytochemical	0.5	1.05	0.05
14	C19 H21 O9 N3	436.13507	436.1355	-0.14337659	436.13498	17216	14340	0	21629	13108	11895	12002	0	13630	16862	8281	16044	17320	5933	0	20605	20984	18994	20289	18768	19456	39523	19832	23414	17947	0	15324	0	15219	13368	14369	25903	22863	16438	22199	14777	20918	0	31062	22329	21492	11216	0	0	0	25897	24234	0	18283	16933	25711	19636	13008	0	19531	9947	8573	26530	18887	11231	25551	19193	18155	16554	12117	12334	16404	24019	0	6512	7038	14582	15227	8018	12558	13298	0	0	23675	18145	15401	17359	11954	9591	14581	10065	25891	16282	17533	36889	16818	20586	38511	18244	18004	0	0	18320	10098	9587	9176	25362	14335	25210	0	23112	9705	0	16574	21415	Peptide	0.47368422	1.1052631	0.15789473
8	C19 H21 O9 N3	436.13507	436.13568	-0.15066122	436.13498	44250	47772	36488	39375	26602	18239	18878	50196	0	48326	32253	33923	37230	9803	28834	46103	44126	34919	45629	47084	49154	74974	37757	52420	18348	3283	21672	15111	36944	32704	32453	38535	46033	30948	62032	31931	43898	26489	51593	55165	68747	0	0	0	0	55388	76457	0	44112	37631	42119	45239	25029	0	43765	0	20500	37844	36604	43134	46550	45414	52357	35901	20516	0	27362	59938	9202	14356	19089	38791	33865	30613	29210	31145	0	27269	36274	28076	29789	31193	22121	19803	0	18698	35107	34009	32203	68079	24606	45746	75599	40753	45489	0	45449	43727	20698	0	27793	41428	31175	44019	38523	45968	21383	0	20888	0	Peptide	0.47368422	1.1052631	0.15789473
6	C19 H21 O9 N3	436.13507	436.13574	-0.17141251	436.13498	48660	62119	45590	56392	31980	21140	27274	52318	41750	53946	44032	38018	57225	14316	38170	70760	53900	47588	57794	47546	81992	89782	46394	69940	16644	6716	22150	17912	39714	42384	46220	44920	53956	41104	87677	40974	52334	35452	68846	57450	100788	29844	0	0	0	54376	102532	0	53030	46994	52654	45812	32634	0	55666	28196	28536	48918	35094	56282	61764	44022	70502	46256	25548	44766	40732	77768	20050	17760	26020	39242	43550	38890	30800	36154	0	30034	41646	15372	34312	34028	21413	21310	42512	26412	43611	48208	39570	91126	29168	45792	99197	57486	53002	0	58736	54546	25632	36622	40890	55452	37862	60758	47614	54334	25172	0	24004	70624	Peptide	0.47368422	1.1052631	0.15789473
12	C19 H21 O9 N3	436.13507	436.13556	-0.17846589	436.13498	28655	40383	33172	32085	18603	17848	24910	0	24243	28667	14529	24272	54256	9212	0	27431	41780	28041	37964	32096	35622	60659	32240	43075	22360	4517	19423	12746	28512	0	30733	27803	41419	23700	41221	29455	36137	28792	40661	47839	58348	21234	637	0	0	52053	51838	0	30510	0	29079	27534	20470	0	31351	14992	16929	49653	32388	31330	29125	41794	37818	28507	0	31801	22767	46966	0	11599	22225	26684	23240	25436	25598	26367	0	0	0	18402	29911	25821	21171	18726	20014	15645	33591	0	0	74294	20408	42708	0	28014	20906	0	26248	36270	21789	16897	15520	0	24244	26647	39907	39867	18332	0	26902	45332	Peptide	0.47368422	1.1052631	0.15789473
10	C19 H21 O9 N3	436.13507	436.13565	-0.15181756	436.13498	44647	45328	37857	43625	27318	22105	25984	46432	29892	43836	28330	36882	39098	15545	0	48690	45448	0	0	47507	52517	74443	44881	52494	24547	4511	25144	16432	38345	39707	39061	42121	50548	30803	63460	34843	57224	34704	52875	61264	67356	27917	0	0	0	48576	71308	0	38914	43947	44256	43649	22874	0	39800	20511	20060	52767	51209	42967	43683	48254	43168	0	0	38156	28158	61713	17851	18212	23024	40786	36183	36811	27860	31867	0	28711	36398	33934	31164	37454	29332	18616	25765	20070	38766	0	29442	62864	28224	49858	76124	37752	41558	0	45585	44695	17951	16906	25736	51899	31561	57705	62020	49447	19158	0	28221	44320	Peptide	0.47368422	1.1052631	0.15789473
24	C24 H21 O7 N1	436.13907	436.13943	-0.19099164	436.139	2398	995	1659	3385	1011	0	0	0	0	3648	8597	0	0	0	0	0	0	1854	0	4962	4501	4387	0	0	0	9998	1098	8930	1267	0	0	0	1205	0	5798	0	0	0	0	6190	12073	1828	0	0	0	6130	14076	0	0	0	1717	1418	1788	0	0	0	854	1042	0	1152	0	6052	1576	0	0	1377	1083	0	16280	9190	23906	0	0	0	0	1068	0	0	0	8419	1626	5306	0	4034	1299	0	0	0	0	0	0	2629	1425	7662	6435	0	2427	0	1613	3129	0	2393	0	1214	6273	0	0	0	2096	1226	Phytochemical	0.29166666	0.875	0.041666668
12	C24 H21 O7 N1	436.13907	436.1397	-0.15793039	436.139	0	0	0	0	0	0	0	0	0	3393	4460	0	0	867	1514	0	0	0	0	5369	8030	0	1927	0	0	13899	0	0	0	0	1064	0	0	0	10222	0	0	1264	1700	4342	0	0	0	0	0	4865	6970	0	0	0	0	0	879	0	0	1145	0	0	0	0	0	0	0	1731	0	0	0	0	0	16843	25380	0	0	0	0	0	0	0	1889	0	0	1923	0	3704	0	0	1668	0	0	0	0	0	4295	0	2431	0	0	0	0	0	1272	0	0	0	0	0	0	0	0	0	Phytochemical	0.29166666	0.875	0.041666668
22	C24 H21 O7 N1	436.13907	436.1396	-0.13162962	436.139	4817	5131	3195	2999	2237	1760	1315	1956	1730	15239	21972	1479	0	0	0	0	4176	4172	2700	10854	14487	9979	1536	1729	1539	39662	0	15571	1746	1781	1624	0	0	0	12338	1996	2946	0	2718	14577	23228	3713	0	0	0	13322	20150	0	1275	1342	4244	3957	4509	0	2384	3166	1931	1929	1623	2533	1255	11603	3547	1577	0	4679	1719	1868	35900	30311	61253	1276	0	0	1151	0	0	0	2389	7381	2269	10183	1316	11702	1778	1788	4359	4008	1674	5676	2255	4202	3076	14924	12726	0	4000	5419	2845	3038	1726	1452	0	2686	6394	0	2145	0	1811	3657	Phytochemical	0.29166666	0.875	0.041666668
14	C17 H25 O12 N1	436.14496	436.14548	-0.23081012	436.14484	42737	58314	56625	43596	38068	33725	10135	20705	85790	66840	51420	16154	145002	16492	42820	49305	31162	98445	82050	80174	72442	110043	45130	33909	35535	34056	27365	12335	27890	43770	23674	16019	35952	22544	116229	18835	23889	18015	38553	65234	21250	39648	0	0	0	73478	54556	0	23838	19694	33163	55987	41543	0	176081	63309	26980	54093	28093	22126	0	69269	116438	94974	23522	57841	40992	13796	0	63898	55374	24524	33954	19496	19578	20646	0	23177	29450	0	20838	53176	32265	30254	49256	29537	24720	19913	24360	17642	20159	62994	81114	70624	75126	0	35594	50162	49418	43494	54739	35828	18592	64444	25885	30578	43987	0	30388	109031	Unclassified	0.7058824	1.4705882	0.05882353
12	C17 H25 O12 N1	436.14496	436.14545	-0.2849033	436.14484	33131	34435	56438	19459	43269	34314	13637	38951	71781	74642	50336	16680	103519	14622	33158	23368	39179	78178	82935	90041	74694	63941	43257	0	23563	26036	13857	11779	37125	23445	34778	29496	42928	26498	83410	27807	34141	27227	18026	35429	50530	43553	635	0	0	39052	64609	0	27915	19230	26502	38309	46019	0	129629	68297	25408	51505	40463	17711	0	70110	112241	89814	23332	71700	33305	15221	0	66494	55186	27546	28585	27392	25546	21349	0	21874	26563	27450	31370	35146	19663	19798	51585	29848	30259	19491	30374	23155	21994	38988	49414	59941	39255	0	35753	34981	45411	42449	47872	49900	40219	18401	0	36169	56397	0	20148	105968	Unclassified	0.7058824	1.4705882	0.05882353
24	C17 H25 O12 N1	436.14496	436.14465	-0.51891917	436.1447	2339	958	1009	1310	1287	1188	0	0	2117	5397	8196	0	2826	1203	2308	0	2896	1944	1455	2095	3545	2506	0	0	0	16506	0	6328	0	0	0	0	2942	1281	3876	0	3057	2902	1056	0	6124	0	0	0	0	3407	4639	0	0	0	2424	1828	1319	0	0	2726	818	0	0	0	0	3891	0	1107	0	2839	2577	0	17047	10089	21275	0	0	0	5653	0	0	2408	2116	3907	1329	2483	1014	2982	1955	0	1484	1559	0	0	0	1453	1648	4379	2043	0	2935	1258	1685	1416	2680	0	0	0	0	1245	0	0	1691	1528	Unclassified	0.7058824	1.4705882	0.05882353
28	C21 H25 O9 N1	436.16022	436.16064	-0.23295696	436.1601	7294	6547	7104	5552	4952	5727	1649	5302	4663	17439	4532	2780	8372	2208	2141	4646	3855	8165	6876	13592	17776	8247	4925	6598	4304	13586	2250	6485	2638	2671	3058	2337	3229	5537	18606	3833	3503	2358	2898	8764	8962	3342	0	0	0	9423	9885	0	3760	4266	5550	5803	3585	0	6929	3679	2801	5377	2102	1970	5148	7211	7717	5641	2151	6203	3449	2398	15830	19818	22409	3849	2596	2784	2872	3003	0	2601	4541	3921	3486	4025	3305	5592	6038	2943	3772	1962	2618	4308	5932	5983	5306	5518	8291	0	6611	5919	3996	3335	6268	4228	3101	5140	4983	3281	3758	0	2058	9984	Phytochemical	0.42857143	1.1904762	0.04761905
10	C21 H25 O9 N1	436.16022	436.16077	-0.1380714	436.16016	125227	136748	123014	112705	65325	58665	67519	118902	86053	316517	132995	146310	118667	41827	155488	112710	81770	94462	112197	271969	269135	211090	178526	127774	62688	142152	63039	105090	209448	97435	89783	109300	121421	98202	401197	99977	117168	135172	89263	216391	199605	55086	2087	0	0	172327	332708	0	112107	99284	132337	278288	118876	0	112026	63568	41719	114400	113567	96630	127547	138345	112520	91168	42757	93579	70693	104472	168718	186986	180126	111088	180516	101025	77846	189444	0	70378	87859	98732	80381	105113	154970	104018	70761	50407	81789	51629	59060	117730	96509	127360	164431	115872	356062	566	241974	254778	68698	68082	60059	113218	119650	148599	116217	100746	57053	0	144352	112708	Phytochemical	0.42857143	1.1904762	0.04761905
26	C21 H25 O9 N1	436.16022	436.16058	-0.22408749	436.1601	7648	12122	9816	10962	9339	9989	2467	0	11256	25322	9103	3023	17441	5967	0	0	0	12605	10315	24943	30403	14224	5620	11162	0	19495	1894	6556	6605	0	4557	5967	3633	5752	26347	0	5077	2643	3316	15434	16442	0	0	0	0	13492	21193	0	5092	0	8664	6600	6431	0	12848	7203	3486	4962	3408	3591	9085	9002	12833	8440	2802	11831	4660	3364	24490	35709	36136	6524	5987	0	0	3677	0	0	6259	5805	5633	8513	4077	9368	10307	0	4774	4186	5193	5028	4629	6062	5407	9924	16104	0	6855	9071	5430	6659	6884	0	2764	5596	0	3344	7889	0	3514	21075	Phytochemical	0.42857143	1.1904762	0.04761905
4	C21 H25 O9 N1	436.16022	436.16095	-0.12917915	436.16016	7583	11456	9449	6669	7917	5585	3612	6967	9948	18076	13102	5496	15015	5071	5544	8360	8174	10380	11512	13756	20871	17387	8133	9934	3050	6512	4089	6663	5933	6249	4727	6775	8318	4696	25765	6138	6392	5468	10093	11385	14907	4144	0	0	0	11239	17271	0	6172	7465	8497	8287	5813	0	11147	9463	4743	8128	5742	8926	8599	8546	14418	10951	4991	10595	5158	9478	9104	7013	10846	6080	5573	7102	2655	4955	0	5448	6934	7854	6173	7325	5612	6924	9549	5442	5590	4559	5001	19412	5836	9691	13591	10704	14077	0	8914	10485	9063	10788	9697	7884	4934	9177	9457	6865	8407	0	4246	13008	Phytochemical	0.42857143	1.1904762	0.04761905
12	C21 H25 O9 N1	436.16022	436.1608	-0.13184853	436.16016	186579	189723	204089	198732	105913	93355	131276	220214	138527	464462	235702	118509	132959	59915	148361	157924	154706	153245	193399	457222	463137	342163	148168	212106	116166	243908	96055	230742	174245	150616	337772	164953	204332	147164	632728	166139	173686	127995	158741	383519	341418	99222	3253	335	272	287382	298545	0	322640	353830	200682	195430	95243	769	187483	96639	67365	171246	211740	195069	178944	260856	191449	134408	55667	138516	110802	169852	289728	380742	342342	172475	155412	165323	118354	288670	263	121545	128276	160192	128027	188946	135058	210900	117471	86359	130368	76278	103801	222046	166264	222936	234867	215193	235330	1053	205680	230927	106718	83338	88596	175461	118909	227914	217849	162868	98355	0	247984	185708	Phytochemical	0.42857143	1.1904762	0.04761905
14	C21 H25 O9 N1	436.16022	436.1608	-0.088331185	436.16016	311099	280253	281461	283636	167047	152288	174841	305742	209023	713337	337246	158291	263758	108264	207343	267149	192073	266508	258411	671656	669254	494602	220470	303728	211428	456166	143282	309466	247951	242309	236277	273967	299240	209883	893555	251453	263971	170538	187620	572106	414427	151108	6829	485	437	419332	385410	616	248288	263795	276166	258155	149153	1046	262226	145372	105175	281726	352877	211133	349501	380154	245660	190006	101786	182812	175765	184811	437860	635368	455359	256808	238070	272237	174211	223820	310	189830	188454	253371	175363	258684	199342	305255	180040	128508	172392	154187	167206	250005	266706	289472	368730	263393	405502	1955	281393	296927	132881	135920	139610	269146	168393	368082	343253	242931	136574	510	160728	241858	Phytochemical	0.42857143	1.1904762	0.04761905
14	C20 H25 O8 N3	436.17145	436.17184	-0.20422721	436.17136	108177	132178	128361	129613	49734	57738	123273	190698	51333	82317	62079	75654	66495	25758	0	150981	127653	135426	104040	206992	154286	237063	132285	0	1673	40145	94917	63813	123456	127140	130902	136584	181366	153516	120639	136503	144775	117921	128079	131855	97584	82532	0	0	0	113562	84942	0	138261	117033	91907	1688	64305	0	96360	0	40173	177681	245154	100263	176928	109928	106848	58638	51651	86190	75535	2101	14463	74924	55366	154045	98703	118773	110061	249426	0	125709	1947	119256	107382	136692	106230	73210	47760	58770	136605	82725	0	235716	202452	378150	324888	65907	116863	0	118155	250680	37494	33378	30231	173655	101196	209481	65364	170151	46086	0	118062	68715	Peptide	0.4	1.25	0.15
16	C20 H25 O8 N3	436.17145	436.17184	-0.22264417	436.17136	20758	23153	20243	15164	12046	12025	0	18295	7749	17251	7181	15053	25760	6336	23170	25277	0	22592	35214	17729	13437	24917	20533	29225	23736	0	14226	13626	22509	22889	24694	25911	27103	19720	15093	49130	27313	15037	22153	12236	10894	12080	0	0	0	13525	9049	0	25236	19846	18897	14906	12981	0	15434	3897	9023	30528	23563	11784	26192	9230	10029	10838	6879	15278	15148	26435	0	8352	0	16144	19348	17191	16524	17060	0	14594	21126	15548	14997	11879	12453	9844	6264	9732	24452	16312	13180	44655	29800	38531	66594	7307	16504	0	19271	20720	7237	7155	14908	30523	17812	24035	11892	33088	9926	0	24615	17436	Peptide	0.4	1.25	0.15
18	C25 H25 O6 N1	436.17548	436.17587	-0.23960023	436.17535	4243	3862	2728	2888	2828	1964	0	0	2540	8883	11349	0	1552	1974	1593	2585	3111	0	3025	14614	7725	1709	1987	3615	0	32600	0	22571	0	0	0	0	2027	0	3204	0	1856	1095	2933	6288	17840	2455	0	0	0	5359	6724	0	2429	0	3406	3898	2775	0	0	1460	1779	3006	0	3268	2939	4742	0	1724	1208	0	2633	0	30338	24643	51811	0	0	0	2513	0	0	1402	2161	6478	1819	1933	0	7811	1915	0	3946	2805	1618	11157	3042	3293	4808	4243	3728	0	3016	0	1888	0	0	2768	0	3337	2493	2077	1799	0	1659	0	Phytochemical	0.24	1.0	0.04
6	C17 H29 O10 N3	436.19257	436.19366	0.13052541	436.19263	7851	3903	3903	3990	4002	3498	5805	5226	2022	0	0	3456	1494	0	1309	7509	1206	868	3525	0	0	6516	6606	7773	12693	0	4077	0	7284	4065	7947	0	9939	1969	2697	8559	5385	5541	8635	0	1779	2187	0	0	0	0	0	0	4953	0	6486	6135	735	0	4842	707	0	4872	2976	0	0	0	0	0	0	1204	0	13116	0	0	0	6375	4518	1724	0	0	0	8793	5187	37311	0	0	4092	0	718	0	7062	3084	5070	6885	27765	16356	12984	5652	4347	0	5568	5361	1929	0	3858	13878	5466	6168	0	6459	1677	0	7644	3789	Peptide	0.5882353	1.7058823	0.1764706
22	C22 H29 O8 N1	436.1966	436.197	-0.18939488	436.1965	283530	273688	260804	265816	267474	217698	107442	247284	269412	624910	294720	137096	353092	149566	195250	234308	159566	357526	325556	671460	644922	321924	239224	292562	192806	568076	99178	265034	235818	203990	220274	197162	215698	240030	642554	228698	278932	156274	139886	416072	281102	166440	10622	0	1680	374118	318246	0	225446	209274	284708	273032	211810	1776	278824	233546	142924	0	181748	124258	253848	304434	299944	236600	121956	279338	192720	135878	479124	841998	684500	277744	198808	211642	144984	0	1082	166326	187198	150788	178500	194870	152826	252456	274806	162730	192676	171380	184082	182424	238896	307474	333669	185400	337122	0	239154	275510	197000	212712	207694	250620	139788	273904	211598	235230	202856	0	164282	358596	Phytochemical	0.36363637	1.3181819	0.045454547
28	C22 H29 O8 N1	436.1966	436.19702	-0.21554933	436.1965	8694	5901	7638	5022	8803	5814	3478	7549	5366	17555	6527	3114	12538	4294	5334	8029	5051	9439	11540	12391	19728	6737	5609	10248	2977	22719	3076	6563	7688	3988	5045	5178	7395	6418	16560	7164	7622	3043	5373	10594	10680	4480	0	0	0	5465	7084	0	7526	5992	7902	6360	7219	0	7663	5854	2364	8035	2771	2248	8997	5811	7555	6176	2578	9524	5247	4112	17779	32688	29574	6973	5919	6495	6170	4024	0	4430	5304	3404	4144	3610	5379	7418	8011	2820	7433	4792	5139	7174	6934	7964	12152	3869	4535	0	7231	8119	3652	4868	5560	7533	3949	6797	3580	6760	2896	0	4886	11068	Phytochemical	0.36363637	1.3181819	0.045454547
4	C22 H29 O8 N1	436.1966	436.19736	-0.07700994	436.19656	28774	24835	24808	26070	4473	19336	19619	23876	6552	16817	10871	23690	9420	3245	16356	58250	22685	8795	12783	18596	20622	41478	41004	74212	16790	9091	16623	6544	15038	22261	16413	19012	19725	14572	23250	18049	16358	37148	33744	14932	14112	9492	0	0	0	15738	14291	0	21226	20076	23009	26011	6983	0	11545	6059	7837	67855	7070	8243	58746	8714	6600	8732	6618	8366	9004	41852	9662	15750	13752	22812	17596	19453	18456	18998	0	20333	39746	10573	33197	7038	8375	9692	6827	6328	64395	16213	17212	242297	20765	16721	211594	12745	19685	0	24991	36612	5989	7546	7496	20049	24462	23221	9294	46285	4313	0	46314	7360	Phytochemical	0.36363637	1.3181819	0.045454547
14	C21 H29 O7 N3	436.20782	436.2084	-0.18492405	436.20773	153622	171858	146590	146044	80096	74574	80904	180206	97822	143519	86326	109542	68776	45482	161538	212066	186480	82358	121044	172424	167956	204164	140476	216478	159092	127008	130694	74238	156664	70151	151204	162202	132044	127480	131285	171904	126800	120376	194688	125440	141634	102440	0	0	0	147696	115560	0	157808	164796	152760	129644	78486	0	93396	63084	86476	104688	194640	137218	122366	91342	88359	102984	61760	85962	88528	196075	84830	151063	167789	137620	132388	229930	177902	143768	0	122234	163764	42946	146716	97670	133480	118717	76958	61172	168276	104416	91858	279138	236858	220758	104132	94270	111058	0	69188	71360	64218	70819	73976	185728	125632	197804	48844	153558	74012	0	76098	90590	Peptide	0.33333334	1.3809524	0.14285715
12	C21 H29 O7 N3	436.20782	436.2083	-0.24645002	436.20773	24239	23317	25551	19581	5878	10052	28015	36640	10047	20036	8905	16111	5133	4736	23944	21785	26540	11572	15239	30597	20395	43906	23747	30589	35849	5562	17883	17418	34848	21271	25576	25786	39480	28895	21753	0	30861	0	34954	33315	25907	12975	0	0	0	38004	18874	0	36310	27837	23291	15518	8488	0	9830	5402	8762	35247	25510	12564	21196	21559	7513	7890	7435	11577	15165	31826	0	17952	8812	27297	26693	27942	16983	23259	0	20704	19368	20901	0	15308	24536	15411	3960	9569	23206	12305	13328	45792	56657	45344	48396	17351	16290	0	23026	21999	7048	2003	3482	23094	18140	25195	0	30672	7256	0	24499	7786	Peptide	0.33333334	1.3809524	0.14285715
20	C16 H34 O7 N3 S1 Na1	436.2088	436.20935	-0.28061283	436.20868	431247	469128	467279	405202	349611	312175	256650	486388	408552	885322	425051	254015	493478	231234	392603	402595	251093	474466	572858	980292	917586	453313	391939	471113	339915	689709	225129	418321	437564	371536	379041	412673	479384	358822	932156	389387	520039	300568	261242	562737	341982	262452	10428	0	676	402314	285199	1646	424645	374921	433606	414205	330654	1518	519599	351228	221559	438711	378513	205486	414760	341556	507431	406438	193822	374790	283850	241928	574873	1107897	779234	413298	393060	415986	273449	381971	642	315596	392816	225048	314503	229900	312792	390795	353664	249507	358940	245859	287543	286003	437574	497672	551435	257502	373092	3046	419967	455512	292856	292734	289790	441728	273765	487622	244812	361402	301924	0	300420	561590	Peptide	0.4375	2.125	0.1875
6	C18 H33 O7 N3 S1	436.2112	436.2117	-0.16122323	436.21112	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9296	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	797	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4534	0	0	0	0	0	0	0	0	0	0	37547	42860	0	1091	0	0	1039	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3888889	1.8333334	0.16666667
22	C26 H29 O5 N1	436.21185	436.21222	-0.25817218	436.21173	3331	3299	3601	4423	1764	2867	0	3485	1851	5156	10621	1505	0	0	3176	1734	2813	0	1912	4933	6960	5904	2663	5388	2675	29954	1119	12168	2643	4349	3948	0	2354	4311	4390	1795	3215	1349	4609	9263	15826	3606	0	0	0	3309	7462	0	2336	1718	5254	4259	2310	0	0	0	0	4591	1527	5165	6125	4178	0	0	0	0	2290	5875	23049	16929	24517	3795	2987	2324	1383	4284	0	1506	2314	4103	2085	3452	4098	8415	1338	0	6048	3545	3158	9324	5865	6282	9372	7685	6427	0	4139	3638	1090	2093	0	5859	2010	1674	4462	4131	1778	0	4287	0	Phytochemical	0.1923077	1.1153846	0.038461536
12	C20 H29 O6 N5	436.21906	436.21936	-0.362015	436.2189	4988	6152	3669	6406	1805	2999	4048	7448	4453	0	0	0	2652	2611	8625	5305	6205	5498	3367	0	0	13943	10208	48425	15021	0	0	0	6024	3761	5129	6403	17692	8856	0	5531	15669	7369	0	0	0	2513	0	0	0	7896	0	0	4614	0	4930	5583	4724	0	8716	2806	3367	21406	0	0	0	0	3259	2284	1219	4342	8462	0	0	0	0	5101	6019	6237	2412	0	0	4444	22258	16170	24465	2566	3952	2571	3516	5406	17198	3925	3598	122101	9699	0	51026	0	0	0	4997	6738	2877	2528	4894	5691	5739	0	0	24943	4563	0	20129	3872	Peptide	0.3	1.45	0.25
4	C23 H33 O7 N1	436.23297	436.2337	-0.19974954	436.23288	11918	10013	8834	10083	1077	2483	7130	16088	2398	5361	2647	7244	1376	595	9499	12519	8953	2029	2893	8943	8699	13208	7634	14900	10326	3063	8496	0	13495	9329	11362	9685	21061	7674	8879	12793	15749	7167	16663	5151	5000	3676	0	0	0	8233	6093	0	11553	12690	9584	7721	2041	0	2167	867	1948	15592	2508	2072	11772	3933	916	1908	1135	1697	3605	11246	3022	3566	4723	7701	8703	14971	12693	8708	0	6622	11123	5148	8211	2228	5318	4302	714	2515	9866	2571	3342	27797	9669	6256	31093	4787	7930	0	12051	10863	553	1435	1054	15038	7205	11835	4074	14081	1108	0	8534	1088	Lipid	0.3043478	1.4347826	0.04347826
28	C23 H33 O7 N1	436.23297	436.23343	-0.20162995	436.23288	6792	5118	5668	6335	7480	3165	3611	6089	6727	8517	5358	3432	7890	4962	4049	6788	3841	5308	11757	12114	11478	4559	5193	8724	3737	20775	1563	7023	5227	4557	4665	4281	6939	5983	10073	6418	6738	2505	5076	5993	10397	3515	0	0	0	3984	7919	0	7109	4031	5996	6419	5962	0	6278	4390	1346	8280	2087	3243	8738	4298	7133	5462	2380	8383	4357	5207	19774	29544	31012	4676	5142	3377	4349	4248	0	3060	6193	3666	2935	2566	4125	4746	5826	3459	7671	4417	3579	6829	6979	8698	7012	2919	5593	0	5821	6976	2783	6436	7309	5989	2257	5469	3860	5050	4278	0	4646	7744	Lipid	0.3043478	1.4347826	0.04347826
22	C22 H33 O6 N3	436.2442	436.24496	-0.094463475	436.24417	0	0	0	0	0	0	0	0	0	1767	0	0	0	0	0	0	0	0	1794	0	0	0	0	0	0	0	0	19516	1227	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2010	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42351	0	0	0	0	0	0	0	0	0	0	17530	12623	1860	1670	0	0	0	0	0	0	0	2753	0	0	2294	0	0	0	0	0	Peptide	0.27272728	1.5	0.13636364
12	C22 H33 O6 N3	436.2442	436.24457	-0.1563617	436.24414	2962	2002	2853	2469	1390	6272	0	4272	0	0	0	0	0	0	4113	1818	0	1439	0	0	3446	0	2840	0	3335	1351	0	15583	4038	3224	2531	2605	4978	2470	0	3038	4340	2085	1621	0	0	2296	0	0	0	0	0	0	2448	1481	2921	6027	1612	0	0	0	1253	4330	0	0	0	0	0	0	0	0	0	0	0	1527	0	1789	2031	2951	1751	3051	0	2951	0	0	2093	0	0	1460	0	0	2873	0	1080	0	152063	263544	7492	5696	0	0	2660	3136	0	0	0	0	2230	0	0	2544	0	0	1761	1217	Peptide	0.27272728	1.5	0.13636364
14	C22 H33 O6 N3	436.2442	436.2446	-0.3340593	436.24408	15404	18685	15794	12421	0	17264	0	2654	1970	0	2247	0	0	0	0	7198	0	1367	0	2439	0	0	1219	2954	3295	0	0	68233	1780	0	2096	0	3206	1681	0	0	4159	1437	0	1668	0	1993	0	0	0	0	0	0	0	0	13429	10136	1212	0	0	0	0	4179	0	0	0	0	0	0	1239	0	2219	2531	0	0	0	1337	1069	1827	1230	0	0	1240	0	0	0	0	0	0	0	0	2324	0	1393	0	1590149	883145	6059	3772	7711	0	13320	17078	0	0	0	0	1405	0	0	2614	0	0	1116	0	Peptide	0.27272728	1.5	0.13636364
2	C24 H37 O4 N1 S1	436.25162	436.25232	-0.003589883	436.25162	0	0	0	0	0	0	0	0	0	3223	16302	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46222	0	0	0	0	0	0	2958	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	624	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67841	0	0	0	0	0	0	0	0	0	0	12738	2438	0	8681	4358	0	0	1097	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.16666667	1.5416666	0.041666668
22	C20 H37 O9 N1	436.25412	436.25443	-0.3759056	436.25394	5547	2164	3735	4078	1909	5025	5278	2527	2090	2366	2972	3590	2394	0	2429	0	3423	0	0	0	0	3033	0	1889	1872	3728	6340	394098	1617	2176	2816	0	0	0	1817	2080	1564	0	0	1496	2898	2464	11674	6167	3592	1340	1720	6534	3306	2501	1965	1799	2764	5488	2681	0	0	0	3941	4930	1622	2068	1794	0	5619	4432	2556	0	0	0	2525	3216	2570	1576	0	2671	4439	2766	3125	3287	3179	3393	5138	2104	3254	4839	2000	2761	0	5572	2624	0	0	2555	0	5858	3650	2277	3787	0	0	0	2507	1825	6182	3527	0	6955	4149	1729	Lipid	0.45	1.85	0.05
10	C24 H37 O6 N1	436.26938	436.2699	-0.24626705	436.26926	13701	10080	10165	6557	1035	2214	7758	23694	1904	6596	4377	10977	1101	0	11453	19800	7019	1950	3294	12166	9297	8667	7958	14902	17360	2117	8583	4805	21234	16338	18950	19263	18760	9690	12922	23052	15932	10778	8162	7473	1368	2076	0	0	0	4599	4329	0	23474	17349	9429	8481	1948	0	0	0	1329	16199	0	0	13763	2675	0	930	2350	2126	3401	13249	0	6577	3421	22818	13453	22266	11835	15556	0	13967	10969	0	6348	0	0	4671	1260	2377	22825	2736	4654	44718	33000	5625	27117	7332	9279	0	12713	15101	0	0	0	14894	10507	10966	0	15783	0	0	13845	0	Lipid	0.25	1.5416666	0.041666668
8	C24 H37 O6 N1	436.26938	436.26996	-0.18076062	436.2693	4319	8426	5610	8661	685	1298	4704	19210	0	4402	2062	7658	0	0	8851	12234	4827	0	1624	9800	5271	5477	5090	11552	8898	2940	6757	2319	9726	10112	10434	11059	10365	7683	6564	12501	12849	7040	6098	4205	2123	2530	0	0	0	6178	1536	0	15604	12507	5620	7589	1126	0	0	0	831	13094	0	0	11442	1032	0	0	3004	950	1885	7034	0	3718	2554	10421	7251	15354	7656	10142	0	9199	5529	4614	4520	499	963	4171	0	0	10487	2637	1875	48287	25315	0	25689	4832	8879	0	6586	5380	0	0	0	11227	6928	9429	0	14433	0	0	7842	0	Lipid	0.25	1.5416666	0.041666668
16	C24 H37 O6 N1	436.26938	436.26987	-0.1848273	436.2693	7401	6263	7230	6092	2984	3788	10616	18264	1864	2277	2978	9863	2170	2832	9063	14569	15241	3908	6519	7537	4895	6248	7979	11881	5609	6369	9231	6215	13287	13938	13044	17859	15965	12603	4764	16876	16727	8462	9697	3646	5782	4385	0	0	0	6115	6140	0	14128	18024	12472	7259	3443	0	2047	1540	3006	15246	0	3989	15722	0	0	1825	3137	2830	5731	14768	6600	6865	4763	10261	11077	29559	9936	17528	0	16093	5741	3682	4396	1458	1905	3565	2888	1133	9646	3232	2646	0	19615	4090	0	4264	5786	0	7864	7018	2648	0	2625	12774	14362	8865	0	0	2558	0	4850	0	Lipid	0.25	1.5416666	0.041666668
12	C24 H37 O6 N1	436.26938	436.2699	-0.24747682	436.26926	7788	7207	6531	9450	1475	2671	9847	26852	1598	10326	3917	9971	1837	1555	20542	13755	6553	2009	5050	16121	8038	0	13726	15944	17235	4864	8121	0	22152	22750	23516	22943	22171	18401	15030	23724	26664	9549	7820	8803	0	3300	0	0	0	8372	0	0	27270	19903	11396	8515	2630	0	1176	0	1475	26484	0	0	0	2314	0	1860	1226	1851	3213	9666	0	8292	2889	15063	13808	43921	10214	18263	0	27794	6147	0	7075	739	0	4085	1930	2976	28946	2978	6231	32110	25390	5947	29214	3987	9096	0	6466	9273	0	0	0	15441	18940	9316	0	15458	0	0	8309	0	Lipid	0.25	1.5416666	0.041666668
14	C24 H37 O6 N1	436.26938	436.2698	-0.23082736	436.26926	6676	6580	6704	7284	1554	3717	13521	20253	0	2997	3015	9378	0	1419	10186	11763	8129	0	1935	9949	9730	5500	5942	4528	8661	2889	10306	0	11833	13931	15733	15581	20759	8960	7998	12756	14380	5902	6576	3014	0	2862	0	0	0	4920	0	0	15993	10486	7060	7655	3474	0	0	0	1447	11245	0	0	0	1644	0	1645	2600	0	4890	9695	0	7290	3953	12915	10052	19238	11810	15425	0	8529	4919	0	2943	0	1240	4548	2674	3171	10386	1568	3820	14005	20921	2949	14297	2938	6404	0	4622	8663	0	981	0	17618	9324	11659	0	8444	0	0	4987	0	Lipid	0.25	1.5416666	0.041666668
20	C23 H37 O5 N3	436.2806	436.28098	-0.24862468	436.2805	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2967	0	0	0	0	0	0	0	23778	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2711	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6775	0	0	0	0	0	0	0	0	2263	0	1940	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2173913	1.6086956	0.13043478
18	C22 H45 O7 N1	436.32687	436.32687	-0.22125944	436.32678	0	0	3390	2193	0	0	0	0	0	0	0	0	0	0	0	812387	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2633	0	0	0	0	0	2448	13504	0	0	16803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3181818	2.0454545	0.045454547
16	C26 H45 O4 N1	436.34213	436.34213	-0.1948955	436.34204	0	0	0	0	0	0	18277	0	0	0	0	2412	0	0	0	0	0	0	0	0	0	0	0	0	0	0	137858	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1513	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1421	0	0	0	0	0	0	0	Lipid	0.15384616	1.7307693	0.038461536
16	C19 H16 O10 S1	437.05368	437.05438	0.07776884	437.05374	2299	4450	2017	2577	3762	1851	0	0	3645	11531	6996	1197	9789	0	0	0	0	3555	5225	0	2563	17384	0	0	0	0	0	3214	0	0	0	0	0	0	11517	0	0	0	0	3133	3770	0	0	0	0	0	2382	0	0	0	3090	1739	1544	0	1853	4445	1411	0	0	0	0	3559	6017	2975	0	4447	2378	0	2625	2955	6999	0	0	0	0	0	0	0	0	12962	0	1431	0	2375	2879	1136	0	1466	1702	0	0	4833	0	23690	18129	0	2470	1749	3551	3386	2614	0	0	0	0	0	4417	0	0	2888	Organosulfur	0.5263158	0.84210527	0.0
24	C19 H16 O12	437.07144	437.07196	-0.00551876	437.07144	5723	4717	4895	7376	16154	8890	1680	0	19245	3586	1966	1153	42247	6397	1902	0	0	18143	13253	2127	5071	9020	4629	2359	0	2378	1178	0	0	0	0	0	1050	0	6002	0	1257	2199	0	2802	2051	1934	0	0	0	4761	7138	0	0	0	3665	5208	6515	0	22081	15292	5460	0	1032	1119	0	2947	31223	17326	2859	17041	2391	0	2962	2376	2286	0	0	0	0	0	0	1852	6225	5450	4970	7400	0	2149	22829	7618	1911	2022	1587	0	0	1908	1656	6568	7182	0	2603	6041	10057	12760	13966	0	1405	0	7594	1330	11523	0	1366	34208	Phytochemical	0.6315789	0.84210527	0.0
12	C19 H16 O12	437.07144	437.07202	-0.09818886	437.0714	58168	55492	55068	64280	128229	45714	15394	7032	145730	68304	89380	22716	195570	37592	13768	14014	14972	112986	125417	36156	75361	120542	34550	9584	3028	2320	7114	0	4534	4730	9152	7004	20092	9314	102317	6730	20316	22256	14970	22402	88612	41328	1804	0	0	29722	109156	0	9080	7236	58124	65256	75394	0	132737	124954	55876	10634	0	40290	0	29488	265380	124565	44334	146946	49550	18208	0	7634	23538	9310	7494	5244	17106	10570	0	20366	61088	55726	49796	43264	3052	5314	149766	50590	43466	49936	38908	25646	6124	10058	25980	193895	86291	0	65364	53300	146885	187685	151728	30794	23368	0	69732	20848	116591	0	11514	244588	Phytochemical	0.6315789	0.84210527	0.0
10	C19 H16 O12	437.07144	437.07205	-0.12084736	437.0714	18602	13658	17771	16387	34292	11518	2516	2430	44906	15038	23905	8075	53718	7078	4620	4470	3927	24514	34022	8399	22370	26811	9859	5479	1276	0	3600	0	1250	1271	2839	1977	5583	0	22673	1921	5007	6726	4286	3679	16105	8646	729	0	0	7903	22837	0	0	1798	13819	14521	17442	0	32564	39890	14218	3672	4852	6880	0	7131	75285	39837	15974	40731	11569	7701	0	2748	6537	2926	1668	1131	8620	2686	0	4476	14788	9337	11704	8018	0	0	47660	14830	13065	12810	12217	7990	9468	14206	3686	31562	14125	0	15896	15642	45656	59811	49344	4597	6809	0	0	5848	30209	0	841	68441	Phytochemical	0.6315789	0.84210527	0.0
16	C19 H16 O12	437.07144	437.07202	-0.07526893	437.0714	69552	88836	76522	92364	166270	91770	14198	12526	182137	65094	51418	31902	360626	58730	28484	17632	15644	181558	203272	43114	88182	163598	58948	16852	7472	4506	16460	10422	8844	6016	10926	0	33716	12250	102796	5146	36738	31714	11684	37238	67350	40022	3592	0	674	59746	125014	1900	6732	8132	84742	61150	98482	0	184490	166408	76904	23095	30606	20470	23396	58020	354092	187324	69408	210802	65426	18214	14176	9604	33650	11696	8500	3146	15654	6710	702	25596	69156	105378	64804	84020	6910	9344	201318	67946	66700	58084	64684	0	16148	29024	0	162704	117196	1016	76016	69008	149438	189038	190370	28380	27018	12874	74940	23992	139526	886	16848	330322	Phytochemical	0.6315789	0.84210527	0.0
8	C19 H16 O12	437.07144	437.07217	-0.07514433	437.0714	3627	5120	3965	5675	14472	3732	0	905	16550	5376	5137	2340	23224	3090	1207	1199	917	10019	12787	1797	6885	8711	4051	2087	0	0	1310	0	0	723	0	856	2255	0	10327	0	1835	2180	1041	1748	4658	3865	0	0	0	0	7384	0	1707	0	6683	4339	7940	0	11772	18212	6737	0	0	0	0	1740	30307	15514	6955	19391	4044	1713	0	0	2246	0	0	0	1566	0	0	962	6858	0	3773	2156	0	0	22654	4455	3623	5611	3544	1861	0	0	1731	9345	3252	0	4990	6298	18143	28963	20603	1275	2034	0	0	1515	12553	0	0	26748	Phytochemical	0.6315789	0.84210527	0.0
26	C19 H16 O12	437.07144	437.07196	0.0358779	437.07147	5067	0	4595	3245	10656	7045	0	0	9971	6263	0	0	32401	6206	0	0	0	16969	12646	0	0	6233	0	0	0	0	0	0	0	0	0	0	0	0	4095	0	2045	0	0	0	2854	0	0	0	0	0	0	0	0	0	3730	3582	7848	0	16599	13135	0	0	0	0	0	3186	23667	10166	2494	12110	0	0	0	2509	0	0	0	0	0	0	0	0	3120	0	4234	3580	0	0	14604	0	2556	0	2324	0	0	1645	0	5414	9266	0	4438	0	6727	13471	10884	0	0	0	0	0	7384	0	0	25937	Phytochemical	0.6315789	0.84210527	0.0
22	C19 H16 O12	437.07144	437.07202	0.11257069	437.0715	9489	6668	6785	8328	24729	11064	1316	0	25214	7900	3338	1833	47685	11543	3262	0	2202	35620	17609	5403	5338	20093	5225	1779	2367	1638	1735	1969	0	0	1708	0	2226	0	7049	1175	2637	3866	0	3717	4523	3298	0	0	408	5942	15141	0	0	0	4826	9772	13890	0	27981	26704	6882	2343	1659	1698	0	4370	60055	25682	6875	26579	5439	0	1814	2122	3548	0	0	0	0	0	651	3761	8905	8890	7344	9393	1434	4768	33557	11753	7556	4710	4685	2714	0	3382	2517	21027	13739	0	7436	7014	16490	27983	31186	1503	2315	1394	13634	0	18127	0	0	53160	Phytochemical	0.6315789	0.84210527	0.0
14	C19 H16 O12	437.07144	437.07205	-0.08925826	437.0714	37405	38522	40015	50712	85268	43895	7531	5738	98735	34327	41487	16026	169012	24357	15831	12326	10229	91050	80775	26210	48817	85840	29339	7720	4512	0	9550	7755	4143	2692	6205	0	14032	5926	65751	2369	14733	18834	11698	19341	44124	28064	0	0	0	27263	68413	752	5687	5552	39190	47471	50281	0	83572	83163	38014	13646	11445	14582	0	27800	175510	97174	36923	105646	40689	13555	0	0	14398	5359	3814	1223	7835	4662	258	16183	38860	49690	25077	33015	2283	3795	101012	35958	24938	39083	33984	17806	3131	11943	18632	103101	55760	0	41045	43498	73802	121508	104919	16256	16256	4828	37730	15420	69217	0	7131	138095	Phytochemical	0.6315789	0.84210527	0.0
28	C19 H16 O12	437.07144	437.072	0.04185524	437.07147	5549	4843	5524	4858	11748	7244	0	0	12598	4887	2359	1493	29207	6114	0	0	0	14593	11750	0	5115	5380	3334	2498	0	0	0	0	0	0	0	0	1380	0	5757	0	0	1469	0	1872	3114	0	0	0	0	4889	7566	0	0	0	5665	4901	6211	0	13273	12180	4593	0	1136	0	0	3395	20236	10170	2854	13048	3217	0	0	1045	0	0	0	0	0	1453	0	1537	4891	0	6050	4094	0	0	15040	7400	4600	3228	3801	0	1197	0	0	6120	5885	0	5107	5291	6311	10377	11669	0	1449	0	5632	1455	8095	0	1438	20153	Phytochemical	0.6315789	0.84210527	0.0
18	C19 H16 O12	437.07144	437.072	-0.062064733	437.0714	26513	28032	21917	21800	62051	40680	4215	2782	64276	16911	16052	8316	137504	31738	15222	3912	1996	86185	72341	8946	25091	51081	19005	7165	3325	2906	3694	6322	0	2180	3532	4733	7956	0	26419	0	7543	12677	4436	12219	17584	14979	1341	411	555	17569	35698	996	4100	3109	24889	26031	39971	258	71023	68320	29475	4544	4318	7084	6531	17853	126191	63284	21643	77922	22992	5153	9724	3302	11904	3801	1208	0	4580	0	533	8487	22116	34622	24468	26853	3193	3156	75802	32617	17673	15374	24773	3222	3416	9823	9008	50522	37384	0	26711	23376	55738	73678	77344	7959	8652	6819	26156	8102	50876	527	5090	115202	Phytochemical	0.6315789	0.84210527	0.0
20	C19 H16 O12	437.07144	437.072	0.027778246	437.07147	14710	14501	13918	12935	37797	20685	3513	1809	46403	9158	7505	5591	89410	19359	6378	2040	2204	41945	40389	8839	8797	28256	11780	3135	4103	1414	1885	3259	0	1484	1966	1874	4069	1635	14255	0	4551	7747	2815	5380	10573	6710	1317	0	441	11501	30281	1830	0	1696	16175	14237	21709	0	48501	42540	14435	2769	4125	3337	2482	9947	73001	39952	10847	53074	9131	3067	4928	4749	7223	2346	1475	0	1498	1836	775	5984	16329	16914	12458	15511	0	0	47732	20278	11037	10215	14590	3393	3078	5255	6514	36481	15123	0	15378	12952	31579	53018	49949	4054	4606	2455	18079	6827	34415	0	2572	88482	Phytochemical	0.6315789	0.84210527	0.0
10	C18 H16 O11 N2	437.08267	437.08347	-0.009975833	437.08267	4527	4352	3186	4304	6101	1405	0	0	8172	2280	2840	1964	16672	0	849	0	1342	5071	5166	1883	5962	10415	1298	0	0	0	0	0	0	0	0	0	2022	0	5118	0	0	0	0	2683	8895	2482	0	0	0	4566	10234	0	0	0	0	4279	2615	0	9481	7870	2213	0	0	2295	0	3298	21497	8076	2992	9499	2258	1437	0	2128	0	0	0	0	0	0	0	0	2300	0	1091	2460	0	0	10597	2300	1236	4751	2976	2921	0	0	1749	11328	3820	0	3196	3147	4618	12154	7483	1836	1090	0	0	1585	5834	0	0	18770	Phytochemical	0.6111111	0.8888889	0.11111111
14	C18 H16 O11 N2	437.08267	437.08334	-0.025391284	437.08267	5697	5724	5106	4194	11852	3619	0	1651	18314	2214	6332	1995	20345	2238	0	2741	2255	6891	5186	2222	11806	12021	3138	0	0	0	0	0	0	0	0	0	3855	0	9472	0	0	2182	2235	2862	12913	2902	0	0	0	3800	17193	0	0	0	4941	4282	2821	0	13163	10661	5596	3010	0	0	0	10647	40148	16821	3870	10906	4080	2610	0	0	2506	1014	1136	0	1230	0	0	1139	3045	0	2304	5467	0	1597	11259	2498	3350	4334	3007	0	0	4222	3497	17061	10318	0	6079	3863	6574	11729	8087	2230	2119	0	0	3254	6193	0	0	25569	Phytochemical	0.6111111	0.8888889	0.11111111
8	C18 H16 O11 N2	437.08267	437.0835	-4.46923E-4	437.08267	2904	4206	3732	3332	6172	1312	0	0	0	2626	3642	0	16114	0	0	0	0	5204	5836	0	6710	4632	2100	0	0	0	0	0	0	0	0	0	2080	0	3018	0	1942	0	0	2910	6266	2806	0	0	0	0	5574	0	0	0	0	2592	3376	0	7194	9558	3168	0	0	0	0	2830	31374	8670	0	10496	3460	2346	0	0	0	0	0	0	2532	0	0	0	1860	0	1920	2572	0	0	11054	0	0	2368	1772	2294	0	0	2800	5962	0	0	2878	3804	6576	10750	10036	0	0	0	0	0	5912	0	0	25710	Phytochemical	0.6111111	0.8888889	0.11111111
12	C18 H16 O11 N2	437.08267	437.08337	0.10054752	437.08273	4218	6630	3191	4366	7249	2560	0	0	12360	4713	5757	1595	18314	2332	901	1793	0	5345	11515	1893	11773	16195	3381	0	0	0	0	0	0	0	0	0	2684	0	8590	0	1564	1134	2063	5080	9714	3045	0	0	0	5680	16283	0	1707	0	5710	2120	5137	0	12407	13556	3832	0	0	0	0	6116	30412	14470	4448	12586	2229	0	0	0	4352	0	0	0	0	907	0	1560	2840	0	3068	5930	0	0	12369	2558	2164	5077	3108	0	0	0	2589	17046	7651	0	4783	4297	9145	12409	9615	0	2130	0	0	0	5829	0	0	27671	Phytochemical	0.6111111	0.8888889	0.11111111
14	C23 H16 O9	437.0867	437.08743	0.033167586	437.08673	3947	3552	2215	3813	2192	1217	0	1987	1969	12964	7860	1341	5556	0	1057	0	0	2790	3700	6148	6731	5707	1304	0	0	8432	1420	0	0	0	0	0	1446	0	23239	0	0	0	0	2939	5548	1099	0	0	0	2138	0	0	0	1329	5260	2255	1882	0	4213	2379	1884	0	0	0	0	0	5349	2523	2622	4022	2192	1549	0	12759	11900	0	0	0	1323	0	0	0	1637	0	3022	4171	0	3088	4890	0	2448	1899	0	0	0	0	0	4776	8517	0	4254	3037	6631	5211	4335	0	0	0	0	0	3103	0	1968	0	Phytochemical	0.39130434	0.6956522	0.0
24	C23 H16 O9	437.0867	437.08713	-0.20257853	437.0866	10129	8644	5724	7670	11589	5184	0	1424	12555	25644	10290	2294	11577	5315	3473	1657	2071	12540	13568	9093	16297	16554	4059	2005	1868	22975	0	7543	1529	0	0	1264	3189	0	24552	0	3386	3523	2115	8060	11868	2420	0	0	0	8676	12771	0	0	0	7195	7945	6188	0	9706	7271	2638	1544	2687	2972	1436	6298	15935	9762	4945	12251	4067	0	18893	17035	27696	996	1766	0	0	0	0	1663	9397	13258	4340	7994	2456	6309	14480	7035	10253	4516	7885	4150	2231	2644	1799	27170	25310	0	8050	5056	11945	12248	12221	1351	1773	3265	6717	1985	6708	0	3681	12026	Phytochemical	0.39130434	0.6956522	0.0
18	C23 H16 O9	437.0867	437.08722	-0.12223655	437.08667	16238	16949	10090	11533	19108	4855	1866	0	13339	51765	34780	2276	17445	8768	4487	5744	0	15570	23317	28544	28589	24106	4758	1987	1813	44588	3142	17971	0	1633	1906	0	3377	0	68310	0	2531	2499	3428	17135	20584	2345	324	0	0	16462	20984	0	0	2265	12949	16779	7692	0	11416	12230	7767	4588	3237	2485	2422	17064	28756	13184	8640	16281	8456	1893	37612	36482	65023	0	0	0	1435	0	0	2027	13561	26108	9854	16817	4363	17132	20537	9754	12231	6009	6481	6702	8834	7404	4233	38730	38331	0	12946	14776	16765	13535	12681	3557	0	3960	12344	4484	11255	0	5948	16698	Phytochemical	0.39130434	0.6956522	0.0
26	C23 H16 O9	437.0867	437.08716	-0.18591361	437.08664	3568	4722	3559	5343	3813	0	0	0	6987	13639	4752	0	6457	2754	0	0	0	10550	6887	8205	6699	12516	0	0	0	11377	0	2985	0	0	0	0	0	0	19997	0	0	0	0	3976	8415	0	0	0	0	0	6926	0	0	0	4719	5078	5133	0	7067	5944	3403	2168	0	0	0	0	11570	7243	0	7277	2354	0	9128	12699	24010	0	0	0	0	0	0	0	5901	10820	5252	4238	0	4294	15078	0	6024	2864	0	3107	0	4084	4701	16466	15437	0	5595	0	5259	7276	5198	0	0	0	0	1462	6463	0	0	8187	Phytochemical	0.39130434	0.6956522	0.0
20	C23 H16 O9	437.0867	437.0872	-0.10210366	437.08667	13827	18828	17820	11516	15795	9683	2661	2418	19653	51804	37055	2670	19431	10484	3562	6800	2165	22839	24001	33459	35768	38910	6062	4884	4634	52003	3946	19212	2077	2633	1596	0	2555	3186	82093	0	5308	4606	3340	26571	22098	8291	628	0	0	19456	33997	0	1629	2099	16815	20316	11716	0	18827	15335	10242	3901	6614	5295	4964	15595	28905	22422	14732	19539	12522	6838	39294	42650	73606	0	0	0	1467	1699	0	2205	10021	34247	11372	23316	4375	24070	28360	14126	12919	9832	5728	8461	10052	13267	6881	52106	43138	0	17358	15023	24256	21345	18910	4198	3437	6509	18661	3980	15459	0	6540	24998	Phytochemical	0.39130434	0.6956522	0.0
22	C23 H16 O9	437.0867	437.08716	-0.13404877	437.08664	10825	12935	10879	12431	14589	9452	2545	1251	15821	36549	30407	4040	15280	7012	3050	2871	2842	23234	18750	21738	19817	33111	6646	3264	4829	43498	3010	14025	0	1948	2719	0	4074	2247	50398	0	4843	4838	2544	17899	21239	5537	0	0	0	19381	22880	0	1814	1640	13325	11793	10987	0	16249	13142	8856	3057	5806	5001	3995	12720	22070	16224	9340	15987	14279	3588	32197	33123	49236	1290	1390	0	2644	2595	0	2906	16513	21660	7367	20429	4201	19241	25171	14210	6595	7003	8110	6758	5498	10726	5282	38366	49467	0	12525	11836	16809	19337	16695	4465	2891	4728	15199	3979	17012	0	6463	24839	Phytochemical	0.39130434	0.6956522	0.0
16	C23 H16 O9	437.0867	437.08737	0.035908867	437.08673	6824	4218	5551	6271	8348	4127	0	0	7826	32692	25420	1689	9178	3896	1412	3532	1480	9097	9042	13064	15417	20920	3452	1563	1961	24537	2194	8163	0	1701	0	0	2420	0	40416	0	0	0	2107	11019	16089	1902	297	0	0	7453	11785	0	0	0	9289	7021	4797	0	5945	4930	2238	2153	3358	2500	0	5692	11485	6309	4152	6156	2922	1688	20587	21191	34682	0	0	0	0	0	0	0	5784	16396	3022	11319	2134	4590	7244	4622	5921	2422	3528	0	0	4595	0	14332	20897	0	8238	4237	11652	9120	8809	2075	1402	1640	4464	0	6685	0	1577	9041	Phytochemical	0.39130434	0.6956522	0.0
12	C24 H20 O6 S1	437.10535	437.10574	-0.31201532	437.1052	0	2471	0	2938	2921	0	0	2662	3086	4988	4706	2890	4151	2656	0	0	0	0	5262	0	1894	0	3104	0	0	1640	0	0	0	1528	3333	1974	1718	2872	0	1844	1709	3515	2846	0	0	0	1843	0	0	0	0	0	0	0	0	0	1801	0	0	2877	3578	0	0	0	0	10766	3340	5085	2817	2210	3206	0	0	0	3873	2959	0	0	20774	1964	0	3568	3080	0	3251	2757	2433	2682	0	4324	0	1793	2310	0	0	0	0	0	0	0	0	0	5878	4031	2292	0	2677	0	0	2093	5026	0	2808	3519	Organosulfur	0.25	0.8333333	0.0
6	C20 H20 O11	437.10785	437.10852	-0.1118879	437.1078	8894	10884	7708	7894	11413	4696	2668	5159	16125	18176	18062	5550	16113	4547	3911	6309	6997	12840	15628	9679	24205	10158	7393	5601	1260	4742	3384	3689	4386	3949	5061	3762	5630	3504	20730	3680	4844	3598	9962	7579	10861	7149	0	0	0	7573	14333	0	2345	4313	7744	8130	8190	0	15406	13334	5963	5639	3686	6863	6912	6217	21030	14489	5611	12772	7285	9969	10707	6812	14116	4048	4411	2928	0	2344	0	4789	8940	2803	7220	5249	2927	1745	17393	7953	6400	7987	7722	9053	0	2958	7210	9172	7983	0	9029	7543	13056	19197	17090	5765	4855	4193	0	7891	14759	0	2304	21051	Phytochemical	0.55	1.0	0.0
26	C20 H20 O11	437.10785	437.1083	-0.016174566	437.10782	8291	7185	6948	7015	10049	8124	0	0	15294	17156	3635	0	24900	3427	0	0	0	15027	10413	8784	12879	12386	0	0	0	0	0	0	0	0	0	0	2183	2324	16750	0	2626	3129	0	9173	8524	0	0	0	0	11270	16089	0	3660	0	6794	5256	6363	0	16575	10213	6203	2056	2968	0	0	5882	26554	11130	2859	13990	6138	1900	0	12857	7918	0	0	0	0	0	0	0	4626	6583	6300	11523	0	2688	12090	0	3302	2666	4774	0	3422	3979	0	9801	14701	0	5941	6783	7608	9972	11160	0	0	0	8898	2203	6877	0	2468	25207	Phytochemical	0.55	1.0	0.0
14	C20 H20 O11	437.10785	437.10843	-0.08034772	437.1078	245918	242871	217616	221014	262639	195411	100460	144030	329275	490445	291328	103780	849712	129229	141048	133206	98473	345216	321882	370685	834882	489298	166581	139718	77436	102748	91182	186162	103839	102536	116336	134607	155706	112147	1325376	112078	147240	142836	104659	552166	298555	122140	0	752	659	723976	532044	713	127512	113877	234155	218061	172214	446	370558	214247	128954	146389	189921	116700	192036	535138	917486	310343	122654	288674	159212	98193	215801	223254	262278	126161	109519	104884	84094	116309	412	126221	176856	256191	158081	670062	77864	123684	257711	149101	129342	135235	144376	132447	113748	173522	171832	376691	348035	1351	247139	215518	261270	248525	209174	152968	115118	164602	546471	141484	203006	535	84805	843252	Phytochemical	0.55	1.0	0.0
12	C20 H20 O11	437.10785	437.10846	-0.08076493	437.1078	181430	194904	182012	195937	173847	113362	101919	90032	463726	401491	273090	95463	501280	73575	94748	114187	88207	232506	240879	290022	661032	362959	136952	133903	41848	71788	85270	127362	77486	68612	95053	86502	127888	90087	974178	76920	113233	104548	98717	404302	341451	90709	4075	0	385	484752	858126	523	98447	93912	200921	214469	142857	373	257906	157815	94250	119163	117407	128593	109837	194114	705460	213370	86145	213030	110033	97790	184062	157086	219104	99649	81762	76485	71001	85491	337	88387	147826	210420	130320	458242	60875	91994	381406	104932	127098	90736	105215	102315	72741	123407	125133	317559	569398	775	193470	199139	225095	341516	166620	119384	90197	113158	303524	107283	168632	506	67991	619262	Phytochemical	0.55	1.0	0.0
18	C17 H24 O11 S1	437.1112	437.11237	0.33027473	437.11136	140656	143731	140931	142310	181430	155928	55737	74832	207922	286002	118855	57470	342784	108687	90579	76994	47512	259198	237126	220819	221069	250861	103952	86529	52909	56437	48684	72411	71184	48298	62924	59020	101784	59246	333784	56669	102392	79087	47066	158012	145663	70762	6253	1304	799	239521	274828	898	73672	60273	144057	135870	138653	915	263305	165022	85092	86830	80824	52782	67721	154531	324624	204767	85020	211791	98709	48001	103215	138346	160640	78486	67989	46945	38821	63375	1157	67964	111345	118432	96755	237837	51110	107137	194714	113839	105763	75397	89202	51787	80448	131572	104939	183023	228277	1582	163839	132864	158995	148344	137818	64594	60774	65539	178142	85434	148367	861	48322	348212	Organosulfur	0.64705884	1.4117647	0.0
6	C19 H20 O10 N2	437.11908	437.11975	-0.15468276	437.11902	20055	20199	16642	23546	18324	9673	6828	16081	26558	33263	29470	13013	31310	5245	9766	14758	17150	19496	24772	21842	41856	35573	16304	15559	3427	2354	6934	5582	10926	10460	14566	14496	19910	12748	37822	12571	16382	10272	21707	18929	45274	12672	0	0	0	21075	60034	0	15012	14299	22520	17864	14441	0	25086	18300	8902	14027	11926	19990	12545	20766	46523	28762	11040	23571	15667	22013	9148	9073	19048	12381	10502	10026	10203	10606	0	8699	13604	10355	8380	15755	6932	6351	25066	11130	10893	17770	14654	26493	5285	13527	25159	30138	20044	0	19045	20875	15302	26037	23029	19237	10979	18955	27910	15831	16499	0	6549	42568	Phytochemical	0.5263158	1.0526316	0.10526316
18	C19 H20 O10 N2	437.11908	437.1196	-0.051402684	437.11905	181424	177157	180275	170856	223584	189686	80771	100418	253324	324496	145401	83800	414702	129351	113275	102556	64876	315552	286526	257139	277581	333223	137188	122147	71719	63043	62392	85849	94480	60182	87456	79670	139528	82362	397142	72931	145746	102873	80308	211404	197265	94868	7533	1304	799	312175	396872	898	98844	81039	182515	169568	169785	915	317553	199512	109724	112241	106026	72172	93669	201453	389186	261833	104146	270183	130277	68741	120673	166074	177884	99300	82513	60743	60471	82485	1157	92400	141217	149320	121065	314769	66508	123751	252356	138553	151013	111689	122292	87047	106970	171078	174509	245335	287365	1582	211819	171192	189711	185082	170966	90798	81960	87747	237226	119622	188027	861	72306	423472	Phytochemical	0.5263158	1.0526316	0.10526316
14	C19 H20 O10 N2	437.11908	437.11963	-0.12979485	437.11902	69491	71991	58552	68800	57980	46798	31498	54271	71205	104752	64440	39158	106188	31784	46731	52346	45552	89136	75360	67531	116225	149717	54187	52770	32338	10686	23524	39273	43288	40006	33262	40789	57557	32350	145861	37590	62062	42878	50282	95694	116825	40793	0	0	0	114089	194568	0	47722	43365	59014	59435	52099	0	90238	47668	34990	53606	65956	53962	57146	113038	112929	84982	28314	74348	46381	50258	36928	36840	46698	39714	36723	30657	34254	34581	0	39906	51589	82637	46586	92375	29529	34913	67371	35491	48075	49252	52009	82952	40767	61710	94280	110402	84130	0	72190	66959	47027	57722	50339	62419	40331	51400	170923	58150	47447	0	32379	121193	Phytochemical	0.5263158	1.0526316	0.10526316
16	C19 H20 O10 N2	437.11908	437.1196	-0.13306333	437.11902	40431	33022	46422	43070	40466	29248	17370	27806	44618	71325	29436	26247	63653	16471	27198	31062	28301	62717	57495	54154	59798	89381	34401	30736	21575	8599	18028	16444	21636	17014	26601	24559	37834	23630	83186	22291	41071	23837	21225	55967	54367	23477	886	0	0	71925	90004	0	25902	25128	40203	40895	28802	0	49468	31312	24226	26658	29003	20791	33125	51200	72092	46366	20197	51322	27705	28143	17211	20842	28203	27210	24611	19819	25189	23256	0	23928	37122	48349	28424	55380	14819	20868	41558	24879	25966	23789	27579	72003	22285	37157	71327	54168	58853	0	37634	36914	27510	32990	40864	33137	19960	26496	67742	29129	29876	0	26477	84794	Phytochemical	0.5263158	1.0526316	0.10526316
16	C24 H20 O8	437.1231	437.12363	-0.1121491	437.12305	14876	13481	13146	14804	12344	6298	5367	5282	9668	54205	36532	2166	7841	6648	4290	4934	4615	15706	16855	30240	30462	21453	5709	5963	2974	52976	4793	22458	3687	4450	4465	4904	3707	3544	59124	5582	5635	5192	5930	19422	26352	6165	0	0	0	13544	18685	0	5074	4700	11968	15243	11904	0	8099	12590	6362	9120	5263	5088	7850	9238	14646	9902	6193	14777	4570	3798	50079	64619	75535	4545	1885	5274	4694	4024	0	3337	12493	14672	8104	16398	5858	16146	13459	7228	8937	6605	5917	0	5732	9089	0	24578	22495	0	10628	13022	13475	12307	13576	6095	4050	8197	10168	0	9376	0	4899	8945	Phytochemical	0.33333334	0.8333333	0.0
18	C24 H20 O8	437.1231	437.1236	-0.13661785	437.12305	28271	23298	23022	22375	19816	14584	9106	7217	22642	85970	81297	5862	33449	17164	14509	11614	5821	25032	30004	53027	61005	41264	13923	12551	8118	118975	7892	46128	5507	6254	6883	4714	6513	6705	112562	3767	10908	9023	8082	41171	44817	9556	564	0	0	31557	37109	0	7900	7451	27603	26683	14449	0	16180	23798	11951	13142	6862	7267	10062	29963	25915	15057	12220	21733	14920	7312	99239	113363	168016	7977	5567	2239	7665	4649	0	5928	16505	28609	21137	35098	8557	30276	30290	16795	17587	13606	13197	14787	14789	20113	15110	42627	53156	0	28154	24191	24343	20297	20216	9414	7216	13533	25745	9463	17939	0	12823	27136	Phytochemical	0.33333334	0.8333333	0.0
14	C24 H20 O8	437.1231	437.12366	-0.1491575	437.12302	6394	5587	5728	7251	3833	1944	3343	3289	5215	17221	8278	2697	2636	2751	4154	5601	2907	3794	6923	13440	13026	6315	4564	0	2352	22252	2339	0	2270	1376	3004	0	4360	2838	17756	2272	2720	2395	2776	8287	10076	3530	0	0	0	5614	8645	0	2558	3951	4972	7488	3596	0	3375	2947	1511	4098	0	0	0	4479	4099	3958	0	4589	1419	3096	18251	18286	24393	0	2986	2087	0	2701	0	1528	4396	0	3320	5854	2715	6952	5926	3331	4057	0	3042	0	4741	3536	9272	6738	9833	0	4531	5200	6459	3688	3760	5306	2648	3439	0	2403	3013	0	2653	0	Phytochemical	0.33333334	0.8333333	0.0
26	C24 H20 O8	437.1231	437.1235	-0.22826	437.123	6127	6322	6388	4703	6403	3029	0	0	7724	18911	14249	0	11972	4501	0	0	0	11673	11141	12279	14923	12841	0	0	0	30388	0	9309	0	0	0	0	2114	0	25753	0	4298	0	0	9748	16457	0	0	0	0	7652	15121	0	0	0	7745	6037	8467	0	6817	7780	2883	0	0	0	0	7113	13714	5702	3628	9893	4231	0	32050	32905	52318	0	0	0	0	0	0	0	6463	12415	5767	8372	2694	8756	12387	7208	6277	4651	2350	0	1916	5243	0	19104	23282	0	5513	7131	9324	12085	11878	0	0	0	0	1584	7130	0	2386	10316	Phytochemical	0.33333334	0.8333333	0.0
28	C24 H20 O8	437.1231	437.12347	-0.21849935	437.123	4392	3510	3674	2843	3528	1890	897	0	4744	8319	5682	0	4236	2112	0	0	0	4407	7022	4360	9624	7662	0	2083	0	14334	944	4978	0	0	0	0	1167	0	12367	0	1695	0	0	4374	8459	0	0	0	0	3800	5583	0	0	0	4104	3282	3735	0	5123	4542	0	1245	1367	1252	0	3535	7335	2777	1121	4762	2224	1193	17437	16610	29067	0	0	0	0	918	0	0	6014	8601	1529	3215	1182	2372	5971	1849	2921	1884	3272	1905	1239	1310	2913	7440	9595	0	4059	3979	2914	4953	6293	0	0	0	2509	1037	3645	0	0	5728	Phytochemical	0.33333334	0.8333333	0.0
24	C24 H20 O8	437.1231	437.1235	-0.18322724	437.12302	17448	16805	16281	16921	15383	9365	2432	2919	19579	47315	40243	3282	22396	10963	7489	3281	4942	26646	19475	34180	34988	30012	5577	2941	5160	81900	3401	25670	2963	2802	1425	3012	5651	1370	53208	2241	3181	4206	2602	27478	27626	4161	0	0	0	20849	34293	0	3233	3545	11305	16172	11568	0	17583	15870	4365	5430	5918	4740	5257	20927	27391	10881	9669	15046	11436	4597	79033	78494	104159	1740	1768	0	2224	1550	0	1964	16135	31072	9988	21771	3908	27921	30029	13534	13899	7571	8054	6058	7082	7480	6044	39343	31685	0	12833	15156	19261	15645	16758	3830	1307	5169	16653	4647	13906	0	5941	17417	Phytochemical	0.33333334	0.8333333	0.0
0	C21 H24 O8 S1	437.12646	437.12726	-0.004284911	437.12646	8122	9750	7678	9475	5154	0	0	5123	0	1275	0	1511	0	0	0	26641	0	0	1594	0	0	0	0	9314	0	0	0	0	0	19698	2393	14521	1021	8093	0	13490	6963	0	0	0	0	6144	0	0	0	0	0	0	21774	14084	7440	6693	1651	0	0	0	0	7628	0	0	36160	0	0	0	0	2908	0	0	0	0	0	13422	19263	14926	0	11267	0	0	0	0	0	0	0	0	0	0	0	0	1409	0	1708	1242	0	0	0	0	8077	9408	0	0	0	9020	0	0	0	3294	0	0	0	0	Organosulfur	0.3809524	1.1428572	0.0
22	C21 H24 O8 S1	437.12646	437.12708	0.1764115	437.12656	76788	108142	109464	82595	88518	64748	30136	31732	166844	247441	141583	22472	99941	79801	50476	49051	12646	101561	99077	140022	174963	149125	47007	48591	56376	201965	20747	113942	30977	19440	20496	16472	31065	24259	273644	28464	40355	47814	27344	158739	159204	65642	0	0	696	143505	165775	0	31324	18771	112981	72640	81029	951	122767	76249	46322	47551	69339	33871	39782	117341	127922	104615	57285	116390	94546	41143	192544	368856	277094	24941	22727	11273	15023	12117	1670	24617	74868	137942	46759	109915	39339	85467	101404	72725	67517	68857	70689	52938	122222	96438	49182	139808	173942	0	87173	83636	92274	93657	76639	30717	26116	41341	137682	48942	80181	0	40322	150211	Organosulfur	0.3809524	1.1428572	0.0
16	C25 H24 O5 S1	437.14172	437.14197	-0.58858556	437.14145	0	0	0	0	3844	3644	2639	0	0	0	0	0	3926	0	0	2606	2952	3473	0	0	0	0	2274	3223	3389	0	3281	0	2810	0	0	0	0	1294	0	3174	4417	2858	2150	0	0	3903	0	695	0	0	0	0	0	2330	4021	0	4555	0	4037	3470	2750	4056	0	3107	0	6273	0	5996	2796	0	3111	0	0	0	0	0	0	3788	21610	0	0	0	4407	0	0	1542	2546	0	0	2047	0	1975	5921	0	4547	4109	0	4243	0	1138	0	0	3424	1207	2247	0	0	6495	0	0	0	0	0	0	Organosulfur	0.2	0.96	0.0
12	C21 H24 O10	437.14423	437.14484	-0.09446584	437.1442	1535684	1704680	1515448	1590828	903855	688501	553850	1388831	1119226	3233412	2043248	918451	937660	452447	914635	1299880	1017493	1110272	1338764	2904380	2654568	2034112	1123571	1502124	667076	1618136	910564	745068	1167890	1108866	1158409	1254316	1238345	564417	3984768	1138044	1175021	1049356	1112644	1981324	2330368	626148	15238	3471	2131	1993296	2390192	3587	1289328	1335084	1524756	783390	786177	3603	1308436	706604	596732	1332304	669412	689434	874242	1476704	1422792	1000873	504229	1069820	719611	580244	1158182	2417328	2748188	1255528	1145686	1250860	985720	1278596	821	976739	1234932	531614	1144418	1559454	990594	1243416	1006036	588942	1016184	568740	750254	642882	505961	1229464	1168324	1216956	1569708	7796	1741448	1635232	1173248	781006	746588	1252264	875492	1503552	895412	1038179	846942	4102	839813	1330221	Phytochemical	0.47619048	1.1428572	0.0
22	C21 H24 O10	437.14423	437.14468	-0.16924304	437.14413	93082	86121	91700	94636	103995	83613	42684	82690	122851	195350	68690	51586	132429	56547	82613	60815	38864	145857	113052	158167	153396	102809	76007	81038	67434	95571	37100	54966	66218	54567	71259	79878	70540	64034	182439	63406	89538	55574	43667	108030	75304	42267	5243	0	1386	136348	134787	0	63684	60501	82048	86973	74542	1816	134025	87103	58153	72114	62114	35383	63613	84576	146878	104395	42324	107197	63463	36378	80667	180815	118818	72530	69822	62692	40101	56837	1133	63607	87084	51038	76655	110941	48081	65502	104259	59636	66708	42079	54871	33827	55714	71747	78529	63408	96968	0	89534	88317	91906	91230	76869	61260	54114	68986	93750	64154	79347	0	54675	169572	Phytochemical	0.47619048	1.1428572	0.0
20	C21 H24 O10	437.14423	437.14468	-0.11874657	437.14417	274405	282266	250437	220931	255076	230944	124370	231213	337436	566337	215280	129875	420281	152543	213266	186610	93590	360172	346131	491023	439957	310391	223967	226771	173553	271114	99222	175604	204303	178054	203106	187962	250116	191912	630201	164702	246846	170346	112878	356253	211072	135464	9050	2236	1796	404123	314827	2871	220574	191581	263492	278760	194607	2441	373191	205196	140884	195640	205883	96779	190638	233928	375382	268408	122508	275123	178955	113261	245637	476483	358424	218294	197190	197437	122239	186707	1557	175380	207921	146213	183351	261311	135237	240627	234114	149528	180612	116915	156401	116708	196573	234695	258208	184799	211300	3380	257991	253050	224896	198145	178091	189866	139451	203919	264040	194300	184829	2683	150047	468826	Phytochemical	0.47619048	1.1428572	0.0
28	C21 H24 O10	437.14423	437.14468	-0.13629714	437.14417	9577	10633	8880	8496	10212	8902	4794	8822	11028	20409	6661	5591	20171	7109	10708	9408	6981	14839	12325	23394	19819	12680	11550	10443	5220	14036	3428	5898	8137	4774	5407	4627	8141	6337	25190	6312	6700	6352	4358	12902	8591	4983	0	0	0	11276	13812	0	6391	6737	11528	8505	9752	0	13675	10760	4597	8329	6059	3612	8467	8165	15985	9014	6211	10121	4987	3719	13602	25088	18040	8025	7460	5836	5087	7534	0	5166	9395	4215	7802	8366	5584	8780	11215	7676	8167	4779	5281	3649	6739	10319	8168	6573	10312	0	10642	10966	8014	11849	13071	6152	4136	8352	9915	6763	8051	1271	4704	16958	Phytochemical	0.47619048	1.1428572	0.0
14	C21 H24 O10	437.14423	437.1448	-0.056690138	437.1442	3040758	2785448	2653277	2842394	1857277	1663447	849280	2558469	2544027	6940350	3691617	1683800	2573952	566672	2048294	2079243	1547955	2750383	2702674	5566481	5461774	3775132	2147757	2562020	1508498	3491010	1517714	1466992	1995460	2093954	2109201	1361962	2378117	2036369	8580051	2247735	2219547	1875476	1647802	4023257	3464981	1362084	32042	3978	2242	3728232	3729348	3546	2342820	2172262	2723349	2567808	1651276	4938	2623991	1518360	1163007	2514674	1375553	931097	1373392	2697580	2909483	2324529	1108763	2091709	1517686	1671465	1760268	5454797	4767122	2393693	2216327	2417855	1473157	2214104	1704	1823198	2253758	1094356	2197292	2801195	1804688	2575591	2001192	672217	1878825	1273556	1579336	968195	932176	2104542	2379608	2379774	2967962	10198	2951134	2639868	2117669	1631623	1596373	1995095	1706588	2911997	1616898	1963893	1715473	3280	1607111	2651949	Phytochemical	0.47619048	1.1428572	0.0
18	C21 H24 O10	437.14423	437.14474	-0.08188701	437.1442	623142	600174	598427	571068	520997	454237	277310	521104	601102	1389195	525941	281772	1686800	274837	458750	408451	200598	741278	739751	1201096	998648	702474	467826	503849	345916	627434	230325	412259	494463	386667	486203	464058	519921	453186	1534164	444314	542806	370032	256238	1701154	459304	298379	16456	2383	2011	1720690	614454	2349	482534	419085	592826	585522	412677	3450	774614	389942	261838	458096	497945	227778	437407	1192500	791571	568210	233601	547839	378053	277062	531343	1115708	822626	524947	432692	445201	244486	486252	1925	374954	444911	287359	405024	627790	311101	470947	460260	319902	340046	255615	333599	241145	419290	511407	528809	375196	585651	4847	594725	535404	466105	341818	337686	400962	300197	479484	437145	370044	364540	2097	301082	793633	Phytochemical	0.47619048	1.1428572	0.0
16	C21 H24 O10	437.14423	437.14478	-0.044821814	437.1442	1589914	1724554	1602354	1696358	1320196	529438	823156	692173	1703870	4074094	1691810	420508	1882076	342090	1263016	576223	337524	2028644	1903040	3583902	3120406	2047914	1283992	1379428	993336	964736	374076	626100	618938	571501	1420390	710504	1382580	555145	4987776	634899	1473852	1085236	414188	2539136	1507566	368917	16616	3040	2361	2153500	1850078	2444	1436610	1272546	1737546	1614838	1101466	3283	1870260	994406	356204	1319544	1392056	372310	688844	1677102	1903452	1431706	297952	1439770	492038	369664	859576	3209746	2464854	1571382	669755	680832	380570	660780	2094	990732	1209500	471101	1048832	1718200	975232	1505328	1253456	396017	1010524	737922	464481	444627	539157	1376996	793684	1245584	1799000	6361	1639916	1565204	633870	456049	906570	598402	438210	713017	680222	651288	1062422	2763	912322	1993264	Phytochemical	0.47619048	1.1428572	0.0
26	C21 H24 O10	437.14423	437.14474	-0.07780939	437.1442	16158	17920	17897	13962	14993	15884	3134	10120	19993	34957	7995	6274	37809	11732	16950	10036	6366	23492	22515	28131	35580	18232	23682	14146	8217	14425	3844	7911	6086	6021	9561	8523	14905	8387	36908	6788	12505	10672	6240	22621	13381	9371	0	0	0	17736	19471	0	9304	7728	17474	16396	11432	0	22322	31384	14052	13004	8683	4330	13672	12996	30566	17914	4024	20990	6931	5186	12991	24923	23753	12330	8542	7390	0	6654	0	10157	25533	9667	15601	15914	5640	8763	20289	8588	18912	9211	6271	5880	10249	14431	13214	8501	17019	0	18703	15051	10212	167002	126813	8953	8690	8870	14214	8386	10270	0	8532	30242	Phytochemical	0.47619048	1.1428572	0.0
10	C21 H24 O10	437.14423	437.14484	-0.121504106	437.14417	650960	566620	564935	533964	332208	278532	377752	580060	431859	1191324	362854	418474	390581	113024	392885	597552	424959	444884	481002	975220	1022424	643340	392244	598660	130676	658409	401280	246317	427449	462685	435706	521064	524841	429188	621696	509835	487389	387071	519247	747544	819396	251036	8532	0	1120	674392	832028	1056	521130	506334	601399	616876	138885	1188	489884	307628	213989	566101	526901	495346	271194	505194	215668	426079	232332	370520	315603	525320	414616	839116	544618	520117	478403	467652	457734	454977	1490	346112	561732	177008	487145	255885	389778	449928	436718	253292	432744	242896	259444	250050	180574	199591	256263	473452	603452	4360	593848	601040	411360	353961	303874	488801	367179	582460	300014	412724	336493	1308	360844	494324	Phytochemical	0.47619048	1.1428572	0.0
24	C21 H24 O10	437.14423	437.14465	-0.13109219	437.14417	33896	30292	32521	34522	36775	30578	11312	27280	37435	74019	22145	13301	64630	20655	28337	26394	11890	52357	47920	50109	55430	36776	33423	26077	18446	28933	10624	21664	22518	18563	19768	17980	25752	19777	77681	24950	23445	18391	14716	34508	29299	17214	2470	0	0	53972	46595	0	22324	20466	35289	25589	27027	0	53103	33840	18297	22432	18836	10083	23894	26900	62342	37011	13616	47703	19671	13158	30122	60661	37797	24363	19313	18027	12632	15623	0	18875	33843	17258	32368	30937	11967	21801	40507	24755	24283	18932	15879	14736	27857	28268	25628	27484	35267	0	31939	31354	25010	32649	37147	16114	15802	17673	32062	22714	29714	0	18793	63294	Phytochemical	0.47619048	1.1428572	0.0
4	C20 H24 O9 N2	437.15546	437.1562	-0.16993542	437.1554	14206	16287	12071	11595	10204	7378	6249	12247	12875	19018	14558	9461	18262	5439	9783	13031	15631	13854	14954	15827	23984	27542	11654	14357	4839	3507	8095	5660	8040	9816	11551	9342	12842	8748	25924	9918	13578	7937	20003	15862	24222	7755	0	0	0	15768	30485	0	13184	10322	11844	14002	9040	0	17550	12677	6948	10069	9120	14658	15664	12981	16324	13891	7341	13029	6832	22318	9338	6608	11982	8614	8429	9777	5246	8686	0	8454	11555	8384	9707	10378	6963	6950	15382	7101	11935	8631	9959	18937	14035	14125	25642	17026	17290	0	10702	13885	11772	20685	15950	12532	7192	16064	12372	10226	11015	0	6353	20781	Phytochemical	0.45	1.2	0.1
6	C20 H24 O9 N2	437.15546	437.15613	-0.14743473	437.1554	61333	68082	56233	61162	33899	26980	29460	61949	46282	107740	63711	38165	63735	15648	40925	69327	57001	52268	58605	79898	108146	97887	44218	66529	21195	13974	31135	36202	50995	48469	51466	53519	66636	48543	128490	45465	60623	41436	71480	66518	109563	34320	0	0	0	75156	113205	0	67224	54942	60762	64325	32580	0	57879	37062	26360	62351	48173	61558	64245	60595	67333	58234	24577	56113	39599	76377	27782	36575	48078	51341	54234	47019	30524	44336	0	33474	45052	41082	39673	46224	36407	34269	42412	26635	41532	41246	42315	79283	46542	57556	91100	69307	81168	0	65928	60481	27598	43025	42857	67218	35290	74437	62069	55594	32636	0	35097	70020	Phytochemical	0.45	1.2	0.1
16	C25 H24 O7	437.1595	437.15997	-0.21952356	437.1594	19197	19860	18600	25030	15857	8309	7311	13925	13880	33062	24149	10925	13602	10391	9844	18971	15675	14964	11890	29699	34869	18922	13927	13635	10419	56105	14026	21101	9914	11199	14025	13828	12314	6589	36781	16104	8165	10171	18617	21957	28929	11304	403	0	0	19945	19979	0	13512	12434	15874	15138	10222	0	8267	10495	11848	20730	13871	12080	16198	13970	12296	13108	6858	15087	10601	16287	47515	61173	74556	10119	6302	11966	13086	13370	0	9310	18389	14691	14407	16351	10793	20954	14114	6697	24610	9068	9512	35323	10959	13007	0	14741	17179	0	18155	12335	13039	15553	12959	15222	9327	13740	9350	15270	11095	0	10737	14215	Phytochemical	0.28	0.96	0.0
28	C25 H24 O7	437.1595	437.15985	-0.2232406	437.1594	3663	3297	4911	5059	6465	1877	1479	3372	7218	6921	10522	0	8686	2819	0	0	2317	5510	6718	8109	8088	5686	2910	3237	0	22172	1710	9499	3099	0	0	1146	1238	1976	12836	0	2631	1719	2554	6915	9890	0	1270	0	0	4276	7171	0	1634	0	5676	5060	3790	0	6540	5497	2440	2917	1608	2418	2071	4287	8251	3570	2289	8664	2520	2084	29995	24288	43992	0	1451	0	0	1267	0	1193	4792	9365	4242	4129	2804	7601	8762	3794	4415	3116	2496	3201	2819	3244	3503	6053	8207	0	6358	4175	5301	9575	9470	2580	2035	3436	3020	2532	4209	0	2671	5309	Phytochemical	0.28	0.96	0.0
26	C25 H24 O7	437.1595	437.15985	-0.22776484	437.1594	15194	11980	15633	15021	15859	8013	1835	0	17195	26376	28898	6387	17806	9019	0	7672	6404	10841	19458	31859	29323	16624	8290	6654	0	68868	4311	30556	0	0	4941	4470	3240	2960	35993	0	5951	3459	3977	21753	34046	0	0	0	0	19045	22545	0	7609	0	13711	12350	12489	0	15442	16818	6818	7409	6369	6814	5451	17319	17222	11556	7165	15394	10349	6871	82600	64753	96818	5898	3883	0	0	4520	0	4305	13929	13771	9743	13120	5900	18968	20181	10350	11961	7291	6685	6676	5690	5984	9138	24203	24379	0	14147	16731	13101	20982	16604	5302	3535	6341	9265	4205	12426	0	7532	17643	Phytochemical	0.28	0.96	0.0
20	C25 H24 O7	437.1595	437.15994	-0.14963818	437.15942	51047	58176	67434	50936	57064	37026	22371	32565	52560	131946	118642	19162	58903	43731	29046	35289	28620	50560	66795	135142	140064	63460	31461	40960	28144	296355	19081	108200	24620	24437	26867	26581	32130	30182	159279	29594	38113	24536	28092	91747	106077	28893	1803	0	0	62597	71662	0	29964	24537	66246	62579	38912	0	53127	53422	29565	36507	27639	27582	37380	59937	65091	40302	29861	52935	38463	30859	232176	259667	360180	26833	24458	12411	21854	24745	0	19851	51900	52989	41935	41304	30348	92325	56373	35612	64770	29937	27916	47026	49768	50752	46331	59197	64355	0	58316	52424	51877	53128	49552	37222	24691	39903	42319	33250	44754	0	32289	60662	Phytochemical	0.28	0.96	0.0
18	C25 H24 O7	437.1595	437.15997	-0.15541516	437.15942	40903	41472	36606	38080	32426	20150	16539	26159	29530	80630	65809	20072	31237	23823	18535	26779	19163	28770	38077	69576	62329	38223	21295	26743	17740	150288	16204	55691	19511	23354	21458	22056	24551	16854	82220	25394	21935	22794	26126	50648	58049	19112	720	0	0	30851	45663	0	25698	24580	33768	39135	24281	0	27576	26993	18200	32110	17920	22942	26761	33386	35019	24157	19453	33388	21606	26088	119687	145118	203795	20797	16442	17525	17047	24872	0	16690	36478	31261	29511	32332	20016	43850	30934	20729	34408	17722	22939	33378	32064	23676	34639	37934	38302	0	42722	24772	35100	33962	36254	25816	16409	28868	25409	24157	28283	0	25267	33766	Phytochemical	0.28	0.96	0.0
22	C25 H24 O7	437.1595	437.15994	-0.1555098	437.15942	59098	63536	50481	60954	67053	40544	13720	25223	60759	143806	150536	20111	56201	52719	24356	30508	22647	61327	65424	133333	154547	66264	30313	40801	27925	333257	19019	129537	26311	20578	24625	25153	26784	18565	175334	22742	33990	20833	26184	99084	112331	26339	0	0	0	69096	82945	0	29360	25801	58976	59890	48987	371	47350	56564	36276	34157	25196	26647	30619	67623	64949	44903	34604	74133	48208	22253	290008	312977	398424	24609	19879	14043	11712	28358	385	23637	54455	54344	43972	56858	28194	76409	75958	37120	52796	32677	36390	35521	35761	44048	47447	79810	76141	0	56175	61747	66916	60078	54450	30140	21216	36544	53891	33938	50748	0	29416	65318	Phytochemical	0.28	0.96	0.0
24	C25 H24 O7	437.1595	437.1599	-0.18411593	437.1594	36926	34744	32888	36326	38809	24252	8055	12770	32696	80464	92310	9273	52202	24595	15083	11892	11927	34421	45632	92809	80501	43114	19924	20302	9991	203071	6769	84696	9205	9044	12408	11128	15586	8883	113272	6335	15507	12658	11515	63166	73719	17211	0	0	0	42925	56025	0	12560	10471	36138	35762	27083	0	30610	32047	22071	14022	16036	13576	17015	50261	42550	31000	14954	48234	27780	9998	192578	177405	216475	10861	9449	5781	6925	13186	0	11127	31046	37315	24886	38372	10493	62449	48678	29826	29893	18855	19689	18407	15578	22822	18287	48081	51522	0	33964	33959	34443	46399	43440	14870	8135	24131	33879	14476	34202	0	15365	36871	Phytochemical	0.28	0.96	0.0
14	C25 H24 O7	437.1595	437.15994	-0.27350894	437.15936	7094	7417	8954	6489	3765	3887	4212	5841	6202	8854	8687	4630	2421	3606	5644	6644	4377	5422	5636	13811	11791	9697	5040	7958	4319	19560	7109	0	5101	7173	6771	8162	5312	3602	13996	10263	7371	6229	7795	6542	10147	2890	0	0	0	6986	9788	0	7307	5933	5999	7710	6176	0	4938	4200	4811	10562	0	6659	0	5165	3280	2433	2243	5012	4619	6619	17544	12302	22749	4613	5701	3043	8028	6673	0	4983	8720	0	6614	6179	7687	7811	6544	3380	9253	4336	2093	14176	5598	6669	9773	6802	7401	0	8453	7983	5944	5179	0	4648	6786	9163	0	4312	4139	0	6342	2520	Phytochemical	0.28	0.96	0.0
24	C22 H28 O7 S1	437.16284	437.16333	0.043527965	437.16287	16889	15027	34130	19431	30522	13215	3829	7591	13954	53890	20272	4453	19005	4959	9077	10632	17480	29456	36826	62366	53415	33046	6292	24718	15928	35182	4583	25310	7078	4069	6363	7597	7195	6166	62439	4763	26374	13276	8018	42788	25079	5544	0	0	0	41610	45890	0	4713	10704	17870	42480	12398	0	20516	21948	5049	11825	15871	8049	9341	32517	10507	8594	6197	17152	11781	14302	60278	61142	42479	4581	4237	3484	4347	5325	0	4371	8877	22692	4580	30240	13994	26877	12135	5097	21350	7042	7701	11758	38298	44388	17882	27284	53349	0	18012	18304	7260	14813	21564	9173	5242	20685	19730	10262	12023	0	8262	17529	Organosulfur	0.3181818	1.2727273	0.0
10	C19 H24 O8 N4	437.1667	437.1672	-0.1989488	437.1666	11385	10370	9781	5775	5515	3706	8401	16066	5205	7114	0	8884	5506	0	10718	13101	8400	7057	9714	8144	5457	16097	9888	15169	9682	0	7354	4115	10674	8770	10022	12851	12224	11445	8830	10442	13314	8679	10711	10289	8530	4105	0	0	0	10542	8067	0	10961	10406	10558	8205	5706	0	8584	1872	3937	17114	14993	7344	11549	6571	5480	3662	3951	5089	4979	12361	0	0	0	10705	10046	7480	9965	8559	0	7741	8545	0	9289	3448	8218	2679	4718	4195	11435	6683	6657	21384	12226	15684	28746	5322	4615	0	8633	9148	4083	3033	3509	12981	6803	8403	0	11036	3287	0	12601	6710	Peptide	0.42105263	1.2631578	0.21052632
6	C19 H24 O8 N4	437.1667	437.16733	-0.20691764	437.1666	12286	12262	10148	12473	4737	4116	8509	14996	6527	6510	4252	10431	8808	2295	11986	17804	15976	8556	11727	8308	10117	18033	12576	16596	7806	0	7587	4471	13750	11741	12422	13323	16892	10269	9098	10203	15285	11916	16657	8271	10792	7236	0	0	0	14238	11565	0	15232	13403	11882	12212	5098	0	8720	3580	5051	19087	10579	11560	16452	7194	6982	5614	4418	6735	7149	15189	2348	2263	0	11902	11827	11816	8034	9912	0	7578	8609	9594	7283	5880	7212	3429	5421	6302	7754	8219	8260	26194	14019	18238	31862	6072	9213	0	11881	12132	3918	3957	3774	15991	7739	15163	9712	16927	4065	0	9600	9452	Peptide	0.42105263	1.2631578	0.21052632
8	C19 H24 O8 N4	437.1667	437.16727	-0.23738168	437.1666	15313	12811	9694	15368	4203	4934	10112	19056	6230	7513	4268	8545	8521	2402	10968	19592	13470	5575	8994	10835	9501	20589	13691	18987	7701	0	8317	2188	10404	11621	12360	15123	13530	11725	11689	11709	15619	11866	17157	9700	9998	6573	0	0	0	13481	11567	0	17869	11622	12827	12760	5886	0	10211	2934	4446	16771	12938	10020	21239	8593	7932	7709	4825	5004	7952	17621	0	2737	0	12748	13934	11043	7374	9476	0	8893	14504	6722	10663	6194	9762	3694	5362	6101	13504	8065	7963	26773	14915	21801	35849	7492	6543	0	16301	10353	4041	3758	4129	12106	9428	15863	0	16937	3829	0	10671	8795	Peptide	0.42105263	1.2631578	0.21052632
22	C22 H28 O9	437.1806	437.18106	-0.13304025	437.18054	342646	315444	308512	329859	277517	290250	148899	354098	350365	705157	244536	170507	393702	181820	309992	259901	117809	495939	368209	613544	555390	346445	274038	332593	282830	327084	120595	207283	327724	255661	321494	301333	339384	261374	715295	292976	403319	228422	148203	374205	180174	168243	11779	4316	2172	344552	204024	0	327676	274310	318139	315918	233717	3505	454880	229430	150919	294284	299882	103833	281228	255190	434577	346031	127646	306779	211496	134366	270608	752878	398214	327548	263392	291044	143882	262004	2108	253878	273869	122451	265285	200493	194588	205058	270255	173176	246560	148193	211184	148847	316573	381890	381929	164562	281368	4907	289372	313731	213925	226136	195429	274745	197532	309160	205771	282478	205754	2857	203116	529807	Phytochemical	0.4090909	1.2727273	0.0
8	C22 H28 O9	437.1806	437.1812	-0.2212938	437.1805	110954	97263	111487	93011	42768	47805	112387	174524	74287	157650	49177	64427	71421	14364	79518	186690	126817	70395	101620	195809	236848	189898	111787	213274	82735	45426	110764	51717	177607	167304	138978	123885	138635	111557	202913	153479	101310	75719	181352	143137	162667	73715	1520	760	1452	161596	150236	912	182510	155590	140058	135972	62915	986	95375	36423	50853	146086	135458	145357	130444	76617	81955	69888	15290	59707	63955	198295	37718	63225	83512	151867	119317	149770	123962	153231	900	100523	157917	43014	116289	93526	139985	100187	72026	15788	129024	52518	45610	192864	31916	115874	226943	68602	88002	1630	145633	127297	39270	65843	48063	150027	112282	225622	64085	133525	18908	700	110234	72427	Phytochemical	0.4090909	1.2727273	0.0
16	C22 H28 O9	437.1806	437.18115	-0.096641205	437.18057	2160860	2188818	2115534	2185188	1406386	1243672	1380640	2314882	1728688	3974190	2142464	1405012	871354	422195	1908598	2175196	1408916	1973486	2251362	3961970	3599176	2158026	2005814	2473210	1593478	1454125	1244608	869288	1985588	1937314	2135546	1140826	2201368	1702708	4402230	2089016	2122358	1585928	1660916	2581196	1850408	585400	18570	3661	2961	2020470	1675568	3638	2330144	2055808	2234880	2181840	1325244	4529	1050354	649867	980018	2330826	1887878	1318148	1092219	1680840	1015712	1633744	399580	1635718	1328228	1425142	1209216	4519902	3424758	2209086	2092766	2193424	746703	2081042	1718	1535230	2003202	575220	1694194	1434300	1687566	1756192	792757	511309	1775374	1100856	1312438	893139	861672	1940080	1405231	1207162	1768882	8938	2065214	2139682	640406	577742	611093	2136034	1284532	2247434	569126	1047599	630211	3622	1601268	2110794	Phytochemical	0.4090909	1.2727273	0.0
20	C21 H28 O8 N2	437.19183	437.1923	-0.14510769	437.19177	1182619	1330024	1186155	1052157	902117	890651	597043	1283804	1144172	2636801	945794	653495	1390479	619015	1093262	1117815	538227	1402174	1478557	2516311	2138417	1329253	1032221	1308107	1006289	1555344	580019	921142	1212933	1001359	1078656	1072208	1249464	1039908	2956346	991629	1422423	834708	598076	1567243	883150	720497	26984	5578	2667	1248629	767330	4562	1096546	1001994	1211616	1155770	809969	5671	1472127	804016	546805	1201724	1198123	519208	1065859	983553	1342494	1079405	450228	1020936	780013	665514	1227670	2677776	1835839	1188693	1077567	1187512	606441	1000828	2519	882729	962849	578137	838131	690828	818153	934871	840831	607908	836424	587571	750512	805126	1254924	1353931	1495209	676758	983665	10399	1257542	1230124	749831	659546	642556	1131289	734917	1290916	714428	1083825	684851	4821	816616	1591301	Lipid	0.3809524	1.3333334	0.0952381
28	C26 H28 O6	437.19586	437.19632	-0.17862576	437.1958	7068	6796	8025	7012	8889	4731	3520	5774	8286	10236	12854	2664	8265	4998	3472	6802	6473	6107	10233	11158	11436	8101	4737	5357	4165	38604	2979	11515	4625	6613	5117	6870	6092	4450	15027	6724	4126	4030	5438	8342	14540	4462	0	0	0	8886	8138	0	6084	6279	9654	9699	7865	0	7631	7712	3724	7372	3575	4649	6437	6976	8722	6782	3896	12733	8690	4649	41413	29446	47147	4069	3105	3626	2768	3770	0	3010	8293	9211	5963	6492	2885	11023	8687	4888	9869	4884	4764	9950	6330	5931	6961	9158	8264	0	8317	8966	7961	12442	14866	5270	3183	5569	6654	5091	7131	0	3584	8772	Phytochemical	0.23076923	1.0769231	0.0
4	C20 H28 O7 N4	437.20306	437.20374	-0.14873566	437.203	3532	4692	4486	4358	1146	4454	2185	4078	1901	2260	0	2781	1701	0	4278	6171	5050	2373	2627	2042	1762	6723	4632	4486	4772	0	2963	9134	4137	2063	3297	3684	5208	3047	3344	2974	3200	3563	6341	3193	2233	2041	0	0	0	3055	2848	0	4415	4000	4790	5024	1970	0	2822	948	827	6047	3024	1888	4756	1398	1296	1551	1170	2441	2126	5332	0	0	0	4622	2199	3499	0	3190	0	2981	3265	91352	2335	1902	2979	1369	1252	2055	3505	2389	2387	6556	54372	17937	11211	8299	3413	0	3873	6042	1271	975	945	5073	2405	4224	0	3485	1172	0	2611	2025	Peptide	0.35	1.4	0.2
12	C20 H28 O7 N4	437.20306	437.20364	-0.060154364	437.20306	3273	0	0	2373	1516	2113	4484	5594	1743	0	0	2466	1939	1511	6412	3242	0	1864	2387	2143	2329	0	4224	0	5986	0	0	0	3481	3761	4594	0	3353	3410	1693	4564	4775	4259	6785	0	0	1440	0	0	0	3727	0	0	3111	4663	0	0	1407	0	3016	0	930	7397	0	0	0	0	0	0	0	2052	1902	0	0	0	0	3984	5947	3959	2229	0	0	3381	3141	52226	2947	2306	2746	1861	1610	1543	3749	1632	1859	11541	107866	25534	8680	7654	1736	0	3305	0	0	1211	1317	4474	1758	0	0	5963	1179	0	4972	1173	Peptide	0.35	1.4	0.2
6	C20 H28 O7 N4	437.20306	437.2037	-0.20014349	437.203	9333	10585	11403	9608	2651	9391	5758	9858	2064	5476	4044	3867	3312	1334	9900	14531	7384	3212	5255	5514	6121	9882	6026	11323	7184	0	5406	31243	10476	6733	9495	9981	11734	6919	7026	8870	9322	6489	7785	4142	3961	3721	0	0	0	5155	3976	0	12457	7868	10760	11652	2397	0	3785	1842	2317	11695	4230	4737	9385	4359	2777	3731	2452	5103	3395	8547	0	0	0	6886	6876	6669	2783	7112	0	4738	5747	173695	4314	2967	5101	2359	1507	1951	5483	5035	4952	12755	251078	84533	21811	23489	8184	0	11959	9676	2907	1328	2492	8876	5938	8726	0	10048	3043	0	8181	3666	Peptide	0.35	1.4	0.2
10	C20 H28 O7 N4	437.20306	437.2036	-0.093678914	437.20303	8592	8167	7009	5058	2348	1947	4508	7364	1944	4561	4557	3400	2020	0	4852	9207	3732	2106	2714	3933	3430	9395	6519	9307	8178	0	3946	8137	6115	4935	4461	7864	8403	4549	3060	6769	8112	3870	4803	4061	0	2858	0	0	0	4352	0	0	5232	6558	10124	4003	3047	0	1783	724	0	7932	0	2993	0	0	1367	1598	3523	1511	2999	8230	0	0	0	7170	4214	6118	3927	3671	0	3955	5028	73122	4693	2643	3977	1480	0	2246	2856	2276	2918	15160	114111	30237	13262	11813	4482	0	7769	5188	0	1640	799	7078	4109	6487	0	6328	1521	0	6566	1775	Peptide	0.35	1.4	0.2
8	C20 H28 O7 N4	437.20306	437.20377	-0.17297037	437.203	12423	11327	10750	13303	3124	7492	5436	9174	2124	5083	6093	5140	2694	0	8155	10235	7555	3179	4342	3814	2362	13641	6002	13044	7800	0	6084	36126	7408	5905	9459	9634	11021	8452	3506	9039	9620	5379	7947	4837	3040	3521	0	0	0	5329	4223	0	10811	7154	10210	14567	3625	0	1625	737	2562	11989	4607	3771	8979	1740	2490	3007	0	5043	2306	10279	0	0	0	7351	7142	6264	3841	8162	0	6343	5519	209743	4552	0	5304	3850	1526	0	6740	4643	4325	15661	402342	138057	19533	33527	12608	0	11079	10692	1917	1128	0	9096	4995	8775	0	9475	0	0	6855	3532	Peptide	0.35	1.4	0.2
20	C16 H29 O3 N8 S1 Na1	437.20538	437.2059	-0.044266097	437.20535	57000	45129	56664	69124	37344	41611	34652	41050	34000	88056	57953	24597	42483	36216	44270	51340	32640	43352	52009	139873	114889	52202	49958	65479	34756	77328	27172	67667	63279	43149	41099	53676	56972	47441	124838	58520	69742	46044	32379	76718	43376	30984	0	0	0	51640	38084	0	59579	38480	48756	50440	44069	0	64533	28053	36086	60719	63918	30398	49243	38075	46013	55035	21043	56468	43356	41944	84133	140827	80828	31548	39268	44205	51758	58174	0	45164	44982	27344	25404	24328	43372	41188	28269	28412	40676	29318	39088	30744	68664	47792	68038	34296	49416	0	64360	56380	33778	35699	35395	57840	45331	50116	32643	51788	33337	0	46492	77371	Peptide	0.1875	1.8125	0.5
8	C22 H32 O7 N2	437.22824	437.22885	-0.182856	437.22815	16349	14840	14503	17602	7602	9936	8808	22168	6504	25655	6866	10114	11657	4056	13802	24474	12890	8616	12854	33869	22406	28679	11828	26712	16190	6888	10103	13110	18816	16861	19303	21660	27531	15502	27381	20666	23754	11070	16378	19470	10359	7104	0	0	0	15990	13186	0	21025	15081	18659	19522	8859	0	10857	3383	4106	22618	3139	2933	22010	7773	7129	9214	3460	8093	10936	15497	4167	15285	9462	20938	15819	14519	12332	17144	0	10427	13151	13626	9577	5993	4597	11291	4057	4542	12812	7926	9065	27047	38309	28930	42293	10378	20752	0	15760	14810	3426	3403	3662	21003	11176	25871	0	20562	3235	0	13479	8551	Lipid	0.3181818	1.4545455	0.09090909
10	C22 H32 O7 N2	437.22824	437.2288	-0.23043078	437.22812	18290	22036	15673	20175	5115	11480	12626	22840	6558	18838	8067	9742	4362	5258	12912	17320	13705	8536	10876	25458	17449	20656	12924	25382	20256	5239	10295	8086	27588	18223	18444	24191	27385	21039	26669	18713	33715	11123	13403	24907	9374	7975	0	0	0	21210	11235	0	25513	14205	18372	15527	7895	0	10276	4083	2934	25634	4871	4661	18661	8555	6182	8059	4090	9328	8188	18266	0	13802	8768	23483	18137	17807	12173	12767	0	11551	13035	10318	10255	4408	6708	10104	2889	5101	13528	6587	11384	27120	38881	30914	43366	9662	17240	0	15027	14244	5036	3271	3225	22252	9750	25506	0	19812	3672	0	14477	7461	Lipid	0.3181818	1.4545455	0.09090909
18	C22 H32 O7 N2	437.22824	437.22873	-0.2298665	437.22812	15259	15792	16828	18971	4569	8600	16467	25205	5834	10864	4231	11999	3169	6329	16021	22895	15400	13424	18376	19035	13105	15889	13806	26874	23060	4764	11564	6024	24654	18466	21751	35592	26877	18384	18139	27695	29848	15389	14179	12938	9237	10597	0	0	0	11746	6433	0	27257	15287	13876	11456	7032	0	10063	7702	5035	24842	15803	9233	23569	5949	6637	7697	5937	11432	9959	22811	2532	5025	4994	15651	18726	18879	18923	26800	0	12163	15813	9517	11630	9886	14526	10169	4155	4624	13057	14169	11540	27514	38712	39190	41717	11069	20783	0	17259	16634	2853	2930	5113	33357	9957	22925	5425	22310	5481	0	14958	5479	Lipid	0.3181818	1.4545455	0.09090909
14	C22 H32 O7 N2	437.22824	437.22873	-0.21026461	437.22815	13356	13091	12691	15463	4346	6050	11826	21753	4958	15260	8646	10039	2585	3761	15920	24217	12021	6592	14261	21777	12981	22290	12519	20742	21138	4430	12391	0	16492	15858	18002	14134	25745	18160	21708	19970	25696	12602	17916	17005	15658	6927	0	0	0	13070	11487	0	22604	18463	16598	13079	5198	0	10557	3244	3827	18723	18075	8961	0	6225	5207	6472	4227	6026	8486	17223	0	13524	6588	16820	15099	19356	18112	16875	0	13552	9616	0	10544	8051	13393	6630	4725	4568	15584	9355	9241	32683	29509	27316	38728	9253	19278	0	15578	12749	4793	3530	3837	20586	13556	20722	18800	21474	3676	0	16917	7519	Lipid	0.3181818	1.4545455	0.09090909
20	C22 H32 O7 N2	437.22824	437.22873	-0.15189175	437.22815	94259	102992	103429	96897	75618	44458	79596	111592	75491	57033	46445	69798	50205	52280	99464	139560	127896	56979	80912	74122	71600	86940	72907	121709	90214	136447	83824	63239	100369	100969	91599	103033	130498	79069	82783	105844	120043	85386	139569	74504	85971	52185	1039	0	0	55200	77943	0	107985	89710	88366	99034	69447	286	70504	59502	49997	129266	66018	73863	115415	46815	60254	67339	42301	62438	61868	158256	102272	113692	178247	70495	80350	81423	101893	96313	0	73804	119884	70423	97844	49304	76832	50142	81298	62740	139479	68519	68364	166219	147449	133722	163311	61825	69571	0	87884	102842	57936	85886	75223	125320	66546	115589	44321	95737	70298	0	104475	55579	Lipid	0.3181818	1.4545455	0.09090909
12	C22 H32 O7 N2	437.22824	437.22882	-0.17023551	437.22815	10017	9749	8689	8530	5594	9304	16417	19985	4702	8436	6603	4941	5262	5817	11216	16880	13757	6777	11223	19311	18406	18817	12488	13337	17265	4958	10111	0	20659	13722	14344	17243	24015	13351	18725	15588	20628	12234	15376	12220	8151	8357	0	0	0	11733	9992	0	15628	11968	15161	8556	9146	0	6407	2138	4040	18326	0	0	0	5797	6998	4717	3538	7748	9185	18741	0	10138	5314	12177	11724	13333	8173	16413	0	12310	10140	0	10895	5642	7612	7147	3629	4765	16236	7955	9104	22451	28675	22596	30571	6963	14211	0	10392	14632	4743	4173	1394	13184	9057	15541	0	14223	6694	0	12385	6531	Lipid	0.3181818	1.4545455	0.09090909
12	C21 H32 O6 N4	437.23947	437.23993	0.008868825	437.23947	0	0	2442	0	0	2238	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1860	0	0	2449	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2931	0	0	0	0	0	0	0	5965	14637	0	0	0	0	0	0	944	0	0	0	0	0	0	0	0	0	0	0	0	130736	0	0	0	0	0	0	1540	0	0	0	120668	23996	2871	11956	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1156	0	Peptide	0.2857143	1.5238096	0.1904762
10	C21 H32 O6 N4	437.23947	437.23996	-0.2620165	437.23935	6480	6778	6286	5093	917	6487	1281	1695	0	1041	1624	0	0	0	1390	0	0	1186	0	0	0	0	0	1488	1157	0	0	115524	1047	1373	0	1219	2681	0	0	2294	2541	1505	1293	0	0	1628	0	0	0	0	0	0	1261	0	6324	6603	0	0	0	0	0	0	0	0	0	0	0	0	0	1331	0	2005	0	0	0	0	0	1070	0	0	0	956	0	471066	0	0	0	0	0	0	1492	847	0	4562	548685	122789	4377	34762	3728	0	8885	5922	0	0	0	1974	954	0	0	1486	0	0	0	0	Peptide	0.2857143	1.5238096	0.1904762
4	C21 H32 O6 N4	437.23947	437.24023	-0.18216708	437.23938	1559	1582	1549	825	0	5110	0	910	377	0	0	509	274	0	1095	2266	848	277	0	0	0	0	678	909	1037	0	0	25242	1099	0	0	1470	1271	0	0	1200	1768	685	1164	0	0	1219	0	0	0	0	0	0	0	832	1743	1204	0	0	415	0	299	1479	0	0	1476	0	299	0	0	0	437	0	0	0	0	713	826	445	0	0	0	690	481	54636	404	0	0	0	0	485	1045	0	476	2132	91184	19562	2970	3482	0	0	1154	1893	0	0	0	0	0	0	0	1649	0	0	700	0	Peptide	0.2857143	1.5238096	0.1904762
8	C21 H32 O6 N4	437.23947	437.23996	-0.31133536	437.23932	6927	9580	6066	7040	0	8829	872	0	0	0	3318	1145	0	0	2231	4626	1777	1109	0	0	0	2321	1030	2066	2467	0	894	66495	1404	890	1893	2356	3315	1265	0	1566	3590	1263	1105	0	0	1813	0	0	0	0	0	0	2144	1253	6245	6481	851	0	0	0	703	3430	0	0	0	0	0	0	0	0	954	1271	0	0	0	1354	0	1154	0	0	0	1389	1338	386543	0	0	0	0	0	0	1744	1026	966	3149	478674	161547	4491	29664	6649	0	8828	6201	0	0	0	2703	1099	0	0	1966	0	0	1590	0	Peptide	0.2857143	1.5238096	0.1904762
2	C19 H36 O9 N2	437.24936	437.2504	0.17027299	437.24942	756	744	0	0	1688	0	0	0	313	360	0	0	4565	448	321	0	0	3071	2752	0	0	0	380	895	0	0	0	14702	1316	0	0	1191	693	916	0	1319	1335	273	0	0	0	0	0	0	0	0	0	0	0	0	608	0	881	0	678	0	0	0	0	0	0	0	1220	364	0	2875	0	727	0	0	0	733	0	0	1240	0	0	0	579	59389	0	1398	0	0	0	257	534	533	379	1001	18441	1363	0	1362	0	0	1472	818	0	0	0	0	0	0	839	965	0	0	385	2046	Lipid	0.47368422	1.8947369	0.10526316
18	C24 H36 O7	437.2534	437.25385	-0.20891134	437.2533	107744	108198	89658	101124	80864	66968	157394	113766	62074	58212	62978	88336	76168	101378	93356	143724	185670	76192	122028	76402	71114	83978	82302	95580	86446	69922	144748	54880	128006	126142	95466	140750	131864	94240	62994	153102	105490	86890	194310	34522	44470	73290	9572	3156	1154	58516	56144	4404	126064	96800	105556	109730	68422	1722	107426	104194	71882	139148	82816	113717	116952	36782	105960	82632	57620	89030	102150	210640	45992	47776	70600	67652	80066	131710	204124	130358	1112	66758	140850	54758	101608	42404	127236	83252	128482	86212	148312	61194	69214	172786	100980	103122	128072	48828	52396	4970	115340	98862	81200	131528	125830	154456	84514	178304	58296	89198	85648	4296	104570	74420	Lipid	0.29166666	1.5	0.0
16	C24 H36 O7	437.2534	437.25385	-0.28756845	437.25327	17159	20926	18020	19036	11842	8795	25908	17692	12610	7314	8182	18108	10552	7456	18226	26663	40157	9747	13498	7540	7885	10140	14445	20939	15064	6730	30615	8245	20317	22361	20240	23573	14264	12508	6191	20670	19002	15629	49351	4264	9411	10844	846	0	0	6154	9031	0	24350	16756	18876	14319	13080	0	15425	18163	10416	27146	7664	14061	21910	1978	10884	13419	10300	12400	12623	47043	7850	3947	9374	8306	18208	25210	37206	24582	476	11671	19960	9410	17837	7611	21509	7429	24536	13084	31247	9429	11284	40291	8340	10721	0	8675	7715	0	16460	14827	9597	19279	30623	23496	13698	17637	6398	16335	18086	0	18249	9170	Lipid	0.29166666	1.5	0.0
16	C30 H32 O1 N2	437.25873	437.25964	-0.5139359	437.2585	0	1899	0	0	0	0	0	0	0	0	1691	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20010	3927	0	1417	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6471	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1847	0	0	0	0	0	14098	29598	0	0	0	0	0	Phytochemical	0.03333333	1.0666667	0.06666667
16	C21 H40 O9	437.2745	437.2753	-0.23186569	437.2744	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	246	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2107	0	20869	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1119	6354	0	0	0	0	0	999	0	0	0	Lipid	0.42857143	1.9047619	0.0
22	C25 H40 O6	437.28976	437.29016	-0.22621259	437.28967	14734	15929	13714	19992	14259	6323	78591	13384	6874	6525	9940	9967	8939	17467	10722	31864	33770	8700	17860	5636	4421	6094	6148	8089	16593	18428	65904	10062	23213	15682	12488	18383	24326	12996	2374	24246	20678	9849	41839	3651	8856	9902	0	3631	987	4059	8277	0	19067	12415	21723	18721	16041	477	10786	13998	8597	22891	3615	9778	22085	2696	15022	6853	16444	17004	18774	43623	2459	5132	9544	9300	15151	15938	30486	17346	0	9457	10267	9277	9278	6174	60628	46964	15910	17292	26599	14202	15901	46495	20623	12343	11188	2842	5446	4119	13344	18105	7664	19491	25322	24362	12216	10138	7821	14057	14203	2737	14575	7939	Lipid	0.24	1.6	0.0
28	C25 H40 O6	437.28976	437.2902	-0.17978212	437.28967	9085	7117	10058	8606	8713	5039	43481	14315	7896	6292	10203	5474	8757	9139	7807	8452	11872	9134	13396	7042	6812	5127	6012	4893	13176	7225	37381	17154	13265	12111	9787	13305	19782	8760	12011	16633	15538	7369	14810	6613	5596	6929	1446	1669	0	7158	3622	0	10937	10633	9594	9168	10257	0	8960	9964	6701	14544	30530	4248	11456	18943	7917	7663	8940	18055	19312	15395	5670	6282	4203	4562	6446	13018	4672	11886	0	5623	7950	12469	3473	9280	13908	10105	12580	7914	18966	7398	7094	10872	18156	24068	6828	7847	4506	2260	10553	9146	6543	12701	19865	20981	4410	14741	34461	11076	7691	1506	9969	5623	Lipid	0.24	1.6	0.0
18	C25 H40 O6	437.28976	437.29034	0.3648832	437.28992	2160	1912	2372	0	0	0	1863	4263	1116	0	0	983	0	0	1944	4152	0	0	0	0	0	0	0	0	0	0	1576	0	0	2676	0	0	0	0	0	0	0	0	3481	0	0	0	1724	0	0	3096	0	0	2010	2059	0	2338	1678	497	0	1197	1118	1637	73602	16355	2701	4342	0	0	1810	0	0	3293	0	0	0	2249	2079	4338	4651	0	0	0	0	0	0	0	1730	0	0	0	1393	0	0	2381	0	0	0	0	2786	0	0	1870	0	0	0	1395	0	65782	161776	0	0	0	1339	0	Lipid	0.24	1.6	0.0
24	C26 H44 O5	437.32614	437.32632	-0.34439406	437.326	1587	3182	1894	1383	0	0	53324	0	0	0	0	1219	0	9313	1295	0	5077	0	0	0	0	0	0	0	1651	3110	43965	4085	1354	1123	0	0	1241	0	0	1704	0	1050	2556	0	2808	0	0	0	0	0	0	0	2069	0	2515	1806	1277	0	0	0	1547	1670	0	2003	2886	0	2864	0	7332	2090	4199	4933	0	1624	1215	0	936	1962	0	0	0	1083	0	4140	0	2622	11707	11234	0	0	3481	0	1139	2070	1934	1637	1442	0	0	0	0	2271	0	0	0	0	936	2506	1915	0	0	0	0	0	Lipid	0.1923077	1.6923077	0.0
28	C26 H44 O5	437.32614	437.32654	-0.25692442	437.32605	2572	3484	4259	4521	1283	2048	93581	4434	2616	1643	11685	3433	2222	12687	2864	3296	3654	0	2542	3185	0	1743	3537	0	5506	11520	66161	12684	5129	4902	1987	3994	3192	4885	2193	6932	2250	3638	5412	1448	3624	3802	1874	2241	0	3229	0	1918	3415	4254	3753	3148	2888	0	2603	4506	4005	3365	18254	5636	7366	7551	3526	1605	13457	3554	5706	2763	8684	2526	2106	1440	2752	4659	2164	1954	3290	2575	2164	11258	2113	6761	10045	9559	2474	2944	7835	2570	3350	2877	8613	6771	1743	4103	1937	0	5342	4762	3159	3547	5581	4229	3195	5729	13650	2808	2339	1575	3038	906	Lipid	0.1923077	1.6923077	0.0
24	C30 H44 O2	437.3414	437.3417	-0.1789776	437.34134	1694	1827	1394	1471	0	0	6337	3112	0	0	0	4235	0	1837	3751	3412	34112	0	0	0	0	0	0	0	7101	0	9476	0	0	3535	2096	1157	1472	0	0	3527	0	5530	31756	0	0	0	0	0	0	0	0	0	2349	4194	2201	0	1446	0	0	0	2765	1379	0	0	0	0	0	0	2823	0	0	30356	0	0	0	0	0	4075	8665	2902	0	2133	17652	1400	5724	0	0	0	1801	4683	18023	0	0	28240	0	0	2062	0	0	0	1653	1534	1051	1332	1871	3723	3525	0	0	1248	2108	0	9850	0	Lipid	0.06666667	1.4666667	0.0
28	C30 H44 O2	437.3414	437.34177	-0.29495025	437.34128	5099	2563	4019	4299	2153	3015	13552	4520	1923	0	1071	8582	0	2070	9170	5114	23558	0	0	0	0	773	5466	0	23570	0	11313	0	3986	15874	3983	5203	3462	2040	0	10530	1258	18705	18832	0	0	0	0	0	0	0	0	0	2045	12307	3683	2873	1721	0	2177	4924	4688	4680	1081	0	2028	0	0	0	3827	0	2159	24083	0	0	0	0	1265	13705	7478	5534	0	3879	33530	2296	8669	0	990	0	11125	9983	78016	1029	1447	28337	0	0	2800	1000	0	0	3069	3878	3518	13300	14405	8253	6709	0	0	3059	7504	0	22497	0	Lipid	0.06666667	1.4666667	0.0
28	C23 H48 O7	437.3473	437.34744	-0.628245	437.34702	0	0	0	0	0	932	0	0	0	0	0	0	0	2231	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1738	0	0	0	0	0	0	5759	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1001	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3043478	2.0869565	0.0
28	C27 H48 O4	437.36255	437.36288	-0.23151931	437.36243	2089	832	919	1706	0	0	29585	2260	0	1265	7993	1650	0	5276	0	1814	2682	0	0	0	0	0	0	0	2767	6938	23075	4469	2121	0	0	0	0	1165	0	2170	0	1294	1689	0	2227	0	0	0	0	0	0	0	833	2518	1279	1660	0	3538	0	3010	1707	0	0	2375	5432	2055	0	0	6786	0	1296	1283	10235	1371	1033	1139	1148	0	0	1251	0	1485	940	5391	0	3796	2234	3295	0	0	1901	0	0	1309	0	1365	1604	3008	0	0	0	0	2247	0	0	0	0	4336	3899	1112	0	0	1149	845	Lipid	0.14814815	1.7777778	0.0
14	C26 H48 O3 N2	437.37378	437.3741	-0.17898358	437.3737	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67561	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1391	0	0	3572	0	0	0	0	0	0	0	0	0	0	0	7414	0	0	6213	0	0	2078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.115384616	1.8461539	0.07692308
16	C26 H48 O3 N2	437.37378	437.37415	-0.22077657	437.3737	1650	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1790	0	0	0	0	0	0	0	0	0	0	72245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1625	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10824	0	0	1297	0	0	0	0	0	0	0	0	24797	0	0	63692	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.115384616	1.8461539	0.07692308
18	C18 H15 O12 N1	438.0667	438.0673	-0.0405559	438.06668	2939	4093	2171	3613	8635	4780	0	0	10094	0	1652	942	27927	3441	2503	0	1891	7933	11030	0	6790	10608	1874	1943	0	0	0	0	0	0	0	0	0	0	0	0	2491	1937	0	0	2830	3814	447	0	0	4086	11970	390	0	0	4565	1995	5040	0	11827	16003	4855	0	0	0	0	4216	24771	19929	5851	10556	4223	0	0	0	0	0	0	0	0	0	0	0	3598	9209	2787	4417	0	0	20785	4778	1800	2547	3749	2390	0	2827	2767	13404	9854	0	5382	3080	8579	12254	15441	0	1284	0	5175	0	9891	0	0	23878	Phytochemical	0.6666667	0.8333333	0.055555556
10	C18 H15 O12 N1	438.0667	438.0676	0.046085376	438.0667	4844	0	0	0	9503	0	0	0	8416	0	0	0	13074	0	0	0	0	3254	7972	0	0	4832	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1894	0	0	0	0	3000	0	0	0	3902	0	3810	0	6490	11726	2244	0	0	0	0	0	26728	13294	0	7142	2266	0	0	0	2756	0	0	0	0	0	0	0	0	0	0	1844	0	0	8418	0	0	1796	1602	0	0	0	0	4804	4202	0	0	0	6618	12440	6530	0	0	0	0	0	4142	0	0	19008	Phytochemical	0.6666667	0.8333333	0.055555556
20	C18 H15 O12 N1	438.0667	438.0674	0.14000249	438.06677	1645	2661	2666	1669	6882	4130	0	0	9651	2199	0	1156	20645	3161	0	0	1447	7640	6091	0	2706	6712	3550	0	0	0	0	0	0	0	0	0	0	0	3931	0	0	0	0	2585	3736	2942	707	0	0	3336	7624	1032	0	0	1639	1527	5600	0	10281	8268	3563	0	0	0	0	1923	14920	10142	2107	8961	1928	1635	0	0	0	0	0	0	0	0	324	0	2913	7048	1541	3641	0	0	14463	2270	2276	3571	2178	1410	0	0	2669	10418	5932	0	4077	1839	6022	13102	9830	0	1013	0	3974	2214	5812	0	0	18001	Phytochemical	0.6666667	0.8333333	0.055555556
12	C18 H15 O12 N1	438.0667	438.0674	-0.06676856	438.06668	0	3783	2617	1584	6328	1099	0	0	7210	1539	2924	0	13870	1570	1180	0	0	4399	7572	0	5419	9415	1598	0	0	0	0	0	0	0	0	0	0	0	4491	0	0	0	0	0	0	1020	0	0	0	1633	4578	0	0	0	0	2419	4129	0	11549	9027	3678	0	0	0	0	0	22212	12442	1679	9295	1292	0	0	0	0	0	0	0	0	0	0	932	2041	0	0	888	0	0	10214	1247	0	2131	2109	0	0	0	0	13861	2208	0	1792	3051	4866	8750	6589	0	0	0	0	1845	4283	0	0	19464	Phytochemical	0.6666667	0.8333333	0.055555556
16	C18 H15 O12 N1	438.0667	438.06735	0.007838545	438.0667	9474	8124	5758	4432	18884	10100	0	0	27926	0	8210	1974	47672	4872	2970	0	2948	27222	26890	0	22536	27100	9136	0	0	0	0	0	0	0	0	0	0	0	12410	0	0	2910	0	4438	18438	8108	544	0	0	3492	20868	754	0	0	12334	8014	12698	0	27466	31775	8082	0	0	0	0	7878	77214	35450	11650	28188	8132	0	0	0	0	0	0	0	0	0	0	0	5372	18442	2770	8134	0	0	38164	6152	6150	10634	4158	0	0	5182	0	38996	14974	0	7780	10268	17750	33260	33626	3790	0	0	9138	0	21237	0	2094	54584	Phytochemical	0.6666667	0.8333333	0.055555556
18	C22 H15 O9 N1	438.08197	438.08255	-0.10244836	438.0819	7483	7316	5014	4258	5233	0	0	0	5615	15463	8923	1193	4325	0	1344	1872	0	4968	5949	4069	11504	13654	3272	1231	0	8347	1599	2983	0	0	0	0	3228	0	19603	0	1784	0	0	9630	12178	0	0	0	0	7664	9177	0	0	0	4860	2794	2458	0	4476	2715	2916	2113	0	2024	0	7301	6587	3174	2768	4903	1802	2167	12569	15657	22601	0	0	0	1234	0	0	0	2967	13395	1562	8629	0	5478	4028	2996	4446	1784	1819	2829	0	3019	5040	23726	20208	0	4255	3382	3971	5442	5383	2163	0	2394	3428	0	4627	0	0	4520	Phytochemical	0.4090909	0.6818182	0.045454547
22	C22 H15 O9 N1	438.08197	438.08243	-0.14083882	438.0819	2488	2587	2567	3713	3606	1497	0	0	7351	15333	5399	1486	2248	0	0	2070	1443	5917	3045	3320	13402	13478	3077	0	1315	3565	1055	3690	0	1107	1471	0	2108	0	11947	0	0	1334	0	9839	12803	1808	0	0	0	8800	20315	0	1379	0	4185	3994	3919	0	2587	2977	3155	1657	2061	3084	0	4775	5928	5326	2179	2291	2775	1672	8529	5859	14364	1565	0	1184	1653	0	0	929	4046	12008	3720	5987	0	6534	7754	2943	3671	2500	1814	3683	1878	0	3490	20088	19084	0	3920	1602	4845	5066	6261	0	0	0	6963	2348	4322	0	1394	6233	Phytochemical	0.4090909	0.6818182	0.045454547
20	C22 H15 O9 N1	438.08197	438.08246	-0.12441216	438.0819	4688	2737	3718	4315	2919	3301	1712	0	5610	18115	7158	0	4300	0	1376	0	3097	6029	7020	2964	16130	14783	1703	2125	0	8262	1483	3797	0	0	0	1598	2568	0	22060	0	0	1825	2281	8893	16219	1843	0	0	0	7147	11055	0	0	0	4002	6256	3526	0	5195	5089	2336	2505	1838	3161	4376	6545	9471	3960	3337	4175	4390	1323	11426	9900	25217	0	0	0	0	0	0	0	6644	18016	2648	6803	1233	10511	7821	2282	5795	3858	1983	3340	5428	3209	4434	26035	26178	0	4922	3634	4877	7411	6869	0	0	2259	4852	2343	2629	0	0	9500	Phytochemical	0.4090909	0.6818182	0.045454547
20	C19 H19 O9 N1 S1	438.08533	438.08588	-0.010915896	438.08533	2854	5347	4169	3073	2876	4253	0	0	4032	17616	6194	0	5408	2099	2918	3169	1318	6784	3635	7173	7416	21485	2138	1585	2004	6286	0	2706	0	0	0	0	2610	0	16405	0	1592	0	1454	14159	7745	1689	0	0	0	6117	9802	0	0	0	3900	2976	2985	0	5340	2494	2371	1958	0	2759	0	8739	4559	2369	1803	4427	2063	2326	4837	7706	6145	0	0	0	0	0	0	1232	0	12416	0	3491	2841	0	2829	0	1743	1404	2260	0	6330	5715	0	21185	20788	0	4566	3459	4434	2213	2892	1971	0	1556	5529	0	3865	0	2247	7804	Organosulfur	0.47368422	1.0	0.05263158
10	C19 H19 O11 N1	438.1031	438.1037	-0.10072584	438.10306	47918	45936	40301	40219	45723	23301	14038	21512	57374	83978	69118	23965	88456	22164	19843	28731	25858	60707	66849	61305	107322	106317	30679	26968	5137	13866	13399	20393	15141	16103	15550	20690	34558	18265	115244	17812	27538	22943	27733	52500	114352	26520	1303	0	0	61933	129468	0	24936	22932	44638	42305	35714	0	72824	55718	24136	23606	24936	28950	20976	57564	104082	67360	26237	64455	31861	31926	43044	22053	46350	20097	17617	16174	22533	16965	0	17672	24039	48502	22327	41976	11816	15653	60213	23298	20426	27513	29620	34735	8082	26765	37214	103922	89237	0	46203	47602	46107	54632	51005	32880	23120	29248	79058	27120	46149	0	11308	95202	Phytochemical	0.57894737	1.0	0.05263158
8	C19 H19 O11 N1	438.1031	438.10376	-0.07649974	438.10306	22349	23674	15970	21021	22580	10928	6318	9094	29043	39481	42301	8125	41090	6366	8129	13947	10751	27352	33577	27544	52421	47901	15896	10852	2024	2930	4967	5256	6596	8440	7658	8140	11514	8160	53019	6365	13136	8526	16561	27898	53476	13114	0	0	0	20543	51484	0	9511	11019	18187	23618	17304	0	32091	29165	13548	12495	7290	15255	10842	25588	58931	40495	13767	30674	14201	19704	20329	9562	25380	8890	7589	6715	7950	8875	0	8338	11462	15890	10041	16388	5751	7272	30135	10628	10142	15664	14520	17960	0	11685	15539	43896	34032	0	20259	22163	27706	35084	32975	13687	9705	12368	23030	9139	22621	0	3396	54588	Phytochemical	0.57894737	1.0	0.05263158
12	C19 H19 O11 N1	438.1031	438.10367	-0.11769154	438.10303	71909	59014	55977	63239	70568	38758	26389	36226	91922	125738	107121	32871	123813	28605	34105	31752	42664	106856	109241	126548	172327	214150	49319	41010	12676	13705	17576	36974	32783	22076	31809	24372	44619	27095	201169	24777	42934	33759	49388	93651	183400	45877	2159	0	0	103457	226404	0	37369	37561	70485	63392	48601	0	109558	79739	42687	30936	39395	48017	34075	106850	176845	101362	36959	110537	43125	49187	72720	35583	72326	24705	27292	23012	34548	25748	0	34764	41619	95509	43257	96204	22776	30861	84656	43066	49578	43345	45072	61120	16478	50406	62658	169658	113676	0	69187	83782	79456	73737	80576	42370	30052	36190	168935	49071	72045	0	23925	153389	Phytochemical	0.57894737	1.0	0.05263158
18	C19 H19 O11 N1	438.1031	438.1036	-0.089053944	438.10306	50864	43681	39670	42540	56809	36586	17609	19368	69699	82830	53279	16183	146946	36250	29806	23954	23960	107718	77381	77258	91221	124706	41007	28621	12110	16008	13553	23159	21981	12462	16237	11256	29686	11313	115979	14819	24190	20001	20184	81996	66329	31247	2249	0	475	98872	134675	872	16625	15854	44928	40999	46024	367	105574	67252	39033	24531	21381	13828	28922	74918	113400	69439	35564	80080	34325	13381	49908	32621	44332	15823	15315	13012	14463	12681	667	21310	34015	89545	26370	75325	7975	31806	73189	51848	30962	26518	35344	25048	17770	38508	50305	127668	128379	713	53164	55586	53737	52499	57197	29500	18993	22559	97847	22820	55786	401	17347	127475	Phytochemical	0.57894737	1.0	0.05263158
26	C19 H19 O11 N1	438.1031	438.10358	-0.16999152	438.10303	4057	3369	3932	5085	5340	5683	0	0	8895	11101	2830	0	14262	3426	0	0	0	15202	10014	8243	9890	9931	0	0	0	0	0	0	0	0	0	0	1935	0	11189	0	0	0	0	5578	7993	0	0	0	0	12739	23388	0	0	0	5087	6919	0	0	9755	5845	3578	0	0	0	0	6263	13328	9846	0	8202	2159	0	0	6183	4423	0	0	0	0	0	0	0	2750	6584	3811	7320	0	4323	9118	0	1872	0	2384	0	0	3400	0	7591	13397	0	3002	0	4261	3433	4971	0	0	0	9913	0	0	0	0	15212	Phytochemical	0.57894737	1.0	0.05263158
24	C19 H19 O11 N1	438.1031	438.10358	-0.041296933	438.10306	8458	7760	8218	5360	15198	10520	0	3032	18462	20956	5786	2756	48602	6636	5788	3304	0	29770	20086	15706	22044	25992	12004	6200	4410	2168	0	3330	0	2478	2898	0	3292	0	17938	2672	3902	2318	0	15768	15848	4312	0	0	0	33038	56724	0	2800	2682	10228	13874	11412	0	24668	23054	8956	2300	3340	4420	3502	16592	40420	30836	4268	24924	6614	0	14606	8828	11710	2768	0	0	0	1758	0	5178	7700	13170	5960	31606	2498	4738	21036	10334	6916	4768	6340	0	3864	6190	9484	26756	29402	0	10576	10632	14620	22552	19272	0	3976	5606	33538	7054	14476	0	2482	34650	Phytochemical	0.57894737	1.0	0.05263158
28	C19 H19 O11 N1	438.1031	438.1035	-0.16386366	438.10303	4124	5196	6409	5068	6055	6383	1394	0	6519	13878	4572	1578	13963	3254	0	0	2202	11239	8179	11592	14389	12946	4691	3280	0	0	1478	1921	0	0	1328	0	2598	1127	13060	0	2048	1976	1526	6121	10740	2253	0	0	0	15498	22761	0	1083	0	5508	4478	4355	0	11234	5897	2796	1523	2447	1479	0	7059	11216	8373	2211	8740	2123	1881	8151	5918	9227	1702	936	0	0	1114	0	1432	4135	8035	3581	10752	1374	1859	9654	3464	3273	3374	2728	1218	830	2832	3000	10355	13294	0	5370	5140	4872	4949	4503	0	1347	2784	14863	3269	5193	0	1065	13275	Phytochemical	0.57894737	1.0	0.05263158
16	C19 H19 O11 N1	438.1031	438.10364	-0.12489238	438.10303	69170	77205	61466	62354	82546	45313	18387	23607	100448	135551	73462	27494	179215	35355	31755	34703	29239	135082	130040	118720	161285	165758	67729	51442	17374	19951	18024	30287	18647	24150	26030	24555	40655	18917	181948	19265	40229	33309	24812	97517	118006	51132	3013	384	426	123318	206177	651	30308	25574	72325	63380	55697	287	126400	88848	43004	38721	36902	34433	35916	105780	162276	98947	35654	98666	58083	22063	56815	36287	54553	25250	21242	18361	26264	20197	483	31065	49331	124582	35313	109529	20387	34771	95676	48001	45082	43845	50428	33484	26429	58237	65106	153440	159961	651	65198	74703	72166	79017	78659	58751	29737	41167	124745	39435	76765	0	23040	164963	Phytochemical	0.57894737	1.0	0.05263158
14	C19 H19 O11 N1	438.1031	438.10367	-0.113613576	438.10303	79630	84673	71053	69887	79958	57374	23611	38709	108321	158785	106786	36910	182487	36197	44566	41899	45434	140290	108958	117754	198102	227619	58002	41234	19064	19596	22078	45961	28278	27367	29092	37430	56275	26330	213814	29892	50271	34409	36618	106744	167799	57230	0	0	400	127944	246454	441	29430	36393	76696	66274	62597	397	138092	93596	46764	34202	49507	46941	44491	123446	181558	120452	46272	118734	60742	34448	76205	44624	72278	27212	28063	25806	31775	25412	324	31522	51545	152434	41547	108180	17793	32121	101841	59604	46400	56891	46508	56188	30049	49393	63692	214169	163689	685	77937	82362	79814	91957	98434	50260	31781	50808	168780	51459	77825	0	19331	157722	Phytochemical	0.57894737	1.0	0.05263158
6	C19 H19 O11 N1	438.1031	438.10382	-0.07985522	438.10306	6036	6289	5307	6642	9677	2072	1045	2534	12956	10400	8119	3070	18639	2587	2200	2243	3084	10088	11531	5350	13095	9623	3490	4384	696	950	802	0	1562	0	2303	1410	4168	2312	17146	3013	2992	2473	3893	5435	13805	4657	0	0	0	6243	13344	0	2871	1758	5013	5099	5537	0	12873	12003	4516	2288	1867	3529	3886	5558	24008	12793	3034	13277	4824	3298	4627	1973	5156	2016	2039	1635	2330	1372	0	1135	2256	0	1511	3026	945	2343	11509	4990	3741	4843	5181	6069	0	1855	7325	13855	10364	0	5100	5499	7805	13020	14448	5320	2222	3411	7913	2988	9782	0	1349	21415	Phytochemical	0.57894737	1.0	0.05263158
6	C18 H19 O10 N3	438.11432	438.11505	0.006574673	438.11432	5994	5259	6692	7317	4924	3088	1838	4329	10187	4230	5090	4290	12208	700	3527	4770	4530	9134	10668	4205	6249	8684	4347	3561	0	0	1889	0	1721	2295	3748	3507	4609	2032	5922	3706	5321	3849	6055	4715	8128	5517	0	0	0	4251	10346	0	4212	3237	7886	9048	4367	0	10326	5999	3570	4875	2803	4695	4729	4065	20745	12017	4337	7854	4651	8189	0	0	0	3584	3736	1994	2630	2417	0	2357	2446	0	3313	2959	1166	0	9542	3190	4750	6944	5630	9501	0	2777	11819	5301	3523	0	6217	5307	3728	7422	8711	4976	4093	4139	0	5863	3937	0	2261	20100	Peptide	0.5555556	1.0555556	0.16666667
8	C18 H19 O10 N3	438.11432	438.11496	-0.09272171	438.1143	10348	11316	9124	10412	8276	4935	2758	6764	11428	10036	8928	6522	18411	2519	6887	8068	9803	9586	15383	8175	13890	21279	9279	9125	2139	0	3851	0	5145	2907	5101	6275	7532	6176	12029	5142	7830	6106	10769	8870	16060	6987	0	0	0	8779	19994	0	7861	6329	8992	9409	6292	0	15036	9692	6057	7586	7862	11229	8430	8323	28166	13633	6727	15022	8120	13704	0	0	0	6194	4318	3926	7554	5268	0	5676	6961	4017	4871	6644	2698	1903	12073	4472	6661	9923	10453	15661	0	0	18444	15924	7146	0	12482	8801	8803	11869	10293	8666	7573	4870	7794	9022	6476	0	3002	22440	Peptide	0.5555556	1.0555556	0.16666667
10	C18 H19 O10 N3	438.11432	438.11496	-0.06957353	438.1143	8223	8909	8909	10734	8679	3845	3975	4788	14453	7730	8477	8492	16154	2507	6388	7537	10859	12054	11549	7628	12510	18496	11900	11220	3899	0	5269	0	4470	3760	7577	3819	10823	5693	8831	6116	9119	7010	9751	7436	19436	7980	0	0	0	11920	15127	0	4525	5352	10838	9078	7099	0	19027	8571	7760	9387	9873	9778	0	10621	20275	15842	4844	14699	5390	12695	0	0	3863	5219	5247	2794	7612	4432	0	7426	7998	0	7525	6663	3389	3255	10954	5172	9938	9481	10834	14812	0	6509	23947	11231	10574	0	8337	10595	6170	9134	9691	10822	7780	7007	0	8021	6619	0	3737	21456	Peptide	0.5555556	1.0555556	0.16666667
18	C23 H19 O8 N1	438.11835	438.11887	-0.124020316	438.1183	13384	10793	12186	12580	8441	6901	1742	1575	8981	46618	37592	1327	8949	6392	2222	3438	0	7611	11820	26378	33090	25383	1999	3370	1930	54880	2068	30084	0	1437	2262	0	2978	0	41150	0	2447	2501	1945	27884	36182	4041	0	0	0	19892	22482	0	2246	2054	6814	12139	8319	0	5912	7920	3739	3559	2086	5798	3515	17955	15838	9031	3494	7970	5420	3991	56048	59601	82772	1170	0	1404	2540	0	0	2430	7171	25580	6860	21279	5898	20631	6578	6045	6596	4948	4533	6541	8444	7134	4785	34663	37495	0	9602	8579	6672	8030	7793	2955	1391	2236	6785	3357	4317	0	3679	9448	Phytochemical	0.3478261	0.82608694	0.04347826
22	C23 H19 O8 N1	438.11835	438.1188	-0.1747999	438.11826	7799	5857	8068	5911	3355	3680	1753	1528	7639	27725	25585	1612	6391	0	3210	2798	2622	4182	4241	10197	21793	18687	2452	3737	3003	27663	1680	16700	1840	1768	1299	0	4712	1671	24165	0	1880	0	2562	16454	29962	4276	0	0	0	19200	30129	0	1568	1395	6697	8978	5353	0	5013	5281	3273	0	0	4629	1523	10736	8403	5059	5487	6684	4233	2598	30660	30522	51299	2793	0	0	1158	0	0	1684	6183	22184	3382	20728	3687	15767	7154	5534	5761	3916	5244	3627	3244	5156	3379	29634	24755	0	8225	9826	5716	5866	3436	3124	0	2751	14442	3097	4266	0	2724	7359	Phytochemical	0.3478261	0.82608694	0.04347826
20	C23 H19 O8 N1	438.11835	438.11877	-0.13721287	438.1183	12491	11670	9323	8903	7003	3700	3133	3668	7227	43328	33831	2214	7062	4810	3661	3764	2153	9726	6225	29259	29755	29819	2881	4737	2559	59758	1880	26365	1435	0	1598	1862	4459	1419	51784	0	4371	2877	2071	30346	35752	2739	0	0	0	18667	33392	0	1539	1504	11476	9466	7916	0	11005	6375	4358	3823	1503	5894	2307	16255	11054	9564	5882	6821	5261	3193	44406	57164	73819	1591	1813	0	0	1501	0	1788	5727	29567	5142	16187	4020	16762	9071	5804	6685	5976	3271	9599	8893	8581	5635	35524	41238	0	7239	9580	5752	7169	8631	0	1715	4706	13619	2605	5734	0	5712	10017	Phytochemical	0.3478261	0.82608694	0.04347826
16	C23 H19 O8 N1	438.11835	438.1189	-0.0739265	438.11832	6987	9787	4360	7868	3966	2907	0	0	8243	34990	20298	1419	7449	5118	1892	3328	2959	2907	5023	20975	29506	16113	2627	2592	0	38417	1829	13237	0	0	1640	0	1692	1324	37337	0	3049	1300	1868	17316	22020	1631	0	0	0	13000	18349	0	1844	1198	8872	8799	2682	0	2408	4496	2999	3189	1811	1931	0	12815	8829	4611	1912	5112	5435	2840	45020	44715	69482	0	0	0	0	0	0	1945	4826	22128	5426	10390	2987	14251	5352	4877	7151	1774	2239	0	5253	3984	0	20366	29901	0	10240	8766	7119	5707	7272	1998	1440	1850	7828	0	5010	0	1719	7814	Phytochemical	0.3478261	0.82608694	0.04347826
10	C16 H23 O13 N1	438.1242	438.12497	-0.2365036	438.1241	55212	55560	27708	52400	30458	4914	15228	25532	80798	116616	121448	27252	23938	13388	27734	19804	27616	59824	56624	159464	108724	123976	29812	26728	13124	16272	10552	21092	22788	18920	24460	20328	44091	11420	286352	32308	35000	17976	36704	86908	118652	29212	0	0	0	73732	170424	0	17620	15788	37924	72680	24040	0	58836	37414	4134	38592	25360	100704	0	65812	71795	56190	3340	40375	21160	48596	34628	38540	115656	26740	24620	19712	23388	26628	0	23467	39902	48372	19516	67425	21428	33504	36857	19131	23704	24968	26178	46760	43052	47116	59576	86576	92380	0	44956	41208	37989	40391	57964	30403	21276	55496	82716	32988	36820	0	13092	78130	Unclassified	0.8125	1.4375	0.0625
18	C20 H23 O10 N1	438.13947	438.13998	-0.11620371	438.13943	167108	161294	160019	144761	155865	127251	69151	128792	158716	382169	174710	70889	261934	0	113370	116350	65960	243701	234992	393631	346116	258574	134712	141831	93922	189097	54718	113468	110765	97787	102076	106534	122511	111126	438543	118743	137955	95201	59569	272926	183910	91732	7315	1024	642	301809	277859	1287	107633	102487	159139	152435	107701	1698	224540	158054	75752	114426	119182	64810	128276	213754	232454	163813	73295	159400	115254	64806	207724	216199	206487	0	89146	103683	81524	105207	729	83497	110922	155858	90941	202671	79635	149294	171562	113455	92816	91020	100381	68717	108059	168017	169333	183490	304023	1560	155778	173983	127729	118431	126807	119596	68319	141205	195539	103853	115984	1310	75859	233839	Phytochemical	0.5	1.15	0.05
26	C20 H23 O10 N1	438.13947	438.13986	-0.21594854	438.13937	7732	7449	7620	6361	8144	5787	0	0	8500	23272	7216	4271	16527	1919	0	0	0	12123	10882	19428	24840	8422	0	5491	0	8164	0	3620	0	0	4213	0	2896	3387	18879	0	2258	2881	0	14019	11544	0	0	0	0	11807	18739	0	4495	0	6839	5297	6494	0	11501	8272	2956	4276	2409	0	0	8474	17427	8530	3083	7813	3854	2112	12295	18172	19326	4696	2637	0	0	0	0	0	2908	0	4273	9072	2432	7519	11579	0	2404	2819	2979	0	3652	3925	4963	6678	14717	0	4928	9828	4377	6087	0	0	0	0	7829	3105	6253	0	2973	13530	Phytochemical	0.5	1.15	0.05
16	C20 H23 O10 N1	438.13947	438.14	-0.0828712	438.13943	246137	246040	221347	253330	191564	167418	113750	204985	220976	649038	282698	117173	335224	109213	168416	187608	115005	357197	336079	573636	567380	426521	193216	219593	136208	256197	101853	199461	178577	174586	177670	195323	210982	156422	809866	171593	216277	128342	112874	461781	287971	138122	9077	1098	1008	426870	405536	1150	185273	184184	252260	234309	156686	1619	285243	175346	105950	179641	214022	117889	228886	346243	317817	207205	89952	218185	164925	103558	309010	355418	302246	182965	157165	176279	122776	161468	1060	129258	155386	258332	122037	304705	135165	253731	215084	137153	134401	121818	139652	159862	174448	255602	307152	301892	454339	2175	239111	273020	162068	134049	155163	197743	114329	210270	281357	222786	179567	1203	120611	322177	Phytochemical	0.5	1.15	0.05
12	C20 H23 O10 N1	438.13947	438.14008	-0.082581095	438.13943	220159	225142	224297	223535	132290	116966	139000	222365	191024	565091	313679	132002	220666	69799	161292	173905	163771	229326	259236	496673	539549	450731	175137	220342	107025	199026	106075	188260	183831	163708	181616	170213	221166	168186	837509	172629	188725	149343	152933	453590	427411	125262	5301	696	323	389248	410977	578	180280	195907	213888	212395	127744	694	271262	129626	92284	182328	246252	211106	232411	340760	281520	191142	77842	197204	122166	165952	345786	313091	314728	184031	164943	174199	129154	168876	289	146850	146009	245177	141726	260391	134420	216027	155423	107519	143019	101357	127021	211586	151404	222064	238395	310381	325481	927	239693	270423	147608	112069	116576	209902	137136	215405	357302	172024	127563	608	130099	284717	Phytochemical	0.5	1.15	0.05
28	C20 H23 O10 N1	438.13947	438.13992	-0.19647077	438.13937	7641	8090	7605	6556	9173	5899	1521	3993	5321	17248	8426	2092	13256	2548	3969	4430	2581	10676	8205	14978	20315	9490	7327	6302	0	8788	1095	4012	2908	3155	3944	1420	3885	3564	19736	3891	4012	2513	3469	12268	9530	3202	0	0	0	12634	15243	0	4365	3751	6229	5554	5439	0	8344	5232	3221	5157	3976	2230	3511	8437	10533	5731	3160	7161	3778	2818	15461	21238	20340	5082	2574	3109	3734	3242	0	3383	4624	4916	2606	6941	1965	6942	8834	3173	4706	3442	4394	3596	3637	8468	5181	7682	11028	0	7500	6798	5158	5017	4848	3168	2772	4816	9083	4140	5991	0	2721	11266	Phytochemical	0.5	1.15	0.05
8	C20 H23 O10 N1	438.13947	438.14014	-0.09231854	438.13943	77582	158338	57286	76135	46085	33574	33274	125194	62421	337782	103190	45349	88756	21654	43031	66190	55154	59643	74900	250322	315954	250302	50739	145262	21026	37834	31661	48751	48297	51085	50315	54375	65110	48418	421062	48640	56016	37369	71284	115486	280532	38886	792	0	0	98116	288212	0	65951	59709	140502	72404	39380	0	76870	48919	27011	51399	49052	123626	78133	92314	208876	139340	29332	65549	39558	138966	69357	59744	105779	53897	55501	47481	41469	52251	0	39076	58093	60426	39403	114702	37356	54522	53820	30461	42208	41710	44215	131170	37552	55772	156860	100133	113528	0	80305	76910	50015	57985	50939	60777	39824	84847	66627	56756	40873	0	33725	90082	Phytochemical	0.5	1.15	0.05
10	C20 H23 O10 N1	438.13947	438.14008	-0.074536584	438.13943	151377	150857	135351	135513	90373	71843	76903	133162	120673	353808	194856	90179	165543	50229	88117	122768	99803	141880	144380	289151	340570	524774	103274	140217	56466	112415	74289	111819	107019	113546	100831	122940	135304	97535	883792	117155	127084	80100	115862	261294	269323	74662	3683	0	0	218627	260144	0	114316	112825	143864	157058	73591	348	158378	82426	53241	129021	127419	120235	144508	175535	151487	125142	55483	121453	82512	116662	181914	167625	198890	114274	110174	118329	94108	111308	0	79787	106402	117089	91765	292766	85275	106720	105562	63431	90916	70213	78027	126193	89567	136914	162761	185339	247914	1105	147384	152340	87597	84046	80256	126495	81932	162965	190945	116146	83583	0	62704	161805	Phytochemical	0.5	1.15	0.05
6	C20 H23 O10 N1	438.13947	438.14017	-0.12919044	438.1394	30139	29756	24688	26503	19076	14315	10523	22640	27756	54120	37811	17180	44267	8494	15236	25122	24135	30710	32298	37795	124096	99228	19231	25271	5822	11678	12791	15320	15300	17450	19263	17810	23707	16894	148882	18394	20634	13646	28262	30513	114258	18303	0	0	0	27467	54458	0	25475	22439	27629	28913	18583	0	35368	23267	12330	21902	14902	26243	20315	28551	93606	31425	12370	31646	19441	28358	26083	20793	36372	18982	17604	15674	11425	16669	0	12452	20177	19751	16400	38396	11655	15408	28736	15817	17978	18467	19633	31839	9695	19337	34685	71368	41875	0	28205	26745	16913	28031	30523	24611	13359	26523	28690	22382	18055	0	12156	98606	Phytochemical	0.5	1.15	0.05
4	C19 H23 O9 N3	438.1507	438.1515	-0.16085757	438.15063	11732	11018	10966	10269	6341	5991	5384	11550	8265	8313	8614	10064	11163	2721	8076	13095	17593	10143	10365	7807	12464	19600	11467	15171	3787	916	5182	0	7676	8358	9138	7368	12118	7370	13712	10121	13185	7630	22039	10226	19090	7090	0	0	0	10153	19811	0	10349	10228	10855	9608	5070	0	12335	8248	5317	13198	6735	14232	13436	8088	13224	8761	6590	10432	7723	22102	2741	2148	3617	8833	8158	8520	5262	8592	0	7173	9865	8425	7030	7300	5808	3599	8350	5399	9732	9300	8708	21577	4989	10385	24303	8365	7605	0	8373	12904	7220	9187	8344	10971	5985	14212	8100	11417	5998	0	5829	13754	Peptide	0.47368422	1.2105263	0.15789473
8	C19 H23 O9 N3	438.1507	438.15134	-0.15929478	438.15063	127318	132994	116716	135384	57514	52894	66612	144970	73212	120196	83146	100658	83106	20838	96924	158758	137703	89538	121562	133184	145108	197518	111988	184620	65211	29476	72188	46213	113342	112140	117644	129908	144360	112524	160734	116008	154662	93534	150470	132886	160132	75790	0	0	0	145456	171718	0	131722	125502	130310	135376	60212	0	106380	47666	53743	128896	118108	112872	145876	114802	115620	86124	60560	92726	78232	171730	38460	59066	92878	137254	109280	108940	93578	99218	0	91148	99250	81542	91004	81562	75770	49268	59268	51418	98452	90892	88736	192012	86200	158424	251304	101712	105776	0	133198	138494	45688	50832	46446	144456	94570	161972	86146	147506	43754	0	89686	120614	Peptide	0.47368422	1.2105263	0.15789473
2	C19 H23 O9 N3	438.1507	438.15152	-0.06190583	438.15067	12321	22822	14760	15435	14712	0	11802	15489	21225	8304	12141	20031	22827	5313	14220	2247	18078	22137	17514	9660	18912	22224	18651	14106	3780	1173	0	6120	15570	8586	17600	9072	23233	9891	18477	13273	17088	10758	22914	12759	24108	19035	0	0	0	9599	14592	0	9798	9597	15876	17016	14697	0	25830	11847	10233	19395	8688	14202	5706	6684	31221	23379	11217	25389	16650	35546	2784	3888	5739	12046	11994	9144	834	9870	0	10773	14994	6909	15174	7101	6684	3669	15645	10056	14358	15918	16833	50649	5184	14172	35304	15348	963	0	14160	18708	11757	15693	18324	12321	11550	10461	9670	24159	11733	0	10200	31572	Peptide	0.47368422	1.2105263	0.15789473
6	C19 H23 O9 N3	438.1507	438.1514	-0.15004359	438.15063	46309	47196	38887	45082	18899	18939	25778	53675	27601	38314	30013	35092	33915	7506	33910	60195	50815	32511	46892	36873	50505	62678	41982	61151	22199	2587	28458	14479	35822	38629	45138	43394	56081	42880	46911	42428	52400	31133	65646	35537	60379	31506	0	0	0	46519	64683	0	56119	44672	46021	45912	25139	0	32930	16593	18650	50698	38910	46060	57757	32698	40278	28188	23456	32367	31128	74408	9832	10393	17258	42590	42995	36646	28925	36416	0	26041	37011	17517	28560	25446	24801	13753	20548	21857	34752	35227	37091	84434	26314	46633	85480	31127	35645	0	41764	38041	15068	18138	21264	47180	31095	54518	36813	50059	16390	0	30599	40296	Peptide	0.47368422	1.2105263	0.15789473
14	C19 H23 O9 N3	438.1507	438.15125	-0.15978208	438.15063	25268	23110	17091	16774	9467	13000	18736	27777	14028	14929	11309	18526	14017	5466	19809	30740	26005	18184	21276	15656	16690	39016	0	30187	23672	0	17387	0	23203	17639	18973	23671	28077	17763	12436	19852	24345	21653	23293	16839	24077	15602	0	0	0	22878	25106	0	24953	20979	19142	17167	14504	0	14642	8031	8757	29511	41280	28981	34409	24923	11344	15245	9427	0	16810	23264	0	6604	4962	21095	16841	22574	18221	17764	0	20058	18213	0	19716	14987	19390	5602	0	11657	23765	12486	19113	35605	19645	26508	47540	16079	16114	0	23226	22962	6385	7320	8056	31210	18261	28731	21688	27428	8841	0	19476	20125	Peptide	0.47368422	1.2105263	0.15789473
22	C24 H23 O7 N1	438.15472	438.1552	-0.14531186	438.15466	11007	11305	10276	12457	10888	5373	1699	4704	4997	32011	39304	2361	3035	0	4273	6868	5601	6905	7796	26031	37985	21286	3478	3933	4066	54595	2670	36838	4128	3786	0	6474	3021	4106	24130	2676	5980	1003	4416	30482	39780	5848	0	0	0	21126	30741	0	3407	3155	10761	9194	6546	0	4753	3678	5689	3992	4298	7039	3536	23989	6925	5493	3384	8130	8310	2818	53776	75664	91255	2318	0	2032	1295	0	0	2688	5787	20557	4742	19360	2995	23902	10422	5498	5353	9426	6873	9405	8520	8234	7273	26379	24465	0	14389	10884	5470	8511	4748	4598	2814	4081	14819	3625	5149	0	3838	6258	Phytochemical	0.29166666	0.9583333	0.041666668
16	C24 H23 O7 N1	438.15472	438.15524	-0.15094286	438.15466	7589	7787	5141	9379	3427	3487	1923	4413	4998	28009	31975	2691	3353	2612	1478	5041	4553	0	4877	27906	36281	11838	1665	3632	2643	49821	0	24827	1850	3570	2647	0	3515	1484	30896	2224	3868	1403	4589	16460	25820	3828	0	0	0	13460	16195	0	4669	3294	7379	5137	5689	0	5264	3109	3465	4082	2233	3489	0	11706	7421	2640	2441	4946	2983	5937	52853	65297	74754	2594	2642	0	2902	2938	0	3111	4186	13251	4812	8701	3216	15628	5121	1718	6230	4008	5813	0	9851	5852	0	11544	18337	0	11564	9148	4115	6441	6166	5106	1681	0	5962	0	4436	0	5748	7218	Phytochemical	0.29166666	0.9583333	0.041666668
24	C24 H23 O7 N1	438.15472	438.15515	-0.118125826	438.15466	6239	5263	5068	5230	4400	1291	0	0	2964	16443	19940	946	3974	2333	0	3073	1781	3297	5111	13568	15480	5358	2557	2722	0	30050	0	16720	0	1609	3004	0	1551	2549	15194	1532	1611	1383	1493	12780	21029	2946	0	0	0	12893	15869	0	2150	0	6264	4822	2957	0	1367	1347	2001	1620	1835	1305	1590	9790	2822	1436	1252	1435	2121	2099	29355	24172	44694	1086	0	0	0	0	0	1531	2294	12510	2360	10185	2185	13053	4851	0	3456	2352	1270	2986	3174	3388	4567	9182	9805	0	5087	4088	2738	3553	3501	1726	1334	1854	9929	1437	2551	0	1293	3079	Phytochemical	0.29166666	0.9583333	0.041666668
18	C24 H23 O7 N1	438.15472	438.1553	-0.080838524	438.1547	15627	13242	11925	9727	9154	4243	3509	4510	7230	42468	37819	2496	6830	8709	3463	7268	6979	10758	8711	32026	39286	17673	4112	4405	3734	80878	0	39948	0	2498	3748	0	6747	0	36162	2893	6229	4603	5055	31445	40368	7102	0	0	0	16094	20826	0	3580	2626	10678	10522	6409	0	6756	3994	3214	8305	3211	4670	4227	21162	12155	5415	3379	4970	5147	5845	62656	76545	103033	2810	2008	1450	2104	0	0	2869	8121	18195	4472	10365	6285	25004	8518	4664	8372	8625	4199	11816	9808	11491	10549	20272	25368	0	12981	10104	8559	5641	8598	6331	1376	6886	7102	4116	3553	0	3692	6380	Phytochemical	0.29166666	0.9583333	0.041666668
28	C21 H27 O9 N1	438.17587	438.1763	-0.19335367	438.17578	7737	5284	9499	6442	8284	6499	2467	7602	5763	19248	6388	2729	11704	3775	4535	6628	6747	9051	8039	20872	17441	7616	7715	9392	4574	16924	1752	7989	5438	5362	5158	6126	4711	5479	16742	4969	6814	2921	4472	10926	9276	3929	0	0	0	7756	6715	0	7208	5061	6568	8292	5623	0	7745	5644	2867	7529	3207	3632	6497	5621	8747	3562	2145	7311	6343	3646	14115	29711	25718	8521	5725	5498	4380	4944	0	3258	6060	5352	4518	5597	4998	7120	6411	2806	4418	3905	3461	2294	5075	5163	9503	4542	7617	0	6772	8561	4866	5830	9095	6701	2956	5967	5502	3546	4006	0	3444	9681	Phytochemical	0.42857143	1.2857143	0.04761905
2	C21 H27 O9 N1	438.17587	438.17667	-0.13516845	438.1758	4390	4313	3193	4015	3047	33495	3742	4054	4076	4921	4186	4422	6605	2255	4686	1919	6020	3997	3929	4669	9078	5821	4102	3838	1281	2301	0	1891	5209	2977	4772	3966	6909	3660	7648	3920	4016	3441	7701	4459	8766	0	0	0	0	2917	5250	0	4072	3078	3108	3941	2967	0	5085	3952	2115	4866	2245	4537	1402	3170	4800	3756	0	5172	3042	7640	4013	3737	4501	4439	4398	3810	681	4837	0	3481	3424	0	3201	3066	2490	2029	4159	1999	4203	3086	2282	7598	4104	4184	5775	4961	1814	0	3066	3787	3717	4595	4712	2726	3665	4613	3437	4156	2797	0	2975	4848	Phytochemical	0.42857143	1.2857143	0.04761905
18	C20 H27 O8 N3	438.1871	438.18765	-0.12464478	438.18704	218350	204579	213667	205301	150368	130258	125461	236119	171305	479795	196709	117504	211686	92701	185697	178232	114819	226877	264130	448987	378397	218735	179934	224254	158906	248795	110167	280879	228003	173528	198305	199651	231139	185541	486867	188715	224492	151269	115662	253068	156520	112361	3790	0	324	219630	122408	528	201324	192097	214743	222417	140479	607	255612	137516	94799	218539	202900	91788	186213	178300	222551	175084	74984	172239	135195	113178	206486	427674	279540	193879	172903	211236	118498	196787	442	143568	179243	98552	169675	138548	142763	150726	152097	108455	142438	111708	132509	126599	200046	237782	260907	116314	194646	992	220202	211121	137403	111918	108776	207263	113292	220236	115674	172812	101670	383	132786	233497	Peptide	0.4	1.35	0.15
2	C20 H27 O8 N3	438.1871	438.18787	-0.17112407	438.187	9060	9771	7512	9588	4756	0	8879	12318	5677	4652	3862	10155	7809	2477	10886	3347	12085	6595	7001	6111	11339	12203	11875	8363	4873	579	1310	2999	13577	8409	10982	9401	15357	9207	10228	9315	12073	8689	16527	8100	10238	4757	0	0	0	6479	8991	0	11240	7760	7456	8822	6587	0	8132	3295	3526	11246	6534	8386	4733	4880	7118	6997	3311	8034	7309	19690	1314	3244	3250	9960	9666	6514	1315	9538	0	7812	10364	4140	8473	5379	6770	4028	3984	5398	12162	8236	8466	24093	9079	11384	23340	7097	1961	0	10236	7840	4302	4554	4857	8873	8039	7713	5086	13308	3368	0	8353	8670	Peptide	0.4	1.35	0.15
16	C20 H27 O8 N3	438.1871	438.18765	-0.21402936	438.187	9735	8579	11431	11055	3794	8298	11924	11794	6574	4430	6365	9202	7195	0	12702	11758	8628	9244	6596	10266	0	14823	13862	19400	13391	0	10019	13867	17267	13764	14152	21532	18348	11912	11025	13553	23999	8714	10570	7838	0	5297	0	0	0	8271	4692	0	16449	12290	8858	9999	5352	0	0	2202	0	17381	12963	6516	21550	4301	4621	5214	3309	6950	7320	11770	0	4969	0	12211	8876	10262	9222	11932	0	7817	9851	7310	6527	6547	12150	4812	0	6167	10818	7551	6181	0	27327	25953	0	5240	7839	0	10136	7455	0	2398	0	13463	6763	13254	0	20420	4386	0	11461	9685	Peptide	0.4	1.35	0.15
20	C25 H27 O6 N1	438.1911	438.19156	-0.24054033	438.191	165806	167830	159904	135660	107655	119726	64300	170690	143695	352191	154323	79141	189481	81050	134880	139575	66369	206852	192423	349267	288728	178773	144455	158044	132685	229199	68777	173838	151502	118178	141937	137746	159275	123423	383314	134874	182764	112409	74183	226212	118431	83893	3303	807	0	178043	99218	0	138562	129134	156886	154316	100510	0	198558	100794	69956	130615	149520	62331	138415	131702	174516	139125	61472	121234	94224	79112	183916	374050	265929	146530	133783	136701	77388	114583	490	121219	130603	79906	100525	82305	98450	117988	114678	71375	102450	76936	94986	93506	169200	172843	199256	105166	137925	0	149186	164118	88428	84154	85456	148043	91631	160852	94845	134045	83516	0	99121	203556	Phytochemical	0.24	1.08	0.04
14	C25 H27 O6 N1	438.1911	438.19156	-0.31134796	438.19098	2498	2778	3582	3822	1283	0	3130	1507	0	6819	13811	0	0	1416	1064	3566	0	0	2433	13217	19984	0	1551	3709	0	33484	0	14569	3078	0	2212	0	3096	0	7938	2693	0	1461	1901	10226	6219	0	0	0	0	3111	6712	0	0	1895	2170	2363	1652	0	0	0	1248	2670	0	0	0	2090	0	1822	1786	0	2458	2235	22055	26100	31632	1909	2210	0	1914	0	0	0	2402	0	1836	1164	1902	5066	0	0	2688	0	2053	0	5917	0	5332	4561	6971	0	2703	4132	1669	0	0	0	1766	3207	0	2979	0	0	2263	0	Phytochemical	0.24	1.08	0.04
18	C25 H27 O6 N1	438.1911	438.1916	-0.26665315	438.191	8742	6487	5007	8436	4359	5536	3831	4849	1937	19109	20274	3605	1727	3080	4425	9974	5854	7552	10016	24452	21460	6766	4729	9041	3930	50416	3153	19829	0	3510	5185	0	6769	0	13738	4361	7944	3328	4063	20451	22622	2744	0	0	0	7371	15740	0	5069	5184	7085	5617	4221	0	3873	2303	2823	3450	4115	6562	3859	10610	2872	1328	2778	3665	5419	7114	38487	42525	58978	4653	4400	1293	4989	0	0	2108	5423	9678	3601	5403	6183	15257	3487	2155	6652	3492	3535	21380	8692	11946	17003	6935	9459	0	5763	11562	4770	1867	3081	6742	2400	7316	6437	7409	0	0	4206	0	Phytochemical	0.24	1.08	0.04
22	C25 H27 O6 N1	438.1911	438.19153	-0.22633217	438.191	13995	13308	9323	13035	8444	5768	2727	7451	6522	26898	37506	4967	4507	6719	3048	11754	5648	7319	10153	29329	37390	14509	5331	11719	8435	72710	4806	33387	7250	6781	7792	8648	7484	8971	25019	4435	7815	3989	9444	28214	46705	7971	0	0	0	19522	27058	0	8308	5973	12884	13606	7407	0	4617	4262	4710	8667	5690	10658	11905	18193	3658	4076	4405	8236	11962	9421	64642	71807	78520	7692	6204	3296	5055	3710	0	3659	10318	20177	6921	12497	6257	25974	8036	5113	12472	8014	12250	19695	12582	15276	16166	17527	18267	0	10087	15033	7842	7454	6940	10607	4675	9801	15031	13643	6508	0	7208	6287	Phytochemical	0.24	1.08	0.04
24	C22 H31 O6 N1 S1	438.1945	438.19492	-0.14772159	438.19443	5584	7354	7000	6721	5203	3051	1918	6096	3553	6465	5977	2654	3908	3243	3586	7436	4547	5981	6316	12586	9128	9577	2625	7743	4897	12535	2620	6512	7699	4035	5772	6435	5093	9065	9364	5743	4362	3255	6403	10433	9318	1816	0	0	0	9372	8610	0	4628	3950	6699	2605	2551	0	3657	5797	2103	7623	4823	6321	6139	10756	1509	1482	2161	6017	3683	7412	9712	12900	11609	3532	4107	2619	7125	4516	0	2772	4640	6552	2030	5444	7184	6058	2116	3154	3928	2987	3887	6883	15406	21845	6461	7590	15428	0	7665	9532	4052	3957	3804	4518	1951	8147	4818	4238	3620	0	4968	3470	Organosulfur	0.27272728	1.4090909	0.045454547
2	C19 H27 O7 N5	438.19833	438.19885	-0.25015235	438.1982	4010	4568	3896	3796	2127	0	3247	0	3088	0	955	0	4653	1794	4101	3552	5931	3480	3082	1437	0	5918	3462	3237	3714	0	0	10351	3593	2564	4491	3930	5471	4662	2033	3286	5785	2951	9092	1674	1662	0	0	0	0	1381	1001	0	3957	0	4578	4787	2046	0	2928	1753	1742	7088	1299	1495	4588	0	3002	3179	0	3930	2429	5828	0	593	0	4608	4509	4723	840	3007	0	3415	4799	21670	0	0	1135	605	1871	1202	8262	2636	2293	24876	7333	5106	14527	2883	0	0	4897	4299	1871	2080	2187	2708	3164	1667	831	5818	2058	0	3830	10016	Peptide	0.36842105	1.4210526	0.2631579
10	C21 H31 O7 N3	438.22348	438.22403	-0.146839	438.22342	32582	36409	30556	27588	2602	8916	5951	14251	3653	17284	12700	4982	2272	1368	7307	10800	7391	5960	6153	10517	7099	18100	7589	17047	11467	2061	8932	78719	14604	9263	9878	11110	19437	9630	13621	15272	18680	9322	6935	10891	5170	6108	0	0	0	10502	3373	0	13442	10749	33086	33631	5080	0	4077	1286	1870	20289	6004	3645	14183	4203	3608	4435	2519	6283	6376	7471	0	4214	2561	12879	10795	12158	7092	9043	0	7070	8051	24585	9867	4138	6030	6035	1524	2468	10277	4912	8307	17996	2024600	1117170	26825	24038	24268	0	32906	27350	2408	1003	2041	16060	6003	14049	0	12599	1708	0	5999	5893	Peptide	0.33333334	1.4761904	0.14285715
14	C21 H31 O7 N3	438.22348	438.224	-0.03953696	438.22345	4620	5361	5856	4032	2598	3478	4726	7948	1167	2509	0	3400	2007	0	5628	7981	3347	3017	2766	5436	3041	8430	4516	9875	9167	1733	3121	0	8391	7702	10059	9774	7382	8544	2301	7363	6614	3757	7333	5301	0	2723	0	0	0	7593	0	0	8231	5760	4060	4567	2558	0	0	0	1348	13399	0	0	0	0	1608	1609	2448	1848	3115	3640	0	2290	0	7667	5852	5880	3733	4581	0	6113	2222	0	2594	2447	4654	1651	0	0	5287	2897	3770	11820	29984	15839	14189	3806	0	0	4505	3922	0	1457	0	6038	4056	4135	0	7926	1093	0	5667	1870	Peptide	0.33333334	1.4761904	0.14285715
6	C21 H31 O7 N3	438.22348	438.22415	-0.20863467	438.2234	17814	17215	19265	17044	3774	14153	8725	19303	4239	14342	10281	4603	4507	2483	11544	14859	7039	6435	8613	12170	9963	17736	7853	18117	14394	1610	5888	134930	13708	12045	14566	13268	18533	12167	13574	12937	17334	9373	9407	10501	6382	5145	0	0	0	10291	6588	0	14868	9356	19210	18526	5698	0	7932	1999	3249	14987	4131	2804	16885	4973	2653	5254	2054	5809	5449	11245	0	6430	4218	11187	10473	9911	7200	10649	0	9309	7896	106303	6010	3191	5305	4290	2654	4298	9410	5581	6957	15070	671338	340135	28733	20016	14014	0	18372	17979	2630	2477	2282	14185	8838	15638	0	13561	3014	0	8739	5979	Peptide	0.33333334	1.4761904	0.14285715
12	C21 H31 O7 N3	438.22348	438.22394	-0.1689186	438.2234	7570	7554	7252	11405	3110	2592	4903	12824	2740	3717	2792	7977	3425	2202	7905	7469	6701	2452	7243	10643	6007	8114	9958	13542	10955	0	2808	13121	11572	5982	7021	8451	14197	7274	9489	9459	13739	3399	8212	6793	5262	1916	0	0	0	5231	5750	0	8138	4388	7993	7551	2363	0	3095	1162	1873	9562	0	0	0	5464	1636	2167	2344	3556	6774	6053	0	4925	0	8461	7443	8602	4179	8649	0	6191	4261	0	6098	3672	3543	2928	2567	2342	7453	3640	5584	10514	132675	69693	18128	8539	3488	0	7276	9374	2392	0	959	9474	4386	6845	0	10161	3667	0	6878	2486	Peptide	0.33333334	1.4761904	0.14285715
26	C26 H31 O5 N1	438.2275	438.2278	-0.17381865	438.22742	5355	4259	0	3207	3904	0	2275	0	0	3535	10916	3071	0	0	0	0	0	0	5029	5707	6963	3560	0	8691	0	21610	0	9626	0	0	3321	5076	3525	3752	2975	0	2846	2456	5344	4938	9845	0	0	0	0	5321	7989	0	5639	0	5212	4585	3691	0	0	0	0	4463	2679	5634	7140	3167	0	2263	0	0	3375	4251	21390	8058	15091	3409	2679	0	0	3338	0	2889	5169	0	0	3876	3537	6906	0	0	8069	3312	2981	11322	2659	4849	9721	2795	0	0	3875	0	2633	3315	5942	0	0	0	0	4882	0	0	6671	0	Phytochemical	0.1923077	1.1923077	0.038461536
20	C26 H31 O5 N1	438.2275	438.22784	-0.3322744	438.22736	7099	5430	2879	5450	2218	2482	2596	0	1398	7536	7972	3248	0	1481	2407	6355	7603	1959	0	6564	5057	7155	2296	5327	5588	29175	2690	12934	2073	3483	1845	4148	6033	1383	6027	4800	8401	2421	11471	7810	10507	1362	0	0	0	2374	5080	0	2148	2282	3305	5501	2776	0	0	1469	1596	4870	1252	6769	5293	4122	0	0	1587	0	3090	7482	21094	13590	30116	3106	3963	2258	3073	2776	0	2781	4424	5930	2192	2522	3718	0	1557	1487	4542	2871	3903	14659	4649	5300	13367	4797	8000	0	5087	5354	1398	0	0	7535	1886	2131	2102	5899	1669	0	4958	0	Phytochemical	0.1923077	1.1923077	0.038461536
24	C26 H31 O5 N1	438.2275	438.2279	-0.21938616	438.22742	8072	9096	9189	4947	3069	3328	3352	7093	2656	8233	20234	4281	4991	3207	5079	13632	8995	4726	5415	11757	13463	4376	5796	7270	5992	49227	3388	19128	6807	8597	7377	6749	5870	6823	7151	9332	3601	3391	10628	16049	22957	4453	0	0	0	8909	12043	0	6106	6769	9222	7072	7797	0	1892	2607	4234	10539	5693	8004	11705	8589	3852	3663	2400	7099	6670	10725	33953	24404	29383	5475	3457	5046	4732	9102	0	5008	8092	9754	6971	5952	7259	18415	3582	0	9800	5258	7121	20278	8657	10960	16293	13152	7120	0	8299	9382	2461	4437	2617	6588	3588	9798	7105	13735	3527	0	7339	3867	Phytochemical	0.1923077	1.1923077	0.038461536
8	C23 H35 O7 N1	438.24863	438.24924	-0.19473824	438.24854	20550	20755	20904	20291	2969	9015	11516	21399	3411	18639	5579	12610	3550	2775	14553	21851	121402	4650	6735	24285	19895	19942	10750	17188	14143	5492	12535	6926	22672	21863	18233	23407	32029	17266	17623	21595	38865	13568	158073	16577	9498	21140	0	0	0	10144	9244	0	25363	21298	24950	21649	4460	0	3533	1903	2577	24059	1836	2140	19623	6601	3059	4543	3277	4733	15480	100147	3496	13222	10403	22468	17235	19985	14832	20262	0	12755	14471	10589	13847	2009	4471	9771	2492	3757	14208	4724	7431	31789	29143	16440	31672	11789	18580	0	21102	20137	3116	2720	1817	31466	10973	24431	0	17803	2232	0	13582	3769	Lipid	0.3043478	1.5217391	0.04347826
28	C23 H35 O7 N1	438.24863	438.24908	-0.23932624	438.24854	4386	4014	5391	5440	8986	2925	3472	3533	6601	4849	4460	2244	10924	3976	3733	5485	2597	6488	13147	7835	12199	5133	3273	3997	2108	14677	2645	5548	3937	2904	3143	5256	6952	4848	8739	6122	4582	2388	3720	6645	6361	3326	0	0	0	5450	3960	0	6080	3128	5889	4846	5908	0	10575	6821	2863	6602	2267	2236	6016	2646	8053	5520	3627	10432	2949	5079	13727	21484	29283	3339	3107	2441	2885	3965	0	0	7950	2121	4064	2696	3460	4327	11562	5728	9043	3985	3041	8737	5666	9882	6789	2992	2726	0	6325	5603	4085	9391	8368	2994	1723	5453	2256	4634	5139	0	2846	6938	Lipid	0.3043478	1.5217391	0.04347826
10	C23 H35 O7 N1	438.24863	438.24918	-0.22085924	438.24854	22011	19068	17924	19398	5146	7521	22934	30088	5593	20099	7805	16039	6236	4090	15330	20657	14908	7016	9481	31603	20867	22146	16308	20105	20681	7135	26960	12703	26496	24997	22518	28958	32266	20089	26275	26694	29509	16878	17451	17855	8347	8770	0	0	0	14752	10098	0	29728	22108	18937	19424	7826	0	8120	3258	2982	34909	0	2674	20635	8553	5642	6723	4839	6565	11131	21620	0	26253	12309	23891	20566	26831	20676	19178	0	15834	18712	7447	10758	4849	4843	11713	3382	4638	27755	7585	8593	40347	39713	19231	37813	10948	19217	0	20808	20510	2043	3605	3421	31505	12714	33270	0	21155	2176	0	16892	6720	Lipid	0.3043478	1.5217391	0.04347826
28	C29 H36 O1 N1 Na1	438.27673	438.27686	-0.12499229	438.27667	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3639	0	0	0	0	0	2889	0	0	0	0	0	0	0	0	0	0	0	0	0	7766	0	0	0	1008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28209	0	1583	0	0	0	0	0	0	0	1123	0	0	0	1965	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	835	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.03448276	1.2413793	0.03448276
14	C24 H39 O6 N1	438.285	438.2855	-0.12358778	438.28497	3560	2194	2196	4061	0	0	2068	4651	0	1997	0	3354	0	1245	3075	3681	2303	0	1782	0	0	0	2016	2299	6776	0	4446	0	4422	6743	5448	0	6283	3231	0	7007	4478	2106	1687	2049	0	1096	0	0	0	0	0	0	5388	2884	1828	3065	0	0	0	0	661	4761	0	0	0	0	0	0	1090	0	0	4293	0	0	0	3146	3511	6249	2961	4717	0	3573	3446	0	0	0	0	0	0	0	49238	0	1659	40783	17593	0	3267	0	1552	0	5148	1927	0	0	0	2710	2603	2394	0	3668	0	0	5593	0	Lipid	0.25	1.625	0.041666668
10	C24 H39 O6 N1	438.285	438.2855	-0.14862198	438.28494	3166	4545	3292	4096	0	977	6767	8612	0	1849	1349	4441	0	0	3818	6973	2541	0	0	1669	1566	2723	1671	3172	9725	0	4220	0	5837	8399	6333	4610	4300	2949	1448	6984	5804	3554	3576	0	0	1580	0	0	0	0	0	0	8880	7544	4260	4231	0	0	0	0	968	7781	0	0	0	0	0	0	0	0	0	5295	0	0	0	7198	4370	7074	5387	6482	0	5475	3970	0	1421	0	0	979	0	1004	21738	0	1004	21689	16550	1881	6953	0	4910	0	2761	6102	0	0	0	6804	2291	0	0	2427	0	0	6853	0	Lipid	0.25	1.625	0.041666668
12	C24 H39 O6 N1	438.285	438.28546	-0.17578264	438.28494	2489	2527	2203	2649	0	1346	6187	11294	0	0	0	1893	0	0	2748	5383	3930	0	0	0	1749	0	1636	0	9452	0	3463	0	4672	6242	7676	5896	6289	4582	0	6045	6099	3671	1984	1287	0	1942	0	0	0	0	0	0	7273	6446	4831	4563	0	0	0	0	929	10374	0	0	0	0	0	0	969	0	1662	7923	0	0	1461	5085	4278	6614	3445	5897	0	4789	5064	0	0	0	0	1581	0	0	45602	988	2017	50693	17516	3488	8257	0	2597	0	4210	2474	0	0	0	5347	3277	2813	0	3298	0	0	6803	0	Lipid	0.25	1.625	0.041666668
20	C24 H39 O6 N1	438.285	438.28546	-0.2068629	438.2849	10373	7155	9953	8575	9524	4948	10878	14589	6088	2259	6743	6486	7868	9821	7375	16818	22179	7687	11056	9191	8164	3712	5774	7398	10899	10729	8462	7512	11135	11516	11301	11119	12055	8135	3620	13674	10955	7418	20079	2539	5745	8392	0	0	0	5468	7802	0	13297	9968	8843	6592	8741	0	8999	9920	6211	19759	4082	9325	15550	2270	5134	9500	5232	9223	10462	29552	7686	9303	11399	6948	13041	11661	24503	7907	0	7825	12120	5682	6141	2910	8042	0	15877	12778	19042	9957	7748	30262	14244	13313	17009	2572	9961	0	8610	9813	8410	10850	12188	18013	7363	10843	3238	7238	13191	0	11158	4959	Lipid	0.25	1.625	0.041666668
28	C22 H47 O7 N1	438.34253	438.3427	-0.25261977	438.3424	4685	3616	3825	2808	1239	0	1664	0	0	3275	6212	0	0	1966	0	0	0	0	0	0	0	0	0	0	0	73831	1694	8461	0	0	0	1755	1073	0	1658	0	0	0	0	6240	12210	0	0	1151	0	2216	4966	1348	1147	0	2571	3325	953	0	0	0	1801	0	54886	2495	0	9977	1243	1166	1949	981	0	0	118973	47529	64668	949	0	0	0	0	0	0	0	6399	1976	5177	1802	2051	0	4111	0	1264	0	6552	40705	33014	0	1417	0	0	2934	4099	1150	0	0	0	0	13339	149944	0	1390	0	0	760	Lipid	0.3181818	2.1363637	0.045454547
20	C26 H47 O4 N1	438.3578	438.3583	-0.13802938	438.35773	0	0	0	0	0	0	1579	11419	0	0	0	50440	0	0	0	55511	0	0	0	0	0	0	0	0	0	0	6924	0	2393	35329	5460	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11879	0	0	0	0	0	0	0	0	0	0	19219	0	0	0	0	0	0	0	0	0	0	0	0	80864	0	0	0	20388	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6642	0	0	0	0	0	0	0	Lipid	0.15384616	1.8076923	0.038461536
22	C26 H47 O4 N1	438.3578	438.35797	-0.14400375	438.35773	0	0	1696	1916	0	0	11151	0	0	0	4773	42851	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20476	0	0	9417	21498	0	0	0	0	0	0	1339	0	0	0	0	0	0	0	0	0	0	2526	0	2722	1418	0	0	0	0	0	7283	0	0	9455	0	0	0	0	0	0	0	0	0	0	0	4461	1022	0	12755	0	36616	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2152	0	0	0	0	0	64073	0	0	0	0	0	0	0	Lipid	0.15384616	1.8076923	0.038461536
18	C18 H14 O13	439.05072	439.05142	0.1629549	439.05078	7774	7083	6648	10438	29624	11628	0	0	22842	0	0	4012	55618	9076	0	0	0	19502	11714	0	0	10730	3156	0	0	0	0	0	0	0	0	0	0	0	6770	0	0	0	0	0	6660	3898	872	0	0	3796	3666	1114	0	0	0	6550	11044	0	19182	33148	7564	0	0	0	0	3300	57760	30566	7744	38378	8268	0	2150	0	3562	0	0	0	0	0	0	2954	0	6640	9454	2612	0	0	31524	9360	5770	4150	6364	0	0	0	0	16446	5880	0	7786	4740	19018	34758	43030	0	0	0	2922	0	22398	0	0	59314	Phytochemical	0.7222222	0.7777778	0.0
16	C18 H14 O13	439.05072	439.05136	0.046958663	439.05075	4060	0	2299	3285	16768	4412	0	0	19684	2488	3062	0	29439	4375	0	0	0	8770	11641	0	0	5380	2225	0	0	0	0	0	0	0	0	0	0	0	2530	0	2669	1051	0	0	0	2647	0	0	0	0	4229	0	0	0	6016	3813	9315	0	9867	22465	4326	0	0	0	0	1312	42663	15439	3750	16529	2942	0	0	0	1780	0	0	0	0	0	0	1103	2559	0	2584	1431	0	0	16995	3016	1521	2651	3457	0	0	0	0	10854	2914	0	2739	3293	12934	25178	22318	0	0	0	0	0	11672	0	1535	35608	Phytochemical	0.7222222	0.7777778	0.0
12	C18 H14 O13	439.05072	439.0514	-0.07407854	439.0507	2150	0	0	1874	8405	3504	0	0	9487	0	0	0	11131	749	0	0	0	6170	5400	0	0	0	1234	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2099	0	0	0	0	0	0	0	0	1702	2130	3204	0	5025	9355	3321	0	0	0	0	0	30056	7895	3922	9519	1988	0	0	0	0	0	0	0	0	0	0	914	0	0	0	1340	0	0	9056	1129	0	2838	1494	0	0	0	0	3374	0	0	1710	0	10686	18255	12875	0	0	0	0	0	6226	0	0	21793	Phytochemical	0.7222222	0.7777778	0.0
14	C18 H14 O13	439.05072	439.0514	-0.033543587	439.0507	2422	4221	0	3356	15934	3470	0	0	19993	0	2588	1127	20430	2901	0	0	0	6830	9292	0	2355	0	3037	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1434	0	0	0	3136	0	0	0	0	0	0	0	0	2788	2104	7714	0	10833	19221	3807	0	0	0	0	1752	42726	19132	4152	13714	7090	1878	0	0	0	0	0	0	0	0	0	0	2443	0	2440	1101	0	0	21318	0	2737	3378	2882	0	0	0	0	10068	1835	0	2914	2162	14022	27597	19814	0	2094	0	0	1790	9022	0	1085	27874	Phytochemical	0.7222222	0.7777778	0.0
18	C22 H14 O10	439.06598	439.0665	-0.07479238	439.06595	9065	12315	9034	13814	17795	6270	2354	0	20304	23269	16765	898	22267	9028	3417	2105	2224	16588	27047	15122	22763	34953	9106	4201	3125	7459	2988	6726	0	1426	1279	0	5198	0	42970	0	4199	5710	2542	8989	15772	4173	509	0	0	13687	15388	0	3139	0	13168	12609	16188	0	16944	14706	10366	5868	2954	4316	2895	10988	36734	18496	6689	24928	11890	0	9762	12160	13884	0	0	0	2668	0	0	3803	17684	23660	10649	14185	2179	8382	25454	11202	10453	8282	8097	3910	5384	8784	4759	44751	41672	0	12794	7965	18882	18229	15723	4995	3590	6123	11157	2870	16307	0	2419	25279	Phytochemical	0.45454547	0.6363636	0.0
26	C22 H14 O10	439.06598	439.06635	-0.14206381	439.06592	6629	6503	4672	7892	10796	6792	0	0	12932	6738	0	0	13961	7200	0	0	0	18198	15236	5469	5169	12211	0	0	0	0	1776	0	0	0	0	0	2530	0	12154	0	0	0	3150	2662	3090	0	0	0	0	0	0	0	0	0	6219	6932	10079	0	16382	9133	4204	0	0	0	0	0	20993	11244	5479	13903	4452	0	0	6556	8485	0	0	0	0	0	0	0	11075	8243	9293	0	0	2727	21885	6982	6708	6639	5019	4473	1910	4066	0	16287	33026	0	5026	0	6373	11890	9371	0	0	0	0	3030	9539	0	4176	17633	Phytochemical	0.45454547	0.6363636	0.0
24	C22 H14 O10	439.06598	439.06638	-0.2005052	439.0659	7426	8204	7206	5892	12058	6516	2249	2967	17382	10198	3439	2881	17189	6420	4128	2529	1459	18322	21284	6427	11142	19943	7610	2352	4062	3981	2305	0	2230	0	1699	1198	2960	1158	22034	0	3670	3163	2175	4889	7337	3481	0	0	0	5777	9576	0	1266	0	6981	6830	8709	0	18285	12129	6235	3685	1498	2651	2996	3053	25990	16141	5106	16540	3149	2514	4943	4906	9020	2028	1250	0	0	0	0	3452	11989	10052	12591	7961	948	3920	18270	13825	10081	7518	7089	3883	2458	3679	3411	20298	21126	0	6186	7364	9629	12508	14566	1396	1650	3120	4559	3202	13496	0	3714	20364	Phytochemical	0.45454547	0.6363636	0.0
16	C22 H14 O10	439.06598	439.06653	-0.08382625	439.06595	5346	5422	7730	5686	12543	3883	1094	0	12571	20227	12606	0	17157	2788	1854	0	0	10805	14030	8581	12764	21782	2718	1636	0	6294	1100	4675	0	0	0	0	2496	0	42861	0	2547	1337	0	4433	5796	3200	249	0	0	4873	11490	0	0	0	8504	3949	9507	0	11865	8538	4671	0	1235	0	0	4201	23165	10696	3315	14841	3044	1588	8989	7759	14150	0	0	0	0	0	0	1824	7340	12781	5547	7310	0	4931	13606	6699	3698	5669	2614	0	0	2342	0	24379	27812	0	4496	5570	13062	11820	13454	0	1320	2255	4582	0	8906	0	1017	15683	Phytochemical	0.45454547	0.6363636	0.0
22	C22 H14 O10	439.06598	439.0664	-0.16842258	439.0659	15797	14520	8519	8367	17417	9933	5551	1349	27940	26140	10745	3211	15044	5173	6849	5170	3224	22400	18296	10664	15869	31142	8460	6830	3737	7362	4879	3031	2437	1691	2152	0	2610	1945	23540	1529	5907	7013	3644	7236	10318	10297	0	0	0	6904	14397	0	3888	1260	8410	8832	17093	276	24238	21581	9214	6571	3311	6243	4862	5184	31695	17918	10667	22213	8490	3132	7547	7536	14613	2632	0	0	1633	1527	0	1729	17644	14088	17177	9758	2574	8090	27651	16084	18397	10575	10744	7214	4898	4929	5038	29083	27827	0	9677	11589	20751	23759	19629	4506	4657	6705	11924	5342	17267	0	8320	26498	Phytochemical	0.45454547	0.6363636	0.0
20	C22 H14 O10	439.06598	439.06644	-0.12906232	439.06592	15938	16497	12946	14594	25022	11434	4200	2430	24211	31551	14395	4165	28009	12065	3972	3268	3372	25088	28464	17792	19446	28568	4649	6198	3177	11006	4617	3842	1926	1953	2413	1566	5465	0	39107	0	8818	5879	4672	13187	18152	5882	0	0	0	11130	21006	1162	3505	1291	13312	12551	16680	0	23453	16247	11260	5204	5168	5797	4572	8691	42674	24184	9204	21336	12194	5746	12639	7974	15944	0	0	0	0	1377	0	3550	21448	27291	13691	10118	1402	13955	36541	13820	15427	8154	10953	9359	4515	8640	7872	45279	39443	0	14803	11086	27373	23470	25436	4824	2771	6664	13385	5507	18883	0	5479	30108	Phytochemical	0.45454547	0.6363636	0.0
12	C19 H18 O12	439.0871	439.0877	-0.085938945	439.08707	70791	68090	70486	70587	117397	56819	18494	23642	150682	77516	91277	35801	177879	33258	34037	28105	31404	122422	134842	59472	100189	170055	55718	32035	6419	4082	15083	15996	14664	13920	20839	19881	39843	15249	119128	15407	38755	35193	31155	37222	82913	44805	1251	0	0	53223	145204	0	23046	21035	69527	73616	76131	0	135121	112208	52988	32937	27920	38330	30494	56942	253837	145610	44750	147874	51907	32947	23378	15055	41064	19905	20601	12323	22452	15991	0	25689	56124	93387	48105	61699	10743	9341	128805	49005	45862	45157	47962	43919	12231	37547	40561	145320	72830	0	82875	83015	140801	138929	121082	35263	25542	22314	93599	32881	100037	0	13847	222684	Phytochemical	0.6315789	0.94736844	0.0
24	C19 H18 O12	439.0871	439.08774	0.15892065	439.08716	4156	5885	2435	3069	7192	5539	0	0	11685	7387	3438	2230	19612	3408	3377	0	0	11369	7666	3387	5103	8582	3353	1401	1923	0	0	2662	0	0	1644	1428	1343	0	8020	0	0	2327	0	2092	6250	0	0	0	0	7294	13417	0	1582	0	2910	3808	5690	0	9551	8529	3854	0	1481	2020	0	6607	16623	11826	0	7270	2995	0	0	0	3416	0	1076	0	0	0	0	1620	3299	4821	4738	8924	0	0	11036	5494	2588	2705	2517	0	1530	3570	0	6146	5568	0	4629	3515	6428	8219	6106	1460	1323	0	7075	1157	9333	0	890	20512	Phytochemical	0.6315789	0.94736844	0.0
22	C19 H18 O12	439.0871	439.0877	0.17867394	439.0872	7278	8148	7690	8212	14431	11782	0	2389	22802	10313	3760	3470	28250	5712	4637	0	0	20511	14718	6296	6023	13362	6488	3657	2220	2803	0	3703	1771	0	1967	0	4799	0	7776	0	4512	3346	1503	5287	7262	2700	0	0	0	12016	22430	0	1525	2796	9610	7380	13205	525	23403	13103	6972	2042	3326	3265	0	9833	32114	18362	4461	21388	5650	0	6596	5347	4984	2181	0	0	1487	0	467	5345	6410	7387	5123	14680	3607	4342	21708	10743	2905	2821	3921	1963	4637	4753	4840	18436	21749	0	7808	9045	13683	14431	15019	1512	2084	2543	14009	3607	14839	0	1752	43980	Phytochemical	0.6315789	0.94736844	0.0
10	C19 H18 O12	439.0871	439.0877	-0.100871764	439.08707	37453	39848	36959	37809	73615	33515	8942	16893	88696	43401	56707	18572	124790	20171	17819	18339	20639	69702	84051	28391	59284	68269	27833	23827	3656	3226	13371	10050	10377	7274	10842	11187	24453	10092	73631	7149	21558	19265	21491	20359	49635	24808	831	0	0	26032	59795	0	12657	12689	44269	40994	45013	0	76623	74048	31779	21519	15665	24140	13677	23732	129332	87494	32359	93807	30586	22776	17395	8277	26581	14611	9563	6689	12525	9078	0	12702	40174	39741	32978	28170	5918	4259	92934	27929	31122	37447	29417	27321	5942	11771	22738	87806	51088	0	37283	42995	80688	106402	94457	21301	17961	15406	51703	17123	73616	0	8694	128110	Phytochemical	0.6315789	0.94736844	0.0
8	C19 H18 O12	439.0871	439.08777	-0.12625322	439.08704	19395	20747	12855	19013	29152	9100	3295	3289	32451	19750	28218	11318	55168	9156	6383	7364	8634	28434	35831	13230	21866	25748	12283	6457	1482	761	5298	2938	3628	3110	4262	4331	7769	4147	32848	3595	6226	6639	9286	7840	22317	12962	0	0	0	14193	22596	0	5258	4012	16638	18410	17906	0	30496	37520	16154	7097	4945	11068	5014	8626	66216	40785	16473	40390	15986	9946	6245	3837	9661	3771	5570	2940	5613	4134	0	5016	18543	8421	12800	7544	2173	1225	47087	11890	13064	17546	12784	12754	0	0	5585	33244	15357	0	16627	17543	44022	59882	49570	9235	7599	5314	12964	7981	39610	0	3666	53968	Phytochemical	0.6315789	0.94736844	0.0
14	C19 H18 O12	439.0871	439.0877	-0.07255989	439.08707	82096	77380	74052	78183	136169	80508	20018	31163	169183	80429	83263	39225	257207	53568	40640	34437	28508	169983	146516	62189	99627	159007	61709	28192	9952	6534	18658	20678	16826	17446	23845	19411	39139	17672	127260	19748	33994	40541	28521	46315	77935	51401	0	0	350	71447	175371	642	20095	23526	80848	71135	88735	206	155000	126291	64567	34693	39599	32585	41478	64294	274293	170769	54353	175258	68138	26323	37683	18116	34825	20957	21954	12949	22953	17261	252	30775	65414	73369	53727	80872	13568	10098	138571	63662	47552	58691	60042	40071	14890	33750	44899	142348	77513	0	78634	65683	122797	145325	135623	38856	37207	28640	133777	38605	106864	0	15260	247749	Phytochemical	0.6315789	0.94736844	0.0
6	C19 H18 O12	439.0871	439.0878	-0.16717814	439.08704	3913	4041	3054	4476	8443	3675	950	1316	11213	4458	5950	2163	19951	1859	1315	1810	1737	7835	6884	2563	5540	4017	2791	0	0	0	616	0	0	1039	796	844	1122	630	5088	0	906	1537	2594	1480	4955	2104	0	0	0	1523	4866	0	0	1104	4501	3249	6427	0	10671	11989	5021	1012	1249	1884	2095	1535	21812	10241	4165	9569	4714	2293	0	0	3107	1408	752	0	0	0	0	1419	3916	0	3389	1169	593	0	16465	4687	2770	4696	3412	3242	0	0	1141	5178	2409	0	3575	3214	11181	21583	18051	1449	1703	0	0	876	12977	0	837	18877	Phytochemical	0.6315789	0.94736844	0.0
14	C18 H18 O11 N2	439.09833	439.099	0.013856726	439.09833	13318	10957	14682	10327	12117	9482	0	4467	20948	9028	10645	7640	32063	4439	6867	6180	9306	14395	12656	6498	24665	39862	9651	4735	2357	0	3038	0	4559	1979	4124	0	8800	5272	12864	3181	7804	6301	6696	10885	29384	11111	0	0	0	12336	45095	0	3786	3311	9411	11646	11260	0	27826	16841	8474	6342	5097	7214	0	18886	41863	25244	10576	21687	12895	7276	0	1933	6162	4674	4923	4848	6592	5401	0	5465	11296	16448	6193	14016	1379	3827	19834	7034	6691	9593	11510	14857	0	6891	15215	28386	16262	0	12030	11422	10781	16062	17423	10445	8040	4973	30257	8866	11571	0	3885	39810	Phytochemical	0.6111111	1.0	0.11111111
10	C18 H18 O11 N2	439.09833	439.099	-0.06790282	439.0983	29843	29456	23732	25560	38776	16714	10584	12306	57848	45536	43068	26289	64738	5806	14268	14118	12008	45281	49067	27588	65879	69798	22940	17164	3338	10767	4494	0	10038	8700	15107	8188	27424	10080	55603	13178	18816	16646	17600	21730	82761	18549	0	0	0	28706	89953	0	13304	11850	33670	28044	23099	0	48988	39596	16200	10002	15076	19588	0	39618	89518	61663	12898	55758	23924	28171	0	23884	27033	12216	11144	4876	16980	8948	0	17264	24592	19326	20757	39676	8241	5480	50544	15677	19740	24194	24608	42697	0	14464	33834	50816	38839	0	34247	35563	41182	46047	41170	24544	17226	17584	57304	25690	36536	0	5705	94849	Phytochemical	0.6111111	1.0	0.11111111
8	C18 H18 O11 N2	439.09833	439.09903	-0.04370615	439.09833	7873	11650	4494	10605	11167	3946	1806	5707	12883	8088	9043	5618	18596	1969	4584	3185	4709	11582	13019	7962	16571	17144	4683	5788	720	0	1990	0	2529	3630	3176	1776	4142	2750	11388	2116	4796	4316	4819	7202	18639	7692	0	0	0	9377	22118	0	6195	3998	8002	9885	7356	0	15962	12785	4951	4165	2957	7061	4618	6207	31839	21074	6421	13740	5719	7395	0	0	3889	3292	2805	2202	4647	3323	0	4929	6153	2681	4334	5982	1616	1554	16348	4817	1923	8355	7687	10343	0	0	8949	14277	6075	0	9140	8852	10903	17971	16168	6395	5284	5232	19675	7220	8422	0	1231	33337	Phytochemical	0.6111111	1.0	0.11111111
12	C18 H18 O11 N2	439.09833	439.099	0.052105207	439.09836	15256	14363	10398	16529	18255	9595	5683	4290	23364	9282	19392	11579	30926	4924	7991	6794	9084	18835	24247	13232	28364	34175	12145	9664	1665	1327	2441	0	4139	3821	7465	6041	8923	7959	22203	5210	9894	5850	7740	16162	44315	12691	0	0	0	15821	55152	0	6570	5856	13401	12609	12859	0	32755	18038	9791	7182	6852	13409	0	16709	56608	30331	8653	23559	13223	13104	0	2080	8188	4797	6761	3193	6552	4260	0	7766	10907	0	8866	23852	2945	3187	18936	10357	9083	13441	11627	27363	0	13926	14046	41468	16930	0	17530	15328	17109	20499	16210	13401	9338	5054	32868	10285	14600	0	3770	47864	Phytochemical	0.6111111	1.0	0.11111111
24	C23 H18 O9	439.10236	439.10275	-0.17566568	439.1023	17206	12868	10183	12155	20244	8459	2807	0	17253	46586	25578	3511	23791	11934	6563	2611	2024	22072	21071	25005	31478	33522	8578	5114	2993	38402	1800	11895	1716	1343	1657	1639	3599	1645	48466	0	5330	6111	3278	15792	18323	3626	0	0	0	17653	24980	0	3076	2065	11305	11990	13953	0	18544	17874	10989	6764	4815	3326	3922	10916	30517	18996	6798	19768	9496	2222	35857	48757	73744	1148	1858	0	0	1619	0	3253	15600	23123	11987	18909	5813	13345	25502	14743	7939	8391	7514	7179	8215	10576	4215	45943	43852	0	11337	15294	17832	22340	20120	2267	3325	6019	14910	4202	17205	0	4731	25267	Phytochemical	0.39130434	0.7826087	0.0
22	C23 H18 O9	439.10236	439.1028	-0.13154264	439.1023	25357	29601	27312	28985	34785	22981	5442	3418	37864	84665	66095	5246	31192	20952	10669	11181	6342	40477	37286	49319	48964	62623	13860	6872	6732	79859	7515	32132	6170	3513	5321	4737	9897	3596	109031	3770	10378	8097	6279	40994	41076	9589	0	0	0	34922	43366	0	3479	5095	27534	25108	21489	0	33423	28257	16179	9355	8211	9449	10106	28782	53684	33884	14979	33396	19674	6440	66554	95547	106466	3489	2105	1215	2786	4597	0	5301	26846	40847	19122	36915	10267	33641	44232	26287	18009	12152	13780	11204	14043	26292	17430	70147	75486	0	25190	27281	35767	37139	27893	8876	6006	8859	27113	9877	30773	0	11023	47433	Phytochemical	0.39130434	0.7826087	0.0
20	C23 H18 O9	439.10236	439.10284	-0.10626145	439.10233	39237	40603	39387	33916	44575	20875	8700	9335	46568	127797	89815	9227	51807	28200	12329	9276	7217	57061	58539	76981	81634	78766	12228	10692	13007	116887	12086	59386	5244	3375	8061	4799	13318	5726	184327	3195	17726	13612	10827	57862	51131	16818	1562	0	288	54709	67565	794	7663	5408	38560	40461	28818	342	40212	36771	25083	17794	14079	14688	11262	35444	70321	41390	21940	45064	24213	8339	104403	109541	129232	2829	4696	1259	6554	8358	0	6608	34496	71567	26974	43446	12667	42832	54722	26519	27348	23889	17676	23861	23158	27107	15632	91241	101727	0	34124	30180	48029	39956	38531	13749	6211	15016	46044	12733	38864	0	12241	58579	Phytochemical	0.39130434	0.7826087	0.0
28	C23 H18 O9	439.10236	439.10275	-0.19854991	439.10226	4758	4096	6294	4509	5508	3171	0	0	7889	17936	4749	1162	10390	4212	0	2474	0	7587	11250	6469	8305	14369	2178	2608	2750	12473	1995	4428	0	0	0	0	0	0	16755	0	2170	2170	1654	6363	6910	0	0	0	0	6197	7462	0	0	0	4414	5189	5708	0	9953	6259	2591	1728	0	1322	0	2830	10786	6181	2677	8086	3563	2006	12523	14715	23525	0	0	0	0	0	0	1257	6860	15960	3828	3254	1304	3930	10650	5723	4472	2053	2430	3335	1139	2460	0	15798	18646	0	3860	5160	7526	8662	10203	0	1171	0	2643	2356	5386	0	946	11055	Phytochemical	0.39130434	0.7826087	0.0
14	C23 H18 O9	439.10236	439.10294	-0.033155963	439.10236	9747	9056	6830	11927	11201	5325	4423	2913	12424	45108	34782	2658	11038	6525	2588	5672	4422	11916	13978	23580	28961	23442	5182	0	2340	43020	4877	14709	1943	1166	1853	0	3578	1346	62382	2209	3359	2617	4120	15716	16378	4030	0	0	0	15712	24793	0	2621	0	9175	14637	7081	0	11053	8366	4955	3893	0	0	0	5198	20357	11100	4039	12730	7188	4632	29096	38924	48393	1352	2737	0	1443	2309	0	2685	8524	25191	9362	11911	2684	10260	12499	4677	5756	5413	3448	5900	6962	5460	9103	29737	26141	0	12202	10799	12664	10329	11239	0	1827	3541	0	2492	8261	0	3606	10842	Phytochemical	0.39130434	0.7826087	0.0
26	C23 H18 O9	439.10236	439.10278	-0.18372193	439.10226	7672	6301	7205	6967	10950	5473	0	0	15733	26175	7979	3559	15441	4555	0	0	0	15642	10981	14497	18466	21790	0	0	0	16936	1673	7935	0	0	0	0	0	0	32345	0	2412	2678	0	9659	11873	0	0	0	0	12927	11626	0	0	0	5351	8106	8362	0	15502	7216	3928	2739	0	0	0	4845	20361	11066	3369	12156	6603	0	22579	27888	37884	0	0	0	0	0	0	0	9278	13690	7507	6456	0	7239	21888	6977	6274	4157	3781	3275	2927	5781	4397	26801	30692	0	7753	9476	7683	12903	11703	0	0	0	0	2120	10928	0	0	20457	Phytochemical	0.39130434	0.7826087	0.0
12	C20 H22 O11	439.12347	439.12408	-0.07255968	439.12344	579430	575288	580798	595078	451884	162432	153001	427764	599058	1217860	394596	300640	574310	98623	334346	213697	173395	639138	651022	973078	1016976	498205	418884	235052	85505	137528	145974	235919	166801	175468	356698	185134	201745	178976	1599800	153254	398790	384654	334964	354568	465854	281872	5449	789	496	388839	1219014	444	413050	203896	593062	304496	377920	460	689236	373072	261082	220269	238022	197871	263054	581526	803498	540760	213194	542674	326612	193230	284000	265750	653418	378890	173481	166921	144559	173139	351	329416	422628	265764	396580	652934	121877	345116	476692	295306	180077	265674	300990	208880	131487	207832	404136	745242	783542	1685	586190	298969	283162	385810	182994	224032	287596	224063	411437	357686	441812	367	119342	762656	Phytochemical	0.55	1.1	0.0
6	C20 H22 O11	439.12347	439.1242	-0.123590775	439.12344	11249	12058	9698	12020	10971	7010	5492	10082	29238	24109	17430	8018	29836	6580	5794	10507	9370	12083	14401	12986	20860	11680	8841	12605	2013	6786	5521	7503	5797	4466	7007	7819	7363	6633	21774	7586	8254	7056	13815	7827	16061	7635	0	0	0	8516	18707	0	7305	10863	11747	11795	8968	0	16701	13966	7964	7078	7206	12862	9140	8769	38024	13918	6086	11963	9158	13609	10252	10547	17652	7833	7510	7049	5363	7091	0	5857	10291	0	6883	6594	4856	5691	31858	9132	8527	7205	6486	11349	0	4843	10052	10265	12187	0	13496	13204	12311	30492	18540	11162	7901	9747	12187	7876	14512	0	4563	17513	Phytochemical	0.55	1.1	0.0
10	C20 H22 O11	439.12347	439.1241	-0.08226415	439.12344	284202	130529	248348	256972	205374	74023	68387	186802	147546	290545	351252	175708	288316	54903	78711	111002	167906	276190	147232	409558	516472	356954	105664	118160	43681	75537	75192	91862	73789	152658	172676	191694	222348	157324	750764	156552	104207	153644	98876	339228	374874	128732	2431	527	0	327496	498966	0	195978	180074	271046	257358	156354	650	316526	201008	126740	214270	92121	217660	124299	244838	341346	263424	136760	239146	153066	213676	131088	121039	381452	193514	177358	77186	75210	164108	0	139496	249212	117700	226846	275656	63234	65902	251192	142152	200784	138406	142096	179660	55495	83384	101937	324290	371346	795	264838	267244	268094	224158	212062	183466	136018	110245	211835	160596	112764	0	58777	326162	Phytochemical	0.55	1.1	0.0
16	C20 H22 O11	439.12347	439.12405	-0.06280771	439.12347	337202	350664	339731	343181	339892	295375	146814	247631	443367	662395	300449	166315	567262	155914	253842	209378	131989	551881	469659	575668	569471	1037378	275631	232786	159855	182382	126215	191930	212356	182493	253357	258504	277733	202406	1628880	214468	281347	217047	141383	435576	301319	172171	9214	1537	1086	1076122	1103648	1294	249257	209999	343074	342664	285166	1583	493025	262444	160414	235620	291609	131036	230476	364363	575470	394566	139876	375666	236647	143869	278939	409493	357520	255479	226430	220997	139908	216689	793	201039	238282	244505	209034	915314	155624	219061	303358	190540	187960	164376	197597	146201	191587	294681	297219	335217	400679	2637	316338	337401	306290	230606	208617	236545	184985	238821	397574	263885	243785	1238	148784	1174348	Phytochemical	0.55	1.1	0.0
24	C20 H22 O11	439.12347	439.12402	0.052213185	439.1235	13401	14021	8505	11113	14331	13930	1482	10049	19441	18094	8370	6681	27314	7541	9554	7133	5121	21115	15402	19991	18081	18915	11740	7988	6908	6985	3139	6914	7792	3702	6554	6404	7611	7274	20555	6883	10026	6494	3976	16577	9441	4551	0	0	0	22408	27994	0	6583	6374	12486	9725	10550	0	17359	13299	6562	6521	6117	5708	4692	15437	23729	16348	4798	18448	6847	5045	8743	17842	17520	6090	6112	6177	3612	4036	0	8412	10584	7302	9326	19638	4338	7345	16328	8134	7656	4572	7909	4858	11395	13525	7855	12695	16116	0	12932	12283	9650	10931	9398	6634	5441	7509	17278	7214	7766	0	5394	23278	Phytochemical	0.55	1.1	0.0
6	C19 H22 O10 N2	439.13474	439.1354	-0.14139582	439.13467	36801	40413	35130	37292	22068	15551	15642	35787	34306	44762	40624	30046	42832	8423	23158	41288	38183	36741	42399	41667	62420	56193	31588	39301	9488	4646	15574	16879	25883	28838	31776	37808	41569	28659	57470	29895	39595	23364	50007	41967	71808	24672	0	0	0	39423	89059	0	33717	35432	36623	37562	24898	0	38826	25274	20031	35194	24847	43959	39907	36576	61549	39949	23480	39235	29226	55864	14656	12568	20107	27351	33248	29318	21333	29715	0	21235	24008	22516	19357	25591	13943	13325	32054	18543	21214	31671	31192	52751	13590	28508	48407	45391	41256	0	38827	35896	19105	31247	27294	46590	24670	41578	50002	37183	24177	0	16374	60570	Phytochemical	0.5263158	1.1578947	0.10526316
18	C19 H22 O10 N2	439.13474	439.13528	-0.02369287	439.1347	21674	18453	18899	21232	18657	15165	15459	22744	18688	26347	11871	11546	25881	9733	22154	24920	13767	18990	23002	11786	18774	33085	21947	21761	14465	6395	16132	5683	23479	18755	19356	18258	28339	13480	25204	18593	24639	15545	15275	23982	18894	8930	0	0	0	25480	21295	0	19239	17076	21139	18962	13746	0	26948	15539	13137	19700	16519	9490	20450	24998	30006	23985	10697	18803	14141	16311	5071	7545	11909	18921	17443	13137	13669	16338	0	19324	21809	12710	17411	19650	10622	8755	14702	12382	17501	16119	16147	15364	12190	17648	42214	19557	24276	0	16959	20730	10869	11052	15085	29253	18842	18180	20517	20614	13651	0	16244	34180	Phytochemical	0.5263158	1.1578947	0.10526316
16	C19 H22 O10 N2	439.13474	439.13525	-0.12090602	439.13467	50295	54808	44466	52707	35187	40277	28738	44387	43985	61752	25619	31986	63507	17283	53988	43102	36550	59650	69672	55327	59072	80681	50434	57431	35742	7347	27517	15448	45514	39869	52501	51708	60970	39999	67955	39891	65327	35840	35710	61817	48920	36903	735	0	0	58316	74952	0	48112	49055	49220	42762	35492	0	57001	33646	26479	47859	57153	33407	49737	50958	55175	37280	21692	48667	33952	36548	16305	24229	20417	47315	40873	39624	30709	36662	0	36474	41305	34207	33666	49877	26667	30641	32557	29217	41499	31836	36170	49415	34188	68927	71625	44610	58911	0	50156	50113	29426	29150	28190	52067	36023	51447	52822	58777	30607	0	40407	78123	Phytochemical	0.5263158	1.1578947	0.10526316
10	C19 H22 O10 N2	439.13474	439.1353	-0.1223075	439.13467	141919	144839	123576	124391	68500	61638	68641	135771	104509	172132	128863	107962	122505	30087	93625	128485	119021	128027	135999	174127	195417	228003	113768	140273	52911	16995	75342	59301	109664	120890	112849	132560	161889	111379	235192	116098	148968	93465	143778	198928	234116	78132	840	0	0	178742	254309	0	130430	115547	132809	138207	73173	0	128406	66386	55766	137083	138161	123655	135404	151229	144297	116693	62848	101120	90603	153123	56553	59237	67677	129240	116006	111516	101319	108185	0	92296	90719	97234	86642	124381	69131	63363	84778	57900	94272	84897	88668	146803	82464	119801	192160	151388	148440	0	143996	142495	70456	64086	66856	157791	98980	158681	193118	138353	60458	0	69779	167623	Phytochemical	0.5263158	1.1578947	0.10526316
12	C19 H22 O10 N2	439.13474	439.1353	-0.15352833	439.13464	131975	135106	133693	139310	75678	71569	104296	165681	114843	172708	123017	103635	129464	30169	112542	117599	120682	143306	166933	175129	197832	276562	138107	150768	65702	19660	71047	68378	125913	109329	129544	122104	168897	108887	244624	115576	145331	115208	121366	200938	231258	79482	1643	0	0	218069	255756	0	132535	125781	136826	135473	83323	0	174482	67202	63145	129107	184588	113671	147613	174603	168234	128270	57284	123830	89405	134325	54859	58829	66260	127808	113859	111974	85034	111682	0	110783	106546	85848	98224	143730	76294	73615	77180	62679	105678	77764	101690	170104	85697	131289	209349	161260	112251	0	153836	143998	80725	69824	59893	149338	105185	126100	231667	156910	70690	0	73216	184196	Phytochemical	0.5263158	1.1578947	0.10526316
26	C24 H22 O8	439.13873	439.13913	-0.17130794	439.13867	13798	13069	11041	13110	21326	8698	1796	0	17341	34082	27535	0	27784	10169	0	0	0	19782	22027	22893	34701	22945	6673	6445	0	39450	2525	22493	0	0	0	0	3206	2935	47899	0	3572	2962	3242	19171	26592	0	0	0	0	15232	20541	0	3456	0	10190	15950	12728	0	15976	17121	7576	5119	3263	3083	6016	13096	26027	16426	6354	22151	7906	2900	63828	59954	92663	2960	0	0	0	0	0	3168	13764	18045	10130	15069	5498	16733	25839	11516	9333	3517	6250	4539	5293	7763	8524	24264	31869	0	18017	14005	14041	22651	19134	0	0	0	10062	3151	16941	0	4774	22683	Phytochemical	0.33333334	0.9166667	0.0
18	C24 H22 O8	439.13873	439.13925	-0.13762358	439.13867	79184	65411	58913	59816	61784	34566	20857	26694	54089	188284	133764	21464	68437	36770	31807	38458	23909	73526	75974	153595	156462	76041	36534	31882	29742	253500	19975	115861	30985	23262	28621	27506	36909	26499	217664	21058	34323	28668	21049	106259	100301	25671	1531	0	0	74578	80700	0	26915	27132	66494	64506	42532	393	56222	50064	30676	35910	25968	28477	35227	63913	87282	45050	27530	65740	33639	26004	199195	269997	321751	28116	20343	14332	29893	26754	0	17590	55061	56831	44520	69542	31547	80907	64140	37445	51098	29118	35214	35998	40946	52512	48978	72054	98275	0	58318	53010	59567	62023	48590	30101	19987	37434	50372	34902	41509	0	29075	60273	Phytochemical	0.33333334	0.9166667	0.0
28	C24 H22 O8	439.13873	439.13913	-0.1760897	439.13867	6856	5778	5800	7373	11663	2584	1081	0	6883	17307	10908	1532	12506	4478	2668	2117	0	9377	11215	11049	13568	11971	4111	2715	2212	28812	1687	9964	0	0	2435	1278	2937	1393	18677	0	940	1812	2509	8695	12036	2505	0	0	0	7311	10496	0	1207	0	7414	5591	7971	0	11835	6721	3182	2386	2097	1504	2640	6369	12289	5297	3754	10070	5367	2092	30223	32441	44227	1995	0	0	0	1432	0	0	6996	13202	5232	5842	1856	7303	10762	4945	8018	2754	3404	3751	2993	4200	3895	11197	10415	0	6632	5578	7830	9854	13098	3727	1629	2965	3983	2742	7293	0	3182	9037	Phytochemical	0.33333334	0.9166667	0.0
16	C24 H22 O8	439.13873	439.13928	-0.1422678	439.13867	38479	40800	38105	34653	28671	21162	15385	20723	35104	109491	70449	17754	32396	19653	14989	26383	16734	33941	35948	86943	82499	34441	24593	24943	14590	128973	16206	58421	14391	16532	23359	13517	25022	8575	103946	20036	22533	15078	18515	48293	63847	15503	629	0	0	36745	47517	0	22752	18273	37990	35577	26211	0	23334	25945	17106	27128	17233	21045	20421	32438	39843	22379	14570	32867	19425	16248	106829	150774	172965	15844	22039	20439	16607	19721	0	16947	33081	36461	24775	38369	16995	38428	34113	20038	32913	16081	20110	39535	17478	28992	0	34749	45624	0	35075	33363	34905	36450	31128	24528	13414	29616	33327	18795	27836	0	17725	39303	Phytochemical	0.33333334	0.9166667	0.0
24	C24 H22 O8	439.13873	439.13916	-0.18737628	439.13867	30319	31926	29096	31931	35957	17611	4809	9513	36424	90191	60533	6924	49179	20295	10036	15161	7214	38200	41010	67029	65904	42238	18469	13514	11568	131543	6956	51089	6177	4513	5568	6339	9844	5861	105567	5677	12827	11109	9252	47354	54197	10049	0	0	0	34412	49161	0	9020	7699	27366	26177	21596	0	34599	27151	15746	8396	9798	8885	10685	33553	45733	30579	14280	43406	17306	9674	126678	136165	171067	5681	5909	4756	4545	5487	0	7241	19931	33856	18824	30510	10186	45630	56527	22885	20984	13936	16400	13705	14510	16252	12746	50006	52817	0	27099	25984	33581	36227	36698	10856	7106	12530	29503	11307	32383	0	12099	37545	Phytochemical	0.33333334	0.9166667	0.0
12	C24 H22 O8	439.13873	439.1393	-0.103334725	439.1387	7576	6894	8730	6722	4352	2940	4910	5363	5121	13312	8547	4544	2691	2608	4246	5969	6487	3277	4260	7988	12595	10390	3840	7991	4233	14000	4442	9709	3936	5348	5135	4527	3750	4797	17561	3503	4655	3881	7342	9642	16944	2354	0	0	0	8634	11173	0	5520	7518	7166	8612	3841	0	6797	2040	3726	8202	0	11111	0	6488	5140	2852	1670	2960	3464	0	0	17635	29201	3120	4868	4220	4214	3623	0	1670	5166	0	6006	6940	3287	8700	4135	2923	5240	2823	3192	7023	3688	6232	5448	7023	8718	0	5954	7986	5847	5593	4437	5502	3775	4806	0	5694	2398	0	3741	6033	Phytochemical	0.33333334	0.9166667	0.0
22	C24 H22 O8	439.13873	439.1392	-0.17648041	439.13867	59417	63477	61577	52509	64620	40184	13258	20014	71095	167353	142039	14970	68187	44156	22353	25578	15258	66675	67589	149941	150861	80772	30051	22908	23713	259722	12391	109880	18400	12343	17593	16444	22954	13505	201472	17830	25733	17531	19728	95532	93521	22962	0	0	0	86056	92867	0	17710	16869	66567	58433	52597	441	55573	56920	29958	24773	24252	19116	21345	73402	89425	54611	26855	68715	40935	18483	221839	282696	321868	16798	12866	8399	11279	14507	364	13805	55851	63238	34865	65997	21045	81294	76013	44647	45849	30754	31818	22742	42993	48706	27765	88456	114462	0	53670	60286	60073	69454	63791	28041	14240	30340	61948	27118	56888	0	21419	82539	Phytochemical	0.33333334	0.9166667	0.0
24	C21 H26 O8 S1	439.14212	439.1426	0.041229755	439.14212	4663	13924	14302	9577	7915	8818	2915	4750	11964	22013	4438	2008	10248	2922	5108	5609	6123	28320	12284	34326	27109	26584	4758	4896	5657	12846	2050	5503	5043	1775	3439	3193	5531	3371	47634	4194	12548	1686	4460	13111	9480	4831	0	0	0	14482	19430	0	4091	3737	13638	7172	6791	0	7971	5665	4368	8337	5138	8152	7562	12421	4889	5671	3033	9125	7575	4435	10180	24300	19433	2815	2169	1999	4273	3059	0	3510	11604	5980	3559	6758	4403	9626	4318	0	3578	4169	3326	8085	14629	14973	14453	9913	18392	0	17882	7246	5046	4925	5606	2460	2673	18484	14532	11262	4120	0	10094	20962	Organosulfur	0.3809524	1.2380953	0.0
0	C21 H26 O8 S1	439.14212	439.1431	0.35211477	439.14227	99024	89089	88556	94787	12076	92052	1800	70190	7081	0	0	13448	0	0	217529	3665	976	7482	2327	0	0	4174	5673	7880	11917	0	0	0	5042	8326	26168	21693	4048	38045	0	12838	20924	57312	0	0	0	5674971	0	0	0	1403	0	0	75878	8008	88827	92170	4634	0	0	699	30282	45519	0	0	3100	0	0	1395	0	2485	4707	0	576	0	0	20672	24428	8146	0	13421	0	120350	1128	0	0	0	0	0	0	1772	1709	11649	19842	1282	8706	2180	14766	0	0	0	89152	90135	5707	0	0	28996	59047	0	0	22236	0	0	3931	2803	Organosulfur	0.3809524	1.2380953	0.0
6	C21 H26 O10	439.15988	439.1607	-0.117528535	439.15982	33862	62512	28042	47305	15434	20378	33038	43269	28690	63604	40470	27039	47900	10904	45837	54758	54612	33412	22738	59790	49656	37986	45036	65194	15870	14062	19822	0	47090	51146	35386	35898	32531	27862	74134	37336	53192	23035	37872	26714	57290	32624	0	0	510	33500	46032	0	38104	61770	55164	57118	17202	716	27334	18288	23134	24670	32953	34086	35338	29372	24238	32518	22280	30136	20188	53116	16354	14116	27400	44096	47044	51538	27479	46752	482	33972	32710	8386	39474	40434	25574	15670	35270	15044	26840	19218	35288	76750	0	26672	65011	42936	40464	0	57274	30328	17028	18182	34310	36220	22250	67408	0	26092	16589	0	36488	29654	Phytochemical	0.47619048	1.2380953	0.0
22	C21 H26 O10	439.15988	439.16037	-0.13149214	439.15982	112446	91734	94380	97715	88242	86499	49744	116338	118927	223354	77307	62593	135635	44040	94434	76616	35301	169802	116031	174943	182215	108064	99153	109467	82247	84388	38951	55717	95374	79022	96430	92661	96205	87055	205105	95445	110092	77568	43785	128745	67243	53431	2648	0	1099	152633	98984	0	102478	95959	109911	98086	70623	1400	150716	77197	53116	80382	91107	39094	83861	95491	134500	119245	43132	98450	65995	44652	70862	201062	119014	113259	94946	91766	49344	87266	1603	91958	93625	43678	86403	88466	63116	67211	96534	62567	80611	46861	61445	40369	71297	100618	96828	47937	87757	0	104720	102761	72517	79471	64383	80773	65447	94719	93351	81937	75892	0	62416	169501	Phytochemical	0.47619048	1.2380953	0.0
8	C21 H26 O10	439.15988	439.1605	-0.18804945	439.1598	188806	132157	94015	118172	82902	70031	124897	175192	110096	151210	90503	135567	113511	28129	79189	126784	202520	114447	145478	180684	140181	201148	147294	136861	87933	62087	139746	71438	177551	191124	194257	218170	183280	94297	211680	121148	188598	133688	161042	191423	193583	58830	1350	0	818	119771	165326	620	200122	129407	127340	241949	78234	944	96798	51328	44916	190856	167458	112349	131124	154628	127194	73019	41685	94133	82745	240830	77146	150843	281345	206175	115571	190029	146715	158586	700	124704	118064	52082	86508	96204	81035	72494	66728	43561	159776	75530	106724	196388	42484	86162	214128	79019	175705	1324	157886	196972	55743	106470	54211	114585	73395	245704	72816	106009	57360	0	124940	122540	Phytochemical	0.47619048	1.2380953	0.0
28	C21 H26 O10	439.15988	439.16037	-0.094698824	439.15982	8181	6045	8349	6737	3999	7649	3207	8794	5696	22516	6009	4584	14037	3704	7290	7123	3153	9457	8287	22936	16459	9281	10240	9139	6344	11885	3430	7538	5820	5036	5239	5627	8241	6793	18802	7444	7900	3643	3061	8142	7439	2533	0	0	0	9865	8370	0	8364	7904	6950	9136	5110	0	8676	5478	3713	6346	5493	3340	7789	7801	7228	5914	3403	9361	4415	2192	7302	21750	11676	6701	6674	5987	4809	4839	0	5074	6293	3855	5330	5876	4397	7545	5671	3315	6176	3311	4480	2565	4963	8241	9158	4606	5830	0	4980	8299	3195	5429	4466	4864	6023	5265	6773	5815	2397	0	4154	9511	Phytochemical	0.47619048	1.2380953	0.0
12	C21 H26 O10	439.15988	439.16046	-0.11548907	439.15982	636406	689262	685262	680352	339866	270984	502686	357795	428474	1138562	719396	404852	366676	165428	472662	648718	515110	435850	530534	1100830	1030666	792996	504110	773856	345086	596270	444366	274914	573160	577254	588314	605940	594596	515960	1320770	553974	556972	505166	520598	791284	926320	291202	6344	1507	724	741366	775958	850	611266	647626	659654	707778	323208	808	564798	304430	253628	641928	663332	301618	419222	563316	562028	391108	209838	396918	304836	291621	383453	943286	890040	562310	552790	619176	458356	583918	394	479324	526954	205529	535966	267664	477380	498458	411778	254368	498078	258598	326682	636964	436496	530396	616050	466324	588102	2636	706660	682274	413180	294728	320658	623920	404376	743178	293272	503978	166715	974	420658	546988	Phytochemical	0.47619048	1.2380953	0.0
26	C21 H26 O10	439.15988	439.1604	-2.66522E-4	439.15988	11722	12305	10590	9997	10662	8749	2678	9878	11092	38472	8248	7972	21264	6844	9298	10469	0	20479	15022	29199	26829	11014	11904	15370	9982	0	4206	8294	11527	9630	9298	4799	9828	10029	29048	11131	12598	6787	5413	16768	8320	6626	0	0	0	19082	15562	0	9451	8217	12428	8738	7857	0	18988	11634	6572	10123	11762	4561	9270	11329	17871	11248	2599	13629	6780	4079	6887	24857	12581	14692	10643	8544	0	8242	0	9272	10075	0	9364	8838	6509	6687	10424	0	9352	7638	8318	3905	10885	12278	14114	9359	8867	0	12407	11955	8017	6296	7081	9166	6856	12527	9532	8971	6598	0	6318	16261	Phytochemical	0.47619048	1.2380953	0.0
10	C21 H26 O10	439.15988	439.16043	-0.13814333	439.15982	239755	232130	469784	445908	105620	99309	319162	275743	318268	420468	433232	342824	317508	80432	339648	532206	335824	322707	344780	747584	725080	240948	189534	553908	130377	482896	348768	179864	405260	446676	407787	257899	485012	422189	839347	451248	442840	359311	237882	264794	552692	97978	6192	1574	1058	272016	589836	1154	519268	471484	474880	237879	231292	1586	439841	117828	87138	503067	235665	211664	256122	347512	326972	325660	170819	142534	108560	450863	267806	317472	699496	468653	419332	495375	218237	430232	0	314222	467987	127952	400132	388195	381088	173256	312229	198046	206725	94242	222040	425640	296204	330640	248389	359249	225074	2664	472560	473784	304156	132246	244515	433180	292416	292688	220304	182869	120878	0	304189	354376	Phytochemical	0.47619048	1.2380953	0.0
18	C20 H26 O9 N2	439.1711	439.17163	-0.15124112	439.17105	1473466	1229072	1237684	1392017	934695	870457	823850	1530816	1200217	2635879	1334162	835662	1460715	639394	1225967	1113810	674803	1431921	1516735	2694145	2093133	1761374	1207762	1659992	964016	1500237	699917	1004798	1219428	1154189	1393765	1177915	1352749	1135987	2916921	1241693	1615126	950436	771030	2209298	1298322	766672	24368	3739	1894	1673646	1035445	2080	1398306	1074938	1421355	1384270	829170	5559	1653052	800285	562073	1187217	1383449	640071	1089680	1250965	1307167	1084064	503261	1167202	986224	833723	1306240	2451946	2103774	1246487	1123875	1190068	691047	1259919	1245	877818	1120485	861730	1009146	1143015	822292	1166851	853415	689188	892921	739412	896314	842350	1543514	1478697	1753783	983945	1483325	7056	1234256	1235363	1017114	661829	653453	1277329	815279	1547398	847304	1123130	769310	2744	799099	1410939	Phytochemical	0.45	1.3	0.1
20	C25 H26 O7	439.17514	439.17563	-0.12162687	439.17508	155176	141114	140404	137220	145622	86328	67098	94124	138493	259700	231102	64927	142394	113999	89205	118954	75336	124989	151441	308459	323605	151898	93072	124993	80825	588304	68952	209833	90855	87659	80253	85313	115716	83369	319686	76814	109256	79341	78016	228094	232231	82862	4063	0	493	134954	156970	0	86852	83809	144779	155052	102739	878	121781	116133	77657	109398	84663	83245	108436	141472	136293	110034	62718	125518	94342	82813	466050	573836	735948	91902	72192	77964	73600	86986	429	70489	134341	102960	112973	92372	81509	220423	151490	85022	139804	78289	86175	123072	114325	114211	157228	122570	133442	1270	142877	139337	124183	131382	117133	103211	72972	126828	108890	95570	110405	1221	90414	134112	Phytochemical	0.28	1.04	0.0
28	C25 H26 O7	439.17514	439.17557	-0.21574622	439.17505	9785	10474	9359	10146	11202	5861	4589	4724	12994	18414	15313	3381	18939	7789	6375	8365	5658	11771	13954	15466	19601	10805	7910	7355	4450	43561	3349	17754	4674	4755	4172	3529	4985	3786	22171	4724	4137	3441	5842	13803	16377	4749	0	0	0	9290	11185	0	5791	6305	11945	9648	10213	0	10027	10772	5112	6286	3419	3697	7906	10124	13141	7589	4965	16160	8468	5382	53018	44538	72199	3554	3114	2231	3177	3809	0	3338	8304	15412	7957	6156	4320	11248	14695	6118	11097	5388	5627	6169	6262	7711	7167	10541	13836	0	9060	8724	8850	17949	15330	5152	3408	8550	7090	6741	7983	0	4598	11792	Phytochemical	0.28	1.04	0.0
26	C25 H26 O7	439.17514	439.1756	-0.17253251	439.17505	32030	29232	28430	27224	34804	18726	6667	14201	32110	52960	52531	11683	44558	20723	13101	14486	10768	38317	42719	60751	63878	29429	15995	21945	10943	134551	4707	49288	11364	8975	15571	10498	15014	11639	64623	13149	20634	12805	13185	47467	57702	11837	0	0	0	26198	41493	0	13292	11880	29865	27161	25939	0	27488	32027	18215	17734	12439	10195	21040	31650	43076	23716	11030	36882	23614	15383	148964	119498	181256	10310	11469	8298	7916	11441	0	10632	31132	28541	23805	23460	14210	36331	45186	23120	26247	14329	16147	15225	16432	20779	21820	29416	36246	0	29551	29588	27403	47561	39478	15316	8391	18874	16433	14628	32136	0	15187	33579	Phytochemical	0.28	1.04	0.0
24	C22 H30 O7 S1	439.1785	439.179	0.056523617	439.17853	15415	16878	15235	17652	11657	22082	11044	8311	7686	46350	15329	3304	18426	7908	8494	21104	16318	18507	18469	45121	74308	40987	6139	27496	21930	20979	6998	19332	9877	4922	7341	8380	24882	11294	47726	19620	15583	6355	10299	35383	32232	7347	0	0	0	22390	18017	0	8401	5401	30452	17767	20864	0	11090	9576	7670	18962	17863	8499	9252	26423	9701	9011	4027	17358	8065	18220	30860	32903	45214	5747	6649	5104	8579	7475	0	3939	19558	17486	10902	39076	18580	19969	19512	6737	14567	10443	16464	13929	45681	52304	18776	23555	38070	0	17830	15275	18264	7647	10870	9325	4066	16355	16034	24212	8406	0	9107	16833	Organosulfur	0.3181818	1.3636364	0.0
6	C19 H26 O8 N4	439.18234	439.18295	-0.18667	439.18225	14014	12833	12233	10733	6442	9105	7075	16574	5371	6868	5110	8358	3929	3190	10397	17426	10970	9314	12001	6741	6310	17570	10794	16145	9200	768	6906	25918	9312	8362	12687	12947	13558	10271	9369	11377	18844	8649	14450	6321	8209	7769	0	0	0	8832	5808	0	14885	12340	13446	14919	6651	0	6503	3066	4627	15047	9539	7767	15684	5650	7836	5799	3134	7763	9326	18596	0	1934	0	11568	11085	8566	3556	11033	0	8350	11212	85412	8694	4841	6138	3157	4259	5559	12265	6885	11391	22173	57475	34080	31501	18452	8288	0	14606	10519	3729	2904	3462	17103	9319	13433	0	14527	4611	0	8264	8165	Peptide	0.42105263	1.3684211	0.21052632
8	C19 H26 O8 N4	439.18234	439.18292	-0.17464012	439.18225	10718	12492	9793	10817	3957	2556	7117	13745	4534	5656	4240	6968	5608	2520	12685	16037	10552	7615	8404	6760	5590	17539	10038	16091	9046	0	6752	4215	11332	12277	10268	14784	13905	9591	8647	10401	13284	13079	11295	10007	5510	4405	0	0	0	9409	5819	0	15044	10064	8889	8770	5238	0	8908	1731	4560	11732	9810	6515	15707	5011	4428	4655	2802	6878	6720	14174	0	0	0	12811	11049	7873	7069	9258	0	6988	12065	20442	9964	5048	7308	3698	3620	5568	10755	4674	5421	25656	28812	31127	31754	8610	6695	0	11646	10743	2864	1542	2797	13855	8933	16743	0	12098	3871	0	12089	6381	Peptide	0.42105263	1.3684211	0.21052632
4	C19 H26 O8 N4	439.18234	439.18307	-0.13670355	439.18228	6869	6448	4309	5498	2750	3847	4155	6710	3152	2309	0	2839	2838	1492	4835	6322	7839	4328	4676	3222	2028	8751	4671	6508	3541	0	3677	5605	6951	4341	4840	5745	8065	3166	3826	4951	5945	5417	9269	4271	4145	2607	0	0	0	3033	3892	0	6271	3835	5782	5890	3217	0	4338	1957	2731	6358	3133	4265	6519	2003	4446	4043	2082	3473	3243	8760	0	0	0	4031	3316	4015	2173	3197	0	3723	6032	75729	4079	2240	3092	996	3327	2812	5306	3743	4021	10866	34407	19165	13600	6995	5459	0	5966	6132	2601	3677	2152	5379	2663	5147	0	7669	2409	0	4405	4865	Peptide	0.42105263	1.3684211	0.21052632
20	C19 H31 O6 N2 S1 Na1	439.18732	439.1878	-0.34704453	439.18716	53548	44056	44908	44328	39912	34300	37812	72301	40848	87972	59184	30060	64672	33436	37936	55480	40956	58260	48428	119112	81928	53696	44024	51532	39328	90724	55916	69624	39468	59004	54448	43508	59072	45808	129620	45380	56464	38392	49220	74676	75700	40896	0	0	0	35780	54792	0	62404	47444	56144	52624	30356	0	49804	35522	20860	53336	31084	29892	62136	30768	50894	31424	22340	43132	32432	44432	94724	99980	91748	47532	46244	50492	24476	31976	0	40580	47012	61672	43660	50024	48440	53856	29876	24784	50108	41536	27776	46848	81564	54960	54020	37644	40440	0	70500	61928	29020	19900	32948	51584	26830	56072	32536	46892	17400	0	28536	48996	Organosulfur	0.31578946	1.6315789	0.10526316
0	C17 H30 O11 N2	439.19223	439.19302	0.09004769	439.19226	2700	3675	3784	2252	1547	0	0	5702	1196	0	0	2067	3628	0	0	0	1140	4747	3751	0	0	2484	2486	2939	1746	0	0	481	4711	2991	4696	4154	10364	23431	1543	0	8079	1690	2048	0	0	5680	0	0	0	0	0	0	7199	2218	2337	0	1759	0	1548	480	0	6014	383	0	0	0	0	2035	0	3796	7666	1733	0	0	0	25903	16479	4631	0	3803	0	3483	3325	1260	0	500	0	0	0	0	3324	11963	4526	0	2500	2346	4663	0	0	0	0	3138	0	0	0	3439	0	0	0	5561	0	0	2393	6413	A-Sugar	0.64705884	1.7647059	0.11764706
26	C22 H30 O9	439.19626	439.19675	-0.15906632	439.1962	17670	17410	16121	20400	17082	13555	8381	26776	20084	40067	13037	15521	28160	9690	23689	17759	8251	24696	36113	34927	33777	17845	19370	20820	10547	13544	6103	11992	21289	12099	17347	17207	20258	17362	43710	18756	26294	18511	8534	20473	9964	8342	0	0	0	17366	11935	0	22379	18432	19078	17943	14403	0	29759	14583	8582	20656	13415	6811	22455	11498	24833	23985	6463	15153	14439	7988	10668	35275	20619	21397	18366	21833	10551	15330	0	16484	17018	0	18335	9433	15433	8803	16274	11867	14355	9798	14567	6035	19501	22966	28268	6876	17024	0	19131	19067	12740	12106	15036	18698	13915	15385	7867	16262	10731	0	10054	28229	Lipid	0.4090909	1.3636364	0.0
8	C22 H30 O9	439.19626	439.19693	-0.12548152	439.1962	32171	29487	23159	51938	9900	13297	19557	63786	14745	21734	17705	19526	10093	7247	36244	39920	33777	8368	13850	38585	35321	46552	41541	37274	35246	11422	23762	34786	37350	66184	44637	56245	52295	23007	33440	33140	54178	39259	36681	15200	27054	24278	0	0	0	26474	27992	0	35209	39264	22548	51758	11147	526	35282	14786	9105	46109	44995	46866	32213	11282	17432	23773	11382	13312	12104	31995	12966	18922	19827	42863	34770	66581	36042	30627	0	18821	27714	34147	26850	17205	42891	14022	12944	9280	50355	9878	9426	58866	258060	120126	45918	21438	36323	0	32999	30899	14620	16179	11778	30571	20165	35056	0	34817	11416	0	44623	11102	Lipid	0.4090909	1.3636364	0.0
20	C22 H30 O9	439.19626	439.19672	-0.13893394	439.1962	719443	737010	730781	626317	481908	534923	401542	853913	681818	1667407	497620	364292	791207	328558	770099	600804	248065	878542	966065	1499721	1139871	771220	639845	787025	699131	494096	325571	501316	898909	701747	759010	693130	915950	639680	1824213	721890	1015840	544005	285028	868294	289475	438902	15382	3255	1511	719300	299548	2327	746016	623268	721066	715131	481638	3534	1056175	490197	318998	715956	870709	199159	654618	493760	802697	697321	276367	600040	464312	288228	400146	1211018	502948	782546	715639	807997	347196	676381	1342	624157	516781	264811	465796	320150	533322	448478	428605	369581	451062	340028	500305	311833	792520	965506	952390	323117	523848	5463	705180	764059	399177	340770	359564	751045	463912	852311	363922	667201	363727	3325	427104	921299	Lipid	0.4090909	1.3636364	0.0
28	C22 H30 O9	439.19626	439.19672	-0.16246685	439.1962	5266	6211	7439	8026	5868	6861	4933	7644	6741	17550	6639	4053	12710	4032	5043	6555	4168	10889	11265	21285	14202	6167	6413	7547	5890	7685	4435	7615	9084	6930	8789	6901	10468	7808	19023	10309	8488	5255	3425	7949	4722	3017	0	0	0	7152	4463	0	8447	10282	8731	7991	5396	0	10310	4803	2547	9993	4959	2305	11852	4251	12208	7157	4456	6833	5394	5631	7738	20056	12198	9293	6469	9855	4225	6318	0	5385	7882	4174	3829	2842	6402	5089	5525	3795	6343	4224	4142	3119	7786	11286	10410	3590	6803	0	6691	7847	4049	3845	6278	9544	3851	8274	4917	7304	3285	0	4319	9205	Lipid	0.4090909	1.3636364	0.0
18	C21 H30 O8 N2	439.2075	439.20798	-0.21769032	439.2074	25911	25729	26172	27628	13588	15918	16827	38245	13919	24234	9570	19494	21905	7441	29424	26420	14905	26009	27231	30902	19184	37625	28160	31576	26252	6753	16661	13430	38582	32458	35326	36592	41162	27973	31738	31122	40446	19379	19198	32461	10509	16570	0	0	0	30223	14294	0	38947	25990	29143	24139	15418	1919	20320	0	12186	41708	30704	12230	34869	12832	15734	16144	6647	17925	19109	15039	4175	20276	10343	33557	32437	38352	14786	30870	0	18534	20034	11317	16277	12248	22872	12567	9232	14602	18312	14020	18931	33629	41393	52680	63195	12404	23702	0	27685	27628	9720	5465	6636	36660	14575	37750	10340	31392	8517	0	21209	21012	Lipid	0.3809524	1.4285715	0.0952381
4	C21 H30 O8 N2	439.2075	439.20822	-0.19930714	439.2074	9627	9921	7837	12167	4900	5590	5929	14093	5439	8412	3262	5286	8434	3204	9970	11293	7970	8850	9726	11375	10889	17360	9257	13337	8057	3194	6745	4306	10049	7486	9675	12363	11482	10011	13339	11560	12151	7085	12225	11673	7405	4863	0	0	0	12062	8528	0	12715	10569	9417	8223	5470	0	9744	4431	3391	11214	7478	3909	12063	5535	7167	6163	2960	6125	5306	8304	2452	6327	5598	10751	8643	9994	4128	7417	0	7148	8262	8333	6908	4801	6699	6174	5521	5144	8020	5808	5962	13618	18407	19653	22466	7465	10964	0	7324	10189	3410	6304	4648	11714	6336	15669	7706	10432	4447	0	8216	6791	Lipid	0.3809524	1.4285715	0.0952381
14	C26 H30 O6	439.21152	439.21204	-0.22705135	439.21143	15314	9129	12470	12276	4065	3177	10119	12176	5873	5584	6980	11596	3802	0	11329	14305	16872	3534	6855	12777	10155	16849	8799	14568	10676	11196	14148	8071	7938	15475	10889	7885	9811	5799	7827	10975	11665	11846	21787	6608	8005	6107	0	0	0	7799	13122	0	11039	12557	11759	11182	4388	0	7720	6173	7576	12906	11024	14407	0	5758	4421	4987	6734	3965	3985	24099	0	8387	18954	6242	7143	12717	14552	16803	0	10024	17794	0	11598	7510	13451	8121	7941	6293	17234	3802	6827	22641	7009	11492	17427	6177	5301	0	13970	12264	6488	8085	7154	13265	11478	15198	0	13694	5934	0	13336	0	Phytochemical	0.23076923	1.1538461	0.0
12	C20 H30 O7 N4	439.21872	439.21915	-0.01603028	439.21872	2164	0	1727	0	0	1298	4713	3619	0	0	0	0	0	1356	2195	2627	0	2101	2220	0	0	0	2371	5829	3594	0	0	0	0	2921	1573	2440	6447	1458	0	0	1884	2558	5945	0	0	1611	0	0	0	2540	0	0	2937	1804	2942	0	1845	0	1569	0	0	4290	0	0	0	0	0	0	1103	0	1968	0	0	0	0	0	0	0	0	2039	0	0	5166	0	7304	0	1575	0	1340	1243	5457	0	0	23864	8128	3523	12302	0	0	0	0	0	0	0	0	0	1701	0	0	5592	0	0	6192	1798	Peptide	0.35	1.5	0.2
2	C20 H30 O7 N4	439.21872	439.21957	-0.0458989	439.21872	2224	2235	2403	2459	1049	0	3594	3286	898	823	2069	2098	1149	402	3482	1147	3045	1732	1576	952	1106	3658	2930	2178	2046	0	0	16912	3055	2003	2467	2839	3714	2545	1376	1925	2848	2003	5002	996	949	0	0	0	0	926	861	0	3339	1352	2416	2179	1734	0	978	461	849	3454	970	909	1066	584	1013	933	0	1558	1430	5333	0	0	0	1959	2301	2145	0	2228	0	1467	3048	69028	2125	0	1104	486	825	1079	4187	2394	1704	5848	32267	18929	8198	4481	0	0	2606	2735	855	560	598	3689	1888	2292	446	4081	1059	0	3060	1238	Peptide	0.35	1.5	0.2
6	C20 H30 O7 N4	439.21872	439.21942	-0.09183171	439.2187	8689	6997	5121	8203	1019	4982	2856	6186	812	1361	1906	2291	0	840	4728	4593	3954	2656	1893	1959	1975	5919	3720	6142	6259	0	2563	29060	4941	4295	3344	4561	7453	3691	2680	3790	4989	2730	3937	2745	0	2979	0	0	0	2597	2265	0	5694	4519	7682	8298	2705	0	2392	476	1600	6165	2486	1747	6396	0	1842	0	761	1598	2321	4611	0	0	0	4297	2868	4614	0	4307	0	2943	3621	136696	2808	1478	1634	1147	1809	1254	3707	2238	3003	8751	127858	47893	13650	17302	2532	0	6621	7690	0	731	745	3543	2726	3721	0	7402	811	0	3089	1730	Peptide	0.35	1.5	0.2
4	C20 H30 O7 N4	439.21872	439.21948	-0.10777892	439.2187	2833	3864	2636	4696	1091	3777	1316	2330	749	0	0	1360	1090	0	2831	3333	2960	2098	2187	1299	0	3526	3263	3025	3297	0	2084	12084	2745	1571	2552	1950	3866	2090	1782	2348	3591	2629	3562	1903	751	1221	0	0	0	0	1464	0	2701	1880	3219	3756	1154	0	1789	661	1052	3975	1446	583	2521	0	1268	1018	0	1486	1847	2559	0	0	0	2709	1777	2018	1128	1669	0	1961	2392	117618	2049	685	929	609	603	1035	2762	1060	1817	5638	86362	33756	8338	7332	2992	0	3287	3930	1192	795	570	3063	2350	2659	0	3623	819	0	2143	1617	Peptide	0.35	1.5	0.2
6	C27 H34 O3 S1	439.23013	439.23056	-0.47007504	439.22995	2005	0	2179	1473	0	2166	2127	1733	0	1668	1034	808	0	571	1036	3445	0	0	905	0	939	1440	1235	885	2609	0	1145	22100	933	1885	2713	2361	2890	0	1659	1944	1304	1630	841	0	981	0	0	0	0	0	0	0	1104	1627	1930	1680	938	0	1107	0	0	1770	0	0	2389	0	0	0	0	681	838	0	0	0	0	790	1220	1858	0	1154	0	1154	1376	12861	0	0	561	0	0	0	1289	0	0	3050	85377	49825	4142	2457	1783	0	1733	1632	0	0	499	1005	1266	0	0	872	0	0	1209	0	Organosulfur	0.11111111	1.2592592	0.0
26	C23 H34 O8	439.23264	439.23312	-0.18718517	439.23257	26677	25676	23742	20631	20477	19035	21535	30994	27537	44066	14346	14029	40798	18637	51293	23510	12758	41428	53214	49617	43080	26848	20989	22173	29665	12592	13002	24571	40655	24381	31344	25101	38262	24938	54639	35477	49534	34979	13903	28038	9234	16634	0	0	0	19461	8137	0	29370	23595	23813	29248	19422	0	42992	29112	12719	24368	32460	6516	31893	15246	37795	26564	11456	31157	23280	14566	16468	45440	19344	25416	26599	28382	9737	21850	0	23321	21399	9777	15984	10610	25217	18845	20845	8763	23542	14793	22845	13924	42100	46490	45139	12716	23136	0	27054	28972	13510	18243	15570	44285	18989	28407	17954	23217	13814	0	16556	32690	Lipid	0.3478261	1.4782609	0.0
12	C23 H34 O8	439.23264	439.2332	-0.26025975	439.23254	9237	8149	8731	7953	1863	2566	7583	10719	3873	3759	2329	6469	1651	1915	9725	15052	15890	4240	3012	4124	4150	5113	5661	7126	7274	5103	10662	0	11037	10637	7293	11741	8965	6548	1746	10612	8585	7506	11212	0	0	4864	0	0	0	7770	4522	0	11239	9757	12599	8843	3377	0	7716	4283	4780	10034	4864	0	0	2964	2663	2794	3662	1882	4844	13307	0	2752	3657	6324	8496	13298	20506	10510	0	6963	10320	0	7470	2630	5934	0	4724	4636	12539	2108	3392	15152	9279	8549	12960	3208	6918	0	10682	8229	2786	8877	7932	11713	5990	9396	0	5461	6547	0	10152	3475	Lipid	0.3478261	1.4782609	0.0
12	C22 H34 O7 N2	439.24387	439.24448	-0.080042586	439.24384	6482	5537	7065	0	1817	2649	0	7302	2400	6641	7758	2260	2661	887	3490	6309	2413	1946	2764	3192	1824	10144	2445	4113	4129	0	2448	15947	8062	4280	6625	4282	8175	5943	3344	5242	6635	4279	3379	4401	5140	3609	0	0	0	5047	0	0	5788	5462	5822	0	2374	0	2384	0	1456	9003	9937	13611	0	0	0	2215	1466	1928	1932	7237	44116	3564	5683	3564	3977	3979	3430	3058	0	3296	4256	0	2388	1198	842	1536	1283	882	6011	1360	2556	12875	17328	8416	10574	6892	1895	0	4994	0	3854	0	0	4137	4285	6517	0	7938	0	0	5133	3363	Lipid	0.3181818	1.5454545	0.09090909
20	C22 H34 O7 N2	439.24387	439.2444	-0.002289123	439.24387	3707	4405	5037	4139	3344	2845	5537	7368	1234	0	0	2498	0	0	5131	9162	4914	2816	6713	3328	0	3209	5169	6384	6753	0	4315	2017	2358	4653	5042	8710	5355	7209	2552	6470	7228	5168	5613	2772	1671	3398	0	0	0	2870	1813	0	6927	5136	4606	4480	3288	0	3586	1852	1797	10237	3618	3442	7161	2050	0	0	1652	0	0	7754	0	1657	0	5095	5717	3263	5857	3506	0	4369	3268	1792	1560	0	3038	0	1539	3866	6278	2109	3144	19885	20707	12743	10364	0	2376	0	6048	4918	0	0	0	9201	4374	4112	1306	4084	1726	0	5567	2964	Lipid	0.3181818	1.5454545	0.09090909
18	C22 H34 O7 N2	439.24387	439.2444	-0.07364198	439.24384	5307	8228	6367	6461	1787	0	10216	10088	1613	2703	2073	6313	5153	0	6721	13228	5947	0	3798	2297	3200	3985	3659	8494	5265	1554	5617	2695	12803	13530	7612	12233	10466	8530	0	9482	14458	4265	4667	0	0	3286	0	0	0	4539	2700	0	19775	8057	8470	5364	2960	0	2904	1862	2593	11031	2840	3557	8589	2190	0	3194	0	2960	3293	9260	0	0	0	6766	8081	7733	11483	10189	0	5357	5556	2113	3292	2339	5936	2084	0	2257	9693	2472	6403	110109	12826	9287	9227	1442	3677	0	6778	7481	0	0	1350	10747	4232	10427	0	8204	0	0	5971	2073	Lipid	0.3181818	1.5454545	0.09090909
16	C27 H34 O5	439.2479	439.24838	-0.27754524	439.24777	5965	7994	6045	6221	6007	2380	12115	5938	5074	1659	3464	6742	2069	3248	5930	9079	20709	2495	2218	2153	4889	4780	7014	6962	4995	2376	11504	3027	0	10039	7525	0	5730	1202	3862	5980	5642	9135	21817	4747	6172	3674	640	0	0	1934	4889	0	7255	6430	6114	4600	4300	0	3682	4696	4440	8880	2936	11182	8311	1689	4322	4606	4400	2563	3597	20344	3715	5867	7105	1684	4076	8121	13290	8161	0	6239	14670	0	7064	4426	5445	4663	9918	5456	17057	1400	2375	0	3410	6269	0	2354	2953	0	5951	7607	3544	7172	13989	6644	6166	4731	0	0	8837	0	9712	2113	Phytochemical	0.18518518	1.2592592	0.0
12	C20 H38 O10	439.25378	439.25436	-0.189688	439.2537	6046	4543	5083	3748	0	0	0	0	0	3055	10551	0	0	0	0	2075	0	0	0	4442	0	4985	0	0	0	0	13332	16366	0	1594	0	0	2413	0	0	3801	0	0	0	0	0	983	305	0	0	8658	24641	0	0	0	5821	4921	0	0	0	0	0	2945	0	0	0	2515	0	0	0	0	0	0	0	4215	24515	0	0	0	0	0	192	0	0	0	1111	0	0	0	0	0	0	0	0	6582	19247	11243	4352	0	9053	0	3803	0	0	0	0	0	0	15574	0	0	0	0	0	0	Lipid	0.5	1.9	0.0
18	C20 H38 O10	439.25378	439.2539	-0.29771858	439.25363	15009	9910	15776	14623	12544	8146	12514	21340	6636	6654	8202	10410	12224	4019	14532	21205	18082	12667	14911	19143	19930	11502	12748	17169	11649	27062	12120	11264	16456	19976	13750	13108	20047	18393	7842	17926	17825	11187	13762	11295	11138	10294	3059	2292	1134	8810	14834	2188	16531	15176	11554	12146	11597	1536	13241	8248	7218	17486	10829	10922	23140	2277	10393	7268	5801	8851	5868	20242	19833	19203	25692	12536	13800	14757	17973	15402	1440	9765	14472	9900	11656	5928	11983	7110	11526	8142	14028	9770	9842	18043	19937	32706	25233	7204	12007	1952	12947	17880	7948	9561	13792	22744	8315	18871	6752	13332	11150	2309	9640	9727	Lipid	0.5	1.9	0.0
26	C23 H38 O6 N2	439.28027	439.28064	0.10164429	439.2803	2305	2721	1891	1833	0	0	0	0	0	0	0	0	0	0	16624	59901	0	0	0	0	0	0	5842	41196	15565	0	0	0	0	0	0	0	0	0	0	0	0	11582	0	0	0	0	0	0	0	0	0	0	0	0	2212	2821	0	0	0	0	0	40320	0	0	49299	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9245	0	6894	0	0	0	0	0	17896	0	0	9585	2401	2140	9919	0	0	0	0	0	0	0	0	0	0	0	0	2246	0	0	18695	0	Lipid	0.26086956	1.6521739	0.08695652
20	C28 H38 O4	439.28427	439.28473	-0.20611401	439.2842	11047	9670	10570	9242	8409	3777	22807	7226	7670	2437	2713	10679	5781	7837	11794	14053	52044	2723	7690	0	2386	3723	8044	8160	9053	2870	26653	5902	12889	17675	8454	13653	16415	2794	1989	18851	8480	14637	55192	1399	6751	7847	0	0	0	2213	6263	0	8831	12386	7022	9596	10910	0	13959	13769	9027	13842	4236	12903	7965	1302	7106	8364	11278	7082	7183	59661	1803	1897	4386	1696	5462	19805	40792	18425	0	6636	20332	7342	11531	2185	10042	0	29986	12503	22249	3352	5555	43800	8225	6994	11803	2469	0	0	7893	7645	17260	25567	29643	17264	8941	7133	3180	8201	21712	0	15318	3208	Lipid	0.14285715	1.3571428	0.0
16	C28 H38 O4	439.28427	439.28473	-0.082644604	439.28424	0	0	0	0	0	0	1180	0	0	0	0	0	0	0	0	0	1709	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1455	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35077	8709	0	3026	0	0	0	0	0	2520	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1579	0	0	0	22962	50932	0	0	0	0	0	Lipid	0.14285715	1.3571428	0.0
10	C22 H38 O5 N4	439.2915	439.2919	-0.19226335	439.2914	0	1536	3103	1064	0	7949	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24193	0	0	0	0	0	0	0	0	0	0	0	0	0	4148	0	0	0	0	0	0	0	0	1733	1773	0	0	0	0	0	0	0	0	0	0	0	0	1410	0	0	0	0	0	0	0	0	0	2083	0	0	0	0	178808	0	0	0	0	0	0	0	0	0	0	177918	19779	0	10645	0	0	1180	1758	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22727273	1.7272727	0.18181819
22	C25 H42 O6	439.30542	439.30573	-0.35726663	439.30527	1788	1505	1499	1667	0	0	25925	0	0	0	0	1696	0	0	0	3017	3998	0	0	0	0	0	0	0	0	3185	19945	1950	3858	3037	1492	0	1714	1850	0	2712	1722	1340	5035	0	1598	1295	0	0	0	0	0	0	3513	1122	1900	1984	3181	0	0	0	0	2045	0	1086	2312	0	0	0	1933	2565	2091	4145	0	0	0	0	1390	1676	6095	2391	0	0	0	1317	0	0	15460	14824	0	0	5940	0	3327	6869	0	3442	0	0	0	0	1357	2452	0	0	0	2370	0	0	0	1504	0	0	0	0	Lipid	0.24	1.68	0.0
26	C25 H42 O6	439.30542	439.30582	-0.23953633	439.3053	32279	29510	34998	33842	8212	4481	242339	70646	4063	14397	16595	25344	0	37225	26329	119019	14199	0	12777	15992	9224	3750	0	0	21778	18275	202357	45245	69759	136214	79610	74467	166837	9012	28148	92390	108737	22077	19854	6507	10429	15325	0	0	0	6178	0	0	248069	82706	38309	37805	33900	0	0	0	12944	242130	25731	11590	156956	16155	12629	5408	31496	25941	33614	20446	0	17337	4592	5113	6740	190733	9472	84044	0	79538	7428	33717	3415	10685	49866	33682	6354	9480	18590	5403	15245	15623	44064	34246	7267	7805	7707	0	38439	39588	6893	4693	7370	144899	41883	19921	41998	78486	4672	0	7924	3815	Lipid	0.24	1.68	0.0
28	C25 H42 O6	439.30542	439.30582	-0.23567346	439.3053	3720	3991	3450	4761	1411	1178	56354	3545	1900	2292	4940	1930	0	6873	2224	3373	4031	0	3257	2407	2359	1043	1925	0	2759	4272	45732	11924	7152	6933	3326	5545	7865	3552	2126	7346	13702	2423	3666	968	1083	0	0	0	0	2119	0	0	7450	3185	2998	3832	3271	0	2719	3021	2055	5276	22296	2886	5947	10778	2536	1439	5178	6906	7050	4948	2425	1535	1710	1857	2550	7217	0	4190	0	2928	1791	7308	1028	4334	5620	5478	2299	3136	5769	958	3014	5519	9103	8930	2675	1768	0	0	3951	4843	1834	2741	5344	7557	2580	4070	29500	4427	2243	0	2371	0	Lipid	0.24	1.68	0.0
24	C25 H42 O6	439.30542	439.3058	-0.26066384	439.3053	5393	9980	6095	8721	4144	2797	155940	5635	2650	2257	4959	3617	3344	20080	2567	8171	18222	2224	2955	1568	1500	1616	2588	0	3864	12098	121220	12132	8975	10422	6165	9987	10597	6739	2452	12424	7954	3220	22362	990	5268	2677	0	0	0	2761	2547	0	13964	6673	7299	9654	10686	0	1562	3516	2729	6408	2741	9067	14968	1175	8234	0	16217	15242	16853	15751	2436	2882	3830	3365	2974	11837	12259	8017	0	3715	4775	9251	1425	6381	39856	48002	1224	4004	7559	1882	6507	23447	13465	9569	4350	1460	0	0	10157	7104	3558	3228	4963	14248	3844	8197	5071	5471	1430	0	7690	1979	Lipid	0.24	1.68	0.0
22	C29 H42 O3	439.32068	439.32098	-0.26020834	439.32056	2616	3342	3845	5807	1915	0	8199	3752	2033	0	0	6745	0	0	5196	9110	47323	0	0	0	0	1653	1951	1400	7705	0	12815	1512	4045	12779	6113	5976	2615	1505	0	8257	1863	8612	48117	0	0	2326	0	0	0	0	0	0	3915	12020	3863	4495	1206	0	3287	1893	3075	7173	1246	4362	3802	0	0	1172	4036	0	2665	50117	0	0	0	0	3725	8183	31697	11067	0	3243	7535	2622	3534	1477	0	0	4376	2997	23153	1657	0	49378	1942	2752	1620	0	0	0	1900	1423	3097	6042	6575	6348	4884	1746	0	4005	3349	0	8739	0	Lipid	0.10344828	1.4482758	0.0
26	C26 H46 O5	439.3418	439.34167	-0.36954537	439.34164	0	2070	2088	1854	0	0	82705	0	0	0	5161	0	0	17136	0	0	0	0	0	0	0	0	0	0	0	6847	72808	8207	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2084	0	0	0	0	0	0	0	2385	3340	4998	0	4287	0	13001	0	3170	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2809	6309	10502	0	0	0	0	0	0	5037	3324	0	0	0	0	0	0	2903	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1923077	1.7692307	0.0
28	C26 H46 O5	439.3418	439.34192	-0.23468158	439.3417	1319	1532	1762	1592	0	1109	40325	0	873	771	5095	1195	0	5262	0	0	0	0	0	0	0	1087	0	0	2023	6004	30499	8067	0	0	1159	1037	0	0	1041	0	1033	1514	1852	1147	1215	0	1435	1244	0	0	0	0	0	0	1153	0	943	0	0	0	1293	1230	4061	1976	3697	2008	1819	0	7099	0	1894	0	3879	1927	0	0	0	0	0	1824	0	1570	0	5213	1148	2334	2946	3796	0	0	2266	0	1592	2051	3309	1937	0	2491	0	0	1394	1911	2259	694	0	0	1199	3949	4759	842	0	0	0	1353	Lipid	0.1923077	1.7692307	0.0
26	C30 H46 O2	439.35706	439.35727	-0.24989474	439.35693	0	0	0	2814	0	0	6599	0	0	0	0	5112	0	0	0	0	27251	0	0	0	0	0	0	0	8280	0	7470	0	0	10644	0	0	0	0	0	6236	0	10443	22590	0	0	0	0	0	0	0	0	0	2071	13039	2564	2573	0	0	0	0	0	1624	0	0	0	0	0	0	0	0	0	27443	0	0	0	0	0	13409	0	5530	0	3457	20134	0	4788	0	0	0	0	0	41386	0	0	24922	0	0	0	0	0	0	2280	0	0	0	0	0	5361	0	0	0	0	0	9918	0	Lipid	0.06666667	1.5333333	0.0
28	C30 H46 O2	439.35706	439.3574	-0.25832206	439.35693	1416	966	923	1192	0	0	7097	3318	0	0	0	3279	0	0	3987	3193	10354	0	0	0	0	0	2022	0	8441	0	5606	0	0	7484	1963	1622	1189	0	0	4290	0	6677	9312	0	0	0	0	0	0	0	0	0	1034	5029	1786	1468	0	0	0	0	1700	1933	0	0	1938	0	0	0	1338	0	1146	13195	0	0	0	0	0	21709	0	3241	0	2488	23317	0	4249	0	0	0	3430	3105	47836	0	0	12589	0	0	1839	0	0	0	1577	0	1466	3220	5072	3221	4844	0	0	1016	2452	0	8726	0	Lipid	0.06666667	1.5333333	0.0
20	C18 H17 O12 N1	440.08234	440.08292	-0.0410521	440.08234	5437	3838	5721	3556	11072	7729	0	2198	20810	3666	4031	3209	33224	5056	2471	2997	0	23207	13235	4007	7123	9160	5723	3538	1318	0	1389	1810	0	0	1857	0	4942	1262	5185	0	3504	1971	1553	3554	7224	6859	945	0	0	7932	16220	925	0	0	3561	6345	8387	240	24783	20811	6700	2420	3411	2446	1822	7451	27711	18835	6644	16242	3690	1466	3259	0	0	0	1492	0	1654	0	364	2483	4753	9118	4304	9352	1329	0	23808	9052	1559	6377	5331	1829	4421	4894	4820	16680	10154	0	5460	6357	8973	16052	20089	1769	2683	1465	14555	1852	14751	0	0	30045	Phytochemical	0.6666667	0.9444444	0.055555556
12	C18 H17 O12 N1	440.08234	440.083	-0.063849814	440.08234	11932	13939	11483	7683	24029	9244	0	0	33097	9870	16405	7048	41225	6517	5077	2104	7618	29795	31624	5689	21756	34770	11322	2846	0	823	1516	0	2448	1684	2332	2313	6229	2060	15765	1083	4227	4421	3532	8587	25012	10485	437	0	0	9613	38869	0	1282	2006	10744	14123	13145	0	37163	30928	11062	3148	0	0	0	12210	62051	33957	9609	31574	11308	7652	0	1826	4819	1523	1359	0	4182	1615	0	3690	8725	32166	6295	10871	831	1350	38724	9910	8207	10808	10252	7598	0	3895	10208	40660	16061	0	9460	15798	27261	31586	32433	7136	6285	0	19772	5168	23909	0	0	47102	Phytochemical	0.6666667	0.9444444	0.055555556
8	C18 H17 O12 N1	440.08234	440.0831	-0.008406609	440.08234	0	1731	2687	2668	5350	1169	0	0	7536	1534	3309	1459	11215	1517	948	0	1387	6803	5821	1731	5886	3541	1974	0	0	0	0	0	0	858	0	0	970	1076	3988	0	1035	0	0	1361	3802	3224	0	0	0	0	5353	0	0	0	1238	3260	3429	0	7264	8254	3096	1009	0	1321	0	1810	24255	10245	2660	7738	3117	1551	0	0	0	0	0	0	0	0	0	0	1171	0	0	1388	0	0	5649	0	1845	2774	3026	2680	0	0	1690	6841	2666	0	1744	1802	6936	9938	8072	1781	916	0	0	0	6216	0	0	17292	Phytochemical	0.6666667	0.9444444	0.055555556
28	C18 H17 O12 N1	440.08234	440.08286	-0.13322382	440.0823	2671	4107	2730	3185	5930	5295	0	0	8475	3333	2868	1212	20251	2167	0	0	0	9381	9050	3386	6469	7174	2025	0	0	0	0	0	0	0	0	0	1450	0	6901	0	941	1528	0	2785	4258	0	0	0	0	3812	9509	0	0	0	3887	2831	3861	0	9908	5945	2028	0	0	1242	0	4165	12726	7558	2177	6151	3000	933	0	1093	4029	0	0	0	0	0	0	1235	3090	5437	1374	3755	0	0	9338	3758	1388	1802	1946	0	0	1380	0	7263	6448	0	3827	3508	3683	5748	7984	0	0	0	7981	975	5242	0	0	18391	Phytochemical	0.6666667	0.9444444	0.055555556
16	C18 H17 O12 N1	440.08234	440.08295	-0.01603624	440.08234	12425	12870	16067	14911	35648	20432	2260	3944	36616	4130	12574	11139	72463	13644	9931	4401	4525	44969	38562	9587	28300	38260	21253	4263	1529	0	7220	0	3314	2431	2213	3656	5053	3614	12469	2100	3974	4662	4573	9264	20136	16312	847	0	0	14068	39699	769	2726	2041	13079	13975	23192	0	41027	46328	12898	2407	4967	7383	0	16166	67270	42087	15157	37143	13921	4882	7703	1981	2987	3085	2011	0	6514	1478	0	6765	14015	45408	7344	15604	1431	3149	46285	14657	5936	13930	16428	0	0	6476	0	48703	25946	0	15151	15595	30931	37662	43442	9507	6018	4379	27348	0	37023	0	0	58940	Phytochemical	0.6666667	0.9444444	0.055555556
22	C22 H17 O9 N1	440.0976	440.09805	-0.1985412	440.09753	8048	12431	9582	5438	10468	4497	1075	0	10763	38541	16961	2741	9886	0	3742	0	3130	12238	9582	12944	22138	30649	2637	2428	2547	12598	2918	8964	0	0	0	0	2046	1671	33296	1114	2770	2187	3993	17934	22013	2676	0	0	0	18807	28026	0	2813	0	8495	5211	5665	325	9823	5915	4188	3945	0	4874	3004	13517	14890	10664	4406	8287	4461	3668	20353	23850	22043	1529	0	0	1846	0	317	0	6645	21825	3477	18543	2602	8481	5850	7065	10315	4894	2653	8501	2696	7450	7106	38104	45039	0	8327	9433	6112	9868	7381	3530	2461	3190	16496	3066	9094	0	4039	13894	Phytochemical	0.4090909	0.77272725	0.045454547
26	C22 H17 O9 N1	440.0976	440.09802	-0.24827622	440.0975	3981	3076	2639	2747	3304	0	0	0	3521	13435	4943	0	4117	0	0	0	0	0	6016	5531	6966	13553	0	0	0	0	0	2015	0	0	0	0	0	0	11586	0	0	0	0	8191	8534	0	0	0	0	8345	9510	0	0	0	3403	3131	2773	0	5154	0	0	0	0	0	0	4753	5619	6087	0	4811	0	0	5511	7266	11635	0	0	0	0	0	0	0	2484	8148	0	4498	0	3162	0	0	1673	0	2410	3496	1348	2433	0	17832	27698	0	2000	0	0	2042	0	0	0	0	5993	1862	0	0	0	7200	Phytochemical	0.4090909	0.77272725	0.045454547
20	C22 H17 O9 N1	440.0976	440.09808	-0.14982058	440.09753	7461	14469	11642	8745	10787	7283	1874	0	14608	43179	26817	1726	18728	7018	2428	4586	2000	16022	13685	24945	28252	43753	3240	3617	3538	23044	3027	15877	3739	0	0	1909	2942	1366	54867	1870	3760	3927	2208	30961	37850	7560	576	0	0	24347	40618	0	1766	1573	11468	11500	7740	0	15733	10947	5847	5879	1328	4892	5158	27010	26608	12270	6737	12477	6264	4153	23955	25782	48936	1559	0	0	1402	0	0	2094	11200	37718	6132	19847	4604	25266	17778	6376	9364	6988	5294	10589	5936	9085	6128	47503	46521	0	10488	9326	9000	13714	11080	5247	3165	5401	20203	3915	13210	0	5202	20411	Phytochemical	0.4090909	0.77272725	0.045454547
18	C22 H17 O9 N1	440.0976	440.09814	-0.06230609	440.0976	14592	15114	16185	13154	11074	4799	1825	1941	11631	54339	30781	1823	16046	7853	1611	3523	3527	16095	11004	29199	40726	40901	5544	4189	3478	30711	1482	19727	0	1318	2389	0	4857	0	64621	3869	3243	2699	3629	39691	45492	5270	447	0	0	25385	38673	331	0	0	16907	14733	8370	0	14240	16240	3246	3671	2289	5027	7520	16940	24303	12401	5282	14882	7724	5351	28378	37417	60524	2354	0	0	2131	0	0	1353	8536	41085	7632	19826	4430	22173	9729	8041	7772	6652	8026	9032	10256	15492	10231	56274	56538	0	11556	11056	10101	15927	13771	2625	1209	4863	14817	3607	11194	0	4538	16191	Phytochemical	0.4090909	0.77272725	0.045454547
24	C22 H17 O9 N1	440.0976	440.098	-0.10564866	440.09756	4658	3957	5356	3520	5426	2257	1539	0	5226	18728	8128	912	5861	2051	2076	1785	0	7988	5605	4204	8809	17305	0	0	0	8393	1200	4638	0	0	0	0	1526	0	18835	0	1597	1933	1579	8414	14072	0	0	0	0	12230	20643	0	1475	0	4038	4309	5449	0	7256	3941	2802	1309	0	2422	1523	8991	6284	6747	2051	5096	2481	1443	9870	6308	16411	0	0	0	1278	957	0	1349	3096	16366	4028	11733	2140	6082	7301	4116	3635	3411	2115	3483	2546	5329	1433	26775	32028	0	4654	3523	4214	4612	3964	0	0	1946	5858	1372	3323	0	2616	8417	Phytochemical	0.4090909	0.77272725	0.045454547
12	C22 H17 O9 N1	440.0976	440.09827	-0.08020995	440.09756	3442	2605	2132	0	5231	0	0	0	5639	18046	9935	0	2644	1996	875	0	0	3947	5479	10423	11306	8724	1569	0	0	11035	0	0	0	0	0	0	0	0	28551	0	0	1722	0	7000	9259	1328	0	0	0	5883	9769	0	0	0	2415	2121	1942	0	3309	4074	1418	1645	0	0	0	7236	7738	2219	2297	3923	2038	0	17331	20806	38596	0	0	0	0	0	0	0	3476	0	1638	4925	0	5455	2650	1503	1587	1517	1939	0	0	1847	1945	11492	10041	0	2956	0	3358	6544	4579	0	0	0	0	0	4249	0	0	7055	Phytochemical	0.4090909	0.77272725	0.045454547
14	C22 H17 O9 N1	440.0976	440.0982	-0.039045002	440.0976	5879	7294	5703	7887	7211	3246	0	1304	9927	30262	19570	1664	10376	2457	0	0	0	7177	6942	16826	23010	22046	1337	0	1300	24111	2225	9202	0	0	0	0	0	0	42087	0	0	1374	0	17635	21655	1469	0	0	0	9333	16868	0	0	0	5557	7578	4424	0	8212	8359	4035	3220	0	0	0	7817	12796	8193	4185	6354	3653	2431	22362	33957	46848	1212	0	0	0	1560	0	0	3482	0	3946	10389	0	8960	9096	0	4159	1730	2358	6048	0	4174	2117	23558	27048	0	2461	6908	9144	9873	7889	0	1063	1864	0	0	3761	0	1724	9584	Phytochemical	0.4090909	0.77272725	0.045454547
16	C22 H17 O9 N1	440.0976	440.09814	-0.0650971	440.09756	12672	11219	9935	12747	10470	5702	1919	1767	12472	49343	29933	1685	14592	4996	1486	4073	2783	9523	6508	16992	38996	32384	3625	3119	2849	30521	1121	12143	0	0	1212	0	3006	2179	70374	0	4432	1308	2869	30185	29600	3379	232	0	0	19657	29743	0	1997	1587	13368	7499	6238	0	11618	7771	5569	4237	1640	4241	0	17472	21625	9866	3563	14321	3481	0	36470	43343	64667	0	0	0	0	0	0	0	8060	29117	5363	16751	1980	18274	12607	6225	8767	4093	2865	0	5710	6294	0	36889	47398	0	10333	7298	9648	11941	8991	3156	2148	3121	9201	0	8314	0	3335	12136	Phytochemical	0.4090909	0.77272725	0.045454547
16	C18 H21 O8 N3 S1	440.1122	440.11218	-0.042620964	440.11218	228984	222956	227298	214740	241038	187440	92566	161508	306306	372088	220846	126501	523424	117602	173334	161916	138710	437954	386346	430476	488834	470686	215152	150612	98104	99082	79864	117332	134296	122686	134892	151892	182212	102738	486102	137368	198714	141092	115549	305820	314166	165428	9082	1796	1752	390072	583754	1992	134902	134826	242084	238934	202004	1700	395082	244378	140428	151870	186746	117128	147872	298810	438370	318952	118394	279406	188850	105424	246796	150418	203878	136618	131264	132964	117764	110716	1136	125180	167112	344842	124772	316514	105348	134866	313830	175452	145570	134546	152132	103356	111666	186830	223412	384024	442206	2478	236504	266904	218486	181814	226626	199436	106129	155504	389704	184064	253164	1848	92202	448428	Peptide	0.44444445	1.1666666	0.16666667
8	C19 H21 O11 N1	440.11874	440.1194	-0.10687952	440.11868	53157	56197	36359	47430	37030	25331	18280	35562	58664	79435	69600	34540	75536	14059	24671	40608	39028	54140	56199	80117	103409	82239	36691	39209	7727	12726	16931	23421	25136	28465	26238	30044	32251	27552	102504	27778	37223	27046	42601	64143	105234	29401	1000	0	0	57175	105948	0	32386	36093	48772	50713	32082	0	65842	47000	25187	27845	24505	42242	39552	48296	94086	63551	24325	54749	30107	48188	35920	21849	45090	29375	29574	23503	30627	28281	0	22689	32536	38405	27477	33406	16788	23611	57330	24802	24505	33877	36502	40152	12546	27914	47733	78401	82524	0	45801	54374	48305	50121	51158	39948	26551	38504	50430	31209	43505	0	16262	82711	Phytochemical	0.57894737	1.1052631	0.05263158
16	C19 H21 O11 N1	440.11874	440.1193	-0.090499334	440.11868	114492	111478	113649	107370	120519	93720	46283	80754	153153	186044	110423	62715	261712	58801	86667	80958	69355	218977	193173	215238	244417	235343	107576	75306	49052	49541	39932	58666	67148	61343	67446	75946	91106	51369	243051	68684	99357	69881	56550	152910	157083	82714	4541	898	876	195036	291877	996	67451	67413	121042	119467	101002	850	197541	122189	70214	74817	93373	58564	73936	149405	219185	159476	59197	139703	94425	52712	123398	75209	101939	67609	65632	66482	58882	55358	568	62590	83556	172421	62386	158257	52674	67433	156915	87726	71917	67273	76066	51678	55833	91584	111706	192012	221103	1239	118252	133452	109243	90907	113313	99718	52382	77752	194852	92032	126582	924	46101	224214	Phytochemical	0.57894737	1.1052631	0.05263158
26	C19 H21 O11 N1	440.11874	440.1192	-0.21723759	440.11865	3523	4490	6145	2693	5945	7564	0	0	7602	13146	3330	0	12517	3670	0	0	0	11189	5992	11487	20473	8179	0	0	0	0	0	0	0	0	0	0	1863	0	11724	0	2484	2680	2145	9582	6719	0	0	0	0	16075	27671	0	0	0	6426	4244	6230	0	10836	7794	0	1679	3439	3383	0	7550	11229	10819	2584	5709	2237	0	9751	10135	11918	2635	4519	0	0	0	0	0	3054	6599	0	8398	0	4233	12726	0	0	2588	2743	0	0	2219	0	7017	11188	0	4917	6568	4370	4388	4569	0	0	0	13861	2360	6464	0	0	15565	Phytochemical	0.57894737	1.1052631	0.05263158
12	C19 H21 O11 N1	440.11874	440.11935	-0.0614132	440.1187	121737	142743	139783	131776	114079	82499	72208	115833	157891	231931	189339	78983	193390	46929	90859	92540	114526	189835	200917	266631	345428	307264	123490	102151	40984	42512	59143	83807	79769	82491	88265	78431	127321	78048	354673	83802	104350	93867	93330	214108	313389	93644	3906	0	460	229701	388323	435	82650	100719	126146	132144	98311	269	212702	123558	72241	89926	140791	137404	87218	229137	269115	167204	60277	157677	93697	94110	155552	91937	145663	89858	79458	86201	83775	78942	0	83293	96463	215146	77254	169278	51194	79776	140394	76420	95129	71870	91853	104697	58415	109748	134094	268823	214496	509	128000	161988	130491	101697	107886	127569	81707	106145	296847	99107	116937	0	53067	234082	Phytochemical	0.57894737	1.1052631	0.05263158
10	C19 H21 O11 N1	440.11874	440.1194	-0.0864133	440.1187	102771	91286	91056	91338	78302	51315	38956	79287	100016	178153	128019	64109	144052	31050	55626	80867	78092	121539	119950	159969	220105	184054	73670	80415	21739	35775	39578	50060	54234	61704	61674	61371	85143	51561	230179	59129	84870	54293	79866	139674	203818	66623	1958	0	355	130814	239707	0	62937	63060	103207	97835	62158	367	141435	86254	46049	73402	67641	87367	87165	121610	167927	119439	47686	98890	66863	83910	100334	53832	96858	66827	63752	60325	59633	57868	0	50414	66202	100553	56975	90318	39689	48945	102229	53795	53643	63953	58420	73279	31602	60942	86132	153507	170681	0	91401	111508	88196	83777	79332	88802	56741	84715	181734	72706	86336	0	37671	152143	Phytochemical	0.57894737	1.1052631	0.05263158
24	C19 H21 O11 N1	440.11874	440.1192	-0.10629779	440.11868	7644	8537	7519	5617	6814	8358	0	3862	11210	15070	3504	3529	21058	2666	5043	4549	1876	17533	9925	15178	22790	14062	7477	2691	3067	4115	1365	2338	0	1327	2534	1946	2792	2305	9111	2411	5505	2483	3074	11620	11538	3453	0	0	0	24077	34328	0	0	3623	8958	7479	5593	0	16720	13021	5460	0	3195	2533	2714	12756	19256	8958	4303	9860	3241	0	9585	7243	13038	2966	1418	2960	0	1852	0	3511	4311	9055	5476	14621	1448	7005	14485	6090	2803	3234	4861	0	2343	4191	0	10964	17473	0	9347	8648	9070	8064	5907	1711	4088	4798	18334	2233	8604	0	0	16681	Phytochemical	0.57894737	1.1052631	0.05263158
28	C19 H21 O11 N1	440.11874	440.11917	-0.13198455	440.11868	8002	6435	6845	6954	8157	8149	1665	3951	7680	17162	6153	1682	15532	2109	3680	2991	2343	12191	7350	20235	22037	9690	4610	3841	0	3863	1148	2063	0	0	2254	1432	2919	1755	16613	2982	3032	2111	1360	8810	14896	0	0	0	0	17529	26633	0	2954	3224	7138	6257	6460	0	9063	6061	3731	2699	2820	1813	2121	9171	11085	7656	3102	7389	5099	1998	11653	12960	20521	2208	1306	0	3104	1462	0	3435	3494	7453	3587	13106	2604	4406	7938	4737	2825	3045	4274	1673	3241	2778	4826	7196	8470	0	7629	8638	7145	4244	6154	3338	1795	2423	16893	3428	5837	0	1292	14655	Phytochemical	0.57894737	1.1052631	0.05263158
10	C18 H21 O10 N3	440.12997	440.13058	-0.11039229	440.1299	15192	17548	13262	16628	9430	7792	8279	17509	13246	10404	7576	18057	23475	4317	17266	17453	21126	20968	17735	14111	14928	30505	19093	17741	6952	0	6632	0	12867	13719	15454	14573	22985	13101	15160	12731	21754	12184	19500	10951	20434	11848	0	0	0	15377	21546	0	17918	16132	17535	16991	10532	0	20615	10490	7972	17764	18662	17527	20195	17701	22914	17570	15582	15766	16495	24476	0	0	5205	13456	13763	10601	12245	12076	0	15020	14358	8424	10152	9472	6561	3766	10445	7948	15981	15813	13085	25128	7783	17684	32091	13119	6834	0	17138	15751	6207	9901	7745	21810	15437	14541	0	22547	8028	0	10903	25177	Peptide	0.5555556	1.1666666	0.16666667
12	C18 H21 O10 N3	440.12997	440.13058	-0.101459496	440.1299	9236	11451	7033	11986	5753	6922	7082	12158	10871	7813	4718	10367	11836	3274	12855	9279	15833	10174	12570	5676	10521	12790	15003	11527	5302	0	0	0	11547	8172	10828	11231	14712	6730	8780	9520	10189	11694	13839	7676	11809	11986	0	0	0	11305	16741	0	9863	11650	10098	12161	6971	0	17304	5373	5874	10344	9428	9049	0	10073	17249	10374	6666	8903	9164	12978	0	0	0	10274	7799	8551	8677	6979	0	10574	8007	0	8842	6096	3748	0	7239	6045	11308	7536	10899	18260	5392	14893	25587	7311	6318	0	9879	11219	0	7623	5497	11665	10000	10479	0	15670	7467	0	7415	14244	Peptide	0.5555556	1.1666666	0.16666667
8	C18 H21 O10 N3	440.12997	440.13065	-0.10663846	440.1299	20299	20356	15045	17528	11680	7723	8307	15923	15677	11850	11117	18020	22883	2792	13377	17331	20507	20420	24370	11880	20716	28475	17353	17863	6014	0	8813	5070	11782	13492	13963	18395	19648	13279	16520	11678	22259	13333	19978	15268	29209	14637	0	0	0	16570	27123	0	15981	16299	17622	21250	10699	0	23427	10358	10770	17581	12556	21707	13800	12734	33695	21192	12765	21355	13310	25477	0	2962	4837	14724	12042	10684	10166	12534	0	11504	14525	4981	12279	10203	6996	3808	15538	10321	15595	19148	16503	27674	0	16643	34100	17251	10095	0	18692	16529	10460	12192	16827	23900	11704	18755	16854	21552	10074	0	8454	28314	Peptide	0.5555556	1.1666666	0.16666667
26	C23 H21 O8 N1	440.134	440.13455	-0.22016132	440.1339	2604	0	3406	0	3202	0	0	0	0	9068	7713	0	0	0	0	0	0	0	4039	6287	7914	7815	0	0	0	5650	0	5605	0	0	0	0	1736	0	8358	0	1742	0	0	8687	12675	0	0	0	0	5889	9907	0	0	0	3793	2993	0	0	0	0	0	1889	0	0	0	6902	3006	2499	0	2162	0	0	14773	10966	22493	0	0	0	0	0	0	0	1974	7304	0	3252	0	4015	0	0	0	0	0	0	0	2682	0	11190	11490	0	2788	0	0	0	0	0	0	0	0	1894	0	0	0	3584	Phytochemical	0.3478261	0.9130435	0.04347826
20	C23 H21 O8 N1	440.134	440.1345	-0.12204423	440.13394	24616	21982	24865	20750	18173	14447	4502	4490	16429	90109	60681	4476	19132	13270	6298	8593	4163	18946	21572	52247	67371	52173	6864	10430	6017	74051	4123	52435	4382	3019	4425	4153	7427	5242	94784	3607	9877	5279	8548	55544	62360	8954	1003	0	0	43381	52181	0	6162	3981	26718	19459	9756	287	15507	15082	8236	9215	10428	10957	7011	39371	28924	15935	8192	19338	11462	8314	79916	91147	116376	3661	2841	1382	2815	3164	0	4737	9389	50331	12589	30615	7511	42707	17476	12028	16583	11461	9355	13716	23030	19132	20902	59357	59187	0	21120	23581	15254	15602	15559	8442	4040	13071	30182	7797	13952	0	5663	23537	Phytochemical	0.3478261	0.9130435	0.04347826
16	C23 H21 O8 N1	440.134	440.13452	-0.12946664	440.13394	20730	20352	20572	21443	11874	8038	5792	4055	17005	86819	56071	5169	12980	11692	3185	9147	6637	10365	20057	51930	69769	37478	7433	6651	5665	86346	2660	42518	3735	3217	5333	4178	8072	2633	105026	3762	10168	3585	5683	47492	58143	6312	521	0	0	29119	35784	0	5564	3128	25709	20672	12217	0	15210	10939	7776	8035	6888	7018	0	32829	22301	13323	6877	14358	11287	6629	82157	110112	128259	4170	1555	0	6339	4859	0	3959	13309	33753	8950	20733	4459	34200	18630	6706	11005	7300	7876	0	18205	13036	0	38268	57854	0	14842	15156	16612	12295	14304	6690	3378	7571	18674	0	11587	0	6724	20107	Phytochemical	0.3478261	0.9130435	0.04347826
18	C23 H21 O8 N1	440.134	440.13452	-0.12614319	440.13394	27190	26034	26138	21660	18609	11010	4068	5370	18383	100554	73828	4654	23338	13470	5409	9483	4771	14055	33103	54134	79190	43523	6725	12321	7167	90396	5834	59357	5215	2938	3960	5175	8287	0	96118	3032	10622	6462	7575	67890	62360	10658	565	0	0	34862	44594	0	7532	3756	24566	26275	12845	0	17831	10933	7295	9528	5957	8262	7545	44225	30345	22032	7038	22217	14644	9549	82829	113462	144882	6711	2808	3675	3756	5162	0	2103	17440	45759	10476	29713	6547	37413	21479	12223	14316	12490	9056	24145	26262	26653	18315	48060	73317	0	23228	24733	17483	14985	13557	11378	5217	11583	27356	8934	12377	0	9852	17868	Phytochemical	0.3478261	0.9130435	0.04347826
10	C23 H21 O8 N1	440.134	440.1346	-0.12724122	440.13394	6638	6855	5343	4746	5908	1797	992	1635	4167	28909	16285	1270	6271	2011	1435	3208	0	2530	3955	20733	26841	12101	1430	4886	1288	27948	0	12852	2313	0	0	0	3274	1201	26986	1808	2669	3417	1587	14219	21159	1945	0	0	0	10465	16966	0	1073	0	4984	6330	3805	0	4736	4013	2617	3506	0	0	0	8783	7256	4423	2199	6114	2314	1592	37681	45338	51594	0	984	1112	2235	1342	0	1474	4950	10579	2145	6959	1883	9497	3216	2543	4814	2901	2238	3536	2908	2609	3421	15357	18434	0	6465	4266	4674	6334	4299	1189	1513	0	0	1718	2676	0	1802	4576	Phytochemical	0.3478261	0.9130435	0.04347826
12	C23 H21 O8 N1	440.134	440.13458	-0.09428993	440.13394	8226	7607	5499	8704	6557	4803	0	3814	6741	37043	23606	1914	7208	6807	3407	1550	0	5737	8860	27796	38782	12588	4044	5635	1559	42879	0	18266	1697	0	1809	0	3197	1972	52667	0	2699	2460	2606	20746	28306	2321	0	0	0	16050	19592	0	3333	1954	6833	8490	5437	0	9056	6501	2884	3025	0	0	0	14416	6293	5548	1545	7413	3563	0	39270	56125	71958	1986	2229	1715	1943	1047	0	2699	4727	0	5212	9515	3385	14110	6953	2739	5270	2976	4443	5568	3765	3699	6998	22809	20489	0	7551	3867	6740	6959	6177	1859	1858	4308	0	2894	5444	0	2186	10477	Phytochemical	0.3478261	0.9130435	0.04347826
22	C23 H21 O8 N1	440.134	440.13443	-0.1634237	440.1339	14666	16919	12166	11939	12310	3436	1822	3963	11633	55688	42473	2538	9746	0	4589	4995	3573	13456	14037	27485	50446	35637	3414	7431	5096	41931	2546	33005	1657	1625	4021	0	4971	2043	56431	1368	6661	2812	4898	34654	44112	7758	0	0	0	30046	46490	0	2296	2129	12458	10794	10180	0	12695	11127	6897	3218	4751	6234	5792	29395	11807	8972	4813	6897	10503	3489	54281	67140	60846	2375	0	1190	1408	3359	0	2780	8045	30872	5718	22705	2844	27515	12904	8836	7957	7406	7588	8706	8358	12336	9340	36556	56844	0	18599	13112	8121	13508	9393	6426	1794	7225	23233	9017	11374	0	4495	15353	Phytochemical	0.3478261	0.9130435	0.04347826
24	C23 H21 O8 N1	440.134	440.1344	-0.18470095	440.1339	7184	7524	6147	6153	4360	2145	1329	1384	5678	27157	18967	1168	5774	3149	2002	1985	0	4602	7263	13808	17092	13909	3221	2832	1669	18863	1519	10755	0	2002	1668	1141	2251	0	28582	1197	1683	1459	1872	17054	22659	2167	0	0	0	14538	22144	0	0	0	8596	3293	3257	0	6868	3932	2850	2161	2373	1947	3531	11899	9255	3787	0	4850	3395	3246	20708	23388	39292	0	0	0	0	1342	0	2637	3996	15337	3176	12508	2497	13649	5800	0	3320	1978	5068	5945	4339	3795	3262	18866	23322	0	3390	5821	3738	3709	7142	2134	1421	2234	13153	2148	4109	0	2468	7585	Phytochemical	0.3478261	0.9130435	0.04347826
26	C20 H25 O10 N1	440.15512	440.15555	-0.2166325	440.15503	12271	8644	9220	10366	8279	10294	2198	5825	11374	26434	6070	6402	21146	3910	6775	7447	0	17667	10652	24381	28172	9409	15013	11310	0	14261	0	5117	7334	7566	7214	0	4594	5752	19896	5555	9669	5830	5850	13656	13858	0	0	0	0	17555	25704	0	7054	7859	8716	9606	6721	0	10282	9860	6756	7886	5279	5267	5487	13100	14317	10198	2676	11086	5787	4633	20008	25527	24567	10919	7898	0	7202	6630	0	5377	11351	0	7802	10999	2665	8455	9604	6924	8303	5321	5094	3417	4331	6833	9921	5538	11597	0	8353	11631	5856	46204	36182	0	3811	8681	11924	5084	6428	0	4169	22402	Phytochemical	0.5	1.25	0.05
22	C20 H25 O10 N1	440.15512	440.1556	-0.18539654	440.15503	49459	44189	44166	50100	40924	41117	14961	47840	54704	78460	32990	25461	64781	26268	37778	39396	23395	73720	53154	95132	100202	44899	41032	50382	26665	66965	17131	22621	36469	29672	31143	42561	29089	40610	66237	38739	0	33459	29304	63104	54740	20731	2470	0	1029	82254	114863	0	40342	42247	37901	43005	37087	1260	53088	45169	28537	34648	35448	20326	38259	48778	58193	40980	22280	54401	27096	21314	85622	98950	87870	44215	0	40274	29035	30279	1321	33292	38838	28172	37112	59411	20284	35486	63428	40188	30621	30219	29992	19985	23664	36374	50334	35616	58625	0	41451	51665	46058	42030	41371	37972	29151	38070	67432	33897	42608	0	27340	70349	Phytochemical	0.5	1.25	0.05
12	C20 H25 O10 N1	440.15512	440.15573	-0.08988433	440.1551	269889	284786	304160	292900	177694	161893	223992	402834	231469	628186	321372	197258	265625	96139	518402	271538	242695	316817	342807	702621	719784	515227	310745	353952	188113	339255	153789	277409	345245	293554	291992	280339	343450	265289	895438	291015	303315	229394	245691	530467	440318	170874	7822	876	723	492037	491130	557	277425	335668	287532	279835	175772	1010	348461	173385	124869	283377	375316	304556	387964	419632	294248	234110	100604	232607	179312	226956	545282	458514	440895	307158	279009	337623	202369	256789	343	243669	198181	286195	212507	306305	227047	286894	213071	158762	188489	131839	182693	262968	208948	315362	366099	310463	342783	1962	305368	385814	205366	136491	159929	322858	193410	392766	422961	252174	203411	640	0	308618	Phytochemical	0.5	1.25	0.05
10	C20 H25 O10 N1	440.15512	440.15573	-0.096875794	440.1551	381202	350926	338730	304874	95881	80436	109164	426378	119987	716372	178076	234098	158105	52148	262538	359870	279728	160644	355930	361359	372104	531372	301148	422620	84128	164120	102920	117854	336110	334934	331640	353802	363938	290538	859548	353144	355248	228806	277784	283079	487166	96115	4223	466	497	235900	266027	0	330418	356758	354920	328694	81406	1096	181463	100823	64975	335576	181774	152990	207998	359920	143475	131121	69067	117817	91012	296490	237277	206411	217354	174716	325406	344232	124375	302278	0	223312	128612	131204	122692	306914	236432	128250	118767	76672	213818	87204	188326	250540	103956	147761	430640	161652	233151	1646	326032	396270	93128	81499	90837	386418	223722	230616	237991	283116	101193	0	196228	164704	Phytochemical	0.5	1.25	0.05
4	C20 H25 O10 N1	440.15512	440.15588	-0.16364542	440.15506	6955	6372	8098	4752	5041	9909	2408	6615	6518	8725	8321	4583	10203	3138	4529	6345	7287	8133	9526	9079	11706	10962	6039	7246	2396	2387	2182	0	4997	4566	5396	5044	6449	3876	14007	4925	7050	3692	10358	8016	12325	6354	0	0	0	6210	11854	0	5541	6014	6017	7235	4778	201	18994	8336	2886	4950	4947	6646	6841	6695	11737	7638	3797	8788	3828	8259	6139	3297	4631	4672	5654	5988	2950	5152	0	2874	4902	4769	5002	4235	3869	2609	8860	3942	3815	3885	4477	14192	5006	4895	22692	7412	8103	0	6287	7886	4402	10742	8084	6310	4569	7541	6382	5249	6771	0	2501	20994	Phytochemical	0.5	1.25	0.05
28	C20 H25 O10 N1	440.15512	440.15558	-0.1947541	440.15503	9677	8709	10243	8786	8917	7640	2562	6346	6295	22897	8231	4651	13483	3251	6755	8627	5208	10151	11464	28178	27151	6324	7317	9439	4406	17694	4931	6431	7004	5690	6230	6458	6966	8685	19824	7309	7660	7432	4920	14958	12111	3561	0	0	0	14323	17551	0	8270	7152	8406	8072	7546	0	7958	7646	3054	7331	5194	4769	5790	9592	10064	6202	3092	6535	5177	4462	19434	29036	27776	8521	5417	8488	6625	4270	0	6345	6435	4446	4384	10059	3649	9770	7044	4119	6069	3842	4309	2929	5510	9240	7380	3907	7758	0	7815	10908	6070	6336	6249	4913	5165	9102	9515	4689	4010	0	3169	11178	Phytochemical	0.5	1.25	0.05
6	C20 H25 O10 N1	440.15512	440.1558	-0.14523381	440.15506	32677	31855	29739	34058	17159	16225	14675	34754	29410	54960	34525	41728	86710	10389	40374	68268	60172	30724	35908	46969	137934	102338	49948	38361	11057	15436	31936	14321	24065	27620	52332	56040	64916	42916	131168	27999	66850	40450	34215	36065	103664	33400	0	0	0	36540	51719	0	63118	29614	32287	31600	36020	231	65400	25953	26016	60548	40948	58232	68018	24412	82734	28026	20936	30528	23786	33839	28145	25093	30779	56976	53740	55240	13910	46236	0	30268	22957	19846	33098	20654	15348	17474	27098	17458	36664	43018	35876	65580	14697	53556	76452	47014	48164	0	63122	32989	15797	24302	26893	31885	40000	36949	27172	53572	24383	0	27606	81266	Phytochemical	0.5	1.25	0.05
26	C26 H26 O2 N1 S1 Na1	440.16547	440.1659	0.30070993	440.1656	0	0	0	0	2502	0	0	0	0	0	0	0	5211	2420	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8800	0	0	0	2020	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5697	0	0	4602	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23352	Organosulfur	0.07692308	1.0	0.038461536
12	C19 H25 O9 N3	440.16635	440.1669	-0.22217725	440.16626	28763	27699	29265	35226	11497	12864	38000	55107	16595	20171	17231	27615	16348	7010	39413	34072	39665	26575	36197	31573	25400	56332	39971	49605	35327	0	18691	27213	41348	33719	46032	34929	57724	42001	34986	46073	41916	33459	35741	35106	23333	18230	0	0	0	40705	25776	0	39360	44084	26869	29134	22632	0	27294	7948	15975	45752	55784	27757	31173	26464	15956	15471	13250	17890	16940	32414	0	9574	7597	47461	37913	40362	21864	32878	0	38586	33890	21370	22805	24496	27609	14132	9025	11944	38172	16052	25828	55540	35749	55204	87255	21839	18292	0	33019	34833	8926	9369	7226	42843	26049	39231	0	51480	10980	0	33287	24806	Peptide	0.47368422	1.3157895	0.15789473
14	C19 H25 O9 N3	440.16635	440.1669	-0.16878569	440.1663	12474	17357	18084	12037	6643	11813	12000	23231	9434	7918	7452	10215	9387	3654	21856	22989	13967	16732	16036	13223	12521	24481	21320	27782	19994	0	11598	12019	20785	20518	18319	19416	24250	19885	13630	22614	23096	20631	13338	16516	8352	10927	0	0	0	16706	12193	0	20771	18947	11190	13075	7215	0	17498	4669	7590	17106	33410	14965	0	12601	9969	9516	7128	11726	12431	12891	0	7704	3003	18605	15242	18659	11746	19401	0	15231	12540	0	11767	9088	10660	5425	5527	7602	17473	12492	11932	22717	29393	28792	42546	0	5370	0	17311	19427	0	3703	2583	26593	13042	23883	0	20918	4588	0	15999	13681	Peptide	0.47368422	1.3157895	0.15789473
4	C19 H25 O9 N3	440.16635	440.1671	-0.15967828	440.1663	13011	13647	10830	11295	6564	7047	5149	13580	10093	10414	8364	8971	12099	2408	9752	13218	17733	10959	12171	6920	10430	22464	11142	14330	5234	803	7957	6258	8893	8659	9480	11214	14793	7860	16429	9637	11920	7645	23839	9290	13147	7345	0	0	0	10882	15092	0	10941	11028	12383	10010	6996	0	13939	6614	5885	13673	9989	11558	12400	8172	11940	10693	6599	9368	7719	18141	2945	2939	3538	9486	7254	8967	5107	8153	0	7058	8732	9217	8328	6147	6417	3770	8780	7106	9234	7955	8186	23563	57186	37447	22586	10442	10158	0	12621	11436	5817	8468	7522	15721	8092	16630	6904	13249	6757	0	6174	16824	Peptide	0.47368422	1.3157895	0.15789473
8	C24 H25 O7 N1	440.17038	440.17105	-0.17353003	440.1703	3872	3110	2962	3324	1055	1876	0	0	2684	14770	9125	0	2458	1319	1265	1992	1644	2190	2754	14714	16376	4826	1083	1464	1270	17022	814	9893	1298	1752	1294	1767	1906	1753	13746	0	2201	0	0	7738	6967	850	0	0	0	6721	7407	0	1857	1650	2481	2977	1216	0	1315	983	560	2042	0	1754	0	3441	2613	1461	0	1968	1955	1570	14936	22576	28762	0	1402	1656	1095	1217	0	0	2655	5007	1458	1612	0	7893	1127	0	2225	973	2202	2322	0	0	3967	5463	7252	0	3298	3810	1256	1476	0	2179	0	0	0	0	0	0	1357	895	Phytochemical	0.29166666	1.0416666	0.041666668
26	C24 H25 O7 N1	440.17038	440.1707	-0.211177	440.1703	3111	4507	4485	4356	4163	3309	0	0	2667	9645	11156	0	0	2390	0	0	0	0	0	6377	9789	5390	0	6249	0	12139	0	6132	0	0	2862	0	2190	3604	8410	0	3136	0	2678	10854	13035	0	0	0	0	7431	10849	0	3108	0	3766	4527	5064	0	0	0	0	0	0	0	0	6665	3301	2520	0	3583	0	1971	15702	11490	23117	3173	0	0	0	0	0	2741	4880	6542	2970	4363	0	5436	6334	0	2453	3473	3605	4444	3934	2907	5379	7284	7424	0	4488	7577	2696	3242	0	0	0	0	0	2765	4321	0	0	3028	Phytochemical	0.29166666	1.0416666	0.041666668
16	C24 H25 O7 N1	440.17038	440.17087	-0.22606555	440.1703	13716	18984	16785	16600	11305	6126	5006	9402	9997	52211	44154	4137	9080	12255	8013	14690	12835	9360	14859	61912	56492	25499	6377	9131	8443	85584	5966	38431	7200	4013	9260	5534	10916	6107	52647	6110	9640	5436	10647	37875	45533	7769	372	0	0	20296	24933	0	11627	6943	18930	18530	7681	0	8464	5953	5726	13383	6573	10297	11594	23056	17957	7444	4095	10210	9754	11889	72767	102539	120881	9568	4408	4035	7162	6189	0	3389	10267	21158	9031	16525	8737	28226	10550	6200	16393	8020	8046	0	14141	10310	0	32331	35828	0	24003	21935	8687	8196	8552	17116	5512	12740	9221	0	8456	0	8423	11193	Phytochemical	0.29166666	1.0416666	0.041666668
24	C24 H25 O7 N1	440.17038	440.1708	-0.18231186	440.1703	11127	8165	9671	10205	7868	5752	1487	3892	5918	29431	29966	1564	6833	6741	3426	5417	4039	5729	12429	24802	29292	12720	5011	5230	2044	47074	1686	28133	3086	0	2539	3389	3459	3011	26571	1821	4523	3229	3706	25875	30571	5242	0	0	0	22970	25509	0	3195	3656	8709	9646	4751	0	4816	4889	1517	5557	5120	5565	4301	18015	4863	3544	3349	6472	7517	3074	49241	42970	51442	2917	4301	1626	2943	3533	0	2838	6342	18201	4145	13743	2802	16406	9264	0	4089	4231	5244	7471	7625	6908	11630	21685	20293	0	8403	9207	6375	3895	4812	5268	2685	5288	13282	4692	4234	0	3998	6408	Phytochemical	0.29166666	1.0416666	0.041666668
14	C24 H25 O7 N1	440.17038	440.17087	-0.22864957	440.1703	11814	11109	16348	7839	8006	7073	4420	4134	6847	29625	32744	3514	4829	7614	1514	9474	5752	7689	7864	36324	43803	17569	5993	5278	8566	58918	5117	27308	5700	4151	4139	7824	6045	4624	37939	4461	7208	3967	7052	26710	33591	5231	0	0	0	13371	12290	0	4228	3410	12055	11897	3974	0	3237	5766	3739	6809	0	8370	0	21670	5781	5627	4229	6577	9358	8085	53518	78369	83727	3679	3266	3159	4275	4431	0	3530	7838	0	7082	7537	3894	21403	7094	0	7440	5533	5579	24087	10251	10039	16513	15081	24621	0	10054	13382	5559	3550	5741	6043	3166	4770	0	3151	6221	0	5718	2942	Phytochemical	0.29166666	1.0416666	0.041666668
12	C24 H25 O7 N1	440.17038	440.17096	-0.1572445	440.17032	8317	3694	6437	4566	3619	3284	0	5014	3766	21688	24649	3576	3111	3730	3379	2826	0	3765	6709	34138	40601	13483	4070	3496	3792	47054	2242	17005	2633	3136	2408	1856	4947	2765	42543	4454	2887	1862	3086	20103	21680	2092	0	0	0	13458	13971	0	3831	3242	5961	7372	4088	0	6122	3214	3303	4946	0	0	0	8090	4441	3374	2816	4551	3120	0	31828	71756	69010	4041	1937	3190	0	3672	0	2340	3716	0	3688	4852	2960	14019	4684	2574	8305	2444	2728	7113	0	7627	5985	14802	14152	0	6838	7433	2840	2758	4448	3938	1412	5562	0	3489	3951	0	5721	5745	Phytochemical	0.29166666	1.0416666	0.041666668
6	C17 H29 O12 N1	440.17624	440.17725	0.3568562	440.17642	10936	10396	9222	11067	5690	3552	6595	10446	3123	9763	6222	4052	8079	1127	9998	12164	4991	4117	8605	8964	10118	19218	7884	17296	4782	954	6209	0	11133	10581	7620	9765	19648	15584	12262	10626	15899	8411	14414	6736	10222	3337	0	0	0	8322	7318	0	8077	5914	12288	7103	5611	0	9131	3369	3971	18673	4401	6175	12602	5837	6765	7858	4303	8518	4427	14660	2279	3488	0	17035	9029	8745	5496	5172	0	7288	7985	0	4298	5051	6901	2850	3447	4592	8345	7676	6942	25545	0	18075	44415	6655	10562	0	11545	6528	2030	5573	4502	12525	7055	8396	0	11612	4700	0	7309	12080	Unclassified	0.7058824	1.7058823	0.05882353
4	C21 H29 O9 N1	440.1915	440.19223	-0.18315051	440.19144	12229	10897	10133	11419	5026	10220	5016	13386	6635	12695	6459	6589	11217	4017	15532	12362	8636	9055	10927	13406	14833	16330	8598	12181	6116	5263	6733	4385	9640	6408	10225	10358	11760	8697	20681	12170	10988	6939	11411	12011	11784	5894	0	0	0	10919	13743	0	11402	11839	9258	8264	4986	0	10129	6585	3811	10665	8800	7772	9364	9015	10945	7791	3009	7505	4802	9335	6772	7116	9961	10163	8014	12040	5011	8980	0	15144	6727	4367	7481	5962	7002	6388	7122	5175	7744	4357	7106	9393	9842	22198	27338	7383	10941	0	9921	11344	5935	8967	9057	11875	6888	15211	6176	21270	5359	0	5388	9507	Lipid	0.42857143	1.3809524	0.04761905
20	C21 H29 O9 N1	440.1915	440.192	-0.13328663	440.19144	555364	586972	576450	495895	439356	445082	282823	724643	522537	1183538	422703	329953	767977	285844	535026	517681	275893	744150	752519	1308412	1150278	607416	538119	723748	503248	810959	263434	388705	670515	570026	523355	557546	603025	524580	1252208	559804	659282	393543	261217	732627	392991	362807	9029	3168	1048	700234	468065	2241	578157	542926	567450	575939	401971	2949	732015	405340	261810	517760	548823	218135	595871	496212	628540	527511	217199	468684	378001	248704	656009	1235006	784707	604817	236841	651064	350501	517865	1189	451724	406396	245268	368911	349843	389409	457059	444715	320034	363971	305764	370618	265139	549852	630456	758683	303720	491947	5173	594818	646157	362243	298202	337471	603036	368134	665523	400536	502456	368738	2775	340990	771605	Lipid	0.42857143	1.3809524	0.04761905
12	C21 H29 O9 N1	440.1915	440.19208	-0.16791216	440.19144	164436	165904	169580	155019	105299	95756	169051	645666	119124	237475	139129	147027	145614	68388	190644	205388	209832	171621	191670	399070	378950	239331	228796	262368	170971	289348	105476	180193	253564	197126	206766	179835	241094	180603	332061	229385	162824	164399	195510	250300	228591	115764	4716	776	668	276570	245652	695	0	243164	174818	174517	109445	974	181166	111608	82634	193794	238291	207494	229131	183558	149677	135290	70031	130125	107438	192638	291260	310057	289922	199583	203570	236133	150416	177681	339	171258	160037	129881	152745	163866	170528	155682	141202	96192	152442	80794	111579	217011	303912	395682	259057	146684	151976	2138	168346	235705	108971	84422	109196	201576	143067	258634	197149	172339	112043	496	144807	146699	Lipid	0.42857143	1.3809524	0.04761905
4	C20 H29 O8 N3	440.20273	440.2035	-0.1592691	440.20267	17760	20476	21416	19186	8972	13560	13182	28202	12098	14904	9964	11928	17440	4664	23410	19244	19220	15650	20468	17146	14190	33040	21184	25296	22182	3970	11438	8592	25048	21028	20972	18768	28554	15728	17672	21114	23456	18064	23980	14720	9780	10006	0	0	0	16118	17400	0	20572	19770	18632	16136	11086	0	19376	7904	7226	25040	19130	8432	24614	11042	14200	13552	5646	13576	12090	23500	2044	5654	4672	18106	15764	22558	10338	12038	0	14690	16106	11722	14750	7130	12838	6814	10810	10598	19310	11600	12326	29632	51046	50332	51700	12488	11234	0	16672	21480	6330	9380	7736	22816	11884	25658	10530	21154	8288	0	15410	18562	Peptide	0.4	1.45	0.15
16	C20 H29 O8 N3	440.20273	440.20346	-0.03775202	440.20273	178027	170076	162094	182674	89648	89209	120923	186366	113239	231464	124584	117836	132182	60878	155111	177455	115524	142968	161462	255178	228824	164901	156696	200620	154208	127568	111182	134481	181041	158449	170667	176180	196126	142175	253483	187799	192013	142290	146509	148205	130000	90546	2328	0	0	140992	103398	0	191708	174917	169209	164969	99894	0	168166	96272	76434	194070	164915	112786	183486	89204	139014	123690	62676	109941	97716	116134	109586	188366	156247	163788	167624	191646	147106	158804	0	139073	169757	81498	136850	98182	141085	107628	107366	84860	147598	88832	109675	164680	173461	181813	200932	94492	130055	1204	160884	162228	83690	87330	94478	165194	106642	185336	71908	156006	95650	0	125748	149106	Peptide	0.4	1.45	0.15
14	C20 H29 O8 N3	440.20273	440.2033	-0.15162702	440.20267	8089	11672	6478	8622	3433	5270	9923	15205	6395	5950	3582	0	0	2926	12199	14559	0	7220	5050	7824	4321	12785	10535	14212	12920	0	8797	0	15903	0	12668	0	18156	14207	8158	0	14326	9916	9654	7212	7185	6595	0	0	0	10621	0	0	12708	13204	11029	11123	5159	0	4271	2364	3736	16026	13190	0	0	4065	6192	3280	0	4890	8032	7305	0	3427	0	12230	0	29624	10152	0	0	10690	8631	0	6287	4319	9751	2989	2405	0	8666	3145	5109	8423	22701	19030	29725	0	3838	0	7657	8027	0	0	0	17425	7923	10611	0	13453	2929	0	8878	6023	Peptide	0.4	1.45	0.15
12	C20 H29 O8 N3	440.20273	440.20328	-0.20733175	440.20264	12023	14121	11394	15520	4598	6848	15654	21791	6628	13133	6634	7047	3850	1402	15391	13782	9657	6843	12528	13147	9927	24009	14005	26268	19275	0	9072	0	24421	15741	20294	20069	26360	16251	17679	17398	19351	16984	13020	17801	5794	8209	0	0	0	15535	8533	0	13174	16731	14117	13814	9104	0	9037	2439	4338	20802	21906	0	0	7939	4697	7246	3452	6981	8362	15598	0	3607	0	20295	18584	17614	9170	16766	0	13563	12973	0	9633	7134	14381	4925	3254	6372	14943	6426	11103	22551	31405	37143	41351	8070	8058	0	17863	11987	3568	2709	0	17401	11837	17649	0	19112	5225	0	15225	9512	Peptide	0.4	1.45	0.15
16	C25 H29 O6 N1	440.20676	440.20724	-0.27871537	440.20663	6783	10524	7784	11109	5478	3260	5914	5340	2139	20833	22348	4576	3078	4801	5253	11545	10629	5507	5857	28079	30065	7468	6310	7676	6621	40560	6254	18286	7562	5461	3537	6646	9471	3579	22020	5923	6292	6145	10879	18103	19791	3846	0	0	0	10243	10457	0	7982	5349	13541	9515	4485	0	2783	4194	4213	9427	1928	5792	10289	7285	4899	4296	4104	2964	4999	14072	40869	52767	53037	5763	4584	4841	5647	6489	0	4728	9611	10776	7516	5195	5009	12664	2413	2964	10005	6249	3838	0	9984	9722	0	9603	19348	0	9990	6981	2919	4343	2330	9654	3746	4134	0	0	2772	0	8601	2626	Phytochemical	0.24	1.16	0.04
24	C25 H29 O6 N1	440.20676	440.20718	-0.20418034	440.20667	20607	22294	16445	16616	17806	9404	3639	13205	9649	25840	39865	6407	9789	7677	8370	17104	9548	12007	20665	37096	39324	16183	8345	18730	11201	81852	6346	46097	8643	11906	11320	7933	16336	13148	32292	12893	14667	7409	9205	35676	40155	9659	0	0	0	18934	26771	0	12043	13837	17134	16307	13130	0	7752	8546	8010	17665	10910	9638	16373	22278	12809	7826	5463	14473	17359	12762	74734	60122	75804	15012	10082	9398	6985	11559	0	9100	11165	22238	11684	12324	5644	29068	15416	6927	17400	12634	10970	17349	18121	19615	30535	18068	18609	0	16264	17849	9148	8895	10356	17235	7145	15837	14013	16667	12817	0	11704	8509	Phytochemical	0.24	1.16	0.04
26	C25 H29 O6 N1	440.20676	440.20718	-0.16861497	440.2067	6859	4691	3334	6942	3545	8841	0	8273	2960	6949	14605	0	0	1989	0	0	5689	6962	6874	8947	10722	8887	7834	9041	9653	25643	0	12827	0	0	5986	4621	8901	3502	8927	5498	12981	3483	4420	8549	15351	0	0	0	0	10059	7956	0	4169	0	5912	5475	3834	0	0	0	0	10222	0	0	5861	7242	3154	7181	0	6421	5948	2289	31919	16001	28781	6789	4229	6762	0	0	0	0	3458	5684	3211	3766	2686	9811	0	0	7536	5180	6086	8099	4654	6727	23185	5975	6252	0	7643	6589	3494	3813	0	8587	0	6125	0	11018	4367	0	4013	4339	Phytochemical	0.24	1.16	0.04
24	C22 H33 O6 N1 S1	440.21014	440.2106	-0.13817757	440.21008	3499	4918	6463	5243	3122	4274	0	3616	2020	7393	4581	0	3204	2644	3883	3582	4262	2560	4748	7387	8618	7611	3028	1952	3594	8951	0	7094	2039	4490	3676	7363	5953	6036	7986	5183	3526	4057	3931	8022	6364	4073	0	0	0	6038	3898	0	3699	3051	5023	4211	2817	0	1894	2090	2843	7257	5175	3522	5734	6213	0	1092	0	4889	3912	5484	6906	6012	8657	4680	5754	3308	4667	3421	0	1696	3343	5122	2140	4582	4103	5417	2206	3640	3066	3757	3453	9378	13693	21844	5520	6485	9241	0	4761	4526	0	3518	4163	4933	1676	5677	5347	2597	4071	0	4449	2650	Organosulfur	0.27272728	1.5	0.045454547
10	C27 H30 O3 N1 Na1	440.2196	440.22037	0.2945495	440.21976	14640	9696	13544	12450	0	0	15978	61216	0	4256	4468	24846	0	0	11216	15720	28002	0	0	0	7976	0	3604	7602	0	0	48852	0	73628	53784	57052	52502	25300	41784	0	65968	25268	23304	42564	0	0	0	0	0	0	0	0	0	27242	32194	18320	11704	0	0	0	0	0	10242	0	0	0	0	0	0	0	0	0	42896	0	0	0	37402	79664	132288	50020	47458	0	66816	0	0	4874	0	1556	0	0	0	5526	2696	3202	9070	14608	4856	0	4110	0	0	20756	29848	0	0	0	69768	41820	0	0	26882	0	0	5220	0	Phytochemical	0.11111111	1.1111112	0.037037037
20	C26 H33 O5 N1	440.24316	440.24356	-0.2460261	440.24304	6572	7618	4974	5772	3627	3139	4732	4695	3122	9242	15359	5038	0	2171	4803	14075	11717	1561	2597	9157	16873	11113	4586	5233	5794	30629	6730	14442	8572	7848	4365	5194	6935	4764	4997	7759	7498	3689	10855	6527	15051	5391	0	0	0	2131	4538	0	6337	5443	6985	8647	3423	0	2279	1283	2236	8549	3577	7893	9875	3679	0	0	3520	1668	4611	14919	21313	14794	22676	3899	5039	4948	11453	6845	0	4826	7643	7521	7216	2478	4224	7254	0	1267	7779	2917	5024	29879	10100	5700	17644	4024	8420	0	6877	5527	2447	1977	4103	10206	2151	7117	3548	9927	0	0	6750	1328	Phytochemical	0.1923077	1.2692307	0.038461536
12	C26 H33 O5 N1	440.24316	440.24374	-0.21293014	440.24304	26355	19324	19632	0	0	0	0	4184	0	0	6501	3378	0	0	2895	6138	2538	0	1453	14540	7634	0	3593	6336	1799	11120	3150	8785	6389	5506	5881	6915	14306	3966	5427	4326	244659	5033	1522	0	0	2511	0	0	0	2094	0	0	8135	5065	26169	19779	1187	0	0	0	728	3528	0	0	0	0	0	0	0	0	2492	6866	16320	15103	8968	4103	4889	2728	4813	6055	0	4556	1407	0	1294	0	0	2942	0	0	0	1912	1275	7632	0	0	4143	3931	4549	0	0	21057	0	0	0	339419	3498	2279	0	4449	0	0	1850	0	Phytochemical	0.1923077	1.2692307	0.038461536
26	C26 H33 O5 N1	440.24316	440.24356	-0.20789923	440.24307	10481	10984	8441	7272	5437	2971	2693	6301	3066	5914	14824	3718	0	3606	7089	8728	0	0	7705	12300	9769	6948	7095	12869	12345	32789	2553	21756	12075	12077	8702	9331	11112	8740	6140	9723	10765	4380	7401	9833	13598	9234	0	0	0	9288	8623	0	12612	11254	8469	8709	7064	0	0	0	0	16180	4107	6036	14849	7162	0	0	0	6168	5905	5340	41123	15896	25149	8751	8162	8421	0	11691	0	4550	11603	10976	3922	9242	6452	10382	6475	0	23189	7185	5823	28021	10850	10344	22796	7875	0	0	10025	8352	4151	6501	6126	10815	4138	10630	6702	13560	0	0	9343	3780	Phytochemical	0.1923077	1.2692307	0.038461536
24	C23 H37 O5 N1 S1	440.24652	440.24698	0.18931168	440.2466	0	1272	0	0	3239	1091	0	0	0	0	0	0	0	0	0	0	0	0	2642	1571	0	0	0	0	0	0	0	0	1734	1505	0	1266	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1223	0	1158	1129	0	0	0	0	1418	1828	1285	0	1848	0	0	0	0	0	2671	0	1410	0	0	1490	2731	0	0	0	0	0	0	2795	0	0	0	0	0	0	0	0	1288	2347	5003	3891	0	1464	1428	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21614	Organosulfur	0.2173913	1.6086956	0.04347826
4	C19 H37 O10 N1	440.24902	440.25018	0.24178605	440.2491	1654	1379	0	1170	62355	1759	0	0	1670	0	0	0	9739	54094	0	525	0	395	730	0	0	731	0	557	588	0	0	3235	0	0	0	0	486	0	0	0	0	0	0	0	0	4749	0	0	0	0	0	0	0	0	1624	0	21522	0	915	2519	14681	592	0	0	0	0	0	1770	2201	7653	10328	0	0	0	0	337	0	0	0	0	0	0	424	35110	0	0	0	0	1589	708	0	0	0	1315	45347	9350	1845	2478	0	0	1688	1897	1175	1757	2713	0	0	0	0	733	18204	0	0	1113	Lipid	0.5263158	1.9473684	0.05263158
6	C19 H37 O10 N1	440.24902	440.24997	0.33148876	440.24918	1498	1086	855	0	1902	1471	0	822	0	0	0	0	1293	0	0	0	0	609	852	0	0	0	0	0	609	0	508	4203	0	0	0	0	1183	0	0	0	769	711	0	0	0	0	0	0	0	0	0	0	0	0	1014	1257	1431	0	1178	0	825	0	0	0	0	0	1777	0	630	1433	677	0	0	0	0	0	0	0	0	0	0	0	0	22822	445	0	0	0	2522	0	760	0	786	0	42417	8412	2002	3745	0	0	0	823	0	648	1017	0	0	0	0	702	1487	0	0	2050	Lipid	0.5263158	1.9473684	0.05263158
2	C20 H33 O6 N5	440.25037	440.2511	-0.001883621	440.25037	787	0	0	721	409	0	0	0	0	0	0	0	678	336	435	0	428	0	0	0	0	2516	432	0	690	0	0	4384	624	0	451	0	0	666	0	0	912	290	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	313	0	0	0	0	0	582	0	0	0	0	0	0	718	0	0	0	0	0	0	0	0	0	459	634	41449	390	0	0	0	0	0	780	0	0	2753	14151	4420	2635	2699	5917	0	0	0	0	0	0	0	0	372	0	0	0	0	632	484	Peptide	0.3	1.65	0.25
16	C25 H33 O4 N3	440.2544	440.2547	0.003613696	440.2544	0	0	0	0	0	2284	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1264	7706	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6599	0	0	0	0	0	0	0	0	0	0	135913	9279	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.16	1.32	0.12
16	C23 H37 O7 N1	440.26428	440.26477	-0.25454497	440.26416	11686	13126	9588	8335	6616	5798	9489	17344	3865	4285	6212	12263	5400	3423	15295	30276	20010	4649	11780	8523	8963	6492	11560	18623	16842	10352	10871	5005	16795	21368	21518	21755	18155	12286	7475	18281	14280	10595	15915	7020	5313	7993	400	0	0	4987	10774	0	23385	21971	9042	9516	9112	0	7984	10828	5282	19231	3610	8746	15863	3734	4411	3808	4866	2717	7591	16105	6078	8403	6454	13387	15860	20895	20706	20616	0	11444	12556	8040	8516	4209	5977	4391	9237	5535	18227	7319	7039	0	12817	11676	0	4302	11649	0	12848	12335	6458	8330	8812	19859	10535	16720	4291	20488	8351	0	13459	3845	Lipid	0.3043478	1.6086956	0.04347826
12	C23 H37 O7 N1	440.26428	440.26486	-0.10539068	440.26422	5268	3797	8741	5234	1315	2191	5146	11408	1704	3842	2947	3854	1187	2020	7718	6077	4871	2934	4395	4497	1850	0	5837	3628	12267	1878	4212	0	10662	9383	9421	10320	9725	7820	6476	10555	9062	4220	4506	2415	0	2161	0	0	0	4907	0	0	10308	7943	4658	5895	2419	0	2142	1049	1648	8820	0	0	0	0	2337	0	1558	2569	2094	7590	0	4098	2400	9361	8526	9016	3751	8112	0	5710	5939	0	2646	0	926	4177	1698	1065	59497	2489	6477	28974	17692	6096	12100	0	3800	0	4863	7450	0	0	1239	4857	4837	4130	0	7835	1408	0	8155	2177	Lipid	0.3043478	1.6086956	0.04347826
10	C23 H37 O7 N1	440.26428	440.26486	-0.15515365	440.26422	5110	4742	8499	6412	1468	2850	6897	15493	1009	2680	1445	4655	0	1516	6724	7887	6261	3366	2214	8497	4755	7829	4928	5220	11357	0	7145	0	8541	11626	11512	11166	8545	8414	6575	8795	13010	4802	6823	2485	1892	1876	0	0	0	3452	1426	0	14905	8023	7036	7071	2933	0	2321	637	1075	10862	0	1672	8817	2022	1626	1124	823	1272	2407	7477	0	5294	2077	10337	7697	12409	7080	8703	0	6582	4226	0	3120	660	0	2740	0	1279	29618	2183	2374	25714	18113	8355	7645	3712	4005	0	5590	6178	1258	692	1564	11139	3958	9121	0	9542	1109	0	10093	0	Lipid	0.3043478	1.6086956	0.04347826
16	C27 H37 O4 N1	440.27954	440.2802	0.011945127	440.27954	0	0	0	0	0	0	0	31441	0	0	1829	4416	0	0	2665	21908	0	0	0	0	0	0	0	0	59017	2452	0	0	4037	2312	1562	3209	3702	2023	0	2746	3022	0	0	0	0	0	0	0	0	0	0	0	1690	32440	0	0	0	482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1675	2128	0	2732	0	2533	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1631	0	1672	2048	0	0	0	2635	1225	0	0	0	0	0	0	0	Lipid	0.14814815	1.3703704	0.037037037
12	C27 H37 O4 N1	440.27954	440.28003	-0.06359506	440.2795	0	0	0	1717	0	0	0	0	0	0	0	5688	0	0	0	6406	0	0	0	0	0	0	0	0	1355	893	0	0	1847	1097	2229	2246	0	2030	0	2015	6766	0	0	0	0	0	0	0	0	0	0	0	2501	1110	1609	0	0	0	0	0	0	2131	0	0	0	0	0	0	0	0	0	0	0	0	0	1439	0	1602	1839	2102	0	1934	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4188	0	0	0	0	0	0	0	0	9623	2222	0	0	24691	0	0	0	0	Lipid	0.14814815	1.3703704	0.037037037
14	C27 H37 O4 N1	440.27954	440.28018	-0.1674017	440.27945	0	0	0	0	0	0	0	2639	0	0	2074	6693	0	0	0	2912	0	0	0	0	0	0	0	0	0	1444	0	0	1663	3577	2456	0	0	1326	0	3356	4143	0	0	0	0	0	0	0	0	0	0	0	2913	3182	0	0	0	0	0	0	0	2064	0	0	0	0	0	0	0	0	0	0	0	0	0	3676	2488	3111	1243	4208	0	3590	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2201	0	0	0	0	0	0	0	0	8139	4385	0	0	23109	0	0	0	0	Lipid	0.14814815	1.3703704	0.037037037
22	C20 H41 O9 N1	440.2854	440.286	-0.3571841	440.28525	0	1433	0	0	0	1922	0	0	4412	0	0	0	0	0	1440	0	0	0	0	0	0	0	0	0	2604	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4287	0	0	0	0	0	0	0	0	0	0	0	1802	37764	0	36133	0	0	0	0	0	0	13432	45970	14128	18893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6238	19443	0	0	0	0	0	0	0	0	0	0	0	1978	10717	0	0	0	0	0	10435	0	4527	0	0	0	Lipid	0.45	2.05	0.05
22	C24 H41 O6 N1	440.30066	440.3011	-0.2224057	440.30057	3528	5326	5574	8137	4186	2733	20531	6104	3186	3821	3254	4507	4765	0	8947	9780	14976	4238	7764	2279	3129	3635	3010	3590	3236	1893	20563	3296	6185	8366	5804	6552	6639	7798	1655	8322	4075	5128	10335	0	3223	3555	0	0	0	0	0	0	9546	5369	5418	3763	3038	0	4914	4331	2464	3876	1680	1655	6948	1488	3861	4817	1968	5899	3584	16702	0	3842	2368	4175	5695	7707	10403	7788	0	4369	2964	4621	3761	1813	11064	8176	5595	6149	7783	6334	4405	13250	9416	4074	3774	0	4163	0	5363	4550	1907	3923	8596	11496	3676	2555	2164	5468	5175	0	6254	3725	Lipid	0.25	1.7083334	0.041666668
24	C21 H45 O8 N1	440.3218	440.32242	-0.106625676	440.32175	5772	4026	5014	6586	0	0	0	0	0	63089	14594	0	0	0	0	0	0	0	0	0	4688	0	0	0	0	0	0	0	0	0	0	0	0	0	9842	0	0	0	0	12074	0	0	0	0	0	1586	0	0	0	0	4945	3719	0	0	0	0	0	0	226028	0	0	169413	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2538	0	0	5912	6012	0	0	0	0	0	0	856987	0	0	0	0	0	Lipid	0.3809524	2.142857	0.04761905
26	C21 H12 O11	441.04523	441.04562	-0.17334041	441.04517	7681	6161	4045	5920	16173	9821	2589	0	14060	3093	0	3201	27841	9833	0	0	0	23485	22508	0	0	10070	0	0	0	0	0	0	0	0	2656	0	3871	0	4292	0	3074	6409	2304	0	0	0	0	0	0	0	0	0	0	0	7296	5550	9775	0	18278	11657	5515	3235	0	0	4337	0	29359	14540	4800	16455	4025	3837	0	0	1784	0	0	0	0	0	0	3172	14181	0	15248	0	0	0	20706	13180	10909	5730	8831	5581	0	0	6711	8823	15082	0	8280	7023	8909	15068	20142	0	0	0	0	2566	10439	0	5056	26292	Phytochemical	0.52380955	0.5714286	0.0
22	C21 H12 O11	441.04523	441.04575	-0.12565899	441.0452	7461	5944	4574	5402	15138	8710	3037	2604	12047	2441	1272	3913	16055	6325	4432	1937	2212	26666	22248	1858	3314	6357	7756	3735	2589	0	3717	0	2824	0	2161	0	4020	2160	2294	1583	3062	4315	3393	0	1665	5737	0	0	0	1840	2009	0	2066	1729	6706	7936	12588	0	15455	11873	8389	3531	2307	3378	4192	1740	30137	15356	6769	17435	5295	3345	0	0	0	3052	1116	0	0	0	0	3891	12234	5302	12346	2968	0	0	20237	10646	9503	9339	9412	6553	0	0	5955	9684	14242	0	3681	6908	14935	21263	20687	4919	2000	2073	1852	3311	15133	0	3861	22936	Phytochemical	0.52380955	0.5714286	0.0
24	C21 H12 O11	441.04523	441.04565	-0.14622737	441.04517	5587	9055	5170	7395	12504	10960	2162	2456	16659	3430	0	3702	16675	6028	3838	3248	3718	18530	17048	0	4411	8963	6951	3840	2231	0	3255	0	3235	0	1504	2426	3576	1490	3083	1268	3442	6312	2394	0	1664	4329	0	0	0	1724	4313	0	2202	1780	5873	5449	9520	0	16095	14528	6485	2713	1402	1825	2960	1290	22225	15840	5082	15222	8840	1381	0	0	0	1718	0	0	0	1666	0	3195	14487	4660	12020	1132	922	1111	19936	11291	8459	7563	7794	4490	0	2721	7497	8113	10528	0	6319	5972	7924	14700	11293	3279	2586	2313	1502	3325	12909	0	2267	24158	Phytochemical	0.52380955	0.5714286	0.0
28	C21 H12 O11	441.04523	441.04565	-0.16929148	441.04517	7670	6367	5573	7086	14599	6156	2176	0	14698	3929	0	2822	23593	6997	5650	2953	0	23714	21497	2500	3705	11761	5324	2862	2938	0	3801	0	0	0	2335	841	3114	0	3537	0	3734	5738	2453	1130	2473	2387	0	0	0	0	3338	0	2198	0	8001	6495	12862	0	15093	13000	4734	3648	1282	1245	3233	1457	26949	13716	5199	20201	6149	1300	0	0	2002	1096	0	0	0	0	0	1494	13675	2414	12865	1861	0	0	20601	9142	9931	5475	7276	4954	0	1654	3997	8266	13163	0	5886	6689	7827	16969	20294	4164	2019	0	0	3461	10664	0	4863	22542	Phytochemical	0.52380955	0.5714286	0.0
16	C21 H12 O11	441.04523	441.04578	-0.035244897	441.04523	3690	4830	4844	6786	13628	7162	2028	0	17532	4846	0	2408	20350	2696	0	0	0	16554	9912	0	3171	18258	3920	0	0	0	0	0	0	0	0	0	0	0	6202	0	0	2226	0	2722	4342	0	0	0	0	0	5054	0	0	0	7208	6300	3644	0	12760	16558	5194	0	0	0	0	2950	41236	13742	8618	10262	9308	0	0	0	0	0	0	0	0	0	0	0	4428	13056	3908	5284	0	0	25364	5958	5452	4506	4396	0	0	0	0	20998	13826	0	8188	10608	12420	26522	17364	0	0	0	0	0	16808	0	0	24386	Phytochemical	0.52380955	0.5714286	0.0
20	C21 H12 O11	441.04523	441.04578	-0.087511785	441.0452	6018	7028	3946	5234	13461	6262	3513	0	18947	0	2320	4378	20533	7168	3910	1815	2403	16584	13400	2758	4171	19917	7007	4382	1626	1449	2046	0	2763	0	0	0	2510	0	5265	0	3210	3512	0	1392	3328	4986	572	0	287	2983	0	851	2300	0	3946	8497	8526	0	14657	16255	6179	3667	1408	1463	2935	2709	31029	17527	6954	16936	6577	2508	1164	0	2754	2030	0	0	0	0	0	1960	10572	4920	8832	2529	0	0	21414	10780	11539	8312	8224	4345	0	0	3121	11615	9328	0	7325	4346	15681	19959	19282	2626	2468	2657	3813	2215	12468	0	1687	20627	Phytochemical	0.52380955	0.5714286	0.0
16	C18 H16 O13	441.06638	441.06705	0.033697173	441.06638	6544	8104	6298	9431	31627	11977	0	0	38906	6127	5118	4140	52032	7197	2799	1646	0	28591	23614	3082	5870	11394	6417	0	0	1359	0	0	0	0	0	0	2551	0	3182	0	2339	2647	1954	4147	5632	7067	0	0	0	2988	8119	410	0	0	5850	7221	15397	0	22367	30660	10196	0	1833	2224	0	3027	57757	33400	8241	34204	8218	1847	0	2144	4668	1589	0	0	0	0	0	1424	6315	6369	3907	4757	0	0	33103	8317	9242	6336	9413	0	0	2866	0	10409	8847	0	7370	5788	20738	37536	27971	1734	3550	0	5697	0	23461	0	0	67025	Phytochemical	0.7222222	0.8888889	0.0
12	C18 H16 O13	441.06638	441.06705	-0.039505217	441.06635	9901	8693	9617	8955	32248	10569	0	0	33874	1893	8287	3739	42868	5466	2593	0	2732	18167	17666	0	5441	8412	5930	0	0	0	0	0	0	0	1026	0	1798	0	5487	0	3265	3382	1960	1678	0	8128	426	0	0	2413	9996	0	0	1478	11321	7306	14872	0	20287	29893	11797	0	0	0	0	2144	65127	32759	8878	36514	10454	0	0	1358	0	1327	1435	0	2012	0	0	2744	8662	0	6377	3080	0	0	36556	3826	3025	10901	11286	0	0	0	3255	22830	5504	0	12483	5072	32052	42364	34007	2916	3613	0	0	1649	24842	0	0	60761	Phytochemical	0.7222222	0.8888889	0.0
10	C18 H16 O13	441.06638	441.06705	0.051600914	441.06638	10923	9696	11955	9003	54744	16227	0	0	52938	4779	13485	8229	75825	8313	0	0	0	39853	46959	0	8061	15184	9180	0	2928	0	0	0	0	0	0	4293	0	0	3645	955	3795	5508	0	0	8022	12966	0	0	0	0	9024	0	0	0	14292	26493	28979	0	44250	58025	19524	0	0	5472	0	0	108674	59115	20409	66710	15756	3765	0	0	1492	0	0	0	5189	0	0	2256	12825	0	12474	4011	0	0	59733	8581	7050	16290	13206	8280	0	7605	0	27357	7926	0	12729	11184	53244	98613	70057	6768	7044	0	0	3585	46350	0	0	95481	Phytochemical	0.7222222	0.8888889	0.0
22	C22 H16 O10	441.08163	441.08212	-0.1405352	441.08157	23907	28385	21834	20300	31527	21261	6991	4185	38152	50515	21946	4642	45057	17035	10372	7151	4854	47559	37018	27764	36621	50781	15729	6404	10167	21569	5993	11882	4810	3072	3173	0	7580	2947	46834	1474	9812	8742	6798	19543	22811	10499	0	0	454	21260	32737	0	3325	4105	20196	22624	26147	365	34478	25587	17986	7854	3929	5089	8135	20566	60138	31510	13131	35305	16684	5804	18633	33239	38836	1965	1663	1320	3141	3054	482	6251	28966	38049	21845	21593	6734	15539	41022	22708	27804	11526	14660	10337	12314	12097	7296	55240	67964	0	17631	16682	29320	34376	34185	9167	4517	7146	20751	8554	29106	0	10802	56909	Phytochemical	0.45454547	0.72727275	0.0
16	C22 H16 O10	441.08163	441.08218	-0.078662574	441.08157	24375	26513	20712	23365	33968	19828	3777	3908	38752	80564	43198	5933	43139	19214	9556	7276	4683	32135	40779	50518	50893	64290	10369	6603	8065	30174	4308	24337	4313	3786	4448	0	6425	2480	112132	0	9411	10551	6163	31791	42088	6727	1045	0	0	26632	39701	0	3973	2577	27681	24983	18881	263	29547	28929	12246	10395	5331	6688	9277	23269	53860	33582	13381	36214	11680	5711	39723	38712	55789	0	2261	0	3980	2769	0	5213	22371	50867	18549	34632	5627	19602	39308	15543	21815	10880	14464	0	10439	10394	0	69386	78583	0	24920	23701	32526	38282	36339	7156	5215	7510	24072	0	31188	0	6860	51390	Phytochemical	0.45454547	0.72727275	0.0
28	C22 H16 O10	441.08163	441.082	-0.20003164	441.08154	6385	7404	7201	6167	9665	5541	2422	0	13619	14793	3988	2226	18842	5806	2859	0	0	21328	15843	5281	6810	19191	4951	2877	0	2555	1731	1923	0	0	1080	843	1280	1127	17734	0	1962	2273	1206	3853	5040	2405	0	0	0	4717	7510	0	0	0	7649	4884	7989	0	17988	10801	4748	1779	2398	2362	2115	4679	23627	12450	3478	15450	6133	1488	6306	11034	10218	0	0	0	0	1224	0	1152	8126	14519	8645	6098	2341	3309	18909	6375	9736	4446	4763	3320	3164	4829	4010	19024	25028	0	8309	5602	8804	12653	12880	2264	1626	0	3595	3704	8944	0	3242	20487	Phytochemical	0.45454547	0.72727275	0.0
14	C22 H16 O10	441.08163	441.08218	-0.06422938	441.0816	10743	13151	11182	12193	17752	8604	4264	2350	25865	57061	37269	3588	30415	6355	4141	4987	0	19882	15262	32424	31624	44283	4462	3385	1931	17182	2323	12663	2341	1278	2237	0	5348	0	76309	1887	4751	5715	2938	16305	31152	5978	0	0	0	14384	34474	0	2562	2026	11191	16117	10303	0	17176	16874	8911	6755	0	5932	0	15709	28825	15521	6086	23304	4846	4830	25904	24292	38184	2425	0	0	1673	1890	0	2859	13718	20746	10863	18684	1929	7995	21759	12149	12522	6715	9295	5826	5714	4821	6648	43299	41511	0	11027	11726	18022	27062	23182	4396	2363	4449	0	2920	13815	0	2523	24207	Phytochemical	0.45454547	0.72727275	0.0
24	C22 H16 O10	441.08163	441.082	-0.1777429	441.08154	13254	12947	11901	10763	24731	11074	2319	3757	22337	24017	10318	3049	32069	11022	4202	3248	0	30917	29039	14235	15515	32338	10647	3755	5993	9379	3204	4939	0	0	2308	2409	4390	903	35899	1125	4246	6334	4054	10031	8052	7188	0	0	0	13747	19026	0	2019	1461	12938	13010	16061	0	24333	18160	8511	4081	3105	4415	6421	7767	34661	25046	9320	26874	8359	3718	15539	22691	24359	1580	1172	0	1868	1292	0	1856	19918	20465	15413	9312	2392	9067	27192	14888	15573	6588	7901	4189	4379	5152	8144	44098	58701	0	13344	11421	17684	24034	26459	3188	2064	4517	8858	3164	16046	0	6009	33310	Phytochemical	0.45454547	0.72727275	0.0
20	C22 H16 O10	441.08163	441.08212	-0.1286128	441.08157	30064	26574	31911	28316	49287	26518	7037	6693	51696	84791	43862	5429	63281	19802	8191	10592	5924	63219	58984	46804	62515	69077	16267	11735	8700	39599	8794	24344	3941	1856	4084	2855	13209	3566	107668	3164	14289	10598	9192	38888	30449	15961	2138	0	0	39486	48749	503	4413	3873	31319	32928	30906	343	41668	38968	21466	9910	12114	8198	13017	26932	77797	47826	18077	46612	22168	8524	35389	42980	55045	3338	4242	1501	3904	4335	555	7254	33896	54493	27082	33579	8900	24338	55304	32178	23831	19430	13899	13489	15239	19335	13094	89978	82908	0	35207	27872	42270	49805	51826	11347	10700	16106	29549	6795	41709	0	10691	70038	Phytochemical	0.45454547	0.72727275	0.0
26	C22 H16 O10	441.08163	441.08206	-0.19436681	441.08154	8336	8268	9169	6446	15118	7965	0	0	18297	19129	5406	0	26557	5699	0	0	0	24041	20194	9411	14452	30681	8973	0	0	8940	2320	2175	0	0	0	0	3014	0	26215	0	4087	2869	3251	9768	8152	0	0	0	0	10424	14631	0	0	0	9137	8838	9281	0	18197	11786	4812	0	3887	0	0	3992	30936	16938	4329	18203	5861	1905	10624	13639	16905	0	0	0	0	0	0	0	13931	17588	12484	5873	0	4408	14938	9512	9999	5006	4651	2612	3814	6349	5166	29578	39412	0	9023	9724	12502	19123	18804	0	0	0	0	2144	11049	0	3892	27746	Phytochemical	0.45454547	0.72727275	0.0
18	C22 H16 O10	441.08163	441.08212	-0.10886627	441.08157	30551	33821	26608	33723	52261	24680	10385	5951	46646	99310	55668	6677	58129	24450	11201	8328	6801	55293	50172	56345	61832	88677	15259	9877	9596	41825	9801	26999	4432	3286	3493	3864	12072	0	136463	2771	12023	13278	7013	38812	41672	15326	1499	0	0	43851	44114	414	5665	3375	28226	34964	29007	0	46496	43499	22356	9778	10932	10901	6320	27564	86459	42045	20344	54586	19460	7503	43905	46430	70050	3847	0	1283	6674	0	0	6721	34293	64952	26984	49763	8022	26457	46451	32289	29750	18117	18352	12793	13915	24735	16219	83666	96664	0	36081	27836	44035	50767	49035	11194	4999	14016	28649	15032	34047	0	12880	58304	Phytochemical	0.45454547	0.72727275	0.0
8	C19 H20 O12	441.10275	441.10342	-0.104448736	441.1027	25519	29193	23382	25437	35521	18423	7157	12908	46001	39257	37719	16541	68203	12917	13687	14510	16811	34981	44404	21109	39921	37339	21535	18583	2964	2813	8649	12066	8523	7489	10523	9952	13993	9400	46122	6827	14615	14335	21120	14233	32100	18482	430	0	0	23687	42037	0	12640	13822	24998	25958	24450	0	41531	41004	19890	11375	8453	19049	23140	16002	81885	47585	20922	41537	21172	20571	9718	7714	15702	13525	9749	6927	10095	10099	0	10440	26625	23319	18589	12963	5487	6449	53146	17017	20801	19630	20873	20750	0	10146	15866	42487	29079	0	25052	27561	47249	60296	51949	16841	10748	13731	11146	10743	39337	0	7629	69025	Phytochemical	0.6315789	1.0526316	0.0
22	C19 H20 O12	441.10275	441.1034	0.14043324	441.1028	10435	8663	7565	7421	14392	8656	3631	2209	13032	9657	4272	3934	16220	0	7012	3183	2916	16967	9718	6858	13430	12603	5879	3419	2449	0	2726	4538	2365	1980	5345	0	4505	1710	14594	4067	5987	4826	3508	5127	8348	4328	0	0	324	18641	36455	0	2388	4044	8270	7087	9123	0	11925	7659	5047	3349	3656	3877	3704	10610	19325	11051	0	9179	4543	2819	6195	8509	8516	2300	1842	3960	1791	2942	0	5236	6294	5691	3157	22086	0	3912	10962	9182	4332	3773	4569	4879	6802	8498	5664	13992	10628	0	8118	6246	14286	8594	6936	4094	6480	4817	25405	3448	12306	0	1385	24755	Phytochemical	0.6315789	1.0526316	0.0
12	C19 H20 O12	441.10275	441.1034	-0.0642707	441.10272	230946	230004	220306	234324	264532	156739	86328	116684	391501	277924	256068	123438	462130	95902	122932	128506	97578	362186	405976	281552	309816	505156	181690	133514	39202	22842	74490	97610	83590	86046	94934	92472	145532	95250	406908	78790	160552	144486	125128	182858	296964	137458	4598	0	0	238376	503092	0	104338	98010	237064	230110	213240	930	414906	258453	146136	138680	141424	136884	134700	185786	621186	367292	120343	353322	169874	109622	111060	75980	145746	99802	87798	77060	84506	83016	524	119010	180904	274348	152002	202674	49884	55994	290560	143868	149916	139534	154568	141780	69468	148092	149476	456994	276186	0	267476	250740	340044	281736	258648	148314	121122	125230	394650	137454	263908	0	65952	590481	Phytochemical	0.6315789	1.0526316	0.0
6	C19 H20 O12	441.10275	441.1035	-0.033934865	441.10275	6160	5743	4967	6643	10706	5101	1594	1714	14214	8601	7770	3891	20081	3684	2656	5287	4292	10062	14550	4293	11884	7092	5333	3537	468	666	2206	0	1404	2548	1907	1927	3117	1781	8680	2093	3274	3083	5051	2464	6776	5200	0	0	0	3540	5383	0	2582	3126	6859	7119	7256	0	13361	13981	5041	3552	1462	4035	3314	2918	23666	11643	7765	12947	5857	5200	2322	2040	4009	1706	2702	1675	0	1550	0	1664	5461	0	3702	1796	1219	991	19186	5393	5170	6547	5567	3532	0	2665	4934	7601	5053	0	5243	6940	10966	21528	21178	3726	2663	3659	0	3019	15428	0	1811	19260	Phytochemical	0.6315789	1.0526316	0.0
14	C19 H20 O12	441.10275	441.10336	-0.08600529	441.10272	121422	121618	120354	114414	153530	124719	52246	63491	236266	141285	120034	65999	311253	65733	88237	51419	43480	248864	207200	126333	157037	229151	100938	73705	30404	14898	35541	43357	44418	37481	52677	62309	80651	43260	207172	42649	71118	70847	44799	92883	129674	79711	0	429	248	139250	264937	382	64344	53480	111311	116444	111985	388	269151	146368	75142	67494	113096	59975	70819	123753	342572	241663	67884	190387	106984	51615	66130	40628	76332	61478	50527	45815	44207	50564	293	68081	85393	119395	77631	137982	25299	29648	141804	86622	60764	87795	92990	46625	38071	77273	81986	194258	116440	517	125936	114760	159083	148681	135723	82458	61268	69074	214523	81446	125162	0	34814	312327	Phytochemical	0.6315789	1.0526316	0.0
6	C18 H20 O11 N2	441.11398	441.11475	-0.043840643	441.11395	8932	8248	6759	9512	8257	4554	2742	6328	13963	5677	7552	8137	17005	2135	3513	9394	8988	12590	14224	5985	13102	12280	6431	8151	1013	0	2734	0	3956	3261	4718	5430	9735	4964	9665	4467	6545	4042	9990	6672	15354	8566	0	0	0	7168	14374	0	6810	5529	11335	8403	7031	0	11554	9285	5274	5498	4309	8410	5949	6358	27473	15402	6996	12860	7572	13025	0	0	3134	5001	5445	3946	4459	6183	0	4135	5110	4220	4453	4594	2398	1008	14309	5816	4346	10685	9869	13054	0	4141	9839	9421	5462	0	8715	7751	7115	12589	14171	11005	6145	8020	0	7624	5819	0	2323	24247	Phytochemical	0.6111111	1.1111112	0.11111111
12	C18 H20 O11 N2	441.11398	441.11462	-0.055871535	441.11395	1282979	1262445	1388579	1248287	551077	715209	444156	1211483	700573	2667110	1686320	775031	1238990	241815	857746	1062283	568529	738402	1402090	2412670	2296735	2133420	1088553	1265417	493821	509449	692366	553401	918833	860444	933110	1016021	1229746	843114	3436924	909268	1032552	880736	951966	1615999	1965409	642037	10578	1220	524	1779798	2220043	0	1025005	1091162	1242195	1285688	793233	1056	1548013	778595	590393	1024672	685878	563862	547602	1398125	1598174	1126428	506196	1175666	730291	567871	775823	1372068	1558771	1026300	941689	906755	769771	934974	0	862087	1012487	595534	943503	1307288	707602	835610	895603	604391	880405	589910	746754	635082	401911	1086766	1199402	1620702	1506122	2770	1444428	1442924	1083621	773325	786436	1165307	764300	1125611	834935	882128	839271	1070	652935	1530712	Phytochemical	0.6111111	1.1111112	0.11111111
14	C18 H20 O11 N2	441.11398	441.1146	-0.01563434	441.11398	14349	17691	13986	19118	15513	14130	6413	13882	23245	10359	9124	18885	30735	5903	19603	16395	19208	32584	25133	18596	26781	43192	23182	22608	5714	0	7782	0	11150	11259	13292	14831	30027	12312	20378	14744	22018	16581	15891	15904	33733	17791	0	0	0	16571	52026	0	11643	10721	18684	20769	15358	0	33817	15669	11572	10853	24556	23488	21235	21487	35878	27394	11491	25837	17581	24727	0	4813	4936	13775	11131	14056	16850	10830	0	15101	15191	0	16771	15767	6438	5367	18231	9983	14344	18138	19708	25246	4869	13752	26679	23320	10942	0	18471	22601	11452	13816	15875	22341	16798	7187	26102	21243	13063	0	7939	34012	Phytochemical	0.6111111	1.1111112	0.11111111
14	C23 H20 O9	441.118	441.1186	-0.07724294	441.11798	39491	31487	37512	34991	26765	20499	15847	12783	29331	107012	74344	13593	35185	17240	11398	12959	14114	28604	33426	74594	67044	50140	17312	13716	11403	89865	12795	48426	13012	9834	14155	15731	18573	9903	120211	10420	10168	15486	15629	40535	62767	14963	0	0	0	39688	74388	0	11743	11506	35357	36757	21727	0	27829	19774	12570	20331	14513	16706	25205	31156	33198	30530	13262	28142	16989	14174	74627	113032	124944	12750	11327	10289	12698	13405	0	10751	29398	35847	20347	40782	15786	36133	27432	18853	25419	11160	20378	17698	15493	24137	23853	58353	52926	0	36599	21338	29918	29043	27161	16619	12575	17821	48058	11618	26254	0	14717	34142	Phytochemical	0.39130434	0.8695652	0.0
22	C23 H20 O9	441.118	441.11847	-0.152558	441.11795	47830	49762	39510	48073	60010	30468	12610	11044	69652	156597	80220	12975	72151	33744	18498	17407	6300	77739	61113	84487	100039	74421	23191	14955	15982	113776	8074	64714	11195	8013	9606	6544	18275	8281	171670	5929	18729	18471	8434	55354	55543	15348	0	0	0	66157	72692	0	14629	8393	44040	46374	42994	556	62367	52811	26656	17743	17061	8843	16327	48551	93704	55678	27864	59980	25128	14816	117203	159475	157215	10368	5821	2923	4942	7881	479	9230	37243	51691	32044	57701	16888	51357	65936	38081	36802	19276	22906	16841	29682	37872	23520	85422	103091	0	45094	46105	53003	63655	57732	16722	10062	18361	47791	15905	55255	0	16481	83941	Phytochemical	0.39130434	0.8695652	0.0
20	C23 H20 O9	441.118	441.1185	-0.11223932	441.11795	70164	71811	73871	68486	91594	53075	18767	18820	104636	262475	159385	18387	123209	52236	30600	31674	17798	98793	107076	164008	173249	123523	37586	30280	27892	210444	18667	112122	16301	12695	17036	17925	31085	12670	298129	12729	36052	30946	18623	120067	104532	36288	2429	0	0	118691	113540	842	16695	17700	79426	72630	64842	408	87396	71867	39911	34539	26280	19681	25602	83320	119228	75850	41351	91090	48534	19318	178476	246931	240512	19682	11463	7379	15152	15531	519	16098	61238	93539	46647	79832	24026	99514	99936	53959	57686	32474	36388	30582	37818	48578	42297	139398	149423	0	75226	73475	91335	87777	80079	30315	17908	24487	82289	29133	69552	825	23560	123878	Phytochemical	0.39130434	0.8695652	0.0
18	C23 H20 O9	441.118	441.1185	-0.13465534	441.11795	84061	80365	78982	83217	86002	46379	22684	32316	79882	273011	171552	18504	112564	54741	30768	28204	22188	111190	104796	199421	175399	141385	43625	42107	28668	210935	22994	119711	19487	19660	24652	23631	38149	25314	334489	21037	38212	31767	21807	114476	105992	28930	2923	0	0	100093	116402	365	29338	22711	80092	73594	54631	507	81338	65599	41294	43450	29546	24483	32513	89014	124653	74052	38121	99949	49409	24601	190855	265776	253196	22418	12098	9059	16513	18702	0	23558	63467	89820	46294	101209	24059	94583	88436	55336	54642	40370	40758	37821	53692	58809	51285	121677	152380	471	73782	64443	87893	64577	84303	26851	18719	41227	73617	31168	59734	0	30050	99823	Phytochemical	0.39130434	0.8695652	0.0
16	C23 H20 O9	441.118	441.11856	-0.09175719	441.11798	62025	60981	51541	57454	62098	30134	14799	22418	58610	213302	116829	16475	70684	35410	22148	33464	19974	67147	67368	122876	130860	93656	35258	35376	23572	154379	20388	84588	15540	15721	21086	17583	28552	14238	242429	14616	27672	23548	23317	84480	69810	21454	1252	0	0	78853	91816	0	22550	16951	63053	58904	41398	0	51872	51650	23643	26880	24151	16779	30349	56450	85200	42471	26471	60547	30697	17689	147523	194803	205073	14618	14757	10123	14867	17269	0	17876	47347	71840	39667	69729	22107	55842	55257	33128	44206	23865	29201	29569	39548	42966	49695	78551	106476	0	52695	57170	50618	50633	50342	25384	17554	26148	53624	24480	47791	0	24444	78399	Phytochemical	0.39130434	0.8695652	0.0
28	C23 H20 O9	441.118	441.1184	-0.17306152	441.11792	7809	6188	5921	7193	12329	4136	2508	0	11570	23121	8233	2195	17858	5934	4664	3415	0	13145	10963	12207	15097	12083	3215	3291	2696	15557	1695	6764	0	0	1767	0	3053	1292	25088	0	3129	2996	2228	9172	8186	0	0	0	0	6242	11920	0	1249	0	7996	8446	6236	0	12337	8822	3456	2752	1905	1705	2686	5934	18046	9293	4984	11410	4189	1457	20456	24623	30565	1107	0	0	0	1052	0	1354	10486	12906	6111	6493	1506	5572	12087	7382	7910	3181	2985	2774	4280	4192	2515	16029	23351	0	6904	6363	8327	14241	11970	2846	1274	2908	5612	3210	6889	0	1899	11855	Phytochemical	0.39130434	0.8695652	0.0
26	C23 H20 O9	441.118	441.1184	-0.19357048	441.11792	13738	11855	15077	12355	19444	10567	0	0	19194	35469	16120	3682	27929	9043	6264	0	0	22353	22350	23087	28679	26597	5512	0	0	25952	2426	12097	0	0	2782	0	3268	2366	44266	0	2970	3202	2656	14618	13777	0	0	0	0	16470	17156	0	0	0	12768	13365	11770	0	20505	18227	6422	3445	4520	0	0	10114	30320	14705	5829	19555	7508	0	32503	46190	54133	0	0	0	0	0	0	0	13411	18135	8454	13761	2718	9870	26881	10810	7675	6736	5346	2374	6450	6965	4241	32855	44729	0	15001	11133	15626	20618	24858	0	0	0	11223	4097	13813	0	2551	26495	Phytochemical	0.39130434	0.8695652	0.0
24	C23 H20 O9	441.118	441.11844	-0.1677767	441.11792	25101	24746	19307	18890	30587	17348	3615	5483	31158	65370	32981	4763	40504	19057	6093	7430	4297	38403	36360	38347	51018	41147	12999	8161	7442	56731	3462	21682	2611	2590	4780	1243	7024	4266	84115	1727	5403	9007	4223	33259	27503	8890	0	0	0	30108	39644	0	4865	4050	23368	21685	18847	0	28868	32376	14047	9748	5916	7506	6738	20154	51260	30607	11117	36704	15056	3049	53184	76564	75148	2082	3362	0	3296	2571	0	4085	20942	31173	19216	24691	5155	21830	47070	20341	15975	7662	11229	8716	7347	12808	5447	42286	55952	0	18092	23197	26030	32009	36453	6173	3517	5328	22562	6612	26441	0	7678	44896	Phytochemical	0.39130434	0.8695652	0.0
22	C25 H21 O6 Na1	441.13086	441.1316	-2.53992E-4	441.13086	12342	10838	12213	7720	5924	9465	5124	1249	6622	21572	20381	4088	11050	0	6412	4937	1816	0	10999	13686	27700	18926	7472	6621	5530	20680	4224	12970	1975	2366	0	0	8112	4146	28300	2253	7994	0	8142	23832	26936	5264	0	0	0	18012	28924	0	4002	3737	8815	9222	8138	0	6822	4800	0	6356	0	4422	4864	13438	9788	6970	0	8008	7420	6098	21851	27724	35006	6510	2402	1842	4004	3852	0	6340	15100	17722	6328	14860	6336	14952	8340	4706	9736	9421	3918	9924	11386	8864	14572	31349	29409	0	5522	11585	6528	10208	8890	4264	0	12809	12894	10696	5344	0	10380	0	Phytochemical	0.24	0.84	0.0
6	C20 H24 O11	441.13913	441.13983	0.06349655	441.13916	10613	19330	15406	18618	5404	5385	3891	17826	7376	14988	13198	9462	14486	2780	5775	10567	10078	15114	19178	13775	14524	9372	18078	24678	2651	4181	6317	4476	6387	8189	9085	18352	18234	6270	27310	18502	8172	6400	13927	7562	26750	10760	0	0	0	9133	16632	0	9402	19920	18022	22616	10804	0	10771	12042	11728	17744	8107	23458	8086	5558	20622	7745	7126	18408	5774	12104	6485	4827	11720	7382	9406	18078	0	7755	0	6275	17212	0	8126	12120	4587	3463	24610	4306	8210	10752	11800	16126	3732	4691	8541	13042	6754	0	9952	10703	6770	9485	11580	23064	6897	10855	11263	8976	16784	0	5109	21082	Phytochemical	0.55	1.2	0.0
22	C20 H24 O11	441.13913	441.13968	-0.05031534	441.13913	32490	27392	26499	31352	23888	25991	12607	29165	35536	62587	17914	18375	35233	18802	32000	22001	10569	43254	34996	50672	52277	30761	25225	21829	21594	13458	9806	19697	29369	20049	29046	29747	29469	23329	49025	27792	36030	23923	10977	39048	15978	11984	0	0	587	57034	45672	0	27177	25029	29172	29050	20732	526	44412	21284	17819	21498	25061	11520	17820	28316	45483	31204	11853	28226	16199	14472	21718	33048	19780	30204	25061	29265	13151	22739	673	24598	24778	16026	21997	39817	13947	18985	24065	21248	19676	18714	19581	8577	20754	33887	27993	22006	25429	0	25588	26928	23586	21703	18017	19739	22463	22201	38330	22965	19800	0	14617	50769	Phytochemical	0.55	1.2	0.0
8	C19 H24 O10 N2	441.15036	441.15103	-0.1264402	441.15033	93372	98879	72308	86469	39353	33062	47871	97560	60803	102188	59658	74812	70893	14097	67742	95406	83349	65529	80319	85126	101240	142100	72483	103299	34000	11380	47799	27491	82125	77758	86969	94679	101592	73630	124584	79623	91869	65335	101031	100029	122086	56287	439	0	0	99808	124988	0	91635	85228	91634	86725	49836	0	78815	36272	39717	72458	79874	86677	94635	71035	92806	74671	36268	61182	57097	108940	21548	19751	36778	95704	81454	80146	68250	76675	0	58121	71859	50809	54235	57109	50331	38016	45149	32441	55934	57128	60623	118574	39675	86703	129539	77991	85239	0	97938	90358	37873	47088	41280	103013	67365	101833	63062	88270	39718	0	50625	96911	Phytochemical	0.5263158	1.2631578	0.10526316
12	C19 H24 O10 N2	441.15036	441.15097	-0.14874144	441.1503	118353	119884	129214	112982	57930	65803	113268	181688	88181	133565	75856	94832	86079	23097	132754	114590	109831	124483	136538	155836	142645	255108	138825	157332	82493	17187	65714	46965	154911	111898	144826	127914	184449	119605	198984	122303	150981	118906	96317	161720	135238	77493	1189	0	0	146431	136885	0	139897	141858	131502	128059	68656	0	153647	51413	48664	146409	214400	110683	178588	128341	124559	98978	38793	104008	84394	103056	28688	49960	44174	141946	119184	123368	78807	112135	0	117520	95318	80329	84397	90098	85183	57926	58853	61054	83201	63262	79824	138426	105605	161063	216408	108407	94563	0	124673	132115	57645	47902	38566	156544	101622	151105	124720	145905	51338	0	86943	127630	Phytochemical	0.5263158	1.2631578	0.10526316
6	C19 H24 O10 N2	441.15036	441.15106	-0.13656157	441.1503	46532	40962	33660	36230	18055	15396	18886	38763	27322	40640	30526	27681	43960	8805	25756	44178	43499	34567	40902	37439	53557	63155	34500	49292	10687	2308	15002	12433	28240	33250	35691	38175	51511	35711	48079	33259	40753	25333	53231	33283	56392	21924	0	0	0	36509	61268	0	47278	39337	39091	43035	23471	0	37395	21881	16473	41359	30995	43934	46364	28147	52216	36409	16592	34320	29454	51808	6952	7147	12673	32967	32084	28772	21835	30392	0	21623	23944	19367	23453	20362	17323	10573	25819	21721	23004	26924	26094	53821	21827	32476	61124	36380	31603	0	38985	38963	16704	23333	25400	44335	25828	44744	41729	40601	22078	0	17998	52599	Phytochemical	0.5263158	1.2631578	0.10526316
10	C19 H24 O10 N2	441.15036	441.15097	-0.13007978	441.1503	123072	124701	110909	104915	54092	56397	81646	139211	80392	142122	79601	95651	84254	29803	115765	132272	92806	108744	117371	145869	137013	200618	111572	144886	59226	12646	77600	45618	125318	121201	122862	141669	163239	109673	184401	120343	159312	95103	101651	156394	136065	74711	1113	0	0	130581	136996	0	135944	120609	125105	125421	66931	0	133203	47752	51663	141739	161766	103434	160935	107334	111546	95762	48890	90314	74741	124461	34894	38166	41633	142574	129200	127178	88277	114330	0	91602	101258	60065	85319	82495	77402	45782	57013	54505	93417	73634	81751	115573	76197	128925	205701	104797	115539	0	126621	131726	50950	51539	48495	147987	94055	147769	115088	125552	53064	0	71570	131021	Phytochemical	0.5263158	1.2631578	0.10526316
26	C24 H24 O8	441.1544	441.15485	-0.20499276	441.1543	27042	21925	23989	19218	37050	16815	3164	8222	31575	61013	34574	6955	48984	17499	10885	9378	8761	32915	37862	50265	56237	30687	14206	11023	10090	84523	5046	32797	6977	7226	9672	4384	10634	6167	66147	5862	9688	10264	7841	39137	44026	11826	0	0	0	27933	36759	0	7025	7858	19788	24500	21262	0	29556	27574	11576	9298	9660	6878	13448	22773	49416	26239	10436	32477	18349	6620	98911	108791	139061	9875	5007	0	0	5173	0	6561	25546	23613	17557	19201	8724	24861	38872	14137	19084	14445	13046	8521	11585	15549	18869	28254	42441	0	22035	22840	23258	41138	39682	16300	5891	8574	17410	6778	23265	0	8802	42102	Phytochemical	0.33333334	1.0	0.0
28	C24 H24 O8	441.1544	441.15482	-0.18946475	441.1543	12711	11150	11851	8630	13389	7100	3978	3531	15631	29730	15420	2835	29091	8966	4165	7349	4084	16064	19031	21411	24111	13215	6995	8016	4320	35802	3315	16267	2665	2711	3398	3658	5433	3963	33327	3394	6189	2531	3923	14676	15261	4690	1480	0	0	11044	15535	0	4418	3052	11226	10500	14636	0	14437	14789	5460	6519	3742	2616	7385	9197	17989	10235	4775	18325	9385	4916	38515	45370	64454	3491	3080	0	0	2104	0	4287	12427	14850	8362	7381	3675	11581	18827	8091	12889	4424	5404	5621	6434	8620	6450	16099	19625	0	10033	12484	10647	18622	18597	5942	2695	5103	6883	4251	9454	0	2901	19440	Phytochemical	0.33333334	1.0	0.0
22	C24 H24 O8	441.1544	441.15488	-0.14770961	441.15433	133801	129191	114108	118466	135422	87472	37609	57606	142402	336942	231420	37036	151399	90704	56023	65572	35814	149397	134160	318514	290573	151128	68781	70144	56788	432205	32835	204276	56049	43189	50448	50659	65879	40772	379572	48822	67633	46928	43582	190576	170902	60172	5181	0	652	151127	144727	0	54631	50953	119967	122428	94467	852	127795	118074	62723	68342	59754	48373	59853	146695	168726	108565	60651	146771	81599	46272	408613	564379	576961	45493	37760	37802	30233	48844	983	41481	101962	97367	85262	113534	52860	146646	160871	90991	95844	56261	65477	62508	79101	96040	86422	132527	186081	2745	125262	117603	132654	126863	123652	59193	41576	70241	100075	65244	114269	0	53528	168055	Phytochemical	0.33333334	1.0	0.0
24	C24 H24 O8	441.1544	441.15482	-0.16313308	441.15433	55127	50803	51436	53663	64925	40203	11548	22658	73908	157735	94461	15553	93027	40342	23908	28358	18048	74020	73994	113090	127260	64982	38948	32516	19207	190043	10923	91974	16449	20097	20145	14398	26259	17529	167478	17769	28879	21840	20344	84914	85513	26475	3302	0	0	64754	70460	0	22509	20255	59898	53957	49748	0	68998	58013	29518	25852	23976	14703	31459	62242	91710	56836	30261	73321	35717	17784	179577	238195	257373	22383	14329	9308	11870	15631	0	20910	51940	47577	41454	56441	19480	68149	88407	39136	44049	26648	24696	21947	37935	34922	34848	62226	91330	0	53424	51883	53624	71075	76043	23523	14616	32763	51603	19964	58450	0	24808	89644	Phytochemical	0.33333334	1.0	0.0
20	C24 H24 O8	441.1544	441.15488	-0.12683772	441.15433	181616	180568	179942	154624	178883	121434	60090	89019	171169	488360	310990	62650	216522	119141	86838	99108	56363	182965	200334	426557	403938	194219	103469	108648	72216	660841	57319	267945	79446	68163	69581	78971	104038	75472	524460	70909	110793	76270	62404	269725	251978	78167	6013	834	508	199668	212024	1248	85178	78651	175999	172645	127582	857	170000	148498	84887	108496	86269	66286	106598	199895	207867	145906	79625	181413	106087	73261	519667	741080	774893	77189	70359	63365	60862	74177	846	67250	142709	139885	109271	135166	77046	235552	191103	113255	139570	88752	89383	105175	129136	138551	139566	163329	207182	1998	168378	176100	159884	158115	151273	88444	58781	109203	139011	102017	143728	732	76753	218228	Phytochemical	0.33333334	1.0	0.0
12	C24 H24 O8	441.1544	441.15494	-0.21525465	441.1543	20875	23782	24376	25151	10708	6491	14282	18200	7755	31718	25175	13775	7247	6530	9667	25641	17042	9817	11842	37367	25955	24860	14289	23944	9429	38380	16075	14334	13578	12937	15106	18797	10621	10393	35358	13634	12230	12007	19460	23371	34546	7965	0	0	0	20934	35358	0	14869	17835	18877	26966	7774	0	11758	8043	6257	19313	15647	15517	0	15451	9652	8531	5072	10317	8489	20046	34269	43805	49957	15953	12634	15674	17244	14442	0	10738	18336	0	20469	15574	15624	19112	11589	7339	15716	6666	6684	19014	14934	15462	18700	13384	21430	0	24606	20526	13184	10236	12733	13901	10470	22043	0	13500	10609	0	13976	9874	Phytochemical	0.33333334	1.0	0.0
24	C21 H28 O8 S1	441.15778	441.15826	0.10320397	441.1578	8141	16656	15502	7801	5542	19334	3974	16032	5708	35310	3965	8914	9428	3409	6764	9954	19820	11265	17276	38564	34000	19012	8679	8920	8565	8525	4100	5390	8114	7296	5939	7351	8533	5124	20334	6814	10854	3624	9486	14009	8160	13386	0	0	0	11611	10059	0	7280	6352	18274	8818	6072	0	7523	11290	5059	22304	12965	5754	18800	11089	18164	3920	5146	8429	6973	5732	8927	16168	22190	5186	4503	6443	9711	4007	0	11708	5590	14204	9750	6209	13972	20510	6107	5414	8127	4803	6919	8276	35398	21827	17308	10308	18063	0	7221	19272	6253	3701	4162	7315	2535	13623	9548	7754	3489	0	16294	9085	Organosulfur	0.3809524	1.3333334	0.0
6	C18 H24 O9 N4	441.1616	441.16226	-0.10929064	441.16156	8839	8375	6582	6797	2502	2372	4074	6986	5501	4982	1934	5771	5614	1576	6242	10760	8767	6101	6249	3502	3511	10605	7077	12411	4240	0	3147	0	6082	3280	8440	7729	9053	6056	3306	5640	7879	4981	10839	2669	4447	2629	0	0	0	3586	0	0	6605	5089	7789	6009	3984	0	8908	2253	3854	8151	4897	3605	6729	2699	6764	5409	3697	6318	4890	8992	0	0	0	6360	7718	4615	3848	4842	0	4669	6163	0	3660	1511	3343	0	3377	3754	5320	6526	4885	17162	4783	7088	21573	3784	2745	0	6182	7540	2301	3288	2946	8070	5471	5132	0	7387	2354	0	4890	8631	Peptide	0.5	1.3333334	0.22222222
24	C21 H28 O10	441.17554	441.17603	-0.04919107	441.1755	17818	18701	16345	19147	11553	13175	7340	20957	21083	51415	10524	12157	32067	6403	19790	15812	6727	24178	21838	33203	33632	18484	19553	20973	15863	10474	6872	8087	22422	17483	22232	19080	21782	16448	40801	17958	25571	16255	8210	18627	9696	8444	0	0	0	20456	16797	0	22760	15918	22146	17908	13632	0	28484	10978	7876	16306	17605	4854	15857	14074	27848	22871	3795	16184	10718	8136	10323	25126	21711	17687	20335	20855	8853	18997	0	17147	19017	6313	18655	14249	12541	9769	15683	8539	11969	8471	11812	5779	23017	19310	20882	7535	12780	0	21472	20399	12634	12708	10543	15458	11996	14090	11276	15126	7653	0	11069	30140	Lipid	0.47619048	1.3333334	0.0
8	C21 H28 O10	441.17554	441.17627	-0.085305974	441.17548	76852	63309	76916	69495	18896	38996	66765	121211	49596	103452	48004	49821	44215	9442	73410	79774	95171	34570	72223	114722	60709	87139	89274	129886	53262	22756	46314	32529	94713	62987	109102	108719	60081	55661	100411	101832	100734	75919	111405	51365	69176	41649	0	0	0	53212	71403	0	75146	101030	100039	55812	31400	0	68590	23422	37257	62393	103836	61165	71887	41181	50028	50296	19203	33997	52279	63460	24016	37207	35002	93997	92846	62042	94398	99704	0	69941	58048	34448	77569	35285	46761	29629	29955	14220	79092	27186	46842	112395	35226	79191	93908	36825	79232	0	104787	98756	28838	58161	22498	68626	68900	133023	24064	72211	30355	0	41352	37230	Lipid	0.47619048	1.3333334	0.0
18	C21 H28 O10	441.17554	441.17603	-0.106649645	441.17548	562538	540698	541694	512306	328955	386516	299822	688465	503571	1277286	394238	263586	664714	203351	554863	422575	184011	685174	706181	1077620	789594	655193	495670	592462	505005	270508	246001	356964	674426	492794	618736	585748	666533	529761	1469715	597151	722480	434752	214606	693751	203921	309925	8919	1728	923	555878	240776	1655	575886	528031	539070	509660	340050	2504	934959	325198	233144	511108	696353	148838	504698	425028	645699	534920	194334	439101	358124	201130	242212	702774	305145	632314	507446	613236	225238	574550	715	434617	365448	200848	371277	290951	374085	293009	306326	290508	306355	225521	340619	195018	497446	715593	708391	257140	460435	3098	552465	526431	315921	217884	215078	550173	352244	616886	234784	445910	238608	1459	306540	652611	Lipid	0.47619048	1.3333334	0.0
4	C20 H28 O9 N2	441.18677	441.1875	-0.15727817	441.18668	12499	13830	11569	10441	7458	10721	5380	15308	9904	10496	4980	7777	16250	5070	8964	12092	11318	14118	15487	10984	11707	21178	11313	14881	8149	1741	6314	3380	11306	10545	10363	11736	18204	8823	16478	12732	14918	9335	15657	11528	11042	8058	0	0	0	12812	11383	0	12572	11419	12973	10978	7476	0	14381	8337	4292	12253	11317	8443	12444	7315	12476	10701	4122	11863	7033	13227	2890	3308	2902	11463	10256	11114	3843	10627	0	9478	9367	6563	6939	7181	7828	3626	10367	7575	7771	6750	8748	14198	15451	18995	22837	7795	10407	0	9425	13237	5718	8829	11428	13560	6501	18483	6770	11931	6954	0	6537	16260	Lipid	0.45	1.4	0.1
16	C20 H28 O9 N2	441.18677	441.1873	-0.15319215	441.18668	46849	37272	43028	38970	21727	27836	35048	65334	29505	42428	16353	28930	44826	11029	54249	43030	26811	48929	43274	51670	38593	63548	43903	61895	57575	9234	29893	15732	62678	55163	57293	60326	70472	47998	51190	67719	77130	39775	28649	50670	16969	29249	561	0	0	46624	22536	0	60396	50618	37714	41104	24186	0	49456	12640	17613	49578	74101	22042	66366	30061	27049	29519	13262	28420	31351	30474	5309	27647	11855	59004	51652	56032	29246	45804	0	37837	35703	13841	24013	25120	44560	22308	15496	19883	37554	27079	30095	43717	54947	76442	121626	20501	35826	0	41231	50895	15397	9727	10100	67005	31282	53970	18635	64354	15764	0	33167	46512	Lipid	0.45	1.4	0.1
12	C25 H28 O7	441.19077	441.19135	-0.20789115	441.19067	17182	21398	13981	14387	5866	4672	12348	17661	9810	15929	11306	10574	2815	3242	10518	21035	15472	4676	8271	13548	12813	18261	11395	21544	11073	16673	15345	9203	8575	14778	13168	10942	17183	10257	16667	17993	11819	10868	20372	13016	19458	7441	385	0	440	11580	23552	0	17476	16763	15804	17512	4987	0	6720	7407	7995	13101	8647	24213	0	9866	6471	4820	2933	4962	7658	19576	0	20136	20583	12620	12385	18198	16761	16205	0	8297	14324	0	16216	12927	12534	11328	6929	7053	17158	3779	6962	34974	14636	14643	16366	8056	12458	0	18691	15489	7891	9011	7094	14882	11464	12226	0	12571	5006	0	15690	7944	Phytochemical	0.28	1.12	0.0
20	C25 H28 O7	441.19077	441.19125	-0.122013256	441.19073	336728	329889	309548	293741	283030	191389	156009	257532	280574	517748	408897	182111	329628	205736	213134	293564	198891	270051	339146	627346	670803	293042	227827	296235	199695	1133178	167092	380353	231045	203348	212433	229562	269932	207973	574230	212685	278540	183746	214374	414210	458197	186071	7809	1593	703	283141	299927	1773	242422	215588	296092	333989	225365	1662	254459	237716	172882	263938	191429	183266	253710	265943	303241	242826	140848	276580	212416	229397	856894	1153874	1410001	221908	206686	200380	195980	220538	680	175085	319344	218897	240558	194030	197893	380726	309076	181720	301752	174756	187260	289106	267565	241697	341369	228854	271661	2850	307371	326577	241834	258052	251385	252945	169013	292740	196352	264825	246276	1123	205487	329325	Phytochemical	0.28	1.12	0.0
6	C19 H28 O8 N4	441.198	441.19864	-0.13937709	441.19794	11080	9058	8592	7730	4032	5632	10753	14928	4770	4842	3112	6745	3631	3579	11658	16788	11837	7500	10784	3024	4250	9036	11290	15343	9856	0	8295	0	13637	11116	14951	12057	18977	10471	5209	11013	15670	8167	15405	2743	2078	8947	0	0	0	4336	3590	0	15219	12080	9641	9039	5438	0	5484	1640	3386	13474	5962	3291	13452	0	5233	3392	3058	4369	11046	17335	0	0	0	10387	8939	7609	6048	8551	0	9599	7365	4400	6697	3288	4751	0	1729	4718	9584	6462	13015	15420	22833	18904	26328	2996	0	0	11034	7575	1269	2049	1756	12765	8169	8172	0	13465	2520	0	11206	5827	Peptide	0.42105263	1.4736842	0.21052632
2	C19 H28 O8 N4	441.198	441.19882	-0.13435422	441.19794	5247	5802	4271	5237	2247	0	3371	4667	3100	1276	1071	4118	4538	1950	4426	1587	6063	4125	6301	1082	2426	4644	5371	4164	2887	0	0	5627	4528	2641	5786	5662	9065	4189	2285	4383	6638	3063	7856	1173	1502	11452	0	0	0	1716	804	0	4989	3475	6132	4087	3240	0	4091	1285	1396	7731	2298	1772	1538	550	3604	3589	0	4696	5537	6671	0	616	458	3840	3790	2347	292	3232	0	4884	3413	26157	3657	0	1453	325	1701	2488	5333	4564	5962	18314	10661	8065	14740	2899	332	0	3984	4239	2429	1913	1836	3570	4283	2628	559	7805	1642	0	3645	5477	Peptide	0.42105263	1.4736842	0.21052632
10	C19 H28 O8 N4	441.198	441.19858	0.023114756	441.198	3338	5220	4003	3019	1166	2502	3087	6516	1706	0	0	1854	1607	0	6139	4371	3591	3420	5094	0	0	5964	4271	7202	5384	0	3369	5267	7142	4707	5006	4333	6438	4203	2158	4203	3833	3447	4561	0	0	1667	0	0	0	0	0	0	4159	3713	2898	3692	1525	0	3428	0	1683	5225	5872	0	0	0	0	0	1521	0	3009	3979	0	0	0	4820	4885	4739	3269	3649	0	3841	4147	0	2934	1500	3733	0	1520	2213	4518	3090	1791	8285	22519	11079	10690	1809	0	0	3039	4074	0	0	1644	4488	3884	6180	0	5669	898	0	4782	1702	Peptide	0.42105263	1.4736842	0.21052632
8	C19 H28 O8 N4	441.198	441.19855	-0.09143565	441.19794	5779	6514	5543	5486	2544	4051	4904	8920	2571	2748	1250	3994	3236	1921	6550	7099	5544	3883	5351	1749	2076	7446	7532	11146	8076	0	5360	3997	5145	3467	7478	7861	7313	5179	3359	8108	8160	5367	6797	2377	1638	3966	0	0	0	3608	2241	0	9306	5263	6586	6823	2871	0	5671	1107	3170	9654	5596	2239	8644	0	3062	2456	2422	4412	3425	7766	0	0	0	5133	6253	4985	2483	5572	0	4398	5852	3712	5480	1679	3700	1207	1949	0	7127	3899	4094	12802	28140	21443	18797	4436	3661	0	6503	8051	0	1273	0	5421	4192	5406	0	9876	0	0	4258	3220	Peptide	0.42105263	1.4736842	0.21052632
10	C22 H32 O9	441.2119	441.2125	-0.11584288	441.21185	9155	11529	9833	10006	2331	5169	8114	15025	2877	4888	5009	10472	5380	1805	8508	16125	12643	2230	4527	6691	7459	9261	9875	11274	10459	3591	11438	3382	11609	15153	7665	14233	10312	7237	5566	11990	11308	8273	15790	5478	0	4463	0	0	0	8804	0	0	14248	12620	12423	9146	3167	0	8420	4519	2483	15698	9914	6630	16474	2058	2591	3389	2891	4329	4802	20443	0	5001	5690	7916	10416	14438	15311	11910	0	7434	10352	7941	8995	5114	10186	6251	5366	3058	12886	2848	4679	15241	0	4375	10196	3534	5463	0	9080	10732	3377	5386	7669	10035	7114	11263	0	7784	3834	0	9415	3870	Lipid	0.4090909	1.4545455	0.0
12	C22 H32 O9	441.2119	441.21246	-0.17332515	441.21182	25943	32667	28266	30590	12166	12103	32679	43438	13913	18874	14294	22043	10259	7118	28852	42688	48816	15405	20843	23386	19326	25660	24312	40053	22628	10944	36265	10169	34945	37801	33791	40597	36675	29539	27395	38700	30195	30258	38055	12970	17426	13474	690	0	0	23922	20127	0	43283	39019	33453	32266	16127	0	16710	10321	10752	42668	26861	14341	33706	11558	17452	14353	9106	14696	15406	39533	0	18748	11194	23056	29558	49327	52161	35584	0	26489	32595	24487	26893	18414	21221	11758	16916	15226	37715	10576	14974	49983	33231	28297	36659	16634	20951	0	30207	35589	11948	11989	18904	45318	18363	37266	0	28437	15238	0	30277	15601	Lipid	0.4090909	1.4545455	0.0
6	C21 H32 O8 N2	441.22314	441.22388	-0.17133522	441.22305	10158	9844	7838	7794	4389	5339	6037	14568	4297	8445	2703	5109	6684	2175	9114	15894	6332	6313	8429	9669	8471	14272	8752	16535	9532	0	4492	3970	12175	11624	11144	11839	17255	11448	12244	9432	13899	8103	4402	9363	3403	4641	0	0	0	7696	4718	0	13856	10234	11366	9113	4736	0	8744	3305	2599	14646	5374	2275	12670	3657	7078	6493	2056	5932	6377	8707	1663	3040	2868	11131	9570	9000	3638	7527	0	6647	4570	5089	5200	3673	4952	3549	2358	2809	7151	5207	6400	14791	22085	26407	23201	5269	7178	0	10343	7648	2263	2172	2865	13244	5880	15750	0	12277	3848	0	5793	5861	Lipid	0.3809524	1.5238096	0.0952381
8	C21 H32 O8 N2	441.22314	441.22372	-0.18190181	441.22305	27526	19062	23176	28000	11346	13900	14672	30694	9920	18778	7506	12630	18312	4904	21698	32856	14994	13888	18770	25516	20244	38074	16232	37080	22342	1300	13924	10422	24658	20490	25524	33018	35628	24072	34968	27913	35452	15228	0	22092	11942	9952	0	0	0	26478	8248	0	31084	15746	21604	20490	12422	0	20430	5234	5744	30064	13098	6012	28034	7128	14214	12520	3724	15356	14174	0	0	11970	4898	28042	23148	22172	13826	21848	0	16580	14332	9064	11000	7090	10984	7850	5684	0	20128	9594	16856	29344	45828	59204	62326	12356	26322	0	16816	22754	7950	5076	5806	34408	14510	32910	0	29414	7222	0	19082	19446	Lipid	0.3809524	1.5238096	0.0952381
14	C26 H32 O6	441.22717	441.2277	-0.1968301	441.22708	18070	9917	12056	10736	5415	4079	14898	17722	9933	5381	9541	13009	2899	3219	11597	16292	24156	2383	6480	13329	5854	13069	11604	14069	10245	8516	16864	8898	9810	12039	12757	22205	10914	5773	7259	13707	9432	15098	24627	10974	12465	6080	0	0	274	9023	12923	0	13740	16504	13312	17569	6360	0	6619	8145	7028	12346	9691	17457	0	5524	6076	4232	7887	6941	6053	28764	0	9546	17940	5973	9543	17268	18107	13577	0	9156	20618	0	20501	9059	13674	6306	9901	6260	17500	8432	6882	29915	11570	10593	17437	8112	6168	0	12575	14460	5568	10343	9724	16124	10421	10101	0	10046	8109	0	16339	2981	Phytochemical	0.23076923	1.2307693	0.0
16	C19 H36 O11	441.23303	441.23334	-0.22637571	441.23294	80553	68379	74202	97359	60696	44262	120078	146586	58037	83535	50994	61311	88008	33882	96048	108879	96249	86634	107025	164490	119103	71511	96687	117000	71205	132432	149136	106219	125583	112935	81141	92922	211194	79842	63114	125079	194604	81528	77577	143034	63156	63060	3710	6052	4524	92460	80859	6164	105960	129372	72279	88287	58737	3199	92100	59778	44634	99153	48084	122628	151128	50346	55047	47451	27867	48747	60501	81198	114642	137166	199242	83559	81903	119955	98379	85242	5391	62646	92079	65115	60432	55380	73023	41487	74757	50760	79311	56274	53487	81558	165206	173739	142311	0	85215	4866	187278	117342	40563	40005	66440	136587	49911	120912	47643	81471	63450	5695	139914	59616	Lipid	0.57894737	1.8947369	0.0
8	C20 H32 O7 N4	441.23438	441.23508	0.05078092	441.2344	4774	4430	4881	3760	1299	1829	1738	2631	681	1117	2847	1336	0	0	1590	3819	1673	1178	3738	0	818	3022	2239	4848	2803	0	1310	15529	2280	870	2786	2985	2031	1647	0	2021	2547	1763	1491	0	0	924	0	0	0	0	0	0	2544	2795	3779	5063	749	0	0	0	0	3550	0	0	0	0	1434	755	0	1523	1119	1241	0	0	0	2417	1495	1621	0	2559	0	1200	0	53107	946	1506	0	0	0	0	1568	726	2317	4409	288448	109586	3968	7729	2037	0	5290	6598	0	0	0	2533	871	0	0	3158	0	0	2552	968	Peptide	0.35	1.6	0.2
10	C20 H32 O7 N4	441.23438	441.23508	-0.038217314	441.23434	0	0	1776	1966	0	0	0	0	0	0	0	795	0	0	0	0	1830	0	0	0	0	0	1132	1474	1703	0	0	3662	0	1475	2134	1194	0	0	0	0	1771	0	0	0	0	0	0	0	0	0	0	0	1340	1108	1474	1566	0	0	0	0	0	2427	0	0	0	0	0	876	0	0	0	2327	0	0	0	1438	0	1357	1309	0	0	0	1172	7117	1175	0	0	0	0	0	1704	0	0	5182	64246	20929	6209	1704	0	0	1289	2351	0	0	0	1529	0	0	0	2111	0	0	0	0	Peptide	0.35	1.6	0.2
6	C20 H32 O7 N4	441.23438	441.23514	-0.07410661	441.23434	7028	6126	7537	6765	1009	2382	1285	2838	840	2098	4924	780	1644	0	4019	3053	0	1654	1808	0	1041	3215	2176	5436	3822	0	1577	18261	2795	1804	2596	1349	2921	1792	2045	3160	2184	1389	1760	0	0	934	0	0	0	0	0	0	2653	2048	4620	5311	1158	0	1700	0	0	6106	0	0	3261	0	1677	0	0	2339	860	0	0	0	0	2448	1809	1536	0	1485	0	1334	1500	69293	972	0	535	0	2838	2693	2601	967	983	5247	359944	125581	9005	11124	5327	0	5853	5416	868	1189	2435	2866	1424	0	0	3820	487	0	1600	2747	Peptide	0.35	1.6	0.2
4	C20 H32 O7 N4	441.23438	441.23523	0.005429092	441.23438	4571	4589	3000	3444	904	2435	0	2747	832	1530	3469	1215	2140	0	2561	1838	1580	1737	1668	0	739	1669	2031	4144	2676	280	0	25345	1789	1741	1963	1735	2151	0	0	1525	3119	1303	2510	0	586	497	0	0	0	0	0	0	1913	948	3591	3378	528	0	2139	0	623	4036	413	0	2715	0	646	740	0	1135	850	2253	0	0	0	2439	3352	2170	1354	2109	0	1071	1282	94610	597	485	711	0	863	888	1910	473	744	2850	230102	84963	6627	8988	2837	0	3033	4870	0	771	878	2756	523	0	0	2044	590	0	943	2328	Peptide	0.35	1.6	0.2
12	C20 H32 O7 N4	441.23438	441.23517	0.12359603	441.23444	0	0	0	0	1011	1458	0	0	0	0	0	0	0	0	0	1626	0	0	0	0	0	0	0	0	1613	0	0	0	0	0	941	0	0	0	0	0	0	0	0	0	0	911	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1372	0	0	1424	0	0	0	0	0	0	0	1274	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22456	4803	3258	0	0	0	0	0	0	0	0	0	959	0	0	0	909	0	0	0	Peptide	0.35	1.6	0.2
2	C20 H32 O7 N4	441.23438	441.23526	0.004493588	441.23438	771	762	791	960	664	0	933	2001	489	0	0	903	777	264	1567	591	1493	763	656	0	0	866	1314	1103	1165	0	0	2167	1767	878	1154	1209	2746	1200	0	1720	920	1513	1315	0	0	0	0	0	0	348	0	0	1196	771	866	1244	352	0	964	255	0	1608	434	0	492	0	0	823	0	1113	1090	1423	0	0	0	620	1634	749	0	1028	0	773	1285	25066	780	0	0	0	349	266	2390	797	519	3291	7934	4757	3415	1924	0	0	1387	1404	0	330	290	1298	813	915	0	955	0	0	794	0	Peptide	0.35	1.6	0.2
26	C23 H36 O8	441.2483	441.24866	-0.19396706	441.2482	9858	7966	7626	7802	5153	8450	10262	0	7277	7722	4675	4508	12073	5346	0	0	0	13824	15241	10651	0	7806	6260	6557	9544	0	8706	9840	17738	9660	9894	9927	14789	11175	15283	10698	20927	6091	3060	7572	0	0	0	0	0	0	0	0	11580	0	5904	7401	6232	0	13877	6918	0	10358	13414	0	8322	4856	12788	6598	4323	13550	8475	4005	0	7289	0	8078	9769	9366	0	8424	0	5271	3584	0	0	0	15481	5779	0	0	4156	3284	9527	4183	21175	27023	13328	3652	0	0	7202	9660	4528	6399	0	13356	3969	9003	13878	4627	0	0	5313	8768	Lipid	0.3478261	1.5652174	0.0
18	C23 H36 O8	441.2483	441.24875	-0.2564388	441.24817	15758	12847	14687	16884	6427	9562	31666	19659	9960	4753	5757	15247	11144	5503	12549	20558	21547	10052	26036	11698	5703	10654	12113	11689	15526	7188	25189	6602	28362	25388	19335	26386	26452	24612	7800	19702	19081	14765	22938	4889	4077	10868	823	0	0	7015	2537	0	22751	13448	15764	12974	15175	0	20994	15736	10621	24313	12006	7015	23515	3700	14006	14565	9314	17067	13758	21713	2923	3888	5079	15299	14575	26575	28248	23235	0	13387	20662	8653	12299	6147	35916	20484	14484	14869	16767	11570	12895	24507	14506	13686	18503	6107	4290	0	15262	22261	7213	18104	18858	28509	13873	13520	7477	14569	13127	0	15571	13174	Lipid	0.3478261	1.5652174	0.0
8	C22 H36 O7 N2	441.25952	441.26022	0.093004905	441.25958	2370	1966	1639	2011	0	0	1195	2301	0	0	916	0	0	0	1848	3417	1115	0	0	1011	0	2816	820	4007	3453	0	1240	0	2383	1341	1232	2573	58797	1169	0	1422	94482	1526	2148	1458	0	776	0	0	0	0	0	0	2411	1707	1598	1480	711	0	0	0	537	6360	0	0	4092	0	0	0	0	0	1019	1839	0	0	0	1546	1042	1677	1438	1708	0	1520	1738	0	0	0	0	0	0	0	4336	0	0	10425	0	0	4990	0	0	0	2359	2036	0	0	0	0	0	0	0	2120	0	0	2945	0	Lipid	0.3181818	1.6363636	0.09090909
18	C27 H36 O5	441.26355	441.264	-0.24068458	441.26346	28853	21174	19683	18897	14906	5188	33771	18743	12643	9581	10877	18518	7522	11156	20336	31610	61614	6855	19156	10396	8211	11964	12423	16017	19356	16381	35156	11009	15561	23810	16700	21439	22078	5791	9168	16412	16218	19923	67710	6040	15632	12279	297	0	0	7051	14702	0	15067	17378	18411	18964	16746	0	18166	20564	16012	22656	9671	22702	16893	3817	12907	15530	11897	8491	14674	78557	15525	9023	23830	8645	9158	23626	43723	29462	0	13480	35823	12591	25794	8694	16144	7669	32545	20855	38106	9270	10541	58482	16559	18458	22656	9611	11062	0	24805	17777	17033	36869	41103	27487	12936	15657	5408	17106	19339	0	29395	7059	Lipid	0.18518518	1.3333334	0.0
14	C20 H40 O10	441.2694	441.27008	-0.02649128	441.2694	3896	0	2228	0	0	0	3522	0	0	3007	4348	0	0	0	0	0	2144	0	0	0	0	7536	0	0	0	0	0	23068	0	0	0	0	0	0	0	0	0	1428	0	0	0	0	0	335	0	0	10124	361	0	0	2124	2647	0	448	0	0	0	1485	9458	21774	37570	4008	0	0	0	0	0	0	35115	0	0	0	0	0	0	0	263	0	0	17910	0	0	0	0	0	0	0	0	0	6493	35802	9401	0	0	0	0	2621	2025	0	0	0	0	0	0	31383	0	0	0	0	0	Lipid	0.5	2.0	0.0
12	C20 H40 O10	441.2694	441.2701	0.116928354	441.26947	10551	5625	8061	9894	0	0	5583	0	0	0	4348	0	0	0	0	0	0	0	0	0	0	18193	0	7452	0	0	3311	20017	0	964	0	2407	0	0	0	0	0	0	0	0	8452	0	0	0	0	0	4154	0	0	3423	8034	7673	0	0	0	0	0	3752	0	14315	194288	2071	0	0	0	0	0	0	69163	0	0	0	0	0	0	0	0	0	0	32167	0	0	0	0	0	0	1470	0	0	0	38666	16332	0	0	0	0	8544	9455	0	0	0	0	0	11918	0	0	0	0	0	0	Lipid	0.5	2.0	0.0
8	C21 H36 O6 N4	441.27075	441.27127	-0.13656478	441.2707	0	0	0	0	0	1785	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8477	0	0	0	0	0	0	846	0	0	0	27557	9698	1892	0	0	0	0	987	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.7142857	0.1904762
10	C21 H36 O6 N4	441.27075	441.27115	-0.3348708	441.2706	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3228	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8305	0	0	0	0	0	0	0	0	0	0	46928	14662	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.7142857	0.1904762
6	C21 H36 O6 N4	441.27075	441.2706	-0.25969678	441.27066	0	0	0	603	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	707	656	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39242	9038	1034	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.7142857	0.1904762
26	C24 H40 O7	441.28467	441.28497	-0.22337882	441.28458	10033	8467	9373	7305	4207	2639	73937	9384	2432	3278	4869	4218	6679	9743	0	9825	5385	4980	0	8862	5310	3436	0	0	0	0	64561	17998	21238	14773	13357	16176	15588	9975	8761	15607	17920	3313	4687	0	0	0	0	0	0	0	0	0	21116	0	6037	8260	4479	0	0	0	4497	10994	18423	3985	7807	9386	7616	3589	11975	12518	15493	6847	0	0	0	5794	7392	0	0	13628	0	5653	4134	8388	4002	4537	22383	11537	0	0	4412	3333	6322	4301	25378	24326	4756	3338	0	0	7840	8047	0	4336	0	18858	3841	23435	35028	5104	0	0	3831	4638	Lipid	0.29166666	1.6666666	0.0
22	C24 H40 O7	441.28467	441.28503	-0.2095739	441.28458	3100	2985	4748	3293	4653	1303	49915	2381	0	3376	1649	0	0	0	2112	2878	8472	0	1757	0	0	1453	1468	2413	2355	6736	37558	4382	3262	1493	2150	0	2657	2519	0	2726	2297	1331	6478	0	0	1809	3193	0	0	0	1985	0	3599	1781	2764	3257	0	0	0	2153	1890	5196	0	3861	2499	0	0	0	4413	4404	5957	7775	0	0	0	2819	3097	5120	4628	2369	0	1671	1694	4749	1645	0	48035	32747	0	2851	5753	2289	1494	4225	21804	4560	2205	0	0	0	3392	4890	0	1272	3707	4277	1740	2573	2408	2303	2633	0	1551	0	Lipid	0.29166666	1.6666666	0.0
24	C24 H40 O7	441.28467	441.28503	-0.31174773	441.28455	6778	6906	9681	9664	2760	2356	100598	3988	4115	2388	1969	2325	6068	14525	5793	8044	17176	7970	7866	2049	1501	3642	6242	1409	5150	7383	78145	12987	6895	6983	4121	11325	10246	5787	2489	8358	10227	4462	17442	1613	1812	4755	0	0	0	1309	0	0	9373	3138	6646	6237	5221	0	3481	3748	2109	9861	3091	3059	9929	1184	9624	3429	15369	13742	16125	12817	1320	2295	2712	4078	7249	5526	3942	5351	0	3731	4197	10624	5793	4792	45020	39781	3917	0	6682	3792	6220	13041	18004	20364	11710	0	0	0	9537	7627	3351	3178	2794	7476	1833	3539	11016	7754	3698	0	5005	4272	Lipid	0.29166666	1.6666666	0.0
20	C28 H40 O4	441.29993	441.30035	-0.19370261	441.29987	5012	4353	5295	6768	2550	2358	15907	3945	3988	0	0	8490	0	3438	6393	10892	49764	1844	3128	0	0	0	1488	0	7594	1366	18812	1488	7703	13030	7063	9755	7555	4039	0	11988	7322	6143	49603	0	0	2526	0	0	0	0	4512	0	6409	6838	3219	5522	3945	0	5027	4469	6213	6918	1577	4609	5152	0	0	2812	7671	0	3543	53072	0	0	0	0	4838	12928	33230	12455	0	6823	8545	4079	7239	0	3215	0	12111	8530	17187	2976	2969	32736	0	3586	5650	0	0	0	4611	6948	7438	11436	13332	12861	5578	3151	0	4830	7095	0	11288	0	Lipid	0.14285715	1.4285715	0.0
12	C22 H40 O5 N4	441.30716	441.30768	-0.25635898	441.30704	2818	3184	2373	0	0	1604	0	0	0	0	6197	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38877	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1397	1930	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	126536	0	0	0	0	0	0	0	0	0	0	275867	68601	0	21685	0	0	2860	2804	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22727273	1.8181819	0.18181819
10	C22 H40 O5 N4	441.30716	441.30774	-0.14393635	441.3071	5132	0	4829	4684	0	1073	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67567	0	0	0	0	0	0	0	0	0	0	0	0	0	1346	0	0	0	0	0	0	0	0	4267	5378	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	906559	0	0	0	0	0	0	0	0	0	0	394053	65422	0	43855	2964	0	2882	2963	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22727273	1.8181819	0.18181819
24	C25 H44 O6	441.32108	441.3212	-0.25500324	441.32095	0	0	1447	0	0	0	43586	0	0	0	0	0	0	5963	0	1466	7511	0	0	0	0	0	0	0	0	2347	43321	2969	0	0	0	1658	0	0	0	0	0	0	5356	0	0	0	0	0	0	0	1287	0	1522	0	1453	1836	0	0	0	0	0	1265	0	0	0	0	1352	0	4823	0	1256	7557	0	0	0	0	1483	0	3012	0	0	0	0	1662	0	1008	7851	9605	0	0	1791	0	0	4160	5515	0	0	0	0	0	1553	0	0	0	0	0	0	0	0	1172	0	0	0	0	Lipid	0.24	1.76	0.0
28	C25 H44 O6	441.32108	441.32147	-0.15575553	441.32098	1919	2463	1328	2682	1331	2490	28033	4681	2155	2309	5443	1803	0	5321	3384	1987	3397	0	0	0	0	2424	3047	0	2811	0	16572	10397	2840	3311	1744	3189	3289	3431	2131	3139	2381	2567	2232	2177	2237	2754	2670	2795	3343	2626	0	2638	2348	2541	1553	2015	2311	5201	3084	2349	1860	3494	6451	3820	3674	3053	1263	2058	4170	1596	3000	2474	3617	2473	2542	4175	2615	3123	3341	4033	4285	2576	2521	7168	1580	4914	3823	4459	2444	2012	2800	1591	2753	1894	9555	5515	2688	3084	2189	3490	2401	3120	2591	2930	2490	0	2946	4422	9051	1837	1775	2052	2303	1652	Lipid	0.24	1.76	0.0
26	C25 H44 O6	441.32108	441.32126	-0.2741227	441.32095	6098	4816	3867	4527	0	0	142081	0	0	0	7335	0	0	29240	0	0	0	0	0	0	0	0	0	0	0	7828	128945	17553	5640	7337	5099	4114	0	2579	0	0	0	0	4243	0	4487	0	0	0	0	0	0	0	6699	0	5039	5133	0	0	0	0	0	4083	0	5520	9924	0	4491	0	19307	2172	8096	4337	0	1589	3246	3050	2852	0	0	4931	0	0	0	7301	0	3529	18356	17772	0	0	2767	0	0	2647	13452	8277	0	1908	0	0	4646	0	0	0	0	0	0	0	7033	0	0	0	0	0	Lipid	0.24	1.76	0.0
4	C24 H44 O5 N2	441.3323	441.33304	-0.15876648	441.3322	3090	1002	3042	1481	0	0	30408	0	0	0	137834	613	0	0	542	0	0	0	0	0	0	0	436	0	947	35252	272448	103865	0	0	0	0	0	0	0	0	0	2514	0	0	0	0	0	0	0	0	2937	0	0	0	2911	639	0	0	0	793	3393	0	0	0	0	3199	0	0	377759	0	0	1235	321589	1273	48310	0	0	0	7007	0	0	0	0	156642	0	0	0	655	0	0	0	390	0	1209	0	0	1430	1001	2565	0	4353	5851	3082	0	0	0	0	0	29783	0	0	0	1890	0	Lipid	0.20833333	1.8333334	0.083333336
6	C24 H44 O5 N2	441.3323	441.33295	-0.13969271	441.33224	1573	3671	2459	2638	0	0	1213	0	0	0	3806	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2874	4513	0	0	0	4845	7190	0	0	0	0	0	0	0	26815	0	0	0	2887	0	9903	0	0	0	2221	0	0	0	549	0	0	0	0	0	0	0	0	0	0	6044	0	0	0	2485	2363	0	0	0	16784	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.20833333	1.8333334	0.083333336
24	C29 H44 O3	441.33633	441.33667	-0.26718715	441.3362	8217	7405	6905	10030	2321	4321	22705	19644	3114	0	2458	16937	0	5451	15418	28939	76608	0	3385	0	0	0	7527	3914	16712	0	24067	2393	13857	44024	21162	17246	8243	5426	0	31245	5555	20908	72492	0	1714	3710	0	0	0	0	1661	0	13735	36773	6991	11305	3451	0	4595	4099	6796	12969	1075	4456	14707	0	0	1716	11640	2124	5844	80305	0	0	0	4047	9099	39721	43302	28664	0	14840	21256	4160	11895	1308	2159	0	8612	9917	51010	3487	5631	90994	3460	3143	4564	1670	0	0	8122	7797	4984	8661	13062	18851	13912	1587	0	8284	5256	0	21808	0	Lipid	0.10344828	1.5172414	0.0
22	C29 H44 O3	441.33633	441.33676	-0.18908112	441.33624	1375	0	0	0	0	0	4202	1349	0	0	0	1125	0	0	0	3990	20895	0	0	0	0	0	0	0	0	0	2513	0	1327	5635	2939	0	0	0	0	4042	0	2805	19101	0	0	0	0	0	0	0	0	0	1594	6640	1362	0	0	0	0	0	0	2476	0	0	0	0	0	0	0	0	0	24171	0	0	0	0	0	4761	8317	3735	0	0	3059	0	1408	0	0	0	0	0	8312	0	0	16678	0	0	0	0	0	0	0	0	0	0	0	1945	1722	0	0	1361	1172	0	2462	0	Lipid	0.10344828	1.5172414	0.0
28	C21 H15 O10 N1	442.07687	442.07727	-0.1545003	442.0768	3679	5710	3513	4200	5779	3550	1353	0	7184	14633	3697	894	8083	2723	0	0	0	10475	7854	5178	6804	13786	3446	2369	0	0	2207	1163	0	0	0	0	1541	0	16470	0	2453	2360	1125	4610	10666	0	0	0	0	6725	12460	0	1488	0	4526	4162	4436	0	8837	3977	2426	1917	1546	2274	0	6452	12345	5893	2013	7318	3455	2176	2336	3074	3490	1323	0	0	0	0	0	1674	5063	10435	4031	3461	1151	2231	6249	3004	3360	3228	5127	2293	2491	4506	3966	18800	24290	0	5094	5449	3987	3850	3467	0	1052	2342	3679	2371	3683	0	1839	11331	Phytochemical	0.47619048	0.71428573	0.04761905
26	C21 H15 O10 N1	442.07687	442.0773	-0.09605368	442.07684	3758	4867	4997	4219	6179	3129	0	0	6477	12766	3051	0	8745	0	0	0	0	9904	8601	0	7528	22620	0	0	0	0	0	0	0	0	0	0	2353	0	11627	0	0	0	0	6492	8945	0	0	0	0	0	13042	0	0	0	3548	3637	7103	0	5879	0	0	0	0	0	0	5803	12685	7544	2515	5519	5291	2115	0	2098	2730	0	0	0	0	0	0	0	5005	10106	5129	5206	0	2769	7351	0	3763	3237	3102	2387	2146	2100	0	22072	25708	0	3930	0	3710	6073	0	0	0	0	0	0	0	0	0	12047	Phytochemical	0.47619048	0.71428573	0.04761905
18	C21 H15 O10 N1	442.07687	442.07745	-0.091804795	442.07684	9861	7013	8134	6690	12893	4864	2287	0	14173	29929	13080	2386	19997	5127	2160	2404	3602	12945	10658	13537	18262	39370	6053	4589	2365	6790	1646	8402	0	1395	0	2350	6174	0	33302	0	4026	3489	2204	16555	28956	5673	0	0	0	13483	23819	0	0	0	7820	6458	7587	0	19728	16971	5739	5350	1968	4668	2732	15131	22246	16253	3988	13330	5434	2437	8569	11203	23251	0	0	0	1910	0	0	0	11604	26718	5281	16727	2038	9870	15509	7224	5256	6924	4485	6329	0	6077	10056	42560	42426	0	11301	6139	8198	17177	14221	3659	0	1947	9583	3414	8314	0	4663	18997	Phytochemical	0.47619048	0.71428573	0.04761905
14	C21 H15 O10 N1	442.07687	442.0775	-0.04699328	442.07684	0	4684	3004	3127	8104	2857	0	0	8632	19965	11863	0	12882	2544	0	0	0	8025	8128	5900	12589	17953	0	0	0	4998	0	0	0	0	0	0	0	0	27168	0	0	1643	0	6139	14582	2766	0	0	0	5648	9952	0	0	0	3420	4132	4854	0	14422	6890	2980	2961	0	0	0	7687	17842	10326	2280	12273	2499	1526	0	6869	10830	0	0	0	0	0	0	0	3683	19045	2766	9365	0	4309	8351	0	3114	2483	2670	0	0	0	0	27154	16966	0	4208	0	6536	10692	8966	0	0	0	0	0	5367	0	0	15655	Phytochemical	0.47619048	0.71428573	0.04761905
16	C21 H15 O10 N1	442.07687	442.07745	-0.02712236	442.07687	6547	5523	7236	11264	13244	4996	3030	0	11516	32782	17012	2473	14779	4983	0	0	2820	8190	9993	13125	25397	28491	3052	1919	1463	5555	1344	4415	0	0	0	0	0	0	41457	0	3929	2844	2175	13458	24205	3312	0	0	0	9107	25845	0	1631	0	8123	6713	4107	0	11598	12847	3763	3696	1508	2159	0	11278	27649	12531	3791	14977	4393	2602	11622	9080	19904	0	0	0	0	0	0	2262	8643	25613	1275	9499	1583	7975	16516	5079	8210	5500	5241	0	3598	5376	0	32379	42676	0	6504	5124	11299	14110	15023	3237	0	2557	14724	0	8956	0	1788	19602	Phytochemical	0.47619048	0.71428573	0.04761905
24	C21 H15 O10 N1	442.07687	442.0773	-0.20399594	442.07678	4288	4760	4019	5995	5152	4310	1404	1745	6981	11085	3173	0	10283	3245	3110	0	0	10553	11538	1957	10121	20480	3603	1343	2627	0	0	0	0	2591	0	1010	2157	0	14670	0	1984	2213	0	6807	9182	1609	0	0	0	6866	12881	0	1493	1305	3800	5072	3522	0	10507	5455	2556	1604	1630	1612	1229	7157	13631	10092	4182	7980	2443	1443	2562	2251	3523	0	0	0	0	0	0	1511	7334	12453	6294	7142	1107	2224	9547	4495	5598	2652	3022	2597	1827	2442	2205	30785	29179	0	6681	3798	5654	7069	7035	2654	1139	0	7430	962	5601	0	2400	15691	Phytochemical	0.47619048	0.71428573	0.04761905
22	C21 H15 O10 N1	442.07687	442.07733	-0.15808448	442.0768	6346	5991	5704	8478	9626	5777	1260	0	11380	19635	5507	1163	13193	0	2049	3801	2156	17458	10814	8598	13403	28822	3767	1636	1977	0	2507	1771	0	0	2356	0	3295	1456	18250	1591	5135	1540	2059	12221	17168	5308	0	0	0	8693	20241	0	0	0	4715	6319	5319	0	13715	9995	4577	3253	2622	2632	3384	10166	16434	12827	2675	13844	3709	2869	5906	3793	10343	0	0	0	1042	1064	0	995	6349	18698	5202	9644	1469	4577	10370	6316	5163	5018	5476	4268	2505	0	3579	33108	37459	0	7619	7341	4385	10347	8860	2705	2348	2448	10962	2716	5527	0	2060	18742	Phytochemical	0.47619048	0.71428573	0.04761905
20	C21 H15 O10 N1	442.07687	442.07736	-0.15887864	442.0768	7805	8755	8320	5186	15015	6634	3180	0	14635	26600	8999	1093	15473	6023	1840	0	3601	16738	12496	11614	21508	39815	3600	2355	2931	3198	2894	4845	1915	1353	0	0	3933	0	36874	0	3352	2684	2508	19211	26448	5293	667	0	0	12157	21361	562	0	0	6717	8863	7926	0	16594	10584	6591	0	2801	4980	3925	12859	22954	17347	6722	13562	5987	2832	12044	7500	10008	0	0	0	1666	0	0	2622	8282	29483	7798	14478	1549	12500	14054	7837	7176	8243	5864	7526	3025	8018	8071	40606	37154	0	13367	5914	8674	11731	7185	0	1746	5491	11357	2070	8855	0	4761	19283	Phytochemical	0.47619048	0.71428573	0.04761905
12	C18 H19 O12 N1	442.098	442.09863	-0.056918524	442.09796	31826	33500	31646	35412	59539	28354	8101	16603	69543	25548	48911	25258	108650	17401	21832	18371	28386	78822	83930	39145	86894	78053	37527	20062	3865	1590	9944	0	9659	9757	10489	10333	26629	9918	43226	10021	16532	17745	21475	32747	73622	36694	1222	0	0	34860	99540	369	11013	14274	34836	29990	36926	0	82336	72364	27017	13176	13960	25959	0	40434	140731	81686	30857	74163	33928	26344	0	5881	17483	13045	9482	11645	13490	9025	0	16788	22665	50109	24591	29784	7079	5744	75485	27565	20162	34002	30932	19416	3761	12196	25842	93487	47210	0	40874	45596	68621	64073	77331	35521	18886	14182	57713	19982	67743	0	4784	115013	Phytochemical	0.6666667	1.0555556	0.055555556
28	C18 H19 O12 N1	442.098	442.09854	-0.078789	442.09796	3838	3762	4826	4665	6799	6412	1223	0	6982	4758	3995	1872	14199	2549	0	0	0	10727	8531	6728	15819	5908	3982	1891	0	0	0	0	0	0	0	0	2512	1117	7826	0	2072	1437	0	3318	9737	0	0	0	0	6781	20257	0	0	0	5471	2503	4478	0	11917	6961	2429	0	1979	0	0	6387	10561	8124	1844	7184	3216	1465	7599	2052	4735	0	1485	0	0	0	0	2176	2057	3387	2121	7278	0	0	7752	2745	1531	2369	1975	0	0	1513	0	5890	5611	0	3248	3991	7522	3809	4757	0	1548	0	12775	1621	6060	0	0	15532	Phytochemical	0.6666667	1.0555556	0.055555556
22	C18 H19 O12 N1	442.098	442.09863	-0.003032617	442.098	3793	6305	4469	5252	9770	9395	0	2667	11013	3256	5165	2821	14933	0	2925	2130	2417	18628	7688	5356	9554	8947	5016	1638	1947	0	0	0	0	2127	1134	0	1789	1595	6500	1255	0	0	2087	3911	9226	6563	0	0	378	9295	24979	0	0	1171	3581	3636	5064	0	17892	10936	3498	0	1806	3350	2557	8543	17400	11939	5016	10824	3917	0	7109	2229	0	0	1058	1440	1941	0	393	2281	0	7177	2355	10314	0	1738	16392	6382	2424	4172	2927	2646	2743	0	3605	9406	6095	0	7503	6172	13337	5840	9662	1737	4487	2449	18885	1875	9951	0	0	17897	Phytochemical	0.6666667	1.0555556	0.055555556
8	C18 H19 O12 N1	442.098	442.0987	-0.048711464	442.098	9541	10172	10504	10027	17615	7358	3037	4797	27707	10737	12004	6636	33448	4779	5187	6507	8532	24357	23611	12597	24516	20762	9113	5605	1017	0	1787	1715	3920	3382	3687	4607	7592	2897	16416	2890	4535	4659	7856	6711	22483	13425	0	0	0	7626	19789	0	3304	4409	10163	9711	10244	0	26105	27452	11938	4310	3489	10486	3721	8291	44801	32135	12635	23970	9975	9377	5591	0	3734	5083	4819	3467	6701	2251	0	4276	8743	5480	5167	5323	1476	1599	28399	6900	4034	13589	11144	9135	0	0	8783	20391	14900	0	11894	14214	26984	28142	32052	12133	5488	5965	0	8318	26214	0	1749	41072	Phytochemical	0.6666667	1.0555556	0.055555556
10	C18 H19 O12 N1	442.098	442.09863	-0.057867322	442.09796	22750	25978	18396	22735	45418	19684	7127	11978	53835	23792	35787	18575	80347	15324	10462	11056	15652	51845	51218	28241	59192	44794	21796	13352	1909	0	5665	3583	7788	9842	9247	7908	19728	8139	35538	7764	15944	10572	15838	21060	47653	22731	942	0	0	22776	63798	0	6927	12519	27174	24395	26271	0	58148	51240	17909	10063	9807	19236	10910	22245	82390	57526	25384	48628	22693	19325	18175	3357	12175	10202	6323	8381	11224	7897	0	9652	15235	26865	12167	19417	4000	3852	61571	20344	10910	24678	22813	16749	0	10880	19459	63371	37367	0	27053	26548	41874	49900	61697	19760	12960	12420	30891	15670	44003	0	5580	81177	Phytochemical	0.6666667	1.0555556	0.055555556
20	C18 H19 O12 N1	442.098	442.09863	0.012888461	442.098	9791	9694	9020	5985	25755	13940	3110	2188	19979	3629	5579	6765	37567	9356	6041	2697	3992	31756	20925	4434	12667	15272	10207	4868	0	1741	0	2403	1912	2269	2576	2134	2913	3395	5927	1980	5240	6793	2891	6606	14566	11687	1028	0	265	14740	41678	967	2497	0	9582	6525	11773	318	27779	24056	7537	4078	3691	6716	3283	10252	31365	27847	7545	20629	10679	1547	5882	0	8047	3433	2446	2200	2675	1471	482	5864	5421	12031	4873	16341	0	0	30341	8372	4339	8435	8167	2646	2770	3539	8136	16218	13496	0	9915	12233	21797	15634	19563	4797	6274	4193	27341	4750	23753	0	2059	33043	Phytochemical	0.6666667	1.0555556	0.055555556
24	C18 H19 O12 N1	442.098	442.0985	-0.060019508	442.09796	2500	2442	4104	2575	6926	4734	0	0	10150	2891	2251	2257	16208	2738	1717	0	1377	10199	11339	2141	9117	2978	3366	0	0	0	0	0	0	0	0	0	1486	954	2060	0	1283	1028	0	2036	6240	3625	0	0	0	6458	22122	0	0	0	4912	2012	3162	0	10735	7935	4332	0	1550	1610	0	5057	8886	9276	3763	4262	2101	0	3898	0	0	1405	0	0	1346	0	0	3279	1180	4344	2549	7458	0	0	9195	4711	1430	1316	2168	0	2215	0	2229	6601	4042	0	3366	2765	6724	5337	6109	1733	1094	0	17422	1356	9277	0	944	15182	Phytochemical	0.6666667	1.0555556	0.055555556
14	C18 H19 O12 N1	442.098	442.0986	-0.058587253	442.09796	32469	36028	38714	34299	66807	39312	8433	19403	75279	29213	40663	24861	140342	30650	25251	19396	28506	96354	88360	29863	83308	91593	35140	21365	4957	2571	11569	8651	14231	11913	11370	13281	28717	12262	47004	13103	17634	19168	15700	24956	63445	46042	0	0	324	38743	116420	480	13595	17815	36652	31676	41073	0	102003	85165	30853	13900	21820	28807	0	52687	133770	102591	35645	82349	40074	15463	27297	7169	17776	9640	8887	13398	18819	9664	0	16553	27349	62160	25339	39493	5728	3746	94145	35033	20116	42038	34879	21439	5074	17159	33807	103861	42982	0	31652	51752	70326	66474	87478	40959	22428	17349	98036	29231	71189	0	5781	110903	Phytochemical	0.6666667	1.0555556	0.055555556
20	C22 H19 O9 N1	442.11325	442.11374	-0.12604854	442.1132	22169	28294	22934	18858	21239	17129	4326	5677	27252	102336	56926	5338	29462	9815	7078	9519	6031	29828	30519	44731	69829	70629	6016	12754	5800	52346	3038	35743	3044	3957	5492	2839	11168	3100	104866	2086	9813	4639	3012	51408	54799	11333	769	0	0	52362	70353	705	3630	3553	32140	22946	13471	235	33864	22407	13101	9197	8726	9266	6892	47638	42443	25942	12020	30865	13783	4603	61956	66220	76246	3917	2196	1386	3029	2862	0	6221	17595	69618	11953	37805	7172	43412	27470	13710	13291	11921	11553	17663	17815	26726	15542	81535	81821	0	22041	18996	20623	23780	19385	8338	4816	10088	32917	7866	20383	0	7733	38358	Phytochemical	0.4090909	0.8636364	0.045454547
8	C22 H19 O9 N1	442.11325	442.11395	-0.08074379	442.11322	2426	1944	1871	2725	4519	741	1031	1233	5981	17664	10202	1127	6904	2275	1588	0	0	4100	4783	9206	10909	8413	1766	1017	0	6359	0	3433	0	758	1093	1320	0	1330	24741	0	1513	712	0	7040	10709	1446	0	0	0	5777	9501	0	1162	922	4848	4262	2327	0	3700	4179	1838	1604	0	1355	0	3361	8003	4083	0	4607	1674	1175	11533	12338	17264	0	0	0	1336	0	0	0	3451	7595	3296	2794	908	3272	2560	0	1244	1044	1087	1719	0	0	0	9730	12740	0	3363	2632	4675	4765	5167	1461	628	0	0	1363	2734	0	872	6361	Phytochemical	0.4090909	0.8636364	0.045454547
26	C22 H19 O9 N1	442.11325	442.1137	-0.24001351	442.11316	5057	4554	5068	3650	2457	2861	0	0	3463	22764	5507	0	0	0	0	0	0	8940	5043	6627	10513	15926	0	0	0	0	0	3725	0	0	0	0	0	0	16829	0	1722	0	0	10515	10388	0	0	0	0	7052	16034	0	0	0	5548	3760	3909	0	4552	0	0	0	0	0	0	8235	7589	7379	0	4486	0	0	9421	9773	12466	0	0	0	0	0	0	0	3663	11508	0	8143	0	5434	0	0	2015	2945	0	3635	2667	2252	0	18372	26960	0	2260	0	0	4600	5845	0	0	0	6207	1437	0	0	0	8818	Phytochemical	0.4090909	0.8636364	0.045454547
16	C22 H19 O9 N1	442.11325	442.11383	-0.049982667	442.11325	28630	32042	23164	23191	23065	12147	5502	7608	29763	136667	69256	6815	38030	11607	5857	12171	5779	26137	31836	71686	94314	72891	11472	11002	6777	66324	5557	45539	5270	4136	3879	3769	13934	5022	149804	3517	12823	6354	4722	63826	69704	7811	564	0	0	46720	63548	0	6526	4396	31431	33007	21786	0	31228	23340	12173	15106	10792	8997	10078	41999	51932	25521	11605	27489	12985	12900	72749	101972	122116	5612	2090	1711	4564	3520	0	3671	19737	54714	11621	41043	11121	50096	31027	12586	20047	12593	13152	0	16590	29452	0	78161	98023	0	29574	34835	20877	30025	24230	7604	4706	11760	31476	0	19223	0	8134	43632	Phytochemical	0.4090909	0.8636364	0.045454547
22	C22 H19 O9 N1	442.11325	442.11374	-0.18390346	442.1132	19141	15770	13645	10865	14343	8372	1711	3382	18756	59239	30840	1890	19290	7864	3546	6760	2418	21229	13759	23404	39604	37692	4724	6382	4636	27806	3052	18138	2782	2296	3375	0	6538	3974	57389	2883	7552	3367	3578	30668	37722	4226	0	0	357	28495	37323	0	2481	1614	9711	12176	11875	294	19821	11734	7375	4334	3535	6711	5567	24796	32170	14276	6333	16938	11114	4738	27676	32031	40893	1416	1871	1045	1905	2115	0	2716	11639	35113	8203	26064	4095	20464	16908	7132	11999	7511	7982	8637	10000	12661	9583	53237	57866	0	15167	15843	12049	19531	9206	5864	2615	5253	23026	4513	11774	0	8024	19971	Phytochemical	0.4090909	0.8636364	0.045454547
24	C22 H19 O9 N1	442.11325	442.11368	-0.15325987	442.1132	6819	7008	8110	6508	6850	5245	2253	1884	7951	28367	15574	0	8712	1910	1748	2652	1591	9365	11340	11592	20307	22024	6533	3533	2628	11023	0	5856	0	1467	2620	0	1358	1553	29911	1280	4200	3346	1125	14315	18378	4220	0	0	0	18436	23886	0	2198	1241	7707	7230	6211	0	8272	6306	3632	3410	2814	1424	1767	12124	9773	9524	3267	8959	3197	1489	15405	17269	22564	766	0	0	0	0	0	1739	5459	14764	4194	14334	1935	9234	8925	3905	3575	3330	3020	3014	3517	5333	5013	34699	39941	0	7461	7985	4163	5828	6456	1485	1971	2048	13233	1408	6562	0	2663	8977	Phytochemical	0.4090909	0.8636364	0.045454547
12	C22 H19 O9 N1	442.11325	442.1139	-0.06526854	442.11322	6913	11129	10113	8223	13091	6555	5091	2048	19441	55673	32437	1619	17939	5566	3522	3358	4208	11537	15716	33916	46699	31750	7339	3863	1950	33075	1672	19912	2247	1031	2501	2413	6718	0	69813	1946	2666	5054	5589	32433	35029	3731	0	0	0	22736	30887	0	1968	1796	11402	11559	6073	0	21217	12533	6318	7114	0	0	0	28346	19882	14181	4845	17180	7150	6391	33739	59093	74159	1678	1624	1290	1438	1185	0	2896	8318	19653	5572	18644	3069	16912	10697	6371	5971	4008	4774	10845	7769	8142	6094	42470	29786	0	9956	11833	12642	14814	13444	3385	1676	3631	26527	4079	12715	0	4365	20719	Phytochemical	0.4090909	0.8636364	0.045454547
14	C22 H19 O9 N1	442.11325	442.11383	-0.09138484	442.11322	20488	15010	17811	23455	19028	12808	5110	2128	18744	98387	46460	3951	32812	9509	5602	6983	5334	24142	16969	53302	75113	58887	5631	7387	7353	51848	5929	38555	3560	4847	2591	0	7692	2768	124535	3808	6775	4930	5629	47633	57215	5986	0	0	0	34343	40760	0	4463	2312	20727	18844	15106	0	21742	13117	8591	8762	10048	7982	0	39821	34890	22118	6662	20909	10469	7056	67989	90180	102785	4073	2651	0	3112	1359	0	3813	12214	43861	8355	28129	7293	24724	24127	8770	13968	8023	7858	17678	12224	19294	14700	55354	59532	0	25258	21572	15645	16867	18836	9388	2772	5164	35380	7548	12424	0	6085	25480	Phytochemical	0.4090909	0.8636364	0.045454547
10	C22 H19 O9 N1	442.11325	442.1139	-0.049950127	442.11325	9656	9125	6837	6354	9186	3309	1213	1214	12353	34507	19643	1074	13305	2734	2486	0	1983	6289	8286	21258	27855	22756	2506	2908	1207	19595	0	12107	0	0	1183	0	0	1452	46081	1311	1255	1924	1312	10683	24308	2791	0	0	0	11000	23073	0	1422	1369	8291	8573	4639	0	8173	8403	3527	2844	0	2323	0	8089	12248	8712	2396	10743	3173	1791	34264	27791	41790	1315	1058	0	1365	1053	0	0	5546	9316	3798	8738	1439	5817	9168	4269	3949	3642	2242	4519	0	3000	4009	21445	18827	0	6318	5831	8373	8727	9145	2564	1424	0	0	1803	7757	0	2093	9819	Phytochemical	0.4090909	0.8636364	0.045454547
28	C22 H19 O9 N1	442.11325	442.11368	-0.16956323	442.1132	3792	3490	2547	2987	3585	2006	802	0	3142	16836	5750	0	3191	1224	0	2145	0	3876	6152	4267	7207	9635	2862	2536	0	5454	0	2849	0	0	1005	0	1859	0	13034	0	1715	0	0	6675	7721	0	0	0	0	5038	8468	0	1087	0	3601	2454	2602	0	3958	0	0	1362	1174	1901	0	4516	5139	3465	1408	2331	1745	1303	5535	6373	11123	0	0	0	0	0	0	0	3222	8570	1570	4885	1673	3173	3132	2403	2671	1929	2789	2378	3500	4988	2353	13968	20124	0	4899	2952	1855	1238	1866	1836	0	0	2561	1865	1706	0	1043	5307	Phytochemical	0.4090909	0.8636364	0.045454547
8	C19 H23 O11 N1	442.1344	442.13504	-0.098345384	442.13434	64238	69606	50053	61797	40640	32198	26076	64678	60406	100464	82591	52134	88669	21075	39945	66037	61619	74066	80256	111458	137449	84197	56770	61404	17120	24692	29967	32090	46903	49469	43069	48009	50871	44201	125750	46124	49773	34760	65468	78982	121565	44914	1338	0	0	81397	140882	0	51289	56636	62863	69953	37835	0	82567	58043	31178	40799	43690	68107	64120	68576	103978	71267	34699	52298	43508	69149	65552	39146	63014	47859	50628	55439	46432	49342	0	36778	47236	42511	36346	43955	30065	32897	71262	32276	36382	40160	43030	58327	20268	39475	76020	74805	88150	0	67584	75052	54283	52295	54717	63445	40436	68970	65896	51545	59526	0	25482	87479	Phytochemical	0.57894737	1.2105263	0.05263158
26	C19 H23 O11 N1	442.1344	442.13483	-0.17206344	442.1343	9757	7506	8050	8554	12552	9543	0	5986	11693	18574	5715	6443	14397	4860	0	4918	7081	20949	11421	19806	30616	8097	6880	8262	0	6489	0	4017	6278	0	4327	5177	4323	6462	16768	5363	6501	3498	5475	12023	22484	0	0	0	0	18505	41499	0	6657	0	9026	10289	6077	0	7858	0	3672	5595	4510	3753	0	13972	8105	7939	4751	6148	3962	3583	18411	18814	22558	7368	5888	0	6505	7028	0	6077	6158	0	6195	14739	4177	6402	12385	0	0	4813	3395	2624	2093	3868	6905	4775	7717	0	6384	11440	8351	5178	5999	8791	5439	0	15964	4475	6807	0	2305	15358	Phytochemical	0.57894737	1.2105263	0.05263158
28	C19 H23 O11 N1	442.1344	442.13483	-0.19518615	442.1343	12580	9833	9658	11060	10521	11234	3676	9905	9573	24663	10863	5136	17878	4278	8228	7820	6304	16104	12076	31983	38717	7100	6814	9153	2898	10783	2936	4539	6766	3668	6486	7282	7027	5731	23982	9975	6528	4609	5878	14848	18792	4950	1370	0	0	23549	37229	0	6968	8309	12972	11727	7779	0	11057	7390	4022	8040	4477	7916	6585	15635	8507	7969	4025	9080	6911	5168	24422	26191	30502	7880	6455	7444	8509	5988	0	5518	6867	5752	6742	17507	3977	8473	11803	4542	4798	4337	6714	3896	4560	4888	9304	6036	7509	0	11575	11894	9557	6181	5885	7508	3869	7976	22647	5415	8882	0	1747	15132	Phytochemical	0.57894737	1.2105263	0.05263158
14	C19 H23 O11 N1	442.1344	442.13498	-0.05674226	442.13437	250049	233201	220682	244338	215066	195889	127097	246275	291588	389348	250053	146414	422710	127275	219152	205606	183148	427502	358872	523782	609953	416737	242067	230872	113278	168967	102954	161235	208306	211569	170779	204837	234769	159104	569524	228412	210525	171300	141601	349115	311527	197884	10316	1301	832	460061	592250	702	171741	230631	238826	211292	193140	962	443476	237026	123029	191327	323561	172243	253602	373959	377398	319624	127041	251720	191290	121948	361546	245676	263964	187221	176877	229691	149607	162584	540	175326	161070	257977	156331	294683	116176	135464	274349	178605	132343	160801	187474	126352	118036	187633	255360	284840	311883	1896	218676	292238	223390	161374	218562	270477	176561	286308	540888	194554	245209	651	98573	344479	Phytochemical	0.57894737	1.2105263	0.05263158
24	C19 H23 O11 N1	442.1344	442.13486	-0.089358866	442.13434	12913	9626	13582	12502	13306	12651	1661	9223	10221	18343	6819	10620	25336	5134	10777	7875	5754	20567	11253	18657	33986	10657	10388	8104	2660	10171	5303	6046	7113	6420	7571	4377	4977	5937	16823	8297	7669	7549	6672	13173	15552	4991	0	0	0	28388	48725	0	7435	10714	12521	10367	9059	0	14256	13782	6824	7557	5416	9094	6624	16468	13800	16836	7728	9081	6118	3505	18083	14071	26750	9227	8071	10000	7696	4731	0	6560	5563	6102	10045	20609	3493	8412	17080	7405	3245	5558	6655	4383	6529	5890	8675	11278	12770	0	11912	14325	15706	8174	8543	7146	5009	7736	24902	7783	12786	0	2661	24156	Phytochemical	0.57894737	1.2105263	0.05263158
22	C19 H23 O11 N1	442.1344	442.13492	-0.09671351	442.13434	23962	21293	23655	20619	35103	27953	7549	23462	32921	32956	21334	24029	41760	12869	23135	15516	15806	42495	27409	43481	52494	22000	20424	20569	11164	18308	8417	10572	18954	19968	20332	14891	19730	21188	31830	15046	17683	14157	16056	29337	33929	14763	0	0	943	54635	87207	0	11817	25682	25804	21015	21462	1341	43485	27464	15943	12339	18033	15660	17227	27756	30206	28137	11881	27180	16884	12423	41693	32549	40169	21126	17817	22357	20735	18032	788	17561	17746	14684	16019	49381	10334	16938	41706	22166	14269	14710	18317	3993	7714	10522	15911	22675	22931	0	22433	32464	30566	20906	22056	19220	16074	23395	52411	19447	37861	0	9877	45689	Phytochemical	0.57894737	1.2105263	0.05263158
16	C19 H23 O11 N1	442.1344	442.13495	-0.08554281	442.13434	501171	429993	520321	444642	437366	345683	208041	200152	409665	945588	478080	243653	689598	167692	489978	341798	334315	653423	713387	830268	868695	749780	353223	421895	108284	421270	92944	300849	284106	254333	355342	294015	366454	121023	1041094	283125	360994	278927	412143	881147	883637	272229	9898	2026	1320	773562	793737	1449	379323	296007	494608	440198	327164	1701	724679	338016	262879	317547	289921	105742	185143	625268	449841	364656	223354	466451	340475	105972	647143	651654	726004	309136	214195	244238	139214	256939	1125	264283	414855	582808	376731	608221	219462	442675	408051	272934	298187	356273	310934	64896	292381	596640	201995	670739	833575	2670	546094	448459	333659	333025	327563	388590	164328	445130	607543	160110	357826	1855	95782	611224	Phytochemical	0.57894737	1.2105263	0.05263158
12	C19 H23 O11 N1	442.1344	442.135	-0.036443263	442.13437	191023	203227	212479	204964	172869	129200	132989	249112	236966	363629	261335	143715	295412	79247	176436	160760	184319	324995	327810	462822	560853	423605	231259	210204	92983	119681	104472	175006	188508	174330	175659	157342	223659	170620	545783	177488	184300	164226	162286	329416	363499	150837	7321	662	618	369696	495079	493	166922	221312	210761	199660	155012	857	370055	190096	119455	164796	256342	223692	207165	339628	354535	257668	104480	228981	155523	178311	297692	186546	254177	181986	171388	188017	133851	151684	349	155059	137989	251432	157969	249464	112236	136421	228762	136246	141708	121272	148599	155806	104330	191812	232744	319950	279552	1509	223052	281806	213318	136160	168658	222871	147501	237489	424495	172591	216061	361	106844	338570	Phytochemical	0.57894737	1.2105263	0.05263158
10	C19 H23 O11 N1	442.1344	442.13504	-0.03576703	442.13437	155192	136878	135439	131089	97258	76240	70014	148480	134612	251060	169688	97824	201348	53132	102879	135521	124313	187685	176419	258191	326256	221930	121679	148195	47239	67807	73212	78750	106568	107239	105962	107376	134711	100319	316329	118290	126070	86859	121151	191314	234511	91386	4982	0	363	194959	290110	0	101178	136651	139219	136780	93213	584	206072	116325	63686	109275	123490	134077	138052	164093	188047	150450	69868	114607	99181	121815	178072	95874	140079	114725	112254	108431	110363	100445	0	82457	110177	125889	97492	133220	67130	77539	145073	82387	82233	87737	86344	105599	59196	94158	149400	168274	207712	559	139045	169375	122559	92967	112204	141939	87952	162394	232826	111145	114556	0	58549	180136	Phytochemical	0.57894737	1.2105263	0.05263158
8	C18 H23 O10 N3	442.14563	442.1463	-0.11269213	442.14557	17127	18637	14046	20190	8177	10277	9093	19826	15384	10725	9221	19242	21056	3848	15722	28348	18579	17463	24086	12127	18995	29198	19259	21707	6928	770	9560	4401	16580	13117	17361	18269	21967	16022	19596	13436	22728	16450	22917	9809	21928	12633	0	0	0	15428	20257	0	17138	17049	17492	16253	11111	0	25159	8711	9502	16169	17925	17122	31176	15150	27254	23847	11869	21069	16272	27683	0	3536	4019	19927	16822	14118	11847	13041	0	11523	16177	6858	10743	6699	8409	4521	13122	8801	16053	17768	15939	32762	0	24220	40575	13539	9120	0	18022	18574	9497	10984	10344	23692	14106	20724	7866	23690	13377	0	10753	26198	Peptide	0.5555556	1.2777778	0.16666667
6	C18 H23 O10 N3	442.14563	442.14633	-0.14785342	442.14557	16583	14745	11776	12433	9119	6731	6400	11616	14350	10139	5819	10886	17670	3577	9110	15471	16222	15895	18448	9336	15760	24021	15237	18214	4688	0	6120	0	9554	12351	12169	12924	17688	13580	14669	11532	15033	9589	22315	7455	14404	10108	0	0	0	12116	21874	0	15384	13615	13594	15005	9671	0	17539	7935	9963	12486	7807	13334	16480	8361	25615	15960	7872	13091	11975	22832	0	2005	0	10597	10596	9913	7670	9624	0	8716	10222	0	7253	6138	5126	3736	10927	5243	8432	13229	13577	22600	6727	15790	33582	10986	9038	0	15344	15316	5748	9978	10145	19500	10734	12313	0	15847	8859	0	5919	24726	Peptide	0.5555556	1.2777778	0.16666667
10	C18 H23 O10 N3	442.14563	442.14624	-0.08671437	442.14557	15187	14137	14000	17814	8304	9335	10103	16596	10901	8081	7636	14182	19300	5368	19289	22197	20689	21831	17728	13322	13402	26626	18255	22977	9370	0	9151	0	16969	15208	15540	14788	26592	17230	12383	15505	21045	14552	15929	12823	14409	11929	0	0	0	13032	18935	0	16693	18355	16007	16693	10923	0	21248	7369	10775	19859	21498	13578	20851	11230	16319	18545	9423	15353	12024	18655	0	0	0	16580	15276	10542	10181	15009	0	10431	13547	0	8509	11067	7403	3818	13333	8989	17586	11268	13248	20188	7643	17919	38438	6855	11457	0	16733	14132	6849	6791	5335	23759	14222	18175	0	25312	6171	0	9465	25097	Peptide	0.5555556	1.2777778	0.16666667
12	C18 H23 O10 N3	442.14563	442.14627	-0.07831644	442.1456	13443	6677	12474	9613	4172	6797	5508	11618	8831	0	0	9202	7434	2220	11369	8529	12311	9327	15236	5549	4871	16544	13852	13603	8406	0	5673	0	12382	11869	14487	7427	14756	9680	9976	9682	15977	10240	12756	5742	6442	8309	396	0	0	9607	7119	0	9051	9147	11388	7020	6743	0	11884	3697	5693	14573	10719	12370	0	8681	11976	7745	4892	8618	8832	11462	0	2886	0	8989	9149	9885	6437	7664	0	11281	8780	0	8691	7368	6847	3309	0	5245	9718	6784	7166	22251	9304	11925	28439	6020	1952	0	6896	14980	3896	2993	4482	12956	10328	10118	0	15993	3942	0	8474	11806	Peptide	0.5555556	1.2777778	0.16666667
8	C23 H23 O8 N1	442.14966	442.1503	-0.11719376	442.1496	8193	7576	6705	6740	5379	4163	1972	3273	6631	33840	20018	1771	8204	3401	2556	2399	2917	5238	5917	23740	22946	13107	4061	5158	1945	20753	2359	10190	1925	1210	1758	3169	4548	2969	41836	2104	2900	2852	2793	17617	19004	2877	0	0	0	12844	14344	0	2171	1721	8709	7376	3378	0	5012	4972	2552	2158	0	3595	0	8567	6774	6689	0	5280	3522	1970	26203	36457	51633	3329	2581	1670	2109	2620	0	2283	4991	12371	3402	7619	2085	14135	4595	0	3882	2546	2316	7248	0	0	7074	15157	21726	0	6602	5358	7266	5535	5050	3705	2702	2425	0	2024	3643	0	2804	4980	Phytochemical	0.3478261	1.0	0.04347826
10	C23 H23 O8 N1	442.14966	442.15027	-0.056506645	442.14963	14499	11683	14068	12570	10033	6794	3996	5144	11658	66960	35666	3197	12088	7358	4625	2698	3527	7774	7784	46130	52670	29379	7317	7803	3833	47327	5118	23146	3816	4366	5605	5303	6569	3955	77538	3666	4918	4003	8029	29598	33334	5640	0	0	0	24550	28523	0	6774	4309	12801	12558	7224	0	10585	8129	3639	10908	2477	6373	0	19955	14168	8775	3018	11168	5939	5150	47793	70358	68788	5597	2015	1929	4634	4007	0	3016	10708	13919	5862	11697	4025	17740	11094	4571	10471	4257	4248	11176	16083	9586	11960	24693	35352	0	12894	18420	9258	10859	8824	4656	3479	9735	0	4425	7828	0	6423	12691	Phytochemical	0.3478261	1.0	0.04347826
18	C23 H23 O8 N1	442.14966	442.15015	-0.12904315	442.1496	54850	51672	41513	48035	33495	30407	12859	18450	31150	198726	118512	13359	52387	28805	17488	22053	16441	44442	47095	137392	145471	83702	19225	29726	15947	147845	13942	91750	12097	16443	17573	13111	27657	17849	194485	15212	26228	14210	20709	126250	107359	20611	1322	0	0	63934	68335	0	22161	8269	54224	47529	33838	0	30186	26247	21455	29017	17901	19058	26798	79127	47623	32751	16372	47706	32801	21080	133939	206073	201191	15055	13538	9021	15772	13834	0	10416	21813	61316	23044	53753	17276	73803	37767	23325	32004	18421	23815	28466	44333	48855	47836	79158	119377	0	46704	49732	35397	30490	28105	20637	9528	29691	44881	26131	27774	0	22203	41593	Phytochemical	0.3478261	1.0	0.04347826
14	C23 H23 O8 N1	442.14966	442.1502	-0.11503968	442.1496	23598	31965	28325	25912	16272	15956	7573	12877	20903	107273	54826	7860	26207	11485	8250	16724	10116	25425	22886	84382	103241	56831	14690	15325	12791	103280	12172	54825	8994	8199	9214	8368	15176	11432	114501	6482	16249	8910	13277	71638	74953	11861	0	0	0	42338	51994	0	13809	10191	28390	26967	9824	0	19533	12173	7327	12443	10053	17410	23064	46039	25396	15291	11419	19431	14520	14915	109788	146851	141893	11383	6463	6347	6250	10906	0	8095	20217	43351	14382	25904	12537	43194	20257	9053	16667	11643	12613	28515	24432	24704	29784	43329	56740	0	26663	24762	21329	17640	15072	13007	7660	18290	20134	15350	14723	0	11705	17744	Phytochemical	0.3478261	1.0	0.04347826
24	C23 H23 O8 N1	442.14966	442.1501	-0.16308074	442.14957	7645	11149	7572	7239	10118	5487	2412	3161	11066	48235	25179	2872	12453	2684	4151	2174	3567	8320	9480	18517	26846	22366	3351	5652	3638	27212	1564	19463	1680	2449	1617	2749	6015	3701	42388	1798	4333	3055	3121	29155	25211	4466	0	0	0	20215	27419	0	2263	2577	10250	9137	6123	0	7855	8117	4717	5151	3620	4476	5040	21433	8844	8002	3712	7470	5877	3448	34312	31181	46913	2956	1388	0	2001	2660	0	3376	5541	17866	5420	16002	3905	14498	10338	3885	6015	6788	5283	6040	10253	8844	11303	29367	24225	0	11880	10354	6601	5245	6306	4389	2073	6373	13317	4667	7178	0	2998	13288	Phytochemical	0.3478261	1.0	0.04347826
26	C23 H23 O8 N1	442.14966	442.15012	-0.19960694	442.14957	5245	3087	3304	3927	3111	2829	0	0	4167	18154	11261	0	7047	0	0	0	0	0	4788	8008	14314	9515	0	0	0	5725	0	7632	0	0	0	0	2556	0	14662	0	2469	0	0	8772	11364	0	0	0	0	8691	12777	0	0	0	4930	5596	2965	0	6521	0	0	1724	0	0	0	6724	6672	3457	0	4977	0	2619	12331	17035	23639	0	0	0	0	0	0	0	2793	7300	0	5815	0	8222	0	0	3366	0	0	2577	0	4774	4728	11125	11844	0	3369	5281	3752	2764	0	0	0	0	0	2504	0	0	0	4985	Phytochemical	0.3478261	1.0	0.04347826
22	C23 H23 O8 N1	442.14966	442.15012	-0.13633305	442.1496	24680	29506	18015	28705	21909	14530	6139	9072	22037	79423	61999	5034	20657	12625	6429	10481	11733	27656	24234	62820	75070	50826	7664	12197	11473	75732	5075	62250	7590	5527	9347	5669	10526	7522	92289	4549	16821	7731	10233	57126	58511	12898	0	0	0	48726	49775	0	6031	6314	20441	26371	17760	0	19509	16977	11253	12540	9118	10282	11931	39742	26051	20299	8705	25565	14529	9256	82800	99118	109986	9139	3943	2784	5311	6180	0	6705	13613	40853	15951	33271	7804	39507	20570	13819	14835	12292	13296	14213	16710	20522	18258	47160	59714	0	23390	21783	15965	17293	19864	14586	4991	12554	34865	12650	15897	0	10206	25471	Phytochemical	0.3478261	1.0	0.04347826
12	C23 H23 O8 N1	442.14966	442.15024	-0.107364684	442.1496	15161	16120	19171	17668	13965	9345	4078	7256	12543	64805	49951	6069	13343	9797	5731	9207	7149	15660	15872	67020	72069	33965	9652	11021	7430	69721	4558	35790	8148	5138	6709	6086	11625	2303	103959	3586	11641	8140	9389	49293	51778	5692	307	0	0	39373	42422	0	5501	4955	18393	12410	11201	0	10482	9881	6653	11650	5042	10580	0	30444	21816	8904	4256	14765	6368	8015	75671	103159	117381	6064	4780	4457	5860	7654	0	6724	13782	21505	9121	21968	6113	30976	15994	7034	10918	7114	7577	18725	13872	15382	13790	39188	37986	0	19557	19079	13169	8963	8293	8855	4350	7934	0	10880	8040	0	6298	16864	Phytochemical	0.3478261	1.0	0.04347826
14	C16 H27 O13 N1	442.15552	442.15634	-0.21392432	442.15543	11527	0	0	0	217810	20215	0	0	25139	0	0	0	75610	812775	0	0	0	13810	24171	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16694	0	0	0	0	0	0	0	0	0	0	119946	0	12547	132488	24569	0	0	0	0	0	0	9015	38100	26894	33312	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28978	16845	0	0	0	0	0	0	0	0	0	0	7811	10479	14951	17675	17085	0	0	0	0	0	226901	0	0	0	Unclassified	0.8125	1.6875	0.0625
2	C17 H23 O9 N5	442.15686	442.1578	0.092605814	442.1569	0	5044	2938	2990	2428	0	1732	3314	1854	0	0	0	3870	0	2116	0	5510	4234	3878	1134	988	4120	3858	4042	944	0	0	0	8652	2592	4632	6552	6470	19650	1616	4870	6572	1314	3586	1000	0	0	0	0	0	0	304	0	4320	1880	0	0	3048	0	0	1252	1402	4576	606	1412	0	0	4174	2452	0	4864	5948	7758	0	0	0	21836	16326	3586	0	3230	0	1930	2246	0	1800	0	0	0	1576	1360	3134	8394	4376	9360	9750	3214	12510	0	0	0	3842	3566	0	1536	1746	4258	2326	770	0	7900	1190	0	2288	6532	Peptide	0.5294118	1.3529412	0.29411766
18	C20 H27 O10 N1	442.17078	442.1713	-0.07467977	442.17075	473581	445903	445990	443010	360863	331502	239302	667966	405566	818517	381257	285755	657218	206322	453203	438241	277657	688703	657757	1151544	979221	449412	477374	571724	343806	700452	217615	276316	569991	512292	448194	449977	451129	483634	814200	577636	458605	303213	230707	660091	397931	325721	17819	2606	2038	739337	591605	1757	429484	537486	464444	446967	310325	2976	643200	350288	213627	368196	400802	250353	491670	478403	482625	400868	190277	370130	307873	241522	689367	898146	642579	519797	419918	577453	343166	491298	1254	368293	329019	244583	319168	400971	274100	361888	426248	298507	256134	241841	284453	188558	306283	429799	554283	239053	449253	5220	447413	540266	343063	233989	280832	480642	288448	576771	410380	362882	349550	2541	266407	526491	Lipid	0.5	1.35	0.05
6	C20 H27 O10 N1	442.17078	442.17148	-0.15194684	442.17072	53504	58122	27881	29825	14113	20754	15757	61242	22997	43501	24093	34610	30450	8099	42926	68616	23438	26819	28990	47073	101098	44341	44404	40502	10643	14753	14152	12386	31116	27972	57198	55340	62768	48110	103426	67954	65718	38270	26841	30868	37525	19675	0	0	0	33120	40432	0	26794	30206	27251	30557	15983	0	28306	20169	12423	28607	23559	25668	81724	22846	28103	21017	10163	23144	38518	58894	25762	18834	25288	29028	49406	51412	11734	23036	0	17355	20122	17306	31110	18411	16215	13218	20678	13436	18717	14537	18457	52970	14602	44238	40420	23095	32731	0	58458	64180	13564	15311	20229	63612	33754	37143	26784	29113	18128	0	14251	60188	Lipid	0.5	1.35	0.05
24	C20 H27 O10 N1	442.17078	442.17123	-0.17656043	442.1707	52730	42432	55592	54468	49812	46318	19116	65142	57909	107518	34746	40760	82680	23586	43858	46602	33488	79620	63990	111864	122816	30244	50206	66074	26404	85142	13344	29648	47980	46618	36948	44608	40128	46562	84814	54810	41956	32732	35036	70716	64048	27898	0	0	0	73562	111780	0	48104	52182	47630	47332	41484	0	71810	53546	20816	46956	32802	29492	55732	51988	62304	55586	20306	50294	28348	32912	94288	133242	122475	60342	53682	56760	40872	45554	0	43854	40562	20596	40728	53370	30786	47022	74416	34796	39370	28452	27070	17600	24100	31406	44026	25432	41886	0	51102	55176	35860	46698	48700	40980	27376	53422	54410	42270	45588	0	29598	78164	Lipid	0.5	1.35	0.05
10	C20 H27 O10 N1	442.17078	442.1714	-0.11634635	442.17072	343834	309992	294836	290242	165494	168834	214174	932480	219168	488618	277066	250822	287402	104682	606339	357154	272916	316950	332198	640824	631502	778474	641198	443030	216918	409822	201910	182892	722184	362456	310488	731244	698690	603868	594180	739548	688794	472762	253320	412658	351510	208760	8602	888	674	492884	434638	0	645138	405372	319122	316196	161454	2082	337426	192344	131877	628136	363606	279926	442726	294206	242684	232298	111448	213398	173632	275876	421498	401786	367890	735644	325446	398746	252253	312410	0	496814	253424	223788	242112	261782	255302	224598	251338	165562	202584	161142	180184	500952	213610	316484	856636	235056	368380	2066	329082	388278	174116	152368	192770	769812	232092	487654	369582	570588	214428	1056	202340	280900	Lipid	0.5	1.35	0.05
4	C20 H27 O10 N1	442.17078	442.17157	-0.13652427	442.17072	7673	7853	6559	6463	5473	5934	3055	7300	7186	9833	6800	4390	10395	2747	4995	5999	6692	6794	7129	9093	12127	16004	5975	7055	2310	2952	2956	0	5562	7367	6049	5539	8568	5314	9969	5975	7247	4702	8555	7913	8923	4531	0	0	0	6689	10096	0	6580	6439	8278	6744	4214	268	9779	6094	3376	7279	5685	7434	6864	5963	20702	14102	3671	6299	5029	8935	4801	4474	5259	5414	6210	8951	1935	5429	0	4275	4710	0	4283	4468	3794	3242	7958	4499	3757	4188	4988	8553	3794	6132	8106	6135	7085	0	6868	7582	4586	6730	8162	7476	4141	9185	4658	6078	5403	0	2282	11183	Lipid	0.5	1.35	0.05
16	C20 H27 O10 N1	442.17078	442.17133	-0.057514522	442.17075	642985	606913	623018	663263	492122	445751	368093	890264	566911	1189087	538085	431608	794274	264879	705060	676881	429791	958342	975433	1664187	1457032	681091	735902	881415	552854	1029284	314969	420123	803310	771046	696806	698830	656856	610513	1328216	819687	656540	478041	374238	1012189	572654	456310	19955	3834	2593	1081347	899882	2542	685141	831553	655088	632245	469505	3900	885673	481857	294703	553041	701322	379892	825878	680527	636521	538733	247740	488675	432694	317265	995547	1326042	906765	808237	710775	917382	489476	644714	1332	506173	450834	389117	429424	616556	477278	549603	607329	378941	369848	343839	425068	348928	457478	626885	871599	365623	728172	7370	638193	833199	433860	297309	402802	776003	418265	852387	610181	600837	497698	3206	414321	714281	Lipid	0.5	1.35	0.05
28	C20 H27 O10 N1	442.17078	442.17123	-0.19530351	442.1707	11129	10706	11314	10648	8455	9121	3575	11783	7758	30310	10461	5872	15495	5875	9344	10279	6098	11711	14252	35578	30204	8248	11365	15320	4996	26679	4182	10152	12188	6758	8215	8462	8601	8786	24583	11175	8156	6246	6431	16791	15903	5080	0	1140	0	17127	20991	0	9829	12638	11642	9500	6562	0	11770	9406	4686	9370	5854	5616	10304	11824	9433	7829	3034	8736	6338	5506	22990	39502	35069	10134	8602	11112	9769	7369	0	7342	7888	5107	6949	10078	6333	11064	8417	6484	7388	4945	4939	3943	7779	8302	10471	3976	9016	0	10782	13062	7637	6281	9436	10724	6177	9317	12777	7051	6101	0	5337	12087	Lipid	0.5	1.35	0.05
26	C20 H27 O10 N1	442.17078	442.17123	-0.18094625	442.1707	13006	14878	12952	12542	9351	10608	2197	15064	13038	30167	9032	6013	21655	3838	7444	7170	6408	17849	16523	38420	43423	10149	6994	13360	9884	21880	2578	6489	10620	10448	8509	9785	11550	9961	24003	9383	11404	7350	9785	18779	17989	6866	0	0	0	21073	25176	0	13081	13166	16998	13049	7801	0	11846	7591	5722	9493	9737	6563	10692	14084	16246	11277	3783	12497	6832	6304	22949	41307	33498	13164	12255	12050	11123	9294	0	11052	7849	0	8478	10174	7187	10264	14398	0	7117	6055	5545	6061	7451	5840	12606	3710	9236	0	12857	15688	9723	7631	9688	7268	7025	8254	8719	9206	7969	0	5298	18984	Lipid	0.5	1.35	0.05
14	C20 H27 O10 N1	442.17078	442.17136	-0.08804223	442.17075	527989	489603	495854	522102	352389	360188	346704	822313	475259	925591	499221	372864	636188	232684	588702	630116	437888	722670	699606	1395993	1307803	634284	673906	808310	507474	937212	287259	448628	698170	699764	495320	594248	635218	489159	1156815	695499	536491	426938	357283	795083	539738	416384	18574	2531	1081	911932	767288	1429	517815	709724	491168	474373	332143	2769	743188	378190	236367	531697	752135	402032	772120	639528	507012	491988	232821	389079	349432	316495	953191	1055660	774916	589399	547967	802429	430410	537180	945	488525	393402	400935	427378	521369	385979	432750	495939	356848	350271	301221	361492	311686	386204	466122	680189	357041	552555	6212	515252	699960	374275	264548	363170	634787	389795	849358	743468	430668	380125	1256	324758	478735	Lipid	0.5	1.35	0.05
12	C20 H27 O10 N1	442.17078	442.1714	-0.101588465	442.17072	268180	265977	267038	262715	189041	169354	251852	523665	228593	456749	278763	232967	270812	101877	325867	299825	312382	356635	414577	701734	710536	373750	391073	411378	253494	468862	147065	237871	410708	333692	322696	281707	364836	280614	652614	356893	286208	271880	248921	426050	366327	207038	10197	1292	698	509508	453402	1034	283974	392914	274111	260313	192031	1509	395218	213035	137591	292315	429500	305987	363927	355612	287814	238010	119313	231186	184819	251510	549559	552515	478551	311823	298052	405984	220167	280135	403	276579	239418	262816	250936	295288	257082	246038	247188	171790	214389	135164	194585	268429	192626	288111	389696	247291	260785	3370	286423	398290	226054	143918	186817	330536	232794	383402	463173	255211	213867	493	215263	281036	Lipid	0.5	1.35	0.05
12	C19 H27 O9 N3	442.182	442.18256	-0.15822172	442.18195	17028	14149	14002	13286	4333	7683	15174	23807	7497	7315	4540	10469	11075	2726	23858	16133	10030	13314	16989	11127	10134	21583	21584	20490	21985	0	5719	0	26820	17187	20479	20141	25598	13953	16832	14892	19229	22749	12989	8080	0	8306	0	0	0	17364	5466	0	15385	16495	13060	16276	8022	0	17070	4669	7517	17141	26995	11931	19824	8596	11118	7873	5984	11545	8878	16953	0	3569	0	18538	13241	18941	9722	14850	0	17024	14036	0	12499	9262	12246	4775	4208	7209	16601	7904	11458	22304	27358	31966	45052	3925	7212	0	11943	15411	3467	2819	3255	19236	13776	16815	0	23368	4219	0	12427	9997	Peptide	0.47368422	1.4210526	0.15789473
14	C19 H27 O9 N3	442.182	442.18237	-0.13435702	442.18195	6834	6772	8650	5311	2394	4676	5777	14559	4740	4827	0	3801	5042	0	11352	15535	6872	7815	7419	0	0	14448	8425	11325	10638	0	6475	0	15081	8092	8262	10418	17473	6725	5297	10455	13949	9080	8916	4947	0	5697	0	0	0	6481	0	0	8477	6604	10049	9992	4704	0	6105	2527	4292	14007	15259	0	0	0	6702	3414	4176	4026	4339	5945	0	4379	0	9202	8201	8434	6774	11585	0	9647	6117	0	6233	3221	7391	3864	1939	0	6997	4212	4696	9908	15340	19481	26857	0	5676	0	7936	9394	3009	3507	0	15442	5339	10456	0	10711	0	0	6750	7506	Peptide	0.47368422	1.4210526	0.15789473
6	C19 H27 O9 N3	442.182	442.18268	-0.15277752	442.18195	25161	28029	18528	19997	10803	12428	12532	28500	13641	15952	6817	14593	17537	4442	21498	26201	17108	20088	25311	20656	18509	31641	21968	32279	14692	689	9745	6677	24502	20083	24770	24171	32294	19751	24235	21820	33229	19308	22517	16511	15321	12486	0	0	0	19827	14558	0	27343	22265	18688	23636	13014	0	26766	7131	8409	29179	24489	12376	30566	12782	22192	17434	8323	17639	18280	27307	2328	4783	3901	22693	18581	16230	9479	18597	0	15229	15470	5109	11848	10141	10956	6578	11616	9121	17958	12184	16575	35214	25705	40926	54250	11735	14514	0	20142	20165	6427	8353	9506	29330	15233	23693	7790	29184	9884	0	14580	23419	Peptide	0.47368422	1.4210526	0.15789473
4	C19 H27 O9 N3	442.182	442.1828	-0.113318995	442.18195	7590	8907	9364	8433	3870	5753	4657	11049	8113	3738	2798	4671	10316	2508	8595	11152	10384	8728	10874	7828	6222	13375	9305	10643	5344	477	5663	0	7450	7223	9018	8367	11034	6916	9295	7716	10924	7421	11695	6361	6254	5903	0	0	0	5991	7376	0	9898	7354	8300	7499	5111	0	10924	6435	3759	10131	7981	5460	10788	4440	10499	8394	3689	8650	7230	11485	0	1839	1943	7541	6759	7813	1863	6708	0	6797	7035	0	6610	3390	5100	0	5311	4340	7865	5513	7864	11533	9668	15947	20006	3016	5831	0	8674	10539	4969	6164	6135	10614	5451	8103	6251	10995	4774	0	5123	12001	Peptide	0.47368422	1.4210526	0.15789473
8	C24 H27 O7 N1	442.18604	442.18668	-0.1827356	442.18594	7059	7688	6212	9802	4142	3115	1918	4505	5798	27282	21307	4110	3365	3762	3514	6899	3762	2793	5404	35881	33245	9130	3042	7820	3924	28195	2938	12673	2565	4614	3744	4393	6152	3157	25592	3801	4128	3211	5488	12826	16541	2633	0	0	0	9467	13156	0	5677	4628	7453	6667	3048	0	3698	2158	2246	4462	1358	2528	5119	8792	5627	5622	0	3680	4637	6384	21134	37939	41129	5147	5185	4391	3040	4795	0	2707	3160	6495	3350	3922	1307	11318	3584	0	4029	2848	2923	10681	0	0	7629	10699	16996	0	9309	6800	3702	3390	2776	4200	2724	5722	0	4159	0	0	3285	4018	Phytochemical	0.29166666	1.125	0.041666668
14	C24 H27 O7 N1	442.18604	442.18655	-0.19618055	442.18594	25286	27384	28762	18197	9524	8911	12108	16998	11441	59176	33325	10983	7931	8358	7705	17978	17357	13242	17692	74559	74418	33923	8274	15193	11369	86373	11611	37460	14690	11872	11443	17549	15728	12253	70659	9613	13876	8379	22500	45337	60493	9305	0	0	0	27217	35548	0	12707	13937	23110	24134	10614	0	11174	5191	7229	22617	7931	22042	0	27570	11214	11040	7557	13784	11141	21761	82344	96903	98056	12209	10437	11046	11381	11863	0	10474	20521	24671	12618	15275	10698	27278	9050	7808	20229	11490	11071	31773	25007	18304	27605	28808	38568	0	20419	21502	9150	9042	9473	19591	9453	18678	20023	15250	6517	0	16470	12624	Phytochemical	0.29166666	1.125	0.041666668
28	C24 H27 O7 N1	442.18604	442.18646	-0.21065012	442.18594	8081	5687	6996	8904	6920	2914	4617	8804	5626	6472	7644	1989	4014	3347	3238	16418	8196	5113	14926	3661	4118	10698	7962	16333	4387	5783	2729	5523	4553	5337	4509	3695	9511	4573	6362	5160	6544	5557	8135	2972	6413	4720	0	0	0	4079	4077	0	8197	4967	8300	6644	6023	0	9265	2255	2503	14500	2865	4540	17734	2341	3937	9861	2388	4680	6798	12014	10019	10003	15825	4495	4154	0	5739	3534	0	4308	11866	5051	8326	3268	3517	3455	5232	4215	17398	6672	6580	35931	5332	6754	25572	4168	4692	0	8396	7069	3651	3718	4217	13123	3174	8267	0	20090	2576	0	7033	6379	Phytochemical	0.29166666	1.125	0.041666668
26	C24 H27 O7 N1	442.18604	442.18643	-0.20224324	442.18594	7603	7894	10065	7127	7855	2963	0	0	5380	17257	13120	3458	6369	5025	0	10284	5580	5237	9825	11632	13948	10463	4825	13338	5792	15263	0	12153	0	0	4543	0	7504	4179	16714	0	6222	3464	6833	9575	12122	0	0	0	0	8369	9435	0	4717	0	6555	6236	6007	0	6476	0	0	10826	2865	3104	12863	7596	6726	5203	2356	7256	7181	6613	22345	20510	32051	5651	5540	0	0	2840	0	3325	8767	6160	4135	5521	2619	7128	9280	0	9224	4738	3882	16525	5014	4328	17435	6128	10212	0	6584	8928	4882	5315	4754	7887	3407	0	0	12690	4977	0	5867	7196	Phytochemical	0.29166666	1.125	0.041666668
6	C24 H27 O7 N1	442.18604	442.1868	-0.052741207	442.186	2388	2926	2176	2552	2606	1040	1892	3457	1312	9768	7641	1318	2648	1075	1689	2727	2593	2370	4540	13569	14727	3860	1706	5259	1234	13034	1326	4523	3336	2537	2726	3117	1776	2195	12864	1554	0	1254	3146	6475	7662	1109	0	0	0	3832	4692	0	3037	2329	3291	4364	2261	0	2809	920	879	3705	0	0	4337	5241	1523	2901	836	1431	1169	3663	13995	21921	19914	2891	2556	2059	2003	1955	0	964	1576	3859	1549	1420	617	5104	703	1722	2049	1681	877	4767	0	2467	3952	4522	6985	0	4484	3558	1934	1356	1305	3540	0	3455	0	3651	1109	0	1785	2627	Phytochemical	0.29166666	1.125	0.041666668
24	C24 H27 O7 N1	442.18604	442.18646	-0.19032294	442.18594	21663	18943	19095	18687	13259	11872	5179	14385	14114	47733	37203	6882	14796	10665	8407	13311	8740	15207	21182	43718	54563	23985	9506	21205	11642	64409	4730	40486	8148	9241	8582	7746	13583	10101	48378	9186	16295	4704	10704	37451	41085	8388	0	0	0	28547	28440	0	15370	9043	17511	16337	14234	0	13984	11472	6102	15534	12320	10116	18360	26186	16903	12125	4736	19302	13666	13151	63438	67910	82153	11639	11058	4844	6460	6211	0	7028	14689	20956	10738	20238	8881	27026	17773	7827	14258	10156	11942	17557	22378	25639	33499	28683	30926	0	19383	18637	10234	11837	13258	8688	6874	15844	18568	13984	13266	0	11107	19022	Phytochemical	0.29166666	1.125	0.041666668
10	C24 H27 O7 N1	442.18604	442.18658	-0.1848082	442.18594	13104	13563	10758	12589	4390	5851	5472	7311	6052	39289	25603	3198	6319	4807	3325	7617	6801	6216	8274	49198	51870	13933	4467	9899	3389	52988	5581	23501	5651	6701	5756	5371	6874	7167	47100	6983	10179	4263	7235	29144	26230	3585	0	0	0	12304	17177	0	7002	5776	12038	13240	4970	0	8269	4862	2944	7174	0	4277	0	18742	5613	5085	2108	5767	6498	6772	48040	66491	62954	6744	5626	5265	7304	5032	0	3769	7093	10544	5718	4806	2517	19320	4570	4136	6180	4093	6706	11042	12981	7014	13215	13035	30129	0	12187	13738	4484	3584	5004	10407	3220	6474	0	7001	4510	0	3026	4301	Phytochemical	0.29166666	1.125	0.041666668
12	C24 H27 O7 N1	442.18604	442.18658	-0.1697098	442.18594	15659	15626	12771	10790	8408	5114	7277	9251	9901	46594	30395	6393	5591	4908	8441	9317	11462	9902	10149	60263	58569	21255	6569	8665	8716	69182	4589	28304	8429	6381	6712	8112	14869	8003	62578	8305	8859	5906	9473	36950	40613	6772	0	0	0	18437	24643	0	8465	7512	13071	19349	7260	0	9279	5095	5320	12631	0	10963	0	17652	8528	7922	4018	10516	8169	12176	52053	93694	91950	6617	6836	4808	4776	9352	0	5354	10911	0	7650	12095	4615	25157	6683	4379	12746	4614	6160	22109	15279	13136	14047	22586	28805	0	15676	16933	8375	7194	6111	8301	5707	12096	0	8692	4545	0	7953	7473	Phytochemical	0.29166666	1.125	0.041666668
8	C18 H27 O8 N5	442.19324	442.19394	0.15901174	442.1933	9357	12011	7359	17077	4139	5788	6354	10531	3981	13436	2682	4114	10210	3460	8146	10526	6543	6049	6776	7694	6534	13317	14106	13922	7028	0	5911	26444	8254	8568	14529	12467	18796	8023	9941	6734	20274	8607	8351	15854	11870	3269	0	0	0	6432	4450	0	13013	9030	11572	6442	5616	0	6579	1593	2782	24965	4726	3373	5853	3899	2026	4469	0	7019	9482	4512	0	0	0	15106	6425	8943	4693	7690	0	4140	8168	0	4944	3436	6512	3284	3090	0	6218	4589	5035	12962	0	0	32894	4800	11862	0	15026	8806	0	3163	0	11933	5654	8396	0	19965	2103	0	13921	27922	Peptide	0.44444445	1.5	0.2777778
6	C18 H27 O8 N5	442.19324	442.19382	-0.012365735	442.19324	0	3899	2333	3142	1775	1800	2027	3514	0	0	2324	1582	0	2456	3263	4079	1937	0	2548	0	0	2379	2299	4531	2215	0	1651	34576	4007	2738	4410	3936	5420	2476	1637	3727	4340	2262	2227	0	0	1779	0	0	0	0	0	0	3743	2720	2426	2811	1728	0	1555	0	1135	4268	0	1102	4512	0	0	0	0	1819	2295	2293	0	0	0	2929	3208	2622	1383	3207	0	2261	2230	0	1943	0	0	0	1481	0	3611	1448	2273	5084	5110	3507	9167	0	0	0	2591	1983	0	0	0	3541	1772	0	0	3643	1016	0	1826	2377	Peptide	0.44444445	1.5	0.2777778
26	C21 H31 O9 N1	442.20715	442.2076	-0.21243908	442.20706	20839	18738	17101	12661	16781	16219	4648	21710	20051	36371	10387	14371	39587	8711	12346	20062	9946	29885	28877	41195	42480	10974	18128	23242	12798	22921	5500	6318	16879	13661	17894	18525	17607	17892	33294	14684	17668	15872	11638	20981	13137	11872	0	0	0	18442	17168	0	18113	18491	20416	15098	12789	0	27910	14732	9779	17655	11526	9531	21082	13699	23825	20822	6250	19696	7828	10586	29132	44835	41735	27306	20506	20898	13132	14441	0	15961	15516	7144	13328	10248	9932	11843	19132	10753	12690	12934	12643	11543	9616	8907	17542	6307	15151	0	18846	18893	9383	12226	14977	19391	11956	17484	8740	15497	7595	0	9243	26227	Lipid	0.42857143	1.4761904	0.04761905
6	C20 H31 O8 N3	442.21838	442.21906	-0.15762657	442.21832	7509	7369	8103	8252	3791	3691	4287	12302	3868	2871	1879	2413	5338	1365	8277	12029	4023	6175	9437	6177	4033	11473	6014	10766	10235	0	3800	2931	10578	7815	9526	11345	14424	6233	8718	9383	12758	5016	5849	4588	2504	3529	0	0	0	5789	2250	0	12417	7426	8542	6775	4555	0	8338	2582	1572	11095	4707	1021	11080	1926	5284	5969	841	6597	5898	6378	0	3903	0	8618	6555	8378	3329	5730	0	6200	5235	0	5058	2471	3574	1551	2886	3481	7024	4189	4957	13272	21123	23110	18234	1597	6461	0	9162	9497	1798	1892	3305	10791	4328	8865	0	9581	2548	0	6706	8811	Peptide	0.4	1.55	0.15
10	C20 H31 O8 N3	442.21838	442.219	-0.07150861	442.21835	7533	7247	4282	7071	1706	2070	6683	9007	3028	3023	0	4186	5395	0	8873	7465	0	3746	7009	4552	2808	12557	4036	12077	8692	0	3863	0	9114	8371	7591	12147	12934	7888	5007	11552	13052	5027	8137	6038	1520	3418	0	0	0	5479	2161	0	12108	6917	7355	5754	1904	0	4724	1800	1921	13535	3925	0	0	1810	2581	2540	2510	3283	2601	5990	0	1745	0	13241	0	13356	8223	8720	0	4523	4473	0	2869	1451	3695	2294	1767	1294	5646	3811	4744	9587	20392	15914	18583	2422	4981	0	8241	5411	0	1616	1164	9244	4855	7107	0	7625	875	0	5110	3346	Peptide	0.4	1.55	0.15
8	C20 H31 O8 N3	442.21838	442.219	-0.10674027	442.21835	7900	7452	6903	5551	4136	4609	4194	8695	3409	4441	0	5565	6582	3879	8005	9240	6052	3837	7396	4920	3617	11752	6239	12474	9631	711	4865	1910	9627	8818	8249	10414	10119	7528	5015	11007	12913	7380	4675	5995	1308	3801	0	0	0	6705	1508	0	11658	7593	7512	8429	3575	0	8247	3040	2557	13653	4073	1632	12567	2891	6724	5902	2072	5597	4500	6074	0	1962	1865	7594	8224	6920	2160	8749	0	5905	5486	0	4960	2889	4008	2403	1771	0	5594	3324	4010	11427	40616	29305	23866	2497	3722	0	8976	6374	4095	2323	2262	14292	4319	10411	0	9435	2352	0	6212	5524	Peptide	0.4	1.55	0.15
28	C25 H31 O6 N1	442.2224	442.2229	-0.11690603	442.22235	17698	17293	16741	14853	8346	17970	29400	17275	4332	4038	6833	8455	4405	37448	11476	52963	100680	15656	10182	4563	3222	5171	14677	32957	32722	10492	35346	16000	25647	21917	17488	25733	90015	27728	5306	29226	78872	15095	99930	2781	7350	46713	0	0	0	6170	4815	0	28907	17209	17596	16978	27400	0	7103	1851	5563	51061	1386	2245	46116	1477	4054	5982	4961	8511	33789	84494	9130	9202	13727	13074	12869	8348	32567	14244	0	8560	18563	6902	14981	2385	2340	2700	5107	7557	35619	35881	23719	52345	7425	5644	31639	4101	3082	0	19559	17371	4986	2725	3354	100557	7809	0	2795	61517	4508	0	35962	5164	Phytochemical	0.24	1.24	0.04
12	C25 H31 O6 N1	442.2224	442.223	-0.15477343	442.22235	8275	10135	6059	8052	5291	5201	4587	4577	2639	21513	20569	5050	2032	2911	4738	8253	7249	3112	5054	42178	37871	4571	5451	8032	5505	39423	8913	16293	8164	5289	5873	5855	9246	7600	35161	6072	10862	2968	9984	19361	11550	5524	0	0	0	7846	10553	0	8520	4488	8480	8473	4843	0	2717	1802	2841	9533	0	0	0	7485	2683	3500	3765	4126	5704	11833	33468	48311	48838	8839	6225	5812	7923	7628	0	3190	6533	0	5126	1063	1159	13416	992	1679	8689	4859	3865	20755	11215	3188	17317	9187	12671	0	4720	13445	1740	1330	1133	8828	4711	2873	0	9660	1254	0	7060	3918	Phytochemical	0.24	1.24	0.04
26	C25 H31 O6 N1	442.2224	442.22284	-0.17494814	442.22235	11689	10962	11389	12752	10507	5748	2652	7860	7517	17399	23965	5629	7996	2647	0	8405	9337	6217	10209	19254	20764	16864	0	18540	15220	42787	3642	18236	12968	7499	8287	8693	11335	8580	14028	9573	13092	8360	8767	15546	20503	7173	0	0	0	12988	10504	0	11465	9060	12739	10883	8562	0	5462	6369	4665	15126	7117	6501	12349	12758	6922	6839	0	12100	10145	11144	43668	33833	52790	9860	9557	0	0	7784	0	5683	9653	11867	3975	9999	7417	19265	9523	0	13097	5680	8682	16274	11256	13980	29917	8995	9439	0	9759	12080	8043	9652	9998	14827	4796	16681	0	13645	0	0	9414	8913	Phytochemical	0.24	1.24	0.04
16	C25 H31 O6 N1	442.2224	442.22287	-0.2773449	442.2223	10927	16086	11297	16347	7028	5441	8020	8905	4118	21201	27882	7215	0	6289	8216	16462	15572	6088	12049	42298	39989	13891	7863	18727	9648	46853	7395	24467	11763	13299	9093	7675	12409	8577	27766	12000	11088	5521	19290	30549	35665	5167	294	0	0	10667	14934	0	14365	10744	19190	12637	7983	0	3201	1450	4738	20750	5529	12689	10539	12955	4538	4243	3756	5304	6971	23584	37904	52964	62224	8087	7656	9420	10401	11131	0	7495	10420	17215	10326	6838	7636	22243	3591	5287	13151	7537	6477	52788	21140	12700	0	14248	23128	0	16454	12730	6915	1640	2996	17815	6229	13386	8020	0	3955	0	11526	4927	Phytochemical	0.24	1.24	0.04
10	C25 H31 O6 N1	442.2224	442.223	-0.1615434	442.22235	8904	8598	9091	9365	3900	5397	4508	10910	2333	19957	15095	3981	2301	1864	4465	7387	8603	1897	4796	32786	31645	4284	5147	10865	6046	34564	5214	18757	6773	9131	6067	7056	11423	7203	21449	8279	9379	4886	7360	14586	6857	5005	0	0	0	6579	6601	0	13113	8733	9954	8562	5187	0	3120	795	2431	8122	0	1421	0	6792	2216	2443	2375	2567	5286	11244	18760	34997	35535	8517	6906	6870	6199	4066	0	4902	6193	8901	5086	1079	753	9074	2009	2289	4473	4691	4474	16168	8906	2824	13088	7448	16423	0	9286	7966	2986	1769	1870	8688	4272	6369	0	7873	2772	0	4712	1764	Phytochemical	0.24	1.24	0.04
28	C22 H35 O6 N1 S1	442.2258	442.2259	-0.19651389	442.2257	1339	2143	2118	2109	0	0	0	0	0	1771	0	0	0	0	0	3040	3102	0	2341	0	0	1214	0	0	0	0	0	0	0	0	0	1609	0	1888	0	0	2051	0	1515	0	0	0	0	0	0	0	0	0	1330	0	1605	3090	0	0	0	0	0	5500	0	0	0	0	0	0	0	1200	0	0	0	1329	1852	0	0	0	0	1207	0	0	3521	0	2080	0	0	0	0	0	3942	0	1878	53096	2899	3499	6380	0	0	0	2407	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.27272728	1.5909091	0.045454547
4	C18 H35 O11 N1	442.2283	442.2291	0.21851353	442.2284	1231	1696	1682	1411	0	512	626	2583	0	2347	1964	886	512	0	1205	1331	0	268	340	0	0	1002	1684	1567	1083	0	0	4371	2447	3357	3209	3518	2593	854	1540	3838	1593	667	0	0	0	0	0	0	0	0	0	0	2402	1984	1286	0	438	0	825	0	0	1417	0	0	1339	0	344	564	0	655	671	0	0	0	0	761	2823	8535	0	3529	0	2120	448	25334	522	0	0	0	0	535	1114	0	0	1084	9465	9117	1759	2273	1442	0	0	1589	0	329	336	2008	1602	0	0	1516	359	0	486	583	Unclassified	0.6111111	1.9444444	0.055555556
2	C19 H31 O7 N5	442.2296	442.23035	0.061773777	442.22964	1480	1055	880	0	1100	0	0	2550	589	495	0	964	1412	777	0	374	1074	811	551	0	0	1382	798	1207	0	0	0	4308	2131	610	0	853	1454	790	0	1436	1634	446	1090	0	0	0	0	0	0	0	0	0	1343	1141	0	1017	0	0	1188	460	302	1793	0	0	410	0	593	814	0	1447	0	1916	0	0	0	1071	807	2379	0	801	0	873	1036	22497	976	0	0	0	628	362	2429	0	870	3475	15459	7203	2191	1848	0	0	1353	925	495	610	556	798	1013	345	0	1139	1137	0	984	1431	Peptide	0.36842105	1.6315789	0.2631579
8	C19 H31 O7 N5	442.2296	442.23004	0.013426479	442.22964	15078	15697	10659	13071	8114	7484	3690	14514	5624	12735	6742	9233	6542	6724	8418	15477	6262	3012	2133	29103	19221	5056	2947	6940	10605	17946	9832	9757	14222	12384	10876	6702	17021	7600	17484	9928	20098	10381	11864	8786	8245	7621	5556	4808	2880	5364	5676	4968	24872	10582	10827	11583	10464	2852	5095	660	7187	18494	6708	0	6534	3885	0	4897	0	7591	16441	10516	9290	19008	17184	10528	12758	11806	6624	9875	3060	10059	5814	13170	4610	5212	9766	7064	0	0	4685	9282	9230	18514	0	0	26089	5151	19953	5508	6039	11770	6384	4668	0	14368	8723	17233	0	14385	0	4380	10538	9916	Peptide	0.36842105	1.6315789	0.2631579
12	C27 H32 O3 N1 Na1	442.23526	442.2359	0.1288234	442.23532	9654	6608	12961	9029	0	0	69116	5962	0	0	0	9433	0	0	9368	2648	178619	0	0	0	0	0	0	0	1280	0	15024	0	17476	14308	23834	10100	122841	9065	0	14420	85551	10238	402412	0	0	0	0	0	0	0	0	0	33086	16174	10889	8151	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	222319	0	2362	3527	11454	8150	25016	150208	5502	0	18742	1463	0	0	0	0	0	0	0	0	2081	0	0	0	0	0	0	0	0	9653	11312	0	0	0	101297	6382	0	0	41726	0	0	0	0	Phytochemical	0.11111111	1.1851852	0.037037037
26	C22 H35 O8 N1	442.24353	442.244	-0.23782471	442.24344	10890	9180	12430	12245	15452	10942	5198	12018	13832	14300	8500	9189	17753	7874	12252	11165	0	24131	25847	20140	23775	12459	8961	12212	8182	12780	4836	7832	15372	7310	9424	7810	12629	8941	24296	9284	18362	8497	5596	11977	6309	6428	0	0	0	9175	0	0	9831	8100	13047	11522	10080	0	21642	13195	6631	11999	9332	4099	15061	7846	23470	18473	4715	15551	12070	4978	14882	28554	22248	10359	12114	8527	7017	7568	0	7903	11880	5289	11018	5150	7192	9044	9797	6832	17486	10385	8903	9205	11614	17895	23184	4829	10182	0	12987	10982	5916	10978	10808	8941	7697	9970	9951	10367	7452	0	5449	22825	Lipid	0.36363637	1.5909091	0.045454547
6	C22 H35 O8 N1	442.24353	442.24423	-0.15997565	442.24347	6892	5752	6292	6596	29771	6653	5121	11455	7319	5719	1793	3555	19281	2577	6387	10132	6896	6998	8263	7493	7242	8335	3697	7525	5826	1676	3316	0	9095	8154	8277	8681	9954	5861	7678	8527	12388	5329	5860	4763	1901	2974	0	0	0	5648	4985	0	9682	7091	8341	7723	10022	0	18688	7449	3846	11177	1520	865	8096	3195	9168	12158	3034	11687	4476	6662	0	3256	4394	6171	7896	7640	4219	7351	0	4725	5005	0	3314	1457	2740	2477	7937	6433	6373	3111	3850	11119	15524	10520	12505	3669	4900	0	6039	8380	6611	7980	8417	11527	4922	8011	0	6092	10815	0	3797	37947	Lipid	0.36363637	1.5909091	0.045454547
12	C22 H35 O8 N1	442.24353	442.2441	-0.17557694	442.24347	11102	13945	11621	9017	7344	7189	18104	28160	5591	10357	5731	13931	7619	4296	17155	16728	15741	11345	11051	12449	14799	18660	20312	13885	18686	9625	12795	0	26825	17138	17116	16154	25158	14615	16114	21164	16364	15091	16494	17318	8111	10545	0	0	0	13172	7345	0	16990	15786	13465	11455	10905	0	11290	8623	6254	20061	7147	8121	0	4464	7420	7583	6114	10707	8767	18764	0	9398	14856	12075	16023	20337	13522	17107	0	15939	15851	0	10440	9346	10206	6327	11020	7068	14927	5486	10053	22107	14605	18610	22316	15409	11227	0	11932	16392	7543	9611	9681	17585	11937	15444	0	16599	7266	0	15838	6964	Lipid	0.36363637	1.5909091	0.045454547
10	C22 H35 O8 N1	442.24353	442.24414	-0.1602692	442.24347	11933	14000	12001	9560	5557	6443	10987	20029	4305	12331	4951	7957	5933	2758	10508	14148	12691	6930	8519	15910	8981	13461	13143	16879	10839	3209	10568	4842	18594	18893	12164	17028	19045	13905	14966	17510	16750	11161	9238	9957	5693	7221	0	0	0	14847	6960	0	18692	13459	11743	11903	6520	0	7789	4071	3266	16503	3601	3481	15732	4041	4583	6119	3062	6809	8500	12558	0	8786	6187	14819	14229	20169	13206	15217	0	11640	8196	0	6127	4362	5950	5605	3753	3644	12454	4536	5461	14094	23649	13999	19586	4656	8742	0	14845	12625	3642	3705	5298	16801	8741	17202	0	15776	2985	0	9040	4657	Lipid	0.36363637	1.5909091	0.045454547
10	C26 H35 O5 N1	442.2588	442.25934	-0.13330984	442.25873	12258	7469	9191	9116	0	1830	6688	19681	0	9504	4330	15240	0	0	6467	12694	49457	0	2330	9686	7821	1634	4994	12207	6005	6287	13163	7245	15627	20614	17560	20653	60586	10409	4541	26955	59528	6717	27168	2467	0	5004	0	0	0	0	0	0	16218	15703	8033	7971	1043	651	0	0	1027	11848	0	0	8938	0	0	0	1432	0	2158	71222	0	3861	6864	9514	16189	25398	17733	19715	0	12062	3326	0	4981	0	0	3093	0	909	1099	2484	4525	21762	4209	0	18322	2609	5063	0	6511	9930	0	0	0	74577	11331	5673	0	17914	0	0	3890	0	Lipid	0.1923077	1.3461539	0.038461536
12	C26 H35 O5 N1	442.2588	442.25934	-0.028227806	442.2588	316648	273540	295551	276035	0	1634	160223	13927	0	13491	22397	19118	0	859	6344	12478	5193783	0	1735	17510	32794	0	7127	9795	7407	12023	149736	45196	26973	16210	20296	25361	5086796	14988	39974	33199	2374389	8181	3661435	4555	0	3922	2404	0	0	0	0	0	13190	14742	301433	243129	1231	444	0	0	1688	6125	0	0	0	0	0	0	1468	0	3556	7493162	0	11495	129524	11062	15892	32403	18921	22785	0	20113	1861	0	3841	0	0	2091	0	1023	3265	4306	4760	43138	7459	0	21841	0	6482	0	313547	281204	0	0	0	4184102	13926	3400	0	24442	0	0	6364	0	Lipid	0.1923077	1.3461539	0.038461536
8	C26 H35 O5 N1	442.2588	442.25934	-0.24478103	442.2587	7962	6964	8444	5804	0	1492	8014	17298	0	3484	3570	11054	0	0	10810	20134	12902	0	0	7388	9764	2868	6374	15730	7756	2146	9368	4350	17330	14494	15466	13812	22715	12148	2634	13666	30928	10264	12210	6736	0	2610	0	0	0	0	2524	0	20104	18022	5188	6628	1836	0	0	0	2970	8922	0	0	14432	0	0	0	2321	0	3962	20354	0	4590	4398	11580	13900	11650	22190	10244	0	12514	2170	7516	7462	0	0	10308	0	0	3430	2438	3204	23337	0	0	16560	0	6594	0	7328	4776	0	0	0	38236	11024	7032	0	12960	0	0	5367	0	Lipid	0.1923077	1.3461539	0.038461536
16	C26 H35 O5 N1	442.2588	442.25928	-0.25660977	442.2587	3135	6130	4487	3081	0	0	3574	6124	0	5212	8944	6028	0	1112	5592	7628	14654	0	1915	9441	8888	0	4176	7618	2734	11283	5665	10521	5852	4956	11003	12402	24672	6118	6755	6281	27153	6206	10913	2407	1939	2884	0	0	0	1274	0	0	6590	3868	5608	3998	0	0	0	0	2921	6980	3879	2339	6427	1143	0	0	1577	0	1901	28455	4908	9484	13990	5194	5225	6773	8088	6344	431	8247	0	0	4333	0	0	0	0	0	0	3361	2209	0	5464	0	0	2521	3924	0	4763	3538	0	0	0	31535	5198	6197	3828	0	0	0	2393	0	Lipid	0.1923077	1.3461539	0.038461536
18	C26 H35 O5 N1	442.2588	442.25922	-0.24920121	442.2587	4109	4031	3585	4449	0	0	5543	5251	0	6170	7003	7642	0	1303	4382	4409	9972	0	0	8721	6804	0	4534	2901	1913	12325	6779	9587	5983	7238	11443	11793	24321	4418	5848	6796	25183	3300	14887	4989	4177	2150	872	0	0	1406	2877	0	6338	3572	3579	5546	0	0	0	0	1399	3253	11801	3969	4567	1905	0	0	0	0	3626	12538	12265	9138	8229	3965	3451	2863	13353	5386	0	5024	2378	0	4058	1849	3125	1790	0	0	3341	3236	1620	14535	7629	0	7712	1326	2247	0	2588	2790	1249	0	1342	17721	4936	7118	15056	6950	0	0	3492	0	Lipid	0.1923077	1.3461539	0.038461536
20	C26 H35 O5 N1	442.2588	442.25925	-0.26020274	442.2587	5890	9413	7438	7871	0	3318	10305	7952	2561	6156	13107	7118	0	0	9329	11700	33088	2629	3621	10361	7573	7035	4694	7609	5785	24259	10964	8560	12822	12942	8130	11300	20155	9937	4240	14141	18278	10030	27335	6646	11527	4411	0	0	0	6089	3339	0	13519	13364	7374	7437	4245	0	0	1752	1756	9169	1774	8840	7712	3645	1799	1435	3736	0	4160	31697	13894	19358	25767	9006	9414	9409	20732	11504	0	7128	5818	7701	7436	1847	4810	0	2842	1820	7448	4350	3040	35411	16067	8107	18280	5207	6674	0	7864	5270	2631	1660	0	23113	7177	7837	4437	15611	3217	0	10451	0	Lipid	0.1923077	1.3461539	0.038461536
14	C26 H35 O5 N1	442.2588	442.25928	-0.15954989	442.25873	6291	5633	2768	5400	0	0	3604	9294	0	6880	7381	10612	0	0	8290	5097	12409	0	0	18274	5400	0	5462	4513	4548	13403	6215	7468	12071	9939	11002	12988	37471	7248	0	12390	32367	7958	6049	4013	0	2418	0	0	0	1831	0	0	10224	6750	6027	5187	0	0	0	0	715	8139	0	0	0	0	0	0	1937	0	2176	31137	0	9647	8249	4981	9351	8064	13142	8434	0	5331	0	0	2127	0	0	3454	0	0	1682	3143	2614	22826	8323	0	14973	0	3375	0	5305	4376	0	0	0	30896	7164	2627	0	30998	0	0	2269	0	Lipid	0.1923077	1.3461539	0.038461536
6	C19 H39 O10 N1	442.26468	442.2657	0.23069394	442.26477	2604	2185	2174	2175	0	2658	0	0	1382	0	2825	0	0	4121	576	0	0	0	0	0	0	0	0	0	0	0	0	44425	0	0	0	0	1018	831	0	0	822	0	0	0	0	5357	0	0	0	0	0	0	0	0	2004	2590	1776	0	4372	0	4452	0	0	0	0	0	737	3395	3371	5105	14761	0	0	0	0	0	0	0	0	0	0	0	0	198993	0	0	0	0	2289	2589	645	0	901	0	202047	70071	0	20162	1741	0	1645	2059	621	0	0	0	0	0	0	0	1066	0	0	0	Lipid	0.5263158	2.0526316	0.05263158
14	C19 H39 O10 N1	442.26468	442.265	-0.21251848	442.2646	0	0	2713	1868	0	2151	0	0	0	0	0	0	0	0	1194	0	0	0	0	0	0	0	0	0	0	0	5651	0	0	0	0	0	0	0	0	0	0	1162	0	0	0	0	3141	1576	1213	0	0	1810	0	0	1795	0	1035	2327	0	0	1877	1662	6175	0	0	2414	0	0	3099	0	0	0	0	2257	1258	0	0	0	0	1370	1567	0	0	0	0	1640	0	0	1078	2573	1573	1901	0	0	0	0	0	0	0	1995	0	2088	2358	0	0	0	0	2424	144824	0	926	1966	0	0	Lipid	0.5263158	2.0526316	0.05263158
16	C19 H39 O10 N1	442.26468	442.2652	-0.22820857	442.26456	3114	3925	1977	4672	2168	1923	4319	2822	2695	0	6507	2311	4056	2381	3545	2375	3593	11698	2995	1933	0	0	2435	1503	0	3366	10095	7972	2471	2979	0	0	0	2142	1759	1926	0	1180	2668	2678	5943	0	8569	8281	8914	2685	9535	7952	1888	3704	0	3109	1694	9752	0	4484	6527	2870	11833	3821	0	4046	2383	3115	16352	2603	2817	1999	5330	3651	2599	1467	3604	3574	1938	3199	9845	2461	0	5719	1681	1792	2007	3642	4883	9403	2447	5011	0	0	3279	2373	0	2004	0	7289	2679	3619	3667	1889	2569	2261	2201	14027	169974	0	2664	8203	2367	0	Lipid	0.5263158	2.0526316	0.05263158
4	C20 H35 O6 N5	442.26602	442.26666	-0.28928968	442.26587	1304	1473	1797	1555	0	3910	0	0	0	8701	5912	0	0	0	0	0	0	0	0	0	0	0	361	382	633	0	0	47650	0	0	0	0	0	0	1652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1671	1755	0	0	0	0	0	510	0	0	0	0	0	0	0	548	1035	0	0	0	0	0	0	0	0	0	0	245	632	192310	0	0	0	0	469	391	1278	0	0	2632	88783	38596	1942	8628	4063	0	1343	989	0	0	0	0	0	0	0	587	0	0	885	334	Peptide	0.3	1.75	0.25
10	C20 H35 O6 N5	442.26602	442.2665	-0.3657089	442.26584	0	0	0	0	0	1643	0	0	0	0	1243	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3600	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5514	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17767	0	0	0	0	0	0	0	0	0	0	21524	3718	0	1264	0	0	0	0	0	0	0	0	0	0	23344	0	0	0	0	0	Peptide	0.3	1.75	0.25
8	C20 H35 O6 N5	442.26602	442.2667	-0.26466155	442.2659	2334	0	0	1292	720	1914	0	0	0	0	1007	0	1036	0	0	1423	0	0	0	0	0	0	0	1508	0	0	0	13721	0	0	0	0	1244	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	876	1583	0	0	0	0	0	0	0	0	0	0	0	697	0	866	0	1097	0	0	0	0	0	0	0	0	0	650	0	99900	0	0	0	0	0	0	0	0	0	0	160263	38801	0	7145	1574	0	1274	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.75	0.25
2	C20 H35 O6 N5	442.26602	442.2665	-0.25501186	442.2659	0	673	0	0	0	0	0	0	0	0	0	0	0	0	459	0	410	0	0	0	0	0	0	617	802	0	0	6420	0	0	0	0	0	0	0	0	0	356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	817	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	588	35630	0	0	0	0	0	0	555	0	0	1822	7916	1556	1007	1757	0	0	0	0	0	0	0	0	0	231	0	0	0	0	579	0	Peptide	0.3	1.75	0.25
20	C27 H39 O2 N1 S1	442.27744	442.27744	-0.5322691	442.2772	4201	0	0	2374	0	0	0	0	4597	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1221	0	0	0	0	1647	1405	0	0	2220	1531	528	0	0	2610	0	0	0	2717	0	399	2351	0	2913	0	25162	5749	0	2836	0	3965	3393	0	0	0	0	0	0	0	0	0	0	2078	366	0	0	0	0	1227	0	0	11459	0	0	4004	2158	0	3664	0	0	0	0	2784	0	0	2346	6999	2602	0	1557	15463	29341	0	5252	2634	0	1306	Organosulfur	0.074074075	1.4444444	0.037037037
10	C23 H39 O7 N1	442.27994	442.28046	-0.14833187	442.27988	3405	1013	1303	1657	0	0	1443	2883	0	0	0	1535	0	0	1458	1545	1651	0	0	0	0	0	1049	0	3102	0	1492	0	1736	3377	2394	2645	3550	2743	0	4261	2871	1442	2296	0	0	0	0	0	0	0	0	0	2783	2352	0	0	0	0	0	0	0	4058	0	0	0	0	0	0	0	0	0	1519	0	0	0	2737	1846	1984	1412	1247	0	844	1957	0	0	0	0	0	0	0	21438	0	0	14685	6127	1764	3179	1086	1205	0	1809	1585	0	0	0	2122	1537	0	0	1358	0	0	2763	0	Lipid	0.3043478	1.6956521	0.04347826
20	C23 H39 O7 N1	442.27994	442.28036	-0.20871826	442.27985	13798	8241	9928	14020	8776	6899	35851	14512	8715	3646	4114	8187	10208	7508	12619	14654	19612	11262	13692	8929	8168	4247	10207	12409	12832	9213	29697	7255	15432	11557	14085	16750	17764	13460	6546	15081	18811	9453	15894	4290	5403	16933	1158	0	0	7182	4061	0	16737	11621	10177	8479	9404	0	11932	11915	6603	18583	7441	4706	15341	3451	11797	11869	6365	11402	16057	19816	1955	4197	4460	10615	14202	19717	20935	13249	0	9913	13804	9329	8977	5246	37521	21500	15696	13386	18793	7709	12416	14690	29411	17116	17362	4023	4459	0	13897	16481	4128	11880	18341	24711	7457	13294	7531	13319	11045	0	11426	7640	Lipid	0.3043478	1.6956521	0.04347826
18	C24 H40 O1 N3 S1 Na1	442.28625	442.2866	-0.06885015	442.28622	0	0	0	0	0	0	0	1939	0	0	0	13619	0	0	0	2533	0	0	0	0	0	0	0	0	1670	0	0	0	0	0	2247	0	10487	0	0	0	11583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6051	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13035	5887	0	0	33788	0	0	0	0	Organosulfur	0.041666668	1.6666666	0.125
12	C27 H39 O4 N1	442.2952	442.29572	-0.22962816	442.29507	0	1863	5049	0	0	0	0	2686	0	0	0	3301	0	0	1221	1637	0	0	0	0	0	0	0	0	2592	0	0	0	0	1082	0	0	0	1423	0	2278	2104	0	0	0	0	0	0	0	0	0	0	0	0	1952	1662	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2247	1397	1604	1411	1432	0	1432	0	0	0	0	0	0	0	0	0	0	0	5283	0	0	156293	0	2998	0	0	0	0	0	0	2859	1893	0	0	26962	0	0	0	0	Lipid	0.14814815	1.4444444	0.037037037
18	C20 H43 O9 N1	442.30106	442.30164	-0.11823831	442.301	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4147	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2791	0	0	0	7061	0	4617	0	599	848	481	0	7329	830	0	0	0	0	0	4377	0	0	1540	0	0	3087	0	0	0	75767	15354	0	0	4644	0	0	2393	0	0	12887	0	0	787	0	0	0	0	0	0	0	0	4813	0	1515	0	0	0	0	0	0	0	905	0	0	0	0	0	0	0	0	5355	0	0	930	0	0	Lipid	0.45	2.15	0.05
16	C20 H43 O9 N1	442.30106	442.3016	-0.09338807	442.30103	0	5298	3835	2301	1564	0	0	0	0	2890	0	0	0	0	0	0	8107	0	0	0	4244	8378	0	0	0	0	0	0	0	0	0	0	2558	0	5377	0	3847	0	10339	3143	17997	0	0	0	0	1589	22257	0	0	0	4486	3842	3983	20875	0	5041	7362	0	44657	8882	0	5845	2924	0	962	5802	0	10939	0	0	13514	0	0	0	4097	0	0	0	0	0	0	0	0	0	0	0	0	6132	0	0	0	5878	0	0	0	0	3870	2729	1386	0	0	6219	0	0	246920	0	0	0	0	2147	Lipid	0.45	2.15	0.05
20	C20 H43 O9 N1	442.30106	442.3014	-0.22989392	442.30096	0	1546	0	0	0	0	0	0	0	0	0	0	0	1673	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1251	1721	0	0	0	0	0	0	0	0	1956	1215	4183	0	0	2564	0	0	0	0	0	0	0	16258	31042	42378	2606	0	0	0	0	0	0	0	0	523	0	0	3273	0	0	0	0	0	10462	0	2561	0	0	9041	2421	0	0	2113	0	0	0	0	0	0	0	0	0	7441	0	0	0	0	0	Lipid	0.45	2.15	0.05
24	C24 H43 O6 N1	442.3163	442.31662	-0.2673142	442.3162	4643	3559	3762	4240	1541	2373	105534	2248	0	1618	2323	1208	0	16985	0	3790	3103	0	2341	0	0	0	1272	0	0	4596	91993	4685	1512	2113	0	2251	2112	1400	0	4594	1434	2087	3408	0	2607	0	1981	0	0	0	0	0	1853	1302	3195	3636	1631	0	1253	3478	743	0	0	6359	3832	0	5029	0	5387	6421	6083	4417	0	0	0	1434	1389	2503	2165	2679	0	0	1529	3690	1053	1675	19413	24070	0	4352	1203	1520	1741	3433	6501	5850	0	0	2068	0	3289	4785	1576	0	0	0	0	2773	2338	2459	0	0	1799	2075	Lipid	0.25	1.7916666	0.041666668
12	C24 H43 O6 N1	442.3163	442.3166	0.07800959	442.31635	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1101	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2915	64854	0	3942	0	0	0	0	0	0	0	0	0	0	2011	0	0	4674	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.7916666	0.041666668
26	C24 H43 O6 N1	442.3163	442.3166	-0.2519023	442.3162	3679	0	4481	3554	4448	0	84397	0	0	1564	4077	0	4543	6599	0	0	11179	0	5350	0	0	0	0	0	0	0	69325	9496	5073	0	0	0	2627	2580	0	0	3993	2470	7635	0	0	0	0	0	0	0	0	0	3445	0	3927	2613	0	0	0	0	0	3807	4275	3675	0	2993	5163	0	7420	7190	10741	5749	0	0	0	0	0	0	0	3616	0	0	0	6661	0	3198	14750	9535	0	0	3013	0	0	1517	15998	12751	0	0	0	0	3707	0	0	0	0	4450	0	6182	10248	1971	0	0	0	0	Lipid	0.25	1.7916666	0.041666668
28	C20 H10 O12	443.0245	443.0249	-0.105588675	443.02444	5043	6280	5036	6671	14676	5397	1841	0	11083	0	0	2266	23046	6550	4920	3568	0	22946	24576	0	0	4448	4608	4330	0	0	2508	0	0	0	2209	0	3608	0	1172	0	2324	6324	1258	0	1290	3319	0	0	0	0	0	2395	0	0	6116	5302	8063	0	13045	10032	4106	3358	0	998	2438	0	24993	14418	4001	15334	5962	2011	0	0	0	0	0	0	0	0	0	1972	13832	0	11848	0	0	0	19474	7419	9311	6515	5813	5271	0	0	4400	0	2094	0	5556	4052	6934	11789	17841	4645	1330	0	0	1889	10339	0	3743	23766	Phytochemical	0.6	0.5	0.0
28	C21 H14 O11	443.06088	443.0613	-0.1398156	443.06082	7930	8827	8762	7693	16318	7328	2964	0	21749	7617	2906	2344	35549	10576	3490	2938	0	29199	27536	3686	4588	16055	6445	4453	2993	0	2673	0	0	0	1424	1321	4236	1012	13950	0	4422	4984	1515	3902	5606	6344	0	0	0	6001	5513	1288	1135	0	11757	8788	12454	0	22469	15225	7566	3129	1702	2924	3002	3331	36481	18211	5875	25843	7043	2048	0	2680	3820	0	930	0	0	0	0	2828	15940	7562	16915	4039	1618	1870	27376	12841	13258	6403	7339	3152	2804	4147	4710	14423	19433	0	9192	6482	14139	19728	22726	3836	2229	0	3561	2423	16461	0	3642	34094	Phytochemical	0.52380955	0.6666667	0.0
22	C21 H14 O11	443.06088	443.06143	-0.07274252	443.06085	13792	13702	11176	8233	28184	15026	3851	0	27833	16196	4919	4566	43761	0	10043	3939	2164	43175	28589	9038	10879	27119	11165	4177	5020	4166	3774	0	2544	1821	2170	0	7319	3440	12614	1232	3896	9415	4285	8386	5333	8335	0	0	549	8573	16304	0	5114	2832	12388	12655	16360	470	30456	30879	16219	4874	3351	4622	3869	3885	59431	33465	14027	29043	15899	3937	2269	3111	6178	0	0	0	2441	0	542	3081	25608	17002	18981	9674	0	4550	43700	22023	17784	11942	14000	7929	3464	6659	5962	28176	32457	0	11519	15287	23739	39229	31460	4966	3313	2628	7649	4100	23937	0	5447	42782	Phytochemical	0.52380955	0.6666667	0.0
14	C21 H14 O11	443.06088	443.06158	0.05928729	443.0609	7325	3478	9829	12402	19845	6841	0	0	23490	18488	12854	3445	24904	3914	4624	0	0	13673	17416	9021	18293	38557	5618	0	2278	1644	3352	0	0	0	0	0	0	0	33594	0	0	3499	1984	4317	14238	3340	0	0	0	5434	17313	0	0	0	12672	11009	9078	0	18365	17538	9313	1826	0	0	0	5305	38678	15427	6440	24177	6681	1880	0	0	7666	0	0	0	1273	0	0	2031	8074	0	7048	9745	1401	1880	23763	7876	6318	5137	6692	6312	0	0	3054	36916	27694	0	12402	5193	19291	28760	22586	0	2366	0	0	1629	16865	0	1113	24314	Phytochemical	0.52380955	0.6666667	0.0
24	C21 H14 O11	443.06088	443.0613	-0.08838182	443.06085	11307	10266	8978	10390	21889	11224	3455	0	24258	7088	3678	4719	38510	13233	7350	4938	1278	34263	25655	4370	5520	17644	8918	4328	0	2160	3577	979	0	1611	1281	2141	4494	1017	16816	0	4458	7486	3365	3393	3516	5002	1870	0	0	3027	8728	0	2219	0	10596	11269	13535	0	25078	21625	8924	2629	1981	2752	3693	4408	43324	25463	7738	25808	8049	0	2341	2898	3338	2097	1073	0	0	1766	0	2019	21101	9482	16609	5501	2249	2193	33714	19443	15079	6699	8893	3418	3503	4179	7393	23459	31455	0	9605	9713	13423	21895	32012	4193	2232	3508	5781	3380	17460	0	4231	40963	Phytochemical	0.52380955	0.6666667	0.0
20	C21 H14 O11	443.06088	443.06143	-0.06584116	443.06085	17186	18984	14854	10806	33951	18378	6210	3414	36751	18687	5989	3592	53876	17060	10519	6513	4180	43506	37981	11437	13538	37669	13390	5421	3441	4914	5723	3336	2593	2619	1792	1716	10094	0	29484	2545	7289	5958	3108	10094	12134	8566	1341	0	309	11773	20465	1077	5480	2507	17370	18273	21527	370	35723	35996	20643	5059	3201	6072	6010	5153	66572	36342	17457	50308	11764	5109	4839	4326	9108	2165	0	0	1551	2385	531	5482	24179	26838	22013	9018	2716	0	49117	24000	16928	13545	13237	9793	5406	7835	6201	36671	29664	0	20718	12477	29697	48290	51853	3087	4355	6299	17593	5801	32398	0	7146	55881	Phytochemical	0.52380955	0.6666667	0.0
16	C21 H14 O11	443.06088	443.06143	-0.026228804	443.06088	10088	14104	10573	15813	30648	11908	4027	0	32781	19101	11466	3175	53121	8670	6350	4358	2462	31427	32975	14237	23148	40702	9472	4811	2161	2718	1378	5215	0	0	0	0	4754	0	42664	1576	4414	4973	2391	11314	20302	6360	445	0	0	15107	30322	495	2288	1492	12474	18896	17021	0	26512	27124	15430	3119	3907	5074	0	11417	63576	32071	12946	35971	11663	2080	7850	3794	11049	2205	0	0	0	1789	0	2865	15602	25750	13322	17106	2487	5001	44226	13609	10996	8271	12522	0	0	4743	0	57818	41341	0	12703	12757	29334	40616	34464	6105	3787	4859	15135	0	27036	0	1742	44058	Phytochemical	0.52380955	0.6666667	0.0
18	C21 H14 O11	443.06088	443.0614	-0.10742554	443.06085	19418	14752	16601	17896	37517	22468	3880	3403	36473	23799	13064	4689	67590	15574	7005	5262	1766	41272	39790	15953	21323	48191	10612	5404	3551	2242	4005	4219	0	0	1404	0	4819	0	30909	0	5962	8284	3034	13086	14721	8072	1017	0	0	16187	21366	636	2252	2403	26048	16602	20365	0	41433	33618	17128	4804	5060	5207	6307	12405	69527	35080	17116	48017	13553	4084	5053	3475	11941	2430	0	0	3234	0	0	5600	19786	33713	20005	22297	1745	4039	47247	22856	21312	11277	15300	10489	0	8055	7769	54139	50619	0	17432	13610	38541	46220	49953	8509	4118	2339	19271	4323	35407	0	4967	60961	Phytochemical	0.52380955	0.6666667	0.0
26	C21 H14 O11	443.06088	443.06134	-0.17189094	443.06082	10437	10634	9636	10798	23140	11911	2022	0	26705	8581	0	3131	39751	11444	6313	0	0	38512	32102	5373	0	16360	8156	0	0	0	2284	0	0	0	2240	0	3597	0	15211	0	5753	3053	0	3006	3956	0	0	0	0	0	0	0	0	0	10543	11221	15144	0	29741	16243	7694	0	0	0	5434	3178	40540	22736	7391	23625	5967	2387	0	5418	3350	0	0	0	0	0	0	0	17218	7827	15717	3390	0	0	25271	11160	11357	5671	9390	3158	0	0	4535	22246	23819	0	10865	11805	10926	21151	23046	0	0	0	0	3466	16722	0	4197	37740	Phytochemical	0.52380955	0.6666667	0.0
18	C20 H14 O10 N2	443.0721	443.07275	-0.010356595	443.0721	5498	4708	9850	8164	8358	4808	0	0	10544	8016	4200	0	15080	1950	2956	2966	0	10490	0	9584	15184	26220	3422	0	0	0	0	0	0	0	0	0	0	0	19000	0	0	0	0	21468	17262	6516	0	0	0	5874	18832	0	0	0	0	5226	3722	0	7812	4070	2196	0	0	2874	0	9987	18126	11084	5912	4334	7670	3018	6262	0	3886	0	0	0	2456	0	0	0	4522	17630	3768	8928	0	0	9544	0	4672	6856	7252	5986	0	4114	5498	28486	31342	0	8186	4996	6376	8518	8800	4010	2442	0	8782	2926	0	0	3386	18638	Phytochemical	0.5	0.7	0.1
8	C17 H18 O10 N2 S1	443.0755	443.07626	0.0606052	443.07553	8736	10634	5640	6620	23309	6992	1652	2816	39305	4942	6757	6988	53087	3724	2244	4342	3712	22038	21414	5212	5756	15534	7182	0	0	0	1232	0	0	0	2060	0	2614	0	8856	1858	2058	3576	2522	2916	4124	11468	0	0	0	5348	6660	0	3040	0	8834	13156	17058	0	24158	33526	11732	2978	2260	4150	0	0	76367	36599	9062	40091	13046	6474	0	0	0	0	2822	0	3292	0	0	3210	11426	0	7963	1830	0	0	33402	0	6930	10204	9499	8348	0	0	3362	18122	0	0	8806	10636	30452	66234	45000	5824	5020	0	0	4526	21856	0	0	58427	Organosulfur	0.5882353	1.0588236	0.11764706
10	C18 H18 O13	443.08203	443.08267	0.007934843	443.08203	11867	14248	13328	7987	26401	12238	1917	2697	32179	6507	8733	5693	53922	8430	4950	5252	5368	26148	28020	4170	10078	15973	10449	3735	0	0	1681	0	1123	974	2278	1642	4060	1446	6661	0	3721	5449	3888	2973	6754	12105	0	0	0	3656	10557	0	2913	2692	13920	9575	17307	0	31737	31143	13080	4702	0	6916	0	4086	63346	39237	10305	33326	11449	4423	0	2036	0	2991	2453	960	3488	2978	0	4257	8902	5593	7707	3567	1072	0	36559	10862	8858	11414	12371	8293	0	2683	5351	22724	9903	0	9759	8303	28084	50200	34598	5408	5238	3374	0	5698	24192	0	2364	61477	Phytochemical	0.7222222	1.0	0.0
6	C18 H18 O13	443.08203	443.08292	0.14122902	443.0821	3879	2454	2505	6204	12012	2793	0	0	9594	0	0	0	30933	1686	0	0	0	8997	13989	0	2619	0	2667	0	0	1737	0	0	0	0	0	0	0	0	0	0	0	1452	0	0	0	2982	0	0	0	0	0	0	0	0	2220	2616	7950	0	7086	16395	4401	0	0	2607	0	0	38745	13224	6576	13872	1512	0	0	0	0	0	0	0	2913	0	0	0	3558	0	2358	0	0	0	19017	4824	1785	0	0	2943	0	0	0	4596	0	0	3321	2151	9159	31452	29181	0	0	0	0	0	11571	0	0	30264	Phytochemical	0.7222222	1.0	0.0
8	C18 H18 O13	443.08203	443.0827	-0.09042318	443.08197	13104	15951	8460	9930	34594	10488	2478	4224	57543	7413	8718	10482	77916	5586	3366	6513	5568	33057	32121	7818	8634	21531	10773	0	0	864	1848	0	0	0	3090	0	3921	0	11736	2787	3087	5364	3783	4374	4983	16008	0	0	0	8022	9990	0	4560	0	13251	19734	25587	0	36237	49371	17598	4467	4461	6225	0	0	111592	53571	13593	58143	19569	9711	0	0	0	0	4233	0	4938	0	0	4815	17139	0	10767	2745	0	0	50103	0	10395	15306	13719	12522	0	0	5043	27183	0	0	13209	15954	45678	98567	67500	8736	7530	0	0	6789	32784	0	0	85269	Phytochemical	0.7222222	1.0	0.0
24	C24 H19 O5 S1 Na1	443.09238	443.0936	0.42557025	443.09256	0	0	0	0	25968	983	0	0	0	0	0	0	9622	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2068	1361	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3008	0	0	13742	2392	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1508	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.20833333	0.7916667	0.0
14	C22 H18 O10	443.09726	443.09787	-0.08209717	443.09723	46638	49894	32848	40671	48992	24276	12928	11714	50912	159610	98320	12946	61703	23736	14509	14275	9355	44797	51340	82481	86423	102861	21408	17036	11653	60220	13457	60603	10261	10034	11572	10688	15697	10636	198444	7692	13477	15990	13558	52404	82013	16767	0	0	0	63601	86856	0	13011	12011	39815	43216	28236	0	47071	33619	22016	21945	15907	13466	0	38784	78893	46520	22737	47532	22265	15194	85035	89198	111168	7488	7200	2862	8790	11693	0	11015	32778	61326	32746	55311	12187	34973	54598	29655	30324	21048	22258	21121	17583	29569	24300	109358	97574	0	33373	31588	52338	54631	51169	14082	12437	16875	63760	13658	38974	0	13608	58651	Phytochemical	0.45454547	0.8181818	0.0
10	C22 H18 O10	443.09726	443.09793	0.014177926	443.0973	6729	7636	6655	8616	11412	3742	2590	2046	11149	23541	18082	1797	9658	5288	3700	4331	1830	8429	9883	14627	21975	17253	3764	2746	1478	13620	3460	6740	1173	2487	2377	3647	1703	1670	35863	0	1315	3209	2884	8922	15498	2986	0	0	0	10157	16404	0	1221	2437	10532	11013	4467	0	7852	7157	4814	3383	2396	3979	0	4424	12048	8516	3476	7687	4009	4108	20481	12773	29272	1544	0	1683	2956	2843	0	2129	8791	8381	7913	8221	2345	4127	11474	4603	8270	4786	4532	4567	0	4224	4843	18639	12383	0	7984	6474	12560	10432	8995	0	2222	2601	0	1908	8385	0	2656	10208	Phytochemical	0.45454547	0.8181818	0.0
20	C22 H18 O10	443.09726	443.09778	-0.11859328	443.09723	56652	60144	55314	52578	79603	43297	17906	9359	87678	168019	71539	13992	109621	48066	16889	14588	9549	86505	91368	101801	95365	95316	29299	17532	20140	70915	14058	45928	6877	7526	7871	10484	20231	7702	176221	4691	18953	19441	11197	65634	63406	21923	2243	0	518	90819	92835	694	15656	7383	55013	53408	45245	512	75323	72951	36205	19225	22266	12025	16807	51415	136410	72739	29894	89722	27412	7306	68557	92676	92530	8112	4599	3315	4439	9374	497	15700	46246	75092	35262	68520	11417	56281	88822	49439	41938	25019	25110	13100	38724	34047	31301	111348	119044	643	48833	57693	73228	72024	82186	20276	9369	22642	63372	20073	63021	1080	19777	123782	Phytochemical	0.45454547	0.8181818	0.0
24	C22 H18 O10	443.09726	443.09772	-0.14075238	443.0972	16301	17801	16207	16069	31531	12331	4791	0	32713	44131	11748	2770	43730	22147	5690	3046	2344	33209	31959	26737	20021	38925	10160	4751	5095	18950	3661	10358	1613	0	1210	0	4050	2275	56214	0	4487	5517	2733	15291	18529	4651	0	0	0	17154	28309	0	2450	1368	16540	16080	17856	0	37230	28964	9382	4862	7012	2784	3421	11293	49014	24064	32821	23767	10453	2607	20801	32787	33496	1015	1204	0	2007	991	0	3129	24509	26228	19354	16710	3753	9919	38121	21182	13099	5966	8032	3578	5900	9786	4479	45257	56522	0	17303	12464	22320	30167	36517	5428	3355	5606	18389	6592	22229	0	4807	52818	Phytochemical	0.45454547	0.8181818	0.0
28	C22 H18 O10	443.09726	443.0977	-0.16737129	443.0972	10247	9520	6369	7431	14951	7335	2301	0	16455	20387	4516	1942	27497	8542	3261	1856	2132	18761	17417	8914	12294	16377	5094	3409	3180	8032	2103	2863	0	0	1024	0	3307	0	21474	0	1789	2799	2024	6755	7584	3181	0	0	0	7923	10319	0	1157	0	7955	8339	8710	0	15871	9998	5074	1692	1700	1931	3379	4675	20061	14998	5619	14269	3931	0	10674	16961	15868	1191	0	0	0	1190	0	1359	10082	11766	7686	4302	2659	4123	16622	7329	8810	3167	5177	3352	5701	3902	3977	17968	23138	0	7748	9036	9381	14296	16853	2752	2126	4111	5235	2207	10441	0	3259	22478	Phytochemical	0.45454547	0.8181818	0.0
22	C22 H18 O10	443.09726	443.09775	-0.14248207	443.0972	28440	27091	24242	35200	45505	31600	8589	5416	52259	86357	35053	8326	61546	34327	15106	12877	5181	61271	50769	51920	49308	63429	22813	10221	14269	35212	6107	17789	5209	1899	3288	4382	7422	3667	96123	3890	16303	12986	5226	30408	28378	11665	3170	0	0	38835	46887	0	4583	2859	28284	27066	31874	642	51210	46589	20791	9297	12025	6251	9388	26678	87506	38724	19283	48836	19098	5999	37706	60314	53011	4390	1575	0	3016	3263	489	6295	28999	42504	24452	34429	9624	21796	68845	33156	27881	15566	21634	8841	11399	19889	9930	64980	84555	0	28123	29612	47541	55064	49126	6878	3560	10804	34916	4818	44455	0	12879	76888	Phytochemical	0.45454547	0.8181818	0.0
16	C22 H18 O10	443.09726	443.09784	-0.06737354	443.09723	75720	60803	61561	69335	84490	40800	17260	15274	94088	205126	113243	14976	110678	38216	26449	21732	15043	96486	101325	128484	119637	136575	32838	25976	18067	94557	19232	65097	14431	9823	14246	11254	24457	10409	271870	13808	27047	26880	16237	89140	83442	27139	1876	0	273	85244	116808	742	18655	12366	61006	64879	56515	314	72650	71208	34382	27874	18590	21272	27420	58591	132969	66553	34213	90774	43322	12289	101823	125335	132839	10606	8878	8149	12052	11178	0	16631	60753	92533	42243	93215	19603	55619	82043	44950	44932	29027	31554	0	31291	45902	0	136188	154886	685	58406	64190	83047	83155	72525	23738	16618	23899	66505	18087	60197	387	20518	123219	Phytochemical	0.45454547	0.8181818	0.0
12	C22 H18 O10	443.09726	443.0979	-0.06161839	443.09726	21209	25428	22300	24365	18664	14374	6040	6208	27085	67810	51103	7157	24568	10659	7233	11503	8348	23506	25139	44908	50733	45166	11854	10655	3769	32205	7398	15375	3469	5081	5312	4162	8189	5252	82793	3381	8824	7439	6824	23615	48750	5392	0	0	0	32536	57554	0	8042	6025	18695	18916	12918	0	26389	19859	11279	12018	8618	8407	0	16905	34263	23344	10405	24858	11505	7027	61275	40208	67071	5671	3111	2813	7260	5323	0	4614	17748	33619	13999	33988	4999	14670	28715	13710	13006	6811	9333	11811	8339	9909	13764	45402	50945	0	15957	21195	26679	26868	28039	12646	5687	6545	24409	7026	21561	0	5149	28134	Phytochemical	0.45454547	0.8181818	0.0
26	C22 H18 O10	443.09726	443.0977	-0.16484213	443.0972	10510	12062	11517	9479	16681	9049	3401	0	23211	25677	10699	0	35282	10616	0	0	0	32825	19212	16697	16910	26743	8135	0	0	12061	0	3308	0	0	0	0	3138	0	31915	0	4066	3243	0	8675	9266	0	0	0	0	9130	14651	0	0	0	7598	9001	10914	0	25356	18211	7170	3561	0	0	4209	5669	32854	20777	6240	22369	5805	0	10978	19987	21585	0	0	0	0	0	0	0	12996	18621	13751	9680	0	6863	29166	15499	11673	5273	8059	2032	3693	6164	5656	26119	45617	0	13093	11407	10913	19312	16041	0	3226	0	9118	0	14624	0	3848	36365	Phytochemical	0.45454547	0.8181818	0.0
18	C22 H18 O10	443.09726	443.09778	-0.09082226	443.09723	75714	63752	67487	64077	89989	55688	20574	16172	96792	235748	113997	13091	137079	48988	27298	21724	13736	109046	110245	143168	134936	140932	34175	22545	21188	95723	18907	69103	17177	8679	14500	13817	28197	14102	267942	11263	35134	29362	14862	91916	72200	28905	3495	525	387	104397	111024	952	18233	9643	62264	69779	63592	407	96755	77593	41349	26282	25067	15111	25404	72902	158100	84931	40654	112036	42644	12597	100256	123301	153925	11778	10995	4666	10682	10438	450	16278	57662	102985	41413	105426	11270	63374	97020	56861	51305	34940	41472	26850	44153	40198	34464	137286	175884	565	69408	67209	81585	88838	85345	22608	15310	28525	67421	23708	69286	461	22502	131527	Phytochemical	0.45454547	0.8181818	0.0
24	C13 H22 O11 N4 S1	443.10785	443.1076	-0.49505255	443.10764	2771	5722	3031	2943	2021	2749	1777	9126	2853	7591	1232	2939	4799	2462	4668	2043	2820	3127	1657	1934	1844	6464	4366	3835	1759	0	1287	1288	2246	0	9500	0	15202	892	5709	2158	3729	3753	1609	3111	3456	34611	0	0	0	5608	8716	0	3906	0	3016	3081	2235	0	2448	1344	1166	3921	1274	939	1289	3595	4217	3035	0	2651	2858	1623	0	2177	2298	788	0	0	1991	936	0	8302	4787	4740	2614	2120	1248	2626	2833	0	2776	1682	2616	3126	3663	2170	4197	6537	12414	0	4715	3417	0	1855	0	7989	3757	0	4284	3240	0	0	2956	4556	Peptide	0.84615386	1.6923077	0.30769232
18	C21 H18 O9 N2	443.10852	443.10907	-0.0869143	443.10846	15883	16153	13385	10139	11613	8346	3749	3738	12986	44267	18844	2593	24961	8127	3050	4644	3570	17915	12739	22232	26380	38771	4817	3698	5369	12412	2665	8182	4402	1974	3385	0	5697	0	43915	2250	5965	3946	5252	33771	36991	7525	0	0	0	26166	31332	0	8377	2471	8575	11204	8306	0	12482	7022	8269	4454	5581	8341	6838	20323	47834	14270	6584	17866	7470	4483	16245	20257	28592	1263	1531	1656	2477	0	0	2651	10438	26675	9738	23327	3554	18043	16586	4770	9144	8957	6445	9735	11016	11703	13972	35312	43953	0	14652	9554	7923	13578	11437	6225	4230	3306	31058	5278	9090	0	5976	20628	Phytochemical	0.42857143	0.85714287	0.0952381
20	C21 H18 O9 N2	443.10852	443.10898	-0.16902584	443.10843	6480	14217	15499	12528	15003	11821	9034	2011	15328	24272	20504	2702	13740	5384	7211	3391	3569	8653	20492	7352	18179	36511	3715	5250	3318	24363	2378	10175	6007	1567	1341	4252	4491	6564	31213	0	3647	7437	3523	23240	28346	11542	542	0	0	18144	20147	0	3336	6194	6005	9462	6450	0	8297	11076	2545	9791	3668	3270	3618	19156	20490	10941	5300	10497	3962	6223	29713	24496	36823	2297	7316	0	1919	6405	0	7600	9578	15991	11259	10091	6719	12002	15865	2380	14455	3471	9331	20755	5151	8559	18945	29290	41515	0	13978	5705	2999	4668	5535	8900	7834	3593	8607	5001	10031	0	6522	21226	Phytochemical	0.42857143	0.85714287	0.0952381
16	C19 H22 O12	443.1184	443.11896	-0.092807345	443.11835	104519	94958	87898	90707	108847	96256	37076	76185	154820	134180	67809	52386	220711	44344	83602	50106	33157	203660	167720	118566	141448	152307	88822	70172	38106	29086	33828	35227	59279	51756	68617	68253	88531	50668	194262	52908	93273	60295	39347	96475	75195	60733	2419	0	373	132227	165439	0	67471	59907	94099	99357	98553	387	213323	87559	49576	67334	91840	40517	61816	101435	220037	166046	42153	121568	77801	37849	47241	77133	52108	63599	56781	56055	40004	53838	339	66143	63634	70293	55262	130854	32295	36678	85299	52354	49503	46753	60291	53004	41484	84370	64440	100169	101007	666	83815	86849	92303	66807	58675	67984	54725	57298	113981	69073	83098	451	36279	228590	Phytochemical	0.6315789	1.1578947	0.0
10	C19 H22 O12	443.1184	443.119	-0.07268263	443.11838	59092	51046	52787	43184	52169	38702	23830	37983	72517	87312	66441	35961	186472	20494	34030	42906	36681	72656	74893	65181	84706	90856	45461	44761	11818	9299	26442	23434	27646	29008	27880	30743	38242	29838	108230	30827	42624	31026	40160	37447	66522	30185	655	0	0	45276	88559	0	32592	35100	59058	52469	42587	0	84678	53900	30573	35743	32266	37806	46037	39784	215490	75157	33513	67649	38753	41984	29458	17485	31024	32164	31989	28937	35201	27514	0	23256	40573	43897	41889	38389	18217	15630	70628	30733	38807	32418	30105	33172	15675	32705	39884	84026	67615	0	52305	59368	61358	60193	61383	47975	28853	37467	45386	36584	56087	0	20724	212472	Phytochemical	0.6315789	1.1578947	0.0
22	C19 H22 O12	443.1184	443.11908	0.20585299	443.1185	7557	4999	3644	6704	5520	11901	0	6505	8459	9613	7974	2479	5093	0	5818	0	3281	8937	7258	12860	9899	7181	3041	4653	3803	0	0	3806	4076	3191	3027	0	7050	3073	8359	3000	5959	6000	4507	11932	0	3759	0	0	320	15646	22579	0	4363	3132	6741	5851	4781	297	12482	4047	2105	4580	3615	3172	3857	8336	9514	5328	0	4981	0	2818	0	6948	0	5099	4996	4364	2233	4415	406	5470	5751	7667	2334	14747	3465	4873	6275	4796	5858	3479	4635	2392	7360	10159	4281	8120	10554	0	6871	7707	6825	4643	2824	2776	2553	6106	17840	5592	4069	0	3332	10469	Phytochemical	0.6315789	1.1578947	0.0
18	C19 H22 O12	443.1184	443.11896	-0.09033727	443.11838	43539	49590	44569	55406	50758	55730	23967	48003	75383	67269	51256	34917	117851	25416	40093	32961	17261	90292	83262	69697	114765	84902	45713	43511	29310	64869	13088	34367	30378	26004	39331	30220	57184	31647	111589	36890	59043	35420	25111	54102	58691	34009	1483	0	0	102418	96047	0	42869	38024	67200	62672	45673	390	117031	46825	32832	38702	45362	23595	33951	62100	94134	85104	27177	60261	46679	23691	50329	61544	67254	40760	39568	35998	28870	32039	424	36220	41789	60055	36817	84467	24120	37536	43774	38165	22225	35950	36236	13101	35487	55274	50671	52297	51911	0	45486	54630	47703	27536	32195	38746	31900	39722	84114	47681	51783	0	18798	127023	Phytochemical	0.6315789	1.1578947	0.0
24	C22 H22 O6 N2 S1	443.12714	443.12756	0.1516448	443.1272	0	2488	0	1943	0	0	0	0	0	0	0	1563	0	0	0	3215	5043	0	0	0	1313	0	0	3031	1335	0	1708	0	0	0	0	1283	1569	1236	0	0	1220	0	5585	0	0	0	0	0	0	0	0	0	1085	2827	0	1273	0	0	0	0	0	0	0	0	2875	826	0	0	0	0	0	4375	0	0	0	0	1492	0	1647	2215	0	1753	2172	0	1268	0	0	0	0	0	2030	1854	1059	21293	0	0	5540	0	0	0	0	0	0	0	0	0	1151	0	0	4969	0	0	4048	0	Organosulfur	0.27272728	1.0	0.09090909
10	C18 H22 O11 N2	443.12964	443.13025	-0.10163989	443.12958	36161	32442	31622	32018	20226	16155	16995	34934	38748	31488	22933	30604	46258	6207	28297	28805	38789	43047	36563	31436	41018	51475	32886	33992	8741	2009	19285	7597	24295	25381	25351	29577	41158	22182	37133	25860	46173	25543	30005	34390	43019	28304	0	0	0	30239	46654	0	29366	33207	32527	32270	20959	0	49791	25261	19303	27964	30157	32062	30816	25233	46905	46612	17194	36663	28973	42947	0	4593	8577	31753	26601	26222	21444	25509	0	27030	24335	15917	21266	21327	10614	5774	24424	17345	23608	29060	32029	37751	6823	25974	61103	31715	21734	0	36503	38652	19238	16740	22371	44054	28211	31252	31144	42643	22256	0	13827	58728	Phytochemical	0.6111111	1.2222222	0.11111111
8	C18 H22 O11 N2	443.12964	443.1303	-0.100323364	443.12958	239858	301763	236057	298686	270442	170405	126637	185372	340068	431018	356102	250933	488919	89184	143376	269310	282272	374336	435190	320301	380245	424537	242390	256386	55617	43408	143789	75659	170860	157862	146847	195612	216242	131515	434021	151535	243117	205292	344995	259360	529951	198113	0	0	0	215688	480051	0	163966	224116	257857	304431	218937	0	422721	294660	178267	199158	153795	286525	211540	202195	575880	379692	160590	319024	231805	280228	118669	91968	151503	204643	167156	183385	213703	171037	0	167353	275382	137943	223913	153673	87699	67965	345346	142396	205025	184546	207253	295786	0	115696	333435	316947	309311	0	257844	274756	272645	379480	333741	293594	176165	203193	200586	226559	273980	0	124750	561837	Phytochemical	0.6111111	1.2222222	0.11111111
12	C18 H22 O11 N2	443.12964	443.13028	-0.052329257	443.1296	71574	59574	61260	58276	39876	40606	37916	68614	52236	55548	47388	56728	67344	17408	58703	47866	67848	84128	88025	50246	77983	90982	84962	70688	24652	3117	20154	0	58842	46110	56611	54654	77772	48266	70415	51172	60058	57758	71380	48554	88910	53562	0	0	0	62052	70674	0	60152	63856	53314	64068	41112	0	107452	48486	35900	57244	64426	66868	35708	65782	97620	82934	28500	64383	51646	67310	0	10324	15464	50856	47854	45914	43310	35670	0	51186	43470	37548	35156	36452	23826	17516	47244	40102	38676	45474	58192	92024	17556	56625	108709	59336	38664	0	71584	63270	35924	26872	40058	81764	60574	41046	48904	67946	34804	0	26746	113052	Phytochemical	0.6111111	1.2222222	0.11111111
18	C13 H27 O11 N2 S1 Na1	443.1306	443.13083	-0.34532925	443.13046	10525	11339	5556	3860	10013	3429	6410	6698	8721	11210	10270	4326	5043	0	6989	4452	7337	5878	5989	10310	5240	10588	6488	11954	3998	9078	0	7401	0	3320	6840	4197	3148	0	20521	3990	6891	4714	7394	4787	8531	2898	0	0	0	3966	11737	0	3833	5097	3818	2677	4820	0	7325	3092	8130	9264	8595	7723	9326	14873	9234	6438	3251	4377	5634	2085	7852	7516	15167	11324	3154	3488	5264	0	0	3783	6418	2831	3618	8959	2855	8475	6803	3157	0	11190	0	9761	5756	14620	11811	7915	11958	0	3201	4160	9347	2264	3948	11003	3643	9087	5738	3768	2442	0	8087	6790	Organosulfur	0.84615386	2.0769231	0.15384616
12	C23 H22 O9	443.13367	443.13428	-0.059003018	443.13364	50300	47477	45183	37588	25397	17234	27091	30881	28209	85078	69830	19938	25286	13654	20063	31851	30245	26944	31939	79894	73717	51506	23093	36958	12738	66995	15805	39589	23481	25247	25563	30507	21581	23784	91587	22677	20656	21745	25102	53945	81394	14618	698	0	0	51414	77301	0	31062	33182	41265	46932	16981	0	24006	19789	16640	34467	22198	34531	44937	34975	31983	24087	15651	25680	17147	29585	88274	90288	105913	25188	21699	19539	27223	25030	0	21709	29809	24592	29961	49300	23842	40003	32648	17782	29401	14640	15098	40396	22221	33444	29352	41303	46052	0	35641	44467	33528	29258	25319	22773	15918	38433	38206	22505	26240	0	21866	34040	Phytochemical	0.39130434	0.95652175	0.0
20	C23 H22 O9	443.13367	443.13416	-0.09338216	443.1336	151426	151480	143138	130503	158710	110183	38625	65644	179677	456477	242749	42796	223297	109927	61807	70359	34323	189012	189754	318638	334416	224959	73638	70229	60027	384035	42676	193361	50565	37360	41649	47436	75301	50817	552513	42853	77287	56967	39453	226661	178969	63451	5114	727	750	219479	209987	1079	61389	42957	145388	154446	116822	1249	169724	138545	75255	78271	72168	42163	69289	153372	236790	139058	71128	161440	90305	36933	306046	478423	449230	58164	46803	29658	27699	48767	472	46848	111014	146680	87175	158472	53356	204331	171581	101193	103018	68808	67311	59431	102338	102718	94478	184231	211801	1574	154320	138407	151552	154866	143361	67185	44019	76975	153050	72069	129927	1562	49207	249977	Phytochemical	0.39130434	0.95652175	0.0
22	C23 H22 O9	443.13367	443.13416	-0.14125371	443.1336	87753	103933	77187	81354	107825	71020	30197	38187	104499	247852	133954	30100	135101	64080	39676	46246	46867	131023	98370	176648	186447	134491	41060	42546	53904	207455	32686	106383	34618	34757	25531	21971	41910	29331	262847	29082	42699	38720	47863	122044	97920	30562	5491	0	783	126446	131540	0	30972	37310	77413	91706	64003	637	103997	83348	40677	46602	31215	21467	54178	91578	149536	95239	50454	98795	48645	49277	191962	301362	262704	39073	16068	13980	27582	33233	651	35131	79078	71654	63602	94622	22559	89494	125873	69256	70294	52629	36555	213566	48649	50773	70315	108400	144322	0	70947	87007	100021	99054	93802	34169	35886	41830	91523	56120	86492	0	57081	155968	Phytochemical	0.39130434	0.95652175	0.0
10	C23 H22 O9	443.13367	443.1343	-0.07603923	443.13364	11590	15419	15256	13375	7333	5579	8203	10687	9036	32557	20021	6485	8523	7076	8954	12732	10691	7436	8468	23114	25607	20649	10771	16494	5948	32733	9903	13463	8696	7484	7666	11893	11460	7260	38089	10279	10027	8108	14259	18610	19542	4818	0	0	0	17453	23768	0	9880	10426	17066	14442	7746	0	12630	8212	4496	11975	8190	12202	13187	10309	12640	8225	5335	9441	6846	14315	23837	31426	40745	11472	9406	7727	10867	10653	0	6942	13542	6480	11367	15074	9118	11414	10663	4433	12822	6123	5754	10164	6669	9830	13439	16769	22192	0	12367	16144	8870	7949	8843	11979	6204	11551	18381	9319	9821	0	8447	8977	Phytochemical	0.39130434	0.95652175	0.0
26	C23 H22 O9	443.13367	443.1341	-0.11904681	443.1336	19238	16877	19158	14396	30924	12654	2430	0	29930	53353	23906	4194	49397	16879	9739	9538	0	26377	26256	46739	44753	31407	10094	10699	7124	42117	3334	15530	0	0	5430	0	6315	4214	52399	0	6513	4754	4673	24515	23885	7750	0	0	0	22104	28577	0	6588	0	16758	19567	19024	0	30845	21041	13071	4380	3630	4725	6977	12888	43966	23016	8318	29110	11631	3188	46889	67994	78382	3965	0	0	0	3848	0	6134	21383	21329	14230	14228	4851	12753	40883	17188	16990	6699	10013	4993	10137	8713	10452	26401	43953	0	20150	19576	14904	35204	27660	0	4455	7263	15335	6116	22313	0	6226	40843	Phytochemical	0.39130434	0.95652175	0.0
18	C23 H22 O9	443.13367	443.1342	-0.10493591	443.1336	168349	176085	164118	164562	159948	108140	56858	83986	165358	564913	310879	51198	233023	103510	78391	95585	52124	199162	213732	385925	388772	240293	103145	102159	69931	447752	59104	237947	76736	61724	67283	73422	97482	67524	640294	75648	101250	67774	58186	261149	225509	69494	5069	553	638	237065	228348	855	86248	65659	169829	176932	118994	781	188537	148887	83405	91189	74900	54786	88719	169648	246862	151743	80087	178780	95347	59768	367222	539716	533042	72720	61472	53360	49468	68821	610	51980	134272	160046	107392	198010	67511	195146	189544	106885	99772	82522	83789	76793	109577	129764	123397	170537	295907	1232	174970	148276	171503	152302	156471	72619	55474	89479	145882	75607	129008	847	74052	212963	Phytochemical	0.39130434	0.95652175	0.0
24	C23 H22 O9	443.13367	443.13412	-0.12463818	443.1336	37972	37063	34258	34688	44243	29513	8991	10090	57907	101565	49828	7453	76890	29305	15939	12737	6048	56793	51880	73097	76221	48669	19312	16716	10947	92623	7340	41570	7547	6763	9093	8199	13851	9098	125398	5499	16811	13440	7206	53099	48386	11668	0	0	0	47619	53363	0	9132	8173	35252	34191	29889	0	54275	43491	20779	14151	11790	8883	13906	35565	76705	43113	17778	53069	21733	6773	81698	112546	127222	9807	6911	3916	4535	8546	0	10939	37271	34697	27935	39806	11490	36091	62681	38058	24670	18616	18469	9294	15406	18747	21281	49930	71108	0	39532	32674	43570	49289	47412	10563	6497	14873	34015	14045	43551	0	16902	76138	Phytochemical	0.39130434	0.95652175	0.0
10	C20 H26 O11	443.1548	443.15546	-0.10101725	443.15475	102668	94322	87090	97904	55040	95900	77508	253040	73176	331424	100952	73727	79330	29164	175828	121698	162296	85704	174464	162906	145236	106276	95890	126643	111681	47112	79648	51860	171300	96511	100348	106885	118780	88984	370296	103144	193172	182007	164992	199028	121814	95014	1406	0	0	218252	228176	0	102546	103018	93128	120790	110188	0	101386	55006	37364	102660	184252	159816	113398	149116	173400	145692	83028	137368	56312	188747	74858	75452	85218	208384	96976	106738	197736	210596	0	76714	176563	56626	80140	160888	70830	93956	135552	49726	92112	92024	121500	170984	63890	165628	205948	160724	97272	0	104634	105144	55818	101552	106260	110770	135864	242400	60036	169924	100226	0	60886	84114	Phytochemical	0.55	1.3	0.0
10	C19 H26 O10 N2	443.16602	443.1666	-0.16033837	443.16595	105012	114770	116322	103760	49944	52379	76658	154360	79738	103514	59928	86786	84826	26316	128039	120504	70896	103552	108498	122662	103980	183106	112287	171433	83237	13128	65960	32598	122690	112216	119298	124796	178436	100834	129936	128604	151290	106203	101330	120994	83472	79924	0	0	0	102970	82146	0	123206	122452	104556	108736	59542	0	128730	43140	48056	129790	158600	81796	134462	90882	84566	88582	42356	86482	73233	91198	18194	31835	27422	142340	119684	129890	69154	99506	0	92550	92748	45298	74302	61136	82374	43314	50660	53642	87078	75367	71776	111862	83008	143950	220338	64540	74976	0	112568	116990	38796	30548	33184	158973	86028	173620	39706	138777	46208	0	68363	101526	Lipid	0.5263158	1.3684211	0.10526316
8	C19 H26 O10 N2	443.16602	443.16666	-0.16484375	443.16595	81104	81286	64914	89528	34090	36040	44626	99944	56672	70172	38412	57958	72536	17864	71063	97822	75232	64494	82026	66090	90864	134904	70121	105232	43256	7078	45098	24422	77082	72114	81682	94242	99138	79300	102072	76698	115956	58430	71050	65668	73170	54546	0	0	0	67442	82212	0	96664	82512	82674	75408	47186	0	86790	34964	36602	80409	86820	57952	86404	57598	84588	65270	29056	63228	52802	78179	11158	13014	26106	83842	76416	72588	46150	76991	0	61345	57990	33196	45510	39296	48240	26218	35532	36742	50978	47978	57416	97382	51496	99680	167844	54290	60736	0	77546	83662	33236	35016	29040	95627	63995	116280	37080	84480	30926	0	47012	95882	Lipid	0.5263158	1.3684211	0.10526316
6	C19 H26 O10 N2	443.16602	443.16672	-0.14488974	443.16595	21376	20598	22002	23860	11302	10031	10724	22447	20604	18516	10195	13915	26632	5625	19442	29606	21005	22902	25931	16807	25950	34588	20855	32377	8855	1777	10749	5403	21644	19710	23023	25348	31562	21553	30020	21738	29711	15206	28633	18834	23255	13433	0	0	0	17584	21805	0	29993	19072	23692	25431	16099	0	28579	11598	9776	25347	19743	19814	27135	14544	31525	22677	10232	20402	16827	30649	3578	3167	4779	21627	20410	19710	10450	19287	0	15073	15448	6082	11797	11848	11453	4900	15301	9850	16668	13510	18148	34116	12422	23935	45509	16925	15580	0	22568	23947	9402	10732	13647	25224	16240	28563	17937	29508	10164	0	9931	29821	Lipid	0.5263158	1.3684211	0.10526316
20	C24 H26 O8	443.17004	443.17053	-0.094881505	443.17	355675	390419	369185	325478	338006	242733	152025	257067	366776	880856	524022	158880	413749	251618	241803	260521	166257	358358	398584	863703	796794	383004	237467	276846	198486	1126248	151020	473622	215064	199763	206232	212864	258980	207006	997880	194882	281964	194942	162445	538569	459812	179652	9190	1700	1038	393543	382332	2464	242326	184069	362007	372177	246256	1525	337734	299486	184438	256782	218597	150161	250832	358344	428855	311855	158866	354599	220249	171596	936588	1433489	1360001	228766	201432	199243	160882	199202	1096	177527	324599	243939	266236	261161	184587	454111	360896	203954	307892	180086	199161	241254	304164	307258	347439	276399	373248	3993	365591	354492	276829	295590	289655	232547	161395	261931	262293	225819	270014	2181	195388	463956	Phytochemical	0.33333334	1.0833334	0.0
24	C24 H26 O8	443.17004	443.17047	-0.13916698	443.16998	109236	98369	96497	106140	124735	80995	24636	56729	128138	244247	155302	38324	180582	77524	57728	60678	37065	141710	147371	248013	233583	105634	75987	71264	49394	326540	31032	139190	45362	34671	50259	49532	61290	45390	291382	42040	74840	44824	40808	156763	131969	48414	6964	2200	0	118995	112601	0	58340	40661	104823	96039	81573	0	128336	118235	56726	65181	51329	37417	65169	108932	159221	98560	50871	133834	73125	36353	271925	408541	402989	51975	42282	41719	34521	40569	0	46440	97727	69520	86068	79929	40165	116361	144514	65280	94225	51398	62874	52647	68591	75919	81081	94512	129468	0	100593	101300	91595	124141	123540	50588	35804	67958	82144	49228	96413	0	47933	155119	Phytochemical	0.33333334	1.0833334	0.0
22	C24 H26 O8	443.17004	443.17056	-0.09652935	443.17	254244	259496	227838	262146	260325	191848	87196	154223	284602	630773	393558	98141	297550	179500	136813	151672	91510	302920	256800	591864	572396	270308	164914	177652	141045	749577	82749	347128	135048	113161	129509	136558	160675	138392	670035	128798	178995	125526	101163	364087	296623	125306	8055	0	1247	282697	256069	0	137533	126802	234367	247934	174103	2064	271320	221771	127928	160543	133317	93638	157617	255361	331254	220339	107889	272434	164898	110103	621268	1096852	929196	144274	105319	105050	70819	124586	1369	120304	227412	145446	182449	190091	115885	255348	268206	156403	202567	129790	130702	135303	191350	228767	200200	201626	286254	0	225113	222882	209121	238195	220243	150435	100081	161919	176500	148006	197376	0	121768	357644	Phytochemical	0.33333334	1.0833334	0.0
10	C24 H26 O8	443.17004	443.17065	-0.11760287	443.16998	16457	11397	10424	11835	4826	4152	8822	15941	8101	13288	9699	9842	6021	6210	8494	13404	10154	4260	9419	18255	18769	13705	10336	17599	8199	16113	14634	11097	14523	14383	11575	13331	12784	9252	16682	12436	8037	9369	14666	20415	14747	5206	0	0	355	12718	16962	0	10796	12326	10449	11871	5138	0	6123	4465	4333	12648	11497	13864	19377	8229	4608	5694	3764	6749	5287	16044	24186	19384	27656	10548	12116	12129	11999	13917	0	8715	15242	6436	11840	13043	11274	10649	6866	5477	13726	4232	6378	17592	9544	8749	11615	6775	11008	0	11089	14402	8165	7361	8439	10584	8519	16580	0	9676	6019	0	9589	7187	Phytochemical	0.33333334	1.0833334	0.0
24	C21 H30 O8 S1	443.1734	443.17383	0.1699218	443.1735	13058	16322	8327	24420	5429	7615	4315	19058	4272	24400	4444	4231	9377	2058	8957	9522	8850	12991	11199	12668	16058	19618	7206	15241	9402	6952	3322	9868	24306	6702	8863	9330	19318	8567	10111	13690	13719	5363	7538	11489	6504	6347	0	0	0	19212	25232	0	9260	8826	9488	7744	6053	0	10304	4036	4021	11622	10287	4250	7973	7079	4996	5287	3963	15742	13162	6375	6484	23910	21194	9739	8363	7452	8427	16118	0	14756	4365	4050	13658	7239	9088	7440	6280	4668	16438	6088	6485	18432	14182	21833	30404	4472	12281	0	9531	10262	5797	5569	3703	8163	5164	22142	11268	9137	4659	0	6222	9431	Organosulfur	0.3809524	1.4285715	0.0
8	C23 H26 O7 N2	443.18127	443.18192	-0.18580717	443.18118	15936	20805	16166	16598	10371	9163	8006	14934	7003	46460	24920	7592	9835	4881	8173	15848	12349	10701	11347	44597	51993	29070	12037	17898	10365	28478	5818	18450	12399	11691	11878	14206	13572	10176	47273	10974	14053	7331	10849	33329	30498	8279	0	0	0	24736	27091	0	16688	13033	18496	17044	7721	0	11686	7616	6272	15262	5301	6916	13153	20827	10224	9473	5284	8991	8323	14979	23808	51731	43252	11881	10573	9267	8505	12093	0	8516	11993	16960	11188	9783	5943	26639	4717	4842	14046	9468	7845	20338	20980	15918	23711	26311	39158	0	16393	18170	7428	8690	9938	13264	7984	17545	0	12117	5828	0	10919	8711	Phytochemical	0.3043478	1.1304348	0.08695652
8	C20 H30 O9 N2	443.2024	443.2031	-0.1632158	443.20233	13661	13819	12743	14200	7196	7632	9654	16632	11084	7741	5962	8103	12195	3699	13961	19349	8284	9482	13855	13248	10162	23705	13738	22991	11831	1923	8765	6048	18803	14800	17090	17366	23518	15463	23442	17796	24691	11289	10758	9619	7755	7091	0	0	0	12894	6506	0	19782	12681	18002	12774	7746	0	16512	5219	5223	20982	15109	7825	24422	5948	12464	8438	3549	11735	9015	9885	0	3189	2035	17433	15675	11937	7057	10671	0	12247	10381	0	7021	5557	8513	4408	4759	5777	12087	5365	10590	17342	0	28246	37518	7811	10903	0	16338	14235	4684	5560	7166	15900	9258	23593	0	17793	5233	0	8956	13515	Lipid	0.45	1.5	0.1
12	C25 H30 O7	443.20642	443.207	-0.15952283	443.20636	24039	26777	19967	20296	8322	9061	25753	21102	9910	11859	14028	11005	5795	5771	16102	31527	35929	8503	13323	22606	20454	17242	16484	22454	13703	14803	29334	10534	19507	25252	16516	22413	21569	12380	14116	24310	16459	16688	26228	10928	16182	9615	986	378	0	19611	25450	505	22641	27107	24400	25915	9114	0	11088	10705	8164	23897	15483	26035	21176	11258	8666	8653	7319	5458	7863	31544	0	20125	21675	12480	16474	25102	34631	21270	253	13798	22103	0	18871	16524	21789	14510	12881	8361	22223	7821	9539	38310	12485	19137	21130	6491	18830	0	22230	27585	11333	10062	10608	23746	15453	26336	0	17239	9672	0	19327	7424	Phytochemical	0.28	1.2	0.0
22	C25 H30 O7	443.20642	443.2069	-0.09911752	443.2064	609883	671138	538095	609965	614855	391828	288806	508629	542764	1076452	833120	316826	551751	387400	434042	542898	352522	627905	605961	1297051	1276635	589176	485361	562230	428440	1898099	268549	785300	457938	442115	431916	472565	533571	423790	1233070	444566	582366	386825	383206	858949	713195	342709	18126	0	1455	531863	497004	3852	497488	439760	607168	596950	463957	3501	571987	478568	319279	518565	401565	305730	521912	558215	624639	493541	245830	528058	392541	394272	1481940	2427890	2182833	435692	409700	383968	297178	453644	1575	357216	599194	357460	492012	368346	359671	566758	598470	385846	534287	383961	393948	458147	541697	591459	640233	417909	567394	4323	546759	593142	437843	523766	476932	534568	329398	571975	349558	451489	461660	3977	397961	660844	Phytochemical	0.28	1.2	0.0
24	C25 H30 O7	443.20642	443.20685	-0.11370333	443.2064	339301	337439	314253	323074	314437	226032	128960	257288	321468	662113	470889	151376	409446	196082	216312	268962	173601	342981	417227	757003	727085	325613	239330	299644	210372	1020571	133462	476141	218568	206722	216330	232694	263396	219526	787137	223745	326689	157382	186169	477055	382824	169592	12690	2440	0	342205	265128	3856	257306	213744	329225	336934	246555	0	346766	308467	159519	272036	222940	140515	274918	328110	379566	273252	134085	355220	223355	193355	866645	1251212	1238001	246743	214360	194446	137603	192303	0	189489	310726	189599	250912	209217	177181	349529	341089	196046	278980	177794	215411	230278	268436	304903	385213	249517	339024	3858	321491	349851	237828	304503	299321	267433	144680	297346	195332	249769	248157	2905	195923	383733	Phytochemical	0.28	1.2	0.0
18	C25 H30 O7	443.20642	443.20694	-0.13816679	443.20636	387116	370145	342317	332132	303015	201900	249597	349343	256787	440526	359851	240312	288524	172734	275137	402062	311258	272292	360790	556652	561515	296129	301012	367166	240374	880804	252616	321113	296773	287991	287765	340831	342172	288604	481806	326294	339647	269018	388086	365257	417147	203691	8086	1309	1062	290632	286469	1247	352338	291342	344184	357303	241625	1523	312397	254511	191729	371169	243710	288365	336290	256341	306670	250022	179550	285188	236676	401156	644644	812996	1155837	260912	229004	292487	327067	341770	547	226010	439940	211837	358975	217935	263107	302621	334898	222372	388669	195329	223827	418877	327997	325082	411519	212467	306510	2613	355444	337640	260912	293883	308401	343018	224408	333805	172008	290388	257891	1375	305040	276429	Phytochemical	0.28	1.2	0.0
8	C18 H34 O12	443.2123	443.213	0.08141153	443.21234	2342	3490	2378	5053	9271	4161	1744	3621	2336	1884	0	866	1449	6472	2726	4230	2415	2107	925	1977	0	2022	1833	3342	4039	0	1282	6259	3461	2113	3224	4481	4413	2791	1459	3011	3479	2896	3004	0	0	6596	0	0	0	0	0	0	3565	3029	2186	5711	7165	0	2781	1008	7456	3876	0	0	0	0	0	3777	3554	3450	7894	4865	0	0	0	2859	2782	1417	1176	2374	0	1802	3846	4156	1230	0	0	0	0	0	3565	0	2652	4226	43317	15262	5689	0	0	0	4850	2155	0	600	0	4361	1839	2267	0	2910	0	0	1649	1817	Unclassified	0.6666667	1.8888888	0.0
24	C19 H30 O8 N4	443.21365	443.21423	0.20013195	443.2137	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2914	0	0	0	0	0	0	0	13511	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2409	20700	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14270	0	0	0	Peptide	0.42105263	1.5789474	0.21052632
26	C19 H30 O8 N4	443.21365	443.21478	0.73414445	443.21396	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14622	0	0	0	0	0	0	0	45218	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9138	62325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14270	0	0	0	0	0	37820	0	0	0	Peptide	0.42105263	1.5789474	0.21052632
10	C19 H30 O8 N4	443.21365	443.21417	0.052308805	443.21365	0	0	2320	2100	0	1980	0	1505	975	2117	0	1693	1041	0	1903	2492	2860	1039	0	0	0	2623	0	0	2314	0	918	5351	0	2942	1376	2501	2740	1504	0	1975	2031	2388	1401	0	0	0	0	0	0	2446	0	0	0	0	0	0	0	0	0	0	0	3428	0	0	0	0	0	0	0	1567	0	3064	0	0	0	1435	1136	0	0	1333	0	0	1035	7212	0	0	0	0	0	0	2512	913	0	3090	30348	11854	5153	1931	0	0	0	0	0	879	0	1569	1623	0	0	0	0	0	1734	2267	Peptide	0.42105263	1.5789474	0.21052632
6	C19 H30 O8 N4	443.21365	443.21436	-0.11380793	443.2136	3727	4005	4098	5368	1858	2631	2824	4785	1610	1657	1411	2298	2430	0	4258	6334	2421	2021	3718	2857	0	3321	2810	7734	4746	0	2096	6303	3763	3039	3891	4757	7757	4108	0	3260	2924	4018	3540	0	0	1827	0	0	0	0	0	0	5059	2985	4760	3372	2015	0	3480	895	1011	8485	1475	0	5642	0	2121	4001	597	1154	2379	4558	0	0	0	4284	3191	3860	1183	3814	0	1974	2744	11713	2087	830	1078	0	1523	1436	3235	2301	2862	4682	46129	14389	10578	2454	1652	0	4172	3946	1011	650	1027	5628	2768	2239	0	4922	1399	0	3348	3089	Peptide	0.42105263	1.5789474	0.21052632
2	C19 H30 O8 N4	443.21365	443.21448	-0.09809837	443.2136	3844	3448	3692	3259	2113	0	3057	5036	2332	578	1087	3968	2943	1276	4484	766	8689	2752	2782	968	1146	4056	5509	3719	1758	0	0	4932	5286	4296	4506	3609	7452	5058	801	4289	4909	4460	12375	0	0	0	0	0	0	892	371	0	4986	2763	4687	3524	1681	0	3184	737	1404	4409	1104	638	1333	325	1764	2743	2997	3812	2675	12376	0	293	0	4410	2935	3326	310	2581	0	2506	6878	22160	5082	0	823	0	1829	3225	5512	3345	3521	11607	41059	24894	8720	2983	0	0	3706	3880	2707	1249	1489	2944	4063	1153	458	4920	1523	0	2861	2573	Peptide	0.42105263	1.5789474	0.21052632
4	C19 H30 O8 N4	443.21365	443.21436	-0.100396276	443.2136	3410	3117	2612	2603	680	2244	2201	4041	1750	0	0	1998	1544	602	3914	5634	8064	2620	3615	0	0	2843	4327	4955	3038	0	1722	3984	2423	2098	2035	3142	3506	2514	1319	2452	3382	4294	8559	0	0	1580	0	0	0	0	0	0	4121	2937	1902	2646	1295	0	2315	1114	1801	3070	1283	0	3641	0	961	1668	2340	2141	1978	10978	0	0	0	2532	2498	3077	0	2284	0	2258	4247	9216	4592	794	757	0	1779	1610	4589	2463	2354	5698	24979	10278	6176	1652	0	0	3099	2264	2443	985	1316	2816	2889	1476	0	3138	1471	0	2555	1559	Peptide	0.42105263	1.5789474	0.21052632
10	C24 H30 O6 N2	443.21765	443.21826	-0.18227996	443.2176	9313	10232	9318	9673	3597	3552	3647	12674	2576	15270	8944	6552	2906	0	6372	11526	10146	3076	4648	26338	22583	12218	7375	12933	8042	16918	6184	11576	8995	9869	8023	9856	11038	9864	19564	9826	13630	4851	8187	22244	9341	5165	0	0	0	8446	9231	0	12415	10370	7772	9268	3898	0	3505	1262	1935	13908	0	2561	12360	6115	1588	2899	2870	3510	4843	12830	9202	20612	20009	9645	8051	8245	8249	9574	0	7022	4915	7796	5015	2753	2351	12680	1566	2632	7014	6240	5526	16066	19585	4555	18570	10921	22199	0	10557	9070	1757	1823	1422	12088	5002	11514	0	13309	1672	0	6458	2610	Phytochemical	0.25	1.25	0.083333336
12	C24 H30 O6 N2	443.21765	443.21823	-0.13186148	443.2176	9779	8003	10550	5985	3445	5035	6601	10907	3529	16165	13439	0	1972	2592	8651	14112	11664	2128	4284	26107	24169	9850	7795	12640	11781	18173	4728	10769	12495	10850	9611	13181	15177	8465	21828	10621	13275	7407	14937	20314	9723	7090	0	0	0	16082	18037	0	11980	8708	8114	8832	4827	0	4884	3175	2690	8583	0	0	0	7808	1865	2470	3109	5725	5373	14387	0	22539	21563	8907	7627	6410	11203	8831	0	7313	7743	0	7441	3053	2552	15742	3951	3312	6292	4784	5630	21731	14324	7086	18720	7362	15397	0	8992	8604	2102	3681	2556	11029	6199	10415	0	13029	2154	0	8356	1244	Phytochemical	0.25	1.25	0.083333336
22	C22 H34 O9	443.22757	443.228	-0.21952455	443.22745	33664	23422	29272	31627	22071	32831	27236	41214	28876	32573	17959	9625	35083	246283	38741	20923	9695	44960	38752	45222	33413	32923	23492	30620	41703	24915	14103	23340	53355	25996	38942	40440	56504	34376	42989	39154	61744	30671	10006	30204	15808	20464	0	0	389	20913	13115	0	33682	29328	29271	32112	20694	549	57338	19702	14655	31504	41535	6842	30878	11045	39711	30071	93177	31587	33727	9554	23495	35681	29072	31231	28064	38881	8164	31909	0	30990	13609	15580	12589	8816	33702	12550	13469	19299	26414	12616	20275	14616	45508	59697	49329	13685	16342	0	31028	25255	15137	16506	17010	40725	23150	30731	11773	29495	16222	0	15990	41466	Lipid	0.4090909	1.5454545	0.0
24	C26 H34 O6	443.24283	443.24326	-0.11705482	443.24277	603643	629511	589722	582225	670116	370472	341013	506946	557074	906314	875136	312305	576197	368344	424252	619736	474063	543420	808027	1214535	1168545	504475	439294	552186	399485	1881090	333564	885483	518353	502238	447268	537872	646408	448046	1088057	546634	677196	367235	504584	777220	684874	345136	14422	2511	0	437789	433762	3021	529502	422238	611166	584066	501951	0	660166	531047	308117	589097	420183	325384	578569	510612	565827	497478	258641	519624	420379	531957	1419242	1779370	1958649	440787	412712	444251	397370	479903	0	384435	582300	417724	430947	337847	403240	581673	674057	405947	603619	347958	462990	501713	574355	597563	627551	457994	569228	3164	591861	604131	418863	581802	604126	689804	306309	656863	325746	484007	537990	0	401032	598488	Phytochemical	0.23076923	1.3076923	0.0
8	C20 H34 O7 N4	443.25003	443.25085	0.07662311	443.25006	19139	20339	17950	20168	0	5301	0	1519	0	3916	14166	684	1127	0	839	1150	0	1076	0	0	0	1666	0	1390	1620	0	0	113499	1131	0	1364	869	1808	0	0	1028	1538	0	0	0	0	895	0	0	0	0	0	0	1897	0	15025	21223	0	0	0	0	0	1969	0	0	0	0	1252	0	0	1221	806	0	0	0	0	0	1050	1053	0	0	0	0	0	331867	0	0	0	0	792	0	1011	0	0	1784	1546178	781439	3359	64940	9315	0	16807	13538	0	0	0	1869	918	0	0	1394	0	0	0	0	Peptide	0.35	1.7	0.2
4	C20 H34 O7 N4	443.25003	443.2508	-0.06194366	443.25	5694	6400	5741	5726	522	5622	328	700	376	0	5952	0	1017	623	786	946	902	915	759	0	0	1067	528	522	761	0	0	65084	1097	683	674	0	1414	0	0	0	1356	0	0	0	0	0	0	0	0	0	0	0	1034	0	5601	5479	0	0	289	275	0	762	0	0	0	0	716	577	0	440	286	0	0	0	0	642	442	787	0	803	0	649	276	306563	0	0	0	0	0	594	647	596	0	775	544697	211550	1729	21930	4560	0	4871	5656	0	0	0	0	0	0	0	1182	0	0	571	521	Peptide	0.35	1.7	0.2
10	C20 H34 O7 N4	443.25003	443.25052	-0.011632544	443.25003	6109	6504	9573	6263	0	1987	1155	1281	0	0	5275	0	0	0	938	1737	0	1354	0	0	0	0	0	0	1450	0	0	43046	0	0	0	0	1283	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8595	8213	0	0	0	0	635	1373	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1477	175575	0	0	0	0	0	0	4030	0	0	9863	693185	261000	2946	22479	5126	0	7107	4249	0	0	0	0	0	0	0	0	0	0	1215	0	Peptide	0.35	1.7	0.2
12	C20 H34 O7 N4	443.25003	443.2506	-0.22826011	443.24994	0	0	0	2794	1356	0	0	2300	0	0	6280	0	0	0	3136	1513	0	0	0	0	0	0	0	0	1394	0	5057	12890	1795	0	0	2020	0	0	0	0	1522	1555	1603	0	4843	0	1060	497	581	0	0	613	0	0	2545	0	1063	0	0	0	0	0	0	0	19909	0	3422	0	799	1567	0	0	0	0	0	0	0	0	0	0	399	0	0	26596	0	0	919	0	0	0	0	1758	0	0	123070	59830	0	4235	1933	640	2140	0	0	0	0	0	0	3790	23900	0	0	498	0	0	Peptide	0.35	1.7	0.2
2	C20 H34 O7 N4	443.25003	443.25073	0.05107573	443.25006	0	0	640	0	0	0	621	699	0	0	0	0	0	0	643	336	0	491	428	0	0	0	1405	0	367	0	0	1391	1096	0	713	647	891	747	0	490	698	474	1021	0	0	0	0	0	0	0	0	0	690	0	1010	654	0	0	508	0	0	725	0	0	332	0	0	290	0	0	0	924	0	0	0	612	480	0	0	460	0	0	763	44426	1646	0	0	0	367	274	1026	420	0	1728	4669	2786	1917	2133	0	0	0	0	0	0	0	0	626	0	0	636	0	0	1177	513	Peptide	0.35	1.7	0.2
6	C20 H34 O7 N4	443.25003	443.25076	-0.032692373	443.25	16638	19511	18359	18069	824	26154	616	1756	0	1647	11717	567	1714	669	830	2430	0	0	1359	0	0	1631	0	1268	1058	0	0	122732	3057	0	1802	0	2864	1804	659	1294	1816	0	0	0	0	837	0	0	0	0	0	0	2251	0	17599	17848	822	0	1302	0	508	4009	0	0	0	0	1173	0	0	1873	649	0	0	0	0	0	839	0	0	753	0	855	483	505860	0	0	0	0	1640	0	888	0	706	0	1563722	755735	1608	71953	11179	0	17984	17715	671	0	0	1166	0	0	0	1474	0	0	734	1250	Peptide	0.35	1.7	0.2
26	C23 H38 O8	443.26395	443.26416	-0.27385017	443.26382	0	3082	2850	2728	0	0	8223	0	3335	0	0	0	0	0	0	0	0	0	0	0	0	3290	0	0	0	0	4014	24069	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3201	0	0	0	0	0	0	0	3764	0	0	0	2037	0	0	2501	0	0	0	0	0	0	0	0	0	0	0	0	0	269986	0	0	3483	0	0	9113	0	0	0	0	50014	39108	0	34266	11835	0	2247	0	6166	0	6030	0	0	0	9538	0	0	0	0	0	Lipid	0.3478261	1.6521739	0.0
22	C23 H38 O8	443.26395	443.2643	-0.27188495	443.26382	3145	3680	4014	3354	3227	1596	21672	5021	1653	0	0	3500	1786	0	4436	5657	0	3168	4744	0	2257	3775	2183	2570	2877	0	18005	4682	6756	5761	9098	5052	3832	4970	0	6065	6049	5764	2929	1597	0	2495	0	0	0	1784	0	0	8151	2550	0	4319	2680	0	3843	2100	4052	7014	2919	0	4536	0	2428	1385	5582	5355	7430	3899	1431	0	0	3684	4738	5629	4207	6806	0	4873	3297	2559	1934	1748	28083	13426	2879	3378	3581	1589	4350	0	8766	5395	0	0	0	0	6971	4674	3826	2044	3750	6395	6991	5011	1312	3851	3497	0	1883	2446	Lipid	0.3478261	1.6521739	0.0
14	C20 H42 O10	443.28506	443.28564	-0.103671215	443.28503	103155	137832	103648	97646	100925	108532	100905	54388	102684	175511	228073	99312	58951	107523	54609	47305	53624	63332	46792	63672	46024	102017	57766	56326	60648	52639	94414	81162	54859	50243	99178	137921	92017	100184	120289	48167	80180	93634	87816	155457	116226	61807	179612	147588	88586	98525	85808	174985	105610	61242	118290	114340	109349	106567	40538	45255	131374	123654	355663	108419	50928	147228	98186	90373	99932	99436	78453	92033	55557	83311	92115	102017	96502	59801	48709	116016	96030	109199	82798	51200	100228	112807	93183	104882	62303	61672	80364	129103	104324	109700	97640	70194	65326	120492	64132	186237	111079	62548	129530	105302	50846	64360	109923	82048	1486353	99722	59225	151285	86007	82475	Lipid	0.5	2.1	0.0
12	C21 H38 O6 N4	443.2864	443.28668	-0.053317014	443.28638	0	0	1616	0	0	1723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14919	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1470	0	0	0	0	0	0	0	1544	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	81632	0	0	0	0	0	0	0	0	0	0	117219	42207	0	3867	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.8095238	0.1904762
6	C21 H38 O6 N4	443.2864	443.28705	-0.18174183	443.28632	2272	1777	1951	1813	0	3057	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	898	626	0	0	18822	0	0	0	0	0	0	0	0	0	0	0	0	0	966	0	0	0	0	0	0	0	0	670	2154	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	159678	0	0	0	0	0	0	0	0	0	0	197548	73753	0	10664	1433	0	2133	2018	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.8095238	0.1904762
10	C21 H38 O6 N4	443.2864	443.28687	-0.053772505	443.28638	4974	5526	5357	3679	0	4588	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28199	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4733	5196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	259766	5161	0	0	0	0	0	0	0	0	0	453098	97001	0	19805	1305	0	3891	3697	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.8095238	0.1904762
8	C21 H38 O6 N4	443.2864	443.28683	-0.23555371	443.28632	0	0	1251	0	0	1743	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11322	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	841	2917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	144790	0	0	0	0	0	0	0	0	0	0	164707	38661	0	4392	0	0	1004	1144	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.8095238	0.1904762
16	C26 H38 O4 N2	443.29044	443.291	-0.3669676	443.29028	0	2161	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13968	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3757	0	0	0	1031	0	0	0	0	0	2811	0	0	0	0	999	0	0	0	0	0	0	0	0	0	0	0	0	0	48115	0	0	1856	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1679	0	Lipid	0.15384616	1.4615384	0.07692308
24	C24 H42 O7	443.30032	443.3006	-0.29670882	443.3002	1878	1645	0	0	0	0	34100	0	0	3068	1401	0	0	3423	0	0	3013	0	0	0	0	0	0	0	0	0	21404	2833	0	0	0	0	0	0	0	0	0	0	4492	0	0	0	0	0	0	0	0	0	1681	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2604	4394	1000	4194	0	0	0	0	0	1491	0	911	0	0	0	2371	0	0	13389	9977	0	0	0	0	0	0	10004	2322	1451	0	0	0	1088	1265	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.29166666	1.75	0.0
26	C24 H42 O7	443.30032	443.3002	-0.41585812	443.30014	0	0	0	0	0	0	30522	0	0	0	0	0	0	3099	0	0	0	0	0	0	0	0	0	0	0	0	23412	7438	0	6651	3814	4640	4933	4011	0	0	3438	0	0	0	0	0	0	0	0	0	0	0	9613	0	2775	0	0	0	0	0	0	2199	4122	0	0	0	0	0	3378	1499	2146	0	0	0	0	3574	2873	0	0	6145	0	0	0	0	0	0	4604	3668	0	0	0	0	0	3467	17246	9795	0	0	0	0	2703	0	0	0	0	0	0	9132	0	0	0	0	0	0	Lipid	0.29166666	1.75	0.0
20	C28 H42 O4	443.31558	443.316	-0.054106183	443.31555	3108	3470	1697	3539	0	0	7466	2830	0	0	0	2678	0	1639	1564	6061	25650	0	0	0	0	0	0	0	2699	0	4003	0	6109	6113	3499	7238	4963	3858	0	5611	3728	2765	24683	0	0	2451	0	0	0	0	0	0	8473	4337	2310	3967	1307	0	0	0	1992	6407	0	0	3244	0	0	0	1903	0	1847	27005	0	0	0	0	3542	8007	14313	7741	0	1252	1955	0	0	0	0	0	0	2056	11114	2312	0	15290	0	0	2222	0	0	0	2109	1829	1340	0	1391	3586	1998	0	0	2176	0	0	4151	0	Lipid	0.14285715	1.5	0.0
22	C28 H42 O4	443.31558	443.31598	-0.26980048	443.31546	16105	14315	16092	15184	3702	10339	26658	22595	4931	0	3073	14946	2379	11502	13734	31439	170313	2615	3552	0	0	2186	6913	5597	19537	0	32412	3351	27559	40174	26211	25684	15970	13086	0	38766	15299	17271	176210	0	2155	9692	0	0	0	1726	2675	0	24173	26858	18322	13356	4624	0	4508	9304	12983	22353	1760	5961	16792	0	1798	2998	13824	2449	12281	208487	0	0	1925	7036	14422	34210	69180	38762	0	13496	22290	2787	9583	2621	4997	2432	12446	16814	34182	7660	9157	81213	5899	4817	14434	0	3752	0	10192	14058	8093	16063	11200	35596	15652	4672	0	9772	7399	0	22280	1773	Lipid	0.14285715	1.5	0.0
12	C22 H42 O5 N4	443.32278	443.3232	-0.15632758	443.32272	2696	1745	2321	2390	0	2487	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	63010	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1974	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	473133	0	0	0	0	0	0	0	0	0	0	129825	67298	0	25088	0	0	2995	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22727273	1.9090909	0.18181819
14	C22 H42 O5 N4	443.32278	443.3228	-0.5211589	443.32257	0	0	0	0	0	1341	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11843	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1520	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30937	0	0	0	0	0	0	0	0	0	0	116895	41923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.22727273	1.9090909	0.18181819
26	C25 H46 O6	443.33673	443.33618	-0.1804216	443.33664	0	0	0	0	0	0	20570	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17876	5000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3092	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.24	1.84	0.0
24	C29 H46 O3	443.35196	443.3523	-0.21085584	443.35187	1033	0	1095	0	0	0	3670	4858	0	0	0	3098	0	0	2127	3871	23119	0	0	0	0	0	1328	0	1332	0	4696	0	4002	12557	4305	3294	0	1098	0	8769	1313	5577	16471	0	0	0	0	0	0	0	0	0	2855	9780	0	1394	0	0	0	0	2001	2603	0	0	2391	0	0	0	3531	0	0	19934	0	0	0	0	1069	11566	11240	6758	0	1011	4594	1936	1530	0	0	0	0	0	15146	0	0	24878	0	0	0	0	0	0	0	0	0	0	0	2533	1838	0	0	0	0	0	5495	0	Lipid	0.10344828	1.5862069	0.0
28	C29 H46 O3	443.35196	443.35226	-0.2522599	443.35187	2477	2451	3000	3279	1038	0	15318	13832	0	0	3313	5214	0	1265	5840	7087	14755	0	0	0	0	0	2762	0	9006	0	14478	2820	9709	14727	8760	7410	2218	2467	0	16502	2024	11229	12987	0	0	2229	0	0	0	0	0	0	8027	15910	3179	2951	0	0	0	0	1873	6899	0	1578	6221	0	0	0	2709	0	3042	16412	0	0	0	3009	3209	17378	7240	11870	0	6168	10872	4295	4342	1259	1315	974	3531	3369	43180	0	1323	24518	2203	1823	1963	889	0	0	2603	3720	1117	5228	7839	4728	5429	0	0	4213	2238	0	9009	0	Lipid	0.10344828	1.5862069	0.0
26	C29 H46 O3	443.35196	443.35223	-0.26550153	443.35187	3796	4234	3593	4855	0	0	23969	15508	0	0	3132	15056	0	2160	10648	14216	33930	0	0	0	0	0	0	0	9345	0	24207	2700	10229	32426	9924	11824	4028	0	0	22302	0	14926	31151	0	0	0	0	0	0	0	0	0	8544	29416	4123	4953	2268	0	0	0	4059	8329	0	0	9771	0	0	0	4647	0	2271	36536	0	0	0	3243	2839	36179	17533	21131	0	12244	15021	6412	6738	0	0	0	0	6734	47885	0	0	32371	2408	1431	0	0	0	0	4359	0	0	2587	0	6337	10777	0	0	4221	0	0	13955	0	Lipid	0.10344828	1.5862069	0.0
20	C20 H13 O11 N1	444.05612	444.05667	-0.051668204	444.05612	2553	2587	1700	5852	6974	5248	1277	0	9541	2429	0	848	14282	4009	2487	0	2579	10078	8516	3631	5047	9750	3418	1841	0	0	1938	0	0	0	0	0	1957	0	5399	0	2168	1633	0	1395	7311	3785	0	0	0	2909	5277	682	0	0	3491	4233	5133	0	11093	4702	4815	0	0	2104	0	3871	13041	11786	2499	7573	3580	0	0	0	0	0	0	0	0	0	0	1360	3303	8901	2865	2721	0	0	9923	4245	5413	5827	3181	3801	0	2828	4016	21076	6039	0	4011	2315	5913	9302	6072	2125	0	1506	4017	1880	4582	0	0	20641	Phytochemical	0.55	0.65	0.05
18	C20 H13 O11 N1	444.05612	444.05673	-0.028929062	444.05612	8259	3263	3168	3662	9528	2696	1107	0	7855	4610	1568	0	25537	1746	0	1480	5811	18626	16079	2055	6249	23752	8216	0	0	0	0	0	0	0	0	0	0	0	13735	0	2288	1776	0	3018	5755	6351	0	0	0	1255	12389	0	0	0	2685	3326	3279	0	14232	7534	7442	5609	1676	2006	0	8575	24766	17051	5975	13694	8275	1495	3441	0	0	0	0	0	0	0	0	0	1972	19821	3643	8111	1642	0	12307	2464	3133	7724	8285	8417	0	0	0	34760	14580	0	2651	4306	10554	8846	10400	2841	0	0	2270	3128	9779	0	1363	16814	Phytochemical	0.55	0.65	0.05
14	C17 H17 O13 N1	444.07727	444.0779	-0.09205229	444.07724	3201	2498	0	1684	12075	6123	0	0	15283	0	0	0	27617	3228	1151	0	0	12674	13559	0	3157	0	2841	0	0	1296	0	0	0	0	0	0	2340	0	0	0	0	0	0	0	6167	5256	0	0	0	0	5555	0	0	0	3035	3134	7010	0	10643	23532	4437	0	0	0	0	0	29544	13610	3980	10045	6033	1621	0	0	0	0	0	0	0	0	0	0	0	0	1395	0	0	0	21489	0	2087	6704	3785	0	0	2902	0	6316	3709	0	0	0	13488	13727	19212	0	1791	0	0	0	11207	0	0	17507	Phytochemical	0.7647059	1.0	0.05882353
16	C17 H17 O13 N1	444.07727	444.078	0.19607198	444.07736	0	4636	0	0	9340	2575	0	0	10710	1978	0	1930	30804	3620	0	0	0	8710	15518	0	3849	4597	2367	0	0	0	1121	0	0	0	0	0	2129	0	2612	0	0	1190	0	1695	3287	6023	0	0	0	1898	4570	0	0	0	2621	2845	5839	0	10030	16652	4980	0	0	2124	0	1999	24950	12733	5188	6856	4250	0	0	0	0	0	0	0	0	0	0	0	1692	0	0	1643	0	1344	20612	2807	0	2973	3287	0	0	2276	0	8229	0	0	2078	4469	9820	11153	13852	2073	2432	2058	0	0	13680	0	0	24949	Phytochemical	0.7647059	1.0	0.05882353
12	C17 H17 O13 N1	444.07727	444.078	0.1830743	444.07736	1614	1751	1785	3380	8921	2244	0	0	11725	0	0	0	18532	970	2060	0	0	8540	8190	0	6280	0	3120	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4630	0	0	0	0	0	0	0	0	1804	2204	4672	0	8428	14571	3724	0	0	0	0	0	29630	16210	3322	9198	3009	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2343	0	0	7709	2146	0	3958	3621	0	0	0	0	0	1966	0	0	3395	11997	14798	11553	0	1769	0	0	1599	8507	0	0	21439	Phytochemical	0.7647059	1.0	0.05882353
18	C17 H17 O13 N1	444.07727	444.07794	0.17578515	444.07733	5013	1937	1541	2352	10323	4438	0	0	11140	2980	3425	1521	21766	4687	0	0	1485	8154	6062	3613	2630	8241	2934	0	0	4287	0	2431	0	0	0	0	0	0	6519	0	0	0	0	2967	9172	4056	665	0	0	4308	3686	400	0	0	1903	4744	3272	0	8023	20600	2890	0	0	0	0	5699	12976	12222	4476	4188	1233	1533	4070	3159	7190	0	0	0	0	0	0	1686	0	10779	1235	4433	0	5530	12764	2069	0	4360	2423	0	0	2397	0	13421	14922	0	2093	2484	8607	11238	9896	0	1985	0	5526	0	6608	0	0	14488	Phytochemical	0.7647059	1.0	0.05882353
18	C21 H17 O10 N1	444.09253	444.09308	-0.04900479	444.0925	25645	26703	27780	26300	28800	16557	5130	6229	32727	92544	44627	3730	57840	12991	6344	9472	7635	39356	41736	41750	56936	91754	12262	11613	3324	23853	7224	21469	4902	2622	3821	9072	11669	7121	105381	3708	12769	8457	8175	54752	63238	11055	1261	0	0	37421	56310	334	5099	3051	25307	19935	18279	256	43638	33248	13969	10585	8442	7381	11010	38737	59843	34843	10749	36267	18285	7352	31712	32498	35817	3907	1913	0	5263	0	0	2125	20140	59375	9451	43960	5939	23848	31847	18195	18546	11356	14772	14936	15445	19858	16969	77913	109640	0	34233	23952	24161	28846	29534	6121	4860	10830	36601	10885	20909	0	5682	62758	Phytochemical	0.47619048	0.8095238	0.04761905
24	C21 H17 O10 N1	444.09253	444.09293	-0.17457467	444.09244	6469	8967	5232	6640	8843	5489	2015	0	8812	24652	4254	2844	11516	2766	2232	1877	2737	13345	11507	6285	15053	26004	6523	2991	3046	2536	1879	2453	1321	0	1161	0	1284	877	26508	0	2856	2802	1873	9602	10067	3470	0	0	0	13176	23332	0	0	1419	6268	7152	7399	0	13653	6823	4643	2458	2001	2039	1760	8474	18226	12371	2119	13856	5077	0	8387	2413	10237	0	0	0	0	0	0	1015	7155	20381	5102	9832	1758	6413	13899	6523	6080	2154	5051	2206	2811	5782	4771	33842	42803	0	6393	9938	6689	9195	7023	2296	2156	2568	7941	2682	7054	0	4098	20305	Phytochemical	0.47619048	0.8095238	0.04761905
16	C21 H17 O10 N1	444.09253	444.09308	-0.059809297	444.0925	27079	26040	24494	26405	38870	15254	4330	2844	31417	102982	47141	4103	56431	16804	9109	10662	6826	36849	30557	49494	68651	98449	12502	7635	3584	23961	4521	20641	1544	3153	3537	3619	10076	2447	131543	2288	11540	6427	6791	49166	50567	11145	920	0	0	40839	66168	0	5337	4792	30972	24818	19951	0	34708	31556	13641	12894	5654	9147	9997	39523	65321	33425	11660	34461	14435	6537	42987	43911	46913	2624	2205	0	6744	3977	0	2815	18031	71472	12718	33828	5765	30176	33395	17238	15792	14393	10252	0	12891	19865	0	94103	100574	0	24169	28831	26582	36021	33431	11370	5101	11392	35981	0	20164	0	4484	50571	Phytochemical	0.47619048	0.8095238	0.04761905
28	C21 H17 O10 N1	444.09253	444.0929	-0.2203132	444.09244	5495	4483	4845	5410	6203	5710	1838	0	8190	22839	6140	1934	11259	2661	2220	0	0	10165	10483	5731	12383	19118	3745	3547	3337	0	1051	3074	0	0	1695	0	2514	1108	20671	0	2260	1260	2036	6378	8412	0	0	0	0	7776	13927	0	1400	0	5861	6073	6890	0	10935	4238	2254	2901	2005	1277	0	5714	11042	7750	2285	7902	3686	1489	3467	6611	7477	1024	0	0	0	1166	0	0	5857	15125	5737	5053	1854	2978	5195	4618	6278	3718	3629	3203	3551	5745	4169	19095	31419	0	6079	5412	4913	3201	5226	2642	0	0	7382	2466	4202	0	2471	13869	Phytochemical	0.47619048	0.8095238	0.04761905
22	C21 H17 O10 N1	444.09253	444.09302	-0.098354064	444.09247	11708	11983	9080	10275	16796	12197	2082	2926	15200	38103	13382	1200	19661	0	5847	6891	2646	25142	14685	12006	29355	52144	5784	6650	4036	6868	4213	2902	1520	3433	1904	0	3282	1376	38579	2553	4971	3664	2280	17956	19867	5019	0	0	0	18574	32906	0	4195	2121	8406	11412	11702	369	17070	12505	8928	6112	5875	2637	4585	14739	26889	16359	6848	19592	8728	2949	12822	7170	11560	3592	0	0	2404	2481	0	2717	10991	30784	9737	20017	3696	9767	21362	10638	11425	8014	6256	4957	6640	8724	5838	53409	61644	0	8019	11254	9183	14496	14175	4557	3478	6039	22770	4605	11662	0	6099	35253	Phytochemical	0.47619048	0.8095238	0.04761905
10	C21 H17 O10 N1	444.09253	444.0932	0.051017188	444.09256	4971	5124	4890	4681	9996	1661	0	0	11904	22452	15562	1797	13493	2764	2222	1781	1902	6178	8084	8495	20440	12217	2298	0	931	3098	0	5539	0	0	0	0	1775	0	31265	0	1683	1120	2156	5750	17885	2077	0	0	0	6700	17671	0	1292	0	5348	6338	4305	0	13392	11353	2468	1999	0	2433	0	7739	20556	9382	0	11944	0	0	11984	8361	21235	1116	0	0	1163	0	0	0	3034	6745	2009	7532	0	2222	9600	2648	2422	2543	1805	3737	0	2561	2425	20927	11572	0	5323	4346	7608	11712	10095	2706	0	0	0	1075	4978	0	1458	17216	Phytochemical	0.47619048	0.8095238	0.04761905
14	C21 H17 O10 N1	444.09253	444.09314	-0.03656231	444.0925	21764	18068	19480	21886	24865	10571	3166	2188	31184	87452	44156	4583	40718	9671	4911	6349	4884	23792	29237	37736	66863	77427	7717	5343	3024	19081	2460	21477	1445	1915	2789	0	8354	3293	105851	2001	5663	4192	3970	38850	66607	8953	0	0	0	36151	53556	0	4168	2219	22100	20306	15493	0	36101	22107	9877	8781	0	8807	0	39679	56348	29857	11131	28530	9955	4626	38221	28591	47747	1814	1427	0	2451	1688	0	2535	12684	47885	10991	28804	4479	22466	30321	10487	14028	8971	8728	13293	6690	16346	8778	71461	69964	0	23831	17803	20040	25080	23708	4679	4874	7804	57743	6395	17570	0	5116	34669	Phytochemical	0.47619048	0.8095238	0.04761905
12	C21 H17 O10 N1	444.09253	444.0932	0.02342439	444.09253	7542	8887	12175	8132	12420	5840	0	1960	23985	38615	27120	3242	21421	4151	3529	2707	2819	15975	15034	28006	37462	38659	4943	3379	1340	12295	1443	9852	1366	0	0	1258	4696	1333	68292	1156	1569	3080	3832	18382	49683	4876	0	0	0	15963	33008	0	1516	0	8916	13290	10122	0	24124	15543	5678	2477	0	7593	0	14042	35384	19640	5721	20204	5991	0	26859	20706	36834	0	1485	1106	1490	1522	0	2459	5963	29909	5776	17116	1928	9486	20138	5753	7690	4724	4602	8836	0	7849	2008	40277	37282	0	10681	13771	17709	18622	17546	3942	1712	2566	34431	4377	12834	0	3210	27110	Phytochemical	0.47619048	0.8095238	0.04761905
26	C21 H17 O10 N1	444.09253	444.09293	-0.23445207	444.0924	7106	5625	6221	5891	9505	4940	0	0	9626	21893	2707	0	13126	3313	0	0	0	8917	11101	0	10965	22906	0	0	0	0	0	0	0	0	0	0	1787	0	21556	0	2163	0	2355	7819	8056	0	0	0	0	9313	16676	0	0	0	5218	5102	5657	0	10793	0	0	0	0	0	0	4438	15246	9825	0	7246	3069	0	0	4874	5325	0	0	0	0	0	0	0	4711	16816	2780	7968	0	4215	5642	0	7516	2821	4328	2344	2663	3827	5120	23885	38172	0	3536	5071	4104	6732	6341	0	0	0	0	2876	6100	0	0	19605	Phytochemical	0.47619048	0.8095238	0.04761905
14	C18 H21 O10 N1 S1	444.0959	444.09656	0.012482162	444.0959	5695	6822	5652	5705	2666	5518	0	0	5197	17536	6169	1662	10163	2590	3277	3469	0	7590	9130	12491	9527	17850	2598	3882	1995	3762	1648	0	2705	2151	2464	0	4890	3161	25038	2793	4979	2037	1930	14340	14727	3647	0	0	0	8439	9260	0	2451	0	4808	0	3877	0	5990	5086	2145	0	6185	0	0	12699	9755	7166	0	4637	3323	4070	0	8186	6212	1915	1120	0	1925	0	0	2345	2917	0	1111	5512	2095	8148	6532	3232	5250	3719	6028	5809	7989	13970	7579	14742	15360	0	5190	5136	2536	3592	1555	3161	2179	3698	0	5213	2969	0	1418	8214	Organosulfur	0.5555556	1.1666666	0.055555556
16	C18 H21 O10 N1 S1	444.0959	444.09653	0.010184235	444.0959	4898	5414	6659	7242	5077	5122	2781	3271	6255	14757	10390	2202	13061	0	2881	3409	1963	8077	7653	9540	7765	26540	3173	5272	2408	5134	3044	5337	1577	1477	1136	0	5080	0	22323	2189	4794	2608	1377	16067	10035	4014	0	0	0	9334	9632	0	2094	1448	5397	7485	4542	0	8081	5121	2995	3650	8065	3798	8001	17395	7450	7453	2017	7247	5524	1917	8037	6951	8403	0	0	1892	0	1815	0	1335	3259	11856	2609	7598	3317	5524	4941	4743	3953	2844	4566	0	5970	13874	0	18363	19606	0	5121	7447	3299	4033	2637	3957	0	8036	6057	0	6274	0	2422	13705	Organosulfur	0.5555556	1.1666666	0.055555556
28	C18 H21 O12 N1	444.11365	444.11414	-0.1585425	444.1136	9720	7242	7457	6965	13516	12642	2198	4642	13358	14106	7928	5177	12239	2864	5088	2429	3688	19085	12775	16377	29036	4382	6838	4106	0	0	2248	1790	2354	4383	3430	3084	4474	3912	14075	2452	4979	2227	3147	8571	13896	5644	0	0	0	18884	45931	0	2651	3482	10437	9226	10603	0	10037	4433	3659	2201	4264	4467	4137	15360	11841	11898	4880	7494	8037	3681	17692	10015	21221	3741	4017	3765	6020	3194	0	4125	2622	4936	4117	13241	1349	2497	10918	3870	2421	4388	5631	2436	2713	3784	3730	8820	4687	0	9820	9854	13160	4052	4429	4245	3328	3328	31718	3710	10581	0	0	16486	Phytochemical	0.6666667	1.1666666	0.055555556
10	C18 H21 O12 N1	444.11365	444.1143	-0.07305247	444.11362	50979	50041	45238	47411	65340	38113	17375	35041	89992	51654	55660	39976	138511	28360	32522	34536	50849	104535	104318	68007	117151	90918	49780	39850	7104	4037	19654	9590	27956	26746	24466	25028	42240	19928	72091	31053	37661	25613	40526	41024	80714	53536	2348	0	0	44993	115604	0	27003	38023	47956	52776	49326	450	123170	89851	41070	28740	30950	43779	41781	45811	132709	102986	42541	85125	42267	46446	48917	11036	31811	27502	28210	23755	36076	24316	0	26300	36532	59809	34287	36981	10903	10477	105309	44567	29682	48047	43351	42551	10781	22016	43760	89229	71281	0	52407	67023	83497	71319	93256	57150	33892	40288	68929	39511	87452	0	10571	124190	Phytochemical	0.6666667	1.1666666	0.055555556
24	C18 H21 O12 N1	444.11365	444.1142	-0.07182058	444.11362	4870	4863	4675	6285	8702	9209	0	4159	11916	6323	4735	6050	11171	2465	6678	1412	3175	12667	10096	6402	17056	2995	3715	2757	0	0	0	0	2602	1067	2012	1662	2831	1372	3606	2366	3936	3205	2084	4605	9200	3794	0	0	0	12844	45839	0	2747	2369	7888	4409	8850	0	9456	7891	3806	0	2651	3929	2677	12990	11155	8175	3440	4734	6007	2751	8314	3623	8468	3761	1465	3459	5135	1585	0	3656	2590	3480	2356	16240	0	1350	13049	4223	1219	4553	5417	0	0	2255	2693	3598	5086	0	3842	5634	13711	3850	4676	3943	3185	2921	24339	3549	4573	0	998	18039	Phytochemical	0.6666667	1.1666666	0.055555556
26	C18 H21 O12 N1	444.11365	444.11414	-0.09582001	444.11362	6672	4814	4192	4013	9138	9681	0	0	12253	6266	4021	4401	9182	4448	0	0	0	17333	10402	9061	25745	3663	0	0	0	0	0	0	0	0	0	4228	2492	0	8658	0	3793	0	0	6358	11368	0	0	0	0	16233	44142	0	0	0	6591	4492	8276	0	10435	0	3002	0	4143	4002	0	12838	11237	7709	2576	7641	3140	4747	11580	6261	12764	3705	0	0	0	0	0	4274	0	0	0	12407	0	0	11469	0	0	3883	5076	0	0	2001	4753	4048	0	0	6648	5880	11723	2133	0	0	5170	0	22110	3402	5986	0	2773	18305	Phytochemical	0.6666667	1.1666666	0.055555556
6	C18 H21 O12 N1	444.11365	444.11444	-0.012409099	444.11365	4036	6842	6624	6377	9875	4306	1730	3506	14435	8800	5769	4814	26151	2174	3181	4730	7173	15301	12162	5991	13288	9070	6159	4876	786	1492	0	0	3562	3984	3164	2734	4276	3525	10058	2780	4691	3057	5400	2755	9024	7981	0	0	0	3947	6633	0	3606	4466	4363	7117	6522	0	16338	15408	4608	1927	2326	5220	5290	2872	25776	15398	5245	14653	9369	8304	4143	2065	3176	1951	3151	1231	5065	2974	0	2437	4089	0	3443	2762	1305	1118	18755	6814	3114	9062	7633	8031	0	1920	7674	10889	5752	0	7664	7954	11637	13975	25033	6686	3394	3876	7530	3791	17544	0	2209	23540	Phytochemical	0.6666667	1.1666666	0.055555556
22	C18 H21 O12 N1	444.11365	444.11423	-0.040776238	444.11365	9222	5418	8600	7183	17222	15747	1076	6174	19474	4801	10320	9087	19614	7359	6813	3332	5689	21359	12676	13150	26736	6775	9293	6180	1496	0	2965	3280	3073	3638	4501	0	5633	5146	7410	5963	6284	5870	4252	5034	13211	7338	0	0	596	20255	70218	0	1959	6745	9758	7324	12348	0	23562	13484	5630	3471	6501	4735	2928	19200	16286	14652	7044	11677	9943	3883	14574	4817	9603	7852	3636	6127	5317	4307	921	8420	5321	7282	5782	29125	0	0	20941	6882	3988	3999	6645	3130	3309	0	2721	5979	5651	0	7536	9121	17771	6893	11354	3446	7293	4387	50229	4766	17443	0	2060	22387	Phytochemical	0.6666667	1.1666666	0.055555556
12	C22 H21 O9 N1	444.1289	444.12952	-0.08661781	444.12888	34134	26626	31577	26167	22619	14475	9151	11049	30941	112618	72006	6402	33431	13204	9126	10644	8514	24227	38057	84901	102676	69430	15411	12700	7646	66174	6428	44420	9397	9663	10408	6717	18587	8068	164173	5662	9477	13855	14161	69740	79684	12356	0	0	0	47365	71463	0	9334	9101	24078	29929	15723	0	34681	24906	13089	13284	12698	15278	0	51830	49879	24229	9343	29422	16653	9867	101991	113780	130430	11872	8024	5051	7637	10071	0	8283	23295	50717	15026	36085	11366	38169	27404	11232	22322	10986	10450	21261	11711	30683	19313	61689	62457	0	25492	33812	29568	28007	23348	11513	7007	12639	33324	12487	24400	0	13213	42991	Phytochemical	0.4090909	0.95454544	0.045454547
6	C22 H21 O9 N1	444.1289	444.12967	-0.08858089	444.12888	2979	3704	3840	3278	4612	1962	0	1663	6467	18408	13313	710	6844	1727	1454	2329	1813	3149	4521	7264	15184	7298	2369	1510	0	6681	1030	2912	0	1320	1501	857	1576	0	17440	913	1404	1309	2291	6004	11454	1577	0	0	0	5235	10875	0	0	865	3692	3600	2916	0	3651	4634	1268	0	1491	1210	1737	3953	7471	4492	2449	4559	2110	2077	11300	9686	20250	1119	1155	0	1601	1155	0	885	3424	0	2574	3812	1340	3894	3687	1843	2346	1860	1635	3140	0	2773	3219	8703	8953	0	2935	3405	3977	5158	4195	1508	1533	2280	0	1349	2320	0	864	5252	Phytochemical	0.4090909	0.95454544	0.045454547
22	C22 H21 O9 N1	444.1289	444.1294	-0.13117579	444.12885	19346	18788	17633	15895	19296	13803	4976	5089	21605	85937	38806	4254	26945	10091	5027	9294	5665	26932	23534	45797	55303	53280	11768	8641	8263	39285	3056	32108	3110	4050	3791	5518	9103	4707	93446	2919	6940	7563	5632	45338	43265	8130	0	0	0	42116	59722	0	2071	4318	22890	21382	15264	294	18772	17615	8300	11463	7665	6997	7613	35406	38747	19886	8804	24356	12284	4747	41919	53981	66903	4217	4258	1465	3244	4067	497	4533	15461	39961	9847	29199	7215	27407	26101	12950	14879	7973	9521	7084	12092	14900	16825	65803	79833	0	20121	19746	17896	22660	18429	7827	4683	10037	34768	7414	17494	0	6535	39421	Phytochemical	0.4090909	0.95454544	0.045454547
8	C22 H21 O9 N1	444.1289	444.12958	-0.09812097	444.12888	9513	10477	8381	9661	8267	5970	2065	2678	12243	45483	23077	4149	14429	4458	2572	3362	2522	7267	11107	26026	36862	23431	4777	7174	2344	14738	1705	12869	2751	2155	1573	3848	5610	2056	51477	2400	4200	2352	6478	17974	28162	3669	0	0	0	15565	23189	0	2297	2202	9260	9328	4926	0	14534	8084	4007	3859	2998	4076	0	13953	17068	8374	3422	10781	4659	7354	31048	32095	45127	2553	2859	1802	2604	3259	0	3064	9415	11032	5358	11604	2902	10699	9182	0	7232	4074	3821	8049	0	9950	8697	24234	23226	0	8555	8524	11234	12271	9935	2937	3036	7318	10665	4876	7610	0	4993	16392	Phytochemical	0.4090909	0.95454544	0.045454547
10	C22 H21 O9 N1	444.1289	444.12955	-0.08124379	444.12888	24311	22133	20072	15968	14938	10327	5109	6099	18571	94752	46112	7092	28742	8373	5976	8579	4059	15675	22512	53741	63829	43185	6818	8057	4268	44126	3347	28143	5907	5056	6214	6505	8244	5127	93659	5199	8792	5042	6295	42424	44436	6040	0	0	0	29565	45250	0	6533	5044	18514	20217	9339	0	19518	16452	8380	11200	10448	9014	9974	25924	23839	18256	6201	20330	8611	9072	53580	60779	76610	9372	3832	2909	4067	5793	0	4204	12327	24511	10658	22106	6777	15058	16173	7915	10275	6949	9861	15431	10420	11016	12308	40029	54768	0	17952	18735	16484	18225	14935	9300	4263	11820	21830	7419	14284	0	8097	28709	Phytochemical	0.4090909	0.95454544	0.045454547
20	C22 H21 O9 N1	444.1289	444.1294	-0.15216666	444.12885	41109	42157	40503	36361	42026	32118	11006	11495	47198	163942	83245	9043	53078	23235	10869	17419	12554	52342	47763	106983	124140	99095	19621	22732	14253	73168	8945	54691	10611	10310	7837	11560	19370	6840	173080	7008	19213	11223	12048	96757	75731	15334	1428	0	0	82778	81340	577	10254	8405	34880	42332	28219	277	52766	37169	18152	17505	14566	11756	13468	61442	61802	35086	19195	39514	20003	10434	84754	107045	117211	7004	6104	6119	10153	7248	0	10017	22197	74836	19743	50327	15818	67299	45607	20059	26493	21946	18868	19612	31718	39621	30153	99153	110595	0	40304	44177	32775	30565	36714	23850	6786	21315	58679	18125	31885	0	16214	68521	Phytochemical	0.4090909	0.95454544	0.045454547
14	C22 H21 O9 N1	444.1289	444.12952	-0.084597066	444.12888	47557	39310	45253	48337	34966	18492	12632	11740	40741	189842	103160	12719	60903	26341	12138	19939	13628	41166	48712	131281	139949	111466	22006	21489	16397	110723	13107	88447	11457	11195	8758	11773	20646	14981	222775	12431	18988	14784	16842	97061	115377	17051	0	0	0	73326	92302	0	18075	12284	40243	38942	29003	0	49047	34158	16788	20200	22345	16779	30045	71648	64757	39847	15938	44371	20273	18017	146686	156418	164910	13913	11881	12222	10827	11578	0	10930	30548	73830	23125	52686	18699	59449	36286	22620	32379	18899	19212	33324	36381	42800	37158	91630	111491	0	47517	37851	34119	37338	28938	23950	10395	29005	55785	23861	23981	0	17583	51952	Phytochemical	0.4090909	0.95454544	0.045454547
26	C22 H21 O9 N1	444.1289	444.1294	-0.1269806	444.12885	3887	4687	6503	3118	4671	2726	0	0	6431	22689	8714	0	6785	2324	0	0	0	0	5302	6803	15835	18709	0	0	0	5787	0	4213	0	0	0	0	0	0	23626	0	1904	0	0	12991	9277	0	0	0	0	7172	11708	0	0	0	3464	6057	0	0	8460	0	0	0	0	0	0	6821	9285	6557	0	4696	4320	2114	11810	14713	16865	0	0	0	0	0	0	0	2739	13794	4222	8723	0	5305	6185	0	4276	0	2608	0	2239	2998	0	18755	30454	0	7054	0	4354	4900	0	0	0	0	8052	0	0	0	0	8003	Phytochemical	0.4090909	0.95454544	0.045454547
20	C19 H25 O9 N1 S1	444.1323	444.13284	-0.005036675	444.13226	8862	9146	8272	4057	4413	6056	2933	8220	3537	11056	4676	3192	9257	0	3566	4918	4064	7380	6800	17436	16653	12914	4518	6019	5136	14548	1336	6798	6079	2900	5733	4453	4673	3757	27899	3235	5159	2300	4029	17920	4884	4411	0	0	0	6532	0	0	3900	2233	7183	5047	3787	0	7388	3417	3619	7591	11103	4238	4714	11557	4296	3830	2591	4772	4671	3391	12827	14954	8313	5319	1797	0	4000	3414	0	2998	4008	7646	3356	4694	5091	0	3446	4138	3307	4803	3022	3782	13149	15860	9928	6694	14373	0	6931	5375	4222	3297	0	3427	3041	12037	9121	7438	4892	0	6552	6590	Organosulfur	0.47368422	1.3157895	0.05263158
14	C19 H25 O11 N1	444.15002	444.15063	-0.063112125	444.15	349999	334357	323876	329416	310694	288601	189574	443367	447403	519218	340400	229835	591861	175615	399156	332850	262308	670822	564033	807649	937298	479746	401453	387719	216086	292428	154788	270917	360841	378628	266757	309637	364067	258418	734355	384677	310500	260124	201619	485435	374312	298596	15398	1843	1024	642555	748375	1311	276346	404809	324608	309298	278505	2064	709119	343036	180378	260915	500613	260011	449167	484970	516160	443541	176867	338066	284578	201107	577666	426931	438954	312459	283401	401988	256229	261552	744	266842	247948	337311	238811	420611	178291	217146	407301	267163	208125	209867	257472	182220	186878	261601	410448	294579	399229	3236	329923	455250	355938	220179	293727	398357	244289	463996	665728	257732	369864	1445	149685	469236	Phytochemical	0.57894737	1.3157895	0.05263158
18	C19 H25 O11 N1	444.15002	444.15054	-0.116880186	444.15	193496	199252	187671	178727	186929	166658	89805	241666	194293	277939	165983	128883	289254	92371	192205	168284	127091	346842	301415	378139	424746	170484	202871	214490	110598	192413	92322	100689	199769	174078	159245	166935	171274	170739	291932	205387	166107	131334	103411	263511	182905	146537	11057	1323	1641	399725	441013	1534	148832	209462	170870	190278	163425	1750	323188	168646	108936	131323	151894	118932	162370	241274	241654	207169	98659	169888	134257	107997	305729	262556	287368	197784	154309	206682	141799	159904	1475	147990	139230	136330	134763	273133	97543	132747	246314	155679	110111	111562	131390	79061	84198	146958	199626	122976	171757	2969	209138	227383	192109	129212	150030	182478	124286	197866	283193	131715	203305	1229	92667	252715	Phytochemical	0.57894737	1.3157895	0.05263158
16	C19 H25 O11 N1	444.15002	444.1506	-0.06818203	444.15	312592	310179	282568	305312	322135	255281	149081	376539	369391	478177	263289	209116	537521	156861	335775	287872	220284	613082	541118	696247	731103	335796	340886	328921	174956	307517	141797	191447	310248	303615	277105	275526	283793	231138	564730	320229	292914	218079	184480	450030	310042	237164	13684	2100	1733	583347	662895	1856	244451	339831	318137	296933	261730	2762	580902	301342	168855	219781	316500	189955	350850	378357	415443	364651	145852	307106	226994	159370	486577	394008	426218	317196	281558	347341	227220	246266	1090	231347	213405	265786	192763	407879	168442	214412	383989	223926	157806	180435	210539	130157	149880	242961	414046	222441	369589	4726	310888	403428	301271	189069	245324	349428	197611	330434	457945	286760	332599	1864	152468	464271	Phytochemical	0.57894737	1.3157895	0.05263158
26	C19 H25 O11 N1	444.15002	444.15048	-0.22097473	444.14993	11217	11855	16422	10318	9552	9162	1947	14938	9044	25774	11065	9246	14573	3902	10225	7001	7266	19760	11497	35180	42787	8628	7508	11507	0	9471	2949	3650	9230	5566	10661	7776	7688	8727	23873	11257	6940	5973	6098	19198	19007	0	0	0	0	23673	45118	0	10840	12335	11998	14536	9730	0	9051	0	4834	5727	5545	7499	9143	13290	9733	8785	3507	8104	3879	5345	22153	29964	27932	11340	9666	9673	15492	6222	0	9575	4050	0	8087	15263	5103	9366	14405	0	4054	4338	5368	3214	4164	4823	7408	6620	7706	0	8219	14065	8862	4924	5851	7920	7122	10663	18325	6306	6524	0	3785	15505	Phytochemical	0.57894737	1.3157895	0.05263158
28	C19 H25 O11 N1	444.15002	444.1505	-0.14049713	444.14996	11902	12047	14056	13807	11016	9913	3341	12613	11189	34381	13200	6877	16536	4682	10244	9914	6682	17057	14018	45081	46712	9976	8448	13407	4159	16088	4501	5933	9413	8838	8977	9869	9249	10917	31280	10114	10677	5736	6278	19165	20823	7689	0	1145	0	25459	36317	0	9440	15214	15157	11152	10884	0	11067	7365	5497	8625	7676	8619	7436	22313	10851	8897	4942	7996	7288	6018	23510	33416	39232	13954	10319	13154	12211	8700	0	7199	6152	6217	7238	17899	6270	12101	12392	6997	6003	5676	6125	4895	5695	9666	8619	4680	8604	0	13066	14732	11142	5667	5581	9909	5790	12074	20767	9231	7776	0	3853	15323	Phytochemical	0.57894737	1.3157895	0.05263158
8	C18 H25 O10 N3	444.1613	444.16193	-0.07047574	444.16122	12488	10647	11295	14605	5155	5753	4435	14164	8671	10151	4098	9461	16159	2975	10154	17367	12378	11095	15847	5703	8069	19902	13272	15805	5705	0	6444	0	8467	9011	10141	16750	16823	9764	15415	9744	16670	10925	15927	7176	6697	8751	0	0	0	9508	6537	0	14763	12697	13207	11091	8733	0	13930	6168	6969	14639	10704	8304	12258	5146	17350	12154	5641	13268	10128	14427	0	1875	0	12818	11419	9186	7219	9114	0	8940	9759	3330	6803	4202	4357	2294	7358	6727	8586	9398	12188	18931	11737	21248	37599	8722	4364	0	10178	10066	4732	6372	8012	12041	10371	11353	0	14029	6535	0	7070	15817	Peptide	0.5555556	1.3888888	0.16666667
16	C23 H25 O8 N1	444.16528	444.16583	-0.15478656	444.16522	80351	72905	71517	79131	52573	41350	30926	45110	49277	202917	132858	25566	63362	35627	34290	57713	48407	55849	71390	203841	203034	120281	41197	63372	41117	187030	31634	101914	39080	37599	39810	41632	54346	32161	251081	32758	55197	31886	40109	150849	138696	32085	1451	0	0	86331	103764	0	50691	35387	78225	77060	40980	0	47805	36401	31002	63725	38081	38257	55131	94177	71826	38669	22414	59778	41481	34989	178147	251176	247102	35634	33007	35895	35858	37216	0	25740	42818	79992	38219	63025	41018	104910	53237	28929	48890	39567	35767	84941	70918	76576	81839	84029	125366	0	72370	78337	39148	40459	42351	52401	31676	58344	56705	55296	37290	0	36419	70794	Phytochemical	0.3478261	1.0869565	0.04347826
14	C23 H25 O8 N1	444.16528	444.16586	-0.17576419	444.16522	55551	46023	52479	49510	30873	25718	29540	35069	40789	161453	83661	18981	45166	25796	23064	45800	36901	44311	47961	159312	158652	88612	30269	49375	22018	128768	23119	99740	28935	24654	27271	30826	37996	27785	181547	29406	39460	20977	35490	99354	102665	26412	0	0	0	73215	82009	0	35706	29956	53003	49935	27272	0	39464	22303	18180	41597	27824	37632	28128	74935	48852	31518	18541	42795	30334	26465	127946	185309	177482	32883	25407	25101	25816	25516	0	24906	35851	60548	25785	46040	28651	62444	36078	17925	38488	25167	29501	62895	44617	52666	65840	68019	87207	0	58658	54185	27291	26808	29316	33286	17282	47805	45418	37871	20566	0	30887	41475	Phytochemical	0.3478261	1.0869565	0.04347826
26	C23 H25 O8 N1	444.16528	444.1657	-0.22553845	444.1652	6717	7644	10359	7408	7250	4250	0	6771	8448	22485	12436	3758	5756	2891	0	6769	0	9876	13325	11960	14463	13787	5136	9064	5989	10180	0	12091	0	0	6950	0	5318	0	18014	0	6694	3529	6683	10042	16383	0	0	0	0	12597	13914	0	6219	0	7698	7724	4069	0	7427	0	0	5926	3163	3307	10951	11355	7367	5478	2462	8757	4678	4971	20606	27864	29018	6729	4208	0	0	4896	0	3489	7515	7588	8003	5543	0	7235	6734	0	9193	5495	4806	10559	5712	4095	17256	10696	16721	0	9271	5582	3841	4842	4438	8296	0	0	0	6838	0	0	5698	11152	Phytochemical	0.3478261	1.0869565	0.04347826
6	C23 H25 O8 N1	444.16528	444.166	-0.13862728	444.16522	6722	8642	6543	7591	4627	4495	2808	6265	4468	23591	15582	3456	7143	3129	4161	5734	4266	6739	7943	21063	29787	13640	4814	6144	3019	18248	2312	9591	4305	2883	2717	5880	6456	2807	30296	4059	5311	2649	5143	12895	17835	2495	0	0	0	15315	18717	0	6754	4358	7699	6469	3069	0	7493	5125	1528	3577	2663	4252	6398	9942	7361	6321	2417	4879	3365	4471	17441	26979	27804	4937	2906	2949	0	2900	0	2807	5617	8972	4139	5730	3370	10071	4958	2864	5165	2785	3170	6999	0	6452	8666	11834	20579	0	7096	6198	5388	5240	5496	6676	3579	8158	10435	3210	3313	0	3760	6848	Phytochemical	0.3478261	1.0869565	0.04347826
24	C23 H25 O8 N1	444.16528	444.16574	-0.16500351	444.16522	17089	16638	15114	17018	13331	11054	2738	9770	16846	51367	31897	6329	21162	7988	7786	11273	6813	14904	21617	30670	42869	22139	11776	14655	6621	41069	3464	28932	9211	7159	5156	7466	7875	7678	52829	4805	11024	4822	9464	33641	32079	5892	0	0	0	24808	33156	0	7166	5417	15715	14839	12926	0	16013	10817	7481	11093	7266	5460	12091	19687	20151	13952	5845	18834	11569	10204	45444	46932	65709	9973	5427	3528	7809	6113	0	6291	12643	18251	8886	16534	6403	19083	17652	5212	10361	7666	9439	15166	9698	13048	18620	26411	35138	0	18641	14161	12218	12763	10157	10366	4226	10718	16589	13386	12153	0	8394	29413	Phytochemical	0.3478261	1.0869565	0.04347826
24	C20 H29 O10 N1	444.18643	444.18686	-0.18039307	444.18634	21706	23121	27621	21780	20435	23335	9154	34287	22924	55815	19987	19590	42872	10167	18905	29290	18347	34880	31956	52815	55637	16958	27678	34586	13454	24090	8247	11824	26151	24366	24918	20173	18531	23369	43205	23496	21830	14663	14846	30745	23059	11761	0	0	0	38757	31671	0	19959	29386	23795	22515	18400	0	34534	23485	10585	18648	15894	13396	21648	21984	32929	28280	11415	20983	11445	13341	27610	56728	35590	30967	23324	29085	21763	20218	0	21755	18535	7705	21204	21320	10897	15444	28194	14306	16204	14575	15089	10498	15824	13416	29956	10958	15843	0	24225	29127	17045	23133	20699	18088	15253	23801	23188	20491	17094	0	17452	43106	Lipid	0.5	1.45	0.05
6	C20 H29 O10 N1	444.18643	444.18713	-0.14684495	444.18637	16479	19531	14971	19840	7106	10713	9998	25191	14432	27077	12778	8907	21245	6905	19853	21362	15811	18019	22180	30013	30015	22905	16932	25766	11283	9969	10443	5914	22952	21276	18598	24808	27104	18888	36779	24221	23476	14829	16616	17870	20711	11774	0	0	0	21243	26983	0	27187	23715	21544	19180	11623	0	23302	12841	6248	24277	15427	14265	21128	11909	20000	16658	5755	17190	12465	17420	11256	16340	13898	19847	18390	25411	10965	19620	0	15233	10680	7223	9979	11064	11691	11221	11801	9347	11512	10791	12114	15943	13553	22815	23903	13665	17860	0	21092	19857	8079	12644	15377	22682	11168	25271	15945	18189	10771	0	10498	24717	Lipid	0.5	1.45	0.05
28	C20 H29 O10 N1	444.18643	444.1869	-0.1696046	444.18634	8265	6803	7683	7636	5200	4299	3459	8266	5910	18937	5868	4349	10802	3392	6234	8242	6060	9529	9000	25586	23773	5857	8527	10677	2162	14778	2923	7084	7588	6691	6106	6739	6436	8290	17822	7787	5985	4223	7588	10168	9021	4871	0	0	0	7415	9449	0	8691	8662	7956	7517	5985	0	7954	4009	1950	6751	5403	5968	7998	7933	9009	5900	2759	7648	3306	3745	13654	27907	17627	10046	6875	9884	7990	4214	0	4764	4013	2613	3773	5726	6073	8402	4904	2711	3425	2445	3353	3367	5891	4225	7886	2370	4399	0	9097	9424	3589	4618	6017	6022	4265	9215	7502	4246	3521	0	3443	7566	Lipid	0.5	1.45	0.05
8	C20 H29 O10 N1	444.18643	444.18707	-0.18059711	444.18634	86740	96588	68098	95258	45152	49412	59717	123014	61606	114636	56466	64722	104044	31220	83864	103839	81926	80018	95772	163460	147565	274792	85451	137178	50756	66216	50742	40820	107844	105518	78729	107729	86188	82895	145494	111438	99882	60776	83670	101148	91238	56114	1026	0	0	122748	110688	0	108680	108022	87524	88991	39856	652	101697	63204	36536	72340	105368	73020	120060	72084	83116	63922	30886	66934	48236	80652	92718	86174	90126	95388	85702	123614	64469	92668	0	70374	80461	62558	71406	62964	67090	52788	69928	43574	60165	38394	53112	69690	48496	114210	134475	63150	93002	0	87624	107058	48096	61918	67772	112650	73022	153926	93138	76886	57944	0	49856	89256	Lipid	0.5	1.45	0.05
26	C20 H29 O10 N1	444.18643	444.1869	-0.16463116	444.18634	10447	7011	12980	9269	7762	6580	2325	9849	9892	27769	6642	7935	17117	3178	7927	13988	0	16922	10053	24184	23860	9085	9961	8413	0	10470	2096	5797	8363	7948	7322	8181	8282	8699	22702	9600	9651	5681	5597	14618	9794	0	0	0	0	11928	13684	0	10678	9301	9797	9689	5573	0	12611	10255	5539	7270	6039	5056	9107	10259	13058	9263	0	8169	2297	5420	13627	27462	22955	12077	10278	12246	10457	10125	0	7985	6389	0	6482	5899	4316	8615	9648	0	4555	4580	4923	5961	4017	4625	11934	2291	8485	0	9088	9572	4930	4658	0	9670	5046	11414	11549	6839	5073	0	4560	11815	Lipid	0.5	1.45	0.05
14	C20 H29 O10 N1	444.18643	444.18698	-0.12279701	444.18637	393657	384109	370727	367227	289419	281671	297553	672788	383768	583579	340745	309953	504913	163764	526782	512029	386922	561661	552496	913246	861798	447742	581480	669757	431696	581188	221777	335985	592509	606344	403976	511463	509968	360064	745801	583821	428478	368178	298682	464830	360386	349052	12150	1632	879	631530	498489	786	401183	586385	387236	369725	273382	2347	637077	305071	195468	407826	616870	321844	728753	414706	399942	388398	198901	327610	301548	253393	573414	674960	457934	440751	428819	670027	364529	408079	526	411812	367318	301713	378550	352187	312427	286741	397172	312852	298111	232175	281691	259798	303434	363500	608782	243957	388513	5453	363440	572020	296749	235372	308895	535375	322290	680425	513275	354796	323290	1349	264558	384728	Lipid	0.5	1.45	0.05
18	C20 H29 O10 N1	444.18643	444.18692	-0.12135221	444.18637	538512	529648	515360	505120	426697	392923	291055	805363	464407	912827	375647	323234	774299	221062	595398	527060	279658	812093	826000	1136233	995710	511281	617891	717082	466467	528936	244575	302437	790814	616731	554974	560294	591161	548380	953652	715559	623668	394797	255454	679641	314594	379362	15472	1928	1594	768010	468744	1655	533081	646825	516187	503098	362483	3006	961045	390133	255613	503761	562889	237221	606318	475138	600365	539719	210244	445749	356996	256493	477498	865995	493726	644984	525024	755051	340615	558539	1034	437860	421460	249791	417927	374851	341004	344107	457684	352142	313149	256802	359865	205288	392367	556731	695864	241378	468627	4727	504993	624378	369281	268493	315039	592453	360232	705098	366211	438531	353717	2106	310963	648230	Lipid	0.5	1.45	0.05
16	C20 H29 O10 N1	444.18643	444.18698	-0.11322919	444.18637	642624	606836	650547	651916	438126	447410	381637	984983	575549	1050898	493281	452505	810802	234268	772121	726457	398412	962309	974357	1495064	1232281	616513	796658	934169	618094	705037	315003	387373	855722	816902	732532	776156	712476	602456	1244572	854109	728757	502408	338172	790590	402211	500397	16066	2898	1999	880200	628060	2043	720310	848421	634270	631271	458329	4207	1002270	470750	319725	657797	711253	346266	846601	576052	682442	585598	233334	528605	447710	309520	666394	1089316	632097	800724	761836	1001418	487614	677949	1334	534456	503037	382336	465887	483230	473576	464322	570869	404505	406944	354373	427186	353795	444606	616773	937520	332602	597246	7553	613693	851633	425664	320250	422082	830474	437943	868597	463650	626859	482638	2165	432820	724929	Lipid	0.5	1.45	0.05
8	C19 H29 O9 N3	444.19766	444.19833	-0.098883666	444.1976	10327	9349	8928	10235	4286	4180	4803	14613	5034	4269	1545	4561	8961	2767	9677	14415	5900	7829	7029	4149	4760	14015	10283	14847	10272	0	5848	3498	14300	10424	11808	15071	16885	9923	6968	9856	15198	10430	7447	4832	3385	5446	0	0	0	6259	2714	0	11925	8343	7885	10161	5690	0	7994	2558	3449	13805	11566	3460	15695	3379	5309	6877	0	6403	6750	7400	0	1653	0	10457	9926	9401	6181	10974	0	8270	7743	0	5972	3628	6903	2433	2878	0	9440	5074	6403	13579	22969	27479	28856	2612	5441	0	8915	9183	4523	3646	2184	12636	7582	8858	0	12477	2607	0	7778	9234	Peptide	0.47368422	1.5263158	0.15789473
10	C19 H29 O9 N3	444.19766	444.1983	-0.04985536	444.19763	5361	10079	7648	7260	3094	4359	7226	12095	3758	4344	0	4174	3125	0	9383	9635	5378	5314	6925	3740	2996	9073	8949	13603	10630	0	4382	0	10916	6473	8479	10411	14297	8929	7554	7449	12641	7451	7595	4636	3724	3414	0	0	0	4574	0	0	11493	9082	7521	6847	3396	0	5116	1620	2782	16874	13002	0	13507	2391	3220	3788	2934	6219	3845	5628	0	0	0	8273	6841	8260	4710	6717	0	6240	6274	0	4890	3817	5435	0	2890	2840	8242	4391	5244	10774	15977	24930	20581	2046	3061	0	7739	7785	0	2342	2585	12665	5881	11167	0	8846	2463	0	6165	4617	Peptide	0.47368422	1.5263158	0.15789473
6	C19 H29 O9 N3	444.19766	444.19836	-0.08981627	444.1976	9681	12131	8905	8665	3688	5874	5835	13017	7225	6390	3605	5540	10299	2800	10492	12921	7048	7630	10508	5469	5219	14063	9645	12159	7962	0	5296	2832	11391	10839	12547	13036	17170	12299	8028	11849	17678	10173	9138	3559	3062	5354	0	0	0	9955	3466	0	13673	10515	9551	11283	5829	0	10776	2786	3465	13989	6944	3647	16244	2632	9434	6425	2939	7160	7532	6754	0	2733	0	11617	12431	9873	4007	9749	0	6427	6007	0	5859	1912	5004	1673	3430	4358	10216	6218	8165	15463	24806	22541	25459	2682	5060	0	11366	8596	2137	2113	4229	11272	5936	11530	0	13635	5690	0	6222	11555	Peptide	0.47368422	1.5263158	0.15789473
12	C24 H29 O7 N1	444.2017	444.20224	-0.22442932	444.20157	26148	24209	26472	22295	15196	13307	19036	22585	16093	60407	42157	12950	12249	12596	13850	19210	26150	12613	22107	85948	82166	28067	16508	20747	14979	67305	11560	31970	13491	13396	17928	13598	24498	14881	89082	19041	20207	13420	22438	50482	54812	8945	0	0	0	34374	34718	0	20282	19068	25347	25635	13484	0	14826	10068	8379	19768	4762	11020	0	27093	15240	11558	6778	14888	17181	29904	47736	107658	102058	15157	15401	14343	17000	16279	0	15241	17058	17893	14423	12647	11034	29346	12169	8601	19885	11353	9401	39956	32260	19822	27534	28668	35665	0	21826	27953	10551	7370	9023	20818	12520	19866	0	19632	9700	0	18476	17445	Phytochemical	0.29166666	1.2083334	0.041666668
10	C24 H29 O7 N1	444.2017	444.20227	-0.1887754	444.2016	24095	20283	21972	23772	10218	8584	11035	19207	10192	68055	32866	9852	9743	6919	11770	17187	12987	8177	17311	77867	75782	30777	11193	24590	13340	62190	8622	30789	13126	13738	14703	15338	20604	15814	74765	17741	18937	9459	16195	46812	36199	7113	0	0	0	24958	23591	0	16597	13318	20202	22496	9095	0	12218	6762	6760	20921	2299	9863	16426	21543	13584	10053	7169	14557	10844	20789	46868	83739	80165	14833	11913	11895	13438	15726	0	8356	14947	18932	13804	10122	4931	30258	9020	4468	15657	10684	8607	25777	22834	11102	28376	22694	31389	0	22320	22058	8742	5083	6298	17042	10951	17638	0	15031	6921	0	11171	11260	Phytochemical	0.29166666	1.2083334	0.041666668
8	C24 H29 O7 N1	444.2017	444.2023	-0.194095	444.2016	17119	14197	13194	17617	9722	6527	6607	14819	6053	44978	22058	8050	7296	5348	8092	16829	12363	6506	15748	57886	47787	23642	9651	19372	8632	39135	7057	20453	14824	11919	10858	15949	14519	10573	52364	9728	13128	7623	12381	33924	24383	8119	0	0	0	19874	22593	0	13102	11828	15330	14747	7205	0	10818	4828	5956	10060	0	4310	11915	14077	9128	11466	7247	6937	8807	12213	30566	49880	54517	11977	12650	10178	10824	10168	0	7085	12262	16425	7237	5353	4143	23815	5775	4026	11011	5726	7524	20161	15885	12452	23843	17365	29504	0	19466	16733	7429	4191	4310	17462	6091	17300	0	13069	4734	0	7349	7005	Phytochemical	0.29166666	1.2083334	0.041666668
6	C24 H29 O7 N1	444.2017	444.20236	-0.14808334	444.2016	5769	6496	8874	7350	2862	3539	4250	9369	3572	19568	8958	4337	2966	2038	4760	10184	6442	4577	6704	22767	25634	11214	5276	8322	5071	18982	3802	8114	9201	7795	6934	8230	8779	8796	23288	8080	11410	5574	9015	12252	12272	4320	0	0	0	9807	11845	0	7529	7211	9872	7383	2748	0	5690	2175	2464	8998	929	1672	9085	8343	4152	3343	1458	3477	3990	9771	11422	24537	19996	7420	8805	7972	4325	5902	0	5138	4574	5823	4782	2031	1857	7970	1982	2935	5249	4000	4723	8797	6836	6654	11124	8355	15610	0	8586	8922	2842	1929	2076	8765	3339	10223	0	7993	1693	0	4667	3173	Phytochemical	0.29166666	1.2083334	0.041666668
2	C18 H29 O8 N5	444.2089	444.2097	0.03908164	444.2089	2584	2559	2340	2534	1114	0	1128	2108	865	396	1934	1453	1032	875	2239	0	1889	1435	1861	0	361	1513	2148	2520	1233	0	0	12820	3681	1461	2202	1583	3492	2043	581	1961	2142	1876	3056	0	0	0	0	0	0	315	0	0	2487	1364	1646	1212	1460	0	1030	574	657	4659	314	0	0	0	783	814	0	1260	1203	2953	0	285	0	1677	1912	1062	0	1536	0	1333	1481	67289	1084	0	438	0	618	906	2318	994	2438	4659	23640	11541	4807	6679	0	0	2340	2615	586	602	864	1018	1631	0	0	2435	679	0	1505	1932	Peptide	0.44444445	1.6111112	0.2777778
26	C26 H30 O4 N1 Na1	444.21454	444.21484	0.13987511	444.2146	0	0	0	0	0	0	0	0	0	0	0	7918	0	0	0	14377	0	0	0	0	0	0	0	0	0	0	0	0	0	26857	12100	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3946	11254	0	0	0	0	0	0	0	5929	0	0	9145	0	0	0	0	0	0	0	0	0	0	25978	0	0	0	3535	0	6608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6695	0	0	0	0	0	2914	0	Phytochemical	0.15384616	1.1538461	0.038461536
6	C21 H33 O9 N1	444.2228	444.2235	-0.12565617	444.22275	9229	9449	9078	9220	4695	4309	4134	13175	4425	8681	5579	5793	6751	2497	8641	12132	5788	5878	6969	10374	9537	11070	6120	13540	6687	2983	5298	3405	12550	8156	10785	9353	14176	7140	11923	11258	12926	6401	6105	5806	9411	3233	0	0	0	7734	23324	0	16395	8114	10095	9086	3373	0	7163	3893	2983	12206	7221	3359	11782	9049	6530	5387	2636	6539	4125	8232	19819	6772	22651	10146	9962	11213	5161	7905	0	6827	5085	0	4375	5261	5495	4534	4001	2933	4632	3210	4118	7445	12289	14433	13302	3839	7239	0	6658	9474	4001	3259	3898	8411	5139	12425	0	7514	2977	0	5264	8817	Lipid	0.42857143	1.5714285	0.04761905
10	C21 H33 O9 N1	444.2228	444.2234	-0.18848221	444.22272	23015	20219	21711	17223	10258	10575	19572	34082	10430	18912	8102	16748	21504	6550	26202	26914	20141	16627	22000	31351	30988	20641	24970	31230	25908	15672	11719	9993	34580	27400	26609	26101	28135	18458	27850	27462	29115	18252	19705	24551	14456	14423	0	0	0	26909	20604	0	32215	30189	20534	20821	12903	0	23164	13371	7754	36642	21553	18349	39086	8830	14189	15509	7163	12372	11914	23056	15803	16276	15054	22953	24937	34228	24599	28042	0	19471	17789	10101	16909	12813	17055	11408	14217	10930	18588	7183	13323	20826	27013	35228	37001	8697	15695	0	24097	28038	8221	13320	13669	29768	17617	42004	0	18783	14978	0	14929	15889	Lipid	0.42857143	1.5714285	0.04761905
8	C21 H33 O9 N1	444.2228	444.22345	-0.17007619	444.22272	16063	15061	12072	13770	7094	6503	9866	22343	10354	12593	4806	7683	12918	4224	11908	14410	9730	8307	9101	14407	13707	15501	13573	18714	9719	6508	8264	5053	17939	19000	15258	20064	16436	12742	18223	18572	16883	10929	11812	11256	6804	7786	0	0	0	11424	8314	0	19591	13802	12306	12505	5808	0	13628	6267	4199	17181	8475	6850	19425	6112	10416	10061	3959	8897	6603	12231	6151	11363	6925	16201	13307	17654	11674	14173	0	11502	11598	16092	8820	6897	8374	6542	7090	5084	11226	6761	7371	12977	17279	21943	23473	5669	12532	0	11556	19187	4680	6406	6792	20301	9148	21012	0	13004	4799	0	10049	15121	Lipid	0.42857143	1.5714285	0.04761905
8	C20 H33 O8 N3	444.23404	444.23477	0.05051012	444.23407	2388	3100	1837	1138	0	1320	1755	1901	0	1224	1393	1188	2326	0	3157	2477	2726	1865	2609	0	852	3768	1838	4684	2622	0	1668	3887	3691	2477	3343	3514	3767	3636	0	4108	2508	1143	1583	0	695	707	0	0	0	2069	1374	0	3928	1890	1470	1960	1112	0	1356	0	0	5179	0	800	0	0	0	751	0	1179	0	2860	0	0	0	2618	2484	2661	1295	1697	0	2296	2640	0	0	0	1348	0	1326	0	1233	1324	1571	2729	20282	15826	5210	0	0	0	3179	2554	0	0	0	3434	1599	0	0	3760	0	0	1764	1837	Peptide	0.4	1.65	0.15
10	C20 H33 O8 N3	444.23404	444.23468	0.029104725	444.23404	0	1362	1644	0	789	1103	1053	1713	1358	1630	0	0	0	0	1124	2594	0	1010	1091	1468	0	2007	900	1772	4090	0	0	0	1205	1107	0	2135	1658	0	0	1484	2769	0	1129	0	0	0	0	0	0	0	0	0	1485	1091	1119	1355	654	0	0	0	0	3319	0	0	0	0	0	0	0	1398	1022	1649	0	0	0	1441	1565	2046	1404	0	0	764	0	0	0	581	1226	0	0	713	1047	0	0	1984	22535	8453	3695	0	1118	0	2484	2786	0	0	0	2114	0	0	0	1942	732	0	1234	1191	Peptide	0.4	1.65	0.15
18	C20 H33 O8 N3	444.23404	444.2343	0.13581634	444.2341	0	0	0	0	0	0	0	0	0	0	0	899	0	0	0	0	0	0	0	0	0	0	0	1734	0	0	0	5363	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2668	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7490	0	0	0	0	0	0	0	0	0	0	21197	13424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1714	0	Peptide	0.4	1.65	0.15
8	C25 H33 O6 N1	444.23807	444.2387	-0.18292771	444.23798	10612	11196	7627	9201	1284	2651	7527	13753	1969	15102	9001	8724	884	1383	7030	16876	10200	2521	4185	24344	20448	6754	7302	16606	7873	11808	7098	8388	13001	10480	10755	14978	17941	9982	14609	17561	17702	7010	12501	11008	4535	6313	0	0	0	7812	6814	0	15201	14086	7473	12020	4437	0	1668	1534	3295	9850	0	0	14061	2677	855	1601	0	2224	5868	16307	5539	12593	15940	12431	11243	12584	10858	12692	0	6682	8283	6061	8918	784	1150	8003	843	0	4382	5429	5487	18572	11470	0	17877	7764	12582	0	8365	8331	0	0	0	17323	7688	11277	0	9681	0	0	6288	1416	Lipid	0.24	1.32	0.04
16	C25 H33 O6 N1	444.23807	444.23856	-0.27445182	444.23795	18629	17766	12279	13629	8783	5047	14598	15251	5922	22029	21714	9570	4987	5591	8870	21562	21669	2300	8687	47201	37176	18978	10367	19453	10935	41185	9490	22097	13990	15218	9708	16852	25379	13886	30439	13166	13905	11599	23204	23441	23230	9859	333	0	0	15247	13591	0	15892	14672	18427	17695	6318	0	3198	4627	4354	17628	4617	14080	13037	10318	3591	3143	3600	5020	10788	22714	30108	48808	49480	11964	13255	11597	17763	12679	0	8786	13233	16017	10108	3172	6537	13497	5049	3269	11833	10023	9705	52504	18164	8815	33023	12597	20809	0	16153	9082	5519	3983	4291	21865	8337	12375	0	18811	4190	0	12517	5231	Lipid	0.24	1.32	0.04
28	C25 H33 O6 N1	444.23807	444.23853	-0.16773327	444.23798	10734	10631	10865	10667	5212	5622	11355	14216	3933	4669	7088	5810	3727	7060	11299	18501	23934	5841	9200	5080	5553	7391	21460	17389	19458	9965	9054	7238	20484	12606	14105	22654	21607	19974	4485	14493	23456	13025	28390	2948	5432	18207	0	0	0	5421	5935	0	17566	10158	11009	9131	7666	0	2537	3288	3877	32862	2678	3137	23896	3440	2433	2356	4111	5227	12597	30539	11002	9774	16308	8047	9701	9129	12995	9628	0	8206	15004	5363	13950	4598	2802	2862	2958	4105	29680	12698	16957	23266	6752	6287	16505	4157	3511	0	10729	11982	2989	5622	6034	26854	6161	5314	2669	28756	2919	0	24184	3161	Lipid	0.24	1.32	0.04
10	C25 H33 O6 N1	444.23807	444.23865	-0.15737373	444.238	12366	12329	13205	13760	3518	4783	9943	20547	1930	20047	10116	7599	1593	3650	12131	17301	14916	4434	6694	35753	29956	10133	11022	17401	11477	23654	9941	15578	16880	15042	12188	16203	27409	15062	27171	18866	29238	14492	17513	20555	9277	8470	0	0	0	12256	8906	0	20864	13468	13467	13018	7674	0	2343	1430	5436	19337	0	0	18938	6676	2444	2347	2972	4151	7508	21402	13728	32108	32091	12428	12572	13732	13246	11467	0	12517	10093	12436	7940	1465	2346	13747	2135	2368	8221	6704	7171	20907	23970	3674	28424	10423	21063	0	12378	13962	1626	1742	1806	21816	10093	15830	0	14155	901	0	9147	1684	Lipid	0.24	1.32	0.04
12	C25 H33 O6 N1	444.23807	444.23865	-0.17701256	444.23798	8642	11601	11702	8233	3806	7082	8538	12954	3504	23884	18435	6398	1378	4145	5716	12381	10518	1800	7324	47115	40174	5203	8622	11964	7044	27773	8147	17548	15903	14115	12706	12443	20946	11626	31531	14773	15238	8780	12770	23667	9693	10153	0	0	0	12535	7293	0	15736	11953	13686	9344	5093	0	2993	1038	3565	14165	0	0	0	5132	1796	2611	3242	4159	6648	18870	0	42939	37270	12463	16263	9714	12141	9041	0	7766	8235	0	8387	1612	969	19055	1452	2193	7618	7775	6745	34634	23362	3395	19975	8346	19670	0	9446	11438	1781	1001	1304	14566	8274	14196	0	14331	2337	0	6040	2464	Lipid	0.24	1.32	0.04
24	C22 H37 O6 N1 S1	444.24142	444.24167	-0.1369318	444.24136	118298	119798	105389	118550	135147	67989	62693	93915	105791	172168	176860	63479	125670	68376	81931	118665	94750	104731	161883	241606	231561	93583	83189	115686	79966	326224	67613	159508	95097	94277	80751	99310	124014	77121	199914	104663	128084	70879	97015	150653	132052	66139	8196	8708	6941	95229	86380	8315	104447	82029	114906	109990	102350	6818	134902	99434	67969	113351	87242	69712	116055	93459	115060	94823	55027	107086	92345	107648	266982	343525	371585	83462	82353	87271	72670	90896	5148	74646	108629	80114	83195	64482	85128	108204	134671	85885	120829	74243	90331	97389	117646	123371	128183	84470	109441	7394	118954	111153	78074	110193	120431	125568	65447	138853	61200	99755	107083	9448	81969	112645	Organosulfur	0.27272728	1.6818181	0.045454547
10	C18 H37 O11 N1	444.24393	444.24448	-0.17762893	444.24387	5808	4601	6358	5022	0	0	3943	0	0	40435	60250	0	995	0	0	0	1621	0	0	1774	1467	2074	0	4097	0	0	32903	171002	1453	0	1132	1250	1941	0	3195	1586	1478	1025	0	1708	3334	0	0	0	0	6274	2031	0	1811	2185	6531	3976	0	0	0	0	0	6424	0	2199	26112	3413	20557	0	0	0	0	7312	13048	5775	4406	0	1106	2853	1303	3680	0	0	0	159225	0	9696	0	0	0	0	0	1382	0	3533	16383	6686	4167	3445	11362	0	3659	6612	0	0	0	0	0	6284	0	0	0	0	0	3949	Unclassified	0.6111111	2.0555556	0.055555556
4	C19 H33 O7 N5	444.24527	444.2459	0.051553875	444.2453	2289	1448	1211	1700	0	1089	353	0	0	0	0	0	0	0	287	925	0	294	0	0	0	483	994	2847	0	0	0	85687	0	0	0	0	0	0	0	0	546	296	0	0	0	0	0	0	0	0	0	0	0	0	1385	959	0	0	262	0	0	927	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	471	0	0	0	0	344	148618	0	0	0	0	0	0	429	414	0	0	47595	14995	1587	6524	0	0	1060	1597	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36842105	1.7368422	0.2631579
6	C19 H33 O7 N5	444.24527	444.24594	0.14208342	444.24533	981	874	1179	1459	0	2138	477	0	0	0	0	0	0	0	753	0	0	0	0	0	0	0	0	0	937	0	0	9043	0	0	0	0	0	0	0	0	0	492	0	0	0	0	0	0	0	0	0	0	0	0	0	976	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	475	41277	0	0	0	0	0	0	0	0	0	0	33309	13946	0	2928	0	0	804	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36842105	1.7368422	0.2631579
2	C19 H33 O7 N5	444.24527	444.24615	0.12200772	444.24533	1027	1216	1439	1791	0	18200	0	0	0	0	1188	382	533	0	0	341	406	789	0	0	0	0	534	634	868	0	0	38620	0	529	779	777	652	555	326	772	958	549	538	0	0	0	0	0	0	0	0	0	0	440	1284	0	0	0	0	0	0	0	0	0	347	0	0	0	0	384	0	641	0	0	0	0	0	679	0	477	0	652	503	267403	265	0	0	0	0	548	432	875	0	1904	52424	22436	2352	12051	0	0	2295	1486	597	0	332	0	685	399	0	0	247	0	484	533	Peptide	0.36842105	1.7368422	0.2631579
16	C22 H37 O8 N1	444.2592	444.25974	-0.16557057	444.25912	12022	14980	11420	11675	6344	7095	16129	20689	8889	2975	3509	11360	11287	5901	17228	20392	24956	7985	12786	5075	4948	4716	13915	14229	11214	5620	12668	6064	19651	23267	0	19764	14880	11670	5212	20232	11567	13668	20840	3654	2385	8625	694	0	0	4922	5530	0	19482	16637	11390	10006	6201	0	10360	14902	6303	17363	5818	7922	14333	2973	11713	7442	6902	7621	12441	14811	5106	0	4679	25649	13402	22814	28531	15866	0	9788	16567	4272	8172	6497	23533	12322	10534	12603	12666	4220	10546	0	18552	9829	0	4662	7334	0	14533	12482	3828	10953	19718	18625	9573	14776	3282	0	6885	0	14362	7474	Lipid	0.36363637	1.6818181	0.045454547
12	C22 H37 O8 N1	444.2592	444.25974	-0.06512128	444.25916	4842	0	5254	3211	1661	1553	6145	13149	1558	0	0	13156	1452	1535	5855	14053	12971	0	0	3953	2710	0	5050	3768	6283	5079	3393	0	9341	26602	13383	9775	6633	5023	1942	12845	8415	7710	11832	0	0	1446	0	0	0	1822	0	0	13568	10062	3387	5101	1613	0	2664	2844	1508	11203	0	0	0	0	1728	3028	1740	0	1967	8377	0	2485	2213	9703	10615	15665	9907	10722	0	12577	15702	0	29252	26369	1469	5796	2725	1588	10782	894	2348	10054	6506	2817	2668	0	0	0	5932	3673	2088	3422	3129	6324	10992	5196	0	3353	1555	0	9518	1807	Lipid	0.36363637	1.6818181	0.045454547
14	C22 H37 O8 N1	444.2592	444.25967	-0.21900976	444.2591	8144	11252	12227	12747	2199	3321	11413	26981	3725	2188	4315	65026	5674	2263	11308	68632	16049	3717	3424	3185	3748	4243	5236	0	12387	2119	13917	0	15364	159546	86807	18118	11588	11022	0	28712	10145	9401	12304	2094	0	3829	0	0	0	2611	0	0	56260	49062	10794	8920	3297	0	7070	5321	1837	20641	0	0	46889	2567	2849	3683	2388	3057	3415	10705	0	2389	0	68145	22737	44353	26578	38156	0	54361	2598	0	3549	1721	2889	1330	4516	3046	7320	2368	3693	6952	11899	2192	7142	0	0	0	10926	12040	1524	4999	6872	14275	37626	6928	0	8119	4549	0	5871	1794	Lipid	0.36363637	1.6818181	0.045454547
10	C22 H37 O8 N1	444.2592	444.25977	-0.13136615	444.25912	6736	6703	8474	7786	0	1020	4818	17290	0	1673	0	12237	996	0	3249	22146	3725	1144	2394	4345	1710	2297	1281	3196	4736	99990	5784	0	10519	89329	58376	13509	7351	8464	1433	15372	9169	2938	3296	0	1529	1807	0	0	0	0	0	0	57179	28292	9884	7215	2023	0	1899	0	645	25882	0	0	20628	0	1151	1291	3412	0	3056	5733	0	1712	0	55901	16025	25523	3789	27228	0	20054	5560	0	3375	6722	0	3997	886	1265	4375	0	2222	4260	7965	4850	4012	1185	1278	0	8195	8043	0	700	1428	8414	6558	0	0	2691	0	0	7393	1453	Lipid	0.36363637	1.6818181	0.045454547
18	C19 H41 O8 N1 S1	444.26257	444.2628	-0.7738305	444.2622	0	0	0	0	2008	0	0	0	0	0	0	0	1893	21958	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1338	605	0	0	0	619	0	0	0	0	0	0	0	0	4107	0	13118	0	0	1777	1791	0	4222	3429	13368	0	0	0	0	0	0	0	0	0	267	0	0	0	0	0	0	0	0	1519	0	0	1380	0	0	0	0	0	0	995	0	0	0	0	0	0	0	27125	12425	0	0	628	0	0	Organosulfur	0.42105263	2.1578948	0.05263158
18	C31 H34 N1 Na1	444.26617	444.26675	-0.21281591	444.26608	0	1741	0	0	0	0	0	0	0	3239	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6928	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5749	0	0	1889	2793	649	0	0	1986	0	0	0	0	0	0	0	24603	0	5309	2393	0	0	0	0	0	0	0	0	1935	0	0	0	0	0	0	0	0	2524	0	0	0	0	0	0	0	0	0	2200	0	0	0	0	0	0	0	2048	0	0	0	0	0	14681	37846	0	0	527	0	0	Phytochemical	0.0	1.0967742	0.032258064
14	C26 H37 O5 N1	444.27444	444.2749	-0.16055617	444.27438	4619	4946	6221	5763	0	2197	4015	9952	0	2826	4167	11417	0	0	7923	11725	5147	0	0	7134	5179	0	3933	7743	5523	5657	6618	0	15142	12705	13036	17157	18607	9205	4190	16307	17507	5591	2254	3634	0	2910	0	0	0	1522	0	0	10867	11209	7656	6587	1428	0	0	0	1432	12068	0	0	0	0	0	0	717	0	2719	13583	0	3831	3345	11084	15053	14132	16197	9882	0	11076	3005	0	2353	0	0	2001	0	0	2118	4237	2937	78801	8279	0	36542	0	4062	0	4555	4312	0	0	0	23959	8974	0	0	25117	0	0	2486	0	Lipid	0.1923077	1.4230769	0.038461536
8	C26 H37 O5 N1	444.27444	444.27505	-0.13203312	444.27438	4996	6123	3937	3025	0	0	4882	8503	0	1355	1851	5203	0	0	5458	9452	65760	0	0	4250	2071	0	4213	6588	2657	422	5351	0	7669	5259	10824	11069	25588	9646	1279	10252	23444	4829	64360	1445	0	1158	0	0	0	0	0	0	10059	8362	3270	5094	0	0	0	0	950	4637	0	0	5080	0	0	0	0	0	634	47655	0	0	3003	7057	7649	6003	8973	7368	0	5717	1280	0	2161	0	0	1954	0	0	1112	674	1339	30947	0	0	23779	0	0	0	6308	5046	0	0	0	28549	4934	2301	0	8086	0	0	2241	0	Lipid	0.1923077	1.4230769	0.038461536
20	C26 H37 O5 N1	444.27444	444.27493	-0.20192748	444.27435	5227	4214	7003	7423	3012	3384	6533	5894	1754	3877	5649	8303	0	0	4421	10225	12145	0	2336	5103	3184	5607	3260	5152	4002	9691	5354	8322	9792	11501	9618	9790	7250	9807	4214	11735	9904	5591	18378	3372	7929	2159	0	0	0	2877	1929	0	8581	7591	4731	7160	3077	0	1927	1207	2042	5133	1901	5981	5972	1464	0	0	1531	2174	3213	15519	7533	5378	10180	7536	10608	8521	12909	11135	0	8409	6261	3515	1339	1250	4905	0	1755	1748	7003	3492	3959	25170	9282	0	7708	2356	2388	0	3466	5186	2826	1213	1344	13534	7881	6526	2064	8450	1704	0	7053	0	Lipid	0.1923077	1.4230769	0.038461536
16	C26 H37 O5 N1	444.27444	444.275	-0.03668227	444.27444	2510	3240	4235	4529	0	0	3907	5946	0	3337	4010	6940	0	0	5369	7603	51103	0	0	6484	2119	0	3662	4999	2545	3570	7193	3605	4790	7443	10848	10984	13770	8323	0	13026	12048	3297	62516	2277	0	1749	0	0	0	0	0	0	6690	6565	6079	5813	0	0	0	0	0	6159	0	0	7300	0	0	0	943	0	0	37027	5222	4171	5572	4799	5856	9137	13534	9814	0	8645	0	0	1147	0	0	2869	0	0	0	0	2183	0	5912	0	0	1355	6730	0	6583	6712	0	0	0	24805	8909	0	0	16100	0	0	1658	0	Lipid	0.1923077	1.4230769	0.038461536
12	C26 H37 O5 N1	444.27444	444.27496	-0.18601707	444.27435	8685	11349	11741	6051	0	0	3592	11652	0	3167	4862	8436	0	0	6597	14508	12443	0	3540	7884	2812	0	6685	7763	9620	3877	7164	0	17389	14023	20125	15475	59710	11017	4048	12149	56514	6927	8585	2323	0	2159	0	0	0	0	0	0	11354	8297	11784	9779	0	0	0	0	2123	12844	0	0	0	0	0	0	1078	0	1651	20263	0	4208	4611	10044	13266	10077	16180	10385	0	8784	2427	0	3405	0	0	4131	0	0	4761	3913	2430	256967	10589	0	155721	0	3321	0	9588	9325	0	0	0	30087	8213	2925	0	36964	0	0	4131	0	Lipid	0.1923077	1.4230769	0.038461536
10	C26 H37 O5 N1	444.27444	444.27493	-0.20716421	444.27435	20676	18995	17967	20781	0	0	8449	9003	0	3300	3364	7306	0	0	7083	9729	193575	0	0	5052	4013	0	4948	7862	4148	1804	5937	2802	11730	7850	9833	13246	468169	9542	4298	13691	1044369	5677	150119	1460	0	868	0	0	0	0	0	0	12483	11919	19489	20818	1581	0	0	0	784	8155	0	0	0	0	0	0	1579	0	1200	217313	0	2563	5745	10263	9109	7127	10513	12841	0	6830	1632	0	2095	0	0	1263	0	0	880	2063	2202	58912	6085	0	25016	1459	1377	0	21920	23046	0	0	0	324520	7345	2450	0	12937	0	0	1953	0	Lipid	0.1923077	1.4230769	0.038461536
16	C19 H41 O10 N1	444.28033	444.28085	-0.15907836	444.28024	32940	39302	40403	42220	26330	19921	15129	15942	18059	40996	51693	19879	28071	19673	15485	9384	23053	15314	10446	33811	17447	43417	13959	18831	15656	11904	27984	55375	12520	16122	15745	14184	19808	14839	24500	8672	20705	17325	23981	46082	28567	14986	35749	35160	26643	70461	30781	33868	16101	15425	37277	35875	26228	48711	8320	11911	24071	26649	124760	29698	189452	69309	130052	11590	36827	46264	41733	23727	19060	69508	22078	15545	15102	15128	7911	18225	29428	17254	11574	54206	13129	20404	15779	15698	19805	27394	12868	37245	16792	0	47965	49099	38472	29982	23224	30609	42084	25953	21206	12774	13125	26390	11964	41897	1784077	28737	16686	31410	15359	42322	Lipid	0.5263158	2.1578948	0.05263158
12	C19 H41 O10 N1	444.28033	444.28113	0.08121688	444.28036	3696	4088	4958	4490	0	1131	0	0	0	27898	42243	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2424	12834	0	0	0	0	0	0	6078	0	0	0	0	15732	16932	0	818	0	0	10972	34879	0	0	0	4908	7473	0	1324	0	0	0	0	264966	0	59346	44697	1540	0	0	0	0	0	0	2778	5153	0	0	0	0	0	191	0	0	0	0	1074	941	0	0	0	0	0	0	0	20773	7003	0	9870	8668	0	5944	6791	0	0	0	0	0	14698	929909	0	0	0	0	1167	Lipid	0.5263158	2.1578948	0.05263158
10	C20 H37 O6 N5	444.28165	444.28177	-0.23856093	444.28156	0	0	0	1122	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29026	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1298	1390	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37032	0	0	0	0	0	0	0	0	0	0	173278	52945	0	5282	0	0	1837	0	0	0	0	0	901	0	0	0	0	0	0	0	Peptide	0.3	1.85	0.25
2	C20 H37 O6 N5	444.28165	444.28235	-0.068012066	444.28162	1455	1092	1177	883	0	0	0	522	0	298	1182	339	934	0	0	411	1803	0	396	0	0	537	475	0	0	0	0	88920	813	0	514	824	0	928	413	912	938	0	2113	0	0	0	0	0	0	0	0	0	0	0	1187	1446	0	0	0	0	0	1045	0	0	0	0	511	0	0	849	0	3275	0	0	0	540	790	0	0	363	0	466	773	15689	0	0	0	0	0	0	1434	532	1332	4043	24845	12961	2644	3017	0	0	1524	1342	0	0	0	0	366	0	0	2996	0	0	465	860	Peptide	0.3	1.85	0.25
6	C20 H37 O6 N5	444.28165	444.28223	-0.1629616	444.2816	3331	2414	1622	3411	0	6403	1103	0	0	0	2148	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1067	128863	0	0	0	0	805	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3552	1861	0	0	0	0	0	0	0	0	0	0	0	0	0	944	0	0	0	0	0	0	0	0	0	0	0	0	0	236704	0	0	0	0	0	0	0	0	0	0	203360	99379	0	14785	1089	0	3261	2722	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.85	0.25
4	C20 H37 O6 N5	444.28165	444.2823	-0.3267545	444.28152	689	540	531	0	0	2444	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	72437	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	892	0	0	0	0	0	0	0	0	0	0	369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	65665	0	0	0	0	0	0	0	0	0	0	39288	12980	0	1785	0	0	565	511	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.85	0.25
8	C20 H37 O6 N5	444.28165	444.28232	-0.03048061	444.28165	2124	4632	3177	2209	0	4302	0	0	0	0	1357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	93782	0	0	0	0	1192	0	0	0	0	0	0	0	0	1099	0	0	0	0	0	0	0	0	1330	3419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	192675	0	0	0	0	0	0	0	0	0	0	338360	145148	1957	19717	3485	0	2161	1549	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3	1.85	0.25
2	C27 H41 O2 N1 S1	444.2931	444.2934	-0.43807566	444.29288	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16290	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	65781	0	0	0	0	0	0	0	0	0	0	23283	2662	0	971	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.074074075	1.5185186	0.037037037
22	C23 H41 O7 N1	444.2956	444.29602	-0.1834268	444.2955	3914	3127	5334	4149	1917	3600	59914	4073	2307	0	1634	1119	0	5272	0	3889	5249	0	0	0	0	1757	1506	2165	3743	4975	44193	4088	2451	3240	1767	4865	4771	2011	0	3324	2746	3946	1961	0	1478	2507	0	0	0	1494	0	0	3602	1111	3725	1649	1410	296	2222	1847	0	2479	1182	1788	4537	0	4061	0	6026	7125	7940	3909	0	0	0	1917	2087	2656	1663	3624	0	1221	2626	2238	0	0	46166	27334	0	4137	4054	2413	1678	6685	9651	9252	3590	0	1752	0	3514	1882	0	0	4179	6185	1391	1746	3623	1527	2236	0	2273	2654	Lipid	0.3043478	1.7826087	0.04347826
26	C23 H41 O7 N1	444.2956	444.2958	-0.19991721	444.2955	4824	4417	3543	3120	6469	2632	43598	8063	2438	0	2504	0	4632	9424	0	0	0	6179	8153	0	0	0	0	0	0	0	22285	13715	5819	0	4234	0	5488	3306	1759	0	7901	0	0	0	0	0	0	0	0	0	0	0	4393	0	4152	2953	4150	0	6310	0	4490	5087	15567	0	0	5604	3673	2250	5185	15197	11122	0	0	0	0	0	2832	0	0	3190	0	0	0	5156	0	3996	8598	7901	0	0	5498	0	4394	1468	20342	26687	0	3783	0	0	3260	0	2548	2810	0	0	0	0	30625	1797	0	0	0	4761	Lipid	0.3043478	1.7826087	0.04347826
24	C23 H41 O7 N1	444.2956	444.296	-0.2112293	444.29547	12179	7429	7443	11060	6533	5170	127222	5902	5486	6045	2407	3404	12926	17683	5912	4533	5656	9020	14044	3327	1588	1861	2572	1971	5026	4701	81589	9763	8926	5994	5486	5692	11348	7476	3116	7553	6673	5068	7288	1558	0	6497	5004	0	0	4453	1543	0	7721	4669	9608	5940	5533	0	10331	3905	9431	7482	6874	3632	7456	2102	9207	4091	26515	32159	37945	9799	0	0	2918	5973	7691	9772	3905	5498	0	3080	2644	8355	2477	2747	39142	28315	4010	11386	7574	7968	6698	2676	29084	22793	5939	2042	2151	0	8907	8900	4613	4296	5428	10818	3622	7268	22092	5130	2102	0	2819	7894	Lipid	0.3043478	1.7826087	0.04347826
14	C27 H41 O4 N1	444.31082	444.31128	-0.122988306	444.3108	1547	0	0	0	0	0	0	1784	0	0	0	1142	0	0	1526	0	0	0	2020	0	0	0	0	0	1594	0	3606	0	2854	0	3498	0	5242	3583	0	0	3785	2379	0	0	0	0	0	0	0	0	0	0	2823	2178	0	0	1693	0	0	0	0	2827	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1752	0	0	1111	0	2394	0	0	0	0	0	0	0	0	0	0	1555	6976	0	0	31191	0	0	0	1524	0	0	0	0	4755	1230	0	0	15604	0	0	0	0	Lipid	0.14814815	1.5185186	0.037037037
6	C21 H41 O5 N5	444.31805	444.3183	-0.29388493	444.3179	0	0	0	0	0	925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7380	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11100	0	0	0	0	0	0	0	0	0	0	37144	1443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.9523809	0.23809524
4	C21 H41 O5 N5	444.31805	444.3184	-0.23500074	444.31793	0	0	0	0	0	2436	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4603	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21878	0	0	0	0	0	0	0	0	0	0	21492	1859	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23809524	1.9523809	0.23809524
24	C24 H45 O6 N1	444.33197	444.33188	-0.39737722	444.3318	0	0	0	0	0	0	57242	0	0	0	0	0	0	6060	0	1672	0	0	0	0	0	0	0	0	0	2385	44787	2399	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	988	0	0	0	0	0	0	0	736	0	0	1841	0	0	1443	0	5260	0	982	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7739	8030	0	0	0	0	0	0	0	1778	0	0	0	0	1230	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.875	0.041666668
26	C24 H45 O6 N1	444.33197	444.33218	-0.284632	444.33185	0	0	0	0	0	0	97133	0	0	0	3007	0	0	14533	0	0	0	0	0	0	0	0	0	0	0	0	62714	6471	0	0	0	0	0	0	0	0	0	0	2598	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2344	0	0	0	0	0	9960	2294	3179	0	0	0	1763	0	0	0	0	0	0	0	0	0	0	0	9153	6560	0	0	0	0	0	0	5944	3885	0	0	0	0	2325	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.875	0.041666668
16	C20 H12 O12	445.04016	445.04086	0.10527356	445.0402	3479	2607	0	2989	8759	1917	0	0	10703	0	0	1001	16808	1686	0	0	0	4885	7360	0	0	6089	1405	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1915	0	0	0	1215	0	0	0	0	2242	0	0	0	2348	1548	4424	0	5353	9239	2933	0	0	0	0	0	20345	7946	3298	10057	3038	0	0	0	0	0	0	0	0	0	0	0	1948	3554	2147	1107	0	0	11361	3037	2277	0	2643	0	0	0	0	11972	2492	0	1865	0	9214	17546	14708	0	0	0	0	0	6930	0	0	19071	Phytochemical	0.6	0.6	0.0
24	C20 H12 O12	445.04016	445.04065	0.01227633	445.04016	4563	5008	3232	3499	14503	8097	1362	0	14005	2340	0	3084	34615	7804	2632	3012	0	23135	16171	0	1426	4934	4715	1973	1761	0	0	0	0	0	0	0	2637	0	2671	0	1739	2326	0	0	0	2157	0	0	0	0	2595	2403	0	0	5178	5060	11421	0	15517	16631	5596	3009	0	1256	2490	1321	31030	16925	3689	17696	6034	2194	0	0	0	800	0	0	0	0	0	2082	10997	1609	11899	0	0	0	27144	8333	2674	2439	5148	1843	0	1422	1450	6232	5451	0	4688	3653	9399	18036	22208	2150	1432	0	2627	1734	13874	0	1479	27729	Phytochemical	0.6	0.6	0.0
28	C20 H12 O12	445.04016	445.04065	-0.04654897	445.04013	6639	8364	9344	7707	20869	9288	2745	0	16777	2138	0	2004	40324	11061	3664	2606	2116	33377	29812	0	2773	5951	6360	3247	2678	0	2434	0	0	0	1459	0	3053	0	5050	0	3118	3576	2740	1051	2609	4236	1284	0	0	2688	3092	1618	1072	0	8212	7478	13437	0	24431	17091	5633	2275	1601	0	2526	1500	38447	20937	5565	24300	6585	2048	0	0	1146	0	0	0	0	0	0	2467	12501	3079	13630	0	0	0	33035	13462	11355	5087	7235	2344	1282	2237	4493	5360	5963	0	10049	8502	11187	22477	21895	3567	1511	0	3438	1555	17337	0	3859	40069	Phytochemical	0.6	0.6	0.0
22	C20 H12 O12	445.04016	445.04065	-0.09073076	445.0401	6037	5242	3429	3809	15211	7396	1365	1383	15021	0	0	1558	24607	5541	3473	1977	1843	18768	9802	0	0	4082	3280	1488	0	0	1742	0	0	0	0	0	0	0	0	1274	4608	3944	1365	2890	0	4082	0	0	654	1363	3621	0	0	0	4746	4258	9296	350	18340	16422	5993	3096	1541	1213	1457	1219	32204	13174	5988	20963	2682	0	0	0	0	0	0	0	1445	1290	878	1448	11411	3960	8803	1634	0	0	18923	8796	5235	5970	6017	1332	0	0	0	6864	5239	0	4410	3137	10627	20337	17865	0	1517	0	4015	1667	13034	0	2192	27301	Phytochemical	0.6	0.6	0.0
18	C20 H12 O12	445.04016	445.0408	0.066170685	445.0402	5289	3865	2426	3817	11819	3645	0	0	11861	0	1890	1306	25116	3794	2270	0	0	14264	11176	0	0	7197	1972	0	0	0	0	0	0	0	0	0	0	0	2729	0	0	0	0	0	1825	1344	385	0	0	1423	2747	1131	0	0	4070	3824	6701	0	9460	17753	4933	1287	0	969	0	1514	26538	13106	4945	16257	1677	0	1591	0	0	1314	0	0	0	0	0	0	3140	4152	6904	1419	0	0	16306	6081	3525	4885	5282	0	0	0	2129	11348	1896	0	2696	2198	9103	23068	13376	0	1235	0	3121	1527	9224	0	0	24957	Phytochemical	0.6	0.6	0.0
20	C20 H12 O12	445.04016	445.04068	-0.005311371	445.04016	6443	4426	3928	2050	13922	4879	2256	0	16046	0	0	2824	21514	8045	3061	2193	1701	18527	12206	0	0	5532	3630	0	0	0	2012	0	0	0	1625	0	0	0	0	2231	0	2437	1641	0	0	3407	896	0	0	0	1554	1816	0	0	5122	2365	7537	0	10478	17255	8253	0	0	920	0	0	28872	15038	7112	20121	4401	2824	0	0	0	1240	0	0	1417	1496	427	0	8143	2343	6056	1808	0	0	29083	6904	5442	6225	5484	2539	0	0	0	9588	4982	0	3640	2853	12656	23246	18491	1779	3411	0	1560	0	11627	0	1935	33046	Phytochemical	0.6	0.6	0.0
26	C20 H12 O12	445.04016	445.04053	-0.09249816	445.0401	5585	6367	6376	7326	19241	9034	2467	0	19515	0	0	0	34592	10346	0	0	0	29851	30007	0	0	4639	5533	0	0	0	0	0	0	0	0	0	3459	0	2655	0	2455	2939	0	0	0	0	0	0	0	0	0	0	0	0	8240	6057	12648	0	20552	18926	5839	0	0	0	0	0	43638	21742	4415	24947	3657	0	0	0	0	0	0	0	0	0	0	3122	14025	0	13697	0	0	0	28821	14021	8494	4471	6591	3564	0	0	0	6247	0	0	6651	6106	6907	21701	18239	0	0	0	0	1663	12864	0	2598	40703	Phytochemical	0.6	0.6	0.0
22	C21 H16 O11	445.07654	445.0771	-0.017339302	445.07654	18931	14616	15506	18135	40362	19594	3806	2250	39281	33141	12026	4293	56837	21261	8974	2255	1706	49042	30869	14908	14599	41457	13043	3506	11141	6320	5908	3248	1179	1855	1969	0	3547	1636	34968	1376	6248	8046	2233	11486	9521	7932	2379	0	484	14414	31890	0	2555	1309	16103	20891	25402	684	41109	38344	17023	2445	4891	4256	4072	10117	61897	44086	12766	47563	9713	1718	9932	16376	18329	1322	0	1223	1264	2410	910	3508	21894	25770	20812	19713	2290	7107	58036	27088	17490	10482	13436	4763	5652	6945	4575	36000	41415	0	16196	18123	33331	50694	42705	3157	3868	3157	16748	4240	29269	0	5771	69472	Phytochemical	0.52380955	0.7619048	0.0
18	C21 H16 O11	445.07654	445.0771	-0.080508225	445.0765	46457	46918	40718	43786	73258	41545	12028	9839	86240	77779	47173	8522	126048	33138	15297	12788	7746	85054	81674	63667	60869	107964	32975	10555	11984	15726	9322	19061	8140	3059	6078	4379	11168	4836	107506	3516	14074	18610	8496	39713	47748	21052	2425	350	379	46387	80126	1197	8553	1889	35452	44308	46530	396	93199	69726	33963	17186	13641	10342	8966	35887	140985	71404	33002	87426	32215	5282	26500	23509	40047	6283	3948	1771	6799	0	374	10527	44406	60260	34592	57553	9491	15761	98306	42889	35738	24136	28750	12665	16693	22467	19521	93543	119953	489	46515	43715	68978	81586	83017	19630	9034	14168	47144	14017	57549	0	11623	122225	Phytochemical	0.52380955	0.7619048	0.0
24	C21 H16 O11	445.07654	445.077	-0.070342936	445.0765	10584	11065	10247	12246	26829	14824	1573	0	25629	17443	4309	2918	52069	10975	5579	2826	0	35211	28543	14611	14106	24070	8987	2385	3239	3647	2432	2368	1500	0	0	0	4016	986	19516	0	3819	5024	1127	5850	6794	2090	0	0	0	9177	12191	0	0	0	14173	12117	19619	0	33564	26480	8866	2270	3537	3292	1540	6264	50902	28158	6900	33516	6881	1417	3802	7995	8385	0	0	0	0	1300	0	1595	17955	15989	17134	8271	2584	6006	39626	12473	10426	5592	7167	2553	2938	3669	3917	26105	36879	0	15066	9491	17788	28268	31798	2059	3997	3982	9912	2645	21305	0	3989	45745	Phytochemical	0.52380955	0.7619048	0.0
14	C21 H16 O11	445.07654	445.07712	-0.079758234	445.0765	35201	47129	29947	30180	58739	24252	8357	5594	61384	80373	70377	8810	83030	18118	9684	5700	7734	56624	54441	55533	58352	112330	16507	10622	4437	10697	8568	15625	0	1695	4340	0	9543	2852	111529	3003	10848	14884	8184	30063	40410	22836	0	0	0	37351	86783	0	3149	3261	32131	27244	36039	0	59881	51113	21386	7949	11969	11875	0	30809	102900	58922	26397	67292	23226	8806	28392	25939	41194	2630	3312	0	4092	3874	0	9674	31611	73037	26247	44214	4759	13245	66502	32830	24822	18688	21748	18109	6610	17442	11299	117441	93830	0	32520	31339	49153	74323	59091	8435	8295	12891	36523	11751	41476	0	7955	67447	Phytochemical	0.52380955	0.7619048	0.0
26	C21 H16 O11	445.07654	445.07706	-0.09016861	445.0765	7304	7690	7125	9419	23051	11392	0	0	21257	15539	4398	4450	46415	12125	0	0	0	35501	23506	5907	13405	17824	8171	0	0	0	1541	0	0	0	0	0	4120	0	18372	0	2876	3363	0	4118	3527	0	0	0	0	0	13878	0	0	0	9416	5706	12623	0	30848	19867	6290	1690	2682	0	4312	3178	39677	22362	4440	20402	4642	0	0	4268	7728	0	0	0	0	0	0	0	13622	8536	13213	6061	0	2737	28306	17834	8349	5820	6257	0	3264	4132	6850	17231	29266	0	9818	7775	14408	23585	19107	0	0	0	0	1992	14005	0	0	43451	Phytochemical	0.52380955	0.7619048	0.0
16	C21 H16 O11	445.07654	445.07712	-0.061877087	445.0765	44049	44568	38002	47560	72796	31656	8102	5630	81416	97702	60986	12294	114894	24585	20018	13329	7807	92892	82183	60368	77023	113814	26545	9625	6595	16931	6463	24341	2151	3021	6760	4302	15705	7408	128922	4693	17941	16621	10805	40136	48776	22212	1763	0	0	51191	92471	804	6906	4359	35766	48592	43083	326	78803	64924	33459	13802	15490	15577	14401	37171	137734	72713	24468	86368	32227	8551	34650	25407	37009	4650	5769	2800	6869	3882	0	9782	45139	74573	31584	56369	7891	22123	87135	34665	30559	26103	24627	0	11909	23668	0	111621	106028	0	51438	49535	67077	82034	83891	12461	8336	10090	52992	16087	65236	0	11150	121301	Phytochemical	0.52380955	0.7619048	0.0
10	C21 H16 O11	445.07654	445.07724	-0.009463693	445.07654	8066	5662	4279	5354	13596	4994	982	0	12876	12933	11948	1060	13458	3403	1856	0	1617	10863	8785	6312	11782	15479	3130	3807	0	2304	1786	0	0	0	988	0	2100	0	23175	0	1144	1680	2103	4034	10480	3911	0	0	0	5141	12778	0	0	0	6129	5584	4956	0	7782	13286	3112	2044	2651	1851	0	3699	21204	12845	4874	12317	4295	2170	11979	6113	14306	1681	1033	0	1870	0	0	1455	8038	5512	3436	5181	0	1814	19100	5049	5067	3175	3947	3080	0	0	2379	17671	13470	0	4998	3904	16695	20431	13124	1600	1712	0	0	2837	12994	0	829	21172	Phytochemical	0.52380955	0.7619048	0.0
20	C21 H16 O11	445.07654	445.07706	-0.056143682	445.0765	30549	29893	29626	26323	52627	35748	7139	4471	66148	49503	21759	7849	102846	29444	15419	3981	3008	68806	58840	37353	35806	63605	19858	6206	5025	14011	7280	8497	3831	3743	4106	1502	9904	3566	60998	3256	11259	13351	3840	18023	23637	10100	2332	0	465	35962	46801	1860	5133	1424	25255	31672	37936	556	66483	50170	23155	6455	7714	4580	7759	18832	103104	62802	24050	80708	15985	5356	14962	19306	25272	4341	0	0	3089	1396	422	5673	32125	44876	29731	31924	4520	7174	68279	31899	25204	16093	17978	10169	15279	16009	9323	75045	71726	539	30148	27449	44033	68511	63623	9828	4568	7185	30182	10671	51758	1161	8536	106055	Phytochemical	0.52380955	0.7619048	0.0
12	C21 H16 O11	445.07654	445.07718	0.024666188	445.07654	20721	17792	18433	23565	20884	10941	2930	2492	32753	42734	40734	5230	30413	9423	5991	5373	3711	21183	25740	22159	33237	43261	10192	6716	0	6117	3233	8736	1718	896	2316	3420	4102	2812	54519	2494	3687	6769	4491	15933	40238	7234	639	0	0	19499	45264	0	1720	1382	16170	17174	15868	0	23646	26055	11612	3923	0	10730	0	12334	50392	31720	8549	34824	9475	0	17686	12711	25211	1130	2855	1347	3648	1280	0	3834	14897	0	9717	22471	3404	5034	32325	13593	11260	10210	8780	9536	3705	0	3415	61162	38106	0	19917	18997	40297	43147	31755	3410	4874	3698	0	4894	26478	0	2654	45156	Phytochemical	0.52380955	0.7619048	0.0
28	C21 H16 O11	445.07654	445.07697	-0.123757295	445.07648	8020	7608	6458	9217	17173	9088	2297	0	17084	12336	2871	2390	34269	9682	4906	2430	0	26608	21874	6659	8356	14059	6906	3802	3752	0	2331	1076	0	0	1158	0	2971	1338	15350	0	3289	4486	1383	3616	4684	2292	0	0	0	6522	7582	1463	2816	0	8807	8111	10004	0	23221	14790	5978	3123	1596	1254	3501	2246	32161	18940	5129	22633	6636	1840	5035	4800	5556	0	0	0	0	0	0	1805	11883	8000	10338	3617	2212	1753	24358	10089	9321	5179	5224	2511	3429	3744	2886	13951	20046	0	7521	8539	12820	15907	16064	1959	1368	2279	4627	1488	14224	0	3616	30971	Phytochemical	0.52380955	0.7619048	0.0
14	C20 H16 O10 N2	445.08777	445.08838	-0.029411182	445.08777	14857	7648	7833	6556	11199	4386	0	0	14704	22908	11088	2581	24394	2805	3231	2627	2608	15597	16421	15070	30140	34902	2277	4070	2839	2168	1709	0	1985	0	0	0	4342	1413	35469	0	2302	1991	2486	12629	31612	4527	0	0	0	13960	40355	0	1918	1391	9065	8766	4240	0	18146	11962	3789	5144	0	6655	0	19457	29200	16986	4837	12413	5356	3505	0	6523	12231	1235	0	0	0	1030	0	2649	7298	0	4813	15735	1639	4902	18799	4484	5093	3480	3707	14305	0	4707	7328	32514	33594	0	7872	7176	8843	15433	15578	4633	0	5087	19440	2324	10428	0	1925	22757	Phytochemical	0.5	0.8	0.1
16	C20 H16 O10 N2	445.08777	445.08835	-0.028072124	445.08777	6929	6051	7281	7554	9447	3481	3381	2313	14837	25138	12582	2027	21848	4289	0	3860	4292	14250	10388	11618	24472	34092	5057	1868	1780	2253	2219	5721	0	0	1227	0	4114	2161	31146	0	3304	2698	3098	18234	30115	3788	0	0	0	16028	33234	0	2027	1078	9511	9566	7821	0	17868	7480	3408	4339	1957	2364	0	15994	29741	15620	4152	19159	5336	4303	6760	5917	12619	2891	1231	0	1569	1390	0	2409	5955	24535	3752	19635	1021	6800	17334	3580	6107	4851	3834	0	0	3113	0	37906	30376	0	8557	10422	9870	11442	11805	3083	2038	6462	20949	0	8800	0	1504	25690	Phytochemical	0.5	0.8	0.1
20	C20 H16 O10 N2	445.08777	445.08832	-0.14696808	445.0877	5024	3082	3496	2686	7984	1291	0	2299	5784	10127	2568	1497	9272	0	1546	0	1308	5337	7816	5051	10008	14974	3267	1596	2335	0	1760	2002	0	0	0	1653	2772	0	9128	0	4420	1905	2381	5002	11830	1429	512	0	0	4338	16483	0	1652	0	4081	5983	5288	0	7940	5808	3380	2804	1666	1885	3003	7244	11925	4059	1957	6253	2095	1486	2294	0	3677	0	0	0	0	0	0	2062	5126	12727	2696	8325	1260	0	8804	3063	3723	2852	1087	0	2582	1840	2965	23091	15414	0	3908	3212	2831	3986	3642	1983	1633	1801	6305	2173	3984	0	2393	12979	Phytochemical	0.5	0.8	0.1
18	C20 H16 O10 N2	445.08777	445.08832	-0.07692142	445.08774	10594	17122	12894	18294	19442	13700	3736	0	24138	39915	14694	6267	37944	8876	0	5938	0	21910	22657	23397	38906	64022	6552	5608	3306	3875	3420	3196	0	0	6044	0	8330	0	45000	0	5168	4252	6004	31576	39658	11666	0	0	0	24738	53563	0	6082	0	11756	14244	13156	0	27932	17344	7542	9724	4798	5618	6074	22565	44382	21628	8418	21642	11260	5408	15228	7005	22765	4161	0	0	4697	0	0	2100	8606	43445	9376	26210	6026	12600	22798	8784	15971	7306	9559	15924	6262	12924	3591	56224	62883	0	14960	14343	13978	18278	21826	6771	2680	7692	21448	9284	9819	0	3862	36753	Phytochemical	0.5	0.8	0.1
18	C22 H20 O10	445.1129	445.11346	-0.08029808	445.11288	145695	130403	129752	131904	160070	117868	41825	46519	162764	442672	210838	39587	258630	93517	69428	58129	32311	217414	211322	308781	290101	252254	85669	62954	46576	193892	36778	142175	46490	36726	47656	43323	69567	38056	519664	41814	69792	58022	37086	198912	129666	59401	5102	508	405	224979	198093	823	47967	47222	141034	135083	106746	922	203937	146063	75956	81777	61685	36042	62150	143900	260813	149287	74363	184362	87370	36277	179713	280179	248120	38363	32906	29907	32653	34394	572	38662	112601	154670	93775	200321	47637	136299	181839	105556	95439	65973	73540	46358	73074	94347	88410	205195	277022	1047	129264	132117	160804	152007	146341	59187	38427	63445	144249	47019	132647	723	50996	232565	Phytochemical	0.45454547	0.90909094	0.0
24	C22 H20 O10	445.1129	445.1134	-0.096278645	445.11288	24289	25538	24068	22908	37294	20720	2742	5142	38035	69354	21030	5924	67207	17937	9117	8726	2640	40089	44186	37971	39311	50207	11982	9136	9568	32306	6926	12452	3812	1890	2332	3560	7718	3686	72448	2469	6920	6810	2930	28680	23005	6590	0	0	0	32111	41298	0	3852	2910	20843	20941	17120	0	50205	36332	12930	7176	5022	5985	3606	19455	69977	37732	14938	39105	11636	2708	35257	50825	46430	4687	2502	0	2544	3167	0	4592	26940	25092	22762	27279	4124	20353	51890	22498	18696	8308	11765	4344	11486	8125	9209	44297	65644	0	23847	21472	30190	38878	36794	5209	5713	6656	26436	7823	29674	0	6890	70395	Phytochemical	0.45454547	0.90909094	0.0
8	C22 H20 O10	445.1129	445.11365	-0.013444789	445.1129	8469	10148	6967	7910	5920	3426	3222	3011	9653	19807	15020	4872	9559	4099	2852	5667	4246	5607	8127	15168	13609	10705	4537	4951	1012	8884	3845	7606	3350	2559	3103	3196	5546	3237	31070	3543	3564	5436	6218	8998	13622	3780	0	0	0	8143	17748	0	4506	5021	7407	9840	4992	0	7242	5727	3526	5037	2639	5975	0	6859	10474	10102	3527	5307	4491	7427	12771	17037	32782	4831	4047	2355	4087	3520	0	3613	8899	4662	7145	7416	3136	5247	7913	4298	5358	3778	4997	7719	0	0	5512	11360	13226	0	7415	7604	10547	9701	7298	2901	5033	7095	11337	4023	8731	0	3620	8984	Phytochemical	0.45454547	0.90909094	0.0
16	C22 H20 O10	445.1129	445.11346	-0.06730539	445.11288	151832	148280	122223	147498	150047	93408	44118	55366	163717	451803	240651	39265	208237	83927	67613	67633	36243	178504	186539	291445	283984	262125	76858	59169	47242	213125	46731	151262	47541	42617	53010	45995	75183	45929	543595	44665	74974	61408	51772	206098	179289	50715	4713	441	0	225163	267670	673	58061	46897	141837	143004	99451	476	157680	120375	71932	74654	66424	53398	61748	147292	243354	131544	63339	174252	81187	39602	203796	289510	309296	50343	47693	38081	40638	48862	0	40584	124089	159361	92924	206965	55264	135546	161011	87087	94447	66799	70698	81918	81539	114304	70795	215016	286918	1075	145283	114549	145878	136805	131107	68977	43932	67502	166455	61552	123804	583	58556	201374	Phytochemical	0.45454547	0.90909094	0.0
10	C22 H20 O10	445.1129	445.11356	-0.06739178	445.11288	25236	27742	23015	23753	21911	14686	8478	13539	24809	63377	35648	12870	20753	10980	9767	15321	12331	21297	23501	40046	52911	38013	13193	14517	5210	30204	12097	23231	9403	10688	10858	12738	14925	11600	80916	9957	10829	12602	17682	32179	40833	9098	648	0	0	30213	57382	0	12091	13016	22885	21617	9781	0	24593	17148	10510	16723	8184	12423	14332	18744	28455	20510	10863	22449	13296	19047	49792	46170	71813	13487	8089	8401	13681	11416	0	10239	21297	18323	20582	30221	9875	16869	24969	12101	19869	7616	11540	17467	10995	12873	15592	35763	37041	0	20544	22939	27091	22958	21708	11926	11501	16694	40281	11255	17129	0	9207	27531	Phytochemical	0.45454547	0.90909094	0.0
14	C22 H20 O10	445.1129	445.1135	-0.09460723	445.11288	109287	107802	101776	106579	99345	63879	39395	47948	112410	327158	176321	41700	123723	52209	46025	60278	41188	112652	119012	211254	204183	190976	61025	55475	29842	147896	41250	133146	32171	40265	35412	46060	49867	38823	377252	35547	55991	45152	41942	125106	162984	40452	0	0	0	152377	234300	0	48838	34803	108054	98858	60474	0	110492	81630	49939	56491	60418	49204	55489	109196	149394	94921	43816	111850	56809	45012	191122	208171	231452	40433	40859	28087	36553	45345	0	36313	86246	148379	72532	144835	35436	90623	107076	61091	71390	52252	55682	45670	56986	65278	64233	177813	186414	497	112195	93668	95987	99560	80604	44002	36222	57833	196984	56174	83682	0	40069	125980	Phytochemical	0.45454547	0.90909094	0.0
26	C22 H20 O10	445.1129	445.11337	-0.1231529	445.11285	16413	14851	10393	12460	23143	11961	2076	0	30458	36977	11713	3812	47198	10518	6790	6343	0	31217	28185	24273	24077	30804	11195	0	0	15606	1557	8386	0	0	2845	0	3081	0	37521	0	5071	5551	0	16372	11432	0	0	0	0	14916	19957	0	0	0	13950	11950	15758	0	32857	22869	6725	6093	3348	0	0	8963	39746	20992	8248	27097	4622	2982	16603	31518	30372	3558	0	0	0	0	0	4769	15125	19086	13749	11975	3857	6394	28758	13076	10022	5740	3941	2075	4875	5922	0	19265	41118	0	12817	10183	15721	24337	28333	0	2939	0	10629	3726	14883	0	2661	40908	Phytochemical	0.45454547	0.90909094	0.0
28	C22 H20 O10	445.1129	445.11337	-0.112631105	445.11288	8696	10655	9190	8849	14890	7470	2896	0	14765	24572	6550	1966	28131	7752	3417	4068	0	17435	15238	13059	17152	15291	6486	5078	4085	9472	2880	5933	2204	0	2006	1273	3710	1842	21421	0	6880	2777	1766	6165	8107	0	0	0	0	10017	12390	0	1657	2659	8104	10234	9297	0	19605	14186	5337	2447	2705	1888	3954	5387	25708	14488	6097	14069	6402	1898	14041	20472	18765	1593	1409	0	0	1588	0	1628	10769	11200	8538	8673	2093	7387	19132	9045	9004	3278	3875	1946	5417	6367	3759	13864	25758	0	9176	9618	8628	14225	14944	2605	3070	4110	7885	3259	10438	0	3449	20084	Phytochemical	0.45454547	0.90909094	0.0
12	C22 H20 O10	445.1129	445.11353	-0.09380704	445.11288	52618	65909	64492	60839	48442	22654	30258	30138	56315	167307	109684	25151	51828	19670	19993	34436	24316	46554	59529	109230	101136	109334	29211	36244	16229	66432	27599	63831	19280	19751	18974	27642	31872	20816	193124	21332	27321	30006	26935	68182	115951	20163	1065	0	0	83403	151096	0	27508	24076	61407	65005	31003	0	51477	37929	23286	39573	36012	34004	29700	54757	76125	43201	22514	53337	26743	26358	110677	110718	148000	21725	24687	18836	20830	25802	0	20200	42179	77231	40059	78516	19834	43409	55775	31704	43866	20434	24053	45161	36531	32709	35902	88920	85754	0	66934	62319	56122	48277	42947	35188	17409	33869	75605	29380	45877	0	22531	56941	Phytochemical	0.45454547	0.90909094	0.0
20	C22 H20 O10	445.1129	445.11343	-0.10976798	445.11288	90644	92966	98848	80584	131621	92066	27637	30506	139985	268749	129035	25907	197440	73473	39318	40949	21169	166558	156797	181021	167732	170478	56627	42883	40568	136662	26421	88457	22182	17225	27572	18947	42920	25274	340075	15557	53737	36129	23196	140243	91170	37426	5348	0	494	154753	170173	1651	30004	20503	92813	98078	85090	1077	138830	118226	58015	44694	40547	20825	36781	90446	218449	105021	54829	137702	65072	21952	133010	206078	163614	27028	22559	13730	13886	21681	838	27308	78739	105628	58974	124331	27606	102594	138526	70961	63795	45900	48840	30082	60354	81519	51194	146513	159786	1463	97975	88624	115194	116955	119120	38591	26478	45214	127955	35113	101035	902	34639	215803	Phytochemical	0.45454547	0.90909094	0.0
18	C19 H24 O10 S1	445.1163	445.11707	0.3744544	445.11646	6934	17996	7486	5720	18416	8668	4010	5771	23280	35784	7615	6064	29644	2515	5917	16336	5021	25520	26040	8725	14683	16369	5921	16822	4421	2998	4738	6113	5716	4980	7219	6193	7795	0	42834	5066	0	6325	5220	36346	7341	12648	0	0	0	23750	35220	0	6837	5128	9100	21880	8629	0	29888	15070	5281	6181	8911	17784	17000	27486	22662	17724	6019	9992	18910	6142	16978	0	6926	12204	3751	5670	14102	0	0	12874	4422	16614	5894	19226	7642	4779	19942	7273	4495	14616	7046	6595	8298	22697	14664	8299	34812	0	12022	17620	20022	4789	8056	5336	11686	7210	24778	5724	20350	0	5174	18740	Organosulfur	0.5263158	1.2631578	0.0
0	C16 H20 O11 N4	445.12015	445.12115	0.14540185	445.1202	4731	3724	7573	2905	4924	0	4075	5607	5679	6741	4679	5253	5161	5044	4759	8078	5817	5917	5054	4772	6391	3931	5525	5053	6047	6748	4453	4624	6296	5708	4069	4179	5857	4399	4944	7031	3805	4575	4089	4351	4084	53505	6448	6909	8850	6165	6121	5334	3617	6358	4606	4032	6067	8254	5785	6278	3635	4118	6037	5417	4666	6563	4427	5694	4626	4730	6975	4572	6533	5855	4531	3669	3779	5399	5369	4027	8692	4960	5187	6928	5041	6271	4202	6153	6480	8709	5466	5299	4358	2841	4396	4716	6146	6811	5218	6823	4384	5519	3908	5519	6732	4956	4044	5783	5438	4400	7026	6183	4775	6031	Peptide	0.6875	1.25	0.25
8	C16 H20 O11 N4	445.12015	445.12085	-0.12398765	445.1201	49476	51068	34338	45348	33882	23482	17904	30738	42072	115512	71432	33182	57366	15312	25402	35230	26370	36256	37612	76622	100904	78100	28112	39566	21292	29850	18190	35964	24956	24970	27904	28468	34240	26570	132878	21696	35196	25340	27640	78938	105096	25374	12872	9432	11848	81022	115232	9788	34836	27214	41912	47130	30888	13570	54612	36860	26912	27146	21214	35556	22950	63052	70486	42376	20798	41188	26304	30034	63822	62770	110816	34368	29604	27674	29448	26818	11388	21206	36176	48510	26300	48898	20818	38138	45604	23334	26566	23492	26264	41244	0	29698	55416	78342	93708	10980	41502	37666	39300	87082	39856	31186	22468	33356	50592	32554	36136	10206	19964	62238	Peptide	0.6875	1.25	0.25
20	C21 H20 O9 N2	445.12415	445.12466	-0.10798082	445.1241	24833	21051	35053	18521	25484	17966	6063	12507	33884	74148	75351	11034	32016	14137	12251	19695	12692	28549	33069	37911	45650	50187	7215	16060	13707	124624	15403	34778	11212	4039	7791	11135	8945	9513	86177	6241	9608	5068	9842	46677	42412	6564	627	0	0	22536	51018	0	19453	5287	41107	32202	19649	0	15719	17474	20300	19440	15104	12353	19573	35283	31827	13516	11322	14069	6855	7152	99397	77167	144444	6625	9551	2410	4339	2803	0	7376	30447	39136	14316	29698	20886	18802	25367	18882	22203	12511	17132	23797	14228	24505	11904	52809	62218	0	17205	22480	20321	12816	17015	8867	12135	17047	37789	12583	17702	0	9070	26266	Phytochemical	0.42857143	0.95238096	0.0952381
22	C21 H20 O9 N2	445.12415	445.12466	-0.15384248	445.12408	23258	19040	16578	17662	26442	11666	2430	5753	18298	50062	51954	6898	17844	0	7300	4944	10552	12562	14750	18516	36916	45102	13420	8026	9266	78208	4384	37444	7698	6794	4466	0	11030	1885	65992	3350	18124	6750	9906	31562	38652	12080	0	0	0	31402	54482	0	6098	4140	14014	23206	16792	728	15254	15682	4058	6940	9490	5576	10992	28212	25634	19978	13582	12984	18130	11464	58954	65240	97106	3952	5370	2276	3960	3796	0	6024	24390	36070	14114	34168	4752	25148	14378	6444	21302	0	10624	21704	4916	15884	23378	55058	60054	0	16556	19236	11234	19010	12478	8664	6120	14462	33734	11600	12326	0	16962	27398	Phytochemical	0.42857143	0.95238096	0.0952381
10	C21 H20 O9 N2	445.12415	445.12482	-0.077468306	445.1241	31735	28630	26570	29043	24223	13966	10600	10178	30383	78832	40767	10083	41763	13214	9309	14210	13636	26977	27455	62703	83816	66888	12723	17841	8364	31558	10380	24505	9594	11015	9254	9898	19108	13125	102681	6541	20193	11203	16676	62864	75948	10983	0	0	0	55102	89327	0	13521	10462	33734	28140	16074	0	29766	24008	10872	15461	9834	17270	11671	39779	46181	32319	10106	31003	13062	18723	56279	53608	82610	12842	10028	6590	11296	9347	0	10507	19783	39576	16528	39721	10557	30953	28681	11375	20436	14308	11878	28169	20285	18585	24291	57612	66488	0	29911	66650	18519	28290	27905	16913	8519	16658	46556	15083	18700	0	12288	42758	Phytochemical	0.42857143	0.95238096	0.0952381
18	C21 H20 O9 N2	445.12415	445.1247	-0.08313407	445.1241	26936	29782	24305	26007	26066	15075	13005	11076	16786	70380	35916	8060	34788	12254	13394	17222	12175	23939	21423	41475	59211	62995	13137	24211	13138	17822	8226	18786	12536	8477	8896	9433	15326	9789	83591	9307	19823	12535	15107	58315	49787	12144	614	0	0	47247	55198	0	9645	7110	31077	25441	18643	339	55520	20952	12617	20201	12214	9289	13554	32307	40225	21105	11022	29353	17250	12973	29247	46484	41265	6538	7149	5286	6971	8205	0	9789	20486	37812	17196	75344	10626	32004	24818	13858	22024	12254	15002	24375	23694	31022	37011	53035	71163	0	22493	23967	17679	22168	18392	14199	6500	13609	29584	17920	18666	0	16472	34527	Phytochemical	0.42857143	0.95238096	0.0952381
10	C19 H24 O12	445.13406	445.1348	0.10801964	445.1341	65923	50552	40411	42172	41777	34621	32687	55381	51571	70262	50700	41132	127218	17602	45518	44879	41474	113624	62943	52502	78130	89839	51431	52866	23251	0	31957	15452	44793	46459	47080	45080	55220	29943	92840	40218	57106	35340	48145	38194	97730	37242	0	0	0	45652	59802	0	47699	42247	49950	69267	28230	0	137585	40283	28629	55906	52043	47400	39496	37563	61797	106560	29695	49727	39084	44268	0	19530	20952	46128	39327	39730	36259	32678	0	42532	42256	20380	37736	32360	23559	19462	49822	26944	40455	33087	41945	46969	0	23994	55884	57249	52021	0	59504	57102	39244	47389	53286	60305	39495	51850	0	49934	45780	0	28468	160143	Phytochemical	0.6315789	1.2631578	0.0
18	C19 H24 O12	445.13406	445.13464	0.020786416	445.13406	30510	36526	34094	28517	28624	21991	18425	23186	44793	115386	55582	18444	74025	13248	22315	15901	8019	57891	38269	83515	80214	87696	22827	34754	15585	92762	7372	32720	18472	19514	26120	22550	26302	19064	106680	17140	25882	24234	11396	56397	57571	18972	771	0	0	31317	54062	0	18646	24059	33988	39798	20254	242	73185	15773	8500	17090	34748	20802	14520	49115	58086	50107	11539	34781	29886	10847	89790	90781	155260	28863	21901	34397	14830	12186	0	19565	15126	50825	16605	48994	22138	48309	27786	17993	21468	19479	17338	12703	18327	35078	29158	58733	61740	0	43583	28133	35692	15045	9931	30508	15554	31849	45038	18935	26939	0	17188	51822	Phytochemical	0.6315789	1.2631578	0.0
16	C19 H24 O12	445.13406	445.1346	-0.049605306	445.13403	51299	48159	47900	48332	43307	42861	25834	49178	84883	103398	31467	26482	109583	18611	48707	18178	18850	102770	95779	73930	59412	79151	49621	36229	25545	54640	18998	23304	39661	33951	40152	44775	58927	32770	125700	42915	50178	45341	17681	65546	53626	32621	793	0	0	64884	55516	0	38599	37215	45884	48571	43784	0	141208	40226	26840	45750	61733	17650	30770	52123	102244	96584	16635	61421	41518	19096	19806	87884	49214	48677	40245	40989	21450	31676	0	38150	33974	32911	29201	48685	21943	29083	36332	27357	21521	19101	39811	0	29848	57088	68011	59999	86827	602	58033	51014	40036	31461	23667	43654	31696	33616	46225	39547	39813	0	21631	102133	Phytochemical	0.6315789	1.2631578	0.0
12	C19 H24 O12	445.13406	445.1347	-0.019131565	445.13403	256596	284724	318834	211350	169356	160791	195330	292851	323337	431496	324210	186294	419712	98598	256146	194448	195846	370164	376812	391452	440067	544062	292602	198078	118862	58857	144726	110466	235170	203640	197523	228555	289485	212268	591654	202758	282300	220530	148680	257130	253878	190026	2232	0	0	299229	397560	0	263661	232254	306474	261354	215904	0	460386	229200	120960	202119	329316	113970	191610	219960	472518	327138	126879	325572	221709	170694	0	85909	230484	244056	211506	203088	127224	192426	0	230553	215007	204942	189822	207834	144024	100116	206790	158412	169812	122178	194772	143568	142428	226314	249729	391968	365280	0	299442	352362	218376	217584	173172	278874	185253	191838	256866	223905	205752	0	122901	416838	Phytochemical	0.6315789	1.2631578	0.0
12	C18 H24 O11 N2	445.1453	445.14597	0.03185297	445.1453	209956	225660	239626	169852	136032	126708	152048	235336	246536	303624	232310	149768	329626	84048	213144	162582	166124	297426	300032	289954	337498	421526	250078	184532	98532	39238	108778	73644	199878	170740	168072	185486	242070	179782	441288	178840	228808	179008	132896	202340	199182	159038	1488	0	0	230744	298436	0	201586	192056	241808	211876	166486	0	374840	171842	99904	171082	272616	99914	127740	172624	374790	264492	102484	257230	177364	141248	0	57846	174268	198828	168050	174438	103098	153730	0	186924	172788	136628	154394	153928	109482	77596	163976	127338	140308	108848	165938	133380	112260	190054	239912	280202	261046	0	226464	268176	163484	163128	129732	240768	160376	155158	171244	188542	157468	0	98070	340850	Unclassified	0.6111111	1.3333334	0.11111111
14	C18 H24 O11 N2	445.1453	445.146	0.1979362	445.1454	28842	23882	17898	24338	15182	23424	15010	32306	27626	11250	0	18914	37432	9396	29912	23354	19486	38182	36694	24253	31257	34110	36226	22140	20938	17232	14354	0	25570	24126	26958	28634	37760	19516	24142	29776	34488	26152	18304	25499	10035	13836	0	0	0	18978	21016	0	13176	25210	19428	27882	20338	0	43696	18102	14088	19832	41688	0	0	27427	39320	38682	15296	23922	20194	21466	0	18231	18547	25488	28840	25928	28686	15844	0	21522	17995	0	23241	14659	11142	12601	17388	13316	20512	22678	23310	22544	22790	30702	60492	14626	21966	0	24936	22214	26084	11264	15158	36636	18830	20036	0	35190	14636	0	12844	43094	Unclassified	0.6111111	1.3333334	0.11111111
10	C18 H24 O11 N2	445.1453	445.14594	0.002056991	445.1453	66258	50391	49557	44196	33696	34353	26217	80361	59634	34224	22098	48624	78060	11451	61380	73326	58719	78627	85485	42831	36222	89778	66882	59724	35439	2417	22575	0	52116	59883	50918	58110	82356	51915	57752	55279	82327	44808	52204	45750	49138	36488	0	0	0	36639	50586	0	54501	58617	73251	59977	37410	0	98694	38337	44671	61389	56412	35526	81024	25071	75243	71982	25554	58941	48750	52695	0	5243	15312	58639	57828	56922	36341	42915	0	47400	42888	0	34389	27909	19290	10830	37995	35318	47564	48963	49506	67692	18213	59490	104956	32085	38082	0	55413	58938	22800	34518	32595	75798	42168	63423	0	67521	37095	0	26715	106077	Unclassified	0.6111111	1.3333334	0.11111111
14	C23 H24 O9	445.14932	445.1499	-0.07340594	445.14926	196115	197455	182121	186379	128158	88365	118568	147641	145157	402223	261860	115828	135206	78946	122355	149723	130601	135482	157570	726740	336126	212503	122933	166563	99841	717204	104051	241912	106186	138589	124472	167784	140460	112231	871034	132787	129919	119451	120898	500320	284496	87777	0	0	317	221826	300062	657	154972	139148	194082	169913	105258	749	140358	89683	74898	180081	161060	141270	191265	180105	174848	138254	74566	136447	102316	130404	341574	845712	486410	134684	119984	131761	113158	139878	469	96887	158353	143726	153703	185539	116899	179976	143326	94055	138441	87726	105351	163416	157978	123594	166247	150729	193526	1691	193552	180156	132580	128411	118548	132595	103377	178043	239004	130250	108484	485	110037	150713	Phytochemical	0.39130434	1.0434783	0.0
8	C23 H24 O9	445.14932	445.15002	-0.050223663	445.1493	9357	10994	7419	9628	4952	3252	6813	9424	6917	15916	8112	7471	3785	3906	4685	9204	8524	4351	6235	12516	17070	9764	7008	10323	3508	14748	6503	9674	9425	8469	7830	8842	8359	7336	15892	8678	4697	6391	7468	8118	15924	4420	0	0	0	12534	15541	0	6489	7623	6723	10467	4598	0	4432	5790	4896	8836	7544	8332	11102	6770	4837	5262	0	4387	4330	8293	13072	14596	25566	8223	9300	7654	6708	10413	0	6322	9798	4599	9209	8403	7925	8562	7356	0	8315	3505	5707	9989	0	0	8004	7797	10322	0	8166	9858	5724	6222	7727	7742	5728	10633	0	8717	4092	0	6662	4855	Phytochemical	0.39130434	1.0434783	0.0
22	C23 H24 O9	445.14932	445.1498	-0.1078577	445.14926	142870	130798	126371	145393	170549	122358	40465	75653	197697	385210	183542	48784	228672	104470	80862	65948	41454	208079	177463	314076	299094	189861	84272	83987	79471	305952	38062	163212	69086	52092	67401	66648	78200	50950	428818	57617	90752	68394	44022	191449	143993	60907	5903	0	1018	179756	169426	0	63783	60773	141628	133806	118094	1656	192113	139628	75166	83367	73834	43646	75029	148302	254888	150467	62248	175540	90009	45777	262136	492818	381365	72251	53255	43847	31714	52235	1319	59625	123261	89306	105182	135796	58582	141026	182131	99239	104335	65475	83145	60951	85447	113774	108630	138176	194048	0	127365	137369	144127	154001	149774	71140	49461	83479	137991	73975	135942	0	64303	253671	Phytochemical	0.39130434	1.0434783	0.0
24	C23 H24 O9	445.14932	445.14975	-0.1461411	445.14923	54485	62071	50476	66005	74203	50022	16708	25376	86030	143915	62645	22464	135513	45108	29667	24910	12676	85693	82964	100875	114696	68715	40628	35266	24963	118481	12857	55319	22314	17258	21577	18943	29774	20806	168927	20263	38261	22652	20620	74044	72636	21337	2518	0	0	69500	76139	0	24790	22017	52073	61696	46803	0	92356	63243	33894	32792	24033	16034	27383	54309	102281	70238	30976	86437	33951	14737	101091	188040	171673	21104	18701	13205	13333	16868	0	26747	56254	39863	48574	45615	18963	49886	92817	36391	42468	26098	27955	24454	25135	41983	44002	64381	89124	0	59535	53732	59574	79152	81950	26409	19095	32790	51700	29603	57441	0	22779	121324	Phytochemical	0.39130434	1.0434783	0.0
10	C23 H24 O9	445.14932	445.14996	-0.094172075	445.14926	31192	32291	29224	25701	15273	12378	17512	29327	16506	114400	38371	21045	15920	14036	17987	30413	21600	18920	24723	47595	91174	31234	21277	35159	15058	53261	23899	29306	23590	23412	26868	27267	26407	18671	53647	20958	20667	17792	29883	36866	42514	13611	811	0	365	30988	43123	0	24051	25399	32818	30781	14420	0	20268	12593	13128	32511	21176	34140	36285	22953	22797	16355	10529	19629	14542	32050	50666	105700	149112	29093	23299	25314	22823	25205	806	17269	28080	16705	28716	32741	22781	25813	20816	11805	23349	11921	15105	31210	20952	22466	30567	24503	35085	0	30636	34235	22289	17550	15161	23183	17362	34876	30886	19866	17077	0	22902	20667	Phytochemical	0.39130434	1.0434783	0.0
28	C23 H24 O9	445.14932	445.14978	-0.16389272	445.14923	13308	16302	13128	12234	21020	9855	3793	5030	17259	39586	13100	4003	40312	11486	10526	11595	3689	23028	23298	30332	30500	17903	9497	10448	6301	30128	4123	13550	2343	6379	6108	3777	9289	3834	36553	4041	6770	5858	4262	17951	15393	7699	1532	0	0	15151	17516	0	5826	4479	15024	12704	13677	0	25488	17915	5463	8742	4996	3258	7493	10665	30381	15898	5949	27628	9133	5320	33549	53169	42662	5153	3382	3371	3914	4253	0	4046	17900	12503	12350	10891	5613	11555	27647	11297	14390	8944	7562	4642	9254	10784	12071	13410	26053	1342	15600	14824	16252	22109	23373	8243	4516	5870	9287	7178	12716	0	4610	24889	Phytochemical	0.39130434	1.0434783	0.0
26	C23 H24 O9	445.14932	445.14978	-0.15043657	445.14923	24495	27228	27196	22639	34565	21630	4758	12094	47487	75106	30096	9087	68187	21706	18696	11880	7666	41372	39748	59795	56280	33423	19315	15395	7679	53612	6035	22761	10136	8366	11202	8393	12957	8222	82730	6038	10861	12091	5789	32307	30589	8682	0	0	0	30544	37798	0	9449	8760	24670	24348	22397	0	48202	38052	15996	16435	11827	7990	12519	21359	61799	32312	12353	43457	20998	6630	59549	99144	90628	9409	5514	0	0	7135	0	7783	28084	23220	22342	21235	8281	23324	49036	23149	23304	13760	15135	11289	13660	15932	15921	27382	51321	0	22709	32321	24529	46672	45576	13471	8405	12371	17897	9631	26442	0	11350	62380	Phytochemical	0.39130434	1.0434783	0.0
18	C23 H24 O9	445.14932	445.14984	-0.06167815	445.1493	342128	342234	312755	332264	300324	215810	142590	235938	317295	1037165	516189	144142	413665	207607	204091	222971	145282	370401	406271	790234	743812	410895	231168	244621	174360	802403	138307	423308	200102	186661	194432	222390	251188	209477	1081360	194276	254361	173516	144809	1040992	389946	153891	9215	1271	1457	458536	405489	1729	211208	192511	338922	345238	234926	1653	358300	265967	174011	251123	212325	135351	214795	338847	445333	286892	144670	334454	209190	166917	625811	1089555	967112	224670	175442	181853	140933	227204	794	165634	288238	247123	240610	392722	167765	362046	337161	206547	240819	158270	179957	175515	262486	279164	274719	290739	457912	2997	333862	310652	294520	270833	252298	222092	151045	239871	259903	193356	231722	1719	181287	412788	Phytochemical	0.39130434	1.0434783	0.0
8	C22 H24 O8 N2	445.16055	445.1612	-0.15237576	445.16046	38330	39599	32694	34006	20361	15315	16704	29732	23079	90663	50211	16369	34756	12889	17345	27838	23317	25385	31365	89881	100409	70352	24705	34137	16123	36150	14977	28813	25005	21002	23339	29404	28178	22418	111293	19503	30042	17041	29600	83203	81735	17948	0	0	0	59252	68137	0	32114	25394	34761	37334	19213	0	28919	19489	13824	29694	16298	29286	22149	47073	31885	23958	12991	28800	18539	34059	58148	70215	75944	20861	20459	18439	15410	19450	0	14153	28689	38879	19387	30316	17256	44376	21278	11861	28577	17765	18045	39314	28082	41831	44130	54479	65478	0	35628	35620	19654	22060	18515	34210	15955	39196	23464	29202	15858	0	17998	29488	Phytochemical	0.36363637	1.0909091	0.09090909
22	C25 H25 O6 Na1	445.16217	445.16278	0.17526476	445.16223	50959	31276	32036	32270	22635	10970	8686	20035	26602	47650	76803	8978	27339	21723	21065	27397	27039	20156	37165	41954	60003	51134	22368	24303	32624	130303	5976	56729	22339	18780	20882	0	20082	6781	74257	15554	21984	15461	16930	66673	60526	15351	0	0	0	39867	44652	0	15836	21325	35421	34715	31968	0	22691	20523	16137	25982	20575	11964	27798	38295	25948	23198	15751	15068	29030	34162	116965	116592	168197	6839	12760	8165	19140	3036	0	17568	27218	37674	22368	37560	21773	40019	32883	23705	30704	13374	14556	35442	39838	44071	44882	43583	50093	0	38034	40579	27095	19267	21698	28674	18706	27189	26709	27107	11014	0	22360	29083	Phytochemical	0.24	1.0	0.0
26	C27 H24 O6	445.16455	445.1648	-0.03964264	445.16455	0	0	2188	0	0	0	0	0	0	3221	4013	0	0	0	0	0	0	0	0	0	0	2725	0	0	0	15561	0	4443	0	0	0	0	0	0	2349	0	0	0	0	3379	5320	0	0	0	0	0	0	0	0	0	2437	4278	0	0	0	0	0	0	0	0	0	0	0	0	0	4231	0	0	22584	10676	19048	0	0	0	0	0	0	0	0	0	0	3557	0	4982	0	0	0	0	0	1780	0	0	0	0	0	0	0	0	2438	3281	0	0	0	0	0	1634	0	0	0	0	Phytochemical	0.22222222	0.8888889	0.0
24	C27 H24 O6	445.16455	445.16504	-0.12964079	445.16452	6546	3632	6035	4136	4204	1930	0	1873	6852	7232	13363	1811	2383	3447	1981	3223	2469	2649	4351	10785	5072	4805	2805	0	1953	40787	0	12040	0	0	2330	1502	2008	0	10876	1491	2317	1456	2291	6279	16696	1835	0	0	0	6277	8890	0	1572	0	4886	3313	4048	0	2778	4470	2968	0	2151	2784	2490	5956	5042	3368	2460	3508	4346	1731	41527	23386	41656	0	0	0	1800	1054	0	2747	4483	4960	3579	6965	2473	10639	7115	3753	6818	2444	3060	5041	2489	0	2114	6211	5355	0	2603	4752	5862	3415	3786	1336	1147	4662	2732	2551	5045	0	2447	3068	Phytochemical	0.22222222	0.8888889	0.0
8	C19 H28 O10 N2	445.18167	445.18234	-0.13380368	445.1816	24026	28106	25058	25590	15996	12292	19044	33198	18740	20810	18383	19838	21376	5398	25284	29106	23416	27724	29042	19184	26684	36260	29812	40026	13518	3001	19206	7166	34512	25750	28362	33624	39488	29714	31940	32168	39194	20692	22836	12806	13166	14212	0	0	0	21444	18583	0	38608	31022	27502	19238	16642	0	24240	10698	14044	36400	23502	17568	38734	10728	31360	22828	8608	20324	15946	27412	0	5589	5531	26522	30476	25946	16800	23596	0	18024	31979	0	16584	10542	15154	9918	11912	10708	20030	18446	21740	37614	0	34208	54174	8808	0	0	33880	23298	10974	11568	17128	39598	16358	31970	0	30678	11446	0	17836	28918	Lipid	0.5263158	1.4736842	0.10526316
14	C24 H28 O8	445.1857	445.18628	-0.10460184	445.18564	184465	195868	174171	172278	100415	83005	148838	181673	128870	214078	166802	132164	107975	74189	128784	203652	177310	103121	138626	266039	239319	193510	142524	183200	119029	288578	142409	150040	134356	161453	146712	180453	159867	114681	235086	174929	140813	134701	185695	183728	236839	91719	3038	855	549	155416	189336	635	173612	170813	182631	177923	92922	856	118764	95600	83264	214026	171560	187318	199338	126619	122518	122167	74180	110773	88591	178600	262743	320663	397554	130251	131324	168122	142730	164811	480	119797	197059	117670	172946	127249	148361	147560	126876	96282	180292	84101	108483	261374	145794	140594	191914	122984	149025	1518	186644	165169	101422	118278	118632	159953	124478	213390	140243	147398	109281	924	151266	114542	Phytochemical	0.33333334	1.1666666	0.0
10	C24 H28 O8	445.1857	445.18628	-0.15357214	445.18564	20296	17172	13591	20971	9029	6286	14890	24114	10872	22417	10001	14541	11053	7230	14010	27053	17044	8816	12939	23688	22999	20202	15169	22292	12377	26677	18391	13702	18531	14837	16638	22452	17443	10633	19251	19761	15899	12259	25679	22664	21574	9712	962	0	367	17070	17991	958	21514	23590	16694	18306	8466	322	9391	10959	8991	26767	16377	19264	22512	12381	6801	8534	7035	9385	8754	26750	20339	22738	29202	14799	16575	23412	22596	19336	0	14252	24379	9662	17820	16324	18402	13193	13831	6869	21901	6180	9341	24269	21550	14593	21089	12540	19017	768	15924	17610	8444	10908	10462	15521	12796	21625	0	15059	11528	0	19172	5740	Phytochemical	0.33333334	1.1666666	0.0
16	C24 H28 O8	445.1857	445.18625	-0.09961688	445.18564	365626	424980	369350	374937	278198	197822	252151	345248	294435	555974	399939	238658	313076	165830	276161	370191	302776	294198	365770	672911	648333	334735	318105	402664	236169	823471	237604	329748	288529	310606	330637	362727	347798	245660	584082	317667	314438	262151	328324	864838	465446	196692	7322	2196	1267	316681	345823	1774	353828	330644	389147	372806	234805	1638	292348	247437	184136	378321	275795	304832	387794	275062	324777	260013	151691	275017	215407	329005	663699	935083	1035519	312667	305511	338337	300065	332771	741	246695	429184	255441	330687	269778	302278	334708	314898	189054	359258	194973	227420	482961	306114	312719	503626	233556	302484	2832	390197	376593	246332	275498	271596	674380	226897	336098	200316	370666	253276	1692	298613	313463	Phytochemical	0.33333334	1.1666666	0.0
18	C24 H28 O8	445.1857	445.18622	-0.06618102	445.18567	670691	682602	637687	593503	541341	367010	364076	577685	507719	1143229	775690	364333	625255	342643	469870	609238	381766	547596	668786	1321389	1216710	592006	529298	658232	400541	1573759	366006	693203	500758	507200	543784	561009	569552	493732	1228762	529869	579308	421413	476956	817276	770598	334094	15075	2368	1824	606784	521749	2882	568984	483411	673101	659443	439585	2689	578427	453920	316314	607829	440297	380083	526045	577047	666753	492507	270731	548930	386949	484380	1284752	1880336	2072595	490259	421420	494317	415323	586469	1193	395588	660267	372056	559034	464339	413033	610923	573081	345328	598147	346607	374142	541298	528092	580776	652042	384912	543939	4347	650861	601997	483892	468232	451796	518781	344805	609740	336349	481314	403012	1675	454400	607066	Phytochemical	0.33333334	1.1666666	0.0
20	C24 H28 O8	445.1857	445.18622	-0.06449637	445.18567	717541	736981	699887	642431	648851	458074	322089	585751	702281	1589053	851695	342757	780573	432033	517401	591418	339699	698340	810950	1596643	1559957	690398	530613	634247	430779	1823423	320010	766787	529025	479828	501472	509908	592115	494449	1664310	496506	620453	420310	383636	1005085	771626	420187	17344	4338	2136	704004	593344	3780	550336	483771	704658	725779	481507	3571	690537	533276	359787	590334	507580	329282	573202	629975	778999	583484	303101	648807	423025	390636	1449274	2430613	2203858	534636	487006	494391	360994	496240	1522	409873	644251	400873	529668	415159	432622	728536	628210	396631	571622	355196	410383	469248	616478	652810	706299	469434	587698	6640	718391	706641	554233	531164	526316	583606	375527	641013	452070	532168	494037	5410	431929	813041	Phytochemical	0.33333334	1.1666666	0.0
22	C24 H28 O8	445.1857	445.1862	-0.078449026	445.18567	445559	461159	403113	439776	427574	332272	176007	351266	489355	1063437	591214	195327	521637	293503	298679	326575	194585	559241	470318	1025615	994936	469525	330596	404633	323746	1130257	165972	517522	314419	273992	295216	312418	356333	296952	1193018	281256	411160	267453	221762	667970	468513	219943	15268	0	2180	474036	389821	3680	331239	279854	442735	460271	339305	2872	503109	398832	240001	356078	298403	202875	331427	443458	535528	400032	183710	438345	281695	220449	932256	1741858	1320926	330854	275132	253259	165021	294173	18915	254555	408993	238212	336642	298531	241346	415368	474658	270321	355904	240430	258711	271068	392046	446282	456930	298517	458526	4863	434645	411987	356680	396356	348634	315451	231292	364246	300266	318348	340686	3804	256174	608113	Phytochemical	0.33333334	1.1666666	0.0
24	C24 H28 O8	445.1857	445.18613	-0.106180124	445.18564	181764	169983	168091	173259	177503	133741	56059	119815	190175	406061	207851	74122	282690	123235	118049	123158	74798	221135	245068	389965	342555	167292	131846	147263	101904	410632	52769	198436	103224	95028	98042	102901	125345	109798	452379	115907	165151	93043	81514	255035	177194	83715	8071	0	0	183927	146417	2950	119687	97260	176381	169619	131784	0	225232	171353	89287	133616	102125	60181	131386	165654	258285	172285	68121	211669	114657	82627	358813	626072	556175	118772	97699	93657	68894	92503	0	96844	160789	89042	133975	115584	79043	166965	196030	110018	149378	85482	104229	102158	146932	147974	183958	124653	180644	3673	168813	163354	131740	179391	174508	127557	73815	135440	117401	115876	138996	3014	90691	268281	Phytochemical	0.33333334	1.1666666	0.0
2	C18 H28 O9 N4	445.1929	445.19363	-0.09535913	445.19287	5009	4615	3912	4683	2300	0	1961	3660	2128	1500	7652	3126	2146	1589	2715	438	4582	3216	2677	0	1101	3894	2945	2665	1333	0	0	45117	4629	2434	5610	3113	6152	4364	1647	3136	3984	2033	5413	0	0	5257	0	0	0	694	681	0	3169	1732	6676	5816	2220	0	3767	688	983	5302	845	752	1095	0	3088	2106	0	4222	3989	5312	0	0	0	2972	3248	2504	0	2751	0	1903	3054	46273	2675	0	0	0	1190	1112	3251	3461	3465	7469	82397	37793	9299	11696	0	0	4556	3322	1347	1342	2050	2656	2124	875	0	4481	1598	0	2494	4570	Peptide	0.5	1.5555556	0.22222222
8	C18 H28 O9 N4	445.1929	445.19366	0.045133907	445.19293	2219	2397	3060	2006	1092	964	1951	3027	0	0	0	1627	1005	0	2800	4424	2943	1289	1534	0	1182	2009	2751	2471	2443	0	1341	5824	2229	1151	2157	2343	2919	1434	0	2339	2681	1761	2704	0	0	1381	0	0	0	0	0	0	0	1537	2244	2704	1803	0	0	0	922	3455	0	0	0	0	838	1210	0	1682	1119	2557	0	0	0	1693	2712	1431	2007	1529	0	2082	3566	9316	2384	0	0	0	0	0	2575	1373	1825	4257	26841	9601	6435	0	0	0	2432	2538	0	0	0	2184	1877	0	0	3197	0	0	1959	1669	Peptide	0.5	1.5555556	0.22222222
4	C18 H28 O9 N4	445.1929	445.19373	-0.070806496	445.19287	2027	2574	2556	3200	892	1313	882	1943	1443	0	2602	1652	1704	699	1677	1790	2458	1451	2084	0	0	2305	2100	2125	1028	0	0	12936	1921	1549	1572	1612	1696	1956	1030	1820	1580	1187	4262	0	0	938	0	0	0	0	0	0	2525	769	2218	1799	1118	0	1827	693	790	2108	891	0	3077	0	882	1095	0	2061	1243	3298	0	0	0	1613	1530	1427	1504	1586	0	1317	2004	20929	1442	0	0	0	1032	601	2457	1799	1058	4487	68830	22910	4477	5144	1315	0	2017	2324	760	581	1029	2007	734	0	0	3070	1086	0	1100	2539	Peptide	0.5	1.5555556	0.22222222
6	C18 H28 O9 N4	445.1929	445.19357	0.033609442	445.19293	3024	3871	4083	2970	1514	1227	2413	4766	1728	1368	3295	2130	2965	2007	3041	3904	2805	2560	3059	0	0	4164	2423	4945	2312	0	1040	9943	2416	1788	2515	4222	3455	2357	1644	3431	4124	3328	5516	0	0	1842	0	0	0	0	0	0	3281	2096	3692	3705	1211	0	2758	612	911	4006	0	0	4846	0	1493	0	793	2569	1669	3517	0	0	0	3411	3135	1689	1676	2459	0	2183	2730	14493	2119	0	760	0	1260	1382	2877	2065	2057	6627	58647	25620	8142	4174	1550	0	3233	3405	777	0	0	3653	1805	0	0	4295	666	0	1571	1855	Peptide	0.5	1.5555556	0.22222222
6	C23 H28 O7 N2	445.19693	445.19763	-0.12958835	445.19687	14060	14728	12919	16104	7589	7942	6431	15368	7690	29530	9894	7089	10423	3766	9859	20052	10517	8106	11037	32708	32696	23622	10490	19841	11212	14776	9360	10906	11986	11560	13482	11540	18431	11122	29492	12837	18569	9209	14680	24062	19658	7220	0	0	0	18791	17013	0	16027	12000	16354	14675	6503	0	9899	5137	4058	18120	3300	7252	16375	13656	6047	7767	3244	9704	7705	15498	14158	26933	23719	12758	13606	11590	7802	10119	0	6362	10775	12779	8510	7106	5987	11708	5685	6264	8948	7124	9562	19319	17254	19143	27832	15821	25959	0	16293	15915	4531	4808	4215	15988	8530	17056	10816	15780	4561	0	10000	7423	Phytochemical	0.3043478	1.2173913	0.08695652
10	C23 H28 O7 N2	445.19693	445.19754	-0.1603841	445.19687	44448	37536	34059	33355	17577	19081	16388	39513	16667	68829	35418	16693	21741	14541	20460	33125	22985	20238	23129	84468	84520	51095	24403	40874	28572	41580	18409	36471	33497	30517	27142	33753	39880	32324	83087	27253	39872	21163	30303	69478	50478	15995	0	0	0	49700	44311	0	35195	27459	39460	39659	16214	0	14767	11464	13185	38156	11978	19766	35448	34239	12849	16498	9910	20139	19058	34277	37701	76481	64444	30258	24402	23734	23429	27748	0	20601	22940	31455	24917	20402	17087	44345	11170	11891	29634	19394	18739	41931	46412	38740	54866	40841	68829	0	33229	39177	9305	12715	13624	39358	19169	47150	20078	33087	10724	0	24804	14609	Phytochemical	0.3043478	1.2173913	0.08695652
8	C23 H28 O7 N2	445.19693	445.19757	-0.15258525	445.19687	27219	28131	24358	28140	10023	11317	14428	29808	12499	54997	25602	12133	14913	7760	17022	29428	19256	14342	20837	64829	61670	40441	15366	34728	18699	30361	13567	31024	24011	19888	21932	21368	32130	19494	67673	21058	29368	14952	21254	44636	34421	13194	0	0	0	38882	35558	0	29903	21126	24744	32268	14357	0	15176	7772	7787	24900	4495	9615	24077	27825	12047	13837	6301	15653	15252	21192	23739	54932	45683	21212	20812	13637	14464	18994	0	12685	18694	24141	13747	11553	10918	29448	7216	6619	19782	12714	12047	34301	31705	42795	46994	31026	51742	0	27922	24890	10439	8326	8596	28616	11703	31035	8076	27742	7801	0	17236	14697	Phytochemical	0.3043478	1.2173913	0.08695652
26	C28 H28 O5	445.20096	445.20126	-0.13998343	445.2009	4504	4020	3925	0	3117	4217	0	0	3643	3065	7830	0	0	0	0	0	0	0	0	0	0	3253	0	0	0	31218	0	9657	0	0	0	0	2560	0	4208	0	2815	3005	2831	5586	9618	0	0	0	0	0	0	0	0	0	3638	6110	3112	0	0	0	3860	2223	3436	0	0	3430	2497	2468	0	5571	3300	4673	32396	17218	26970	0	2948	0	0	2541	0	0	5338	0	3826	4649	3205	7609	7968	0	4742	3293	3465	3793	2634	2595	4713	4742	0	0	3701	0	2952	6518	9892	0	0	0	0	2219	0	0	2892	0	Phytochemical	0.17857143	1.0	0.0
24	C28 H28 O5	445.20096	445.2014	-0.15020528	445.2009	18239	11878	8261	17054	12291	4977	5980	6751	4987	23097	19762	5198	9745	11152	9833	6317	13437	5530	7962	17546	18439	9043	4870	16554	14618	53999	3441	25690	6366	6418	13801	12386	16154	9291	22391	4352	14141	9501	11181	18052	22148	12107	0	0	0	10371	20089	0	13546	4684	17619	18308	6579	0	11027	3821	5555	4028	10072	11717	14151	14349	13595	6712	4151	9602	11452	13516	42830	38301	47054	7349	5292	3244	4382	3496	0	10227	16666	4912	17505	12320	9695	24592	10537	5404	10650	8467	12050	17991	12080	20689	24233	12996	9919	0	15659	14109	10569	9357	8987	17000	9511	17089	9646	14248	11684	0	12515	8343	Phytochemical	0.17857143	1.0	0.0
20	C21 H32 O10	445.20682	445.2072	-0.205884	445.20673	196162	239620	180278	136902	103004	123208	121348	127152	145718	469506	173894	77758	151384	56820	188282	120822	85711	151024	124280	315268	432644	302844	201608	142060	134748	611224	68450	169888	219804	170888	143738	142886	241852	190884	333644	258676	267440	105366	10682	145916	201706	106850	0	4410	0	157450	188268	0	125330	182532	156924	137220	134178	0	256538	119302	83954	243088	201678	95428	166870	88814	162366	157958	55084	86924	121952	85944	275862	294304	411608	142192	169374	172900	72286	140646	0	151150	125790	64658	107528	90598	141606	93768	110390	69988	78354	151790	123154	107377	257312	235678	253188	125506	116538	0	111196	207224	102588	97746	99350	135858	65168	207910	118830	174864	95604	0	94326	169944	Lipid	0.47619048	1.5238096	0.0
28	C30 H29 O2 Na1	445.2138	445.2142	-0.18916999	445.2137	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38533	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1572	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	786	0	0	0	3025	0	0	0	0	0	0	2168	0	0	0	0	0	0	0	0	Phytochemical	0.06666667	0.96666664	0.0
26	C25 H32 O7	445.22208	445.2226	-0.11850643	445.22202	159314	144597	147432	144024	154821	101170	58705	152335	156723	232828	174157	96373	219750	107968	113068	149475	88949	185311	221410	333936	290367	154511	118986	168249	129753	353964	70599	174430	146293	150906	125744	130962	153810	117106	313201	149562	180827	92656	90551	195482	168198	99474	5698	0	0	144090	110798	0	143056	122304	155624	147294	127149	0	190607	167722	75843	165365	115253	67372	164503	132332	176479	140386	59767	164170	109942	102654	357837	494224	468756	120837	108698	122857	87151	117034	0	101741	155313	90903	118627	84851	100849	144440	155489	92429	143979	92992	95567	116464	136049	147127	196301	95858	154661	0	149006	167984	98025	169439	169779	166224	92583	175038	88370	105342	107700	0	98800	165629	Phytochemical	0.28	1.28	0.0
24	C25 H32 O7	445.22208	445.22253	-0.094850846	445.22205	555735	539757	522154	542427	518249	375117	239975	478313	522551	1028408	667399	269606	653417	326062	399744	463200	307358	607887	760269	1231746	1137228	548418	417747	526051	357916	1318276	222402	656953	441726	421396	404124	431537	532560	397958	1321547	442546	637129	321398	322817	721558	507835	282717	16229	2972	0	509426	364364	3258	479121	398796	529007	533314	405533	5393	627283	481640	259510	524144	421740	234811	518248	462757	620055	459476	207743	555311	359567	335192	1134715	1811715	1579873	456608	384449	393345	267303	406428	0	342510	508107	284528	427068	306127	332684	490107	524000	324109	464386	297757	365883	355221	537884	573569	651765	367736	540679	4802	551182	548286	345992	457338	462480	521288	274107	553780	308758	430590	377056	3781	360324	641355	Phytochemical	0.28	1.28	0.0
12	C25 H32 O7	445.22208	445.22266	-0.18282591	445.222	21943	19969	17695	20264	5193	3148	18692	18799	6828	10074	12601	10803	3972	3912	12533	25743	27343	5798	8059	13182	9359	16613	13322	22247	9658	14180	22096	0	17558	24465	18214	18092	13717	9194	15632	15257	10597	15057	24459	12357	18326	7930	0	0	0	12830	17740	0	18627	23647	21546	19719	8099	288	9169	8711	7602	16510	8443	20548	0	6639	7203	6707	5552	6379	6830	26803	0	14217	17682	10262	17266	15244	28540	21031	301	12248	23332	0	17321	10127	15987	8781	11934	8496	24725	4921	6218	29990	13451	16445	16584	8769	13300	0	16899	19010	9277	10782	11873	24755	9707	21975	0	13948	7584	0	17538	6620	Phytochemical	0.28	1.28	0.0
8	C19 H32 O8 N4	445.22928	445.2301	0.18734467	445.22937	3037	1465	2648	1437	0	2520	0	0	0	1273	1777	0	927	0	0	1474	0	0	0	0	0	0	1214	0	1653	0	0	16716	1446	805	963	1168	1450	961	1072	1973	1840	0	0	0	0	0	0	0	0	0	0	0	1638	819	2908	2441	0	0	0	0	0	2430	0	0	0	0	928	0	0	0	0	1272	0	0	0	1122	0	0	956	0	0	0	1154	37753	0	0	0	0	776	0	1090	0	0	1804	154956	62920	2199	7969	2107	0	0	1652	0	0	0	2337	0	0	0	1804	0	0	814	877	Peptide	0.42105263	1.6842105	0.21052632
2	C19 H32 O8 N4	445.22928	445.23007	-0.04784496	445.22928	3850	3856	3962	2648	1705	0	2347	3029	1580	810	2452	2237	2623	1068	3743	763	2316	2410	1618	0	0	2557	1568	2134	1241	0	0	29535	3555	1661	3200	2251	5540	2531	745	2369	4556	1399	3989	0	0	0	0	0	0	457	268	0	3532	1337	3690	3490	1350	0	2501	499	284	1984	331	0	681	0	1785	1324	0	4125	1145	3314	0	212	0	2851	2462	2547	381	1849	0	2633	1603	282948	1228	0	0	0	903	806	2196	1363	1540	5186	66358	34194	4776	20076	313	0	4490	4158	865	1054	607	2319	2477	0	0	4501	1228	0	1362	2081	Peptide	0.42105263	1.6842105	0.21052632
4	C19 H32 O8 N4	445.22928	445.23013	-0.022806687	445.22928	5169	5004	4729	4467	431	6178	411	1529	707	0	4075	681	1756	0	1314	1436	1646	1319	1128	0	0	1115	728	1403	1058	0	0	31845	0	677	1808	1391	1584	1340	0	0	1989	785	1259	0	0	532	0	0	0	0	0	0	1825	1091	5247	5205	643	0	715	322	0	1748	1066	0	1333	0	638	568	0	912	725	0	0	0	0	813	851	833	0	603	0	827	978	328447	702	0	0	0	470	637	1368	1190	1043	1784	350508	119540	1485	25131	4016	0	4216	5595	0	596	428	1695	568	0	7763	970	601	0	765	1470	Peptide	0.42105263	1.6842105	0.21052632
10	C19 H32 O8 N4	445.22928	445.22968	0.14916337	445.22937	1314	0	0	0	0	1227	0	0	0	0	0	811	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6750	0	0	1071	0	0	0	1775	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1172	0	0	0	0	0	2139	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5251	0	0	0	0	0	0	1002	0	0	0	45622	14412	0	0	0	0	0	0	0	0	0	0	0	0	15875	0	0	0	1144	0	Peptide	0.42105263	1.6842105	0.21052632
16	C24 H32 O6 N2	445.2333	445.2338	-0.2178351	445.23322	9018	10960	6839	5176	5955	6625	9091	9676	1736	7557	5646	7221	2428	3413	6386	15478	14180	3309	6509	19946	9500	10242	6704	18760	9260	8604	7903	7141	9584	13359	13382	16582	12703	8809	10852	14544	12088	7241	14252	13370	10531	5682	0	0	0	8722	8700	0	19100	8934	7866	12723	6976	0	0	7301	2639	13426	5814	9262	9620	6232	0	1786	2123	5844	7320	12416	6451	12620	13055	11739	8329	10321	13873	9538	0	5540	10933	5788	5680	4432	5938	12363	2976	2393	11880	9299	4336	0	19685	12720	0	6995	15406	0	12215	5997	2520	3670	4861	24892	5631	11363	3424	0	1706	0	9432	1638	Lipid	0.25	1.3333334	0.083333336
12	C24 H32 O6 N2	445.2333	445.2339	-0.15743908	445.23325	5708	7608	9184	4470	2999	3045	5112	11512	1804	10290	7147	4668	1563	2428	5649	11551	7380	2506	5860	18966	14123	12017	7803	9191	6952	7640	6094	0	14552	7371	11413	10251	14334	9515	16228	10580	11467	6726	6443	12564	4990	5595	0	0	0	10052	9670	0	14015	5592	8341	6937	4472	0	0	0	3047	12691	0	0	0	7458	0	1389	1690	2044	5696	9588	0	13287	12923	10990	9161	6928	6593	11031	0	5880	6260	0	5535	1805	942	10544	1144	2241	8292	4607	4128	18460	16865	5593	21445	5341	10808	0	9663	6284	1345	1553	2755	10340	5222	7257	0	11814	1588	0	6478	1641	Lipid	0.25	1.3333334	0.083333336
8	C24 H32 O6 N2	445.2333	445.23398	-0.14349319	445.23325	6403	7517	5478	6912	1362	2505	6358	12362	1639	11081	5587	4689	980	2407	6782	12379	6514	2286	4041	13063	10535	7650	5536	13440	6570	6015	4153	6652	7571	9304	7510	9354	9594	8822	11660	10400	9215	4746	9208	11077	4121	4103	0	0	0	8740	4076	0	11955	8914	6390	8599	2150	0	1721	1603	2019	12597	0	1001	6157	3160	1621	2220	2215	2130	4696	11673	3189	9106	6680	7126	8127	8368	8691	5207	0	5061	6466	0	4129	1048	1812	8981	1168	0	5407	4834	4315	15354	0	0	21046	8538	10244	0	9350	7093	1419	997	2207	9087	3790	9423	0	8425	0	0	7310	948	Lipid	0.25	1.3333334	0.083333336
10	C24 H32 O6 N2	445.2333	445.23395	-0.056612764	445.23328	8163	8053	4609	6711	2463	2805	5335	12159	2307	12063	3671	4801	1200	1439	6056	12018	6131	3777	6293	17272	14733	6694	4862	15554	10141	8210	5583	4209	8466	8320	9761	13841	11903	9717	13395	11342	14599	7245	7052	15521	5784	2956	0	0	0	6554	5707	0	11751	8910	10684	6724	4289	0	2848	1574	2272	14718	0	1367	9500	6584	1750	2975	2135	1935	5017	10779	0	12504	11294	7739	6674	7957	11283	4169	0	6243	7383	8918	5516	929	738	8427	0	2714	4696	4162	4539	10831	16617	5236	20245	9470	14243	0	7631	9842	1766	1205	810	8222	5041	10871	0	12517	1186	0	7532	0	Lipid	0.25	1.3333334	0.083333336
14	C24 H32 O6 N2	445.2333	445.23386	-0.17633882	445.23325	7983	9292	8188	9430	2676	2024	7320	9079	0	9242	9309	7687	1769	2544	5273	12471	10208	3636	4921	18939	14629	8472	6248	13215	7822	8777	4881	7629	15384	9197	12785	14180	12681	9833	11861	12960	13714	6830	12839	17039	8366	5014	0	0	0	7678	7784	0	13273	8442	8278	5264	2489	0	2012	1952	3066	15192	0	0	20299	5145	2708	2179	3288	4184	4284	13634	0	14683	6634	8289	8170	8514	7299	9093	0	5119	6548	0	5780	2252	2874	10609	2151	2540	8921	5987	5285	16501	23829	11122	21300	4898	10523	0	5436	9133	1289	1989	1310	18556	5519	10448	0	9519	1672	0	8636	2292	Lipid	0.25	1.3333334	0.083333336
24	C24 H32 O6 N2	445.2333	445.2337	-0.19885945	445.23322	4973	2943	4584	5822	1512	1482	1273	4131	1012	1699	2301	2846	0	993	3863	4718	1755	0	2907	2000	1388	26446	4579	10163	12044	2515	0	1975	4249	3988	2721	3169	3570	3903	0	3650	5723	3695	3009	3946	3980	1244	0	0	0	2098	1643	0	3005	2185	3849	2817	0	0	0	0	1224	6694	1862	1510	4215	1744	0	1246	0	0	0	4870	1824	3833	2008	4082	3540	2907	3063	2003	0	2264	5810	1669	1677	2099	2189	2735	1037	0	5184	1334	1678	7935	9333	10913	151633	1613	0	0	3668	1963	1223	1169	0	3894	2120	3757	1248	15940	1942	0	6763	0	Lipid	0.25	1.3333334	0.083333336
18	C24 H32 O6 N2	445.2333	445.23376	-0.26991412	445.2332	12856	11242	8409	13283	4709	4676	10900	17193	3029	11719	8227	9704	0	5636	7020	19329	13142	5415	2760	13872	15059	10905	9397	17106	11345	10592	7632	9605	11793	12623	10381	18238	19301	14899	9937	14853	18357	7795	19843	13998	17612	5863	0	0	0	12414	6809	0	18770	11256	17080	9459	7971	0	3848	3057	3796	13735	7843	8534	15390	6833	3044	2445	4405	4706	5260	19898	6090	11876	14004	10490	9431	12581	13443	12144	0	8089	9400	9999	10368	5875	10352	10505	2231	3514	11655	8525	7856	22613	22966	23311	22371	8736	14808	0	11639	12373	2116	5057	4689	21134	7843	16142	5552	16864	4084	0	13262	4692	Lipid	0.25	1.3333334	0.083333336
24	C29 H32 O4	445.23734	445.23776	-0.19458702	445.23724	6509	7630	6725	6240	5429	3310	5526	8755	3480	2875	8788	6529	4234	5792	9050	10692	13191	3811	5899	5210	6693	3093	6124	10123	9310	21136	7534	10255	7017	7509	8012	9375	7312	3325	5852	8961	8927	9138	14260	6615	12092	6211	0	0	0	5394	6087	0	9157	11507	4822	9099	6225	0	3390	4795	3020	9329	6798	7171	9328	4970	2665	4592	3716	4487	8032	15398	16623	12616	20053	4790	7610	7376	9356	8476	0	7339	15080	4008	9703	5628	6340	5732	7517	6850	14168	5532	5705	11124	7851	7540	12335	6260	5062	0	6601	6089	4592	6627	9641	10925	5738	9171	3557	8830	7679	0	9839	1853	Phytochemical	0.13793103	1.1034483	0.0
26	C29 H32 O4	445.23734	445.2377	-0.19687894	445.23724	6375	7683	6911	5247	4599	0	3393	12397	4696	2516	8908	5540	4426	2143	0	9220	0	0	7560	5325	0	4430	0	8287	9344	24706	3127	8763	5910	10847	7640	8002	6972	7410	2673	7470	7421	5584	8593	7264	9633	0	0	0	0	0	0	0	5226	12966	5362	5142	3076	0	0	0	5819	8482	3342	6374	8942	3197	3129	3980	0	5774	8781	9153	19992	7832	16745	4602	4858	9694	0	8457	0	6499	10401	0	5094	5295	4582	6035	6249	0	14135	5071	2482	8898	2680	5635	10008	4862	0	0	6964	6519	4760	7503	11280	11673	4097	8046	0	6906	5509	0	7875	2297	Phytochemical	0.13793103	1.1034483	0.0
12	C23 H32 O5 N4	445.24454	445.24457	-0.6633672	445.24426	0	0	0	0	0	0	0	1333	0	0	0	0	0	0	928	0	0	0	0	0	0	0	0	0	1144	0	0	0	0	1006	1072	0	0	1351	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1671	0	0	0	0	0	0	3257	0	0	0	0	0	0	0	0	884	0	0	0	0	0	0	1880	1657	0	0	966	0	0	0	0	0	0	0	0	0	0	0	0	24848	2225	0	0	0	0	0	0	0	0	0	0	0	0	0	1421	848	0	0	0	Peptide	0.2173913	1.3913044	0.17391305
10	C23 H32 O5 N4	445.24454	445.2448	-0.19766653	445.24445	0	0	0	1062	0	0	0	0	0	0	0	0	0	0	0	1728	0	0	0	0	0	0	0	0	0	0	0	5557	0	0	0	0	1483	1365	0	1176	0	0	0	0	0	0	0	0	0	0	0	0	0	1543	0	1710	0	0	0	0	0	1154	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1934	0	857	0	0	0	21493	0	0	0	0	0	0	0	0	0	1566	50701	0	2629	1235	0	0	0	0	0	0	0	0	958	0	0	1369	0	0	0	0	Peptide	0.2173913	1.3913044	0.17391305
16	C26 H36 O6	445.25845	445.25897	-0.22027485	445.25836	10616	16580	13750	16448	8658	5756	20925	18042	9616	7661	5851	13476	7846	10209	12105	21259	27472	6266	12080	8717	9460	6236	9317	11072	13964	9012	20931	8013	10929	18721	12927	16031	14839	8168	9163	15894	10298	15626	36747	3681	8087	7304	343	0	0	6897	10249	0	13987	18998	11827	13758	12304	0	12064	16584	11253	18210	9132	18402	14005	2810	8669	7185	7707	6591	6943	36238	5020	12511	13240	8742	6758	18501	26737	15724	0	10389	24984	7682	17338	7394	16772	5989	21055	12302	27077	5104	8425	39375	14769	11263	0	3949	6642	0	15036	11715	8424	24444	24939	18835	9104	13564	0	14572	14252	0	18391	4526	Lipid	0.23076923	1.3846154	0.0
6	C20 H36 O7 N4	445.2657	445.26633	0.03921743	445.2657	33019	26945	27128	23687	1422	59402	0	809	0	1628	21897	0	1217	0	876	3040	0	2445	0	0	0	1442	0	1251	934	0	0	365703	2099	731	1774	0	7929	728	0	0	3729	0	0	0	0	6304	0	0	0	0	0	0	0	599	28922	24191	1202	0	0	0	0	1496	0	0	0	0	0	0	753	1138	0	0	0	0	0	0	754	0	0	0	0	642	0	1320046	0	0	0	0	0	0	881	1599	1043	0	2361358	1230307	0	131060	17832	0	30200	26808	437	0	555	1402	1005	0	0	1169	0	0	0	1479	Peptide	0.35	1.8	0.2
10	C20 H36 O7 N4	445.2657	445.26617	-0.0297555	445.26566	49699	49850	42403	43219	0	22904	0	0	0	30761	60755	0	2049	0	0	0	0	0	0	0	0	3191	0	0	970	0	0	241300	1079	0	0	1373	3059	0	3397	0	0	0	0	13864	5182	2501	1299	0	0	7538	13308	0	0	0	42401	41823	731	443	0	0	1027	0	172725	0	0	35559	0	7158	0	2444	0	0	0	0	0	0	0	0	0	0	0	0	0	800506	0	0	956	0	954	0	0	0	0	0	4578651	2204179	0	112233	20064	0	46171	40113	0	0	0	0	0	6673	886044	0	0	0	0	0	Peptide	0.35	1.8	0.2
4	C20 H36 O7 N4	445.2657	445.26666	0.07466297	445.26572	1212	1907	2443	1868	0	4202	0	688	0	0	0	217	466	0	486	559	0	941	628	0	0	0	446	650	0	0	0	23676	0	0	0	0	899	0	0	0	627	565	0	0	0	727	0	0	0	0	0	0	0	0	1781	1955	0	0	0	0	0	1003	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	371	0	0	0	215	0	106173	0	0	0	0	317	0	348	0	0	0	96348	33408	598	4473	0	0	576	2517	538	0	0	499	371	0	0	0	0	0	0	270	Peptide	0.35	1.8	0.2
14	C20 H36 O7 N4	445.2657	445.26642	-0.014771948	445.26566	3135	0	2308	0	0	0	0	0	0	0	1829	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2831	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26516	0	0	0	0	0	0	0	0	0	0	291660	112224	0	6537	0	0	2302	3356	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35	1.8	0.2
8	C20 H36 O7 N4	445.2657	445.2662	-0.017925516	445.26566	53528	50888	46113	50847	1030	38662	0	1096	0	2590	30515	0	992	0	708	2823	0	2090	0	0	0	1814	0	1443	858	0	948	449761	1383	817	1662	0	5325	1551	0	899	4611	0	0	0	0	3977	0	0	0	0	0	0	1967	0	54014	49769	1339	0	0	0	670	3689	0	0	0	0	0	0	0	0	877	0	0	0	0	1338	0	0	0	725	0	603	0	1518608	0	0	0	0	0	0	0	2083	1567	1399	4776343	2884741	0	155220	25019	0	52428	48989	0	0	0	1143	1189	0	0	974	0	0	626	1002	Peptide	0.35	1.8	0.2
16	C25 H36 O5 N2	445.26968	445.27042	0.05162642	445.2697	2326	2831	1858	2939	0	0	1059	0	0	7441	2260	1097	0	0	0	0	0	0	0	0	0	0	0	2287	1406	0	0	0	2140	0	2161	0	0	0	3631	0	2193	1100	1458	2769	1686	1942	685	0	0	0	0	0	1993	1028	3392	3014	0	0	0	0	0	0	93400	16650	0	7663	0	0	0	0	0	1784	0	0	0	0	2877	1778	0	0	0	0	0	0	0	0	90077	0	0	0	0	0	0	0	0	0	0	2367	3328	0	2210	3505	0	0	0	1942	0	79058	165132	0	0	0	1170	0	Lipid	0.2	1.44	0.08
24	C22 H40 O7 N2	445.29083	445.29156	0.29420894	445.29095	1109	2057	1883	1671	18592	2156	0	0	0	0	1112	0	3376	4409	0	0	0	10653	0	0	0	1463	0	2061	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1060	0	1463	0	8251	0	0	0	0	3282	0	0	1535	0	2019	0	0	22525	12012	1585	0	0	0	0	0	2193	0	1455	0	0	1132	0	0	0	0	0	2909	0	1197	1551	0	0	1993	0	10918	0	0	0	0	0	0	1121	0	1480	0	0	0	5108	0	0	0	0	Lipid	0.3181818	1.8181819	0.09090909
22	C22 H40 O7 N2	445.29083	445.29156	0.022410862	445.29083	0	0	0	0	22757	0	0	0	0	0	0	0	12358	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2021	0	0	0	0	0	0	0	0	0	0	0	0	17608	15295	0	0	0	0	0	0	0	0	0	0	0	0	3411	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3181818	1.8181819	0.09090909
20	C27 H40 O5	445.29486	445.29532	-0.19499616	445.29477	16105	19693	13654	11873	9713	4575	24204	20292	11960	2301	4409	15075	4682	17899	17375	25780	68210	4507	14769	4583	0	5632	10545	11573	16456	1487	33505	6139	26550	25545	12867	22172	16086	12466	2439	22979	10711	16264	67783	1147	3546	11101	0	0	0	3505	4662	0	22358	16971	13951	11697	11833	0	8920	12893	11857	22146	5344	11312	17967	1536	5592	4299	14602	7008	13266	73041	2992	1492	8376	8575	13014	27609	59001	22284	0	9895	28009	11536	13052	4353	7439	0	19191	15659	38460	10864	14732	66857	12432	10993	13472	3447	3194	0	13349	14851	12778	19380	24484	31305	13509	8401	1971	17759	16150	0	20657	3660	Lipid	0.18518518	1.4814814	0.0
6	C21 H40 O6 N4	445.30206	445.3024	-0.26235694	445.30194	0	0	0	0	0	589	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11060	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	811	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	96262	0	0	0	0	0	0	0	0	0	0	70040	29380	0	3975	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.9047619	0.1904762
12	C21 H40 O6 N4	445.30206	445.3028	-0.21896517	445.30197	4283	3298	1996	2216	0	5913	0	0	0	0	2101	0	0	0	0	0	1856	0	0	0	0	0	0	0	0	0	0	49355	0	0	0	0	0	0	0	0	0	0	0	0	0	1183	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	311676	0	0	0	0	0	0	0	0	0	0	265531	85897	0	27280	1853	0	3385	2658	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.9047619	0.1904762
14	C21 H40 O6 N4	445.30206	445.30255	-0.13375954	445.302	0	0	0	0	1476	3106	0	0	0	0	0	0	0	8038	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2215	0	0	0	0	0	2612	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5607	1664	5117	0	0	0	0	0	0	0	0	0	0	0	36243	0	0	0	0	0	0	0	1261	0	0	152275	24556	0	3561	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2971	Peptide	0.2857143	1.9047619	0.1904762
10	C21 H40 O6 N4	445.30206	445.30264	-0.104327545	445.302	2014	2045	4342	2632	0	6784	0	1040	0	0	2533	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	69855	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2419	4314	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	528477	0	0	0	0	0	0	0	0	0	0	306800	79047	0	31473	1317	0	4252	2320	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.9047619	0.1904762
8	C21 H40 O6 N4	445.30206	445.30246	-0.07309288	445.30203	1202	1460	1436	1001	0	2245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1234	888	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	170923	0	0	0	0	0	0	0	0	0	0	192024	68447	0	12882	0	0	0	1011	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.9047619	0.1904762
18	C26 H40 O4 N2	445.3061	445.3066	-0.12532346	445.30603	0	0	0	0	0	0	0	1778	0	0	0	2968	0	0	7090	7210	8998	0	0	0	0	0	0	0	1780	0	0	11852	7940	3544	9852	2873	0	0	0	0	0	7661	2368	0	0	0	0	0	0	0	0	0	13351	4670	0	0	0	0	0	0	0	4238	0	0	2441	0	0	0	0	0	0	34346	0	0	0	2121	5394	11027	1600	0	0	2371	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2508	0	0	0	0	0	0	0	Lipid	0.15384616	1.5384616	0.07692308
24	C28 H44 O4	445.33124	445.33163	-0.22279997	445.33115	10313	12054	15883	13242	7009	10468	34909	22371	2638	0	3841	13227	0	10197	13569	36199	97467	1175	4766	0	0	1264	5101	7871	16567	0	39184	5961	27001	44078	24204	34058	13162	14253	0	37875	9734	19821	101618	0	2003	6248	0	0	0	1636	1543	0	25283	31501	11260	13873	6104	0	2188	5576	7575	24579	1915	5529	22462	0	2090	3375	11781	3036	14611	120446	1175	0	2054	8516	16237	52484	65570	41831	0	15645	19594	4266	7311	2344	7817	2230	7779	11402	45656	10024	11087	75578	10755	4579	9202	1145	1387	0	14645	14086	2907	7290	5879	27162	14223	6901	3460	10037	6983	0	20875	0	Lipid	0.14285715	1.5714285	0.0
22	C28 H44 O4	445.33124	445.33163	-0.1402403	445.33118	2749	0	1939	2815	0	2481	6309	4091	0	0	0	5001	0	0	1969	9159	30554	0	0	0	0	0	1712	0	4522	0	7419	0	5057	11613	7378	5758	2243	1146	0	8885	2749	3598	32178	0	0	0	0	0	0	0	0	0	4582	5590	0	2124	0	0	0	0	1994	4573	0	0	2072	0	0	0	2087	0	1699	40730	0	0	0	0	1960	12284	28626	9170	0	1372	2652	0	1667	0	1471	0	0	0	8168	0	1975	24741	0	0	3508	0	0	0	0	2685	0	0	0	4043	2473	0	0	1862	0	0	3487	0	Lipid	0.14285715	1.5714285	0.0
22	C20 H15 O11 N1	446.07178	446.07233	-0.107746065	446.07175	6952	6761	5844	5816	9451	8756	0	2058	13438	9847	3167	1690	26244	7161	2940	3337	2412	15554	14996	6028	16122	26603	1965	2893	1994	0	1510	1671	0	0	0	0	2549	0	9308	0	4192	2990	0	5027	12625	3377	0	0	563	3786	20522	0	0	1330	5565	6140	7097	351	15463	10237	5752	4352	1486	1632	3672	8639	23443	15663	4581	14116	4796	2721	2552	0	0	0	0	0	2172	0	350	1329	4801	22120	8583	7536	1202	1308	16373	7549	4948	6385	6046	3755	0	5070	4300	35485	36023	0	8500	4227	6444	15384	12797	3816	1784	0	13462	3673	7879	0	2224	29467	Phytochemical	0.55	0.75	0.05
26	C20 H15 O11 N1	446.07178	446.0722	-0.1571458	446.07172	9221	6619	7224	6445	10278	7753	1997	0	13366	11468	2499	0	23871	3665	0	0	0	20782	15791	0	11389	22136	0	0	0	0	0	0	0	0	0	0	2311	0	11148	0	2523	3884	0	4123	7853	0	0	0	0	0	12925	0	0	0	8461	6212	8953	0	18260	10439	3836	0	0	0	0	4455	25788	19091	3872	16971	3303	0	0	0	0	0	0	0	0	0	0	0	8646	11351	9703	4688	0	0	15072	7603	6741	5247	5363	2240	1980	1928	0	23986	27855	0	6739	0	5592	9561	15742	0	0	0	6114	2592	8055	0	0	27332	Phytochemical	0.55	0.75	0.05
14	C20 H15 O11 N1	446.07178	446.07245	0.08190407	446.07184	5936	8014	6651	8756	12817	3146	0	0	19159	20199	14825	0	29549	3977	1370	0	0	9619	12651	8439	23259	40556	2953	0	0	1238	1936	0	0	0	1208	0	2751	0	32199	0	2306	2091	0	8870	26918	3843	0	0	0	6683	23937	0	0	1247	10399	7744	7415	0	15476	15575	5245	3512	0	0	0	10822	40979	21311	4165	17753	4028	2247	0	2554	7812	0	0	0	0	0	0	1547	4798	25961	2827	11348	0	2748	19938	7609	5641	3338	3298	5653	0	2943	4188	47235	30627	0	6860	7965	12585	21263	13396	0	1485	0	0	2142	12607	0	1751	28534	Phytochemical	0.55	0.75	0.05
28	C20 H15 O11 N1	446.07178	446.07227	-0.012579099	446.07178	7544	8327	6637	9234	12982	6760	1978	0	12307	10397	3286	1927	19877	6553	3518	2922	0	19337	18157	4851	14474	21471	5096	2409	3484	0	1571	0	0	0	2384	910	4751	0	18541	0	3566	3394	1600	6347	8617	3171	0	0	0	7511	11664	0	0	0	7592	5978	10439	0	19395	8878	3457	2607	3054	1692	5986	7450	25006	16524	4515	13223	5327	2757	3776	2276	2966	1545	0	0	0	1408	0	1536	9809	13223	8008	4629	1598	1757	13988	6579	6648	4383	7642	3321	2546	2950	5658	21615	25499	1221	9104	6936	9296	9414	12305	4130	1777	3368	6647	3184	8627	0	2744	23987	Phytochemical	0.55	0.75	0.05
16	C20 H15 O11 N1	446.07178	446.07236	0.04474392	446.0718	16521	10957	15435	14953	22005	8202	2151	0	20910	26513	14590	2084	37966	4343	2613	0	0	20511	17791	11716	29677	49001	6932	3463	1436	0	1861	3656	0	0	2369	0	6686	2412	36918	1545	2519	2949	2366	13891	27928	2974	612	0	0	13866	37808	0	1854	0	14310	10089	11122	0	30130	21699	10122	2393	0	2949	0	18149	54943	24464	6278	26674	9506	2913	6286	4117	7497	0	0	0	0	0	0	1504	8005	38357	3737	18614	1841	1354	27660	8937	6285	7390	6756	0	0	7086	0	53236	45946	0	9176	13768	12407	20505	19747	4647	2446	4215	16011	0	20568	0	1403	35064	Phytochemical	0.55	0.75	0.05
24	C20 H15 O11 N1	446.07178	446.07227	-0.12601995	446.07172	7145	5312	4666	3943	10119	6907	0	0	9718	11342	1489	1390	17286	3035	1837	1316	0	16573	12300	7531	7271	20002	5450	2027	0	0	0	0	0	0	0	0	2862	0	12195	0	1843	2357	2214	4225	5391	1474	0	0	0	5861	11864	0	1579	0	6273	3334	5038	0	14989	7634	2105	0	1055	1520	1371	5592	18389	13214	2838	8757	2630	0	1361	1784	1231	0	0	0	0	1277	0	2910	7228	11743	4675	3419	0	1546	12674	4389	3606	4404	3659	0	0	0	4431	22354	26800	0	6587	3633	3533	8652	14525	1293	1596	0	9673	1224	7379	0	1772	22268	Phytochemical	0.55	0.75	0.05
20	C20 H15 O11 N1	446.07178	446.07236	-0.021635147	446.07178	10230	14038	7353	7649	14236	8179	1936	0	20746	14982	6274	2075	29940	4531	6730	7912	2515	27312	19992	10906	20333	49155	6013	5852	2344	1771	1204	3538	2824	0	1517	0	5922	1827	21084	2039	4474	4562	3169	15670	18254	6865	1099	0	0	14539	24020	1062	2933	0	9301	8680	11233	614	25290	16215	6993	5011	3209	3174	3591	12376	28856	19796	4882	16276	6111	3605	3137	0	4297	1367	1610	0	0	1341	379	3319	11002	31459	5274	13217	0	0	16724	9223	7351	6676	7466	5709	4654	0	9922	50501	34009	0	10457	8874	10291	14374	11477	6350	2749	3316	15794	5556	9071	0	2685	31761	Phytochemical	0.55	0.75	0.05
18	C20 H15 O11 N1	446.07178	446.07233	-0.04173175	446.07178	14816	10608	10866	10890	19325	7751	2080	2154	23480	22367	9611	3930	36139	5963	5131	2810	1894	24956	29125	14532	27434	52892	6464	2812	0	0	2993	2743	0	0	1919	0	2809	0	33162	0	4731	3132	2910	14116	24381	5936	728	0	0	13477	35697	581	2457	0	11037	14180	11064	0	27268	23165	9271	2823	2617	3704	3577	16078	52612	23376	6492	22155	7504	3333	3626	0	4388	0	0	0	0	0	0	1999	10891	33908	6521	18003	0	4866	24009	8840	9006	8546	9091	8565	2868	6116	6401	54190	39438	0	15080	12908	18817	26644	23476	2745	1379	4190	19480	4564	12644	0	4923	34314	Phytochemical	0.55	0.75	0.05
12	C20 H15 O11 N1	446.07178	446.07254	-0.024289384	446.07178	5590	3337	3578	3315	6651	1826	0	0	11621	6730	3602	0	13683	1532	0	0	0	5127	6605	5083	9915	16529	2775	0	0	0	0	0	0	0	0	0	0	0	17855	0	1341	0	0	7147	23459	1115	0	0	0	4491	10573	0	0	0	3866	4360	2936	0	9381	9602	3006	0	0	0	0	6752	26714	11216	2216	9749	1670	0	0	0	5412	0	0	0	0	0	0	0	2141	0	1927	7872	0	0	11609	2976	2505	2994	1472	0	0	0	2132	21438	11616	0	3324	5588	8204	13226	9718	0	0	0	0	3055	5214	0	0	20370	Phytochemical	0.55	0.75	0.05
18	C17 H19 O13 N1	446.09293	446.09363	0.092166126	446.09296	7371	4727	4544	5479	15698	9753	0	0	19831	0	3101	3118	27513	4993	2547	0	1915	15142	15396	0	5476	0	8061	1213	0	0	0	0	0	0	0	0	2685	0	0	0	0	1459	0	0	4247	7407	0	0	0	4186	10777	486	0	0	2599	4070	8421	0	24620	20013	4617	1621	1822	2701	2566	5831	17424	19287	8806	9791	7981	1866	3469	0	0	0	0	0	2872	0	0	2904	0	0	1521	3597	0	0	18540	6197	2093	6100	6211	0	3459	3116	3305	0	0	428	6623	4249	20633	12793	13879	2032	2760	2379	13297	2450	11179	0	0	22202	Phytochemical	0.7647059	1.117647	0.05882353
16	C17 H19 O13 N1	446.09293	446.0935	-0.001511543	446.09293	6628	9732	6613	5779	23399	12676	0	0	28405	0	4085	4908	53255	8838	4403	2295	5029	31949	24387	3415	5719	8290	8432	0	0	0	1522	0	0	0	0	0	3945	0	0	2126	3682	2614	1425	3998	4520	12622	896	0	0	7072	10679	440	0	1223	6535	6177	13871	0	30794	30021	9786	0	0	3118	0	6216	36731	33691	11366	15863	11032	0	0	0	0	2248	0	0	4995	0	0	2633	3277	11730	3115	4666	0	0	33772	7434	3023	8345	8114	0	0	0	0	10018	0	0	5169	6985	27920	23039	29299	4430	5583	2202	8280	0	21995	0	1191	41315	Phytochemical	0.7647059	1.117647	0.05882353
12	C17 H19 O13 N1	446.09293	446.09366	0.10193243	446.09296	10730	5722	4855	5280	31908	10429	0	2526	33302	0	8623	6033	54013	5192	5007	2569	3695	32374	40223	5743	15896	8383	11640	0	1297	0	0	0	1689	1500	1844	0	4580	1660	0	0	4154	4177	1863	0	0	18144	0	0	0	3037	11617	0	3001	1379	6807	7997	13554	0	44747	47291	14583	0	0	0	0	3525	58832	37788	13348	25887	10615	0	0	0	0	0	0	0	3068	0	0	1882	3119	0	3819	4309	1507	0	39711	12096	3889	13975	11499	0	0	1935	4560	14992	2889	0	5566	10152	32887	35258	42489	3798	5292	0	0	3244	27232	0	0	56687	Phytochemical	0.7647059	1.117647	0.05882353
14	C21 H19 O10 N1	446.1082	446.1088	-0.023462612	446.10815	54686	50383	38902	48514	46143	27668	10752	11852	58362	174446	100026	8778	90162	25819	15595	24324	17683	69724	56146	102868	139660	140022	22726	14425	14913	49637	12080	50450	9987	11097	13391	9660	20099	10053	234649	5496	20256	16810	16526	97146	127924	20513	0	0	0	84220	124195	0	12830	11810	47329	37336	29093	0	68824	47621	18067	14837	15848	20841	25528	77135	87051	64703	18283	60445	25911	12755	86728	90384	101261	8920	12878	3717	8368	11836	0	10901	35809	101051	21195	67704	11036	48585	51050	25977	30933	27050	29889	35884	24660	34884	38712	142358	134103	0	50689	51721	40428	54822	40900	19451	13301	21352	72221	22727	37726	0	13722	79733	Phytochemical	0.47619048	0.9047619	0.04761905
12	C21 H19 O10 N1	446.1082	446.10883	-0.00610185	446.10815	27796	26001	30055	31925	33725	17934	4923	8087	39606	101449	71864	9707	52549	13315	7992	12865	9830	34182	41779	69695	91835	101308	17096	16416	6479	30761	4313	47775	8733	3626	9014	5875	15621	7465	156200	6742	11227	8866	12662	66448	90941	11822	547	0	0	45916	97675	0	8659	6166	36723	28921	20537	0	41315	29805	16467	12140	10568	16549	19662	58032	70210	36208	13154	43563	14296	14394	61960	58000	86363	7422	8876	4760	6268	6022	0	6620	21658	68837	15211	43933	9968	26930	41578	16680	23789	13315	14063	25519	15124	24886	25303	89809	70445	0	28528	32115	35706	44562	33720	17801	7113	15832	37646	16002	26270	0	7858	59761	Phytochemical	0.47619048	0.9047619	0.04761905
26	C21 H19 O10 N1	446.1082	446.1086	-0.19021776	446.1081	6568	5079	4945	4604	8669	7540	0	0	7045	23971	5198	0	16339	3146	0	0	0	12498	9324	9865	11569	20003	0	0	0	0	0	0	0	0	0	0	1965	0	21947	0	1930	0	0	11895	7043	0	0	0	0	11319	17526	0	0	0	6535	4588	5217	0	11616	8251	2773	1869	0	0	0	7147	15980	11381	0	5441	2617	2631	5719	9766	9056	0	0	0	0	0	0	0	7445	9835	2783	8153	0	2968	7914	0	3998	3929	2213	3490	3833	5088	0	20869	38630	0	5052	0	4217	5526	4567	0	0	0	7586	2597	0	0	0	12666	Phytochemical	0.47619048	0.9047619	0.04761905
20	C21 H19 O10 N1	446.1082	446.10867	-0.11582821	446.10812	30420	31040	34064	27042	32756	26593	7661	9255	45275	122555	35358	7828	64123	18367	11518	12757	7698	45670	43440	66587	73675	88099	14721	9803	14371	28311	6884	23883	9219	4179	7308	6228	8920	6675	115764	4548	15029	10293	5873	66498	57173	15712	2017	0	0	66061	77600	801	7134	3875	29792	30085	22687	459	47739	37982	16036	13745	13191	7381	8458	45565	68288	46071	12949	43270	18755	6494	26098	36026	48548	6449	3337	3087	6818	6033	451	7595	25059	64385	14467	44014	6543	45038	45358	21816	19437	16356	16609	15168	17327	24249	23516	93481	102522	0	34001	31884	27286	33709	35872	11583	5667	15154	50607	14043	30141	0	10827	67370	Phytochemical	0.47619048	0.9047619	0.04761905
10	C21 H19 O10 N1	446.1082	446.10883	-0.013942824	446.10815	18625	18758	14816	18126	19034	9408	2954	4491	24435	59226	39921	5545	39252	8679	4234	7335	5183	23778	23412	37953	55374	42533	9618	8850	3657	21241	4163	17422	2720	4581	3003	5425	8517	4489	92347	3251	7298	6304	7019	32126	51702	7936	0	0	0	24089	52697	0	9104	4673	17727	19042	12313	0	24807	20259	6202	4763	6276	7951	0	30924	40506	23621	7396	21349	9474	5225	48203	27078	54446	5154	4061	2637	4174	6447	0	3553	10288	25798	9711	22648	3987	12820	21957	10775	13607	8859	8269	15029	8805	8097	17442	41881	50238	0	18433	18802	21259	27022	20407	8863	2729	9741	17414	7579	14545	0	5962	33836	Phytochemical	0.47619048	0.9047619	0.04761905
24	C21 H19 O10 N1	446.1082	446.1086	-0.10985999	446.10812	7141	7216	6512	9440	9369	6495	0	0	15313	30113	5268	2613	12396	6307	3004	4961	2015	15956	15506	9836	17980	27184	5311	3662	2608	5434	2345	3583	1810	0	0	1319	2946	1868	30343	0	2401	2976	2131	14637	10945	3013	0	0	0	15959	25248	0	1900	0	7548	9123	7471	0	16069	10258	5208	3329	2725	1139	2184	10990	23162	11729	4026	14440	3833	1647	7487	9655	12234	1749	0	0	1699	984	0	1988	7058	17276	5411	15251	1963	8691	12976	4808	4722	4761	5312	2040	3462	3159	5571	31199	44503	0	7557	9065	7934	12251	9223	4124	1286	3805	15601	2601	7645	0	3992	23569	Phytochemical	0.47619048	0.9047619	0.04761905
28	C21 H19 O10 N1	446.1082	446.10858	-0.16981661	446.1081	6436	4765	5521	5079	4687	6507	1687	0	5818	18673	5675	1938	9889	2357	2488	2581	0	10727	10543	9158	9408	17374	2408	0	2447	3970	1477	2318	0	0	0	0	2610	0	15333	0	1828	1234	2029	7764	7469	0	0	0	0	9485	14212	0	1188	0	6051	5280	4119	0	8481	4421	2115	3203	2049	1590	2014	6138	9434	5229	2701	5888	3724	0	6809	6070	9070	933	0	0	0	1181	0	1279	4083	9023	4253	7258	1890	5590	6739	2664	3569	3249	2937	1938	2480	5835	5299	11847	24527	0	5485	3838	3620	2440	4461	1903	1480	3443	7638	2923	3950	0	1468	10731	Phytochemical	0.47619048	0.9047619	0.04761905
18	C21 H19 O10 N1	446.1082	446.1087	-0.08060051	446.10812	52658	43209	42854	41175	50530	33365	15886	11814	48499	173225	81151	7808	87545	26606	16026	19571	8361	76848	69110	109073	108047	134210	21382	24646	12839	47223	13809	41302	8698	9883	9914	10807	26944	9754	216307	7933	28727	11654	13741	101351	79664	22122	2634	318	0	86743	107901	508	12557	9128	42460	52878	35025	323	69113	47512	28639	22775	16781	10120	20237	72114	97450	56878	20586	64447	31057	9729	54819	64078	73507	11142	6700	4936	7679	11268	0	9360	28370	84735	23536	79246	14070	59924	57132	33043	29059	24106	22835	25829	32481	48076	33840	111662	174692	0	50735	51653	42330	45572	47323	16915	7800	24670	56648	17363	37880	0	16075	91452	Phytochemical	0.47619048	0.9047619	0.04761905
22	C21 H19 O10 N1	446.1082	446.10867	-0.11787052	446.10812	18822	20520	11640	14326	21910	12011	4978	3075	18084	57749	16495	4942	35481	10922	6882	8415	4773	28228	20154	28256	41137	55310	9236	5895	5859	10286	3675	12620	3261	2324	3904	0	4611	2304	61274	1334	6782	5377	3213	30184	23473	5980	0	0	0	36920	45357	0	3028	2741	17042	13743	13460	279	23721	23006	8526	8564	4607	2595	5412	27097	38413	24520	8437	19586	11944	2999	14180	16553	21870	2144	2017	1859	3343	3390	332	2931	16187	35979	11061	30764	3671	16395	24760	16615	12210	11592	7310	9770	9281	12574	13252	51512	71871	0	14808	19592	12864	22272	17896	6080	3015	7553	26644	7223	16383	0	5851	36156	Phytochemical	0.47619048	0.9047619	0.04761905
16	C21 H19 O10 N1	446.1082	446.10876	-0.0487171	446.10815	56225	58916	50713	53548	55502	36167	15064	13166	66893	196544	97059	10109	108407	23881	15618	25890	12442	78732	77470	125387	145608	148928	27829	26743	16571	55912	11508	57159	12430	9514	9622	13082	26514	11314	277558	11484	21037	15518	14274	108482	111367	22097	2190	0	0	87578	128067	495	14720	9230	56566	48948	42836	288	69773	53162	22679	19034	17558	18455	20051	85189	114971	59175	21537	73360	34329	15250	74235	85956	109402	13118	9041	7332	14184	10516	0	13171	39635	120706	25437	84825	19737	69817	58177	29444	37483	26232	27658	30366	34539	44141	36831	146478	180967	0	51369	60074	47495	48931	50474	24927	10080	20025	74334	25019	41928	0	16714	103172	Phytochemical	0.47619048	0.9047619	0.04761905
8	C21 H19 O10 N1	446.1082	446.10883	-0.09919364	446.10812	7632	9526	7461	5180	10705	2548	1773	2433	12254	25219	22049	2954	20585	2606	2291	3259	2911	7738	10012	14496	29569	23191	4266	0	1005	3202	1379	4102	0	1677	1558	5475	3578	961	45709	1403	3935	2850	2321	11228	23790	3474	0	0	0	8188	27669	0	1881	1894	6578	12586	6046	0	12245	7610	4270	2746	2814	3171	0	12052	20975	11804	3591	11343	4435	3470	12446	14616	29457	2145	2036	1429	2406	1837	0	1767	5978	11259	3219	8623	1422	5839	9413	4597	7680	3172	3616	7842	0	0	4161	25771	20927	0	7231	7991	9057	16034	11910	3615	1401	4997	0	3109	8525	0	1269	16877	Phytochemical	0.47619048	0.9047619	0.04761905
16	C18 H23 O10 N1 S1	446.11154	446.11215	-0.084442034	446.1115	8307	9850	5835	8570	7001	6444	2821	4779	5975	14053	6073	1970	12425	0	3146	6190	4248	10610	8050	11290	10653	18911	2434	5970	3547	7097	0	7482	2510	3732	2491	0	5093	4302	17197	2195	5506	3519	3695	16416	9155	4109	0	0	0	9883	7010	0	3767	1997	7687	8476	4868	0	11770	4786	3524	10715	10748	6095	0	13685	5439	5941	1962	5176	3168	3630	7444	8447	5807	2718	4274	3452	3533	2583	0	3579	4041	9067	1967	5111	4914	8295	4773	5428	3975	4012	5773	0	11627	16937	0	13014	24079	0	6457	11056	0	2242	3259	5570	2665	8500	0	0	3553	0	3184	7653	Organosulfur	0.5555556	1.2777778	0.055555556
22	C18 H23 O12 N1	446.1293	446.12985	-0.047403842	446.12927	13039	13453	9568	10040	17172	18952	3940	7967	19727	11982	14378	11728	17476	0	11370	6847	11653	27948	16348	17032	35650	9022	13726	11861	3633	6674	2808	3614	10221	8829	10985	5187	7630	8172	6588	6527	7968	9893	6837	13494	23965	12550	0	0	837	28730	83974	0	6752	10300	12412	8492	13298	510	16728	11289	9628	4536	12167	11257	4203	20390	15102	14281	10833	9390	7319	6478	20784	7127	20725	11692	7086	12422	10725	7808	810	13147	10149	8269	6981	33374	3975	4201	19107	8401	4254	7486	12430	3973	8160	4874	9486	12161	9866	0	13013	10376	21046	8663	8156	11088	10365	7653	56042	9991	20623	0	0	21601	Phytochemical	0.6666667	1.2777778	0.055555556
28	C18 H23 O12 N1	446.1293	446.1298	-0.13641319	446.12924	11471	7647	10691	9849	10855	11141	1512	5337	10680	19920	10306	7621	11181	2787	6503	3082	6112	18483	10409	27190	36833	6845	6386	6267	0	0	1705	3415	5104	4059	5097	4702	6710	4843	21575	5289	5601	5292	4357	11994	18817	5395	0	0	0	20182	42333	0	4686	3729	9942	8932	8416	0	9866	5268	4442	3899	4577	6447	3603	15679	10621	8457	5092	5935	6740	4332	17582	14489	20687	6096	4507	8628	6488	4002	0	6167	3528	5222	3804	19135	2579	4684	9573	4943	1540	3740	7586	2544	1410	4044	7126	6252	4381	0	9993	9949	10353	2377	2657	6737	5107	3648	27608	4401	7816	0	2081	14988	Phytochemical	0.6666667	1.2777778	0.055555556
14	C18 H23 O12 N1	446.1293	446.12988	-0.10315344	446.12924	106444	98656	95097	101251	152075	133468	38327	103183	225223	110322	120271	75341	335275	65048	109377	78971	105525	286671	249378	173434	279462	162086	142970	100263	33590	40696	42384	41952	75558	83711	59081	67348	91987	52877	155935	81171	69934	76869	71530	106709	155638	136477	4875	537	607	185109	368904	741	57730	103120	102037	83898	123253	585	351470	180453	86622	68966	122756	94709	104023	148649	271053	252061	88388	156530	121946	71071	164159	66458	117510	58623	58705	81545	85221	59467	327	85065	66637	152970	69332	140862	36090	28560	205885	114490	59884	85812	101274	47409	18026	52628	109425	141067	107699	1386	92505	148471	183607	118819	150361	113812	76864	98506	313632	73544	178192	579	30730	260817	Phytochemical	0.6666667	1.2777778	0.055555556
26	C18 H23 O12 N1	446.1293	446.1298	-0.118431054	446.12924	6184	7616	6084	7574	6765	10023	0	0	8922	12825	6359	4760	8460	3212	0	0	0	17457	9645	13885	28634	5576	6105	0	0	0	0	0	5846	0	0	0	3833	3352	11534	0	2965	4755	3900	8539	12878	0	0	0	0	17980	48045	0	0	0	7419	6568	7742	0	10264	0	5201	2839	3392	7435	0	14395	7850	6562	0	4777	0	3226	8297	6468	15789	3850	4258	0	7360	2796	0	6241	2658	0	2934	15129	0	0	7802	0	3524	3838	4084	1638	0	1372	0	5452	0	0	6848	7304	8730	2668	0	5018	4129	0	24486	2646	7382	0	0	13065	Phytochemical	0.6666667	1.2777778	0.055555556
12	C22 H23 O9 N1	446.14456	446.14517	-0.09829485	446.1445	49120	64492	54247	52098	43552	26476	31609	40925	50227	195912	108813	17953	57721	29844	30055	35106	31642	52138	60977	155310	178202	129571	35122	44577	25817	107500	25155	82211	31916	27582	30089	26834	39730	27744	262984	26602	38832	24916	35613	138268	149316	23444	634	0	0	98908	120983	0	33609	35885	60275	58921	31010	0	56928	37885	24383	44519	41152	34765	30856	98431	73055	44463	17123	50778	26962	48529	153285	166421	181986	34989	25249	28557	24614	27383	0	27126	36010	81797	29061	64952	28773	71963	40950	21662	43053	23735	30586	61782	48633	60934	61788	97930	101923	0	59928	66160	40943	38539	35666	41463	24259	34960	69431	38413	34470	0	26729	72673	Phytochemical	0.4090909	1.0454545	0.045454547
22	C22 H23 O9 N1	446.14456	446.14505	-0.13765928	446.1445	27648	30050	23083	26075	23804	22870	7356	10000	33051	109200	50721	11239	38005	17131	14415	11096	6712	34975	32888	64581	74317	54793	15998	19602	16871	61196	9395	42659	16414	8873	13075	7217	14249	10248	111847	11517	20516	11493	7227	58036	42717	10525	0	0	302	55116	63911	0	9522	6599	31717	24747	21212	358	37247	27093	11952	14973	13900	10335	16194	46343	40537	29631	12279	36631	21568	9082	53377	86694	79384	13105	6657	2906	6234	8652	379	7449	21744	33895	13894	44235	11690	36980	27765	18786	19481	15930	17242	12086	20396	26787	25666	55384	78887	0	28905	30384	20490	28613	20343	14618	8551	20216	43843	18243	20867	0	11341	48513	Phytochemical	0.4090909	1.0454545	0.045454547
8	C22 H23 O9 N1	446.14456	446.14523	-0.08622405	446.14453	27314	24333	23016	25621	16684	10967	6903	9739	23007	87479	43812	8226	30396	9997	9416	16058	10284	17278	23965	61450	68124	49000	12835	13585	8238	29609	8645	24674	10903	7422	11295	12704	13027	9522	103033	9642	13501	8241	16437	41981	54456	9704	0	0	0	35518	50391	0	13845	9860	26050	27200	11647	0	24161	16241	10109	11588	8615	15685	11897	32905	34293	20976	6676	21998	11502	13667	44171	52044	78555	10896	10061	9072	10779	8591	0	7944	16147	26116	12202	22448	10539	26189	17789	8970	13006	10169	9071	20752	12265	21254	21348	38778	47173	0	20889	25382	20712	20598	18919	13027	7420	18334	25499	13970	17431	0	7667	28891	Phytochemical	0.4090909	1.0454545	0.045454547
26	C22 H23 O9 N1	446.14456	446.14502	-0.16133939	446.1445	5263	6519	6534	6194	6514	4586	0	0	8374	24635	10294	0	11508	0	0	0	0	9834	8026	8648	19526	16389	0	5489	0	8145	0	7484	0	0	0	0	4453	0	23303	0	2836	0	2999	14638	10595	0	0	0	0	11585	18437	0	0	0	9246	6592	5119	0	8249	0	2982	3624	2569	0	0	8331	11691	6138	0	6143	3457	2335	11080	21948	20392	4086	0	0	0	3083	0	0	2555	7772	3599	7586	0	4206	8913	0	3860	2742	3259	4845	3126	5196	4545	9153	25482	0	5800	5777	2436	4579	4792	0	0	0	0	3712	4755	0	2982	11368	Phytochemical	0.4090909	1.0454545	0.045454547
24	C22 H23 O9 N1	446.14456	446.14502	-0.11269054	446.1445	8947	10972	12573	11917	13494	9058	2820	5226	16206	49162	21587	2963	21425	10246	4687	4793	2869	18087	13384	22696	30877	27806	6557	9061	3508	24973	1219	9423	4193	2096	3778	4353	5882	3956	45639	1574	6204	4732	5131	23853	23050	4151	1799	0	0	23746	28600	0	6073	3280	11795	11980	10599	0	16424	9825	7730	6163	6437	2759	6222	21214	14266	12673	6356	11342	8719	2230	25208	36840	39572	3625	2202	1410	2820	2771	0	2082	10000	18604	9211	17900	3999	12541	15332	8608	9332	4552	5057	5781	4959	7014	9215	23058	41484	0	13242	9788	8440	12581	11364	5657	4773	8014	17214	5337	9938	0	6422	19071	Phytochemical	0.4090909	1.0454545	0.045454547
6	C22 H23 O9 N1	446.14456	446.1453	-0.0690384	446.14453	10241	8169	10215	10437	7130	7306	3576	5184	11071	38127	22092	4533	15891	4688	5155	7429	5183	9935	12144	20763	35090	18713	7367	8479	1580	10781	3823	12316	3242	3973	2871	4934	5826	3485	44056	3328	5898	4612	6302	14528	27718	5081	0	0	0	14156	25012	0	5128	5709	10038	9833	5458	0	11773	8171	3695	6279	3181	5687	7278	13006	16575	7865	2465	10094	5312	8303	21466	23155	30511	6450	3423	2497	2610	4330	0	3413	7412	9359	5792	11272	4407	6078	9917	3627	6180	4180	5071	9999	4853	8615	10379	17528	23714	0	8991	8953	8262	10708	11984	5854	3337	6913	11737	4595	7244	0	3916	16994	Phytochemical	0.4090909	1.0454545	0.045454547
20	C22 H23 O9 N1	446.14456	446.14505	-0.13628943	446.1445	63276	70006	63772	48947	65852	44466	20256	25831	65576	230518	95659	14551	87276	37279	29601	37412	16325	75829	87214	151164	176409	130112	29910	38398	32663	115354	18712	74491	31744	21168	22579	20343	36849	19926	252512	22429	42419	20200	20753	130076	95498	33261	1958	0	0	109133	112783	1065	27091	21992	59477	67156	44721	474	66184	50497	29242	40863	33571	19026	39437	99259	80628	53995	29049	68972	31173	17331	112572	166352	151604	22522	18387	13422	13846	20382	402	17963	40941	83513	32920	72021	26051	90158	63983	32273	42554	32338	32915	32042	53170	65209	64431	110994	134344	633	55736	72942	47465	42040	53974	28950	16706	40344	85391	36358	49197	0	21309	89070	Phytochemical	0.4090909	1.0454545	0.045454547
8	C21 H23 O8 N3	446.1558	446.15643	-0.091499776	446.15576	49507	58753	0	0	0	19717	0	0	0	0	34170	0	0	11170	0	0	0	0	0	0	0	0	0	0	0	0	0	22648	0	0	0	0	47217	0	0	0	46744	0	0	64530	68992	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38313	46368	54910	0	0	0	15919	33140	0	56964	27955	39957	0	0	36501	0	0	0	0	0	0	35919	0	35709	0	39043	0	17614	0	0	25486	83752	42088	55043	77335	44114	54559	0	0	0	0	29961	23868	0	0	61555	31885	0	0	0	0	0	Peptide	0.3809524	1.0952381	0.14285715
6	C21 H23 O8 N3	446.1558	446.15643	-0.12974125	446.15573	28801	31065	0	0	13049	0	16252	28963	16187	31653	19471	19002	0	6907	19243	35475	25607	17118	0	35211	44564	40654	0	37227	14945	9657	14689	15635	22691	22052	23234	24512	27427	0	43336	0	26279	19843	36124	29829	0	14346	0	0	0	34501	53525	0	32542	22194	0	26029	13485	0	19109	0	10391	24000	0	23139	31668	23616	19470	16787	11034	19469	14279	39546	17335	24468	32616	0	21049	18987	12592	20854	0	15651	23857	17369	18836	20280	16620	18879	13840	8757	24386	16901	15500	48675	14965	26124	43710	26459	29296	0	23827	0	10264	13907	14792	30089	16867	29726	20618	29963	0	0	19820	23746	Peptide	0.3809524	1.0952381	0.14285715
28	C19 H27 O11 N1	446.16568	446.1662	-0.11762497	446.16565	8821	5483	9041	6192	4687	5025	2177	7390	3915	22073	6269	4120	6570	0	4128	4829	3143	7058	6717	23644	22890	4570	5235	6849	3755	6725	2627	5438	5793	5535	4016	4541	5806	6512	19931	4356	5536	3821	3233	10794	9552	2555	0	0	0	10460	17181	0	6651	6717	7935	5503	4222	0	5642	0	2345	5151	4324	4821	4012	8777	4773	4619	1478	3046	2458	2451	12728	21433	15497	8635	5690	8966	6097	4332	0	4156	2469	2512	3417	8146	4586	7853	3393	3230	1556	1840	3902	4643	3432	5870	4997	2407	4983	0	6294	6361	3974	1884	3535	6144	3404	6781	8145	6551	3930	0	3388	6206	Lipid	0.57894737	1.4210526	0.05263158
26	C19 H27 O11 N1	446.16568	446.16614	-0.1527799	446.16562	3642	7200	5050	5287	4068	5574	1782	8451	4389	20960	3585	6020	7672	0	0	6232	0	7703	6687	16775	21628	5951	0	7710	0	0	0	0	0	6001	7473	0	3803	6676	14312	0	7407	4160	3037	11031	12090	0	0	0	0	11646	20640	0	5800	6864	7596	4159	3660	0	9227	0	0	3924	5225	0	5622	7622	5669	3058	0	3303	3157	4653	9178	14345	13035	8376	7476	0	0	3600	0	5571	0	0	3240	7078	0	6366	0	0	0	2487	2663	2314	2411	3899	4927	3774	6585	0	6943	6831	0	0	0	0	3572	0	10915	3330	0	0	3966	5895	Lipid	0.57894737	1.4210526	0.05263158
12	C19 H27 O11 N1	446.16568	446.1663	-0.119335875	446.16562	165920	157259	164231	155363	151353	128944	150683	328149	235635	239446	186870	146216	274319	71297	243051	184269	202303	305197	328682	415700	459393	204669	294134	236635	133268	159249	83086	134333	263058	186987	184445	123609	213987	158376	418675	207494	156886	187679	141989	209910	213053	159758	5434	821	588	327677	333511	439	147732	223627	165748	151217	157642	827	395276	186115	112860	154073	261007	184348	191546	233705	266451	222877	93241	181467	137077	168255	242989	224358	226278	158554	162664	227640	132383	143198	225	178624	171953	177355	179296	207349	138213	127747	223127	156649	147413	102520	149398	152937	77364	154597	236365	172834	155622	1817	170878	257941	214304	121168	165276	206530	147475	216214	294624	156555	209747	0	122969	273268	Lipid	0.57894737	1.4210526	0.05263158
10	C19 H27 O11 N1	446.16568	446.1663	-0.13701639	446.16562	100751	95324	92829	91922	69357	56552	68543	141455	98586	136673	102918	85090	133335	37944	102499	112109	97499	137547	141347	177858	185899	117348	115989	131951	59548	76850	59784	50446	113102	115103	83420	96665	97265	84704	163980	120781	87291	82985	75957	102791	108539	82813	3643	0	0	143576	171569	0	92433	126900	93119	103123	64868	695	165428	90035	51881	100452	113111	85505	158118	87777	106742	106091	51331	83557	68209	75910	122898	77101	97421	101330	98887	123729	83368	86889	0	70813	88679	69713	84300	88500	62056	51906	127830	71382	80503	56617	67815	71194	44239	70224	133653	73448	107005	828	99067	152150	83618	69112	84889	134042	75618	143371	129413	84168	95881	0	54458	117855	Lipid	0.57894737	1.4210526	0.05263158
24	C19 H27 O11 N1	446.16568	446.1661	-0.21116994	446.1656	9583	9612	10000	11003	8144	7592	3504	10853	6384	25067	6108	7923	13675	3659	7882	7771	7626	14805	10545	29805	25593	4964	9329	12220	4593	8419	3945	4983	13077	11097	6785	9746	8094	7772	20385	12523	7735	6511	4119	11452	14688	4269	0	0	0	23648	21859	0	9737	12566	9127	11079	4665	0	12685	7229	3980	7976	7657	5649	8338	11018	7966	9928	4386	9985	3667	6973	10478	18118	14797	13502	10029	13480	8390	7851	0	8840	7325	5280	9156	13296	5159	7253	8927	3628	4288	5587	5065	3180	5217	7832	9509	5282	8953	0	10295	9791	7011	5046	2058	6716	5279	9450	15774	5737	5725	0	4195	13134	Lipid	0.57894737	1.4210526	0.05263158
14	C19 H27 O11 N1	446.16568	446.16626	-0.10913491	446.16565	289657	299509	264078	281807	248668	272167	183077	420254	403655	465807	261026	205754	548874	144143	396699	338741	253067	583597	531004	692499	742552	389718	405282	390611	230469	230570	148319	231398	385876	368569	253341	319052	339233	229125	678025	400911	264902	261777	185473	351410	262671	279133	12403	1384	951	539187	525117	1120	241226	378066	285834	268371	245636	1753	750062	306063	156120	270051	449063	173829	407157	361591	446917	433879	168120	306511	253601	166263	422453	340860	275794	270251	259939	407688	211167	245192	618	255366	252980	244779	251014	311843	179684	167278	339373	246683	193629	188699	220626	153434	171847	249444	392743	235197	323343	3096	268796	417980	288391	199822	270719	395145	217735	432487	470408	224838	312482	802	158747	412794	Lipid	0.57894737	1.4210526	0.05263158
6	C18 H27 O10 N3	446.1769	446.17764	0.030092817	446.17694	15182	11672	9788	10724	4874	5624	6436	13970	8532	3982	4066	6806	11824	4132	11296	11248	13480	11660	13858	6188	8262	18400	10310	15224	6712	0	4498	0	17332	10618	11678	18420	16196	17260	6190	11130	17362	9542	13680	3906	2066	6899	0	0	0	6512	0	0	14206	12164	14494	12748	5906	0	11046	4954	5298	13638	7204	4162	20502	0	12076	6834	4972	12836	11350	16222	0	0	0	14460	9234	10252	5886	8852	0	6694	6748	0	9564	2526	3444	0	6900	6384	9214	10750	10523	25280	18868	21194	27442	4124	2886	0	14422	8810	3726	6370	3896	17590	10122	8212	0	20520	2606	0	6400	14360	Peptide	0.5555556	1.5	0.16666667
28	C23 H27 O8 N1	446.18094	446.1814	-0.17189543	446.18088	5940	5872	5399	4028	5379	4094	2689	4908	4425	13327	6493	2549	9223	2430	4222	7508	4344	7277	9694	6228	9735	10134	4488	8227	3286	10623	1305	6912	4565	2971	3333	5636	7468	3892	12705	4213	6062	2688	5060	7654	8605	3162	0	0	0	5624	7806	0	5511	3274	4275	4752	4251	0	7584	3617	2157	5969	2205	2363	7487	4583	5422	6941	1198	6778	4749	5379	15025	19718	22245	4807	4095	3185	3712	3085	0	4537	5296	4452	2590	2470	1770	3688	5935	0	5899	3859	2948	12049	4931	7667	12309	4674	9431	0	5990	5380	2980	4967	2598	6664	2833	3899	0	8319	1201	0	3944	8595	Phytochemical	0.3478261	1.173913	0.04347826
8	C23 H27 O8 N1	446.18094	446.1816	-0.14365856	446.18088	32890	32130	30833	31048	13990	13886	15344	23917	20304	90988	47422	12287	21685	10999	15076	26764	18291	19719	26637	88449	99738	53412	14906	25618	14707	42901	11987	33494	22847	20419	17888	21317	25679	15820	114209	19574	20762	12878	19782	63643	59160	13593	0	0	0	48142	51803	0	23444	18324	32558	30663	15466	0	26022	16349	9367	22636	9212	17805	28265	36405	27775	23766	7744	24999	14888	21662	55304	87038	80863	21175	17373	17486	18193	16077	0	12492	18735	22700	14907	19072	13378	39682	14159	10669	17729	11316	12270	29488	26860	37863	34945	38208	61815	0	35184	26950	13935	15451	14299	22078	12061	27529	17181	19262	10657	0	14274	21035	Phytochemical	0.3478261	1.173913	0.04347826
12	C23 H27 O8 N1	446.18094	446.18155	-0.15487681	446.18088	53344	64498	59370	57516	34626	31194	36951	55214	36800	141925	86605	29709	40628	23935	33750	50827	46577	46978	51172	158130	156126	108383	39026	60947	36629	112137	30165	70491	41770	34717	34930	41790	50957	41978	204797	34432	48058	37692	47290	113097	105926	25443	559	0	0	89656	84831	0	44129	48118	54668	60582	27981	0	47679	25107	21088	45546	33870	53984	42038	70412	45786	30571	15983	42401	28120	60489	114027	181634	173379	39292	39961	41257	32922	39500	0	31736	36053	51848	37374	48222	32333	72300	36170	21863	45910	26209	27453	87590	58546	70687	77399	59635	76997	0	65594	63176	33402	29432	28202	48719	28509	58473	36737	44254	30025	0	37693	45704	Phytochemical	0.3478261	1.173913	0.04347826
26	C23 H27 O8 N1	446.18094	446.18137	-0.20437346	446.18085	13501	12067	11465	10825	11386	7216	1942	10018	9518	25018	9399	3395	15985	3081	7104	15026	0	15774	14028	15381	21004	14719	7897	16956	0	23657	0	12430	5960	0	6980	5207	9900	7673	21245	0	10438	5242	8182	20733	18487	5995	0	0	0	12350	18666	0	5912	6428	10878	12580	5717	0	11111	0	3621	11293	3831	5884	15038	10774	10488	6373	2575	10747	8448	8239	27709	40891	47930	8360	7268	0	0	6289	0	5351	9370	8040	8779	6483	4037	8459	10249	0	6061	6996	8239	19406	8283	5360	14400	5229	18918	0	13512	10144	7019	8649	6817	10274	5253	7537	6616	10078	4959	0	6242	13076	Phytochemical	0.3478261	1.173913	0.04347826
18	C23 H27 O8 N1	446.18094	446.18146	-0.13423865	446.18088	140856	132343	142457	135540	112031	84588	69368	111673	85902	353929	194779	59299	132187	74862	93261	127660	80217	137527	144159	373642	344379	169914	97645	134773	83609	296245	58890	181561	110941	96285	97845	111040	128975	110743	357842	122798	122154	70381	75094	261463	202307	80485	3533	361	311	157172	141303	0	116991	83362	140420	145231	92093	697	109913	82774	56106	127293	89576	81639	121373	171340	123705	90476	48852	118678	89901	91063	262664	411851	378042	100363	81170	84105	76133	104037	0	71214	104030	119285	82157	108840	76617	167251	103028	68180	109532	81892	83042	122506	135480	166509	190032	129791	208183	772	138573	140313	80972	75380	89158	124348	57784	133519	89888	115900	77946	0	85049	122259	Phytochemical	0.3478261	1.173913	0.04347826
24	C23 H27 O8 N1	446.18094	446.1814	-0.16981874	446.18088	25116	23702	27824	25571	27513	22590	7171	16539	24656	65882	36131	12359	35273	15187	11988	73232	12700	28907	30201	52715	52567	34501	21055	24823	11596	53004	6687	29519	13431	12198	12487	18413	17780	14854	71192	14180	22722	10909	12457	45947	38655	7925	5035	0	0	35116	35954	0	17034	13777	27685	25434	20551	0	24078	19448	8555	20740	11752	9833	24002	34858	25795	25677	9576	26876	18153	17170	59438	84926	89117	15313	11631	8496	10329	9570	0	12826	21794	21057	17619	21076	8448	25059	32232	12014	20665	15968	13111	29220	15632	24960	30066	31305	44516	0	23170	28155	16590	15947	19922	15909	8899	21296	26858	25163	15508	0	10943	34479	Phytochemical	0.3478261	1.173913	0.04347826
6	C23 H27 O8 N1	446.18094	446.18164	-0.17338642	446.18088	16584	16666	13385	16335	8228	8270	8086	14482	9701	43609	21322	7432	14577	6163	8717	16562	10129	12520	14402	37090	49039	24870	10985	18116	9444	25946	6870	19505	12026	11171	10954	11074	14102	11559	52789	9997	14726	8140	12544	26654	26201	6614	0	0	0	24514	28197	0	15080	12731	14662	16313	8208	0	13334	7824	4064	12284	4767	6705	13782	15635	11695	10714	4650	9861	9312	15096	23950	47042	41917	11515	9930	10351	8106	9573	0	6500	10669	11632	8097	11058	6786	15194	9786	6200	11166	6629	7075	18383	17473	15683	20429	17273	26178	0	17293	14598	5831	7041	8809	15262	7428	16287	12111	13807	6003	0	8627	10497	Phytochemical	0.3478261	1.173913	0.04347826
6	C22 H27 O7 N3	446.19217	446.19293	-0.16137907	446.1921	32013	0	29011	28946	11302	0	20979	36936	10300	29833	18451	18685	0	6658	25240	43011	29314	16404	22604	38248	0	40920	25347	46755	26241	12563	17787	17100	30794	0	24144	0	34074	27136	33916	0	34270	22615	0	30651	37147	13296	0	0	0	29678	39151	0	0	27308	33092	31323	16143	0	17577	13362	9394	40866	16629	21436	39864	22561	12583	14428	9540	17888	17258	35645	12240	24823	22692	0	0	0	18930	0	0	0	29670	37316	22256	14634	0	21303	9948	10062	31351	17060	19607	63112	60252	39158	62508	32015	33810	0	28950	0	8743	16070	15026	32126	0	42585	15605	0	9748	0	27278	0	Peptide	0.3181818	1.2272727	0.13636364
18	C22 H27 O7 N3	446.19217	446.1934	0.016971353	446.19217	19883	17641	15011	13816	13819	15358	23638	22583	0	11888	9026	10094	11261	7094	15730	22056	19420	20074	15921	14267	17054	21623	18256	28078	22188	0	21617	9765	20328	14376	19628	18750	28232	22078	0	18862	27698	13702	22459	13356	12486	12337	686	0	0	17208	12773	0	23750	11567	16825	15322	14359	0	36288	6835	10824	24149	12278	6876	28859	7681	20824	14209	10112	15012	12901	26254	0	20316	6414	18768	13691	12380	12481	16954	0	15563	22706	13261	16129	10386	15350	9327	9515	14513	19624	17322	11314	17707	38432	35637	41771	7228	16206	0	35204	15835	5748	9160	7321	28129	11041	15587	5855	23384	18794	0	19705	13392	Peptide	0.3181818	1.2272727	0.13636364
18	C24 H31 O5 N1 S1	446.1996	446.2	-0.5724389	446.1993	304712	268379	279011	277191	197763	231597	171657	439284	292632	471391	174356	161734	450398	120527	379052	290960	127428	442360	490866	546521	407188	280185	353815	412428	330196	148337	131336	146551	457532	339355	312852	310129	394542	302698	545587	386914	392279	245315	118976	315047	101548	226884	6856	1088	551	336839	146597	613	325911	330401	293003	292540	214590	1858	684243	247987	141107	292923	345986	93101	330174	209075	366592	337685	123854	273666	225458	117330	133810	306774	128204	337368	289786	409282	163894	307261	358	273508	239367	126086	203810	145678	205354	160419	226967	210297	186589	140761	205183	105571	261190	349792	448123	129640	251927	2363	298045	341354	185443	144874	173559	392030	196345	361123	149484	250226	172894	596	199382	376006	Organosulfur	0.20833333	1.2916666	0.041666668
10	C20 H31 O10 N1	446.2021	446.20267	-0.16228554	446.202	39800	39709	35769	34118	17986	18857	33408	63644	33445	38052	24899	32665	45934	13384	52665	52348	37506	39316	42985	64403	49571	44700	49265	70914	44839	29786	26000	15279	59834	53992	43050	48655	43104	33900	49161	61451	44908	33250	35481	40072	32845	31024	1080	0	0	54628	40857	0	44911	59449	40995	39529	20172	0	49538	30223	17990	49164	55723	28152	59334	24498	30650	30308	21090	28691	25189	36641	29965	28313	28209	45251	39652	58000	37799	42154	0	35898	43366	19180	38966	29260	33954	21915	37755	26303	32276	22137	21121	25791	20004	35197	62870	20280	29639	536	41929	53574	24075	27433	37916	64048	29892	68987	16759	36894	28957	0	28091	35967	Lipid	0.5	1.55	0.05
6	C24 H31 O7 N1	446.21732	446.21802	-0.12760803	446.2173	16623	12975	11776	12726	4659	5612	10941	18223	3917	23146	10726	12363	3542	2256	11531	20453	11698	4773	8290	32322	30273	14024	11298	20196	9072	14184	11241	7479	19072	24669	17245	19016	20227	14135	21485	21727	18484	10268	17353	13268	13138	7063	0	0	0	11326	11549	0	22359	16807	13780	12827	5225	0	5220	2485	4643	20042	0	2164	19414	9216	2347	6565	3625	4270	5907	19250	12482	23163	21034	17333	20096	30746	19762	17997	0	18035	9259	8101	10493	3192	3602	12281	1725	4013	10244	5824	7476	19461	23013	9062	19325	10587	15434	0	14901	14344	3573	2897	1978	24314	10261	16383	0	14005	3154	0	9201	4713	Phytochemical	0.29166666	1.2916666	0.041666668
12	C17 H35 O12 N1	446.2232	446.22345	-0.23476484	446.22308	0	0	0	0	0	1631	0	0	0	0	0	1112	0	1178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1244	0	0	1395	0	0	0	0	0	2013	0	0	2314	2269	1144	0	5711	2881	0	0	0	0	1350	1699	0	0	1157	0	0	0	0	2356	0	0	1693	0	0	0	0	0	0	0	0	0	0	1052	1419	0	0	0	1410	1135	0	0	0	918	0	973	0	0	0	0	0	0	0	2221	0	0	0	0	0	0	1425	0	41098	0	0	2874	0	1120	Unclassified	0.7058824	2.0588236	0.05882353
2	C18 H31 O8 N5	446.22455	446.22528	0.11494792	446.22458	2362	3048	2903	2709	428	16138	0	817	304	523	4903	663	0	379	474	0	399	534	0	0	0	1335	0	656	658	0	0	131545	819	0	789	646	2711	650	0	461	1167	560	1267	0	0	0	0	0	0	0	0	0	0	0	4148	3283	1875	0	0	0	0	1034	0	0	373	0	759	0	0	1721	439	790	0	0	0	676	698	553	0	575	0	325	427	324615	0	0	0	0	0	441	923	1675	590	1599	57536	28749	1609	22708	0	0	2150	3257	1012	0	386	0	827	246	0	0	363	0	452	1043	Peptide	0.44444445	1.7222222	0.2777778
4	C18 H31 O8 N5	446.22455	446.22562	0.15589538	446.2246	1001	0	0	1181	0	1128	0	0	0	0	1580	0	0	0	0	0	0	261	0	0	0	0	350	0	0	0	0	15172	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1147	0	0	0	0	0	0	0	0	0	0	233	0	0	0	0	0	0	0	0	0	0	322	0	0	0	0	0	159731	0	0	0	0	0	0	0	0	0	500	35729	11586	0	9898	0	0	770	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.44444445	1.7222222	0.2777778
0	C18 H31 O8 N5	446.22455	446.2252	-0.006747816	446.22455	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19640	2226	0	0	0	4522	3274	0	0	0	0	2302	0	0	0	0	0	0	0	0	0	0	0	3150	0	1716	0	515	0	0	0	0	0	0	0	0	0	2342	2026	0	2160	0	0	0	0	0	0	0	0	0	0	0	38924	0	0	0	0	0	0	0	0	0	0	9790	6018	0	4110	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.44444445	1.7222222	0.2777778
6	C18 H31 O8 N5	446.22455	446.2251	0.04526039	446.22455	0	0	0	0	0	1263	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8648	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	546	849	0	0	0	0	0	0	0	0	1040	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27935	0	0	0	0	0	0	0	0	0	0	17014	8344	1059	3857	0	0	0	1229	553	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.44444445	1.7222222	0.2777778
10	C23 H31 O6 N3	446.22858	446.22916	-0.09952326	446.22852	11679	8742	13377	9879	4329	4047	8152	0	4123	7776	4585	7683	4009	3045	8311	11655	6670	1831	6738	11754	8540	10341	6646	16104	11181	5497	7401	4972	10197	0	9431	11613	15590	9711	9397	7483	16618	9359	6454	10372	8826	3686	0	0	0	10983	6135	0	0	7898	10264	10942	4472	0	3709	8574	5401	17813	0	3344	18607	4545	1796	4556	1958	3572	5305	9707	0	5802	7538	9079	8364	9367	6243	8230	0	5590	12071	7955	6646	2705	4379	8772	1287	2560	11353	5464	7094	17413	18520	10991	21558	5014	13737	0	8413	7155	2053	9685	11782	10037	7080	11467	0	11906	1617	0	9500	2548	Peptide	0.26086956	1.3478261	0.13043478
28	C26 H32 O4 N1 Na1	446.2302	446.23056	-0.24661005	446.23007	1347	1117	826	1457	0	0	4959	3544	0	0	0	1003	0	0	0	0	7944	0	0	0	0	0	0	0	0	0	5986	0	3367	8523	0	5227	3557	1646	0	7254	2460	0	12146	0	0	0	0	0	0	0	0	0	1147	8392	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6904	0	0	0	1644	2561	9500	27277	5440	0	1276	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1389	0	0	0	0	4691	1011	0	0	0	0	0	0	0	Phytochemical	0.15384616	1.2307693	0.038461536
24	C21 H35 O9 N1	446.23846	446.23886	-0.2687861	446.23834	6613	7436	8731	7871	5041	5514	5861	8442	7258	12005	4646	2659	17001	7373	15918	8957	2771	16606	11107	11394	8448	7522	8556	6311	7538	2468	5098	5141	9028	8683	6441	12528	14516	8025	12032	11278	16892	8771	2127	8100	2107	4157	4998	0	0	5265	3432	0	9269	7015	10170	10151	6840	0	24838	10616	6881	10385	11422	3054	7204	4588	18315	8372	10496	13371	4861	1961	1510	8421	2500	10753	9847	11826	3074	7173	0	8696	6268	1492	5501	4519	6777	3699	5472	5104	9511	4626	5936	4683	18024	17487	64011	3721	6001	0	8227	6458	3346	7184	4962	7201	5786	5504	7385	8678	4431	0	2859	17099	Lipid	0.42857143	1.6666666	0.04761905
10	C21 H35 O9 N1	446.23846	446.23904	-0.1664318	446.23837	4116	3560	6868	4056	2268	3029	5927	7277	2328	3146	0	4504	5309	1393	5133	2538	5405	2809	3815	6411	0	4442	5556	4569	4466	2093	4502	33017	8639	5983	6366	7037	8459	5001	3035	7336	8028	4746	4896	1667	1919	2231	0	0	0	3322	1996	0	7130	7039	4398	3766	2525	0	8025	2468	1641	4378	2701	0	0	1795	2357	3360	1457	3400	2452	6941	0	0	1850	5020	4397	8982	4130	7215	0	4588	4308	37056	4026	1908	2291	1510	2967	2993	4733	2319	2111	6837	12811	0	6864	2948	3089	0	3984	4272	3023	3829	4188	6561	3632	7394	0	5270	2118	0	4745	3486	Lipid	0.42857143	1.6666666	0.04761905
8	C20 H35 O8 N3	446.2497	446.2503	0.0756478	446.24973	0	0	0	1096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2598	0	0	0	0	0	776	0	0	1198	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	895	0	0	0	0	0	0	828	797	0	0	0	0	0	0	0	0	0	0	0	0	1090	0	0	0	22220	16209	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.75	0.15
20	C20 H35 O8 N3	446.2497	446.2501	0.22567016	446.2498	0	0	0	1814	0	0	0	0	0	0	4798	863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	239945	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	627	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1971	0	0	0	0	0	0	0	0	0	0	39124	28042	0	0	0	0	0	1707	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.75	0.15
16	C25 H35 O6 N1	446.25372	446.2542	-0.1846242	446.25363	10610	15908	14361	11442	4918	4736	13429	15577	5184	17282	14964	10050	1730	1981	8473	30149	20013	2996	7791	25146	22459	9462	7565	24397	9238	19055	10698	14878	12803	14047	15413	13977	18839	10700	15684	12782	17680	8430	21802	17306	7944	7601	314	0	0	6889	8846	0	15926	13096	10824	13681	4118	0	4762	3564	4385	20135	2287	6085	18233	6188	0	0	3742	4083	4121	22394	12857	18630	25592	12483	9559	17743	17948	13864	0	8557	11262	8119	7060	2335	5212	10125	3353	2686	11604	8134	4949	68055	23782	7727	38110	8971	12753	0	11569	14856	2164	2982	6416	19406	6486	14548	0	15173	4596	0	8830	2801	Lipid	0.24	1.4	0.04
8	C25 H35 O6 N1	446.25372	446.25433	-0.13976526	446.25366	8797	10672	8570	11065	1101	2148	6872	17762	831	11180	6563	7950	794	1855	10141	12528	15422	1771	3364	14596	13147	5701	7544	13991	7563	7063	9530	4437	13960	15003	12716	15051	15752	14427	12664	15272	21997	7946	14423	7577	3466	5270	0	0	0	3473	4615	0	15101	15960	9686	8908	3681	0	964	0	2437	12897	0	0	11372	4465	0	675	1687	0	3888	14963	3136	8566	11171	9502	12809	14930	9574	13354	0	11193	8505	10233	6181	1353	739	7567	0	0	5483	3625	4682	16307	11430	0	17421	6148	12709	0	10191	8138	0	0	0	18716	7127	14326	6521	11683	0	0	6418	1416	Lipid	0.24	1.4	0.04
12	C25 H35 O6 N1	446.25372	446.2543	-0.09400609	446.25366	10726	12221	9120	11344	1917	4820	9161	24659	3385	17830	13311	10949	2309	2206	12004	16582	15635	2074	5225	27878	25502	12705	10171	18617	14798	14872	8752	0	22030	14733	18976	18642	28540	19883	23631	17470	26604	8341	12949	13955	0	6247	0	0	0	8008	6228	0	21730	19543	8652	9680	6324	0	2146	0	2610	18917	0	0	19278	3492	2461	3027	2770	1883	4868	17681	0	24184	18387	15094	12464	19144	12187	17687	0	14461	6826	0	8078	969	1070	11435	2027	1893	7516	5310	8295	52495	26695	3188	38129	3389	15200	0	11612	12397	4283	968	1530	20407	12496	21063	0	19173	1767	0	8207	1520	Lipid	0.24	1.4	0.04
10	C25 H35 O6 N1	446.25372	446.25433	-0.10870523	446.25366	19312	10909	16005	12042	1461	4612	9606	24858	1257	19951	10066	12649	1072	1687	14377	17280	13893	1738	7341	38392	28234	10680	9512	17134	13809	14487	12376	10797	25165	22153	22374	27934	38019	21575	23609	24741	34948	12383	15562	19741	4948	8723	0	0	0	12029	6275	0	29641	19943	16000	16351	3125	0	2711	697	4380	19775	0	0	19143	5348	0	2591	2117	3404	7307	18052	8554	20381	11262	27554	24254	24416	17267	25986	0	15150	9128	6735	7759	807	1782	11854	2027	2299	6488	7795	8545	32783	30186	2981	30955	6756	15616	0	13626	12783	1469	1223	868	32707	11593	33798	0	16574	1338	0	11063	0	Lipid	0.24	1.4	0.04
14	C25 H35 O6 N1	446.25372	446.25424	-0.1468265	446.25366	13995	12210	10153	12317	2344	3746	8941	19619	3422	14778	12300	10271	2022	5446	11056	25815	17565	0	4932	25672	25344	8565	11155	14047	11474	20435	9774	14552	18626	14983	15233	23045	21265	15108	29288	24147	21477	10421	13335	18231	5726	5219	0	0	0	9021	6580	0	17182	14730	14523	11785	3037	0	1866	0	3127	23251	0	0	0	3431	2088	3576	3806	5455	7259	13000	0	29100	24744	14259	13166	15892	16929	12277	0	12286	10863	0	7837	2370	2341	15675	1495	0	8954	6009	5487	48980	24947	3560	31750	11262	17260	0	11854	12744	2737	2528	2698	18271	9641	18256	0	14824	1894	0	9552	1463	Lipid	0.24	1.4	0.04
12	C18 H39 O11 N1	446.25958	446.26028	0.09690252	446.25964	360484	322656	379991	306116	138908	166150	159659	104270	45577	570078	1373258	58942	124294	225140	40979	145223	98066	86571	63240	403164	130885	341459	49540	187579	44095	79776	351050	1357281	72914	73340	46020	40676	53065	41840	76501	75073	51868	41383	57690	793757	878784	137204	350707	47631	62967	1253371	1316079	81726	56363	97985	355912	344034	70632	78619	38925	33054	66021	297520	1685145	385659	2253950	1054541	403296	45115	75176	357777	504725	188214	918252	503444	490968	78554	36552	66757	55566	58751	90089	33780	28647	1713813	35411	81473	46234	30810	47962	66196	31309	130349	75991	165671	576833	277542	200298	538134	474431	48609	374030	521445	59237	24754	57175	94308	35224	462061	16221981	45927	51324	96400	33003	155515	Unclassified	0.6111111	2.1666667	0.055555556
14	C18 H39 O11 N1	446.25958	446.26022	-0.0580145	446.25955	2931	2361	0	2279	3223	1480	0	1908	0	1882	2601	1354	1597	3601	4743	0	0	0	1899	0	2311	0	1968	0	4349	2491	2149	10086	2482	3313	1430	0	1757	0	0	2526	0	3243	0	2061	0	3733	8121	7539	8210	2622	5374	7413	0	3060	2245	0	1483	9112	0	1442	2556	1799	0	0	0	4397	1588	1190	2108	0	0	1280	0	1884	2743	3270	1094	2935	1948	2193	9283	2085	0	0	2335	1525	1757	1896	2602	3705	1492	2561	0	0	2888	0	0	5225	3271	6255	1577	4707	2080	2313	2606	3662	1515	5094	47465	0	3093	7844	1840	1694	Unclassified	0.6111111	2.1666667	0.055555556
10	C18 H39 O11 N1	446.25958	446.26025	-0.120095134	446.25952	19001	12415	12834	12384	1781	1516	25022	2958	2524	18374	24775	2025	2655	1645	2285	1331	14394	2072	1394	3822	4243	4214	2515	2221	2180	5112	95866	41944	1450	2701	0	1790	0	2081	2544	4117	0	2320	12578	5640	113062	1956	7196	4477	4509	14131	184734	4554	1443	2031	12872	12934	835	4884	1853	1419	1665	4970	8024	159620	58597	18048	35033	2274	1748	1655	3286	26482	372117	11526	233344	1343	1904	2441	2208	2109	4561	1297	2804	59898	2889	11921	1680	2213	3786	3390	0	2805	0	58402	14562	8847	1969	30703	5942	3380	13439	17382	3024	2434	2384	2057	1507	12916	75092	0	1248	5137	1480	9904	Unclassified	0.6111111	2.1666667	0.055555556
8	C19 H35 O7 N5	446.26093	446.26135	0.030690648	446.26093	0	991	0	0	0	810	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12822	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	847	0	0	0	0	0	0	0	0	0	0	0	0	84212	0	0	0	0	0	0	0	0	0	0	35012	19711	0	5934	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36842105	1.8421053	0.2631579
0	C19 H35 O7 N5	446.26093	446.2616	-0.12092205	446.26086	0	0	0	0	0	11399	0	0	0	0	1481	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24341	0	0	0	0	1255	0	0	0	0	0	701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1776	0	0	0	0	0	0	0	0	0	0	0	0	0	0	74978	0	0	0	0	0	0	0	0	0	0	97879	18052	0	3262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36842105	1.8421053	0.2631579
2	C19 H35 O7 N5	446.26093	446.2617	0.0674483	446.26096	883	1385	797	1146	0	0	0	0	0	315	2755	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	217556	571	0	0	0	1470	0	0	0	0	0	598	0	0	0	0	0	0	0	0	0	0	0	1797	1395	499	0	0	0	252	0	0	0	0	0	0	0	0	383	0	0	0	0	0	0	0	0	0	0	0	0	422	218482	0	0	0	0	0	493	0	0	0	0	55181	25142	0	14513	0	0	1013	1739	625	0	0	0	377	0	0	0	0	0	0	0	Peptide	0.36842105	1.8421053	0.2631579
26	C22 H39 O8 N1	446.27484	446.27515	-0.124891095	446.27478	3317	0	2859	2669	2347	0	8028	0	0	0	0	0	0	2136	0	0	0	0	0	0	0	0	0	0	0	0	4023	23062	0	0	0	0	0	0	0	0	2860	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2997	0	0	0	2044	0	0	3566	2186	0	0	0	0	0	0	0	0	0	0	0	0	129885	0	0	0	0	0	0	0	0	0	2127	17649	17480	0	10242	6662	0	0	0	0	0	0	0	0	0	13527	0	0	0	0	1918	Lipid	0.36363637	1.7727273	0.045454547
14	C22 H39 O8 N1	446.27484	446.2753	-0.22200471	446.27475	0	0	0	0	0	0	0	0	0	0	1807	0	0	0	0	0	0	0	1705	0	0	0	0	0	0	0	1042	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1698	20913	0	0	2105	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1080	0	0	0	0	0	0	0	0	1753	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.36363637	1.7727273	0.045454547
22	C22 H39 O8 N1	446.27484	446.2752	-0.26859173	446.27472	11301	5728	8266	7409	4108	6108	61975	7651	8128	5916	1675	0	14198	8666	8947	5527	3602	9630	8658	0	2038	4636	5116	5513	7368	4019	41378	7833	12525	5648	4210	9293	12808	7398	2068	8645	11492	5121	5643	0	0	6663	3182	0	0	3673	0	0	7896	6481	10591	5145	5905	0	10899	5640	3562	6430	5814	2479	8091	1415	10839	6311	10340	15851	18666	3982	0	2825	2219	5596	8319	8443	4005	8660	0	4546	4456	4944	1876	1607	52772	25660	6216	7051	5400	3842	6235	1737	19201	11696	8286	0	2057	0	7290	7394	3155	2197	4274	8638	2172	5761	11276	6723	4554	0	3638	10658	Lipid	0.36363637	1.7727273	0.045454547
16	C22 H39 O8 N1	446.27484	446.27512	-0.1292753	446.27478	0	0	0	4356	0	0	14154	0	0	0	0	0	0	3447	0	0	5904	0	0	0	0	0	0	0	3801	0	8844	0	0	0	5460	0	0	4353	0	8394	4794	0	4644	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3159	0	6240	11931	0	0	0	5157	0	0	0	0	0	0	0	0	0	0	7662	0	6015	0	0	0	0	0	0	19454	12909	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4575	0	0	0	25518	0	0	0	4227	0	Lipid	0.36363637	1.7727273	0.045454547
20	C22 H39 O8 N1	446.27484	446.27524	-0.13072321	446.27478	4341	2498	3853	2362	1794	3497	43899	3373	2612	0	0	1163	0	1670	4329	2339	1397	5117	6474	0	0	1684	2909	0	3983	5659	23535	3056	6206	5688	3830	3279	8551	3415	1943	6735	5855	1752	3673	0	0	3897	795	0	0	0	0	0	7436	2390	2576	4081	3001	0	8135	1888	2528	5746	2431	1167	1768	1104	2656	1498	3856	4013	4994	3444	0	0	0	2593	3128	5114	2799	2045	0	3303	2835	1690	2327	0	47017	22054	2481	1470	4442	2291	2534	3084	9867	6848	2879	0	0	0	2755	5175	1808	2711	2319	5752	1586	2949	2691	0	2024	0	4558	2860	Lipid	0.36363637	1.7727273	0.045454547
12	C26 H39 O5 N1	446.2901	446.29062	-0.064138696	446.29007	4369	4763	4627	6312	0	1144	2203	9052	0	1500	0	4664	0	0	4964	7387	0	0	1703	2193	3761	0	4024	8150	6771	1124	3029	0	12113	8498	6814	7427	13988	5138	1867	7762	14151	3026	1734	1191	0	1372	0	0	0	2938	0	0	8266	5993	6936	4479	0	0	0	0	0	11952	0	0	0	0	0	0	0	0	1731	5027	0	0	0	8537	7344	10173	6108	5216	0	4964	0	0	1830	0	0	1350	0	0	2320	2837	2421	63951	7522	0	105792	0	6803	0	4399	3537	0	0	0	16139	4157	0	0	28595	0	0	1690	0	Lipid	0.1923077	1.5	0.038461536
22	C26 H39 O5 N1	446.2901	446.29053	-0.25088263	446.28998	9725	7733	6566	4068	9234	5047	8637	9044	4199	3922	6954	7138	2537	0	4819	13789	17509	3714	6447	6536	11446	7700	3272	8872	7749	19630	7858	9745	8233	13574	6818	9649	6744	9770	5223	12856	6970	8329	16849	5928	11134	5068	0	0	0	3931	8058	0	11680	14062	8521	8174	5250	0	4497	6924	3939	12754	4252	11047	15731	2185	3119	2429	1776	5053	5793	17193	15354	9406	15345	5423	13748	10660	12064	12148	0	4784	6297	9101	5273	1866	4486	6798	5834	2638	9352	4841	6628	24372	12262	11033	10077	7229	9791	0	6044	8400	4750	9178	8254	12178	6711	11425	0	8678	6093	0	10049	3865	Lipid	0.1923077	1.5	0.038461536
14	C26 H39 O5 N1	446.2901	446.2906	-0.11187175	446.29004	1864	4420	2027	0	0	0	3912	6229	0	2605	0	2445	0	0	2730	7730	20113	0	0	4281	2098	0	1704	6115	6308	0	2870	0	8388	9071	6668	12005	8739	7897	0	8834	7155	1884	1322	0	0	1099	0	0	0	0	0	0	11213	5549	0	2477	0	0	0	0	0	6522	0	0	0	0	0	0	0	0	2002	6478	0	3712	0	6341	13060	10674	5326	8329	0	5762	0	0	0	0	0	1505	0	0	1696	0	2171	15261	5253	0	20278	0	2822	0	0	2668	0	0	0	13335	5081	0	0	12331	0	0	1901	0	Lipid	0.1923077	1.5	0.038461536
16	C26 H39 O5 N1	446.2901	446.29062	-0.07810998	446.29007	2551	5421	3742	4718	0	0	2240	5199	0	2432	2992	3567	0	0	5094	6483	16560	0	0	6909	2195	0	1420	3563	5580	0	10367	3162	10124	4563	10104	7374	41180	5569	0	8677	26001	0	15642	1491	0	0	0	0	0	0	0	0	9249	4575	5854	4476	1259	0	0	0	0	4450	0	0	0	0	0	0	0	0	1406	45666	0	0	2323	5064	6331	5809	4867	4771	0	5349	0	0	0	0	0	1462	0	0	0	0	1146	0	14353	2721	74176	0	3626	0	3469	2939	0	0	0	47684	1679	0	0	20744	0	0	0	0	Lipid	0.1923077	1.5	0.038461536
10	C26 H39 O5 N1	446.2901	446.29053	-0.17734647	446.29	7480	7675	5955	8332	0	0	1806	1979	0	0	0	1962	0	0	2200	5898	17319	0	0	2380	0	3894	2098	3785	1245	0	1671	0	5355	4070	2475	4952	18121	4951	1707	4787	15437	758	16517	1308	0	0	0	0	0	0	0	0	4220	4482	5789	6328	0	0	0	0	0	5644	0	0	0	0	0	0	0	0	0	25115	0	0	0	3033	2362	4808	4527	2778	0	2040	1177	0	0	0	0	0	0	0	0	0	1127	476995	3152	0	128175	0	0	0	6358	7094	0	0	0	23271	1240	0	0	25869	0	0	1401	0	Lipid	0.1923077	1.5	0.038461536
4	C26 H39 O5 N1	446.2901	446.29077	-0.10920322	446.29004	3307	2351	2518	2176	0	0	1960	0	0	0	0	388	0	0	0	989	111148	0	0	0	0	0	0	2471	268	0	2473	0	0	0	0	0	34802	0	0	565	25128	0	134590	0	0	0	0	0	0	0	0	0	0	0	2181	2042	0	0	0	0	0	635	0	0	704	0	0	0	0	0	0	75923	0	0	0	267	0	0	0	325	0	259	0	0	0	0	0	0	0	0	0	0	0	472	0	0	437	0	0	0	2003	3579	0	0	0	42555	0	0	0	487	0	0	0	0	Lipid	0.1923077	1.5	0.038461536
26	C23 H43 O7 N1	446.31122	446.31122	-0.18715562	446.31116	0	0	0	0	0	0	52214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23495	8171	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5278	0	0	0	0	0	6408	1677	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6855	3983	0	0	0	0	0	0	15220	11085	0	0	0	0	0	0	0	0	0	0	0	0	17491	0	0	0	0	0	Lipid	0.3043478	1.8695652	0.04347826
24	C23 H43 O7 N1	446.31122	446.31134	-0.17503011	446.31116	0	0	1040	0	866	1055	50845	0	0	0	1374	0	0	3847	0	0	0	0	0	0	0	0	0	0	0	0	27006	0	0	0	0	0	1794	0	0	0	0	803	0	0	0	0	0	0	0	0	0	0	1191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1574	1494	1811	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11545	6940	0	0	0	0	0	0	9061	9014	0	0	0	0	0	1234	0	0	0	1290	0	0	10423	0	0	0	0	1419	Lipid	0.3043478	1.8695652	0.04347826
24	C20 H14 O12	447.05582	447.05634	0.041201357	447.05582	8325	6911	7939	7253	21846	7112	1629	0	19781	1754	0	2281	37383	8481	2287	0	0	28562	16986	3004	2499	8256	6184	1577	1516	0	0	0	0	0	0	0	1311	0	5929	0	2351	3409	1161	0	1841	1827	0	0	0	4062	5841	0	1223	0	5753	6232	12014	0	31106	19103	5298	0	1239	1152	0	1593	40085	24651	5182	24344	3588	0	1425	1400	3459	0	0	0	0	0	0	1739	12494	4023	11205	3710	0	0	30976	12396	6647	4197	4119	2281	1658	1533	1568	8787	7480	0	6791	7907	10272	27197	25906	1619	1179	1381	3735	1496	17826	0	2317	37929	Phytochemical	0.6	0.7	0.0
28	C20 H14 O12	447.05582	447.05627	-0.01748211	447.0558	8428	8980	5344	9123	19300	10203	2637	0	18889	3899	0	2587	44641	11820	5001	2764	0	27127	23692	2939	5339	6040	9120	2691	3838	0	1490	0	0	0	1910	0	2450	0	6615	0	2092	3584	1183	0	5231	4245	0	0	0	3100	3572	1659	0	0	9752	6634	11475	0	24507	15977	6367	1635	1131	1390	0	2683	41367	20274	5780	21934	5819	2343	0	1335	2243	0	0	0	0	998	0	2649	15007	3890	12557	2152	1322	0	31337	9116	9792	4459	5833	1274	950	2141	2622	5507	10881	0	9582	6980	13395	18652	21797	2422	1472	0	3029	1976	15337	0	2333	33810	Phytochemical	0.6	0.7	0.0
22	C20 H14 O12	447.05582	447.0564	0.03155763	447.05582	6087	6438	6779	7186	25249	7468	1741	0	20172	4498	2876	2792	46812	12445	4148	1739	0	34744	23414	4237	2988	13346	6020	2660	1512	0	2700	0	0	0	0	0	2968	0	4335	0	1819	4392	0	2786	5329	2905	0	0	619	3875	8893	0	0	0	8606	5671	14678	307	26361	26322	12611	0	1838	1894	0	2519	59186	26545	6600	26703	5244	0	0	2510	3307	0	0	0	0	0	1254	3313	15703	9055	10194	4406	0	0	40175	19979	9986	4551	3767	2381	0	0	1941	12767	15601	0	8910	5762	17938	32493	35251	1892	2636	1240	6341	0	25375	0	2357	40928	Phytochemical	0.6	0.7	0.0
12	C20 H14 O12	447.05582	447.05652	0.05706204	447.05582	5502	3958	2175	5021	15049	1311	0	0	14109	3547	6165	1772	16839	1885	1456	0	0	6404	8686	3039	3577	12079	2639	0	0	0	0	0	0	0	0	0	1623	0	5309	0	0	0	0	0	6140	3400	0	0	0	1475	9665	0	0	0	4960	4709	4983	0	12045	12569	5324	0	0	0	0	0	32262	14397	3990	14508	1995	0	0	0	0	0	0	0	0	0	0	1154	2523	0	4176	1962	0	0	18189	4039	3280	4117	2651	0	0	0	2576	19109	6213	0	5539	0	15987	23739	19048	0	934	0	0	0	12008	0	0	25729	Phytochemical	0.6	0.7	0.0
20	C20 H14 O12	447.05582	447.0564	0.056734473	447.05582	9662	11786	8361	6868	36135	18061	1832	0	29596	4432	3993	0	65675	12053	5009	1796	1962	32135	27657	0	12584	20087	10494	2585	1748	1329	1368	1595	0	0	0	0	2054	0	8471	0	1715	3035	1805	2731	4737	5121	1012	0	393	4299	20215	2209	0	0	6839	16272	13781	0	29904	32502	14950	2381	1938	2531	1524	4175	57000	37365	11361	36499	5771	1909	3937	0	2327	0	0	0	0	0	610	3013	16320	16470	8124	7419	1110	0	48271	18806	11373	6956	11287	5657	0	0	2735	29199	11750	0	7095	7598	25191	44843	39099	1712	2108	1414	10174	2898	28150	648	2414	55342	Phytochemical	0.6	0.7	0.0
26	C20 H14 O12	447.05582	447.05643	-0.00902429	447.0558	4729	7619	6944	7241	15992	8834	0	0	20162	2872	0	0	43214	9145	0	0	0	31073	22984	0	0	11143	5406	0	0	0	0	0	0	0	0	0	0	0	4111	0	0	0	0	0	2812	0	0	0	0	0	0	0	0	0	7438	7252	11041	0	30614	19086	5652	1734	0	0	0	2796	42971	22736	5028	23844	4620	0	0	0	1533	0	0	0	0	0	0	0	12300	0	10155	0	0	0	29242	8914	8559	4469	3584	1366	0	0	0	5887	6712	0	4324	8337	12733	20560	26998	0	0	0	0	1716	13947	0	0	41763	Phytochemical	0.6	0.7	0.0
16	C20 H14 O12	447.05582	447.05643	-0.040747903	447.0558	17860	12292	12029	9249	40318	13735	1214	0	48805	9716	8529	4904	65582	11362	3522	1676	2388	30242	36583	2760	15306	27369	8964	1583	0	0	0	0	0	0	0	0	3957	0	10614	0	2548	3922	2888	3429	12914	5879	761	0	0	3960	24962	856	0	0	11768	11245	20944	0	28601	31542	13251	3641	2049	2336	0	11790	76407	42372	11298	53131	11698	2048	2494	0	3236	0	0	0	2853	0	0	2008	14286	22587	10229	11676	0	0	49023	17721	10747	12121	9226	0	0	4955	0	40695	16321	0	10907	8631	32555	59284	47507	2655	3103	3135	14224	0	31359	0	2062	72256	Phytochemical	0.6	0.7	0.0
18	C20 H14 O12	447.05582	447.05643	0.01870664	447.05582	9718	12364	9810	10209	38198	11600	2926	0	42967	9285	6712	4180	71972	14032	2994	0	2229	41453	32578	8188	8943	31817	8507	1883	2107	1453	0	0	0	0	1616	0	2939	0	10036	0	6520	5506	1717	4332	7280	7794	1237	0	0	4172	21373	1148	1839	1573	11378	14715	22120	0	42525	40828	16870	2368	1531	3233	2818	7733	75510	43916	12188	49078	11099	2006	2693	0	3718	1470	0	0	0	0	390	1522	17244	18784	14059	13292	0	0	58575	17316	15026	9689	11581	3793	0	2095	3468	32010	21089	0	9696	11386	38441	54874	51689	2642	2565	0	11170	4509	23140	0	1838	56261	Phytochemical	0.6	0.7	0.0
14	C20 H14 O12	447.05582	447.0565	0.011107409	447.05582	27100	21916	15902	17788	48244	22842	0	0	57292	23560	18698	8072	88493	18122	3238	0	0	47019	32974	6188	21026	50414	13410	0	0	0	0	0	0	0	0	0	7360	0	29960	0	8344	6890	0	5860	16738	9780	0	0	0	6972	51932	816	0	0	18742	17466	27756	0	46832	51644	22462	8580	0	0	0	7862	123300	63144	23640	68924	15904	3608	0	0	7630	0	0	0	0	0	0	4096	22728	0	16728	20534	0	2368	64638	19898	15376	22904	13316	0	0	4198	4364	87520	25212	0	22726	10402	51784	94016	78018	5768	5104	0	0	5310	53390	0	2814	74262	Phytochemical	0.6	0.7	0.0
12	C20 H18 O8 N2 S1	447.08566	447.08655	0.17813693	447.08575	120808	121474	104482	110924	131024	61806	25098	27212	155367	227990	184246	41688	159618	48636	52070	43224	31074	123260	139686	145940	195329	262238	74710	48608	16412	49559	38386	72752	22264	21322	29954	27486	37420	25824	293859	16306	39744	48190	36672	121342	176653	45796	1800	0	0	127448	312536	0	32648	25050	107466	116398	72734	0	140938	108013	60762	45398	49360	33500	0	118698	238322	118869	57336	158542	52606	53880	132052	91728	141247	29894	22504	19128	43620	28108	0	34550	78858	132178	74522	136466	14662	36457	157442	65314	83768	50926	57766	60706	24884	42266	47202	264384	212467	0	120944	112746	148254	146669	135347	39908	32840	42938	123472	36648	110530	0	31480	209836	Organosulfur	0.4	0.9	0.1
24	C21 H18 O11	447.0922	447.09268	0.018665936	447.0922	13904	16070	12759	17978	28149	17193	2507	1792	30270	26658	8512	3154	56143	14910	8020	2334	1292	39604	27223	17337	22768	29783	9566	3259	3861	6933	2798	6158	1886	1080	1885	1451	3822	1070	28021	1282	5787	5803	1573	6629	9011	4445	0	0	0	15703	20061	0	1586	0	13124	11772	16387	0	41081	27476	9638	2165	3874	2736	5272	9891	54362	30421	6042	27059	8179	0	9657	13249	12324	1649	1261	0	2007	1178	0	4032	17978	17816	15968	18846	2193	6572	36596	19949	11601	4830	5969	1743	0	7332	7812	28332	42357	0	13246	13959	16621	30961	33306	2085	3340	3152	17150	3123	20912	0	2813	52782	Phytochemical	0.52380955	0.85714287	0.0
20	C21 H18 O11	447.0922	447.09268	-0.11223143	447.09213	50154	56489	45339	51066	89955	55098	8404	11380	108731	109588	48413	12407	156647	49881	24728	15726	4984	98787	98776	63538	77371	108937	26620	17123	17859	26992	10640	26451	7577	6298	9605	8837	21630	6978	154719	8089	22546	18538	9686	75203	52513	24862	2773	0	790	77236	109266	1949	12155	5648	48285	53102	61274	500	108481	84541	34590	16606	27178	8958	12006	39250	156063	84804	33500	124279	32129	11294	27249	45477	40861	9404	7976	5351	6755	4604	772	17066	52882	86337	45514	77349	11500	30579	104615	49400	35785	36079	26146	25573	21871	32652	25299	110215	125813	563	55645	54253	70530	89814	89749	12350	11896	16216	70066	16609	75055	0	14747	172208	Phytochemical	0.52380955	0.85714287	0.0
28	C21 H18 O11	447.0922	447.09265	-0.080781706	447.09216	8060	8503	8862	9338	14568	10260	2602	0	14232	14714	3663	2764	26808	9209	4548	2576	0	23460	18643	9340	10362	12709	7399	4470	3071	4061	1334	3327	0	0	1857	1069	3700	1418	19277	0	2765	4534	1564	4881	5892	2929	0	0	0	6742	8906	0	1741	0	9839	6895	10189	0	18887	12504	4821	3576	2482	0	3755	4747	28236	14591	4563	19684	5810	2264	5797	11169	8968	1356	1125	0	0	1185	0	1853	13227	8563	8234	5821	3025	4130	21385	9320	8845	3227	4071	1953	2579	5120	4507	10787	17221	0	8146	7870	10674	11926	15059	2926	1901	2362	5498	3224	11691	0	3027	25890	Phytochemical	0.52380955	0.85714287	0.0
18	C21 H18 O11	447.0922	447.09274	-0.07040708	447.09216	94041	90408	81406	75216	125908	79763	25209	21253	126983	211555	90006	23580	249286	66638	40662	26004	15074	165385	154288	120601	126792	179449	54582	37023	29058	41412	21143	51993	19421	14746	21051	11099	35492	15977	232625	14299	38049	42104	17467	93397	75881	41517	3540	0	581	117020	141793	1036	18601	18579	83640	86944	76835	721	165058	125000	52148	32634	34059	19810	30281	78840	244957	124375	45342	165807	62630	17813	59116	69780	81120	16913	11258	10682	12608	20398	810	25283	75329	96018	59213	137374	18921	43069	153252	78356	58007	39571	54459	25233	39424	56730	44440	163459	186736	997	86580	79612	115469	128482	115899	29371	22781	25486	80959	33452	104428	518	26852	197408	Phytochemical	0.52380955	0.85714287	0.0
10	C21 H18 O11	447.0922	447.09286	-0.016212603	447.0922	28690	24333	17195	21464	30797	14980	6387	5422	34308	56772	42799	8641	39798	12152	8454	10897	8446	26863	29789	37028	43577	45099	15910	10354	2589	12387	8402	12205	5101	3235	5398	7244	8948	4956	71212	4733	9809	10291	12851	22671	44233	10174	0	0	0	23400	56153	0	6013	5379	21740	24944	20150	0	34641	31754	13435	6527	7341	13157	11573	19587	48611	28907	13786	36624	15223	10072	27464	19301	44699	4567	7296	3216	8351	4602	0	6124	22313	19637	15746	27975	3606	9047	44632	13996	17395	15576	12202	11933	4633	7443	12106	46202	44395	0	21116	22633	37898	43145	36721	8707	7607	6625	28949	10202	31714	0	6316	42237	Phytochemical	0.52380955	0.85714287	0.0
8	C21 H18 O11	447.0922	447.09293	-0.04852669	447.09216	8501	8877	4780	7567	10490	3754	0	3309	14196	23039	20191	2706	15477	4564	2256	3814	2940	9810	13336	10298	18292	9708	4180	2821	0	2667	1965	5315	989	3040	1943	2485	2133	1946	29302	1175	1511	3544	3672	6151	15005	4533	0	0	0	8969	17330	0	1390	1726	4817	11099	6866	0	11038	11861	6945	2345	1799	4448	0	6018	25054	15266	4946	11148	5138	4816	10975	8862	19322	2779	1512	1269	3857	1813	0	1698	7981	5961	6534	6942	1006	2037	15252	5211	6065	5093	6295	6835	0	0	2485	13721	10897	0	5989	8641	16258	19823	15729	3884	3378	3266	0	3140	11293	0	1126	21547	Phytochemical	0.52380955	0.85714287	0.0
22	C21 H18 O11	447.0922	447.09274	-0.020305758	447.0922	28582	25845	27228	23414	48790	31427	6787	4319	53982	45441	14573	5253	76380	21881	12355	4490	2240	71369	43147	30628	31861	54780	17256	8894	6796	12873	4162	7375	3323	3245	2355	4321	6698	3889	58869	4363	9151	12708	4834	19517	21653	11152	0	0	518	41717	51938	0	6214	3456	22342	29805	25929	755	63275	47237	21404	8686	7468	3670	6459	16739	89023	51708	16674	51395	17817	3215	21028	20583	24612	4417	5038	0	1882	2539	770	7745	30222	33227	25128	38016	4664	13134	58207	35111	24074	8061	14579	5982	13256	20144	15183	55836	77539	0	28522	23068	36779	60862	45269	2791	6299	4822	32146	6482	44724	0	11800	91638	Phytochemical	0.52380955	0.85714287	0.0
14	C21 H18 O11	447.0922	447.0928	-0.049920175	447.09216	72280	91876	75346	71996	106649	61414	21826	22221	129282	213588	155096	26805	161325	54537	36486	33626	22363	120341	129300	121807	148295	209562	50034	32674	17876	42387	22679	73625	13788	13759	21945	22391	39764	18862	282817	16616	29452	37254	26602	90877	107510	38990	0	0	0	120682	216267	734	21307	17270	76097	74785	72204	293	125148	92696	55205	37965	30086	27778	37124	75901	196564	119529	44085	116606	57412	29044	86005	81866	105357	17200	19380	8724	18668	21827	268	26487	69605	128005	56334	115075	20174	35788	117610	56994	64977	48247	54224	46687	33132	43339	48284	203269	167175	0	82280	77587	112799	126308	117317	39926	30112	31803	146903	36240	87742	0	22568	149639	Phytochemical	0.52380955	0.85714287	0.0
26	C21 H18 O11	447.0922	447.09268	-0.040499516	447.09216	9980	10547	11408	10154	18947	10180	0	0	26033	21901	2471	0	44557	7652	0	0	0	31534	20482	10544	11942	22077	6688	0	0	0	1884	2074	0	0	0	0	2448	0	19414	0	3469	5972	0	5225	5681	0	0	0	0	10758	14001	0	0	0	9989	8877	11404	0	26414	21031	5870	2818	0	0	0	6162	34433	19760	6426	26421	4313	0	6542	9108	8833	0	0	0	0	0	0	0	12747	10538	10593	9488	0	4955	25542	12872	9887	4069	5386	0	2721	5593	0	15328	23774	0	10358	11287	13231	22265	23655	0	0	0	10952	2306	13387	0	3221	33068	Phytochemical	0.52380955	0.85714287	0.0
12	C21 H18 O11	447.0922	447.0928	-0.082695656	447.09216	60404	60737	52241	55462	65512	30287	12549	13606	76958	113995	92123	20844	79809	24318	26035	21612	15537	61630	68879	72970	96803	131119	37355	24304	8206	24006	19193	36376	11132	10661	14977	13743	18710	12912	145513	8153	19872	24095	18336	59292	85239	22898	900	0	0	62674	156268	0	16324	12525	53733	58199	36367	0	70469	53525	30381	22699	24680	16750	0	59349	119161	58458	28668	78347	26303	26940	66026	44756	69175	14947	11252	9564	21810	14054	0	17275	39429	66089	37261	67437	7331	17543	78721	32657	41884	25463	28883	30353	12442	21133	23601	132192	105100	0	60472	56373	74127	72470	67228	19954	16420	21469	61736	18324	55265	0	15740	103488	Phytochemical	0.52380955	0.85714287	0.0
16	C21 H18 O11	447.0922	447.09277	-0.042579714	447.09216	105089	97103	96830	97133	135326	79787	23430	24967	170761	251089	131377	30433	254994	66521	44316	30439	22164	182631	184715	160709	194843	231298	55978	32957	23622	52317	29435	73860	19898	17252	29213	23011	47216	20472	348150	17974	43421	48146	35298	126979	119771	39713	2947	417	519	139021	206946	951	23946	23848	91762	98705	97492	588	149722	118500	64763	41399	40494	31108	38092	103350	264806	140074	55596	177447	69398	21383	92655	90777	107560	25422	21632	11628	17751	21123	0	32126	86583	154704	70429	154977	20157	64743	157991	70628	68260	43921	58125	39710	30306	64039	51914	226670	230887	832	93164	86458	133617	146015	135258	39889	22142	33774	125800	43037	112138	664	33881	240575	Phytochemical	0.52380955	0.85714287	0.0
12	C20 H18 O10 N2	447.10342	447.10406	-0.023138316	447.10342	25176	21645	19364	20387	22287	11096	9615	9455	30011	49497	31908	9519	46105	10483	7887	9804	13835	24642	35618	34127	57131	70458	11893	13465	4546	9826	5148	15986	3054	4476	5867	6791	14641	3732	86190	3502	9224	8882	15072	46530	84811	10908	0	0	0	59121	124462	0	8474	5860	22723	21066	16309	0	40413	28266	12493	11028	8943	11691	0	47015	61963	32885	8730	34134	11517	14922	25003	22540	42208	7243	4363	3118	6932	5388	0	6971	14728	33595	12798	46198	5059	16366	32592	11040	18770	11643	13836	28332	5382	13102	20448	73322	37570	0	22479	21722	22375	30366	28396	8763	9324	7086	70862	12775	22106	0	9646	49797	Phytochemical	0.5	0.9	0.1
10	C20 H18 O10 N2	447.10342	447.10406	-0.06083881	447.1034	17946	17791	14323	15766	18648	8783	3289	4145	25832	40312	27206	5052	37986	5539	6169	5653	5545	22532	18837	19362	36903	50850	7986	6549	1767	3976	4988	9315	2026	3290	3735	3255	9393	4334	57380	3389	8953	5836	8139	29134	54020	7938	0	0	0	30981	78346	0	2983	2527	18621	13334	10274	0	28021	19812	8905	4876	5135	8905	0	23495	49120	27294	7493	23235	8618	12886	23392	12894	26503	4245	3049	2792	4311	3009	0	3757	10419	18365	8972	24914	3891	9398	25138	10744	9175	8469	9454	20347	0	9426	15295	49005	35735	0	18907	13273	12540	24181	19342	11165	5456	5841	43730	7338	12547	0	3657	44775	Phytochemical	0.5	0.9	0.1
14	C20 H18 O10 N2	447.10342	447.10403	-0.03389193	447.1034	31645	25755	30042	28493	31545	14815	5013	7669	36061	65290	36423	5212	110886	9852	6557	7007	9157	32221	32466	38597	75212	92285	15689	9676	6530	10425	7684	16823	5888	6404	7135	0	17842	6876	84288	4887	9707	10701	14411	52173	87145	14182	0	0	0	57046	96119	0	6588	4974	22728	24724	18271	0	42565	24944	12489	17284	12794	13104	0	55702	67483	34868	12282	37391	14772	17120	23016	19964	39522	5579	4906	3911	7851	5999	0	10244	18325	50545	13109	55780	4604	22833	41405	13216	20635	15420	14416	32314	15368	15658	28060	88505	62818	0	26875	26862	20296	35315	30199	9935	7572	14843	60788	14600	22429	0	5738	55619	Phytochemical	0.5	0.9	0.1
8	C20 H18 O10 N2	447.10342	447.10413	-0.03825577	447.1034	8984	8666	4739	7188	9202	3162	1089	1904	13771	17079	11870	2724	18972	4483	2238	2996	2048	9886	11107	12181	25191	21880	3586	2581	831	2187	1155	3494	1893	990	1217	1558	3933	2253	26905	1365	3472	2385	4043	14509	26997	3660	0	0	0	17790	37692	0	2092	2317	7677	5390	5944	0	12286	12095	3117	5499	1944	3293	0	9098	27456	12078	4576	14146	2879	3453	6531	6155	14808	2031	1606	1653	1959	1184	0	1630	4032	8453	4528	11770	1167	4166	13657	0	3836	3173	5011	8008	0	0	5969	23663	18342	0	6883	9261	10493	16661	12798	3156	1944	2876	12108	2641	7362	0	1712	17793	Phytochemical	0.5	0.9	0.1
18	C20 H18 O10 N2	447.10342	447.10397	-0.06156735	447.1034	14351	11804	13877	11394	19273	8640	5954	4220	20202	39872	17340	3194	28147	7194	5366	4590	5090	20825	19979	14375	31003	55473	10007	7255	4092	4243	3508	4496	5964	3205	3196	6779	9137	0	41295	2903	6596	5804	7961	28149	32284	6207	846	0	0	32056	62440	0	5022	2652	13812	15852	11206	0	19295	14782	7816	5916	5801	8171	7953	26990	41737	20288	7093	18663	8981	6435	10337	12098	16629	2043	1752	2374	4232	5299	0	4963	9610	33861	6565	35477	2152	15946	16848	10445	11025	7847	8631	9948	8809	10585	10906	43046	43498	0	12955	17096	12568	21130	16830	6326	3789	6834	62922	7800	12154	0	6851	30928	Phytochemical	0.5	0.9	0.1
20	C20 H18 O10 N2	447.10342	447.1039	-0.13688797	447.10336	40918	29533	28111	27564	26999	19172	10715	8527	37100	89550	72777	12742	29022	19728	13624	13886	3342	38188	28141	45035	64075	86005	14009	8978	0	88239	10606	53528	3790	0	8705	0	7374	2954	100136	3764	7708	10428	15077	48025	58293	15263	0	0	0	60563	95675	0	2948	9327	35937	33540	24745	0	34611	26646	14238	10884	3678	8245	17085	46033	57809	28936	15321	36899	21852	11176	104379	101315	143333	1321	3304	0	0	0	0	8758	22476	68228	18486	62627	9843	31053	34440	20020	31571	22317	22231	31742	13507	23988	24232	88387	93303	0	34137	24271	26596	23323	37342	17447	10845	8260	58674	7196	25213	0	9695	58368	Phytochemical	0.5	0.9	0.1
16	C20 H18 O10 N2	447.10342	447.104	-0.021005647	447.10342	17546	22261	20046	25146	24465	17302	4447	3953	30693	49701	27282	5016	47914	8777	9712	10883	7564	36448	29592	26642	48908	69307	13478	13312	5105	7227	7220	13332	5783	5192	8688	3939	11981	3606	67547	4430	13047	9411	8499	48850	57867	13340	677	0	0	51619	89322	0	5600	4562	21787	23690	17309	0	25312	28615	9764	11455	10480	9074	0	40654	59663	28145	11354	29454	11558	10724	17778	22289	27261	4311	2620	1717	5643	3694	0	4988	18317	42362	10384	42716	6063	21311	27931	12241	13975	13490	12289	0	9150	21814	0	66427	59524	0	21375	22729	19335	25214	22828	10644	7285	8955	51768	0	19583	0	9535	54796	Phytochemical	0.5	0.9	0.1
8	C12 H27 O12 N2 S1 Na1	447.12552	447.12643	-0.46377993	447.1253	0	7278	2462	10178	7558	2380	2314	3292	6706	8716	5328	4614	9388	0	4062	4906	7278	5328	6970	6732	15824	13688	2153	7084	1320	5278	2897	0	4542	1590	4614	3628	7316	1828	8736	4768	9910	2868	10652	4582	10491	4804	0	0	0	0	8010	0	3186	4280	4936	8656	4090	0	12672	6424	5848	0	0	0	0	5818	10980	9342	0	6286	0	10322	0	5242	10202	0	6523	929	20583	3304	0	2310	0	0	3310	5152	1420	5616	5532	0	4648	4846	4936	6862	0	0	13820	5798	10086	0	5528	4540	0	6192	0	5482	1698	0	0	7086	5276	0	3012	13456	Organosulfur	1.0	2.25	0.16666667
20	C22 H22 O10	447.12857	447.1291	-0.08955749	447.12854	161022	159153	155477	139484	183493	142934	51686	74528	221839	481731	176191	50807	318018	123829	84796	80620	36267	232820	239745	329590	321010	250413	100289	81424	79296	225466	53008	122285	65924	54437	63144	60657	88130	59060	546290	52152	94448	70546	43814	226693	154221	69588	6719	903	786	241995	256003	2341	76134	54120	165700	159895	130931	1436	224375	143792	83031	82819	80365	36867	71541	150517	300167	187896	95472	217374	109209	44517	197268	358504	282416	71139	61085	47989	37533	54358	1380	60851	132453	130636	103017	191670	59072	154471	201771	103122	105794	68558	87632	53279	102143	119864	113229	173794	232290	1368	170827	152218	178522	167162	161426	78087	54467	86891	194304	75162	159090	1603	64962	324257	Phytochemical	0.45454547	1.0	0.0
28	C22 H22 O10	447.12857	447.12906	-0.102737784	447.12854	10680	8869	10191	9425	12976	9053	4059	3823	12787	28817	7748	2513	29297	7581	5912	4816	2760	18681	15583	21192	21163	16264	7554	5185	3334	11486	4084	5871	2975	2846	4640	2444	3209	4540	28424	0	6012	3621	1835	10551	10975	3488	0	0	0	12653	14342	0	3548	3070	11740	8985	9729	0	16862	15698	4938	4151	5501	2223	6685	7584	29507	10712	5870	18476	5655	2061	13713	27494	21500	2035	2727	0	2644	3369	0	2787	11592	12689	10453	11045	3376	8126	19317	7870	6876	4797	4872	3743	5524	6806	4543	11575	19493	0	10917	10745	12462	13679	14607	3793	3156	4118	7279	3452	10921	0	3622	25168	Phytochemical	0.45454547	1.0	0.0
14	C22 H22 O10	447.12857	447.12918	-0.037576128	447.12857	219927	227140	205622	216023	164526	128807	112195	147440	193405	1204748	348658	102193	220941	85723	123061	147373	104490	208495	207406	428244	827140	340014	138215	166043	91522	284303	104583	249181	110091	123765	123910	154599	145923	112943	1455244	114589	144367	109820	121817	614482	300513	95971	4277	623	515	643456	440417	500	142718	134796	233886	190232	128471	807	196571	138649	86843	160375	160323	129344	179448	453626	254055	199136	80185	186910	112345	112780	313615	817098	859690	129853	120828	109814	78611	123948	491	96427	167518	250112	142231	601202	110742	416352	183598	121915	137305	99141	116590	134895	142635	146419	160590	248957	578428	1491	211982	199203	172165	158660	157337	130684	104439	183885	355797	118212	150703	531	99079	228139	Phytochemical	0.45454547	1.0	0.0
8	C22 H22 O10	447.12857	447.1293	-0.016956242	447.12857	15920	18091	13074	16728	13278	7681	9179	9054	16435	79528	25599	10488	10942	6027	8039	15875	16415	10079	15075	31071	63092	24443	11795	17270	5534	18052	10333	13033	9436	11162	9636	13607	14923	8458	50990	12401	12079	10023	19412	19007	69004	7219	0	0	0	22912	33081	0	13448	12812	17221	20504	8101	0	15713	10405	9159	12380	10427	15088	11768	14898	17499	13681	5990	12547	9162	15360	25792	27341	45059	11980	14724	9885	8106	12158	0	7897	13950	8818	13127	15079	10842	11412	15109	7654	11376	6620	9060	17463	0	11142	14452	23695	21059	0	14935	20072	16273	15115	15971	11425	7661	15718	12328	12074	11799	0	8959	15450	Phytochemical	0.45454547	1.0	0.0
16	C22 H22 O10	447.12857	447.12915	-0.03446261	447.12857	570926	587286	549386	553510	508112	382646	229322	352188	598700	3144475	750771	229187	665880	281991	304854	312552	200022	638612	647283	1113070	1059182	1598079	361553	342817	265739	725894	208587	509968	293420	259403	310455	340436	369126	254582	3877737	264343	362972	276033	255208	1628853	643860	224638	15355	2064	1584	1719922	1805428	2236	351277	245170	520490	563888	377675	2316	558440	427295	246668	360434	358270	218348	361098	523349	784082	475970	225220	557281	323783	208689	717826	1171456	2127428	303886	300101	257080	210106	285822	1884	236110	419682	521938	335640	796689	240011	574170	539391	286302	368473	234976	272440	338282	358555	400265	517934	648172	1751266	3938	541460	540889	506480	425392	429437	306739	216825	332512	632386	302572	437752	1622	269310	780956	Phytochemical	0.45454547	1.0	0.0
26	C22 H22 O10	447.12857	447.12903	-0.061251335	447.12854	14784	14594	13481	12787	24714	14739	3081	0	29326	50058	11820	3992	49107	18047	7524	6933	0	30268	33044	33252	38150	25083	13721	7953	6738	21668	2740	10747	0	0	3195	0	4581	2828	53009	0	8747	5759	3220	18683	16047	0	0	0	0	21372	23944	0	4500	0	19234	16073	12970	0	31036	26806	8737	8076	5855	4211	0	11205	48844	22475	12115	26474	6991	3333	22431	41021	30889	4075	0	0	0	2709	0	6432	14192	13482	14755	14394	2558	14668	31171	12774	12344	6067	9569	1536	7526	10681	7584	22508	44917	0	17560	16559	17535	24752	25930	7891	2948	5754	15521	4535	19305	0	4860	49921	Phytochemical	0.45454547	1.0	0.0
24	C22 H22 O10	447.12857	447.12906	-0.06580619	447.12854	33327	30972	33609	30397	41305	30600	4754	11037	50670	91676	29675	9077	91440	24039	16045	9786	3743	48118	56179	55938	55860	52423	20904	13616	11937	43215	4777	22095	7035	4712	9330	8005	11353	7452	98005	6240	13883	13558	6306	34778	32144	9747	2180	0	0	45386	54411	0	8814	5215	31121	32652	30463	0	64209	42801	21187	13533	8955	6645	12083	25149	80613	44268	18135	46706	15812	6710	36563	80480	66393	9546	6394	4404	5402	3945	0	8521	34118	31093	28135	32337	8120	24996	59138	29059	25311	13177	19369	9074	18912	16266	16439	47614	65122	0	25693	33859	38374	40774	47922	7523	7564	10760	31346	11512	37430	0	11903	81740	Phytochemical	0.45454547	1.0	0.0
22	C21 H22 O9 N2	447.1398	447.14032	-0.070208095	447.13977	8977	7324	9162	5818	6263	6150	3976	4139	7524	17981	8522	2766	10089	0	4464	3810	3096	10130	4331	8686	14084	15478	7521	7404	6051	2550	2899	6076	3108	2778	3449	0	6001	4498	22653	3123	5575	5999	3448	9974	12465	2634	0	0	0	15768	13445	0	3874	4359	4075	5965	5508	304	8807	6796	3527	5084	5036	3912	5360	11876	8008	6853	3022	10408	3655	3379	3744	10698	6897	4729	0	0	1859	2399	0	5248	7758	9039	5561	9776	4716	5593	5028	5158	4729	5907	2774	6802	4082	11531	13768	12494	19257	0	5435	7192	4697	5381	6636	5245	4634	6368	6025	6414	6260	0	8571	10197	Phytochemical	0.42857143	1.0476191	0.0952381
12	C21 H22 O9 N2	447.1398	447.1404	-0.11032316	447.13977	91404	94706	91500	87042	56666	49076	45403	71060	65755	181544	104441	46630	78922	29063	50861	68742	76134	79637	89140	173071	193669	180683	64925	77110	41621	72913	43274	75663	58629	47836	56951	53321	81658	60070	294123	55197	70740	58839	79348	175373	211305	42854	1124	0	0	166333	192697	0	68742	56711	93484	87391	52353	0	87248	56430	35006	84216	63600	71821	66264	135765	129254	75755	30131	85987	51501	78851	101802	147855	152964	54296	54188	50337	41154	47993	0	51406	73858	119446	56868	116520	49072	97501	66406	39506	73807	41760	50575	120990	63899	96188	101693	134479	118757	0	95609	92545	60548	60691	60548	60877	39412	77154	112743	69109	52484	0	51897	114904	Phytochemical	0.42857143	1.0476191	0.0952381
6	C21 H22 O9 N2	447.1398	447.14053	-0.09388677	447.13977	19973	19838	19211	19902	16025	8467	6671	11369	19740	50498	28737	10232	28634	5849	8676	16464	11507	19218	21290	30905	56585	35023	14176	18407	4831	10335	6606	13508	8359	9944	11900	12073	15848	8478	57669	9854	14020	7002	16766	26033	48037	9872	0	0	0	26583	55139	0	16539	10917	22943	20506	11083	0	24088	17455	7736	12257	9929	15747	14323	22891	29880	19172	7050	17824	11671	18848	21744	20472	41961	8798	9519	7857	6644	10810	0	7114	13259	18553	9490	16341	7672	13764	16409	8393	11730	10251	10018	21108	8770	14571	21197	32494	33552	0	18384	18303	14080	19254	19831	13477	7632	16089	21170	14710	12808	0	8056	28427	Phytochemical	0.42857143	1.0476191	0.0952381
8	C21 H22 O9 N2	447.1398	447.14047	-0.11379243	447.13977	46635	46295	40062	41278	26503	21011	16261	30400	39019	114302	64751	23828	57349	13998	23512	33755	27405	30992	39624	79279	96910	94593	26248	39341	12655	26838	18482	44148	20258	23321	23389	32512	39929	26089	137079	23472	30835	23213	34996	89409	106768	19274	0	0	0	76610	117079	0	32283	26482	44586	48652	24856	0	40674	31271	21575	33229	28140	38599	38762	58810	58534	42379	16559	40543	22717	38897	59331	58350	100028	28723	23081	21856	20701	23547	0	21625	29652	43155	25446	46576	19932	42541	34882	17489	26921	23694	24603	46263	27636	50527	53229	74857	86089	0	48730	44177	32377	35497	38529	32627	19031	43455	56878	29409	25269	0	21781	49991	Phytochemical	0.42857143	1.0476191	0.0952381
20	C21 H22 O9 N2	447.1398	447.14032	-0.078879245	447.13977	23884	21807	20083	16877	15319	13212	10680	13724	21300	53169	21635	11696	28188	9977	15354	12410	11227	18498	20123	22052	32699	44318	12386	20423	15134	7974	12289	14914	8856	7740	9137	8730	14228	9897	50129	9019	21620	9316	11258	33406	33058	8718	772	0	0	35495	36001	0	12766	7800	21103	20241	18048	0	19954	14700	10319	16786	17716	7438	14587	27277	28574	17093	10245	20509	12317	9916	14567	21619	23161	9587	6347	4558	10216	7432	0	10809	23916	27110	14548	21945	12431	23319	16710	12745	18055	13299	17017	21690	25089	18392	33892	40338	35098	0	18251	23334	11906	15798	16977	12856	8383	14511	23264	17761	15058	0	12811	35574	Phytochemical	0.42857143	1.0476191	0.0952381
26	C26 H22 O7	447.14383	447.14438	-0.15141019	447.14377	3516	2752	2564	0	2485	0	0	0	2895	5904	8415	0	3851	0	0	0	0	0	0	7009	4974	3779	0	0	0	23586	0	6481	0	0	0	0	0	0	8032	0	0	0	0	5307	9839	0	0	0	0	0	6752	0	0	0	2461	0	0	0	0	0	0	0	0	0	0	3835	2572	0	0	2910	0	0	20744	15821	29238	0	0	0	0	0	0	0	4810	0	0	0	0	5371	5473	0	1696	0	0	2012	0	0	0	4413	0	0	3813	0	0	0	0	0	0	0	0	0	0	0	0	2276	Phytochemical	0.26923078	0.84615386	0.0
20	C26 H22 O7	447.14383	447.14435	-0.1093104	447.14377	4791	8053	6142	8033	7226	4473	1599	2981	9028	15593	20189	3767	4536	6214	4553	6099	3751	5847	11000	14874	17975	11698	3100	5696	3446	57653	2455	20471	3214	0	0	3307	4072	1484	24404	1455	3386	4201	2973	9990	22033	4355	0	0	0	6996	9414	0	5143	1894	8145	6837	4603	0	4150	6602	3329	2800	5372	2728	4719	7936	7534	4827	5255	8363	4407	4030	49822	52284	68877	3456	1439	1270	2908	2625	0	1924	5677	12884	6698	6475	3306	14687	6962	4364	8959	3207	2783	7719	4557	6496	4408	12141	9481	0	7114	6159	6572	8957	6756	2079	3373	3194	5540	5235	5469	0	3916	6477	Phytochemical	0.26923078	0.84615386	0.0
22	C26 H22 O7	447.14383	447.14435	-0.13162749	447.14377	7835	10903	8032	9459	7601	4608	1866	3676	14240	25821	43300	3685	5389	9078	2112	3044	4010	8078	7681	19090	26361	11487	2608	2268	3064	84733	2339	35178	2739	2937	3824	0	0	2420	28381	2880	3228	3434	3184	16280	23159	3835	0	0	0	12380	17063	0	2128	4638	9515	7667	7233	0	8029	6322	5564	3873	2607	5833	2690	15095	11883	6529	6523	8389	8761	3739	77234	55956	98356	0	1756	2126	2248	0	0	2054	9633	11657	5961	11967	3672	16626	14123	5767	7970	4077	6766	6362	3278	5437	5339	14244	12922	0	9047	9924	12078	10156	7917	5495	2090	4656	10392	3388	8785	0	5868	4335	Phytochemical	0.26923078	0.84615386	0.0
20	C23 H26 O7 S1	447.1472	447.14786	0.35211915	447.14737	45652	42042	45128	22997	18414	13495	5936	5371	13582	73542	99666	4547	18557	9315	6266	6646	6330	16999	38112	67209	72145	46900	7187	10584	6514	176250	4041	101044	4922	0	6297	5749	7355	7173	79993	2286	9860	6466	18498	57642	119652	19852	0	0	0	28896	33626	0	6043	3750	23083	41626	17006	0	14909	13500	13262	7951	27178	28540	13374	44955	18518	10977	8824	15313	11099	4371	81298	223296	218568	4916	10162	4011	5822	5727	0	3960	11035	74274	5112	34682	9069	85296	16644	14274	15124	17704	8604	27750	35122	84676	23568	50706	51422	0	22270	23895	23888	12479	29960	18658	3435	17235	22278	15844	13921	0	14750	17965	Organosulfur	0.3043478	1.1304348	0.0
24	C23 H26 O9	447.16495	447.1654	-0.11622982	447.16492	87215	84647	76341	67022	99412	75542	28612	51126	101943	191525	80824	30147	169433	53774	54244	54245	30127	126334	115740	160795	154527	92405	70245	58092	41177	138541	24959	72488	38670	31601	45735	41902	53476	48598	215013	45292	72159	41568	35899	110650	67770	32178	3022	0	0	95631	95377	0	50262	38106	90682	80585	66744	0	111503	96374	45514	60570	44816	25085	60767	73330	138290	88901	35012	111939	47490	33917	117127	229980	204916	56301	42934	36614	30981	40186	0	43392	82307	37339	70509	68608	36638	70708	114716	55945	67237	41192	40343	45027	52134	58882	73119	65941	90967	0	77129	78385	75943	88468	96985	49177	30235	56809	63887	44045	67367	0	39725	157147	Phytochemical	0.39130434	1.1304348	0.0
22	C23 H26 O9	447.16495	447.16547	-0.070981376	447.16492	235322	242883	206181	201852	230896	199393	90612	165449	292774	604327	250054	89741	325522	152466	158995	145737	78179	337678	255013	495117	480176	255711	176795	169078	148279	384013	78110	207190	138329	116601	133909	143524	160071	131705	629539	133108	195819	133699	84386	299354	202720	108472	8347	0	1856	289755	222194	3229	144008	124959	226097	219626	178508	2188	284289	209620	123878	165866	135599	72600	155335	217972	352405	232106	106314	257309	148965	83984	335820	675942	508188	155235	121220	113310	73506	131549	1393	119247	199795	114500	175955	190010	108228	191744	258676	150357	177118	97488	126117	108525	180596	205769	201160	154984	253231	0	212378	204541	208048	222937	179681	138074	113116	156686	183352	154689	184819	0	118321	397047	Phytochemical	0.39130434	1.1304348	0.0
20	C23 H26 O9	447.16495	447.16547	-0.050739676	447.16495	514338	507278	491653	455711	497161	374637	205740	385740	570886	1334793	575263	238494	689241	303218	351450	326482	193557	581558	567957	1167803	1075353	550179	371956	403435	315119	899377	195727	478471	327440	296223	334834	328887	380616	315521	1450755	294584	441220	281126	196222	733799	460415	257228	13290	3365	1536	631083	457839	3152	329169	308485	498190	503797	359852	3056	579918	391779	233975	380248	358040	171088	348408	485103	666583	460791	205028	482854	296875	212739	746126	1486158	1110978	374318	302310	312385	209589	309412	1950	293226	410018	272256	354678	390903	265099	508911	469747	272694	376453	229628	277987	243843	398701	431565	456985	355335	477517	5684	496197	498939	408018	398310	361875	344389	253153	424202	390989	332966	356370	4878	272114	747675	Phytochemical	0.39130434	1.1304348	0.0
28	C23 H26 O9	447.16495	447.16544	-0.14083494	447.1649	16954	17441	15999	16157	23360	13579	8161	11099	20028	44359	15697	6284	40205	12048	11736	15796	8666	23957	24354	38924	34102	16234	14803	19030	11542	29597	4084	16204	10862	7590	11634	9581	14853	9237	40143	9973	13327	7276	9327	17199	14960	7131	1799	1506	0	16587	15743	1366	12802	11555	16756	16258	15770	0	26273	17022	7824	12253	7154	4390	15228	12105	35069	18480	8269	23328	11787	6644	36674	55566	46865	10168	7046	7594	7681	7622	0	7525	18040	13353	12424	13164	8311	14840	24512	11470	15175	8135	9172	8808	14817	13875	17037	11122	20982	0	16788	16509	14198	22650	20200	10394	8474	11489	13416	9470	14233	0	8184	24423	Phytochemical	0.39130434	1.1304348	0.0
26	C23 H26 O9	447.16495	447.16544	-0.16551055	447.1649	32104	38154	36087	32269	45797	30382	8165	18082	48888	81571	25954	16919	77152	28629	23515	25520	15385	59219	56860	76253	76476	38811	25121	31978	16681	45448	7983	29591	18736	15244	20662	13888	22187	17784	80819	24163	24988	16521	13537	46085	34056	15356	4552	5857	0	38480	39019	0	24500	20523	33462	32366	33011	0	49338	40038	20738	26117	18162	11880	23294	32845	74134	38964	15572	54098	23098	16412	63938	102332	95191	19724	13952	13267	9922	17539	0	14074	31185	25407	31739	23664	15904	28702	50030	27807	29019	18954	23061	16452	24265	19691	26470	28074	47920	0	29161	35467	34411	50005	43102	18365	14187	20926	25021	19759	26916	5659	16883	67214	Phytochemical	0.39130434	1.1304348	0.0
8	C23 H26 O9	447.16495	447.16565	-0.08965886	447.16492	15560	16261	10074	17056	6168	5207	11189	18384	7299	36802	28648	9195	7613	4436	11119	15439	13820	5438	10644	41760	40294	15500	13619	16705	7909	30118	13475	6522	14224	14785	10935	12195	12173	12429	43918	15868	9677	9556	17280	28416	36650	5449	0	0	315	17058	33922	428	18296	16170	12684	15757	4127	527	12199	7325	5669	14197	9611	15035	14941	13125	5958	6042	5795	6747	6284	14871	13444	38486	27598	14214	11361	11787	7409	12632	0	10560	15461	7304	12550	26346	12023	12103	8229	0	14190	5387	7586	18596	10661	11408	16219	10221	11362	554	13488	12499	8799	7370	7669	11810	9762	20942	8702	8838	6343	364	11528	7176	Phytochemical	0.39130434	1.1304348	0.0
12	C23 H26 O9	447.16495	447.1656	-0.08211145	447.16492	154140	164224	151741	161321	73537	56204	119256	155955	94951	444196	164206	102982	78342	48041	90615	149439	122573	84226	109338	505012	420992	177353	101612	170693	79497	393090	109169	118959	106073	122500	120789	133250	120084	98847	461486	116290	113578	102302	130307	346490	222793	59314	2612	646	560	314084	206448	1116	142513	149544	164461	171712	59823	596	100903	71112	57497	126485	130666	136826	169195	230458	103876	77866	51865	93773	63554	156790	214987	492684	586728	112351	106744	131799	117260	131082	578	97097	136354	105764	238770	240236	103628	237272	94483	50709	114746	50845	65571	164000	111740	108810	138099	111585	264964	1529	160318	155702	99553	78382	83145	136304	88807	161654	119282	110749	78239	396	98583	101678	Phytochemical	0.39130434	1.1304348	0.0
22	C22 H26 O8 N2	447.17618	447.17673	0.00538758	447.1762	32865	42293	31649	27248	26186	18820	15962	22799	32113	55321	58398	11856	16747	21501	21501	31095	19730	34215	27854	39608	58967	35753	25411	36568	35185	115494	16299	50029	18375	18955	25861	19384	31136	20435	56119	18509	30028	23743	24692	52438	53265	22074	0	0	0	33714	33858	0	27241	18250	32804	36960	25421	0	24631	19567	16117	36034	32165	23328	28769	41434	20084	24509	16865	28077	35198	23690	100144	104012	129232	21226	16600	15987	13032	9705	0	22529	37265	27379	25930	29742	18881	32606	23637	22639	33889	27931	26015	40269	34223	35133	41683	31535	39229	0	32976	37822	20316	23520	21790	33648	20603	30836	21174	33521	26147	0	27569	37873	Phytochemical	0.36363637	1.1818181	0.09090909
6	C22 H26 O8 N2	447.17618	447.17688	-0.14639543	447.17612	30879	30888	30586	31755	15273	15936	14973	29866	20342	62483	29980	13402	30692	7919	20576	32993	23711	20093	31854	57916	66215	50884	20205	35998	15485	23785	14629	20089	21189	22310	21024	23697	33998	18725	68408	21529	28597	17007	26372	39990	49583	14175	0	0	0	39373	47918	0	33044	25688	28395	28095	13757	0	29129	17386	10233	30393	14430	20685	30009	30474	26481	21588	8960	22043	20326	31386	28599	49898	52864	23254	20677	17991	13252	19246	0	13883	23823	28934	15640	21166	16150	24895	17734	12792	22749	17507	16018	40427	25430	34399	46353	37747	48469	0	33736	25239	13232	23424	21230	30599	14708	33790	20519	28747	13503	0	17760	29110	Phytochemical	0.36363637	1.1818181	0.09090909
8	C22 H26 O8 N2	447.17618	447.17685	-0.14319272	447.17612	61837	67758	50330	59181	29744	25685	31452	51853	32009	117460	50939	29638	48682	17633	35998	50434	41331	33610	50743	114158	124220	101211	42165	65173	30726	41101	29618	52723	44370	46110	42468	53398	53900	43283	149878	42320	59216	30121	53728	102252	89076	28994	0	0	0	98387	88198	0	56124	48530	63039	59635	25702	0	46371	26200	21759	56146	31780	45754	52694	59330	48216	40897	18623	41917	33497	50221	46800	85555	89140	45950	42180	38602	33203	43505	0	32936	46609	48634	33122	45801	34831	58997	30340	17388	46865	30888	33945	75479	60076	70222	86730	65671	99862	0	59509	61406	21922	25604	28166	51450	27848	80176	28840	47121	22530	0	38675	49404	Phytochemical	0.36363637	1.1818181	0.09090909
20	C22 H26 O8 N2	447.17618	447.1767	-0.1301188	447.17615	27137	26537	32214	25723	17884	24080	21221	28115	21490	49507	24216	16133	28550	18619	24057	28577	17179	25275	31585	45839	34300	47268	22699	40062	32829	14543	15254	19420	21570	22134	27896	24867	41560	22850	56657	18472	38155	23296	19306	45105	30417	19537	704	0	0	36145	28523	0	27340	20878	27193	37799	24436	0	24883	13301	15607	31004	27149	15239	30477	36747	24241	16309	12296	18626	19603	22883	19060	31720	21485	27298	24164	16168	15366	18815	0	18374	26521	25880	22839	20264	24273	23403	14254	12059	30747	17377	22197	25662	45350	55737	69570	25388	41213	0	31801	35505	12964	14469	16080	34228	17367	34977	22658	40796	17856	0	30449	39017	Phytochemical	0.36363637	1.1818181	0.09090909
26	C27 H26 O6	447.1802	447.1807	-0.14868464	447.18015	7091	8654	8794	7692	7967	4858	2529	6936	7858	9214	18857	4469	13419	4282	0	6919	5730	7962	10749	15160	15305	6612	7107	5520	5705	56853	2797	20324	0	6529	5510	0	5281	3438	13311	0	5511	4800	3083	11070	17528	6628	0	0	0	12579	15920	0	2957	9328	8670	7866	7573	0	7338	8891	5353	6398	5058	6069	7622	8243	7555	5627	4761	13426	8673	4868	64656	28681	50289	3683	0	0	0	3473	0	4427	5991	10421	4819	10904	4236	15375	12658	9695	10039	5901	4165	4753	4382	6991	5752	10662	7004	0	9808	7784	8783	14052	16995	6739	3727	8725	7399	3153	11602	0	8383	4490	Phytochemical	0.22222222	0.962963	0.0
20	C27 H26 O6	447.1802	447.1807	-0.14454868	447.18015	9283	6934	8370	11336	7192	3087	3260	5833	7040	9348	16282	4567	9035	8475	6253	7978	6490	9097	9125	11248	12698	10558	3957	5661	6756	45189	4058	13635	3935	6402	6708	6381	9379	3004	14402	3520	3784	7476	8327	13363	14137	7411	0	0	0	9293	11341	0	6715	4150	9395	7301	5334	0	5295	7656	6047	6281	5564	8456	9731	7696	8442	5127	4346	6653	7378	7472	34682	35250	60641	5452	5131	4615	5290	7507	0	5146	10411	11312	9979	5762	4562	11622	9522	4059	12764	6997	6044	11509	5964	9074	14231	6539	6297	0	6698	8835	8563	8450	8256	0	4950	9796	4595	7123	7264	0	9036	8405	Phytochemical	0.22222222	0.962963	0.0
24	C27 H26 O6	447.1802	447.18066	-0.12721957	447.18015	13818	21175	13156	11652	14750	10456	3949	7351	14459	24240	46582	6249	10346	12949	6655	11842	8465	11159	18641	30828	27675	13378	12702	11661	9106	99949	2791	39432	7506	6469	8595	6036	9451	7856	28954	4749	5096	5310	4370	26251	34443	12556	0	0	0	19086	24280	0	6027	9541	11829	15625	13168	0	9743	12900	10961	6838	8317	7357	7370	19706	14126	11608	8525	16104	10782	7243	108169	63654	99646	6981	7705	6146	5585	5878	0	4202	14933	13630	11778	16104	7795	28575	21307	10841	15320	7180	11606	11010	6241	6752	11654	20793	13663	0	15464	17632	17484	19343	19460	8147	6412	12412	16452	9465	12965	0	8471	9692	Phytochemical	0.22222222	0.962963	0.0
6	C21 H26 O7 N4	447.18744	447.18817	-0.14444251	447.18735	9803	9330	8641	8449	4566	4303	7283	12481	4100	5826	4174	5124	2564	1954	8718	12326	10984	5408	5711	7761	6855	0	8233	13563	7746	1050	5939	4597	9292	8796	10105	9571	13578	7021	7575	10097	11640	8172	11300	6291	9122	5072	0	0	0	7444	6533	0	9870	7403	9336	7842	3290	0	5257	2148	2366	9367	6774	7988	9051	6141	2984	4344	2196	4877	4743	17375	0	4623	0	10465	7395	8481	5254	7990	0	5510	6515	6331	7505	4883	5464	4639	2040	3153	8387	5781	6166	18332	33220	16083	18276	6986	9275	0	9327	9230	2078	1842	2802	8324	6463	10066	0	11328	3029	0	7963	4409	Peptide	0.33333334	1.2380953	0.1904762
10	C21 H26 O7 N4	447.18744	447.18793	-0.14340703	447.18735	13081	17373	4678	17339	7653	10007	10611	0	5338	28121	7438	11207	6404	5634	11756	0	13127	11020	11882	24324	31657	27484	9475	22717	15635	14688	9710	9057	10878	14730	13853	14223	17580	15368	27926	12244	20209	9016	16561	25267	22452	4946	0	0	0	18841	15441	0	10741	11426	13442	16620	8100	0	5018	4539	5025	19097	8184	9702	11346	9964	7088	5888	5364	8514	7678	14769	14549	17590	18830	16345	7269	11292	12480	14604	0	8822	18379	0	10545	10559	11705	14019	4972	7642	11959	6841	9427	28163	24688	26058	29839	11439	14937	0	17304	15039	6531	3508	6458	16771	6794	14400	0	16522	5542	0	19248	6916	Peptide	0.33333334	1.2380953	0.1904762
14	C24 H30 O8	447.20135	447.20193	-0.1258686	447.2013	198368	211085	187215	189270	112177	88503	168764	196167	135001	203001	165765	148827	110258	73443	153709	225255	213733	111621	141685	233613	230532	209657	154158	217816	139737	261706	166296	168824	158538	194950	157085	237139	177194	122383	225600	187155	167466	149120	207891	325358	216563	108770	3595	839	805	158729	202440	772	190667	196230	199088	184711	105702	802	146912	110035	99791	221273	193867	194574	219238	120870	127998	115733	82540	123547	109892	227321	244109	283154	326713	142269	134073	190030	179091	177126	529	131334	230735	128328	179858	124088	162420	133252	163069	101864	205388	93512	114839	293330	164771	160453	226161	120071	136839	2290	205068	183670	111173	141604	143669	190885	142355	237523	123178	170813	111204	1070	174819	123137	Phytochemical	0.33333334	1.25	0.0
22	C24 H30 O8	447.20135	447.20184	-0.05869915	447.20132	759513	774047	700071	734016	679531	540683	331446	717088	756571	1642841	810837	376423	790953	454170	591325	621525	319876	923339	858693	1709142	1543991	790896	615112	735022	569083	1429533	286427	752989	642827	547147	598738	623902	689995	572724	1800036	597538	832499	524049	361949	957278	635501	402586	21905	3515	3006	742377	500318	4339	648454	571397	774902	733057	525078	4311	891105	589230	369349	660143	597701	292391	645796	664257	890683	679909	304646	681127	465922	371906	1154844	2487428	1698378	658546	544904	561560	313165	590412	4218	485245	656832	338706	565466	436982	435771	583482	660848	421091	576481	391459	496720	424150	723058	821905	839278	410761	702194	4284	695780	713609	525845	571544	508152	647532	434249	720607	428772	594602	516867	5613	439179	979973	Phytochemical	0.33333334	1.25	0.0
12	C24 H30 O8	447.20135	447.20193	-0.17296514	447.20126	72813	74612	82114	65582	30978	25689	74242	78695	43624	63584	55990	43495	29613	20354	48533	94607	81204	27034	54236	193556	69468	86830	52823	88094	41517	64842	75723	39844	60082	70710	54479	68003	60598	42194	115586	61956	57587	52743	83369	50629	89194	33506	2034	601	560	58389	88097	527	77202	83181	82961	82044	28770	637	46234	35488	27082	85171	57719	91963	83783	43873	36919	35290	21150	31076	23375	94640	59986	154538	86599	51696	52558	68982	77050	71568	552	44021	69758	26688	60354	45630	60087	37038	45241	31279	76874	21353	29841	114141	52658	55254	88845	40182	58759	1289	74895	79504	35815	42036	43325	74715	46309	85893	32938	52759	31670	409	57187	33622	Phytochemical	0.33333334	1.25	0.0
16	C24 H30 O8	447.20135	447.2019	-0.10851628	447.2013	429191	479563	433533	448811	327915	220405	320404	468101	344031	542018	385031	312793	338864	190249	350124	494603	423190	334470	434051	706631	650546	376448	397101	511512	303558	784728	307073	336178	369647	368542	393540	457654	449042	281127	572685	416983	402830	334746	465622	434754	467880	234192	9686	1687	1643	351935	369324	1784	449442	410910	467491	467819	283944	1823	366593	300244	228759	456812	356643	371741	481138	279502	383548	309499	190330	327092	256207	447143	628683	870011	1003871	354824	375339	420889	423874	423768	704	300736	514806	264878	406555	284788	386485	350436	384908	230916	460820	232899	267570	604665	364796	394328	551375	265395	333095	4120	462502	439405	277767	341206	351791	456737	265055	459203	203985	431679	298846	1754	392376	389146	Phytochemical	0.33333334	1.25	0.0
24	C24 H30 O8	447.20135	447.20178	-0.079990484	447.2013	277940	271855	257142	256810	259744	207199	106782	225247	274565	576430	284872	124928	412621	165209	194489	210997	119326	338228	382692	578145	506463	253013	219224	268446	167283	464835	102883	260245	200691	176795	188267	198993	232381	179846	624267	203608	301366	152107	137349	348523	215578	136070	8665	0	0	262243	185732	3035	216777	182968	268560	254259	198115	0	342151	243216	124786	251123	189904	92906	231492	216065	358760	244144	111307	307142	171371	134761	414689	792826	622149	224826	187532	182346	117374	170352	0	173563	255443	125538	215435	154306	140282	214062	262774	137482	214494	124384	158620	143239	240491	271091	304673	157322	253988	3180	250478	258808	180884	223796	223321	223023	125644	236945	157135	199429	186568	3352	158491	392713	Phytochemical	0.33333334	1.25	0.0
10	C24 H30 O8	447.20135	447.20193	-0.18406244	447.20126	17662	21278	17850	16728	7490	6557	16444	29983	10216	25856	8470	12103	7038	5258	16053	29643	21413	6968	8394	36650	32920	21943	11387	22054	15516	19818	23730	13105	16219	19751	16762	17803	15664	11865	49674	17246	11320	14276	24521	12031	18711	7745	928	0	525	13537	19250	0	18886	22272	16169	18869	7444	435	15077	8497	6968	26925	15856	15792	28406	9187	9298	8600	8511	7693	8527	25359	15240	14012	21550	13943	15422	22555	21352	22195	0	12726	24553	12296	16495	14100	17725	14119	15866	6868	19382	7002	10744	22574	15328	14671	19664	8716	14584	831	21018	18330	8640	11965	12266	18413	11958	19825	0	13398	10078	0	18749	7332	Phytochemical	0.33333334	1.25	0.0
8	C18 H30 O9 N4	447.20856	447.2091	0.07581683	447.2086	7724	7947	6267	8641	938	3377	3225	4414	899	3641	5445	957	1275	0	3736	4478	3291	1136	2592	3798	1602	5615	2130	3712	1801	857	705	34357	2804	3755	3894	2085	2359	2670	2823	4478	1788	2465	3075	2651	899	919	0	0	0	2708	2096	0	3782	2882	6241	6396	1268	0	2098	1001	975	3933	1810	1553	0	1203	973	994	0	1386	0	3159	0	1657	0	3697	1829	3307	1578	2837	0	1702	2120	68479	1618	1002	878	0	2038	0	2273	1146	2288	3178	564806	182751	5332	24435	9646	0	1524	4498	0	780	3119	3524	996	0	0	2113	0	0	2728	0	Peptide	0.5	1.6666666	0.22222222
10	C18 H30 O9 N4	447.20856	447.2086	-0.004981348	447.20856	0	1380	0	1312	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6997	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1069	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9633	0	0	0	0	0	0	0	0	0	1407	101953	38855	0	3595	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.6666666	0.22222222
2	C18 H30 O9 N4	447.20856	447.20935	0.022099214	447.20856	4091	6898	5020	4354	1865	18081	1742	2346	2142	1503	11104	1737	2785	1330	2081	593	2269	2936	1953	0	0	2304	1715	1795	835	0	0	65348	4925	1167	3207	2980	4857	4285	1042	1973	3416	2047	3159	0	0	0	0	0	0	377	310	0	2733	1899	3971	5979	1749	0	1864	1094	953	3673	386	0	668	0	2268	1443	0	3060	1961	3341	0	486	0	3931	3668	1978	0	1947	0	1552	1465	290852	2003	0	0	0	1287	1348	1828	2501	2423	5464	141893	65077	4874	49131	1435	0	5203	4827	1213	1236	1621	1451	2011	467	0	4832	1302	0	2243	2828	Peptide	0.5	1.6666666	0.22222222
6	C18 H30 O9 N4	447.20856	447.20923	0.09771316	447.2086	12299	11346	10343	13069	1144	3224	804	1693	1004	9764	14904	549	790	890	2094	0	0	1256	1118	0	0	5047	1126	2316	1128	0	737	83239	1472	0	848	1298	1752	1019	1051	0	1180	1256	1567	0	0	719	0	0	0	0	0	0	1694	0	11696	11136	598	0	1009	0	523	2175	0	0	0	0	0	1178	0	769	1122	1698	0	0	0	1262	1301	0	0	667	0	0	1243	202526	1114	0	0	0	662	0	1605	0	0	2373	1144038	346952	2005	65728	29809	0	11377	9817	687	0	0	0	615	0	0	1090	0	0	1175	1311	Peptide	0.5	1.6666666	0.22222222
6	C23 H30 O7 N2	447.2126	447.2133	-0.15609692	447.2125	16974	15016	12283	11975	5872	4714	9740	19468	6563	23558	7813	9166	7569	4999	12256	18642	11811	8476	10619	27950	28198	24748	9138	21206	13909	10114	9223	8335	15755	14189	15404	13078	21176	14303	25413	15114	19592	9921	11877	18221	14234	7711	0	0	0	15398	15122	0	20090	13196	15165	12811	7602	0	10038	3444	3359	18746	4007	5954	21614	11254	6778	6030	3184	8506	7951	16909	6418	18973	13082	14148	13414	12957	10627	13688	0	9785	11922	6152	7478	5634	6351	13543	3959	4794	13031	6683	8305	19094	5408	10941	30682	9183	21238	0	16862	11387	3610	4915	3727	17198	7631	22825	9376	16121	3732	0	11284	6951	Phytochemical	0.3043478	1.3043479	0.08695652
8	C23 H30 O7 N2	447.2126	447.21323	-0.17295015	447.2125	26255	24414	23174	27134	11377	9343	13949	29946	11236	36616	18236	13705	12025	7252	17764	27277	16813	12775	18873	53912	49978	38250	18200	34615	19825	17201	14819	15939	22613	23068	20297	28173	30128	23807	54037	26244	29893	14108	23407	43062	27568	14140	0	0	0	33211	26999	0	32866	23086	24450	22282	11931	0	16365	6584	8835	25300	4661	7226	24351	18520	11796	13339	5154	13069	13225	25237	12186	35350	28241	24707	22995	16844	17840	19306	0	15039	22976	23009	13430	11526	11409	23179	5362	6768	19712	11742	14587	44772	31549	22058	49748	24585	42832	0	26036	28246	7546	8219	7215	28118	12341	30747	11681	28787	6767	0	17572	13083	Phytochemical	0.3043478	1.3043479	0.08695652
22	C23 H30 O7 N2	447.2126	447.21307	-0.067234665	447.21255	8692	6755	7969	8172	4135	9539	6931	8299	4644	7194	6229	4281	5985	0	8239	8573	5967	7460	6557	10629	8765	12744	7807	14750	10991	0	6370	6784	8763	7725	10131	11696	15960	9507	4690	8136	14347	7789	7300	11786	8423	6028	0	0	0	8818	6845	0	12266	9284	5800	8332	7178	0	5056	3399	3639	12640	5757	5628	9682	6942	5031	3905	3224	7221	6933	7103	3781	7093	6385	7447	7855	7313	6088	10430	0	6917	7034	3941	6689	5308	6457	4655	4008	3412	11146	9049	9661	15986	24558	24186	29703	8579	4763	0	7293	6926	4455	4242	3207	14054	6462	10111	4163	15561	4962	0	7198	5447	Phytochemical	0.3043478	1.3043479	0.08695652
24	C28 H30 O5	447.2166	447.21704	-0.16955315	447.21652	22815	25456	26440	20744	19181	13370	10229	21275	19620	24564	43080	14008	15814	13324	15741	26295	19407	16425	24043	26393	30996	18605	17423	26453	22119	110036	9709	35605	17062	22567	15838	14709	25042	13623	27509	17483	19506	14085	22131	31930	38473	18328	0	0	0	17161	26688	0	18186	21483	27106	28006	22183	0	17486	17782	14564	25681	15370	16040	21273	22160	16575	15496	10668	24144	22152	19033	90884	69220	112031	14435	10889	15239	10733	18497	0	15997	31763	22151	21767	15060	13601	26453	28211	15426	28237	19498	14067	26423	16744	19199	30360	23909	13668	0	24506	25094	16232	26662	28088	27548	13859	25275	14651	19228	19848	0	22906	13947	Phytochemical	0.17857143	1.0714285	0.0
26	C28 H30 O5	447.2166	447.2171	-0.17015755	447.21652	19760	15639	14556	12666	13800	6399	5023	16891	11741	13144	29377	6820	12421	6310	11073	12153	8156	10246	17331	20757	16624	13451	9474	18905	12556	74922	5968	27931	9690	13705	12173	12643	11168	8052	17386	13913	15297	6418	11501	19473	24672	9486	0	0	0	15776	275503	0	9123	14385	17115	16358	11652	0	11110	14873	9557	9622	12281	6800	12192	16743	10384	9964	6046	13207	19606	14648	77618	38616	62037	8467	7764	10374	8178	10412	0	9462	14797	15334	13066	9613	12470	21124	20151	8663	20086	10542	10204	7970	8575	11676	15655	12768	9630	0	14339	14350	12407	21759	23136	16492	6732	17013	10415	11100	16448	0	14371	5830	Phytochemical	0.17857143	1.0714285	0.0
22	C28 H30 O5	447.2166	447.21707	-0.1715641	447.21652	17324	17794	14601	15348	18949	9036	9464	15534	10797	15276	21214	11369	11903	9988	14369	22644	20284	7938	17805	18839	27561	12323	14756	17977	14745	67228	10323	23509	9476	17974	15679	14614	17986	13228	17033	12948	18162	12656	23207	16706	28190	13234	0	0	0	11920	16866	0	14694	18184	21260	13459	14144	0	16272	14346	13094	22396	11061	17346	21007	14708	10638	11461	9464	18741	15270	21638	57845	46045	75834	10553	10980	13381	10619	16152	0	9806	28579	13951	19171	12224	8971	21345	16630	15030	25813	11075	13270	21266	11958	12500	21778	15932	9852	0	14862	15327	14717	22051	19808	21674	12486	18496	7863	18138	16100	0	21019	10442	Phytochemical	0.17857143	1.0714285	0.0
10	C22 H30 O6 N4	447.22382	447.22418	-0.3894702	447.22363	4013	6709	3884	4513	790	0	0	3702	0	0	2368	1927	0	0	2160	2938	2932	1016	1957	0	0	3564	1756	3716	3477	0	3079	22407	2009	4284	1676	3112	6469	2894	2413	3334	3844	2196	2461	0	2035	1211	0	0	0	0	2281	0	3995	2511	4904	5881	1191	0	1052	0	0	4425	0	0	0	0	0	959	0	0	0	3195	0	0	0	2678	2995	4262	3627	2510	0	0	0	87039	2400	1476	1252	0	900	0	2983	1198	903	4987	170891	72205	3575	11414	3179	0	5997	5098	0	760	0	0	2278	0	0	3847	770	0	2628	0	Peptide	0.27272728	1.3636364	0.18181819
8	C22 H30 O6 N4	447.22382	447.22433	-0.25844994	447.2237	3643	3531	3931	3367	0	2139	2349	3806	737	1355	0	2225	921	0	2830	5588	2729	1008	2446	2547	0	4538	2054	4168	2832	1006	2025	9262	2994	2364	3314	3959	3988	3559	2328	3708	4374	3006	3860	2510	2162	1668	0	0	0	4165	0	0	3733	4744	3139	3449	874	0	0	0	610	2343	1167	0	0	0	0	1104	0	0	1868	2144	0	0	0	3953	2711	0	2174	3305	0	2925	2424	135019	1623	1210	897	1780	0	0	1884	2335	1644	7752	59139	22531	7692	8681	3654	0	5928	2462	0	703	0	5105	1742	3456	0	3716	0	0	2945	922	Peptide	0.27272728	1.3636364	0.18181819
14	C22 H30 O6 N4	447.22382	447.2239	-0.76363593	447.22348	0	0	2902	0	0	0	0	5469	0	0	0	2448	0	0	1783	0	4222	0	0	0	0	0	0	0	1785	0	2516	0	0	3966	0	0	0	3898	0	0	3766	0	4891	0	0	0	0	0	0	0	0	0	4006	6595	0	3414	0	0	0	0	861	4057	0	0	0	0	0	0	1553	2308	1311	0	0	0	0	3960	3492	7332	3736	3379	0	0	0	0	1152	1539	2022	0	1580	0	0	0	2361	0	93229	33630	0	3134	0	0	5068	0	0	1077	1575	0	3067	0	0	0	1239	0	0	0	Peptide	0.27272728	1.3636364	0.18181819
12	C25 H34 O7	447.23773	447.2383	-0.069597214	447.2377	9773	12798	12094	7756	3266	3517	6899	12674	4142	4360	4349	4308	0	2229	5005	19346	13792	1421	6637	8921	0	9611	8823	13656	9418	4467	16879	0	11411	9610	7266	8917	5939	4904	5260	11709	9845	9245	22553	3744	6373	4527	0	0	0	5263	9099	0	11144	11567	11058	9749	2960	0	5251	5070	3960	14607	0	7697	0	0	2626	3892	2536	2062	3283	17389	0	2132	2717	5180	5554	14218	18957	12279	0	5807	10830	0	7890	3884	8464	3610	6420	3138	13244	1430	3954	10098	5589	5840	11285	6057	5140	0	13316	8003	2590	6100	6950	17776	7609	12197	0	5356	5315	0	9235	2197	Lipid	0.28	1.36	0.0
24	C25 H34 O7	447.23773	447.2382	-0.07660418	447.2377	663743	685962	655439	672799	675108	455714	344081	590495	633492	1226868	744938	327570	794462	400885	523687	621411	386045	767611	1036522	1445707	1354690	666865	512176	653856	491057	1300779	306759	748552	608046	563555	541641	629601	740831	524037	1471140	633180	868345	413401	424941	852732	564799	368330	15813	3188	0	587089	395326	3619	628219	484188	668063	662861	522768	0	880696	619761	333843	661109	547610	289431	666064	518702	764121	599312	278072	654272	462503	414510	1047417	1986573	1543624	536108	521556	547859	378007	522298	0	450644	622478	328676	472728	350165	458702	560997	628958	394144	597648	364235	510230	495969	714552	776196	1581900	412730	632178	3509	699134	700951	431277	589904	543523	730316	345092	693495	366824	585534	498890	3469	452663	826012	Lipid	0.28	1.36	0.0
22	C25 H34 O7	447.23773	447.23822	-0.08648987	447.2377	881245	933756	833912	904535	894859	588806	577135	851281	869454	1324968	987078	539202	771780	581155	736121	890923	701473	993355	1101518	1717521	1670275	795790	727922	866875	693483	1745653	558966	946757	864698	784291	744877	873974	1013263	736427	1438792	858011	1020542	657903	775358	975695	809928	591082	20446	4204	1368	698836	565227	3103	857837	700826	903508	885298	729832	3815	1052857	803840	527195	942104	661905	479165	903414	629500	970639	808463	418344	831388	653526	738639	1418823	2440804	2137534	644321	654287	731831	627309	790787	1464	619457	946474	460815	698279	469022	680804	684776	919401	640588	938940	570021	682228	784727	887623	948887	951557	502720	748017	3902	795003	904142	640766	855425	780089	1080393	529452	900193	433988	746797	725531	0	641781	995793	Lipid	0.28	1.36	0.0
18	C25 H34 O7	447.23773	447.23822	-0.15756683	447.23767	277532	267694	245023	237460	209714	132878	237407	272106	184733	239968	193372	194245	216448	129372	230073	337327	361268	191579	270309	305450	287186	206712	220045	276527	195198	352140	243836	193153	270646	249397	231859	308382	284352	233532	265385	277237	271617	219311	415166	182460	227891	165671	6846	928	667	157346	187932	1209	260862	232069	276433	259624	188204	1599	245979	210622	169911	308907	168801	216392	260686	125551	228116	188836	132738	209271	179308	432273	292235	343242	460369	171950	189178	249975	343075	304564	499	169933	347075	174948	271466	140926	208174	151297	298326	196953	338489	155846	181917	375091	240503	258573	313184	144405	183176	1879	276860	252309	183677	271386	288020	311910	165269	252373	111694	227543	199418	917	238206	200222	Lipid	0.28	1.36	0.0
26	C25 H34 O7	447.23773	447.23825	-0.0994341	447.23767	204669	189062	200277	182024	177797	122877	90003	207562	201388	293114	196947	101081	275231	125148	171502	226164	118127	255699	309364	410517	373888	201100	150588	229506	178865	369651	83044	207933	204378	169847	173696	186934	221392	147011	409984	186856	251873	126790	119908	244731	168256	121463	5476	0	0	181477	123197	0	180960	154898	192381	190121	144051	0	252232	218820	103913	206920	167558	78019	217188	150482	228428	177409	77445	196016	152636	133264	335286	551998	443615	147700	146595	181489	114553	167258	0	132372	279182	114073	158142	115641	140397	161323	187222	126587	228219	118265	130456	159212	211757	245122	261465	131849	204549	0	190481	218258	121307	208689	200478	233044	106617	211669	129881	149792	150839	0	145367	215838	Lipid	0.28	1.36	0.0
20	C25 H34 O7	447.23773	447.23822	-0.12070835	447.23767	574835	616545	610460	576014	559474	347073	448685	539278	521849	632925	499644	407209	554912	373575	469505	673308	644774	521599	740491	866226	839380	482021	449361	608506	424236	1027768	459011	506154	575931	537253	449761	539366	646154	442668	735457	543445	631562	441437	666422	514698	569835	402651	13718	3104	910	400358	407393	2768	592682	487225	589255	581454	444689	2026	581490	515273	342956	615049	397448	388937	580562	357927	599086	535107	305296	521904	402802	675813	762873	1151902	1290887	400357	448570	523557	645766	537043	833	388427	702026	349577	491566	271438	466511	465891	639493	402218	693136	381792	425084	694576	569532	580901	690490	329006	439913	4103	602060	585038	411558	598166	623775	697180	396434	584948	288117	524485	506981	1944	491790	583616	Lipid	0.28	1.36	0.0
10	C19 H34 O8 N4	447.24493	447.24542	-0.1593449	447.24487	5887	3749	2538	4092	0	0	0	0	0	0	7923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91751	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4693	4236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	237050	0	0	0	0	0	0	0	0	0	0	468808	105384	0	33923	3618	0	4264	3798	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42105263	1.7894737	0.21052632
8	C19 H34 O8 N4	447.24493	447.2456	-0.012200198	447.24493	12724	14181	9508	14674	0	4201	0	0	0	2710	17633	0	0	0	0	0	0	0	0	0	0	1353	0	0	0	0	0	227167	0	0	0	1140	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9981	11661	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	645473	0	0	0	0	0	0	0	0	0	1123	1213329	403246	2910	94201	13474	0	14692	11757	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42105263	1.7894737	0.21052632
4	C19 H34 O8 N4	447.24493	447.24576	0.019853462	447.24496	8943	9608	8028	6918	0	18064	0	464	368	0	4820	0	468	880	884	1546	0	2761	0	0	0	0	310	875	848	0	0	78567	1046	0	670	0	2757	0	0	742	2830	0	0	0	0	1916	0	0	0	0	0	0	0	0	7521	7590	717	0	0	0	0	1966	0	0	909	0	0	442	0	0	0	0	0	0	0	768	0	602	0	0	0	532	284	556836	0	0	0	0	0	378	676	796	448	1257	697413	238240	1651	44987	6393	0	8727	7812	0	0	297	843	770	0	0	765	0	0	0	747	Peptide	0.42105263	1.7894737	0.21052632
2	C19 H34 O8 N4	447.24493	447.24576	0.053897485	447.24496	2419	2144	1658	2121	942	14879	937	1880	638	344	1384	337	5475	1126	811	1424	807	9720	2346	0	0	1637	799	1064	958	0	0	26523	1247	767	455	765	1859	2000	477	899	7612	642	500	0	0	0	0	0	0	352	0	0	1026	534	1986	1744	710	0	956	0	0	1728	0	0	684	0	1573	1097	0	4421	665	652	0	0	0	2508	921	810	0	765	0	322	934	222633	477	0	0	0	301	364	2331	1458	418	1819	33011	17067	4097	15465	329	0	2009	2547	963	432	494	872	763	0	0	1152	663	0	563	5367	Peptide	0.42105263	1.7894737	0.21052632
6	C19 H34 O8 N4	447.24493	447.24554	-0.04613991	447.24493	25069	22931	21099	20161	455	20506	0	0	0	3811	19049	0	0	1882	0	832	0	2221	0	0	0	0	0	852	516	0	0	342108	811	606	1074	1243	2607	0	0	0	1927	0	0	0	0	2893	0	0	0	0	0	0	1373	0	24576	21579	0	0	553	0	0	1435	0	0	1953	0	1123	0	0	0	543	0	0	0	0	0	0	0	0	681	0	649	0	913639	0	0	0	0	0	0	598	699	0	0	1904932	707283	0	113524	18647	0	21013	21537	367	0	0	920	802	0	0	855	0	0	0	1016	Peptide	0.42105263	1.7894737	0.21052632
10	C24 H34 O6 N2	447.24896	447.2496	-0.11123151	447.2489	6851	5067	4272	5573	1689	2543	3688	7465	1269	3107	2493	5841	1601	1345	6352	7447	4768	1922	1911	9475	6413	8108	4185	12576	6558	3817	3071	3935	8490	6338	6954	7893	7628	6623	5037	7988	8251	4406	5946	7209	1337	3143	0	0	0	4572	3464	0	8418	5050	4300	5182	1815	0	1030	1653	1020	10935	0	0	0	2374	1269	1045	652	1469	3468	7624	0	6195	5342	6286	4909	5820	4076	4399	0	4800	4417	0	3499	800	0	3735	0	1009	3408	2971	2324	10833	22782	3692	19408	3226	10941	0	3726	3972	0	0	1009	9305	4359	7238	0	7958	0	0	5135	0	Lipid	0.25	1.4166666	0.083333336
8	C23 H34 O5 N4	447.2602	447.26074	-0.13030602	447.26013	0	0	0	1158	0	1425	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9404	0	0	0	961	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	84777	0	0	0	0	0	0	0	0	0	1362	49642	15432	0	3746	0	0	897	1047	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2173913	1.4782609	0.17391305
12	C23 H34 O5 N4	447.2602	447.26083	-0.25000173	447.26007	1752	0	0	0	0	3929	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28411	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	218770	0	0	0	0	0	0	0	0	0	0	192265	17012	0	16649	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2173913	1.4782609	0.17391305
10	C23 H34 O5 N4	447.2602	447.2606	-0.09740394	447.26016	0	0	2214	0	0	2670	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28839	0	0	0	0	1328	0	0	0	0	0	0	0	0	1789	0	0	0	0	0	0	0	0	2417	1363	0	0	0	0	0	1325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	204112	0	0	0	0	0	0	0	0	0	0	190209	30825	0	13286	0	0	1867	2443	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2173913	1.4782609	0.17391305
18	C26 H38 O6	447.2741	447.27463	-0.16164666	447.27405	16605	13156	21120	15777	14888	5324	26999	17838	11932	7719	8983	12551	4508	13254	17582	19160	41594	4899	18035	8098	7744	7948	11166	9213	17535	9615	25156	7728	15535	24388	19014	24478	23750	9076	7189	21711	15973	16849	46523	4536	12771	9913	0	0	0	4609	6321	0	22468	15764	15292	10237	12953	0	23370	16534	10931	24690	8613	14480	14858	3848	12055	13501	11899	9361	13234	50488	9630	4997	20273	7755	11021	18119	42372	16306	0	7693	28035	7539	14365	7626	13242	9195	26681	19009	36101	7412	13827	35911	13789	13630	16559	8810	7600	0	16942	12988	13284	26752	33818	24241	13178	9618	4330	15253	14602	0	21974	5377	Lipid	0.23076923	1.4615384	0.0
10	C20 H38 O7 N4	447.2813	447.28186	-0.00154095	447.2813	1960	2667	2223	1878	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14177	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2298	2941	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68721	0	0	0	0	0	0	0	0	0	0	268893	73188	0	7744	0	0	1538	1707	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35	1.9	0.2
8	C20 H38 O7 N4	447.2813	447.28192	-0.054778192	447.2813	1456	1385	1453	2683	0	1813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11001	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1117	1765	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	96249	0	0	0	0	0	0	0	0	0	0	218551	85140	0	8626	1237	0	1749	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35	1.9	0.2
6	C20 H38 O7 N4	447.2813	447.28195	-0.011403389	447.2813	744	1013	903	0	0	2154	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9368	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	545	890	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68085	0	0	0	0	0	1713	0	0	0	0	134698	41732	0	6996	0	0	1404	866	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35	1.9	0.2
12	C25 H38 O5 N2	447.28534	447.28586	-0.13838407	447.28528	0	0	0	0	0	0	2124	5941	0	0	0	5768	0	0	4576	2998	1901	0	0	0	0	0	0	0	1960	0	3564	0	7437	1422	6480	0	0	0	0	6637	0	2060	0	0	0	0	0	0	0	0	0	0	0	9669	0	0	0	0	0	0	0	1939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23421	0	1509	0	9405	0	0	0	0	0	0	0	0	0	0	0	4829	0	0	2131	0	0	0	0	0	0	0	0	0	8140	0	0	0	0	0	0	0	Lipid	0.2	1.52	0.08
14	C25 H38 O5 N2	447.28534	447.28577	-0.13329174	447.28528	3604	3784	6681	3549	0	0	6438	11544	0	0	0	10362	0	0	5221	8899	0	0	0	0	0	0	3068	0	0	0	16338	0	23271	122570	34526	42887	0	14445	0	62610	0	5700	0	0	0	0	0	0	0	0	0	0	5065	1937	3757	4671	0	0	0	0	0	3916	0	0	0	1327	0	0	0	0	0	0	0	0	0	5168	23041	102266	26896	70739	0	11667	0	0	0	0	0	0	0	0	0	0	0	3920	3760	0	2331	0	0	0	3518	5438	0	0	0	0	10194	0	0	1316	0	0	0	0	Lipid	0.2	1.52	0.08
24	C30 H38 O3	447.28937	447.2898	-0.19105487	447.28928	3216	6845	3569	5207	5093	1738	6440	3365	5227	0	2038	3563	0	5856	3615	9624	17026	0	4470	1684	0	1949	3224	4910	5554	4276	9540	2111	4505	6056	2092	4860	6299	1612	0	7484	4339	5832	17363	1422	3111	1963	0	0	0	1788	2143	0	2890	7904	5158	4326	5645	0	4884	6638	5272	5894	1924	4967	5634	0	1645	3449	3489	1556	2837	20633	2346	0	3439	1085	1000	4431	6914	5482	0	3454	8276	4784	9137	1850	4573	1198	15750	8268	16334	2069	2887	25931	5345	2710	9503	4397	2592	0	5510	3687	7105	15191	17664	9405	3591	4073	2083	5566	11219	0	9790	1999	Phytochemical	0.1	1.2666667	0.0
22	C22 H42 O7 N2	447.3065	447.30682	0.09282768	447.30652	2208	1436	0	2028	0	0	0	2391	0	0	0	0	0	0	0	10710	0	0	0	0	0	4599	0	6533	1852	0	0	0	0	0	0	0	0	0	0	0	0	0	1365	0	0	0	0	0	0	2295	0	0	0	0	1952	2364	0	0	0	0	0	9529	0	0	7314	0	0	0	0	0	0	3225	0	0	0	0	0	0	1127	0	0	0	6149	2071	1710	0	0	0	0	0	15905	0	0	23413	3318	0	10855	0	0	0	0	0	0	0	0	0	0	0	0	5282	0	0	3386	0	Lipid	0.3181818	1.9090909	0.09090909
22	C27 H42 O5	447.3105	447.3109	-0.22563915	447.3104	12801	13751	14584	14854	6833	6528	39154	11834	3794	0	6138	16392	2667	12776	12762	25910	70351	3374	5591	0	0	3461	11005	7088	18425	2233	40555	5508	23124	28422	17571	24310	15494	13641	0	36859	14979	13828	60017	0	3238	8243	0	0	0	2110	3708	0	19332	20936	13926	15991	5043	0	6456	7131	12905	25937	1552	7766	20006	0	4544	2951	18708	4182	13909	76362	1927	2448	0	6168	19696	27170	52893	27760	0	8950	19916	7554	9778	2778	13220	7683	11622	18171	42956	6676	11104	80963	14158	12074	18852	1903	0	0	13294	15956	7920	15232	18142	23601	14484	6178	1255	15270	11531	0	19689	0	Lipid	0.18518518	1.5555556	0.0
28	C27 H42 O5	447.3105	447.31094	-0.18703893	447.31042	31992	29742	31489	28207	23029	10206	119763	32096	18425	14519	30214	19973	16910	21735	24663	38426	44221	12515	37722	20758	10953	13244	16389	13303	44435	29177	83706	44850	48857	52574	31675	43950	172536	21514	23285	69097	159907	30175	47301	12709	15664	18318	1436	1720	0	12049	8157	0	43959	38172	30654	29752	20805	0	34918	27867	18279	43851	35640	12728	39949	21230	14558	22807	22216	29944	36543	60061	21161	13932	14426	10717	18167	80458	21988	39453	0	26966	33855	33718	16334	21625	26459	22917	51754	29738	72368	17706	18058	40122	32578	33225	21757	24321	9077	1649	30094	32351	19868	46675	62068	216504	24676	30098	34450	45204	38696	1463	31187	8584	Lipid	0.18518518	1.5555556	0.0
20	C27 H42 O5	447.3105	447.31094	-0.10391043	447.31046	1672	1984	3139	2195	0	0	8402	2720	0	0	0	1717	0	1681	0	5837	19146	0	0	0	0	0	0	0	2674	0	6543	1353	11441	3285	3369	5526	2973	1786	0	11347	1610	2270	16429	0	1769	1494	0	0	0	0	0	0	4928	4643	3724	1698	0	0	0	0	3134	4233	0	0	4204	0	0	1304	1854	0	2733	19941	0	0	0	2454	6787	8913	18268	11140	0	0	3737	0	1961	0	1066	0	2096	1858	11190	1614	2253	26497	0	0	3507	0	0	0	4478	1696	0	1266	5775	3608	1927	0	0	3123	2502	0	5270	0	Lipid	0.18518518	1.5555556	0.0
26	C28 H46 O4	447.3469	447.34717	-0.20707025	447.3468	4855	6540	4069	4734	0	3463	66107	9723	0	0	3968	4801	0	11030	0	7502	24183	0	0	0	0	0	0	0	7291	5459	56239	9939	8776	16111	6114	7693	4474	5388	0	16119	2667	5069	18747	0	3794	0	0	0	0	0	0	0	6708	14148	3529	5347	2420	0	0	0	5666	7225	0	6020	13980	0	2028	0	11071	1375	6398	24085	0	0	2645	2909	6723	26180	12099	13073	0	4696	3960	5472	2549	4717	3840	6013	0	0	20351	0	0	17525	4841	2601	0	0	0	0	5028	0	5999	1874	0	10301	4750	0	0	3435	0	0	6018	0	Lipid	0.14285715	1.6428572	0.0
28	C28 H46 O4	447.3469	447.34732	-0.17597066	447.3468	3700	2483	2820	3138	1532	1905	40665	5538	1124	1030	8731	2267	0	6230	3318	4048	9778	0	1891	0	0	977	3185	2083	4611	6319	34744	8877	7010	8978	3663	4931	3012	2508	0	8243	3101	5350	8554	1134	1095	0	0	1370	0	0	2583	0	3011	8755	2725	2209	1445	0	0	4429	4116	2612	5367	2260	10598	1888	2157	1294	9222	1660	4527	9747	5486	1684	1432	1547	2904	11100	6376	5766	0	2080	6640	8891	2684	5333	4082	5881	3889	2976	18315	1317	2137	8125	4609	1958	3333	4367	0	0	3967	3107	3652	4148	3657	5441	3026	5414	5986	3006	3389	0	5916	0	Lipid	0.14285715	1.6428572	0.0
28	C19 H13 O12 N1	448.05106	448.0515	-0.02422265	448.05103	3408	4428	3035	4331	7653	7522	945	0	7773	2176	0	1385	14819	3860	0	0	0	13155	13797	0	2443	7509	3433	0	0	0	1295	0	0	0	0	0	2207	0	2892	0	1703	1495	1466	1816	2870	2802	0	0	0	0	4881	0	1166	0	3813	4984	7328	0	12776	6631	2127	2192	1052	1536	2000	0	20440	9230	2708	12005	3516	856	0	0	0	0	0	0	0	0	0	0	6767	4356	5063	1091	0	0	12933	6296	5282	3629	4440	2635	0	1307	2955	6735	5831	0	3898	4566	3604	8124	9146	0	0	0	0	1498	3481	0	1230	22255	Phytochemical	0.6315789	0.68421054	0.05263158
26	C19 H13 O12 N1	448.05106	448.05154	-0.08374225	448.05103	6103	5221	3371	5322	7698	7615	0	0	10572	1752	0	0	18610	6445	0	0	0	22324	19917	0	0	7519	0	0	0	0	1848	0	0	0	0	0	0	0	2034	0	4309	0	0	0	0	0	0	0	0	0	0	0	0	0	3697	5126	5427	0	12732	6889	4195	0	0	0	0	0	24181	10906	0	10521	4687	0	0	0	0	0	0	0	0	0	0	0	9681	0	6288	0	0	0	13039	7962	3754	5360	6194	0	0	0	4929	5636	5556	0	4147	0	5163	5938	7847	0	0	0	0	2065	7806	0	0	28023	Phytochemical	0.6315789	0.68421054	0.05263158
18	C20 H17 O11 N1	448.08743	448.088	-0.04070258	448.08743	24314	26104	24325	18316	33851	18259	6391	5502	36658	50046	23875	4547	79498	14452	10319	8674	6644	42215	47575	38810	57649	82980	18329	8591	3094	4278	5401	9140	7226	3757	3451	0	8105	0	73547	2489	8318	8904	6990	31727	42822	11591	1498	0	0	42765	71799	692	5851	3207	24225	20799	23948	525	59145	39978	17737	7504	9089	7064	12204	34636	79164	48318	16950	53219	16189	5604	11735	13747	19109	6608	3412	0	2250	0	389	4640	19444	59402	14473	35944	6388	12832	39932	18487	16577	16290	14047	7313	9031	18765	18226	84450	91972	0	24054	22518	26416	36675	37036	7227	3206	8125	39362	7159	23386	0	9125	62366	Phytochemical	0.55	0.85	0.05
20	C20 H17 O11 N1	448.08743	448.08798	-0.040012114	448.08743	18139	14975	12677	10967	23916	13928	3711	2696	24586	28917	14491	4301	48638	10196	8645	5503	4207	30457	25944	22717	41145	65148	13267	4822	5868	3862	1780	2129	5457	1964	2123	1948	6313	2135	45113	0	6793	7858	3961	21425	26586	10195	891	0	466	31247	46431	1166	2085	1269	14950	9983	19314	340	34506	25451	12356	7489	4691	4480	3218	18436	48955	29146	8829	28765	10769	3389	7643	9414	6182	1866	1258	0	2670	0	472	3029	12551	36671	9752	21417	1997	9252	34253	15737	12347	11361	9510	9362	6122	10893	6812	52847	53639	0	14152	16331	16275	21023	28248	7012	2302	5448	29638	4370	17797	0	3974	51205	Phytochemical	0.55	0.85	0.05
22	C20 H17 O11 N1	448.08743	448.08798	-0.06839405	448.0874	5638	8629	7694	9409	13464	6816	3017	1969	18887	22013	6504	3220	30117	5268	4206	2224	2514	18104	14428	7090	16678	29991	5099	2238	2709	0	1062	2586	2192	0	0	0	2990	0	18454	1665	3868	2805	0	9742	11911	4768	0	0	492	19782	31851	0	2097	1187	11847	10648	10313	0	21836	16721	6999	1917	3812	2004	0	14279	36716	16770	4608	22849	6636	1567	2494	2427	5151	0	0	0	1487	0	919	1673	10615	19844	5993	15579	0	4679	23310	8794	8642	5333	7343	2759	3241	3725	7011	42467	40467	0	7595	7173	9128	14844	13309	3419	1721	2245	19485	3145	13933	0	2740	27001	Phytochemical	0.55	0.85	0.05
26	C20 H17 O11 N1	448.08743	448.08795	-0.092601664	448.0874	6094	5354	4226	6777	6695	7216	0	0	10931	13192	2125	0	17965	4546	0	0	0	17059	17109	5846	7297	15260	0	0	0	0	0	0	0	0	0	0	0	0	10610	0	2514	0	0	3143	5002	0	0	0	0	6789	16597	0	0	0	6064	4122	6433	0	11213	9550	3000	0	0	0	0	4554	22857	10449	0	9729	2635	0	0	2193	4595	0	0	0	0	0	0	0	4764	8330	4351	5643	0	2143	14026	8236	3906	3168	3292	0	1725	1987	4212	16361	23282	0	3636	0	2989	4635	6820	0	0	0	7335	1680	0	0	0	22816	Phytochemical	0.55	0.85	0.05
16	C20 H17 O11 N1	448.08743	448.088	-0.004367518	448.08743	35422	30190	29379	33232	38993	19777	4636	3220	48095	64136	33231	7242	81051	14834	10218	7843	7633	51938	37211	47611	82572	95698	15579	10254	4698	4953	4850	13717	4371	2980	2408	5470	12498	3736	94197	2252	12501	7664	8901	46721	66422	15196	974	0	0	47524	99475	465	5670	4281	28919	34252	23349	0	55185	42381	18599	9710	6547	8127	9452	47222	84747	49234	17158	49631	18225	8078	26686	12728	30895	8251	3444	0	4669	3053	0	5665	24734	71715	13853	50342	2928	15148	53318	20862	17273	20213	16710	0	11533	24862	0	99341	98526	0	29454	30289	34976	45372	40318	10418	5771	7420	47932	14163	37073	335	5534	73797	Phytochemical	0.55	0.85	0.05
28	C20 H17 O11 N1	448.08743	448.08792	-0.093396954	448.0874	6354	5990	5480	6893	7873	6595	802	0	14081	13337	3307	1304	20653	3924	3552	3168	0	17923	12749	6353	11799	17978	3920	2995	2301	0	0	0	0	0	2404	0	1833	0	13528	0	3083	2173	0	6176	7846	2302	0	0	0	7586	17562	0	1593	0	6751	6023	7521	0	15726	6900	3418	1999	3414	0	0	6279	23394	13268	3986	10140	4228	1549	2865	3560	2715	0	0	0	0	0	0	1513	6449	10232	4114	5553	1406	2250	10999	4735	3181	2928	4717	2215	1677	1871	5130	17441	21321	0	6153	7123	4388	5733	5811	2235	2121	0	7882	1899	5337	0	2440	23734	Phytochemical	0.55	0.85	0.05
24	C20 H17 O11 N1	448.08743	448.088	0.023236455	448.08743	5308	6722	5237	7644	9960	8155	0	1833	14926	10432	2650	1876	15948	4477	2575	0	0	21344	11007	6618	11764	24484	6977	2446	1262	0	0	0	0	0	1170	0	1483	0	11223	1374	3888	1343	2172	3090	9421	2104	0	0	0	9703	19372	0	0	0	7373	5454	8398	0	20898	13561	3231	1481	1970	0	1660	7791	21045	12737	4831	12859	2629	0	2742	2482	3316	1431	980	0	1213	0	0	1895	5939	14649	5429	9102	0	2914	14979	7809	6537	3169	2881	2453	1614	1905	6260	22872	27954	0	7399	6680	7977	8271	6752	3127	1721	1373	10214	2014	9102	0	2314	29050	Phytochemical	0.55	0.85	0.05
10	C20 H17 O11 N1	448.08743	448.0882	0.114789814	448.0875	7104	9223	8580	7049	14028	6457	1079	1626	15236	24850	11990	3146	26123	2695	998	2158	2440	13061	10849	10602	25401	22127	2611	2347	0	1235	0	0	1130	0	1174	0	4578	1220	29954	0	1521	2437	2159	11478	21312	3579	0	0	0	6984	31467	0	1635	0	6827	6438	6806	0	18360	14859	4397	1245	2357	2983	0	10257	28602	18649	5367	16084	3751	3138	14521	2794	9358	0	961	0	1256	1128	0	1318	5568	7860	2663	10577	0	1836	15509	5078	5175	4827	4240	3988	0	4463	4396	31766	17280	0	6098	7016	11990	15727	15499	3152	1365	0	14360	2714	10193	0	1444	24938	Phytochemical	0.55	0.85	0.05
12	C20 H17 O11 N1	448.08743	448.0881	-0.004919298	448.08743	17060	14854	18147	17295	22849	10224	3365	1762	30640	39653	35262	5102	44540	6350	5852	5309	3673	21262	30084	36305	43700	58490	8332	0	1085	3404	5231	8540	3300	1541	1983	1717	7642	2040	75261	1035	5713	6937	3890	26814	73708	8450	565	0	0	29048	61786	0	2018	3934	13152	17525	12929	0	36572	25469	10653	5752	0	8282	0	27524	70720	27562	7832	33382	8375	7339	17472	8531	20941	0	2213	0	2322	1594	0	2209	10257	27284	9178	27154	2227	7967	33532	11851	10247	8585	10059	14536	0	4053	11326	76161	40292	0	16610	16213	26529	36630	24971	6022	3796	4014	27507	8565	21265	0	4582	49936	Phytochemical	0.55	0.85	0.05
8	C17 H21 O13 N1	448.10855	448.10938	0.026488965	448.10858	4668	5637	5523	6329	15735	3869	0	3210	13986	0	4148	4675	37332	2964	2753	3733	4987	17745	21354	3216	6843	5562	6469	0	0	0	1701	0	1434	1306	0	1082	3549	1521	0	1686	2617	2815	2111	0	3996	9469	0	0	0	0	5123	0	2277	2495	4583	5593	9029	0	18075	27395	8936	0	1121	3584	0	0	37161	17986	8088	14867	3812	3846	0	0	0	1660	1119	1200	3939	1169	0	1729	3770	0	4228	0	0	0	27662	6818	3229	7860	6883	4122	0	0	5214	7468	6490	0	6301	8907	18415	27314	28471	5237	3047	2153	0	2542	20025	0	1271	29081	Phytochemical	0.7647059	1.2352941	0.05882353
28	C17 H21 O13 N1	448.10855	448.1091	-0.08596893	448.10852	3029	2652	2765	2684	4901	4986	0	0	6090	2342	4146	2038	4738	1714	0	0	0	7916	4843	3645	11073	1639	0	0	0	0	0	0	0	0	0	875	1578	0	5020	0	0	0	0	0	6806	3779	0	0	0	4729	25886	0	0	0	3401	3717	2855	0	5863	4243	2118	0	1580	1295	0	6740	8293	5398	1601	0	2497	0	3825	0	4406	1634	0	0	0	0	0	2132	0	0	0	7521	0	0	3551	0	813	985	2358	0	0	0	0	3764	0	0	0	2723	6745	0	0	3003	1545	0	17840	1753	3906	0	0	11118	Phytochemical	0.7647059	1.2352941	0.05882353
20	C21 H21 O10 N1	448.1238	448.12433	-0.10433545	448.12378	43504	44873	45425	44179	47041	33561	11525	17474	59214	155559	61862	15472	88886	26752	24866	20977	12546	64877	62118	89405	106987	116790	27185	21498	18923	53016	10650	29762	13551	16376	13288	13739	23595	10052	160387	10334	28307	16003	9715	86295	68149	20844	2493	0	415	105524	121662	752	17369	13340	42874	40289	33750	493	67347	48867	26234	16194	19636	12675	27368	59343	77817	55246	23850	58482	28897	9275	53398	69007	67920	13560	11443	9164	10138	9743	562	16376	30802	61929	25925	70518	16544	62338	59345	36550	34579	23975	24061	20156	27877	41911	34182	96308	117991	616	42429	53806	42403	38628	42703	25056	12303	24987	78249	18039	43341	789	16805	89455	Phytochemical	0.47619048	1.0	0.04761905
10	C21 H21 O10 N1	448.1238	448.12448	-0.03839404	448.1238	47635	38846	37526	40581	34701	24196	15690	21971	46628	136575	81318	15966	67111	16956	14942	25450	19298	45969	49358	94628	123032	104066	25648	26669	11797	43171	17138	39301	19816	17176	18611	17408	32124	20743	171305	17341	27396	17221	25494	84238	109626	19176	840	0	0	71461	114548	0	21472	21831	50399	41799	25656	0	55305	32079	18411	28505	17755	28016	21910	65407	72753	46551	15619	46120	19632	25093	78239	64898	97159	19172	16997	14231	17630	16279	0	13883	32269	40754	23036	55584	12415	36827	41417	18529	22355	17118	18942	32984	29057	29269	37459	82413	94316	0	47572	42537	36470	37687	34448	24786	15716	31605	58364	25135	30552	0	14630	74252	Phytochemical	0.47619048	1.0	0.04761905
26	C21 H21 O10 N1	448.1238	448.1243	-0.11376762	448.12378	9310	6276	6559	5992	7365	5250	0	0	7848	23179	4888	0	10904	3700	0	5203	0	15459	6650	10490	14981	14770	0	0	0	8699	0	2399	0	0	0	0	3289	0	20530	0	1797	0	0	8820	8440	0	0	0	0	13119	15687	0	2097	0	6750	5830	3746	0	10858	5702	0	1992	0	0	0	5830	14129	7990	0	8465	2844	0	0	8626	10142	0	0	0	0	0	0	0	3582	7126	2602	7509	0	4075	9819	8272	2870	0	2386	3138	2277	5069	4927	16479	22800	0	5431	5238	3487	6295	5399	0	0	0	8194	3208	0	0	2512	15809	Phytochemical	0.47619048	1.0	0.04761905
28	C21 H21 O10 N1	448.1238	448.12424	-0.16402018	448.12375	5328	5319	5345	5227	3912	4268	1877	0	4420	20597	6510	2044	9112	2645	2284	3064	0	6445	8548	10080	14245	10701	0	4960	3330	4590	1856	3583	0	0	0	1429	2533	1808	16823	0	3335	2363	2246	9240	7537	0	0	0	0	11474	12902	0	2468	0	5230	5587	4064	0	7464	3210	2654	3929	2130	1372	2311	5377	9617	5898	2366	4339	3947	1761	8092	10508	11738	1985	1298	0	0	1098	0	0	3547	6427	3363	6779	2901	4272	6595	3569	3426	2743	1983	2519	4766	4360	4962	8003	18753	0	3390	4750	4385	3469	4371	1886	1558	2580	9839	2461	3203	0	2175	10373	Phytochemical	0.47619048	1.0	0.04761905
22	C21 H21 O10 N1	448.1238	448.12433	-0.12635057	448.12378	25651	16926	14764	20474	23947	16255	5674	6398	30062	73439	24286	5953	38762	15303	8613	8839	4589	38157	29347	30934	49059	54677	13214	11360	10000	22120	4944	14402	5233	3648	5512	5469	9551	4659	72766	3234	8961	8213	3539	33312	30280	10880	0	0	740	40491	60290	0	6342	5739	16623	19758	17724	662	35723	22385	11483	7720	8508	4982	8652	27864	42039	28316	9121	25512	15645	2787	30368	32823	33020	5265	3966	2762	2827	4362	700	6742	14484	39397	11010	39847	2869	16532	27216	14341	14885	9789	12606	5768	10258	11543	16128	51872	75643	0	15672	23433	18613	23657	23553	8742	5510	11637	35788	10085	23854	0	8389	48799	Phytochemical	0.47619048	1.0	0.04761905
12	C21 H21 O10 N1	448.1238	448.12445	-0.047601502	448.1238	66858	125141	64517	64821	167397	128924	29636	109871	194611	293778	123333	28280	208954	27408	78279	132543	121234	140890	178693	161008	341211	166774	109409	40120	64186	99433	23495	72278	80305	26632	30492	29037	114612	26465	468877	73274	90918	88673	131875	206552	194496	77669	949	0	0	141907	177140	0	30455	35325	62387	73637	126327	0	102731	161761	130019	114561	45851	45029	37479	132237	275730	156116	64323	89331	114572	37812	141955	181870	294751	79632	26336	72012	70352	84232	0	76231	47965	69960	117175	214888	68691	136790	123797	35337	46752	85032	90191	57325	40512	211057	139951	144135	231729	0	150274	70814	122484	84056	106767	36992	23468	40425	235113	42279	56498	0	85945	244154	Phytochemical	0.47619048	1.0	0.04761905
24	C21 H21 O10 N1	448.1238	448.1243	-0.12513535	448.12378	8853	9266	11538	9916	12284	8389	1208	3001	13306	32167	11656	4415	20977	12387	4701	3579	1959	14680	12790	20122	18218	21488	6139	3963	3258	9276	0	4876	1969	1547	1634	0	3193	2377	31858	2818	6130	2124	2897	15253	15924	2888	0	0	0	19615	32900	0	2926	2097	7892	6757	7168	0	16837	14323	4497	3339	1442	1766	2991	11462	16484	15469	12770	15109	5122	1670	13133	12360	17387	2428	0	0	1419	1364	0	1560	9072	15710	7014	12373	2045	8767	16121	5812	4087	4168	5507	0	5365	8215	3482	23392	38429	0	8928	7371	6281	11674	11325	3059	2643	3607	18078	2944	7904	0	3610	21901	Phytochemical	0.47619048	1.0	0.04761905
6	C21 H21 O10 N1	448.1238	448.12457	-0.037158437	448.1238	8551	10048	9317	7418	8044	4530	2339	3216	11559	24933	17072	3292	18042	2839	2738	7134	3901	9681	11056	13702	30926	18353	5390	4123	805	4023	1508	4747	2809	2910	2210	2770	6529	1886	29110	1459	3399	2901	4839	9251	23172	4687	0	0	0	10035	24762	0	3375	3276	7403	7751	5917	0	13773	10340	3848	4491	3240	5410	4838	8971	18195	12172	2744	8467	5872	5458	10241	10181	17327	2603	3710	1979	0	2838	0	2742	5858	5593	4594	8975	2273	4075	9489	5203	5449	5178	4762	8966	0	4936	8109	17482	16459	0	6226	8190	8866	12488	14053	4209	2478	5727	7451	3472	7666	0	2941	18155	Phytochemical	0.47619048	1.0	0.04761905
8	C21 H21 O10 N1	448.1238	448.1245	-0.07783029	448.12378	22305	24464	16156	21092	20271	9467	6391	9355	25835	66628	50652	9859	42043	7421	8500	12521	11730	20904	22283	48066	63551	52560	12529	15754	3260	15148	8380	17550	9567	8628	6951	11126	12227	7252	95634	6754	10353	8178	15490	36661	54156	9305	0	0	0	30986	64951	0	11552	11104	19220	22605	12070	0	31891	21016	9023	13632	9739	17367	13727	31617	42268	26055	9223	26451	12475	13219	32475	25577	56545	11810	8562	6519	6352	9889	0	8263	17296	18772	12892	24501	7761	16075	23359	9394	11885	11821	13812	21443	0	13139	21498	39559	48206	0	25639	19739	19882	28902	23465	12870	8338	14240	24823	10646	20345	0	8391	31414	Phytochemical	0.47619048	1.0	0.04761905
18	C21 H21 O10 N1	448.1238	448.12436	-0.08885466	448.12378	89164	70776	74130	72010	80540	60855	21465	32273	77008	269095	111813	24875	136306	39508	36962	38395	21546	123261	103263	174287	193613	175791	39330	46168	33355	79968	21154	76103	30004	24777	23660	29950	46221	26256	298769	30741	48971	25975	21597	173127	104669	38080	3713	339	0	156933	169318	768	27512	27022	74393	85845	55562	387	108235	78118	36028	39255	35157	24007	45364	117457	149324	77989	37592	96528	48224	21036	96143	125722	110795	25900	17743	17143	20070	28201	469	25877	48718	120903	38831	123637	30010	83738	86042	50594	36827	40440	39084	39217	52426	77831	71124	142004	234077	790	78056	80854	66140	55492	72297	48417	22660	41778	104070	33188	52958	0	27674	126337	Phytochemical	0.47619048	1.0	0.04761905
8	C20 H21 O9 N3	448.13507	448.1357	-0.0761138	448.135	32572	34619	29065	36302	23950	12789	14293	28251	27082	34158	29706	20705	37224	7075	0	30634	27309	26479	0	34790	45800	59283	0	0	11641	5607	15077	12525	20200	21758	19290	25675	28689	21619	50296	19261	26459	17766	36432	46980	62122	0	0	0	0	46223	67839	0	28616	24097	35793	32652	16500	0	30028	21052	0	23770	21452	29134	28204	36872	0	29598	16563	31226	17978	35856	18561	19563	27943	25216	20289	19792	0	20825	0	18431	27671	18539	20404	27646	18764	21540	25513	11925	27050	25563	18877	48045	15865	36668	48755	39210	36975	0	30889	36132	0	0	26238	30605	18899	33424	20930	32044	15975	0	15785	41082	Peptide	0.45	1.05	0.15
6	C20 H21 O9 N3	448.13507	448.1358	-0.047922023	448.13504	19061	20313	13170	18943	11546	8961	7915	14644	16246	19549	17275	11345	20309	5113	10802	16729	15816	17196	17589	15475	28670	25951	13873	19922	6109	3259	6566	7131	12657	11929	11686	15003	16847	13342	28783	11884	16092	10889	18897	17150	33472	10655	0	0	0	21481	43949	0	13063	13191	18007	18216	9823	0	21094	12325	9991	18920	10509	14957	17514	18916	26909	19250	7474	20066	13623	22701	7578	9166	18905	13207	10358	11314	8260	10474	0	8199	14667	9280	10536	13271	6315	8352	13557	9387	11525	12893	12496	31833	5493	14395	22986	17960	16116	0	16207	15335	0	16390	0	15660	8801	14076	22191	14830	12117	0	10034	26366	Peptide	0.45	1.05	0.15
12	C20 H21 O9 N3	448.13507	448.13553	-0.06617118	448.13504	33893	33843	36267	33176	19600	16758	22535	33054	27602	34166	27682	0	29319	7153	0	27688	36303	34028	35330	32421	46253	66367	31550	31166	20805	8624	0	14027	0	0	0	26510	33311	20429	49003	20818	26616	0	0	44436	0	15325	375	0	0	51461	59881	0	28635	21600	33822	33424	22306	0	33665	20604	0	0	40335	31945	27302	37347	38210	29965	11935	30814	21382	39244	28624	24604	0	0	25235	0	0	0	0	23503	32595	28650	0	34157	0	18296	23498	15675	0	19228	20817	65968	19530	40614	0	36872	26773	0	0	34484	20350	21424	19305	30912	0	0	41598	0	0	0	22120	38080	Peptide	0.45	1.05	0.15
10	C20 H21 O9 N3	448.13507	448.13562	-0.06461168	448.13504	35986	0	0	33395	0	0	18976	0	0	0	26230	26577	41184	10334	21508	35920	30757	33313	42017	0	50393	0	0	0	18316	8865	21862	15766	25362	0	27881	29794	36677	23341	62960	0	37112	0	0	56439	57764	16515	0	0	0	44414	0	0	29065	25468	0	41340	0	0	37240	20332	17101	0	23280	33077	33650	0	42566	31238	17405	0	24521	0	21330	21927	24901	30690	29573	20346	24596	25500	0	0	35744	23818	0	34573	19612	17540	25952	17922	38465	0	20745	63989	32830	38054	71840	0	41932	0	34926	39074	17905	25171	24661	0	21878	42230	46855	34270	18248	0	22846	0	Peptide	0.45	1.05	0.15
22	C25 H21 O7 N1	448.13907	448.13962	-0.075487204	448.13904	1597	2539	1403	2788	1404	0	0	0	1269	8373	13916	0	0	0	0	0	0	0	1685	6506	3045	3916	0	0	0	17455	0	8849	1306	0	0	0	0	0	6491	0	0	0	0	6226	14093	0	0	0	0	3457	12087	0	0	0	1547	2631	0	0	0	0	0	0	0	0	0	3852	1765	1160	0	0	1650	2429	21287	10053	27120	1441	0	0	0	0	0	0	0	3997	0	3344	0	6033	0	0	2209	0	1200	1268	0	0	0	6068	5556	0	1852	0	0	1906	0	0	0	2475	2777	0	1495	0	0	0	Phytochemical	0.28	0.84	0.04
20	C25 H21 O7 N1	448.13907	448.13968	-0.14796017	448.139	0	3323	1636	2434	0	0	0	0	2538	6186	10877	0	0	0	0	0	0	3399	2326	5123	6602	2266	0	0	0	16987	0	13182	0	0	0	0	1669	0	11837	1537	0	0	1631	6305	13118	0	0	0	0	2534	10739	0	0	0	0	2919	2166	0	0	1703	0	0	0	1466	1938	5988	0	0	0	0	1571	1791	25339	23283	30371	0	0	0	0	0	0	0	2463	8149	0	3630	0	0	0	0	0	1474	0	1699	0	2359	0	4754	6052	0	3645	4819	0	0	1738	0	0	0	5762	0	0	0	0	0	Phytochemical	0.28	0.84	0.04
22	C18 H25 O12 N1	448.14496	448.14554	-0.090725824	448.1449	12705	11307	12520	9675	9327	5485	1530	10322	11111	21849	21785	5654	15754	0	6042	9412	6565	6817	5779	22708	28748	18851	10270	7832	6907	29271	2874	15970	9615	6662	2514	0	7005	5060	25694	5025	8738	6241	5144	24664	22206	6595	0	0	447	29755	46256	0	4388	7965	15196	10359	10127	0	8712	9858	4921	5903	4812	7544	5530	22718	9153	11925	4250	10368	5029	5072	12122	25443	26787	7494	6960	7754	5491	4885	490	3698	3128	18211	5315	15051	2915	21510	13253	4516	6838	9625	7524	6780	6821	23133	10445	15999	19923	0	9568	13387	15278	7743	5667	6394	4283	9648	25031	6061	11679	0	0	15961	Unclassified	0.6666667	1.3888888	0.055555556
18	C18 H25 O12 N1	448.14496	448.14545	-0.117199324	448.1449	57681	55245	49055	39847	61408	48678	23061	49822	84104	71432	58702	37293	112973	22131	51292	30056	30187	102153	91745	78602	126224	68002	56303	47920	14159	28113	18380	20526	37059	32640	41559	26675	51240	31349	68423	43760	39179	34063	28973	86155	65495	37072	2891	676	473	91007	130729	479	35058	52124	50731	47393	57622	0	142114	60366	33478	34346	40978	32192	45164	75149	102504	83425	30034	64562	41850	20275	57887	44537	63540	35114	35050	49192	32853	29921	278	42628	38913	53520	31611	79354	19860	30901	71149	42957	32750	30090	42531	24019	31494	50943	48779	48367	73260	762	37170	49239	53425	38556	35324	51626	32529	42463	85980	35192	54835	481	18461	96087	Unclassified	0.6666667	1.3888888	0.055555556
14	C18 H25 O12 N1	448.14496	448.14554	-0.096807346	448.1449	100876	95486	76969	98379	111260	118346	48316	110916	229999	113149	92719	66494	323273	57173	123057	83450	91767	281184	227001	170323	217060	148414	137516	105826	48024	34303	34467	41346	80537	87588	59172	59313	117771	52069	154974	81907	83272	88311	54955	86947	76401	107983	3540	344	308	140653	215807	438	51573	86854	83951	89556	116946	419	405291	172902	73914	64954	121468	72618	114627	124493	254720	234412	64543	139502	116554	70106	101226	83968	78042	61757	58353	80670	71564	63202	351	74906	73154	125257	69218	114425	32518	54113	167598	95732	51640	72813	86090	32714	39703	62420	111794	139698	98383	880	80264	132276	130177	100110	123116	116682	79622	91443	208331	68695	139866	0	36361	251072	Unclassified	0.6666667	1.3888888	0.055555556
24	C18 H25 O12 N1	448.14496	448.14545	-0.15070821	448.1449	3102	2762	2789	5124	2048	3563	0	3027	2764	8530	4092	2917	3947	0	4260	2080	0	5981	4752	6642	10669	3617	3189	2106	0	10237	0	5640	2037	0	2595	2393	1439	2342	8209	0	1279	1878	1921	3682	4382	0	0	0	0	3992	20540	0	2601	3454	3897	2339	2535	0	4425	2264	1881	0	2301	2854	0	5126	2374	2855	0	1663	3567	0	13861	5759	6549	2290	2690	3175	2468	2237	0	3315	0	2006	1312	6903	0	2528	5007	0	0	2528	0	0	2804	0	3125	0	0	0	3207	4226	4984	1212	0	0	0	4219	9729	994	2789	0	0	3861	Unclassified	0.6666667	1.3888888	0.055555556
16	C18 H25 O12 N1	448.14496	448.14548	-0.1429416	448.1449	94235	76112	92331	94603	95977	84816	32746	82514	161451	126966	91301	55914	257348	45886	89801	70007	57369	215859	187526	158980	198505	105114	118765	78230	32037	55204	30221	37348	69900	64066	63400	62870	74967	46014	138381	68879	71114	60555	46916	88599	105412	79300	4005	631	623	131864	227998	583	55835	84111	84815	80381	93844	478	272925	116701	58748	49401	78105	41109	57480	105541	189010	162177	46919	107891	90275	37667	102000	98279	122766	58239	57574	65490	54088	47712	384	65140	54593	109550	60135	104846	28277	57383	122932	68571	51344	59795	73820	32568	32994	56593	90951	97441	128520	690	94254	114777	112367	68043	80728	113010	59825	70031	153957	56499	111046	471	26212	207579	Unclassified	0.6666667	1.3888888	0.055555556
8	C22 H25 O9 N1	448.16022	448.1609	-0.11047005	448.16016	48948	41581	37969	44159	24505	19630	17168	31737	32575	124406	66691	18854	48876	13751	22457	33297	24139	32646	43612	95892	112320	75162	25471	33976	15826	41600	16535	52632	25121	23967	23407	29857	28317	21963	172630	22772	29465	20291	30423	76898	168790	19830	560	0	0	62175	76686	0	27411	27093	39522	41751	20636	0	41670	23107	15947	27572	19339	25396	31938	49426	44705	34950	12070	36086	23141	29680	57389	76475	99890	28230	25163	21325	18623	23276	0	18407	29792	39867	22865	33690	21740	44255	26863	13618	24212	17875	19396	78072	35788	37741	45976	59098	79967	0	46134	45022	27548	26039	24734	28298	15766	41931	32588	25877	21874	0	18664	47394	Phytochemical	0.4090909	1.1363636	0.045454547
20	C22 H25 O9 N1	448.16022	448.1607	-0.10153542	448.16016	99697	88096	103044	89807	94259	73535	37238	65301	97211	305646	142669	39582	134649	61558	55104	68419	37334	130868	129006	258443	259534	176626	55919	82841	60597	206274	42329	125426	67176	46711	47033	57203	69399	56985	340587	52180	84161	44085	35701	206468	127709	53818	5230	670	299	149961	155585	0	57199	55685	91282	86350	72559	519	112658	79126	46156	76550	57307	34802	60807	141998	136982	92103	38937	105655	66434	35961	181521	248426	215639	57514	51739	43534	37556	49684	651	42068	67846	88005	52130	101429	48934	129437	92933	58925	58171	52325	54519	55488	79139	101512	109646	108586	181786	783	110761	107919	72688	71065	76228	75601	39604	81645	114169	73874	67454	761	40695	133330	Phytochemical	0.4090909	1.1363636	0.045454547
10	C22 H25 O9 N1	448.16022	448.16083	-0.085791685	448.16016	74576	70468	70077	61628	44214	32902	36888	54441	56249	213239	91946	34996	64779	31727	39782	49906	38107	53658	61307	171407	188882	114744	46484	65502	33289	86471	36521	64637	42922	45550	45458	52410	58597	46120	235095	40956	50897	33788	46215	147989	123762	30805	1109	0	0	101225	98986	0	50119	44104	74462	74984	34297	0	66144	34622	19025	62004	50178	49513	58255	83902	69858	49489	23943	49019	33912	52143	101110	141592	144101	48030	42138	42958	37088	35108	0	32438	47743	62651	40282	68792	41513	70670	45481	22070	46180	28695	34926	67707	53264	72207	80354	83876	121287	0	70205	72181	33985	37232	35753	54222	32457	74822	60097	46578	32148	0	36135	68385	Phytochemical	0.4090909	1.1363636	0.045454547
26	C22 H25 O9 N1	448.16022	448.16064	-0.17715442	448.16013	7753	6485	7528	7133	7846	6438	0	0	10854	25470	7434	0	16889	2274	7054	0	0	14589	10437	14986	21003	12072	4851	7907	0	17318	0	6171	0	0	4149	0	3261	4888	22867	0	7348	3446	2484	14936	15074	0	0	0	0	8197	17158	0	4557	0	11589	7267	7381	0	12115	10822	3536	5634	2998	0	5842	8310	13113	8009	0	11130	3652	2437	22625	31013	35802	4270	3098	0	0	2433	0	0	6601	5623	6384	7578	3456	7248	10902	0	5717	5242	4231	3988	4274	8574	11062	12948	22837	0	11176	8161	6004	7028	6317	0	2963	5142	6947	4383	5994	0	2690	16416	Phytochemical	0.4090909	1.1363636	0.045454547
22	C22 H25 O9 N1	448.16022	448.1607	-0.1326262	448.16016	46950	42263	45778	45950	43675	39856	13894	24227	47351	128117	69039	16079	53745	32849	21697	36417	19427	70215	55726	103726	114271	74442	30846	32403	23467	100300	14478	51670	21555	18219	19457	17192	28511	22316	136421	23128	28298	22413	14011	81502	54979	20064	0	0	650	86758	80572	0	24719	19442	45458	46911	35524	782	48445	38288	23460	34930	23439	15877	30043	61829	61184	44605	13374	50713	31086	21799	90830	124745	126478	25818	18414	15742	15790	17051	751	16413	30212	41644	26707	60498	24519	45906	57013	30429	30781	26010	26331	24099	35234	42209	45035	52741	88243	0	39195	46852	34665	36634	37088	30233	17681	28029	51361	31464	39689	0	22519	69635	Phytochemical	0.4090909	1.1363636	0.045454547
12	C22 H25 O9 N1	448.16022	448.16083	-0.08510088	448.16016	109765	95181	99054	99756	62136	49794	65539	90210	78775	271990	141343	58663	84915	39094	62416	82124	76509	92168	103405	240234	252945	220204	78541	106887	61538	151539	55349	112642	84092	71546	79579	80239	95288	68116	368705	73894	79014	60254	75704	435718	212290	46974	1371	0	0	153846	167296	0	82711	82615	105840	101274	60181	265	100052	53459	34561	94883	82813	90604	83299	131997	107616	70388	29665	90176	53026	79935	173407	229741	231871	71206	63000	66811	54127	75267	0	60703	68919	97424	63169	94619	68246	110740	63274	40880	72364	40563	54526	125056	96145	116355	111336	118171	138544	0	112204	109323	63551	55380	52623	89501	48180	109329	108059	76973	50435	0	57474	99954	Phytochemical	0.4090909	1.1363636	0.045454547
18	C22 H25 O9 N1	448.16022	448.16077	-0.059814047	448.1602	177650	167883	148701	161927	121662	93328	72025	111818	132397	521972	237629	62438	202340	80178	91480	114025	67309	186062	197676	404783	399789	273899	109167	139298	90490	306682	62822	202473	117644	91430	94963	102296	135649	120038	570767	101913	142095	78757	74209	321195	211917	93124	5948	591	492	253908	206000	0	107438	99141	156093	164979	105476	680	169524	108705	70542	113719	111007	63933	125579	211069	192245	114593	60049	141115	99628	67245	269905	378679	312575	103740	85633	87967	60827	100539	395	71582	103896	151152	92512	159717	86973	183924	123931	94348	93076	84853	93272	89664	145084	180633	201954	174826	300376	1199	170401	168544	119947	92569	101389	120916	64809	137188	137456	105356	94061	466	83021	173776	Phytochemical	0.4090909	1.1363636	0.045454547
16	C22 H25 O9 N1	448.16022	448.1608	-0.04298114	448.1602	181394	181002	182396	179022	117432	110074	80690	147015	136504	525312	243011	78680	168077	83686	108964	137018	89054	179880	198569	448883	414839	279237	122825	165876	108274	300395	75982	202190	118627	110496	131867	128506	150167	105519	602740	119356	152170	84644	98807	345648	255329	88356	4801	766	306	236591	227714	0	144253	121894	174747	172140	108611	861	161057	109019	70724	136600	139463	100093	153152	232306	185708	132170	61274	144887	97206	91030	291851	452331	341447	119645	114266	112423	74115	113843	0	83829	110698	161164	93626	172901	108768	219703	135526	83249	116739	88430	95456	151253	152097	194185	229312	193373	310736	1616	175788	187600	92637	92190	108454	155947	75883	153129	156409	146871	109151	686	94944	192290	Phytochemical	0.4090909	1.1363636	0.045454547
6	C22 H25 O9 N1	448.16022	448.16095	-0.08589481	448.16016	22993	21592	17082	20962	15493	52341	8286	14191	18453	59816	30307	10621	27250	8771	11188	15007	10766	20835	26167	43451	58196	42712	13025	17413	6881	19009	6476	15840	12957	11349	12245	11064	16059	11078	141036	11469	13139	9390	15036	26504	39479	9403	0	0	0	28482	39306	0	12332	10811	21219	21574	11277	0	23707	11991	7332	13113	10920	14755	13220	25579	28356	20261	7542	20209	12772	15684	23825	29044	44789	12535	10463	12345	6492	9611	0	8822	13315	19181	11797	18605	9357	15467	13138	8682	12672	8941	10684	19515	12737	15961	23006	29547	38291	0	21767	18635	12648	14986	14851	16389	7704	22027	22494	13215	11388	0	7717	23552	Phytochemical	0.4090909	1.1363636	0.045454547
28	C22 H25 O9 N1	448.16022	448.16064	-0.1865533	448.16013	6104	7090	6271	5060	5928	5472	2050	4187	7053	15512	6318	1161	8118	3537	0	4528	0	10947	9259	10550	13597	10261	6392	5769	3169	12305	1888	5082	2255	2765	2018	1466	3728	3319	16667	2441	4055	2764	3095	8206	7391	3047	0	0	0	7500	10393	0	3372	2496	5351	3596	6541	0	9111	3918	2467	5743	3236	1732	4462	6310	8299	7882	1615	8133	4068	3922	13360	21397	21449	2474	1331	0	2432	3165	0	2320	6388	6376	4728	5228	2978	3981	5081	3330	7751	4041	3398	4773	5160	5533	7024	6838	7408	0	3935	6038	4398	3818	3400	4140	2165	3734	4559	3821	3032	0	3515	10357	Phytochemical	0.4090909	1.1363636	0.045454547
24	C22 H25 O9 N1	448.16022	448.16068	-0.13962924	448.16016	16303	19044	20982	14921	23789	16142	3799	13157	18821	61302	21413	5381	35273	12549	11355	17164	5257	30254	19732	38699	46750	27212	15004	18260	26594	39085	2734	19059	10010	6032	9997	13062	12644	14041	56006	9780	14053	8293	7720	38164	26745	8170	0	0	0	29725	30901	0	12053	8503	22307	19672	17476	0	25041	16049	10821	11090	14752	9790	16582	27671	28557	21955	6209	23029	15769	7015	41940	57157	64072	17377	11661	6654	5189	9219	0	13031	13104	16001	13122	21311	5069	21225	22939	8939	8317	13561	14978	9803	15822	20473	20350	28170	41052	0	22909	22721	20644	21966	20825	15615	7256	15328	21480	15852	19885	0	14029	28063	Phytochemical	0.4090909	1.1363636	0.045454547
16	C21 H25 O8 N3	448.17145	448.17212	0.042869903	448.17145	28294	28875	27888	30625	20180	22837	27585	32452	15528	18407	12523	21215	24126	9818	31247	43529	30020	24792	33467	26398	25419	37409	33649	48448	39060	0	25846	34687	30791	23586	30150	37559	44013	28519	21970	29324	43061	27910	36198	24468	18679	23037	0	0	0	23935	22500	0	40534	30715	32580	0	20822	0	19375	11159	0	48882	32737	19528	49879	14253	16224	13639	12092	25616	23035	38443	9417	15634	12542	30029	28730	26240	27203	24662	0	22419	35555	19225	25872	18752	27644	17349	11866	17276	35872	23575	22359	73181	45777	51679	82934	18643	24137	0	29016	33258	13039	10505	12227	39381	18886	31539	19677	51267	12235	0	34023	23076	Peptide	0.3809524	1.1904762	0.14285715
14	C21 H25 O8 N3	448.17145	448.1719	-0.10401807	448.1714	58035	53216	46181	0	24972	31550	47282	64809	26778	39060	30139	37434	30298	15517	51857	63691	58142	39951	38662	52233	45595	88011	49291	77187	56329	8714	45053	20929	55542	46173	48554	54562	66907	42996	52803	51832	68492	49117	61395	50360	44072	42598	0	0	0	52351	58688	0	60027	58959	49540	54600	33152	0	36419	16872	21410	0	72848	39637	80200	36486	29686	28872	21582	36223	28128	61836	0	24980	23098	47750	43772	51568	43055	56999	0	46613	56636	40143	47422	35090	44599	23464	16284	21717	60769	44109	38560	0	71296	0	0	37630	0	0	55418	51442	18590	17156	16997	0	36862	70793	36754	68920	17506	0	52956	40150	Peptide	0.3809524	1.1904762	0.14285715
6	C21 H25 O8 N3	448.17145	448.17218	-0.09914882	448.1714	44381	45856	39306	36453	15820	16914	29003	54640	22142	44008	26893	30639	27796	8612	34842	58535	41058	28466	37277	48917	60524	67196	38637	63681	26836	9523	26925	18747	45400	37694	40760	48171	51382	0	54907	39717	48980	30623	57442	45030	60320	23136	0	0	0	50106	64181	0	50566	35479	45029	43376	0	0	0	15215	14772	56937	30592	40201	58347	31633	25755	22099	16497	26215	25780	62425	14128	25134	31106	40387	36512	34988	24869	34826	0	0	34812	26885	30481	26083	27431	25901	15811	19531	44065	27639	28034	76621	40547	54807	79546	39531	51643	0	45624	39093	15268	18764	19469	47358	28717	61592	34003	47547	15318	0	30933	27929	Peptide	0.3809524	1.1904762	0.14285715
8	C21 H25 O8 N3	448.17145	448.17218	-0.092789814	448.1714	64928	76403	62807	0	0	28696	0	83785	31138	63584	41702	51253	40026	15406	56061	81645	59409	0	54568	79070	0	0	61933	96359	48083	0	47342	32699	0	0	0	75326	83832	62048	94663	62816	0	49437	0	92085	0	35285	0	0	0	82235	0	0	0	64581	74887	71043	30787	0	46147	25451	0	78280	57507	0	95344	60051	39582	36482	25437	0	0	84945	28790	46844	47042	71386	0	57957	44551	62267	0	48756	67911	47007	52452	44740	57356	53578	0	23240	68875	0	42794	125180	77694	89997	140132	56174	76961	0	0	73239	23900	27250	26371	72222	47686	112731	42641	73586	26190	0	0	38214	Peptide	0.3809524	1.1904762	0.14285715
16	C23 H29 O6 N1 S1	448.17883	448.17963	0.08424487	448.17886	161357	164775	162150	148827	123808	134057	94064	215289	216827	252336	108942	87697	317640	72467	222305	154119	81444	291357	292415	299112	266336	175527	195789	192995	153858	59197	66347	85488	196126	163193	163290	155523	197015	129369	336606	185209	180975	139128	53071	165662	74219	123508	3994	587	0	189899	109171	0	149621	168246	159574	159749	133725	607	470938	153162	84631	152738	201641	54346	186231	146999	239167	235947	70187	156680	123414	55262	81253	123659	67051	161935	149296	200667	89288	131169	0	131209	118924	89971	108489	105721	101528	87887	155993	124135	109357	80995	107273	53967	92438	192036	215483	108469	166614	1969	167819	194418	118516	89712	107196	202503	95212	187346	102836	145013	136420	774	100477	264318	Organosulfur	0.26086956	1.2608696	0.04347826
8	C19 H29 O11 N1	448.18134	448.18204	-0.10914458	448.18127	29300	37524	29639	36000	28194	17962	25112	47278	27756	28206	23191	23794	43548	10629	48454	51876	35662	39562	46380	54140	41724	35080	47066	65040	20728	18820	25580	12352	41864	47316	31708	37402	35970	30038	56012	48330	39042	34688	33276	34111	38688	28090	0	0	0	39260	56400	0	33264	48710	34003	31242	19024	0	52208	27880	22567	44427	32692	26244	61424	27128	28846	36030	15594	31892	26740	38704	29504	11432	31419	39622	36704	42996	34505	42134	0	32928	36070	19426	23928	21812	24062	8113	42428	23276	27402	14960	27481	37450	0	0	54418	15290	27020	0	34496	41726	25524	28310	32512	53874	26536	60626	0	41915	33936	0	22520	38422	Lipid	0.57894737	1.5263158	0.05263158
2	C18 H29 O10 N3	448.19257	448.1934	0.007178533	448.19257	5325	4818	5104	5170	2623	0	2409	6435	2585	810	1114	4799	4931	1667	4158	1200	3703	4955	5431	767	1498	35376	4664	9205	4235	0	0	1121	6787	2724	6631	4928	8886	6759	1089	5476	4397	3480	4279	456	707	0	221	0	0	3795	690	0	5573	2264	4767	5232	3158	0	4232	2157	1619	8302	903	489	3553	0	3348	3944	0	8521	3892	5747	0	756	455	6096	6841	4170	405	3244	0	3564	4369	0	4444	0	458	0	2054	2156	3271	5612	3064	10039	6849	6196	89614	1123	0	0	4898	5225	1554	2232	2064	3938	4929	810	700	24734	1969	0	3471	5196	Peptide	0.5555556	1.6111112	0.16666667
4	C18 H29 O10 N3	448.19257	448.19336	0.05548001	448.1926	3001	4781	2770	3900	1729	8687	1619	4841	1810	0	0	1593	3360	912	3155	3229	3066	3495	3364	0	0	16015	3774	4662	1299	0	1705	0	4324	2489	3955	3670	5448	3988	1124	3365	7245	2569	4872	0	0	2552	0	0	0	0	0	0	3892	1596	3149	3395	2092	0	2358	2005	1556	5642	978	0	3953	0	2309	1401	1336	6027	2756	3999	0	0	0	4914	3570	2840	1642	3835	0	1659	2565	0	2184	745	0	0	1876	1736	4570	2979	2183	4384	20694	15799	43022	0	0	0	4319	5193	1062	1578	1851	3626	2217	0	0	6573	1509	0	2052	3759	Peptide	0.5555556	1.6111112	0.16666667
6	C23 H29 O8 N1	448.1966	448.1973	-0.15192196	448.19653	25346	26873	20672	20540	11133	10505	17798	28300	11221	46466	22007	14050	14825	6525	15304	26910	15468	15720	20630	51423	54908	30709	15895	24703	13956	23085	14444	19054	24836	20266	20405	24911	24900	21297	54150	21719	24770	11539	23474	32827	51492	11055	0	0	0	28877	27317	0	26476	22869	23435	21427	9382	0	17352	8100	7232	21521	8316	12770	22888	19727	14567	15642	7117	14909	12374	21273	25427	35379	37426	18654	19249	21140	14131	17501	0	11353	15083	12607	11902	10090	10721	18244	10714	10131	16524	10955	12242	25075	18444	23813	32565	24278	36783	0	24425	19446	6458	9605	9734	24448	11859	28517	8423	19454	9195	0	13476	17156	Phytochemical	0.3478261	1.2608696	0.04347826
22	C23 H29 O8 N1	448.1966	448.19714	-0.11532617	448.19653	105511	108527	94341	113158	98677	85910	39163	89084	96253	256742	139364	43587	123841	67297	69135	95110	54854	146802	117979	263754	249422	127225	80923	115011	75307	263877	34697	129285	93150	79518	76610	91126	100845	87522	253870	0	97783	59281	56815	179182	124499	68967	10938	0	385	144682	119057	0	84222	80844	100888	104942	80710	645	104192	93765	48960	88435	70536	47931	0	131158	113730	84181	42189	101140	76225	60365	214344	353912	299332	88136	0	65715	43621	71825	420	62153	78926	71991	72578	79352	56600	97655	106350	66113	72439	0	73740	76679	98226	118562	0	87650	142577	0	109774	116973	73726	78701	80248	90766	49327	95511	87262	95352	75342	0	62539	138504	Phytochemical	0.3478261	1.2608696	0.04347826
16	C23 H29 O8 N1	448.1966	448.19714	-0.1481519	448.19653	177842	170514	179320	168542	108988	87558	101951	183141	110433	321536	154321	103467	127827	76066	122715	189736	135140	144764	178298	377149	377598	222851	137269	208986	129169	302417	105505	151207	159950	162375	149382	184712	189883	136859	355564	180586	182144	105976	148478	265630	213244	95761	3577	509	369	193383	179618	550	173892	157584	178863	175905	95894	805	122205	77338	67871	175372	136244	125206	187173	167197	129872	95791	54910	126244	101005	143877	254531	399438	365271	164312	149349	164589	137741	148650	717	116738	132839	134506	109143	123508	128506	168338	110102	77868	133151	109836	110360	235081	178766	204129	282923	123055	224619	1493	172747	201110	81232	72094	90595	180402	92160	189218	110703	191555	94982	567	116151	141160	Phytochemical	0.3478261	1.2608696	0.04347826
26	C23 H29 O8 N1	448.1966	448.19708	-0.17166962	448.1965	14438	12700	16300	16222	15019	9864	3858	8186	13384	34307	14717	6629	26063	7825	6904	17491	10222	20612	19486	24813	31676	20193	11293	25132	7049	35438	2247	10951	11915	7686	8207	9370	12848	10819	29049	9355	14650	8170	8650	21899	20848	7510	0	0	0	14873	17166	0	12129	10733	14273	17851	13473	0	13761	12585	8082	15218	7215	5374	15768	10102	18397	12750	3697	17143	9107	8305	33787	50971	60756	12558	10676	0	9403	6897	0	6646	9184	9875	8243	6212	5948	9072	14442	7239	7434	9468	9708	19266	11856	11037	30612	10134	16882	0	16210	15869	10635	9652	10779	14091	6147	10584	10904	17082	7885	0	7266	23137	Phytochemical	0.3478261	1.2608696	0.04347826
8	C23 H29 O8 N1	448.1966	448.19724	-0.17880608	448.1965	43199	41803	38304	41486	17218	19004	21839	38858	21411	103631	47835	20597	26807	13634	25409	38140	27839	21277	32990	102126	99788	130836	25633	44101	24143	41163	20695	44463	35439	31355	29564	37587	40816	36359	125030	32428	43752	21366	36158	67364	51481	14681	0	0	0	51634	45101	0	44369	34537	37501	40490	18683	0	33683	14690	11963	34642	13803	20864	39197	41306	27987	23410	11245	24733	22261	34433	38090	70120	73310	34081	31332	31719	24325	32063	0	21170	28377	31889	23668	18282	18072	40558	17133	11311	28470	17896	19007	44180	49575	45969	99042	43043	65779	0	48741	37420	17765	15326	18574	40234	20007	52644	14391	37458	16134	0	22185	25443	Phytochemical	0.3478261	1.2608696	0.04347826
28	C23 H29 O8 N1	448.1966	448.19705	-0.1745156	448.1965	6804	7099	6317	6183	6826	5606	3689	4798	7547	13462	5738	2590	9679	4123	4317	7521	4743	10646	14036	11345	13755	5465	4900	8389	0	16957	4450	8342	4762	4703	4699	5328	7859	6100	13450	5409	7812	2687	5877	12376	9664	4673	0	0	0	6850	6174	0	6707	3717	5612	6805	6792	0	5457	5574	3017	9533	2447	3671	7858	5421	9103	6355	3113	8445	5294	5308	21926	23686	31518	4726	4021	3154	3104	4345	0	2589	6183	4185	4904	2587	3531	4173	8512	2286	5123	4805	3904	9148	4883	8612	9398	4624	6578	0	7945	9078	2942	5113	3860	7616	2400	6326	2995	8277	3691	0	3994	9908	Phytochemical	0.3478261	1.2608696	0.04347826
10	C22 H29 O7 N3	448.20782	448.20847	-0.14447187	448.20776	37067	0	32617	0	12360	14972	0	0	12402	0	14853	0	13309	9554	31980	38662	29127	18984	0	39645	39411	50552	0	48335	0	12093	29882	16950	31245	28404	33378	0	0	0	0	0	0	0	37630	44603	35327	17079	0	0	0	38671	23489	0	37561	32411	27867	36285	17328	0	17466	9159	12090	51431	20349	24305	46621	26449	11078	14598	11255	16235	17407	40327	7536	25345	15977	38118	0	30701	23475	28077	0	24731	31823	20128	27413	18355	25672	24137	8712	9924	32028	19676	19885	51329	71705	56217	74246	28428	0	0	33055	42187	9706	10776	13696	0	0	52388	14883	0	9148	0	34749	15298	Peptide	0.3181818	1.3181819	0.13636364
8	C22 H29 O7 N3	448.20782	448.20847	-0.15439983	448.20776	35908	38327	29068	34088	11151	12659	20412	0	12719	33806	17285	18651	16583	7932	26010	37801	27665	15188	24518	0	28765	48357	26285	48982	30551	8517	20425	12255	32323	24658	26826	37922	40525	30572	41073	0	37133	21448	33331	36074	32941	15797	0	0	0	34484	31692	0	38487	27298	33128	36612	17282	0	18773	9576	13565	41729	14979	16698	40000	19020	11400	14679	10780	18171	18235	36484	10229	23084	18619	31073	24611	24372	23572	25863	0	18356	30122	21362	23965	16245	17543	20196	6240	11204	29912	17374	17550	42681	75960	69392	65370	25079	36868	0	32642	30435	6492	13603	11839	35942	20690	43802	14395	32730	11697	0	26996	13932	Peptide	0.3181818	1.3181819	0.13636364
10	C24 H33 O7 N1	448.23297	448.23358	-0.13217463	448.2329	41169	38832	39634	34977	11246	16884	26681	52413	11338	57691	31081	28936	9940	9789	28790	52224	43973	13823	21722	72650	66780	45063	25953	53918	26970	28613	26903	29450	43771	50222	43278	53975	76002	45299	69908	51723	67367	25346	58510	52468	31954	18469	0	0	0	36689	36330	0	58185	44992	37735	35426	13242	0	10781	5919	9808	58809	2100	8659	45288	16623	7756	11513	9251	10538	18841	58282	22369	50339	33793	49829	49361	55410	49256	49708	0	30724	27944	20537	26851	8857	10262	26707	8906	8361	27229	16093	20519	50810	48143	25663	64482	28211	47130	0	41783	39824	6094	7545	5798	64155	22080	55839	0	42991	7429	0	27544	7956	Lipid	0.29166666	1.375	0.041666668
8	C24 H33 O7 N1	448.23297	448.23364	-0.14341557	448.2329	24804	25991	20992	27677	6264	9384	14967	34163	7019	39695	16719	16617	7538	3648	17677	36605	20703	7663	14827	43785	39403	28552	16380	37847	20149	19077	15185	16898	28106	23580	25055	35062	36347	28117	42711	34382	37419	15749	24737	37545	16404	10443	0	0	0	21959	18179	0	41155	28151	25889	27428	10116	0	8783	3612	7183	28822	1251	3878	30630	12367	8503	8729	4696	8152	12300	30030	13894	31914	29215	33113	25978	29508	23648	30806	0	17459	18548	13199	13515	5499	6688	20502	4467	6931	14596	11661	11840	34241	27090	22253	48213	18509	31538	0	25261	23895	4797	4253	4055	33828	17357	42237	0	27016	3724	0	16014	7427	Lipid	0.29166666	1.375	0.041666668
24	C24 H33 O7 N1	448.23297	448.23343	-0.14450283	448.2329	103598	96616	89438	96445	110371	71643	38032	89830	89381	166652	113375	45589	128102	63186	65380	113576	56216	110968	143363	206116	184829	94117	79246	115282	66458	233213	31287	111768	90482	75462	61621	81173	102198	81425	179877	83848	106567	49417	64440	147575	102101	56094	17396	0	0	102833	80515	0	92554	66573	92848	95019	85266	0	93042	80450	40641	101227	58072	44273	106656	90252	90837	73935	33890	101378	71271	61319	202405	292382	264443	87611	74315	65325	49512	64657	0	56809	85356	55557	63792	58322	51786	83932	96399	48169	82235	0	63775	92150	114331	119502	143807	74973	102752	0	94120	107105	63246	77571	75017	106250	42557	100018	71765	102621	70771	0	66793	114999	Lipid	0.29166666	1.375	0.041666668
28	C24 H33 O7 N1	448.23297	448.23346	-0.1680646	448.2329	9182	5970	7965	6637	10043	4127	3850	7446	5194	9285	5953	1994	7219	5091	4595	8089	10368	6238	8490	8834	9924	5030	4333	5584	4875	19362	2894	7563	5822	4884	5568	6091	6111	5230	7944	6633	6456	2443	8624	6972	7644	3915	0	0	0	3055	3258	0	5378	4718	5098	5322	7348	0	6622	4223	2714	8695	2126	5120	8208	4186	5702	5383	2249	8653	4835	9005	18328	25213	30170	4742	3315	3878	5020	4330	0	2461	4877	4710	3810	1804	4238	5390	5576	2001	10834	3935	4100	13257	6254	8360	10078	3017	4205	0	6580	7573	4079	5210	6615	8797	2871	5791	0	9384	4015	0	3900	7487	Lipid	0.29166666	1.375	0.041666668
14	C24 H33 O7 N1	448.23297	448.23352	-0.18230093	448.2329	35253	33468	35602	38279	19316	14203	26325	42631	17136	45547	25504	22652	16537	13096	29612	48660	43974	15998	29424	75882	61437	50611	29776	44552	32712	48497	27948	35613	41199	40804	38105	47085	51535	30794	54570	43198	47650	22855	46080	46759	38322	20472	0	0	0	37757	31954	0	40069	40253	36523	33275	15261	0	18601	12277	12946	37641	18030	26866	42379	24199	15708	17007	11454	22851	16618	44194	22880	75600	56097	31405	33775	40368	38191	34920	0	27598	31441	20012	23839	18449	20502	27614	16958	13630	35497	19622	23305	69958	46955	33985	67327	22429	38987	0	31534	33757	11760	12719	15822	38002	27103	53325	0	34603	13218	0	29457	12920	Lipid	0.29166666	1.375	0.041666668
6	C24 H33 O7 N1	448.23297	448.23367	-0.13330267	448.2329	16661	14678	13776	13557	2693	4333	9729	26599	1866	16761	9665	10466	2139	1582	11928	21030	17043	4841	6537	23665	17970	16895	10766	22527	11957	7867	9141	6682	25283	19666	18082	22128	20843	15614	21151	23490	18904	11080	16479	13784	11316	5474	0	0	0	14819	12797	0	25750	18335	14598	14461	3884	0	4481	1087	3518	19274	1843	1614	17091	6331	3645	3496	2399	3046	6261	21676	13695	14011	12793	16356	17699	21781	17219	19691	0	12394	9989	8958	9975	2970	5098	10505	1724	2687	10513	5462	7078	19879	22230	9191	24894	9849	17346	0	16637	11828	2095	1583	831	19411	10102	19303	0	18148	2012	0	10320	2951	Lipid	0.29166666	1.375	0.041666668
12	C24 H33 O7 N1	448.23297	448.23358	-0.14711028	448.2329	32444	21704	25582	25176	13523	12305	21068	46442	11255	39641	21002	15333	12426	8335	20168	25953	29720	12877	19213	58180	52903	28379	22370	32435	25568	29002	18804	26126	30567	29242	27373	35252	43947	26517	65033	28650	39136	27052	27309	41571	24329	14091	0	0	0	19507	21409	0	39733	31339	25805	29214	13226	0	13148	6287	7841	40266	0	17299	25106	19790	17710	11068	8871	11259	13167	33858	25424	59666	46538	28917	23672	36096	22023	28028	0	23955	21532	20945	15789	9609	7923	24294	10751	7952	23584	14200	16853	43227	39503	25861	53772	19192	30300	0	24323	32057	9872	7811	8658	26511	13955	31296	0	30269	8676	0	24145	10075	Lipid	0.29166666	1.375	0.041666668
2	C18 H33 O8 N5	448.2402	448.2407	-0.07928076	448.24014	0	0	686	658	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1912	837	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	325	0	188572	0	0	0	0	0	0	0	0	0	0	26059	14112	828	8361	0	0	1669	1088	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.44444445	1.8333334	0.2777778
18	C21 H37 O9 N1	448.25412	448.2546	-0.18973057	448.25403	3271	5598	5076	5170	3940	2967	19871	7422	3054	0	0	1492	6140	2688	6889	3788	10736	4110	7139	2361	0	0	3737	2927	6621	1537	8373	2267	10756	6391	5867	4411	8558	0	0	5278	6370	5397	13729	0	0	2847	414	0	0	2000	2020	0	5719	4801	2578	3057	2120	436	8965	2568	1574	5491	3144	2233	8583	1172	2900	3639	5437	3127	4660	7510	0	1560	0	4148	6970	8132	5177	6743	0	4629	3216	3036	3842	0	24154	4214	2531	2460	2909	1944	0	1911	5611	4777	5523	1656	0	0	3978	5129	2606	1479	4914	7700	3161	4346	0	4650	1962	0	4017	4643	Lipid	0.42857143	1.7619047	0.04761905
12	C25 H37 O6 N1	448.26938	448.26993	-0.17578118	448.2693	8233	5021	6617	8640	1953	2925	4918	15863	1112	6636	5921	4865	0	1528	7806	14766	9910	1977	5587	15457	10768	5375	5424	14874	10292	7837	7271	0	16423	15284	14685	18424	19123	12196	9128	15345	16910	9256	9661	12301	0	3796	0	0	0	7334	4856	0	14189	11144	8464	6144	3110	0	0	0	1929	15690	0	0	0	4455	1363	2255	2081	1276	3925	15554	0	12566	6890	11604	10896	14906	8085	10330	0	8549	5210	0	4303	0	0	4462	0	827	4560	0	4408	58132	17534	3861	28928	3672	7064	0	5961	6439	0	1007	0	11055	6013	10258	0	11938	0	0	4979	0	Lipid	0.24	1.48	0.04
16	C25 H37 O6 N1	448.26938	448.26984	-0.13585874	448.26932	5699	6077	6288	2911	1807	3501	5821	7880	0	7942	4150	7200	0	3164	4996	13355	12822	0	0	6158	7763	4645	7334	6962	6746	10851	8665	3554	6511	6912	9178	13280	7795	4714	4895	11046	10512	4695	10840	5477	2834	2836	0	0	0	3822	4841	0	9603	8434	11686	4584	3039	0	0	1771	1804	12503	0	3339	17538	0	0	0	5857	0	4954	11317	5959	11737	9341	7897	10980	7369	13976	7296	0	4925	3544	4908	2976	1317	3408	5527	2054	1230	3666	3010	2895	45731	16964	5801	0	4032	6808	0	9590	9150	2148	1337	0	16961	5022	5796	0	11658	3017	0	7712	0	Lipid	0.24	1.48	0.04
10	C25 H37 O6 N1	448.26938	448.27002	-0.090903334	448.26932	9678	7740	8641	7770	0	1520	5490	11404	1032	10259	4993	8601	0	0	9653	14583	12284	1591	1895	11935	9764	8526	5382	12353	10312	5458	8304	4935	15324	14123	15871	15867	16513	9071	6196	15353	19911	6847	11280	6614	1290	1956	0	0	0	3148	3353	0	16007	11293	8914	7921	1443	0	0	0	1811	13472	0	0	9325	1542	1002	1342	727	0	3155	17324	0	7255	3347	14639	13536	13528	8951	14380	0	9754	6236	0	4512	0	0	3360	0	1110	7532	2764	3479	55354	16295	1870	33783	5602	14159	0	10197	6560	0	0	814	14977	10334	12947	0	16820	905	0	5497	0	Lipid	0.24	1.48	0.04
8	C25 H37 O6 N1	448.26938	448.27002	-0.09442476	448.26932	5750	6110	4469	5538	1036	960	4238	9081	1110	5503	2369	5159	0	0	5908	9329	10083	0	2253	5172	6360	6049	3950	10336	5626	1754	5408	0	8892	10396	6710	9622	8925	7719	5809	9632	11003	4948	11269	4586	855	2151	0	0	0	2961	2342	0	10416	10132	3664	7076	1350	0	0	0	1571	9405	0	0	9982	1615	0	0	0	0	1537	12621	0	3324	1697	7711	9984	11150	8240	6906	0	5890	5225	3223	3539	456	714	2772	0	0	3965	906	3553	39486	0	0	22259	2364	5302	0	5859	6243	0	0	0	11088	6318	7586	0	10884	0	0	5141	0	Lipid	0.24	1.48	0.04
18	C25 H37 O6 N1	448.26938	448.2699	-0.11846112	448.26932	15786	11998	10792	14957	8302	7283	7111	18751	7670	13292	14062	11204	3315	5217	11259	19790	21010	2598	7075	13379	12317	11363	9047	14743	10725	20762	11270	9385	17290	15950	15461	16442	14711	12521	7212	20299	19561	10503	25511	7698	8379	8950	0	0	0	8945	6682	0	19236	15242	14150	9739	7823	0	3841	8088	7546	16768	5264	12399	14185	2355	2735	2804	2375	4442	6542	27934	18990	13780	24570	9368	13763	22657	21482	12231	0	10031	10185	7403	9517	3035	4952	10409	4670	5412	13485	4950	8585	36581	17587	11597	25178	5493	9092	0	13125	12011	4580	3180	5606	23009	8985	13688	3057	17743	8622	0	13480	3506	Lipid	0.24	1.48	0.04
26	C22 H41 O8 N1	448.2905	448.29047	-0.10550354	448.29044	0	0	0	0	8588	0	5095	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2673	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5644	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2941	3508	0	0	0	0	0	0	0	0	0	0	0	0	5934	0	25262	0	0	0	Lipid	0.36363637	1.8636364	0.045454547
12	C26 H41 O5 N1	448.30576	448.3062	-0.08759407	448.30573	1549	0	0	1501	0	0	0	4130	0	0	0	1985	0	0	2995	12289	1762	0	0	0	0	0	0	3488	10085	0	0	0	3106	3353	1853	2480	2280	2843	0	2674	2212	2483	0	0	0	0	0	0	0	0	0	0	2620	2538	1264	1524	0	0	0	0	0	7743	0	0	0	0	0	0	779	0	0	0	0	0	0	1973	1885	3557	2638	1876	0	2068	0	0	0	0	0	0	0	0	4535	1117	3346	50126	4171	0	9165	0	0	0	1631	0	0	0	0	1919	1638	0	0	8422	0	0	1033	0	Lipid	0.1923077	1.5769231	0.038461536
28	C26 H41 O5 N1	448.30576	448.30618	-0.20054261	448.30566	4214	4383	5999	6310	3769	1075	15960	18853	2787	1328	4843	5624	0	1049	5273	11980	8261	0	3931	3169	3128	2157	3144	6779	11118	7862	8138	7675	14231	21531	12752	8921	8186	6971	2211	15417	5598	9079	8307	2944	2845	2452	0	0	0	3093	0	0	16581	19737	3116	5126	5011	0	2701	4652	2812	9934	5840	3521	11361	1888	954	1570	1525	2475	4159	11002	7251	1958	2499	7134	7763	12123	5700	11181	0	10468	6230	3750	4061	2855	6392	3924	5351	0	11531	2134	2603	5631	4160	7148	2929	5091	0	0	5490	5979	1769	5916	8004	8797	9132	7138	2959	7569	5189	0	15302	1164	Lipid	0.1923077	1.5769231	0.038461536
16	C26 H41 O5 N1	448.30576	448.30612	-0.1188788	448.3057	2747	0	3085	2894	0	0	73230	9728	0	0	2185	149313	0	0	0	4653	0	0	0	0	0	2508	0	0	0	0	532361	2851	6036	52080	10300	8825	1966	2683	0	8150	1891	0	0	0	0	0	0	0	0	0	0	0	15157	13513	1939	2269	0	0	0	0	1865	1726	0	0	0	0	0	1390	6301	0	0	0	0	0	0	11848	21129	15326	1963	9176	0	99637	0	0	0	0	0	0	0	0	0	0	0	0	3845	0	0	0	0	0	1638	6098	0	0	0	3012	73998	0	0	0	0	0	2203	0	Lipid	0.1923077	1.5769231	0.038461536
18	C26 H41 O5 N1	448.30576	448.30603	-0.2061769	448.30566	3341	4337	1567	5410	0	0	11638	1922	0	0	0	9431	0	0	0	3876	0	0	0	0	0	0	0	0	0	0	62782	0	3253	4461	5262	2683	0	0	0	0	1786	0	0	0	0	0	0	0	0	0	1134	0	5329	3397	3112	3081	0	0	0	0	1643	2384	0	0	0	0	0	0	0	0	0	1851	0	0	0	2292	1938	3895	2242	0	0	8186	0	0	0	0	0	0	0	0	0	0	0	2022	0	0	0	0	0	0	0	0	0	0	0	0	47922	0	0	0	0	0	0	0	Lipid	0.1923077	1.5769231	0.038461536
26	C18 H8 O12 S1	448.98093	448.98093	-0.1407894	448.98087	0	0	0	0	0	0	15391	0	0	0	0	5663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5700	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7229	0	0	0	0	0	0	0	Organosulfur	0.6666667	0.44444445	0.0
26	C19 H12 O13	449.03506	449.03564	-0.033647142	449.03506	2274	0	2970	3314	7524	4503	0	0	10244	0	0	0	23266	5107	0	0	0	16483	12647	0	0	3213	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2063	2953	5158	0	10360	7767	3052	0	0	0	0	0	25610	8570	0	13422	2822	0	0	0	0	0	0	0	0	0	0	0	3488	0	4787	0	0	0	15022	0	2961	0	0	0	0	0	0	2651	0	0	4069	0	4490	12064	10754	0	0	0	0	0	9206	0	0	22271	Phytochemical	0.68421054	0.6315789	0.0
26	C20 H16 O12	449.07144	449.072	0.008483109	449.07144	7516	6689	8331	5312	14053	12301	0	0	17952	6496	0	0	43721	5424	0	0	0	28156	15931	0	0	11224	0	0	0	0	0	0	0	0	0	0	0	0	8169	0	0	3435	0	3617	3917	0	0	0	0	0	10675	0	0	0	8222	4521	8809	0	28823	21685	7197	0	0	0	0	3099	39630	19191	3982	21744	3398	0	0	0	3053	0	0	0	0	0	0	0	8135	6093	7127	8657	0	0	23802	11922	5627	0	2902	2296	1892	3065	0	7727	10231	0	4421	9382	10536	17499	18353	0	0	0	6350	2150	14897	0	0	39403	Phytochemical	0.6	0.8	0.0
28	C20 H16 O12	449.07144	449.072	0.026482547	449.07147	5446	4494	8920	5619	14301	9035	1387	0	14958	5796	2471	1651	38676	10235	4430	2636	0	23164	17923	3667	6525	9205	6396	0	2034	0	1492	0	0	0	1233	0	1335	0	11464	0	1975	2096	0	2029	2786	2581	1156	0	0	6288	7614	0	0	0	4560	5255	9739	0	22007	13213	4534	1144	916	1297	2003	2296	32233	16985	5062	19917	4507	1664	3044	2563	3609	0	0	0	0	0	0	1500	9641	5572	7698	5190	0	1344	20884	8349	4959	2590	3563	0	1436	2031	2653	10539	8897	0	7605	5528	11435	13223	13280	2792	1531	0	6040	1339	12842	0	3083	29659	Phytochemical	0.6	0.8	0.0
16	C20 H16 O12	449.07144	449.07208	0.020572582	449.07147	37997	36087	34747	38523	82913	40895	7462	5263	98695	40289	35048	14448	157750	29730	15306	12375	6994	89951	83461	25249	50961	92813	26073	8851	3294	4025	6942	11205	3441	1764	5331	4046	15429	2825	69519	5014	14972	17765	7892	22646	34181	20707	1912	0	0	31326	73040	1123	5470	2551	37713	37733	42067	0	83029	81796	35250	9190	11282	10168	7962	33098	156733	90431	26845	95111	27287	7196	18505	6220	15869	3181	4433	0	6403	3121	365	9144	41215	58996	28754	48307	4025	6867	95073	37260	26006	26213	27860	0	5853	16344	0	112293	76405	0	41903	38694	73539	111821	96247	10544	13145	9846	49074	14006	73282	0	6125	144462	Phytochemical	0.6	0.8	0.0
8	C20 H16 O12	449.07144	449.07236	0.09835951	449.0715	1782	3273	1745	2876	7871	1802	0	0	10828	1929	2475	874	11309	1635	870	0	1105	5317	6403	1633	5203	4014	1279	0	0	0	618	0	0	0	0	0	0	0	6170	0	0	843	0	0	2126	1602	0	0	0	1794	5639	0	0	0	1958	4091	4757	0	5789	9549	5349	0	0	0	0	1564	20244	8349	2904	9213	2430	1100	0	0	2738	0	0	0	1973	0	0	0	1516	0	3074	1292	0	0	11003	0	1784	2352	2177	1299	0	0	1998	5620	3277	0	2078	2584	10067	18872	10602	1165	0	0	0	0	10849	0	0	17520	Phytochemical	0.6	0.8	0.0
18	C20 H16 O12	449.07144	449.07205	-0.002070094	449.07144	29855	30710	25848	36014	69925	41877	6581	4532	69796	27900	22736	9948	141195	27276	19762	7056	6533	87211	71782	23023	31906	62260	28728	4865	4446	4298	7413	8286	3461	3858	3619	0	12989	0	37288	1930	13280	13995	5236	14670	24135	16234	1650	0	338	30876	50909	1442	4003	3323	28988	30433	42087	334	78234	69630	31237	9992	6775	5591	6850	19368	132294	77144	24746	86441	28137	4172	9737	4993	15002	4416	4977	1867	3891	7480	513	8681	35617	48466	24893	37683	3574	3443	81367	40408	22692	20479	27769	8923	5377	11379	13866	69578	50211	551	32231	27205	61342	82699	82261	8866	6906	5490	38158	6488	60050	0	6217	125637	Phytochemical	0.6	0.8	0.0
22	C20 H16 O12	449.07144	449.07208	0.15394735	449.07153	15408	12353	10217	10642	32517	16785	1698	1954	33672	10888	7438	2607	54159	15184	7004	2487	2805	47629	27175	5567	10439	27646	10369	3251	2360	3232	1492	2634	0	0	0	0	3218	0	11092	0	1486	6073	0	4753	6820	3855	0	0	661	12842	16982	0	0	1155	11462	10569	18347	227	42711	32782	12879	2994	5038	3041	0	5476	56951	35813	11133	41056	8670	1895	2349	4527	3714	0	0	0	1068	0	825	2587	19869	13960	14997	15702	1409	2422	49426	21691	8893	5151	7412	3134	2742	0	1837	23467	20940	0	10122	14966	24440	39817	34387	2237	2586	2848	14115	1923	25440	0	0	60463	Phytochemical	0.6	0.8	0.0
10	C20 H16 O12	449.07144	449.07208	-0.024396392	449.07144	7969	9135	4797	10885	21464	6884	1535	1717	26302	13248	14583	2584	29936	6433	1594	1759	2022	17719	20905	6541	13823	22209	5787	2193	0	0	1477	0	0	0	1344	1098	1900	1665	16489	0	1607	3045	0	2915	10301	5877	0	0	0	7550	18731	0	0	1331	10022	7696	10326	0	19793	24251	9095	1602	0	4607	0	3943	42758	21614	6410	28079	6912	5713	7479	2241	8378	1987	0	0	2850	1093	0	2153	7790	5231	6660	8884	1125	943	29634	9486	6675	7425	8422	3243	0	2172	2803	21115	8553	0	11057	4881	28461	37677	32495	2342	1903	0	0	2203	23775	0	1598	35588	Phytochemical	0.6	0.8	0.0
14	C20 H16 O12	449.07144	449.0721	-0.002564849	449.07144	31262	34847	34359	37530	71423	24442	5600	5383	80256	45889	44290	11208	128776	21996	15903	10798	8711	69982	59669	29578	53544	109918	23650	6684	3436	2357	6207	9926	2212	2685	4971	0	15582	2863	69294	2585	11513	13703	7664	19331	46833	18581	0	0	0	33040	80685	643	3635	4088	35524	27873	42037	0	67652	65653	30106	6826	7044	10428	0	23430	138839	85420	25113	91685	29498	8379	17200	7562	15477	2792	3152	1367	6629	5599	0	11410	35653	43747	25949	35900	2957	2778	92070	30449	22409	25191	25090	17906	0	14582	14963	101573	58869	0	30152	28027	81508	106522	90840	11155	10020	8066	50844	14429	61581	0	5897	108942	Phytochemical	0.6	0.8	0.0
12	C20 H16 O12	449.07144	449.0721	0.020823626	449.07147	22510	19165	18810	25191	36063	14534	3380	1680	49499	27128	36189	7927	57848	12844	6237	4109	6422	32738	42538	11952	27371	45089	10420	7832	0	1821	3583	0	2169	1712	2431	0	11225	1457	45579	1462	5448	9020	6835	12358	33423	14478	0	0	0	12226	46913	0	3080	4433	18663	19472	20789	0	41664	45492	17651	4518	0	9600	0	10280	93760	48591	17805	50049	16002	5174	0	4810	10980	2091	0	1714	4629	2375	0	5592	17611	17103	18373	20631	1709	1665	58853	17917	17226	16244	14462	11362	0	4621	8947	70224	32728	0	29526	23572	57861	62472	51411	9738	5123	4827	23544	4783	39691	0	1733	77931	Phytochemical	0.6	0.8	0.0
24	C20 H16 O12	449.07144	449.07202	0.17953485	449.07153	18198	34859	20055	15741	57936	36615	4176	0	65751	20517	10356	9708	158523	26157	14625	8421	0	74079	61278	7890	14841	33482	18735	3837	12399	4434	0	0	0	0	3735	0	6117	3615	28332	0	5751	13209	0	11475	11864	4644	0	0	0	24702	40788	0	0	0	17127	22824	37509	0	92865	67509	23958	3216	6996	3447	7092	11547	128088	62418	17499	78909	8241	0	9690	5991	13890	0	0	0	0	0	0	6279	29616	25149	30903	25657	4005	6222	93582	29571	22824	10452	13593	0	5697	5448	0	37185	43536	0	18501	22527	37638	70200	62253	0	5364	6294	19602	5625	53022	0	6480	137673	Phytochemical	0.6	0.8	0.0
20	C20 H16 O12	449.07144	449.07205	0.02815978	449.07147	86980	101928	55500	90360	219260	86488	14156	9080	216596	50912	38872	28060	416896	99160	35996	11964	10732	211692	204938	40242	58048	155522	66956	21196	22076	0	12468	17124	9352	9036	12096	0	20104	5608	80832	0	23516	39204	5708	35402	59324	36712	7840	0	2556	79448	122148	9164	0	0	82356	87564	123208	2128	229716	197728	84504	21264	24636	16776	11096	49664	409897	192640	65100	238988	48620	13992	32580	16912	44004	0	5660	0	10048	0	3304	22464	103508	120330	75396	101220	5544	0	272064	107188	60528	46520	51368	27166	31428	36828	27988	200952	127538	0	60264	53840	148600	264204	254896	14496	21792	16828	71152	28632	176168	0	21508	380188	Phytochemical	0.6	0.8	0.0
12	C19 H16 O11 N2	449.08267	449.0834	-0.031056317	449.08267	5076	3833	3174	4385	8870	1053	0	0	9574	4506	6251	0	17628	1990	0	0	0	8978	11276	5670	9032	13172	2540	0	0	0	0	0	0	0	0	0	2085	0	9824	0	2434	0	0	7559	21087	2270	0	0	0	6335	26180	0	0	0	4289	5759	5729	0	9560	7048	3711	0	0	0	0	8250	30917	13310	3468	11546	2771	0	0	0	4108	0	0	0	0	0	0	893	2226	0	1035	10629	0	1928	11564	3162	3875	1650	3033	5479	0	0	2789	24695	4376	0	6025	6536	6948	11766	11536	2696	1416	0	0	0	6562	0	0	23416	Phytochemical	0.57894737	0.84210527	0.10526316
14	C19 H16 O11 N2	449.08267	449.08344	0.023275653	449.0827	4522	6130	4435	6520	9375	4397	0	1533	14923	8272	8530	0	21711	3168	1827	0	2180	13581	8930	3059	15049	18021	3367	0	0	0	0	0	0	0	1406	0	3669	1256	11655	0	1759	0	1700	6026	19614	4189	0	0	0	10363	30287	0	0	0	4601	3637	7322	0	12861	13200	4275	0	0	0	0	13254	32422	14303	3722	14949	3132	2809	0	0	2511	0	1150	0	1426	0	0	996	3479	0	2642	11269	0	0	10615	3600	3448	3025	5117	8793	0	0	2476	27924	10803	0	3991	3034	7644	14833	12831	0	0	2043	0	2600	9484	0	0	17990	Phytochemical	0.57894737	0.84210527	0.10526316
8	C15 H20 O10 N4 S1	449.0973	449.09805	0.20026718	449.09738	5969	7925	7449	5480	2374	7004	16382	6106	5603	2939	5877	5652	2103	973	32685	7940	840	2948	15901	1804	1898	3189	21477	8838	22606	0	11312	9926	12930	4547	8388	11443	11170	5411	10519	7820	11162	27873	1408	0	845	8800	0	0	0	2374	0	0	15214	3856	6865	6033	2417	0	5785	1273	14180	9560	0	0	7441	0	4112	6293	12882	4547	9706	0	0	2117	0	4523	4036	2613	3172	5968	0	13072	16398	5934	13900	1509	643	0	2064	11177	21557	11050	15704	1349	0	0	6126	5154	3631	0	7341	6467	3087	1345	0	11912	8422	2397	0	6700	2148	0	22190	3294	Peptide	0.6666667	1.3333334	0.26666668
14	C21 H20 O11	449.10785	449.10846	-0.029743774	449.10782	350730	346520	331197	321751	407492	227644	139108	177374	436848	849584	463565	136911	641383	175475	197352	173960	120752	467921	419649	569708	1214873	725192	190669	172102	93981	215586	110486	307498	121758	123002	132842	146920	191428	122388	1056971	134994	180137	157272	122058	385712	469629	162960	9144	956	866	545828	828705	1550	141378	134532	312353	339589	264294	682	417662	329946	185746	203524	228958	167754	215034	348460	1235408	403996	167485	485024	201275	142987	315392	350809	408658	142451	128543	112888	111465	130502	682	149435	266608	453698	228875	1013899	113122	218762	377290	191002	219218	176762	203624	180510	166405	223079	233311	597479	577160	1928	346339	305418	371036	375667	351514	174710	146026	208808	665382	166561	315423	0	122862	513275	Phytochemical	0.52380955	0.95238096	0.0
22	C21 H20 O11	449.10785	449.1084	-0.02664611	449.10782	35059	31635	26355	30398	55817	38306	8674	8462	56499	74475	29739	8618	90223	27949	18734	10037	9917	72557	45644	47270	50169	63098	21452	15520	12168	19792	5880	15747	8319	7166	9680	6569	12189	8485	75324	3519	13415	13440	7846	33202	26557	8130	0	0	645	68353	72902	0	11046	8572	32312	28725	36290	788	75063	46096	20464	9981	16035	6912	11514	37786	94439	51558	14929	65142	24235	6691	39767	42573	49898	6825	5886	6350	6180	7017	913	13038	34438	30664	23400	56914	8395	25110	65919	32902	25581	13140	14282	10343	22008	27070	12190	50242	70895	0	31350	30724	45369	54173	43573	12870	10768	9707	57511	11197	45336	0	10133	96582	Phytochemical	0.52380955	0.95238096	0.0
18	C21 H20 O11	449.10785	449.1084	-0.023718452	449.10782	140872	143027	129406	125629	192205	126961	43408	56528	191226	337510	147456	43952	333967	94947	75341	57033	22964	248894	229447	246101	227138	268360	92670	70550	53299	77294	36161	94347	48422	30867	53356	45079	75602	44178	381569	41575	82243	64080	28018	159170	114581	56448	5057	654	770	233257	489640	1351	57337	42239	140271	131880	119856	529	254562	161069	79146	62244	76324	37085	59934	129239	323854	187970	71774	227217	98999	40117	93386	140267	131692	54950	45577	30089	29247	39904	941	49744	102848	138398	84945	230349	39051	86284	180001	105360	92470	61245	76023	38117	196069	191076	86302	183192	239216	1644	136944	133466	162335	160518	153629	53240	44854	62486	189524	53369	132130	727	41773	290208	Phytochemical	0.52380955	0.95238096	0.0
8	C21 H20 O11	449.10785	449.10855	-0.06518407	449.10782	23007	25662	19138	20422	21987	11035	8113	7590	33808	48472	38371	10758	31914	9905	8081	14992	13227	22263	26069	28629	40719	32482	14254	11734	1795	11559	8520	15069	7003	7657	7754	9280	9372	7384	58618	7345	8481	9453	15605	21416	38850	11054	0	0	0	19996	48671	0	10100	10238	24910	20190	13128	0	28092	25491	12616	7936	7043	14474	14834	16530	38081	27766	11104	24736	11341	12802	27375	20366	42287	9749	10977	5043	32709	9442	0	7439	18791	11475	13648	19278	5854	8539	29068	10037	18415	13495	11780	17713	0	9139	11937	30573	25928	0	24004	18230	25946	31574	27050	13237	9173	8571	23609	9320	23589	0	5852	34446	Phytochemical	0.52380955	0.95238096	0.0
24	C21 H20 O11	449.10785	449.10837	0.07487601	449.10788	16384	15155	15733	12851	30664	16228	2777	3331	34172	46800	10595	5427	58694	12995	9073	5037	2111	38229	24863	28238	19278	31952	8930	5283	5636	11830	2653	9319	2674	2172	4524	1892	4780	2814	46828	2410	7019	6959	2105	14263	10500	6921	0	0	0	26909	34516	0	2554	0	14733	15947	15013	0	41280	30151	11319	3569	4649	4673	3258	15840	59189	29034	7678	32052	7617	2132	13753	22593	22849	4419	2390	0	0	2111	0	2892	19458	16323	16916	23145	2473	10067	38582	17166	11021	6572	8930	3999	6611	13216	4843	29661	43390	0	16073	16520	19067	22845	25021	4651	2355	4761	20148	4584	22222	0	4476	58017	Phytochemical	0.52380955	0.95238096	0.0
10	C21 H20 O11	449.10785	449.1085	-0.052524008	449.10782	64249	59526	52995	54452	56133	31589	22799	25470	67875	131788	96934	28660	83103	25409	25554	35709	28927	69249	64774	89656	116099	94844	38164	37993	11128	30756	26286	43539	22647	21256	21640	25466	36401	24204	325082	22713	34029	31177	36850	58694	170538	24363	1089	0	0	62587	130334	0	32019	23837	62266	60764	37921	0	68339	49044	32412	36768	26193	35632	35487	48901	181622	57936	30070	65023	34966	43339	64418	61543	91770	27981	20577	19768	50009	23573	0	24544	57267	50949	42464	62862	17715	25073	72647	30793	44538	23611	30778	43844	22120	27478	32460	210461	96313	0	63404	52356	75229	69720	64605	33686	25612	26907	83260	27789	65555	0	19179	83048	Phytochemical	0.52380955	0.95238096	0.0
26	C21 H20 O11	449.10785	449.10843	0.13059679	449.1079	8262	6619	7208	9851	18869	10134	0	0	18588	24249	5259	3308	38227	7850	6488	0	0	26698	21100	17576	17219	15306	8754	0	0	0	0	3548	0	0	0	0	3866	0	23107	0	3659	4467	2473	9138	8214	0	0	0	0	14148	16792	0	0	0	10966	7928	10343	0	27501	20531	5786	3993	4115	0	4484	7877	31791	18035	2329	20466	3395	0	12139	17471	11713	0	0	0	0	2209	0	0	9031	4986	10325	13127	0	5952	21864	12730	7356	5777	5216	1513	5417	6516	0	15771	31021	0	6022	8189	12475	14599	11271	0	3096	0	11895	2763	10566	0	4631	33463	Phytochemical	0.52380955	0.95238096	0.0
6	C20 H20 O10 N2	449.11908	449.11984	-0.047445502	449.11905	11628	12575	11501	10250	10670	3181	2885	5579	12597	20304	13528	4563	23805	3329	4713	4694	7565	11510	14072	10505	25815	21617	5328	5564	1741	2438	3307	3097	4205	4253	4358	5031	8936	3870	26534	3978	5503	3919	6960	14210	30513	6580	0	0	0	14032	35195	0	6365	4889	9303	9204	8700	0	15934	13388	5866	5873	4557	7003	7679	9905	27402	13915	5983	12799	6038	11087	8506	6315	12060	5018	4821	3418	4445	3610	0	4539	6345	6362	5026	10122	1962	3910	13232	5551	8285	7228	6150	12039	0	7023	13363	17196	15202	0	8861	12291	8596	12967	14998	8792	4744	5843	19596	7395	10145	0	3084	26401	Phytochemical	0.5	1.0	0.1
12	C20 H20 O10 N2	449.11908	449.11972	-0.054612037	449.11905	65106	67623	63428	53835	50573	34401	30577	36488	60772	121717	82729	32091	86368	19479	30792	39684	40851	63850	74409	108311	147473	142747	43614	44672	20062	21817	23515	28623	25437	25291	36082	30584	53891	30136	179182	27258	41389	31606	44342	118738	179512	30957	979	0	0	133689	234891	0	31303	32324	63328	66657	39869	0	80443	49703	26855	37503	41156	44155	28310	110148	113753	62989	25755	72652	36460	47406	67450	52724	77662	28653	32961	21148	31719	28218	0	27711	43361	99108	35991	116414	24622	43818	59374	32632	45475	30500	36690	87527	36118	53626	65028	137268	94627	0	71533	67700	44964	54294	51082	47544	26158	41454	148504	44751	47551	0	26610	103843	Phytochemical	0.5	1.0	0.1
8	C20 H20 O10 N2	449.11908	449.11978	-0.06741563	449.11905	29279	31125	22874	29125	24431	12146	10115	17378	34966	63193	43971	19038	47154	11414	12167	21442	19472	28081	36438	43294	65592	67229	18660	19887	5569	7393	9544	11613	10114	14968	15460	16742	18568	12830	78995	12704	19358	11907	26086	51307	81951	16065	0	0	0	56198	128133	0	15957	14738	30385	29919	17354	0	31750	29428	14400	17556	14158	19921	25532	42886	65311	41465	15308	32088	19166	20500	23939	15894	41456	13699	15476	11128	10556	12600	0	10257	20368	28881	13972	43533	10368	17304	26811	13282	15960	19233	18056	29848	0	16854	29654	55661	54369	0	33472	31432	27077	34484	27414	24244	13801	20545	66060	20170	23069	0	9045	54025	Phytochemical	0.5	1.0	0.1
16	C20 H20 O10 N2	449.11908	449.11966	-0.039703317	449.11905	42961	42015	43985	45383	40760	29120	13188	22865	48149	91654	41674	21247	84377	17678	20207	30269	15153	68754	58717	72036	68773	107167	34380	27189	22301	14654	16073	22718	16096	15567	15732	21422	30885	16311	131587	13562	36629	22167	20148	91895	83126	23538	877	0	0	86873	133701	0	24286	19951	47110	39026	30892	0	63711	41290	21454	25311	24274	18722	28576	65060	74510	50204	18653	46695	26385	18540	30121	28407	42701	20192	17361	12250	18164	15388	0	18641	36300	68996	19765	72790	16591	38381	44108	20380	26690	20818	25260	45135	30253	40294	45283	85849	83481	0	47474	39740	26855	35025	38682	30262	15535	32610	72626	31300	33889	0	20532	78486	Phytochemical	0.5	1.0	0.1
18	C20 H20 O10 N2	449.11908	449.11963	-0.015101394	449.11908	23816	22574	20753	18353	22357	16681	10082	9225	31354	47244	20330	9542	46173	12654	11445	11974	11837	34786	33493	34086	36081	65459	14576	17441	10004	5851	8333	14991	8906	6749	9650	7492	17543	7201	62792	9106	25582	12303	12865	50866	41644	9176	931	0	0	47047	69236	0	9054	7631	27103	26335	19799	0	38386	24958	11697	15211	11037	7297	14550	39899	46983	26047	12304	36232	18809	8765	9133	13745	21662	5166	10395	5112	8420	6584	0	10117	22399	30083	19128	43637	10266	22532	25523	13513	18831	15648	15700	21965	14348	23018	30395	45200	47552	0	23159	22810	19055	20746	22260	12123	7550	10861	45072	20773	19741	0	13140	46436	Phytochemical	0.5	1.0	0.1
18	C25 H20 O8	449.1231	449.12363	-0.14684883	449.12302	10884	8684	13536	9571	9264	4697	3703	1871	10113	34009	28121	1610	7147	7831	4475	8029	3151	8150	12005	21413	22539	15639	2767	3929	4123	55540	2789	16499	0	3909	4004	0	5520	0	35907	0	2457	5431	3867	12866	14230	2699	0	0	0	10119	15162	0	3117	3229	9992	8750	5156	0	5083	7660	4542	3635	2675	3044	3982	7666	10409	7284	4061	7416	6983	5342	46301	43779	82734	2058	2027	1786	1510	0	0	2412	6065	10348	4007	12604	4865	17895	12096	6960	7958	5500	5832	5939	4532	6077	3123	16258	19747	0	10410	9564	9211	7834	6571	4190	1458	0	6575	3369	7540	0	4415	7676	Phytochemical	0.32	0.8	0.0
16	C25 H20 O8	449.1231	449.12366	-0.18872838	449.12302	4508	6889	3885	5246	3908	2081	1061	1810	4167	10892	9335	1727	0	2430	3617	3947	0	3805	3490	7544	7622	5357	4038	3637	2440	20219	2618	6863	2740	2079	0	0	2654	1668	22769	2080	3987	2963	2596	7480	4744	4651	0	0	0	4805	5973	0	2178	1395	4535	4263	2859	0	3136	1664	3611	2275	2660	1976	0	2730	3627	2746	2186	4423	2887	3251	20178	14179	30147	0	3244	2131	0	0	0	3103	3807	5405	1815	6857	2833	5658	5212	3238	4435	2063	2484	0	3731	2979	0	5948	10667	0	0	3120	5007	5295	3286	2583	2897	3200	5500	0	3782	0	3622	0	Phytochemical	0.32	0.8	0.0
22	C25 H20 O8	449.1231	449.1236	-0.07398014	449.12305	29296	26464	27270	32753	32607	19946	11998	12344	41487	75233	62423	14021	43817	8352	13212	11567	11981	34630	26487	44600	43711	62628	13412	16765	10805	90425	7919	47864	2060	7555	7571	11079	18127	8886	83380	7182	24358	10317	9997	44754	57418	22126	0	0	0	47265	84518	0	19319	0	27782	27058	27853	855	41837	29532	20180	12753	13256	4893	12166	36020	55668	20972	17786	35691	23494	13212	76736	83045	125259	11775	0	0	6113	3053	0	16861	21707	52954	21438	50973	11367	36209	38678	26942	23783	8222	17245	17432	16074	20098	26633	65064	62511	0	29581	28809	27627	32924	26092	11973	7981	17304	47122	13349	30139	0	10309	39833	Phytochemical	0.32	0.8	0.0
26	C25 H20 O8	449.1231	449.1235	-0.10663003	449.12305	4112	4398	4998	4659	2844	3555	0	0	5063	10987	8740	0	0	0	0	0	0	0	5887	7223	9060	7343	0	0	0	19789	0	5489	0	0	0	0	0	0	10997	0	0	0	0	5933	9372	0	0	0	0	0	7893	0	0	0	4852	4154	2913	0	0	0	0	2616	0	0	0	5240	4519	3438	3406	2822	2432	0	30751	16649	34601	0	0	0	0	0	0	0	4079	7764	2562	5730	0	5482	0	0	4153	2627	0	3053	1919	0	0	12438	7869	0	3712	0	3615	6548	0	0	0	0	0	0	0	0	0	5159	Phytochemical	0.32	0.8	0.0
24	C25 H20 O8	449.1231	449.12357	-0.12216408	449.12305	7742	10622	9086	8385	7375	4304	0	1395	11246	29937	23703	1346	8377	4351	3886	1282	1967	8348	12374	18897	20738	12495	3503	0	2804	53930	0	21413	1861	0	1137	0	2662	1103	31560	0	0	3143	2468	10857	18300	2971	0	0	0	12447	23429	0	2197	1692	7937	5863	7885	0	4955	8359	5856	2241	2907	2949	0	10000	11050	8978	2706	9431	6026	2329	51171	42336	64662	1312	0	0	1348	889	0	1568	7400	15866	7475	14267	4124	10929	15873	7188	4869	4173	3897	3954	4758	3743	4031	22347	21741	0	9160	4369	11227	8628	9596	2867	1993	2829	10557	2366	8404	0	3085	7971	Phytochemical	0.32	0.8	0.0
22	C22 H24 O8 S1	449.12646	449.12704	0.2829621	449.1266	17567	14590	34150	28860	21158	10764	2801	3291	15791	60575	27209	3821	14380	0	11686	7666	2507	14415	9159	42121	45565	40022	6144	15842	4815	82704	2917	26264	3000	0	2199	0	5808	2631	52852	2879	6942	3819	2865	34171	24431	4241	0	0	0	35218	44652	0	3605	1265	31806	14606	12381	0	15384	10334	4771	5371	8643	13094	13008	64122	14597	8678	4390	16169	8803	5947	40305	143028	55108	2521	1729	0	2664	2724	254	9722	7632	24125	4846	35110	9128	59294	13965	20568	19010	14394	8534	14284	21479	28161	9865	65930	52521	0	35802	27998	13407	20450	11063	3763	1973	6299	19992	4646	20422	0	4219	47422	Organosulfur	0.36363637	1.0909091	0.0
6	C22 H24 O10	449.14423	449.14496	-0.001029827	449.14423	16588	20624	12956	17544	6460	6830	10866	20099	14939	30930	22946	13992	13917	5687	11270	12936	20060	8585	19832	21202	63244	39224	14146	22382	6000	13154	7218	7374	9526	15808	13958	13414	19185	12235	52594	12308	13638	12456	12988	15782	50408	9582	0	0	0	14826	23652	0	14986	15976	11212	23193	8002	668	16621	9130	7108	10166	11906	17670	14140	12860	16502	9406	6268	12242	6309	23232	18198	21154	26666	10914	15778	14482	10526	14176	0	8028	17031	0	12899	25734	12176	9472	16848	5904	17110	12429	12790	22158	6134	13344	22063	32509	18494	0	22286	14406	8462	19353	9632	14588	11763	15852	0	12507	12722	0	11412	20380	Phytochemical	0.45454547	1.0909091	0.0
22	C22 H24 O10	449.14423	449.14474	-0.07108224	449.1442	104480	108308	99990	105524	116194	89685	39883	75556	137930	235692	83427	44625	172177	60937	74971	56470	32909	170703	116617	191151	183826	123957	69446	67876	66163	120847	35388	65648	63725	48863	58332	53956	72453	64335	252156	57590	83793	65510	39239	120965	85552	46738	5554	0	1216	173480	140036	0	60889	60080	102416	95692	87446	1171	152185	101169	58776	79933	62644	27332	76244	101995	187966	125176	49989	141671	65020	44753	112901	212175	144393	68533	66500	58245	30867	48082	1235	50396	98475	63275	74837	121386	45771	89912	138830	78352	83335	47343	56894	37815	66955	81058	83899	85474	124604	0	97667	91072	101478	101034	96942	64474	40714	72069	124007	61058	96088	0	57599	204732	Phytochemical	0.45454547	1.0909091	0.0
12	C22 H24 O10	449.14423	449.1449	-0.036288112	449.1442	882668	989889	913468	945084	523212	207865	333257	804648	700312	1961168	1287438	262635	594572	142504	536424	394861	322375	625383	768769	1641473	1650588	630339	601441	390104	219085	1092894	282368	421346	313823	300801	647248	349666	355992	313294	2301657	617144	330895	574599	679986	1187480	1582563	180007	9374	1056	1046	1207557	1574798	0	801784	738610	919422	990872	464305	906	707964	443578	174170	773927	356249	392414	364160	845243	800386	586289	152385	601675	404812	362887	804494	791770	1696233	350777	328788	320948	287128	660077	940	554972	717489	302002	671197	952918	526047	789606	594792	180895	639637	178676	400803	409182	304848	385440	748544	459249	994453	3494	971092	523990	361030	505848	453180	391534	234439	411326	644416	298636	515139	1036	254334	737630	Phytochemical	0.45454547	1.0909091	0.0
28	C22 H24 O10	449.14423	449.14474	-0.03583818	449.1442	10642	8924	9400	8712	13233	8878	2900	4744	12299	22775	7214	4231	22263	6052	5504	6190	3550	16561	12398	23275	22957	11864	8649	7431	5875	14085	3151	6159	3115	5024	5354	3120	5970	3623	32473	4177	5544	3963	3239	11434	7629	4833	0	0	0	14393	11545	1271	5776	5253	9332	8396	8480	0	15725	10052	4595	5875	4450	2787	6712	9684	19464	12536	5193	16607	8026	3941	15915	26745	20483	5725	2940	3729	3254	3760	0	3186	11809	7547	8230	10046	4879	8712	16142	9177	9955	3980	5690	3638	8459	7911	9435	9027	14609	0	10285	10398	7593	13375	9834	6083	4077	6917	13913	5649	8810	0	4218	21601	Phytochemical	0.45454547	1.0909091	0.0
20	C22 H24 O10	449.14423	449.14474	-0.038029917	449.1442	279832	289557	267785	249473	290266	233706	101734	180561	331809	707001	254556	111146	441440	170611	180583	162473	96077	360846	352790	540416	499472	351405	183167	192778	151383	338363	93454	213239	184308	139478	173875	147697	186855	172401	793754	146457	228802	131733	100201	402050	266782	123438	8752	1809	1526	441247	380909	2039	183933	138304	278980	277232	204534	1830	338738	204455	142272	190166	176255	103442	185217	263497	394330	289112	115853	285879	184993	117868	299195	604159	467178	189259	167497	137959	110851	143037	1525	146924	226564	183377	181103	299808	142629	240321	258429	166466	202924	131702	156110	118904	203790	226799	230453	252531	317475	2534	277731	245944	242679	233323	222283	155855	125709	200169	288479	160773	201923	2014	138355	476797	Phytochemical	0.45454547	1.0909091	0.0
26	C22 H24 O10	449.14423	449.14474	-0.053274713	449.1442	14444	16796	17602	15967	17248	19451	2769	10707	26503	49106	13929	7061	49826	10973	9174	12893	0	33985	23361	39608	35704	22058	10872	14460	8298	19454	3015	11499	0	7722	6645	8745	7166	7439	51921	7963	9544	10206	6376	25149	17403	0	0	0	0	29466	28472	0	9026	5988	17252	16590	15495	0	38083	20407	11563	12009	8706	4484	11568	15078	39998	22882	7521	27662	11897	4309	22379	43467	29348	8165	8378	0	0	5867	0	8276	13702	9150	12778	17198	5955	14839	29157	15637	12890	7371	7660	5453	8295	9998	14212	14345	26717	0	16016	15050	15955	24116	20042	7505	6743	7483	13727	7904	15897	0	6404	40890	Phytochemical	0.45454547	1.0909091	0.0
24	C22 H24 O10	449.14423	449.1447	-0.08024849	449.1442	41382	35079	38600	34255	47850	33669	8286	20448	54934	98323	30403	13520	84839	25933	24810	21261	8756	59717	53057	73100	72227	44129	28805	22595	17096	45147	12107	21630	13973	12969	18371	15522	22257	15605	94428	19809	24441	19010	13522	45072	28271	14661	2673	0	0	54252	50020	0	20792	14311	37899	34437	30234	0	56645	43680	20243	25568	16938	13424	20439	28615	72172	47898	14577	59557	21136	10644	35745	77781	55258	21382	16979	14219	8880	14728	0	18387	34465	23813	32761	40388	15218	27380	56301	25322	34333	16896	22186	12556	24410	27422	31378	38325	61775	0	39886	34796	33009	41910	39659	17448	14875	22659	39177	17126	35899	0	18077	84904	Phytochemical	0.45454547	1.0909091	0.0
6	C21 H24 O9 N2	449.15546	449.1562	-0.07344357	449.15543	42635	44821	36672	37793	23591	16857	19738	35323	32875	84196	46768	22000	47500	12301	20988	35696	28829	35019	40193	63436	88190	68938	25463	39246	13470	16663	16885	27700	23979	26867	29281	33412	37703	29374	102482	29231	33896	21919	36971	52312	79714	19056	0	0	0	51700	87891	0	34295	27374	38775	40578	23569	0	42943	25222	13876	37312	26295	34117	33339	43451	52685	30592	16247	34617	25230	38411	28880	36133	52353	28377	24414	22911	15614	22592	0	17167	26045	28404	21903	33095	19122	24070	30274	18351	29389	22879	22309	52821	26688	37083	52886	46645	66421	0	37431	41874	18729	29599	29819	39303	20944	42966	35959	35711	22902	0	18924	45218	Phytochemical	0.42857143	1.1428572	0.0952381
8	C21 H24 O9 N2	449.15546	449.15613	-0.08745366	449.15543	85175	98865	64497	88429	49178	38275	40087	75562	62869	173612	84973	51831	82825	21210	49722	73300	67670	58199	81635	155523	166351	157883	59760	87218	32652	36058	38778	61221	64797	62426	61093	78514	76044	58185	225809	63686	70078	41501	77415	144688	160217	40766	457	0	0	134992	162733	0	79828	63585	85652	92391	45556	0	70828	46810	32715	78437	63453	73500	87400	95418	89847	71253	30492	70222	47750	81121	65350	80796	111576	67110	58712	54296	46098	61515	0	41601	62821	71940	47284	80401	46797	72858	46464	29824	57417	49550	50742	92073	70730	92198	119678	108798	136927	0	92593	89909	43406	55379	51667	78457	50927	96927	87479	71290	41334	0	43236	85295	Phytochemical	0.42857143	1.1428572	0.0952381
4	C21 H24 O9 N2	449.15546	449.15625	-0.11675933	449.1554	8665	8787	7267	8317	6680	3377	3671	7934	8152	14807	12228	4657	11700	2977	4856	9319	7038	7820	8975	12474	18436	16144	6251	8541	2822	4323	3474	4102	3812	4618	5259	5391	7363	5006	20176	6704	7684	4473	12970	11901	17519	4700	0	0	0	10631	24077	0	7174	6140	7444	8150	5735	0	10394	9370	3574	5648	5728	7964	9255	10277	12414	9611	4558	8049	4775	9868	8075	5806	10422	5764	4061	5102	2904	4413	0	4229	6993	6321	6226	7689	4183	5794	9451	4959	5434	6014	6229	10964	5751	8661	14041	12146	11707	0	7688	7920	7232	10736	9448	7645	3828	10275	8533	5683	6934	0	3830	12810	Phytochemical	0.42857143	1.1428572	0.0952381
10	C21 H24 O9 N2	449.15546	449.1561	-0.07712738	449.15543	143318	127281	126530	120337	78031	56910	79948	129492	86170	255140	139462	78863	102189	41280	85959	118901	92621	106115	119858	217206	255057	236834	100838	134958	72619	76981	68442	96982	101286	108774	108000	119767	135455	110491	326394	110902	134950	82883	112611	244054	215557	63603	1222	0	0	213587	212670	0	135243	105761	143522	143925	74924	0	109910	54201	46431	125903	116162	107076	129630	161100	110159	93095	47038	100589	68678	131129	104128	143796	151129	119099	105625	106866	82331	99842	0	81952	101684	110068	84191	136346	90391	106350	68688	51664	98060	64705	70196	139951	124171	151719	186789	147323	194691	0	133975	133498	63309	60099	59898	135512	73627	157832	183292	117416	59744	0	81975	115467	Phytochemical	0.42857143	1.1428572	0.0952381
14	C21 H24 O9 N2	449.15546	449.15604	-0.11977755	449.1554	154605	158774	156825	153903	92219	85890	104281	162797	107579	239596	119285	84415	142359	53110	122666	148839	111206	130365	134896	248394	250678	302013	118974	176621	117024	82003	85995	113237	136992	121409	130229	163717	171209	112619	339982	131636	154480	103481	127014	253183	206857	78798	2674	0	0	233466	204804	0	141382	111078	135737	142174	90013	0	145793	76939	63273	168769	198087	114126	140785	187507	133167	112790	52738	117321	82645	118394	93507	188451	130331	130640	119458	132313	101900	114085	0	108694	115341	134182	106527	140393	118152	134435	79278	71332	120946	91767	99676	178930	152000	169249	231719	157855	195496	504	161737	152046	73990	81034	76360	148866	93188	199549	176236	148964	73810	0	109704	139073	Phytochemical	0.42857143	1.1428572	0.0952381
18	C21 H24 O9 N2	449.15546	449.15598	-0.13356602	449.1554	57955	54169	53268	49900	47704	43071	35138	49339	46047	97750	43665	31578	74329	27322	54009	52515	37366	65861	58136	84067	76464	92620	45074	63321	43577	19896	36162	38573	47733	41573	50808	50856	64225	51049	119111	47615	67075	40542	34815	90315	53024	35592	762	0	0	77684	50790	0	59292	41772	65538	45829	40971	0	65362	34879	23748	66861	49009	28682	47644	58348	64912	35474	21702	55343	36338	42128	22763	52533	42496	44654	35738	43254	25189	37939	0	36013	48946	48083	43542	58246	43694	49512	40383	31927	47447	34330	34806	56350	60144	86096	106272	56176	67816	0	56675	53384	31248	30291	29656	53598	32926	54637	46610	55350	31643	0	43593	64662	Phytochemical	0.42857143	1.1428572	0.0952381
12	C21 H24 O9 N2	449.15546	449.15607	-0.108677186	449.1554	159316	171755	167243	160400	90852	84714	116881	173757	109923	296781	153869	98459	111603	43980	115900	144768	128613	125635	162006	264944	279709	297388	127714	175676	101731	86063	90139	131180	148957	123532	144429	143796	176394	126782	363410	127262	161844	120780	141987	299841	284665	78797	1440	0	0	266611	260712	0	153715	143496	164323	164525	87865	304	154081	75378	59519	157424	177669	148326	169835	216655	154891	103974	50311	122900	88516	148011	136544	199412	176980	140303	123296	132057	93899	122249	0	120372	115631	153682	115225	175122	112743	144128	80145	64566	116089	75443	91615	210782	157935	182849	222732	192935	176594	0	169002	167859	79105	74877	70319	162466	95184	176504	211106	161114	71887	0	101108	154775	Phytochemical	0.42857143	1.1428572	0.0952381
20	C26 H24 O7	449.1595	449.16003	-0.025593488	449.15945	28869	25717	20446	25944	22624	10012	5677	13417	25691	45335	54939	7718	16524	18049	8790	13138	8571	20046	24740	45821	49088	19374	12350	12112	8070	136249	8587	44366	7601	9359	7600	10902	9762	9073	63683	9466	8248	10126	7959	28397	46590	11279	587	0	0	22213	28285	0	10441	6968	27214	21427	15147	285	16950	22436	11200	17651	7796	11678	13868	21343	22035	16208	13367	21599	13126	7782	102859	106343	167731	9605	9679	5112	8739	7931	0	6678	23285	22266	15772	17637	11730	35999	27236	12210	28230	7800	8021	17539	14295	22211	14424	29115	28740	0	21489	24165	22816	23451	23274	10077	7995	15943	14300	13189	20370	0	12709	22363	Phytochemical	0.26923078	0.9230769	0.0
26	C26 H24 O7	449.1595	449.15997	-0.05842902	449.15945	9468	4815	8804	6801	8264	4925	1541	0	10801	13415	17289	0	8109	3607	0	0	0	5314	12198	10680	17380	6072	0	0	0	45728	0	16189	0	0	0	0	2142	0	21738	0	0	0	2669	14024	19621	0	0	0	0	9123	16402	0	0	0	7331	7096	7104	0	0	0	0	2555	3146	4177	0	9666	9345	6530	4657	9768	4526	3369	53629	38877	60244	0	0	0	0	0	0	0	6530	8370	5054	6948	3132	15599	11012	0	7174	4462	0	7003	2066	2583	6608	7595	12916	0	7693	6865	7681	10864	10407	0	0	0	0	3542	7035	0	0	6545	Phytochemical	0.26923078	0.9230769	0.0
24	C26 H24 O7	449.1595	449.15997	-0.08046957	449.15945	23924	26200	25561	21924	26869	9467	6216	7526	27545	49215	62652	9431	24056	15430	15758	11375	9381	21004	26348	51438	46065	18397	12579	14250	5790	125065	3396	52337	4042	4916	8585	10939	11617	9443	57817	6909	16435	11052	7893	37561	48038	7474	0	0	0	32604	38403	0	3894	4610	22710	22442	13716	0	24560	16778	13250	11420	6761	8055	14506	29425	26939	17183	11423	25651	19701	7307	117271	98040	145894	4607	9307	6298	8950	4980	0	8334	23891	25998	12837	25392	9137	34212	29337	14605	17046	14682	14196	10682	12925	13719	19995	30807	28609	0	20860	24840	21674	23542	27136	17186	6173	12621	24256	14037	25881	0	12034	22358	Phytochemical	0.26923078	0.9230769	0.0
18	C26 H24 O7	449.1595	449.16	-0.15448199	449.15942	11398	10935	10250	13017	11505	6279	5745	10399	8133	15566	26845	5119	9365	8050	4392	7527	7663	8902	14718	27810	24849	8656	10067	7143	8172	55601	5228	18863	5035	6082	5491	7483	8497	0	26865	6146	7448	6991	6155	12988	17526	6415	0	0	0	14111	10264	0	6103	7664	14862	10265	7695	0	6224	9653	5783	9584	4031	8015	7599	10660	10730	10646	3836	9328	5532	6095	47400	51042	68147	4955	4830	4458	5601	0	0	5528	14978	12018	11083	11827	7272	10374	15861	4933	12782	7167	7656	10664	10755	9602	12087	8565	13446	0	9406	13983	12531	11054	7188	6543	6171	8231	6833	7000	7979	0	7732	7916	Phytochemical	0.26923078	0.9230769	0.0
28	C26 H24 O7	449.1595	449.1598	-0.18987365	449.1594	4078	4240	3892	4296	3252	2139	1606	0	5388	6079	6763	2289	4730	3732	0	0	2666	2935	4258	4535	6305	3315	0	0	0	14370	1401	7054	0	0	2230	2086	1598	2175	5826	0	1752	2331	2733	6171	8115	2763	1696	1442	0	2911	5919	1284	1870	0	3574	3397	4292	0	2098	2901	1687	2342	1930	2899	0	3747	4156	3454	2257	2967	3680	2767	17589	15343	25880	2469	1802	0	0	1674	0	1562	3211	4493	2757	5047	1761	6062	5965	3039	3458	1954	3801	2465	1391	2175	2400	4936	3550	1417	4021	2516	3598	4403	6932	0	2630	0	0	2962	4460	1876	2698	3019	Phytochemical	0.26923078	0.9230769	0.0
22	C26 H24 O7	449.1595	449.15997	-0.10024358	449.15942	30531	27115	28090	29530	29835	16292	6218	11148	32800	70977	80731	7608	22031	23175	9628	12427	10258	23665	30406	58200	65766	25708	13262	10997	12959	178495	6568	73827	7722	7107	7364	7728	13241	7617	62370	8492	11427	11623	12483	49444	54558	13479	0	0	0	33365	37170	0	7294	10555	30834	27491	24312	0	23082	29493	12607	13214	11663	10039	14141	33095	24111	20162	17275	25243	23107	11515	146895	144788	198813	10736	7954	2897	6788	7693	0	9452	20236	24558	18147	27856	12686	37013	32403	22239	22478	15953	18569	15711	11027	21931	15483	31058	39327	0	26354	26129	26169	26895	28039	13007	8003	15681	24560	12751	31426	0	11441	29987	Phytochemical	0.26923078	0.9230769	0.0
16	C26 H24 O7	449.1595	449.15994	-0.19139904	449.1594	7483	3805	2880	4595	3170	2137	1570	2535	3069	6324	7759	4308	3928	3161	1998	6040	4470	4654	3516	9094	7062	5304	3100	5017	2189	19448	3061	4645	2610	2876	2557	0	3998	3620	13650	4493	2925	2850	4241	3378	5682	2923	250	0	0	4328	3503	0	3294	4309	8425	5170	2378	0	4527	3184	3977	3710	2298	3392	0	3121	3410	0	2290	0	3497	3676	16425	16774	27238	3384	2808	3769	4669	4817	0	3731	5353	0	2207	3864	3996	5756	7269	1259	8252	2414	3439	0	4566	3907	0	3706	4217	0	6880	5042	3493	5702	5141	0	2560	0	0	0	1757	0	5287	3011	Phytochemical	0.26923078	0.9230769	0.0
24	C23 H28 O7 S1	449.16284	449.16342	0.080317736	449.16287	20472	21757	39144	20222	28746	15538	4912	4649	11896	60231	35243	7498	32406	10060	6165	4828	15164	43926	15716	69326	117704	35847	7506	7790	6385	109148	3006	36450	15266	3814	3935	12156	16148	3963	74473	5118	7406	5447	5789	47825	70640	9801	0	0	0	59296	38780	0	4297	1755	15508	34504	10787	0	13709	17794	6039	10074	36098	9820	16596	37951	10365	10122	4070	26814	6497	13044	93114	76993	66776	4252	4312	1667	4254	4109	0	3102	11100	22853	5051	17052	11640	34708	22208	11657	18604	7222	5259	8324	31765	40534	28872	33310	49650	0	14867	33674	11104	11159	8725	7108	2181	17183	18373	20466	9786	0	11354	27848	Organosulfur	0.3043478	1.2173913	0.0
6	C20 H24 O8 N4	449.1667	449.1674	-0.14011236	449.16663	13177	9686	12709	11865	4886	4425	8018	14222	5519	7607	7259	6329	5676	2119	11347	14373	10662	5839	11040	7382	10698	15870	9618	15714	8192	1488	6925	8378	8667	11745	10029	10917	13177	9542	8615	8402	11822	7716	15814	10184	11094	4798	0	0	0	10243	14578	0	12332	11343	13043	11222	5340	0	6579	4681	4552	15629	9165	9026	12051	6345	7826	5991	3482	5502	6068	19900	4174	3593	5663	11670	9563	7935	5495	8148	0	5340	8934	12699	8225	5671	5892	3501	4815	4721	11687	8629	5847	24191	25115	17772	23610	10354	7175	0	10578	12016	3519	3342	4556	15519	7683	11836	0	15373	4033	0	9198	8490	Peptide	0.4	1.2	0.2
8	C20 H24 O8 N4	449.1667	449.16733	-0.15873659	449.16663	11877	13240	13290	13015	5932	5054	9077	15178	6824	11525	7251	10376	6573	3243	10722	19866	12810	6939	10248	9903	10156	22380	14298	18474	10477	0	8978	9834	12505	10182	11569	14612	14807	10823	14494	10930	16313	9028	12427	10128	16517	7512	0	0	0	11994	10245	0	16562	13742	14630	12402	5790	0	6216	2845	3965	14929	10490	9296	17555	10682	8932	4564	4822	6852	7422	20575	0	3225	0	13568	12605	8664	9614	11257	0	9601	10008	23794	9837	7973	9131	4809	6417	5464	11469	6820	7746	26798	36361	28482	32060	10044	11027	0	15644	12344	3431	3798	0	11564	9780	19692	0	17105	6164	0	9793	7935	Peptide	0.4	1.2	0.2
10	C20 H24 O8 N4	449.1667	449.16736	-0.12673952	449.16663	11309	7774	7741	11205	5762	6783	9317	13520	6146	5914	6356	7709	5799	0	10406	13912	13652	7842	9383	6584	5880	15434	11791	18973	10398	0	6117	5928	13478	8806	11683	10759	13295	11995	10853	12079	15676	10615	13758	9515	7857	5486	0	0	0	8815	9610	0	14728	12055	9879	10110	7371	0	8806	3667	4016	15253	10131	8733	14030	6367	5691	5553	4595	9466	6214	16636	0	3959	0	13983	10498	8344	7285	10954	0	7511	13179	11519	8227	5517	10187	6094	3510	6123	11097	8330	7053	19096	23483	16867	27683	5610	8133	0	10072	10830	4043	3690	2739	7693	8394	17554	0	14606	5188	0	12490	7955	Peptide	0.4	1.2	0.2
28	C23 H28 O9	449.1806	449.18106	-0.15402381	449.18054	21107	15695	18681	19629	18798	16105	8815	16948	21043	40590	13446	8530	42108	12931	14664	18647	8983	28193	31474	42466	38389	19464	17030	18380	11962	29531	9122	14668	15870	14757	14514	13504	20319	13835	41118	16144	15708	9948	10898	19113	18358	11262	2160	1764	0	16051	13582	0	14186	13913	18907	15397	16962	0	27687	17150	10158	17540	11119	7051	19689	12591	27354	19922	8182	26224	12500	9603	23982	56536	43043	14937	11795	13264	10398	12383	0	10114	19155	9837	14985	10840	12036	15154	20600	10584	15786	11162	13069	11346	17042	18241	21063	10784	20105	1867	19774	18005	12905	17481	23673	14294	10362	19056	12979	14264	12345	1904	10227	31625	Phytochemical	0.39130434	1.2173913	0.0
26	C23 H28 O9	449.1806	449.18112	-0.102797054	449.18057	40385	43104	38145	36979	40918	35144	13827	43135	45918	89266	28855	25340	76652	25520	35323	40622	18497	70783	57909	89752	85485	43140	34677	41675	23338	56088	13995	30656	27449	28622	31469	31107	32049	27359	88283	29869	34434	23383	21560	44450	39258	21916	0	0	0	42807	49865	0	36142	32747	42918	35873	26933	0	59567	38024	22565	36491	24202	16670	44441	26041	68205	42406	15317	42966	28962	18431	54637	100163	88680	33310	31458	27481	23314	27138	0	25405	40783	20859	40850	23745	22456	30679	57172	22625	34585	23057	23410	22418	30072	33658	41948	22202	37542	0	40358	38135	27936	42177	45130	35283	17584	28467	22283	24128	35706	0	24746	67974	Phytochemical	0.39130434	1.2173913	0.0
24	C23 H28 O9	449.1806	449.1811	-0.10094186	449.18057	114855	109063	94134	113709	111169	87158	42912	89000	125125	253214	90545	55465	192064	66491	79332	86617	42515	158830	144965	204396	177493	106579	95484	102941	70470	143173	37275	74280	72321	75426	73733	73086	92292	73478	235004	74227	106598	65010	53805	125228	88016	48380	5524	0	0	117609	95035	0	90485	75100	99639	102336	77656	0	160946	108349	51521	94831	77192	36715	86909	88004	163105	116325	48095	135597	72304	43752	128005	262768	199892	82765	70601	69219	44770	70545	0	70026	111692	46777	92732	70198	52090	82232	111632	71166	93716	49164	66804	54599	79562	99617	118068	54197	103654	0	100854	98592	81886	93965	93803	82555	51793	83145	68296	80317	82252	0	59465	182354	Phytochemical	0.39130434	1.2173913	0.0
22	C23 H28 O9	449.1806	449.18112	-0.05154564	449.18057	354632	346514	309590	350176	308178	290973	157067	330189	374156	849129	308641	162632	438391	207229	277587	261524	128810	504513	376258	730762	615201	380509	302324	322899	269408	466714	129370	270598	292419	239944	285758	292757	323520	252222	869525	269347	366661	228584	157924	433088	230416	165824	14916	0	2187	391958	252013	3517	286460	251590	331463	342209	246526	3253	478416	277198	174960	291395	273132	116434	274219	306849	478417	356389	129615	343700	216333	154678	392427	961759	589340	325239	249152	258542	145745	279155	3100	237130	301895	137096	264669	232015	189081	253445	326577	204716	251171	160127	206025	181276	302443	351400	359942	192244	305331	4099	326398	324478	263472	266903	230524	253725	190900	294108	248749	268067	239364	4601	193705	545498	Phytochemical	0.39130434	1.2173913	0.0
6	C22 H28 O8 N2	449.19183	449.19257	-0.14445761	449.19177	34452	35528	30656	33430	16614	18970	18657	38026	19414	56167	26194	18695	25148	10809	27435	41745	23677	24363	30381	52160	58521	56704	24079	39518	22209	16654	16396	19267	29179	29349	27238	36795	40774	28148	63084	30664	36819	21836	28009	42869	40275	16057	0	0	0	41790	37423	0	35306	30781	36750	32997	17807	0	29595	13550	11918	33012	16041	23456	41112	25858	24990	23637	11151	22207	17444	28664	17387	33208	25517	28919	25869	24187	18018	23004	0	17269	23418	20739	18600	18808	18511	21357	11546	13539	24056	17948	18927	43276	44153	45658	52663	30008	43576	0	31693	29713	11059	14725	14749	36067	16041	41658	23189	32420	13528	0	20169	24167	Phytochemical	0.36363637	1.2727273	0.09090909
20	C22 H28 O8 N2	449.19183	449.1923	-0.14807507	449.19177	20529	24310	25140	19542	17166	23957	16303	23444	17190	34965	13856	13275	26509	10355	22192	24068	15070	23358	25191	34306	27288	30331	21178	30752	23441	5473	13957	14580	23512	16842	23625	27050	30970	28987	42488	25589	42036	16466	15650	32201	16403	16723	530	0	0	24930	16734	0	28695	19185	20326	23755	16285	0	18919	11235	10813	31847	29421	11703	24995	20640	15940	17219	9146	16885	16130	18453	5814	25807	9439	21741	22873	19752	10834	19911	0	19526	18372	17231	15395	14429	22368	18980	9351	13306	21347	16551	17119	22139	45849	44726	57372	19701	28368	0	25529	22633	12224	10402	8108	30312	13357	26313	14884	30585	9864	0	25542	24938	Phytochemical	0.36363637	1.2727273	0.09090909
20	C27 H28 O6	449.19586	449.19635	-0.14198838	449.1958	35000	34728	20571	21461	25857	13229	14329	23675	21140	26627	32969	15816	21809	21261	21804	31135	22670	13699	25762	43287	43849	21747	18586	29248	17581	102844	15741	38962	16021	20686	20262	23670	22374	18194	38943	18284	22281	21676	24902	33784	48606	16032	600	0	0	16896	27413	0	25479	20639	26274	32657	19670	0	22967	22846	19777	28951	12731	18168	23381	24919	19611	18377	13268	20795	18811	30342	82395	89861	138164	17938	16769	19443	17467	19139	0	16061	36916	21890	27588	19858	21844	35494	28775	13934	37215	15896	16785	41780	32867	16207	29898	20455	25484	0	22476	25754	24517	23986	30643	25996	17008	23824	12999	23855	20094	0	27215	17492	Phytochemical	0.22222222	1.037037	0.0
26	C27 H28 O6	449.19586	449.19635	-0.12134019	449.1958	19854	20156	16628	17082	22025	9159	4525	10246	19708	21973	42243	8513	23165	11396	6816	13706	9295	9254	19382	32803	36905	16972	8621	15114	14342	109877	4042	38850	9464	11188	10112	7590	9481	9473	29600	9571	10558	8503	8225	27562	38355	8904	0	0	0	15778	24322	0	12002	12800	15601	18613	14091	0	16924	18848	13219	12657	6515	7785	10149	19651	16197	15809	10413	20935	22868	11237	122500	63196	96647	9858	7123	0	0	9289	0	10068	19226	16725	15712	15948	12193	32301	19660	17084	14325	9092	9627	10307	7639	11992	18556	17513	20082	0	18292	19360	14682	25324	26210	15902	8663	14910	10870	10482	22457	0	10992	14522	Phytochemical	0.22222222	1.037037	0.0
18	C27 H28 O6	449.19586	449.19638	-0.172504	449.1958	17115	12116	12630	11149	9867	7800	14409	11071	11618	13854	10673	9434	4720	5652	9021	14492	12949	8714	10020	17361	14630	10063	9370	11276	9152	40649	14960	15722	9352	10031	8577	9337	12447	0	13128	10721	10307	11095	16464	12217	16449	7465	0	0	0	8563	9669	0	14598	12428	14130	13681	8856	0	10420	5640	8117	10140	7943	10903	9975	9172	10877	5932	7029	6993	10249	17838	29280	32332	43882	9101	6697	9598	12129	12933	0	10310	17860	7791	13841	9905	12377	10459	11229	5444	20342	7198	9203	23305	17611	15914	16006	8039	6777	0	12435	11790	7445	9502	8185	13498	9159	13045	10182	11220	8316	0	16017	4134	Phytochemical	0.22222222	1.037037	0.0
22	C27 H28 O6	449.19586	449.19635	-0.13667439	449.1958	40664	45435	41552	40487	39128	20453	18866	34378	38748	62139	75715	21336	34555	34009	28814	45013	35440	33442	38326	63165	82382	42280	31877	42990	33225	213587	20784	85601	27422	28564	28567	29908	38732	17961	70890	31033	30782	26886	28992	60331	85246	30667	0	0	0	32877	51334	0	31977	33216	44517	44636	36385	0	30885	34146	25979	41805	23556	32147	37990	45398	35714	29841	18964	49710	40328	35101	197324	189954	251293	26021	19893	21824	21019	34606	0	23800	48577	46054	45344	31728	22282	55292	50263	33983	53443	34130	31766	49271	38274	30892	47710	40686	40181	0	37575	44971	38053	39701	37454	39460	23650	35783	28798	36968	38169	0	34948	30031	Phytochemical	0.22222222	1.037037	0.0
28	C27 H28 O6	449.19586	449.1963	-0.1169166	449.1958	4155	3499	3696	4286	4944	1628	1026	0	3226	4642	6654	1788	5079	2165	0	2460	2848	2884	5197	5063	5551	3399	0	3977	2850	23795	1603	6476	3401	0	2780	1745	3302	2588	6218	0	2258	2074	1844	4417	7307	0	0	0	0	3607	5274	0	2175	0	4163	3510	3406	0	4268	4426	1849	3192	1796	3101	2112	2642	5436	3345	1717	5708	4190	4054	20261	13469	27555	2390	1712	0	0	1971	0	1929	5094	3232	2851	2138	1984	3887	4246	2725	4516	2740	2464	3497	2655	1832	2419	3213	3789	0	4524	5744	2581	6586	7212	2903	1369	2769	0	2076	3120	0	1839	3539	Phytochemical	0.22222222	1.037037	0.0
10	C21 H28 O7 N4	449.20306	449.20377	-0.045308817	449.20306	7837	6854	7739	8761	2211	3632	6053	9054	1806	4506	4374	3904	1226	0	6675	5378	6517	2785	3935	4314	0	10696	7236	7091	7550	0	4100	13994	8289	7942	6678	9261	8606	6189	4033	6720	10145	6125	7521	5153	3625	2486	0	0	0	5226	5577	0	9173	6136	5779	7858	4233	0	1882	1937	1910	9029	4243	4262	0	3249	0	1385	0	3928	2307	8824	0	0	0	7490	6880	7057	4397	6146	0	5265	8037	58212	6144	2680	6908	3669	0	1810	5983	2380	2842	14475	152063	48156	15820	13596	7660	0	8983	7555	0	1322	1510	8703	5320	7703	0	5363	1250	0	5859	2876	Peptide	0.33333334	1.3333334	0.1904762
8	C21 H28 O7 N4	449.20306	449.2037	-0.1402545	449.203	13175	9858	9399	11531	1974	4333	5936	8655	1725	5789	9052	3617	2228	1778	8442	8938	6180	4252	4067	5101	5083	14152	7419	13518	8235	0	5487	39156	8868	6436	7536	10459	10432	8935	5439	7493	12962	6433	11355	5451	4536	4267	0	0	0	6971	3751	0	11486	5606	14439	15096	3422	0	3668	2046	2731	11988	5396	3757	14503	3928	2133	1919	0	2052	4707	11565	0	3576	0	9346	7784	4861	4663	6828	0	5382	8111	268376	7036	5286	5060	3740	0	0	7584	4638	5308	12599	257708	89136	17392	35496	10796	0	16651	13666	0	1951	0	7581	5458	9603	0	8123	0	0	9397	2314	Peptide	0.33333334	1.3333334	0.1904762
4	C21 H28 O7 N4	449.20306	449.2038	-0.0911264	449.20303	3565	4436	3362	3012	1261	1724	2648	4088	1455	2240	0	2517	1449	985	4145	5069	4865	2285	2900	1499	1251	5554	3489	5640	2533	0	2830	4837	4157	2562	4253	2705	3667	2758	2626	4007	4060	2935	5485	2882	2060	1785	0	0	0	3483	2575	0	2895	2744	2968	3435	1449	0	2745	690	1033	3579	2215	2337	3331	1975	1390	1535	0	2043	1541	5072	0	0	0	2452	2878	3462	0	3269	0	2197	3798	56537	3029	1771	1973	1065	1197	1350	3823	2372	2245	7694	31747	8953	8201	3609	3545	0	3056	3103	1129	1113	1072	4164	1520	4194	0	4016	803	0	3429	1600	Peptide	0.33333334	1.3333334	0.1904762
6	C21 H28 O7 N4	449.20306	449.2038	-0.09602246	449.20303	10933	8255	10440	9234	2891	3377	5521	9830	3031	6274	6106	3982	2798	1543	7313	10566	7657	2817	5150	6161	5157	11684	6228	11628	8472	0	5105	20762	9169	5536	7624	6346	10067	8175	6099	7920	7919	6279	9104	8435	7118	3898	0	0	0	6237	5351	0	7586	7098	12806	8684	2715	0	4222	1361	2444	15293	4189	4037	8528	3350	1830	0	2156	2263	4071	17568	0	1985	0	6507	7150	6490	3071	7673	0	6179	6882	183367	5596	3462	4340	3486	1890	2212	9752	4682	4222	17426	165093	48257	23039	26269	13430	0	10569	10591	1727	1639	1803	8186	4625	6368	0	9697	1458	0	8522	3732	Peptide	0.33333334	1.3333334	0.1904762
22	C24 H32 O8	449.21698	449.2175	-0.05555065	449.21698	904266	924794	824229	916571	751222	616804	441081	922821	919324	1832202	866893	453326	878573	528465	746701	755640	437063	1095152	1064542	1964504	1714682	914634	723217	889219	792102	1286905	387187	836829	918475	757990	809111	836740	964610	731013	2022343	832460	1076082	661005	464372	1067773	573931	505312	20511	3857	2140	818729	475539	3406	867955	720802	894865	878532	631791	4366	1147136	701428	454667	823389	795699	332810	841077	702273	997334	853301	356394	778989	583682	480773	996656	2559399	1508586	802615	715219	795959	406456	790577	1218	642174	761687	362831	656660	462223	586471	604339	724149	527939	689305	467593	595160	506589	921190	1094318	1045672	455897	776700	7941	824932	882650	576271	633962	562103	901019	551229	903186	483599	757247	573381	4389	568201	1123224	Lipid	0.33333334	1.3333334	0.0
26	C24 H32 O8	449.21698	449.2175	-0.12775886	449.21695	79800	82023	79365	73985	80983	61871	33178	87553	87070	152132	66116	42975	134566	52896	65689	82181	43471	113905	133906	171247	154422	74352	70034	88194	62189	108443	35170	69820	90658	73569	68063	70200	86604	64530	164271	79581	107559	47270	46212	99316	63396	52160	0	0	0	70112	41875	0	84499	65984	85047	86352	65610	0	119271	91100	39055	83864	55208	29224	86751	62311	113869	78764	27081	91247	62093	53523	117237	217692	180468	71725	67921	75019	45917	63508	0	50771	79789	34637	56311	37071	49369	56082	79289	46947	72540	46067	52638	47438	86512	77447	101670	39433	75460	0	82749	82112	50138	86299	82622	88881	42496	71415	46011	57722	49255	0	44969	106236	Lipid	0.33333334	1.3333334	0.0
24	C24 H32 O8	449.21698	449.21747	-0.077294834	449.21695	356476	369024	346676	350583	286969	269290	167557	380314	345727	700216	295800	190953	492695	207943	280777	319437	160427	452840	523148	753418	646931	360518	291270	344932	251088	458137	141926	295131	431549	395283	353560	378567	434787	334567	843340	372011	506731	219017	174624	430238	224636	192798	9206	2193	0	341606	180468	2237	473684	277032	356402	343052	239941	0	478511	288232	165239	352842	317194	116488	351900	269520	445680	348794	147562	348161	224441	168468	404870	942605	579112	375157	324701	307627	221974	334682	0	275086	302305	136959	246130	185020	218956	244975	303501	188644	267920	165639	265594	184091	358472	409118	446943	191017	311107	3668	346107	361492	196598	246911	238541	391627	211066	501059	190883	280250	209297	0	206087	494527	Lipid	0.33333334	1.3333334	0.0
20	C24 H32 O8	449.21698	449.2175	-0.06591291	449.21698	1083364	1114448	1049479	986592	879864	670342	635115	1064325	981601	1890235	960603	622025	1039992	569505	948670	1041306	650989	1041435	1307164	2064773	1883749	976665	838237	1154466	794044	1639169	605452	984284	1031768	924397	866601	955876	1151193	840552	2005278	990836	1209240	768697	709923	1197807	817529	658126	19925	4188	1375	903088	662007	4304	1053417	873529	1055203	1043439	755862	4290	1194565	813279	556627	1048774	892607	535782	980232	752715	1126198	917473	471925	899519	680168	738301	1304414	2509674	1902136	894000	912274	1019834	774347	901597	1356	753616	971383	499680	829751	493667	799048	795660	892486	601876	951859	584634	734454	749660	1066004	1105118	1228058	578737	807012	7577	1025215	1075803	717165	743227	772306	1129415	651531	1105375	557880	920868	747416	5291	710100	1213225	Lipid	0.33333334	1.3333334	0.0
6	C18 H32 O9 N4	449.2242	449.22495	0.17872368	449.22427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	585	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23770	0	0	0	0	0	0	0	0	0	0	28682	11769	0	4501	0	0	0	0	0	0	0	868	0	0	0	0	0	0	0	0	Peptide	0.5	1.7777778	0.22222222
4	C18 H32 O9 N4	449.2242	449.2248	-0.02595685	449.22418	733	0	1264	691	0	2011	444	649	0	0	0	0	0	0	1120	0	0	373	0	0	0	0	443	705	763	0	0	6055	0	0	376	0	539	0	674	0	0	499	0	0	0	0	0	0	0	0	0	0	0	0	1090	887	0	0	333	0	0	777	0	0	0	0	0	0	0	335	0	0	0	0	0	0	440	0	0	0	0	0	0	91981	0	0	0	0	0	394	0	0	0	801	61331	18007	1168	8749	1282	0	0	1296	0	0	0	0	0	0	0	457	0	0	0	0	Peptide	0.5	1.7777778	0.22222222
2	C18 H32 O9 N4	449.2242	449.2249	-0.07189966	449.22418	1295	2314	3209	2474	927	19980	0	1292	549	0	2196	953	2887	0	761	0	1597	2655	1619	0	0	1351	816	959	0	0	0	24794	2372	1126	1549	1206	2962	1804	690	849	3146	568	1288	0	0	0	0	0	0	0	0	0	893	1042	2789	3496	869	0	1006	535	258	1993	0	0	681	0	439	651	0	3067	684	1189	0	0	0	2412	695	0	0	652	0	432	1070	178695	868	0	0	0	829	676	580	2623	1169	0	47408	23180	1211	16291	0	0	2066	2996	545	467	625	802	569	312	0	1324	581	0	0	2311	Peptide	0.5	1.7777778	0.22222222
20	C23 H32 O7 N2	449.22824	449.22873	-0.19459869	449.22815	16153	17003	18284	11736	6984	11962	10777	20303	8127	11985	7981	8940	5571	3495	15267	24388	12539	6820	12274	22625	12054	18015	16499	23086	18533	5650	11314	6022	20600	18875	18893	21696	28230	18088	16511	18319	22705	11957	15285	13104	8024	9599	0	0	0	14295	6839	0	17287	13146	14933	15682	9379	0	6552	4120	4661	18122	12876	9379	20425	7463	7159	7920	3478	6407	9194	16622	4492	10244	9926	17575	17697	16578	15875	19067	0	11733	11321	10054	9663	11423	15730	10315	4073	7375	14680	11182	12225	18840	42995	39186	39036	7774	11281	524	14309	9986	4972	4646	8077	20939	13119	28235	10221	22857	6467	0	17019	12047	Lipid	0.3043478	1.3913044	0.08695652
12	C23 H32 O7 N2	449.22824	449.22885	-0.11722881	449.22818	14169	19853	17576	17552	8995	7332	11473	25242	6487	23611	11754	9334	7949	5980	16131	20571	16091	11426	19728	31148	28574	26969	17544	24218	18066	6082	9945	14945	22905	14734	23164	16767	28703	19429	35698	19049	24239	15057	24476	23684	18385	9727	0	0	0	21554	10716	0	23404	14956	16251	14599	10313	0	12587	3986	4718	23295	4882	0	19531	13068	3809	9010	5470	10356	10349	25596	0	18828	14637	18118	20290	15333	15081	15050	0	16003	14052	0	14286	10215	7540	12816	6484	6142	14802	7051	12839	34682	31036	31035	34638	14319	19012	0	19567	15968	3486	5022	4934	16976	9716	19671	0	27094	2539	0	18012	8727	Lipid	0.3043478	1.3913044	0.08695652
8	C23 H32 O7 N2	449.22824	449.2289	-0.11145735	449.22818	19122	18855	14602	19097	5931	7158	10401	19657	6127	22023	8358	9245	6978	3642	13185	18812	11465	7676	12591	29736	24978	21822	13064	28891	15238	7040	10257	11318	18361	12781	16466	20668	21836	16299	28715	14136	22642	10923	13775	23334	14291	8643	0	0	0	15827	12188	0	23211	15674	15538	18815	9088	0	9476	3933	4304	19957	2141	4010	17630	10411	9189	9992	4654	7722	9979	16693	6118	16377	11876	16646	15457	15077	11714	13296	0	11495	14176	13725	9365	4190	7110	15016	4397	6207	12374	8633	8612	24973	34695	26256	35308	12643	26976	0	17618	14477	3383	1946	6009	18969	10523	25104	0	17981	2957	0	10435	7968	Lipid	0.3043478	1.3913044	0.08695652
6	C23 H32 O7 N2	449.22824	449.22897	-0.105826706	449.22818	10671	11792	11463	11477	3133	5566	8706	14459	4405	12204	6124	5775	5553	2180	8973	15395	8489	5452	7076	18681	13989	18582	7795	16977	12861	5151	5656	6566	12635	11927	11175	14750	14280	12550	12229	11366	10883	6929	9498	10068	6219	4328	0	0	0	9379	9262	0	14082	11569	9920	10738	7066	0	6140	3426	2867	17033	2071	2448	15294	6973	3499	3849	3726	5645	6752	11963	3878	11920	6840	10621	10579	10700	6698	8699	0	8419	7121	4848	4621	3748	4778	7693	2724	2622	7107	4838	4611	18349	14167	15172	26054	8592	14419	0	11483	10676	2182	2404	2244	12038	7247	16353	0	11043	1566	0	7087	4120	Lipid	0.3043478	1.3913044	0.08695652
10	C23 H32 O7 N2	449.22824	449.22882	-0.11065007	449.22818	22241	19949	18461	18835	7190	11610	14470	21758	8177	33140	12571	9693	9331	4044	15958	22744	11639	7474	14877	35239	29396	34520	14491	28466	20014	12110	14385	13929	23562	15745	16867	28070	33416	19227	32550	22443	23598	13053	21368	29890	14733	9472	0	0	0	20485	11452	0	27052	16860	24607	18459	9945	0	11715	4164	5202	27066	4240	5491	21274	12609	10168	7004	4085	8309	7332	16977	0	25018	11267	19629	17510	17579	15159	19913	0	13395	14873	9129	12966	4971	6745	16967	3753	5382	15547	9298	9903	26293	44479	26570	36193	11136	26683	0	21872	19962	2145	3496	4614	25973	10942	31893	0	25728	5383	0	17204	10769	Lipid	0.3043478	1.3913044	0.08695652
28	C28 H32 O5	449.23224	449.23273	-0.21083826	449.23215	8337	8393	7559	8332	7408	3500	5324	9290	7310	6139	8875	7157	10689	5330	6062	8014	7541	3615	11109	8274	8109	7410	7218	8103	5635	33184	4414	13286	7153	8829	6018	6630	10896	5215	8631	10438	7219	5288	7800	8242	10453	6337	0	0	0	8957	28698	0	8313	8724	9053	7277	8022	0	7343	7677	3972	9130	5490	3683	9284	4680	8301	5401	3930	9767	10086	7746	29401	16229	23530	4115	4310	6105	3695	7052	0	6016	9758	8572	7470	7230	6226	10291	12854	6192	10872	3607	4509	9192	6968	7682	10740	7983	5025	0	8290	7708	5994	17332	18821	12135	5377	9302	4704	6623	9960	0	5336	4884	Phytochemical	0.17857143	1.1428572	0.0
8	C22 H32 O6 N4	449.23947	449.23993	-0.23888539	449.23935	2382	5459	3318	4291	0	2724	927	0	0	0	2035	907	0	0	1476	1936	0	1082	0	0	0	1859	0	2543	1588	0	1082	26732	1653	1162	1734	3972	1815	0	1182	2137	1304	1025	0	0	0	1060	0	0	0	0	0	0	1276	804	2732	5908	896	0	0	0	0	3321	0	0	0	0	0	0	0	855	0	1840	0	0	0	1654	1225	1626	0	1046	0	1523	1106	173976	0	613	0	1087	0	0	0	0	1277	2890	207154	70487	3829	16694	4588	0	4017	4691	0	0	0	2299	973	2970	0	0	0	0	1521	0	Peptide	0.27272728	1.4545455	0.18181819
12	C22 H32 O6 N4	449.23947	449.23978	-0.5269237	449.23923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1743	0	0	0	0	0	0	0	0	1504	0	0	0	2205	1177	1938	0	0	0	0	1714	0	1303	0	0	0	0	427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1612	0	0	0	1275	0	26148	1173	0	944	0	0	0	0	0	0	0	33304	7834	2758	0	0	0	0	0	0	0	0	0	0	0	0	1636	0	0	1176	0	Peptide	0.27272728	1.4545455	0.18181819
4	C22 H32 O6 N4	449.23947	449.24023	-0.031270348	449.23944	1826	899	1085	1297	353	1387	0	874	0	0	0	0	0	0	822	1207	945	414	289	0	0	0	1003	1159	706	0	0	8778	904	0	0	1188	0	0	0	952	1562	671	1132	0	0	0	0	0	0	0	0	0	0	733	1973	874	0	0	256	0	0	901	0	0	1489	0	0	231	0	0	334	0	0	0	0	666	0	0	1123	573	0	477	616	84773	438	0	0	0	0	231	652	672	0	1657	60963	13656	2413	4227	1602	0	775	1415	0	419	0	0	0	0	0	1194	385	0	821	434	Peptide	0.27272728	1.4545455	0.18181819
6	C22 H32 O6 N4	449.23947	449.24005	-0.2318004	449.23935	3195	2934	1986	5006	0	3549	692	1900	0	0	1451	0	0	0	1837	2334	1541	616	777	0	0	1925	1784	2345	1772	0	0	26503	1637	1272	2180	0	2436	1596	875	0	1327	869	0	2057	0	1268	0	0	0	0	0	0	0	1138	3481	3334	794	0	0	0	0	2605	0	0	2033	0	0	0	0	0	688	1947	0	0	0	1491	2387	1283	0	1290	0	1704	1131	112141	1029	0	360	0	0	0	1268	1001	928	1984	155475	43969	3939	12728	2299	0	3679	3183	414	0	0	1499	0	2271	0	1289	0	0	1352	0	Peptide	0.27272728	1.4545455	0.18181819
10	C22 H32 O6 N4	449.23947	449.24	-0.11496984	449.2394	0	1501	2167	0	0	0	0	0	0	0	2274	0	0	0	1520	0	0	0	0	0	0	1851	1729	1825	1893	0	0	7251	1270	1377	0	0	0	2330	0	0	1739	0	0	0	0	798	0	0	0	0	0	0	0	0	0	1957	0	0	0	0	0	3205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1159	1117	0	0	0	0	77416	1554	0	0	0	0	0	1272	0	0	2763	114697	21623	4400	8253	2133	0	2778	0	0	0	0	0	807	0	0	1112	0	0	0	1323	Peptide	0.27272728	1.4545455	0.18181819
8	C19 H36 O6 N4 S1	449.24283	449.24307	-0.24673957	449.24274	0	0	0	0	0	20098	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12360	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	796	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	66403	0	0	0	0	0	0	0	0	0	0	55276	14535	0	3200	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.31578946	1.8947369	0.21052632
14	C25 H36 O7	449.2534	449.25394	-0.15339898	449.2533	13451	10876	10424	10149	4013	2942	16430	11594	4592	5330	2880	11729	1927	4121	8602	13317	28370	1837	5351	5234	3281	4448	6910	10222	12045	4237	18443	0	9650	13569	10129	12584	12122	5116	2395	13523	7254	12362	25518	1955	6362	4947	0	0	0	5073	6750	0	15071	11816	9058	11466	3614	0	7477	6476	6330	10833	7288	8833	0	1867	6920	5972	6710	3304	7027	28630	0	2665	5425	6406	9221	20066	20775	11800	0	7308	19598	0	12897	6587	11571	2429	10485	6720	15838	4795	4929	20742	5753	6873	12360	3385	2262	0	13844	8699	4625	11396	14109	11954	7066	6368	0	9524	5753	0	12127	3230	Lipid	0.28	1.44	0.0
26	C25 H36 O7	449.2534	449.2539	-0.100188136	449.25333	178548	169082	170136	162700	168907	115403	128463	190313	188731	253756	151147	93131	223590	126537	164569	175662	105794	237327	318103	369178	304898	195648	140994	169747	196507	230726	102041	185024	217436	196572	164396	179158	260661	143596	356484	197466	309565	137838	120186	219623	116551	111016	0	0	0	159249	98371	0	187412	141591	181784	174701	140431	0	271518	190908	98012	198533	177633	82706	193174	126451	205941	166609	75743	191408	163059	126580	212480	397029	244916	143569	150046	176362	100760	150135	0	133653	177984	119638	119671	105714	163965	132600	179338	119392	179450	99229	134751	195540	220971	260361	297628	112386	177282	0	195030	190202	104658	171729	192755	239429	100615	221139	130374	157323	132046	0	127391	191285	Lipid	0.28	1.44	0.0
20	C25 H36 O7	449.2534	449.25388	-0.14038582	449.25333	243463	256793	259644	245880	207120	148591	243708	248382	235921	210830	181415	188402	208637	166670	231976	320130	366280	216854	308459	261134	250591	199813	194609	244297	204121	266897	250968	182611	256177	250864	201451	263095	306336	198322	244953	281208	279774	195468	370436	168403	198004	177999	7296	1203	333	145039	162012	826	282209	225765	256942	249330	186023	1427	277685	242737	152044	283837	163761	165092	263663	113523	238954	214167	149571	223785	184070	379460	211053	299188	331819	176342	211980	259260	375162	245174	408	165144	308749	152672	198223	115754	247352	200777	292751	191888	323089	151396	187699	353209	268185	254096	309821	135686	171096	1356	260293	249216	170661	281960	305917	357564	163833	250864	115428	232126	228338	706	226746	249888	Lipid	0.28	1.44	0.0
22	C25 H36 O7	449.2534	449.25388	-0.14109655	449.25333	450565	469863	433439	455665	426160	294676	395542	445052	428324	517931	388480	289631	405719	285115	386783	500584	447947	513819	616082	664559	623714	374370	378858	433035	382871	593713	412614	371187	503343	435295	407634	510398	555002	396564	557919	508210	551050	370867	489400	387767	349145	281422	12066	0	750	334303	257417	2643	473543	390780	450644	433199	382362	2045	590929	447786	297430	510444	346517	247098	486899	260421	495513	427651	241351	451161	350274	480967	466000	808797	702325	317313	359931	405633	415299	449378	530	312544	510739	249189	370722	231673	418916	331940	496705	348728	510954	305960	376870	530026	501389	536488	515351	256438	382083	0	420120	460319	309398	497073	462544	611907	278690	463308	245208	402227	401720	0	353182	502996	Lipid	0.28	1.44	0.0
20	C29 H36 O4	449.26865	449.26907	-0.25282294	449.26852	8119	6084	8171	7557	4272	2870	15867	4182	6108	2249	1718	9664	0	2684	9693	11893	30210	0	3378	2165	2855	4894	4638	5312	10310	3190	12725	5371	9497	10319	7468	11303	11321	4601	0	13265	8496	8321	37656	2953	4743	4844	0	0	0	1880	0	0	13198	9747	8862	6117	5532	0	6565	4766	6151	13427	10512	14831	9387	3050	0	3230	4825	2509	3116	47361	2897	4749	7598	4936	6314	10315	20548	11838	0	5899	17328	7463	10835	3273	8257	0	10430	7121	16576	5898	7126	32856	14999	10700	10398	3700	2993	0	9006	10127	6946	14049	12761	13612	7960	10504	5057	7192	10066	0	14560	3979	Phytochemical	0.13793103	1.2413793	0.0
12	C23 H36 O5 N4	449.27585	449.27646	-0.2394207	449.27573	0	0	1819	0	0	3564	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67966	0	0	0	0	0	0	0	0	0	0	0	0	0	1281	0	0	0	0	0	0	0	0	3816	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	443567	0	0	0	0	0	0	0	0	0	0	261647	98815	0	31150	1569	0	0	2939	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2173913	1.5652174	0.17391305
10	C23 H36 O5 N4	449.27585	449.27646	-0.18843208	449.27576	0	0	0	0	0	1633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23898	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	104406	0	0	0	0	0	0	0	0	0	0	114324	24150	0	4461	0	0	1230	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2173913	1.5652174	0.17391305
14	C23 H36 O5 N4	449.27585	449.2764	-0.08482631	449.27582	1624	5255	2215	0	0	2449	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48671	0	0	0	0	0	0	0	0	0	0	0	0	0	1241	0	0	0	0	0	0	0	0	2244	2190	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	307057	0	0	0	0	0	0	0	0	0	0	526233	69747	0	15096	1685	0	0	3739	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2173913	1.5652174	0.17391305
16	C23 H36 O5 N4	449.27585	449.27652	-0.14481102	449.2758	0	0	0	0	0	0	0	0	0	0	1649	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4529	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45843	0	0	0	0	0	0	0	0	0	0	264379	31048	0	4801	0	0	1835	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2173913	1.5652174	0.17391305
16	C28 H36 O3 N2	449.27988	449.28024	-0.082548566	449.27985	9495	7319	6991	9776	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	691953	0	0	0	1363644	0	0	0	0	0	331	0	0	0	0	0	0	0	8686	6540	0	257	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1069	0	0	0	0	0	0	0	0	0	0	0	0	0	7008	7704	0	0	0	1432678	0	0	0	0	0	0	0	0	Phytochemical	0.10714286	1.2857143	0.071428575
20	C26 H40 O6	449.28976	449.29022	-0.18593962	449.28967	11554	11744	10722	10698	8723	5014	29977	16053	6325	2879	4381	13252	7936	9165	13482	20312	32357	4165	9277	5029	2907	5099	7692	5310	10121	6938	27267	6750	15178	13849	16026	15088	14011	6484	3447	23874	6744	10689	40339	1410	2280	9051	571	0	0	1792	2601	0	18487	20199	11869	9727	5809	0	13212	13454	6324	17685	4356	8730	14171	3078	10192	9612	11158	6128	10824	34859	4708	8643	5847	5137	10709	35746	44152	28012	0	13597	10888	6101	7544	2425	16564	13569	18234	13665	22112	5171	12369	30604	8340	9270	12905	3509	2453	0	10533	13691	9418	21031	20040	17465	10123	7561	2420	11548	11459	0	16588	2708	Lipid	0.23076923	1.5384616	0.0
24	C30 H40 O3	449.30502	449.30542	-0.21994714	449.30493	14275	12584	13889	12870	12557	2618	12381	6965	12025	0	3814	7706	3249	8705	12504	17394	36133	5068	7970	0	0	104328	6246	6349	11774	1754	13297	2896	6914	14177	6219	9658	12478	1991	0	10454	6694	10733	35208	7348	10114	7608	0	0	0	5991	12064	0	6321	11557	13280	14709	12307	0	10650	17226	9641	13529	7434	16804	6351	2861	2291	5550	7470	3114	6774	48049	0	1465	2406	2564	2011	10752	18551	9874	0	7123	25677	188281	11354	5993	11244	6636	24320	13639	32337	6308	7807	71621	85027	90728	19036	164453	110243	0	14779	15645	10889	26675	27294	15825	11363	12417	4604	8716	20082	0	18852	3284	Lipid	0.1	1.3333334	0.0
28	C30 H40 O3	449.30502	449.30545	-0.19001256	449.30493	9699	9052	6852	8242	12485	2913	16060	9968	9202	0	3378	5962	7366	6265	8506	8723	10836	3415	12558	0	0	7045	6852	5724	14767	5459	12163	4542	8529	14524	7160	8736	11815	5377	1283	15244	7981	8577	11774	1887	2145	7756	0	0	0	3057	0	0	8797	11670	7339	7849	12885	0	11495	15527	5909	9763	4118	5058	8421	1304	3595	6988	6675	7665	10422	16185	3006	886	1213	2440	3250	12587	6705	8880	0	7639	18324	36163	8552	4555	7409	3692	29517	11334	30664	5716	6140	24805	7410	7357	14163	25157	3930	0	9466	9235	10501	33309	37837	21902	7082	8175	5054	7343	23799	0	13166	3015	Lipid	0.1	1.3333334	0.0
24	C27 H44 O5	449.32614	449.32657	-0.22544944	449.32605	6235	8112	6993	10274	2480	4512	129878	10794	1881	0	4330	6991	0	17135	7704	14635	31071	1288	1662	0	0	1744	2821	3430	5932	5775	136268	9507	9424	18374	8553	15339	11282	6936	0	16984	11295	7545	35551	0	4768	2658	0	0	0	1538	1195	0	12679	10292	7275	7851	4160	0	1162	3141	5938	9424	1633	5817	15336	907	4525	1114	17258	3298	15637	35752	1721	0	2500	3272	6961	22587	18609	13177	0	6199	7310	5197	5011	4432	16257	20041	1793	5856	21559	2722	6204	39908	6837	4242	7517	1091	0	0	7975	11265	4692	5556	7805	16445	5366	5456	3733	7088	2369	0	8245	1779	Lipid	0.18518518	1.6296296	0.0
28	C27 H44 O5	449.32614	449.32666	-0.078068346	449.3261	8596	9562	8285	8483	5554	4992	160994	9801	3375	3744	14609	6549	2548	22461	6145	9094	15612	3253	8754	4248	2775	3282	4133	4833	11314	14183	134206	19703	14761	10462	6573	76843	10512	6573	3838	13637	9577	7801	13202	2783	6627	7635	2259	1271	0	6635	4970	1551	6342	8334	9442	8536	5726	0	8184	9457	8743	10982	23443	9693	15918	18061	10645	3275	18446	8142	16218	14419	9263	3851	4842	4627	6678	28457	8775	7337	3664	6002	9507	18842	5365	10652	14287	16224	12141	7893	23139	4782	6156	11227	12832	13370	8007	7442	5036	2107	8224	10510	7907	8778	16212	13103	7553	16119	24049	7168	9191	1529	7994	4286	Lipid	0.18518518	1.6296296	0.0
12	C26 H44 O4 N2	449.33737	449.3377	-0.08958222	449.33734	0	0	0	0	0	0	0	1347	0	0	0	0	0	0	0	1868	0	0	0	0	0	0	0	0	3480	0	1420	0	0	0	22402	0	0	0	0	1409	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	788	0	0	0	0	0	0	0	0	0	0	0	0	0	2888	0	0	0	0	0	0	0	57833	0	0	13130	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2840	0	Lipid	0.15384616	1.6923077	0.07692308
28	C28 H48 O4	449.36255	449.36285	-0.14327234	449.36246	1211	1247	1867	0	956	916	22140	0	0	0	7619	0	0	4667	2135	0	2527	0	0	0	0	0	0	0	0	5346	21075	4441	2535	2537	0	957	0	1043	1442	0	894	1409	2509	855	947	0	0	0	0	0	0	0	940	0	0	1836	1268	0	0	0	1016	1757	1614	0	4134	2356	1615	0	4817	0	1790	974	4912	953	1449	1372	1943	3825	0	919	0	1193	0	5112	0	2771	1970	2012	2242	0	2008	0	1758	811	1086	1034	0	2025	0	0	1405	0	1138	0	0	0	1787	3475	3095	1403	0	0	1793	0	Lipid	0.14285715	1.7142857	0.0
26	C28 H48 O4	449.36255	449.36252	-0.026831923	449.36252	0	0	0	0	0	0	28704	0	0	0	2240	0	0	2208	0	0	0	0	0	0	0	0	0	0	0	0	22848	2442	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6978	0	0	3435	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3407	0	0	0	0	0	0	1466	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.14285715	1.7142857	0.0
12	C19 H15 O12 N1	450.0667	450.06747	0.085433915	450.06674	4953	2942	3151	1682	6626	1187	0	0	7649	2417	2723	0	10699	830	0	0	0	5227	8351	2505	4232	12252	0	0	0	0	0	0	0	0	0	0	0	0	3435	0	0	1054	0	0	5617	1181	0	0	0	0	7274	0	0	0	1962	1760	3522	0	8157	11011	1916	0	0	0	0	3571	25334	8018	2897	8865	1315	0	0	0	1735	0	0	0	0	0	0	0	1708	0	897	1952	0	1244	6681	1328	0	2331	1595	0	0	0	0	11157	3823	0	2068	3085	4999	9960	8076	0	0	0	0	0	3920	0	0	14800	Phytochemical	0.6315789	0.7894737	0.05263158
18	C19 H15 O12 N1	450.0667	450.06732	0.012057566	450.0667	8071	7998	10500	10428	29688	6056	0	0	25694	7086	7462	6608	66464	8120	3860	5160	0	37922	26044	4556	8202	39830	7504	2638	0	0	0	0	0	0	2560	4552	4106	0	0	0	0	2722	0	0	18092	10772	1380	0	0	7930	32164	820	4390	0	10224	9940	18068	0	34866	44331	12132	2740	3466	4576	4130	13738	66004	33836	8478	31864	7884	4460	3218	0	0	0	0	0	3366	0	0	0	9560	22308	4944	12014	2888	0	41768	5434	7460	12134	11148	3848	0	0	6578	43644	26030	0	11772	8896	17000	34420	37732	0	0	0	15056	5400	23850	0	0	50750	Phytochemical	0.6315789	0.7894737	0.05263158
16	C19 H15 O12 N1	450.0667	450.06738	0.04504846	450.0667	4644	5084	5757	2769	14019	3980	0	0	19526	3452	5322	1467	26532	3167	2544	0	2419	10304	10531	0	13359	24007	3319	0	0	0	0	0	0	0	0	0	0	0	5444	0	3279	0	1604	4308	13037	5025	0	0	0	3682	15034	486	0	0	4154	3036	4902	0	14131	14267	5133	0	2104	3047	0	6990	33662	19210	2615	15932	3345	0	0	0	0	1251	0	0	1680	0	0	0	4432	13466	2197	4661	0	0	15096	4671	2390	2273	3739	0	0	0	0	28192	12817	0	4241	4196	5636	20199	18949	0	1355	0	9355	0	10166	0	0	31704	Phytochemical	0.6315789	0.7894737	0.05263158
28	C19 H15 O12 N1	450.0667	450.06723	-0.10856542	450.06665	8116	8218	6552	8794	15572	12986	0	0	16954	6406	3156	0	35172	10466	0	0	0	18964	21522	5072	10906	15644	5280	5260	0	0	1764	0	0	0	0	0	1672	0	6292	0	2608	3352	0	4266	7818	0	0	0	0	13018	20874	0	0	0	8960	7400	10698	0	26798	16258	4008	3180	0	2072	0	8500	39526	19930	4488	20260	5966	2704	0	0	2602	0	0	0	0	0	0	2462	9568	7068	5554	7342	0	0	24072	6836	4816	4454	4736	3370	2034	0	6386	14502	20288	0	12940	6400	10100	13028	19908	3988	0	0	13942	3286	10858	0	0	39164	Phytochemical	0.6315789	0.7894737	0.05263158
14	C19 H15 O12 N1	450.0667	450.06747	0.13855809	450.06677	5889	4929	4016	5084	9847	3072	0	0	16310	3661	5959	0	23797	3113	0	0	0	6289	8478	0	13811	25753	2580	0	0	0	0	0	0	0	1355	0	0	0	4822	0	0	1441	1939	4554	8253	1968	0	0	0	4042	24850	0	0	0	0	3048	4882	0	11122	12550	4277	0	0	0	0	3138	29704	16205	2122	15770	3991	0	0	0	1511	0	0	0	0	0	0	0	3127	19115	1490	5655	0	886	15649	0	1435	2123	0	0	0	2122	2071	39078	14848	0	4830	3196	11708	14177	11278	0	0	0	0	2479	9396	0	0	22805	Phytochemical	0.6315789	0.7894737	0.05263158
20	C19 H15 O12 N1	450.0667	450.0674	0.16211414	450.06677	2792	2404	6225	3457	11296	4498	1323	0	12698	2531	1786	1112	23308	2445	2242	1889	2348	8754	9473	0	1978	9714	4479	0	0	0	0	0	0	0	0	0	2350	0	4345	0	2419	0	0	3493	3910	4130	0	0	0	1770	15426	1038	0	0	3804	5039	5536	0	16267	12292	2593	0	2310	1197	2070	3632	15763	12741	2693	9046	3789	1273	0	0	2510	0	0	0	0	0	0	0	4587	8973	3513	5810	0	0	13615	7385	2784	4054	5016	2052	0	2159	3034	14842	8568	0	2563	4951	7927	13960	14820	2006	1291	0	6862	0	9591	0	0	19232	Phytochemical	0.6315789	0.7894737	0.05263158
16	C18 H15 O11 N3	450.07794	450.07883	-0.040492933	450.0779	3483	2339	0	2691	0	3164	0	0	1779	5131	4252	1064	19946	2087	0	0	0	12043	9334	0	3331	15437	2397	0	0	0	1265	0	0	0	0	0	0	0	4577	0	0	0	0	0	3146	0	0	0	0	2719	0	0	0	0	6191	2443	5901	0	9627	12558	2526	0	0	0	0	4346	26802	9747	3747	11327	3628	1277	0	0	0	1463	0	0	0	0	0	0	3307	0	2632	5349	0	0	11634	0	0	2916	2991	0	0	0	0	13091	5464	0	5398	0	10406	14562	13177	0	0	0	0	0	0	0	1300	19557	Unclassified	0.6111111	0.8333333	0.16666667
16	C16 H19 O14 N1	450.08783	450.0884	-0.14633283	450.08777	3167	5353	3536	3262	9220	2489	0	0	6605	18227	10474	1166	19843	0	1584	0	1448	8954	4262	3873	12036	21641	2499	1914	1618	6027	0	6462	0	0	2001	0	0	0	59543	0	0	1203	0	27962	17036	2983	0	0	0	10170	12781	0	0	1064	4169	4044	4895	0	8056	6857	3654	0	1948	0	0	11524	10399	9823	1354	11094	1659	0	6242	7969	13991	1282	0	0	1903	0	0	0	1437	10727	1187	7547	1421	8143	7670	2180	0	1292	4490	0	5091	6738	0	19846	27450	0	4459	5055	7700	4372	5384	0	0	3803	0	0	3436	0	0	16401	Phytochemical	0.875	1.1875	0.0625
14	C16 H19 O14 N1	450.08783	450.0886	0.115081064	450.0879	3418	2676	0	1654	8889	1782	0	0	6571	16736	4806	0	12170	1974	0	0	0	10675	6772	2984	11893	12703	0	0	0	4317	0	0	0	0	0	0	0	0	12844	0	1497	0	0	8244	13701	1596	0	0	0	3726	5683	0	0	0	3202	0	5103	0	5332	14846	1298	2131	0	0	0	10854	14081	5762	3470	8287	1765	1368	0	10044	15124	0	0	0	0	0	0	0	1675	0	0	5168	0	5988	4136	0	1370	1938	2089	0	0	5285	2524	20261	16538	0	2226	0	5321	9703	9108	0	0	2025	0	0	5997	0	0	9402	Phytochemical	0.875	1.1875	0.0625
26	C20 H19 O11 N1	450.1031	450.10364	-0.101902574	450.10303	6018	5121	5738	4836	7557	6322	0	0	9185	12670	2796	0	18135	3631	0	0	0	9903	8072	8469	9417	16637	0	0	0	0	0	0	0	0	0	0	1797	0	12657	0	3445	0	0	6928	8739	0	0	0	0	14385	21743	0	0	0	5076	6475	5986	0	12866	7938	0	2525	0	0	0	5783	17596	12474	0	7868	0	0	0	5548	5423	0	0	0	0	0	0	0	3090	6648	2359	6996	0	0	12045	0	3399	0	0	1972	0	2660	6029	13674	15592	0	7161	6665	4141	4701	6144	0	0	0	12472	0	6657	0	0	17668	Phytochemical	0.55	0.95	0.05
22	C20 H19 O11 N1	450.1031	450.1036	-0.027430993	450.1031	22792	20476	22420	26446	23586	24998	4676	0	39374	50508	10998	5696	62714	15558	11614	5952	0	57412	37968	25354	42164	65100	13382	11222	9456	3308	4022	12888	5402	2916	3810	0	10350	3060	48344	3832	8498	6438	3872	27732	27252	12322	0	0	828	52190	93318	0	2910	4950	17080	21926	19582	806	58942	47484	13060	7836	7290	6184	8201	29690	69552	39852	11648	41232	15209	0	19784	15348	18874	3692	3826	2314	4121	5967	1624	5718	19810	44363	19330	59850	5972	14718	42208	20858	10988	14194	15060	7464	11270	16686	9156	62358	86356	0	26830	21370	24834	36504	36588	7788	6084	12472	71082	9318	30810	0	5898	90524	Phytochemical	0.55	0.95	0.05
24	C20 H19 O11 N1	450.1031	450.10358	-0.050675035	450.10306	4275	5657	5745	7044	8439	7716	0	0	10770	14630	3599	2693	26964	5008	0	1900	0	16275	7882	9350	13470	16571	4218	2833	1542	1529	0	0	0	0	1288	1179	1637	0	13025	0	2723	0	0	7309	7496	2222	0	0	0	13813	31985	0	1134	0	5405	5614	9867	0	17326	11265	4545	1871	1336	1264	2555	7639	21695	12379	2991	11814	2244	0	4643	4652	4341	1952	0	0	0	0	0	1653	5859	13891	8224	12966	1494	5086	13448	7704	4078	3376	4579	0	1651	2807	4267	17548	22330	0	11825	9256	4428	6938	14618	0	1555	3113	15051	1970	9693	0	1177	25383	Phytochemical	0.55	0.95	0.05
8	C20 H19 O11 N1	450.1031	450.10382	-0.027029341	450.1031	10745	11536	6016	10991	15262	3399	2589	2904	20458	27133	22470	4299	29037	3829	4214	5898	6768	15329	17155	16767	31863	22554	7253	5367	843	3054	2919	3882	3156	2322	4267	2754	5874	2182	34447	2660	3939	3633	4452	15574	34820	7942	0	0	0	13494	34211	0	5456	4214	12774	13363	7728	0	21150	14843	7445	3273	2228	6830	5250	13612	34773	23953	6050	18515	9091	7814	12048	6654	15281	2866	3139	1578	4283	3853	0	3194	6928	9079	5918	10537	1678	3633	17624	5469	7546	7109	6866	7291	0	0	8137	26352	22655	0	10744	8874	15342	21688	17087	6271	3456	4847	11017	4542	13492	0	3119	32786	Phytochemical	0.55	0.95	0.05
28	C20 H19 O11 N1	450.1031	450.10355	-0.063650206	450.10306	7163	6183	6477	5697	8465	4770	0	0	9301	17176	3851	1950	18405	3127	2726	0	0	16925	9521	11087	11013	11502	4691	2760	0	0	0	2384	0	0	0	0	2087	0	16901	0	2923	2595	0	7512	7576	0	1294	0	0	12591	21162	0	0	0	7400	5126	4007	0	10639	7588	3231	1890	1831	2049	0	6477	13351	8298	3507	9215	4029	0	4906	6201	6319	1267	1145	0	0	1594	0	1769	5395	5908	3648	9131	1365	2928	8725	3795	3460	1157	2556	0	2070	3941	3378	12728	17419	0	5722	5400	3086	5843	6690	2192	1212	0	9274	2115	6922	0	1963	15485	Phytochemical	0.55	0.95	0.05
6	C20 H19 O11 N1	450.1031	450.10394	0.06657638	450.10312	4996	7898	3658	7800	7178	3180	2416	1628	11330	17306	16484	3796	23487	2798	2990	1860	4364	9818	12482	6758	13950	12428	5652	1622	0	1174	1630	0	1726	0	1202	0	3248	0	19518	0	3016	1316	5170	5504	15574	3640	0	0	0	4692	17520	0	3000	1498	5358	4976	4354	0	15730	12016	5184	2424	1652	2996	2318	5326	27656	11742	3818	10984	3604	3256	4938	3010	8188	1810	2136	1158	0	0	0	1672	3054	5394	2374	3856	389	0	16198	4674	2876	4662	5506	6228	0	1880	3892	11884	8476	0	8084	4110	8754	16288	13776	4654	2974	4214	0	1916	6714	0	1356	20852	Phytochemical	0.55	0.95	0.05
20	C20 H19 O11 N1	450.1031	450.1036	-0.0500564	450.10306	24785	25776	17943	23248	31988	25580	6149	7634	39499	53827	17909	6794	80404	16565	13421	10350	7122	43673	34314	37718	47619	64375	14726	11489	5608	6842	5122	9002	5729	4222	3102	3865	10806	3705	54562	4181	10825	7029	4276	31713	32595	12036	2430	0	427	62156	97117	1032	8315	4898	22817	22372	19836	529	43884	35306	15380	7950	7591	7310	10063	32018	60724	40973	16783	42960	17015	4451	19584	12985	19514	4895	3191	2995	4021	1987	493	6133	17514	49871	15070	40826	5569	19496	53851	25637	17110	12900	12861	11210	7278	18220	15207	66622	59272	858	23994	30117	29048	36711	38945	8993	6033	11514	61232	10436	28550	761	5361	55070	Phytochemical	0.55	0.95	0.05
16	C20 H19 O11 N1	450.1031	450.10364	-0.06106286	450.10306	58766	70974	61343	64455	68667	41742	23370	22504	96045	172554	98801	18175	151922	23777	25398	29120	23437	105322	94133	122334	156915	184382	41392	34614	17308	34332	15450	38476	18271	17938	20446	14099	27858	19026	212738	18808	34894	23521	19647	112892	133819	35446	2502	325	413	112034	193897	698	16304	21068	67216	57429	46893	0	105652	78625	35648	31236	42484	22821	27405	100999	153251	103046	28971	96902	44732	14911	65076	57550	81558	19237	14549	11934	12040	14648	0	19365	42217	126714	31064	107777	15467	55709	87637	37661	42714	35227	38956	32109	32455	51927	44981	175131	248780	552	69804	60689	64068	65111	65874	33228	18414	29942	108876	28029	72270	350	16038	155467	Phytochemical	0.55	0.95	0.05
14	C20 H19 O11 N1	450.1031	450.10373	-0.020954743	450.1031	69028	65707	53626	57644	65533	39704	14102	22266	86471	144907	107525	19813	129289	25239	26538	33014	30943	89630	83220	114294	164038	208408	40005	27697	15456	27717	15566	43164	18137	16381	18215	16748	32931	17325	210956	15209	32671	26583	23697	97025	155859	35171	0	0	0	106646	202427	343	20224	17815	54065	50140	45897	0	107621	64536	31020	27505	37982	28696	24823	100639	146086	96014	31065	83545	45657	25119	70725	38632	74626	17209	18826	11661	16570	19795	0	14726	41223	107942	35636	92899	16229	35922	79915	38166	37521	33267	34046	40471	24129	38578	46223	187041	168817	0	67721	48871	62976	66471	70011	44191	23936	38262	164937	27660	57330	0	19185	125156	Phytochemical	0.55	0.95	0.05
10	C20 H19 O11 N1	450.1031	450.10376	0.012086551	450.1031	28028	29085	19582	25849	26036	12378	6209	11827	39270	65816	47682	13221	54566	10475	9800	10733	11993	37938	39865	41191	75877	73852	14173	12222	2443	9476	7296	11624	8276	8301	6350	9496	16660	9125	87235	7305	17011	10475	13444	34622	81928	15805	741	0	0	39636	95424	0	11085	8166	25458	28886	18963	0	50625	30656	15144	12209	11399	15917	0	42288	65444	46236	12894	33250	19889	12841	35517	19646	36945	10315	5988	4765	15607	8842	0	9784	20584	35389	12961	36348	6474	13919	37051	14900	17402	18388	14824	22610	5457	13579	17331	71404	58647	0	26528	29479	30951	39787	37165	15694	9474	12000	45117	11500	26839	0	7189	58312	Phytochemical	0.55	0.95	0.05
18	C20 H19 O11 N1	450.1031	450.10364	-0.06286622	450.10306	48617	38605	43827	45467	53740	27240	10190	11296	55597	100260	47320	12307	116727	27531	22833	15832	9345	77605	73572	74416	96663	117826	27512	20976	15574	20471	9366	20813	10099	8331	9549	9513	21125	6950	117311	9516	17174	20153	9615	64346	69748	21891	2340	0	349	96328	137291	892	14429	12413	39995	37781	36156	580	72777	63024	25182	18769	19852	15896	19917	64542	105023	67444	28033	65968	32352	9733	38672	30737	32552	14634	8787	3421	8951	5176	0	9767	27872	80380	23800	81420	10539	25737	59052	38068	27097	20482	23566	14310	17786	36337	25870	97995	129070	0	42689	52831	49093	49674	57953	17732	11769	18061	84588	18879	41598	0	12590	94239	Phytochemical	0.55	0.95	0.05
12	C20 H19 O11 N1	450.1031	450.10376	-0.017586732	450.1031	55252	46840	47380	42090	51943	22839	16964	21519	60083	113537	82529	20283	84350	14206	17719	20209	21022	66961	61546	88922	130005	137054	35930	23077	4752	21585	10152	31889	11366	15272	13145	14329	24811	12489	160568	14045	19991	19318	24673	83754	149404	20352	736	0	0	77866	171819	0	15923	18857	52322	46213	33411	0	81425	50682	23626	22105	23259	32915	23654	81694	130281	64661	25863	63483	25805	27242	58897	38528	66012	15653	13102	9427	14868	16755	0	16030	32563	92371	28623	71014	11215	26361	60810	24901	37819	23739	26137	44168	13282	26339	32319	139819	95539	0	45431	55978	52657	54594	47579	28742	14286	23693	97696	26094	47748	0	11871	106038	Phytochemical	0.55	0.95	0.05
8	C19 H19 O10 N3	450.11432	450.11505	-0.020330712	450.11432	9472	10787	8996	9100	8641	5629	3297	6427	14586	10325	7439	4958	17108	2135	3257	6118	6971	10794	15381	7640	18000	15943	7618	7206	2444	2327	2360	2351	2155	3842	4261	4505	5765	4403	12103	4529	4807	4397	6886	11859	21889	7548	0	0	0	13504	26023	0	5872	5835	10625	7197	7556	0	14523	10021	5386	7218	3184	7583	5380	7795	0	16031	6001	13157	6752	13277	0	3430	3260	3744	4241	3717	6775	3705	0	3653	7248	5990	5898	10012	2609	2292	14083	5020	7475	8932	6550	14342	0	11730	15370	13540	8610	0	10827	10071	8154	11281	11784	6684	4798	3998	10186	10036	8569	0	2515	2484	Peptide	0.5263158	1.0	0.15789473
10	C19 H19 O10 N3	450.11432	450.115	-0.03298166	450.11432	15401	8641	11244	10933	11031	6226	5392	8719	14430	14048	7895	9381	18688	3745	6583	8509	9460	15354	14352	11648	15972	23219	9555	6233	2773	0	4119	0	4562	5492	5995	6149	11142	6035	17283	3719	11118	5083	9461	12372	19435	6431	0	0	0	13035	24191	0	6396	6743	7613	9406	10858	0	0	9667	6480	8293	7364	8250	10518	15434	27563	18063	5740	16020	9873	12783	0	0	4945	5478	6363	3145	6984	4765	0	7592	9018	9707	6343	12817	3026	3173	0	7634	8519	8792	7479	16775	5746	10156	17967	18330	12045	0	10790	13522	7079	13665	12047	8947	7748	7649	22137	10836	8220	0	5647	27896	Peptide	0.5263158	1.0	0.15789473
12	C19 H19 O10 N3	450.11432	450.11496	-0.042464543	450.1143	265613	335927	406653	337612	643215	393746	9812	234254	1042200	491759	428123	271462	1611406	210432	281292	164320	252300	924079	1078369	465710	798481	642894	474131	12772	21031	257211	54849	0	175715	178428	179096	63078	303612	81266	682915	151032	215811	271962	254909	483032	550093	451558	7812	0	0	421464	765751	0	201109	180524	283406	261299	509822	0	1696513	1060972	371839	135265	32128	15948	0	232023	1784600	1208353	299995	1090280	390650	236666	82776	416386	592210	146212	124683	98032	170862	83336	0	193212	307050	78543	260087	479553	49982	266826	1032779	332238	276791	275430	422853	127045	58890	243904	362789	696876	611450	0	309035	458247	728487	838218	920593	191534	190061	36422	74820	272993	790366	0	155122	1738512	Peptide	0.5263158	1.0	0.15789473
22	C24 H19 O8 N1	450.11835	450.11884	-0.07987648	450.11832	9004	10444	4624	5560	5714	2462	0	0	3388	31536	30238	2468	5680	0	2268	6942	8526	7112	1738	12196	18174	15700	0	0	6508	41352	0	18544	0	2506	3622	0	2442	0	37706	0	4044	2862	0	22824	30388	4502	0	0	0	22542	49714	0	0	0	7498	8126	5792	0	0	5322	6104	4310	0	3388	0	14678	3216	5238	3750	9428	9980	4272	56690	39256	75604	0	0	0	0	2320	0	0	7844	23290	6410	18760	4376	17002	9900	6776	7674	8414	6996	8298	7006	0	6130	32278	35888	0	6624	10346	8814	6812	4868	7722	0	8158	16070	4196	4308	0	4260	3720	Phytochemical	0.33333334	0.7916667	0.041666668
20	C24 H19 O8 N1	450.11835	450.11887	-0.0430756	450.11832	5891	5654	5602	3518	3647	1449	0	0	5973	19015	17064	0	2095	2509	0	2479	1622	4849	0	12828	11591	9048	2553	2784	1588	30398	0	12550	0	0	0	1756	1884	0	21547	0	2118	2129	1541	10946	19080	2573	0	0	0	12055	17684	0	1519	1547	4709	6909	1793	0	2519	2646	1834	0	1390	3237	1353	7836	3357	3643	2143	3104	1693	0	26150	32852	44345	0	0	0	0	0	0	0	3555	16899	2129	7664	3135	14113	4401	2187	3372	3483	2383	2051	4011	6236	2066	21911	16510	0	5583	4161	5436	2629	3833	0	0	2403	8202	1560	2550	0	1608	1505	Phytochemical	0.33333334	0.7916667	0.041666668
8	C21 H23 O10 N1	450.13947	450.14017	-0.048172113	450.13947	55352	48307	37406	43394	32645	22069	18140	32050	40804	126886	72520	24111	55631	16797	23605	32120	23747	37451	47386	90285	241274	157876	28044	43401	11506	24522	15915	41841	26759	24068	23752	36387	30015	24292	161792	27314	31216	18797	30460	70799	199716	20398	689	0	0	73800	104887	0	27813	31320	49403	54381	26719	0	54021	35858	16569	30309	26108	33370	37182	56734	69037	43901	18499	46345	19956	36362	52660	47566	72556	27825	23428	24204	19185	22375	0	16656	31313	42661	22877	87030	19529	34782	34987	21233	30954	20968	24529	46531	21626	38414	47211	73699	86305	0	48905	50337	34193	38883	30404	31501	21337	36814	43874	31026	29512	0	19308	56674	Phytochemical	0.47619048	1.0952381	0.04761905
26	C21 H23 O10 N1	450.13947	450.13995	-0.09226856	450.13943	4803	4962	7884	6806	7759	8900	1623	0	10636	24896	4100	0	21639	0	6461	0	0	13035	9298	16706	20220	13286	0	7058	0	10038	0	3798	0	0	2722	0	3629	3411	21106	0	3258	0	3393	13149	8760	0	0	0	0	15409	19925	0	4892	0	6394	5527	5741	0	10681	5903	3198	2478	2451	0	0	9592	15091	8071	2686	11109	3636	2406	12841	21235	18824	3036	2830	0	0	0	0	0	5580	7398	4161	9007	0	6210	12654	0	5901	3720	2599	1988	4458	4188	4949	7228	19751	0	8081	8417	6074	5212	9541	0	0	0	10933	4461	0	0	0	16244	Phytochemical	0.47619048	1.0952381	0.04761905
6	C21 H23 O10 N1	450.13947	450.14023	-0.052318443	450.13943	17594	19885	14504	16963	16480	7144	5373	11480	21976	49680	26962	9118	27727	6930	8258	15603	12852	18145	21590	27397	47379	35259	11339	10725	3487	8671	6835	12723	8358	8709	8779	11794	13960	7995	58706	10180	14193	6855	16391	21382	84968	8720	0	0	0	23960	44532	0	12320	11501	21946	20541	10707	0	20993	17124	7351	13917	8270	13283	13675	18790	28808	18431	7840	21831	11317	15282	17141	17151	26161	8905	9430	7219	7230	6782	0	6473	11366	11345	9558	12932	7091	9324	16884	8581	9942	10447	10351	21367	6323	11074	16606	32603	31435	0	17782	20082	13519	19133	22179	12162	6948	17460	21949	10933	12259	0	6634	32132	Phytochemical	0.47619048	1.0952381	0.04761905
28	C21 H23 O10 N1	450.13947	450.13998	-0.058337152	450.13943	5753	6504	6087	5691	6326	4363	1122	2854	5998	22283	6467	1922	11367	3062	0	2103	0	9058	7622	11571	16237	10269	3900	3984	3188	11539	1683	5294	0	0	2667	2107	4741	2475	20293	2066	2841	2807	3372	10562	8166	2156	0	0	0	11184	13804	0	3834	2453	6909	6366	5817	0	7134	5667	1731	2657	3117	0	2480	7816	9169	4380	2138	6990	3486	2152	10058	17471	16919	2486	1927	2365	0	1822	0	2181	4503	6034	2679	7611	3713	4404	5162	3100	2909	2183	2921	2395	4720	3831	4496	8479	16294	0	6981	7687	3283	4254	2775	3735	1930	2437	9719	3233	3546	0	1948	9379	Phytochemical	0.47619048	1.0952381	0.04761905
10	C21 H23 O10 N1	450.13947	450.14014	-0.033871662	450.13947	89607	97988	81880	75454	49912	43080	34643	70322	73063	241267	127116	44975	98654	26994	46688	63704	47274	80301	80213	161796	206788	166579	55974	66100	30269	77701	38848	75906	53835	51462	51830	56682	72474	50314	292716	50943	71226	38897	54629	159940	345748	39963	922	0	0	137917	173883	0	61114	59548	88721	82700	49707	0	98511	52581	33378	73000	61126	61405	57150	121978	100331	87416	30529	75281	47513	71742	116517	113849	136432	55744	54498	54062	43736	55890	0	40554	62098	82773	47501	177618	39966	76593	65314	34638	55921	43446	44842	75680	45169	68381	83598	120416	158211	0	84723	94005	52095	51181	52156	67717	43003	74389	117757	52829	49186	0	36172	107994	Phytochemical	0.47619048	1.0952381	0.04761905
24	C21 H23 O10 N1	450.13947	450.13995	-0.07561213	450.13943	8453	12480	14139	13854	15515	11113	2085	4375	17368	40516	12405	5164	26661	4865	4933	6598	3525	19365	14494	20069	30595	22984	6743	7711	4802	20450	1758	7128	4760	3974	3075	3130	5722	5769	32829	2602	4982	5954	2639	23196	16040	5663	0	0	0	33129	36206	0	3474	2496	12534	11298	8779	0	17598	14567	6689	7687	4574	4131	6811	16489	21402	14485	4823	19249	7974	4030	20896	32269	27418	4520	2689	2937	2272	3471	0	3613	8375	17388	5831	23372	1887	13824	16380	9074	6862	4739	4927	3653	5613	7121	8479	20460	29289	0	11553	15058	9698	12347	14422	5356	2417	6285	21837	4501	12710	0	5068	28247	Phytochemical	0.47619048	1.0952381	0.04761905
22	C21 H23 O10 N1	450.13947	450.14	-0.08539786	450.13943	23119	26560	21873	36241	31946	26559	9380	16136	29803	83326	27944	8397	50721	13094	15703	11556	9175	50140	30725	62934	58861	48898	18503	19904	18114	47855	7069	21070	11940	9821	9448	15338	20673	14031	75295	11065	18038	14842	9535	47414	36955	16683	0	0	435	62428	83176	0	14852	13991	31468	30454	24405	633	46690	26617	14046	11786	12583	8235	17781	40550	55964	29965	16440	36729	16765	8672	43166	68073	63886	13585	8063	6722	11779	10159	412	12297	21390	28959	19551	50986	9844	27493	41936	24691	17444	17444	14789	9466	17078	20351	24016	42807	71297	0	21821	33618	24371	30309	34175	16606	9565	18963	53454	11863	29482	0	13748	53171	Phytochemical	0.47619048	1.0952381	0.04761905
22	C19 H23 O6 N5 S1	450.1442	450.14465	0.02850064	450.1442	0	2652	0	0	6814	0	1980	2875	0	2272	0	5714	0	8429	16272	2095	34010	0	2431	0	0	0	1728	3395	2422	0	2389	0	2058	3082	1575	0	0	2780	0	2857	1693	19459	31086	2662	0	3149	0	0	0	3587	2752	0	2791	2313	0	4042	5376	0	1752	1613	1836	2027	2169	2178	2481	1204	0	1700	4595	0	3032	31819	2077	2649	2767	2893	2398	3211	15499	1984	0	2623	0	0	1197	0	1538	0	1476	0	0	1237	1685	0	0	0	4414	0	2149	0	1803	1401	0	0	0	2812	3009	2115	0	2541	1522	0	2515	0	Peptide	0.31578946	1.2105263	0.2631579
10	C20 H23 O9 N3	450.1507	450.1514	-0.08442687	450.15067	65331	67875	59845	55919	0	0	42256	74749	35567	67530	36625	57060	43916	18266	55704	73712	56604	44095	48884	64775	0	0	58986	92979	45832	10337	39113	22281	65736	55930	0	67550	76341	62673	86073	59758	78243	50361	78462	84081	84600	38753	678	0	0	80638	85455	0	68459	62102	61669	61525	32603	0	56287	0	24856	69405	69101	58491	81309	54199	47155	0	27552	46847	37813	79415	21568	30395	31459	68799	58370	56572	45089	0	0	49574	59430	35424	0	53059	44258	29041	30388	26420	57222	0	42540	0	57681	79364	0	0	59152	0	67953	60789	23833	23478	26620	76489	46264	76385	65348	69566	20828	0	46475	51528	Peptide	0.45	1.15	0.15
14	C20 H23 O9 N3	450.1507	450.15118	-0.058864698	450.15067	30751	27954	0	29164	15981	18031	22904	0	17896	24879	14105	23442	24321	10412	30625	42251	0	24540	27460	26407	27077	49033	30066	47105	0	4311	0	14347	25248	32486	30686	38961	39876	29019	33363	30069	34711	28524	0	31864	30243	18935	0	0	0	34162	33884	0	33536	29927	27338	25120	19663	0	28686	14438	12023	44570	48349	26092	32903	23970	24128	19227	14087	21506	20949	0	0	9535	8147	30347	29243	23230	28995	25524	0	25039	31098	28920	26734	19693	23247	15450	13495	15945	0	21157	21406	56379	39061	43868	63570	24435	27988	0	30239	30742	13518	12512	14436	36979	20753	32748	19875	0	11693	0	29586	23356	Peptide	0.45	1.15	0.15
12	C20 H23 O9 N3	450.1507	450.15125	-0.07662361	450.15067	46193	48725	53324	47311	23181	23673	43355	65472	28460	43792	21841	0	38675	10880	49991	0	56830	38914	56741	49540	47744	93320	53135	62609	43588	6540	29274	23924	53275	39214	55802	0	64315	47106	65442	0	0	53777	68836	58368	63338	23137	485	0	0	63926	0	0	50177	51559	47422	49978	28793	0	48585	19259	21244	58086	53208	50207	51269	46936	35109	29159	19440	40373	32869	66286	0	25665	21683	50140	46643	42960	34088	41761	0	40938	51051	31132	0	42827	43694	26948	27323	21512	47317	32814	35131	106534	46210	74252	98770	41368	32236	0	50019	0	19421	22775	17127	0	38724	62400	37342	58293	20674	0	0	56954	Peptide	0.45	1.15	0.15
16	C20 H23 O9 N3	450.1507	450.15137	-0.037931696	450.1507	13935	18631	14939	15315	9026	10976	13431	22192	9399	11197	6295	9997	23748	4791	18114	16964	18027	18454	22650	12058	14695	18212	14292	0	17088	1779	9579	4865	19367	16476	13565	16627	0	16386	11639	16693	24176	14916	22611	14210	13731	8982	0	0	0	13089	14627	0	15003	13937	13979	14636	10208	0	10979	5245	7693	25716	18332	10453	15621	8980	19557	8551	5642	19902	10264	17042	0	8097	6156	14336	14211	10369	0	0	0	11683	19902	0	14960	10149	15000	10173	5785	7061	19867	12614	12222	28606	14063	0	52558	8340	10073	0	13220	16396	5252	6806	9699	20697	0	20069	0	18247	9739	0	14182	20043	Peptide	0.45	1.15	0.15
8	C20 H23 O9 N3	450.1507	450.1514	-0.08262133	450.15067	60351	64479	51739	62319	26823	25208	33303	58186	33325	62973	41188	46929	43176	11202	44466	68675	60136	41162	51734	63367	64667	96446	50586	74130	30207	7656	32853	19394	47041	52940	53550	67712	59749	44059	80258	53138	70428	37984	73805	78288	88533	30021	0	0	0	71638	93085	0	60710	57909	60734	63694	30493	0	0	22677	20039	60019	49099	61170	68271	54836	53961	37231	23735	40225	33922	76345	16730	24673	32108	54812	57313	44846	40344	45422	0	38117	52467	27588	39559	39692	33508	32430	29937	20519	46110	35995	38435	87198	39236	72666	98900	54114	59035	0	63125	59450	24153	0	26663	62642	37876	80021	46061	63581	19953	0	38173	47752	Peptide	0.45	1.15	0.15
2	C20 H23 O9 N3	450.1507	450.15158	-0.003866448	450.1507	5850	8292	4440	7062	6800	0	3516	6096	8962	5024	6358	8644	13098	2472	6771	1314	7278	7536	7468	3224	12418	13880	8124	6880	1600	638	0	2766	6016	2804	5618	5242	8540	4682	10966	3196	5920	5596	7716	5870	10292	0	0	0	0	3488	8250	0	4374	2244	4238	6966	6726	0	7916	7370	3742	6720	3558	6050	1822	3529	14904	8878	0	11469	7082	12996	2596	2476	3548	6998	4712	3914	698	3200	0	4598	7466	0	5170	0	3660	2082	8328	2824	6476	9686	6644	20050	5384	10812	13882	7302	0	0	8958	6684	5274	10298	7258	3666	4704	4595	3648	9459	6188	0	5420	14386	Peptide	0.45	1.15	0.15
20	C15 H28 O9 N3 S1 Na1	450.15167	450.15222	-0.3551078	450.15152	6762	5314	7703	7986	7170	4071	4548	3561	4061	18097	24702	3087	6954	4013	3028	5377	4586	3487	5757	11554	18243	9311	6045	6519	4797	39381	4112	19330	2969	4032	3693	6457	7655	5629	21689	3640	5338	3809	4918	21254	20494	4809	0	0	0	10704	13229	0	4337	4518	8942	6955	6658	0	4787	1946	3492	5730	4704	5027	7289	6984	1928	5194	3056	6077	10232	3227	50348	44733	61844	7414	3972	0	3397	5285	0	4760	5692	12760	4640	10685	4019	15543	5995	0	7755	3988	2605	6135	6297	8160	9493	15026	9137	0	9418	8667	3323	3307	4678	2840	4896	6938	12166	4992	4238	0	4064	6149	Peptide	0.6	1.8666667	0.2
22	C25 H23 O7 N1	450.15472	450.15518	-0.2204252	450.15463	6376	3517	5112	5099	4671	1619	1140	0	2884	16977	19588	1517	2551	0	0	0	2551	0	3015	9987	14803	8796	1523	3306	1568	35462	1271	17783	0	1217	1592	0	1284	0	14066	2133	1712	0	2098	14861	21476	1273	0	0	0	12007	15140	0	0	2117	5243	4051	2285	0	1986	2858	1796	2888	2459	1971	2232	8993	2993	2289	1990	2163	3097	1355	34417	30440	50901	1549	1729	0	0	1298	0	1713	3277	14078	1046	5378	1445	10524	3147	0	4619	2057	2726	5027	4223	5048	3112	8672	10543	0	3539	3734	2343	3045	2306	1645	1225	2062	9145	4874	4340	0	2264	1977	Phytochemical	0.28	0.92	0.04
24	C25 H23 O7 N1	450.15472	450.15512	-0.09878145	450.1547	1742	2104	3294	2398	1111	0	0	0	3437	8306	9673	0	0	0	0	0	0	0	2058	9509	7907	4530	0	2383	0	14451	0	11567	0	0	0	0	0	0	6809	0	0	1061	1948	6717	10493	0	0	0	0	7200	13107	0	951	0	1051	3644	2446	0	0	0	1170	0	0	1077	1585	3710	0	0	0	1487	2212	0	21526	12042	31682	0	0	0	0	0	0	0	0	2685	0	4474	1270	8002	2029	0	1423	1578	0	0	0	2635	1332	6114	4456	0	1227	2018	2805	1126	0	1878	0	0	6405	1481	0	0	0	2525	Phytochemical	0.28	0.92	0.04
8	C18 H27 O12 N1	450.1606	450.16132	-0.026771337	450.16058	18088	22884	17614	18394	13367	12533	10705	20325	13538	28221	17713	13561	22884	4246	18171	11307	17227	15450	19125	19204	21286	19596	11771	22084	8152	6037	12066	4664	8267	19457	14195	17956	11435	10899	34321	17433	12356	9105	20313	26845	21817	12413	0	0	0	30290	19661	0	18220	11061	17685	19745	13440	0	17809	13009	6668	9993	6862	15187	15168	12548	14455	13459	6954	18606	10841	22113	8430	11215	19243	9506	12841	12918	13844	9408	0	13881	19983	9124	9446	9235	10154	10273	15707	10927	19203	8692	16693	27472	0	13282	28032	14953	15124	0	20519	13853	9336	12835	17017	16186	8186	19953	0	18473	11887	0	6916	14829	Unclassified	0.6666667	1.5	0.055555556
12	C18 H27 O12 N1	450.1606	450.16116	-0.19016944	450.16052	37673	46985	46334	37622	37528	29284	20052	56788	62218	44430	23780	25274	96670	18222	34679	39310	26281	83731	70651	71147	86193	68112	59123	28105	33133	13868	13825	19230	33150	28666	42673	33644	36335	18219	87433	27314	41668	31391	38280	57906	39764	29918	498	0	0	55568	65369	0	53801	30805	39276	38585	30948	0	133898	57030	24271	37815	41804	18922	0	57521	75344	67160	20890	52313	22848	23430	0	27078	70539	42777	25967	29982	28527	31982	0	37291	31396	24831	32081	24195	42924	23381	49952	31589	32543	17509	28326	25117	17743	41776	42591	32398	65229	0	23243	38627	46265	36828	44186	39511	36149	46759	0	40413	52802	0	32259	69545	Unclassified	0.6666667	1.5	0.055555556
10	C18 H27 O12 N1	450.1606	450.16122	-0.17657478	450.16052	20239	38519	31262	31484	19782	16919	13717	27461	31580	38832	26168	26315	53601	10718	23776	35694	31369	37720	43924	48975	54442	28161	31140	46985	21111	10061	17538	12985	21285	32674	29342	36137	34131	16323	32981	20021	21455	18419	32298	35992	29034	27369	0	0	0	46713	52979	0	28161	29745	39134	34299	16415	0	52358	31502	14745	31416	28710	16569	29478	31281	51874	32202	12175	31633	17427	30264	0	23984	21482	28699	26995	21986	20395	15050	0	16288	34457	12577	23745	24514	22721	17443	33968	22436	18176	15864	18116	30401	20231	18934	24998	34903	42242	0	34198	45772	17584	24369	32498	29484	23778	24298	0	31981	30275	0	19514	42361	Unclassified	0.6666667	1.5	0.055555556
24	C18 H27 O12 N1	450.1606	450.16068	-0.22026664	450.1605	6512	9129	6242	8434	9657	3435	0	0	7526	19999	20108	0	8587	6824	2337	5673	4290	5645	10101	14137	24520	15051	4236	5386	10502	42707	0	23916	3236	0	3110	0	0	4092	26534	0	5793	1483	4502	23221	19685	1791	0	0	0	12492	13711	0	6405	0	5350	9404	7106	0	6109	5106	1285	5514	4816	4202	2566	18350	7064	6829	1341	9378	4690	4192	37406	39822	47736	3227	1203	0	0	1119	0	0	4525	14825	1694	10816	4132	14673	7499	0	8415	5944	1950	10361	20097	13342	11476	17047	21918	0	8494	7418	8691	9307	9438	4383	0	9594	9032	3764	7015	0	5350	5316	Unclassified	0.6666667	1.5	0.055555556
12	C22 H27 O9 N1	450.17587	450.1765	-0.066463254	450.17584	138306	141655	145078	139102	78786	57959	88387	331306	86571	296470	163166	79041	102830	46992	100376	135843	117599	114288	135222	600390	309676	230491	110428	153582	186704	182807	73475	148470	138968	227390	131523	252372	145305	117232	411439	250448	248378	94847	119650	487250	231241	68189	1428	0	262	198778	193545	0	125793	130591	138639	138888	73482	459	124641	61005	50739	135481	132719	130098	144012	158852	120344	87971	41894	103705	73768	127909	177667	241316	242123	128472	227262	126220	94022	110704	0	93927	107635	95947	97060	122889	201868	140768	72866	63073	103489	59783	80657	175220	121546	167223	180878	134482	154968	611	144207	162308	68545	60823	62321	134859	83180	168987	129637	119867	67333	0	90487	122526	Phytochemical	0.4090909	1.2272727	0.045454547
4	C22 H27 O9 N1	450.17587	450.17667	-0.09653634	450.1758	8686	8305	8291	5788	5686	5072	2971	7327	6144	12541	8581	3743	9038	2540	5716	7455	5973	6534	8157	12024	13747	13567	6663	9044	3385	5407	3587	5135	4369	5407	6576	4700	6454	4805	18824	6347	6050	5318	8112	10255	11767	5098	0	0	0	7968	10208	0	7153	6332	5679	6915	4354	0	9438	6308	2787	5779	4518	6963	7174	6958	6980	6820	2655	7472	4090	7381	6553	8903	10796	5632	4466	5567	1646	5516	0	5230	6008	3824	5795	5627	4423	4406	6860	4010	6658	3633	5490	14474	5728	7062	23850	7597	11980	0	7959	10253	4848	7863	7281	7407	4419	8821	4752	5354	4340	0	3305	8900	Phytochemical	0.4090909	1.2272727	0.045454547
6	C22 H27 O9 N1	450.17587	450.17654	-0.13303109	450.1758	48544	58722	54952	55604	16933	15677	26822	53436	19378	69688	31555	27312	29752	9637	16818	30364	17326	22777	29418	99302	143014	95162	39538	63326	13873	17380	12163	24214	40836	37084	41152	47608	53086	21514	161288	22956	56044	33056	44438	37844	90302	13148	0	0	0	30440	35618	0	24717	21608	27232	48258	14579	0	28267	15322	8171	48490	16704	35042	25188	29688	26204	23394	7492	24866	16179	50204	26298	30865	36764	44876	32658	39722	10063	34292	0	13501	20195	13411	29448	16901	28180	17892	17458	14581	45550	15076	14467	54784	30879	62326	32707	32041	41585	0	58212	57416	12262	15565	18021	25388	26298	30409	23770	44384	11947	0	28310	28121	Phytochemical	0.4090909	1.2272727	0.045454547
22	C22 H27 O9 N1	450.17587	450.17633	-0.12484778	450.1758	67145	65736	70103	67948	72465	57237	25754	59302	72774	197738	83306	33549	103498	35449	42862	51964	29218	100095	0	166242	159593	90711	52784	59350	43109	150401	20835	68077	51201	40470	0	42583	48575	43756	206704	45316	51563	34165	28959	123739	88165	34671	2654	0	0	107548	104261	0	51602	48137	62241	67701	52147	648	83255	68072	34639	42344	41281	25817	52264	85980	94278	63128	28900	0	0	25538	128724	195122	140107	52831	41305	40410	27903	37267	536	32880	48307	51843	48657	68670	26968	65046	85969	42427	49610	41807	40237	35304	53548	63236	64749	65608	102516	0	65221	67560	57475	53396	56325	54976	33047	0	74838	0	51902	0	37584	103023	Phytochemical	0.4090909	1.2272727	0.045454547
14	C22 H27 O9 N1	450.17587	450.17648	-0.055456527	450.17584	231225	234151	216214	224071	121625	131512	154805	240843	160227	476583	248522	123990	175420	83620	184313	236853	157433	202666	216686	512270	506616	342726	180786	270624	179226	356111	127420	233720	202476	212054	188572	253330	228801	186488	600743	206441	206453	144945	166256	354927	315714	127580	3125	712	321	327080	262619	553	215981	222654	213999	210149	116533	820	195715	113127	76621	233238	273113	180808	283650	258704	181161	158791	87785	144149	131984	158105	317823	477387	361750	199132	193167	225274	149183	193770	252	151263	163665	167773	140258	174798	170883	220510	134881	107614	153196	125122	139293	235087	213193	243536	301397	201398	285903	1579	225875	234361	110910	101066	112305	223313	142884	304448	238837	201679	110352	413	150295	179391	Phytochemical	0.4090909	1.2272727	0.045454547
16	C22 H27 O9 N1	450.17587	450.17654	-0.02497251	450.17584	285432	280350	276228	286002	196403	169479	162317	312469	197225	648456	310293	160940	265816	121246	215477	280146	177283	303554	315368	721896	644814	394743	232066	305953	209646	480645	133316	259571	267342	246199	258456	274105	291052	219980	785726	265552	272962	167291	177151	510439	336841	162046	6808	1091	443	386804	303949	831	287360	274105	295539	289218	176006	1509	236174	153814	119246	266774	250279	175538	297824	321774	252036	172511	92574	210482	172772	165701	431378	654250	491792	279999	249394	280809	179645	252179	454	172417	199076	219471	160342	220225	214717	314728	203270	128825	177628	144517	161331	250662	276881	330282	487409	227935	386420	1789	292927	304140	154596	146233	153793	296790	146889	314700	206596	282560	148328	0	171601	279404	Phytochemical	0.4090909	1.2272727	0.045454547
28	C22 H27 O9 N1	450.17587	450.17636	-0.14361466	450.17578	6808	5193	6529	5013	6721	4930	1746	5503	6086	17788	5867	2142	12092	3418	5777	5721	3680	10030	10670	13783	16382	7389	6387	7370	3334	15587	1727	7026	4203	3692	3710	4507	4837	4553	19931	4387	5612	3309	3864	11430	9041	3809	0	0	0	8053	10095	0	5013	5015	6576	7129	5622	0	7615	5541	2641	5231	2624	1755	4362	6908	7988	6756	2764	8131	4105	2901	17959	28301	25128	5883	3277	3502	3579	4411	0	2947	4392	3997	3695	4568	3284	5434	7505	2459	6147	2830	4184	3202	6082	7403	8635	3752	11860	0	7584	7308	3230	4655	5374	5093	4157	5113	5236	6066	4102	0	2642	9990	Phytochemical	0.4090909	1.2272727	0.045454547
26	C22 H27 O9 N1	450.17587	450.17633	-0.11695849	450.1758	11681	12068	12636	10714	13422	11686	2056	7104	13825	29024	9453	4378	20652	5712	6776	6300	0	20659	15059	25352	37656	13016	7184	13564	0	20959	0	8115	6669	0	5955	5044	7428	6747	35526	0	9770	4388	4529	16406	16551	0	0	0	0	15668	20107	0	6887	0	12120	9411	8063	0	11941	8895	8591	9341	5307	3799	7269	12232	22822	12804	3992	14774	5568	3950	23233	43987	37232	9851	7640	7793	6883	5150	0	3249	9573	7990	7485	9274	4124	7571	13729	0	6569	7180	5576	5598	7431	5816	11739	8951	21034	0	11829	13058	5926	10176	8665	6951	4410	7498	7866	8662	4604	0	4176	22457	Phytochemical	0.4090909	1.2272727	0.045454547
18	C22 H27 O9 N1	450.17587	450.17648	-0.018667292	450.17584	284636	254353	264940	238118	203391	171851	133624	258078	190798	698499	319498	129050	295786	123339	181094	225853	139337	298265	301171	685163	566319	324443	207209	282840	182412	475622	121067	265004	250531	206123	226420	218751	246815	225707	723602	236638	279811	151489	135479	509995	292985	152432	8226	773	483	361466	266445	876	226171	221954	252708	267046	166243	1611	286373	168280	107077	204336	191250	126020	231584	302713	253554	187157	87887	214395	161138	140924	430327	568294	486399	235128	199491	209269	147052	205035	654	154352	172340	182649	167363	213609	158576	270614	208915	152168	172535	150895	150392	153652	263342	305517	323160	202066	370189	2135	257138	270049	166193	131702	156999	228565	131518	273830	191633	209063	152214	740	156282	266685	Phytochemical	0.4090909	1.2272727	0.045454547
8	C22 H27 O9 N1	450.17587	450.1765	-0.10167086	450.1758	56661	120308	92094	56733	28398	26730	22923	94236	36388	275060	66573	54068	48858	17198	59742	103794	35957	32516	106118	236828	119552	92283	31508	109706	46640	38482	52998	52424	43065	39950	35766	85816	97110	73774	345144	73228	49600	53764	39725	90553	84858	25548	812	0	0	75760	70070	0	53814	41741	116292	56275	26166	259	50581	28424	19144	95876	63552	36402	54466	52053	48583	45006	16780	41239	27555	84374	62887	69770	73948	46695	41148	73468	25999	38508	0	56262	80642	43828	58110	75450	60532	47494	31695	17730	35234	24837	50672	103472	42493	60538	71661	54763	155212	0	54928	55799	27774	32639	30288	46053	49170	120618	37883	79102	24507	0	25649	49274	Phytochemical	0.4090909	1.2272727	0.045454547
10	C22 H27 O9 N1	450.17587	450.17654	-0.08549811	450.1758	192466	173748	84084	150746	39706	42076	48915	186368	57775	412590	90273	53136	77761	29844	63452	86383	115308	59155	79637	386658	383534	264162	57072	203240	53509	99369	48955	81304	75856	66827	68771	166560	81582	141034	520430	152216	86618	53021	73169	146495	127008	38903	1061	0	278	111568	95328	0	165076	71311	82363	88322	45006	0	79513	41041	27769	86114	68462	69071	85987	96322	73335	60449	27206	69684	41458	149760	95590	129327	123804	74719	141378	68040	54469	62762	0	49454	70794	67266	110970	65098	114528	70437	45606	31910	59118	39069	49550	170640	81530	178850	109751	150878	127116	0	90239	183014	40156	40140	36097	80035	44301	104499	67746	72533	39938	0	51118	66106	Phytochemical	0.4090909	1.2272727	0.045454547
14	C21 H27 O8 N3	450.1871	450.1877	-0.13448283	450.18704	43762	38624	44625	0	16743	25392	0	61283	19302	29139	15132	28329	21231	0	42358	56891	39748	29514	30345	36857	27513	76414	40716	61112	54008	0	34078	20097	48415	42153	43459	45530	0	44032	37342	45913	50057	41304	0	38512	22030	28733	0	0	0	40052	32155	0	0	42457	38728	42121	20173	0	24544	11118	18666	52103	76800	33073	68893	28692	15878	20955	16606	25377	27401	40255	0	17480	9316	45764	35420	44222	25801	35616	0	39129	38587	25986	34651	26334	36152	22039	9750	18096	46685	25013	29323	68036	73744	0	107365	27839	30457	0	41886	43966	12955	10197	8152	51037	32887	66533	34413	48234	13930	0	38868	22150	Peptide	0.3809524	1.2857143	0.14285715
12	C21 H27 O8 N3	450.1871	450.18756	-0.16631909	450.187	55633	57876	0	0	21847	0	60115	88872	23680	43588	26013	40393	20767	11558	62255	57460	62687	31997	45330	0	46334	91217	61198	83597	0	12493	40045	22706	0	56201	68713	63157	0	59503	73956	0	74015	54220	0	70926	67190	30438	695	0	0	73573	54537	0	74947	68335	52990	56920	28756	0	33761	12760	21629	80047	102582	57799	65761	0	26258	26806	18789	35943	34075	73390	0	34441	17772	0	58425	52965	0	47962	0	0	60479	29142	41556	50001	60765	39015	14902	24584	0	0	36564	107520	85523	106459	0	38364	42018	0	0	65087	15644	12704	16482	54556	46920	71775	39237	0	17245	0	63629	33074	Peptide	0.3809524	1.2857143	0.14285715
4	C21 H27 O8 N3	450.1871	450.1879	-0.101637945	450.18704	16035	16414	13069	10647	5310	6886	7577	17586	8024	8770	4872	9141	8175	3070	12007	17270	17849	10194	12071	12547	11296	19873	13875	17689	10117	2417	8591	5274	9653	11222	13171	12551	16115	10834	16044	12441	14490	11464	20949	12871	16002	7577	0	0	0	14552	16042	0	14304	13642	12946	9655	6342	0	10896	5864	5011	14965	12861	12948	20135	10077	9582	9658	5860	8863	7230	18631	4307	5405	6643	11846	10103	10877	5390	10027	0	10116	13476	6312	10053	7536	9841	5689	6446	6850	13016	8568	7762	25149	14532	19611	32763	11289	12570	0	11616	15541	5375	7115	6988	14092	8652	19303	8375	15667	7001	0	11113	9320	Peptide	0.3809524	1.2857143	0.14285715
8	C21 H27 O8 N3	450.1871	450.18774	-0.11368113	450.18704	62665	66975	58365	64761	19677	25046	42757	0	26186	54255	32408	41982	31045	12629	45811	72041	57879	31657	49259	69753	65367	100077	53125	81506	50589	11062	43344	27085	55113	60075	57033	66432	72964	58682	68573	67999	67059	46452	75812	69853	63546	31283	0	0	0	82129	61005	0	79826	63438	59782	63773	27931	0	33462	14621	22811	73407	56399	54755	83823	44987	29900	27855	22694	32525	32657	72873	12481	28031	32091	66550	63509	0	47829	56574	0	40146	61700	43095	47912	38887	49898	38330	17798	21630	53434	35017	37546	99519	90785	101912	0	44595	68266	0	60730	56848	18222	16163	16188	68948	40985	92814	34741	69924	20841	0	55653	36164	Peptide	0.3809524	1.2857143	0.14285715
2	C21 H27 O8 N3	450.1871	450.188	-0.07781822	450.18704	7314	7087	5992	5809	3558	0	5953	9154	4511	4060	3274	6728	5553	2084	6929	2403	12789	4802	4620	4206	8957	12242	8490	7155	3479	878	0	2216	7693	4615	8426	8098	10393	6878	6539	6839	7695	5365	11047	6571	9204	4348	0	0	0	4754	6805	0	6095	6297	6601	6320	4582	0	6538	2843	3456	9546	3964	6821	2832	4387	5555	5803	3327	6056	5088	15749	1530	2939	3222	6702	6461	6001	1344	5928	0	6348	10102	2850	6934	4186	4829	3234	3667	4545	8705	6478	5550	23567	7323	10759	17275	6204	1228	0	7209	7824	2708	2210	3680	4582	6634	5476	4911	9410	3509	0	6823	5272	Peptide	0.3809524	1.2857143	0.14285715
16	C21 H27 O8 N3	450.1871	450.18774	-0.0733778	450.18707	17657	20652	16176	25786	8613	11584	20136	24342	8073	13782	5469	14916	11082	5206	22207	25953	21380	20690	16063	13766	9859	38174	22711	33372	28765	0	15479	12495	23432	17366	24285	21177	35380	221852	23724	21629	31251	17974	19121	19243	11957	12788	0	0	0	19494	11233	0	26575	25971	23291	19460	12823	0	15927	9100	8050	27297	28160	11517	35281	11104	10805	9603	6298	16369	18420	20744	0	9788	0	199849	49029	19198	16335	14892	0	14658	19299	13427	15682	12401	23535	12635	8923	8248	22995	12951	16952	48298	35106	39043	69086	11618	14903	0	21248	21414	0	7591	6923	33791	14140	19059	11579	37492	9200	0	23826	16231	Peptide	0.3809524	1.2857143	0.14285715
6	C21 H27 O8 N3	450.1871	450.1878	-0.13655058	450.18704	40372	41821	40015	37964	14954	16336	26151	43618	16781	38201	18601	27907	20987	7070	38927	52182	41375	26373	34113	37045	49740	63216	32425	60319	27853	6688	26067	19526	44803	36053	40674	42971	48765	37054	47546	37693	51208	28894	47444	40626	46658	19704	0	0	0	46526	45932	0	53898	39155	37120	47231	18792	0	28299	14034	13257	52847	32396	31218	53635	27072	19705	24760	14363	21751	25365	47098	11992	19217	19016	42430	42579	35119	23585	37254	0	27256	32588	17033	27214	23913	28456	23554	13419	15811	39873	24566	24350	63716	56005	60717	92187	29952	43100	0	41913	43245	9604	13058	13692	48300	27124	55256	25802	43293	13648	0	33369	26025	Peptide	0.3809524	1.2857143	0.14285715
10	C19 H31 O11 N1	450.197	450.19757	-0.18544737	450.1969	24791	22711	23127	9442	5638	10990	12473	26064	9053	21109	16650	16121	13805	3184	20944	23223	17587	12038	10730	21045	26400	18811	20071	29294	20303	7077	17126	6866	27779	25236	21107	29112	27956	25310	24423	31411	30412	18321	18909	19104	13870	12294	0	0	0	17029	11984	0	28037	23494	25028	19458	7479	0	18079	8558	6908	26156	13134	6190	0	7222	7474	9888	7349	0	8660	23453	0	12738	8945	21705	24631	32261	20447	23171	0	11052	20164	0	18881	12044	16793	11482	10159	13900	21245	8556	13702	23738	17329	18417	27574	10333	21688	0	21492	16218	5967	9231	9573	24002	15958	26689	0	11972	9622	0	17733	11612	Lipid	0.57894737	1.6315789	0.05263158
12	C19 H31 O11 N1	450.197	450.19757	-0.21493916	450.1969	16469	24359	25766	27909	10385	10312	29657	41885	17992	21896	10825	20462	21772	5886	26031	25913	30818	19758	24893	37931	35972	28152	39292	15985	28815	7501	13627	14598	42884	45715	40069	31875	22445	29084	34500	40106	28484	24821	13285	22555	14556	18934	0	0	0	21485	15568	0	25629	35936	21644	25341	9098	0	35061	17738	11873	30533	25866	0	0	21515	27490	20048	7157	11707	14462	32948	0	16268	14252	33718	34793	36167	21639	41165	0	33937	27492	0	28933	10749	24795	12118	17671	14615	20358	8172	19423	20281	19324	17118	35705	12988	16458	0	19429	16237	12495	12394	20917	20220	24208	0	0	18795	14381	0	26770	20318	Lipid	0.57894737	1.6315789	0.05263158
6	C23 H31 O8 N1	450.21225	450.21295	-0.1513658	450.2122	23882	24218	26318	22750	8850	11206	17806	28696	9316	37965	16349	15907	13829	4949	19861	29432	18960	12848	18615	40031	38367	37683	19705	33358	16746	16652	13506	17394	26742	24254	25067	26742	31845	22982	48147	24699	34373	15235	27119	27591	24778	10758	0	0	0	23974	17647	0	30021	27290	26502	25000	9397	0	13129	6484	6603	36050	8347	7070	31236	16654	12344	11902	6261	11629	11612	27031	15261	28853	27986	25106	22653	25894	17318	21611	0	16218	16885	9027	14425	8737	11949	15947	9235	10545	16293	11144	12397	28750	31174	24192	41906	20201	28662	0	24713	27260	5507	7623	10365	32607	13980	36283	8861	29102	7148	0	15271	13567	Lipid	0.3478261	1.3478261	0.04347826
14	C23 H31 O8 N1	450.21225	450.21283	-0.13444078	450.2122	113207	115982	101603	107308	63640	59445	85148	146247	62634	135257	94746	79783	81263	48463	96314	136830	124072	76489	96666	213376	194570	153069	95935	166049	103517	160380	75365	99666	105369	114967	110388	128703	115171	94732	188698	129361	119755	82068	128121	131260	124631	69609	0	0	219	132108	114811	0	122515	112762	114127	107511	58663	459	77321	56274	39527	137677	105902	106771	152928	94120	73115	66752	42131	70190	66019	112950	146821	196238	159763	97181	101530	125490	106781	107328	0	87433	99600	81465	89941	74234	93342	80031	72685	50900	93152	57823	73347	174259	133491	121973	182291	85946	123093	555	109340	121068	55565	56566	55064	135983	75003	165704	72433	100256	48948	0	87199	60266	Lipid	0.3478261	1.3478261	0.04347826
24	C23 H31 O8 N1	450.21225	450.21277	-0.14007445	450.2122	126326	116204	126060	0	152180	96128	40408	0	120790	277142	136800	56312	191858	77836	83296	0	63700	182154	187298	277172	269304	123082	108458	0	74456	289072	36184	108654	96526	76940	76306	0	98400	0	301620	0	132488	0	68820	169554	126656	64110	6372	0	0	153938	129970	0	96504	85544	131158	122000	90222	0	146996	132404	51168	109160	82536	45106	124244	122710	142448	118704	50132	154484	86004	62190	240698	416526	366628	113708	105394	79248	61828	0	0	72680	103310	77364	83424	74540	66148	113752	124724	72744	97270	0	81908	75986	100892	126424	0	82048	149534	0	108342	113036	82950	116202	110108	0	61620	117452	83802	92184	100866	0	75314	193492	Lipid	0.3478261	1.3478261	0.04347826
22	C23 H31 O8 N1	450.21225	450.2126	-0.09613412	450.2122	177250	175031	161487	173243	160442	132300	67919	180276	146833	348873	180591	92366	198689	101825	131091	164493	94633	213286	215993	396498	407725	186885	142063	199067	126844	378833	64063	172783	165483	145670	142424	151314	161926	158040	375576	154238	190092	102368	94791	236232	171000	112333	5135	0	460	216882	159046	0	151816	142098	176291	174708	129866	1235	199698	134648	89973	157203	125801	90285	181086	166454	188092	140680	68511	171192	123253	97591	324402	554093	391379	173564	153267	152295	96181	135291	545	115923	140330	81390	115947	112540	108572	145865	165565	104867	132902	100557	116068	125731	187983	201876	221526	111914	214461	0	159722	204305	122809	122976	117163	186869	91380	195553	136963	157467	129765	0	107735	206608	Lipid	0.3478261	1.3478261	0.04347826
4	C23 H31 O8 N1	450.21225	450.213	-0.14833197	450.2122	9432	11582	10573	10906	1985	6358	5641	17260	3330	8820	4194	6388	3967	2027	8184	13372	7712	6042	6639	11764	11545	14748	9130	17260	9851	4310	5160	3861	11900	10381	11485	11940	11105	9064	11984	11082	14311	5769	9458	7308	8758	3652	0	0	0	10593	7745	0	13865	11451	10291	7986	2471	0	3557	2705	2790	16807	3628	3763	15031	5467	3340	3530	1875	3561	4030	9981	3971	6577	6450	11230	8981	12208	6309	9172	0	9668	7287	5400	5902	3435	5388	4664	4166	2733	6164	3000	5343	12270	12307	8752	66396	4537	12486	0	9466	9249	1997	2853	3226	10387	6506	13470	3974	18321	1458	0	5772	4998	Lipid	0.3478261	1.3478261	0.04347826
12	C23 H31 O8 N1	450.21225	450.21283	-0.15045035	450.2122	68737	60090	59736	63670	28620	30210	59715	98533	36611	97352	50651	46383	37306	17353	51539	64390	69496	41336	56273	141315	128736	102069	68478	76907	57739	73752	38398	57432	75809	53675	56315	67760	81136	54940	134717	62670	72952	52379	72238	99888	69474	34664	456	0	0	89691	61976	0	68844	67417	63571	60829	36580	0	43319	27899	20103	75698	36647	43684	60548	58039	47360	32609	18822	44157	34944	78768	77886	113828	86069	53391	54898	68646	44852	56134	0	47202	53312	30057	46220	38871	39792	56658	38653	24357	58562	23733	38363	109466	74521	73636	102947	61392	59973	0	64220	63303	29752	24727	34733	66541	43686	68554	37223	62434	29213	0	50280	43225	Lipid	0.3478261	1.3478261	0.04347826
12	C22 H31 O7 N3	450.22348	450.22412	0.003191344	450.22348	8948	9669	11083	8869	6508	4478	9232	16644	4418	9532	3903	6564	5344	2558	11363	10195	9547	3397	7944	11802	13527	19823	11165	16299	13057	3897	7758	0	12785	12492	12839	8928	18301	14116	15772	13593	12984	11182	11481	14304	0	3464	0	0	0	11772	7562	0	15038	7888	9718	10943	5153	0	5543	1977	3766	15321	7275	0	0	6200	1770	6134	2211	5715	8110	13487	0	8062	2249	14366	12639	11057	7034	10115	0	11810	9372	0	7985	5273	10247	7701	2657	3139	11613	7087	6299	27651	36415	29024	27218	8719	8255	0	8452	7411	2605	1838	2667	13997	7002	14728	0	12698	3241	0	13928	3609	Peptide	0.3181818	1.4090909	0.13636364
6	C22 H31 O7 N3	450.22348	450.2242	-0.07951042	450.22345	13345	10467	9689	13703	3610	4706	9632	17074	6006	9720	4493	7000	8242	2276	12828	16157	8042	7289	9331	12336	12910	16847	12349	16757	14879	2723	8822	2891	13354	10309	12056	14690	16632	10953	13939	13402	17327	10133	9970	9583	7178	7310	0	0	0	11075	8722	0	15317	10845	11042	13868	5709	0	6469	6550	4212	17346	4801	3131	12295	7531	4615	6531	3126	7817	5566	12660	2432	7173	4332	10828	11168	12316	7561	8210	0	8679	9444	8377	7419	4856	6139	6597	2633	5274	10228	4807	6252	17537	22292	24213	30376	6802	12469	0	10734	12486	2804	7956	8263	17998	7150	17200	0	14513	2683	0	11142	5589	Peptide	0.3181818	1.4090909	0.13636364
8	C22 H31 O7 N3	450.22348	450.22412	-0.12638503	450.22342	16774	16972	11872	17504	5623	5516	11021	17493	6461	14643	7408	8994	9821	4129	13537	19482	8288	6569	14283	20501	16936	23119	12074	22578	17243	2938	10442	8190	18085	13589	16524	16482	22789	12647	20908	15988	19871	13520	13219	19662	9783	6441	0	0	0	15579	10085	0	22657	11536	15958	17281	7758	0	10079	7117	6266	24428	4462	4992	13139	9221	5787	7741	3717	5843	9422	15809	0	7410	2901	15161	16385	13776	11233	15124	0	12776	10771	7969	8490	4742	8722	10776	2919	3918	11942	7287	7700	23442	28037	38306	38710	10257	16882	0	19011	18322	3714	11485	11013	17736	7809	27552	0	14511	3960	0	13623	6854	Peptide	0.3181818	1.4090909	0.13636364
10	C22 H31 O7 N3	450.22348	450.22412	-0.10365293	450.22342	13117	13114	13125	12912	7282	5631	11795	22000	4570	14672	7191	8695	4521	3183	13391	15135	10518	5458	9186	18753	16493	25693	10354	22873	16666	2391	8049	7811	17253	14311	17926	19072	19975	16332	14328	15829	16335	10042	11973	21985	13734	9351	0	0	0	17080	10704	0	18551	13945	15067	14013	4535	0	5886	3177	3773	26517	6398	4211	22939	8595	5265	5341	4237	7117	7869	9858	0	9002	5993	14792	10697	13309	9570	14292	0	10730	12178	8398	8551	6619	7692	10959	3135	3895	8972	6427	5977	16491	37837	31963	32333	10877	18899	0	13452	12112	3072	4866	3867	15838	9461	18807	0	18441	2936	0	11685	4393	Peptide	0.3181818	1.4090909	0.13636364
24	C27 H31 O5 N1	450.2275	450.2279	-0.1899515	450.22742	3230	2644	1945	2632	1326	1662	0	3743	0	1872	6538	1606	2679	1886	2030	4952	3163	0	1652	4751	5073	3668	1499	5490	2428	24130	1089	8907	1826	2707	3094	1574	3440	2898	2756	2432	2502	2149	2426	3632	12138	0	0	0	0	4366	5902	0	2488	3346	3157	2547	1428	0	0	0	807	3048	2299	3029	4411	3372	0	909	1841	1465	5259	2689	17197	8516	14142	2807	2564	0	0	2977	0	1148	3072	4084	2357	3125	2412	6397	1950	0	4699	2509	3477	5795	2892	1948	6392	3681	2236	0	2377	1324	1143	2736	2803	3707	1326	4089	3497	5201	1936	0	3024	0	Phytochemical	0.18518518	1.1481482	0.037037037
10	C21 H31 O6 N5	450.2347	450.23465	-0.36933494	450.23456	0	5401	2238	2635	0	3754	3994	6805	1041	1949	1558	1622	1584	0	3780	0	1772	1196	3618	4118	3100	0	2605	0	2500	0	1653	11068	3298	4716	3000	2243	0	2394	5353	3493	6432	1947	2962	3051	0	2962	0	0	0	2408	0	0	5389	4231	3775	0	768	0	2802	1657	0	0	0	0	0	0	1495	0	1149	3743	1787	2826	0	2338	2474	2761	3153	2353	2885	2058	0	1809	2069	277203	0	1028	1445	0	1255	1412	3606	1322	0	6738	49664	8732	6272	11123	3470	0	2158	4358	0	0	1417	5008	1723	0	0	2120	827	0	2279	2035	Peptide	0.2857143	1.4761904	0.23809524
10	C24 H35 O7 N1	450.24863	450.24924	-0.14356987	450.24857	22191	22629	24998	19623	6467	8485	19546	31949	5276	27962	16769	15957	6820	4616	20707	24783	24710	8148	9500	38808	30758	27680	14422	26115	21696	16015	19380	15023	23929	29823	28744	31653	34668	23624	34601	33740	34225	15278	35951	23046	17838	9180	0	0	0	17031	19934	0	35578	23241	23667	21565	5830	0	7892	3923	5243	32571	0	4622	25475	8474	3769	7053	4918	9048	13485	36774	7857	26122	14873	26270	23871	28539	34583	28625	0	20069	12122	9304	12999	4578	5852	14465	3197	5940	18047	6487	12434	37254	41030	21841	44412	12451	20060	0	23375	19790	4458	2635	2416	33425	12757	38392	0	25682	3105	0	16229	6015	Lipid	0.29166666	1.4583334	0.041666668
26	C24 H35 O7 N1	450.24863	450.24918	-0.090065956	450.2486	34883	31392	34304	34964	54481	34219	12618	32222	37766	57133	40719	17521	57728	34764	23483	29152	14108	46134	57336	73994	69578	35285	23453	39154	22368	98090	10734	40092	32007	25962	28914	26421	36522	27053	70949	36303	43106	16262	23280	55041	40420	20965	0	0	0	42817	30169	0	28805	20422	36702	31209	36279	0	47837	45824	19030	27985	19811	13582	38095	31790	42179	28551	14564	37533	32558	18954	83068	102241	113833	32237	26021	28932	18738	26786	0	22332	31451	22842	24707	18852	24745	35228	37980	21989	31366	20461	24560	32181	33404	41437	40367	23004	34649	0	35788	42944	28670	35625	49537	34983	13315	29534	20410	26130	25979	0	19404	45512	Lipid	0.29166666	1.4583334	0.041666668
6	C24 H35 O7 N1	450.24863	450.24936	-0.104605846	450.2486	10229	10011	10997	11147	1058	2752	7103	19064	1666	9057	4276	8224	962	0	9591	13746	10357	2703	3451	13869	9875	10688	5703	15213	8027	3815	8399	0	14270	13805	15678	18795	16081	12403	11431	15281	13581	7885	16680	7604	7070	4178	0	0	0	8344	8263	0	16985	14190	9964	10165	2720	0	2269	1316	2068	14481	0	0	13863	3781	1143	2075	1950	1124	3886	16455	2417	8191	4513	11727	12480	15035	10952	9671	0	7382	7052	6429	5588	1860	3369	5093	1181	1790	7181	3081	3339	20519	14499	7000	21044	7027	12906	0	8932	7781	1162	893	1626	13560	7552	14224	0	10502	1084	0	9068	1676	Lipid	0.29166666	1.4583334	0.041666668
14	C24 H35 O7 N1	450.24863	450.24918	-0.17115435	450.24857	22988	26339	30001	26325	12000	11552	20373	45301	10691	22336	15575	27747	8556	5891	23020	38053	37674	7315	21885	41365	30829	22648	21931	32711	28841	25420	18757	15285	36504	38127	28611	33825	43082	24131	27455	41110	35469	24705	44723	29082	19082	13752	0	0	0	17477	18997	0	40327	35012	27294	23307	11164	0	8933	6567	9093	42383	0	17337	25821	11571	8258	8672	9617	12153	16338	45794	13532	26690	27316	25274	28489	39127	40273	33383	0	24709	23285	17066	18126	7544	13227	16204	10151	8878	24231	11483	13371	66784	40493	17969	49774	10641	20560	0	28617	26261	5466	9806	8818	40981	19282	35476	0	32356	8500	0	23071	7294	Lipid	0.29166666	1.4583334	0.041666668
28	C24 H35 O7 N1	450.24863	450.24918	-0.039849505	450.2486	7341	7123	5839	5664	8288	3051	4314	5617	6151	8098	5851	2979	9193	6332	3825	8562	4927	5165	8826	9229	11115	4503	3841	7460	3286	21769	3703	7756	6231	3593	4280	4172	7527	5928	9698	3872	6469	3308	7029	8223	9316	3707	0	0	0	5697	6204	0	2713	5427	5966	6546	5392	0	8142	5897	2555	6485	2346	2927	6486	3495	6930	4464	2818	8831	6234	6286	23186	27847	32937	4755	3158	4638	3528	4289	0	3518	5623	4190	3962	3066	3928	6064	8141	2995	11300	3585	4047	9856	6760	9214	10318	3789	4165	0	6051	7034	3799	8670	10049	5706	2221	5834	3091	6389	4703	0	3872	7633	Lipid	0.29166666	1.4583334	0.041666668
12	C24 H35 O7 N1	450.24863	450.2492	-0.12959465	450.24857	20450	18717	17486	18321	7102	7280	11959	36059	5808	24445	8539	18371	6328	4011	19481	22582	23817	5247	13447	37582	25932	19586	14640	21825	23068	16022	14104	13769	33267	28426	26643	26089	34948	24113	37493	28745	28171	16928	26897	27261	13710	9412	403	0	0	20285	13236	0	29244	20923	13352	19512	8006	0	6251	4133	7706	30350	0	0	25122	7040	5111	5484	5770	9532	12379	25760	0	27303	20433	21708	22900	27170	22070	26824	0	21632	13943	0	10015	5483	6424	12652	4438	5368	13813	5631	12084	44671	29275	15028	39193	8139	16866	0	23195	24330	4260	4826	5883	26859	15327	25150	0	25110	4049	0	12263	8551	Lipid	0.29166666	1.4583334	0.041666668
22	C21 H39 O9 N1	450.26974	450.26996	-0.4768399	450.26953	0	1436	1391	0	0	0	5312	0	0	0	0	0	0	0	0	0	1493	0	0	0	0	0	0	0	0	0	0	228126	0	0	1053	0	0	0	0	0	0	0	0	0	0	0	0	0	823	0	1292	0	0	0	1725	0	0	1556	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1096	0	1464	0	0	6530	0	0	3296	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5682	0	0	0	0	2992	0	0	0	0	0	Lipid	0.42857143	1.8571428	0.04761905
28	C25 H39 O6 N1	450.285	450.28546	-0.22237365	450.2849	7056	6307	6277	5816	33654	2282	3648	6293	3867	3196	6097	2095	6368	3629	0	7879	4652	58779	7538	5015	6618	3195	2440	8295	7003	15389	3789	9446	13387	5401	4745	89575	6237	3062	6522	5592	3655	2305	4466	10558	3626	2413	1273	0	0	3837	3240	0	6824	2350	5071	5401	5677	0	5862	11678	4205	5949	3539	3034	6108	4512	3438	4369	4102	7401	6486	5076	12479	7877	13876	2334	2784	5508	0	4410	0	2549	6953	235329	2407	1984	4595	5820	5412	4864	10918	1930	3847	8722	8183	10589	4577	37632	4906	0	7177	7949	3349	15049	15328	8890	1428	4824	5016	5496	3643	0	4932	2681	Lipid	0.24	1.56	0.04
20	C25 H39 O6 N1	450.285	450.28552	-0.17041259	450.28494	10011	12156	13200	10532	11956	6871	13860	16774	10154	5102	8950	13873	7374	8133	14618	26061	34333	8992	16847	15324	15528	7890	9743	17537	9845	23706	14982	13396	16442	18014	11097	21813	20830	17025	8466	23824	17743	11219	27679	8337	12443	11698	0	0	0	12076	9229	0	17999	16197	10839	12739	8497	0	8792	9349	9712	20106	7390	13307	16279	3756	7441	7152	6909	10449	7315	29740	17369	19592	23556	13100	16872	17915	30928	16431	0	9880	13305	12707	9358	6259	6440	0	14065	9426	17608	13974	12517	33968	18595	10597	18955	6440	11479	0	12532	17823	7767	8381	9825	29078	14871	20687	8792	13105	14572	0	10841	6781	Lipid	0.24	1.56	0.04
22	C24 H39 O5 N3	450.29623	450.29675	0.08348552	450.2963	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6801	0	0	0	0	0	0	1087	56782	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8351	0	0	0	0	0	0	0	0	0	0	0	6346	0	0	7128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21998	0	0	0	0	0	2108	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1124	0	Lipid	0.20833333	1.625	0.125
22	C26 H43 O5 N1	450.3214	450.32178	-0.17806695	450.32132	2974	3320	3929	3122	0	0	6181	28493	0	0	2677	19088	0	0	13240	23949	6102	0	0	0	0	0	0	4295	6269	0	7525	1545	13787	24283	13625	5946	2075	5027	1594	8651	0	12476	4554	0	0	0	0	0	0	0	0	0	29027	27159	1856	4674	0	0	0	0	0	14750	0	1020	18594	0	0	0	2008	0	1268	8969	0	0	0	11347	4710	3141	15098	11157	0	11678	1642	0	1673	0	1155	0	0	1673	0	0	0	2865	0	0	1805	0	0	0	3750	2458	0	0	0	1783	15356	0	0	3537	0	0	7167	0	Lipid	0.1923077	1.6538461	0.038461536
26	C26 H43 O5 N1	450.3214	450.32178	-0.19083571	450.32132	4494	5473	6509	5614	6064	3608	7854	0	3410	3013	7242	0	0	4249	0	8751	9542	0	4535	0	0	5114	0	0	10338	12336	7844	7658	9143	8902	4502	6222	9666	5602	2637	8799	7040	5212	9335	4924	5195	0	0	0	0	0	0	0	7612	8043	6814	3234	3294	0	4372	0	2911	10837	4966	5343	8856	3990	0	2670	3407	5120	7975	12057	9809	4021	5587	2815	5158	7493	8182	9748	0	3816	7468	13198	2839	0	5538	5304	7867	0	22700	3277	5384	18522	10459	13202	7397	12827	6921	0	6155	5584	3544	7565	10292	13404	0	15784	0	5174	5680	0	9077	2073	Lipid	0.1923077	1.6538461	0.038461536
16	C26 H43 O5 N1	450.3214	450.3219	0.12196999	450.32144	0	0	0	0	0	0	1793	0	0	0	0	2250	0	0	0	2778	0	0	0	0	0	0	0	0	1930	0	20787	0	2499	3711	2414	2940	2388	2609	0	5308	0	1121	0	0	0	0	0	0	0	0	0	0	4910	2086	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2353	1435	5057	3116	1506	0	1851	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1628	0	0	0	0	0	0	Lipid	0.1923077	1.6538461	0.038461536
14	C19 H14 O13	451.05072	451.0514	0.091769986	451.05075	3591	2721	1892	2140	14338	2976	0	0	17896	0	0	0	25990	1746	0	0	0	11168	14434	0	3706	5139	1906	0	0	0	1004	0	0	0	0	0	1368	0	0	0	0	0	0	0	0	2644	0	0	0	0	4188	0	0	0	5553	2739	6599	0	8836	18435	5904	0	0	0	0	1821	33728	14158	4498	13926	3464	0	0	0	0	0	0	0	0	0	0	0	1680	0	3834	1562	0	0	16726	2626	1624	3817	4124	0	0	0	0	14230	1655	0	3136	2799	15650	33402	24962	0	0	0	0	2716	14089	0	0	25705	Phytochemical	0.68421054	0.7368421	0.0
16	C19 H14 O13	451.05072	451.05136	0.07731959	451.05075	3977	4392	3316	4070	21720	3617	1106	0	23654	3691	2799	1541	42705	4481	1866	0	0	17271	13054	0	0	10468	2265	0	0	0	0	0	0	0	0	0	0	0	2872	0	0	1751	0	0	3260	2926	426	0	0	0	5795	530	0	0	4677	3028	10224	0	11141	24458	8144	0	0	0	0	2002	42659	21494	5774	27542	5458	0	0	0	0	0	0	0	0	0	0	991	6341	0	4563	3715	0	0	22167	4945	3874	3629	4698	0	0	0	0	11635	6164	0	9741	3521	13529	37627	30121	0	1504	0	3987	0	17180	0	0	38645	Phytochemical	0.68421054	0.7368421	0.0
24	C19 H14 O13	451.05072	451.05136	0.24970673	451.05084	2569	2575	2378	2126	8126	6361	0	0	12808	0	0	0	26234	6422	1404	0	0	21006	8832	0	0	4531	3110	1010	0	0	0	0	0	0	0	0	0	0	2177	0	0	0	0	1222	1962	0	0	0	0	1339	0	0	0	0	2221	2984	6964	0	13651	10604	3389	0	923	0	0	1227	21140	9898	1869	11180	2847	0	0	1568	0	0	0	0	0	1092	0	0	5577	2371	4522	1325	0	0	20039	4643	1215	1702	2307	2159	0	1653	2344	5270	3369	0	1741	2423	6450	13231	11241	0	0	0	0	0	8315	0	0	26329	Phytochemical	0.68421054	0.7368421	0.0
12	C19 H14 O13	451.05072	451.05157	0.16392572	451.05078	1553	3164	0	1438	6775	1607	0	0	11036	0	0	0	7069	1374	0	0	0	4337	3392	0	0	0	1358	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1309	0	0	1346	0	0	0	0	0	0	0	0	0	0	3479	0	5729	10608	2445	0	0	0	0	0	24988	8560	1618	13559	1753	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10594	917	0	2474	1526	0	0	0	0	5015	1285	0	0	1991	9853	16297	12239	0	0	0	0	0	5981	0	0	16178	Phytochemical	0.68421054	0.7368421	0.0
22	C19 H14 O13	451.05072	451.0514	0.1348471	451.05078	4019	0	2752	7545	12967	5719	0	0	15327	2190	1417	0	24046	0	1693	0	0	16362	6090	0	0	4049	3396	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2091	0	0	1597	2133	0	0	336	0	4074	0	0	0	2188	2950	7069	0	10948	11588	5117	0	0	0	0	0	27612	17107	4370	17501	2699	0	0	0	1823	0	0	0	0	0	378	1132	3456	4061	3438	3578	0	1378	22686	3971	0	2262	1088	1551	0	0	0	6364	0	0	3484	5553	10671	17438	15700	0	2145	0	1638	0	10039	0	0	24758	Phytochemical	0.68421054	0.7368421	0.0
18	C19 H14 O13	451.05072	451.0514	0.18039763	451.0508	9426	8622	10442	6232	48786	9442	0	0	42242	4728	0	4700	75124	19564	3114	0	0	27804	36802	0	7258	20165	6766	2432	3030	0	0	0	0	0	0	0	0	0	9126	0	0	3268	3278	3618	6216	4726	0	0	0	0	7766	1390	0	0	11298	14190	15820	0	32346	55962	13560	3098	0	4214	0	3530	81934	42484	14186	46540	9178	0	5342	0	0	0	0	0	0	0	0	0	15662	13864	9560	8280	0	0	55570	13068	4158	14600	11054	0	0	0	0	26560	9840	0	8192	9200	28012	53196	45070	0	3150	0	8758	0	41578	0	2972	71854	Phytochemical	0.68421054	0.7368421	0.0
28	C19 H14 O13	451.05072	451.05127	0.103208736	451.05075	3809	4389	2802	4583	11002	4961	0	0	9812	1809	1021	1920	25971	5908	2264	0	0	14607	11881	0	0	3609	2522	0	0	0	0	0	0	0	0	0	1559	0	2077	0	1038	1204	0	1189	2456	0	0	0	0	0	0	0	0	0	4669	2511	6671	0	15149	9708	2182	0	0	0	0	0	26385	10928	4004	14459	2961	0	0	0	0	0	0	0	0	0	0	0	4394	2395	5339	1551	0	0	16923	4562	2795	2447	3205	0	0	1353	0	5136	2888	0	4236	3983	6821	10318	12464	0	0	0	0	958	11365	0	1237	23135	Phytochemical	0.68421054	0.7368421	0.0
26	C19 H14 O13	451.05072	451.0513	0.07871187	451.05075	0	4155	3465	3145	9019	6931	0	0	10488	0	0	0	23899	5503	0	0	0	10687	7487	0	0	4280	0	0	0	0	0	0	0	0	0	0	0	0	2411	0	0	0	0	0	2208	0	0	0	0	0	0	0	0	0	2587	2362	4441	0	14196	8999	3023	0	0	0	0	0	22599	12952	0	13957	0	0	0	0	2263	0	0	0	0	0	0	0	4261	0	4126	0	0	0	13138	0	4448	0	0	0	0	0	0	4974	5501	0	1969	0	4797	8732	11732	0	0	0	0	0	6616	0	0	21341	Phytochemical	0.68421054	0.7368421	0.0
8	C20 H18 O12	451.0871	451.08786	-0.006902078	451.0871	11917	12121	10116	12066	18429	9141	2321	2714	27659	18492	18326	4982	33581	6744	3389	6120	4812	14836	20253	11561	24510	16202	7706	4731	650	1433	4409	3153	1993	2678	2075	3457	4523	1620	26728	1318	2633	5467	6234	4796	15493	9114	0	0	0	5686	17200	0	1487	2614	12721	13111	9987	0	18622	24730	9725	3385	2105	5910	0	6179	48560	25052	11822	19833	9041	6524	7913	4086	11870	3329	2507	1503	2807	2556	0	2859	11655	8915	8455	6900	654	2144	30969	7503	7785	9098	8193	9282	0	0	3385	22443	14197	0	12146	9737	32988	40949	34059	2769	5787	1976	6933	3332	23324	0	3230	35279	Phytochemical	0.6	0.9	0.0
26	C20 H18 O12	451.0871	451.08768	0.11222776	451.08716	4786	5647	4988	4792	11357	7100	0	0	13944	6631	2006	0	28264	3820	0	0	0	19082	9695	5581	0	8987	0	0	0	0	0	0	0	0	0	0	1923	0	5507	0	3419	0	0	2711	0	0	0	0	0	9253	15996	0	0	0	4432	4123	5803	0	15260	9529	0	1819	0	0	0	4010	22370	11164	0	11734	2677	0	0	3452	2249	0	0	0	0	0	0	0	4350	0	5214	9432	0	0	14169	0	3188	0	0	0	0	2710	0	8038	10954	0	6764	0	5212	8709	11856	0	0	0	8610	0	8866	0	0	25597	Phytochemical	0.6	0.9	0.0
24	C20 H18 O12	451.0871	451.08765	0.14077717	451.08716	6848	6186	8650	8060	18965	9489	1872	0	17770	10182	3764	2421	36474	6981	3188	2026	1315	19377	16645	7300	9681	11924	4559	0	1746	0	0	1240	0	0	1129	1455	2118	1363	12060	0	1834	3722	1223	6351	4842	2545	0	0	0	11636	17052	0	978	0	7127	8472	9754	0	23046	20145	8587	2556	1965	1850	0	6329	36389	19226	3592	15051	3187	0	0	5208	5133	0	0	0	1273	0	0	1951	6844	8023	7439	12842	0	2967	18523	9806	3560	3062	3038	0	3415	5934	2278	13020	16561	0	7771	8504	12582	14649	10629	1305	2177	1453	13360	0	13361	0	1902	35143	Phytochemical	0.6	0.9	0.0
12	C20 H18 O12	451.0871	451.08777	-0.024418067	451.0871	57369	64149	55217	54104	88164	45280	18907	12055	105771	85860	99123	25407	124502	26703	23384	23762	19149	91053	89170	64477	94358	141703	38330	24467	7441	5947	11571	20621	11695	9436	14187	16674	26199	12451	113938	13412	25437	28990	21250	37626	78896	34072	1851	0	0	64460	161914	0	17330	16223	57994	61236	49713	0	95571	85335	42496	21283	19600	23500	18735	50761	184474	97650	37453	103640	37424	17828	33203	17737	37609	13120	12299	9288	18309	13625	0	16750	45901	90104	42599	64573	7510	9718	98413	39144	47985	37180	38541	35011	11280	25316	28809	125731	87796	0	61132	62117	105968	107025	106086	30377	24327	15228	115866	27371	81159	0	10953	160385	Phytochemical	0.6	0.9	0.0
14	C20 H18 O12	451.0871	451.08777	-0.00953157	451.0871	80631	79039	75704	77370	118711	67713	20641	19378	146025	103067	93009	27045	208501	50382	39968	25365	23663	150232	123787	76347	115393	173979	48598	32989	9968	8707	20219	30937	17791	14341	20791	19041	40987	15125	159024	11837	35972	33060	22727	55064	85234	47412	0	0	262	85862	184640	499	20415	16021	78171	69503	69706	463	138088	114560	54753	37919	29214	37471	28650	70517	245654	143878	54851	156669	56773	27036	39221	19228	51534	23698	15797	8052	17499	21353	246	30296	60607	115571	54734	100153	15096	19935	135182	60957	56444	51264	54339	37357	20073	29759	40487	197317	109376	0	72669	58052	118028	137409	136462	35021	32276	29998	137640	32816	102861	0	14648	214878	Phytochemical	0.6	0.9	0.0
10	C20 H18 O12	451.0871	451.08777	0.001640933	451.0871	36064	33520	29326	28383	52528	22972	7706	5006	66076	47613	41766	14486	77576	18408	8364	13901	10289	56187	53185	28843	49815	68671	19328	13023	3243	2863	11497	9148	5975	8298	7194	9271	15448	7139	69080	5920	13343	15556	14973	27404	50260	18421	995	0	0	28371	75384	0	6395	6013	26232	32786	33117	0	58104	57737	24090	11659	6640	17415	11597	22187	101491	55540	28185	64318	21849	19594	20943	9935	32672	7631	8275	5149	28042	5321	0	7770	41053	30308	24544	30660	4249	4445	71023	27124	23531	23303	22127	20757	4047	10010	16316	72696	58181	0	34168	31045	60603	77977	63246	13889	10559	10507	37506	13254	53266	0	7418	96063	Phytochemical	0.6	0.9	0.0
22	C20 H18 O12	451.0871	451.08774	0.106546186	451.08716	14925	13916	7578	13809	29688	19064	2008	2022	32273	18722	7658	3332	59795	12398	6200	3372	1578	38030	23743	13959	12518	28749	9308	3901	2628	2574	2238	4321	0	1185	3810	0	4685	0	21746	0	6477	6769	0	11116	8234	4761	0	0	355	25469	34512	0	2959	1434	13917	14688	17312	503	40237	27639	11857	1509	3745	3156	3575	12670	58412	28760	10208	37220	12079	0	5301	4732	6408	3081	2064	1237	1140	1285	743	3695	8856	16323	11806	23791	0	4974	43778	13439	11000	7652	6766	0	5212	7899	4320	25384	26214	0	11794	15087	18891	33686	25148	2682	3201	2187	26837	4584	21933	0	3057	68982	Phytochemical	0.6	0.9	0.0
20	C20 H18 O12	451.0871	451.0877	0.06660889	451.08713	24942	26261	23352	25884	57423	39637	6382	8053	64466	35357	16116	7525	110395	31268	15660	7439	3980	70970	51492	22414	28230	49805	15368	7911	8372	13194	5950	8886	4413	3448	3681	3567	11151	5708	43605	4904	10927	9849	2508	17361	14698	13739	1336	0	0	33170	60115	1492	5208	4984	22713	28734	39318	387	62920	54806	25573	10659	11084	8153	7438	26221	104472	56436	16707	68255	24229	3606	11390	13309	13762	3476	3592	3716	2394	2554	923	7416	24007	34345	19853	49451	3868	0	62991	30797	21311	13976	16112	5835	6750	15925	8227	56803	36124	0	24544	31001	41188	65099	59534	8973	9278	6033	49697	7414	49617	779	7863	118644	Phytochemical	0.6	0.9	0.0
26	C11 H22 O13 N4 S1	451.0977	451.09787	-0.28457206	451.09756	0	0	0	2050	0	2358	0	0	2296	0	0	8754	4104	0	18513	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5333	0	10479	0	0	0	6287	2828	0	0	0	0	0	0	0	0	0	0	2751	0	2377	0	0	0	0	0	0	4084	0	0	0	0	2069	3322	0	1949	0	0	0	0	0	0	0	0	0	0	0	49822	0	0	0	0	0	0	0	0	0	0	3122	0	0	0	0	0	0	0	0	0	0	0	0	0	30084	0	0	3406	0	0	0	4690	Organosulfur	1.1818181	2.0	0.36363637
12	C19 H18 O11 N2	451.09833	451.09903	0.026721966	451.09836	19217	15660	20022	14865	21226	9162	2903	3725	29215	20546	18809	9427	38066	4795	6642	7708	12846	21279	24928	16563	37864	62445	12353	7353	2128	1531	0	0	1937	4408	2590	4270	10841	3948	37502	3568	9047	7850	6231	23391	57534	7641	0	0	0	34742	85363	0	5360	6254	12892	12237	12640	0	31691	26130	7800	6184	8388	10729	0	31014	61416	30243	9660	28269	12007	13130	0	5343	13255	3970	4120	1681	4692	4178	0	5745	8015	24463	6599	31329	2501	5446	23785	11521	7810	9269	13125	17766	3222	8310	13862	43826	19422	0	20958	21364	19115	22921	20578	7175	8842	7094	54036	8128	20022	0	5109	51639	Phytochemical	0.57894737	0.94736844	0.10526316
16	C19 H18 O11 N2	451.09833	451.099	0.08381285	451.0984	8655	11715	12888	9708	12609	7921	2435	3122	20131	11669	8856	5635	32934	4129	5373	4063	3349	19792	14350	8301	19460	31877	8042	3175	2161	2282	2990	4243	2407	1907	5855	3953	5431	2448	21680	2381	4117	2660	4695	17978	22053	5524	0	0	0	25583	58351	0	2999	1651	11597	10642	11105	0	16228	15850	7167	2628	5533	4557	0	15649	33106	18566	4810	19042	6231	4531	5822	2346	6383	1770	2770	0	4850	1236	0	2990	9198	18793	4540	27167	1232	5594	22520	9185	9324	8376	5268	0	3563	6971	0	32277	23898	0	7556	11578	8138	13684	14777	6557	3291	6113	30958	0	13652	0	1878	31572	Phytochemical	0.57894737	0.94736844	0.10526316
18	C19 H18 O11 N2	451.09833	451.099	0.06041334	451.09836	8990	8433	8678	7413	10591	3476	1666	1552	11282	7744	4448	2767	22065	3015	2315	3595	3211	8716	11668	7174	11483	18792	5470	2950	1925	0	0	2386	0	2191	2973	3039	2489	0	8996	0	2074	2757	3828	7291	15999	4133	0	0	0	16166	28935	0	2398	0	7752	3312	5126	0	13619	10266	3466	2600	2398	2311	2204	12004	23606	11463	3094	7619	2918	3950	3970	3098	2749	2000	1208	0	4282	0	0	2711	7050	10434	2288	14877	0	2019	12369	5329	4693	4700	6957	6238	0	4607	7954	13430	17215	0	3069	10711	6790	9248	6714	4218	1813	2906	18242	3915	5806	0	2119	21440	Phytochemical	0.57894737	0.94736844	0.10526316
14	C19 H18 O11 N2	451.09833	451.099	0.004344925	451.09833	18153	14528	14458	18442	21393	12789	3557	6543	30192	24017	18883	9625	43460	7170	7909	4844	8641	26096	29501	14569	29103	43729	13250	6869	2339	2716	3073	0	2568	2274	5030	0	10545	3977	35190	3461	8165	9206	12767	20121	48462	9562	0	0	0	47926	127896	0	4213	2436	11928	17339	12981	0	30847	18110	8121	7357	0	10273	0	29089	48558	26560	8230	31619	10154	14312	14531	2691	10254	5595	3937	1878	7202	2246	0	8542	7798	24163	7396	46211	2322	6864	27724	8338	8862	11473	13565	19494	2931	8879	19258	49395	30254	0	21665	15512	14523	25742	26340	7198	7468	7072	78822	11985	11893	0	2795	39551	Phytochemical	0.57894737	0.94736844	0.10526316
10	C19 H18 O11 N2	451.09833	451.09906	0.047950327	451.09836	14624	16045	11219	13304	18561	6329	2119	4477	20928	12883	16022	6419	29747	3681	5569	4506	5649	17986	20436	13464	28960	34504	8735	6745	0	0	2739	0	2590	4953	2118	3625	8056	2804	26298	2257	6335	5518	4401	16698	35607	8404	0	0	0	20155	60231	0	3471	4081	11719	12804	12108	0	23161	17663	6802	6431	4183	7879	0	22043	42032	23222	8018	17791	9879	7942	0	0	8359	6139	2686	2917	4949	4215	0	4053	8521	12645	6554	19783	1111	3242	23664	6964	6414	10230	9184	15517	0	5673	11240	32888	20607	0	11478	13510	15517	24732	21609	8715	6253	3944	43334	8078	12098	0	956	36895	Phytochemical	0.57894737	0.94736844	0.10526316
8	C19 H18 O11 N2	451.09833	451.09912	0.042077087	451.09836	6281	7957	4949	6779	8293	3347	1487	2399	12539	5358	7987	3338	20358	2680	1883	1857	2775	8408	8931	4912	11843	13796	4548	1851	0	737	2028	0	933	1502	2153	2416	3839	1428	13894	1598	2218	2602	2517	8781	18336	3355	0	0	0	7992	27927	0	1789	1778	7301	7377	5274	0	13773	11096	5283	1839	3079	3431	0	6234	31561	16068	3965	10367	5529	4812	0	0	4032	2827	1064	1452	4391	2335	0	1949	3708	0	2705	7652	1073	0	12976	0	2351	6862	5999	5189	0	0	4401	15106	10045	0	5970	7211	10119	13233	13825	3480	2523	2677	12624	3423	7214	0	977	23110	Phytochemical	0.57894737	0.94736844	0.10526316
16	C24 H18 O9	451.10236	451.103	0.02651518	451.10236	7202	8955	5698	5238	7856	4273	0	0	9152	33341	22164	1616	6161	5672	2680	3602	0	5754	10967	16086	20940	15831	4302	3596	3798	27135	2222	12332	0	2294	0	0	4234	0	49645	0	1952	2290	3056	10084	12551	1637	0	0	0	10791	16308	0	2981	0	5369	6168	4542	0	6326	5327	4168	4787	1654	4159	0	8342	13773	5232	4807	6068	5220	2414	28878	38910	46582	1500	1611	0	2332	2074	0	2514	6992	18043	3168	10687	1781	10230	7056	4123	8311	2367	2137	0	5987	8256	0	18938	24980	0	8458	10214	7712	9141	6681	3125	0	3698	6135	0	6514	0	2607	11957	Phytochemical	0.375	0.75	0.0
24	C24 H18 O9	451.10236	451.10287	0.07169996	451.1024	10631	9599	10097	10084	11650	5125	3267	1637	12793	34305	19972	15342	10623	7798	148906	2506	109116	13416	15859	16975	20438	22521	8081	3122	4649	37919	2505	8740	0	4480	2193	1250	3604	1127	37219	2312	3501	77501	99945	12687	14435	3744	0	0	0	14746	19580	0	1466	4741	11793	9115	7091	0	9523	11107	6981	2658	2876	3469	3958	10854	18312	12583	8527	13340	8083	108496	32830	34265	49072	0	968	0	10835	0	0	3982	10069	16730	7229	13618	3322	11298	16101	9687	13980	5308	5223	5543	7037	3502	4238	29799	28756	0	9902	7852	12384	15409	10870	0	6779	3538	10475	2908	10995	0	4165	14271	Phytochemical	0.375	0.75	0.0
18	C24 H18 O9	451.10236	451.10287	-0.09716387	451.10233	15144	15256	16900	14970	18459	6466	5615	2735	17615	66627	51773	2549	9619	9670	4221	4306	2056	19015	25069	38895	35390	30135	5814	4166	4223	59326	2593	26823	0	1580	2525	0	1883	0	73746	0	3286	3156	3468	25375	26230	3633	580	0	0	16959	20891	0	2668	3410	15058	15667	15762	0	14696	16110	10753	3815	3647	5788	2887	16512	21431	10860	9920	16226	10283	2924	48351	55017	87485	1585	1517	0	2145	6954	0	2591	13420	23362	8106	21261	5350	15538	17094	9153	13865	8249	6781	5483	9332	10405	6450	36568	40626	0	17527	15369	18365	15857	18115	3159	2080	5681	14665	1998	10961	0	5156	17556	Phytochemical	0.375	0.75	0.0
26	C24 H18 O9	451.10236	451.1028	-0.10289193	451.10233	4770	4922	3732	5438	7236	4494	0	0	7762	20500	6712	0	8812	5352	25924	0	8786	5761	6531	9086	11239	14541	0	0	0	17536	0	4379	0	0	0	0	0	0	19096	0	0	18728	8332	6336	8265	0	0	0	0	0	7693	0	0	0	4005	6762	4818	0	9279	0	0	2032	0	0	0	3463	10489	6495	2699	9335	0	5071	18907	24332	31750	0	0	0	0	0	0	0	5884	10860	6562	4402	0	3420	8750	0	3511	3958	0	1968	2118	4123	0	19233	21183	0	4569	0	6430	7306	9805	0	0	0	0	0	6253	0	0	10590	Phytochemical	0.375	0.75	0.0
20	C24 H18 O9	451.10236	451.1029	4.45E-5	451.10236	22633	24380	25524	23495	21093	12624	3257	2477	26245	77217	56026	3914	25627	12250	6649	6210	4512	27247	23762	47327	41621	43698	5424	4391	5048	64051	5725	33119	1414	1723	2755	2227	5743	1567	94864	0	3696	6521	4728	29426	28711	7937	493	0	0	30982	41337	0	2659	2742	22857	23049	15404	0	22083	15389	11356	5031	6752	5443	7131	24116	30965	17523	13923	20880	15017	3762	66256	81756	95133	2113	2393	0	1611	2404	0	4989	16705	33295	10333	26555	6260	25846	24673	14677	13762	9798	10775	12050	13176	18742	13043	46759	55661	0	23472	18345	25664	20211	18470	5638	3124	7907	25682	8601	20893	0	6947	26703	Phytochemical	0.375	0.75	0.0
20	C21 H22 O9 S1	451.10574	451.10635	0.30309594	451.10587	17099	11971	25198	27006	27648	24120	2612	4274	36894	58981	46796	2451	33238	7904	4985	2267	2207	16181	33884	42804	51722	93284	4200	4593	5754	48046	3177	36266	2956	3026	2619	2194	2813	2200	69564	0	4586	3111	2782	26799	58148	5402	0	0	0	39746	46110	0	2026	2081	31570	22378	16926	0	14243	11502	12282	2449	15232	6118	2846	41972	13810	22068	6338	31068	14030	2723	48218	43358	61648	0	1657	0	2295	1552	0	2018	6388	51894	3773	25042	4694	22686	31316	4229	14888	6937	14618	5629	19385	53332	9278	67510	44642	0	34112	9319	14304	26088	21822	4094	2640	16540	32186	5402	23818	0	3402	19187	Organosulfur	0.42857143	1.0476191	0.0
12	C25 H22 O6 S1	451.12097	451.12134	-0.37336972	451.12082	0	5887	3080	2465	6324	5064	0	4181	6303	5492	4448	5113	10120	3823	6780	4254	2007	6936	3946	9182	10960	14225	5460	0	1157	2996	2604	0	5925	2065	3506	1863	0	4177	13693	2477	6658	4788	7906	11760	7017	1780	0	0	0	5832	7774	0	3702	1796	4136	3611	6205	0	8510	4537	6510	2155	5514	0	0	16976	9423	8094	5446	5534	5532	4770	0	11472	12680	2327	3080	1681	20544	4157	0	5959	4501	0	6595	7016	6378	11712	3738	4417	6685	4129	5959	10722	7829	11075	8650	8088	9790	0	4736	0	3286	6511	2468	0	2255	3301	0	3740	7602	0	5226	9679	Organosulfur	0.24	0.88	0.0
26	C21 H22 O11	451.12347	451.12402	0.09117316	451.12354	7718	8092	10928	8983	13103	7961	1609	0	15821	23035	5505	0	23046	5486	0	0	0	14671	12254	16247	21965	13657	0	0	0	8314	0	5329	0	0	2516	0	3725	0	25063	0	3093	3306	4458	9306	8811	0	0	0	0	19464	22599	0	2371	0	11512	9247	8855	0	13366	10224	5819	6267	3211	0	4493	6983	22783	14682	3669	14641	3599	2228	0	13834	11182	0	2514	0	0	0	0	3250	7095	7505	9415	10963	0	6259	14763	9898	5519	3630	4291	2825	4326	5625	6034	10622	16600	0	7403	8825	7642	11995	7223	0	3311	0	14102	3106	5576	0	3067	23939	Phytochemical	0.52380955	1.0476191	0.0
10	C21 H22 O11	451.12347	451.12415	-0.012652105	451.12347	404339	405220	337184	172430	289871	103774	97796	140202	366576	892228	580907	117406	407102	88606	106368	151587	117048	372787	418791	605672	665367	530682	141716	157753	55178	124990	107475	150580	98336	106713	89982	125814	151445	117875	1114369	108481	141770	112419	136554	455621	629422	86366	3730	0	0	503105	792818	0	119444	112662	397498	372767	107944	0	394011	269798	82122	135310	122331	148911	164816	335621	460967	360741	83585	311739	113721	155226	232132	207525	605993	130404	107319	86598	148212	119793	0	95705	181129	160074	150871	443458	85784	114956	369987	101128	151980	81942	102620	134227	92553	112029	135338	508757	570469	0	181719	171377	182815	332453	290435	131905	89067	140742	267864	105922	318239	0	91730	511338	Phytochemical	0.52380955	1.0476191	0.0
16	C21 H22 O11	451.12347	451.1241	0.013326351	451.1235	596529	629930	607134	606271	622475	482683	255628	390795	755564	2778488	616916	272181	1926804	291878	380186	355690	229666	892561	853402	1020200	1052520	1884306	438831	408863	263822	391074	204993	416202	359772	277908	389393	436356	449499	313552	3417874	311165	468832	333096	268594	1717512	1176692	273808	16754	2276	1770	2146678	2389902	2796	405760	344358	606415	580998	473831	2614	796029	453874	279548	393648	434945	270074	425226	1259308	1004026	633992	260097	678384	406673	244908	515070	757157	710553	436128	358533	321075	229927	322189	1966	296606	468075	491426	382853	1944021	287616	457205	604910	362090	351330	278554	326342	254748	340025	544197	457438	1391451	1719637	5037	585399	580190	580737	478375	416718	353020	267234	362593	828708	386440	483039	1660	272521	2018613	Phytochemical	0.52380955	1.0476191	0.0
12	C21 H22 O11	451.12347	451.12415	-0.003106329	451.12347	227115	232849	216937	228419	321118	116622	115191	138769	415168	976910	299798	107559	391982	77451	111924	142161	118418	403130	438632	758254	752934	386527	136703	161373	60516	135555	111278	176614	98371	107716	126914	123815	150260	123554	1185226	113081	131452	135203	126643	544066	698760	90992	4179	0	442	640122	1064988	539	135629	127554	436294	218237	120863	342	446040	259494	94651	134895	143985	155412	172248	415310	571144	347172	76514	387750	101093	123448	247615	225444	570928	130026	115952	113964	101426	133813	0	103743	159835	225898	147766	554330	100225	284782	345656	95576	138591	83429	96607	137966	103417	152365	144616	576044	580208	896	474126	221249	215367	290342	272922	149378	100915	150686	348719	121505	317402	381	82805	535760	Phytochemical	0.52380955	1.0476191	0.0
24	C21 H22 O11	451.12347	451.12408	0.09963215	451.12354	14113	17024	17987	20022	19812	15141	3330	7048	27910	38548	10408	5137	38219	11135	9665	6260	4127	26183	24305	25494	26592	19829	16326	7334	7023	15856	4270	7006	5324	7235	7073	5713	6972	5604	37649	3245	7570	7206	4681	20312	12700	4341	0	0	0	34853	41720	0	7747	5181	13839	14166	19014	0	30921	20929	7072	5274	8152	5399	6771	15820	40791	19325	7285	24812	9265	4378	13228	25260	19286	9195	5118	3450	6560	4234	0	6567	12597	16004	15013	26837	5503	11315	26490	12083	9476	7685	7653	2316	9389	12897	6877	19761	28150	0	15312	15901	15605	18611	17689	6510	5388	7297	27000	5279	21517	0	6567	41666	Phytochemical	0.52380955	1.0476191	0.0
18	C21 H22 O11	451.12347	451.12405	-0.023096163	451.12347	217646	198814	211695	182749	231834	194024	83214	143585	245130	452783	176610	85093	404839	124780	136660	103272	58898	324000	292046	359248	327422	320275	149536	125787	96417	131904	71261	131255	111496	100837	127464	125012	155274	122451	512414	101469	160625	120762	68083	290445	168085	102056	6884	838	706	403731	736664	1049	127921	104889	209379	216492	165211	921	323280	193591	108450	125852	143442	67978	109413	213254	373470	233810	91724	236086	145621	68895	158529	249923	233793	129934	110474	99302	55778	117575	1100	102814	155523	150593	135435	346032	87564	140434	220273	132346	137366	97438	113479	68792	125683	175868	144267	205784	280618	1492	216021	188706	213592	173547	160132	108415	82891	119799	267409	112186	156269	779	83356	370276	Phytochemical	0.52380955	1.0476191	0.0
10	C20 H22 O10 N2	451.13474	451.13538	-0.051595703	451.1347	110237	112282	106726	107293	59865	50203	58053	104162	81829	190834	110859	75831	116844	31577	69720	95632	83792	96653	108396	156462	194031	213143	83264	96933	36716	25965	60086	51508	80214	85153	83768	90378	110510	80571	232137	80390	113697	66740	99002	179650	222222	58757	1579	0	0	216112	318749	0	97580	88822	107101	119529	64573	0	108254	62741	47054	98102	93156	96858	88767	135931	131405	108272	45483	93337	67150	105647	68350	62694	92373	83998	83183	73401	72361	74657	0	62192	76399	99350	70749	161726	51421	66240	79665	41952	74927	62724	61753	110024	62508	96828	130438	142309	164275	0	108604	118265	59991	70107	59615	100878	61946	119350	208567	102911	61630	0	59953	139732	Phytochemical	0.5	1.1	0.1
16	C20 H22 O10 N2	451.13474	451.1353	-0.07018983	451.1347	61096	71868	60582	66449	52308	47214	36740	59336	70780	109755	45005	32320	91418	26525	55681	55117	34585	80040	85758	81459	93693	113373	46247	61219	38626	12672	31644	28697	40575	40387	49182	46908	71070	47993	125831	47092	66191	50242	47327	95712	82654	37369	1776	0	0	115236	123259	0	47015	45999	56441	57569	52120	0	77100	46043	31046	59186	58125	36743	52158	71963	87341	59301	25163	61128	42994	43730	29786	32955	31942	48618	47115	40893	31890	37727	0	38083	52654	61699	42260	86487	34846	48883	50501	31737	49870	40299	41670	60781	48689	69532	104090	78037	84406	0	63772	63073	36413	39847	42509	53466	41035	52827	88382	62287	44814	0	43757	100248	Phytochemical	0.5	1.1	0.1
18	C20 H22 O10 N2	451.13474	451.1353	-1.72857E-4	451.13474	32198	27308	26650	23814	27476	21527	16247	25580	24839	49981	19504	16395	43208	10891	22540	22640	12005	37098	24482	28369	37977	50274	24450	25665	23579	7847	13360	13016	20150	13402	23588	21803	27607	18358	57049	17709	29302	18006	16772	43101	35318	17351	820	0	0	55240	56431	0	21944	18092	27736	25777	26587	0	52524	18099	11741	30584	23280	13696	23847	36551	37421	25033	13307	35746	18756	17269	8224	15017	16517	17778	15344	16405	17963	19471	0	17679	29154	26977	23895	42135	12285	18445	24229	19968	22344	16689	16932	28447	24851	31854	45035	35770	35233	0	35273	31574	18278	16769	21742	23481	13440	17563	37066	21576	18298	0	23539	51859	Phytochemical	0.5	1.1	0.1
14	C20 H22 O10 N2	451.13474	451.1353	-0.08049539	451.13467	106313	106314	95305	106622	66184	61721	58150	96542	91792	181725	91811	57833	117706	37154	77959	84185	72023	119952	114114	141436	167759	225590	82286	107180	61006	32919	50817	59584	71218	68095	68629	88832	110548	70979	230242	75502	97825	72170	75413	151955	144164	56858	0	0	0	178673	217930	0	77640	81024	99411	97441	63619	0	126091	63090	47470	91047	120570	70780	98975	143453	133942	103440	42777	91085	68580	65355	53896	68162	64787	81205	61626	62563	62552	72829	0	65248	83213	112652	63641	143092	50617	72426	71644	50546	77898	59130	69314	112843	73378	104530	155489	124538	132783	530	108911	97856	52461	65251	68478	100042	54194	97503	225433	96874	54314	0	60438	129419	Phytochemical	0.5	1.1	0.1
6	C20 H22 O10 N2	451.13474	451.13547	-0.0840551	451.13467	25631	30525	27825	26595	17221	11036	11451	22641	26559	42309	31698	18070	37023	9278	14626	25613	24037	26483	28394	27262	55625	45430	17587	27592	5232	4762	9634	11281	16065	16412	19974	21701	27082	18530	51459	19005	27868	13431	32502	30506	62643	16085	0	0	0	34272	72347	0	20884	20451	28095	29364	17727	0	28567	20808	15159	23052	15887	24793	26248	27390	44856	30439	10939	28221	21153	35812	13484	11340	19414	18304	17811	14979	11925	15590	0	12872	16422	14374	14031	21334	10049	12205	24858	14360	16431	23086	17768	33955	11117	19779	33935	37649	33472	0	28949	29163	16886	22988	26205	24430	13629	28783	54352	24599	19194	0	10504	44154	Phytochemical	0.5	1.1	0.1
12	C20 H22 O10 N2	451.13474	451.13535	-0.06621086	451.1347	117808	123148	119671	132163	81335	64201	85208	122918	99637	197661	115447	72527	113553	35535	86744	96192	106177	123212	130875	182251	224344	290783	109660	113885	53617	31632	59893	68741	89966	80393	100052	97564	126004	83541	291282	85796	123237	87461	102663	218453	243511	67428	1432	0	0	247644	317542	0	96108	92999	124909	110695	67508	0	131803	69301	50405	108035	129984	102796	108641	181655	164611	106919	46353	112055	67879	114640	73535	85978	95897	93152	93027	85320	71655	83091	0	90497	92397	143338	76053	185315	65201	82296	74092	56097	82606	60526	77679	149597	73437	131258	156516	183466	141280	0	130346	140807	68970	67433	59525	112350	76705	103670	241668	111852	72090	0	64740	165830	Phytochemical	0.5	1.1	0.1
24	C25 H22 O8	451.13873	451.13925	-0.053100735	451.13873	19031	22450	19650	18270	24440	10528	4732	4682	21209	56353	54029	4270	23649	13141	4903	4862	4273	17574	23536	35775	43722	27673	9876	5658	6472	93730	4389	35286	4323	3101	3114	3690	4672	4385	66426	3254	8877	3741	5059	33686	36127	6370	0	0	0	30383	34540	0	3761	4109	20503	21925	16093	0	23061	19158	9888	4797	7242	5520	7913	26631	24939	22880	8087	21441	14405	5805	92886	85109	122750	1943	2553	0	2564	2902	0	5289	16225	25564	16253	25915	4144	30329	28211	15668	12681	7841	8531	7713	11500	11573	7411	39024	38283	0	18388	21257	23901	23611	19290	6470	3209	9275	19258	7618	18776	0	5353	21812	Phytochemical	0.32	0.88	0.0
28	C25 H22 O8	451.13873	451.13916	-0.1258204	451.1387	3409	3395	3949	3683	8468	2349	802	0	5469	8642	6436	1229	9415	2791	0	0	0	4744	5531	6619	7321	6552	0	2189	0	14651	0	6822	0	0	0	0	1076	1037	12771	0	1200	1798	1155	5204	7922	0	0	0	0	3166	6830	0	0	0	4966	4288	5022	0	6280	8105	1935	1599	1339	1847	0	3897	8109	4605	2602	8790	2421	2275	20689	17753	33350	0	0	0	0	0	0	0	2900	7969	2448	4121	1408	3266	7278	0	4090	1950	1427	1663	1170	2842	2328	6791	5663	0	4599	4714	5879	9846	12192	0	0	0	3207	2026	6609	0	1649	6674	Phytochemical	0.32	0.88	0.0
26	C25 H22 O8	451.13873	451.13922	-0.12122458	451.1387	8711	6795	6898	7383	10568	5321	0	0	10566	21107	15267	0	12431	5579	0	0	0	11210	8822	14277	17552	9629	0	0	0	37272	0	14540	0	0	0	0	2547	0	25690	0	0	0	3292	11758	16460	0	0	0	0	9359	15928	0	0	0	8431	7864	8561	0	9199	8262	4195	2484	2975	0	0	7055	15255	9147	3676	13753	8521	3063	41938	35843	67117	0	0	0	0	0	0	0	9425	9769	5970	6981	0	10210	12168	0	7444	3812	0	3563	3736	5017	0	16334	14150	0	8172	9467	9328	19453	11660	0	0	0	0	1901	7733	0	4139	11716	Phytochemical	0.32	0.88	0.0
18	C25 H22 O8	451.13873	451.1393	-0.028698025	451.13873	23721	28925	25950	24113	25226	12498	9145	9130	24521	84189	66790	7730	22983	15962	9763	15616	7450	20018	28227	46592	56489	31471	13375	10246	6709	117769	9037	55049	0	6052	5309	8614	10510	6307	85588	9130	8259	12003	6525	45001	40443	10991	915	0	0	28060	30756	0	11467	7244	24438	26155	14006	0	21189	20875	11115	11441	7488	9269	12557	24626	30808	15853	14171	24534	14124	12654	88753	106125	151191	9094	6105	4212	8433	7055	0	5776	24188	31309	14153	29159	9431	30063	28233	13247	18494	15665	11748	12755	21188	12424	22205	34835	42259	0	24421	22454	21018	19329	17467	10403	4975	9901	25256	9202	16076	0	13474	18236	Phytochemical	0.32	0.88	0.0
16	C25 H22 O8	451.13873	451.1393	-0.07841239	451.1387	13578	13410	10507	12398	9280	4621	3270	5356	13643	33333	22747	3026	11269	8689	6613	6045	4388	8251	10467	23637	29427	14839	4903	9012	4821	55340	4548	17824	3713	3054	4862	8908	7774	3081	44049	3911	6238	8265	8176	15703	16328	4620	0	0	0	11670	13107	0	4150	6305	12942	12329	7447	0	5871	8298	5178	7873	4978	6647	0	9887	9499	10209	4091	10432	6456	4685	45632	53062	73344	3952	5420	1991	5973	3971	0	3081	12330	10653	7113	13414	6036	14513	10128	5780	9586	6416	6664	0	4655	10692	0	10778	12726	0	15040	14165	11080	11897	6662	6488	5939	6202	8868	0	10616	0	6525	14084	Phytochemical	0.32	0.88	0.0
14	C25 H22 O8	451.13873	451.13934	-0.15994161	451.13867	3818	3586	6412	5722	5401	3964	0	4130	4306	15187	8828	2469	5526	3999	3008	5667	5426	4191	4974	11557	11147	0	4179	0	1707	17897	3362	0	2574	2770	2725	0	4323	2127	9526	2364	2397	4141	3566	6464	10895	2077	0	0	0	6676	5991	0	2284	0	5584	4854	2579	0	4768	2399	2732	2266	0	0	0	3962	5210	4319	3821	4852	2694	4834	21687	13934	26975	2521	0	2227	3533	3175	0	4162	5928	0	3891	4185	2585	6402	5887	0	5265	4766	0	4942	0	3304	6851	7894	6560	0	2309	5673	4577	3705	0	0	3218	4483	0	4083	6179	0	3445	2339	Phytochemical	0.32	0.88	0.0
22	C25 H22 O8	451.13873	451.13925	-0.05991564	451.1387	38314	32927	31695	32224	39552	17797	7007	7884	39306	97414	90896	6701	38378	40037	16236	10124	6740	42254	35744	74265	81962	42894	17324	14827	10478	169326	7758	78979	7570	4706	9914	9458	11471	8853	116551	6840	13035	12295	9520	59183	67497	12963	0	0	0	46678	51927	0	6598	8048	31605	29844	26753	326	33974	31565	22959	13465	11554	12867	10741	43803	47280	27209	17513	43938	23978	13226	158431	171726	210935	4347	4124	3536	6254	7596	0	9506	29335	44733	18401	33543	13084	48053	46605	24179	24048	15279	15642	16597	25955	29603	19741	59571	58572	0	35809	29958	36195	41519	32828	11212	8048	15284	36472	11698	35018	0	15874	42118	Phytochemical	0.32	0.88	0.0
20	C25 H22 O8	451.13873	451.13925	-0.061847076	451.1387	40151	36838	36761	29989	34041	20461	9226	10915	46349	119220	88398	8555	34163	26741	12245	17885	8943	38267	38136	91031	86735	50127	13882	14230	10319	193498	11339	77433	5733	8740	8454	7791	15424	10955	137017	9165	16072	10238	9615	62913	65527	16427	1772	0	0	41172	51286	0	14529	10385	32761	39748	32449	0	27983	30951	18129	17493	13704	12278	13271	36457	40163	27212	18224	34918	21701	10693	152850	183375	233509	9151	9417	5021	8133	6764	0	8550	35103	47888	22746	35090	7341	55539	46537	23299	31834	16502	18808	24005	23962	32981	18803	63418	56980	676	34831	33905	41030	33108	35311	12039	10681	20681	33817	15224	36553	0	15676	44813	Phytochemical	0.32	0.88	0.0
24	C22 H26 O8 S1	451.14212	451.1426	0.14685167	451.14218	15884	12892	17762	14834	4502	7535	2132	1598	15882	29612	23700	3100	16895	4033	3835	4966	2148	14154	9290	25688	26838	17745	3815	6057	5373	19998	1429	9042	2009	0	2209	2283	4570	3942	54916	3044	4323	6532	4665	38706	13729	3429	0	0	0	16403	30156	0	5167	3485	10873	10253	15506	0	11405	7287	5809	8568	7925	11516	2932	17637	6440	14878	2877	8791	12234	2196	28506	38799	27089	2184	1088	2085	2431	3789	0	0	5148	12716	3433	21816	5468	29654	6489	4866	3364	3592	6282	3805	16777	19479	10357	24012	26854	0	17126	17598	12374	6052	5547	5428	2077	16070	10974	12842	4997	0	2339	27890	Organosulfur	0.36363637	1.1818181	0.0
8	C19 H22 O9 N4	451.14597	451.14667	-0.008755784	451.14597	24497	18888	18773	16280	7068	10403	9062	14380	13087	17271	17977	17336	17148	3494	14926	17964	18662	18653	22095	18615	28719	36382	21302	25417	8166	15483	6518	11037	13648	15560	16342	12474	17622	11814	20642	14214	19579	11650	18116	14996	23465	14014	0	0	0	15792	33261	0	15892	16470	15222	15444	14153	0	14626	4658	8572	20530	11618	14786	16244	17598	21795	16058	10288	15858	9138	23136	0	15669	25203	15808	13048	9884	16302	10766	0	14348	20767	8828	9798	8810	9954	12057	14148	0	18831	9944	11158	43100	0	23772	42634	21471	21678	0	19286	13797	5884	14232	14342	18968	14258	11830	0	20086	5272	0	11930	21626	Peptide	0.47368422	1.1578947	0.21052632
8	C22 H26 O10	451.15988	451.16058	-0.07216511	451.15985	149410	166097	110434	141099	67352	58802	97490	149062	96655	121506	125396	113304	74516	24768	100242	155566	135475	43796	108827	117143	125759	148400	112355	162432	41494	51516	110979	47380	124630	141018	111218	160659	120057	98620	140823	140287	123429	89953	96619	172677	109098	58833	1800	0	0	157495	220474	0	173709	164980	118284	135572	61661	0	111107	62984	58816	83457	127314	148068	99810	69460	112124	95304	25086	77287	70870	161946	73258	133630	209672	128119	128073	130469	118805	137559	518	87055	91214	48131	69526	82332	98994	63606	89753	18108	131448	35784	79194	99117	26732	63550	161816	66591	139316	1488	81266	141217	86376	71409	42422	139302	101154	157231	42992	121121	39919	0	104537	98441	Phytochemical	0.45454547	1.1818181	0.0
28	C22 H26 O10	451.15988	451.16046	0.013167859	451.15988	10526	7240	8971	8417	7573	6601	5016	9107	8271	25084	7482	2973	16226	5681	5625	5544	3674	14985	10806	26252	21394	8886	11265	10760	7205	14418	3811	8024	7288	5788	5455	5215	6249	4842	21202	5569	9404	5566	2975	11592	7510	5325	0	0	0	13793	11249	0	8406	6393	7383	8350	8672	0	13438	8175	2998	8924	4287	0	8436	5480	14121	7844	3257	13395	5439	4728	10103	26953	17179	5879	5785	5631	6183	5762	0	4318	7671	3860	5945	6965	5129	9191	7642	4321	7828	3368	4989	4518	6811	8178	9851	5984	10183	0	10369	10196	7318	9130	7850	7497	4749	7702	8174	4988	4739	0	4539	13742	Phytochemical	0.45454547	1.1818181	0.0
20	C22 H26 O10	451.15988	451.1604	-0.033362124	451.15985	378303	374820	365828	338940	349977	319433	168059	356280	422634	880068	294988	182634	530382	201490	313583	268988	142741	497322	470317	770345	668931	435921	291049	332743	281287	404987	150861	264461	316119	266450	314316	291360	351582	281074	954733	261886	386388	228735	148697	532826	266002	185601	10866	2676	1526	548949	390750	2408	309746	267039	385878	377861	270913	3023	494794	282321	172655	310384	336108	131446	282953	319954	512469	382329	148214	361102	234546	152167	330445	773616	473814	353207	299377	311443	171186	270510	1335	260195	300198	175017	251471	324588	191724	316980	295311	204895	248004	159555	217800	163832	305692	344174	387685	239094	317406	3593	364786	380162	302509	244135	229611	273985	202264	340296	339848	282258	259540	2075	202196	593841	Phytochemical	0.45454547	1.1818181	0.0
22	C22 H26 O10	451.15988	451.1604	-0.059681863	451.15985	165558	161413	150136	137362	144698	146363	67341	129942	185277	357192	153833	70371	233140	82250	137633	119904	75213	252198	165341	269904	273576	189735	147752	155311	110969	177204	65218	109151	133904	107159	95338	105816	112485	136489	341696	120131	165183	95292	83892	218937	165099	79607	5774	0	1620	245955	206634	0	158659	122687	151917	164235	121716	1747	205197	129830	96542	119057	115690	56255	119533	137711	207364	163243	62074	181116	85184	85862	171077	343038	237725	170434	181339	136344	75784	116248	1246	88855	136795	93043	149867	149501	70595	134412	187115	82763	113452	100075	126960	81038	136662	163906	176691	122912	186249	2608	147678	146846	118319	138364	122369	114083	71684	136402	152149	115367	119336	0	92730	245758	Phytochemical	0.45454547	1.1818181	0.0
26	C22 H26 O10	451.15988	451.1604	-0.07763224	451.15985	18667	16650	16948	21340	25545	20336	4172	13801	18580	45930	13117	7965	40249	14588	15483	14753	0	31759	27091	37106	32513	19884	17853	14339	9414	16523	5251	13268	11937	8853	13640	13213	14312	9602	43473	16325	21022	12875	5729	24940	17945	14185	0	0	0	22177	24396	0	12553	11754	17530	16983	15852	0	32736	19045	12664	13001	9888	5018	15453	13246	31541	21221	7882	22522	11195	6308	18021	44240	26789	13129	13177	9295	0	13256	0	10470	18746	13121	13113	16995	9885	16161	24299	34043	13938	19641	11338	7403	16037	16703	24250	12900	18593	0	15745	14172	17481	19764	18333	13690	9346	15075	14291	11617	19454	0	9138	33274	Phytochemical	0.45454547	1.1818181	0.0
20	C21 H26 O9 N2	451.1711	451.1717	0.05386839	451.17114	17359	17137	14775	12729	12453	11375	12597	15602	9253	15127	10113	7911	14318	5049	20651	17793	8241	18422	18880	21280	13812	25706	15635	25462	20324	4052	10025	6806	18880	16088	17923	14366	23044	14724	25624	14844	28213	15358	10297	20521	12309	9551	609	0	0	16921	13346	0	22878	14789	16190	15311	10966	0	19883	6792	5757	16583	17692	8584	19571	16083	12897	9634	6067	11299	7692	10525	5318	8016	11088	17956	17880	14096	8791	8609	0	11631	19737	10666	9953	12285	13179	9397	6168	10134	12239	14136	11700	16339	25798	21084	28294	11926	13213	0	15938	12720	5348	10543	5258	16064	14030	19764	13593	21359	7759	0	20559	23248	Phytochemical	0.42857143	1.2380953	0.0952381
8	C21 H26 O9 N2	451.1711	451.17178	-0.07870612	451.17108	99517	102115	82967	104753	47479	40631	56072	98558	61329	160820	78697	55772	81140	23644	67220	93794	70357	67510	86389	144616	156613	179779	72079	110576	47453	22991	52635	54676	84181	74863	75893	94544	97932	77132	231384	81149	99604	62197	95596	138619	130202	49751	457	0	0	133544	143002	0	108779	81153	97210	101514	48627	0	82234	42734	37609	84509	82414	75751	98823	97814	87982	69935	35932	65845	55817	96211	40835	61649	66413	89714	84067	76091	56851	82977	0	57455	73820	71775	59953	74744	63168	72923	50802	31253	64536	47844	51087	114085	80847	132922	145327	94242	134743	0	102858	95259	48776	52941	51558	100663	54417	122005	74790	92097	35691	0	58403	82383	Phytochemical	0.42857143	1.2380953	0.0952381
18	C21 H26 O9 N2	451.1711	451.17163	-0.13391578	451.17105	47888	54592	46913	46915	31714	34533	41393	63429	31354	75588	30235	31962	41674	15215	54588	55157	36188	52939	54071	57401	62586	85049	45117	60121	60908	11126	33257	24581	60137	43506	56459	55179	75178	52416	71513	52768	76033	37950	35748	73677	38609	36927	1067	379	0	54805	35217	0	60110	49512	50900	49393	30704	0	53863	25603	28975	61143	59121	20785	61306	47792	50430	39812	20659	40406	39924	30034	12067	39603	21845	47935	41743	54717	29484	41800	0	41996	43288	28126	36225	37292	50433	34143	22444	31165	44877	33759	36340	39362	64804	87227	95790	33277	54986	0	43095	51955	25951	20440	17767	51945	31403	69643	29088	54139	19550	0	53527	55188	Phytochemical	0.42857143	1.2380953	0.0952381
4	C21 H26 O9 N2	451.1711	451.1719	-0.120266214	451.17105	11960	13209	11884	12024	9429	7495	5149	11346	11175	17473	10225	6864	15082	3740	9490	14439	12592	10748	11889	14500	16188	19304	10250	13836	5298	4121	7376	5211	7522	7941	8932	10501	11933	7948	24148	9024	11214	8846	17212	14566	18120	6726	0	0	0	13968	21819	0	11541	10592	13606	8988	7142	0	14643	9548	6048	11848	9351	11561	10096	10037	14094	10010	5750	10090	8080	13333	7311	5321	8683	10238	8542	9930	3947	8215	0	6501	11976	11467	8661	9022	7629	7645	10808	6610	9436	6692	6476	19102	9077	12747	19873	12337	15110	0	11643	14809	10203	11406	11231	13636	6320	13333	10808	11916	8736	0	7001	15763	Phytochemical	0.42857143	1.2380953	0.0952381
26	C26 H26 O7	451.17514	451.17563	-0.12968212	451.17508	16658	15821	16326	15266	20781	6035	2512	0	22783	33659	41470	4058	27133	9147	6411	8266	6506	16995	24265	38857	43771	15770	8758	11427	7294	87678	2355	37956	6872	6275	6891	4475	5650	6901	37153	0	7974	5114	8631	28797	41534	8214	0	0	0	18090	26085	0	6902	0	17515	12235	14554	0	16135	19656	8535	7059	8155	7177	8201	18200	20609	15682	7049	25138	13609	10604	102289	74358	113807	6541	6111	0	7076	5790	0	6946	17317	17279	14919	15572	6900	26441	32187	10058	15934	7037	7835	7965	8679	12234	14338	22261	18787	0	14166	19911	16366	27955	24630	7689	4118	9205	10722	7860	16689	0	7753	20720	Phytochemical	0.26923078	1.0	0.0
22	C26 H26 O7	451.17514	451.17566	-0.103503846	451.17508	69976	66583	67703	71722	62834	39071	23565	42425	70607	136685	139994	25427	61575	49413	34601	48985	29212	68682	63358	146937	157560	70598	44410	48814	37763	359863	24642	152770	30875	28326	31024	32356	37879	26737	159583	29057	46297	32101	35251	106168	123559	36571	0	0	459	70414	80279	0	34252	29263	66700	69793	59108	0	49717	57622	38371	40348	35276	33451	42187	84504	80198	45725	30264	63507	57941	38951	305956	343140	427624	28812	27937	22801	22386	29203	301	28091	69971	54687	57298	54226	34815	91949	80106	42491	59659	38198	45027	50228	50695	44820	54725	71038	76804	0	59456	72873	62199	65098	65821	39407	27066	44287	48457	40035	63228	0	35658	61955	Phytochemical	0.26923078	1.0	0.0
28	C26 H26 O7	451.17514	451.17557	-0.15191357	451.17505	4641	6539	4869	6109	8017	3770	1279	3316	6666	10016	9792	2343	10581	3977	3360	3309	3561	4786	6315	9058	9427	5825	4151	5140	2258	29100	1360	10254	0	3372	3265	2029	3440	2954	12072	0	3727	2170	3311	7560	13670	2578	0	1230	0	6143	6984	0	2999	0	5567	5210	4250	0	5216	5523	3166	2192	2080	3235	4490	5112	5261	4535	2351	8340	4368	2798	28674	24057	46594	2846	2137	0	0	2587	0	2828	5589	7693	3419	4746	2721	9288	9981	4026	6564	4352	4363	4247	4145	3580	5268	5502	8334	0	5045	5478	5803	11007	7045	5576	1259	3900	4540	3180	5980	0	2043	5681	Phytochemical	0.26923078	1.0	0.0
20	C26 H26 O7	451.17514	451.17566	-0.08717191	451.17508	58895	62685	55421	59447	48953	35032	26704	38622	53736	110712	106419	26837	58891	48163	30849	50241	33787	43037	65843	122616	124370	57958	36539	43262	33662	276230	23972	91472	28464	26417	26808	27301	34035	34437	136899	29119	32164	30397	29067	86849	92833	29520	2043	0	0	58529	59751	0	32816	33354	56641	65764	44368	0	41445	52058	29296	40975	31766	34360	42575	56015	55865	46999	28390	46821	41209	30538	224459	239738	343004	28829	29034	26750	31134	31515	0	25209	65367	53052	47545	36211	27040	84535	65241	29334	55875	33206	30080	52283	51873	47977	63647	42409	52856	0	61181	51708	50632	65986	59589	41746	24992	42954	38292	34206	46117	0	40087	52904	Phytochemical	0.26923078	1.0	0.0
18	C26 H26 O7	451.17514	451.17566	-0.12017623	451.17508	38167	28105	35506	30536	27807	15785	22141	24617	27395	47933	52819	20102	26693	21307	20507	29067	23925	19234	28740	56777	68979	34561	23050	32798	23747	124540	20550	40682	15880	19031	21320	24603	31798	18546	63747	23852	16960	19417	26790	49206	46638	19363	553	0	0	28672	34482	0	25380	16904	32940	39432	26019	0	23517	27179	18552	31497	21164	22819	26022	25856	35715	21433	12916	26759	20369	29523	90274	111840	162408	20203	16887	19067	21463	26376	0	17755	43548	25510	27710	26881	23122	40952	32535	18492	38333	17969	18240	36089	29858	35163	35524	18345	29052	0	27768	29243	33284	32924	26571	29567	18358	29799	20884	23220	23697	0	29029	24806	Phytochemical	0.26923078	1.0	0.0
16	C26 H26 O7	451.17514	451.1757	-0.14590155	451.17505	16279	16667	13487	12898	8129	6878	7054	11130	11803	16346	19352	11208	7959	8110	6743	17552	12171	8203	10518	23197	23780	14645	10752	16195	10584	41237	13322	10179	6656	10972	11797	11576	14136	8051	27496	13808	10954	9295	16014	13997	22201	8203	0	0	0	9629	18351	0	15064	12005	15741	14742	9510	0	9897	8036	6888	12096	9889	11789	0	9030	12622	8570	6443	9819	6561	17572	33795	38797	52331	10622	10760	8588	10198	11541	0	7600	18000	13821	13683	12438	10248	12798	10217	8580	19760	7917	7804	0	14584	9621	0	8566	18922	0	15718	12634	10668	14608	9448	11248	6772	17914	11630	13771	5999	0	13712	9777	Phytochemical	0.26923078	1.0	0.0
4	C20 H26 O8 N4	451.18234	451.18314	-0.0713146	451.1823	4318	5470	4827	5523	2101	2424	3177	5044	2525	2454	1831	3774	3403	1075	3808	4511	7534	3886	3942	2722	2829	7148	5454	8548	3590	0	3064	3444	4618	2869	4083	3885	4730	2369	3965	4740	6723	4246	10394	4034	3677	1801	0	0	0	3605	4796	0	5931	3644	4970	4009	1496	0	3304	1722	1892	5637	4418	3765	5127	3089	3631	2277	2668	3035	2276	7058	0	0	0	3148	3673	2622	2416	2781	0	3099	4623	24766	3571	1618	2094	1408	2440	2276	4296	3014	2398	9351	16149	10658	11728	4556	2752	0	3353	5245	1561	2294	2480	5936	2849	4832	0	5008	1412	0	4156	3381	Peptide	0.4	1.3	0.2
6	C20 H26 O8 N4	451.18234	451.18304	-0.09482617	451.1823	10532	11642	10707	8479	3507	5040	9479	11703	4003	8038	4687	7942	5467	2283	12758	15855	10180	6164	11706	8489	10669	17248	9308	16886	10152	0	5286	5127	10423	10308	11516	12463	14640	11910	9269	10412	14851	9622	16448	7718	10952	6204	0	0	0	10093	12240	0	11317	12942	8607	10386	5173	0	8550	1904	4323	14269	10345	7180	16025	6495	5318	8015	3945	6169	7042	14309	0	2911	0	11158	9340	8330	7105	10272	0	7819	11142	13252	7260	4624	8158	3784	4434	4521	10277	6612	8065	24288	27849	21302	26501	9889	9045	0	9286	10203	3144	3129	4795	12486	8238	12139	0	16001	3470	0	8193	7358	Peptide	0.4	1.3	0.2
8	C20 H26 O8 N4	451.18234	451.18298	-0.17265579	451.18225	12499	14678	11784	12173	4206	4920	9725	14770	5920	8217	3454	11816	5219	1583	13621	17628	10799	5249	7721	7982	7342	17477	9604	21276	12888	972	8554	7494	12181	12676	13415	12764	16907	13269	11456	11186	15642	10652	13020	10239	9364	6739	0	0	0	12839	10494	0	19377	12861	8753	12292	3827	0	7343	3166	5327	14459	12501	9742	14683	6865	7023	5866	3754	6448	6170	13282	0	0	3616	13540	10460	10237	9775	12778	0	7989	10596	6298	9769	6089	8701	6875	3854	0	11946	7690	8031	23396	22688	23261	31005	11118	7474	0	12306	11647	3671	2462	3718	15494	8528	14987	0	14218	4103	0	9212	7948	Peptide	0.4	1.3	0.2
10	C20 H26 O8 N4	451.18234	451.18295	-0.14410676	451.18228	10364	11744	9368	8935	4373	4372	9159	12341	3461	0	3288	5390	3645	2682	9972	13120	9568	5407	9241	8180	7029	15816	10416	16661	12164	0	5546	0	11404	9608	12082	10680	14737	10899	6962	11687	17763	10346	14592	8653	7743	6244	0	0	0	8003	7830	0	16303	9147	12740	9171	3278	0	5366	3128	2677	17226	13881	6235	13561	5358	4476	4657	2375	6769	6399	13778	0	0	1898	10811	8372	11019	8994	9423	0	8167	9052	0	6029	5738	8267	4152	4163	4574	9278	7128	4760	19920	13882	14318	27077	4767	5460	0	12915	10679	2435	2644	2645	17553	7321	10289	0	14099	4581	0	10298	5724	Peptide	0.4	1.3	0.2
22	C20 H26 O8 N4	451.18234	451.18326	0.09095722	451.18237	13262	10606	10712	9304	14020	27832	4772	15308	8032	23010	16962	6652	13200	0	7754	11606	4684	12624	27950	26240	14790	7712	8616	14442	5230	16740	0	14790	25148	13242	9076	0	0	29480	19710	28048	9170	0	8212	15538	14580	7427	0	0	0	13256	11498	0	29484	17812	9570	11332	6162	0	9812	9094	5554	15262	5160	7954	13168	6586	7422	6434	4640	16452	10142	7968	21770	20582	27788	25526	17242	25418	9282	12820	0	7152	7284	7582	0	12260	8138	9990	3860	4752	5866	13018	8608	9686	12056	12562	13673	10034	10670	0	9086	12090	6808	3992	0	12036	0	10078	7198	12190	5626	0	6336	15372	Peptide	0.4	1.3	0.2
14	C23 H30 O9	451.19626	451.19687	-0.09889458	451.19623	601826	621524	576048	578186	156980	139469	239856	672886	198387	755058	499588	444184	207278	105489	508222	690028	289453	204266	449206	858540	743508	317531	528400	763572	455414	354087	408010	256434	539540	577930	542962	346196	552478	413832	792268	625810	503308	463962	584946	540130	306454	335970	5585	1184	706	534558	288507	1072	671016	594852	548492	584916	301034	1076	232977	157136	273612	685794	314501	286686	416446	357496	225787	206547	126573	194197	319676	564390	349945	828150	812786	480164	519400	618332	538230	574360	415	446086	599146	191463	573386	395470	458238	403974	197102	135372	582944	289518	352128	365671	477268	492096	702618	182463	419128	2544	597030	604130	161979	178978	179566	593602	414354	715530	201376	537244	168169	748	500210	206869	Phytochemical	0.39130434	1.3043479	0.0
28	C23 H30 O9	451.19626	451.19675	-0.14023778	451.1962	14207	14138	14287	14236	11431	11122	7255	14766	13676	32736	8688	8362	22199	7392	9338	15563	8783	20998	22123	34482	33334	13816	12920	14250	8469	19017	5745	12553	14113	14776	13169	13006	14777	13972	31734	14841	15688	7278	10189	15743	9180	6278	0	0	0	12575	10122	0	13401	11542	14162	11646	11305	0	16643	8385	5670	16107	8701	5429	19134	9319	17269	11892	5076	14541	9463	7330	15984	42698	29417	10532	10244	15417	11302	9697	0	7815	14318	4252	11354	7022	8011	10345	11867	7756	14773	7517	7688	7198	15350	17300	15649	7084	13789	0	13623	14725	7995	11829	8723	15753	6731	14701	7718	10521	5654	0	7673	19023	Phytochemical	0.39130434	1.3043479	0.0
20	C23 H30 O9	451.19626	451.1968	-0.017695151	451.19626	992783	981949	977646	885882	732730	736266	494775	1098667	953537	2276689	844189	500957	1127276	483219	927884	775086	382163	1094644	1262760	2139033	1838689	1048321	832649	1050994	852532	1104733	427123	826220	1029942	850736	886430	895603	1119151	814859	2579253	859524	1227089	695895	426954	1305138	558004	580669	17292	4491	1639	1021604	504877	3478	922947	821799	980213	989142	649588	4936	1247889	648091	438225	905627	1027680	339332	909766	765020	1075226	915190	369850	808857	631169	426726	848482	2126353	1200682	978394	887638	1017368	492568	879293	1366	760131	775035	388131	691897	505691	674395	763068	649005	518793	671307	464517	616724	454546	946132	1135178	1238868	479435	762606	7386	1003745	972396	602664	544114	523633	954065	611943	1069283	544344	827627	570020	4801	579670	1302568	Phytochemical	0.39130434	1.3043479	0.0
26	C23 H30 O9	451.19626	451.19678	-0.10608814	451.1962	35112	31536	35540	32910	32089	27697	17881	36448	35140	82590	24843	21482	51298	23514	33108	32194	20562	49752	56831	70011	75985	33522	31948	38644	22891	38371	8106	25572	31399	30935	32693	27122	36552	33132	71495	30793	43518	27269	22438	42699	26978	19983	0	0	0	35921	31804	0	32646	30182	39092	38893	28654	0	50676	37309	16316	39038	23121	14282	35218	26683	55039	39374	12763	39650	26870	17512	41326	85146	66413	32466	33033	39089	33488	31921	0	26627	31178	16415	30560	16973	19431	27473	39203	14245	32161	19003	24316	16885	32485	40015	47013	15674	38954	0	32676	36522	22412	30269	30783	34373	21328	33617	19422	29379	19166	0	25380	52506	Phytochemical	0.39130434	1.3043479	0.0
24	C23 H30 O9	451.19626	451.19675	-0.09172793	451.19623	123968	120974	118648	119681	105529	100252	44955	120559	121214	242829	81072	60280	172215	60095	103975	89439	50080	168023	156984	214518	202352	118231	109614	127403	90987	108203	43278	78637	99201	84304	94204	102413	115998	83578	256108	103399	143848	78429	52267	137173	79228	57688	3327	0	0	121478	81763	0	111273	85999	124876	105491	85170	0	171030	98956	56543	110919	91609	40734	106439	88686	168996	128684	43635	124154	75800	54688	109315	250887	157978	110291	88995	102130	52672	88723	0	87664	106672	48885	95583	65324	73049	78648	110152	65851	91508	54826	78121	59520	111376	116518	146903	60158	99370	0	114814	109847	74520	82982	96554	100944	65065	106366	70787	104311	70920	0	72929	185561	Phytochemical	0.39130434	1.3043479	0.0
22	C23 H30 O9	451.19626	451.19678	-0.05100344	451.19623	466993	427271	393047	446642	326713	362323	202702	501253	465854	1004010	329069	224585	499083	232765	412447	352329	174966	619394	523287	861755	794095	492434	387893	470322	412894	441864	170173	307289	463367	361929	441672	440551	483190	364867	1068468	406174	564486	341566	182692	502954	233465	229172	12080	3690	1883	467204	226653	0	422036	385030	445120	431662	304439	2754	622514	316016	211969	420955	464540	133360	374414	337892	547423	408683	177296	391873	298103	182644	373519	1062861	515258	441127	361750	431199	181505	363220	1243	354924	383846	161442	342507	238516	259367	263205	333169	249079	326718	211824	280834	216375	432583	542890	545551	222459	367229	3782	414202	440118	272865	257295	243561	396367	275214	425125	246913	387248	266596	0	264648	663474	Phytochemical	0.39130434	1.3043479	0.0
20	C22 H30 O8 N2	451.2075	451.20807	-0.09338996	451.20746	16006	12930	18125	10934	8352	14933	12217	16830	11938	19096	6455	13363	15815	7007	17414	20251	9540	12136	18499	20061	14922	18085	14715	22045	22396	8168	11954	6010	25208	13057	16942	21656	27195	22148	24783	20489	31659	12198	11468	18097	5158	10855	746	0	0	14522	6391	0	26884	14747	15009	21496	10818	0	16597	8277	7381	19035	19398	8155	23051	12474	13027	10690	5201	10005	11905	9719	6078	9777	5939	17237	16862	22918	9861	20319	0	14654	9935	7384	8487	7110	17064	9515	4667	7618	15724	11817	12662	19179	42362	37618	46286	10428	9312	0	19310	16259	6652	3645	7349	22637	11917	19782	6818	21773	9704	0	14498	15414	Lipid	0.36363637	1.3636364	0.09090909
6	C22 H30 O8 N2	451.2075	451.2082	-0.14976726	451.20743	26260	25588	21608	22708	10287	10652	15485	26405	12666	33713	13262	14370	15843	6732	20133	33031	14947	15955	21934	36935	36423	38777	18628	33906	20976	7936	13695	11947	24824	25008	26590	28722	31851	23909	34848	27711	34250	16648	18982	28750	20437	10896	0	0	0	26933	23329	0	32229	24007	21327	23045	11915	0	21123	9648	7555	32318	13890	10938	30983	17572	16569	15513	6970	12379	14205	23472	7899	17714	12411	23216	22790	22780	12454	18545	0	16767	17454	11070	13650	11805	14905	13388	10656	13427	20062	11500	16334	31000	36777	39060	45470	19242	32078	0	22456	21004	6812	8061	9016	25454	12026	37104	11484	24128	7151	0	18637	13451	Lipid	0.36363637	1.3636364	0.09090909
24	C27 H30 O6	451.21152	451.21198	-0.10557491	451.21146	110527	109087	100439	97650	109323	62515	43527	78227	90601	152393	200985	52226	109549	66063	65231	96036	72055	92254	115195	188247	191272	99119	78664	108287	69835	484318	44000	187586	65015	77359	68107	72462	83323	66784	179050	70721	91503	63271	66878	148882	168742	59464	2765	0	0	93988	97883	0	79861	74695	97421	104621	88181	0	91534	86750	58783	87537	69172	59007	94025	106890	95041	75764	47409	103831	89637	73388	433156	368553	516494	67035	56029	58879	45803	64369	0	59161	110655	92936	88341	71129	55588	143639	113827	65343	113149	66457	74136	94357	73438	83387	133080	103762	103603	0	104389	101510	73882	104102	104174	96274	46728	102739	69719	83433	87556	0	74250	96127	Phytochemical	0.22222222	1.1111112	0.0
26	C27 H30 O6	451.21152	451.21204	-0.10125971	451.21146	47245	46959	43383	40867	46451	25127	16054	35371	43234	64066	84370	24332	63069	35104	33692	44316	25505	43366	55505	87922	86058	41895	38057	46360	30575	226971	13419	88704	36810	28235	34073	29525	35845	26169	73253	39849	42973	30362	26961	63547	84376	31335	0	0	0	45654	51196	0	31630	34278	44985	45762	32763	0	37958	53780	24704	42638	30265	24166	39273	44049	45271	33189	19156	55422	42928	33331	240509	149360	213790	28694	26203	34252	20756	30413	0	25635	47928	41539	39990	33033	30547	64774	63052	32016	49044	30060	32258	39790	31697	36813	58642	42833	43758	0	47410	50155	37556	69756	68481	43173	17887	44528	31635	33537	53305	0	31259	37354	Phytochemical	0.22222222	1.1111112	0.0
22	C27 H30 O6	451.21152	451.21204	-0.11116672	451.21146	279702	272039	253190	269015	262915	192469	159512	245912	232121	410580	366609	150138	251383	162638	229094	251872	234996	318988	300607	525596	514103	297968	222509	302137	214216	681766	150232	310871	235859	217003	269737	232017	260613	215867	464569	223044	273105	180090	187656	371143	320499	230216	0	0	6674	268076	263444	0	248850	270836	339681	249896	237817	7121	256482	204263	154314	257157	190192	240051	280427	250109	237839	210234	114394	238657	206556	215232	579641	825360	801824	209711	221163	204536	172616	224430	9582	164668	274609	218135	216311	195560	188860	253026	246191	164162	333697	147545	187194	360226	480159	354755	386390	222940	330845	0	262151	282525	167166	203716	194471	264870	135862	299803	176188	254078	209117	0	212393	288373	Phytochemical	0.22222222	1.1111112	0.0
28	C27 H30 O6	451.21152	451.212	-0.14831528	451.21146	8397	8440	8600	7784	11616	4349	5373	7115	9380	10730	13856	3739	13648	6626	4226	6977	6804	6146	11515	11980	11904	8144	8339	9001	3946	41613	3632	14072	5418	8494	5697	6712	6096	4828	13578	7050	7016	3949	5657	11370	17045	5200	0	0	0	7858	8730	0	5702	6052	9586	10249	7950	0	12606	7660	5837	8481	4399	4718	7093	6958	11255	7912	4302	14162	8773	6473	41980	29007	57595	6584	3983	4309	3300	5586	0	5257	9526	9797	6634	7471	6591	12272	14101	5168	13541	5898	4948	8837	7709	7596	8673	8317	7877	0	12226	9565	8464	19372	18602	9703	4733	8084	5208	6862	8940	0	6700	6250	Phytochemical	0.22222222	1.1111112	0.0
12	C21 H30 O7 N4	451.21872	451.21933	-0.05815728	451.2187	8271	8856	8112	4349	0	2606	6344	4726	1402	0	0	3486	0	0	2846	5358	6885	0	0	2016	2786	0	2711	0	3667	0	0	19489	6101	4592	5744	4676	7613	4162	0	6190	7211	3203	8293	0	0	1830	0	0	0	2658	0	0	4545	4322	6401	4505	0	0	0	0	1156	6487	0	0	0	0	0	0	946	1396	1062	12120	0	0	0	4969	0	5206	6485	5184	0	3140	2703	356263	3465	0	1269	0	0	0	1804	0	1562	0	374780	71326	6985	40176	5308	0	4849	11672	0	0	0	5364	5110	0	0	6817	0	0	3897	0	Peptide	0.33333334	1.4285715	0.1904762
2	C21 H30 O7 N4	451.21872	451.2196	0.05586073	451.21875	1653	1321	1557	1908	516	0	2051	1900	470	680	0	1418	502	0	2290	704	1663	975	2106	1130	1224	2365	2251	2236	973	0	0	3938	2256	938	1424	1565	2706	1558	845	1621	2136	1883	4084	915	2081	0	0	0	0	582	923	0	1601	1528	1507	1557	570	0	1520	337	691	2391	1025	1128	563	699	637	857	0	940	1012	4366	0	390	525	1066	2500	1698	0	1766	0	1604	2159	24125	1710	0	1045	517	352	908	2866	865	1799	6335	5530	3727	5768	1474	0	0	3299	1423	506	0	616	1136	1693	1261	421	2490	622	0	1853	491	Peptide	0.33333334	1.4285715	0.1904762
8	C21 H30 O7 N4	451.21872	451.21948	-0.06351574	451.2187	13327	13840	12267	16257	0	7123	2422	6765	0	3675	7292	2574	1411	1353	4078	7900	3496	2261	2736	2450	0	6001	3347	5126	5531	417	3527	65567	5980	2801	4552	4796	5271	4116	4043	4246	6856	3851	5329	2658	3478	2737	0	0	0	0	3188	0	8025	5245	14331	15502	2102	0	1793	0	1501	6996	1077	1022	5736	1578	1466	2299	0	3124	2631	5089	0	0	0	5291	4307	3927	2872	3518	0	2921	3044	491421	3030	1472	2825	0	1327	0	5279	2224	2343	7594	743322	240347	14746	51001	10681	0	11976	13994	1423	1040	0	6410	2995	4546	0	6740	0	0	5451	3036	Peptide	0.33333334	1.4285715	0.1904762
6	C21 H30 O7 N4	451.21872	451.21942	-0.055879213	451.2187	8350	9286	7779	8619	2157	12730	3424	6361	1313	3641	4542	2069	2294	1223	3537	8791	5126	2353	3348	2859	3033	6992	3641	7956	5303	0	3326	29189	6210	4934	5979	4861	7536	5103	4260	4798	8483	3310	2612	3951	2091	2560	0	0	0	3777	1969	0	7553	4043	10983	10310	3120	0	2212	1195	1226	5131	1654	1431	7565	1370	737	0	999	2849	1601	4539	0	0	0	5783	4694	3583	3259	3888	0	3470	4069	270122	1863	1410	2686	1581	0	2466	4608	3790	3490	9461	255223	77630	12204	22154	7294	0	8355	9844	1264	0	869	5927	2873	4439	0	5989	988	0	5063	1864	Peptide	0.33333334	1.4285715	0.1904762
14	C21 H30 O7 N4	451.21872	451.21927	0.09886918	451.21878	7601	6328	6246	8965	1218	0	6293	18108	0	0	0	6411	0	0	8147	9762	21258	0	2457	3005	0	0	0	6197	6239	0	9287	12465	24398	25922	11324	19924	14984	17080	0	26728	14138	5181	15126	0	0	1984	0	0	0	1964	0	0	13520	19016	4960	6067	0	0	0	0	940	0	0	0	0	0	0	0	1317	1208	1058	16210	0	0	0	13174	21755	32130	28179	19927	0	7596	4691	105260	6182	2815	0	0	0	0	4167	2357	2072	9666	112561	18788	8771	10287	0	0	5732	6820	1451	0	1442	18458	7404	0	0	11425	0	0	6623	0	Peptide	0.33333334	1.4285715	0.1904762
4	C21 H30 O7 N4	451.21872	451.21957	0.001467916	451.21872	2606	2507	3347	3018	1589	5011	1690	2685	1056	0	0	1210	1401	624	2391	3600	3727	2245	1455	1413	1058	2342	2532	3202	2603	330	1499	8791	2552	1490	1870	3135	2461	2290	2843	2686	4067	2551	4295	1231	1953	1374	0	0	0	2139	1339	0	2407	2321	2341	2216	885	0	1923	369	943	3225	1593	1594	4129	0	939	1288	0	869	1011	2695	0	0	0	2962	2789	1736	1508	1848	0	1837	3176	49949	1404	862	2150	513	877	1293	2999	1981	855	5067	38526	13193	7711	4601	2411	0	1870	3535	897	0	536	3132	1796	2918	0	3725	898	0	2682	943	Peptide	0.33333334	1.4285715	0.1904762
10	C21 H30 O7 N4	451.21872	451.2193	0.021633916	451.21875	14441	12918	14485	12818	0	3003	3074	5111	0	3962	7639	2344	1049	0	4903	4353	3111	1549	2116	0	0	7161	2693	7567	4551	0	4342	44707	3266	3988	4397	5638	5168	2143	1495	3063	5279	3502	4190	3313	0	1729	0	0	0	0	0	0	6620	0	11183	9354	1485	0	0	0	1509	6746	0	0	0	1793	0	1520	1489	0	1311	3830	0	0	0	3185	3916	3723	2456	3038	0	2819	4158	452144	2012	1070	1373	0	1191	1502	4026	2367	1812	7365	770254	180046	12540	55853	12753	0	12492	11023	0	0	791	3470	1761	0	0	4328	0	0	3799	0	Peptide	0.33333334	1.4285715	0.1904762
24	C24 H34 O8	451.23264	451.23312	-0.0886246	451.2326	301407	271231	287765	294301	233880	237241	160942	288953	286037	544614	208116	133672	386198	167516	271229	250385	125617	408554	501361	580373	473550	301162	240345	293109	271969	268181	122548	218723	312285	255157	263191	283422	368538	249167	690492	307585	457859	202224	122189	346711	136561	162527	5081	0	0	255796	122684	0	294785	216790	289041	276769	205922	0	454971	254205	138985	285330	298698	83993	288588	204270	366701	297352	116878	310935	216749	127144	216360	583298	314904	267489	250311	279490	132054	228812	0	222064	237026	110739	187231	138499	212588	186800	229972	157842	218029	132266	216315	146082	355888	417293	412040	154753	274229	0	288865	288119	154378	190171	194967	304840	148113	334775	159332	259275	181829	0	181933	399318	Lipid	0.33333334	1.4166666	0.0
26	C24 H34 O8	451.23264	451.2332	-0.10364655	451.2326	63044	64500	52777	61538	62046	48661	32524	68018	67958	98740	44911	30287	98922	42334	54569	60841	33659	105367	113016	123149	107670	71472	46146	66695	55796	55040	28569	45154	76693	61055	57561	56433	78371	49405	143472	66835	102966	42647	32182	74295	35019	35592	0	0	0	60415	27986	0	61907	58019	62692	66019	50644	0	105373	62958	30352	67469	58352	19942	66655	44218	89698	68131	25202	70415	51687	36240	56791	137929	89188	52527	55259	57662	36527	50150	0	41231	61839	40026	45853	29100	49992	37778	54931	39667	43890	35284	42824	35669	72020	85537	89462	28299	54303	0	59250	69332	29480	49982	52065	73335	34978	61754	39151	47807	40522	0	34949	82029	Lipid	0.33333334	1.4166666	0.0
28	C24 H34 O8	451.23264	451.23312	-0.165462	451.23257	11991	11276	10268	11497	11282	7262	9284	12285	9757	21409	10124	6130	18618	7745	7398	13825	10200	13708	20565	21076	21282	10927	11317	14211	7972	16608	9360	13176	16516	11805	9312	11445	18290	9932	21921	12723	16919	7172	9983	9425	7841	7640	0	0	0	9918	6519	0	13047	9041	12808	11370	10421	0	16888	10840	4400	14027	7344	4585	14282	7812	17730	9076	6136	15091	12227	10178	14751	34627	29563	7416	7931	9966	5880	8172	0	7977	9889	5875	7820	4941	11118	8270	12199	7359	14185	7799	7881	10306	11469	16309	15481	5508	10621	0	9830	12121	7578	13831	13696	14143	6600	13104	6400	9793	4456	0	7190	14346	Lipid	0.33333334	1.4166666	0.0
22	C24 H34 O8	451.23264	451.23315	-0.093173	451.2326	588476	586833	517663	571986	449223	412196	359712	652137	578469	1000408	444119	311087	548447	356222	526221	508761	294556	691726	736404	1073400	923193	554558	477068	577178	513326	578755	317395	493705	717493	530605	586918	639839	748936	549039	1156391	613928	805572	443357	313268	588073	290655	337601	16253	0	0	477233	264540	0	639088	514607	560589	554326	437001	2871	813637	461373	313010	598927	573383	216089	573940	384662	686381	541345	248998	540203	435152	301567	449568	1098049	615087	551088	514735	560703	317357	556345	0	453908	496704	236180	409016	282475	466648	337887	446548	365072	468812	298269	425704	335725	652857	759573	706241	298540	482691	0	526505	578611	353194	388842	391692	684284	366262	644003	290725	527720	362226	0	362368	743680	Lipid	0.33333334	1.4166666	0.0
12	C24 H34 O8	451.23264	451.23325	-0.13987164	451.23257	17347	18386	18459	17080	6395	3140	25983	20425	9427	12729	9432	12087	4707	4326	11470	26350	30414	2895	12834	12772	5686	10453	13406	20598	12880	4834	22831	0	18844	22586	17711	20289	18516	9650	8351	22156	13784	17240	28519	9291	13347	7014	0	0	0	7303	16694	0	22038	19994	13040	19083	6263	0	6169	7559	7489	24138	8740	11407	17556	4101	5235	6975	7257	6587	5535	28155	0	10285	9135	10609	12264	21620	32068	17870	0	9763	24751	0	13276	9073	11124	6401	10385	4289	22606	6069	6086	23763	10706	12824	14767	8631	7079	0	18779	16654	9815	10176	14952	18275	11992	18964	0	13404	9258	0	14024	6615	Lipid	0.33333334	1.4166666	0.0
10	C23 H34 O7 N2	451.24387	451.24457	0.003652827	451.24387	9294	7713	5824	9015	4328	5405	8233	14171	2436	7675	3369	5117	4527	0	7565	9631	7054	3538	5163	12576	6037	12911	7215	13372	12734	1908	4838	5305	11234	9130	8265	16154	12035	8111	12376	13043	13933	6941	7874	10825	4132	4590	0	0	0	6126	4885	0	12288	8337	6202	10774	3547	0	5082	1546	2435	15902	0	0	14365	3916	2947	2228	1959	5861	4090	11330	0	10172	3034	11218	10935	12081	6787	9930	0	5950	5685	6304	4509	1391	3644	5187	2349	1796	7336	4897	4381	20010	25882	13762	19088	5227	11815	0	8566	9179	1287	1614	2009	12784	5963	11172	0	11332	2237	0	6706	2047	Lipid	0.3043478	1.4782609	0.08695652
12	C23 H34 O7 N2	451.24387	451.24454	0.026623935	451.2439	6426	6370	6354	4536	4947	3657	5349	12754	3363	4136	0	1812	3391	2614	5114	8353	7612	3736	3167	7408	8811	5799	5329	10531	10703	1778	3043	0	8053	5050	9875	10111	14163	6576	11973	9545	8849	5967	9957	10536	4601	2884	0	0	0	5006	4828	0	7063	5508	5678	5386	2927	0	1454	0	2915	10997	0	0	0	3406	2493	3080	2662	3473	3849	9589	0	3964	3112	7312	7181	5019	4748	3677	0	6745	6165	0	3760	909	1432	3944	1564	1798	7163	3569	3422	22343	14850	9686	17483	4204	6132	0	4794	4920	0	2357	1082	7715	4117	6326	0	10626	2644	0	5629	3344	Lipid	0.3043478	1.4782609	0.08695652
8	C23 H34 O7 N2	451.24387	451.2445	-0.045511167	451.24387	6805	8533	5751	8196	2858	3747	4704	12507	4273	8278	1551	5031	3773	1928	4823	12594	4485	2339	4846	12714	10352	9722	6338	15028	9321	1975	4148	5861	10321	7999	8531	10388	10419	8700	10208	10168	10989	6045	7380	8646	5094	3887	0	0	0	6366	5031	0	14332	10263	9292	8205	4537	0	5530	2316	2395	15338	0	1023	14444	3001	1607	3791	2681	3113	3465	6547	0	8004	3715	10373	6510	7421	7155	7245	0	7076	3499	9109	4216	1949	1656	5635	1818	0	9069	3463	4802	11432	17489	15523	20528	4194	9131	0	9799	5496	1760	1461	0	10337	5180	11693	0	9006	0	0	6318	3435	Lipid	0.3043478	1.4782609	0.08695652
24	C28 H34 O5	451.2479	451.24835	-0.12891157	451.24783	123434	131324	115890	122407	144285	78317	70846	113213	104136	114913	152683	87942	113725	75010	98940	147163	128867	107896	157935	155191	147040	98592	94565	131107	96484	416716	82302	156112	104776	123695	97194	120848	121108	85734	139241	128083	134638	83879	131049	132061	169107	86661	2498	0	0	94506	99343	0	118775	119484	126822	125230	117885	0	128597	117752	74274	129181	82727	91578	126007	79701	106663	100194	59560	114548	102235	146760	305953	271055	370404	82068	93191	108330	95212	119117	0	85331	150195	105961	113164	70202	82205	117496	175150	104482	151211	79532	94357	131693	90937	93075	137570	96115	104242	0	120845	128216	98831	165358	160753	150320	74798	130848	62726	107462	147680	0	102496	110009	Phytochemical	0.17857143	1.2142857	0.0
10	C22 H34 O6 N4	451.2551	451.2556	-0.24601279	451.255	7114	5930	5597	5020	0	8598	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1633	1181	0	0	62031	1052	1042	1597	0	1238	0	0	0	1568	1235	0	0	0	1497	0	0	0	0	0	0	0	0	5136	4732	0	0	0	0	0	1264	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1208	950	0	1446	0	0	0	333901	0	0	0	0	0	546	0	0	0	0	458491	120523	1971	33967	2978	0	4788	4042	0	0	0	0	929	0	0	0	0	0	0	0	Peptide	0.27272728	1.5454545	0.18181819
12	C22 H34 O6 N4	451.2551	451.25552	-0.33221933	451.25497	1760	1552	2657	2170	0	2892	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48457	0	0	0	1332	2016	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2686	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	115564	0	0	0	0	0	0	0	0	0	0	244714	79145	0	13205	0	0	3168	3564	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.5454545	0.18181819
6	C22 H34 O6 N4	451.2551	451.2557	-0.08128932	451.25507	3081	2498	1994	2120	0	3664	0	0	0	0	0	0	0	0	859	1089	0	0	0	0	707	741	0	1047	0	0	0	24924	0	0	0	0	801	0	0	0	783	0	0	0	0	722	0	0	0	0	0	0	0	0	2170	1473	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	237740	0	0	0	0	0	0	0	0	0	1330	129801	45155	2329	12451	2100	0	1952	2005	0	0	0	0	0	0	0	797	0	0	585	0	Peptide	0.27272728	1.5454545	0.18181819
8	C22 H34 O6 N4	451.2551	451.25565	-0.28157574	451.25497	4550	3867	3714	3143	0	14522	0	0	0	0	2817	0	0	0	617	0	0	0	0	0	0	0	0	1362	1562	0	0	76299	0	0	0	1106	2008	0	0	0	1767	560	0	0	0	2851	0	0	0	0	0	0	1561	0	3851	3475	0	0	0	0	0	1614	0	0	0	0	0	0	0	0	0	1853	0	0	0	1250	1265	0	0	0	0	915	1215	299931	0	0	0	0	0	0	0	0	0	0	407721	157597	2006	24576	3789	0	5561	4621	0	0	0	0	0	0	0	0	0	0	1020	0	Peptide	0.27272728	1.5454545	0.18181819
28	C25 H38 O7	451.26904	451.2695	-0.19510727	451.26895	10322	9812	12183	9253	10176	4113	19956	10411	8428	9687	6444	4023	12593	7709	8562	10667	9242	9562	22321	13683	9391	10834	7101	10057	13732	10351	18791	12520	13722	13689	9905	12503	20538	9727	15256	17510	17787	7820	11125	8657	4383	8075	0	0	0	7921	3591	0	12610	9313	11032	10909	9131	0	17312	11973	5389	15792	12047	3757	11810	7037	11249	11584	8233	19276	13932	9596	8436	12385	11855	6140	9255	9643	3914	10510	0	6138	10672	9664	4943	6892	11696	8858	12285	9512	14760	6425	8533	12301	19255	22129	16218	6189	6379	0	12687	10494	4764	15442	14144	19620	4214	14189	10400	10435	8138	0	7223	12715	Lipid	0.28	1.52	0.0
20	C25 H38 O7	451.26904	451.2695	-0.17485176	451.26895	73292	68196	60836	54213	48803	34831	97040	64070	53285	31806	34089	51125	45499	52479	59009	90950	119201	44552	70206	48869	39066	40445	45408	54515	51925	42993	102616	33958	84239	95875	63334	84907	77078	62089	31890	88740	73988	49363	118601	22239	38056	45154	3128	2850	707	28727	29713	2792	87624	59647	62478	64658	49625	900	66452	55959	46717	79304	34428	40888	70682	18865	56949	49291	51464	62727	59723	108412	29725	39131	47720	48816	69788	78147	123428	84088	568	53360	75077	35968	47555	25222	100456	78133	83384	54986	90428	40900	50301	98219	65835	62225	73946	24100	32428	3787	59513	68961	39159	75417	82103	102641	49624	65205	27767	60579	57474	2516	54961	52707	Lipid	0.28	1.52	0.0
12	C25 H38 O7	451.26904	451.26974	-0.052619252	451.269	0	0	1665	1752	0	0	0	2517	0	0	0	0	0	0	0	0	17921	0	0	0	0	0	0	0	0	0	0	0	1288	2953	2960	0	0	0	0	2120	0	1845	19474	0	0	0	0	0	0	0	0	0	0	2720	1500	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20731	0	0	0	0	0	3080	12912	0	0	957	0	0	0	0	0	0	0	0	1388	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3834	0	0	0	1804	0	0	0	0	Lipid	0.28	1.52	0.0
18	C25 H38 O7	451.26904	451.26956	-0.13780446	451.26898	46186	48428	44590	50338	33582	22772	78996	58426	28378	11282	24130	40756	25670	27010	39192	74098	113638	22596	39902	18800	15958	18522	30450	41910	40334	18880	86396	36287	65898	72502	51086	67014	61572	34102	18164	69744	65430	43968	155152	9550	23092	26384	9978	634	0	19410	20684	0	75084	47588	41556	47342	36222	850	39176	48834	31494	70282	42994	37256	60772	14468	36306	27942	33154	30678	41028	139622	16826	15579	30618	26196	36544	63954	112488	56806	0	35082	58358	40620	34602	14178	52784	28774	54418	36776	64336	25080	38480	90164	33610	37000	45378	15226	21108	1218	47608	57968	34478	44940	65700	69444	30482	62864	44508	31436	33766	840	51276	22302	Lipid	0.28	1.52	0.0
16	C25 H38 O7	451.26904	451.26956	-0.1175624	451.26898	4548	5062	7598	4768	2382	1585	9412	10043	5512	3384	3774	3231	2933	2869	5680	6802	21904	0	3457	2661	0	0	4612	7008	5299	0	12124	0	9494	15899	9981	10513	6303	2930	2344	11318	6037	7386	25724	1494	1451	2248	0	0	0	2975	2315	0	15512	9280	4561	4740	3615	0	2854	3555	2751	11755	0	4822	0	0	4280	3721	3058	1623	4858	21052	0	0	0	4073	6083	10415	19941	10378	0	3674	8926	4705	4234	3319	7700	1997	7909	3637	11519	1224	4685	0	4201	2369	0	0	1623	0	4136	9021	3082	9259	12286	10754	3234	5481	0	0	6055	0	6079	0	Lipid	0.28	1.52	0.0
20	C29 H38 O4	451.28427	451.2848	-0.1240743	451.28424	8507	5322	5394	8637	7575	0	15697	5372	8550	0	2221	6715	0	5401	6129	9678	33279	3233	4668	2281	0	0	4789	3960	6642	1861	15118	0	5986	7140	5533	4940	4032	1998	0	5191	6234	7256	35400	0	3611	3190	0	0	0	0	4762	0	7285	7227	6815	6811	8073	0	7347	7163	8799	7905	5511	11379	5281	0	1857	3270	6627	2958	2332	29351	1858	2360	2759	2384	2152	6005	21714	7225	0	3558	15990	5723	7916	1320	8555	0	14064	11161	18733	2663	3610	29332	5310	4715	6151	3746	2669	0	6238	6737	9931	18521	18627	11589	6574	6126	2261	4326	10760	0	9945	1518	Phytochemical	0.13793103	1.3103448	0.0
28	C26 H42 O6	451.30542	451.30588	-0.19837685	451.30533	8815	9325	8753	6541	5289	3284	66397	8642	7328	3999	8574	6796	7272	10909	5997	9144	11427	5540	9805	4672	2094	4301	5228	4671	12042	5334	59622	15652	14710	13585	8914	11470	16013	8260	5955	15715	16718	5066	10365	4459	2807	6385	0	0	0	4749	0	0	12169	9194	7655	7876	6310	0	10342	7702	6785	11736	31037	5442	12206	19789	4430	6512	7832	13211	15705	12929	3795	4113	3037	4658	6632	15160	7189	10546	0	6425	8241	11089	2508	8467	13228	8431	11544	8122	15112	3364	7026	8106	16635	17812	7746	4877	2996	0	8793	7566	6494	10305	12182	19105	5465	14724	29735	9069	10695	0	7981	3857	Lipid	0.23076923	1.6153846	0.0
20	C26 H42 O6	451.30542	451.3061	0.3831952	451.3056	0	3520	2402	1997	0	0	3072	6045	0	0	0	0	0	1938	0	3808	5596	0	0	0	0	0	0	1682	2030	0	6159	0	1822	1972	1252	3736	1495	1973	0	2484	2195	0	5954	0	1680	1542	1380	0	309	2131	4178	0	3208	0	0	2866	1559	5072	0	1527	1711	0	18591	8471	3278	0	0	0	1395	1606	2066	4598	0	0	1739	3258	3981	3485	6953	1504	0	0	0	0	0	0	3468	0	0	0	1997	1308	1095	4063	0	0	2700	0	2380	1151	1689	3001	1202	3074	2433	2253	0	23735	30070	2211	0	0	1701	0	Lipid	0.23076923	1.6153846	0.0
22	C26 H42 O6	451.30542	451.30588	-0.13760051	451.30536	6263	8400	5415	5480	1517	3147	46151	6061	2201	0	4116	7977	3723	5696	7697	12573	30312	3230	6283	0	3220	2042	1685	1562	7512	3588	35786	2182	5773	7488	3181	5800	5725	4513	0	9561	5387	9414	38407	0	0	2916	0	0	0	0	1362	0	8460	4471	4581	3434	2639	1835	1548	3432	3551	8276	1908	3172	5665	0	2242	1792	5601	5086	4892	24070	0	0	0	2061	5163	8605	27514	5441	0	1965	2470	3635	1601	1122	23079	19804	4337	5829	6478	1856	4499	15690	5211	3986	5061	0	0	0	3659	3546	4320	4724	4669	10296	6407	3644	2358	5770	3754	0	6289	0	Lipid	0.23076923	1.6153846	0.0
22	C30 H42 O3	451.32068	451.3211	-0.12260095	451.32062	3308	2286	1832	0	0	0	5801	0	0	0	0	3893	0	0	3075	4525	23995	0	0	0	0	1373	0	0	2693	0	7183	0	0	4546	1492	0	1580	0	0	1735	1549	3863	26210	0	0	0	0	0	0	0	1373	0	0	3542	0	2093	1468	0	1581	3058	5592	3444	1129	2627	2765	0	0	0	2373	0	1288	24469	0	0	0	0	0	2334	8572	2393	0	1508	8655	3472	4406	0	1249	0	4708	3688	10130	1306	1126	25208	0	0	2672	2454	0	0	2358	0	4161	10266	6080	3310	3304	1521	0	0	5612	0	8269	0	Lipid	0.1	1.4	0.0
24	C30 H42 O3	451.32068	451.3211	-0.19348477	451.3206	15981	16370	11681	14498	9665	5784	21090	17527	12154	1440	4143	16362	4525	12244	15443	25451	72066	4731	12459	1626	0	11039	9326	6638	26437	0	29579	4307	9122	19475	13252	15199	12513	5773	0	19878	10363	19946	68370	2028	5579	6115	0	0	0	2425	6195	0	12173	22360	14079	14471	12038	0	12733	16866	17263	19342	6540	16667	15986	2162	2338	8162	13117	6842	11841	81246	1615	0	2956	1850	3778	24062	28008	12924	0	11901	34043	22201	17596	4417	9686	3068	32362	26676	42157	11092	9562	99765	12851	11807	36886	14724	11269	0	14747	12962	17451	28069	32923	26896	12047	12193	2853	12487	27902	0	28487	1438	Lipid	0.1	1.4	0.0
28	C27 H46 O5	451.3418	451.34222	-0.19715513	451.3417	4968	2558	3783	4261	0	1137	190629	2922	1169	872	10734	2075	1712	12484	2399	3024	5917	0	2382	2927	2372	2475	2549	0	3787	16863	147157	12379	3017	4211	1751	1697	2142	1181	0	4176	1903	3683	4542	1527	3421	0	1466	1303	0	2449	0	0	2702	4381	4037	3164	1064	3675	0	2412	2876	2471	7220	5636	8852	4327	3080	0	11879	1808	4770	3818	9769	1915	2171	1358	1079	3692	0	2216	0	1019	4564	12266	2422	7257	8396	9202	0	3230	6571	1847	0	3674	5204	2870	2031	3811	2804	1323	3455	4295	3019	1482	2458	2048	2756	7881	9982	1772	1362	1651	3360	947	Lipid	0.18518518	1.7037038	0.0
26	C27 H46 O5	451.3418	451.3421	-0.1810693	451.3417	6333	3717	5430	5675	0	0	199646	0	0	0	9415	3618	0	30752	0	0	7313	0	0	0	0	0	0	0	0	16521	187502	15361	0	0	0	0	0	0	0	0	0	4358	8840	0	8499	0	0	0	0	0	0	0	0	0	5646	5457	0	0	0	0	4586	3461	3474	12472	11763	4842	5737	0	27970	1639	7596	10180	6548	1775	2965	0	0	0	0	0	0	0	0	10250	0	7437	17433	26825	0	0	6615	0	0	5893	7201	5830	0	2454	0	0	7278	0	5112	1814	0	0	3011	11869	10844	0	0	0	3895	0	Lipid	0.18518518	1.7037038	0.0
24	C27 H46 O5	451.3418	451.34186	-0.119076826	451.34174	0	0	0	1344	0	0	23647	0	0	0	0	0	0	5549	0	0	2491	0	0	0	0	0	0	0	0	0	31041	1579	0	1165	0	997	0	0	0	0	0	0	1360	0	0	0	0	0	0	0	0	0	0	0	1849	1263	0	0	0	0	0	0	0	1090	0	0	0	0	4425	0	1362	4109	0	0	0	0	0	0	0	0	0	0	0	1601	0	0	3215	5468	0	0	0	0	0	2955	0	1208	0	0	0	0	2038	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.18518518	1.7037038	0.0
28	C24 H50 O7	451.36295	451.3634	-0.14076133	451.36285	5962	4624	6350	6995	4292	8380	4757	18231	4759	4943	4860	3183	3861	13400	5831	9438	5041	3486	5550	12851	3214	4644	3125	3160	5013	5052	4164	7039	6989	6717	7235	17545	4292	8515	3617	7726	3700	4111	3812	7806	4466	4482	4591	3719	6599	5672	4384	3590	16094	8527	3906	5033	4411	5563	4668	2538	5754	13890	15125	5492	9148	5566	3667	5095	4350	5221	9097	10323	4232	10324	3406	10168	4326	7141	3526	5093	6140	2413	4538	4527	4313	5111	5607	5098	3773	4634	4843	4766	4883	3529	61399	12557	1751	4347	4063	3863	5960	4856	3385	2481	3472	3584	4203	9516	17079	3873	6277	4482	6349	3956	Lipid	0.29166666	2.0833333	0.0
18	C19 H17 O10 N1 S1	452.0646	452.06534	0.096025094	452.06464	2529	0	3356	1962	2209	3095	0	0	1834	4510	4814	983	6286	1402	0	0	1841	5132	3988	7253	3022	20506	2346	1313	0	1302	0	2116	0	0	0	0	0	0	8781	0	0	0	0	5974	7541	1136	344	0	0	3878	6299	0	0	0	0	2246	2018	0	2666	3384	0	2672	1464	1234	0	7095	5862	1445	992	2289	0	1986	3056	1565	3079	0	0	0	0	0	0	0	1456	9249	0	4987	0	3857	2046	1436	0	1120	1665	1978	3381	5194	0	15019	22835	0	3111	2214	0	2474	1838	1865	0	0	4096	0	2019	0	0	5822	Organosulfur	0.5263158	0.8947368	0.05263158
18	C19 H17 O12 N1	452.08234	452.08304	0.08376653	452.0824	15302	13564	12711	9404	30234	12904	0	2912	24321	14639	8805	4873	55722	10582	4573	4472	3689	32331	26933	7691	31324	32685	12636	4706	0	0	3500	2922	6091	1704	2217	0	3852	0	18432	2578	5060	3966	0	10058	18510	6766	1227	0	0	19636	58995	814	0	3562	13350	12417	17723	293	32168	36332	12806	3797	5874	4545	3435	17706	50197	31777	9001	34844	12080	4149	7450	1996	5332	1943	0	0	2121	0	297	4516	10125	31311	6794	24797	0	2238	45526	18535	8901	8656	10357	3434	0	6398	9253	47706	31372	0	10645	11104	23280	28980	40332	4124	3687	2416	32033	5240	26440	0	1481	53155	Phytochemical	0.6315789	0.8947368	0.05263158
22	C19 H17 O12 N1	452.08234	452.08313	0.10724337	452.0824	4270	3118	3824	4765	7698	7811	0	0	8983	4629	3555	1150	27167	0	1792	2079	0	14819	8997	4600	8807	11457	5341	1809	0	0	0	0	0	0	0	0	0	0	4542	0	1496	2345	0	2550	6153	3777	0	0	495	9375	29944	0	0	0	4168	4613	7847	0	17304	13867	5543	1432	1595	2309	1981	6137	23126	18460	4063	9875	4113	0	4230	0	2403	0	0	0	1261	0	594	0	6130	15165	3935	8721	0	2509	20477	8999	4021	4296	4590	1757	0	0	3597	21629	13842	0	3655	7352	7389	16362	18652	2218	1707	0	12659	1402	12435	0	0	22934	Phytochemical	0.6315789	0.8947368	0.05263158
16	C19 H17 O12 N1	452.08234	452.08304	0.09980357	452.0824	18622	17819	12621	16505	32820	18378	3221	2307	34971	22960	16423	5249	71675	12121	6582	7069	7792	46520	38507	15715	40575	59866	15213	6532	1885	1374	3902	2010	2211	1641	1405	0	4986	0	33267	1468	6280	4953	4284	17432	35378	11909	1193	0	303	22780	63686	560	2828	2346	15006	14541	18888	0	42635	42405	13710	4003	6573	7999	0	21880	63656	47403	17792	45259	11426	2289	8149	0	11311	3894	1522	0	4935	1201	0	4703	11315	38046	10149	31883	2223	3935	54257	16915	11412	13859	13303	0	0	7899	0	70378	38127	0	13721	23188	28019	37040	41640	8146	5608	3592	35313	0	30280	0	3109	65376	Phytochemical	0.6315789	0.8947368	0.05263158
20	C19 H17 O12 N1	452.08234	452.08298	0.07172743	452.0824	5872	10779	10602	7066	16758	10167	1629	0	17850	9955	3063	3022	36752	5452	5845	0	3655	18046	18583	6453	15405	24423	7989	2942	1949	1682	1244	1428	0	2114	0	0	4066	0	10891	0	0	4001	0	7431	12528	8239	940	0	415	13807	37161	1592	1549	0	10560	8419	12947	403	22463	22379	7482	2413	1490	2350	2471	13103	38905	22496	7053	17034	7522	0	4102	0	4002	1597	0	0	1420	0	601	2313	8101	23210	6362	14835	0	0	27488	11222	3617	3980	6938	0	2985	4153	3605	26287	20255	882	11798	12386	15363	21239	21710	3689	3008	1644	25974	2342	17589	0	1948	28851	Phytochemical	0.6315789	0.8947368	0.05263158
24	C19 H17 O12 N1	452.08234	452.08292	-0.01671321	452.08234	11631	13548	10644	11061	19122	13626	0	4200	20415	14646	6732	3171	55998	4863	5940	0	4644	30666	23085	4251	18732	27627	6435	0	0	0	0	0	0	0	3546	0	0	0	12300	0	0	5370	4077	4440	12548	4347	0	0	0	19563	63828	0	3570	0	6543	9975	8553	0	31167	25497	7413	0	4353	2568	0	16563	45156	37563	5706	22641	3243	0	5709	4143	7998	0	0	0	0	0	0	0	11475	15033	7824	24480	0	0	38205	14499	0	5577	9012	5748	0	5319	0	27366	35406	0	15237	12363	17133	21948	26631	4044	4653	0	35973	5169	27225	0	0	45237	Phytochemical	0.6315789	0.8947368	0.05263158
26	C19 H17 O12 N1	452.08234	452.08304	0.004353748	452.08237	5358	3542	4300	3974	7183	7669	0	0	8769	4967	2593	0	17010	3186	0	0	0	11309	5249	4822	7957	7955	0	0	0	0	0	0	0	0	0	0	0	0	6590	0	1835	0	0	3264	5804	0	0	0	0	6145	20565	0	0	0	5366	3672	4919	0	12221	7692	0	0	0	0	0	3789	16836	7990	2870	9241	2050	0	0	0	2000	0	0	0	0	0	0	0	2490	0	0	7644	0	0	11630	0	0	0	2285	1469	0	0	0	7613	6503	0	4011	7090	5405	7677	6031	0	0	0	8858	1769	4423	0	0	19391	Phytochemical	0.6315789	0.8947368	0.05263158
14	C19 H17 O12 N1	452.08234	452.08298	0.030601945	452.08237	34182	38002	29844	46118	56968	25726	6140	6252	70732	45984	49328	13706	118095	21516	11046	0	10486	67616	73548	24807	86742	121860	27948	13456	0	0	4422	0	0	4496	3794	0	12076	3232	78156	0	6870	11486	12962	27884	86184	22456	0	0	0	44516	128090	0	7876	4212	27148	33926	35398	0	85493	86668	24718	5302	0	17088	0	30614	137156	85378	29842	87379	31858	11824	0	3970	8398	3414	2760	0	4708	3380	0	7342	24780	49686	18444	57530	5390	6410	83953	27762	11770	21614	25672	19254	9016	10822	17910	152866	62376	0	32046	39232	66492	83990	88292	18692	11466	6136	55396	11372	61724	0	5088	117184	Phytochemical	0.6315789	0.8947368	0.05263158
22	C23 H17 O9 N1	452.0976	452.09818	-0.02171596	452.0976	6060	5814	5814	7456	4394	4350	0	0	8200	20168	11528	0	6049	0	1442	0	0	5351	5091	7001	16348	19092	2383	2667	2733	11056	1861	6289	0	0	0	0	1614	0	22920	0	2119	0	2237	14130	21774	2183	0	0	0	14024	22970	0	0	0	3728	5581	2096	0	6044	4775	2478	0	1296	2673	1305	9649	9605	7709	2534	5607	2333	2739	17362	13893	21479	0	0	0	1927	1605	0	0	4893	16416	2337	12397	1848	6594	7380	2601	3139	3019	4170	4195	3023	4448	2436	26960	24323	0	2823	4701	5261	5754	4573	2399	2123	2437	10811	2699	5335	0	1662	5144	Phytochemical	0.39130434	0.73913044	0.04347826
26	C23 H17 O9 N1	452.0976	452.098	-0.41869092	452.0974	5540	6699	4320	5337	2376	0	1920	6110	3036	7829	3641	13322	0	0	133582	0	57504	0	0	0	0	10008	8815	0	0	0	0	0	0	8809	0	4204	0	7477	6479	7758	0	126019	61786	6491	5949	0	0	0	0	0	8614	0	0	0	8039	6491	0	0	0	0	0	2167	0	0	0	3964	4514	4915	0	2238	2045	35535	9129	4745	8111	4920	0	0	11524	0	0	5054	2152	7885	2917	5839	0	4271	0	0	4428	0	0	2271	0	0	0	11519	13204	0	4543	0	0	2508	0	0	9049	0	0	6143	0	0	2842	3599	Phytochemical	0.39130434	0.73913044	0.04347826
16	C23 H17 O9 N1	452.0976	452.09824	0.06561558	452.09763	3970	3120	4224	5603	6245	0	0	0	4897	24817	13595	0	4842	1950	0	0	1732	3910	4757	10376	18644	7941	0	0	0	19873	0	5386	0	0	0	0	2817	0	22106	0	0	1445	0	11338	16743	0	0	0	0	7938	9855	0	0	0	4607	2173	2120	0	4820	3777	2299	1991	0	0	0	8368	9588	2363	1907	6621	1165	0	23391	26244	32745	0	0	0	0	0	0	0	3216	12795	2303	6029	0	6124	5612	2698	2540	3400	1777	0	0	2187	0	22281	14815	0	4570	2912	4283	5617	4325	0	0	0	0	0	4078	0	0	3721	Phytochemical	0.39130434	0.73913044	0.04347826
18	C23 H17 O9 N1	452.0976	452.0982	0.011533112	452.09763	9328	7906	4047	5881	5200	4585	1269	0	5960	23794	18278	880	5579	3412	0	3112	0	5889	6556	14262	15870	20851	2818	2417	0	20810	1515	8421	0	1361	0	0	3119	0	29049	3086	2628	1408	1779	13556	21147	2002	0	0	0	4887	17208	0	0	0	4843	5346	3657	0	7800	3576	2719	2763	1870	1516	0	9074	7098	4809	4525	6853	3494	3637	22885	30622	44641	0	0	0	0	0	0	0	2808	17102	2495	7628	1759	9161	5890	2685	3983	3684	3036	6909	3264	3217	5004	27436	31150	0	9387	7115	5550	4731	7393	0	1900	0	5917	2399	6157	0	2730	5843	Phytochemical	0.39130434	0.73913044	0.04347826
14	C23 H17 O9 N1	452.0976	452.09845	0.007402404	452.09763	2579	0	0	0	1280	2041	0	0	4272	10338	7333	0	3797	0	0	0	0	0	1851	4431	12765	6986	0	0	0	12978	0	0	0	0	1072	0	0	0	19688	0	0	0	1203	4502	8755	1090	0	0	0	1669	7179	0	0	0	0	3186	1710	0	2621	1388	1706	0	0	0	0	2132	2952	1757	986	2688	0	0	15672	15931	26435	0	0	0	0	0	0	0	1465	0	0	2603	0	3833	1442	0	2667	0	0	0	0	2255	0	7128	8903	0	2910	0	2377	2672	2339	0	0	0	0	0	2556	0	0	0	Phytochemical	0.39130434	0.73913044	0.04347826
12	C20 H21 O11 N1	452.11874	452.11942	-0.00877669	452.11874	97333	98248	103920	90718	86226	57246	40007	67323	108156	209195	132858	49074	148356	32456	53531	57049	70333	125927	119387	205052	258459	260476	71806	73972	23542	43803	30573	74629	57197	49721	59520	47777	79740	49287	309351	54026	64515	62220	68874	176352	256559	55828	2630	0	0	180425	319296	0	60811	51333	106767	95432	65425	311	143352	89058	47283	66805	73483	85680	56635	170434	179978	116234	43251	106860	57506	72919	134742	75657	114909	51885	48987	49292	48174	47114	0	46819	63298	138263	59414	138936	35750	69715	100346	52108	58862	48714	60113	91054	41304	81712	93672	224747	169059	0	111495	108017	87682	72048	90279	74598	43968	68810	238895	60965	81297	0	30928	178098	Phytochemical	0.55	1.05	0.05
22	C20 H21 O11 N1	452.11874	452.1193	-0.004826328	452.11874	14601	16048	17421	14089	25676	16443	5711	7248	26635	39205	14518	7330	38084	9882	11942	6520	2306	31498	21936	27604	37157	34040	15695	10328	6171	9206	5881	7692	3547	5142	6734	4137	8257	5264	29376	3203	11604	8071	4152	19979	21881	9465	0	0	521	48139	77743	0	6569	5810	19614	17545	18785	538	24650	22694	11066	6135	9500	5800	6951	28493	38782	22917	9656	28022	9129	3186	22297	23063	12206	6478	4315	3338	3973	3737	1230	5674	13591	24090	10832	40169	7560	18538	29643	19364	10478	9659	8069	3934	7198	9488	10493	32756	47483	0	17522	18394	17894	16168	19416	6605	6734	10085	51958	6197	28257	0	6354	38619	Phytochemical	0.55	1.05	0.05
18	C20 H21 O11 N1	452.11874	452.1193	-0.037854396	452.1187	83210	76347	72637	71020	82026	60933	22311	39030	88891	147306	72161	29349	179899	37717	35240	42301	31002	147293	129697	142503	153351	147406	58466	45618	32704	35104	26788	37255	32824	28353	36863	36501	37238	36550	181537	26248	51579	38518	30218	114976	94080	46454	4978	561	376	175975	208775	706	40213	31741	67909	68055	58421	774	135864	84080	41588	37573	46864	28990	52871	109534	153255	95662	35250	85935	57361	20860	67324	56428	77194	34378	23944	21705	24962	21948	929	31000	50839	99024	42353	137160	22183	50461	99149	60704	43620	41758	54872	28275	42244	59290	64636	127436	177897	953	75806	74717	76360	60703	70882	53531	26943	38625	145087	37192	74582	506	23309	138308	Phytochemical	0.55	1.05	0.05
6	C20 H21 O11 N1	452.11874	452.11954	-0.009723088	452.11874	8722	9561	7986	7499	8517	4621	2708	5460	13199	18896	17793	4317	16653	2550	2531	6001	4831	14090	15972	12013	24691	16264	5376	5539	1469	2742	3069	3075	3349	3170	5482	4512	4119	3444	26661	4171	6548	3872	8813	7355	21818	6120	0	0	0	9194	23483	0	3771	4314	9556	10590	8056	0	15306	12589	6621	5796	2514	8514	6284	8171	26325	12577	5672	14586	10038	6026	8302	5891	10408	4290	4470	3900	3370	3152	0	2783	6560	8409	4650	6802	2239	3882	13827	6232	6185	8123	6151	9391	0	4756	8747	17050	15820	0	8976	8683	10753	14197	17314	8918	5265	6346	10368	6876	10279	0	2589	22555	Phytochemical	0.55	1.05	0.05
14	C20 H21 O11 N1	452.11874	452.1194	-0.016605139	452.11874	205932	198464	207827	196967	187692	134325	85167	137751	216367	519518	286364	102640	340092	97027	133911	121618	104351	284619	250248	395449	480416	480946	146764	143901	79050	121695	81690	145627	106384	108334	111085	107678	170445	96672	620213	105338	130046	110521	100119	303471	346278	107307	3955	0	394	377039	572214	442	115684	122757	192194	185283	148147	0	313655	174871	93941	125089	185961	116388	150737	285005	327175	260169	98847	225351	126603	95386	218424	207167	242905	110926	106274	106926	81922	99918	249	116334	140959	296243	116989	304374	83851	138627	203017	114507	118000	106198	114134	111838	107302	156584	168522	360725	386156	692	196420	213359	174636	171845	160367	142618	100525	169284	469036	133388	155424	0	77284	300735	Phytochemical	0.55	1.05	0.05
24	C20 H21 O11 N1	452.11874	452.11926	0.017095193	452.11874	7888	8390	8865	8893	12613	9433	2044	1656	14071	19830	5897	2693	24592	4883	4704	4238	3117	19913	16554	16702	15013	12312	7274	3350	2092	5932	1723	2498	0	1452	2938	1150	3276	1085	20028	1396	3074	2924	1478	12079	12796	2077	0	0	0	27157	43271	0	0	2594	7797	5404	6642	0	16844	12931	3107	0	3041	2439	1341	11469	22194	10767	5140	11043	4162	0	10937	10236	11816	3011	0	1757	0	1436	0	2624	5614	11269	5063	23697	1898	5029	14230	6832	4723	3467	3331	0	2648	5696	4195	18592	23546	0	8698	8059	9876	9299	12163	1447	1617	4254	25373	1974	10723	0	1830	21527	Phytochemical	0.55	1.05	0.05
10	C20 H21 O11 N1	452.11874	452.11942	-0.019520521	452.1187	65203	67800	60031	58604	50936	34010	28010	42814	66710	132386	89864	37473	98208	22705	33164	50673	40624	77375	80062	105598	158324	149066	44620	45426	12150	29797	28200	40715	29140	29832	31147	33118	44450	35227	179396	36932	49547	28897	46798	114437	144829	36184	1399	0	0	98589	183572	0	37897	39809	57193	62118	39070	347	94974	58894	29293	39113	39743	51997	53519	86523	121688	75600	31043	70917	37035	47280	82044	47334	75910	37000	33100	30081	36312	33747	0	31088	41726	68514	34649	76442	24058	34004	65142	33690	38897	34088	37054	49991	27062	41420	62944	116664	126168	0	60826	70466	55451	54475	56083	52343	33410	51827	135698	43735	55973	0	21223	96839	Phytochemical	0.55	1.05	0.05
16	C20 H21 O11 N1	452.11874	452.11932	-0.03445352	452.1187	108680	99327	106218	105048	109719	74819	39973	62571	129112	248337	125585	49525	218296	49597	63035	60505	48652	195020	173721	207914	235235	265321	89873	72940	37320	53900	26132	60794	49872	44877	47623	45812	69810	35550	293116	47864	76729	50862	47407	169631	158229	56946	4529	658	824	208661	302479	610	59689	50168	112775	101964	88561	749	177844	108071	52275	59245	75487	55245	73259	153387	201216	130217	51630	124628	72025	38014	98548	77117	106323	53416	49664	41342	45705	41702	784	49967	69419	158639	56134	179246	40934	84861	121716	73077	59593	53586	60197	51485	53515	107384	91741	209827	261990	1160	111094	118431	98172	86373	94022	67580	38588	64523	192404	59853	109441	695	42855	195383	Phytochemical	0.55	1.05	0.05
26	C20 H21 O11 N1	452.11874	452.11926	-0.05108941	452.1187	4726	7299	5897	5692	8969	6125	0	0	10194	19636	2852	0	17833	3057	0	0	0	13479	8502	13407	18121	11704	6888	0	0	0	0	3349	0	0	0	0	2299	2131	16568	0	3462	0	0	9869	9393	0	0	0	0	19670	31608	0	0	0	8846	5468	4321	0	13122	11330	3861	0	0	0	0	9738	20238	8047	0	8155	2457	0	9805	10203	13572	0	0	0	0	0	0	0	4246	8864	4825	14406	0	5366	12256	0	2709	2520	3976	1487	1815	0	5472	10696	15284	0	6847	6209	5684	5722	5932	0	0	0	15794	0	5804	0	0	15522	Phytochemical	0.55	1.05	0.05
20	C20 H21 O11 N1	452.11874	452.11926	-0.062191483	452.1187	38332	40743	39076	43477	48070	34978	16161	19666	62876	79192	32887	13914	96465	24760	21686	17483	14734	68403	62408	71911	87950	72362	28606	28557	14588	26289	14728	27055	13840	13546	13488	10225	19442	11608	95739	14804	27019	16331	10907	59177	49396	20959	3297	0	719	109317	151747	1566	15449	15343	40067	40980	36792	674	75513	47613	22413	21944	24575	12849	20741	59217	72356	53963	25716	52192	31224	15577	41527	34817	48928	15144	11581	10512	12417	9776	717	19056	33867	65730	21735	81289	16624	31338	64072	34206	22658	22963	27004	17706	19857	34167	29750	81242	74727	712	39734	45518	45277	42124	57695	22153	14008	26131	103392	22780	44524	886	18852	87454	Phytochemical	0.55	1.05	0.05
28	C20 H21 O11 N1	452.11874	452.11917	-0.09828744	452.11868	6313	7053	5996	6586	5833	5814	1402	0	6442	15557	5412	1653	16049	2429	2527	3277	0	10254	10056	12759	15413	12528	2543	3655	0	7093	1590	2980	0	2578	1838	1198	2177	1152	17976	0	2617	1282	1774	8820	9934	2703	0	0	0	16510	22725	0	1520	0	4902	6460	6235	0	10366	4961	2647	2323	2057	1749	0	9272	15388	6414	3453	8693	4386	2075	11065	15180	16666	1267	1177	0	0	1515	0	1674	3938	7178	3447	13688	1547	4228	7828	4336	2709	2175	1775	2008	2554	3771	3756	6874	13751	0	7376	8567	5500	4373	5983	3713	1015	3023	14414	1707	3770	0	1815	13724	Phytochemical	0.55	1.05	0.05
12	C19 H21 O10 N3	452.12997	452.13058	-0.03608003	452.12994	14028	20096	14926	15475	11312	10141	11301	15482	12181	13876	8625	15751	23903	5026	14495	14736	22986	18242	20967	10558	16874	35896	20340	11615	9514	0	9009	0	14529	8924	17597	9845	23493	13780	22220	9755	16205	14790	17290	21220	25625	11959	0	0	0	18408	27184	0	12544	18953	15333	13277	13240	0	23865	9835	9191	20772	24619	18023	0	20468	25573	14257	7741	19098	11239	23006	0	0	5017	11556	10902	11982	14889	12099	0	14213	13586	0	12086	11370	7339	5835	10628	8523	14570	12939	14450	33473	8789	18149	37488	13852	9564	0	15515	13942	8959	12077	9915	13983	14400	15713	0	16539	9146	0	9190	23664	Peptide	0.5263158	1.1052631	0.15789473
14	C19 H21 O10 N3	452.12997	452.1306	0.02864037	452.12997	7767	8307	11795	11803	8254	7875	5669	8809	10134	6122	0	7106	10590	3201	9293	10428	11526	10410	13899	3450	9193	14815	10502	10865	6584	0	6609	0	9375	7178	9214	0	14096	6203	10938	7258	13293	5755	9710	8151	11011	6844	0	0	0	9552	15618	0	9325	10256	10717	7709	4410	0	12144	6339	4216	10113	12050	9517	0	11039	15411	0	5938	9997	8421	8029	0	0	0	6069	6986	6887	9913	7893	0	8235	11072	0	9320	9961	5361	3846	5615	0	11612	9705	9396	23380	7223	14287	21683	8870	6462	0	11517	11168	4667	4225	5379	10038	7199	8684	0	14275	4895	0	6628	14258	Peptide	0.5263158	1.1052631	0.15789473
10	C19 H21 O10 N3	452.12997	452.1306	-0.022870963	452.12997	25303	22383	27962	19802	16678	9964	10693	18071	17447	15263	14959	20117	20821	3995	19779	22710	27394	24626	28157	15738	28219	44284	22164	21614	6987	0	13230	4930	17869	17237	18029	21264	26876	16273	23307	18848	22112	17370	22816	27949	32772	15287	0	0	0	23344	44682	0	17699	16310	25179	22312	18865	0	22677	10865	10823	22597	27600	26076	22116	24633	31994	26608	16585	20907	16736	26670	0	7370	7375	17452	18037	14487	15068	17893	0	17451	22013	12695	14787	16416	10785	7927	16532	12255	17827	16036	19329	35434	13673	25461	42053	21905	17670	0	27980	23236	10574	14462	0	23736	18525	24887	30817	24936	11315	0	9621	27948	Peptide	0.5263158	1.1052631	0.15789473
8	C19 H21 O10 N3	452.12997	452.1307	-0.060133718	452.12994	23672	23172	14237	20799	14489	9923	11002	20758	20062	19702	14121	19465	27374	3815	14224	21439	22215	20214	26705	18845	22158	37346	20384	24462	6338	856	11952	3546	14140	16031	16414	15159	19080	16937	27554	15964	17431	15607	22626	24983	35394	15957	0	0	0	23113	38317	0	21183	20933	22925	23021	12917	0	25344	14537	12015	16522	16245	19825	21024	17234	37393	27078	11577	23569	13178	28178	3906	4968	10550	15367	20053	12517	16428	13991	0	13233	17354	11155	16929	14843	8868	5558	16876	8827	15154	19357	17241	37040	0	20752	35716	21754	16396	0	24890	20512	10959	17680	17026	22791	18502	22377	21817	25741	14405	0	10042	34850	Peptide	0.5263158	1.1052631	0.15789473
6	C19 H21 O10 N3	452.12997	452.13074	-0.062156603	452.12994	11878	13070	13889	10422	8504	5748	5309	9921	13430	9782	8459	9056	15327	2639	7497	13437	12537	14347	17750	11425	17297	21063	11820	13952	2841	0	5009	0	8364	7443	9965	9404	12096	8340	13259	7569	12650	6880	12836	12339	22811	9018	0	0	0	10786	23219	0	9045	10736	14837	13290	9580	0	14797	9077	7156	10826	6371	12392	11971	9462	22578	18307	8410	14366	10250	17371	1906	2635	4669	9727	8882	7558	6084	6874	0	6035	9575	4087	8040	6637	5301	2539	16466	7933	9446	12113	12015	24566	3089	10543	23043	11616	10083	0	12498	14705	8273	13268	13431	12924	9451	10007	17197	14625	7549	0	4337	22492	Peptide	0.5263158	1.1052631	0.15789473
22	C24 H21 O8 N1	452.134	452.1345	-0.09471884	452.13394	6360	8046	6678	7819	4237	5256	2984	0	7878	33422	32858	1235	3994	5192	2164	4376	1975	6068	6851	17368	29661	15569	3774	2331	1819	30677	1692	19588	2216	1093	2380	0	2857	0	28121	0	4537	2264	2046	23844	33555	2721	0	0	0	22525	28292	0	2199	1667	5471	7561	4866	0	8003	5532	3933	3972	3616	3517	0	18694	11145	7177	1961	10272	8410	2488	40233	40153	58782	0	0	0	1226	1752	0	1501	5730	18211	3564	12701	1615	16254	9572	4004	5710	3741	5872	6602	5283	0	9236	29663	24377	0	8860	7905	7068	6700	5004	6161	1026	2242	12103	4792	7132	0	3019	9207	Phytochemical	0.33333334	0.875	0.041666668
14	C24 H21 O8 N1	452.134	452.1346	-0.011478411	452.134	4600	4040	3145	3324	2600	2110	0	0	3909	25488	15562	0	4242	2781	1231	0	0	3036	3417	15019	16230	9270	3245	0	1748	36172	0	9202	0	2161	0	0	1831	1607	24385	0	2846	1148	0	8112	17630	1442	0	0	0	4349	12833	0	0	0	4177	2976	3880	0	0	4026	1919	3237	0	0	0	8636	4081	4036	0	4411	2399	2659	30260	32252	44783	0	1387	0	0	0	0	1088	2774	0	1011	5204	2208	6686	4574	0	2668	0	2724	0	3920	3942	3492	11299	12050	0	0	2943	4850	1503	3978	0	1077	0	0	0	3023	0	1452	2765	Phytochemical	0.33333334	0.875	0.041666668
20	C24 H21 O8 N1	452.134	452.13452	-0.012566466	452.13397	14103	16488	10267	10711	8838	6530	3039	0	11805	55502	48564	0	4372	5981	3254	3439	2517	4690	10592	27930	30724	21399	3830	5310	3237	58594	2034	32742	0	0	0	1880	4937	2344	56707	0	4399	2688	4581	29342	41261	4251	664	0	0	22793	35393	0	3370	2949	12668	13631	7025	0	10697	7912	5094	4623	3410	4148	3685	17283	11611	7887	3278	12522	6546	3518	56852	57594	86068	1822	1400	0	2256	3186	0	2210	7524	25588	3614	13991	2545	28624	5989	5117	8276	5441	4833	9325	8321	12896	7984	28283	31436	0	10463	12382	8245	8093	6620	3350	3294	6959	17724	3449	8426	0	6120	11172	Phytochemical	0.33333334	0.875	0.041666668
12	C24 H21 O8 N1	452.134	452.13477	-0.06945263	452.13397	0	3758	0	2999	3866	1706	0	0	1237	12164	9316	0	2209	1674	0	0	0	1313	3021	7219	15336	5936	1273	0	0	21232	0	9785	1602	0	0	0	0	0	16976	1266	0	1117	0	6554	12675	1250	0	0	0	4276	5502	0	0	1486	0	0	2096	0	3339	1544	0	2425	0	0	0	6630	3202	1492	1328	3602	1305	0	17774	32525	34707	0	0	0	0	0	0	0	0	0	978	3899	851	4390	2881	1395	3111	1615	1723	0	0	0	3338	7017	7118	0	3391	2364	0	0	1780	0	0	0	0	1515	2089	0	1229	2363	Phytochemical	0.33333334	0.875	0.041666668
18	C24 H21 O8 N1	452.134	452.13458	-0.04058827	452.13397	10041	11907	11583	10496	8495	5282	2454	3598	7275	46340	35972	0	7041	5951	3017	2893	1731	7650	10443	34786	26634	19540	4195	4044	3745	54898	3281	37232	0	0	2297	0	4196	0	44479	3049	2649	3176	4305	30681	30871	2320	0	0	0	14788	30686	0	0	2086	9557	10062	8434	0	7525	8257	2082	4109	4012	3257	3710	17772	12376	5260	2949	10083	5088	3411	48292	63890	88444	1742	0	1255	1431	0	0	0	7432	23799	2653	14304	3218	19272	7383	5493	6634	6229	4556	9147	8313	7461	5379	25983	30378	0	7571	8221	6365	7699	7567	2765	1882	6219	7805	3407	4550	0	2021	8150	Phytochemical	0.33333334	0.875	0.041666668
24	C24 H21 O8 N1	452.134	452.1344	-0.11480382	452.13394	4395	3257	4250	4387	1699	1944	1233	0	2717	12279	15435	828	5458	1280	0	0	0	2689	3653	6254	11535	8127	1535	1596	0	17354	0	10903	0	1072	0	1134	1784	1402	17705	0	2720	1345	1676	12988	12489	1951	0	0	0	11431	17085	0	0	0	4160	3895	2502	0	3625	1965	2090	1486	1064	1312	1076	8695	4552	3551	0	3959	2122	0	17548	14035	29792	831	0	0	0	1158	0	0	1435	11390	2258	9213	1000	5809	3644	0	2661	2506	2148	0	3100	4391	2587	13637	12794	0	5857	2536	2637	1447	0	0	1699	2927	8187	2062	0	0	910	3087	Phytochemical	0.33333334	0.875	0.041666668
10	C17 H25 O13 N1	452.13986	452.14056	-0.18988764	452.13977	14335	11689	13703	15326	16699	13460	9470	14570	22782	30420	17145	15112	29362	5840	13676	9039	19157	25620	28391	20539	30276	32514	18268	14554	6254	8496	6623	9735	9386	10451	10315	14212	11550	11069	43204	9521	12148	6255	13442	26842	31023	7044	0	0	0	25675	40856	0	9462	12634	15321	15039	15519	0	34687	15214	10180	13242	14297	12980	0	17740	35901	24543	9950	22044	13822	15708	9757	12375	13147	12236	9971	9469	8353	8433	0	6971	9030	16631	9407	21009	9495	10634	16450	11629	15576	14603	13795	12629	6361	17041	16822	22621	28998	0	15671	15123	8798	11957	20904	17376	9604	14426	29987	12842	18087	0	9022	36065	Unclassified	0.7647059	1.4705882	0.05882353
12	C21 H25 O10 N1	452.15512	452.1558	0.017077742	452.15512	201148	208678	201822	201381	113751	102724	131681	455150	139615	472401	256380	121493	165614	61767	272272	165296	152465	178729	211599	447645	464118	393162	173229	205441	112588	211471	102852	189219	184800	168025	349986	167942	212497	163463	641615	169503	170213	266386	149224	388890	354468	103955	4771	408	0	345619	354223	0	165582	189152	203102	200132	104834	468	213812	104206	85459	184932	229703	195899	233330	273035	198376	148797	61910	149219	112206	172813	322804	313535	285323	172390	165092	180359	112453	154247	212	140715	142372	185791	134912	457074	277332	200176	132706	95069	136640	81985	111349	188924	154349	227067	439952	221704	253619	1024	201908	235807	130114	91008	100635	189353	128353	237274	244875	164025	114236	0	107875	205687	Phytochemical	0.47619048	1.1904762	0.04761905
22	C21 H25 O10 N1	452.15512	452.15564	-0.093382224	452.1551	82787	96934	78096	84636	94838	80814	33554	73050	106250	207956	72438	38970	150994	48740	58692	71679	37420	126408	103832	175678	184093	114786	75811	75492	47923	144444	28312	49846	51524	51465	46462	48823	49634	0	191832	58906	61036	45036	31265	123480	94236	52037	5698	0	1174	181186	214432	0	2842	66657	76926	92392	66808	1890	118526	84292	54038	68592	56338	35464	63784	98356	114102	86340	43206	0	54180	33014	132172	177072	153514	58282	47314	52667	36418	37954	1580	46399	72232	62478	53218	117972	38690	71506	114698	54910	51358	57532	53710	38008	40194	54554	84452	82212	146772	0	79606	88766	71914	66158	66940	66152	44472	71847	125336	56316	77220	0	42138	155308	Phytochemical	0.47619048	1.1904762	0.04761905
28	C21 H25 O10 N1	452.15512	452.15567	-0.040810615	452.1551	6492	6324	7050	6776	6514	3901	2470	5537	5113	20787	6366	2937	9632	1520	4692	3848	4255	8330	9486	20293	20548	7825	5877	6659	2866	14519	1194	5655	3171	2200	2905	3535	4183	2714	20160	3595	3251	2053	2317	11045	9152	2931	0	0	0	11629	14366	0	4938	3269	7508	4838	6849	0	7214	5957	3785	5544	2671	3227	3952	8907	10600	4576	1973	8413	3842	2908	15271	22949	21323	4118	2982	3696	3258	3365	0	2634	3078	3753	3040	6442	2829	11204	7281	3122	3765	4532	2811	3059	4260	3941	4855	6064	15869	0	6701	9793	3649	5035	5788	3488	2563	4875	7795	3036	4787	0	2080	8899	Phytochemical	0.47619048	1.1904762	0.04761905
8	C21 H25 O10 N1	452.15512	452.15582	-0.049531493	452.1551	127498	130046	101996	122538	36149	29064	28787	52864	50576	272710	78675	36558	142900	19279	37876	60606	42662	47120	54817	226286	274018	225672	46028	63203	20987	34555	55654	42672	49472	78368	45148	98064	52205	41343	338296	41145	50490	30270	102770	190120	205728	34377	785	0	0	78878	193662	0	55364	47084	65465	117258	64048	0	62869	34399	25412	95672	48591	54066	64945	66872	139506	50414	20883	52748	67592	52125	48644	50446	75742	47132	47491	91652	35205	41348	0	32313	50393	40312	36016	99452	32730	42991	46155	21321	43298	58176	35903	60912	33367	54399	145088	76547	189698	0	58399	118864	32867	45070	36774	49630	33712	77547	62709	81832	34057	0	57784	143832	Phytochemical	0.47619048	1.1904762	0.04761905
6	C21 H25 O10 N1	452.15512	452.1559	-0.05219965	452.1551	50610	49046	23781	21740	17046	11756	10772	20461	23564	52690	39642	26594	35813	8655	14758	51588	37210	22213	27241	37939	108652	47489	20290	21442	7743	10765	10347	14030	15939	16099	20337	19155	46934	15060	140700	15599	21527	30074	24676	26666	83984	14180	0	0	0	26327	44900	0	20583	15597	48380	51282	15339	0	33285	18469	11314	19423	13146	38228	23605	22145	34088	24387	7787	25560	15744	25733	17217	16783	28016	15900	16057	12808	8270	17859	0	11791	32900	16348	13454	16089	11722	13402	18638	10876	13481	11818	13407	27604	10374	22179	53632	33788	36552	0	23748	24758	13240	19476	20427	19071	23502	26373	19440	17044	16273	0	10625	71086	Phytochemical	0.47619048	1.1904762	0.04761905
26	C21 H25 O10 N1	452.15512	452.1556	-0.08798078	452.1551	7460	8325	8668	7137	7487	7206	0	0	10661	23646	8866	3802	16458	3387	0	5774	0	12910	11412	22778	28638	7994	6146	7109	0	18756	1586	6164	4913	0	3385	0	3927	6265	22870	0	4810	3501	4721	12390	12671	0	0	0	0	18533	20158	0	5029	0	8547	7950	9033	0	15960	10280	3835	4487	3287	0	6051	9442	14532	8779	2333	11725	3162	2801	17862	28324	26189	6309	3975	0	0	2518	0	3470	7177	5133	4988	9512	2906	10368	9683	0	2758	4486	3865	0	3463	5624	0	6713	13038	0	7707	6616	6769	6626	6210	0	0	5426	9434	4164	5756	0	2850	17000	Phytochemical	0.47619048	1.1904762	0.04761905
10	C20 H25 O9 N3	452.16635	452.16696	-0.12762065	452.1663	69178	68696	65790	59344	25685	29063	53982	95354	34504	55034	33952	54414	35055	15148	69393	73343	56096	50852	58922	66757	55798	117846	0	91943	57859	7838	48727	28612	77631	73950	83633	76555	96517	78297	71529	75772	95378	64142	64603	91763	63967	0	0	0	0	85695	65769	0	91173	76749	71935	61330	36583	0	50698	22979	27809	87216	101277	56870	93258	53340	40070	39609	27842	43789	41252	77398	15186	26887	22981	81979	70052	70825	49443	66478	0	53922	61631	41048	51366	40906	60213	33298	25945	30051	65400	42239	41759	93222	79450	98797	142483	41599	59474	0	77838	73483	18232	17873	15691	0	53573	102826	65377	82136	21793	0	51198	49605	Peptide	0.45	1.25	0.15
12	C20 H25 O9 N3	452.16635	452.16696	-0.109165244	452.16632	48056	42132	44979	58408	20415	26053	51846	79316	27494	33470	23414	36339	31188	9955	0	54350	52956	37938	45240	49597	46315	96598	57604	58356	51823	0	31889	17970	62046	42820	61240	59216	79879	56814	52937	58262	72164	51513	56476	65398	47715	26725	0	0	0	57502	56713	0	63679	63315	46749	46530	26244	0	38976	14711	22640	65347	86844	57616	53381	47203	29132	25908	17124	35640	32158	70285	0	22296	16404	61452	55126	56833	32071	45640	0	48086	46591	26975	38903	39244	46163	27409	18536	18535	52188	25947	34514	82097	48147	78617	108162	38985	29719	0	50756	50595	16752	10753	12817	69381	43347	62938	34016	66151	20605	0	50497	36986	Peptide	0.45	1.25	0.15
6	C20 H25 O9 N3	452.16635	452.1671	-0.08874826	452.16632	42779	41286	35307	36003	17597	16934	26286	46348	22484	38196	21129	28797	30075	7000	32332	53394	44720	30418	34228	42828	46538	63657	39251	55799	18324	3337	21451	17502	38002	41329	42351	43909	51882	34700	53928	37460	44873	31206	57378	36594	51230	23654	0	0	0	40144	55230	0	51016	38814	42204	41005	19678	0	27954	15119	14241	48458	32043	41106	53677	25441	30689	27120	18216	28686	25953	60300	8504	13460	15296	36376	37334	33507	20761	34677	0	26142	32836	26434	24416	21417	24517	18199	20164	17449	35129	27748	26071	69314	30457	54321	74190	32671	37537	0	38662	41836	11356	16312	15177	47886	28752	56746	28551	45938	15409	0	25295	38122	Peptide	0.45	1.25	0.15
14	C20 H25 O9 N3	452.16635	452.16687	-0.157426	452.1663	24513	31300	21004	22199	12359	17839	27297	37961	16844	17117	18114	24710	15610	7352	36699	35293	22920	24139	25047	23272	22526	51358	33988	41205	36151	6299	22395	0	33912	28951	28811	42600	50631	27209	27284	33913	40889	31013	26659	30395	17786	22246	0	0	0	25939	15423	0	30391	35270	28240	26758	18675	0	23093	7348	14570	43143	57908	19514	38649	26426	19766	21958	12574	20709	16840	31208	0	11798	10650	31322	27680	35555	23826	33024	0	30802	25889	0	23681	16127	25681	14238	12347	16264	31965	19326	19207	50379	36005	43290	65158	17280	18835	0	29324	26562	10606	8220	9517	40798	18739	45469	0	36485	10982	0	28909	20075	Peptide	0.45	1.25	0.15
4	C20 H25 O9 N3	452.16635	452.16718	-0.087439656	452.16632	9705	8802	10936	12239	5454	5133	5186	14549	7834	9326	6652	8814	10478	3059	9480	12736	16476	7233	10346	8103	11356	19840	10340	15368	5909	1401	6409	3593	7259	8093	9127	9145	14174	9375	14819	9503	12458	8122	26519	10361	15558	5732	0	0	0	11076	17899	0	13873	11502	11449	11201	6209	0	10214	6944	4969	11896	8178	12295	12840	7529	11223	8724	6254	8954	7460	20021	2937	3089	4287	11289	8389	10235	5075	7689	0	7931	11560	7711	8177	7036	6398	4916	8888	5979	10953	9162	9320	19756	8302	14003	19788	8385	10214	0	10956	11555	5387	8247	7956	13634	7474	12805	8408	14069	5316	0	6074	11428	Peptide	0.45	1.25	0.15
10	C25 H25 O7 N1	452.17038	452.17133	-0.02703015	452.17038	2411	0	0	0	0	1131	0	0	1123	10336	8021	0	0	0	0	1891	0	1924	1253	9285	11812	2733	1393	0	0	15489	0	17523	0	0	0	0	0	871	7627	1287	1125	0	0	3096	5100	857	0	0	0	5686	2648	0	0	1085	2259	0	0	0	1451	708	0	1171	0	0	0	3211	0	1156	0	0	0	0	11718	20297	22353	0	1132	0	0	0	0	0	1328	0	0	1062	0	3798	1532	865	1308	0	1017	1949	0	0	0	4962	4479	0	0	2427	0	0	0	0	0	0	0	2259	1520	0	0	0	Phytochemical	0.28	1.0	0.04
18	C25 H25 O7 N1	452.17038	452.17093	-0.12708472	452.17032	8808	10357	10165	8918	5666	4043	4374	4947	5205	34997	30997	1995	2969	5203	4494	7058	4818	7291	9496	38092	34773	12341	3239	5699	3551	60661	1694	27170	0	2717	4471	0	6597	0	22410	0	6120	2238	3499	23812	28537	4803	385	0	0	12720	14710	0	5207	3935	8773	9244	6315	0	5720	2796	4193	3778	3514	7249	3365	16786	4061	4131	3443	6144	8395	7017	47749	64568	95425	2716	1852	2446	5081	0	0	3649	4556	12126	5639	8670	2778	15818	5844	5095	6171	5981	6583	10888	3662	12432	10934	12754	19840	0	12067	11861	4376	5091	5778	3903	2335	5706	5372	3842	4953	0	4057	5981	Phytochemical	0.28	1.0	0.04
24	C25 H25 O7 N1	452.17038	452.1709	-0.04292977	452.17035	4950	4759	4087	5002	3331	3499	0	1904	2565	18432	23107	1549	3265	1625	0	4527	1921	2424	4424	11455	15856	5702	1626	3372	2468	35585	0	22119	2998	1941	2090	2092	2186	1911	16488	2823	3378	0	1416	15219	22892	1823	0	0	0	13410	14359	0	1228	0	5691	4181	4114	0	2438	3551	1656	3047	2067	3240	2808	11642	4903	3462	1867	5892	4882	1436	38059	34133	37108	2806	1220	0	1759	1194	0	1600	3127	9141	2331	8614	2542	11425	3889	0	4673	1526	4086	5985	4581	3783	2823	9620	7979	0	4726	6378	4042	3571	4496	2460	1400	2745	8053	2472	2336	0	2330	2534	Phytochemical	0.28	1.0	0.04
22	C25 H25 O7 N1	452.17038	452.17087	-0.10840542	452.17032	11235	12755	8796	12515	7892	5093	1462	4234	7904	33184	45426	1897	4202	8830	2889	6545	4366	5304	8500	32046	36174	12893	4485	6990	3166	56981	2022	38530	4104	4117	3719	0	5930	3260	36400	2891	4946	3829	5277	33056	33885	7682	0	0	0	22396	28724	0	3459	4266	8371	14167	6505	0	5886	4393	5384	6364	4792	5091	4520	21737	6631	8447	3756	7978	9125	5055	65944	69604	80989	3525	4468	1971	2780	2771	0	2122	5064	13331	5249	13104	4168	27515	7771	6690	8191	4664	6937	9853	11097	9142	13451	21180	27695	0	14296	11589	5852	6733	5871	5849	4707	7644	14904	3899	7580	0	4758	7311	Phytochemical	0.28	1.0	0.04
16	C25 H25 O7 N1	452.17038	452.17096	-0.16384287	452.17032	5924	6870	8531	0	4136	3003	3547	3166	4423	24129	18113	2099	2499	3302	3379	3502	1672	5006	3788	20402	18261	9361	1816	5456	2160	46178	1380	18001	2471	1925	3175	0	2990	0	23087	0	2934	2339	4477	14530	19494	2826	0	0	0	9278	12460	0	2917	2542	7440	4705	2106	0	2743	2680	1592	5436	0	3395	0	8591	2538	1961	1946	3956	4220	4143	38233	52474	56789	2857	2801	0	3829	2619	0	1088	2460	9992	2343	5254	0	13780	4406	1245	2316	2862	0	0	7478	4989	0	7611	14406	0	6645	6036	2742	2665	2334	4385	1641	2036	0	0	3039	0	3408	2571	Phytochemical	0.28	1.0	0.04
16	C21 H29 O6 N3 S1	452.185	452.18567	0.34451962	452.18515	2203	2135	0	0	0	0	3248	0	0	4872	0	1259	0	0	2029	2737	1746	0	0	2480	2585	1898	0	0	2018	0	1446	0	5237	1375	3182	0	0	26696	2686	2169	0	0	0	2793	0	0	0	0	0	1926	0	0	5536	2521	0	0	0	439	0	0	1124	1538	0	0	0	0	0	1215	0	0	0	0	0	2565	0	37485	3510	1352	0	5209	0	2502	0	0	0	0	0	1500	0	0	0	0	1634	0	0	2075	0	0	0	0	2896	1986	0	0	0	1632	0	0	0	0	1051	0	0	0	Peptide	0.2857143	1.3809524	0.14285715
24	C22 H29 O9 N1	452.1915	452.192	-0.13156472	452.19144	30824	29578	34913	37788	43662	33231	9301	33789	40399	79147	32351	21727	0	18172	27071	35562	21833	58438	52558	76759	96995	31574	33479	40455	17034	66657	10087	25316	28232	27993	24291	25134	27688	27780	73050	28828	29938	19005	22861	43137	38376	20617	0	0	0	55998	53235	0	27637	29601	42510	35841	0	0	52412	35561	16248	29972	22242	17258	31519	37887	50074	37605	16564	44946	18689	15882	67178	97084	102023	37181	27813	24711	21812	23442	0	23999	30376	15112	28040	31807	15432	33171	55694	22248	21749	19697	22336	20170	25092	25543	37103	20102	40706	0	39081	44098	26523	29623	30290	28961	0	31949	34293	28982	32314	0	20068	69716	Phytochemical	0.4090909	1.3181819	0.045454547
4	C22 H29 O9 N1	452.1915	452.1923	-0.14455852	452.19144	9273	9880	8132	8567	4220	5754	4016	9201	6721	10175	7333	5387	9967	2877	6701	7248	8467	5282	7832	12062	13011	13921	7378	10458	4782	4798	4053	5082	8102	8321	7721	7285	8148	5719	19886	7524	8675	6210	9663	8361	10453	6087	0	0	0	9494	11517	0	8687	9721	7767	7814	4310	0	7913	5216	3446	8538	6870	6091	9396	6844	7083	6625	3009	7023	5737	11511	5327	6524	8929	7196	6887	10965	4492	6256	0	4671	7996	7281	6246	5063	5884	5003	4792	4173	6794	3892	5735	14684	5135	10937	28572	8093	9897	0	8660	9993	4592	7797	7153	10777	5469	12082	6847	7502	3679	0	4864	7210	Phytochemical	0.4090909	1.3181819	0.045454547
28	C22 H29 O9 N1	452.1915	452.19202	-0.1386872	452.19144	9641	6227	6670	8322	8969	6193	3487	7808	8680	18982	5548	3734	17242	4263	4085	7991	3575	10800	10751	19317	22346	7121	6477	10307	3321	22027	2392	7391	5218	6118	5631	5492	5735	6861	16968	6638	7855	5443	6156	10855	10172	3944	0	0	0	9722	11238	0	5997	6102	10372	6924	5576	0	9816	5640	3226	9166	3217	2838	6810	5727	9761	7031	3790	7300	5916	4879	17611	35898	29801	5688	6818	6032	5345	6076	0	5070	8240	3697	5616	4392	3065	8647	6076	3925	6173	3869	4103	5050	5959	6920	9268	4976	7475	0	6916	10386	4950	4826	6315	8344	4033	7497	4942	6350	5187	0	3196	10414	Phytochemical	0.4090909	1.3181819	0.045454547
8	C22 H29 O9 N1	452.1915	452.19223	-0.13172346	452.19144	49487	52583	79012	109446	22520	23322	51996	55451	31390	187068	46442	53318	41463	14561	36326	90822	67482	27746	40941	190332	171238	155476	38784	62089	55740	28244	46342	35611	79930	86946	39904	54744	90294	78170	238492	43869	50668	52202	71182	72837	104092	23537	0	0	0	57459	54889	0	55249	96820	48361	103728	24781	0	39304	23178	16721	96740	70278	66652	48773	43122	43312	28343	13550	34617	28772	80554	34983	54395	54339	88928	84058	42736	50484	40284	0	60768	36146	36508	53524	28980	62002	36047	23988	14204	54606	20153	29390	93742	49850	67888	70100	42181	70325	0	51070	48950	22719	23216	28023	96322	49802	124690	20627	87548	17106	0	59654	42312	Phytochemical	0.4090909	1.3181819	0.045454547
22	C22 H29 O9 N1	452.1915	452.192	-0.08921316	452.19147	118740	0	112849	112865	0	94046	32889	0	114922	262788	102993	64399	145322	63593	86555	97339	60140	161466	131995	249825	253352	112787	99747	120182	72426	209704	36188	93096	99253	0	88371	89992	91573	94429	240703	91724	109254	59021	51778	150038	111427	65011	3505	0	788	163449	147280	0	91137	96475	116664	105443	84136	1244	139939	103626	54457	0	75831	51848	0	109453	140089	106186	43815	0	77321	48973	189840	296809	231137	97255	87737	85332	59736	78041	790	0	100887	54477	80523	83899	55844	99442	123703	67365	78954	0	62383	61236	86481	113384	108138	71283	118288	0	108156	0	89146	84288	95677	0	57627	108514	100173	87770	85624	0	66644	157418	Phytochemical	0.4090909	1.3181819	0.045454547
14	C22 H29 O9 N1	452.1915	452.1921	-0.07880426	452.19147	263462	267715	269152	240528	150733	146783	186426	361183	176232	402507	225427	176100	209436	109901	237029	305905	235481	230424	261748	518733	511934	352747	270675	386019	230550	461580	159664	226853	301779	308975	244396	303744	311865	239970	475328	319819	243733	190290	211423	359193	290882	166722	5953	756	537	348506	318455	376	275972	313845	250642	245270	148806	974	217019	130643	107761	281681	325805	221404	358490	250044	193388	177821	100801	170574	159967	197487	409258	507591	401418	278477	257684	337231	240355	261771	0	201815	212040	209375	184436	210418	211130	225905	196285	141659	0	157734	163639	261793	253744	250903	387591	192137	287579	2022	264537	313589	130848	133434	149129	293540	186642	389380	252073	254001	149052	600	179273	200375	Phytochemical	0.4090909	1.3181819	0.045454547
12	C21 H29 O8 N3	452.20273	452.20334	-0.13702603	452.20267	30036	24857	29199	34122	10340	14680	24457	37135	12168	20202	12035	18505	12151	4685	34209	26101	20026	18634	24553	27755	22190	42803	27264	40339	35352	4384	18211	23252	41220	23696	36513	34946	53896	30155	25747	35693	38650	26865	27969	30668	18524	16611	0	0	0	32295	12912	0	35118	24299	31340	26477	14722	0	18547	4802	9743	44655	33345	24444	33510	17844	13249	11878	8298	11969	16700	30479	0	13341	6835	33274	28049	33398	10636	26928	0	26440	23025	0	20295	17854	25835	13786	6848	10845	24111	15035	16886	36438	250369	193840	62550	19788	20331	0	28581	30012	10481	3713	4240	33723	21907	34263	0	34946	9274	0	26895	14348	Peptide	0.3809524	1.3809524	0.14285715
8	C21 H29 O8 N3	452.20273	452.20343	-0.13224876	452.20267	39464	38001	35922	35399	12969	21957	22042	44505	10906	32163	17236	20960	14359	5708	29913	40865	21478	18032	25891	37029	34480	53791	29386	47832	28352	5851	22116	46103	34432	31202	33904	40471	35068	29586	37433	34926	40466	25432	28839	43592	29621	17899	465	0	0	38745	29647	0	44010	33490	39103	41092	12861	0	20429	6631	13044	39903	27155	17739	38734	20531	17213	16208	11517	17560	18928	28811	6780	17757	12013	39117	31712	29943	17966	29543	0	24386	28704	28482	21550	17707	24241	20864	8778	13736	24416	17684	20617	47205	404181	300488	73013	25569	38969	0	38157	40991	9354	7556	5518	36637	19915	41378	17175	38195	8239	0	24888	19357	Peptide	0.3809524	1.3809524	0.14285715
10	C21 H29 O8 N3	452.20273	452.20337	-0.15219535	452.20267	49987	47804	51291	47663	11621	19611	22292	42289	11577	38967	18364	20980	14019	6499	34453	38571	21136	15726	21715	38365	33446	57195	26408	51270	39627	4764	23577	92171	40046	36053	40148	46453	49666	33120	37845	37218	49746	27674	26231	37723	22967	13711	0	0	0	43166	27657	0	45762	31602	47019	48626	19361	0	18080	9103	10931	49613	36364	19539	34228	20683	13112	15637	11973	18191	18026	34578	0	19805	9974	35156	34944	35377	20938	33206	0	27900	27608	26129	25270	21421	29762	16750	5821	11204	26664	17643	16808	45734	1140933	639227	78337	30941	38547	0	45093	44208	9409	6149	7099	38163	24449	52764	15859	38845	9324	0	33676	18897	Peptide	0.3809524	1.3809524	0.14285715
16	C21 H29 O8 N3	452.20273	452.20322	-0.08689534	452.2027	7301	9038	7666	11067	3835	6824	11487	14020	5164	0	4577	7897	3898	0	10883	13842	6505	10815	5145	6232	6070	11726	7476	21923	13667	0	8382	0	13369	12565	11175	16881	13684	9018	0	13889	16448	9156	5801	12821	0	6587	0	0	0	9384	0	0	16182	9833	8081	0	4934	0	0	0	5171	14563	0	4825	19469	5538	0	4376	3366	7384	6630	8177	0	0	0	12437	9232	9871	6187	8594	0	11938	11187	7152	6762	4033	9000	4768	0	4480	12690	5469	9370	0	16643	21235	0	8123	8391	0	0	9864	0	0	4042	11332	9753	13544	0	0	0	0	11662	5992	Peptide	0.3809524	1.3809524	0.14285715
4	C21 H29 O8 N3	452.20273	452.20355	-0.10812892	452.2027	9019	11175	9098	10104	4032	4523	5738	11534	5125	7418	4676	6128	7137	2483	10686	11500	8741	4866	7911	8662	7794	14855	10074	14175	11798	1121	6133	0	9347	8225	9546	11161	14447	7616	9922	10733	12942	7790	13403	9123	9082	5643	0	0	0	10978	9476	0	11138	10466	9982	8266	6325	0	9389	4727	4360	10867	9933	6271	11907	5795	6936	6230	3095	5449	5914	11926	1616	3150	2354	9204	7100	11177	4360	7223	0	7578	9729	6822	6935	5823	7951	4423	4243	5488	9605	6305	4953	16453	18010	13129	26530	6989	8576	0	9566	10082	3874	3565	4859	10735	5885	14420	6359	13036	3755	0	7511	9508	Peptide	0.3809524	1.3809524	0.14285715
20	C21 H29 O8 N3	452.20273	452.20337	0.34372103	452.2029	0	0	0	0	0	0	0	0	0	0	8242	0	2498	0	1552	0	1512	0	0	0	0	0	0	4253	0	0	0	121191	0	0	0	0	0	0	3070	0	3192	0	0	2322	0	0	0	0	0	0	0	0	0	1863	2864	3861	0	0	0	0	0	0	0	0	0	0	0	2787	0	0	0	0	0	0	0	0	0	0	0	1926	0	0	0	7879	0	0	2177	0	0	0	0	0	0	2223	14035	7379	0	1619	0	0	1926	2370	0	1946	1483	0	0	1637	0	0	0	0	0	1966	Peptide	0.3809524	1.3809524	0.14285715
6	C21 H29 O8 N3	452.20273	452.20346	-0.14882141	452.20267	24815	28700	24595	25054	10778	10895	19167	30697	11367	21285	8398	14094	13728	5447	24414	34127	19479	16360	20454	27209	22014	37374	19542	35559	20918	4038	15835	11925	28848	24468	25672	27811	39893	26706	28510	27757	32568	18207	19764	25533	21867	13203	0	0	0	24912	19961	0	32682	24928	26493	22657	13984	0	21619	7297	7233	37649	19473	15838	33631	15040	13778	11954	7044	12216	14956	26686	3667	11913	7130	27283	25637	23025	13521	21735	0	19544	18194	14730	16828	12532	16241	10483	8553	10147	24730	15135	15554	37199	63458	56476	59692	15922	24976	0	26556	21196	5866	6130	6809	32650	15996	35293	17164	33098	7500	0	20210	18531	Peptide	0.3809524	1.3809524	0.14285715
18	C26 H29 O6 N1	452.20676	452.20724	-0.22832868	452.20667	4684	3576	5373	4542	1824	3445	2981	6742	2952	5532	11783	2188	0	2186	2957	2655	5603	2405	2020	12885	18620	3381	3369	6878	3783	33085	4855	14986	0	2202	2280	3385	6834	0	7538	3336	6362	3181	6758	10084	17572	3005	0	0	0	3621	6799	0	3536	3846	6413	6170	2586	0	0	1280	0	7371	2490	5071	3856	5511	0	1657	1082	2668	4476	8154	25797	29025	40460	4180	2081	1658	5562	0	0	2713	3935	6639	3253	2948	1843	9060	1430	2011	6823	4985	2492	14357	5579	5424	5407	6019	7108	0	4872	4654	2257	0	2143	4200	2205	2556	0	2985	1396	0	4665	0	Phytochemical	0.23076923	1.1153846	0.038461536
24	C26 H29 O6 N1	452.20676	452.20724	-0.09071946	452.20673	9090	10111	7783	9871	4745	3788	1589	4585	3540	15237	25986	2061	2732	5271	4371	7151	6698	3971	6917	19995	19273	6424	3384	7805	5073	47865	2032	26076	4925	3945	5484	4146	4114	5443	13611	6423	5481	2906	5883	20598	25724	7286	0	0	0	15252	16116	0	7044	6216	8110	8629	3233	0	1400	2859	3930	8503	3743	4540	6927	12040	4411	3611	2661	4409	8267	4696	42008	32378	49573	5415	4874	4580	1793	4474	0	4148	6449	12918	2663	7986	4740	16760	4614	0	4037	6505	6230	12774	8517	8322	12208	14153	10211	0	9171	9621	3895	3286	5731	6314	2229	7726	8705	6283	5072	0	5993	3013	Phytochemical	0.23076923	1.1153846	0.038461536
22	C26 H29 O6 N1	452.20676	452.20724	-0.17166299	452.2067	8691	14032	9790	9842	6110	6744	3866	8895	4485	23764	35125	5898	5203	7461	5267	8180	7863	4083	13001	32564	27989	11489	7992	11161	10233	68637	5928	34351	10750	6369	9713	11082	11693	6302	23137	6429	10453	4628	8694	29219	37178	10937	0	0	0	16412	13980	0	9893	8591	12720	12265	6272	0	4553	4529	4301	10363	8002	11775	11199	18130	5164	2881	4155	4270	7378	11102	59443	43597	82421	10621	6057	4969	5688	8289	0	4744	11422	14507	7849	11164	7938	27187	4690	2914	12307	8018	9812	19001	11239	14771	21439	13848	14303	0	14646	12730	4829	5251	3592	5999	6067	16422	9230	12822	3918	0	11085	5108	Phytochemical	0.23076923	1.1153846	0.038461536
20	C26 H29 O6 N1	452.20676	452.20724	-0.18875994	452.20667	11984	7337	8724	7245	4303	2967	4798	7027	5056	11140	27890	4204	2483	4910	5947	13052	8051	3852	5157	21636	19464	10679	4433	9555	6584	47649	4142	23250	6019	3386	3669	7077	9091	5916	15571	5264	6597	4369	7242	23811	27090	4409	0	0	0	8778	11722	0	6311	5686	11357	10150	4129	0	2957	2167	3304	8805	4130	5912	12243	11558	4970	3423	3411	5663	8312	8321	41715	42598	66092	6709	3843	4841	5474	3643	0	4210	7016	13199	3590	5771	7713	17584	4774	3408	12227	6245	4638	23566	11377	9740	22848	11922	10357	0	8285	9316	3530	1827	2496	11216	5577	9022	5592	11293	3190	0	6877	2905	Phytochemical	0.23076923	1.1153846	0.038461536
26	C26 H29 O6 N1	452.20676	452.20724	-0.044830143	452.20676	3297	3078	3323	3184	3280	0	0	0	2265	4214	8420	0	0	0	0	0	0	0	0	5706	0	2424	0	0	0	13150	0	10108	0	0	0	0	2880	0	2482	0	0	0	0	5878	7876	0	0	0	0	0	6260	0	0	0	2844	2971	0	0	0	0	0	0	0	0	0	3257	0	0	0	1699	3568	1947	20010	11811	18952	0	0	0	0	0	0	0	3448	0	0	4349	0	6594	0	0	0	3704	0	4740	3426	3004	4515	2086	0	0	3559	0	0	0	0	0	0	0	0	3948	0	0	0	0	Phytochemical	0.23076923	1.1153846	0.038461536
4	C20 H29 O7 N5	452.214	452.21432	-0.06642304	452.21396	3260	2249	1827	2207	0	2393	1654	2585	1063	0	0	1996	3364	0	1908	2135	2610	1379	1561	0	1041	1738	3187	4124	1752	289	1375	8509	1480	1911	1780	0	2186	0	2897	0	2715	2626	3272	0	1633	1151	0	0	0	0	1406	0	1765	0	2160	2085	733	0	2213	1617	617	2244	1248	806	2530	0	1617	1116	0	1439	1168	0	0	0	0	1476	0	1802	0	1337	0	1049	2392	60828	1229	762	0	896	1616	1275	0	1516	0	8592	21010	10154	6275	2165	0	0	0	2690	1197	1834	1513	2248	1369	2219	0	3258	1293	0	2398	4784	Peptide	0.35	1.45	0.25
8	C23 H33 O8 N1	452.2279	452.22855	-0.16089639	452.2278	30608	29928	22274	32441	9522	11839	20362	42347	9722	38867	17055	18834	13963	6218	21938	29731	25438	13134	22640	48699	38042	37336	24424	34841	19096	14014	16588	16997	37533	30356	34682	40936	37344	28949	49951	32080	39303	17986	29155	35390	17442	12755	0	0	0	33732	20542	0	39845	32940	30432	29397	10266	0	17018	8747	7223	33570	7616	8712	34257	17446	13170	12591	5408	14971	15000	27636	16951	30313	22829	34390	32745	31051	20912	31733	0	22971	18947	16374	16655	10052	12556	17916	5538	8315	20191	10357	14585	30936	39464	40550	46399	16189	30597	0	29809	25851	8501	8141	8760	35939	18660	41462	0	30708	4906	0	18953	14598	Lipid	0.3478261	1.4347826	0.04347826
10	C23 H33 O8 N1	452.2279	452.22852	-0.14313915	452.2278	40523	35492	38862	34622	15506	17225	28794	51194	14950	55016	24024	25948	24014	11394	30096	43939	29942	20456	25413	68749	59036	51610	31595	51883	32008	26560	24023	20316	42944	44799	36590	48991	60857	42891	73160	45719	55395	22571	32532	45853	28480	14342	0	0	0	42068	28184	0	49623	40843	40151	35093	14529	0	25080	13849	11010	50664	13337	14336	35574	24020	19542	14990	7388	17557	19392	32704	21151	39066	33913	44741	40958	47185	33954	38306	0	29345	28859	19509	26654	14568	17178	22392	12399	12088	27140	12372	18304	44022	57628	46329	67131	24133	43879	0	41978	39402	9155	11160	13977	44911	22000	55339	20419	38418	10842	0	26798	20763	Lipid	0.3478261	1.4347826	0.04347826
12	C23 H33 O8 N1	452.2279	452.2285	-0.14776644	452.2278	46217	40189	40456	40725	25147	18231	45076	72746	25303	53743	25307	25057	24927	12933	40192	50806	53160	25170	37672	61781	66437	58322	42601	62835	38085	39654	23987	32329	60791	46632	53448	49300	59619	42084	81981	49673	43083	39260	48352	52015	34280	24276	597	0	0	52517	31480	0	51716	50425	40102	39657	22590	0	29122	21319	17436	56148	22558	37603	40404	27559	24370	23084	13810	27907	22250	44626	25976	64878	50411	40243	45268	55999	37508	45926	0	39524	42614	19460	36159	26141	29106	29472	24894	18696	42127	13672	23165	77998	47229	48277	65675	29350	35880	0	46758	43882	20419	18006	21635	52742	30739	50166	0	47801	18988	0	38175	26666	Lipid	0.3478261	1.4347826	0.04347826
10	C22 H33 O7 N3	452.23914	452.2398	-0.003147791	452.23914	17198	21103	15143	13713	1923	6278	4792	5937	983	5524	2944	1730	2612	0	5474	5018	3726	2676	4689	3978	3155	8358	4202	8574	8637	0	5031	46336	7199	3074	6932	6089	13057	5880	4999	5808	7279	4192	4612	5072	0	3250	0	0	0	5766	0	0	9666	4473	15268	15400	2777	0	1310	627	1749	9689	0	0	0	1495	0	1120	855	3982	2279	4414	0	2251	1663	3559	3795	4228	1940	4176	0	4184	4733	12199	3259	806	1136	2095	0	1044	4826	2405	2664	10243	777300	768242	13531	10122	7790	0	16388	14892	0	837	1038	7508	3723	9128	0	6816	1227	0	5838	1262	Peptide	0.3181818	1.5	0.13636364
8	C22 H33 O7 N3	452.23914	452.23978	-0.039641276	452.2391	7209	7723	4939	7579	1905	6209	3121	7684	3313	3743	1774	2737	1291	0	5792	8191	2369	1829	3190	6821	2262	8095	5785	8350	9232	0	2171	18888	5826	5400	5755	9506	5922	4408	6946	8139	8726	4339	4664	7444	1677	3006	0	0	0	3026	1983	0	9342	6321	8369	9404	1727	0	2396	0	1392	7143	937	0	7071	1434	2735	1367	0	2050	4298	4494	0	3654	1730	6292	5876	5097	3238	4910	0	3259	4227	4990	3249	1473	3072	3383	0	0	4795	1611	3276	9227	157094	158627	13761	2180	5116	0	7520	6735	1016	1534	0	7985	4461	5150	0	6688	0	0	5525	2056	Peptide	0.3181818	1.5	0.13636364
12	C22 H33 O7 N3	452.23914	452.23965	0.02167283	452.23914	9293	6205	7890	5890	1180	2891	0	4201	1138	1719	0	2743	0	1656	4098	4309	3266	1725	2418	3952	1473	4226	2573	0	4468	0	1699	15714	2788	2387	5718	4599	4694	4138	3102	3646	6688	4264	3931	2784	0	1224	0	0	0	1822	0	0	5340	3236	7210	4954	1929	0	1334	0	1018	3885	0	0	0	0	3100	1097	1282	1309	2152	0	0	2677	0	3940	4085	2575	1813	3589	0	3877	2985	0	1848	1425	2494	1218	1402	1170	3719	2323	2989	6607	293634	300500	7850	3556	2969	0	5808	9181	1511	0	978	4354	3671	0	0	5015	0	0	3048	1387	Peptide	0.3181818	1.5	0.13636364
22	C27 H33 O5 N1	452.24316	452.24362	-0.1665493	452.24307	7377	4312	3584	4459	0	1423	3730	2873	0	4305	12348	1701	1903	0	2374	5593	9634	2508	0	8688	10510	4096	3754	6900	6645	23848	2847	13739	4156	3204	4219	5373	6556	2741	3129	3903	5723	3013	4997	5644	11594	3374	0	0	0	2487	5133	0	5883	5313	3151	5183	1700	0	1882	0	3462	8158	2863	5888	5867	2344	1581	1972	2017	0	5045	9696	18259	15271	18932	3771	2788	2968	4798	4604	0	3105	6318	6285	3237	5636	3387	6621	2113	2414	10303	4250	3874	16458	12523	6986	14240	5213	4660	0	5006	3662	0	2787	0	6749	3004	7296	3021	6342	2384	0	7672	0	Phytochemical	0.18518518	1.2222222	0.037037037
24	C27 H33 O5 N1	452.24316	452.2436	-0.17204934	452.24307	6750	7273	5953	5568	3687	1985	2610	7465	2211	4241	13192	4798	2621	1782	3888	9914	7209	1831	4140	9521	9290	6939	5194	9221	7636	34166	1772	14871	4831	9094	6923	6836	8935	6784	4015	6971	8672	4818	7364	10359	13824	8368	0	0	0	6396	9132	0	8099	6519	6463	8544	3894	0	0	2439	2001	8692	3183	6174	6556	6533	1365	3388	1449	3758	10510	7559	27702	13812	22048	3961	3440	4995	5128	7539	0	5269	5428	8073	4453	5159	6051	9128	2525	0	9891	5018	5345	12436	10778	8477	12676	6803	6640	0	5752	8210	3219	3625	3065	9506	3678	7624	4544	11892	3501	0	8845	2143	Phytochemical	0.18518518	1.2222222	0.037037037
2	C21 H33 O6 N5	452.25037	452.2509	-0.4079283	452.25018	698	0	0	0	535	0	0	643	0	0	0	694	790	0	0	343	0	0	464	0	0	0	343	0	0	0	0	2993	0	472	484	0	527	442	0	467	0	414	658	0	0	0	0	0	0	0	0	0	0	0	604	0	301	0	0	0	331	0	0	0	0	0	0	292	0	0	0	783	0	0	0	869	509	0	0	0	0	0	437	21093	376	0	0	0	295	0	747	0	0	1226	19833	4100	0	2060	0	0	614	0	0	0	0	0	0	307	0	0	0	0	0	694	Peptide	0.2857143	1.5714285	0.23809524
8	C24 H37 O7 N1	452.26428	452.26492	-0.13098115	452.26422	7431	8985	8318	8770	806	2600	5576	13777	0	7312	3675	6148	1651	1212	7704	14027	6676	2160	2347	10756	7212	9644	6108	11645	9593	2326	5405	3650	12550	11320	9655	13236	10610	8433	8114	12566	12094	6655	10075	5291	2337	4028	0	0	0	5656	2918	0	16761	14848	8700	8130	3070	0	1113	564	1361	13029	0	0	10314	2294	1900	1363	2685	2296	2842	10619	0	4858	3132	10725	9869	11705	7845	11418	0	6425	5897	4601	4483	1179	826	2509	0	0	15729	2635	2186	20367	19966	10740	17977	4070	6739	0	9154	7768	1034	746	0	8661	7353	8194	0	9080	0	0	8749	933	Lipid	0.29166666	1.5416666	0.041666668
18	C24 H37 O7 N1	452.26428	452.26477	-0.17647186	452.2642	51547	44872	37213	35368	37242	24622	40483	54443	25461	27200	26855	38467	28059	21099	40930	71577	71967	35301	54055	51535	51695	34895	40229	67534	34735	60657	39961	23027	52633	64828	39453	69596	56125	49213	25020	59737	53783	34754	61937	27508	33290	37640	1271	0	0	33242	35484	0	57577	51497	42805	47637	34099	0	37675	35521	27108	56579	25432	37863	55544	18961	32175	26685	25165	28515	32360	74684	52273	59021	61203	37231	43199	59898	74409	46832	0	31344	43853	36266	41395	24196	32196	25695	44748	26063	58642	32338	30434	69863	56839	42163	61150	21509	40153	0	49334	42056	24897	32038	42189	71772	28009	53888	19847	45659	32403	0	34423	24539	Lipid	0.29166666	1.5416666	0.041666668
16	C24 H37 O7 N1	452.26428	452.2648	-0.17860547	452.2642	15777	19680	16660	19266	8131	7367	16980	25415	6953	15284	11361	16277	4716	7046	17839	31207	30084	8959	15007	22384	13482	16170	17937	27453	14319	16379	14491	10849	23364	23443	24583	27484	22549	20382	15788	28334	22766	15821	35384	12014	10832	9791	404	0	0	17800	15743	0	23841	26006	12486	17458	8060	0	6903	11993	7907	21877	18016	19765	25426	8432	6540	7595	5971	9865	9619	27554	17425	17157	15636	20571	18270	31113	27484	21796	0	10573	18365	14696	14493	6809	9631	8976	13000	9026	22838	7478	11323	29449	35085	14414	0	8398	14734	0	20679	21638	9414	9702	13159	29545	14803	25436	25543	17235	14547	0	19741	6015	Lipid	0.29166666	1.5416666	0.041666668
26	C24 H37 O7 N1	452.26428	452.2648	-0.11052096	452.26422	40044	37431	39524	38267	45066	34883	22539	45802	42647	52123	32662	16691	60003	27931	25846	39239	22262	55175	71243	78329	75289	40366	32909	53018	32407	87961	15511	44159	48676	47802	37134	37701	55449	36260	73267	51177	61727	27299	20750	55953	40167	32704	0	0	0	42547	29879	0	42149	31809	36239	42013	37550	0	56219	47734	22184	51806	38854	17653	45409	32730	44527	42082	22288	50171	34581	26172	72682	111131	101131	42526	37510	38154	25196	38824	0	32061	31423	25530	23530	20842	33272	36708	38267	25136	41357	25956	33487	26095	56434	64652	56531	26093	45024	0	40641	45174	27599	43601	45669	58800	21817	44169	31738	39464	33693	0	28600	44487	Lipid	0.29166666	1.5416666	0.041666668
10	C24 H37 O7 N1	452.26428	452.2649	-0.11328792	452.26422	8071	12216	9868	11349	2390	4195	10369	21262	1207	12347	3719	7982	2449	1955	10695	13653	8530	3016	4078	14775	11161	9481	6733	8801	13193	4109	7698	6995	18001	14416	17833	19003	21785	11570	12928	17041	20037	7783	8562	9294	2725	3613	0	0	0	4907	4521	0	18173	14204	9831	11579	2682	0	2160	0	1858	19840	0	0	17965	3442	1480	2021	1272	3034	5193	7856	0	6897	5891	15585	13897	15546	9289	15434	0	9757	6290	0	5243	1199	1234	4750	1869	1267	17352	2711	4792	27323	29887	10689	24028	8338	12350	0	11422	10470	1337	1252	1379	16173	8597	18838	0	10493	1618	0	8689	2813	Lipid	0.29166666	1.5416666	0.041666668
14	C24 H37 O7 N1	452.26428	452.26486	-0.13122833	452.26422	11052	13055	7869	10319	3428	5279	11354	19037	3830	9332	3036	9286	3954	3615	8697	13870	13242	3609	4022	9365	9853	7883	11750	18990	13180	8077	9028	0	18232	19184	10958	15486	17893	11515	14095	20594	13874	8497	14014	5305	4022	7380	0	0	0	9729	8762	0	18357	13337	8690	8310	2205	0	5574	3052	4611	17671	0	0	0	5186	2186	2148	3111	3450	4467	14111	0	9776	8078	11707	14435	18597	15694	17820	0	12958	8301	0	6516	4275	2937	3189	3235	3852	17890	5317	6599	19408	21042	6172	19074	6053	4681	0	13928	7642	1803	4451	3334	20257	8882	10712	0	11112	1367	0	8369	4855	Lipid	0.29166666	1.5416666	0.041666668
28	C24 H37 O7 N1	452.26428	452.26474	-0.16658859	452.2642	5575	4479	5502	3616	6976	2244	2697	5205	3245	5673	5237	1377	8326	3025	0	4862	5825	6002	7112	6063	8105	4584	2824	5777	4231	14784	3511	8917	3466	4444	3361	4593	5450	3299	10689	4346	3655	2235	4748	4610	6521	2686	0	0	0	0	4703	0	3723	2707	4973	5167	5630	0	5779	7120	2438	4860	1674	2298	6160	2446	5658	3997	3032	7917	6050	4057	12597	21065	23756	2347	2885	2725	4021	3236	0	2173	5878	2532	2732	2374	3196	5334	6146	2248	6178	3069	2301	6774	5065	6630	7390	2723	3017	0	4708	3591	2450	7444	11954	5823	1480	4222	2374	5192	3335	0	3443	3500	Lipid	0.29166666	1.5416666	0.041666668
12	C24 H37 O7 N1	452.26428	452.2649	-0.07394988	452.26425	6501	10409	10985	11125	2807	4968	9045	15767	1082	4642	3432	8610	2021	0	8927	15909	8338	3878	3858	8999	8848	6773	9453	9380	15759	5284	8173	0	16178	14111	16164	14875	17254	11163	14241	14640	16083	10446	8516	7556	0	5456	0	0	0	7609	3549	0	16795	14062	9271	9718	3250	0	4589	1761	1038	13523	0	0	0	2558	0	1675	2244	2185	7764	9905	0	7998	7068	12296	10585	16505	7403	9770	0	11798	7817	0	7222	1650	1720	6402	1788	2750	23395	3011	5295	30026	19589	6421	22047	5179	6951	0	7135	9111	0	2717	2117	12397	10428	12707	0	14322	0	0	11782	3769	Lipid	0.29166666	1.5416666	0.041666668
16	C24 H38 N5 S1 Na1	452.28183	452.28247	-0.12580618	452.28177	2264	2424	2791	3700	0	0	0	0	0	2871	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3915	0	0	0	0	0	0	0	0	0	0	1605	4399	0	0	0	0	0	0	193032	48755	0	11496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47913	0	0	0	0	0	0	0	0	0	0	5652	0	0	2475	2132	0	0	0	0	0	149525	104046	0	0	0	0	0	Organosulfur	0.0	1.5833334	0.20833333
10	C25 H41 O6 N1	452.30066	452.30118	-0.12109859	452.3006	1593	2496	989	2213	0	0	2033	28143	0	0	0	3970	0	0	2371	8377	4317	0	0	0	0	0	2002	1829	5444	0	2197	0	69640	7062	11375	6563	3462	6661	0	29324	2919	1619	3409	0	0	1265	0	0	0	0	0	0	14014	23192	1291	1716	0	0	0	0	0	4700	0	0	0	0	0	0	0	0	1281	3749	0	0	0	9584	9411	10799	2608	4379	0	3191	1370	0	1526	0	0	0	0	754	5294	0	1603	7235	19901	0	3543	0	0	0	0	3070	0	0	0	2825	2673	2754	0	1307	0	0	2694	0	Lipid	0.24	1.64	0.04
6	C25 H41 O6 N1	452.30066	452.30127	-0.26666245	452.30054	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4828	0	0	1145	0	692	0	2713	0	0	0	0	0	0	0	0	0	0	0	0	2686	1180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	701	892	25020	1293	0	0	0	0	0	0	0	0	0	0	0	0	695	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.24	1.64	0.04
12	C25 H41 O6 N1	452.30066	452.30124	0.059647616	452.3007	5126	4846	7378	5782	0	0	2342	4088	0	0	0	3032	0	0	0	7810	11437	0	0	1932	1479	0	0	0	4729	0	0	0	7615	103769	39168	60231	9710	4849	0	41077	7548	2183	9704	0	0	3488	0	0	0	0	0	0	106215	6795	8088	3438	0	0	0	0	0	14576	0	0	0	0	0	0	0	0	3069	15465	0	0	0	5632	11612	12252	39255	71674	0	4224	1488	0	1052	0	0	1109	0	883	3696	0	9853	3966	2981	0	2568	0	0	0	8750	6903	0	0	0	3464	3691	0	0	0	0	0	1355	0	Lipid	0.24	1.64	0.04
22	C25 H41 O6 N1	452.30066	452.30112	-0.19470973	452.30057	11008	14958	14612	14104	14556	5174	14399	13040	8187	7233	9051	8541	5883	10057	11737	27823	25275	12005	17755	12810	12340	6818	9381	11630	16405	13800	14142	11195	17749	15323	13435	18031	22415	12305	7260	25898	18244	10079	24582	6445	9490	10800	0	0	0	9231	8418	0	18436	14973	11902	12794	10703	0	10917	9682	9907	16407	6549	10160	21745	4629	3824	8489	8963	14772	11151	26959	8248	9992	16479	9562	10134	14864	21803	18208	0	9914	14970	6272	7403	6239	7732	6088	15149	14565	22120	13088	10051	34538	18738	18398	16557	6482	7779	0	8231	13418	9999	10981	15677	28996	9176	14316	5342	15352	12199	0	18218	7208	Lipid	0.24	1.64	0.04
26	C22 H45 O8 N1	452.3218	452.32217	-0.32715628	452.32166	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1445	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4575	0	0	3486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15470	0	0	0	0	0	0	0	0	0	0	139226	37063	0	0	0	0	0	0	0	0	0	0	0	0	13647	0	0	0	0	0	Lipid	0.36363637	2.0454545	0.045454547
8	C22 H45 O8 N1	452.3218	452.32248	-0.2280747	452.3217	0	0	0	0	0	0	0	0	0	1200	4932	0	0	0	0	0	0	0	0	0	0	0	0	0	0	424	0	36224	0	0	0	0	0	0	0	0	0	0	0	0	0	0	644	431	880	0	0	541	0	0	1230	0	0	551	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	919	0	0	54534	0	0	0	0	0	0	0	0	0	0	11277	0	0	2143	2348	408	0	1252	0	0	0	0	0	0	0	0	0	602	0	0	Lipid	0.36363637	2.0454545	0.045454547
28	C23 H49 O7 N1	452.3582	452.35858	-0.12985666	452.35812	3787	2233	3982	1779	1192	1828	1256	2641	1324	2576	2990	2165	0	2111	0	2336	2797	0	2363	0	0	1336	2284	1921	2587	43017	1939	5590	2126	2361	1985	2630	1468	1043	2480	2355	1593	1357	1431	2386	1845	0	1886	2167	3317	0	0	2569	3000	2486	2682	1813	1373	3368	0	1928	2261	2515	105298	1691	0	18396	1093	1966	2807	2110	1711	1642	70639	14705	7136	1441	1519	2645	2224	1360	3548	1617	2455	0	1223	3935	2211	1630	0	1771	1223	1697	2126	1980	10139	16134	0	2233	2301	2007	2898	3454	2436	1244	0	0	1505	4162	171425	1975	1737	2116	2446	1121	Lipid	0.3043478	2.1304348	0.04347826
22	C19 H16 O13	453.06638	453.06702	0.25436336	453.06647	2304	4593	4522	4614	11041	8915	0	0	14684	4132	0	0	20520	7315	1697	1600	0	14085	7363	0	2299	7904	2011	0	0	0	0	0	1210	0	0	0	0	0	3167	0	1758	2530	0	2719	2964	0	0	0	0	2789	7843	0	0	0	6315	2294	8569	0	8019	13414	3155	0	1466	0	0	2987	25580	13237	4185	17765	2139	0	0	0	0	0	0	0	0	1385	361	1919	3099	6030	2810	3650	0	1338	16058	5048	3154	0	3027	1313	0	0	2432	8459	8211	0	3832	2565	12385	11023	10231	0	0	1267	7572	0	6739	0	0	27864	Phytochemical	0.68421054	0.84210527	0.0
10	C19 H16 O13	453.06638	453.06705	-0.016884843	453.06635	5230	3590	3568	4092	14193	3189	0	0	21056	1879	1822	3316	24828	3366	2416	0	1206	10598	13729	0	2935	7621	1761	1683	0	0	0	0	0	0	0	0	0	0	3176	0	1263	2075	1679	1581	3565	2633	0	0	0	0	5088	0	1125	0	5536	5476	7477	0	10309	17702	5804	0	2018	0	0	0	37420	20311	6650	17765	5360	0	0	0	0	0	0	0	0	0	0	1247	5563	0	2852	3860	0	0	22609	4288	3763	5074	3116	1962	0	0	0	9315	2034	0	4561	3854	15773	31291	24174	1917	1346	0	0	0	15600	0	0	32117	Phytochemical	0.68421054	0.84210527	0.0
12	C19 H16 O13	453.06638	453.06708	0.034043506	453.06638	12771	10147	11592	8920	30516	11258	0	0	40191	4203	7166	4534	50298	6761	2383	2324	2408	28279	22230	1342	7141	18590	8960	2708	0	0	1564	0	0	1159	1194	1365	2364	1334	8408	0	2948	5518	0	1790	8795	8982	0	0	0	5614	20912	0	0	1921	15463	10157	14474	0	21307	32746	11666	1661	0	0	0	4609	83204	33948	10278	32520	8009	7040	0	0	2051	0	0	0	2432	0	0	2810	9588	0	6848	6408	0	0	38032	6752	6979	9000	10603	7297	0	2208	3411	27585	11197	0	14969	9366	33514	57317	43682	4541	2693	0	0	1624	26132	0	0	61927	Phytochemical	0.68421054	0.84210527	0.0
16	C19 H16 O13	453.06638	453.06702	0.07486211	453.0664	42138	44379	38937	42750	116139	56670	0	6498	150315	10671	27369	22284	230600	40881	16203	9009	9018	123102	115173	12603	27072	84999	35088	7830	7518	1802	3351	0	0	0	6036	0	15132	4377	28125	0	10422	17262	4308	16345	33707	25581	1458	0	0	20559	68901	1563	7050	9174	38016	36705	59433	0	105961	149418	42234	14943	0	12975	0	29097	258846	111987	38616	147285	46636	8934	10284	6180	17837	13632	4614	0	5514	0	0	14961	49803	41616	26841	42399	3423	0	165894	38397	25065	42084	37971	0	0	13548	0	111096	28857	0	53303	37038	97980	186324	151737	18189	12525	9789	41130	0	118266	0	6369	248288	Phytochemical	0.68421054	0.84210527	0.0
14	C19 H16 O13	453.06638	453.06705	0.016443094	453.06638	10966	13139	10112	12000	43154	15929	0	1852	56692	5453	14457	5897	74347	8757	4005	3157	4596	34285	36583	2910	15262	38773	12329	0	0	1459	0	0	0	0	1262	0	4509	1859	12878	0	2777	4128	2257	2644	14198	10263	0	0	0	5374	27538	348	1534	1312	13312	15040	23109	0	33345	41495	16789	0	0	10092	0	6632	87554	51617	14367	46193	15790	3622	0	0	2612	1368	1166	0	2659	0	0	3959	12099	15927	12313	8929	0	0	47133	13867	8374	16660	12688	11685	0	2267	2331	42445	12098	0	15557	11604	40765	66371	50259	3724	5067	2399	15473	3222	30559	0	1666	82062	Phytochemical	0.68421054	0.84210527	0.0
24	C23 H16 O10	453.08163	453.0821	-0.07425317	453.0816	10777	9856	9214	10043	14874	9344	1808	1728	14795	23389	6154	2697	16905	6244	3560	3593	2394	21288	19421	17358	10061	25295	7811	3860	4761	16954	1688	4426	0	0	1251	0	3893	1682	28177	0	2709	4826	4030	8334	11130	3983	0	0	0	10808	12957	0	2307	0	8021	9145	10487	0	20168	16722	6455	2765	2632	3089	3022	7855	25199	17254	5828	17056	9474	2379	18390	17422	27457	1296	1172	0	1876	1928	0	1649	16212	14832	12175	9826	1689	7829	23210	8034	10648	6006	7429	3563	2865	4269	5823	30984	42171	0	7222	7454	10958	15009	17439	2657	1353	5001	8458	2095	18511	0	5208	26817	Phytochemical	0.4347826	0.6956522	0.0
22	C23 H16 O10	453.08163	453.08215	-0.06058808	453.0816	12568	15315	12110	13542	23175	11559	3358	4911	25802	36565	20016	3178	24625	14246	7476	5871	4349	28590	17980	22772	25479	39788	10827	4235	4823	21904	4928	10942	5144	1578	2890	0	2865	2973	47683	1380	6848	7648	4443	19882	20629	6995	0	0	0	18037	29058	0	1756	2764	20103	15539	19063	0	25885	18007	12811	7409	4259	5172	6313	12296	37550	28790	11719	22630	13009	1894	29285	31042	36170	0	976	0	2090	1386	0	3690	15504	26792	14759	19567	2882	11788	27737	20192	17259	9438	12170	8115	4085	6189	6841	45171	50524	0	14174	17397	26887	29125	21812	7833	2910	4355	11904	2003	21063	0	7296	29890	Phytochemical	0.4347826	0.6956522	0.0
18	C23 H16 O10	453.08163	453.08218	0.019224865	453.08163	17900	19747	15552	12905	22584	9623	3833	1684	28002	56540	34938	2796	28905	10704	5298	4665	1410	25719	26731	34838	35458	50809	8507	2275	3943	30581	2226	15861	0	1841	3423	0	5119	0	83329	0	2995	3546	1821	21119	26573	4543	473	0	0	18455	29592	413	3281	0	14688	19559	14494	0	24285	18371	10550	5595	5440	4023	2433	15328	43055	19961	10329	29039	10801	5466	30971	26488	46758	1894	0	0	1675	0	0	1923	17540	27353	9579	25333	4224	14537	26846	15586	16932	6758	9110	5104	11523	8775	5600	54325	56398	0	14711	15971	25339	27625	24625	4103	2873	5339	14289	2789	20205	0	7247	28927	Phytochemical	0.4347826	0.6956522	0.0
20	C23 H16 O10	453.08163	453.08215	-0.024913223	453.0816	23090	23076	17515	18206	27379	10270	3353	4033	31469	67327	27992	2418	37225	13156	8622	4835	2503	31471	30697	34361	33746	41753	8838	5246	4267	29531	7814	16553	4181	1727	2418	1808	6918	2742	89781	0	4214	6802	2936	18723	29016	7347	828	0	0	26024	28869	0	3440	2046	19803	14816	19599	0	31344	25918	15139	6125	5155	4818	5994	17648	42540	25019	13846	34247	9621	5355	27853	45977	46249	1465	2071	0	0	1951	0	3707	21224	35311	19162	21366	7731	20800	33710	20868	16606	11335	13080	7352	10075	8683	8734	57539	62902	0	17004	18169	28982	31711	27546	3508	3349	5950	22817	4914	24028	0	4432	40314	Phytochemical	0.4347826	0.6956522	0.0
14	C23 H16 O10	453.08163	453.08243	0.13780452	453.0817	4079	3842	3903	4427	6883	2142	0	0	8433	16788	14006	0	5836	3092	1464	0	0	4280	5554	10647	10522	15035	2183	0	0	9334	0	0	0	0	0	0	1927	0	30810	0	0	0	0	5857	6872	0	0	0	0	3088	11083	0	0	0	0	5025	2978	0	4108	3817	3385	0	0	0	0	2219	9941	6689	2033	3274	1281	1597	0	12474	12708	0	1152	0	1732	0	0	1061	4778	0	2854	6793	0	3382	8876	3401	3870	1755	1894	0	0	0	2069	17233	10522	0	2371	4776	6892	10721	6561	0	1060	0	0	1376	5137	0	0	8274	Phytochemical	0.4347826	0.6956522	0.0
16	C23 H16 O10	453.08163	453.08224	0.08544067	453.08167	8734	10764	9062	9524	21605	6611	1354	0	19579	43497	20726	1158	18027	5188	3197	3460	2789	13685	18358	16441	25060	29853	4601	2509	0	21730	2709	10590	0	0	0	0	2506	0	61152	0	2840	4009	2763	11742	15335	2661	0	0	0	10228	15836	0	2243	1153	10242	9319	9886	0	13829	12588	7445	2383	2847	5011	0	9349	29859	13885	5134	14431	5900	2637	20123	23243	35786	1712	0	0	0	0	0	2594	12845	19718	9401	16150	1967	7336	17382	6743	7782	3623	5313	0	3374	3424	0	33312	34191	0	8854	8927	16953	16735	14212	3879	1834	2926	12681	0	11836	0	2000	22485	Phytochemical	0.4347826	0.6956522	0.0
26	C23 H16 O10	453.08163	453.08212	-0.03675721	453.0816	6279	6810	6855	5508	10627	3647	2420	0	14242	18555	3208	0	14916	3270	0	0	0	14249	17553	10977	10720	20179	5565	0	0	7907	0	0	0	0	0	0	2941	0	25276	0	2447	0	2602	4586	7012	0	0	0	0	6222	7879	0	0	0	6855	4494	7243	0	17627	12257	4013	2394	0	0	0	3906	19446	11523	3244	13416	3798	2283	11609	12708	15643	0	0	0	0	0	0	0	10683	11904	6417	5844	0	4202	16357	7523	7088	4419	6475	2687	2250	3394	0	21400	32061	0	5186	9845	6689	9629	17743	0	0	0	0	0	8386	0	3925	15786	Phytochemical	0.4347826	0.6956522	0.0
28	C23 H16 O10	453.08163	453.0821	-0.09293703	453.08157	5997	3368	3919	4159	6559	2296	2558	0	8777	11363	4321	1604	12293	4932	3876	1982	0	10047	11259	5744	9126	12080	4110	2599	0	3455	2059	1329	0	0	957	0	1676	0	11988	0	1911	2076	1141	3481	5916	0	0	0	0	3599	4337	0	1277	0	6962	6834	5063	0	7629	4860	3370	1670	0	0	1979	2566	14106	7738	2707	7468	3141	1443	7021	8682	16161	0	0	0	0	0	0	1271	7440	7957	8279	2294	1719	1860	11768	5589	7197	4061	3164	2549	2147	3050	2666	16999	23472	0	5921	5161	6533	8609	9930	2252	1258	0	2984	2151	6783	0	1670	12986	Phytochemical	0.4347826	0.6956522	0.0
12	C20 H20 O12	453.10275	453.10342	-0.00189709	453.10275	111283	117471	102576	117781	128037	82853	42913	49647	173415	157222	142705	50722	203680	49255	51632	61045	53720	171679	169602	120526	150586	247640	79037	60493	19116	21188	43953	57723	36319	36350	44860	37517	68933	39651	233957	36779	62484	66585	47402	93298	169773	62303	2432	533	0	143565	295400	451	44614	46708	111692	105144	89908	0	184841	120917	66841	61768	50811	73942	63401	98480	556664	151559	57493	157727	76995	65096	64358	51814	93567	50640	43188	40964	43983	43110	0	52926	93803	136954	69204	137045	22309	32103	133506	68186	79187	64292	64517	61222	41998	58966	64740	215387	149846	0	121318	122760	156959	134057	123032	81906	48437	52556	217686	52597	119525	0	35068	519046	Phytochemical	0.6	1.0	0.0
16	C20 H20 O12	453.10275	453.10336	0.01813941	453.10275	111168	115989	107950	116890	167746	123445	29217	50046	192154	154429	86071	44952	291101	73003	65146	47140	31975	220950	191109	125749	151581	218593	78974	49624	32573	18795	37125	47864	37390	38007	56401	46627	81378	37735	225160	43927	70311	60238	37713	103725	102536	55358	3477	486	382	180635	278311	945	51866	42770	112603	108604	101217	395	217189	127833	68707	55191	74016	41330	51233	109763	290116	173192	54705	176153	84193	36649	56435	62436	82263	53278	38078	27489	29516	39106	270	48140	88704	127446	68681	191467	27935	41402	149873	73444	61210	61173	71940	51549	34552	66802	63741	182556	135724	794	119859	104575	137289	126313	122790	53604	48854	46353	190585	69754	122489	556	30157	306424	Phytochemical	0.6	1.0	0.0
22	C20 H20 O12	453.10275	453.10345	0.20424703	453.10284	14378	9040	12919	12913	24514	16471	4695	3089	28620	21644	10145	3581	39734	9798	8614	3962	4339	24726	21465	9716	18627	27902	11686	6595	4402	3388	2713	4262	2400	2281	5681	4489	11248	3911	20319	2100	7178	8664	3614	12338	13234	6137	0	0	599	40345	46300	0	3936	3588	15156	12564	11565	462	32303	16689	8369	4883	8604	4408	3804	19265	34580	22209	8304	25932	10353	3994	7728	9921	13524	3398	3177	2951	2940	3198	964	6282	12215	19689	11597	41797	2995	5898	25616	16643	7025	8071	7473	2287	3777	11357	5794	24243	16898	0	17867	12243	23218	19541	21898	4206	4269	7159	36921	5842	18804	0	2701	37986	Phytochemical	0.6	1.0	0.0
24	C20 H20 O12	453.10275	453.1034	0.20752083	453.10284	9985	10116	11105	9188	12517	7013	1346	0	12754	9894	6967	10750	23402	3113	76437	4276	98808	15925	15032	10617	14602	12181	6740	3476	2208	10086	3927	6218	1583	3449	1698	2564	1781	1997	13814	3953	3479	60978	203914	9259	11081	0	0	0	0	15236	27312	0	1086	0	9840	10430	7362	0	16327	11935	4617	2146	4086	0	1766	9006	17416	7433	3028	13374	2407	48739	15172	21722	18717	2534	922	1887	11229	1146	0	1722	6178	5081	5424	21217	2201	3037	11275	6159	8361	2106	3433	0	4659	3905	2562	17012	16569	0	9538	5208	8113	8074	10431	0	4188	0	15398	2924	10950	0	3580	23228	Phytochemical	0.6	1.0	0.0
12	C19 H20 O11 N2	453.11398	453.11465	0.014847017	453.11398	36019	37472	39178	30986	33821	21914	12785	28468	48155	42964	37484	26034	53400	7669	22627	26631	31628	46530	46113	33198	66006	104032	34654	24421	10253	2847	12143	0	19910	17247	26395	18825	36916	21548	54284	17540	30713	22170	36825	47807	92865	23491	726	0	0	64518	138854	0	21582	25016	36704	38106	28621	0	59947	30516	23071	24711	24877	34961	18064	49104	82670	54221	21823	48602	29042	37859	0	10915	21559	19925	18355	16288	20752	17195	0	25788	21841	37246	21260	59454	13006	12346	38701	17572	23779	27605	30448	47062	6561	24246	49788	67353	41838	0	38261	39858	36547	31812	28272	30742	26027	20585	95319	29223	27346	0	15422	88856	Phytochemical	0.57894737	1.0526316	0.10526316
8	C19 H20 O11 N2	453.11398	453.11475	0.011596794	453.11398	20194	27371	21563	24194	19529	10244	6696	12995	27025	26902	23053	17815	35591	5547	11091	17208	16879	22324	27721	20349	47281	42476	16731	17048	2837	1934	8651	3464	11675	10781	11710	12308	19289	10533	38210	11790	17202	11075	22654	23040	52528	15855	0	0	0	31541	81661	0	12402	16201	22892	25589	17069	0	35270	21951	14541	11226	10644	21449	11940	23485	60424	34267	18247	29259	15344	26881	7808	4398	10191	13090	14250	9484	15705	11070	0	10165	16854	16283	11651	23685	6172	6570	26843	8050	10639	18857	17692	25810	0	11902	22889	39564	25121	0	23245	20738	23211	25764	23293	18078	13432	16976	37184	14453	17628	0	6190	44523	Phytochemical	0.57894737	1.0526316	0.10526316
14	C19 H20 O11 N2	453.11398	453.11462	-0.019556748	453.11398	23078	31856	27075	26717	27966	16029	11014	20423	33135	35017	25360	22993	56914	10062	22200	15300	21503	44556	34908	26582	45300	68828	28290	24797	10803	1473	7975	0	12400	15155	18103	17453	29237	16771	53380	14350	24305	19099	21908	36444	60559	23460	0	0	0	52119	102277	0	16090	23302	30652	21681	21845	0	49982	29934	14707	14835	30815	20737	20150	50534	59768	50540	17396	34204	22911	30681	0	8266	11827	18574	16730	15710	20620	14263	0	20554	19013	34689	20700	46252	5506	9470	28668	12997	20502	23002	21431	35987	8332	22210	37158	58531	30927	0	27873	33032	22066	27269	26563	31258	19605	19749	67827	25447	23003	0	12968	56098	Phytochemical	0.57894737	1.0526316	0.10526316
6	C19 H20 O11 N2	453.11398	453.11478	-0.001101454	453.11398	8451	8095	6380	6935	8449	3388	3009	6695	14000	10500	8305	6424	16799	2178	3158	5980	6813	10366	13026	7795	13970	14198	5707	4783	851	635	1866	0	5092	4155	3430	4865	6240	3946	13598	5490	5377	3450	6621	7309	16265	6384	0	0	0	10450	19781	0	5947	5809	6414	10265	7731	0	13194	9439	5345	5497	3385	6105	6712	5940	23440	14864	5852	12124	7150	10674	0	1891	3274	2963	4969	2465	3811	4417	0	2900	6320	0	3991	6488	1799	1504	12615	4140	3932	8748	8649	8953	0	3396	9111	11859	8631	0	7568	7196	5852	14069	14492	7877	5263	6528	0	7666	10010	0	2235	24698	Phytochemical	0.57894737	1.0526316	0.10526316
16	C19 H20 O11 N2	453.11398	453.11462	0.074350566	453.114	17899	13301	17240	13522	22752	15064	6172	9398	25614	21137	7684	15959	37631	7035	9863	11653	14163	24650	23994	17191	25674	56818	17969	14793	7812	3050	5206	3489	8949	9647	9139	11810	11990	9235	29553	7556	15099	10473	11839	22534	22798	13186	0	0	0	31063	61962	0	9479	8337	20378	17701	14955	0	30964	18438	12810	10523	13948	15391	13783	28023	37802	23476	10093	20056	11067	16077	7481	6500	10570	10703	9508	7283	9142	7331	0	12008	8857	19172	14234	36719	3988	5155	20108	10711	12393	12414	14321	0	7054	15330	0	31313	33091	0	16660	14206	13077	16265	10753	10631	11095	10274	33627	0	14349	0	10261	42883	Phytochemical	0.57894737	1.0526316	0.10526316
18	C19 H20 O11 N2	453.11398	453.11478	0.12883924	453.11404	13063	7771	11424	7098	8124	8099	2836	6108	11947	6315	4201	6645	22523	3920	5129	6535	6157	8713	15312	6574	10808	20575	6515	5992	4045	2744	3278	2090	0	2522	3856	0	4382	0	8810	2782	6009	4371	3415	10641	12027	4470	0	0	0	16652	29574	0	3217	3666	10034	11593	6832	0	14294	11310	4984	6781	6203	4346	8305	9472	16620	16788	5734	11512	6099	3902	3884	0	3394	3838	3184	2668	7379	0	0	4719	7076	11462	6879	15401	1876	6598	9711	4760	6869	7397	9014	7496	4300	6881	12426	21033	16701	0	9069	8572	8866	7671	7790	6287	4311	2658	16918	7477	8548	0	5558	21398	Phytochemical	0.57894737	1.0526316	0.10526316
14	C24 H20 O9	453.118	453.11862	-0.007892182	453.118	11363	13477	10820	7222	8079	3861	4966	3740	10899	42110	27142	3958	10376	5325	4741	0	0	7820	9186	21170	21560	10817	5151	0	2228	33404	2778	11158	1902	2383	2981	0	6921	2361	44554	4070	5502	3557	4254	12660	15462	5518	0	0	0	15968	17468	0	4746	0	11030	9414	5608	0	5518	7552	5185	3497	0	0	0	11206	11855	8463	3163	9710	3863	2678	38963	41765	48676	2494	2932	1580	3916	3906	0	3173	11509	0	7440	11317	2605	12530	10853	6641	6257	5804	3325	11843	4016	11227	7981	15017	16559	0	14180	8098	9927	10191	11019	4234	2453	3882	0	3664	7888	0	7584	9020	Phytochemical	0.375	0.8333333	0.0
24	C24 H20 O9	453.118	453.11847	-0.063623816	453.11798	19533	18417	20498	15896	22231	11923	2186	3374	24436	62183	36908	3759	27279	8956	7390	5656	3093	29024	27266	31711	39633	31988	11274	4975	4597	47829	3220	20959	2946	2232	2973	1510	5420	2893	79745	0	5707	6879	2455	21361	27139	5940	0	0	0	22820	34657	0	2762	3569	16298	15071	16347	0	23179	19615	10880	7251	4487	5646	4946	21692	33578	21895	11043	27213	7953	4132	49857	69534	86849	2681	0	0	0	2053	0	3022	13701	26194	14988	20304	5045	22522	36849	15399	11237	7624	9793	5322	11178	10634	8031	49927	48599	0	17193	13052	19563	24120	24379	3915	2701	8183	17798	3213	21103	0	6091	34448	Phytochemical	0.375	0.8333333	0.0
22	C24 H20 O9	453.118	453.11856	-0.06169081	453.11798	37421	26974	28555	31048	46133	22175	10835	5262	44818	108980	83425	7149	46022	21094	11111	8442	5061	44221	49288	61258	71553	59449	11157	8649	11080	110359	6135	53662	6598	2415	5522	0	9465	5866	131496	7020	13052	12028	6151	53709	48648	12732	0	0	312	44011	47048	0	5213	4805	30294	32551	28112	334	39591	32322	15817	10673	13957	8338	14603	37676	54420	39818	16588	45623	23794	7703	102527	127148	137449	5110	3636	1751	4052	5490	0	6497	26305	40048	19123	39699	8414	41864	43094	30478	25447	13779	16463	13902	16062	20367	9928	66776	77429	0	32061	28547	43881	40307	37628	8483	6616	14986	34181	11696	38000	0	12742	46752	Phytochemical	0.375	0.8333333	0.0
26	C24 H20 O9	453.118	453.1185	-0.069125056	453.11798	8851	5433	9001	8377	8684	5905	0	0	14203	29529	13378	0	12247	7275	0	0	0	12986	14189	12047	22489	20934	0	0	0	31418	0	10536	0	0	0	0	3387	0	35655	0	1978	3098	3236	12636	13915	0	0	0	0	9387	14827	0	0	0	9169	11010	7196	0	16465	13573	0	2345	0	0	0	9756	21540	15284	3063	13975	4689	0	29241	38972	50394	0	0	0	0	0	0	0	8366	26483	6351	6684	0	10969	19062	9481	7729	3493	3329	3514	2832	2702	4382	22215	35967	0	9650	10188	12584	15909	15149	0	0	0	8226	2191	10615	0	4010	17814	Phytochemical	0.375	0.8333333	0.0
28	C24 H20 O9	453.118	453.11847	-0.10679543	453.11795	4455	4103	4701	4479	5734	2613	1228	0	7035	14738	7183	0	9890	4808	0	2432	0	8512	9512	7980	8938	10556	3057	0	0	13171	1547	5392	0	0	0	0	2494	0	18832	0	1084	1405	1781	5538	8311	0	0	0	0	4006	9762	0	1422	0	6158	4051	3392	0	8356	5979	2307	0	0	1266	0	4574	13681	7914	3803	8866	3569	1188	20098	20947	29802	0	0	0	0	0	0	0	6653	9107	4017	5715	0	3287	13465	4892	5899	2615	1961	2911	1848	2143	2746	12547	16809	0	6086	5842	5284	9472	9533	0	0	2601	4518	1780	5529	0	2521	8040	Phytochemical	0.375	0.8333333	0.0
22	C21 H24 O9 S1	453.12137	453.12192	0.22820547	453.1215	10659	19170	20794	11284	17830	8257	1615	2729	20646	64132	10764	3230	13580	0	3207	2866	2370	27188	9978	38846	24467	54636	13172	5137	11756	28214	2062	13796	2996	3251	4063	0	2385	1763	27758	1824	4467	3614	2899	48226	31252	3286	0	0	0	23434	20146	0	3074	0	10568	16716	16188	0	13117	7014	4435	4155	9439	3247	4193	29646	9873	7291	4299	8964	4566	0	13497	55222	43706	3053	2822	0	0	2536	0	8024	12914	25782	3276	22990	8564	26444	11778	12008	18484	5245	6298	5001	14004	20710	14436	33206	57322	0	10657	12322	13630	5288	5688	13422	3909	7775	24788	12838	7110	0	13066	40170	Organosulfur	0.42857143	1.1428572	0.0
26	C21 H24 O11	453.13913	453.1397	0.14067797	453.1392	7949	9358	7135	6419	6316	6347	0	0	6774	17571	5598	3263	17874	6435	7353	6502	0	18073	11110	20084	16432	7421	6788	5324	0	0	2103	3057	0	0	3436	4102	5661	4272	14505	0	6129	3593	2822	10991	7100	0	0	0	0	13172	18808	0	4421	0	9296	7033	5840	0	12449	0	0	5294	3946	3116	4776	7742	12290	7945	0	5982	4430	3765	0	15562	12001	6960	4423	0	0	5081	0	4626	8851	6366	6813	9664	0	6116	10505	0	4600	3396	0	3117	9223	7493	4653	7894	10345	0	8590	6250	3228	4532	5012	0	3477	5221	10160	3957	0	0	4178	14532	Phytochemical	0.52380955	1.1428572	0.0
10	C21 H24 O11	453.13913	453.13983	0.002691506	453.13913	431509	226421	182428	196325	320414	229643	123456	385623	378343	911566	580854	321665	372619	83829	138443	417664	314432	363277	204789	733324	795689	517042	166424	207640	89953	181383	263876	165044	321967	151429	322016	362899	397329	150674	1025537	166576	354745	152536	197939	268589	652873	186295	3630	0	0	286909	793589	0	208375	179440	450578	214164	127670	620	215112	244364	194058	381190	202624	198079	237984	192494	209800	176003	189043	171610	215296	196306	235818	237580	598373	351631	344558	350180	293985	172291	0	235097	422907	147526	357349	437383	251703	274371	361973	203826	338993	99734	110163	162154	133602	153459	194334	435924	527826	1392	212882	223410	385975	294385	277692	376154	262995	224055	273766	158517	293050	0	125023	417644	Phytochemical	0.52380955	1.1428572	0.0
28	C21 H24 O11	453.13913	453.1397	0.04314795	453.13916	6854	4599	5158	5694	4916	5832	1997	5741	4882	15783	5318	2769	8448	3746	6760	4401	2211	7915	7550	20032	16637	7680	6183	4850	0	5802	2321	3816	3915	2565	4566	2265	3683	3402	18311	4381	4770	3087	2305	6065	6291	2980	0	0	0	9824	11949	0	3551	5910	6005	5830	5982	0	8862	6441	1841	5071	3105	3181	5591	6603	7590	3965	2381	6581	1973	0	7854	14645	9046	4114	2972	4953	0	2101	0	3147	6076	2567	5838	7964	3116	6667	4408	3073	4167	1898	2687	2705	5730	5093	5004	5490	4806	0	6542	5228	2567	3823	3324	2614	2649	4117	10269	2932	4285	0	2831	7261	Phytochemical	0.52380955	1.1428572	0.0
6	C21 H24 O11	453.13913	453.14	0.06865468	453.13916	10668	7520	19310	8171	4870	3884	5157	8471	8340	14381	11590	6038	17274	2349	3518	9286	9165	7857	9768	11196	33930	9535	6258	11071	2305	3916	5233	4903	3841	9824	7413	7281	7996	5757	15080	8484	6211	5217	13535	10057	11111	4042	0	0	0	6891	30894	0	6752	7599	15850	10541	4600	0	18070	15152	3903	7363	4565	9278	7105	6524	8199	6210	4022	6199	6205	10092	9135	6467	12755	5881	7264	6281	3912	7032	0	5262	9412	5201	5978	5445	5149	3670	17204	4937	6840	4710	5145	8021	0	5012	7536	12246	6422	0	10443	17524	6353	13770	18120	8791	4672	8881	7529	5709	14552	0	4666	17688	Phytochemical	0.52380955	1.1428572	0.0
24	C21 H24 O11	453.13913	453.1397	0.12369575	453.1392	17110	14707	16376	13912	16551	16314	3340	15339	21029	41295	9919	8191	33435	7252	9636	6950	6697	26902	18719	28641	26573	17965	12585	13387	9338	8464	6257	8998	10883	7487	10357	8465	11352	9303	42579	10800	14889	9657	6441	21840	13913	6218	0	0	0	35122	36111	0	13329	9220	14092	14314	13874	0	25491	13967	8765	7706	10409	6332	12665	15782	30676	19196	7415	18698	9619	6371	7832	26172	18748	12440	12800	10329	5695	8259	0	10253	16706	7368	13480	29253	8630	14028	16939	13414	11195	6343	9808	4319	13889	13513	13184	12988	18571	0	13352	15373	12669	14296	9412	7084	8724	13208	29094	10780	13649	0	7159	31442	Phytochemical	0.52380955	1.1428572	0.0
10	C20 H24 O10 N2	453.15036	453.15103	-0.026009282	453.15036	141508	151867	147711	133424	64151	58454	93051	172134	95207	216141	115612	110611	109886	37044	114257	127433	109106	115357	120389	183458	211913	250075	118758	163613	72282	28641	88417	67895	129576	140527	136520	158853	178957	125607	280531	136042	169615	105392	133271	216911	195863	75630	1961	0	0	212828	228673	0	146221	133578	153985	144862	72797	0	126401	58700	55714	157561	156616	123058	154763	151177	127837	107024	57503	100242	87735	144013	57804	60984	77946	162076	144575	133047	102000	123125	0	99936	111586	104550	97816	137966	90946	81371	80702	57298	97522	77422	88290	149616	99350	151032	216804	138772	169514	425	139090	154361	59567	62975	57860	165413	94107	186373	231767	140552	56232	0	85917	139914	Phytochemical	0.5	1.2	0.1
2	C20 H24 O10 N2	453.15036	453.15125	0.051248945	453.1504	10542	7305	5781	7269	9669	0	3537	6510	12027	7677	12492	10032	20157	4725	5121	1068	7470	11121	12543	3087	13365	13029	9774	3714	0	0	0	0	7668	4258	7296	6105	12153	7227	13005	7773	7974	4557	8595	8382	14499	0	0	0	0	4839	8583	0	7119	6414	6129	8835	9567	0	13767	8016	4710	7731	3270	8415	2640	5136	19689	14940	0	16929	7587	12912	0	2829	4929	5571	6519	3603	0	5802	0	3696	7599	0	5103	5238	3486	1881	11769	3876	7908	9801	7992	13767	2946	5544	16647	7614	0	0	8517	7506	6261	15666	10140	6255	5346	5130	5187	9171	6141	0	2754	22437	Phytochemical	0.5	1.2	0.1
12	C20 H24 O10 N2	453.15036	453.15103	-0.03971436	453.15036	150279	159889	158280	172594	78854	79135	131906	206443	111129	212747	121787	114576	114024	26839	148578	136538	139539	151428	159160	231411	230171	330284	146781	187010	106936	31204	90005	83621	183015	138451	163936	152118	208162	147189	317076	150845	178122	133801	148607	243823	213869	86514	1849	0	0	250097	238709	0	164890	166407	166454	157853	86490	380	166557	67703	62259	166440	236225	158267	168881	195901	152464	120882	56639	117573	100261	150199	56279	96315	79598	166740	145904	164480	92430	145452	0	132722	127277	107765	108970	159562	106927	104733	74970	66060	118482	82468	100122	198250	128952	192154	245161	170355	138881	591	159140	181196	75208	62201	60416	190971	121339	190154	218529	175644	67935	0	94603	164556	Phytochemical	0.5	1.2	0.1
14	C25 H24 O8	453.1544	453.155	-0.026378721	453.1544	15784	14324	13126	12961	8639	6323	8020	12755	12096	32527	19984	8008	13873	5576	6881	12841	11797	11822	9601	26220	26085	14706	6918	11885	6735	38931	10562	11202	9899	10854	8505	12864	8476	6819	29334	10446	7689	8096	9668	12174	21348	4138	0	0	0	16202	20774	0	10355	12936	14168	17074	6314	0	8035	8901	6622	15380	0	9481	0	12408	12685	7050	3493	10022	8196	11225	29427	38244	50306	8960	8917	9519	9979	7766	0	5288	17167	0	11097	12728	8773	15140	11120	7969	16995	6504	5742	14647	11292	11345	8371	9059	14680	0	12837	10280	11278	13577	13691	7193	8149	11341	0	8695	8900	0	10690	11382	Phytochemical	0.32	0.96	0.0
28	C25 H24 O8	453.1544	453.15485	-0.104336485	453.15436	7691	6515	8242	7513	9729	3069	1469	0	9352	18148	12180	1227	12900	6617	2977	3767	3036	8787	12782	15730	13574	7574	3466	2570	3077	28120	2429	11461	2436	0	2361	1514	3951	1665	19071	2421	3246	2584	3443	9023	13534	3514	0	0	0	7933	9218	0	2225	0	9723	6339	6691	0	8464	9665	3488	2588	2126	2345	2996	8115	12659	6751	2969	10944	4658	2411	34507	27373	51581	2433	0	0	0	1832	0	2332	7649	11297	5653	5521	3354	7382	10727	5931	7374	2777	3690	2588	2190	3797	0	10565	11280	0	7390	7598	9154	12531	11098	3292	1811	3755	3744	2369	9718	0	3611	10392	Phytochemical	0.32	0.96	0.0
26	C25 H24 O8	453.1544	453.15488	-0.0689256	453.15436	16124	16690	13956	13169	19357	9470	2304	0	21607	37114	29285	5491	27417	11143	0	8490	0	23612	22030	34515	38443	23143	8324	5853	0	66198	1930	24179	0	0	4735	0	4703	3833	40873	0	3736	5804	4613	26466	31142	0	0	0	0	21157	19227	0	3900	0	16441	14527	12231	0	18966	16621	10171	5710	5579	5116	5470	15787	28611	18021	6019	21920	10392	3823	81733	78305	111522	0	0	0	0	3727	0	0	14012	22826	13186	10206	4114	20398	23800	9471	13266	7091	8106	6380	6350	8868	9618	18181	27590	0	16693	14037	18120	25689	26607	5817	4117	12266	12608	5205	18393	0	5582	25461	Phytochemical	0.32	0.96	0.0
22	C25 H24 O8	453.1544	453.1549	-0.070060685	453.15436	77522	76363	62278	80526	77164	52191	17935	33279	79331	201722	166902	22192	80556	57660	30500	34892	23053	72811	89456	165202	177386	93821	42598	35161	35636	327560	22475	145698	20900	23109	20395	19112	29990	18761	238846	18451	31172	30440	22957	115884	126129	33419	2979	0	0	92737	90326	0	29426	18642	76200	78767	52781	0	71490	66327	38464	36657	31131	25119	35751	87234	100550	60876	35821	87878	50976	20773	269837	367557	382257	26973	16608	14018	15017	21955	658	24146	59257	69394	46472	68676	26724	99251	86755	46806	56809	35213	36248	37024	45854	55467	40946	91823	104380	0	61766	62970	77249	76688	65644	26834	26093	35184	71657	31056	63699	0	23402	94095	Phytochemical	0.32	0.96	0.0
10	C19 H24 O9 N4	453.1616	453.1622	-0.09301365	453.16156	5868	7967	6886	7274	2371	4209	6789	6144	4856	6496	2604	6267	6125	0	7894	12450	6164	4850	6387	3519	6778	13691	10087	8389	7054	0	5294	0	9085	6043	8710	11388	10585	5794	9234	8737	11431	5963	12334	5052	5088	3552	0	0	0	7155	0	0	8663	5955	5830	9120	4225	0	6211	2023	2480	12992	9271	6420	0	4860	4387	4345	3127	5099	5253	8248	0	0	0	8777	7025	5814	5770	7895	0	6256	8254	5857	6830	4658	3898	0	3094	4737	10048	5342	5314	15415	4104	11932	21382	2307	4304	0	7836	3562	0	1627	2834	8303	6357	6680	0	11434	3089	0	6778	7647	Peptide	0.47368422	1.2631578	0.21052632
8	C19 H24 O9 N4	453.1616	453.16232	-0.062044416	453.1616	11269	10802	6682	7354	3014	2840	4133	11936	5533	5523	4722	8896	6174	1938	9201	11429	10143	7156	7667	4985	4029	13533	9758	14244	5628	0	5900	0	9531	6666	10450	8811	11140	7885	7969	9431	12225	8305	11379	5601	8579	6403	0	0	0	6579	7707	0	10371	8332	10804	9942	3923	0	7036	3015	6311	9871	7978	6802	11675	4355	7792	5344	4271	6524	6557	12086	0	2579	0	8613	6921	8101	6756	7927	0	7851	8231	11027	7622	5784	5296	0	5777	0	10327	5689	6631	23787	0	12201	28581	7182	5639	0	7821	7752	2268	5300	3064	8158	7285	8197	0	13991	3268	0	8442	10298	Peptide	0.47368422	1.2631578	0.21052632
14	C22 H28 O10	453.17554	453.17618	-0.020577917	453.1755	460723	435360	444169	878884	479644	407306	654260	1004800	678376	1666166	990868	285564	684012	150652	761428	901864	662584	702414	724222	1578970	1348218	996134	710068	1045396	646394	926152	542770	417666	837806	856726	808608	506534	893472	719402	1850188	451214	803226	337388	345561	1037810	903882	415976	8444	1037	835	1025554	459273	712	894238	870344	417497	829756	467174	1237	811152	445652	365074	959716	1065342	336653	547990	722286	727680	681360	344106	573820	252174	353876	425736	1312020	1161098	815124	817452	969456	607818	870472	484	661854	803122	267804	775180	320995	690546	723004	528048	183261	656678	428184	497856	395860	698488	718508	1001360	601750	701980	3194	907944	466968	523048	465758	448506	849404	315196	1132396	402151	756478	474218	687	317187	678876	Phytochemical	0.45454547	1.2727273	0.0
26	C22 H28 O10	453.17554	453.1761	0.05096128	453.17554	15958	16107	14471	13074	12474	13946	5604	13289	15937	41197	11031	9341	22779	7101	11564	13185	0	15738	23157	41595	32307	17955	10826	12910	7595	10781	3077	9288	15342	8115	10062	9525	12304	11775	32348	7103	18638	6844	6931	16323	6849	7836	0	0	0	16002	14688	0	13513	7683	14420	12548	11648	0	26105	10820	8286	12207	9324	5006	15013	9281	16915	12594	4540	17650	7673	5538	0	27756	18609	15921	12610	14533	0	10998	0	8295	12547	7502	12315	8004	11155	9455	11446	10698	12195	6647	9351	4774	15507	12118	20393	6726	12723	0	16264	12627	8932	6832	8160	8729	9271	12796	12373	9202	9213	0	6696	21891	Phytochemical	0.45454547	1.2727273	0.0
10	C22 H28 O10	453.17554	453.17627	-0.096480206	453.17548	310892	281188	328412	148509	117078	116079	119203	392032	153009	241258	124065	223811	153593	49952	151257	356041	136679	176243	223934	449464	210508	251956	136874	236534	198352	138088	142397	85126	297650	305806	300907	180846	182859	267601	280332	326310	174123	239493	173795	181188	328680	126289	3202	940	738	281257	192703	0	321824	304069	167782	287003	76107	1392	127158	136280	66337	186827	294485	273559	217849	197895	190287	100042	66467	171673	121078	186127	149914	147956	170153	148805	154971	327179	151456	168895	0	222244	168497	88789	136721	223647	145271	185261	97370	112922	136359	57971	143231	157679	205048	144429	366052	104866	143064	2030	287467	324561	80048	165190	80381	168107	120576	383974	112654	147660	141357	0	115925	185715	Phytochemical	0.45454547	1.2727273	0.0
28	C22 H28 O10	453.17554	453.1761	-0.027571395	453.1755	8461	6121	5961	6248	5121	5504	3844	9165	5490	20563	5622	2989	11766	6218	5898	6902	4630	10242	7504	25273	18049	6323	6736	7607	5688	8745	3303	8615	7838	6131	6279	5843	8161	6894	18515	5473	8266	4164	3427	7672	6827	3793	0	0	0	7198	5811	0	8165	5255	7731	8083	5836	0	7953	4824	3337	6837	6408	3323	7922	7320	9943	6328	2639	7156	5024	2908	7200	21314	9401	6214	4647	5734	5134	6038	0	5088	7407	2643	5932	6084	5729	6768	6144	3240	5249	3133	4036	2502	5411	7852	8834	4911	4407	0	7735	8122	3693	3612	7728	7081	3839	7999	3830	5306	3825	0	3212	11518	Phytochemical	0.45454547	1.2727273	0.0
12	C22 H28 O10	453.17554	453.1762	-0.06142695	453.1755	839042	867654	859698	836322	363235	173026	683802	992736	458491	1212934	815280	499912	404246	110466	599871	888316	706510	521952	628564	1227060	1112726	476518	681298	956370	255348	683432	629346	303536	747554	756070	718398	774232	740546	668902	1276996	740776	724968	651420	749372	891208	1034524	355934	5468	0	764	871796	932962	898	806256	827268	798232	813374	375858	1292	599650	364177	309426	895460	796210	372332	476146	299568	563642	478316	237438	248052	380208	407304	340374	962364	1025992	722392	703306	802988	645488	716651	420	602184	698694	220012	651676	605968	597750	534842	496280	318326	648983	157740	199844	449360	316920	656858	804336	477796	650170	3254	889412	926008	483438	358818	378876	811530	483218	934396	372716	669182	405953	738	570430	572904	Phytochemical	0.45454547	1.2727273	0.0
20	C22 H28 O10	453.17554	453.17606	-0.034446355	453.1755	457278	425509	442364	394804	330516	351075	211761	491361	510202	1090564	315915	220500	576236	227755	453593	339059	149300	575637	580303	920161	769886	489047	391519	459833	404875	349461	178691	267321	471477	373531	428738	423430	463885	402279	1174071	393752	547293	315502	180715	628817	222142	252141	10830	1571	1173	592656	292569	2374	394816	358461	407418	443783	298951	2534	696263	286838	200162	411849	513047	129668	379382	365726	558178	458758	162808	384761	281032	176551	288115	852661	378147	452205	419691	466041	198180	381639	1031	366477	332250	189801	289143	298720	275622	322213	277864	224706	273195	174909	270510	182814	398558	492105	557397	253414	335993	4464	437331	438441	296607	222380	210321	408126	266578	465173	298503	367301	251163	2853	248417	669457	Phytochemical	0.45454547	1.2727273	0.0
18	C21 H28 O9 N2	453.18677	453.1873	-0.11338772	453.1867	2128878	1969711	2091518	1828136	1532386	1381792	1223820	2412770	1897252	4779176	1698037	1049129	2226480	832010	2040641	1878613	817801	2266723	2453847	4274058	3375517	2300413	1788251	4399892	1868951	1962044	970559	1607103	2184842	1812435	2311437	2063683	2414174	1998109	5111847	2202444	2364111	1572929	1097443	5104726	1477418	1230764	40151	4840	3552	2465238	1517950	3942	2018040	1919616	2022215	2116431	1446778	7451	2575780	1316453	991076	3700071	2318472	938246	1942872	3265161	2158347	1729792	757482	1609695	1267020	1179877	1683619	3553661	2511090	2369351	1945797	2305336	1004772	2162784	2654	1680531	1546714	998916	1543965	1427781	1470309	1614415	1352095	1058728	1475606	954520	1367249	1119673	2033344	2582803	2820036	1226714	1969217	12444	2035787	1968036	1301242	929974	951129	2109585	1250386	2196004	1208906	1686207	1053849	4466	1401314	2363462	Lipid	0.42857143	1.3333334	0.0952381
8	C21 H28 O9 N2	453.18677	453.18744	-0.11803823	453.1867	66210	64292	52980	72392	25961	28816	37540	70821	38957	82558	37484	41222	44506	15193	48697	72215	42470	42113	53257	82509	80366	114343	48457	78266	36386	11668	36163	35211	57871	52635	57769	68727	71411	54455	116406	56351	75181	39910	52595	74587	62855	32460	0	0	0	74266	69301	0	68279	55210	59455	63310	25830	0	47722	26359	22917	67452	62080	39418	70362	52590	45844	36114	17590	37310	36389	52228	20366	32260	28415	64673	56096	54776	35132	55921	0	43493	47479	41031	34788	37411	42890	40607	23267	21287	39418	28479	32799	67904	66331	98897	99147	56020	77176	0	66618	68282	22747	26436	34038	63073	36599	83349	35989	66684	25172	0	43978	51492	Lipid	0.42857143	1.3333334	0.0952381
4	C21 H28 O9 N2	453.18677	453.18756	-0.09409608	453.1867	11450	11049	11756	10001	6644	6919	6178	15160	7739	10826	7690	7156	12001	4128	9194	12530	10716	9809	10101	12872	13711	17108	10608	14128	8163	3144	6436	3787	9359	9040	9670	9703	14752	8315	18920	10275	12996	7031	17376	12341	12719	6343	0	0	0	12430	16752	0	11857	10652	10864	11359	5637	0	11926	7901	3734	13145	8690	9175	11302	6959	11423	7972	5593	10365	6261	13284	4613	4654	4756	11537	8150	11444	4801	8314	0	7276	10733	8789	8654	7264	7801	5895	9385	6087	10306	6949	7231	13543	13465	14485	23703	9352	12910	0	10460	12493	6192	8525	10866	9159	7151	17743	7660	11742	6319	0	7676	10812	Lipid	0.42857143	1.3333334	0.0952381
20	C26 H28 O7	453.19077	453.19128	-0.08771311	453.19073	148417	159331	135655	139980	145203	70761	68060	111696	116263	213611	193194	72309	124192	99198	104837	112728	101854	110050	146022	246841	282474	128910	92145	133067	91137	528931	67797	179875	92449	85993	84039	84539	113727	76616	258094	95756	104999	82630	94716	191055	220012	84159	2964	848	370	117586	149571	1077	101844	93653	137012	144980	99674	641	115128	108572	73904	111387	84818	83593	116494	130056	133498	107225	75015	123436	85188	97542	416328	498733	659130	84829	79295	80877	85828	89069	0	82030	151492	97756	120317	85502	93711	207551	138123	74876	148201	83247	89971	128250	115384	114412	150579	105747	118396	1450	138189	144487	110812	125288	127077	103359	70766	117798	84704	108124	110342	0	97274	129606	Phytochemical	0.26923078	1.0769231	0.0
28	C26 H28 O7	453.19077	453.1913	-0.09017907	453.19073	9741	11022	12939	9656	14125	6366	4613	7417	13520	15364	17971	5016	16411	6968	4611	8109	5993	10993	15923	20052	21120	9648	7728	9706	5201	48813	3683	16702	6759	5526	6180	5082	7407	4033	24642	5545	7215	5329	5119	13276	22048	4654	0	0	0	9755	13550	0	7497	5127	9185	12535	10156	0	12725	13460	5273	8453	4825	4180	8454	9897	13563	9128	5445	16184	10155	8161	49643	45272	78724	5381	4858	4192	3657	5637	0	4937	10306	9060	8236	7728	5679	12863	16020	6263	10339	6071	6857	8474	7120	6404	11627	10805	9951	0	10716	12248	10154	17989	18805	7427	4178	8411	6473	7629	10314	0	4893	12706	Phytochemical	0.26923078	1.0769231	0.0
24	C26 H28 O7	453.19077	453.19125	-0.08037468	453.19073	104959	111282	96427	110966	108338	66111	34237	67016	105179	199673	201304	40899	140962	75709	60700	69612	49934	101532	127834	214933	231408	96522	68131	82533	53144	479838	37644	203770	57403	53754	49122	49636	65645	47856	262463	57824	77480	48539	51139	176243	172000	50826	2369	0	0	108438	114989	0	55511	56815	106360	94617	80685	0	98048	90482	59450	67904	58457	45607	72485	110345	116799	86413	43098	122474	80155	53846	412549	425010	529326	54238	50187	39506	35012	48840	0	50386	97647	81400	79714	78348	48422	147948	121064	67815	101040	59051	64418	70503	71634	76885	106335	97873	118006	0	102049	104580	93034	107347	115755	66374	40700	88285	71570	61746	97019	0	57939	112824	Phytochemical	0.26923078	1.0769231	0.0
14	C26 H28 O7	453.19077	453.19135	-0.13526732	453.1907	19570	16699	18546	12262	5760	5939	14446	18839	5056	20413	13094	13098	5210	5077	14045	15973	18467	6135	6101	18712	18993	10348	14211	10740	11651	26563	15249	8593	8708	13305	14034	10519	9470	9001	12294	13882	10104	10471	21285	10076	16023	7029	0	0	0	14616	18297	0	13346	13788	12650	15438	6205	0	8916	5595	7975	15116	10243	16503	0	8464	5239	8895	5862	7297	8395	19893	18682	23858	34766	10236	10391	12426	14872	13138	0	7705	19124	0	15821	12057	13408	14064	8129	4505	23587	6628	7632	41004	15908	12800	21582	7754	10846	0	12716	11284	8722	11974	10334	16076	13434	16848	0	10973	9999	0	13908	6781	Phytochemical	0.26923078	1.0769231	0.0
26	C26 H28 O7	453.19077	453.1913	-0.098900124	453.19073	36923	34278	35300	35550	46846	22409	12380	21613	44147	65318	59433	14084	55680	32728	21181	25893	16808	44169	48464	84300	85801	36909	27357	27219	18221	174072	13152	71022	17259	15015	17945	16541	19883	18063	79198	20876	24060	18566	18007	54029	66248	15902	0	0	0	39811	42197	0	18699	17076	38181	38056	33699	0	42867	46389	21453	23221	18384	16223	29200	38462	42541	32983	16860	54638	33678	18998	170246	151610	206788	18926	16734	13255	13562	18495	0	15094	35668	38239	29072	27826	19994	47123	51595	30373	42548	25053	24595	25244	26084	22950	36572	41563	38123	0	38804	38593	32099	54408	50898	26416	15063	20706	20821	20842	33329	0	20657	42605	Phytochemical	0.26923078	1.0769231	0.0
16	C26 H28 O7	453.19077	453.1913	-0.17231952	453.1907	37578	44696	40746	34986	25489	17205	27322	37264	29543	48571	39586	26467	25090	15199	30336	36822	33575	22542	29369	52144	56525	34687	32259	36886	23146	87392	25441	32584	27238	37108	31329	29153	36823	25126	45067	27307	29820	27385	47735	37930	48483	19559	715	0	0	27270	40343	0	34727	35545	38299	40728	20444	0	27037	23156	21004	40201	26938	35179	38921	23740	29798	22003	19005	24072	20381	41421	68718	88327	113925	26243	26988	31384	37866	31975	0	26061	56772	24062	37575	28221	29904	32521	32099	20000	51407	17042	19785	70504	35213	34487	46939	24496	28569	625	42942	33970	26001	30857	31466	28969	20980	32540	16167	38196	25741	0	30885	22151	Phytochemical	0.26923078	1.0769231	0.0
8	C20 H28 O8 N4	453.198	453.19867	-0.1100763	453.19794	11449	11848	8423	9520	3489	4019	6593	10318	3296	4772	3817	5751	4822	0	8983	12215	8851	5801	6838	4741	4288	11389	9315	13411	9604	0	5182	16740	10414	9094	7586	10750	11449	9238	6514	8919	11065	6667	8965	6421	3728	3750	0	0	0	5973	5327	0	11549	9087	8647	9633	3426	0	4074	2038	2752	14081	7060	4352	7876	2371	2613	4370	2917	5864	4395	8882	0	0	0	9186	9008	7368	6043	8974	0	6316	7998	56323	7196	3664	6197	2597	2312	0	9208	4728	4242	15088	94966	54866	22821	13858	7522	0	9338	10810	2628	1447	0	10559	6684	10293	0	9707	0	0	8833	5443	Peptide	0.4	1.4	0.2
4	C20 H28 O8 N4	453.198	453.19876	-0.061099064	453.19797	4962	6599	4617	4729	2418	4967	2874	4374	1781	2060	0	2455	2695	1321	4925	5679	5376	4430	3987	1897	2546	6803	4857	6128	2977	0	2157	9800	3633	3076	3306	4166	5645	2363	2826	4409	6013	2881	5638	2207	2215	3459	0	0	0	3497	2580	0	5619	4592	5097	5009	2070	0	3698	1520	1868	5977	3572	2286	5981	1959	2524	2507	1441	2625	2039	6164	0	0	0	3960	2326	3058	0	2909	0	2647	4978	116872	3177	1813	1722	800	1978	2089	4540	3089	3171	10078	77037	28156	12973	9908	5315	0	4998	5440	1208	2259	1594	5469	3897	4291	0	4169	1714	0	2979	3302	Peptide	0.4	1.4	0.2
10	C20 H28 O8 N4	453.198	453.19864	-0.05205654	453.19797	5173	6339	5142	8590	2876	1580	6727	8539	2187	4696	0	4863	3269	0	8281	5850	5714	4737	4777	3676	3601	13071	8055	11402	6888	0	4119	0	9021	7407	8606	5517	8533	7602	5514	7187	9901	8235	4792	3849	0	2051	0	0	0	3992	3860	0	6865	5653	7408	4679	2461	0	3647	0	2631	9151	3652	2749	0	0	2485	3076	2118	3390	2576	6363	0	2475	0	7524	7552	6172	3799	7783	0	5024	5915	9433	3641	3566	4151	2240	1386	1800	7106	3004	4381	9921	20027	11602	17051	4018	3828	0	5444	6899	0	1052	1337	11017	4512	7177	0	7436	2231	0	7580	4793	Peptide	0.4	1.4	0.2
6	C20 H28 O8 N4	453.198	453.19873	-0.124980494	453.19794	12797	12107	8977	10844	3657	6843	6555	12166	3635	7123	6536	5301	3823	1547	8276	13250	7710	6192	7980	4441	6174	12896	6177	11708	7763	0	5042	32299	9342	8139	8529	8877	13667	8840	7686	7335	13396	6502	8666	4600	4056	5097	0	0	0	7628	4796	0	14429	6677	11226	13035	3596	0	6683	1754	3253	16177	6295	3519	10340	2929	5007	4140	2994	5154	4628	11911	0	2739	0	9416	7191	8536	4714	6240	0	6665	7117	172925	6259	3051	5188	0	2579	4192	6658	5925	5640	17710	150677	64015	24632	27672	10341	0	11975	11820	2584	1653	3213	9764	6457	8340	0	15166	3307	0	8334	6140	Peptide	0.4	1.4	0.2
2	C20 H28 O8 N4	453.198	453.1988	-0.0864296	453.19794	4255	4775	4337	4194	2066	0	3703	3738	2182	1086	0	3437	2085	1160	3807	1006	5827	2559	3807	1189	2778	4749	4862	3016	1734	0	0	10027	5350	2256	3761	3383	6898	4182	2733	3443	4403	3472	6463	1310	2348	0	0	0	0	1791	2042	0	3976	2731	3116	4264	2014	0	3574	1087	1435	5449	2359	2300	797	1092	2974	2967	0	3450	2825	8222	0	393	0	3813	2971	2640	0	2167	0	2457	5193	45844	2772	1031	1749	664	1877	1786	5021	4044	2753	13221	13646	9587	10654	6426	0	0	3618	3310	1798	1166	1681	3740	3455	1979	1052	5675	1437	0	3677	2105	Peptide	0.4	1.4	0.2
26	C23 H32 O9	453.2119	453.21243	-0.0871349	453.21188	18685	17231	17910	17427	14162	16384	8302	23048	24486	41234	15734	7983	28183	8776	16295	12104	10477	30509	30527	37834	38839	19061	15823	18578	15367	12679	5386	10758	20023	14835	16832	22182	20910	16987	46544	20345	28857	16895	7463	18228	9689	11109	0	0	0	13316	7796	0	18606	13483	19937	17785	14892	0	32154	17911	5839	23412	15102	5623	25278	13078	28564	15742	7628	18845	13695	8696	17948	37086	27008	18176	19667	21599	11580	16037	0	17250	18590	0	14485	9187	12316	12777	16286	14758	13821	9256	13377	8847	22052	20685	26573	8469	19450	0	18839	16733	9702	17281	13587	14439	13483	19116	8120	15442	11137	0	12927	26781	Lipid	0.39130434	1.3913044	0.0
14	C23 H32 O9	453.2119	453.2125	-0.13274018	453.21185	261326	228734	229330	244784	130738	123426	219770	569804	159388	236800	169314	197074	156186	80322	453458	302402	282320	155074	200396	301940	261066	247840	213010	307664	432688	183472	206982	164522	244414	277818	447216	291518	524416	191458	252712	277602	244274	209000	279662	169714	216744	132994	0	758	444	191984	206988	0	289110	532568	235380	224200	124202	850	196442	132620	110868	325646	262722	216134	350058	140538	173480	172120	111254	140488	132902	271834	151554	207762	236818	367532	406468	572628	246024	486808	0	192404	258362	108718	223464	137110	213079	135582	174822	122438	272968	89772	141462	331564	196272	231694	597488	141272	149380	1610	234896	257790	128318	153412	171000	239348	173492	289024	133794	229168	137030	0	220484	139952	Lipid	0.39130434	1.3913044	0.0
20	C23 H32 O9	453.2119	453.21243	-0.06463161	453.21188	585411	586775	583331	521177	402190	408795	344982	713339	553862	1196483	417385	309720	633745	276488	623255	490579	237726	639389	784375	1125912	872320	616587	526345	653717	556786	418238	306979	444937	706241	559271	589234	614087	743555	543579	1342891	606403	829453	449502	267367	687153	251869	360749	12351	1937	1036	552864	248047	1962	624290	515289	598198	578539	397975	2642	784827	394457	272728	600305	683461	186349	554131	393078	639977	570886	234701	494092	405188	253627	320863	909284	432899	642827	588130	688462	308198	577806	496	482345	466065	224473	407850	254972	469334	394053	383395	325611	411313	280391	401224	247997	627583	742650	771645	290820	421367	4421	591534	600269	331602	317302	312319	650718	396729	675175	300766	565632	328453	2816	382223	735634	Lipid	0.39130434	1.3913044	0.0
12	C23 H32 O9	453.2119	453.2125	-0.15715674	453.21185	67736	65822	56639	65428	18906	17177	65608	115268	29044	37442	49578	28466	18978	11562	82175	60091	56177	25049	31315	49108	44851	50788	37038	58303	34069	30050	45023	94639	47019	51627	91686	43719	37483	33091	86322	103974	44591	42035	69067	44821	47759	20388	3163	0	0	45532	40889	0	55869	53111	59428	50402	19521	1309	38683	20497	19698	67365	60925	85556	49554	30490	34989	26850	14681	25779	25217	55959	109310	52258	55256	40552	38825	51146	56686	49566	0	32862	42031	96254	41676	32257	34485	24173	30449	18956	49804	14974	22610	68840	49369	43738	57443	33025	43120	0	66786	49452	29635	23343	27029	57228	26227	58014	0	37398	24026	0	40979	28272	Lipid	0.39130434	1.3913044	0.0
18	C23 H32 O9	453.2119	453.21243	-0.096627936	453.21185	489976	484195	471608	437160	306648	282281	340513	584681	348470	730280	384233	300804	434754	186232	464594	525565	301580	456188	583252	759487	624016	441162	476353	572570	415937	356692	306015	377713	621287	484252	518089	574279	615028	479235	734105	599249	615423	407439	308513	477994	285432	282513	9505	1505	771	423509	248972	1049	542211	479532	470733	461294	292147	2140	595431	305573	242092	512608	461531	222914	516940	300939	483892	406112	217226	392736	323023	326209	303700	617657	442304	495426	429291	546421	357260	570385	520	380058	464195	235903	412448	260836	391899	301066	341397	280329	402383	255386	333378	323801	476828	574656	602042	236120	371631	4211	482591	441408	272223	282767	285851	530746	340624	546539	216258	439131	261749	1147	352020	467689	Lipid	0.39130434	1.3913044	0.0
8	C22 H32 O8 N2	453.22314	453.22382	-0.13472669	453.22308	20355	21091	20530	18116	7185	10022	9688	26968	9075	22938	7467	10097	11701	4042	19021	24631	11223	11313	16116	26720	21106	31140	13135	27126	21915	3435	9827	8962	26455	17239	21742	27427	26152	21137	28757	19389	30621	16657	15137	18645	12110	9336	0	0	0	25204	9276	0	27590	18857	19319	17627	10334	0	13154	4492	4915	28797	7603	3801	27157	10872	11551	12161	4554	13237	11664	16391	0	14152	7409	21875	21006	20402	14459	18648	0	15770	16192	11182	8953	6175	9677	10522	5682	6075	16426	9653	12298	22148	38435	35981	45321	11520	18879	0	20057	22926	5453	5282	6972	23163	10450	27004	0	26041	6407	0	13076	14403	Lipid	0.36363637	1.4545455	0.09090909
14	C22 H32 O8 N2	453.22314	453.22366	-0.15952513	453.22308	17800	23130	18341	23786	9055	11712	19503	28121	9344	12881	5671	15778	9895	5078	19853	27127	14971	10687	15415	28863	21629	24649	21573	29841	25220	0	16238	11405	30359	24142	26534	29816	39565	23276	26989	30894	33802	20528	23720	20860	14040	14198	0	0	0	24128	7648	0	34077	25625	20564	16231	9774	0	10140	4228	8620	33185	26609	13260	33790	11575	8396	7396	7211	10097	11529	22008	0	14358	6520	20938	19606	26824	19447	23425	0	20481	16861	0	17874	12321	16560	11762	4056	7369	20900	9004	14331	29001	36251	40238	49766	18910	18926	0	20725	23291	6609	5475	3598	32238	16380	36505	0	26744	5191	0	17104	10868	Lipid	0.36363637	1.4545455	0.09090909
16	C22 H32 O8 N2	453.22314	453.22366	-0.15038295	453.22308	22715	24880	27464	20570	10687	12068	23454	32345	7407	20090	5917	18102	9023	5725	25321	27015	18928	17896	19844	27470	21412	30153	22771	28045	32762	4963	18936	11759	32787	25225	31719	34258	36904	33573	29655	32162	39351	20109	15483	22770	12607	15908	0	0	0	19641	7017	0	40477	24690	25814	26888	9381	0	12820	6720	8801	35908	31985	15117	27006	10437	5834	10520	7640	9028	19435	20701	6203	11641	0	33329	28777	31232	19711	29320	0	15195	19626	14077	15021	13777	21125	11681	9539	6740	18178	13924	16832	28255	46245	52649	41575	10451	21194	0	25595	23631	7321	4433	5374	37408	17876	33768	15146	33296	7120	0	25668	15101	Lipid	0.36363637	1.4545455	0.09090909
10	C22 H32 O8 N2	453.22314	453.22382	-0.092000745	453.2231	17523	22181	23857	19262	8255	8824	14614	29649	9238	23129	8775	12001	10004	6636	19580	21340	11785	12498	16225	30760	23794	34174	15002	28771	24565	4182	14204	7449	22583	24209	24047	28693	36503	21408	29767	22866	30200	13715	17138	25692	12627	9372	0	0	0	19620	12771	0	27625	21553	22799	23149	8872	0	17395	5950	5644	29140	9506	7452	23111	10024	10166	12553	6149	13641	12959	17500	0	12831	6810	26771	19652	24871	12214	19809	0	14540	15098	13716	15307	8978	10368	9054	4464	5862	13643	10034	11876	26087	93752	84488	48254	10721	17812	0	20192	18872	5411	4352	5888	26956	13524	28124	0	22315	5331	0	13610	11785	Lipid	0.36363637	1.4545455	0.09090909
20	C27 H32 O6	453.22717	453.22766	-0.12179207	453.2271	138385	155968	137093	128660	135645	78689	107031	126657	122134	136351	139404	104172	119152	83161	104747	169279	168564	99629	135256	167397	176270	138527	110991	147506	105024	334504	109229	129509	110023	116655	101633	120571	138877	91782	151763	115499	132426	100894	165438	132360	179602	89726	2991	0	0	92432	125723	0	119621	115800	135895	145382	113171	624	112133	105524	90078	163494	94765	126863	132835	80802	113087	108284	76253	108287	91125	192818	262842	302339	411368	86304	91844	102830	149203	133827	287	85834	177759	137591	141372	71629	106256	126704	163394	102119	193494	91655	83379	195414	137298	125660	164850	150718	148051	652	138275	145230	111618	139268	131293	154054	87125	143359	77747	133413	116357	0	127508	121652	Phytochemical	0.22222222	1.1851852	0.0
26	C27 H32 O6	453.22717	453.22772	-0.07980359	453.22714	99679	101492	100675	98644	106431	55646	47364	98070	99191	128132	176695	53474	118122	70914	75365	114189	73791	94771	127297	199573	208033	108259	72657	116658	92750	444463	46747	170629	92145	90862	78868	76177	90551	72661	167708	98249	103132	68702	73709	143125	153715	71169	0	0	0	94966	102451	0	75710	88890	102649	98929	89227	0	110011	112949	60027	91764	70073	56186	107464	95506	106265	79463	41146	103122	93641	85658	425106	299374	398431	72545	72555	79609	48729	75058	0	63345	112743	101156	77585	71373	71010	136112	127199	77093	117735	62893	73182	82740	75363	89593	125142	110448	107063	0	103635	116121	78614	132699	136040	115690	53163	110711	75291	78286	95521	0	73897	85353	Phytochemical	0.22222222	1.1851852	0.0
22	C27 H32 O6	453.22717	453.2277	-0.080305114	453.22714	232473	240396	214217	217990	248695	129325	134943	203734	201564	264516	289926	146445	151980	147210	166660	245633	217985	182076	234189	327114	344061	245314	179879	217444	167820	759913	134052	270858	187441	171322	167025	194037	223540	153925	283140	182403	209360	151181	232902	247212	319657	135969	4108	0	421	165828	196237	0	194415	179724	233487	219774	185148	930	200523	190661	134021	214658	147767	165239	217237	170384	216352	169221	118852	188316	162652	248905	596021	642451	884613	143368	140957	147115	160628	179172	542	137097	269378	218869	222086	147411	159072	198367	249437	158674	288028	153369	152116	258587	212927	211586	243482	297301	288331	0	204796	221821	187944	235254	212416	245368	140273	209639	122118	187059	202742	0	194795	215006	Phytochemical	0.22222222	1.1851852	0.0
24	C27 H32 O6	453.22717	453.22766	-0.061122295	453.22714	230563	238130	213458	220110	248565	142824	111896	184801	194590	303994	374200	117655	225197	136691	150907	207599	170345	200136	261364	397166	399253	205146	169114	211336	155434	875003	114154	340465	163011	171046	151127	168292	201088	160258	345062	179457	216468	130845	171466	301660	330474	130802	6264	0	0	195601	182320	2507	178165	166355	212000	230147	198985	0	213294	185035	120277	202363	140529	126938	208778	196506	213241	171456	99059	214321	171267	185229	738800	734033	973044	154814	141112	145395	118959	162037	0	126815	226436	188398	184064	138250	133070	257034	236434	148832	246549	130885	159945	195812	190079	204219	256121	209680	231911	0	226129	226508	171498	213092	221114	218797	109055	221095	133513	170316	194518	0	163609	193738	Phytochemical	0.22222222	1.1851852	0.0
8	C21 H32 O7 N4	453.23438	453.2353	0.02505223	453.23438	4852	7250	4964	5234	0	2885	1323	3137	2189	1821	1467	1481	796	0	1366	3253	1520	0	0	1062	0	2769	2765	5026	2892	0	0	36154	2572	1362	1835	2419	3688	2788	0	2265	3708	1485	1793	0	866	0	0	0	0	0	0	0	2865	1806	4585	4028	1271	0	1262	0	0	4884	0	0	0	0	0	768	0	960	1615	2138	0	0	0	2287	2116	1221	953	1706	0	1995	1892	187491	0	0	994	0	0	0	3435	1335	2097	3660	178728	54508	6264	21052	2999	0	4281	3846	0	0	0	2768	1013	2724	0	1857	0	0	3477	0	Peptide	0.33333334	1.5238096	0.1904762
4	C21 H32 O7 N4	453.23438	453.2352	-4.20908E-4	453.23438	2942	3207	2128	2881	980	12490	854	1410	647	0	0	1045	998	0	1522	2063	1489	1808	1164	0	0	2052	959	1622	2125	0	870	11985	1738	1617	1442	1692	3527	1015	720	1160	2061	1389	0	0	0	730	0	0	0	0	0	0	1673	1558	2884	2165	389	0	587	343	306	2049	556	467	2296	0	544	444	0	956	914	2003	0	0	0	1229	0	965	0	1132	0	986	1107	102159	863	0	401	0	0	528	1691	634	865	2997	85257	32071	6737	7265	1569	0	2494	2302	536	0	530	1770	1157	1322	0	951	631	0	1204	586	Peptide	0.33333334	1.5238096	0.1904762
6	C21 H32 O7 N4	453.23438	453.23505	-0.06641232	453.23434	7711	6489	5531	5569	1114	6747	1279	2541	651	0	2061	849	1331	493	2466	4484	1382	1684	2084	0	1234	3090	2060	3081	3189	0	1175	50220	3462	2489	2043	3947	4685	1578	0	2777	4782	1735	2230	1352	943	1372	0	0	0	0	0	0	2615	2849	7168	6832	1077	0	1795	0	882	4034	0	0	3103	0	956	1151	1154	1167	1670	2595	0	0	0	3254	2585	2139	0	1411	0	1866	1987	272001	1118	450	934	0	0	1374	1722	1525	1559	6952	203832	72487	7774	21468	4804	0	6719	5442	0	495	0	4552	2321	1875	0	3348	399	0	2848	1668	Peptide	0.33333334	1.5238096	0.1904762
10	C21 H32 O7 N4	453.23438	453.23465	0.059760403	453.2344	0	1812	3557	2270	0	0	983	2064	0	0	0	0	0	0	1060	2554	1603	0	0	0	0	1860	900	2403	1676	0	0	9303	995	0	0	2210	1509	1684	0	0	3569	0	1363	0	0	1415	0	0	0	0	0	0	1900	0	0	1754	0	0	0	0	0	4081	0	0	0	0	0	0	728	0	1171	0	0	0	0	1186	1603	1171	0	1262	0	1411	1165	50166	988	0	877	0	1057	0	2748	0	1014	1754	44879	15573	3818	2613	0	0	1494	0	0	0	0	0	0	0	0	1327	0	0	0	0	Peptide	0.33333334	1.5238096	0.1904762
2	C21 H32 O7 N4	453.23438	453.23505	0.09450292	453.2344	916	887	0	732	0	0	960	1334	0	0	0	798	0	0	1072	676	757	1094	558	0	0	1293	1226	1318	465	0	0	8972	1175	0	1054	1288	1535	1382	806	742	1535	785	2269	0	0	0	0	0	0	0	0	0	905	1170	898	1041	325	0	0	0	0	1028	456	0	580	0	0	0	0	0	438	1528	0	0	0	904	804	0	219	572	0	974	758	26588	573	0	705	0	247	0	1318	603	636	2219	12203	8270	4433	883	0	0	0	659	0	0	0	0	947	257	0	1432	0	0	1136	0	Peptide	0.33333334	1.5238096	0.1904762
14	C24 H36 O8	453.2483	453.24884	-0.16164376	453.24823	12203	8168	9972	9863	5440	4363	16822	12456	3423	3353	4451	8335	0	2811	9920	12870	28810	3076	4158	7377	1802	6785	6507	9956	6190	2479	12707	0	11060	11445	9428	12366	9232	8644	0	15650	8134	9895	26314	1400	3428	6349	0	0	0	5064	5545	0	9566	11949	6725	9790	5553	0	7038	6242	5702	20346	0	7075	0	0	3460	4111	4020	2667	7698	28066	0	3871	3216	3854	8167	18374	23299	13240	0	8195	10285	0	8906	3313	8393	2416	7012	6350	14773	3083	7395	21221	8104	11358	11972	0	3828	0	9210	6894	2859	7176	10087	11639	8403	9866	0	8687	8803	0	10767	2918	Lipid	0.33333334	1.5	0.0
16	C24 H36 O8	453.2483	453.24884	-0.17547154	453.24823	25155	28013	27909	26928	10701	11180	37308	31560	17190	10547	8095	25204	15102	10091	31629	39955	54358	9717	26280	17867	13894	21787	28297	34102	23253	10243	33707	10099	33536	36922	30963	36007	30973	20165	15560	41751	31018	22200	61322	13334	4397	15395	350	0	0	13555	23480	0	40544	32519	29859	31030	13949	0	21498	16832	15692	36297	13078	25029	37599	3662	20743	17694	16875	13096	19227	50480	8664	11224	15041	20558	26334	37376	44057	28054	0	22119	35724	16623	21872	10959	28011	15936	29850	19312	36147	13290	15872	48513	21744	24688	33915	9494	10011	0	24568	22303	13132	23069	31293	34644	20572	24611	5980	27647	20981	0	27235	13615	Lipid	0.33333334	1.5	0.0
26	C24 H36 O8	453.2483	453.24884	-0.10397198	453.24826	32856	31091	37270	31524	27470	20903	27263	40379	38972	46432	23208	15408	50470	21301	49974	33458	14484	38364	62996	56580	45817	35849	24757	33926	37175	14917	19973	26961	41015	35132	34055	44438	56051	34227	69225	42850	63262	37833	15188	30427	9293	22867	0	0	0	30074	6686	0	38073	19681	35883	28878	22741	0	57124	33985	20074	39017	44700	7250	33059	21126	43241	30505	9505	38637	33446	18904	18406	50951	21649	30646	32035	36607	14852	28674	0	31724	27299	9935	18096	15666	34788	24284	25081	17249	29559	19426	25086	20732	57095	68879	53783	16281	30301	0	33158	34885	17554	24921	25393	49931	22414	35442	30510	32196	20441	0	23960	43418	Lipid	0.33333334	1.5	0.0
14	C21 H40 O8 S1	453.25168	453.25198	-0.41823444	453.25146	0	1907	0	0	0	0	0	1595	0	2878	0	0	0	0	0	4555	0	0	0	0	0	0	0	0	0	0	0	0	1470	0	1590	0	1959	2216	8602	0	0	0	0	1309	0	0	0	0	0	0	0	0	2315	0	0	0	0	298	0	0	0	0	0	0	0	0	0	11943	0	0	0	0	0	2118	0	0	5439	3678	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5661	0	0	0	0	0	3051	0	0	0	0	0	0	32343	0	0	0	0	0	0	Organosulfur	0.3809524	1.9047619	0.0
20	C28 H36 O5	453.26355	453.26404	-0.1656151	453.2635	60246	55987	44694	45474	52360	21410	61411	59420	53164	26062	29723	44481	28256	34801	50807	80278	121170	24384	55980	38697	36077	36334	42807	46629	48089	50571	71882	33316	57600	69774	45195	56950	69717	40304	28617	65961	50727	49683	129312	21641	44358	36980	0	0	0	22515	33363	0	61106	55836	55690	61963	47554	0	52995	59622	38562	76611	29598	49412	49416	19414	37821	40374	42563	29611	33994	138213	39422	46258	73382	30281	40134	66029	91322	58814	0	41101	92293	32978	64680	24639	52278	24756	93830	52367	82027	39330	32734	142901	80918	76892	70219	30267	33847	0	54882	44821	45216	83709	92854	85166	40663	61184	17489	47175	63574	0	67091	30812	Phytochemical	0.17857143	1.2857143	0.0
26	C28 H36 O5	453.26355	453.2641	-0.08684442	453.26352	166407	159645	170280	151021	240753	100112	101479	176631	174276	137597	233837	101729	164053	121491	130400	191798	152978	154766	250150	223271	193945	139801	117919	163665	150645	546230	107071	252824	175415	196149	149296	172808	201411	127948	174956	214215	178959	120832	155470	177244	185751	132863	0	0	0	137052	114825	0	158711	168553	177038	162525	180956	0	215361	206641	112316	169720	130237	103734	170972	116266	164475	152803	82132	160062	161497	191850	455281	291712	384750	117167	133559	191186	139241	174289	0	118428	174416	180887	135149	108947	142045	168235	280145	150583	215016	114680	125714	145833	133035	154646	189812	147319	134710	0	169474	180275	152315	285113	298319	250314	101448	201518	104065	130029	221198	0	149850	136435	Phytochemical	0.17857143	1.2857143	0.0
26	C27 H36 O4 N2	453.27478	453.27545	0.06473339	453.2748	1899	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12471	0	13595	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3027	0	0	0	1559	0	0	0	0	0	0	0	0	3268	0	12051	0	0	0	0	0	2768	0	0	15889	1764	0	95477	0	0	0	0	0	0	0	0	0	0	0	0	13352	0	0	5611	0	Lipid	0.14814815	1.3333334	0.074074075
20	C25 H40 O7	453.28467	453.28513	-0.15198466	453.2846	3871	5989	4716	7829	4115	3524	25004	4522	2262	2415	1816	2995	2348	5388	5839	10080	17782	4082	4256	0	0	1930	3448	3660	7310	2458	19741	3726	6736	9474	7611	10111	8505	4323	0	7484	5831	7301	22136	0	2702	6038	5574	0	0	0	0	0	7781	5794	6193	4914	3381	0	5248	7991	4776	8995	2804	2972	5312	0	4391	3722	9307	5883	6126	21467	1656	1764	0	4256	6718	9098	17165	5454	0	4415	7151	3285	3841	1178	30419	22222	6564	5277	9167	4283	4830	10982	3432	3614	5802	0	0	0	7388	6410	2031	7846	15109	11459	3358	4684	2183	3625	5966	0	5555	2477	Lipid	0.28	1.6	0.0
22	C25 H40 O7	453.28467	453.28513	-0.19885692	453.28458	15570	22507	20653	18093	13830	11054	88605	24759	14006	8110	8717	10202	11746	17126	15269	24563	27310	14412	27199	7802	7812	7334	12992	13788	16608	15297	64256	12946	31247	23629	17442	31263	25442	18184	8980	31279	26071	14315	37463	2139	6520	13640	0	0	0	6542	8143	0	22397	11110	22244	18543	19434	0	20763	16634	12657	30620	7540	10055	22962	2619	17479	13248	15468	22949	27298	33037	2220	7525	4571	13424	19008	22605	24382	22643	0	10773	15622	11136	7884	6313	79560	53431	18294	20934	23903	13696	15017	27265	22590	23036	18854	4002	7327	0	18597	17009	9106	25385	24393	35901	13184	16092	7508	15282	16267	0	18919	16096	Lipid	0.28	1.6	0.0
22	C29 H40 O4	453.29993	453.30038	-0.20508121	453.29984	20482	26169	24996	28046	28106	11112	41044	27905	26320	1976	10810	27658	8488	31360	33942	42485	112014	11241	20692	2661	5170	9602	21644	19349	33963	7965	42366	12825	30696	44404	24781	30503	28330	12909	6281	40731	21241	31808	115591	5339	15370	18960	0	0	0	6988	17763	0	30709	35492	28031	25856	23253	0	28784	34823	26507	38673	10854	28495	32787	3052	14438	20742	27864	10379	21313	129303	7710	5990	8660	9212	13641	34053	66867	39490	0	19960	50229	23097	36204	11153	23316	7414	50444	42493	58372	20384	20180	104723	14984	19800	24815	11156	7886	0	31252	25908	29185	57524	55260	45856	27439	18043	9075	29231	46289	0	35129	8143	Lipid	0.13793103	1.3793104	0.0
12	C23 H40 O5 N4	453.30716	453.30734	0.28169116	453.30728	0	0	0	0	2758	3021	0	0	0	0	0	0	0	882	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	990	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24988	2979	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2173913	1.7391304	0.17391305
26	C26 H44 O6	453.32108	453.3214	-0.1983862	453.32098	8888	11006	7020	6956	2863	3156	178580	8190	2108	2318	7921	10876	5160	31368	0	5968	12574	0	0	0	0	0	0	0	0	12331	165584	18203	11104	16304	7827	10318	6931	5850	1575	11478	7040	3635	7604	0	3745	6646	0	0	0	0	0	0	14976	8456	9730	8252	4497	0	0	0	5179	8832	14564	8114	9189	9223	7638	0	20675	10524	15185	7637	0	2284	4013	4760	11497	11136	7394	10021	0	7882	0	13907	0	8189	27167	26191	0	0	7969	2658	4157	4868	21404	14222	0	2148	0	0	8905	12467	4771	3007	5169	10575	10581	10708	15286	2610	0	0	4640	2827	Lipid	0.23076923	1.6923077	0.0
28	C26 H44 O6	453.32108	453.3215	-0.12974907	453.321	1527	1932	2551	3136	0	1499	62382	2634	1199	915	4222	1095	0	5648	2823	0	3427	0	1998	0	0	1394	1990	0	2852	2848	37664	9144	2623	4639	2205	2880	1299	2601	776	4296	2759	1786	3226	1169	1216	0	0	0	0	2115	0	0	1746	2294	1480	1245	2023	0	1784	1992	1577	2456	23425	1764	3208	9431	2638	1593	5295	3015	4495	2402	2467	0	1114	1092	2217	2370	0	1639	0	1966	1547	7163	4989	3623	5350	4795	0	1990	3795	0	1609	1759	8661	5935	0	1225	0	0	2263	2657	1843	3182	6601	2738	1617	3802	21319	1309	1843	0	1951	1366	Lipid	0.23076923	1.6923077	0.0
24	C26 H44 O6	453.32108	453.32144	-0.17700273	453.32098	1156	3777	1545	4042	1367	1292	67330	1943	0	0	1096	1255	2026	10087	0	1568	6874	1261	1525	0	0	0	0	0	1244	4511	56280	6630	5002	4181	2859	5743	6181	2263	0	2902	4835	1250	9672	0	1156	1203	0	0	0	0	0	0	5114	1826	3903	3433	1533	0	0	1400	967	3375	1160	1952	4985	0	1838	0	6112	2275	4229	8114	0	0	1548	1260	2816	9903	4786	2105	0	0	0	3390	1827	1015	18106	16310	0	0	3480	0	1471	3632	6798	2480	0	0	0	0	2299	3659	1494	2184	2875	7690	975	1301	1887	2303	1808	0	1047	0	Lipid	0.23076923	1.6923077	0.0
22	C30 H44 O3	453.33633	453.3367	-0.14965487	453.33624	2282	1958	1967	1999	0	1246	8190	6046	1981	0	0	7649	0	0	5431	5794	35036	0	0	0	0	0	2546	2088	6107	0	6634	0	4123	11955	6723	4462	3400	0	0	8457	3195	5332	30006	0	0	0	0	0	0	0	0	0	2425	14261	0	4145	0	0	0	0	2837	2408	0	1402	2155	0	0	0	2400	0	0	35356	0	0	0	0	0	10249	14303	7554	0	3718	10777	0	5085	0	0	0	0	2996	11823	0	1220	22137	0	0	2875	0	0	0	0	1986	1941	2835	1538	7119	6156	1658	0	3616	1854	0	8319	0	Lipid	0.1	1.4666667	0.0
24	C30 H44 O3	453.33633	453.33673	-0.17923306	453.33624	22595	16042	14449	15545	4880	4187	29011	13614	6163	0	2335	20606	0	8336	22031	19674	104433	3026	7294	0	0	4146	11434	4634	27847	0	32392	3281	8627	31273	11946	14393	8579	3385	0	19473	8119	28070	96256	0	1847	7320	0	0	0	1267	2727	0	8715	24680	15410	16492	8476	0	5491	10864	15376	18278	4693	12952	12046	0	0	2262	15237	0	7249	110943	0	0	0	1016	3635	22638	35996	17920	0	14927	51836	50251	19018	3467	6172	0	16562	23873	69998	6004	7510	336066	5098	4821	51841	8181	3509	0	10443	16312	12816	15322	19040	25079	15481	3709	2661	11292	13537	0	42092	0	Lipid	0.1	1.4666667	0.0
6	C24 H44 O4 N4	453.34354	453.34457	0.2141515	453.34363	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	550	0	0	0	0	0	0	0	10722	0	0	0	14914	8185	8141	0	0	0	0	0	0	0	0	0	0	0	0	0	2312	79570	0	0	0	0	0	0	0	0	0	0	0	0	0	1456	22283	0	0	0	0	0	8740	0	0	0	Peptide	0.16666667	1.8333334	0.16666667
8	C24 H44 O4 N4	453.34354	453.3443	-0.28776306	453.3434	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1125	3345	0	0	0	0	0	0	0	118231	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31793	379588	0	0	0	0	0	0	0	0	0	0	0	0	0	2287	172505	0	0	0	0	0	133894	0	0	0	Peptide	0.16666667	1.8333334	0.16666667
28	C27 H48 O5	453.35745	453.3578	-0.1008169	453.3574	1281	2020	1597	2973	0	909	174366	0	0	0	9345	1169	0	4829	0	0	0	0	0	0	0	0	0	0	0	9606	142804	7743	0	0	0	0	0	1081	0	0	0	1458	1395	0	1358	0	0	0	0	0	0	0	0	2289	1685	1101	0	0	0	0	1486	0	1367	1655	4920	1460	1036	890	6526	0	0	0	7364	0	0	0	0	0	0	0	0	1091	794	6089	0	3514	2584	5274	0	0	995	0	0	1357	1954	0	0	1099	0	0	1636	0	2561	0	2246	0	2558	5025	4627	0	0	0	1514	711	Lipid	0.18518518	1.7777778	0.0
26	C27 H48 O5	453.35745	453.35748	-0.24844812	453.35733	0	0	2046	0	0	0	58171	0	0	0	4968	0	0	9289	0	0	0	0	0	0	0	0	0	0	0	0	53286	3408	0	0	0	0	0	0	0	0	0	0	5244	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1812	0	9653	0	0	3841	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8561	0	0	0	0	0	0	1664	2060	0	1870	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.18518518	1.7777778	0.0
22	C22 H15 O10 N1	454.07687	454.07742	-0.05642621	454.07684	4758	4785	4487	4649	6966	4565	2331	0	7415	10190	2573	1763	5394	0	1381	2336	0	7136	5589	5992	8112	21435	3489	0	3078	1778	1371	2840	0	0	0	0	1913	0	11235	0	2771	2509	0	6541	14434	3135	0	0	0	7834	18760	0	0	0	2933	5122	6024	329	11682	4067	3349	2201	2085	2683	2111	7875	10095	6144	3873	5741	3413	0	5268	4757	12311	0	1363	0	1026	0	289	0	7205	12932	5040	7607	0	4462	9220	4591	3790	3405	2229	4051	2945	3973	3989	25540	21323	0	4373	5463	4848	9046	4617	0	0	3489	7810	0	4418	0	2693	13222	Phytochemical	0.45454547	0.6818182	0.045454547
16	C22 H15 O10 N1	454.07687	454.0775	-0.021697825	454.07687	15100	15608	16406	20912	22226	10480	2908	0	23712	45432	28576	2210	35738	8850	6258	0	4008	25590	19032	25762	44976	79234	7418	4024	3708	13784	2594	5142	0	0	2442	0	0	0	92636	0	6702	3062	1380	45290	57420	2880	692	0	0	24034	35846	0	0	0	16314	16954	15508	0	25930	14696	1998	0	8618	8102	0	36590	36328	19092	8890	22028	5088	0	29098	25700	41952	0	0	0	3552	0	0	1976	13228	50536	4672	20368	2182	23970	31186	7322	11906	6164	5378	0	10506	25456	0	78358	97086	0	13324	7256	10528	22492	17452	0	2330	6016	9474	0	13850	0	6376	36678	Phytochemical	0.45454547	0.6818182	0.045454547
24	C22 H15 O10 N1	454.07687	454.07736	-0.04456825	454.07684	3980	3946	2365	2100	4195	3658	1468	0	7326	11157	1926	861	7580	2314	1955	1281	0	5533	5054	2322	4431	14817	1780	2964	0	1545	0	0	0	0	1602	0	0	0	9912	0	0	1568	1597	6429	11524	2857	0	0	0	7735	12041	0	1212	0	3450	3613	3173	0	6264	2766	1598	1436	1162	2611	1604	4055	9985	4731	2481	4954	2714	0	2849	2414	4395	811	0	0	0	0	0	1158	3889	11399	3502	5827	1565	2671	6930	0	3540	3354	2731	3224	0	2011	3447	20000	24302	0	2880	2351	3053	5440	4284	1590	0	2236	4587	2532	3657	0	2096	10330	Phytochemical	0.45454547	0.6818182	0.045454547
26	C22 H15 O10 N1	454.07687	454.07727	-0.1277908	454.0768	3887	2613	2883	0	3363	2321	0	0	6092	8068	0	0	0	2179	0	0	0	6465	5183	0	7488	14620	0	0	0	0	0	0	0	0	0	0	1736	0	9796	0	0	0	0	3252	6668	0	0	0	0	0	7478	0	0	0	3097	4027	0	0	4421	0	3479	0	2479	0	0	4034	9830	7019	0	3162	0	0	0	3614	4548	0	0	0	0	0	0	0	2271	8747	3012	4511	0	2869	0	0	2354	2829	2405	1838	1692	0	0	15750	22497	0	3087	0	2739	3386	0	0	0	0	0	1727	0	0	0	9629	Phytochemical	0.45454547	0.6818182	0.045454547
20	C22 H15 O10 N1	454.07687	454.0774	-0.020629851	454.07687	6585	9836	7291	4344	10053	4010	1500	0	12690	16397	7230	1532	11082	2846	2866	0	1283	6218	9173	8859	15070	18653	2843	3548	0	3171	1283	3219	2499	0	0	0	3036	0	24162	0	2538	2371	1835	12363	18009	1254	549	0	0	10464	19246	0	0	0	5665	7514	3929	0	9535	6704	2625	1587	2370	3744	2829	9879	17217	8435	3973	9751	4721	2498	8537	3543	10038	0	0	0	0	0	0	2445	4340	16143	4055	6288	1138	7852	10087	5208	7484	4605	3025	4632	2499	2398	5060	31673	27255	0	7926	3802	5958	7001	11644	2264	0	1277	5882	0	3897	0	2026	10287	Phytochemical	0.45454547	0.6818182	0.045454547
18	C22 H15 O10 N1	454.07687	454.07748	0.052103017	454.0769	6628	5380	5746	7377	7001	0	1473	0	7585	25046	6461	0	11354	2154	0	2032	0	8223	8951	9293	14297	16264	2947	0	1897	5674	0	5930	0	0	0	0	0	0	31383	0	0	0	2314	9708	18397	2051	0	0	0	9878	17693	0	0	0	4766	6813	3826	0	9656	8326	2351	2465	1461	0	0	8449	15256	5334	3310	8335	4238	0	5725	7428	10805	0	0	0	0	0	0	1913	1786	19540	2531	8748	1803	7691	7937	2650	6862	4270	2338	2923	4197	3169	2225	24332	23813	0	7574	4788	6756	6349	8098	2319	1248	1850	5020	1511	4752	0	1969	8188	Phytochemical	0.45454547	0.6818182	0.045454547
18	C19 H19 O10 N1 S1	454.08023	454.0809	0.09660035	454.0803	4654	4475	2995	4799	5115	2567	0	1591	3644	11254	7374	0	8735	1396	0	0	0	6572	6227	4898	9400	18323	1491	1185	0	2256	1184	1975	0	0	0	0	3235	0	13877	0	0	0	0	11968	9730	0	302	0	0	7640	8713	0	0	0	3478	2198	4065	0	5348	2043	1786	2453	1990	2232	0	9049	4500	3111	1348	4219	2481	1851	4412	5334	4403	0	0	0	0	0	0	0	0	11813	2380	3353	1600	4935	4603	2880	1991	1671	2335	2744	4991	5980	3908	15663	23393	0	3511	2026	2786	0	4455	0	0	2332	4867	3738	2556	0	0	6491	Organosulfur	0.5263158	1.0	0.05263158
26	C14 H19 O14 N3	454.09396	454.09497	0.25548646	454.0941	0	0	0	0	0	0	0	0	0	0	0	3711	0	0	38338	0	11720	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32112	10800	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5670	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	1.0	1.3571428	0.21428572
16	C19 H19 O12 N1	454.098	454.09863	0.032111067	454.09802	40314	37412	34339	37415	64041	34320	7094	15939	70519	36583	37692	15957	136488	26809	26726	16168	23119	94629	84827	38171	76757	100445	40613	16877	6784	5029	10516	12166	8930	7145	9771	14264	21508	9334	69805	9304	20097	17976	14089	33321	55561	34364	1843	0	295	61114	132607	1011	11332	15736	40573	39751	49967	576	103541	75137	29777	12917	17563	14448	18465	53551	119271	75862	33200	71268	40731	14046	24442	7161	19680	13833	10149	8037	14945	9016	415	16947	31511	80600	20534	61447	7721	11973	81906	37806	30080	30423	33225	0	5879	20598	0	96154	74773	614	41825	42780	51391	60280	69252	26788	16682	15678	86567	25228	58252	327	7838	109458	Phytochemical	0.6315789	1.0	0.05263158
18	C19 H19 O12 N1	454.098	454.0986	0.04131016	454.09802	64341	83613	77601	68790	139287	119349	19110	35727	140337	56454	59154	25422	351903	72276	48042	44547	33990	209106	178023	57999	129567	188088	79830	39564	13914	17299	13887	21396	23724	16464	20238	18528	31206	21453	110826	14208	38550	42906	17868	71412	98934	79071	6408	1533	1422	108273	273657	1821	22473	23358	78714	75741	104661	1269	232122	150006	70320	24090	30549	34569	19143	111066	227688	169482	75216	141582	84120	26535	44352	16242	30990	26622	10830	16260	26247	17694	1374	36363	66774	162366	50718	133737	14583	19704	187797	93168	42522	64416	58656	20286	16878	28188	64623	195048	162426	1521	82086	97860	124062	122487	158139	55119	33309	26343	199908	34050	129360	0	15960	237555	Phytochemical	0.6315789	1.0	0.05263158
28	C19 H19 O12 N1	454.098	454.09848	-0.06354276	454.09796	5075	5292	7326	3765	7931	5457	1292	0	10482	8670	4906	1124	17842	2231	2654	0	0	11190	8479	10417	14271	10586	3182	0	0	0	0	1731	0	0	1328	0	1233	0	11423	0	1923	1709	0	7008	7966	0	0	0	0	13364	25802	0	1271	0	5782	5374	5855	0	10445	8233	1982	0	0	1606	0	7584	11593	7887	2945	8483	3375	1653	4163	5247	6204	0	1287	0	0	0	0	1483	4439	4793	2083	8703	0	1506	10496	2830	1347	1397	2830	0	1577	2019	0	10038	8385	0	4842	5614	7517	4287	5708	1914	1948	0	18042	1919	6454	0	1363	16246	Phytochemical	0.6315789	1.0	0.05263158
26	C19 H19 O12 N1	454.098	454.09866	0.020187294	454.09802	4751	4963	4445	3275	7206	5206	0	0	9274	7648	0	0	19337	2918	0	0	0	14251	9382	7422	9856	7930	0	0	0	0	0	0	0	0	0	0	0	0	8496	0	0	0	0	3999	5402	0	0	0	0	9711	27810	0	0	0	5067	3655	4775	0	13800	8328	0	0	0	0	0	6724	15303	6095	0	6191	0	0	0	2145	4164	0	0	0	0	0	0	0	0	0	0	10397	0	0	9178	0	0	0	0	0	0	1478	0	9630	9395	0	2539	0	4433	4351	5479	0	0	0	17253	0	7024	0	0	16831	Phytochemical	0.6315789	1.0	0.05263158
20	C19 H19 O12 N1	454.098	454.0986	0.012725144	454.09802	11569	13358	14086	15229	28435	20260	2168	5397	28634	13661	5575	5156	57270	9885	9140	7014	4235	41690	27203	14262	26954	24924	12879	4383	4651	1780	2029	4394	1512	2923	2866	4904	5410	1900	16109	2471	6087	7670	3100	12644	18938	11698	1558	0	391	24444	68482	782	2976	3936	14599	14110	19952	482	37153	36950	11737	3625	10877	6241	5414	22131	44670	33019	14627	31504	14567	3823	11589	3050	5851	3809	1918	2696	4639	2379	627	6323	9145	26513	9230	29134	3628	0	42584	22467	7573	11915	9645	6224	5690	7090	9678	38308	22894	0	13292	17891	27807	25460	30382	9516	6276	7312	47982	7330	26673	0	4016	53488	Phytochemical	0.6315789	1.0	0.05263158
22	C19 H19 O12 N1	454.098	454.09866	0.1152133	454.09805	6567	6863	6450	8400	14498	9215	1162	3098	15110	7341	4820	3230	32337	8789	4038	2584	2060	24413	14586	6511	12663	17658	3878	2208	1267	0	0	1418	2031	1295	1146	0	2807	2090	5710	1590	0	3457	0	5315	10003	4163	0	0	590	16345	38458	0	1451	2280	8081	7367	5700	370	20416	19519	5390	2958	4933	3256	1931	11705	17276	17969	5063	14899	5324	0	4260	3479	6722	1871	0	1583	0	0	590	3873	3034	14671	3807	21594	1120	2674	26194	11942	2695	4192	4949	2342	2365	0	4054	18565	8219	0	6852	9851	8251	16914	12568	3082	3354	3799	31020	1370	15151	0	0	26341	Phytochemical	0.6315789	1.0	0.05263158
8	C19 H19 O12 N1	454.098	454.0988	0.07595707	454.09802	20970	23474	12656	17306	24462	12139	3756	7940	36476	19668	32998	9896	54954	6578	5984	9532	11174	31308	31920	24711	39118	46005	12974	5820	0	2114	5075	0	3416	4252	4004	3262	8216	2152	35242	3324	10136	8900	10408	18334	44660	11476	0	0	0	22236	56574	0	3242	5352	20050	23542	17770	0	42872	42123	14420	8879	5196	12476	0	15330	82348	42490	13300	30788	16722	14710	0	3730	7522	8466	3516	4539	8591	2234	0	7426	11334	12988	8416	13988	2792	3462	41444	15478	10016	15032	12294	14878	0	0	11954	41340	33136	0	22594	22152	34708	44660	31916	15266	6884	4724	15384	8688	33432	0	3164	59078	Phytochemical	0.6315789	1.0	0.05263158
12	C19 H19 O12 N1	454.098	454.0987	0.04640463	454.09802	28299	40513	33480	32902	48441	25106	9497	11496	65219	41604	47398	19618	85657	14611	14543	13796	25986	67072	69058	46436	89580	106498	27012	15401	3190	3599	5188	8895	7317	8033	8862	7820	20219	10866	68099	11512	19116	18361	13914	32842	91163	26964	859	0	0	46293	128723	0	10298	12533	32761	33384	33707	0	73744	59841	27300	11697	13718	27380	0	46169	120330	68334	25061	59535	31434	22678	20792	7755	22966	9282	11254	9537	13979	8412	0	16657	24908	64662	20018	46267	7760	9585	59077	27456	20989	23729	23248	22338	5175	15574	30044	120772	51845	0	43229	45379	59943	50495	62366	21532	17390	21402	84665	17132	60425	0	6878	94846	Phytochemical	0.6315789	1.0	0.05263158
26	C23 H19 O9 N1	454.11325	454.1138	-0.16927509	454.1132	2272	5720	0	2464	2986	2397	0	0	3176	13095	5159	0	0	0	0	0	0	0	0	5112	9545	9174	0	0	0	0	0	2863	0	0	0	0	0	0	12028	0	1746	3645	0	7515	10065	0	0	0	0	9731	15392	0	0	0	4087	4817	0	0	4996	0	0	0	0	0	0	3726	3732	4653	0	3166	0	1949	6695	9079	15192	0	0	0	0	0	0	0	2831	14898	0	4905	0	4744	0	0	2933	0	0	0	0	2503	0	14760	21570	0	3667	0	3147	0	0	0	0	0	0	0	0	0	0	3359	Phytochemical	0.39130434	0.82608694	0.04347826
22	C23 H19 O9 N1	454.11325	454.11377	-0.09842929	454.11322	11882	8844	4774	8083	12051	6453	1815	1669	11630	40910	22304	1498	10518	6493	3274	2516	2314	11786	10962	13895	26240	25966	5674	3812	3433	19713	1341	12171	1564	1009	1756	0	1647	1784	38369	1987	3022	4561	3414	22395	24961	3066	0	0	0	27388	37099	0	2316	0	11132	7579	5378	0	7460	6048	3950	3685	1970	3654	3365	14144	14792	10444	4178	14280	7205	2601	27735	29559	41388	1203	965	0	1031	0	0	1850	5263	25708	3191	20505	3485	16123	12001	4796	5610	5575	4545	5989	5046	8355	2229	42325	42092	0	7792	11285	8071	7118	8475	3358	1330	5717	23016	3914	5961	0	4980	12283	Phytochemical	0.39130434	0.82608694	0.04347826
20	C23 H19 O9 N1	454.11325	454.1138	-0.043162	454.11325	10473	14649	19240	12869	14515	4856	3507	3177	15252	65797	38318	2260	12077	8457	4538	4211	6258	10867	9825	35493	41890	46413	5200	4670	4800	43458	2571	23907	2946	2105	1990	2948	2413	1668	72142	0	5531	3500	5224	36972	43137	5666	588	0	0	26841	49578	0	3273	2544	12389	10667	10073	0	18089	13602	4965	6914	5077	6038	8720	22847	19274	10209	7263	17474	10246	3944	41210	54461	73365	0	2060	0	3082	1637	0	2262	10336	41950	6828	22669	5971	28526	14415	6912	8748	5814	8300	8782	13857	9733	10681	56392	48636	0	18122	12742	11294	15316	10561	4965	1952	6557	24152	8864	12393	0	4184	20295	Phytochemical	0.39130434	0.82608694	0.04347826
24	C23 H19 O9 N1	454.11325	454.11368	-0.09620224	454.11322	5026	8586	5325	6039	5934	1549	1524	0	5201	21576	11750	0	5951	1712	0	2385	2688	4294	8103	10822	13495	20405	3014	4027	1335	8362	0	6346	0	0	1291	1891	1638	0	25058	0	2842	2088	2223	8902	19002	1459	0	0	0	12335	20557	0	1208	0	4567	4728	5502	0	6488	5370	3070	1885	1774	1102	0	7105	9890	6121	1456	6949	4240	1606	13756	12010	24649	815	0	0	0	0	0	1001	3900	17665	4348	11282	2069	5926	8067	0	3733	2835	2686	0	3513	4001	3037	21104	29708	0	8157	4253	3693	4533	2682	0	883	1758	9382	1798	2783	0	1369	7004	Phytochemical	0.39130434	0.82608694	0.04347826
16	C23 H19 O9 N1	454.11325	454.1139	0.051786046	454.11328	8990	12790	13698	13072	11596	6781	1809	0	10133	66426	36033	1824	15835	5800	2752	4866	3604	15877	14931	37300	40972	33372	3939	4579	1629	41719	2220	28032	2405	1880	1332	0	5482	1520	88513	1594	3736	1923	3232	27426	32172	2805	0	0	0	19570	28282	0	0	1099	15956	10562	7487	0	14354	8234	3445	2713	1787	6037	0	21500	17072	10303	4985	11185	4841	3689	45606	59155	76290	0	0	0	0	2161	0	1576	7690	30173	7414	19428	4326	29362	11750	4900	8718	5167	4094	0	9106	9756	0	40163	48201	0	16403	15936	13066	10881	10490	6525	1202	3507	11742	0	10295	0	3820	14145	Phytochemical	0.39130434	0.82608694	0.04347826
14	C23 H19 O9 N1	454.11325	454.11395	0.058374427	454.11328	5655	7523	7600	5321	8530	4082	2830	1620	10564	33162	21136	1468	9695	3459	2554	0	2041	4722	9026	20134	28523	19234	1745	3123	1691	35297	1133	13118	0	1863	1503	0	2326	1233	48587	0	0	0	2659	19381	19736	2717	0	0	0	13254	15096	0	1704	1499	5282	7105	3458	0	9255	6195	2515	2673	0	0	0	12786	12625	7769	3172	8016	4526	1924	50971	48469	55561	0	1037	0	1283	0	0	1687	4238	17833	3108	10790	1281	13066	7316	4093	7837	3330	2711	6973	4232	5263	3685	25139	27226	0	3876	7372	6507	8012	8939	2037	1105	0	0	2184	6380	0	1337	9023	Phytochemical	0.39130434	0.82608694	0.04347826
18	C23 H19 O9 N1	454.11325	454.11386	0.069132224	454.11328	15859	15511	13941	20149	16286	8285	3171	2167	13843	78901	50420	2348	16812	7859	4429	2944	4105	13353	15168	38466	44836	53393	2774	3663	4908	54751	3545	30998	0	2254	1364	0	5953	0	80652	0	4010	3605	3904	41695	41969	4904	466	0	0	26019	41778	0	3954	0	18506	16060	10058	0	15445	13494	5580	6295	4175	4367	3957	27054	26716	13243	5808	13014	8894	4433	45016	57430	77320	2576	0	0	2180	0	0	1722	5504	41379	8012	26782	2655	25102	20882	8384	9706	6814	7623	8520	13634	19732	6521	49310	59822	0	17588	16635	10612	18334	12041	6158	1576	6482	20008	3645	12622	0	5275	24460	Phytochemical	0.39130434	0.82608694	0.04347826
20	C20 H23 O11 N1	454.1344	454.13492	-0.0705066	454.13437	56808	44997	54982	48944	62106	54372	17096	44622	70746	105443	43704	29313	121153	36012	43690	34124	32096	101943	83837	92692	114488	90481	45091	44047	29819	62813	18643	29835	35591	29794	32875	26758	35206	29198	106671	30257	34858	29781	19801	79974	64667	30711	3943	1223	833	142347	204061	1749	34405	41732	46661	53544	42963	790	106435	66326	29948	28426	35619	19930	37764	79341	89336	68919	30720	58362	42517	22575	67335	62427	83486	0	34548	37301	26191	30186	607	32059	38902	60361	31235	104846	22932	45366	77319	45406	29571	26112	34515	19603	28352	43298	43829	75459	77022	1220	50507	62031	59326	48515	60010	37394	26614	35114	133875	38988	68395	1372	24538	106125	Phytochemical	0.55	1.15	0.05
24	C20 H23 O11 N1	454.1344	454.13492	0.007307579	454.1344	11728	10586	12594	10899	14040	11336	2937	6999	12962	24130	7943	5126	30414	4606	7198	5308	2922	23501	15753	22675	28514	17891	11287	7713	4715	7985	1819	3999	3949	6514	5545	3767	3399	4573	21139	5208	6236	4226	5436	15482	17914	5871	0	0	0	32187	45496	0	3695	3228	11057	9494	9686	0	20632	12562	4876	6395	5964	5614	5854	18006	24477	15094	4529	14091	5499	2592	17439	21721	23964	5446	3835	5256	4692	5026	0	6129	8069	11625	6991	24413	3551	8127	19569	9693	6705	5757	5409	2403	5664	0	6885	10815	27078	0	10964	12894	10167	8557	7826	3926	4743	6573	34298	3613	10139	0	3118	20635	Phytochemical	0.55	1.15	0.05
26	C20 H23 O11 N1	454.1344	454.13483	-0.060669098	454.13437	7326	7078	9102	6143	10304	8127	0	0	12985	20578	7522	0	13797	2193	0	0	0	12251	10129	22229	29220	9733	6569	0	0	8562	1828	2287	0	0	3839	0	3758	2523	20437	0	3770	2958	3970	12469	12194	0	0	0	0	17758	32403	0	4287	0	7489	6749	6757	0	10572	9180	4173	2121	4173	0	0	9488	11216	8988	0	6818	4459	2985	12250	18481	20345	6399	3445	0	0	0	0	3552	3096	0	4580	12669	3467	6605	12506	0	3184	3836	3074	2054	3340	3840	5512	4697	11132	0	7456	9758	7429	5766	5885	0	3350	0	14451	3806	6957	0	2838	13988	Phytochemical	0.55	1.15	0.05
22	C20 H23 O11 N1	454.1344	454.13498	0.004253224	454.1344	47822	45360	48072	41416	53504	47690	13030	35624	64102	100438	30764	20758	90748	21152	28920	28244	25008	91306	56884	104916	104982	77106	31368	36228	19358	42355	15314	24456	28408	18630	34163	22698	21080	23108	84962	25948	23482	29172	19502	68284	68208	23306	0	0	1504	125110	192542	0	27896	39942	46890	37126	48990	1114	62110	53308	35094	22762	23690	17642	21020	68114	93384	57054	21178	48596	23860	14476	76148	60848	63587	34174	21076	24018	25218	20950	1326	30472	32628	41268	24992	103112	13302	38304	82512	42974	27382	23658	24830	13230	15930	21730	25346	72050	73264	0	38366	55228	54558	42918	42474	24832	24754	37354	130306	25296	58320	0	19898	89314	Phytochemical	0.55	1.15	0.05
16	C20 H23 O11 N1	454.1344	454.135	0.02106196	454.1344	173221	177202	164546	179898	167231	130756	81042	160952	193880	360590	179747	93260	311864	78662	138895	137308	100555	303871	262287	395265	397677	323362	156739	157542	89930	123749	67105	108345	125539	123516	123506	118326	155844	105307	454905	132006	147038	112307	87192	285748	206015	110465	7487	1070	1099	351077	425524	949	123466	132605	187010	178680	135346	1264	253515	153454	84977	117754	150813	97726	154778	237309	270672	191558	80032	174182	138769	83359	188928	175146	191631	132107	112324	123696	92943	112139	776	102850	114457	191004	99957	265846	81427	140776	184705	109881	96271	95144	0	80933	98809	165842	194472	225561	333298	1974	171975	205737	150811	112100	137518	135281	90941	159235	310711	146976	165966	695	72611	265905	Phytochemical	0.55	1.15	0.05
10	C20 H23 O11 N1	454.1344	454.13507	0.034896825	454.1344	113566	117552	104003	105124	70822	50978	51324	98675	94789	223580	150127	73110	140138	37286	69709	97733	85941	117618	124765	190523	253106	201850	91980	108614	33271	59188	55067	64418	82276	82481	82050	87651	101264	77345	291722	82474	88918	66513	92296	175429	202736	61689	2881	0	0	154753	254856	0	81567	88539	108437	106588	63017	345	134797	76773	48988	90734	88840	91479	97086	128998	131466	101902	49384	95984	70063	95345	128563	89104	120282	84503	81243	89618	71049	75225	0	58992	79106	89483	72007	108698	51384	62608	98603	56322	68897	57128	60214	87633	43161	82714	120078	156203	184531	745	105655	123390	83245	66777	74247	107015	64469	116551	202337	84232	80102	0	51514	137533	Phytochemical	0.55	1.15	0.05
28	C20 H23 O11 N1	454.1344	454.13492	-0.05073071	454.13437	7543	7242	7191	7053	9384	8040	2419	5377	6716	22760	8378	4270	14060	2911	5297	4551	4607	13895	7435	23315	26872	8989	5113	6985	0	12661	2035	4849	2498	3486	4887	2240	5168	3886	20014	3133	4799	2396	3165	13869	14669	3265	0	0	0	20243	29329	0	4429	4771	8322	7710	7028	0	8751	5999	4335	3469	3062	2721	6353	11730	8995	6383	3592	8002	5030	3149	12987	20906	20530	5873	3229	3697	3434	2289	0	4068	3449	5001	5056	14797	3300	8704	11134	2511	3725	3310	2904	2209	4535	5178	6774	3998	9699	0	9471	7867	6556	4765	3576	3944	2324	4407	16273	3468	7671	0	2873	13708	Phytochemical	0.55	1.15	0.05
18	C20 H23 O11 N1	454.1344	454.13495	-0.031099077	454.13437	117705	106543	112861	103137	111824	99651	54436	92047	124490	211935	104132	50438	216487	70397	87770	78512	50614	190109	205659	223431	227937	187036	96488	88993	54463	99255	45256	73150	87539	75684	78640	78842	79949	68435	251250	71731	87430	65613	45346	188960	134139	72774	6014	1080	688	265570	284374	904	71254	80206	103086	100641	88331	1227	185958	119022	56319	62210	77872	45215	81585	155966	193011	126545	62903	124498	90420	45539	133313	108412	134042	0	66919	80671	54930	65963	734	66284	79392	109594	68620	193675	51788	94992	147881	94460	70923	64541	70973	46117	53795	99276	106937	139595	189964	1324	123616	136903	111111	77579	92941	89243	51140	101858	205308	80349	112789	933	52823	184236	Phytochemical	0.55	1.15	0.05
8	C20 H23 O11 N1	454.1344	454.1351	-0.011460255	454.13437	50378	56460	36990	50341	30918	22756	19849	39711	49176	97689	74153	35842	64739	14775	25323	50546	46466	51776	52939	85958	113197	83616	37973	52375	12345	20732	21077	27273	30300	34224	29443	40002	37087	30974	120455	35418	37203	25364	50682	66406	201986	32402	680	0	0	60294	119868	0	39340	38315	50543	51002	27889	0	60612	41762	24419	35375	29120	53280	51182	57157	74853	54147	25657	44414	29255	48410	47368	30261	57731	37787	35756	32568	32682	33582	0	27000	39174	40004	30124	44797	20892	30813	48271	23925	28586	25878	30333	45512	16139	34521	55314	70028	74567	0	54593	57069	42522	41961	39594	41927	24556	47897	44185	37109	35009	0	22417	68307	Phytochemical	0.55	1.15	0.05
6	C20 H23 O11 N1	454.1344	454.13516	-0.010661863	454.13437	14367	18307	13589	16923	12896	8277	5187	13173	17560	30056	18815	9269	26400	5360	8767	14529	17025	17914	23396	19308	37976	23986	12949	17224	3149	6109	6832	11510	8949	11477	7982	12422	14197	10201	34838	10001	11762	9707	17291	17257	28635	9978	0	0	0	14559	33391	0	10728	11575	15801	17165	12198	0	23350	16166	7831	12435	9506	15698	12474	12449	30663	23051	11285	17768	8867	17167	10428	7105	14607	10919	10434	8772	7120	9267	0	6595	13480	7822	9286	10807	6352	5677	20674	10332	10988	10879	10494	18665	5135	7375	19568	22304	21424	0	13630	16468	12957	17501	18915	14232	7776	15600	15593	11737	13862	0	5277	28601	Phytochemical	0.55	1.15	0.05
10	C19 H23 O10 N3	454.14563	454.1463	-0.030607205	454.1456	31523	29943	26940	21870	15440	11441	16433	34157	21917	18708	17100	26618	23819	6062	25750	32928	28191	28622	32888	27906	27328	48110	31888	38445	16863	0	18178	0	27794	23688	29319	23866	40579	26764	25524	25187	41851	21926	33588	29283	34208	17381	0	0	0	28203	37296	0	31009	30181	27108	33920	14198	0	28140	11036	13142	38212	36505	24612	40788	26663	29548	23000	15858	22763	21989	36139	0	4898	7449	30558	28635	27036	23334	24124	0	23922	23385	12856	17383	18218	18133	9409	15293	12499	23553	21899	24416	43014	17816	30115	65126	22021	18836	0	29114	36609	10852	11202	14107	38356	24514	32346	25149	36890	14413	0	17926	31260	Peptide	0.5263158	1.2105263	0.15789473
6	C19 H23 O10 N3	454.14563	454.1464	-0.034645975	454.1456	18804	22044	20039	19683	10774	8688	9196	24835	15517	15451	13766	14884	22499	4230	13670	26454	20396	19253	22372	17178	21440	30841	16347	23620	5014	0	9861	4946	16249	12633	20833	20656	23556	13871	21632	16990	24454	11077	30162	14758	28104	14294	0	0	0	15783	32555	0	20389	19116	19782	18015	11893	0	21036	9895	8345	25063	15942	19873	21383	11067	27873	18143	11464	20985	15848	31427	2917	3291	5748	19380	14509	10392	11707	12736	0	11501	11828	5141	12641	10687	6839	4171	17758	7606	16356	17404	16707	34043	11036	18078	36474	14929	11438	0	17744	19224	7400	12722	12452	23702	13022	19058	17023	20881	11979	0	9041	31295	Peptide	0.5263158	1.2105263	0.15789473
14	C19 H23 O10 N3	454.14563	454.14624	-0.078383476	454.1456	5591	12005	12777	10497	4766	3979	10334	13692	7239	0	7853	8031	10595	4606	11099	10685	18503	10495	13788	0	6838	20257	16086	14592	8697	0	9330	0	11928	10251	10780	9697	17424	9453	10718	11589	13364	12198	15616	12151	9677	7737	0	0	0	7217	10066	0	12685	10456	0	9931	5312	0	11793	4801	7029	18325	15983	0	0	9677	9939	6677	5667	9770	6631	10358	0	0	0	13206	8716	7606	14412	7737	0	14958	11579	0	10605	4717	6887	0	6163	0	10594	11287	7588	18303	7408	11576	29265	7075	4139	0	8653	8632	2926	4430	5480	13330	9805	11124	0	15058	0	0	7814	10144	Peptide	0.5263158	1.2105263	0.15789473
12	C19 H23 O10 N3	454.14563	454.14633	-0.009912441	454.14563	26585	17125	26266	19967	10779	11065	15078	26293	12231	13311	8467	18361	16992	7522	25271	17523	20656	21421	19339	16657	14627	35601	28908	27588	15321	1967	8611	0	26729	17855	22893	18106	27954	15350	20127	19107	26421	19877	21528	22049	16416	14102	504	0	0	23368	31686	0	22970	18937	20697	18462	12442	0	21554	8165	9511	18082	33409	21070	0	14536	21375	19423	9162	20971	14496	21501	0	6507	5710	23484	19754	17254	13016	14995	0	20565	20716	0	12830	11558	11312	6659	13003	8821	18599	12740	15581	45318	15580	26616	51247	13260	10344	0	17915	16030	8029	7703	7203	23818	16248	22346	22508	27910	9201	0	15373	22955	Peptide	0.5263158	1.2105263	0.15789473
8	C19 H23 O10 N3	454.14563	454.1463	-0.07546472	454.1456	33908	27963	23038	33975	14927	14407	15316	27501	23100	23020	16691	26856	27423	5741	22088	27314	29234	24970	30563	22592	28898	50801	28221	38082	10720	1084	15478	6837	22003	25658	27904	30210	30858	22560	31136	27140	31107	23350	33475	26682	39982	16145	0	0	0	31843	41041	0	28694	27918	30919	31867	18520	0	31087	16174	15549	27016	28681	27242	32315	26751	38621	26386	12422	24679	19117	37157	4800	6678	9892	24199	22853	20147	22428	24715	0	19881	27125	11428	16431	15987	13196	9105	16595	13254	22722	23935	24639	51721	17034	36325	60879	26588	20008	0	31628	32246	15511	16700	12952	31803	24459	36000	23878	37529	12562	0	17067	38567	Peptide	0.5263158	1.2105263	0.15789473
14	C24 H23 O8 N1	454.14966	454.15027	-0.054681685	454.14963	10121	9641	6639	6247	8440	5433	2631	3913	7325	42320	25768	2114	7950	5900	3102	3256	4134	7035	11878	31390	43864	16301	5630	6802	3056	55079	1285	25611	4713	4352	3245	0	4603	2749	53045	3788	3968	3833	5109	24056	32477	3470	0	0	0	16827	18641	0	3453	1748	12517	10324	4591	0	10191	5034	4691	7065	0	0	0	14608	11070	5511	3828	7993	5182	5457	55960	68865	68535	3559	3746	3968	3263	2149	0	2347	4682	15784	2884	9496	5345	17691	6431	3984	6781	4819	3997	11195	7432	7341	10011	21070	26160	0	9387	10835	11023	7473	6403	7025	3194	5973	0	3744	5144	0	4652	7917	Phytochemical	0.33333334	0.9583333	0.041666668
12	C24 H23 O8 N1	454.14966	454.15027	-0.07462844	454.1496	6180	9351	7058	6130	4651	3233	2403	1995	5123	25649	17564	1388	4425	2279	1124	2784	0	4446	7487	28827	32722	12540	1872	4731	2150	43224	0	18170	2433	2528	0	0	3222	0	40523	2096	1653	1349	2714	16964	18493	1992	0	0	0	10992	12010	0	1253	0	4047	5993	3857	0	4331	4881	1661	3206	0	8382	0	10794	6493	5383	2855	4826	3715	5363	33533	55692	53374	1488	1947	1256	1951	2017	0	2579	4916	0	2604	7415	2190	9374	4919	1937	6344	2379	2710	6881	6587	5244	6112	17695	18348	0	8162	8416	4866	3336	4580	0	1945	0	0	1625	2547	0	2938	8512	Phytochemical	0.33333334	0.9583333	0.041666668
26	C24 H23 O8 N1	454.14966	454.15018	-0.11599793	454.1496	2564	0	2824	2746	2518	0	0	0	0	15189	9504	0	0	0	0	0	0	0	0	0	7869	6944	0	0	0	5833	0	7549	0	0	0	0	0	0	9166	0	0	0	0	7118	11584	0	0	0	0	5326	11309	0	0	0	3282	3643	0	0	0	0	0	1774	0	0	0	4518	3488	2777	0	2866	2178	0	9268	10293	20160	0	0	0	0	0	0	0	0	6541	0	4424	0	4205	0	0	1559	0	0	2818	2241	0	0	11353	10375	0	2782	5191	0	0	0	0	0	0	0	0	0	0	0	3881	Phytochemical	0.33333334	0.9583333	0.041666668
18	C24 H23 O8 N1	454.14966	454.1502	-0.07089695	454.1496	23718	23358	19769	20335	19998	11019	6764	6619	14813	83131	68393	3621	15594	11301	8003	9249	7699	18068	25430	75446	66734	41257	4678	8901	6916	87792	9121	48576	7711	6290	6576	6007	9939	5776	89321	4419	10014	7648	9214	53128	56762	12418	389	0	0	37256	35677	0	5440	6946	22664	25849	13676	0	9677	11367	8505	8815	8605	11398	13012	34948	23746	13026	8689	14720	14708	6676	87422	120864	145312	6790	2995	4638	7464	0	0	4404	15464	35277	8383	27276	7558	40906	15757	10685	16094	11603	7883	18509	18375	24646	13056	39298	52469	0	22602	19688	13160	14166	12309	11439	4264	12186	24578	10860	12771	0	10313	18946	Phytochemical	0.33333334	0.9583333	0.041666668
10	C24 H23 O8 N1	454.14966	454.15033	0.04532792	454.14966	2157	5203	4105	3462	3145	1804	0	2826	3864	22317	15942	0	4127	5144	0	2376	0	3901	3825	20025	19020	11947	1889	3469	0	26809	1759	11692	2743	2299	3246	1107	2309	2646	24861	974	1536	1404	2367	9509	11539	1667	0	0	0	7303	12764	0	0	1194	5904	5156	2066	0	2841	2044	1521	3783	0	0	0	7037	3856	4086	990	2702	1393	2579	20993	33714	41813	1588	0	1035	1359	1176	0	1355	3503	8223	1885	5035	1810	8923	4345	1491	2770	1572	0	5859	0	3505	0	13740	16594	0	3443	4334	3911	3081	4281	1736	0	0	0	2683	3295	0	1640	4462	Phytochemical	0.33333334	0.9583333	0.041666668
22	C24 H23 O8 N1	454.14966	454.15018	-0.052190643	454.14963	15752	20862	13807	13340	10952	11466	4935	4182	14715	59223	52285	2219	9316	10926	2615	8101	4142	13309	11980	40450	45876	23952	7762	7114	4629	57037	3331	38870	3790	2068	3000	0	4605	4338	59297	3280	8158	2991	5885	41785	37471	4017	0	0	0	35814	46970	0	3468	1430	12986	15864	10390	0	10111	12152	5615	8113	5142	6432	7462	29616	15690	9844	5934	10745	11781	4866	61997	69338	86259	4079	3412	1926	1321	2278	0	3578	8796	26713	7364	22532	5041	25706	13164	8085	7762	8590	7894	7894	8330	11911	11011	35984	36982	0	13451	16376	11362	12940	9631	10754	2860	7950	23905	6961	8960	0	5020	13054	Phytochemical	0.33333334	0.9583333	0.041666668
16	C24 H23 O8 N1	454.14966	454.15024	-0.04958311	454.14963	12765	15778	17060	19350	10046	7862	4638	5112	15651	69986	42047	3952	9131	10526	5559	4674	5646	13561	15447	52675	55064	31179	5855	7440	7960	77309	3482	38013	3245	3859	3056	0	8916	1727	74317	3573	6248	3463	7476	44725	47967	4195	316	0	0	23089	30549	0	5606	4318	19853	14125	9876	0	13129	8587	6843	6685	5261	10485	0	26071	12579	11416	3244	10333	9101	4495	57514	99710	102231	4733	3277	2297	5996	1934	0	3685	9577	28947	6822	20643	5986	32045	12698	6348	14160	9275	7985	0	15555	15070	0	28588	36454	0	16042	15079	8973	9983	9449	9470	3783	5677	14280	0	7599	0	6741	18193	Phytochemical	0.33333334	0.9583333	0.041666668
24	C24 H23 O8 N1	454.14966	454.15012	-0.087195784	454.1496	6045	4767	8946	6507	4646	2945	0	1609	7527	29147	20395	2470	5834	4805	2057	1882	0	4257	4663	15506	15519	15124	1964	4694	2251	26067	1093	17643	0	2153	0	1284	1786	0	27100	2254	2214	1705	1944	18804	26007	3996	0	0	0	15653	20679	0	1667	0	6374	5561	3899	0	8088	5539	1465	3088	3271	1770	2283	16381	8022	5073	2509	7034	6582	2566	26122	30614	41462	2706	1154	0	0	1344	0	1661	3070	15661	2852	17762	3900	14511	5011	4161	4516	4170	3450	6210	2641	3215	4210	19830	23084	0	9402	5404	3072	4780	2982	1962	1325	5899	7920	3366	3997	0	2148	8594	Phytochemical	0.33333334	0.9583333	0.041666668
18	C20 H27 O7 N3 S1	454.16425	454.16507	0.08108391	454.16428	1100577	994452	1056579	988926	830049	0	522480	1318026	891842	2257059	998961	576846	1440855	541797	946230	995418	582996	1389960	1445133	2804595	2318088	1144863	1016778	1260333	773242	1848807	497760	773691	1190625	1076070	0	971640	977625	1002633	2345907	1159335	1110057	656514	562686	1679472	1022205	660372	44784	5340	3042	1904373	1498608	4221	949932	1152546	1027536	1007040	732561	8004	1398555	772131	476229	840165	966663	519168	1001523	1228860	1106529	851546	403485	867528	731310	534123	1592298	2077263	1597719	1144155	893363	1174314	682143	1024089	3459	714402	676979	623466	707529	1129287	668337	997197	996339	651921	600381	564159	685038	442311	791283	1092018	1227657	693765	1259820	12015	1034910	1180350	764634	529623	695751	1088466	620211	1267137	1052316	758318	772047	5961	591459	1182363	Peptide	0.35	1.35	0.15
28	C21 H27 O10 N1	454.17078	454.1713	-0.06830503	454.17075	9908	8044	8417	6421	8786	5463	3702	7823	6769	23336	5497	3770	13840	2832	5747	6361	4358	10140	9255	27697	27500	6476	7092	8571	4764	19739	3563	6885	5423	6270	7228	4620	5525	8020	20822	6115	6896	4632	5309	11482	10698	3063	0	0	0	12296	16356	0	8013	7577	8032	8533	5770	0	9505	5811	2359	5862	3268	3808	6672	9398	8159	6184	2439	8126	4999	4164	20623	35319	25069	7770	6696	6494	5477	4429	0	4732	5238	4198	4583	7500	3779	10229	6946	4564	4868	3375	4165	3389	5284	6376	6626	3491	7433	0	8101	10181	4167	4136	5119	6770	4102	6731	7837	5168	5247	0	2953	10854	Phytochemical	0.47619048	1.2857143	0.04761905
26	C21 H27 O10 N1	454.17078	454.1713	-0.04970616	454.17075	11588	9270	9379	9575	11340	13594	3360	8985	13374	32110	8547	6644	20872	5510	6985	7392	6956	18781	15830	30043	35912	11043	11662	12785	5932	22774	2360	6827	8673	5601	8614	6503	5974	10086	25947	10773	8007	7945	4527	16377	15182	6348	0	0	0	20649	24903	0	6795	6935	13030	10333	9010	0	12320	7389	4196	7512	3652	5004	8688	12353	15568	10584	4938	11547	5591	5398	18290	35846	30628	10700	11501	0	11209	5451	0	7282	8423	0	9775	12776	5286	9835	10209	6591	5993	6033	8821	4754	7140	8138	5843	6125	11449	0	10377	16369	10453	5926	6974	8909	3570	9782	10837	8051	0	0	3429	23871	Phytochemical	0.47619048	1.2857143	0.04761905
24	C21 H27 O10 N1	454.17078	454.1713	-0.06525155	454.17075	21224	0	24621	27223	26163	0	7193	23180	30661	52740	16223	13580	41019	9634	17670	25755	13315	37832	39565	56592	67019	19889	22082	31470	15971	43919	5710	13437	18722	16582	17044	15878	12695	19005	48797	20640	19302	12579	12887	37027	29862	11360	2056	0	0	43287	57021	0	18711	19562	27798	26501	23371	0	36697	26008	11204	16407	14577	13726	21162	28996	29478	26015	7013	0	17066	10844	38057	55782	55978	27219	18586	23503	17215	17749	0	18431	20854	11772	19018	30678	11898	22993	36495	15560	14187	13211	15084	9806	13611	9704	22478	16718	28974	0	21834	28850	24634	17105	26801	17259	11641	21288	28377	13981	27305	0	8297	0	Phytochemical	0.47619048	1.2857143	0.04761905
10	C21 H27 O10 N1	454.17078	454.17145	-0.03856771	454.17075	268070	258620	239346	235022	63526	58324	164040	316858	70681	451806	109011	176954	115460	42816	193024	268670	184238	95904	247714	483660	250276	396668	111498	303734	143300	128596	160496	82645	244648	261710	219496	279466	249600	223192	540972	258236	260148	169320	185136	367462	330824	67808	2947	0	366	175560	183653	0	255588	271016	255924	253418	116476	539	109745	64785	44752	239694	131663	100475	171249	119148	95267	81064	43252	84093	66890	228910	163316	148616	151077	272202	232266	274828	94806	214934	0	170226	184500	88797	174480	209490	181622	89578	82945	111770	162960	55178	64320	195280	82135	235038	326886	109024	306580	696	243706	281356	62765	59848	60553	125848	163370	180030	129354	198022	66318	0	148272	110441	Phytochemical	0.47619048	1.2857143	0.04761905
22	C21 H27 O10 N1	454.17078	454.1713	-0.07853426	454.17075	210984	185876	170469	198132	203445	179682	71152	202002	221806	445095	141464	31665	290722	97009	176228	165000	80867	337670	224631	391410	414677	209560	189775	197806	155938	286457	73379	114710	77600	156723	61953	171309	61575	51150	170832	62602	215090	130695	93345	257364	184535	99809	5222	0	1618	324810	324900	0	59985	185555	202200	195005	160461	2560	281192	184813	112202	158770	160655	76493	193810	214184	256788	204326	82458	193985	131313	82501	255757	413982	344565	223829	183405	190024	99561	148010	2174	44784	163887	95535	150613	207291	103365	155686	224317	132776	133595	99649	113183	86627	150952	141829	198174	136758	218558	0	180453	58869	163420	144977	152673	184878	118970	193038	233283	169097	164578	0	110773	302263	Phytochemical	0.47619048	1.2857143	0.04761905
8	C20 H27 O9 N3	454.182	454.18268	-0.11670668	454.18195	42094	46358	35518	43518	16892	15465	24470	50466	21237	36929	20355	27964	25383	5783	37241	48050	32632	27306	35639	42832	39222	65245	39137	50716	30867	2968	25650	19402	43289	37545	40829	44914	50824	40272	46190	42583	51448	31521	36535	45916	34598	19747	0	0	0	41110	40936	0	51884	43923	45105	46101	19558	0	34191	11113	16110	45090	49351	30791	53458	25716	28282	24113	14645	24067	24020	44706	5202	13582	9901	42839	38074	44333	25532	37983	0	32889	33868	30991	27127	22162	28980	21925	11941	18018	35963	25541	24882	55889	76797	108292	86116	28839	32291	0	44378	41583	14401	10939	9692	48412	29058	60642	27118	48305	10991	0	31955	29835	Peptide	0.45	1.35	0.15
12	C20 H27 O9 N3	454.182	454.1826	-0.14843485	454.18195	28068	27141	31398	33887	13475	16476	31687	50753	15299	23226	10617	22356	19738	4775	44588	32363	22884	23496	29580	38576	23625	52213	40960	38656	35027	0	17041	15128	45270	28682	44449	31468	52263	35249	34390	45663	46137	34554	32330	33254	21037	19214	0	0	0	41125	20777	0	39392	37324	31086	26339	18476	0	0	8968	14596	53246	63286	25617	39282	22914	14883	18512	9883	19550	23045	31434	0	6583	5577	44847	38694	36061	22480	26263	0	34008	30085	0	26068	20579	28284	14519	8027	12793	36815	17566	23018	53422	46313	71048	82449	23735	17528	0	32107	26260	8656	5772	7931	35879	27807	42908	27581	47333	10039	0	25009	26218	Peptide	0.45	1.35	0.15
6	C20 H27 O9 N3	454.182	454.18274	-0.11576822	454.18195	32876	33818	31956	30760	11545	14662	15956	36813	17108	35641	16374	18832	20103	5843	25707	37020	23681	20990	27547	30397	26817	50746	26665	40531	18229	1753	17804	20963	33735	29154	27108	32331	40906	29997	40455	29796	38214	22173	35847	26962	29119	15772	0	0	0	27805	33373	0	35391	26746	33202	31982	14983	0	26763	10215	11197	34270	30239	25739	39497	22253	24298	17378	10000	21496	19543	39186	3676	9994	7851	30573	25707	25142	15162	25529	0	18563	19416	14295	18110	16377	18571	9384	13355	14504	20898	17984	20331	42854	165971	126813	66615	21948	30106	0	31846	30742	8451	9549	10960	34920	18759	37519	17391	33004	8190	0	19187	23354	Peptide	0.45	1.35	0.15
10	C20 H27 O9 N3	454.182	454.18265	-0.1346438	454.18195	47449	41572	40294	37844	17790	18363	35266	53963	17823	38128	20139	32092	19550	6411	45506	54663	33245	32346	39172	38450	37903	65294	41236	61274	39624	3743	31359	20808	48145	44714	48042	59796	59524	44413	50526	43526	72122	38092	39577	47173	29739	23240	0	0	0	44632	31377	0	58545	42925	49158	40309	18614	0	34427	10282	15216	51845	58218	33007	51456	27640	21657	24479	13429	21435	30173	35788	0	12128	7449	50613	46677	42866	26614	36629	0	36132	36412	16156	31465	23277	32859	17079	15516	14933	39607	25832	29791	52365	64698	79836	101317	30795	34729	0	43357	37021	10424	11865	12075	53518	33807	65405	16640	57072	13867	0	33166	25885	Peptide	0.45	1.35	0.15
4	C20 H27 O9 N3	454.182	454.1828	-0.07034002	454.18198	11747	12660	11847	10685	5351	6206	4719	12684	6840	10865	7792	8267	10049	3257	9701	12360	13158	9249	9371	8512	7261	17505	11929	14205	5793	915	5280	8463	8918	8724	9254	11235	12100	7915	12869	9343	14275	9086	17721	8436	10315	6331	0	0	0	10916	11700	0	13028	9482	11626	11373	5743	0	10879	5248	4320	13343	11065	10190	12801	5082	12543	8042	3811	8784	7500	14373	1357	2405	2940	9699	6944	9358	3978	7671	0	6243	9410	7986	7015	4772	6475	4030	6307	5983	9990	6406	8362	18268	109313	60142	25706	9350	9848	0	10266	12374	3864	4890	5591	11973	7566	13166	5901	12186	6312	0	6796	11527	Peptide	0.45	1.35	0.15
16	C20 H27 O9 N3	454.182	454.18256	0.03429341	454.182	222248	263999	227312	236641	158802	141456	147385	273374	193522	544431	243946	140225	205796	87830	214268	218725	128257	252226	269918	492728	385041	271712	211961	271243	188404	224666	143341	221190	235305	211131	246353	263650	240688	207390	584542	236381	221813	180457	141457	332908	193174	117118	3426	0	0	295924	215760	0	241516	233329	260968	244488	147940	850	228734	135726	102561	245798	242753	138484	244704	186223	214050	195602	88366	203196	143772	154160	188248	368360	275178	256886	223937	264244	148984	229914	0	185384	207658	131301	171278	176181	183478	177574	149636	101742	170885	114149	149661	130598	209665	249097	274340	159104	234459	1046	246912	238374	150360	105864	105330	232663	131450	243782	156244	197266	127837	0	173196	231388	Peptide	0.45	1.35	0.15
14	C20 H27 O9 N3	454.182	454.18256	-0.15119982	454.18195	21252	16960	19113	16291	0	12320	16994	27495	8649	11723	9069	16794	8604	5428	28263	20584	11930	15131	11738	15545	13754	34596	21289	30843	27432	0	14127	30992	27386	25758	22724	21605	35373	18485	17102	23862	28998	21691	14315	15197	0	14573	0	0	0	16257	0	0	24926	22907	17261	18108	9153	0	14691	3411	6618	28563	30054	0	0	11826	0	10796	6685	11867	10756	19092	0	7493	0	20790	17628	21563	13250	17417	0	16556	11654	0	9285	9487	14094	7297	6702	8140	16816	10434	13827	22459	33342	34164	56136	9298	16468	0	19629	24884	5722	0	0	25540	13174	21865	0	29090	5351	0	17131	11523	Peptide	0.45	1.35	0.15
26	C25 H27 O7 N1	454.18604	454.18637	-0.10217084	454.18597	2843	3767	2107	4071	3184	0	0	0	3847	9678	9985	0	0	1951	0	0	0	0	4071	8346	10543	6648	0	0	0	14532	0	8453	0	0	3329	0	2304	0	8068	0	3081	0	0	6976	13499	0	0	0	0	6429	7206	0	0	0	4545	3809	3114	0	0	0	0	2333	0	0	0	4895	1968	3077	0	3970	0	2793	18154	16137	27427	0	0	0	0	2693	0	0	3903	6275	0	5836	0	7056	0	0	2637	0	2830	4459	3181	3801	0	5287	6476	0	4163	0	3271	3947	0	0	0	0	0	2878	0	0	3126	4025	Phytochemical	0.28	1.08	0.04
16	C25 H27 O7 N1	454.18604	454.18658	-0.1582045	454.18594	17598	14768	13692	13930	5707	5140	5607	7025	7381	34852	31032	3181	3522	6618	3957	11097	7224	4898	10590	38757	52462	13732	8269	13990	4638	68945	4592	27649	3960	5365	6297	8643	9621	7183	38416	8788	6883	6701	6247	24704	34612	4604	0	0	0	12311	12965	0	8064	5686	13275	15751	7567	0	7928	4381	5471	10295	4222	11219	0	19394	9606	5820	5558	7099	5307	7730	47404	70057	87663	6290	4967	5823	7170	5997	0	5635	10400	13543	5542	6086	7373	21583	6010	5238	14872	8587	6057	0	11752	14684	0	15605	23812	0	13135	12064	6327	4304	3063	5534	3380	11021	9172	0	6732	0	6882	7290	Phytochemical	0.28	1.08	0.04
24	C25 H27 O7 N1	454.18604	454.18652	-0.08402011	454.186	14641	11582	10412	11201	8835	6377	2565	5573	5232	32958	35369	2554	6741	5720	4665	9193	5095	11496	11027	29366	32223	11704	6119	8256	6001	48445	1807	35316	4372	3783	5171	4940	5800	6212	30907	4313	6089	4751	3342	30957	31085	5460	0	0	0	16310	23202	0	5963	2616	7954	13839	7860	0	5267	7432	4072	7310	4917	6406	4795	17411	10881	5789	3152	10541	11061	4164	49186	56396	63151	5904	3932	2862	3258	3435	0	4876	7670	15749	6023	14839	6590	27780	7184	0	6475	8595	5934	7958	9996	11293	10697	22555	18652	0	9137	10139	6885	6632	5369	6533	3253	7652	15975	5796	7417	0	3016	6611	Phytochemical	0.28	1.08	0.04
10	C25 H27 O7 N1	454.18604	454.18677	-0.003558183	454.18604	3125	3486	2548	2048	1749	2192	1478	2011	1176	18492	11929	1409	0	1820	0	0	2268	2464	0	18043	17757	7148	0	2344	1723	25472	2304	10915	2653	1940	2063	3287	0	1968	13985	0	1913	1306	1344	10815	10129	1412	0	0	0	5944	4901	0	1384	0	5438	2909	1890	0	1236	1797	1825	3427	0	0	0	3951	1746	1842	0	1617	2600	4079	15671	25564	37662	2688	1764	0	3420	2231	0	1383	2691	5701	0	1594	0	10616	2286	1914	1637	0	1179	4352	0	0	3563	6121	11335	0	5904	4442	0	1341	1629	2681	1121	3848	0	2660	865	0	1114	0	Phytochemical	0.28	1.08	0.04
28	C22 H31 O9 N1	454.20715	454.20767	-0.1413531	454.2071	10842	9315	10208	9149	6990	8156	4525	9178	9626	22703	7283	4526	21168	6055	6137	11306	5870	13181	13194	26869	22879	8125	8597	14176	3006	20092	4476	7497	9066	7107	8106	7048	8637	10470	20941	8023	8200	4390	6713	11388	10647	6068	0	0	0	10852	11988	0	9746	8371	9112	9125	5983	0	10629	7330	3746	10292	4376	3684	9249	7877	12271	6846	2743	10254	6103	3918	19274	38881	34964	8359	6148	9801	6987	4637	0	6080	10012	3725	6580	4114	4747	8911	10820	3861	9280	5679	3336	7054	10438	10592	9854	1904	7644	0	9368	10919	5040	5464	5763	8482	4434	9306	5959	7292	4074	0	4738	11797	Lipid	0.4090909	1.4090909	0.045454547
24	C22 H31 O9 N1	454.20715	454.20764	-0.1318884	454.2071	57985	60284	57667	56442	63520	0	18925	58636	52484	108254	40503	30862	92775	34617	46524	0	32061	74039	0	105421	109704	46264	0	0	33716	99332	20038	32825	43341	42401	37579	0	0	48244	107793	46486	51351	32835	30831	68489	50452	26027	0	0	0	70135	64961	0	48296	42207	0	52365	40448	0	79510	55224	26254	0	29950	20256	0	45586	79170	56217	23375	0	35632	28878	82757	137261	138306	49703	47226	47563	35539	0	0	37673	52128	22225	43693	40129	27736	48383	79307	29013	42153	26396	31393	27542	34940	42710	58613	25312	45906	0	48355	56708	37347	43253	47316	45531	27773	51122	41820	40404	40878	0	33827	0	Lipid	0.4090909	1.4090909	0.045454547
14	C22 H31 O9 N1	454.20715	454.20773	-0.08909457	454.20712	222726	227518	220555	227100	132418	131219	178657	376152	155976	272964	162739	173845	198548	97720	256077	318276	244800	226489	240549	429871	423561	241458	264625	375088	235173	376955	152909	178727	298858	314139	227017	295786	259682	218105	308470	327100	242261	188723	199986	250054	232366	160219	7361	632	574	322289	284730	475	255463	309583	208047	206804	129535	1208	223417	142620	96598	267543	304807	224391	407388	188971	168135	166591	99388	155724	137772	200984	361262	412045	304829	242228	238768	364490	232256	233975	0	203398	0	155889	193907	179335	188202	155808	184388	130086	181006	141629	146035	220500	226496	215790	356705	135371	206915	2091	216812	268013	129673	126158	159993	292945	172560	372945	228492	207553	144729	657	175288	176547	Lipid	0.4090909	1.4090909	0.045454547
4	C22 H31 O9 N1	454.20715	454.20798	-0.11074974	454.20712	6286	7374	5760	5580	3385	4297	5061	8913	4025	8619	3217	5133	5858	1196	6078	6952	5933	3956	5766	9059	9410	9254	6146	9007	5128	2587	4250	0	7792	5843	7769	7968	8607	6355	12444	8436	7665	5914	8557	7551	7810	3446	0	0	0	8172	6682	0	7510	8282	6239	6207	3711	0	6636	4114	2132	8212	5440	3806	6407	4234	4823	4589	1388	3779	5333	7322	4420	5651	5654	6235	6821	10284	3538	6962	0	5657	5340	5839	4825	3682	4969	3855	4831	3363	4457	2711	3969	8662	7605	9120	25190	5755	6680	0	6450	8328	2273	3540	4404	8279	4760	11489	4618	6797	2598	0	3480	6036	Lipid	0.4090909	1.4090909	0.045454547
8	C22 H31 O9 N1	454.20715	454.20782	-0.1364624	454.2071	41915	42820	33213	39599	20110	18993	18787	42510	22013	65150	25801	21971	32207	9906	32186	40773	22991	22534	32519	67141	53599	53273	26307	46201	25768	20491	18147	22918	39846	35261	33778	43737	43467	30445	76404	36073	44528	22256	31341	52234	33347	18032	0	0	0	48399	33535	0	44789	35248	36023	35313	15950	0	32896	15763	11978	42993	28327	19678	39644	23237	28888	19537	9823	23821	19974	31119	24837	38477	29766	36510	33357	39729	23003	36985	0	23886	25867	15655	23049	16947	24843	23035	18281	12676	26070	16307	19715	33192	40643	65593	54571	28922	44275	0	38629	35275	15805	18910	19080	36251	23211	61546	14519	32370	15018	0	23480	29889	Lipid	0.4090909	1.4090909	0.045454547
6	C22 H31 O9 N1	454.20715	454.2079	-0.13168132	454.2071	22791	21713	17757	20784	10734	14688	12153	26340	12365	30096	12002	14025	19176	6563	18684	24295	11334	14009	18278	32355	39037	30309	17219	26722	12842	9986	12503	13613	30551	19276	23242	23981	26554	20294	42386	22182	25978	14552	16970	21471	17054	10086	0	0	0	22277	18916	0	27309	22197	22298	21875	9906	0	19539	8090	6571	29153	14765	11024	23854	15950	16413	13945	5814	14759	12757	17016	10508	21918	17552	21405	20162	22698	7908	19749	0	16515	15286	8164	12418	9925	10576	12697	9581	7044	15040	8639	12155	22075	26022	53628	30854	13612	20233	0	20352	22428	6664	10535	9698	22038	12817	29725	12134	21297	7841	0	11103	19537	Lipid	0.4090909	1.4090909	0.045454547
12	C21 H31 O8 N3	454.21838	454.21896	-0.06952495	454.21835	7331	5946	8799	9715	3854	3610	5196	11932	3358	5580	2223	4958	4574	1804	11237	7434	8066	3544	4783	8903	4538	13032	8369	10129	13725	0	4801	0	12316	4825	8467	11776	12583	10089	5377	10853	12988	7903	5911	10072	4531	2922	0	0	0	10475	0	0	11759	8298	7037	7875	3439	0	5626	2129	2694	11657	7789	0	0	4681	1166	2690	2620	3765	6113	8732	0	3594	0	11450	8746	7907	5327	9144	0	8164	6012	0	7650	3629	6920	3470	0	3116	6528	4268	5121	12912	18842	21155	21712	0	7076	0	8266	5494	0	1682	1906	8984	5679	11375	0	11611	1606	0	7179	3944	Peptide	0.3809524	1.4761904	0.14285715
6	C21 H31 O8 N3	454.21838	454.21912	-0.07391338	454.21835	12526	13613	9488	12078	5357	5427	7834	16660	5946	11377	3932	7067	6946	2986	12289	15853	7901	8110	12637	9420	9998	14962	12461	19275	13158	1129	7185	4359	17241	12276	13941	16284	19544	12515	12071	13305	20756	11117	10369	9514	6300	4855	0	0	0	11124	5840	0	19476	12051	12692	11625	5480	0	7839	3377	4614	16786	8087	2982	13579	4906	7296	6931	1726	5674	8800	11624	0	3556	2501	13895	11342	14291	4671	10034	0	9443	8081	4819	6878	3666	7201	4144	3031	4209	10257	6909	8806	15847	29194	31369	32496	5286	8776	0	11645	12981	2885	2882	3300	17227	7422	16175	0	15864	2927	0	8953	9296	Peptide	0.3809524	1.4761904	0.14285715
8	C21 H31 O8 N3	454.21838	454.2191	-0.09641993	454.21835	30980	30214	23637	28218	8708	14502	21162	35802	14528	17534	10450	16576	11726	8138	32146	30455	17192	17128	22899	41235	22840	42424	28518	45719	39154	9874	15528	14365	38206	31803	35874	32988	44990	34208	32097	33327	43740	25737	18743	24779	12981	18055	0	0	0	27924	18279	0	45652	24624	30181	31584	16268	0	23622	4852	8207	38116	17968	6390	28258	16430	12950	13738	9774	25540	17496	25340	4520	20243	6964	34134	26589	26375	16746	27864	0	20780	28034	9874	15980	8396	17862	17325	5124	9498	23689	19418	20474	43473	95314	64994	77715	8800	19818	0	30611	31914	6408	7097	4048	41735	19511	34742	0	35620	5636	0	21773	14890	Peptide	0.3809524	1.4761904	0.14285715
10	C21 H31 O8 N3	454.21838	454.21902	-0.10078637	454.21835	14803	10586	8986	11867	3595	3358	9983	16504	3740	8492	2941	7975	4585	3446	13265	9970	5748	4144	7802	11600	9496	17465	11810	18717	15549	2888	8575	4575	11657	11923	12337	19703	19990	12422	12451	15815	17873	9526	10375	16445	4438	4642	0	0	0	12092	5895	0	14804	11597	9612	12862	6271	0	6601	1583	3263	16530	6901	3879	16347	5374	5860	4046	3608	6458	5136	12051	0	4789	2123	14803	12088	16737	7070	12250	0	8263	9634	0	6478	6288	6953	5229	3440	4400	7947	6207	7281	13967	21319	30926	25854	3520	9243	0	13164	12224	2009	2042	3894	18261	7846	14023	0	12391	3533	0	10794	7697	Peptide	0.3809524	1.4761904	0.14285715
14	C21 H31 O8 N3	454.21838	454.21893	0.03105236	454.2184	6070	2953	0	6087	1906	2423	7586	6285	3052	3585	2985	3420	1573	0	5043	7770	5981	3521	3212	6762	3870	5414	4710	7013	9898	0	3442	0	9973	4115	7611	11532	10807	5135	2502	6634	10804	4732	5021	4454	0	5866	0	0	0	4078	0	0	6291	5935	5923	7778	2210	0	3123	1115	0	7728	0	0	0	0	2335	3330	2411	1724	2448	5009	0	3727	0	7451	7203	5266	4565	4679	0	6835	4130	0	3863	2584	4226	1724	1397	0	10484	3005	2612	10103	20442	15335	18848	0	2285	0	9092	6717	1624	0	0	9672	2761	8931	0	8529	0	0	5439	3212	Peptide	0.3809524	1.4761904	0.14285715
16	C21 H31 O8 N3	454.21838	454.219	0.09316715	454.21844	4610	10018	5667	9915	5644	4896	8324	10049	4738	8033	17824	3650	0	6413	7912	14594	7677	0	6015	26669	13943	9814	6692	14385	11063	23745	6749	10916	8902	6361	9585	0	11415	7834	5105	9540	12043	7342	6474	11527	12245	5997	0	0	0	7888	7285	0	11380	6458	13635	9251	7438	0	0	1985	3526	9059	5270	5351	0	6286	2218	2198	3136	3217	7348	7978	23051	29994	38998	10425	7439	7998	9083	2988	0	6513	5405	6683	7639	2979	4875	14700	1581	1963	14681	7424	5849	31830	19922	21108	0	5486	13653	0	4245	7710	3305	1090	1509	11356	4510	5333	4241	0	4024	0	10975	2918	Peptide	0.3809524	1.4761904	0.14285715
22	C26 H31 O6 N1	454.2224	454.2229	-0.13157846	454.22235	22794	18781	25559	21669	15027	12652	9133	23171	10182	32677	40104	11482	4299	12297	10280	24089	23048	11816	13236	55153	50832	25699	13721	31152	20095	93266	10356	40868	18933	17391	18625	22609	22522	21447	30889	22997	22280	9825	19182	40621	53103	12790	0	0	0	30911	26168	0	22127	18509	24637	22284	15861	0	8805	8019	10847	23911	15083	20322	26132	28960	8323	7450	9541	13132	20475	19323	73773	82896	115916	17491	15942	15177	14228	17548	0	11981	22508	23399	13105	14028	18668	34449	10529	13836	30432	20445	14364	39606	27789	23770	37517	20014	29730	0	24904	20786	9815	11263	11718	25277	10206	29170	17665	22911	9501	0	17049	9941	Phytochemical	0.23076923	1.1923077	0.038461536
18	C26 H31 O6 N1	454.2224	454.22293	-0.17116399	454.22235	12013	12202	11151	9751	2376	3932	6376	7987	3686	18953	18272	5411	2085	4125	4471	15594	13769	3689	7801	17175	28168	11037	4495	7575	8710	40123	9200	19628	8808	5225	6197	8592	11844	5925	13909	10529	9795	5991	13399	14729	25581	6438	0	0	0	11381	9867	0	9831	9890	8305	12437	5196	0	3764	2704	4721	8849	3808	9979	11954	8606	0	2746	4507	2734	7182	14064	31954	37680	53829	6362	3141	5351	8799	6995	0	4822	10463	13150	5903	8088	3156	14874	2306	2657	9694	5776	8111	30061	18740	13319	21229	7958	11543	0	11401	11086	3444	3213	2128	9946	5561	9435	5397	11455	2532	0	8074	3014	Phytochemical	0.23076923	1.1923077	0.038461536
16	C26 H31 O6 N1	454.2224	454.22293	-0.12783815	454.22235	4610	4769	5667	6652	2022	2700	3999	4214	2028	8033	15221	3650	0	4168	2668	7135	7677	0	2767	23051	13943	4642	3725	5688	4690	23745	2527	10916	3188	3777	4715	0	3813	2242	5105	3652	4858	3683	6474	8604	12245	2808	0	0	0	5295	7285	0	5234	2455	13635	5478	4650	0	0	1985	1736	3919	2402	5351	0	4228	0	2198	1596	3217	4924	7978	23051	29994	38998	3227	2736	2996	4215	2988	0	2972	5405	6683	4685	2979	1580	10905	1581	1963	8218	4126	2439	31830	9154	7027	0	5486	11144	0	4245	7710	3305	1090	1509	4407	2623	5333	4241	0	2379	0	8222	2918	Phytochemical	0.23076923	1.1923077	0.038461536
26	C26 H31 O6 N1	454.2224	454.22278	-0.14237602	454.22235	7582	5368	5910	5221	6383	2881	1832	0	4460	7980	13542	0	0	3388	0	6467	6266	0	0	12428	15349	4614	0	7017	0	31278	0	17639	0	0	6667	0	6228	3048	8875	0	6825	2988	4090	11778	15715	0	0	0	0	0	7293	0	6009	0	5807	7410	4112	0	4185	0	2864	9034	4560	4937	5626	9617	0	0	0	5169	4653	4292	28902	18927	31014	5568	3119	0	0	3259	0	0	6234	6994	3418	5931	3490	11742	5198	0	6289	4806	5470	6681	6080	4147	7515	5897	0	0	7524	8115	0	4548	0	5730	0	7018	6394	5562	0	0	2505	2551	Phytochemical	0.23076923	1.1923077	0.038461536
14	C26 H31 O6 N1	454.2224	454.223	-0.056454387	454.22238	3708	2544	0	3011	3198	2215	3672	2442	1829	7947	10749	0	0	0	1360	0	4221	1504	1918	18685	17942	0	1324	5893	2485	24854	3199	11800	2468	2701	2404	0	4332	3316	11318	3069	3644	2760	4062	9931	6096	1787	0	0	0	5536	5466	0	4310	3542	2777	3656	1595	0	0	0	1552	2709	0	0	0	2218	0	0	843	0	2028	3922	21964	25990	29450	3110	1123	1800	2640	1172	0	0	4606	0	1361	1415	0	7189	0	0	3353	2695	2713	8586	4702	0	3255	0	5413	0	3898	5661	1313	0	0	2651	2799	3037	0	4064	1653	0	2833	0	Phytochemical	0.23076923	1.1923077	0.038461536
24	C26 H31 O6 N1	454.2224	454.2229	-0.092400625	454.22238	15573	18018	19403	15974	13174	8327	8124	16964	8820	23575	37223	5996	8157	8531	10529	18344	12934	7444	18719	36442	35914	22083	9636	22914	13883	76844	3197	42844	13223	10566	12881	10852	13895	10892	26386	11159	15380	7261	15097	31374	39189	11491	0	0	0	21519	26743	0	14843	13393	16514	17201	11599	0	7438	8597	7616	14964	11265	14281	20166	25842	9412	8232	4788	12495	15521	14355	73581	61862	76084	15177	11553	12944	6957	8747	0	9515	13784	19986	8893	13451	11904	31723	11049	9596	18358	13084	14225	27141	12199	16125	32772	20747	18708	0	17556	20298	11401	10668	10646	17801	7963	18170	15211	21309	8915	0	12517	7001	Phytochemical	0.23076923	1.1923077	0.038461536
28	C23 H35 O8 N1	454.24353	454.24402	-0.16678463	454.24347	8378	5728	6495	8015	8574	4126	3029	8860	10608	11677	4200	2919	13514	6099	3337	9501	4733	10037	20538	12158	12394	5931	4217	5087	4284	14152	4478	5339	7247	7208	3722	4243	7566	4558	14134	7293	8838	3148	5904	5287	6536	2754	0	0	0	6011	5211	0	6917	4895	9063	6562	9641	0	15145	8310	3618	9905	2919	2158	10614	2680	11728	9392	4971	12192	3922	5411	12168	26220	23797	6267	3049	7080	4369	5519	0	2779	5922	3808	4139	1965	2668	3886	33208	16298	6241	3385	5189	5001	5960	5354	5927	4425	3433	0	6809	7428	4937	9127	16752	6419	2552	6224	2851	5003	12443	0	4141	9872	Lipid	0.3478261	1.5217391	0.04347826
10	C23 H35 O8 N1	454.24353	454.24417	-0.12992784	454.2435	22277	19711	15726	18917	7398	7883	16610	34654	5745	20570	6682	15791	8766	4220	17879	26534	15664	7757	11210	26838	25296	22388	18317	29482	18255	9419	11748	10331	26484	28906	26018	25957	30902	23853	32070	31745	31364	12181	18896	19347	9195	7553	0	0	0	17833	8649	0	31731	23899	18669	18985	7221	0	7485	3943	3708	31055	11276	5750	16146	8510	7347	7475	4669	7321	7580	16389	11097	15372	9884	25372	26903	30792	16856	20262	0	19741	12817	0	11201	5161	8088	10920	5204	5242	15261	5324	11902	22331	81160	35786	31915	8113	18196	0	18875	22079	4838	5297	6770	24460	13615	37092	0	18475	3794	0	13280	9591	Lipid	0.3478261	1.5217391	0.04347826
8	C23 H35 O8 N1	454.24353	454.24423	-0.09271951	454.2435	16399	15394	11465	14669	3469	5337	9312	23457	7817	17990	7208	9772	7259	2021	12506	17554	11848	4917	10202	24160	18831	17556	11511	17255	13606	5431	8167	4546	17116	18976	17857	19339	20907	15329	22818	20974	21129	8315	13964	11506	8256	5599	0	0	0	11249	9442	0	22696	17878	12660	15393	5535	0	7834	3799	3633	17267	2969	1577	14231	5858	6090	7170	2614	4319	6749	11344	4254	10612	9500	17065	15438	15556	11085	16957	0	11074	8149	9989	6819	4444	5446	9695	3917	3707	10793	7242	8276	18187	37110	20951	28304	9041	13656	0	13881	13241	3643	3756	2333	18045	9674	21543	0	15429	2962	0	8945	6947	Lipid	0.3478261	1.5217391	0.04347826
26	C23 H35 O8 N1	454.24353	454.24405	-0.14471439	454.24347	22485	23570	23460	22773	32592	17093	5904	32046	27898	36795	22112	11156	38890	18059	15766	18818	8678	39775	40932	55174	45005	21631	17810	25580	14549	43490	6636	21319	24278	23513	18046	16026	24998	22015	43433	25403	29362	11430	15003	32204	20332	14947	0	0	0	27747	16708	0	21469	16177	22834	22914	22345	0	38266	34992	15658	23360	14385	10077	26195	18418	40399	21430	10151	32237	19774	12060	35922	73827	61446	19501	22829	15347	16214	17297	0	14022	25250	10581	15160	10110	15824	22014	25180	10372	21407	13757	14859	15832	22669	27538	25554	11202	17681	0	22707	24182	15299	27391	18612	27507	9924	18305	13089	17312	15920	0	15300	35132	Lipid	0.3478261	1.5217391	0.04347826
14	C23 H35 O8 N1	454.24353	454.2441	-0.15451019	454.24347	36474	34407	35219	33353	23293	19832	36361	58620	19550	28825	18528	28693	30593	17123	41988	66247	61136	34557	33371	53899	49798	45852	44810	63957	43840	40027	28017	19445	57447	56087	41712	50152	63210	37030	36274	56522	43226	37146	50770	37957	31283	30697	0	0	0	38963	32261	0	49627	54529	30699	37315	20922	0	32142	26646	15555	50084	29458	38628	40810	21372	16093	19800	15418	29535	20365	45403	31182	43355	34044	36804	37716	56820	57368	44237	0	38249	34970	30355	34611	25569	25192	21976	30668	26672	40480	17798	21109	51994	47776	39259	74083	26255	31419	0	35717	37759	16561	20745	29292	70198	32914	63390	18601	41323	22285	0	30424	18858	Lipid	0.3478261	1.5217391	0.04347826
26	C27 H35 O5 N1	454.2588	454.25925	-0.1324347	454.25873	7947	5883	5437	4274	5367	2705	2678	9760	2991	4929	14087	2973	0	2813	0	8671	6570	0	6288	10136	9849	5171	0	8478	10011	41430	2485	15414	7153	7291	5966	7255	9554	7062	3652	10462	8998	3532	7082	7449	14346	0	0	0	0	7772	6186	0	6561	7755	8206	6695	4663	0	0	0	0	8225	3947	4563	8929	5842	0	2161	0	3586	8814	10625	29684	16326	23685	5081	7180	0	0	9434	0	3348	7836	14155	3900	3504	6224	12860	0	0	11455	3494	4101	11623	9832	10512	10730	6868	6360	0	4633	7360	0	2518	5071	9726	3116	7751	0	8362	0	0	6919	0	Phytochemical	0.18518518	1.2962962	0.037037037
22	C27 H35 O5 N1	454.2588	454.25925	-0.16118918	454.25873	3833	6308	5379	8188	3490	2755	3498	11615	1307	7094	12308	5179	0	0	4225	10327	14202	0	1632	7966	12859	6424	3322	13103	5387	27614	5561	12483	6353	7015	7420	10918	6327	5865	3527	7101	6200	4940	9906	7316	17202	6992	0	0	0	3905	6157	0	7434	5062	7446	3848	4087	0	2275	0	2030	10083	3349	11503	7225	4601	1577	2280	2072	2248	4202	11466	18563	17397	27487	3966	3934	4984	6733	6661	0	2450	6946	8244	3115	4083	3050	10443	2662	3375	9369	5985	7735	17602	14634	11466	10912	6309	6375	0	7179	6921	2551	2325	2287	9321	6797	8638	4051	9361	2366	0	7636	1600	Phytochemical	0.18518518	1.2962962	0.037037037
6	C20 H39 O10 N1	454.26468	454.2655	0.2477085	454.26477	1549	1292	809	997	30396	1593	0	0	1148	0	0	0	6742	68270	0	0	0	0	0	0	0	0	0	0	683	0	660	9594	755	0	0	746	0	0	0	0	0	0	0	0	0	1181	0	0	0	0	0	0	0	0	1694	963	12245	0	2045	1738	11254	0	0	0	0	0	0	1380	2885	5541	5345	0	0	0	0	0	0	0	0	0	0	0	0	62794	0	0	0	0	925	0	725	0	0	0	97547	22541	0	4726	0	0	0	1935	926	0	622	0	0	0	0	0	9599	0	0	0	Lipid	0.5	1.95	0.05
4	C20 H39 O10 N1	454.26468	454.26578	-0.068919465	454.26465	558	1128	0	748	8415	1102	0	0	0	0	0	0	1671	23968	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	422	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	653	671	2902	0	569	1348	5848	0	0	0	0	0	0	706	2062	1026	2171	0	0	0	0	0	0	0	0	0	0	277	683	55091	268	0	0	0	554	236	0	0	0	382	50059	9107	0	2541	0	0	0	959	0	586	479	0	0	0	0	0	5528	0	310	0	Lipid	0.5	1.95	0.05
2	C21 H35 O6 N5	454.26602	454.26657	-0.37927693	454.26584	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	337	0	0	1270	744	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	392	59089	0	0	0	0	0	0	422	0	0	1401	5225	1221	0	2044	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.6666666	0.23809524
8	C21 H35 O6 N5	454.26602	454.26663	0.026470186	454.26602	0	0	0	0	0	2257	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1002	2206	0	0	0	0	0	0	0	0	0	0	0	0	0	843	0	0	0	0	0	0	0	0	0	0	0	0	8853	0	0	0	0	1917	0	0	0	0	0	28012	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2151	Peptide	0.2857143	1.6666666	0.23809524
26	C24 H39 O7 N1	454.27994	454.28046	-0.1483852	454.27988	29429	29420	29670	32160	32508	20157	21007	33952	31952	35045	20058	10526	45658	26192	27139	28754	18840	53324	68140	49465	41997	27490	18873	24488	35195	31707	16599	26019	39208	25729	28330	31664	47923	28236	51298	41479	45688	19050	16601	39096	17246	25337	0	0	0	25341	12668	0	30308	22235	27472	29979	26881	0	51388	35016	16209	33840	29742	7019	37044	20964	34986	28568	12457	41004	29551	21867	27128	54909	37708	25853	29000	32733	18452	25284	0	22067	25093	17585	15483	12559	24271	21751	33128	23821	39358	15794	26991	18887	65493	70493	39293	19210	23404	0	30514	36975	20322	31406	33201	43573	14454	34044	26802	25673	24530	0	21471	35645	Lipid	0.29166666	1.625	0.041666668
20	C24 H39 O7 N1	454.27994	454.2804	-0.17203014	454.27985	33877	25708	27915	24070	28546	20561	36544	36536	26380	15775	14209	25804	25102	22703	32569	51399	52110	32145	44270	29562	32431	20819	24341	38526	25312	28326	37550	15000	48136	43857	28180	41131	47985	30352	14840	43721	42077	22892	44593	14708	16776	28066	647	0	0	18067	21541	0	36620	30324	32223	31455	26686	0	32015	27116	21641	43587	19887	23869	43198	11019	31437	29710	20836	26175	28190	45943	21228	30099	30705	25429	28065	44729	51446	39491	0	28823	32575	20927	24474	12167	29971	26617	35689	28214	45465	26510	23584	47281	50004	36834	42777	18830	20900	0	28967	35992	21745	29275	39473	49907	25419	42560	19254	31554	28293	0	29221	31421	Lipid	0.29166666	1.625	0.041666668
18	C24 H39 O7 N1	454.27994	454.2805	-0.08382686	454.27988	8376	10671	12778	9201	5634	3796	10402	16423	5096	4078	3836	11788	6318	6479	13829	16947	21364	8643	14899	9998	6127	3962	10090	8897	7678	7148	14201	5341	13418	16156	11851	16529	14096	7071	2859	16993	11919	9950	22318	5065	2539	10383	0	0	0	5456	7563	0	15200	16039	8768	7643	6413	0	6490	5654	6369	18352	4353	8502	18629	2483	9495	3864	4890	6059	7953	18971	5027	3834	6611	9447	11544	15188	19692	13639	0	9786	13493	7989	7100	4877	7611	4390	11212	8160	17004	7664	6325	18591	17991	10871	16796	1693	8198	0	7239	8633	4471	8544	13122	15592	10511	12306	2959	12783	7143	0	8354	4286	Lipid	0.29166666	1.625	0.041666668
12	C24 H39 O7 N1	454.27994	454.28055	0.10584347	454.27997	2492	3264	5338	4797	1073	1284	4953	6978	0	0	0	2859	0	1372	3097	5954	3601	1239	2262	0	4615	0	5233	0	10019	0	1722	0	5736	5455	7128	4280	5150	4869	0	5750	6108	3768	3550	1499	0	987	0	0	0	1892	0	0	5388	6451	0	3908	0	0	0	0	1126	7125	0	0	0	0	1509	0	776	1727	2515	5193	0	1948	0	6551	4768	7683	3414	7110	0	4616	6212	0	1615	0	787	1842	0	0	59083	1123	1812	24729	12313	3313	5938	2825	3118	0	2694	2460	0	0	0	3380	4005	4871	0	5037	817	0	8649	1426	Lipid	0.29166666	1.625	0.041666668
8	C24 H39 O7 N1	454.27994	454.2807	0.032948043	454.27994	3002	2380	3008	2939	0	0	0	7294	0	1157	1641	3282	0	0	2855	4829	2274	0	1558	1846	1131	1750	2209	1688	7667	546	2333	0	3346	4106	5644	5019	3312	2724	1475	5295	4312	2415	2840	1216	0	0	0	0	0	0	0	0	9363	5356	2446	2709	1489	0	0	810	0	6215	0	0	4539	0	0	660	0	0	1252	2394	0	0	0	4611	2363	4268	4262	5033	0	3127	4461	0	2155	0	0	0	0	0	25735	0	1032	13958	0	0	7379	2509	1747	0	3315	2076	0	0	0	2559	3252	2883	0	3480	0	0	5728	0	Lipid	0.29166666	1.625	0.041666668
14	C24 H39 O7 N1	454.27994	454.2804	-0.08428035	454.27988	1928	3675	1983	3258	1037	1567	3446	6743	1346	1800	0	2084	0	0	4072	5470	5072	0	0	0	1736	0	4244	0	6627	0	2149	0	7886	5555	5401	9078	5487	5369	0	9888	5771	4603	5845	1508	0	1164	0	0	0	0	0	0	5426	4068	1879	0	0	0	0	0	618	9485	0	0	0	0	0	0	783	0	1467	5808	0	1970	0	3746	3561	6589	3306	6566	0	3538	3535	0	0	0	0	0	0	0	41291	0	1499	28773	11602	3474	5490	0	1795	0	2839	2272	914	0	1353	5396	3844	1927	0	5315	0	0	7068	0	Lipid	0.29166666	1.625	0.041666668
10	C24 H39 O7 N1	454.27994	454.2805	0.008740709	454.27994	5668	3865	4082	4868	0	0	5096	7844	912	1336	1236	3490	0	0	5406	5694	2854	0	0	3546	2925	2665	2259	4613	9216	0	2907	0	5791	7224	6467	7314	6638	4047	3218	4681	8404	3997	4286	1996	0	1462	0	0	0	0	0	0	9854	6740	4648	3112	932	0	0	0	0	8400	0	0	8486	0	0	0	1031	0	1116	4754	0	2519	0	9268	4759	7773	6843	5592	0	4447	5081	0	1353	0	0	0	0	590	39030	854	1280	22658	21871	3662	5802	1487	3596	0	5945	3116	0	0	0	5919	3432	4740	0	5096	0	0	6646	0	Lipid	0.29166666	1.625	0.041666668
18	C23 H39 O6 N3	454.29117	454.29175	-0.19449067	454.29108	0	0	0	0	0	0	2274	2936	0	0	0	0	0	0	0	0	42915	0	0	0	0	0	0	0	0	0	4521	0	0	0	0	0	0	0	0	0	0	0	55681	0	0	0	0	0	0	0	0	0	0	5155	1665	0	0	0	0	0	0	0	0	0	2177	0	0	0	0	0	0	1509	0	0	0	1254	1248	0	4158	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.6956521	0.13043478
20	C28 H39 O4 N1	454.2952	454.29578	-0.007684733	454.2952	0	0	0	0	0	0	0	0	0	0	0	844	0	0	0	0	0	0	0	0	0	0	0	0	0	1984	0	0	1722	0	2429	0	6656	0	0	0	54210	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5043	0	0	0	23703	0	0	0	0	Lipid	0.14285715	1.3928572	0.035714287
20	C21 H43 O9 N1	454.30106	454.30167	-0.10828582	454.301	0	0	1485	0	0	0	0	0	0	0	0	0	3087	0	0	0	0	0	0	0	0	0	0	0	0	18687	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	747	0	0	0	0	0	0	0	0	0	0	1833	0	0	5572	0	0	0	0	0	0	0	22671	67605	19374	0	12990	9450	17924	0	0	0	0	0	0	0	0	2877	0	0	0	0	0	9663	0	0	0	0	0	1715	0	0	0	0	0	0	0	0	0	0	0	0	6703	0	0	0	0	0	Lipid	0.42857143	2.047619	0.04761905
24	C21 H43 O9 N1	454.30106	454.3018	0.20712851	454.30115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2477	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12604	0	0	8834	0	0	3908	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	152194	0	0	0	0	0	Lipid	0.42857143	2.047619	0.04761905
24	C25 H43 O6 N1	454.3163	454.3168	-0.11846311	454.31625	4161	6683	7190	4785	7107	2815	30330	5470	5040	3674	5310	2624	6246	9194	2522	7167	14109	5740	11967	3630	2788	2719	2442	2412	6873	5981	28213	6932	7025	6980	4233	10265	10567	5373	2726	11154	7059	3884	11628	2306	3813	3501	0	0	0	3303	2003	0	7459	7725	7762	5565	7182	0	6506	6112	4986	6174	4744	5903	6433	1552	7776	5379	3884	10114	9440	9200	3525	1927	4269	2812	3843	9493	6653	9747	0	4051	3688	3980	2028	3131	10325	8589	3353	3681	10765	4865	7058	11849	15908	9886	4424	1786	4050	0	6447	7110	6397	6900	6249	7952	2596	4665	2147	5482	6654	0	5900	6001	Lipid	0.24	1.72	0.04
26	C25 H43 O6 N1	454.3163	454.31677	-0.17049782	454.31622	8762	6741	7701	8017	9332	5277	35635	6329	6861	2285	7002	3950	5098	9969	6509	10729	5982	6424	11860	6832	0	4468	0	5396	10250	0	21707	13166	11712	13259	8323	9231	14280	8796	3795	13139	12643	5760	9710	4827	2803	8953	0	0	0	0	0	0	9767	0	4888	7921	10146	0	11473	12692	7370	14813	7059	4033	12484	4236	6666	6826	4726	16463	15792	10793	0	3821	4083	5997	6973	12896	0	12132	0	5866	5780	10583	0	6857	11503	6771	13047	8665	16448	5309	10677	10447	23582	18573	9237	4403	4927	0	7276	11199	3675	7387	7672	14019	4505	11410	10018	7207	8206	0	7597	6757	Lipid	0.24	1.72	0.04
26	C22 H47 O8 N1	454.33743	454.33783	-0.25852898	454.33734	0	0	0	3093	109527	15250	0	0	0	0	0	0	36039	68327	0	0	0	5841	10585	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31590	0	0	0	0	0	0	0	0	0	4413	14721	0	0	0	0	0	0	0	0	0	0	0	7521	12925	38170	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	105872	23884	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9996	0	0	0	0	0	Lipid	0.36363637	2.1363637	0.045454547
24	C22 H47 O8 N1	454.33743	454.3386	-0.26848966	454.3373	0	0	0	0	0	0	0	0	0	0	2486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3658	0	0	0	0	0	1559	0	0	0	0	0	0	0	0	0	0	0	4575	0	0	0	0	0	0	1365	1419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1124	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41008	0	0	0	0	0	Lipid	0.36363637	2.1363637	0.045454547
14	C26 H44 O2 N3 Na1	454.3404	454.34143	0.62238175	454.34067	3146	2693	1949	0	3292	2403	0	0	0	0	0	0	1513	6464	0	0	0	2841	0	0	0	0	0	0	0	42661	0	0	0	2194	0	0	0	0	0	0	0	5362	0	0	0	2545	0	0	0	0	0	0	0	0	0	0	1853	0	0	2060	6330	0	0	0	0	1942	0	5842	43617	0	6424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5750	205119	0	0	1700	0	0	0	0	0	0	0	1989	0	0	4203	0	0	0	0	0	0	0	0	0	0	Lipid	0.07692308	1.6923077	0.115384616
20	C26 H47 O5 N1	454.3527	454.3534	-0.27510303	454.35257	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2857	0	0	0	0	0	0	0	3953	0	0	0	0	0	0	0	0	0	0	0	1260	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1126	0	0	0	0	0	196942	0	0	0	0	0	0	0	0	0	0	0	1916	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1923077	1.8076923	0.038461536
26	C22 H14 O11	455.06088	455.06137	-0.065162204	455.06085	8354	7019	8465	8166	13518	9291	1906	0	14204	6034	0	3065	29937	7959	0	5745	0	25298	20238	6024	6049	15039	8084	5115	0	0	2809	0	0	0	0	0	1707	0	13532	0	2835	7120	2393	4135	4113	0	0	0	0	0	0	0	0	0	8657	7367	12925	0	24758	15605	7902	2363	0	0	0	2933	33072	14823	4402	24141	3816	2263	0	4818	5626	0	0	0	0	0	0	2780	12552	5795	11176	4353	0	0	21658	13385	12179	7685	7412	3372	0	2550	0	15240	25652	0	7501	8461	11543	16821	20306	0	0	0	0	3604	9531	0	4536	29834	Phytochemical	0.5	0.6363636	0.0
16	C22 H14 O11	455.06088	455.06155	0.02055703	455.06088	5875	7854	5399	6613	13366	6218	1682	0	16281	16373	7402	978	15808	4072	0	0	0	14801	12347	7557	14355	23973	2820	2302	0	3166	0	0	0	0	0	0	1843	1962	27349	0	0	1973	0	3951	7983	3412	0	0	0	4983	10942	0	0	0	5455	4020	10065	0	10367	16090	6690	2492	1283	2287	0	3650	32816	13541	4546	22779	6182	0	2777	0	5998	0	0	0	0	0	0	1196	10349	13665	4877	6218	1033	2089	19480	5033	6652	3540	4276	0	0	0	0	30756	22044	0	4765	6857	15625	22031	22595	0	1371	0	8760	0	11998	0	2078	26516	Phytochemical	0.5	0.6363636	0.0
18	C22 H14 O11	455.06088	455.06152	0.06556131	455.0609	13460	8908	8307	13394	19679	6147	2262	2112	19512	13369	14903	1686	36806	8434	4667	2307	2193	23275	20640	15108	17421	30611	5411	3244	2774	3349	2676	3718	0	0	0	0	1820	0	24623	0	3842	5455	2412	9169	11183	4910	661	0	0	8724	19254	0	2042	1519	11671	16610	15445	0	20859	19444	11122	5950	2192	4125	3458	7767	44668	20089	10666	29683	10109	1651	7359	3644	5984	0	0	0	1743	0	0	1229	19408	18864	12856	14790	2381	6164	34291	16042	9625	8852	6978	5586	0	2662	3883	30693	33580	0	12219	10799	23250	32420	28017	4944	1773	5101	9343	2834	16506	0	3166	34929	Phytochemical	0.5	0.6363636	0.0
24	C22 H14 O11	455.06088	455.0614	-0.04045956	455.06088	7709	10602	12046	7903	18637	8780	3804	1302	21744	11958	3506	2758	27419	10496	6436	4789	2789	24961	26483	5361	7961	17581	7734	6233	2998	1999	3100	0	1608	2007	1468	988	3063	1024	11184	1510	4703	5082	1512	3628	4946	5848	0	0	0	3460	8122	0	2444	1650	9426	8031	14963	0	22182	17506	7391	1449	3161	1915	4831	2563	33304	18932	6346	18168	8673	0	3197	4279	4425	1647	0	0	0	1753	0	2356	16947	11098	15732	6223	1259	3584	26205	14405	13467	7840	11121	5365	0	2122	9416	19037	24400	0	10850	8835	12759	22219	16739	2444	3367	1680	2577	4178	16328	0	5959	32137	Phytochemical	0.5	0.6363636	0.0
20	C22 H14 O11	455.06088	455.06143	-0.031458426	455.06088	11377	15608	12477	10164	24394	7572	3307	0	26145	20368	11039	1535	43135	11131	8805	6178	3055	35802	29847	11069	13275	28417	10315	5144	4980	3840	5841	2517	2180	1569	0	0	5812	1546	22901	0	3980	4730	2302	6310	16609	6898	1538	0	0	13925	18761	910	3827	2903	13662	12647	16387	0	16507	24387	11359	6556	3608	4773	3955	6556	49397	22810	16655	35964	13751	4569	6186	4071	4546	1611	0	0	0	0	0	4662	17867	18426	14577	15021	3283	7812	34325	14583	14001	12569	11265	7356	4720	5304	5770	32958	33550	0	17118	9534	24400	33412	25993	3891	4950	2263	11900	2909	21612	0	5428	37570	Phytochemical	0.5	0.6363636	0.0
28	C22 H14 O11	455.06088	455.0614	-0.007758436	455.06088	7242	5418	6427	6228	16497	7151	2137	0	14333	7756	2436	2845	22261	7537	2832	2670	0	22463	24873	3316	5712	13090	6196	3485	2863	0	2217	1716	0	0	2188	0	2526	950	10990	0	2975	3234	2273	3391	5642	2305	0	0	0	3346	6563	0	1394	0	7268	8173	10780	0	20443	11924	5115	2542	1663	2720	3673	2400	25905	15877	4807	21505	6558	1904	3339	3359	3326	0	0	0	0	0	0	1661	14193	5488	11671	2928	1323	0	21218	10561	12643	2750	5746	3926	3293	3640	2157	15764	19861	0	8061	5566	9390	17773	17611	3219	1843	2138	4989	2062	10799	0	4139	21771	Phytochemical	0.5	0.6363636	0.0
22	C22 H14 O11	455.06088	455.06143	-0.06915	455.06085	10887	14593	10795	9435	25064	10960	3961	1934	27882	9414	3469	4369	29111	9463	5487	4585	3199	39246	27091	4910	9819	29158	9476	5654	5727	0	3921	0	1614	2298	2217	0	4942	2335	17743	2043	4645	9362	2488	5718	7443	7057	0	0	360	7962	11372	0	0	1902	12147	12519	15585	0	26673	20587	12389	6056	2691	4026	6416	4719	41677	19198	13376	26021	9912	3406	2675	3182	9056	2417	0	0	0	2775	350	3918	18917	17615	14146	10826	2336	5005	32781	16897	13219	12208	10863	8004	5077	3624	3798	31521	21955	0	10615	10012	19415	32093	27174	4728	1870	4323	10786	6151	22690	0	5585	38419	Phytochemical	0.5	0.6363636	0.0
8	C19 H18 O13	455.08203	455.08273	0.022943068	455.08203	4759	6562	4217	4720	17066	4750	0	1545	15284	3219	5162	3555	28032	3739	2079	1894	2947	11540	12662	1165	6783	8668	5911	2113	0	0	1506	0	0	1250	1025	856	1833	1012	9093	940	2351	2493	0	1174	0	4118	0	0	0	0	7755	0	1634	1143	5184	4521	9892	0	14387	18598	6960	1767	0	2576	0	1323	38121	18446	7301	19311	5117	3823	0	0	0	902	0	0	1263	0	0	1222	7042	0	4410	2896	0	0	21368	4401	4593	6661	5305	2638	0	0	1274	10807	4460	0	5815	8349	19842	33032	23618	2316	2774	0	0	1811	14535	0	611	32990	Phytochemical	0.68421054	0.94736844	0.0
10	C19 H18 O13	455.08203	455.08276	0.075775675	455.08206	17284	13351	11281	13849	36119	15199	2642	2789	40142	10498	16519	8381	58807	10834	6178	5914	5400	26720	27488	8866	15607	31917	11667	4593	0	0	3433	0	2354	2358	1838	2152	8662	2813	13774	1465	4695	7053	4622	5825	16431	15405	0	0	0	6651	26465	0	2269	2827	17229	14433	19422	0	33825	40213	16265	3296	2250	5745	11251	7130	81078	39454	15572	43544	12181	6809	0	0	0	2941	1437	1698	5255	2203	0	4691	18433	7172	12340	10880	0	1260	48620	12569	10323	15867	12929	6201	0	2327	4170	27197	15738	0	12923	13538	41870	59312	53450	8479	5367	0	0	5540	31823	0	2742	66511	Phytochemical	0.68421054	0.94736844	0.0
14	C19 H18 O13	455.08203	455.08267	-2.53E-5	455.08203	73590	60350	56468	64338	127696	71844	10444	12344	154516	29094	66316	31318	238376	42712	25994	14111	19266	124160	131824	30546	51232	103754	39434	12500	4843	3284	9816	0	4346	5108	11694	0	19480	8918	55736	7090	25786	28650	12064	23828	38706	42370	0	0	0	36860	127642	0	9854	13694	56496	56242	84076	0	136488	132276	57212	17386	25722	23676	0	42458	277832	183892	49940	152360	56446	13640	0	6988	12754	10740	9706	6704	16347	7962	0	27364	43936	51334	35734	63644	3938	4130	135562	46950	34344	50872	49690	22262	5674	15012	21852	123678	46318	0	71354	51286	137316	171564	144162	22642	26230	11272	91840	23958	90954	0	9234	246094	Phytochemical	0.68421054	0.94736844	0.0
12	C18 H18 O12 N2	455.09326	455.09415	0.23591292	455.09335	72370	86502	86712	56104	152617	71503	2961	32008	199647	50634	63447	65413	276415	33578	43297	7852	59518	172939	193194	8625	107358	166097	87335	10186	1589	0	5511	0	2139	2077	3823	33937	59593	5420	92233	3539	11649	40747	6413	6699	179654	69713	0	0	0	97270	283960	0	5303	23131	98725	77636	93808	0	225278	183684	98365	14078	9152	17373	0	98703	473985	304135	64344	207445	90904	12021	0	0	9266	4207	4640	25786	64065	3094	0	36133	59439	18532	44661	102341	22068	16784	186814	68672	14683	105152	80145	16020	4703	59489	90392	239445	61863	0	73941	75452	133673	212930	159971	88157	39325	6777	21777	46581	121846	0	4149	364468	Phytochemical	0.6666667	1.0	0.11111111
28	C23 H18 O10	455.09726	455.09778	-0.07961907	455.09723	7189	7702	5486	7023	10568	4714	2123	0	9071	17163	4502	1606	19616	4756	3835	3038	0	16817	15059	7999	10304	18986	5265	2806	3112	6711	2490	2807	0	0	997	0	1832	0	22465	0	3321	3049	1611	5219	6319	0	0	0	0	3805	8437	0	1370	0	6462	4341	7073	0	13256	8941	3279	2170	2552	0	2662	4132	19481	10984	3935	14079	3566	1820	8633	15277	17655	1052	0	0	0	0	0	0	10984	13350	5841	5784	2756	3226	16129	7673	6343	3391	5002	1471	3545	4015	1926	19703	24024	0	5871	6825	9897	11016	12996	2216	1479	3360	3432	1608	9358	0	2930	14516	Phytochemical	0.4347826	0.7826087	0.0
16	C23 H18 O10	455.09726	455.09793	0.08391867	455.09732	32313	35219	28706	34043	39804	24762	7152	3904	43586	113322	58975	7477	48720	21026	9509	12280	5875	40188	46478	66692	85947	68491	17356	12093	7423	62130	7485	36086	4507	3269	4332	4950	10465	3553	156351	2838	7610	9330	6613	36739	42388	11058	711	0	0	49477	57770	0	3447	3795	37876	28088	24777	0	26698	28426	16581	10125	6280	9459	12771	27116	59557	31468	14819	43112	12948	7824	62050	80449	91563	4863	5339	1661	4626	3994	0	5353	27064	52023	17944	39998	7135	23964	44763	21395	21518	13803	16476	0	15798	15017	0	68853	79284	0	32501	38865	38907	38575	42675	8932	5151	8751	37054	0	27756	0	10488	46106	Phytochemical	0.4347826	0.7826087	0.0
22	C23 H18 O10	455.09726	455.0978	-0.010702672	455.09726	27498	28485	24046	26939	38883	20858	5221	5914	47653	89502	44155	5908	38583	20397	8998	9534	3771	43020	45899	45593	48084	64506	17369	7183	11828	46940	8645	20953	6677	4005	3335	3784	9136	2901	100913	3657	10989	8573	6594	29724	26169	10006	0	0	0	36247	39569	0	5492	1832	26515	24278	29447	501	42117	36193	16533	11983	9517	7878	9884	27248	69093	39239	22774	41213	18465	5465	38938	56674	53987	4211	2213	0	3528	4264	0	5342	31604	40733	23467	35029	7588	25300	47859	31009	24146	11250	15578	9022	16341	16232	10982	65448	75491	0	25004	28855	35553	40067	41122	10295	4040	9594	32787	7191	27418	0	11273	60457	Phytochemical	0.4347826	0.7826087	0.0
20	C23 H18 O10	455.09726	455.09784	-0.001692998	455.09726	39228	39221	38755	34570	54582	27487	9309	5836	59860	139494	72629	5952	75114	29858	14834	13576	5101	58825	62045	73138	82423	81882	17833	9890	11813	72229	10598	35542	3987	5078	4918	6595	9365	5603	161933	4019	14733	12006	5633	48726	46061	14818	2805	0	0	60325	63003	943	8145	4470	32954	37616	32205	333	54739	50416	25827	12623	13333	9066	11495	39752	91588	48584	20647	58381	24129	9902	67508	88336	92444	3205	3184	1767	3577	3217	352	6836	39825	60625	28925	46102	10292	50373	58876	36698	33993	20692	19937	14474	18928	25180	20818	92072	99348	0	33922	40073	59534	60118	51490	11968	7753	13173	47818	13881	44889	0	11426	82840	Phytochemical	0.4347826	0.7826087	0.0
20	C22 H18 O9 N2	455.10852	455.10913	0.06109591	455.10852	3635	5456	6744	5937	4527	1871	2412	0	4593	24127	9824	1599	5520	2273	3030	2994	1604	3976	6580	6291	12458	22647	2220	3705	1917	5705	3842	2219	0	0	0	0	3671	4263	19529	0	3703	1790	2100	20852	16745	2828	0	0	0	12518	13689	0	1986	0	5323	5341	4099	0	4961	6105	3536	4434	3911	2278	2510	9814	9460	5818	3333	6052	5554	2119	8954	10526	11370	1689	2300	0	1641	0	0	0	8083	13597	6333	11528	1459	9441	8296	2045	3665	5044	2831	7601	0	5495	6265	22239	20306	0	4769	4606	3227	6542	4841	1840	2632	2397	8435	4678	2460	0	4809	9392	Phytochemical	0.4090909	0.8181818	0.09090909
0	C24 H22 O7 S1	455.1159	455.1167	0.5944274	455.11618	1967	2179	0	2005	0	0	0	0	0	0	0	0	0	0	2941	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	650	0	0	0	0	829	0	0	0	130652	0	0	0	0	0	0	1868	0	1531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.29166666	0.9166667	0.0
16	C20 H22 O12	455.1184	455.11902	0.037316836	455.1184	157299	151375	136651	153112	181223	146636	65238	101145	232719	224666	121554	74549	314986	77308	115290	83936	51781	282189	239697	216598	221652	249357	130588	104870	63200	38262	50786	76429	84368	79645	100814	102848	121257	74392	303282	85930	121648	88317	63529	169209	136903	82339	4329	633	368	254824	316464	700	98083	85690	161142	144391	139447	615	281113	127938	84049	92742	119687	62333	91346	153131	311714	213717	72453	182886	123432	63207	86034	108707	114882	110635	95314	81887	67669	82941	433	89135	102074	131725	97102	245337	53305	71697	151298	93710	79102	72439	102857	43188	68725	115105	132021	173918	171655	1392	156216	142802	156218	117459	110573	98428	77996	83170	245430	115077	134484	576	55029	329156	Phytochemical	0.6	1.1	0.0
12	C19 H22 O11 N2	455.12964	455.13028	-0.01659747	455.12964	52163	59164	56489	48716	34108	30777	31391	59870	48651	57991	36079	52215	58855	11283	50664	48089	49296	67377	66701	63853	77129	110061	63065	57152	19105	3825	23096	17012	44802	40332	46082	40077	65180	45668	86832	39818	57563	44794	50995	77732	104315	35662	445	0	0	77860	130662	0	46025	54874	61562	49234	36798	0	76193	38086	26507	52483	69723	58955	38771	81590	85707	60957	28159	54663	41414	55620	0	13908	24334	50799	46744	38146	45106	34954	0	42914	44878	60541	38987	58873	26782	17831	30987	23541	37883	37451	42069	82762	21953	52103	85969	76069	41162	0	59725	58981	32494	26598	28299	53139	45804	53090	111838	57560	28896	0	26109	95274	Phytochemical	0.57894737	1.1578947	0.10526316
14	C19 H22 O11 N2	455.12964	455.13028	9.42306E-4	455.12964	77306	79414	73753	68685	49748	45996	46111	58145	59631	123545	89157	50496	74834	25259	54077	48041	51582	76749	68702	96901	97413	115038	52813	60710	33996	78510	35583	51334	40620	46336	47286	43454	65203	35429	163262	44330	57074	48861	50379	97535	100650	39981	0	0	0	93212	142929	0	49465	53820	73233	65481	43251	0	82030	44694	34795	65732	74132	60154	67935	87174	88036	76151	31028	60939	43291	56381	75655	98381	117632	50646	43886	49637	37045	43426	0	47680	57710	61191	50511	78015	38874	45867	57109	36654	58181	38347	46106	64468	44977	67326	84087	81449	78147	0	74792	72276	50272	47884	37299	66128	50861	60800	118839	64069	40920	0	38352	76291	Phytochemical	0.57894737	1.1578947	0.10526316
10	C19 H22 O11 N2	455.12964	455.1303	-0.04906354	455.1296	57170	59546	57794	46480	35871	26180	24470	56221	53137	55976	51846	49706	59808	10998	38779	55130	56814	63538	59287	56599	75154	99355	53856	52254	17783	4074	28689	16181	38186	36712	49232	51487	61905	40220	71123	45786	69196	38495	58903	69234	84688	36625	917	0	0	64930	122044	0	44330	45911	59811	56851	37419	0	78135	34014	26801	40472	55409	54237	46738	54051	72808	65313	32644	56998	41445	66190	14547	12387	23423	46083	47955	43852	43242	39657	0	42615	43539	34342	39862	50528	21893	17094	43702	26886	32275	43956	41416	59707	21747	46119	81925	68435	49629	0	54791	61906	33803	34704	31662	69089	42361	51585	90862	60769	34228	0	26632	80765	Phytochemical	0.57894737	1.1578947	0.10526316
6	C19 H22 O11 N2	455.12964	455.1304	-0.04538227	455.1296	14665	14021	13401	14879	11266	6112	5515	10803	15327	13855	16404	12353	20717	2571	8561	14615	16810	16053	17875	9033	22856	20315	12648	15571	3772	1433	5961	0	9599	9887	9982	13163	14929	11095	17085	10594	14098	8709	23935	10369	25239	10697	0	0	0	15513	29140	0	15619	13132	15010	13795	10976	0	20431	13255	8163	14606	8297	15277	14279	11272	30045	21586	10623	16108	12692	25528	2844	2213	7397	11286	11333	9356	7988	11115	0	6860	8539	4160	6412	7259	4682	3792	18476	7433	7528	17469	15501	21780	3417	8021	18668	16948	13481	0	15185	16491	7471	14423	14702	15685	9052	12998	13779	17025	12965	0	5879	30208	Phytochemical	0.57894737	1.1578947	0.10526316
16	C19 H22 O11 N2	455.12964	455.13028	0.11922825	455.1297	21302	19522	18367	21783	18076	13026	11362	22725	23716	20168	13080	20225	29786	6476	22773	19366	18551	25104	24241	20673	20245	30025	23553	25023	8428	5957	9725	4044	18950	19000	15616	20978	26310	18918	19494	19944	27734	20705	16019	22239	19692	18374	544	0	0	24816	44310	0	19092	22415	18844	19072	19681	0	31456	16698	12576	21190	27889	12164	24362	21751	22732	26683	10532	27051	16626	14264	6733	7271	10954	19604	12886	21374	17354	17688	0	17536	15703	13204	19448	27033	10662	7474	22992	8806	14782	21249	15541	28535	9902	22275	35237	20294	15753	0	23430	19820	9445	11393	11956	24460	18137	14630	33004	25203	17815	0	14212	32103	Phytochemical	0.57894737	1.1578947	0.10526316
12	C24 H22 O9	455.13367	455.13434	-0.009288382	455.13367	13319	16379	13595	12559	5512	5019	5479	7572	9086	33374	26625	7100	7942	3362	5366	8071	5034	7931	10310	20262	25233	19608	10231	14075	3953	26786	5452	12980	6576	5270	5958	7387	6844	5571	30660	4437	4614	7016	8786	16334	24970	3075	0	0	0	16249	29451	0	10730	6240	11319	13540	6863	0	9105	5202	6315	7458	6400	0	0	10801	11319	6549	2863	6290	7330	10760	29315	33053	41198	3960	8345	5206	7202	5208	0	2827	12720	0	11365	12061	5750	16165	9995	4601	9832	5108	4230	6894	6480	11017	7743	18659	15162	0	11249	14198	10676	8873	7602	11442	3161	7360	0	6142	8593	0	7371	6467	Phytochemical	0.375	0.9166667	0.0
16	C24 H22 O9	455.13367	455.13428	0.00493137	455.13367	59306	64142	51998	49953	47147	29526	24545	24602	54990	182353	118749	22867	55897	32055	29555	28948	19576	56737	66204	117038	135456	75069	32499	31636	24191	159771	29371	79484	22405	20600	24241	24745	32684	19671	205608	21383	27666	27551	20073	79824	91914	19181	1147	0	0	67256	79055	0	27380	23065	65682	60839	32503	0	51187	40730	24189	35342	26078	21806	29790	53671	69103	45284	23780	52179	29949	23844	149076	195377	214207	21157	19865	19659	19101	19749	0	20438	44672	54674	36172	74170	27038	55189	53788	31388	41750	21087	26851	36938	39727	40264	45001	75885	96721	0	55937	54551	49632	48131	44982	24071	15357	25989	49428	31614	39607	0	26863	68120	Phytochemical	0.375	0.9166667	0.0
24	C24 H22 O9	455.13367	455.13416	-0.07971264	455.13364	29406	30704	30540	27479	37872	22635	4749	5722	46207	94902	46156	7143	51274	21288	11959	8929	5242	36202	40207	59986	59350	42146	16296	10313	10151	83953	4415	36842	3519	2276	5325	3499	7939	4550	98381	4528	10410	9817	4675	36820	39761	11993	0	0	0	36469	46725	0	8111	3800	32425	26288	24410	0	44102	38283	17795	8504	8995	5569	10011	33177	59034	30344	14183	41709	20281	6021	80905	109063	121723	5997	4338	1767	3572	5106	0	7255	25998	30690	22333	30997	8604	34888	49656	20449	23392	11217	14429	9833	14793	14039	12288	47520	59037	0	29553	25533	33462	43174	41953	6223	6226	10207	29194	11548	33961	0	7879	48948	Phytochemical	0.375	0.9166667	0.0
28	C24 H22 O9	455.13367	455.13412	-0.068984605	455.13364	7808	6479	10263	7274	12124	6004	978	2306	11225	20430	10594	1861	17736	5369	2351	0	0	10421	13075	13200	15317	13453	4790	3580	2554	18798	2030	8932	0	0	1955	0	2991	1692	28596	0	2304	2741	2281	10589	11488	3331	0	0	0	7605	12539	0	1260	0	6679	7010	8402	0	13950	10734	4270	3138	2211	1156	3448	4888	17276	9117	3912	11791	4696	1952	25389	31443	42747	0	0	0	0	1229	0	1788	9133	10239	5541	6341	2916	6013	16240	5591	6552	3142	4682	1849	5525	6073	3525	12792	17955	0	7808	7284	8994	13020	14371	3454	1561	3927	3806	2802	7190	0	2854	14045	Phytochemical	0.375	0.9166667	0.0
26	C24 H22 O9	455.13367	455.13416	-0.025833238	455.13364	14030	20851	13224	13606	19780	10353	1744	0	19547	45861	18750	3703	34472	13104	0	0	0	24438	20333	29490	30262	25144	10757	0	0	36513	2880	18716	0	0	0	0	3811	0	53484	0	5702	5245	0	20565	15870	0	0	0	0	21327	22042	0	3894	0	16632	13639	13106	0	24265	22636	9214	4033	5766	4415	0	16060	25948	17288	7862	20205	10377	2345	41838	61269	65867	0	0	0	0	0	0	2818	15806	21281	11960	12232	4962	14254	25858	15341	10625	6185	6535	4616	5848	9603	5581	30738	37247	0	16220	13481	13414	28374	27030	0	3314	0	9554	3139	15963	0	3939	24716	Phytochemical	0.375	0.9166667	0.0
22	C24 H22 O9	455.13367	455.13422	-0.04231349	455.13364	51705	60700	49604	56981	81147	37364	13945	19521	78313	179585	119190	14819	78789	50265	20668	21012	12674	80050	65013	126209	123167	78944	29199	19817	24269	184342	11370	87569	14423	11418	10420	12607	21107	11562	229951	8038	23955	22800	10067	88529	76388	21909	0	0	472	78761	86420	0	17087	12585	54446	60542	47206	603	79068	58930	30670	24287	18226	14364	20429	65997	104265	72301	27498	73540	35729	14405	148141	227299	228796	13291	9666	4529	8513	11383	825	15867	43180	52531	37989	62187	16901	70491	88419	45526	40709	28396	27828	21641	33470	42497	30277	93201	111069	0	57536	53899	70956	68183	60026	17121	14146	21659	53110	16946	63442	0	22725	99735	Phytochemical	0.375	0.9166667	0.0
16	C18 H22 O10 N4	455.14087	455.14185	0.50212926	455.14108	20217	21718	17931	22800	15985	11825	7692	10181	17723	57009	41092	6512	17604	9879	14207	13639	12471	23322	22974	40433	51365	34795	13086	15168	10974	42349	10310	24732	12789	7977	11107	9224	12841	6991	67630	10443	16661	8970	13945	41882	49939	10189	672	0	0	27598	33908	0	15111	8780	17559	24170	13386	0	24114	12768	5920	15745	8783	11362	17388	30680	23358	11867	6746	18157	12673	15652	34990	54053	62202	9732	8413	6409	9660	8067	0	7432	17218	32790	10627	26619	12713	32952	12433	10525	16234	12760	12251	33059	17757	23635	0	29698	44732	0	20496	23727	12133	14784	14136	16970	7532	13137	22487	24052	10283	0	13961	20328	Peptide	0.5555556	1.2222222	0.22222222
6	C21 H26 O11	455.1548	455.15564	0.21499662	455.15488	21789	24639	17892	32758	10961	9819	11372	25159	18864	23968	18400	20098	24634	2625	16469	25746	23813	24303	41882	26304	24876	33362	19878	38942	8976	4188	13229	0	17179	20093	21987	24372	39574	25316	55416	20825	18684	16618	41336	9375	29657	11993	0	0	0	26170	34192	0	11922	48581	22543	36591	12524	0	38461	11437	10286	29965	17751	34885	28185	12087	23617	18308	8619	18957	25182	30529	9874	8758	17902	31977	16637	18989	25265	29201	0	14671	33366	0	16039	14715	14143	4173	33363	11617	16705	13233	21014	30813	0	23642	28377	20347	21223	0	20346	36016	19661	21519	25857	38834	18604	30799	0	35633	14180	0	15641	32094	Phytochemical	0.52380955	1.2380953	0.0
10	C21 H26 O11	455.1548	455.1555	-0.032790814	455.1548	335788	310316	519712	535544	153840	269752	208155	688152	214916	1097040	393184	432417	233741	98392	457561	331560	221532	216156	271305	910880	897640	293716	488848	352884	133896	211716	225912	187672	269072	547902	553817	548620	304638	466416	623506	301020	268530	446166	286444	335439	755448	272888	7576	0	0	366400	852344	0	322464	562154	616626	640264	151590	0	287884	171229	118664	600392	544608	257908	351832	487520	234988	195512	234320	204006	274720	264703	243620	327040	686840	564440	532748	609689	249152	520344	0	202519	296936	175792	247729	268452	214504	196956	204164	144928	218800	256904	154832	236554	191608	412040	315446	494792	655808	2384	331136	621472	418528	185272	185168	546168	210028	731104	334504	272416	167734	0	190970	248380	Phytochemical	0.52380955	1.2380953	0.0
18	C21 H26 O11	455.1548	455.15536	0.004976964	455.1548	324758	316561	310517	294869	234419	248580	154038	313439	327160	699017	222551	143052	446241	131493	295521	219642	103860	442702	411493	617063	481397	427390	276868	311348	248013	189423	125188	175962	326925	235365	321279	292587	332858	274965	812136	294952	377401	215683	126054	455732	188768	172644	7610	1128	1056	485783	279120	1057	301080	254817	321433	319619	207667	1618	550199	206830	138485	268055	342062	103525	257116	290892	440493	328352	120737	279602	214459	125377	168817	418570	214707	338329	256856	330902	131539	281875	625	231366	216760	140905	201665	308296	185185	205967	194517	181257	175817	133015	192863	108262	231103	353949	333579	175242	288643	2637	322756	292804	228832	140391	133050	234485	181780	298416	250588	243245	173572	889	164760	446707	Phytochemical	0.52380955	1.2380953	0.0
12	C21 H26 O11	455.1548	455.15552	0.008768767	455.1548	393640	408990	433138	417460	204998	182766	309338	407054	298570	833294	463744	244872	252242	50529	275270	372720	292160	138150	167809	672644	653586	282417	335152	453304	201482	126161	266234	188018	345124	331936	359824	349544	191673	296210	1000414	350758	159878	297454	152191	470116	498122	89445	2854	0	261	266927	611976	0	362322	359888	430996	427694	207468	363	389562	183998	161448	194573	198661	182064	222629	195838	347310	264822	139102	277198	204656	174750	160027	385338	456184	371234	356098	385670	270440	355448	0	274010	311906	112997	302770	387378	271982	282014	234410	171294	293530	140502	202770	172110	123318	168235	361578	361330	409304	1351	433934	442314	276378	185262	192214	368220	113077	412780	278166	152796	224666	0	230792	361736	Phytochemical	0.52380955	1.2380953	0.0
10	C20 H26 O10 N2	455.16602	455.1667	-0.052183762	455.166	112143	101795	99570	91445	42580	47127	70777	140303	63789	121705	64721	75285	70666	17251	96388	102911	74186	72990	93587	115539	116010	169376	87895	136735	67558	16609	71516	42294	110415	107716	104495	118184	144306	99431	159283	102328	129495	80925	79481	135242	103557	59538	1072	0	0	117118	105859	0	120640	111245	104189	105046	50331	0	106320	37798	38068	116884	141461	79605	130835	81967	73801	74564	41218	65805	61423	93805	25023	37306	29266	117954	99862	111993	66899	95279	0	69888	79584	61121	67006	69140	75108	48042	37935	43370	70462	51772	65135	93536	85834	126249	178691	74060	101861	0	103270	105198	38164	33247	37737	128739	76977	156076	99401	113555	34038	0	66909	89846	Phytochemical	0.5	1.3	0.1
16	C20 H26 O10 N2	455.16602	455.16663	-0.054713737	455.166	56062	52099	53807	56521	25817	38249	43964	78200	37774	54751	22816	33078	51637	12996	67130	59360	30441	58678	51274	70221	54577	74267	66454	75252	57320	12599	32602	17873	69714	63521	82033	91020	77685	70876	76447	71800	84984	52859	30460	66354	40689	36902	1052	0	0	68165	32320	0	83050	61447	50005	56428	32418	0	56550	25799	29538	67344	80843	23807	78724	38699	47439	43502	23218	52144	42351	29769	8376	27387	25398	74506	69397	62977	38435	53697	0	51369	42260	20136	35534	32738	47761	27277	22184	30396	39277	28885	30700	33358	42149	84617	97278	31267	45384	0	57104	52922	26523	15817	13902	79810	40972	55656	33952	60614	26624	0	40642	64296	Phytochemical	0.5	1.3	0.1
12	C20 H26 O10 N2	455.16602	455.16666	-0.06198473	455.166	121615	121804	114436	110530	42091	54726	91553	175287	72916	139975	60221	78200	70628	23208	118346	103417	92877	104891	110704	168455	129253	237545	124991	159153	100504	16918	69874	38559	152817	111287	138060	125276	165348	107501	197073	131260	139390	107425	86963	159057	112379	68542	744	0	0	150984	114576	0	134042	134231	112599	111982	64101	0	120715	36960	48214	135448	233098	93164	120949	113979	92873	83994	40334	81052	81194	93921	39350	49936	36560	139609	123078	138857	63628	107935	0	104536	79659	74596	71627	86804	97744	67247	40822	52961	82311	56800	78814	122754	106410	184867	205107	94862	93960	0	120851	142462	45747	31935	35496	141858	88772	156018	98774	137475	50442	0	77033	111501	Phytochemical	0.5	1.3	0.1
16	C25 H26 O8	455.17004	455.17062	-0.074269004	455.17	85751	87561	81257	83776	68023	42657	45710	56985	65775	143239	99572	48313	70959	39877	50150	77161	52602	68659	72874	149109	136078	85639	53747	69515	45524	217508	48611	83646	49345	53825	63551	59114	54484	50388	157910	48187	65328	48722	66568	89767	107105	35327	1601	0	0	74121	93975	441	71183	60124	96774	85887	48037	0	61679	51293	38280	72697	45160	60773	74605	64829	74618	49872	32479	61235	43282	68738	174142	235253	277065	52301	54008	55902	49422	63138	0	37587	91349	64539	65756	67214	53988	86721	72576	38401	82503	46068	36129	104528	74644	60164	87303	55585	81168	579	81879	71859	60953	67239	71510	59723	40283	63497	46280	64980	56529	0	63315	66908	Phytochemical	0.32	1.04	0.0
24	C25 H26 O8	455.17004	455.17056	-0.04549839	455.17	71712	78135	72060	65275	85781	47762	20022	37026	81356	182990	140148	22925	115814	56102	36587	38077	21657	85197	98599	181992	168945	82752	48901	44360	32579	266174	22217	123095	33163	27334	31797	28408	34677	23875	228112	31260	42355	33659	25312	115431	107041	33960	3395	0	0	81544	85234	0	37547	30678	76028	74434	61370	0	84305	80306	40893	39086	30666	24675	39980	84170	114436	67324	29249	91767	49759	26963	258549	324206	363359	30715	22521	18752	18372	25571	0	26875	65681	60756	59210	61202	25995	96032	102638	39963	61299	35359	40247	39232	47757	46656	52897	79359	91492	0	71775	79247	71380	98835	98578	35024	22368	44613	57344	38799	72322	0	37027	108664	Phytochemical	0.32	1.04	0.0
12	C25 H26 O8	455.17004	455.1707	-0.08278762	455.17	15652	13835	9915	11331	6204	5350	13981	14123	6349	16541	15025	9467	3603	3426	8624	12927	13157	5033	8167	19603	14827	10692	11174	11397	7323	20769	10077	12630	10230	10564	9008	12888	10695	6176	18252	9380	8099	10341	16281	13145	30743	6695	0	0	0	13182	24154	0	11407	19403	14420	16345	4070	0	8235	7725	4053	16618	12119	14796	0	9944	6448	5417	4113	8251	5246	18658	23736	24502	33927	10757	9100	10006	13623	12108	0	9543	16326	0	9871	11924	9396	10863	8622	5601	16059	5107	6249	20511	12721	11742	16904	8603	10959	0	15312	14995	5920	7497	8017	12584	8581	13394	0	13540	9017	0	12099	6281	Phytochemical	0.32	1.04	0.0
22	C25 H26 O8	455.17004	455.1706	-0.03741346	455.17	142417	155885	145336	149638	164131	113941	49625	70946	167481	387359	287339	58151	181488	119375	82164	85919	52021	170808	170037	373598	357950	157130	95449	102838	78027	611473	48306	257559	72359	60658	70190	84655	95864	70251	454114	67357	103600	80378	55086	240387	211626	75308	4940	0	630	183879	174277	0	77496	70809	151865	146729	114375	631	149900	140212	81839	86664	79629	54670	91714	171323	197301	133818	68252	167596	106747	61483	498933	740354	714993	73269	56367	49661	38782	70559	855	66129	140399	109213	106437	126602	69749	174618	195762	104038	118614	73055	84025	86442	117107	116801	103523	141709	195310	0	143255	149171	137113	154587	147861	89483	55136	92874	118182	83262	122972	0	77998	189286	Phytochemical	0.32	1.04	0.0
28	C25 H26 O8	455.17004	455.1706	-0.051392764	455.17	11861	12076	12007	10596	13024	7220	2008	5707	18669	23581	17700	3988	30591	9470	5597	7924	3977	15456	19006	23691	26473	15061	6107	8390	3618	41835	4932	17064	4046	3563	5081	3642	7265	5470	28815	3719	6761	5332	5199	14104	20202	4804	0	0	0	9514	16042	0	5416	5744	13430	12115	10509	0	19708	13854	6666	6838	3302	4755	6668	9550	22915	13147	6096	17864	7331	6207	52082	54490	78592	5282	2183	3438	2621	2880	0	3339	13151	14176	9937	8100	5011	15559	22536	8072	10780	5851	7078	5517	8032	10269	9390	15085	18655	0	13874	9756	13020	23447	21526	4811	4140	6930	7363	4781	13592	0	3883	19911	Phytochemical	0.32	1.04	0.0
26	C25 H26 O8	455.17004	455.1706	-0.05748767	455.17	31827	27213	33716	25935	38206	18756	6894	18350	42535	65290	44242	11877	57682	26943	16308	18607	9384	40822	41039	63573	69538	31354	17694	16479	11110	105127	6319	41791	9876	8241	10893	8935	17469	10711	76446	10259	17930	13939	11043	46783	50072	14164	0	0	0	30341	39065	0	16371	10723	29569	31008	28238	0	34619	37185	17908	18384	12919	10138	16209	29325	46359	34718	9460	47116	16636	13562	119342	125720	155077	9559	7060	0	7146	7488	0	9830	29675	29773	24585	21975	10064	38654	48912	19496	26272	17712	14736	16638	18165	15408	20734	27718	47911	0	27050	36470	27745	50428	48245	15812	8051	15390	16407	13906	27943	0	12650	43662	Phytochemical	0.32	1.04	0.0
8	C19 H26 O9 N4	455.17725	455.17792	-0.048605062	455.17725	10725	9299	6567	5150	2770	3146	6416	9379	5412	5855	0	5612	6091	2012	8685	13480	8373	4839	6195	3467	4261	10555	7507	12188	5832	0	7540	2161	10527	5968	9289	9100	8359	7325	5888	10203	12982	7579	12121	4104	4391	4893	0	0	0	6058	4050	0	8744	6842	8946	9677	3988	0	5882	2828	3550	11591	7711	5523	7802	3229	5005	4371	5388	6537	6528	9925	0	0	0	11408	7127	6557	4955	6531	0	5595	8150	3497	5411	3213	4690	1516	2592	0	8451	5954	5747	15306	14079	14883	25270	3392	4507	0	8765	7122	1574	1716	0	11604	5246	7445	0	11125	3778	0	7753	6420	Peptide	0.47368422	1.3684211	0.21052632
6	C19 H26 O9 N4	455.17725	455.17798	-0.1089988	455.17722	8946	7539	4534	6878	2650	4141	5434	8208	3837	3849	2657	6064	4826	1276	8084	12406	6973	6303	9350	5915	3852	11906	8845	11856	5019	0	5246	0	6207	5155	9011	7898	9779	6215	7152	8747	8818	7795	9641	4843	4173	4218	0	0	0	5653	3704	0	9266	8208	8048	7174	4574	0	7126	2402	3228	11032	6677	5396	10234	1974	5240	3951	2726	5565	5917	12619	0	0	0	6790	7533	4907	3541	5612	0	6129	6014	4504	4861	2421	3926	0	5273	4193	8843	5830	5842	17085	6867	12091	22349	3962	2963	0	7142	7793	3099	2130	2768	11247	5829	7212	0	10824	1915	0	6550	6373	Peptide	0.47368422	1.3684211	0.21052632
8	C24 H26 O7 N2	455.18127	455.18204	0.08474431	455.1813	4610	5944	3804	4486	1966	3471	2814	5995	1518	20132	9797	1169	2512	1851	2704	4373	2676	3074	3963	20421	19256	8074	4083	6322	3284	13456	1618	9540	3484	3184	3749	5534	5451	4617	17702	3826	4592	2021	4128	17519	15793	2190	0	0	0	8984	11140	0	4406	3111	6726	7354	2514	0	3399	1288	3047	4780	0	2245	0	7350	2443	3108	0	3266	3247	4980	17742	23148	20073	2416	3795	1928	3544	4231	0	2322	5086	7479	3969	4353	1787	9057	2630	0	4377	2894	2371	7044	0	0	7485	8662	15238	0	3863	3887	2439	2532	3298	5896	2114	5475	0	3102	0	0	2797	2586	Phytochemical	0.29166666	1.0833334	0.083333336
22	C27 H27 O5 Na1	455.1829	455.18378	0.38978234	455.18307	111481	101888	95047	94509	63395	82223	48102	129825	106738	235015	58256	53856	119753	43754	106627	74146	33359	155419	124312	174417	171005	119919	90559	115055	116296	68823	33889	63736	134894	96730	132187	123141	127507	112882	257494	108340	139410	84137	33415	119783	46307	55641	0	0	391	124296	60385	0	96981	102708	99026	98966	72566	838	168415	62745	40450	102632	118730	24697	93076	72803	133921	106872	36228	88333	62494	32640	47610	170601	107780	131620	109744	132784	40359	95225	0	95979	77493	40868	71493	52301	59919	52760	61832	49903	60406	43455	68652	28762	110803	134830	145237	52477	85052	0	96089	105437	56533	58164	56063	93607	62592	101911	60079	102540	51260	0	62526	164498	Phytochemical	0.18518518	1.0	0.0
20	C22 H30 O10	455.19116	455.1917	-0.05110128	455.19116	384375	381578	400077	347571	261858	302714	201425	459360	385891	838738	254165	201452	437322	195929	393295	303259	159092	466150	505288	692644	603508	475291	328131	405750	412178	251398	177924	282635	453097	359082	400623	408852	492985	355669	951621	382547	544163	277065	177724	534080	238368	231731	7336	1376	816	421071	189451	909	397021	343802	363768	355495	245664	1163	575015	244979	153397	391888	477473	136097	348801	300367	435170	363375	144300	297808	261331	171632	211888	570617	312569	427298	372534	461491	178768	334299	472	334852	270549	203416	251886	181906	251322	286642	210246	188539	232109	196519	255421	186711	428497	560887	538234	216277	337344	2713	378120	393601	214180	213983	178406	420364	240432	403300	232543	357188	195759	1427	230991	521738	Lipid	0.45454547	1.3636364	0.0
14	C22 H30 O10	455.19116	455.1918	-0.10423725	455.19113	367636	383610	351592	181086	90969	86377	156532	232910	238342	528146	162323	132060	132921	58029	330472	399054	161511	284658	324828	512872	463594	197690	336810	491580	311416	131185	128897	155068	173592	192769	346484	218579	203905	151550	583192	214015	185678	313682	154365	327802	156018	208580	0	436	511	384348	168101	0	217210	395830	363316	358396	188584	536	347892	100484	158410	407744	230670	147478	216229	232038	140494	262082	147870	225206	215868	166459	125090	363150	167690	173891	172317	227497	164159	201253	0	158069	351602	127384	317364	242620	313842	219046	112860	87754	296128	183658	232596	199195	158830	342128	492132	105957	134507	1503	390160	381270	100982	93071	98272	184460	136101	484004	145860	350332	98307	0	279798	254282	Lipid	0.45454547	1.3636364	0.0
16	C21 H30 O9 N2	455.2024	455.20297	-0.07620554	455.20236	2975184	2879627	3652441	3513000	1928029	1216016	2504093	4687579	1460657	3018848	2315014	2144238	1695620	808380	3560956	3280326	2210707	2721598	3465545	4893044	3043088	3769881	3642019	4744750	3103389	2495020	1728113	1875687	4264704	4179987	3976056	3143127	4292658	3284907	3083793	4177406	4079881	2574238	2262388	4055143	2598065	1902633	37862	7400	2942	2842876	1858580	4004	4260192	4082759	3615262	2757203	1855007	3730	1952024	1726005	1236779	3893690	2671523	1755359	3530010	2703012	2055184	1380740	1075347	1959533	1688786	1671509	2093481	3287327	2531450	4057595	2897144	3348344	2557194	3684725	850	2875179	2575587	1539702	2171659	1968365	3043909	2015909	2043667	1430025	2324500	1829090	1193331	1896311	1922021	3384534	2981977	1570217	2718948	13152	3576907	3177823	1526055	1487942	1762539	4152650	1784834	4359374	1663385	3555064	1210431	4472	2780667	2148143	Lipid	0.42857143	1.4285715	0.0952381
8	C21 H30 O9 N2	455.2024	455.2031	-0.13219154	455.20233	30397	32189	26700	29548	13012	13022	19369	35449	14070	31700	12026	14332	20358	6516	24708	28591	17293	18284	27177	36190	23873	49376	21581	32878	21865	3624	14798	12655	33110	23394	31944	30726	38352	26119	46123	29691	39948	21396	21609	30194	21353	13972	0	0	0	27026	17170	0	38170	29757	26743	27728	12633	0	23155	8470	8619	31730	25689	15518	33471	15897	22300	20275	5720	20538	14584	24157	4544	12895	6459	33349	26276	27360	13585	24724	0	19248	19381	7150	12569	12150	18393	17224	12275	8043	19401	14474	17043	31724	40796	54926	61117	15863	28880	0	27733	33463	8418	8313	7397	34897	17073	42270	8298	28412	12045	0	17268	27937	Lipid	0.42857143	1.4285715	0.0952381
14	C21 H30 O9 N2	455.2024	455.20297	-0.1500272	455.20233	44831	32358	33021	43872	17765	21788	35935	59123	23067	40545	15733	27875	23696	10505	53785	46103	29131	33709	30790	63192	36952	61168	37848	48815	62491	8396	27529	15708	51997	49648	49673	58277	61588	45713	54141	62598	59614	37902	31271	48535	21739	25937	0	0	0	38979	25208	0	50222	49873	37633	38377	22845	0	36632	9939	17365	67540	79233	17792	44318	24921	16807	21255	13713	24608	25295	30787	0	21733	7711	0	42872	58205	26638	43762	0	39820	36237	17497	27724	26204	42676	21347	17760	22605	33642	18754	33621	41304	66542	78657	86681	17478	39106	0	41044	44454	10492	6938	10190	64182	40889	69911	22674	49037	14310	0	37341	27163	Lipid	0.42857143	1.4285715	0.0952381
6	C21 H30 O9 N2	455.2024	455.20316	-0.08302748	455.20236	19978	21387	20627	21149	8966	16436	12040	26988	10352	26270	6538	8947	18679	4523	17706	21573	10850	15632	22442	19030	22042	34317	15894	30280	16104	1528	10225	5882	25318	18552	23687	23416	30189	19527	30583	19538	32266	13900	15823	18594	13635	10005	0	0	0	22445	13824	0	27873	17739	21320	22115	11875	0	19159	8562	6406	24138	19486	11098	26083	10118	17918	14670	4867	15317	13003	16019	2811	9114	5838	20599	20295	20395	6949	17726	0	12950	15690	7771	10235	9684	12979	7763	9456	9953	13400	10305	14144	23005	24959	77896	39118	13820	16554	0	18295	20975	6160	9174	9899	22570	13653	26403	0	23653	7872	0	12087	21066	Lipid	0.42857143	1.4285715	0.0952381
20	C26 H30 O7	455.20642	455.20697	-0.04713781	455.20642	292466	295862	289555	261046	272487	171117	151079	237781	248360	427939	340538	177272	238056	169477	200047	294015	223399	231146	281545	520706	544540	280158	212388	267717	195654	912049	164273	320617	203293	198189	193728	216158	256715	176425	468882	199094	256840	192823	232373	354303	386878	173438	8292	915	607	240520	261856	1448	230398	213377	295173	302688	216695	830	246089	219990	159673	257683	191372	186555	257794	227463	263848	206166	144448	256664	181988	254856	709100	950847	1141959	201816	183374	192758	203682	216180	380	171378	323124	206753	243321	158069	201674	349962	282512	183117	321669	165515	186506	311304	276016	245481	324564	200018	256286	2362	289654	284606	230072	243862	254213	256638	170277	261785	162789	227779	234631	1685	221885	266967	Phytochemical	0.26923078	1.1538461	0.0
14	C26 H30 O7	455.20642	455.20703	-0.085087754	455.2064	26964	36429	26845	31431	15488	7240	29908	27521	17630	26338	20376	24727	10454	9861	20976	29177	37504	7965	15146	28766	31720	35475	22095	30807	17296	31554	24667	16542	21170	28008	27482	25417	16491	16114	29234	24771	18658	19849	32685	17560	31251	10307	0	0	0	19404	34002	0	25959	28273	28744	26261	14353	0	15716	13726	16778	33015	23255	33012	33736	16673	12099	14482	9176	13043	13657	45480	40311	33729	52540	16633	18165	27805	30061	26944	0	24676	42586	0	34572	18566	28498	19661	20030	14719	37213	14626	13078	61153	21739	21995	25725	17011	17104	0	26447	28633	18275	25009	16927	28997	20601	29200	0	21515	13047	0	32813	16998	Phytochemical	0.26923078	1.1538461	0.0
26	C26 H30 O7	455.20642	455.20697	-0.06867461	455.2064	73921	67877	77784	70338	75507	43450	24515	53046	78032	125706	115324	30124	109794	59751	46767	71237	39609	85068	98487	159016	162572	76321	55388	76483	49518	281116	26894	121364	52003	49374	46075	44735	55165	42569	163361	45459	65546	36403	40441	107712	114028	42110	0	0	0	84469	73385	0	46950	56235	76385	74605	63201	0	85089	83881	40080	58480	45955	32555	67220	74872	96233	68096	26720	88612	69702	41746	272813	279783	338887	49469	38303	41087	28240	45650	0	34753	76838	52523	59328	53324	45493	86522	97004	50299	79080	51207	49204	46227	58623	55970	87905	61296	76970	0	70632	72546	61691	100526	101523	61180	30856	57376	49516	51903	70995	0	42457	83272	Phytochemical	0.26923078	1.1538461	0.0
24	C26 H30 O7	455.20642	455.20694	-0.031130856	455.20642	224075	226701	194978	200488	221557	135849	79526	156438	205696	393386	366618	96757	270948	141669	139387	179657	126940	209923	269280	481948	476550	204058	159512	188921	118144	842357	78410	331161	137065	136831	129882	134071	164484	129655	502211	139152	200103	103137	116410	337542	305576	116708	5819	0	0	215066	195798	0	150494	137247	215039	211192	167375	0	213282	200989	105285	162169	129023	101200	178427	229565	248062	170872	101740	226574	151814	122512	707815	865653	930791	142033	120336	110335	81326	124817	0	113787	210960	147342	156299	147567	104989	266504	254655	133002	199622	118862	139807	151993	176292	173640	245699	191831	217086	0	216130	216778	169057	204782	203033	171618	91117	180759	138823	165392	172035	0	140978	231227	Phytochemical	0.26923078	1.1538461	0.0
28	C26 H30 O7	455.20642	455.20694	-0.08947841	455.2064	19077	17203	17072	17356	23445	12317	7662	14151	22108	31693	27954	8175	31867	14808	12365	20816	13647	18513	28405	32612	36563	17886	14522	17810	10020	69390	8058	28235	12618	12455	11533	11473	15360	12239	32013	12858	13504	8442	11469	21685	35143	10824	1245	0	0	15664	19869	1301	13705	14440	18433	17638	21966	0	23809	20482	10836	16891	7979	8723	17952	14271	25319	16064	9058	25180	18002	14474	72909	73353	111264	10382	7026	10758	8732	9546	0	11136	25130	20572	14943	11018	9566	25578	30454	13774	21853	10916	10147	12958	13187	17162	17693	19465	15404	0	18753	19857	14340	31037	37175	16210	9613	17810	10754	15489	17224	0	11446	19344	Phytochemical	0.26923078	1.1538461	0.0
10	C20 H30 O8 N4	455.21365	455.21442	0.1591626	455.2137	3156	3257	3769	3284	1957	1736	1637	3836	0	0	0	1789	1702	0	3063	5763	4220	0	1309	2670	0	3199	1604	4093	4824	0	2308	0	3396	4073	3656	6450	4274	3355	0	2842	4336	2241	2371	0	0	1457	0	0	0	0	0	0	2964	1729	2578	2104	2327	0	0	0	960	3423	0	0	0	1771	2032	0	0	2325	0	4981	0	0	0	3301	3109	3389	0	2358	0	1638	2810	0	0	0	2077	0	1079	1224	4082	2111	0	5690	23316	14393	10468	0	2551	0	0	1594	0	0	0	0	0	0	0	3069	987	0	2778	0	Peptide	0.4	1.5	0.2
8	C20 H30 O8 N4	455.21365	455.21436	0.027472202	455.21365	5451	5085	4274	3330	2759	1707	2161	3168	2189	0	1450	1924	2399	0	4204	4792	2200	1921	2577	2655	1590	6328	3450	6500	5927	0	3154	5325	2679	3796	4364	4567	5099	3883	2018	3141	6852	2547	3629	0	1496	1826	0	0	0	0	0	0	6053	2414	3095	4699	1093	0	4058	0	1597	7305	2444	1251	0	0	1678	1827	0	2384	1340	2450	0	0	0	3073	3216	3416	2238	2491	0	2361	4372	0	2629	1920	2972	0	0	0	3224	2534	3029	7551	22362	15804	11987	0	0	0	4318	4839	968	708	0	7269	2162	3708	0	3766	0	0	3748	1897	Peptide	0.4	1.5	0.2
24	C27 H34 O4 S1	455.22507	455.2258	-0.18553923	455.22498	39304	38400	41496	43970	29135	34704	32906	54185	40324	87077	23540	23623	66882	21988	60560	34556	13239	67163	67370	70925	51651	49271	44339	45340	49176	41240	21329	52824	57296	45388	49460	54397	60979	43185	104794	50953	92184	43629	10852	37815	15455	24598	0	0	0	39740	9444	0	46417	37471	35219	38326	29057	0	77365	31472	20112	44281	56847	8387	42129	26174	58767	39809	17629	47063	32543	14389	24768	48060	42279	52020	46288	55875	15037	35484	0	52527	31515	36693	36121	21215	36815	19258	26425	21655	28072	13319	30240	17372	57617	80316	68726	53319	40695	0	45001	46464	24382	24144	18413	47533	35860	47213	18003	42433	18623	0	28101	56171	Organosulfur	0.14814815	1.2592592	0.0
14	C23 H34 O9	455.22757	455.22815	-0.10313621	455.2275	51648	46758	50516	60066	25100	31108	62744	67020	29484	38980	26748	37688	25928	20234	65834	69294	77240	40086	41930	51288	34506	32016	53326	69966	60036	23534	70206	22596	76012	74718	63096	91352	72320	51259	34396	88468	60886	47778	88864	24252	30702	35824	0	0	0	35706	30854	0	72048	60846	50598	44166	33148	0	41482	31466	22006	80832	57914	29492	73816	14556	36270	44132	25666	25606	38022	73704	0	23004	30236	53064	63784	88620	71444	65338	0	48622	66726	0	55964	25730	49462	19830	43162	28304	65570	24232	32228	72310	61758	44168	81890	30788	28712	0	57128	47992	33546	33546	43608	73868	43860	78980	0	42978	32282	0	62162	26536	Lipid	0.39130434	1.4782609	0.0
22	C23 H34 O9	455.22757	455.22806	-0.11314707	455.2275	120786	129600	124774	128775	91737	106459	91906	171110	128237	243992	70352	68201	133433	62690	160263	103381	38757	180342	185374	226723	141855	149612	124587	153082	159225	40765	58754	70718	173760	145371	166076	170002	203650	134022	267977	165302	224863	119637	39104	129005	25397	78948	3352	0	0	106579	28571	0	151237	125263	136312	137940	94864	1094	234578	93093	59810	143567	174798	26317	140376	74257	151949	123584	57483	121438	104297	39937	31867	153743	40298	160148	137114	168830	54498	135537	0	138665	84838	37327	75154	48888	114963	62488	76354	77780	81851	63570	104190	46893	169906	221973	172880	50311	100335	0	116764	122681	66450	68413	64160	165808	106366	164247	61774	126805	69718	0	81944	175981	Lipid	0.39130434	1.4782609	0.0
10	C22 H34 O8 N2	455.2388	455.23947	-0.04193079	455.23877	5940	5793	5312	4183	1782	3013	6012	6337	2032	3982	0	2666	3433	2467	3739	8731	2459	1604	4320	6223	3040	7407	3181	9574	8357	0	3495	0	7113	7598	7884	9248	8641	7868	0	6460	12599	3711	4193	3289	1070	1456	0	0	0	4991	2527	0	9523	3838	5225	5905	2273	0	3245	1737	0	16018	2068	0	9147	0	1052	2613	1915	2867	3277	4729	0	2148	0	7304	5067	5506	3568	6137	0	4035	3983	0	2047	1077	2543	0	0	2016	5897	1652	3030	12356	21632	12334	16237	1695	4226	0	3322	6599	0	1376	781	9475	3494	9468	0	8326	1088	0	5341	3015	Lipid	0.36363637	1.5454545	0.09090909
16	C27 H34 O6	455.24283	455.24338	-0.11266882	455.24277	19549	27982	19563	23843	18468	6117	29691	21040	16268	10013	16528	19150	14547	10906	21778	27797	42965	11991	17246	17779	17992	14268	17257	21972	16172	22669	33092	17297	17496	24474	22692	29337	20505	14624	14623	24049	15117	20923	59512	11044	23476	9402	430	0	0	13312	15381	0	28284	22887	20417	26985	16973	0	17470	18890	16086	36865	15635	31595	19499	9707	14237	12783	14020	6710	13013	56043	21292	23490	27937	12809	13070	23846	40874	22072	0	18863	38686	13331	31393	13116	26055	13553	20925	15935	43129	9925	12117	67184	20360	20103	0	14642	15380	0	20600	22066	14951	25618	36529	27969	17667	20109	7990	30431	21508	0	29624	8570	Phytochemical	0.22222222	1.2592592	0.0
28	C27 H34 O6	455.24283	455.2433	-0.12001308	455.24277	36732	37415	32865	35181	46872	17102	26502	28395	35244	34068	39973	14980	43466	29697	19689	33375	28444	28253	45163	46802	44112	46413	24870	32571	28136	116652	28186	47718	29919	36756	26653	30753	39024	27462	45494	38729	36478	20105	30551	37548	43568	22958	2428	0	0	29754	22712	1580	30221	28349	36231	33202	32003	0	38328	41749	19169	38605	24056	18347	34838	23206	39427	30955	16778	45680	27860	32380	100058	87503	111514	22867	18405	30539	16744	24408	0	20668	44200	82717	27334	24461	26700	39111	49814	25149	51462	20934	22712	32968	28084	29959	37738	124043	50470	1486	34453	33690	27669	63501	68169	40034	17781	36299	21486	33220	33698	1401	23046	32957	Phytochemical	0.22222222	1.2592592	0.0
26	C27 H34 O6	455.24283	455.24338	-0.045859203	455.2428	194782	197861	195060	184022	238238	107219	89186	200063	191085	230468	284397	109933	212939	132669	145849	193978	160970	186987	271478	377080	347628	221219	144859	193179	160249	680460	93853	311341	177012	196276	167481	173239	202740	134327	320584	191352	211732	123794	146890	268261	248272	128566	0	0	0	191150	143989	0	175316	161201	213494	202774	172166	0	238000	210827	113007	184821	144059	110861	202273	161173	197242	157013	84012	189710	174185	164267	629866	572642	632796	137664	147854	168722	129229	155811	0	118592	195125	262427	145858	124807	138230	214951	247323	145297	228035	122292	134899	152337	161610	195611	254995	485106	249961	0	203055	221057	150451	263604	267616	242217	106242	215984	132328	150788	187377	0	146293	181825	Phytochemical	0.22222222	1.2592592	0.0
22	C27 H34 O6	455.24283	455.24335	-0.07836834	455.24277	361377	393365	338569	343442	455440	212543	247678	316222	347979	410512	465473	232886	270363	243562	278857	416774	404965	321762	399889	564646	528038	287551	298726	320414	260571	1061550	251820	415804	307127	296585	274769	336723	382231	251086	436661	319673	343829	284862	445260	359175	455759	225753	10918	0	423	256911	293148	2734	320440	298816	375036	364510	335561	1229	388705	336134	237845	352311	226065	275341	349355	246158	329803	304551	198949	296102	249855	462222	836504	942373	1221026	225315	240344	257008	317943	307402	319	225713	426785	396175	332462	206355	256127	285885	468856	296443	465616	253009	263612	412455	330733	354803	376329	541115	339706	0	333295	356318	304902	430003	386612	431096	230490	371494	181825	283179	376739	0	301066	329700	Phytochemical	0.22222222	1.2592592	0.0
20	C27 H34 O6	455.24283	455.24332	-0.107854985	455.24277	189539	204773	194050	188364	216906	107074	157628	164963	173816	186231	187479	140173	150523	125028	166691	250858	285743	144688	212566	239076	231719	152357	142288	181881	138184	390460	170958	179678	162228	165604	141351	156011	213626	120704	212919	171286	183725	146113	287402	152014	222498	125544	4719	595	0	124396	168465	1537	190139	155469	205094	197408	160635	712	194647	178895	131380	216988	131329	175345	173428	106322	182847	158233	113838	149509	122614	300970	295372	356520	499327	114558	131862	163115	245379	171497	305	134222	243457	150024	190878	92100	160327	162822	239692	155625	260791	124159	134117	280267	181105	168764	213252	135045	145523	1127	180318	199071	162191	231477	243383	248120	130582	205040	104541	173380	189333	622	189208	171072	Phytochemical	0.22222222	1.2592592	0.0
24	C27 H34 O6	455.24283	455.2433	-0.033608217	455.2428	442288	448300	405689	408806	493681	247777	222853	352626	379016	526281	607748	232677	388861	251445	298157	423505	354092	346818	547183	735470	679188	784459	315992	388725	273968	1409665	223840	573083	317869	325218	289644	349712	434253	284765	612609	370360	432125	251775	381043	502906	505492	228042	11324	0	0	351682	317126	2273	363906	318291	431367	403221	359449	0	413296	365441	224731	397163	266975	249470	388265	326435	393594	322606	192591	375909	278690	383055	1087130	1179491	1433937	270345	274818	298395	285123	325295	0	258319	440442	551427	331386	262379	267206	397702	483514	287737	441538	240110	285789	351038	342944	381211	433024	859114	962266	2604	411841	431549	306293	434545	450839	462268	214125	449663	252014	324955	396193	2207	296545	389759	Phytochemical	0.22222222	1.2592592	0.0
8	C21 H34 O7 N4	455.25003	455.25082	0.06545447	455.25006	4915	4650	5055	4465	0	1329	0	996	0	0	2384	0	807	0	625	1295	0	809	0	0	0	1520	758	3098	1283	0	905	12759	847	0	742	1013	0	1619	0	880	1637	717	1288	0	0	0	0	0	0	0	0	0	0	0	4408	5132	0	0	0	0	0	2610	0	0	0	0	0	0	0	0	656	0	0	0	0	979	929	1449	0	0	0	0	0	35422	0	0	0	0	0	0	1715	0	764	1471	405501	179690	4695	8587	1280	0	4545	3924	0	0	0	1322	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.6190476	0.1904762
10	C21 H34 O7 N4	455.25003	455.25046	0.10421425	455.25006	2739	0	2017	0	0	0	1544	0	0	0	0	0	0	0	1217	2217	0	0	0	0	0	0	0	1452	1079	0	2012	5019	0	0	0	0	1493	0	0	1313	1906	834	0	0	0	0	0	0	0	0	0	0	1335	0	1995	1607	0	0	0	0	0	2449	0	0	0	0	1067	0	0	0	0	1382	0	0	0	0	0	0	0	0	0	0	0	10374	0	0	0	0	0	0	0	0	0	1412	162141	46224	4632	2299	0	0	0	1301	0	0	0	0	0	0	0	0	0	0	1041	0	Peptide	0.33333334	1.6190476	0.1904762
4	C21 H34 O7 N4	455.25003	455.25092	0.1774051	455.2501	925	995	1251	1622	400	1832	498	0	0	0	0	328	318	0	739	899	0	0	861	0	0	0	637	0	1004	0	0	5857	0	492	629	1093	827	0	0	0	1024	308	0	0	0	0	0	0	0	0	0	0	0	0	1130	1551	0	0	858	260	0	784	0	0	1080	0	832	613	0	435	0	0	0	0	0	369	427	473	0	627	0	294	0	45450	409	0	0	0	0	507	768	0	0	817	93539	29294	1745	2811	0	0	1407	842	0	0	854	795	0	0	0	984	0	0	624	571	Peptide	0.33333334	1.6190476	0.1904762
6	C21 H34 O7 N4	455.25003	455.25073	0.021200849	455.25003	4939	4346	3970	5275	474	2244	0	1384	0	0	3032	492	965	0	1190	3021	1098	0	0	0	0	1162	637	1872	1973	0	652	25392	1414	0	917	816	1671	0	814	1092	1215	724	1763	0	0	935	0	0	0	0	0	0	0	0	6816	3359	849	0	886	0	0	2564	0	0	0	0	875	0	0	0	715	0	0	0	0	751	694	669	0	793	0	950	0	56975	0	0	0	0	2391	0	0	836	970	2808	409896	169032	3899	10475	2639	0	5945	5464	462	0	1124	1111	470	0	0	1245	407	0	1556	836	Peptide	0.33333334	1.6190476	0.1904762
26	C24 H38 O8	455.26395	455.26443	-0.070030056	455.26392	10657	10712	11108	11630	6981	6217	19374	11539	7081	10985	6387	6005	14477	9551	10375	9315	0	11780	23037	11366	6597	12171	6931	12611	12048	0	14584	9677	24030	13740	12428	17680	23216	13319	15063	12830	28322	8149	4676	5971	0	7572	0	0	0	7162	0	0	16518	9784	13611	11086	6531	0	27396	7114	3761	12488	21450	0	6476	7943	14236	8646	4189	16729	13723	3276	0	7995	0	10887	14551	12992	0	10181	0	8713	10759	6542	8641	6691	18074	6214	0	0	9588	5894	11737	5121	29415	29014	14713	4659	7492	0	9767	10719	3773	8254	6596	20712	4381	19486	21621	11538	5991	0	9629	9793	Lipid	0.33333334	1.5833334	0.0
24	C24 H38 O8	455.26395	455.2644	-0.15540187	455.2639	29023	27273	28604	27269	22846	21131	59195	36741	24077	29213	13585	11642	31654	20966	25042	22862	7294	38398	50910	27432	20684	23749	20945	23671	26949	8207	41953	30424	33477	21242	28641	38194	48610	29198	41250	33567	50076	22061	13040	17050	7284	18902	0	0	0	17633	3030	0	35854	21839	24446	30220	26403	0	50017	24669	15721	35945	35395	7076	29991	12249	31482	29711	16193	37953	38011	16290	3791	17388	5889	28335	33771	33499	9473	25143	0	21864	20622	12788	13008	10383	56942	32245	25492	15644	22690	17753	22418	13045	57428	56654	46064	14838	19889	0	25213	29393	14316	21718	14032	37755	12968	33958	28902	30150	20116	0	17754	31453	Lipid	0.33333334	1.5833334	0.0
20	C24 H38 O8	455.26395	455.26443	-0.16206758	455.2639	10900	18345	14840	14692	9779	12249	46984	19535	7838	3119	5657	10821	12868	10333	12030	18355	25666	14291	23424	11218	3912	7907	6997	13484	13866	5894	28601	11381	22969	21456	17243	25062	21905	18639	2878	20359	24695	11378	19489	3029	4881	13314	1104	0	0	7585	3791	0	23092	13195	14255	15624	13656	0	21272	9303	7640	24024	12355	6301	17475	2602	16793	13418	12355	11859	12695	25125	2940	2898	1916	12414	19415	23205	23036	18105	0	13425	14123	8231	8615	2574	55612	30822	19244	15666	21389	10186	17966	13498	20066	16655	18897	3880	7722	0	15788	19460	6784	16183	18852	28100	11129	14697	5486	10610	13387	0	13078	12757	Lipid	0.33333334	1.5833334	0.0
26	C28 H38 O5	455.2792	455.27975	-0.07729915	455.27917	237523	228080	247238	223366	372322	137011	178584	243666	287174	174003	311777	147790	224487	189774	197648	274482	306148	192513	363876	277479	249083	179300	181948	218943	231156	657092	191657	348382	272490	314182	217526	252673	308673	182371	221353	334820	271398	185642	315130	208791	252193	185978	4709	0	0	163615	161810	0	239538	253665	254412	236403	264970	0	363300	313756	170403	244478	175229	160210	264092	143400	232397	241043	127676	211140	234485	358086	474885	359771	459808	140394	194738	317845	242508	265646	0	173776	272511	259339	196155	148219	208344	234688	448736	249182	336546	168480	189152	245928	185056	213964	234175	211117	178613	0	240032	268172	233778	472811	494085	418466	142919	276604	155280	198224	390192	0	213095	187349	Lipid	0.17857143	1.3571428	0.0
18	C28 H38 O5	455.2792	455.27975	-0.11104414	455.27914	9254	7743	4533	6783	6454	2381	11833	7421	8472	0	2641	4327	3377	4831	6226	8054	25604	3429	5976	0	2803	2799	6029	5377	7920	3994	14932	5448	9289	7880	8483	6416	12691	0	0	8098	5742	8155	31237	0	4808	5577	339	0	0	2930	1365	0	8582	6546	7009	6776	7265	0	7302	7287	6578	10463	6006	7687	8853	1297	6705	4500	7900	4662	5868	34228	2527	3413	6476	3160	5079	9097	19642	12896	0	4955	15807	6992	9324	4166	6228	2089	20803	12973	16766	2103	5608	24489	10740	4906	8323	1960	1458	0	7453	8022	10246	21666	25337	11174	5843	4755	1311	3352	12395	0	9582	3394	Lipid	0.17857143	1.3571428	0.0
28	C28 H38 O5	455.2792	455.2797	-0.09856149	455.27914	59466	55857	54429	56591	90565	27948	59756	63802	67991	34916	67532	30054	58496	43512	39457	59468	68658	44059	98955	56613	48285	47373	45137	50207	67163	140118	58151	73691	71942	77924	57877	59328	90836	47264	52168	81315	69137	46804	68078	45802	49035	46945	1379	0	0	41427	31321	0	55183	60197	60365	53469	65225	0	93620	79868	37014	67878	49545	30674	66098	34169	50959	61346	37940	68421	55937	80813	110564	71423	84024	35313	43422	74710	39847	64992	0	37804	85401	65719	49730	37295	52014	55175	127754	54809	110254	35902	41472	66162	45774	55836	61683	60661	37658	0	56165	58213	58535	149582	164467	101589	34283	75922	39565	59765	105486	1195	55680	45175	Lipid	0.17857143	1.3571428	0.0
24	C28 H38 O5	455.2792	455.2797	-0.078214064	455.27917	238000	262131	247865	242057	383265	149325	222779	246503	265498	186366	272133	173547	203969	187974	192218	319883	426107	201344	359755	228768	245370	154119	178790	207647	195772	479350	213225	268801	243290	299724	210972	272123	288788	182423	212199	300877	262157	201157	437388	183362	257965	156800	7556	0	0	132528	182533	1914	246636	243133	248074	246763	272655	0	336809	291856	188442	278927	147112	202025	269682	132049	212887	247524	158239	214734	213654	435136	335741	320728	459808	138928	190543	274660	305376	282188	0	167463	313353	203175	232139	128584	201703	178688	462366	252460	362323	187549	221238	335995	221740	200425	227423	192486	190954	0	244288	250856	242894	427326	465307	377288	160236	270716	116901	217895	400552	0	242057	200098	Lipid	0.17857143	1.3571428	0.0
20	C28 H38 O5	455.2792	455.2797	-0.16579583	455.2791	41051	42248	39026	35063	41251	19676	51005	37914	39087	19031	29954	38279	25574	27275	38491	57810	102662	23396	44876	17016	17900	22324	25024	35110	35738	28876	53445	22237	36993	46528	31772	41988	40741	21751	20440	39016	35768	37187	108613	12814	31016	25275	766	0	0	17071	21851	0	40342	34709	32918	41708	36628	0	49188	49359	28214	49998	22792	40528	35625	12494	37962	34126	36481	31385	32259	111894	19535	24074	33904	19204	21858	45583	89695	43726	0	26287	65610	30660	38695	14469	34495	18449	71731	45063	69025	26127	29397	88276	36965	33545	32638	20437	19540	0	36375	40689	39410	88781	91322	54099	28885	36874	12749	36264	67727	0	40899	31364	Lipid	0.17857143	1.3571428	0.0
16	C21 H42 O10	455.28506	455.2855	-0.08021084	455.28503	3937	6778	3747	3818	0	0	0	1617	0	7441	2334	0	0	0	0	3363	0	0	0	2771	0	0	0	1540	0	0	0	0	1450	0	7064	26551	3361	2098	1634	0	3856	981	0	4729	0	0	1783	0	0	4399	8043	453	14100	2597	1768	5019	0	282	0	0	0	5402	13062	0	0	0	0	12770	0	0	0	0	0	13678	0	3831	7278	1290	0	8315	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27054	3491	0	0	1960	609	4983	0	0	0	0	0	1885	196583	24902	0	0	334	0	0	Lipid	0.47619048	2.0	0.0
10	C22 H38 O6 N4	455.2864	455.28653	-0.20831558	455.28632	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2169	1025	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1637	0	0	0	22494	4050	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.7272727	0.18181819
26	C25 H42 O7	455.30032	455.30057	-0.22600378	455.30023	4848	4021	5861	4396	3551	0	78574	0	2083	1588	5424	0	3752	11702	0	0	0	0	4692	0	0	0	0	0	0	0	54624	14909	6137	7193	4461	6986	6476	4483	3737	5913	6920	0	3236	2161	0	0	0	0	0	0	0	0	9062	0	6043	6035	2813	0	4613	0	0	7467	12111	4446	0	3551	3623	0	9485	9323	13574	4314	0	2075	2842	3036	6678	0	0	7990	0	0	0	10248	0	3808	20835	14602	0	0	5269	0	4120	2317	29689	17723	0	2858	0	0	6851	5769	0	0	0	6528	0	7705	22314	2416	0	0	2811	2125	Lipid	0.28	1.68	0.0
22	C25 H42 O7	455.30032	455.3006	-0.11358239	455.3003	2622	0	2203	1840	0	0	26626	0	0	0	0	0	0	0	1320	0	2104	0	0	0	0	0	0	0	0	3010	20604	1617	2485	0	0	0	2234	1175	0	0	2978	0	5623	0	0	0	0	0	0	0	0	0	2912	0	1848	1247	1456	0	0	0	0	0	0	0	0	0	0	0	1448	1823	3913	4691	0	0	0	1203	0	2699	1865	2490	0	1041	0	2120	0	0	22768	19391	0	0	2273	0	1219	3129	4509	0	0	0	0	0	2051	0	0	0	2586	2855	0	0	0	1938	0	0	0	0	Lipid	0.28	1.68	0.0
24	C25 H42 O7	455.30032	455.3007	-0.2440047	455.30023	3644	4870	5194	4494	2655	1900	81940	2581	0	1203	1775	1433	3517	11046	1710	3922	5638	1732	0	0	0	1854	0	0	2888	6781	69346	6002	5053	1962	2056	4417	5234	2727	0	5362	4081	1325	3312	0	0	1290	0	0	0	0	0	0	5119	2581	4768	3845	4821	0	1911	2534	1310	3672	1698	3453	4657	0	3301	0	6740	7370	9970	5359	0	0	1772	1049	2112	3625	2664	3385	0	1399	1884	4085	980	2696	34031	30870	1804	0	3028	3552	3372	6226	16694	9094	2822	0	0	0	5201	3340	0	0	2375	3907	811	3944	7172	3280	1443	0	4564	1786	Lipid	0.28	1.68	0.0
22	C29 H42 O4	455.31558	455.31604	-0.18193004	455.3155	12309	19443	19420	17563	9854	8994	34520	19481	13630	0	3925	23780	3850	20140	20300	39642	98078	7010	12670	0	2340	3024	9696	8006	23839	0	34710	3453	21824	39561	24588	22383	20896	9899	1540	31425	19276	26808	109895	1748	6704	10871	0	0	0	1680	3403	0	24327	29321	23459	19726	11221	0	13024	14987	18935	29370	4501	17838	22550	1659	6692	8625	22936	2281	14435	126126	2061	0	2011	6270	9668	29934	67389	33869	0	16003	35436	11692	19271	3686	9391	4057	24149	23686	58612	10533	14866	107927	8109	9744	15932	5360	3459	0	17212	12689	16295	29873	37148	33235	18930	11772	4065	18438	25583	0	31307	4617	Lipid	0.13793103	1.4482758	0.0
20	C29 H42 O4	455.31558	455.31604	-0.005782305	455.31558	3640	1696	1903	3378	2227	0	8164	0	2041	0	0	3977	0	4192	2847	4372	30397	0	0	0	0	0	1511	0	2809	0	6842	0	5960	5068	4841	5391	2130	1716	0	4634	3488	4402	25179	0	0	0	0	0	0	0	0	0	3422	3253	2157	1788	1493	0	0	2232	1483	2616	0	2545	2173	0	0	0	4386	1645	2144	26331	0	0	0	0	1296	3380	17825	2196	0	1450	5275	1553	2628	0	1073	0	2535	3672	8731	2157	1142	24842	0	0	2276	0	0	0	2327	0	2447	8921	4967	3996	2877	1748	0	2246	3736	0	6410	0	Lipid	0.13793103	1.4482758	0.0
12	C23 H42 O5 N4	455.32278	455.32303	-0.10492072	455.32275	0	2937	1868	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3602	0	0	27470	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	442525	0	0	0	0	0	0	0	0	0	0	129245	25597	0	21370	1221	0	0	0	0	0	0	0	0	0	0	0	0	0	2275	0	Peptide	0.2173913	1.826087	0.17391305
14	C23 H42 O5 N4	455.32278	455.32312	-0.12772791	455.32275	2417	0	1665	0	0	2904	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3345	0	0	31909	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2145	2442	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	73494	0	0	0	0	0	0	0	0	0	9592	260567	49786	0	12593	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1650	0	Peptide	0.2173913	1.826087	0.17391305
28	C26 H46 O6	455.33673	455.33655	-0.25261673	455.3366	1004	0	0	0	0	0	28426	0	0	0	2388	0	0	2415	0	0	0	0	0	0	0	0	0	0	0	0	16443	2785	0	0	0	0	0	0	0	0	0	981	0	883	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1621	0	0	0	0	0	1279	0	0	0	0	0	0	0	0	0	0	0	0	1067	0	0	0	0	1095	1809	0	0	1001	0	0	0	3335	2567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23076923	1.7692307	0.0
26	C26 H46 O6	455.33673	455.33646	-0.079900056	455.33667	0	0	0	0	0	0	69655	0	0	0	0	0	0	7753	0	0	0	0	0	0	0	0	0	0	0	0	53530	3985	0	0	0	0	0	0	0	0	0	0	2747	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7100	0	0	2119	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5776	5537	0	0	0	0	0	0	5113	3316	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23076923	1.7692307	0.0
14	C25 H46 O5 N2	455.34796	455.34848	-0.2481328	455.34784	13725	24234	11745	17712	66641	14046	0	0	0	0	0	0	21660	35721	0	7872	0	7734	8049	0	0	0	0	9219	0	353693	0	0	0	21885	4842	0	0	0	0	0	5877	40386	0	0	0	22854	0	0	0	0	0	0	8859	0	20247	11382	15135	0	0	21189	48188	14109	0	0	0	16980	0	56349	363744	13926	32787	0	162147	143553	224436	0	0	0	0	0	0	0	0	0	0	0	0	0	61241	1729455	0	103659	18327	0	0	0	0	0	0	0	14118	19527	15243	34383	383820	0	0	15525	0	0	237824	0	0	0	Lipid	0.2	1.84	0.08
24	C30 H46 O3	455.35196	455.35233	-0.13609725	455.3519	6037	4412	5508	4906	1774	1612	15601	6537	1895	0	2004	11403	0	2352	8829	12751	63704	0	0	0	0	0	4464	0	15434	0	20080	1144	3645	17035	5009	4002	2965	0	0	11263	3262	14543	62810	0	0	2202	0	0	0	0	0	0	5144	14918	6475	4362	1099	0	1718	2936	6978	4894	0	1929	3700	0	0	0	7316	0	3017	70619	0	0	0	1289	2417	16586	20849	10800	0	6775	31183	2219	11642	750	1836	0	4517	11454	36347	1889	3091	55283	0	1260	3929	0	0	0	5197	4647	4015	4461	6154	13291	9509	0	0	4792	3839	0	18454	0	Lipid	0.1	1.5333333	0.0
22	C30 H46 O3	455.35196	455.35226	-0.2134518	455.35187	0	0	1318	0	0	0	4087	0	0	0	0	1557	0	0	1459	0	20757	0	0	0	0	0	0	0	0	0	3000	0	0	2151	1156	0	0	0	0	1216	0	2267	11938	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1118	0	0	0	0	0	0	0	1416	0	0	26759	0	0	0	0	0	0	2715	1985	0	0	3100	1295	2412	0	0	0	0	0	2230	0	0	8880	0	0	0	0	0	0	0	0	0	0	0	2171	1298	0	0	0	1146	0	1757	0	Lipid	0.1	1.5333333	0.0
28	C30 H46 O3	455.35196	455.35236	-0.19524525	455.35187	8124	8033	6794	5935	3747	5158	24142	14767	5255	0	2488	13197	0	3718	13244	11944	34963	0	3190	0	0	2453	10176	2885	36884	0	19892	4236	13219	28812	12117	12766	10553	4363	0	25527	6270	23135	29423	0	0	5521	0	0	0	0	0	0	8589	24229	8512	8155	5069	0	3295	5748	8496	11694	2554	1796	10276	0	0	2604	8060	2127	7171	37907	0	0	0	1634	3966	34732	12298	18758	0	11190	45481	8365	12405	2773	3226	1652	19017	17147	94090	2894	3781	37288	4979	3178	9273	2379	0	0	8152	5109	7944	20722	22595	19440	11998	3046	0	9097	13439	0	26845	932	Lipid	0.1	1.5333333	0.0
16	C18 H17 O13 N1	456.07727	456.07794	0.034955576	456.07727	4400	4394	3149	4775	18677	6795	0	0	17326	0	3576	2257	39102	6271	1295	0	3726	20321	15003	0	7551	13225	4193	0	0	0	0	0	0	0	1400	0	0	0	3744	0	1650	2030	0	0	4428	3716	625	0	0	2665	8916	437	0	0	3759	4440	6523	0	17281	29138	8872	0	1562	3400	0	3626	35767	18101	5381	20775	7230	3046	0	0	0	0	0	0	0	0	0	1436	2424	12089	1588	4259	0	1408	26136	4356	2913	5530	4229	0	0	0	0	16293	6852	0	3905	2074	15335	20460	23942	2408	2079	0	6643	0	14699	0	0	33909	Phytochemical	0.7222222	0.9444444	0.055555556
14	C18 H17 O13 N1	456.07727	456.07803	0.1448161	456.07733	0	7231	4534	3931	15720	6646	0	0	20041	0	3919	3565	29408	5541	1356	0	0	16977	14980	3853	5249	11576	3278	0	0	0	0	0	0	0	0	0	2133	0	2102	0	0	0	1190	1223	6443	6399	0	0	0	3543	12819	0	0	0	4273	0	8399	0	16729	17972	5928	1765	0	0	0	4735	32494	18138	7268	17962	5694	0	0	0	0	0	1149	0	0	0	0	1359	2701	0	2654	3339	1109	869	21019	2476	1285	7051	5886	0	0	0	0	25929	5169	0	2934	3610	12183	23936	22067	0	1788	0	0	1540	12497	0	0	27170	Phytochemical	0.7222222	0.9444444	0.055555556
12	C18 H17 O13 N1	456.07727	456.07806	0.10060889	456.0773	3890	2546	3522	4075	10837	3151	0	0	12312	2111	3203	1722	19002	0	0	0	0	7740	10174	0	3825	4057	2630	0	0	0	0	0	0	0	0	0	1769	0	0	0	0	1508	0	2064	0	4941	0	0	0	1723	0	0	0	0	2385	2836	4540	0	10809	15688	4286	0	0	0	0	0	28138	13430	4172	11691	3172	0	0	0	0	0	0	0	0	0	0	1565	1538	0	1531	0	0	0	16651	2245	0	4999	3365	0	0	0	0	16082	2578	0	3643	4172	14685	12641	16635	0	0	0	0	0	9129	0	0	24466	Phytochemical	0.7222222	0.9444444	0.055555556
20	C18 H17 O13 N1	456.07727	456.07803	0.10654352	456.0773	2487	4482	3833	2171	11487	5255	0	0	14729	1913	1534	1399	22967	1958	1997	0	0	10013	10257	2093	0	3819	3743	0	0	0	0	0	0	0	0	0	0	0	1833	0	0	0	0	1542	1744	3175	0	0	336	3722	10943	1163	0	0	2215	2446	6443	0	13276	14584	3192	0	0	1547	0	1529	16815	12777	3323	10289	3551	0	1373	1484	0	0	0	1307	0	0	271	1227	0	7994	1303	0	0	0	13347	5256	0	3297	1669	0	0	3019	0	9458	4727	0	2090	5365	9697	9981	12631	1967	1314	0	5726	0	7962	0	0	20231	Phytochemical	0.7222222	0.9444444	0.055555556
24	C22 H17 O10 N1	456.09253	456.09305	-0.031943534	456.0925	6192	5803	4933	3360	6666	5391	2649	0	6653	22215	7299	1405	9576	4692	5881	3392	8570	12145	9152	8949	17921	23989	2160	2241	2249	1834	1320	1722	0	2023	1180	0	2720	969	23159	0	0	5939	6465	7985	10043	3162	0	0	0	10187	19175	0	0	0	7310	3506	4469	0	12783	6982	4198	1850	1614	1597	2937	8073	11858	8978	2277	8468	5507	0	7042	5705	10962	0	1313	0	1342	0	0	0	5867	19341	5962	9714	1477	5737	10337	3870	3572	3109	3887	4022	2523	2652	4596	28455	38011	0	7079	5410	2539	7039	8789	1655	979	0	8328	4017	4838	0	1764	17448	Phytochemical	0.45454547	0.77272725	0.045454547
22	C22 H17 O10 N1	456.09253	456.09308	-0.02958222	456.0925	10554	11895	9451	13034	8587	7820	1416	2758	15932	33429	10315	1013	15506	6765	1648	5671	1644	22167	13962	13892	22117	36680	3471	5434	4231	5188	1803	5476	1546	1112	2251	0	2849	1197	32581	1206	5785	3121	0	22906	20830	4783	0	0	0	18730	27719	0	1248	0	14210	9132	6868	0	14381	12129	5778	2935	1722	3040	3751	16832	20728	16122	5953	10818	6194	3247	7890	12145	17242	0	0	0	2224	0	0	0	10504	28052	5143	17408	1724	10153	13890	7401	6950	6059	4972	5850	6104	9029	5935	45789	52230	0	10581	10981	11778	9672	10791	4246	2819	3850	17457	3876	9565	0	4427	21888	Phytochemical	0.45454547	0.77272725	0.045454547
16	C22 H17 O10 N1	456.09253	456.0931	0.023739249	456.09253	14117	16367	11870	12165	16901	4412	2733	0	17630	59980	24565	2393	30365	7136	4824	4460	3740	18841	17382	25166	36456	42290	7433	2466	1537	18153	2826	10479	1915	0	0	0	4736	0	74981	1442	4213	2138	2663	29795	37637	2577	393	0	0	23546	32196	0	2084	0	10959	11446	11512	0	16244	15235	8021	4871	0	3510	0	22732	30053	16255	5343	18218	6287	3677	27643	29519	40548	2340	0	0	0	1744	0	1709	10058	28765	6830	19502	2687	14592	20369	9151	13049	7492	5898	0	7579	8120	0	53882	49645	0	15613	15014	17193	16686	17287	2125	2476	4428	21489	0	12845	0	4236	29405	Phytochemical	0.45454547	0.77272725	0.045454547
20	C22 H17 O10 N1	456.09253	456.09308	-0.043250438	456.0925	25696	25841	27471	16961	33968	21712	4434	2309	31684	104174	36875	6517	50158	11853	8441	9770	7411	46965	42906	60625	64534	102335	9732	17765	8268	29447	4714	21298	7926	1991	0	4620	12039	4929	107793	0	6626	7530	7616	56088	49792	19652	0	0	0	47827	67312	538	1952	0	26077	32860	29626	377	36709	28807	18741	11597	9575	11144	13562	41024	49005	36056	10570	36857	18506	9204	38050	40670	55495	1632	1331	0	8040	2067	0	2298	16415	63545	11817	41710	4024	19541	36520	22010	20213	14343	12990	15115	22354	31841	14955	102168	109099	0	30900	34450	23614	34760	32505	12989	7465	15806	48335	15481	35133	0	8068	49445	Phytochemical	0.45454547	0.77272725	0.045454547
26	C22 H17 O10 N1	456.09253	456.09302	-0.14260173	456.09247	5545	6539	4291	3124	4805	4412	0	0	5804	17805	4038	0	8009	0	0	0	0	8500	7293	6149	12759	20601	0	0	0	0	0	2023	0	0	0	0	1477	0	16061	0	1522	0	0	7660	11179	0	0	0	0	11524	14029	0	0	0	3051	6621	3969	0	5353	0	0	0	0	0	0	4691	12435	5970	0	8119	3897	0	0	4411	7146	0	0	0	0	0	0	0	4072	12155	3054	8333	0	5863	5271	0	4898	3252	2637	2709	0	2695	0	22422	35541	0	5723	0	0	4119	5041	0	0	0	0	1525	0	0	0	13014	Phytochemical	0.45454547	0.77272725	0.045454547
12	C22 H17 O10 N1	456.09253	456.09317	-0.04018239	456.0925	5175	2712	4216	2820	8005	1328	0	0	7966	14075	9996	0	9728	2535	1010	0	0	4304	3494	9041	18975	19631	1553	0	0	7200	0	0	0	0	0	0	2172	0	29901	0	1598	0	0	9159	13284	1046	0	0	0	5126	13825	0	0	0	5730	5323	3348	0	9030	6028	2387	1538	0	0	0	12232	11346	5977	2255	5898	1683	0	0	14022	20179	1432	0	0	0	0	0	0	2536	0	3203	9106	0	3072	8787	4244	2822	2191	1660	0	2429	1994	3227	18089	10046	0	3929	0	5497	7831	9905	1686	997	0	0	1660	6329	0	1247	8469	Phytochemical	0.45454547	0.77272725	0.045454547
18	C22 H17 O10 N1	456.09253	456.0931	0.028541485	456.09253	13513	15725	16475	17994	16125	9559	2098	2912	17104	53975	30607	4346	26526	10218	2868	5883	3605	17733	17096	30872	43798	45512	6353	7252	3161	14244	4351	15025	0	1883	2344	0	4125	0	80869	2792	2949	3584	4156	32016	32877	6089	683	0	0	33738	42178	403	2713	1334	16683	20240	11433	0	24503	16475	7390	6569	3592	5444	4217	23254	36434	21318	7185	17534	9810	3864	27460	26705	37458	2183	0	0	2621	0	0	3052	10562	41590	6467	24766	4611	17751	21885	8937	9870	8238	7579	10206	6758	10772	12640	54687	62302	0	17385	11433	18731	19705	18878	0	2335	6553	18964	3100	12954	0	4111	23768	Phytochemical	0.45454547	0.77272725	0.045454547
14	C22 H17 O10 N1	456.09253	456.09314	-0.030293245	456.0925	8996	10946	6863	8881	10789	3837	0	1414	14336	32732	27480	3002	22183	5134	0	2679	1792	8528	12973	19178	27911	31348	3623	0	1356	13158	1232	8159	2763	0	0	0	4627	0	57261	0	2711	1244	1545	14268	28729	1651	0	0	0	12658	32352	0	1756	0	8407	6833	7369	0	14964	12113	3710	2792	0	0	0	13800	20773	10598	2726	12331	3358	2273	30203	25105	33023	0	0	0	0	0	0	1314	5563	19573	3161	14912	1885	12813	13843	4593	4336	3736	2640	0	3900	3435	4586	28371	29669	0	9878	6856	12743	16300	13379	0	0	0	0	2632	8212	0	2253	16415	Phytochemical	0.45454547	0.77272725	0.045454547
28	C22 H17 O10 N1	456.09253	456.093	-0.057557646	456.0925	6342	5759	4245	3618	5207	3084	1860	0	5223	16582	4732	0	7073	3405	2672	0	0	7251	6737	3958	10031	16144	0	2292	0	0	1183	1740	0	0	1216	0	1652	0	14828	0	1493	0	1771	5973	7432	2366	0	0	0	7335	9406	0	0	0	4067	4260	4226	0	6482	2952	2124	998	1641	1378	2456	6106	9513	6042	1909	4247	2647	1659	2611	6162	6542	0	0	0	0	928	0	0	2806	13634	3175	5269	1578	2814	6351	4024	4424	1655	2097	2395	1991	2909	2886	14622	28738	0	5467	4454	3097	2890	3240	2335	0	0	4988	1486	4080	0	1206	10723	Phytochemical	0.45454547	0.77272725	0.045454547
16	C19 H21 O10 N1 S1	456.0959	456.0966	0.1542825	456.09598	5497	5489	7277	5760	5014	2219	2572	2016	5383	21836	10838	1615	11417	1357	2073	4176	0	9108	5817	7806	21555	25130	4265	2839	2656	4330	1526	6076	2056	1490	3054	0	4330	1795	25915	0	0	2201	1372	14221	17806	2031	0	0	0	8084	7801	0	1656	0	6761	9247	3666	0	10552	3317	2333	4198	4357	3091	0	14052	7255	6239	2750	6180	5237	4063	6427	9318	6746	0	1724	0	0	0	0	0	2561	13387	2621	6173	4297	9174	6783	3433	4192	3091	4288	0	4816	15390	0	18868	27140	0	3615	7314	4531	4382	3892	4179	1204	6091	7316	0	6503	0	4037	13985	Organosulfur	0.5263158	1.1052631	0.05263158
8	C18 H21 O9 N3 S1	456.10712	456.10806	0.2934563	456.10727	44158	54710	32980	50776	48230	24120	14220	29722	65555	62422	67276	35032	119148	15914	19848	31700	47956	70831	80702	61350	95478	78854	40564	40217	5296	7576	14326	9152	12416	20727	21690	25162	25982	23496	84098	21600	34726	22747	43452	43722	98756	43646	0	0	0	58124	117782	0	22343	28708	46112	46694	31715	0	79134	68052	32062	23198	19746	39610	29326	42770	132873	85587	42340	60110	33163	47071	35312	12328	35932	24940	21222	19454	32427	22574	0	19148	32284	40834	26677	33175	10838	12488	83678	35630	26655	42718	34614	51977	0	17242	38911	80913	77982	0	50925	63086	74434	64148	82328	41215	26862	25330	46668	33996	69658	0	13744	106886	Peptide	0.5	1.1666666	0.16666667
8	C19 H21 O12 N1	456.11365	456.1144	-0.005035078	456.11365	22079	27355	15575	24864	23702	11509	7110	14051	32235	31211	33638	17516	58883	7957	9924	15850	23978	34924	39833	30675	47739	39427	20282	19647	2648	3788	6856	4576	6208	9908	10373	12581	12209	11748	42049	10800	16761	10869	21726	21861	48828	21409	0	0	0	29062	58891	0	10496	14354	23056	22594	15476	0	38846	34026	16031	11599	9873	19429	14663	20812	65882	42443	21170	29605	15981	22778	17656	6164	17966	12470	10611	9727	15757	11287	0	9574	16142	20417	12733	16177	4867	6244	41839	17815	12867	21359	17307	25172	0	8621	18404	39602	38991	0	24528	30799	37217	31774	41164	20113	13431	12665	23334	16335	34829	0	6565	53443	Phytochemical	0.6315789	1.1052631	0.05263158
26	C19 H21 O12 N1	456.11365	456.11423	-0.014521809	456.11365	5530	5487	6059	5754	7511	10056	0	0	8438	8157	4708	3699	15114	0	0	0	0	16680	7994	12481	18891	8580	0	0	0	0	0	0	0	0	0	0	3434	2165	12155	0	1827	0	4158	7519	9785	0	0	0	0	22937	42106	0	0	0	4581	5639	5116	0	7205	7382	0	2059	2712	0	0	9700	13025	7429	3673	5899	3182	2655	8974	5760	9762	0	0	0	0	0	0	3439	0	0	2473	17701	0	0	6921	0	1582	0	2682	1944	0	1453	0	5127	8197	0	6573	6149	8814	5011	0	0	3467	0	23806	2002	6174	0	0	15887	Phytochemical	0.6315789	1.1052631	0.05263158
6	C19 H21 O12 N1	456.11365	456.1145	0.1256328	456.1137	5436	7060	6123	5014	8175	3906	2055	3424	12024	7075	8451	4433	17961	1915	2108	4027	6045	11780	14479	7773	11340	9981	4791	6792	796	848	1914	0	2252	1519	3508	1582	2998	1836	11324	2609	2470	2715	4996	5541	11590	5083	0	0	0	5915	12166	0	2274	4666	5579	7189	5411	0	13746	11985	4706	3055	2579	4304	3535	4896	24119	14064	5133	10988	5247	5086	3636	0	4955	2651	2319	1360	2713	2872	0	2531	3162	0	2355	3299	1206	1288	13964	6709	3943	6957	4132	6210	0	2090	6173	7227	6699	0	5168	6662	8420	12156	14193	5443	2618	4849	9025	4962	9758	0	1425	21679	Phytochemical	0.6315789	1.1052631	0.05263158
24	C19 H21 O12 N1	456.11365	456.1142	-0.003250692	456.11365	7926	4587	6149	5466	9785	8376	1589	3384	12020	10634	3881	4309	18667	2882	5737	1579	2492	11537	10519	10570	13855	6413	4232	3741	1700	0	1566	1749	2253	1661	2287	1359	2860	1636	8582	2610	1381	2549	2922	9147	10232	2898	0	0	0	21544	50596	0	1675	3052	5619	4279	6093	0	9407	10045	3945	2774	4278	3519	1356	12712	11097	11411	4880	8900	4567	2382	7028	4600	7015	2150	0	2494	1929	1872	0	4023	1791	8557	2790	19170	0	1131	17014	3723	2310	4065	4771	0	0	3232	3403	9004	12062	0	4330	6975	10728	5976	5233	3297	2546	3579	30717	2668	8810	0	2029	20182	Phytochemical	0.6315789	1.1052631	0.05263158
16	C19 H21 O12 N1	456.11365	456.11426	-0.001055973	456.11365	69287	59963	66713	63717	88814	75030	22679	49647	114508	67217	56544	37698	204213	43743	50675	46486	36627	176885	148967	96457	133355	124134	66464	41934	22717	12422	19836	19003	31962	33487	32094	27871	46566	27965	89831	34673	47178	40440	33953	64990	98318	63080	4409	346	486	131669	239320	911	32350	38531	66935	56606	71424	526	148857	109292	52766	29704	39894	33462	46492	86472	156085	112819	48983	116616	55711	36393	62083	23543	62344	35236	31994	29692	36133	26245	947	39271	43969	109947	40458	118106	14473	18478	120143	59641	36453	44599	57385	28662	13707	47297	61417	124981	102635	1102	54495	81489	95226	69750	95390	57307	38728	37972	164268	63847	106361	505	20035	153587	Phytochemical	0.6315789	1.1052631	0.05263158
14	C19 H21 O12 N1	456.11365	456.11432	0.022335337	456.11365	82747	80159	79953	79186	112127	75105	32181	52283	139187	83724	81484	50912	222947	45348	60323	49295	61738	165558	157425	125758	192984	173227	81421	52068	20918	13947	23969	29116	37846	35176	38801	47505	61730	28152	149213	43454	55344	44960	37476	69123	136389	73814	3554	362	375	137153	293278	722	33244	51071	76021	78202	83386	354	170175	122003	53925	39988	61427	61273	71402	117065	187836	154813	55221	118774	71135	43440	85601	22819	62369	41639	42284	40728	45057	33337	402	47689	54726	121663	45983	118531	20786	19884	145102	74454	47733	65988	63272	40527	16327	43128	76682	145184	124193	797	76047	87514	114624	100533	121832	71687	46006	62196	262847	57229	116424	0	22370	166772	Phytochemical	0.6315789	1.1052631	0.05263158
28	C19 H21 O12 N1	456.11365	456.1142	-0.030832695	456.11365	8390	8207	6897	8589	10807	9398	0	2263	9771	12748	6131	3503	14374	4400	2961	3651	2504	17564	9115	18048	21928	9383	6444	3524	0	3401	1187	2310	0	2954	2524	1229	3578	1759	13877	3003	3141	3616	1732	8517	13329	4704	0	0	0	22247	46514	0	1874	0	8394	9212	7949	0	10922	6287	5309	2495	2542	2549	2462	13150	14294	7659	4729	8345	3706	2646	11057	9483	15350	3457	0	3305	5063	1786	0	3681	2575	4700	3066	15517	0	4983	12198	5324	1567	3864	3293	2975	963	2182	3016	5735	8410	0	8076	8130	9010	4671	5476	1939	2378	2649	26653	2414	7888	0	0	15025	Phytochemical	0.6315789	1.1052631	0.05263158
6	C18 H21 O11 N3	456.12488	456.12573	0.10784794	456.12494	12395	16330	12892	14705	13886	6546	4015	5796	21326	11706	11715	10190	27163	2238	6249	8301	11052	15985	18576	15729	22969	21509	8643	12558	1860	5982	2835	6254	4599	5412	4356	4554	14460	3324	26312	4350	11644	6681	10098	10812	25071	8799	0	0	0	6495	21833	0	8334	9309	9602	13848	13158	0	23292	12719	10529	11771	3345	7872	3942	8226	39484	19746	9999	18642	9633	18564	7298	11920	15310	6363	0	3756	5925	4105	0	4419	9290	5708	8076	8345	1419	2136	18266	4659	7249	16791	11745	22699	0	5724	16449	22396	13400	0	12374	12233	10190	16649	18160	13932	6489	7059	0	14481	10548	0	2289	40938	Unclassified	0.6111111	1.1666666	0.16666667
22	C23 H21 O9 N1	456.1289	456.12946	-6.90754E-4	456.1289	14572	12541	14349	13190	14240	9584	2159	3582	18741	70123	34264	0	17042	10365	4348	3711	2529	22472	17320	33819	38563	44167	6567	6157	5049	35296	1972	24027	2490	1827	3177	0	7492	2376	72312	2002	5466	3928	4218	32484	42928	5947	0	0	0	34007	47707	0	3380	3897	17520	15516	10981	0	21313	12422	4999	7182	6712	5066	6040	27873	27602	18526	7625	21512	11020	5639	40058	57666	58443	1536	1941	1810	2940	1892	0	2762	13843	28796	7562	28134	4804	23666	19686	8257	12018	10495	7630	8349	7902	14041	7826	49651	58396	0	14273	14576	15062	14063	9309	4670	4093	6709	27836	5178	13394	0	4604	21664	Phytochemical	0.39130434	0.9130435	0.04347826
26	C23 H21 O9 N1	456.1289	456.1295	-0.10083132	456.12888	4399	3090	4417	3782	4272	0	0	0	5277	21061	8388	0	4248	0	0	0	0	5000	6239	5250	13743	13780	0	0	0	8622	0	5297	0	0	0	0	0	0	12495	0	0	0	0	8888	9655	0	0	0	0	6592	13338	0	0	0	0	4938	0	0	0	0	0	0	0	0	0	8394	7215	3771	0	5855	2315	0	9797	9814	19090	0	0	0	0	0	0	0	0	8601	0	6427	0	4816	6961	0	2644	0	0	1502	2855	5453	6282	11868	22548	0	3624	0	3451	3265	0	0	0	0	8090	2059	0	0	0	5238	Phytochemical	0.39130434	0.9130435	0.04347826
18	C23 H21 O9 N1	456.1289	456.1295	0.010355772	456.1289	35555	33954	31067	32461	30205	17780	8060	9040	33641	162824	80975	6436	40599	18138	8416	9276	8232	39819	39991	92720	92202	78317	14112	13735	11995	98132	8597	59485	4947	4203	6441	8459	15145	13096	169115	4360	14653	10576	9944	76495	81200	11921	1412	0	0	57513	63531	437	8068	3236	34876	31331	24089	0	39274	25888	13099	12123	10608	11604	11253	52622	52189	32415	13521	37191	23746	9965	80773	123671	129734	6975	4711	3097	6414	5260	0	5930	18762	72152	12720	47279	7473	52910	32706	18757	19297	16302	18753	19658	30085	38871	20522	74082	117762	0	33836	33552	27853	23867	31825	12234	7014	22333	37881	9593	21267	0	12213	40142	Phytochemical	0.39130434	0.9130435	0.04347826
12	C23 H21 O9 N1	456.1289	456.1296	0.056765895	456.12894	9896	12676	9972	12994	11840	5183	4911	3615	15502	49550	33611	3311	15862	5957	2754	3989	3284	12191	14593	34199	44117	26929	5702	4049	3190	41500	0	16166	3009	1997	2534	2696	4223	1759	86782	2325	3032	3396	5934	27357	30425	2514	0	0	0	19890	35081	0	3393	1684	16921	8386	6645	0	10418	8111	4644	5908	0	0	0	23449	17838	9642	3725	16909	5892	4878	46810	62724	70511	1656	1739	2066	3367	4751	0	1234	10860	24756	6193	16998	3125	20212	12982	6022	6062	5810	4070	14336	6363	9072	9506	33063	26012	0	9519	11503	12635	10194	11804	2840	1659	4309	0	3727	9074	0	3123	17384	Phytochemical	0.39130434	0.9130435	0.04347826
16	C23 H21 O9 N1	456.1289	456.12955	0.04821197	456.12894	30983	30468	32051	34055	23631	13503	7669	9445	25370	126973	67757	4925	35734	15653	6731	9702	6435	29232	29425	75443	107303	71711	9224	13925	8515	81637	8922	52387	3490	4127	8268	8415	11767	4113	155067	4219	14531	6659	10101	61538	70252	10462	669	0	0	43581	54551	0	8493	2967	27229	26755	15610	0	29118	20745	9980	10139	10204	9789	10776	38736	41839	22253	9170	27717	11685	5868	85046	132517	119677	6006	4325	3007	5297	8899	0	4743	15949	44557	10447	41949	9457	47494	26273	13414	18067	10504	11292	0	20850	26335	0	68054	93502	0	33421	32328	22201	25781	19172	11343	4366	14639	23932	14536	15488	0	9966	38098	Phytochemical	0.39130434	0.9130435	0.04347826
14	C23 H21 O9 N1	456.1289	456.12958	0.022727625	456.1289	22070	20326	20473	21256	15677	13797	5422	5735	21471	82800	55093	4323	25963	8581	3554	9535	4557	20655	20495	53506	63043	48810	8620	4536	3270	67115	5806	46235	4463	2295	4331	0	7108	2637	114680	3342	6461	4735	7883	43882	51411	8260	0	0	0	32001	50688	0	5514	4230	17137	16006	10445	0	19356	14940	6054	10552	5374	8655	0	33079	26627	16157	8139	19602	10122	8051	76611	96309	97406	1952	2329	2658	4621	4083	0	4997	11561	38716	8112	22055	6938	28645	17554	7222	11258	9361	7025	8058	14433	12793	10252	37952	58811	0	20885	20494	14038	22005	13962	6137	3329	9882	22252	6925	11972	0	7458	25170	Phytochemical	0.39130434	0.9130435	0.04347826
8	C23 H21 O9 N1	456.1289	456.12973	0.052908372	456.12894	3462	2572	2540	4407	2468	1451	1441	0	4275	17024	10113	817	6859	2204	1099	1140	1270	3242	4336	12635	14558	8661	2246	3109	641	7343	1122	5104	1110	1011	717	0	1842	865	25572	1026	1273	0	0	7359	14596	1565	0	0	0	5505	9221	0	1418	1292	3618	4963	2389	0	3061	4470	1034	0	0	0	0	5874	6496	2719	0	3510	1910	1369	12563	14615	22433	1165	0	0	883	1206	0	669	3547	5538	2152	3922	932	3580	4920	0	2878	967	1460	3574	0	0	3291	9646	15302	0	4082	2977	4179	6018	3744	1438	0	0	0	1949	2287	0	0	5584	Phytochemical	0.39130434	0.9130435	0.04347826
20	C23 H21 O9 N1	456.1289	456.12946	-0.021305257	456.1289	25801	27885	30018	22571	28104	19195	5120	6619	28610	127009	62450	5965	28702	18754	7467	8072	7398	24800	35000	70526	94292	65356	8957	12501	8532	75582	4041	51257	6912	6005	5867	4417	10732	5546	148346	5612	12054	7901	7176	71952	67748	12667	1066	0	0	57246	64202	0	6318	5376	25715	30812	20220	0	27003	21997	11007	13127	13010	8423	10363	46268	37282	25441	12661	30273	13037	7840	65002	82602	112084	4433	2796	0	4108	3312	0	3238	14212	55877	10623	37962	11472	42537	22873	14014	20290	14217	12475	14545	22381	26460	20676	73662	91828	0	24111	34150	22293	19315	18569	11110	6778	14755	42033	9843	21965	0	8756	36901	Phytochemical	0.39130434	0.9130435	0.04347826
24	C23 H21 O9 N1	456.1289	456.1294	-0.030054493	456.1289	6711	9794	8489	7379	7567	5367	1566	2271	10889	35086	14294	993	11981	2929	2090	2759	2715	10568	12249	12652	23345	23854	3979	3025	0	17527	1153	9829	1692	1531	1358	1726	3541	1036	35920	0	4539	1455	1806	20016	17130	3435	0	0	0	17807	31770	0	0	0	8684	5805	5976	0	10789	7730	3737	2645	3157	1672	3786	17587	14018	9315	2406	6940	5986	0	18451	17918	25640	2158	1651	0	0	0	0	2080	4743	13563	2764	11895	1889	13332	10946	0	6982	5484	1705	3844	6789	6688	3478	24193	41787	0	6803	7014	8477	6467	6664	2143	0	2355	16923	2645	6903	0	2455	11767	Phytochemical	0.39130434	0.9130435	0.04347826
10	C23 H21 O9 N1	456.1289	456.1296	0.06613345	456.12894	7830	10535	9877	9307	7087	3271	1393	1846	8414	39856	20132	2270	14129	4080	2843	4816	2098	5445	6277	21394	31421	15990	1522	0	1777	26004	1634	11940	2374	1025	1420	1518	3102	1294	53390	1324	1925	1396	2657	15036	22875	2576	0	0	0	12565	19158	0	2052	0	7903	7053	5283	0	12423	6638	3765	3920	0	2294	0	11965	8661	9180	3290	8440	2861	3078	25462	38177	46497	2748	1970	0	1656	2562	0	1757	4502	15524	3373	8880	2165	8845	5661	4334	5409	1573	1978	6687	0	5593	3969	17176	23757	0	8246	10348	7431	8720	6219	2928	1584	3579	0	2843	5733	0	2058	7603	Phytochemical	0.39130434	0.9130435	0.04347826
18	C20 H25 O11 N1	456.15002	456.1506	0.004726135	456.15002	200080	178074	196002	173329	188230	167220	92778	203436	199608	302331	167447	121653	348651	95099	176295	174353	112654	311261	281820	432382	416188	215493	184454	198695	106166	215338	78822	115131	193199	176546	156781	158794	166556	147132	339183	193256	163740	120599	99889	274894	203954	124080	10676	1747	1181	429129	444867	1347	147174	182991	190613	183726	146296	1419	301079	182057	97876	133239	157999	95115	171960	232590	236193	193199	92303	177843	132687	104979	282108	258793	279208	0	0	207921	126451	157800	1066	135806	137300	139815	121200	296572	109126	155192	237495	142427	102183	106835	123038	80996	96652	163408	189870	161928	228180	2125	196505	218200	185919	122568	149001	184506	109252	191858	293848	130266	173980	1285	106536	263435	Phytochemical	0.55	1.25	0.05
6	C20 H25 O11 N1	456.15002	456.15082	-0.03611617	456.15002	17700	21452	15283	17544	11708	8733	8437	18370	15349	26562	17193	13497	32207	5661	12376	20414	19085	22056	26275	21771	41713	43188	16939	20386	5841	7111	9778	7274	15430	16545	11894	16454	19913	14074	34488	16483	14577	10201	18199	14212	29147	13884	0	0	0	18493	38250	0	15220	17576	19403	19021	12576	227	24477	17896	7675	19853	10421	19000	19986	15343	27495	21881	9996	19920	10630	21801	14062	12314	18368	18124	14884	13614	10125	11363	0	10828	11504	8805	10642	10595	7789	6141	18684	11219	9937	12475	14027	16693	0	14870	17317	19283	19181	0	17772	21867	12578	14257	19974	21079	11561	21964	20473	15066	13536	0	7254	30443	Phytochemical	0.55	1.25	0.05
10	C20 H25 O11 N1	456.15002	456.15073	0.010710352	456.15005	140262	138140	110738	115125	87590	67069	74034	153614	110851	259692	141065	96304	156292	41512	107268	135606	114077	136254	159308	268740	280782	190346	126176	152410	57220	95236	77750	71646	116611	132118	106668	117191	143261	106933	276376	132079	120959	83094	106077	178228	201077	85890	4698	0	0	213728	262186	0	123721	135041	133184	126125	75122	550	160843	87559	53768	124503	129172	115386	158650	142940	132641	107313	61503	97715	78884	107984	181634	112873	150209	126129	124032	134723	105290	110943	0	82538	95034	110000	91704	130491	79013	77795	115249	71578	85662	76850	73663	108733	71298	99607	166411	139013	180033	888	127014	161669	93300	79520	82771	147209	87881	161161	193430	104491	98267	0	67052	133305	Phytochemical	0.55	1.25	0.05
8	C20 H25 O11 N1	456.15002	456.15076	-0.023241814	456.15002	51648	53523	42916	57215	35159	26662	27544	67564	49274	97718	57998	40789	72319	17524	40423	57632	51431	51268	63328	89103	109454	161856	50323	60996	20188	29029	28594	26993	47736	49670	44704	46443	52048	42849	109714	50341	51822	35227	56550	70719	184208	36098	860	0	0	85606	117586	0	46092	55556	55231	59512	29332	0	68843	40215	24819	42347	43416	54410	61392	55511	61594	56309	25180	43855	30456	56344	65100	39722	56583	49561	48888	47582	40866	47257	0	33916	45785	36058	40170	43814	32557	32376	47568	27542	28605	31290	31125	58750	21373	41319	63637	60010	69714	0	54342	64179	40215	38654	43535	60392	36384	83452	69364	41126	44073	0	25164	60334	Phytochemical	0.55	1.25	0.05
24	C20 H25 O11 N1	456.15002	456.15057	-0.016968094	456.15002	39588	30580	36802	34556	41466	35730	12738	40934	32208	66532	29764	25516	57518	17110	31464	30534	27986	65128	37342	74290	92451	28124	31840	31312	14342	42852	7100	13866	30356	25900	21888	21030	26370	26012	49888	24324	23862	23800	13362	57489	52418	15294	0	0	0	92116	123742	0	33440	26484	30266	34072	28770	0	42604	33634	18880	17742	20184	19338	15598	42017	42452	34328	13150	35596	18348	17476	53476	68054	76101	35654	25232	38428	29148	22186	0	24206	21312	18260	28964	64202	16856	32796	50992	26782	10932	12482	19806	13238	7944	11266	30076	17776	30982	0	32448	45966	30278	20330	24736	22650	20456	26218	78064	20408	33380	0	13522	62440	Phytochemical	0.55	1.25	0.05
28	C20 H25 O11 N1	456.15002	456.15057	-0.03783135	456.15002	13831	11523	12524	10434	11046	10961	3543	11231	8374	32395	9574	5601	18653	3601	8886	9469	6554	16692	12397	37523	39487	5500	8233	10182	2970	19427	5228	6729	7934	7776	7885	4926	5821	8169	25352	9446	7166	5934	5664	19594	18767	5400	0	0	0	27486	35262	0	8675	9981	12591	13985	8391	0	11144	8237	4926	7931	7227	6434	7793	11685	10063	6746	5117	7013	8309	5180	24159	40979	32803	8892	6734	9824	7392	7506	0	5189	4338	5648	7333	16955	4110	13864	10888	6544	5587	3714	5774	3656	4504	8813	8718	5293	11578	0	10967	13296	8638	5022	5303	6365	4519	11707	20507	5727	8391	0	4440	15734	Phytochemical	0.55	1.25	0.05
26	C20 H25 O11 N1	456.15002	456.15054	-0.1034557	456.15	12773	9931	11666	11282	11444	14368	1902	9072	10448	29257	6956	7666	20302	4697	0	5283	6582	16216	13438	39987	40060	8742	8373	9691	0	13942	2265	5491	6740	7235	6442	6164	5543	5868	22184	6929	6480	5508	7181	14902	20810	0	0	0	0	31442	47719	0	8216	10230	13244	10630	9110	0	12519	10765	5637	6664	5961	6299	4722	17405	12096	7738	4771	7627	5215	2741	16790	32688	29478	10103	8080	12640	7115	4702	0	6994	5369	5982	5188	15395	4486	9968	13180	0	4605	5434	3608	3316	4783	5057	6942	4029	15258	0	13716	13234	8118	3686	7606	7104	5666	7215	20446	7460	7184	0	3700	19417	Phytochemical	0.55	1.25	0.05
14	C19 H25 O10 N3	456.1613	456.1619	0.044784926	456.1613	12462	8616	6694	7014	3899	4806	7975	11774	5611	3372	0	7651	5181	0	9259	12003	7442	6790	9957	0	7097	0	11058	11218	7741	0	6466	0	12468	10186	8121	0	15108	10302	0	10068	13424	9496	7097	0	0	6873	0	0	0	8482	0	0	9516	6776	0	0	5446	0	9917	2582	3587	15268	14818	0	0	6866	0	4689	4462	5707	10643	10513	0	1723	0	9048	6556	11215	6266	0	0	11878	8102	0	5717	5323	4394	0	0	0	9840	4496	4481	18026	8500	13765	24589	0	0	0	6146	9322	2384	3164	0	10906	6499	11976	0	11113	0	0	10197	8467	Peptide	0.5263158	1.3157895	0.15789473
12	C19 H25 O10 N3	456.1613	456.162	-0.007330488	456.16125	17326	17424	19514	19278	5812	8284	14503	22509	13261	10792	7625	13115	9731	3585	17779	17054	14011	15350	19721	9879	10990	24252	19967	18879	14414	0	6834	0	25704	15871	20053	16201	24717	15410	16948	17388	22214	17954	20205	12626	5603	11187	0	0	0	16639	15911	0	16061	21055	18482	14380	9181	0	19640	4643	7908	20964	28835	0	0	11944	12798	12517	5905	12958	12789	17415	0	0	3422	16256	15681	16517	11216	12464	0	13993	14026	0	10039	9938	9889	5067	7026	8076	22085	10056	13824	23783	20396	30995	42232	7831	6612	0	13509	19548	3833	3710	4620	18898	14019	18926	0	19299	5986	0	13489	19547	Peptide	0.5263158	1.3157895	0.15789473
8	C19 H25 O10 N3	456.1613	456.16196	-0.05203949	456.16125	25914	23568	21148	26062	12299	8994	14440	29805	16411	17431	11613	18994	19817	4085	20614	26969	23705	21058	26608	23203	21401	40717	23061	29482	10341	753	16665	5650	22578	19793	22384	24570	27976	19775	32116	21487	31611	19254	31246	22995	21431	16986	0	0	0	22260	22660	0	26202	23292	24338	26108	13978	0	26925	11063	12619	26840	25688	20098	27301	12719	25623	23477	14390	21125	18619	27009	0	4536	4855	24094	20622	20375	15968	16803	0	18395	20556	7666	15062	11157	11741	5650	10988	9638	19312	16939	18094	40339	19087	34816	51588	19723	20056	0	26032	25551	8606	11092	9965	33399	18441	28704	17016	33440	10748	0	14156	35171	Peptide	0.5263158	1.3157895	0.15789473
10	C19 H25 O10 N3	456.1613	456.16193	-0.050229415	456.16125	24194	19524	23779	23111	10387	12620	15206	31383	16243	17946	9293	20466	25121	5939	29164	30176	24257	21152	21545	16542	14542	45776	25938	28577	16534	2370	14521	5905	28066	23783	25335	29610	34639	22122	24109	22516	36675	19639	24091	21212	16995	13319	0	0	0	19772	20507	0	25582	26581	18284	21121	14135	0	21516	8234	10593	36125	29347	17258	29452	18415	21999	21519	11354	17353	15507	23488	0	5409	3229	25603	20923	20984	18565	21918	0	18923	21754	8324	15832	11602	13069	8284	10422	9875	22674	17592	17073	33195	23394	31251	66282	15459	15721	0	21741	20586	7943	8473	5647	33090	20384	31117	0	29891	8302	0	17123	22536	Peptide	0.5263158	1.3157895	0.15789473
12	C24 H25 O8 N1	456.16528	456.16592	-0.036769096	456.16528	12160	11731	11420	10822	7590	6015	4988	10576	10382	55207	30228	4582	10176	5504	5958	8796	7290	12812	10575	56735	64702	25451	5966	9372	7133	55191	4454	33180	6773	4402	5429	7274	10194	5830	68157	7284	7599	3523	7057	33810	37765	4904	0	0	0	20493	30050	0	12102	6069	10352	11923	7232	0	10704	6775	3565	6926	0	7928	0	29238	14335	8608	4429	13134	7417	12238	67615	73033	84622	7336	6131	5092	5241	4797	0	3583	11128	16840	6087	11477	5098	24067	9270	5094	7904	3914	5283	17465	13960	11711	10460	29771	26290	0	14902	19605	8421	8140	7048	9155	4083	5991	0	8624	8833	0	5356	9587	Phytochemical	0.33333334	1.0416666	0.041666668
18	C24 H25 O8 N1	456.16528	456.16586	-0.033457503	456.16528	48325	48825	46325	40404	30332	25215	16226	23834	32713	148244	100315	12841	37369	24428	21205	26094	17085	35684	43234	129455	128449	67266	18452	28160	18114	129343	12560	80857	23727	12758	17933	13712	25354	15600	143038	16039	26670	10367	18881	101779	95832	18173	786	0	0	55940	56409	0	24972	20535	47061	47033	27745	0	34544	28462	15723	26956	16830	23036	24097	60220	46914	30884	15720	35340	22314	19289	119337	180946	183502	17423	11617	14064	14145	17189	0	11715	25031	55751	19870	37774	20614	63726	29690	17771	31136	23408	19405	31540	47324	52890	43150	56715	85061	0	41069	36303	27807	24840	24875	24031	11225	33058	35026	26809	24947	0	19111	44894	Phytochemical	0.33333334	1.0416666	0.041666668
14	C24 H25 O8 N1	456.16528	456.16592	-0.03574075	456.16528	19668	19585	20464	26701	12966	7343	14230	13478	16465	78463	55899	6811	15946	10846	8785	15715	8058	14075	19504	72350	63297	43060	11914	22552	8902	80018	7170	46592	6619	9618	9262	9580	14259	5242	88990	10250	11034	6586	12942	47278	51126	11907	0	0	0	32525	27319	0	11003	7261	25797	20521	12114	0	16597	11596	8660	14910	6356	9387	0	35471	13757	10663	5654	15121	11594	15426	72451	107023	114938	9827	7343	7021	7710	6574	0	8925	19031	21422	12384	18515	11842	32569	14660	6918	15447	9331	8880	24297	21656	21297	19124	26881	42145	0	20927	23652	11082	16013	10715	8303	5103	17859	19602	15555	9541	0	12889	17177	Phytochemical	0.33333334	1.0416666	0.041666668
26	C24 H25 O8 N1	456.16528	456.16577	-0.12627158	456.16522	7514	5833	6293	5835	6592	3348	0	0	6776	17847	10185	0	7590	2481	0	6202	0	6789	6852	0	13734	12227	0	7425	0	10177	2094	10053	0	0	0	0	3103	0	14107	0	2327	3640	3088	9426	11885	0	0	0	0	7376	9875	0	0	0	4722	5017	5507	0	7425	0	0	7066	0	0	4817	7001	5906	4773	0	5443	2563	3430	16521	19696	29601	3936	0	0	0	0	0	0	3808	6566	6211	7868	0	5292	6358	0	6710	4636	0	15530	2712	3345	9501	7130	12570	0	7848	0	0	5322	0	0	0	0	0	7593	4195	0	3444	7865	Phytochemical	0.33333334	1.0416666	0.041666668
10	C24 H25 O8 N1	456.16528	456.16595	-0.027575757	456.16528	11603	8545	9615	8734	5292	4870	2576	3490	6855	37174	24021	1787	5169	4763	2526	5843	4773	6636	6202	37371	40036	19722	4577	4758	3121	42004	2547	23542	3331	3209	3442	3555	4169	3725	50402	4172	5168	2262	3742	21287	24624	3148	0	0	0	13750	18790	0	4362	4762	12309	7890	4309	0	6408	3945	3282	6558	0	4181	0	12235	5255	4595	3563	6402	3372	6647	36358	56579	53097	2381	5085	2743	3901	4645	0	1565	6745	12647	4594	9247	3724	15151	6149	3401	6702	4114	3689	8206	7816	7120	7823	17180	25488	0	12602	11386	8125	7166	6247	5162	2471	7216	0	4916	4597	0	4550	6348	Phytochemical	0.33333334	1.0416666	0.041666668
20	C24 H25 O8 N1	456.16528	456.16583	-0.042230688	456.16528	44604	40291	38465	39355	36245	25443	14412	20236	36176	131920	95121	12146	36905	23529	17260	28409	14225	40796	38006	118911	135117	65643	19334	32949	17400	143742	13619	85889	19764	17225	15560	15015	20593	15598	156642	16226	25549	13476	17391	94581	90155	21498	1244	0	0	61825	66624	0	23007	17658	41927	42236	25139	0	30020	29608	18633	25253	20089	20626	24868	61392	41882	27686	17974	35599	23463	16483	121755	160746	170976	15646	14663	10313	11960	11445	0	12814	26586	52869	16566	37730	16134	74988	32990	19726	28526	21807	20393	31060	42257	40564	38504	70389	67923	0	42032	34153	25155	25807	29858	24194	9817	28545	46935	23898	27201	0	16276	42962	Phytochemical	0.33333334	1.0416666	0.041666668
8	C24 H25 O8 N1	456.16528	456.16605	0.022326365	456.1653	6208	6032	3563	4903	2528	3034	0	3251	3453	24220	15567	1937	4002	2801	1711	2750	1122	3898	7091	18162	23225	12068	4325	3852	2158	19692	2326	8469	1823	1170	1712	2974	3328	2193	24473	1912	3387	1484	2022	11510	16493	1515	0	0	0	8959	13397	0	2893	2203	5895	4498	2971	0	3521	2673	2188	2876	1326	2437	0	7208	4926	2862	1839	3683	2716	3020	21004	29900	37184	2153	2140	2701	1701	2581	0	0	4226	6006	2193	4207	1864	7164	3115	0	3399	2544	1736	3509	0	0	4880	7319	14013	0	3928	6121	2396	4242	3242	2001	1535	2977	0	2959	0	0	2900	3055	Phytochemical	0.33333334	1.0416666	0.041666668
22	C24 H25 O8 N1	456.16528	456.1658	-0.08253475	456.16525	34437	27135	21945	32194	26201	19846	13755	14048	21592	95924	72989	8892	24324	13560	12763	21979	34767	26230	25681	75050	79936	41554	17285	16951	14892	96692	11607	73973	12119	16870	12165	7425	20128	15114	95327	13007	21274	16774	45300	58282	60070	15950	0	0	0	47661	50033	0	13957	10771	32099	32071	24210	0	23117	18847	14902	14926	12090	12926	17996	41103	29443	20842	11019	30932	25102	22312	90540	103396	119825	13242	6816	8432	10040	8735	0	12235	20345	41079	11001	30727	12940	46697	27292	16313	18145	18085	16025	18445	22049	25502	27854	50580	62792	0	25506	23049	19346	18992	23251	20069	12244	20919	38362	15268	20168	0	14761	26941	Phytochemical	0.33333334	1.0416666	0.041666668
24	C24 H25 O8 N1	456.16528	456.1658	-0.05386553	456.16528	11856	8790	10152	11981	10350	7005	1715	3867	11326	44564	31508	2231	8725	7888	3868	6058	6661	11728	11953	25061	31105	19776	2752	8356	4009	25729	2473	24802	2495	2972	2464	2714	6505	3263	39475	4975	5751	3938	7893	31724	29089	4944	0	0	0	21335	28010	0	3734	2707	9604	10589	11417	0	8998	8239	4625	5634	3864	2901	8505	23509	12514	9764	2958	11813	8646	6345	41135	38790	64933	5361	2828	2212	2586	3806	0	3634	7663	19271	7576	17887	4069	19569	11132	6514	7582	7659	6771	8875	9127	11633	12315	17720	20771	0	12136	12813	8522	9148	9357	6053	2380	7109	12171	5650	10583	0	2917	15202	Phytochemical	0.33333334	1.0416666	0.041666668
22	C21 H29 O8 N1 S1	456.16867	456.16925	0.01825895	456.16867	6975	7479	4249	5984	1741	5711	2144	4911	3858	15800	6922	3227	6443	0	2464	7606	3905	9771	6638	18348	16085	13045	3513	5330	4122	11788	0	5977	5275	2618	5339	5433	3972	3637	19407	2738	7165	3914	2783	13836	8620	2851	0	0	0	12095	9615	0	3641	2231	5719	3443	4320	0	4668	5851	2172	5583	6235	5990	4397	12047	3266	2419	0	6175	7008	3290	7990	14874	7777	3030	3478	3428	3833	2688	0	2497	2990	6422	3387	6341	7986	8114	3007	3506	3303	3928	3155	4861	15222	21983	9654	7015	14642	0	8134	7949	3202	3625	4819	6488	1805	7544	6548	4380	4760	0	5079	5519	Organosulfur	0.3809524	1.3809524	0.04761905
14	C17 H29 O13 N1	456.17117	456.17175	-0.2282052	456.17105	0	0	8943	0	80053	0	0	0	52492	0	0	0	39104	358666	0	0	0	6954	15867	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46911	0	12882	167111	38056	0	0	0	0	0	0	0	29440	12811	10409	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21762	23955	0	0	0	0	0	0	0	0	0	0	0	0	20377	9330	7746	0	0	0	0	0	228976	0	0	0	Unclassified	0.7647059	1.7058823	0.05882353
22	C13 H30 O9 N5 S1 Na1	456.17346	456.17404	-0.25178117	456.17334	23643	28626	27613	28712	28291	18656	9138	12873	34250	67979	59786	7654	33236	16633	13212	14706	7898	26910	26754	60126	75311	24174	18209	14144	12179	108333	9118	47362	10508	11428	12120	11137	15133	9435	86926	10732	15265	11409	9154	52037	47177	10946	0	0	0	33513	27485	0	14858	8082	28073	28169	20271	0	23775	25177	14119	12246	12906	9362	14807	28887	35744	23121	10881	25946	17192	12612	96982	134476	151707	13793	11534	9280	6283	9842	0	8381	23254	14797	20588	26457	11067	27458	31505	15219	20933	11944	14088	11801	18110	23228	19568	30064	37537	0	24670	22955	20649	30311	25433	14404	8125	17952	15915	12365	24271	0	10754	29383	Peptide	0.6923077	2.3076923	0.3846154
26	C21 H29 O10 N1	456.18643	456.18695	-0.10909725	456.18637	14464	13440	14120	12167	11822	14442	2930	16347	10540	39197	10696	7700	23226	4779	8618	13439	8387	25362	14884	38875	46392	7799	15187	15324	6889	23491	3693	7716	12681	8941	9596	9852	10608	11264	25359	7723	13199	10792	8264	20864	17483	0	0	0	0	25748	27892	0	12591	16957	14690	16131	7709	0	17394	10525	5578	11468	8555	6200	10247	12917	15394	12275	3185	12713	7598	8321	27073	46306	33168	15970	10839	12933	11116	9698	0	9749	11831	0	10698	13074	10134	12883	16946	0	5651	7747	6869	6049	10063	9458	12681	6099	9181	0	17264	15964	9617	10732	10382	9487	7374	11860	11640	9015	9567	0	7913	24229	Lipid	0.47619048	1.3809524	0.04761905
14	C21 H29 O10 N1	456.18643	456.18707	-0.016613428	456.1864	395048	390853	381344	378715	255085	248898	269077	651854	324657	619200	344534	279678	433111	178481	470544	509792	369767	499655	473245	963302	913058	456721	518593	619630	428496	697090	220206	336310	569208	553751	409357	499411	476543	396304	773625	577564	398912	334341	282220	520476	424217	305234	13498	1569	941	656638	547004	989	427093	542605	386210	361942	233260	1916	479075	262563	166917	427067	613395	309466	650050	404754	348056	321469	176419	275301	250013	261803	629714	754370	551800	437703	425299	644118	369154	419851	440	361516	323515	317491	327143	365106	317127	313568	342926	259133	272670	218968	271392	275437	304418	369974	544231	240417	390612	4294	384876	514208	274932	198397	233455	526842	303630	668773	558935	350139	288789	1023	513632	327284	Lipid	0.47619048	1.3809524	0.04761905
22	C21 H29 O10 N1	456.18643	456.18692	-0.055571973	456.1864	210952	178126	195500	186932	190544	163366	83908	252724	218714	363838	170214	136868	0	99274	182270	180882	100972	317722	264056	377168	452088	145250	200034	225094	156628	293846	78330	115794	198420	184544	187662	190960	183796	183674	340162	0	189022	141888	89974	263010	179290	117686	10548	0	1430	338672	290394	0	174004	216340	209278	193520	151814	3114	254704	169604	102272	155856	138724	99574	179054	194580	246248	0	93966	0	128542	96726	265174	434262	321018	220878	177638	228242	0	152998	2170	159606	165502	99414	173022	197778	123334	159690	233042	139534	142366	0	122512	90946	124378	152962	222882	105340	188838	0	214292	235948	169464	129218	148320	164630	136942	205607	228288	153126	173408	0	110056	294546	Lipid	0.47619048	1.3809524	0.04761905
24	C21 H29 O10 N1	456.18643	456.18695	-0.08874645	456.18637	80412	63800	70906	70438	58842	0	26164	80234	71878	146746	43124	39986	112876	28196	52048	75110	32096	92022	70416	145670	161098	46734	78896	81850	48470	105000	16282	33453	65458	56048	50866	53942	52754	66786	118214	70840	0	34596	29144	96774	65244	35022	0	0	0	97514	120512	0	64272	62480	65610	59100	43728	0	96114	58818	29286	52562	41442	30538	70640	64166	81072	73208	27768	78934	38846	26752	106867	173028	136095	78126	53108	80748	42812	56066	0	49062	54266	23582	53316	58318	31082	55430	83074	37546	43592	33800	41756	35504	30444	38652	72476	28428	64136	0	86122	71602	49410	45682	56864	50730	35462	62806	63736	51698	51578	0	35630	110034	Lipid	0.47619048	1.3809524	0.04761905
28	C21 H29 O10 N1	456.18643	456.18695	-0.072372995	456.1864	10986	9522	10513	8473	7945	5805	3665	9957	5489	26178	6533	3501	12143	2089	6737	10751	6407	9824	7949	33712	28995	6412	6736	11210	5517	20117	3547	7199	9611	7910	6740	8127	8049	9318	23697	7751	8661	5556	5899	14356	13120	4806	0	0	0	13745	14659	0	9930	10439	11571	9007	6228	0	10519	5793	2879	7956	6474	5401	8600	8964	9634	6900	3080	8304	4458	4749	21233	40777	29226	11457	7869	10074	9145	5514	0	4940	6503	3728	5966	9489	6250	9728	9232	3262	5805	3118	3920	6057	6290	9633	10154	2215	5931	0	8386	12916	4482	3436	5568	6976	3781	10234	6972	5416	6617	0	4118	8783	Lipid	0.47619048	1.3809524	0.04761905
8	C20 H29 O9 N3	456.19766	456.19833	-0.07249177	456.19763	16323	20287	14179	23255	8253	9172	11414	22041	8863	14807	6554	11963	14430	3973	18923	20753	13412	15167	18198	14599	12294	29130	17228	23490	17254	1050	11300	6959	21196	15705	19978	22240	27643	17467	21383	18210	29943	16736	16639	13844	12489	10957	0	0	0	19047	10239	0	27236	17155	18736	15723	9296	0	16780	4317	6426	29345	17105	8570	20163	9984	13898	10997	5500	11442	11537	14211	0	6963	2564	23393	16738	16775	10632	16374	0	16594	13071	3976	10484	7804	11089	7944	4816	7072	13842	10367	12773	29178	27317	36049	42127	6485	12627	0	23465	21184	4669	3626	4087	23943	11984	27411	0	20003	5096	0	13893	15996	Peptide	0.45	1.45	0.15
14	C20 H29 O9 N3	456.19766	456.1983	-0.010625775	456.19766	7465	9731	6396	0	3627	5044	0	9831	5708	0	3043	3443	2479	0	11377	8772	0	6178	7772	9309	4937	13307	8386	9340	14780	0	5149	0	13622	6817	8556	0	11911	9082	3239	10081	13293	8928	5581	5402	0	4646	0	0	0	6416	0	0	14074	6238	7217	6225	1346	0	0	0	3052	11379	14018	0	0	2566	3392	4011	3964	4760	4541	4185	0	0	0	10906	8511	12671	5542	7447	0	7221	5929	0	5757	2930	5859	4419	1960	0	7324	4467	0	9319	20680	18943	25120	0	0	0	7712	0	1872	0	1174	12077	6396	9188	0	11745	3575	0	8817	4653	Peptide	0.45	1.45	0.15
6	C20 H29 O9 N3	456.19766	456.19843	-0.01390387	456.19766	17099	13420	13241	16430	8697	7563	9202	18536	9095	14180	4504	10998	12771	2461	16793	21793	11790	13094	15950	11508	13313	25106	12803	18286	14728	637	7544	4244	19138	13460	16705	20023	23591	12291	17291	16595	21464	13287	13948	9415	9027	6190	0	0	0	16366	10152	0	21762	16960	16873	12930	8809	0	18068	4720	5162	22722	14879	9199	20795	5882	11899	11050	6003	11943	12310	14775	0	4236	0	17034	15035	15055	7057	13804	0	12092	11451	5323	8976	6046	9321	4361	5569	6687	12821	8202	10362	20764	19398	32246	42229	6900	11110	0	18285	15523	4374	4867	3993	19743	11599	19381	0	19676	5963	0	9403	17128	Peptide	0.45	1.45	0.15
10	C20 H29 O9 N3	456.19766	456.1983	-0.089168794	456.1976	22222	17765	15729	17807	5703	8547	12759	27572	5897	12689	4001	11952	7794	1921	24758	18499	9191	10990	16357	21248	13777	27173	19463	25337	23702	0	10350	4584	24353	18298	28192	28772	28835	24534	22723	25401	31340	14880	12160	19690	6995	7890	0	0	0	18963	8168	0	27214	20817	17694	18552	10059	0	13008	3140	6769	29717	27832	8476	31373	9888	8542	8492	5014	11879	10024	11771	0	4884	2740	26058	20503	28499	10711	19503	0	17735	14549	0	11161	9076	14033	6161	4187	8450	16098	9383	14971	20069	42157	45127	50284	6120	11184	0	16650	19634	3293	3204	2317	29098	16971	25913	0	21862	4124	0	11531	11885	Peptide	0.45	1.45	0.15
24	C25 H29 O7 N1	456.2017	456.20218	-0.06971662	456.20166	22117	22035	21142	19815	17096	23982	5255	15063	17725	53702	40760	8562	21820	13701	10196	17200	10690	26993	29353	46130	50231	29713	16400	22622	14199	84874	4891	48785	15966	12970	13589	11764	21789	13451	52655	13280	24134	6749	12988	46710	45242	11975	0	0	0	30633	30684	0	14534	13805	21982	24433	18807	0	16075	15637	9538	16137	12161	8089	20685	30785	17082	18633	6814	20213	18959	11101	80795	76303	101392	11832	9822	6085	7790	10740	0	7943	18515	27409	14158	22355	9214	35121	20256	8514	18369	13596	15899	16998	21508	18918	36242	22311	31379	0	22459	26855	12566	13777	13156	16719	8852	19913	18252	17819	14312	0	10377	19803	Phytochemical	0.28	1.16	0.04
14	C25 H29 O7 N1	456.2017	456.20224	-0.13998823	456.20163	14165	14302	15865	12080	8252	7399	3413	11025	6813	35793	34838	8388	3870	7283	6578	16329	11249	7578	7773	52329	53718	21853	6975	14977	10836	54264	7377	29259	8126	8848	7365	6947	14449	9499	41571	9123	13020	6570	15284	31878	29726	7165	0	0	0	16642	24418	0	9832	10375	13103	12786	7201	0	6725	3579	5438	15664	0	9248	0	17151	5748	5129	4679	7290	6169	15294	59632	60733	73155	5052	9720	7093	13548	7370	0	5954	13069	0	8745	6924	5680	22641	5610	6728	12454	5868	6651	38303	15663	16058	25577	18505	21905	0	15274	13628	8095	4045	7615	10962	6240	11667	0	10364	4511	0	9577	4671	Phytochemical	0.28	1.16	0.04
8	C25 H29 O7 N1	456.2017	456.20242	-0.04011682	456.20166	4787	5142	5116	5312	2419	2411	2627	4018	2460	16649	7447	2360	2188	2421	1729	4068	3192	2542	4656	18756	17108	5626	2749	5956	2164	17229	2616	8919	4023	2864	3525	4041	4141	2686	18505	2544	3666	2185	4973	9652	9106	2035	0	0	0	6049	10346	0	2907	3646	4181	6913	2378	0	2742	1312	1284	3662	0	0	4865	4249	2378	1780	0	2409	3298	6329	12775	23684	22566	3962	3390	3712	2231	3194	0	2416	3408	5091	2227	2101	0	8722	1732	0	3754	1623	2614	7436	0	0	8185	7343	12449	0	5972	3260	1332	1445	0	2955	1979	4812	0	4238	0	0	2258	997	Phytochemical	0.28	1.16	0.04
10	C25 H29 O7 N1	456.2017	456.20236	-0.048159372	456.20166	9383	6621	8216	6245	5072	3648	3340	6878	2290	24765	17822	2999	2598	2721	3662	5849	5314	2895	4463	39931	36347	5890	2631	8350	3982	30909	2618	17751	5008	3121	5239	5866	6448	5882	29898	5612	6036	2581	5898	21339	15975	2718	0	0	0	11696	8774	0	5448	6545	11054	9873	3820	0	3459	1825	1837	4782	0	1878	0	7894	4182	3022	1512	3285	4647	7340	26188	44772	43155	4354	3714	3465	6940	4332	0	3558	4182	7414	2109	2265	1688	14308	3368	3047	7384	4811	0	13936	8283	0	8534	9658	18218	0	10791	8601	3599	1943	1489	4960	3637	4111	0	6307	2568	0	4242	2354	Phytochemical	0.28	1.16	0.04
26	C25 H29 O7 N1	456.2017	456.20215	-0.072394855	456.20166	6382	8178	7617	6971	5223	7152	1534	0	4518	14739	14478	0	5466	4586	0	6381	0	6009	7655	16515	19143	11163	0	7763	0	25629	0	16150	5681	0	6567	0	9188	3343	12661	0	9111	3353	3113	14926	17330	0	0	0	0	7800	13149	0	3364	0	7005	6694	4668	0	4666	0	3675	8544	2970	0	0	10347	6592	3881	0	10459	4734	4107	30584	25566	38429	4172	3281	0	0	0	0	0	6965	10424	8446	6383	3821	10031	5788	0	7563	5899	5389	5788	6310	6421	14844	8204	7427	0	7593	6751	3413	5690	11154	5271	3112	6951	0	8810	4797	0	4939	9237	Phytochemical	0.28	1.16	0.04
28	C25 H29 O7 N1	456.2017	456.20215	-0.10041104	456.20163	4663	6856	4857	7337	1859	2933	4254	6398	1688	5967	4976	3803	0	4875	4085	12470	15168	3459	5633	2341	3953	6048	6731	17878	5916	6138	1854	4836	6544	4030	6692	4933	13669	5410	2306	5689	8736	4151	12239	4283	6622	5978	0	0	0	4161	3157	0	7557	4563	7716	4422	5103	0	0	0	1678	15138	1972	1940	12220	2036	1368	3583	0	4349	6469	15184	7312	8333	14921	3759	3596	0	3356	2850	0	4875	8520	4176	6820	1354	2419	3483	2975	0	10935	6113	5867	24933	3517	5141	16219	3077	4275	0	7779	4903	1182	3505	3615	10441	2760	4440	0	17314	0	0	7565	3104	Phytochemical	0.28	1.16	0.04
8	C19 H29 O8 N5	456.2089	456.20966	0.1625702	456.20895	2517	2125	1261	2786	2406	0	2192	2987	1263	0	1444	1195	1849	0	3057	2524	1609	2876	0	0	0	2239	1265	2098	0	0	1122	33981	2641	1801	1815	0	2820	1320	1101	1793	1487	0	1732	0	0	1290	0	0	0	0	0	0	2064	899	2587	3021	1752	0	1154	0	794	3191	0	0	0	0	1027	1114	0	0	0	1843	0	0	0	2117	1529	2248	1127	1489	0	1337	2524	3188	1572	894	0	0	0	0	1541	0	1550	3984	0	0	5333	0	0	0	0	2261	0	1386	0	1226	1349	0	0	1328	0	0	2504	1791	Peptide	0.42105263	1.5263158	0.2631579
10	C22 H33 O9 N1	456.2228	456.22345	-0.112329654	456.22275	30595	31254	32733	34619	16566	15653	22162	52889	16652	37249	19699	23391	26422	10638	33005	40361	24974	23463	25059	48989	48229	45865	30691	52352	27211	25645	18649	13903	39921	42723	35695	43192	38490	31767	43786	42017	38895	23066	28868	31004	22075	21496	663	0	0	37936	27469	0	39138	37861	30024	28019	14746	0	30369	17185	10930	43371	28093	21416	43292	21685	19539	20052	9174	22115	16278	30425	21732	32665	24682	30535	33869	41258	30844	29693	0	26801	30563	20289	25917	20755	24798	17921	19102	16045	29559	11389	17322	25965	45298	34142	53236	18777	31070	0	28668	36903	12820	14698	18979	42167	20143	49284	17921	29959	15322	0	26629	24854	Lipid	0.4090909	1.5	0.045454547
18	C22 H33 O9 N1	456.2228	456.22336	-0.07658041	456.22278	455790	435053	453403	413352	305369	301106	282335	713983	330029	595852	328482	317020	509094	194875	510459	565799	309359	569495	646573	919654	764095	418389	532352	696340	422530	528209	256765	298334	715467	575443	497906	525660	564521	500364	625256	646009	554873	367535	266149	486309	272802	343603	12739	1125	693	516718	318232	847	532002	579842	442988	421132	314490	2112	597936	325982	219497	481833	436561	227699	588865	316860	415959	373802	175795	369912	320641	275642	413571	675549	445116	558826	463833	663199	367907	540234	449	387097	399250	210159	362625	263055	337294	285028	373405	293200	340932	266613	334538	252146	442289	523916	680337	208334	393176	3335	450416	530226	271047	232445	286338	615500	322858	648982	255819	411058	292504	995	312652	426321	Lipid	0.4090909	1.5	0.045454547
28	C22 H33 O9 N1	456.2228	456.22333	-0.117988475	456.22275	7159	6602	5995	6015	5202	3752	1419	7898	4208	14745	6874	2757	12362	3067	2507	7693	4043	6871	8530	19652	16469	4770	5500	4576	3805	13477	1982	3868	6567	5715	5752	3880	5881	6933	14224	5303	6322	3506	4063	7167	4285	2477	0	0	0	7362	3583	0	7416	5496	7695	5100	4587	0	7202	4053	2471	5881	3646	2019	8887	4397	7022	4989	2210	6472	4590	2780	12603	25652	18994	8025	5554	4943	5930	5683	0	3186	5506	0	4699	3441	3959	5123	5838	3233	5955	2277	3888	3908	5566	4658	8633	1685	5537	0	6742	6595	3174	4478	4281	5588	3692	6129	2915	4079	4156	0	2969	12057	Lipid	0.4090909	1.5	0.045454547
14	C22 H33 O9 N1	456.2228	456.2234	-0.13015954	456.22275	114470	116934	124856	113451	67174	70267	93918	207204	88637	119119	89197	101099	112538	54284	149476	195587	155089	122175	140710	212293	187932	125132	156802	207526	136541	156293	87180	93586	172648	199621	119302	167256	154667	110522	142185	186106	136386	110631	132080	109413	108340	100788	3448	365	0	169620	153854	0	145032	180748	120246	110809	76836	577	137247	89182	62043	152540	167618	116754	198142	93495	96308	101597	64134	88196	86737	125831	149176	170767	119076	132594	126677	203402	154698	136602	0	114649	127615	80244	115738	88023	103344	80723	113760	78444	111315	66945	83165	123635	113662	125207	210229	73798	111757	1253	118888	161533	70596	75695	108711	171626	98164	224214	108571	127168	89682	439	101464	100653	Lipid	0.4090909	1.5	0.045454547
6	C22 H33 O9 N1	456.2228	456.22354	-0.08388759	456.22278	13321	11874	12275	11931	5811	5360	6322	18032	5085	17709	6498	7355	11660	2822	11873	14998	8409	8564	9490	18728	17769	18391	8806	17031	8060	5293	6496	4541	19663	15914	15334	16385	15972	14931	17756	15043	16063	8740	9581	11578	7847	7175	0	0	0	12578	9728	0	27717	13667	11274	11825	6628	0	8627	5128	3501	19862	7729	5506	14866	5506	10171	8400	2653	7401	8170	10147	4930	11372	5813	13848	14499	12752	7171	10409	0	8046	8443	4054	6142	5183	8460	5526	6247	6477	9371	4206	8883	12886	17447	17015	20963	6778	12028	0	13781	12132	3631	4519	5881	15688	7559	20846	0	12110	4099	0	5636	11451	Lipid	0.4090909	1.5	0.045454547
8	C22 H33 O9 N1	456.2228	456.22348	-0.117365144	456.22275	23227	18523	18424	19431	8035	8783	12762	30001	12249	25434	12168	10914	16862	5346	16605	18924	16219	12082	17061	28129	28303	25148	16528	26668	16783	10855	9097	7103	19953	24110	20042	28039	26083	18076	38946	25039	26870	12847	14296	20012	13383	8169	0	0	0	24439	15219	0	25506	20883	20384	21086	8913	0	16850	8908	7026	25396	12472	9573	21808	10859	13964	14541	6719	13897	9842	17265	8149	19452	13937	22045	21231	25081	11951	19144	0	15064	16198	10154	10793	9147	10181	13055	8479	5551	11607	8465	10211	18486	32617	26823	34146	11483	24693	0	17058	22858	6507	10061	9891	21880	11582	32327	6356	17935	8047	0	13047	15307	Lipid	0.4090909	1.5	0.045454547
12	C26 H33 O6 N1	456.23807	456.2387	-0.0691011	456.23804	6199	0	5634	6872	3300	4406	5127	7279	1157	11631	9040	2627	1239	2025	2798	5262	9286	1220	3918	20032	22051	0	4067	5770	3494	25263	2254	13914	7025	3853	8134	4561	11438	5465	20913	5603	7086	5306	9633	9226	0	3381	0	0	0	7353	3965	0	6304	4854	3676	4754	3301	0	0	0	1376	5938	0	0	0	3125	2356	0	1487	3783	3400	10453	0	24841	30978	5191	5048	4146	3685	4783	0	3247	3691	0	1942	1154	0	7513	2109	910	3192	2377	2846	22201	6660	0	7439	7021	9089	0	7356	6136	1567	976	884	11608	4134	4698	0	5804	0	0	3026	1145	Phytochemical	0.23076923	1.2692307	0.038461536
24	C26 H33 O6 N1	456.23807	456.23856	-0.11978256	456.238	31971	34657	30380	38307	25725	20479	12877	25044	21966	44476	54853	14885	23160	21225	20911	34989	24624	17815	29564	60489	61833	32583	20003	43323	25027	121715	15164	58877	30099	24409	24278	29197	29707	27087	46109	29039	34429	17960	27959	51517	60904	21436	0	0	0	30222	34588	0	34439	24884	33497	33130	21312	0	18550	16623	12432	40928	20047	23204	37836	35427	14790	15174	13000	25772	28546	32552	98167	91633	111033	27650	24865	20846	21469	23089	0	18373	25084	33647	17524	21748	19114	44977	22754	10795	38388	18334	25317	59459	32639	39444	72792	30869	31482	0	36186	31392	14661	20592	23625	37252	16960	42818	23471	33845	19109	0	27305	19302	Phytochemical	0.23076923	1.2692307	0.038461536
10	C26 H33 O6 N1	456.23807	456.2387	-0.053388905	456.23804	6320	4892	5574	7072	2215	2027	1316	5688	1926	11577	9708	4275	0	0	3612	6813	6543	1719	2743	17404	16508	2677	3410	6774	4875	20393	2965	9547	6688	4712	7077	7448	11726	5618	11885	5772	14740	3505	6698	7816	1458	2599	0	0	0	4954	5072	0	5758	5898	6356	4874	2461	0	1688	0	1034	5883	0	0	0	1951	0	1038	1493	2023	3352	10608	9025	17754	15701	4153	6146	2930	6033	7521	0	3476	2405	0	2662	0	0	5763	1161	1178	2880	814	2462	7301	6688	2214	10982	4501	6240	0	4172	8049	1816	0	0	9547	2905	5073	0	4447	1301	0	3057	1125	Phytochemical	0.23076923	1.2692307	0.038461536
20	C26 H33 O6 N1	456.23807	456.23856	-0.16288503	456.23798	27069	29053	24742	26266	17676	13062	17055	25435	11477	38441	43033	15711	6813	15998	15798	38210	34642	14601	18881	51202	50304	29667	14751	31370	20456	71650	20718	32652	25013	23389	18529	24857	34844	22327	28865	18309	31134	18713	36387	42686	51552	17018	514	0	0	17971	19989	0	26580	20698	23566	29060	15199	0	10730	7231	9576	30699	14838	26879	34020	21796	9109	9049	11740	13370	16900	41690	57679	66498	81003	17648	18514	15322	27055	20425	0	14232	24344	30005	14862	13411	18994	24091	12451	11445	37421	18736	15541	64936	34785	30868	48772	23399	28660	0	28286	24480	9693	11560	11231	29654	15125	26358	14685	31257	10516	0	21576	10681	Phytochemical	0.23076923	1.2692307	0.038461536
26	C26 H33 O6 N1	456.23807	456.2386	-0.065116815	456.23804	15334	15228	12448	12543	14317	7594	4842	13805	9186	13373	23617	6582	7743	8012	10501	13335	10071	0	12381	22292	21029	13111	8865	14149	15666	47386	5566	23902	10273	12217	10582	8368	17697	11000	16810	14069	14360	9622	11998	23792	27298	6378	0	0	0	17493	12574	0	10774	13645	14678	11824	9098	0	13560	0	5554	15885	8182	9737	18208	12833	6697	7553	4269	7704	12534	11653	55700	34809	54310	10421	8412	13594	0	10765	0	7589	16399	11783	7718	10987	10376	19937	9486	0	19171	6825	8968	39917	15149	13134	28853	14023	13818	0	16394	12642	5956	11384	13336	17498	5649	17085	8801	18604	10265	0	16621	6022	Phytochemical	0.23076923	1.2692307	0.038461536
14	C26 H33 O6 N1	456.23807	456.2387	-0.06262746	456.23804	6553	6337	4923	4840	4921	1489	0	5427	3102	14465	13194	4179	0	1330	3794	4288	5819	0	2337	23087	18120	0	5330	7044	6275	30368	5154	12775	5616	5076	4378	0	11686	4607	19965	5127	12035	3967	6626	11490	7774	5464	0	0	0	6457	6306	0	5354	4073	3754	4589	2109	0	1733	848	1825	6847	0	0	0	3700	0	4025	1482	3337	4862	6847	16334	31699	25264	2629	5499	4792	6485	3766	0	3779	4943	0	3832	0	0	6648	1056	0	3141	2825	3537	17653	7914	0	10595	5032	12346	0	6310	5148	0	1051	0	7895	3200	3178	0	7456	957	0	3308	0	Phytochemical	0.23076923	1.2692307	0.038461536
28	C23 H37 O6 N1 S1	456.24142	456.24152	0.09867931	456.2415	0	0	0	0	0	0	9224	0	0	0	0	0	0	0	0	0	0	0	0	0	0	898	0	0	0	0	29124	0	0	0	1262	0	0	1142	1125	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1296	0	0	0	0	0	0	0	1507	0	0	0	1602	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1860	0	0	3176	2608	2145	2896	0	0	0	0	0	0	0	0	0	0	0	0	1095	0	0	0	0	Organosulfur	0.26086956	1.6086956	0.04347826
6	C19 H37 O11 N1	456.24393	456.2448	0.19315802	456.24402	1128	1017	1414	1041	6354	3075	0	1058	1933	0	0	0	2828	6971	717	0	719	1000	1278	0	0	0	0	919	761	0	0	3693	0	0	0	779	0	0	799	0	1019	718	0	0	0	2757	0	0	0	0	0	0	0	0	818	1495	4690	0	4901	865	3806	0	0	0	0	0	1596	4549	4289	6026	9395	0	0	0	0	0	0	0	0	0	0	600	619	9301	0	0	0	0	9855	2310	0	0	587	2237	24962	9619	1577	1166	0	0	0	0	1049	0	910	0	0	0	0	0	5269	0	465	1757	Lipid	0.57894737	1.9473684	0.05263158
2	C20 H33 O7 N5	456.24527	456.2461	0.108505845	456.24533	1159	946	0	542	0	0	0	0	0	0	0	374	0	0	581	0	0	0	0	0	0	0	491	0	0	0	0	6004	1219	0	0	516	806	0	0	467	1180	393	991	0	0	0	0	0	0	0	0	0	959	567	772	0	414	0	647	218	0	1187	0	0	0	0	399	449	0	0	0	796	0	0	0	0	0	0	0	0	0	0	426	29146	904	0	0	0	409	386	549	451	348	2330	16706	6778	1628	1769	0	0	1499	859	0	0	262	760	0	345	0	1707	0	0	900	405	Peptide	0.35	1.65	0.25
14	C23 H37 O8 N1	456.2592	456.25977	-0.08209071	456.25916	8530	6833	11412	10479	4686	5250	9464	15991	4425	6036	1566	6821	4777	4040	11475	20253	14429	5362	7301	8426	9180	9139	12842	15051	13068	5271	10731	0	17792	13767	12668	16190	15976	11924	8882	22952	12501	12918	18282	3478	3138	7151	0	0	0	8274	7562	0	16138	14076	11634	8256	5123	0	8327	7966	4422	20947	0	6137	0	1507	5054	5490	4315	6501	4270	15486	0	5843	4674	9807	12910	20472	18244	12681	0	11175	9914	0	7599	3891	7138	3293	6433	5220	16658	4235	7267	17455	15560	8491	20907	0	7280	0	11007	13180	3913	7221	6558	20909	9399	23600	0	11449	8972	0	9378	5953	Lipid	0.3478261	1.6086956	0.04347826
26	C23 H37 O8 N1	456.2592	456.2597	-0.12813586	456.25912	13301	12201	16151	14054	18259	11304	9566	14091	17027	23162	11363	7178	24059	8192	16269	12229	0	27432	29285	26688	21252	19136	16070	21231	14354	15037	5595	13486	20885	13494	12317	10286	18241	12022	34959	15677	25729	12673	8201	21415	6740	10208	0	0	0	12185	6571	0	13720	11864	15582	12541	15099	0	31320	17864	5844	16269	13527	3737	19987	9457	25984	17250	5769	19799	17546	7553	14369	29458	17191	17704	16893	18652	7771	10691	0	15145	15817	0	11889	6997	12103	10145	14551	13858	13902	7334	9395	8938	27992	32347	21753	8630	7531	0	15950	12859	10687	15154	12013	17166	7688	11555	9724	15079	13023	0	13340	22692	Lipid	0.3478261	1.6086956	0.04347826
16	C23 H37 O8 N1	456.2592	456.25977	-0.13641268	456.25912	24028	22161	23858	25243	15740	14562	25872	45351	18483	13421	12121	22275	21223	11620	31628	47987	40091	26502	27499	31975	21148	19973	34954	44238	28714	16547	32919	13563	37982	46403	30989	38405	37498	24911	14339	48086	38411	23648	29724	13446	12498	22086	786	0	0	22549	21160	0	34893	38286	28648	24931	21966	264	22323	22803	11305	37473	14849	20708	35177	6755	19980	21422	13685	17496	23380	36715	18113	18786	15517	26156	27947	38418	40586	29186	0	24851	25711	11453	20375	15283	17935	12783	28367	19385	32300	13184	21933	34897	33541	29370	53745	10994	26625	0	26044	34272	12733	22015	29594	42643	16739	37488	12979	31167	24826	0	29641	16348	Lipid	0.3478261	1.6086956	0.04347826
22	C22 H37 O7 N3	456.27042	456.271	0.20020652	456.2705	1392	0	1363	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1345	0	0	0	0	0	0	0	13051	0	0	96778	9059	0	1559	0	0	0	2144	0	0	0	0	0	0	0	0	0	0	0	1357	0	Peptide	0.3181818	1.6818181	0.13636364
14	C27 H37 O5 N1	456.27444	456.27502	0.008103612	456.27444	8082	6793	10690	5219	0	0	8895	7294	0	3869	2766	4497	0	1245	2737	35819	1853	0	3265	5028	4649	0	2377	4878	70778	7327	8324	0	5216	4610	24823	8681	176097	5327	4528	5486	443701	1587	2047	2133	0	2190	0	0	0	1837	0	0	8514	5339	8854	6861	0	0	0	0	648	15022	0	0	18756	0	0	0	857	0	1512	5892	0	4132	2704	5167	4975	10967	4871	6463	0	6822	0	0	1455	0	0	1869	0	0	1230	2979	2124	10837	0	0	19142	0	2822	0	7370	8916	0	0	0	145527	3195	0	0	55836	0	0	6604	0	Lipid	0.18518518	1.3703704	0.037037037
22	C27 H37 O5 N1	456.27444	456.27493	-0.16070805	456.27438	5639	9474	6624	5707	6029	2999	7145	5554	3435	7619	11526	5976	0	0	3627	10993	17510	2800	5515	11547	8880	4475	4356	11056	5136	26536	10053	10968	8687	9750	5955	14459	9088	7993	5265	7682	9002	5843	14162	8169	10951	3502	0	0	0	0	7877	0	7278	9305	6732	8388	6927	0	3514	2327	3307	7917	3443	8812	7867	4274	1782	2437	2824	2891	2905	20756	18490	11518	16314	7283	7120	7140	11702	9534	0	5865	5071	7221	4275	2494	2463	8081	5232	4531	8237	7335	3352	17465	6131	9227	9118	6194	4994	0	4531	5426	0	1283	0	19070	6452	7503	3396	13597	5159	0	7082	3626	Lipid	0.18518518	1.3703704	0.037037037
12	C27 H37 O5 N1	456.27444	456.2751	-0.044980332	456.2744	3393	0	1457	3056	0	0	0	6060	0	0	3269	7899	0	0	3168	5699	1790	0	1559	6264	4776	0	2471	3666	5819	4554	1973	0	6867	5182	4390	4048	9658	2716	2683	2823	9564	1978	0	2375	0	2778	0	0	0	0	0	0	7147	4169	1326	3814	0	0	0	0	1553	2960	0	0	0	0	0	0	0	0	2674	9900	0	2613	1714	2861	1633	3037	3312	3541	0	4465	2307	0	0	0	0	2139	0	0	2947	0	1962	11056	4943	0	9344	0	2241	0	1718	3157	0	0	0	7494	6726	0	0	21408	0	0	1845	0	Lipid	0.18518518	1.3703704	0.037037037
16	C27 H37 O5 N1	456.27444	456.27505	-0.08924545	456.2744	2094	3618	1548	2384	0	1776	1368	3554	0	4385	3258	4208	0	0	1430	5172	2537	0	0	4190	3838	0	0	3135	4884	4277	3189	4948	2663	5002	6213	3710	13361	3443	0	2134	18838	2101	2545	0	0	1237	0	0	0	0	0	0	5316	5266	2245	2230	0	0	0	0	1011	5742	0	0	0	0	0	0	1083	0	2294	5893	5216	4809	3808	2969	2952	2910	3131	3696	0	5404	0	0	0	0	0	0	0	0	0	2184	0	0	5213	0	0	1317	2727	0	3721	2381	0	0	0	11425	3515	0	0	22950	0	0	0	0	Lipid	0.18518518	1.3703704	0.037037037
16	C20 H41 O10 N1	456.28033	456.28094	-0.15052027	456.28024	0	0	1555	0	0	0	0	0	0	0	1365	1077	0	0	0	0	0	0	0	0	2463	0	0	0	0	0	1168	0	0	0	0	0	0	0	0	0	0	0	1837	1480	1412	0	1969	2157	1483	0	0	2224	0	0	0	0	0	1668	0	0	1154	0	2958	0	0	0	2271	0	14652	1596	0	0	0	0	2016	0	1527	0	0	0	1857	1057	0	0	0	0	0	0	0	6620	0	1857	1302	0	0	0	0	0	0	1153	0	0	0	0	0	0	0	0	35795	0	0	2480	0	0	Lipid	0.5	2.05	0.05
20	C20 H41 O10 N1	456.28033	456.28094	-0.12990406	456.28027	0	0	0	2023	2684	0	0	0	0	0	0	0	2333	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5387	1201	2411	774	0	0	1631	0	0	0	0	0	1501	0	0	5206	0	0	0	1553	0	2157	3421	30261	12755	35731	0	1130	0	0	0	0	0	0	0	987	0	0	0	0	0	0	0	0	11783	0	0	0	0	0	0	0	0	0	1644	0	0	2408	0	0	0	0	0	14336	0	1303	2021	0	0	Lipid	0.5	2.05	0.05
4	C21 H37 O6 N5	456.28165	456.28226	-0.17540768	456.2816	1010	857	0	477	372	3198	0	0	0	0	0	0	0	0	0	0	0	458	0	0	0	0	0	0	0	0	0	10381	0	0	332	0	0	0	0	0	393	0	0	0	0	697	0	0	0	0	0	0	0	0	1183	1138	387	0	0	0	1757	0	0	0	0	0	0	0	0	345	1708	0	0	0	0	0	0	0	0	0	0	0	0	194960	0	0	0	0	559	0	0	0	0	417	56264	14452	0	5833	0	0	765	781	0	0	0	0	0	0	0	380	565	0	0	0	Peptide	0.2857143	1.7619047	0.23809524
10	C21 H37 O6 N5	456.28165	456.28214	0.0534391	456.28168	0	1503	1045	1540	0	1206	0	0	0	0	1357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16855	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1700	1073	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	118217	0	0	0	0	0	0	0	0	0	0	190284	37101	0	11119	1953	0	0	1153	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.7619047	0.23809524
8	C21 H37 O6 N5	456.28165	456.28226	-0.1573685	456.2816	3709	3868	2275	2469	0	1410	0	0	0	0	2186	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49444	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1569	3592	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	561992	0	0	0	0	0	0	0	0	0	0	284294	102839	0	26124	2106	0	2545	3297	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.7619047	0.23809524
6	C21 H37 O6 N5	456.28165	456.28235	0.044222802	456.28168	1586	2449	3338	1698	0	4960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43552	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2217	2084	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	270149	0	0	0	0	0	0	0	0	0	0	229216	73785	0	17655	2764	0	4573	3509	0	0	0	0	0	0	0	0	476	0	0	0	Peptide	0.2857143	1.7619047	0.23809524
28	C29 H38 O2 N1 Na1	456.2873	456.28766	0.149702	456.28735	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23497	0	0	0	0	0	4061	0	0	0	0	0	0	0	0	0	0	0	0	0	18437	0	0	1982	1149	0	0	0	0	0	0	11025	0	0	0	0	0	0	0	0	0	0	56609	0	14533	0	0	0	0	0	0	0	11471	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1091	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.06896552	1.3103448	0.03448276
10	C24 H41 O7 N1	456.2956	456.2958	-0.14660278	456.2955	0	0	0	0	0	0	0	0	0	0	0	914	0	0	0	1828	0	0	0	0	0	0	0	0	2145	0	0	0	1929	1202	2027	0	0	0	0	2844	1436	0	0	0	0	0	0	0	0	0	0	0	2850	1047	0	0	0	0	0	0	0	2088	0	0	0	0	0	0	744	0	0	0	0	0	0	1272	0	1289	0	1348	0	994	0	0	0	0	0	0	0	0	23735	0	0	9229	6327	0	0	0	0	0	0	0	0	0	0	0	888	0	0	0	0	0	2633	0	Lipid	0.29166666	1.7083334	0.041666668
26	C24 H41 O7 N1	456.2956	456.29608	-0.14616722	456.2955	12525	12446	11119	10372	15670	8580	33777	8465	13829	7254	5918	0	18905	12818	8695	5738	7888	22713	38842	12611	8106	8930	5273	6999	17742	5583	21424	17445	16206	13389	10845	13930	19463	14936	16323	12391	23301	7061	6853	10937	4353	5831	0	0	0	7681	0	0	13349	6503	12837	12369	15014	0	20677	11420	11527	15880	18179	0	14775	10746	17355	10542	9671	28231	26244	6984	0	8661	3612	7079	11929	14183	0	9032	0	6652	10379	5410	4578	5574	16926	9387	15971	9740	20530	9218	10681	7683	34456	39269	19471	6222	8254	0	11408	12573	6841	11388	11923	19491	6611	11356	26989	12077	9267	0	7812	18143	Lipid	0.29166666	1.7083334	0.041666668
22	C24 H41 O7 N1	456.2956	456.29605	-0.1411752	456.2955	11574	15059	15138	16258	14190	11075	71374	13616	8326	8347	5501	7811	9664	10518	16664	16330	15126	13869	22375	6880	5699	7277	12016	13276	11144	12827	49881	7726	19949	15207	13125	14213	19585	17693	5129	21854	19221	12946	20698	3978	5426	9932	0	0	0	6738	5644	0	17261	13201	13135	12825	10779	0	17972	13505	7373	19623	7379	5981	20776	1135	17967	12066	9221	17658	12112	14593	0	3339	2516	8920	13646	14291	14936	12092	0	9152	8835	8039	7408	5533	50978	34148	14097	10065	18031	10250	11771	15912	23523	23346	17195	4367	7341	0	14792	16866	6947	11019	10891	21579	8415	11476	8073	13367	11098	0	8114	10541	Lipid	0.29166666	1.7083334	0.041666668
22	C21 H45 O9 N1	456.3167	456.31735	0.028807407	456.3167	0	1522	0	0	0	2103	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1648	5485	0	0	4415	0	0	0	0	0	0	1704	10716	31701	125469	0	0	0	0	0	0	0	0	0	0	0	0	2693	0	0	0	0	0	2556	0	2095	0	0	3377	0	0	0	0	0	1544	0	0	0	0	0	0	0	13734	0	0	0	0	0	Lipid	0.42857143	2.142857	0.04761905
24	C25 H45 O6 N1	456.33197	456.3322	-0.114994116	456.3319	0	1054	927	1456	917	1150	42180	0	0	1229	0	0	0	8861	0	0	1833	0	0	0	0	0	0	1291	0	4033	35235	2358	0	0	0	0	0	0	0	0	0	0	2248	0	0	1599	0	0	0	0	0	0	3069	1824	971	0	1099	0	0	0	0	1608	0	2833	4643	0	1340	0	1626	2290	2003	1778	0	0	0	0	0	0	2292	3538	0	0	0	1527	0	0	7048	6166	0	0	1519	1621	0	2702	8707	3173	0	0	0	0	1498	0	0	0	0	1243	0	1718	0	0	0	0	1371	1304	Lipid	0.24	1.8	0.04
26	C25 H45 O6 N1	456.33197	456.33218	-0.07572023	456.33194	1946	0	0	1810	0	0	61308	0	0	0	2642	0	0	7340	0	0	0	0	0	0	0	0	0	0	0	0	42997	4751	0	0	0	0	3364	0	0	0	2432	0	0	0	0	0	0	0	0	0	0	0	4703	0	0	3419	3285	0	0	0	0	0	2840	0	0	0	0	0	4374	4194	6117	3118	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7207	5285	0	0	1983	0	0	2914	6742	4654	0	0	0	0	3069	0	0	0	0	0	0	0	6703	1574	0	0	0	2152	Lipid	0.24	1.8	0.04
22	C21 H12 O12	457.04016	457.0407	0.017742576	457.04016	7788	3809	2820	4793	11761	6366	2099	0	18117	0	0	2895	17916	6297	1996	2318	0	19628	19614	0	0	6825	7883	0	1289	0	2401	0	1526	0	0	0	2574	0	1901	0	2405	2290	3494	0	2776	5444	0	0	0	1551	6384	0	1501	0	2901	6089	10285	0	16713	15005	6412	2214	1251	0	2338	1056	23106	16574	6251	19562	5177	4604	0	0	0	0	0	0	0	0	394	2559	11173	3960	7045	4157	0	0	19506	9847	9912	5383	8205	3954	0	0	2758	7141	3645	0	3843	3360	14365	20072	20673	3456	1774	0	2774	2471	11107	0	3286	23677	Phytochemical	0.5714286	0.5714286	0.0
28	C21 H12 O12	457.04016	457.04065	-0.027576597	457.04013	9051	8836	8327	8618	20046	7984	4332	2723	16933	3213	0	2858	29913	11075	4227	4164	0	31983	30182	2115	2072	7454	9586	5277	3719	0	3387	0	0	0	2512	0	4671	1572	3050	0	5599	6104	2491	1888	1763	3742	0	0	0	2536	3320	1298	1337	0	9077	9881	13109	0	23616	15635	6646	3319	1109	1578	2915	1166	35618	19305	6562	26754	7950	3057	0	0	1902	0	0	0	0	0	0	1779	17672	2728	15964	1196	1022	0	30922	12390	13355	7291	8297	5735	1179	1697	5451	6600	6671	0	9587	7795	12846	21506	25816	4989	1820	0	0	2856	12998	0	3564	30713	Phytochemical	0.5714286	0.5714286	0.0
18	C21 H12 O12	457.04016	457.04086	0.07969942	457.0402	4989	2570	1855	2497	9068	6040	0	0	9146	0	0	1386	16471	2147	0	0	0	9821	8553	0	0	5102	1739	0	0	0	1754	0	0	0	0	0	0	0	0	0	0	1605	0	0	2313	1170	352	0	0	1588	2483	584	0	0	2448	2592	4567	0	5475	7664	3767	0	0	1762	2241	1538	27297	11520	3916	12561	3518	0	0	0	0	0	0	0	0	0	274	0	2892	3447	5216	2955	0	0	18146	4495	0	4694	3418	2178	0	0	0	8097	4814	0	3986	0	5614	17989	13108	0	0	0	1843	0	4177	0	0	14985	Phytochemical	0.5714286	0.5714286	0.0
24	C21 H12 O12	457.04016	457.04068	0.02061744	457.04016	5176	5284	5451	3294	14230	8361	1819	1210	16169	1642	0	2443	18096	5511	4305	4242	2604	24736	19135	0	0	8355	6083	0	2080	0	2521	0	0	0	0	1103	3038	0	2998	0	2383	3277	2718	0	0	4217	0	0	0	1480	4041	2023	1539	1335	4613	4371	9655	0	18657	14345	5870	2362	0	1968	1164	1028	32094	14428	6684	21735	4104	2677	2114	0	0	779	0	0	0	0	0	2650	12872	3036	12413	1544	1614	0	20825	9168	5761	6369	8216	5202	0	0	2180	7607	6454	0	4564	5258	10251	17900	21354	1865	1679	1375	2827	2855	11822	0	2109	23865	Phytochemical	0.5714286	0.5714286	0.0
20	C21 H12 O12	457.04016	457.04077	0.05094608	457.04016	2336	6124	2625	3199	10333	3814	0	0	17714	0	0	1404	24334	4596	2307	4975	1465	15696	10745	2202	0	6925	3161	0	0	0	1848	0	0	0	2401	1575	0	0	2916	0	2251	2484	0	0	2397	4438	0	0	0	0	5368	956	0	0	2477	7977	8305	0	9241	14235	5956	0	0	2318	2783	1706	19792	17365	6029	19145	4520	2223	0	0	0	0	0	0	2248	0	338	1275	7049	5242	5998	1618	1129	0	20103	7547	3443	6889	6567	5242	0	0	0	9406	4103	0	3399	2590	9461	23373	20184	2804	1779	1811	2901	2203	15009	0	1254	23210	Phytochemical	0.5714286	0.5714286	0.0
26	C21 H12 O12	457.04016	457.0407	0.035188943	457.04016	8033	3749	6608	5912	20324	10965	0	0	18669	1960	0	3965	31734	10660	0	5294	0	27687	31569	0	0	5062	8017	0	0	0	0	0	0	0	0	0	3099	0	0	0	2790	5976	0	0	0	0	0	0	0	0	0	0	0	0	5991	5142	12261	0	20813	20385	6146	2392	0	0	0	0	37257	19898	4890	21318	6290	2628	0	0	0	0	0	0	0	0	0	2569	16718	0	14124	0	0	0	24609	9973	9645	6928	6054	2286	0	0	9023	6010	7803	0	6366	5372	13230	18851	21745	6418	0	0	0	0	16173	0	2482	28980	Phytochemical	0.5714286	0.5714286	0.0
28	C22 H16 O11	457.07654	457.0771	0.004858466	457.07654	9386	8465	8746	7521	16826	8454	2647	0	15802	12813	2365	1632	32221	10743	4715	2904	0	24042	24618	6109	7449	17564	5683	3631	3619	2416	2413	0	0	0	1917	0	3794	0	18370	0	2432	4111	1476	4447	5117	3821	0	0	0	4190	6779	0	1570	0	9127	8020	9319	0	21171	13511	6379	1777	2511	1665	2820	4795	27550	17288	5642	18817	6289	1020	4995	5641	7891	0	1039	0	0	992	0	0	12518	9847	11620	3824	2591	2124	25293	12032	10313	5269	6667	4072	3390	4975	5346	17396	29524	0	8723	8167	9946	17693	17718	2649	1995	3324	4158	3357	13708	0	3527	26957	Phytochemical	0.5	0.72727275	0.0
16	C22 H16 O11	457.07654	457.07715	-0.006936944	457.07654	28214	30631	23946	30756	45627	22895	4454	4458	48743	58328	33002	4304	46141	17384	6706	9753	6198	46959	45670	38066	42304	65954	13902	6858	4585	17210	4830	15494	4023	0	2020	0	9026	3291	93551	1821	7864	6551	4614	20115	29971	8912	1318	0	279	32151	49640	449	3467	1529	29766	31571	24631	0	40172	38878	18647	7104	7328	7059	8754	17207	80936	40741	17074	44314	16610	5676	22321	30558	28646	3639	0	0	2403	3344	0	4691	26756	55829	19251	36332	5844	14028	52522	21672	23410	11745	15491	0	4353	8909	0	70355	63781	0	20120	20168	34250	53210	45570	4553	4571	5909	27590	0	36489	0	4507	65177	Phytochemical	0.5	0.72727275	0.0
20	C22 H16 O11	457.07654	457.07712	0.04023366	457.07657	31517	25035	23436	22687	45431	20431	5483	5928	51421	56256	24860	6757	82031	24484	11857	6091	7218	64590	59156	32022	35943	66409	13416	9432	7208	13208	8482	14871	2659	1330	4324	1373	9558	3684	62632	2695	14990	9535	5307	17706	22597	11653	1942	0	333	27441	46281	1180	3701	2442	24980	24182	29190	0	49334	48825	21444	9512	11789	8672	5351	23009	83627	49012	21936	56407	17483	6201	19544	21449	25258	2835	1565	0	2090	1680	690	7349	33723	42089	24026	31104	6114	12954	58221	30948	23851	13418	16922	12523	9613	13126	9682	67871	57341	0	25397	22790	40957	52539	51042	8115	5642	9369	34190	7395	41840	0	7896	82631	Phytochemical	0.5	0.72727275	0.0
12	C22 H16 O11	457.07654	457.07733	0.1340662	457.0766	9611	7304	6639	9114	9928	4342	0	0	13342	18451	16849	1203	11488	3341	1806	1995	0	9629	10374	11671	11710	20714	2792	0	1217	3017	1227	0	0	0	0	0	1698	0	26637	0	1555	2204	0	5064	16624	2908	0	0	0	7313	22341	0	0	0	5275	7359	5786	0	12296	11916	5090	2272	0	0	0	3120	27729	8445	3554	14799	5084	0	0	7181	13134	0	0	0	1120	0	0	1211	4586	0	5246	9343	0	2906	12342	6395	6685	3583	2821	4887	0	0	1817	23602	17345	0	5280	6275	12654	16483	16592	2485	1804	2540	0	1521	9414	0	0	16177	Phytochemical	0.5	0.72727275	0.0
22	C22 H16 O11	457.07654	457.0771	0.006839602	457.07654	18155	18625	21939	19116	36685	20121	5230	1922	38676	27686	11006	5465	52091	17284	9780	6244	2965	42031	37946	24793	29070	44918	16549	4763	6602	10116	3910	3852	1264	2287	1386	0	5721	1725	38695	0	11717	7982	2653	12519	13774	7993	0	0	428	16404	24298	0	2967	0	20765	17186	24739	548	44543	35690	15780	7454	5256	3699	5386	12000	64505	36157	11690	38316	12671	2684	8737	9455	18012	2410	1409	0	0	1285	651	4283	26125	27467	20581	17595	5956	6153	51559	28191	16924	10985	14161	6049	6581	4660	5301	47680	53948	0	17402	17558	27770	41340	39085	8857	5411	3117	16868	3308	33990	0	6925	60247	Phytochemical	0.5	0.72727275	0.0
24	C22 H16 O11	457.07654	457.07706	0.044670396	457.07657	13137	13261	9087	11566	27092	12530	3202	0	24829	27364	9262	2444	43858	12738	5154	3398	1541	36406	26610	15075	8619	29180	11489	6091	3532	6175	2702	1992	1948	0	2496	1755	4583	2531	22246	1142	5894	4842	1640	7656	8792	5092	0	0	0	7003	16060	0	2369	1414	14828	12929	14570	0	34571	24732	10816	2199	2839	3472	3367	5066	41798	29101	11109	24399	9092	3549	7256	11332	11584	852	0	0	0	1262	0	2576	19951	19014	15677	9970	2324	4698	37096	15108	13522	6608	9018	3293	5880	7143	6281	39853	37376	0	9706	9186	17625	25097	30020	2530	3432	3999	10413	4787	20789	0	4808	44838	Phytochemical	0.5	0.72727275	0.0
14	C22 H16 O11	457.07654	457.0772	0.052253757	457.07657	15031	16027	13634	20513	27399	11086	0	2948	30798	39576	29947	4109	33216	9568	4712	5245	0	26802	23185	30234	36067	62380	6352	5293	3052	14104	3022	0	2166	0	1648	0	4079	2373	56914	0	3045	7033	1675	9647	20612	6702	0	0	0	19284	44271	0	2519	0	13351	17697	15053	0	23303	28315	11142	4023	0	0	0	11942	50661	27112	11411	35828	6884	3844	19659	12526	25766	1436	1346	0	0	1221	0	2703	15497	30377	10416	21663	2048	7092	24478	13776	10625	10866	10450	6661	3181	4585	5219	60315	35366	0	10507	15601	27863	36450	32793	5441	4862	0	19914	5314	23835	0	3700	29856	Phytochemical	0.5	0.72727275	0.0
26	C22 H16 O11	457.07654	457.077	-0.036001936	457.0765	11741	10758	8865	8977	21418	11045	3190	0	19458	16989	2375	0	37326	9009	0	0	0	31143	22025	11070	12086	23424	8643	0	0	0	2421	0	0	0	0	0	2473	0	23316	0	2597	4101	0	5340	5469	0	0	0	0	6341	10145	0	0	0	11209	9750	12841	0	27202	20871	7929	2843	0	0	0	3473	39263	26100	6504	23094	4509	0	0	9126	9090	0	0	0	0	0	0	2843	14709	14415	14027	5633	0	2986	26097	14592	10837	4611	6734	2341	3151	3476	4509	24662	31614	0	10863	11925	12012	23494	17909	0	0	0	0	2245	15819	0	3033	38868	Phytochemical	0.5	0.72727275	0.0
16	C21 H16 O10 N2	457.08777	457.0884	0.084819525	457.0878	8015	4950	4500	5731	6264	2586	2013	0	10917	15361	9204	1282	12600	3243	0	1926	1731	9250	5871	9114	19407	28850	2394	0	2088	1948	1462	3433	0	0	0	0	1991	1333	22237	0	4293	2147	2695	12684	20858	1814	397	0	0	14459	22977	0	1864	0	4255	9551	3354	0	8908	5641	3247	0	1242	2273	0	10516	18253	8603	2899	5313	3186	1736	6325	4496	13552	0	0	0	0	2231	0	0	7253	19610	5870	11921	1053	6196	10310	3856	6984	3660	3031	0	4273	3964	0	24855	21808	0	6269	4721	4248	10068	11089	2169	0	0	11332	0	3031	0	1569	12483	Phytochemical	0.47619048	0.7619048	0.0952381
18	C21 H16 O10 N2	457.08777	457.0884	0.10386423	457.08783	7399	4495	7071	5809	5795	4843	0	1951	8863	15514	4721	1526	11826	3928	0	2207	2248	5842	7877	2396	11365	23662	2972	1679	0	2315	1550	4948	0	0	0	0	3054	0	17610	0	3214	2705	1891	8879	16117	2902	383	0	0	12343	18803	0	2013	0	4841	4807	4560	0	11231	4628	3436	2246	1571	1829	2107	11555	18529	6849	3455	7569	2557	2657	2504	5671	8626	0	0	0	1342	0	0	1049	5980	20771	3552	11331	1763	5179	7742	3414	3470	3900	1545	4465	3989	3328	2263	27719	24965	0	8670	4795	5191	6722	8176	1892	1182	2410	9097	1705	5714	0	0	10599	Phytochemical	0.47619048	0.7619048	0.0952381
20	C21 H16 O10 N2	457.08777	457.08838	-0.09894429	457.08774	5506	3378	3081	4852	4451	2473	0	0	5428	13866	4274	1737	6372	2230	2935	0	0	7259	4514	4609	8660	13510	2219	1670	1384	2655	0	2339	0	0	1289	1521	5699	0	15663	0	0	2401	2033	6046	14552	1862	0	0	0	10747	17334	0	1555	1361	5003	4552	2020	0	4210	4719	1526	0	1108	887	1872	4694	11109	7049	2258	3113	2728	1952	2209	2149	3669	0	1117	0	0	0	0	1018	4307	12652	2083	7175	1131	0	5747	2259	5812	2170	2367	3068	0	0	0	21784	16311	0	4726	3965	1649	3720	4656	3263	1338	0	7906	0	1876	0	1812	12611	Phytochemical	0.47619048	0.7619048	0.0952381
14	C21 H16 O10 N2	457.08777	457.0886	0.18347894	457.08786	15134	10817	0	14628	16962	8077	0	1721	16809	40994	18781	2526	27298	6790	3060	0	0	7484	15662	16626	31664	35900	3788	4760	3880	5122	1398	0	0	1215	1511	0	5572	1310	47452	0	2988	3903	3754	23247	54356	4175	0	0	0	27021	49294	0	2328	2060	13362	8125	7266	0	19442	20451	6174	3051	0	0	0	27890	36146	25961	7974	27972	6969	1520	0	11852	23640	0	0	0	4841	1189	0	897	9128	0	6936	23818	4609	6626	22773	7060	10475	3662	4872	0	0	8637	7059	49244	37347	0	7708	16128	1756	18876	15598	0	1518	3904	0	7957	11224	0	3534	28936	Phytochemical	0.47619048	0.7619048	0.0952381
6	C21 H16 O10 N2	457.08777	457.0887	0.07602896	457.0878	923	0	0	0	623	34690	0	0	460	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	762	0	0	0	0	0	0	1310	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	807	0	0	0	0	0	856	0	0	0	0	0	0	0	0	0	672	Phytochemical	0.47619048	0.7619048	0.0952381
10	C19 H20 O13	457.09766	457.0984	0.07581877	457.0977	23188	23694	20730	15850	33698	18332	4295	8618	48614	21552	22990	15645	71127	12470	11846	13655	11833	40755	45422	15869	22991	36577	19606	12886	1574	0	6034	4393	6323	6446	5944	6543	12247	4886	26024	8878	12786	12524	10700	7766	20063	17174	0	0	0	11656	40294	0	6366	6911	27532	21158	23115	0	50304	45180	18518	9583	7743	13584	9892	13233	86030	49435	23555	46307	16342	15881	0	2090	7791	9506	5212	5031	9859	6161	0	9990	22684	20661	17614	13981	2649	1697	50362	17863	17588	20200	18743	17099	3957	9609	8683	44514	26887	0	21138	25082	40638	54694	47581	14862	9523	7019	26490	14934	33861	0	6055	76791	Phytochemical	0.68421054	1.0526316	0.0
14	C19 H20 O13	457.09766	457.09836	0.08823249	457.09772	38239	36522	35545	37303	66420	45999	8457	15803	110087	20919	36316	20613	138566	26469	24775	12238	12623	92428	80299	20661	52474	74048	34679	18823	5530	1911	8110	0	10290	10514	14984	11074	27179	10896	50721	9121	19876	20786	13840	21469	35857	32552	0	0	0	41856	92410	0	8615	12405	38989	30518	47429	0	97508	68570	32098	11932	16166	14583	0	30190	163754	105777	28245	81003	46947	15764	0	0	12423	15148	12696	7303	9837	9147	0	19402	32005	28420	26530	54778	6254	5021	67393	28780	23139	31157	37567	10367	6143	20833	29140	72327	35994	0	41288	35182	62155	67954	55303	19760	21531	12025	69515	21745	50840	0	7014	133899	Phytochemical	0.68421054	1.0526316	0.0
20	C19 H20 O13	457.09766	457.09836	0.19728209	457.09775	8812	5654	8137	12746	14035	7521	1648	2153	19221	32808	30480	2047	13768	4753	5189	0	3604	14710	18627	24601	23778	29984	4201	2347	4157	29230	1564	13997	2973	0	3084	2685	3645	2390	34994	0	5285	3939	2615	31518	19773	3737	653	0	0	23379	34958	0	0	3105	12176	9416	7508	0	13846	15699	4050	6216	5009	4381	2395	12378	20610	12478	4782	12563	10620	2774	25145	22366	70716	2487	2118	1663	4461	0	0	2375	6853	28607	4276	20799	4508	14048	15552	4670	3093	4094	7490	3672	11122	14366	3543	51244	32570	520	10897	8226	16283	12298	8957	3344	4014	5691	35271	3956	10996	0	1446	21969	Phytochemical	0.68421054	1.0526316	0.0
12	C19 H20 O13	457.09766	457.0984	0.07655419	457.09772	35777	35768	38016	36126	59653	32460	15580	10230	77951	23686	34009	18632	102266	16508	17456	17814	20495	70387	70800	29660	43943	62988	31634	15074	3298	2203	8925	0	7642	9221	11245	13088	22097	9005	45216	8640	19463	22985	14829	16827	39758	29149	921	0	0	25130	78286	0	11218	16523	39664	35433	41171	0	69261	64871	32069	13806	15723	14872	16085	22778	148958	82521	24295	75500	33858	25353	0	6188	13480	13681	9167	9643	12349	7614	0	20390	28155	29531	24530	34349	5712	5825	64526	22536	25518	24347	30165	15406	5308	17324	24167	72570	32882	0	43531	33851	70761	71044	62336	24935	20321	11305	51743	19487	51219	0	7463	151430	Phytochemical	0.68421054	1.0526316	0.0
22	C14 H25 O13 S1 Na1	457.09863	457.09915	0.22382277	457.09872	6375	6374	4499	8195	10022	6714	0	0	5916	38516	15309	0	9821	0	1474	0	0	0	6966	10829	9199	22482	4911	1380	1806	24382	0	13220	1252	0	1331	0	2198	0	26465	0	1576	2248	0	15888	15570	4287	0	0	0	15350	27726	0	0	1297	6701	8354	3453	0	8094	5597	2659	0	3550	0	0	10389	9998	7601	0	7941	2387	0	22341	29776	34452	0	0	0	1089	0	0	1623	0	15590	3680	15619	1284	18222	5146	5416	5739	2239	2804	2939	5676	9419	0	34322	35073	0	0	7549	6555	7728	3034	0	1430	2454	23019	0	7881	0	2114	14250	Organosulfur	0.9285714	1.7857143	0.0
6	C18 H20 O12 N2	457.1089	457.10983	0.13538773	457.10895	4176	5370	4752	6291	5775	5262	0	3885	12150	0	3762	3084	20955	0	1911	0	5937	8982	12267	3453	6117	8436	5292	3915	0	0	0	0	3915	2799	0	4185	0	0	5745	3084	3660	0	6312	1313	4902	7752	0	0	0	0	0	0	0	3477	5325	5580	7296	0	12582	11937	4539	4644	0	4104	3555	0	32196	13968	5001	10395	5523	0	0	0	0	0	2376	0	1923	1995	0	2319	4221	0	2700	1761	0	0	12894	4077	1983	7584	6810	6487	0	0	3900	6318	3450	0	5922	3279	7434	15756	12288	6708	3792	0	0	4950	4395	0	1647	19191	Phytochemical	0.6666667	1.1111112	0.11111111
8	C18 H20 O12 N2	457.1089	457.10977	0.20383207	457.109	18181	17095	16683	25394	24870	9360	6156	6795	34082	12286	19160	15644	36162	0	9274	8313	20846	42412	30862	17224	31430	29953	12394	9803	0	6750	6493	0	3936	5529	9784	7832	15140	4386	35882	11674	18962	6833	12325	9986	35418	19258	0	0	0	18142	38162	0	5952	13047	22611	25288	16434	0	34103	28233	17787	11079	6453	17311	0	16471	66588	41216	15945	22813	14399	23253	8522	8704	20768	9048	9758	0	11808	7038	0	7818	12729	0	13681	12754	2951	3198	35743	0	12336	24101	19485	27748	0	0	16430	21098	19902	0	20257	16693	18880	23170	42887	11970	1870	10836	0	15870	24991	0	8088	56923	Phytochemical	0.6666667	1.1111112	0.11111111
16	C23 H20 O10	457.1129	457.11356	0.010773883	457.1129	79620	76252	64863	65752	82482	37914	21113	23154	92729	252001	137630	21454	96542	40414	31188	28905	20366	98555	96424	162506	150439	129756	38052	26855	18958	136192	21333	88094	14853	17263	17155	22328	24654	15921	319486	18499	27295	23855	21194	99762	88719	23943	2254	0	0	108760	125317	0	25183	16382	66500	71910	48860	0	81399	69626	35074	38748	30004	22924	25033	61974	130121	67037	31470	82285	40716	19552	120705	182314	167774	19339	13323	11467	16115	20753	0	19717	61421	108253	42932	102143	20601	67341	84289	41586	59257	29775	32716	0	41477	45674	41177	128098	159792	0	74869	63253	75791	72889	72759	26975	17512	26983	80228	30346	61023	0	28717	98619	Phytochemical	0.4347826	0.8695652	0.0
26	C23 H20 O10	457.1129	457.11343	-0.05805676	457.11288	13127	14314	13880	10090	24354	13358	1785	0	21380	33178	11015	0	32770	11791	6808	7880	0	23542	19730	16776	17680	26576	7648	0	0	15743	2049	9302	0	0	0	0	3325	0	42729	0	3419	5522	2358	15607	9780	0	0	0	0	13701	18334	0	0	0	11924	13203	10171	0	23386	16014	6144	0	2791	0	0	9571	39651	23296	7091	23985	8621	0	22498	30797	31153	0	0	0	0	2720	0	0	13938	19528	13413	11651	2785	8426	28897	12663	10529	4540	6241	3471	6333	4488	4131	31109	39759	0	11509	10560	16269	23883	25184	0	0	0	6734	2091	17893	0	3636	32313	Phytochemical	0.4347826	0.8695652	0.0
10	C23 H20 O10	457.1129	457.11365	0.067940325	457.11295	7244	8608	6563	8090	6570	4584	2344	2558	9644	27019	16782	3044	6653	3688	3572	5032	4168	5673	6688	14532	18703	13772	4636	4866	1430	15381	1871	10275	0	1940	3289	2346	2460	2634	29789	3104	2040	5833	5874	11956	15134	2533	0	0	0	11965	19501	0	4286	3196	8938	6839	3219	0	7089	6800	4285	4717	2969	6431	0	5577	9186	7759	3977	6490	3678	5123	20519	15478	30409	2486	4337	1952	4496	2718	0	3316	8388	0	5254	10373	4148	5216	10430	2460	5505	4200	2854	7533	0	3756	5173	12473	13241	0	6465	4752	11255	9684	7703	2995	3851	3386	20514	3398	9532	0	4382	9577	Phytochemical	0.4347826	0.8695652	0.0
24	C23 H20 O10	457.1129	457.11343	-0.038918924	457.1129	19923	16218	18616	17802	37050	17803	2307	3608	31201	59440	22501	3663	54455	19912	8124	5272	3964	41185	32386	32587	33879	41546	8903	8592	3725	36863	2861	16423	2207	2797	2979	1725	6582	2899	77071	1732	5292	6634	4652	23392	22028	6121	0	0	0	22097	32578	0	2509	2904	22716	14833	17434	0	37394	30247	11380	6157	4953	3244	5750	19838	57534	33187	17244	38462	14075	1821	32321	53992	47885	3253	2031	2010	2007	2271	0	3341	22590	31951	18494	24570	3887	11660	38964	20917	14188	5665	8307	5443	9629	8680	10146	48318	57101	0	21891	16832	24082	33551	26966	7161	4200	7830	20111	4357	24905	0	7027	43692	Phytochemical	0.4347826	0.8695652	0.0
22	C23 H20 O10	457.1129	457.1135	-0.02118016	457.1129	44474	37722	37573	40007	52804	40358	8183	6013	70741	111941	55188	7530	69826	27538	16730	12791	5889	69539	55525	75898	78214	72332	20211	11375	16221	72006	10175	42917	8800	4516	5844	4918	14619	6847	130356	5454	18606	14409	4996	50870	43635	13870	2910	0	480	54362	62541	0	7971	10362	41402	35018	40681	387	59971	50940	26554	14582	14708	8673	11365	28737	88296	56615	27138	55449	24486	5715	66103	93546	94898	7514	5705	3065	3663	4153	894	7189	36089	51265	31486	53420	9288	38362	75142	34729	29174	15684	21923	8847	24252	23735	15970	73089	91991	0	40860	39813	50136	57242	57725	10708	7238	15096	41129	10893	49122	0	13828	89518	Phytochemical	0.4347826	0.8695652	0.0
14	C23 H20 O10	457.1129	457.1136	0.021010185	457.11295	41006	51141	37700	41513	47619	25723	16302	20715	53430	152652	107219	16593	59598	29289	16374	22964	15655	46951	48067	96581	98035	83773	21912	22611	12316	85661	14945	64293	13520	10844	14358	15115	19896	8867	184087	11917	19049	19770	13016	52134	68330	16311	0	0	0	67116	116786	0	16224	18885	42065	36496	28774	0	41442	30913	20600	26944	22996	21750	0	47090	60446	39843	21324	43991	20646	12665	89925	119074	125214	12436	10588	8123	15620	13484	0	13748	39547	60626	33648	62123	16138	37557	52273	24563	32244	20217	21035	24847	23609	26321	26246	74947	91350	0	42515	41705	44329	44806	44085	17931	14527	22345	57547	18760	35898	0	20174	55592	Phytochemical	0.4347826	0.8695652	0.0
20	C23 H20 O10	457.1129	457.1135	-0.011930848	457.1129	69159	67719	66186	54549	92775	58543	18495	21625	105757	238023	111195	12383	140007	51734	25697	26140	13522	110375	106520	154286	144967	129498	35647	22827	26124	129164	21446	70933	14329	10503	12200	12866	28797	13802	290185	10971	28001	26512	15478	103268	69189	25910	3131	0	455	108208	111257	916	18956	14740	69669	77518	59891	341	91270	74513	44327	25781	26493	12670	26321	72450	147814	87913	40067	106088	47958	11762	117259	167880	165895	19768	10533	4878	11931	11640	698	15841	60745	85394	40894	88705	21092	88410	105188	55742	59252	31456	38159	25689	52647	49935	36086	116565	144628	568	75299	59421	80102	93771	83847	20370	16358	27626	88327	28354	77556	0	18725	146256	Phytochemical	0.4347826	0.8695652	0.0
28	C23 H20 O10	457.1129	457.11343	-0.04456652	457.1129	8745	6939	8006	7505	14671	7167	2111	0	12868	21913	8369	1834	22184	6716	4096	2557	0	16786	17436	12976	12066	14622	5168	3320	3053	11825	2407	5285	2256	0	1458	1013	3101	0	19834	0	3231	2449	1144	7182	11387	3683	0	0	0	10980	11259	0	1387	0	6977	7939	9669	0	16940	11449	3598	1663	2453	2021	3094	5224	19615	14064	4337	15213	6234	0	13000	22317	22493	1756	1511	0	0	0	0	1539	10266	10845	6623	6651	2093	4411	16305	7979	7247	4071	3701	2194	5454	5838	3244	15178	23853	0	8291	7734	10283	13934	16963	2304	2095	2822	5780	1835	8746	0	2789	20163	Phytochemical	0.4347826	0.8695652	0.0
12	C23 H20 O10	457.1129	457.11362	0.04450452	457.11295	19963	27853	21196	24811	20072	8745	6758	8117	20281	69352	55690	6344	23683	10731	5537	9534	7016	17793	21910	43748	42711	44396	11549	10002	5199	41325	8219	20554	4243	6366	7111	7714	8710	5148	82870	7844	11209	7955	12293	26065	35706	7515	0	0	0	39291	53661	0	12228	7536	17158	23523	10020	0	16870	16853	8484	10628	8651	9118	23729	20973	29154	18689	9245	21695	9542	10885	36323	48135	76064	7389	5723	4141	8422	6881	0	6263	17900	0	16455	28876	7177	18714	17617	12206	16791	8449	9241	12607	8267	14137	12733	40069	32059	0	23565	19821	26657	17940	21538	13318	6079	9227	29268	8365	20293	0	8046	21875	Phytochemical	0.4347826	0.8695652	0.0
24	C22 H20 O9 N2	457.12415	457.12463	-0.117790096	457.1241	2568	2555	2942	1348	2658	2445	0	1715	3150	9361	3276	2391	2613	883	2711	0	1493	3647	3384	3195	5305	2900	3253	2072	1802	0	0	1486	0	0	1981	0	2594	0	7487	1263	1883	1705	0	6590	6569	23011	0	0	0	7981	8266	0	1786	1509	1644	2793	2215	0	2223	1301	1536	2101	1201	1165	2879	4407	2439	1650	1775	3482	1817	2437	1884	3041	2239	0	0	0	0	0	0	5004	2024	5284	2119	4331	1463	3006	4296	0	1747	2485	0	2597	1642	4285	2872	9164	7126	0	3839	2483	2274	3023	1840	2975	1803	0	3912	3281	2096	0	1834	4619	Phytochemical	0.4090909	0.90909094	0.09090909
18	C22 H20 O9 N2	457.12415	457.12473	0.03267921	457.12418	21002	20246	18699	14072	14608	9717	5809	5094	16706	54791	25717	3174	23099	7310	4295	7181	4935	22173	25077	27909	40638	44775	8811	11756	9204	18037	8050	17738	5918	3075	7260	4909	11492	0	65649	0	10967	4829	5727	41931	43689	8046	540	0	0	27106	37914	0	5511	4448	14723	20509	11784	0	18492	14421	8683	11093	9169	6762	6306	34355	29270	18582	6631	22306	9651	9254	22492	28600	41259	5532	0	0	4860	5536	0	5736	17310	38602	8994	22786	7512	26532	15782	9936	13913	12434	10621	12017	11112	16285	21579	39877	58456	0	17508	20332	13579	15669	12464	6901	2805	8397	17374	11969	11707	0	8924	24251	Phytochemical	0.4090909	0.90909094	0.09090909
12	C20 H24 O12	457.13406	457.13477	0.04434865	457.13406	105605	110615	113935	107765	72481	63728	58241	186736	244522	196507	132796	127578	239486	33244	158172	87551	71785	252982	117322	350268	357132	215594	194162	108060	38789	28703	56056	45737	73761	76409	83374	77130	91469	72385	523874	68699	86033	82543	69978	218922	144895	54844	1611	0	0	284738	209500	0	89914	83564	116777	123641	64386	0	306736	67255	51987	78760	93070	80036	106000	186382	332552	211318	36957	100409	70472	74905	68963	62933	76317	85709	76795	76249	57363	73222	0	70273	78369	78892	80138	240818	53847	53831	79775	60665	67106	44892	63276	64529	53274	86430	89891	138764	146670	537	120963	124509	103462	72109	69766	100535	135766	95514	152622	80957	81648	0	45117	302608	Phytochemical	0.6	1.2	0.0
8	C20 H24 O12	457.13406	457.1348	0.1350923	457.13412	19449	19530	13720	14793	13545	11633	9642	15071	38038	29872	21289	13841	38512	7243	11494	16450	33494	33884	19837	22265	41980	40118	14906	15462	3724	3332	11084	11921	9348	13565	13518	11189	16211	9546	69836	14006	11931	11868	34990	17124	24669	8703	0	0	0	21409	68024	0	14574	16273	15276	41422	9894	0	45836	28956	17222	11943	12228	17106	22487	12200	26519	35644	8939	41228	10160	19309	7162	7602	13848	12553	14444	10917	9576	14920	0	10822	18397	8236	13072	22742	8778	6417	38830	9080	14105	8452	11051	17959	0	9720	13613	18895	16000	0	14813	34454	18934	36064	18511	36172	10554	15553	22243	12531	14670	0	8795	53138	Phytochemical	0.6	1.2	0.0
20	C20 H24 O12	457.13406	457.13464	0.051101085	457.13406	43091	30135	31681	30013	42409	33712	23534	30443	51493	86095	49450	20328	55167	12018	39055	18664	10342	68765	57774	55041	83859	62116	32272	35479	20146	60547	11190	32422	35061	22842	31554	42563	31642	24639	110255	31316	33230	30873	12342	88129	78711	29621	1149	0	0	95755	78364	0	28554	32753	35760	31588	32896	0	43827	25973	20626	22512	33960	17664	28706	54847	42831	40914	14831	30743	25976	21589	117711	94273	99671	49591	31517	37003	13522	21884	330	29713	28886	41633	23700	61534	18133	16906	26766	25322	23978	31120	31864	8148	19905	52879	69542	59374	60928	0	44010	39432	36090	22338	23893	18157	24526	26328	67129	22480	39137	0	22900	51227	Phytochemical	0.6	1.2	0.0
14	C19 H24 O11 N2	457.1453	457.14597	0.03043988	457.1453	35377	30585	25927	33364	19231	23454	23523	43797	36271	30374	23372	26193	39613	9583	42765	33268	28196	40287	38601	38094	33679	47755	38213	41669	23709	7123	13559	0	33804	34169	32303	27571	52396	31992	48302	33227	49107	28075	25922	33720	22755	24270	0	0	0	37013	38587	0	33062	39272	29857	32613	22201	0	48064	19929	15235	39636	65626	21787	31715	39481	32952	36068	17482	28658	28323	24770	0	11736	8040	30204	28799	33621	26956	30515	0	36187	23492	0	22931	23428	16053	9038	15536	24369	24757	26050	26667	33959	20987	40303	66991	23318	24182	0	44013	29121	13618	13702	11751	41290	31051	35841	33033	48035	18590	0	18623	45298	Phytochemical	0.57894737	1.2631578	0.10526316
6	C19 H24 O11 N2	457.1453	457.1461	-9.53209E-4	457.1453	33234	29366	24154	32708	21068	15696	13302	31936	29354	23564	22600	23896	36216	6432	18004	35732	44940	31154	38612	23140	39830	44594	29878	42246	9594	0	12906	0	21966	24790	28650	27776	40008	27722	32068	24028	36442	20994	37038	22580	39028	23756	0	0	0	23200	42934	0	32512	32644	32232	31884	19490	0	34378	22090	15730	31506	21316	33180	35016	14774	52262	36770	15282	32062	22830	44364	5540	5046	7410	28466	29734	19422	15642	22238	0	16692	19624	8676	15960	15158	10960	4318	24472	12594	20530	26928	23108	46108	9484	19798	50068	24356	23256	0	32618	32702	15146	26996	26574	40012	19780	27982	22418	38198	16042	0	12484	58604	Phytochemical	0.57894737	1.2631578	0.10526316
8	C19 H24 O11 N2	457.1453	457.14603	-0.030948358	457.14526	38239	42303	30913	42890	20105	14953	14288	40309	27877	35278	26551	33111	40489	8005	27557	40333	47964	34794	46176	28245	44893	62278	31989	49795	13438	7089	19354	6968	26430	30002	35182	34973	39838	28738	42401	27658	39642	27606	43747	29246	50713	23887	0	0	0	40816	54664	0	31232	31919	34995	39723	19956	0	42295	19021	15311	31673	32730	33959	45200	27293	51053	39954	16126	31024	27931	47517	4437	9249	14963	40926	31065	29942	22290	30076	0	22700	30529	16834	24781	15953	17499	13012	25173	14877	26676	26032	27762	50130	16873	27697	60993	32794	24500	0	41153	47694	19418	25789	21784	37448	24982	39762	16344	37003	16741	0	20611	50623	Phytochemical	0.57894737	1.2631578	0.10526316
12	C19 H24 O11 N2	457.1453	457.14597	0.009283009	457.1453	44660	50925	49403	47384	25426	25839	35435	57573	44283	35325	26009	34994	46802	10709	51285	41157	48654	52134	55642	44394	52707	73649	56437	52490	23063	3467	22463	9138	45573	36603	49553	37639	66102	42937	62800	40968	58517	43656	44626	51200	60578	33979	0	0	0	58098	68193	0	43297	49890	49721	43149	30032	0	65900	23669	23402	44802	67477	33245	50795	47526	62900	51845	19701	45506	33877	32156	0	10071	10946	48778	44945	48842	24631	39227	0	46465	39953	18730	34682	34052	24105	17628	26434	23712	33004	26702	34129	57205	28002	57970	91121	38836	29785	0	46353	61955	21996	20227	22913	56375	40093	48687	22728	61310	24986	0	23797	76908	Phytochemical	0.57894737	1.2631578	0.10526316
20	C24 H24 O9	457.14932	457.14987	-0.001558208	457.14932	181180	193157	170255	165622	198474	122374	50173	97216	206148	525740	302200	57008	255731	132598	90397	90890	50126	201630	218798	417354	422320	206804	97368	97564	74838	485673	63577	256426	75006	56836	70528	74285	108037	69907	628249	63001	115859	75740	59387	277466	228513	81060	5781	0	592	235621	232190	1863	79094	60033	173663	177832	126357	663	180025	156630	88054	93802	80232	54306	90621	186980	260596	149974	84250	190124	111142	62479	391561	627699	609718	75525	72682	54936	52711	62334	487	66184	143970	129953	107278	158820	62928	239041	197751	108656	125136	84193	91533	83064	124899	144352	139342	178767	237704	1566	173036	172261	186576	167985	161644	83567	57951	100936	165097	93760	152899	819	82842	243787	Phytochemical	0.375	1.0	0.0
28	C24 H24 O9	457.14932	457.14984	-0.044988416	457.1493	12736	13079	11912	9456	15772	8013	1911	5430	15606	31495	11642	3410	27332	8987	5547	6554	4513	16511	17615	21967	24235	13660	6605	7969	5122	28277	3674	12924	2725	3209	4705	2037	5322	3948	32361	2717	4832	4402	3017	13977	13068	4207	0	0	0	12943	14477	0	4704	0	12478	7254	11138	0	20211	15910	6728	5979	3843	2314	5829	6960	27815	14515	6150	23006	7280	3374	29899	47223	55236	3149	3494	0	3962	3658	0	2802	12519	11430	9629	9666	3060	10822	22218	9558	11873	5041	6272	5012	7759	11184	8810	12867	20504	0	12819	12114	13942	17795	17898	3505	3935	6248	7522	5526	13313	0	4300	24195	Phytochemical	0.375	1.0	0.0
16	C24 H24 O9	457.14932	457.14993	-0.011611081	457.1493	122515	149678	123732	122086	112104	70973	59168	90295	118589	338823	188555	57298	122325	72494	68441	90665	63977	115106	122918	269187	248040	153807	87239	84158	57039	313819	57223	156683	62646	72808	77956	90016	91754	60851	361058	68672	85088	66613	64977	175821	174041	51532	2800	438	354	154021	179800	496	82328	73914	131202	135689	87051	477	107828	82158	54717	98212	82293	68864	88588	116366	148618	87448	46537	109344	73085	65635	260028	395555	393820	76656	73466	73676	55888	76352	440	57511	112891	104578	95120	144701	74012	148138	120826	61188	95886	56266	71842	114104	85660	97732	114349	116050	159468	907	117718	134582	107984	100550	98202	84132	48196	88639	104698	65604	98944	404	75645	131650	Phytochemical	0.375	1.0	0.0
18	C24 H24 O9	457.14932	457.1499	6.39661E-4	457.14932	201030	190332	167361	151923	153282	105980	74851	96247	163590	537456	302273	70316	217501	110285	102854	103160	63342	179459	227411	432820	369350	219588	115525	110110	79010	481191	71904	245736	93988	73378	86824	87171	122806	97599	556308	96986	110483	92945	74750	263933	215268	72719	4824	0	427	230917	225148	494	100828	88209	178906	186272	128669	836	192485	138474	95067	117773	87317	67572	115966	170480	245040	137489	75960	189316	109810	83516	396702	574597	597833	95430	84995	73079	61481	91522	461	66551	164913	140250	131492	181696	86002	185831	187346	106302	131316	81118	88096	91521	135638	137845	137525	156719	244165	1343	187204	155671	174545	152631	141853	100782	65880	115742	152055	81448	127248	641	89418	207321	Phytochemical	0.375	1.0	0.0
26	C24 H24 O9	457.14932	457.1498	-0.08298084	457.14926	27543	22930	22353	21706	32320	17300	3043	0	34806	63251	25706	7572	57497	14264	9365	7023	0	37687	32317	42121	53515	31602	13577	11655	6532	57099	4097	22369	0	0	6723	4694	10383	5448	74278	0	7882	9321	6015	28213	29410	9547	0	0	0	21530	30047	0	6451	7797	26352	18988	18233	0	35270	34489	14012	11751	7307	4475	9694	16964	49622	27133	11387	34581	15747	6073	63984	88760	96400	9498	2905	0	0	5229	0	6013	18840	27394	20621	19896	5327	22431	55018	17852	18572	10011	12914	6918	11492	13502	11590	35762	52795	0	23744	26349	24195	39818	36244	7996	5305	5961	14989	6868	22774	0	10969	47936	Phytochemical	0.375	1.0	0.0
24	C24 H24 O9	457.14932	457.1498	-0.059029218	457.1493	50511	53269	47024	50014	67791	36329	11266	16605	61229	124193	70049	13440	99099	32307	21516	18744	10244	63582	66005	95852	105913	52676	26644	19583	17974	125510	8687	52857	14788	14629	14520	11361	20920	11752	148153	13320	23647	18814	13390	66545	64339	17253	0	0	0	60055	65439	0	13191	14597	47054	43102	39363	0	74632	58120	28952	19656	17054	12035	20697	48009	94029	50157	25795	75237	27120	13584	118335	177240	184341	17001	12375	7785	12897	10121	0	16055	42871	41049	34271	48344	14627	53134	78224	35170	35437	20363	23536	16991	28418	26122	22464	61338	82744	0	42872	47705	51899	72992	72937	22023	9736	23654	39878	18815	56709	0	19698	87144	Phytochemical	0.375	1.0	0.0
22	C24 H24 O9	457.14932	457.14987	-0.03454336	457.1493	106884	109873	101944	104911	127914	78670	31087	45701	143647	329475	171117	30230	154395	84523	43586	50750	30835	146550	127862	234724	256151	131604	62909	58970	47114	274602	24291	143968	39585	27748	35664	39785	59564	37338	358814	34632	52869	47457	33829	152776	119762	48418	3623	0	667	150157	129703	0	34376	36465	111369	105226	82362	1012	127907	101220	56902	50973	43850	30162	51154	121902	188456	103532	53321	143479	71026	30523	244265	432536	363350	41802	26847	23281	19632	39006	681	34961	93897	81666	77359	102724	37843	98758	140442	70420	81892	55140	55158	40945	68969	72526	60006	118479	175550	0	97977	104007	114272	127834	128991	46412	36218	54355	106335	46419	111726	0	41856	174532	Phytochemical	0.375	1.0	0.0
24	C21 H28 O9 S1	457.15268	457.15326	0.32622084	457.15283	10540	13060	13328	15714	4261	7942	3459	17910	12630	24116	2459	3971	6214	1840	4039	6375	4917	6700	16122	11140	6988	4340	3010	12200	4588	5685	2356	2480	13636	4767	4330	5015	4715	5155	7390	12034	5734	9154	3215	7357	4050	3552	0	0	0	20266	9729	0	12212	6602	16934	3678	3368	0	13202	0	3441	4983	16136	2600	3913	15924	4073	4470	0	5680	5327	3821	5591	13464	6818	5319	4649	4630	3459	9642	0	11208	3987	3906	0	4825	3673	5551	4453	0	3708	3683	7852	7003	9305	7444	29460	2986	13272	0	11244	10754	0	2183	0	14060	3359	13304	7642	15124	0	0	3747	14276	Organosulfur	0.42857143	1.3333334	0.0
6	C23 H24 O8 N2	457.16055	457.16135	0.05267699	457.16055	6266	7904	4605	6395	3985	2486	2102	4781	5002	18662	10419	3086	5808	2483	1915	4883	2190	4246	5873	13373	20139	9256	3854	5735	2316	10671	2079	7194	4087	3615	2888	4691	4431	4042	19558	4120	4672	2841	5473	8457	16974	2044	0	0	0	8816	12860	0	3625	3452	6282	5301	3331	0	6366	4710	2031	6192	0	4166	5422	6412	4892	4677	2435	7252	2511	4581	11920	16753	15862	1801	3098	1914	0	2272	0	1980	3077	4913	2818	5416	2556	6906	4982	1973	4504	3127	2293	9051	4373	3905	6880	9224	14057	0	7316	8000	3061	4705	3896	5113	2098	4099	0	4529	1976	0	2510	5813	Phytochemical	0.3478261	1.0434783	0.08695652
8	C23 H24 O8 N2	457.16055	457.1613	-0.003077641	457.16055	13493	15672	13446	15809	9651	5353	5832	7402	10805	46533	22264	5840	16220	5999	4804	10033	5658	9718	9777	37591	39084	25733	5922	11362	6133	23147	4488	17974	7057	6725	6330	7193	10699	9002	47980	8127	8370	4003	9255	34234	33975	5762	0	0	0	23269	27256	0	6039	8514	13000	14975	6601	0	10456	8972	4268	9109	4051	8644	6659	13759	12560	7619	3191	10890	6218	14061	28208	40661	45160	7418	6769	3972	4268	4498	0	6071	10173	12939	7594	11096	5672	20121	7882	4362	9577	7748	5221	13880	0	12051	17070	23004	29746	0	13610	10385	8814	9330	8676	8908	4919	11980	9315	9285	6042	0	8646	13584	Phytochemical	0.3478261	1.0434783	0.08695652
8	C21 H28 O11	457.17044	457.17157	0.46595263	457.17065	23436	23880	11790	13191	4523	4996	0	29962	16202	11689	9608	20456	7558	0	10515	15973	11930	13464	14314	30788	29474	31214	17672	13401	0	5250	18722	5687	13594	12761	19934	10489	20896	0	14350	17976	27278	9835	25344	10779	11179	6439	0	0	0	12198	30140	0	14793	12091	10164	12841	5280	0	18660	3748	9198	12369	20736	9571	13982	7494	7942	11572	4112	7003	5467	12938	5956	6471	6455	23970	21952	14006	19102	13242	0	10027	21800	9644	18436	8922	18544	0	14094	4585	17984	5185	6259	14872	0	8838	14962	7460	11886	0	12478	14526	6166	5244	5202	13587	15718	26310	16217	11781	4912	0	9274	8463	Lipid	0.52380955	1.3333334	0.0
16	C21 H28 O11	457.17044	457.17105	-0.005290902	457.17044	217777	219088	201655	224990	136949	142788	141710	271028	201895	448599	166104	127548	233007	70645	493570	188273	84688	260569	258641	415077	301422	277314	412636	495402	198019	88778	105036	137841	251247	423052	499564	245895	280913	179363	562497	229435	574752	349612	94694	548834	113145	125394	3787	809	750	521814	142473	489	247321	426074	219748	217323	146484	760	321007	127497	94359	213186	597380	84892	244152	182473	237561	198773	79622	180158	150190	94082	102441	224850	96398	524216	487146	249559	108027	212813	0	190591	165746	116501	155498	160746	167594	150230	114912	104119	126676	96578	131979	96370	184190	251225	277283	145319	208115	2204	226773	214581	125192	92540	99088	440506	134964	248628	150808	244244	119700	624	133297	252435	Lipid	0.52380955	1.3333334	0.0
12	C20 H28 O10 N2	457.18167	457.18234	-0.043551728	457.18164	84016	88928	75784	69058	34712	35624	72258	137826	67478	86922	33132	54034	49276	15410	112263	89142	43736	76582	84000	114768	84372	150514	108694	94526	92060	3811	47990	0	128878	84416	113576	113330	130246	104776	115490	101688	126614	80244	66966	108462	51458	51078	0	0	0	115092	64090	0	100040	111110	87332	88602	46926	0	105220	22650	40254	124162	160698	58834	109866	60806	62696	49468	29708	74166	55044	55310	0	29542	20080	110860	86752	113088	41818	80804	0	88676	54617	0	58246	49852	89106	34120	34948	47516	63936	38894	51012	115240	97600	143488	185842	47516	48666	0	80378	109360	32406	19284	25898	97308	69642	114878	55090	115750	30260	0	62432	84436	Lipid	0.5	1.4	0.1
12	C25 H28 O8	457.1857	457.18637	-0.04514771	457.18567	31212	25360	31572	29380	11182	8308	23926	25986	13687	30020	23733	17449	10570	7236	15874	34714	31853	12681	12078	38284	31561	29667	20802	34263	16970	31457	29570	20334	20327	26378	21705	23383	20052	17119	28660	23317	16237	20089	31020	27047	32295	12215	516	0	302	24796	42059	0	29823	25103	29145	30886	10327	237	15560	8875	11077	32280	20566	25370	0	19298	14840	12336	7158	11171	12105	42263	29232	38284	50414	18684	20826	26479	32107	21775	0	17354	30085	0	26997	19124	19498	19739	17934	7720	33183	9380	12688	41762	20957	20965	27306	19193	21323	0	28539	23534	15833	13220	16453	27627	14407	31190	20188	21382	10386	0	23882	12866	Phytochemical	0.32	1.12	0.0
24	C25 H28 O8	457.1857	457.18622	-0.02207742	457.18567	146829	142778	134986	138443	142325	103983	46131	84867	157839	333953	202544	57749	220239	93010	78747	93748	53743	173273	177352	322429	306978	128052	99265	107418	68129	410768	41111	191505	71994	66501	70421	77361	89831	71857	399773	69476	108734	64344	53621	200858	167288	67348	2542	0	0	147606	137877	0	84859	68881	139450	136560	111393	0	166817	149974	73784	105196	77260	54479	100792	142389	202897	135626	67777	176758	94081	64186	395726	575892	549945	80533	66188	55390	44195	67934	0	61563	128156	89890	98457	102961	60809	157898	167044	90848	110786	73593	80498	86381	105768	114867	126478	117677	159718	0	138466	129437	112844	155062	164602	80364	53577	103610	99557	80958	121527	0	70152	195838	Phytochemical	0.32	1.12	0.0
28	C25 H28 O8	457.1857	457.18622	-0.08454164	457.18567	20167	19403	19547	21284	23273	10351	8147	10525	22766	36796	23168	5531	38528	16377	10080	14485	7858	22743	31137	36339	41647	15466	13028	16509	9499	53079	7255	24525	10767	8446	8401	9577	11778	9553	41791	9554	14849	9014	6345	21508	25119	9680	0	0	0	19954	20509	0	11216	10018	19973	18697	16404	0	24647	21717	10409	16355	9931	5947	13081	12989	29687	17906	7960	29707	16584	7672	57846	79166	95576	8402	7134	6467	6703	7359	0	7045	20593	14189	16479	9995	8370	21034	27945	14202	23100	9276	9111	10632	12734	16343	15127	17152	23526	0	19472	15368	16691	31721	28725	12641	6559	13996	8286	11848	20369	0	10340	22377	Phytochemical	0.32	1.12	0.0
26	C25 H28 O8	457.1857	457.18625	-0.0511683	457.18567	48449	49053	48414	48570	63639	34540	11972	30870	66073	97944	61412	23137	92225	41362	28439	34532	22074	67453	68732	107342	114427	47237	32322	38401	24773	146271	12491	62169	19591	21352	26577	23756	31614	22286	112199	25297	33032	22416	22958	77739	69813	25651	0	0	0	48355	56418	0	25571	26160	53828	49935	43002	0	73575	60462	26372	32423	20702	17595	38225	48692	74620	46968	20164	66721	36766	26908	155102	196078	231347	25848	22360	18740	17830	23325	0	22330	58074	36451	39390	34519	22280	51655	79423	28411	42715	27282	27836	28768	31104	34834	47615	41208	57144	0	47149	52975	45854	73195	65962	34274	17691	29367	37448	27344	49090	0	24236	77835	Phytochemical	0.32	1.12	0.0
10	C24 H28 O7 N2	457.19693	457.1976	-0.018677978	457.19693	15092	16423	16618	16305	7545	8947	9074	16353	6618	44936	18239	7197	6179	5423	9966	15516	13828	8669	14271	41615	46304	27133	9473	19366	8830	30724	7316	19869	13083	11558	10176	15640	19297	11997	41327	10980	17944	9345	16956	33369	26240	8364	0	0	0	21316	21564	0	15086	13458	22092	17118	4444	0	7498	5633	3898	13751	3361	7486	14848	17715	6578	6446	3055	7853	7462	15723	23728	41558	31231	12875	10487	11635	10909	12660	0	9216	12417	19027	11101	5935	5503	19538	5140	3526	13724	7660	8100	15565	26963	16468	23990	17943	34174	0	18101	18493	4807	6866	5228	17402	5435	17928	0	14507	5094	0	11177	8283	Phytochemical	0.29166666	1.1666666	0.083333336
24	C26 H32 O5 S1	457.2043	457.205	0.2968485	457.20447	12514	7083	11196	7991	5022	4772	0	0	0	11461	41730	0	0	0	0	3993	4772	0	4864	19459	38436	17060	0	0	0	51195	2801	23511	0	0	0	3439	3911	4210	13834	0	5234	0	5354	20978	31506	5496	0	0	0	12731	18702	0	0	2467	13844	8931	5033	0	0	2726	0	6007	6932	12641	4337	20275	2029	3913	0	0	5120	3080	43675	32654	45596	0	1595	0	0	0	0	2778	3771	23489	0	11060	8654	39602	4580	0	8928	3719	5544	7048	24118	38596	15754	27326	22815	0	5905	7267	3039	0	0	3856	0	10233	10696	4620	6800	0	0	0	Organosulfur	0.1923077	1.2307693	0.0
18	C22 H32 O10	457.20682	457.20734	-0.10059771	457.2068	115426	109053	114894	103272	54442	63958	80404	144634	85748	142844	71653	64292	106158	39902	123596	104398	50284	104055	136814	163052	105372	112063	111213	146731	117679	24724	66020	63618	155885	116380	142886	152525	163234	125697	184595	156998	146225	107218	61200	117269	29696	62722	2148	349	0	101957	33891	0	148162	121666	106384	103059	68992	392	168463	70491	47891	132397	147304	36606	119873	64016	104887	97853	51897	89503	87401	52649	27116	86895	35603	143506	115796	161467	67614	120282	0	108513	82227	42454	85505	56099	97117	52136	54898	68353	79467	54552	77623	52645	108532	162908	157526	49567	82020	972	108661	114739	54733	52828	49715	132477	75541	126725	53418	104512	41180	359	78702	97455	Lipid	0.45454547	1.4545455	0.0
14	C22 H32 O10	457.20682	457.20746	-0.07398626	457.2068	44939	36114	47481	45297	16999	26972	51056	54694	23663	35796	31084	34494	29930	13939	47654	51930	42116	26254	31543	45882	30615	37850	35869	62051	42342	13141	34560	25446	64919	54006	48450	63031	54061	41073	40882	63801	47610	37726	46519	31971	18720	30073	0	0	0	36019	22033	0	57163	54211	39719	44622	23853	0	42135	21867	17914	50327	64441	30938	52425	22073	31353	27900	17951	28513	29022	37618	16521	24546	16690	47841	46411	61019	50822	51781	0	38258	38935	15814	37990	21235	37381	20664	29277	16794	37453	23349	27508	43793	34572	47705	56276	22509	20687	0	39192	40650	19252	29732	29135	59758	35326	55166	17755	44513	23605	0	35558	25041	Lipid	0.45454547	1.4545455	0.0
14	C21 H32 O9 N2	457.21805	457.2187	0.051660452	457.21808	9179	7735	8630	7755	3395	4885	10512	12700	3122	4838	3888	8210	4115	2120	12311	13568	7866	5385	4343	11692	5565	16492	8429	11172	15254	1924	7503	0	18483	11529	9551	16584	15578	11833	6266	13216	13043	7739	7054	5341	0	5937	0	0	0	6729	0	0	13684	12220	9537	8419	4539	0	4472	2876	3240	11364	10636	0	0	2899	5396	5490	3509	4152	3867	7146	0	2460	0	9718	8784	14275	7129	10773	0	7797	7186	0	4851	5514	7607	1549	2347	3457	12217	5380	8537	13411	0	24372	17388	5107	6270	0	5909	9548	1790	1529	3754	8912	6860	10382	0	10803	2154	0	7679	5699	Lipid	0.42857143	1.5238096	0.0952381
12	C21 H32 O9 N2	457.21805	457.2187	-0.01100723	457.21805	12652	18340	14056	15924	9986	8862	12530	24596	8952	11324	6888	12252	8950	5560	18664	19516	8582	11536	16712	12784	9988	18120	22212	28214	26134	0	7412	0	31962	17980	20252	18726	32632	20626	19680	18172	25098	15808	13390	12494	0	5592	882	0	0	13274	9178	0	22670	16844	15168	16806	9358	0	13500	5218	4212	29246	17760	0	0	4770	9166	11276	4662	8564	8072	16654	0	6186	3446	21266	19884	18902	14760	16234	0	15488	10592	0	10580	8594	17114	4726	6856	3558	19510	12510	11492	36818	43817	45198	40926	0	7526	0	13942	17030	0	5510	0	25676	14614	16606	0	25036	5348	0	16354	14578	Lipid	0.42857143	1.5238096	0.0952381
10	C21 H32 O9 N2	457.21805	457.21866	-0.05283213	457.21805	10672	7380	7544	8299	4496	5133	6411	13486	5583	6208	0	3814	3448	2238	8826	8618	6839	5954	7742	8503	5052	14142	6768	11923	7914	0	4194	3168	11012	8921	10104	12588	14159	10332	9198	13125	13109	9610	6774	6291	2915	4696	0	0	0	9315	1942	0	12097	7472	8765	9269	3675	0	7554	2693	2638	13016	7400	3586	10434	3039	4775	4071	2178	6085	5645	6783	0	0	0	9939	9598	11676	3362	7164	0	6352	6386	0	5548	2983	7068	2735	3041	3123	7501	4969	5136	9181	20715	17185	19871	4326	7148	0	7452	8992	0	2497	2448	12280	4801	11925	0	10427	2902	0	10144	6202	Lipid	0.42857143	1.5238096	0.0952381
28	C26 H32 O7	457.22208	457.2226	-0.089088544	457.22205	31199	27608	28691	25695	40498	17031	15360	22477	29912	37565	30547	12585	45779	22556	17768	26733	19318	28782	37345	49052	50171	24582	22548	22551	18286	89362	13791	33864	23265	20537	17047	20850	25866	19545	53603	24220	24501	17402	19249	28734	35725	17323	1938	0	0	22545	21805	0	23813	21263	29404	26249	25002	0	33685	30500	17151	25226	15570	13291	26861	16844	35640	25752	14006	43142	24797	22852	84216	93658	129733	18051	14321	19727	11744	17417	0	14694	29222	22994	23203	14945	14481	26197	37611	17706	32059	17784	17689	21970	24400	23961	31159	19340	24711	0	27093	31611	19587	48459	49908	29818	14142	25464	14636	23947	26533	0	15188	32620	Phytochemical	0.26923078	1.2307693	0.0
24	C26 H32 O7	457.22208	457.2226	0.001867394	457.22208	406872	395357	373033	392799	420009	264092	158454	317625	391048	690962	585827	186852	485465	252321	266740	341845	220587	415357	523588	867869	845984	378119	299407	355698	245875	1221689	170536	534562	277209	285095	263097	283701	341901	274260	923724	292062	393987	215544	236772	569050	469011	201657	8759	0	0	360392	295241	2786	317971	272154	400334	378752	315390	0	433256	361709	199041	352027	264293	185370	360851	370595	438070	330760	167293	399377	277546	244247	1072433	1464357	1437062	291338	260402	259000	176343	261327	0	227389	375295	233422	291898	224434	230877	416108	412807	241203	360680	212620	257731	282265	353672	376651	446080	289659	385297	3460	394122	387005	286839	356450	363138	335567	191342	371223	226903	298134	302991	2389	256264	442136	Phytochemical	0.26923078	1.2307693	0.0
26	C26 H32 O7	457.22208	457.22266	-0.022285452	457.22208	125067	118523	115403	124404	140811	81351	56925	116636	131650	208944	178095	66230	178504	87237	95302	116550	73378	146072	177222	294082	262277	123954	92996	127907	92717	403744	46665	181945	109444	100220	96918	103178	115652	84560	273408	109287	133705	70637	78376	184059	164410	79344	0	0	0	123265	91305	0	106353	102024	127057	123924	111735	0	143670	159939	73847	117294	90498	61310	117178	111581	159117	115145	54808	146432	111790	83655	374981	450664	477913	98326	89156	93271	63905	94804	0	76582	135314	99297	89491	77618	71385	135781	178269	87266	125350	80200	86803	92387	109103	117864	152249	95592	132833	0	132262	144361	100415	170658	165108	120960	66181	129163	78184	89699	113287	0	78068	142276	Phytochemical	0.26923078	1.2307693	0.0
14	C26 H32 O7	457.22208	457.2227	-0.09138323	457.22205	41459	31739	28955	32840	16461	11826	36874	38426	22636	20450	30728	29586	16953	10587	27079	48655	50077	14434	19879	22214	28792	30554	27362	35957	30524	30721	37179	16660	26309	33408	34028	38735	32637	14985	23659	37231	25404	30045	54656	23797	27280	21605	0	0	0	28619	30295	523	37282	35709	30985	32556	17237	283	21072	17743	20429	46945	17947	37237	22444	18586	17552	17980	13541	14188	20211	57072	36047	31511	47227	18501	26144	39138	45615	36426	0	26232	43471	18892	37057	21297	28748	24328	23829	21812	44114	13149	20386	60206	32137	29080	29758	22556	16810	0	33583	28527	20879	25046	26726	26268	27632	37868	0	33245	20682	0	34803	16774	Phytochemical	0.26923078	1.2307693	0.0
22	C26 H32 O7	457.22208	457.22263	-0.001101561	457.22208	612658	626189	550975	583042	626665	382428	286830	526554	576577	936020	770549	324039	487855	363439	423030	538747	432211	560888	624802	1220680	1239457	546105	468019	551764	417716	1777960	284158	754622	478199	409365	427479	490100	554521	437548	1057358	462513	570408	411777	471669	709973	697306	339911	18239	0	1195	483370	430556	2587	485053	452371	598368	588691	479121	2411	559503	473418	333448	544932	379189	349704	542194	517443	604581	473508	252883	536711	410351	468181	1474008	2164890	2249064	428341	373034	396297	335965	466975	855	350687	626025	350282	501299	334951	379579	535737	626202	372576	617000	349611	392889	515204	576141	565391	615961	400036	565696	2970	549334	614386	485170	537623	502498	575963	334449	543363	330406	473084	482976	3122	428844	636407	Phytochemical	0.26923078	1.2307693	0.0
18	C26 H32 O7	457.22208	457.22263	-0.0695933	457.22205	258455	251640	232852	219803	207951	129405	182993	234979	179379	269310	231610	163326	181050	125566	183599	282853	250435	153651	259486	361588	317675	205691	214056	258031	157528	485527	195399	206578	212424	202553	208818	242761	237602	182997	275625	220313	201627	182989	285107	209756	273622	143368	4598	1021	632	165148	188631	985	236283	214062	225371	246410	171617	1086	216799	184307	135038	252136	158906	193028	225198	154252	215870	179584	119380	162803	152054	313181	381637	450115	636072	155362	157502	205979	247147	246005	304	145889	311511	166174	243981	153516	176758	176698	248155	159825	290266	134058	155904	309690	235166	216147	277263	164003	198420	1705	231771	221177	169657	223149	209833	250388	156863	243759	115878	205883	176698	970	213128	187986	Phytochemical	0.26923078	1.2307693	0.0
14	C19 H36 O12	457.22797	457.22855	0.2522626	457.22806	0	0	0	0	0	0	0	0	0	0	0	0	0	16595	0	0	0	0	0	0	0	0	0	0	2002	0	0	0	0	0	0	0	1680	0	0	0	0	0	0	0	0	0	0	628	0	0	0	804	0	0	0	0	0	364	0	0	0	0	0	0	0	0	0	0	0	0	8723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24438	5798	0	0	0	490	0	0	0	0	0	0	0	0	397390	0	0	752	0	1907	Unclassified	0.6315789	1.8947369	0.0
10	C20 H32 O8 N4	457.22928	457.22977	0.03405054	457.2293	0	0	2538	2826	2896	0	1077	0	3392	0	0	859	1057	2830	1547	0	0	0	0	0	0	0	1593	2426	2001	0	0	3997	1582	1398	1944	2768	0	1138	0	1799	2515	1218	1350	0	0	3605	0	0	0	0	0	0	1450	1342	2221	0	2738	0	4496	0	7948	0	0	0	0	0	0	0	4982	0	3601	2598	0	0	0	0	0	0	0	0	0	1486	0	0	0	0	0	0	0	1405	2317	0	0	1711	32959	12472	4756	1157	0	0	0	1996	0	0	0	0	892	0	0	3165	1739	0	1006	0	Peptide	0.4	1.6	0.2
8	C20 H32 O8 N4	457.22928	457.23004	0.1485187	457.22937	3464	2674	1717	1444	783	1147	0	1740	1452	0	1816	1282	1189	0	1877	2144	2419	1772	2467	0	0	1216	1239	3089	2691	0	1497	5638	1527	1507	1658	1836	2330	1486	0	1523	2679	2251	1688	0	0	1115	0	0	0	0	0	0	3208	2343	3580	2412	851	0	846	0	0	2922	0	0	0	0	0	819	0	1550	4571	1752	0	0	0	2089	1786	1990	0	2351	0	1307	1232	14061	944	0	871	0	0	0	2959	0	2155	4126	64039	26825	5020	2501	1988	0	1781	1669	0	952	0	1767	0	0	0	3729	0	0	2073	1357	Peptide	0.4	1.6	0.2
4	C20 H32 O8 N4	457.22928	457.23013	0.036851678	457.2293	1751	1853	1523	1744	421	1348	864	2158	950	0	0	696	1106	0	1868	1923	826	1480	1600	0	0	1657	1241	2001	1797	0	0	0	1685	687	1637	2092	2626	1359	0	1992	2789	1099	1856	0	0	572	0	0	0	0	0	0	1669	1187	1274	1770	565	0	1712	469	331	1781	474	0	2568	0	1301	884	0	1659	1437	1362	0	0	0	1470	1438	2065	0	1303	0	846	1212	8968	500	488	397	0	426	644	1600	1087	688	2582	29558	18880	4490	766	0	0	2132	1534	0	687	0	1887	1208	0	0	1667	352	0	1209	2227	Peptide	0.4	1.6	0.2
6	C20 H32 O8 N4	457.22928	457.23007	0.074825935	457.22934	1584	2631	3321	2344	1268	1403	928	4247	727	1158	0	1318	1685	0	3807	4578	1344	727	2342	0	1052	0	2521	5321	3472	0	1716	3576	2513	1795	2106	3668	4721	2269	0	2840	2342	2196	1745	0	0	1117	0	0	0	0	0	0	3425	1183	1837	3339	1008	0	1393	538	901	3949	906	0	4855	0	1504	1344	0	1323	1557	1554	0	0	0	3374	2611	2025	0	2611	0	2575	2068	11691	663	499	584	0	1124	0	2803	1421	1062	3723	50775	25038	8768	2800	1549	0	2559	2858	989	1065	0	3418	861	0	0	2453	0	0	2195	2069	Peptide	0.4	1.6	0.2
18	C23 H36 O9	457.2432	457.24368	-0.16811365	457.24313	15322	12442	14755	16556	5666	7852	19320	25463	7214	6885	5292	17487	13140	5775	17279	21438	19995	9189	14929	11333	6787	4480	8788	18077	12896	0	16499	8954	43171	45819	33428	25417	32180	25834	4885	39209	22976	12017	18699	6591	6566	10738	0	0	0	5841	5250	0	57461	19795	17025	10258	5314	0	11827	7727	7259	24430	13510	5176	21316	3567	10084	11546	14714	8539	10983	15451	4913	5027	0	21065	28666	25401	39079	26290	0	15357	12877	4829	6939	7394	22889	8658	6943	9410	10421	7915	19007	11928	14145	14249	10455	5462	1547	520	11571	13920	6005	14672	12689	28119	12020	25095	6111	11097	6605	0	10018	10024	Lipid	0.39130434	1.5652174	0.0
20	C27 H36 O6	457.25845	457.25897	-0.09937381	457.25842	189259	188871	189271	161426	203557	95500	161327	160026	163392	144804	151261	136766	137108	121801	152778	220631	313701	141144	199635	181799	172580	119286	142014	174663	136862	286015	188657	142968	165709	174051	131433	172427	190183	121286	160986	178110	166548	150242	321564	115460	178700	117559	3709	0	0	101959	128080	779	175417	144465	179659	171310	166849	898	181674	170231	120454	182895	104653	161417	166221	72461	164669	169755	113887	144098	127775	325669	200098	239568	340530	99136	118333	148254	267610	178296	0	117065	258128	127025	166189	80341	138875	143819	250321	154804	255551	105130	122180	302134	162064	169083	183370	112592	122285	670	176117	168696	165832	236252	281922	221349	119953	170943	78196	149610	204700	0	173710	152399	Lipid	0.22222222	1.3333334	0.0
22	C27 H36 O6	457.25845	457.259	-0.060781434	457.25842	406491	414170	358263	375075	527638	224912	297337	335983	421224	422039	450547	265518	285272	273869	301225	450038	545271	323283	468570	497242	538064	298168	313065	342256	288985	924558	336061	426966	349733	361513	314663	380189	425206	286259	440470	373122	382932	307732	589540	325131	423705	263047	11792	0	573	244348	283338	0	377084	339365	406716	387082	379858	1358	458888	377513	278807	428535	225532	318070	388625	230397	398147	353649	233818	335251	299422	628419	689710	797764	1058104	236610	251591	313546	423186	356567	300	252273	503023	248986	364437	200943	283698	282151	565839	350918	521299	276199	304534	516267	355963	379737	390340	258601	310730	2693	374875	404558	347365	537046	510597	495171	261312	365150	191696	337438	471103	0	349947	386850	Lipid	0.22222222	1.3333334	0.0
28	C27 H36 O6	457.25845	457.25897	-0.08106755	457.25842	50692	52663	49390	47201	70106	23115	43112	52614	53833	49529	60837	26879	59828	38287	37780	54542	46671	42935	75899	66728	58312	63643	42110	47999	55750	136776	38513	68965	47893	50527	44625	44457	67716	39083	68788	62711	55367	32572	51178	48231	59809	36050	2791	0	0	39703	28280	2410	44442	49022	50217	47061	55741	0	68834	64718	29389	57014	39680	24607	55655	32535	54714	47096	30883	61502	47417	52656	121122	107577	131276	27575	34006	46944	30602	43075	0	31842	82523	101546	40200	32985	39848	48691	82969	37297	123127	32372	37431	50968	47884	54136	60318	171906	55421	0	53517	51692	38967	92962	104136	78751	26755	62893	37282	46038	57293	1171	50576	43260	Lipid	0.22222222	1.3333334	0.0
26	C27 H36 O6	457.25845	457.25903	-0.015019719	457.25845	317712	298941	302044	296129	410844	179121	180363	312247	335119	356472	444482	163783	320298	221506	237110	326171	267494	307589	468704	567281	502598	271838	212897	292831	249905	959926	181287	495441	300388	305523	254806	304465	362881	216430	484618	331942	361024	209367	258603	374215	348775	212547	5989	0	0	254717	200113	0	288482	261121	306782	311049	294336	0	398338	359176	197792	308020	245157	169566	314049	250895	318548	294819	143655	293657	250326	278325	802176	830150	849332	215544	227798	296571	206868	273938	0	187885	346185	276433	237426	181076	237285	310907	409605	235927	416582	194874	223791	263628	273567	335527	351753	280561	283413	0	303313	327022	238487	434909	440978	432302	160171	345826	189375	243595	332549	0	247501	278522	Lipid	0.22222222	1.3333334	0.0
24	C27 H36 O6	457.25845	457.25897	-0.01685042	457.25845	545171	575833	527987	522918	748794	317266	329402	462609	551015	646394	757253	316463	513422	345485	397993	587706	574815	500489	790673	924829	932186	433847	380543	483522	362997	1603602	345085	768191	446811	483130	404759	488969	615026	387189	790534	501021	575492	363044	571552	596667	638055	318870	14067	0	0	390988	397943	2117	504889	423159	550828	530590	549647	0	680088	530078	311086	551636	348912	341023	524534	370307	565985	496876	255304	505058	407084	606978	1204587	1374182	1628632	353766	380191	437146	423044	452652	0	336216	605994	433560	443006	301857	363677	495982	742060	448865	674084	331321	438606	538459	486618	524731	530643	451084	522122	2720	546447	548604	445945	655142	672180	675500	290802	581341	283293	441405	617887	0	416972	528104	Lipid	0.22222222	1.3333334	0.0
12	C20 H40 O11	457.26434	457.26562	-0.06780969	457.2643	4388	4942	3414	4820	0	983	0	0	0	8403	11267	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34492	0	0	0	0	0	0	0	0	0	0	0	1342	0	0	0	0	0	0	0	0	0	0	4017	5376	0	0	0	0	0	0	25495	0	0	5012	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	223638	0	0	0	0	0	0	0	0	948	0	375539	167771	0	22328	1406	457	3366	3837	0	0	0	0	0	0	154683	0	0	0	0	0	Lipid	0.55	2.0	0.0
20	C20 H40 O11	457.26434	457.26474	-0.002883123	457.26434	46071	33966	104346	52701	30465	36153	29610	68040	39279	32034	22222	25365	63213	26295	51534	104466	31434	78351	84720	52914	60960	44607	44880	93426	46206	31647	42795	32242	82707	71001	46068	57087	71418	41619	29259	50907	72723	36924	33204	33990	15720	79278	4944	7483	3656	39093	21135	6146	43899	51684	48936	48006	39999	3660	63453	45456	20316	71076	45123	17670	102585	14565	52269	46071	20919	38388	25575	27927	24792	103806	33795	38154	48180	63648	43884	39819	4183	35868	41703	15906	27078	18120	47610	0	40410	29841	46023	31884	33798	86940	62857	66881	135477	15033	28935	6574	43827	61935	23784	33036	36030	83928	30054	51708	26965	64281	30423	7262	30066	44011	Lipid	0.55	2.0	0.0
16	C20 H40 O11	457.26434	457.26492	-0.04081822	457.2643	137277	120093	130028	123934	107787	97921	116634	91742	101169	83334	136898	130970	74161	104750	99441	82696	109989	68992	70086	78317	55552	80279	94365	87238	94707	89505	128436	100358	88105	85764	126164	106881	108141	95785	71477	91776	108556	105127	130966	117551	113031	86682	192644	243096	181672	74867	80848	246338	105241	101198	133139	121822	129270	174108	76691	85352	135269	112284	321393	144203	77996	152497	97067	100052	117867	106101	115716	143627	86257	84653	103308	98501	106071	98410	82705	122998	194666	111935	115234	69692	102118	119632	110264	107061	115029	101942	124320	111381	115895	154038	83846	86663	106876	101982	62631	203082	118293	103156	106966	116302	101651	82663	120683	89928	2655490	151034	87455	254302	122722	76426	Lipid	0.55	2.0	0.0
6	C21 H36 O7 N4	457.2657	457.26627	0.03638143	457.2657	15261	13210	13964	14529	0	25362	0	0	0	0	11600	0	1392	0	0	2473	0	0	0	0	0	906	0	1657	539	0	529	104190	1415	0	705	706	1573	683	0	735	2210	0	0	0	0	903	0	0	0	0	0	0	0	0	14842	13171	456	0	0	0	0	2033	0	0	970	0	0	0	0	0	0	0	0	0	0	846	0	909	0	702	0	0	0	619780	0	0	0	0	0	0	0	1052	530	0	1250783	584025	1182	56427	7180	0	12967	11871	0	0	0	0	0	0	0	1058	0	0	0	0	Peptide	0.33333334	1.7142857	0.1904762
8	C21 H36 O7 N4	457.2657	457.2664	-0.02892705	457.26566	13907	15794	13724	16875	0	14023	0	0	0	1302	11830	0	1278	0	0	1427	882	1115	0	0	0	0	0	1063	0	0	0	104938	1273	0	0	1732	0	2065	0	879	1256	0	1528	0	0	802	0	0	0	0	0	0	1348	0	15392	18119	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1167	0	0	0	0	0	0	1003	0	0	0	0	444229	0	0	0	0	0	0	0	0	0	0	1607570	718333	0	69134	14636	0	16976	16233	0	0	0	0	635	0	0	0	0	0	0	1069	Peptide	0.33333334	1.7142857	0.1904762
10	C21 H36 O7 N4	457.2657	457.26624	-0.0526819	457.26566	15865	16131	12849	11958	0	2016	0	0	0	2111	12614	0	0	0	0	0	0	0	0	0	0	1641	0	0	0	0	0	72849	0	0	1022	0	1201	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16381	11972	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	388056	0	0	0	0	0	0	0	0	0	0	1388982	503918	0	48811	8164	0	12788	13886	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7142857	0.1904762
4	C21 H36 O7 N4	457.2657	457.26624	0.13455234	457.26575	559	785	477	464	0	1541	0	0	0	0	0	0	0	0	287	0	0	0	0	0	0	0	0	468	0	0	0	4917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	984	0	0	0	333	0	0	1155	0	0	0	0	0	0	0	319	0	0	0	0	0	0	0	333	0	0	0	235	0	146132	0	0	0	0	0	0	424	0	0	605	53635	17752	790	3168	0	0	0	542	0	0	0	0	0	0	0	521	0	0	0	294	Peptide	0.33333334	1.7142857	0.1904762
26	C24 H40 O8	457.2796	457.2797	-0.25373653	457.27948	0	0	0	0	2625	0	10506	0	3330	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7551	12524	0	0	0	0	2168	0	3226	0	4010	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4594	0	0	0	0	0	0	0	0	0	4231	5976	0	0	0	0	0	0	0	0	0	0	0	0	0	27295	0	0	5661	3573	0	17720	0	0	0	0	9696	9075	0	4497	0	0	0	0	0	0	0	0	0	0	7858	3172	0	0	0	0	Lipid	0.33333334	1.6666666	0.0
22	C24 H40 O8	457.2796	457.28003	-0.15189566	457.2795	1443	1794	3108	1626	1676	0	21452	3819	0	0	0	0	2525	0	1535	3889	2027	0	1921	0	0	0	1318	0	2151	3025	12143	1892	3996	2108	2588	0	5530	3121	1624	4587	4819	0	2521	0	0	1190	0	0	0	0	0	0	3554	2220	2531	2412	1291	0	2220	1262	0	0	0	0	3102	0	0	0	1931	1976	3450	2215	2114	0	0	2118	3473	2633	3227	2242	0	1428	0	1300	0	0	23125	11790	0	1511	1904	0	1748	2354	4816	0	3269	0	0	0	3206	3432	0	1858	0	5680	0	0	1352	1648	1705	0	0	0	Lipid	0.33333334	1.6666666	0.0
20	C28 H40 O5	457.29486	457.29538	-0.13986126	457.2948	19441	20042	18156	17125	18163	9551	32980	19033	19044	2592	7594	17987	10835	23361	20252	35217	79996	6956	15319	4295	3050	7663	9728	10844	24951	7679	38215	8977	20094	37213	20472	28085	30398	9512	5306	30558	23281	19549	85325	3225	9032	12537	0	0	0	2816	9096	0	18588	22376	18775	20326	18599	0	23486	26426	17110	29983	11744	21939	18547	3333	14746	14301	24010	10987	19240	76590	3045	9316	9473	6959	13839	26992	75103	31868	0	13937	34029	19639	17010	7224	19120	0	46664	25918	48961	13316	14642	65607	15412	12879	21465	6111	8734	0	20362	20533	22342	45815	48810	38285	17008	14109	4914	17264	34865	0	28608	7472	Lipid	0.17857143	1.4285715	0.0
28	C28 H40 O5	457.29486	457.29538	-0.101438746	457.2948	65364	64223	60995	59511	97863	30262	102468	72917	73652	34417	69599	33019	61903	49790	53174	70099	83932	46811	111325	53756	43919	46400	46458	50752	92690	124380	83713	89002	89396	97596	62081	77210	106518	51382	45716	113828	82012	67914	80804	41926	50614	50254	1576	0	0	42172	30427	0	65302	68199	65854	62439	71606	0	115266	97610	44264	81047	67960	36464	68871	37875	50275	68415	42387	70071	70527	97770	89784	59310	66564	36708	43024	94251	51008	76380	0	43642	93965	92164	51068	40024	65890	55232	166007	79295	149510	39840	49001	88097	56576	65247	60940	78958	37094	0	64614	66792	65706	177533	204315	137422	39467	80975	48530	68166	138428	0	69775	42475	Lipid	0.17857143	1.4285715	0.0
18	C28 H40 O5	457.29486	457.29535	-0.07388742	457.29483	3689	5243	3597	2542	2290	0	8026	2324	3142	0	1456	2383	0	3586	4300	6534	12128	0	2186	0	0	1784	3079	0	2090	1393	7955	1521	6491	5049	3386	4856	4283	0	0	4129	0	3075	22872	0	1669	0	0	0	0	0	0	0	3819	2037	3573	3292	3226	0	4678	3262	3215	4713	1814	4615	1790	0	0	0	3035	0	3911	24207	0	0	1940	0	2112	3233	15499	5557	0	1822	6355	0	3227	1264	2094	0	7151	4813	5637	0	1774	18881	0	4146	0	0	0	0	5054	2877	3290	8247	13077	5677	3166	1991	0	2172	4091	0	3461	0	Lipid	0.17857143	1.4285715	0.0
26	C28 H40 O5	457.29486	457.29538	-0.080675036	457.2948	220944	220468	229633	214794	333945	130893	240038	237451	261162	127093	237428	153962	185739	193222	197672	293604	372197	183652	368517	214629	182125	153446	155033	173494	235619	408521	246860	277323	298693	373577	223103	288053	301620	190929	178454	383312	265237	201281	371549	183446	197055	191687	4071	0	0	139138	142243	0	241023	262798	231684	210807	244166	0	367775	320958	176609	269786	166996	161752	247675	125488	193250	234739	142551	191733	239595	429993	302861	228124	268515	133881	201195	349047	290049	314297	0	155058	284854	226992	179497	139990	215940	183651	486801	278655	384681	163218	207132	304411	201530	221453	219518	177122	165588	0	222469	241760	233610	465215	470367	430196	150533	280245	130197	189795	396155	0	252796	149154	Lipid	0.17857143	1.4285715	0.0
16	C21 H44 O10	457.30072	457.30133	-0.09743204	457.3007	11231	9116	10487	12237	6258	0	0	8445	0	39322	34829	0	5382	0	0	5703	6039	3906	0	10369	3741	10710	0	1623	0	0	0	2708	0	1325	2854	10541	11094	3939	16900	2350	10193	0	7124	18437	21901	1503	635	0	276	11276	27959	371	13577	2402	11824	8828	6882	13160	0	0	3280	6258	102024	6764	6435	22789	10532	0	910	9345	0	6955	0	9759	7522	11911	5591	4193	4649	2485	294	0	0	7742	0	0	0	0	0	0	0	11058	0	0	15749	9728	0	11371	9456	562	11001	8789	2459	0	0	11214	0	21665	495016	11218	0	0	0	4620	Lipid	0.47619048	2.0952382	0.0
26	C25 H44 O7	457.31598	457.31586	-0.037894346	457.31595	0	0	0	0	0	0	33094	0	0	0	2038	0	0	1921	0	0	0	0	0	0	0	0	0	0	0	0	26679	3077	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3050	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5705	0	0	3334	2964	0	0	0	0	0	0	13993	8472	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.28	1.76	0.0
24	C25 H44 O7	457.31598	457.31604	-0.18341702	457.3159	0	0	0	1135	0	0	26976	0	0	0	0	861	0	2545	0	0	0	0	0	0	0	0	0	0	0	0	18917	1881	1666	2106	0	1236	1623	0	0	0	0	0	3167	0	0	0	0	0	0	0	0	0	1961	1364	0	1703	0	0	0	0	0	1375	0	0	0	0	0	0	1808	0	1215	2214	0	0	0	778	0	0	1572	0	0	1206	0	1639	0	0	5542	8824	0	0	1106	0	0	0	4679	1281	0	0	0	0	0	1175	0	0	0	0	947	0	0	0	0	0	0	0	Lipid	0.28	1.76	0.0
22	C29 H44 O4	457.33124	457.33163	-0.113229625	457.33118	10163	10703	8365	10369	1371	2141	18234	17736	1385	0	0	12332	0	7369	10027	29052	67057	0	0	0	0	5855	5224	3743	14218	0	20457	0	19487	27735	17109	23483	11308	6242	0	29168	9064	16209	58369	0	0	3681	0	0	0	0	1518	0	16630	23203	7808	7270	3307	0	2952	3397	4629	20895	0	5145	16435	0	0	0	11306	1892	5363	73366	0	0	0	5771	12353	28344	48455	27309	0	8143	14792	12198	9265	1081	3961	0	5023	8080	30926	2140	6156	68696	4829	3400	6847	5905	12607	0	5985	7878	3933	7337	5058	19730	8870	1910	0	10749	7552	0	15614	0	Lipid	0.13793103	1.5172414	0.0
24	C29 H44 O4	457.33124	457.3317	-0.17599636	457.33115	33686	38143	32165	30985	13461	15605	63659	59761	14883	2033	10138	49185	6638	29436	39928	85473	181957	5914	17742	4825	2720	10474	22168	20568	49930	2454	76384	10228	57720	101712	58737	72548	43602	35030	3880	84301	32182	48282	166962	2585	6802	18656	0	0	0	5772	7187	0	65833	92226	32107	32470	23046	0	15881	18641	25652	63096	6594	22218	53679	2248	8333	13030	31915	8120	25795	189688	2190	2056	3430	24822	33854	105625	124088	94598	0	41415	56248	31332	30650	7228	17563	3134	36575	40045	112680	18592	29660	166284	22303	16728	25608	11273	6582	0	37969	37589	21326	32214	47266	69800	42041	24290	3387	42143	32527	0	55306	4866	Lipid	0.13793103	1.5172414	0.0
14	C23 H44 O5 N4	457.33844	457.33923	0.1010129	457.3385	0	0	0	0	0	4271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55801	0	0	0	0	0	0	0	0	0	0	0	0	0	1022	0	0	0	0	0	0	0	0	2891	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	293792	0	0	0	0	0	0	0	0	0	0	226562	60472	0	13043	0	0	1442	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2173913	1.9130435	0.17391305
26	C30 H48 O3	457.3676	457.36798	-0.15708864	457.36755	2208	2098	0	1824	0	0	12365	8495	0	0	0	7400	0	0	10608	5915	35000	0	0	0	0	0	0	0	10712	0	13407	0	0	22127	3578	5000	0	0	0	9285	1543	13435	32588	0	0	0	0	0	0	0	0	0	3117	13851	3078	2300	0	0	0	0	3574	4287	0	0	4883	0	0	0	3772	0	0	34189	0	0	0	0	0	22025	9639	11257	0	6224	26074	0	5793	0	0	0	0	6248	47429	0	0	26784	0	0	0	0	0	0	3534	0	2395	0	0	6890	6120	0	0	3620	0	0	12898	0	Lipid	0.1	1.6	0.0
28	C30 H48 O3	457.3676	457.36807	-0.10879881	457.36758	1245	1410	0	1618	0	0	10675	5457	0	0	2318	4971	0	0	4543	3384	11274	0	0	0	0	0	2569	0	7930	0	10009	1881	2675	11018	4343	2505	1750	1139	0	7866	792	10295	11272	0	0	0	0	0	0	0	0	0	2230	9003	2150	2269	0	0	0	0	1690	3270	0	1193	2722	0	0	0	1648	0	2063	12777	0	0	0	0	1522	13081	3311	5353	0	3197	17929	3623	3446	0	0	0	0	3999	40088	0	0	11727	1077	0	0	786	0	0	2238	1893	1514	3108	3763	3539	4076	0	0	1577	1799	0	8055	0	Lipid	0.1	1.6	0.0
24	C21 H15 O11 N1	458.07178	458.07236	0.052859634	458.0718	7607	4341	5557	4142	5923	4516	1371	2259	7214	8630	3992	1412	12720	2555	3066	1920	2111	13998	10001	4432	9323	18155	2579	1747	3319	0	2013	0	0	0	0	0	2105	0	8200	0	2266	1766	2015	5678	5053	1814	1823	0	0	7004	15091	0	0	1869	4354	3805	4500	0	13869	8856	3605	0	0	1763	1670	3820	14487	16337	2814	10175	3984	0	2476	1598	1482	0	0	0	1590	0	0	1319	6919	13431	4432	3843	1408	2398	11190	3292	5128	4586	4961	3376	0	3023	4307	20881	28752	0	5260	4838	6580	7479	9878	2176	1589	2187	6642	1394	7034	0	2313	12304	Phytochemical	0.52380955	0.71428573	0.04761905
18	C21 H15 O11 N1	458.07178	458.07242	0.025256103	458.0718	8480	4955	7929	11086	12287	5819	2545	0	13003	19086	9637	1946	30109	2988	3354	2780	2009	16840	19297	10953	21421	41334	5160	3643	1461	1601	1847	0	0	0	0	0	3969	0	24853	0	3079	2457	2573	13123	21295	2038	0	0	0	12182	24931	562	0	0	9237	10431	9169	0	18562	11981	5191	4243	1701	2480	2925	12779	27677	16874	4776	22258	4701	2566	6208	3706	5207	1465	0	0	3099	0	0	2141	9338	19598	6830	9676	2186	6986	17660	5784	6677	7014	6664	4189	0	2471	4561	41773	38817	0	10992	4012	10861	17472	19523	3824	0	0	8413	3156	8530	0	2111	24504	Phytochemical	0.52380955	0.71428573	0.04761905
20	C21 H15 O11 N1	458.07178	458.07242	0.076112166	458.0718	9634	7976	9302	5147	10718	8434	2776	0	19412	17413	6996	1293	28199	4080	3926	4993	1281	16100	10614	6740	8600	32616	5017	2788	1325	0	1243	1522	2160	0	0	0	2978	0	21968	0	3449	3612	1893	10661	13474	3301	529	0	0	10959	23647	0	1729	0	11318	6658	10219	0	12844	14462	7372	4303	1286	3207	3963	11965	24997	21554	4080	16550	3943	3848	2828	0	3341	0	2195	0	2359	1336	0	1160	10464	19380	5031	7980	1617	0	11465	7520	7178	6526	6473	7125	0	4701	4325	44307	29685	0	7507	8607	12254	15954	20209	4150	1053	3029	14208	5761	9765	0	2796	25006	Phytochemical	0.52380955	0.71428573	0.04761905
28	C21 H15 O11 N1	458.07178	458.07233	0.022356857	458.0718	5605	5169	5722	5920	7720	4642	1964	0	9379	10954	1986	1016	15307	3545	2943	3032	0	14441	13318	4930	11091	17835	4150	2271	0	0	1023	1241	0	0	0	0	3128	0	11162	0	2730	2911	2047	4979	5685	3484	0	0	0	4829	11582	0	1190	0	6378	6106	5069	0	9713	7902	3150	2701	2009	2381	2079	4976	16598	11326	3363	10898	3798	1707	2596	2917	3388	0	0	0	0	0	0	1991	6888	11928	4455	3788	1581	1680	9015	6942	5362	3323	3837	3396	3279	2560	6689	18786	23381	0	5934	7410	6931	7457	9196	0	1462	2444	6229	4649	6451	0	1911	15306	Phytochemical	0.52380955	0.71428573	0.04761905
26	C21 H15 O11 N1	458.07178	458.07227	-0.07998541	458.07175	4608	3571	4595	4033	7978	3520	0	0	10195	11237	0	0	14902	0	0	0	0	14249	10910	4967	11687	16204	0	0	0	0	0	0	0	0	0	0	1725	0	12605	0	3119	2729	0	5502	7256	0	0	0	0	0	11011	0	0	0	4024	5879	3524	0	12790	7098	0	2452	2303	0	0	6268	14137	10048	0	10782	2603	0	0	2015	3430	0	0	0	0	0	0	0	5663	7048	6162	5074	0	2478	8294	0	6292	4459	3285	4389	3000	1758	0	19905	29964	0	5206	5122	4674	6100	5067	0	0	0	0	1844	0	0	0	17336	Phytochemical	0.52380955	0.71428573	0.04761905
16	C21 H15 O11 N1	458.07178	458.0725	0.099386066	458.07184	6010	6725	5385	7467	9545	2444	0	0	13637	14709	8532	983	16752	2614	0	0	0	12454	15744	7878	16386	27882	4474	2504	0	2124	2091	0	0	0	0	0	2745	0	23236	0	3480	2155	2463	7096	19761	2256	0	0	0	7070	25986	0	0	1517	6488	7259	7147	0	8607	14144	5873	0	2021	1867	0	7475	30675	18645	5372	17175	3754	0	6603	0	5129	0	0	0	0	0	0	1109	4796	25826	4490	10390	1207	2245	16783	3951	4284	4185	3869	0	0	5183	0	38683	27876	0	6781	6108	6569	16531	14715	1706	1692	0	11325	0	8745	0	0	16024	Phytochemical	0.52380955	0.71428573	0.04761905
14	C21 H15 O11 N1	458.07178	458.07266	0.23133995	458.0719	2473	2734	2486	3269	8298	2382	0	0	11352	11073	8062	0	16296	3211	0	0	0	4772	7980	7099	12027	21516	2867	0	0	0	959	0	0	0	0	0	1558	0	23408	0	0	0	0	3825	19378	0	0	0	0	4233	11640	0	0	0	4869	0	2558	0	9083	7361	1021	0	0	0	0	7580	20036	9150	4021	10788	1405	0	0	0	3970	0	0	0	0	0	0	0	2622	0	1944	10209	0	1659	9178	3124	1593	2679	1608	0	0	0	1956	29531	25425	0	4340	3372	8141	14988	10543	0	0	2228	0	1720	5206	0	0	13692	Phytochemical	0.52380955	0.71428573	0.04761905
22	C21 H15 O11 N1	458.07178	458.0724	0.004485473	458.07178	5407	4513	4881	4564	7494	3920	1404	0	13279	12017	3085	1166	17648	4904	1217	2001	0	16139	14388	5871	9285	22550	3458	1434	0	0	0	0	1312	0	0	0	0	0	15689	0	4857	2884	1230	6119	9186	5517	0	0	443	5815	18502	0	0	0	6231	4990	7664	497	11462	5522	4697	3404	0	1606	2635	6536	17963	11918	3988	12926	5261	1479	4081	2865	3947	0	1955	0	2153	1022	319	2739	5882	15642	4293	7106	1456	2730	12069	7424	6260	4242	4469	4679	3313	3218	5128	28460	24559	0	4530	5169	8182	12443	12090	1681	1533	0	8810	4268	10070	0	3165	19894	Phytochemical	0.52380955	0.71428573	0.04761905
20	C18 H19 O13 N1	458.09293	458.0936	0.19568156	458.09302	5347	3430	4332	3617	12937	9046	0	0	17887	2184	3412	3068	26005	3446	4605	0	1309	15947	14735	3206	9413	3619	6598	1870	0	0	1334	2134	0	0	0	0	2992	1429	0	0	1919	2137	0	1666	6065	5074	609	0	447	3979	26976	1208	0	0	4247	5901	9752	0	14605	18562	4697	1702	0	3297	1559	4118	21674	16946	10680	7740	5261	1884	0	0	0	0	0	1418	0	0	487	3791	2177	8300	1908	9136	0	0	20249	7775	1954	3614	3717	1646	2363	6553	0	8983	5076	0	5623	7443	15904	14366	15436	1570	2035	1604	17112	2108	16361	0	0	24670	Phytochemical	0.7222222	1.0555556	0.055555556
28	C18 H19 O13 N1	458.09293	458.09348	-0.053994995	458.0929	3915	3136	3831	5213	7257	7308	0	0	9427	3227	3979	1190	14772	2458	0	0	0	9749	7457	5620	9290	3492	0	0	0	0	0	0	0	0	1424	0	0	0	4480	0	1971	0	0	2467	6175	0	0	0	0	6159	24004	0	0	0	3560	2563	5211	0	7258	5708	1790	979	0	1164	0	5262	9759	7749	2947	4920	3616	0	4376	1428	4852	1205	0	0	0	0	0	1635	1181	0	1430	7762	0	0	6009	0	0	3126	2313	0	0	0	0	4409	0	0	4284	4499	9748	2999	2712	0	0	0	16902	2306	6073	0	0	15837	Phytochemical	0.7222222	1.0555556	0.055555556
22	C18 H19 O13 N1	458.09293	458.0937	0.035151146	458.09293	1951	2222	4110	4100	10784	4749	0	0	12292	0	3332	2749	17727	0	3022	0	0	10249	9925	2343	3576	0	4178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1834	0	2278	3136	3663	0	0	445	5150	17667	0	0	1282	2654	3194	3278	0	9111	11566	5184	0	1700	0	1388	3193	8882	11729	2993	6866	2850	0	2513	0	0	0	0	0	0	0	386	1893	0	0	1645	9331	0	0	8224	3802	0	2729	1637	0	0	0	0	4453	7573	0	2946	5137	13911	5711	6221	0	0	0	13871	0	4937	0	0	20603	Phytochemical	0.7222222	1.0555556	0.055555556
14	C18 H19 O13 N1	458.09293	458.09366	0.07546007	458.09296	11099	10931	8048	11984	32809	15897	2080	3930	37480	8893	9967	8157	82778	13112	7241	5308	9332	47065	39304	10385	24686	17712	16502	4633	2118	0	1984	0	0	3280	2568	0	5349	3009	8982	3446	5043	6577	3161	2767	16881	21994	0	0	0	8497	34544	553	4302	6014	13866	14462	22645	0	48301	53126	20184	0	0	0	0	16674	69814	49760	17596	34272	14596	6456	0	0	3129	2029	2151	2325	5876	1479	0	6017	12203	25211	7035	11328	0	0	52551	20517	5799	16157	14464	4570	0	2173	5747	33372	13061	0	15436	12660	42898	44245	59172	7545	6635	4229	23649	6630	42818	0	1613	64908	Phytochemical	0.7222222	1.0555556	0.055555556
10	C18 H19 O13 N1	458.09293	458.09378	0.17952207	458.093	8222	7260	8110	5447	18844	6094	0	1040	23698	2563	5796	6029	35038	3175	3535	1528	5538	19604	21770	5499	13172	10364	6591	3213	0	0	1981	0	1239	977	1287	1139	5156	0	6176	3096	3273	1919	1900	0	7694	10865	0	0	0	4335	16681	0	0	2474	6805	5179	9376	0	20544	28428	10606	1913	0	5136	0	4185	36402	26987	10012	22266	7086	5832	0	0	0	2243	1216	954	3721	0	0	3301	5392	5000	4638	5424	0	0	27363	9562	2024	10172	7122	3340	0	0	4174	16276	7897	0	7452	11256	24220	27241	26749	7194	4154	0	0	4604	25625	0	1137	40372	Phytochemical	0.7222222	1.0555556	0.055555556
22	C22 H19 O10 N1	458.1082	458.10876	0.05237252	458.1082	17121	13481	14094	12967	18064	10119	3971	5619	22431	58226	21468	2392	25221	8533	5318	4971	2334	27984	19139	28016	39782	57573	10552	6641	6578	13102	2401	10500	3318	1321	1878	0	5683	3178	59049	2394	5683	5939	3492	30407	22972	6224	0	0	388	25831	44908	0	1814	4923	14713	16856	9807	473	25372	13677	7908	6275	4360	2813	4166	22266	31260	20101	8756	15143	7083	2622	19066	21779	27116	2000	1550	0	2112	2269	0	2028	12206	31933	8901	24223	5357	14886	25093	10854	14706	9541	7389	6777	5863	12227	10149	51910	67879	0	14540	14591	14300	13657	15719	6129	2695	5550	29499	5478	11062	0	6298	32510	Phytochemical	0.45454547	0.8636364	0.045454547
18	C22 H19 O10 N1	458.1082	458.10883	0.06061851	458.1082	30252	34834	35962	44194	33501	20510	7050	5930	37293	138348	62055	6579	63291	17126	9478	11773	7963	42444	43210	84660	80867	94244	16982	12227	7978	42705	5750	38598	7124	3966	5816	5385	14578	0	149914	0	16333	8085	8289	72123	66548	13214	1509	0	375	61508	74509	338	5869	6833	32600	36339	29379	341	51884	26543	14290	14644	8988	8529	12380	52130	71421	38976	11035	45114	19082	7600	53932	56897	73612	2348	4900	0	4462	0	0	5545	23740	74519	18183	56519	11353	37520	40099	18020	25838	19863	13117	19463	20141	30962	22983	96301	138064	0	32132	29921	27350	35030	30690	12382	5867	13303	45190	13741	25232	0	11785	56127	Phytochemical	0.45454547	0.8636364	0.045454547
12	C22 H19 O10 N1	458.1082	458.1089	0.108980305	458.10822	17131	11814	10809	16809	19237	8928	0	2361	22085	56757	34201	2470	23936	6687	1756	2860	3205	16263	17342	38252	52242	44274	6526	3185	2191	20308	2511	17638	3835	1800	3207	2105	5552	2247	91238	1019	4471	4865	7942	26010	52994	5557	419	0	0	25099	51369	0	1881	2437	13702	16554	11663	0	22149	17003	6997	6495	0	0	0	24540	35427	20948	5458	21767	8159	0	40669	34702	63836	1704	0	1513	2414	1356	0	3753	14234	28123	8368	22894	3004	13379	20470	7838	10050	5578	5912	13298	4174	8705	5241	55488	43279	0	14758	14330	19063	21358	18024	5086	2647	2827	20658	3998	13991	0	3139	28722	Phytochemical	0.45454547	0.8636364	0.045454547
14	C22 H19 O10 N1	458.1082	458.10883	0.020057522	458.1082	25308	26275	23991	24624	26074	12062	7430	5198	29382	108196	61746	4600	53166	10125	7128	11334	9304	28184	28782	52648	79653	86203	9782	7408	6809	39720	7286	36408	4525	3289	4048	0	12947	1579	147255	3355	8081	6978	7160	44208	66211	8866	0	0	0	45941	74153	0	5629	3772	27522	25654	17122	0	31174	27165	12481	9005	0	8334	0	41140	52457	35814	9596	33902	14063	5176	58708	63516	79319	2687	3085	0	3761	3775	0	4209	15490	61265	11385	38920	7102	28746	24163	10757	17017	10681	10769	15440	14068	13974	17317	77932	76234	0	24195	26471	25245	29899	21961	8377	4637	8349	24121	5865	21282	0	5728	42274	Phytochemical	0.45454547	0.8636364	0.045454547
10	C22 H19 O10 N1	458.1082	458.1089	0.029810391	458.1082	8626	9221	10187	8569	8050	3514	1970	2676	13380	39573	21648	0	20253	3852	3672	2458	1647	7175	10608	19072	28708	26684	4142	2356	1247	11633	0	7487	1346	0	1122	0	2430	1468	48140	0	2516	2679	2795	13796	22998	3588	0	0	0	12948	24605	0	2305	1413	5961	7437	6579	0	10690	10509	3157	4112	2390	4365	0	13636	15090	12356	1962	14040	4208	4295	20568	19024	23198	0	1033	1339	2034	2033	0	1480	6631	10457	4881	11348	1366	4287	12463	4883	3497	2970	2947	5687	0	3265	6642	24623	23845	0	7867	10124	9738	11332	13057	3037	1836	2909	0	2208	8298	0	1586	18797	Phytochemical	0.45454547	0.8636364	0.045454547
16	C22 H19 O10 N1	458.1082	458.10883	0.06347553	458.10822	34539	33637	29084	29837	34821	19856	8938	6780	42738	142665	66563	8330	54654	13031	7239	13621	9277	47131	41350	82690	106777	105059	13547	10119	8216	42127	7168	40769	4713	3225	7692	6013	12952	5114	176072	5105	10561	10207	8203	74594	71320	10574	1230	0	0	56279	76492	0	5788	5059	37446	28238	20227	0	40932	32028	15070	10855	9587	7958	11731	44230	64682	37408	9807	49315	19729	10882	58066	79350	82404	4207	3316	2956	6782	3974	0	6230	25908	81800	14762	48137	9922	44014	40894	17886	20422	13957	10661	0	22713	30751	0	102198	132565	0	36582	41290	27364	40205	36966	14806	5759	14769	43358	0	25829	0	8575	55413	Phytochemical	0.45454547	0.8636364	0.045454547
24	C22 H19 O10 N1	458.1082	458.10864	-0.022728426	458.10815	8577	8115	10566	5454	10498	5839	1201	2291	9428	36860	10144	3128	16791	5632	0	3700	1685	12571	11527	14614	23923	30686	3966	3479	2681	7055	1523	5696	0	0	1260	1019	3220	1391	36470	0	2612	2104	3060	15425	12811	1989	0	0	0	15995	20090	0	1486	0	6993	5589	5951	0	12174	7525	4029	4761	1568	2012	3063	9094	15046	14153	4180	8892	5128	1770	10705	8579	12766	2281	0	0	0	1257	0	1377	6785	23423	5977	11806	2869	7449	12314	6412	3095	2791	4569	4338	5984	8512	4004	33044	41691	0	7188	7949	7011	8715	6186	2039	1264	2716	14706	1792	7177	0	2816	17224	Phytochemical	0.45454547	0.8636364	0.045454547
26	C22 H19 O10 N1	458.1082	458.10867	-0.07660599	458.10812	4669	3492	7370	6442	7937	4299	0	0	6429	24176	5816	0	10736	2920	0	0	0	11158	6995	8791	11850	21657	0	0	0	0	0	2548	0	0	0	0	0	0	21147	0	2125	0	0	9865	9668	0	0	0	0	11387	12933	0	0	0	5555	4121	5029	0	9280	0	4454	0	0	0	0	7899	15120	8046	0	8209	2995	0	8553	9344	8232	0	0	0	0	0	0	0	5116	12493	5483	7044	0	4553	7177	0	4181	3502	0	4294	2564	4452	0	18144	30815	0	5354	0	3399	4580	0	0	0	0	5818	1887	4921	0	0	14827	Phytochemical	0.45454547	0.8636364	0.045454547
8	C22 H19 O10 N1	458.1082	458.10898	0.08648195	458.10822	4191	4925	3701	3065	5434	725	0	0	6879	15294	9839	0	11177	0	611	1618	0	3327	4962	9743	14633	14009	1949	0	0	3214	0	0	0	0	0	1101	1950	0	20834	0	1790	0	1156	5685	10031	2396	0	0	0	3608	12356	0	0	0	4797	2374	2314	0	6095	5020	1137	1203	0	0	0	5284	9506	6933	1891	7383	1644	0	10543	6315	10880	0	0	0	0	0	0	0	3524	0	930	3401	0	2981	5643	0	2513	2031	1241	2505	0	0	1233	10481	9978	0	4897	3566	5703	6394	5381	0	974	0	0	1388	2117	0	1037	8032	Phytochemical	0.45454547	0.8636364	0.045454547
28	C22 H19 O10 N1	458.1082	458.10867	-0.047109146	458.10815	4727	3553	4966	5771	4118	3921	1006	0	7149	19829	4909	1340	8644	2649	2058	0	0	9723	7479	7324	10159	15023	0	3451	0	0	1541	3280	0	0	1258	0	2212	0	18784	0	2242	1215	0	7113	7926	0	0	0	0	5805	10856	0	0	0	5395	4828	4480	0	7878	3481	2076	2287	1982	0	2165	6085	8321	5336	2015	6239	2613	1531	6844	6086	10802	1141	977	0	0	0	0	1617	5812	11250	2085	5107	1862	3646	4408	0	3663	2584	3024	1930	2246	3968	2745	13050	26770	0	4947	5412	1753	3588	3034	1930	0	2712	6824	2235	2437	0	1181	8549	Phytochemical	0.45454547	0.8636364	0.045454547
20	C22 H19 O10 N1	458.1082	458.10876	0.040698733	458.1082	25757	24591	25925	27539	33955	18708	6179	7319	37568	115274	40709	4649	41892	15793	9567	8602	4321	43455	42755	57061	71507	86143	10035	7391	8627	29677	5035	20090	5262	3469	2445	6068	13525	7158	122228	2560	10158	6964	5974	55256	45983	12608	1708	0	0	55329	64735	0	3985	4502	21094	24491	18172	237	30557	22183	15105	5987	9020	8658	9919	34632	48271	35539	10379	36778	15584	8074	34792	44321	47928	2718	2597	1291	4615	4479	0	1892	17363	64035	15183	39401	5707	34441	33013	14138	17779	10751	11712	13106	20473	23049	15393	95459	95094	0	29423	23883	26574	27782	25302	11542	4960	12427	35704	12933	21624	0	9991	49463	Phytochemical	0.45454547	0.8636364	0.045454547
20	C19 H23 O10 N1 S1	458.11154	458.1121	0.037207346	458.11157	2297	4007	4238	2083	2834	6437	1748	0	5143	9642	0	1174	8463	0	3486	5072	1998	6347	5099	8544	8423	7052	2402	2669	2063	3823	0	1875	3461	1831	0	3349	3439	2774	9247	0	3515	0	0	8663	5983	3576	0	0	0	4586	4014	0	2364	0	3458	5970	3979	0	0	3481	1324	3615	5071	1259	2009	6090	2900	1532	1887	4668	2537	0	7426	9129	7806	2457	2329	2043	0	1721	0	1241	0	4103	0	4328	1651	0	2904	2344	1578	1314	2668	2503	2594	9714	6615	7585	7690	0	3820	2622	3275	2657	2280	4563	2014	3364	33976	0	3199	0	0	6288	Organosulfur	0.5263158	1.2105263	0.05263158
18	C19 H23 O10 N1 S1	458.11154	458.1122	0.099545136	458.1116	6698	3381	5600	6391	4268	9298	2642	4219	3412	16448	4983	2466	5125	2157	4046	3358	4395	8653	7709	14466	11825	15836	3334	4160	3804	7233	2233	5655	0	2711	1958	0	5144	0	23953	3962	2693	3825	0	17502	5289	4816	0	0	0	12997	4984	0	3137	3065	6459	6014	3499	0	7972	1875	3472	3407	7110	3050	6923	14263	4971	5280	2593	8520	6183	3249	10465	8763	6367	2969	3501	2311	4012	0	0	1484	2584	6789	3308	4778	4078	9076	6051	3665	4359	4250	2642	5227	11112	16757	9004	10415	28269	0	4833	8972	3206	3357	2829	6664	2333	5973	8588	3575	6497	0	4248	9504	Organosulfur	0.5263158	1.2105263	0.05263158
28	C19 H23 O12 N1	458.1293	458.12985	-0.038407426	458.12927	14488	12738	14520	12077	15211	13877	2916	6499	12319	25855	11113	6150	13485	3981	7556	5378	5259	22592	15938	35648	47510	9099	7658	11418	2454	4690	1741	3983	5966	6115	6461	4085	7286	7863	28382	7837	4769	3930	5028	14917	23097	6211	0	0	0	40793	79075	0	6873	6462	12965	10484	10499	0	10463	8356	5942	5154	7760	6960	4682	19603	13645	7582	5964	9027	8304	5614	26384	22382	29616	8107	6860	8798	9587	4508	0	7191	4055	11135	5695	31039	3965	7011	10563	4393	3532	5088	7527	3361	2701	6320	9358	11728	11935	0	12370	14573	13667	3154	3024	6468	6186	7798	42409	6547	11664	0	2439	17535	Phytochemical	0.6315789	1.2105263	0.05263158
26	C19 H23 O12 N1	458.1293	458.12985	0.003262635	458.1293	11987	8837	12933	8046	11478	17760	0	6376	13897	18833	7550	8421	12105	4784	7378	7146	0	24515	17597	22636	35204	10811	5264	5209	0	0	1952	4177	0	0	6932	0	6652	5187	17121	0	7031	3778	3630	15109	17807	0	0	0	0	34565	75602	0	5382	6553	11253	7458	7449	0	11952	0	4026	2566	6130	4676	4976	17692	8328	9573	3623	7276	4981	7013	19434	14039	22828	7123	6111	8346	8241	2252	0	5842	2266	0	4374	27410	0	6624	13092	8426	2784	4188	6251	2868	2513	4326	5013	4974	10749	0	8426	11275	10382	6503	0	6139	4818	0	38346	5952	10094	0	0	17513	Phytochemical	0.6315789	1.2105263	0.05263158
6	C19 H23 O12 N1	458.1293	458.13016	0.0972271	458.12933	8593	8977	7122	9680	10132	6136	3097	7969	13767	14475	11006	7459	24470	4227	5412	8936	9765	15004	21380	10101	19042	12084	9280	9851	2112	1993	3738	2218	5646	6403	4790	5414	7850	6083	13594	4813	6129	5184	8757	6771	13921	8438	0	0	0	8981	19708	0	5284	5729	7695	9681	9882	0	17717	16892	6692	8797	5382	8080	7129	6146	25214	15457	8883	14769	9948	10003	6604	2647	4767	4223	6294	3904	4626	4936	0	4000	5295	3304	6407	5255	2603	2429	20663	6909	5869	8931	8240	10393	0	5887	8719	11779	9285	0	7367	10187	11202	17868	19843	9358	5754	8121	11731	9487	16558	0	3679	20097	Phytochemical	0.6315789	1.2105263	0.05263158
8	C19 H23 O12 N1	458.1293	458.13007	0.03943213	458.12933	45808	46816	22617	38564	31189	29148	12822	30741	48617	43251	40527	28202	71090	11922	23482	43259	42085	61500	69851	46808	77368	67420	36196	43080	9979	5258	12366	8855	20410	28049	21051	24820	37416	25343	64178	19078	29277	24537	33072	31965	66615	30004	804	0	0	41319	82718	0	35161	28625	33877	42054	33045	0	54257	45803	27504	18705	24085	33880	39760	27263	75256	56312	25254	44805	24767	46501	32277	10149	29469	28930	29999	30950	27928	24803	0	24602	24076	22914	23308	20842	13284	9660	52640	19504	26114	33716	34391	42534	0	13955	49663	47442	50206	0	35075	47976	44664	41032	55952	38364	28918	42782	29361	37112	47464	0	15726	67560	Phytochemical	0.6315789	1.2105263	0.05263158
20	C19 H23 O12 N1	458.1293	458.12985	-0.02333296	458.1293	46575	36585	31332	33283	56100	40084	10704	30645	56762	39146	35029	33279	71551	21304	35682	20391	26839	72672	65392	52933	92178	43997	38576	34433	10815	23805	11419	17831	26212	26476	22763	20735	20389	26954	40462	23591	28410	24203	21711	48212	65721	33042	3756	625	1173	127650	240637	1274	22020	34313	36440	37494	42918	603	58581	45484	25906	14191	26772	25686	20537	69194	45347	48248	24599	32694	26523	18805	58595	39045	66634	25331	27961	32015	33174	23570	1261	29921	17444	46435	26423	96748	10085	18825	65481	37042	15254	20766	24242	13791	14127	18028	31987	38578	28834	1199	37485	48508	57675	26551	32684	33750	24512	34243	144296	27725	56506	687	13541	73035	Phytochemical	0.6315789	1.2105263	0.05263158
22	C19 H23 O12 N1	458.1293	458.1299	0.034206595	458.1293	18667	15721	16335	18264	23058	29516	6671	16260	32525	17460	16472	17569	35993	9231	18991	11358	18222	38988	24226	35272	51737	19043	16541	10611	6767	14092	5083	0	13687	12429	10468	11830	11396	13260	22587	12275	15131	13175	9925	27031	36937	17075	3275	0	1220	61639	124042	0	12045	16745	17406	14683	22496	429	28431	19197	13431	7548	12336	11633	13084	38946	23839	24613	9480	22152	14169	9417	37299	25002	40556	15147	11133	15510	14036	12535	836	17564	13437	18111	7543	54606	5038	14618	31291	15385	7083	11728	13317	4336	5309	10390	10193	28128	25214	0	17323	21121	30705	15172	15117	12526	13267	18046	79600	14488	27475	0	6344	34499	Phytochemical	0.6315789	1.2105263	0.05263158
24	C19 H23 O12 N1	458.1293	458.12985	0.035084624	458.1293	13484	11422	9982	10009	16509	12919	2677	7768	15689	14598	7982	9320	13894	4470	9243	6059	7818	23310	16774	21450	34749	8747	8881	6599	2349	5447	3116	3356	4888	3733	4846	4956	8142	6215	9730	5963	8573	6955	5700	12979	20098	4541	0	0	0	33322	78254	0	3884	8948	9529	11379	13963	0	13290	5784	6371	3575	8082	7001	4256	18227	13355	11448	4278	8690	8115	6422	17662	13004	15617	7660	6085	9594	17589	4125	0	9299	4671	6793	7400	33817	3858	6469	16693	7212	4277	5435	5646	2311	2921	5742	6148	10790	5896	0	11795	10041	17887	4187	7473	8575	6486	9136	49911	6250	13512	0	3912	20173	Phytochemical	0.6315789	1.2105263	0.05263158
18	C19 H23 O12 N1	458.1293	458.12988	-0.013258897	458.1293	168970	161937	139640	129846	192797	156441	60841	139072	195732	164583	136160	96175	331066	98510	135084	108770	92151	319619	280132	238208	327890	171293	162718	120014	52593	79335	46750	50502	96176	104498	104260	85237	107664	75174	151650	119436	104736	87197	83415	169807	184378	123260	9656	1784	1362	371633	649379	1728	99604	126861	127166	112108	155614	1636	282682	184628	106260	83607	113930	86897	99680	213110	244243	197650	92262	161193	130763	90962	242128	119499	207905	108661	88421	117945	107846	94956	1572	91468	86795	163307	97614	349702	48924	73848	246329	134372	63865	99580	109172	43178	35400	87966	138910	171851	167300	1978	154072	187178	202687	112804	162730	132916	96817	102981	410515	111613	217694	2222	55284	286389	Phytochemical	0.6315789	1.2105263	0.05263158
24	C23 H23 O9 N1	458.14456	458.14508	0.003472537	458.14456	11243	10781	10832	10745	13501	5228	1219	2719	16174	50118	20458	1901	12370	4314	2374	3927	3377	14321	16794	19920	36259	25523	4601	6104	3350	25701	2335	10175	2030	1940	3789	0	3216	1867	40300	1447	5291	4755	3099	24023	22873	3636	0	0	0	22886	26692	0	2592	1770	11762	10902	8166	0	18576	8495	3813	2936	3098	3086	4473	15939	17158	11680	4096	12923	6514	1861	20535	39054	41705	1576	0	1955	2693	1759	0	3366	5848	15862	4584	13417	2039	13346	13764	6830	5085	2896	4296	5171	6578	7248	8890	28511	37242	0	10912	7952	8904	5168	8014	4997	2907	6095	19025	5906	7522	0	4505	18149	Phytochemical	0.39130434	1.0	0.04347826
18	C23 H23 O9 N1	458.14456	458.14514	-0.004363767	458.14456	68782	67869	52586	52553	51454	32312	18799	25010	47801	240826	122417	17039	67678	37790	21534	31539	18060	68017	63409	145121	174472	122233	26585	32859	25349	147158	16479	92951	21000	17342	20191	24416	32168	21222	245932	18071	31412	16548	22067	131136	115895	25238	1618	0	0	82621	88707	381	25772	19960	64423	58601	38086	0	60324	49187	20249	36836	23249	22347	32749	90696	72913	55741	22268	55887	33413	25970	118361	194549	177004	17996	16337	11823	14471	16592	0	13880	36978	80095	30316	74984	22234	78566	51207	27874	32030	30461	29952	37181	54089	67343	45282	107981	153855	0	61645	53124	42888	43236	39841	38989	14346	38904	57485	29048	36437	410	23653	70366	Phytochemical	0.39130434	1.0	0.04347826
10	C23 H23 O9 N1	458.14456	458.14523	-0.018356867	458.14456	15545	16216	17049	17710	12671	6429	4704	6988	15662	83603	42204	4112	20000	8431	6209	9490	6700	12639	14879	50603	57155	34928	7382	11206	5679	40469	5070	22668	5684	4526	6105	5059	11210	5807	86378	5956	8655	5699	8481	39305	44752	6411	0	0	0	27192	32290	0	7150	6371	17750	12824	8913	0	15375	11454	5230	8021	6003	6504	0	23022	19800	13948	6140	16901	8705	6940	46847	59959	68705	5223	5632	4876	5145	6264	0	3922	11002	20898	6081	22163	8325	20667	13489	5954	8943	7583	4539	16476	13110	11942	9927	36822	41075	0	16460	13481	12869	15259	11757	8227	5713	10671	0	7309	9068	0	6853	17503	Phytochemical	0.39130434	1.0	0.04347826
26	C23 H23 O9 N1	458.14456	458.145	-0.06703909	458.14453	4424	7504	4592	3517	5535	5679	0	0	6042	22058	9121	0	9316	4486	0	0	0	5316	6264	11094	14246	11468	0	0	0	7889	0	6578	0	0	0	0	2809	0	24990	0	3613	0	0	11261	11007	0	0	0	0	9687	13685	0	2192	0	5976	3916	3234	0	0	0	0	2225	0	0	0	7632	12059	7004	0	6912	0	0	11380	17841	21020	0	0	0	0	0	0	0	5159	8382	0	7245	0	4238	10676	0	6193	0	2743	2804	1588	3355	4338	13933	25017	0	4346	6218	3525	2647	0	0	0	0	6480	0	0	0	2838	11185	Phytochemical	0.39130434	1.0	0.04347826
22	C23 H23 O9 N1	458.14456	458.1451	-0.027289458	458.14453	21826	26060	27394	26110	22136	19550	5424	6132	25462	104682	56196	5434	27201	10048	7351	10630	7853	34367	27721	59281	62902	55898	15881	10689	11564	50529	4201	39493	4686	4964	5548	4526	10573	8197	93769	5432	14169	6179	8635	54386	47907	11176	0	0	0	48250	56277	0	6346	4621	22794	25258	16636	283	31801	19070	12694	10234	8892	6999	11166	41166	38004	21903	8454	29152	16531	5939	52071	80300	82222	5262	3565	3137	3792	2812	0	5871	17840	37959	15378	32472	4326	34559	31762	15318	16656	12113	14729	13975	17207	20886	17981	50390	69570	0	19980	22324	21554	24283	24652	10557	4898	11290	38441	14132	22898	0	11975	32277	Phytochemical	0.39130434	1.0	0.04347826
8	C23 H23 O9 N1	458.14456	458.1453	-0.001562089	458.14456	12183	10548	9909	11303	7597	4324	3742	2633	9707	42285	24235	3217	10273	3296	1618	5239	3503	8290	10262	23849	37571	20169	4989	6705	1185	16265	2664	14975	3834	2618	2780	3086	3632	2718	56521	1984	5219	3062	3735	19529	22162	3047	0	0	0	19997	24870	0	3820	1914	6373	9939	5470	0	9171	7626	3235	4372	1965	4674	5245	15121	12201	7450	2590	11200	3392	6392	25272	34470	43156	2718	2317	2920	3130	1989	0	3274	6136	11633	3536	10202	3465	11539	7793	0	5981	2791	3315	7045	0	11072	8227	21572	25093	0	7646	9249	11040	10662	9973	3669	2508	5477	0	3920	5393	0	2477	9700	Phytochemical	0.39130434	1.0	0.04347826
20	C23 H23 O9 N1	458.14456	458.14508	-0.13217154	458.1445	52639	47326	50194	40081	47019	25955	12040	16616	36896	160832	95398	13991	59779	31192	18401	26507	16792	51875	53697	107416	134008	127486	28957	28856	30234	109109	16095	73055	18687	14205	15154	13258	29984	13474	210206	8146	32692	21090	18624	93582	84985	23613	1653	0	0	86685	96027	0	15041	14568	50164	46422	30366	257	44729	35631	17655	26733	23045	15979	30034	75363	58871	33533	19643	45053	25324	22227	107058	148300	144071	16114	10998	7947	9354	10743	0	15713	59612	69008	40441	63789	16435	78973	39972	25540	63654	27528	23229	244560	41462	56096	168823	82789	117244	0	50588	46741	32878	29232	31428	22703	15524	30414	50069	63503	32942	0	49983	68406	Phytochemical	0.39130434	1.0	0.04347826
6	C23 H23 O9 N1	458.14456	458.1454	0.05349167	458.1446	3236	4201	2988	3722	3976	1576	905	1725	3346	16281	9137	783	5664	1300	980	1694	1695	3406	4614	10261	15981	5995	1806	1874	1299	7271	926	4500	1335	2023	1929	0	2127	949	21858	1141	2051	1860	0	7202	10886	1296	0	0	0	5250	14504	0	0	1024	2714	4008	1838	0	4248	2748	607	2676	0	2482	3803	5176	6512	3841	1040	2820	1909	2186	10844	12409	14911	1184	1063	0	0	0	0	0	3384	3845	2144	3557	1345	2888	4500	1516	3245	1470	2526	3911	0	3918	3284	7575	9548	0	3932	3820	3064	3759	3002	0	1318	2025	0	1548	2199	0	1487	5474	Phytochemical	0.39130434	1.0	0.04347826
16	C23 H23 O9 N1	458.14456	458.14517	0.004654351	458.14456	51680	61474	51121	59182	38318	29710	20698	20492	43755	215990	109437	12153	68501	24089	18823	27824	19822	60637	46010	146565	152618	116321	24289	33838	19922	134477	18579	94447	21436	19270	22939	23626	28403	15439	247576	18578	26250	14434	19691	124518	115259	19431	1459	0	0	74985	94449	0	24006	17630	56268	62053	28402	0	52050	34511	17941	32731	24729	20300	29967	72013	74542	43244	16639	53698	29771	23757	113067	185113	179593	20565	17400	11435	18902	18099	0	15313	35925	75774	28252	57383	22507	80555	40456	23875	39395	22221	26040	37700	55803	55394	37891	86605	136833	0	53389	55678	34105	34632	37042	29192	14619	30837	51059	19571	37086	0	25533	64487	Phytochemical	0.39130434	1.0	0.04347826
12	C23 H23 O9 N1	458.14456	458.14526	0.023967357	458.14456	27973	28872	20690	22385	21124	12520	7186	19696	21773	101800	65852	8387	24481	11891	9100	11189	14082	24221	25034	75795	89641	59463	11772	16436	7093	62673	9247	43262	8133	5305	8776	11185	14417	9117	143536	8662	14665	8182	14560	68581	72437	8240	0	0	0	49136	48396	0	8842	7275	29428	26752	16166	0	28348	18275	9918	17939	8989	11472	0	48716	34942	18610	7231	23341	14707	14819	76349	98837	98697	9604	7736	4901	5794	7150	0	7801	17898	29082	11870	32107	11265	37355	18455	10314	16043	8899	10874	27491	15761	27031	21036	59485	44988	0	23339	32313	22701	18528	17092	7503	6520	11738	24736	14350	14582	0	11942	33634	Phytochemical	0.39130434	1.0	0.04347826
24	C20 H27 O11 N1	458.16568	458.1662	-0.031169506	458.16568	36756	37991	45276	41086	26298	33018	15292	50252	32006	95679	30995	28890	65432	12818	37528	37562	25806	64682	47360	78062	119499	28138	32614	57764	20838	45604	12748	18406	38022	31770	36104	26634	29140	35236	60649	37788	37598	25252	27560	68427	45267	17728	4124	0	0	97752	135992	0	34498	46086	46610	33176	30576	0	56956	31940	19186	26904	24720	17646	32726	43056	34222	39702	17996	29572	17076	23234	57204	85844	63904	43522	36640	45168	28424	23008	0	27616	31482	22457	28570	65934	17258	35910	51216	24786	14194	12786	19802	12078	25234	27979	32934	18180	32888	0	45856	58702	35500	21170	29066	33480	22946	42194	74624	22062	36104	0	20040	66760	Lipid	0.55	1.35	0.05
26	C20 H27 O11 N1	458.16568	458.1662	-0.10465102	458.16565	13280	9785	13817	10676	7369	10014	1992	11992	10981	30738	5979	8414	17277	2947	7743	7767	6757	18810	13545	35735	41057	8704	9989	10124	6741	15358	2754	5952	6505	7182	8792	6830	9681	7294	24625	10651	9127	6515	6833	20270	17402	0	0	0	0	49062	114783	0	8791	13147	11511	13316	7378	0	8981	8155	4179	9314	6379	6153	9734	13707	9691	8866	3503	8150	2765	4727	19877	30835	28696	11398	11570	14104	11927	5927	0	8366	7380	5546	6584	27265	4458	9178	13597	7470	5363	4972	5592	4450	6081	5320	8396	5452	12457	0	10875	14739	5648	6952	8217	0	6902	11782	34992	5216	6889	0	3734	15715	Lipid	0.55	1.35	0.05
8	C20 H27 O11 N1	458.16568	458.1664	-0.018757716	458.16568	49561	55214	39632	47230	32317	26015	25802	58497	36660	70043	42260	33547	55113	20886	36127	57126	42129	46507	56546	88159	94264	66817	46217	54655	20511	28059	27485	23287	46219	50760	40204	45395	42504	40063	79230	51179	46880	32558	41846	52040	62226	30806	822	0	0	71556	90675	0	45657	59661	49921	46063	25320	392	56122	34372	23024	40292	46292	44855	57906	42260	53840	42732	23858	34763	31169	42688	59004	35379	54235	49139	41411	52244	36193	45531	0	33263	43124	27423	36240	37794	30054	26393	46619	26339	30974	25817	30055	38728	20172	32804	62367	37658	55841	0	46824	61050	31891	36527	34471	53513	31099	71379	54360	36756	41358	0	22477	55082	Lipid	0.55	1.35	0.05
28	C20 H27 O11 N1	458.16568	458.16623	-0.05650717	458.16565	12761	11754	12830	10745	9115	10573	4841	12180	7336	33296	9755	5717	12138	4556	7666	8852	7227	15591	11715	42758	38684	7892	8077	14481	5134	15211	2870	7545	9589	8440	9098	9267	8289	7348	30156	10550	8385	5048	9310	22041	16144	5750	0	0	0	24775	35839	0	9458	12490	11579	12627	7190	0	11210	5630	5263	6845	8287	5160	9878	13401	9689	6073	4521	6889	5938	5838	25152	37618	34444	10020	10072	13095	8934	6800	0	7541	7180	3729	5990	17781	5395	13548	9290	4205	5876	3377	4776	3952	7100	10028	9456	4654	9376	0	11969	12848	7945	4216	6030	9697	4933	9000	18809	6806	8497	0	4020	12604	Lipid	0.55	1.35	0.05
12	C20 H27 O11 N1	458.16568	458.16638	0.027874695	458.1657	202578	190631	211379	209906	166199	148182	184116	355327	209590	367475	227102	160525	241303	81301	258667	220884	246572	304406	342706	550114	571592	306331	301241	280091	169055	241991	102408	157485	296775	243540	237246	188361	249945	205209	507503	265686	210515	212381	176348	319521	292856	172029	7611	833	497	432010	475355	701	207352	285067	219713	199569	147219	1122	349618	172232	115007	188616	297795	219556	222756	292390	250883	209663	100084	202735	152169	184875	438721	300550	304321	224198	219979	281308	164421	191010	412	213224	189662	193484	188979	273526	179620	171937	218356	151513	162203	114642	157079	189094	115560	203367	283836	202032	212657	2332	219476	337005	216314	122592	160082	290579	169973	282700	351990	185059	213148	0	136825	264277	Lipid	0.55	1.35	0.05
18	C20 H27 O11 N1	458.16568	458.1663	0.011663495	458.16568	305142	254788	289625	253335	252735	228065	155439	356517	268390	445403	232454	177208	454671	127797	290811	250389	159370	458911	433234	664317	592415	273558	300075	330272	192528	328150	121940	160570	353528	299652	270118	258803	256329	269772	493505	329683	273731	205657	149108	409783	250146	211310	11393	1951	1165	597833	510719	1847	259993	307376	281643	282535	218525	2146	470452	233566	135683	211238	270661	138724	280151	327800	353017	273749	126778	241611	199901	141306	370790	457499	355900	291159	259705	355880	190329	271873	1205	223082	204307	169762	202370	388145	164999	211320	291143	211521	147995	143150	183616	106652	166373	244198	300416	166410	274798	3767	272845	343882	263774	145540	192261	277185	169153	329449	360216	210886	248566	1787	144779	364220	Lipid	0.55	1.35	0.05
6	C19 H27 O10 N3	458.1769	458.1777	0.018655557	458.17694	12190	11328	9076	9609	5627	5324	5627	12291	8330	7171	3720	6716	13428	2343	10369	14625	10627	11152	13023	7597	7518	16462	9780	11779	6010	0	4847	0	12385	8587	10297	11913	17773	9990	10717	8658	13535	9380	12409	6193	4685	7074	0	0	0	8868	6996	0	16508	8586	12825	9051	8005	0	14976	4698	4876	15442	10408	5976	12921	2708	14918	9629	4450	8784	8220	15804	0	2346	0	9473	10053	8695	4745	9330	0	7116	9192	0	6017	3405	4125	1801	5369	4981	9186	10263	10036	20018	8726	16235	32173	4167	6069	0	11316	11494	3428	5342	4849	15453	8510	9762	0	12376	4447	0	6626	15248	Peptide	0.5263158	1.4210526	0.15789473
8	C19 H27 O10 N3	458.1769	458.17764	0.005688962	458.1769	17935	17737	9559	14680	5664	6264	10528	20192	8847	9783	3250	9355	10826	2681	13965	18981	13474	12028	12073	12689	10445	29455	14330	17771	7553	1935	8666	4426	13255	10621	11321	17412	21718	9876	13010	14579	20915	12025	15559	7561	10364	8510	0	0	0	6947	11946	0	20731	12450	9567	16233	6589	0	14517	4895	6188	18213	15226	8451	19636	7082	14437	12236	5023	10038	10007	18569	0	0	0	13395	8405	11623	10952	12502	0	10830	12571	6742	7118	5651	7807	1784	5888	5708	12698	8589	12472	22499	11280	24079	36959	5917	6854	0	9564	13403	5134	4386	5950	16872	11020	18445	0	18660	5851	0	7320	16023	Peptide	0.5263158	1.4210526	0.15789473
26	C24 H27 O8 N1	458.18094	458.18143	-0.0806603	458.1809	9144	10248	11009	10756	6469	6962	3682	13190	7216	20256	11916	3712	11524	6077	8524	24543	0	12455	10922	12208	18974	19221	9074	32452	8666	19266	0	9928	5710	0	6671	0	8805	5999	20000	0	8909	4029	6225	18364	16654	7394	0	0	0	11658	13189	0	8517	0	12016	11505	6731	0	5985	0	0	17423	0	3784	31377	8257	10333	8061	3730	8184	4093	8735	26187	25385	34884	7822	4204	0	0	5931	0	6276	11484	7406	9483	7190	2897	6428	6371	0	11442	6630	5642	22319	8860	7944	37016	12596	14465	0	10839	8746	3282	7809	6254	9704	4615	7357	0	23940	5076	0	8770	13503	Phytochemical	0.33333334	1.125	0.041666668
6	C24 H27 O8 N1	458.18094	458.18173	0.034747217	458.18097	4953	5304	5338	5004	2958	3801	1627	4427	4316	12487	11137	2769	3786	2271	3302	3568	0	4070	4941	16913	24558	9242	3429	5647	2009	13682	2045	5598	3329	2586	2649	4143	3325	3298	18904	3704	6261	2604	4314	10851	11492	2482	0	0	0	8429	11806	0	4104	2871	4928	5619	2636	0	4554	2519	1555	5101	0	2670	4905	6062	4461	4381	1891	2451	3674	4797	14091	20982	22420	3691	3793	2731	1896	3538	0	2247	4041	6253	2512	3233	1710	6637	2928	2102	3105	2998	1611	5789	0	4212	6869	8554	11220	0	4900	6129	2469	2308	2447	4635	1868	5585	0	3782	2256	0	2628	3419	Phytochemical	0.33333334	1.125	0.041666668
18	C24 H27 O8 N1	458.18094	458.1815	-0.06479013	458.1809	72121	71461	67302	71139	60144	41740	33587	52748	51941	214177	130081	33455	68596	38242	43124	62857	40632	60398	80895	198844	193939	97793	40724	68499	40335	203871	39310	120649	54106	41233	49048	47380	59518	51751	206178	43610	55167	32906	46241	156295	128333	41360	1465	0	0	89435	88266	0	50841	42841	78045	71191	41298	0	64632	43969	32304	63060	39578	36642	52579	93088	66004	45376	30645	58776	41937	47430	165493	231682	245674	44323	38450	31582	41131	38872	0	31431	54520	81619	40657	51576	43811	102207	55452	37480	54519	33894	40402	70967	82140	90390	106516	74417	133925	514	76362	71318	40142	42086	43133	53503	30730	60638	47828	54323	37806	0	42181	64610	Phytochemical	0.33333334	1.125	0.041666668
24	C24 H27 O8 N1	458.18094	458.18146	-0.07902652	458.1809	17677	22253	21125	21334	20398	13867	6119	11369	18619	60015	31301	6774	30372	10116	7864	13830	6638	19972	25592	40203	42170	29631	10745	15521	12702	52980	2911	31073	10675	9641	10941	10278	10176	10346	59610	7889	16239	7939	8161	39049	37797	10425	0	0	0	35461	38917	0	13366	10508	20702	20205	15065	0	16645	13128	7816	13468	9487	9046	13471	31199	20911	14568	8224	27654	19751	10567	53535	64278	73732	10704	7859	4917	7389	6491	0	7206	14982	19740	11844	22771	9867	26877	22927	11837	18455	12316	11449	15943	16644	18301	30338	33377	35534	0	15666	19563	14593	19207	18841	10138	6972	14120	19525	11792	20433	0	8915	23622	Phytochemical	0.33333334	1.125	0.041666668
10	C24 H27 O8 N1	458.18094	458.18164	-0.014660833	458.18094	22337	16528	18376	22231	10918	9677	6624	13267	13090	63173	34922	6365	16176	6117	10603	13236	9724	8794	14591	64892	64216	32452	10642	15774	7543	57681	6568	28023	11713	9912	10326	14171	13957	10783	75116	9792	14166	8070	10165	44827	46062	7776	0	0	0	33750	30756	0	10347	8321	22242	21509	9176	0	12184	8042	5953	13096	5868	7669	10861	25415	14827	11123	5971	11695	11554	13984	49667	81087	77108	10934	12636	9129	8620	9193	0	6482	11364	16610	9724	14640	6312	26315	10956	7027	10800	8425	6278	18458	17754	12024	19284	25947	39449	0	24192	20969	10507	9885	8401	13469	7209	17130	19033	9548	6740	0	8741	14853	Phytochemical	0.33333334	1.125	0.041666668
8	C24 H27 O8 N1	458.18094	458.18167	-0.063832395	458.1809	12058	11151	11129	13455	7566	5699	3770	9783	7850	41405	22376	4180	10297	2785	5507	5421	5911	8316	10045	34877	48254	18997	5679	7005	5327	30968	3698	17628	6282	5549	6336	8498	8557	6213	45431	6410	7470	4962	7307	29131	26987	5625	0	0	0	23838	22597	0	9771	6711	10236	11577	4780	0	10482	5427	4219	10416	2085	5387	7594	15070	10149	7779	2474	6459	5945	8047	26936	47507	47071	7062	8934	6009	5571	5579	0	5050	8823	9294	5823	8165	3412	16674	5206	0	6521	4110	3807	12992	0	8973	8402	15416	32468	0	13637	9355	4925	5370	5232	7637	4614	13480	0	7189	6524	0	5242	7149	Phytochemical	0.33333334	1.125	0.041666668
22	C24 H27 O8 N1	458.18094	458.1815	-0.052653756	458.1809	50445	44405	49037	40818	42192	38733	15059	31211	38515	131187	93784	15489	40740	28289	25554	35265	18948	51970	51142	113272	125472	66101	30567	34650	27656	123789	13680	79962	30588	21085	25887	25963	35744	30152	140002	19237	41499	18786	18406	108872	76348	23635	0	0	0	70524	61606	0	31866	22802	47795	47757	39971	356	42151	34925	19106	35086	24701	21590	37523	67832	49782	37235	21912	44610	34543	24673	116641	172442	158866	26421	20646	16426	15315	20141	319	17029	33767	46624	28393	46717	22187	67604	47112	29964	31549	30745	33675	34493	39081	55900	59242	56009	82077	0	40808	52989	37255	34529	33443	37891	19990	35752	40444	37727	28965	0	25265	54600	Phytochemical	0.33333334	1.125	0.041666668
12	C24 H27 O8 N1	458.18094	458.18158	-0.051474422	458.1809	24793	23669	27896	23201	16019	12627	9615	24885	16478	78290	42772	11192	19966	9579	10748	19334	16980	18462	24792	73048	95004	44840	18225	27080	12548	69177	12591	40769	14479	11960	15572	13875	19609	12611	109520	16817	15675	9270	19685	57394	69347	10019	483	0	0	34818	41703	0	17031	18744	27690	26300	11445	0	20585	13094	9587	25731	8137	22101	0	31037	22536	18243	6882	20077	14279	17403	59748	122903	113755	14586	11351	11733	12315	14867	0	11440	21428	33514	16197	23240	11570	38537	13562	9239	20527	10372	12080	37912	22822	22931	34577	40688	38175	0	25002	30328	8921	10922	11922	11977	10043	22338	0	18630	12175	0	19679	17007	Phytochemical	0.33333334	1.125	0.041666668
14	C24 H27 O8 N1	458.18094	458.18155	-0.10389175	458.1809	40808	46366	36364	43499	22500	24033	20307	29318	27430	108311	69709	16534	33456	16597	22694	33257	30888	27523	32386	100053	106379	75164	27244	38374	22888	108369	14894	55956	24107	23364	24535	36485	32726	20619	133643	25004	29576	16642	24410	70806	75908	20193	0	0	0	45419	63314	0	32594	23395	45601	41743	21774	0	27102	17516	14701	41805	25152	29203	30401	54912	27939	21606	14274	24140	22025	28711	85925	137873	131894	24093	22008	17543	20077	22313	0	20575	28337	34598	25689	24026	21550	46019	21197	14411	28285	18429	22301	57523	44552	36843	51608	49384	63024	0	37409	38815	21899	21876	19961	28693	16156	45754	17091	29464	20192	0	25264	28979	Phytochemical	0.33333334	1.125	0.041666668
28	C24 H27 O8 N1	458.18094	458.18146	-0.11037782	458.18088	8564	6475	6715	5726	6027	2809	3197	9365	3757	11441	6328	5078	4805	2936	4405	19674	7226	4971	8660	5869	8478	15757	7678	20583	5079	8966	2743	6564	4136	4763	5622	5412	10189	5272	10908	6058	7438	5778	5825	5107	7989	5436	0	0	0	5028	6269	0	6893	6819	8263	6482	6803	0	5543	3048	2697	17339	2983	3105	19868	4640	5500	5531	2754	3912	4375	9262	16058	15114	20517	4667	4195	3552	6077	4509	0	5509	11298	6696	7527	2599	2627	3560	5280	2368	15359	6569	6444	29493	5799	8704	28537	4731	6249	0	8296	6643	3264	3648	4487	11378	3062	6786	0	18379	2544	0	8129	5968	Phytochemical	0.33333334	1.125	0.041666668
24	C21 H31 O10 N1	458.2021	458.20258	-0.06155573	458.20206	51508	59842	57372	55582	55460	42196	21078	76902	53726	141790	40576	39958	106808	19214	52206	53382	22034	90844	66198	121448	115318	50396	56920	75274	45956	49558	12732	27023	61332	62872	55740	63420	54146	52200	111396	69168	64706	31304	27456	63168	49615	31482	0	0	0	74896	66724	0	53276	67290	61476	55096	33052	0	81434	44452	20662	54902	48452	23094	64322	52570	66836	63614	22758	59870	27902	18516	53514	130136	71082	70998	67634	68582	44020	44700	0	52746	46862	23221	55420	36850	33758	42093	55810	31934	41672	24742	43444	20122	34056	49494	61494	24870	40258	0	59086	62326	39982	35548	32026	40364	35546	59552	44692	45830	34020	0	33864	100878	Lipid	0.47619048	1.4761904	0.04761905
18	C21 H31 O10 N1	458.2021	458.20264	-0.02324954	458.20206	567908	503909	536917	492175	344739	378164	296615	826143	444869	953865	374203	322252	689304	214105	634867	544118	261757	758718	799368	1139538	899964	546950	649895	736929	534784	462882	245006	318483	820699	639005	633500	583555	623276	557958	931058	739884	649114	433742	217625	648092	259119	384926	14538	2210	1426	724564	372051	1137	576016	679564	514652	509438	351154	3339	923253	365474	250428	521107	611897	188771	651702	430754	592411	493736	209954	413459	357821	222923	390383	807315	392435	661677	531822	764738	339448	604440	994	471345	404605	236684	408538	334382	351880	314638	398543	335487	328078	272473	348773	200954	426695	580331	752616	236306	442456	4117	512907	597159	330683	224792	283559	639071	376459	710563	333246	476507	336641	1469	337269	588113	Lipid	0.47619048	1.4761904	0.04761905
16	C21 H31 O10 N1	458.2021	458.20267	-0.030194089	458.20206	463751	444611	471206	467756	314530	301958	311874	782112	390117	680718	343340	329291	529170	184783	613998	558963	324492	603569	678569	945642	823986	440447	616309	740597	501013	467304	256384	289373	682232	635095	591926	563924	558236	468902	783408	691314	545840	372820	254719	555664	282458	351852	12551	2075	1196	646954	405760	1313	551710	658018	467038	459551	333478	2389	679606	328819	217101	511941	529794	260030	664122	360868	472425	403956	179456	354165	312434	260691	411475	724011	404323	635731	552267	743449	380943	494443	936	427354	388766	256470	341725	340332	360242	349798	382593	284110	319203	252557	309413	291899	373742	480883	711446	225682	419214	5237	469336	598688	280085	218097	281294	619405	344627	686976	315880	470848	310627	1522	348100	472953	Lipid	0.47619048	1.4761904	0.04761905
26	C21 H31 O10 N1	458.2021	458.2026	-0.06077525	458.20206	8751	8889	9557	8282	6074	7844	1976	10199	7166	23208	6478	4972	14454	3115	8495	9801	0	19251	11117	23521	30817	5169	9830	12459	6220	10914	3616	5170	9803	10858	7439	6861	9728	10048	22632	6558	10533	6433	2895	13469	6147	0	0	0	0	12261	13310	0	9976	11693	9932	11268	6998	0	12938	0	4408	5472	5830	4764	6146	9767	9170	12010	0	6950	3460	3060	8474	24279	19107	12382	12382	12769	7209	8679	0	7174	9146	0	6023	7193	5784	7457	10575	0	7873	5317	5618	3996	5390	6451	9488	3383	0	0	10279	11116	4794	5094	7339	9279	5203	7344	6493	8216	6682	0	4879	13559	Lipid	0.47619048	1.4761904	0.04761905
14	C21 H31 O10 N1	458.2021	458.2027	-0.069715224	458.20203	247043	224598	232685	238000	152028	166741	196509	424336	205989	314255	194983	200784	287708	101654	323023	333705	255659	318623	315281	513906	446361	266666	338750	428823	289656	310996	139361	206175	366420	354377	253511	320707	300201	225697	400277	374587	250606	226184	182918	259977	186983	211219	6626	1029	570	356950	280983	614	254176	378691	238410	224063	155313	1414	331350	182855	116056	271387	377193	191977	423952	211930	230279	225562	124839	182797	173161	178200	300923	364490	243954	277311	252236	413098	239535	261076	254	239685	230636	192531	226386	188033	190699	162408	235189	177456	196358	140109	172872	194638	192147	217852	383585	136843	218296	3255	231570	340957	160252	136645	179421	341235	197540	417093	274960	225820	177725	810	168815	209352	Lipid	0.47619048	1.4761904	0.04761905
8	C20 H31 O9 N3	458.21332	458.214	0.03637304	458.21332	14374	10136	11674	13048	2858	6058	9956	17120	5738	7426	4400	7252	9164	0	14058	15058	9634	8726	8552	9132	7474	13818	9146	15374	15154	1226	7742	9590	16154	12456	15452	20944	20340	13962	16926	11354	19792	9992	9950	3766	0	5592	0	0	0	9422	3894	0	21958	11092	11684	13672	6224	0	14794	3360	4624	18192	6996	2036	12542	3560	7772	8670	0	7708	6140	11416	0	4868	0	14086	11688	16444	5301	13138	0	8854	7640	0	5714	1930	7870	2032	3092	0	12154	5978	6446	13198	28630	45792	39986	0	7346	0	10644	11708	2884	1578	0	11654	10096	14802	0	15594	4506	0	11078	13066	Peptide	0.45	1.55	0.15
12	C20 H31 O9 N3	458.21332	458.21393	0.099691816	458.21335	3508	2529	2436	3727	1991	1034	2871	2397	2157	0	0	0	1529	847	4166	1976	0	1788	4252	2414	1612	0	4723	4575	5093	0	0	0	3626	3642	4150	5237	5313	3173	2399	3813	4027	2553	1952	2118	0	1471	0	0	0	3376	0	0	5033	1940	2150	4254	1605	0	3343	1396	1355	6650	0	0	0	0	1413	2015	1064	2652	1444	0	0	0	0	3544	0	3497	2026	4246	0	3883	2984	0	1855	731	2570	1183	1210	1540	3864	2276	3091	0	21976	13007	12857	0	0	0	2285	6216	0	1008	0	2215	2506	0	0	3819	0	0	2282	0	Peptide	0.45	1.55	0.15
22	C25 H31 O7 N1	458.21732	458.21786	-0.079308055	458.2173	69990	67480	68568	67931	65940	43953	34996	62589	53179	124725	100511	32920	45738	40210	50016	71974	51216	54341	70590	173501	167930	75383	53342	76067	59204	229564	28987	108410	58575	52036	52281	64385	68982	64193	133529	58275	77853	40262	47803	120002	114072	47723	0	0	0	82808	77517	0	59293	52483	71424	68081	52442	289	48609	42095	30614	73586	47316	43961	67234	75445	47138	47026	23921	58093	54167	52060	181575	248815	242276	61930	51675	44309	35597	48188	0	45192	50417	54601	46964	50877	45560	85891	59780	38786	55055	52956	48582	67373	70553	71628	120229	60483	86269	0	75049	78472	40609	43929	32663	74772	34374	72928	52424	66927	49697	0	48617	58868	Phytochemical	0.28	1.24	0.04
8	C25 H31 O7 N1	458.21732	458.21805	-0.03953456	458.21732	10655	10288	10354	9466	4502	3870	3345	7669	3431	22630	13361	5814	2818	2442	5588	14890	6912	2377	6779	24637	28866	11461	6728	11930	4434	22840	5052	12193	8102	9568	7643	10378	11381	8678	23824	9453	11563	5436	10416	19670	11767	4766	0	0	0	19267	12548	0	11581	10182	11926	10632	4161	0	4385	1408	3647	9177	0	2763	8435	7043	2301	3575	3042	3363	4989	13130	15839	28111	27768	9162	9879	8686	7372	6116	0	6116	7605	10942	6002	2938	2680	15642	2131	0	5296	2811	4757	13078	14802	0	12764	11664	16672	0	8297	10020	3284	2067	2168	11629	5187	16048	0	7055	2508	0	6008	3630	Phytochemical	0.28	1.24	0.04
28	C25 H31 O7 N1	458.21732	458.21786	-0.032066245	458.21732	9461	6882	6282	8258	9874	3513	2046	14290	4134	7934	6516	6145	3378	13932	2782	15705	5794	4367	6990	4353	6047	11348	8402	15255	5142	11801	2445	6349	11904	13911	11736	10638	19189	8692	7786	12337	11344	4118	5396	5538	8021	3577	1298	0	0	7664	4429	0	10226	11867	5035	9303	3802	0	2977	0	2142	17226	3566	2813	13946	1994	6795	2671	1570	7752	6265	13272	12308	15087	21161	8340	7538	16107	5619	12276	0	8721	8856	4470	9345	4132	4047	4543	5262	2129	9763	6466	8229	16353	11014	8993	17894	3174	4324	0	7114	5712	2860	5730	4614	10924	4946	7841	0	13590	2160	0	5299	5830	Phytochemical	0.28	1.24	0.04
12	C25 H31 O7 N1	458.21732	458.21796	-0.08904792	458.2173	13333	18329	17210	15260	10935	8414	8055	13350	8860	45550	23111	7298	6989	5673	9051	14818	10874	7175	12034	60478	61875	22411	11439	21904	8528	49360	11859	24982	15063	12715	9890	14726	17887	9119	55151	14442	14146	10717	16689	40478	29919	10692	0	0	0	22529	17080	0	18098	9145	11534	12520	10400	0	5496	4513	4711	18565	0	9342	0	20344	9696	8052	3036	9281	7092	21102	34032	74172	69780	12353	9751	11192	10943	12378	0	8459	12072	19710	8714	7855	5928	21388	6828	5041	14450	6790	9018	41991	21183	11079	27594	16225	25068	0	15018	16931	8098	4402	3940	13835	8053	11290	0	13659	5864	0	9990	5734	Phytochemical	0.28	1.24	0.04
14	C25 H31 O7 N1	458.21732	458.21793	-0.12591974	458.2173	22316	28895	23570	24076	11596	9340	14989	16459	12378	44940	25099	11571	9071	8292	12767	21248	21705	9986	17240	62864	61199	27585	13256	24901	14092	59321	15699	33296	13984	17788	14842	19725	25438	15003	45198	21422	18006	11386	23424	41592	37098	11749	0	0	0	20986	29089	0	20043	17383	21050	18988	9409	0	14455	6204	8061	29395	9326	18417	0	18458	6521	9940	6464	12063	12169	27119	57712	78902	69315	14292	13740	14072	17753	15299	0	11958	20143	19673	12527	10409	10028	24823	8763	8103	24888	13661	14048	42110	29728	14418	32762	15443	34988	0	23655	22759	9160	7956	8326	25720	12726	21904	0	20498	8223	0	17522	8580	Phytochemical	0.28	1.24	0.04
26	C25 H31 O7 N1	458.21732	458.21786	-0.08495845	458.2173	35547	38513	42548	38875	25106	34138	39364	35051	16766	23898	23340	16476	17947	37064	15628	57758	141755	37722	40598	26643	31823	28260	18594	61469	29262	43399	42719	26754	46693	30216	32349	37646	229774	41480	34478	36655	208501	13905	187387	21331	26760	26364	0	0	0	23573	18891	0	63161	23106	40680	32776	36330	0	15602	9161	9122	50861	7451	7685	52321	16741	15537	18229	6145	30641	36118	139404	41050	47265	63451	28169	24110	20115	54317	25348	0	20498	28384	12592	25779	9959	6903	16432	17703	15308	32343	44186	37760	55884	17391	13506	78172	12012	13208	0	37620	34955	11078	18401	20028	204242	12617	14524	10271	92390	14790	0	29109	19169	Phytochemical	0.28	1.24	0.04
24	C25 H31 O7 N1	458.21732	458.21783	-0.07561477	458.2173	45614	41771	41465	42467	36295	28524	17326	31703	33616	82290	68895	18183	36923	23925	24801	35836	25355	46377	51482	86854	95824	49980	26891	45133	32780	134968	15271	66774	30555	28745	27176	33362	40019	37661	88731	29572	50222	16739	24774	76708	68213	25121	0	0	0	52610	41847	0	35269	24127	36851	43833	27208	0	42746	29444	18940	32775	28547	21737	38370	52470	37807	29191	13451	44310	32116	25171	125220	143985	157527	34818	30222	23017	15253	24753	0	24077	31626	34733	25642	30091	25822	53621	35840	19409	36887	28073	25608	38627	46284	50663	61072	35957	46605	0	39792	38949	25230	31119	27975	43542	16190	44630	31658	39098	29049	0	24303	34026	Phytochemical	0.28	1.24	0.04
16	C25 H31 O7 N1	458.21732	458.2179	-0.13202144	458.21725	40673	32902	32066	36357	13860	11777	22694	31673	22350	44834	48415	22015	14455	13338	22890	33776	34096	16742	27837	82432	67269	45814	24645	38248	27238	70679	20772	42099	26470	28463	27585	32932	35614	21135	67715	28961	31992	16071	37545	52393	56538	19631	438	0	0	36420	31736	0	32946	27455	41357	34714	15701	0	16069	13278	13611	33412	17482	26657	28490	29220	16053	13575	9683	14740	18811	37770	59719	87752	103704	25624	22263	25888	27029	24515	0	19995	30055	30295	24951	19974	25126	38330	17520	11112	34170	18487	18329	66557	52201	37222	48232	30072	47528	0	30632	36296	11596	12092	13649	42610	20076	34902	12793	38872	13507	0	32327	19577	Phytochemical	0.28	1.24	0.04
4	C19 H31 O8 N5	458.22455	458.2255	0.2994543	458.22467	954	1309	1667	684	420	1366	0	0	0	0	0	0	0	0	751	886	0	879	0	0	0	0	657	824	502	0	0	6185	823	615	428	0	805	0	0	0	0	636	1020	0	0	0	0	0	0	0	0	0	0	0	1207	1148	0	0	454	229	0	644	0	0	937	0	0	259	0	544	0	0	0	0	0	0	677	809	0	0	0	399	710	79490	330	0	0	0	0	315	858	0	0	860	43603	14913	1410	5767	1206	0	875	1675	0	0	0	845	0	0	0	572	330	0	722	0	Peptide	0.42105263	1.6315789	0.2631579
6	C19 H31 O8 N5	458.22455	458.22522	0.30127028	458.22467	0	1519	1698	1402	0	1558	1007	1951	0	0	1052	519	781	727	2116	1577	0	3085	0	0	0	0	857	0	2138	0	744	6318	1169	1266	1205	0	1660	1066	0	706	1774	2329	0	0	0	769	0	0	0	0	0	0	0	957	938	2407	699	0	826	411	0	0	0	0	1984	0	0	0	0	0	0	0	0	0	0	1426	0	1574	0	902	0	735	668	38036	0	0	0	0	0	0	879	960	867	2000	36831	16433	4639	5084	2124	0	0	1824	0	0	854	1260	834	0	0	1585	0	0	1302	849	Peptide	0.42105263	1.6315789	0.2631579
2	C19 H31 O8 N5	458.22455	458.2254	0.17487437	458.2246	2513	2135	1059	2328	772	0	1271	675	777	649	1683	1231	841	651	1194	428	987	1257	797	0	391	676	1508	1237	0	0	0	24304	894	536	963	1186	2455	761	0	1065	1145	1310	2453	0	0	0	0	0	0	502	335	0	1025	0	1378	1372	723	0	1045	0	0	1542	224	0	425	0	460	805	0	1566	0	1820	0	0	0	1023	1688	1007	0	872	0	695	1481	144852	1144	0	0	0	603	705	1798	1275	696	2635	41550	17519	2533	11505	0	0	4045	1329	862	298	508	1010	800	402	293	0	552	0	1044	1459	Peptide	0.42105263	1.6315789	0.2631579
8	C19 H31 O8 N5	458.22455	458.22504	0.21204178	458.22464	1240	0	1077	1478	0	0	0	0	0	0	0	0	0	0	1871	0	0	47330	0	0	0	0	0	0	1477	0	0	3378	0	0	1382	1330	2239	0	0	1693	1095	0	1075	0	0	786	0	0	0	0	0	0	0	0	0	0	0	0	941	0	0	1003	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	738	0	1078	956	8348	843	0	0	0	0	0	994	0	0	0	11080	0	1909	1585	0	0	0	0	0	0	0	0	1391	0	0	0	0	0	0	0	Peptide	0.42105263	1.6315789	0.2631579
8	C24 H31 O6 N3	458.22858	458.2293	0.007440892	458.22858	10827	0	9650	8604	2393	0	5824	0	1917	6608	4492	3905	1289	2357	7113	9181	5609	3283	4056	9813	10111	12094	5311	0	8449	2865	4687	18879	8071	6754	0	0	12074	0	10106	0	9005	8939	6019	0	8686	4446	0	0	0	6670	4539	0	7928	5909	9174	8602	2957	0	3320	4319	2941	7191	1253	1199	8073	6368	1807	854	0	3349	3737	7757	0	8125	3371	0	0	6625	5395	7026	0	5372	8625	70196	4787	2213	3294	8902	1320	0	5480	3431	4506	8835	146797	61113	0	15805	11813	0	9641	6405	2844	3959	4320	0	4288	12487	0	7758	2022	0	8179	1724	Phytochemical	0.25	1.2916666	0.125
2	C26 H35 O4 N1 S1	458.23596	458.2365	-0.48077706	458.23575	0	0	847	0	0	0	1214	0	0	0	0	522	0	0	0	550	3210	0	0	0	0	683	0	0	804	0	0	0	0	0	0	0	0	0	0	0	627	311	4199	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3613	0	0	0	0	0	0	0	0	0	0	2191	0	0	0	0	0	0	0	2890	0	0	58983	0	0	2558	0	0	0	0	0	0	0	0	603	477	0	0	0	0	0	2791	0	Organosulfur	0.15384616	1.3461539	0.038461536
10	C22 H35 O9 N1	458.23846	458.23914	-0.03923701	458.23843	11711	9677	10804	9472	6988	5815	11451	14929	7766	7270	3520	7828	8007	2758	11857	15297	11854	5475	5645	11707	9225	15395	7992	19520	13974	5376	8548	7631	15909	13415	14335	14975	13850	9768	15732	17991	16322	9775	13690	9390	5970	4896	0	0	0	10754	6380	0	16416	13759	11685	8965	3794	0	12286	5020	3610	11363	7952	6080	13848	6491	5714	5706	3323	6125	4919	12143	0	6360	5523	11582	13015	20933	12779	13612	0	7984	9473	12339	10068	6032	8279	3597	7892	4193	12500	3312	5657	11994	17355	13496	19071	5008	8456	0	8386	11643	2994	5569	6926	16640	10848	16366	0	9818	5359	0	10209	7349	Lipid	0.4090909	1.5909091	0.045454547
14	C22 H35 O9 N1	458.23846	458.23904	-0.124173015	458.2384	37849	40062	34906	34785	19915	26801	33568	70549	34636	27147	18742	29737	36625	15923	52225	67850	66073	34607	46847	54887	44775	35648	52869	71572	52777	35066	30700	19114	67036	70435	39778	51150	49742	35687	32324	66909	42371	43423	56887	23075	21811	39337	0	0	0	49863	39141	0	41825	55871	33062	34424	21427	452	40420	29246	19718	47432	37988	23731	70191	21901	26606	26473	21257	25058	28930	51238	22063	36984	25116	42057	44029	71073	60990	47768	0	35745	54086	29043	35650	26058	33685	19026	38397	28280	43181	20121	27991	46851	48346	31575	64712	16993	32498	680	34856	47425	22135	27452	40585	64555	29557	64829	23941	42279	30060	0	38995	26654	Lipid	0.4090909	1.5909091	0.045454547
18	C26 H35 O6 N1	458.25372	458.25427	-0.11660139	458.25366	19004	17699	19130	14306	9816	6716	15663	14895	4317	14285	20231	12131	1589	3493	9670	18490	79756	5468	8882	27961	17097	11733	11838	16160	11172	26475	18849	17265	11581	15769	15197	20946	34364	19743	16429	15263	31587	8325	86445	12722	23888	7413	0	0	0	7268	9688	0	16766	13020	17562	14481	6183	0	5436	2635	5816	16740	4597	12359	17580	8456	4250	4486	3431	5693	5216	66710	27729	27390	42395	11578	9865	9943	19600	15766	0	6770	12064	11161	8636	6435	10265	9998	7007	7404	19176	8564	10251	53183	18453	12086	34387	10550	16053	0	18011	16541	4436	4451	3258	44059	8505	11934	4773	18167	4937	0	11284	3376	Lipid	0.23076923	1.3461539	0.038461536
26	C26 H35 O6 N1	458.25372	458.25424	-0.082769014	458.25366	24915	22263	24872	27328	24708	11451	11448	21199	19436	24998	40632	11629	17763	14922	20702	32498	18020	15829	26888	41807	44604	23556	16675	29719	31312	85441	10713	42148	25625	26987	21483	21189	26641	26844	33374	25051	27319	16557	17212	40757	36645	13237	0	0	0	24639	18364	0	20141	21661	26164	28263	23639	0	28752	20641	11894	29912	18319	13853	30127	22416	15896	18829	8606	24303	21895	18460	75265	65150	76556	20198	20090	15351	16438	21708	0	16216	31662	28834	14377	15774	22685	29240	23706	16856	40843	15647	16148	57591	30519	29020	35715	28539	16900	0	25136	24771	12484	25167	31899	34762	11051	22454	14912	26666	19960	0	28820	18346	Lipid	0.23076923	1.3461539	0.038461536
10	C26 H35 O6 N1	458.25372	458.2544	-0.02897346	458.2537	12380	11814	12789	11881	1919	2418	7709	11820	0	11642	8377	6077	0	2140	6172	14948	88529	1088	5801	15101	20009	4973	6530	12255	6867	13427	9170	8929	14799	11306	10329	15556	104763	11997	15534	13652	85234	5992	88669	6530	2151	3486	486	0	0	3315	4315	0	15320	8454	12713	14346	2239	0	1586	0	1968	11187	0	0	10012	2871	0	1376	3245	1857	3844	98924	7230	14719	17626	12082	14294	12000	11953	9791	0	9561	5172	0	3843	0	0	5836	0	1267	3818	3186	3926	24053	12856	0	19829	4440	7098	0	12967	15422	0	784	859	111955	6147	6076	0	9067	987	0	5140	0	Lipid	0.23076923	1.3461539	0.038461536
6	C26 H35 O6 N1	458.25372	458.25446	-0.043494873	458.2537	6485	6555	5856	4559	2148	8332	3662	7866	3264	1813	1428	1734	0	0	8185	10650	5367	2824	3048	3073	2919	4436	4734	8662	11067	1276	1162	13040	10591	3512	8811	8020	14998	3001	2333	8324	13628	5657	6322	1811	0	578	0	0	0	0	0	0	3847	3435	4349	5762	2628	0	2564	0	0	7858	0	0	7231	0	2784	0	408	4556	2657	5775	0	0	0	8094	2386	9125	1927	5978	0	4804	1336	0	5299	436	0	1673	2408	0	5907	0	3380	13288	25220	9104	26316	1850	2844	0	6757	9477	0	0	2432	6203	5535	2124	0	6246	2132	0	4746	4048	Lipid	0.23076923	1.3461539	0.038461536
8	C26 H35 O6 N1	458.25372	458.25443	0.03127657	458.25372	5097	4750	4723	3909	0	1912	3181	8956	778	4785	4954	6348	0	0	4198	6639	17080	0	1061	9435	8994	3044	4340	10522	5673	4116	5216	4819	6274	6210	6895	8950	14152	5212	7161	8364	15343	5772	21847	4086	0	2954	0	0	0	2866	2422	0	12791	11175	5791	4339	1484	0	969	0	1425	8578	0	0	5468	2180	0	0	0	0	2180	22338	0	5683	4425	7051	6441	5346	9026	6032	0	6072	3629	0	3569	497	0	5305	0	0	3515	1652	3144	12302	0	0	9000	2912	4287	0	5536	4501	0	0	0	14599	4376	7658	0	6926	0	0	1926	0	Lipid	0.23076923	1.3461539	0.038461536
24	C26 H35 O6 N1	458.25372	458.25412	-0.10275937	458.25366	53944	47310	50649	47817	49321	32478	22445	41762	36117	59447	76217	30641	40249	27447	37982	66739	45348	33184	54224	93250	96557	95000	40513	64619	39262	153723	22604	78399	50199	51240	41631	52527	51642	49158	58692	55143	58886	27889	45278	71846	143302	36322	0	0	0	44450	45631	0	53873	45504	46158	50355	38451	0	41005	27571	25620	61183	32119	32790	62228	48548	29309	32594	15061	50907	40352	54161	130675	129784	158796	51708	41680	36843	28586	42863	0	34058	43324	40546	32847	35045	33820	48977	38192	24133	55390	33840	36770	97732	64451	75476	92414	50727	53066	0	51636	56123	32133	60788	37732	60782	25420	60760	31149	57775	36978	0	39983	32425	Lipid	0.23076923	1.3461539	0.038461536
12	C26 H35 O6 N1	458.25372	458.25436	0.004807974	458.25372	25133	16698	24128	23694	3881	3427	9172	8459	1137	15407	13661	5929	0	2573	10351	13393	64077	2172	2787	21662	21319	0	7309	12534	10192	19857	9915	16595	18847	10307	12929	14837	1343088	11263	20680	20906	2269185	7062	57308	13742	0	2926	0	0	0	8703	7332	0	13908	7976	19644	24376	2557	422	0	0	2082	10150	0	0	0	3224	0	1501	2501	1781	6173	61841	0	23549	18528	10934	12279	14838	12645	10909	0	11115	5424	0	6798	0	0	6994	0	0	2434	4023	6694	43541	11275	0	27078	6965	8171	0	22874	21826	1870	979	0	273776	7761	6191	0	19326	1460	0	4965	0	Lipid	0.23076923	1.3461539	0.038461536
16	C26 H35 O6 N1	458.25372	458.2543	-0.0197261	458.2537	9475	8103	8060	13061	3593	2049	5549	8296	3141	14965	13075	5353	0	3571	6442	9717	16530	1741	4723	18807	20807	7266	4278	9672	3422	22272	7078	9019	12041	8866	11364	11668	23645	7818	14948	10914	28481	6339	17365	15002	6517	3560	0	0	0	4600	5268	0	10320	9184	9663	9429	3518	0	0	0	3685	14909	5397	6646	9217	4134	0	1324	3005	4053	6440	18252	14207	23547	25763	7570	9841	9159	13135	12377	0	4798	4675	6984	5524	1868	3412	7818	1313	2233	9724	4433	3449	63473	10139	5627	0	4173	7946	0	12135	10172	1658	1093	1672	22070	4560	8088	8324	14139	0	0	8472	0	Lipid	0.23076923	1.3461539	0.038461536
12	C19 H39 O11 N1	458.25958	458.26013	-0.09935695	458.25955	0	2831	4205	4865	1437	2039	0	0	0	13486	11306	0	0	0	0	0	0	0	0	1387	0	0	0	2745	0	0	3128	21356	1775	908	0	0	0	0	2464	0	2109	0	0	8383	0	1249	1321	752	1092	8189	4636	1104	1247	0	4805	2916	934	1242	0	0	846	0	17917	0	0	8842	18694	0	0	3225	895	0	0	6751	0	0	0	2525	0	961	1153	1122	0	0	0	2490	0	0	0	0	0	1128	0	0	9455	9548	1863	0	4181	0	0	5620	9072	0	0	0	0	6092	340529	0	0	1098	0	4214	Lipid	0.57894737	2.0526316	0.05263158
14	C19 H39 O11 N1	458.25958	458.26016	-0.12530702	458.25952	3953	2661	7076	3738	6515	4775	5588	1720	5265	6925	7120	3166	2953	3639	4021	0	3044	1874	0	2376	0	0	2855	0	3713	1380	5882	30726	0	1934	1624	0	1567	2122	0	2262	0	4313	2431	2698	5244	2198	20085	6944	4602	5007	5208	8458	2595	1226	5925	3097	3480	7198	1635	2413	4556	3332	18460	0	0	13318	28530	2119	4941	8208	3693	2135	0	6759	5556	2723	3423	2136	0	2938	5262	2174	3012	0	3469	5330	2018	2686	5060	4959	2155	3083	2125	0	10352	0	0	3632	1899	6625	4915	3015	3988	4215	3483	0	1935	8348	185245	2205	2914	6788	2421	7900	Lipid	0.57894737	2.0526316	0.05263158
2	C20 H35 O7 N5	458.26093	458.26163	0.083948776	458.26096	1269	706	1075	0	0	0	0	0	0	0	1215	0	0	0	457	0	0	0	0	0	0	0	0	0	0	0	0	20268	455	0	0	0	558	0	418	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1033	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	171178	0	0	0	0	0	0	698	0	0	0	53746	14305	1028	9138	0	0	800	1452	431	0	0	0	400	0	0	0	0	0	0	0	Peptide	0.35	1.75	0.25
6	C20 H35 O7 N5	458.26093	458.26147	-0.06833491	458.2609	2007	807	1777	1753	0	1544	0	0	0	0	1032	0	0	0	0	0	0	0	0	0	0	717	0	0	0	0	0	84161	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1585	1192	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	93458	0	0	0	0	0	0	0	0	0	0	149861	40662	0	8082	1457	0	924	1601	0	0	0	0	0	0	0	0	0	0	0	688	Peptide	0.35	1.75	0.25
4	C20 H35 O7 N5	458.26093	458.26187	0.11474494	458.261	2310	1400	1636	1101	0	2929	0	0	0	0	1528	0	317	0	0	802	0	264	0	0	0	0	0	0	0	0	0	15193	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1721	1848	0	0	0	0	0	0	0	0	0	0	231	0	0	435	0	0	0	0	0	0	0	0	0	0	0	0	0	223177	0	0	0	0	0	0	0	0	0	426	145859	36210	0	12534	0	0	1283	1575	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35	1.75	0.25
6	C25 H35 O5 N3	458.26495	458.26566	0.22498576	458.26505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	698	0	0	0	4184	0	0	0	27957	0	1232	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17257	0	0	0	0	0	0	0	0	Lipid	0.2	1.4	0.12
16	C27 H39 O3 N1 S1	458.27234	458.27325	-0.25209954	458.27222	3200	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3584	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68812	20645	0	8160	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1713	0	0	0	0	0	0	0	0	0	61818	43338	0	0	0	0	0	Organosulfur	0.11111111	1.4444444	0.037037037
18	C23 H39 O8 N1	458.27484	458.27536	-0.11582853	458.27478	8876	10196	10848	7825	4265	7831	16397	15156	6549	2699	4152	9404	7325	5286	13496	19419	10731	6469	9423	2001	2370	3113	7615	10078	9962	2852	16553	5933	19808	29738	16209	15161	16465	16007	3693	22204	14787	11786	14956	2053	0	8651	591	0	0	4988	2659	0	19822	16643	7914	6684	6264	0	11294	10153	6347	16343	4308	4606	20262	2470	5378	7221	6664	10588	11204	9083	1610	2043	0	25211	9704	22431	14120	9637	0	15078	10746	3890	6301	2949	15806	10158	10828	7246	11609	4213	7823	9671	10043	11655	9595	2506	2640	0	11527	9847	4846	10496	11915	17009	7712	8369	4068	6811	7304	0	9460	4331	Lipid	0.3478261	1.6956521	0.04347826
24	C23 H39 O8 N1	458.27484	458.2753	-0.14731619	458.27478	32538	30345	33348	30182	29752	29327	62950	34994	34190	32796	17456	11399	53753	28583	37384	29885	12766	54406	70529	36661	24057	30655	21392	28220	36434	9445	37412	25412	46921	33146	28814	40026	50021	29517	46522	40551	59994	26973	12671	22705	5212	23080	1927	0	0	21266	7793	0	36164	20925	31147	30638	31106	0	68175	27672	18640	33603	38394	6994	39164	17933	48317	38251	19855	51898	48707	9332	3713	25137	5720	29356	37836	35890	10303	29047	0	26724	27860	12714	18761	13204	44661	29382	29416	23452	30603	16619	30283	29245	72838	65246	49152	18908	24977	0	30955	36888	18666	23234	21200	47214	15957	35411	29475	37455	30136	0	23045	46049	Lipid	0.3478261	1.6956521	0.04347826
26	C23 H39 O8 N1	458.27484	458.27518	-0.11840398	458.27478	5007	4382	7290	6214	5703	9434	9789	9919	9904	9340	3026	0	13701	4947	0	7052	0	13109	18856	7681	5209	5431	0	6666	8713	0	6554	5638	9786	0	7798	7400	11091	5300	11500	6745	19343	4580	3416	4683	0	0	0	0	0	0	0	0	5320	0	4759	7651	9057	0	10602	5880	3148	5702	9790	0	5855	3806	10451	6706	3880	15138	12257	0	0	4675	0	6630	6615	7660	0	4766	0	5276	2600	0	0	4156	6870	0	0	0	4725	4475	5621	3572	20646	19986	5384	0	0	0	8086	5307	3594	5071	0	6534	2968	0	11405	4845	0	0	4259	10420	Lipid	0.3478261	1.6956521	0.04347826
20	C23 H39 O8 N1	458.27484	458.27536	-0.13466787	458.27478	25890	21252	22521	19509	21458	17827	56799	28392	18773	8574	6973	16267	37375	16361	29107	28033	24117	25014	39870	12486	15396	15280	21741	22744	21918	12489	36293	12421	33879	25139	23606	30263	35225	26442	9865	34338	45156	21701	14584	8735	5554	16214	1605	0	0	13167	6268	0	28411	22477	25372	23807	18692	0	27477	24318	12022	22357	15660	6986	30028	7751	25643	21430	16155	28328	28169	14891	4595	11162	5193	20025	26499	27373	26649	25677	0	15566	14855	10097	13730	4804	69339	57988	19526	20743	26128	17376	16606	14848	33963	30519	29414	6321	6752	0	22240	31131	14156	22053	31559	38403	17181	20121	14651	17717	21649	0	20651	23921	Lipid	0.3478261	1.6956521	0.04347826
14	C23 H39 O8 N1	458.27484	458.27536	-0.042454716	458.2748	3267	3520	4369	4613	0	0	8102	7315	0	0	5472	7775	0	0	7419	17655	4814	0	0	0	0	0	1467	2823	3980	0	16482	0	7064	21487	20416	7259	8422	2603	2190	15331	3915	6436	4942	0	0	1292	0	0	0	1601	0	0	15366	9851	3912	6220	0	0	0	0	0	19773	0	0	0	0	0	0	4752	0	1455	6232	0	0	3573	10451	7090	18458	6794	12929	0	14870	2163	0	2182	0	0	874	1184	0	3120	0	1814	3699	4455	0	2799	0	0	0	5137	4963	2098	1658	0	12454	10312	0	0	7960	1276	0	3505	0	Lipid	0.3478261	1.6956521	0.04347826
16	C23 H39 O8 N1	458.27484	458.27542	-0.06859881	458.2748	12893	16358	12656	12305	0	2404	10323	17570	2977	2106	2841	15590	3256	0	10535	118987	7520	0	3785	2659	0	2392	5421	4336	11955	1447	12362	3284	11688	82574	78485	11977	7668	8518	0	21710	11014	7071	7366	2160	0	2958	287	0	0	0	2304	0	44332	26048	14551	11007	2396	0	1712	3187	1362	122954	0	0	101627	0	2215	3125	1702	0	3048	6736	0	3891	0	54223	13777	36084	10309	23408	0	39406	2473	0	2581	0	3599	1883	4938	4773	4084	2178	1604	0	4240	3118	0	0	0	0	10722	10733	1136	2534	5164	10512	23097	0	0	44294	2142	0	6431	0	Lipid	0.3478261	1.6956521	0.04347826
16	C27 H39 O5 N1	458.2901	458.29074	0.018144915	458.2901	0	0	2646	0	0	0	1601	0	0	0	1784	2905	0	0	1694	6087	0	0	0	0	2030	0	0	2193	4357	3397	2431	0	0	4575	5415	0	4836	4766	0	1966	62748	0	0	0	0	1713	0	0	0	1077	0	0	1755	2508	1619	2031	0	0	0	0	0	2296	0	0	0	0	0	0	0	0	1184	2939	0	0	2040	4002	3401	3483	6487	2168	0	1787	0	0	0	0	0	0	0	0	0	0	0	0	3826	0	0	0	0	0	0	0	0	0	0	6010	3348	0	0	0	0	0	0	0	Lipid	0.18518518	1.4444444	0.037037037
10	C27 H39 O5 N1	458.2901	458.29074	-0.10244866	458.29004	1907	1456	2407	2621	0	0	2195	7442	0	1165	0	8208	0	0	1559	10519	2846	0	0	1622	1547	0	2608	16739	2804	0	3387	0	6754	6455	7804	6428	7257	4704	0	5050	7001	2094	1832	0	0	897	0	0	0	0	0	0	7353	8244	3196	2745	0	0	0	0	1083	5568	0	0	0	0	0	0	0	0	2309	8635	0	0	0	4575	3093	8099	4779	5634	0	5272	1327	0	1186	0	0	1332	0	0	0	0	0	14647	0	0	16687	1016	2320	0	2503	2708	0	0	0	9643	6017	0	0	30922	0	0	1780	0	Lipid	0.18518518	1.4444444	0.037037037
14	C27 H39 O5 N1	458.2901	458.2907	0.074706346	458.29013	1865	2827	3934	3232	0	0	2390	7508	0	0	4313	5997	0	0	2052	2347	0	0	0	2268	1492	0	1794	0	4986	2579	3628	0	3615	5760	3050	0	48814	4223	2294	5590	39141	1321	0	0	0	0	0	0	0	0	0	0	3579	4853	2141	0	0	0	0	0	0	0	0	0	0	0	0	0	849	0	945	5855	0	0	0	3216	5034	4341	4083	4736	0	7141	0	0	0	0	0	948	0	0	1163	0	1157	0	4377	0	4090	0	1599	0	0	3965	0	0	0	54161	6009	0	0	14596	0	0	0	0	Lipid	0.18518518	1.4444444	0.037037037
12	C27 H39 O5 N1	458.2901	458.29074	-0.027175568	458.2901	1848	2360	0	2357	0	0	0	8617	0	0	0	15159	0	0	4060	8625	1972	0	0	2121	2006	0	1664	7445	7274	1306	3511	0	7950	7813	12350	5453	11318	6221	1679	4522	7835	4393	0	0	0	1670	0	0	0	0	0	0	5055	8083	0	0	0	0	0	0	0	7208	0	0	0	0	0	0	1055	0	1675	7338	0	1924	0	5724	5129	3765	4510	5170	0	13016	1200	0	1284	0	0	0	0	0	1441	1541	0	15267	3199	0	14512	0	9227	0	1785	2350	0	0	0	12497	10943	0	0	22240	0	0	0	0	Lipid	0.18518518	1.4444444	0.037037037
4	C20 H43 O10 N1	458.29596	458.29688	0.3211205	458.2961	3345	3171	3602	3274	0	1448	0	0	1973	24671	24780	0	0	0	781	0	0	0	0	1219	1238	1581	0	389	0	0	0	150878	1348	0	713	0	0	0	10098	0	0	409	0	834	0	1468	0	0	0	0	0	0	0	0	3161	2912	0	0	10739	0	6981	717	0	0	0	0	736	8159	3815	0	5416	0	0	0	0	0	341	0	0	0	0	276	466	341702	0	0	0	0	0	2085	1761	588	0	0	78939	20552	1376	27343	12612	0	3461	3499	2505	0	0	0	0	0	0	818	323	0	0	547	Lipid	0.5	2.15	0.05
14	C20 H43 O10 N1	458.29596	458.2966	-0.006917297	458.29596	13471	22281	15129	11722	10076	9899	9399	8605	7941	34361	40152	7610	8379	8795	7634	7303	8059	4092	6846	6797	10139	13602	5715	4493	7094	7316	10332	19300	4995	9481	6207	7965	7287	3798	18356	4284	7072	5417	10835	27010	27389	5969	13977	10395	12172	23781	47158	13670	7518	9565	13916	15251	8875	20035	6211	8550	11739	8168	415537	11453	0	62523	13307	7619	8224	8504	7240	13586	0	4817	8719	6924	7094	4086	6427	6620	10916	5763	4621	14485	5924	7821	7446	9953	9673	8031	6337	10753	8627	12513	10111	7348	9694	11668	8472	11935	13830	17967	12032	7677	6479	8632	6753	36260	1318281	12019	7169	11202	5194	8922	Lipid	0.5	2.15	0.05
10	C21 H39 O6 N5	458.2973	458.29773	-0.05151899	458.29727	2587	2596	3631	2422	0	1040	0	0	0	0	1606	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53005	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2106	1081	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	127303	0	0	0	0	0	0	0	0	0	0	301918	111836	0	8984	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.8571428	0.23809524
8	C21 H39 O6 N5	458.2973	458.29803	0.10612958	458.29736	2276	1854	1436	1112	0	3878	0	0	0	0	3599	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	75072	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3370	4542	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	210173	0	0	0	0	0	0	0	0	0	0	308334	142393	0	15886	1279	0	2825	3171	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.8571428	0.23809524
12	C21 H39 O6 N5	458.2973	458.29758	-0.12820907	458.29724	0	0	0	0	0	0	0	0	1291	0	0	0	0	843	0	0	0	0	0	0	0	0	0	0	0	0	0	20474	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	60348	0	0	0	0	0	0	0	0	0	0	83238	26523	0	2940	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.8571428	0.23809524
6	C21 H39 O6 N5	458.2973	458.29797	0.07028584	458.29733	1117	1138	1762	1622	725	3968	0	0	5300	0	1380	0	0	1294	0	840	0	0	0	0	0	0	0	0	0	0	1068	74134	0	0	0	0	0	0	0	0	0	0	0	1241	0	1526	0	0	0	0	0	0	0	0	1837	0	0	0	0	0	1461	0	0	0	0	0	1401	3012	0	2335	1293	0	0	1346	0	0	0	0	0	0	0	0	0	133439	0	0	0	0	0	0	0	1102	0	0	81182	38281	0	5778	1316	0	1214	1094	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.8571428	0.23809524
2	C28 H43 O2 N1 S1	458.30872	458.30908	-0.38998356	458.30856	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	54359	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	93004	0	0	0	0	0	0	0	0	0	0	8997	940	0	874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.071428575	1.5357143	0.035714287
4	C28 H43 O2 N1 S1	458.30872	458.3089	-0.5984306	458.30844	0	0	0	0	0	5633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9870	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57098	0	0	0	0	0	0	0	0	0	0	34341	872	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.071428575	1.5357143	0.035714287
6	C28 H43 O2 N1 S1	458.30872	458.30923	-0.55398774	458.30847	0	0	0	0	0	1496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2764	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24369	0	0	0	0	0	0	0	0	0	0	12050	0	0	1848	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.071428575	1.5357143	0.035714287
26	C24 H43 O7 N1	458.31122	458.31146	-0.1913768	458.31113	2741	0	2158	3111	2954	0	65956	0	0	0	0	0	0	9986	0	0	0	0	7657	0	0	0	0	0	0	0	39575	7973	0	0	2546	0	3987	0	0	0	2513	0	0	0	0	0	0	0	0	0	0	0	2190	0	3672	3790	0	0	0	0	0	2118	9707	0	0	3073	3934	0	7425	10181	19731	0	0	0	0	0	2673	0	0	0	0	0	0	0	0	0	15122	7936	0	0	4506	0	0	0	14795	14692	0	0	0	0	3002	0	0	0	0	0	0	0	22848	2281	0	0	0	0	Lipid	0.29166666	1.7916666	0.041666668
24	C24 H43 O7 N1	458.31122	458.31168	-0.13041508	458.31116	4802	4878	3741	3724	1276	2250	129843	2720	1693	1602	0	0	3166	9118	2023	3801	4403	2202	3602	0	0	1584	0	0	3162	7332	89544	8304	3852	1574	1732	4035	3966	3732	0	4314	4397	1415	3279	0	1304	2035	6488	0	0	1338	1521	0	2407	2870	6049	4681	1793	0	2874	1313	1213	3674	3916	2927	4091	0	4993	1912	8633	9310	9061	2629	1119	0	3133	2431	2497	2416	1696	2074	0	1637	1351	2932	0	1465	38123	26950	1256	3540	4870	2799	3015	3972	17969	13356	2935	0	0	0	4629	5030	1384	0	3460	4453	0	2167	10726	1611	1841	0	1896	2288	Lipid	0.29166666	1.7916666	0.041666668
22	C24 H43 O7 N1	458.31122	458.31177	0.025731483	458.31125	0	0	2170	0	0	0	50323	0	0	0	0	0	0	0	1443	1505	0	0	0	0	0	0	0	0	0	4475	34596	1557	0	1755	0	0	0	1098	0	0	0	0	3017	0	0	1165	0	0	0	0	0	0	0	1223	3118	0	0	0	0	0	0	0	0	0	0	0	1762	0	1928	0	1623	1732	0	0	0	0	0	0	2729	0	0	0	0	2507	0	1094	31420	25187	0	0	2416	0	0	1852	0	0	0	0	0	0	0	1945	0	0	1539	2460	0	1150	0	0	0	0	0	0	Lipid	0.29166666	1.7916666	0.041666668
26	C25 H47 O6 N1	458.34763	458.34735	-0.10207765	458.34756	0	0	0	0	0	0	60016	0	0	0	2227	0	0	11089	0	0	0	0	0	0	0	0	0	0	0	0	46501	3568	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7077	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3190	6023	0	0	0	0	0	0	3325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.24	1.88	0.04
28	C20 H10 O13	459.0194	459.0199	0.03432653	459.01944	4197	3841	4159	5954	10661	4303	2483	0	13087	0	0	2028	18984	5566	3035	2780	0	18642	16454	0	0	2516	5822	0	0	0	1493	0	0	0	1249	0	3285	0	0	0	2295	2923	0	0	1756	3654	0	0	0	0	0	1866	840	0	4652	4117	6642	0	9401	8637	2982	1927	0	0	4262	0	22112	11047	2900	14247	3558	2918	0	0	0	0	0	0	0	0	0	2110	8309	0	7661	0	0	0	14602	6665	5757	4640	5189	3604	0	0	1969	1920	2232	0	5111	5711	8103	9025	13676	4129	1287	0	0	0	8332	0	2283	19013	Phytochemical	0.65	0.5	0.0
18	C21 H14 O12	459.05582	459.0564	0.001897948	459.05582	22052	24998	20812	23872	57512	29244	10498	4994	69497	16226	14752	4784	97824	20212	6170	2912	0	64520	56091	7020	15756	64014	19646	5204	2820	0	3572	6054	0	0	0	0	11596	0	31128	0	6706	11310	3084	8138	16642	15360	1482	648	0	16766	32987	2492	0	0	30124	16352	36236	0	70891	68070	24640	5840	4816	11108	5712	21252	150904	60622	20706	90644	17920	5264	5998	4692	5428	0	0	0	2506	0	0	5492	26426	37510	24380	24022	2322	0	88984	31428	25116	18904	14904	7188	0	6742	5738	82440	48036	0	21308	25342	66094	94538	82312	7402	7662	0	23310	4188	48930	0	4396	96224	Phytochemical	0.5714286	0.6666667	0.0
20	C21 H14 O12	459.05582	459.05646	0.102364	459.05585	9251	9745	9579	12542	29919	13593	3691	0	26464	5715	5528	4362	50815	15559	6014	0	2191	29843	30799	4993	8084	23763	7879	3942	1640	3028	2960	0	1727	0	0	0	3908	0	12318	0	2969	3181	2157	4354	5200	7953	1148	0	366	7913	13591	1349	2218	0	14967	10190	21432	0	23945	28649	12423	3365	2162	2617	0	4707	50508	30373	7633	30160	8416	4315	1436	0	2154	1754	0	0	2711	0	412	2751	15916	13575	16649	8263	1452	0	37722	17393	12811	8053	11955	6546	0	5949	3952	25400	19162	0	8973	11987	20615	36984	41606	2520	3246	2772	10198	3223	25823	0	2835	58424	Phytochemical	0.5714286	0.6666667	0.0
28	C21 H14 O12	459.05582	459.05637	0.09774189	459.05585	10719	7630	8211	8509	20856	12217	3665	0	19562	4508	2579	1934	40720	11938	5265	2095	0	28885	28345	3876	4953	10701	7538	2408	3115	0	2926	0	0	0	1837	0	3912	0	8595	0	4906	4074	1776	2271	5016	3364	0	0	0	3848	4894	1618	1581	0	11456	8930	13988	0	28746	18046	6309	2126	2591	1406	0	1909	43224	19271	4783	27976	6551	2127	2686	2541	2482	0	0	0	0	890	0	1840	13306	4703	13871	2679	1269	0	32832	12486	9392	4891	6316	3170	1853	2294	3519	11649	12410	0	10444	8770	12122	21651	27288	2222	1996	2691	2787	1736	18531	0	3531	39238	Phytochemical	0.5714286	0.6666667	0.0
24	C21 H14 O12	459.05582	459.05637	0.04411875	459.05582	9359	9425	6263	5610	23195	10610	1654	1316	22815	3686	2426	2079	40321	10578	4927	3350	0	25498	28485	2328	3511	11422	9157	3256	1970	0	0	0	0	0	1298	0	2063	1002	5637	0	3036	3964	1790	2170	2368	4060	0	0	0	1345	7000	0	1230	0	8354	8216	14007	0	28353	22599	8875	5162	1013	2542	2459	2012	41627	24064	4830	22019	7256	1581	5115	0	2371	0	0	0	1359	0	0	1157	16787	5193	15364	3894	0	1321	33148	15122	8280	5965	7831	2099	0	1266	2086	11901	17703	0	7379	7515	16021	27055	29203	0	1163	1970	5477	0	14435	0	2953	42103	Phytochemical	0.5714286	0.6666667	0.0
16	C21 H14 O12	459.05582	459.0565	0.0991857	459.05585	6538	11699	7273	10490	27989	8969	1429	0	29774	6198	6754	1884	37616	6732	2830	0	2722	23837	23590	4964	6737	24588	5472	0	0	0	0	0	0	0	0	0	3520	0	18059	0	0	3676	0	3508	8781	2764	0	0	0	5470	16999	716	0	0	9681	9480	16504	0	23821	23564	10532	2956	1741	2177	0	5408	53006	27154	8433	36987	4322	1662	2785	3020	2278	0	0	0	0	0	0	1128	6147	17702	5934	10830	0	1290	36236	11116	7694	7577	9827	0	0	2300	0	32861	16520	0	10926	7032	20781	37252	33406	0	1484	2428	11966	0	22592	0	1428	39223	Phytochemical	0.5714286	0.6666667	0.0
14	C21 H14 O12	459.05582	459.05655	0.07245894	459.05585	3717	3324	1712	3877	14555	2818	0	1318	20016	6122	3151	1877	24978	2169	1580	0	0	10343	11451	2322	9138	16655	4247	0	0	0	0	0	0	0	0	0	1878	0	14795	0	0	0	0	1940	6683	2381	0	0	0	2465	8426	0	0	0	3915	6608	7232	0	10774	12888	7171	0	0	0	0	2978	35762	18500	4067	21724	3646	0	0	0	0	0	0	0	0	0	0	1282	2629	0	5056	5796	0	0	21306	5375	2303	3171	5842	0	0	0	2571	29377	10398	0	3418	3377	16512	25006	17743	0	1342	0	0	1877	13535	0	0	18589	Phytochemical	0.5714286	0.6666667	0.0
22	C21 H14 O12	459.05582	459.05643	0.021522842	459.05582	10642	9787	8381	8057	22420	11556	1589	2520	31884	8857	2938	3919	34290	9745	5139	2290	1626	34146	25856	4227	4989	16332	8037	0	1600	0	2729	0	1208	0	1450	0	3009	0	6701	0	4826	5646	2415	3416	3532	4581	0	0	580	4624	10943	3173	1720	0	8543	9587	15619	292	25658	27424	12334	0	1460	3753	2623	1769	45357	30191	9398	30843	5115	2819	1666	0	0	0	0	0	0	0	808	2669	19332	8814	14964	5576	0	0	37019	17362	13062	5693	8276	2479	0	3983	2422	21056	18550	0	6676	10660	18303	40030	32072	2069	1769	2914	7502	2041	25552	0	2764	40896	Phytochemical	0.5714286	0.6666667	0.0
26	C21 H14 O12	459.05582	459.05627	-0.019880183	459.0558	6986	9373	7415	12054	24395	11714	1616	0	20137	5607	0	0	41512	9791	0	0	0	44704	26946	0	0	11248	7957	0	0	0	2273	0	0	0	0	0	4326	0	7670	0	2835	4493	0	3082	2820	0	0	0	0	0	0	0	0	0	10013	9657	10383	0	27012	19078	8012	2398	0	0	0	0	42587	24417	4383	28908	3981	0	0	0	3897	0	0	0	0	0	0	0	16364	0	19404	0	0	0	31432	14549	8834	5203	8124	3476	0	2079	0	11153	15384	0	13980	6358	11198	23758	32945	0	0	0	0	1813	19661	0	4172	41525	Phytochemical	0.5714286	0.6666667	0.0
12	C18 H18 O14	459.07693	459.07776	0.20396593	459.07703	4424	0	4434	9046	18828	9876	0	3122	23598	0	0	3780	35472	2916	3164	2970	0	16592	19032	0	4326	0	9146	0	0	0	0	0	0	0	942	0	0	0	5090	0	0	2472	0	1789	0	8142	0	0	0	0	0	0	0	2088	7136	6072	7100	0	21964	24268	11561	3686	0	0	0	0	54010	21142	5474	35992	6588	0	0	1489	0	0	0	0	3492	924	0	0	2260	0	3758	2050	0	0	23500	4610	4230	8346	5964	0	0	0	0	13994	0	0	5424	0	18672	40506	27258	0	5158	0	0	3048	19410	0	0	59614	Phytochemical	0.7777778	1.0	0.0
18	C22 H18 O11	459.0922	459.09277	0.023182545	459.0922	74443	65334	61188	52247	95568	53256	18272	16042	97017	166186	79834	12625	155603	45578	23086	24447	8009	112890	115095	101965	117317	133149	39898	17450	16454	43187	14076	45464	8498	6573	14211	11987	22180	11912	207077	9028	26461	24841	13858	73008	59573	24545	3508	0	464	96515	113752	890	13892	10226	60691	57194	57347	0	104428	79054	41533	22370	21377	13890	22677	58993	175926	89276	36036	118402	39998	11545	51221	55460	74081	9476	4711	2897	7917	9242	0	14755	64464	84267	43429	97235	12489	38260	101024	59447	49805	30666	33484	22518	34544	44671	18829	129846	159728	482	60508	55330	93198	99288	95584	21603	17119	22327	74844	22328	69686	0	17491	135405	Phytochemical	0.5	0.8181818	0.0
24	C22 H18 O11	459.0922	459.09274	0.06432248	459.09222	12054	14491	14523	15707	27074	13210	4682	1604	30468	34232	7639	3740	49005	14320	5740	2607	2565	33882	32668	18907	17827	26547	8787	5455	6105	8951	2799	5280	0	1217	1890	982	4671	0	37850	0	3055	5886	1144	11496	12582	3340	0	0	0	14051	22468	0	979	0	14068	14335	15831	0	35972	26044	9504	3128	4149	3422	2588	7452	47831	29570	9650	34254	8048	1613	10710	16535	16111	2390	0	0	1758	0	0	2079	18743	18049	16603	18142	3834	5573	37262	18007	11577	3075	5008	2582	6523	5567	5259	32209	45284	0	11624	12338	17523	32664	28599	2192	3621	4102	14555	3792	20188	0	3714	49774	Phytochemical	0.5	0.8181818	0.0
14	C22 H18 O11	459.0922	459.09286	0.032541815	459.0922	46468	46554	43600	39905	61192	32932	13093	11061	65023	129653	89477	11891	87777	23463	14682	12376	10858	61693	57487	79747	91114	119907	27029	20469	7320	31365	13865	41724	5458	5348	11777	12513	21757	5933	162306	5280	17506	16102	10187	42773	79693	18006	0	0	0	63989	122388	0	10858	8629	43076	42903	37244	0	63117	52983	21108	19083	22420	12270	0	44988	99095	58619	25559	78989	26478	8897	56699	56992	73179	8806	6045	3424	6054	6818	0	12653	40064	66269	31313	68889	12308	25891	67073	34793	33373	22849	26340	26161	16960	20567	18517	122715	95571	0	44340	36435	62363	64652	68654	18336	11304	21039	69156	14852	49376	0	10405	81082	Phytochemical	0.5	0.8181818	0.0
16	C22 H18 O11	459.0922	459.09283	0.027033102	459.0922	57524	63006	55542	65492	92499	51028	11778	17566	102006	174601	94169	14912	136239	36129	28155	22908	5814	108755	105663	95036	115596	147418	32994	24799	18019	50188	17357	48657	7263	7361	12138	20365	24163	9343	216023	11112	29465	26083	15314	63837	73514	26032	1452	0	0	86647	132579	762	14722	11044	73593	63140	58924	0	98938	73068	37712	20977	25900	19108	19768	60638	161547	79171	35211	96089	48646	11508	63530	66413	81334	13396	11988	5180	8815	11789	488	15874	53173	101694	36489	97116	14612	42422	95673	46548	47665	28659	35440	0	30486	40774	0	155176	158502	0	64012	64644	87323	90844	89925	20340	14252	22346	87731	15649	76159	506	19717	143603	Phytochemical	0.5	0.8181818	0.0
22	C22 H18 O11	459.0922	459.0928	0.052805904	459.09222	30421	23044	25342	24624	41491	25612	5402	2929	49113	60628	20057	4433	71916	20441	10127	4160	1849	54088	43171	35222	31964	55503	14614	4844	10111	12785	5046	12360	3001	1613	3009	0	5719	2299	57119	3029	8007	10117	3107	22172	18167	7623	0	0	365	40915	39239	0	4614	3529	24718	30162	27171	576	50828	44848	16666	8471	6690	3758	7201	19391	81595	46817	18363	45961	12641	2712	21270	30433	24312	2667	1187	1079	1258	2765	693	6256	29903	27821	22773	34141	3480	15399	56716	32060	17875	10138	15539	7531	4745	14389	9585	56979	68775	0	22712	23561	35338	48394	45033	5267	5375	8628	28807	5637	35507	0	9814	79537	Phytochemical	0.5	0.8181818	0.0
20	C22 H18 O11	459.0922	459.09274	-0.016670087	459.0922	42954	51584	49807	34066	73820	41995	11985	6841	81043	119438	42839	11756	121625	41087	16643	12605	4661	92832	80549	64057	78541	87671	24639	12695	10581	33002	10456	25723	6102	4627	8002	4710	21196	5569	134941	3746	19558	17242	7105	45456	35307	16508	3141	0	632	59551	78664	1351	9192	5709	46416	45229	47911	0	77345	71485	27584	18522	16224	8212	10450	36003	126868	70349	28087	81264	27995	7153	36800	46249	49031	4694	3458	2633	6012	5446	473	12049	42973	61727	31285	62850	9742	32197	89148	44448	33849	19608	28510	11385	21778	29487	20008	94651	97547	0	44629	39795	60957	80576	85110	12258	6641	10236	59767	7997	55673	679	11114	123743	Phytochemical	0.5	0.8181818	0.0
26	C22 H18 O11	459.0922	459.09268	-0.009937037	459.0922	7536	9297	8809	7370	17651	11675	2518	0	19200	22716	5529	0	34032	10506	0	0	0	33326	25081	14191	10603	22159	5818	0	0	7097	0	2908	0	0	0	0	3148	0	24794	0	4279	3861	0	5891	6490	0	0	0	0	7709	15303	0	2289	0	9640	7959	12257	0	32612	19289	6773	0	0	0	0	5651	39754	18983	5373	24595	3588	0	9303	12466	10381	0	0	0	0	0	0	2938	10375	12124	11465	6359	0	3606	22244	12327	8831	5795	5312	2041	3114	4141	0	18284	32117	0	11797	11157	10233	17532	21837	0	0	0	7024	2880	17004	0	3905	35509	Phytochemical	0.5	0.8181818	0.0
28	C22 H18 O11	459.0922	459.0927	0.018587053	459.0922	6549	6046	5525	8927	13671	8451	2089	0	14060	18052	5020	1668	35046	7487	5207	3022	0	21349	21611	8297	10484	16834	6656	2256	2405	3986	2305	2948	0	0	988	1409	2880	0	20126	0	3313	3544	1165	5780	5113	2732	0	0	0	7199	9027	0	1231	0	8002	6433	7475	0	20130	13652	5051	2372	2126	0	2472	3571	28528	13804	4855	18460	6331	1546	4952	10017	10322	0	1111	0	0	1235	0	2790	10338	9135	9545	6556	2098	3609	23221	12007	8243	3227	4793	1635	2543	5304	3081	13112	21199	0	7360	7235	9414	11835	18331	2477	1662	0	5937	2444	10469	0	3051	24786	Phytochemical	0.5	0.8181818	0.0
10	C21 H18 O10 N2	459.10342	459.10416	0.10835281	459.1035	8827	8750	7080	7056	8074	4995	2047	0	9769	26065	15539	2926	15886	3650	1310	4324	6360	8662	11123	17155	20931	20480	3966	4492	1367	2516	1915	5708	1472	1772	1663	1473	4127	974	34037	2706	3721	1944	7102	15927	28952	2588	0	0	0	17176	33588	0	2508	1660	9090	8529	5926	0	12386	11090	4218	4170	0	3355	0	11545	23643	16037	3550	14682	3402	6535	16380	6521	20117	1695	1299	0	5179	1792	0	2262	4657	12932	4673	12385	1627	4740	10032	3664	4074	4987	3522	10552	0	4869	5651	25090	21964	0	8111	9645	7611	14206	12055	5079	1648	0	0	3198	8068	0	2203	20762	Phytochemical	0.47619048	0.85714287	0.0952381
22	C21 H18 O10 N2	459.10342	459.1039	-0.13394327	459.10336	5121	4357	4919	4903	7524	4787	2158	3109	4134	8629	2196	3075	7382	0	2993	2710	4170	5351	4061	3163	4842	11563	4516	2979	2074	0	0	0	1536	1882	3344	0	8574	0	12257	1464	3973	1852	2636	8076	9335	2764	0	0	0	8826	13439	0	3121	0	2096	2650	3659	279	9025	4059	2738	2961	0	2232	2195	7761	10074	6348	1769	4936	3362	0	1424	2863	3594	2125	0	0	1709	1984	0	3561	4487	11420	3313	10105	0	1999	4162	3890	2541	3473	4708	3668	2595	3834	5550	19635	20854	0	4176	3376	4156	5971	4713	5207	3345	1128	9685	1401	3187	0	3968	9964	Phytochemical	0.47619048	0.85714287	0.0952381
20	C21 H18 O10 N2	459.10342	459.104	0.09856022	459.10345	5271	8138	7072	7949	8225	7407	1979	0	7276	12297	5907	3156	16699	4199	2257	3584	1833	9813	5290	9490	17656	25901	4150	3330	2180	2004	3988	4210	2036	0	1722	2235	4312	0	16802	0	3779	3531	2584	12111	12981	3703	0	0	0	13919	25533	0	2942	1420	7764	5467	7702	0	12152	8390	2499	3097	2704	1561	1493	13290	15789	8864	2861	7123	5754	4044	4222	6419	6192	1930	1272	1930	1607	0	0	2302	3800	15231	4692	16601	2114	9007	4901	6386	5198	3089	5480	7834	6068	3527	5168	27254	25243	0	6896	5045	7396	7231	7928	2746	1955	3145	11432	2284	4806	0	3943	15985	Phytochemical	0.47619048	0.85714287	0.0952381
8	C21 H18 O10 N2	459.10342	459.10422	0.11908499	459.1035	12051	10947	8190	7812	14664	4809	0	0	24270	32787	24267	2067	24654	3099	2958	7044	0	15678	14115	17334	21897	27327	0	2859	0	3072	3300	0	0	0	0	0	0	0	53733	0	3933	2967	6594	16803	30060	6003	0	0	0	17277	50424	0	0	0	7677	9177	10680	0	18990	16101	4617	0	0	4878	0	18213	45777	20469	0	13158	6129	4725	21984	13923	25683	3366	0	2004	2197	0	0	4170	8970	15468	4746	15681	1821	4920	22599	0	3135	7080	5926	7758	0	0	5943	42267	30528	0	12294	9108	13290	24504	16290	4536	2415	0	0	0	10188	0	4791	33843	Phytochemical	0.47619048	0.85714287	0.0952381
10	C19 H22 O13	459.1133	459.11407	0.20908505	459.1134	25670	37788	35940	30992	33320	26256	11308	13718	61954	34504	26998	22894	90994	19642	18142	19192	20312	55402	46314	33790	49712	59384	30700	20078	3228	0	14272	8524	10666	15734	12488	12391	21903	10796	38966	9640	23090	19622	18634	18138	29372	27858	0	0	0	29130	53352	0	14596	14108	30696	33468	29738	0	65787	49766	22184	13670	13170	16906	0	18404	93926	58430	24094	52644	26616	25794	0	6242	1472	21112	12686	13400	13000	11918	0	15784	33008	23526	23964	20632	7872	7956	51274	27304	31160	20772	25230	21129	9460	11872	29800	54074	40030	0	31524	41132	41462	61372	54370	33548	17960	25106	45450	19750	37380	0	7174	87902	Phytochemical	0.68421054	1.1578947	0.0
24	C23 H22 O10	459.12857	459.1291	-0.013455605	459.12857	32555	26712	25071	28658	40715	24999	2995	8572	44952	95560	32500	7026	69393	21234	15428	10669	2951	48028	37110	52088	57372	44753	18142	11233	7893	43081	4537	25019	6009	4840	6778	4541	9344	6120	99947	5343	11912	11554	6160	32872	27780	5760	2361	0	0	41352	47557	0	8908	5253	28229	26719	27579	0	58793	43305	19172	10782	7130	6027	11176	28028	77855	42901	12297	52859	17178	5833	48201	76079	70861	5068	4795	3687	3670	5936	0	6924	31718	30682	22228	35399	5827	28303	58224	25727	22275	13000	14389	8914	8632	16252	10709	41310	68824	0	25142	29955	32463	44942	45281	8694	5749	9221	32181	11401	41733	0	9520	76292	Phytochemical	0.4347826	0.95652175	0.0
8	C23 H22 O10	459.12857	459.12933	0.023298874	459.12857	6446	5003	3402	7291	2933	2526	3883	3546	3767	12673	6233	5233	3816	2088	3096	4771	3855	3148	4891	10892	13108	9605	4352	5656	2081	8910	2405	4965	3209	4485	3583	4094	3141	4117	17426	3464	3836	4486	4289	8763	11067	2776	0	0	0	10206	8734	0	3320	3760	5953	8522	4364	0	5771	4049	3213	3551	2777	4742	0	3510	5675	5340	2002	3039	2257	6788	8019	9805	21674	2855	4946	2782	2822	4111	0	2906	6338	5612	4972	6354	4853	5391	5615	0	5228	1462	2690	8580	0	0	5182	10839	6559	0	7372	5788	4542	6102	3420	4043	3899	2575	8050	3913	3838	0	3110	2991	Phytochemical	0.4347826	0.95652175	0.0
28	C23 H22 O10	459.12857	459.12912	-0.002606236	459.12857	9216	10277	9857	7582	17350	7394	2800	0	16036	25946	8582	2138	29643	8796	5422	5010	0	19534	19249	13239	17630	16215	7165	3785	4059	13322	1944	7638	0	3000	1684	0	2894	2131	28767	2028	4641	3572	2023	8874	8269	2544	1267	0	0	9136	12451	0	3875	0	10903	8164	9570	0	16934	11748	5732	3157	3538	1869	3746	7459	25133	14177	4293	18996	6832	1372	15692	28991	25760	1383	1130	0	2301	2554	0	2128	10153	13031	8152	6991	3038	7354	22107	8325	8777	4401	4874	2604	4134	7338	4366	12434	21388	0	10959	9154	11404	14620	14618	4308	2604	2369	7430	3110	10803	0	2674	25202	Phytochemical	0.4347826	0.95652175	0.0
10	C23 H22 O10	459.12857	459.1293	0.051973443	459.1286	19381	22072	15430	17629	12240	7656	10422	11168	16324	52747	31050	9727	14647	7932	9809	15918	10380	12410	19907	39016	36772	25993	13627	12731	7392	35974	10091	14457	11823	8647	10575	12259	15584	10760	53471	12181	11152	11386	15380	25423	30475	8587	0	0	0	29517	31188	0	15625	12677	18957	24689	8808	0	17385	13553	9441	14462	14619	15247	13495	16960	18434	15157	8446	11010	8140	13084	38858	41347	49447	12286	11464	10035	11529	12048	0	10679	18375	19632	17070	22116	12254	16549	17024	11512	15806	10625	9975	17820	11701	9558	12458	25751	31289	0	19456	14678	17644	15663	14701	13194	9976	16246	17996	11485	13424	0	10851	15612	Phytochemical	0.4347826	0.95652175	0.0
22	C23 H22 O10	459.12857	459.12915	-0.014519899	459.12857	61665	61061	60688	59567	81335	58087	12752	20306	106139	191364	78820	14273	109110	59505	29532	23808	10391	97418	85206	115735	118460	106316	36158	26912	26311	114770	11571	59455	16551	12980	16997	14318	31066	17671	199728	15340	29027	27539	14604	83840	60193	20997	2701	0	523	104003	98061	0	17144	19209	56778	60494	52539	758	93752	80014	36954	27453	23889	14562	22087	67073	139881	79951	32280	96769	40465	13746	88479	162331	139649	19184	14288	7805	9837	15493	616	17649	60794	55218	43397	75623	16556	61074	101791	52582	46079	27346	35765	15093	35063	44599	30330	87572	122580	0	54256	58614	71314	92094	75599	22540	16219	25229	80251	20228	69504	0	25633	133513	Phytochemical	0.4347826	0.95652175	0.0
26	C23 H22 O10	459.12857	459.1291	0.005740315	459.12857	15549	11562	14751	16781	21829	10923	4041	0	29845	45818	14491	4112	47241	11566	0	6517	0	32592	25764	30901	35436	25103	11578	6591	0	24199	2528	12730	0	0	3350	0	5033	0	51339	0	5280	6297	2454	20486	14439	0	0	0	0	17882	21600	0	4404	0	18140	19111	16011	0	33893	24124	8924	4965	3388	4063	7359	9619	42070	24782	4960	26886	11298	3489	23714	47096	42067	3617	0	0	0	3117	0	2933	16904	18945	15191	12381	2895	8223	30119	14570	13566	3880	7457	2370	8387	7871	7662	21712	46143	0	18090	17220	18989	32145	26600	6279	3101	5950	11935	4333	16692	0	4588	41323	Phytochemical	0.4347826	0.95652175	0.0
14	C23 H22 O10	459.12857	459.12924	0.05550846	459.1286	95821	98300	101525	87823	78640	50655	50465	51928	88963	318914	171178	40834	110270	51356	54393	61200	44718	86248	93907	212965	191044	160811	64036	64043	40494	160354	48510	113272	38181	48761	47314	64456	59215	45367	347093	41664	50296	48099	45911	137559	167527	43180	0	0	0	166747	225769	0	57006	48552	97484	102452	56789	347	85358	69338	43448	81914	73530	58394	59538	103826	116781	82605	38969	91122	54744	54484	183553	229171	229833	48439	44904	45896	39348	52069	0	45712	90532	108652	72459	139262	44137	104600	80442	53063	72369	41155	47464	63558	61309	70480	68468	148518	159385	762	98852	92490	78561	83014	73991	53616	40692	75525	184796	54775	66486	0	50306	105614	Phytochemical	0.4347826	0.95652175	0.0
18	C23 H22 O10	459.12857	459.12918	0.030164815	459.1286	163135	172934	140418	159182	161448	107738	56281	69557	182312	531466	251366	47697	248971	95021	79038	84232	41108	195268	219466	360493	341166	255096	88315	74163	64592	281449	54492	173911	61076	55045	61739	69056	93740	63199	620100	55574	89282	66894	53325	235613	179072	67642	4517	776	589	264451	238870	501	70940	56689	157304	160775	119755	793	193239	141753	76875	79860	70518	47642	75891	164347	262058	146042	77421	201229	95667	47264	232699	393469	351140	66885	51803	43142	34742	62352	620	56796	123033	154773	111282	231761	59455	163483	182274	106806	98294	76328	85805	55638	107491	131714	103489	210339	281615	1120	166758	142441	177392	151763	141866	69836	51704	80012	165645	61220	140144	861	66646	239148	Phytochemical	0.4347826	0.95652175	0.0
20	C23 H22 O10	459.12857	459.12915	-5.02E-5	459.12857	120316	128245	119053	113827	143151	102134	32284	43757	175886	401037	168104	33342	229079	90312	50605	52453	22451	188826	169696	250985	248523	198394	65244	59833	49212	218266	34227	124581	36654	26783	44089	35266	60016	40763	443044	32025	68297	49215	27848	187314	108541	51734	3982	0	821	197415	183658	1207	45816	42351	116103	120156	97520	826	153199	122286	62283	61903	55798	25172	47418	112864	231072	136041	57923	153091	78715	32626	169849	301683	269108	39153	29588	27390	20658	33314	760	41383	95236	116806	68557	153944	38887	144121	165722	76502	78706	49421	62162	41749	80311	89263	77249	153580	185854	1716	117636	114122	151235	130367	127996	54335	35913	55154	152908	42715	117859	1036	45807	219910	Phytochemical	0.4347826	0.95652175	0.0
22	C22 H22 O9 N2	459.1398	459.14047	0.088436835	459.13986	5253	7586	4486	6241	6050	5890	2316	3165	5642	19975	8372	3250	9540	0	3219	6063	2633	3647	4793	6802	9871	13298	3513	6514	3097	6417	3089	7118	1986	1543	4632	0	6673	0	16534	1456	4862	3438	2251	12471	9770	3103	0	0	0	13096	16419	0	2913	2131	7025	11480	3284	300	6960	2178	3246	5572	4719	3495	2911	12386	7924	7999	0	5660	4222	4612	4300	6689	7379	0	1939	0	1796	0	0	0	5171	13880	7577	9281	5147	8716	4188	4761	7415	5582	3110	9054	10591	9515	6504	16676	22031	0	6893	9977	4772	6908	7060	5012	3514	2924	11313	7468	3691	0	4647	10645	Phytochemical	0.4090909	1.0	0.09090909
8	C22 H22 O9 N2	459.1398	459.14056	0.04539319	459.13983	18422	19440	20885	15898	14899	7387	7003	9513	17654	54970	37213	7033	24559	7243	7339	11761	9495	12858	19161	47622	52952	38747	9932	14730	4758	15720	5752	16712	7727	7511	8776	7803	10361	6962	74080	6668	9903	8108	11485	41380	55228	6704	0	0	0	37633	49052	0	10709	7860	19476	14677	9465	0	20863	13057	6996	13134	5860	11915	7684	28875	25221	17707	5470	19754	8399	12047	25687	33350	60981	10461	5370	5721	7577	7390	0	7041	14693	18320	8153	22264	6409	17376	16601	7017	13438	9295	8576	18549	12968	17818	18949	33639	41729	0	16216	17479	16002	19616	12792	11986	6014	11719	15156	11346	12002	0	9629	21513	Phytochemical	0.4090909	1.0	0.09090909
6	C22 H22 O9 N2	459.1398	459.14062	0.029734595	459.13983	8177	7017	7910	7147	6894	2849	2496	4115	7681	22412	16194	3244	11491	2012	1775	3831	4113	6272	5266	13196	26215	12115	4493	5323	1608	5693	2165	5654	4340	2969	3070	2636	4146	2835	28782	2983	4155	3138	5518	9773	20418	3154	0	0	0	11279	24610	0	1905	2203	7050	6809	4566	0	9789	6709	2445	5482	1729	3888	4787	9050	12813	7454	2774	7623	3761	7029	11646	12352	23009	3391	1886	1432	0	1711	0	2265	5718	7815	3354	7120	3206	5097	9448	4559	4746	4385	2199	7035	0	6567	8473	17261	19034	0	6853	7001	5271	8811	7567	6238	3009	4336	9454	4404	7142	0	3233	12550	Phytochemical	0.4090909	1.0	0.09090909
20	C22 H22 O9 N2	459.1398	459.1404	0.06585723	459.13983	16374	20797	14706	17866	13886	10040	8270	10469	14543	41315	24458	6937	19899	8653	8917	14614	7370	15587	20018	29196	26029	42201	12487	12966	9357	16197	6072	18130	10645	6813	7899	8583	12496	6934	49177	3088	11813	9027	7495	42971	33037	10360	922	0	0	30088	35239	0	6212	5999	18045	15746	13717	241	17660	12724	9527	10777	7900	7128	7937	24605	21558	18256	6345	19655	10001	7446	13384	26417	19859	3970	4801	0	6325	5994	0	6329	19131	33745	12423	16051	11065	19437	18177	8772	10707	7222	8862	17130	19420	20642	24123	37992	31121	0	18685	13456	7627	16518	13042	9266	4665	10828	20461	12023	10126	0	13441	22994	Phytochemical	0.4090909	1.0	0.09090909
12	C19 H26 O11 N2	459.16095	459.16165	0.082143955	459.16098	57735	60546	59250	62256	31650	39933	44241	108726	46494	43863	31089	51552	61983	21600	75153	59637	44949	73962	85773	64500	66317	99783	73527	82284	37038	5873	26844	0	82791	62964	97440	75066	106716	53265	67524	73635	103800	75135	37872	58785	36783	47259	1302	0	0	71313	46197	0	69447	72573	68958	48300	38184	0	132069	36606	28728	78234	88488	41031	63582	37740	79119	62697	30495	60054	45156	51450	0	16650	26216	72141	59913	65307	33294	60774	0	65184	48141	0	45465	33852	36000	33381	40443	31725	57555	40992	46476	56529	41166	86865	143235	29199	29986	0	72534	75213	35142	26040	31038	95778	55074	52638	0	84465	21390	0	38958	97674	Lipid	0.57894737	1.3684211	0.10526316
14	C19 H26 O11 N2	459.16095	459.16162	0.15931332	459.161	35014	28522	37342	32996	19274	32698	29734	45848	34098	24302	14407	18544	44426	14708	55368	33636	23754	45372	38814	42931	21080	57642	46946	55092	36152	22094	18724	0	36372	38242	38164	40060	56080	29120	44056	41970	47718	29324	28858	26238	18064	26818	0	0	0	26926	30696	0	31572	31942	24070	32122	19118	0	54258	17300	16620	37966	77666	13370	64362	26168	38204	33792	20560	31304	27960	27286	0	13802	10874	29198	30990	34862	21166	24720	0	35822	29192	0	24502	19700	20206	18056	22206	13948	18696	21576	31346	26490	27143	43254	67898	23188	13210	0	30436	37902	14706	12126	15362	50856	29696	33502	0	34750	18444	0	27506	30204	Lipid	0.57894737	1.3684211	0.10526316
10	C19 H26 O11 N2	459.16095	459.16162	0.010216238	459.16095	41188	44900	40392	36476	18414	26192	23572	47454	38030	28930	19328	35852	45374	8986	44034	44042	34560	51590	50943	37146	40442	60648	42674	41770	26254	3729	23938	7938	52444	45430	37788	49204	60026	39030	42732	44672	57830	39288	35654	40482	22630	26150	0	0	0	30934	26938	0	45290	43916	43860	40510	28374	0	58792	21868	21442	47052	51990	27328	44478	27776	53914	39970	21014	37990	33254	35172	0	5579	13270	44746	40482	46996	29778	32394	0	31250	35664	16166	31308	20074	23942	9364	31038	18592	32646	30406	32386	52940	40596	45898	87310	32824	30186	0	51834	48824	14926	17922	14606	71960	35668	43274	33766	49754	17992	0	30384	57052	Lipid	0.57894737	1.3684211	0.10526316
26	C24 H26 O9	459.16495	459.16553	-0.03927265	459.16495	31582	35511	35714	27812	43819	23611	6326	16093	50621	85066	32592	12026	70752	26636	18200	21755	7977	56667	52660	75218	76477	42399	20615	19429	11014	74779	9416	30176	8906	10991	12491	11013	17391	12588	84703	10248	21442	15260	9874	41256	40891	16499	0	0	0	35225	36077	0	13139	14465	34418	34799	31095	0	44614	39669	17150	16999	14427	9405	24250	30012	69064	33456	15547	46538	18989	10421	84751	117340	123373	14498	10785	10357	8318	8008	0	13764	34605	27817	27314	20809	11922	30144	88405	21347	24589	16382	17922	14488	17446	20870	23861	29760	44525	0	32289	39903	31492	50325	53541	14548	8119	18742	23286	15689	33409	0	13083	64714	Phytochemical	0.375	1.0833334	0.0
28	C24 H26 O9	459.16495	459.16553	-0.039773367	459.16495	15890	15352	16454	12305	19842	9035	4780	7301	17712	42387	17696	4496	39073	14109	8772	9831	5421	23474	24293	31260	35060	17613	12053	9278	6601	33666	5392	15682	7819	5175	6138	6072	8973	5759	45294	5528	11548	6758	4878	13941	20447	6271	0	0	0	14065	18694	0	8468	6815	15639	15207	15592	0	25819	21145	7611	9824	5217	4597	11373	13083	29475	19461	8618	25728	9439	5656	38002	59456	58719	6407	5066	4496	4636	4491	0	5460	18811	15361	13734	10958	5982	15371	36552	13323	15574	7239	6924	6250	9866	12954	10618	16112	25787	0	15732	13867	15177	24184	27724	8130	5841	9690	9944	8641	16436	0	6807	26621	Phytochemical	0.375	1.0833334	0.0
24	C24 H26 O9	459.16495	459.16547	-0.025072426	459.16495	79361	80741	71432	73519	104558	62918	19188	37441	103620	198085	90085	25342	160391	59376	39896	43790	26155	103545	96246	157798	169769	85607	51278	51351	35003	161672	23538	87659	33696	27409	29811	38456	44738	33494	216970	31986	48774	34125	33688	112960	85374	34303	3411	0	0	103489	81436	0	32516	28488	79206	71843	69689	0	101765	97179	34533	45422	35771	23595	43413	74753	145361	86506	37418	113332	46812	28956	144069	259578	243499	47810	33355	24859	25763	28122	0	31146	71083	37969	59959	62866	30501	66414	113930	57281	65040	38688	41432	30329	50637	61937	69280	66669	97593	1923	73796	72575	73635	99048	97680	33364	22158	42619	67749	46767	73633	0	31508	134886	Phytochemical	0.375	1.0833334	0.0
10	C24 H26 O9	459.16495	459.16565	-0.006435698	459.16495	19456	18381	21200	16286	10144	8880	14391	20406	11558	52644	19163	15802	9031	8264	12645	21575	16191	10559	13835	32186	29595	21483	12802	18833	10434	27152	15270	13845	14500	19659	14867	20009	17502	13863	31227	18162	15752	17205	21802	19504	28225	7546	0	0	0	26578	24618	0	21375	18242	23194	19791	9006	0	16103	9517	7815	26152	19848	20188	20625	17100	10913	9335	7742	10920	9907	22083	19481	32855	40964	18751	16535	18157	18589	17585	0	10954	19928	9918	17126	14992	16495	16008	11458	8644	18605	6577	8375	19991	11240	13442	20431	15100	19400	0	18729	20121	12567	13420	10245	17836	13238	22833	0	15155	9709	0	13700	11118	Phytochemical	0.375	1.0833334	0.0
20	C24 H26 O9	459.16495	459.16553	0.034501042	459.16498	339815	331160	337206	290984	331431	245513	140445	206300	355618	886720	450162	127626	443904	210892	204779	204628	112902	368734	399623	820550	746592	374828	227330	233282	175471	808536	120583	375750	197690	161483	188493	175744	223069	173613	1024364	162354	248719	162663	136769	532545	368975	161102	9690	1965	978	418015	365419	2215	197305	173105	319079	348542	240048	1783	345468	286558	159619	216032	199396	119790	205952	333488	429380	288322	141429	331728	198328	138049	613867	1106669	968160	202196	182813	159992	117808	179870	1814	160703	277800	212341	227796	264027	162263	385838	329042	177387	246058	154550	176170	168733	247222	299151	269705	246646	348729	2075	328509	312767	300939	289454	271767	202990	145803	229900	262194	192590	253583	1807	165054	469695	Phytochemical	0.375	1.0833334	0.0
12	C24 H26 O9	459.16495	459.16565	0.009044217	459.16498	68609	66428	61548	62196	30789	22683	51129	59956	32123	100212	73601	44086	32657	19194	38963	64659	55832	33453	47032	226360	180790	78623	39523	72778	30714	185832	47430	63754	47428	53422	47438	51270	53216	41953	200502	51484	42891	45588	56789	132794	114928	23042	952	0	0	80197	83267	0	57598	55800	69068	63625	26247	0	37269	28978	27810	64677	53266	66039	61373	52715	45984	29085	19378	38930	24878	73273	122935	114650	267812	54074	49448	56293	47892	57219	337	35742	53222	45212	51001	48568	41593	55048	44497	21891	56274	26823	24304	74266	50949	52089	53054	47746	56024	670	70640	80727	38367	39231	31689	58803	42021	68651	44876	43222	31531	0	48112	37755	Phytochemical	0.375	1.0833334	0.0
6	C23 H26 O8 N2	459.17618	459.17697	-0.017656121	459.17618	12444	12139	12401	9528	7340	6213	6211	12026	8798	31253	15970	6104	12998	4030	7831	14210	7725	9777	11338	29849	37775	22378	8185	13859	4974	14433	5686	12096	9016	8799	9227	11449	13042	7520	37858	10607	9134	6990	10880	20933	23983	5972	0	0	0	16214	19532	0	10981	8805	13420	12435	8494	0	11722	7591	5171	9844	5710	8472	14998	13070	12318	8993	3666	10676	8181	9532	13990	25288	27884	7322	9268	7875	5259	5770	0	5713	8961	14115	8520	8757	6259	11533	6742	4560	10268	7070	5752	15892	10082	15128	18655	17888	23203	0	10777	11722	6611	8463	6198	9967	4400	15443	8282	11276	5670	0	7860	10981	Phytochemical	0.3478261	1.1304348	0.08695652
8	C23 H26 O8 N2	459.17618	459.17694	-0.041458596	459.17618	29409	31572	24464	27182	15499	14291	12167	19273	17554	65985	28550	12307	21252	9088	15334	26374	18448	15333	23280	66245	63632	48161	14695	23889	13037	28445	11142	25652	17583	16928	17982	18211	23457	17826	77871	15613	22960	11653	24196	54829	57859	13740	0	0	0	45510	45080	0	25070	16125	26132	31052	13242	0	18938	14548	9244	22556	11632	16210	20709	36172	21833	19063	6876	19709	13643	21169	33125	58395	54532	18145	14330	14184	12879	18596	0	13365	21321	29387	14492	19121	12208	32120	14795	7231	20708	12990	13961	33768	20460	32696	36984	38657	56258	0	29597	27160	14353	16875	14920	20046	10663	33698	18214	20636	10389	0	17338	21939	Phytochemical	0.3478261	1.1304348	0.08695652
10	C23 H26 O8 N2	459.17618	459.17688	-0.046749827	459.17618	46039	49874	46984	38269	25422	20558	26312	36872	23669	99787	54027	22640	37642	18866	22115	35179	27089	25471	36232	104250	98336	75929	27281	45990	23944	51529	19334	50013	30022	25784	32903	38043	39489	28059	108903	28421	36785	20119	33856	88679	72093	21680	0	0	0	64701	69083	0	36820	27838	48092	48585	23204	0	31592	18738	15143	35621	22551	28558	40715	51767	31086	27038	11646	31719	25716	33587	55835	93990	81224	29331	26067	26706	27410	27962	0	18362	31086	45242	23547	32579	24705	47720	19978	15102	34098	20894	20051	44763	39959	46836	61771	51519	78452	0	43689	44447	22985	39918	38051	43151	16936	52502	25832	33085	16668	0	25934	29768	Phytochemical	0.3478261	1.1304348	0.08695652
26	C28 H26 O6	459.1802	459.18054	-0.0383804	459.1802	0	0	2948	2312	0	0	0	0	2893	3973	6629	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25023	0	7387	0	0	0	0	0	0	0	0	0	0	0	0	7206	0	0	0	0	0	0	0	0	0	3055	2469	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2290	0	20740	10392	22002	0	0	0	0	0	0	0	0	0	0	4017	0	4443	0	0	2642	0	0	2292	0	1591	0	5691	0	0	2621	0	0	3530	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.21428572	0.9285714	0.0
24	C28 H26 O6	459.1802	459.18076	-0.02880603	459.1802	3701	7861	4168	7800	6112	2415	0	3537	3340	7380	15947	0	5904	2508	0	3757	3243	5706	5417	7002	8383	3748	2709	3036	2655	43921	0	13289	3502	2077	2231	2410	2610	0	7429	0	0	2540	3301	9584	12691	2386	0	0	0	5786	5508	0	1942	2591	4824	5998	3635	0	2405	4584	3876	2344	2814	2677	2631	9577	3059	2828	1632	3472	6978	2534	43611	23363	45492	0	2018	2352	0	2742	0	2199	5703	4165	4012	5598	3037	7545	7618	0	8355	3290	3501	3354	4299	3624	4498	8084	4200	0	5033	4584	3687	6603	6509	5140	2053	4211	3685	3513	5377	0	2307	1831	Phytochemical	0.21428572	0.9285714	0.0
16	C21 H30 O11	459.1861	459.1867	0.020842444	459.1861	48093	42707	42951	49811	22957	26781	38941	65130	39924	92253	23675	30533	43541	18000	59287	52963	24531	46430	44474	70590	50029	41830	53479	69248	55872	24084	27866	24363	65900	55194	67204	65629	68813	45778	99469	62506	62617	40595	23447	54475	46210	25294	775	0	0	48435	11743	0	60982	55207	40811	43371	33870	381	76601	29715	20171	52484	76925	13923	54553	38551	45095	39070	19729	30851	31693	21478	14176	28570	65759	63171	57713	65528	25949	51797	0	41975	38807	17675	33677	27011	39702	25434	24702	24678	31504	20170	30127	0	46345	62093	67249	24714	39175	0	40070	49896	24703	21647	21844	57222	33298	53349	26716	50228	27519	0	35602	55457	Lipid	0.52380955	1.4285715	0.0
12	C20 H30 O10 N2	459.19733	459.19785	3.01228E-4	459.19733	9482	10307	9278	10369	4308	4972	9451	15223	6682	7025	2988	7519	7863	2388	15308	9931	9899	9118	9243	10876	5624	9595	10852	16438	12337	3300	5831	0	18082	10424	11745	15380	19670	9970	12036	11859	12502	11644	11375	7563	0	5819	0	0	0	7789	0	0	12335	9773	10966	10979	6129	0	11639	6937	5218	13918	17200	0	0	0	8538	7279	4534	6343	8923	0	0	5201	4686	14958	12953	16356	8032	10939	0	8891	7627	0	5645	4216	11247	5162	3671	5643	7526	4789	6551	24013	48887	21376	19051	0	4163	0	11261	8547	3259	5821	5216	11463	6776	11546	0	8649	4770	0	13770	10383	Lipid	0.5	1.5	0.1
14	C25 H30 O8	459.20135	459.20197	-0.06539884	459.20132	108518	125631	109102	109913	60219	42264	98564	114570	67705	130412	98789	87369	56312	40775	74981	119959	114429	69245	71942	131646	132078	126248	89988	136605	80511	151012	82606	98313	80243	96121	88879	126306	99021	66656	139151	111197	89327	79010	127571	92409	127658	60099	0	505	419	94267	123106	728	111783	110416	111090	102590	57930	388	82666	57720	55529	122483	104842	114664	114261	72158	73765	69010	45117	64533	52817	121644	149571	165135	206738	79059	75939	107158	102952	106017	390	81856	127334	73173	110850	70458	90071	87642	83064	57024	132824	54187	68810	180638	97368	93281	129955	71423	82220	1342	120942	105420	59748	74572	79701	92801	77896	142384	63330	89139	60924	599	94981	67853	Phytochemical	0.32	1.2	0.0
26	C25 H30 O8	459.20135	459.20193	-0.030832797	459.20132	75995	67763	70681	70752	77803	52874	24102	56239	93596	134744	76645	35133	140522	55452	49732	63479	38486	96188	99695	162677	151440	65529	60339	64079	41070	174416	26580	76566	55531	39292	45246	46844	53717	43533	157219	49703	70052	37235	43186	102302	86996	34213	0	0	0	69014	70942	0	53001	47986	73406	71008	59540	0	97073	89226	41846	60626	39387	28467	68661	62427	106564	73864	27426	91302	50581	42601	189582	245338	261590	46252	40558	40846	33631	41223	0	37621	74389	43369	62134	48128	41680	70023	94596	46109	66053	39245	45887	45926	56022	58961	85598	47453	70627	0	63699	78206	58290	97933	100454	60863	35840	54885	43008	43179	75608	0	37966	102215	Phytochemical	0.32	1.2	0.0
28	C25 H30 O8	459.20135	459.20187	-0.08227037	459.2013	23647	22624	25177	20562	30259	17390	11654	20416	23717	45822	28753	9713	44261	21161	15443	21712	13002	29449	40846	47586	51190	24620	19868	24291	14047	67454	10775	26875	14525	14982	18017	12719	20579	17948	52078	16435	21526	11206	13632	29040	27183	11786	1500	0	0	22013	25508	0	18387	18533	24161	25618	21013	0	35659	26133	14392	20318	11734	9195	22515	15287	34341	22363	10391	39275	20072	13923	64153	89236	102335	15208	11937	13083	11065	14954	0	9870	28837	17504	19184	14659	11746	22505	36925	16472	27731	14789	14392	17880	18898	22779	29331	18065	23904	0	24254	27292	19203	32790	34196	19427	11584	19997	12695	17812	17662	0	11741	33851	Phytochemical	0.32	1.2	0.0
12	C25 H30 O8	459.20135	459.202	-0.04100278	459.20132	44013	45281	35522	39105	12626	12463	33621	45063	22255	36301	31063	25429	13161	7405	27126	51266	45927	17253	20692	47808	34228	51068	27425	49262	24763	36209	40729	22604	28022	35205	28530	41420	31993	18859	34637	33721	25463	28848	51972	26022	41622	14615	875	424	0	36871	61669	0	32526	43888	40395	37132	14925	351	19345	13407	15683	38777	26346	43419	39230	21098	21615	18200	12970	15451	17590	47737	33638	44531	58334	24176	28900	44686	42077	39037	234	27192	40973	0	35862	23893	27536	25524	24301	14077	37891	11008	17545	68250	28178	27482	33782	20035	26752	659	40407	42263	23384	17518	21562	42288	23897	46289	0	29173	18479	0	32752	13769	Phytochemical	0.32	1.2	0.0
24	C25 H30 O8	459.20135	459.20184	0.001579543	459.20135	238980	239982	213597	233913	244040	168910	86073	180721	245632	535169	290349	102311	349624	143816	155980	179283	107578	276484	320539	524894	509954	238045	174895	191339	139878	564888	86206	270570	163070	145486	144567	147255	182193	146382	628558	160139	233633	122021	114901	321328	252677	120467	9495	0	0	238375	165076	2301	155430	145991	226733	225362	175588	0	292437	224910	116951	201105	161875	82722	192922	213166	302869	217006	94774	274142	149769	111501	485735	868306	736506	168987	143409	131980	89138	137368	0	122663	228792	115350	186514	146249	113805	225150	249652	127633	189544	110803	152619	133927	199881	208918	255339	164043	215083	2257	231821	229254	174919	222240	220034	175160	98422	194367	148534	167868	165789	2673	130588	315358	Phytochemical	0.32	1.2	0.0
6	C19 H30 O9 N4	459.20856	459.20926	0.04280678	459.2086	9062	11593	8882	9258	928	2080	2674	4277	1432	4065	9972	2627	2064	1115	3142	7460	4326	2717	1724	0	0	4295	2604	2951	3250	0	2819	87367	1987	2229	4431	4002	5176	3757	2094	3571	4990	2990	6200	0	0	1709	0	0	0	0	0	0	5360	4067	7945	9140	1625	0	0	747	811	4947	0	890	5086	0	879	1875	1216	2075	1891	6553	0	0	0	4030	4292	3767	2312	3187	0	1633	3181	116156	2754	413	1415	0	0	1701	3006	2361	1959	6798	466557	161680	8895	27026	8968	0	9857	9329	640	0	698	6563	1814	0	0	4561	763	0	2944	1169	Peptide	0.47368422	1.5789474	0.21052632
8	C19 H30 O9 N4	459.20856	459.20923	0.17218879	459.20865	6752	5236	3182	4728	861	0	1893	2570	1054	2548	11548	1878	0	0	1954	2708	2244	1421	1253	0	0	2553	1250	4167	2177	0	1138	53212	3755	1807	2272	2379	3133	2204	2080	1482	2219	1917	0	0	0	1171	0	0	0	0	0	0	2789	1810	4984	6007	1262	0	0	1388	977	3834	0	0	0	0	0	0	0	1880	0	1372	0	0	0	1119	1838	1963	2269	1561	0	986	2500	59651	0	479	0	0	0	0	1650	1532	1788	4096	271931	97873	3516	18639	7500	0	6102	3621	0	0	0	2226	1145	0	0	1993	0	0	1984	1666	Peptide	0.47368422	1.5789474	0.21052632
2	C19 H30 O9 N4	459.20856	459.2094	-0.003859568	459.20856	7105	6593	5502	6915	3956	0	2524	7349	3803	808	9353	4100	3933	2934	3394	510	4353	4568	5804	509	1313	3411	3813	5135	1824	0	0	77145	6528	3314	6157	4759	9217	5998	1800	4324	7628	2436	5305	426	0	3913	0	0	0	910	497	0	5718	5638	5235	5108	4332	0	4698	1740	1465	6571	829	678	1105	0	2777	4284	0	3503	7390	4987	0	0	0	6382	3698	4156	0	3986	0	7499	2689	86278	2816	0	698	0	1899	1324	3212	3735	6126	4985	96775	45635	8774	18268	650	0	5624	7972	1864	1598	1671	4730	3869	1142	363	7271	2469	0	2219	6069	Peptide	0.47368422	1.5789474	0.21052632
4	C19 H30 O9 N4	459.20856	459.20944	0.075173385	459.2086	4203	4008	3761	3036	466	2558	1568	2049	947	0	5475	1571	1400	0	2882	3174	2361	2003	1515	0	0	1933	1657	3469	1116	0	1011	22450	2303	1457	2296	2323	1992	1509	826	1284	2575	1420	2562	0	0	860	0	0	0	0	0	0	2524	1358	3466	3680	782	0	1212	531	951	3523	931	0	2877	0	1123	1314	0	1844	1772	3040	0	0	0	2203	1802	1465	0	1555	0	1676	1059	64924	1370	0	605	0	857	667	1841	1477	1253	2800	170341	60835	4636	10565	3003	0	2919	5878	1569	1285	837	1783	984	1285	0	2027	786	0	815	1431	Peptide	0.47368422	1.5789474	0.21052632
10	C19 H30 O9 N4	459.20856	459.20932	0.3524227	459.2087	2500	0	0	0	0	0	1135	1871	0	1564	0	0	0	0	1298	2360	0	0	1271	0	0	0	1462	2338	2866	0	0	9793	2047	0	0	0	2663	0	0	0	1509	0	0	0	0	0	0	0	0	0	0	0	0	1131	0	1622	0	0	0	0	0	1722	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2448	1767	1574	0	0	0	1491	8635	0	0	0	0	0	0	1237	0	1069	2728	40013	22883	5814	0	0	0	2300	0	0	0	0	0	894	0	0	0	0	0	0	1605	Peptide	0.47368422	1.5789474	0.21052632
8	C24 H30 O7 N2	459.2126	459.2133	-0.035154108	459.21255	12772	15150	10380	15147	4776	6943	8413	17158	5478	25424	13315	8164	5931	4196	10632	17063	10451	6127	11754	32346	33672	22642	10292	19249	11736	14250	8812	12106	12619	10219	11411	16709	17007	13820	31101	12837	16085	8267	13205	25934	18048	10217	0	0	0	21997	11640	0	17688	12423	16419	13797	8663	0	8276	4235	4096	15349	2085	3508	13141	11605	4432	6776	2910	6519	7364	13293	11052	23198	18910	13834	12269	11424	12516	13202	0	7681	10864	10479	8820	5004	5918	19487	3288	0	12716	7353	7722	23262	22466	11368	30701	14096	26897	0	14260	14549	4001	4354	3772	17160	5598	17708	0	13657	3397	0	9519	4786	Phytochemical	0.29166666	1.25	0.083333336
10	C24 H30 O7 N2	459.2126	459.21326	-0.05297718	459.21255	20251	18521	19249	19319	7377	9746	11129	24591	10190	39997	17944	10809	6453	5585	13816	20509	15744	7058	13011	51122	46020	35288	13993	27068	14831	27392	13285	24145	17727	14554	15030	26191	23328	18895	42267	18072	24789	14022	19823	39379	26124	9964	0	0	0	24324	22521	0	19435	15436	22936	22372	11770	0	12574	6024	6211	23630	2909	7469	15670	17506	9448	9082	4468	9078	9691	21208	20769	42413	30986	16984	15747	16692	15595	17272	0	11815	16279	20724	11182	7918	6759	24071	5128	4985	16170	12720	9184	29988	24228	21819	32406	20298	37555	0	17400	21425	5943	3302	5602	23683	9718	22824	0	20200	5680	0	13802	7885	Phytochemical	0.29166666	1.25	0.083333336
12	C24 H30 O7 N2	459.2126	459.2133	-0.007737666	459.2126	17919	20675	24436	23267	11075	11911	17814	27214	9706	39387	24992	12155	9382	7683	18719	24267	21224	12891	16385	54843	45650	36839	17871	25913	21281	26271	10335	22406	26090	17886	24404	18942	31361	19161	58287	26008	23104	14555	24792	41657	32387	11869	0	0	0	27490	19779	0	24563	18804	21222	15363	12787	0	14089	6233	9788	25605	5428	8340	20040	21137	9037	8463	5637	9678	13856	28256	23178	49025	38882	19713	18145	21468	17968	17626	0	14086	19497	19579	16857	11448	9996	26280	5374	7221	21820	12412	14070	42148	33176	23375	38952	25441	29165	0	25681	21352	8255	7310	10627	25255	11955	24754	0	27075	7080	0	20043	11624	Phytochemical	0.29166666	1.25	0.083333336
26	C29 H30 O5	459.2166	459.21704	-0.044077225	459.21658	4128	4965	5007	5276	4234	0	2234	0	2881	3808	9645	0	0	2235	0	0	0	0	0	5249	5484	3406	0	4967	0	26476	0	9403	0	0	0	0	3932	0	3456	0	4310	0	3631	5652	11133	0	0	0	0	0	176830	0	3903	0	4779	3067	4475	0	4687	0	3147	2606	3081	0	6732	3945	2455	4162	2491	3696	4218	4371	27632	12647	20236	0	4458	0	0	3451	0	0	4428	5665	4980	2870	4237	8065	8008	0	5232	0	3887	5077	2104	2499	5257	3606	0	0	5295	7002	5140	10232	7559	0	0	0	0	2473	0	0	3895	0	Phytochemical	0.1724138	1.0344827	0.0
24	C29 H30 O5	459.2166	459.21713	-0.007081285	459.21658	5970	3861	7433	6121	6666	3523	4156	5303	4476	4300	11518	5241	3497	3543	5263	8306	8056	2999	3984	8721	6279	4543	5498	9296	6176	39494	3744	11249	6798	4270	3139	4637	6013	4737	8483	6098	7958	5438	7264	8624	9396	6498	0	0	0	7315	7872	0	5396	6087	5966	8880	6208	0	5140	5257	4496	7748	4708	6201	8231	5559	4741	4065	4182	5030	8498	7587	31769	22659	35451	5722	3203	4775	2678	4636	0	2887	6860	3833	6503	5311	4375	7045	5768	3637	11196	5885	6297	10620	4151	3962	8766	6309	3105	0	6953	6656	4167	7018	5920	6868	3528	9288	4080	4346	6513	0	8011	2882	Phytochemical	0.1724138	1.0344827	0.0
16	C26 H34 O7	459.23773	459.2383	-0.12169967	459.23767	77443	80435	78468	88001	55296	40577	82430	86371	56156	48162	58712	64432	49442	28606	65692	93821	117033	48434	73276	85470	74550	59719	70959	79994	61914	88696	81442	47755	66333	78918	73109	80412	84191	42857	78558	87789	67870	70465	136584	49736	63412	46592	1616	495	347	46104	66444	0	90056	78934	70362	71581	46851	417	72654	58820	50645	105358	47634	82086	89638	36039	68373	53995	38530	44521	43227	130374	76669	95358	113632	48993	51343	85959	102182	85200	0	58788	111937	52160	81670	50496	75124	47361	77342	49221	131913	40184	45001	161426	65623	71031	99057	51917	47500	801	90956	85909	48864	85550	89934	92321	51041	74035	36827	74299	64025	0	98574	60346	Phytochemical	0.26923078	1.3076923	0.0
26	C26 H34 O7	459.23773	459.2383	-0.003000085	459.23773	196627	195216	196519	179149	220383	119623	83233	202542	201813	304800	242481	91058	266890	143494	155400	184128	124549	223051	292453	442052	405750	188128	139319	200562	168461	499494	80239	239205	203839	180530	164033	172752	211655	141492	410210	205602	249590	123784	128548	262485	205011	124851	4518	0	0	182106	131193	0	182538	173804	199221	199004	161566	0	251894	230076	102334	198214	156203	85461	202169	165829	229858	173052	81753	201689	169146	122550	458546	641078	582618	155668	142156	156778	110623	150827	0	126252	191705	139193	137280	115423	139851	183005	225066	136877	184697	113646	129433	137435	180534	208891	252396	127401	189440	0	198509	222830	135553	223684	243325	231235	88807	202291	127849	148819	170111	0	126479	215227	Phytochemical	0.26923078	1.3076923	0.0
14	C26 H34 O7	459.23773	459.23834	-0.07771912	459.2377	26549	30253	27072	23806	14697	6913	28665	33750	14644	15621	18083	25893	8479	10389	21665	34345	43107	8846	16683	18107	18892	25547	23036	27180	16018	20839	33438	9565	24090	31660	25125	33582	21074	12427	18867	26724	20564	24649	51465	10112	21420	12134	0	0	0	15945	23304	0	27738	26266	32018	19249	11304	0	22075	14767	16048	30020	16337	32487	0	10316	15529	14394	12528	4561	13825	49662	0	20652	35253	11168	16082	30038	36904	28239	0	21315	35413	0	25676	17223	27320	10775	23122	14456	39054	10612	11570	65220	19837	16203	32424	11225	14927	0	29121	28633	14733	25049	22097	24137	19325	19308	0	22464	20366	0	29981	9140	Phytochemical	0.26923078	1.3076923	0.0
28	C26 H34 O7	459.23773	459.23825	-0.07182581	459.2377	39730	36226	35963	36302	40604	19915	21538	37441	33681	47639	36886	15860	50287	21831	21622	32338	27495	35045	52353	57121	62269	29549	25306	31751	25328	99784	22516	41890	38873	38704	36622	30853	45376	29977	61912	39789	40673	20684	27649	34868	39457	21042	2637	0	0	29511	24366	0	34966	32972	34641	34527	31884	0	41212	38840	20945	44179	22232	16845	32974	23420	48092	34450	15193	50434	30489	29424	80102	106342	130528	23028	21735	33201	22028	30338	0	16859	41792	24723	27534	17977	23063	31874	49754	22312	40058	21610	26164	34717	34591	33874	43084	21772	26562	0	34792	35438	25713	48776	52894	45848	18773	41016	21562	33388	29487	0	22707	36490	Phytochemical	0.26923078	1.3076923	0.0
18	C26 H34 O7	459.23773	459.23828	-0.065228336	459.2377	220096	241997	208289	210262	183698	111356	191152	212001	164666	217397	173652	162798	178157	117204	183584	273392	284288	165005	254344	287646	251111	174158	188533	234899	166257	350762	192317	179000	208868	209315	174786	221924	242703	158830	219397	221174	212255	179917	317856	161307	213457	137670	4918	631	374	144433	160476	547	235214	184677	240278	210104	154957	1297	204222	185988	139846	242468	152102	182059	228320	120940	199271	169528	114157	175663	152534	314260	272119	332203	431353	134685	132852	197812	265463	244688	0	130872	300203	134566	228988	133050	184291	146452	238397	156203	293495	119220	141621	312965	211966	220466	293354	137014	166239	1240	228053	207211	170330	217995	241238	260187	144259	212072	97291	183152	172853	677	209144	170045	Phytochemical	0.26923078	1.3076923	0.0
2	C20 H34 O8 N4	459.24493	459.2459	0.12866788	459.245	0	2138	1044	734	0	0	579	1296	503	339	0	806	574	0	766	529	545	653	829	0	0	582	572	1829	791	0	0	7714	1818	1617	1527	1342	1856	1393	772	1518	1183	731	1307	0	0	0	0	0	0	0	0	0	1984	606	1105	2672	507	0	1020	362	0	1662	0	0	734	0	376	331	0	684	0	833	0	0	0	1682	1406	1931	507	1351	0	515	698	113448	577	0	0	0	0	368	1167	616	819	1347	14036	9204	1937	4488	0	0	0	1565	0	0	0	1435	573	829	0	893	494	0	0	1137	Peptide	0.4	1.7	0.2
8	C20 H34 O8 N4	459.24493	459.24557	0.054022487	459.24496	4437	5351	6310	5327	0	1166	799	1106	0	0	5328	0	1296	0	1338	1884	0	0	0	0	0	995	0	1579	920	0	0	27556	2246	0	0	2108	2073	1067	0	0	0	604	0	0	0	0	0	0	0	0	0	0	1603	0	5580	6146	0	0	0	0	0	2331	0	0	0	0	0	0	0	0	906	0	0	0	0	1244	1239	745	0	980	0	912	0	59410	727	0	0	0	0	0	1611	0	0	1580	602051	263421	2009	20811	3827	0	6504	5754	0	0	0	0	0	0	0	1115	0	0	0	1024	Peptide	0.4	1.7	0.2
4	C20 H34 O8 N4	459.24493	459.24585	0.120533295	459.245	5373	5175	4850	4347	1012	11034	0	874	0	0	1762	0	1134	0	956	964	0	1613	0	0	0	1084	410	1046	743	0	0	20595	1436	729	1080	872	1736	0	0	647	1207	778	868	0	0	683	0	0	0	0	0	0	0	0	4450	4006	365	0	640	247	0	1272	0	0	1079	0	1532	521	0	451	0	0	0	0	0	0	0	655	0	0	0	0	0	207910	0	0	0	0	0	0	987	542	0	1420	445024	162693	1602	14552	2120	0	4656	5324	0	0	343	0	0	0	0	582	360	0	0	559	Peptide	0.4	1.7	0.2
6	C20 H34 O8 N4	459.24493	459.24567	0.0581009	459.24496	9044	8662	7952	9696	629	14997	509	997	580	0	3579	538	657	489	1186	1675	758	1351	0	0	0	1031	1271	876	1096	0	0	51728	2520	639	1194	1345	1998	1977	644	1296	1380	1054	1126	0	0	669	0	0	0	0	0	0	0	0	10658	11654	654	0	971	0	0	2000	0	0	0	0	0	0	587	1003	1049	1433	0	0	0	932	1319	891	0	883	0	1185	675	209680	519	0	0	0	0	0	0	617	1025	2075	701696	283825	1823	28613	4467	0	9103	8869	615	0	0	1590	700	0	0	1315	0	0	637	1577	Peptide	0.4	1.7	0.2
10	C20 H34 O8 N4	459.24493	459.24493	0.23021817	459.24506	0	0	0	0	0	1144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4518	0	0	0	0	1322	0	0	930	2826	0	0	0	0	0	0	0	0	0	0	0	0	0	1704	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	938	0	0	1300	55904	20343	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.7	0.2
24	C25 H34 O6 N2	459.24896	459.2494	-0.13118316	459.2489	4575	1865	0	2725	1692	1854	0	3861	0	0	0	1836	1932	1015	3191	3933	0	1350	0	0	3033	9746	4051	12838	5234	1841	1143	1682	4350	3004	4462	4231	5541	4358	1822	6594	6953	3052	4150	3052	2617	0	0	0	0	3559	1944	0	3539	3252	3554	3720	1986	0	2560	1537	0	6785	2563	2983	6507	2846	1584	951	0	3133	2821	3520	0	3344	2268	3186	1959	3020	3644	3067	0	2038	7487	1707	3649	2585	2164	3299	2028	0	7396	1728	2027	21028	6650	8499	47225	1699	2556	0	2136	3956	1845	2196	2784	5372	1450	2443	1658	15706	0	0	8351	1864	Lipid	0.24	1.36	0.08
6	C25 H34 O6 N2	459.24896	459.2497	-0.001161274	459.24896	5304	3384	6546	3310	0	1448	2732	3754	0	3174	0	2420	0	0	2782	6356	3598	0	1378	4364	3800	8834	3192	5644	3646	2066	2250	0	6100	3370	3074	4672	4960	3620	5596	6436	5702	3054	3524	4028	1868	2126	0	0	0	0	0	0	8704	7164	4124	4074	968	0	0	0	1066	4770	0	0	4280	0	0	0	0	0	1392	4552	0	0	0	5504	2492	6264	4886	4808	0	1988	1962	0	1798	0	0	2548	0	0	4440	1992	2192	39182	3195	2470	27832	2140	4724	0	4520	4174	0	0	0	6210	2902	5244	0	8346	0	0	3640	0	Lipid	0.24	1.36	0.08
26	C30 H34 O4	459.253	459.25336	-0.08986072	459.25293	5381	5415	7187	4837	5437	0	4172	6806	4078	0	2737	6426	0	2079	0	6021	10974	0	5473	0	0	6142	0	7163	10898	15141	2178	4683	0	8092	6259	4337	9832	3688	2143	8600	8276	5429	8065	3724	5127	0	0	0	0	0	0	0	6472	8849	7911	4395	4307	0	0	6351	4781	4994	4058	0	9150	4402	0	2431	0	3590	7923	7585	13673	5158	8742	4334	3784	0	0	7287	0	5479	12272	10377	7550	2760	5792	4765	0	0	24265	4193	5395	12212	3770	3616	12399	10570	0	0	7070	0	4798	10683	7392	11565	4743	7387	0	8235	5147	0	13073	1775	Phytochemical	0.13333334	1.1333333	0.0
24	C30 H34 O4	459.253	459.25348	-0.08030184	459.25296	4241	6156	3856	5210	4421	2006	4119	6869	2783	0	3819	5192	1794	2407	9858	13050	10668	1299	2811	2295	2932	4481	6008	4527	8135	9994	6127	5065	4338	7839	7465	4271	5520	3408	1659	8527	6804	8108	13724	2953	5314	2896	0	0	0	2873	3155	0	5969	5638	5430	6102	3715	0	3250	5121	3285	6916	2835	6269	6468	3285	2253	2000	2335	2519	8061	12568	8884	6098	10201	2647	2938	4813	6970	6666	0	6136	14394	4618	12555	1570	4203	4761	5968	0	23858	4866	5077	17448	1976	3825	12676	6161	2947	0	4458	3494	2491	6805	7393	12902	5250	8090	2610	8151	2603	0	15737	2293	Phytochemical	0.13333334	1.1333333	0.0
2	C27 H38 O4 S1	459.25635	459.25705	-0.18548466	459.2563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	290	0	0	0	0	0	0	0	0	0	0	0	43777	0	0	0	0	0	0	0	0	0	0	715	0	0	0	0	0	0	0	0	0	0	0	0	0	604	0	0	0	0	0	0	0	0	0	0	0	0	1268	0	0	0	0	0	0	0	0	0	0	0	0	0	34280	0	0	0	0	0	0	0	0	0	0	4698	4895	0	992	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14814815	1.4074074	0.0
10	C24 H34 O5 N4	459.2602	459.26013	0.16893852	459.26028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3661	0	0	0	0	0	0	0	0	0	760	0	0	0	0	0	0	0	0	0	0	1230	0	0	1299	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41759	0	0	0	0	0	0	0	0	0	0	49195	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1454	0	0	0	0	Peptide	0.20833333	1.4166666	0.16666667
10	C29 H34 O3 N2	459.26422	459.26443	-1.015231	459.26376	0	0	0	0	0	2135	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27110	0	0	0	0	0	0	0	0	0	0	49839	2668	0	1337	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.10344828	1.1724138	0.06896552
18	C26 H38 O3 N2 S1	459.26758	459.268	-0.119014464	459.26755	0	1596	1790	0	3044	2222	0	0	0	0	0	0	0	13443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2501	1814	0	0	0	0	474	0	0	0	0	1367	0	0	0	0	0	13256	11298	0	1775	0	0	0	5250	16947	0	0	0	0	0	0	0	0	0	313	0	0	0	0	0	0	0	0	0	0	2151	0	0	0	0	0	0	0	961	0	0	0	0	0	0	0	29368	20344	0	0	534	0	0	Organosulfur	0.115384616	1.4615384	0.07692308
18	C31 H38 O1 S1	459.2716	459.2724	-0.6020339	459.27133	0	0	0	0	0	0	0	8008	0	0	1389	0	0	0	0	6510	0	0	0	0	0	0	0	0	0	0	0	0	0	5035	5234	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3147	0	0	0	0	0	0	0	3884	30357	7078	4537	0	0	0	0	0	0	0	0	0	0	5524	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25842	41227	0	0	0	1192	0	Organosulfur	0.032258064	1.2258065	0.0
26	C27 H38 O6	459.2741	459.2747	-0.021804377	459.2741	334617	334516	334735	309889	443593	192863	242054	334699	372201	334907	432037	177826	327227	228465	258126	336557	304055	333283	554142	571697	495013	282412	211773	282535	295829	800585	225858	479205	355529	360526	279436	313630	410746	255438	493365	390323	391574	236538	312879	384862	321047	233149	8004	0	0	255885	217129	0	317141	281669	342476	337504	329576	0	516699	420774	213756	349694	264769	188399	320190	237504	331356	336604	164186	317151	302023	365568	637370	715506	685070	216618	261667	324711	259953	299509	0	199033	350817	279615	225082	200719	298442	317762	512438	294446	457041	207096	259770	292225	324052	384709	350621	261028	289796	0	326369	359674	261776	501300	507753	490617	179152	387336	221799	248193	434192	0	280093	307411	Lipid	0.22222222	1.4074074	0.0
24	C27 H38 O6	459.2741	459.2746	-0.048376977	459.27408	459524	473686	433991	428578	628546	265223	392112	362652	472464	494144	544357	261001	401149	321037	318298	498512	546160	415530	762631	624995	591106	353717	314293	376529	327703	962472	399045	545468	392914	402333	342780	461501	533880	337898	562857	486073	500063	299608	603901	431132	465311	262895	10593	0	0	281869	321231	1907	425561	349878	439614	447737	453512	0	632175	487280	276075	479892	292113	295014	444173	275306	469748	463024	252281	414236	363171	575695	702565	816206	994838	273023	319147	389498	422795	405555	0	290325	498439	493680	341190	232684	357073	346540	651529	397705	546964	312000	377966	542805	435696	465768	432103	636163	473115	2147	434721	464568	371817	600507	665490	619983	248260	465825	236758	366644	542292	0	351930	426404	Lipid	0.22222222	1.4074074	0.0
18	C27 H38 O6	459.2741	459.2747	-0.09371176	459.27408	27766	30010	29491	34596	24182	11930	44072	26882	23738	17547	14871	24768	18316	20489	24037	42867	85223	15104	33702	16863	14233	16139	27017	22893	22191	17570	50239	18515	28612	32536	26036	38858	37039	17929	12283	38796	29264	31676	89540	8497	17383	16912	0	0	0	9110	14755	0	37230	33608	35080	29232	18935	0	31477	33446	22747	34616	11722	29842	28912	7358	24697	27992	20851	23447	24087	99184	12407	15738	22094	12652	16819	35252	74678	30627	0	19111	51386	17114	35482	11447	24689	9232	44260	32564	55560	17575	12471	79459	23420	24264	31052	13880	14084	0	29535	30437	28069	54885	58272	35465	19561	22780	9123	26291	38482	0	33260	7488	Lipid	0.22222222	1.4074074	0.0
28	C27 H38 O6	459.2741	459.2746	-0.09208097	459.27408	63227	57199	60028	55749	80309	33426	64747	57486	75851	53267	66424	31540	67734	41391	38868	59003	60282	50828	101195	67264	65280	53129	41753	50346	59869	133904	53098	83200	67419	64754	52532	60903	83270	49795	80061	73946	66716	43455	62312	53183	60542	43168	7284	5425	3173	43171	31985	4535	57856	50705	60361	54660	56186	0	97600	76792	36539	75172	61291	32156	58774	44303	66408	62865	34677	74511	64808	69577	107441	103974	117779	36388	40845	60585	38472	62555	0	39055	74265	60452	46426	42826	58416	59737	98502	50570	108203	37341	45189	65812	61484	76010	60422	64347	47456	5749	60031	58386	55145	116587	130367	93998	34154	73509	47363	60058	82011	5103	49656	50461	Lipid	0.22222222	1.4074074	0.0
20	C27 H38 O6	459.2741	459.27463	-0.107246034	459.27408	98417	107243	102688	96006	110800	54975	112205	101064	103193	60544	71204	79593	81522	81259	84542	142381	217122	74447	112870	85488	75578	62646	68952	82771	84261	101187	128040	67719	95440	113316	75590	110187	120354	81455	78660	109072	99150	90531	216692	51962	81561	71243	2637	0	0	44640	79123	0	102295	92789	105093	106777	91042	426	109493	119144	75172	129173	52839	82562	100799	37270	92421	87167	78519	83614	76061	236510	82225	89361	144737	48947	73945	103109	180075	101070	0	71396	152112	74771	91162	40356	85222	65358	159109	97432	173919	62050	75734	202882	83185	89188	113317	53512	65610	0	96944	100982	87984	155024	174892	148079	65329	89357	39663	87770	124019	0	105218	77204	Lipid	0.22222222	1.4074074	0.0
16	C27 H38 O6	459.2741	459.27472	-0.05839186	459.27408	6073	5968	6860	6716	4111	1722	10161	4719	3335	3801	3060	7164	1869	5111	9481	12240	23464	0	4745	0	0	0	4271	5816	4134	3537	13234	3373	7306	6270	6328	9492	7782	3371	1658	7585	5708	8610	24550	1407	3733	3883	0	0	0	1419	4155	0	5906	6069	8020	6508	5084	0	6684	6683	4339	9232	5063	7317	7081	1150	4465	3974	4560	2249	4574	24850	4213	2999	4074	0	3616	10988	17439	10409	0	4786	12761	0	9348	3831	4636	2287	10882	3703	15348	2270	3770	26384	3328	5810	0	0	2368	0	6647	6964	4921	10740	14993	9420	4321	6809	5175	0	11004	0	11549	2333	Lipid	0.22222222	1.4074074	0.0
12	C22 H43 O6 S1 Na1	459.2751	459.27606	0.5472535	459.27533	3550	0	0	0	0	0	5096	0	0	0	5372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	108166	0	0	0	0	0	0	1765	0	1398	0	0	22310	0	0	0	0	0	13310	0	0	0	18406	5830	0	0	0	0	0	0	0	0	75540	613964	0	0	1424	0	0	0	0	327170	0	7096	0	0	8558	0	0	0	0	0	0	0	745	0	0	0	0	0	0	0	0	4497	0	5596	0	0	0	2297	0	0	0	2428	5230	0	24066	0	0	0	0	0	0	Organosulfur	0.27272728	1.9545455	0.0
14	C20 H42 O11	459.28	459.2807	0.063545205	459.28003	14039	14023	15448	9305	0	0	22573	4601	0	8897	19761	4481	0	0	0	0	8775	0	0	4604	1777	39851	2563	14400	0	0	8585	132542	0	0	0	0	0	1436	0	0	1611	3529	2918	3813	50738	0	2734	323	482	2779	40111	437	0	7321	17570	14338	0	860	0	0	618	22227	35102	138566	398905	8649	0	0	0	0	0	1498	205026	0	3963	3897	0	0	0	0	513	0	0	186223	0	0	0	0	0	0	0	0	1122	45603	626036	234854	0	26800	2097	499	21692	11311	2226	0	0	14206	3058	14662	24881	0	0	488	0	0	Lipid	0.55	2.1	0.0
10	C21 H38 O7 N4	459.2813	459.28192	0.10815004	459.28137	34514	34047	33832	29868	0	25395	0	0	0	1811	16126	0	0	0	0	0	0	0	0	0	0	1584	0	0	1959	0	0	319950	0	0	1318	0	4956	0	0	0	1914	0	0	0	0	2465	0	0	0	0	0	0	0	0	34264	34416	1023	0	0	0	0	0	0	0	0	0	0	0	765	0	0	0	0	0	0	0	0	0	0	0	0	0	1030	742109	0	0	0	0	0	688	0	0	0	0	2898049	1685179	0	82317	15963	0	34273	34452	0	0	0	0	827	0	0	0	0	0	0	0	Peptide	0.33333334	1.8095238	0.1904762
8	C21 H38 O7 N4	459.2813	459.28192	0.1348088	459.2814	24307	25011	24862	28265	797	26957	0	0	0	1451	21864	0	0	0	802	1090	0	1835	0	0	0	1094	0	945	764	0	0	312145	1285	0	1333	0	3214	864	0	0	4074	0	0	0	0	2828	0	0	0	0	0	0	2129	0	28743	25678	1649	0	0	0	488	1526	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1191326	0	0	0	0	0	0	0	1447	698	0	2392627	1400825	0	123163	19331	0	28051	28920	0	0	0	1460	0	0	0	1111	0	0	0	0	Peptide	0.33333334	1.8095238	0.1904762
6	C21 H38 O7 N4	459.2813	459.2822	0.074862935	459.28137	2168	3386	3955	3126	0	6241	0	0	0	0	1758	0	0	0	0	0	0	0	0	0	0	644	0	0	0	0	0	42318	0	0	0	0	1209	0	0	0	0	0	0	0	0	821	0	0	0	0	0	0	0	0	2949	2576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	379834	478	0	0	0	0	940	0	0	0	0	265540	99865	0	23274	2816	0	3792	1945	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8095238	0.1904762
12	C29 H39 O3 Na1	459.28696	459.28723	-0.23297125	459.28687	0	0	0	3663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10039	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1516	0	3570	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.10344828	1.3448275	0.0
20	C28 H42 O5	459.3105	459.31104	-0.05900635	459.3105	8166	8086	5859	5072	4393	2589	13814	9209	4701	0	0	7379	2639	7905	7138	8530	52107	1600	5351	2008	0	1770	2835	1902	8668	0	15274	3294	12646	15571	10196	17772	9722	5432	0	18204	10623	6512	45938	0	2277	4241	0	0	0	0	0	0	13050	9745	6093	4059	5590	0	2147	4030	4290	13195	2703	3141	9603	0	2481	3147	7417	4753	5491	55110	0	0	0	2894	7252	19464	36249	13430	0	6578	8853	3091	3584	0	3002	0	9500	10260	17305	3716	4300	39690	2533	2738	4590	0	0	0	5165	7917	3860	11223	10989	16544	7841	2095	0	7689	10751	0	13426	0	Lipid	0.17857143	1.5	0.0
22	C28 H42 O5	459.3105	459.31097	-0.15437408	459.31042	30247	38170	32859	33636	26384	21252	63946	36566	23687	6558	15731	34552	10776	35654	31045	62450	148211	14685	38157	5775	3845	10760	21424	21135	41771	7417	58775	19931	50032	62330	43071	57591	42991	27334	7737	62335	37589	42675	149874	3582	13710	25395	0	0	0	5232	11033	0	51176	48204	35024	33215	29713	0	30212	33690	26968	50808	10297	29326	40384	3847	15240	17473	33995	17212	31729	180464	6211	4083	9723	16769	34079	67437	110107	62253	0	25993	54507	18876	28740	8932	21854	7841	51594	40822	74112	25479	27305	109976	23387	22836	27869	8661	7023	0	31894	39213	26062	48630	51640	71253	27471	23123	8811	30235	46050	0	50207	8492	Lipid	0.17857143	1.5	0.0
8	C22 H42 O6 N4	459.31772	459.31784	-0.4256642	459.3175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26227	0	0	0	0	0	0	0	0	0	0	28466	11665	0	1265	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.9090909	0.18181819
10	C22 H42 O6 N4	459.31772	459.31744	-0.35509416	459.31754	0	0	906	988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6533	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30432	0	0	0	0	0	0	0	0	0	0	91652	30262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.9090909	0.18181819
14	C22 H42 O6 N4	459.31772	459.31842	0.0199925	459.31772	0	0	0	0	0	3725	0	0	0	0	0	0	0	9512	0	0	0	0	0	0	0	0	0	0	0	0	0	11054	0	0	0	0	0	0	0	0	0	0	0	0	0	1240	0	0	0	0	0	0	0	0	0	2166	0	0	0	0	0	0	0	0	0	0	0	0	0	2827	0	0	0	0	0	1025	1108	0	0	0	0	0	0	34401	0	0	0	0	0	0	0	0	0	0	205432	48838	0	6258	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.9090909	0.18181819
12	C22 H42 O6 N4	459.31772	459.3183	-0.079201676	459.3177	0	1517	0	0	0	5303	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	210777	0	0	0	0	0	0	0	0	0	0	115033	51328	0	11906	1250	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.9090909	0.18181819
28	C29 H46 O4	459.3469	459.3474	-0.06825086	459.34686	10217	8585	10434	8822	2585	2174	45430	28464	3763	1151	6790	10411	2249	7574	11532	24036	33413	0	4866	2023	0	2004	8408	4660	20733	4339	36043	7313	20127	29101	16305	15409	12351	9040	1680	28374	7653	17010	29919	0	2084	6552	0	0	0	0	2251	0	16233	24821	9030	8504	3662	0	7197	7727	6924	17491	4491	5019	18275	2802	2885	3206	7924	2565	11414	34168	4928	1341	1477	17895	8873	30449	11814	17578	0	8181	18806	10432	7941	4603	5998	5541	13300	11937	61197	3393	4902	39502	7465	7484	8810	5303	0	0	11362	10613	6407	16294	20446	18494	7408	6794	5008	9353	12302	0	18545	917	Lipid	0.13793103	1.5862069	0.0
24	C29 H46 O4	459.3469	459.34726	-0.14648937	459.34683	6853	7222	6388	8391	2364	2718	17946	19141	0	0	2495	14159	0	7197	14032	28368	67646	0	1806	0	0	1481	4758	3267	13677	0	26102	1564	14300	38095	18376	19284	6876	7417	0	29465	6832	18099	57001	0	1280	3506	0	0	0	0	0	0	16116	31554	10109	6536	3231	0	1823	2498	6759	14879	1643	2447	12251	0	0	0	11276	0	5991	69519	0	0	0	7371	8491	36784	41317	26533	0	12299	15868	2615	6369	1328	2284	0	3370	10962	39164	2761	3907	77765	3815	1995	4814	0	0	0	6825	7251	4266	3285	4564	18788	10231	0	0	5447	3625	0	17049	0	Lipid	0.13793103	1.5862069	0.0
26	C29 H46 O4	459.3469	459.34735	-0.17084236	459.3468	21454	19808	23249	21764	3267	7373	70195	44583	6708	0	6611	29706	0	15890	28468	39183	74026	0	5597	0	0	3398	14262	10552	33549	5345	74033	13391	45256	92369	35813	43140	22001	21788	0	71681	14327	36984	80333	0	3506	11093	0	0	0	0	0	0	37177	74538	18829	21682	10167	0	5977	7785	14510	36191	5048	9761	37137	0	2986	2861	22266	4174	13583	95574	0	1631	1640	19629	24971	93784	62520	56089	0	25165	43101	17589	18211	8746	9790	8880	13404	25156	101309	6043	12837	90059	14780	7880	11714	3572	0	0	22844	20513	12159	17350	17573	37586	28221	11342	0	21114	14645	0	42934	0	Lipid	0.13793103	1.5862069	0.0
22	C29 H46 O4	459.3469	459.34735	-0.09553841	459.34683	1361	0	1314	0	0	0	3785	2055	0	0	0	2884	0	0	1962	5200	16343	0	0	0	0	0	0	0	2373	0	3853	0	2633	6745	1368	0	0	0	0	3982	0	3803	13095	0	0	0	0	0	0	0	0	0	1649	5675	0	0	0	0	0	0	1149	3335	0	0	2100	0	0	0	0	0	0	17486	0	0	0	0	0	4254	9769	4500	0	1032	2527	0	1140	0	0	0	0	1287	5330	0	0	20289	0	0	2491	0	0	0	0	0	0	1159	0	1739	1288	0	0	1907	0	0	2848	0	Lipid	0.13793103	1.5862069	0.0
20	C21 H17 O11 N1	460.08743	460.08804	0.05118939	460.08746	15220	16907	14259	13654	21307	11287	2357	3045	23901	39617	16109	4865	50713	10691	5222	4897	2505	36954	24510	25820	38459	55907	11075	5574	2975	4276	2724	7837	1925	2918	3244	2177	4326	2688	46311	1442	4809	6970	3663	26001	24789	6074	1273	0	0	28556	52948	1081	1711	3885	15052	21044	17305	0	30125	29460	12588	7253	3940	4438	4843	26047	48176	32058	9683	24861	8712	2930	6768	9775	9143	0	2201	1328	0	0	0	1382	11697	38143	12335	27753	3813	13034	30605	14258	11359	8767	9743	5855	5595	10030	8809	67415	62736	0	15917	16466	17112	21680	21218	8550	1945	8343	28225	4442	17043	0	4167	41932	Phytochemical	0.52380955	0.8095238	0.04761905
28	C21 H17 O11 N1	460.08743	460.08798	0.02086369	460.08743	6226	6489	5796	6675	8185	6095	1945	0	10242	16180	4129	1641	18400	3990	2425	3868	0	14846	13961	7139	13551	23346	3893	2744	0	0	1911	1827	0	0	1555	0	3698	0	18209	0	0	1898	1020	7683	7964	3100	0	0	0	8579	11698	0	1786	0	6733	5457	6979	0	14200	7162	4185	1391	1598	1245	0	5586	20226	11188	3503	13450	5170	1540	3661	2999	3294	0	0	0	0	0	0	1437	8934	10751	4919	6932	1686	1711	11127	4724	5275	4296	3613	2126	3509	3407	3596	20189	28660	0	7679	6450	5271	7665	7830	3464	1173	2553	8834	3375	6341	0	2865	21364	Phytochemical	0.52380955	0.8095238	0.04761905
16	C21 H17 O11 N1	460.08743	460.08807	0.061485462	460.08746	21665	24843	20705	26747	26862	18999	3604	2905	38614	58530	34182	5357	51793	9824	4719	9195	4473	36930	36344	37507	61225	86456	8108	7256	4463	4583	2296	15035	2267	1996	1896	0	5514	2847	93214	1555	8069	5165	4431	32030	50339	8911	723	0	0	31415	68250	0	4684	2445	19184	20556	16144	0	35712	33639	11593	7696	5597	4633	0	30786	66244	38105	9754	42092	15333	3696	17766	12722	29470	1570	2260	0	2157	2442	0	4955	14801	66064	8945	39411	3332	16198	39274	13479	15181	13457	11560	0	5970	12833	0	85588	89423	0	20999	24927	21786	32699	32920	8639	4879	5743	38900	0	21951	0	4581	53934	Phytochemical	0.52380955	0.8095238	0.04761905
18	C21 H17 O11 N1	460.08743	460.08804	0.055207994	460.08746	23577	20307	21510	24572	34379	17941	5241	3000	38148	56523	25330	3851	57214	10719	7792	8616	5452	37639	37451	44541	53091	83485	10989	5137	4058	4508	4135	9778	0	1931	4122	0	7509	0	78000	0	8407	8880	6110	32518	45660	9110	1655	0	0	34067	65270	571	5743	1929	21317	24877	16837	273	43901	31297	13010	7137	6773	5657	5469	32144	61733	36262	14389	38066	12902	3241	15862	11076	22010	1614	0	0	3391	0	0	3625	20164	57213	11380	37398	4903	16970	38222	16895	15362	13586	16623	12574	8073	13901	16000	76961	95906	0	25024	22052	27110	33748	31232	6947	2561	5221	32588	5745	21407	0	4448	52035	Phytochemical	0.52380955	0.8095238	0.04761905
12	C21 H17 O11 N1	460.08743	460.08813	0.040081874	460.08746	10471	10162	8188	5650	14842	4974	2511	2187	16559	30820	18964	1886	20611	4378	1943	2569	0	14656	14863	17231	24961	32526	4029	0	0	3901	1507	0	1447	1095	0	0	2527	0	46099	0	1843	3554	0	15447	40097	4306	0	0	0	15346	38496	0	0	1154	7842	7064	6532	0	19357	17003	7284	2435	0	0	0	14561	37157	14367	3179	15022	5034	0	0	4346	18296	1497	1144	0	0	0	0	1390	3494	0	3496	13799	982	4317	18474	5447	5767	4504	5997	7153	3035	2789	3825	35300	22805	0	8911	12350	16688	20734	15276	3508	1501	0	0	2683	10987	0	1462	26030	Phytochemical	0.52380955	0.8095238	0.04761905
26	C21 H17 O11 N1	460.08743	460.08798	0.023186155	460.08743	6606	7763	5650	6182	8469	7671	0	0	11706	20653	3689	0	19600	2551	0	0	0	14923	17352	8011	20893	24678	0	0	0	0	0	2009	0	0	0	0	2403	0	22424	0	4010	0	0	7412	8819	0	0	0	0	9484	11427	0	0	0	6924	4985	5305	0	16605	8960	4372	2929	0	0	0	6186	23083	11855	3421	11667	6210	0	0	0	2680	0	0	0	0	0	0	0	5807	16512	6254	4464	0	0	15063	0	4075	3247	3670	4036	2244	2545	4890	21413	39272	0	5155	6985	5720	7492	9720	0	0	0	6704	1783	8922	0	2740	20346	Phytochemical	0.52380955	0.8095238	0.04761905
24	C21 H17 O11 N1	460.08743	460.08798	0.027904373	460.08746	7260	6677	6510	8727	11779	4726	1958	1423	11964	22554	3499	3013	23532	3799	2677	1464	0	14786	10856	10041	15330	23367	3065	3066	2619	1644	0	1745	0	0	1424	0	2371	0	19151	0	3352	3041	2069	8756	10316	2082	0	0	0	13585	21694	0	0	0	7110	6937	5779	0	17927	10921	3378	2402	0	0	1659	7098	19955	14144	4514	13478	4847	0	2332	3282	4723	1088	1301	0	0	0	0	1429	5202	18195	6516	14743	981	3610	9412	5021	4893	3931	4104	2140	2111	0	4484	33936	43990	0	4048	7173	6343	9230	12039	2444	2104	1520	12501	1451	8918	0	1858	22020	Phytochemical	0.52380955	0.8095238	0.04761905
14	C21 H17 O11 N1	460.08743	460.0881	0.040208176	460.08746	16379	16516	14934	15539	26827	8909	0	2591	27568	52743	35617	4739	49503	10072	3996	4191	3637	31017	19566	25728	47582	80183	5996	5955	2062	5972	3267	0	0	0	2226	0	4899	2250	81827	0	4809	7024	5687	27037	55274	6759	0	0	0	27616	58430	0	1927	1768	18946	20039	13893	0	34342	24521	7078	3387	7430	6132	0	29161	58084	31103	8742	27950	11103	3564	16992	11893	27104	2196	1685	0	2214	2067	0	2619	11272	45378	6489	26785	2673	9536	28497	9700	9696	12758	8499	8903	5683	7101	8119	86108	53496	0	14460	17732	20702	30050	26489	4899	2363	3177	23045	7484	20347	0	2833	41707	Phytochemical	0.52380955	0.8095238	0.04761905
22	C21 H17 O11 N1	460.08743	460.08807	0.05883918	460.08746	6734	9792	10490	9334	14345	8044	1460	2343	18385	32197	8040	1716	27930	6900	3655	5875	1917	25118	15632	10506	18190	34318	6788	3775	3079	0	2634	2400	1502	1337	0	0	2937	0	32680	1842	4011	3726	2113	14196	15196	5371	0	0	396	22883	33464	0	1743	0	9621	7759	10230	758	18335	14182	7386	2353	2057	3344	3602	14355	34708	21559	4243	18473	6276	2153	6411	6451	5016	0	0	0	1574	0	777	1991	12343	27559	7596	14991	1585	5744	23400	10728	5606	3780	5634	2458	4536	7193	7281	41405	53593	0	7068	11755	11090	17010	15150	4188	1651	2110	16023	3848	14067	0	4558	30608	Phytochemical	0.52380955	0.8095238	0.04761905
22	C18 H21 O13 N1	460.10855	460.1093	0.124998614	460.1086	9316	5547	8118	7484	13023	15738	1220	2765	13716	14761	9215	4823	10402	0	3409	0	5990	17430	7856	4298	21640	14482	5802	5854	0	5260	1315	2923	0	2771	2050	0	5481	1674	9971	1477	2197	2456	3433	7438	14409	6722	0	0	630	19666	62221	0	0	3049	5217	5239	7527	0	7659	8464	6581	0	2919	4287	1701	15215	8800	15750	4331	4280	9773	1493	16021	9301	9359	1761	1069	1608	3246	1367	850	4121	0	12759	2518	25429	0	4466	16589	5129	1519	4263	5892	3247	3579	0	2750	20836	19431	0	6614	8139	14383	2841	3524	4181	4832	1277	40913	5038	10149	0	1609	17782	Phytochemical	0.7222222	1.1666666	0.055555556
26	C18 H21 O13 N1	460.10855	460.10925	-0.07135873	460.10852	3842	2577	5354	3329	9615	10299	0	0	7768	3988	4761	4570	8152	0	0	0	0	19922	5665	0	19957	3274	0	0	0	0	0	0	0	0	0	0	0	0	6367	0	0	2484	0	0	8716	0	0	0	0	11077	50112	0	0	0	4479	3166	4038	0	6416	6516	3505	0	0	4048	0	10394	7049	8816	2665	3740	2648	0	7977	0	5562	0	0	0	0	0	0	0	0	0	0	13866	0	0	0	0	0	0	3244	0	0	0	0	5373	0	0	4397	5504	9585	0	0	0	3018	0	29228	0	7434	0	0	12449	Phytochemical	0.7222222	1.1666666	0.055555556
8	C18 H21 O13 N1	460.10855	460.10938	0.13570067	460.10864	6192	7845	4044	7795	16985	5363	1766	4882	18232	3071	8199	6508	30928	4064	4287	5664	6019	20157	24084	4993	15616	9934	8278	6931	0	0	1581	0	977	1320	2289	2548	5209	1777	6346	2200	5318	2744	4050	2883	9281	14388	0	0	0	4394	15801	0	2257	4303	8739	8156	10110	0	23264	28772	10070	0	0	7177	4142	2748	37017	20207	13586	20856	9127	5717	0	0	0	2966	3902	1221	6073	1930	0	2277	5018	7260	5421	2961	917	0	29738	9324	0	12330	8755	5173	0	0	3903	15286	8980	0	9668	8339	22541	25037	25909	6983	3151	3406	0	4185	23703	0	1504	30941	Phytochemical	0.7222222	1.1666666	0.055555556
28	C18 H21 O13 N1	460.10855	460.1092	0.07697566	460.1086	6750	6266	6330	6647	9945	13545	0	0	9666	8110	7074	2363	12705	3064	0	0	0	13878	11598	13421	25380	4658	3222	3125	0	0	0	0	0	0	1224	1410	1907	1387	8374	0	2357	1639	2112	5459	12728	5411	0	0	0	15992	51759	0	1623	0	7527	4673	8251	0	10035	5308	3810	927	3737	3396	1904	13188	8829	8315	4007	4622	6604	2688	11505	1987	8537	2145	2368	5043	0	0	0	2655	0	5121	3005	15904	0	0	6334	2802	0	3279	3742	1726	0	0	3162	6994	0	0	8009	7020	12509	2363	3797	3896	3333	0	32832	2870	11784	0	0	15859	Phytochemical	0.7222222	1.1666666	0.055555556
10	C18 H21 O13 N1	460.10855	460.1093	0.101432346	460.1086	19354	16784	16211	18370	35318	15928	2994	7421	45481	10840	19609	14929	81198	8782	9496	9819	18765	50052	47763	13943	38261	25949	18199	8369	1545	1835	4126	0	4998	6191	4965	4139	12223	5060	14021	5828	11975	9245	10000	7585	18397	25455	952	0	0	13822	38027	0	5328	8090	19155	16079	25781	0	60094	61315	19249	5977	8423	13877	8792	11720	79871	50868	17002	39868	21106	14219	0	0	0	6305	4550	4132	9306	5153	0	7980	12986	18487	10989	10329	2362	1880	64049	18693	9219	18974	19414	13036	0	5096	9185	32455	23023	0	19403	24032	43806	50584	60271	18044	12992	9338	20928	11646	44056	0	3669	65372	Phytochemical	0.7222222	1.1666666	0.055555556
10	C22 H21 O10 N1	460.1238	460.12454	0.077398404	460.12387	24174	25793	17277	19463	19430	13273	5175	7038	24239	79199	43757	5439	34941	11700	9073	8147	6238	20599	28710	46771	61006	47056	8886	9308	3099	24930	4741	23286	6195	6096	5590	9464	12042	4979	108171	3883	12151	6212	6572	39706	52009	7487	0	0	0	40303	52306	0	5551	7465	21457	21656	13612	0	26769	17776	7258	12766	8647	12114	0	30133	35378	25534	6930	28640	10519	8455	44203	38816	58302	5813	4243	2609	4974	6031	0	5433	16977	23272	8476	25982	8170	18544	20257	8876	12366	8331	8448	21303	7955	13288	17634	48300	50539	0	20130	20896	19476	23877	18460	9332	7154	12874	32080	11206	16682	0	8541	31038	Phytochemical	0.45454547	0.95454544	0.045454547
14	C22 H21 O10 N1	460.1238	460.1245	0.06857772	460.12384	56601	51012	49777	46317	38041	28220	15169	17449	49767	209428	106301	13046	82505	24813	16547	21707	17430	68152	58018	125774	158711	137816	24114	24083	16770	74008	16375	75521	12550	10630	12564	12826	25376	15017	255191	15361	19752	19908	18982	108125	108843	18911	0	0	0	96330	124255	0	18927	16676	49555	52193	31777	0	61098	45667	21652	26886	24488	20910	0	81575	80132	58905	19953	55561	28711	14255	100848	112806	122716	11329	11955	5930	10629	12104	0	14342	30885	92853	26803	73590	20331	59867	47778	29802	35569	19962	26563	41570	36368	40896	40726	117616	132009	0	52622	44287	41478	42157	39252	28010	15969	25288	73814	26506	37038	0	21625	76746	Phytochemical	0.45454547	0.95454544	0.045454547
28	C22 H21 O10 N1	460.1238	460.1243	0.010613847	460.12384	5416	4375	3900	3986	4430	4246	1932	0	6142	17702	4280	0	7308	2774	2355	2823	0	7084	6188	8500	11358	11287	3379	2864	2786	3270	1630	4091	0	0	1422	0	2628	1357	16946	0	2288	1741	1405	7321	6472	0	0	0	0	8114	9020	0	1214	0	4617	3403	5479	0	7502	3730	2459	1652	1895	2000	0	6098	9042	5073	1993	7083	2244	1763	6690	11236	9924	0	0	0	0	0	0	0	4852	8469	2689	5101	1947	3044	6725	0	3411	2012	2877	1578	3462	4888	0	9385	20633	0	4792	5251	4329	2768	4412	0	0	2603	5149	2287	3309	0	1125	8042	Phytochemical	0.45454547	0.95454544	0.045454547
16	C22 H21 O10 N1	460.1238	460.12445	0.01262783	460.12384	67479	61102	61235	62193	58837	37540	19385	22198	65087	258308	108689	14612	96929	25610	24327	25920	18024	87530	86710	153207	189680	175059	30975	29808	22364	83808	15513	76909	22900	15215	23256	14111	27472	19471	303171	13742	26323	18951	19746	130733	123547	26125	2154	0	0	105637	138504	515	19990	17264	68566	62620	40778	267	79152	57336	27258	29281	25486	21244	30315	86457	115261	60245	23760	59375	36884	19026	106206	148771	140052	17461	16548	10643	15476	17858	0	14181	32920	113672	26499	87882	23071	76173	55955	35480	39984	24952	30358	31994	43258	55044	49791	124266	198759	0	68489	67140	49291	53695	49267	34190	11764	31651	87034	30438	40752	0	25375	103888	Phytochemical	0.45454547	0.95454544	0.045454547
24	C22 H21 O10 N1	460.1238	460.12436	0.015702873	460.12384	7832	9362	6797	9097	16360	7291	1356	2195	12138	36734	11924	2151	16259	2944	5311	3469	3129	18580	14877	18688	24944	27111	5185	3763	4773	10568	3154	5308	1658	1738	1066	1185	3066	2009	38568	1473	3203	2582	1536	16928	15051	1676	0	0	0	19837	28547	0	2745	1760	7579	8719	7494	0	18369	8398	5682	3318	3720	2449	0	14946	22411	8984	4375	15293	6009	1882	10342	17934	10063	2094	1720	0	0	2049	0	1023	8281	24413	6097	12595	3736	11513	12984	5245	4602	5425	4594	0	5443	6149	4469	25126	47225	0	8685	7403	10157	8498	11906	3395	2604	3312	17094	3362	7747	0	2430	19200	Phytochemical	0.45454547	0.95454544	0.045454547
26	C22 H21 O10 N1	460.1238	460.12424	-0.12884818	460.12375	4606	4124	6228	4140	4957	5703	0	0	4379	26465	5440	0	9233	1840	0	0	0	8470	7836	10965	14554	15961	0	0	0	0	0	2979	0	0	0	0	2629	0	22729	0	2358	2691	0	9546	11550	0	0	0	0	13832	14202	0	2816	0	7549	2990	6105	0	8626	0	5250	2393	2907	0	0	8262	11020	8429	3077	8859	2681	0	6369	11694	10071	0	0	0	0	0	0	0	4423	11086	3481	7825	0	4012	6039	6474	3751	3162	4395	1459	3804	2895	5379	15040	23913	0	5063	0	3778	4194	0	0	0	0	9323	2524	0	0	2529	13438	Phytochemical	0.45454547	0.95454544	0.045454547
8	C22 H21 O10 N1	460.1238	460.12463	0.11443514	460.12387	9333	9903	6297	9194	10729	5101	2263	4176	14354	34715	24430	4001	18316	0	3911	6789	3960	10073	13110	19508	32066	26671	5624	4077	1922	8007	2595	9256	1632	2202	2687	3888	4409	2563	51073	1995	4571	3199	4310	21570	25283	3729	0	0	0	19202	29199	0	3703	2342	10502	12382	7438	0	16580	10189	4297	3968	1944	5913	0	13314	23740	12498	3468	12795	5647	4500	20290	15102	34233	4295	2305	1958	3319	3087	0	2947	8224	14338	3135	10605	2371	8450	10895	0	6256	4496	3944	5949	0	7219	5605	24547	22125	0	12068	10490	11968	16728	13176	3871	2384	4198	9487	4877	9181	0	3251	18211	Phytochemical	0.45454547	0.95454544	0.045454547
6	C21 H21 O9 N3	460.13507	460.13586	0.064691596	460.13507	8991	9468	9128	7951	4838	4051	4044	3559	7472	12418	9032	4289	0	2980	5047	5601	7340	8441	11070	10833	15052	14959	5743	8792	1568	1859	3865	2665	4372	4056	4539	5767	6337	4344	17947	5832	7666	4470	7209	9752	19390	0	0	0	0	11881	20008	0	8810	4300	8816	8905	4914	0	8452	6347	3934	5293	4614	6870	8102	9239	13598	7058	3044	11081	4746	10286	5107	5742	13223	4360	5609	2551	4126	4845	0	3103	6893	3792	4412	7481	3151	5608	0	3789	7744	5925	4967	14728	0	4194	14078	10558	11330	0	7936	7765	6004	10732	0	9378	4534	7687	11608	7139	5758	0	4504	12913	Peptide	0.42857143	1.0	0.14285715
20	C19 H25 O12 N1	460.14496	460.1455	-0.038586114	460.14493	89306	103823	115141	94628	108518	98826	44100	106228	129200	136518	101087	79890	171732	47996	97676	82677	86236	194393	168396	162836	256735	81199	133888	94434	46207	82524	40530	46870	83300	83168	76372	65192	83034	90526	125112	86732	84580	66786	56636	132847	129501	90645	8742	2290	1776	303203	491195	2346	73870	107600	96787	111391	104750	1090	163086	95198	54040	70888	87168	64287	72438	166687	136722	132178	63964	94084	76596	62034	171180	124106	139903	99738	84780	116628	66438	70990	1642	87460	73329	99907	60008	222708	44426	72808	136004	85335	48619	53186	64885	72368	37658	55238	130256	85960	95094	2218	114662	123878	126429	60831	78634	88694	57910	109526	308440	89205	127288	1466	48218	166056	Phytochemical	0.6315789	1.3157895	0.05263158
12	C19 H25 O12 N1	460.14496	460.14566	0.049463682	460.145	114992	120486	123552	112941	133450	104563	80463	166804	198739	161777	155578	101165	237347	56970	138556	103638	136303	263499	280224	259464	360714	211996	179609	137719	54808	55099	51911	71313	126984	109452	99909	86882	130630	80020	282586	115629	105076	105659	99937	130058	189147	120789	4510	562	347	276525	399938	371	91720	136989	115309	113283	121620	540	333791	169395	88769	92182	150612	117296	129471	181002	273603	197351	77622	164960	107117	96474	196164	79111	129207	99501	97977	111193	85333	81170	345	104392	95520	135358	99853	195289	62395	59797	190431	108341	89765	81742	104544	87139	37662	82375	149267	177540	140633	823	137214	198241	192045	111726	150922	145268	101562	138936	363841	99593	189576	421	59950	260383	Phytochemical	0.6315789	1.3157895	0.05263158
28	C19 H25 O12 N1	460.14496	460.1455	-0.038491987	460.14493	11661	7871	11572	10653	8918	9525	2136	8903	7188	25807	12477	4929	8226	3051	6352	6041	5718	12626	9715	27179	43470	7330	7560	8585	2806	4025	4506	4744	5925	5001	6992	5723	7871	6419	23567	7357	6911	5163	4781	16006	19671	3341	0	0	0	34837	45641	0	6759	8049	11051	7833	5998	0	10773	5230	3970	4720	4859	5570	5091	20767	6710	6340	3254	4649	7104	3187	18590	21241	22894	8886	6369	8504	6530	7057	0	6222	3306	6891	4467	21537	2763	10104	8454	3798	4300	3650	5618	3309	4382	5262	6529	5802	7281	0	10166	11877	8809	2378	4472	7286	4754	6685	34811	6563	8494	0	2839	12044	Phytochemical	0.6315789	1.3157895	0.05263158
26	C19 H25 O12 N1	460.14496	460.14548	-0.004634272	460.14496	10025	8253	8320	6353	7239	10636	0	7512	7888	21470	6331	5340	7818	2204	0	0	0	16386	6960	19871	28845	6856	6029	5179	0	0	1932	3402	6810	0	4924	5067	2806	4366	19248	5245	6693	2877	7326	16712	15303	0	0	0	0	27094	58001	0	3868	6076	9868	8358	9491	0	8494	0	0	3986	3803	5608	0	11331	7308	6749	3203	4442	3741	3003	13375	16069	18313	8409	8085	7939	7634	3315	0	6598	4637	5675	5673	23566	2584	5519	7008	0	2733	3271	5140	2289	2399	3849	0	4060	8978	0	7891	9427	8562	2560	0	0	5044	0	28125	3260	5839	0	0	11876	Phytochemical	0.6315789	1.3157895	0.05263158
10	C19 H25 O12 N1	460.14496	460.14566	0.023465008	460.14496	73140	78015	69745	76651	71073	56302	42136	89003	102366	111691	90218	57834	147105	36015	64175	79991	82060	132509	127475	125576	165045	107756	85979	85019	27158	24595	36055	37817	62424	73386	58952	57693	68310	53231	112803	71917	65819	49287	61743	80108	96434	69345	2815	0	0	118832	199240	0	53112	72217	77037	74010	60725	472	145739	100895	43316	50443	62227	69774	100036	70474	116035	109676	46773	86595	55057	67169	82192	36664	73764	68085	55929	71757	72730	56374	0	49361	65865	77620	64774	73374	32498	26699	107398	68196	52682	53109	51561	54947	20795	55340	94941	95656	110541	511	73517	104931	83004	74731	94076	92733	50303	83458	182974	57213	91693	0	31666	123188	Phytochemical	0.6315789	1.3157895	0.05263158
22	C19 H25 O12 N1	460.14496	460.14557	0.03468509	460.14496	24135	31224	16940	20020	30187	22906	9292	20656	28298	44472	27562	15661	23576	11241	25046	13481	16004	37897	22435	50766	65996	33749	20154	20542	10090	35723	9086	17890	16930	16624	18482	17953	15110	18271	36361	18413	17457	17523	15252	38349	42737	17119	0	0	601	69356	126292	0	17208	24062	26137	21085	18974	672	26384	18967	14499	14881	17095	15750	14428	40639	23094	19569	12852	14902	11275	12002	35746	53150	50343	18521	15042	21456	17873	14138	975	19187	14126	18433	12135	52492	6810	28514	28943	16915	11504	10650	16339	6710	9849	21728	12327	30743	31766	0	19910	27059	26072	12773	12056	15397	13032	18772	78826	17936	22951	0	9522	34093	Phytochemical	0.6315789	1.3157895	0.05263158
14	C19 H25 O12 N1	460.14496	460.14563	0.019701615	460.14496	174698	175828	168550	166550	173240	176614	88290	201065	279289	204737	180285	117062	407766	94011	188955	167191	148220	390791	352709	351758	450191	260299	220055	186733	83346	79976	72445	102674	159246	176714	114080	121349	168714	106923	317859	168050	126331	143716	95372	185045	207061	183911	8357	1041	600	365013	564541	816	115234	184703	172799	146344	162948	919	469570	204251	106143	111736	207627	119246	183098	244848	339290	294361	108882	197773	160256	94767	259934	119724	169520	121409	111789	159897	130327	125206	543	138915	121482	197120	126327	288658	72602	74240	255394	165749	105291	120157	144974	75759	66731	97569	212473	192015	197371	1546	175011	258024	230628	135631	181284	213682	120860	205470	503045	114300	230491	662	63674	323531	Phytochemical	0.6315789	1.3157895	0.05263158
8	C23 H25 O9 N1	460.16022	460.16095	-0.012909636	460.1602	16200	19452	15935	21465	12169	10744	9261	11497	17046	70255	37506	8705	25854	7947	5805	12841	10172	15532	17381	58339	64381	38190	9298	13001	6955	25795	5434	23228	8985	9228	8873	12831	13253	8546	89365	11994	12505	7743	14580	41615	40867	8699	0	0	0	28324	38779	0	13151	8898	21145	17773	10681	0	16790	14689	6446	11920	6749	11854	13691	28421	23424	17226	4437	15290	9548	13127	39348	50495	68752	9491	10343	6965	7318	8308	0	8180	13081	22094	8599	19349	8980	24174	13089	7763	10368	6880	8380	19827	15258	17786	20532	28078	42780	0	21844	21200	14631	14102	13596	11703	5032	18642	22350	11779	11554	0	8245	21930	Phytochemical	0.39130434	1.0869565	0.04347826
6	C23 H25 O9 N1	460.16022	460.161	0.010809525	460.16022	7825	8715	6450	9162	5099	4107	2469	6311	7165	31848	16150	3977	12125	2998	5462	7514	3638	7663	9637	19241	28954	19611	3883	7605	3446	12217	2393	9324	4048	3350	3649	5261	6165	3186	36399	4000	5083	3620	5291	17306	18709	3162	0	0	0	12916	20206	0	8070	4847	9953	8654	5201	0	9737	5517	3040	6132	3056	7206	5074	11202	10764	8857	2666	7573	4474	5613	17102	20278	27461	4870	4299	3463	3331	2826	0	3115	7242	8191	4217	7340	2937	7891	5567	4095	7111	4016	4244	7697	4643	8253	9634	14884	16653	0	9992	9042	5376	7510	6801	6765	3343	8315	0	6042	6228	0	5450	9870	Phytochemical	0.39130434	1.0869565	0.04347826
16	C23 H25 O9 N1	460.16022	460.16086	0.014153215	460.16022	90841	89378	93027	92612	75443	51161	41967	55123	71312	301639	159960	43760	98592	45812	43097	70393	42170	104746	108116	246762	265564	176221	60410	76960	50596	199612	31786	110015	55262	51089	56026	42133	68799	51901	335346	47821	72334	40399	52842	211641	150977	41520	2006	331	0	125244	134383	0	66118	51313	91009	100556	57887	315	90435	55072	35909	71340	56885	47983	67152	124220	105220	71533	30601	85092	56372	47615	172629	272200	259426	59888	53231	40198	44039	46236	0	31985	68010	117276	48047	91318	53801	133375	67528	48222	61704	47119	45936	74123	90654	98798	129762	115131	172326	0	90762	94863	60630	53950	55856	73648	33877	60851	82141	69090	52387	0	50630	100550	Phytochemical	0.39130434	1.0869565	0.04347826
20	C23 H25 O9 N1	460.16022	460.16077	-0.013617837	460.1602	67856	74996	77898	69201	62584	54523	22253	46661	59067	250055	112202	23100	105961	41494	37611	45115	25927	80449	93667	198385	195713	124849	43310	53672	37959	160017	24896	106849	34185	28855	33207	32992	54454	30514	275899	28771	51358	26837	25196	157720	104977	40300	2429	0	372	103341	110098	0	42567	31840	67265	76574	56529	497	70035	62522	34147	47617	38250	26549	50996	96173	94174	62127	30012	69675	53244	31240	132041	222292	194442	37885	31180	25735	24717	29047	0	23907	49571	75364	37936	69127	36801	119085	65864	40823	43846	37574	37879	44864	58997	77843	79166	103101	142092	734	70752	78583	55865	49676	56535	48435	21301	52475	73450	43905	50440	0	30786	111829	Phytochemical	0.39130434	1.0869565	0.04347826
26	C23 H25 O9 N1	460.16022	460.16068	-0.08950284	460.16016	8158	6846	6759	7811	4390	5096	0	0	6800	27379	7651	3649	10872	3509	0	0	0	12264	11218	9567	19251	12832	6631	5570	0	14532	0	8202	0	0	2526	0	3288	2604	25890	0	4322	2972	3554	12734	13820	0	0	0	0	14822	13852	0	4054	0	10305	10963	6995	0	8443	7159	3408	6616	4163	0	4583	8455	10314	5744	0	8549	4022	3934	15004	24926	30216	4952	0	0	0	2379	0	0	4281	8329	4256	7875	3210	6403	8622	0	6714	3302	3448	5766	3405	3833	8877	12337	20072	0	4807	5666	3799	6097	6435	0	0	0	8853	5657	0	0	2443	13649	Phytochemical	0.39130434	1.0869565	0.04347826
22	C23 H25 O9 N1	460.16022	460.1608	-6.66515E-4	460.16022	40167	39535	29039	40463	39049	26992	10490	16631	36388	119033	65360	11587	41506	20359	13623	18117	13699	42169	41504	91067	96888	63705	20747	30749	23692	86191	10002	52902	17788	9779	10726	12401	23636	18993	132398	10839	24140	15229	12348	70735	52763	20227	0	0	391	69766	67772	0	15700	10869	31964	39630	29115	259	45450	34969	17046	21917	19211	10648	23007	57145	48271	29653	12942	42068	23690	13831	77566	120213	112549	16150	10253	8160	8428	8163	617	11648	21464	38909	20610	51860	16864	43454	42528	22180	24592	17388	20462	22763	33475	37534	30077	56592	87501	0	33553	35371	29460	28297	32553	17617	13112	20630	43535	23605	29875	0	15566	58302	Phytochemical	0.39130434	1.0869565	0.04347826
24	C23 H25 O9 N1	460.16022	460.16074	-0.015086961	460.1602	12582	14189	14870	12325	16800	14665	2921	7174	20647	55412	19728	5587	23862	9578	4974	8445	5390	20792	16764	29273	30896	23831	7549	10066	7853	31833	2587	21012	4453	3932	6211	5559	7730	4577	50586	4330	11266	7591	5395	27323	24401	6309	0	0	0	29714	30040	0	7703	3945	16493	16073	11092	0	16161	13139	6711	8885	4701	4459	10807	26676	20928	14738	6670	19230	7739	3867	36889	48861	44317	8508	4749	2105	2815	5791	0	6417	12542	13445	7855	21213	4110	18447	20536	8199	8950	6019	8501	10231	8034	11613	17298	27011	31250	0	14497	15088	12173	16953	11558	12329	4560	9819	16560	8715	9249	0	9310	28837	Phytochemical	0.39130434	1.0869565	0.04347826
10	C23 H25 O9 N1	460.16022	460.16092	-0.005912507	460.16022	36148	34148	28773	31128	20959	16662	14090	24358	23582	122372	52027	13313	34569	14288	13248	20630	16616	24765	29600	97655	98983	61529	21115	25648	15983	63546	10851	44422	10931	17337	16037	20167	24567	12979	138955	17370	18150	15955	19745	78624	63379	12598	0	0	0	51597	61597	0	20754	18075	31231	34833	17963	0	30212	20427	9484	20316	13923	17811	23488	37292	30681	20020	10782	29381	15151	17220	64393	97815	91999	16898	15329	14379	12007	16140	0	11677	21137	34040	17745	31516	15505	38721	24233	9835	19692	11176	13344	35141	21292	28278	32069	39898	66498	0	33371	40435	20226	21624	19820	20609	10923	24901	31795	19456	17464	0	13353	31595	Phytochemical	0.39130434	1.0869565	0.04347826
12	C23 H25 O9 N1	460.16022	460.1609	-0.011712151	460.16022	46656	41584	49088	47997	32645	18493	26576	37868	37954	135162	83729	18326	51316	18506	22713	35899	29245	40967	45953	137463	152123	94579	30928	41890	26374	95510	24155	69342	30134	27950	28037	30395	38068	23129	195494	27546	30447	22675	33436	110500	124118	19529	0	0	0	82411	82725	0	38145	29949	46280	45774	22523	0	39659	25661	19536	36366	26116	35241	30885	82918	59260	36977	16260	41715	24276	32692	93114	140661	149438	27304	26085	27817	21036	26954	0	21710	31861	49752	25266	45609	30858	65553	35940	17908	34358	18066	21128	58659	39045	52303	46406	71875	80019	0	51321	47471	29867	23964	24660	35413	17094	33364	48609	31462	22942	0	27503	47881	Phytochemical	0.39130434	1.0869565	0.04347826
14	C27 H25 O6 N1	460.17548	460.17636	0.017587502	460.17548	257276	263001	257917	256484	194574	201921	184945	424557	295883	434142	234577	178509	382126	114647	343220	316911	217183	428050	417186	620019	561272	302804	372435	395101	264684	246727	141072	197565	381855	363605	259631	280790	307983	223859	563111	377112	257825	251250	159605	311906	205559	218084	6250	939	696	468051	385770	0	244970	374525	237810	240756	200019	1259	495864	216584	132824	264053	438068	188735	426396	294578	306108	307719	151060	218237	198788	147697	310237	351049	236999	264462	256159	397794	204506	240632	295	254527	223340	233835	225184	278892	188563	171296	273259	219400	204726	147050	189286	147774	174991	230819	398550	205657	272422	2852	246241	363242	222592	155680	205676	326717	193189	411818	363199	209108	226933	697	161634	299743	Phytochemical	0.22222222	0.9259259	0.037037037
12	C20 H29 O11 N1	460.18134	460.18198	-0.050013658	460.1813	120141	103847	131997	112533	97860	83631	132829	249077	140442	158392	116318	116541	150826	47620	185226	139218	163571	182909	205288	287309	306206	161081	208635	179237	126470	113875	63930	102441	215452	149512	156997	101607	164287	120356	257172	168073	116964	133163	110687	159571	144115	104637	3928	366	0	253508	241209	0	124341	174399	111502	102692	98118	526	253194	122896	75136	138095	206400	129235	183499	154644	148045	132110	68501	113188	105100	114208	197901	154924	150770	146576	133693	185697	106494	108186	206	135041	142373	93238	135151	144928	108702	107578	147680	107064	117987	65701	95592	122084	62789	124189	187989	104997	97549	1264	119593	199024	126760	82493	113933	170022	109959	179314	208114	127682	131849	0	105954	145483	Lipid	0.55	1.45	0.05
22	C20 H29 O11 N1	460.18134	460.18192	-0.041326456	460.1813	80114	69458	78362	73378	69908	66188	33980	105672	88646	151483	65122	52552	87630	40846	81168	62708	43170	123554	95512	143014	166887	77904	84489	91252	58524	69833	34929	40763	96468	83624	70954	77738	74488	72104	162615	83956	78632	58886	31902	94559	77438	41946	0	0	982	160716	128333	0	74158	76880	76506	64044	56746	1378	133718	54784	40188	61306	80508	39122	77397	78258	81604	82930	31850	65034	49920	32142	67752	127804	83181	97780	72576	112145	44390	64430	958	64008	63462	47269	65874	84146	47304	45511	78367	56002	49170	39974	45394	34316	40934	65641	76073	56594	79506	0	82532	78021	60830	45346	57834	78158	51874	84989	119234	48582	55584	0	39114	114254	Lipid	0.55	1.45	0.05
16	C20 H29 O11 N1	460.18134	460.18195	-0.025981408	460.18134	344540	368159	361311	370664	283902	282555	200003	536993	406547	621652	276230	222773	536117	145443	454742	360849	206167	647059	588804	843600	683346	389368	444770	480285	346182	264136	168441	203038	484246	415576	399619	357660	400368	322245	773323	449178	397304	295284	167900	452566	210569	286522	10161	1780	990	615934	456997	1374	367756	447609	360448	348129	263939	2518	722611	299370	183970	317238	445399	150171	443084	344223	454683	402021	148524	313543	256610	158208	290467	453513	263914	405428	372124	477752	219930	346120	765	304684	280178	244760	250691	342383	239026	249203	328393	239146	217857	177774	258017	173056	211756	352730	539063	215302	370428	3980	379834	466536	286075	171457	227903	442521	226858	433883	373449	345310	287727	1290	219972	522025	Lipid	0.55	1.45	0.05
8	C20 H29 O11 N1	460.18134	460.18207	-0.017567536	460.18134	31645	27970	22909	32017	17805	11947	17479	40808	20227	33286	20412	21635	32048	8321	24631	37762	28982	27739	29910	46954	49370	31922	30452	44890	17704	16911	16704	11163	33632	38121	26689	29014	27271	24713	41255	41216	27883	25276	28076	31573	25941	19776	0	0	0	45230	42171	0	31493	35153	24372	25276	16224	0	36751	24357	16444	28885	31982	25788	35411	25140	26251	24160	11226	22061	18094	26645	26453	18808	23322	29581	28206	35308	24776	29181	0	24637	23997	16701	20027	20727	20794	16500	27411	15508	20846	15717	16875	19821	16415	21938	38112	19325	25760	0	28780	34450	17448	16638	25438	37461	18923	44591	23400	22753	23738	0	16887	25563	Lipid	0.55	1.45	0.05
2	C19 H29 O10 N3	460.19257	460.19348	0.10967845	460.19263	9314	11148	10132	9542	6392	0	8148	7750	6210	3752	3142	13344	12716	3522	9676	2182	13628	11740	11316	3660	7902	11252	8956	9286	4386	0	0	2510	14110	5560	15088	10034	23618	12864	8220	11728	13188	7870	13103	4440	0	0	0	0	0	2734	4988	0	10794	8002	6516	9052	8384	0	11288	5966	3834	15262	4974	2162	1990	2298	14238	9734	0	10422	8220	15994	0	1552	0	11344	11894	7570	0	9566	0	9652	9328	0	7526	0	4256	968	7574	6426	4992	9796	10132	17862	5428	10734	23944	3184	1276	0	7578	7864	3248	6990	7118	8386	10616	6849	3108	15494	4160	0	7360	12696	Peptide	0.5263158	1.5263158	0.15789473
12	C24 H29 O8 N1	460.1966	460.19727	-0.03717676	460.19656	41676	37666	42629	36629	17849	20129	21360	41332	23564	107265	53908	20091	26276	15306	26115	31059	34093	27537	38515	110691	109614	61254	25597	35258	21421	75254	16300	58069	31044	27477	27303	35100	34491	28897	138072	27222	32039	23590	46669	86609	76967	18029	425	0	0	55796	53870	0	26966	29418	41938	37672	22254	0	29666	17186	15134	39204	16158	28152	26084	50614	30207	20758	11702	25046	23388	35437	69589	130270	112800	29496	22651	25614	24161	28132	0	17515	29164	30666	24624	26623	25106	47671	20731	14285	30793	17021	20444	62144	48463	42394	60656	46840	56450	0	43147	46116	23197	20087	17287	31002	18117	41685	32626	29416	19164	0	25746	31018	Phytochemical	0.33333334	1.2083334	0.041666668
28	C24 H29 O8 N1	460.1966	460.19714	-0.077746175	460.19656	12030	9441	10851	10437	16220	5840	8558	11533	12806	12475	7845	6588	11318	8269	7299	16962	10250	9810	14400	7706	13112	14471	10433	20476	8456	12669	5179	7619	9116	9897	10756	7540	12443	8167	12708	8539	10947	8389	14043	11308	11237	3875	0	0	0	9054	5939	0	9619	12948	9762	13730	11868	0	14386	5585	3272	19743	4377	4361	17428	5150	8398	13832	4221	10524	9703	18791	17117	18517	25516	8701	5951	7240	12642	6619	0	7150	16487	5290	10837	4358	5579	6450	10554	7670	17052	10194	9681	44204	8223	10787	25960	6509	6638	0	12232	9347	7710	13226	11635	14319	5675	9579	3077	21554	10135	0	11465	11685	Phytochemical	0.33333334	1.2083334	0.041666668
14	C24 H29 O8 N1	460.1966	460.1972	-0.093809694	460.19656	66583	58343	49762	65046	34569	33743	38412	58082	38718	129482	77610	32762	34888	24982	39716	63600	51766	37710	59033	154525	148830	101501	38877	59244	40809	116498	35655	74070	46196	50710	46006	54723	66560	42580	155222	50822	53124	30933	46469	107503	86226	30293	0	0	0	72570	70585	0	48221	50196	51336	58306	30909	0	43953	27060	19647	66392	44849	56461	53374	71815	38112	35514	20227	36285	36360	55666	95855	160232	150451	39591	46003	50875	39622	39909	0	36297	52411	46354	41402	40659	38851	68434	37143	22260	47104	37343	32853	90337	67791	73047	98572	55070	88614	0	63177	54092	30488	27684	31725	53170	36870	73395	32420	50623	22571	0	47817	40648	Phytochemical	0.33333334	1.2083334	0.041666668
16	C24 H29 O8 N1	460.1966	460.19717	-0.08750103	460.19656	99223	101676	87450	96244	51868	44459	45834	87514	62195	185889	98842	46593	55750	38780	62881	102037	76696	65325	82667	212058	194884	130252	68419	99980	60152	173934	54597	90510	72322	69539	72541	84060	89534	63797	210506	75633	95358	56499	80542	163057	139412	50383	1446	345	0	94929	92855	0	88815	81885	97627	92485	50062	0	62195	41774	33976	88274	56778	59689	93035	91606	68932	54910	31180	63952	51909	66688	160699	241703	221329	70867	65776	67909	61583	64526	0	46460	72806	83213	49056	66009	70344	121389	51364	35954	75045	45511	55000	127414	95972	107581	170821	68929	123827	456	95749	94301	44322	45056	51084	97291	38968	93345	64419	91349	43187	0	64061	69483	Phytochemical	0.33333334	1.2083334	0.041666668
22	C24 H29 O8 N1	460.1966	460.19714	-0.036670007	460.19656	76968	88089	73178	80264	70840	60228	28954	68279	73919	190081	112308	39608	74838	54216	46821	66768	43132	89971	82698	186433	194739	104427	60237	86708	62297	221290	26826	116871	70783	45591	61969	64483	66612	53351	213744	54809	86630	42110	49398	144963	111637	46841	3639	0	330	111433	90430	0	60342	53204	83674	81314	62348	673	71257	62003	40734	70046	46908	40573	71716	101621	73892	60233	34939	69817	56111	48425	182971	277628	245459	67465	45384	43524	37803	47269	0	44366	62429	65245	53898	66354	50139	90751	72977	44859	66969	47325	47841	72129	82891	89392	110486	76815	121540	0	74240	84349	51716	55045	59013	75201	37553	79988	69748	74891	54718	0	51313	89028	Phytochemical	0.33333334	1.2083334	0.041666668
18	C24 H29 O8 N1	460.1966	460.19717	-0.07501618	460.19656	125663	110728	108293	116358	80086	64840	58879	103902	74075	259450	161134	56413	93271	55139	80814	118432	78721	101235	133853	285754	277310	151049	87013	136417	79885	257991	59163	150374	104120	86670	87578	97998	119295	108546	259100	113603	106559	64534	83668	211619	171393	71954	2524	0	0	131722	123661	0	103964	91006	117019	114956	73526	308	94116	67068	57813	116663	78200	73897	117841	137540	106457	74767	42431	84578	76843	93913	225330	323551	315615	100363	75489	78216	76207	104178	0	57303	95512	99739	66136	87176	75153	127532	84582	63405	96157	69001	70016	125573	146079	145344	186073	99114	179017	0	122535	118938	63740	63338	64754	114429	59233	124345	70361	111025	56460	0	72981	99801	Phytochemical	0.33333334	1.2083334	0.041666668
26	C24 H29 O8 N1	460.1966	460.19714	-0.09240834	460.19656	13849	16663	19602	12177	21825	11278	7872	11213	15461	28070	19491	6451	18724	11102	9902	20489	8096	14314	17002	20083	28756	19361	12082	27055	8309	34419	4175	17044	9807	6072	10354	11397	12903	11720	27526	11324	14123	9633	15128	24083	21010	7870	0	0	0	17299	14756	0	10086	10998	17811	17472	19175	0	18256	8071	7065	17050	6911	4498	19847	14391	21258	13478	6157	18570	9647	14586	34388	40808	46986	12617	9239	7230	8660	8499	0	8056	15857	10040	14081	7396	5683	12685	22927	7563	19201	10976	11063	34591	12207	13979	24119	12179	19451	0	18836	18141	11532	21615	15052	15269	6068	10265	10891	15000	11108	0	11112	24565	Phytochemical	0.33333334	1.2083334	0.041666668
24	C24 H29 O8 N1	460.1966	460.1971	-0.049243137	460.19656	36511	33955	34056	39184	47269	23680	8930	18290	31065	81976	56991	13450	41815	24084	16432	30259	18627	34073	43845	67543	81435	37542	25355	35216	16698	86516	11386	45457	20602	15686	17842	17378	28206	21110	90488	19897	33317	13833	15739	57438	51034	17613	0	0	0	48097	40248	0	20365	20072	33765	34145	25280	0	33809	27890	14689	32524	21235	14369	36930	40571	39714	30106	11206	44305	25063	16131	87916	100486	116350	23014	18799	16558	14046	21894	0	18940	28433	25003	21582	25758	12936	38316	32111	21586	24631	19857	22224	26368	25828	33277	42377	31313	47208	0	33341	31207	23911	30602	21345	26071	15061	30243	30108	31755	25210	0	19112	43181	Phytochemical	0.33333334	1.2083334	0.041666668
6	C24 H29 O8 N1	460.1966	460.19736	-0.03930003	460.19656	10573	9898	10535	11647	3892	6334	6646	13811	6337	28209	12229	5205	5851	3938	7079	11320	5902	6581	9544	26048	31121	14600	7687	12250	5718	17757	4774	12863	9613	9697	8588	9420	10213	9648	25569	7866	12028	6409	8107	17756	16479	4762	0	0	0	13765	14151	0	11243	8214	10504	8076	6318	0	7785	4487	2412	9469	1702	4715	9992	7777	7202	4984	2747	7464	6162	12452	13229	23925	26545	10131	9420	6792	4990	6682	0	4813	5865	6155	4927	5537	3335	12426	4170	3830	6466	4447	4598	11348	8621	11510	15769	10580	18660	0	9927	10231	4528	3606	3846	10827	4395	11548	0	9268	3972	0	5713	5666	Phytochemical	0.33333334	1.2083334	0.041666668
8	C24 H29 O8 N1	460.1966	460.19733	-0.025474705	460.1966	23838	27402	20071	22337	12898	8240	8519	25403	11230	56515	32353	10846	14099	6757	11874	19004	14793	13359	19579	62357	56415	34132	11030	22041	10318	32196	8323	23726	14741	14017	12884	17376	19423	13379	65267	14841	18031	8989	14340	41744	34739	7357	0	0	0	30349	27242	0	23159	15593	21049	20180	10921	0	14430	5857	6727	15444	4910	8827	20660	26247	13568	12615	5595	12891	10181	15058	27558	59108	49368	17416	14373	11783	12781	17106	0	10850	12644	20276	10711	9817	8547	28042	8129	8254	10107	8403	9509	20184	19219	27843	26000	23413	41072	0	25358	19885	11021	9025	8024	16028	10212	25356	7725	14839	7271	0	11834	13786	Phytochemical	0.33333334	1.2083334	0.041666668
20	C25 H33 O5 N1 S1	460.2152	460.21536	-0.63354623	460.21494	212342	194767	185813	177576	141363	163875	121799	277533	216896	331007	99312	107241	312751	91280	267219	171742	74284	312672	321871	318051	231004	213551	230393	315672	270423	62553	105106	70975	283670	244338	227649	194857	283167	204639	381867	274509	367262	166835	84530	194468	55802	140197	3567	738	301	206183	77238	466	183234	196645	187758	179289	171196	797	447418	139986	95122	200892	300418	38550	266703	128723	262924	221336	67785	151200	159120	79496	53242	191281	73457	225944	208275	297928	95956	183885	317	218265	171383	72462	171673	101960	138682	82159	141852	125224	127521	97744	131997	77492	245691	283091	335619	114395	114705	1007	214807	237038	100921	100360	131540	267428	141918	302749	115833	216384	143323	0	144395	300613	Organosulfur	0.2	1.32	0.04
18	C25 H33 O5 N1 S1	460.2152	460.21527	-0.6125855	460.21494	244702	223109	223460	205704	157747	167346	149297	361584	217117	329173	140515	144210	337104	90765	317575	247665	100833	336597	341611	409357	262826	213350	279289	331758	284839	93200	124758	126567	376389	272735	271458	280252	294028	249165	369453	335269	322834	211823	86257	218527	69898	162125	5011	581	438	240727	93798	384	277154	271305	225175	219676	166719	997	477526	181125	121280	245941	277322	70470	282926	153447	263957	256126	96885	202248	180162	94809	75503	218746	95338	276265	244159	335129	142892	267542	282	218506	188099	98480	185268	106259	171083	104259	171124	169998	150926	116333	176451	78591	217627	297107	381957	91988	176570	2148	232201	265585	147244	109320	131099	317606	162094	318569	112008	213824	133302	637	156448	269876	Organosulfur	0.2	1.32	0.04
24	C25 H33 O7 N1	460.23297	460.2335	-0.06983945	460.23294	73613	72438	72272	63563	68365	51232	25242	62617	56751	118628	95088	33357	63764	43434	41761	72604	46690	64724	88988	151413	135188	75838	49963	86602	46721	196363	25946	90465	58165	49854	45315	55727	71473	62248	146079	62806	86683	32980	45338	101205	95087	36712	2897	0	0	76748	68064	0	56984	48928	68880	65979	61503	0	64463	52577	32536	79138	50608	33772	75957	69640	57843	49511	24839	73262	0	45876	179941	223641	224421	61631	51530	44739	31375	43774	0	41549	56965	47474	40831	42863	42801	79655	63156	37638	61428	45618	45538	79315	77590	82072	100144	57845	76959	0	69503	69396	40417	41154	49300	61535	28861	71143	48156	73325	49708	0	47871	67932	Lipid	0.28	1.32	0.04
16	C25 H33 O7 N1	460.23297	460.23355	-0.09367357	460.23294	31739	38018	40114	36895	20048	16633	27240	39169	18584	53298	38165	24271	17817	14310	24586	48751	45069	16032	29596	77786	71131	43787	29012	48059	31695	65550	25937	37618	35081	31997	37351	38639	44455	28738	60301	32888	46917	21594	45115	49689	57702	21032	489	0	0	28090	33754	0	47874	33691	37968	36080	19887	0	18723	13905	14304	48706	20842	31657	37317	25815	16284	14296	12099	20264	23354	53471	49822	77952	76437	29982	30699	39729	38122	33278	0	24706	25216	33439	25197	17679	25808	42369	22517	13883	31118	22938	17892	87547	49665	38862	51023	26943	45349	0	43950	33196	14660	14756	13369	48334	20631	39596	17413	49925	16301	0	39253	18865	Lipid	0.28	1.32	0.04
26	C25 H33 O7 N1	460.23297	460.23355	-0.05035862	460.23294	144907	134171	139412	128789	153705	94193	60189	119082	130101	205960	158916	74759	140718	98792	78510	122208	81934	134848	159696	265968	245824	124513	91092	154492	112800	330884	64490	178741	117452	103656	112757	127577	155106	120506	255193	125433	185500	93695	62376	188769	149378	89029	48344	61497	32488	105442	97244	54704	122640	89120	135125	122459	119276	37496	131526	112980	76309	145623	93317	52291	136218	69858	122773	110412	42639	121952	110779	91894	344420	394645	415264	65762	105614	99809	80022	111894	38911	99256	127098	69078	93584	89223	94409	139783	140070	61198	128252	86562	92915	105822	118478	147708	180190	97953	108158	51638	130517	142784	104482	140171	140586	126256	82654	115008	73800	120240	100750	62216	102163	140315	Lipid	0.28	1.32	0.04
28	C25 H33 O7 N1	460.23297	460.23355	0.030207358	460.233	8155	5837	7980	4422	6429	2892	5829	8731	3977	8209	6422	2963	4589	3953	5255	10847	10408	3911	8881	7445	10057	5946	6447	13202	11706	14765	5054	8196	7090	8345	7305	6740	15955	7118	7572	5929	14471	4947	9174	8268	8364	4517	0	0	0	3943	4322	0	8237	5350	7036	6407	7312	0	4809	4687	1729	11672	2925	2446	11317	2472	5698	4954	2723	6870	4493	7977	18412	21308	25571	6013	6140	6473	4411	5666	0	3308	10244	2923	8191	2847	3529	5219	6967	2640	14995	5303	3832	12491	6221	8933	16640	3956	4076	0	8928	6377	3677	6024	5773	11438	3787	5390	0	13407	2415	0	10203	5983	Lipid	0.28	1.32	0.04
8	C25 H33 O7 N1	460.23297	460.23367	-0.052655905	460.23294	18503	13980	9644	14986	3962	6533	9522	21372	3685	21766	11493	9153	3624	3509	10219	15708	13675	6908	8448	34650	27673	18187	9275	22171	11589	15048	8639	14309	18068	13778	14318	17015	16705	14300	28058	12383	21369	8260	15537	20444	14614	7769	0	0	0	12022	11439	0	18786	16281	15335	14733	6996	0	4767	2776	3722	14005	0	2266	15866	9653	2932	3914	3111	4394	7640	14845	11555	25442	21373	15715	13732	13425	10580	14819	0	9868	9590	8138	8616	1978	2721	14461	3560	4626	8949	5497	4997	25051	22361	10302	22373	12215	21559	0	12429	12778	3287	2022	2165	17216	7605	18725	0	14154	0	0	9418	4810	Lipid	0.28	1.32	0.04
8	C19 H33 O8 N5	460.2402	460.2412	0.51949584	460.24042	1316	0	0	0	0	1480	0	0	0	0	1025	0	0	1120	0	0	0	0	0	0	0	0	0	0	0	0	0	8803	0	0	0	0	0	0	0	0	0	0	0	0	0	751	0	0	0	0	0	0	0	0	0	1058	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40590	0	0	0	0	0	0	0	0	0	0	35008	7768	0	3570	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42105263	1.7368422	0.2631579
2	C19 H33 O8 N5	460.2402	460.24118	0.17899963	460.24026	2644	2494	1472	1168	446	16880	0	651	494	0	2483	664	498	491	639	251	732	1249	668	0	0	0	0	1138	450	0	0	102384	1081	0	1243	535	2291	630	0	440	718	383	877	0	0	0	0	0	0	0	0	0	0	0	1906	1507	2216	0	290	0	0	914	0	0	0	0	0	0	0	2533	0	789	0	0	0	0	868	0	0	0	0	682	582	361591	307	0	0	0	387	359	398	1079	530	2650	57444	28608	1613	21004	0	0	1573	2097	613	0	667	807	922	0	0	599	0	0	425	0	Peptide	0.42105263	1.7368422	0.2631579
4	C19 H33 O8 N5	460.2402	460.24112	0.14822093	460.24026	2336	3151	2882	2862	0	4551	0	0	0	0	4702	312	457	0	295	0	0	0	0	0	0	927	0	0	0	0	0	52103	0	0	0	0	0	0	0	0	473	0	0	0	0	0	0	0	0	0	0	0	0	0	2035	2173	0	0	0	0	0	543	0	0	0	0	307	0	0	0	276	0	0	0	0	0	0	0	0	0	0	283	0	258166	0	0	0	0	0	311	0	0	0	455	154687	56405	0	19514	2134	0	2046	1307	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42105263	1.7368422	0.2631579
10	C24 H33 O6 N3	460.2442	460.24484	0.0645598	460.24423	11764	7260	6208	10568	1740	7600	7516	16044	3066	4918	0	4728	2812	0	8892	12098	4232	5106	4080	13788	3596	24592	10040	25062	17592	6936	14902	18060	13030	7708	9154	11010	14094	9564	10384	8710	12562	7284	5608	10970	10158	7662	1322	1140	690	9004	15282	1078	10800	8812	10228	6528	2942	1054	3488	9100	5998	17323	0	3730	0	7162	7944	0	3490	0	3182	15044	0	6872	4616	8632	8206	5576	0	7380	0	10914	8178	12006	6180	7044	1634	9780	0	3406	10608	5454	4402	61900	35205	9486	72112	5978	19702	0	9910	8930	0	5644	8702	9824	5126	9422	0	25178	1400	1522	14168	0	Lipid	0.25	1.375	0.125
0	C26 H37 O4 N1 S1	460.25162	460.25195	-0.66803575	460.2513	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8498	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37927	0	0	0	0	0	0	0	0	0	0	16655	2841	0	1417	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15384616	1.4230769	0.038461536
10	C22 H37 O9 N1	460.25412	460.25482	-0.035669386	460.2541	3637	4388	3693	3421	1136	1674	14147	2677	0	1012	24496	2421	1056	0	1580	3639	2992	1269	1184	2683	1736	2256	1603	3049	2985	0	32262	11380	3575	3671	0	3549	3992	3506	1270	5423	4979	4397	2298	0	0	1062	0	0	0	0	14081	0	5782	2762	4084	4203	1661	0	2151	1321	1144	6733	0	0	0	3071	1052	0	22583	0	1097	5023	32585	0	15470	2007	3429	2967	2024	2752	0	2259	2152	17020	1681	996	1157	0	1044	565	2992	825	1814	15018	5443	3029	5045	4720	2147	0	3654	3650	3009	1280	1679	4673	1535	0	0	2432	713	0	2041	0	Lipid	0.4090909	1.6818181	0.045454547
18	C22 H37 O9 N1	460.25412	460.25464	-0.15242013	460.25403	31614	33313	27455	27972	19768	21181	43101	53658	21858	18623	12515	21016	36543	13617	42010	44675	27533	38833	52325	29558	14438	18323	28125	41671	40763	12045	31650	17852	58437	36523	36814	42570	51987	33320	16508	46820	44566	28335	19986	16361	4254	21802	1683	0	0	24061	7985	0	39447	32837	29077	30577	21988	421	56671	30921	16989	37722	28643	6830	41234	9004	35706	26528	20077	29844	25331	22395	4165	16348	5755	30903	25499	46232	33324	33305	0	27494	29735	9589	24715	9947	60833	34078	34299	27557	35322	23258	22364	16405	33565	29966	44078	9534	15416	0	25870	35906	17495	24331	22744	50235	23845	34252	9403	27818	25850	0	25764	26878	Lipid	0.4090909	1.6818181	0.045454547
22	C22 H37 O9 N1	460.25412	460.2546	-0.1484302	460.25403	41936	39369	38324	42161	26401	56583	46465	38938	38576	51899	13446	18140	62180	357241	48967	24035	7879	72765	69814	46985	25739	33552	39632	39492	46790	7101	20844	17347	60144	37647	40063	44233	54366	36448	58792	47361	70517	34024	6867	25170	2910	24346	0	0	0	23418	4307	0	42414	36918	45419	43809	28738	463	96104	33292	22674	45919	47810	5399	39303	16803	57575	44445	154531	51666	61044	6703	5954	24726	3283	41114	42477	45055	13067	37742	512	34868	20952	13084	17225	11963	52999	28293	23123	25801	30547	15456	30124	12088	64444	68697	56355	6611	25620	0	41383	45217	26475	19064	20905	52403	25073	35600	24738	34815	19583	0	20257	60840	Lipid	0.4090909	1.6818181	0.045454547
16	C22 H37 O9 N1	460.25412	460.25467	-0.107611515	460.25406	17130	12804	13473	15535	9965	12606	22987	27613	11168	8689	4107	9606	7630	9145	26709	24349	18273	19247	20441	12278	7094	9259	16121	23520	21070	4348	21707	5449	24342	23768	20565	19322	21399	12145	3408	29866	21043	14732	16013	3490	5505	10970	882	0	0	13908	1915	0	26485	23422	13667	14478	9581	0	16674	15560	7595	25415	11622	5547	28840	4693	9986	11692	9710	18653	14705	13493	0	6313	5026	12911	18971	33543	23382	18086	0	19057	13639	5839	12122	6189	25293	11305	17236	13751	15838	9503	12231	0	17782	17010	0	3102	3927	0	16501	17360	8383	11847	18876	26040	10276	17061	0	13274	12320	0	14816	10945	Lipid	0.4090909	1.6818181	0.045454547
10	C26 H37 O6 N1	460.26938	460.27002	-0.028826732	460.26935	11598	8672	12313	9679	849	1951	9110	14820	983	5320	2578	7800	0	0	7829	10786	53059	983	2821	7997	12542	6215	6509	13621	5515	5474	6641	5215	14909	10091	12480	11939	85537	10348	7122	11715	81945	8547	50902	6112	0	2913	0	0	0	4387	1446	0	12578	9511	9298	11707	1532	0	0	0	1176	10809	0	0	10352	1697	0	0	2954	0	2658	54009	0	6107	7046	10912	11207	15527	11922	12682	0	9191	4770	0	2971	0	0	4229	0	667	1706	2150	1364	41340	9235	0	29277	3584	5639	0	10589	11542	0	0	0	67734	7365	7237	0	17611	0	0	3636	0	Lipid	0.23076923	1.4230769	0.038461536
16	C26 H37 O6 N1	460.26938	460.2699	-0.0940276	460.26932	28688	30061	28660	28576	2836	1509	17123	13146	1945	7055	6264	12196	0	2386	8009	32186	150023	5013	9511	11508	15387	16037	9025	15610	9930	8265	22274	7583	19495	18619	29357	24956	218529	20421	4604	22978	157252	10416	77535	6441	1961	5489	0	0	0	1960	7000	0	24227	14765	27130	25538	3568	0	0	0	2606	22529	0	4924	30964	1404	0	1820	2114	4407	4615	227934	4016	8409	16028	14501	12800	14659	31937	19217	0	11280	4489	0	5396	0	1636	6124	0	2282	6280	2876	9525	1108481	18736	3159	392412	2613	4958	0	25041	27460	1598	2352	2540	233577	7741	6478	4291	115807	0	0	10114	0	Lipid	0.23076923	1.4230769	0.038461536
14	C26 H37 O6 N1	460.26938	460.26996	0.05678896	460.26938	10936	9148	9825	10383	1910	4203	5923	11630	1249	6321	4182	8125	1967	1478	7390	23338	18900	0	2985	14790	13011	4549	4329	10264	8645	6703	7549	0	14996	13823	15507	9994	22732	10282	8239	18939	20510	8637	13324	5708	0	3205	0	0	0	5913	5444	0	16598	9844	10530	8946	2473	0	0	0	1924	16254	0	0	0	1748	0	1230	1615	1494	4052	21799	0	9833	10329	10162	10722	13432	16086	12228	0	6890	4041	0	1894	1030	0	2473	0	0	3225	1582	5706	235919	13933	2280	99271	3499	9827	0	10801	8096	1171	1925	0	24517	7560	6009	0	31235	0	0	6317	0	Lipid	0.23076923	1.4230769	0.038461536
26	C26 H37 O6 N1	460.26938	460.26993	-0.08118497	460.26932	32232	36202	36246	35414	47648	22488	16124	36865	31282	39150	47601	24223	40119	23122	27719	50264	29762	28220	41784	71287	60517	34325	28220	35186	39133	105475	17897	63719	47108	37095	35093	38290	0	35904	43420	42984	37715	26335	26718	46494	40885	21750	0	0	0	38968	28022	0	36393	36938	35530	34541	33267	0	42619	40885	22336	48136	27966	24955	52331	31232	26630	28903	13172	35539	34711	35319	112580	85439	95503	38696	37382	41323	28394	34212	18179	26698	41402	45641	19516	21279	33574	42240	46155	27841	61018	21788	24030	79533	44768	60317	61684	33672	27845	0	45302	43833	23741	45699	50295	53302	22012	43982	22149	37906	40001	0	40118	27995	Lipid	0.23076923	1.4230769	0.038461536
12	C26 H37 O6 N1	460.26938	460.27005	0.021338815	460.26938	15053	13536	36275	15698	10323	3174	42478	82325	14373	23175	32528	37712	15408	10886	49596	37342	89664	14022	29873	37929	15800	11029	48600	37869	35233	8450	30770	9365	76371	48134	80291	53901	289861	38311	24632	67666	443450	52469	80479	8781	0	15297	0	0	0	6675	3773	0	62320	44267	16551	51886	16819	0	28190	20961	2006	61401	0	0	16252	3384	18117	16083	19075	18276	15540	106397	0	30321	11771	38779	46106	63099	23823	45696	0	70865	19786	0	28912	15489	14607	5262	30969	18961	53664	3191	18721	474154	114321	47027	247810	4216	29844	0	29134	67614	0	19576	31014	122489	52126	11724	0	72919	1096	0	38435	0	Lipid	0.23076923	1.4230769	0.038461536
8	C26 H37 O6 N1	460.26938	460.2701	-0.024139274	460.26935	7206	6360	4819	4484	0	760	4069	9327	0	2601	1760	5154	0	0	5655	6554	38165	0	1528	6504	3268	2726	4656	7483	3526	2482	5118	2450	8414	6295	7941	10382	18463	4485	4903	10987	17668	5112	41496	3215	722	1180	0	0	0	1990	1661	0	9508	7583	5846	5344	1166	0	0	0	834	8736	0	0	6918	1234	0	0	0	0	1550	37739	0	2407	2702	5805	6967	7444	8204	8021	0	4210	2329	4475	2849	0	0	1758	0	0	2389	870	1984	15485	0	0	16059	1844	4774	0	6769	5867	0	0	0	25559	3980	5729	0	9392	0	0	2722	0	Lipid	0.23076923	1.4230769	0.038461536
14	C19 H41 O11 N1	460.27524	460.2759	0.03756903	460.27527	459174	524561	409763	494558	41037	44227	109772	25747	48791	140629	1023352	15390	47909	94377	30166	22861	21622	31181	21098	97302	32382	71878	21517	44820	23228	47982	139152	1597075	22845	33174	13636	15504	20316	12757	31409	19572	18868	41531	17242	840845	300345	39232	121798	27479	25141	1220553	1298888	40637	13067	31166	508539	464275	24453	44953	31379	18304	47363	29974	4123350	163858	774353	1790234	154314	17852	67179	119668	152187	16919	467601	199720	194992	25833	13524	23677	19370	20390	38110	18383	21008	967022	20623	62228	49362	27934	27896	71513	15793	37952	24434	28868	155171	120131	59548	359562	103437	27571	473596	562017	41645	16217	32801	28987	20133	1235586	43985830	18099	36946	42608	21144	48509	Lipid	0.57894737	2.1578948	0.05263158
12	C19 H41 O11 N1	460.27524	460.27594	-0.013421202	460.27524	7932	7723	8392	5766	9978	7541	8115	11505	6326	18493	30388	6938	6872	6768	9278	5644	11822	9025	7793	15908	9296	9673	9283	7400	7614	7481	8455	38761	8876	6965	6733	2086	4116	2416	6961	5377	1609	7267	5695	13700	33591	9404	20428	8933	13876	20728	32243	10870	2422	6218	11925	8331	5022	17988	5193	7944	11457	4855	43754	18738	50571	32231	35936	3892	8630	24767	27277	4537	49492	18343	20573	3832	1987	4224	6043	3204	16753	5501	5102	67979	5562	9632	6607	4739	10829	9440	4731	3451	5915	12912	0	10852	6369	16969	10913	10012	6593	16885	10884	5489	6864	4687	6483	26448	445363	3601	8848	9722	4041	11341	Lipid	0.57894737	2.1578948	0.05263158
2	C20 H37 O7 N5	460.27658	460.27728	0.11254407	460.27664	1702	730	756	567	0	0	0	0	0	0	2027	0	0	0	0	0	0	0	0	0	0	0	0	592	0	0	0	90881	0	0	402	0	0	0	0	0	0	310	0	0	0	0	0	0	0	0	0	0	0	0	807	896	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	87391	0	0	0	0	0	0	0	0	0	0	90294	32133	0	7586	0	0	1051	1329	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35	1.85	0.25
8	C20 H37 O7 N5	460.27658	460.27722	0.11193705	460.2766	2584	3440	2496	2381	0	2324	0	0	0	0	4084	0	0	0	0	1378	0	0	0	0	0	0	0	0	0	0	0	70850	0	0	0	1039	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2196	2630	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	247534	0	0	0	0	0	0	0	0	0	0	218085	73194	0	23323	0	0	2574	1171	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35	1.85	0.25
4	C20 H37 O7 N5	460.27658	460.27716	-0.02099288	460.27655	1898	2180	1829	1356	0	4578	0	0	0	0	1431	0	0	0	249	416	0	0	0	0	0	0	0	0	0	0	0	77534	0	0	0	0	764	0	0	0	695	0	0	0	0	0	0	0	0	0	0	0	0	0	2027	1823	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	200872	0	0	0	0	0	273	0	0	0	0	126289	47994	0	10485	1357	0	1671	2751	0	0	0	0	366	0	0	0	0	0	0	0	Peptide	0.35	1.85	0.25
0	C20 H37 O7 N5	460.27658	460.2776	0.085019805	460.2766	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20997	0	0	0	0	1075	0	0	0	0	0	0	0	0	1711	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	58178	0	0	0	0	0	0	0	0	0	0	85012	14875	0	1411	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.35	1.85	0.25
20	C23 H41 O8 N1	460.2905	460.29095	-0.12887476	460.29044	0	1565	0	0	0	0	19117	0	1394	0	0	1028	0	2550	2457	2346	0	0	1948	0	0	1565	1884	0	0	2244	11292	0	0	2108	0	2523	2006	1607	0	1987	1624	1673	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1065	0	0	1550	0	3233	0	0	1673	0	0	0	1913	0	2324	3275	0	0	0	0	0	1625	0	0	0	0	0	2085	0	0	30341	9752	2969	1289	0	0	0	1813	0	4395	2358	0	0	0	0	0	0	0	1360	2417	0	1308	1751	1581	1571	0	0	0	Lipid	0.3478261	1.7826087	0.04347826
24	C23 H41 O8 N1	460.2905	460.29092	-0.12919736	460.29044	1666	5872	3755	5056	4586	3457	66043	3750	3112	2146	1659	1304	7079	10859	4037	2027	0	7016	8387	3019	1360	1766	2525	1738	3974	3643	39030	8284	4921	3144	2333	3330	4795	4078	2762	4343	6868	3332	2743	0	0	3152	2409	0	0	1755	0	0	4104	2474	3695	3025	3612	0	7155	2706	1817	5000	4983	1105	4553	2175	4925	3361	8432	12579	11579	0	0	0	0	4739	2205	4141	0	3088	0	2975	0	4253	0	2558	31138	18351	1602	4456	2914	2352	3996	1788	27537	29508	3009	0	3742	0	3562	3343	1038	1926	2939	5932	2616	3562	15227	3474	1130	0	2166	5595	Lipid	0.3478261	1.7826087	0.04347826
26	C23 H41 O8 N1	460.2905	460.29065	-0.20433873	460.2904	0	3411	2846	2959	2582	0	14367	0	0	0	2230	0	0	3503	0	0	0	0	4892	0	0	0	0	0	0	0	7012	16190	0	0	0	0	0	0	0	0	4787	0	0	0	0	0	0	0	0	0	0	0	0	0	2211	2229	0	0	0	0	0	0	4572	0	0	2728	0	0	0	6198	5073	0	0	0	0	0	0	0	0	0	0	0	0	177743	0	2935	5569	2812	0	0	0	0	0	2320	39838	35357	0	22272	6776	0	0	0	0	0	0	0	0	0	14692	2096	0	0	0	1857	Lipid	0.3478261	1.7826087	0.04347826
22	C23 H41 O8 N1	460.2905	460.29102	-0.08482481	460.29047	2438	2180	4041	3646	1392	2182	67032	2498	1244	0	0	1054	3670	4608	2845	2520	1629	2511	3922	0	0	0	2163	2024	2847	3577	35824	5031	2867	4025	2179	0	5043	4381	0	6398	2902	2052	4236	0	0	2385	0	0	0	0	0	0	2104	2903	4195	3405	1673	0	3464	1788	1295	2762	1963	1527	2256	0	3565	2518	5739	9302	33963	3015	0	0	0	2413	4489	6445	1374	3357	0	1677	1997	1313	0	0	49186	19702	1985	2872	3423	2292	3149	0	8463	5930	2514	0	0	0	4012	2272	1663	0	0	6667	1309	2867	5166	3569	1478	0	1650	1723	Lipid	0.3478261	1.7826087	0.04347826
16	C27 H38 O2 N3 Na1	460.29346	460.2942	0.11613384	460.2935	8579	6949	6259	7878	0	0	0	15493	0	6789	5624	0	0	0	0	5338	0	0	0	10484	0	0	0	1713	0	0	0	0	3114	3640	1664	7526	0	0	4536	2784	0	0	0	12364	2539	2666	4454	0	0	10234	0	0	13186	5576	6660	13762	0	487	0	1482	4563	6800	616555	193378	8687	36327	0	0	0	0	0	0	3637	7558	0	9098	6828	4549	3221	0	0	0	0	0	0	0	237772	0	0	0	0	0	0	0	9045	1852	0	11506	6372	0	8423	17609	1639	0	0	0	0	656652	0	0	0	0	0	0	Lipid	0.074074075	1.4074074	0.11111111
12	C27 H41 O5 N1	460.30576	460.30637	0.069209754	460.3058	2045	1661	2409	2020	0	0	0	6760	0	0	0	2814	0	0	1535	5027	0	0	0	1808	0	0	2947	2945	2733	1004	2076	0	5298	5344	5670	3407	3018	4400	0	4133	3213	1772	0	0	0	0	0	0	0	0	0	0	3520	5826	1537	1737	0	0	0	0	0	2083	0	0	0	0	0	0	0	0	0	0	0	0	0	4079	2365	4653	3637	5030	0	4401	0	0	1403	0	0	0	0	0	0	0	0	51042	0	0	99293	0	1188	0	1702	2246	0	0	0	2969	3793	0	0	16572	0	0	1232	0	Lipid	0.18518518	1.5185186	0.037037037
24	C24 H45 O7 N1	460.32687	460.32648	-0.21038128	460.32678	0	0	0	0	0	0	40440	0	0	0	0	0	0	1410	0	0	0	0	0	0	0	0	0	0	0	1808	25961	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2287	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5992	6730	0	0	0	0	0	0	2801	1203	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.29166666	1.875	0.041666668
26	C24 H45 O7 N1	460.32687	460.32693	-0.24159847	460.32678	0	0	0	0	0	0	56044	0	0	0	0	0	0	3962	0	0	0	0	0	0	0	0	0	0	0	0	29364	4895	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6229	0	0	0	0	0	5286	2386	2371	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6710	2432	0	0	0	0	0	0	4102	4406	0	0	0	0	0	0	0	0	0	0	0	0	13439	0	0	0	0	0	Lipid	0.29166666	1.875	0.041666668
28	C20 H12 O13	461.03506	461.03564	0.11698018	461.03513	6291	6195	3614	6890	17914	6259	1775	0	14032	1542	0	1280	30629	8058	2590	0	0	20160	20412	0	0	4862	6069	2877	2111	0	1581	0	0	0	2659	0	2624	0	2705	0	2492	2608	0	1374	1752	2144	0	0	0	2213	3518	1870	0	0	5153	5368	10069	0	16326	13308	4069	2210	0	0	2263	0	31970	15024	3604	19818	3565	1230	0	0	0	0	904	0	0	0	0	1857	8380	0	8941	1175	0	0	21150	4880	6381	4467	3366	1942	0	890	0	1838	4066	0	6692	4802	9590	16036	21827	2662	0	0	2632	1374	11848	0	2112	27635	Phytochemical	0.65	0.6	0.0
22	C20 H12 O13	461.03506	461.0357	0.27851537	461.0352	3051	3199	0	3234	9750	3877	0	0	9233	0	0	0	15043	0	0	1349	0	7708	5959	0	0	2973	1980	0	0	0	0	0	0	0	0	0	0	0	1817	0	0	1900	0	0	0	2243	0	0	0	0	0	0	0	0	2659	1678	4640	0	9043	7712	2384	1425	0	0	0	0	20790	9519	2453	7737	0	0	0	0	0	0	0	0	0	0	460	0	4484	2293	3365	0	0	0	11410	4800	2975	3325	5863	0	0	0	0	2312	3325	0	0	0	6682	13928	12758	1479	1317	0	2716	0	6910	0	1481	16762	Phytochemical	0.65	0.6	0.0
26	C20 H12 O13	461.03506	461.03555	0.08623865	461.0351	4684	5251	5670	3461	14587	7637	0	0	13902	0	0	0	22253	6832	0	0	0	22968	16251	0	0	4216	0	0	0	0	0	0	0	0	0	0	0	0	2454	0	2026	0	0	0	0	0	0	0	0	0	0	0	0	0	5496	5576	10048	0	16406	9165	4204	0	0	0	0	0	28286	13365	4451	13603	3827	0	0	0	0	0	0	0	0	0	0	0	7584	0	7528	0	0	0	17908	6990	5498	4047	4192	2038	0	0	0	4591	0	0	4416	0	7011	17575	16794	0	0	0	0	0	10716	0	0	28576	Phytochemical	0.65	0.6	0.0
24	C20 H12 O13	461.03506	461.03568	0.2353052	461.0352	3667	3013	1417	3726	7567	5651	0	0	9304	1316	0	1619	21988	2972	0	0	0	12238	9272	0	0	3053	4372	0	0	0	1357	0	0	0	0	0	0	0	1914	0	0	1849	0	1361	1298	1546	0	0	0	991	1637	2548	0	0	2165	1852	4472	0	8428	13140	2155	0	0	1096	0	0	19898	12547	2508	10351	2616	0	0	0	0	0	0	0	0	0	0	1063	7125	1767	6925	1481	0	0	20997	4435	4313	2493	3374	0	0	0	1734	2896	0	0	2543	4252	5831	13332	13157	0	0	0	0	2500	9394	0	0	20899	Phytochemical	0.65	0.6	0.0
26	C21 H16 O12	461.07144	461.072	0.029035103	461.07147	6892	8718	7590	5656	18991	11686	0	0	20920	9706	0	0	41603	11778	0	0	0	36621	23538	0	7721	13267	4930	0	0	0	0	0	0	0	0	4143	2267	0	10750	0	3379	4262	0	3010	3437	0	0	0	0	7131	10630	0	0	0	10126	8004	8629	0	25898	19325	6937	2780	0	0	0	0	40677	21917	5581	25595	5895	0	0	3399	5449	0	0	0	0	0	0	0	11088	6296	14962	4190	0	0	25142	10196	5455	3581	4693	0	0	2194	0	12150	17087	0	9634	5763	13081	19575	19986	0	0	0	0	1412	16602	0	3038	37915	Phytochemical	0.5714286	0.7619048	0.0
14	C21 H16 O12	461.07144	461.07214	0.0616302	461.07147	22506	18418	26357	22996	46691	19846	5136	3948	55062	30309	31257	6410	71125	13267	7138	5852	4208	45160	52670	20252	35527	71391	13996	7519	1785	2053	3846	0	2427	0	1975	0	7739	3480	59556	2215	5138	9913	2488	17570	27634	10430	0	0	0	20146	60920	0	1966	3040	25423	22452	23608	0	44110	48964	20620	9575	0	7008	0	17769	100824	54172	17557	62350	16130	5761	0	0	17701	2387	2276	0	4242	2983	0	4297	21519	29682	16582	36415	1245	4420	63252	22521	17344	19434	14536	9466	3450	5445	6977	95761	48595	0	25599	18170	50586	73821	55105	8851	4834	7764	25459	5795	41539	0	4255	75398	Phytochemical	0.5714286	0.7619048	0.0
20	C21 H16 O12	461.07144	461.07208	0.06141291	461.07147	95292	110312	93840	59696	217954	105512	15208	7996	216500	89644	59544	18636	391160	91828	41524	9168	9636	242952	199708	67476	95616	208948	59920	23400	19840	9420	26040	23988	8524	5656	8884	0	27176	0	111680	8512	26832	35400	9556	57312	65276	32944	6668	0	1524	61048	177500	6560	8352	10732	85896	101428	121280	3424	223996	196136	75424	21540	15508	27360	18236	64911	376412	195300	56280	220022	66320	8452	17744	24431	43248	7248	11068	6608	14032	6200	2916	15968	102584	111624	70752	99004	11676	0	270056	103944	84876	68136	66944	17048	20136	15336	31540	220716	147103	0	76360	78980	153644	245228	256156	22544	18128	23976	123130	12072	176068	2568	19444	315710	Phytochemical	0.5714286	0.7619048	0.0
16	C21 H16 O12	461.07144	461.07208	0.028765904	461.07147	36406	36928	25143	31372	68128	31807	6915	3648	71067	40029	32736	9833	111833	21626	12767	10048	3044	77575	64141	28992	46486	78827	18474	5417	6688	4247	4677	7909	3100	3155	2942	3067	10583	1719	68792	2198	9591	12454	5464	20283	32167	16060	1314	0	0	34074	68363	553	3362	2276	31583	29960	40789	0	65942	61639	26220	8856	7336	9361	0	22798	127498	57035	21105	71077	27338	6701	18699	6031	19054	4184	2082	0	2528	4745	327	7408	32215	67368	23624	44781	2424	7303	74040	28342	25784	19864	20311	0	6860	15609	0	86244	68483	0	32019	33568	51505	80446	76631	8254	6846	9449	42130	0	52296	0	4219	113788	Phytochemical	0.5714286	0.7619048	0.0
24	C21 H16 O12	461.07144	461.072	0.108087346	461.0715	9113	7630	7441	9089	23922	11201	2319	0	24115	9730	2479	2515	45720	12783	3759	0	0	31096	23893	2933	6296	15148	6553	1870	2928	1417	1340	2098	1254	0	1294	0	0	0	10739	1158	2330	3100	0	2702	4195	2544	0	0	0	6955	11103	0	2407	0	7260	10674	13904	0	31237	27095	7654	1953	1590	2307	2319	3912	43381	22966	8117	31101	4754	0	3633	4364	3068	1032	0	0	0	1708	0	2605	14456	8062	15733	8099	0	2757	36190	13793	8364	3848	8311	1855	1790	2452	5245	19497	14802	0	7925	6128	16723	29072	23038	0	1994	3022	7169	1192	18108	0	2453	41625	Phytochemical	0.5714286	0.7619048	0.0
10	C21 H16 O12	461.07144	461.07227	0.1647862	461.07153	4716	3511	2623	4670	10344	2873	0	1273	14432	6219	5161	0	15191	1941	1059	2016	988	9827	5805	1616	6525	11803	3207	0	0	0	0	0	0	0	1002	0	0	0	14654	0	0	1822	0	2224	2750	2073	0	0	0	2692	11234	0	0	0	2997	3321	5061	0	9036	11654	3737	0	0	1822	0	1592	22083	11897	3836	14625	2477	1794	0	1985	4390	0	0	0	0	0	0	725	2811	0	4381	6278	0	0	15154	2819	3906	2306	3297	1186	0	0	1731	15608	5686	0	2490	2064	15661	18012	13794	0	1694	0	0	0	9395	0	987	16297	Phytochemical	0.5714286	0.7619048	0.0
12	C21 H16 O12	461.07144	461.07217	0.12574774	461.0715	12599	13234	13887	14951	21544	6152	0	1844	32154	20018	19299	3187	34966	7082	3338	4381	3686	17766	22860	12473	18750	39539	8889	2945	0	0	0	0	0	0	1686	0	1977	0	30555	0	2996	5235	2074	7201	19086	6846	0	0	0	13986	34703	0	1827	2054	8902	14691	13186	0	21299	22971	9991	5618	0	0	0	4983	59924	25678	8365	30117	10190	0	0	4261	13137	0	0	0	2512	0	0	2265	11561	0	8083	14753	1052	1200	32128	11337	10024	7828	8510	5301	0	2415	7231	46628	21697	0	13107	11467	27893	38576	31037	5434	3624	0	0	3200	21477	0	2530	36416	Phytochemical	0.5714286	0.7619048	0.0
22	C21 H16 O12	461.07144	461.0721	0.13258207	461.0715	16544	11274	8700	13061	32762	15786	2763	2437	40255	13471	4273	2708	57743	13902	5751	2659	2352	41308	26648	8737	17048	28523	8373	3651	2812	2678	2549	2939	1493	0	1083	0	2780	0	13643	0	6407	6647	0	7611	9514	3045	0	0	836	13233	20085	0	1255	2439	11747	10465	20834	0	35123	35614	12938	2719	2602	2700	3572	7678	57076	34855	8865	38491	7943	0	4359	3216	9584	1336	0	0	1582	0	996	3423	18748	20081	15324	14721	0	3589	47562	21678	12425	8492	9520	2402	3381	6679	4390	32004	29942	0	12884	14521	27582	37726	35641	1690	2770	2672	19461	4755	27220	0	4491	64781	Phytochemical	0.5714286	0.7619048	0.0
18	C21 H16 O12	461.07144	461.07208	0.08549527	461.0715	35763	37166	21946	29206	61216	31683	7521	5268	59269	40508	28617	9817	120293	23649	13077	8051	5266	69147	59660	25258	37822	60122	16660	6724	3584	3712	3678	5827	0	1651	3873	0	11964	0	52008	0	11013	13382	2395	16581	20914	20092	1313	0	0	35819	51933	1293	4295	2322	29275	27901	37223	476	71993	56298	25560	9070	7245	6371	5807	19835	124483	62350	23792	80934	22855	6043	8319	5326	12770	2257	0	0	4470	0	506	6947	31912	46434	33455	42061	3331	5838	86409	38682	19076	16631	23236	8177	7716	12540	9678	65096	58707	0	26237	31662	60870	81945	72708	7878	6407	5188	34010	6772	59847	0	4092	115341	Phytochemical	0.5714286	0.7619048	0.0
18	C20 H16 O11 N2	461.08267	461.08328	-0.11544398	461.08264	3907	4037	3886	6694	5050	3339	0	0	4286	7543	2145	1801	17895	2761	1418	0	1595	4995	9203	5812	12038	16267	1924	2041	0	0	0	0	0	0	0	0	3474	0	9758	0	1867	3114	0	6571	9157	3759	462	0	0	8105	20919	0	0	0	3547	4584	3785	0	7407	7849	3051	0	1532	2147	0	7000	16355	12130	1639	6158	3093	2221	1477	2065	2538	0	0	0	0	0	0	1419	1795	14098	1459	11784	0	2206	8506	4710	2062	1337	2687	3373	0	0	4083	18200	16967	0	2938	3170	4825	7300	8914	2129	1203	2215	11358	2202	4484	0	1216	16841	Phytochemical	0.55	0.8	0.1
12	C20 H16 O11 N2	461.08267	461.08344	0.057963066	461.0827	1992	2642	1511	2978	6569	1041	0	0	9621	5382	4512	0	12020	1291	1076	0	2605	5510	7149	2946	11766	11265	2563	0	0	0	0	0	0	0	0	0	0	0	13155	0	0	2054	1356	5214	13607	1568	0	0	0	4960	16821	0	0	0	3584	2171	1888	0	7970	6035	1884	0	0	0	0	4833	24554	6666	2198	7864	2933	0	0	1880	2995	0	0	0	0	0	0	0	1633	0	1469	6519	0	1935	9293	1532	3621	1598	2860	4692	0	0	0	19424	6275	0	4152	4830	3924	6133	9621	0	0	0	0	0	5475	0	0	15583	Phytochemical	0.55	0.8	0.1
14	C20 H16 O11 N2	461.08267	461.08347	0.19441442	461.08276	0	4280	4213	3948	7586	2393	0	0	9095	7358	8656	0	17790	1987	2469	0	0	8503	7720	4676	16064	27336	3746	0	0	0	0	0	0	0	1333	0	0	0	18461	0	1502	1433	1831	5980	18097	2512	0	0	0	9527	32998	0	0	0	8763	4464	4287	0	8096	10136	2802	0	0	0	0	8730	23850	17984	1854	9890	3200	1418	0	0	4578	0	0	0	1332	0	0	1138	1992	0	2470	9048	0	2632	11948	3201	3450	2613	2836	0	0	2532	2563	23122	11615	0	4440	4133	5276	11488	11169	2301	1030	0	0	1772	7427	0	1107	13699	Phytochemical	0.55	0.8	0.1
16	C20 H16 O11 N2	461.08267	461.08337	0.1327235	461.08273	4986	7120	4470	4443	7219	2453	0	0	11761	8382	4373	1566	20060	2722	1478	0	1816	5357	6833	5527	13156	25132	2079	0	0	0	1343	0	0	0	1859	0	0	0	10848	0	1709	1061	0	6330	10690	2821	0	0	0	8874	26789	0	1576	0	4745	2910	4232	0	13319	8726	4246	0	1265	0	0	11170	20106	10185	2957	9818	4513	0	0	2555	3187	0	0	0	0	0	0	1977	0	12539	3182	11793	0	3291	15263	2796	3417	3608	1751	0	0	0	0	25564	16092	0	3729	5620	4951	8730	11468	2345	2493	0	16602	0	5665	0	2067	16536	Phytochemical	0.55	0.8	0.1
10	C12 H25 O13 N2 S1 Na1	461.10477	461.10513	-0.40407556	461.10458	26872	29101	28318	25379	31606	15497	7658	7411	31346	76721	58575	9999	38600	10794	10444	13611	13426	31039	31599	46876	59273	41427	16800	18801	5548	23874	14298	20780	9926	8552	9789	9279	10669	9861	102661	6583	15257	12962	15782	29705	50337	11874	553	0	0	27660	69594	0	13899	9679	24421	26042	17618	0	29723	27902	13802	14359	12550	18441	15269	21663	44524	27357	11976	31906	14167	18151	47059	38800	52952	11129	9150	5701	20863	10797	0	9048	24878	22938	19986	37270	10164	12708	39252	16592	22291	14427	13645	14501	7214	13551	13976	47591	55091	0	30426	21498	34240	36495	34360	15626	13069	9020	40610	15008	27785	0	10366	38211	Organosulfur	1.0833334	2.0833333	0.16666667
14	C22 H20 O11	461.10785	461.10852	0.04524506	461.10785	100817	110758	88151	94482	102390	72391	34262	37364	123555	280147	169147	39861	159834	56393	43677	51462	22716	126519	115373	179764	179540	228901	54179	41001	25961	82930	37684	122012	20498	29030	33820	45851	45854	26316	365678	29949	47230	50854	38729	123802	135544	37712	0	0	241	167756	306550	533	47764	32654	103312	91022	73713	0	118365	88565	48717	57705	62355	41340	56015	99532	179482	120276	52621	126693	58290	33406	142089	130420	162599	32331	31055	23322	27349	27581	0	30971	80228	126292	67707	173651	26752	68623	112976	69093	65809	51133	47471	59427	41489	61710	54976	199412	188541	512	118821	89155	106525	115317	108149	38354	35512	48818	247670	36643	88730	0	38982	150879	Phytochemical	0.5	0.90909094	0.0
28	C22 H20 O11	461.10785	461.1084	0.07717521	461.10788	6972	7860	8850	7956	12335	8353	2525	2451	14053	24032	5970	2586	22590	7442	4634	3808	0	20201	17000	11476	14067	13951	6419	4155	3121	6293	2125	2429	0	0	1789	0	2489	1772	19162	0	3532	3556	2054	6428	4711	3585	0	0	0	11401	11791	0	1733	0	8465	6704	8099	0	17037	13471	5359	2250	3734	0	1991	5081	24116	10417	4703	17026	4871	2024	8563	15282	10023	1382	1298	0	0	1768	0	1703	9654	9659	8650	8787	1853	4086	17871	8849	6208	4505	3902	1995	3975	5383	3284	10795	19766	0	9953	8301	9136	11764	13690	2894	2389	2969	11369	2647	9730	0	2925	20282	Phytochemical	0.5	0.90909094	0.0
8	C22 H20 O11	461.10785	461.10864	0.101394795	461.10788	10421	10104	7362	5385	8228	4210	2111	4737	11223	22603	18953	3491	13483	3757	3710	6009	5024	7943	10557	11700	21251	11979	4587	3701	1764	7195	2940	4898	2524	3145	1950	3789	3897	2628	30470	1069	3758	4441	5457	7085	15776	2940	0	0	0	9417	19085	0	3155	2053	7162	8318	6111	0	9349	8780	4352	4184	2160	5645	4649	7470	18165	11578	6334	10453	3152	6440	12826	10848	21843	2558	3118	1474	2725	3415	0	2631	9682	9467	7053	8707	2224	4964	12568	4817	6548	5418	4544	4065	0	0	6103	14551	11221	0	9913	8389	15435	15779	11116	4259	2985	2824	6717	3969	11041	0	2876	11392	Phytochemical	0.5	0.90909094	0.0
18	C22 H20 O11	461.10785	461.10846	0.04850268	461.10785	129761	118150	110564	106524	154262	93727	29779	42116	155056	328397	137570	26757	254044	81222	52240	39436	20488	193923	174937	207616	200481	236794	66825	54967	39973	92033	26439	83542	34646	20164	31973	29563	54791	30779	382710	26895	58725	50846	23699	140463	92436	45700	4567	476	429	202254	209528	705	35915	25133	114023	114748	97625	814	188254	135275	70093	49343	47489	24315	47744	100098	260770	141269	59835	172166	74281	23877	101818	136524	128631	30300	22159	17156	20869	30105	672	36928	90587	129366	74279	192540	34683	77551	163943	86869	82755	50127	64552	30262	70659	87743	59378	185408	229606	791	117997	94688	135871	136839	124891	43529	29809	48996	154724	40147	109920	646	35166	234407	Phytochemical	0.5	0.90909094	0.0
16	C22 H20 O11	461.10785	461.1085	0.047773637	461.10785	136617	140727	127761	129683	152673	102257	32455	47715	177135	383520	184140	30781	272323	81885	70871	70848	36470	184404	201030	248125	254528	267351	78152	58704	43190	116917	35265	108006	39414	29395	48229	47957	80670	38402	481502	31390	60845	52668	24029	198520	172077	50368	2993	604	366	220610	278819	827	44095	39280	144971	131796	108963	482	176951	142134	67533	66959	57547	42151	61668	138002	267650	152263	60233	178169	79866	45473	112578	187737	213525	43421	41199	21474	32683	36798	473	39577	100198	176712	81904	212846	44486	94928	154662	84839	92822	59780	67425	48138	70488	98866	60905	259982	315290	614	125545	140225	152543	148570	135477	55573	32986	53245	183047	59273	112853	538	51858	252317	Phytochemical	0.5	0.90909094	0.0
22	C22 H20 O11	461.10785	461.10843	0.008976617	461.10785	35505	34463	32895	36096	59773	36307	7845	8797	68985	90574	28365	9296	86373	26317	14039	11009	3908	71665	53384	53907	52360	78270	21890	13005	12035	25230	6678	17023	3690	5265	6970	0	14063	5720	108372	4717	15000	12310	5949	41336	25488	11377	0	0	464	60872	69397	0	5707	6225	27129	32730	37597	607	74650	49469	24154	13633	12528	7619	10779	34319	97465	54254	20251	66705	21166	5622	29398	43251	45623	4403	5384	2145	3591	3751	743	10320	33244	34413	26448	56145	10794	24672	71729	33809	26167	13529	15063	10470	14319	24112	15474	61924	84859	0	34893	30038	51197	66897	47796	15134	6323	8587	53075	11237	49320	0	11695	97967	Phytochemical	0.5	0.90909094	0.0
26	C22 H20 O11	461.10785	461.10837	0.09501193	461.10788	8859	8928	9566	8972	18666	9556	0	0	23395	27433	5728	0	44479	7119	0	0	0	26128	21649	16900	17800	23289	0	0	0	6339	2101	4840	0	0	2393	0	3546	0	30862	0	3631	4255	0	9649	8465	0	0	0	0	14305	22957	0	0	0	11400	8485	12875	0	29281	18715	4925	1819	3336	0	0	5991	35657	24198	7426	20844	4995	0	9142	17933	12580	0	0	0	0	3394	0	0	12512	12202	12159	15610	2983	3582	25619	13839	8391	3836	5216	2794	4280	4800	0	16534	26518	0	10350	11459	15215	17663	17044	0	0	0	13634	0	15584	0	0	34265	Phytochemical	0.5	0.90909094	0.0
24	C22 H20 O11	461.10785	461.10843	0.08241384	461.10788	17817	16667	23804	14645	33081	18452	3628	2936	30981	41140	11295	5343	64711	21360	7544	5048	0	40182	36281	25475	30835	33306	10465	4841	6257	15427	1305	8914	2547	2547	2294	1985	3212	1849	61118	1445	4339	5502	1655	20438	13902	3843	0	0	0	22010	32902	0	2033	2104	19669	17273	19769	0	43817	34419	12952	3133	6130	2085	3716	14755	55362	34696	55275	38449	7552	3022	9336	23203	22513	2874	2594	0	1686	0	0	2927	19913	22588	16132	23489	3825	11918	40577	19505	11865	4478	7422	2329	8157	8944	6981	35200	54039	0	16658	12727	26444	33324	30222	3281	3651	4119	21632	4119	25456	0	3456	55047	Phytochemical	0.5	0.90909094	0.0
20	C22 H20 O11	461.10785	461.10843	0.028058616	461.10785	79604	67469	74921	61525	110783	73709	16836	19356	122900	197232	72880	19643	188283	54388	33336	26275	10002	140799	125249	121624	120666	153137	44659	24953	26301	54332	16476	43492	19783	12573	13056	17040	34347	21559	218166	12520	30540	27354	13700	89783	60472	28980	3385	0	667	118081	136167	1168	18365	11330	66758	67683	68302	734	128226	92821	38410	26646	28743	17787	30765	77997	184008	112835	37078	123232	41658	13185	63508	105801	83533	16079	14005	5616	12583	14292	400	20447	64347	86939	46395	104395	19453	47503	120430	66071	43620	32614	38304	27942	35579	51206	34487	136523	134630	597	71102	58423	98147	102846	106026	24800	18508	27873	115531	31631	80023	789	29647	182577	Phytochemical	0.5	0.90909094	0.0
6	C21 H20 O10 N2	461.11908	461.11987	0.08873766	461.1191	4461	4951	3593	3503	4584	1501	915	1539	6343	12878	9092	1308	9946	1258	1407	2473	1759	5120	7548	6487	13759	9402	2283	1674	0	1859	1131	4821	1657	1900	2456	1387	2118	1208	17592	988	1710	1327	3442	5289	13020	1615	0	0	0	7397	20267	0	2512	1898	5414	6102	3177	0	8776	5949	2849	2585	1625	2002	1869	4334	13508	6789	2190	7160	2690	0	4283	4388	10130	1199	853	0	0	1046	0	1183	2001	3113	1958	5629	832	2433	6343	2705	3498	2265	2413	4753	0	2418	4331	12031	9426	0	5265	3668	4092	7557	6495	3276	1801	4604	0	2809	5383	0	819	10507	Phytochemical	0.47619048	0.95238096	0.0952381
16	C21 H20 O10 N2	461.11908	461.11975	0.07382591	461.1191	30310	37509	29997	35268	34719	21057	11366	13010	36776	75896	46298	7850	58251	11646	12128	18951	13720	36791	47765	61247	76863	91746	22026	21939	11719	20398	11487	20882	12722	6770	14130	15729	20093	12288	128497	7580	22634	11826	12654	74358	73999	14687	0	0	0	71931	94138	0	17371	10719	39609	34572	25706	0	41998	27949	16393	14917	15270	10071	18810	54019	67336	40578	14115	44618	18081	13045	27532	43730	49633	15142	9046	5493	15568	8695	0	10228	26117	67078	21483	66416	9931	34401	37507	20920	23991	17468	21151	25596	25534	31052	47872	72296	89127	0	38058	29308	25456	32100	36411	18416	8438	15331	63335	22596	25718	0	16694	65231	Phytochemical	0.47619048	0.95238096	0.0952381
14	C21 H20 O10 N2	461.11908	461.11975	0.039964307	461.11908	42820	49501	35178	37343	36172	25247	13141	17733	41960	98702	43667	15932	70881	19138	12110	20189	20861	48490	39708	60178	95112	118505	23727	23637	13161	24554	13329	35677	15691	11935	11792	15732	20625	16166	142412	9107	24880	16591	21545	79245	98878	19833	0	0	0	87152	140269	0	17582	16793	35683	41340	27390	0	59772	36294	16064	23835	31085	18338	0	71526	75692	46124	12738	47478	28235	20540	37552	51070	67034	11587	12305	8034	16920	12648	0	13486	30268	61033	23545	67411	17031	36741	42648	19284	33066	24951	23408	47716	26955	39122	46558	96644	90843	0	44684	45349	26848	39011	43266	25283	12653	25709	93636	22951	34498	0	13562	63670	Phytochemical	0.47619048	0.95238096	0.0952381
20	C21 H20 O10 N2	461.11908	461.11966	0.058692094	461.1191	51475	49595	33548	40040	36341	24256	8946	17579	52941	107327	75752	9944	64113	25655	17348	18917	10778	44634	46659	46059	87418	82890	28964	20476	13308	133426	11573	70848	15583	0	8482	9974	19802	10472	156877	12284	17346	21870	14963	82860	66968	20812	938	0	0	100212	114445	0	13657	6102	36780	37623	24266	0	48148	37076	25347	20845	16713	10790	19126	54567	71473	50053	10388	53107	24232	15239	106596	110069	170225	8823	5856	5401	5282	1793	0	12430	39161	78829	27546	60112	13553	16918	42711	29525	36592	24007	19253	34300	37782	41376	29758	112856	111105	0	55745	43329	23234	36955	46944	16458	10341	21162	73553	22935	37677	0	23620	69911	Phytochemical	0.47619048	0.95238096	0.0952381
22	C21 H20 O10 N2	461.11908	461.1196	-0.06915094	461.11905	10280	30336	20996	22316	27180	28052	0	14312	24264	45284	20928	12360	35636	0	11464	13052	11104	27608	19728	22904	41712	65972	25816	20412	8036	15208	6360	6784	8284	0	8944	0	14928	8940	37968	7376	15496	7392	0	42132	26852	49792	0	0	0	50848	91280	0	9656	5572	20776	14332	18892	1260	19600	17100	12284	11068	17148	7932	12589	32976	35940	29116	12780	33220	15268	9068	14548	8992	9436	5892	5224	0	5192	0	0	24284	26464	40036	15420	52164	5132	18304	23156	11520	20472	8480	27056	14164	19732	20472	25804	69556	69668	0	10824	19228	15672	20924	17848	35376	15320	9408	53200	22288	23444	0	14964	51100	Phytochemical	0.47619048	0.95238096	0.0952381
8	C21 H20 O10 N2	461.11908	461.11984	0.054644097	461.1191	13896	17106	10618	15070	12599	6485	2717	4618	16059	33551	24584	5929	26710	5174	4608	7135	5932	14236	16276	23321	35754	35128	5604	8477	3123	5331	3526	5768	3964	4058	4074	4052	7250	4310	52057	4257	6438	5123	9725	22741	41768	4297	0	0	0	34961	67976	0	8058	3719	15905	13214	7525	0	19859	14233	6869	7027	6299	11599	7030	21442	35794	20476	5379	20746	8690	9105	13761	10621	30390	4532	4456	2464	0	3272	0	4665	8514	19621	5401	24184	2254	7121	18648	5780	7448	7220	5297	11818	0	8643	11382	29435	28842	0	15244	14941	10930	18136	12628	7381	4548	6409	26838	6798	9662	0	3677	25078	Phytochemical	0.47619048	0.95238096	0.0952381
18	C21 H20 O10 N2	461.11908	461.11966	0.04581527	461.11908	20096	21034	21498	21761	22174	16521	9451	5039	23975	54533	20474	8217	51442	9624	6804	13312	9341	29993	28958	36378	44407	63145	12036	10160	11416	12143	6552	11721	9364	3496	4946	8240	12608	9218	57757	7577	14553	10818	9237	48182	37971	11234	511	0	0	45263	59282	383	9619	8126	21099	23731	16572	0	35281	22798	12487	9879	11207	7873	11218	32792	37703	24389	8232	28156	12516	7229	15588	19802	22696	5555	3403	2020	6607	5200	0	6926	19940	41693	12416	47326	7344	18795	26979	13065	21293	10172	11388	12324	14786	23668	31766	52610	57763	0	19547	17555	20627	21800	22231	14241	3957	11181	42122	14605	20963	0	13809	42841	Phytochemical	0.47619048	0.95238096	0.0952381
24	C23 H24 O10	461.14423	461.14478	0.021855308	461.14423	44982	34310	38378	40712	55784	35631	10073	18819	55847	114759	39558	13251	96160	30606	23437	18994	8666	64549	57355	78193	75346	53702	27607	19996	16462	61500	8770	27245	14943	9524	15884	11818	17971	14843	123945	9212	23167	16648	10847	51474	44946	14621	1896	0	0	55014	55584	0	13381	13369	35732	34434	32557	0	62717	57843	20565	16396	16806	9242	22896	39064	87525	49901	22083	69675	25997	10127	57669	98958	91263	13893	10795	11445	8146	12961	0	12930	42330	31006	33255	36648	11524	34707	67373	27790	31556	13611	18593	10801	19562	18998	28114	41485	67608	0	40446	36884	45324	55628	51486	15512	12887	17907	45752	18448	47511	0	14891	95447	Phytochemical	0.4347826	1.0434783	0.0
10	C23 H24 O10	461.14423	461.1449	0.018336851	461.14423	39911	35750	38448	39144	24415	17261	24802	37064	26692	82308	59603	26613	25089	12603	24272	39713	27619	25184	29133	137954	77374	45598	26936	36572	17552	55066	26665	27859	25146	21411	27691	28742	31336	22884	165650	27760	32210	24224	34466	48780	52561	12343	939	0	0	46002	70645	0	28514	29896	40714	39341	17696	0	29567	22542	14614	32108	28360	33695	34574	34788	29730	23183	14113	25580	15538	35351	63588	58874	160482	30919	30258	30290	24465	34486	0	22070	33512	27041	32496	40405	24035	30950	27946	16642	30755	13288	14171	33442	22086	25317	36828	34528	86328	0	37328	40911	29086	25987	23124	31304	22624	33649	41038	26125	18766	0	21858	30795	Phytochemical	0.4347826	1.0434783	0.0
26	C23 H24 O10	461.14423	461.14478	0.02771077	461.14423	18403	16695	20154	17106	26014	16173	2289	0	32474	55564	13511	4152	63552	12179	8781	7774	0	39028	34104	36045	46818	28639	15502	10697	8051	31399	2035	12308	6010	0	7228	0	8573	5885	62123	0	9768	5333	5720	23317	17697	7483	0	0	0	22136	30733	0	7019	6046	19565	18569	17331	0	38929	23698	12496	8818	6151	4760	9930	12992	48849	27544	10140	31279	8567	3832	31217	57182	49895	7376	4484	0	0	4684	0	5591	19119	15009	16499	20952	6401	16367	36143	15002	12494	7826	7665	5141	9475	10496	10867	19113	40879	0	17893	14993	17320	33061	31229	0	4647	6048	16683	5037	23346	0	5138	49307	Phytochemical	0.4347826	1.0434783	0.0
28	C23 H24 O10	461.14423	461.1448	0.049960624	461.14426	10984	8702	10137	7382	17119	9578	3669	5792	16748	33670	7307	3719	30760	8538	6404	5657	0	19466	17370	23582	20443	16393	8247	7075	4310	15684	2905	7941	2903	5385	4571	2707	4741	2848	31775	2610	6865	5088	4199	12299	11178	3517	0	0	0	15736	14626	0	4024	4676	9877	10042	8433	0	17648	13812	4688	6223	3430	2189	5059	7598	23909	12155	4415	19360	5758	3902	15248	34127	26006	4367	3383	0	0	3419	0	2926	10621	8292	7694	10164	4010	9060	19519	8926	8338	4684	3842	4500	4685	8945	6375	11570	17436	0	9197	9212	10311	13519	18574	3724	3516	6831	8855	4763	10198	0	3641	24041	Phytochemical	0.4347826	1.0434783	0.0
8	C23 H24 O10	461.14423	461.14502	0.08453887	461.14426	11997	13664	9656	11352	7031	5919	8863	8419	8253	28129	13152	9962	7633	4199	7426	13195	8423	5602	9118	36180	35894	12542	7499	11119	4260	10332	6099	8530	11856	8504	9156	8113	9337	6930	55294	8080	9164	7225	13789	15268	34676	4901	0	0	0	14053	23645	0	10451	10871	12492	13284	5891	0	9500	8707	5463	9409	7605	12024	10043	9723	7444	6682	5767	7937	5790	10500	19693	18788	27800	7251	11081	10527	7685	9394	0	6881	13652	9310	9875	11098	9312	8880	9049	4885	9062	2916	7266	13932	0	9058	9358	10530	10624	0	12543	11212	8296	6715	7317	8487	8517	11117	10906	8911	7114	0	8251	8658	Phytochemical	0.4347826	1.0434783	0.0
14	C23 H24 O10	461.14423	461.1449	0.039801333	461.14426	202498	235337	237375	222845	176100	120447	132330	166460	219499	1067974	324193	122535	219846	110278	137319	157838	122551	226332	203341	844632	782732	288970	172400	168482	116113	338597	109194	247039	134600	136861	131967	180774	174317	142026	1227801	131660	155834	113134	147770	566316	345674	95439	4162	663	340	606796	384068	766	195177	158235	220484	217251	129601	577	193286	122590	103263	177876	171225	139879	153067	453809	233858	157949	108562	176150	127614	134644	347144	835978	450111	167168	142631	158360	134002	156664	0	129656	190692	199527	157122	513200	146009	438773	170795	93326	192246	105209	121527	145295	166746	163515	223719	275810	500032	1288	234775	203443	165674	147839	147326	174380	121496	189840	341569	147763	138536	500	125297	206399	Phytochemical	0.4347826	1.0434783	0.0
10	C22 H24 O9 N2	461.15546	461.15616	-0.009983837	461.15546	77748	74729	67662	61302	41873	30946	41491	63657	48681	173677	85327	37023	64596	26557	41494	54474	43916	52533	61540	140939	159144	120535	47221	67050	34805	66559	41798	61278	49140	49306	42789	63086	66202	49826	202964	43451	66100	34833	53572	141982	126433	35762	628	0	0	116754	119747	0	62123	48245	75966	74233	37649	0	58733	38910	25288	60760	49444	56661	63425	81338	66975	47532	22983	48781	37990	61305	80431	110265	121471	50587	43096	42044	45092	43483	0	30490	52697	73703	39457	74995	37012	70090	43134	29497	50912	35607	32652	80527	55686	90126	83668	87121	120450	0	74984	74190	39781	47998	43280	51961	34636	76364	86888	58977	38214	0	41217	70936	Phytochemical	0.4090909	1.0909091	0.09090909
6	C22 H24 O9 N2	461.15546	461.15625	0.00602832	461.15546	21597	18739	18050	19579	14249	9203	9572	14158	16661	43437	23153	7960	25494	6626	9476	13919	11875	14009	17352	30512	49660	36071	12225	18981	5804	11308	5945	19724	10331	11354	12637	11550	16076	10255	54881	12679	13750	7915	15190	30665	39989	7581	0	0	0	29477	42200	0	14890	10235	18175	18268	9782	0	19603	13975	6818	15057	8794	14179	14221	26116	25289	16228	6304	16099	11520	17029	20193	19448	34302	11017	12023	9971	4574	9820	0	9380	13631	16329	9836	16489	9822	15913	13713	5970	11794	8863	9951	23310	11791	17538	25446	25700	34353	0	17587	16746	8743	15860	14968	14050	8165	15918	15926	13847	9611	0	7189	23395	Phytochemical	0.4090909	1.0909091	0.09090909
12	C22 H24 O9 N2	461.15546	461.15613	-0.011862819	461.15546	90965	89586	87158	79868	55534	39749	59490	89278	60567	193568	112775	49433	75361	27975	55811	72112	72876	66808	86131	183030	182088	181776	65603	98659	51166	82385	49174	72248	65518	48212	65710	64013	91218	67155	259034	63622	79321	58097	83108	174329	181354	41391	1010	0	0	167528	159786	0	66960	58021	99904	91363	49698	0	82468	48098	33070	81385	75093	77744	72580	137333	96505	61584	26764	68239	42128	74295	105267	161976	150492	62221	60641	51507	45462	52623	0	50894	70034	94165	59026	100466	58393	93356	56937	36280	69365	42051	45995	124981	75418	102704	108081	128912	120510	0	87446	97753	54738	49242	53040	75527	44742	78951	101212	78349	42952	0	56970	88658	Phytochemical	0.4090909	1.0909091	0.09090909
20	C22 H24 O9 N2	461.15546	461.15604	0.025650362	461.15546	22041	26764	21422	19642	15887	20711	11295	16124	22068	56225	21351	10342	22160	11279	17186	14546	10331	29649	25866	37664	39761	37064	12928	23416	16000	12581	11223	21122	12734	10335	13810	13180	23319	14905	64440	14013	23769	12382	12605	39779	30186	16802	868	0	0	36210	28264	0	22207	10529	19146	22391	17866	0	28795	12490	12153	19472	15095	9536	17602	33226	29930	18524	9456	19959	13077	13358	15636	20728	21277	11934	10401	4962	9028	9861	0	9675	21340	23058	15935	22155	13410	18195	16911	11541	21672	16063	16046	21999	28943	29526	42975	30844	35011	0	25022	24847	13814	16715	15036	16453	10242	23864	20380	19230	15382	0	19487	34474	Phytochemical	0.4090909	1.0909091	0.09090909
8	C22 H24 O9 N2	461.15546	461.1562	-0.028307492	461.15546	42940	46122	36028	44575	27170	14132	19590	34437	34810	102908	49862	20267	48529	12761	22436	37519	32557	32118	44244	77400	99782	79516	25919	41705	15146	25802	19854	37260	30093	26990	24866	31995	35502	23295	129671	25245	32837	20656	37821	80519	93143	15247	0	0	0	78792	95316	0	33431	29277	44590	43463	22358	0	39732	25004	16825	35405	22466	34529	32360	55880	48726	34094	15292	39767	23250	40125	45923	57278	81337	29661	28526	21593	20698	25764	0	18465	33457	42003	25108	39959	22637	48082	28510	14885	35494	23433	23609	54980	24724	42888	51916	63410	82953	0	45009	39341	19837	33987	29549	32145	18970	46055	40533	30740	21220	0	21954	44296	Phytochemical	0.4090909	1.0909091	0.09090909
24	C27 H24 O7	461.1595	461.15997	0.00624994	461.1595	8563	6374	7917	8672	8743	3994	2133	3013	10135	18338	28208	1502	8168	6195	0	3824	3449	5525	9822	15647	13313	5237	3440	4938	2658	67467	3232	26427	0	2083	2003	2582	3519	1800	19774	2218	2722	1314	3927	14230	23038	3307	0	0	0	11561	17994	0	3662	2946	9122	9111	7040	0	7809	8121	5275	2703	3872	3927	3288	11842	10114	5756	3868	8440	5649	4518	61854	39313	72951	1236	0	0	0	1404	0	2231	7270	12816	6134	8745	5060	17409	15869	7115	7254	3763	5495	7183	2552	3863	5329	13462	9675	0	6782	5689	9410	10625	11894	1444	2471	3994	9894	4010	12207	0	2277	6867	Phytochemical	0.25925925	0.8888889	0.0
22	C27 H24 O7	461.1595	461.16003	-0.031170333	461.15945	12014	10772	7792	11543	7743	3449	3121	4253	9506	27004	36461	2449	9121	8024	5222	4585	2018	8025	12224	19283	18631	11153	4690	8263	3598	82685	3945	34009	3186	3972	2291	0	4369	3576	25839	2831	5485	4564	2881	18442	26476	3364	0	0	0	9689	19722	0	3830	3125	7420	12805	7810	0	9739	8236	7493	6907	5045	6252	4787	17004	8474	6403	4738	13192	8758	2528	74908	65838	99613	2319	0	1883	2147	3472	0	3313	9441	11949	5505	11257	3349	19742	15709	8092	10640	6530	5669	8364	3665	7846	8475	14469	8276	0	12558	11506	11468	9659	12405	6398	2037	6667	7402	3849	8977	0	7437	7360	Phytochemical	0.25925925	0.8888889	0.0
26	C27 H24 O7	461.1595	461.15997	-0.013817768	461.1595	3086	2971	3376	2400	4753	0	0	0	4648	5959	11479	0	0	0	0	0	0	0	4839	8222	6431	3828	0	0	0	24138	0	10476	0	0	0	0	0	0	7204	0	0	0	0	4062	11380	0	0	0	0	0	0	0	0	0	3239	4892	2759	0	0	0	0	0	0	0	0	4624	3639	2886	0	3828	0	2464	26550	19571	34505	0	0	0	0	0	0	0	0	0	0	3836	0	7517	0	0	3734	0	0	0	0	0	0	4772	0	0	2822	0	3662	3526	0	0	0	0	0	0	6607	0	2349	5614	Phytochemical	0.25925925	0.8888889	0.0
20	C27 H24 O7	461.1595	461.16006	-0.036226723	461.15945	5351	6786	7756	8873	5901	3013	3722	3137	7363	9201	18957	4210	5644	4578	3004	3878	3770	7750	5311	10768	12339	4703	3300	7464	3153	46547	3042	14122	3943	2419	1928	3102	5130	0	19092	2414	3891	3907	6169	11421	15405	3119	0	0	0	4467	8079	0	6251	1788	9487	7467	4765	0	2084	4436	3764	5871	3548	4165	4147	6667	4393	3347	3937	7091	6117	3246	43668	43324	69769	0	0	1628	2614	2657	0	1797	7320	7216	3303	5646	3468	10925	6003	4178	8671	3243	2766	6236	5400	6809	4467	6576	9223	0	8601	9583	9767	6073	5684	4718	1719	4598	4712	4820	8371	0	5135	3537	Phytochemical	0.25925925	0.8888889	0.0
22	C24 H28 O7 S1	461.16284	461.1638	0.30190668	461.163	22089	22909	19653	25970	15632	12123	3254	4632	15827	68515	108892	3504	18548	5909	5882	6548	9104	20266	33314	59341	65767	40011	5662	8202	16600	83012	3919	46856	5762	4769	3954	7460	8641	5558	68796	3582	8878	4229	4219	65532	59556	6024	0	0	0	26814	26566	0	6184	4008	17686	39106	13361	0	14008	9888	7580	8695	14708	28390	17860	47988	10998	12003	5765	18628	21522	8615	150436	219348	193436	4554	2537	3313	2722	2740	0	3873	6676	34895	5161	22434	17572	49044	12051	8569	14998	11217	10291	12555	38043	42280	30240	47363	60567	0	33462	20530	29194	10742	8395	18518	3649	37156	22902	14166	13589	0	8132	19169	Organosulfur	0.29166666	1.1666666	0.0
24	C24 H28 O9	461.1806	461.18115	0.008681559	461.1806	114210	102474	106430	101739	124036	92126	36240	75647	134959	262276	107140	43830	201242	73770	80208	80459	44503	156067	156494	230153	214000	114471	92719	92228	62551	197660	37373	101579	63928	54901	57494	61969	76076	62870	275754	63858	101085	58953	47307	145356	102149	52963	4130	0	0	124749	105715	0	73283	61633	108613	112937	84783	0	148959	122157	58302	78469	66059	32488	77613	99166	176592	116555	44917	126047	70973	46111	162691	311283	265266	71763	55797	59031	42848	55176	0	56864	118623	46419	89015	85279	48370	96470	136913	75302	88616	50988	64974	53070	81992	80345	95381	71638	123839	2744	99855	107391	92920	116031	110580	62889	44896	78459	77307	69267	93372	0	55880	185953	Phytochemical	0.375	1.1666666	0.0
28	C24 H28 O9	461.1806	461.18115	-0.05448631	461.18057	19519	17310	18075	17923	18611	14279	7156	13059	21129	41867	11951	7108	45231	10724	10247	15975	8049	26936	27369	38659	40615	17663	16470	17456	10420	34472	7037	18420	11746	11370	12024	9410	13863	9580	45223	13173	12779	8726	10125	18332	16151	10306	1311	0	0	17969	19281	0	12774	11191	19599	20604	14518	0	26946	24133	11644	17149	7681	5985	14988	11016	32546	25611	8484	27312	15279	9310	35859	60727	58346	11052	9187	8822	5229	7532	0	8711	20291	12996	12502	9812	9951	18123	26136	11429	20327	9069	10357	9768	15656	19196	17354	13418	20103	0	18899	17565	14381	24635	21999	12831	7383	16468	9007	10785	15800	0	7324	29326	Phytochemical	0.375	1.1666666	0.0
26	C24 H28 O9	461.1806	461.18118	-0.042926785	461.1806	45687	41777	42573	37909	45839	31514	13456	29547	54197	99025	37812	14861	93209	34613	27001	27727	18964	62634	59183	93003	85077	41546	33337	43463	17528	73248	15068	39220	21307	20693	22927	24024	31138	22406	105905	18477	33342	22867	21014	58499	40717	20308	0	0	0	43151	45093	0	26775	22501	49033	43515	32069	0	64911	49040	21937	30912	19186	12139	38772	35313	72025	46097	17490	57269	27853	17253	86555	118405	118676	26534	23222	21113	15520	21524	0	18669	46329	26299	37015	27266	17078	33070	64666	29034	32949	22064	24298	20658	33471	30110	39600	25829	55430	0	41203	42255	35478	47124	50409	24035	18168	24431	21786	24993	39231	0	17745	72882	Phytochemical	0.375	1.1666666	0.0
8	C24 H28 O9	461.1806	461.18134	-0.013122561	461.1806	7751	8560	7317	8916	2008	1992	6229	7191	2956	15792	6294	5284	2108	2526	6475	6468	6413	3816	2675	22608	19994	4819	5614	9861	3710	13808	6752	2808	6531	7602	6166	9316	6919	6466	17980	6194	8385	5680	12431	7017	9168	3328	496	294	0	7566	6311	0	10587	8021	6473	7273	3601	0	4884	3074	2517	9126	7658	9511	12846	4460	1385	3158	2231	2486	2447	9280	6032	5164	8553	5850	8090	8372	5718	9300	294	4542	9745	4900	5785	6524	7338	6632	3334	0	5815	2830	4450	8813	0	0	7637	4588	7140	592	5783	8405	2325	3837	3684	7698	5491	9325	0	5908	3306	0	7984	2228	Phytochemical	0.375	1.1666666	0.0
8	C23 H28 O8 N2	461.19183	461.19257	-0.03612809	461.19183	42615	40274	29014	41550	18066	15519	21405	33605	23958	63638	39100	20201	26648	12281	24796	36364	23286	21311	32797	77686	73196	63626	27437	47588	23124	27262	19612	30869	32008	28778	24995	31189	34198	27204	85357	24532	36936	22199	33835	64890	54204	22728	0	0	0	47524	58366	0	39173	32817	38138	42023	19004	0	32464	16043	12658	39786	15446	25076	38773	38195	26412	23749	13972	25701	20013	37037	23763	59619	47037	31927	26284	27091	20749	23380	0	23000	30024	39043	24258	19595	19275	43068	14536	13613	28669	19022	19394	55740	43681	56351	63437	38008	67042	0	44997	41029	16830	18028	18652	34106	20081	49537	23419	35185	14576	0	23583	24965	Phytochemical	0.3478261	1.2173913	0.08695652
22	C23 H28 O8 N2	461.19183	461.19244	0.08722288	461.1919	11213	6677	8513	5192	9178	7278	7044	7549	8717	7560	6382	5646	8468	0	9331	7262	5961	8780	5722	12413	16225	15858	9487	10867	9871	4401	6263	9228	5398	10157	6458	8956	14039	10360	12307	6786	15192	9683	6158	12263	8570	6057	0	0	0	11816	7141	0	10265	5857	11882	8268	9210	0	8047	7638	6474	8538	9298	5134	11484	8419	6365	5200	3371	6990	10513	4518	6460	5910	5999	7739	5203	4833	2939	4137	0	5685	7528	6021	6992	7190	8177	5594	5342	3871	10895	6016	7337	9791	19638	21410	16524	6825	9902	0	6355	10619	3638	4800	2043	11640	5070	11890	6711	11669	6281	0	8531	6849	Phytochemical	0.3478261	1.2173913	0.08695652
6	C23 H28 O8 N2	461.19183	461.19263	-0.028042128	461.19183	21001	20003	17805	19156	8504	8882	9716	18717	11591	38856	13456	10731	17966	5016	12717	22595	10241	14214	19023	37673	41366	32898	13641	20740	10853	12477	10234	13908	17258	14706	15246	17022	23299	15369	44824	16220	20360	11162	16654	26903	30781	10498	0	0	0	25368	24919	0	21545	16588	19181	20577	9438	0	17146	9650	7194	24655	8039	11163	21368	18429	12421	13490	6529	16517	10659	19577	12504	31223	28587	14099	14542	13733	9854	12706	0	11260	14790	14570	10126	11025	10670	16290	10092	6972	14375	9502	10474	34789	20501	23803	32798	21666	32109	0	20021	22787	6939	10323	10025	17695	9698	24019	11832	17132	8227	0	12291	15280	Phytochemical	0.3478261	1.2173913	0.08695652
20	C23 H28 O8 N2	461.19183	461.19238	-0.09372404	461.1918	24416	27522	31849	25535	20568	25251	22978	26687	24083	54738	24752	15505	25921	14259	26929	32315	16565	21565	34383	49677	39208	42328	24109	38943	28097	19677	17836	28503	31876	22385	27765	29418	38432	30515	49861	26654	51033	16295	18161	50689	29645	20751	0	0	0	32438	22281	0	31736	18774	24545	28894	18199	0	27087	19730	14223	40699	33330	18927	29120	26211	17636	21912	10469	23437	21907	15364	13999	32208	21046	28338	17248	20636	16629	24833	0	20852	29237	18750	18595	19634	24289	33756	14269	16474	22663	17870	20622	26510	44119	55093	59709	27794	31016	0	30414	32111	11988	12521	12103	36173	16655	33143	18244	40863	15209	0	26390	36198	Phytochemical	0.3478261	1.2173913	0.08695652
10	C23 H28 O8 N2	461.19183	461.1925	-0.056401685	461.1918	64515	57224	49619	53162	25966	24617	31947	54804	29491	96810	52841	29065	35117	15787	35417	47711	34202	34376	38890	105141	97045	88413	35946	67608	40543	45455	33788	45465	52404	46284	45398	55153	63647	40458	121774	42533	64488	33667	47118	103574	77679	26995	0	0	0	75592	62750	0	60415	46067	58185	58772	29280	0	38940	25238	15001	61439	29316	33602	60644	52864	28839	27872	17448	32889	25959	46725	38350	86762	64417	42425	41996	37779	37443	42402	0	29898	45981	47257	33343	34726	31217	43873	26416	19782	39639	27804	28252	54269	72344	65559	84606	57167	92382	0	54760	51929	18514	28038	23499	56784	26906	75682	29686	53858	20108	0	37455	37096	Phytochemical	0.3478261	1.2173913	0.08695652
24	C28 H28 O6	461.19586	461.1964	0.016925067	461.19586	17315	17398	13753	17475	15723	7724	4813	10143	13558	18776	40640	6023	13708	7587	7426	11067	8114	11383	15084	20008	29740	12692	11896	11581	9493	99657	4655	33535	6483	11465	7682	6623	10153	7850	27937	11249	8917	8207	8912	27331	32824	10854	0	0	0	18562	19032	0	7531	11410	17305	16755	12744	0	15361	13483	10488	9845	9960	8463	12332	17740	14348	10685	9180	16254	19420	8974	94604	68081	97279	6855	4892	7149	5564	7676	0	6590	17606	12493	14439	15278	8024	26609	17860	12314	16890	10122	11276	13086	11868	7370	11749	15400	12464	0	14865	17156	13900	14624	20159	12554	5592	12905	14401	7535	14027	0	9551	10509	Phytochemical	0.21428572	1.0	0.0
26	C28 H28 O6	461.19586	461.1963	-0.019066894	461.19586	7672	8299	7781	7401	9544	2911	2146	0	4921	7076	15676	4788	6307	4612	0	0	0	0	9950	11040	8590	3531	0	0	0	55514	2205	16393	0	0	0	0	3978	0	10165	0	4380	3989	4637	13486	15429	0	0	0	0	7466	7768	0	3990	0	6906	7101	6193	0	0	6449	3752	4395	3675	0	6178	8503	7260	7919	3016	9531	6322	3566	51232	30490	49104	0	0	0	0	2705	0	3275	6969	0	4630	7321	3379	12553	10483	0	6523	4634	5045	7210	3784	4035	5187	7507	6959	0	6465	0	7714	15392	13657	0	0	6613	0	3031	7182	0	4579	4247	Phytochemical	0.21428572	1.0	0.0
22	C28 H28 O6	461.19586	461.19644	0.03403194	461.1959	15457	15234	11996	17217	10964	7966	6482	7675	11146	20564	32329	8034	8892	8754	8144	13381	8494	7624	10653	27109	21484	11310	12804	10954	9588	91753	7592	26519	8019	11090	6613	8139	10234	5802	20547	7667	6947	7608	12173	24055	30154	9307	0	0	0	14889	19993	0	8931	11645	14917	12298	10882	0	8301	13231	7614	7546	6581	10963	13784	13247	11273	10016	6106	14953	10725	11350	74314	58440	99274	6481	7501	7057	8291	6097	0	6858	19657	14461	16782	9976	10617	18402	16081	9293	19650	10642	9022	14140	9176	6257	16099	12119	11768	0	12430	14133	14030	12480	11263	13744	6838	11565	10779	11522	11456	0	12933	11385	Phytochemical	0.21428572	1.0	0.0
10	C22 H28 O7 N4	461.20306	461.20364	-0.118587576	461.20303	8105	5872	8918	10139	2639	3304	6886	10081	3213	0	0	6082	3215	2161	7971	9339	8253	3004	4477	7582	5076	9977	5884	12601	9193	0	5103	4809	9811	8396	8645	12691	11454	9425	3883	9838	11906	7980	7936	7577	6600	3289	0	0	0	7832	5754	0	12968	7662	11128	9685	3884	0	3303	1344	2630	11212	5465	4848	0	3536	0	2278	0	2748	3606	9360	0	0	0	6801	7979	10259	8108	6570	0	6845	6829	7687	5879	3797	5535	5237	2245	2674	7805	3714	3974	15014	33231	16960	17195	4912	6478	0	7021	9819	0	1427	2075	8853	5500	11171	0	9300	3564	0	9541	1774	Peptide	0.3181818	1.2727273	0.18181819
12	C22 H28 O7 N4	461.20306	461.2038	0.070282236	461.2031	3993	0	6242	7493	3605	2575	5766	7965	3725	4232	0	3932	2865	0	5269	6016	7284	3189	4881	3399	3242	7972	8629	11211	9968	0	0	0	10224	6651	6529	8100	9239	6197	4689	8325	7231	7260	8734	6658	0	3892	0	0	0	5198	0	0	7714	7802	5716	0	2714	0	3854	0	2785	9150	6584	0	0	0	0	4843	1671	3071	0	12739	0	0	0	7739	9141	8816	5385	7567	0	6352	7612	0	6046	5228	5879	2787	2549	3146	9254	0	4013	10052	22104	14507	13729	0	3054	0	0	6141	0	1935	2390	4592	6050	6768	0	7478	1483	0	5731	0	Peptide	0.3181818	1.2727273	0.18181819
8	C22 H28 O7 N4	461.20306	461.20383	-0.048992958	461.20306	10744	16061	13434	15485	5189	6159	11447	11178	6194	9641	7897	9833	4230	3348	8596	11231	16144	7719	9200	14188	11220	16200	7877	21208	12931	6244	10741	10316	8978	12987	11267	19102	23825	14046	19921	10823	24586	7634	20806	13846	10060	6088	0	0	0	6471	6804	0	22265	12554	13336	13562	3208	0	6030	3085	3646	15289	3931	4805	12669	6734	4085	4305	2880	6191	5148	22230	0	7120	12851	13360	10858	13155	18415	13422	0	7478	11334	18778	8085	5412	5632	11471	3473	4031	10550	6445	7404	22228	47131	21411	17833	7974	15154	0	13208	11375	1301	3073	2723	17190	6818	11307	0	13405	3010	0	11590	4797	Peptide	0.3181818	1.2727273	0.18181819
28	C25 H32 O8	461.21698	461.21753	-0.05389786	461.21698	27505	27495	26472	26623	33204	16763	13110	23610	29652	45313	24900	11637	48020	19999	19774	27361	18163	33255	45800	48253	51570	27143	22800	30374	14649	62234	12127	30370	25106	23072	17775	20958	24274	19965	55224	24420	30157	15607	17735	25840	29649	17161	2266	0	0	18822	19296	0	23911	23884	28345	24230	21795	0	34748	30297	12963	26593	14454	9920	30724	17546	37123	24421	12000	35208	22780	19293	53115	86430	91054	19115	13799	18059	10582	17078	0	15126	31285	15363	23382	12481	16966	21580	27967	15834	28500	14637	18826	23110	26973	28419	32046	11535	25168	0	24264	26379	18819	32735	36122	26783	15642	28008	11423	25057	18198	0	16981	32203	Phytochemical	0.32	1.28	0.0
16	C25 H32 O8	461.21698	461.2176	-0.0341813	461.21698	248459	255169	240683	235503	177911	116243	212409	242259	181407	274557	195396	186522	177155	110978	203176	295408	280870	172436	248082	351327	326587	211120	223470	282145	199439	367567	197557	180970	219312	249645	239515	259540	276533	160932	284280	252275	229446	209909	314086	209513	252169	140488	4597	953	872	191495	231732	1072	261658	246616	255232	245397	151602	1373	209923	161167	129975	287144	195439	216078	264023	154966	216478	179630	115634	173291	149838	288007	293895	415887	464702	183323	205335	242802	264551	251745	554	171595	307674	172748	232660	155830	211506	187577	236021	144732	302852	128142	152316	399209	206988	224391	306310	154872	184456	2130	236066	250382	165265	202752	222670	286707	155472	251316	127435	262559	196028	758	239713	196140	Phytochemical	0.32	1.28	0.0
26	C25 H32 O8	461.21698	461.2176	-0.005261582	461.21698	92974	90535	91581	89617	98676	62147	34542	77556	104680	168784	94259	53829	153502	63698	78608	90302	52764	133599	140254	192628	201135	95127	76405	94131	66097	198401	31033	89948	83811	77964	72495	66700	91082	62207	206379	75411	107549	58562	57789	118650	90890	53783	0	0	0	93073	75635	0	77808	72467	110996	86657	72734	0	131002	105081	50764	84223	61029	37872	95546	69709	127147	93272	37303	103837	69892	54693	184728	297109	258594	74981	67997	69622	52121	72539	0	55016	99177	43904	82295	49136	53007	78827	96547	63567	88667	47879	61479	61888	87466	83404	118718	55193	89456	0	91690	98393	67651	107515	105796	91154	47436	92360	51761	66726	76955	0	60610	116633	Phytochemical	0.32	1.28	0.0
14	C25 H32 O8	461.21698	461.21762	-0.07326337	461.21695	100935	98100	107902	101473	48332	39689	109064	108363	72638	97354	69680	82422	60390	34861	86767	133448	146236	56156	72545	111224	117569	95652	78788	119626	81347	119879	93006	74212	81685	109695	88107	127591	104624	59705	97299	112755	89907	88452	143396	75368	109807	59285	0	395	377	70018	103032	600	102799	106952	109805	97541	51919	312	73067	56928	51992	127505	98443	109346	92605	55208	67298	61405	46311	52783	53387	143243	106231	116365	148321	59173	78942	107732	114159	103625	0	79226	128299	75379	96305	68531	87010	68599	82890	48234	118989	48439	62897	182008	87811	80742	128880	62711	70684	1066	109406	93286	60322	75426	75938	106960	72379	112078	51906	94231	60403	0	92854	47181	Phytochemical	0.32	1.28	0.0
18	C25 H32 O8	461.21698	461.2176	0.003651905	461.217	606443	596443	551120	521674	421953	306680	384971	575506	436653	787682	566277	372628	483531	277590	443287	655791	496810	457800	624695	934495	898172	478497	492140	654489	383740	1084582	408786	519790	546009	485520	490470	564018	593304	481213	779440	555316	547590	445628	569388	573940	589202	326863	11762	1812	1022	442029	402500	1478	583187	508820	571303	572954	371613	2287	574155	429912	310482	611733	393197	408075	549533	359058	526415	441764	252779	463070	369523	599822	832780	1189733	1346457	424039	394961	526037	514876	591649	863	345574	655929	331239	548047	346780	422996	417283	527815	353897	600588	310676	365542	585083	530686	546410	701163	309509	414004	3944	589392	542081	401162	460476	458962	558622	360661	557893	258837	482669	358387	1284	462506	469359	Phytochemical	0.32	1.28	0.0
4	C19 H32 O9 N4	461.2242	461.2251	0.1498926	461.22427	9518	9972	9592	8116	439	9367	0	0	0	4017	11552	483	490	0	514	1430	1632	2132	742	0	0	2273	1277	782	774	0	0	55312	1043	0	938	1212	2334	0	904	1138	1606	991	2490	0	0	806	0	0	0	0	0	0	0	859	8962	7014	727	0	733	0	372	1662	0	0	902	0	652	0	0	594	523	1654	0	0	0	945	1644	323	0	671	0	948	613	245440	621	0	0	0	465	548	778	991	793	1201	911654	312109	1848	40583	14885	0	6878	10273	0	0	447	1781	1073	0	0	682	389	0	624	1461	Peptide	0.47368422	1.6842105	0.21052632
8	C19 H32 O9 N4	461.2242	461.22485	0.15226333	461.22427	13835	19531	14993	14720	0	1532	0	1336	0	12450	17105	0	0	0	1139	1929	0	0	0	0	0	2396	0	1075	1275	0	0	106867	927	0	919	0	1698	1356	0	0	0	595	0	0	0	761	0	0	0	0	0	0	978	0	13588	14633	0	0	0	0	0	1328	0	0	0	0	0	0	0	0	0	1485	0	0	0	0	0	0	0	0	0	635	0	168998	0	0	0	0	0	0	1267	0	0	0	1762451	697688	1433	73330	28620	0	14494	10971	0	0	0	1147	0	0	0	0	0	0	0	0	Peptide	0.47368422	1.6842105	0.21052632
2	C19 H32 O9 N4	461.2242	461.22513	0.05503806	461.22424	2791	2698	2160	3180	1330	0	1344	2142	961	542	6342	1401	1577	1089	1908	444	2290	2774	1577	0	433	1204	1704	1077	546	0	0	42097	3148	1077	2547	2171	3287	2413	626	1788	3798	1014	2071	0	0	0	0	0	0	0	0	0	2856	1300	2270	2110	891	0	2997	794	581	2906	302	0	0	0	1204	1164	0	2384	1262	2486	0	0	0	3677	1768	1727	0	1797	0	1501	2226	210692	1223	0	0	0	1314	1226	1960	2114	1360	4766	58898	29455	4658	26302	777	0	3308	3702	547	858	1190	1631	1971	432	0	2654	1318	0	1316	2327	Peptide	0.47368422	1.6842105	0.21052632
10	C19 H32 O9 N4	461.2242	461.22473	0.041512668	461.2242	4444	4594	4387	5460	0	0	0	0	0	2267	7686	0	0	0	0	0	0	0	0	0	0	2350	0	0	0	0	0	41613	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4672	5857	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	62686	0	0	0	0	0	0	0	0	0	0	605402	195801	0	24140	5620	0	3846	3714	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47368422	1.6842105	0.21052632
14	C24 H32 O7 N2	461.22824	461.22885	-0.06575124	461.2282	21302	18798	22012	24269	6369	7899	10293	25130	5871	23597	18233	14383	4544	6497	15499	23293	18123	7059	11059	39851	33032	33525	14064	22340	19910	22100	13579	14570	23417	24965	19371	22691	22398	19037	27978	23612	24964	12875	25084	33491	25347	11903	0	0	0	17660	15712	0	25803	19956	18653	21661	8170	0	6657	4980	5575	20633	7061	10106	0	14854	6068	7502	6543	6997	11921	27975	0	44454	21657	19549	16661	19782	18273	19522	0	14204	15241	16854	13702	8301	10297	21807	4877	4572	19001	13259	11666	37070	38200	24579	38465	17322	26544	0	21688	20009	4765	8419	7233	23205	13557	21398	0	22777	5089	0	17598	5651	Lipid	0.29166666	1.3333334	0.083333336
20	C24 H32 O7 N2	461.22824	461.2288	-0.1255668	461.22818	17186	17350	18097	19294	9083	10177	12966	22324	9345	21432	6994	10851	7343	10633	15664	29169	16524	14030	16147	23392	12196	20780	16013	30356	20193	11550	13886	17878	26092	20447	20308	24755	24697	21994	17722	21986	35901	16834	17305	34322	16306	12338	553	0	0	22122	11237	0	26873	18428	17778	19726	10478	0	10443	8882	8008	25321	25404	11545	25507	12130	8253	10536	7445	11984	15376	20518	7744	19811	8130	19483	23188	22210	21053	19230	0	16336	19230	12847	13000	9948	19415	17060	4011	8016	21257	12477	15881	27662	36013	45803	57111	16870	19695	0	18410	14559	8074	7084	6847	29859	14008	27102	15304	32096	6789	0	17006	12452	Lipid	0.29166666	1.3333334	0.083333336
22	C24 H32 O7 N2	461.22824	461.22882	0.005654574	461.22824	9149	9737	7741	6930	4136	5978	4951	11874	6351	10638	6906	6041	6164	9457	7492	13076	8565	4770	8066	10193	8996	14349	6543	10971	9636	2655	4206	5959	11393	8870	11279	13009	14557	10074	11376	11431	14775	6281	5890	8201	8048	5735	0	0	0	11252	3193	0	12751	8310	6802	10113	5488	0	4313	2586	3413	12407	7348	5109	12657	4449	2538	3842	3818	3826	5675	6372	3069	7880	4371	10277	11880	9182	7690	7680	0	6977	6736	6277	5093	6766	8912	6120	4499	2938	5233	7279	9456	12591	21709	19124	26924	4061	8033	0	6890	6839	1910	3115	3122	17205	6550	12400	5242	15238	3817	0	7654	4533	Lipid	0.29166666	1.3333334	0.083333336
12	C24 H32 O7 N2	461.22824	461.2289	-0.006096956	461.2282	14366	15608	14388	15437	9149	6419	17768	26041	5876	23449	13368	10617	6144	4472	14750	22374	13329	5435	12585	46220	29632	30208	15517	30491	21770	15382	9850	13012	22797	12239	19361	20192	29541	17395	30336	17520	22821	12884	17046	28616	21060	9586	0	0	0	20450	10254	0	20091	13498	15533	14559	8135	0	8560	4193	6383	24372	5267	0	0	13683	4540	7170	5219	9893	8459	21149	16029	30922	21625	17234	17149	15126	10049	16256	0	13883	15735	0	11596	9315	7625	16511	4390	4378	17261	11012	11159	35044	24285	23522	37150	20960	21862	0	15834	19514	4737	3226	5830	20214	11291	16485	0	26052	3914	0	15250	7594	Lipid	0.29166666	1.3333334	0.083333336
18	C24 H32 O7 N2	461.22824	461.22882	-0.10445966	461.22818	30158	23623	26579	22172	10858	12615	24248	36833	12221	24778	14590	13950	13563	9351	25829	33312	22929	15103	17763	39471	30188	35907	21003	33595	27096	12360	19588	16057	28156	27951	29704	35681	44869	28519	23653	28685	42478	17935	23726	31411	27940	16179	0	0	0	28349	16472	0	38435	23523	29263	26809	16324	0	9585	11461	13491	37167	25074	16468	31538	19982	8153	13070	9256	9963	20869	28848	11210	25614	13530	24900	26199	29366	20197	28512	0	22045	18922	21877	18476	15541	26546	17846	7567	9973	29363	19441	14916	41747	50363	62787	62816	16661	33123	0	28549	27013	5743	6713	8494	33530	16470	33886	14722	30853	10024	0	22264	12830	Lipid	0.29166666	1.3333334	0.083333336
8	C24 H32 O7 N2	461.22824	461.22897	-0.01801717	461.2282	15311	13239	8556	14185	3265	6352	7822	15059	5238	17058	8451	8768	4666	3044	10473	14986	10393	5322	7966	23642	22211	21010	8850	19111	10832	7842	9053	7404	14398	12575	13181	17548	16397	12786	21684	13806	15903	7562	12783	19015	11840	5261	0	0	0	11711	12686	0	15720	14529	14286	12140	4587	0	8550	3336	4305	16912	2168	3536	17348	9503	4210	6656	2052	6849	6927	13595	5597	14904	10044	11547	13236	10903	10718	12946	0	8908	11945	10626	8244	4123	4919	11632	2925	0	12276	6179	7275	21194	0	8819	29049	9104	21547	0	13502	13299	3527	2464	2988	16060	7588	14842	0	14805	4255	0	10187	3269	Lipid	0.29166666	1.3333334	0.083333336
16	C24 H32 O7 N2	461.22824	461.2288	-0.10799789	461.22818	27250	25647	23128	23585	10552	10311	25441	30566	8835	22047	12197	25074	4239	8268	24117	35680	27123	10325	20755	30726	21952	30966	21156	32962	22041	12459	18470	13996	21609	23426	23746	34027	40484	24042	36401	27003	41601	22556	33556	36520	22121	12856	0	0	0	25495	18940	0	34226	28996	23915	25291	12353	0	8513	8458	11172	39185	16849	17913	25021	16163	8644	8705	6382	9637	15328	33859	9480	24182	15527	25609	21741	30045	24684	25235	0	20705	19069	23040	15574	19469	19671	23062	6592	9695	24973	17340	14078	34751	39250	40061	63139	15700	29824	0	24347	20694	5059	10638	9784	32931	21129	27779	11919	44650	7986	0	29312	9125	Lipid	0.29166666	1.3333334	0.083333336
10	C24 H32 O7 N2	461.22824	461.2289	-0.026237028	461.2282	18405	14212	18372	16190	6483	9273	14816	25233	7477	31058	10708	10000	7377	4013	13300	22840	14486	9480	12877	42660	39726	29632	15881	29766	20272	13763	8381	11855	20866	18459	16428	20388	26147	17458	38765	18963	29118	11730	14557	32194	14697	13619	0	0	0	16370	15065	0	17582	12127	17624	17380	10074	0	9902	4587	4640	26915	3076	7829	14675	12143	3077	6048	3587	7574	12040	17654	7814	32271	19946	17295	16820	11767	16857	17839	0	15010	16277	9464	12313	4845	6865	16467	3593	5187	18550	8687	12286	29070	28492	18527	50683	15847	32142	0	18392	15036	5203	4366	3225	29404	12033	20342	0	23305	5159	0	17101	8266	Lipid	0.29166666	1.3333334	0.083333336
26	C29 H32 O5	461.23224	461.23282	-0.027585818	461.23224	13192	16336	13731	12903	14895	6474	6964	17721	12960	9619	23425	9927	13643	8609	11677	13315	18317	8314	15707	19245	18550	12714	13576	20815	16863	70376	9624	25257	15903	18635	15517	9377	16620	9830	10270	18296	14164	9473	14074	19520	24175	10904	0	0	0	13725	11376	0	14769	12595	14181	18343	15093	0	10516	12426	9421	13974	9694	11420	18079	13069	8901	8287	5669	14026	13569	16320	68251	33355	48141	9906	11274	12384	0	17002	0	10586	20989	13625	14356	12446	13058	22911	17488	8465	24944	13177	12030	16613	7614	8396	19200	12804	9549	0	14689	15573	9347	25442	20584	20277	10456	18344	10571	15478	18123	0	12429	8038	Phytochemical	0.1724138	1.1034483	0.0
24	C29 H32 O5	461.23224	461.23276	-0.056884892	461.23224	21534	19897	22280	23335	20509	7650	11747	22042	18521	16430	32449	16710	18721	13881	22821	30408	27608	13704	21075	26891	23946	15301	19793	25883	17561	88765	13844	27030	17800	20797	17954	24285	26579	16463	20525	22823	17040	17783	27959	23716	35574	14718	0	0	0	17611	16390	0	24172	21149	22865	20364	18745	0	13874	20681	11973	18338	14519	18090	22647	19787	12588	13774	11411	14064	17761	26397	70369	43059	79952	18766	15879	19294	17535	18419	0	17007	31558	17393	22231	14375	15955	20894	20750	14924	33030	15304	17411	26189	14504	16323	28203	17286	14691	0	23690	21734	13435	22637	25457	28497	16771	28914	12914	23849	21697	0	25407	10745	Phytochemical	0.1724138	1.1034483	0.0
22	C29 H32 O5	461.23224	461.2328	-0.057632424	461.23224	13429	12932	10115	13699	12900	4356	11167	13752	11472	9288	14960	13388	4731	6680	17435	16935	23096	7781	10688	14656	11841	11464	13872	18126	12976	39329	12259	12172	9954	14259	10525	13852	15062	10747	8722	16622	12131	14962	25848	14132	21066	12086	0	0	0	9652	13012	0	13840	15271	15184	10979	11044	0	6567	7482	12390	17776	10225	18355	18933	9163	9241	10462	7066	10237	12711	28749	29350	27232	46272	7473	10805	14701	13587	18067	0	13251	19874	13527	21720	9745	11449	10926	13050	11374	29223	9878	9772	21869	15055	10912	19460	7420	10996	0	14330	12651	9854	16706	15264	25350	13785	14670	7974	16440	12066	0	18935	8356	Phytochemical	0.1724138	1.1034483	0.0
2	C26 H36 O5 S1	461.23563	461.23602	-0.23807885	461.2355	0	0	566	0	0	0	0	0	0	0	0	0	0	0	321	0	0	0	0	0	0	0	0	0	0	0	0	8422	0	0	0	0	0	0	0	0	0	0	763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24815	0	0	0	0	0	0	0	0	0	0	3586	2449	0	1490	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1923077	1.3846154	0.0
14	C23 H32 O6 N4	461.23947	461.23962	-0.31072408	461.23932	0	3241	2489	0	0	0	0	1338	0	0	0	0	0	0	0	0	0	0	1550	0	0	0	1637	2905	2146	0	1772	10236	0	0	1380	0	2115	2657	0	0	2070	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2688	0	0	0	0	0	0	0	0	0	0	0	0	0	1385	0	0	0	0	0	1472	2173	3337	3052	0	0	1330	0	0	0	0	0	0	0	0	0	0	0	0	157880	60755	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.3913044	0.17391305
8	C23 H32 O6 N4	461.23947	461.23996	-0.13498202	461.2394	2972	4314	3720	4400	0	2395	2069	2923	0	4374	4303	3209	856	0	1642	5014	1615	0	1257	5616	4645	2822	980	6128	3605	1955	703	33879	3005	2871	3164	3527	5599	2830	6639	3704	5043	1879	3428	2005	3726	863	0	0	0	0	2185	0	5005	3033	2765	4174	1216	0	0	0	610	1898	0	0	0	0	0	0	0	863	1502	4004	0	2561	2992	2943	2930	3295	1958	4498	0	2220	2483	28592	2073	670	0	946	0	0	1774	780	1139	8160	31507	7105	5653	1683	4023	0	2180	1873	0	0	0	3405	2375	2338	0	5305	0	0	2581	0	Peptide	0.26086956	1.3913044	0.17391305
26	C26 H36 O7	461.2534	461.25397	-2.37262E-4	461.2534	236238	224316	222057	230613	239279	154069	135795	248288	255686	347384	248878	115449	289708	154275	190939	233238	162730	287183	403630	496760	449757	240120	176277	237404	215219	435845	120318	296049	263850	227760	208437	229604	279216	180342	490230	267757	316901	160539	163882	307217	201473	153153	5153	0	0	220085	142863	0	232978	191497	249652	233585	197634	0	346729	278395	139331	247500	214556	100828	232117	189975	292943	221690	99552	230001	190762	172428	427703	641255	528016	182137	190596	221072	144758	206409	0	156891	317135	145941	172936	131392	189081	200847	270404	172952	274602	136625	171941	177297	268063	316853	314349	163190	224173	0	228871	267480	151136	256070	271851	304004	123137	277429	161978	188670	205626	0	177531	261689	Lipid	0.26923078	1.3846154	0.0
16	C26 H36 O7	461.2534	461.25394	-0.13195917	461.25333	38877	38451	36603	43532	29433	15112	48600	41939	28670	24326	22088	36717	20450	16693	37087	53866	76577	19709	35428	32121	33123	30877	37339	42417	30042	38554	61393	17884	34889	50950	34317	44106	41694	24862	27748	41458	31509	38380	73359	14200	32021	21909	767	0	0	17521	34083	0	52755	32479	39296	37042	26644	0	31319	31756	26341	43177	24313	38089	35472	12441	32738	29025	20937	25232	23423	68572	24430	31518	46001	25054	23353	46539	73982	44558	0	29476	61224	23742	43504	19919	34796	20658	45654	27149	54592	15576	23706	115034	26409	35139	42748	18259	22157	0	45342	29654	23537	51482	52907	50310	26058	37566	13863	38148	39286	0	43025	23960	Lipid	0.26923078	1.3846154	0.0
28	C26 H36 O7	461.2534	461.2539	-0.067029014	461.25336	36034	34384	37057	35073	39275	16413	28190	37045	30851	43144	32598	17241	45656	21759	23156	35182	30661	35608	54572	52038	46067	34538	25328	30662	32015	75418	29605	35497	38324	45186	34314	34051	48939	28639	60850	44361	41369	23374	38229	33878	32710	24685	1429	0	0	27501	20839	0	37047	31684	34807	30389	30903	0	49611	36085	18859	41253	25527	12796	34118	21054	40633	33934	17479	42188	31797	35895	66867	84315	104725	21645	28253	31234	24249	33872	0	19536	47164	22129	27289	17378	23726	30422	45051	26945	43324	20985	24145	35498	35725	45852	44537	24438	27694	0	37250	39987	23144	53646	59914	54768	20601	39273	19486	31057	29024	0	23424	36616	Lipid	0.26923078	1.3846154	0.0
18	C26 H36 O7	461.2534	461.25394	-0.096681446	461.25333	129283	119379	122669	125134	107386	61795	121176	127995	91121	92850	95024	93569	91708	59085	107201	167752	175272	79346	146559	119553	117063	84753	99450	123661	91643	126585	133334	80873	128092	118732	109907	132417	130605	82304	100546	129764	118854	113329	209273	66905	98254	82915	1956	0	0	71817	92539	0	125888	112519	123116	119612	88080	698	124247	108714	81299	147082	83573	101908	117041	54522	106950	89777	69761	87886	81861	226639	109550	135686	182258	68193	82225	128798	174266	144831	0	84810	169519	76457	120465	65876	104106	71943	148856	96811	173427	59325	83981	192508	114636	111194	145027	60359	75447	733	124140	111753	96871	145514	158796	142758	84876	110130	52374	100988	114809	439	130128	94392	Lipid	0.26923078	1.3846154	0.0
14	C26 H36 O7	461.2534	461.254	-0.0766146	461.25336	10524	12091	9488	12240	7112	4828	18399	12457	8794	2345	6113	10996	3292	3809	9025	12791	20826	6211	5448	6264	7403	5210	12284	13014	7544	4424	17665	0	9780	15557	8684	9791	11311	5033	5413	16251	7835	10012	25364	3256	5961	4271	0	0	0	3095	6490	0	11663	11890	11913	8125	2994	0	8344	6412	7777	13288	4922	9644	0	2622	3165	5244	5207	3014	4201	23088	0	3895	8639	5114	7165	13069	23242	10922	0	6369	16323	0	14141	4938	10327	4569	7193	6496	16193	3148	5525	23173	6529	7441	10821	3809	5020	0	9114	13754	5513	10976	15787	13106	10071	8688	0	9049	11730	0	14300	2894	Lipid	0.26923078	1.3846154	0.0
20	C26 H36 O7	461.2534	461.25394	-0.023114026	461.25336	320762	320464	305294	286999	305048	177322	273159	290086	277671	303862	238495	210036	246198	199669	279370	378752	380794	258005	394237	398873	379729	244069	218804	299135	227665	463873	264713	259315	287348	286827	230611	293698	351964	213562	345242	311785	334893	244131	409497	243236	277072	206436	7594	1226	345	192003	238811	993	314534	259484	298001	311664	250350	906	341278	289647	199558	341410	209932	227336	320801	155150	284281	274886	187349	272479	215167	397452	365986	493095	567300	202121	233598	307457	404587	302805	497	210937	372179	204342	270220	132753	256268	265649	378352	237414	381758	194079	225792	377119	304720	301918	342766	175509	221530	2493	301383	313070	243618	349860	380208	399235	208313	311554	162308	267875	309363	1527	260381	266313	Lipid	0.26923078	1.3846154	0.0
22	C26 H36 O7	461.2534	461.25394	-0.027496548	461.25336	570568	611818	541460	579490	651624	370556	454555	555471	591716	740006	607426	365205	524935	369367	484739	616816	539359	605769	750235	955139	948212	468838	472828	517245	460116	1095185	423532	593814	592584	519383	453375	578514	688786	449494	841502	598473	656177	482198	590527	558873	532075	382290	13842	0	798	411479	395674	0	593865	490393	587587	571592	517062	2622	721754	582122	382008	577067	405590	347603	553122	365866	622585	570157	302872	542517	428315	586588	865374	1363049	1367559	396351	423849	488473	472327	528713	697	383999	624177	328495	469094	296394	457608	451247	694927	473001	657215	394266	446997	575872	591449	670313	610838	345787	503559	0	549724	621641	443346	670333	579675	747540	364953	596775	309205	489794	542470	2778	475225	619528	Lipid	0.26923078	1.3846154	0.0
6	C20 H36 O8 N4	461.2606	461.2611	0.18849151	461.26068	18504	17008	17514	16450	0	30324	0	0	487	1998	9104	500	953	665	0	1584	0	1330	0	0	0	1409	0	0	0	0	678	150651	1058	0	0	0	4507	671	0	0	3248	0	0	0	0	3469	0	0	0	0	0	0	0	0	19698	17247	891	0	0	0	0	1556	0	0	1023	0	0	0	741	0	0	0	0	0	0	0	0	0	0	0	0	665	0	838268	0	0	0	0	0	0	0	1080	964	0	1776733	704037	1731	77901	11913	0	19081	13129	0	0	0	1113	519	0	0	0	0	0	0	746	Peptide	0.4	1.8	0.2
4	C20 H36 O8 N4	461.2606	461.26147	0.033568215	461.26062	2797	2675	2975	3310	0	9286	0	0	0	0	0	0	307	0	0	785	0	1065	0	0	0	0	0	503	0	0	0	26545	0	0	352	0	1161	0	0	0	1343	0	0	0	0	430	0	0	0	0	0	0	0	0	2719	2426	0	0	225	0	0	588	0	0	726	0	0	0	0	600	0	0	0	0	0	0	0	0	0	0	0	0	0	268808	0	0	0	0	0	621	0	0	0	537	249901	82901	0	13427	3194	0	2419	2660	0	0	0	457	0	0	0	0	0	0	0	0	Peptide	0.4	1.8	0.2
8	C20 H36 O8 N4	461.2606	461.26135	0.151401	461.26065	25976	26981	20139	25000	0	17726	0	974	0	2069	15241	0	900	1465	0	2183	0	1493	0	0	0	1931	0	0	718	0	0	252232	1538	0	0	0	3229	0	0	0	1114	0	0	0	0	2888	0	0	0	0	0	0	0	0	24546	23795	647	0	0	0	0	1330	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	849028	0	0	0	0	0	0	0	0	0	0	2270896	835804	0	113092	16116	0	23144	23305	0	0	0	0	696	0	0	0	0	0	0	0	Peptide	0.4	1.8	0.2
12	C20 H36 O8 N4	461.2606	461.2611	0.2237338	461.26068	3225	1908	2041	4540	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45307	0	0	0	0	0	0	0	0	2994	0	0	0	0	0	777	0	0	0	0	0	0	0	2276	2065	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	125009	0	0	0	0	0	0	0	0	0	0	327933	117141	0	18487	1777	0	2728	2295	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.8	0.2
2	C20 H36 O8 N4	461.2606	461.26138	0.2247789	461.26068	0	649	0	0	386	0	0	0	0	0	0	0	1387	274	474	0	0	954	0	0	0	0	462	0	0	0	0	5461	657	475	614	521	559	992	0	0	1155	382	0	0	0	0	0	0	0	0	0	0	0	0	0	707	0	0	722	0	0	0	0	0	587	0	0	452	0	809	424	0	0	0	0	675	0	0	0	0	0	663	0	36870	319	0	0	0	0	0	0	0	0	0	8893	7591	0	2647	0	0	0	0	602	0	0	0	0	0	0	0	0	0	0	1272	Peptide	0.4	1.8	0.2
10	C20 H36 O8 N4	461.2606	461.26123	-0.060783267	461.26056	12727	12030	11943	10418	0	4096	0	0	0	1148	9164	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	135469	0	0	0	0	0	1020	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11263	14150	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	377595	0	0	0	0	0	0	0	0	0	0	1364115	371904	0	61884	7208	0	12924	10167	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.8	0.2
14	C20 H36 O8 N4	461.2606	461.2608	0.06885866	461.26062	0	0	1642	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7759	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14497	0	0	0	0	0	0	0	0	0	0	66402	17089	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.8	0.2
24	C30 H36 O4	461.26865	461.26913	-0.12405693	461.2686	13799	15435	14519	16101	14653	6344	9836	12336	9994	3360	8565	12270	5638	8719	16066	20856	31100	4362	11714	5110	6907	7980	14930	16902	19275	20210	10823	10367	9778	16004	9330	10929	15705	5840	4888	16360	14788	12810	33054	6303	13849	8141	0	0	0	4249	8359	0	13666	17984	10424	15065	9571	0	9614	16893	9189	17156	10896	15218	15815	5570	5971	6221	6050	8456	11344	32720	17772	12494	17380	5062	6976	12907	17758	15260	0	10229	31196	13331	20342	4875	12186	8234	18115	11151	38954	9101	8706	40083	10748	8768	20270	11189	7070	0	14493	16368	12522	27223	20692	16429	12471	17681	2938	15656	15288	0	31362	6128	Phytochemical	0.13333334	1.2	0.0
26	C30 H36 O4	461.26865	461.26917	-0.09594324	461.2686	14597	15049	12795	12653	19270	6560	13840	20900	13604	2938	13690	12159	12947	10161	17348	20115	27159	5895	15326	10270	6997	11714	15694	22970	18783	34580	13213	14089	15785	23642	15834	13711	22328	9904	7753	22023	16792	15014	22795	9459	15094	11988	0	0	0	10529	9015	0	14352	19508	15571	15024	15310	0	12505	21885	10470	17334	10365	12048	21900	6462	5102	8984	4499	9388	18687	28063	30174	16331	21373	8236	11006	16955	12415	17246	0	11943	29700	22503	21536	8469	14034	10835	20127	13457	41447	8996	10158	33817	11037	11042	27944	15778	9998	0	16333	13976	13796	37769	27776	27581	11640	26191	0	18036	18374	0	33069	6252	Phytochemical	0.13333334	1.2	0.0
12	C24 H36 O5 N4	461.27585	461.2767	-0.4610934	461.27563	0	0	0	0	0	1125	0	0	0	0	2932	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	107938	12310	0	5547	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.20833333	1.5	0.16666667
10	C24 H36 O5 N4	461.27585	461.2761	-0.06500999	461.27582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8280	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	130642	0	0	0	0	0	0	0	0	0	0	60416	6139	0	3532	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.20833333	1.5	0.16666667
26	C27 H40 O6	461.28976	461.2903	-0.055996127	461.28973	210521	201786	214123	195268	264171	134721	242887	195537	233290	165118	225208	113966	195454	174238	170476	239266	307224	214114	391118	274157	233320	154728	145552	167487	216011	348417	238649	269341	247969	236374	168944	236629	295999	172432	235998	289514	257693	161158	329975	205053	195098	169851	5352	0	0	151486	132408	0	202872	170572	221618	210853	204146	0	340275	288419	143103	247817	179316	129646	213853	150078	216013	208698	125707	202140	230662	298850	288863	311477	275988	119704	171937	257114	194503	215056	0	134878	208752	181069	136051	127656	203885	194853	353655	216411	291945	138348	184332	227801	247772	266676	217453	161038	170675	0	211145	232092	171592	325589	367899	350438	111369	252658	161266	168397	277341	0	198049	179366	Lipid	0.22222222	1.4814814	0.0
28	C27 H40 O6	461.28976	461.29028	-0.082407005	461.28973	44873	45708	43623	41751	51688	19047	62608	45247	44607	31411	41821	20793	46315	31431	31135	46534	52916	36550	77599	43779	38129	33238	27864	34174	57661	77440	52363	59583	61740	52722	39970	53021	65446	36825	49873	66833	54389	36804	47383	31308	33934	33200	1335	0	0	29583	19288	0	42975	36988	44425	42008	46077	0	77054	62355	30969	54770	45207	24319	48837	32336	40954	43326	28710	51757	52542	55371	56096	56406	54022	35106	32196	52897	26917	40679	0	29447	55017	45602	30048	31693	47458	42193	82358	43242	83720	23849	33876	56441	49165	60865	53768	45098	30723	0	45072	45540	38454	94776	112027	72670	20526	57112	43852	44597	63463	0	42419	35696	Lipid	0.22222222	1.4814814	0.0
20	C27 H40 O6	461.28976	461.29028	-0.11080733	461.2897	38259	28286	36871	34389	35678	17927	57270	32701	26827	10063	19643	26173	20671	33367	33675	56686	100643	13857	43645	21107	16173	19794	24446	24979	33077	16679	65804	21020	43139	44602	34756	42267	45050	25696	19835	47379	39765	30839	115143	10566	19685	23065	554	0	0	8073	18998	0	37047	41160	36368	34253	30603	0	35606	37454	25054	46040	12677	29058	33731	5896	28000	29911	28567	22491	33425	106450	16241	22701	25341	15418	25154	50744	87573	37250	0	20878	56921	21886	34989	12597	37664	14301	53636	31946	78813	22600	25001	98766	27042	25729	40264	14537	13981	0	36855	36512	25585	60381	64036	47774	27797	29790	13295	32135	44312	0	46037	20179	Lipid	0.22222222	1.4814814	0.0
18	C27 H40 O6	461.28976	461.29034	-0.025883703	461.28976	9360	8157	6250	10368	5935	1826	17845	10179	4739	0	2368	6935	1461	4426	8110	10788	30558	0	4275	3490	2217	5511	7974	3511	7337	2911	18416	2645	5127	14663	9620	8989	9893	4230	0	11093	8070	13170	44827	0	2285	5859	0	0	0	3067	2535	0	10423	7567	8238	6150	4441	0	9442	7008	5396	12745	2083	7827	10705	0	5894	4993	7103	4226	6790	37878	1193	2974	3718	2408	3927	15968	22624	9227	0	6334	13313	4668	9582	2010	6051	1923	14515	9826	21364	4147	5882	31154	6655	6302	13603	3494	0	0	9630	6051	5025	16253	16012	12296	6181	3902	1317	7668	5790	0	14227	2072	Lipid	0.22222222	1.4814814	0.0
24	C28 H44 O5	461.32614	461.32663	-0.1604785	461.32608	28593	34292	31807	28549	16085	17444	74113	36032	15283	3454	14410	25789	9688	31847	27633	66790	136278	9505	21774	4813	2673	7802	18959	15071	36497	6269	71347	16338	46054	72832	36829	64576	36192	33725	5569	70826	33692	33531	124627	4199	9828	23804	0	0	0	5297	7282	0	46480	41735	28554	27401	18360	0	19310	18566	23566	54489	8907	20193	42319	3102	15344	8579	35052	15181	31938	127686	3012	3790	11358	17092	32552	64797	93786	61041	0	25617	35506	18994	19865	9547	23435	16342	28569	37151	66588	17197	22533	89456	19842	24034	25638	7523	4017	0	29762	34746	18402	31911	41071	57065	22823	19537	9820	32879	28130	0	37474	5138	Lipid	0.17857143	1.5714285	0.0
22	C28 H44 O5	461.32614	461.32663	-0.08790445	461.3261	8514	10162	9300	9240	3740	5670	18718	12040	1517	0	1791	8463	0	7354	6623	19096	211819	0	5134	0	0	0	3968	2900	12206	0	19703	1258	19905	25361	13165	21536	13434	6405	0	22171	7854	10865	214189	0	1780	9200	0	0	0	0	0	0	10894	15694	10413	9734	4763	0	4365	4477	6383	15956	1161	4148	12585	0	1806	1646	10822	1997	7993	264605	0	0	2616	4218	9780	23751	43843	26507	0	6278	10303	3446	4170	0	4435	2265	4863	7353	26982	6040	4386	62278	3952	3053	8530	0	0	0	9571	12685	3030	6438	11378	19804	7903	2728	1180	9702	8308	0	12698	1531	Lipid	0.17857143	1.5714285	0.0
28	C28 H44 O5	461.32614	461.3267	-0.08771355	461.3261	25124	18483	23102	19648	17518	7196	71012	46997	12718	3601	19937	10293	10159	19788	15235	40748	67067	6266	19344	4622	5237	9654	10254	13800	34982	15932	53630	23433	39923	48001	28534	30672	39247	21167	9451	48425	36058	22232	73394	6418	6367	14417	0	0	0	10905	5021	0	24820	30660	19487	18901	13840	0	20136	18926	13026	50151	34004	8942	47320	16928	10410	14677	18026	17250	27551	78338	7813	7664	7181	13350	13708	47802	24529	46573	0	12698	22435	24743	11699	13288	20029	15677	44488	22679	53923	8476	10744	31118	23560	22248	20984	14000	5258	0	22615	19298	15133	37494	52088	51241	11316	25443	27986	26203	30428	0	26177	6659	Lipid	0.17857143	1.5714285	0.0
26	C29 H48 O4	461.36255	461.36282	-0.07589915	461.3625	3838	2945	0	2692	0	0	32444	0	0	0	3189	0	0	6872	0	0	11290	0	0	0	0	0	0	0	0	0	35954	3523	5976	9865	3889	4759	1477	0	0	7476	0	7273	12542	0	0	0	0	0	0	0	0	0	5565	11720	2588	3839	0	0	0	0	4139	2493	0	3465	8704	0	0	0	6171	0	2541	12387	0	0	0	0	0	9529	6543	11548	0	0	5509	0	0	0	0	3243	0	0	15439	0	0	13281	0	0	0	0	0	0	2954	0	2290	0	0	0	0	0	0	1445	0	0	5424	0	Lipid	0.13793103	1.6551725	0.0
28	C29 H48 O4	461.36255	461.363	-0.02258548	461.36252	1714	2097	1915	1413	0	0	29301	7196	0	0	6352	2727	0	3949	2309	4834	7162	0	0	0	0	0	1935	0	3526	5969	23653	3446	3584	8902	4178	3904	2649	2044	0	7329	1852	4368	8868	0	1301	0	0	0	0	0	0	1220	3907	5941	2361	1792	0	0	0	0	1004	3370	1536	0	5497	1516	0	0	5659	0	2300	8278	3749	933	0	3655	3111	4626	3110	3543	0	2253	2806	5909	2222	2696	1695	3556	2983	2964	18698	0	0	8470	3199	1243	2020	1123	0	0	2926	1943	1097	2095	2010	3585	1925	3755	0	1435	0	0	2999	833	Lipid	0.13793103	1.6551725	0.0
14	C20 H15 O12 N1	462.0667	462.06766	0.1882653	462.0668	2752	0	1803	3685	8192	1450	0	0	10128	4248	1744	0	15406	0	0	2753	0	4428	5420	1881	7668	15849	1658	0	0	0	0	0	0	0	0	0	0	0	3776	0	0	0	0	2472	8454	1215	0	0	0	3221	13321	0	0	0	0	0	2796	0	11859	9943	2607	0	0	0	0	4129	16298	12091	2895	8102	2422	0	0	0	0	0	0	0	0	0	0	0	1746	0	1187	5056	0	0	9324	0	0	0	2592	0	0	0	0	26816	7061	0	2757	2005	5041	15582	10868	0	1223	0	0	0	4434	0	0	20384	Phytochemical	0.6	0.75	0.05
26	C20 H15 O12 N1	462.0667	462.06723	-0.06234933	462.06668	3164	2709	3987	2495	6761	4195	0	0	9409	2061	0	0	21305	3280	0	0	0	21490	11434	0	7172	11386	0	0	0	0	0	0	0	0	0	0	0	0	5554	0	0	0	0	3018	4426	0	0	0	0	0	12910	0	0	0	0	3589	5924	0	11104	9905	3996	0	0	0	0	0	18810	12945	3453	8425	2647	0	0	0	0	0	0	0	0	0	0	0	3268	0	5637	4843	0	0	12722	0	2768	0	4644	2332	0	0	0	12263	13973	0	5750	0	2362	8743	9312	0	0	0	0	1575	4958	0	0	18780	Phytochemical	0.6	0.75	0.05
20	C20 H15 O12 N1	462.0667	462.0673	0.057097647	462.06674	3964	3726	3224	5122	8731	4193	0	1512	12315	3805	0	0	21862	5791	0	0	3258	14519	8700	2258	3520	14679	5173	0	1738	0	1738	0	0	0	0	0	1789	0	2339	0	3844	2553	1825	3239	8128	6306	0	0	0	6154	17087	976	0	0	3355	4259	6184	0	18208	10787	4279	0	0	1258	0	4592	17799	19719	2624	10632	5128	1769	0	0	0	1353	0	0	0	0	296	2290	3467	12742	1963	6222	0	0	11731	7008	3059	5868	7118	2480	0	1698	0	24156	14792	0	2821	4372	8332	15532	11242	0	1653	0	9915	2128	7948	0	1266	19432	Phytochemical	0.6	0.75	0.05
16	C20 H15 O12 N1	462.0667	462.0674	0.082518905	462.06674	1714	2171	4546	4663	15307	3579	0	0	13918	0	4145	0	26472	2653	0	0	0	10697	11362	2462	9937	20333	2217	0	0	0	0	0	0	0	0	0	0	0	9041	0	0	0	0	3030	11214	2079	0	0	0	5474	17850	524	0	0	3837	3603	6544	0	15366	10653	3071	0	0	0	0	6287	22909	12741	4543	13475	7350	0	0	0	2003	0	0	0	0	0	0	0	6162	15094	1926	8248	0	0	16624	3896	4624	4021	6975	0	0	0	0	30725	13026	0	3726	4909	9969	16329	13187	0	1279	0	7328	0	10487	0	0	21664	Phytochemical	0.6	0.75	0.05
18	C20 H15 O12 N1	462.0667	462.06744	0.10501575	462.06674	4684	3412	3437	3845	16064	4675	0	0	13397	5807	2962	3911	28716	2560	0	2590	2585	20097	11588	2362	2786	22709	2758	2561	0	0	0	0	0	1274	0	0	1711	0	8110	2476	0	1896	1372	5001	6906	4783	374	0	0	5894	16249	421	0	0	4361	5496	7307	0	18572	18721	5098	0	0	1084	0	9182	28361	22201	3407	20957	4396	0	1292	0	0	1276	0	0	1607	0	0	0	6335	8614	3247	7196	0	0	17639	4995	3180	4443	6175	2712	0	0	2293	29200	16564	0	2546	6369	7808	18379	11819	0	0	0	11696	0	8547	0	1123	23786	Phytochemical	0.6	0.75	0.05
24	C20 H15 O12 N1	462.0667	462.06732	0.0935794	462.06674	2938	1955	1291	3457	6892	4385	0	0	8456	1851	0	1435	20833	1229	0	1478	0	12470	10590	0	4080	7735	2948	0	1800	0	0	0	0	0	0	0	1572	0	3023	0	2194	2084	0	1982	2742	1409	0	0	0	3412	7723	0	0	0	2707	2598	3797	0	15056	7149	1266	0	0	1576	1966	2450	13021	9908	0	9656	2586	0	0	0	0	0	0	0	0	0	0	0	1339	7624	3770	4282	0	0	13253	3244	1912	0	2774	1857	0	0	2752	9874	9223	0	4033	3940	4170	7508	8590	0	843	0	5177	0	3858	0	1233	17026	Phytochemical	0.6	0.75	0.05
28	C20 H15 O12 N1	462.0667	462.06726	0.07509404	462.06674	4976	6199	4927	6719	10540	6552	1620	0	10941	2830	1395	1664	22090	4581	0	0	0	16424	14518	3075	8758	12868	3834	0	0	0	0	0	0	0	0	0	1439	0	7911	0	2294	1993	0	3286	5394	0	0	0	0	5293	8661	0	1116	0	5921	5100	5633	0	15212	9408	2864	1906	0	0	2312	3818	27650	11222	3122	12403	4465	837	0	0	1621	0	0	0	0	925	0	954	6043	7532	4624	2936	0	0	11971	4689	3153	2294	1988	2251	934	1017	2936	12887	13866	0	6071	3302	4129	7635	9451	0	1246	0	5923	2176	7045	0	1939	25372	Phytochemical	0.6	0.75	0.05
12	C17 H19 O14 N1	462.08783	462.0887	0.18440668	462.08792	0	0	7380	0	33615	6579	0	0	30203	0	0	0	52119	0	0	0	0	20211	18828	0	4020	0	4344	0	0	0	0	0	0	0	0	0	0	0	1432	0	0	3468	0	7050	0	9666	0	0	0	0	0	0	0	0	0	0	11742	0	26010	46563	11370	0	0	0	0	0	57246	30561	10419	21879	10368	0	0	0	0	0	0	0	0	0	0	0	3918	0	0	0	0	0	30690	2559	0	6537	3945	0	0	0	0	12846	0	0	0	9117	27723	36078	46131	0	0	0	0	0	22560	0	0	45894	Phytochemical	0.8235294	1.117647	0.05882353
8	C21 H19 O11 N1	462.1031	462.10388	0.08114332	462.10312	4690	5684	3983	3356	6914	2064	1203	0	10820	18508	11809	962	14285	1716	932	2350	1449	7247	8312	5539	17593	12989	1734	1693	0	1397	689	0	864	0	0	0	2008	0	23138	0	2130	1977	2164	6811	15185	2222	0	0	0	8347	17044	0	1548	0	4281	4869	3780	0	9681	9909	2925	2249	1675	2168	0	4948	19736	11071	1821	8248	1574	1169	6628	4779	11108	1073	834	0	1396	1247	0	842	3263	3205	1132	5637	1475	2882	10857	0	2859	3022	2641	3561	0	0	2154	14566	10747	0	6710	3249	7689	15318	10392	1662	885	0	0	944	6788	0	777	14371	Phytochemical	0.52380955	0.9047619	0.04761905
16	C21 H19 O11 N1	462.1031	462.10376	0.049876247	462.10312	47613	51029	38521	36647	46136	24719	7821	15672	60732	134577	64032	13255	107975	20972	13331	16157	10945	72126	66500	93072	125286	155388	23496	19079	8858	21805	9143	28842	5025	8123	7329	8663	22332	6105	174621	5930	16944	14587	9798	79917	78654	20067	1689	0	0	79605	140912	416	11313	6315	49749	41259	38428	0	71855	47877	24187	17445	16746	17337	16651	69736	121387	62336	19002	73004	25937	13575	45690	35297	55824	10238	6869	2310	7399	5631	0	9023	32106	102646	20771	78506	6559	39411	63976	25726	26729	25992	25530	0	20577	37273	35168	139456	144047	0	44367	46660	44823	57223	53484	25698	8245	14138	79463	22487	40870	0	11089	100548	Phytochemical	0.52380955	0.9047619	0.04761905
24	C21 H19 O11 N1	462.1031	462.1036	0.07903107	462.10312	5251	4129	5615	3770	10322	4820	1208	0	10667	15462	3971	0	25182	3851	1591	2135	0	15924	14589	8996	11719	22305	2578	2159	0	2262	1287	0	0	0	1188	0	2620	1146	18836	0	0	1085	1159	10527	5586	1537	0	0	0	16653	29258	0	963	0	7051	5893	5528	0	16140	12657	3096	2378	1604	0	0	6110	22364	15268	2666	14506	3255	1406	1703	5150	5190	766	0	0	0	0	0	1056	6583	10259	3121	14739	0	3932	11839	5066	3562	1428	3694	2664	3073	2672	0	27669	31750	0	6007	6770	8973	13118	10201	2390	0	1520	13858	0	6701	0	4137	25361	Phytochemical	0.52380955	0.9047619	0.04761905
14	C21 H19 O11 N1	462.1031	462.1038	0.07826862	462.10312	45015	43328	39800	40862	43713	28546	9322	9343	49411	123931	69335	7428	91221	19689	11577	13044	15895	63384	57556	92957	119947	151421	23019	15181	6458	22863	6669	28169	4435	8667	8394	8555	15565	3921	181401	5266	14051	10186	11684	62729	109671	16856	0	0	0	73900	138255	0	6796	7245	38692	37666	27687	0	68268	46596	20690	16871	19570	14510	0	70389	98715	58851	18796	50497	22750	10906	64739	39014	61878	3454	4980	6183	5375	7594	0	7273	24373	95322	15502	62727	9121	32228	54967	24201	21027	18938	23939	28459	14339	25322	28184	132185	120328	0	40700	31685	39210	49861	45392	14634	7730	16945	87772	15266	33825	0	10053	81291	Phytochemical	0.52380955	0.9047619	0.04761905
10	C21 H19 O11 N1	462.1031	462.10385	0.12328292	462.10315	12874	13684	12019	13886	15667	6412	1946	2596	21638	47007	25670	4125	33577	4488	3640	3776	6131	20692	18936	26626	40501	38690	5769	5289	1984	4282	3199	8451	1548	2653	2961	2814	5011	2693	60176	1424	3575	4427	3752	16418	34922	5835	0	0	0	19264	41776	0	3362	3031	12125	19269	8999	0	26545	18382	6585	5297	3167	5927	0	17711	36815	21764	6343	19589	6636	6227	27859	13235	22911	3008	1359	1577	1938	2606	0	2181	4266	24717	7966	23016	2364	4516	18576	6347	6821	6178	7373	7593	0	4314	6067	40985	31235	0	14543	11668	18295	25767	17592	6936	3159	2973	19409	3801	14425	0	2796	32700	Phytochemical	0.52380955	0.9047619	0.04761905
18	C21 H19 O11 N1	462.1031	462.10376	0.0837756	462.10312	36418	33258	39043	36730	46484	31637	8105	8969	41342	104178	48669	7394	94971	16978	16868	11748	9427	65214	56677	74551	91184	127661	20754	10413	7226	19335	8132	21546	8321	4409	8809	3221	14541	0	115655	4902	16776	12223	6254	71284	64057	19840	1525	0	0	76731	98872	728	6853	5947	31248	39341	28559	0	74756	45220	22219	9979	15489	11238	12584	62532	89339	54625	16952	56345	22176	9105	34150	23417	43231	6199	3912	1552	4955	0	326	6196	21950	72319	16509	63687	9442	31482	53123	29116	21378	17746	19014	14785	17080	32484	26357	104365	153222	0	27806	34207	37207	48387	53392	17513	8857	16219	66811	13798	37873	0	9085	83708	Phytochemical	0.52380955	0.9047619	0.04761905
20	C21 H19 O11 N1	462.1031	462.1037	-0.019520111	462.1031	21913	22208	23431	23083	28922	18857	5384	5743	37227	52203	25089	5240	68916	16664	8619	4072	3425	45193	32961	32962	49988	85510	11219	5966	5911	11327	3846	8665	4390	2171	2805	2780	4115	0	65231	2774	10047	6433	4116	37988	38546	9984	1260	0	289	56449	68527	614	4176	2426	21442	17871	22561	0	53496	33102	12058	2973	7649	4173	6523	32763	53686	33820	9767	32574	15376	4132	12921	15310	22792	1762	1600	1481	3489	0	417	4914	15398	53641	12557	41581	3368	14637	41010	17268	11149	13976	12777	6459	9987	14844	16437	74969	83336	0	22232	24400	20684	30777	31610	3642	4363	10133	50444	8117	24099	0	8552	59459	Phytochemical	0.52380955	0.9047619	0.04761905
12	C21 H19 O11 N1	462.1031	462.1038	0.055845167	462.10312	20864	29482	21603	26030	27762	9433	4589	6567	35176	76469	64727	6250	54439	9202	8047	8036	9725	33423	32850	53118	72994	92001	13051	7337	3039	16059	4789	11489	3337	4001	4321	5239	8997	6460	118837	1752	9850	7034	8553	51827	82764	8998	0	0	0	49039	121004	0	6227	2111	30263	23131	16322	0	40763	30706	13166	5496	8345	10557	0	44063	76277	38894	11033	36859	13600	12238	44733	23901	49870	4407	3088	2178	5534	4543	0	7165	17224	55485	11170	40080	3927	15101	34913	11240	14868	10433	8835	23302	4209	10387	13135	87444	62633	0	23488	31297	30299	36946	30382	6216	7966	10109	51059	13237	28914	0	4890	58662	Phytochemical	0.52380955	0.9047619	0.04761905
22	C21 H19 O11 N1	462.1031	462.10367	0.054946493	462.10312	14530	7299	11801	14278	15151	12412	2818	2246	20673	39803	7217	2762	26252	5435	3945	2598	2900	26545	14125	14273	26163	41211	6126	7130	2247	3500	1836	4805	1282	0	1413	0	3133	1481	40521	0	4198	2803	3067	15612	16250	5030	0	0	0	26147	44746	0	3075	0	11879	8766	13064	400	25275	15141	7712	4638	3988	1864	4360	14772	34284	20124	6935	19694	7172	1607	7679	4836	4471	0	0	0	1047	1328	350	1985	8916	23824	8679	24675	2006	8086	24306	12045	6233	6328	6386	2006	5736	6396	4496	41553	55156	0	10058	8654	16096	20343	18111	4329	2688	2264	27080	3233	15718	0	2866	31680	Phytochemical	0.52380955	0.9047619	0.04761905
28	C21 H19 O11 N1	462.1031	462.10358	-0.001155447	462.1031	4185	4752	6008	6420	6132	4261	1528	0	8807	14936	4575	888	15566	3856	1992	2153	0	14235	7390	7435	14444	13754	3030	2907	0	0	1737	1096	0	0	1192	975	1875	0	17630	0	2056	1414	1112	4750	9320	0	0	0	0	9366	17841	0	2035	0	5226	3314	6341	0	11692	4185	2121	2655	1530	0	0	6049	13592	7862	2537	7710	2552	1396	3661	6246	5898	0	0	0	0	0	0	1327	4359	8761	4451	6269	900	2362	7533	0	3189	2615	3360	1914	1181	3472	2645	11206	20117	0	6760	5710	4023	3438	3611	2394	0	0	10043	2157	4020	0	1720	12606	Phytochemical	0.52380955	0.9047619	0.04761905
26	C21 H19 O11 N1	462.1031	462.10367	-0.009324774	462.1031	2569	3649	4053	3001	8909	5457	0	0	12387	15133	2949	0	16619	3210	0	0	0	11738	9315	6266	14464	19167	0	0	0	0	0	0	0	0	0	0	0	0	18279	0	2322	0	0	6187	6047	0	0	0	0	11231	17291	0	0	0	5890	6402	5512	0	13067	9950	0	0	0	0	0	5527	19085	11659	2634	8194	4256	0	0	3654	4179	0	0	0	0	0	0	0	6208	10321	4346	7722	0	2190	5987	0	3743	0	0	0	1422	2583	0	15765	25267	0	4549	7081	3362	6842	0	0	0	0	7597	1845	0	0	2445	19140	Phytochemical	0.52380955	0.9047619	0.04761905
14	C18 H23 O13 N1	462.1242	462.12494	0.035077408	462.12424	32932	42280	24222	32188	71184	51406	9555	18419	107706	43203	32534	31749	187725	29963	33200	22286	30199	127107	118203	39629	79423	52806	57723	17678	7330	12029	3989	0	12503	21035	11155	9831	25588	14494	76491	18155	20959	25656	13198	29220	39624	60984	0	0	229	54366	149657	0	12374	22352	22432	29023	52969	0	159630	97471	37821	14490	24358	26001	0	57530	138771	120101	40323	81898	38848	22555	28097	13236	44109	11152	13795	21762	28193	12297	0	25257	23917	54306	20210	49738	4662	9344	90559	46207	13768	30490	41605	14409	6635	20183	30186	59268	63219	0	35444	49236	74088	68852	90136	39740	26499	22213	117986	23257	72080	0	5856	140819	Phytochemical	0.7222222	1.2777778	0.055555556
10	C18 H23 O13 N1	462.1242	462.12497	0.077052206	462.12424	26126	20759	17070	23478	37056	20121	5860	17266	51935	0	20140	21625	103962	14177	18039	16250	22442	61245	59463	18712	40019	33269	33539	17688	1646	0	4691	0	9738	11586	5892	9007	12904	7364	20880	9932	12391	13205	11115	7426	25504	32291	839	0	0	21362	50512	0	5944	14343	22720	17779	26481	0	82040	65696	22576	10066	10696	15279	22872	13077	90238	63210	23308	47085	23239	16567	11925	4259	9061	9901	10173	9757	20857	6847	0	11251	17495	23375	14931	14492	5229	3026	74521	26269	14328	23281	22941	16115	0	6100	23033	36128	27910	0	21521	30222	47912	59852	66437	24404	11508	11742	30216	13338	54331	0	5330	82628	Phytochemical	0.7222222	1.2777778	0.055555556
24	C18 H23 O13 N1	462.1242	462.12482	-0.003188687	462.1242	6159	4811	3657	4688	5958	3377	0	1895	4165	5069	5095	3312	3533	0	2871	0	1845	7144	0	4817	11785	5665	0	1418	0	2575	0	1249	0	0	1831	0	1596	0	5603	0	0	1383	0	4496	8948	3310	0	0	0	10716	44242	0	1131	0	3372	2690	8717	0	2568	0	0	0	1211	3100	1360	8578	4074	2862	1645	0	1477	1644	2385	2875	5390	927	1348	0	1659	960	0	1638	0	2829	0	16720	1624	1430	2692	3832	0	0	1608	0	2628	5057	0	7722	6399	0	1778	4708	4685	1195	0	1701	2716	0	23671	2162	4394	0	1251	8290	Phytochemical	0.7222222	1.2777778	0.055555556
22	C18 H23 O13 N1	462.1242	462.125	-7.03105E-4	462.1242	4575	2631	3436	2493	8997	5005	0	1982	8357	0	0	3777	3461	0	2741	1658	2002	6942	4924	4284	12955	6511	3255	2575	0	0	0	0	1453	0	1361	0	1631	2303	0	1157	0	0	2050	0	6758	5010	0	0	422	13870	60702	0	0	2214	5184	4637	2691	0	4632	4257	1762	0	4297	0	1406	6847	7528	8610	3766	0	3022	3913	7476	0	0	0	1544	3421	2495	0	358	3400	2564	6860	1559	16199	1120	0	7621	3627	0	4147	3178	0	0	0	3070	5511	0	0	2287	4408	10923	1690	4530	2146	3223	3438	32867	0	5104	0	0	8264	Phytochemical	0.7222222	1.2777778	0.055555556
26	C18 H23 O13 N1	462.1242	462.12503	-0.031305898	462.1242	3203	0	0	0	4006	5458	0	0	5558	3561	3544	0	0	0	0	0	0	0	4892	0	13779	3050	0	0	0	0	0	0	0	0	0	0	0	0	4576	0	0	0	0	2713	7186	0	0	0	0	8959	36530	0	0	0	2780	0	3297	0	0	0	0	0	0	0	0	6820	4205	2774	0	0	2375	0	0	0	5369	0	0	0	0	0	0	0	0	0	0	13248	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2466	0	8069	0	0	0	0	0	21268	1317	0	0	0	4910	Phytochemical	0.7222222	1.2777778	0.055555556
28	C18 H23 O13 N1	462.1242	462.1248	-0.02782502	462.1242	4459	5131	4489	2477	5221	5753	0	0	6493	7177	4986	3190	3762	0	2901	0	0	9225	4311	11448	20025	3160	3107	1895	0	0	0	0	0	0	1924	1236	2124	1219	10132	0	2068	0	1071	4090	9773	0	0	0	0	15619	40902	0	1183	0	3616	3037	3614	0	4540	2716	1322	1008	2709	2261	0	10533	2889	3603	1911	2542	2655	1335	7496	3947	6399	1737	2026	2887	3237	1085	0	3027	0	3206	1366	14188	0	1346	3487	0	0	1564	3219	0	0	1885	0	3618	2846	0	5804	3955	6420	2648	0	2769	2058	2568	26181	1790	4173	0	0	7221	Phytochemical	0.7222222	1.2777778	0.055555556
16	C22 H23 O10 N1	462.13947	462.1401	0.037137117	462.1395	113399	114947	104847	108888	93382	61221	40003	59818	117521	385851	164906	37574	151793	50985	47698	62872	36705	139930	129913	270008	285141	233910	55840	70834	48215	150900	29087	126799	52171	44131	47318	50340	66427	43561	466282	35170	68636	44597	43393	234739	169239	50475	3035	350	0	193366	196557	0	56005	45686	107674	118602	69326	310	119295	79228	40103	70436	71081	41456	74357	152083	154056	101665	36086	108306	56881	33936	159031	216374	197971	48139	47586	39480	38239	46231	0	38355	66081	163654	50207	147651	51701	131080	97820	56076	61960	52897	51171	75632	72259	110666	89079	160180	265178	565	101607	104309	68981	70868	70744	65009	30450	77655	152338	64082	78987	427	48846	146970	Phytochemical	0.45454547	1.0454545	0.045454547
18	C22 H23 O10 N1	462.13947	462.1401	0.064617656	462.1395	95559	94723	88880	78888	74175	57577	29401	52804	89164	357968	143448	26958	143242	50721	46565	51821	23340	125451	119061	248747	216202	195279	49475	60271	45820	131122	27631	107505	52825	33121	39318	34063	62401	34059	380607	35510	50377	34811	31481	207883	133720	43471	3551	0	0	196685	166417	338	48739	31124	91850	90097	66379	401	115541	71973	40185	50651	45476	33150	53313	134826	165139	89777	36068	106548	57200	29662	129408	174070	162979	43821	25398	25502	25728	34854	345	31495	56585	115756	46823	131029	40437	117141	92083	66312	52773	48418	47162	37404	68956	92522	97357	141003	239223	450	95595	98417	77914	71628	70234	55777	23694	67519	117133	46990	69313	394	35602	145235	Phytochemical	0.45454547	1.0454545	0.045454547
28	C22 H23 O10 N1	462.13947	462.13998	0.004788977	462.13947	4585	6070	2708	2521	5554	2163	990	0	4299	21218	5127	1316	10145	1583	0	0	0	5683	4999	12554	10359	7485	3513	3425	2794	5858	0	4882	0	0	1289	0	2320	0	18157	0	3471	1629	0	8269	7379	0	0	0	0	7093	10676	0	0	0	4553	2910	2516	0	6206	3635	1681	1340	1126	0	2626	6329	9555	3368	1656	5090	2584	1130	6632	11665	12478	1528	0	0	0	1129	0	1372	1890	4905	2465	6210	2531	4726	4413	0	2527	3130	2494	1095	2358	2690	4058	7150	15635	0	3837	4353	3271	2442	3502	0	1254	2253	7002	2773	5007	0	875	7443	Phytochemical	0.45454547	1.0454545	0.045454547
10	C22 H23 O10 N1	462.13947	462.1402	0.043427117	462.1395	43048	46960	40479	39043	32675	20670	15441	24622	38699	135194	84588	18732	49325	15423	19705	31837	18937	38834	47649	88676	118719	96547	26140	37299	12822	49504	12082	35034	22460	16876	18946	25096	31764	20011	172234	17532	31084	16742	22156	75266	91191	18763	0	0	0	79548	101143	0	25183	23548	42906	40180	21794	0	52480	31593	16450	25329	23437	23969	23883	60892	58167	41534	15549	43555	22052	22369	71156	78462	93080	20650	17649	20167	16154	21361	0	15965	32915	47302	25986	49076	19456	34322	33391	19059	23545	16274	17358	30590	29600	32618	36477	74527	92334	0	49254	44810	28617	33548	26814	26114	14253	34147	51962	20557	25702	0	21433	61326	Phytochemical	0.45454547	1.0454545	0.045454547
12	C22 H23 O10 N1	462.13947	462.1402	0.049379624	462.1395	67145	73453	65797	60869	55953	35707	31406	42945	56727	213284	110952	24898	80245	24658	31709	39171	33485	66319	73196	174927	187091	176205	40856	49265	24780	83056	28615	74599	36976	30767	38479	31456	42658	33426	289128	35351	46845	32372	35731	145832	188915	28108	900	0	0	124229	161728	0	35686	44147	66452	63560	33761	0	75879	46327	24742	45981	39735	37817	38454	105680	98924	58411	23592	63786	36525	37125	104575	133987	160449	35712	28148	27658	25127	30561	0	29913	38553	78392	33253	94120	27946	73989	50511	26843	44458	23576	33589	76501	45404	65310	64894	117157	119490	0	74984	74097	41153	46923	42648	42550	28356	49795	93053	36512	43185	0	30307	88030	Phytochemical	0.45454547	1.0454545	0.045454547
8	C22 H23 O10 N1	462.13947	462.14026	0.06030002	462.1395	22752	25801	18039	24615	17215	9049	8471	12585	21849	71898	43284	10271	34430	7532	9066	11932	11263	19165	24544	45825	62301	50795	13196	16135	3770	17090	7417	19787	9884	7594	7335	11712	11856	9434	95615	8592	12224	8723	15620	38022	104676	8465	0	0	0	38770	57459	0	14261	11658	24298	27038	10711	0	30009	18331	9592	12998	14015	13181	10362	27494	36576	24639	7596	21948	11794	12973	33306	28902	57535	11295	8540	9193	6878	13145	0	6423	18292	27353	12377	23300	9363	18541	19199	8592	14051	9431	9336	22267	0	21719	22074	39749	48681	0	19725	21557	15913	21990	19997	12507	7609	15846	20991	10208	16496	0	7881	33250	Phytochemical	0.45454547	1.0454545	0.045454547
24	C22 H23 O10 N1	462.13947	462.14005	0.017368918	462.13947	10693	9267	10410	11342	12854	11055	1590	2748	15521	42009	11829	2702	22966	4097	6181	3707	2313	19691	17287	21506	26810	19683	7236	4230	3441	12140	0	7023	1693	2103	1724	1475	3642	2794	36174	1453	5409	1123	2587	18307	12487	2053	0	0	0	25964	36060	0	1212	2243	8457	9552	9559	0	20293	7858	4916	3534	2089	1522	4471	15946	26848	16757	5166	12656	4538	2133	17946	23831	24337	2954	1507	0	2582	0	0	3656	7809	15583	4843	14722	1733	9327	14004	4886	7648	3708	5316	0	3284	5115	5303	17062	39420	0	7920	8097	10535	9339	11332	3678	2201	4194	13422	3799	7030	0	4931	26536	Phytochemical	0.45454547	1.0454545	0.045454547
22	C22 H23 O10 N1	462.13947	462.14008	0.012697476	462.13947	26628	28025	20027	23894	28679	23003	7050	9031	27822	88361	36512	4638	41517	17108	10386	15910	5771	42797	31875	53017	66762	55220	16682	14441	13098	30627	5375	20322	7093	5212	4988	5432	10783	6872	85577	6815	12875	10151	5675	51087	39858	12189	0	0	468	63478	66847	0	11228	5867	30539	17908	22795	852	35791	19656	15448	12257	12213	7690	11868	42403	40250	34437	11751	24337	11951	6411	41575	56575	53893	8528	5314	3104	3938	8372	350	7886	17190	30966	14924	46789	8788	23305	36061	19167	14329	11547	14203	8956	12529	18634	18851	48125	81195	0	22234	19957	20939	23774	24554	10369	6236	10250	52962	11097	23889	0	8032	52054	Phytochemical	0.45454547	1.0454545	0.045454547
14	C22 H23 O10 N1	462.13947	462.14017	0.03690849	462.1395	92630	102764	95364	89959	67555	46180	43264	59905	94903	331956	155102	30792	114718	44407	50370	56262	47921	96740	85639	225401	255856	234515	54208	72641	39669	129778	31599	109273	37958	45931	44691	55629	64365	45495	423075	48027	59117	37724	48969	196873	175167	39442	0	0	0	160080	221961	0	43455	50506	95217	91301	50232	244	118138	66998	38052	70629	76869	43637	58352	138595	136470	79382	37329	88822	53555	49496	167015	201896	189077	51697	44553	42129	38576	42621	0	40010	47123	140614	44981	123369	43897	109115	79718	37342	55308	44829	47673	82563	70861	81624	84795	159539	192075	0	101299	86222	64085	62082	70468	67473	34605	78164	132136	59058	55172	0	37351	126991	Phytochemical	0.45454547	1.0454545	0.045454547
20	C22 H23 O10 N1	462.13947	462.14005	0.017994503	462.1395	54899	57814	55963	53735	55262	45223	15962	24937	59182	192859	70392	15159	93949	29755	27592	29840	15813	86203	75350	136617	145938	120548	27580	35145	29422	79221	14029	66137	21983	14564	15171	17749	33463	15924	216994	15304	40178	16833	18446	111520	82949	28233	2371	0	0	123136	137133	0	20974	17688	56013	59745	47704	489	76317	54576	28460	27962	27793	15178	28410	92403	99818	64321	26725	66575	35264	13161	93264	108271	108599	18717	17970	12299	11649	16452	377	19302	41101	81417	22579	79265	24256	73870	69552	32161	36126	24994	28876	27173	35270	63780	43405	95090	128636	573	68930	63447	42939	44247	49559	33172	13853	29513	90061	32061	47165	0	21645	98582	Phytochemical	0.45454547	1.0454545	0.045454547
6	C22 H23 O10 N1	462.13947	462.1403	0.03908704	462.1395	6745	8378	7912	9837	7537	5019	2653	3472	11725	29783	17800	3379	14359	2467	3131	6047	6446	9398	10282	17102	34402	21994	4710	4889	1298	5108	2087	9334	2173	1981	1978	4190	5543	2473	36715	3507	4596	3511	3761	12718	23431	3925	0	0	0	11909	26123	0	4685	3368	8479	8538	5994	0	13582	8164	3367	4849	3708	5549	4307	10463	16957	8461	3376	12460	4986	6203	12588	10406	20049	3620	2687	2542	2884	2053	0	2515	6860	10214	4127	8448	2776	5722	10447	4306	5658	3769	5825	7701	0	2934	7156	16658	16418	0	8472	7374	8490	11335	10083	5301	1934	5012	8485	4150	7697	0	2678	16130	Phytochemical	0.45454547	1.0454545	0.045454547
26	C22 H23 O10 N1	462.13947	462.14	-0.005697188	462.13947	6993	4554	4339	5977	6077	4126	0	0	7610	25249	5546	0	11411	0	0	0	0	10257	8823	12127	18129	11000	0	0	0	7476	0	2965	0	0	0	0	1463	0	18989	0	3156	0	0	10769	11081	0	0	0	0	13043	18507	0	0	0	4259	3839	5384	0	7320	7127	3087	1891	0	0	0	6180	14760	7522	0	8041	0	0	5853	18193	15086	0	0	0	0	0	0	0	3903	6805	2985	8637	0	3665	7451	0	4390	3061	0	1558	2193	2757	5706	11746	22998	0	4320	0	5120	4425	0	0	0	0	6566	1905	0	0	0	15968	Phytochemical	0.45454547	1.0454545	0.045454547
12	C21 H23 O9 N3	462.1507	462.15128	0.003453761	462.1507	39094	0	45404	0	25552	25428	34706	0	31337	48804	30457	39387	66416	13954	40332	0	51164	37972	48375	48606	50015	81425	43244	52913	0	9888	25660	21119	42199	35151	0	0	57304	0	66643	41715	0	38006	53685	61096	67105	26520	501	0	0	72007	74013	0	0	42162	0	0	27613	0	35880	21299	23396	46335	0	49277	48573	0	41503	35828	19137	39668	0	65254	25206	0	32118	42554	31277	30993	27384	0	0	51939	0	28581	47903	36642	35236	26500	30424	21646	51375	26254	32561	102749	33713	57708	0	0	41947	0	51643	43326	21346	23078	21833	50545	32234	0	64791	0	19410	0	38737	50312	Peptide	0.42857143	1.0952381	0.14285715
16	C21 H23 O9 N3	462.1507	462.15115	0.1493782	462.1508	26005	24171	21056	17055	12777	14845	14268	23430	19197	12949	9621	15531	26227	6887	15142	26435	21681	26340	23951	25722	12984	33567	19069	24460	18364	6044	13082	8235	33122	15130	15733	19175	25950	18610	17739	20169	23086	19197	23934	23901	17557	12500	383	0	0	25944	25145	0	21379	16794	19465	17181	18483	0	17853	10425	10291	29694	16133	15209	19670	16307	17483	26370	7903	16070	11877	22791	0	12604	0	18836	14688	25038	17637	12744	0	14479	23585	15501	17889	14477	14274	14542	9014	10920	31472	15934	12599	40453	17471	32145	44906	12781	15740	0	22163	18576	8525	17042	6672	26706	14229	36862	15754	31357	12911	0	23832	19219	Peptide	0.42857143	1.0952381	0.14285715
14	C21 H23 O9 N3	462.1507	462.1513	0.09893079	462.15076	40862	32315	33820	31423	20953	22554	27077	35038	27152	29943	12522	22036	32531	11412	29636	36624	35040	34672	31446	37781	35196	66790	29241	39767	0	7007	25094	14698	35064	26888	25762	22312	35319	22542	42787	29363	0	31456	0	34389	40128	19821	0	0	0	39238	36012	0	32228	28256	32834	33052	22667	0	33706	12744	17061	36804	40653	28021	38967	31709	27377	32377	16024	28091	21626	0	0	17067	19082	28724	23996	23645	26599	22997	0	31808	34794	24650	34277	29616	0	20879	18780	18159	0	23741	22225	75482	27133	0	0	28874	30285	0	33838	30267	16672	13909	19458	36531	23912	33812	19983	0	17743	0	31697	29911	Peptide	0.42857143	1.0952381	0.14285715
6	C21 H23 O9 N3	462.1507	462.1515	-0.006712518	462.1507	25222	24558	17417	24899	14476	10291	10554	24179	16923	31477	20025	17311	23708	6049	13663	28136	20785	18107	23468	26249	35951	35154	18260	27108	7515	4548	11335	9436	18595	17097	18373	18101	21073	15504	37660	15383	24522	14944	29401	23659	41661	12345	0	0	0	27977	41101	0	22361	19798	24318	21386	11899	0	21900	14461	8381	23468	17564	22408	25698	20434	23087	18944	8031	18457	13068	30254	11236	11018	20938	17410	17391	14164	12365	14363	0	14635	19710	14816	14611	17821	11746	9217	16001	10131	20203	17012	14497	37974	11987	19205	46957	20840	25079	0	22345	20757	9186	16370	16036	24233	14426	26350	29982	25897	12410	0	13764	22723	Peptide	0.42857143	1.0952381	0.14285715
8	C21 H23 O9 N3	462.1507	462.1514	0.032190032	462.15073	44591	48625	41795	42587	23694	15286	21936	0	0	51603	34483	27878	0	10303	26846	48404	0	29553	0	0	60396	71635	37142	58800	18708	9501	22262	20198	0	0	30937	36010	41824	34808	62269	33478	43575	30921	52382	56514	70204	24322	0	0	0	62344	0	0	48121	34922	0	47296	0	0	35352	21904	16903	44746	39544	43158	54317	0	40184	0	16168	33295	27303	0	15385	22065	34666	41635	35955	29820	25305	30900	0	26780	49312	28511	33471	36742	25552	30931	0	16169	0	29900	24957	73467	20992	44715	75747	38797	47687	0	49807	46218	18867	31829	28689	36698	0	56531	39057	41096	22996	0	31814	0	Peptide	0.42857143	1.0952381	0.14285715
8	C19 H27 O12 N1	462.1606	462.1614	0.07434675	462.16064	22975	20838	13438	21686	15203	11350	12971	23939	20696	20217	16079	15449	31188	6591	17655	22888	25299	25289	29642	28645	29433	19216	22404	25735	8203	8442	12908	5007	21087	18473	16030	16873	18849	13987	26480	19236	16594	14303	19152	23760	25054	16726	0	0	0	26294	41531	0	17081	20076	17900	17957	14136	0	32411	26787	11998	10560	13450	14938	23454	10788	30546	24510	12679	21172	12997	19149	10589	12692	25694	15824	14343	20668	20080	14980	0	12804	18975	5619	17197	14543	10366	5610	30579	18646	13718	12768	14421	25657	0	9950	25575	13413	20461	0	18426	24818	17582	20308	25822	22742	17052	30875	16763	19573	21963	0	9552	29819	Unclassified	0.6315789	1.4210526	0.05263158
10	C19 H27 O12 N1	462.1606	462.1613	-0.016696202	462.16058	46027	48631	42191	41892	38908	29859	29919	61201	62773	56994	44311	39936	90367	17510	51135	56760	45970	71215	74767	76812	83655	60536	60848	68225	18501	14748	24727	18265	49614	51243	35774	36926	47198	35777	63638	49281	40978	34854	36293	36233	53191	41580	1144	0	0	68224	96775	0	35053	52431	45571	40109	35503	0	97295	54349	26062	38331	46538	42001	65869	38045	65034	59743	25000	51370	35359	33268	43404	38366	40478	43475	41391	54135	42155	36617	0	35917	40266	27319	42637	44906	24352	16537	71792	38925	32856	29749	33830	28509	11128	31410	61890	38818	57565	0	44605	68132	45287	43535	58111	62214	36367	64125	81230	39117	59611	0	19918	73246	Unclassified	0.6315789	1.4210526	0.05263158
18	C23 H27 O9 N1	462.17587	462.17645	0.025132803	462.17587	174577	160542	155188	161025	120968	97070	78183	139928	110442	464601	222654	69965	182851	82323	99026	128481	77565	170817	196212	422607	379759	230605	111423	151203	112062	302822	63502	198294	147083	106860	120029	126255	137789	132275	484116	123803	142954	86912	82119	310869	214223	83619	5672	0	0	226811	173932	491	122289	97598	169625	163873	106098	813	172057	104145	64968	128141	120550	79603	140859	207521	183587	110101	54884	145633	99374	86604	270021	408918	345744	119075	94574	104705	80912	104575	282	82801	116257	133446	86823	147018	90658	197946	144066	90400	105441	83575	103958	119174	173092	174016	207796	154954	262883	885	157433	165799	95138	90395	100654	124141	70216	147724	126170	114368	88677	328	92978	172691	Phytochemical	0.39130434	1.173913	0.04347826
8	C23 H27 O9 N1	462.17587	462.1766	0.004346567	462.17587	34508	35435	30172	34873	17994	13092	14252	24797	22666	94898	45891	15835	31832	11265	16487	26997	17276	24293	31486	77891	86955	58767	18653	32778	12686	30504	12814	34727	17514	18960	16759	28597	23267	18835	118943	17661	25955	14216	21519	64461	115998	13139	0	0	0	46720	45855	0	24822	23894	35309	38229	15691	0	28682	18661	8261	20944	15127	18923	24962	42094	29918	26782	9844	25077	14646	20337	37130	63374	68672	23461	17545	16106	14672	20174	0	13171	21199	33825	17927	22289	16212	35804	15143	9683	21301	13390	14044	30048	28713	33044	40159	38056	58964	0	31467	34868	17250	20602	18355	25224	13090	34629	16876	19887	15459	0	15994	27158	Phytochemical	0.39130434	1.173913	0.04347826
14	C23 H27 O9 N1	462.17587	462.1765	-0.012982482	462.17584	127961	123152	119769	122466	78920	65541	72897	116243	83822	285489	156734	63574	103146	46522	81908	107179	95489	81713	106338	291792	281167	196107	79079	109435	88073	187663	63695	167023	90524	96381	79103	108475	109440	86924	329087	97966	103294	71820	87645	204513	180181	65318	0	0	0	170163	159919	0	98027	103604	123167	108288	64484	337	95938	58590	43972	116070	101830	86164	125731	152710	116292	77119	41113	79191	65225	75956	232347	275268	231112	90762	80163	83422	76187	80382	0	74698	86158	87275	74384	103013	81985	128332	72750	47119	83236	64203	74982	139958	118042	121374	161666	105116	165828	664	128496	117693	61460	55488	59189	109051	64624	137531	120506	101980	55445	0	76131	105207	Phytochemical	0.39130434	1.173913	0.04347826
28	C23 H27 O9 N1	462.17587	462.1764	-0.039566163	462.17584	4893	5267	5437	4442	4772	2916	1504	3150	4552	18439	4914	1415	7255	1614	3895	4677	0	5728	5493	8265	12925	7297	3765	4969	0	12741	1493	6791	2806	2105	2615	2506	3182	3301	13161	3860	3824	1850	2753	6805	9052	3019	0	0	0	7872	7222	0	3307	2327	4693	4021	3967	0	5843	3214	1070	3881	2840	2013	5605	5850	8011	3881	1369	5578	2253	3120	13043	23549	21935	3467	1575	0	2334	1542	0	1701	3931	5406	2887	3862	1989	4322	6566	0	4945	1962	2067	3868	4891	7536	6985	2944	10267	0	3421	6568	2271	2771	4049	4274	1864	4486	2358	4031	2132	0	2809	8163	Phytochemical	0.39130434	1.173913	0.04347826
6	C23 H27 O9 N1	462.17587	462.17664	0.017480278	462.17587	15167	16455	16397	11953	9335	7402	4242	13007	10958	47622	19538	8025	17000	5437	7764	14221	8230	15560	16238	35883	43625	26228	10539	12677	6510	15278	5470	15276	9362	7475	11055	10173	13874	10439	51944	9215	13441	7222	10863	25994	30215	5449	0	0	0	21695	28866	0	13749	10842	15275	17099	8523	0	15503	7807	4573	13325	6479	9932	13866	19512	18021	10961	3134	12170	9155	9401	21672	22530	32128	11652	10150	8330	5470	8667	0	6905	10509	13877	6255	10073	6879	14089	9452	5837	10311	6368	6588	14048	12642	32028	19699	21181	30399	0	14273	15179	8298	11638	10617	10760	6975	15508	11106	11574	8031	0	6593	14840	Phytochemical	0.39130434	1.173913	0.04347826
26	C23 H27 O9 N1	462.17587	462.1764	-0.03002206	462.17584	8825	7628	7968	7805	8897	8074	0	0	10095	27380	9827	3126	16815	4344	6312	0	0	17283	14535	14127	23322	11801	5709	11177	0	19518	0	8594	0	0	5193	0	4603	5976	28688	0	7007	2557	3222	17991	13578	0	0	0	0	12630	15942	0	4761	0	8900	10225	5820	0	12471	7590	0	7424	2605	0	7361	6851	14209	11727	0	10393	4157	2774	22062	38557	39362	7005	3716	0	0	3727	0	3074	8106	6617	5569	5469	3010	7909	9746	0	5660	4060	3464	7382	3360	10654	12973	7691	21477	0	5806	8643	8082	6588	0	0	3584	6225	10210	5685	6341	0	4087	17770	Phytochemical	0.39130434	1.173913	0.04347826
10	C23 H27 O9 N1	462.17587	462.17657	0.005675401	462.17587	52969	53876	47319	48297	28538	24423	26209	44635	34208	147631	63594	20973	43608	20231	25827	43962	26900	35641	47706	129526	130925	90615	34695	45454	24803	72364	23634	62119	32188	36262	32136	39189	44312	26064	176312	34487	43099	21811	34744	92151	81306	22684	0	0	0	81746	68503	0	40164	32807	52691	53927	25342	0	46332	25610	18308	43812	39315	34294	40947	58170	41867	35977	12367	38573	28250	36568	77792	111904	90883	34072	33025	32711	22752	29833	0	24438	33808	33702	27873	39847	25569	53564	31762	19870	33546	20669	23188	51931	55081	55312	105358	59939	83055	0	56356	51416	28310	24204	24414	42949	23450	53932	50794	37968	24425	0	27804	52966	Phytochemical	0.39130434	1.173913	0.04347826
22	C23 H27 O9 N1	462.17587	462.1764	-0.022721864	462.17584	59534	56091	59144	56719	65248	41015	23024	37905	60095	155289	85612	20845	77152	37074	31732	33972	24561	86404	71694	146025	149103	83856	44099	48320	32703	132586	16361	64215	34862	25558	31416	35273	41485	31996	179607	28770	40886	24039	25367	98603	69788	27082	7066	0	0	95733	86284	0	31084	30085	55316	53674	50480	373	64341	47631	29485	46496	32861	15881	41497	78605	78547	45957	20346	56633	36090	21443	119956	199755	159754	32471	23797	21472	22190	25189	0	25307	43365	45703	36736	51957	24695	66177	72643	34293	40858	32707	30389	37392	46745	57704	55533	62062	91743	0	54056	59373	43816	44283	47736	41091	21977	42733	66776	34987	42689	0	26159	90577	Phytochemical	0.39130434	1.173913	0.04347826
24	C23 H27 O9 N1	462.17587	462.1764	-0.044588324	462.17584	22462	16634	19294	15361	26825	18172	4909	14297	23194	60166	24664	9072	35139	12889	7874	15002	8655	31338	27790	41149	52704	23219	15817	16611	7211	55596	2744	21744	9435	12273	9749	9476	11520	11512	63518	9324	13978	8069	7489	37730	31486	8467	0	0	0	30891	37431	0	11952	8823	21472	19164	12796	0	26267	18323	8544	14893	9355	3650	13652	22474	31430	20524	7872	27071	15108	7716	49373	68940	66099	13502	7481	7809	6028	8111	0	9973	19609	17683	11346	23592	7510	22652	26331	12928	12716	14385	10860	11463	12007	13426	16263	24328	35555	0	20942	18424	15527	16067	19520	11365	7796	12045	21547	11955	19502	0	9069	33004	Phytochemical	0.39130434	1.173913	0.04347826
20	C23 H27 O9 N1	462.17587	462.17642	-0.004313654	462.17584	129715	118942	123255	107761	117869	94883	48788	95467	101726	349194	166899	50975	165034	69401	71044	85990	47588	139825	149845	278112	301786	176773	79224	103305	70200	269428	46194	145281	81371	70727	74115	67846	98805	76054	379457	72986	106682	56483	44262	221679	151189	66290	6328	0	0	186176	172207	0	85800	72582	119754	126377	80871	785	129836	100202	53488	88047	79893	45911	98540	145625	156924	101006	50330	124162	86342	55062	209111	333308	275098	84516	68187	59229	54602	62036	289	52588	85189	105777	73593	97657	65323	165479	114647	65832	80715	59727	68804	80039	108331	129297	127838	113584	176853	737	114484	127423	75840	76154	86344	87236	45140	103647	117987	84316	74551	0	60429	153483	Phytochemical	0.39130434	1.173913	0.04347826
16	C22 H27 O8 N3	462.1871	462.1877	0.060983893	462.18713	29613	28307	29474	28203	20487	19802	0	44778	20714	19953	9703	24386	20782	9086	37001	44013	31579	22547	34833	28503	19581	43710	35959	54034	46683	0	27468	14824	42764	22569	42403	37415	48458	32963	27484	29626	50091	31946	37231	28040	17721	16874	559	0	0	27974	20835	0	37555	30892	25239	33371	24822	0	19565	12350	16386	46424	39311	15740	41893	18477	16578	16662	15037	22230	23470	32755	0	11357	0	32119	31244	25383	28908	25803	0	23531	44446	19279	28464	20299	30098	14577	15248	16582	40438	26750	24176	68110	40587	55527	74970	18931	27771	0	32420	31380	14435	10689	12822	43359	23902	30534	34694	50204	18112	0	44438	29892	Peptide	0.36363637	1.2272727	0.13636364
4	C22 H27 O8 N3	462.1871	462.18796	-0.037613414	462.18707	9510	10340	9142	9288	3751	0	5537	13360	6410	7631	4828	6653	6390	2691	7538	12985	10585	7653	7882	9161	8707	15017	9866	13385	7612	2670	7596	0	8543	8516	7603	8480	10533	6271	11612	8675	11711	8027	16565	8949	13674	5442	0	0	0	12260	13722	0	10402	8375	9466	10207	4065	0	9286	5819	4401	10301	6095	8943	12318	7627	7130	6934	2706	5587	5790	15489	4169	5143	5745	0	6720	8329	4620	7638	0	6638	12133	8658	8877	6561	6332	4839	4186	4030	9569	6098	6352	18256	10067	13419	20666	7077	12331	0	7403	10834	5081	6511	7217	11784	6961	14681	5772	10306	4460	0	8670	6851	Peptide	0.36363637	1.2272727	0.13636364
6	C22 H27 O8 N3	462.1871	462.18787	-0.035939664	462.18707	28663	35768	33906	35542	13576	14803	26448	43514	15947	32929	12141	22858	20260	6153	25494	48052	31146	20799	25347	37293	41602	49575	29238	51358	25633	7009	20814	15777	36779	29316	27380	36811	40031	31534	43087	28832	37113	25145	43381	32061	42996	19227	0	0	0	41606	42488	0	40400	33134	37509	30620	14751	0	24561	12432	11406	43131	22156	28149	42058	23597	20531	18611	11594	19245	19461	49179	9184	18532	20501	29839	27777	24291	18101	24997	0	20634	28239	27715	25272	21713	24608	21482	12847	11896	33466	20250	19091	68946	34157	49339	70433	25825	38215	0	34586	30295	9978	14101	19632	32958	22121	48430	19338	35249	12358	0	24697	24502	Peptide	0.36363637	1.2272727	0.13636364
18	C24 H31 O6 N1 S1	462.1945	462.19482	-0.021770686	462.1945	128342	111307	124417	107424	78619	103014	67533	166112	141152	192541	72117	54336	229694	54270	173507	96641	36871	203221	221274	203611	164934	122929	138925	140228	131670	45728	40701	41615	173635	118012	134555	121132	145840	108967	246921	128880	151179	105575	36880	131703	29548	77320	2945	534	0	135625	53769	0	122962	108656	111557	113199	91988	302	353017	112413	65428	101427	169606	32828	120003	93858	168646	159762	49956	126546	90894	35840	52521	99821	40646	116726	105146	154427	47421	97269	0	97013	80606	47230	90943	71201	80165	54399	89958	87543	64413	46903	84162	26414	85997	161961	189956	50658	93589	493	124118	148759	82460	65562	70856	133806	75281	135469	153256	88096	76855	0	70200	175730	Organosulfur	0.25	1.2916666	0.041666668
10	C20 H31 O11 N1	462.197	462.19766	-0.04896018	462.19696	23011	20471	24322	17497	12368	13745	19090	47063	17997	22666	15163	20820	29556	6619	31394	37550	22686	28703	27980	33461	30540	20000	32650	39539	25524	10585	14249	10348	34315	43759	28076	25735	27647	26631	25833	39522	28088	23137	20181	20516	15281	18134	0	0	0	29986	27588	0	25238	35853	27384	23230	12285	0	34773	18941	11463	29111	34471	16344	34025	13939	21360	19522	10802	22117	13610	18562	14856	10927	11043	30938	24488	40479	18314	25036	0	23987	22382	10087	25044	16700	18865	9102	27599	18252	22204	9326	19060	19151	10455	16743	37759	8866	20622	0	21934	32500	15284	17951	23880	35002	19436	37045	22047	26607	22208	0	19953	25101	Lipid	0.55	1.55	0.05
12	C20 H31 O11 N1	462.197	462.19763	-0.06634279	462.19696	38957	38844	32455	26317	30379	31014	43097	102656	45467	29406	25985	36768	61480	16858	73175	44905	47926	58471	70520	64649	74753	46443	80230	51320	56864	28803	18011	21283	80067	40685	56085	35507	63342	37981	65333	63748	40773	56682	37459	36729	19041	36495	729	0	0	57564	39226	0	37754	67207	34387	29913	35674	0	92121	43784	29166	43536	71264	30393	69109	36343	55748	53929	22874	52319	30567	39897	18984	34059	34802	48890	43948	67005	32576	39521	0	52541	50383	30859	56647	42668	45012	27376	54379	38164	44294	19366	38379	28853	18725	39572	66526	31514	23824	447	31117	63859	32709	36778	45727	63372	42791	58932	27362	44617	44994	0	40320	57816	Lipid	0.55	1.55	0.05
12	C24 H31 O8 N1	462.21225	462.21292	-0.047667556	462.21222	31101	40508	38933	40195	22672	23827	29629	53244	25122	92662	43734	28019	22431	15767	27882	35466	41370	33313	35728	107471	98264	76398	34526	43790	29888	55578	19738	43390	42372	30461	40561	39637	45069	34819	123982	42750	44274	30693	47458	71272	65827	23572	0	0	0	61537	36847	0	43322	42958	48404	41437	21677	210	30490	13711	16904	42031	19221	33329	29705	44652	29539	21316	10906	25231	25683	46465	39148	103005	91927	31327	38126	30258	32016	36581	0	31404	36975	22333	28313	25252	23700	44531	19243	16205	39787	19788	23312	77163	54156	43360	57876	33628	55316	0	44579	52498	20326	14002	21400	44514	23319	47746	20357	40931	16207	0	30310	30456	Phytochemical	0.33333334	1.2916666	0.041666668
28	C24 H31 O8 N1	462.21225	462.21283	-0.007866013	462.21225	7386	5523	7676	7997	8812	3789	2263	4977	6182	15301	8239	1913	11543	5003	3561	7592	4844	8500	14711	12546	12903	6494	4366	10385	2256	18008	2059	7373	4369	3915	3887	5168	6888	4341	12645	3653	7216	2631	5751	6926	9989	3320	0	0	0	4505	6281	0	5303	4872	6474	6372	7390	0	7005	4939	2294	6675	2588	2353	6723	4774	6665	4993	1681	6916	4965	5269	16855	25361	31427	4893	4479	4129	4590	3620	0	1998	6080	3924	5275	1903	4193	5071	6592	2664	4993	4077	2553	9351	5901	6682	11054	3982	3848	0	9522	4903	3702	5680	4754	6078	3351	7686	2651	6946	3340	0	3709	10361	Phytochemical	0.33333334	1.2916666	0.041666668
8	C24 H31 O8 N1	462.21225	462.21295	-0.073701024	462.21222	24348	24965	21452	26369	11669	9614	14038	28325	9327	58905	23975	14221	14368	6864	16519	24630	15878	11153	21028	62054	58996	31894	16761	27504	17533	25222	13887	22744	28082	21801	22954	27934	26494	18538	70291	23435	31253	14276	19762	38432	29751	10537	0	0	0	27954	23620	0	27180	23170	22482	32246	11616	0	16935	7457	7815	28887	3717	10853	24103	18225	14559	12869	5623	11704	13526	20270	25193	46088	41056	23922	22803	21795	14374	23302	0	15412	19838	18412	12817	10827	8701	25884	8764	5926	15057	8886	11687	28347	24772	19334	37729	21780	36688	0	27409	25985	8443	9060	6670	25841	11612	34973	12277	23860	9176	0	13171	13590	Phytochemical	0.33333334	1.2916666	0.041666668
24	C24 H31 O8 N1	462.21225	462.2128	-0.034233753	462.21222	51775	51087	53951	55133	54483	0	16244	35801	48104	130252	69702	22189	0	32872	31659	42302	25106	66162	78401	122244	112931	59836	37500	57661	31458	138602	11463	61577	37267	33802	32608	0	40946	39985	124759	36816	51994	0	27676	81876	62160	31078	0	0	0	72459	57457	0	36360	30963	58641	55335	43462	0	49228	52331	20367	0	32981	23248	46111	53334	62745	43401	22325	61959	38843	32257	128765	161764	161766	45955	32150	31416	24431	30488	0	32828	39876	30366	39924	37089	28423	56312	57932	29957	39993	31211	36201	44148	45702	52827	69692	36275	62091	0	49430	55842	36251	44496	47060	44127	23032	44199	37577	40079	39125	0	30683	76672	Phytochemical	0.33333334	1.2916666	0.041666668
22	C24 H31 O8 N1	462.21225	462.2127	-0.003474846	462.21225	135086	121272	121888	130881	126950	0	57005	112564	99975	263422	165214	66550	135824	79421	93600	113147	76996	153941	146322	317614	287002	162010	101999	134889	0	317770	50507	146606	115405	90405	102041	0	119658	112477	262362	108870	130355	70067	75106	195423	140070	80027	4424	0	0	161200	133583	0	108764	95338	128515	122407	94087	695	124397	101148	61895	116653	92882	69665	124396	137744	135435	95238	53023	123983	91570	73356	265903	423464	364150	115368	102054	91619	58844	94532	1991	78500	106973	86939	90261	98206	75920	123754	124064	74840	96858	73117	81618	92527	137030	168037	176729	89252	155039	0	124006	135719	80662	85790	90404	138086	60583	133280	90881	106788	97687	0	78967	153660	Phytochemical	0.33333334	1.2916666	0.041666668
10	C24 H31 O8 N1	462.21225	462.2129	-0.08514039	462.21222	39996	33146	29932	30149	17684	16350	19658	31956	18234	89160	37986	18147	20179	10186	22992	34526	20485	21393	27602	91295	82808	60039	21457	39108	23128	46839	20410	44099	29103	30103	26730	32811	39090	29347	89671	34752	39662	17530	22000	57456	45142	15752	0	0	0	43557	33784	0	39077	26556	40657	34515	16474	0	23918	12686	10150	36354	10252	14609	36656	30205	16422	18714	8091	20636	15636	30588	37706	74868	61060	33381	26073	30516	23884	30961	0	18597	22747	23015	19825	15186	16794	29373	12841	10295	22921	14333	18098	36697	45027	31726	52363	27019	54092	0	38100	33042	12070	14306	12551	37131	17650	39852	0	29601	8857	0	20770	19441	Phytochemical	0.33333334	1.2916666	0.041666668
2	C18 H31 O9 N5	462.21945	462.22003	0.2861178	462.21957	879	1702	988	1480	383	0	0	0	0	0	3699	0	0	0	0	0	475	551	0	0	0	0	0	0	0	0	0	44649	0	0	458	0	1551	532	0	0	818	272	0	0	0	0	0	0	0	0	0	0	0	0	912	2098	0	0	0	0	0	0	0	0	0	0	0	267	0	420	0	0	0	0	0	0	0	0	0	510	0	0	0	231207	0	0	0	0	0	0	0	651	0	0	33102	11994	0	15962	0	0	1345	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.7222222	0.2777778
6	C23 H31 O7 N3	462.22348	462.22424	-0.04173371	462.22345	13626	12611	10454	9106	3282	5785	8568	13406	5672	11907	6640	8445	8551	4259	12737	18146	10511	5866	11712	15025	13610	16270	10064	18428	14299	3095	6487	6139	12061	14819	12024	15903	14882	9357	13303	13501	12383	12908	11861	13227	12737	6322	0	0	0	12069	13067	0	15867	13229	12244	11506	4599	0	11845	16797	8618	19883	3789	3732	18824	7916	3402	5916	2698	6380	6435	12864	2023	8413	5534	9903	10385	12109	6155	9811	0	8601	11885	8050	9332	5214	6413	9583	3353	5584	12416	5587	7214	21324	22175	18461	27978	9742	13618	0	11157	12375	2208	13302	16597	11885	8149	16019	0	14774	5453	0	12275	5132	Peptide	0.3043478	1.3478261	0.13043478
10	C23 H31 O7 N3	462.22348	462.22415	3.48158E-4	462.22348	14066	16882	15080	18505	5118	9197	14048	17990	7972	13276	5529	8512	8633	5026	17005	16598	8735	6861	9742	21609	12757	27875	17339	24615	16245	3291	9197	6556	19890	0	14711	19075	23852	15156	18015	19268	21570	13305	12966	20706	10362	9058	0	0	0	16777	10399	0	19505	13685	17449	18458	9465	0	9269	10862	4974	23833	5462	9566	19319	8363	3824	8534	4062	8794	9077	16209	0	11052	4868	15343	13367	13903	11862	12520	0	9849	13763	9913	15018	7150	9028	10608	4502	5197	18135	7604	7602	28002	41426	29195	43760	11802	19188	0	12937	16038	4421	11400	11799	19898	10460	21406	0	20651	5039	0	16531	4662	Peptide	0.3043478	1.3478261	0.13043478
18	C21 H35 O10 N1	462.23337	462.2339	-0.18340813	462.23328	36682	35986	42042	37613	25992	30859	40438	56486	36303	35253	14875	22126	72228	23744	70758	45163	15262	60025	61532	40960	25504	30267	53529	55217	57807	4103	30479	12719	68795	47947	54721	46976	58890	49380	36974	53955	77516	47230	11063	17441	3726	32102	719	0	0	28480	6299	0	44519	48047	35762	31133	30183	295	101771	35917	22181	46833	46170	9626	45965	11903	46764	52632	28017	44943	40455	12801	2562	15835	4660	40810	42048	63233	21232	45498	0	39697	30943	13748	34377	11558	42824	19440	35274	36822	26471	16040	31130	9836	33339	47829	71517	9807	21043	0	39488	41842	23147	19943	28582	54407	27961	34348	13576	33934	22627	0	28795	47495	Lipid	0.47619048	1.6666666	0.04761905
8	C25 H35 O7 N1	462.24863	462.24936	-0.048921272	462.2486	12802	12876	12274	10914	3358	3108	9630	20950	1622	15907	8617	12648	885	1138	12385	16132	12901	3065	7330	26383	23628	12713	11073	17759	12276	10254	11275	4957	19141	16923	17813	17954	17583	15971	18885	16369	21266	9337	17332	13619	7868	5810	0	0	0	9095	5895	0	25701	14832	12344	12911	4037	0	2366	1106	4009	14418	0	0	13641	5795	1454	3578	2849	3808	5413	20357	5673	16853	11138	17033	14930	17546	13795	17192	0	12297	6388	6009	7707	1404	1988	11419	1776	0	7076	3696	6930	23137	20488	0	24582	7125	11951	0	10015	11582	968	1386	0	20484	8916	18518	0	11702	0	0	10604	2558	Lipid	0.28	1.4	0.04
26	C25 H35 O7 N1	462.24863	462.2492	-0.07235685	462.2486	35952	35845	38278	29443	45385	24525	13183	27261	36341	53750	40661	16378	45759	25201	29414	34697	17956	28884	41650	77955	71527	32347	29445	42452	28343	93635	10722	39608	29721	32272	29348	26718	36565	27664	62924	35537	39157	19787	25504	48494	39619	18242	0	0	0	34240	23101	0	0	25425	35212	32948	29996	0	39859	36810	16254	37344	23596	14782	50068	30866	42601	31389	11882	41110	28580	19808	82766	104039	108641	25839	26605	34475	14631	27784	0	21042	30995	20276	23138	19741	22340	32627	33775	16883	30076	21900	19493	36881	32607	37051	55304	18857	35579	0	35709	41912	23011	38027	37034	46259	21209	37706	17585	36365	31139	0	26843	30955	Lipid	0.28	1.4	0.04
14	C25 H35 O7 N1	462.24863	462.24924	-0.08033276	462.2486	14956	19528	16117	14556	6644	8250	11344	19205	4039	20921	14552	10917	5964	3826	12722	25954	19773	5477	7397	31062	26496	19550	13523	20007	14424	22224	12822	14145	20355	21261	20127	24975	24825	18360	30589	23458	23300	13685	18134	17277	10440	10134	0	0	0	14905	12606	0	24522	16531	12554	16843	8079	0	5173	3386	6051	19516	0	12785	34266	8667	4984	4085	4104	6177	12631	27784	15460	27720	24740	17333	18215	19116	18684	18020	0	11321	11679	0	8803	4199	6259	12423	7362	4628	14282	9995	9772	48318	31642	13121	39704	7406	18098	0	12245	8825	4148	2424	5318	23044	12848	16952	0	28224	3244	0	15228	3570	Lipid	0.28	1.4	0.04
16	C25 H35 O7 N1	462.24863	462.24924	-0.07050517	462.2486	29590	31249	30139	24458	13347	7794	25826	36091	11096	31527	23092	16944	12024	12154	20431	47536	40313	13764	24672	47281	45550	28183	21011	42605	24613	50119	25369	21049	25619	33680	31035	34424	39895	28816	35731	36525	37400	21190	39635	33972	30446	13815	300	0	281	20394	23016	0	36845	35655	33255	28895	18724	259	8355	8550	10728	35496	12135	22849	30352	16204	11639	8904	9537	12960	19294	40501	29513	43379	51619	24764	25776	31592	41145	30175	0	21995	26487	22154	20026	12963	18581	19647	15493	12158	26069	15294	16753	111190	42454	22382	42513	19766	28759	0	25405	27648	9942	11449	14606	42811	16914	26213	13279	31805	12354	0	25142	12459	Lipid	0.28	1.4	0.04
10	C25 H35 O7 N1	462.24863	462.24933	0.024992006	462.24863	14352	17230	12353	13444	4793	5594	11094	23064	3668	23025	10859	9434	2431	3855	11494	17332	12956	4160	8245	38501	28820	17129	13508	18174	15072	16969	11216	12502	21950	17322	19422	21263	31448	16980	35645	20948	27290	9444	16596	22060	7372	8545	0	0	0	18224	10383	0	20770	12880	17068	16806	4117	0	5602	1737	3966	25454	0	2999	13322	10595	2594	2818	1643	5309	6829	19591	11170	22841	13678	18107	16552	18342	17821	14784	0	12921	8567	8463	7469	1909	1281	10903	2411	3563	8168	5909	7057	30713	24613	12912	41486	13041	20349	0	17563	16219	2444	1936	1537	24156	10813	22151	0	22045	2232	0	8138	2765	Lipid	0.28	1.4	0.04
28	C25 H35 O7 N1	462.24863	462.2492	-0.005857444	462.24863	4405	4725	7225	4654	6449	2899	3062	5817	4063	6482	7263	2913	6221	3922	3066	6597	5374	3640	6933	8060	6857	4527	3880	5666	3412	19807	2232	6792	2963	3186	3575	5275	6941	6367	11517	4842	4752	3000	3370	7463	7174	3228	0	0	0	4947	4026	0	4503	4221	5458	4769	5347	0	4697	4954	3014	7206	2364	2521	6027	3020	6062	4566	1530	7505	3566	5582	17938	22009	30912	4363	4009	3228	3313	4319	0	2871	7537	2625	4164	2272	3245	5108	4844	3420	9909	2773	3372	6730	7332	7580	8437	2460	3871	0	6752	5585	3983	7506	7115	7843	1392	4908	3293	5854	3497	0	5719	5732	Lipid	0.28	1.4	0.04
12	C25 H35 O7 N1	462.24863	462.2493	-0.02684317	462.24863	17892	19262	14682	16210	5515	8348	13313	32997	3812	35837	15665	17669	4320	2788	23872	21248	13419	6214	11040	41313	33665	19348	17354	22743	20211	21375	17709	16368	32499	27409	28770	29630	36711	30797	42839	26658	32693	19377	18918	28173	5526	8171	0	0	0	19068	10997	0	30820	22137	13796	18890	7165	0	7347	1784	3494	22799	0	0	16461	8386	2440	0	2952	8180	10389	14215	0	31977	20769	30239	25190	33088	14595	26442	0	21002	11484	0	11533	4122	6493	13037	3748	6381	10175	8445	12910	45048	31286	12590	42602	9376	23146	0	19798	16504	4214	2872	3212	27810	14835	21780	0	29703	2446	0	11531	4365	Lipid	0.28	1.4	0.04
6	C18 H39 O12 N1	462.25452	462.25586	-0.20982835	462.2544	0	0	0	0	0	0	0	0	0	0	991	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5914	0	0	2363	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9336	0	0	1822	0	0	0	0	0	0	0	0	1628	0	761	0	0	0	655	0	0	0	0	0	0	99490	0	0	0	0	0	Unclassified	0.6666667	2.1666667	0.055555556
2	C19 H35 O8 N5	462.25583	462.25656	0.14701207	462.25592	0	625	604	0	0	0	0	0	0	0	939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28333	439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	463	0	0	0	0	0	0	0	0	0	0	0	175759	0	0	0	0	0	0	0	0	0	0	23064	14133	0	8583	0	0	0	693	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42105263	1.8421053	0.2631579
4	C19 H35 O8 N5	462.25583	462.25674	0.041668523	462.25586	734	0	0	0	0	287	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3517	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	72656	0	0	0	0	0	0	0	0	0	0	27822	12476	0	2504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42105263	1.8421053	0.2631579
28	C26 H39 O4 N1 S1	462.26724	462.26773	-0.036001526	462.26724	21805	25348	21966	21727	17058	17114	8872	64810	882	1347	7505	15555	0	17991	13875	13920	23953	0	0	0	0	6397	3943	7959	0	0	32272	25868	14068	24459	3446	8722	6513	12064	0	5751	1218	29254	42981	0	0	3129	0	0	0	0	0	0	75551	16372	23062	23485	6784	0	0	2519	2569	149937	0	0	7203	0	1195	0	1995	5270	6767	57072	3958	3062	2062	13974	11941	15404	4081	4098	0	61606	21525	3988	4266	0	0	0	0	7688	34156	55901	492877	52769	10007	1681	23159	0	0	0	19789	24249	30102	5491	919487	4707	28552	0	0	8655	18536	0	2587	0	Organosulfur	0.15384616	1.5	0.038461536
20	C22 H39 O9 N1	462.26974	462.27026	-0.06322508	462.2697	0	2012	0	0	2333	0	21670	2059	1901	0	0	1376	3310	1748	3880	2345	1625	4134	3651	0	0	0	1251	1802	2901	0	9150	1728	2347	2430	0	3795	3776	2758	0	2437	6147	1542	1473	0	0	2133	881	0	0	0	0	0	3008	0	0	2544	0	0	2539	2000	954	0	2861	1078	3565	0	3405	1554	3069	2213	1558	1870	0	0	0	1553	3047	2706	0	1489	0	2837	1353	0	1266	0	24086	0	0	3220	2397	0	1710	0	4430	2675	3449	0	0	0	2449	3842	0	1202	2397	3233	0	2706	0	3121	0	0	3408	1402	Lipid	0.4090909	1.7727273	0.045454547
22	C22 H39 O9 N1	462.26974	462.27014	0.02146752	462.26978	3336	2605	0	3223	2228	1324	19162	2897	4224	0	0	0	5444	0	4004	0	0	4775	4378	0	0	0	0	0	3004	0	6597	3307	3926	0	1643	0	3201	1774	0	2177	4599	3327	0	0	0	0	0	0	0	0	0	0	2148	0	2058	2182	0	0	4501	1805	0	3429	2452	0	2226	0	3188	2353	2295	4994	3832	0	0	0	0	2998	3570	2124	0	3211	0	1252	0	0	1998	0	28264	6848	0	1320	1726	0	0	1643	9927	7310	6009	0	0	0	1615	0	0	1433	0	3827	0	0	3694	0	0	0	0	3477	Lipid	0.4090909	1.7727273	0.045454547
14	C26 H39 O6 N1	462.285	462.28552	-0.04962782	462.285	6735	9378	4613	10411	0	0	2345	9350	0	0	0	5669	0	0	7584	14567	9106	0	0	3949	1721	5561	2334	7602	3613	1506	7448	0	11458	9908	16018	10386	12329	8560	4715	12247	8194	5720	9323	4903	0	3569	0	0	0	1813	6037	0	18224	6334	8579	9431	963	0	0	0	1410	14936	0	0	0	0	0	0	0	0	1629	20218	0	2132	2224	9981	9315	8812	15011	10405	0	6692	0	0	2035	0	0	2407	0	0	2443	2687	1079	408633	13132	0	122571	0	7992	0	8967	11360	0	0	0	12227	4264	3876	0	42401	0	0	3226	0	Lipid	0.23076923	1.5	0.038461536
10	C26 H39 O6 N1	462.285	462.28568	0.026320135	462.28503	5231	4753	3920	3672	0	0	3088	7711	0	1707	0	4755	0	0	4933	7603	18030	0	0	3606	0	4000	3244	7931	4740	0	1938	0	8418	7032	7417	7553	11980	7640	3296	10065	11905	3990	14985	1366	0	849	0	0	0	0	1451	0	9208	7795	2965	4297	0	0	0	0	0	6531	0	0	0	0	0	0	0	0	1123	18937	0	0	1770	6765	6943	5640	6691	6713	0	5554	1472	0	2732	0	0	0	0	0	2067	1057	1247	71636	0	0	40284	2171	6131	0	3047	4705	0	0	0	17619	2296	4281	0	15702	0	0	2499	0	Lipid	0.23076923	1.5	0.038461536
16	C26 H39 O6 N1	462.285	462.28552	-0.06965367	462.28497	3986	5763	6207	4996	0	2193	2771	9840	0	2404	1417	5170	0	0	3727	8161	24528	0	0	2947	2132	4245	2084	4709	3850	2686	7133	1977	6257	9064	10212	9630	7835	5707	2769	8217	17254	2809	29282	2045	0	0	0	0	0	1837	1540	0	11220	2047	6477	6517	0	0	0	0	1903	5320	0	0	7020	0	0	0	0	0	1999	27651	0	2430	0	5335	4135	7340	8477	8137	0	5670	0	0	1208	0	0	1375	0	0	0	2048	1327	292384	11842	0	42756	0	2219	0	6737	6854	0	0	0	12254	5624	2190	0	12788	0	0	2800	0	Lipid	0.23076923	1.5	0.038461536
12	C26 H39 O6 N1	462.285	462.28558	0.030294908	462.28503	12236	8924	10130	10197	0	0	6775	11773	0	0	4119	5645	0	0	6163	16653	19466	1331	0	3183	2577	12851	4314	10859	8225	2363	3809	0	12600	10011	13448	13152	18800	15444	3534	9518	11852	7291	20276	4244	0	945	0	0	0	0	0	0	16143	10506	10399	9429	1030	0	0	0	0	12953	0	0	0	0	0	0	0	0	1119	36096	0	2874	0	9143	11613	12329	16862	8490	0	7733	2555	0	2807	0	0	1971	0	1157	2969	4305	3920	736133	5125	0	226604	0	5592	0	14426	12603	0	0	0	14595	8814	0	0	53857	0	0	5820	1131	Lipid	0.23076923	1.5	0.038461536
28	C26 H39 O6 N1	462.285	462.28555	-0.08882569	462.28497	10889	9498	10473	8814	7115	2590	13287	18199	4522	5238	8999	9264	7445	3025	9168	13232	11573	3563	8261	9680	10016	6025	9088	11078	10940	19624	9460	12803	21049	21582	18649	13247	11281	11989	7759	21389	8812	12317	10900	6816	11932	6502	0	0	0	7641	7754	0	30796	18415	7004	6701	6162	0	6112	6713	3878	14025	9184	9522	14563	5030	2721	4684	3215	7646	7425	12727	15572	12861	18099	8734	10244	13347	10510	14944	0	12531	15162	8601	9834	6228	13243	8545	9025	4857	16457	2995	5927	24379	7216	8381	8625	7703	3883	0	10589	10263	3695	12034	12794	14215	11362	19920	5793	9448	8164	0	11979	2179	Lipid	0.23076923	1.5	0.038461536
26	C26 H39 O6 N1	462.285	462.28564	-0.058237802	462.28497	51495	55457	49152	45530	59483	24134	41509	87067	42982	44891	63453	58328	41778	25107	56713	102605	58231	35121	58310	78980	64827	35638	50070	74250	53767	114986	40108	63626	91066	99976	71262	76163	71546	55682	53083	91035	59669	51600	63215	57658	54443	34844	0	0	0	40838	37849	0	102325	78683	55853	51861	44140	0	51412	40773	27604	84095	39425	34395	108559	37016	30248	34870	19932	39319	31273	76223	97390	90879	104575	56849	63437	79641	54502	86329	0	69064	52875	47537	38796	31976	41593	43550	49415	27532	62139	30719	39064	61947	59063	65992	70532	38872	32519	0	57074	54481	27424	42431	51757	86296	57445	86351	37593	59013	42136	0	50641	29420	Lipid	0.23076923	1.5	0.038461536
20	C26 H39 O6 N1	462.285	462.28555	-0.09977416	462.28497	25350	22398	15735	22241	11936	4699	15397	13608	6039	8285	12752	18615	5888	7437	16320	28153	47390	5910	8667	12623	14758	28391	9604	16151	12243	24994	16447	9009	24967	27470	22559	24625	18972	21791	9570	25058	15226	14796	39112	9615	13330	7502	0	0	0	7769	11045	0	27986	16272	20890	20707	7997	244	6213	6254	4982	16722	5989	23854	19028	6604	2883	5984	5980	6109	6553	46796	15522	18375	27771	10092	24985	31485	39806	31209	0	16892	12315	13703	9012	2743	12495	0	9089	4720	17233	9656	11614	679084	25841	18724	109103	17930	15997	0	20365	29567	6498	7107	10897	30440	20311	21663	2140	46189	12031	0	18001	3864	Lipid	0.23076923	1.5	0.038461536
18	C26 H39 O6 N1	462.285	462.28546	-0.13282269	462.28494	5456	4199	5745	3758	1474	0	3477	5982	0	0	5195	6838	0	2089	3853	13037	19827	0	0	5924	0	4538	1730	3517	4228	1578	8567	5355	6936	7169	6103	8979	7750	8645	0	9459	8485	4764	21093	2887	0	1456	0	0	0	1998	1416	0	11528	4319	6006	6146	0	0	0	0	1414	6306	1442	2717	6258	0	0	0	1759	0	0	16819	1472	3943	3609	2965	4720	5128	13179	7899	0	4423	3617	3782	3461	0	0	2064	0	1632	5495	2816	1259	183348	8587	3360	65670	1853	3838	0	4713	5691	1408	0	1337	9064	5830	4252	0	17671	1165	0	5708	0	Lipid	0.23076923	1.5	0.038461536
26	C23 H43 O8 N1	462.30615	462.30597	-0.1726172	462.30606	0	0	0	1741	9379	0	7264	0	0	0	0	0	0	2980	0	0	0	0	0	0	0	0	0	0	0	0	5427	2936	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6902	0	0	0	0	0	0	0	0	0	0	0	4770	0	3189	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2328	2302	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57322	0	0	0	Lipid	0.3478261	1.8695652	0.04347826
24	C23 H43 O8 N1	462.30615	462.3059	-0.30408317	462.306	0	0	0	0	0	0	21133	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5262	1339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1776	0	1113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4227	1999	0	0	0	0	0	0	3516	1727	0	0	0	0	0	0	0	0	0	0	0	0	2595	0	0	0	0	0	Lipid	0.3478261	1.8695652	0.04347826
14	C31 H43 N1 S1	462.3189	462.31952	-0.9596827	462.31845	1549	0	1968	0	0	0	0	1393	0	4292	3809	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1463	0	0	0	526	464	3044	0	668	0	0	0	0	0	1194	0	0	0	0	12100	0	0	3853	0	0	0	0	0	0	0	0	0	995	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	685	0	0	0	0	0	0	0	0	82601	0	0	0	0	0	Organosulfur	0.0	1.3870968	0.032258064
26	C27 H43 O5 N1	462.3214	462.32184	-0.15395242	462.32132	8946	7513	7538	8306	14145	4365	7634	7917	4332	0	8741	4753	0	3368	6280	11697	14650	0	6796	6814	5135	4138	0	6037	9655	25114	7311	11697	14062	10735	7452	11374	13029	7322	2865	18443	9610	7797	15677	5052	6852	6376	0	0	0	0	0	0	9390	11944	8472	7282	8455	0	7182	0	3602	9060	5248	6720	13134	2904	1734	2731	3542	5556	8228	15305	15045	7228	11019	4609	10411	16599	6252	13431	0	3946	7532	7737	3541	3473	9166	5909	10811	7508	21859	6153	5883	27789	6459	10590	7504	5886	0	0	4885	8465	8778	9619	13774	20981	5036	14623	0	5926	14540	0	10058	2269	Lipid	0.18518518	1.5925926	0.037037037
26	C28 H47 O4 N1	462.3578	462.35812	-0.21934192	462.3577	1952	2025	0	1811	0	0	13875	10160	0	0	5283	93176	0	0	0	15997	0	0	0	0	0	0	0	0	0	0	9452	0	0	16654	12544	0	0	0	0	0	0	4097	0	0	0	0	0	0	0	0	0	0	2779	14586	0	0	0	0	0	0	0	5489	0	0	11868	0	0	0	0	0	0	0	0	0	0	2789	2990	38976	0	6404	0	50515	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	79532	0	0	0	0	0	0	0	Lipid	0.14285715	1.6785715	0.035714287
14	C20 H14 O13	463.05072	463.05148	0.19660982	463.0508	1684	3000	2588	0	11518	1808	0	0	12723	0	0	0	20581	1401	0	0	0	6656	6380	2097	0	4816	1767	0	0	0	0	0	0	0	0	0	0	0	2528	0	0	0	0	0	0	2151	0	0	0	0	3975	0	0	0	2747	1972	6338	0	6051	14441	2890	0	0	0	0	0	31679	14358	3551	18252	2131	1260	0	0	0	0	0	0	0	0	0	0	0	0	2412	1179	0	0	19488	3314	0	1746	3406	0	0	0	0	12577	1980	0	0	0	15066	21560	19344	0	0	0	0	0	5877	0	0	18638	Phytochemical	0.65	0.7	0.0
28	C20 H14 O13	463.05072	463.0513	0.19341215	463.0508	6004	5328	4800	6141	16631	6891	1730	0	17330	0	1114	1557	37037	9067	0	0	0	21099	19282	0	3032	4625	5637	0	0	0	1838	0	0	0	0	0	1747	0	3465	0	2119	1278	0	0	1589	2184	0	0	0	2118	5279	1403	0	0	5790	4066	9116	0	16216	13380	4047	0	0	0	2075	0	37112	13549	2836	18299	2581	0	0	0	0	0	0	0	0	0	0	1374	6574	4642	6859	1911	0	0	21967	7095	4066	1397	3385	1098	0	1052	0	4004	3663	0	5884	3840	8194	17134	17165	0	1106	0	4747	1046	13644	0	0	27353	Phytochemical	0.65	0.7	0.0
18	C20 H14 O13	463.05072	463.05145	0.14145762	463.05078	3962	3298	5484	1848	21900	7884	0	0	18435	0	2324	1428	43407	4341	1347	0	0	15720	13670	0	2206	9169	5755	0	0	0	0	0	0	0	0	0	0	0	3807	0	0	1859	0	0	1710	3237	307	0	0	1642	8692	1030	0	0	4245	3958	8624	0	12078	22732	7536	0	0	0	0	1027	44657	23299	5354	29891	1918	0	0	0	0	0	0	0	0	0	255	0	6753	4738	7389	3025	0	0	25690	7582	3039	2640	4446	0	0	0	0	14842	6012	0	4418	2241	13763	35028	32008	0	0	0	3915	0	20066	0	0	32938	Phytochemical	0.65	0.7	0.0
24	C20 H14 O13	463.05072	463.05127	0.20762761	463.0508	3850	3862	4250	4711	12557	4829	0	0	13517	0	0	873	26576	3681	1718	0	0	11554	11263	0	0	3459	2296	0	0	0	0	0	0	0	0	0	1644	0	1705	0	1973	1479	0	1022	0	0	0	0	0	1873	4048	0	0	0	4989	1613	8634	0	14962	14663	3443	1154	0	0	0	0	23140	14693	2037	13007	3900	0	0	0	0	0	0	0	0	0	0	980	5791	4686	5948	1210	0	0	19253	5131	3385	2737	2118	0	0	0	0	4444	4569	0	3132	2978	9572	11607	17248	0	724	0	1783	0	9934	0	0	32896	Phytochemical	0.65	0.7	0.0
16	C20 H14 O13	463.05072	463.05142	0.12151459	463.05078	3943	3132	1697	4424	19709	6136	0	0	21567	0	2181	0	31202	2553	0	0	0	11567	13141	0	1983	10460	3500	0	0	0	0	0	0	0	0	0	0	0	2124	0	0	1681	0	0	2468	2041	461	0	0	0	8995	618	0	0	2510	2493	6829	0	17022	20048	5879	0	0	0	0	0	42335	22780	4715	24452	4161	0	2640	0	0	0	0	0	0	0	0	0	2138	3891	2963	4119	0	0	25824	4596	2546	1429	3942	0	0	0	0	14843	2416	0	4733	2331	14881	33111	25164	0	0	0	3729	0	17301	0	0	31185	Phytochemical	0.65	0.7	0.0
20	C20 H14 O13	463.05072	463.05142	0.11365928	463.05078	5733	7422	4916	2627	19441	6647	0	0	27012	0	2234	0	45567	6360	1821	0	0	13013	10834	0	0	9390	2777	0	0	0	0	0	0	0	0	0	0	0	1799	0	0	1892	0	0	2433	2886	0	0	0	0	6424	1583	0	0	3296	4836	9943	0	11324	20484	5186	0	0	0	0	1007	34975	21476	6045	15384	3716	0	1227	0	1795	0	0	0	0	0	0	0	6129	5964	3687	4689	0	0	23933	6673	4906	4260	3883	0	0	0	0	11885	4010	0	3899	2950	16267	32741	23618	0	1923	0	2411	0	19706	0	0	34084	Phytochemical	0.65	0.7	0.0
26	C20 H14 O13	463.05072	463.05124	0.108143896	463.05078	4243	3461	2817	4170	11531	6541	0	0	14030	0	0	0	35698	5277	0	0	0	23427	12062	0	0	4112	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3770	5484	6816	0	16086	12301	4164	0	0	0	0	0	38576	14584	2366	15340	0	0	0	0	1703	0	0	0	0	0	0	0	4355	5276	5281	0	0	0	19860	0	3756	0	2648	0	0	2184	0	6659	0	0	3841	0	10597	17478	17722	0	0	0	0	2401	10752	0	0	31539	Phytochemical	0.65	0.7	0.0
16	C21 H18 O12	463.0871	463.0878	0.08637002	463.08713	69018	75796	67116	68973	115998	59380	11266	11061	134501	128702	62632	21949	205034	45234	29331	13925	10858	130923	125231	83081	115752	183145	48028	19236	9495	9114	11036	29339	9301	7045	12007	6405	22718	8108	175627	7454	36263	29192	12569	59808	76241	31349	1649	0	0	102805	147958	683	17484	7551	59511	69399	78514	423	123919	102066	47786	26041	21004	18563	17929	59598	223480	113591	42265	138582	51695	13352	25835	24049	43672	15041	12877	4515	11472	8781	628	19101	60531	117706	40497	103569	8593	19801	121015	48477	50845	33569	38769	0	14939	49939	0	162972	161091	0	62401	61451	101120	120515	127178	19904	18250	14657	98822	29955	92599	0	16279	214532	Phytochemical	0.5714286	0.85714287	0.0
28	C21 H18 O12	463.0871	463.08768	0.16633576	463.0872	15580	10058	14574	12972	26588	16180	3268	0	27596	23028	5742	0	64794	13260	8524	0	0	37138	34300	9420	13954	21636	11942	0	0	0	2614	2514	0	0	0	0	4704	0	22376	0	3920	5212	2256	10288	8514	5012	0	0	0	15418	24650	0	0	0	13810	8170	17272	0	30268	23916	7560	0	3512	3466	0	10490	42594	23586	6488	35600	7844	2824	0	5466	10253	2272	0	0	0	0	0	0	14818	12336	13338	12230	3738	3168	35210	14040	9804	4816	7744	2794	4062	6292	4242	18939	23534	0	15236	10250	17424	23012	21268	0	5322	0	16102	0	19470	0	2126	54714	Phytochemical	0.5714286	0.85714287	0.0
20	C21 H18 O12	463.0871	463.08774	0.12165167	463.08716	37931	29828	37049	29164	67558	40197	4343	5449	68981	39164	20497	7297	124428	28814	16142	4042	4005	78913	63153	33507	38971	74926	24564	5984	9069	7321	4209	8556	0	3207	2618	3651	11114	3368	65083	1562	13098	14350	2133	19666	20193	14728	2215	0	493	39906	61658	1812	4182	2675	37313	28799	38294	272	72972	59059	27705	6517	9520	6122	4877	23852	114002	62868	18918	69635	24272	2676	8461	13027	15142	4575	2451	1652	2083	0	627	7329	28400	46990	25107	52305	3955	9521	71353	31525	19639	12917	17042	3596	9167	16821	9794	68528	61585	0	30846	25197	50091	70208	64212	4945	6464	4894	53452	11028	57605	0	7537	118113	Phytochemical	0.5714286	0.85714287	0.0
8	C21 H18 O12	463.0871	463.08792	0.116994835	463.08716	4434	6411	3214	4262	11243	4555	1140	1168	12188	0	8016	1773	17749	1239	1673	1188	1798	10568	9482	4800	7591	8261	2522	1976	0	1080	1288	0	0	0	727	0	995	0	17885	1474	0	1419	1297	2188	6481	1720	0	0	0	2868	10065	0	992	1222	7447	4360	6027	0	10131	11649	4962	1336	0	3456	0	1307	21744	11067	3354	14741	2609	2412	0	1946	6444	0	0	748	1723	922	0	1146	5887	0	4686	4479	518	0	15229	3774	3455	3643	2487	3341	0	0	1612	11093	7070	0	5420	4887	18233	21696	16269	1186	2116	0	0	1398	11527	0	621	16330	Phytochemical	0.5714286	0.85714287	0.0
24	C21 H18 O12	463.0871	463.08774	0.22900009	463.08722	9738	16534	14812	21330	39114	28268	3028	0	45264	38924	7596	4378	91880	15996	11064	3054	0	57900	43162	14224	16392	41660	10634	5224	3878	4066	0	3824	0	0	0	0	0	1956	34178	0	4288	5370	0	8608	8648	3260	0	0	0	26920	37364	0	3560	0	17380	11098	21374	0	58910	52722	14446	0	3096	2980	2978	12326	82340	50474	10180	38330	9118	0	0	9244	17010	0	0	0	0	2408	0	3924	26824	15654	23684	30280	3482	3616	53690	25804	11354	6424	9068	0	2782	4804	8040	46000	41326	0	17880	13896	34200	42556	42434	2600	3494	4022	24418	0	37142	0	5708	91036	Phytochemical	0.5714286	0.85714287	0.0
26	C21 H18 O12	463.0871	463.08777	0.0933465	463.08716	5860	5963	4392	6742	15663	9609	0	0	19634	10587	3555	0	35261	6774	0	0	0	19983	14391	4999	5884	11586	7499	0	0	0	0	0	0	0	0	0	0	0	15506	0	1764	0	0	4177	3833	0	0	0	0	0	10097	0	0	0	6781	5811	6003	0	27333	14719	3856	0	0	0	0	3167	32632	15403	3510	18236	2973	0	0	4569	5217	0	0	0	0	0	0	0	6519	0	5884	8317	0	0	23488	7644	5034	3077	4715	0	0	3030	0	8905	15947	0	7187	6410	7492	15334	15466	0	0	0	6670	0	9500	0	0	31671	Phytochemical	0.5714286	0.85714287	0.0
14	C21 H18 O12	463.0871	463.0878	0.10725827	463.08716	62298	66378	57934	63896	99255	48417	12868	15083	120945	117857	95048	20846	162355	34997	22241	22303	12654	94144	91119	64229	96111	177175	38323	17568	9715	8335	16056	26405	7510	9273	10314	8754	25774	8859	164768	5639	21410	27059	15033	46694	81835	24162	0	0	0	79003	151552	0	13806	9013	59412	59556	69982	0	101099	84581	42229	22656	23485	19824	0	55247	175676	94749	41973	106237	41570	12501	34428	27831	42239	11689	8015	4577	13773	6369	0	14888	50406	88877	45189	83495	9334	14032	115247	57990	40441	31917	37960	19714	9686	29156	22022	176830	120056	0	57803	51006	96263	128562	114152	15442	19170	18497	94209	20653	79267	0	14480	149218	Phytochemical	0.5714286	0.85714287	0.0
12	C21 H18 O12	463.0871	463.08783	0.06858116	463.08713	38717	35946	42317	42573	59596	24619	8016	5987	62158	74688	68898	13792	87640	14629	12882	14695	10618	58338	64547	43792	58460	87653	25157	10444	3732	6121	9113	19242	4866	5258	5787	6665	13429	6229	102004	4795	11045	14677	11690	29551	62593	17079	450	0	0	35309	118123	0	8706	4559	34544	35911	37763	0	55137	59924	24527	13569	12565	15285	0	35722	124860	58138	21118	69136	25399	17614	25397	13013	31982	8727	5181	4426	9900	6554	0	9679	29111	43044	26567	51460	4153	5931	73053	26080	29607	27758	19984	16902	5424	12136	12756	109259	67089	0	42724	37611	64424	80090	67675	12174	10832	9822	73849	13392	60882	0	9770	88967	Phytochemical	0.5714286	0.85714287	0.0
22	C21 H18 O12	463.0871	463.08777	0.12581049	463.08716	34598	27298	32340	31516	69900	37888	0	5848	92512	49210	15794	4524	139530	92442	16150	5030	3140	92366	58200	22060	30206	86032	17026	5403	9878	7916	5692	0	0	0	0	0	4006	0	61980	0	13284	14592	2746	18626	16504	8776	0	0	0	50722	67840	0	0	2864	34574	33188	42886	766	96192	71080	30174	4954	8964	5328	5923	21710	181574	74686	18600	63656	22893	3154	20928	15804	16544	3168	0	0	2094	0	1730	8414	35874	40870	21386	53936	4798	7666	90044	51172	24458	15632	20920	3336	5754	8908	8730	69864	65906	0	25588	26798	49366	85550	77124	6748	7478	5948	61466	10190	70568	0	4428	150185	Phytochemical	0.5714286	0.85714287	0.0
18	C21 H18 O12	463.0871	463.0877	0.06196765	463.08713	56895	56088	51207	48742	91429	57304	9721	10469	107860	86246	42333	10211	204544	44380	27852	13101	5605	135053	121032	59360	69498	115404	39873	11467	12382	8378	11073	19899	9604	3396	12168	8201	19333	7392	113445	4265	19486	21868	4825	39454	41772	23862	2340	0	0	63807	112560	1187	10477	6353	55644	48318	60602	0	126703	98937	39889	16512	19476	10355	15684	36905	187520	102911	31863	128921	35439	10010	27246	23354	24881	8033	3413	0	6058	5982	344	11221	54043	72237	43375	93497	6816	14813	114435	57729	38800	24028	31608	12064	19058	31218	18072	106587	109399	0	57339	47717	94203	105806	95618	13610	13613	13330	80613	15316	74576	439	16249	185679	Phytochemical	0.5714286	0.85714287	0.0
10	C21 H18 O12	463.0871	463.08786	0.13000417	463.08716	15653	19452	16683	14830	31000	12544	3431	3729	38903	29249	29216	6934	44434	8355	4395	4492	6509	26932	27696	16956	28506	25024	12386	3756	984	0	3382	5259	1660	1806	1436	1875	8842	3135	45224	1442	2654	8349	6942	16966	22839	8280	0	0	0	17924	39720	0	3449	2451	15853	14902	16375	0	27951	33170	14657	4043	3135	10346	0	12223	49271	26604	12850	36469	10690	8560	11735	7793	18978	3103	3515	1661	3232	3826	0	3153	16437	16743	15375	19686	2038	3569	46013	15203	15537	10461	8896	7285	0	3979	8869	42051	26114	0	17690	16632	38247	45784	42692	3168	5736	4108	21876	4909	28201	0	2804	41244	Phytochemical	0.5714286	0.85714287	0.0
22	C12 H22 O13 N4 S1	463.0977	463.0978	-0.39804068	463.0975	2776	2025	4331	2039	3654	3152	0	6865	1490	1702	1769	6299	5420	0	2639	1788	0	10030	6301	1725	3052	6539	15010	9827	0	0	1170	0	14317	1832	12547	8542	21390	14184	6706	3823	8512	0	0	2328	3803	4682	0	0	0	6526	12070	0	20176	1170	1591	5263	5012	0	6404	2753	1213	13656	0	0	5802	3455	5640	6697	0	3923	5388	0	1461	0	0	3924	7197	1066	0	2875	0	11722	2992	4553	0	5081	0	1647	4331	1216	2963	8447	34092	1887	0	0	3676	8112	4043	0	4426	2244	2791	2578	0	13680	9855	1172	9016	9888	1639	0	1295	7074	Organosulfur	1.0833334	1.8333334	0.33333334
20	C20 H18 O11 N2	463.09833	463.099	0.052645437	463.09836	0	0	4272	2094	3978	3851	1429	2107	6321	2798	2427	2202	14111	0	0	0	1931	4580	0	7041	2512	18519	3045	0	0	0	0	0	0	0	1814	0	1653	0	10646	1509	1638	1383	1696	3702	8940	1540	0	0	0	12975	26603	0	0	0	1892	3724	3426	0	7336	4580	2452	0	0	1913	2202	5846	13396	6897	1427	5278	3754	2304	2707	0	2154	0	0	0	0	0	0	1885	1573	4459	2210	10380	0	0	4178	2052	4050	2923	1599	5044	0	2244	2925	14255	10140	0	4499	0	1277	2505	6497	0	1279	0	16577	0	4024	0	0	11535	Phytochemical	0.55	0.9	0.1
10	C20 H18 O11 N2	463.09833	463.0991	0.16167349	463.09842	5893	10526	6383	7129	9508	3285	0	2222	15373	15381	12201	2901	25124	1732	1531	1427	2059	11843	14138	9645	18914	25753	3302	2749	0	0	1103	0	0	1224	1579	0	1835	1578	24761	0	3783	3672	2265	14376	29652	2506	0	0	0	12683	44388	0	0	0	8184	7283	6072	0	18422	12712	4499	1581	3243	4128	0	9236	35306	15670	4119	13789	2447	4066	0	2310	8189	1314	1456	0	1217	0	0	2576	5263	11491	3982	14655	905	2945	15854	4161	2344	6359	3006	4936	3608	2836	5390	29083	14263	0	6813	7182	9564	18689	10355	2286	2213	0	35365	3734	8311	0	1704	25228	Phytochemical	0.55	0.9	0.1
14	C20 H18 O11 N2	463.09833	463.09906	0.09640863	463.0984	10066	13979	8769	11316	15948	6858	0	0	23528	24000	17167	4097	38859	5825	4472	4462	2673	21356	17219	17279	36927	47738	6253	6073	1733	0	2630	0	1892	1506	1631	0	5647	2766	39978	0	4799	5551	3900	22670	50048	8721	0	0	0	36747	90122	0	2003	2020	16025	15335	10081	0	29604	19605	7116	3317	8381	8704	0	25895	49558	31052	6856	22925	4698	5808	0	4174	14129	1474	2293	0	2627	1470	0	3753	10378	20077	5633	39831	1285	5373	22411	6199	7570	7047	8085	11207	4259	6298	7172	47904	36394	0	8782	12680	14340	25082	19285	5745	4753	4598	44824	4796	12994	0	3003	34159	Phytochemical	0.55	0.9	0.1
8	C20 H18 O11 N2	463.09833	463.09927	0.19022143	463.09842	1899	3643	1966	2480	4241	1296	0	0	8677	4491	3643	0	11780	970	798	1658	0	4903	5081	3093	9494	11816	2169	1022	0	0	0	0	0	0	0	0	0	0	9920	0	1704	1186	0	3832	9879	2168	0	0	0	3242	20288	0	0	0	2187	3528	2513	0	7219	6660	2961	1053	0	0	0	4992	21588	9127	0	4818	1586	1799	0	0	2827	0	0	0	1347	0	0	645	2422	3903	0	4803	746	0	10009	0	1698	2392	1436	2206	0	0	3618	11492	7724	0	3459	1688	5201	9827	8734	0	1033	0	0	1473	4032	0	0	12934	Phytochemical	0.55	0.9	0.1
16	C20 H18 O11 N2	463.09833	463.09903	0.08249929	463.0984	13311	7878	13774	11364	14529	6405	3218	0	18889	24354	9368	4025	33676	3508	3448	5074	4210	17502	13121	13399	26015	41442	5414	2267	2129	0	3248	2379	2549	1487	1388	0	5637	0	30509	0	6593	2810	3507	17989	34593	5204	0	0	0	28360	58920	0	2457	0	12733	9726	10190	0	24593	14535	6783	4106	3116	3671	0	14746	32431	21404	5167	13545	6452	2838	6747	4695	6108	0	1678	0	1730	3410	0	2765	8796	21928	6220	34950	1022	6524	19577	5767	6060	6495	7453	0	0	7674	0	40135	33775	0	8840	9911	13012	17418	14008	5840	2993	0	36044	0	12346	0	0	33861	Phytochemical	0.55	0.9	0.1
12	C20 H18 O11 N2	463.09833	463.09906	0.13104182	463.0984	9890	9637	14790	10276	15350	5566	3249	3109	20006	15881	19379	4000	24929	3229	4691	2428	7872	17526	15835	15861	34339	42784	7077	0	0	1103	3724	0	0	1344	1410	1795	5667	1600	31446	1623	5053	3893	6334	18010	38980	5297	0	0	0	26390	74155	0	1750	0	12551	9780	11007	0	27603	14275	7079	2530	0	8286	0	19970	55389	27174	5932	23818	7239	6154	0	3126	8923	2205	0	1491	2609	0	0	2864	8072	0	4254	36273	2472	5796	23269	6903	6054	7106	6827	13597	0	5718	10469	45101	27230	0	12296	14355	12655	19378	19307	3410	2865	3424	46113	7148	13905	0	2166	40253	Phytochemical	0.55	0.9	0.1
18	C20 H18 O11 N2	463.09833	463.099	0.11917959	463.0984	9503	6362	8879	4827	7499	4271	1112	0	10851	7223	5279	2458	21084	4533	2170	2455	2913	9403	11912	4441	7059	25611	4859	3340	2634	0	0	1759	0	0	0	0	3489	0	11509	0	3851	4040	4883	13195	10974	3822	386	0	0	20483	46419	0	0	0	8121	6635	6195	0	20115	9865	3466	2920	0	2109	3891	12443	21063	14526	4721	17949	4264	2658	1807	1529	4046	1509	0	0	1421	0	0	0	4134	18410	3250	17958	0	4691	14413	4177	2893	2563	2482	5141	0	6269	7898	29637	18786	0	6289	5341	6059	9088	10390	1993	2963	0	23423	3039	4616	0	1174	29716	Phytochemical	0.55	0.9	0.1
28	C22 H22 O11	463.12347	463.12405	0.097147554	463.12354	8174	7384	8731	7823	10867	6342	0	0	12562	19121	4178	1369	22501	5183	3876	2698	0	14450	10793	14459	14128	10631	3908	4174	0	6807	1572	3858	0	0	2940	1657	2330	1243	23612	0	2611	2375	1445	8220	9122	0	0	0	0	14541	15414	0	1632	0	5150	6068	6369	0	13844	7488	3113	3720	2573	1753	2903	5617	19485	8531	3676	15391	3495	1568	6920	14550	13431	2509	1333	0	0	1245	0	1215	7120	5739	10935	9315	1529	5444	10244	7076	5127	4008	3084	3265	7983	7309	3515	7753	12106	0	7697	6249	6918	7346	7156	0	2389	3178	10067	2347	6645	0	3120	17861	Phytochemical	0.5	1.0	0.0
8	C22 H22 O11	463.12347	463.12427	0.05568903	463.1235	19759	21598	15066	16494	13959	7664	7039	11776	18682	40425	31643	9537	20286	7328	8632	18508	11853	12613	17883	27267	35103	23640	14409	14110	3902	13150	8235	14040	6236	6374	9946	11285	9477	8420	49261	6290	7728	7759	15938	18122	28788	8752	0	0	0	21816	86600	0	11278	9989	18945	19072	9455	0	19411	15280	8507	11013	6112	16135	8671	13816	20799	12954	8087	14428	7360	17817	24944	22201	38174	7351	9478	8033	6299	9596	0	8005	17687	12217	13901	34010	7897	10123	18590	6713	15035	7829	6968	14713	0	6228	13764	22405	24206	0	17817	17539	21089	19828	15076	10487	9038	11383	26099	8787	15020	0	6117	14321	Phytochemical	0.5	1.0	0.0
12	C22 H22 O11	463.12347	463.1242	0.040331516	463.1235	269910	254266	232472	248672	193558	108435	123238	137629	230834	1110518	395697	111638	244288	77237	115403	159462	127516	219272	246445	885938	872532	434468	150878	173704	72200	197008	107844	266034	109717	120478	123298	145618	163325	124273	1465929	124020	138070	127805	161559	577128	451322	99846	3680	0	0	818110	1363562	0	157236	127216	264880	242654	127347	648	228246	163099	99674	174080	120804	163132	159352	246750	643069	199884	85703	218036	118624	143534	302130	296298	775912	130670	129194	130622	136833	138613	412	114044	198856	227006	171732	666445	107614	174940	220412	125720	172942	98826	110546	171896	135492	165854	161520	360910	702656	1098	263104	259630	244772	193925	185314	163438	110986	180552	382962	125343	179430	0	108270	553056	Phytochemical	0.5	1.0	0.0
10	C22 H22 O11	463.12347	463.12424	0.07140753	463.12354	55418	42196	45532	49679	41228	30592	23481	33175	46584	266662	84194	29910	49428	18927	26326	41778	32390	49961	54694	84858	181342	78602	34601	39223	12722	42836	28150	46195	22006	21548	23283	27983	32235	26193	283270	26124	33778	27557	37008	62555	162806	21620	1222	0	0	76355	246026	0	32889	28939	55145	49191	27805	0	53862	37574	23837	37974	25726	35998	40156	49918	124904	46742	21728	41310	26761	38673	70819	64041	90654	28077	27315	24343	27749	27060	0	20639	52591	47713	36825	117204	23367	34252	46293	24454	36730	18453	25791	32959	17872	25577	33383	155292	146194	0	54640	46997	52633	48276	37981	34316	25107	39550	65490	25311	41820	0	20835	60754	Phytochemical	0.5	1.0	0.0
24	C22 H22 O11	463.12347	463.1241	0.15323216	463.12357	39776	45640	39786	34048	56488	33770	6194	9850	72702	114378	28074	12686	131944	23762	21472	12482	2772	75686	58758	73894	76820	72240	26290	19526	7378	38840	4834	23838	5802	6250	9044	9486	11430	4698	143072	7722	13628	15510	3038	43054	33884	7902	0	0	0	87260	87674	0	4260	12234	37202	34284	38770	0	83512	54324	29466	10030	14624	4830	14586	32424	107564	58580	18618	72826	23746	7384	40405	75962	51568	6878	6810	6948	4932	6310	0	11846	37264	39122	29404	60450	8244	32148	71164	31954	28898	11890	13177	3790	29888	20781	19562	71446	79574	0	41208	40388	46596	62264	60578	7160	11536	14988	55198	8360	48188	0	10550	110481	Phytochemical	0.5	1.0	0.0
26	C22 H22 O11	463.12347	463.12408	0.10803163	463.12354	10386	10716	11835	8479	14098	9021	0	0	18827	28715	6841	0	34913	6110	0	0	0	20710	14187	21611	18675	13977	6787	0	0	10360	1994	5051	0	0	0	0	2444	0	30646	0	2866	2971	0	14360	6280	0	0	0	0	19390	26055	0	2792	0	6796	9677	7900	0	23362	15599	5640	2566	2797	0	0	8876	34714	18666	3170	19889	5421	2084	0	17015	15971	0	0	0	0	0	0	0	9818	0	8922	16488	0	6077	20966	11221	5725	2738	3628	2931	8145	9333	5733	10856	27969	0	7042	9047	11487	14920	11054	0	0	0	13542	3952	9869	0	3592	29642	Phytochemical	0.5	1.0	0.0
14	C21 H22 O10 N2	463.13474	463.1354	0.02134512	463.13474	80841	76268	75526	88964	57049	45599	45693	61372	75245	173217	86192	40264	111880	25776	47241	57757	49545	91596	83252	137464	147296	187512	58522	66250	41852	35677	34036	70213	46586	49554	49063	47992	71900	39967	224525	41890	77435	45886	48274	146933	148468	40582	0	0	0	153914	210859	0	51502	60505	83114	69063	47734	0	99166	53763	35508	69663	71884	51721	59535	131499	115951	80211	33482	77680	48166	63715	72078	76351	77250	56376	49555	47785	41347	42251	0	43081	55592	114244	47843	128929	41462	66065	64508	43935	56446	46367	50513	86445	66853	83377	107047	125102	134593	0	81981	80326	49293	55775	59224	62249	37233	65719	147674	69541	51271	0	47878	104409	Phytochemical	0.47619048	1.0476191	0.0952381
8	C21 H22 O10 N2	463.13474	463.13547	0.017462019	463.13474	37433	39397	32005	44929	26640	15518	12469	28121	37318	81993	57920	18724	46599	11000	16987	30849	25321	30205	38291	59537	88592	78855	27067	35569	11501	11268	13378	19886	21622	19771	20651	22975	31800	20170	99522	19563	26311	17601	30183	61870	101091	18941	0	0	0	75775	135029	0	24643	26276	37395	39962	24078	0	42338	28056	14615	23900	26384	31202	29907	50638	66092	37430	16374	38645	21034	34682	35352	25388	53266	25885	25032	19183	14514	21471	0	16053	32309	34596	21180	50834	15347	26423	31770	15055	24625	23138	23588	35672	12654	25852	43467	66743	64942	0	44191	37450	30426	36256	34025	26758	20094	36945	69596	28057	22272	0	12906	47846	Phytochemical	0.47619048	1.0476191	0.0952381
6	C21 H22 O10 N2	463.13474	463.13553	0.038823135	463.13474	19211	14614	15528	13318	12581	7074	5371	7191	14453	30019	19966	6743	19221	4817	6198	13545	10415	16241	17696	15894	35627	26332	9122	13756	2472	3593	4630	6820	6760	6533	7491	8821	9067	6369	37992	7023	11192	5369	11784	17044	39037	7219	0	0	0	20701	44330	0	8223	8444	12223	11884	7637	0	18017	12805	6775	9056	7335	13133	9476	17080	25541	14242	4751	17028	11229	13660	11821	9418	16392	7475	7281	6417	4040	6117	0	5301	7829	11649	6430	14569	3882	7304	19725	6512	6937	10995	7352	12286	5380	9793	14497	24391	24445	0	14113	13672	10116	16814	14451	11023	6883	11736	18740	11185	8857	0	5040	25816	Phytochemical	0.47619048	1.0476191	0.0952381
20	C21 H22 O10 N2	463.13474	463.13535	0.10562114	463.13477	14798	10371	12022	10638	13847	9208	5219	3773	11624	38279	7756	3904	22360	5741	9071	9780	5913	14098	16122	13984	19771	35149	11529	10841	12011	3531	5903	5975	4763	5053	3852	8055	13375	5900	35483	5478	14375	7958	5605	20120	12149	4977	632	0	0	29663	40342	449	10457	6381	16741	14190	8883	0	16827	8627	6628	9538	8154	4670	7629	14845	18346	11548	8369	17272	7496	4853	6149	9065	6388	3948	4355	2227	5720	2916	0	4460	10073	14994	9057	18792	7468	12508	14344	5813	14258	5805	6095	8181	10032	19021	24432	24703	28436	0	10215	14827	11370	9396	11779	8114	4815	6421	21807	12512	9562	0	7650	26587	Phytochemical	0.47619048	1.0476191	0.0952381
18	C21 H22 O10 N2	463.13474	463.13535	0.061971087	463.13474	34570	31252	34537	30798	28122	18035	20242	17769	27803	75608	25007	13784	46182	15742	19396	24144	15096	48168	38760	36727	59259	65534	25383	27984	21320	13025	11969	17642	18165	16031	18288	13577	25389	17430	75668	12334	26309	17475	16272	63626	42654	11949	875	0	0	68566	59792	0	23907	17686	28128	30525	21738	0	43384	26756	15993	23514	21418	11985	23989	42702	57222	34036	14029	35105	20697	15303	15414	28547	22607	11205	9024	11474	11666	8406	0	16930	38589	36356	21449	55946	16282	30649	25455	24010	33745	19831	19243	22154	25818	30701	40782	45925	63856	0	31854	33530	20456	26033	19415	25786	13689	23493	50267	21908	22361	0	24659	47907	Phytochemical	0.47619048	1.0476191	0.0952381
12	C21 H22 O10 N2	463.13474	463.13544	0.046897016	463.13474	77900	95082	85088	84552	61445	46748	61257	70207	65397	146058	94480	39294	88944	25073	53675	58760	52009	80642	83580	142261	153793	208776	61823	71426	36584	32125	42262	41450	55956	40024	51937	53479	85106	48814	254286	42988	62227	48541	67061	155375	198203	39868	543	0	0	179105	232260	0	52272	47719	85942	89864	45308	0	90711	47311	34321	71566	72538	71118	54165	135446	138875	78157	29931	92739	49305	73132	73146	80504	103961	55379	50851	40870	43689	43060	0	47869	58074	79738	51991	122384	40568	66904	60757	36055	59883	44152	43019	108243	47946	77980	101365	145396	114475	0	85909	87348	59063	55992	57892	68114	40645	57828	156842	68486	48376	0	44081	117012	Phytochemical	0.47619048	1.0476191	0.0952381
22	C26 H22 O8	463.13873	463.1393	0.001171346	463.13873	17847	15716	16100	14319	17711	9109	3312	2362	18917	47339	62047	4086	14626	8952	4683	3296	1767	13080	15777	33592	39472	19546	4002	2775	5051	112347	2696	52337	4005	2657	1283	0	4070	1392	50956	1539	5944	5080	6051	25921	31664	5128	0	0	0	21579	33998	0	1332	3392	15120	11964	13986	0	16006	11514	7416	4118	4844	5442	4473	18880	19335	13485	6826	14950	9007	2496	89166	89999	120144	3664	2548	1267	1704	1753	0	2665	13130	26531	7618	20778	3739	25053	20445	11111	9595	9755	7547	9688	6079	11574	6133	33929	32203	0	14101	12428	16887	16659	13953	5295	3112	5100	18407	4091	19026	0	4601	9915	Phytochemical	0.30769232	0.84615386	0.0
20	C26 H22 O8	463.13873	463.13934	0.047871016	463.13876	13556	12008	12609	10922	10507	7183	3800	3182	12089	46116	50518	2887	8806	12057	3651	2781	3872	8535	13619	33693	34691	21116	5279	4616	3395	87850	3859	37649	3709	1566	2760	2973	4360	3648	66712	0	7400	4249	3062	26041	26681	4085	0	0	0	16079	20206	0	2536	2130	12431	20065	9110	0	9547	10461	6548	7448	4937	6582	3581	16766	16341	6259	7543	9147	9838	4155	81162	85767	118385	1865	2826	0	2436	2562	0	2835	8848	18064	6775	11159	5609	22612	18428	7253	12781	7805	4827	11868	8290	7780	8119	24284	19027	0	16979	8712	19470	10810	7483	3788	2312	4965	11743	6012	15789	0	4613	13107	Phytochemical	0.30769232	0.84615386	0.0
24	C26 H22 O8	463.13873	463.13928	0.029960196	463.13876	9503	10087	11283	10583	11450	3993	1585	1852	10867	31947	28501	2007	6600	7490	2591	3194	3166	8607	9975	19748	15311	15866	2787	1879	4194	56459	1140	22351	2222	1565	0	0	0	1320	37227	0	2022	1900	2981	13662	20339	2050	0	0	0	11209	25162	0	1087	0	7444	8525	5840	0	8404	9219	4030	1484	1880	2344	2405	13402	11937	8352	4372	7019	5901	0	68305	54822	82365	1332	0	0	0	1745	0	1716	9900	16402	6868	16602	2108	18481	16332	6869	5394	3203	5632	4885	6551	4881	6073	17991	17723	0	9574	4821	14765	10674	8903	3645	1162	4909	9486	1641	8616	0	3162	11128	Phytochemical	0.30769232	0.84615386	0.0
18	C26 H22 O8	463.13873	463.13937	-0.01175272	463.13873	8693	4464	5774	5436	6779	2275	2884	4177	9387	23235	27809	4471	4271	6363	2114	2250	1692	5087	9280	14298	17067	8166	4178	3721	2510	36545	2619	15875	3407	2105	3042	0	4193	0	31213	3170	3281	2597	3285	12007	15393	4229	0	0	0	9151	9010	0	4063	2928	5822	6063	3311	0	2806	3838	4467	2510	4585	2418	2715	7502	7892	3650	3554	6090	7018	2772	39172	44137	68573	2295	0	0	2756	0	0	2674	4938	9003	7146	7426	4203	11891	5214	4271	7274	3675	0	4571	6713	7388	4759	9791	9990	0	7647	5882	9736	6795	6939	1720	4239	3433	8082	4215	6120	0	3704	6584	Phytochemical	0.30769232	0.84615386	0.0
26	C26 H22 O8	463.13873	463.1393	0.019093124	463.13876	3306	4278	3264	2774	3452	2706	0	0	4279	6881	11561	0	0	0	0	0	0	5321	0	8390	7762	6801	0	0	0	21406	0	7292	0	0	0	0	0	0	15178	0	0	0	0	7128	10069	0	0	0	0	0	10450	0	0	0	3785	5158	3267	0	0	0	0	0	0	0	0	4923	4936	2767	0	4022	2651	0	34202	20198	47059	0	0	0	0	0	0	0	4418	8113	0	4499	0	4987	6728	0	2627	0	0	1736	1398	0	0	8741	6938	0	4527	0	4433	8231	0	0	0	0	0	0	0	0	0	4501	Phytochemical	0.30769232	0.84615386	0.0
22	C23 H26 O8 S1	463.14212	463.1427	0.22314635	463.1422	30252	12731	31012	29690	13577	10476	4683	3303	33082	64921	38271	2257	18363	0	14986	9389	4247	17062	14722	61896	63627	75170	4502	5999	4451	93220	3580	62242	4410	0	1909	0	8420	2343	74411	2420	9062	2554	2029	43636	53370	4528	0	0	0	25434	24078	0	3222	3673	18482	38724	23400	423	16278	7323	11732	5445	22270	8029	4724	38426	19202	8760	4562	13763	8050	3264	82140	162738	72493	3728	2977	2084	2299	3070	0	0	21246	51318	2921	17863	9193	33611	15649	5623	7059	3633	5594	12026	23057	32868	10717	33108	54783	0	18114	21736	13553	17244	5043	4027	1944	19188	20763	11978	11118	0	4107	16125	Organosulfur	0.3478261	1.1304348	0.0
14	C27 H26 O5 S1	463.15738	463.15762	-0.7611503	463.157	4364	5944	4385	3625	4888	5485	8070	9141	4749	5190	3259	4566	6650	2430	4222	5462	3906	6702	5967	12643	7222	10937	7512	0	6084	6203	3926	0	5629	4739	1387	0	10838	3039	7624	3721	7449	3995	9847	6417	9586	2754	0	0	0	9079	5674	0	2808	0	5385	7002	5180	0	8588	4899	3406	5303	0	0	0	10181	6212	0	2788	11343	5927	6571	0	8767	6683	4232	9747	4804	17694	4162	0	4834	6397	0	5705	5898	4644	8514	3736	0	5528	3018	6367	8650	8748	13984	23547	4829	6615	0	7534	5198	5207	4755	2817	5150	7881	8200	0	5231	4487	0	4757	6125	Organosulfur	0.18518518	0.962963	0.0
28	C23 H26 O10	463.15988	463.1605	0.07650671	463.1599	11495	11413	9594	8748	12607	9925	3611	7985	12248	25990	8130	2603	27019	7570	8202	8172	3594	15686	12126	24306	27580	11686	10652	8164	4845	14885	4630	8393	7351	5259	4851	4249	7984	7392	29478	3700	7772	5166	3308	14420	7597	5035	0	0	0	12239	14101	0	7561	5252	9343	9045	9291	0	13827	12507	5247	7962	3815	3143	7485	8443	22897	13674	5002	20020	5341	3792	19742	34573	25959	7120	4888	3612	0	5415	0	4790	11493	4831	7734	8976	4210	8902	15004	6548	10605	3106	5043	4121	8090	8828	7533	6145	12509	0	10425	9878	10664	12186	11941	5538	4410	5159	6436	5373	7803	0	3937	19728	Phytochemical	0.4347826	1.1304348	0.0
26	C23 H26 O10	463.15988	463.1605	0.107746765	463.1599	26120	20845	20371	16890	23931	16469	2961	10702	25887	63181	12107	6402	49220	11989	11563	13308	0	33590	26435	49577	41984	24164	15748	20999	7693	23636	5709	15047	7534	6782	11589	8063	8147	9614	54332	5591	14628	11660	5195	30980	16971	7783	0	0	0	25248	24912	0	11204	11609	19744	20467	15268	0	32769	21352	9561	12011	10573	7434	13915	18516	48969	27030	7053	28987	10415	4778	29020	52098	42590	12610	9037	7758	0	6631	0	8444	21707	10194	18520	14156	10127	16337	33523	11726	12802	8926	10284	6264	17376	10650	15768	16704	28575	0	18294	21902	22794	25230	21135	8363	6681	9786	14985	9455	17241	0	10706	42559	Phytochemical	0.4347826	1.1304348	0.0
6	C23 H26 O10	463.15988	463.1607	0.045608293	463.15988	21402	16630	11077	19626	8488	9155	5944	11786	8481	20567	5334	10599	14378	0	10329	15001	4812	10937	17389	20427	37285	28526	10659	8620	5650	8459	6246	4834	13653	15678	16332	15337	20175	12238	39125	15197	14800	11401	22192	17076	31398	10746	0	0	520	19755	30295	0	5926	17212	5090	16057	12621	0	15333	9863	7086	11553	9989	17897	17903	14995	12141	7097	3130	12095	7972	8670	8684	12302	19429	13218	13994	10262	11747	18842	0	9907	18862	0	15301	18771	12787	10594	15397	7869	16621	10089	7604	23510	0	13104	17816	10128	12784	0	15243	16735	6218	8027	10460	26358	12258	20443	0	11392	7958	0	10188	23368	Phytochemical	0.4347826	1.1304348	0.0
18	C22 H26 O9 N2	463.1711	463.1717	-0.030806115	463.17108	60553	53972	60506	57039	37776	44112	43154	58662	36826	106883	52294	36535	60118	28831	53061	53583	37850	57795	72164	96918	78388	92857	47646	67293	58732	21861	34950	35348	70608	45455	56641	48534	75930	61285	110798	56966	84748	48509	38211	85589	50582	37188	950	0	0	84539	49263	0	68235	48283	61854	66815	37405	302	64050	33354	29441	69220	54092	25299	64944	61871	60331	37248	23626	53673	47050	36974	20681	56466	34285	59229	44924	46557	31183	47018	0	44450	45503	49396	43777	45084	49839	47417	36925	30883	56334	44023	41293	60744	81149	97526	126936	53052	74589	0	60939	62138	28948	33004	29516	70414	32762	66169	42409	67607	33809	0	53458	68617	Phytochemical	0.4090909	1.1818181	0.09090909
16	C22 H26 O9 N2	463.1711	463.17172	-0.05146184	463.17108	120255	106657	100937	111785	67766	68107	79245	119758	74392	190056	78790	61087	89596	38230	102763	109800	70815	105746	114851	168052	153125	182487	96519	138456	102232	54380	59941	81008	99448	86306	106579	116913	148572	95052	226653	100448	138149	75463	75575	162273	103525	66861	1790	0	0	133389	100392	0	116066	99095	119064	109037	70569	267	92363	59034	47068	121068	113014	61894	133180	96022	96427	68992	34515	85804	74733	69881	52848	115374	75917	112145	99351	89572	61161	95422	0	78140	94226	93973	73494	83334	90859	102688	51470	48403	87435	67101	66495	112630	133318	163488	236930	96765	139997	443	112535	106724	43980	43108	51007	115866	66344	124276	71065	134503	47342	0	89164	114383	Phytochemical	0.4090909	1.1818181	0.09090909
6	C22 H26 O9 N2	463.1711	463.1719	-0.002114078	463.1711	31171	33714	28706	28812	19344	13088	14267	27723	22501	69337	30300	15470	31230	8344	18046	35112	21754	24956	32146	47319	60943	55633	17459	32746	11095	14690	14963	21342	23659	17348	20774	28617	35256	22408	81278	21070	29929	17362	35018	45112	51841	14312	0	0	0	43660	54491	0	27249	21439	31331	33514	16578	0	32124	18382	11648	27688	19141	24494	29979	29823	30343	24550	10358	24876	21039	33597	18739	25504	33537	22007	18540	18406	12823	21492	0	14432	21932	19856	15139	22753	14431	22981	19127	14394	23631	16082	17049	37304	23653	36717	43318	34961	53808	0	30937	28237	15200	18768	19786	30287	13912	36393	34477	29756	15153	0	16283	31821	Phytochemical	0.4090909	1.1818181	0.09090909
20	C22 H26 O9 N2	463.1711	463.17172	0.073004514	463.17114	21655	20972	18621	18348	16657	20223	19146	19377	18921	41205	16932	12152	30222	9994	19849	8094	8949	22179	23057	27858	28595	33314	20416	29531	24885	5687	10596	10738	18929	13625	14757	19514	23554	18576	47492	14556	32332	13263	15429	33466	20080	10709	0	0	0	26609	17877	0	15132	17480	22571	19872	18970	0	17543	10730	10742	25390	21738	10429	25330	27589	14206	16576	9814	20134	16722	14250	10731	20718	15313	18091	17010	11828	9429	12311	0	12955	18657	12497	16390	17487	15003	19902	13090	12387	16876	11490	14651	15903	29254	38994	43717	23284	24326	0	19979	19507	12915	11013	13863	20395	11090	22725	20991	30370	10382	0	20439	32841	Phytochemical	0.4090909	1.1818181	0.09090909
14	C22 H26 O9 N2	463.1711	463.17175	-0.041705728	463.17108	148011	143857	134043	143137	79278	81909	100282	153218	81560	236331	133290	85372	102293	47955	113622	157389	109184	118942	125495	235568	216644	272890	110053	160832	119123	74997	81812	116117	128969	121837	130163	155541	167646	117636	299873	137018	167130	103657	108176	229132	164180	78288	0	0	0	199969	150566	0	145570	123025	143311	127974	77494	0	114354	59305	54974	167603	197354	113861	168836	174603	108974	90255	54624	99399	91985	98671	77488	166815	98612	130318	113210	125024	84613	120822	0	103742	116166	112385	93576	112390	115292	122363	75941	57137	124116	87404	90775	156191	169156	186863	231623	142249	174336	410	153280	135020	55992	67231	66950	159873	92209	185129	167106	144612	56935	0	109549	122428	Phytochemical	0.4090909	1.1818181	0.09090909
28	C27 H26 O7	463.17514	463.17557	0.02414872	463.17514	3525	3161	2377	2473	1891	0	0	0	3032	4305	5507	0	3941	1814	2216	0	0	2769	3454	2738	3761	1513	0	0	0	14608	0	4746	0	0	1888	0	0	1085	5852	0	1386	0	1887	2975	5580	0	0	0	0	0	2516	0	1053	0	2745	2925	2237	0	2210	2172	2195	1816	1462	1236	0	2139	4028	1451	1685	2830	2505	0	19930	13728	27466	1096	0	0	0	0	0	1189	2984	3901	1827	1986	1207	2906	2867	0	2704	0	1189	1980	1095	0	2639	3817	2638	0	2949	2161	2548	4267	5246	0	0	0	0	1676	1351	0	1623	2421	Phytochemical	0.25925925	0.962963	0.0
18	C27 H26 O7	463.17514	463.17572	-0.027646773	463.1751	11328	11150	7550	7474	8560	2652	2750	4369	6601	10379	13285	6155	5377	6425	3797	8761	4405	3527	9355	20167	12902	9909	7099	6952	0	44298	3935	13204	5556	4145	4611	5006	6553	0	15104	4854	4787	4589	9495	12560	14577	4233	0	0	0	7027	7174	0	6736	3697	8282	6552	7773	0	3031	7542	4648	9876	2806	5267	4559	5187	4855	6531	2764	6847	8210	7492	29395	39848	56246	4369	2638	6160	4007	7088	0	4651	11314	7657	8474	9755	4051	11225	5879	3438	11638	5185	5558	16445	6390	5713	8380	7027	6583	0	6742	6528	5684	7952	5596	6750	5059	9459	3623	7852	8067	0	7067	3513	Phytochemical	0.25925925	0.962963	0.0
22	C27 H26 O7	463.17514	463.17572	0.025581736	463.17514	32013	30476	26086	30475	28792	17610	7435	15033	26695	64314	74538	9081	21146	22706	10883	11162	15572	24562	25546	50769	76852	22055	17919	14774	12862	182905	5994	64442	7698	8454	10945	9554	17305	8295	69947	8205	14259	15005	13558	47917	60146	10620	0	0	0	30094	35681	0	10233	13575	24159	27933	21519	0	26836	23748	17041	16971	13340	14601	19904	32673	24560	22660	15878	25603	19809	9433	151083	138658	201276	11706	7709	5655	7499	9862	0	7240	22869	28977	21912	18552	14023	44024	33941	18976	26131	15148	14799	21485	17025	16578	20177	34317	30578	0	25098	27984	30269	31514	27800	7933	11501	14838	23936	14011	29887	0	12062	21379	Phytochemical	0.25925925	0.962963	0.0
24	C27 H26 O7	463.17514	463.1757	0.009632836	463.17514	27454	21743	20300	22159	18885	14112	2725	9507	22169	49135	60810	6596	20365	13566	8816	9977	4859	20480	26633	44479	42689	15915	14330	8191	9113	147538	4186	45448	4850	7391	4535	7551	4815	8440	53285	7690	11297	5523	4567	33687	46386	10564	0	0	0	26987	36217	0	9006	6188	21731	21847	18806	0	18595	21001	11872	9084	10567	8627	9729	27658	21992	21314	10080	24212	20926	5768	138216	114786	172502	5615	4288	3766	4679	3812	0	5926	22371	22955	15292	23417	9890	41920	30438	14666	18847	8389	9826	15046	8712	11960	14620	29358	17945	0	20559	23186	22107	24600	25092	7046	6318	12614	17229	8400	21831	0	10144	18545	Phytochemical	0.25925925	0.962963	0.0
24	C24 H30 O7 S1	463.1785	463.179	0.19917059	463.1786	36444	19994	19490	40418	13185	8743	2644	11732	12307	62585	38389	2801	16698	4843	5017	7793	7104	15102	19211	65369	66955	32346	9255	7737	16386	55718	3273	84452	2950	2824	9318	7189	7666	4394	80578	4614	11704	10414	7625	50780	71870	5467	0	0	0	39914	44744	0	5955	2719	40684	15730	14300	0	9065	9125	8148	20542	18635	29718	6968	69162	9189	13660	5205	28242	8268	5577	45767	163972	110752	3020	5831	2720	5522	2868	0	3245	17146	34267	10038	19877	17515	80580	13608	7753	9685	7832	10080	11711	41143	99348	29512	38658	58113	0	35224	20603	10995	8833	9569	9973	4583	25853	21542	10043	17196	0	14044	14783	Organosulfur	0.29166666	1.25	0.0
12	C21 H26 O8 N4	463.18234	463.18317	-0.0159186	463.18234	9366	4739	0	5344	3706	4162	6221	10139	0	5339	5320	3989	3241	0	7673	8940	10698	3309	10098	4470	5386	9572	8367	12450	6883	0	4655	0	10452	9126	9924	9410	8879	5214	8857	8643	9926	5953	7246	0	5128	3471	0	0	0	7100	0	0	8715	6232	4768	0	4131	0	5357	0	2982	9281	9397	0	0	3992	3376	3368	2957	5798	3326	9649	0	0	0	7790	5095	6971	3096	7781	0	7345	9611	0	6410	3939	6706	3743	0	3932	7656	4918	4380	19763	7615	14210	20250	0	3443	0	9600	9145	2071	1980	0	13144	7173	4860	0	8976	3399	0	8017	0	Peptide	0.3809524	1.2380953	0.1904762
6	C21 H26 O8 N4	463.18234	463.18307	-0.07476123	463.1823	8775	12229	9691	9007	3084	5583	6281	11824	4505	9427	4556	10641	4837	1697	10345	13995	26383	6835	10682	6798	7009	14343	10890	13919	6839	0	5856	8026	9797	10425	10810	11346	14835	9486	12586	7867	13835	8506	25532	9370	7669	10204	0	0	0	8705	7923	0	14883	10062	11675	9384	8545	0	6479	2133	4398	13587	9029	6503	17227	6785	4202	4038	4331	7672	9068	27494	0	2600	0	10203	10413	7421	0	6646	0	8216	9489	13756	7923	4532	5271	3633	3346	4206	10438	12228	16205	20387	32255	30361	27477	10227	8034	0	11369	8264	1556	2107	3004	10716	8674	12657	0	17722	2701	0	9383	6248	Peptide	0.3809524	1.2380953	0.1904762
10	C21 H26 O8 N4	463.18234	463.18304	-0.0683946	463.1823	10747	15406	9662	10740	4286	4951	10920	10248	3942	7392	0	7558	4601	0	10551	13782	10583	6636	7059	5789	8079	17582	12563	15257	12107	0	6566	10030	15855	9099	13496	12740	15243	13553	6757	12882	14160	8659	11098	9312	8185	5884	0	0	0	9312	5404	0	12765	11018	12340	13007	4779	0	4928	2483	3856	19977	10748	8751	10891	4575	4332	0	3609	5297	8126	13375	0	0	0	12698	13204	12040	10233	6962	0	6061	11866	7889	9414	6078	10574	5126	2087	4174	10160	4781	5810	20598	35252	25516	26616	5208	9715	0	11112	13319	0	0	2345	14065	6507	12738	0	17751	2232	0	12949	3854	Peptide	0.3809524	1.2380953	0.1904762
10	C28 H30 O4 S1	463.19376	463.19537	0.0376826	463.1938	9070	7779	7216	6185	2761	4507	5501	11011	1764	8624	11841	5063	3947	0	6491	7796	8396	5698	11690	11111	8535	16183	6835	10554	7429	1637	7958	0	9689	6793	7305	11374	10494	9710	8292	7054	12212	5685	10333	14567	10654	4338	0	0	0	11644	12432	0	11238	7120	7843	6945	4186	0	0	1877	3357	16390	36204	7280	10893	17691	0	5359	3185	5345	3755	10060	0	5383	4506	10492	8700	8172	12770	7278	0	6102	7562	5596	8154	4888	9546	7010	2562	3790	8744	4735	6197	16132	8652	11875	24597	5801	14752	0	13215	7273	3952	3016	2634	10334	7211	15314	474303	10282	2833	0	9356	7191	Organosulfur	0.14285715	1.0714285	0.0
24	C24 H30 O9	463.19626	463.1968	0.024120687	463.19626	147701	141335	140997	142529	140161	117811	57528	118730	165618	352799	122811	75012	248153	83744	120523	114896	63610	199805	205208	279674	261795	137170	131293	142002	98555	202664	50525	105588	110420	97243	102102	105620	136788	99827	354236	103068	162428	86052	71856	175645	105198	69511	4875	0	0	152064	103771	0	118967	102649	148248	141762	115641	0	208516	127808	69745	123515	107082	51029	131090	122151	202853	155010	55686	158355	90820	62658	181814	380084	286968	115603	101160	97365	68912	86636	0	101180	150773	58176	122455	86072	75616	109698	145411	85374	121805	67054	89345	85132	119432	138978	157009	78897	133978	0	137515	140300	106143	119182	127939	106097	73648	111290	89584	120530	98613	0	83389	243100	Phytochemical	0.375	1.25	0.0
10	C24 H30 O9	463.19626	463.19693	6.98375E-4	463.19626	25353	26383	20355	25082	9475	8513	19097	28099	13661	54750	16313	19514	10193	7053	17210	33073	21340	11300	16448	61252	60592	52946	21804	31603	14762	25881	21714	10481	25473	25787	24141	23207	22679	14057	57014	28080	19992	19700	25647	37952	47552	9530	0	455	0	19047	25927	0	28541	25842	47038	26455	10532	0	17030	12540	9158	26529	16311	24285	33376	17769	12100	11270	7014	8651	9697	32773	24801	67582	34374	22055	18471	28992	23936	24403	0	16846	25063	12305	24812	18696	24527	15372	15146	8668	21938	4165	10411	28779	14996	21774	26876	31498	42566	521	18210	23929	11841	13893	14891	23332	18149	30728	0	20681	11334	0	23079	9383	Phytochemical	0.375	1.25	0.0
26	C24 H30 O9	463.19626	463.19684	-0.013717876	463.19626	43600	48241	50289	44447	53781	37870	17102	46748	50198	100920	37813	21619	90877	26997	33375	48459	21325	75964	61281	88392	101119	44694	45521	50459	27706	63768	15131	32214	33467	32198	36974	27212	40403	34380	107595	33184	48796	24044	25030	57056	35492	20020	0	0	0	41827	36734	0	35702	30945	51695	48765	35550	0	72890	58452	25152	45911	27462	15719	38101	35593	79616	47443	18856	59667	35396	21656	67930	128302	104849	37823	39266	28610	24564	31519	0	27777	50629	18829	42171	25791	25942	38959	53911	29871	45686	23668	26766	25886	34169	41171	54159	20675	40424	0	42017	56383	34027	46293	42944	41204	21148	32366	17665	30586	33324	0	25243	77381	Phytochemical	0.375	1.25	0.0
12	C24 H30 O9	463.19626	463.19693	-0.025933664	463.19626	100040	105619	91019	87620	38190	32193	91168	212728	49435	176912	80396	63895	37944	26137	56442	116956	81554	36874	56800	113181	197978	97525	69457	114360	52976	171456	78428	59222	75550	85721	154676	88612	77558	62272	90237	162450	70557	76565	106855	78676	107016	40228	967	370	482	89426	97950	407	177104	199726	97401	97349	39797	468	57761	48635	37107	101563	76666	101469	119764	60637	64966	44761	27839	48664	37312	96832	69962	227856	239376	67586	72268	93930	87171	87040	0	63933	80199	43540	78246	127124	74659	111620	58938	32291	92951	27916	41587	130241	70851	81406	180312	55471	72630	763	97299	99411	51106	47888	51365	88205	58726	112182	54284	66418	49986	364	69496	53768	Phytochemical	0.375	1.25	0.0
28	C24 H30 O9	463.19626	463.19684	0.005463607	463.19626	20519	16693	16179	18432	21105	13060	8090	16566	18865	40028	13356	6836	34090	12280	14275	20503	11383	27836	24877	42200	42150	18208	16352	19236	15572	31532	8272	18274	13286	10269	15327	12219	15574	14090	43098	12313	15833	10622	10871	20128	16095	11782	0	0	0	15783	16211	0	14623	12753	18846	19158	15121	0	23024	18088	7557	19036	8920	5770	14150	11718	28356	17510	5792	25494	11649	7827	31761	57073	49650	15069	10729	12811	8800	10920	0	8380	17584	9179	14027	9816	9849	14477	25961	12624	22191	11850	10499	10960	20012	26074	22236	8038	15580	0	17627	17443	11243	18675	19197	15942	8382	16597	9916	12985	10574	0	9340	26505	Phytochemical	0.375	1.25	0.0
14	C24 H30 O9	463.19626	463.19693	-0.00359998	463.19626	512784	477686	232483	480168	131191	112121	206111	518804	162062	654776	227482	171609	143674	91359	393824	270923	231218	149203	172931	743854	651652	248447	391690	290005	338656	297879	379282	218905	415344	460098	419078	284570	442764	172491	650656	249709	408864	185558	231482	458356	274671	138434	5695	688	529	404992	245172	520	227913	489716	464592	222533	118388	869	189067	136614	120522	560490	258201	247562	279109	311434	185305	172395	95194	149485	132764	497482	297053	729492	823028	374080	375198	513766	210192	444872	364	331870	256215	193967	488496	341780	404838	368360	180344	115744	241722	111719	136250	314252	198025	192493	550984	155845	341660	1803	237521	225005	148509	159571	149251	218738	163597	288969	196060	422010	137983	419	402546	166814	Phytochemical	0.375	1.25	0.0
2	C18 H30 O10 N4	463.20346	463.2044	0.10880061	463.20352	1725	2686	1588	2022	632	0	641	1800	744	502	2993	1129	1032	844	996	0	933	1407	1377	0	0	1676	1378	1303	541	0	0	22726	2527	583	2317	1703	2630	2159	795	1410	3349	973	2042	0	0	0	0	0	0	0	0	0	1756	1141	2695	3651	0	0	1242	438	444	1757	0	0	0	0	775	462	0	2061	1235	1532	0	0	0	3959	2760	1460	277	626	0	739	552	68080	1033	0	0	0	389	642	1428	2383	1478	2087	35918	11523	3125	15801	0	0	2070	2945	0	564	402	877	1423	0	0	2056	898	0	1050	1749	Peptide	0.5555556	1.6666666	0.22222222
4	C18 H30 O10 N4	463.20346	463.2043	0.23132165	463.20358	0	669	1043	824	522	548	0	0	0	0	0	0	0	0	538	743	0	0	389	0	0	0	0	597	0	0	0	8621	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	890	1120	0	0	0	0	0	573	0	0	0	0	406	0	0	357	0	0	0	0	0	0	0	0	0	0	0	481	0	82188	0	0	0	0	479	0	0	0	0	679	76673	15406	921	12307	2253	0	787	917	0	0	0	0	0	0	0	658	0	0	0	393	Peptide	0.5555556	1.6666666	0.22222222
12	C23 H30 O8 N2	463.2075	463.20816	-0.08149321	463.20746	47092	40869	51156	42724	17744	28997	33287	73356	26356	84358	41855	33450	25045	13351	44917	50925	51042	29878	45955	95707	87738	88671	44743	71277	48482	35073	26786	29892	58214	43224	58880	48222	67359	46032	119133	49289	62974	46222	49197	86131	68426	28548	0	0	0	77992	48614	0	49221	51050	52386	44116	29932	0	31872	17483	18469	55025	55821	42917	38296	47584	24420	25069	13071	28907	33573	49033	25346	75947	45526	49966	45328	44612	28914	43528	0	40764	42155	34513	37205	32350	43798	45431	16803	19681	44544	22385	28417	82201	72494	74121	95871	53270	61047	0	51753	53731	16209	16172	18527	49243	33761	55452	24036	51097	19431	0	45576	31538	Phytochemical	0.3478261	1.3043479	0.08695652
10	C23 H30 O8 N2	463.2075	463.2082	-0.044075202	463.20746	51602	47590	44308	34205	18200	23139	34116	61281	21261	69233	30008	26447	24145	15587	32587	45575	32691	28530	38428	84125	64655	78312	33998	57426	41582	22398	32015	31516	44507	37552	39885	48102	63217	44145	97890	45132	54277	31157	36356	74678	47213	21357	536	0	0	54254	41023	0	48505	39760	44758	45136	21510	0	27347	14249	12150	54831	19292	29658	50123	35351	19106	28253	14220	28487	22199	42614	18770	47583	39634	47675	37250	35140	25784	38560	0	27001	36270	33059	28739	23038	23815	32836	16356	15933	35247	22414	26070	48769	75684	69442	90094	34968	67196	0	45224	41683	20143	16241	15629	51605	25548	55163	24021	42388	13605	0	32860	28518	Phytochemical	0.3478261	1.3043479	0.08695652
14	C23 H30 O8 N2	463.2075	463.20813	-0.10083713	463.20746	74322	69890	62357	75177	29893	31647	56145	81640	30189	99706	53310	39052	38976	16523	58386	74637	56152	38339	51220	111769	85292	117521	56899	92940	64150	31721	47611	50516	79950	66146	71802	66249	90954	62144	127295	76184	81312	50145	61725	104185	60383	38259	0	0	0	85341	56437	0	78967	64381	59892	72722	34517	0	41605	24713	22324	80154	82153	44804	66465	61910	30642	27922	25103	33629	41726	60383	22626	83959	51932	63715	63263	76677	52166	65232	0	52113	52209	42172	50380	45619	56914	57329	20206	23577	54993	38791	45305	88038	92285	106942	120017	50369	83860	0	60896	58531	24835	24217	25401	75090	48118	91102	35847	79458	17967	0	53526	31941	Phytochemical	0.3478261	1.3043479	0.08695652
20	C23 H30 O8 N2	463.2075	463.20804	-0.061152533	463.20746	17058	25245	22786	16334	8825	18490	16728	24153	13791	34764	15427	11470	18273	8120	23557	22616	12643	19036	19951	33497	25794	33547	20326	39431	24316	3947	16400	12090	23418	17373	29492	22979	41074	24850	30482	28462	33744	14922	19210	32816	15613	15327	0	0	0	29310	7428	0	31928	18032	17222	26989	15944	0	12622	10721	6584	31243	32849	7090	31578	20187	9985	5695	8454	16559	16380	16725	5186	17798	8012	22294	22237	20619	15706	17179	0	18303	15187	10681	14779	9918	21388	16518	6866	11392	19883	16113	15937	26313	43117	52872	55711	12672	18696	0	21349	24920	7384	8291	3994	30509	14938	32430	12572	34205	6741	0	20010	19790	Phytochemical	0.3478261	1.3043479	0.08695652
28	C28 H30 O6	463.21152	463.212	-0.054333813	463.2115	3183	2528	5155	3873	4592	1584	1607	3685	3418	3941	6313	1532	6851	1916	0	2868	3315	3374	6415	5344	6082	4257	2229	2963	3188	21136	3008	6783	0	0	3216	1630	3063	2590	5007	2977	3693	1138	2587	4808	9362	0	0	0	0	4647	3288	0	2811	0	2751	5450	3639	0	2559	3791	3054	2066	1415	2263	2773	2416	4476	2328	1294	5925	3237	1968	22202	14002	28485	2762	2003	0	0	2895	0	0	6127	3417	2449	3973	2661	7799	4832	2593	5438	2666	2520	4430	2379	2525	4315	2932	4197	0	4099	4509	2393	10332	6072	2058	2034	3045	0	3039	2884	0	2671	4218	Phytochemical	0.21428572	1.0714285	0.0
22	C28 H30 O6	463.21152	463.21207	-0.039909746	463.2115	43944	35276	31908	38963	47833	22990	19962	32878	30312	39924	61629	22354	24700	28628	24272	32326	34093	21666	37234	70515	70026	34402	31673	37847	23750	178277	18617	55098	24581	26971	28955	26629	31471	23506	60532	26260	33846	27096	30937	54603	74019	21971	0	0	0	37865	38418	0	27368	23395	39847	43483	35255	0	39194	28313	24775	36406	23919	28026	37380	38603	31498	25924	19502	34523	31970	32260	128663	142831	208895	21621	23650	21851	22013	21133	0	23699	48534	34335	37727	25038	27838	46551	43523	25176	49516	28219	25965	38816	32570	27287	47614	29292	35849	0	35968	38667	35670	40683	44818	39944	21061	39663	26448	33092	29779	0	29100	25509	Phytochemical	0.21428572	1.0714285	0.0
20	C28 H30 O6	463.21152	463.21207	-0.039465953	463.2115	20673	26654	18315	23233	22850	8941	13032	21643	14259	21363	25523	17745	8886	15145	17907	23684	27458	9565	24634	26797	26231	14448	16839	22506	14557	76657	12639	24300	16128	15817	16732	13518	17944	12882	21673	16166	14391	13300	22600	23995	40324	13364	0	0	0	10329	14478	0	16426	17448	17344	18843	16771	0	11422	19911	15160	16894	13271	17824	22120	12574	14818	10891	10525	16566	14254	22643	55837	59586	100381	12969	12507	18757	18875	18744	0	12443	33881	19525	25687	11470	10838	21412	22808	15178	28602	11147	15675	38457	18196	19776	29527	9131	14430	0	18761	16776	19730	24362	17429	19213	14919	22083	8617	15357	18613	0	19728	17353	Phytochemical	0.21428572	1.0714285	0.0
24	C28 H30 O6	463.21152	463.21207	-0.018998386	463.21152	42709	43695	42674	44275	46895	24867	14715	30919	35513	57921	90777	21635	36208	31626	26186	79066	26338	31491	48984	73473	75524	36057	32650	35236	30196	224323	17739	73238	26650	26338	27784	50662	35188	23362	64937	32372	31234	25205	29670	66669	80707	28649	4122	0	0	41624	51053	0	32252	30584	41851	40491	32975	0	29871	37569	25294	40127	27732	23193	35233	48685	37872	38486	18124	46809	38544	27081	210824	158221	230328	25493	25177	26973	15838	25728	0	24602	46940	40745	30449	30546	21944	66934	56934	28741	53038	27705	31717	39541	29060	29895	43906	34236	42563	0	46088	45915	37516	43862	50465	36438	20811	40763	28490	29938	41699	0	27334	32716	Phytochemical	0.21428572	1.0714285	0.0
26	C28 H30 O6	463.21152	463.2121	0.011653847	463.21152	22320	19243	24594	18108	23045	9181	4750	19016	20185	26485	51064	8831	23130	13345	10487	13169	13133	14589	25445	43778	39644	19839	12820	18732	12154	117164	6382	38477	13911	13458	12983	11628	15672	11292	35425	12060	14719	13174	12096	34448	43904	11522	0	0	0	22209	25533	0	14156	10014	24873	24045	19457	0	20795	23523	13479	14462	11341	9681	15991	24615	19614	20035	6885	23005	23483	12187	125974	78218	108047	13176	12069	11047	0	13028	0	12104	26928	19979	16681	17519	14231	34583	32009	14232	23639	13585	12263	13050	11338	15177	25117	22368	17803	0	19650	25647	20763	40785	33755	17070	9160	22647	15451	12788	21026	0	12534	14308	Phytochemical	0.21428572	1.0714285	0.0
16	C22 H30 O7 N4	463.21872	463.2194	0.09807637	463.21878	0	0	0	3051	0	0	10749	2357	0	0	0	5249	0	0	2736	3137	23672	0	2523	0	0	0	0	2120	4045	0	10026	0	6410	4236	4961	11611	5172	0	0	6040	5012	4996	22741	0	0	0	0	0	0	0	0	0	5830	4007	0	2692	0	0	0	0	1291	0	0	0	0	0	0	0	0	0	1548	20752	0	0	1527	3849	5519	5865	11409	6430	0	5324	2875	0	4212	0	0	0	0	1188	0	2725	2001	0	5809	0	0	1447	3499	0	0	4050	0	0	0	4141	5635	0	0	0	1051	0	3770	0	Peptide	0.3181818	1.3636364	0.18181819
6	C22 H30 O7 N4	463.21872	463.21942	0.061273847	463.21875	5242	7028	4110	6280	1022	3091	3830	6062	1443	3082	1770	3036	653	467	4538	4576	3179	1423	2663	3547	2751	5450	3148	6790	4314	0	1738	9290	4311	4809	3736	4041	5232	4342	4510	5269	5783	3395	5425	3289	1885	2220	0	0	0	2978	0	0	6766	3680	8468	6536	1111	0	1925	561	1682	6909	2184	915	6078	1857	1709	1265	1310	2449	2335	6640	0	2316	0	4287	2573	4624	2316	4544	0	2810	3512	46862	2859	1714	2507	1786	0	2334	5876	2448	2026	9664	124409	36485	11306	5885	4503	0	5713	5069	795	481	0	4898	1694	5793	0	4753	0	0	5862	802	Peptide	0.3181818	1.3636364	0.18181819
8	C22 H30 O7 N4	463.21872	463.2194	0.012283706	463.21872	11066	10156	8509	10102	1035	4276	4775	7769	934	3102	5894	3365	1306	0	4855	5673	2742	2502	1059	2663	1957	6224	4187	7168	6095	0	2160	37506	4063	3365	4778	7042	8095	4628	4913	5576	4150	3596	3798	4183	1715	2837	0	0	0	2901	2290	0	4394	3646	9207	6088	1609	0	1378	579	1637	4425	2311	1037	0	2664	0	1112	0	1380	1725	5393	0	0	0	5729	4440	4736	3500	5451	0	2860	4672	166394	2524	2045	2609	1946	0	0	3328	2331	2544	9700	374649	111580	11864	23042	10236	0	9643	8833	0	665	0	6189	2184	5823	0	6631	0	0	3869	932	Peptide	0.3181818	1.3636364	0.18181819
12	C22 H30 O7 N4	463.21872	463.2193	0.1556892	463.2188	0	0	0	0	0	2071	0	3412	0	0	0	0	0	0	2324	3215	0	0	1761	0	0	0	3241	0	2159	0	0	0	4184	1681	4231	2519	3399	0	0	2136	5200	3235	2908	3686	0	1365	0	0	0	0	0	0	5770	3588	3846	0	1489	0	0	0	1629	3346	0	0	0	0	0	0	0	0	1085	0	0	0	0	0	4681	2389	1449	3930	0	1365	2682	16621	1813	1228	2742	0	0	0	3233	0	1326	6623	76401	24562	5208	0	1520	0	2915	0	0	0	949	0	1401	0	0	3722	1197	0	3265	1529	Peptide	0.3181818	1.3636364	0.18181819
16	C20 H34 O10 N2	463.2286	463.22952	0.3384843	463.2288	0	5943	0	6603	0	0	2858	0	0	0	0	0	0	0	4950	0	3773	0	0	0	0	4989	3597	9168	9177	0	0	0	0	8826	0	0	5289	4983	0	6648	0	0	6510	5535	0	4602	0	0	0	0	0	0	0	4278	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4608	14115	0	5643	0	0	1682	0	1782	0	0	3159	8541	0	5100	0	6477	0	0	0	0	0	0	0	22167	9255	0	0	0	0	0	0	0	0	0	4938	0	8433	0	0	0	0	0	0	Lipid	0.5	1.7	0.1
14	C20 H34 O10 N2	463.2286	463.22925	0.20113428	463.22873	0	0	5085	6138	0	0	0	5427	0	0	0	0	0	0	3744	0	9672	0	0	7737	4980	0	3204	0	3942	0	5637	0	7694	20424	4119	0	6759	14175	0	14979	7221	0	4826	5565	0	0	0	0	0	0	0	0	4140	0	0	7695	3054	0	0	0	0	8301	0	0	0	0	0	0	0	0	0	10323	0	0	0	7626	26886	64368	3142	6189	0	0	0	0	0	0	6150	2592	0	0	8763	0	1258	0	0	9120	5847	0	0	0	0	0	0	3825	0	0	3252	0	0	17145	3318	0	4440	0	Lipid	0.5	1.7	0.1
18	C25 H34 O8	463.23264	463.23322	-0.02982103	463.23264	382405	372167	358088	342922	274886	182445	285604	385014	288067	402583	301524	247194	304014	167370	329163	429372	417706	308295	395532	509709	460432	298446	319811	415186	289119	481110	302773	289640	394496	355917	338158	419181	418775	304571	389961	382255	372481	306769	464763	312462	302176	237066	6600	1101	506	269793	237487	717	407335	344789	366052	364153	259378	1750	391930	284452	204919	425391	269019	263321	369090	196157	353460	289441	176259	301344	245077	476656	401475	537269	604180	265775	275211	371596	430478	381719	300	248129	476805	213374	343754	207708	297903	245293	358896	246870	440391	212068	258612	447666	347499	358783	473872	197813	274079	2605	394619	334939	234613	328878	335939	415683	249335	380305	167127	314270	249057	831	321910	309368	Lipid	0.32	1.36	0.0
16	C25 H34 O8	463.23264	463.23325	-0.045042038	463.23264	143990	159807	167626	160936	108220	82613	138854	171688	118424	132168	113614	118748	99103	61080	143249	194938	214963	104147	143698	185434	152497	138492	139808	176903	128202	153397	141673	92223	143124	154458	144673	177143	175966	97968	143270	171466	144272	131063	223601	102247	129029	87265	2880	0	425	109867	129855	408	166863	164982	151050	160161	85773	843	129257	113890	76821	163555	105977	124087	179375	69674	122116	112874	71777	107188	97693	211726	139122	181291	206384	111052	122430	173079	205231	151563	318	109524	191871	100925	153436	98054	137834	90403	142360	86943	209749	73031	100317	263306	122042	135577	216958	88421	111699	773	165498	152956	91227	126716	145914	180803	100882	150294	70943	153860	114119	791	148722	121912	Lipid	0.32	1.36	0.0
12	C25 H34 O8	463.23264	463.23334	-0.005694089	463.23264	13428	17381	14109	16822	4573	4609	21609	15744	9659	8145	5467	13345	3807	4212	12499	28988	34241	4383	9089	15247	8307	10233	13267	26017	12037	7750	21359	0	11455	20087	12908	18733	12965	8620	6044	16448	12995	10212	28271	9535	9870	7734	488	0	0	14314	18799	0	21098	24634	15026	17563	7300	0	9907	6829	7496	13081	10864	15780	24979	7307	8758	7673	7245	3811	7216	30277	0	7264	15142	8998	9966	18937	25426	18379	0	10080	15942	0	13288	9917	13695	5963	12764	6544	21846	3109	5892	24363	10308	11229	16631	7623	8775	0	11005	16996	8580	9387	10562	23565	8595	24434	0	9786	8334	0	12690	5370	Lipid	0.32	1.36	0.0
14	C25 H34 O8	463.23264	463.23328	-0.070925266	463.2326	66216	56271	64047	53805	25982	23212	74459	64617	36223	40499	33823	51366	28615	19898	52138	83237	97579	22761	38218	56208	52697	48349	52575	69847	45925	46780	62450	33459	57208	61690	51667	71494	64710	38227	44913	62059	59481	54013	89668	30583	52426	36864	0	0	0	41615	43930	0	57812	60050	64352	57172	27398	264	46020	37196	31781	81336	54285	66016	48377	18388	37642	34328	25860	28166	32680	105629	34962	45006	62897	32396	40223	71675	88758	57240	0	42499	75046	29913	61600	31855	50793	29618	45678	31929	78915	24617	34772	116910	37188	49517	68228	36980	37478	594	62667	54571	28170	51528	55530	63592	45855	73705	19370	59004	34218	0	61346	26859	Lipid	0.32	1.36	0.0
20	C25 H34 O8	463.23264	463.23322	0.014832592	463.23267	666952	742722	698803	635901	579684	403051	464569	706812	629461	988853	610549	429065	673739	379063	601779	749068	605068	622618	844665	1171048	1122164	614740	571480	733309	538877	1045176	431517	637088	668424	618725	572401	671610	809078	537309	1137225	630734	811134	522522	623962	648874	571768	430771	13053	2941	739	514436	446982	2177	698174	584264	717953	717571	507130	2802	782848	567834	391561	712394	549976	396048	668668	452905	732397	644232	323189	588767	462877	644315	819204	1394354	1249035	568356	598187	660982	606575	609743	871	487911	753332	359728	568744	328243	550193	556687	641954	424715	720989	415621	466924	645565	729591	750304	869588	374414	521540	3345	707165	709073	476018	594014	598777	775206	451023	734593	344259	628949	534617	2434	519079	735894	Lipid	0.32	1.36	0.0
26	C25 H34 O8	463.23264	463.23328	0.04762366	463.23267	147551	123852	134570	133722	104737	81430	74473	197872	112648	163658	94445	286864	161424	69404	99366	180135	91639	144224	196909	244653	234489	121264	84229	113385	87838	158258	81295	91584	394330	672790	261457	240668	246915	230338	211038	408031	258155	72146	95244	125765	85182	87964	0	0	0	104688	74843	0	462102	245401	141137	144371	84508	0	152904	113702	65134	181462	88990	54267	177904	66966	132413	119257	59908	107652	91710	85134	153803	278781	208373	194457	229066	175595	514320	297673	0	159343	102795	54350	81965	58822	76989	84978	107580	64381	91144	67615	144689	81346	114208	129643	157324	59050	99466	0	144572	158321	66682	95723	100100	272960	143639	469811	62473	89908	84300	0	69425	130681	Lipid	0.32	1.36	0.0
28	C25 H34 O8	463.23264	463.23322	-0.03225756	463.23264	26599	20736	25343	23409	23018	13583	14852	24284	21379	40646	19384	9698	35381	19418	15762	26860	18299	21595	34211	38759	42438	23187	21227	28411	17344	46254	15682	23146	26577	25052	21992	23534	34133	27694	47175	24183	33425	13628	22113	22012	19790	15946	0	0	0	16391	13532	0	28548	23128	26572	23007	20102	0	29025	21941	9211	31617	11903	8291	28623	12294	29081	20248	10753	28660	19480	23036	37038	64957	66927	17986	24248	20938	21452	20409	0	13381	21084	10636	18173	10232	14595	16320	23462	12457	29406	14808	16489	26267	26031	26483	36932	11071	16535	0	23279	19127	13436	26190	28168	31943	11181	33359	9941	23217	16453	0	15332	28425	Lipid	0.32	1.36	0.0
4	C19 H34 O9 N4	463.23987	463.24036	0.07450588	463.2399	6623	6682	3492	6753	0	11121	2416	4156	672	5466	26139	1728	3434	0	3608	5044	2488	1633	0	1560	1886	2882	1802	5168	2448	738	1734	21531	2238	2306	1776	3760	4976	2120	0	2418	4503	1770	4932	6376	4667	1138	0	0	0	3861	5228	0	2494	3806	5829	3215	612	0	1556	0	0	5601	234411	1470	3162	58200	1528	552	0	3234	0	5140	0	0	0	3070	2120	3222	4476	1602	0	1930	1868	139152	2960	760	1056	1364	0	488	1616	0	0	7947	287196	105937	7205	28229	3124	0	5974	7527	1779	0	0	2993	1652	7427	2435733	3150	0	0	2914	0	Peptide	0.47368422	1.7894737	0.21052632
6	C19 H34 O9 N4	463.23987	463.2405	0.097112425	463.2399	826	645	841	867	0	1723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	851	1153	0	0	0	0	0	0	0	0	0	0	0	0	698	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23461	0	0	0	0	0	0	0	0	0	0	109679	41219	0	6439	0	0	1492	787	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47368422	1.7894737	0.21052632
20	C24 H34 O7 N2	463.24387	463.24448	-0.025602212	463.24387	10483	10297	9583	5049	5282	4280	7488	11177	2413	5662	2955	6370	3554	3465	8733	17541	10480	4657	5169	10015	13302	9881	6742	17459	9031	2604	4318	4293	15352	7907	9031	13007	16462	13265	8019	10016	18044	7047	12088	6424	4173	6170	0	0	0	4411	6676	0	16817	11380	10251	7515	6020	0	3460	3403	6234	19985	8122	8497	13748	3511	3884	3231	4063	7568	5129	18608	1403	4790	3521	12189	10372	11469	10073	10291	0	8191	5458	3563	6262	4434	10215	0	3115	2385	11200	7760	5437	21421	28631	26678	27370	3559	6505	0	8586	11182	1968	1636	2271	16260	7293	15498	3076	18152	3171	0	11365	6031	Lipid	0.29166666	1.4166666	0.083333336
18	C24 H34 O7 N2	463.24387	463.24448	-0.008489382	463.24387	12636	6750	8359	14250	3602	5512	11514	13687	1890	13490	2349	5358	1782	5689	9119	20385	13028	5385	6375	8849	5575	17077	10034	20492	11712	3178	8870	6216	11152	14450	14139	13900	18459	13146	10403	21602	12480	11020	14272	8230	11282	9392	0	0	0	5546	3857	0	24089	10139	6361	10234	8118	0	4267	2747	4573	20984	9041	7943	14115	8818	2642	4898	2544	3478	5133	13189	1171	5323	6819	7588	10305	11278	9387	19176	0	11541	6465	7286	6657	5501	8998	6291	2363	2604	10952	7272	8289	21766	30068	18436	30053	3979	13200	0	9808	11023	0	2299	1569	16917	6756	9970	4489	17699	2550	0	12418	4024	Lipid	0.29166666	1.4166666	0.083333336
14	C24 H34 O7 N2	463.24387	463.2445	0.06724706	463.2439	9332	5943	9133	7317	1452	3521	5987	12850	2312	7689	5590	5451	0	1412	8380	11757	7717	1732	3283	9990	7857	8627	5253	15676	12105	5807	5374	7972	12298	8685	9865	8643	11407	8676	10511	7796	12213	6172	14082	9668	6292	2088	0	0	0	5808	0	0	10953	5449	6594	5855	2528	0	1498	1241	1619	13713	0	0	0	3475	0	0	1633	0	3485	11782	0	4103	4116	9902	11083	8427	7656	10273	0	3444	9461	0	4530	2194	3997	4034	0	0	7646	2926	4738	17905	17204	15547	20172	5852	9596	0	4375	11791	963	1680	1521	11618	5843	10690	0	14739	1108	0	8872	0	Lipid	0.29166666	1.4166666	0.083333336
22	C24 H34 O7 N2	463.24387	463.2444	0.16106775	463.24396	4832	4289	3915	5164	3794	3667	4726	6428	1115	0	0	3333	0	0	3916	5952	3711	3496	4587	6257	2721	3994	5157	8587	6533	0	3126	2491	5917	6696	4969	8809	9914	7463	1631	5838	6757	4489	5603	3200	4365	4873	0	0	0	4144	1826	0	9249	5981	4587	1959	3414	0	4445	1181	3805	9644	6785	3215	6955	2706	3221	4536	4684	2838	2332	8037	0	1832	2848	4031	6564	7106	3870	5967	0	3831	7439	2015	2423	1967	5201	2558	1518	4881	9694	3561	4538	10815	21235	12334	13424	1753	0	0	3006	4194	1707	1817	2172	7989	4991	5024	2402	9088	2970	0	5721	2903	Lipid	0.29166666	1.4166666	0.083333336
10	C24 H34 O7 N2	463.24387	463.2446	0.03641146	463.2439	9351	6777	9336	8301	1176	5423	7223	11073	2566	10764	3661	5917	2748	3068	8730	10988	7290	6489	4610	15205	10901	11383	4552	15045	9569	2625	4074	6105	11110	8909	9508	13717	10454	8521	11741	12200	15575	6975	8278	8959	3876	3281	0	0	0	8150	3196	0	15594	5457	8650	8036	3115	0	4072	982	1330	14259	0	2247	11672	4263	3610	3087	1504	2934	4658	11556	0	10350	3838	12328	11088	13477	7820	10286	0	8280	8139	5999	4400	1390	1471	4328	1490	1844	10234	5643	5274	19179	17201	13694	22600	6643	9441	0	5711	6987	0	1643	2047	12737	4015	10631	0	13611	1957	0	10761	3225	Lipid	0.29166666	1.4166666	0.083333336
22	C29 H34 O5	463.2479	463.2484	-0.11359707	463.24783	36651	36923	35944	31959	25312	14909	29664	39642	28212	15806	27551	30239	19027	25130	36391	56693	64382	17565	29815	31016	20458	23961	32515	34167	29752	56834	35297	27831	31298	36391	26726	27949	36020	20547	20616	36198	32392	37657	67497	27548	42217	29448	0	0	0	19228	32453	0	33304	37172	32264	31187	28452	0	23585	31333	24566	41310	22103	36077	39759	18527	23164	19791	20508	21904	22691	80298	57953	63088	76424	18486	19668	27115	40197	39640	0	23454	53260	26461	41996	18014	29787	26458	41501	32070	57945	28404	28781	68280	29016	27568	35730	22593	22927	0	26439	39020	29253	49480	39509	47315	30594	33888	19691	38590	29924	0	55680	22029	Phytochemical	0.1724138	1.1724138	0.0
24	C29 H34 O5	463.2479	463.2484	-0.085947685	463.24786	56413	60464	56367	51190	58629	29377	44677	49097	46246	32364	65961	41272	44283	35029	53675	69314	74242	34134	57463	54330	51294	37710	48768	70619	52388	164908	48532	60968	51654	55736	44899	57124	56789	41404	50074	55699	58153	42014	77155	61420	69539	38781	0	0	0	41710	38586	0	54981	52223	53254	52873	50051	0	45400	50212	39088	58414	40913	39915	52266	34612	44359	32119	27708	46375	48333	84316	120318	101262	135575	32383	36468	44607	49374	53644	0	38918	72708	49943	52836	29800	38080	50074	62618	44178	78477	37134	46443	84375	47401	43673	71235	54584	40139	0	50998	51126	41652	61176	78687	71328	39137	62400	32299	58406	56159	0	51827	38564	Phytochemical	0.1724138	1.1724138	0.0
26	C29 H34 O5	463.2479	463.24847	-0.04391394	463.2479	40074	42057	40427	35092	46972	18989	22405	52773	32680	24705	58374	25977	39402	24186	39303	44808	47582	28331	46941	52675	47596	28984	34775	55302	39666	152893	37769	62486	43946	48837	38071	36349	46219	28999	39027	40832	44139	31469	44950	45237	50644	30978	0	0	0	28632	30576	0	42477	42312	34376	38997	35559	0	36375	39928	26576	48972	26746	25120	54730	29439	32339	31695	16406	38183	43327	51917	134380	79817	115423	33647	30956	40472	25490	41170	0	30070	53750	34509	37583	29284	34671	50068	55887	28668	59539	31757	36553	49882	25078	28929	57089	31756	30119	0	39022	48691	32264	58922	64462	67855	28938	45251	25544	41907	44714	0	42442	28558	Phytochemical	0.1724138	1.1724138	0.0
20	C29 H34 O5	463.2479	463.24847	-0.07620851	463.24786	11522	16277	12266	13292	11819	4086	16334	10740	12344	2868	9724	13531	4374	7319	12234	18931	32951	1703	7715	4811	5064	8725	9292	18023	11844	16939	20115	8157	9108	11981	7540	11585	17716	5162	4686	11776	13879	11981	30610	5547	15728	8881	0	0	0	6344	9919	0	10637	10973	13170	9514	7160	0	11876	11275	9728	17663	8430	20820	12501	7114	7081	7327	6329	9534	10367	35006	12680	12962	19803	4301	4927	8751	19631	11711	0	6983	27301	8500	18993	4139	13322	0	21198	5771	24082	6576	7008	33901	14330	14183	18305	6709	6914	0	14458	10826	10578	20232	21729	18114	10794	14610	2881	9181	14341	0	22083	5082	Phytochemical	0.1724138	1.1724138	0.0
28	C29 H34 O5	463.2479	463.24844	-0.055584174	463.24786	9202	9983	8260	7702	11615	4692	8134	11885	8073	4443	13803	7329	11280	5904	6284	9809	6152	6994	11320	7569	7249	4919	9626	10592	9518	33027	8672	13401	8604	10197	8906	7451	12774	8744	8743	12175	9194	7613	10554	10200	10610	5852	0	1890	0	7242	5268	0	10847	9282	9994	8579	9260	0	8411	10845	5735	11159	7293	5054	12358	5649	9023	9767	4751	14646	10063	9733	29180	13289	21860	6402	6769	8527	4059	8106	0	8089	14363	13269	8891	5200	9403	12316	15499	6406	19142	7385	6853	9694	9383	7150	12404	8768	3345	2046	8391	9562	6898	22503	21277	14919	6326	10701	5413	9734	12122	0	9664	7014	Phytochemical	0.1724138	1.1724138	0.0
10	C23 H34 O6 N4	463.2551	463.25546	0.013719477	463.25513	3805	2277	2267	1749	0	2710	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23200	0	0	0	0	1290	1070	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1067	1361	2846	0	0	0	0	0	1140	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	134419	0	0	0	0	0	0	0	0	0	0	184167	36709	0	10827	2499	0	2704	0	0	0	0	0	1136	0	0	0	0	0	0	0	Peptide	0.26086956	1.4782609	0.17391305
12	C23 H34 O6 N4	463.2551	463.25513	-0.17484532	463.25504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12010	0	0	0	0	1762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1413	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	215340	0	0	0	0	0	0	0	0	0	0	110292	13692	0	10909	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.4782609	0.17391305
6	C23 H34 O6 N4	463.2551	463.25577	-0.023352697	463.2551	1885	1410	2480	1549	0	1161	0	0	0	0	0	0	0	0	0	0	1834	0	0	0	0	679	538	0	532	0	0	28845	0	0	0	0	903	0	0	0	1108	0	1703	0	0	588	0	0	0	0	0	0	0	609	2387	2244	0	0	0	0	0	0	0	0	1471	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	632	0	143362	0	0	0	0	0	0	0	0	0	0	253244	60263	1495	11125	2192	0	3237	790	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.4782609	0.17391305
18	C26 H38 O7	463.26904	463.26956	-0.1270528	463.26898	36436	40153	46845	36876	27102	16732	47543	40176	26838	11358	23890	32853	27754	23315	40063	53255	67029	24457	43479	24572	17235	29612	29001	35336	28154	29530	61544	21610	53538	43167	40641	49886	44603	23201	12489	59002	36224	34050	75937	12464	21458	19617	674	0	0	17755	22053	0	42976	34157	37204	34781	25477	0	44463	35848	30527	51171	22276	31031	41778	8382	36660	31394	22545	37395	26956	84858	24387	24090	26868	22324	26994	48263	72784	51970	0	28140	51729	20029	37081	18391	37347	14848	51940	35383	63711	17424	28516	73931	32521	31583	45996	14693	21056	0	33593	37672	26637	58882	55396	47643	26065	34661	12375	39065	34893	0	43082	23674	Lipid	0.26923078	1.4615384	0.0
26	C26 H38 O7	463.26904	463.26962	-0.007549394	463.269	184052	177320	181458	173245	187675	117591	155202	197531	203629	224724	155202	75950	223059	130501	160871	161484	134252	221963	329632	348195	273546	179394	141669	176002	211637	259436	126694	200879	215244	168579	159661	195086	242948	150165	335172	225834	271416	138762	134803	207983	129964	133767	0	0	0	168935	97598	0	181863	144239	190556	170198	160441	0	298078	229289	110594	205221	185989	82924	182793	134091	210131	184213	92173	197169	171776	148686	225043	383678	255829	138015	154274	195604	100365	167728	0	128644	178232	123969	120591	107670	162844	158310	212452	155836	183830	100660	143968	126863	235652	283676	257122	122219	172739	0	173464	206213	118906	211164	221259	278881	93117	223448	136631	147283	172979	0	143488	184478	Lipid	0.26923078	1.4615384	0.0
22	C26 H38 O7	463.26904	463.26956	-0.06694236	463.269	264873	258188	241340	244182	247197	159401	268311	262318	253935	245308	213819	160571	199813	185655	222103	278029	280583	259146	347302	301335	301309	195851	201653	218819	221526	317083	258909	205371	280011	231956	219062	278807	312818	212142	287275	285968	303702	216853	292021	179319	194829	171724	7329	0	0	160271	149036	0	262564	214626	254819	239727	218201	791	331686	262739	166602	298524	178035	146577	261594	130350	281762	245386	166290	256402	204932	299465	234148	340079	358995	176158	196610	243055	262186	233439	0	170493	262356	137111	201097	135694	249482	182101	318138	228696	287880	171986	198901	274607	253107	294945	278698	158178	197450	0	231492	250243	196914	299492	304504	343720	158021	264518	137890	228278	239808	0	220253	267818	Lipid	0.26923078	1.4615384	0.0
20	C26 H38 O7	463.26904	463.26956	-0.09045269	463.26898	122347	113780	109763	104410	101514	62182	138531	111038	100953	88748	85339	82987	106251	80406	108493	141379	168636	102693	148855	102392	110253	76930	78958	115619	87306	118729	126909	66577	124129	112241	98626	118541	140711	85096	94371	134816	130624	95987	176377	56631	86778	80771	2500	0	0	57767	73385	0	118712	89677	111332	122236	96070	463	132071	111896	71451	140405	80582	78608	112090	41475	107689	106576	73069	95536	88686	176502	80266	105118	134826	67566	93050	114297	175688	108071	312	81288	149018	63070	94114	44463	120714	90427	159948	95146	150396	67316	87353	163653	122791	113825	121626	57801	74826	989	115576	117500	82131	156833	143997	154866	83756	123752	50960	106992	114714	0	106474	103174	Lipid	0.26923078	1.4615384	0.0
24	C26 H38 O7	463.26904	463.26956	-0.03231327	463.269	335216	361259	342350	341400	362188	231001	324480	316983	354829	413396	317322	179241	381120	226366	277900	339890	283857	399465	587524	520218	486480	275750	250575	298884	287249	455470	323374	334812	355202	310178	289615	347926	454572	281042	553667	358418	472035	242878	298512	342028	247033	196237	7526	0	0	253219	189102	0	348589	256532	355513	326273	310067	0	504309	353611	202849	383368	285579	166002	342450	219288	398324	349976	181358	357012	306108	296142	359822	599126	496373	247393	269460	316334	237802	297155	0	220081	316562	184367	224519	179945	317103	267297	402999	265441	343385	210888	307690	283138	400602	421552	385895	217297	301764	0	322593	353190	229025	358749	363954	451453	187939	386224	197807	296268	311432	0	269949	370080	Lipid	0.26923078	1.4615384	0.0
16	C26 H38 O7	463.26904	463.26962	-0.074727364	463.26898	6268	7266	7306	10113	5082	0	14998	7140	6757	2303	2415	10617	3441	3908	10490	12550	26445	2564	7927	3583	2321	3344	4048	7953	6654	4079	17218	0	10112	14526	7228	10661	8595	4327	3350	9066	7589	8209	31476	1542	4887	4737	300	0	0	1581	4210	0	10826	7163	9358	8854	4026	0	7056	5956	5865	13855	4922	7989	8768	0	4369	3684	4514	3963	4329	22890	2592	2680	5653	3323	6949	12357	17293	14909	0	7871	13050	4606	10188	1776	8140	2071	15092	6339	19960	1171	4284	0	7549	6043	0	1614	2201	0	10074	6268	3923	15703	14224	8003	6466	6357	0	11809	9511	0	8091	4049	Lipid	0.26923078	1.4615384	0.0
28	C30 H38 O4	463.28427	463.28482	-0.076175585	463.28424	8443	9728	10173	7875	15440	4407	8424	12594	11375	1320	7259	7403	8854	5583	7075	12433	16414	5712	14902	4990	4127	5951	9067	11139	18458	16788	11272	10629	12039	17060	11053	11869	17507	7235	3392	16927	11944	10708	13670	5674	5478	8776	0	0	0	4528	3280	0	9957	15252	12356	10426	12220	0	8485	16599	8469	13147	7722	6210	8613	1996	6908	7812	4572	10263	11947	19139	11994	5240	9081	5974	5872	15228	6067	12695	0	9453	18412	12993	9067	4794	9971	10110	25057	12144	31305	5873	5615	22818	5634	8292	11217	10910	3887	0	11132	9932	6389	38346	37801	22539	7061	12127	4529	13894	21260	0	14846	4798	Phytochemical	0.13333334	1.2666667	0.0
22	C30 H38 O4	463.28427	463.28482	-0.10652545	463.28424	5997	5792	6092	9682	9783	3229	11418	4529	10133	0	2959	8069	3436	5386	9247	11981	26448	0	3701	2556	2027	2531	5732	4074	6828	3125	12182	2765	4194	6943	3017	9523	6133	3438	2581	7011	5673	13457	26918	1822	4574	4037	0	0	0	1652	4850	0	4528	6909	9273	5969	9492	0	6406	23000	9934	9274	3451	10052	5438	0	3215	2581	6239	4143	6795	33904	2037	0	5976	2423	1721	4728	14702	6678	0	3343	15139	5504	8633	3641	3624	0	16388	9009	21998	4913	3235	26952	5145	5624	9105	3908	5588	0	6970	8125	8754	32110	31438	9718	6808	6037	1875	4340	18748	0	15108	0	Phytochemical	0.13333334	1.2666667	0.0
24	C30 H38 O4	463.28427	463.2848	-0.10125406	463.28424	18023	26543	17051	24334	28095	9962	23849	19343	24204	3005	12291	20087	15121	17189	18066	37187	52686	10822	30829	13211	10298	13508	17542	21874	28091	22973	24441	14589	18300	26370	19335	22751	21921	9682	5247	21738	23033	21008	53166	10554	19957	13687	0	0	0	7300	15276	0	22786	26388	24008	22621	22468	0	25682	38293	23453	26641	14656	23927	25356	8146	15235	17453	14974	17835	18652	63698	21712	9056	23589	9408	10538	20011	23097	24926	0	15546	35123	16355	29662	12131	20738	11734	47834	25717	45102	13139	16498	59039	15334	13949	28695	14447	12179	0	22141	25710	26414	54184	56543	33626	14776	24131	10027	19104	45638	0	34245	10241	Phytochemical	0.13333334	1.2666667	0.0
26	C30 H38 O4	463.28427	463.28482	-0.11424406	463.28424	27786	26866	26495	27893	48806	14341	25549	34737	34569	4265	22714	20835	24521	25369	30051	38175	47934	19032	38110	21368	13934	22996	30088	34518	32650	45959	31393	26085	29879	43298	31341	30591	37139	15917	13750	40029	36394	31680	49555	15225	25389	30576	0	0	0	14074	14351	0	28585	43287	35046	28327	33975	0	32549	49450	25619	34485	23367	24028	35331	10885	21860	25363	13989	23428	49213	62629	37476	19418	31450	14990	18374	40253	30482	33730	0	24277	44320	30062	31827	16339	27675	24996	59366	35987	54485	21696	21095	61033	22647	25830	41232	28720	14712	0	32135	31130	33675	74887	86739	62075	21692	32081	12114	28001	46479	0	46455	15149	Phytochemical	0.13333334	1.2666667	0.0
16	C24 H38 O5 N4	463.2915	463.2916	-0.30913562	463.29135	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6185	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1614	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28180	0	0	0	0	0	0	0	0	0	0	354990	48088	0	2326	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.20833333	1.5833334	0.16666667
14	C24 H38 O5 N4	463.2915	463.2924	-0.10638539	463.29144	0	0	0	0	0	4236	0	0	0	0	2283	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	58125	0	0	0	0	0	0	0	0	0	0	0	0	0	1452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	184953	0	0	0	0	0	0	0	0	0	0	305711	67781	0	8678	0	0	0	2102	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.20833333	1.5833334	0.16666667
22	C27 H42 O6	463.30542	463.3059	-0.122655846	463.30536	24678	23283	23549	27772	25781	15239	69313	25312	13833	0	9504	19786	11969	21959	19541	45067	84463	15117	26300	4087	4422	7435	16056	14660	25366	10492	66531	9710	30441	36350	25517	34448	25667	18494	6185	41881	25266	28529	77637	3467	6923	15407	0	0	0	4954	9052	0	33964	30116	24198	18816	18635	0	18515	22338	17997	39026	8114	17835	32458	1698	16654	13682	29731	16867	27668	84454	4751	8636	8336	12488	24581	61443	58653	35899	0	25307	39379	16325	18847	10710	39144	17520	36262	31215	48834	20983	20627	94076	19418	20481	22425	6323	2631	0	24211	24815	15155	35095	39024	43333	23792	15546	7160	19702	28332	0	30105	4643	Lipid	0.22222222	1.5555556	0.0
20	C27 H42 O6	463.30542	463.30588	-0.0664047	463.3054	5410	4611	5355	5210	4463	1796	12626	5091	1585	0	0	7458	2438	3141	3803	13392	25989	1956	2781	0	0	3484	4541	2097	5244	0	12671	2099	7506	8872	5474	9502	4035	2216	0	9171	4117	6345	29753	0	0	4922	0	0	0	0	0	0	8030	6652	5956	3213	1938	0	4174	2998	4070	9688	1021	2413	5061	0	1532	0	14014	0	5470	31957	0	0	0	3117	4998	9476	18843	7172	0	3328	9293	1648	3052	0	5958	0	5720	10087	18820	3788	4499	34857	2860	2107	7096	0	0	0	4668	3390	1808	7131	14347	6147	5088	0	0	3176	8605	0	9983	2096	Lipid	0.22222222	1.5555556	0.0
28	C27 H42 O6	463.30542	463.30594	-0.10569809	463.30536	19764	17556	21806	19369	24163	9169	66676	19889	21164	9988	21152	8177	17956	20229	15436	19388	22538	21449	33063	18706	13557	12998	14123	12414	34472	21847	50575	28975	36503	27899	20572	31825	39928	19881	18128	37399	31088	17695	24311	13923	10896	17098	0	0	0	12949	6635	0	24745	20885	19819	19376	19875	0	36571	23875	12093	30025	35649	8988	23619	22710	16042	23184	18137	25660	32971	25830	13768	17083	11931	11758	17568	31947	11805	23471	0	13880	25854	23640	12161	17684	25999	17667	35171	20789	46550	11791	17154	26465	33536	35104	21974	18357	8484	0	19552	20336	16453	40142	54640	42655	10637	30739	37290	20453	28426	0	20919	11547	Lipid	0.22222222	1.5555556	0.0
26	C28 H46 O5	463.3418	463.3423	-0.04003261	463.3418	24133	23962	24978	24125	4952	3018	123378	9942	2788	1729	12326	7832	0	18919	7151	16387	270865	0	0	0	0	2812	0	0	21663	11358	116316	11959	12112	21619	7691	16252	33560	8046	3344	19423	13046	8575	363008	0	6007	0	0	0	0	0	0	0	11193	14939	23874	26303	2495	0	5207	6049	11535	18797	6792	10037	16555	3116	8364	0	21214	4055	13180	520063	0	6242	18992	4238	13649	28488	23367	13320	0	7385	7848	13736	4016	10235	15609	17801	6674	7949	23670	3805	5071	35806	6277	9841	4120	4622	0	0	20316	23512	6249	3606	8000	44033	5751	11433	16339	8860	5644	0	22787	0	Lipid	0.17857143	1.6428572	0.0
24	C28 H46 O5	463.3418	463.34213	-0.0896589	463.34177	2209	5080	5512	3827	1175	1024	25500	5039	0	0	0	3416	0	6998	2389	7530	57073	0	0	0	0	0	0	0	3251	0	22666	1267	6349	9932	2101	5647	5714	2938	0	10692	3112	2138	60089	0	1126	1869	0	0	0	0	0	0	8025	4631	3279	3213	960	0	0	0	1126	5555	0	0	4442	0	0	0	6046	0	5389	78017	0	0	1647	1090	3674	9218	14181	9116	0	1598	3461	1359	1397	0	2889	4361	0	0	9182	1860	2117	16411	0	1471	1806	0	0	0	3894	1961	1235	0	0	7036	2838	0	0	2879	1685	0	7649	0	Lipid	0.17857143	1.6428572	0.0
16	C27 H46 O4 N2	463.35303	463.35333	-0.3370435	463.35287	0	0	0	0	0	0	0	0	0	0	0	1131	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1780	0	0	1277	22087	3942	0	2492	0	5113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.14814815	1.7037038	0.074074075
28	C20 H17 O10 N1 S1	464.0646	464.06528	-0.06237874	464.06458	3550	2662	0	1920	4962	2106	0	0	0	9084	0	0	5246	2132	0	0	0	4918	4614	0	0	12506	0	0	0	0	0	0	0	0	0	0	0	0	8356	0	1710	0	0	4522	5840	0	0	0	0	4114	5660	0	0	0	2010	0	2194	0	6006	0	0	0	1900	0	0	6176	0	3568	0	2758	2562	0	0	0	2774	0	0	0	0	0	0	0	0	7058	0	0	0	2288	0	0	0	0	0	0	0	1922	3898	14012	20430	0	2118	0	0	0	0	0	0	0	5204	0	0	0	0	7179	Organosulfur	0.5	0.85	0.05
12	C20 H17 O12 N1	464.08234	464.0831	0.09195404	464.0824	3762	5064	6674	7447	15481	3396	0	0	18379	10653	10643	1065	29786	3513	2336	0	1983	10409	18493	6458	19875	38528	4047	0	0	0	0	0	0	0	1022	0	3071	0	31059	0	0	2204	1510	9534	32120	5358	0	0	0	10240	32526	0	0	0	7936	7013	6929	0	19092	22935	5528	1853	0	0	0	13854	48243	22223	5219	20103	5958	0	0	1126	2501	0	0	0	2229	0	0	1113	3441	0	2769	11311	0	1723	21211	5070	2829	4655	4752	6331	0	0	2574	37740	15139	0	7484	3894	19161	21442	18788	0	1580	0	19294	3175	14675	0	2347	39458	Phytochemical	0.6	0.85	0.05
16	C20 H17 O12 N1	464.08234	464.083	0.0202252	464.08237	29034	26726	32682	28006	61248	23052	3370	0	57806	55158	25326	4310	104707	14190	10812	4550	6394	63320	63532	27474	84006	127450	22407	7688	0	0	0	9866	5008	2960	2850	0	14898	6236	79398	0	7532	7216	5392	38966	75358	22388	1038	0	0	47908	128172	0	3736	0	33406	33070	31244	0	72942	68696	22228	7638	5494	13036	0	44478	136892	87605	19584	72076	19926	3366	10482	0	7326	0	4468	0	4496	0	0	4502	16516	83352	13106	69058	0	8874	74752	26742	14322	20324	23312	0	0	11510	0	128694	100218	0	31110	34560	38004	70900	61140	10150	9436	7530	81236	0	53016	0	3736	118664	Phytochemical	0.6	0.85	0.05
26	C20 H17 O12 N1	464.08234	464.0829	-0.061307356	464.08234	3567	3695	4200	2726	7240	4660	0	0	10448	5695	0	0	17030	3003	0	0	0	14506	9190	0	8508	10549	0	0	0	0	0	0	0	0	0	0	0	0	5669	0	1502	0	0	2852	4452	0	0	0	0	5683	18081	0	0	0	6156	4053	3623	0	10966	6532	3076	0	0	0	0	0	16690	8930	0	7461	0	0	0	0	2295	0	0	0	0	0	0	0	3251	5588	2537	6338	0	0	11420	0	1636	0	2891	1426	0	0	0	12737	14703	0	4785	0	4553	7405	5948	0	0	0	8033	0	0	0	0	22299	Phytochemical	0.6	0.85	0.05
24	C20 H17 O12 N1	464.08234	464.08295	-0.07688836	464.0823	2674	4461	5503	4111	6148	3414	0	0	11810	4921	0	0	20934	3289	2513	0	0	12393	11983	3321	6213	10216	2012	0	1529	0	0	0	0	0	0	0	0	0	5204	0	0	1661	1164	1891	3389	1748	0	0	0	6810	16848	0	0	0	4848	3154	3656	0	15719	10373	3917	1569	0	0	0	3360	20871	12693	2459	6866	2142	0	1672	0	0	0	0	0	0	0	0	0	3100	9107	3537	7737	0	0	11072	4279	2363	2344	2433	0	0	0	4121	13208	20810	0	4046	4134	4302	9365	8670	0	0	0	10523	1647	6697	0	0	18242	Phytochemical	0.6	0.85	0.05
10	C20 H17 O12 N1	464.08234	464.0832	0.053559586	464.08237	6460	8841	3981	4779	20585	2528	0	0	28745	9347	14852	1582	33897	0	0	0	0	15048	13373	5664	22554	22968	3982	0	0	0	0	0	0	0	0	0	0	1928	20322	0	1167	2653	0	0	24700	4498	0	0	0	6470	30399	0	0	0	8000	6054	6664	0	13450	23377	4274	0	0	0	0	7033	44186	23654	3246	18750	6403	0	0	0	0	0	0	0	0	0	0	1748	4358	0	3104	7855	1844	0	21458	3940	3901	4696	4017	0	0	0	0	31666	15468	0	5380	5486	16072	25762	22821	3188	0	0	0	0	11646	0	0	35088	Phytochemical	0.6	0.85	0.05
22	C20 H17 O12 N1	464.08234	464.083	-0.004308588	464.08234	3511	6096	5956	4219	10847	4918	1499	0	14719	3102	2235	0	26729	0	2038	0	0	15010	11353	2571	10464	16646	3653	0	1738	0	0	0	0	0	0	0	1246	0	5458	0	1550	2466	0	5761	5517	3900	0	0	0	10300	32809	0	0	0	3457	6520	5038	288	14833	11433	5011	2128	0	1000	1753	5123	19946	15103	4385	11701	2147	0	2545	0	0	0	0	0	0	0	432	1605	5834	14905	3112	13496	0	0	19985	6524	2548	0	4496	0	0	0	5018	24031	17858	0	4850	5530	10319	12737	15823	3498	0	0	16598	1756	12575	0	0	29063	Phytochemical	0.6	0.85	0.05
28	C20 H17 O12 N1	464.08234	464.08286	-0.07869941	464.0823	4489	4994	6747	4126	8985	6147	1179	0	10456	8425	1807	1670	19477	3232	2446	1839	0	12594	10663	4790	10795	11098	0	2261	0	0	0	0	0	0	0	0	1218	0	8701	0	1180	1114	0	2863	5859	0	0	0	0	7923	19916	0	1211	0	4678	6005	6450	0	13740	7657	2699	1184	0	0	0	4742	21105	9035	3172	10823	3337	1413	0	2348	1949	0	0	0	0	0	0	1007	3876	7385	4233	5663	0	0	13795	4520	1992	2667	1907	916	0	1207	2893	10374	16147	0	6258	5633	6445	7039	8686	0	930	2093	10973	0	6478	0	862	18731	Phytochemical	0.6	0.85	0.05
18	C20 H17 O12 N1	464.08234	464.08298	-0.033691503	464.08234	10149	11754	15070	12070	26429	13596	1128	2024	24787	15128	12095	5128	57112	8277	4561	3178	2899	32408	36939	10986	28288	40692	12191	2148	0	0	2607	2286	0	0	0	0	3200	0	22172	0	4111	5423	1868	12140	22152	9516	788	0	352	21984	50862	591	1930	0	7882	11110	13232	0	32885	32208	12362	2348	5823	3496	2968	20909	56581	36841	10230	35672	8108	2212	6441	2713	6437	0	0	0	2677	0	0	2185	10842	40474	5499	26302	0	4473	37434	18043	6784	11389	6860	8740	3879	3676	3413	52463	38638	0	9532	12720	24595	32635	32182	6548	2278	3853	28078	1801	23597	0	0	44502	Phytochemical	0.6	0.85	0.05
14	C20 H17 O12 N1	464.08234	464.08304	0.016357606	464.08237	12546	9912	9975	8960	25001	8303	0	0	28018	17326	22546	3479	45621	4904	4268	4485	3193	27822	26199	11565	35624	65547	9786	2330	0	0	1148	0	1394	0	1556	0	2720	0	39207	0	2970	2850	3126	17197	40977	6084	0	0	0	20230	61568	0	0	1889	10728	9239	16069	0	35278	25943	7641	0	0	5849	0	18167	52363	36457	7223	32947	8307	3059	0	1736	8473	1886	0	0	2091	0	0	1708	8621	27561	5750	24446	1398	3046	33871	7434	6549	9903	6184	9667	0	3640	9626	73227	40533	0	7619	14037	21565	33591	30330	4269	1906	0	28440	5241	22356	0	2184	43296	Phytochemical	0.6	0.85	0.05
20	C20 H17 O12 N1	464.08234	464.08292	-0.045361426	464.08234	9648	6190	7356	6411	16868	11452	1158	0	17216	12719	5108	2038	44345	9414	3636	0	0	25230	19302	2968	17483	36656	5884	4514	0	0	0	1593	0	0	1873	0	2647	0	14662	0	4801	1829	0	7364	14530	4953	750	0	0	16821	42710	968	2165	0	8981	8646	10449	0	26022	21864	6017	0	2470	1728	2147	11648	32937	28708	6503	24888	8169	2211	4136	0	3108	0	0	0	0	0	0	1956	5135	22545	6157	17879	1472	0	31745	10534	4628	4188	8988	2688	2228	0	5334	32221	20056	0	6482	8982	14922	19232	26789	1526	2037	1826	24265	3127	18062	0	2144	34188	Phytochemical	0.6	0.85	0.05
14	C17 H21 O14 N1	464.1035	464.10403	-0.052792493	464.10345	4486	3743	2787	2908	14765	6362	0	1291	19721	0	0	2495	41904	4382	1481	0	0	11640	8971	0	0	0	5190	0	0	0	0	0	0	0	1272	0	2056	0	0	0	1705	0	0	0	0	10406	0	0	0	0	0	0	0	0	2255	0	5411	0	24838	24345	6764	0	0	0	0	0	35533	19253	2517	17608	2919	0	0	0	0	0	0	0	1823	0	0	3342	1718	0	0	0	0	0	21433	3215	2454	3165	4827	0	0	0	0	0	0	0	0	0	14894	19516	16754	0	2570	0	0	0	8803	0	0	25814	Phytochemical	0.8235294	1.2352941	0.05882353
12	C17 H21 O14 N1	464.1035	464.1042	0.01866456	464.1035	0	4942	2783	2320	11823	5488	0	1552	13691	0	0	2036	32498	2742	2854	0	0	14354	18045	0	3075	0	6482	0	0	0	0	0	0	0	0	0	2048	0	1838	0	0	1753	0	0	0	7688	0	0	0	0	0	0	0	0	2969	0	5753	0	16025	28222	4952	0	0	0	0	0	36542	22389	5383	14600	3330	0	0	0	0	0	0	0	1306	0	0	1081	0	0	1515	0	0	0	22758	3061	0	4171	4043	0	0	0	2563	0	0	0	0	4642	14290	17949	26705	1600	1081	0	0	0	12841	0	0	34618	Phytochemical	0.8235294	1.2352941	0.05882353
16	C17 H21 O14 N1	464.1035	464.10416	-0.16699752	464.1034	5072	3073	4756	4158	15559	4034	2024	0	13665	24018	10674	3851	28192	0	2280	1714	0	10523	19078	6750	12859	19956	4129	0	2013	11141	1246	2390	0	0	0	0	0	1208	22474	0	1900	0	0	14107	9734	5420	0	0	0	6880	10864	0	0	0	5053	4250	7693	0	16526	21383	2402	0	0	0	0	8430	18730	11593	3431	5484	3368	1255	8289	12955	14127	0	0	0	0	0	0	3155	1904	11565	2750	8628	1285	7464	12777	4524	1795	2780	7044	0	6251	7921	0	17901	26207	0	3595	6008	11429	9448	8421	4166	2048	0	8469	0	10173	0	1281	28318	Phytochemical	0.8235294	1.2352941	0.05882353
10	C17 H21 O14 N1	464.1035	464.1042	-0.03831857	464.10345	0	2392	1832	2544	9844	2571	0	0	9088	0	0	1591	27092	1704	0	0	1296	7464	13114	0	0	0	2980	0	0	0	0	0	0	0	0	1118	0	0	0	0	0	1060	0	0	0	5604	0	0	0	0	0	0	0	0	2535	2814	3734	0	11279	18859	2928	1296	0	1721	0	0	18730	12256	3602	9522	2074	0	0	0	0	0	0	0	0	0	0	758	1511	0	1019	0	0	0	14402	1704	927	4390	2635	0	0	0	2594	4016	0	0	0	2166	7870	18796	21018	0	0	0	0	0	9045	0	0	17921	Phytochemical	0.8235294	1.2352941	0.05882353
8	C21 H21 O11 N1	464.11874	464.1195	-0.003131764	464.11874	16855	15043	13350	17588	15519	5753	4052	5634	21136	40907	33555	7428	28839	4432	5214	9636	10916	17816	19112	26166	47953	33635	7232	11160	1391	6882	6502	7996	6750	4250	6931	7924	9536	6019	59667	3641	6469	6507	11275	20302	45335	6773	0	0	0	26813	49190	0	7493	7512	15020	15760	10569	0	24983	19152	8820	6937	6516	11121	0	17885	42913	23208	6264	18584	10070	11076	22029	11419	29476	5467	4483	4681	5661	6912	0	4502	11476	15707	7568	17032	3797	9418	19412	9162	10641	9173	10178	15732	0	9262	13620	36207	31358	0	20808	16108	19983	22781	20615	8089	5407	7693	19330	7295	17314	0	4014	34795	Phytochemical	0.52380955	1.0	0.04761905
12	C21 H21 O11 N1	464.11874	464.11942	-0.023551188	464.1187	61034	64657	56339	56981	52960	37197	24839	30078	64276	160807	99773	23918	94831	23235	24351	30386	34457	73286	79716	118637	158603	168562	40806	38914	14820	38595	17089	53644	26830	19661	29877	24035	33268	22499	239891	21539	36764	22947	32301	97090	172084	25522	687	0	0	112236	203816	0	24051	28688	69749	62530	43624	0	78056	49871	30215	30764	27669	32545	22359	96940	116473	67062	20618	76328	34889	32037	83519	62650	111076	32815	23625	16621	17362	19542	0	20941	36385	123327	30892	89253	19412	45695	62398	27711	35335	28331	33496	50074	26083	38323	49822	137535	124798	0	61299	71503	69867	51744	50607	33822	24613	38220	138178	34167	52811	0	19372	99087	Phytochemical	0.52380955	1.0	0.04761905
14	C21 H21 O11 N1	464.11874	464.11942	-0.025010329	464.1187	95172	82815	72317	74831	76992	54629	25265	36289	88751	229749	125286	27615	135669	38904	36585	44843	35094	103964	95453	163641	235349	242202	49414	47577	21736	49402	25886	85012	26360	37040	27281	28247	49238	26530	306731	27240	47105	37261	28901	142179	172560	41511	0	0	0	176330	257137	0	36111	36264	78912	81369	58904	219	135681	73612	37537	45213	51011	46247	69001	131619	147057	92117	34005	95054	53502	32041	118523	84658	106499	32145	28981	21048	25059	33702	0	27982	50590	130254	37502	134920	24356	58923	87384	50819	48681	46737	49558	38896	41465	63653	54042	176969	193210	0	81532	79827	71512	73037	75640	49470	28108	54087	204351	43993	65076	0	24527	128724	Phytochemical	0.52380955	1.0	0.04761905
24	C21 H21 O11 N1	464.11874	464.11923	-0.0274076	464.1187	6435	8457	8864	6393	8314	5503	2419	1389	11180	21783	2726	2587	20207	2811	3484	2650	1614	16846	14633	11695	15898	16223	5476	3467	1345	5478	0	2311	0	0	1393	1944	2453	1459	17865	0	4337	3574	1707	10242	7988	2841	0	0	0	24316	37341	0	0	0	4335	8093	5822	0	13717	12847	2570	2421	2211	1331	2555	10779	18695	10769	2734	14455	4603	0	6886	10582	10223	1370	922	0	1420	1380	0	1104	4971	10566	3744	21124	1994	5196	14141	5078	4660	2562	1604	2848	4764	2680	3840	19034	31074	0	6006	9261	9182	10349	10100	2073	1471	3119	23943	1368	9803	0	902	25016	Phytochemical	0.52380955	1.0	0.04761905
18	C21 H21 O11 N1	464.11874	464.11932	-0.048648924	464.1187	62584	61678	56442	57660	71555	46098	13511	27127	69217	164462	79439	21743	144085	34335	32501	29095	20920	107408	101006	154725	137445	146412	40252	36344	26007	43455	12894	44094	16285	17883	23435	14298	32366	17888	209705	11640	30816	20797	16992	118670	85272	29993	2377	0	343	149633	176088	672	22211	21108	64618	61561	48213	269	105402	69393	39069	28238	27750	18665	25314	94182	118175	74576	31110	79516	46936	13221	68370	67183	70425	23194	10737	12128	14836	18163	379	16161	46942	96973	28604	124261	17958	58074	84138	46620	39083	32468	36261	28107	35061	51546	53041	119063	181051	938	73050	63622	67396	56208	69983	39282	14799	30295	120466	26994	55317	381	19815	123063	Phytochemical	0.52380955	1.0	0.04761905
22	C21 H21 O11 N1	464.11874	464.1193	-0.071768716	464.1187	11498	17584	11156	12381	23041	17832	1812	3854	20452	45351	15592	1583	34071	9899	5677	3231	3194	29726	20767	23538	40039	43415	7298	2850	1944	12524	0	9730	3171	1980	3446	4586	3383	3263	41618	2970	6769	6666	1584	27761	19270	6206	0	0	0	54176	75505	0	2664	3948	15196	10799	14423	0	36133	20097	11857	3713	6932	2827	4990	22529	38606	23819	9079	21144	13000	2985	21980	20566	22809	3440	1707	1893	2427	2181	570	4933	13777	24690	10831	40154	2661	10771	28375	12635	11543	8503	9383	3098	7273	6865	9919	34601	54347	0	10675	20472	17074	20377	11547	4674	2807	7200	47423	7880	21393	0	3872	41428	Phytochemical	0.52380955	1.0	0.04761905
16	C21 H21 O11 N1	464.11874	464.11935	-0.059927937	464.1187	77075	86268	77109	84080	81823	60959	24100	31859	101847	248036	110526	27546	163304	37624	37992	44014	33349	142182	131199	185216	219748	228962	47469	46904	28689	63442	23615	65288	33003	27163	32507	21405	49228	25367	320581	23541	57101	34900	24936	146979	131370	36684	2654	0	0	177322	213959	623	37104	26196	83276	73857	64438	748	130473	79642	40607	36220	43846	24945	46713	122973	162348	105306	34745	112324	53870	23223	98408	81441	92829	30909	24874	20764	20260	26703	553	28024	55132	150659	36465	147207	31285	74767	92188	54673	53152	42453	46654	51614	56273	78010	57005	162727	226587	440	77171	84000	70385	76156	72881	39845	25489	43745	163756	44793	66180	0	27226	143588	Phytochemical	0.52380955	1.0	0.04761905
10	C21 H21 O11 N1	464.11874	464.11942	-0.037144873	464.1187	41346	32076	28867	32938	33240	17426	11397	20892	43337	92079	60774	14987	60869	11202	12449	21905	13936	38787	46452	76472	96819	81546	21102	18581	6168	19764	11548	24060	13423	13322	14721	13024	26233	12150	127036	13568	21356	15388	15905	63712	91420	18786	0	0	0	63785	116394	0	17695	16063	34355	39457	21503	0	52311	38517	16949	17880	13422	27138	21611	58199	63046	47795	16415	46075	21974	22110	44578	40883	62951	16803	11714	10389	14667	14218	0	9148	19659	45169	19193	44585	11508	22408	41351	19351	24839	15702	17978	26676	10877	22322	27297	74890	77878	0	34500	39185	29757	43911	35053	18810	16211	22188	69048	20063	26731	0	10785	60525	Phytochemical	0.52380955	1.0	0.04761905
28	C21 H21 O11 N1	464.11874	464.1192	-0.10091968	464.11868	5410	4959	5976	5280	7014	5543	1095	2195	6640	18426	4253	1006	10729	2490	2743	0	0	11640	9329	10449	11924	12705	2967	3353	0	4034	1229	1284	0	0	1166	0	1638	1409	19998	0	1629	1231	0	9336	7452	0	0	0	0	12402	22272	0	1288	0	3134	3672	4728	0	10034	4204	2198	2195	2143	1339	3148	7892	12760	6712	2550	5325	1609	0	8595	12554	15823	0	1228	0	0	0	0	1301	4195	8917	2954	10043	982	2854	5842	2617	2809	0	1716	965	1248	2626	2826	11939	13242	0	5571	4701	4970	4923	5227	0	1068	2603	12805	1642	5809	0	1504	12795	Phytochemical	0.52380955	1.0	0.04761905
26	C21 H21 O11 N1	464.11874	464.11926	-0.15566963	464.11865	6460	2852	5410	3466	6825	4528	0	0	7557	16609	2958	0	15815	2233	0	0	0	14688	7887	9315	16906	16246	0	0	0	0	0	3776	0	0	0	0	1748	0	13511	0	1906	0	0	7757	5403	0	0	0	0	16294	29672	0	0	0	6415	5570	4877	0	14789	0	0	0	0	0	0	7460	16731	9198	0	6759	0	0	6071	8286	9820	0	0	0	0	0	0	0	2108	0	0	12650	0	0	6704	0	0	0	0	2892	2622	1868	0	9351	16782	0	5474	0	5213	4566	4662	0	0	0	13583	0	4143	0	0	18967	Phytochemical	0.52380955	1.0	0.04761905
10	C20 H21 O10 N3	464.12997	464.13065	-0.061934747	464.12994	22622	22542	20959	19371	13516	10053	10018	17994	20843	22808	16386	16964	30409	4906	13983	21928	26710	23560	30053	19700	26453	35813	0	19923	10153	1846	13833	5537	14107	13093	13876	13646	24482	16203	26047	12877	23831	16670	22360	32224	35615	14341	0	0	0	33914	49251	0	19650	13602	21771	22823	0	0	26319	15465	8963	21451	16499	19913	21294	25236	34301	24959	9883	22326	15692	27432	11704	7802	9051	17047	11865	12483	15209	15067	0	13280	17992	12059	16943	20925	10611	7357	21308	8578	16687	17711	12664	33938	10485	17850	34265	27210	17090	0	22431	24019	11624	19336	15230	22280	15129	23303	30391	25435	12472	0	16754	39087	Peptide	0.5	1.05	0.15
6	C20 H21 O10 N3	464.12997	464.13077	-0.038099855	464.12994	12714	10874	8558	8909	7989	4120	3246	6442	9536	9361	7105	6839	15282	1821	4220	10175	9794	9355	11585	5929	11644	14489	6438	7910	1380	0	2791	0	4742	4625	4520	7107	9488	5980	15393	4755	8859	4795	8762	8897	18236	4951	0	0	0	8984	23655	0	6872	5311	7928	9462	6524	0	12068	7147	5163	5872	6060	8080	7441	8552	20628	10289	5166	12630	7758	12639	1966	1434	4906	7372	5364	4314	4951	4882	0	6404	5664	4371	5299	6581	2966	2703	10919	6161	5378	7859	7120	11473	0	6120	14112	10439	9381	0	7232	9622	6210	10918	11600	8636	6622	9224	17004	7902	6371	0	3048	18716	Peptide	0.5	1.05	0.15
14	C20 H21 O10 N3	464.12997	464.13058	-0.0345199	464.12994	7283	13271	10919	13029	6654	8311	4602	9628	13559	12936	8987	7856	17551	5572	10315	12409	11057	17110	18775	8743	0	15845	13297	13876	8104	2272	5974	0	6240	7014	9854	0	10812	7860	15338	7161	11337	9331	15786	14990	20108	8259	0	0	0	19205	38990	0	9401	8410	13468	8460	11312	0	17212	8038	5950	12831	10994	0	0	15849	16296	15420	6309	12295	7950	10051	0	6544	7634	7577	6809	3169	8380	5825	0	8114	11111	0	10464	14570	5042	5126	11091	8198	11475	13500	5908	22623	5260	13412	21525	9644	9755	0	9922	10233	7060	9254	6804	14729	6488	8689	0	14777	8286	0	13529	20148	Peptide	0.5	1.05	0.15
12	C20 H21 O10 N3	464.12997	464.1306	-0.025097642	464.12994	17392	16228	15972	14519	12866	6626	10539	15821	19478	13110	13402	14025	20567	4226	12779	13824	21375	21276	23942	16600	35039	35728	18019	19126	8257	3645	8348	0	15003	12913	14444	11522	14043	10530	24099	10760	14472	15189	20508	28065	35483	12178	0	0	0	27888	40052	0	13308	11460	19321	17970	12511	0	21521	12454	8656	18234	15930	12562	0	24012	34044	19029	8717	19733	13459	27122	0	7194	8045	12855	10721	10804	11700	8519	0	13776	17380	21383	12881	18220	8785	7294	13496	8409	17841	13000	16232	35292	8813	19832	35304	20527	15165	0	20806	13754	10409	13271	12661	22650	13527	13194	30078	20973	12463	0	15112	30693	Peptide	0.5	1.05	0.15
8	C20 H21 O10 N3	464.12997	464.1307	-0.033490684	464.12994	19157	17083	16762	20086	12788	6973	8927	13683	19292	19326	15008	14218	0	2906	10186	16277	16328	15536	21069	15805	23682	39024	13105	19579	4836	1086	9772	4022	10259	11195	12168	12406	16610	11514	26695	10464	19918	9649	19718	21331	34851	10212	0	0	0	25403	40107	0	15649	15762	22396	17056	10874	0	24900	13161	9631	14213	11012	17435	15327	17981	32274	21873	9493	21712	9361	23161	7676	4325	12667	10843	11885	7455	9212	12325	0	11453	13483	12754	11465	17049	5747	8741	18050	8230	15125	14815	12484	26393	0	13125	33418	25299	16315	0	19088	20585	11720	16915	18321	16288	11972	17572	17403	21169	12263	0	8314	34036	Peptide	0.5	1.05	0.15
16	C25 H21 O8 N1	464.134	464.13477	0.0696777	464.13403	0	1956	0	2119	2419	1688	0	0	1419	10199	9117	0	0	0	0	0	0	0	0	5723	7650	0	1723	0	0	21127	0	7075	0	0	0	0	0	0	9341	0	0	0	0	6394	5796	0	0	0	0	2747	7774	0	1579	0	0	0	1599	0	0	1214	1068	1790	1187	0	0	2801	0	2026	0	2287	1639	0	17252	20438	31573	0	0	0	0	0	0	0	0	0	0	3239	0	2964	0	0	0	2052	1756	0	0	0	0	7184	8574	0	0	0	1940	1998	2017	0	0	0	0	0	1795	0	0	3352	Phytochemical	0.32	0.84	0.04
22	C18 H25 O13 N1	464.13986	464.141	0.17750876	464.13995	5859	6313	6991	8072	6598	5902	4306	1550	7281	25853	13080	0	8127	0	4082	2120	2279	3739	4304	13386	11819	14493	1291	1418	0	24335	4450	11889	3085	0	1809	0	2755	0	23944	0	0	1334	2948	16035	14297	0	0	0	0	9489	21624	0	2124	0	4509	6165	2048	0	5206	1188	3660	2713	5389	0	5344	11029	4663	4896	0	5307	4250	1667	21456	27365	32091	0	0	1869	8238	1385	302	1484	0	8408	0	9860	4062	9651	4840	1977	0	1976	0	1781	9361	6372	4019	10042	19588	0	5886	9143	6601	4933	0	0	0	3331	15389	2800	6032	0	2041	6285	Unclassified	0.7222222	1.3888888	0.055555556
10	C18 H25 O13 N1	464.13986	464.14056	-0.051254876	464.13983	16063	14721	14567	12186	23560	15693	7022	8875	31631	41424	22135	11909	71946	12447	13744	12855	16185	45081	48357	32185	36199	38762	20190	13907	5266	6523	6415	5187	10684	10769	10820	9782	13131	7165	26960	14303	13753	11568	13571	19088	30985	20945	593	0	0	26594	54518	0	12342	11999	27008	15138	20793	0	58463	46760	16268	7016	8134	8642	17518	12917	58066	42026	12728	34395	17704	11690	0	10103	11812	10578	7104	9528	11396	6695	0	9036	15181	11382	13339	20533	6059	9197	51799	18956	10418	15188	13172	9631	5961	11582	17353	33799	19510	0	13807	20242	27224	38865	47460	20570	10672	7804	0	15955	32098	0	8389	58528	Unclassified	0.7222222	1.3888888	0.055555556
14	C18 H25 O13 N1	464.13986	464.14053	-0.113956384	464.1398	31397	22148	20689	20123	42908	34422	10167	18683	75518	22217	43108	20383	143348	17752	31473	16256	18402	81276	83429	66560	56166	33085	36727	18504	7877	25439	7056	7807	16677	15048	12462	10450	24203	11225	95521	17129	19369	17795	10279	26771	50255	37184	0	0	0	28825	80425	0	13281	16905	22682	23881	31820	0	140667	64643	19576	11330	31519	8811	23428	23913	105364	86729	18978	54026	31876	12104	0	52839	49334	19225	11414	13772	15894	10503	0	18576	19887	33551	21597	35531	7612	31200	57806	31348	13918	18695	26682	13480	12028	22384	30472	47056	63900	0	21281	36625	43600	38930	43765	25162	21805	14409	59877	22346	44717	0	9859	103644	Unclassified	0.7222222	1.3888888	0.055555556
12	C18 H25 O13 N1	464.13986	464.14053	-0.15863532	464.1398	37766	34340	45184	30520	67384	48108	17780	44210	134188	32528	41158	36002	214858	25982	54472	17486	41892	153848	148830	69203	120868	44556	80230	24958	13660	8141	3783	0	28736	25734	27192	17554	51984	19622	77234	27802	34362	36798	23774	21096	64496	57794	966	0	0	57711	80418	0	27383	40352	30560	33354	56662	0	225054	121906	48832	26262	37762	25150	0	39920	194608	147586	42980	102804	53586	26422	0	24592	46008	14366	21776	28004	23204	23858	0	32620	41802	56908	41760	43640	14218	25090	125294	52492	32576	36460	44546	36789	0	36395	48786	74482	60605	0	38730	68334	88836	78748	97124	49486	40764	21998	97660	29998	98086	0	12052	187324	Unclassified	0.7222222	1.3888888	0.055555556
24	C22 H25 O10 N1	464.15512	464.1556	-0.100981705	464.1551	12940	19366	12120	16925	14367	14077	3068	6108	24947	51158	17498	3863	38114	9352	7414	6835	3253	23031	20677	30816	35619	21858	9275	8807	4520	21720	2117	12074	5189	2542	5768	4255	5905	6443	47246	2449	7904	4793	2554	24116	22569	4514	0	0	0	32329	43121	0	7741	6374	14595	13959	8844	0	19567	14808	5313	5364	5336	2653	7583	20852	31508	22501	4529	20276	6119	4725	26156	48172	35296	6958	3949	4031	1677	1659	0	4385	12599	12461	10069	23570	3271	15876	18318	10581	7645	6443	10097	4886	4204	6752	10972	19744	31464	0	18718	12436	16208	16533	13132	3611	4713	8806	26630	5992	15162	0	4854	35553	Phytochemical	0.45454547	1.1363636	0.045454547
10	C22 H25 O10 N1	464.15512	464.15576	-0.08640961	464.1551	84714	142188	82419	67909	41425	35213	37240	65054	51933	203761	96459	39522	82386	28254	43993	61561	44595	59127	72987	149511	176378	276560	46545	65900	27842	67243	32057	67265	48522	49010	46093	42163	55992	49235	247060	53798	57001	38834	53103	273366	254276	29281	670	0	0	120644	130285	0	60874	51276	162556	72371	39159	0	72442	41219	23167	64146	57664	54275	57523	97696	71203	60056	22459	66595	39055	59291	80898	99874	122402	56970	52495	50824	34213	47216	0	33826	106342	71055	45565	149394	40412	65104	50906	30970	46943	33999	34777	55256	57152	73099	76132	94573	243022	0	79163	83416	39483	36627	40870	66032	31823	73291	98898	47683	37559	0	37239	74029	Phytochemical	0.45454547	1.1363636	0.045454547
8	C22 H25 O10 N1	464.15512	464.15585	-0.06787892	464.1551	41460	82292	37604	43827	23037	16710	15665	30059	32651	112875	56248	17133	48870	13121	21213	29830	26811	29843	39062	75721	99414	170406	29183	35916	13042	24088	17657	34315	25815	24992	23416	24560	33183	19350	286592	22277	28556	33188	54990	62765	147084	17472	0	0	0	65783	79365	0	31718	25095	45404	73438	21201	0	44112	26009	13066	22130	23897	61860	31893	47039	53640	34796	13016	32564	20395	30890	38143	44614	58294	28954	24147	20342	16314	22904	0	19655	29465	38165	20477	38121	20370	29366	27551	14841	23559	12224	18733	68158	21469	44165	86762	56827	78030	0	40723	38152	26967	53588	29050	32402	16078	42979	38010	23933	26744	0	16836	45117	Phytochemical	0.45454547	1.1363636	0.045454547
22	C22 H25 O10 N1	464.15512	464.15567	-0.11089617	464.15506	42043	43124	38246	33313	37460	37042	10286	20613	47721	125083	39843	14594	62918	29183	17908	18540	11935	61839	46761	82084	98783	63078	30634	29774	16817	60572	16702	29514	16367	13172	15908	16429	18288	15539	108055	22413	25622	14663	10894	69886	44238	20180	0	0	602	81528	90455	0	19414	14814	32392	38941	30129	828	56706	33842	22191	18682	19948	10574	19429	50385	63966	46195	41177	50206	25752	9452	64923	86580	72025	23742	17635	11521	10520	13786	363	18756	28647	29348	22306	61406	12587	40104	52146	23164	21086	18311	22669	14794	26087	28713	33026	44210	68811	0	32847	43008	37267	29819	37610	20905	14950	20562	63581	18939	35742	0	13369	66528	Phytochemical	0.45454547	1.1363636	0.045454547
26	C22 H25 O10 N1	464.15512	464.15555	-0.110095955	464.15506	7689	7507	8355	8725	9687	5403	1564	0	9354	31081	6476	0	19826	6521	0	0	0	17811	8887	21124	25115	11293	6324	5043	0	11882	0	4295	0	0	0	0	4652	3600	26168	0	4825	0	2296	16765	7954	0	0	0	0	19370	15834	0	3303	0	7221	7112	4990	0	9414	0	4318	2237	0	0	0	8758	16642	11287	5256	7268	3246	0	15846	27304	24364	3008	0	0	0	0	0	0	5177	6410	3777	7449	2466	3878	11592	0	3336	0	2729	1869	4200	4868	4601	8959	18356	0	5600	9631	4321	4544	0	0	0	0	9630	3150	4150	0	3197	20622	Phytochemical	0.45454547	1.1363636	0.045454547
28	C22 H25 O10 N1	464.15512	464.15558	-0.14843795	464.15506	4845	5380	5599	5126	4905	4236	970	2441	5508	20552	4970	1004	11090	2547	3228	2349	0	7841	7746	13641	15043	7985	4348	4020	2387	10613	1556	5635	2157	0	2464	1266	1791	1915	19921	0	2565	2421	2220	7412	8241	0	0	0	0	7527	10258	0	2060	0	5689	3551	3900	0	7396	4953	1881	2117	1932	1539	3171	7258	8693	4485	1995	5012	3089	2039	12254	20354	18820	1374	1783	0	0	1707	0	2715	4547	7076	2498	5616	2816	3767	7057	2269	3499	1810	2387	1101	2647	3048	3885	6637	11634	0	7142	4688	2475	3228	3145	2476	1200	3388	7213	3358	4044	0	1351	9348	Phytochemical	0.45454547	1.1363636	0.045454547
20	C22 H25 O10 N1	464.15512	464.15567	-0.11194431	464.15506	84674	89765	96654	84460	82669	81921	32343	65780	102926	251662	108533	29868	157659	46643	53400	57237	30027	136455	118247	217817	217803	155841	59218	64710	53189	146603	29343	84717	50930	51020	52316	44201	52172	52254	287519	42842	64766	38719	30772	166900	99121	46827	4028	580	339	173713	182552	485	54544	49322	94961	93282	64866	739	119995	70354	43196	53912	53259	30421	61162	109586	123925	86911	48727	95455	59180	25872	133925	188156	155701	54238	43422	44073	37281	40676	530	40800	65003	83016	52020	118029	39667	102994	91704	57528	56821	43723	49755	44507	59193	92745	87019	115935	143742	0	100702	93789	77925	70692	76723	53165	33849	61052	141663	60025	69674	0	43597	144151	Phytochemical	0.45454547	1.1363636	0.045454547
14	C22 H25 O10 N1	464.15512	464.15576	-0.049832903	464.1551	183005	195893	151177	168502	106951	92731	87321	147381	120380	471682	235446	83590	191364	64294	113470	139890	93868	170681	172105	404292	409453	297198	119422	156125	100971	212862	70101	176728	135925	119959	111726	137344	148848	116146	602610	121489	138089	90335	91659	333383	258253	89991	3553	0	0	304022	332532	0	123164	128056	165189	163279	95134	405	173416	93794	68704	132699	195527	103385	151131	254942	187133	132886	64138	130729	95457	86676	227878	303260	260169	122444	109989	127129	86625	104746	0	99830	113567	180287	95135	191785	103995	199119	116430	86456	99078	89675	93275	141838	150954	164392	194003	194989	278772	927	170977	178896	85233	92827	88276	129953	79350	187524	253840	112445	87097	0	88553	165155	Phytochemical	0.45454547	1.1363636	0.045454547
14	C21 H25 O9 N3	464.16635	464.16693	-0.09687183	464.16632	0	31266	38187	40504	19206	23808	0	55216	20214	25577	17168	26710	25551	13206	45985	62158	42911	33366	36247	35763	33267	0	44432	0	52914	7912	30628	21194	49872	41759	43496	43630	61989	37610	42000	42471	48158	39972	47139	41140	32583	26926	0	0	0	42413	33307	0	42569	48486	36747	37811	21952	0	33495	11638	16078	64089	56223	34633	53849	36979	27241	25792	16756	27227	26877	44738	0	16143	7168	41419	37758	38384	34957	38110	0	37960	41134	27638	38361	30907	40075	24332	17631	17223	45168	31646	29578	71260	51101	56598	96725	21448	36275	0	37326	36149	16084	15847	15838	0	31159	52258	32217	51962	12881	0	41074	31368	Peptide	0.42857143	1.1904762	0.14285715
6	C21 H25 O9 N3	464.16635	464.1671	-0.11730121	464.1663	35170	32425	31342	38119	14995	14973	22337	41700	23013	37386	23442	23713	28056	7199	29418	38975	36662	25547	33136	30081	44449	52517	30158	50535	16301	4466	22147	13152	30998	30813	31060	37552	40305	30286	50289	31900	40221	26559	45918	33399	52107	16962	0	0	0	39096	54445	0	44665	34615	34759	37237	18970	0	25761	16694	12799	40644	26347	33378	42030	25547	26546	25275	15138	21378	24718	51360	10772	16400	16229	32440	30440	26760	19818	27408	0	24816	30327	17060	22338	23467	21582	18377	19076	15846	32125	23306	21718	63061	28264	46788	69722	27084	33504	0	34368	30428	11717	16181	19954	41518	22400	47860	26831	42738	15394	0	23374	32320	Peptide	0.42857143	1.1904762	0.14285715
16	C21 H25 O9 N3	464.16635	464.16705	-0.015181954	464.16635	20267	21177	18159	20464	11544	11451	24073	28097	11969	10446	0	13458	13726	5099	26002	28738	19649	14169	23980	15073	11697	38619	24795	35144	26739	0	19825	0	24666	20160	23975	24844	33553	25576	13356	23814	27661	21436	22653	17985	12024	12548	0	0	0	18110	9124	0	29671	21410	18747	16680	15805	0	15084	6151	11056	30087	30700	16483	20428	11823	14589	9980	10691	18144	16427	23674	0	0	0	23410	19740	22176	18269	20915	0	15446	21715	0	13432	8420	19238	8530	6707	12281	0	16014	13699	45927	29539	30476	66499	13911	17958	0	16914	30689	7733	4196	10609	26680	12669	22658	0	34786	8732	0	22773	18314	Peptide	0.42857143	1.1904762	0.14285715
12	C21 H25 O9 N3	464.16635	464.167	-0.08821402	464.16632	68665	64933	61858	68952	26388	0	68307	93755	34553	61481	30339	55576	37542	13440	58789	0	72261	49342	56203	64350	62665	114471	66030	89376	56752	10131	42569	29700	77257	53435	67263	70858	93705	68816	72744	68469	69248	58940	89612	87128	56887	0	536	0	0	83030	75181	0	76393	0	64084	57798	36913	0	40285	19414	27468	79077	95864	71601	91116	58986	42199	31007	21452	0	39804	98478	0	27213	22731	76197	63945	59395	40768	57140	0	0	68515	39565	63070	52789	0	38970	23338	25934	66368	40250	44296	129367	52252	96051	131215	53302	46642	0	73519	75970	26381	20860	16251	75409	50087	71161	51469	90321	24037	0	62253	49798	Peptide	0.42857143	1.1904762	0.14285715
4	C21 H25 O9 N3	464.16635	464.1672	-0.096307494	464.16632	21878	19842	16720	17676	9472	7184	10576	18730	13748	14372	10334	12794	19302	5288	12356	20612	26096	13151	15616	15426	19254	33158	18874	26026	6650	1826	9154	0	12526	15960	16220	16268	19456	12106	26048	16832	18388	12040	35206	19118	28168	10250	0	0	0	18432	31276	0	16770	17700	15436	13966	10060	0	14608	10934	10024	18922	12966	19072	23990	12324	17538	13444	7960	14892	11936	29660	7632	4476	10152	13082	10700	14953	10738	12064	0	12490	17666	9368	12286	12490	11142	7294	13474	8136	17854	12268	10310	36180	11328	18568	35032	13808	17632	0	13584	16738	8346	13084	14984	17256	10148	22462	13268	20414	8150	0	12302	15716	Peptide	0.42857143	1.1904762	0.14285715
20	C26 H25 O7 N1	464.17038	464.17093	-0.119522154	464.17032	4503	5779	5628	5172	1802	3100	2521	2035	2583	11894	18042	0	0	0	0	0	1513	4469	4149	8779	11635	4740	1274	3880	1448	32290	0	18312	0	0	0	0	1716	2245	9853	0	0	0	2133	9643	19049	1738	0	0	0	6580	6697	0	0	1813	3872	2253	1421	0	2755	1213	0	2963	0	2061	3304	7602	1953	2737	0	2660	3893	3384	35350	32981	44887	2469	1109	0	0	2323	0	0	0	4230	1963	4020	0	0	2244	0	2054	1888	1389	5581	2305	3450	5773	5056	9848	0	3328	2644	2613	4332	2516	0	0	0	2853	0	1738	0	3619	3936	Phytochemical	0.26923078	0.96153843	0.038461536
16	C26 H25 O7 N1	464.17038	464.1711	-0.08833339	464.17035	0	0	0	0	1901	0	0	0	0	6866	6717	0	0	0	0	0	0	0	0	3266	4649	0	0	0	1536	18074	0	5298	0	0	0	0	0	0	3901	0	0	1438	1268	2789	6661	0	0	0	0	3916	3194	0	0	0	3406	0	0	0	0	0	0	1705	0	0	0	3265	0	1202	0	0	0	0	15695	20604	19916	0	0	0	0	0	0	0	0	0	0	0	0	3262	0	0	0	0	0	0	0	2402	0	0	2633	0	1969	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.26923078	0.96153843	0.038461536
18	C26 H25 O7 N1	464.17038	464.1708	-0.059989754	464.17035	0	3156	2449	0	1877	0	1104	0	0	7797	10065	0	0	2489	0	0	0	0	2181	6983	9845	0	2333	0	0	26373	1582	12004	0	0	2370	0	2349	0	10034	0	1924	0	2012	6766	8665	1616	0	0	0	3586	6538	0	2269	0	2640	2819	1998	0	0	1456	0	1903	0	2597	0	6933	0	0	1233	1568	0	1665	23617	29760	34710	0	0	0	0	0	0	1116	0	3936	0	3478	0	6315	0	2268	1790	0	1706	4086	3405	0	0	2480	2374	0	2809	1757	0	0	0	0	0	2454	0	1827	0	0	1342	1950	Phytochemical	0.26923078	0.96153843	0.038461536
22	C26 H25 O7 N1	464.17038	464.17087	-0.08255078	464.17035	2963	4613	3323	2926	3246	0	0	1367	1317	12979	23882	0	0	0	1176	2236	0	0	3078	5538	11862	5662	0	1477	2303	38351	0	23217	0	0	2005	0	0	0	8517	0	0	1541	2219	10871	22556	1171	0	0	0	8116	13281	0	2715	1740	3391	3599	2774	0	1638	0	1218	2859	1572	2209	2201	8445	2514	2729	0	2915	1503	0	34227	32566	56278	1216	0	0	0	0	0	1706	2689	8272	0	5101	0	10010	2620	1519	1807	1630	0	3292	6031	3416	3150	7058	5013	0	2963	2050	2296	1882	0	0	0	0	5682	2331	1284	0	2361	1480	Phytochemical	0.26923078	0.96153843	0.038461536
24	C26 H25 O7 N1	464.17038	464.17072	-0.14038172	464.17032	3648	1963	1562	2423	1741	1880	0	0	1318	6169	9397	0	0	1567	1685	0	0	0	0	2932	8278	1310	0	1098	0	18170	1366	9533	0	0	0	0	1670	1667	3504	0	0	1054	1099	7608	12873	0	0	0	0	4595	8855	0	978	0	1986	2363	1309	0	0	0	1433	0	0	0	0	4505	0	0	0	1879	1096	0	20556	13993	28097	0	0	0	0	1045	0	0	1122	5608	0	6529	1366	8550	1801	0	2370	1597	1851	0	0	0	0	3215	3299	0	3104	0	1387	0	0	0	0	1288	3325	1271	0	0	1339	1287	Phytochemical	0.26923078	0.96153843	0.038461536
10	C19 H29 O12 N1	464.17624	464.17688	-0.22025685	464.17615	18371	16453	28213	14678	13218	12983	10755	27933	20420	19704	11856	18422	29548	6679	22015	21009	17884	21381	24849	37345	41766	42358	22300	29330	21344	7654	9361	7344	22373	21674	19077	26374	34888	15212	35724	30316	16796	14516	20260	23179	30200	14002	0	0	0	38159	35130	0	17322	18472	14830	14001	12439	0	29810	15397	9004	16271	18737	12093	26266	21748	20079	20925	12674	13871	13836	11435	10225	17755	12743	16550	27336	19919	19055	23583	0	17108	17044	0	24179	13449	18349	14653	19789	17189	15432	10778	12835	22602	16043	15847	21762	12744	18337	0	24687	22712	14026	15105	20504	23626	12516	19650	0	19212	18068	0	11509	24144	Unclassified	0.6315789	1.5263158	0.05263158
18	C23 H29 O9 N1	464.1915	464.19205	-0.07767632	464.19147	257581	269947	250199	242566	189119	158237	135915	302797	182095	525754	276158	136263	267984	129010	197030	254646	156729	261156	311828	603169	551096	304727	215737	308131	193768	483294	133485	248314	265899	223382	227485	230784	250128	241667	576756	255665	263614	153027	142297	441907	272649	163925	6382	424	313	341025	0	685	251867	226329	258051	250303	151751	1152	234282	163058	114695	236279	216517	138432	261570	271370	244662	180089	99690	201153	169655	152637	403375	586897	490463	231225	200594	234728	171189	229202	435	167877	187455	158897	169379	190123	180576	233082	213207	148418	174612	151347	152423	172341	237918	307609	357987	175279	325368	1770	269064	272357	167309	140715	154041	251217	143715	285978	181900	203039	153000	668	153939	241940	Phytochemical	0.39130434	1.2608696	0.04347826
28	C23 H29 O9 N1	464.1915	464.19202	-0.13064124	464.19144	7061	6833	6364	6305	6062	5530	2075	5430	6948	19679	5690	2302	13750	2124	4887	6549	2402	9219	9024	15976	19919	7364	4478	7254	3441	18616	2125	6618	5391	0	3513	5482	3806	4379	18176	3791	4870	2476	3692	8941	8185	2775	0	0	0	8559	6083	0	4312	4993	6420	5449	3885	0	7626	3760	2371	4281	3316	2691	5831	6008	8115	5307	1639	7524	3100	2736	16246	30302	25066	5821	3955	3537	2645	2412	0	3455	3772	3546	3646	2959	2774	7112	5146	4348	3463	4668	1913	2904	4027	6896	5685	4143	8093	0	8218	6121	3509	4744	5103	3878	2495	3173	4810	4843	3558	0	3770	10438	Phytochemical	0.39130434	1.2608696	0.04347826
16	C23 H29 O9 N1	464.1915	464.19214	-0.08996051	464.19147	634366	672868	659144	675186	436586	369095	409436	700524	486610	1145052	623790	386970	566832	268438	526998	668120	467446	600086	703428	1397240	1179612	743018	546564	768994	489728	1094594	371434	603718	603863	597323	622214	651872	664140	487386	1313180	667106	642406	431530	468590	967256	740718	363640	13878	1032	1226	769750	597100	0	651718	639488	692558	643320	369446	1956	545988	359576	285540	664849	576252	417750	708098	595572	515354	427066	229514	334468	402454	445658	894518	1322844	1172734	689386	584717	699388	547778	618108	662	409788	509690	453264	440654	491164	516882	596576	464690	299720	512202	350098	391218	564800	583522	674908	991886	447144	725647	4488	663168	698948	375184	333264	363784	661482	375200	713080	438086	681218	388250	1362	475092	570866	Phytochemical	0.39130434	1.2608696	0.04347826
22	C23 H29 O9 N1	464.1915	464.19208	-0.12299933	464.19144	90612	83357	91546	90167	89494	71316	30161	0	98343	246542	106631	41081	131467	55517	51791	73411	39714	129127	110907	232795	218607	110493	75865	0	59611	218916	25355	91554	70107	53103	0	62241	70570	0	262323	56499	83243	54930	38202	148757	91834	50722	2384	0	392	131624	110425	0	64727	63071	92874	95746	64869	335	109380	83134	44218	65366	58534	29701	68716	108924	109180	81460	38461	102703	60473	35748	156538	261603	223330	0	0	53500	0	56475	579	51140	69700	59239	59853	76755	47640	93299	100849	58362	63987	0	44735	51461	69868	96498	103275	66004	130294	0	92898	93079	69653	75326	73075	73446	42345	86428	89965	61197	70662	0	45871	126383	Phytochemical	0.39130434	1.2608696	0.04347826
26	C23 H29 O9 N1	464.1915	464.192	-0.15983666	464.19144	7076	11329	14767	9963	12151	11239	1552	7151	14045	29715	10070	5496	29511	8089	6862	7180	0	20767	16550	25344	34919	15683	8732	10300	0	27935	2250	9957	5540	6936	7335	5448	6656	10715	31347	0	11766	4441	7179	21516	14982	7493	0	0	0	15206	18041	0	8073	7186	11429	11499	8626	0	16266	11965	5176	8204	5806	3370	8752	13389	24436	12810	5171	14783	8571	6455	28605	45692	45720	10422	6516	0	6324	6407	0	5416	9215	0	8777	10102	3359	9766	12271	6681	8262	7399	4875	7181	7075	6305	16307	7802	16762	0	11911	16128	9551	12912	9517	9265	6152	6723	9794	8632	7722	0	4711	20296	Phytochemical	0.39130434	1.2608696	0.04347826
24	C23 H29 O9 N1	464.1915	464.19205	-0.117739394	464.19147	36450	30962	30054	29954	38597	26200	10096	25956	30782	89404	30718	13974	59964	15049	17909	28059	12653	41238	48095	68059	73695	35589	26566	35124	14344	74431	10854	29983	19573	13729	19741	14585	23138	0	85610	16135	0	16154	11989	47186	40891	14511	0	0	0	44086	46748	0	25937	20129	34382	26567	25007	0	31485	32257	16385	21728	11583	7303	23802	35179	44321	30470	8303	41564	15756	10997	72042	94878	96470	26322	20530	12877	12679	14137	0	16288	28634	20653	21592	21630	14310	32789	45618	14919	24193	15877	15968	17026	20193	19741	31344	24304	46725	0	29885	34943	25005	26298	28236	21474	11400	23686	29136	25397	23130	0	13742	55648	Phytochemical	0.39130434	1.2608696	0.04347826
14	C22 H29 O8 N3	464.20273	464.20325	-0.14582354	464.20267	30336	22529	24825	27036	14618	18045	32717	42795	15584	21601	0	20652	11330	6296	37177	36375	30787	16454	24831	26668	30863	48382	33369	45608	45250	4097	25001	12638	35656	35837	36279	33413	53716	29264	35008	0	39936	25071	27695	38779	10649	12825	0	0	0	39376	19626	0	43003	31425	37840	29524	12776	0	22309	7611	10967	52961	52315	17576	46276	22980	10375	13208	9002	17726	18731	28628	0	15978	0	40199	33468	39368	28317	27065	0	29551	28513	0	20536	15112	33733	19000	7008	14438	30926	21328	22131	51296	70474	63984	88115	18876	24220	0	30889	35685	7120	12239	6981	43339	23703	53799	20387	45473	10813	0	39406	14902	Peptide	0.36363637	1.3181819	0.13636364
4	C22 H29 O8 N3	464.20273	464.20355	-0.098934054	464.2027	9023	8975	7280	8901	3998	5200	6329	11575	4253	5502	2823	5742	5420	1188	10519	12346	12507	6674	6625	7864	9777	16106	8086	14158	8475	1692	5397	0	8626	6272	8095	7586	10321	6801	11242	8515	11549	7628	13370	7843	8748	4329	0	0	0	8948	8568	0	10425	10119	10149	6600	4804	0	8556	5362	3467	10642	7308	6594	11620	6141	4922	5240	3950	5555	5170	11858	2646	3394	2425	7948	6496	7832	3664	6801	0	6944	10506	4879	7874	4951	6843	4483	3954	3531	10288	4943	5297	14750	13754	16422	26904	7246	9021	0	7282	10686	2859	6369	7916	10201	5657	11987	5885	11206	3277	0	7592	4481	Peptide	0.36363637	1.3181819	0.13636364
24	C27 H29 O6 N1	464.20676	464.20718	-0.1945352	464.20667	3207	3997	2745	3182	1829	1347	0	2547	1044	4350	9241	959	0	1543	0	4297	0	1643	2505	3584	3981	2586	1386	1877	0	29264	0	9380	0	2310	2220	2594	2021	0	3749	2175	0	0	1390	7166	11695	1816	0	0	0	4179	5846	0	1105	1519	5135	1377	3135	0	0	0	1504	1600	1542	2258	2023	4819	0	1245	0	0	3555	2947	29688	17914	25029	1554	0	1523	1635	1447	0	1320	3136	3724	1120	3744	1370	7331	0	0	5883	2281	1970	3541	2305	0	6491	4506	2675	0	3305	3956	1346	1994	0	3655	2065	2989	2645	4876	2040	0	2506	0	Phytochemical	0.22222222	1.074074	0.037037037
20	C27 H29 O6 N1	464.20676	464.20728	-0.21740527	464.20667	3763	0	2554	2293	0	0	0	0	0	3746	9576	1048	2498	2463	2948	0	4568	3584	0	7794	8982	4505	1364	7673	1498	23558	2887	20773	2971	1787	5537	1442	0	0	1688	5838	5727	2652	2446	8429	8946	1995	0	0	0	4995	3080	0	0	3443	1663	4149	1500	0	3253	1652	2030	3808	5741	1776	2842	3127	2608	1518	1696	0	3458	3286	14310	9632	27877	0	2228	2451	1739	2685	0	1227	3903	2504	1611	0	0	0	1620	2478	6271	2178	3103	6100	11628	9287	10121	4826	0	0	4663	6448	0	3816	0	4053	0	6768	2121	3295	0	0	5116	0	Phytochemical	0.22222222	1.074074	0.037037037
22	C27 H29 O6 N1	464.20676	464.2072	-0.15392415	464.2067	3874	4704	3796	2980	0	1735	0	3317	1346	3806	14295	1768	0	0	2602	5288	3042	0	1971	6121	7723	3891	1642	2198	4017	27090	1057	9187	4200	1468	1244	0	4314	1611	3341	2271	2216	1349	3054	11644	15418	2089	0	0	0	5268	6931	0	3090	3022	3418	3690	1485	0	0	0	1020	2248	1918	3249	2454	4208	0	0	0	0	3494	2711	30150	19429	33670	1155	3742	2283	1635	3550	0	1501	3517	5279	2516	2594	2567	8351	1777	1152	4171	2381	1390	7122	4401	0	6210	2534	3076	0	2891	2973	1121	2247	0	2122	0	3289	2289	2336	0	0	1373	1787	Phytochemical	0.22222222	1.074074	0.037037037
20	C20 H33 O11 N1	464.21265	464.21307	-0.39247954	464.21246	6893	5425	4207	5253	4865	7402	6677	8501	11030	8650	2791	2399	16808	3667	10380	0	0	9502	12057	6778	4765	6987	6912	6937	12870	0	2793	0	11222	5928	5567	8084	8962	6699	9648	7709	8383	5063	0	2332	0	0	0	0	0	0	0	0	6707	4552	4937	7379	3152	0	35831	4397	3737	5350	6843	0	4355	3199	11441	13405	0	9383	6617	0	0	0	2877	5695	6131	6816	2545	6241	0	5471	6363	0	3959	2445	5023	0	3283	7305	4123	0	5981	0	0	10182	12578	2780	0	0	5602	8053	3675	0	3644	8505	3774	7788	0	0	3634	0	4037	14540	Lipid	0.55	1.65	0.05
6	C21 H29 O7 N5	464.214	464.21466	0.010792473	464.214	0	10262	5504	2287	3166	5864	3858	8164	4138	0	0	2404	4726	0	6443	9203	4746	5680	6346	7154	4440	13534	8663	6456	6380	0	4396	0	7688	7414	2690	7234	13182	7102	5488	7498	6670	2221	3395	0	3168	0	0	0	0	0	5376	0	8566	7680	6656	7991	0	0	6924	2902	1556	8855	5048	1994	10461	0	3880	3468	2916	2957	3578	5439	0	5034	0	8493	5562	7866	0	2633	0	0	7012	23824	0	2794	2886	0	3572	0	0	2181	5466	14540	10242	9628	6766	7257	8088	0	0	10918	4132	1866	2702	0	1940	0	0	0	2072	0	8818	2069	Peptide	0.33333334	1.3809524	0.23809524
4	C21 H29 O7 N5	464.214	464.2146	-0.052491862	464.21396	1667	2244	1916	2048	1086	1264	1302	0	2096	0	0	845	17244	7209	1216	1969	2138	979	931	0	0	1225	2010	2134	1299	0	735	0	0	2194	1346	2139	2426	0	0	0	2127	1328	2315	0	708	660	0	0	0	0	932	0	1419	1269	1837	1321	1189	0	1525	3493	765	1783	816	881	1751	0	1131	1573	0	9403	1892	0	0	0	0	1430	1241	2111	1182	1524	0	1410	1361	13969	1471	1053	624	0	736	805	1689	1221	0	3871	2934	0	3551	1014	0	0	1384	1652	1194	8328	6914	1738	1159	1507	0	1161	2399	0	674	35542	Peptide	0.33333334	1.3809524	0.23809524
28	C24 H33 O8 N1	464.2279	464.2284	-0.16424026	464.2278	7970	6360	8497	6836	10389	5601	2641	6621	7801	14973	5894	2477	14072	4287	4605	9206	5035	8881	11487	12185	15446	3647	5673	8859	3763	25508	1980	6690	6748	5067	5267	6958	6979	5141	15031	8693	6192	2465	5391	8893	9169	3000	0	0	0	4667	7706	0	5172	4532	7557	7156	6604	0	11451	7334	2090	5574	2989	2529	10000	3753	8327	5965	2541	9359	4906	5186	23623	36880	36959	6485	5516	3561	3117	5766	0	3725	5596	4863	3081	3022	3139	5645	10053	2545	5067	3985	3041	9423	7177	6414	8573	2337	4760	0	8104	8547	6086	7516	7588	6660	3603	8862	0	6925	4668	0	3511	10583	Lipid	0.33333334	1.375	0.041666668
6	C24 H33 O8 N1	464.2279	464.2286	-0.15167774	464.2278	14445	12514	14055	14475	4757	5084	10851	20772	6022	16775	7776	7977	5803	2172	11736	17661	11394	5170	6290	24252	24756	20234	7465	21882	13074	8459	6871	4555	18168	15783	13945	18541	23021	15783	23123	17252	23497	8801	14855	11643	11476	5153	0	0	0	11713	8834	0	24152	16342	14681	13784	5139	0	5756	2855	3989	17038	3608	3828	12361	7064	5486	5906	3238	5401	6695	14738	5661	14439	13171	15654	13213	16727	9280	13107	0	9998	8859	5787	7467	4300	6071	10139	3368	2757	9242	4519	6598	16897	13727	12418	25811	10984	15411	0	14059	14138	2790	2549	3688	19802	8582	21885	0	16614	2768	0	10200	5673	Lipid	0.33333334	1.375	0.041666668
8	C23 H33 O7 N3	464.23914	464.2398	-0.083239295	464.23907	5924	4847	6856	5907	1208	3371	4619	5717	2835	6014	1789	3164	2635	1151	5055	6681	3578	1887	5817	6709	6831	7454	8504	9461	9145	959	4046	6717	6290	3478	7154	5359	7431	6809	9204	6545	8879	5807	3757	6662	2948	3693	0	0	0	7259	4052	0	6868	4422	6694	4198	2250	0	3643	9154	2320	9388	1251	1251	5550	4383	1534	1922	0	2763	2895	6550	0	3511	3630	6582	4163	5382	5816	5561	0	4425	4888	5778	2772	1314	2890	5504	1799	0	5409	2287	3206	13754	11685	21141	20477	4083	3748	0	7641	6154	1867	4680	7372	6883	4690	6842	0	7993	0	0	7593	2341	Peptide	0.3043478	1.4347826	0.13043478
2	C22 H33 O6 N5	464.25037	464.251	-0.29665127	464.2502	0	0	0	0	0	0	0	0	0	0	0	295	0	0	367	0	733	0	0	0	0	0	0	0	286	0	0	1430	451	0	0	805	0	0	0	803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1049	0	0	334	0	0	603	273	0	0	207	0	264	0	0	0	670	0	0	0	0	540	582	0	0	0	360	0	11476	0	0	0	0	0	0	328	0	0	0	24282	2437	0	1127	0	0	0	591	0	0	0	0	0	230	0	0	0	0	0	0	Peptide	0.27272728	1.5	0.22727273
10	C22 H33 O6 N5	464.25037	464.2512	-0.22497895	464.25024	1612	0	0	0	0	1715	0	0	0	0	0	0	0	0	0	0	1448	0	0	0	0	0	0	1607	0	0	975	24097	1235	1244	1175	0	1429	1116	0	0	0	0	0	0	0	827	0	0	0	0	0	0	0	1922	0	0	0	0	1243	0	0	0	0	0	0	0	0	1057	0	0	0	1188	0	0	0	0	0	0	0	0	0	0	0	78645	0	0	0	0	0	0	0	0	0	0	84705	14440	0	2273	1949	0	1192	0	0	0	0	0	0	0	0	0	0	0	1028	0	Peptide	0.27272728	1.5	0.22727273
12	C25 H37 O7 N1	464.26428	464.26492	-0.07638963	464.26425	10509	12464	8780	8881	3664	4004	12006	26669	1179	10984	5094	9042	0	1644	14440	11030	20985	1502	9740	14071	18587	10181	9595	11310	13903	6543	10698	0	20406	15106	22059	17501	27328	13925	18828	14311	14573	10785	22861	9824	0	3882	0	0	0	11207	7175	0	22588	11949	8721	11529	3635	0	1586	1606	3126	15241	0	0	0	5382	1654	2331	2416	1475	5565	29626	0	14554	6681	14143	15178	15910	10434	15556	0	14554	4765	0	6019	2347	2620	6438	1489	1468	7888	3782	5466	66752	26714	4892	30642	3702	12647	0	9170	7206	0	977	0	16671	12428	12730	0	16221	1462	0	8978	1369	Lipid	0.28	1.48	0.04
14	C25 H37 O7 N1	464.26428	464.26486	-0.14067717	464.26422	7424	9136	12024	7096	2809	5081	11073	18003	2131	9042	6083	7442	2015	1852	10755	22446	18010	3241	4498	15869	16004	7692	10918	12097	12792	6062	6952	8353	18108	21542	16196	20572	23804	16271	14979	17032	18595	9209	14275	8961	6106	5350	0	0	0	8611	4499	0	23206	15812	13094	9705	3914	0	2708	3081	2650	17051	0	0	0	3108	3471	2413	2778	3204	4597	17786	0	11934	7879	16137	13071	23084	17730	17960	0	10367	5009	0	6039	2456	1956	3932	3322	0	7095	3006	5140	52843	20103	8839	40195	6200	11973	0	9401	10095	1486	2291	3341	19479	9984	18221	0	15024	929	0	5423	0	Lipid	0.28	1.48	0.04
8	C25 H37 O7 N1	464.26428	464.26492	-0.09872561	464.26422	10202	6780	8643	8778	817	1678	9400	12355	1427	9749	3417	6700	834	1266	8325	9944	5061	1211	3630	11669	5583	11733	5810	9508	9120	3264	7326	3124	17005	13888	11881	14913	15686	8338	9892	13029	16036	8565	9377	5191	1578	3127	0	0	0	3510	3236	0	16794	10415	7780	7746	1287	0	0	0	1415	12172	0	0	14072	3296	0	809	1676	1094	2223	10829	0	6130	5202	9830	10988	12000	9609	9911	0	10326	3965	0	5618	470	1889	3020	0	0	5086	949	3894	19476	13736	0	42253	3202	6196	0	9037	7285	1202	718	0	16199	6744	18341	0	10591	0	0	6985	900	Lipid	0.28	1.48	0.04
10	C25 H37 O7 N1	464.26428	464.2649	-0.14365968	464.26422	12438	11110	9464	8947	2155	2252	8842	15432	1258	11122	7006	9269	1870	1328	12791	17927	11074	1578	5093	16672	12649	7137	7189	14487	10034	8259	8701	6706	20984	20974	18454	19157	17693	15176	14023	22552	23325	10006	8939	10848	2783	2622	0	0	0	9657	5942	0	17244	12031	11385	8044	3037	0	1184	1012	2064	13630	0	0	13589	4046	0	1438	2182	2314	5180	14312	0	10055	5372	14770	14068	16526	11965	17897	0	11898	7003	0	5033	1613	2399	6144	0	1339	7132	3754	4677	31749	15560	6254	35804	5555	9980	0	12301	8674	1607	1082	0	18963	8298	20690	0	12727	748	0	5898	1456	Lipid	0.28	1.48	0.04
16	C25 H37 O7 N1	464.26428	464.26483	-0.17011364	464.2642	18111	15310	18617	20571	7872	5225	12569	25173	6120	13178	9498	18415	3194	4546	19146	30602	23898	5798	13722	23938	15540	13273	15308	25433	15641	15997	16778	13553	22642	24728	27489	24871	29205	17060	16753	25047	22884	12909	21740	14584	13469	9476	265	0	0	11710	10648	0	32277	26443	15164	18072	6909	0	6958	6940	6212	23395	4453	12656	27813	5718	4820	4854	5065	4978	6346	26822	18783	17756	18457	20143	19749	26772	26900	20500	0	14075	7881	10128	12672	4433	10488	9284	8969	8249	18341	10682	8365	33225	27927	11276	49346	8797	22032	0	14619	21028	7747	8888	9138	33320	15790	25872	5715	22978	8662	0	19761	4843	Lipid	0.28	1.48	0.04
28	C26 H41 O4 N1 S1	464.2829	464.28293	0.16031563	464.283	0	1881	0	1165	11431	4722	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14819	0	0	0	0	0	0	0	0	0	0	2326	0	1323	0	0	0	0	0	0	0	0	0	0	0	0	0	1418	0	0	1741	0	0	0	0	0	7178	0	0	0	0	0	0	0	1275	0	817	0	0	0	0	0	0	0	2669	0	0	0	0	1123	0	0	0	0	0	0	1387	85876	11844	12139	0	0	0	0	0	0	0	16469	4555	26390	0	0	0	0	0	0	0	0	0	Organosulfur	0.15384616	1.5769231	0.038461536
24	C22 H41 O9 N1	464.2854	464.2853	-0.36986297	464.28525	0	2113	0	1240	0	0	3137	0	3077	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2380	614293	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2217	0	0	0	0	0	0	1011	0	0	0	0	0	0	2022	0	0	0	1978	0	0	0	0	0	0	0	0	0	0	30215	0	867	0	4029	0	0	0	0	0	0	2725	0	0	0	0	0	1773	0	3436	0	17822	0	0	0	5874	0	4835	0	0	0	Lipid	0.4090909	1.8636364	0.045454547
10	C26 H41 O6 N1	464.30066	464.30124	-0.12614667	464.3006	0	0	2380	0	0	0	0	1288	0	0	0	998	0	0	1137	2139	1968	0	0	0	0	1493	0	1752	1211	0	0	0	1724	3023	1347	2509	2102	982	0	1826	0	2266	2794	0	0	0	0	0	0	0	0	0	1468	1215	1512	0	0	0	0	0	0	2544	0	0	0	0	0	0	0	0	0	4507	0	0	0	2018	1824	2563	1524	1695	0	1041	0	0	0	0	0	0	0	0	908	0	0	25705	0	0	6342	0	0	0	1249	0	0	0	0	2371	879	0	0	1901	0	0	0	0	Lipid	0.23076923	1.5769231	0.038461536
26	C24 H49 O7 N1	464.3582	464.35843	-0.37499866	464.358	0	0	0	0	0	0	0	0	0	1675	2653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1677	27871	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4703	0	0	3111	0	0	2611	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1954	0	0	0	0	0	0	0	12021	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.29166666	2.0416667	0.041666668
26	C16 H16 O14 S1	465.03336	465.0341	0.053154144	465.0334	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8537	0	0	0	0	0	0	34460	19421	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2303	0	0	13169	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4462	0	3178	0	0	0	0	0	4617	0	0	0	3162	0	10761	0	0	0	0	0	0	0	0	0	0	0	0	21052	0	0	0	0	Organosulfur	0.875	1.0	0.0
16	C20 H16 O13	465.06638	465.06702	0.035191733	465.06638	15102	19316	11986	14848	53299	16236	1515	0	48761	9313	12843	6148	105339	12392	5712	2405	1635	46572	39731	4984	18881	32884	10239	2031	0	0	0	0	0	0	0	0	3920	0	14624	0	3126	7052	2120	3828	9186	9250	581	0	0	7736	34657	565	2254	1432	19417	18401	30516	0	41223	54155	21708	3629	1932	3250	0	6931	100812	52317	15585	55631	10970	1931	0	0	4003	1467	0	0	0	0	0	4087	11251	26490	13417	19981	1077	0	60254	17984	8443	10451	11343	0	0	3843	0	50716	18823	0	18433	11260	49235	68035	60531	4347	4318	2099	18986	0	38898	0	0	94851	Phytochemical	0.65	0.8	0.0
22	C20 H16 O13	465.06638	465.0671	0.16598852	465.06644	5519	3650	0	5235	24169	9685	0	0	17223	4516	1928	1553	35500	8083	2227	1413	0	20352	12711	2166	5014	7489	4248	0	0	0	0	0	0	0	0	0	1306	0	4333	0	1603	1904	0	1851	2445	3986	0	0	331	2144	11143	0	0	0	5562	3048	9738	0	19066	24096	5708	0	0	0	0	3129	39787	14058	4484	21925	3521	0	0	1807	0	0	0	0	0	0	535	0	8404	5180	5718	7207	0	0	28182	8229	3673	4281	3356	0	0	0	1930	15309	6888	0	5501	5586	12526	22179	20128	0	0	1309	9258	1437	15853	0	0	38193	Phytochemical	0.65	0.8	0.0
18	C20 H16 O13	465.06638	465.067	0.017229244	465.06638	14437	13049	13536	13949	32716	15215	1669	2381	39680	4737	5809	3969	90996	17017	6818	2790	0	44155	33846	3768	10577	29053	10827	1819	0	0	2379	1386	0	0	0	0	2567	0	9194	0	2733	5156	0	3651	9560	6092	791	0	0	6274	25875	610	0	0	11514	14377	23709	0	42273	52347	18663	2116	1775	3400	0	9429	86464	44485	13656	52871	12030	2636	0	0	0	0	0	0	1624	0	301	3278	14883	18479	13219	16850	0	0	61893	20092	5792	9494	9982	3377	0	5484	3019	37750	15458	0	13443	8819	33148	59121	51380	1945	3734	2368	14951	1904	34938	0	0	79519	Phytochemical	0.65	0.8	0.0
14	C20 H16 O13	465.06638	465.06708	-0.02437113	465.06635	13356	17075	14642	15502	40130	14538	0	2457	46933	8555	12880	4675	64789	9670	4103	0	3659	39570	30947	4298	13541	45223	9867	2333	0	0	2547	0	0	0	0	0	3751	0	12327	0	4120	6460	1621	3460	8598	8604	0	0	0	7521	27260	0	0	0	8736	8406	18589	0	32532	46771	17228	0	0	0	0	6406	86880	46054	14185	44694	13253	3394	0	0	4454	0	0	0	0	0	0	2984	13862	19483	11360	12287	0	0	52389	14816	12189	12769	9119	7494	0	0	1959	55559	12751	0	16955	12231	39289	65515	61738	2259	3899	0	24272	2076	35330	0	1390	65321	Phytochemical	0.65	0.8	0.0
12	C20 H16 O13	465.06638	465.06708	-0.020004818	465.06635	14028	16306	13596	14094	51026	13010	0	0	56402	5940	13226	6878	69930	10876	2486	0	0	27812	34594	8162	11994	35714	7354	0	0	0	0	0	0	0	0	0	4218	0	23332	0	0	4482	0	3838	14304	12258	0	0	0	12880	46210	0	0	0	14626	23136	24488	0	40906	51102	16290	4602	0	0	0	10814	114986	61110	13622	68388	13818	0	0	0	2764	0	0	0	3258	0	0	0	12418	0	13264	12010	2192	0	70636	11292	13860	13796	14586	9214	0	0	0	60910	17910	0	14944	6204	68286	84034	58076	0	4158	0	0	0	42144	0	0	99192	Phytochemical	0.65	0.8	0.0
26	C20 H16 O13	465.06638	465.06693	0.10011531	465.0664	4361	3549	2436	2787	9292	5235	0	0	9890	2916	0	0	28239	4237	0	0	0	15992	11716	0	0	5272	0	0	0	0	0	0	0	0	0	0	0	0	3439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5474	3221	5495	0	16232	9593	2922	0	0	0	0	0	31630	10094	0	11059	0	0	0	0	0	0	0	0	0	0	0	0	2969	0	4858	0	0	0	13298	0	2763	0	3379	0	0	0	0	5132	6333	0	2918	0	4895	9675	10310	0	0	0	0	0	5057	0	0	26438	Phytochemical	0.65	0.8	0.0
10	C20 H16 O13	465.06638	465.06717	0.006948977	465.06638	3231	3948	1884	1203	11687	2302	0	0	12385	0	1637	0	19162	0	0	0	0	6627	9305	0	2299	4093	1232	0	0	0	0	0	0	0	0	0	1817	0	2406	0	0	0	0	0	1404	1348	0	0	0	0	5789	0	0	0	1230	1370	4678	0	5227	14600	3497	0	0	0	0	0	27911	14883	2076	12408	1736	0	0	0	1525	0	0	0	1286	0	0	0	2978	0	2274	1990	0	0	12463	1860	1825	3700	1873	0	0	0	0	7876	2370	0	2022	1310	11884	23090	13806	0	0	0	0	0	9832	0	0	21053	Phytochemical	0.65	0.8	0.0
28	C20 H16 O13	465.06638	465.06702	0.19120629	465.06647	2626	4854	3189	4843	9664	5874	0	0	11549	2169	1581	2004	28787	5281	0	0	0	12757	13422	2413	2220	4836	3709	0	0	0	0	0	0	0	0	0	1011	0	4269	0	1663	1014	0	1604	2687	0	0	0	0	3204	6050	0	0	0	4137	4915	5865	0	16045	9432	3800	0	0	1249	0	2086	23862	10439	3048	13329	2715	0	0	1514	0	0	0	0	0	0	0	0	3918	2864	4280	2624	0	0	13988	4899	3065	1227	1968	1380	0	1243	0	4721	5579	0	4528	4003	7658	9816	11737	0	0	0	5071	0	9564	0	0	24587	Phytochemical	0.65	0.8	0.0
20	C20 H16 O13	465.06638	465.06702	0.06675996	465.0664	9417	4721	6566	9050	33987	12377	1146	0	30303	4837	3283	1026	60021	12269	3740	0	0	24684	17401	3231	4471	20710	4979	2004	2358	0	0	0	0	0	0	0	1999	0	11344	0	3267	3583	0	0	4506	3474	655	0	263	4731	15716	1023	0	0	7844	6208	18680	0	28727	34468	10868	1734	1848	2222	0	6981	59819	27608	8150	36288	5529	2009	2665	0	0	0	0	0	0	0	503	1348	8481	11049	8641	8525	0	0	40113	12754	4282	4678	6693	2106	3353	2833	2357	20553	10183	0	8163	9106	26814	33398	33578	2059	1162	0	12675	0	24810	0	1206	62267	Phytochemical	0.65	0.8	0.0
24	C15 H21 O13 S1 Na1	465.06732	465.0672	0.067786396	465.06735	2710	2168	3710	4213	14861	5706	0	0	13858	0	1068	0	36198	4849	1707	0	0	15637	6252	0	4601	7508	2511	0	0	0	0	0	0	0	0	0	1588	0	2782	0	1415	0	0	2944	3449	2122	0	0	0	2995	8864	0	0	0	3929	2658	6388	0	14546	17365	2592	0	1027	0	0	2923	31972	11895	1580	13300	2247	0	0	1629	0	0	0	0	0	0	0	0	3412	2672	4973	4716	0	0	24533	4336	1640	2017	1982	0	0	0	0	6600	4965	0	3702	0	10199	15053	14688	0	0	0	5526	1072	12534	0	0	31485	Organosulfur	0.8666667	1.4	0.0
16	C19 H16 O12 N2	465.0776	465.07864	0.06391305	465.07764	3814	10674	14343	0	16917	6030	4794	0	27195	70293	27096	2068	23782	5301	0	0	0	12502	12543	16506	32242	45251	4188	0	0	21468	0	12156	0	0	0	0	0	0	79819	0	0	0	0	11316	12612	0	0	0	0	9201	26939	0	0	0	10134	7266	6648	0	21351	18996	6423	0	0	0	0	15213	44919	17130	7247	25152	13744	2604	17538	23355	36459	0	0	0	0	0	0	0	0	27648	3408	14234	0	14700	25678	2070	6012	3252	6888	0	0	0	0	52203	50208	0	4575	11223	25529	14480	19925	0	0	0	32436	0	12684	0	0	37357	Phytochemical	0.6315789	0.84210527	0.10526316
12	C19 H16 O12 N2	465.0776	465.0785	0.09674955	465.07764	3274	0	0	0	5452	0	0	0	4350	2443	0	2662	13652	0	0	0	0	3046	3576	0	3458	8094	2404	0	0	971	0	0	0	0	0	0	0	0	0	0	0	0	0	2376	10004	0	0	0	0	0	18200	0	0	0	1782	0	3883	0	6850	7622	0	0	0	0	0	4036	24431	13286	1672	7958	1335	0	0	0	0	0	0	0	0	0	0	0	0	0	3325	3746	0	0	6974	1666	0	0	2436	0	0	0	0	13860	3150	0	0	0	4064	9888	4912	0	0	0	0	0	3428	0	0	13636	Phytochemical	0.6315789	0.84210527	0.10526316
18	C20 H20 O9 N2 S1	465.09622	465.09692	0.003996345	465.09622	0	0	2197	0	0	0	0	0	1698	4015	0	1081	1796	1434	0	1822	0	3891	0	0	2096	4776	0	2428	0	0	0	0	0	0	0	0	2386	0	3718	0	1695	3188	0	5646	5214	62384	0	0	0	0	2378	0	0	0	2183	0	0	0	1660	1860	1104	1587	0	1485	0	1486	2909	1456	0	0	1274	0	2095	0	3113	0	0	0	0	0	0	1936	2557	3120	0	1513	0	2639	1233	1230	0	1224	0	4587	0	0	3574	2700	5529	0	2275	0	0	0	0	0	1959	1822	1905	0	0	0	1794	1910	Organosulfur	0.45	1.0	0.1
10	C21 H20 O12	465.10275	465.10345	-0.03159076	465.10275	45032	48036	33566	41014	52844	29589	12358	17991	64071	85095	72872	20037	87850	19209	17683	24485	18013	60507	54176	49437	71829	78308	26406	19038	4630	10542	16291	22747	10800	12627	11516	13187	21765	15359	112704	5744	20854	22391	21154	40418	65818	16789	865	0	0	56994	110027	0	15196	15578	37530	39690	33836	0	61610	53211	22857	18476	15856	20566	23033	36646	88457	67084	26462	58450	27902	23965	30091	22499	48907	14926	15099	10874	33735	15677	0	11516	38891	41758	29988	48891	9755	12535	62975	28116	35654	29187	20896	25547	6678	16304	25178	92713	73876	0	38562	43977	60104	64124	64763	18752	15623	20688	59286	17866	49422	0	12733	90295	Phytochemical	0.5714286	0.95238096	0.0
24	C21 H20 O12	465.10275	465.10336	0.15840319	465.1028	8945	6475	5454	8571	11699	9442	1902	1269	14801	17392	5907	1870	36755	7291	2085	0	0	18743	14102	9463	13054	14238	4132	2322	1618	3278	0	2438	0	0	1596	0	2837	1798	17114	1725	2944	3547	2018	7497	6263	2183	0	0	0	13134	27575	0	0	0	8278	7815	9610	0	27404	12532	5176	1825	2294	2614	0	8621	38724	15870	5839	14555	4784	0	0	7372	6345	1670	0	0	0	0	0	1558	5428	6938	6157	19724	1688	4133	20597	8843	4118	2094	5814	2440	3891	4154	1707	15540	15836	0	7425	8333	10030	13061	15411	1460	1607	2024	17597	3040	12683	0	0	39177	Phytochemical	0.5714286	0.95238096	0.0
8	C21 H20 O12	465.10275	465.10352	-0.00461017	465.10275	16657	17648	10923	13710	20423	9291	4629	1950	27052	30297	28244	6501	30200	6906	4971	6410	7085	19863	22801	17847	23865	29207	8922	6698	1380	3818	5599	5760	3590	3899	1927	4801	6322	3478	41421	3188	6443	6737	7271	9760	23162	9122	0	0	0	14363	37490	0	2655	6130	14050	14436	12457	0	18904	22141	10221	4788	4422	8884	5034	8716	46029	19539	13097	17281	10813	13684	10510	9590	21561	6134	5431	2983	5601	4711	0	3232	14471	12458	9809	12143	2714	4900	27676	7399	12772	10668	9849	9641	0	0	5640	25976	18065	0	17493	13303	29447	33329	31019	7714	4862	4869	9879	5003	24332	0	4857	30093	Phytochemical	0.5714286	0.95238096	0.0
26	C21 H20 O12	465.10275	465.10336	0.1315183	465.1028	5158	4755	3032	4148	5524	6654	0	0	12480	10718	0	0	23367	2258	0	0	0	14817	6857	11134	8127	8805	0	0	0	0	0	0	0	0	0	0	0	0	11210	0	1792	0	0	2818	4750	0	0	0	0	13992	19619	0	0	0	5615	5178	4609	0	15835	10302	4852	1951	0	0	0	4548	20073	10145	0	8739	0	0	0	4531	4826	0	0	0	0	0	0	0	3097	0	3886	8215	0	2487	12508	0	3235	0	0	0	0	3135	0	5364	10711	0	3692	0	7219	7912	6631	0	0	0	9483	0	5737	0	0	19867	Phytochemical	0.5714286	0.95238096	0.0
14	C21 H20 O12	465.10275	465.10342	-0.019419411	465.10275	114607	110087	107383	108067	145156	90059	34370	45617	174035	215539	142763	45602	237529	68439	49910	54828	37863	178981	168813	145889	174659	260085	75547	53345	25619	28037	32620	54719	34710	32345	39770	39928	65056	33754	285236	29925	58411	55438	39840	106099	142965	50630	0	0	270	195006	335695	0	43806	36700	111578	107798	88873	0	176277	128371	71969	61799	81347	37218	56715	102574	271217	159963	58355	170258	75300	38546	71325	64085	82089	38099	37171	31370	26522	37645	0	46103	92175	147920	71223	181519	28069	44661	148312	77115	69808	60900	67429	64948	38922	59603	70985	242162	196038	540	109726	104254	139938	143810	130318	41750	42343	59158	328498	54115	114146	0	30863	226851	Phytochemical	0.5714286	0.95238096	0.0
22	C21 H20 O12	465.10275	465.10342	0.12288418	465.1028	16749	16075	16073	15610	36211	23277	3222	4044	35549	26883	7890	4075	54764	14127	5947	0	1891	42497	31490	18318	28585	29010	9959	4045	8324	5099	2793	4154	3045	1972	5358	0	4385	2372	46206	2794	9981	9170	0	13310	13911	4045	0	0	0	40023	59704	0	4270	3268	19302	21587	23879	432	43238	31956	13368	4400	7339	5823	2918	18791	61541	34908	7756	35640	8339	2784	7786	15524	15366	3429	2570	2168	2826	0	0	6022	16191	22926	9980	40388	0	10807	42062	19714	16202	9072	8149	2631	6419	12191	4765	34608	34613	0	17271	15256	27619	27259	28280	6365	3739	6194	46069	6859	27462	0	3253	76149	Phytochemical	0.5714286	0.95238096	0.0
16	C21 H20 O12	465.10275	465.10336	-0.022605937	465.10275	109661	105626	97856	97366	153927	104442	30871	41410	191329	207973	109410	34240	310854	62450	62452	39734	31546	230386	193544	166258	170460	216687	77137	42040	25802	28148	23249	53270	32560	25429	41542	27299	58508	32260	281086	28885	68814	58126	24093	108902	101594	52081	2886	0	0	181716	279248	648	40872	28116	105982	109900	116553	0	206341	143906	67329	50813	51443	36931	46425	102447	279081	157060	55939	191865	70829	24464	57191	71173	78609	42684	34674	30504	21085	32409	518	40371	92397	157627	68380	211636	32849	38341	146752	79500	71239	51068	64722	28472	42638	78676	55649	212322	187808	613	111760	105039	131549	153155	141888	45407	40419	44167	193528	49824	140360	0	29748	286715	Phytochemical	0.5714286	0.95238096	0.0
16	C20 H20 O11 N2	465.11398	465.1147	0.076175414	465.114	21632	20348	20251	25211	19710	14478	8393	8694	33131	32266	17132	8793	42522	10867	10075	13441	12648	33134	31806	26094	45181	63097	15053	9114	4212	2765	5814	5344	8736	8228	11946	6695	13685	6985	37233	4120	12080	12152	13859	32582	40497	11982	464	0	0	54109	89415	0	13750	6143	19561	23419	13922	0	34533	22575	14567	8327	12510	9978	14330	34228	55881	29823	10869	26991	12346	12927	6904	6831	12071	8580	5675	5313	11473	2236	0	8710	13797	34089	10751	60238	3778	13063	24576	12084	12604	11839	11816	0	7140	18719	34071	49273	39626	0	24169	22357	15693	23239	24547	13607	8426	6597	53880	13265	17941	0	10203	47457	Phytochemical	0.55	1.0	0.1
12	C20 H20 O11 N2	465.11398	465.1147	-0.023991521	465.11398	35988	33758	34974	28751	34026	18574	15073	19182	40910	46872	33951	19109	60982	8508	17094	19054	23177	44460	44377	44780	73205	87578	21766	24163	7108	5353	10576	0	13637	9311	16263	13476	22852	12034	85818	12882	23379	19629	28202	51871	107026	18326	636	0	0	72659	169599	0	15593	12113	35445	29789	23711	0	56499	25627	14709	16543	17147	31049	19301	57276	80308	49339	16410	45515	18966	30344	0	10971	25748	13017	14580	10830	15932	12343	0	16406	24743	41485	18401	64554	10437	19278	37795	16480	19205	19842	15913	36830	7117	31565	40981	74489	41298	0	38320	31876	33800	35040	27054	17414	16826	14466	92722	30063	26496	0	13349	76637	Phytochemical	0.55	1.0	0.1
20	C20 H20 O11 N2	465.11398	465.11465	0.12801233	465.11404	3140	4367	4190	1867	4397	2432	1412	2885	10899	4974	0	2215	10545	4463	3485	0	3833	11925	5041	0	7716	12980	4273	4346	0	2664	1442	0	2052	1518	1734	1520	3569	1457	5598	1710	2939	1970	1780	5441	10309	0	0	0	0	14052	28143	0	0	1974	3717	2690	5396	0	7487	3581	3543	2486	1024	2224	2018	4277	11103	6398	3237	3410	3713	1738	3402	0	3269	3471	1650	0	0	0	0	2506	3640	8414	2529	14462	1500	0	4022	3610	2661	2526	2261	0	2309	0	4063	10310	8820	0	3330	1759	2366	3156	5042	0	2581	3748	20010	2933	3212	0	1679	13679	Phytochemical	0.55	1.0	0.1
8	C20 H20 O11 N2	465.11398	465.11475	-0.025433583	465.11398	14868	18720	12921	13305	12834	6192	3216	5332	21479	24138	18189	8348	29906	4794	3736	6807	12590	19009	18879	14469	35677	29589	10582	8975	1351	1450	4838	4275	2824	4748	5402	7152	10896	6137	33152	5152	10033	4863	10289	16088	40752	7976	0	0	0	29711	66078	0	7656	4914	10901	15011	11400	0	19886	15889	9055	7435	7502	11578	5352	15349	41715	25869	9122	19972	8728	13611	6258	4138	12400	6989	4911	3836	8777	3595	0	6591	8974	13059	8798	19881	3560	5491	19729	4802	7140	12962	8739	16392	0	6297	10857	31048	21375	0	16166	13700	16469	20757	18889	10994	7453	8577	34295	9149	13874	0	3331	32355	Phytochemical	0.55	1.0	0.1
18	C20 H20 O11 N2	465.11398	465.11462	0.052268762	465.114	7843	11460	10148	13919	10801	6429	4291	3306	17174	15434	5544	5091	33129	5025	7625	4083	4225	16366	18216	11792	19133	29023	8422	6076	4036	2725	2185	3665	2972	2003	5550	2969	6155	5063	17277	3153	5244	6030	7643	14702	17527	4584	601	0	0	31509	47068	0	3999	3783	9106	11318	6258	0	25465	11341	5691	5355	3186	5975	3732	19574	21353	16320	4873	17698	7801	3029	2390	4738	6495	3789	2521	1646	6507	4959	0	4067	7563	13660	9417	28686	3505	4475	20025	7209	7585	5145	7996	5910	4494	9603	8801	24076	26900	0	8681	12230	8348	12470	13787	3721	6927	5506	29947	8600	8592	0	2837	24020	Phytochemical	0.55	1.0	0.1
6	C20 H20 O11 N2	465.11398	465.11478	-0.06153485	465.11395	4181	4838	2981	3893	6238	1558	0	1529	10008	5813	5171	2960	11673	829	1071	1517	2079	7049	7950	3199	10332	12580	1508	2263	735	526	1358	0	1227	1382	1720	1573	3973	1713	12828	1073	2697	1311	2664	6081	11453	2810	0	0	0	5882	13330	0	1839	2337	3738	6169	3740	0	9316	6625	2789	2917	1599	3394	1623	4822	20339	7545	2293	8180	3835	5412	0	1759	3739	1591	1512	586	0	1701	0	1601	3043	0	1672	4733	739	0	8895	4133	2357	4772	3870	5581	0	1675	2033	8243	4551	0	5350	4002	5840	9365	7432	3611	2085	2834	10947	2467	5394	0	970	15228	Phytochemical	0.55	1.0	0.1
14	C20 H20 O11 N2	465.11398	465.11465	-0.011449813	465.11398	27005	33219	27528	32847	31778	17337	9349	18251	34262	53717	29747	17007	63577	10902	16213	16034	13374	44968	35453	33138	52454	82122	23136	18063	7761	4372	11893	0	14079	12280	12423	9858	22883	11494	72903	10329	25948	16114	16256	48776	76318	15553	0	0	0	72581	159830	0	14542	11951	28751	32370	24005	0	47549	29351	14185	25294	21648	20219	0	58058	74833	45120	16092	37143	17211	21082	14843	13909	29560	14095	9684	9926	14014	9956	0	15144	24203	45123	17361	63629	10112	15940	35698	22118	21553	21568	24525	30304	9716	21824	34799	74826	55598	0	37875	32012	23820	39569	31145	20903	12678	13824	109076	26539	24331	0	9228	58566	Phytochemical	0.55	1.0	0.1
10	C20 H20 O11 N2	465.11398	465.1147	-0.032198943	465.11398	25000	25779	25550	24881	27793	11073	8165	15343	34257	41776	37186	16616	44644	6129	12744	17010	15419	30167	33172	30516	62335	66899	19202	17405	4780	1743	8456	8279	11469	12166	11138	13398	17628	9803	56109	8917	17969	13222	20394	37208	70312	12661	0	0	0	58020	134440	0	12078	9855	29063	29727	21294	0	39828	29385	11563	16361	12506	24905	11778	39132	65182	36613	16626	30928	18233	22547	16898	9665	21139	12583	11696	10605	12877	9303	0	10584	19748	34936	15497	50351	5957	10160	32377	10658	15801	19328	14952	26252	4376	15924	29671	60423	43680	0	29001	24681	23239	33362	32081	24532	14901	17066	73779	18274	19006	0	9629	60749	Phytochemical	0.55	1.0	0.1
20	C25 H20 O9	465.118	465.11856	-0.02025184	465.118	26965	23269	24408	17308	27163	10972	3299	4278	26656	84818	60563	2824	21953	16283	6274	5781	2403	20942	32184	46380	52727	40002	6822	3435	5481	102023	6262	46942	1998	0	1770	2791	8141	4501	105296	2949	4811	6895	4400	37607	30776	8796	431	0	0	29092	40820	0	1596	2197	22310	23401	12732	0	22875	12815	11783	5872	4676	5869	5007	23065	28934	17396	9355	22089	9874	0	77103	106075	135854	1738	3032	0	2987	3459	0	4423	16736	38667	13240	22981	4985	35812	32713	17349	20249	7735	8494	8630	8897	18724	14601	43797	49938	0	22373	22802	28084	24225	19456	5449	3976	4797	26144	6647	18621	0	8712	27986	Phytochemical	0.36	0.8	0.0
22	C25 H20 O9	465.118	465.11856	-0.05374355	465.11798	17600	20698	15640	16434	22373	8345	3430	3643	28462	78154	59268	3260	25721	13817	5445	4806	4137	25912	23379	49276	52178	37417	9659	6804	4077	81637	6363	35641	2813	1337	2014	0	4671	1799	85071	2220	2973	5680	3277	26755	34931	5866	0	0	0	23577	38440	0	3397	2024	19235	20138	11919	0	16461	16084	11762	2412	3996	6014	4890	22664	34556	18823	11854	14918	8891	2616	75597	91890	110976	4191	1255	1261	2062	1374	0	4044	15120	36999	10806	25676	5861	25901	34086	14473	12806	9271	11966	8182	10480	15754	8099	46492	53946	0	19128	14688	25280	21757	16653	5744	5549	7328	22055	5637	21915	0	5201	24750	Phytochemical	0.36	0.8	0.0
28	C25 H20 O9	465.118	465.11844	-0.12817551	465.11795	3438	3875	1782	1925	4601	0	1329	0	4467	9068	4665	0	3816	1409	0	0	0	2713	4284	4593	3662	5180	2190	0	0	10196	1036	4596	0	0	1038	0	0	0	11888	0	0	1633	0	2389	5708	0	0	0	0	2983	4785	0	0	0	3390	1887	1842	0	5515	4108	2181	0	0	1116	0	1697	6608	3788	1136	2392	1335	996	13578	11104	22394	0	0	0	0	0	0	0	4330	8345	2707	2720	1701	3491	7277	2288	3577	2036	1281	1138	906	1799	0	9983	7643	0	2240	3649	4726	4929	4107	0	0	0	0	1379	6598	0	2785	4103	Phytochemical	0.36	0.8	0.0
16	C25 H20 O9	465.118	465.11862	-0.003939019	465.118	4276	5646	9336	6900	5791	3637	1900	0	7955	33986	22282	1231	8284	3516	3022	1741	2299	8265	8559	13448	15742	11598	2151	2761	2045	33990	1520	15325	0	0	2038	0	3878	1555	34099	0	3390	2473	2695	9520	7316	2751	0	0	0	8101	7255	0	2087	2710	6409	5071	8223	0	7327	6777	2872	2724	2720	0	0	3787	12300	3849	2697	5778	3043	2823	22779	36809	47894	2482	1669	1382	0	1933	0	1540	4627	8005	3762	9156	2274	7270	6742	2705	6446	1195	3251	0	5235	4481	0	13836	16748	0	4961	7664	6736	6407	4387	2507	3424	0	4845	0	4919	0	2035	7163	Phytochemical	0.36	0.8	0.0
26	C25 H20 O9	465.118	465.1185	-0.12717038	465.11795	5358	5028	4628	5716	5655	2818	0	0	8128	20543	10870	0	10942	3553	0	0	0	9165	11702	14418	9399	14039	0	0	0	18662	0	4953	0	0	0	0	0	0	22479	0	1713	0	0	8463	11267	0	0	0	0	0	11269	0	0	0	4713	6193	4850	0	6743	0	2921	0	0	0	0	4013	10954	2783	0	6497	2448	0	22231	20157	39014	0	0	0	0	0	0	0	5861	14381	5695	6052	0	4950	11276	6562	4028	3006	4166	2416	0	2329	0	14320	16448	0	4115	5690	6718	11042	6019	0	0	0	0	0	5916	0	0	7327	Phytochemical	0.36	0.8	0.0
18	C25 H20 O9	465.118	465.11865	-0.01940246	465.118	15747	17309	10506	8653	12996	6627	1757	2470	15766	61569	50135	2565	11341	11496	4851	2693	2869	11365	14697	41850	37118	24689	6543	4358	6820	75196	1156	22525	3523	1736	0	2673	2845	0	83226	0	4808	5179	2878	24433	19120	6065	0	0	0	16267	19203	0	2383	0	13744	12730	11710	0	14332	12201	5164	4718	3467	4250	4181	11439	23334	10130	7844	13792	9067	1797	61072	71339	97940	1618	2876	0	2662	0	0	3225	13913	19480	4474	17413	4595	17979	25638	9899	9190	5410	6581	5535	8086	5824	7686	29280	30628	0	14885	12077	17457	16499	8568	1754	0	2714	14692	3429	10055	0	4680	16809	Phytochemical	0.36	0.8	0.0
24	C25 H20 O9	465.118	465.1185	-0.13564062	465.11795	10984	13155	9766	9084	13170	4896	2099	0	14436	35013	26158	2150	16705	8159	3691	2032	1989	10387	14818	20634	21109	23486	3880	4160	3073	49225	1466	15488	1321	0	0	0	2771	1011	50243	0	1279	2426	1589	11548	21411	3245	0	0	0	22586	21603	0	0	0	10588	9122	5591	0	11435	9466	3434	3316	1199	2936	1643	8766	20696	11691	6476	12222	5851	1437	46965	47348	68158	0	1398	0	0	0	0	1294	12059	21520	8735	15143	2381	11882	20007	7561	7310	6656	5756	5721	2240	5060	3700	27302	30725	0	8236	6215	15678	12390	11778	2404	2253	2310	13994	2703	11933	0	2394	12674	Phytochemical	0.36	0.8	0.0
20	C22 H24 O9 S1	465.12137	465.12204	0.2542924	465.1215	14277	13879	18110	27696	24986	24802	2650	2380	14856	71006	50922	1670	36156	5614	2904	4036	1743	19237	43992	42737	41162	55183	4717	6418	3915	29422	0	23220	2296	2427	1444	1453	17236	2292	173480	2088	4451	3488	3556	84550	53614	12350	0	0	0	58214	62160	0	4931	3528	22988	32840	11844	0	15367	13563	8702	3508	8581	5668	2871	73630	35562	12873	4254	11486	11300	2337	42944	97806	65022	1405	0	2059	2638	2709	0	3780	6607	48710	3569	44364	13152	31792	16798	12992	4941	6176	14758	5551	42608	67564	12347	79538	103924	0	19698	25368	11080	8129	16972	3733	1541	9110	23833	3840	12635	0	4591	21840	Organosulfur	0.4090909	1.0909091	0.0
20	C22 H24 O11	465.13913	465.1397	-0.042571127	465.13913	152296	149942	149432	134961	157397	131868	56532	98426	195341	344625	108573	62520	257678	82269	112398	85680	38819	199865	192243	260896	255672	209938	106177	95521	82141	125999	55248	74792	73433	69077	93448	87737	111581	75126	363674	73298	125182	81941	51866	213079	117723	57966	6400	895	642	304638	250132	1712	98295	83408	136442	144848	112294	892	185847	124448	78173	88886	103721	52065	82974	139228	236599	161509	74132	162107	101547	51887	121036	238559	178855	101742	93616	86195	48931	83035	718	82699	125071	97331	92503	200928	70684	142096	152075	92172	92065	65275	83654	47161	94952	114722	110032	130286	168663	1329	151058	134860	141054	119090	119281	82292	63874	108151	212537	84135	119482	0	74062	272466	Phytochemical	0.5	1.0909091	0.0
26	C22 H24 O11	465.13913	465.13968	0.08441595	465.1392	10128	9036	8547	9743	9095	8417	0	0	14655	29348	4757	3082	28184	4633	0	5549	0	15650	13183	21267	22523	12460	8587	0	0	8752	2284	5248	0	0	0	0	3263	3052	27396	0	4223	3678	2963	12948	8522	0	0	0	0	19368	20483	0	4429	0	9300	7637	7488	0	17424	9130	5212	5412	3206	0	0	7950	18692	11565	3689	12014	3491	0	0	21034	10920	3984	3252	0	0	3868	0	2891	9388	0	8055	11233	4035	7628	11047	0	4427	3146	4580	0	6366	6458	0	7177	16214	0	10414	11033	7774	7644	6452	0	2690	5490	12841	3928	9636	0	3704	25246	Phytochemical	0.5	1.0909091	0.0
14	C22 H24 O11	465.13913	465.1398	-0.027113147	465.13913	666272	647060	627100	644136	492822	203816	178480	256730	623738	1723206	800832	164807	633502	132923	200131	225491	159898	635656	632396	1301280	1195162	530213	469348	250263	153744	299588	158854	324032	210639	211703	233721	268155	527620	204168	2081644	216802	493324	200102	174849	890538	417850	137674	8015	600	265	1188232	1340942	623	263440	425422	624420	306624	411374	811	654824	350506	266718	264781	302564	204366	321498	666578	722388	553192	266262	587698	329952	338478	362603	912252	905024	453004	436254	216098	151610	221272	339	196103	246712	309256	466992	962168	174221	570336	492790	162358	389464	143997	368662	206431	220150	234384	529996	767212	851328	1669	705796	292616	531288	427000	390310	225552	182758	302513	532085	411844	416928	731	154679	650984	Phytochemical	0.5	1.0909091	0.0
10	C22 H24 O11	465.13913	465.1398	-0.04174936	465.13913	169411	308598	151898	137201	213778	78648	96733	248814	137249	670188	439370	99957	265183	65517	92149	123974	101793	242843	152688	543658	548379	218147	198681	143220	53911	143450	102674	122554	104002	107757	110761	127838	130118	96462	776012	114089	123037	97254	131481	223052	470499	72638	3306	0	0	248619	629438	0	126892	113270	179016	337008	164465	0	141555	100183	68893	114789	113607	132059	132316	144212	159166	234280	64609	107800	78045	138887	185218	207218	505220	118187	120212	108084	127114	121735	0	89832	307265	102140	122329	352289	99816	110396	254919	67108	124520	67230	79754	215255	87536	118025	140441	334796	406341	0	284241	158658	130984	218301	198793	102674	88371	135002	195952	111973	109099	0	82616	301297	Phytochemical	0.5	1.0909091	0.0
22	C22 H24 O11	465.13913	465.1397	-0.037585735	465.13913	57080	58870	49014	58708	63364	58046	16393	38367	76948	140908	42376	25627	99418	31734	42841	28473	17225	91363	66902	95705	94157	84306	45856	36341	38707	48757	19170	34539	31392	32856	37054	27208	35430	28005	122139	28815	41778	37727	14854	67461	51330	25321	2504	0	718	123530	121250	0	34869	27981	61739	55479	46690	823	96749	54154	30633	31332	34837	17940	31049	66855	94853	75838	22740	79297	36169	16021	50858	92940	80281	36367	29562	26750	18236	30271	1193	30435	46853	39823	47628	104530	20220	45870	78692	41307	37066	20095	32607	16743	52332	61791	44185	63922	85284	0	57843	51041	58787	59660	50770	28640	28544	35546	96552	33611	53144	0	30572	121599	Phytochemical	0.5	1.0909091	0.0
18	C22 H24 O11	465.13913	465.1397	-0.048240833	465.13913	286309	271627	260717	257975	276610	226815	120585	204193	299259	696918	264199	128542	435802	144643	191765	171141	88701	371628	358280	540784	447518	395639	205306	206334	156765	231772	108480	183460	201928	156382	195268	198117	218170	182897	800864	163171	224632	170904	115729	774342	239102	121028	8102	1458	827	1123932	881970	1206	198062	169770	271766	269204	205766	947	381537	215421	132833	198267	207684	89847	185368	578748	428979	271760	126767	291825	164124	111774	221011	425470	330086	213677	165357	178890	101424	171207	601	157410	193093	176485	173331	436067	135864	234551	250180	159525	169865	119087	161085	104156	188418	246428	211173	251820	345458	1755	265013	254209	275901	192919	176243	158473	120912	206130	336530	173732	189813	898	135981	406416	Phytochemical	0.5	1.0909091	0.0
20	C21 H24 O10 N2	465.15036	465.151	0.054046575	465.1504	10339	12157	16323	10249	11924	11595	7699	11517	11586	27260	7838	9138	18522	6685	10977	11291	7001	11483	11000	17016	11645	22996	11881	11597	10001	6131	7450	6068	11428	6694	7553	10369	16342	9531	29404	7180	12773	8096	9985	22621	17176	7810	463	0	0	21799	20604	0	8124	9360	14949	8891	12384	0	17679	7573	7060	9980	10549	6762	7322	14196	12566	10288	6211	10492	11102	6787	5027	6383	9390	12731	7030	8470	8673	7912	0	10124	15799	9000	8506	13691	6928	0	9091	6840	11299	9459	9776	8567	10851	15710	25198	12617	16222	0	15138	9535	7585	4560	8999	9328	6945	14009	10793	15604	7352	0	10327	19302	Phytochemical	0.47619048	1.1428572	0.0952381
18	C21 H24 O10 N2	465.15036	465.15097	-0.07337672	465.15033	37888	39930	40557	37383	25411	26011	29038	33768	36711	66352	25128	25672	56213	14210	34245	34221	23438	37119	43447	47495	53895	65889	38027	43541	27476	12060	23585	24283	33265	28344	30842	29543	46949	29226	83507	31130	50597	31195	24519	56871	36690	21020	899	0	0	56007	50542	0	36796	26649	39565	34226	20831	284	55218	22386	21420	35965	33479	16743	37142	39978	46979	34648	13724	29351	30612	25514	8936	22421	16423	38007	29827	30429	25980	35765	0	25425	38331	25986	30412	43602	31057	29116	24412	25843	35515	26054	26460	32457	34909	52348	66723	29785	49316	0	40093	37626	20384	24380	20309	35137	20809	42982	44896	37002	24080	0	28082	61160	Phytochemical	0.47619048	1.1428572	0.0952381
8	C21 H24 O10 N2	465.15036	465.1511	-0.07386133	465.15033	83703	77602	57405	75264	33410	27149	29953	65707	47144	114962	74396	47976	64400	16972	39784	63347	58262	48372	63116	97005	130488	137223	46868	74244	22568	17052	33534	32368	51111	49341	47532	58661	67975	49009	157965	52260	58577	36156	68749	103457	136242	31891	452	0	0	111459	157264	0	59367	56447	67762	68704	34914	0	66252	36375	24828	53134	55725	67831	66714	77113	83424	53893	31057	57995	38691	67147	32416	40690	61460	63114	55430	45379	44877	49503	0	38826	51918	51060	43279	68689	38307	47733	41905	23996	42361	36502	38060	83679	40068	71931	85327	87205	98072	0	69783	73430	40198	46435	52085	61820	38186	90895	77790	56136	36476	0	35403	68869	Phytochemical	0.47619048	1.1428572	0.0952381
20	C26 H24 O8	465.1544	465.15494	-0.07026821	465.15436	40220	39473	33283	30960	33598	15409	8666	9171	38568	102531	92626	9205	31035	30363	12287	12187	7949	33223	41226	82685	84338	42585	15717	20863	12345	200177	9568	74509	11928	9819	11720	12948	22581	14833	122745	8215	14634	11921	9416	66149	65353	12018	0	0	0	44792	52349	0	12260	9472	33278	36084	21558	0	33162	28800	17602	18672	14394	13136	15922	43232	39609	27168	19659	39430	21302	11761	164963	180600	247210	11634	5234	6047	10939	10903	0	8497	32033	41551	20402	31324	13604	52659	39414	21605	29095	16280	18906	13068	23083	26273	24053	50911	55367	0	36751	32806	38097	43478	44038	14545	11880	18273	34255	14393	37264	0	17863	38421	Phytochemical	0.30769232	0.9230769	0.0
16	C26 H24 O8	465.1544	465.155	-0.08160555	465.15436	7128	7300	10433	8514	8559	3331	7292	6123	8816	19908	17522	3360	7484	3500	6070	8114	4862	2677	8166	20322	16743	7569	5312	7087	4781	40145	4963	18215	3215	3706	5558	0	8735	2895	20417	2565	3359	5490	4421	10077	13144	4151	0	0	0	9311	14343	0	3419	3029	9580	9360	4725	0	2945	5819	5737	9907	2004	3960	7283	7261	4641	4217	5464	10047	6395	6518	30913	39602	50745	4464	3927	2313	5769	6955	0	2617	10279	7442	5929	9558	4468	8182	9597	4791	8869	3474	4233	0	7985	6625	0	7533	12389	0	8123	7256	9175	9796	8029	4923	2851	3407	4707	0	6491	0	6448	8777	Phytochemical	0.30769232	0.9230769	0.0
28	C26 H24 O8	465.1544	465.15482	-0.08161155	465.15436	3992	4560	2495	2949	4887	2285	907	0	4138	10428	8645	0	8508	3870	0	0	0	4913	7233	5855	8999	6309	0	0	0	15199	0	6815	0	0	0	0	1592	0	10199	0	988	1138	1526	2747	8514	0	0	0	0	3573	6277	0	945	0	4120	3187	3797	0	4638	3445	1457	1797	1484	1697	2129	3623	4223	2977	1320	5162	3255	0	23309	19159	33752	1187	0	0	0	0	0	0	4533	8529	2386	5409	1680	4690	7782	2237	4151	1052	1514	1448	1018	2064	0	5987	5498	0	3654	3894	4671	8066	6000	0	0	3114	2279	1218	2610	0	1841	5767	Phytochemical	0.30769232	0.9230769	0.0
26	C26 H24 O8	465.1544	465.1549	-0.103199586	465.15436	7031	10027	8056	6278	10280	3638	0	0	15110	20787	23721	0	14998	7143	0	0	0	10892	10854	18904	21889	11893	0	0	0	48105	0	16043	0	0	0	0	0	0	29546	0	4084	0	3634	14653	24902	0	0	0	0	10726	21014	0	0	0	7352	7160	5717	0	8242	11629	3746	2819	2790	0	0	7908	16653	7965	2829	9411	5721	2662	61542	48592	72156	0	0	0	0	0	0	0	9346	14421	7380	8970	2506	12109	18566	11187	5968	4108	4011	5563	2181	3716	0	12358	12120	0	11973	9016	11686	15687	10419	0	0	0	8442	4380	11266	0	0	11051	Phytochemical	0.30769232	0.9230769	0.0
24	C26 H24 O8	465.1544	465.15488	-0.11323374	465.15433	17795	21824	17796	22401	26041	11750	3995	5720	26188	57025	65694	4987	26929	15865	5137	11035	4865	24454	29033	48390	45123	25426	8146	7488	6715	124249	5230	50634	3251	3170	5240	4504	8410	4441	71864	2772	5220	4720	4211	42318	44731	5081	0	0	0	29934	32328	0	4395	2464	24236	22302	17748	0	18924	23520	10113	4533	8398	7028	5200	32843	33621	15959	8797	31621	17730	5220	126612	111003	154635	3380	1401	0	0	3175	0	5184	17758	26359	16036	25927	5669	30863	42108	20158	17079	8064	11281	10611	7794	11228	8085	33804	38105	0	17531	23940	29261	31049	24237	5505	3781	6462	19748	7221	24642	0	8624	24993	Phytochemical	0.30769232	0.9230769	0.0
24	C23 H28 O8 S1	465.15778	465.1584	0.19954877	465.15787	24198	10163	22144	11044	6988	13306	3125	4127	6411	32749	12686	1819	14006	4385	4671	4604	3440	18426	13702	34791	34411	42844	5268	5939	6774	40366	1370	13077	2823	2161	3587	3055	12542	3348	45634	2680	9467	2384	5835	53700	35888	5105	0	0	0	31328	25624	0	2630	0	25246	18224	14784	0	19480	5675	3603	11930	15682	6087	13990	18602	8921	13548	2155	24956	4509	2552	18916	77642	33090	0	3554	1331	2662	2698	0	2610	3803	27400	8346	11081	8729	20981	17228	4906	4735	10600	9440	7221	20705	22737	10593	18727	28750	0	19936	24728	7817	7909	9947	6333	1473	6352	11694	5515	4249	0	8446	14953	Organosulfur	0.3478261	1.2173913	0.0
10	C20 H24 O9 N4	465.1616	465.16235	-0.011216588	465.1616	7031	7612	6188	6750	3935	2798	7452	10132	3879	4852	2194	5838	4499	0	8512	14247	10601	8017	7339	0	5196	9561	10268	13011	9307	0	6131	0	7182	7555	7648	10819	13089	8409	7975	7693	12626	8097	8576	7928	5942	3499	0	0	0	5501	3637	0	9601	8000	9239	6651	5141	0	7007	3194	3356	11132	10755	7514	11464	3976	4976	4971	2905	7422	3706	9766	0	0	0	7237	8605	9817	5606	9512	0	7479	7284	0	6788	3620	4895	2679	2738	2254	7651	5024	3588	15428	5965	9164	22837	6008	4255	0	11319	6202	3504	3741	2132	9152	7418	10941	0	11543	3120	0	10377	9063	Peptide	0.45	1.2	0.2
8	C20 H24 O9 N4	465.1616	465.16235	-0.037774768	465.1616	9748	10778	8067	9547	5559	3568	6833	9186	5783	4530	3059	7555	6639	0	9970	13316	9830	7750	8189	6322	7330	18024	8902	14648	7043	0	5565	5078	8747	8469	7803	8294	10856	5229	12292	10033	12639	8086	11523	10988	9458	4683	0	0	0	8326	7775	0	12235	7991	10539	10675	5191	0	9132	2159	2773	13076	9558	8646	11685	5425	4698	6891	3664	8084	6549	13474	0	3372	0	8548	7216	8344	9150	7738	0	7626	8960	0	6250	5123	6924	4326	4947	4134	9736	8199	6352	18892	0	12769	22399	6477	5718	0	11049	7584	4560	2779	4223	10757	7103	11276	0	10545	4244	0	7765	7935	Peptide	0.45	1.2	0.2
24	C27 H28 O5 S1	465.17303	465.17358	-0.09032197	465.17297	63480	62080	56764	65702	62770	57317	19658	50969	70754	149418	41174	28312	104734	31788	46922	47640	18065	86358	98243	97496	110729	62742	52861	54122	36493	56878	15949	34229	41514	36518	43266	43751	45133	42078	145987	39249	58549	34084	26718	69570	46130	23679	2029	0	0	77794	60714	0	42707	38637	59333	59163	41471	0	82657	48691	27936	42775	37938	14622	44161	55019	89572	65693	21922	71480	32141	25678	60333	127201	87894	47808	43145	40275	24187	33363	0	42302	56111	24072	48513	47985	25221	44443	69492	37824	49998	28357	35159	19003	41632	52128	62361	36631	49733	0	53092	52160	47386	42757	47412	45976	28986	42464	48145	38027	41277	0	30620	100240	Organosulfur	0.18518518	1.037037	0.0
22	C23 H28 O10	465.17554	465.17606	-0.08066423	465.17548	190246	189679	176525	174856	159778	156337	79616	178568	210264	458280	144119	95930	242499	97171	145084	138639	66201	274199	219829	364608	326279	202053	160532	174268	148368	180148	70760	129864	153491	129710	156329	152933	169873	143833	456426	144961	196705	125121	75551	228071	131085	90969	6116	0	1198	246880	166847	0	147832	138374	195569	182006	137639	1017	235463	145574	92083	146273	155937	61243	129573	154153	255214	188050	72390	193153	120122	70321	170865	395320	236951	169182	133552	139856	66571	132206	936	125921	172544	72741	145623	150631	95912	131907	176292	113486	142015	80993	108533	94045	141755	175025	202649	104541	185534	0	187345	180421	134863	142735	124553	138836	114047	146946	161160	137693	132791	0	103606	314000	Phytochemical	0.4347826	1.2173913	0.0
8	C23 H28 O10	465.17554	465.17624	-0.0709373	465.17548	69375	102346	80468	94163	32589	26472	63925	116513	32915	110482	44414	68414	43152	8262	72091	100707	87629	33692	89146	133072	120855	128040	57150	106935	42420	57342	65058	14952	93678	106029	83537	105671	105758	77991	109484	96036	111211	60283	112543	107581	126788	26903	0	0	546	82174	89753	0	115778	112622	94329	95068	41220	0	65373	36414	32516	102216	62896	102922	95592	87562	53995	46116	8610	43433	48195	125900	27852	80122	64531	94408	106226	93992	60743	116268	0	64761	111802	32293	73181	77351	89855	51932	41552	11484	91828	32296	41362	113016	0	74546	133815	68930	76260	0	110819	83826	28153	49152	15044	67111	61295	131848	16613	77545	12542	0	75716	40131	Phytochemical	0.4347826	1.2173913	0.0
26	C23 H28 O10	465.17554	465.17612	-0.021125665	465.1755	20121	19033	19519	20191	20331	15487	6228	15141	31047	55208	14746	8857	39407	11347	16683	14557	8000	39590	31724	47875	48902	22100	21158	20623	13085	25384	5775	12111	14448	11819	14192	12024	16387	15666	46969	13333	18705	11577	9417	27230	15085	8234	0	0	0	26277	23314	0	17470	15101	21359	19312	16595	0	29107	21586	9242	18413	17084	6292	17247	16860	36224	23619	8480	26410	13626	8105	22640	53359	37108	18109	13230	11598	11386	13150	0	12799	21216	10588	17582	18740	14935	14237	24239	13068	18510	9632	10838	5406	16222	19027	25386	10007	22521	0	21273	21212	16872	20147	13670	10457	12562	17988	16293	14747	14324	0	13124	39831	Phytochemical	0.4347826	1.2173913	0.0
20	C23 H28 O10	465.17554	465.1761	-0.045501325	465.1755	487917	500569	510245	431503	414094	400012	226776	482598	551543	1245509	413809	234456	652662	259227	436632	351341	162125	626399	593358	1078776	948033	561382	400356	469438	405139	551697	191297	355639	455880	377905	432981	414635	455887	390380	1337494	391060	542350	342080	201024	727170	310498	240839	11023	2668	1265	670603	389312	1845	414566	370978	499183	516254	330842	2410	659064	351685	211693	399649	460032	166898	401730	440048	617859	477650	180763	450311	289116	205842	444925	1070272	615657	459806	402630	448262	225833	380101	1117	354258	391793	230463	350107	391317	280056	409266	356414	261404	318007	215324	285733	220492	416323	493512	513984	284444	403427	4502	521803	486754	363721	289268	281504	390653	283565	469966	398033	386716	298097	2934	290760	732982	Phytochemical	0.4347826	1.2173913	0.0
10	C23 H28 O10	465.17554	465.17636	-0.104583524	465.17548	273243	141887	150192	237648	107980	64597	214548	177282	86430	205464	127894	205031	105141	36688	105754	330404	237668	146957	174870	362007	265190	297040	209996	196027	90677	139658	221178	109775	250541	268179	145810	188562	162244	140473	239141	264883	285004	105800	269208	184304	284406	101556	2588	0	0	332624	302816	0	303113	132198	289749	188451	74440	0	99586	65030	96308	193410	166856	148079	116452	131134	95443	144398	87195	129794	109155	287239	113154	157506	192304	152301	218404	160104	235826	158082	0	184984	166260	89498	235899	120159	135367	115096	84530	107871	234715	62184	82135	176251	138222	155877	299013	164558	222643	0	266523	235751	84580	122782	117017	238705	116069	203226	159151	249733	76683	0	201306	138491	Phytochemical	0.4347826	1.2173913	0.0
28	C23 H28 O10	465.17554	465.1761	-0.06380807	465.1755	10723	9240	9358	8531	8444	9798	4820	11138	9311	28643	7365	3024	18912	4671	7496	9734	4018	14011	12205	28377	22150	10171	10500	11516	5224	12761	3871	8664	8687	5978	7525	6825	9343	7592	29180	7049	9018	5201	4514	12252	7103	5329	0	0	0	10611	8573	0	7831	8658	9383	8679	7822	0	12864	7858	5326	8828	5177	3911	10550	7252	17288	11906	3304	15494	7430	3739	14229	28947	20431	7465	6311	6352	4073	6796	0	5856	8006	4823	7649	6787	5913	8451	9245	6008	10393	4828	4092	3156	7868	10740	10994	5652	11853	0	10733	9375	7630	6751	9901	6308	5177	9147	6780	8185	4844	0	4470	14826	Phytochemical	0.4347826	1.2173913	0.0
20	C22 H28 O9 N2	465.18677	465.1873	-0.004352181	465.18677	17288	19561	16178	10662	6973	13209	9563	22963	13522	18315	8474	8338	9748	7467	16824	17121	6199	16454	14249	16465	18349	22524	18378	18069	22429	5189	9049	8467	27439	13253	17601	17843	26614	20048	19513	15532	30654	13851	10573	20032	9561	7093	0	0	0	17703	9699	0	19469	12165	14176	14179	11774	244	12751	7594	7222	21796	20274	5390	20815	14868	10158	10342	5161	11121	9710	10296	4769	8294	14727	19239	19966	17341	11108	15781	0	11504	14142	9224	11215	8513	18172	9759	8639	6506	12997	14760	9014	16761	22908	35130	43558	10563	11755	0	11814	18508	8126	11637	7873	18134	12132	20344	9053	21634	5122	0	11409	17723	Phytochemical	0.4090909	1.2727273	0.09090909
20	C27 H28 O7	465.19077	465.1913	-0.09698241	465.19073	50675	63779	52222	51809	50673	30774	30222	36837	46600	92063	78550	29728	57482	39608	35044	49103	32894	38052	48729	106888	97924	51995	36290	46095	30944	219783	22122	71033	31311	35549	31925	29997	41714	23495	97804	33110	39442	30049	44176	75538	89414	30403	537	0	0	41756	52285	0	34517	33245	51966	52233	39755	0	49143	43667	28772	42728	29029	30849	46904	52636	52603	42449	30937	48794	36882	36840	166913	215199	288416	30746	24844	29819	32738	37014	0	24089	67474	36454	39313	30744	31905	66933	51635	33851	65764	31220	30985	63971	48801	42875	59738	47116	50308	0	46716	56412	47786	48161	49545	36719	25761	42107	25605	41967	44660	0	39207	50215	Phytochemical	0.25925925	1.037037	0.0
28	C27 H28 O7	465.19077	465.1913	-0.07787088	465.19073	8256	4493	5792	6114	8910	3156	1534	3076	7512	7317	9713	2216	10649	3624	0	2877	3451	5376	8044	9922	8147	3981	4613	2950	2505	28617	0	10988	2236	2422	3021	1438	2946	1923	11776	0	4365	2283	1719	7127	13896	2677	0	0	0	3837	7345	0	2805	0	5195	4782	5619	0	5362	5829	3263	4382	2001	1812	2302	5611	6627	5272	2715	7479	5670	3486	33299	24792	45641	1593	1712	0	0	1288	0	1385	5959	4605	3645	3589	1612	7764	7533	2879	5638	2784	1854	2794	2162	1664	4562	5608	4560	0	5366	4825	4752	10623	10140	2935	0	4526	3161	2835	5038	0	2611	5813	Phytochemical	0.25925925	1.037037	0.0
16	C27 H28 O7	465.19077	465.19138	-0.082534894	465.19073	8330	9055	9756	8437	4766	3531	10692	10079	7488	7456	8861	6653	5073	2815	7722	8801	9847	4588	11963	13056	11341	10620	7578	11473	8471	22602	7493	13663	6989	7576	8182	10343	7620	5507	10704	8844	7655	7157	10086	10305	11451	4779	0	0	0	6919	8425	0	10655	7789	6302	11846	3417	0	5517	4028	4295	11360	5650	8017	9029	6005	5326	5808	4582	7729	6784	11548	18927	18992	37641	6997	5340	5604	9716	11292	0	7627	18510	5242	10349	7037	9026	7978	8038	4778	14260	3712	4783	0	7883	6206	0	6529	6257	0	10605	7848	7077	6694	5467	6252	5502	9491	0	0	7185	0	8542	4753	Phytochemical	0.25925925	1.037037	0.0
10	C27 H28 O7	465.19077	465.192	0.15830187	465.19086	0	1419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1502	0	0	0	0	0	0	0	0	0	0	0	0	721	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7501	0	0	1521	0	0	0	0	0	1963	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	94108	1076	0	0	0	0	Phytochemical	0.25925925	1.037037	0.0
18	C27 H28 O7	465.19077	465.1913	-0.15024371	465.1907	26684	30700	27027	19719	22321	10563	13656	27150	22303	32283	34402	17110	14719	17895	23410	31404	16299	17107	24204	46325	44112	23166	23286	27034	13031	94781	11974	26406	14615	10871	19554	18781	21595	16127	34970	17908	20151	19557	25391	30003	44391	12060	325	0	0	19702	23165	0	24079	19247	29907	27348	19323	0	22395	16396	17759	30737	15000	19621	20088	20444	22135	17156	11398	18736	19339	30274	80106	78101	111742	12566	11266	17705	20616	24720	0	17791	36835	19320	24547	23244	20933	31605	27915	14928	34937	16180	11018	37999	25249	19160	33566	18940	21979	0	31322	24105	24863	21640	22378	21474	16444	18998	16500	22000	20517	0	22964	21837	Phytochemical	0.25925925	1.037037	0.0
26	C27 H28 O7	465.19077	465.1913	-0.103414334	465.19073	20965	20607	20319	16744	23428	9997	4221	8631	26158	36487	53622	5972	32164	15490	7863	15209	0	22127	24209	46492	46744	18179	14469	12005	9397	120775	4662	44682	0	8415	6844	5695	9165	5386	45615	6947	12009	7891	8391	34537	48277	11354	0	0	0	22263	29550	0	8690	6125	22361	19834	18860	0	26120	23620	9513	13353	9126	8473	13253	20600	22121	18450	8086	26015	16701	15717	136286	86913	133797	12161	4700	6638	0	8503	0	6554	18656	21594	16429	19747	9524	31709	32221	13232	21971	12234	11651	13960	8084	12817	18452	22301	20562	0	16523	26073	18029	33232	30275	10664	6254	10359	15545	8775	25292	0	11822	19827	Phytochemical	0.25925925	1.037037	0.0
24	C24 H32 O7 S1	465.19415	465.19464	0.22850524	465.19424	20330	40436	16447	22416	27802	13499	4403	7168	23644	118032	29459	6901	19724	17266	10385	18972	10564	15154	17240	68408	55936	41081	17038	30226	24612	78096	5951	55612	15262	6547	8038	9443	27018	8962	69792	6361	13242	15738	26780	42674	61350	7252	1836	0	0	27949	23513	0	10235	5491	19618	16420	30084	0	27734	20394	5410	9420	26059	26308	20188	35413	19946	11197	6435	15625	11613	10668	27797	65507	37787	9570	8362	5595	9098	6667	0	15052	24722	47058	14788	19111	18631	30064	23268	9317	26156	10187	20410	16581	47809	66373	39278	31200	124100	0	49786	17223	20924	10992	11840	10279	12004	25239	25518	21626	10745	2386	18176	29078	Organosulfur	0.29166666	1.3333334	0.0
2	C21 H28 O8 N4	465.198	465.19882	0.03761326	465.198	2288	2322	2854	2165	1312	0	2365	3397	1568	866	1842	2146	1347	876	2503	504	3959	1816	1898	1326	2386	2893	3944	3055	1505	0	0	5159	2976	1354	2512	2871	5060	2419	2720	2821	2876	3022	4632	1883	2805	0	0	0	0	1477	1459	0	2831	1442	2667	2047	1095	0	2127	946	1144	3650	1744	1628	1062	971	1790	1883	0	2273	1720	6090	0	683	0	2593	1777	2411	0	1858	0	2629	3742	25368	2583	1270	1236	1071	687	1121	3747	2196	2278	8370	7782	4882	5391	4136	291	0	1895	1636	1262	793	763	1967	2024	1772	1498	3733	1239	0	2599	2036	Peptide	0.3809524	1.3333334	0.1904762
6	C21 H28 O8 N4	465.198	465.19873	-0.10475942	465.19794	10274	8668	8375	10315	3141	4121	6013	10629	3907	5414	4200	6349	3191	2320	9690	12823	9304	5246	3989	5613	5512	9968	8071	13535	8705	0	6557	8960	8756	9678	7603	11714	10604	8000	6271	9246	13368	6988	9334	5442	6563	4109	0	0	0	7618	4619	0	13494	9987	10782	9093	2967	0	5490	1137	2267	12219	5588	6279	11677	3823	3316	3910	2233	4203	5747	11300	0	0	3202	7654	7111	6870	5403	7065	0	5676	9175	38058	6171	3329	5507	3345	2542	3210	8139	4988	5907	20122	57797	26751	25886	9047	7648	0	9263	8305	2128	2273	1378	9539	5286	11932	0	12725	1313	0	7649	4801	Peptide	0.3809524	1.3333334	0.1904762
8	C21 H28 O8 N4	465.198	465.19867	-0.0727106	465.19797	11015	10488	8478	12739	4030	4621	7425	14708	2989	4474	2875	7584	3381	0	9768	15230	7793	4391	8700	8260	5035	14243	8513	15443	9286	784	7104	8830	8525	9334	9299	11479	11611	8389	5854	9828	12012	6376	6755	6167	4173	4263	0	0	0	9326	5558	0	12242	7749	12244	8749	3282	0	4077	1563	2597	16150	5615	5040	11161	4440	4018	3848	2326	6100	4687	8800	0	0	0	10762	7308	8173	5375	8356	0	7395	8912	58142	6389	4865	5893	4265	1955	0	11208	6361	4602	20201	57724	25509	24203	10580	7793	0	9912	9365	1780	811	0	10170	6935	12059	0	10678	0	0	9804	4808	Peptide	0.3809524	1.3333334	0.1904762
4	C21 H28 O8 N4	465.198	465.19882	-0.008823544	465.198	5187	4210	3876	4396	886	2020	2309	4349	1659	1787	0	2754	1713	677	3950	4061	4808	2615	2053	1656	2630	5055	3543	6544	3443	0	2326	8193	2028	2147	3633	4331	3577	3577	2275	3449	3931	2502	6320	2312	3080	2201	0	0	0	3073	3272	0	3245	1872	5208	4437	1450	0	3554	949	1084	4665	2945	2589	3283	1501	1926	1140	0	2284	1950	4052	0	0	0	2548	2855	2419	0	1916	0	1782	3534	56216	3167	1454	2496	1298	1154	1676	3784	1648	1391	6201	43021	15440	11281	7679	2883	0	3750	4490	1343	971	1457	3993	2217	4240	0	4687	1384	0	2816	2474	Peptide	0.3809524	1.3333334	0.1904762
10	C21 H28 O8 N4	465.198	465.19867	-8.57636E-4	465.198	7723	6854	8459	5885	2746	3583	10100	9092	2148	0	0	4712	2503	0	8258	10690	6156	5630	6645	5501	5889	8504	7688	10497	10783	0	6680	6735	9535	8702	9393	9481	10598	11127	4045	8927	13672	6493	7715	7727	3475	2989	0	0	0	5165	3233	0	10050	7765	6864	8294	2442	0	5251	0	2297	9326	12344	4347	13635	4047	2378	2692	2858	2851	4396	8672	0	0	0	13598	7973	8627	4240	7009	0	7255	8875	6673	5715	3701	5141	4347	1787	1398	8571	4701	5085	10795	24677	21838	21812	4405	5014	0	6549	7238	1451	1467	0	8988	4103	11734	0	6434	1685	0	7910	2051	Peptide	0.3809524	1.3333334	0.1904762
2	C19 H32 O11 N2	465.2079	465.20898	0.32191113	465.20804	16012	6392	0	10448	6196	0	7392	17636	8552	3388	3636	8500	19168	3032	12264	2380	11728	8528	12244	3304	3260	8468	11108	11256	4472	0	0	180593	13492	10372	18200	16492	25332	18864	5856	16148	22914	10056	12192	0	0	0	0	0	0	5256	0	0	8536	7676	9340	10096	5784	0	8248	5364	4148	9576	2756	1860	3932	968	6216	10968	0	15484	7676	16636	0	1360	0	23636	18360	17216	860	9640	0	13444	8800	501972	7808	0	2620	0	5000	4608	0	9560	8088	20148	84872	32994	16804	23700	0	0	6976	9092	4924	3760	6128	9652	11232	4848	0	14924	4904	0	5772	12476	Lipid	0.57894737	1.6842105	0.10526316
18	C28 H32 O4 S1	465.2094	465.20978	-0.60067576	465.20914	30284	28928	49208	25472	26248	23436	34495	56138	35892	87824	40120	14017	24973	17668	23192	36269	25296	19300	37502	60618	68696	36792	30431	44366	21921	77800	16436	62225	29804	31670	40594	33920	29164	32380	40836	36356	63349	25697	22772	46237	32832	21476	0	0	0	40531	34697	0	42432	32687	35860	32248	15512	0	30640	29684	16539	51924	39085	1004	38969	24796	21568	25584	10788	20216	15778	29498	52080	281712	111540	43436	27276	41285	34308	41296	0	23321	45608	25564	31164	20706	24234	36420	12116	9040	44875	26873	18528	26348	38433	52030	35554	23604	20064	0	23600	22036	13152	25273	19584	39663	36051	31576	26255	33408	18440	0	22842	24072	Organosulfur	0.14285715	1.1428572	0.0
16	C23 H32 O8 N2	465.22314	465.22372	-0.15850045	465.22308	27711	26974	31205	32328	15603	17014	26542	43202	18141	33775	14706	22333	13981	11323	38291	40393	27616	18782	24125	39863	36395	45020	28167	47778	42149	9020	21977	22051	42920	37660	49559	41920	57602	37284	49598	43213	58099	32723	37823	48939	18772	20873	396	0	0	31849	21169	0	44395	36336	29327	37643	17404	0	20525	6771	15703	48098	44416	18697	39385	25228	10313	13522	12963	16450	18546	30042	5982	22504	8707	42265	41975	38033	30331	39282	0	29599	27524	18663	17836	19337	36736	26065	7942	13660	32399	20149	22529	35275	72765	73143	85590	22998	36963	0	30531	33040	10350	6726	7268	48502	22246	43564	20822	45450	9465	0	34016	13189	Lipid	0.3478261	1.3913044	0.08695652
12	C23 H32 O8 N2	465.22314	465.22382	-0.11029884	465.22308	21226	21976	20494	21839	9583	8255	20649	37256	12679	26434	9963	14565	9971	5663	23693	24795	22136	12880	17570	39323	28586	37175	23720	37218	28622	4308	13384	16038	31382	21161	31902	29105	42605	23203	43519	31115	29960	20059	32527	37940	14134	14186	374	0	0	29290	20263	0	33035	27209	27338	18879	13343	0	15799	5822	7097	33033	16151	10134	19040	20102	11570	11132	7922	13880	14514	27464	0	17063	12330	25521	24642	22700	19443	22918	0	19237	20199	0	19399	14439	18455	19854	4627	8499	19519	11401	18818	43699	44082	43081	55070	19605	27171	0	18631	31516	4732	5281	6272	31683	17585	25099	0	26841	6944	0	23228	15140	Lipid	0.3478261	1.3913044	0.08695652
8	C23 H32 O8 N2	465.22314	465.22385	-0.11192509	465.22308	21497	23710	18480	21085	7524	9527	12571	25237	7286	24665	13382	13215	11190	5136	16657	25092	14015	8315	18020	30079	32111	32786	15945	29988	21144	4172	12221	10646	22780	21731	18898	24774	25199	20656	35704	20085	28263	14615	16581	34150	14665	10490	0	0	0	21411	12700	0	24370	14814	20335	21552	10113	0	14573	5904	5940	26891	6110	5982	18564	15428	11564	13331	5054	11239	11701	20051	5753	14056	9696	21280	18647	18356	14887	17495	0	12440	14754	36262	8121	7136	10453	13695	5598	4597	14621	9273	13588	31648	39518	34829	37425	15320	22960	0	23202	19865	4279	6627	5115	24565	12503	27346	0	25877	5567	0	13232	10948	Lipid	0.3478261	1.3913044	0.08695652
14	C23 H32 O8 N2	465.22314	465.2238	-0.15661001	465.22308	28689	30860	27364	27648	11643	13019	29032	37425	12776	27843	15718	18042	8413	11450	30897	35394	27648	12097	19670	46914	37765	53554	26313	43501	39933	8768	21075	15503	34972	31808	28644	36206	40176	26858	45242	37664	45371	22503	34209	34676	21620	18431	0	0	0	33669	25121	0	38816	29985	27909	25871	13081	0	15954	7309	8434	44851	32484	18091	34135	18702	8377	8435	10008	15124	19213	28437	0	23978	14987	30279	31317	37678	29662	30378	0	27853	22060	15062	15675	21330	27926	18876	9148	8514	22616	13856	19650	42074	53472	58076	64250	18531	30620	0	25008	33047	7163	5681	6097	36433	20884	53984	0	31530	7019	0	24344	8263	Lipid	0.3478261	1.3913044	0.08695652
20	C23 H32 O8 N2	465.22314	465.2237	-0.049707823	465.2231	12667	15190	13290	12967	7488	12725	9346	17226	6540	12543	3707	6869	8146	3480	15328	18661	8408	9963	15159	17250	15065	12657	10544	27651	16326	4557	6639	8586	14406	16424	15107	18951	26804	14304	10194	17327	26578	15263	13650	15497	5710	11970	400	0	0	13400	3292	0	20196	16585	14059	12802	15461	0	6345	5763	5978	26759	17700	7993	18886	9043	7662	6505	3382	6923	8697	15542	1967	5826	7101	18234	17037	16692	12720	17268	0	10785	11028	3665	9442	7992	14362	8581	2552	6224	11988	9088	11430	16647	30866	35195	37683	5148	11479	0	16290	12629	3073	3077	3396	22135	12215	21073	5645	16835	5406	0	9874	9666	Lipid	0.3478261	1.3913044	0.08695652
6	C23 H32 O8 N2	465.22314	465.22388	-0.122951046	465.22308	12561	11475	11343	12647	4282	4645	8871	15767	4449	19456	7132	6161	7975	2488	10877	22272	8924	4565	8221	17170	22547	18538	8655	18128	12225	4040	6548	6674	14802	12033	14327	16659	18639	13336	18915	15946	15014	10173	11733	12726	11931	7321	0	0	0	13115	9519	0	15109	12736	12430	13641	5370	0	10018	2981	2719	16300	5939	4873	17410	6836	5380	4955	2419	5142	7604	10717	4445	11604	5808	13744	11123	12902	7767	9487	0	9192	7459	10413	6925	4149	6690	8683	3947	4101	11378	5369	6787	20268	20215	23146	25120	8173	14142	0	11726	11991	3468	2577	3900	14775	6474	18662	0	13130	3190	0	9859	6565	Lipid	0.3478261	1.3913044	0.08695652
28	C28 H32 O6	465.22717	465.2277	-0.11735527	465.2271	12418	8579	10413	9448	14612	4012	4446	10785	11058	9926	14969	5144	17630	6772	5568	8646	6955	9999	13618	14866	15178	9162	6983	10057	6734	47492	5684	15400	7016	8610	8149	8390	9922	6400	15564	8584	8230	6225	5372	13312	15898	7589	0	0	0	7622	6710	0	6419	7640	11002	8972	9131	0	9737	12480	4738	10090	6440	4480	9352	6602	10736	10964	6252	16296	9709	7800	42387	29165	46646	5397	5162	5758	4114	5584	0	4782	12123	10924	8630	8026	6374	11125	20391	5345	16022	6088	6024	8668	7361	7931	10384	10242	7992	0	11637	9273	10880	26471	24963	9309	4361	10142	5816	9934	11257	0	6065	8699	Phytochemical	0.21428572	1.1428572	0.0
18	C28 H32 O6	465.22717	465.2277	-0.17179084	465.22708	22747	24622	15551	18289	15967	11279	17679	23820	8430	11594	16120	17676	8204	10202	16681	23077	32446	8057	17575	22905	18877	11874	18246	16874	17175	30906	16602	18021	12941	16168	19386	17252	15103	13643	13980	13751	17855	21126	34143	19157	21268	11090	0	0	0	12576	14987	0	16840	18643	18839	18523	12288	0	14503	12639	13719	27224	11782	24166	20060	8681	14235	11426	9469	9625	11713	36974	23960	33092	45989	11381	9444	16824	29790	22377	0	13637	30657	13164	27645	12271	12411	15088	25650	11935	32463	9775	12404	45474	20775	18655	26647	8064	16250	0	22936	21428	14365	24603	19914	16406	14725	15585	7367	12683	10651	0	24630	10626	Phytochemical	0.21428572	1.1428572	0.0
10	C22 H32 O7 N4	465.23438	465.235	-0.048750427	465.23434	15615	17924	16656	16718	1056	7729	1143	1505	0	1243	14180	1772	0	0	2646	2961	1569	1184	0	0	0	3132	0	2627	3146	0	0	228685	2751	2451	3919	2420	3026	0	0	0	3465	1180	1645	0	919	1880	0	0	0	0	0	0	2805	1465	15627	18635	0	0	1084	0	677	4823	0	0	0	0	0	1082	0	0	0	1510	0	0	0	0	2587	2579	0	2224	0	2455	1428	848797	1993	0	0	0	0	0	1767	1150	0	3041	1558608	392828	4922	80692	13974	0	20326	15245	0	0	0	0	1975	0	0	3769	0	0	1688	0	Peptide	0.3181818	1.4545455	0.18181819
12	C22 H32 O7 N4	465.23438	465.23517	0.10207222	465.23444	9970	15844	9514	10757	0	2054	0	0	0	2026	10815	1057	0	0	0	2983	0	0	0	0	0	0	0	0	1804	0	0	62940	0	0	0	0	3052	0	0	0	3228	0	1699	0	0	2316	296	0	0	0	0	0	0	0	6491	7972	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1602	0	983	0	623856	1238	0	0	0	0	916	2567	1743	1237	0	935834	256281	2518	66274	7308	0	11990	8534	0	0	947	0	2131	0	0	2480	0	0	1503	0	Peptide	0.3181818	1.4545455	0.18181819
4	C22 H32 O7 N4	465.23438	465.23526	0.16032484	465.23444	1006	1291	1572	986	374	1419	710	927	0	0	0	707	425	0	1087	1317	1066	510	458	0	833	1239	658	1454	1826	0	0	0	1415	634	1909	1143	1311	931	0	0	1782	795	2217	0	0	869	0	0	0	0	0	0	2290	876	923	871	0	0	575	388	286	1318	542	0	1151	0	0	864	0	389	347	1601	0	0	0	863	857	859	0	656	0	1353	829	46741	501	0	525	0	0	225	1651	603	498	2821	41952	7782	3440	1619	0	0	1229	1968	0	527	377	0	830	1728	0	1531	0	0	1209	715	Peptide	0.3181818	1.4545455	0.18181819
14	C22 H32 O7 N4	465.23438	465.23453	-0.009654672	465.23438	6247	2788	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1933	15557	1902	0	0	0	0	0	2299	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2943	2746	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1804	0	0	0	0	0	0	0	0	0	998	0	162200	1000	0	1380	0	0	0	0	0	0	0	497436	71814	0	26512	3383	0	4264	0	895	0	0	0	0	0	0	1795	0	0	1280	0	Peptide	0.3181818	1.4545455	0.18181819
8	C22 H32 O7 N4	465.23438	465.23514	0.039768398	465.2344	6663	11106	6678	9714	825	11857	1903	1906	0	2141	4744	754	920	0	1417	2290	920	1027	0	2517	0	2700	2196	3477	2919	0	1706	40979	2718	2577	2581	3522	3494	3841	2443	2744	1737	1015	1956	0	994	1675	0	0	0	2953	0	0	2142	2328	9404	8851	1573	0	943	0	516	4186	0	1278	0	1400	0	808	0	0	1049	2134	0	0	0	2242	1209	3006	1880	2013	0	1770	1809	336591	849	685	0	1367	0	0	2311	1843	1146	4564	668609	235879	4251	42210	9383	0	10963	7534	0	0	0	4072	0	0	0	3448	0	0	1641	0	Peptide	0.3181818	1.4545455	0.18181819
6	C22 H32 O7 N4	465.23438	465.23505	-0.013840477	465.23438	4580	4475	5227	3706	1065	9415	1853	3890	717	2022	0	1277	636	0	3044	3183	0	1354	1971	0	1724	2249	1435	4154	3389	0	2082	16258	3432	2488	2341	3713	3908	2685	1906	2558	4075	2600	1731	0	761	1437	0	0	0	0	2177	0	3424	2018	2970	4856	945	0	745	0	849	3976	1878	0	2874	0	0	0	0	634	1216	2409	0	0	0	3178	1526	2369	0	1584	0	1668	2687	162439	1311	0	2086	1382	0	0	2702	1011	1292	4460	140343	52960	9237	11764	3177	0	4562	4178	609	0	448	2332	1574	2231	0	4281	0	0	1724	0	Peptide	0.3181818	1.4545455	0.18181819
6	C19 H36 O7 N4 S1	465.23773	465.23825	-0.3313294	465.23758	0	0	0	0	0	2358	0	0	0	0	0	0	0	0	704	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	794	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10402	0	0	0	0	0	0	0	0	0	0	63366	31532	0	1384	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36842105	1.8947369	0.21052632
6	C29 H36 O3 S1	465.2458	465.24625	-0.46033755	465.24557	0	0	0	886	0	67672	0	1093	0	0	0	0	0	581	3390	0	0	0	0	0	0	0	1895	928	0	0	0	6823	0	0	732	0	1233	0	0	699	937	2244	831	0	0	0	0	0	0	0	0	0	0	945	609	0	0	0	0	0	0	0	0	0	0	0	0	0	729	0	0	0	0	0	0	0	921	0	0	0	0	763	552	0	0	0	0	0	0	0	0	0	0	0	49398	1592	1162	724	0	0	0	731	0	0	0	0	859	0	0	675	0	0	0	663	Organosulfur	0.10344828	1.2413793	0.0
14	C25 H36 O8	465.2483	465.2489	-0.1259197	465.24823	18611	19732	13556	19791	6973	5536	24233	25384	6845	6450	4964	13576	6033	5861	16350	27389	61288	5142	11336	8950	9662	14039	14312	20474	20233	8561	24748	0	19027	27839	20445	26370	18728	11073	6697	26413	15206	21808	54803	5093	8964	10317	0	0	0	8183	16973	0	28145	20913	21010	18152	10456	0	12677	13043	10965	24464	7884	13247	0	4299	9997	6672	11351	1735	9797	56325	0	6595	12270	8004	15071	27073	50452	23299	0	16145	26948	0	23802	7022	20357	5375	18366	12867	28144	4972	12533	40796	12516	13154	22515	9895	5582	0	18918	17551	8930	16934	19369	27945	12240	20732	0	16607	10578	0	22504	8385	Lipid	0.32	1.44	0.0
28	C25 H36 O8	465.2483	465.2488	-0.15358475	465.24823	12037	12417	11664	9987	12383	7009	25349	14473	9687	16346	8460	4282	16733	5845	7935	17124	7778	13872	18605	17448	17594	11117	8538	11808	8309	15980	59250	12032	14664	15066	12665	12562	16746	11870	22652	14763	13992	5976	10147	7782	8183	7058	0	0	0	6659	4769	0	14467	10309	12648	11082	8254	0	17145	12313	5683	19482	7264	6727	14135	5470	18108	10811	5911	18296	10482	7953	14257	30967	25740	9870	7505	12462	8219	11026	0	7387	13386	6699	7322	5812	10846	8948	14086	6144	13276	6128	8586	12794	12314	15571	16226	6562	10139	0	11618	11815	6918	10855	12724	14598	6374	17486	7014	11188	7664	0	7671	14781	Lipid	0.32	1.44	0.0
20	C24 H36 O7 N2	465.25952	465.26007	0.11126735	465.25958	3793	2007	4056	2673	1828	2041	3553	6355	1273	0	1873	1956	0	0	6467	10428	5306	0	2096	0	2912	4107	2729	8367	4651	0	1830	1948	5232	7201	8772	5385	5971	5733	2533	4188	6750	3008	4397	1140	1917	2386	0	0	0	4525	2445	0	6934	2563	2655	2542	1452	0	2463	0	0	2540	3058	4310	8618	1572	0	1339	1560	0	2541	5038	0	0	0	2256	5079	3302	7628	6276	0	4149	1737	0	2448	0	3740	0	0	1597	4412	3587	4176	6480	21566	8967	7802	0	4127	0	3011	3184	1222	0	0	6814	4194	6670	0	4711	0	0	5324	0	Lipid	0.29166666	1.5	0.083333336
18	C29 H36 O5	465.26355	465.264	-0.22591475	465.26346	4432	3281	5629	5160	0	0	7239	4147	3315	0	0	4727	1740	1056	3225	6688	22665	0	0	0	0	0	2824	1264	4898	3326	7209	1572	0	3756	5221	0	2608	0	0	0	0	6714	22531	1732	1967	1624	0	0	0	1396	1493	0	4636	5640	2280	7898	2666	0	1703	3603	4941	7414	1995	8914	3995	1008	1878	3515	2961	2643	1107	21777	2458	2821	2447	1556	3632	4303	15049	8705	0	3670	11750	1721	8909	1601	6571	2638	4170	3771	14136	2579	2398	16111	7835	6483	3158	1612	3927	0	6918	2672	4883	10898	6861	7416	2944	4870	1992	6874	7050	0	5338	1784	Phytochemical	0.1724138	1.2413793	0.0
10	C23 H36 O6 N4	465.27075	465.2714	0.071581475	465.27078	4100	3583	2778	4790	0	2355	0	0	0	0	3219	0	0	0	0	0	1120	0	0	0	0	0	0	0	0	0	0	48780	0	0	0	0	0	0	0	0	1298	0	0	0	0	0	0	0	0	0	0	0	0	0	3252	3120	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	365780	0	0	0	0	0	0	0	0	0	0	459252	118090	0	22992	2968	0	1478	2672	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.5652174	0.17391305
12	C23 H36 O6 N4	465.27075	465.27155	-0.13426223	465.2707	2952	0	2223	0	0	4119	0	0	0	0	3699	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37389	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1410	2442	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	374752	0	0	0	0	0	0	0	0	0	0	277110	97998	0	26614	0	0	2137	3627	0	0	0	0	0	0	0	0	1127	0	0	0	Peptide	0.26086956	1.5652174	0.17391305
16	C23 H36 O6 N4	465.27075	465.27106	-0.031563316	465.27075	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8833	0	0	56130	0	0	0	0	0	0	0	42594	3446	0	3701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1395	0	Peptide	0.26086956	1.5652174	0.17391305
8	C23 H36 O6 N4	465.27075	465.27136	-0.18005583	465.2707	2254	2519	2690	2241	0	4351	0	0	0	0	1185	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55445	1075	0	1144	0	1264	0	0	0	0	0	0	0	0	616	0	0	0	0	0	0	0	0	5059	2713	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	339910	0	0	0	0	0	0	0	0	632	0	284750	113843	0	24687	0	0	3264	3826	0	0	0	0	0	0	0	1014	0	0	0	0	Peptide	0.26086956	1.5652174	0.17391305
6	C23 H36 O6 N4	465.27075	465.27127	-0.099690616	465.27072	0	0	755	0	0	599	0	774	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6132	0	763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1010	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50618	0	0	0	0	0	0	0	0	0	0	32877	12809	0	1512	0	0	715	0	0	0	0	0	0	0	0	0	0	0	496	0	Peptide	0.26086956	1.5652174	0.17391305
18	C28 H41 O2 S1 Na1	465.2798	465.2805	0.33896795	465.27994	4761	2299	3444	3232	0	0	0	0	0	3846	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1935	0	521	0	0	0	0	0	0	0	5345	4242	0	0	0	0	0	0	189043	48805	0	10142	0	0	0	0	0	0	0	0	0	1279	0	0	0	0	0	0	0	0	0	0	144848	0	0	0	0	0	0	0	0	0	0	5295	0	0	0	0	0	0	0	0	0	120392	23551	0	0	0	0	0	Organosulfur	0.071428575	1.4642857	0.0
20	C26 H40 O7	465.28467	465.2852	-0.12296119	465.28464	22887	23088	32641	21182	18064	8756	45857	44226	17017	4854	9993	26796	16165	16278	24753	42978	41938	13488	20027	9086	8719	12275	13971	15367	15373	10254	50279	15682	41490	57406	38458	40512	29325	23253	7360	43452	24604	23602	49680	5985	6343	14044	1105	558	0	3843	10116	617	48871	32258	23377	25910	14397	0	28981	27730	11433	31697	14217	18395	29442	3723	17721	17454	15119	17756	18069	52921	4019	5710	11815	21730	29207	41659	60486	45354	0	22022	25514	11358	12525	6168	48217	24641	35248	21176	29156	16394	20178	39133	24035	17405	17830	9045	5735	877	26391	22457	12623	32419	39497	42714	22464	34644	10404	16636	20735	0	22072	14720	Lipid	0.26923078	1.5384616	0.0
18	C26 H40 O7	465.28467	465.28525	-0.0452817	465.28467	6899	2922	5524	6768	1612	2557	10204	3042	1739	0	1874	5675	2614	3026	3437	10437	13330	0	4046	0	0	0	3909	2571	4575	0	14798	2249	9101	11618	9858	12620	4023	4544	0	6580	6803	4272	21169	0	1985	5774	1480	1576	2083	1952	0	0	12096	5605	2672	5485	1832	4064	5073	4716	2559	5189	2346	7841	6270	0	3705	3837	3455	5712	3843	19874	1811	1609	0	4224	4265	7037	22250	7941	0	3532	4689	2430	2721	1556	6493	4302	6661	4566	13233	2044	3044	11022	3499	3117	3948	0	0	4187	5383	4869	4923	7035	12766	8410	3746	9327	2437	3341	3157	0	2835	2222	Lipid	0.26923078	1.5384616	0.0
22	C30 H40 O4	465.29993	465.30038	-0.22802536	465.29984	8159	9463	9697	6968	14623	3452	17307	6971	13145	0	3233	9876	3076	8706	9603	13095	39104	3484	15019	0	0	6795	7601	5547	10361	1713	15337	4337	7030	8427	6953	5465	9636	1205	1931	13239	6182	12685	37677	0	5908	6808	0	0	0	1725	5054	0	5337	13387	10366	13280	9383	0	10983	20941	11860	13290	3904	14830	7066	995	4055	9542	10028	4723	8979	44447	0	0	2474	0	2680	10771	19175	6797	0	4950	20835	10675	19612	4847	8977	1500	25419	21426	29773	6798	6607	54339	8884	12073	11195	7453	4320	0	7616	7725	14854	32140	34937	13227	5826	9637	2518	8650	20648	0	20651	4526	Lipid	0.13333334	1.3333334	0.0
24	C27 H44 O6	465.32108	465.32153	-0.14806817	465.32098	11814	11639	8650	8140	5649	4855	119118	5677	3082	0	3955	5683	3107	21784	6564	12805	30912	2667	5460	2060	2009	1711	4619	3056	7655	11115	103463	10412	8479	8952	6782	15024	10402	7345	2471	12654	8470	5139	34547	0	5015	5709	0	0	0	0	4375	0	8160	6479	9948	11748	7208	0	4893	7606	9088	9705	3553	8080	14215	1341	8130	3738	19550	7505	15263	32658	0	1428	5492	5523	8840	16648	16459	10817	0	2930	8350	9035	3405	5906	36601	35281	9231	12055	15374	7285	7337	30294	17319	10373	6246	0	1619	0	14056	10746	5477	7169	19035	12700	4146	5650	3221	6551	11363	0	7962	3529	Lipid	0.22222222	1.6296296	0.0
28	C27 H44 O6	465.32108	465.32156	-0.15588522	465.32098	5192	4732	5642	5193	6598	1451	72739	5993	3399	2277	9918	1908	4994	9559	4894	6296	8970	2168	5408	3692	0	1860	4222	2225	7532	5739	49727	12552	8761	7564	5472	6808	9984	6208	4080	10185	7157	4203	8644	1513	3410	4997	0	0	0	3358	0	0	7420	4798	6878	6554	4721	0	7304	5831	4893	7261	23747	5761	9561	12023	5269	2986	8385	9031	9422	9239	2275	2218	1852	1780	3724	7817	2580	5908	0	3401	5077	10156	1412	6412	11331	8317	9467	6450	12856	1425	5001	5282	12123	11563	5077	5328	2408	0	5559	6057	4012	10289	11004	13159	2248	9537	25228	5364	6601	0	4433	2404	Lipid	0.22222222	1.6296296	0.0
28	C28 H48 O5	465.35745	465.35776	-0.019289805	465.35745	0	899	892	0	0	0	51341	2369	0	0	6320	1004	0	4952	0	0	0	0	0	0	0	0	0	0	0	6992	37675	4481	0	0	0	0	829	0	0	0	934	2251	3756	792	1627	0	0	0	0	0	0	0	1269	0	1864	0	0	0	0	2559	1233	0	4276	2033	3412	1849	0	0	5545	0	1782	3266	3299	0	988	0	1078	0	0	1967	0	0	0	5549	988	2484	3330	4711	0	0	3437	0	0	895	1521	776	0	2060	0	0	0	0	1567	0	0	0	1069	3765	3810	0	0	0	837	0	Lipid	0.17857143	1.7142857	0.0
26	C28 H48 O5	465.35745	465.3573	-0.19610003	465.35736	0	0	0	0	0	0	64616	0	0	0	3340	0	0	8944	0	0	0	0	0	0	0	0	0	0	0	4800	65146	4230	0	0	0	0	0	0	0	0	0	0	4238	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10029	0	0	3597	0	0	0	0	0	0	0	0	0	0	0	0	0	2819	2927	9536	0	0	0	0	0	1806	1285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.17857143	1.7142857	0.0
18	C20 H19 O12 N1	466.098	466.09863	-0.034455538	466.098	24137	31151	24578	26420	40416	24311	6079	7774	47939	42258	25472	7117	101539	17542	11089	9041	7771	61286	59018	33422	59905	73259	19402	8641	5722	3638	5129	8246	4981	2407	2657	5957	13754	0	55217	4562	11128	9591	7185	27249	42506	38662	1766	0	383	67258	119519	768	5603	5882	31159	25504	26273	323	73523	58896	18042	7329	9632	6503	6134	44842	88536	57397	23255	59952	22835	5703	14014	10144	13521	5830	1540	2300	7512	6142	458	8548	20537	59138	11152	67364	3322	8598	55208	24534	14909	19079	17253	5036	6793	8693	13750	78811	83295	0	30144	33956	37706	35517	43808	8005	6214	8202	81909	13739	37975	0	5300	76999	Phytochemical	0.6	0.95	0.05
12	C20 H19 O12 N1	466.098	466.0987	0.023500193	466.09802	19458	22230	24216	24036	37970	16792	7874	6013	49820	46593	40397	12150	69729	9167	9655	11377	12701	40953	46379	42114	65566	87890	15751	0	2891	2492	4513	0	4182	3133	5586	5067	14105	3603	72030	5050	11087	12481	7290	28006	92000	18452	659	0	0	46585	137767	0	6600	6931	23042	25611	21398	0	52873	41785	16903	9336	8682	16188	0	39727	79682	48041	15332	51359	17371	10013	0	5300	18279	6142	2781	4165	6327	6379	0	6714	18335	38501	10870	44409	4051	5136	41598	21768	13598	15596	18379	19793	3445	10939	15546	101208	54215	0	27533	33736	47682	41815	42842	14545	7849	12165	76603	9158	40972	0	5409	72647	Phytochemical	0.6	0.95	0.05
28	C20 H19 O12 N1	466.098	466.09854	-0.04374179	466.098	5336	4577	5944	5276	5832	5334	949	0	10487	12335	3283	0	16009	2943	2625	0	0	13931	8801	8245	14029	11554	3538	0	0	0	0	0	0	0	1044	0	1268	0	17833	0	1251	1787	0	4634	6760	0	0	0	0	14312	26384	0	0	0	7076	3316	5380	0	11675	4604	2353	1200	1395	0	0	8184	17220	6308	2991	8312	3947	1448	4758	4451	7969	0	0	0	0	0	0	0	2844	8625	2297	12378	0	1993	9812	3961	2082	1891	2286	1260	1085	2760	1670	7668	13523	0	5834	5532	3994	4714	6514	0	0	0	18244	1172	5314	0	0	17288	Phytochemical	0.6	0.95	0.05
10	C20 H19 O12 N1	466.098	466.09872	0.009416329	466.098	17355	15161	14940	10478	17063	8833	1975	3973	32267	22940	23130	6506	37300	6303	5779	4447	5625	26650	25946	17171	37611	40909	9534	4335	1050	0	2675	3441	0	986	3351	1595	7512	3471	32014	1476	5150	4587	7485	14007	38728	9300	0	0	0	21193	54938	0	3853	4013	11827	14894	11565	0	31738	24613	7803	3113	4371	9112	0	18195	51491	34011	9546	25634	9081	6525	11511	3382	12861	2676	2230	1733	3019	3113	0	2820	7238	20362	6427	20331	1202	2394	29384	9295	7526	10360	11285	11728	0	2538	9331	38519	29541	0	14948	14311	24985	31577	27112	8801	2949	3481	19383	4197	23022	0	1664	42905	Phytochemical	0.6	0.95	0.05
14	C20 H19 O12 N1	466.098	466.0987	0.009958299	466.098	37437	33276	36893	43584	45925	28834	6839	8911	67207	54395	48041	13606	97892	14370	15233	12971	16946	65083	63007	51004	114857	128302	25885	15110	6393	7377	4935	8333	5612	6086	8418	6547	17935	5325	89667	8991	17905	12839	14192	35355	83596	23305	0	0	0	72779	166965	0	6739	8525	30292	34940	31585	0	81447	61309	22832	12816	10323	17522	19224	59149	112672	71485	24949	59878	25085	9665	33582	8860	20701	8032	5300	3536	9327	7368	0	12262	26318	102033	18932	67046	3878	10040	67390	31329	20956	22862	22931	17536	2855	16258	27848	116214	96577	0	37826	41350	49865	57818	56589	18245	12444	19791	142887	17769	48942	0	3555	92627	Phytochemical	0.6	0.95	0.05
24	C20 H19 O12 N1	466.098	466.09857	-0.02519982	466.098	4621	6248	2888	6115	7630	5563	0	0	9941	9393	1423	1261	18657	2372	0	0	0	14461	14078	4865	7975	13216	3026	0	0	0	1434	0	1541	0	0	0	1266	0	11460	0	2689	1613	0	5325	5369	1537	0	0	0	15883	36585	0	0	0	5292	4202	6638	0	15246	10658	4150	2010	0	948	0	7919	16972	9042	0	9637	3061	0	0	1664	2435	0	0	0	1296	0	0	1224	2017	7983	2399	14295	0	1846	17257	5876	2838	1878	2207	0	0	1815	1537	14594	8315	0	6618	3395	7124	5505	8019	0	1708	0	23164	1318	11113	0	1132	21123	Phytochemical	0.6	0.95	0.05
26	C20 H19 O12 N1	466.098	466.09863	-0.118657544	466.09796	4821	4652	5293	3430	7378	6063	0	0	9609	7963	2375	0	15430	2585	0	0	0	9953	7992	0	8313	11738	0	0	0	0	0	0	0	0	0	0	0	0	11047	0	0	0	0	4948	6062	0	0	0	0	13321	37100	0	0	0	3859	4539	4004	0	8427	7981	3036	0	0	0	0	5373	16404	5781	0	7291	0	0	0	0	5993	0	0	0	0	0	0	0	3026	6243	0	11510	0	0	7704	0	2437	0	0	0	1420	0	0	8294	15098	0	4204	0	5895	5945	5574	0	0	0	19309	0	6062	0	0	18535	Phytochemical	0.6	0.95	0.05
22	C20 H19 O12 N1	466.098	466.09866	0.06620353	466.09802	9778	5567	9013	5667	18446	10972	0	1519	16650	13050	6246	1682	27122	8188	4072	0	2337	22420	10020	7141	15202	18210	3127	4221	2364	0	1125	1315	0	0	0	0	3318	0	12830	1193	3006	3552	1545	7742	12085	4031	0	0	0	20866	58869	0	1388	1133	6027	5050	10282	458	23675	18938	7109	2492	3506	3065	1537	15299	30159	20278	6409	15756	2668	0	5227	3139	8034	0	0	0	1162	0	657	1661	5385	18331	5415	28622	0	2767	20881	8456	2183	2649	4588	0	0	0	1639	23949	26227	0	6574	9577	12266	13848	18172	1424	1314	1355	38413	1772	10861	0	0	32349	Phytochemical	0.6	0.95	0.05
20	C20 H19 O12 N1	466.098	466.0986	-0.04889636	466.098	33498	30902	35246	27118	61586	34404	4674	9264	60172	49410	24986	10028	138916	17922	14404	5728	3266	88036	63620	27218	73920	76880	24762	10312	8644	4760	4194	4494	3482	3212	4500	4780	5962	2886	40810	5798	15882	12346	5226	26590	44858	18290	2006	0	1046	78182	158664	0	3560	7308	42354	31340	34316	510	82134	58986	21492	9328	11780	7464	10436	43042	91968	68310	20846	52292	26402	0	20994	9758	23553	0	6610	2724	12914	3698	1074	8716	16428	69274	18770	76998	0	0	89920	36424	15354	20000	15346	9768	8526	12352	13380	88934	88280	0	37434	37436	55228	47120	66852	12032	5292	8220	101336	10202	56924	0	6866	91874	Phytochemical	0.6	0.95	0.05
16	C20 H19 O12 N1	466.098	466.09866	-0.006655154	466.098	64614	84742	68864	75120	98286	67118	15224	15892	128656	119412	86119	29318	214260	34974	35256	23530	18932	148912	137598	126576	179208	209274	68920	26116	9708	5014	13060	26176	11558	13412	16820	11050	31046	7622	181004	11274	31380	28296	22476	90480	130714	119836	2962	0	0	145140	287620	952	15288	14078	70042	81286	62752	0	170890	127485	43892	27658	34593	31578	27000	99852	207318	113156	49060	139080	50560	16996	60904	16766	50132	13256	12274	8714	19571	13290	572	27128	63909	176104	35252	148510	9312	22270	153154	64268	46850	46430	49370	0	8180	42430	0	241370	214202	0	67396	85062	94672	111260	145508	37856	20180	21116	199970	32988	104274	0	12268	207396	Phytochemical	0.6	0.95	0.05
20	C24 H19 O9 N1	466.11325	466.1138	-0.031489864	466.11325	5821	7147	5457	6188	3359	3850	1854	0	9027	32478	23024	1111	3400	3758	2277	0	0	6964	7360	15515	18258	20375	2358	3366	2218	26545	0	15690	0	0	0	0	2370	0	41804	0	3128	1212	0	19544	21227	1995	0	0	0	18411	22517	0	0	0	3099	6929	3445	0	5305	6308	2526	1950	1376	2888	1364	9501	7324	6781	2633	6269	2832	0	23762	31873	43760	1712	0	0	0	0	0	1400	4972	18645	3152	10995	1785	11010	7076	3438	5590	2985	4357	4274	4848	7157	2772	26823	25047	0	7122	5966	4951	7173	4445	0	0	1803	10241	2384	4341	0	2329	8888	Phytochemical	0.375	0.7916667	0.041666668
14	C24 H19 O9 N1	466.11325	466.1141	0.0657186	466.11328	0	0	1789	1661	0	1462	0	0	1218	10257	8626	0	2418	0	0	0	0	2332	2204	3640	14340	5588	0	0	0	17673	0	0	0	0	0	0	0	0	22792	0	0	0	0	6111	7474	0	0	0	0	1999	0	0	0	0	2203	3130	1862	0	1844	3254	743	0	0	0	0	4723	3237	2834	0	2201	0	0	15770	24935	30588	0	0	0	0	0	0	0	0	0	0	4996	0	3173	2645	0	0	0	0	0	0	0	0	3800	10668	0	1784	0	1984	2304	1879	0	0	0	0	0	1677	0	0	3652	Phytochemical	0.375	0.7916667	0.041666668
24	C21 H23 O11 N1	466.1344	466.13495	0.001178152	466.1344	8658	6609	10413	13445	13099	7058	2712	3000	15385	29742	9573	2626	27229	3702	5623	1953	2451	20235	13276	22271	23041	18177	7730	5478	4145	8207	0	4595	2685	3411	3154	1608	4685	3728	24821	1735	3950	3618	1706	14427	11576	3001	0	0	0	33498	46869	0	2891	1812	10410	7150	9497	0	24404	13298	5066	2907	6990	1970	2077	14936	17059	17726	5452	12729	4898	2539	14439	18758	19095	2972	1591	2769	2225	3105	0	2686	6580	6774	5229	25110	2546	8582	19043	9075	4235	4974	5480	2432	4511	6146	7971	16592	24452	0	9613	11798	11118	10657	8171	3881	2196	4652	27003	3926	11433	0	3873	25347	Phytochemical	0.52380955	1.0952381	0.04761905
20	C21 H23 O11 N1	466.1344	466.13492	-0.09232374	466.13434	50565	52166	52375	41996	64499	54500	21051	29313	72980	140749	48513	20255	116129	35603	33822	28570	18208	93305	85389	109185	119121	102574	37179	38866	26652	49050	13880	32851	24961	23074	20273	18390	33975	23114	133992	19694	36605	22472	13415	88885	62357	27152	2825	0	442	151522	164207	1173	25594	20816	56895	53246	44115	764	85933	66291	31450	21474	33865	12773	28452	79918	99534	60364	30578	63217	32110	15248	57051	73542	62855	29684	22706	23210	15141	17609	554	23997	33674	58730	30414	107732	16955	44983	81683	44986	27730	28533	32041	13377	24532	42497	51299	83454	107038	627	55595	57488	50104	47046	53585	24520	19736	37488	132548	27798	60977	873	18181	112496	Phytochemical	0.52380955	1.0952381	0.04761905
14	C21 H23 O11 N1	466.1344	466.13504	-0.0275779	466.13437	153003	159303	140882	146659	110781	83597	69014	117845	141844	389619	206924	69936	231487	62524	99812	102011	80716	180371	180022	324572	378987	346723	98694	126968	65516	108313	56056	131735	91972	94265	82450	111448	120676	74565	501717	93187	101707	82268	73679	276317	254829	84128	3344	373	282	314820	386392	0	92979	99851	138684	132025	95315	426	216137	108777	62716	102669	158402	94603	140269	219188	201164	163336	59911	138072	95688	77099	171741	166610	162026	92042	84044	92278	73882	85797	0	81460	92015	220617	75038	228023	68273	123870	130176	88794	89832	82522	84722	101662	93805	125225	150507	241816	294683	989	154694	166648	102382	96192	100169	111329	71271	144584	357848	90635	97580	0	58956	181754	Phytochemical	0.52380955	1.0952381	0.04761905
28	C21 H23 O11 N1	466.1344	466.1349	-0.06377736	466.13437	6000	4384	5934	4172	5733	5333	1151	2659	5099	17375	4267	1753	11478	1902	2778	2681	0	10165	7656	15470	16791	8752	2389	2252	0	7024	1528	4117	0	0	2142	1208	2234	1850	23539	2229	1971	2123	1664	9033	8508	2128	0	0	0	16840	25046	0	1787	0	4357	5956	5338	0	7409	3598	2675	2306	1613	0	2900	8105	11655	5675	1237	6152	1919	1019	9618	15343	16456	1891	1294	0	0	1482	0	1490	4084	4141	2583	13113	2027	6084	8332	4507	3974	1413	2166	2285	2732	3419	2841	4742	9971	0	5841	4766	4727	4890	3880	0	1748	2464	14514	1232	4213	0	1821	12077	Phytochemical	0.52380955	1.0952381	0.04761905
18	C21 H23 O11 N1	466.1344	466.13498	-0.042874765	466.13437	100001	110917	101705	105403	92724	83521	41013	82241	104281	301901	119920	43101	213229	56803	69526	65717	36685	178695	163939	251512	237556	211694	78677	80121	48384	101460	40526	66434	60235	56190	53505	57721	75748	60984	326055	56386	65858	56684	46908	188258	122521	60466	5400	454	644	265999	256197	578	63424	60316	108561	104171	77871	407	181071	100520	57444	74242	67900	37012	71116	152186	201532	111810	50344	113574	72487	39434	121134	130449	139497	56902	42847	51582	38425	40671	409	48278	70672	132592	57947	198758	41416	104081	118963	79373	57407	49896	67573	40605	71588	97048	117603	163276	238510	573	111919	116192	100634	82580	93553	77190	49946	73878	188099	61103	90041	689	40379	171600	Phytochemical	0.52380955	1.0952381	0.04761905
16	C21 H23 O11 N1	466.1344	466.135	-0.047389973	466.13437	140857	149690	148372	150926	121336	104184	52149	97192	142490	368479	161493	64963	234228	72740	96566	94268	69730	230530	206267	341946	356997	302116	111783	98957	72552	107790	54902	98612	94024	88205	92807	81462	104448	73256	481097	89361	109195	70414	64366	261779	175646	82736	5613	866	399	340147	336183	501	86205	95347	139786	128391	109741	636	190120	122725	62584	85985	113805	59424	88145	194809	213839	132551	58493	158074	97782	66671	149125	163685	166430	90092	85959	72124	58880	73724	323	71952	79734	188467	72776	235174	60123	137213	138435	93113	86356	67942	85161	71624	94489	130381	177764	207658	333289	854	140771	163318	102626	87519	101686	109674	54284	122633	261672	89244	117982	527	62835	221826	Phytochemical	0.52380955	1.0952381	0.04761905
22	C21 H23 O11 N1	466.1344	466.13495	-0.06578935	466.13437	20616	19479	25764	18318	27498	18666	4484	10246	32762	62236	19247	7876	38958	11588	10390	8491	4419	48557	30037	45382	62764	42696	12680	12302	10013	23030	5262	15745	12681	7990	7626	7348	5413	6061	48063	8525	8735	9816	5004	32962	26552	10828	0	0	421	81252	89528	0	7555	8780	23378	22616	19456	564	43938	29889	11882	8461	11724	7097	10575	31656	43597	27883	11100	30219	15120	3296	32455	36835	28007	9860	5515	7446	6176	5871	692	5340	14715	20113	12802	53112	6652	17589	39809	23143	13233	10209	8596	5660	9106	11362	13247	38016	58051	0	22019	16370	25431	22994	25045	8383	8046	11243	60506	11183	25200	0	8785	49676	Phytochemical	0.52380955	1.0952381	0.04761905
10	C21 H23 O11 N1	466.1344	466.13507	-0.052911773	466.13437	74972	71834	57826	71546	53601	35231	35276	60093	70278	174889	97674	40472	98001	24200	38698	61210	48250	82253	82049	128947	172362	157551	54180	64396	28870	43380	31617	47728	48399	48507	43871	52108	63858	41324	220545	45535	50931	34434	63129	127146	167000	41397	1188	0	0	104631	175680	0	49621	50712	75058	78013	41892	0	80663	53226	24963	56793	56748	57841	62287	105579	90271	79411	26845	75029	43000	63578	80473	60677	89992	45558	47923	42914	38840	40854	0	33351	57492	71350	39757	86534	32666	53431	65239	33319	50650	40163	39264	70174	41336	55447	85404	105353	137709	0	73039	76145	52184	54485	54488	57898	37958	54599	106468	57044	48411	0	34884	89921	Phytochemical	0.52380955	1.0952381	0.04761905
26	C21 H23 O11 N1	466.1344	466.1349	-0.119491845	466.13434	6395	5533	7389	5535	7916	6721	0	0	10262	22271	0	0	18017	2426	0	0	0	7221	7887	16274	22084	10919	0	0	0	4897	0	3034	0	0	0	0	1517	2277	18803	0	0	0	0	11215	9927	0	0	0	0	20800	26986	0	0	0	8456	7152	5506	0	10770	7267	0	2417	2801	0	0	9843	18944	8131	0	7187	2296	0	9830	12163	13826	0	0	0	0	0	0	0	0	11503	2729	10743	0	5468	8850	0	3139	2358	3132	0	2747	2419	4704	6726	12611	0	6614	7542	5042	4802	4794	0	3051	0	15902	1932	6532	0	0	17456	Phytochemical	0.52380955	1.0952381	0.04761905
12	C21 H23 O11 N1	466.1344	466.13507	-0.010578092	466.13437	119902	121364	122427	109898	75838	56742	66173	98759	104990	285586	170897	63181	137660	36126	69352	76687	81441	141015	140831	236877	301692	263205	87155	99090	45416	80129	47915	104167	81129	70704	74919	70501	98438	78118	393061	73656	87394	65224	84637	213968	279537	59425	1977	0	0	214664	345505	0	78852	88287	120320	107811	73621	271	153881	74269	46394	83862	103986	89489	91892	180631	168245	111729	45456	107331	66755	75817	165619	119029	150238	75764	80250	71259	56518	68136	0	61224	80721	142363	71322	171252	55489	97966	93108	57342	65345	51459	65077	102903	58541	94750	121448	195255	192493	0	132940	137357	99754	70559	77987	99362	62370	109347	225514	85550	81605	0	51994	151283	Phytochemical	0.52380955	1.0952381	0.04761905
14	C20 H23 O10 N3	466.14563	466.14624	0.002028678	466.14563	19477	12955	13444	9695	11863	11793	11873	17584	12861	9161	8631	11809	20724	0	19962	16794	21135	15141	17782	11544	12763	31095	21172	23005	12379	0	11273	0	15916	16772	16092	17052	25919	15219	16990	11080	18745	14253	19062	13531	13570	11865	0	0	0	14452	18949	0	19064	13495	22208	18569	11225	0	14380	8250	6795	14708	31267	9981	0	17067	17698	11446	8538	15067	10704	16284	0	5180	0	19780	15439	15953	11191	10756	0	11832	12387	0	15777	12889	10364	7598	7998	8659	15760	12965	10616	28491	14632	21251	39619	15971	9486	0	10855	14922	7225	5176	8480	21392	15234	21939	24135	27938	7182	0	14986	15985	Peptide	0.5	1.15	0.15
6	C20 H23 O10 N3	466.14563	466.1464	-0.07379895	466.1456	21654	20626	18213	14799	10713	7397	9143	17628	14596	18733	13350	13723	20535	2448	13177	21930	22743	17703	15452	15629	27708	29228	19278	23071	5075	1346	10713	4960	13358	18332	17186	19846	22985	12117	20862	16648	21886	13342	25110	15398	31595	12490	0	0	0	17682	33975	0	17460	17527	19091	18446	11862	0	22293	11376	8479	20212	13030	22518	21215	11985	26236	17939	8321	19693	15797	32587	4252	5624	7484	17884	15425	13835	11841	12385	0	11095	16185	8821	11596	13084	9433	5128	12076	10582	13890	14439	15235	31441	6687	20009	33316	18391	13439	0	17633	17667	9735	12509	10456	21637	15221	20001	12496	25684	10637	0	10736	25219	Peptide	0.5	1.15	0.15
10	C20 H23 O10 N3	466.14563	466.1463	-0.07802081	466.14557	40236	42365	32275	32196	16983	18307	20279	39804	25268	25126	16422	34129	33039	5514	36153	36480	34598	35879	41458	27829	34047	63123	38729	46389	22206	0	23689	11094	30517	32984	30959	34793	44277	31787	47104	31478	47275	29240	45968	40254	46481	23719	0	0	0	47413	45583	0	37451	32451	38793	33852	18705	0	35184	16450	16947	34373	37394	39787	39390	38447	33840	33003	22035	27056	26123	45048	10613	9781	13977	32176	30076	32511	25534	32319	0	25872	39306	20349	30895	25831	22348	11578	21100	14878	33139	25113	27292	53230	18122	42059	75013	32089	36716	0	39813	37202	13551	0	18319	41416	27390	42075	26730	41307	17028	0	23719	0	Peptide	0.5	1.15	0.15
12	C20 H23 O10 N3	466.14563	466.14627	-0.069465645	466.1456	30550	29162	25248	24937	13649	14451	19582	38544	20053	19392	13521	28074	24074	5557	28530	29008	30212	24915	31682	24965	31762	57084	32992	30151	18754	0	14198	0	29105	24123	28837	23582	39473	21721	29117	28014	30023	25302	37366	34442	39848	17885	0	0	0	39812	39119	0	31995	26985	23143	20632	20573	0	34462	9962	13526	27704	37714	29823	25155	24704	30129	23912	13164	25855	20096	36286	0	7948	9999	30207	26588	21431	20582	21220	0	27926	25061	0	22740	27280	17981	16475	14224	15621	30801	20183	20694	45364	15099	35674	54462	17541	17070	0	26864	30384	13209	12952	11521	29130	20552	25243	37122	36539	12259	0	21137	29587	Peptide	0.5	1.15	0.15
8	C20 H23 O10 N3	466.14563	466.14633	-0.075391926	466.1456	29644	34925	30153	37026	17296	13398	18127	36369	25401	27696	22932	29753	31651	5920	22552	33274	33762	28157	36356	29009	39941	53124	33061	40212	13283	2237	18461	9617	27814	26063	29142	31832	36210	24055	40421	26942	36717	21037	37202	34865	54714	19909	0	0	0	39430	57819	0	33603	31722	30609	33152	18751	0	28953	16594	18193	27663	27586	38334	38213	36139	44661	31661	15255	26328	20177	37197	5265	5796	12626	29608	25856	26041	24409	25468	0	24069	28785	15686	24207	24053	17211	13321	19280	14005	27656	22937	26220	61867	24406	36208	57769	28499	29513	0	35114	35963	13497	21092	19864	38326	21498	46508	21430	36235	15293	0	18815	39180	Peptide	0.5	1.15	0.15
18	C25 H23 O8 N1	466.14966	466.15024	-0.06301509	466.14963	10644	9277	6390	7056	3668	3059	2294	0	6647	29594	29296	2291	6821	5557	3441	2491	1792	2949	3658	34555	28328	15434	3453	2995	1615	49269	4039	26845	0	1701	1774	0	5607	0	34135	0	3562	2530	2040	28573	31784	2120	0	0	0	15817	17272	0	2811	1821	9725	7282	5140	0	6245	4001	3648	1692	1535	4346	2350	11735	5132	4717	1921	3381	4326	2874	46015	63962	84881	0	0	0	1996	0	0	1712	3153	18876	2782	9878	1996	18577	5183	1907	6822	3132	3061	5454	5251	6909	4865	17599	24152	0	8899	10566	6728	3170	5722	0	0	1796	10128	2931	2400	0	3108	8049	Phytochemical	0.32	0.92	0.04
22	C25 H23 O8 N1	466.14966	466.15024	-0.036306284	466.14963	5935	8243	6143	4929	7123	2171	0	1333	5650	26482	24907	0	2700	0	1407	2607	2506	6757	5757	19188	30855	12033	3324	2440	1387	42354	1273	27260	1283	1523	1151	0	2255	1872	31455	0	6105	0	2918	21368	24457	2931	0	0	0	14321	25585	0	3133	0	5337	4339	3702	0	4188	3279	3295	0	2686	3160	2354	14427	6896	5197	5197	6791	6047	3630	43596	47102	61786	0	1231	1058	0	1160	0	936	1606	14709	4183	14500	1900	14844	4359	2465	5038	3341	3629	4114	0	6202	7801	20999	20683	0	8779	7813	4194	3933	2669	2336	0	3219	15723	2179	3662	0	3280	5798	Phytochemical	0.32	0.92	0.04
24	C25 H23 O8 N1	466.14966	466.15015	-0.020035109	466.14963	3697	2518	2061	5568	1593	2011	0	0	3143	16537	12126	0	0	1985	0	1755	1663	2720	2351	7982	8493	4817	0	1652	0	14720	0	8761	1208	0	1337	0	0	923	14832	0	0	0	0	8618	18453	2095	0	0	0	9531	15359	0	0	1427	5068	4364	1979	0	2766	1414	1361	2417	0	0	1288	6378	3658	0	0	0	3007	0	18601	16536	31131	963	0	0	0	1362	0	0	2124	5735	1154	8180	0	8152	2152	0	1158	2039	0	1693	1963	0	1741	8967	9675	0	5117	2813	1343	2243	0	0	1797	2255	5369	2184	0	0	0	1983	Phytochemical	0.32	0.92	0.04
16	C25 H23 O8 N1	466.14966	466.1503	-0.03391224	466.14963	3496	5164	5021	3022	4297	1377	1181	2900	4169	17356	18553	1506	6573	2148	1283	2413	0	0	3755	20353	25834	5695	0	2154	1286	38819	1664	18596	0	0	0	0	3340	1721	17935	0	2553	1083	0	14915	18256	2324	0	0	0	6350	13372	0	0	1678	4570	4706	2401	0	0	2406	1133	2576	0	2737	0	5939	6648	3848	1275	5993	2829	0	31827	49864	49653	1489	0	0	1793	1911	0	0	5337	9611	2222	3905	2537	9897	4017	1995	1820	0	1228	0	0	5069	0	11370	15040	0	3415	6672	4571	4150	1588	2188	0	3435	7221	0	2992	0	1662	2147	Phytochemical	0.32	0.92	0.04
20	C25 H23 O8 N1	466.14966	466.15018	-0.08347898	466.1496	7487	7593	9798	12878	5353	7155	3699	1544	6878	36625	37853	2703	3491	4563	2748	2095	2670	5707	6730	30822	33953	17958	1718	3742	5684	59040	1780	37226	0	2525	0	3296	3472	1940	38578	0	0	1269	3702	31185	38468	2818	0	0	0	19408	27848	0	1580	0	8844	9887	6056	0	6517	4500	4290	2792	1487	4138	2459	14881	7962	5637	4202	7658	3037	2723	54515	74298	84337	1833	0	0	2351	0	0	1726	5914	23979	5496	13132	2714	16631	5436	5186	5337	2843	3269	8684	5599	9764	5763	22609	27744	0	8309	6448	7141	3696	3415	4191	1811	2343	10433	3457	7570	0	3371	7626	Phytochemical	0.32	0.92	0.04
14	C18 H27 O13 N1	466.15552	466.15625	-0.26082635	466.1554	21308	25439	35890	13808	29213	21644	8547	17455	32866	69146	33188	8154	51732	0	26362	12714	10440	51498	25846	48782	53822	61250	25867	18521	10652	8122	8878	8735	14705	12864	14119	14976	31968	15003	103048	17951	15137	9332	11300	31677	45798	16082	0	0	0	56320	59430	0	15296	10917	13697	30248	22142	0	51316	21061	13252	20257	16147	12569	0	51746	37023	21417	11211	16210	10781	11834	0	38264	7861	27646	25064	12683	11241	13074	0	0	11983	0	20662	36382	16204	30156	12746	10027	13253	7350	7535	16028	30377	22561	25480	20822	33473	0	16669	29323	15012	10865	9549	12627	12322	50612	0	18466	12661	0	10918	29827	Unclassified	0.7222222	1.5	0.055555556
24	C22 H27 O10 N1	466.17078	466.1713	-0.0887426	466.17075	21842	24053	21291	22246	26526	17925	5096	14562	28652	48234	16433	10428	39611	10606	13407	14611	5713	35514	22422	41420	57574	21265	15201	17956	10733	36765	5276	13246	10509	9389	12652	12057	11901	14732	44765	11782	13545	11920	8210	27417	24517	8098	0	0	0	46294	51330	0	14691	13711	18249	16872	15544	0	29489	20818	13486	12315	10390	7451	12671	26942	33245	24499	9261	19493	10109	10694	36003	58455	57577	16192	10467	8900	9929	9648	0	9371	16456	9815	16369	23331	9071	21836	30403	17467	11095	11698	11763	5516	13842	10407	17443	14566	28478	0	21103	23435	16198	16137	15924	16396	6255	13555	29878	12309	16778	0	11369	40399	Phytochemical	0.45454547	1.2272727	0.045454547
12	C22 H27 O10 N1	466.17078	466.17145	-0.03524109	466.17075	155281	154516	147635	155232	78100	72693	114859	196998	108331	318147	172346	181104	123822	47170	249158	132325	121745	128106	142728	328054	325408	277805	278922	168588	100397	165455	85962	145108	159324	267098	282126	276006	331860	247896	896946	285008	128979	228796	129936	274656	255942	74383	1977	0	0	498976	250144	0	274694	152089	153962	150630	82067	507	159013	74044	57344	309796	162165	145145	169204	191642	135717	102320	47362	116860	84289	148033	208135	235557	210077	273764	268894	317044	105842	254380	0	107106	218652	125400	200710	291972	121171	155688	83761	66263	99813	69389	83275	159490	132489	158464	378494	174381	183841	783	163420	180711	98473	60575	72809	144024	209854	183111	204791	258444	75878	0	188880	140273	Phytochemical	0.45454547	1.2272727	0.045454547
28	C22 H27 O10 N1	466.17078	466.17133	-0.074956045	466.17075	7824	4972	5490	4924	6303	5215	1890	3966	7185	20134	4672	2178	12139	3475	3887	5015	2577	5957	7136	18588	20394	7183	3578	5300	2897	17049	2444	4092	3123	3745	3947	3144	5297	3962	20220	2943	3984	1412	2557	10777	9318	2279	0	0	0	12749	14764	0	4231	3573	4256	5332	4384	0	6867	5370	1758	3357	2494	1650	5076	5051	7847	5053	2013	5440	4840	2467	12435	24023	24441	3191	3220	3304	4324	2537	0	1991	2716	2514	4642	5901	3130	7652	6736	3002	3826	3046	4358	804	4161	4464	5626	3803	7538	0	6372	6790	3367	4389	4212	2956	2018	5172	6821	3034	3883	0	2339	11587	Phytochemical	0.45454547	1.2272727	0.045454547
14	C22 H27 O10 N1	466.17078	466.17142	-0.038945578	466.17075	245577	243986	216761	253621	139551	197779	154025	290361	186122	603658	282446	139243	243485	99025	197607	234522	179348	229867	234747	598464	553648	408117	203351	291450	197584	332103	128984	244377	238308	255324	206480	237154	254169	192932	731356	245060	235572	168720	166896	437639	318286	145859	5431	558	389	400997	366270	0	246139	245040	256202	231700	137319	963	246198	136213	94901	235262	330033	175777	297092	0	218049	181943	91848	170955	137220	147188	360646	428800	327969	226743	226803	267434	159736	222981	254	162587	168587	219789	150780	245109	183749	263101	169403	131108	153640	140018	148680	210148	226004	246775	301606	238729	328974	1685	271176	275761	135357	111810	132375	244578	153120	318837	350793	200936	143929	417	146020	224829	Phytochemical	0.45454547	1.2272727	0.045454547
26	C22 H27 O10 N1	466.17078	466.17123	-0.12102587	466.17072	6067	9993	6925	9775	11978	8314	0	6717	10146	29387	4634	0	20500	4657	0	0	0	19551	8416	25665	25976	8226	8822	0	0	18214	1892	5312	0	6886	2372	0	4718	6467	27128	0	7852	3985	2327	16916	10606	0	0	0	0	15762	19277	0	4626	0	7011	7616	6869	0	6889	9247	3080	4504	4242	0	4819	10148	11987	10634	2988	13792	3342	2403	14978	34601	26890	8387	5940	0	0	5605	0	4082	7865	5520	6214	10211	3120	9392	8505	0	8456	4520	4175	3381	5110	6139	8589	3869	16215	0	6727	12126	4917	4499	6057	0	3077	0	8316	3065	5621	0	3144	20667	Phytochemical	0.45454547	1.2272727	0.045454547
10	C22 H27 O10 N1	466.17078	466.17148	-0.08770706	466.17075	183236	171708	157470	81030	41689	40597	48212	96355	60389	369842	96540	113456	82998	28840	61615	176542	57813	70745	162874	170674	362700	299802	69642	104161	46902	78425	47363	63272	154254	77321	139758	156280	85967	138194	475692	164188	85641	54681	63741	286032	126739	46322	1283	0	0	114579	236964	0	86151	82126	193758	175766	43272	342	77588	49593	30853	86272	86656	61434	79133	180244	81923	63523	28783	72692	50396	72952	93397	100741	109467	157266	73833	161952	54988	149806	0	54580	65365	64335	56817	140294	57720	67246	50608	33114	55758	77014	43808	160002	74045	93272	107533	165614	126776	0	183470	93501	43809	42179	45627	165126	51699	105564	83934	76499	38304	0	51872	82282	Phytochemical	0.45454547	1.2272727	0.045454547
6	C22 H27 O10 N1	466.17078	466.17157	-0.07384849	466.17075	22006	24341	31948	22463	10980	9261	11096	42142	13904	47000	22208	12444	26381	6852	26296	21637	13765	18378	19904	36883	44583	40869	15462	52524	8727	8326	9382	11471	21463	35452	16264	33582	41996	14932	112670	16866	17027	23516	36440	22801	32395	10533	0	0	0	22284	29332	0	24258	36876	21009	19745	11399	0	21144	14918	8930	22781	12396	14813	17540	18024	25167	15797	5793	18742	13458	19186	11185	15734	20998	31094	15199	15339	8724	16462	0	21978	27460	9793	11084	14506	21646	11908	16630	7700	14567	9198	12247	32034	11816	38942	75964	24485	29610	0	23082	20897	10623	13183	18696	15112	11011	25176	14685	38226	13628	0	8962	23957	Phytochemical	0.45454547	1.2272727	0.045454547
22	C22 H27 O10 N1	466.17078	466.17133	-0.097399525	466.17072	119130	120622	115588	132274	139596	98128	33734	91742	130750	295224	100140	47660	189714	55158	79102	94456	64484	197208	151016	251818	248334	135688	98952	96268	75678	204908	41246	99640	87334	82472	72864	76000	73412	0	250116	75280	95364	58218	46748	185990	110182	61592	5726	0	1396	234232	229908	0	76702	76360	117438	111134	95050	1272	176018	113856	59608	70994	70910	52952	97472	143226	156342	120856	48900	131456	82694	38518	181980	281466	234184	90642	66102	69796	53366	73402	756	65910	89126	78806	79592	151360	47336	108220	167502	88618	88322	62368	56684	38306	67282	91892	109638	94178	170986	0	114444	135114	99510	95402	99324	82524	46494	90970	152788	69340	96228	0	49930	195268	Phytochemical	0.45454547	1.2272727	0.045454547
4	C21 H27 O9 N3	466.182	466.18286	-0.08976649	466.18198	9977	10064	8309	8444	3979	4900	5910	10781	5773	6361	4329	6404	10739	3586	8122	10379	12090	7451	9892	7688	8525	14851	8085	13316	5545	1253	7150	0	8528	7737	8514	8454	10922	7734	13082	7700	10478	8386	17797	9166	10051	6169	0	0	0	8835	15696	0	12392	8935	9583	8623	5557	0	9786	5633	3798	11320	8103	9908	10172	6758	6783	7333	3860	6872	4711	16169	2619	2944	2950	8682	6229	8312	2552	7009	0	5241	7887	4351	6862	5589	6390	3681	5711	5885	9279	5279	6380	20037	11382	13974	20555	6514	8485	0	10713	12030	3381	6321	5627	10521	4736	11786	5425	10739	5310	0	4547	10123	Peptide	0.42857143	1.2857143	0.14285715
14	C21 H27 O9 N3	466.182	466.18265	-0.1104149	466.18195	27325	20304	22684	34017	7781	14407	27777	46622	14804	24040	9369	21809	17426	5474	35469	43847	28153	16713	23227	23797	16257	57502	35297	47434	45872	0	24535	0	41850	38639	34529	44554	52894	34324	24565	37054	49721	34494	30112	31930	16440	18515	0	0	0	35182	28767	0	34007	34991	29252	27137	18752	328	25339	9046	11299	51085	54648	18749	45467	24295	15949	11520	10575	19239	16644	28154	0	9418	0	34381	28493	35428	29098	29409	0	32245	28074	0	23994	18910	34467	11529	7503	11708	29612	24784	21264	44210	56092	62434	88885	15336	21052	0	39125	28200	8644	7290	5304	39773	25422	49433	29475	44320	9117	0	38880	18156	Peptide	0.42857143	1.2857143	0.14285715
12	C21 H27 O9 N3	466.182	466.18262	-0.12446627	466.18195	52368	45811	50692	47802	17969	19260	62995	79666	26058	40827	19261	38612	22442	6681	54113	50222	45827	37023	43433	57548	46876	100930	57752	71381	54202	7439	31170	18867	76199	49054	62419	59436	79868	50762	54770	56729	62961	54644	59426	67825	37566	26731	0	0	0	58044	48880	0	58968	54358	52078	46769	28911	0	0	14015	18387	67778	81571	43463	69087	34659	26983	0	15669	30759	34090	58034	0	15922	12026	61226	56605	53615	33099	50081	0	49822	43170	20250	44354	35803	56716	30414	15065	20124	55945	24311	34458	80819	62984	98621	118438	38807	32377	0	50564	58424	19685	10685	10488	61168	44204	65331	42124	67374	15448	0	53721	32278	Peptide	0.42857143	1.2857143	0.14285715
18	C21 H27 O9 N3	466.182	466.1827	0.22854884	466.1821	152244	150193	140423	145151	95256	96463	72496	143659	119646	348402	164817	70910	151934	64489	122487	105291	60155	144744	161055	309519	234426	155808	111830	133674	105015	204911	56616	137945	118771	106375	126760	110477	135390	105731	377344	120928	143856	92643	69136	223427	123563	74311	2614	0	0	179025	108376	0	121116	121473	144361	139587	79031	0	174418	82954	57629	122437	123459	62839	113380	129813	165545	118944	56508	110237	72860	67059	160932	307235	249862	126507	111023	126646	70794	116007	0	87351	119705	66149	104863	102064	79574	126512	87473	79828	103485	62485	87734	73936	132633	156772	167734	95787	134192	580	131237	139868	97473	73526	74975	125976	78114	145247	91816	96544	71803	0	86182	162054	Peptide	0.42857143	1.2857143	0.14285715
12	C26 H27 O7 N1	466.18604	466.18668	-0.31080458	466.18588	0	0	0	0	0	1012	0	0	0	4181	6560	1176	0	0	0	0	0	0	0	4130	11180	0	0	0	0	16972	0	17872	0	0	0	1972	0	0	6543	0	0	0	0	5382	0	1375	0	0	0	2885	0	0	0	0	0	0	1206	0	0	0	0	0	0	0	0	0	1875	0	0	0	0	0	0	23900	20727	0	0	0	0	0	0	0	0	0	0	0	0	3648	0	0	0	0	1025	0	3081	0	0	3892	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.26923078	1.0384616	0.038461536
24	C26 H27 O7 N1	466.18604	466.18655	-0.07155274	466.186	2834	3304	5484	5901	2861	2287	0	1823	0	14155	17398	1891	1832	3715	1873	2742	2882	2854	1729	14450	15763	7524	2102	3399	1748	40363	0	23920	0	2220	1729	1418	1481	2803	12505	3379	3178	1305	1462	19302	26692	3299	0	0	0	13275	12615	0	2477	2144	6329	5032	1357	0	3645	2003	1140	2037	1610	1343	2951	13236	1842	1799	0	4247	2938	2153	36062	27976	42723	1513	1586	0	2038	1220	0	1356	1554	8184	1907	6853	1976	13716	3834	0	2993	3225	1947	3198	3094	3424	2352	8247	7418	0	4518	4536	1609	2036	0	1468	1866	4022	5931	1911	3291	0	3092	1966	Phytochemical	0.26923078	1.0384616	0.038461536
14	C26 H27 O7 N1	466.18604	466.1868	-0.067464285	466.186	3215	0	0	2777	0	1691	0	0	0	10463	11952	0	0	0	0	0	0	0	0	11755	9530	0	0	0	2260	22824	980	27857	0	0	0	0	0	0	5948	0	0	0	0	4774	5414	0	0	0	0	2070	4120	0	0	1625	4074	0	0	0	2114	0	1038	0	0	0	0	3343	0	0	0	1603	0	0	16199	21986	25910	0	1223	0	0	0	0	0	0	0	0	0	1409	4857	0	0	2320	0	0	0	3835	0	3377	4943	4823	0	0	0	0	1044	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.26923078	1.0384616	0.038461536
14	C19 H31 O12 N1	466.1919	466.19266	-0.28900748	466.19177	160344	68448	66320	74152	24932	31976	37632	113612	10781	209472	42248	84992	17353	0	94817	76640	43348	11696	48923	236392	79808	113444	59204	81008	94961	15736	37740	49712	82872	79840	60300	72688	192984	77456	121656	76664	96908	119199	70574	130376	54272	42492	0	0	0	86036	55016	0	99784	169552	52992	68000	30492	0	22021	13405	27392	82228	74744	43944	138480	66816	10384	11993	47425	42428	49834	155032	0	49956	43104	92688	66976	59520	61768	75844	0	49881	47884	0	52608	53412	70912	48384	27407	0	66204	47504	46444	62500	102968	155288	122116	39740	107424	0	75136	77764	31067	29236	30072	96945	60548	94584	0	96440	5707	0	69456	48538	Unclassified	0.6315789	1.6315789	0.05263158
22	C23 H31 O9 N1	466.20715	466.20767	-0.1036354	466.20712	149768	149390	144460	146033	145387	123586	58053	154445	145263	338379	135985	78979	191336	96807	109865	132714	75794	213067	184206	337265	346292	158716	137744	170686	107800	283721	52925	120593	138209	115713	118605	130385	129325	116065	339708	134734	150152	94321	69508	204470	134287	0	3966	0	495	208420	168502	0	133687	120272	153092	140464	101990	460	167827	134162	70110	127290	113245	66080	144055	144969	182586	127431	65569	151304	99261	72274	232212	416618	301932	144982	128667	128962	68012	108790	388	92904	106089	70573	0	107129	82268	118111	140853	94632	108123	83684	90869	78168	119412	167478	171376	87534	170294	0	138318	167926	111974	102600	105401	0	85830	143412	124991	118392	118358	0	83697	188678	Lipid	0.39130434	1.3478261	0.04347826
28	C23 H31 O9 N1	466.20715	466.20767	-0.14327239	466.2071	7387	5886	10476	6658	8333	5387	2131	8824	5610	21748	9471	1756	17657	3095	6895	6335	3398	10735	9960	20958	26296	6500	5680	7779	3340	23181	1477	5673	5408	4717	5787	5634	6166	6597	16107	7111	7369	4435	4667	13644	10987	3734	0	0	0	11138	10131	0	6498	6730	7702	6875	4923	0	9113	7563	2713	6636	2869	3262	8834	4751	10883	6198	2815	10359	5754	4194	20024	38917	33314	6855	4054	5087	4694	4311	0	2632	6365	4463	3912	4687	3140	8290	5291	4463	5295	4396	3727	5316	4737	5195	6939	2405	5530	0	7490	9627	5284	7029	6777	6534	3700	6646	4358	3565	5003	0	3193	12388	Lipid	0.39130434	1.3478261	0.04347826
14	C23 H31 O9 N1	466.20715	466.20776	-0.11260402	466.2071	149990	147594	154349	159998	89079	84212	125773	220810	96258	209478	127586	109554	126945	67108	146484	195834	162896	144390	154260	301081	286719	208449	160055	240840	142629	235349	97194	137654	169736	179572	143443	205404	172709	143210	247698	201047	158090	118059	146325	201827	191468	96494	3127	543	409	216216	180173	0	167078	189080	142107	143826	84097	838	124021	89740	64611	174474	194823	146722	226100	141643	109294	105182	59531	100226	93749	139881	236482	263507	208922	150957	153539	195360	144855	147746	0	119653	143255	115218	113498	112702	123961	125751	110953	88424	123836	91391	105402	183756	143561	175869	226890	116847	170384	835	144837	190684	72895	75230	100437	202207	110609	248851	142249	167322	88581	0	113100	109649	Lipid	0.39130434	1.3478261	0.04347826
6	C23 H31 O9 N1	466.20715	466.20792	-0.13247219	466.2071	15082	17346	16694	17518	8107	8488	11352	21737	10682	38073	10975	8997	15438	5934	16050	22594	9867	10476	15804	35138	34311	24076	13245	20688	10485	10664	10136	11267	20008	16969	16818	19323	24818	18548	37927	21582	21530	11642	17589	17347	18294	7516	0	0	0	17565	16405	0	22641	16472	15782	16608	8401	0	15880	7246	4707	21847	9566	7037	18637	14903	15820	8373	4691	12273	11429	14793	8351	20181	20039	18628	17444	17673	8300	15371	0	12860	13599	7250	11008	8684	11518	11803	6899	7839	12423	7375	9614	17468	21822	26249	22997	14003	22811	0	16563	16179	5846	8465	8605	20676	10381	27671	8110	18322	5336	0	10132	14577	Lipid	0.39130434	1.3478261	0.04347826
6	C22 H31 O8 N3	466.21838	466.21918	-0.0791484	466.21835	16932	15455	12606	11306	5518	6467	9577	17866	7015	10285	6810	7651	6838	3258	12920	18865	12239	7743	13686	14762	12907	27380	13342	21943	13835	1754	8100	3073	16180	12005	16035	17410	17506	12101	16070	13376	18328	10795	14270	13388	10866	6153	0	0	0	14505	10580	0	22669	14120	15797	15556	8208	0	12167	9450	4577	20209	8172	5410	17348	7747	6427	7361	5184	7564	9136	13798	0	6612	2916	13133	11590	12144	6548	11304	0	10560	11012	5194	7782	5178	9681	8820	4606	4075	11678	7145	8540	24569	25845	27645	36005	7846	14424	0	15233	14542	3600	14679	19407	19735	8409	21870	0	18460	4564	0	9224	16670	Peptide	0.36363637	1.4090909	0.13636364
14	C22 H31 O8 N3	466.21838	466.219	0.004244118	466.21838	7032	8460	4468	6748	1389	6786	13842	14784	8344	5374	3366	4791	1453	3724	13860	14965	9395	8052	0	11433	9499	13557	10493	20998	17553	0	7714	9077	18169	11987	12510	14072	16376	11667	7907	13570	14858	12087	7593	6692	0	4919	0	0	0	11504	0	0	10657	10419	10140	7683	5908	0	6022	3699	3522	15755	13657	0	0	3801	3327	0	2257	3605	6186	8755	0	3371	1750	10330	12664	10702	6284	8917	0	10023	8699	0	5742	3046	10281	5167	3016	6570	9342	6093	5927	13764	32813	19989	24423	4548	7893	0	11278	12798	0	0	0	13496	8498	13198	0	16656	0	0	11027	0	Peptide	0.36363637	1.4090909	0.13636364
8	C22 H31 O8 N3	466.21838	466.21912	-0.100777514	466.21835	18236	18433	14302	16763	5879	6750	12886	27673	7099	16653	4114	10580	8617	2608	17545	23486	11199	9991	12284	21992	14992	30685	14448	27656	19283	1977	9721	6850	20259	16807	16651	24818	24352	18776	22610	22369	26299	11150	12468	18562	10637	7599	0	0	0	15063	9823	0	26743	17577	18276	20531	8700	0	7470	5179	6588	24746	11057	8960	23720	10013	7396	7244	5523	9460	10978	13830	0	8442	5367	19559	16344	17571	10613	12356	0	11959	14678	5655	12620	7906	10755	13528	5413	5885	13329	9665	11211	22705	39709	37038	45045	13692	20119	0	16435	16391	5638	7030	4838	23428	11017	24648	0	20648	5225	0	13228	10519	Peptide	0.36363637	1.4090909	0.13636364
10	C22 H31 O8 N3	466.21838	466.21902	-0.12740086	466.21832	26256	18356	17595	20763	6904	10882	15734	24533	6127	15536	6088	10718	6957	3202	18895	23200	11236	10966	13767	14975	15527	27754	15159	24572	21717	2946	8408	19304	23022	16053	20725	24170	27200	17090	19886	21752	29693	14232	12802	19913	11315	7074	0	0	0	19170	6649	0	20703	12926	18624	17847	6901	0	12103	2837	6000	23573	15167	8130	15985	10075	6504	7223	3211	8649	9423	14676	0	10327	5310	24528	15927	21216	11984	16620	0	13927	11829	11849	12869	8309	14009	11453	3020	5005	14945	8642	10952	26305	189304	217443	41358	11960	17475	0	19908	22215	4721	2417	3259	23272	11188	26108	0	19289	4217	0	15019	7135	Peptide	0.36363637	1.4090909	0.13636364
20	C22 H31 O8 N3	466.21838	466.2188	0.3684023	466.21857	0	0	2661	0	0	0	0	0	0	0	5017	0	0	0	0	0	0	0	0	0	0	0	0	2462	1675	0	1209	149193	0	0	0	0	0	0	0	0	2287	0	0	0	0	0	0	0	0	0	0	0	0	0	3043	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1182	0	7558	0	0	0	0	0	0	0	0	0	0	24030	8765	3327	0	0	0	0	0	0	0	0	0	0	1511	0	0	0	0	0	0	Peptide	0.36363637	1.4090909	0.13636364
12	C22 H31 O8 N3	466.21838	466.21902	-0.030836552	466.21838	14663	12302	14323	14103	4808	5969	14172	20445	3873	12489	5497	7414	0	2009	17705	12130	11412	7939	9404	14509	8651	21544	18221	16319	16563	1658	5948	17885	20625	12289	18443	14086	21424	16205	11108	17035	15326	11737	16242	16465	8390	6265	0	0	0	15949	7756	0	14804	13470	16369	16810	6818	0	8076	1619	3928	19484	18256	7915	0	9530	2759	4440	3568	4616	5730	14916	0	6762	3869	12881	12058	13158	8097	12447	0	9625	11814	0	10716	7146	12968	10575	3001	5594	9275	6231	6694	21660	121498	187077	35662	6202	8007	0	12194	15958	3390	2536	1501	13702	11998	16953	0	15828	3886	0	14042	6360	Peptide	0.36363637	1.4090909	0.13636364
22	C27 H31 O6 N1	466.2224	466.22287	-0.23439927	466.2223	11545	9145	7194	10327	5396	5380	3983	6714	2360	14073	22908	4031	3174	5735	3976	10727	10397	4243	5951	15765	16421	8368	5144	11789	7827	45182	5016	23005	3118	4987	5529	8757	8189	7040	11862	3663	7931	3576	8440	13386	27520	6303	0	0	0	10596	11832	0	5651	6778	9780	7814	5396	0	2505	3096	3580	7593	3980	6427	8495	13963	1788	4662	3205	5821	7436	11532	41271	33721	54338	5393	5249	3596	4868	5277	0	2595	8896	8786	9441	6339	6219	17947	4514	2902	11435	6469	5526	21739	14403	7509	11599	7880	10718	0	9480	7699	3805	4513	3960	6624	5146	10449	6466	13486	2962	0	9608	0	Phytochemical	0.22222222	1.1481482	0.037037037
20	C27 H31 O6 N1	466.2224	466.2229	-0.15928899	466.22235	8733	5567	7785	4221	2731	1890	4764	4213	1387	7043	12616	3291	2009	3143	2424	9828	5821	0	3545	9237	10869	4033	3396	4806	4887	30078	2543	9551	4210	4120	3097	3616	2741	4126	5784	2670	3081	0	5069	9635	15421	3606	0	0	0	4108	5893	0	4444	5779	5917	3448	3707	0	0	0	3746	5235	3322	5638	5125	4810	0	1712	1641	1674	3424	5195	23161	25756	36407	3913	4685	0	3591	4499	0	2881	6467	7399	3597	4449	3370	10214	3005	2527	8005	3747	3344	14426	5227	6678	10549	5283	5994	0	3234	5630	2601	2005	2473	3986	1539	3570	2855	5248	4926	0	4846	0	Phytochemical	0.22222222	1.1481482	0.037037037
24	C27 H31 O6 N1	466.2224	466.22287	-0.17431216	466.22232	7541	8077	9112	7139	5160	2776	1527	6535	1552	10187	21640	2170	2404	5842	3310	6473	3646	0	5757	18243	17687	7948	3913	7906	4449	44592	2421	23643	5389	7823	4735	4193	4681	6121	9010	3942	7732	2660	4303	16174	26629	3878	0	0	0	9001	13184	0	5432	5076	7746	8941	5137	0	1969	1989	2295	6203	2817	4924	8955	10454	2021	2076	2757	0	7719	6544	41829	33622	42217	6530	5562	5544	3130	6133	0	3043	6967	6200	4351	5601	4181	15503	3724	0	8543	3762	5390	9772	7674	7341	13771	6427	6458	0	8377	9375	4797	5930	4896	6770	2813	7360	7170	6284	3381	0	6838	3016	Phytochemical	0.22222222	1.1481482	0.037037037
4	C21 H31 O7 N5	466.2296	466.23056	0.08858543	466.22968	2053	1237	1986	1410	551	2214	564	1298	744	0	0	856	4348	550	1621	0	0	1159	1111	0	0	1532	1810	1645	831	0	0	11600	0	655	659	1659	1910	1176	0	1545	2803	1239	1445	0	0	870	0	0	0	0	0	0	0	1317	1673	1022	754	0	764	760	391	2029	0	0	1491	0	700	694	0	2927	745	2245	0	0	0	1076	1229	1712	0	1041	0	1022	3740	36735	896	0	721	0	1054	572	7641	0	654	4685	19209	8508	2498	2642	0	0	1525	1040	642	1937	1624	1594	1021	0	0	1287	0	0	1690	3182	Peptide	0.33333334	1.4761904	0.23809524
6	C21 H31 O7 N5	466.2296	466.2301	-0.057357147	466.22958	5500	3026	2497	3896	947	2268	1294	0	1663	1908	1707	1584	3160	2604	1797	4153	0	1594	1605	2138	1550	5267	2210	5287	2774	0	0	24915	2672	9836	2139	0	2636	3925	0	2292	2350	1948	0	0	0	766	0	0	0	0	0	0	5422	2807	4277	3070	1709	0	1499	1795	0	4828	0	526	0	0	0	0	0	1636	0	2583	0	0	0	1415	1630	3836	0	2696	0	1545	1442	445116	1199	554	723	0	0	0	2160	0	542	7178	61944	27695	6322	12625	2970	0	3157	3461	1132	1371	1926	3407	1038	1720	0	2823	2114	0	1547	2440	Peptide	0.33333334	1.4761904	0.23809524
0	C19 H35 O10 N3	466.23953	466.24026	0.15981896	466.2396	0	1736	0	0	0	0	0	2226	1003	0	0	0	3498	0	0	0	0	3329	882	0	0	1476	1246	1868	0	0	0	1702	2817	0	1559	0	2894	2417	0	3202	1428	994	0	0	0	1791	0	0	0	0	0	0	1599	0	0	0	1211	0	829	335	0	1780	0	0	0	0	0	0	1143	4448	2433	0	0	0	0	2091	4627	0	0	1538	0	1298	1135	10102	0	0	0	0	822	0	0	1424	1414	1100	21608	11521	1718	0	0	0	2528	0	0	659	0	0	0	0	0	2229	0	0	0	3257	Peptide	0.5263158	1.8421053	0.15789473
28	C24 H35 O8 N1	466.24353	466.24405	-0.13406315	466.24347	9183	7617	7970	6436	8419	3292	3835	6209	7131	14639	8027	3392	13156	5628	3471	9187	4816	7558	14864	16481	17988	5359	6578	7696	4768	27059	2908	7920	4630	5301	5088	5752	9116	8094	15313	5314	7595	2998	5308	10226	7249	3847	0	0	0	4280	8141	0	6172	4723	8730	5491	5283	0	9898	6867	3266	6447	1770	2132	8022	4561	8642	5799	3321	9268	5760	6857	22588	38375	38850	7568	4809	5266	5738	5573	0	3046	6951	2145	4139	4222	3298	6723	9986	3935	6908	2715	4441	6796	6064	8204	5909	2631	6098	0	8498	7178	3199	9094	7911	9378	2660	5948	3632	5628	2926	0	3738	9089	Lipid	0.33333334	1.4583334	0.041666668
12	C24 H35 O8 N1	466.24353	466.24417	-0.14805658	466.24347	16660	21480	20151	18688	10347	12781	23560	41690	8608	23408	8517	16289	12027	5561	22033	22645	25576	12744	16813	34158	27696	20089	20106	26735	21339	20980	17100	12446	31083	19791	27017	25758	37885	23861	33833	30848	26181	13868	30837	26066	13764	11132	0	0	0	25473	11889	0	27657	20833	24829	21848	12035	0	14660	7532	7332	31699	8922	12718	17369	10078	13574	6994	5208	14197	15689	30380	21469	28006	24681	19451	23741	30460	22842	22728	0	20039	11823	0	12564	8953	11266	15284	11133	7093	19226	7866	12915	48677	26899	25032	44149	9838	16055	0	20387	19540	7119	4698	7967	31134	15288	24367	0	24080	8480	0	19057	9758	Lipid	0.33333334	1.4583334	0.041666668
10	C24 H35 O8 N1	466.24353	466.2442	-0.10553573	466.2435	21448	19786	20987	18014	6800	7937	15170	26663	7117	24082	8779	16882	7350	4603	19184	23149	15814	8450	16074	40656	27812	36548	11552	28692	20997	11605	13579	10708	27109	22684	26842	28989	37161	20058	31570	25674	28223	12976	18646	25307	12312	10465	0	0	0	22186	11221	0	27907	22490	20715	22403	8089	0	8373	3700	4378	29418	3237	5894	22756	10123	8942	7082	2882	7066	14707	20216	0	25337	15420	26491	21930	26479	17140	28448	0	18248	12720	6414	12555	4647	6934	13046	6923	4683	11215	8872	10729	37872	45425	21859	38764	14640	27489	0	20118	21772	5045	3603	6456	29747	16426	28414	0	26926	4151	0	13215	6895	Lipid	0.33333334	1.4583334	0.041666668
20	C21 H39 O10 N1	466.26468	466.26544	-0.36635014	466.2645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13467	0	0	0	561	0	366	0	0	0	0	0	0	0	0	422	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.47619048	1.8571428	0.04761905
2	C21 H39 O10 N1	466.26468	466.26578	0.075377814	466.2647	0	0	0	622	0	0	3152	0	0	0	1429	0	0	0	0	0	0	396	0	0	0	0	0	0	0	0	1738	1878	0	0	0	0	0	0	0	0	0	0	0	0	2009	0	0	0	0	0	1919	0	0	0	0	0	0	0	0	442	795	0	0	0	0	1334	0	0	57554	0	0	0	5380	0	3349	0	0	0	0	0	0	0	0	12048	0	0	0	0	0	0	338	0	0	0	7012	1320	0	451	0	0	0	599	1106	0	0	0	0	0	278	0	0	0	343	0	Lipid	0.47619048	1.8571428	0.04761905
4	C22 H35 O6 N5	466.26602	466.26648	-0.39206406	466.26584	0	0	0	0	0	769	0	0	0	0	0	387	308	0	0	0	0	399	349	0	0	0	0	0	1240	0	2147	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	559	0	0	0	0	0	0	0	0	0	0	0	0	0	0	382	0	561	0	5353	0	0	0	0	0	0	0	0	0	0	24690	4682	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.5909091	0.22727273
6	C22 H35 O6 N5	466.26602	466.26636	-0.09878096	466.26596	0	0	0	0	0	0	868	0	0	0	0	0	0	1356	0	980	0	0	0	0	0	0	0	0	831	0	0	2523	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7622	0	0	0	0	0	0	0	0	0	0	28184	5538	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.5909091	0.22727273
20	C27 H40 O2 N1 S1 Na1	466.27502	466.27594	0.3061624	466.27518	0	0	0	0	1902	2243	0	0	0	0	0	0	0	23607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1336	0	0	0	0	0	0	0	0	0	0	0	0	0	7706	0	8243	0	0	1249	0	0	3106	5855	10615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1463	2825	0	0	1578	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15177	11698	0	1260	0	0	0	Organosulfur	0.074074075	1.4814814	0.037037037
24	C23 H44 O3 N3 S1 Na1	466.30737	466.30774	-0.3147198	466.30725	1038	0	0	1275	0	0	0	1783	0	0	0	19733	0	0	21018	8554	0	0	0	0	0	0	22955	0	1532	0	0	0	0	2135	0	0	0	0	0	0	0	24505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5929	0	0	5564	0	0	0	0	0	0	0	0	0	0	0	0	3098	0	0	0	20244	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1173	1276	0	0	0	0	20392	0	0	0	0	0	5738	0	Peptide	0.13043478	1.9130435	0.13043478
22	C26 H43 O6 N1	466.3163	466.31683	-0.1588719	466.31625	3045	2434	4621	4203	4147	0	8342	3529	3046	0	2016	9000	0	0	9029	8008	6510	2578	4910	0	2032	0	4016	3838	4767	2714	5973	0	4108	6670	4677	6649	4451	3158	0	9044	3699	7875	10276	0	1949	1590	0	0	0	0	0	0	5159	5244	2735	1706	2385	0	0	2382	1659	7238	1079	3637	6862	1084	0	0	1434	3086	2791	12273	1628	0	5270	2422	4548	53086	11567	9052	0	8337	2251	1380	2425	1316	1869	0	4096	3121	5597	2694	1784	4756	3205	0	2407	0	0	0	4482	3535	0	4973	2804	10315	6510	2450	1643	3510	4090	0	2942	0	Lipid	0.23076923	1.6538461	0.038461536
28	C26 H43 O6 N1	466.3163	466.31677	-0.13824727	466.31625	6697	3188	8101	4512	4767	1850	13186	25110	3390	0	4870	7481	0	1140	6207	15246	7955	0	3767	2989	0	2221	3412	4846	11707	4027	9030	5575	15462	26679	14733	9762	9237	10199	1695	15613	6634	9628	8592	1593	1967	2943	0	0	0	2536	0	0	18697	25066	4948	4974	2880	0	5436	4653	2591	13772	6158	3789	14388	2277	2586	1318	1734	2922	5466	9976	5257	2912	2135	11716	8535	15539	6093	14645	0	11978	5510	3627	3809	1849	6251	2915	6095	4001	12030	2537	2758	4536	3972	5798	0	3284	0	0	5035	4484	2673	7061	11558	9873	9514	6960	2376	7415	7012	0	9519	1530	Lipid	0.23076923	1.6538461	0.038461536
20	C26 H43 O6 N1	466.3163	466.31674	-0.13369487	466.31625	0	0	0	0	0	0	5108	0	0	0	0	1667	0	0	0	0	0	0	0	0	0	0	0	0	1557	0	45609	0	1847	1988	0	1443	0	0	0	0	0	0	2200	0	0	0	0	0	0	0	0	0	1676	0	0	0	0	0	0	0	0	0	0	1124	2215	0	0	0	0	0	0	2096	0	0	0	0	0	9307	3647	1995	0	1994	0	0	0	0	0	0	0	0	0	1175	0	1859	2301	0	1979	0	0	0	0	0	0	0	0	0	1197	0	0	0	0	0	0	0	Lipid	0.23076923	1.6538461	0.038461536
10	C20 H18 O13	467.08203	467.08276	0.035779133	467.08203	13600	14900	13742	11170	31997	9174	1358	1154	36563	10345	16759	7890	50411	6653	3994	3754	2314	28128	29451	5732	15522	23579	10272	2858	1068	0	2443	0	1489	1188	2775	1188	6470	0	20840	953	3506	6310	2782	4694	14460	8916	0	0	0	5458	29428	0	3006	2181	10153	11449	15225	0	23169	32747	15547	4036	0	5960	0	5652	62869	32916	12019	37078	12759	5464	0	1390	4361	2116	1875	0	7967	1737	0	3779	8435	8635	9607	11484	0	0	43022	11475	7688	13316	9768	7056	0	2713	3253	30057	14069	0	13117	10328	35352	53777	42131	2828	5312	3577	14768	3989	27641	0	1547	57270	Phytochemical	0.65	0.9	0.0
18	C20 H18 O13	467.08203	467.08267	0.08642876	467.08206	38182	43568	50526	33574	107790	57908	5712	5924	110810	25458	25192	13360	227218	43470	19416	4902	4342	109254	94824	25656	35790	80064	33190	9332	1751	0	3074	0	0	3412	5498	7266	13782	0	49438	0	13418	21142	4774	23522	30122	21864	1998	0	0	52944	91784	1172	0	0	34288	45584	42256	0	101224	107476	37750	7350	8816	5282	6440	35604	211984	127640	37332	108458	33344	5674	9032	7326	8494	7430	5206	0	5432	0	0	14776	37546	45058	32446	85808	2318	4958	100984	42278	22988	29420	27598	7796	8348	17834	13704	79106	55912	0	35578	33462	82732	110598	83196	8942	10600	10844	86458	9816	82490	0	2838	191608	Phytochemical	0.65	0.9	0.0
22	C20 H18 O13	467.08203	467.0828	0.2620167	467.08215	6232	6988	4319	5637	16737	7698	1436	0	16468	4255	3145	0	28486	5343	1546	1755	0	14631	12656	4464	5807	14793	4043	0	0	0	0	1810	0	0	0	0	0	1101	5848	0	0	0	0	3031	4942	2490	0	0	369	11242	19937	0	0	0	5152	7768	5903	0	20173	15955	3588	1499	2352	0	0	2518	27707	16386	4902	13604	3294	0	1568	2040	0	0	0	0	1201	0	0	1733	3617	6739	4218	10542	0	1515	17208	6241	2910	2662	3683	0	0	3747	0	10965	10683	0	4204	3977	11583	16688	14161	0	0	0	13089	1374	13799	0	0	33857	Phytochemical	0.65	0.9	0.0
12	C20 H18 O13	467.08203	467.0827	-0.02407855	467.082	27805	33266	30426	25805	47895	24395	3605	5856	66088	18759	28843	13517	86909	13194	13250	7141	8888	51921	52176	16330	31315	63009	19853	7495	1231	0	3431	0	1549	2629	4842	4822	10370	2711	37465	1490	9212	12602	6778	10078	30626	18736	401	0	0	23919	79347	0	3328	6439	23412	26993	32891	0	54838	56617	23568	7723	4908	8122	0	18835	122912	66524	19289	68274	22582	10366	0	0	7826	4228	1689	1523	6444	3416	0	12324	25907	22508	21263	30829	1998	1208	59311	20383	15369	19016	20388	10002	2623	7499	7307	77309	25565	0	27190	24015	59766	78879	64229	11943	8971	3557	42922	7573	56294	0	4099	95589	Phytochemical	0.65	0.9	0.0
24	C20 H18 O13	467.08203	467.0827	0.29010907	467.08215	2228	2562	3525	2905	9575	6855	0	0	8656	1887	1277	0	17543	4172	2182	0	0	9438	5899	0	2815	5433	3516	0	0	0	0	1083	0	0	0	0	0	0	2128	0	1290	1672	0	1192	0	0	0	0	0	3792	9758	0	0	0	4037	3360	4742	0	9401	6653	2696	0	0	1118	0	4896	13800	9564	0	6941	2031	0	0	2090	1783	0	0	0	0	0	0	1738	1808	2007	3407	6939	0	0	11741	5685	2670	1840	1439	0	1634	3211	0	7149	5965	0	2496	1990	4849	5809	5672	1359	867	0	7884	1518	7312	0	0	20567	Phytochemical	0.65	0.9	0.0
14	C20 H18 O13	467.08203	467.0827	0.028756376	467.08203	41478	34111	27589	32382	76109	35208	5055	4840	96340	25287	28229	11444	137705	21524	15379	7084	10851	77056	61349	13110	37948	77182	27831	5399	1842	1401	7110	0	3035	2766	2610	0	15490	3896	44606	2345	11410	16476	8631	8726	26426	21838	0	0	0	32142	96948	0	4822	4933	34432	27802	38391	0	78550	69607	33543	5229	10779	17922	0	23039	146876	89175	33789	89132	30087	8885	0	2322	13372	8268	2158	1663	7684	5834	0	9147	27157	38570	24992	45986	2583	3769	82772	30049	26902	30052	25872	10206	0	8864	11521	99939	45745	0	37853	23312	74213	98990	89345	8925	15424	6293	63302	12115	57749	0	4729	118672	Phytochemical	0.65	0.9	0.0
20	C20 H18 O13	467.08203	467.08273	0.10848213	467.08206	8518	14517	6751	8240	22946	15908	2046	1794	32898	8574	5466	4204	61140	12674	6414	3439	0	33288	27038	3841	10352	23944	6153	3017	0	0	0	3277	2037	0	0	0	3924	0	9116	0	3839	3330	1292	5568	6434	4693	658	0	332	17662	78942	1029	0	0	12940	10889	19571	0	28581	29209	11280	2177	4531	3954	1571	7738	58267	32026	6022	34734	10907	1534	2979	0	4464	1436	0	0	0	0	460	4129	8076	13703	7616	19388	1832	0	31630	14550	6203	5510	7170	2492	2337	8593	4393	22858	17185	0	11150	9241	27165	34253	25876	2821	5217	1770	28146	3409	28256	0	3302	65899	Phytochemical	0.65	0.9	0.0
8	C20 H18 O13	467.08203	467.08286	0.030495474	467.08203	5272	5678	2642	3116	12790	3852	0	1312	15873	3367	5340	2216	27854	2662	1693	0	1415	8959	9350	1464	3414	7069	2486	0	0	434	1092	0	0	812	0	1408	0	0	5597	0	1733	1986	2236	0	2661	2546	0	0	0	2542	5967	0	0	821	4711	4738	4706	0	8378	14111	5202	0	0	997	0	1265	28731	12727	5582	17446	4445	1339	0	0	1642	0	0	0	1107	0	0	974	4302	0	3104	1941	0	0	18558	3869	3164	3419	3664	1572	0	0	1716	8415	2431	0	4242	1871	15836	25355	20563	0	827	0	0	935	12427	0	0	22659	Phytochemical	0.65	0.9	0.0
12	C19 H18 O12 N2	467.09326	467.09402	0.11782558	467.0933	6374	2446	5605	5610	9619	2445	0	0	9995	3276	3856	3341	12691	1263	1099	1721	0	8712	8277	2720	8154	17960	2273	0	0	0	0	0	0	0	1103	1325	3685	0	7284	0	2786	2367	2849	2218	9236	2185	0	0	0	6381	30515	0	0	0	2891	4874	4787	0	12636	10287	2209	1423	0	0	0	6589	29299	12687	2493	10065	3747	4546	0	0	0	0	0	0	0	0	0	0	1969	0	1567	10640	0	1076	9111	2786	0	2754	3887	0	0	1824	2553	18619	3452	0	4446	4428	7159	10783	8918	2726	1821	0	0	4214	6363	0	0	20566	Phytochemical	0.6315789	0.94736844	0.10526316
14	C19 H18 O12 N2	467.09326	467.09402	0.096785754	467.0933	2245	2000	1863	3924	6395	1924	0	0	8889	2159	0	3782	21628	1759	1399	3116	0	10037	7496	0	9990	13800	2278	0	0	0	1079	0	0	0	1364	0	0	0	4802	0	1680	0	1582	2860	11824	3724	0	0	0	5120	28915	0	0	0	4572	3569	3912	0	9111	6229	1788	0	0	0	0	7143	16806	9252	3362	11389	4048	2093	0	0	0	0	0	0	2611	0	0	1242	2638	0	1192	11561	0	1636	11696	0	2366	0	2913	0	0	2345	3823	17693	7300	0	2775	1828	4857	10568	5510	0	1603	0	20507	1428	4210	0	0	17224	Phytochemical	0.6315789	0.94736844	0.10526316
14	C24 H18 O10	467.09726	467.09796	-0.058428034	467.09726	2897	5151	3979	5248	5444	0	0	1586	5281	20761	16796	1661	4790	3399	0	0	0	5781	6921	14392	14938	11598	2063	0	0	11510	0	0	0	0	0	0	1801	0	30457	0	0	0	0	5422	9398	1882	0	0	0	4097	10089	0	0	0	3582	6040	2018	0	4337	3966	1904	3686	0	0	0	2450	6200	2871	2670	6108	2585	1868	13715	17587	28672	0	0	0	0	0	0	0	2052	0	3692	6577	0	3364	5200	3741	4359	0	3228	0	3360	0	2884	8133	11980	0	5812	0	8352	8976	5754	2151	1418	0	0	0	5049	0	1425	5187	Phytochemical	0.41666666	0.75	0.0
24	C24 H18 O10	467.09726	467.09778	-0.062438816	467.09723	11149	11016	9698	9189	16046	7270	3428	1552	20847	35016	15038	2955	18771	5111	1694	1941	1816	17737	17548	20306	18936	31025	5788	1802	4411	20253	1561	8430	0	0	1551	0	2838	0	47319	0	1479	5005	1733	14324	10406	4452	0	0	0	13093	19392	0	1398	0	9747	7409	10053	0	16571	16011	4899	3327	4231	1833	2700	7011	32759	19591	4528	17384	8926	2133	21541	23973	38821	1290	0	0	0	0	0	1469	15576	21608	10191	13496	1914	9389	29446	8348	5432	4539	5311	4064	3553	3880	2673	29640	37241	0	10526	7396	15416	18323	17226	2092	1351	3380	11837	2812	15123	0	6102	18925	Phytochemical	0.41666666	0.75	0.0
22	C24 H18 O10	467.09726	467.09784	-0.04264749	467.09726	13221	23249	15778	16209	25138	11752	4245	1821	32576	60315	33420	3526	29577	14317	5682	5600	2209	29890	24822	31366	37677	40306	5088	4065	2512	39781	3994	17943	2859	1111	1982	0	4873	1664	71064	0	6113	4800	2951	27803	22169	5753	0	0	0	23946	31746	0	1855	1967	17248	19350	20075	351	26240	23410	12462	5837	4648	4635	6013	14795	37048	21139	11862	30082	12356	2726	36265	46770	67014	2659	1334	0	1040	1871	0	2847	17938	25645	15199	22905	6561	20082	34467	18104	12615	11079	8138	4855	5072	10292	3454	51647	60266	0	15186	10893	28773	36046	21690	3757	4069	7296	20541	4945	24332	0	5984	31102	Phytochemical	0.41666666	0.75	0.0
18	C24 H18 O10	467.09726	467.09787	-0.001267843	467.09726	22059	23213	20472	22492	23919	10735	3817	3584	27978	84806	50399	4636	29124	15906	7575	4248	3290	26723	26736	51930	43176	46223	6260	5632	4059	44909	3850	26089	0	0	1918	0	5219	0	103059	0	3423	6360	3033	21882	28311	6328	760	0	0	28004	38599	0	5199	0	16046	20002	13872	0	22138	23935	11629	9093	4970	4707	4515	22347	43791	15690	12579	22155	10683	2617	40711	45041	61178	0	1213	0	1675	0	0	0	12865	33331	12794	31526	4358	17694	32823	19136	13625	8249	11475	7229	10246	12585	8869	55032	73923	0	19693	15920	27800	32278	27685	5282	2974	4317	16518	4732	17354	0	4622	33656	Phytochemical	0.41666666	0.75	0.0
26	C24 H18 O10	467.09726	467.09775	-0.1460323	467.0972	6837	5423	4687	5069	11466	3501	1524	0	13733	23660	6798	0	18810	6477	0	0	0	17031	14669	9349	11256	22526	0	0	0	14054	0	2678	0	0	0	0	1668	0	28011	0	0	0	0	5841	7218	0	0	0	0	7122	10558	0	0	0	6278	6673	5539	0	15866	7819	3778	0	0	0	0	4112	15687	8554	2753	8005	2475	2095	13617	23334	26049	0	0	0	0	0	0	0	7794	13179	6721	3171	0	5519	13143	0	4605	4476	3501	2394	1568	2679	0	21025	34841	0	4943	8935	10123	13005	9751	0	0	0	6106	0	8722	0	2722	16526	Phytochemical	0.41666666	0.75	0.0
18	C19 H19 O5 N6 S1 Na1	467.1108	467.1113	0.3098655	467.11096	3953	5110	2970	0	2623	3112	0	1835	1279	5635	1681	3941	0	988	2640	3495	0	4225	0	2487	3279	2956	1696	2983	0	2167	0	0	0	0	2013	0	3039	0	3516	0	0	0	2138	2741	4311	132459	0	0	0	0	3544	0	4227	0	2211	0	1987	0	2128	2852	1713	6115	2317	1814	2339	1514	2439	2453	0	0	0	0	1357	2155	0	3055	0	0	0	0	0	5678	2770	0	0	1610	0	3011	1715	0	2396	0	1274	0	0	4518	3669	4192	4886	0	1960	2846	1612	0	0	3264	8054	2100	3020	3514	1152	0	1287	2271	Peptide	0.2631579	1.0	0.31578946
14	C20 H22 O9 N2 S1	467.11188	467.11273	0.33918062	467.11203	7725	14427	0	9282	18312	4059	0	3849	10980	19221	6180	0	8097	0	4209	0	0	11804	12312	0	18187	22092	0	14538	5619	6594	3969	0	5898	0	7408	0	11274	5802	26229	6015	0	4584	0	17676	14361	3783	0	0	0	13751	0	0	0	7491	0	9312	7389	0	14325	6935	4824	5352	0	0	0	23168	7839	8259	3894	15321	9506	4203	0	11409	9441	3888	3693	0	0	4092	0	3906	14594	0	5691	10736	10005	15732	13968	0	6770	11058	4521	27555	0	22056	21309	11427	16194	0	0	0	4914	0	0	0	4326	10593	0	7665	8032	0	5667	17850	Organosulfur	0.45	1.1	0.1
8	C21 H22 O12	467.1184	467.11914	0.007106579	467.1184	23971	22943	19869	25544	20987	11002	7938	11001	30340	50317	36855	13711	33787	8353	13798	15291	16475	24026	28842	30552	40558	33701	14795	12048	3206	6943	8208	10299	9017	7185	9651	9120	10239	8430	52327	10456	11108	11344	15948	22873	33595	11228	0	0	0	26365	58439	0	11454	10277	20500	19328	15266	0	26769	25161	13333	10998	9823	17649	10280	17368	43634	23346	13492	23325	14119	19705	14618	12290	34111	12725	13259	5500	12026	10868	0	9221	21084	15501	16619	21603	6100	7802	32031	11744	17897	13974	13098	20127	0	14517	11301	29870	30896	0	23041	23562	30908	31607	34668	13053	9312	16220	24900	10955	24940	0	8262	38297	Phytochemical	0.5714286	1.0476191	0.0
14	C21 H22 O12	467.1184	467.11905	-0.004814727	467.1184	182975	189577	175343	178685	193873	152093	79646	120684	253701	346073	207867	99156	559688	90361	115307	93424	68784	250217	244035	286156	292019	413856	128399	122876	63113	65213	66771	107375	89700	92175	92155	107779	131853	82841	484920	88243	125989	100212	79710	406602	214024	89008	4162	0	0	700154	530637	0	101284	93693	185975	179682	134784	237	268369	154437	99388	120192	150604	101820	120805	385940	670936	237340	88674	209441	123802	72703	143615	116808	165180	103818	98287	75981	62577	93010	0	92672	139881	185756	118893	640374	68395	91298	177874	110433	112893	93743	114472	94969	82608	119277	123501	289249	262736	661	188439	191615	187712	153737	149241	114638	97392	124076	436544	103167	150846	405	70505	286067	Phytochemical	0.5714286	1.0476191	0.0
10	C21 H22 O12	467.1184	467.1191	-0.005301677	467.1184	62552	59011	57571	56679	56026	35080	27137	36036	81526	144664	97837	40210	183036	27719	28203	40971	36834	78230	75720	90899	211406	108817	46104	40220	12031	18818	28508	36320	26065	30019	30792	36953	46054	31358	322004	31283	37348	35443	43584	67145	88447	30694	856	0	0	85351	312396	0	36606	32118	62881	62356	46580	0	77299	115632	31554	42482	33759	40493	50298	50351	199748	140538	33960	69589	42133	48762	51108	36461	64838	33400	31525	27481	29762	30022	0	28603	56799	55013	54494	144036	16897	31343	82130	38448	49259	29941	32056	49701	20495	29664	44898	212258	96319	0	62898	65177	78277	131150	70371	44741	30936	40025	115997	33545	60010	0	24909	187722	Phytochemical	0.5714286	1.0476191	0.0
18	C21 H22 O12	467.1184	467.119	-0.038041227	467.11838	115146	110648	113629	107400	124958	107043	38321	66694	152312	198631	85028	51928	244283	64103	74372	49841	27570	198769	176917	172413	171942	194097	77673	71084	43465	41192	27913	53122	63726	51717	60659	48915	77395	49137	216935	41273	77201	65537	32989	120276	105809	169421	3925	408	0	251522	250966	631	67667	51035	108793	104471	99851	334	200900	102767	67944	60832	74230	38458	59253	119915	233720	140970	56166	137301	84051	34178	67239	85371	73695	68286	48620	52199	33922	50773	540	75059	82142	94014	73641	256165	34924	63329	124490	80369	57674	43215	71863	35389	52124	89951	73270	134090	148898	583	113007	101587	110330	94300	86424	58186	49009	58235	201451	57775	103460	0	35332	225499	Phytochemical	0.5714286	1.0476191	0.0
22	C21 H22 O12	467.1184	467.11905	0.11695241	467.11847	20855	18759	15625	17758	27556	17732	6392	9296	32681	29420	12745	9332	48701	10378	12785	7951	3249	41146	21285	30196	28337	33194	13346	10261	8034	0	3146	8177	7968	6307	9492	4498	10581	10367	31994	8416	13971	12349	4718	22809	16606	6528	0	0	498	54268	72065	0	10737	5612	20703	11867	18266	0	41207	20445	11773	7242	12408	4845	9127	23209	40932	30540	12855	20760	12142	4575	9975	16169	17897	12779	5272	10562	2302	7646	592	8455	14660	20535	14487	58275	4566	13471	24103	17014	10472	5284	11536	3190	11226	14944	9565	29535	28880	0	18927	15786	20731	18767	17698	7129	10387	10907	66729	9763	19782	0	9180	50165	Phytochemical	0.5714286	1.0476191	0.0
24	C21 H22 O12	467.1184	467.11902	0.14124662	467.11847	7244	9493	5611	8481	8225	8816	1657	3156	12055	18499	5591	2188	23298	3666	4105	4175	1685	16006	10256	12245	12794	11130	6454	3966	0	6171	2103	1967	1353	1438	2704	1353	5642	2067	12086	2179	2218	3213	2337	9058	8842	0	0	0	0	21876	32496	0	2662	1453	8059	9060	5770	0	13081	9120	3465	3421	5729	2409	3273	10720	18031	9729	5161	13245	2471	1575	5187	9617	0	3649	4525	2214	0	1755	0	2572	4515	6314	4354	22089	2388	4063	10366	7480	3500	0	4441	0	6654	6346	4141	11926	11879	0	8278	5607	9078	6406	5891	0	1410	4234	24464	0	8603	0	0	23096	Phytochemical	0.5714286	1.0476191	0.0
14	C20 H22 O11 N2	467.12964	467.13028	-0.045318753	467.1296	52164	61340	51518	56448	32464	30216	27079	41995	51844	75166	33913	31102	70945	12568	43257	37534	36433	56950	53247	57078	88018	113527	42206	37714	21567	5443	28568	25201	41295	38894	38209	35922	56880	37499	96127	35392	50126	32481	38935	74005	83414	35718	0	0	0	94639	133894	0	39670	45024	46579	49315	34734	0	73892	35571	26825	44277	60415	38182	41064	64263	82588	63932	23273	50611	39908	37338	15034	20713	26787	37571	37633	33955	37400	28852	0	36139	38845	39069	33615	81034	20442	23806	38551	28721	33529	32403	37299	58795	23360	40783	59425	66618	65268	0	50173	51713	25821	32670	31587	53030	37870	42237	122530	55482	32846	0	21297	86658	Phytochemical	0.55	1.1	0.1
6	C20 H22 O11 N2	467.12964	467.13043	-0.006712119	467.12964	11509	13673	12861	12487	10145	6005	4103	10901	14166	14820	12974	10555	19045	2684	5364	11121	11929	13238	17930	13773	22293	22128	7890	12642	1600	1049	3623	3233	6731	7825	11137	9588	14614	6799	26212	6968	12292	6400	16135	11990	29723	9071	0	0	0	15016	38157	0	9301	10445	12756	14443	9396	0	16487	11278	7634	11376	7899	13412	14134	12398	25199	17721	7372	16163	10530	15794	4432	3520	6052	8137	8481	6816	8938	6997	0	6166	8417	6860	8088	10243	3793	2983	16746	7158	8112	10387	8444	18712	5328	6556	11703	19337	12749	0	11033	12542	9571	14725	17430	11722	7930	9630	19246	8840	9409	0	5206	27750	Phytochemical	0.55	1.1	0.1
18	C20 H22 O11 N2	467.12964	467.13034	0.14494176	467.1297	49740	26787	40785	32370	36987	23784	21900	30732	41607	56121	21252	25647	53379	7659	32334	27000	15735	72177	46971	34353	59232	107688	39366	27834	29361	0	20166	9942	30141	33822	34548	22098	30633	28266	67251	36777	44187	31890	34956	63687	42291	24452	0	0	0	88715	112721	0	28485	22785	26085	34689	26502	0	66897	28521	28497	18024	37428	21285	31200	51255	83919	37185	28389	45570	26325	10785	7815	12237	17678	29637	29772	25179	25539	30495	0	26913	32784	51374	23508	75291	14151	18897	37770	32274	35616	31118	38820	22938	18885	36585	66294	55962	49698	0	40866	31998	21492	24354	15486	30573	31359	25704	83586	31833	24294	0	22317	64155	Phytochemical	0.55	1.1	0.1
12	C20 H22 O11 N2	467.12964	467.1303	-0.031791605	467.1296	62067	65927	67572	55033	43800	36463	38311	65287	58941	73667	60000	49599	82234	16353	47190	48173	67475	72153	75269	72919	107951	160688	62038	56426	23733	8958	31662	12346	53260	38240	54499	45749	69660	47090	142338	50077	60720	50489	58231	103346	144264	38894	684	0	0	130644	200226	0	44439	51754	59979	69106	36272	0	81994	36967	34766	44240	61137	67621	53739	96070	113060	69175	29609	71600	41492	63222	22199	22789	33726	49169	46954	48385	37780	41370	0	43382	45241	51063	44905	102612	31411	35953	42664	29691	34164	37580	44404	73967	30023	58989	85633	94004	64507	0	69691	76912	41788	44701	39236	59499	44318	52950	150438	60632	40176	0	28120	109529	Phytochemical	0.55	1.1	0.1
16	C20 H22 O11 N2	467.12964	467.13028	-0.009583986	467.12964	25880	33253	25775	29785	24818	22038	15224	27434	27266	45982	19795	22539	43110	8462	27907	22669	20547	39188	31803	30807	35971	70224	33353	28461	12855	6215	14170	8588	18004	16844	25381	25267	37198	23188	58870	18324	28718	23453	24062	44334	40748	19097	368	0	0	59092	82154	0	27237	24285	30461	30832	21748	0	43851	21509	15682	26848	23372	20466	30050	43020	49573	31893	13872	34937	25984	16897	7972	10992	13659	23099	18783	22054	15263	15512	0	20504	27859	29845	17448	49945	13870	14151	25642	15383	25193	22852	19537	30320	12861	34820	44192	38119	35248	0	32667	24232	20205	19406	19399	33942	21399	23063	66425	33513	20391	0	16496	56314	Phytochemical	0.55	1.1	0.1
10	C20 H22 O11 N2	467.12964	467.1303	-0.051270094	467.1296	69116	64617	59630	52870	38998	24633	26412	54636	52125	77206	50158	48529	69995	13800	40567	50308	55785	61084	67320	68257	101963	112237	49947	59879	18428	7276	32556	21753	42042	44738	42901	47638	64250	41889	113937	40357	54276	36511	58482	82873	109904	36621	620	0	0	103262	185794	0	48651	49583	63024	61632	32870	0	68778	40408	25969	43414	55199	61266	49046	73635	85859	62388	23423	64622	38741	56151	24997	20906	31236	47844	45643	40885	38527	44628	0	32170	45223	40134	37652	76456	22281	26074	43829	24707	36069	39455	33442	57022	19104	43739	80792	83607	71705	0	63394	66608	36334	45573	37667	53988	41138	52797	150147	50134	33943	0	26885	87160	Phytochemical	0.55	1.1	0.1
26	C25 H22 O9	467.13367	467.13412	-0.12435704	467.1336	8973	7301	12738	8884	12112	5017	0	0	16478	29163	18722	0	15282	7228	0	0	0	11716	15234	17498	14344	18112	0	0	0	38270	0	12585	0	0	0	0	3099	0	35473	0	3635	2515	0	15050	13527	0	0	0	0	11354	17020	0	0	0	9141	7869	6064	0	14014	11945	9543	3556	0	0	0	9827	25070	11542	5456	11503	7075	0	44302	44769	61987	0	0	0	0	0	0	0	10337	15082	9678	11347	0	13050	22328	10758	6995	3811	3442	1740	1442	2235	0	20146	27832	0	7602	9595	8204	15489	13268	0	0	0	8440	0	13770	0	0	18486	Phytochemical	0.36	0.88	0.0
24	C25 H22 O9	467.13367	467.13416	-0.09519035	467.1336	18538	24102	20039	19615	22590	13006	6196	2819	26798	67762	46918	5194	34035	13566	6144	4649	2402	24781	23156	40466	44749	30826	10570	3540	4797	81042	3051	29872	2891	1712	3611	2353	5569	2107	80658	1780	5737	5722	3286	24067	32436	5907	0	0	0	28096	32537	0	3371	2538	22757	18817	20396	0	25913	20736	12771	5558	5126	4613	5410	21443	39649	22745	12625	24406	14893	4333	76402	84929	111243	3864	1507	0	1767	1716	0	3616	18240	26299	17989	19804	4427	22759	36602	12175	16327	6805	9156	5671	6924	12974	6111	40104	46705	0	23289	20939	21916	24370	30113	4028	3296	5005	20465	4652	24708	0	4503	31350	Phytochemical	0.36	0.88	0.0
28	C25 H22 O9	467.13367	467.13412	-0.12412797	467.1336	5371	5450	3937	4774	10141	2649	0	0	6401	16374	8916	0	10690	4019	0	0	0	7814	10825	5874	8638	7769	3089	0	0	11048	1567	5576	0	0	0	0	1416	0	17324	0	2004	1889	2097	5255	8184	2852	0	0	0	4193	8881	0	0	0	5701	4783	4000	0	7753	7308	3232	0	1711	1310	0	3181	12325	6105	1830	6868	2824	1124	23265	22130	32604	0	0	0	0	1128	0	0	5098	10977	4188	3489	1906	5387	9945	4132	4740	1313	1938	1855	2055	1541	2334	11551	14573	0	5102	5853	4917	7434	8009	0	0	0	3300	0	6350	0	1219	8784	Phytochemical	0.36	0.88	0.0
18	C25 H22 O9	467.13367	467.13425	-0.012197991	467.13367	37536	39377	30070	33329	34797	20268	9657	11295	36316	131681	93769	9893	49377	21409	13500	16076	5600	33360	49072	81789	86994	56172	16387	14868	16416	133418	8948	74107	9446	7596	7847	10726	15264	10565	162683	5275	20708	14222	11027	62403	51245	10591	1025	0	0	50432	45917	0	14062	6372	32095	37390	18727	0	32642	33701	16996	12271	12007	13532	11053	41268	45756	26127	17965	42807	21244	13576	109685	148970	184448	8742	5900	4431	8330	7236	0	10104	31724	41380	24218	46138	10098	46426	47387	23377	25250	16656	15377	20367	23926	24956	14535	51646	72431	0	36737	29525	39271	31685	32605	8229	7174	16180	28722	8810	29720	0	12102	44462	Phytochemical	0.36	0.88	0.0
16	C25 H22 O9	467.13367	467.13428	-0.041763034	467.13364	20486	16126	15281	21029	19167	7894	5476	3711	18043	69988	53050	5827	19431	11834	6378	8254	5999	16219	24972	51215	49807	28571	10449	5588	2093	70749	6714	31761	6144	5996	5458	4803	11099	4409	90246	9925	9148	5836	5413	29077	29821	5237	398	0	0	25092	34357	0	8084	6326	19047	16648	13200	0	16553	13150	9318	7584	5838	9564	0	17517	26038	14252	8977	12930	9393	6989	65136	83437	96302	7336	7592	3545	4079	5781	0	3060	15756	14285	15310	26677	8481	22105	22476	10538	16210	7749	7884	0	8407	15332	0	25397	34721	0	21872	14783	22171	17623	18129	9020	4755	9915	17337	0	13124	0	6010	21151	Phytochemical	0.36	0.88	0.0
22	C25 H22 O9	467.13367	467.13422	-0.05780088	467.13364	41641	40572	32537	39518	42128	22125	4094	8566	51464	136271	92923	7282	48444	30753	10974	11432	7568	47511	36665	85016	91313	57318	17338	9789	12855	149248	10436	71771	4906	3858	5178	6104	15266	5628	160790	5857	13800	9675	7939	56716	58804	17909	0	0	0	46881	59558	0	7300	5387	41888	34550	34939	339	40875	31065	21849	12939	11811	8291	8047	43889	60714	36495	20362	40699	18835	5781	135929	163467	173249	5742	2950	2046	3790	4513	0	8648	28677	45996	25782	48745	9041	52607	60352	29795	26449	17234	16617	14139	16217	18558	15700	74705	83327	0	37288	34373	55308	46014	41757	11083	7663	11819	41295	8993	40545	0	13611	55581	Phytochemical	0.36	0.88	0.0
14	C25 H22 O9	467.13367	467.13428	-0.09067129	467.1336	6890	12487	6375	7122	3026	2467	0	2832	8295	25156	16832	3347	2663	6915	3382	6635	4162	5461	6933	13836	18922	10132	3734	5629	2053	27614	4830	8898	0	1740	3900	0	2883	3272	33426	0	5383	4896	1680	9770	19725	2895	0	0	0	11187	14493	0	4058	5740	3384	5898	3841	0	4083	5820	2624	0	0	0	0	7964	7789	6519	2354	9341	4222	4257	33967	28700	38552	3720	2846	2402	3050	2854	0	2432	6941	0	6905	9572	4412	9792	7060	0	6997	3593	4070	7603	5160	4372	5843	7211	8960	0	8341	7927	9501	7067	6128	0	3590	3791	0	4209	6948	0	2053	10568	Phytochemical	0.36	0.88	0.0
20	C22 H26 O11	467.1548	467.15533	-0.052589636	467.15475	189746	186089	195825	175874	170053	179246	82278	174244	225582	414455	145514	93425	256604	102646	153139	130729	59741	256661	242353	370891	325305	210622	153759	155736	131560	150673	75183	103600	160195	136687	157839	141859	174831	135111	442159	133450	184054	113096	74091	284269	139717	95738	6641	1225	718	335821	233901	1206	165975	136564	193520	183817	141601	947	278851	131621	84334	137101	169091	63368	128669	178545	274374	182079	79622	174068	122622	67954	129067	306791	196316	167557	155746	156248	72481	140365	1035	133515	137689	101901	125733	225341	104075	166306	143969	111777	116386	77394	113149	76810	146994	157175	193804	125810	162185	1335	181259	187261	156713	121830	106789	136649	104326	142024	225551	136792	121364	1468	99193	323028	Phytochemical	0.5	1.1818181	0.0
26	C22 H26 O11	467.1548	467.15533	0.14680593	467.15485	7763	7970	8675	8949	6233	5434	1631	6242	7834	24707	0	0	14936	2741	0	9322	0	15285	8568	12487	16320	10651	5700	10992	0	0	1789	4567	5460	0	6476	4000	6026	4654	21895	0	7082	3075	0	9731	8467	0	0	0	0	13816	16974	0	7845	0	7112	9736	4941	0	12292	7615	3542	4426	5542	0	8650	8974	10201	7454	2373	7760	3093	2782	0	14246	9055	6252	6835	0	0	3530	0	3681	5451	0	5967	9927	3438	5400	6739	0	3896	2360	6099	1852	5621	9419	6073	5429	10257	0	8867	7095	5604	2869	8989	5669	3426	0	10317	4657	4571	0	2852	14256	Phytochemical	0.5	1.1818181	0.0
14	C22 H26 O11	467.1548	467.15546	0.004853102	467.1548	860352	826158	749536	802512	475878	450590	497346	365089	674546	1987942	955896	436120	738416	143290	289624	651352	453870	740086	695492	1574952	719860	1139164	618276	685098	457196	353142	411056	405125	601826	596084	633804	371286	367452	598944	2430824	636880	649996	563580	470542	1082864	950986	370136	8035	635	503	1320646	1279478	562	714598	670932	773646	759398	438474	936	792324	408930	335836	716098	438796	259666	385170	805116	754534	656132	313058	574434	414648	448402	389331	1135726	998876	677248	642372	710882	443828	642322	405	530946	613310	330263	606672	886678	507610	685056	536668	188297	513634	358088	441134	274946	284481	593856	707774	723982	450150	2038	877932	775718	566088	454076	405398	648770	496796	821462	590479	551696	445352	455	455924	697874	Phytochemical	0.5	1.1818181	0.0
6	C21 H26 O10 N2	467.16602	467.1668	-0.091305695	467.166	36757	30556	23703	29030	19120	12915	14050	32855	24148	42548	25008	19859	32951	7394	20432	36148	28894	26707	33982	39703	50199	54102	26066	37905	12173	4151	15642	11924	24334	25267	27074	29284	35374	25797	57293	25748	34073	18864	40324	32492	48785	18082	0	0	0	38677	56449	0	26400	31336	32688	33760	19305	0	32393	21589	13676	33253	21480	30305	34595	22718	39405	25275	13396	29378	23257	37385	7828	9506	16300	25453	27978	26339	15423	23522	0	17684	21450	17569	21706	20160	18561	12287	26529	16871	25706	17082	23975	42072	17811	30657	57763	30583	40805	0	36967	31591	12435	26652	27342	30358	19481	36647	33390	30943	15189	0	18081	41646	Phytochemical	0.47619048	1.2380953	0.0952381
20	C26 H26 O8	467.17004	467.1706	-0.08323646	467.17	91722	88989	81898	77841	91051	48516	33242	41964	95032	204409	168642	28894	98712	67918	49762	50959	39671	77301	92593	202710	196430	97334	44063	60269	38176	382745	28133	142593	40375	35022	36521	37482	50720	32943	235068	32572	41769	43147	39598	138305	140542	38161	3151	0	0	92023	87461	0	35812	33758	85213	85139	57506	0	77684	75215	46584	51084	40969	40812	52354	96825	101075	71153	44871	79545	56144	40170	297809	371986	466688	42541	30590	29636	29717	38925	0	32854	78962	74348	68107	66055	40714	143614	93668	55367	78338	43929	41542	67954	64619	59285	71929	83745	94559	798	84420	82105	80526	91375	79994	51513	33084	51068	64423	48491	69162	0	47321	99651	Phytochemical	0.30769232	1.0	0.0
14	C26 H26 O8	467.17004	467.17065	-0.083199576	467.17	6078	9439	7266	11776	8570	5651	9203	9692	6845	11368	12213	4872	4643	2892	5894	11136	6400	4363	7411	11258	14713	11243	7979	9453	5786	26369	5614	0	6984	5180	6445	9142	7164	6111	13429	6757	4806	7731	10001	7769	12411	5614	0	0	0	7794	11562	0	6545	5980	6651	9138	5047	0	5873	4860	2993	12652	0	12966	0	5952	6351	7798	4527	4091	2629	11607	16473	21136	38052	5238	5478	6771	7879	5930	0	5452	8265	0	11224	7757	7752	7894	6963	5078	11980	5176	7327	16743	5087	4602	6740	5003	11058	0	7878	8827	8310	5803	5812	9160	6691	12221	0	5951	5880	0	7950	5757	Phytochemical	0.30769232	1.0	0.0
24	C26 H26 O8	467.17004	467.17056	-0.058058675	467.17	48257	45069	41907	46435	55710	30290	10518	16580	58200	117174	111504	11852	73008	34275	21841	20203	14227	48739	59217	100444	112325	50470	26852	23631	22749	215095	7556	90870	13815	13678	15217	12266	24042	13521	141708	13064	23703	15941	15138	76291	84460	22370	0	0	0	56675	68045	0	16748	14776	51132	45079	40234	0	50140	47706	22189	24430	16759	20515	17385	53858	68971	44158	24171	61402	33245	11088	203820	223860	264042	16282	12565	9842	8299	12947	0	12949	42554	40823	33674	45840	17673	63724	69573	33905	39094	24655	23776	22250	24603	30281	28746	53242	62118	0	50232	38180	44213	55114	52894	16587	12968	27708	39228	24153	53266	0	16894	63605	Phytochemical	0.30769232	1.0	0.0
28	C26 H26 O8	467.17004	467.1705	-0.10240268	467.16998	8105	6744	6757	6510	7719	3536	1968	2796	9159	18309	11726	0	12740	4391	0	3624	0	7002	9590	12177	14420	9089	4877	4447	3030	32633	2724	12081	0	3279	2530	1911	2630	1268	18532	0	3892	2786	2145	10845	14686	4327	0	0	0	5443	9375	0	2556	0	6252	6840	5562	0	9014	10900	2855	3583	2339	2528	3100	6417	12390	7872	2626	11643	4154	1973	37820	37492	60071	2229	1537	0	0	1015	0	1747	9307	10762	6330	3111	2252	7241	14154	3116	7092	4767	2735	3274	4060	3922	2929	11017	7963	0	6997	7518	8161	10674	12929	2636	2012	4551	4704	3814	6971	0	2991	10185	Phytochemical	0.30769232	1.0	0.0
26	C26 H26 O8	467.17004	467.17056	-0.08817867	467.17	18525	18700	17600	19488	23159	12879	2052	0	25553	39290	32839	3621	35845	14729	7742	9758	6571	19653	27094	42229	48763	22818	10038	7578	0	81626	3062	31360	0	0	7047	0	8794	3624	51707	0	6925	8854	8371	32061	37530	6569	0	0	0	21485	26445	0	4141	0	18608	16801	14815	0	23802	26432	8488	6213	6121	7685	6038	18832	28773	20812	9056	25106	14581	5359	100362	91787	124224	3738	3399	0	0	2777	0	6427	19238	18780	13134	14864	6208	23767	36420	14104	16472	7168	8529	8008	7115	8657	15072	23543	25175	0	18591	19358	19608	33431	29933	7001	3861	8722	10972	6215	19458	0	6993	23535	Phytochemical	0.30769232	1.0	0.0
22	C26 H26 O8	467.17004	467.17056	-0.09065474	467.17	91920	80342	69255	86272	88663	48590	23241	43335	95446	234704	176027	29019	97560	72291	30221	45399	25942	89484	95415	202371	191029	74003	49260	43949	39657	396451	21341	154625	34535	29990	35808	35599	43361	31372	261849	32231	41070	37093	30817	137222	130634	37489	0	0	0	93945	104053	0	38610	30556	88730	88779	58501	629	83880	85014	53032	42338	36816	34704	48024	92350	100500	69936	44924	94025	47904	24812	309893	398408	433710	34747	23574	23983	20429	31754	0	26965	76789	69152	57482	71115	31418	115992	107822	52721	67813	40887	43617	48698	55933	66714	52349	84517	112870	0	74025	88750	89677	94512	89889	38426	22651	47065	64458	36692	82508	0	40169	106393	Phytochemical	0.30769232	1.0	0.0
8	C20 H26 O9 N4	467.17725	467.17804	-0.07558639	467.17722	56077	63778	49997	59795	25040	23456	40135	75331	23061	46425	26228	44411	30794	8557	43313	63076	60439	24700	40532	47609	50511	179834	55713	79900	43593	9624	36804	20884	52494	44212	51832	65797	59348	65049	66550	53370	75214	50997	59710	57787	61175	31754	0	0	0	71649	45317	0	68882	62756	51813	56257	21234	0	35485	14060	20297	62144	60306	52528	63755	19857	33391	26980	7688	33959	32509	66925	6796	26673	11827	64557	66860	44966	37984	43487	0	31005	51699	77008	38431	24867	39729	36760	16278	0	45476	27704	35839	93623	127054	133498	143549	45450	59055	0	63028	55389	9455	17224	0	67319	42128	97916	0	68727	14440	0	52258	34995	Peptide	0.45	1.3	0.2
6	C20 H26 O9 N4	467.17725	467.17798	-0.05945307	467.17722	9337	9973	8235	12673	1883	3476	5201	7164	4843	5930	3127	5685	5272	1369	10385	12810	7515	4314	8381	4797	6408	15816	8311	12038	6092	0	4976	10264	8065	6633	9776	7238	11356	9073	8366	8205	12218	7791	10811	5799	7603	4631	0	0	0	7701	6385	0	12248	7133	11433	9303	4384	0	7258	1818	3625	10572	6059	6377	8552	2755	4596	6669	3183	4689	5970	12459	0	2198	0	6892	7196	8120	3174	9487	0	6502	7680	45533	5784	2010	5781	1472	3709	3187	7843	5134	5594	20440	58859	27184	27184	12893	9606	0	10981	9236	2321	2944	3116	9837	5338	10263	0	10236	2204	0	8125	7880	Peptide	0.45	1.3	0.2
20	C28 H27 O5 Na1	467.1829	467.1833	-0.6907222	467.1826	35976	39228	52291	30412	44168	22876	23264	44672	26808	107080	75324	15584	24816	25272	30828	70047	31086	33756	42576	60938	73100	41080	21776	66824	17376	65040	16884	63452	70120	23982	29732	33435	54971	0	143424	68226	85636	19199	30818	71397	84272	23351	0	0	0	54978	69802	0	48163	28890	25084	39652	38857	0	27426	15956	19752	36397	31266	28979	28932	34428	32572	28479	12444	0	18924	39244	50900	105858	81704	36373	39865	29652	24520	23601	0	27297	39276	40652	35904	21192	15336	61528	15356	11693	20972	25104	30439	61775	57622	44556	51560	49194	42028	0	53012	30008	20063	9012	22712	39049	18436	40662	33297	29200	16938	0	30020	26850	Phytochemical	0.17857143	0.96428573	0.0
28	C27 H30 O5 S1	467.18866	467.18927	0.19135419	467.18875	75350	89958	92071	81939	0	0	0	0	0	6133	0	0	0	0	0	0	0	0	0	0	0	0	0	104995	0	3217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	77847	0	0	0	0	88828	87498	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1981	0	112605	0	0	0	16847463	0	90338	88242	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.18518518	1.1111112	0.0
20	C23 H30 O10	467.19116	467.1917	-0.059788805	467.19113	530483	531276	511934	469013	380939	403790	263507	625570	518793	1310270	386587	256184	640655	252971	506120	381177	163211	668259	696264	1115851	892323	613031	455671	535289	502020	399479	213588	354408	586408	443271	530602	499314	602580	446234	1473305	455015	657227	371130	200540	697872	249439	272975	10788	2446	864	626641	278455	1953	505631	458277	535445	522918	350019	2371	736780	313868	220144	464806	612590	153520	450630	398936	587925	514441	196234	432065	323887	200837	313650	943397	425353	568464	497916	572944	220849	458517	924	432692	387386	187300	341713	303752	352560	370848	338257	261196	325094	215322	307656	194438	499142	630072	640301	246963	408497	5027	546132	520957	311894	245314	237201	467749	326667	551886	342496	464821	276706	2003	316110	765936	Phytochemical	0.4347826	1.3043479	0.0
26	C23 H30 O10	467.19116	467.19174	3.50603E-4	467.19116	19111	12010	12223	11553	13202	10464	5167	19373	18211	44403	11417	6563	21750	13297	19328	9020	0	25261	19712	36115	27218	16632	18467	22382	8133	0	5877	13362	15898	10261	14235	12303	14074	14457	39481	13781	18888	9869	8583	21909	10206	9715	0	0	0	19467	10248	0	18917	10968	15432	15654	9326	0	21761	9957	6552	17083	12545	4603	13679	10999	21352	13972	5947	16773	8955	4921	13095	30870	17124	18024	10764	15455	0	10575	0	10136	11122	0	12415	10049	8401	9812	10415	8520	11567	4911	8683	6935	14164	14152	16944	7158	13966	0	15370	15920	11255	12349	8249	10602	10295	13804	13153	12028	7405	0	8114	20004	Phytochemical	0.4347826	1.3043479	0.0
18	C23 H30 O10	467.19116	467.19174	-0.04551055	467.19116	734116	713539	669198	644013	458513	455299	419194	869948	567319	1704674	656267	382977	703661	284479	678767	618924	307391	729240	830592	1468818	1133788	765092	648360	1573866	598706	617101	338394	578317	784719	633244	751255	720097	841363	672989	1815216	732084	1658680	552947	334942	1932022	399962	378524	14188	1381	1226	761686	383723	1847	747939	643349	729840	686344	434610	2156	910572	428935	309506	692495	742486	280790	660786	1187350	750227	624257	259459	552196	435605	345642	504798	1181062	664785	1475202	599697	775778	355587	721068	478	541790	549902	314138	533776	475862	485060	482474	446981	369454	478355	308015	445041	354531	665670	774616	863596	366051	557183	4266	714790	671502	445316	328885	324781	664385	435308	729559	388237	580717	352964	1729	458174	753417	Phytochemical	0.4347826	1.3043479	0.0
10	C23 H30 O10	467.19116	467.19186	-0.06837077	467.19113	116441	178638	115576	160880	35656	40448	142675	132167	91117	141302	98800	80544	84546	14350	158881	191192	104855	80398	103294	124353	109352	165628	155919	212953	74032	56084	123477	37254	164448	183439	184068	124235	181634	125500	173416	103955	209474	153082	137358	108334	103366	49972	0	0	0	161750	137182	0	122353	184930	110019	173421	43064	0	111302	40421	38873	139295	121894	94845	127257	107957	41945	59287	29073	76927	80564	185415	62510	113396	89946	170312	173118	216983	92707	193789	0	77803	95150	0	146255	81591	160396	67434	51912	73629	163247	44368	82346	136960	109655	176423	179583	66495	149622	0	119408	166823	42154	41238	48175	216389	112257	193207	0	180119	27850	0	97318	101524	Phytochemical	0.4347826	1.3043479	0.0
24	C23 H30 O10	467.19116	467.19168	-0.07297805	467.19113	59041	49124	49909	50134	45204	41521	24068	53835	52425	128548	34728	21765	89442	22926	47916	36885	18595	70188	70097	90792	85774	54298	49154	58407	35094	41234	14484	29064	51504	37043	47292	40710	47687	37747	132148	46376	63718	34680	17456	57586	26633	21654	0	0	0	64223	36368	0	47982	39635	49980	43071	38029	0	81712	39929	21477	45007	41766	17615	49803	35882	73859	57235	15470	56873	31952	16344	35170	105873	54818	53690	42844	48217	25210	35455	0	39348	45008	16230	43402	28738	31170	28413	51054	31638	42097	23485	31982	14519	38222	44813	59551	26789	46520	0	54763	56731	30679	31163	32069	43086	28645	48164	35047	43132	30476	0	24317	82696	Phytochemical	0.4347826	1.3043479	0.0
14	C23 H30 O10	467.19116	467.19177	-0.091385275	467.19113	534476	567062	484384	510024	254568	247606	392322	601670	356896	786664	513628	367640	342376	83443	209590	573970	454662	346498	428132	816726	714288	562634	473838	625536	383496	228999	354242	239083	465436	523696	464054	317956	564130	413110	432650	538526	488502	386114	440588	511946	256946	145460	4746	618	619	504408	257045	406	537728	270960	481496	473854	252512	492	441090	125455	202454	573158	311130	229462	296056	382744	193354	332084	210324	315254	264836	424312	237166	644208	296334	461958	226335	559704	415312	470338	0	381848	471308	182766	452904	363958	216212	374156	166880	128163	445372	247918	302008	250975	399642	438366	590622	159242	394026	1951	539596	518950	129305	144472	144481	474116	340430	636688	208228	457508	124501	455	397436	361004	Phytochemical	0.4347826	1.3043479	0.0
16	C23 H30 O10	467.19116	467.1918	-0.058080506	467.19113	993076	1008684	992778	1009542	295760	266573	665194	1160880	397893	1924066	458801	637264	382776	163501	935588	985140	300008	877168	1009600	1747308	1445378	1016586	471718	1157680	766014	477584	283989	386821	978792	1015812	523317	548883	1113280	793026	2177662	1058620	1075530	780216	721034	582820	371600	250880	9394	1826	868	534614	365248	1035	1148392	1004708	980498	987944	579860	1803	1018750	280114	440972	1032692	1017928	289881	534447	741414	440331	376602	185811	349794	617088	324932	404483	812349	570853	1069692	1018812	1106232	336997	1017780	575	794838	473934	274015	789556	342641	826520	769490	335208	242522	390853	501034	599242	397501	406403	492300	671596	575486	833890	4300	994548	974242	281877	255041	262892	974572	648416	1076764	298494	514542	282555	1699	744434	927676	Phytochemical	0.4347826	1.3043479	0.0
28	C23 H30 O10	467.19116	467.19174	0.001304088	467.19116	0	0	0	0	6195	4850	2518	7014	4172	18170	5641	1957	9327	2312	7298	6988	0	8265	7658	20700	16344	6348	3590	0	4398	8680	1828	6145	7993	4352	5399	3731	4805	5151	19098	7463	6757	2617	3610	10543	4123	3305	0	0	0	0	4538	0	5858	5160	0	0	4910	0	6590	3284	2324	5712	3101	2457	6820	4161	7419	4346	2267	7696	4486	2482	5801	21500	12534	6818	5835	5523	0	3880	0	3106	6657	0	2887	5215	5591	7018	3101	2816	5504	2429	4145	2483	0	9307	8346	3760	0	0	0	0	3076	3114	3986	6090	3534	7502	5894	5610	2878	0	3686	9938	Phytochemical	0.4347826	1.3043479	0.0
16	C27 H30 O7	467.20642	467.207	-0.16434571	467.20636	19280	24971	24768	24008	15403	12106	20035	23444	15323	18956	22313	20645	12588	9236	19908	30321	31654	17183	16124	36877	23997	22525	24235	26287	23732	53586	22483	16710	20544	25237	18416	21342	21121	11491	23121	21253	20562	18200	31699	23668	34614	14159	520	0	0	17872	33024	0	27166	26212	25454	28989	16913	0	16279	14443	11220	23791	15953	27864	23677	14555	11806	16822	11466	14168	13042	38621	40619	51591	65844	14718	15475	21253	30047	24926	0	15380	43251	15160	30473	18312	27151	21932	28198	11709	44620	8249	12877	49827	25135	14941	47009	15727	14911	0	25222	23384	14207	23551	17616	21023	14042	27855	11122	23384	17909	0	28033	8562	Phytochemical	0.25925925	1.1111112	0.0
28	C27 H30 O7	467.20642	467.20697	-0.10709824	467.2064	10540	12314	9099	9348	15266	6866	4786	4363	12649	18001	18326	3732	21240	7371	4705	8009	5378	12144	13429	16853	21887	11517	10114	11010	6351	55306	3198	18151	5006	7412	5711	3973	10867	5194	23530	6661	9146	5827	7624	16305	19184	4812	0	0	0	12937	10503	0	6233	9613	11855	11646	10107	0	13645	14069	4307	7957	6770	5031	7708	10554	12770	8017	5638	14835	8261	7311	46935	45638	83858	5474	4517	5747	2513	3799	0	4474	13373	8644	10210	8887	6530	16267	22310	7525	16011	5683	6696	8401	8154	8598	10503	9839	9237	0	12358	11147	9011	23880	21450	9477	4400	9002	5384	8667	11648	0	5534	11270	Phytochemical	0.25925925	1.1111112	0.0
2	C21 H30 O8 N4	467.21365	467.21454	0.047272496	467.21365	1202	1997	1530	2084	893	0	1667	3100	747	421	959	1760	855	491	2970	408	2832	813	1270	0	905	1926	2073	2232	1421	0	0	3459	2717	1540	1552	2123	2705	2618	1180	1525	2874	1764	3915	1150	1147	0	0	0	0	786	1025	0	2067	1758	1709	1938	1091	0	2031	519	448	2659	1223	859	866	521	1092	735	0	1617	1606	4814	0	0	0	1132	2112	1306	0	1890	0	1828	1973	24336	1594	0	1209	576	922	926	2524	1398	1783	6103	6637	5377	6385	3221	0	0	2426	1660	0	566	618	2282	1504	746	561	2673	813	0	2765	1510	Peptide	0.3809524	1.4285715	0.1904762
10	C21 H30 O8 N4	467.21365	467.21436	0.060998563	467.21368	4338	2672	3056	3862	1654	1925	2459	3760	1260	0	0	1789	0	0	4575	5383	2249	2144	3142	0	2713	4713	2597	5864	5191	0	3738	10552	4714	3594	3676	6545	7028	3379	2822	3762	4698	3123	4040	1979	0	839	0	0	0	0	0	0	4096	3231	4471	4438	1535	0	1928	0	0	6953	0	2024	0	0	1335	1548	0	2069	1702	3013	0	0	0	5096	5439	4514	0	2942	0	3178	2859	46311	2765	1291	4075	0	0	0	4592	2025	1634	5663	86963	32541	9922	6306	3152	0	3766	3146	0	0	0	3684	2856	4811	0	6671	1577	0	4221	1766	Peptide	0.3809524	1.4285715	0.1904762
8	C21 H30 O8 N4	467.21365	467.21445	-0.031132597	467.21362	13084	12923	8052	11250	1703	6103	3768	5891	3482	2622	3772	3305	1965	0	5037	10776	3566	3212	3051	4467	3137	11727	5475	10247	6665	0	4587	44173	6362	5180	6291	4364	8669	4872	4751	5509	7586	5662	5810	3797	2715	3203	0	0	0	3147	0	0	11134	3386	11689	12111	2393	0	2915	947	1307	6483	3336	1995	6023	2317	1124	2210	0	2053	3046	5633	0	0	0	6184	4419	5995	2487	3555	0	4004	5010	240604	3929	2155	4403	0	961	0	4454	2853	3880	14280	365840	121678	15432	41386	10785	0	11275	10296	0	0	0	6761	4085	6270	0	8463	0	0	4450	2755	Peptide	0.3809524	1.4285715	0.1904762
4	C21 H30 O8 N4	467.21365	467.21448	0.012813978	467.21365	5162	4268	6345	4106	982	4929	1232	3540	897	0	2577	1919	2113	0	3511	5305	2350	2144	1753	0	1044	4134	2989	3064	3271	0	1359	13552	2192	1777	2403	2593	5197	2719	2037	3052	4318	2669	4844	1349	1127	0	0	0	0	1969	1598	0	3531	2441	3104	4034	1446	0	1524	896	1366	2938	2891	1317	4885	0	1123	890	1185	1537	1452	5285	0	0	0	2613	2325	2514	1138	1596	0	2002	2970	106603	1150	536	1489	589	1780	1034	3476	2757	1924	4765	116752	44017	8646	11878	4198	0	4179	4181	1140	1794	783	4153	2349	2186	0	4236	1797	0	2733	1701	Peptide	0.3809524	1.4285715	0.1904762
0	C19 H34 O11 N2	467.22354	467.22446	0.21120395	467.22363	2079	2670	1773	0	1670	0	0	2803	761	0	0	0	3947	0	0	0	0	6214	2183	0	945	1836	0	3417	0	0	0	5504	2014	0	2411	3650	5100	8199	1428	3073	6019	0	1139	0	0	3940	0	0	0	0	0	0	2614	2261	2014	0	2679	0	1408	423	0	2455	0	0	0	0	2827	1725	1103	3636	3556	0	0	0	0	8956	6482	4724	0	3199	0	0	0	17587	0	0	0	0	0	0	1582	3039	2878	0	20389	2760	0	0	0	0	0	2365	485	401	0	2109	0	0	0	4177	494	0	0	4632	Lipid	0.57894737	1.7894737	0.10526316
26	C24 H34 O9	467.22757	467.22812	-0.09053584	467.2275	24015	20916	20333	19261	17547	17350	8743	22039	23660	41499	15432	9814	35346	16131	15730	16104	6785	28970	31393	40069	35343	20048	13919	28850	19203	17664	6522	17699	25055	20784	23695	27541	27736	29703	49305	26698	43378	15978	12076	23953	10913	11804	0	0	0	17507	7561	0	34572	17804	23222	21408	15453	0	40597	20251	10685	28518	19035	4632	26731	12179	32829	24204	7582	24492	20124	7282	13258	49174	21356	22936	23834	23284	9960	19637	0	17217	19449	0	13683	8678	16070	15587	16879	10946	16958	9479	15995	10379	31672	29004	28145	7929	17078	0	23174	28139	10650	18375	14774	21984	13270	29431	9604	17012	13402	0	14791	41668	Lipid	0.375	1.4166666	0.0
10	C24 H34 O9	467.22757	467.22827	0.06406345	467.2276	4876	5386	5251	2904	1292	1701	5679	5533	1618	2632	0	2486	1220	1737	4187	7305	5817	2296	2038	0	2090	3095	3857	6720	3829	2145	6626	5956	4869	4522	6401	6336	4907	2770	1590	7372	4904	6447	8093	1967	4440	1907	0	0	0	3098	3773	0	4560	6887	4810	5666	1320	0	2816	1646	1985	5362	3660	4210	0	2505	1416	1862	1353	1937	0	10003	0	2590	1281	2532	3742	6607	7576	6533	0	3314	5088	41055	4467	3143	6331	2028	1930	1882	4851	0	1664	7844	9731	3490	6962	1634	3704	0	5187	4120	2352	2933	3382	5059	3445	7160	0	3738	2422	0	4333	1659	Lipid	0.375	1.4166666	0.0
12	C24 H34 O9	467.22757	467.2282	-0.090323806	467.2275	19487	21396	20970	16197	6325	6251	15989	30084	9076	11631	7790	17954	3034	3497	12872	31552	31575	5347	11493	19142	17570	15213	16103	24384	15147	9631	20879	9514	22186	24327	19235	26720	21885	11744	12564	25731	20227	18172	34179	9031	9394	9055	0	0	0	15733	17911	0	26631	25674	21110	20405	6340	0	12321	8917	6694	26932	17426	15196	29349	3370	8374	7745	6861	4997	8555	34368	0	11759	9847	13442	16406	23332	35157	20599	0	17335	21453	0	18246	9619	14637	4786	9704	8433	26037	6265	13626	35466	19547	20751	28376	6080	10797	0	22277	15542	7655	8901	11796	29707	12486	27691	0	17697	10123	0	16789	5149	Lipid	0.375	1.4166666	0.0
14	C24 H34 O9	467.22757	467.22818	-0.13347505	467.2275	58031	55662	56098	49243	25884	21976	55272	71429	36203	54042	39485	45763	22932	19196	53308	89772	92110	24258	42607	56541	40763	56971	54639	73856	43356	34552	55940	26850	59286	70791	54554	79330	61412	38397	51526	72229	55437	51674	85239	31684	35243	28167	0	0	0	41084	42689	0	72387	68545	58028	57861	32693	356	42213	35247	27127	77325	47424	48133	72332	24221	34951	40490	23270	31752	34400	93295	26991	44716	39589	47167	47869	70767	78817	59451	0	46983	63355	37051	62225	34365	51405	31545	38680	36265	64852	23551	42182	78700	47251	52106	71189	26097	30380	0	57606	54226	26864	42269	46619	65474	41237	68124	0	63033	31649	0	55164	27289	Lipid	0.375	1.4166666	0.0
20	C23 H34 O8 N2	467.2388	467.23944	0.0778649	467.23883	7834	5089	6703	4895	3127	2807	6949	9007	2098	2243	2749	7980	2824	2434	8947	9958	6268	4346	9799	8155	3349	9645	8152	10365	9617	2371	6242	4980	12704	5606	9479	13014	17291	12490	5092	8214	13225	7756	6598	6016	4155	3672	0	0	0	8376	2870	0	9786	8622	7046	7475	2775	0	4198	0	1969	11715	8790	3600	9248	2606	2543	4704	3705	3337	4202	7548	2325	1929	2703	7212	8219	10302	6463	7487	0	9490	3626	3328	5557	2950	9973	0	1926	2228	7632	7994	5240	8560	21591	21543	17144	3228	0	0	10742	5740	1645	2357	1833	9927	7757	11800	2808	6842	2981	0	8015	6128	Lipid	0.3478261	1.4782609	0.08695652
18	C23 H34 O8 N2	467.2388	467.23932	0.026432337	467.2388	11595	7812	9377	10896	4675	4754	9491	18230	3295	2948	5337	9163	3250	4616	10805	15741	4234	6128	4779	9710	5461	9882	6468	11966	11284	0	9502	4255	15499	12778	11941	10842	19743	8970	6860	13993	20756	7800	7521	8789	4371	5314	0	0	0	5333	6381	0	23389	10128	11115	9561	4319	0	6446	2309	3731	19431	10769	5289	17823	2802	2903	5372	2020	2365	4569	12238	0	5252	1991	15297	10900	8437	11517	15681	0	8129	3977	5379	3709	3384	9436	2720	2338	4246	11564	7092	4335	7459	25939	22624	29050	5404	8809	0	9463	11221	3358	2243	1253	14479	6890	12770	4505	12312	2956	0	6738	3524	Lipid	0.3478261	1.4782609	0.08695652
16	C23 H34 O8 N2	467.2388	467.23938	-0.041281227	467.23877	9735	8111	7406	5579	4095	5383	8550	11265	1771	3752	2783	8208	0	2190	8196	15775	7984	6310	4508	7708	5853	12409	7066	15636	17958	2261	7019	2580	13128	10937	12718	12718	22736	11345	6810	17644	17845	6151	10767	5823	3061	5154	0	0	0	7943	3990	0	19430	8576	7834	7847	3665	0	3120	1883	2882	18559	8439	7152	12281	4471	4184	4587	2692	4121	5082	13209	0	4288	1593	13866	10887	11804	11105	11815	0	7557	7364	3466	4561	3713	8591	2070	2136	2679	8549	8243	8057	0	20276	19864	0	1922	8661	0	7248	9556	2703	1657	0	15852	7404	14544	0	0	3912	0	8283	5066	Lipid	0.3478261	1.4782609	0.08695652
16	C28 H34 O6	467.24283	467.24335	-0.20050304	467.24274	5738	6567	9866	7692	5018	3403	9493	8384	2662	3809	4636	9564	2385	3216	7020	9253	17368	1737	2815	2438	5874	3509	7027	9735	7083	7387	13556	5795	5472	9523	5856	6887	6125	1804	2217	9120	2964	8189	22893	1997	4543	3436	0	0	0	3264	6689	0	6597	7084	8526	6943	3459	0	4223	4794	6777	11450	3605	11248	6861	3308	5543	4015	2883	4693	3051	20092	3442	6160	8482	3941	4923	8734	12272	10594	0	3898	14556	4320	11321	4199	8828	4169	10180	3704	15611	1503	2026	0	6122	10451	0	2977	3169	0	6230	8401	4076	12030	14540	7978	6321	9849	0	0	6742	0	16169	3292	Phytochemical	0.21428572	1.2142857	0.0
16	C21 H38 O11	467.2487	467.24905	0.016016385	467.2487	6831	10713	7344	10637	6342	3551	5536	13941	4991	4969	5509	8611	5607	3074	10415	16936	12970	5611	10815	16413	10800	13854	10052	19598	10570	14627	8343	5123	8937	17774	11446	12120	12855	11062	9283	18522	11725	6662	10580	7362	8525	7101	1917	2507	1592	10177	10286	2437	16657	15190	9976	11042	9112	1057	5685	7352	3127	10786	8106	11223	13262	6153	4557	4463	3192	3369	5557	9867	13758	22261	11912	15032	12960	14196	14058	7527	911	8369	12669	0	9933	3121	7592	5430	7686	6325	12290	5657	9424	0	17558	14461	0	3376	10531	2172	6121	9669	4397	3058	5993	14979	7495	18599	0	0	6616	2156	11137	5753	Lipid	0.52380955	1.8095238	0.0
4	C22 H34 O7 N4	467.25003	467.2509	0.22542745	467.25012	0	1273	1024	674	0	1231	0	831	0	0	0	0	0	0	356	421	0	0	0	0	0	0	411	697	808	0	0	11537	0	414	0	0	0	0	0	0	0	365	0	0	0	902	0	0	0	0	0	0	0	0	582	0	0	0	0	0	0	714	0	0	684	0	0	0	0	0	0	0	0	0	0	0	0	0	0	349	0	390	309	28539	0	0	291	0	0	261	355	0	0	0	31174	9326	2089	1477	0	0	0	1238	0	0	0	0	0	0	0	522	0	0	0	0	Peptide	0.3181818	1.5454545	0.18181819
10	C22 H34 O7 N4	467.25003	467.2504	0.093978524	467.25006	0	1474	0	0	0	1707	0	0	0	0	0	0	0	1412	1822	0	0	0	0	0	0	0	0	0	0	0	0	20068	1315	961	2441	1312	0	0	0	0	0	1513	0	0	0	0	0	0	0	0	0	0	1167	0	2076	1984	0	0	0	0	0	2696	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	104978	1057	0	0	0	0	860	0	0	0	2014	204348	42184	2724	8254	2249	0	1597	0	0	0	0	0	1162	0	0	0	0	0	1854	0	Peptide	0.3181818	1.5454545	0.18181819
6	C22 H34 O7 N4	467.25003	467.25064	0.05734017	467.25006	3030	3454	2109	3749	540	24142	769	1251	0	0	0	578	0	527	1267	1473	0	0	0	0	0	1656	955	3233	1035	0	0	37930	0	1265	1045	0	3488	0	0	0	1391	834	0	0	0	2869	0	0	0	0	0	0	2236	0	3609	3234	542	0	0	0	0	1795	0	0	0	0	0	0	0	0	0	0	0	0	0	875	1150	591	0	857	0	708	540	161460	0	0	0	0	0	0	0	1205	706	2716	136922	65905	2508	12436	2127	0	3860	2038	0	0	0	0	878	0	0	1251	0	0	1015	694	Peptide	0.3181818	1.5454545	0.18181819
8	C22 H34 O7 N4	467.25003	467.25067	0.06257331	467.25006	2007	3092	3442	4691	0	5053	0	1105	0	0	1051	858	0	0	1106	1914	0	1157	0	0	0	0	0	2098	2892	0	0	45752	1344	0	1883	921	2929	1173	0	987	2313	669	978	0	0	0	0	0	0	0	0	0	0	0	3738	3280	0	0	0	0	0	2063	0	0	0	0	0	0	0	0	0	0	0	0	0	0	877	0	0	0	0	0	1372	203068	0	472	0	0	0	0	914	717	0	1618	214781	80281	2000	16579	3367	0	4636	2567	0	0	0	0	0	0	0	1570	0	0	2182	0	Peptide	0.3181818	1.5454545	0.18181819
16	C25 H38 O8	467.26395	467.2645	-0.09006153	467.26392	6253	7552	8695	5474	4368	2668	15496	8746	4041	0	1986	5839	0	3948	10068	10265	25387	4514	6312	1898	0	4479	4225	7025	10494	3562	12886	3305	14037	12720	8521	8879	13133	8169	1632	16513	11377	10015	20466	0	0	4286	0	0	0	3523	4847	0	12972	8585	5261	6893	5334	0	6798	4984	4434	12039	6748	5204	12833	0	7315	3033	7538	6932	4845	21584	0	3185	2777	2402	7099	16036	24443	12363	0	4878	12305	0	8013	3580	7383	2220	6503	6341	14408	2808	3363	0	3487	6605	0	3014	2624	0	6409	6344	4533	11773	13939	18423	7017	13085	13881	0	5113	0	10343	3685	Lipid	0.32	1.52	0.0
18	C25 H38 O8	467.26395	467.26447	-0.16455899	467.26385	26019	36026	29713	26927	16235	12453	40333	35735	17535	12311	6829	20535	16338	13155	25172	42095	48584	17034	18291	14233	11512	12787	19839	24828	19307	9842	40498	10837	30969	41024	29721	44085	46488	20104	12864	44200	32207	22380	47564	4828	10274	17415	572	0	0	11176	10875	0	40515	30403	26383	27798	18390	0	30985	20231	12197	42236	14251	16111	33819	7191	22199	18663	13948	30050	18963	51319	7521	13850	13231	19753	21421	35539	47196	31845	0	21202	30848	12033	26407	7225	30974	18678	34722	20012	37575	14106	20905	38367	20686	23199	33094	10181	11038	0	26829	23366	17644	27878	33941	48698	16283	26251	6596	23412	21442	0	30064	14642	Lipid	0.32	1.52	0.0
26	C25 H38 O8	467.26395	467.2645	-0.112343304	467.2639	35440	44737	40942	40839	37096	23767	32991	38884	40841	48770	23118	12858	55679	25957	76592	31067	35000	56073	70811	57787	48604	33298	22404	39219	39697	18530	32152	34504	56189	39052	40361	37985	64204	35717	69817	52551	70093	58445	59528	39208	9864	27087	0	0	0	33380	13783	0	45335	22570	42100	38747	28889	0	65470	41608	27514	40037	57032	9221	38647	26679	46040	44813	16455	48964	50097	44260	22728	53270	19171	33497	29887	47640	16857	32503	0	26552	37093	14076	24411	24593	49107	30365	33591	30187	35474	19006	28489	22819	68012	77147	60290	16609	32935	0	33535	41774	31408	30588	32850	46670	17556	47989	33481	35507	20838	0	32163	47405	Lipid	0.32	1.52	0.0
28	C25 H38 O8	467.26395	467.26443	-0.12692705	467.2639	4490	2061	3422	4813	2622	2033	8433	3313	2958	2542	2441	1260	3716	2761	2702	3600	2468	3396	8060	6345	3109	2842	0	3063	3984	2461	7022	2893	5474	3455	4102	2430	7472	2897	5238	4674	6581	2117	2637	1827	2931	0	0	0	0	2352	7114	0	4274	0	3912	3535	2545	0	5538	2408	2322	5261	3019	5872	4423	1382	3249	2445	1435	4978	5145	4127	0	6009	3386	3176	3231	4238	0	3155	0	2580	5723	23181	1844	6071	8216	4273	0	2358	7648	2633	2606	3359	6603	9691	4327	27069	3371	0	4570	2886	1743	3351	2361	4113	1931	6927	7688	3725	1260	0	2947	2824	Lipid	0.32	1.52	0.0
18	C29 H38 O5	467.2792	467.2798	-0.13389646	467.27914	1734	4206	4152	2058	3505	2167	8354	4393	2857	0	2140	5056	0	2775	6685	6748	24717	0	4577	0	0	1923	4803	0	3958	0	9583	0	0	5454	2648	0	4573	0	0	6235	1936	5233	20609	1795	3335	1155	0	0	0	2182	2214	0	6272	6108	3707	2021	4236	0	6128	3473	5249	5802	4145	6264	3284	0	3218	1905	2082	1666	3656	30983	0	0	2847	0	2344	2378	10563	0	0	2875	8430	1741	7428	1455	3355	0	10269	5952	5957	0	2197	19326	5262	2544	3539	1523	1595	0	3466	3810	3083	13125	14402	3241	3392	2084	0	4158	7934	0	6989	0	Phytochemical	0.1724138	1.3103448	0.0
28	C26 H42 O7	467.30032	467.30078	-0.084749565	467.3003	3654	2861	3866	5653	2528	2286	23653	4558	1939	1827	1431	1621	0	3767	2624	3097	3097	0	4762	3296	2296	2227	1941	0	5028	0	21436	7433	10271	4674	5618	6756	6871	5071	2107	7033	7209	2821	3853	0	0	0	0	0	0	0	0	0	7720	3331	5295	2986	2621	0	4691	2262	3035	6754	14140	2801	4232	5785	1822	2394	3011	4984	4233	2343	0	0	0	3150	5886	7106	3021	5591	0	2555	1651	3119	1118	2096	7142	3553	3224	0	4090	1440	2759	3287	7555	8417	4278	2098	0	0	4889	4106	2213	3125	3393	6457	2021	7290	15235	3126	2596	0	2564	2319	Lipid	0.26923078	1.6153846	0.0
22	C26 H42 O7	467.30032	467.30078	-0.1916377	467.30023	4267	6499	8065	8300	5934	3626	43183	7466	2637	2756	2434	3887	2240	8549	4904	10751	15844	4573	2935	2440	0	2405	1881	1782	6982	4395	33203	4762	8290	7783	3821	9397	5815	6461	2138	15698	9893	4062	15364	0	1508	3632	0	0	0	0	2268	0	6177	7103	5187	7667	2959	0	3764	3177	3924	11272	2464	3526	8682	0	4087	2980	6063	3613	11255	12688	0	0	0	3354	6581	13850	12599	9648	0	7480	3864	2398	3706	3130	39868	21582	4172	4420	7303	3780	4709	10123	6581	5557	5623	0	0	0	6073	7261	2936	5961	7678	9189	6029	2117	2091	5972	4755	0	7189	4086	Lipid	0.26923078	1.6153846	0.0
22	C30 H42 O4	467.31558	467.31604	-0.19565116	467.3155	7537	8928	12470	11001	13327	5023	18245	10832	10450	0	1613	9147	5955	12645	11840	18496	56607	0	10308	0	2117	14132	5903	6069	11995	0	15626	3264	7953	10162	4028	9347	9059	1593	0	11702	7573	15661	54839	0	3258	5242	0	0	0	0	8288	0	4451	10099	7369	8810	13076	0	11043	15781	16020	12404	4795	13033	7270	0	3404	7564	10888	5200	4228	61814	0	0	3496	1286	2554	9392	26617	6586	0	6776	23066	20980	15569	3123	8282	1109	29029	19909	35210	9699	7424	63257	11856	13943	11867	18189	28428	0	7855	11165	18670	30188	34466	15922	7395	5004	3996	4848	23868	0	20151	2277	Lipid	0.13333334	1.4	0.0
26	C27 H46 O6	467.33673	467.33713	-0.2305143	467.3366	5519	4122	3893	3948	0	0	184118	0	0	0	4617	0	0	19492	0	0	6121	0	0	0	0	0	0	0	0	6261	163742	13174	0	0	0	0	6140	0	0	0	3896	2498	6643	0	4308	0	0	0	0	0	0	0	3273	0	5380	4614	0	0	0	0	0	0	6304	8273	8503	2963	2453	0	17160	2122	6352	4855	0	0	3172	0	6356	6701	0	0	0	0	0	6803	0	4150	19665	23664	0	0	3160	0	0	2475	8674	5499	0	1946	0	0	4495	5114	0	0	5047	7453	2655	5176	11605	0	0	0	0	0	Lipid	0.22222222	1.7037038	0.0
24	C27 H46 O6	467.33673	467.33667	-0.31985807	467.33658	0	944	1311	2598	0	0	80459	0	0	0	0	0	0	5087	0	0	2763	0	0	0	0	0	0	0	0	2190	93499	1515	0	1215	0	2178	1229	0	0	0	1869	0	2720	0	0	0	0	0	0	0	0	0	0	0	1598	1434	0	0	0	0	916	0	0	885	0	0	0	0	5236	0	1475	3469	0	0	0	0	0	2119	0	0	0	0	0	1893	0	789	8027	9908	0	0	1788	0	0	3251	2375	0	0	0	0	0	1478	0	0	0	0	1467	0	0	0	0	0	0	0	0	Lipid	0.22222222	1.7037038	0.0
28	C27 H46 O6	467.33673	467.33707	-0.16214706	467.33664	2319	1394	3057	2362	882	0	66716	0	0	0	4775	0	0	9683	0	0	8911	0	0	0	0	0	0	0	2800	4527	67732	5769	15409	0	1541	990	1557	0	0	0	1666	2557	7807	819	931	4514	0	0	0	0	0	0	869	0	0	1918	0	0	0	3446	2084	1602	9284	1582	3865	4771	2586	0	5221	2049	2991	9156	2834	0	1091	0	35479	0	0	1744	0	0	0	5197	1146	2984	4542	5208	2026	0	2275	0	0	2174	5212	3626	0	1012	0	0	1816	0	1997	22246	31123	2435	0	3612	12236	0	1332	0	2331	722	Lipid	0.22222222	1.7037038	0.0
28	C31 H46 O3	467.35196	467.3523	-0.2139277	467.35187	931	945	1209	1073	0	0	3830	0	1611	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5199	0	3159	0	0	0	0	0	0	0	0	0	0	1276	1725	0	0	0	0	0	0	0	0	0	796	0	0	938	0	0	3346	2361	1354	0	0	0	0	0	0	0	1265	0	918	2027	0	0	0	0	0	0	0	908	0	0	9602	2319	0	0	1171	0	10915	3990	17244	0	0	51181	0	0	2434	1008	0	0	847	0	2441	9234	13552	0	0	0	0	0	8127	0	5038	0	Lipid	0.09677419	1.483871	0.0
26	C24 H50 O8	467.35785	467.35825	-0.13242084	467.3578	0	0	0	0	8645	11931	0	0	0	0	0	0	0	166877	0	0	0	0	9314	0	0	0	0	8602	0	0	0	0	0	0	0	27043	0	0	0	0	0	0	0	0	0	10484	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42225	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10016	6731	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	2.0833333	0.0
26	C19 H17 O13 N1	468.07727	468.078	-0.055053405	468.07724	3026	0	3151	1940	7511	3843	0	0	6086	3889	2652	0	22934	2190	0	0	0	8822	7292	0	0	4782	0	0	0	0	0	0	0	0	0	0	0	0	2933	0	0	0	0	0	3265	0	0	0	0	0	15147	0	0	0	2707	0	3572	0	12490	6031	0	0	0	0	0	2890	17528	8543	0	6876	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6095	0	0	9283	0	0	0	0	0	0	0	0	7017	0	0	2798	0	4305	5150	7440	0	0	0	7561	0	4924	0	0	14518	Phytochemical	0.68421054	0.8947368	0.05263158
24	C19 H17 O13 N1	468.07727	468.07794	0.112835385	468.07733	2320	1525	2203	3056	5199	3888	0	0	7123	1748	1165	0	20018	1242	0	0	0	10582	6059	0	2586	3342	1618	0	0	0	0	0	0	0	0	0	0	0	6199	0	1177	0	0	1520	3504	0	0	0	0	4787	18996	0	0	0	1420	1156	3778	0	7955	7937	2087	0	0	0	0	2335	15326	7158	2431	6653	1830	0	0	0	1516	0	0	0	0	0	0	0	1548	3193	1803	3629	0	0	12498	0	0	1081	1590	0	0	0	1644	9677	2786	0	2518	1665	4978	6673	5373	0	0	0	9820	0	5375	0	0	16111	Phytochemical	0.68421054	0.8947368	0.05263158
20	C19 H17 O13 N1	468.07727	468.07794	0.08036577	468.0773	13722	7002	4992	5380	24992	9836	0	0	21914	0	2978	3014	48894	7942	5438	0	0	24430	21640	0	7166	12376	2488	0	0	0	0	0	0	0	0	0	0	0	3940	0	0	2864	0	7257	6830	2912	1344	0	0	8876	42078	1834	0	0	10096	3716	10734	0	30798	38378	8696	0	0	3836	3424	4558	49532	27632	12392	21366	6936	0	0	0	0	0	0	0	0	0	688	0	5984	20148	3896	13216	0	0	32586	7750	5122	3250	9166	0	0	8118	0	26922	10002	0	6982	6890	17212	27002	30086	4334	0	3308	17686	0	22402	0	0	57656	Phytochemical	0.68421054	0.8947368	0.05263158
14	C19 H17 O13 N1	468.07727	468.0781	0.22512597	468.07736	3271	5759	2713	2115	14028	3272	0	0	17603	3546	3810	2828	29867	3970	1159	0	0	13146	13953	0	8358	11623	4847	0	0	0	0	0	0	0	0	0	2060	0	4590	0	0	0	0	0	5897	5573	0	0	0	4467	20839	0	0	0	3853	3374	8111	270	16607	24517	7137	0	0	0	0	4061	37688	21895	5749	14736	4928	0	0	0	0	0	0	0	0	0	0	941	2565	0	2119	5660	0	0	23184	3793	1310	5345	4917	0	0	0	0	22567	4306	0	3300	5595	15683	18080	20544	0	1283	0	0	0	12344	0	0	28667	Phytochemical	0.68421054	0.8947368	0.05263158
18	C19 H17 O13 N1	468.07727	468.07797	0.08847103	468.0773	5295	3156	2737	3341	13650	3602	0	0	15368	0	2126	2414	37995	4465	1347	0	0	13470	14529	0	3218	16620	4401	1380	0	0	0	0	0	0	0	0	0	0	3638	0	0	1527	0	2843	9241	6414	581	0	0	8076	19286	620	0	0	5386	3652	5775	0	21359	26814	4290	0	2362	2444	0	7101	37178	20287	5402	15317	7231	0	1442	0	0	1415	0	0	0	0	0	0	2385	14975	3626	7710	0	0	26886	9298	2773	6247	6387	0	0	0	3699	23275	9160	0	5895	7781	13552	20986	18159	0	1458	0	15537	1726	17423	0	0	35880	Phytochemical	0.68421054	0.8947368	0.05263158
12	C19 H17 O13 N1	468.07727	468.07812	0.19399594	468.07736	3258	3962	2721	2255	8560	1496	0	0	9734	2277	0	0	14859	1338	0	0	0	6767	6800	1492	6540	10670	1205	0	0	0	0	0	0	0	0	0	0	0	3068	0	0	0	0	1822	5469	3013	0	0	0	3216	8513	0	0	0	3485	2691	5060	0	11816	12896	4338	0	0	0	0	0	34717	12013	3518	8998	1826	0	0	0	0	0	0	0	0	0	0	0	0	0	1689	4658	0	0	12796	2138	0	1743	2388	0	0	0	0	13898	4362	0	2026	2034	9782	10737	10554	2922	0	0	0	2422	5956	0	0	17401	Phytochemical	0.68421054	0.8947368	0.05263158
28	C19 H17 O13 N1	468.07727	468.07794	0.0330103	468.07727	3737	3476	2728	3391	7680	4359	0	0	7608	0	2255	1234	23690	1480	0	0	0	9491	8005	0	7392	8761	2165	0	0	0	0	0	0	0	0	0	0	0	6768	0	0	0	884	1683	5465	0	0	0	0	4693	12876	0	0	0	3619	3433	5937	0	11028	8589	2820	0	0	0	0	4212	17626	9115	2201	8872	2364	1009	0	0	2479	0	0	0	0	0	0	0	1952	0	1037	3603	0	0	11541	2633	1838	1398	1985	0	0	1939	1936	7036	5437	0	3264	4847	6937	6482	6386	0	0	0	12236	0	5177	0	0	18537	Phytochemical	0.68421054	0.8947368	0.05263158
16	C19 H17 O13 N1	468.07727	468.07806	0.11560556	468.07733	3906	4727	5608	5093	16401	7171	0	0	24465	0	4252	1413	38134	4360	0	0	0	18190	17358	2911	7222	19916	5321	0	0	0	0	0	0	0	0	0	0	0	4324	0	0	1817	0	2103	6076	7857	312	0	0	5169	24471	0	0	0	5098	4243	6882	0	17015	21011	7626	0	0	2718	0	3937	45939	17770	6929	23261	9918	1282	2249	0	1818	0	0	0	0	0	0	1163	5091	13200	3615	7242	0	0	25968	7191	2587	6058	6216	0	0	0	0	29837	10696	0	5007	8792	17572	21136	23003	2493	1917	0	11738	0	17115	0	0	36063	Phytochemical	0.68421054	0.8947368	0.05263158
18	C23 H17 O10 N1	468.09253	468.0932	0.018864783	468.09253	5241	9187	6676	5523	7775	3553	0	0	10079	39974	14067	0	8838	1719	0	2129	1442	7396	4709	13232	22178	28448	1570	1636	1604	12155	2320	7973	0	0	0	0	0	0	39798	0	1595	0	0	13580	24480	2472	0	0	0	12961	18137	0	0	0	7347	4919	7191	0	12774	10832	5270	3668	2327	1377	3472	12583	16847	9654	1317	5662	5072	2575	19444	21006	29030	0	0	0	0	0	0	0	4728	21873	3974	10893	1496	10156	7701	4249	3195	1197	2132	4718	3990	3905	6883	30389	41263	0	7517	8454	8724	7652	6142	1768	0	0	8107	2259	5079	0	4009	11204	Phytochemical	0.4347826	0.73913044	0.04347826
24	C23 H17 O10 N1	468.09253	468.09305	-0.03041226	468.0925	2321	3102	3615	2173	2560	2714	0	0	3945	13820	4450	0	6641	1645	2040	0	1404	6826	4873	2474	6881	15121	2886	1569	0	3701	1183	0	0	0	0	1034	1243	0	15121	0	1288	2071	0	8294	9489	0	0	0	0	7445	17455	0	0	0	3048	5177	5819	0	5294	3958	941	0	1176	2025	0	5392	9026	6425	2887	5755	3748	0	4136	5223	9049	0	0	0	0	0	0	0	1960	9119	2102	7334	1412	3282	3480	0	2548	2612	2051	2183	0	1227	0	22144	21337	0	3414	3917	4613	3806	4248	0	0	0	4301	1141	2296	0	2465	8164	Phytochemical	0.4347826	0.73913044	0.04347826
20	C23 H17 O10 N1	468.09253	468.09308	-0.042207126	468.0925	8622	6858	6633	8494	9292	4664	1901	0	9285	30606	15346	1417	11589	2948	1343	2137	2553	7253	10761	9723	22946	25025	1364	2098	0	8967	1734	6117	1407	0	1553	0	2365	0	38417	0	3759	1780	0	14291	25384	4391	0	0	0	15633	28407	0	0	0	5456	6863	5526	0	7602	8654	3688	2730	2418	4210	1498	11788	15617	8819	3343	11208	4589	0	12453	11320	18611	0	0	0	0	0	0	0	4671	26231	3735	13720	2881	15935	9121	5135	3630	4152	3396	5028	4320	2105	0	38148	32695	0	5549	3623	8438	11635	9592	2468	1154	2227	11385	3962	6950	0	2034	14942	Phytochemical	0.4347826	0.73913044	0.04347826
22	C23 H17 O10 N1	468.09253	468.09308	-0.085672535	468.09247	4630	4240	5064	4871	4859	3121	1746	1529	10494	19160	10141	1605	10405	0	1773	0	0	8668	6462	11036	17663	20754	2141	1343	1381	4032	0	3938	0	0	0	0	1683	0	22493	0	2344	1179	2723	9010	16981	0	0	0	0	12502	18617	0	0	1542	5481	2861	5520	0	7186	5186	2632	1937	2066	1406	1345	9099	11447	8259	1665	7543	3194	0	7007	14394	11403	0	0	0	0	0	0	1809	5461	19416	3909	12851	1042	8752	4117	3708	3299	1067	4237	3918	0	0	3508	28724	33590	0	2853	3960	6256	5471	7530	0	1005	1507	10596	1596	3944	0	1257	15759	Phytochemical	0.4347826	0.73913044	0.04347826
14	C23 H17 O10 N1	468.09253	468.09332	0.013700816	468.09253	2710	4490	0	2766	3230	0	0	0	5353	17026	7870	0	3968	0	0	0	0	1716	4008	6983	6794	11780	0	0	0	8444	0	0	0	0	0	0	0	0	23066	0	1512	0	0	7243	16920	1788	0	0	0	3723	7167	0	0	0	2423	0	2321	0	3018	2921	1123	0	0	0	0	4028	5741	5172	723	1936	1550	0	0	8929	16427	0	0	0	0	0	0	1115	2425	0	0	4021	0	3734	4757	3633	1254	0	1664	0	0	0	0	10445	14063	0	2335	4178	2637	4338	5810	0	0	0	0	0	2859	0	0	5534	Phytochemical	0.4347826	0.73913044	0.04347826
12	C16 H21 O15 N1	468.0984	468.09882	-0.076611	468.09836	4070	10736	3792	0	5544	2252	0	0	2082	17628	9306	0	9415	847	0	0	0	8268	7816	9534	8162	15366	0	0	0	3968	0	0	0	0	0	0	0	0	32958	0	0	0	0	16548	22996	0	0	0	0	4176	15270	0	0	0	5518	3878	2870	0	3738	3670	0	0	0	0	0	8770	12652	6724	0	6240	0	0	0	3772	7160	0	0	0	0	0	0	0	0	0	0	7898	0	4652	4538	3138	0	2848	2522	0	0	5658	4494	24936	13716	0	3772	4166	0	4034	4290	0	0	0	0	3740	4532	0	0	9478	Phytochemical	0.9375	1.3125	0.0625
24	C20 H21 O12 N1	468.11365	468.1143	0.13302815	468.1137	5592	4700	5983	4643	9048	4857	0	1762	13526	7109	5534	0	26176	4043	0	2122	0	17394	6209	8559	18484	16137	4699	3643	1420	0	0	0	1830	0	1208	0	1543	0	8658	2463	2821	0	0	7380	8055	2940	0	0	0	26467	54545	0	1330	0	4979	4341	5019	0	14208	7558	3184	0	2462	1282	1336	12852	13744	11007	3847	8704	976	0	3092	5155	5609	1831	0	0	0	0	0	0	2298	9804	3410	23487	922	2403	14107	5466	2302	2132	2339	0	2119	1971	1558	9980	16025	0	5105	9044	8509	7245	7348	2950	0	0	31518	994	5448	0	1128	16671	Phytochemical	0.6	1.05	0.05
16	C20 H21 O12 N1	468.11365	468.1143	-0.021299222	468.11365	194454	240652	229758	228174	279832	206364	74518	118102	351526	408574	229214	105307	537023	127542	166889	119520	92988	453780	424122	355764	441054	551708	200576	140957	73110	65066	71992	81676	93450	76978	108805	88418	156528	80456	518622	98243	142913	118810	81964	281778	265343	145555	7258	870	810	519260	1052278	1198	93091	108112	208942	241772	224396	1084	415066	267668	143126	99758	173314	92964	98054	278548	526085	306598	137005	335716	171406	91709	182028	172046	171822	97112	97574	87268	77592	65190	770	102959	162077	278838	117590	505747	71356	116168	334423	169730	71994	148413	165090	66698	58446	146515	125638	446356	444827	1196	222714	242806	264818	217060	269006	165983	87386	68646	515832	100582	260202	978	34260	521534	Phytochemical	0.6	1.05	0.05
26	C20 H21 O12 N1	468.11365	468.11432	-0.08618553	468.11362	5214	6658	5874	6188	7500	5787	0	0	8354	13386	3301	0	16104	1988	0	0	0	19704	4807	10355	13802	11254	0	0	0	0	0	0	0	0	0	0	0	0	13040	0	3552	0	0	7006	9264	0	0	0	0	19871	44689	0	0	0	4816	3710	3858	0	9914	8721	0	0	0	0	0	8562	13243	8151	0	5501	0	0	7591	4053	7227	0	0	0	0	0	0	0	2707	7421	0	18381	0	2935	11062	0	0	0	2348	0	0	2276	0	9696	11171	0	4445	6336	5902	4012	0	0	0	0	23855	1424	5060	0	0	14365	Phytochemical	0.6	1.05	0.05
18	C20 H21 O12 N1	468.11365	468.11426	-0.009524658	468.11365	89876	90023	94620	91614	125984	99084	22594	50414	152342	146394	76708	38444	303732	71322	70918	56276	32526	205776	198496	139404	190814	203542	90086	58970	31638	23232	29802	39948	39382	41860	39966	31264	56684	34894	170018	29878	55102	44450	20936	111176	127264	237712	5866	992	1440	236516	385042	1112	37416	39686	97932	93364	86564	954	237414	146520	64246	33978	48780	44276	49904	120974	228544	155806	69442	152830	72540	42499	70356	42159	68898	42368	28674	23760	37308	26502	658	42508	73262	153348	55574	231302	21144	47778	170797	89798	58382	62326	80568	23168	28068	60862	71266	189718	208404	1048	94486	94950	123316	105574	133024	62340	38002	49070	264734	50328	128350	1144	25989	230632	Phytochemical	0.6	1.05	0.05
20	C20 H21 O12 N1	468.11365	468.11423	-0.010284338	468.11365	20832	25128	30553	23015	41912	22543	8029	9146	41429	35840	19566	8756	84658	16594	15447	8366	4740	56227	57653	31074	43247	53279	21692	10712	4920	9788	5223	8138	12363	5710	6387	5624	13486	5214	32465	5901	16803	12814	5176	34590	28395	16262	2204	0	377	66801	144978	949	7999	7133	26541	25283	23185	316	62289	47743	15591	5577	15913	9972	8521	35194	71091	42983	16211	46800	22417	5850	25096	8714	15648	7198	8351	6792	8648	6325	636	10810	16599	38294	13660	66387	3848	0	56609	22208	13421	14444	20046	6530	9345	14343	17409	61314	40878	687	26161	29395	32429	31862	37013	13718	9520	12480	100627	12114	30322	909	7352	73114	Phytochemical	0.6	1.05	0.05
8	C20 H21 O12 N1	468.11365	468.1144	0.007903737	468.11365	16248	20069	13574	20072	16707	8175	3483	7053	23464	26562	23634	8547	36580	3666	6652	14059	13071	22294	23709	22544	37513	29663	10351	10348	2021	2195	3695	4394	4620	9266	5878	6409	10269	5916	38020	4981	10925	6981	12985	16524	35474	10950	439	0	0	27166	55659	0	5206	8872	17840	13512	12786	0	28401	22007	10073	5902	8561	14457	5359	19203	45887	27625	11658	25903	12477	14225	9923	4470	17682	6320	7408	5053	8549	6237	0	6385	8967	14981	9315	15784	2019	4495	26252	10177	8641	13054	11222	16296	0	10643	11702	31378	32669	0	14776	18551	24089	27210	26518	12918	6697	9257	15541	8222	18513	0	3944	34455	Phytochemical	0.6	1.05	0.05
28	C20 H21 O12 N1	468.11365	468.11414	-0.06630025	468.11362	6566	4217	7821	6742	8462	6804	1350	0	7870	15201	3564	1753	15559	2320	0	0	0	11890	7770	13096	15892	11429	2869	3204	0	0	0	2351	0	0	1796	1357	1519	0	18690	0	1706	1859	960	8585	11881	0	0	0	0	22957	44201	0	1716	0	6761	4821	5988	0	12084	5441	2182	1173	1651	2289	0	10142	14390	6727	1458	8033	3331	1130	8958	9805	14632	1217	1415	0	2348	1937	0	1364	2404	5020	1286	19912	1464	3680	7729	3521	2379	1792	2478	0	0	2037	2524	11650	11695	0	6136	7288	5405	4277	4619	0	936	0	25309	1559	6547	0	1280	15121	Phytochemical	0.6	1.05	0.05
14	C20 H21 O12 N1	468.11365	468.1143	-0.018086826	468.11365	76679	70782	68523	72424	79109	50626	23540	41247	118731	111082	104540	42994	185095	38071	45917	50210	46601	134260	119825	118153	194032	218251	60736	40877	21092	18350	23622	40044	37562	32844	32043	32181	59194	28175	164594	30999	45557	38487	37588	96812	132009	59080	0	0	0	151260	327781	470	31074	30168	69405	58557	68202	0	138273	93642	45071	44378	44111	45130	45964	123798	170268	114078	42255	108840	56669	32159	60338	31719	58593	27210	25090	31179	36877	24304	0	35434	42571	145689	36414	129465	20188	35156	112294	65080	51060	55529	47818	46630	21658	42024	65415	181748	171154	550	81286	84033	83909	81202	97348	47513	36978	53372	262311	46418	81077	0	27447	143220	Phytochemical	0.6	1.05	0.05
10	C19 H21 O11 N3	468.12488	468.1257	0.030784298	468.1249	77661	76458	71127	66880	82079	39398	27265	36944	110533	143395	102194	60731	126938	12208	36851	33733	46965	109059	99303	112264	157638	145461	68341	47031	8446	11758	29133	15765	25468	31179	27994	36015	61585	20519	167898	31625	53466	48401	49773	76264	119260	45928	747	0	0	72047	229796	0	36634	40269	60033	81208	53616	0	105004	78607	43419	47523	29625	62996	19257	74364	170979	109711	38854	102114	47849	56239	33976	33812	64623	37891	25560	31553	42485	30079	0	28832	65858	58246	51868	87203	23228	26611	95162	47092	46510	53937	54394	71259	15482	30616	67699	142578	123462	0	86568	80335	91475	96061	95905	65213	46217	33283	63605	49025	68901	0	15924	147968	Peptide	0.57894737	1.1052631	0.15789473
16	C24 H21 O9 N1	468.1289	468.12952	-0.042296667	468.12888	8803	12932	13535	8425	8572	5466	0	1772	12080	66067	33755	1886	10445	5849	3791	1719	0	9112	11720	36238	39861	28494	2580	2667	1510	49551	1019	22560	0	0	3547	0	5978	0	80812	0	0	2830	3188	25544	34270	2453	0	0	0	17824	30333	0	2008	1048	12060	13976	3419	0	9967	8338	4005	3751	0	3542	0	19932	12064	8945	3593	13808	3857	2232	44694	66341	82885	1362	0	0	2187	2190	0	1089	3678	22704	3280	14667	4024	19235	8962	3199	6536	3385	3022	0	5528	9109	0	30130	42818	0	11419	12320	6246	8213	7655	3217	1798	4623	12715	0	8128	0	3632	13127	Phytochemical	0.375	0.875	0.041666668
20	C24 H21 O9 N1	468.1289	468.1295	-0.027269395	468.1289	13244	13240	13365	13127	11890	6340	2622	2809	10671	63310	44697	2260	16809	8656	1349	4274	2119	18890	17737	39429	47144	32340	5520	3712	3398	54675	4162	35511	2462	0	2629	2334	5751	1931	84878	1974	5144	1950	3509	44503	48473	4517	0	0	0	27283	39775	0	3165	1739	12474	13210	12152	0	13869	11449	5873	4559	3118	4665	4745	28357	20762	11115	7383	13861	7133	4304	54618	66293	79225	1958	0	0	1390	0	0	2242	7876	40281	6509	24187	2368	38089	12665	4393	11021	7059	4742	7392	11023	8514	8071	45976	51596	0	13436	13144	11512	9708	10668	4557	0	8061	24387	6084	10258	0	2943	11360	Phytochemical	0.375	0.875	0.041666668
24	C24 H21 O9 N1	468.1289	468.12936	-0.11869755	468.12885	5245	5472	3457	2968	3160	2460	0	0	4875	28925	9707	1170	4510	2912	0	1729	1355	6765	6808	8718	15273	13988	1425	1567	0	8297	1387	6781	0	0	0	1420	1969	1171	25246	0	0	1269	0	10289	14457	0	0	0	0	8358	21153	0	0	0	3432	5133	3053	0	4737	2546	0	1320	0	1701	2242	9261	5170	5523	1347	4283	1692	1383	15872	20001	27749	1867	0	0	0	1020	0	1049	2620	11333	3406	13292	0	8792	4564	0	1846	2721	2760	1842	3329	5568	2443	20542	22764	0	4320	3191	3545	4733	2388	1789	1046	1227	7960	2372	1962	0	1986	5213	Phytochemical	0.375	0.875	0.041666668
18	C24 H21 O9 N1	468.1289	468.12952	-0.06784847	468.12888	14133	19114	17306	17442	13774	7209	2278	3425	11032	72588	47281	2098	16737	5378	0	4792	2563	16959	16728	44829	54691	35829	3904	3701	1439	55194	4187	27106	0	1854	3573	0	4366	0	85761	0	5509	0	5712	36800	39196	6321	0	0	0	35366	31552	0	3480	2445	11886	16110	10486	0	11366	13758	5641	6291	2863	4175	5738	26716	27087	9991	4634	14234	10162	2603	58694	67263	94674	1612	1922	0	2679	0	0	1916	9254	34378	7246	21217	4547	26720	11086	6567	11090	6437	5242	5115	7946	11016	11883	52206	63946	0	13963	10430	8464	10771	10151	5289	0	4836	22295	4363	8949	0	3212	17837	Phytochemical	0.375	0.875	0.041666668
22	C24 H21 O9 N1	468.1289	468.12943	-0.13373885	468.12885	8169	10571	11776	10860	4564	6536	2121	2928	7209	42777	34764	1491	9979	4608	0	4431	0	9053	7602	16174	29480	23579	3835	5339	2141	32449	2613	22434	1396	1973	1382	0	0	1717	51703	1357	0	2484	2200	25346	27158	2495	0	0	0	30007	30664	0	2279	0	9078	9994	6183	0	7637	3690	5154	2584	3942	4112	4588	19843	13138	11084	1974	8916	7020	2773	40477	39080	50107	0	0	0	0	1153	0	1692	6997	24548	4104	22560	3073	14293	12637	5124	5888	4794	3921	5607	3867	10156	7700	35702	33873	0	8565	7160	7642	5463	7915	1543	0	3767	18064	4453	6637	0	1699	14246	Phytochemical	0.375	0.875	0.041666668
18	C21 H25 O11 N1	468.15002	468.15063	-0.030016335	468.15002	167792	157400	143056	146260	150625	121924	74055	153274	162306	350579	152143	83613	285128	77920	130602	125240	81452	0	231286	359746	337490	249593	130145	144310	92269	185844	63682	100433	134101	114009	109318	120123	132659	120110	367885	138167	136484	1165	72308	283920	164306	96712	7223	1048	581	392048	360367	914	123276	124132	154729	160442	112635	699	257751	135674	84212	104206	117626	70939	143298	216141	212644	149523	70371	155272	103811	57975	185437	212910	198437	0	104672	135657	95585	121379	697	92384	111811	138481	107299	254195	75504	131992	181744	121123	88904	86120	97110	58974	112932	151858	185148	164317	274920	1564	149115	181677	138684	114444	130280	137922	83761	160964	259049	89912	146712	871	68385	207170	Phytochemical	0.52380955	1.1904762	0.04761905
22	C21 H25 O11 N1	468.15002	468.1506	-0.070099615	468.15	59922	68842	55490	70038	79800	60202	17440	55768	77288	137476	42502	30124	108760	37604	38960	49664	31884	132340	81670	149110	154262	93088	54336	68348	39620	89900	20680	31592	44882	45200	35346	31800	32854	43554	113132	42208	49570	43104	26302	95216	82272	34732	0	0	1276	194450	214790	0	37520	52190	65468	47928	49352	1322	83406	67216	36098	29608	34008	29664	38332	101210	96468	73806	29090	81212	41204	25364	105217	114855	98014	57904	33452	46114	39962	45894	1166	31888	50876	43098	43740	154420	25348	72620	87740	51050	35230	32814	44772	17486	23932	50752	37892	64548	94736	0	54450	65530	72938	55054	56362	34668	28694	47188	176692	33590	66178	0	35738	121516	Phytochemical	0.52380955	1.1904762	0.04761905
20	C21 H25 O11 N1	468.15002	468.15057	-0.068336576	468.15	158730	158456	154046	144220	172152	148956	61546	158782	201442	321412	136108	74596	289550	88940	121372	105376	75784	253910	239450	369772	367270	224452	136762	151706	87642	189288	53624	91551	149376	109480	110486	83486	126708	97022	363078	110870	115816	86372	72916	254954	188210	87534	8062	1658	1448	418192	476162	1812	110416	131129	160764	168694	129856	1824	252134	162502	85158	102918	124640	62034	128636	212972	227744	179716	81514	166200	110380	62876	219730	262550	234848	123796	0	128912	83908	95910	1370	89888	114598	152442	0	268500	86072	162404	196192	105898	75264	84600	92996	43150	87534	131428	150122	163056	203500	2362	171092	182904	163566	118288	149788	110336	77254	128066	342838	103710	161044	2604	77558	285874	Phytochemical	0.52380955	1.1904762	0.04761905
24	C21 H25 O11 N1	468.15002	468.1506	0.015816828	468.15005	12745	10283	13262	11038	16003	15107	1713	7520	15651	35405	10861	6562	29330	5415	6810	6204	5727	23638	13850	29851	35059	16057	11413	8678	3226	20094	3940	3335	6299	6309	8043	4592	6666	6494	31153	8428	5758	5403	2644	25098	18304	6093	0	0	0	46527	56255	0	8781	7500	14593	8119	12031	0	21140	14824	6706	4784	6443	3900	8768	16998	23560	18096	6212	19092	6172	3903	21148	30132	20970	9787	8825	8865	7143	4428	0	5786	12066	9020	12922	28006	6318	15999	20063	10433	5612	5932	6552	1952	6591	5197	6087	14832	23041	0	11449	12772	15430	5382	12566	4464	4004	11671	34575	8428	10134	0	4319	35277	Phytochemical	0.52380955	1.1904762	0.04761905
10	C21 H25 O11 N1	468.15002	468.15073	-0.02316021	468.15002	103113	99546	89422	91564	56787	50143	51613	104206	72493	203699	117075	61293	108144	30554	68642	95720	73575	97514	95319	178023	205452	330844	81988	108487	38061	68328	57972	65849	74119	85289	78259	89268	97281	72667	238235	82011	89462	66244	82334	139554	311548	50306	1633	0	0	152703	196368	0	82936	92303	91650	96796	49775	485	104143	62520	36477	88432	91137	80929	104869	112622	104230	89205	36044	75738	56612	83929	102104	91117	109274	85893	75796	84091	66099	81456	0	59035	68577	98568	64374	97132	58032	73618	70925	49090	60116	46134	56204	75258	61896	84875	119984	116002	151343	0	96508	112054	58672	52736	56179	95206	58740	120141	139492	75189	58432	0	50258	98778	Phytochemical	0.52380955	1.1904762	0.04761905
12	C21 H25 O11 N1	468.15002	468.15076	0.007139327	468.15005	169777	185288	173545	169151	104668	82728	125346	212465	146411	363487	212947	106454	169833	55820	133808	143819	138163	187193	197125	380583	412568	347848	155257	180129	90637	127635	80908	118226	161239	144072	148925	136668	194332	130539	537383	140300	144100	125102	135067	310730	326785	101613	4131	413	395	325014	396844	0	139676	168867	173117	168717	97600	431	207258	102672	68954	149490	206318	148054	176526	248765	203931	150290	62310	132254	105387	161433	232579	192893	203386	140933	144743	163194	115727	122605	194	119469	123462	160849	106708	216558	110442	160629	128115	89064	114990	74549	102780	157870	97322	157273	185830	221773	230788	942	168085	215531	130636	87418	104343	167256	110556	187904	368527	135012	108210	0	91327	187282	Phytochemical	0.52380955	1.1904762	0.04761905
14	C21 H25 O11 N1	468.15002	468.15073	0.004718861	468.15002	248087	252487	216422	243607	153952	150786	148361	253978	203936	520533	266234	136844	280783	96577	203388	204116	156403	297875	275147	565912	581910	446348	212066	239418	144006	216448	119324	220748	214449	226096	194641	220504	245843	168257	687819	217623	205070	150844	128855	432534	310985	140770	6516	638	291	529847	537303	435	191073	217379	228631	225964	136038	608	305604	154656	102118	203485	293549	154128	279251	354255	266706	212393	88488	186888	157579	128404	317285	302227	253914	0	198998	234517	140922	190151	501	163327	160633	250899	138338	331784	139015	207685	193968	155217	133349	126288	145146	138855	177228	220274	277315	286357	347727	1806	240465	292499	159769	124763	139027	236539	149522	277190	514938	181442	167981	464	112724	255213	Phytochemical	0.52380955	1.1904762	0.04761905
26	C21 H25 O11 N1	468.15002	468.1505	-0.044979665	468.15002	5643	7192	8905	4714	10812	5657	0	0	12948	19132	4223	3435	14945	3457	0	0	0	16190	8429	22931	31764	8971	0	6149	0	9844	2747	3758	0	0	4679	6071	2605	2978	16994	0	5621	2869	3201	15819	12259	0	0	0	0	31055	34915	0	4696	7592	8044	5071	6740	0	11214	0	0	3320	3272	3603	4649	13923	9485	7891	0	8533	3552	2280	12760	23219	22742	6290	0	0	0	3206	0	4233	6799	0	5384	18048	0	7447	9676	0	1868	3149	2450	3130	4265	5032	0	7090	16972	0	9185	8107	9051	4621	5560	0	0	0	17237	2655	6234	0	0	17697	Phytochemical	0.52380955	1.1904762	0.04761905
28	C21 H25 O11 N1	468.15002	468.1506	-0.029870305	468.15002	7610	8554	7054	7514	8612	6382	1490	5222	7019	20718	5529	1491	12143	2209	2587	4767	2958	12064	6588	25486	27150	7951	3625	5581	0	13114	908	3605	2714	3147	4382	3817	4380	4044	23672	3737	5929	2566	2390	10449	10690	2195	0	0	0	19745	24488	0	5276	4472	9943	6753	5884	0	7290	5861	3485	4245	3828	3212	4316	9897	11654	5566	2692	5810	5143	3023	14643	27883	21714	4144	3265	2462	3360	3867	0	3069	3312	2851	5098	14582	3859	10229	8426	3343	2882	2897	2700	2516	2381	5732	4493	5541	7183	0	8230	7104	5487	5027	3443	3440	3428	6600	18091	4291	5531	0	1674	9910	Phytochemical	0.52380955	1.1904762	0.04761905
12	C20 H25 O10 N3	468.1613	468.162	-0.04652471	468.16125	25104	24360	25866	20933	13935	15991	20114	50703	18074	19160	12046	21058	19007	5016	39810	24330	28995	18487	34385	25745	23761	49311	33338	40713	20870	0	10052	0	35121	24311	31330	25509	39041	27711	38559	24803	33829	29405	30740	34912	17479	14143	342	0	0	33950	26059	0	30316	40619	30907	33896	16064	0	22139	6912	11429	40258	36747	20525	39587	27493	26338	17956	11287	19525	19386	37509	0	7100	4284	33980	27103	27682	22171	21699	0	24266	26332	0	23305	16623	23597	5339	10913	12673	29109	17332	23087	52606	22595	42293	64704	12237	16059	0	29384	32151	6444	8205	6471	33609	24323	30343	22641	37918	9229	0	23112	26959	Peptide	0.5	1.25	0.15
8	C20 H25 O10 N3	468.1613	468.162	-0.081601605	468.16122	42245	42980	26229	38426	15665	13242	20793	37592	24806	35759	22072	32845	27666	7139	30185	39543	37285	32246	34242	36845	43059	64725	34788	48185	21025	3194	20377	8713	32634	34031	34670	41031	41313	33194	49836	38116	45275	30935	44287	38868	41096	22202	0	0	0	35588	52882	0	40807	37789	43606	40655	20265	0	32682	14909	19134	37631	36581	33941	51320	29707	36282	28675	16471	28544	23035	47677	4757	9443	8926	41660	37064	34543	23957	32990	0	27542	29718	15566	23579	22527	22643	16829	16053	14525	29593	25124	22999	63493	18453	44899	72046	28248	26797	0	38436	38588	13382	13005	11901	42077	28113	48943	19703	46758	11872	0	25325	40876	Peptide	0.5	1.25	0.15
16	C20 H25 O10 N3	468.1613	468.162	0.028100388	468.1613	84311	86794	85477	82456	59438	56749	47335	68922	77254	209779	84635	43296	101369	34667	73291	62402	34393	93732	104944	162659	155648	121611	71615	63539	53119	70785	40458	74995	85803	70629	81950	89734	75739	58487	257798	63935	80497	58353	40541	122189	70293	36167	1174	0	0	143303	111237	0	77533	67263	78539	71759	55927	0	103817	42832	34000	71035	84201	34851	70167	79965	94594	67511	26497	77787	54128	39171	58616	124402	84869	80169	71555	86760	45304	73728	0	58176	51447	52606	52420	96320	51849	70111	57467	41073	59056	39182	51035	37550	68084	73059	76883	63915	101790	0	85758	86884	54136	40426	38398	70836	47482	76708	91191	64114	51123	0	47909	103063	Peptide	0.5	1.25	0.15
14	C20 H25 O10 N3	468.1613	468.16193	-0.02727164	468.16125	14246	11437	12726	13716	6289	9057	12646	25342	10091	0	7705	11109	11365	6857	22855	23560	12542	12213	17713	7744	9207	26635	14700	20529	15220	0	10706	0	18183	14651	17791	19803	23618	13480	0	19783	20227	18032	11048	11312	14109	9827	0	0	0	15738	15983	0	17911	13317	14232	10026	8038	0	14772	4611	6610	22896	29057	10119	28040	11934	9801	8973	6843	9983	13250	10674	0	0	0	12759	12867	13211	13369	15217	0	15885	14245	0	11677	9093	12450	0	4301	10285	13940	9303	13148	18228	15497	19137	42320	9765	6871	0	11665	17209	4850	4097	3624	24070	11671	17272	0	18252	6106	0	10669	11609	Peptide	0.5	1.25	0.15
6	C20 H25 O10 N3	468.1613	468.16202	-0.078665115	468.16122	18843	23468	20721	21938	10753	9304	12058	25692	14537	16963	12482	17389	20608	3575	15391	27186	22118	19048	22593	15773	23104	34297	19528	28994	8623	794	10553	4498	17956	19783	20502	20951	25929	14506	23896	20468	27735	16087	32922	19842	28339	12469	0	0	0	22460	30951	0	25084	22233	23397	26203	12070	0	22074	9598	9883	27148	17679	23258	24231	14628	25233	17957	10123	16708	14436	36548	4243	3927	6817	20932	18613	19422	13609	16900	0	14377	15489	6322	12268	12158	11218	6489	12378	9950	16389	19905	14804	33083	18867	26902	43991	19097	17402	0	19367	20160	6762	8854	11063	27568	14589	25989	16364	25388	8760	0	13159	30308	Peptide	0.5	1.25	0.15
10	C20 H25 O10 N3	468.1613	468.16196	-0.07039441	468.16122	38010	42139	35002	30308	11144	18780	25187	50321	23577	30431	12801	30163	26936	9632	33879	45300	42009	32164	31992	38275	33638	59484	39957	48335	26700	0	24256	8929	40648	38487	40302	42776	50991	40288	37735	40389	56785	33131	36463	37295	41322	19905	0	0	0	50313	43695	0	39631	42645	39267	41215	20760	0	30123	12219	14631	48133	55833	26769	50043	30043	29856	27373	16284	28342	23699	46534	0	7929	5061	41331	36067	38909	30361	30341	0	30713	31744	27491	28033	23234	24435	12649	16186	14167	32234	22394	24910	59931	25602	51114	80875	24123	28106	0	39484	36495	10189	10359	14894	52024	28342	49454	27101	42160	14467	0	26327	38756	Peptide	0.5	1.25	0.15
24	C25 H25 O8 N1	468.16528	468.1658	-0.081145	468.16525	5287	5728	7966	5226	5475	2411	1556	1642	4065	29959	22989	944	5756	4777	1960	2054	2315	5348	10426	16777	13819	13469	2750	4745	2496	22626	1226	20405	0	1806	1353	1232	1848	2303	23809	1973	3116	1222	2617	23189	18777	3551	0	0	0	16080	19698	0	1276	2081	5675	4402	3522	0	3064	3765	2927	2000	3254	1880	2900	8770	6259	2184	2080	6266	5162	2230	39351	35695	50748	1570	0	0	0	900	0	0	4403	13235	1768	8180	2607	15080	7212	0	3578	2116	3463	4505	3450	5516	3252	14539	17093	0	4980	4568	2177	5402	3855	1397	0	4934	10754	2260	3814	0	2848	4047	Phytochemical	0.32	1.0	0.04
14	C25 H25 O8 N1	468.16528	468.16592	-0.093008555	468.16525	6837	7345	4138	3558	5106	4580	0	4156	6838	28778	27662	2304	4680	5498	1392	3135	0	3642	6420	33293	29026	9599	1905	0	3623	47742	1910	19495	2400	2322	2303	0	3070	0	29271	2420	3652	2675	1286	19988	16195	2951	0	0	0	12450	11866	0	2702	0	5386	5686	4147	0	1904	4378	2950	4438	0	0	0	6340	3986	3347	2239	4546	3407	2743	34263	57675	52997	1635	0	0	2505	2412	0	1441	4324	0	1926	6319	2396	12304	4725	0	3418	3051	0	0	5430	4226	5243	8779	15106	0	6515	4582	5075	3469	4912	0	0	3482	0	1890	3038	0	2081	5140	Phytochemical	0.32	1.0	0.04
16	C25 H25 O8 N1	468.16528	468.1659	-0.08334082	468.16525	8428	11170	14881	9458	5314	6488	3299	4655	7626	46644	35744	1282	6488	5523	1554	6577	2353	5538	8101	43256	44596	15472	2621	7175	3965	60245	3295	29167	3691	4584	4005	0	6288	3747	50258	0	6361	3646	4133	35446	27004	3817	0	0	0	19445	20491	0	6019	1837	10208	12191	6605	0	7507	5143	2810	7518	2377	5982	0	15999	12803	3606	3018	8432	6757	4589	52059	83212	90680	3577	3523	1758	0	3318	0	1688	5940	16313	2424	12891	5899	19709	5674	4197	6086	4424	4245	0	14771	10205	0	21610	33185	0	12549	9673	6939	6495	5901	8449	2613	4342	6822	0	3759	0	7561	5089	Phytochemical	0.32	1.0	0.04
22	C25 H25 O8 N1	468.16528	468.16583	-0.10607184	468.16525	12814	14732	13155	13856	11086	11721	2217	4430	13871	53376	46326	3046	9509	7616	4086	3543	4787	9215	8917	37188	45247	26585	7378	6857	3991	66664	2752	43727	5137	1892	5723	0	9473	6124	59578	4798	6192	4149	0	44597	49821	6610	0	0	0	32616	35850	0	4724	2454	18301	11833	7902	0	9552	8670	4842	3863	5831	7240	5790	32227	14431	10701	5407	14549	7396	5088	68749	80770	95639	3703	0	1102	3379	2563	0	3320	8632	20866	5123	23742	6496	31002	13324	8259	9956	4649	6649	10173	11803	8036	7647	31324	34272	0	13985	20058	11819	11053	9232	5956	4190	7233	17197	6906	10674	0	5278	14367	Phytochemical	0.32	1.0	0.04
10	C25 H25 O8 N1	468.16528	468.16608	-0.026534693	468.16528	2365	2244	2528	0	1709	1852	0	0	1666	14111	15133	0	3084	0	0	2063	0	1440	1766	13117	13479	5899	0	1734	0	18600	1538	6740	0	0	0	0	0	1139	13628	0	3081	0	2785	7922	6271	1416	0	0	0	4484	6388	0	1328	0	3518	2987	1314	0	1524	1997	1253	0	0	0	0	5236	1607	2106	0	1765	2293	0	14352	23753	26451	0	1012	0	0	1014	0	970	0	7325	0	1921	0	4556	0	0	0	0	0	2594	0	0	1836	8296	10480	0	2529	2684	0	1550	0	2051	0	0	0	0	1299	0	1809	1357	Phytochemical	0.32	1.0	0.04
22	C22 H29 O10 N1	468.18643	468.187	-0.061773118	468.1864	99237	90879	97245	86515	95276	78430	33364	106890	111089	191337	73998	55079	137747	50619	0	91096	46489	145374	114007	210165	198710	82096	0	102337	64334	162799	24654	53614	0	0	0	61393	77883	0	169395	0	92374	57683	46992	126848	75736	49489	3715	0	690	156745	150935	0	74603	0	97875	91628	69345	558	122280	83178	44523	69608	62350	46012	85184	105501	125992	89786	40771	0	58528	34925	149878	228518	158085	85385	80081	0	52925	68499	518	0	81378	45242	71398	100655	54793	79775	114019	63053	60265	51008	0	39392	57905	78140	84769	47403	103746	0	89772	102190	74608	68309	76955	75432	55265	96046	118514	68892	72534	0	0	0	Phytochemical	0.45454547	1.3181819	0.045454547
26	C22 H29 O10 N1	468.18643	468.18695	-0.12485679	468.18637	14307	12122	15362	10873	16677	13883	3283	9648	15486	38141	8155	5866	27233	10282	7400	9914	0	25431	16399	39738	42289	9523	12608	15847	0	22031	3029	7931	7277	9085	9040	4738	9937	10493	32066	9620	10887	4977	7910	16781	13490	8808	0	0	0	23471	22450	0	9890	10998	10447	10804	12251	0	21507	12866	5132	7470	6681	3811	10469	11786	20585	14096	4028	18135	6523	4083	26570	43946	35292	13767	11089	10030	7450	5976	0	7540	9746	0	6274	11145	3771	14012	16624	9448	5855	7885	6697	6097	6140	8436	12985	3253	10750	0	14179	16106	8832	9565	11016	7961	4226	13003	14171	8957	9307	0	4638	27022	Phytochemical	0.45454547	1.3181819	0.045454547
8	C22 H29 O10 N1	468.18643	468.18726	-0.099814676	468.18637	42623	44443	71056	45128	20801	18068	22145	47836	24553	150148	35581	51938	44945	13095	62786	48298	54642	28455	36863	142668	142544	140170	34837	52173	42300	23396	37062	17867	77860	76066	35937	45537	79108	65084	189664	44095	45243	23611	71636	55308	52336	19798	0	0	0	50761	43859	0	89208	42018	46708	42229	22333	0	34557	23302	14703	37156	35703	28878	44896	34708	39626	31157	13128	31765	22416	68162	30987	39556	43130	38365	70530	39107	24910	73270	0	26617	61792	25510	46126	53992	27832	28486	22193	13390	26543	15728	25491	39713	33281	51541	116208	38621	111582	0	74280	42819	18820	23110	21587	73780	25800	57571	26197	35346	17683	0	48132	40183	Phytochemical	0.45454547	1.3181819	0.045454547
24	C22 H29 O10 N1	468.18643	468.18695	-0.10683098	468.18637	33166	28097	30439	29431	0	26670	10918	33144	32999	76601	27393	21911	62221	17272	24609	29506	14775	0	45460	72061	63455	27375	32555	0	13811	47510	8493	16839	24728	25777	21130	20208	0	27295	69610	23719	26082	19279	12941	40620	36992	15162	0	0	0	58010	69908	0	27160	27555	33849	32683	0	0	40003	31030	11828	22710	19212	13774	33272	35153	44904	34801	11562	34547	16979	12744	59018	74846	74420	30411	32483	28673	20750	17064	0	22007	25940	10492	29378	32341	11523	31539	40230	20906	17862	18078	0	13958	14357	14585	30396	13366	28827	0	29171	34492	27410	20193	25209	24191	19896	32061	40169	24102	26339	0	12052	0	Phytochemical	0.45454547	1.3181819	0.045454547
6	C22 H29 O10 N1	468.18643	468.18723	-0.1122141	468.18637	18200	20020	31760	35922	11113	11829	10772	23409	13316	36055	18235	11769	23243	5010	14704	40346	14976	13391	16654	31411	35221	30696	27942	26632	8789	8672	7947	12847	18339	18429	33402	41046	22791	33718	82456	36028	23019	21378	14849	20177	24459	9540	0	0	0	21234	23280	0	21796	18265	38468	41082	10896	217	16008	13867	7790	22041	12755	14540	19158	15799	20488	17200	5013	19067	9791	15884	10138	14735	20524	17393	16884	17991	7779	15285	0	11507	13603	7647	9321	10537	21296	10942	12187	7593	13177	9130	10803	20590	13399	46404	49428	18000	27539	0	22410	21324	7882	13293	14849	19700	12585	29349	12277	37254	9067	0	7784	20518	Phytochemical	0.45454547	1.3181819	0.045454547
28	C22 H29 O10 N1	468.18643	468.18695	-0.09251124	468.18637	7735	7081	8448	7025	5958	6651	1656	5988	6786	22382	5902	3206	15715	2319	5150	7101	2928	9429	10604	24933	23082	7137	5941	10653	3454	22430	2293	5274	7426	5054	3310	5577	4986	5312	20113	5267	6098	2361	4447	13007	8124	3437	0	0	0	14629	14277	0	6188	6179	7826	7288	4956	0	8160	6882	1935	6014	3727	3090	8949	6813	7463	7018	1806	7878	4213	2387	17635	32574	22194	7685	4490	6713	6204	5428	0	4995	6402	3045	4583	7577	3708	8246	6260	2984	4759	2864	3198	2038	3781	8453	5677	2440	0	0	7595	8983	4550	3491	4557	6255	3223	6570	10745	4810	4681	0	3143	11238	Phytochemical	0.45454547	1.3181819	0.045454547
6	C21 H29 O9 N3	468.19766	468.19843	-0.11918218	468.1976	24740	23677	19982	24077	9358	11427	15615	28586	10812	19319	10308	11425	12099	4998	19322	25991	15173	16024	16596	19205	17512	32853	19537	32054	13973	1115	9915	17279	25788	20397	20735	25306	32428	19874	26457	25191	29023	16597	26542	19158	17888	11025	0	0	0	20614	16100	0	29716	20391	19357	22454	9614	0	17038	6450	6884	29282	17836	13393	24808	12870	15304	12083	5698	14475	13920	24263	2982	10447	5851	20728	17911	18266	9209	17287	0	15215	14245	5799	14232	9760	13589	8118	8505	8842	17558	12894	16220	33921	168359	153959	47414	12968	15383	0	26839	19722	5392	5166	7067	28567	12999	27868	8103	27671	5985	0	14658	15602	Peptide	0.42857143	1.3809524	0.14285715
10	C21 H29 O9 N3	468.19766	468.1983	-0.104652494	468.1976	29992	28057	27302	26110	8318	12013	22249	43470	12494	25334	7607	17658	10537	6208	29622	30899	16452	18898	18303	26524	22553	44838	26528	42142	27461	1840	19017	15000	30238	28574	32345	40671	43354	34515	31804	36611	45572	22748	22661	29454	15544	13756	0	0	0	34071	18842	0	40489	25954	27344	28936	13576	0	20622	7042	8569	44090	39534	19350	39376	17290	13316	15075	8073	15557	16723	23304	0	7862	6346	31637	30752	30500	20595	29130	0	25421	23330	14039	23428	14905	29905	13322	7101	8827	24133	16287	18559	34199	57409	51905	64325	16792	29565	0	34475	30121	5766	5324	4288	34415	21383	35166	0	43280	7617	0	25154	18842	Peptide	0.42857143	1.3809524	0.14285715
8	C21 H29 O9 N3	468.19766	468.1984	-0.07543155	468.19763	35188	36132	28317	32197	10609	12256	17511	37082	14467	28365	12778	16221	16362	4717	26949	32904	20083	17197	23587	32082	23214	46856	27432	41491	24911	2315	17119	14501	28443	26613	26924	32579	38666	25794	33106	31204	34905	23175	24769	34578	19400	14110	0	0	0	31346	19477	0	37274	26625	29628	31811	12098	0	19053	5837	10800	34221	32228	18893	30244	23793	15976	17310	7208	18861	15702	25042	4171	10859	4418	33442	26502	24303	15208	24326	0	21351	23313	10778	17106	15673	21003	16266	10083	10033	23263	13377	17539	39757	160145	171513	61040	19472	24875	0	32562	31487	8661	7913	5757	33431	17469	38548	7944	32452	8106	0	22522	17622	Peptide	0.42857143	1.3809524	0.14285715
14	C21 H29 O9 N3	468.19766	468.1983	-0.0793484	468.19763	12629	22089	19176	14859	5837	6236	18408	19476	8729	8753	10489	8378	6003	3401	23460	13364	11941	11398	10309	14064	6429	28424	16948	24693	26365	0	11357	0	23170	15708	18218	18845	25144	18536	11138	17727	21140	13887	9560	12791	7057	7394	0	0	0	10606	0	0	22294	16104	11609	12193	7966	0	10011	3026	6118	23531	36302	0	0	10215	7324	8850	5302	8583	8586	12647	0	0	0	20728	16829	18711	9980	15761	0	12610	10202	0	10573	6426	14329	4143	2748	0	14311	7097	11309	10690	32123	30026	38886	11390	9735	0	15246	12576	3614	0	2558	19266	11498	19989	0	15824	2540	0	13004	9197	Peptide	0.42857143	1.3809524	0.14285715
4	C21 H29 O9 N3	468.19766	468.19852	-0.058349263	468.19763	7476	6666	5411	4983	3532	4445	3746	9708	4826	6341	2683	4211	7086	1424	7704	9241	8226	5631	7688	5953	5691	13294	6812	11732	5977	516	2611	0	7900	5223	6346	8646	9615	5898	7560	6961	10124	6550	10963	5070	6008	3607	0	0	0	7427	7406	0	8633	7768	7060	8614	3450	0	7698	3084	2826	10054	7947	5367	9283	4219	7439	5713	3050	5019	4353	8396	1177	1938	0	5750	5574	6673	2281	5689	0	5211	6461	0	5660	3027	4127	2733	4137	3412	8012	3756	6032	10957	25829	20581	16318	3967	4731	0	5871	7909	3398	3032	4025	9120	4357	10557	4197	9546	3801	0	5699	7385	Peptide	0.42857143	1.3809524	0.14285715
16	C21 H29 O9 N3	468.19766	468.19833	0.13243319	468.19772	75300	87094	73368	80372	46006	41416	63085	101657	66121	169593	68641	58972	56404	29375	83714	82474	53194	70045	90729	150629	146864	94563	88309	96704	80893	76492	45541	84806	96800	83241	10453	95890	99830	72126	178799	91136	97066	69019	54710	91931	70751	46560	1153	0	0	0	66294	0	102620	97921	87642	70675	56198	0	90343	50423	39266	86479	83483	47770	91220	63475	72031	58033	28205	53363	53273	43688	68119	123264	112051	94895	88249	97932	65231	94097	0	72479	80843	38160	66344	69312	65853	63172	58280	44000	73698	37747	46428	54969	85899	15665	83683	53236	70174	0	84419	87825	50049	45713	48535	85462	55784	91570	50805	62261	46962	0	65910	74671	Peptide	0.42857143	1.3809524	0.14285715
14	C26 H29 O7 N1	468.2017	468.20233	-0.09843081	468.20163	3589	4002	4151	7509	1385	1731	0	1444	0	14783	17807	2088	0	2249	1891	0	1788	3529	3007	18750	24002	0	0	3973	5115	30150	1866	14578	1887	1562	0	0	5325	1953	14977	4542	2449	1443	3977	10584	9723	1075	0	0	0	5482	6758	0	4513	1940	4770	5181	1552	0	1815	2491	1740	2256	0	0	0	3789	0	0	1024	0	3589	4416	19102	33274	37550	1402	1795	1889	3189	2964	0	0	3317	0	1810	2298	1056	9198	1148	0	6012	2651	0	7748	3762	3392	7037	4218	8771	0	4078	0	2096	1675	1706	0	1715	0	0	0	2283	0	3521	0	Phytochemical	0.26923078	1.1153846	0.038461536
26	C26 H29 O7 N1	468.2017	468.2021	-0.14172679	468.2016	2951	4116	3848	2578	2080	2739	0	0	2412	10378	11021	0	0	4085	0	0	0	0	0	5807	10523	5043	0	0	0	14931	0	9259	0	0	0	0	3571	0	7295	0	2796	0	2648	7681	9284	0	0	0	0	5677	7912	0	3746	0	6503	2596	3182	0	0	0	0	3274	0	0	5164	4534	2088	0	0	3082	4371	2277	19113	17144	27124	0	0	0	0	0	0	0	3538	5452	3495	0	0	8299	0	0	5320	2899	0	3599	1914	0	6497	4895	0	0	5016	0	0	2680	0	0	0	0	0	4848	0	0	4720	0	Phytochemical	0.26923078	1.1153846	0.038461536
24	C26 H29 O7 N1	468.2017	468.2022	-0.07038981	468.20166	11278	8948	10128	12262	9222	5209	1583	5245	7274	29973	33786	2290	5652	4530	4491	10468	7152	3410	7280	28030	36303	13578	7753	10524	7226	52103	2776	31743	5782	4302	4281	5797	6114	4032	26589	3875	6136	2270	4842	26602	34522	3957	0	0	0	19020	19342	0	6764	6265	12621	11378	7775	0	5165	4621	3600	10091	7084	5724	8245	18954	8113	7120	2732	10371	7650	5224	60403	55016	64610	8246	5749	2831	3647	7300	0	5001	11041	16718	3619	14442	5792	24824	9654	5441	7939	9419	8552	9339	8463	13211	17167	17179	13986	0	8805	10403	4794	7426	9756	7505	4769	8107	11183	10999	4362	0	4141	6390	Phytochemical	0.26923078	1.1153846	0.038461536
22	C26 H29 O7 N1	468.2017	468.2022	-0.09249778	468.20163	22092	25493	18390	20798	14627	11459	6134	10791	15800	39267	56668	9255	5026	11114	6039	15937	13287	12992	15940	56317	62955	30677	14714	19947	11262	97268	6249	53797	13527	12658	11299	14599	13430	14508	43831	11644	15466	10670	9277	41630	58930	12315	0	0	0	28248	26472	0	11668	10506	20025	24919	12772	0	8781	10286	9405	17330	12145	10155	16219	33163	11921	7660	7276	13836	14933	10687	87086	105933	105423	13205	10031	7872	5171	11128	0	10658	18358	23677	10826	15763	11380	36163	14019	7695	21670	12339	14393	24899	19596	22547	23788	24789	28618	0	23569	19163	11219	9747	11349	17920	6803	17652	16512	18514	11072	0	13461	13565	Phytochemical	0.26923078	1.1153846	0.038461536
16	C26 H29 O7 N1	468.2017	468.20227	-0.10693553	468.20163	6214	8235	6648	5413	2671	3053	3337	3313	2312	22173	15203	4351	2161	2992	3437	7065	8469	3788	4552	23767	19269	8533	4333	7231	5019	36119	2651	15718	4643	3449	5384	0	5908	2801	22197	2330	2089	3583	7589	15063	22807	2138	0	0	0	9711	10086	0	4683	3857	10854	8572	5213	0	1939	0	3755	5414	2731	4995	0	5333	6582	2157	1392	3217	3133	9211	29680	44922	55630	4141	4321	2567	2157	2677	0	1359	7858	10101	5029	5288	3384	15425	3443	3242	8387	3476	3755	0	7161	6564	0	6058	9696	0	9446	7365	4001	4768	2835	6739	2626	4623	4868	0	3770	0	5739	4099	Phytochemical	0.26923078	1.1153846	0.038461536
2	C20 H29 O8 N5	468.2089	468.20972	-0.10000871	468.20883	2038	3107	3158	2472	1967	0	2847	3542	2513	1245	0	3029	2925	1678	3146	782	3922	2004	2972	867	1067	2999	2897	4241	1957	0	0	6412	3584	2680	0	3680	5370	2730	1680	4149	4032	2937	5510	565	822	4682	0	0	0	688	598	0	4477	2364	2967	2552	1955	0	3223	1311	1283	3327	0	783	1736	546	1711	2228	0	3358	1902	5825	0	302	0	3148	2826	3364	287	2875	0	3137	2713	21967	2600	0	1118	273	1182	1674	3522	2337	2028	7060	11092	8384	7488	1990	0	0	2914	2109	1364	1842	979	3384	3074	1202	486	4239	1521	0	2301	6659	Peptide	0.4	1.45	0.25
6	C23 H33 O9 N1	468.2228	468.22357	-0.10990095	468.22275	10744	10835	11862	12379	4488	6824	8628	15414	6655	16234	6839	6684	10313	4442	9860	14239	6869	7388	9996	21824	20147	15904	10929	16235	8894	5504	6596	6851	13521	12569	13414	13248	18672	14991	21726	14870	17637	8246	10682	10735	9763	5155	0	0	0	14059	7731	0	20968	13867	13865	10620	5396	0	9396	5899	3054	12873	6491	4554	14561	8204	7570	5402	2159	7133	6026	12305	5800	11527	10074	11338	15091	15253	6741	12493	0	9851	9317	5106	4572	4784	7615	7434	5203	5112	6975	4518	7140	12493	14549	12057	21401	7686	13868	0	11767	13723	2685	4118	4682	16352	6708	17735	7978	14868	3331	0	7455	9685	Lipid	0.39130434	1.4347826	0.04347826
18	C27 H33 O6 N1	468.23807	468.23853	-0.24379928	468.23795	6029	4824	3639	2855	2492	0	2086	5756	2092	4678	10509	2191	1837	1430	1790	6401	7754	0	2388	7180	11549	0	2603	2398	3796	23166	3653	9835	0	3281	2178	3630	4486	5069	4399	2507	4268	3061	8029	11817	12921	2498	0	0	0	1167	5167	0	3242	4387	4430	4681	2170	0	0	0	0	2974	1355	6521	5091	2847	0	0	0	1813	3808	6083	18599	20307	20254	3382	1846	3824	5325	0	0	1389	5821	2280	3091	1473	1550	5832	0	1608	5193	2240	2058	9537	6222	5423	13190	4762	3692	0	3066	5402	1203	1777	0	5876	2349	6416	2381	2491	0	0	3851	0	Phytochemical	0.22222222	1.2222222	0.037037037
24	C27 H33 O6 N1	468.23807	468.23856	-0.14617781	468.238	15993	15730	17782	11330	10535	6780	6573	14364	7873	17987	33273	7800	7590	10063	5857	17703	14475	6934	15404	33755	33247	14362	9375	17075	16072	75989	5161	34238	11954	17867	9168	12290	15305	11390	18250	12949	16312	7181	11128	30742	32921	11272	0	0	0	17516	13979	0	11671	12930	12897	13566	13706	0	7011	4748	6847	16789	9906	9806	18469	17072	5272	3860	6584	11327	13559	14283	64853	54047	74538	13220	10962	11096	6692	11971	0	6885	13345	18983	9602	11107	11008	23440	7151	5641	18814	14081	10849	24346	16667	15887	31252	14195	14423	0	14984	14622	7004	7257	9542	19922	6967	18697	10157	21208	9092	0	13031	5326	Phytochemical	0.22222222	1.2222222	0.037037037
26	C27 H33 O6 N1	468.23807	468.23843	-0.120647326	468.238	5811	4747	3315	6400	3881	0	2004	0	3470	6292	13518	3055	0	2563	0	9047	5842	0	5062	14307	13074	5541	0	5230	0	30792	2215	14335	5365	0	4651	6031	6711	3945	5680	5373	5668	2589	4550	11041	17610	5845	0	0	0	0	0	0	6816	0	6469	5077	4900	0	0	0	0	5300	2905	0	7464	9055	0	2737	0	4109	4500	6283	34069	17262	26988	4618	0	0	0	4737	0	0	5160	6755	5844	4331	4692	10907	0	0	9382	5305	4251	6526	2302	5742	9823	6090	0	0	5059	5852	3303	3376	7716	7775	0	5601	0	8323	0	0	5250	0	Phytochemical	0.22222222	1.2222222	0.037037037
14	C24 H37 O8 N1	468.2592	468.2598	-0.10780075	468.25916	15283	10791	14132	13600	7058	8461	12113	33810	6127	7780	5115	12192	8305	6848	19558	31618	23515	6387	13237	12870	19571	16750	13960	21668	19577	9844	12544	0	25567	22929	18281	28051	20367	17854	6727	27972	25230	16152	22937	12125	9915	11794	0	0	0	10516	8635	0	23279	22814	12153	11319	7211	0	8084	8144	3831	15342	0	10288	0	3098	5262	7044	3828	11069	8118	24731	0	10551	8200	14999	17676	28813	23188	21422	0	17953	16404	0	14523	5663	9972	7036	9251	7192	13630	4841	7335	19011	28920	14865	30710	4005	13667	0	11707	18786	7287	5620	8995	24856	16037	20943	0	17361	4141	0	9502	5773	Lipid	0.33333334	1.5416666	0.041666668
10	C24 H37 O8 N1	468.2592	468.25983	-0.06185962	468.25916	12448	8475	8826	8405	2388	0	7497	19086	1996	10559	4505	6760	2393	2313	9263	11233	7930	2505	3509	15778	7692	9799	5998	12788	8170	3562	4476	4915	15360	12608	10314	15588	17577	9628	11541	15826	10936	5677	9110	6406	3515	4779	0	0	0	8141	4505	0	16832	11260	10929	7198	3493	0	2488	1321	1857	15914	0	1443	10019	5066	2159	2173	1663	2751	2548	13574	0	6988	0	11764	11222	15983	8918	12290	0	10035	7043	0	2872	1781	2550	5199	2315	1511	7664	2162	4629	15009	20484	8866	19388	2081	7713	0	7252	12297	0	1495	897	14856	6875	13934	0	9354	1482	0	7105	2174	Lipid	0.33333334	1.5416666	0.041666668
14	C28 H37 O5 N1	468.27444	468.27493	-0.053168412	468.2744	0	0	0	1714	0	0	0	0	0	0	3696	0	0	0	0	0	0	0	0	3229	0	0	0	0	1485	3057	0	0	0	0	1314	0	10395	0	0	1797	15312	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3077	2186	0	0	0	0	1163	0	0	0	0	0	0	0	1655	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28745	0	0	0	0	0	0	0	0	Lipid	0.17857143	1.3214285	0.035714287
26	C28 H37 O5 N1	468.27444	468.27472	-0.1526149	468.27438	4021	2970	4161	3304	3403	0	4478	0	3077	1876	9045	0	0	0	0	0	6492	0	0	5655	0	0	0	10215	0	25657	1748	8387	0	5786	4214	4032	6620	5523	2170	5539	5084	4147	6286	6465	7496	6429	0	0	0	0	0	0	5430	0	4864	3561	5580	0	0	0	3478	6447	0	3466	5134	0	0	0	0	2543	5579	6141	19898	8841	8639	3891	3988	0	0	4014	0	3040	3105	0	0	3334	3183	8120	0	0	9368	0	2745	7291	2017	4804	8400	3672	0	0	0	0	0	3584	0	7365	0	5734	0	6109	0	0	4783	0	Lipid	0.17857143	1.3214285	0.035714287
24	C28 H37 O5 N1	468.27444	468.2749	-0.12560773	468.27438	3055	4575	6775	3154	5377	932	2344	5756	1681	5010	5559	3968	0	1702	3658	7214	7493	1597	1689	4359	5240	3250	3692	6675	4206	20677	2757	7825	4165	8915	4419	7209	7110	4781	1991	6999	6991	2991	6686	4328	10186	2368	0	0	0	4054	4326	0	6459	7550	5069	2706	2345	0	2747	0	1917	8849	3018	5851	7846	4306	0	2529	1521	0	4180	9579	18314	9829	20580	3417	5714	4356	5093	4250	0	4035	4642	5917	2791	2354	3625	8803	1650	0	6588	6294	3213	12866	3224	5786	8115	3929	2075	0	6496	3283	2181	3018	2788	7465	4061	7346	2046	6320	2326	0	4537	0	Lipid	0.17857143	1.3214285	0.035714287
6	C22 H37 O6 N5	468.28165	468.28232	-0.35384282	468.2815	1324	1330	0	870	4382	888	0	0	1032	0	0	0	1870	16297	0	0	0	0	0	0	0	0	0	0	0	0	0	4806	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1004	0	3728	0	2322	1902	7571	0	0	0	0	0	0	0	2019	0	1493	0	0	0	0	0	0	0	0	0	0	0	0	68650	0	0	0	0	659	0	0	0	0	0	80276	23139	0	5717	1134	0	973	1006	0	0	0	0	0	0	0	0	4198	0	0	0	Peptide	0.27272728	1.6818181	0.22727273
4	C22 H37 O6 N5	468.28165	468.2824	-0.12550953	468.28162	0	0	0	0	0	722	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	267	0	0	0	0	0	0	0	0	0	0	0	495	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	322	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28259	0	0	0	0	0	0	0	0	0	0	20005	7489	0	879	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.6818181	0.22727273
8	C22 H37 O6 N5	468.28165	468.28214	0.2324375	468.28177	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3042	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24085	0	0	0	0	0	0	0	0	0	0	75059	14981	0	0	0	0	869	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.6818181	0.22727273
18	C30 H38 O2 N1 Na1	468.2873	468.288	0.16589776	468.28738	5397	4931	3586	4254	0	0	0	18033	0	0	0	0	0	0	0	114270	7883	0	0	0	0	0	0	0	0	0	0	0	27047	108115	0	41250	2109	0	0	109168	4177	0	0	0	0	0	281	0	0	0	0	0	6561	80733	4258	3254	0	0	0	0	0	42536	11525	2409	73668	0	0	0	0	0	0	50406	0	0	0	0	3782	89124	19233	73191	0	0	0	0	0	0	0	0	0	0	0	0	0	1698	0	0	0	0	0	0	3994	3378	0	0	0	4258	0	8135	12946	0	0	0	0	0	Phytochemical	0.06666667	1.2666667	0.03333333
20	C25 H41 O7 N1	468.2956	468.2961	-0.15343946	468.2955	11274	11711	11302	6432	8086	8116	18698	11082	6778	3064	3355	10353	5665	4880	11689	24898	26908	8054	9233	3359	5208	1844	10989	8313	11221	4496	13833	2977	19353	21695	12819	23149	17767	14892	2092	26523	15105	11555	25744	2542	5607	10919	0	0	0	5775	4822	0	22776	14028	12522	6786	5585	0	8979	10390	6786	15857	5281	10056	11841	1323	4330	6831	6955	9557	7806	39706	6536	3629	7793	9958	16497	20700	31320	19429	0	10189	10079	5993	9258	3718	9944	0	15455	8586	14489	6806	9740	22635	11228	10579	17538	3470	1839	0	7666	8734	7282	12927	10597	17329	10315	9424	2407	13632	8907	0	8863	7085	Lipid	0.28	1.64	0.04
22	C22 H45 O9 N1	468.3167	468.31723	-0.38256654	468.31653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5110	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2241	0	0	0	0	0	0	0	9431	28587	4125	0	1701	3717	2520	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2355	0	0	0	0	1939	0	0	0	0	0	0	0	0	0	0	0	0	0	4400	0	0	0	0	0	Lipid	0.4090909	2.0454545	0.045454547
26	C26 H45 O6 N1	468.33197	468.33218	-0.18020386	468.33188	0	2368	4667	3676	3164	0	33153	0	2340	0	2637	0	0	6524	0	5244	0	0	5221	0	0	0	0	0	5559	0	28889	5680	7381	0	2666	7699	6750	6626	0	6697	3927	3425	6758	0	0	0	0	0	0	0	0	0	7534	5892	4483	4701	3407	0	5745	0	0	3883	2968	0	6206	0	2863	2585	4108	5309	10518	4991	0	0	0	2799	4475	0	0	4024	0	0	0	0	0	2642	6488	4212	5747	0	6722	2653	3448	1956	7074	7789	4570	2418	0	0	3790	0	2461	4516	0	5923	0	0	0	3375	0	0	3492	2893	Lipid	0.23076923	1.7307693	0.038461536
26	C23 H49 O8 N1	468.3531	468.35364	-0.36975598	468.35294	0	0	0	0	26114	4293	0	0	0	0	0	0	10713	27099	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6459	0	0	0	0	0	0	0	0	0	0	4322	0	0	0	0	0	26713	0	0	6154	0	0	8826	4100	11296	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7829	0	24590	5984	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	129219	0	0	0	0	0	Lipid	0.3478261	2.1304348	0.04347826
14	C19 H16 O14	469.06128	469.06204	0.17085671	469.06137	3522	2100	0	3327	11431	2561	0	0	19760	0	0	2019	23402	1729	0	0	0	12948	5164	0	2168	6118	1849	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1952	0	0	0	0	0	0	0	0	4002	2702	6003	0	8450	12638	5553	0	0	0	0	0	28124	18459	2703	12278	3344	0	0	0	0	0	0	0	0	0	0	0	2822	0	1269	1275	0	0	19539	2581	1942	4963	2807	0	7845	2639	0	7853	0	0	1987	0	18577	30083	20943	0	0	0	0	0	8463	0	0	22662	Phytochemical	0.7368421	0.84210527	0.0
12	C19 H16 O14	469.06128	469.06213	0.12480278	469.06134	0	1715	0	2014	6971	2240	0	0	7218	0	0	0	11217	1958	0	0	0	6935	6665	0	0	0	1448	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1745	0	1537	0	0	0	0	3400	0	0	0	2674	0	4004	0	3142	12915	0	0	0	0	0	0	23654	10231	3291	8884	1838	0	0	0	0	0	0	0	0	0	0	909	1222	0	0	1345	0	0	11110	0	0	2172	2165	0	0	0	0	4785	1145	0	0	0	14197	14547	11713	1701	0	0	0	0	4785	0	0	19641	Phytochemical	0.7368421	0.84210527	0.0
20	C23 H16 O11	469.07654	469.07706	-0.028121525	469.07654	24518	15685	19291	17431	32732	13368	2949	0	31247	50596	13708	2256	41543	9475	4379	4731	1806	39688	39150	29255	34579	52617	12251	5331	5192	7437	4710	6248	2086	0	1791	1668	7833	1732	51581	0	5435	7029	3392	17170	18024	8055	1112	0	0	22624	30099	1000	2410	0	23170	13997	20004	252	32102	28287	14914	6090	4827	4290	5502	12301	62773	37266	16411	37763	13440	4010	11659	17128	22173	2318	1505	0	1436	2453	0	3077	21033	31457	18880	21686	3483	10504	48732	20853	19646	8933	9778	9843	7841	7811	7528	60954	52433	666	21002	13978	31550	38761	30826	1978	3782	5997	20316	5535	33901	0	7007	46521	Phytochemical	0.47826087	0.6956522	0.0
22	C23 H16 O11	469.07654	469.0771	-0.03992251	469.0765	12195	19728	14603	11559	20658	15299	3894	2766	32336	27576	12272	2846	34076	10841	7321	4548	3514	35199	32079	16080	29747	39149	6809	3905	6418	8419	2567	2638	1292	0	1339	0	3201	1708	42502	0	4271	5805	4721	7756	10757	5680	0	0	0	15702	19581	0	2751	1598	10025	12686	14775	269	32934	30353	11774	6340	2824	3935	2368	10116	49436	25484	16231	22940	13397	2580	10956	13288	12774	1481	0	0	1439	0	356	2716	22431	20591	15004	14067	2724	9463	39739	22761	15896	7200	9025	7794	5021	4025	4447	44518	44798	0	16301	13282	20349	34496	27572	3557	1660	3504	11723	2698	22790	0	5514	42304	Phytochemical	0.47826087	0.6956522	0.0
24	C23 H16 O11	469.07654	469.07703	-0.028575243	469.07654	9658	8407	10282	10156	16806	10029	2437	2187	20859	16479	5807	1523	32115	7527	2749	3228	0	25888	27551	9958	12260	23966	7004	0	3234	2578	0	1813	0	0	1202	0	2441	0	25843	2017	3231	3912	1961	6775	7896	3772	0	0	0	8455	12639	0	1464	0	9486	10853	12729	0	24476	17249	7794	2772	2028	2560	0	6060	38120	24463	5716	21309	5354	0	4636	9080	8404	0	0	0	0	0	0	3270	12932	13986	17123	8837	2640	5463	21079	12090	11665	6103	7855	3595	2141	2711	4252	27982	37341	0	8027	9528	15472	23921	19865	1674	4000	2873	9178	2117	14374	0	3191	30720	Phytochemical	0.47826087	0.6956522	0.0
26	C23 H16 O11	469.07654	469.077	-0.068554826	469.0765	5604	7458	6007	7926	14920	5421	1524	0	18618	13253	3931	0	29778	8779	0	0	0	21941	18757	8802	8626	20697	8359	0	0	0	0	0	0	0	0	0	2144	0	23965	0	3254	4124	0	3168	3801	0	0	0	0	0	0	0	0	0	9680	8429	8135	0	22631	14236	4837	2627	0	0	0	3549	32896	17789	4302	18690	3780	0	0	9030	12575	0	0	0	0	0	0	0	11691	10140	9661	5500	2635	2788	25387	9192	7773	3675	4780	3558	0	2736	0	20814	37045	0	8746	0	11578	14904	15337	0	0	0	0	1489	9865	0	3878	23643	Phytochemical	0.47826087	0.6956522	0.0
28	C23 H16 O11	469.07654	469.07703	-0.07374793	469.0765	6023	5737	5901	5628	11124	4286	1965	0	13211	11636	3532	2108	23076	4929	0	2687	0	18643	14894	4635	8287	14804	3107	2259	0	0	1880	0	0	0	0	0	1505	0	16925	0	2131	4345	1686	1900	4577	2934	0	0	0	2351	6486	1234	0	0	6512	5069	8143	0	18147	11683	3117	1281	0	1686	2031	2746	24341	14980	3470	13523	3966	1130	4490	6377	10411	0	0	0	0	0	0	1550	11704	9659	8152	3334	1334	1787	19141	8176	8827	4419	4619	1892	1485	3472	1855	15516	20311	0	5351	5425	9343	12016	15344	0	1228	0	2732	2721	8381	0	3034	19030	Phytochemical	0.47826087	0.6956522	0.0
16	C23 H16 O11	469.07654	469.0772	0.039997716	469.07657	5887	9513	11051	10075	19426	6570	2307	0	29554	35101	20892	1659	24427	7415	2076	2452	2130	15138	19731	19000	21398	35741	4761	4906	1546	8794	1818	8130	0	0	1926	0	4927	0	63356	0	1984	2614	2748	8527	14103	1375	386	0	0	12204	22607	0	0	1706	13589	7537	8906	0	17488	19495	6927	2621	4174	3352	0	9357	39473	16517	6345	19940	5502	0	16942	11206	12582	0	0	0	1799	0	0	2759	10160	22125	6907	17510	2049	4845	19575	10437	6549	7341	5084	0	0	3013	0	38285	31805	0	9771	13433	13757	29823	22576	2735	1364	0	13730	0	17128	0	4425	23190	Phytochemical	0.47826087	0.6956522	0.0
22	C20 H20 O13	469.09766	469.09848	0.34198526	469.09784	3772	4565	8342	2353	8388	7270	0	2224	10040	6374	3955	2512	16082	0	2450	0	1971	15808	7591	8139	6470	9307	2474	1932	1476	0	1315	0	0	0	0	0	1902	0	6285	0	2568	2708	0	5548	6958	1592	0	0	389	16076	26625	0	0	0	5547	5313	3323	0	12936	6742	1997	1566	0	1983	0	6586	19387	8194	0	10710	4741	1649	0	0	0	0	0	2005	0	0	0	2281	3284	8730	2348	23996	0	2175	6823	5530	2212	2639	2737	1329	2275	4996	0	13385	6792	0	6319	3908	9218	5965	4129	0	2348	2006	22996	0	4683	0	0	21350	Phytochemical	0.65	1.0	0.0
14	C20 H20 O13	469.09766	469.09836	0.036992107	469.0977	59197	56940	54356	57756	94298	61398	15297	18480	132049	47573	56258	25109	168574	31307	33982	19699	19151	109465	110790	43366	64568	136209	47441	18421	7655	3641	10741	12161	13559	14098	18298	12091	29840	13787	84055	14122	30577	29950	20546	30630	55857	35430	0	0	0	75567	154524	0	23022	16393	50119	65415	58773	0	123568	83915	43166	17579	36720	24194	22642	51965	196286	115365	38864	119376	47858	18117	0	9259	23975	19384	14520	8632	12437	13345	0	25836	38404	57619	43253	88763	8816	5259	102580	45049	37127	42982	53688	25432	8759	22094	31095	122342	57256	0	60193	52360	93806	91609	82270	29827	27003	26150	140977	28940	76522	0	13236	188003	Phytochemical	0.65	1.0	0.0
8	C20 H20 O13	469.09766	469.09845	0.032894555	469.0977	10514	13563	7873	7787	19889	5951	2226	2479	23701	10243	11546	5238	33181	4235	3681	4331	4927	15647	20139	7590	14485	10590	6738	3592	0	0	2889	1706	932	2654	1850	2157	4480	2665	15728	1278	2872	3341	5195	2834	8059	6958	0	0	0	7884	21577	0	2112	1739	11630	10408	9655	0	14853	22299	8611	4522	1864	4507	0	4982	42595	19388	10269	23350	8178	5461	0	0	3784	1785	2382	1030	0	1624	0	2856	10522	5503	7765	6090	948	0	31576	6552	6388	9568	8077	6433	0	0	1568	21094	10571	0	8723	11717	27334	41583	31670	2761	3201	3430	0	3791	21556	0	3025	34191	Phytochemical	0.65	1.0	0.0
20	C20 H20 O13	469.09766	469.09836	0.12088018	469.09772	10996	8568	11076	9510	23488	13651	3260	1807	32534	10153	7497	6844	38212	10205	7225	1873	2391	23005	15783	0	11665	26399	6343	3614	2398	2298	1648	3637	0	2378	2898	3439	6857	2391	16062	3675	5131	5112	1606	11771	16477	3625	507	0	323	29504	66759	0	2426	2396	12466	13114	16451	0	26034	21818	13132	3436	6674	3888	3259	13316	37309	20011	4924	24444	7909	2569	5398	7088	8069	1416	2155	2265	2306	2705	340	4887	8242	17917	7407	36224	1793	0	20440	10700	3984	0	5586	0	0	7728	8975	21434	15470	0	9236	6386	20843	19654	16827	2427	4011	4144	45294	4823	18042	0	3280	47882	Phytochemical	0.65	1.0	0.0
12	C20 H20 O13	469.09766	469.0984	0.051300947	469.0977	48009	51487	46937	45621	74524	41413	12559	19052	101156	53255	47202	21898	126434	16762	20819	24894	23157	92446	94913	40617	57939	104820	35908	18473	3532	4675	11619	9429	10090	10720	12847	11585	27348	12692	69908	10518	32420	20048	19049	23200	65369	30936	693	0	0	45950	148916	0	14564	14780	56260	50132	53380	0	91684	80801	37174	19259	26760	20800	0	30867	168610	97442	34719	86525	43510	23099	23434	6071	26351	15734	12302	7690	15729	11124	0	20492	38440	48382	38749	55470	6794	4920	87492	35475	30171	29657	38626	23821	8391	21670	25617	101919	59582	0	50053	54050	97981	202130	107508	25273	17832	16922	80342	25997	78097	0	11394	143905	Phytochemical	0.65	1.0	0.0
10	C20 H20 O13	469.09766	469.0984	0.044256855	469.0977	37711	35252	34029	37455	50675	22600	9030	16330	72263	35926	41937	25314	104504	16597	17394	17848	20586	67752	59105	28113	48042	67954	26976	14316	2261	1619	12155	5307	7376	8158	13858	11228	18267	11404	55353	8523	19479	20031	21934	24908	55484	27161	633	0	0	35182	104857	0	10568	10873	38290	38189	38193	0	68720	59258	26440	18209	8661	22850	0	27013	121670	72160	29762	66286	31009	29627	7613	7187	19393	12865	11164	7845	23602	10401	0	13617	36184	33290	28015	36422	6412	5959	70211	24880	21690	30260	25535	26789	4039	12538	20969	79107	45933	0	45454	36683	64536	90035	72135	24344	19817	11971	49115	17931	47768	0	6783	110120	Phytochemical	0.65	1.0	0.0
16	C19 H20 O12 N2	469.1089	469.10965	0.28349745	469.10904	3986	4046	5504	3813	6189	2850	1980	2386	7519	6231	3541	5614	19408	2282	1975	2689	4229	6821	9407	0	7436	10487	5455	2468	0	0	1019	0	1781	3671	1323	0	3452	0	4592	2651	2598	2910	2204	4011	6676	3174	0	0	0	9933	22602	0	3207	3661	4594	6411	4581	0	8444	6080	3037	2152	0	0	0	4485	13442	8263	3387	5673	6078	2924	0	2214	0	2976	1455	1688	2615	1283	0	3915	3395	5015	1835	10867	1956	1796	9970	4735	1825	4483	3567	0	0	3412	0	8498	5694	0	4607	5570	5395	6000	5113	3271	4805	1824	12170	0	3630	0	1510	9811	Phytochemical	0.6315789	1.0526316	0.10526316
10	C19 H20 O12 N2	469.1089	469.10965	0.09697011	469.10895	11858	12925	9222	12127	11889	5279	2213	6230	17793	5828	8332	10912	23310	2176	5514	5905	6925	17114	16531	5104	15328	21748	6892	6090	0	0	1696	0	3052	2892	4965	5535	7386	2980	11330	2637	8882	4312	7114	7773	27066	9415	0	0	0	14681	43659	0	3010	4911	12599	9585	11105	0	19625	11897	5887	4647	4844	7679	0	12080	36761	21174	7226	16240	9233	13336	0	1564	4391	3950	5874	4712	6064	3828	0	4509	6023	9263	5354	14501	2241	1435	14581	5480	2656	10250	7870	8790	0	4523	7393	18925	8514	0	12766	10380	11921	13770	12018	10566	8617	4558	18019	9226	8323	0	2033	28888	Phytochemical	0.6315789	1.0526316	0.10526316
8	C19 H20 O12 N2	469.1089	469.10974	0.13041109	469.10895	3613	5411	4288	5344	6050	2870	1574	2061	10121	3311	4478	5657	14290	1256	2674	2364	5103	10203	8647	4804	10061	10007	5553	2368	0	0	1399	1871	1628	2021	1540	2190	3832	3348	8221	2162	2865	1888	3292	4205	14465	5217	0	0	0	6918	17787	0	4635	3106	4971	7583	4362	0	11742	9300	5687	2075	1852	4790	3843	5593	22298	12459	5259	11263	5344	6208	0	0	0	2856	1684	1187	3449	1431	0	2122	3726	0	2322	6340	898	0	11898	0	3562	8659	6821	7048	0	0	6375	10524	4260	0	4365	7600	6259	13753	10631	5262	2209	4293	8234	4406	7078	0	0	19727	Phytochemical	0.6315789	1.0526316	0.10526316
12	C19 H20 O12 N2	469.1089	469.10977	0.24226499	469.109	10594	6415	12749	10279	12696	6088	0	4972	16960	6267	12529	9689	22381	3146	5804	5379	15458	17304	18543	6903	18220	32581	10022	5931	1111	906	2424	0	2537	3639	4715	4507	10409	2548	10624	4645	4578	5896	9340	11264	31741	8196	0	0	0	21590	47411	0	5740	6775	7163	9518	8716	0	21347	12679	8180	0	7444	0	0	14996	40622	23409	7295	14856	12016	6446	0	0	3073	5430	5977	3841	5423	3363	0	5728	4803	0	8209	19775	1835	5825	16080	5975	5565	10070	10729	13883	0	9834	16961	17999	9801	0	10521	6189	11116	14591	12601	10078	9607	3800	33060	9853	8284	0	3986	32481	Phytochemical	0.6315789	1.0526316	0.10526316
14	C19 H20 O12 N2	469.1089	469.10965	0.20684351	469.109	14972	15340	16138	8928	16410	9930	5064	6066	23118	13421	0	17790	46454	4928	7984	6360	15220	30928	20588	10340	30946	42002	19488	6288	2416	2568	4222	0	8082	6070	12490	0	7890	7074	27842	6250	7754	10060	8648	8494	32404	13892	0	0	0	26784	78032	0	8154	8078	22898	15142	13304	0	27264	24128	11318	12064	0	16318	0	24940	41278	31492	9764	30478	13054	11416	0	3546	8636	8448	8586	4422	11284	6074	0	8624	10258	0	8092	29790	3230	4448	27694	7716	8956	9632	18218	23198	6878	10170	17174	17240	17656	0	11844	16860	19366	18646	21656	19510	13398	7144	38508	16498	14436	0	5590	44448	Phytochemical	0.6315789	1.0526316	0.10526316
18	C24 H20 O10	469.1129	469.11353	-0.005786291	469.1129	49741	53865	47153	39621	56476	25568	11650	10918	51798	170203	103805	9531	72605	28719	13855	13429	6735	56372	64951	111317	90241	74659	19993	11809	12630	97272	11296	60004	6704	5177	5406	7293	16628	5671	236931	4830	15559	12200	4996	60003	62003	14216	1303	0	0	77286	79949	0	8888	5617	42812	50609	34083	0	49760	41833	25042	14745	18128	10754	12600	48994	81429	44929	20342	59820	27383	7844	90189	116778	152726	9507	3333	2608	4276	10963	0	8620	38029	67039	23305	72438	11606	49925	66316	37003	30022	17654	26067	12596	28686	28097	16626	90745	116908	0	51153	36247	64212	50452	54808	12202	10168	16736	51548	10734	42309	0	12244	71381	Phytochemical	0.41666666	0.8333333	0.0
16	C24 H20 O10	469.1129	469.1136	0.030671556	469.11295	29798	26643	24825	25969	35357	14473	5880	5507	34188	119168	73192	4546	38508	18877	11285	7531	5972	34320	37973	67345	66891	63073	13237	12265	6704	79107	8518	40806	3941	3591	8262	3720	9679	4631	174162	6634	10955	10177	4868	38587	39429	10671	565	0	0	38827	56406	0	7288	3968	34302	32127	22395	0	34475	29727	14262	15624	11369	6715	11039	31450	48692	28334	13586	35037	16060	8554	68401	86858	110046	7392	3133	2743	3504	5648	0	6725	19681	48517	21530	42936	10171	34254	33863	21812	20597	10879	16087	0	20527	14902	0	58093	93900	0	35242	19197	29023	34398	34010	9265	6572	11257	29909	0	30484	0	7938	45188	Phytochemical	0.41666666	0.8333333	0.0
20	C24 H20 O10	469.1129	469.11353	-0.031820618	469.1129	56577	45562	41061	38139	49825	30707	13338	7953	70384	173782	89787	5950	74653	29395	19237	16977	7740	58975	61661	100920	100274	80056	21074	14587	12557	109921	9915	67878	4837	2415	5772	9036	10669	5355	211521	3217	12862	11513	9169	57878	52093	15137	1424	0	346	65858	82825	0	5070	7261	40516	53765	38565	376	54566	46062	26852	18024	17021	9473	11589	52579	81079	53997	27366	62338	24133	4886	88498	125883	139545	8375	4740	2328	3788	4600	0	6739	36822	75416	25145	55389	12475	66808	72596	44208	28872	17252	23837	13926	27676	31906	16841	100720	111990	0	47301	41533	56516	62354	53679	16645	8230	14845	60546	7747	48712	0	13224	85294	Phytochemical	0.41666666	0.8333333	0.0
28	C24 H20 O10	469.1129	469.11343	-0.024831869	469.1129	5691	5565	6766	6873	10377	4385	1140	0	11695	18178	6948	1248	21468	7803	2925	2469	0	10541	8710	7986	11227	13150	3196	3068	2267	12186	1701	5417	0	0	0	0	2056	1040	26339	0	2121	1764	0	4505	6447	0	0	0	0	6540	8425	0	880	0	6214	5700	5835	0	12913	10141	3458	1963	1456	1510	0	4471	16552	9049	2866	10144	3574	0	12427	19076	26503	0	0	0	0	0	0	986	5953	11496	5655	4556	2040	3928	13380	6256	4743	3407	3531	2362	2144	3478	3119	13890	19528	0	7549	6913	7298	11442	11474	2092	0	0	3984	1703	7092	0	1948	16201	Phytochemical	0.41666666	0.8333333	0.0
26	C24 H20 O10	469.1129	469.11337	-0.07527565	469.11288	9584	7669	10297	7285	15748	7955	0	0	17264	33617	11177	0	24727	7875	0	0	0	17649	18760	14415	17774	23505	0	0	0	18421	0	7062	0	0	0	0	2363	0	41965	0	1814	5134	0	11517	8518	0	0	0	0	12983	17442	0	2326	0	8258	12685	7622	0	16829	12427	5458	1842	2453	0	0	5334	25397	12812	3916	18042	3866	0	19061	29591	35226	0	0	0	0	0	0	0	10932	16190	7847	10264	3336	5776	23986	9046	8729	3471	4165	1598	2689	5521	0	30780	38612	0	4913	6972	11827	17694	18280	0	0	0	0	0	12854	0	2383	25058	Phytochemical	0.41666666	0.8333333	0.0
14	C24 H20 O10	469.1129	469.11362	0.022072934	469.11295	15222	17171	15733	13056	15542	5120	2692	5865	17972	61349	44314	5094	20889	10391	5472	8696	0	15006	13917	31874	34114	37297	11320	0	3270	37698	3685	15333	2059	3018	3062	0	2269	2487	76563	3999	3779	6524	2895	16080	33117	3843	0	0	0	15825	37810	0	5716	2183	15942	10080	8190	0	16449	12498	8072	6038	0	8635	0	16799	28663	16247	5466	17465	6143	2298	26377	49285	69401	2131	4377	1521	2928	4000	0	3094	16088	26403	9737	24648	5881	14749	22314	8059	13320	4440	5690	0	10591	9220	5448	32941	31996	0	17914	15876	17967	17587	12878	5123	3529	3669	27497	4075	11616	0	3329	14804	Phytochemical	0.41666666	0.8333333	0.0
12	C24 H20 O10	469.1129	469.11365	-0.025229016	469.1129	3112	4914	7031	5052	6286	2732	0	1572	5487	19012	15222	2586	4630	4005	1711	2500	0	3890	5769	8338	19011	18713	1813	0	0	15368	2418	0	0	1308	1472	1762	1926	0	27393	1401	0	0	0	6806	9923	1135	0	0	0	5951	17068	0	2752	0	4384	5948	4286	0	5763	4502	2190	2199	0	0	0	7302	8604	4933	1344	7896	1184	0	0	20278	23706	1808	1497	1288	1228	1406	0	2951	3289	0	2379	8496	1548	4512	6240	2815	3502	0	3272	5063	2511	3631	4610	8960	10313	0	3700	6698	9049	7356	8118	3140	1839	0	0	0	4401	0	0	7096	Phytochemical	0.41666666	0.8333333	0.0
10	C18 H20 O11 N4	469.12015	469.12125	0.43119425	469.12033	4117	4422	3765	1836	3106	2733	1230	3512	12608	15756	16014	1801	22075	1433	2526	2195	2889	7134	16416	17158	26834	19580	4510	1740	0	0	0	0	1500	2179	0	0	2585	2371	11297	0	3698	1268	4301	6678	31326	4586	0	0	0	7739	14122	0	1989	1982	5049	4919	2570	0	7706	11442	2416	2868	0	3286	0	10466	27930	14268	2375	5058	1747	0	0	2371	6761	1650	1892	0	3487	2744	0	3899	1780	6956	4105	14070	1958	1809	7996	1751	2375	2820	3344	7084	0	1973	2930	23106	24820	0	3669	6522	5828	6303	7256	1916	2457	0	0	4185	11970	0	848	24186	Unclassified	0.6111111	1.1111112	0.22222222
24	C15 H24 O11 N4 S1	469.1235	469.12396	-0.30180594	469.12335	2804	2885	1471	952	2033	2555	0	0	1823	5581	2169	1627	0	837	0	0	3035	1569	1554	0	4902	3975	2810	1013	1543	0	0	1785	0	1106	2660	0	2223	901	6086	0	1557	736	1119	4821	3091	67636	0	0	0	3293	6447	0	1092	0	2180	1706	2477	0	1643	0	0	1117	0	0	0	1974	2863	2246	0	0	1766	1494	1145	0	2493	0	0	0	0	0	0	25054	2204	2333	1717	3220	0	1192	1466	0	1170	1560	0	0	0	1996	2250	5039	11220	0	1918	2323	0	2369	0	1803	3732	0	3067	2019	0	0	0	1391	Peptide	0.73333335	1.6	0.26666668
12	C21 H24 O12	469.13406	469.13474	0.020223206	469.13406	285314	308726	300504	155691	212820	81694	94501	247772	289648	588798	197427	163190	299902	42247	178486	109187	84291	282662	300674	488434	493576	279842	209884	119337	44936	54147	77172	92479	85118	89742	197236	100144	116482	84182	392978	168652	200572	185556	184064	321422	221584	142156	1904	324	0	524212	732824	0	107850	195030	290440	289924	89141	253	360168	94923	138982	124296	114540	108796	125281	296160	201222	274316	55250	252996	169646	117699	104310	100535	141303	212292	88052	193434	81133	186182	0	81384	108199	124956	216202	400498	72688	78312	113111	74282	91953	67057	163064	114163	64967	106704	224640	198892	424678	614	326052	160023	139765	189780	190604	118551	142044	120084	321564	184246	207558	0	63461	374140	Phytochemical	0.5714286	1.1428572	0.0
16	C21 H24 O12	469.13406	469.1347	0.022889959	469.13406	874491	932253	890189	879328	768632	701287	418216	656120	1123716	1591056	650940	422641	1343150	354079	725781	560113	316454	1427264	1212954	1443400	1342928	1428310	692097	640051	465024	375280	330946	487060	578714	519224	700111	629340	774956	537569	2109506	559309	794320	577334	327813	1159067	701239	432700	16124	2888	2496	3512810	3196805	1944	691064	516118	854337	881520	680232	2620	1371060	617448	429192	621814	826126	336128	680276	847413	1358422	1016170	346231	986444	594267	323153	529220	811865	633112	739691	633706	623556	365618	608272	1572	534811	579838	745220	523982	2829505	427211	568094	665168	476774	485898	389331	499763	319912	510689	809753	700268	880914	1065144	3748	860536	858120	737503	500398	524043	669799	451644	624378	1313316	635536	625979	2612	385944	1511166	Phytochemical	0.5714286	1.1428572	0.0
8	C21 H24 O12	469.13406	469.13486	0.057740483	469.1341	25090	44146	16985	42088	14954	9161	9708	14187	22738	43094	61288	28038	46280	6663	13254	20096	15916	19425	22144	30365	36772	28202	16179	16899	4084	8458	10389	10165	13077	11145	12992	13452	13037	12366	45052	14973	10990	12316	21485	20921	29059	11419	0	0	0	22430	48299	0	15925	17861	22792	40204	11608	0	50252	32928	15060	13257	12436	33032	15025	18548	24896	21674	10835	22009	14412	22331	16527	8428	19765	13442	16628	12955	14684	16621	0	10756	20699	12081	17869	19788	8599	9855	45520	12230	14557	9557	12010	21395	0	11421	15989	20602	30519	0	21916	16005	25147	39464	19689	13720	13307	16209	16599	13851	18116	0	10810	26595	Phytochemical	0.5714286	1.1428572	0.0
14	C21 H24 O12	469.13406	469.1347	0.006749309	469.13406	481948	492579	467376	478316	391881	321947	224779	351484	1015739	983624	482980	239514	1238393	186994	357477	302296	210548	572675	533809	777445	1524076	874173	356058	312986	190516	176775	196161	307058	282581	290479	313129	408642	413077	287898	2445655	304183	356191	303081	217522	1167195	509340	251262	10254	992	0	1816611	979120	0	333635	315508	466706	419780	324077	788	1259478	305443	217844	377787	479598	245642	385080	1011671	1356913	996838	188950	440488	289310	227016	271646	405489	388814	318724	305855	287532	189463	281628	488	299580	335654	450754	302029	1397897	231412	268277	334404	261742	259009	241612	285569	211544	234872	407769	416855	621192	1190132	2178	473996	476124	389800	307594	255250	339937	270491	415375	860462	302336	334776	0	212256	1208377	Phytochemical	0.5714286	1.1428572	0.0
18	C21 H24 O12	469.13406	469.13467	0.0069736	469.13406	149538	160055	155089	133856	137363	130640	62267	111060	180089	219789	101962	64521	252077	70190	107792	83804	40667	207421	198820	223031	227895	223063	103715	112310	66100	65570	52494	62435	109445	90504	104544	100563	119892	104224	265994	91623	137140	95600	47164	222492	118804	76828	3981	0	0	313441	255306	538	108836	82454	158597	137332	115134	361	242594	110742	66013	106012	125195	53695	94653	154255	218864	168348	60281	152937	105309	57808	111365	135068	111820	111912	104131	99124	51316	76692	527	85554	97423	104281	85662	257156	63963	101841	97062	91074	74057	64020	92945	44689	80484	129838	143291	130699	156271	774	160051	121787	129358	80154	72097	99776	80027	117956	211192	92170	110442	0	57680	236272	Phytochemical	0.5714286	1.1428572	0.0
10	C20 H24 O11 N2	469.1453	469.14597	-0.045913946	469.14526	80708	75786	62852	66443	37350	33035	40261	83072	54373	80359	54920	56349	64241	12398	56646	71646	60412	68495	67579	86920	104302	130075	64440	88320	29933	6896	43442	18717	59434	67101	70199	63639	87779	57556	98986	64687	87463	54477	65074	91264	99655	43568	549	0	0	93862	137593	0	76943	67273	72615	68955	35265	0	78351	34319	29640	65661	85610	68182	78720	67646	78215	72492	35157	52948	49647	77129	24871	22882	29513	75642	58525	64846	52690	63354	0	53437	56154	48348	48056	60542	41642	32547	42441	28640	48578	38237	47661	74340	38703	68330	106353	78124	80511	0	75722	69364	30218	30316	31002	84985	56900	85787	102227	76484	33379	0	37343	85086	Phytochemical	0.55	1.2	0.1
18	C20 H24 O11 N2	469.1453	469.14597	0.2369499	469.1454	31428	25755	34293	23958	34302	27156	19218	49131	36282	29514	13074	30339	42879	10464	40668	39558	22083	45861	44865	47148	23379	50139	47862	48069	24744	8841	17583	9186	45564	29463	48081	46659	60735	32202	27609	32319	58311	42609	29025	35823	38046	26043	0	0	0	65304	63297	0	36708	44598	42243	33480	24069	0	43908	16494	22425	42195	40038	19092	34674	31455	47682	43011	13029	27843	28128	19185	15591	1762	11949	46653	32685	33597	29835	51516	0	39045	28857	18174	29358	45783	27207	22773	30567	17850	32943	23013	40170	31329	27024	38526	94530	23781	32562	0	41580	44055	18351	17892	17958	44676	35418	46335	45285	51483	0	0	28734	31260	Phytochemical	0.55	1.2	0.1
16	C20 H24 O11 N2	469.1453	469.14597	-0.003200828	469.1453	29519	33921	29292	28817	18178	22283	25385	37990	26480	26786	14014	21482	49042	8481	34662	27822	24549	38368	32788	32193	31867	54911	34129	48580	23709	2381	18192	6837	37215	32025	39148	33917	45913	29597	37062	28695	41138	33811	25038	41218	21722	21168	0	0	0	46164	52320	0	37714	42171	35998	31734	20950	0	38566	19040	17335	36834	44235	18074	30505	35274	30732	31753	15030	24001	26191	19304	6931	12093	12196	41151	26567	39265	23551	29626	0	30432	24504	17701	22122	35201	18087	13900	18664	17494	22472	21599	21239	0	15882	45281	69910	25673	32247	0	34045	32569	11473	9869	14388	44439	27704	37858	32996	38319	16064	0	24085	51698	Phytochemical	0.55	1.2	0.1
14	C20 H24 O11 N2	469.1453	469.14594	-0.03720979	469.14526	71814	63423	63286	70167	35197	43970	44053	74938	49145	65774	36675	48551	73542	18499	64719	62151	49292	62866	73177	66119	61002	94556	66565	67265	41594	7057	35332	17256	63542	64602	58108	56909	83195	54148	95677	72031	72764	54528	50260	85783	65482	42115	0	0	0	90791	88091	0	59914	60116	68732	56955	37483	0	89231	33124	24478	75176	106274	39364	60616	73408	65291	60265	25912	51623	39644	45940	0	20723	17796	64245	62806	66136	40884	48730	0	52560	40399	31934	42265	73565	38496	26364	40116	29736	38421	41190	46924	63903	43335	62982	112891	58388	54359	0	60128	60888	24224	18777	33367	80891	48449	63816	89830	69566	27214	0	35852	71885	Phytochemical	0.55	1.2	0.1
12	C20 H24 O11 N2	469.1453	469.14597	-0.029360404	469.14526	70265	81880	73853	76155	36984	40824	53273	100080	62312	83449	56988	60128	63057	17166	75788	64531	75893	78106	85087	96355	114106	150435	79604	89665	44021	7296	35792	20363	82875	61972	80753	69894	108939	64158	141430	64294	80786	69551	77179	111224	124528	48885	438	0	0	131244	151475	0	78356	81667	78530	76195	48036	0	100388	40824	32842	70860	99728	77119	65479	99752	89813	70568	29373	71041	56597	90412	21341	26557	31272	81739	64360	78374	48300	60838	0	63066	59272	45099	54857	89555	45841	38630	46790	39873	55819	46233	49065	106377	43176	89274	121341	86385	66352	0	84002	85714	47869	30062	34652	100823	64343	80721	135158	84953	41802	0	39502	99671	Phytochemical	0.55	1.2	0.1
22	C25 H24 O9	469.14932	469.14984	-0.08942662	469.14926	67443	74642	58000	72750	80987	51331	20050	25059	97359	221880	143704	18237	85942	59284	33338	27982	13987	93165	83053	171392	186342	94661	44869	40247	30249	235785	18016	125685	19254	20271	21275	16464	35751	12901	273514	17270	28673	26233	17561	110775	99415	25256	0	0	0	106306	98772	0	24304	15794	70425	69846	51305	391	93147	74789	41429	37247	25773	23166	30614	77963	109426	71835	43297	94431	44191	16827	182611	315164	303989	20026	13032	11532	12176	14137	509	21004	53095	64579	48302	67283	24370	88918	97925	53233	53021	34474	41217	30299	38381	50379	42327	100955	124247	0	65531	68846	80132	89155	80250	33648	19213	38710	61971	26888	73552	0	26367	121774	Phytochemical	0.36	0.96	0.0
12	C25 H24 O9	469.14932	469.15005	0.10692966	469.14935	5898	9303	8741	7991	4111	3617	3922	5562	4638	16214	5394	4708	3204	3512	3592	5899	6267	2832	5371	17666	11952	8647	5332	7298	3877	21944	4105	0	3342	4330	2904	5318	3997	4287	20892	4587	2827	4495	6168	6923	17675	3131	0	0	0	13996	18887	0	3830	4422	14436	10053	3814	0	3324	4708	1442	6806	0	0	0	9026	4907	7626	1355	2474	2529	6799	0	21362	36201	3758	5373	3159	4632	3463	0	0	9971	0	5124	6916	5414	9041	4109	4255	5285	0	4332	10632	4062	3953	4842	0	7068	0	7473	5184	8306	6328	3522	6416	4429	9029	0	3234	4118	0	7637	5774	Phytochemical	0.36	0.96	0.0
28	C25 H24 O9	469.14932	469.1498	-0.09303821	469.14926	7829	6909	7414	6755	11305	5425	1937	3339	12369	24006	10230	1230	21478	5748	2714	5137	2220	12274	14119	13718	17815	9652	4777	4055	3523	27663	1524	12394	0	0	1118	0	2239	1354	26647	0	2199	2369	2761	9242	11328	4166	0	0	0	8335	9411	0	2509	2950	8291	7067	8770	0	11714	10564	3456	2450	2029	1982	2427	6611	17317	9913	2856	14583	4871	2481	29630	39164	48426	0	1047	0	0	1762	0	2065	9832	10188	7152	6460	3194	7255	16357	5294	6578	4496	3237	2539	4637	4148	4273	11522	15662	0	8469	8510	7293	16707	12683	2689	2023	3879	6164	1863	8004	0	2757	14547	Phytochemical	0.36	0.96	0.0
24	C25 H24 O9	469.14932	469.1498	-0.10901702	469.14926	33362	35003	35716	26459	42680	25297	6274	11943	51124	111519	65511	6130	62659	25276	14176	11016	7136	45778	41794	76601	78697	47693	19820	11896	14179	116377	5712	52078	7027	5236	6523	4306	13216	8613	121955	4141	13936	11550	6877	58859	45362	10009	0	0	0	41482	48290	0	9733	7251	33820	36208	31726	0	49280	39513	20022	14500	10932	7102	11961	39672	62288	38877	14457	53488	24531	8913	107716	134159	158344	6744	3133	0	6709	6734	0	7234	35856	27141	26055	37157	10091	43935	62668	24166	27811	12673	19991	13189	18030	16220	15731	43424	58677	0	44835	35408	35324	49798	47820	9985	6516	15187	28840	12330	43020	0	11439	65205	Phytochemical	0.36	0.96	0.0
14	C25 H24 O9	469.14932	469.14996	-0.022793235	469.1493	21733	30256	17169	23041	15985	7699	14639	17208	16424	50370	42983	10970	12723	8712	7166	12864	13052	14717	19846	50458	39555	22058	14571	16244	11682	68794	14175	28366	12887	12093	11278	17355	12214	10210	67630	10335	10596	10096	12035	31432	36674	7213	0	0	0	28586	35783	0	16602	11941	24720	23547	9469	0	12175	12409	9130	24673	14464	13089	0	22131	20198	17219	9674	18150	9478	9464	50490	60180	86737	11347	13871	13376	11891	13195	0	8590	21849	23264	16361	22611	16014	28279	17742	6711	16823	7132	8651	26475	7367	12940	15049	22488	24716	0	22876	18336	17785	13053	15624	11159	9811	24291	25224	11164	15234	0	16143	19267	Phytochemical	0.36	0.96	0.0
18	C25 H24 O9	469.14932	469.1499	-0.026144374	469.1493	101669	86180	75029	80670	84779	46979	24971	42729	81025	262786	168654	24700	94618	53748	35819	40845	24865	87089	101097	206398	177604	90485	45656	50433	37331	275143	34483	139650	31279	28258	33766	38657	53254	29208	286353	39439	47713	44169	32059	130754	113821	34483	1700	0	0	105448	104716	0	42424	28072	87874	85627	56066	0	92698	72256	38258	50128	33822	35492	41370	86109	106688	61054	39955	83781	52785	25971	227272	291877	349917	30531	29618	21325	25190	33832	0	31801	82565	76299	56430	87302	37581	95637	89492	49275	58375	35057	42164	47782	53487	58881	56969	97581	139378	0	81476	76629	88052	78406	69885	41653	28578	45959	58968	40349	63704	0	32470	85345	Phytochemical	0.36	0.96	0.0
26	C25 H24 O9	469.14932	469.1498	-0.04926259	469.1493	16740	14163	17313	16744	21919	12797	2256	0	22238	47297	25635	3161	30469	11635	6410	7156	0	17015	28423	35268	42963	24638	6590	5704	0	63976	3465	23828	0	0	4745	0	4685	0	54293	0	6187	5172	4260	23646	23968	0	0	0	0	16563	23094	0	4358	0	19501	17815	12920	0	21888	24425	9104	4921	3844	3396	4770	13510	33787	23231	5327	19372	8930	3671	58462	66504	88801	3032	0	0	0	3088	0	4909	15278	23894	12076	15125	2720	16485	30338	14997	8096	7623	6289	6180	6584	7313	6994	24533	35415	0	16116	12376	14140	26497	33570	4811	4424	6994	8492	3969	15751	0	5795	35822	Phytochemical	0.36	0.96	0.0
20	C22 H28 O11	469.17044	469.171	-0.043639094	469.1704	183343	177678	192643	156331	136064	156184	86314	212013	191158	374524	110209	86080	246646	83224	187333	127099	50944	233219	230875	358683	273176	222081	157031	177809	171604	111645	68248	89563	187749	147176	184160	169907	197800	156229	434723	156727	215776	120405	61825	224820	84952	88246	3101	752	469	277800	144773	510	162975	146323	174847	180460	127788	757	285409	110145	78357	142674	211225	48507	155815	148437	221654	182552	74983	153545	114356	55010	87338	275331	111709	183778	164125	195111	74157	151721	0	147153	135221	79793	121413	140839	115955	127527	95729	90795	107954	72387	110654	62405	152427	220679	206671	99394	131190	1559	184602	175293	115739	78969	81919	157094	104339	169813	169935	143779	106438	914	103633	278424	Phytochemical	0.5	1.2727273	0.0
14	C22 H28 O11	469.17044	469.17114	-0.021394866	469.17044	596526	532964	529940	546180	300138	290244	405946	654774	401658	1121236	627466	336482	388318	88377	456910	507452	368724	468724	458420	512642	412550	730456	252657	643892	374858	194791	316240	253237	494958	269031	241465	334292	573250	227757	1349884	571992	263219	203024	188477	673936	271916	149226	4764	373	261	720614	608176	477	559390	511932	548260	538322	309976	664	521886	256252	220432	287338	687340	187362	350638	250011	457308	436358	205672	355768	298720	328154	231004	617984	263516	552658	495594	567936	336194	261859	0	415228	439410	163813	423990	485656	426214	209495	333598	136008	375672	136028	167130	206876	451646	476010	581294	387260	512606	1513	536482	529408	326210	146538	138239	519384	346328	652536	304810	438796	278702	0	377304	423160	Phytochemical	0.5	1.2727273	0.0
10	C22 H28 O11	469.17044	469.17102	-0.023481162	469.17044	47909	82836	42621	81404	38666	22083	32034	58236	48868	134870	41543	37589	29209	11802	34398	57870	38859	25210	35018	61280	63385	49054	42017	109690	52068	33077	39979	30162	45614	53441	45493	48028	84304	68660	74253	46554	48508	33558	89524	90998	93694	40820	0	0	0	59085	100348	0	51501	41204	43996	89876	36294	0	38494	24858	32642	93656	44239	83408	56098	34226	32214	56016	33840	25783	42916	86216	39990	50921	105496	47463	82886	52223	77360	43959	0	32046	46286	30209	45137	39393	37927	63344	29474	37120	39312	35622	45614	41833	27747	69412	52634	35359	42316	426	46683	46588	25319	24291	49316	40714	29759	57243	40584	67916	26540	0	30718	30881	Phytochemical	0.5	1.2727273	0.0
24	C22 H28 O11	469.17044	469.17105	0.11176801	469.1705	16448	17087	14747	19226	10796	13442	4146	12715	16032	38880	9294	10109	20482	4146	14471	9667	4496	19224	19397	25842	27252	12921	14494	15197	13042	5592	3412	9263	10413	8761	11800	11126	16211	11776	37059	10576	20168	10507	4311	16742	12237	6636	0	0	0	29520	14586	0	12264	11194	16181	17677	10238	0	19128	11283	8740	10856	13162	6940	15619	13543	23058	11023	5284	11615	6548	5236	9328	20407	0	18685	12013	14344	6488	9674	0	13163	13420	4669	13650	13777	9572	8522	11331	10675	11109	5635	10781	0	15199	16038	17093	8815	17635	0	14159	12108	7611	26459	33546	10025	10197	11904	17196	10826	10473	0	10979	22845	Phytochemical	0.5	1.2727273	0.0
6	C21 H28 O10 N2	469.18167	469.18243	-0.10520894	469.1816	25382	25755	22848	25110	10927	10230	11660	29371	18113	30689	14799	15198	24997	4378	18370	34324	19137	22524	27281	23315	28686	40403	21590	30068	9959	2480	11544	7216	22366	20380	27667	22119	29373	21152	38721	19092	31505	17203	22617	21247	25347	13701	0	0	0	24219	31544	0	29834	23658	23539	25234	13287	0	26622	13210	8764	24320	21199	18043	26428	15585	25247	20885	7778	18506	15134	25466	3476	6760	7527	24374	20996	17096	10163	18877	0	14451	17701	9845	12025	13485	13350	8052	16945	9516	18153	15654	14637	32080	28281	42161	46399	22240	26264	0	25044	20778	7057	13312	17897	25877	15807	27795	12132	24627	9246	0	13085	26775	Lipid	0.47619048	1.3333334	0.0952381
16	C21 H28 O10 N2	469.18167	469.1823	-0.079357564	469.18164	100286	94552	94452	102024	36328	64308	82920	151112	71390	95460	46812	59028	79976	21290	132878	104780	43894	109530	125260	121366	97864	155086	105954	139072	139674	14854	64112	40946	139372	117056	136178	141832	153956	126010	158842	126562	157466	81668	65582	121584	40082	58148	1304	0	0	118651	63930	0	140750	127461	92888	94022	65144	0	109840	35978	42764	127496	166836	43064	127846	81270	83320	66756	29868	57650	79332	55966	10620	32032	28491	144232	120526	135106	59956	116728	0	95246	67536	45390	57554	65450	88648	79110	42292	43666	67182	60236	61632	85190	132158	191838	247356	49061	83326	0	90308	113560	33648	20670	34426	136270	73262	143024	50732	135272	33060	0	84918	99540	Lipid	0.47619048	1.3333334	0.0952381
12	C21 H28 O10 N2	469.18167	469.1823	-0.107764155	469.1816	90365	84378	76098	99700	30426	38464	89290	135656	53993	95292	44444	47857	48446	12949	94037	82073	60655	71008	77145	133730	96524	161940	86279	111573	84214	14688	53623	37318	107389	83935	111225	99344	131411	82599	159976	97976	104058	80961	68019	122107	69451	46461	407	0	0	111033	60310	0	101114	98824	79802	89040	45985	0	81672	29763	33887	102503	177778	57516	80387	75635	63288	53178	25258	53697	53398	65173	21286	33486	23305	105683	98518	96283	53613	78974	0	85977	67242	46315	57966	60321	72694	47839	30828	34866	66838	39194	50621	94811	90939	135860	157447	74049	70292	0	88404	93774	31348	24270	24489	108444	69874	124784	58891	93174	30464	0	71602	69527	Lipid	0.47619048	1.3333334	0.0952381
26	C26 H28 O8	469.1857	469.18625	-0.09206507	469.18564	35016	35107	29971	36407	46843	22951	6390	21015	48106	76057	56029	12056	56265	32528	15721	18243	14313	44323	49036	82400	81869	35271	25646	22740	15127	143979	7522	59662	17613	15336	16637	10449	19733	13063	89049	14335	22510	19317	14141	55658	63770	19466	0	0	0	40049	44564	0	16577	17242	38770	36249	32637	0	42820	45931	18540	21181	11870	9571	17561	38257	56589	33646	13505	48301	26507	15475	144232	151711	196376	12950	14066	10910	8811	10984	0	12052	37617	33691	27098	26424	17856	40771	65829	25792	36465	16364	22948	21173	21335	20170	27201	31234	47446	0	35122	42132	33143	59392	50121	19198	11182	18917	23783	15914	33746	0	19602	50139	Phytochemical	0.30769232	1.0769231	0.0
14	C26 H28 O8	469.1857	469.18634	-0.08463876	469.18567	30908	28957	25465	29063	8907	8242	17476	26554	12341	27854	21817	20867	15665	9078	19330	33874	26488	7621	14062	36761	34479	17334	22008	19526	13989	55229	20012	19831	19454	21584	15580	16511	18531	14055	29578	20053	18806	17758	27568	22611	44057	13611	0	0	0	21300	30063	0	19839	17787	27737	23197	10646	0	17528	12628	12883	28859	19619	23673	26405	19278	13841	14544	9502	12909	12622	27728	50089	51923	59724	13188	18685	20690	20451	22954	0	13070	38750	0	29496	20108	23176	21274	14403	8489	31343	11417	12702	36695	27138	15007	24454	15506	20205	0	24470	20331	16378	17386	20381	18822	17011	29506	22811	23494	14236	0	20611	12727	Phytochemical	0.30769232	1.0769231	0.0
20	C26 H28 O8	469.1857	469.18628	-0.0554485	469.18567	208297	200182	192858	168301	180819	128479	86452	132640	175975	371245	288089	84751	219563	126898	125102	141433	99563	165600	201838	385733	399021	190725	140177	150106	115788	673801	87507	259364	114589	101059	104427	115323	147391	105326	451338	100219	142552	97888	112791	264542	267363	106208	4461	0	385	177815	196520	855	116998	102529	192076	189362	121210	738	171106	161537	93737	136260	108286	93127	129289	183734	203987	139043	86468	181941	125855	110389	518292	746247	848969	117807	100580	93861	99152	115169	404	89284	181883	140541	136317	125611	106738	264355	196237	106513	185870	109904	111004	147875	144278	136292	185084	145423	169814	1380	190771	191222	165085	180733	171861	129448	84038	152324	115692	123237	158350	0	117918	220834	Phytochemical	0.30769232	1.0769231	0.0
22	C26 H28 O8	469.1857	469.18625	-0.05082946	469.18567	190934	184154	171298	162725	175301	119541	63560	115302	212198	406188	304923	68716	202029	120531	101979	125561	84783	185411	188956	402218	409131	177791	116795	127509	102990	629897	56334	286948	98774	80168	89577	99095	113194	83789	480029	87081	130703	96212	78255	270297	258611	93363	6232	0	364	190509	178369	0	95438	88252	181449	186820	134297	900	176216	150899	100805	124746	86828	79263	114575	189586	222960	142923	75034	182175	116073	75808	573105	818382	820940	102627	78761	71814	59228	87525	551	80287	171578	119701	139046	128445	85512	205138	209857	123762	155545	95762	98799	107071	147127	140399	155149	159476	220312	0	163442	170280	162165	176445	172736	110006	75295	131959	124094	106821	158142	0	100959	214034	Phytochemical	0.30769232	1.0769231	0.0
28	C26 H28 O8	469.1857	469.18622	-0.10569493	469.18564	14681	10997	12291	11233	15676	7873	4281	7901	16768	27233	19651	3963	27269	10396	6214	11904	5336	15666	20684	24285	25855	15796	6811	11098	5516	44526	4662	16852	4863	4524	6333	4411	5321	5771	33479	5625	6472	5783	4957	13823	21259	6797	0	0	0	11932	13119	0	5805	4864	11736	12033	12735	0	16211	16874	5306	6703	3348	3552	11447	8956	21015	12585	6130	21561	9881	5704	55601	60920	86607	6292	3244	3543	2644	3289	0	3674	16421	13342	10321	8629	4675	15018	24449	7865	14929	9719	5986	8191	7397	9044	10457	13717	586960	0	13178	11680	13038	21936	24188	6916	3086	7689	8227	6856	13199	0	5948	17311	Phytochemical	0.30769232	1.0769231	0.0
2	C20 H28 O9 N4	469.1929	469.19382	0.009278225	469.1929	2279	3205	2685	2157	1109	0	1514	2974	1924	626	0	3182	2571	495	2284	778	4277	2058	3224	0	1279	3270	3888	3667	940	0	0	6299	4209	1901	3333	3541	7286	3182	1402	2083	3945	2414	5201	610	1172	0	0	0	0	653	629	0	3312	1819	3551	2373	1334	0	2928	0	1592	3056	1310	1115	1076	476	3298	2015	0	2445	3454	5927	0	500	0	2246	2716	2283	0	2646	0	1953	3752	27042	2027	0	1058	0	1422	1024	3514	3588	1781	10464	12522	8607	9005	4877	0	0	2569	2441	1349	1329	737	2917	2371	1277	704	3977	1207	0	3091	2460	Peptide	0.45	1.4	0.2
4	C20 H28 O9 N4	469.1929	469.1936	-0.053840324	469.19287	2626	3142	2706	3538	1397	1536	1130	2085	2120	0	0	1774	2169	749	2189	5393	3950	2255	1894	1609	0	3846	2980	3403	3020	0	1037	3206	3000	1742	2873	2713	4089	2530	1249	3119	4341	2637	5178	1089	1840	1469	0	0	0	1408	1812	0	3221	2495	2992	3470	1227	0	2897	1289	1001	3599	2552	1544	3653	0	2513	1648	1565	1843	1738	4894	0	0	0	2144	2415	2745	0	1546	0	1990	2676	26425	1751	509	979	0	1661	1628	2716	2013	1483	6733	17094	9018	8276	3235	1775	0	2209	3028	1033	1362	1004	5080	1833	2650	0	4238	1200	0	2163	2554	Peptide	0.45	1.4	0.2
6	C20 H28 O9 N4	469.1929	469.19366	-0.046933234	469.19287	7123	5456	5209	8630	3535	3457	4117	6389	2963	3082	2141	5322	4494	0	8036	9341	5377	4451	5675	2233	3014	10640	6250	8448	7094	0	4218	3899	9464	5477	8610	8414	12467	7275	4283	7465	8951	5017	8770	2446	2972	4767	0	0	0	2792	3808	0	9882	6351	7034	7567	2008	0	4579	1374	2773	12881	5117	4195	11300	2645	4863	3988	1750	4169	5973	10590	0	0	0	6701	6495	6404	4058	5196	0	4849	6263	19700	3435	1700	3347	1073	2684	2047	6484	5012	5247	16087	18196	16772	20237	5758	3331	0	5058	6003	1330	1883	1607	8880	5534	7267	0	10013	2495	0	7542	6474	Peptide	0.45	1.4	0.2
8	C20 H28 O9 N4	469.1929	469.1936	-0.056579363	469.19287	6946	6959	5834	8053	0	2141	4760	7147	3109	2958	0	4554	4564	0	6399	8214	5191	3509	4230	3997	2131	10666	6967	11434	5465	0	4021	2995	5920	5653	6315	9540	8716	6168	4204	7272	9812	5310	6513	4528	2568	3463	0	0	0	4899	0	0	7264	6019	8030	6009	1638	0	2970	1194	2766	12801	8105	1784	9084	2264	4595	3849	3440	5009	3339	7937	0	0	0	7402	6067	4760	4508	5145	0	4049	6385	5976	4883	3138	4230	1590	2248	0	6438	4070	3749	11977	0	16870	22826	0	0	0	5852	7519	2315	1932	0	8472	5098	5128	0	10395	0	0	6834	4743	Peptide	0.45	1.4	0.2
12	C20 H28 O9 N4	469.1929	469.19366	0.08584094	469.19293	40880	22576	56523	40600	22608	27973	48410	34639	29016	78590	44812	29034	31734	14341	28419	46880	46416	36548	47068	108140	45328	65178	29221	22666	41481	63412	27676	12934	55258	18838	28299	36360	62394	42916	114062	55738	46771	38729	42468	74468	54410	28875	394	0	0	83797	59572	0	47764	31564	38924	34302	28820	0	46580	9277	7027	22104	53752	12324	0	58940	15125	24696	15700	11632	28546	14695	17661	60210	27606	51384	43834	51834	32444	44626	0	40001	41173	0	35950	22965	24607	38002	30148	21354	31894	18472	30843	26126	18493	56193	71240	47172	39828	0	49192	51849	10664	18072	24915	18367	15024	56228	0	46281	22882	0	37994	39727	Peptide	0.45	1.4	0.2
12	C23 H32 O10	469.20682	469.20758	-0.0748038	469.2068	37381	41167	45200	39952	12636	12101	35910	51870	20972	41730	25007	25151	17561	9487	32230	45503	42509	19263	24119	86666	34976	42063	31436	48805	28719	16802	37771	22239	44968	45641	42361	42060	40412	32336	82184	42264	34284	32735	47877	25303	29616	14985	0	0	0	35240	33480	0	45718	45024	37676	34093	13563	0	30874	14067	13513	48098	47122	29761	48439	20492	23941	18978	13416	23695	21023	52660	26868	28965	24020	30693	38604	95888	41198	44908	0	60542	39832	0	32803	24555	36795	16370	18935	16382	31587	13242	20172	45801	28922	39992	85928	19193	24353	0	43787	36477	18541	18264	17799	49460	27383	40285	0	31465	17667	0	35198	17389	Lipid	0.4347826	1.3913044	0.0
24	C23 H32 O10	469.20682	469.2073	-0.11696134	469.20676	25297	28525	25810	28919	18466	23326	13677	30183	24139	73908	15499	13470	40882	10119	30596	20104	0	44749	36848	46146	43791	34759	26201	29579	23365	0	7791	12501	32230	22774	30854	25136	36795	24166	76131	26407	51164	19593	11534	28698	7310	14519	0	0	0	31355	12769	0	30318	23584	24284	29556	18585	0	50440	16183	10928	29940	29223	7582	21703	18522	37600	27385	7624	24928	15236	7602	0	36311	14926	29752	26917	37038	11833	21936	0	23255	19628	6633	20724	15325	17628	12797	18460	15842	16264	12615	24421	6625	33862	34804	40675	11527	15283	0	26905	27965	12792	14758	10577	29366	13066	26784	13014	28546	13042	0	16012	47925	Lipid	0.4347826	1.3913044	0.0
20	C23 H32 O10	469.20682	469.20737	-0.083372205	469.2068	289701	269802	298497	273121	182962	220583	157901	377630	297034	645346	171010	144642	309317	126264	339209	227363	96536	324256	376206	535389	389734	319541	264296	338818	329314	143705	137034	191949	384758	281575	322275	322910	362719	277105	735720	312551	451782	228304	111987	345730	93113	175067	5324	983	508	306228	101199	513	302945	265914	284624	286181	190275	1480	455607	180658	126816	279317	417220	71606	306786	195925	304121	270470	108966	242780	196330	115001	106704	382983	142309	334496	295296	367869	122646	294937	393	264902	220278	106800	191366	130131	205286	168083	168954	147906	186799	118204	190525	113797	338468	406893	398260	126252	219865	1593	303757	293719	158546	126673	127747	308185	200790	350266	157280	282078	138575	744	174024	361560	Lipid	0.4347826	1.3913044	0.0
18	C23 H32 O10	469.20682	469.20737	-0.085782506	469.2068	337960	289783	304964	283096	165741	182641	202232	401305	219308	558925	242442	176706	292966	112277	321180	287819	146052	282803	355982	503557	381741	310366	294506	382972	303698	161248	162592	223098	398739	323696	350527	366705	390424	332264	591438	370409	399943	251624	158190	328540	152994	179047	5605	745	605	288791	130780	467	356795	312839	289692	290661	186816	913	415265	180590	143156	315445	336474	109985	312211	214851	290401	272371	114981	245956	197969	159288	143433	345737	173931	351205	280680	364612	170060	357100	0	261333	267340	137922	239326	184609	237646	176222	179494	168315	221001	149896	200630	151032	314671	359623	407901	158682	238968	2411	302136	288735	172124	160336	151214	344264	210823	363480	152078	275329	144859	467	215278	292008	Lipid	0.4347826	1.3913044	0.0
8	C22 H32 O9 N2	469.21805	469.21875	-0.10749029	469.21802	17527	17474	14143	19256	7023	9004	8861	21881	8698	17093	4897	9461	12131	3625	14763	20953	8018	10399	13084	20110	14107	29189	11004	23053	16256	1535	6018	5839	18013	16418	17247	22262	28757	17191	25174	16476	25827	11665	11072	16590	9005	6914	0	0	0	16176	8967	0	20071	16097	16827	13801	6558	0	12713	4969	4579	18693	14892	4832	15736	7931	11762	8631	1733	11298	7830	15536	0	6192	3872	15954	15493	11605	7277	13547	0	9366	11006	22640	10332	6549	9948	6750	4646	3601	9667	6167	11664	16447	20995	42803	29557	9321	11985	0	17211	15206	4222	4590	3536	15897	8322	19419	0	19666	5885	0	9171	12610	Lipid	0.4090909	1.4545455	0.09090909
26	C27 H32 O7	469.22208	469.22266	-0.06730442	469.22205	96492	99017	99058	91704	113231	57222	31343	93193	99859	148198	156388	42560	141046	70711	65982	90641	55243	103636	138994	200772	187634	97545	65861	101357	67973	340738	36327	152146	72696	76502	65699	55884	81709	62840	184965	80191	91189	56739	61810	146346	137361	60853	0	0	0	92977	79207	0	74588	72225	103333	91957	86273	0	111097	113675	50040	76205	64504	40014	85311	91973	106937	88195	40991	114791	79430	60989	342432	340726	381147	69175	61274	63638	43094	59864	0	55688	99344	76288	69925	60813	56635	116603	135608	69361	96625	54997	61027	69247	72202	75262	120207	79098	87121	0	90484	92610	75904	135663	139807	88284	42737	91169	65879	68599	95387	0	64156	106422	Phytochemical	0.25925925	1.1851852	0.0
14	C27 H32 O7	469.22208	469.2227	-0.09398217	469.22205	14893	18407	12392	11803	5484	5012	15901	11385	6403	8640	8438	11069	2709	3166	13006	19257	19001	2355	6374	10672	7959	8478	10925	16739	8806	11592	16586	0	7241	17750	12360	18459	12257	3735	13800	15221	9051	15344	29235	7051	12706	10172	0	0	0	8957	17285	0	14903	17653	15779	13602	4668	0	4953	6658	7942	15911	6890	18313	0	7251	6713	8165	6349	5777	4052	23096	0	11734	21566	7000	7779	15373	20244	12788	0	9454	20608	0	18291	10498	14181	7259	8019	5170	22341	5764	6949	31120	12256	13390	15188	5153	6121	0	14996	11500	4328	17138	12509	15392	11350	15492	0	8398	7117	0	18301	2293	Phytochemical	0.25925925	1.1851852	0.0
6	C21 H32 O8 N4	469.22928	469.22998	0.056161832	469.2293	2183	3140	2911	2531	483	1986	2067	2865	1044	0	0	826	1402	0	3214	5936	1570	1708	1311	0	833	3357	2383	3253	3771	0	1249	7761	4440	2683	2599	3952	2827	2501	1603	3005	4151	2342	1601	0	0	1862	0	0	0	0	0	0	4068	1771	3290	2760	1005	0	2232	0	465	4500	1149	0	1603	0	1865	953	1048	2005	1364	0	0	0	0	2139	2302	2892	0	1523	0	1625	1577	17766	1315	919	860	0	0	0	2139	871	1649	5705	27474	16185	9944	1973	0	0	2223	2146	790	613	0	4076	1134	0	0	3377	0	0	1675	1360	Peptide	0.3809524	1.5238096	0.1904762
8	C21 H32 O8 N4	469.22928	469.23	0.16288029	469.22937	3632	2559	1908	2379	777	1045	0	2138	0	0	0	1255	1156	0	2651	1829	1482	904	1939	0	0	3514	1331	3022	3770	0	1127	0	2965	3223	3575	3055	3946	2053	2041	2185	2611	1055	1148	0	0	767	0	0	0	0	0	0	1930	1112	1837	3234	1222	0	2308	759	0	3453	1458	0	0	0	0	0	0	0	1512	2226	0	0	0	2284	1062	1888	2097	1397	0	1516	1802	5660	1895	442	838	0	0	0	2373	1268	894	3886	20314	14644	6734	0	1386	0	1767	1272	0	0	0	3379	1915	4508	0	2323	0	0	2204	0	Peptide	0.3809524	1.5238096	0.1904762
4	C21 H32 O8 N4	469.22928	469.2301	-0.032387063	469.22928	2021	2820	1678	2391	371	7050	1040	2369	667	0	0	1693	790	0	1882	2680	1390	1488	1354	0	0	2137	1139	3542	1600	0	1383	6668	1897	2274	2555	3221	3808	2804	0	2821	3922	1425	3450	0	0	727	0	0	0	0	0	0	3142	2119	2025	2359	982	0	1293	485	352	2296	797	0	2027	0	370	836	0	0	398	2618	0	0	0	2384	2408	1854	0	1775	0	1889	1079	24181	921	0	709	0	0	531	1565	912	598	1947	17533	9654	4222	1471	0	0	1654	2596	0	0	513	3026	1391	0	0	1898	0	0	0	1295	Peptide	0.3809524	1.5238096	0.1904762
12	C24 H36 O9	469.2432	469.2438	-0.07788733	469.24316	8478	7350	7588	4508	0	5340	10454	8386	5990	0	0	5059	0	0	6878	13148	14898	0	3586	3200	3042	0	6112	7716	5940	2364	13354	0	6246	13726	10332	10908	4974	4228	0	13526	8200	7824	17504	0	0	2422	0	0	0	0	0	0	8976	11600	6174	0	0	0	0	5084	3210	11382	0	0	0	0	2898	0	2614	0	3494	24352	0	3478	0	6104	6186	13782	19754	11862	0	6540	7930	0	6290	2320	4012	0	2584	1554	12818	2370	2352	0	17794	4420	8822	0	3970	0	5640	0	0	2514	3310	7736	5168	9410	0	7620	0	0	10352	0	Lipid	0.375	1.5	0.0
16	C24 H36 O9	469.2432	469.24377	-0.1504846	469.24313	38032	60380	45448	40584	21148	24894	67908	68898	32034	16240	22308	39118	33600	17494	40706	72340	82576	37820	63092	34358	30194	32650	42010	57966	48076	12284	58392	21642	70572	70678	57632	65712	74764	57986	28406	80120	61486	45584	75587	18938	11826	26052	1578	0	0	26158	22130	0	82724	67914	47698	42370	20508	0	55130	35180	25192	49186	41104	28688	51014	11610	19840	32948	19888	26448	28092	69448	8512	16850	25740	43884	64254	84732	83091	64474	0	46568	57344	33270	37840	18916	62732	24858	40800	33422	66624	23648	22922	57490	63588	46518	0	13500	21120	0	40204	44814	26570	43258	41696	65566	37026	57066	0	56190	32512	0	55622	31612	Lipid	0.375	1.5	0.0
14	C24 H36 O9	469.2432	469.24387	-0.030343851	469.2432	7316	10044	12939	8895	4488	3534	12405	13757	4161	2264	4854	9555	4607	2644	13440	15348	25034	4559	6945	7618	5554	4344	8827	12712	8683	2896	14867	0	12932	17178	9869	10844	22048	10500	2978	18079	12003	11447	16748	1621	3847	6418	0	0	0	5740	5273	0	12151	11953	8316	7948	3311	0	4984	5370	4332	16937	7074	0	0	1851	4951	4295	3462	2381	4535	17744	0	2675	3150	7321	12024	19136	19903	13198	0	9197	9606	33420	8202	4839	8103	3847	8650	5873	16407	2786	5465	14685	37613	8852	10241	4769	2097	0	7748	8372	3456	5169	10228	16085	5951	6750	0	6939	2852	0	11499	4046	Lipid	0.375	1.5	0.0
10	C23 H36 O8 N2	469.25446	469.2553	0.14873517	469.25452	3267	2574	1608	2805	0	1797	1459	2210	0	0	0	931	0	0	1480	5176	1301	1297	1115	1306	1987	2943	1577	2468	3095	0	1767	0	3231	2140	2826	5782	5813	2619	0	1754	6471	1620	1883	0	0	1427	0	0	0	0	0	0	2623	1861	1787	0	864	0	1062	636	946	4986	0	0	0	0	0	939	0	1039	1259	1252	0	0	0	2975	2417	3119	2178	2738	0	1037	1044	0	0	0	0	0	0	643	2386	1365	0	1704	29930	5424	8113	0	0	0	1590	1726	0	717	0	4300	0	0	0	4281	0	0	1817	0	Lipid	0.3478261	1.5652174	0.08695652
16	C28 H36 O6	469.25845	469.25903	-0.08077223	469.25842	5840	9224	5478	6709	4257	3322	10435	6457	3523	0	3712	5878	4919	3273	9866	8700	21353	2129	4778	5019	8722	4498	5732	7883	7165	4581	12470	4775	5266	11762	7223	5062	3113	3212	1632	7718	5472	6619	19782	4819	4978	2660	0	0	0	3734	5211	0	9365	7666	7543	7957	4910	0	5204	6250	5088	9232	3862	7470	0	2092	5962	5330	3139	2648	3714	23180	2840	4107	10568	1815	3615	4801	12784	7846	0	5991	17730	4831	9915	4373	8619	4757	14018	7276	16735	1992	4303	0	7363	8154	0	0	3457	0	7384	6622	5682	17580	19745	6811	5695	3923	0	0	10262	0	8350	1820	Phytochemical	0.21428572	1.2857143	0.0
8	C22 H36 O7 N4	469.2657	469.26636	-0.002144083	469.2657	1424	2187	2079	2187	0	1557	0	0	0	0	1019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6979	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1896	1880	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24096	0	0	0	0	0	0	0	0	0	0	262708	145830	0	4757	1171	0	1797	1151	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.6363636	0.18181819
10	C22 H36 O7 N4	469.2657	469.26596	-0.07961064	469.26562	0	0	0	0	0	0	0	0	0	0	0	0	0	1984	0	0	0	0	0	0	0	0	0	0	0	0	0	4293	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8338	0	0	0	0	0	0	0	0	0	0	174201	76424	0	1076	0	0	1574	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.6363636	0.18181819
6	C22 H36 O7 N4	469.2657	469.26584	0.17685963	469.26575	0	681	0	0	0	1263	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	808	678	0	0	7669	0	792	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1024	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11823	0	0	0	0	0	0	0	0	522	0	91998	50265	0	1136	0	0	885	0	0	0	0	0	0	0	0	0	0	0	0	694	Peptide	0.3181818	1.6363636	0.18181819
20	C25 H40 O8	469.2796	469.28006	-0.1445335	469.27954	3968	7376	4452	7782	3597	1472	21643	5809	4008	0	0	7606	0	2650	2577	8256	12715	4124	4537	3781	0	1641	1362	2082	4164	2265	20704	2816	12209	16548	7043	11233	10558	7372	0	12305	10321	4493	11081	0	0	3178	506	0	0	1845	0	0	16602	5153	3698	5530	4186	0	4467	4639	1677	8548	1773	3637	6413	0	3477	3409	7294	4541	3917	10800	0	0	0	7822	10922	12980	17232	13696	0	5182	4144	2949	1412	0	27277	17075	5727	3694	5573	2301	5976	4620	7242	6854	6002	0	0	0	5192	5606	2462	6710	7677	12535	8264	9470	0	5461	3442	0	2968	1817	Lipid	0.32	1.6	0.0
26	C25 H40 O8	469.2796	469.28003	-0.11786543	469.27954	6601	7749	11005	8855	9100	4532	34202	0	12648	5350	5541	0	7405	13678	13317	7012	7133	11999	16882	9069	7179	7606	0	6352	10501	0	26683	14263	12230	11804	7270	10075	20587	9797	14222	15297	21389	6624	8262	6074	0	0	0	0	0	6261	0	0	11974	0	9667	9504	7738	0	14600	9137	9157	11074	15973	0	7288	6796	12744	7681	4703	15275	11277	9107	0	3928	4315	8314	13012	11554	0	11088	0	6367	3626	0	3921	7808	21666	5403	5553	0	9664	3669	5886	2855	26135	27210	8797	5663	0	0	4840	8025	30812	3986	5634	12927	5492	18439	25182	9156	0	0	4752	8907	Lipid	0.32	1.6	0.0
20	C29 H40 O5	469.29486	469.29535	-0.17686012	469.29477	19756	20074	19738	13474	22531	6533	30946	18473	20370	0	8031	17512	7518	18957	16927	30034	73549	5898	17075	0	4143	9149	14242	10167	13662	5642	33310	6879	13255	15978	15238	24536	17644	8279	3148	20154	14820	18407	70059	2346	11843	15130	1442	1986	1100	2070	8842	0	17463	16070	19489	17596	15745	5780	16523	24716	20717	26744	9950	20447	15429	2512	6673	13287	19369	12227	13911	75103	5059	0	6025	5587	5656	17343	43473	22832	0	7708	36833	11068	23740	8436	18151	0	50598	21331	44338	11422	12823	64819	20872	14245	16561	6164	6213	3936	18151	16424	24704	46909	55541	23826	18315	12989	2863	15189	36384	0	29805	8365	Lipid	0.1724138	1.3793104	0.0
16	C28 H40 O4 N2	469.3061	469.30667	-0.1418158	469.30603	29575	35329	35278	32862	0	3011	0	2403118	0	0	0	7793	0	0	0	84339	0	0	0	0	0	0	0	0	0	0	0	0	47303	30982	123144	29908	5552	17331	0	5648	11087	0	0	0	0	32287	0	0	0	0	0	2037	50962	853339	34909	31553	0	0	0	0	0	2592	0	0	31689	0	0	0	0	0	4412	0	0	0	0	1152571	1430	7135	3891164	0	0	11418	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	614	38640	29931	0	0	0	2067	9449	0	0	73109	0	0	0	0	Lipid	0.14285715	1.4285715	0.071428575
26	C26 H44 O7	469.31598	469.3161	-0.12170752	469.31592	1930	4195	3060	4644	0	0	83923	0	0	0	2971	0	0	10436	0	0	0	0	0	0	0	0	0	0	0	0	63395	8373	0	5856	3183	4832	6560	2823	0	5780	3771	0	4368	0	0	0	0	0	0	0	0	0	6606	0	3370	2028	0	0	0	0	0	4380	3328	0	0	0	1717	0	9032	3096	7885	4153	0	0	0	0	0	0	0	6043	0	0	0	0	0	8235	10404	9468	0	0	2082	0	2225	1908	12874	10202	0	0	0	0	4870	0	0	0	0	7592	0	0	11704	0	0	0	0	0	Lipid	0.26923078	1.6923077	0.0
24	C26 H44 O7	469.31598	469.31622	-0.26246977	469.31586	1705	1487	1859	2038	0	0	58854	3884	0	0	1618	3357	0	7628	0	9338	1996	0	0	0	0	0	0	0	1241	3367	46759	3466	0	2707	1555	3845	2350	1977	0	4051	0	0	2954	0	0	0	0	0	0	0	0	0	3566	4890	1562	3198	0	0	0	0	0	2116	0	2081	4327	0	0	0	2164	2646	3699	2785	0	0	0	1198	3475	5904	4821	6679	0	986	0	2149	0	0	18766	17743	0	0	0	0	1063	3765	5182	3385	0	0	0	0	1638	2302	0	0	0	0	2173	0	1913	0	0	0	0	0	Lipid	0.26923078	1.6923077	0.0
12	C25 H44 O6 N2	469.3272	469.32785	-0.06559336	469.32718	0	0	2526	2379	0	0	14299	0	0	0	69223	1011	0	0	1641	0	0	0	0	1954	0	0	1797	0	2397	19432	66109	56504	0	0	1792	0	0	0	0	0	0	8227	0	0	0	0	0	0	0	0	11695	0	1178	0	2491	0	0	0	0	0	0	0	0	0	0	2076	0	0	25262	0	0	6625	132534	12784	36451	0	0	0	1134	0	0	0	0	20767	0	0	0	0	0	0	0	2439	0	6465	0	0	5599	0	4560	0	5188	0	0	0	0	0	1035	0	0	0	0	0	0	0	Lipid	0.24	1.76	0.08
22	C30 H44 O4	469.33124	469.3317	-0.19056198	469.33115	5819	6649	7391	4410	5905	1944	20611	6762	3526	0	1291	6713	0	10069	9599	14202	59718	0	2584	0	0	3603	4768	2474	14584	0	21720	1660	6268	12750	7260	6209	6135	1983	0	10602	5290	14548	58853	0	0	6025	0	0	0	1450	3571	0	6107	8860	5590	7331	7461	0	4960	6954	14504	14174	0	5828	6441	0	1669	1116	12076	7970	6223	68793	0	0	0	2239	4287	9382	28418	7234	0	4680	17462	12212	7424	1287	3820	0	13249	16019	26185	2648	5676	63225	3014	0	10032	5057	4680	0	5463	8920	11165	15950	19509	13762	6087	4058	1219	8475	14594	0	17075	0	Lipid	0.13333334	1.4666667	0.0
14	C24 H44 O5 N4	469.33844	469.33856	0.28830725	469.3386	0	0	0	1427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8153	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10988	0	0	0	0	45080	5889	0	0	0	0	0	0	1046	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.20833333	1.8333334	0.16666667
26	C27 H48 O6	469.35236	469.3519	-0.01932351	469.35236	0	0	0	0	0	0	63307	0	0	0	0	0	0	9572	0	0	0	0	0	0	0	0	0	0	0	0	54287	2353	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5151	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22222222	1.7777778	0.0
28	C27 H48 O6	469.35236	469.35233	-0.21924585	469.35226	0	0	0	0	0	0	37507	0	0	0	1720	0	0	1978	0	0	0	0	0	0	0	0	0	0	0	0	31214	1967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1207	0	1514	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1275	1257	0	0	0	0	0	0	1445	1347	0	845	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22222222	1.7777778	0.0
20	C22 H15 O11 N1	470.07178	470.0724	-0.052202184	470.07178	6543	4316	3736	3802	6811	3408	1230	0	9488	4777	4789	1647	13144	0	0	0	1476	8636	10931	6233	12435	25390	1748	0	1711	0	1124	0	0	0	0	0	1489	0	15685	0	0	1854	1724	7384	13130	2467	0	0	0	5984	14123	0	0	0	7043	4946	7278	0	4757	4271	2507	1828	0	1247	0	9418	14644	11983	3014	12049	3114	0	2501	2001	2387	2080	0	0	0	0	0	0	4346	15743	5646	9273	0	0	7618	4080	2814	2732	1558	2172	0	4039	0	26875	27319	0	4131	4193	6071	9916	6594	2596	0	0	6630	1870	3448	0	1503	12574	Phytochemical	0.5	0.6818182	0.045454547
18	C22 H15 O11 N1	470.07178	470.07245	-0.018554425	470.07178	2351	2505	2795	4639	6480	1897	1467	0	7970	9535	3860	0	15717	2794	0	0	0	5672	6988	3905	13881	21090	2475	1626	0	0	1307	0	0	0	0	0	0	0	22797	0	0	0	0	7695	12963	2215	0	0	0	4492	15265	0	0	0	3897	7786	3271	0	10263	7244	3318	2576	0	1617	0	9653	15446	7784	2852	9449	2845	0	4026	2312	3112	0	0	0	0	0	0	0	1707	16142	0	4394	0	2879	11973	1917	2235	2036	1959	3587	0	0	0	22784	25640	0	3028	3499	5533	9095	8003	2382	0	0	2516	0	0	0	0	9478	Phytochemical	0.5	0.6818182	0.045454547
22	C22 H15 O11 N1	470.07178	470.07245	-0.03911732	470.07178	4515	5075	3745	2460	4585	4347	0	0	4845	11218	2305	0	9094	0	2022	0	0	8832	6030	1844	6033	22074	2819	2252	1248	0	0	0	0	0	0	0	0	0	8118	0	1762	1730	0	4939	8447	0	0	0	0	5277	13479	0	0	1462	3360	1280	4435	0	6089	3830	2355	1876	1288	0	0	3343	9502	8288	0	9937	4055	0	0	0	1982	0	0	0	0	0	294	0	2327	11300	3142	7838	1667	1803	5513	3568	4217	3888	3851	0	0	0	0	23098	23875	0	3198	2267	2516	7087	9274	0	0	0	3449	2196	5675	0	0	11345	Phytochemical	0.5	0.6818182	0.045454547
24	C22 H15 O11 N1	470.07178	470.0724	-0.045241047	470.07178	3885	2573	3553	1921	3351	2935	0	0	5127	4829	1562	0	13787	1463	0	1717	0	5841	7251	1542	5427	14306	2350	1316	0	0	0	0	0	0	0	0	1660	0	9077	0	0	0	1534	4920	3005	0	0	0	0	3000	6218	0	0	0	4272	3378	2250	0	8218	5297	1669	1215	0	0	1122	3779	9674	7285	1936	5738	2519	0	0	0	2040	0	0	0	0	0	0	1474	3331	9895	2339	4761	0	2625	8668	0	3713	2044	2625	0	0	0	2673	18316	20738	0	3731	2729	2864	5309	6292	2082	756	1423	2678	1482	3307	0	0	9835	Phytochemical	0.5	0.6818182	0.045454547
26	C22 H15 O11 N1	470.07178	470.07236	-0.035358556	470.07178	2575	3588	3331	3537	5763	3233	0	0	4383	8301	0	0	8665	0	0	0	0	7145	4431	0	7226	15521	0	0	0	0	0	0	0	0	0	0	1958	0	6530	0	1646	0	0	3948	6496	0	0	0	0	0	10395	0	0	0	5201	3155	2917	0	7548	0	3296	0	0	0	0	3244	8715	6199	0	6226	3426	2827	0	0	0	0	0	0	0	0	0	0	4770	9010	3239	3930	0	2104	0	0	3560	0	0	1730	0	0	0	17620	23836	0	4043	0	0	2938	6159	0	0	0	0	2272	0	0	0	13472	Phytochemical	0.5	0.6818182	0.045454547
10	C19 H19 O13 N1	470.09293	470.09372	0.2114437	470.09302	5781	7528	5418	2514	15731	3531	1651	1254	19308	4423	7009	3490	28889	2452	3063	1932	2594	17268	16942	5367	17063	21165	5284	2861	0	0	0	0	0	0	1637	0	2446	1185	9307	0	2464	1853	2314	3005	11436	6707	0	0	0	5415	22206	0	0	1437	6575	5594	7203	0	19016	23139	8465	0	0	4588	0	5137	37803	20466	5332	14987	5568	2397	0	0	0	1043	0	0	2423	1141	0	1893	3104	5916	3375	5510	0	0	27315	6631	2656	6872	5216	2865	0	0	1736	20655	8855	0	4897	7326	21175	19949	21526	5654	2594	0	0	2783	18318	0	1031	28547	Phytochemical	0.68421054	1.0	0.05263158
22	C19 H19 O13 N1	470.09293	470.0937	0.089283735	470.09296	4203	4199	4358	5142	10686	6063	0	0	11672	2245	2284	1254	20390	0	1309	0	0	11833	9103	2930	11830	8965	3195	0	0	1717	0	0	0	0	0	0	1254	0	0	0	0	1552	0	1491	6531	2869	0	0	341	8432	28924	0	0	0	3234	5394	4654	469	20384	16019	4615	0	0	0	0	6831	16308	13027	2918	12161	4243	0	1437	0	4147	0	0	0	0	0	552	0	1386	10968	2120	9152	0	2984	17800	5194	0	2632	3669	2340	0	0	1628	15527	5039	0	0	5327	7914	16430	9373	0	0	1575	23718	2010	10057	0	0	19358	Phytochemical	0.68421054	1.0	0.05263158
28	C19 H19 O13 N1	470.09293	470.0935	-0.002754195	470.09293	4537	3162	3396	3709	7899	5737	1426	0	11013	6151	3342	1417	17846	2470	0	0	0	11465	8080	5202	9677	7514	2063	0	0	0	0	0	0	0	0	0	0	0	7618	0	1113	1029	0	3631	5214	0	0	0	0	10218	26118	0	0	0	3564	3973	3464	0	9030	5619	1596	0	0	0	0	6469	13652	8041	1935	7064	2850	0	3426	1425	2758	0	0	0	0	0	0	1012	1447	4963	1552	8733	0	0	9962	3283	1223	1143	2854	0	0	1858	0	10009	4035	0	3654	5481	5656	4669	4078	0	0	0	15465	0	7176	0	0	16573	Phytochemical	0.68421054	1.0	0.05263158
14	C19 H19 O13 N1	470.09293	470.09363	-0.010544323	470.09293	15348	13230	11346	14463	36144	16550	0	3821	41056	8323	14544	11021	81444	14132	9761	4592	11419	40171	44850	13495	32620	43001	18454	7946	0	0	0	0	2467	2984	2829	0	7918	3120	7008	2058	5127	8573	6388	9344	20236	21175	0	0	0	19354	71422	343	2065	3575	15536	12519	21048	0	58469	48579	16714	1710	0	13830	0	20553	73266	50255	19534	30946	16270	6565	0	0	5906	2425	2064	0	6154	2646	0	5976	8327	36114	8005	23703	1854	1860	56649	20883	10876	19935	14516	7267	0	8459	7880	61410	20219	0	11009	23530	39975	41270	60369	5723	6482	5418	74402	4710	41967	0	1966	67334	Phytochemical	0.68421054	1.0	0.05263158
18	C19 H19 O13 N1	470.09293	470.09357	0.08530547	470.09296	8544	11232	7908	9623	30454	12229	1836	1692	22954	8102	9207	6419	58809	7772	6732	3306	1815	26322	41255	4725	21424	25633	12442	2741	1633	0	2061	2704	0	1728	2025	0	2552	0	8376	0	1920	4486	0	7539	10510	15437	798	0	0	20864	57710	634	0	1897	11081	9174	16961	267	43914	42408	11335	2070	3059	4967	4080	15706	40409	39062	12349	24680	9677	0	6996	1615	0	2027	0	0	3717	0	378	3138	6212	20482	4699	19476	0	2549	39484	16570	4942	12617	9962	3178	2909	3813	4430	33291	17299	0	12834	12656	28732	31054	29390	5292	2654	2850	27710	0	27949	0	1409	50226	Phytochemical	0.68421054	1.0	0.05263158
12	C19 H19 O13 N1	470.09293	470.0937	0.13133422	470.093	11445	8882	9565	10438	27028	10885	0	1271	35742	7738	10145	5791	46484	6473	4332	0	9249	33421	30702	13811	29166	20622	11723	3391	0	0	2378	0	2261	1583	2365	1871	4938	2435	20277	3393	2807	5815	3909	4046	20730	13714	485	0	0	9126	56484	0	1575	0	12116	7825	21836	0	38762	41321	16185	0	0	0	0	13840	67511	34564	13264	27961	11589	4749	0	2509	2941	1607	1255	0	2894	983	0	3652	8591	17330	7959	17375	1273	2024	39260	11253	6331	8730	12743	5995	0	3251	5233	50980	18885	0	8909	13094	35176	35731	40523	4699	5490	4414	32968	6912	31795	0	2221	55918	Phytochemical	0.68421054	1.0	0.05263158
16	C19 H19 O13 N1	470.09293	470.09366	0.118083276	470.09296	14780	10647	13270	13974	36850	18891	1289	2382	43621	10599	12172	10138	81994	13471	9273	3712	9158	58989	48307	9131	31062	41804	17752	4290	1344	0	1857	2229	2524	2031	0	0	7487	2613	10042	2627	4396	6200	2976	4965	23601	18731	966	0	0	18222	72499	531	1541	3702	16482	13443	23711	0	49194	55758	20360	2572	5132	10117	0	15005	70244	42655	14243	35619	11570	4542	6129	0	3720	2513	1972	2661	4751	1575	0	4972	8742	35226	7084	26323	1452	0	59998	15809	8521	13186	18260	0	0	4095	0	59631	25212	0	12507	20420	28909	42451	41117	7778	3963	4581	32382	0	48173	0	2333	60516	Phytochemical	0.68421054	1.0	0.05263158
26	C19 H19 O13 N1	470.09293	470.09366	-0.03816509	470.0929	2422	2348	4344	3293	8538	3116	0	0	8605	3186	0	0	20709	1993	0	0	0	14460	5401	0	6223	5452	0	0	0	0	0	0	0	0	0	0	0	0	5370	0	0	0	0	0	5230	0	0	0	0	0	34447	0	0	0	3636	2871	4728	0	11392	5892	0	0	0	0	0	5852	9762	7503	0	2857	0	0	0	0	2816	0	0	0	0	0	0	0	2244	0	0	9681	0	0	12697	0	0	0	0	0	0	0	0	6840	0	0	3234	0	6397	2699	4711	0	0	0	14769	0	6173	0	0	19439	Phytochemical	0.68421054	1.0	0.05263158
20	C19 H19 O13 N1	470.09293	470.0937	0.18188892	470.093	6710	5072	6139	5772	18148	11434	1206	0	20653	3340	5045	1848	34768	4846	4324	0	0	26540	20353	3418	9766	13718	5825	2392	0	0	0	0	0	0	0	0	2450	0	4002	0	2797	2201	0	0	6752	6293	636	0	0	10636	47550	0	0	1848	6574	6066	13459	279	29563	26867	9056	0	1908	1504	0	10136	27672	19803	8083	18597	6011	1482	3929	0	6826	0	0	0	0	0	287	3572	6894	15494	4774	14687	0	0	26512	7013	2183	3296	2423	0	0	2555	2579	20051	11962	0	7713	6823	17240	14883	23794	2908	2934	0	32912	3249	16300	0	1361	31504	Phytochemical	0.68421054	1.0	0.05263158
24	C19 H19 O13 N1	470.09293	470.09354	-0.08601959	470.09286	1328	2322	2345	2408	5562	5483	0	0	9496	0	0	1422	16367	2183	1700	0	0	11442	6828	2046	10026	9089	3297	1071	0	0	0	0	0	0	0	0	0	0	2568	0	0	0	0	0	3352	1859	0	0	0	7482	25616	0	0	0	2179	2907	5061	0	9416	6423	3368	0	1200	1464	1146	5306	15340	9114	2233	5697	4099	0	1932	1398	2063	0	0	0	0	0	0	1010	1906	6542	1734	10543	0	0	12314	0	0	1258	1204	0	0	0	0	9018	3143	0	3312	2451	5428	7896	6580	0	1297	0	16142	0	6056	0	0	14218	Phytochemical	0.68421054	1.0	0.05263158
20	C23 H19 O10 N1	470.1082	470.10873	-0.08909957	470.10812	13728	23298	20509	15596	20446	10747	2009	3330	24377	64684	32764	3216	22511	5909	6564	4573	3180	25948	24439	34649	44174	48785	6324	0	4976	24602	3276	23605	4132	2751	0	2231	2539	2577	87229	4450	6704	3868	4199	33855	32691	6986	650	0	0	31440	40919	0	0	2309	13613	14246	15613	0	21026	18916	8497	7467	3221	5506	3761	19213	29704	22031	7710	17948	8577	4921	26102	39766	31065	3634	1497	0	2348	1615	0	3099	11164	46716	6427	28532	5226	24132	18789	7175	11791	9227	9428	5948	13227	14288	8311	58409	69719	0	17043	9246	15675	17500	17294	2773	3409	6252	23134	6946	10321	0	6145	31534	Phytochemical	0.4347826	0.82608694	0.04347826
22	C23 H19 O10 N1	470.1082	470.10867	-0.20618297	470.10806	8317	12333	15293	9986	9587	7648	0	3773	15183	45546	15595	8760	17575	5349	58700	5091	24373	17537	5075	21943	21696	30459	11364	2822	6226	11773	2411	8419	1853	5217	2882	0	4852	1420	54131	4154	3790	73451	21039	21734	24842	6301	0	0	279	22964	31557	0	2156	4731	8773	11417	9468	0	14124	7922	6365	3456	0	4534	4550	18306	24971	14890	6145	10110	6773	21993	19098	22245	26946	1833	1383	0	7369	1886	0	9323	6757	28343	6191	20911	1718	14921	12523	7821	6782	4990	5892	4208	5544	6233	6680	46959	60773	0	11238	9223	10691	11460	11744	3382	12359	3981	21167	8219	10374	0	4272	20019	Phytochemical	0.4347826	0.82608694	0.04347826
18	C23 H19 O10 N1	470.1082	470.10876	-0.02135092	470.10815	16927	14428	21923	15401	19141	7846	2956	2611	21080	83644	42636	3407	32943	7591	2212	5471	2503	21119	23392	47572	59005	64612	6326	3055	4329	38626	3561	21134	0	2269	2425	0	5134	0	92309	1855	4706	1088	4000	41022	40271	5190	765	0	0	32016	45865	0	3472	1426	17583	19238	12991	0	27131	14958	6386	4620	3422	3380	3796	29139	30641	22147	9526	24449	10340	2488	35187	43998	54762	3330	0	0	0	0	0	2064	11436	41211	7314	30685	5714	26117	20957	10943	8946	6584	6259	7285	11210	12118	13321	59656	84835	0	16464	18428	14043	20668	21237	5970	2091	6405	21224	4693	18123	0	2919	30523	Phytochemical	0.4347826	0.82608694	0.04347826
16	C23 H19 O10 N1	470.1082	470.10883	0.013002912	470.1082	16959	17495	17223	12805	19015	10653	1888	0	18396	76734	45026	1561	33751	8945	4086	5325	1674	19674	16361	32694	44747	55491	4329	4648	3148	32975	2212	18006	0	0	1728	0	5013	2054	91478	1820	3160	2037	3015	36149	45549	2744	553	0	0	24369	38586	0	5315	0	16244	14687	10465	0	23744	16197	5112	2643	3771	6286	8020	21536	34276	18007	6262	25430	7121	2872	28912	45269	53413	0	2255	1512	1758	0	0	1756	7718	51517	7273	22756	1982	21005	20245	6896	5166	6561	3500	0	9485	12405	0	53022	61445	0	15896	18212	14694	25536	20492	2983	1092	4827	21331	0	14993	0	2427	24537	Phytochemical	0.4347826	0.82608694	0.04347826
14	C23 H19 O10 N1	470.1082	470.10886	-0.01814231	470.10815	7354	11117	7414	10159	7501	4450	0	1525	15538	52219	28694	1909	16937	3217	3726	0	2257	11750	11751	22701	36532	33263	1892	0	0	23924	2502	22718	0	0	0	0	2326	0	76210	0	2044	0	1679	21524	27740	3164	0	0	0	15664	30466	0	2280	0	8571	8742	5875	0	13372	11045	3825	1765	0	0	0	14514	21790	16511	3514	15674	3343	2694	31759	33859	45845	0	0	0	0	0	0	1585	4436	26221	4154	14188	0	14860	14351	3380	6081	0	3179	0	0	6499	3254	38612	34534	0	6240	10556	10654	14363	9287	4002	1267	0	0	2867	7388	0	2449	14713	Phytochemical	0.4347826	0.82608694	0.04347826
26	C23 H19 O10 N1	470.1082	470.1087	-0.13892317	470.1081	2242	3672	3163	2690	6574	0	0	0	3786	22058	2877	0	0	0	0	0	0	6655	5542	6048	13010	16097	0	0	0	0	0	2072	0	0	0	0	0	0	18871	0	0	13803	0	6254	9643	0	0	0	0	9070	10223	0	0	0	4194	0	0	0	5641	0	0	0	0	0	0	4530	8387	5868	0	4594	0	0	5379	7214	9373	0	0	0	0	0	0	0	2944	9312	0	5193	0	4243	0	0	2454	0	0	2286	1803	2367	0	17087	23238	0	3973	0	3172	2468	0	0	0	0	0	1440	0	0	0	9673	Phytochemical	0.4347826	0.82608694	0.04347826
28	C20 H23 O12 N1	470.1293	470.12985	-0.065961555	470.12927	8861	8972	9209	8388	12325	11949	1797	4654	9284	18688	6275	2900	15437	3571	4556	3087	3048	13313	8823	27351	33595	9655	3917	4438	0	5195	1483	1999	3668	3471	2820	3353	2800	4767	20829	3596	3046	2314	2696	16979	16379	3518	0	0	0	32855	59218	0	4469	6138	8741	8828	8081	0	11105	5291	2826	1989	3494	3340	3594	13995	12690	6306	3526	6982	6262	2819	18078	16734	20666	4922	3181	6830	5970	3060	0	3012	3338	5497	2743	27157	2172	5874	8859	4598	2026	2234	4447	1778	2651	3207	5320	4511	8265	0	9250	10024	8791	5805	3776	4357	2703	4978	32499	3460	7510	0	925	13785	Phytochemical	0.6	1.15	0.05
24	C20 H23 O12 N1	470.1293	470.12988	-0.003277068	470.1293	7522	9477	10648	9116	11437	8262	2030	7283	12298	22171	5678	6017	23288	2703	4218	4963	3139	19918	13741	17525	22917	11059	8732	7179	1971	3341	1420	0	2472	3784	4690	3533	2693	2775	17341	5177	4797	3041	4723	12585	15262	0	0	0	0	46088	77909	0	3541	5703	9260	8870	7059	0	12407	9119	5330	4595	3598	8180	3566	16833	16211	13584	4141	8563	5009	3892	13492	7717	14853	5561	5115	4546	5400	3234	0	4022	5827	7506	5436	40725	3090	5846	14972	5593	3087	4881	5231	2421	1847	5311	5511	10579	16918	0	7148	11508	12511	4671	8315	3453	3146	5843	52365	4844	12822	0	1784	19715	Phytochemical	0.6	1.15	0.05
8	C20 H23 O12 N1	470.1293	470.1301	0.010664563	470.1293	30438	29530	26163	36035	25194	15945	9380	25396	40464	47757	41579	23244	58313	7600	18138	23652	29988	41869	42367	45676	72026	56054	25344	31345	6302	6556	11164	10655	15042	22105	15937	17060	22348	15067	59486	19538	17761	19698	25790	33626	59432	21506	0	0	0	44884	87806	0	21744	21933	31818	27972	21790	0	45107	31288	16873	21273	16656	27904	23972	31739	62936	40645	18343	35609	20686	32846	23606	12749	22817	22873	17385	17031	22539	15919	0	16007	20839	21464	17673	25030	12380	12978	39492	14682	23128	19780	22188	31024	0	12977	31628	47325	49614	0	29291	34985	33188	30456	38094	26377	14384	25880	36550	20290	39130	0	10457	53229	Phytochemical	0.6	1.15	0.05
14	C20 H23 O12 N1	470.1293	470.12997	0.008224956	470.1293	135195	116796	120473	131319	127416	96635	63011	111118	173968	189036	140698	77259	260343	64777	102126	93332	91370	227847	197776	241086	295941	282586	131742	105850	49876	51548	49285	65362	86732	90946	78533	97301	113549	70998	267747	90737	96724	87932	69452	165851	190814	100521	6008	414	396	305586	485100	635	81118	102484	123263	124951	107460	490	246165	140287	73989	85349	151482	94595	109963	190103	235322	170956	67138	148374	98820	65231	158603	80508	105671	72594	79626	95870	77483	72720	276	84596	84165	188659	72963	216200	47104	63575	154934	102487	67934	83205	93994	68208	50653	88878	132116	216707	204527	884	131823	159098	134075	102306	138442	148298	80243	123080	422464	96337	135448	0	48049	204999	Phytochemical	0.6	1.15	0.05
26	C20 H23 O12 N1	470.1293	470.12982	-0.029563297	470.12927	10299	8951	8708	5904	8445	7282	0	0	7490	19158	6139	4319	12060	2311	0	0	0	13207	7558	21216	23892	7025	6779	0	0	0	0	0	0	0	0	0	5523	2823	11803	0	3403	2973	4371	13995	13555	0	0	0	0	35503	71314	0	3511	0	8377	7848	5822	0	12341	8885	3735	2290	2872	3717	0	14448	11575	7644	4571	5687	3905	0	8978	14257	14882	3655	0	0	0	2539	0	0	3473	0	3360	28553	0	5561	8921	0	0	3472	3491	0	0	2332	4487	7541	9944	0	6528	8795	7659	4387	0	0	3559	0	30001	0	7373	0	0	13532	Phytochemical	0.6	1.15	0.05
22	C20 H23 O12 N1	470.1293	470.12988	-0.02027753	470.1293	18527	19443	19338	19589	20728	16623	3545	8349	29299	17242	12412	10587	39435	9323	13107	8474	6444	32730	28162	29927	49770	21738	16247	11087	4554	8293	5154	6747	9514	7972	7671	9033	7938	6753	23880	8179	11172	6962	9153	23527	22477	12130	0	0	498	84367	149991	0	8212	12406	11526	18524	13959	833	33546	21702	7399	7321	9201	9021	7575	30766	25542	23263	9943	21226	13302	2369	24107	15673	20665	9552	7452	11969	7034	8127	612	10072	10828	20115	11255	66090	4580	6906	35592	14935	6714	6841	7670	3929	3162	10982	9970	27015	24465	0	15613	18803	22122	13916	15620	9212	9892	13444	81487	7095	23009	0	7046	34629	Phytochemical	0.6	1.15	0.05
18	C20 H23 O12 N1	470.1293	470.12988	-0.0252272	470.1293	85039	71250	73399	70747	102828	82131	30302	63803	106295	102269	64295	40859	199748	49806	69628	51724	46423	164555	130927	127868	152488	122800	80655	51420	31068	33975	20491	26462	46148	43414	45435	48052	55001	37000	100596	51663	58317	47709	30612	97865	93777	49758	4583	672	677	216550	321055	833	45167	52870	75946	72284	72803	814	154940	100053	45658	36790	55950	36261	51848	100720	129456	98629	50390	85717	62745	30898	82179	55076	88443	47347	44563	51087	44390	39648	909	49874	46543	90853	46097	186918	21912	36775	100357	62605	39433	47084	52163	31409	26335	49991	69697	96830	111613	827	83883	94405	102995	58939	73371	67602	35804	50882	187979	46801	99452	438	23848	140369	Phytochemical	0.6	1.15	0.05
20	C20 H23 O12 N1	470.1293	470.12985	-0.06129779	470.12927	36139	36115	39732	36949	51931	38821	10368	32691	53321	42289	28564	19644	95165	23139	35177	16995	17469	69740	56891	72794	91156	54784	39742	30534	15342	18342	12079	14271	22015	19889	20607	16343	22295	22816	45116	23361	28562	20030	13517	60122	48456	26668	3462	877	594	119708	220701	949	15957	31118	36023	35129	42918	530	75603	42727	26654	17896	23444	23060	23377	56575	60652	54549	23605	39020	26097	11939	43019	31447	48895	26619	20515	22328	22947	18351	616	33311	20500	40629	20933	100065	10380	20204	73829	36227	18151	24480	28820	10362	9587	20674	20660	54126	41871	1596	34489	44361	52817	28396	41256	27924	20817	26953	150028	24337	52756	636	11571	87190	Phytochemical	0.6	1.15	0.05
8	C19 H23 O11 N3	470.14053	470.14136	0.04725875	470.14056	11176	10133	6099	12398	7771	4179	3363	10462	10946	7449	3953	8888	13645	2141	7394	5932	11621	11209	13449	5354	7680	21764	9413	9846	4442	0	4781	0	8409	7319	5826	9402	11541	6932	7871	6826	11256	7533	11525	5224	14114	8862	0	0	0	7717	15948	0	8015	8481	10546	13224	6701	0	14964	7625	4645	9802	6242	11229	9122	8323	23224	11744	6870	10099	9614	17497	0	0	2116	8783	6748	5947	8754	7329	0	6640	8341	3004	7105	5014	2757	0	10477	5460	6691	11397	7803	19374	0	7122	19527	7391	5690	0	12385	12919	5986	7466	4940	12618	7846	6709	0	14970	7937	0	5678	20097	Peptide	0.57894737	1.2105263	0.15789473
10	C19 H23 O11 N3	470.14053	470.14133	0.064891286	470.14056	11823	11493	9613	9698	5774	4252	5551	11361	9400	0	4588	10245	11963	0	8965	7899	12354	11208	14316	7012	8302	23560	12254	11101	2266	0	4427	0	8782	6538	10305	5821	15569	8080	9440	6451	15139	9597	12714	8069	11366	8911	0	0	0	9340	11550	0	10629	10559	13629	12391	6745	0	13517	6013	4744	8956	10040	8778	13379	8528	14064	9555	5652	13193	8739	13746	0	0	0	11254	8251	9122	7755	9474	0	8291	7474	0	6330	4698	3729	2706	7888	5478	7665	8769	8167	20200	5013	11043	20779	7914	6681	0	7382	10068	4434	4575	5133	10888	8658	9469	0	16144	6071	0	4408	13921	Peptide	0.57894737	1.2105263	0.15789473
22	C24 H23 O9 N1	470.14456	470.1451	-0.054573085	470.14453	21207	23948	23500	20560	21678	13253	3394	7385	21835	88275	54785	3376	12829	11947	5723	9259	7634	18545	23506	53451	74033	50921	6767	13714	10592	62011	2931	40907	4211	2617	5093	4466	9789	4674	87927	4379	9024	5184	4789	54045	42201	7647	0	0	0	42868	56435	0	3321	5787	24180	18954	16691	0	17266	15545	7503	7978	8250	6845	6850	40445	24374	18330	7559	14212	11487	3530	46549	79050	84221	7069	5273	0	2419	3736	0	2042	11523	39739	5444	29657	7932	27918	24260	9972	15165	11033	9577	12661	18698	27088	14430	50826	58682	0	19029	24068	11936	15919	14468	4332	4642	16749	28007	10980	14211	0	8562	25747	Phytochemical	0.375	0.9583333	0.041666668
20	C24 H23 O9 N1	470.14456	470.1451	-0.048451837	470.14453	29485	26023	26484	25150	24274	15956	6225	7722	31433	131421	81970	3233	33424	10588	7916	7246	5645	33213	31685	83323	92278	66486	9481	13440	8848	77680	7284	54965	8218	5547	6473	10300	11726	5484	131205	5253	10242	11217	7942	74788	67262	12891	1403	0	0	52238	63528	0	6734	4325	28362	30319	15580	0	28846	17298	11680	10164	9303	9921	7786	42821	37896	21875	10794	27258	18873	7065	77479	109818	119888	5750	3592	2654	5249	4918	0	6325	18174	54696	11874	32322	7808	50404	23766	13676	13640	12830	13739	14889	18555	25951	19860	78074	81975	0	32287	27949	20458	16755	20645	12050	6414	11092	46889	7780	24405	0	7949	35830	Phytochemical	0.375	0.9583333	0.041666668
10	C24 H23 O9 N1	470.14456	470.14523	-0.003412509	470.14456	5063	5013	6548	4429	5191	3281	1790	0	5773	34569	16840	1699	7553	2767	1268	0	1651	3177	5051	22343	26633	17985	2467	3412	0	22072	1032	14107	0	918	0	1508	4026	0	42593	1146	2682	1583	0	17531	18370	1600	0	0	0	9202	12365	0	1621	1465	5680	5735	3122	0	4433	4343	1857	3608	0	2415	0	12859	4232	3363	912	5175	1756	0	24230	33104	36359	0	0	0	0	1121	0	0	6289	8465	1805	8451	2771	7950	3145	2309	4445	2308	2136	4802	3000	5982	2848	15792	17635	0	7092	4956	4600	3954	4468	0	1817	4259	0	2000	2258	0	1751	3268	Phytochemical	0.375	0.9583333	0.041666668
16	C24 H23 O9 N1	470.14456	470.14517	-0.090212315	470.1445	22982	27108	23435	23338	15049	10277	5127	4061	21972	106696	62510	4402	33563	12435	4547	12373	6476	21238	28186	75095	89404	44387	9228	12544	4381	84132	4059	46137	4095	4625	5352	0	5864	4912	140421	6624	9209	3975	7172	56404	57682	8767	443	0	0	31226	44879	0	9315	6503	23107	25948	15564	0	21895	19427	5608	11430	9922	4150	10979	33227	32656	20907	6708	20163	10680	9078	73096	110077	116979	5386	6402	3472	5587	3577	0	4022	17237	51441	11305	35285	9314	39179	20220	9214	13544	10523	7397	0	17221	25240	0	59297	68577	0	23577	24001	12079	16982	16264	11202	3764	11673	25418	0	13141	0	7964	30088	Phytochemical	0.375	0.9583333	0.041666668
26	C24 H23 O9 N1	470.14456	470.14508	-0.17332703	470.14447	5092	4140	4630	3272	2827	3262	0	0	4961	20417	9441	0	4156	1875	0	0	0	0	0	9262	10816	9479	0	0	0	6681	0	5176	0	0	0	0	0	0	11218	0	1550	0	0	5263	8760	0	0	0	0	0	10418	0	0	0	0	3210	0	0	0	0	0	0	0	0	0	6436	6561	2871	0	3511	2007	0	15863	13755	16971	0	0	0	0	0	0	0	2603	5713	0	5668	0	2737	0	0	2643	0	0	1768	0	2427	0	7565	16187	0	2089	0	3006	2231	0	0	0	0	6132	1599	0	0	0	3108	Phytochemical	0.375	0.9583333	0.041666668
18	C24 H23 O9 N1	470.14456	470.14517	-0.023897745	470.14453	37672	28269	32534	29204	27199	17219	8358	10898	25319	150683	79259	6720	29038	18191	10341	13045	12970	20380	38242	101102	95198	56019	13272	14105	6935	95633	5091	57794	6168	5227	8894	6513	14246	0	171884	5515	12041	7273	10899	75750	67151	13186	448	0	0	48012	48751	0	9447	6297	34156	26888	19467	0	33407	19684	8890	10854	5158	12564	11107	50820	44166	21757	12113	26668	15581	11028	94907	126516	136970	8666	4668	2890	6163	7045	0	4775	16958	47639	10928	40528	13037	49579	28330	17732	21144	12964	11609	15177	30949	29239	24272	60302	106857	0	34952	26710	22350	21211	24266	9599	7867	18063	36319	11367	17315	0	11174	32801	Phytochemical	0.375	0.9583333	0.041666668
24	C24 H23 O9 N1	470.14456	470.14508	-0.07795002	470.14453	7955	5275	9232	10421	9403	3732	0	0	6741	37476	15840	0	8679	2263	2431	3042	2842	6126	6251	14597	24408	14354	2877	3838	2171	17132	1691	14827	2125	1742	1972	0	1692	0	43146	0	3590	1892	2283	18814	19596	1777	0	0	0	15788	20530	0	0	0	4493	9499	4715	0	9298	4328	2047	1608	2542	1396	2446	15242	8358	6869	1690	9104	3115	1647	25088	31447	34323	909	0	0	0	0	0	1887	3836	15434	1960	15471	1195	11233	6152	4714	4005	3179	3350	2974	5605	3600	7270	22338	26712	0	4770	6837	6957	5776	3999	2937	1455	0	14431	3760	6649	0	2433	11336	Phytochemical	0.375	0.9583333	0.041666668
14	C24 H23 O9 N1	470.14456	470.14523	0.007500198	470.14456	15778	13220	17741	11764	14477	8108	3129	4026	15441	75005	42843	2296	18583	10106	1879	6520	4659	8669	13936	47097	65063	19511	2446	8750	3836	57784	2531	35274	2632	3468	3303	0	8767	2923	88241	3416	6489	6471	6539	38789	38334	5356	0	0	0	22462	28700	0	3501	4332	13721	12216	8386	0	18355	9747	4354	7928	0	0	0	26160	22937	13576	6409	12797	5219	4683	51793	88149	83586	2270	3244	0	2880	2769	0	3289	8131	30626	7039	18012	4516	22307	16146	5722	9216	5648	3408	12936	10061	11587	7911	33148	49080	0	13291	12867	10638	18089	10000	6558	3119	5005	0	4860	11400	0	3711	15290	Phytochemical	0.375	0.9583333	0.041666668
14	C21 H27 O11 N1	470.16568	470.16635	-0.001639508	470.16568	336060	331525	322831	314193	220273	214537	210960	457166	283255	637721	337617	203774	383439	143466	322825	326885	242670	426791	406704	849613	796286	474938	359516	401150	265242	401115	169086	254964	405459	391978	298349	383918	375922	274416	819210	393594	318642	248957	186881	506004	364973	233272	13587	909	522	657640	644115	529	309553	395042	315032	316485	204124	1477	424519	218392	138738	294186	479457	231635	453783	433267	318059	286734	137187	244377	206817	180690	481936	499257	407713	329594	321968	0	235886	281654	419	248024	214124	300983	223097	411924	230992	272450	282054	220223	192511	192778	213308	203948	231578	287810	396377	264412	414334	2867	323596	415507	243078	159575	202398	393446	223661	483014	622094	261829	247587	681	182929	318714	Phytochemical	0.52380955	1.2857143	0.04761905
24	C21 H27 O11 N1	470.16568	470.16623	-0.03192988	470.16568	23007	18295	23134	19573	23045	20600	4742	19886	21962	45128	17294	14125	38014	10669	14747	21978	9321	34481	29266	53129	59589	14866	16349	23423	11698	25018	5438	6937	15872	12434	13472	14369	12038	15813	33251	18558	20810	11925	9248	30437	19350	10888	2370	0	0	48315	69964	0	16459	20239	18403	18770	17207	0	35070	16076	6830	13522	9722	11380	13319	23589	22439	22055	7120	21834	11491	9462	29697	40906	45332	23066	16340	19133	13411	13452	0	13894	14096	10242	12012	36981	7251	20203	26525	10926	6656	10051	10516	5476	7743	11553	15722	13016	22943	0	23928	27089	18498	12606	15794	9908	12258	18760	42783	9733	17926	0	7315	33160	Phytochemical	0.52380955	1.2857143	0.04761905
26	C21 H27 O11 N1	470.16568	470.16623	-0.06702308	470.16565	10436	11825	11805	10038	9401	11375	1857	10889	9702	28875	5943	4761	13112	2604	7348	6738	0	14063	10816	39922	40845	8927	5689	11831	0	13224	2152	3985	5642	5730	6223	5500	8708	8612	30906	8599	6804	4195	7730	22729	17434	0	0	0	0	27089	38636	0	9660	9005	12096	11028	9122	0	10816	5675	3461	7121	6199	6608	7243	14750	9017	8940	4262	9962	4945	3831	24846	36645	27343	10803	10246	9554	9396	6235	0	6722	6538	5920	7431	18452	2856	12250	11853	0	4567	3599	4411	3869	3636	4238	7501	5511	10440	0	10883	12405	7905	3976	5763	4939	4986	7037	15953	3432	6147	0	5068	19950	Phytochemical	0.52380955	1.2857143	0.04761905
6	C21 H27 O11 N1	470.16568	470.16647	-0.011658081	470.16568	16629	18403	19785	15517	9178	8318	6489	13988	12408	27654	14773	10332	20271	5355	9213	17116	11496	16606	19520	23612	25712	44578	12581	16518	5686	5638	5409	4725	13146	13339	11510	11971	18062	11212	27676	13028	15876	9054	15314	14037	21996	10697	0	0	0	18029	27131	0	13927	16738	16953	14994	9375	0	17896	10440	6642	14485	11123	14154	19139	11028	19073	14785	7107	13836	9326	16573	10387	8719	12663	9979	14202	11183	6349	9632	0	9401	9871	6941	9345	10616	7820	7170	12848	7698	10874	8683	9255	13079	4785	11756	17068	12464	17504	0	15344	14727	8087	13183	14071	15355	6929	19044	14386	13000	8487	0	5908	19980	Phytochemical	0.52380955	1.2857143	0.04761905
28	C21 H27 O11 N1	470.16568	470.16623	-0.095574155	470.16565	8206	7036	8575	8677	8707	7539	2293	8108	7710	27254	7024	2215	13941	2652	4521	7542	4056	13352	11664	36136	36804	6192	8300	11798	4355	22574	1818	5368	6422	5023	7361	5870	5392	8148	29040	7002	7033	4170	5265	16422	12378	5098	0	0	0	29331	31118	0	6756	8480	11253	8899	6831	0	5914	4909	2708	6875	5615	4092	5974	12973	8302	5610	2758	6078	3162	3942	18933	39357	31755	10426	6807	7357	6667	4583	0	5034	4839	4145	5537	15319	6150	11850	8599	5112	5365	3876	5053	2707	6427	6867	6407	3346	9177	0	11486	9960	4215	3041	4037	6653	3196	7908	15895	5224	6201	0	2796	12489	Phytochemical	0.52380955	1.2857143	0.04761905
16	C21 H27 O11 N1	470.16568	470.16635	0.010622432	470.16568	345794	368091	370669	343957	289841	270183	192245	473314	338372	706121	302515	220441	490420	165971	378277	346755	215232	524050	548760	937945	821934	478036	374021	409544	280434	464150	150084	235374	386665	378993	380621	347394	362105	311350	924790	405721	363215	252782	186705	611392	334863	243700	13084	1698	896	854079	730556	1486	362357	418113	372299	358839	253058	2163	486993	277766	175396	277056	394963	186159	432379	438903	388811	310901	141891	294050	241466	165685	496828	631867	461101	396038	355083	451764	244951	0	1137	263778	247332	265422	225654	485123	240258	340605	345147	221000	186521	182890	227406	183700	245685	350328	527909	275633	479533	4797	380760	472070	291247	176783	236599	402384	224185	452140	550433	357711	318333	1622	192880	421689	Phytochemical	0.52380955	1.2857143	0.04761905
10	C21 H27 O11 N1	470.16568	470.16638	-0.03440897	470.16568	102838	91649	100352	92581	59971	46561	73687	124513	68890	172021	99674	74817	100339	33814	81317	105829	80241	94525	108253	199132	198359	143670	88332	129210	52852	98065	59913	53630	112900	105646	90781	95802	98342	87546	200525	106031	197210	143192	83884	139683	140629	62305	2417	0	0	170112	167598	0	101385	114257	111085	95881	55787	434	104920	62042	40453	97170	107128	86405	127519	103071	90377	73683	35630	74387	58213	83765	140760	92161	113318	99817	98098	122112	80024	89966	0	72540	81172	72333	72540	86790	64171	69824	80803	54270	61350	47806	56662	151536	65246	85269	235546	89761	130135	0	105477	115941	52156	46910	57963	114831	62389	136642	143344	88401	63816	0	62089	84564	Phytochemical	0.52380955	1.2857143	0.04761905
12	C21 H27 O11 N1	470.16568	470.16638	0.008566877	470.16568	182462	182613	185507	177074	123763	108258	169557	291735	160672	351221	218045	142048	182766	66234	177720	170663	187884	222315	236504	463561	460368	297948	202434	229573	125205	217971	105229	176241	243125	198847	188547	171570	224314	174677	491170	211968	183063	158620	162826	318324	301359	117197	5515	626	366	386510	411543	424	181971	250758	187964	181613	120168	415	227317	118995	82704	185801	276621	201646	218255	256576	192895	144460	77772	149107	118664	166006	340152	264697	272663	202225	182009	242694	133250	155271	206	160129	155542	170711	147178	243797	145036	166449	167497	122526	125436	93676	116954	162219	110313	185950	232685	195765	198732	1676	191264	267131	162491	89632	110177	225321	139547	254639	342718	163920	139479	0	127754	194338	Phytochemical	0.52380955	1.2857143	0.04761905
8	C20 H27 O10 N3	470.1769	470.17767	-0.080712885	470.17688	25286	22220	20606	27658	9206	11136	14443	23839	14818	18468	7278	14578	20018	3047	23664	29589	17401	15912	20881	22193	17565	38762	22918	32501	12802	1411	11684	2888	23287	20460	21435	27447	29229	19780	25096	20005	33549	21011	23961	22569	16768	13044	0	0	0	26818	18682	0	22188	19240	24162	26677	10678	0	22831	8234	10093	25786	23672	17608	28437	12080	24338	16455	6697	18453	11808	26724	0	3658	5413	24695	21010	18961	14594	19205	0	16607	19960	7627	15164	10422	13640	8332	9465	11542	19222	15493	16202	35413	17228	38342	50606	11286	12939	0	23466	20204	6632	8020	8127	31994	17271	24933	7818	28652	9310	0	16569	18467	Peptide	0.5	1.35	0.15
12	C20 H27 O10 N3	470.1769	470.17752	-0.009719884	470.1769	11553	14732	13101	16030	3837	10417	15040	27294	11387	12994	0	12069	10483	3557	24112	21258	12977	12583	17947	12041	11437	29816	20912	21469	22087	0	10206	0	20437	14772	21095	21460	25649	15050	23186	20312	26628	17746	13493	13116	0	9118	287	0	0	9861	8403	0	21390	18730	14162	10925	9867	0	16762	4101	7829	26534	33685	0	17420	10720	11641	10781	5392	14249	11615	16473	0	5255	0	20937	17212	16552	10704	16140	0	17908	10335	0	12188	9888	13994	6438	2499	9038	19723	10815	9897	28836	21149	28122	45219	5382	7490	0	14688	18224	5498	4714	3040	17513	18305	12830	0	22023	4175	0	17277	10320	Peptide	0.5	1.35	0.15
14	C20 H27 O10 N3	470.1769	470.17755	-0.018462999	470.1769	5940	7847	0	9018	0	5772	7212	15756	3232	0	0	6126	7790	2663	12266	10212	5624	8244	5131	5772	0	11516	10801	12080	12555	0	6101	0	14700	9753	7457	0	14624	9783	10802	11426	12920	8817	11137	6341	0	5337	0	0	0	10273	0	0	12111	7734	7401	0	3449	0	8668	0	0	15830	13429	0	0	0	4119	0	0	6221	7592	8562	0	0	0	10213	7726	11936	5917	4999	0	9679	7797	0	9543	5072	6330	0	3590	0	7047	2573	6402	13629	16564	20487	24058	0	0	0	10181	10112	0	1542	0	14033	6848	14414	0	11234	0	0	6028	0	Peptide	0.5	1.35	0.15
16	C20 H27 O10 N3	470.1769	470.1777	0.32005376	470.17706	124758	136798	116490	117301	68396	82590	60994	147716	135544	331156	126174	69546	131476	50990	125878	109617	39636	143534	157428	250136	215996	159920	134244	135933	105004	91326	68122	90604	139098	120706	148876	119386	126934	117214	385058	121583	145292	98899	61881	168960	93475	65020	1274	0	0	192114	104704	0	146979	139862	136675	124310	86684	0	156540	69150	51584	118820	158085	62222	99094	99804	137411	95822	52146	110575	85960	58869	81008	151724	99242	147652	126471	150041	72118	106022	0	85241	107561	74848	91508	111322	98788	104682	82356	66074	69100	53076	70054	64700	94952	147540	122606	84192	123392	0	123014	115992	71092	59376	53676	120016	73415	135654	92628	101836	76744	0	83815	127136	Peptide	0.5	1.35	0.15
6	C20 H27 O10 N3	470.1769	470.1777	-0.02953204	470.1769	13980	18951	14605	18592	8301	5953	9026	19001	11642	11990	5999	10938	13782	4310	11911	17365	14672	13317	19100	9912	13441	23717	12898	19768	7247	745	7478	2467	14489	14484	18975	17299	22945	15634	17970	13258	23405	13530	19987	13148	14228	9815	0	0	0	13639	15107	0	22718	14518	14941	15189	10584	0	15706	7695	6729	20310	15349	11868	18596	8745	18392	14951	5937	14649	11646	23780	0	2340	0	13134	13005	12042	8024	11509	0	12146	11943	9256	11523	8297	6934	4188	8855	6949	14439	11219	12779	23274	18217	23122	38714	8181	10673	0	14866	15610	3660	6729	7203	19526	12234	18187	0	20838	4520	0	9040	23307	Peptide	0.5	1.35	0.15
10	C20 H27 O10 N3	470.1769	470.17758	-0.059705447	470.17688	23088	25098	21045	22348	10355	13179	18422	31975	13958	17437	9790	17305	16012	4291	27331	23514	17942	17326	24432	19103	15244	37628	24795	32570	21923	0	12982	9774	24930	26010	28489	30618	37370	25589	18372	27436	42953	21952	21297	21499	15540	12352	0	0	0	27802	13321	0	26090	22520	22817	22104	13042	0	22943	7010	8716	37207	35036	14969	26283	15277	20319	15258	9923	16281	11130	23359	0	5104	4479	24751	20213	27778	16730	23955	0	18601	17311	0	15420	12138	16428	8228	7162	9601	20521	10283	15831	31728	26473	37189	57996	11693	12460	0	20184	26636	7316	5783	8175	29955	17466	29225	0	29049	5546	0	19921	21178	Peptide	0.5	1.35	0.15
18	C25 H27 O8 N1	470.18094	470.18152	-0.099104784	470.1809	31713	39909	40262	25651	22863	14438	17153	19270	29137	89840	69022	8537	24546	19282	13336	26009	15433	28667	29607	96163	104007	55789	15763	27082	20374	112115	9594	71404	15874	14005	12825	16553	27891	17670	109609	13782	13436	10534	26152	82989	81713	18796	600	0	0	46245	40708	0	23265	13427	32911	35455	22398	0	26348	23414	11930	31087	14616	17588	23132	60791	34564	22911	13854	24852	22172	16559	99608	145171	159240	12145	10500	11065	14746	14820	0	12234	27505	43239	16553	32279	19244	55858	23044	16288	29162	16962	17424	41342	36912	45465	41727	45397	70744	0	30419	34737	17808	18634	16276	25182	10083	31055	26227	22758	17272	0	17758	24715	Phytochemical	0.32	1.08	0.04
16	C25 H27 O8 N1	470.18094	470.18155	-0.08713467	470.1809	22352	25287	24449	22134	12139	11135	9709	13861	18347	75266	53873	8797	14814	12583	8594	18395	15563	19653	18974	67561	74289	42188	9691	20264	13996	81198	7868	38092	10914	8331	12230	13617	14960	7443	85615	9194	16483	11563	19010	55505	57678	10602	249	0	0	36162	23392	0	13044	7187	18208	25946	13606	0	14462	14297	8007	17488	8262	15165	11352	29937	13682	14068	6545	17022	14228	12648	62601	103689	122198	9905	11584	7088	12514	13285	0	8834	14228	31324	10328	20636	12177	47047	17523	5723	23758	10498	8925	45745	23717	20258	34388	29854	47459	0	28090	23009	11120	9400	15267	14562	7859	15273	18579	16798	10609	0	10953	19091	Phytochemical	0.32	1.08	0.04
8	C25 H27 O8 N1	470.18094	470.18173	0.015274349	470.18094	2114	3875	3467	2635	1903	2155	0	0	2509	12887	8350	888	1994	1512	1641	1657	1250	1307	2809	13054	14763	4237	1483	3262	1768	14145	870	6632	0	833	1084	0	1770	1335	16403	1754	1711	1151	0	8705	7565	0	0	0	0	5809	6608	0	2722	1276	0	4700	1898	0	2436	1079	1311	2304	0	1141	0	4560	1715	1783	0	1976	1302	2027	10284	18136	20439	2243	0	1155	1157	1373	0	1279	2747	4533	1196	1555	0	6146	1151	0	2795	0	1027	3497	0	0	3374	5810	9020	0	3387	2913	1154	1288	0	2886	1140	2232	0	1453	0	0	1952	1650	Phytochemical	0.32	1.08	0.04
22	C25 H27 O8 N1	470.18094	470.1815	-0.082760476	470.1809	27568	29487	22674	22038	25708	18121	6479	14969	27472	86583	81291	7480	15205	15228	11561	14801	9433	26130	25311	72386	81263	42454	14764	22846	12411	107117	5232	73796	10982	10441	10924	12069	17400	11894	105035	8452	17007	6325	8634	64020	66674	11405	0	0	0	53654	44706	0	12516	10959	29934	28302	20653	0	19276	20796	14861	13943	12987	13009	20224	47502	26020	22345	11845	24911	20696	7321	100621	120914	132963	14558	7540	6144	7854	9198	0	7376	19741	36434	13500	27711	14138	48826	21172	19801	18083	17668	17043	22043	24007	24432	24358	41570	51728	0	24134	25783	15346	16933	17326	15953	8258	20445	30172	20211	15303	0	15195	29559	Phytochemical	0.32	1.08	0.04
12	C25 H27 O8 N1	470.18094	470.1816	-0.018634753	470.18094	6421	4782	7554	7628	6886	5819	0	4522	5508	33267	26105	2647	3767	3489	4733	3082	0	3676	9356	31030	39345	15181	3629	7018	4504	40415	2634	25509	2482	1705	4548	3979	7126	2508	45847	3512	6503	2048	4697	25016	20317	4128	0	0	0	15355	16267	0	3915	3148	9556	5387	4309	0	6015	4997	2874	7893	0	9619	0	13711	7218	3836	3753	6064	3682	5934	26942	58837	57063	4157	2507	2366	3025	4054	0	4293	7064	0	3716	9009	2296	16970	6765	3334	7241	2390	4033	13844	7207	5550	9755	15059	16697	0	10377	6436	6910	3406	8016	3576	1435	4243	0	5388	4340	0	3574	5004	Phytochemical	0.32	1.08	0.04
24	C25 H27 O8 N1	470.18094	470.18146	-0.08537919	470.1809	10338	13166	12242	12278	10377	8418	4819	6648	12085	41657	38165	4775	9950	6781	7187	4923	3357	11692	13648	31564	36323	18051	4129	3924	5620	43869	3444	31370	4441	5012	6201	4244	8235	5639	45928	3624	5733	6249	4972	32157	34577	5107	0	0	0	24757	27726	0	5968	4017	13295	12604	8253	0	9906	10652	5199	7685	3717	6410	6544	20092	10374	11512	2814	12948	9283	3621	53325	53622	60713	7458	4419	3196	3639	4196	0	3419	5341	15008	5753	15419	4802	19022	12282	6778	6925	4278	5006	6675	7342	7599	10590	20351	22647	0	11645	16766	6898	6698	4315	3373	2934	9856	15436	8481	6364	0	11202	12459	Phytochemical	0.32	1.08	0.04
26	C25 H27 O8 N1	470.18094	470.1814	-0.12618944	470.18088	3459	5255	3772	6731	4299	2531	0	0	3031	13798	11484	0	3956	2615	0	0	0	0	6034	5174	17295	8903	0	0	0	14105	0	9037	0	0	0	0	4335	0	13810	0	2312	0	2684	11849	13248	0	0	0	0	7390	12607	0	1979	0	7109	4657	0	0	0	0	0	2750	0	0	0	7226	5531	0	0	4238	0	2100	19798	21457	28071	0	0	0	0	0	0	0	2449	8228	0	7750	0	6888	5392	0	0	2991	2626	4886	1803	2344	5322	8758	6699	0	3825	0	0	4854	0	0	0	0	0	4093	0	0	0	8285	Phytochemical	0.32	1.08	0.04
22	C22 H31 O8 N1 S1	470.18433	470.1849	-0.02940113	470.1843	8720	7233	9751	3844	7227	4923	2022	3408	3541	17280	4683	4138	6181	0	3200	4746	3602	4328	3573	20424	15531	9616	3414	5204	5548	9820	2510	6476	2757	2606	3685	0	7620	3789	13805	3782	2735	2389	3791	9547	10769	3490	0	0	0	9911	2678	0	5618	2115	6663	6362	4817	0	4682	4376	2897	6104	8489	4068	7289	12163	4458	3517	3734	6540	2209	6972	8026	11638	9837	2553	0	2179	4454	2012	0	0	2578	2896	1898	6657	4657	0	4917	3883	4743	4484	5594	3621	18828	32977	3937	5029	17675	0	7246	5847	4757	3141	2883	4039	2748	8480	7868	3620	3571	0	2733	4114	Organosulfur	0.36363637	1.4090909	0.045454547
6	C19 H27 O9 N5	470.18814	470.18878	0.014862322	470.18817	6310	5634	5904	5868	1196	4323	1302	7256	3194	7228	0	5328	5729	2792	6251	10327	2445	2692	6366	5392	5734	10957	7046	13301	3912	0	1358	0	10052	7923	9469	0	10511	0	9242	7920	11028	5708	4039	6820	12940	4408	0	0	0	7162	9948	0	9895	5510	10909	5486	2298	0	7031	3886	987	7374	4896	5199	12842	4468	5324	3072	1412	6760	2208	10469	0	0	0	3100	9360	3268	3184	7479	0	2269	2928	0	5791	3931	4219	0	4832	0	2644	4470	1991	11684	0	13467	22056	4526	4674	0	9663	3409	1829	3190	0	3684	2271	6806	0	10462	1385	0	5801	7189	Peptide	0.47368422	1.4210526	0.2631579
2	C19 H27 O9 N5	470.18814	470.18906	-0.03550873	470.18814	2860	3109	2164	2330	1746	0	1695	0	1828	628	1187	3416	1885	888	2323	632	6543	2791	2332	452	889	2231	2382	2234	1118	0	0	1350	2908	1909	3254	2484	3817	4643	1178	2238	4653	2476	7928	0	0	0	0	0	0	411	0	0	2753	1226	3601	3255	1834	0	2334	880	1106	3735	439	999	718	0	1685	2516	0	2788	2098	9255	0	0	0	7273	5001	2362	0	2094	0	1795	2093	12584	2150	0	0	0	1381	1100	2726	2797	2134	8078	25271	13478	7868	3275	0	0	2760	2368	886	823	756	2054	2380	725	0	4090	927	0	1690	3715	Peptide	0.47368422	1.4210526	0.2631579
26	C22 H31 O10 N1	470.2021	470.20264	-0.10258982	470.20203	17579	11417	17220	17664	14425	12125	2487	20297	17076	41724	11299	11855	31108	7333	10998	13035	7127	26397	21102	44249	43836	10896	14949	18298	10018	25808	3572	7055	13263	14391	15262	10202	9628	15198	32236	14989	15502	6990	7210	21877	16742	7944	0	0	0	22479	26464	0	16374	13478	19705	16942	12409	0	16442	9901	6684	9435	7093	8655	18277	13880	20351	17405	0	13447	10755	4576	27896	51647	41735	17868	17010	25335	11754	8388	0	9724	10724	6485	9130	15505	10592	17034	19383	8207	9422	10795	7855	5315	12348	8171	17319	5746	14422	0	16177	19127	7927	8720	8709	12201	10965	14912	12031	8968	9200	0	9996	27114	Lipid	0.45454547	1.4090909	0.045454547
28	C22 H31 O10 N1	470.2021	470.20258	-0.121876806	470.20203	8834	8459	7785	8519	7726	8147	4482	14786	6403	21196	8284	5340	13821	5183	8537	9750	7561	11221	7749	32838	24184	8103	7639	10226	6473	23344	5389	8186	8886	6569	7864	6389	9346	8863	21727	8071	7526	4270	6101	12093	12102	7464	1562	1528	0	15111	13632	1433	9726	8962	9384	9549	6192	0	8070	6128	5562	8323	5601	5194	8371	7009	8058	5892	3202	6847	6674	6516	16750	35519	24018	9782	8225	9478	5392	5813	0	5962	7513	2893	6266	9119	6242	10536	6591	4893	6904	2981	5604	3824	5145	6359	8386	2659	5819	1344	8531	9253	4287	4781	5536	6666	5163	8656	8925	6440	3673	1921	4847	11238	Lipid	0.45454547	1.4090909	0.045454547
8	C22 H31 O10 N1	470.2021	470.2028	-0.10235356	470.20203	28547	28127	23699	29856	13085	13962	17246	36122	19550	46646	19783	20673	29102	9015	26113	32818	23132	19269	32486	46090	43477	40882	22489	37969	19993	16544	18849	15973	34393	28738	25215	36685	30892	24247	52315	35193	32851	18867	25801	36821	28136	16801	0	0	0	41135	31336	0	35459	30795	29065	31535	13090	0	26053	16440	11244	31543	29502	22786	38178	23227	25930	17546	7695	17442	17222	21324	17675	23395	25143	29630	31391	32067	18416	33016	0	21485	24947	16734	15950	15339	21335	17845	18460	10921	21275	12045	13996	25984	21955	52021	41321	19680	32330	0	29605	34013	12484	13941	15721	35628	17570	43962	18316	24549	13156	0	15495	25799	Lipid	0.45454547	1.4090909	0.045454547
6	C21 H31 O9 N3	470.21332	470.21408	-0.013811891	470.2133	7253	10252	6683	9289	4120	3020	5830	11277	4938	4860	2324	4698	7073	1297	10785	13490	5164	6356	7011	9601	4877	13119	6882	11462	8734	492	4304	2679	12523	8022	11941	10062	16491	9879	9666	11458	13463	8314	7421	5170	3743	4845	0	0	0	6074	3767	0	12743	10212	11187	8531	4754	0	7904	2452	3689	14816	8426	3221	11684	2883	6527	5197	1550	5163	5939	7121	0	2288	0	8817	8352	6925	3627	8140	0	7841	5588	3236	4542	3526	4830	2152	2531	3327	9159	4977	6069	12561	17712	25035	22523	3150	4805	0	12191	7941	1797	1963	2223	12015	5984	15767	0	12832	2187	0	5498	9349	Peptide	0.42857143	1.4761904	0.14285715
10	C21 H31 O9 N3	470.21332	470.21402	0.025642833	470.21332	8502	7836	9729	8370	2837	3112	7871	11990	4554	8067	2559	3814	7437	0	11962	10310	5446	4731	8656	9741	5945	14863	10607	12369	13696	0	5897	0	9709	10541	11155	13798	17443	8395	6265	14081	16439	8888	5837	8545	3753	2765	0	0	0	9006	4094	0	11675	10788	10154	7679	3859	0	7090	2038	3112	13420	11203	3020	14573	4016	3320	2777	2553	4478	4849	7388	0	2235	0	11619	8681	10222	6262	8030	0	7393	5755	0	4796	3236	5969	4013	1630	2842	10846	5128	5424	10868	18619	27980	31028	4840	6953	0	7539	8264	2618	2290	1071	12585	6868	13407	0	13360	2286	0	8116	5232	Peptide	0.42857143	1.4761904	0.14285715
16	C26 H31 O7 N1	470.21732	470.2179	-0.19921815	470.21722	13549	16523	14504	10906	5796	4587	8189	10074	4974	27162	29003	6827	3378	4749	7387	14837	18363	7005	5596	35084	42507	16430	5932	14496	10160	41006	9294	22576	9243	7933	11241	5704	11390	4379	34769	9179	14960	6389	17368	26699	26949	5437	0	0	0	11246	15603	0	11456	9719	12582	11887	5720	0	4175	1984	5499	14248	3656	11776	16012	10908	5360	2275	2951	5952	9167	15470	35964	57850	60767	9821	6497	7903	10518	10260	0	5387	9479	10685	8484	8755	4942	20209	6055	3213	19023	7482	7917	40834	21174	13319	0	9025	20537	0	17030	17184	7013	5718	4315	10908	5254	13647	8069	0	3426	0	15084	2029	Phytochemical	0.26923078	1.1923077	0.038461536
10	C26 H31 O7 N1	470.21732	470.21805	-0.013972861	470.21732	5526	4809	2983	3386	1087	3091	2200	3111	2124	14097	10036	1485	1513	0	2228	4469	2104	1577	0	25218	24263	4454	2344	3649	2232	23171	1009	10497	2045	1439	2305	0	7047	1606	19687	3368	3376	1553	3005	13176	6954	2170	0	0	0	7056	7576	0	4836	2321	4404	4102	1598	0	2070	0	1000	5417	0	0	0	4353	0	1725	935	0	0	2787	18339	28531	27960	1908	2627	0	1996	1474	0	1416	2786	0	3071	1245	0	7721	1343	709	1920	0	1768	7937	0	3394	5662	4455	8507	0	3581	5343	0	806	856	5321	0	0	0	1984	1285	0	2573	0	Phytochemical	0.26923078	1.1923077	0.038461536
24	C26 H31 O7 N1	470.21732	470.21783	-0.11329727	470.2173	26946	26662	21306	22166	19842	13697	6427	15264	18265	47520	53987	9634	18377	13018	12089	18450	13600	20729	18941	67156	54118	25115	16377	24195	15337	105608	4413	47728	16616	12728	18270	16435	20880	19687	47538	12232	22701	10240	13693	49086	46742	14151	0	0	0	31330	31072	0	20643	16610	24654	21081	21307	0	17403	13313	10337	17602	16314	13484	20437	31332	18065	15031	5782	21244	24530	13771	92052	83895	105511	19190	16737	9561	7604	14279	0	9394	20991	21502	12956	23183	13309	38021	20798	9768	21664	18238	14371	25248	22060	27648	33107	24832	25377	0	24716	23669	14749	16723	14503	22344	8417	23233	23135	18421	13613	0	13055	15695	Phytochemical	0.26923078	1.1923077	0.038461536
26	C26 H31 O7 N1	470.21732	470.21777	-0.14628296	470.21725	7394	9800	9429	8613	6134	6119	3802	0	5842	16053	15046	0	4971	2889	0	0	0	5695	8296	13472	12971	8711	6948	11553	12214	31743	2474	16978	0	0	5475	0	7730	5598	16291	0	8067	4204	4302	15049	18033	0	0	0	0	10891	13847	0	5810	0	7498	8346	4541	0	4793	0	3289	8305	4527	4531	12327	9250	4061	4804	3282	2301	9553	3895	34493	31760	47376	5632	4204	0	0	3526	0	0	8162	5900	10379	6130	3079	12754	10061	0	12335	6123	5784	9815	5724	7478	14957	9163	5216	0	7794	7110	3595	4498	6151	7431	0	7316	9004	11178	5925	0	11400	5277	Phytochemical	0.26923078	1.1923077	0.038461536
12	C26 H31 O7 N1	470.21732	470.218	-0.025322087	470.21732	0	9452	7689	6380	5191	3431	3093	3398	2396	19819	13355	3841	0	2036	2723	4649	6811	1283	2812	27834	30103	7380	4097	6614	3519	32807	3180	17822	3032	1996	4117	4974	4967	3654	19909	2491	7903	1862	3591	14001	8182	2463	0	0	0	6138	7293	0	3574	3062	6356	8082	3981	0	2226	1712	1617	6437	0	0	0	5726	2486	3347	936	1359	3454	8175	22147	33969	42996	2776	4075	2857	4612	2092	0	3441	4149	0	3175	1547	978	8539	1641	1571	5735	2440	2345	9324	4409	2078	10329	7145	11420	0	8565	9601	1602	2347	1808	4334	2456	3018	0	5493	4954	0	4363	0	Phytochemical	0.26923078	1.1923077	0.038461536
2	C20 H31 O8 N5	470.22455	470.22507	-0.13611114	470.2245	4810	7200	6128	5650	0	0	3634	7270	2328	862	1912	0	4812	0	5386	1390	4334	8368	5526	0	391	2726	3890	0	1432	0	0	10092	5884	4282	7952	5724	6842	10116	1370	6158	9614	3630	0	0	0	0	0	0	0	928	698	0	5182	5656	3546	3988	2328	0	3462	2162	1810	5506	882	0	2802	0	2876	3542	0	11460	2976	6460	0	0	0	10154	6964	6794	0	4664	0	3740	3144	68180	2810	0	1814	0	2226	2062	5288	3536	4942	11006	74120	27488	10192	5740	0	0	5104	5144	1034	1442	1754	3854	4996	1992	596	5120	2164	0	4268	5902	Peptide	0.4	1.55	0.25
10	C23 H35 O9 N1	470.23846	470.2391	-0.10893434	470.2384	13373	14190	14223	16612	4213	5475	14446	30822	6966	18314	4792	10532	11311	2443	14665	18296	12619	9683	12681	22054	18761	19662	11622	21346	17103	10526	8081	7609	21748	19836	20289	19847	23219	15760	22077	20479	20930	12944	12644	16615	7715	8655	0	0	0	22317	9416	0	24922	17639	13563	13522	6506	0	10570	8176	4067	24904	6946	4286	15935	5954	9163	7457	2311	7894	7388	9880	8085	12628	8849	16444	17739	23030	14550	19978	0	11174	9926	6926	11817	7542	12004	7034	6331	5866	11480	4042	5879	11856	19623	17672	28406	8248	14853	0	15331	16956	5557	6030	6934	19744	10526	23384	0	17521	3640	0	12638	8813	Lipid	0.39130434	1.5217391	0.04347826
28	C23 H35 O9 N1	470.23846	470.23895	-0.16977194	470.23837	4797	3530	4742	4556	3683	2304	2130	4915	3134	13184	3684	2704	8557	3056	3371	2684	0	6661	6885	12352	11037	2744	2345	4366	2952	8678	3190	3700	4170	2664	4230	3832	5021	5677	11726	3926	4982	1805	1918	4887	3008	0	0	0	0	3563	2298	0	2918	4186	4637	3825	2383	0	4530	4536	1227	4915	3074	1379	4000	2632	9045	1626	2547	5970	2115	1487	8412	21372	11967	3101	5149	5708	3287	2156	0	1338	3231	0	1833	1548	3238	3019	5719	3455	2660	1913	2695	3065	5651	5286	5294	1628	4547	0	4085	3412	0	3079	2468	5311	2425	4628	2844	3908	1992	0	2508	8080	Lipid	0.39130434	1.5217391	0.04347826
26	C23 H35 O9 N1	470.23846	470.23898	-0.12714739	470.2384	18132	11567	18960	13670	19029	8319	3790	14362	19041	34579	9821	5541	36005	8791	11126	17747	8684	24291	27839	32066	33459	13377	12476	18268	7492	15167	2793	9598	13818	10424	12262	11272	12767	13612	32147	10516	16149	10476	6429	18432	10973	0	0	0	0	13830	10228	0	14471	12039	19942	12542	12362	0	27521	13750	6242	13820	9142	6428	16565	8551	30995	16844	6648	17870	9491	5604	20070	46581	36106	13722	10691	13667	9698	12661	0	10196	13637	0	11411	7351	10409	10173	32514	12475	11947	9013	8603	6798	15148	10350	14253	3873	15666	0	14851	19063	8836	20242	18288	15429	6787	16797	8014	9492	10784	0	9430	30085	Lipid	0.39130434	1.5217391	0.04347826
12	C23 H35 O9 N1	470.23846	470.23914	-0.081729576	470.23843	16859	20162	21770	15641	13665	12576	21448	47603	15235	19707	9268	22097	20181	6337	26068	25373	28686	13234	19856	37421	33599	33111	24309	30534	26487	21712	13102	0	37049	29929	33171	28404	29880	21587	30681	33565	22195	21828	27036	18625	17396	13810	0	0	0	27221	19815	0	29327	27326	20299	18322	10610	0	18659	11712	9317	34632	17212	22024	21757	11364	16660	11032	7912	17075	9459	21617	0	23765	17413	20917	25165	36064	18378	23325	0	24720	27568	16357	24894	18452	18831	9181	18295	13800	23126	11430	12271	25504	27822	26199	43036	9344	12833	0	18536	23527	12965	6813	15418	27287	16583	28502	0	27676	13348	0	22417	20247	Lipid	0.39130434	1.5217391	0.04347826
26	C27 H35 O6 N1	470.25372	470.25427	-0.10559952	470.25366	14641	8473	13806	11334	6921	6224	4386	10551	8290	17569	25630	6273	6545	6586	0	16985	6976	6785	9046	31518	28174	10836	4800	14925	12011	58436	5284	27981	13815	14879	11501	14045	17738	9822	14606	17710	17415	6390	9516	23872	21501	6560	0	0	0	17091	9491	0	13131	12747	13940	12226	9966	0	7782	8131	6266	13270	9085	6599	18431	14023	5562	5090	0	8643	11391	10931	59547	35167	57343	10490	9262	7676	7129	10955	0	7830	11515	10668	6923	9901	9190	18516	10196	0	18369	8029	8773	17785	11006	16870	25636	9625	7154	0	12897	12691	8553	9916	10819	12038	5706	13079	8720	17368	11287	0	10989	5982	Phytochemical	0.22222222	1.2962962	0.037037037
20	C27 H35 O6 N1	470.25372	470.25424	-0.13330022	470.25366	12325	14636	13258	14248	5845	5003	9574	17754	5071	11994	20601	7831	3068	5596	7942	19993	19587	2684	5771	23476	21533	10234	7761	12415	8953	42250	8654	18104	13918	13626	10684	12147	16789	10536	21380	12348	12594	9171	21224	20658	32221	8871	0	0	0	6849	10220	0	17218	14226	10385	11858	4686	0	4072	2254	4715	14016	5164	11989	12927	9922	4499	2471	6410	3656	9209	22745	27424	33090	50645	8824	10272	7422	16199	10839	0	7805	14495	12841	9157	4150	9652	19097	4322	6146	11792	8487	8740	31939	18444	13053	24790	9184	13505	0	16820	9313	3534	3927	4223	17282	11542	16724	5854	12253	6604	0	14995	2086	Phytochemical	0.22222222	1.2962962	0.037037037
18	C27 H35 O6 N1	470.25372	470.25427	-0.11710132	470.25366	7015	6120	3242	7698	2284	2013	3916	2652	1614	8202	8572	4450	1903	1664	3032	7650	7192	0	4832	12207	6489	0	3467	4751	6572	14777	4745	8946	4448	2922	4860	3036	5839	0	5468	3097	3134	2810	8510	7960	8665	3970	0	0	0	2303	3547	0	4174	3297	5790	2583	2104	0	2720	1408	1434	7688	2590	5179	7676	3376	0	0	2143	0	1912	14553	14827	16706	22721	3693	2287	6180	8540	0	0	3983	7683	4344	4580	3234	3017	6687	2527	1474	5822	1444	1825	11856	8086	6206	5980	5686	7670	0	2352	2605	1222	0	0	5720	4291	5757	1911	5481	1501	0	4311	0	Phytochemical	0.22222222	1.2962962	0.037037037
16	C20 H39 O11 N1	470.25958	470.26007	0.006493313	470.25958	5750	4126	7006	8140	0	2008	2496	6650	0	10242	13344	3698	0	1450	1328	15624	9182	0	0	17718	24558	0	4584	7150	2582	28838	5399	16210	5308	8741	10068	0	8790	2966	12837	5002	13314	3138	12803	16492	10920	2528	938	1492	1452	4246	5150	1444	4382	4600	0	4604	0	1433	4688	1888	1822	4056	0	4893	0	0	0	0	1014	0	2938	13052	26438	32942	35230	6668	6008	4614	4248	6070	1215	7560	9320	0	0	1105	2951	8318	2968	0	6626	3372	2384	0	10082	0	0	0	5678	1219	9192	7274	0	1405	1349	10137	5373	4512	3312	0	0	1430	8426	0	Lipid	0.55	1.95	0.05
4	C20 H39 O11 N1	470.25958	470.2607	0.17626554	470.25967	0	688	0	0	3744	771	0	0	0	0	0	0	1192	5481	329	766	0	0	373	0	0	0	0	746	293	0	0	0	0	0	0	0	0	0	0	0	0	319	0	0	0	0	0	0	0	0	0	0	0	0	503	635	1144	0	0	487	2333	849	0	0	983	0	0	0	0	0	1889	0	0	0	0	0	0	0	0	0	0	196	526	39002	276	0	0	0	372	0	710	0	0	2756	22478	5431	2183	1398	0	0	750	0	0	0	0	0	0	0	0	0	1544	0	1038	0	Lipid	0.55	1.95	0.05
2	C21 H35 O7 N5	470.26093	470.262	0.15297428	470.261	0	0	0	0	0	0	0	0	0	0	0	0	0	0	366	0	0	0	0	0	0	0	0	0	0	0	0	1809	0	0	0	0	699	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	453	24866	0	0	0	0	0	0	0	0	0	0	7623	3122	0	751	0	0	0	0	0	0	0	0	0	213	0	889	0	0	0	0	Peptide	0.33333334	1.6666666	0.23809524
6	C21 H35 O7 N5	470.26093	470.26172	-0.09231116	470.2609	686	687	0	982	1007	930	0	0	825	0	0	0	826	1353	0	0	0	0	0	0	0	0	0	0	569	0	0	3673	0	0	0	0	0	0	0	0	0	0	0	0	0	534	0	0	0	0	0	0	0	0	0	0	0	0	0	0	597	0	0	0	0	0	1074	0	0	0	997	0	0	0	0	0	0	0	0	0	0	0	0	32714	0	0	0	0	2607	0	0	0	0	0	23041	6213	0	1766	0	0	0	0	0	0	0	0	0	0	0	0	615	0	0	1498	Peptide	0.33333334	1.6666666	0.23809524
10	C24 H39 O8 N1	470.27484	470.2754	-0.0784909	470.2748	2061	2524	1688	2755	1001	0	1619	6798	0	1711	0	1679	0	0	3420	2540	2421	0	1071	1734	0	3050	2047	1680	3975	0	2520	0	4834	4397	5643	2795	8466	2492	1977	4527	4006	1884	3390	3254	0	0	0	0	0	0	0	0	7704	4315	1883	2621	0	0	0	0	0	5097	0	0	0	0	0	0	1390	1410	0	3164	0	0	0	3489	2682	8110	2650	2607	0	1870	4062	0	0	0	0	1183	0	0	23132	0	1085	11127	8558	3610	5531	0	1797	0	4703	2170	0	0	0	5158	1964	4702	0	3142	704	0	5257	0	Lipid	0.33333334	1.625	0.041666668
8	C24 H39 O8 N1	470.27484	470.2755	-0.004029048	470.27484	2940	3365	1431	1491	0	0	1679	2339	0	0	0	1451	0	0	1906	3879	1004	0	1179	1401	3179	2369	1335	2737	3601	0	1376	0	3731	1887	3148	1796	2438	2189	2191	3005	4149	1358	1865	2116	0	659	0	0	0	0	0	0	3236	3637	2080	1615	567	0	0	0	0	5323	0	0	4990	0	0	0	0	0	642	1937	0	0	0	1869	1589	2548	1451	2400	0	1753	2481	3476	696	0	0	0	0	0	21430	0	972	9152	0	7335	4704	0	0	0	1876	1431	0	592	0	4183	1067	1929	0	1974	0	0	4313	0	Lipid	0.33333334	1.625	0.041666668
16	C24 H39 O8 N1	470.27484	470.27542	-0.050774615	470.2748	7151	8122	5312	5106	6818	1689	10467	13174	5858	4686	0	8738	2996	1962	10349	17094	14476	4259	7971	6065	2778	3056	7842	13706	7418	2583	10391	3272	12847	12107	9053	10920	15834	12049	2099	14253	8783	10252	17793	3272	2731	6016	0	0	0	7541	3573	0	12231	9663	5344	6512	3030	0	3783	3717	1364	12243	4317	5738	12323	0	3234	3918	2227	4271	5344	12365	2720	1922	3755	9352	8327	16048	20109	10763	0	5637	8623	4241	6723	3012	4347	3160	8387	4978	10074	2010	5676	0	11468	7249	0	0	3542	0	5302	9407	4734	3176	5050	12003	5395	11855	0	0	0	0	9242	0	Lipid	0.33333334	1.625	0.041666668
18	C24 H39 O8 N1	470.27484	470.2754	-0.15176564	470.27478	26750	22373	20471	11515	14615	12445	25953	34290	14751	10487	8289	20931	24763	10692	27357	40020	38182	21672	30052	16795	19021	11849	29123	39110	19065	16391	27889	8496	42414	29410	24653	42610	30555	22816	11299	45058	36753	21004	29779	13664	12203	20173	627	0	0	15463	12602	0	39400	36517	20379	25583	14200	0	25225	24759	12573	36836	14320	14948	31037	10704	14416	16997	13034	13441	19152	35596	12285	11324	11043	25075	23624	38040	36800	33687	0	20715	28125	12745	20113	8530	20698	13841	23505	22010	29592	11899	21511	25628	36954	22537	41373	6367	21937	0	21825	31404	9841	20249	25050	41723	20825	30552	7707	25640	16307	0	22039	12324	Lipid	0.33333334	1.625	0.041666668
26	C28 H39 O5 N1	470.2901	470.29053	-0.19484426	470.29	5461	3932	4936	4707	6785	3513	1967	6514	2839	2842	14942	4104	0	0	0	11362	6549	0	6777	7142	5554	2668	0	5787	8022	27649	3830	16122	6573	7973	7184	4031	10771	6984	4137	8389	6180	2913	10670	6321	9113	6500	0	0	0	0	0	0	7659	0	6031	6724	4567	0	4246	0	0	8139	3331	5468	6414	4935	0	0	2431	3792	5855	7431	25336	12800	13669	5705	6600	7370	6734	12485	0	4359	6957	8054	4118	3729	5538	8267	0	0	13249	0	4662	9596	5257	7863	9031	4667	0	0	5189	0	3050	6165	5026	11301	4246	8114	0	8167	6204	0	7249	1774	Lipid	0.17857143	1.3928572	0.035714287
20	C28 H39 O5 N1	470.2901	470.29077	-0.026263833	470.2901	0	0	0	0	0	0	0	0	0	0	4971	46251	0	0	2435	1726	1857	0	0	0	0	0	0	0	0	1673	0	0	3214	7494	8645	0	0	0	0	0	0	6971	2412	0	0	0	0	0	0	0	0	0	1572	1347	0	0	0	0	0	0	0	2252	0	0	0	0	0	0	0	0	0	2468	1528	0	0	0	0	0	0	7676	0	53053	0	0	0	0	0	0	0	0	0	1210	0	0	0	0	0	0	0	0	2052	0	0	0	0	0	49689	0	0	0	0	0	0	0	Lipid	0.17857143	1.3928572	0.035714287
22	C21 H43 O10 N1	470.29596	470.29642	-0.36764002	470.2958	0	4170	3084	0	5782	6750	0	0	0	0	0	0	0	10342	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34873	0	0	547	0	0	0	0	0	2941	5175	17642	2659	11436	0	29933	0	0	0	0	0	0	23052	74346	45375	116455	0	0	0	0	0	0	0	0	0	490	0	0	0	0	0	0	0	7411	13813	0	5470	3706	0	0	0	0	0	0	0	2515	0	0	0	0	0	0	0	8823	0	3304	0	0	0	Lipid	0.47619048	2.047619	0.04761905
12	C22 H39 O6 N5	470.2973	470.29764	-0.023150781	470.2973	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14671	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	54310	0	0	0	0	0	0	0	0	0	0	80957	16685	0	7780	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.7727273	0.22727273
10	C22 H39 O6 N5	470.2973	470.298	0.04981691	470.29733	2766	2337	0	1589	0	0	0	0	0	0	1256	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25365	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2276	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	212779	0	0	0	0	0	0	0	0	0	0	303490	70383	0	14738	0	0	1818	2213	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.7727273	0.22727273
8	C22 H39 O6 N5	470.2973	470.298	-0.1860802	470.2972	1432	0	1183	3197	0	2556	0	0	0	0	854	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1596	2170	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	232297	0	0	0	0	0	0	0	0	0	0	293382	82706	0	16692	1572	0	2093	1266	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.7727273	0.22727273
4	C22 H39 O6 N5	470.2973	470.29803	0.038946375	470.29733	0	0	0	0	1286	653	0	0	0	0	0	0	0	2681	0	0	0	0	0	0	0	0	0	0	0	0	0	3554	0	0	0	0	0	0	0	0	0	0	0	0	0	996	0	0	0	0	0	0	0	0	0	0	1245	0	0	0	2618	0	0	0	0	0	0	0	0	608	2439	0	0	0	0	0	0	0	0	0	0	0	0	35137	0	0	0	0	0	0	0	0	0	0	9562	1831	0	822	0	0	0	0	0	0	0	0	0	0	0	0	657	0	0	0	Peptide	0.27272728	1.7727273	0.22727273
6	C22 H39 O6 N5	470.2973	470.29797	-0.031129396	470.2973	4399	3947	5554	4536	656	8317	0	0	0	0	1285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	80435	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3429	5314	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1080730	0	0	0	0	0	0	0	0	0	0	136373	39562	0	41256	1305	0	4140	5043	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.7727273	0.22727273
26	C25 H43 O7 N1	470.31122	470.3117	-0.15992308	470.31116	6797	7533	8113	9844	11168	6523	40881	7116	8550	3682	4307	3086	5137	12327	0	11349	5761	9978	22126	7963	0	5965	0	7033	10314	0	31381	13635	12559	14694	7201	12596	13483	9663	7771	16399	15592	7629	8036	5151	3307	8315	0	0	0	0	0	0	11139	0	9397	9649	11119	0	16784	7550	4423	11345	15553	0	9043	7145	11106	8772	6607	14382	23639	7456	0	4557	2288	8347	12695	8422	7050	10300	0	3292	5214	5405	0	3913	19540	6495	6039	8852	9714	8017	7831	3156	26734	29538	9158	2018	0	0	10368	8716	6875	11415	12540	13283	4300	6661	15921	6871	7692	0	6803	7664	Lipid	0.28	1.72	0.04
24	C25 H43 O7 N1	470.31122	470.3117	-0.1589688	470.31116	14080	12220	11745	9663	13021	8981	80595	10164	9788	5644	4155	4729	15496	17992	9784	12937	10412	13911	26232	8276	8671	3373	7491	6480	11834	9068	54444	7666	18758	14749	9691	16904	19021	11012	4563	17853	17627	9598	9913	2384	2110	11217	0	0	0	7523	1549	0	19760	12177	7832	11695	9778	0	13993	9017	10203	17754	9667	6803	13352	3960	15021	8703	12450	21785	24106	10528	1540	2402	5203	11408	16391	19874	10112	13893	0	6962	6788	7933	4665	4421	27596	22101	12830	11917	15936	7690	10368	9898	24406	20959	15522	1997	6774	0	11688	17523	5847	11115	12575	20850	6405	10109	9090	8767	9952	0	8090	10332	Lipid	0.28	1.72	0.04
22	C25 H43 O7 N1	470.31122	470.31177	-0.13257304	470.31116	4878	5575	4500	0	3781	2311	26543	4160	2066	2905	1573	3043	2055	5391	4517	6919	9610	3449	5500	0	0	0	2736	3469	3818	2387	21883	2549	6034	4764	2738	0	6010	5900	0	5573	3492	3658	9391	0	1395	3840	0	0	0	1473	1546	0	4623	4002	2589	5983	2472	0	6651	2207	2617	8383	1304	1782	4845	1243	2673	1333	3243	3566	3759	7245	0	0	0	3283	3395	8318	8369	4748	0	2656	4116	1712	1563	1131	15956	12323	4689	4484	7704	3155	4764	4523	12453	7022	4130	0	0	0	4820	4676	1543	2670	3331	7360	2854	2314	1568	5389	3663	0	2505	4190	Lipid	0.28	1.72	0.04
24	C22 H47 O9 N1	470.33237	470.33304	-0.39035583	470.33218	0	0	0	0	0	0	0	0	0	29433	8045	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1838	0	0	0	0	0	0	0	0	2657	0	0	0	0	3891	5329	0	0	0	0	0	6389	0	0	0	0	0	0	0	0	0	0	0	20039	0	1730	17105	1891	0	0	1709	0	0	1183	0	0	0	0	0	0	0	10777	0	0	0	1207	1483	0	1408	0	0	0	0	0	4184	0	0	0	0	0	0	1988	0	0	0	0	0	0	0	166802	0	0	0	0	0	Lipid	0.4090909	2.1363637	0.045454547
22	C22 H47 O9 N1	470.33237	470.33282	-0.16317242	470.33228	3848	4990	4797	6660	3810	5795	0	0	5833	4457	1414	0	22437	16371	0	0	0	0	0	0	0	0	0	0	5272	0	0	9291	0	0	0	0	0	0	0	0	0	0	0	1557	0	5295	7147	0	407	0	0	0	0	0	5173	5199	3980	3200	6046	0	16471	0	1246	0	0	0	4351	4199	52198	187379	389703	0	0	2607	0	0	0	0	0	0	0	0	0	3884	0	15954	0	0	0	13403	0	3141	0	0	10765	11920	0	0	0	0	5478	5413	3121	0	2472	0	0	0	15700	0	1319	0	0	0	Lipid	0.4090909	2.1363637	0.045454547
18	C26 H47 O6 N1	470.34763	470.34814	0.061647862	470.34766	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6907	0	0	0	0	0	0	0	3891	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2321	20952	8552	0	0	0	0	0	0	0	0	0	0	1387	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23076923	1.8076923	0.038461536
26	C26 H47 O6 N1	470.34763	470.3474	-0.005832695	470.34763	0	0	0	0	0	0	59385	0	0	0	0	0	0	4554	0	0	0	0	0	0	0	0	0	0	0	0	49879	2465	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3174	1889	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9082	3610	0	0	0	0	0	0	9843	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23076923	1.8076923	0.038461536
18	C22 H14 O12	471.05582	471.05646	-0.019156855	471.0558	10407	7835	8669	7753	20341	6744	1657	0	24309	8593	4428	0	28635	4277	1680	0	0	21152	21945	3020	10266	24313	2043	0	0	0	0	0	0	0	0	0	2277	0	11974	0	0	1542	0	4101	5031	3936	0	0	0	5430	9104	513	0	0	7473	4707	11198	0	22998	15126	6866	1921	0	0	0	3199	44012	15430	7977	25141	7396	1940	0	0	1931	0	0	0	0	0	0	1140	10569	11091	6606	11238	0	0	33772	12738	4627	3142	7093	1762	0	0	0	31076	17995	0	9859	6273	24409	33886	25874	2426	2916	0	7886	2687	19128	0	0	29053	Phytochemical	0.54545456	0.6363636	0.0
24	C22 H14 O12	471.05582	471.05634	0.021817021	471.05582	6585	9560	5692	7578	18581	8823	2993	1437	22163	5061	0	2884	41314	7389	0	2053	0	26423	21131	2994	4981	14354	6848	1781	0	0	2874	0	1241	0	0	0	2875	0	6476	0	2516	4922	1374	2816	0	2458	0	0	0	3518	5422	0	1086	1516	9085	7837	16238	0	25689	17877	8480	2145	0	2980	1281	1352	39390	23283	6366	20143	6684	1993	1608	0	1621	1761	0	0	1590	0	0	2595	15353	8338	11705	4672	1345	1763	30075	10452	7433	4977	6480	2617	0	2509	3528	17302	16588	0	8211	5129	14342	18622	24258	4068	1876	0	4335	1640	16061	0	3331	39476	Phytochemical	0.54545456	0.6363636	0.0
26	C22 H14 O12	471.05582	471.05624	-0.00706706	471.0558	10481	7595	8777	10839	17164	9348	0	0	21241	6059	0	0	37723	14241	0	0	0	35645	30823	0	0	14668	6252	0	0	0	2040	0	0	0	2333	0	3347	0	6097	0	5453	3376	2647	2406	2302	0	0	0	0	0	0	0	0	0	9509	8412	9712	0	26773	16322	5883	3239	0	3757	0	0	40900	24004	6927	24213	3591	2080	0	1657	0	0	0	0	0	0	0	0	16621	6843	12642	3051	0	0	25849	15114	6967	6326	5465	2834	0	1388	5033	17130	24715	0	8204	6769	11214	23752	19945	0	0	0	0	1991	15367	0	3438	38530	Phytochemical	0.54545456	0.6363636	0.0
16	C22 H14 O12	471.05582	471.05655	0.12270884	471.05585	2709	5486	4393	2990	11542	4133	0	0	13978	5569	3472	0	13577	3541	1636	0	0	7689	10077	3419	3472	14110	2837	0	0	0	0	0	0	0	0	0	0	0	10782	0	0	1526	0	0	3643	0	364	0	0	2557	9423	0	0	0	5133	4437	6755	0	14644	12775	4687	0	0	0	0	2740	24492	11824	3424	13683	2589	0	0	1553	0	0	0	0	0	0	0	0	3309	7624	4247	6916	0	0	15107	7248	4116	2684	2354	0	0	0	0	20363	8249	0	7121	1775	12851	19715	17908	0	0	0	4786	0	12957	0	1355	21544	Phytochemical	0.54545456	0.6363636	0.0
28	C22 H14 O12	471.05582	471.0563	-0.021945735	471.0558	7097	6310	9973	6154	17891	7535	1459	0	17261	6398	1047	1896	35928	10690	3538	2947	0	30775	28625	3512	4000	12788	8457	2822	5325	0	1901	0	0	0	932	0	2520	1102	8004	0	3688	3702	2342	1196	3558	3968	0	0	0	3139	4818	0	1135	0	9038	8561	12711	0	21615	16072	5486	1407	1369	1245	3037	1904	39463	18457	4350	21930	4829	1468	0	2520	1647	957	0	0	0	0	0	1223	15211	5281	12630	1883	1486	0	27072	13418	11161	6960	6705	4304	2105	2968	2731	10277	15821	0	10316	7360	12489	20636	23420	2739	1639	0	0	2264	15968	0	3105	33544	Phytochemical	0.54545456	0.6363636	0.0
22	C22 H14 O12	471.05582	471.0564	-0.034485985	471.0558	5717	3661	11450	8513	23974	8895	3723	0	25042	7960	3073	2353	36051	7346	4123	1548	1809	32201	18958	2051	5448	14803	5815	4744	3395	0	2049	0	0	1179	1258	0	4188	1870	8937	0	4737	5257	2227	2004	3903	5482	0	0	0	7086	8438	0	0	0	6549	8509	10408	0	22486	21818	8973	2903	1652	3111	2907	2255	41563	18996	5359	22347	5425	3284	0	0	2400	0	0	0	1413	1339	563	2034	17817	8011	13269	4898	0	1591	32601	11682	9834	7585	9488	5214	0	3444	3277	20344	23680	0	7836	7667	18980	28128	24375	3314	1918	0	5764	1719	17874	0	4679	39171	Phytochemical	0.54545456	0.6363636	0.0
20	C22 H14 O12	471.05582	471.05637	-0.027564699	471.0558	9045	9664	9946	6644	26405	12076	3093	0	23018	6734	4599	3890	32171	7505	3532	2191	1331	31371	26520	2753	6869	24167	5456	0	0	0	2001	1402	0	0	0	0	3932	0	9829	0	2079	2746	1327	1433	6532	5904	832	0	0	2668	12859	1216	0	0	12324	11329	12076	269	27815	19442	9764	0	2220	2933	4649	4717	42731	20294	9508	26901	5623	0	2406	0	1812	0	1162	0	1523	0	0	1990	11678	12629	12382	7899	1707	0	36918	18070	11555	6970	8097	3588	3273	3549	6343	27297	20260	594	7366	5565	18111	29455	27882	4142	2324	0	2888	3696	23688	0	3767	41116	Phytochemical	0.54545456	0.6363636	0.0
14	C19 H18 O14	471.07693	471.07776	0.13960224	471.077	16472	9992	16534	8336	46360	23374	0	0	63114	0	0	9348	84666	11898	5388	0	0	41644	51812	0	10448	18274	8210	5602	0	0	0	0	0	0	0	0	6580	0	8522	0	4878	0	0	0	14458	12754	0	0	0	9340	30398	0	0	0	12040	11670	24600	0	46370	47364	20664	0	0	0	0	7378	95306	49278	10640	65906	13436	2582	0	0	2924	0	2916	0	0	0	0	3844	9594	0	6842	13606	0	0	41398	0	7172	17820	12786	0	0	7752	5320	17218	8834	0	13212	8940	40298	70790	56394	0	7538	0	0	6940	29744	0	0	108556	Phytochemical	0.7368421	0.94736844	0.0
18	C19 H18 O14	471.07693	471.07776	0.2534122	471.07706	2492	0	2698	3323	11234	5820	1789	0	13890	3326	0	1715	22156	2940	1463	0	0	8818	7741	2566	2547	9807	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1933	2853	0	0	0	0	1934	10587	0	0	0	0	4722	4895	0	12431	13318	3656	0	2224	1030	0	2351	21471	13218	3265	11007	2457	0	0	2037	0	0	0	0	0	0	0	1145	1434	4896	1585	6645	0	0	9722	0	2107	2518	3325	0	0	1990	2582	5653	5428	0	5122	2688	6599	12806	9286	1552	0	0	4139	2212	7551	0	0	20304	Phytochemical	0.7368421	0.94736844	0.0
12	C19 H18 O14	471.07693	471.0777	0.16381264	471.077	17820	10216	16480	10364	44726	14316	4242	0	47378	4052	6362	5942	60084	4968	2868	0	0	28376	27296	0	7918	16464	9650	0	0	0	0	0	0	0	0	0	0	0	7232	0	0	3780	0	0	0	8595	0	0	0	7922	10626	0	0	0	12358	17708	17034	0	34356	48868	13708	2916	0	0	0	0	103110	49790	13042	44500	13084	0	0	0	0	0	0	0	3330	2184	0	3314	5254	0	7774	7320	790	0	44324	10404	5538	10966	15640	0	0	0	0	20360	5518	0	9830	14696	38208	62416	44774	0	4842	0	0	6242	32876	0	0	88806	Phytochemical	0.7368421	0.94736844	0.0
10	C19 H18 O14	471.07693	471.0777	0.10766369	471.077	1665	1516	4250	2928	13744	2124	0	0	10257	0	1912	2468	18872	0	0	0	0	6240	8130	0	1621	3529	2516	0	0	0	0	0	0	0	0	0	0	0	1284	0	0	793	1450	0	1654	2784	0	0	0	0	3131	0	1126	0	1290	3090	5719	0	6827	13534	4310	0	0	0	0	0	24121	12716	2902	13767	2716	0	0	0	0	0	1015	0	0	0	0	1131	1918	0	3416	2669	0	0	16289	1628	2515	4955	4029	0	0	0	0	4240	1783	0	2428	2731	12994	23028	18880	0	1055	0	0	0	7438	0	0	23849	Phytochemical	0.7368421	0.94736844	0.0
16	C19 H18 O14	471.07693	471.0777	0.12229253	471.077	2348	5028	3016	4868	20592	9865	0	0	22344	3793	0	1621	29268	4195	1680	0	0	12925	16969	0	0	12178	3279	0	0	0	0	0	0	0	0	0	0	0	3776	0	2488	2207	1973	1734	3677	4174	0	0	0	3921	12084	0	0	0	6341	2648	9540	0	15022	15579	6431	1573	1533	0	0	2827	41208	24748	6574	19130	4082	1464	0	0	0	0	0	0	0	0	0	0	3592	8027	5292	8664	0	0	22086	4103	2939	5211	6734	0	0	0	0	12257	2301	0	6328	4275	17440	20601	17714	0	1858	0	5875	0	8357	0	0	45495	Phytochemical	0.7368421	0.94736844	0.0
24	C23 H18 O11	471.0922	471.09268	-0.031537563	471.09216	12926	9977	13688	13950	24462	11074	2202	1546	25891	34323	10625	2823	37228	12176	4029	0	0	28643	27933	16804	13901	38236	8880	3556	3408	9373	2582	5848	1290	0	0	1415	2513	1427	44564	0	4047	3970	1652	8879	11540	3821	0	0	0	13606	19292	0	0	0	12746	12814	15781	0	27515	24716	10085	3302	3013	1247	3365	7454	47157	27900	5469	29839	8760	1478	9586	12216	17586	1378	0	0	0	897	0	1968	17375	21058	15413	12272	3067	9142	33386	14034	14620	5085	6652	2988	3529	4700	3473	37677	43815	0	14482	11783	16756	23815	22476	3698	2305	3886	9147	2728	17034	0	3724	39168	Phytochemical	0.47826087	0.7826087	0.0
18	C23 H18 O11	471.0922	471.0928	-0.009614108	471.0922	50005	44797	45337	41930	57024	31549	7603	5314	63234	131794	61137	7605	104378	29005	14126	11403	4441	74713	67684	73787	76582	100357	20268	11569	8669	38457	8676	29007	4318	3798	7067	5418	14550	0	155018	3203	18455	16127	6040	43963	45812	15735	1383	0	0	61902	69266	603	4795	5263	36061	38456	39811	214	66527	42761	23648	15465	13364	11190	12263	33654	108974	55679	21666	67704	27444	4028	48339	45460	56161	5273	2606	3058	3423	0	0	6015	40713	69530	27621	57367	9656	32776	73255	37520	32336	24373	21481	12051	17122	21889	17154	93087	128253	0	38234	38213	58419	63987	55870	11431	5910	12852	46645	9707	46606	0	11228	98488	Phytochemical	0.47826087	0.7826087	0.0
20	C23 H18 O11	471.0922	471.09274	-0.004479701	471.0922	34395	32734	35066	30341	53263	31260	10706	4245	54735	96158	44462	3922	83343	27374	14808	7515	4323	67835	53704	59225	65362	78448	18304	9698	8596	36264	6392	17837	3264	0	2660	2193	13663	2620	115634	2699	7116	11411	4718	39876	33520	14407	2335	0	290	47189	61652	916	3645	0	36326	33464	34776	0	59254	44908	22623	8236	10426	4442	8097	25813	104708	47707	24314	62642	22235	4106	30389	39376	51532	2544	1949	0	1700	2068	371	6496	33285	51848	28241	42890	5299	26330	69044	34552	28240	17115	16400	8430	12732	17242	12917	86753	92819	0	32070	36680	50514	55980	59481	6226	4156	9024	44341	12449	47419	0	10639	106273	Phytochemical	0.47826087	0.7826087	0.0
14	C23 H18 O11	471.0922	471.09286	0.036312897	471.0922	17369	16194	16604	14906	27979	10814	3828	2798	30075	79504	48802	4772	32349	12172	5833	4491	5306	28121	27881	31035	35571	48462	9683	5303	3965	25657	4145	13518	1445	0	1593	0	4706	2901	105349	0	4736	4300	3132	19316	30921	7541	0	0	0	22000	55535	0	3312	2281	23284	17073	16367	0	29285	21285	12348	3562	0	7025	0	16115	39073	29531	10038	32781	5479	6144	36551	25393	41795	1050	1802	0	2125	1055	0	3622	14780	26799	12584	30385	3224	14305	32757	12619	14089	9686	9225	11884	6294	6138	9539	61632	46345	0	17305	19316	32564	35420	30851	2901	4218	4219	34493	6443	23234	0	4944	37403	Phytochemical	0.47826087	0.7826087	0.0
22	C23 H18 O11	471.0922	471.09274	-0.029168319	471.09216	25543	20405	22937	21450	39823	19752	5704	2091	38561	53262	20110	5869	51498	17410	8973	4946	0	44051	34092	30155	39116	51658	10067	5911	5517	19272	4094	10667	2411	0	1442	0	5786	0	68831	2061	8257	8506	3751	17880	17572	6675	0	0	0	30426	34751	0	3097	1611	23151	26921	25923	273	42119	38221	12649	4547	7733	2627	2433	18191	62438	36260	9821	40415	18040	3194	22132	32181	27942	1700	1314	0	0	1482	528	2551	23561	28408	18810	28700	2343	14562	52168	25130	21780	10164	10625	3648	9136	11415	7084	60279	69346	0	21661	19346	35592	41680	41463	5964	3872	5379	21892	5438	29634	0	6805	61473	Phytochemical	0.47826087	0.7826087	0.0
28	C23 H18 O11	471.0922	471.09274	-0.027340394	471.09216	5997	7900	8038	7289	11425	6958	2286	0	15816	19089	2666	1776	22750	6327	3091	0	0	18335	17823	8839	10019	16213	3950	0	2910	4311	1633	1863	0	0	1235	0	2461	0	22934	0	2042	2422	0	4440	4852	2446	0	0	0	6054	6995	0	0	0	8154	6270	7934	0	16553	12099	4363	2574	2250	1824	1901	2842	23890	12851	4198	17485	4890	1093	5922	9705	12802	0	0	0	0	0	0	0	10187	8689	8073	5204	1801	2557	22037	8659	7331	3042	3474	2494	2171	4616	2450	17416	25811	0	9721	6733	9906	12893	14828	0	1230	2579	3010	1862	11786	0	3085	22811	Phytochemical	0.47826087	0.7826087	0.0
26	C23 H18 O11	471.0922	471.09265	-0.09785562	471.09213	9233	9873	9713	7796	18194	10357	1716	0	16988	25785	6827	0	33677	8778	0	0	0	27095	15335	12753	9473	26958	0	0	0	0	0	4455	0	0	0	0	1670	0	33685	0	3282	3352	0	6654	7093	0	0	0	0	10482	9475	0	0	0	8313	8705	7390	0	24758	18301	5998	2032	2466	0	0	3522	33339	18878	4171	18410	5508	0	5964	14475	12634	0	0	0	0	0	0	0	11255	12225	12495	5892	2570	4192	23977	10965	7252	4527	6699	2140	1940	3089	4308	18666	47488	0	8622	10041	13673	21314	25471	0	0	0	0	2577	13628	0	2952	27860	Phytochemical	0.47826087	0.7826087	0.0
20	C22 H18 O10 N2	471.10342	471.10403	-0.029562525	471.1034	10536	11068	13230	14235	8436	10296	2440	5084	11930	37847	9524	2290	25350	0	3348	5168	4446	5652	9113	16850	22702	43281	3104	6080	2694	6202	0	6044	0	0	0	0	4158	1420	31369	0	6224	1147	5292	29331	28879	4112	0	0	0	35910	48254	0	5268	0	8392	11434	7274	0	15702	13426	6142	5182	4952	2096	0	16213	23486	19895	3222	19072	5804	3332	8346	10143	20743	3474	0	0	0	0	0	3302	4400	32067	3960	18186	2580	21016	14900	5640	13264	7484	3018	10079	2202	9368	9238	48796	43852	0	8134	8504	11490	10692	11348	6698	2430	3816	25402	2488	7540	0	7280	24215	Phytochemical	0.45454547	0.8181818	0.09090909
18	C22 H18 O10 N2	471.10342	471.10406	0.09803212	471.10345	6055	7310	6051	7439	4800	3177	1492	0	8970	27259	8089	1945	15785	2698	1595	0	0	6578	6429	12838	23605	27695	2291	1631	1764	2147	1200	3920	0	0	1507	0	2720	0	20845	0	2729	1480	2391	11222	26510	1654	444	0	0	12494	22126	0	1815	0	6756	7640	2780	0	7891	8534	2600	2430	2043	1776	4598	16262	21009	7308	1920	8864	2738	2821	9545	5816	10448	2932	0	0	1602	0	0	1705	7233	15618	2831	16304	1452	5914	7884	4365	5879	2952	4405	9450	2936	6524	7216	31525	35629	0	8754	7810	6331	11954	7346	0	1216	1911	10017	1971	4620	0	2125	13840	Phytochemical	0.45454547	0.8181818	0.09090909
12	C22 H18 O10 N2	471.10342	471.1042	0.064202	471.10345	3961	3524	3847	4475	6331	3759	0	0	8686	13678	12412	1860	10267	2084	1794	0	2652	4851	8472	7551	21056	20640	2263	0	0	5047	1323	0	0	0	1336	0	1647	0	32400	0	1966	1560	1799	10179	18606	1288	0	0	0	8769	27391	0	1155	0	3945	3737	3680	0	8551	5632	4148	2424	0	0	0	12680	19624	7995	2036	7077	2673	0	0	5509	23800	0	0	0	0	0	0	0	2281	0	2517	10913	1098	4788	8114	3870	3641	3019	2132	5128	0	0	6770	17923	14981	0	4566	5942	6443	10728	6877	1644	1507	0	0	2006	6209	0	1459	9203	Phytochemical	0.45454547	0.8181818	0.09090909
12	C20 H22 O13	471.1133	471.114	-0.001120379	471.1133	54893	62098	56936	56097	70431	47859	23553	31907	96365	64529	67841	27869	116181	23089	40317	28055	23890	95598	102541	64490	80557	106609	45911	32262	7859	5482	18975	16607	17826	22029	29848	27363	38231	24569	107352	18442	39123	41030	25089	37896	72298	36175	0	0	0	84766	165133	0	34577	25738	54246	54981	47412	0	114372	72040	37520	36685	26192	26443	23663	56300	161055	87787	28018	89367	48519	29739	0	21246	31651	24527	24156	20980	22019	22487	0	33044	49449	48793	42039	72456	12975	13936	80113	35370	43319	34549	38639	25876	18263	40026	41605	112898	80454	0	58020	70220	81968	70692	61299	33150	30529	27411	149429	32065	67451	0	17384	151722	Phytochemical	0.65	1.1	0.0
14	C20 H22 O13	471.1133	471.114	0.012325393	471.1133	77107	73398	68087	68879	87102	70344	20462	39942	116055	73419	58312	36117	176560	35601	50350	29064	21161	113765	102691	72125	93859	147324	67896	33485	14668	6445	16581	16936	26792	23305	32569	35259	52636	29971	113915	23397	47982	41513	23592	51816	72549	41831	0	0	0	106578	192518	0	32035	34898	69635	74830	61541	0	149991	76377	42040	43465	52990	26730	42848	65838	179593	123787	31576	105338	53950	27782	19454	20952	37412	33193	30539	28576	21911	28926	0	35823	46058	72412	43256	103758	15899	16372	75638	47536	33214	44149	52986	14582	23424	39113	45415	101740	69157	0	70797	68904	83289	72606	59630	39199	36527	29090	175660	38833	65163	0	18433	159992	Phytochemical	0.65	1.1	0.0
18	C20 H22 O13	471.1133	471.11398	0.107527375	471.11337	32283	26959	33760	30293	42920	37461	7301	15049	53286	26505	15289	15780	78695	14948	21031	7402	6176	55354	49247	29594	47337	52827	24396	12787	7139	4775	8915	9578	11225	12818	16044	7923	19970	10889	44850	11545	23596	21125	11697	30602	28019	16314	739	0	0	73195	107363	0	14175	9556	26552	31106	32704	0	60332	32774	21896	13339	18733	6512	10274	35720	63734	45945	17589	41906	21215	8913	12661	11749	15734	16420	10818	13439	7511	9824	0	17182	19657	33796	18253	89664	7872	9610	37525	22138	13727	13449	17188	7777	8239	16922	21356	42672	23964	0	32407	25503	48439	22732	17733	13132	15090	12134	78129	12289	29618	0	5765	77422	Phytochemical	0.65	1.1	0.0
8	C20 H22 O13	471.1133	471.11414	0.12576969	471.11337	8433	7847	8138	11444	13775	6893	3540	3083	19844	14167	13242	5653	24227	5888	3961	4580	9484	18466	17617	9940	12557	16207	7440	5869	0	894	2021	2061	1618	4297	3726	5674	4127	4025	19008	3193	3518	7686	7679	3712	10073	6935	0	0	0	6225	21671	0	3311	6465	11731	11309	8838	0	15070	14191	7197	2703	2276	10012	0	4038	30471	14142	8373	19330	7601	7612	4439	2284	6795	3809	4293	2225	5949	4944	0	2468	11955	8694	6960	6855	2075	1589	21363	7428	9827	7425	8621	12125	0	0	6657	19229	13859	0	8960	14435	14554	25111	21729	5208	4945	3688	6600	4273	16644	0	3131	28346	Phytochemical	0.65	1.1	0.0
10	C20 H22 O13	471.1133	471.11404	0.068940535	471.11334	62344	63873	47684	61655	64150	35020	18820	24010	101355	91504	66752	41334	129965	26270	28718	33590	35714	98349	103397	55970	88418	112587	53084	37722	12110	5508	26220	13576	16178	24358	27276	27744	40122	29906	96873	17042	25682	27348	35762	25330	71461	37104	1356	0	0	71452	147399	0	22374	31914	63028	53726	47396	0	102822	82557	45217	36164	35462	38754	46554	43543	144424	112245	29138	99127	46524	40026	19118	13882	20108	27010	25686	16664	32860	23616	0	29300	62640	47368	40290	68971	13250	7948	97958	40336	48919	34159	34836	44480	7696	35668	44082	118074	86686	0	69799	59966	84324	100187	90894	33808	30566	25566	58104	32139	71875	0	16126	148286	Phytochemical	0.65	1.1	0.0
24	C15 H27 O13 S1 Na1	471.1143	471.1149	-0.13145466	471.11423	2918	0	5457	5675	4258	3032	0	0	7826	14857	9810	3042	5189	0	36230	0	5858	4390	2551	5361	7766	11174	1981	0	0	13957	0	5951	0	1334	0	1383	0	0	18554	2013	0	33344	5318	12805	9325	0	0	0	0	10129	17758	0	0	0	5348	3285	2008	0	4997	2340	0	0	2108	0	1387	9942	3631	1773	0	4882	0	7521	12876	14007	18928	0	0	0	1901	0	0	0	1275	6665	3026	16203	946	6959	6517	0	1478	1420	1947	0	4349	3638	1998	14290	16621	0	1652	4016	1913	1433	0	1298	1589	1497	18438	0	4510	0	0	2686	Organosulfur	0.8666667	1.8	0.0
18	C23 H22 O7 N2 S1	471.12204	471.12302	0.3579892	471.12222	6660	3303	6352	5264	0	7700	0	6124	4406	5690	4160	4396	15482	0	6126	2199	4990	14052	9242	10687	7110	7992	9144	1333	0	1877	3420	3394	0	2656	0	6280	4332	0	0	0	8038	6086	5336	7463	6987	3038	0	0	0	11954	20678	0	4218	3242	6278	10926	4598	0	6436	7978	1312	4818	6980	2974	7756	7958	0	4750	4972	7714	3460	0	8322	7336	4697	0	5170	2478	7008	0	0	7218	5944	13920	5206	6430	2508	8017	6154	6176	4464	4172	0	6440	5690	10772	13627	9852	4576	0	11870	6392	0	0	4134	3418	5932	5726	11402	10168	2598	0	4798	10510	Organosulfur	0.3043478	0.95652175	0.08695652
14	C19 H22 O12 N2	471.12454	471.12534	0.16787831	471.12463	9747	9372	9982	9627	15638	8582	3414	7996	16637	4547	7157	14254	21602	5058	12379	4269	9856	17101	18306	7316	14044	19346	14492	11476	3611	0	4306	0	6142	8133	7806	0	14605	5418	12453	7989	10258	8587	10503	8976	15238	11333	0	0	0	19419	44508	0	8448	8044	8099	10619	9846	0	22736	11648	6513	8109	8109	9902	0	13652	24137	21991	7781	11033	9509	8099	0	1861	2958	7054	7927	8535	10115	5198	0	8821	10851	0	6209	17574	2538	1510	7815	5741	6539	8329	7024	10538	3908	6370	16835	14875	7064	0	9324	7853	6409	6639	7627	10205	9933	9618	28677	15715	6470	0	3430	24978	Phytochemical	0.6315789	1.1578947	0.10526316
10	C19 H22 O12 N2	471.12454	471.1253	0.045345895	471.12457	17059	20334	15229	17804	14197	9761	4720	13248	19723	12708	10057	16855	26837	2942	11257	15825	20579	20147	22823	12162	25838	28226	15896	12073	3453	0	6262	3178	8234	11111	11006	6760	19334	8758	13888	12448	19691	10929	20226	15050	26359	14024	0	0	0	16281	36442	0	16253	11885	15446	18665	12264	0	28977	16394	10616	12438	13559	15686	15355	12778	35588	26446	9779	22086	18074	23637	0	0	2683	12142	8159	7239	13011	10008	0	10545	15013	12312	9345	14979	4592	2968	18958	6943	11757	15723	13921	20960	0	8247	24883	26661	13636	0	16199	14208	11727	11595	17525	20578	15678	11386	20160	19253	12638	0	5990	38389	Phytochemical	0.6315789	1.1578947	0.10526316
12	C19 H22 O12 N2	471.12454	471.1253	0.10817545	471.1246	9031	18642	17511	11119	11653	7812	8069	15404	20623	10689	12033	15233	22528	3784	11471	11403	18382	21010	24047	14118	23846	23323	18308	15745	3763	0	4676	0	8761	8664	8729	10430	21713	9367	15387	9615	17965	10583	16911	13369	30034	12331	367	0	0	20361	50761	0	10118	10885	13228	14902	17079	0	33263	13764	9225	8948	10803	17333	0	21653	42362	31434	10283	21631	11102	22198	0	0	3063	10590	11748	8528	11429	11832	0	12045	14570	0	12855	17143	5299	3867	15156	9260	9685	12447	15233	21881	2531	14385	23213	21571	6277	0	19189	18813	16888	9388	12820	16271	16233	8416	26040	20802	13692	0	5294	35032	Phytochemical	0.6315789	1.1578947	0.10526316
8	C19 H22 O12 N2	471.12454	471.12537	0.10233113	471.1246	29879	31177	25532	33974	28969	19353	14501	14987	51231	38789	35416	22807	63471	8406	17031	23920	32930	48053	55067	33497	48594	59452	33475	30953	4002	10926	13915	2061	11280	17978	17844	21928	24459	20504	53762	12353	23334	23676	36970	20152	60455	30359	0	0	0	32608	72176	0	19097	25147	36858	34730	22402	0	54971	37449	26410	13535	20432	27282	18782	22450	95570	52379	29687	56448	26139	44457	14648	7687	21438	20783	18157	14806	29372	24520	0	15832	34596	18972	25840	23201	9652	8805	47755	17336	27320	30461	33672	45661	0	0	25523	48993	39140	0	31848	41467	36992	54574	43795	33056	17953	17754	36266	25167	35874	0	12353	92191	Phytochemical	0.6315789	1.1578947	0.10526316
20	C24 H22 O10	471.12857	471.12915	-0.03701775	471.12857	85648	90030	80029	73096	100299	70136	19934	21561	119856	294655	140773	19032	139111	57401	30513	27104	12786	119005	133463	193551	174182	145428	40974	28377	28602	182811	19312	112801	18145	14940	16774	20876	31398	18103	347923	16276	34895	26625	18413	120477	93577	35766	2526	0	0	121879	127523	769	22897	16949	84871	86951	64105	486	103686	80453	43811	32332	33947	18525	37753	83456	144995	81324	46246	107121	49135	16059	149830	223381	231499	19466	11430	8558	14462	17405	629	21997	61155	94188	52620	100391	29396	124876	112771	59043	58836	35155	38602	29197	41328	59948	48578	129303	150668	554	85132	79741	92698	93506	88026	31671	18202	31787	93416	28040	84658	0	31300	149894	Phytochemical	0.41666666	0.9166667	0.0
16	C24 H22 O10	471.12857	471.1292	-0.030531302	471.12857	74514	78447	59466	71215	70519	38305	18528	24814	71308	254089	141921	16311	88800	39545	28402	34574	19738	81069	93793	161544	167959	118602	42327	27262	28875	148492	28123	91626	22136	19672	22015	26373	39575	17435	326625	18500	27942	32722	26124	101509	95105	21488	1605	0	0	110051	128442	427	34739	20839	61697	70192	42860	253	65508	55546	36527	34484	31568	24074	36808	69163	100850	58346	29460	74839	32845	24891	136837	189313	195988	24509	20289	21312	22186	27099	0	21446	56637	83268	43300	101881	28751	85371	80337	40059	52471	24266	33806	42218	41377	39587	40783	108144	139404	0	63408	60754	67357	67811	64159	24787	20137	28611	70825	24115	59896	307	32083	85281	Phytochemical	0.41666666	0.9166667	0.0
26	C24 H22 O10	471.12857	471.12912	-0.036555916	471.12857	11426	11930	11715	11873	22799	10695	0	0	24787	45937	14569	0	33740	9357	9564	0	0	27453	20343	23661	28134	25166	5866	0	0	19082	2212	9611	0	0	0	0	4398	0	45110	0	2918	4009	0	15426	12509	0	0	0	0	14298	13024	0	2849	0	13433	11454	11735	0	23670	24162	7838	2315	2760	3648	5729	8648	34496	17794	6845	22030	6275	0	26997	43774	49233	0	0	0	0	0	0	0	15838	16709	10797	12344	0	9520	26481	12774	11341	6243	5196	3310	3818	7501	5372	24749	41980	0	16648	11988	15557	20532	16350	0	0	0	8463	3141	16921	0	3550	35913	Phytochemical	0.41666666	0.9166667	0.0
28	C24 H22 O10	471.12857	471.1291	-0.05995218	471.12854	7662	5811	8812	5416	12004	4782	2016	0	14321	22187	6831	0	26357	8178	0	2294	0	16797	13885	14227	15620	12559	5905	4714	2194	14409	1190	6293	0	0	1723	965	2311	0	31613	0	1536	1891	0	7863	7930	0	0	0	0	9139	12160	0	0	0	8146	7738	6806	0	12941	12666	4573	1896	0	0	2537	6325	18029	11212	4563	9260	4374	1574	15327	27509	28279	0	0	0	0	0	0	1236	8596	7604	5243	5435	2100	5838	14412	6501	8956	2185	3258	1693	2626	4901	4487	13411	22390	0	9964	6761	7703	12681	15977	2841	0	0	4973	1383	8875	0	2396	19319	Phytochemical	0.41666666	0.9166667	0.0
10	C24 H22 O10	471.12857	471.12927	0.028846197	471.1286	6205	3661	4700	4619	3750	1759	0	2491	3985	17439	11278	1212	5663	1675	2650	3348	2436	4529	5006	7645	13264	10864	2314	4431	1405	11776	3388	3892	2334	1126	2599	1739	2207	2859	19069	1249	2300	2669	4295	6786	6643	0	0	0	0	7080	13450	0	2649	2909	4557	4134	4181	0	2709	3851	1610	5082	0	3923	0	4609	7172	2745	2020	6542	2968	2792	10347	13588	21585	1631	2482	1836	3244	2731	0	1906	5287	0	5160	5206	2275	6325	4682	2208	5725	1667	1720	6540	0	4314	5033	7815	8658	0	5574	4831	7398	5001	4399	3433	2089	3478	0	2700	2969	0	2625	3139	Phytochemical	0.41666666	0.9166667	0.0
14	C24 H22 O10	471.12857	471.12924	0.008351086	471.12857	46322	40186	32551	37919	32492	19971	12353	18543	39509	136048	81515	11653	43713	22402	21180	18078	9532	34261	45559	85873	87218	68604	24426	19293	13669	80722	17291	44938	10338	13374	14464	12322	18507	15021	158701	11297	12230	18657	16108	59293	61405	14650	0	0	0	67187	101226	0	18977	15135	37687	35740	21740	0	31104	25267	19449	23800	26020	15122	0	34054	43863	29670	16534	34189	18675	18218	81517	99887	124021	14995	16910	11778	17164	15030	0	17597	29781	44031	26894	51096	19710	39345	37354	23564	34558	14706	15104	24519	24841	23126	24011	67182	69448	0	49293	30005	40879	36055	35606	13408	14080	23838	69323	17197	33544	0	16612	40695	Phytochemical	0.41666666	0.9166667	0.0
12	C24 H22 O10	471.12857	471.1293	0.054895476	471.1286	12999	17852	21861	13972	11762	5299	9159	6587	15516	52405	33104	8006	10029	7183	7622	11754	7891	11798	13433	38329	39239	29183	6826	11547	4123	27844	8860	27779	5941	4724	6587	7776	8963	7246	69688	7022	4803	9388	8824	23464	22399	4769	352	0	0	26018	41376	0	7150	8403	16690	17488	5850	0	16916	13187	4768	11777	5604	8837	0	9502	16322	10708	5763	11663	7820	10885	45237	39582	56700	6639	4139	6215	6848	6397	0	6147	13893	0	12047	22237	8549	14449	16885	6877	12489	4647	6447	11231	11926	8915	9526	21719	24730	0	19127	12388	14089	18730	11285	11955	7094	7260	30397	5804	11579	0	7600	17833	Phytochemical	0.41666666	0.9166667	0.0
22	C24 H22 O10	471.12857	471.12915	-0.051666915	471.12854	48184	49841	41653	48190	68650	41205	8414	14765	79828	157410	73041	10277	76526	44112	17277	13880	5603	78610	71198	101044	112779	79030	23747	17867	17585	102129	8528	58644	9856	5464	10568	6929	15776	10472	196122	7419	16382	20674	9641	71942	57709	18563	0	0	392	81398	75950	0	12257	6816	53958	45944	38790	485	73827	56688	29620	19716	18702	7669	12588	50707	112176	51587	30642	74053	31013	4979	92002	152827	128879	9007	5375	2096	5561	9760	370	12484	43275	53438	32784	65398	13394	46316	88134	45181	36629	19242	22584	15998	19472	30457	25249	69915	113614	0	47427	40311	68147	74249	63130	11472	9921	17299	58673	14757	54010	0	16210	106286	Phytochemical	0.41666666	0.9166667	0.0
24	C24 H22 O10	471.12857	471.12912	1.34209E-4	471.12857	24205	21406	22651	22101	36420	19469	3585	2751	40965	76502	39881	5506	56995	17698	9138	3819	4859	32517	33720	43261	47465	45924	13525	9295	6610	44249	4191	20341	4133	3836	3987	2199	6444	2184	90908	2935	5969	7533	2206	28786	22746	7426	0	0	0	26600	34588	0	3958	2708	27121	21662	22510	0	41467	32198	13678	5936	6082	3979	7022	21868	59429	28195	12823	42633	17480	4427	48232	81620	79408	3723	1680	1788	0	3268	0	4099	25984	24831	19493	28041	5485	21655	46507	17941	18032	8506	10377	3033	9788	13722	9765	42346	65832	0	21377	19446	31215	36500	45120	5733	3506	6255	23063	4545	26628	0	5227	66491	Phytochemical	0.41666666	0.9166667	0.0
20	C21 H26 O10 S1	471.13196	471.1327	0.41013753	471.13214	7834	17982	12573	10577	11355	25252	4683	7327	14368	47688	6959	5837	15340	4848	20270	15204	4667	25636	14302	17722	44188	37360	12084	14964	7905	13596	2538	15520	7625	5312	12366	13778	16126	6538	41598	4571	5098	5188	5681	15464	10645	3669	0	0	0	45230	66922	0	6163	16324	8983	11125	18672	0	30090	8082	10730	4517	26882	11476	5431	29086	17216	3801	4838	7581	8450	4094	10243	6062	21868	7621	5706	6835	5825	4667	0	6951	6373	22314	4964	35514	11774	0	20770	14256	5123	3828	4854	4599	8922	41058	21262	17178	36106	0	7515	10138	20600	7799	5615	14330	8734	31844	20919	6416	15022	0	5191	38416	Organosulfur	0.47619048	1.2380953	0.0
8	C23 H22 O9 N2	471.1398	471.14062	0.04966046	471.13983	8366	5872	4062	5053	6101	2795	703	1593	5555	21359	12711	1427	7012	1390	1667	3473	1835	5110	7518	14573	22329	13057	2288	3774	1144	9541	1807	6037	1313	1588	1898	1892	3216	1116	29800	1159	2019	1166	1938	14086	16305	1993	0	0	0	10835	19992	0	0	1823	6774	5682	3439	0	7125	4304	2254	3637	2793	2949	4692	13731	10445	7548	2905	4254	2968	2646	16857	15662	26496	1277	841	871	1484	739	0	1338	3762	9116	3747	8672	2395	7260	5229	0	5023	2236	2879	3327	0	0	5739	14851	17923	0	5438	4998	4936	6817	5986	1871	1857	4232	0	3695	3881	0	1412	9402	Phytochemical	0.39130434	0.95652175	0.08695652
22	C23 H22 O9 N2	471.1398	471.14035	0.010168364	471.1398	11536	6662	13492	6980	12254	7812	5822	3422	8822	28906	15604	3988	5017	0	7988	6838	4892	0	11144	17878	24574	27182	5116	4801	6280	3578	4986	14594	6411	0	2072	0	9186	0	34332	2406	7698	5776	0	14940	22682	4276	0	0	0	20176	31102	0	7376	0	12822	8588	8426	0	8932	8814	6910	7404	8680	4652	3952	16866	0	7362	6796	4298	8112	5780	6424	20122	16624	5013	3366	3872	0	4416	0	4602	8672	15496	5610	16282	2466	13024	8434	5378	10806	6940	5114	11312	7008	0	10568	28908	35248	0	7718	9752	6316	5680	7010	6936	3510	5742	12380	3696	5478	0	4472	18950	Phytochemical	0.39130434	0.95652175	0.08695652
18	C21 H26 O12	471.1497	471.15027	-0.023193533	471.1497	470826	454806	371354	488256	269170	322950	237064	557156	367734	592366	259972	285524	588412	208176	608810	367160	160302	587190	555142	667084	507684	656722	540864	457408	326988	188766	214766	192024	406826	380062	451790	443490	581348	169132	770164	376934	550028	391304	229166	612644	141610	236256	5628	1006	0	717370	509316	676	434608	392050	496258	407288	280336	0	684360	246088	211834	423492	427554	185632	446422	402260	442410	465976	191186	384558	367482	226104	285886	423270	183708	545614	393324	497830	224340	335956	0	433326	293546	236370	287060	429944	266744	156452	251904	234054	288212	260740	298692	169292	365992	566944	866536	280780	374796	1006	488164	487962	237172	180378	184870	405640	301492	466868	418940	465590	205222	0	314620	617034	Phytochemical	0.5714286	1.2380953	0.0
16	C21 H26 O12	471.1497	471.15033	0.004423511	471.14972	369600	376606	330166	345950	270314	277202	178018	363250	393700	672818	253652	179114	517334	129666	369876	242766	129978	507346	453432	684250	568712	610238	306314	326626	245550	124640	151748	181338	326912	287772	382240	315106	366886	253680	933428	308406	389658	263484	133648	498194	217548	200333	6630	744	0	650969	420266	798	352170	298476	367206	346432	250362	0	607290	234478	175442	301280	402040	116532	323236	353536	497990	389418	132266	312214	269922	112380	152718	292304	194240	362420	322922	360150	146773	276226	0	276687	223208	242096	217392	450838	204900	224500	228056	179020	203228	153972	227398	132658	237186	383670	325882	331816	410096	2630	360724	367626	272454	179390	195436	295048	209960	344050	378896	340434	220697	0	166940	534898	Phytochemical	0.5714286	1.2380953	0.0
22	C21 H26 O12	471.1497	471.1504	0.20071138	471.1498	11981	13733	11744	13166	8099	9771	0	16080	13988	41762	0	8045	18474	0	12645	6157	4481	16906	13716	20660	21980	25002	14148	12249	7140	0	4569	0	9805	9536	12915	13379	13275	12223	23249	12657	14150	11758	5670	24449	0	5008	0	0	0	37485	21871	0	11265	10385	12990	10473	9773	0	21592	5811	7141	9695	16319	4489	8529	18140	13699	22239	5521	12573	8865	4458	0	16043	0	14085	9893	12236	5320	8806	0	9937	9844	7637	6714	24979	7855	10696	7130	10136	6648	5889	10291	0	12039	16753	13530	8325	11331	0	12094	11003	7999	7277	4736	8497	8435	13152	31354	10334	6726	0	6645	19830	Phytochemical	0.5714286	1.2380953	0.0
24	C21 H26 O12	471.1497	471.1504	0.30957708	471.14984	8120	8465	9713	8479	2843	3585	0	3923	7535	23331	20330	2690	5192	2924	2698	0	3313	8000	9070	33189	23365	17315	3864	3734	3636	45821	0	18509	3099	2500	3011	2750	2434	2039	25651	1615	4368	2910	1135	20657	24803	0	0	0	0	22295	19904	0	0	1809	9290	6485	3438	0	3337	0	3349	3419	8766	3952	2813	16357	5716	6129	0	7015	4689	1608	34348	40634	48412	4079	3632	4046	0	2734	0	2709	3478	19848	3866	14814	2854	18017	5558	0	2150	2003	2479	4380	8859	9019	0	20944	21327	0	11764	11128	5475	1240	0	2494	1639	5832	16034	0	0	0	0	7938	Phytochemical	0.5714286	1.2380953	0.0
10	C21 H26 O12	471.1497	471.1505	0.11284498	471.14975	42891	40670	57396	32471	52204	16126	51520	75002	59098	67102	73166	26253	27219	10944	49704	35670	46138	33651	59666	61338	61005	92146	34148	70662	11054	15701	26617	20843	57196	33368	27444	63982	78150	29601	86431	66918	41427	23682	32264	65478	47923	33008	0	0	0	98282	66710	0	74470	36618	39000	39685	18215	0	71018	22717	28936	69098	33495	56904	29247	60036	36974	59522	24580	58030	35532	62428	24933	20917	32136	35421	60244	32514	53784	32785	0	23759	33731	28714	35004	35285	22571	21646	29307	18645	55994	14422	43942	61202	17682	25602	66370	62590	48975	0	68998	35526	25328	25109	22221	38766	25478	38768	47726	23890	26213	0	42394	71666	Phytochemical	0.5714286	1.2380953	0.0
14	C21 H26 O12	471.1497	471.1504	0.013694556	471.14972	340378	151579	158148	324300	103723	109462	96824	332240	158485	343184	167461	194448	179190	55676	275316	129094	80790	348404	345770	280921	253834	292215	273786	155425	87996	57949	78815	107847	256586	248490	143608	170161	335668	242124	877392	272596	297070	259490	84572	398158	144476	91363	3248	0	0	560822	251760	0	146601	266696	303382	147708	99368	213	456518	87462	65516	292002	227168	75923	151619	339882	383432	323010	63451	142988	103418	77763	77457	119955	102014	296086	261792	155030	83257	268478	0	241940	119180	123263	107600	373432	99503	102342	94195	84198	104650	72046	202904	80038	96958	136193	327788	171706	193842	846	172866	158469	111022	85058	81528	147850	200802	175694	282380	243118	92257	0	87443	339920	Phytochemical	0.5714286	1.2380953	0.0
14	C20 H26 O11 N2	471.16095	471.16162	-0.003956187	471.16092	41256	39156	40481	32395	16046	32593	27800	58880	34520	46053	13038	29999	39467	8488	52099	34045	30318	52971	51055	46223	41912	53269	43703	55788	39406	6242	24119	10177	49070	41772	43967	35145	78360	45462	71916	51817	60893	40847	25891	56475	29908	27184	0	0	0	52428	41880	0	45253	49978	39007	38072	28544	0	59762	16875	17030	44397	81317	23037	53385	44281	41180	39108	18083	31286	30502	24151	0	14507	8354	50959	40451	51473	24583	33831	0	38257	27955	19013	31890	34746	23825	14817	21255	24508	25626	26532	36017	38588	34523	62859	79592	27296	32529	0	35216	41624	22973	10483	10166	48138	38028	51656	33981	51698	14004	0	27275	41911	Phytochemical	0.55	1.3	0.1
10	C20 H26 O11 N2	471.16095	471.16162	-0.049481753	471.16092	52031	44852	43349	44653	20156	20483	27891	60546	38776	54883	26575	36218	41893	7413	43418	57430	34888	44145	53161	47237	51524	80808	44705	66123	24372	2587	26385	11907	46607	44767	51264	52392	62212	46495	59103	48580	63322	40937	43716	47380	53194	26902	0	0	0	58963	50830	0	56687	47734	47168	47874	28385	0	55765	19704	20365	54029	57218	39111	58111	35800	47747	39886	19443	33579	32532	44549	10136	12778	10645	53499	47884	52254	35700	41683	0	39180	36786	17862	29210	29059	32833	22689	28845	22433	37800	26211	30598	41236	26681	58946	93626	37518	38882	0	53099	47249	19401	15323	17544	56748	36644	52467	42443	53600	17653	0	29149	53828	Phytochemical	0.55	1.3	0.1
8	C20 H26 O11 N2	471.16095	471.16168	-0.06251808	471.16092	34992	32610	22237	34107	13347	12358	19621	31669	23095	29665	16001	27309	26549	4868	25096	33801	30354	28586	33799	31126	36815	38734	31362	36468	12673	1556	15809	7637	25003	29362	27174	31971	32089	29963	41963	29618	34629	20893	37874	30111	36982	20487	0	0	0	34101	32712	0	35521	28264	30102	31445	14211	0	35404	14243	11155	32848	32056	32295	30485	21931	38721	28852	14881	21796	20386	36877	6009	6886	7058	34626	31024	25170	23613	25495	0	20475	24927	12151	18681	16631	16338	10808	17665	13051	22671	21157	21608	38738	16809	34915	48760	24700	23208	0	34018	35511	16105	14834	17842	33142	24916	39439	20641	35504	16308	0	17460	30915	Phytochemical	0.55	1.3	0.1
6	C20 H26 O11 N2	471.16095	471.16174	-0.030982029	471.16092	16324	15748	12687	13666	10514	5599	9032	19573	12016	11917	11227	10373	17151	2554	9037	15703	17408	13527	18445	11692	15469	23758	12565	18638	4385	0	7723	2741	11258	12288	13329	16368	19900	12029	20601	13372	16253	7466	18537	9421	18762	9827	0	0	0	11123	19065	0	15965	12197	13449	14084	9451	0	16399	7905	6793	16084	11726	13440	13969	6817	20926	15308	5109	14705	12879	24065	2392	2628	5257	15535	12499	10460	9036	12068	0	8510	9481	3377	8022	7059	6175	4394	12055	7826	10063	12632	13294	21223	6096	15965	27439	10434	12242	0	13587	11602	5554	11178	9741	17396	11647	18861	7439	20939	7889	0	6808	20930	Phytochemical	0.55	1.3	0.1
12	C20 H26 O11 N2	471.16095	471.1616	-0.04844005	471.16092	977220	711082	973240	1003794	424380	328542	369108	1070578	859790	1944496	751740	581602	550752	167252	774740	509186	648852	550166	641892	1709154	1711876	1152904	544980	676274	278966	382980	340672	472730	862414	432194	510584	803008	572988	443676	2625856	468904	545876	716816	466770	910774	967490	309668	5392	0	0	1617318	1842976	0	765032	862490	659452	971240	548168	0	1075542	352890	452198	948766	696556	486726	591190	738210	739644	829596	261082	547830	333116	501114	467864	664446	740356	789640	484504	457826	333933	418942	0	457008	524136	482410	475480	1122006	385636	466468	450066	436784	423054	294352	308454	613668	438302	932272	763387	860138	1273134	0	1032784	736400	417378	378976	359032	619396	617200	545194	836692	484092	397486	0	354152	736218	Phytochemical	0.55	1.3	0.1
16	C20 H26 O11 N2	471.16095	471.16168	0.119666554	471.16098	79960	101068	89704	77132	45332	58784	62404	146964	74103	72388	24280	66344	94700	18316	113688	76884	63560	93812	106012	96800	74156	112404	98168	104904	77144	5313	51812	0	119184	83608	106520	93216	117720	98183	134924	93036	113744	85012	68818	92572	55368	63216	0	0	0	130656	64208	0	105888	105952	81620	76420	56104	0	94684	27664	45148	79472	147280	50148	74364	72441	68428	55052	36428	73760	74396	48932	18932	36842	23076	124444	95840	121772	46280	81059	0	178264	58992	33336	50444	66159	56688	42804	39856	36960	50824	42600	77012	0	67512	123300	142940	57912	55368	0	107584	96324	37340	30519	21992	96596	60528	114064	67984	153728	36136	0	68048	132156	Phytochemical	0.55	1.3	0.1
14	C25 H26 O9	471.16495	471.16562	-0.036631986	471.16495	55047	72687	52953	58137	31282	20092	41030	50710	43450	129738	91112	33870	41489	29431	32952	51604	35764	35610	39971	108824	92451	59659	40665	57573	27636	116388	33945	69533	36977	44382	44634	40654	39135	31764	126727	42526	41724	39151	41199	68514	94558	24876	0	0	0	61513	82732	0	47265	42918	61995	62437	31556	0	35190	30880	24372	58083	51630	50013	59513	45873	52842	32753	23542	36694	26027	45952	118016	127451	157414	32945	35083	39009	35106	47117	0	30979	57829	35083	46134	48497	35149	57311	47821	27958	46305	27328	30291	75706	39974	38478	44439	40152	43520	555	56912	54182	41443	43579	30683	44502	35435	53560	48451	37220	33753	0	39161	40292	Phytochemical	0.36	1.04	0.0
26	C25 H26 O9	471.16495	471.1655	-0.07666928	471.16492	23996	26692	24877	23704	36124	18493	3563	6795	36727	67420	36206	7112	63704	25834	13265	9574	0	35089	43801	61371	60838	41071	16496	16882	7623	78007	4539	33799	9057	7345	8227	5894	12591	5496	78928	7189	14606	9666	7513	36667	39475	11639	0	0	0	35714	32695	0	9998	7289	28092	25585	21804	0	39935	39599	13066	11231	10493	5427	11961	21906	53349	31257	10603	40368	17797	8577	82923	103149	119632	7615	6566	0	0	6300	0	8847	24143	26840	19252	21241	6269	26973	52627	17763	23219	10494	9689	8704	12237	12578	20436	28570	53102	0	26483	27906	31216	46729	40710	9520	6229	11053	15747	8732	29598	0	7555	55850	Phytochemical	0.36	1.04	0.0
12	C25 H26 O9	471.16495	471.16565	0.013212046	471.16498	28322	20218	20195	24690	10691	5489	19697	22977	12377	28671	28863	10598	8410	6345	10729	27474	22346	8613	13848	35043	24473	18103	18414	20752	9663	34039	18058	13871	9342	12444	17139	18932	15523	12506	30234	15651	13644	13450	27303	21466	42431	7126	400	0	0	22433	26900	0	15065	20523	15962	26651	10228	0	12469	8270	8100	21591	14885	26454	21363	19037	14815	6499	8180	10476	5766	20548	34895	35767	54454	13025	10518	15828	20918	20205	0	10590	25078	0	18114	16525	11656	19674	11449	5675	17615	8327	6586	26851	14826	11922	16499	12761	21237	0	27530	23330	12666	11241	11264	17414	7965	23026	0	18249	8609	0	16613	12875	Phytochemical	0.36	1.04	0.0
24	C25 H26 O9	471.16495	471.16547	-0.062043913	471.16492	69715	59157	60708	59276	77979	43899	16447	23831	82645	162083	90203	20133	117165	44880	31306	35274	13664	80891	86547	128345	134924	71077	35863	36549	20126	179542	13726	80094	19864	16640	21276	17318	28494	19624	193432	17580	31381	25366	16863	91622	77434	21804	2332	0	0	75229	74850	0	21358	17022	59737	58498	49269	0	81095	69399	30401	29928	24470	19016	29934	61210	118527	70304	28061	85660	42151	16665	164948	227277	236327	21799	16025	12431	12827	18796	0	19223	57423	45389	47811	54836	20130	60519	93735	46580	50901	22974	32896	22944	33072	34565	38211	62455	85150	0	60143	60015	67999	83002	86376	19368	15784	35105	50254	25918	64766	0	26231	113728	Phytochemical	0.36	1.04	0.0
22	C25 H26 O9	471.16495	471.16553	-0.048321027	471.16495	139922	130825	133182	151635	166301	99090	40644	78842	182349	438064	246115	50040	194779	107656	71196	75508	39461	193331	157262	323459	333489	164407	79815	106015	78375	387140	36345	197010	60431	47845	54233	57045	92075	63859	460030	53687	93846	54388	52498	207179	182048	60293	5221	0	521	180268	149057	0	69858	68578	136274	142822	106890	573	176121	134505	74455	84918	69494	51881	83156	151647	202739	129082	65807	159473	95792	56601	317951	526651	492877	78978	56381	57928	38808	66548	471	60648	130440	96689	95995	120556	56268	164063	171844	91485	122251	73052	76708	60487	87231	103541	104384	131867	169206	0	122862	135625	146074	152648	130830	68750	62288	76327	122413	73778	134329	0	69553	223047	Phytochemical	0.36	1.04	0.0
28	C25 H26 O9	471.16495	471.1655	-0.0715827	471.16492	12881	12274	12154	11314	16001	8161	3197	4899	20336	30130	16471	3769	31220	11504	5669	6492	4439	16646	17429	22518	30818	17001	6231	6476	5277	35154	3199	15036	3425	3081	4331	3495	3872	4025	36792	0	6136	3827	4491	12009	16995	7017	0	0	0	11028	14248	0	4353	4800	10999	11863	11439	0	17324	15283	5722	6847	4370	2971	9444	10069	27413	14102	5387	23117	7899	3910	40961	55821	59726	5055	2569	2408	0	2710	0	3453	14504	13662	11557	8752	3445	9862	21710	8697	12041	7252	5412	5374	4376	9351	5637	15876	17379	0	11870	11355	10921	21113	22274	6485	3277	7063	8256	4515	11492	0	5228	21064	Phytochemical	0.36	1.04	0.0
16	C25 H26 O9	471.16495	471.16556	-0.036409013	471.16495	108861	121366	106530	108908	84585	60159	58261	79257	97845	240258	157730	61256	105328	57575	67074	95522	63709	88247	107252	223216	217889	121312	87221	88394	61694	276272	57361	121569	59631	66156	76895	83725	82173	58713	296243	71456	86896	65967	84843	155719	161661	47313	2732	444	0	112233	135800	607	87747	65509	117386	119537	65596	0	86162	77725	53353	89772	69446	57723	107982	99640	101984	82331	39810	91853	59222	72894	233104	328887	338843	75278	75807	69441	67013	79352	0	54939	118339	82018	84144	111670	72095	122734	101474	53331	93380	53866	57303	116295	84420	88464	109217	96211	118533	711	105764	104734	89516	83772	88318	76909	60133	89537	81175	99479	85863	0	74751	96446	Phytochemical	0.36	1.04	0.0
24	C22 H30 O9 S1	471.16833	471.16882	0.3073107	471.1685	13380	14278	6655	7393	3177	12072	3530	8349	3098	13050	3678	8776	7417	1444	7644	7384	5163	17726	20822	20774	26386	17306	6013	8716	4204	5717	3165	2921	7342	12612	10354	3665	15488	4474	22734	14278	10018	2837	11002	15106	4179	3300	0	0	0	11252	13227	0	15432	5646	17838	5745	4772	0	3802	3715	2393	6538	6951	3225	10614	15602	2947	8796	3293	3508	6229	4809	6306	12029	7169	5197	4456	5680	7140	8980	0	3642	3634	4424	6840	15688	10706	11732	5254	0	11340	3429	4694	9579	12582	26346	25120	2812	18690	0	7123	12862	2714	2538	0	10978	9656	19028	9647	6363	4004	0	13702	14452	Organosulfur	0.4090909	1.3636364	0.0
8	C24 H26 O8 N2	471.17618	471.17697	0.018283552	471.1762	13840	7831	7164	9632	5179	4487	4765	7115	5682	31694	10940	3502	8379	2636	3644	8939	3927	4383	8408	28765	29659	16738	2944	7027	5090	14734	2561	10655	7900	4619	5760	6202	6976	4194	30317	6971	7681	4568	7361	17991	20483	4301	0	0	0	12497	20755	0	7312	6723	12064	8597	4925	0	4725	4695	3369	6734	2513	5942	5141	9942	6806	5778	2865	5943	5952	6667	17205	30212	29497	4765	4279	3992	3880	6519	0	4415	5814	12527	5836	6570	4421	15596	3085	0	5366	3987	3879	11972	0	7330	12116	11425	25735	0	7727	8360	5033	4639	4400	7354	3724	9248	0	5361	4233	0	3575	4563	Phytochemical	0.33333334	1.0833334	0.083333336
14	C22 H30 O11	471.1861	471.18674	-0.047457356	471.18607	195084	211708	194878	200240	50009	51833	84372	131301	64990	342994	83433	61753	72452	32207	102319	105562	78402	146828	90035	140877	257736	121155	191500	122950	86337	44840	127992	68301	192716	118825	200000	155963	103681	94594	378576	120923	112920	176300	79643	99619	67546	56977	0	0	0	118783	85444	0	231240	105883	186096	173634	54019	0	94732	48033	40208	229906	150868	60154	120602	150450	67297	158390	36519	70022	106748	73003	40604	89461	54951	223666	199250	238326	71020	205630	0	164688	101226	58280	168270	68964	171178	65966	55219	50839	162594	45654	116498	77642	85504	178152	128347	69916	168148	503	205276	109521	48708	49468	48784	93827	138168	146758	103803	188662	47180	0	143906	73365	Lipid	0.5	1.3636364	0.0
6	C21 H30 O10 N2	471.19733	471.19806	-0.027224118	471.1973	11578	15820	11714	11619	5872	6038	7824	17632	8564	13301	4236	6957	10217	2794	8835	12260	5951	13000	12707	11036	9125	22189	9900	16502	8913	0	4028	3059	13005	12720	11871	17026	18120	10689	17072	13878	17185	8782	10480	11216	9042	6135	0	0	0	9767	5392	0	16794	10666	13172	13747	5647	0	14945	4466	4037	17827	12556	7523	12785	5845	13857	12064	2980	10749	7458	8359	0	2916	0	12326	10471	12519	2988	10451	0	9192	7081	0	6354	4724	8198	3663	4584	4526	9023	6645	7525	9335	16355	20537	23814	6240	11132	0	12271	12496	4324	5400	5613	16704	6767	19069	0	13837	5730	0	6507	15885	Lipid	0.47619048	1.4285715	0.0952381
16	C21 H30 O10 N2	471.19733	471.19803	0.051871598	471.19736	17122	17596	23451	13375	11623	12689	16362	35497	14115	15059	5959	10338	18635	4815	21520	21993	10867	21579	24726	24420	31756	29381	18637	29960	29488	0	10885	6378	31174	27979	28357	32485	33208	20042	21887	28752	31311	22069	10534	24327	3882	11253	578	0	0	20596	8198	0	28172	27522	14411	19989	13077	0	19065	7849	8285	27311	38973	9664	21691	12074	8558	9892	7628	14550	16937	9007	3046	4625	4390	32124	26126	30420	10934	25507	0	21671	13843	0	13225	13526	18854	8069	6327	10743	15179	10141	13313	0	27004	38496	54952	8762	10921	0	15347	20217	6548	2379	7695	30822	17017	24751	8306	34581	6251	0	19196	17471	Lipid	0.47619048	1.4285715	0.0952381
12	C21 H30 O10 N2	471.19733	471.198	-0.034430843	471.1973	22696	25774	31808	24578	8198	15709	26982	36627	14839	26506	6091	14499	14064	4882	33098	27643	18676	20158	32057	27156	26476	41022	29608	32058	28192	2612	12121	0	30824	25289	35036	30204	51625	29239	35962	41287	31332	27793	20084	29081	13112	14805	0	0	0	30234	10750	0	25331	33461	19097	19596	14399	0	26846	7622	10469	36813	45419	16257	23571	16147	14957	13570	8454	12100	16962	15316	0	6361	5285	26854	29974	32552	12920	24822	0	26933	18067	0	15121	16892	25982	12514	9299	14463	25008	13770	15757	22043	37073	49545	62480	11730	14923	0	19079	25324	6829	7873	5160	29409	22789	35699	0	34077	6533	0	20131	24295	Lipid	0.47619048	1.4285715	0.0952381
10	C21 H30 O10 N2	471.19733	471.19803	-0.060930382	471.1973	23293	25729	19726	20049	6542	10394	17514	29716	13911	18946	7827	14769	15001	3871	29304	25870	17918	16183	19810	21361	23142	35377	24340	31622	21914	2875	14565	5535	30755	24108	23815	26037	38186	19841	31961	21003	40061	21668	17715	20017	11472	9882	0	0	0	25025	12545	0	31282	27050	22866	22121	13071	0	22159	9347	7730	33679	32766	14528	30811	16512	13880	16942	5992	12600	12606	19245	0	5087	3723	27519	27348	25102	17116	25014	0	18461	16452	7293	14922	12959	19804	11323	9023	8668	20514	11810	15600	24543	26719	35482	60371	14052	13584	0	21452	22667	5066	4205	6668	27197	15289	27268	0	28080	7768	0	15570	16166	Lipid	0.47619048	1.4285715	0.0952381
24	C26 H30 O8	471.20135	471.20187	-0.041367505	471.20132	186625	173297	180986	172271	189569	122301	57334	121174	193927	399642	276770	73129	275581	117134	106031	137881	77384	195133	235672	421650	380260	179197	138644	146054	99499	518222	63527	242399	109903	90266	99796	107512	127510	107476	478816	102523	160367	88694	84066	265028	227240	82548	4851	0	0	196132	152687	0	115581	99040	170715	178732	142155	0	204829	182925	90626	132867	107147	69896	145199	176809	239988	167247	71398	208750	125165	84638	491251	745000	690627	120507	94696	85142	61694	95329	0	88594	187400	101014	144330	118315	81872	199293	215352	121221	168017	90473	111453	111557	135608	142999	188860	133098	177322	0	185245	171039	147131	181433	183062	117233	74665	135130	118011	125204	148932	2175	98966	233203	Phytochemical	0.30769232	1.1538461	0.0
26	C26 H30 O8	471.20135	471.20193	-0.06455353	471.20132	67871	63500	63296	61650	74453	41466	18710	40851	74021	110889	86036	27223	96889	52226	43456	49715	27281	78515	90813	121972	143564	54920	49463	52577	32085	187527	17024	80126	35466	30603	40202	33964	35927	36745	149650	35281	59211	30678	35512	90581	81924	30449	0	0	0	64008	63390	0	38159	37585	65400	61725	53016	0	89126	86281	34372	48442	33502	24338	54039	60721	91736	60325	24580	80938	43378	36440	201612	228642	270161	35813	31908	22372	22332	33199	0	25104	67216	42207	50963	38581	30825	68755	90175	47119	49586	40566	31997	36494	50513	42925	65791	45248	62521	0	58540	62650	52381	94763	84161	40178	27085	48121	41098	36192	60220	0	31623	83917	Phytochemical	0.30769232	1.1538461	0.0
22	C26 H30 O8	471.20135	471.20193	-0.024528945	471.20132	343290	350859	312334	356233	340913	227813	143654	270409	350992	740750	500895	160951	360063	237962	234017	274996	175026	367085	352846	772183	777880	342642	251850	307090	219617	1056176	132273	463985	230335	201296	217884	235313	265116	217376	832915	221712	288424	201988	181647	491464	399773	168400	6664	0	639	336156	273261	0	240341	218177	353856	345773	261171	1778	364558	296480	182698	266882	221551	160090	274101	321834	389939	281923	160674	334269	226760	180565	888846	1471907	1363575	237034	190375	185751	142854	215048	650	182496	343775	195927	260882	214633	185809	371015	346450	208499	312999	193131	203779	221559	297490	312439	341078	255946	341032	0	317439	350606	287599	333514	288197	258097	171346	280448	224202	243358	273741	0	202585	421618	Phytochemical	0.30769232	1.1538461	0.0
16	C26 H30 O8	471.20135	471.20197	-0.076707244	471.2013	119186	130668	115711	117806	92989	59665	87636	128179	96755	157569	119785	86749	89405	51707	96146	128274	114171	80369	107910	168556	170420	112433	102493	116331	83447	244592	83754	103958	95166	99374	109243	117196	109688	65963	169628	103735	102291	91013	135983	123770	149884	67790	1926	423	367	96676	117706	486	121556	115101	119318	131424	74698	576	90839	81923	65220	133614	78449	109201	131415	78492	94386	81380	53315	86210	71830	124606	192609	260406	305870	86165	93282	102397	109016	108322	0	70514	154737	86145	109310	93980	103137	97951	108785	57313	143837	54658	61496	228294	117443	104934	142398	79892	95041	934	113460	112098	87381	93985	98330	98890	75592	109336	65694	108089	94609	0	118731	86361	Phytochemical	0.30769232	1.1538461	0.0
14	C26 H30 O8	471.20135	471.20197	-0.11012326	471.2013	61450	62862	49778	55010	26884	16084	38521	51596	31066	51423	53881	40513	21484	17460	39080	56522	57470	18209	31197	71775	53366	52837	40761	60786	36162	69903	44754	37039	32052	40942	41015	53427	40200	28185	61603	43090	41797	39451	57257	41781	61177	26288	0	0	0	37462	49796	0	46220	52451	50232	47575	25820	267	25954	29756	25640	61855	39726	53271	37539	29696	30942	25648	19990	25151	23465	64251	82046	69285	110433	27731	36038	49165	50916	47758	0	30441	69850	33645	51061	34726	41995	31222	36987	21426	62346	20381	25102	96417	42405	37192	63004	27188	30041	433	45068	47467	28273	34181	30177	40527	36890	51507	0	40691	23129	0	56478	19374	Phytochemical	0.30769232	1.1538461	0.0
12	C26 H30 O8	471.20135	471.202	-0.103175715	471.2013	11381	22300	13988	23551	3642	4193	15485	14550	7036	11745	7983	12466	1938	4427	7833	16765	13900	2483	5911	14776	13055	18293	11240	19155	7096	20697	17585	10728	10319	17478	11771	11847	17120	6467	10458	15144	10639	13919	21633	10053	21033	8393	0	0	0	9244	18649	0	13491	15437	13926	13612	4408	0	5792	5363	5547	18256	14714	15812	22634	10843	4750	3449	4490	1264	3394	18311	0	17206	21546	8380	10146	15396	19785	10593	0	10271	17518	0	15358	11447	12884	10002	8633	7015	18501	3763	3901	32588	7644	10628	16579	7173	12117	0	18202	14153	6832	7674	9738	10116	10273	17842	0	14632	6093	0	13672	3916	Phytochemical	0.30769232	1.1538461	0.0
4	C20 H30 O9 N4	471.20856	471.2094	0.111800626	471.20862	2682	1919	1924	1906	882	1186	1040	2454	1056	0	0	922	2017	0	2355	2489	3103	1847	1195	0	0	2736	1916	3694	1817	0	1280	0	1661	2021	2009	2083	3523	1642	1241	2155	3473	1653	3338	0	0	0	0	0	0	0	0	0	2178	1872	2389	1822	737	0	2219	898	676	3304	1352	598	2938	0	1766	1288	0	1305	1116	2626	0	0	0	1638	1770	1475	0	1286	0	1974	2030	3993	1513	710	671	0	667	921	1762	1902	1398	4780	24932	12566	6972	2178	0	0	1806	2204	887	635	469	3251	1189	2333	0	3095	569	0	1700	2213	Peptide	0.45	1.5	0.2
8	C20 H30 O9 N4	471.20856	471.2093	0.09036413	471.2086	4755	2890	2706	3043	1310	1689	2064	3378	0	0	0	1927	1050	0	3089	5228	2024	1976	1977	1975	0	6290	2760	5095	4162	0	1993	2129	5978	2749	4635	3871	5984	4034	3126	4874	5953	1894	2873	0	0	1310	0	0	0	0	0	0	5181	2314	5121	2748	1094	0	1225	0	1089	5552	3113	0	4533	0	2979	762	0	2869	2310	4567	0	0	0	5501	3162	2523	3125	3937	0	1680	3366	3959	1544	0	1585	0	0	0	2139	1521	2513	6545	26637	14716	10050	0	1230	0	3815	3737	0	0	0	3355	2160	4758	0	5346	0	0	2859	1306	Peptide	0.45	1.5	0.2
2	C20 H30 O9 N4	471.20856	471.2095	0.042715456	471.2086	2496	1681	2796	1969	1033	0	1262	2373	1638	611	1775	2198	1975	891	1930	302	3217	1581	1916	0	905	2755	2074	2007	1207	0	0	10917	2271	1146	2953	2492	3980	2085	606	1250	3315	2448	4006	366	0	0	0	0	0	1112	400	0	2266	2220	2016	2397	1529	0	1885	685	560	2261	1025	710	741	302	986	1205	0	2511	1705	3986	0	0	0	2082	2900	1889	0	1226	0	1106	2296	22082	1610	0	762	0	946	1065	2227	2358	1899	5160	26970	13295	9896	2831	293	0	2034	2608	0	680	1209	1775	1478	1034	382	3950	825	0	1948	2143	Peptide	0.45	1.5	0.2
6	C20 H30 O9 N4	471.20856	471.20935	0.05785365	471.2086	4040	6689	3301	4641	1666	1336	3535	4060	2327	2675	1203	1927	3065	937	5085	5726	3717	2183	3494	0	0	4089	3338	7174	3169	0	3076	3424	4116	3813	5216	5312	5283	5589	2916	3564	8187	3298	4297	0	0	1450	0	0	0	2660	1471	0	4152	4286	3811	4325	1677	0	2846	1057	1488	6144	2826	792	5083	0	2044	1892	918	2665	2852	4583	0	0	0	4623	2431	3753	1396	3766	0	3058	3564	4439	1965	937	1211	0	1300	1360	4340	2563	2015	6937	38448	19877	14536	1999	0	0	3668	3497	524	833	1560	3981	2097	3473	0	5002	1407	0	3089	3577	Peptide	0.45	1.5	0.2
10	C25 H30 O7 N2	471.2126	471.21326	-0.07622015	471.21255	13068	13405	12811	12633	4181	5536	14709	21018	3388	23316	12410	10205	3909	1406	8995	14844	6250	3668	7383	36093	26093	9159	12244	16014	7577	13030	17331	15355	18277	17274	13647	24195	35762	15922	26473	19760	29628	9167	7738	22694	10909	7834	0	0	0	14426	11251	0	25573	21123	12439	12196	4449	0	3444	2240	3289	12658	0	2364	19381	10201	1530	5916	2650	5179	8745	10074	12470	22640	18999	17455	19302	17136	16848	20593	0	10180	10906	8349	12023	5600	5123	13576	1695	3776	8553	6949	4942	12266	15311	9832	16685	8564	18326	0	15320	11527	1783	2229	2174	23676	10815	18471	0	13979	1459	0	11473	3437	Phytochemical	0.28	1.2	0.08
12	C23 H34 O10	471.22247	471.22327	0.23838298	471.2226	9280	7926	5712	5662	1779	4873	10566	12290	2310	5944	0	5006	3259	1948	9908	11150	9558	4023	2273	5187	3633	5471	6776	10811	10203	0	7490	0	15857	10798	9261	13739	8401	6483	5669	12819	11139	7554	13024	3843	0	5023	0	0	0	6795	4593	0	13531	9315	9144	7442	4992	0	6276	1928	2598	8700	6417	0	0	0	4282	3733	2117	2068	3829	11798	0	0	0	8680	9259	14095	10524	14358	0	9134	7221	32243	6507	5205	6125	3191	1593	1513	9724	3544	3375	8634	22254	7622	9830	0	2695	0	8436	6268	2912	1935	3852	13997	7814	9131	0	9978	3314	0	6808	1739	Lipid	0.4347826	1.4782609	0.0
14	C23 H34 O10	471.22247	471.2231	-0.053754523	471.22244	16865	15240	16117	15846	6491	7966	19199	34554	7281	15242	6390	19809	8804	2991	21535	27663	23911	10582	13850	21056	8532	12111	19297	24332	18337	8271	17547	7657	28023	30215	23313	35693	27057	18431	15720	27019	21907	20713	24784	9595	7367	9349	0	0	0	10269	8236	0	31959	20631	18238	15862	7295	0	17930	7816	9910	27711	17996	10250	26661	6979	10068	9574	7229	8048	12074	21261	0	8791	4008	23144	25710	36840	28021	24117	0	17026	20305	0	14971	9033	19342	6261	10629	10739	17834	6125	11444	17356	23336	16598	33171	7249	11098	0	19241	17944	5347	9765	7678	26584	16333	23192	0	19362	7659	0	21518	8242	Lipid	0.4347826	1.4782609	0.0
24	C27 H34 O7	471.23773	471.23825	-0.0238697	471.23773	451833	478593	442751	463107	557291	290928	244631	371799	437786	713541	656729	225047	529377	274056	312442	417749	297501	461979	613186	901741	891343	430784	354217	433468	293309	1383301	241283	613562	332381	329871	317546	347747	421173	309141	915923	358262	487796	272458	318808	582631	521831	241952	9909	0	0	384881	327682	2170	367738	321867	447015	454347	393726	0	514598	406108	236579	412712	307966	229536	426681	386210	500285	410401	199124	439636	304848	325010	1183626	1624240	1660315	329707	305421	302434	246321	322854	0	261069	497071	284350	359392	259791	272555	436212	525392	291985	454080	251214	309633	331680	399147	415434	490369	319433	456129	2173	455379	462342	330765	464374	471289	438941	216934	444941	253312	365525	375228	2149	282694	503398	Phytochemical	0.25925925	1.2592592	0.0
26	C27 H34 O7	471.23773	471.2383	-0.036447372	471.2377	169053	164902	177843	172166	195771	102334	85288	165575	191818	242674	244357	87167	218451	130039	138900	157414	111069	187324	241611	355588	334101	158431	137358	169947	138211	548192	84328	244175	151515	142745	137065	132175	175530	112140	329257	145508	191118	115387	113323	214971	183454	115073	7173	5870	0	179397	126795	0	132482	138679	175100	167025	143852	0	222475	203058	97513	158412	125600	86886	160991	139960	190932	155347	69848	173796	140908	123130	504538	539195	599070	124611	117787	138999	95247	127524	0	102148	181667	123033	135216	95164	114407	179416	210948	122844	176512	103604	109725	115163	155917	154415	215195	129823	180737	0	166311	202638	130360	242040	227730	204804	87178	176448	109776	123894	155419	0	118958	177932	Phytochemical	0.25925925	1.2592592	0.0
14	C27 H34 O7	471.23773	471.23834	-0.08870541	471.2377	18236	14846	18013	14478	4401	3596	19882	18248	10040	4491	4659	20919	5904	4387	10877	23079	29764	2887	9572	9328	12188	10606	12753	14743	11494	10232	17458	12499	16049	18329	13463	20895	15446	5621	13083	13067	15830	14245	29428	5941	13841	4926	0	0	0	6475	11909	0	16300	16840	19285	17524	7290	0	12590	7208	8728	17470	8533	16790	0	4480	6057	10089	6124	5921	6387	33789	13991	15734	20363	9231	10893	14153	24653	12372	0	12458	21483	0	19114	9063	16166	10541	16104	10957	27699	4261	6491	25875	7029	8506	21266	8686	11868	0	17087	16765	9901	13918	13316	14567	10189	21237	0	13097	10756	0	21707	5116	Phytochemical	0.25925925	1.2592592	0.0
6	C21 H34 O8 N4	471.24493	471.24564	0.17167594	471.24503	1275	1018	1988	863	618	768	604	2138	0	0	0	454	774	0	1168	0	0	674	1467	0	0	1197	681	1323	1728	0	880	0	933	894	1209	1146	2295	1151	759	1083	1101	795	0	0	0	0	0	0	0	0	0	0	0	0	0	1102	0	0	0	0	0	2122	0	0	0	0	642	0	0	0	0	0	0	0	0	846	0	1789	0	0	0	658	0	6442	0	0	0	0	670	0	0	0	801	1798	35180	25820	4083	742	0	0	941	1620	0	0	0	1644	0	0	0	1231	0	0	1359	718	Peptide	0.3809524	1.6190476	0.1904762
8	C21 H34 O8 N4	471.24493	471.24585	0.22186242	471.24506	1105	1426	0	1748	0	1391	739	0	2670	0	0	0	0	0	1330	0	0	1262	0	0	0	0	922	1089	1325	0	797	2253	1234	0	0	0	1307	925	0	0	1450	703	0	0	0	0	0	0	0	0	0	0	1334	0	1171	0	0	0	0	0	0	1817	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	834	0	0	0	0	0	4198	0	0	0	0	0	0	849	0	0	1144	45893	20844	1687	1758	0	0	1312	0	0	0	0	1693	0	0	0	1636	0	0	1190	0	Peptide	0.3809524	1.6190476	0.1904762
10	C21 H34 O8 N4	471.24493	471.24567	-0.012186516	471.24493	0	0	0	1129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	894	0	0	0	0	0	1338	0	0	0	0	1393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2487	0	0	0	0	0	0	0	0	0	0	0	0	5051	0	0	0	0	0	0	0	0	0	1760	57810	15011	2243	1773	0	0	0	0	0	0	0	0	902	0	0	0	0	0	0	0	Peptide	0.3809524	1.6190476	0.1904762
2	C28 H38 O4 S1	471.25635	471.25677	-0.31986848	471.2562	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5457	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25927	0	0	0	0	0	0	0	0	0	0	1715	753	0	781	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14285715	1.3571428	0.0
18	C28 H38 O6	471.2741	471.27466	-0.15846439	471.27405	20755	25293	23176	20793	33072	10546	34383	17802	23518	8903	14665	20505	13995	19042	23277	35823	53500	9561	29081	14518	13700	17888	22480	26016	24127	17568	40974	16031	18188	23506	19696	25391	24686	12255	10982	30430	27841	26089	61507	6415	16766	12587	436	0	0	6260	13371	0	22301	24306	28412	22671	19367	0	30246	40584	29277	27461	14190	27269	23981	7980	24667	22044	17468	17580	16455	79707	11980	16680	28283	8938	12606	28374	45599	27586	0	21589	49342	19967	39345	15958	23266	7200	62280	32528	40857	14753	16305	48592	20129	23297	27531	9135	10180	0	24951	23064	23671	62358	59630	26258	18515	25879	10769	19595	35396	0	30894	13688	Lipid	0.21428572	1.3571428	0.0
6	C22 H38 O7 N4	471.2813	471.28207	0.16593012	471.2814	1148	1255	1383	0	0	811	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8359	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1075	731	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	128972	0	0	0	0	0	0	0	0	0	0	102376	36818	0	7062	0	0	925	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.7272727	0.18181819
10	C22 H38 O7 N4	471.2813	471.28183	0.008981477	471.28134	9255	11432	10445	8380	0	4865	0	0	0	1856	3571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56539	0	0	0	0	1382	1186	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10157	9993	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	291056	0	0	0	0	0	0	0	0	0	0	1275313	481441	0	33643	4697	0	10389	6157	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.7272727	0.18181819
8	C22 H38 O7 N4	471.2813	471.282	-0.015549372	471.2813	15862	12154	13568	12901	0	39396	0	0	0	0	8056	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	108395	0	0	0	0	1641	0	0	0	0	0	0	0	0	928	0	0	0	0	0	0	0	0	17944	15638	785	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	671561	0	0	0	0	0	0	0	0	0	0	1585808	827784	0	64630	9463	0	17344	14643	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.7272727	0.18181819
12	C22 H38 O7 N4	471.2813	471.2821	0.14728042	471.2814	4991	4961	4549	4998	0	1000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23550	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3839	3232	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	74688	0	0	0	0	0	0	0	0	0	0	665644	364824	0	12653	0	0	3861	3369	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.7272727	0.18181819
14	C22 H38 O7 N4	471.2813	471.28137	0.118497476	471.28137	0	1991	0	1993	0	0	0	0	0	2012	4322	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	358	228	0	0	422	0	0	0	1596	0	0	0	0	0	0	14806	0	0	2055	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22261	0	0	0	0	0	0	0	0	0	0	252107	77856	0	0	0	0	0	0	0	0	0	0	0	0	25166	0	0	365	0	0	Peptide	0.3181818	1.7272727	0.18181819
16	C24 H42 O7 N2	471.3065	471.30737	0.10415939	471.30652	37404	38583	37671	42246	0	0	66342	8178	0	35115	301044	45378	0	378039	10425	42168	9918	0	0	79392	22635	0	29034	15828	39429	667040	550746	271857	0	18666	0	0	0	0	0	7539	20721	56517	0	0	0	4254	0	0	0	7086	89583	0	0	87570	27288	38043	5391	0	0	11253	35850	29967	0	0	561468	3699	0	0	662811	0	12708	53136	946656	152340	113682	0	0	10848	26463	10743	0	0	7323	131184	23439	0	0	17613	0	0	4851	38505	0	141978	45549	0	135246	29454	58779	0	34470	40218	50307	0	0	71475	12528	18786	66330	0	0	0	12825	0	Lipid	0.29166666	1.75	0.083333336
20	C29 H42 O5	471.3105	471.31104	-0.06990799	471.31046	5308	8745	8987	7995	6466	4289	15638	8410	10958	0	1457	8545	6108	9167	9701	11807	42240	1672	5000	0	0	3305	3721	5503	8119	0	16961	3066	7821	11221	7206	13226	9512	1776	1927	13058	7589	10151	45264	0	3094	4033	0	0	0	0	1827	0	10135	11050	6216	6687	7095	0	13795	12607	6930	9764	4502	7106	3588	1481	4805	4988	12855	3194	6913	49694	0	0	0	1347	4975	9955	33022	11656	0	5894	12085	3126	8389	1977	4644	0	13035	14093	23768	6388	4725	56863	9460	4509	9010	2988	3206	0	7624	9766	10709	25468	20648	15882	5849	4537	0	5339	15328	0	15542	0	Lipid	0.1724138	1.4482758	0.0
16	C25 H43 O1 N4 S1 Na1	471.3128	471.31326	-0.2893979	471.31265	0	0	0	0	0	0	0	51053	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2066	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13767	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22333	0	0	80177	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.04	1.72	0.16
16	C22 H46 O10	471.31638	471.31693	-0.26235953	471.31625	0	2093	0	0	0	0	0	0	0	3506	3993	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2368	0	3902	0	1977	0	0	3282	3345	0	0	0	0	1419	3255	0	2250	0	0	0	0	1016	0	0	0	0	6740	0	0	0	0	0	0	1848	0	1325	0	2054	0	1333	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1297	0	0	4315	2104	0	0	0	0	1798	0	0	0	0	0	0	2965	22388	0	0	0	0	0	Lipid	0.45454547	2.090909	0.0
18	C22 H46 O10	471.31638	471.31693	-0.13705152	471.3163	4969	2731	3832	3728	2823	0	0	0	0	10138	9821	0	1927	0	0	1915	2181	2244	0	0	0	3860	0	0	0	0	0	0	0	0	0	0	4010	0	6546	0	3256	0	2910	6429	7883	0	430	0	0	2792	6623	0	1793	0	6587	2660	2074	6425	0	0	0	0	26985	1823	1719	3573	5035	0	0	0	0	2897	0	1423	2104	1989	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6328	0	0	0	5427	0	3622	0	0	3841	0	0	0	0	4600	0	6887	102607	4675	0	0	0	2306	Lipid	0.45454547	2.090909	0.0
26	C26 H46 O7	471.33163	471.33176	-0.054674406	471.3316	1923	2223	2703	0	0	0	34978	8889	0	0	0	15189	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47940	2465	7193	22656	11964	0	1568	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11773	11931	0	2527	0	0	0	0	0	3421	0	0	0	0	0	0	0	0	0	0	0	0	0	4561	0	0	10463	8584	0	11962	0	0	0	0	2992	2597	0	0	0	0	0	0	5891	5012	0	0	0	0	0	0	0	0	0	0	11170	6494	0	0	0	0	0	0	Lipid	0.26923078	1.7692307	0.0
28	C29 H46 O1 N2 S1	471.34036	471.34085	-0.20583643	471.34027	0	0	0	0	904	1164	0	0	0	0	0	0	0	0	0	2446	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17011	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.03448276	1.5862069	0.06896552
22	C30 H46 O4	471.3469	471.34735	-0.11429504	471.34683	4638	4303	4282	3456	0	1190	14482	9463	0	0	0	7402	0	0	7699	11695	56512	0	0	0	0	0	3226	0	9312	0	14173	0	6814	19665	9956	10514	9599	1573	0	15175	2876	7715	53595	0	0	2055	0	0	0	0	0	0	5359	18303	5649	4492	1392	0	1569	1860	4169	7876	0	1153	4734	0	0	0	5660	0	2679	64286	0	0	0	1856	1658	17410	26014	9135	0	6029	10410	2680	6169	0	1917	0	2244	6288	15286	0	0	31627	0	0	3419	0	0	0	0	4453	1846	1413	5357	12652	7489	1437	0	4417	3423	0	10790	0	Lipid	0.13333334	1.5333333	0.0
16	C24 H46 O5 N4	471.3541	471.35495	0.1650997	471.3542	0	0	0	0	0	2993	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23230	1705	1616	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2573	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2978	0	0	0	0	1751	0	80568	0	0	0	0	0	0	0	0	0	0	152450	52405	0	3405	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.20833333	1.9166666	0.16666667
20	C29 H46 O3 N2	471.35812	471.35867	-0.11185535	471.35806	0	0	0	0	0	0	0	0	0	0	0	56327	0	0	1703	0	0	0	0	0	0	0	0	0	0	0	0	0	3003	10174	0	0	0	0	0	0	0	2276	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45117	0	0	0	0	0	0	0	Lipid	0.10344828	1.5862069	0.06896552
24	C27 H50 O6	471.368	471.36838	-0.025443103	471.368	0	0	0	0	0	0	0	0	0	0	1956	2127	0	0	1359	0	0	0	0	0	0	0	0	0	0	0	0	6790	0	30140	0	4897	0	1950	0	2649	0	3198	0	0	0	0	0	0	0	0	0	0	6606	0	0	0	0	0	0	0	0	1463	0	0	1146	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2159	0	0	0	0	0	0	0	0	1849	0	0	0	5208	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7587	0	0	0	0	Lipid	0.22222222	1.8518518	0.0
12	C22 H17 O11 N1	472.08743	472.08823	0.055921614	472.08746	0	0	2514	2253	5506	1575	0	0	7575	11215	8248	0	10081	1278	0	0	0	5432	3941	3121	10383	25774	0	0	0	1337	0	0	0	0	0	0	0	0	25229	0	0	0	1711	4660	14455	965	0	0	0	4804	14447	0	0	0	2110	0	1812	0	6392	6984	1701	0	0	0	0	4969	13243	6103	908	9395	1987	0	0	3933	10321	0	0	0	0	0	0	0	2190	0	1491	5089	0	1341	9388	2959	0	1186	1148	4123	0	0	1884	26806	13096	0	3215	0	6937	8593	8632	0	0	2273	0	0	3246	0	0	12881	Phytochemical	0.5	0.77272725	0.045454547
26	C22 H17 O11 N1	472.08743	472.08798	-0.028014377	472.08743	6324	5856	5039	4276	6531	3600	0	0	7247	16730	2257	0	17063	3546	0	0	0	12023	7546	0	10690	22855	0	0	0	0	0	0	0	0	0	0	0	0	13887	0	3490	3028	0	6289	7104	0	0	0	0	6720	11317	0	0	0	4592	6206	6312	0	12793	0	0	2664	0	0	0	5453	15494	9863	0	6605	2822	0	0	2880	3838	0	0	0	0	0	0	0	4997	7337	4231	5302	0	2306	8414	0	4161	0	0	0	1434	1972	0	18984	27123	0	5486	6662	2701	5974	0	0	0	0	0	1765	0	0	0	16434	Phytochemical	0.5	0.77272725	0.045454547
16	C22 H17 O11 N1	472.08743	472.08807	0.050914586	472.08746	8213	8162	9409	10638	20396	4308	0	0	20401	53180	24115	0	27186	4360	1841	3357	1755	18771	14731	20883	34565	54798	7504	2340	0	4538	2506	4925	0	0	0	0	2729	0	57358	0	2649	2054	2038	21569	32729	5416	351	0	0	16676	40515	0	0	0	11717	11358	11098	0	20525	22365	6691	2829	2333	3463	0	14951	46777	16017	3946	19044	4874	1912	16107	13085	16932	0	0	0	0	1602	0	2462	10314	42364	6768	20107	3400	9705	22666	6689	10863	4732	7403	0	5068	6948	0	62362	66293	0	10187	12906	15101	22660	18306	5162	0	1584	22065	0	12427	0	1406	30974	Phytochemical	0.5	0.77272725	0.045454547
24	C22 H17 O11 N1	472.08743	472.088	0.001907102	472.08743	2460	3857	4317	4853	4564	5811	1188	0	10296	15907	2418	1018	20000	2268	2388	0	1627	13841	16556	5694	13738	20299	3029	1289	4048	1681	1730	1444	0	0	0	0	1387	0	19772	0	2440	1794	0	6856	7559	0	0	0	0	9608	17122	0	978	0	8619	5670	6319	0	11689	7067	3774	0	2192	1558	2301	5992	15179	9924	2550	7705	3081	0	2777	3672	2257	1176	0	0	1228	0	0	0	5846	13315	3649	12364	0	2664	12227	4846	5227	4860	4264	3245	0	2837	4758	31321	40399	0	4066	3635	6485	7985	7763	0	881	1802	9220	1415	4169	0	1457	17410	Phytochemical	0.5	0.77272725	0.045454547
18	C22 H17 O11 N1	472.08743	472.08804	0.003756306	472.08743	20259	14912	20183	11201	17233	5828	1333	2435	21462	48304	25511	1101	32869	6208	0	0	1528	20090	23094	26524	43023	52446	5296	3511	1636	5344	1245	5250	0	1371	1842	0	4159	0	58540	0	4641	4325	1720	23372	37260	7269	541	0	0	23224	44271	0	3059	0	14631	13378	9094	0	28970	19702	6754	1165	4558	2574	5410	24632	49058	21939	6082	26283	6103	3593	8108	11107	16626	0	0	0	0	0	0	1869	12781	40559	8063	27512	4321	9662	22936	9929	9275	6470	6948	4663	6252	6963	9200	58696	77586	0	14494	14011	13717	23712	17156	3230	2377	2611	20226	2336	14890	0	3263	33924	Phytochemical	0.5	0.77272725	0.045454547
14	C22 H17 O11 N1	472.08743	472.0882	0.024003282	472.08746	7040	6261	3905	6914	8567	4340	0	0	16274	31775	14664	0	21013	3665	1426	0	0	12801	7122	14773	26587	29970	1841	0	0	5599	0	0	0	0	0	0	0	0	38587	0	0	1752	2492	13422	23465	2581	0	0	0	10514	33115	0	0	0	4889	7821	7193	0	14702	10628	2150	0	0	0	0	14299	30251	15599	4351	18845	2708	1467	0	6656	13198	0	0	0	0	0	0	0	4908	15023	2242	9967	0	4912	8491	4463	2090	4106	2936	0	4095	3757	2284	46007	31746	0	7438	3454	9123	15802	11456	0	0	3250	0	1699	8599	0	0	18868	Phytochemical	0.5	0.77272725	0.045454547
22	C22 H17 O11 N1	472.08743	472.088	0.001507481	472.08743	8283	9193	8278	8997	13754	8089	1719	1408	16234	18004	5138	0	21057	4566	2135	1784	0	18131	10291	11888	18706	36522	4892	4850	0	1720	0	2641	1726	1437	1026	0	3273	0	24093	0	1575	1998	0	11679	13887	4309	0	0	0	17004	28131	0	1767	0	5059	8348	9245	0	14023	12880	4536	3547	0	2094	2278	8270	21958	13151	2392	14019	5057	2014	3394	1890	6593	0	1397	0	0	0	354	2755	10891	21921	5862	13151	1263	8548	13551	10374	6562	3977	5679	3411	0	7170	4020	35701	50570	0	9007	4639	7840	10651	9240	0	1437	2913	15095	4029	11480	0	4597	25807	Phytochemical	0.5	0.77272725	0.045454547
28	C22 H17 O11 N1	472.08743	472.08792	-0.057040326	472.0874	3586	5357	6746	5985	5355	5456	1174	0	9106	16684	2782	1630	11874	2719	0	0	0	12546	8904	5801	10483	18817	3363	0	0	0	0	1205	0	0	0	0	2546	0	16030	0	1089	1712	889	4455	7374	0	0	0	0	9748	17478	0	0	0	4736	4635	5691	0	12167	5033	1954	1177	0	0	1739	4065	16969	7283	2201	6493	2845	0	4389	4212	4256	0	0	0	0	0	0	1128	7865	14264	4085	7287	1504	1599	9774	2980	3901	4184	3313	1324	994	2513	4917	19391	31845	0	6675	4864	3283	6223	4204	0	1188	0	7885	2524	5998	0	2244	15662	Phytochemical	0.5	0.77272725	0.045454547
20	C22 H17 O11 N1	472.08743	472.088	4.19977E-4	472.08743	10756	10870	9451	9143	16738	5629	2555	0	19824	36248	16316	3558	31402	7096	5704	4823	2389	21410	26350	19329	28465	49087	5090	6274	3264	3150	1702	6255	2166	1529	1245	1620	5445	0	46456	0	3730	2493	0	14715	20575	6680	1004	0	0	24498	34498	705	2195	0	9941	11697	12589	244	22042	12977	8602	4760	1968	3348	0	14894	38122	19725	5991	26047	10916	1544	5169	4530	10964	0	0	0	0	0	0	2431	12035	29506	7381	17976	2164	11290	16965	9378	11672	3861	6050	8620	4263	8978	7092	50193	48394	0	15139	10638	9076	16110	15215	3537	3066	5266	20236	0	11811	0	2930	27296	Phytochemical	0.5	0.77272725	0.045454547
20	C19 H21 O13 N1	472.10855	472.10922	-0.014285255	472.10855	7598	8982	12760	4251	19009	20278	3832	3356	29602	4143	6908	8099	36199	10064	7583	2287	1948	26962	26008	7443	18261	13248	9709	4920	1518	0	0	0	2413	2925	0	3058	4276	1339	9301	3584	4429	4974	2415	3611	19157	9734	1095	0	783	33332	94420	474	2686	3169	8638	9811	13396	0	26544	18641	8555	3988	4797	5943	4300	18841	27415	26530	11043	14427	10555	1770	14793	1975	9845	0	4528	4755	4735	2805	582	7027	5232	14211	4985	36151	1379	0	28084	8019	3456	9276	11314	2867	0	7205	8356	18616	8444	603	10395	12108	20680	15279	19134	5249	7263	4081	76384	5337	24534	0	0	40950	Phytochemical	0.68421054	1.1052631	0.05263158
10	C19 H21 O13 N1	472.10855	472.10934	0.0830885	472.1086	16229	14907	16196	15671	36347	12617	4440	8500	40490	18480	20006	12312	63845	8820	12307	11816	15573	47396	47664	28109	41806	39429	22649	9829	1692	0	5306	0	4757	7675	5737	5317	11097	6145	28417	5145	9555	8595	11561	12222	36390	24139	757	0	0	23711	69670	0	5317	9908	21359	23818	20023	0	47418	50389	16684	4689	4226	14127	11346	20519	65999	48248	21405	38111	17423	19185	11056	3025	9749	8602	5666	6692	11173	4021	0	9336	12711	23592	10915	20851	1961	2772	57332	19233	7141	20464	16270	13159	0	3294	10605	41256	36877	0	16500	24617	38149	37835	49646	18105	9497	7620	58405	12954	41412	0	2271	58663	Phytochemical	0.68421054	1.1052631	0.05263158
26	C19 H21 O13 N1	472.10855	472.1092	-0.09123407	472.10852	3480	3406	5327	3254	8120	10165	0	0	11577	5105	0	0	10063	0	0	0	0	11586	5422	7323	14805	6372	0	0	0	0	0	0	0	0	0	0	0	0	3706	0	0	0	0	3502	8212	0	0	0	0	21506	64847	0	0	0	3372	5266	5296	0	7612	0	0	0	0	3667	0	11813	8999	5907	0	5718	2749	0	7744	0	7385	0	0	0	0	0	0	0	0	0	0	23553	0	0	8399	0	0	3459	2415	1707	0	0	0	4070	0	0	5091	0	9591	2007	0	0	0	0	33391	0	5692	0	0	19211	Phytochemical	0.68421054	1.1052631	0.05263158
8	C19 H21 O13 N1	472.10855	472.1094	0.12890844	472.1086	8198	7687	7045	9467	13533	5562	1367	1710	17539	7999	9268	3768	27482	3054	3334	2865	7522	18066	17162	6409	15784	16410	8225	4254	820	539	1662	0	1610	1846	2341	1142	5686	2704	10350	1779	3843	2371	4853	4380	11400	10150	0	0	0	6785	21277	0	1036	3918	7413	7384	8633	0	21050	22204	6302	3487	1801	5765	4028	6400	35424	23168	9681	15415	5934	5243	3673	0	0	2795	2228	2731	4016	2376	0	1846	4937	0	3765	4295	854	757	21576	8510	4009	9863	8569	5482	0	0	2913	14742	11576	0	10089	10624	18572	20481	24963	7080	3596	4612	0	4038	15626	0	2196	24252	Phytochemical	0.68421054	1.1052631	0.05263158
28	C19 H21 O13 N1	472.10855	472.10916	-0.03531352	472.10855	8388	5579	8223	6399	11815	11265	0	0	10675	8988	4748	3554	11346	3215	3048	0	0	14213	7525	14383	20843	4890	4552	2368	0	0	0	970	0	0	1358	838	2958	1464	10469	0	1646	1926	0	7156	15140	3982	0	0	0	21250	63920	0	2195	2477	6634	3945	9553	0	8890	5206	1850	0	3509	3356	0	12136	9372	7700	2760	3821	3990	1039	9916	5344	10397	1848	0	2555	2347	0	0	1950	2439	7974	2022	22556	0	0	9230	2129	1407	3120	4503	1220	0	0	0	7861	4710	0	4660	6370	13304	2904	2856	2313	1832	0	39224	2923	10307	0	0	15015	Phytochemical	0.68421054	1.1052631	0.05263158
12	C19 H21 O13 N1	472.10855	472.10934	0.07794102	472.1086	26105	29176	26350	30913	48277	30685	11216	17523	74074	18660	40324	26427	100470	15950	23463	10969	23250	72335	80665	34225	74353	69982	32982	15499	3738	0	6396	0	12484	9119	8811	6161	20847	12503	36660	10595	13099	19796	17313	19508	51437	36128	1469	0	0	47662	142552	0	6376	13024	32445	25521	36172	0	85965	76271	26399	10076	15317	27814	0	39262	116961	73239	24700	65013	33573	22245	0	0	15420	13668	9759	11231	11963	8432	212	21963	19171	42666	20917	48578	4123	5558	83565	31276	18096	27347	28560	23340	3150	8743	25858	90403	38550	0	30173	41353	83066	55527	75930	26033	18095	11067	89292	17488	67610	0	6476	95565	Phytochemical	0.68421054	1.1052631	0.05263158
12	C23 H21 O10 N1	472.1238	472.12454	-0.004304023	472.1238	12779	10868	13975	10769	12913	5212	0	2660	19532	72984	36948	2847	24229	6585	2566	3209	3276	15847	17439	35365	44716	41321	6911	6474	4218	25818	3544	24976	2897	1363	2870	0	8607	2662	98463	1623	4639	4964	4787	34673	43807	3672	0	0	0	25951	50785	0	3427	1352	15385	12393	5865	0	19931	13748	5754	4178	0	0	0	31858	30327	20260	5630	21334	6872	0	41465	51178	63242	1364	2113	2049	1947	893	0	4274	9145	0	6662	21058	3395	19774	14199	8186	9936	5348	2995	10673	7611	9827	11796	48590	39152	0	17716	14202	19678	16950	15282	3332	2762	5070	32766	3667	14011	0	3620	31559	Phytochemical	0.4347826	0.9130435	0.04347826
24	C23 H21 O10 N1	472.1238	472.12436	-0.09568068	472.12378	7903	4541	8584	9487	7098	9288	1238	2212	7424	35446	9095	2173	16986	2968	6480	2292	1908	7451	11694	8985	19634	24805	5239	1882	3850	6321	0	4249	0	0	0	0	2827	1999	38876	2001	1128	4658	2546	17042	18252	2196	0	0	0	14617	20514	0	1870	1590	7265	6972	6117	0	12286	4618	4047	0	2681	2797	3072	10564	15389	10949	3291	8725	4823	1458	12242	14100	17180	0	0	0	1506	1418	0	1575	3435	22515	4168	16095	1977	7707	12720	6862	3690	4220	2302	0	0	5117	4517	31170	38866	0	7902	7512	5715	7134	6879	1928	0	2499	14701	3240	8336	0	2342	18432	Phytochemical	0.4347826	0.9130435	0.04347826
20	C23 H21 O10 N1	472.1238	472.1244	-0.026724773	472.1238	27514	28105	32222	25259	27504	20794	6035	4650	32567	130062	57194	4866	53155	14542	6434	11907	5656	42231	33518	67930	88745	82232	11470	9795	9688	48752	3842	36808	5844	3176	5388	4273	7957	4277	152238	2992	13758	9405	5395	60013	59136	10735	735	0	0	66581	67856	499	6135	4233	32809	34479	18671	0	40288	25111	11487	9680	11978	5925	9069	51515	49893	25973	13335	33293	20407	7013	46308	64058	65460	2602	3322	2262	1856	4830	0	4937	14492	56441	10895	44034	7427	41514	28073	18589	18869	13530	15599	12066	14514	27967	16764	83783	96717	0	30949	28729	25245	29382	27579	11773	4699	9784	52715	9686	17643	0	8504	54955	Phytochemical	0.4347826	0.9130435	0.04347826
16	C23 H21 O10 N1	472.1238	472.12448	0.004149045	472.1238	30579	43665	34032	36426	32318	17075	5281	5492	36718	170402	67133	3432	50047	16674	9376	10709	5706	43443	47953	94317	107980	93691	13805	18012	7825	58044	7086	42750	3347	4738	7296	4182	15422	4492	203251	4302	13775	8005	7542	70729	74254	12429	1104	0	0	49039	68608	0	7673	4637	35039	31170	22729	0	42745	29440	14002	11898	9740	10335	10659	52642	57177	33179	12526	44187	13596	7796	68893	102742	106788	6777	5329	0	3044	4325	0	6958	22975	76928	16616	51881	8445	57161	31870	15358	21662	10948	15156	0	31724	33058	35490	89395	114255	0	40735	33395	22817	35279	32582	14928	3086	14638	44585	0	28203	0	9079	54964	Phytochemical	0.4347826	0.9130435	0.04347826
22	C23 H21 O10 N1	472.1238	472.1244	-0.057650305	472.1238	12432	20311	15363	17433	18526	10019	1412	2113	23454	70954	28732	2716	26904	7807	5369	6428	3597	23778	19141	37023	43710	45880	7390	7193	8036	21772	2806	14073	2085	1148	2500	0	6092	2461	81540	1838	7315	3604	4831	36904	25183	5042	0	0	0	41681	47666	0	1884	2975	15985	15246	13906	272	26038	17395	5234	6149	5336	2932	3398	30746	34024	21911	6053	19652	8605	2685	22374	36999	34495	3628	1440	1190	1394	1571	0	3729	10882	31416	4361	35128	3904	19558	19064	12486	8849	6021	6799	3318	10846	19163	9141	62776	85773	0	13970	18470	13171	14994	13772	3321	2778	5854	26555	3946	13833	0	3428	34586	Phytochemical	0.4347826	0.9130435	0.04347826
8	C23 H21 O10 N1	472.1238	472.12466	0.09495743	472.12387	3627	3258	2479	3588	5251	1233	0	0	6098	18102	11171	652	5668	1382	996	0	0	2732	2826	8540	15683	13061	1426	2173	0	4419	0	3233	0	0	0	0	1991	0	25255	0	1019	878	0	7285	12152	725	0	0	0	7884	9693	0	0	0	4288	3170	2437	0	4432	4101	1143	1137	0	1375	0	5676	8494	3981	0	4651	1516	0	6782	8762	15001	1141	0	0	0	0	0	0	3462	5238	1782	4805	920	2484	6248	0	1700	1181	0	2037	0	0	0	14026	12028	0	2573	2007	4655	5868	3974	1316	0	0	0	0	4163	0	841	7584	Phytochemical	0.4347826	0.9130435	0.04347826
10	C23 H21 O10 N1	472.1238	472.12454	0.06048023	472.12384	10508	8410	4041	10353	11670	2871	1011	2122	11678	43092	23271	1152	13692	3300	1758	3019	1228	8344	5949	21888	30331	27356	3739	3735	1344	13746	1074	12058	1124	1883	0	0	3589	0	60852	0	1200	1909	3410	19679	22158	1486	0	0	0	12739	21633	0	0	0	7696	7039	4935	0	9526	9460	3966	3497	0	3662	0	18566	17192	9136	3462	10033	3059	3964	29316	24426	41774	2033	0	1075	0	1212	0	2306	4690	11015	3618	11349	2020	8946	7811	3556	5448	3542	1782	6025	4452	5511	3531	26745	21170	0	7345	8170	8618	11989	11141	2030	1591	0	0	3384	5821	0	2097	12406	Phytochemical	0.4347826	0.9130435	0.04347826
18	C23 H21 O10 N1	472.1238	472.12445	-0.023929318	472.1238	39963	42083	37174	32632	34699	20230	4603	7725	45177	163940	77527	7464	56094	19979	10141	14554	5595	47348	49103	88582	112660	100500	15884	21068	11566	59264	8929	54273	8294	4980	7631	0	15583	7880	190456	3895	18265	8272	6079	79688	71430	13654	963	0	0	65795	80453	401	7009	2892	39271	37322	26264	0	46190	36596	14774	11380	11445	11724	9493	60540	61263	34395	15222	43122	21698	7431	57411	85384	88561	8890	4113	2054	4944	0	0	4921	20462	75123	19005	61236	10611	54234	39106	20988	18532	17758	19862	17889	32540	32532	23264	87468	127862	0	38208	39913	29995	36618	33633	10571	3993	13591	42941	10711	23565	0	12542	58867	Phytochemical	0.4347826	0.9130435	0.04347826
26	C23 H21 O10 N1	472.1238	472.12436	-0.10405722	472.12378	3683	4194	3637	3515	5239	4017	0	0	7171	23917	8203	0	10871	0	0	0	0	7522	4404	0	13791	14309	0	0	0	0	0	2804	0	0	0	0	0	0	23510	0	1652	0	0	8347	7518	0	0	0	0	9063	15503	0	0	0	2850	3944	2783	0	6039	0	0	1655	0	0	0	5958	10054	5749	0	6993	2315	0	6021	12849	12457	0	0	0	0	0	0	0	2978	10003	0	6410	0	3488	10450	0	2860	2442	0	0	1869	3698	0	13383	27825	0	4278	0	4127	3430	0	0	0	0	5862	0	0	0	0	6482	Phytochemical	0.4347826	0.9130435	0.04347826
14	C23 H21 O10 N1	472.1238	472.1245	0.032114282	472.12384	29083	24970	17492	18077	20249	10855	4259	4024	24787	120536	62170	4239	41010	11598	6559	9152	3234	28567	31386	69288	79248	76422	10234	8812	5780	48751	6619	43972	3657	2752	4349	0	9347	3343	155791	4073	7135	4821	5906	50275	64515	8136	0	0	0	51391	64707	0	4774	5162	25934	23214	13137	0	34043	24128	8887	14266	5002	6256	0	38517	44287	26248	6535	29375	12788	4575	60140	78543	85253	3397	3247	3198	3643	4340	0	4556	11658	42099	9210	34265	4209	26612	22833	10334	11545	8369	7501	16651	12022	16238	16658	68719	72391	0	33591	20825	23309	28079	19654	9688	5123	6281	37564	5312	17656	0	7525	33440	Phytochemical	0.4347826	0.9130435	0.04347826
28	C20 H25 O12 N1	472.14496	472.1455	-0.05870277	472.14493	14413	11370	12469	10240	12959	12729	4081	9068	9009	34106	10042	5364	16527	5218	8964	7799	5539	18006	14759	36922	42122	7901	8048	8853	2879	8986	3305	3923	6075	5915	5645	5333	5822	5897	29958	8799	7462	5325	6820	22888	19492	4019	0	0	0	37631	65030	0	5685	9124	12764	11618	8088	0	10136	7507	3612	7034	5724	6249	4785	18652	10295	5347	4686	8269	6780	3539	26010	27701	31137	8272	6816	10005	10530	7156	0	6336	6390	6935	6028	35337	4981	10794	11313	4197	5666	3835	6118	2291	4735	7514	7023	7235	10201	0	11050	16562	11163	2567	5230	7903	5132	9333	36332	4844	9370	0	3450	13847	Phytochemical	0.6	1.25	0.05
10	C20 H25 O12 N1	472.14496	472.14566	-0.006675155	472.14496	88073	82943	79362	75293	60815	46481	39805	85698	80594	118314	89744	60094	123087	31439	63453	81418	81920	119422	119779	154317	183351	119160	81037	90055	22978	39505	48004	40727	70553	81279	63400	68998	74474	56921	166436	68908	78525	57455	74295	93023	125578	56126	2501	0	0	149922	240835	0	72290	76977	83212	77784	56370	0	131822	70408	40004	62200	73768	70758	83043	81021	106544	89290	48515	73202	55079	72297	91255	45656	77664	69487	60942	69153	64419	53187	0	45953	59038	79055	54766	91680	35960	41997	96105	55655	46452	55093	55980	52170	24041	45580	86519	104401	116220	0	80341	103509	76621	56011	77708	91133	58325	99117	190097	66122	82790	0	36603	113671	Phytochemical	0.6	1.25	0.05
26	C20 H25 O12 N1	472.14496	472.1455	-0.044900768	472.14493	11821	10856	10114	10964	12484	9563	2027	6740	11181	26437	5652	6648	12450	2532	7355	5623	0	18736	8799	32040	39434	9274	6079	9411	0	5357	0	3121	0	0	5231	7598	4778	5514	22748	0	4195	2745	5549	19088	22970	0	0	0	0	45495	81879	0	5016	8123	12919	11265	6586	0	10539	7384	3175	4397	5043	4874	6426	22323	10182	8010	4330	7630	6501	4168	16220	23936	18503	8149	6519	7912	6213	5242	0	8630	6010	6259	6045	30001	3793	6287	8724	0	2013	4705	4690	0	1827	4100	7322	6352	9581	0	9629	12384	10274	2540	4543	6152	5991	10867	44290	4836	7911	0	0	12879	Phytochemical	0.6	1.25	0.05
8	C20 H25 O12 N1	472.14496	472.14575	0.002930838	472.14496	34817	37426	30045	36939	24112	20110	15540	30041	32775	50158	42325	26946	46480	12041	23964	36105	36643	42675	46912	49344	71191	42862	28703	34476	9099	10364	16356	10512	23294	27325	20293	27364	28572	20944	62674	24082	25235	20565	34567	27788	50101	27223	0	0	0	49978	87014	0	24690	31311	33363	28815	21883	246	47465	35255	15992	27051	20819	33912	33364	26565	57647	38982	15894	29398	19544	37059	29809	14138	30848	23492	25899	26345	27640	21664	0	19997	25203	20561	20633	28792	15138	14421	43833	19705	19520	21858	26113	29278	0	22371	33192	39821	44464	0	35868	45135	35414	31275	37491	33544	22671	37584	46829	22470	38312	0	11879	48793	Phytochemical	0.6	1.25	0.05
22	C20 H25 O12 N1	472.14496	472.14554	-0.0365178	472.14493	60962	53800	58572	53348	63976	62432	20556	63036	72684	81018	37683	38058	71816	24688	56110	47274	34842	121320	67406	115956	127090	46768	44358	52750	18731	34392	21536	23989	39962	47990	32072	39786	43178	47444	69094	43870	39004	45402	27670	70640	70130	38942	0	0	1398	215303	353372	0	32358	59552	57376	54673	50564	0	84618	48164	36210	35170	37354	40362	34680	87228	52192	62288	34222	50370	32264	20568	90434	70880	97645	46762	37590	64782	32050	41182	2080	40864	26822	45523	31260	157300	24702	36432	79778	48566	16978	24162	35246	13362	21934	33680	41934	57473	59163	0	53232	59916	79770	39964	41038	34398	35072	52678	225324	32362	71690	0	19712	86534	Phytochemical	0.6	1.25	0.05
12	C20 H25 O12 N1	472.14496	472.14566	0.024604075	472.14496	142400	126653	133467	135348	127554	103422	93583	179793	170289	211085	164494	103397	208646	59625	125733	124676	148240	243988	252014	316182	362325	256992	164812	154664	55445	70304	62929	89831	135401	116599	122750	107245	145084	96223	318600	124347	124303	111857	103280	201296	258727	115381	4685	699	0	336258	514945	0	99899	147263	139004	127918	106884	488	265629	135740	76012	108300	162233	123051	161289	208422	221243	164965	79106	142772	105218	123529	204019	111526	171197	108658	108974	129098	93134	93437	532	104075	113768	176922	100051	230368	74221	86808	170402	108670	86909	77026	103198	122250	46654	96574	156761	210549	172508	1314	142959	201262	170134	94437	118505	161723	101743	149945	384653	122431	173742	0	65552	230755	Phytochemical	0.6	1.25	0.05
14	C20 H25 O12 N1	472.14496	472.14563	0.011062019	472.14496	201528	183774	185691	194844	189373	161542	113822	227030	259946	295852	192343	123233	362665	98621	189057	180791	161424	367153	300277	441414	490676	332649	216792	208971	101553	109610	88826	125339	182383	178672	142736	158117	190250	132587	396437	178228	165579	145516	102346	247579	250784	161591	9651	529	796	535387	704934	549	136117	191555	192993	178810	153305	904	398919	194396	108315	141922	252601	125885	243590	262057	292202	234490	109811	184245	150656	100038	309823	160653	202014	165460	141184	192138	135296	135508	468	143296	122844	250097	124753	358915	79832	115849	245407	150516	103213	118413	130523	84308	70899	138037	206360	216156	254818	1139	201917	260985	212423	142177	159382	203165	127640	224033	661209	135852	221284	586	82930	274143	Phytochemical	0.6	1.25	0.05
6	C20 H25 O12 N1	472.14496	472.1458	0.08821418	472.145	10946	9231	7134	10611	6004	4484	3641	6643	10767	13314	11326	7852	15045	3547	5968	9085	8628	13571	13545	9867	16404	12724	11268	9094	495	2442	4169	3193	5540	6395	4340	9066	6192	6516	17630	8781	7273	5000	12278	6539	14841	8320	0	0	0	9884	20977	0	8329	9917	10124	9024	7392	0	15208	10389	4655	7756	4117	8993	11199	8144	19508	14200	5671	10797	7529	8037	5388	3771	7298	6938	6022	5657	5302	3756	0	4886	8134	0	4359	5765	3391	3093	12964	6564	4472	8350	7042	9301	0	4863	11835	8277	9380	0	7493	11649	8257	13065	16209	11688	4988	11932	11531	7281	10194	0	3674	19446	Phytochemical	0.6	1.25	0.05
24	C20 H25 O12 N1	472.14496	472.1455	-0.04157743	472.14493	12620	14742	11112	14125	14039	13313	2928	14513	15264	25804	11140	11421	17115	4307	7644	6733	7275	27911	11758	28642	36878	7372	13647	9297	2193	6719	4482	3073	9078	8379	9101	7286	7612	8169	16907	11438	5732	6663	6124	20949	26066	5622	0	0	0	59044	86666	0	10788	13762	12943	13914	12677	0	13821	11391	6948	3661	7667	8672	5881	21615	11515	11487	5954	10278	6904	7169	25583	19643	20909	10873	10340	10743	10543	6508	0	9274	7080	8347	6747	47846	5767	12881	20130	7042	5002	5508	7572	3074	2165	4616	10781	10364	14502	0	11202	21009	13352	4448	8424	9190	5361	10809	52381	7766	11388	0	3038	18876	Phytochemical	0.6	1.25	0.05
12	C19 H25 O11 N3	472.1562	472.15698	0.21176088	472.15628	5793	0	5447	5235	2331	1641	5523	10546	4444	0	0	3882	6063	1140	6194	7346	6221	6866	6480	0	2569	0	6805	7456	2043	0	2450	0	6104	4138	4759	4980	5868	5257	5308	5147	5109	4147	6636	0	0	3044	0	0	0	0	4806	0	5531	5435	4882	6269	4917	0	8065	1780	4002	0	5701	0	0	0	7340	5675	2573	6699	5198	0	0	0	0	4318	3794	4194	4518	4591	0	5969	5469	0	3802	0	3051	0	0	2290	5097	5380	5360	9315	4407	7835	20761	0	0	0	5591	6257	0	1305	2388	9787	5183	0	0	9316	3415	0	2585	6323	Peptide	0.57894737	1.3157895	0.15789473
10	C19 H25 O11 N3	472.1562	472.1569	0.064302996	472.15622	6235	3178	6257	7792	3165	4962	7204	8559	7725	5374	3717	7741	7548	1966	7733	7652	6248	7709	10150	6464	4420	10784	9820	9754	3756	0	3668	0	8135	4521	6351	7218	14764	6194	4529	8415	12324	6562	8018	4057	6336	6092	0	0	0	5099	8756	0	5462	6913	6837	8556	5970	0	10657	3559	4252	10363	6701	4183	0	0	12432	7241	3417	9289	8314	6181	0	0	0	6090	6751	6700	5878	6660	0	7567	5896	0	5041	4478	3889	0	5506	4032	6983	6706	8009	12490	4975	8990	23264	5148	3780	0	5565	5897	3116	2635	3341	9553	8165	7500	0	11705	3380	0	4123	15352	Peptide	0.57894737	1.3157895	0.15789473
8	C19 H25 O11 N3	472.1562	472.15698	0.048372377	472.15622	9815	10977	7199	6650	3888	3778	4936	8683	7638	4609	4194	7762	10591	2265	6799	9564	9176	9495	9569	5097	5062	14808	9786	10916	3337	0	4020	0	4747	8105	7290	6895	12131	8343	6993	8316	11531	5505	9507	5109	7655	5186	0	0	0	6679	8465	0	7838	6609	7981	9899	5125	0	12225	4865	6072	8721	5802	6527	9661	3846	11119	10480	4527	10306	6603	10751	0	0	0	6094	8908	4951	4368	6584	0	6073	6482	0	4418	3410	2446	0	4674	5300	6428	5649	6962	13699	0	11025	20120	6993	5965	0	8679	7777	3939	4556	4466	9982	5511	6346	0	11578	4982	0	3483	13970	Peptide	0.57894737	1.3157895	0.15789473
18	C24 H25 O9 N1	472.16022	472.16083	-0.017149517	472.1602	61879	62158	49104	51004	42476	35275	14898	26618	40401	221163	117000	12861	48132	32568	17288	30930	23295	62044	69419	167009	157435	111954	31644	33032	22303	141282	16757	84205	19910	20442	19622	16555	27600	22757	226221	14455	34849	22614	21007	126055	94600	21879	1786	0	0	75398	75165	0	29413	17686	52959	45943	29166	0	55324	38936	18989	35345	22289	20690	30950	77362	66460	47065	22640	49291	33977	20608	128391	182894	192920	23352	17650	9594	13779	22740	0	15063	37289	74165	23777	62261	22450	75079	42054	24912	37433	24449	24925	39091	55798	58253	48442	81982	127034	0	63888	46070	37570	36324	33631	34552	15981	37190	47705	25721	27745	0	24712	64345	Phytochemical	0.375	1.0416666	0.041666668
8	C24 H25 O9 N1	472.16022	472.161	0.01660481	472.16022	5477	7068	6603	6540	5190	4528	1169	2789	4527	32252	15010	1374	7637	2849	3241	3486	2707	4762	7693	22330	27659	14016	2627	5232	1383	15485	2268	9502	1888	1948	1961	2973	2027	1379	44967	2872	2270	2764	2946	14686	20650	1993	0	0	0	11419	19558	0	3794	1137	6168	4644	3842	0	7695	5852	1265	2716	0	0	0	10916	8372	4359	2477	4878	3271	3984	19494	27091	32828	3347	1682	1972	1578	2315	0	1281	5225	7176	2495	6875	2618	13426	5059	0	4670	3332	1590	6066	0	0	6072	16845	20076	0	8056	7538	6465	4219	5735	3803	1242	4119	0	2666	4570	0	3087	5749	Phytochemical	0.375	1.0416666	0.041666668
26	C24 H25 O9 N1	472.16022	472.1607	-0.14404307	472.16013	6028	4667	5486	3056	5847	4270	0	0	6344	24930	10191	0	6655	3802	0	0	0	8158	6653	9400	15748	12569	0	0	0	8782	0	6403	0	0	0	0	2472	0	22551	0	1948	0	0	11219	10484	0	0	0	0	7887	11042	0	2084	0	6295	4461	4135	0	5545	0	0	2235	0	0	0	7246	9424	7181	0	4932	0	2214	12539	18007	20395	0	0	0	0	0	0	0	3970	6898	0	7206	0	6669	5968	0	5363	2544	3041	6790	2577	5097	6404	9531	18918	0	4660	7200	3747	5837	0	0	0	0	7654	3453	0	0	0	8093	Phytochemical	0.375	1.0416666	0.041666668
14	C24 H25 O9 N1	472.16022	472.16086	-0.038344834	472.1602	35128	41084	32506	29062	21730	16138	15838	15389	23375	108476	70192	8271	34584	19255	12416	18203	14195	20355	29027	100033	96452	68635	13472	18469	13522	87199	8235	57888	14509	11916	12678	12100	24375	10522	142323	11015	19089	8995	18801	64480	84011	10277	0	0	0	57027	53514	0	16904	16267	32092	30301	18383	0	30195	18483	10169	18575	12447	22797	20072	47744	33887	25350	9250	24833	14432	10135	72440	121464	112624	11353	12274	10306	9024	9109	0	9413	20409	39836	16273	32345	14589	43573	22607	11431	23590	14717	12550	28465	25171	28717	31320	48670	63666	0	30211	29023	20211	17415	17887	18440	7438	25266	22880	17520	13215	0	11399	29244	Phytochemical	0.375	1.0416666	0.041666668
12	C24 H25 O9 N1	472.16022	472.16092	7.56741E-4	472.16022	17914	22704	19775	17127	12805	10883	9104	17325	15277	73217	38887	5058	16869	10344	6389	14354	9519	16930	20783	58801	69498	40695	7736	9121	7701	47057	6228	34823	9163	6496	6732	5669	12730	7605	112859	7429	6636	7980	14840	49532	58618	9504	0	0	0	36815	37007	0	9029	7590	20057	17617	10621	0	18181	10405	5320	10102	9726	10735	0	34722	18618	15993	6529	14083	9259	8410	46491	82038	86714	9249	5643	4611	5863	6198	0	6348	16608	18460	12682	20385	7837	31378	10686	6244	10421	7084	9356	21348	12847	18439	17117	37073	38080	0	16131	17957	17914	14433	11286	8936	5027	11628	0	9491	13202	0	10710	24043	Phytochemical	0.375	1.0416666	0.041666668
24	C24 H25 O9 N1	472.16022	472.1607	-0.08765493	472.16016	12066	9081	8308	12437	9697	9435	0	2225	14899	51090	23274	2897	14811	3992	2596	3029	1978	10542	12434	25635	27834	20748	7037	6022	2969	25945	2091	17622	3696	2705	2414	3696	4888	3712	46595	0	6246	3625	2595	31095	21150	3439	0	0	0	26035	24421	0	3647	2322	6339	10761	8735	0	14877	8293	3436	4318	3154	2289	3650	15659	16932	12768	3754	14420	9298	3764	35685	40720	40676	3907	1451	0	2742	1192	0	2988	7294	14148	6458	16971	3749	17723	15442	5384	10432	4777	4311	4401	5546	6846	12963	24673	32201	0	10403	10617	8775	6314	7468	2757	2969	6970	13116	2833	6314	0	3112	20089	Phytochemical	0.375	1.0416666	0.041666668
10	C24 H25 O9 N1	472.16022	472.1609	-0.05876962	472.1602	13308	14693	12919	12219	8815	5448	4711	6018	10592	57521	27258	4032	15893	6116	3748	3545	4635	11486	8664	39824	50869	28959	5228	10022	4634	35754	4712	20993	5890	3328	5906	6981	6450	2949	66994	4623	7062	2907	5688	35555	31653	3370	0	0	0	22589	24664	0	5948	4357	13392	12568	5793	0	11057	9947	4015	8043	4527	4514	0	17748	11863	8116	3653	10977	4096	6519	41063	55983	50701	3801	3219	3907	4311	1752	0	4234	8196	12476	6539	12471	5130	17195	10465	4382	8501	3860	3783	9545	13181	9650	10453	26608	33980	0	13835	12380	12172	7093	5965	8378	2175	9989	0	6216	6003	0	5813	10227	Phytochemical	0.375	1.0416666	0.041666668
22	C24 H25 O9 N1	472.16022	472.16077	-0.037864234	472.1602	29896	19913	28705	26244	21472	17560	4077	12891	29281	98221	56956	8051	28383	20825	8652	11605	9018	33441	22814	60118	74277	53137	10705	13315	10390	69201	2778	51102	11883	7584	6139	8176	9810	7532	110214	9543	12942	7790	5165	55146	46158	15229	0	0	0	59871	52132	0	6922	8343	24185	29505	19240	259	29859	22698	12135	14612	12773	7829	14551	49031	37538	27970	11386	31928	16751	5060	68783	93877	100708	11990	5565	4375	5508	5758	0	5704	18114	32584	13571	37021	9733	36410	27991	16026	14640	12137	12737	13741	21508	22428	21396	50276	71238	0	29075	23238	18609	20928	20316	12849	8176	10999	40220	15357	19900	0	11971	37946	Phytochemical	0.375	1.0416666	0.041666668
16	C24 H25 O9 N1	472.16022	472.16083	-0.04901923	472.1602	52556	49000	43601	52693	28193	26442	13664	18518	41597	174674	95149	13147	40827	23049	20924	22889	19697	44196	46294	128153	147221	82345	24836	29091	22624	114649	16979	66171	20489	20982	14279	17160	32601	15938	204922	14901	28487	12913	20538	109567	88863	21411	636	0	0	68346	71000	0	25112	24932	51508	34177	23257	0	34406	25343	15358	28126	21680	24869	26020	63637	58285	33375	14933	48124	26114	21069	104274	172167	156660	20885	15930	11092	13287	15841	0	14826	34117	61298	18430	50259	22134	75470	39789	19330	33928	25344	22453	35969	39388	52918	39583	60889	111170	0	48849	40560	29687	20799	31640	26233	13595	27957	35592	35294	27645	0	21208	44151	Phytochemical	0.375	1.0416666	0.041666668
20	C24 H25 O9 N1	472.16022	472.16077	-0.08895286	472.16016	55617	43944	55494	43317	43668	28245	18928	21100	45874	180609	105930	11254	59388	33548	16864	26235	16084	52247	57807	122981	149804	94036	22581	30281	17357	132029	12617	82401	17091	12518	13431	11224	24600	13253	212660	16546	27796	13705	15722	118446	91075	21132	1368	0	0	84592	84760	0	21955	15987	47602	55672	30861	272	48917	28394	16888	20774	22963	12514	30095	72975	65408	44825	14160	42436	31558	9562	117851	166584	147890	16784	11408	9353	11001	14373	284	15456	26081	73264	21350	59863	20600	75824	48980	26870	34509	27095	25359	28347	40862	50461	53122	76984	103177	0	58949	50608	31815	37522	34038	31103	9716	25884	56364	25903	32797	0	22211	64210	Phytochemical	0.375	1.0416666	0.041666668
18	C13 H30 O10 N5 S1 Na1	472.1684	472.16898	-0.26728648	472.16824	27089	31363	25562	31296	22042	17510	10894	19584	22488	74062	47313	9895	30832	15608	15317	18043	11169	26217	32328	80687	66878	34368	19706	18026	13499	93124	12577	43927	15967	14093	16815	15020	16988	13380	92966	11601	20860	18914	12716	44404	33890	9372	810	0	0	35618	30999	0	20375	18760	35953	27432	15387	0	30776	20379	13176	18803	12609	10227	20072	28740	38208	18658	9093	27907	13507	13416	69588	104641	117975	15066	15674	13628	10918	17741	0	15571	21483	22310	18511	28456	13437	36341	33630	13899	23264	11321	16430	15489	22330	19101	18261	28199	32727	0	25696	20991	23481	27466	21814	13594	12788	23009	18172	15780	20776	0	13688	28516	Peptide	0.7692308	2.3076923	0.3846154
6	C23 H25 O8 N3	472.17145	472.17224	-0.0383833	472.17142	12289	11184	8734	12042	5831	5389	7095	12311	6333	14913	8112	7710	7349	3094	8469	17018	10724	7709	8505	16560	17515	15609	8344	20274	5781	6378	6392	3835	8166	10134	7230	10765	13960	7678	19414	6537	11492	6654	15009	14595	18876	5243	0	0	0	13204	20045	0	11931	9890	12792	12233	6697	0	7182	4710	3877	15003	4489	9481	9886	10642	9030	6793	3411	7285	6706	18829	9027	11137	13599	8729	10544	7696	4415	8787	0	7079	10354	5143	8105	7402	5813	7197	5716	4572	11496	6716	6971	21245	7514	9967	22834	9343	13088	0	12864	12100	4363	9640	10938	11041	6650	12155	8872	12935	2802	0	6584	7789	Peptide	0.3478261	1.0869565	0.13043478
20	C21 H29 O11 N1	472.18134	472.1819	-0.06963349	472.1813	173744	165493	197493	157966	155081	158036	71184	204440	183186	303514	133273	111423	271935	77588	174506	148942	88715	282430	250638	408648	371415	155812	179477	203216	130366	197553	78029	98827	206976	170400	169789	147126	167899	160373	307635	179843	175361	113557	80235	259651	138631	113163	6399	1315	629	364156	305928	1139	163081	186732	165449	164322	123240	1972	263517	141505	94919	123250	164436	83619	175393	181951	212920	171560	76396	157688	126994	72950	186899	319477	223197	184965	186196	0	113111	153101	1020	140416	132798	100517	125236	208671	108905	167948	183692	108101	98811	94447	105077	66277	106994	136166	194105	98772	153303	1992	185415	227426	153438	95032	115646	165977	114129	199239	266443	157927	144287	1744	108407	265419	Lipid	0.52380955	1.3809524	0.04761905
18	C21 H29 O11 N1	472.18134	472.18195	-0.034743212	472.18134	385727	357092	369973	318592	286335	285631	186288	497762	330932	639414	268191	206730	526296	155202	386401	328647	188143	545116	546166	846743	719975	361360	387750	451897	309119	360558	166015	201045	455299	375263	362601	364364	348349	337101	678196	426382	379318	254248	167679	532352	245773	238539	12777	1611	1189	754621	494167	1137	344886	409486	351750	355335	260637	2079	627624	264684	157911	298055	369761	157602	362751	382680	405791	345451	141086	294587	243291	153990	359094	617641	390927	418201	333005	473612	211261	348413	919	284518	244818	194800	245522	435201	227070	264712	324541	245771	202355	169547	218525	136175	240356	341230	420133	187683	348888	3578	332731	426043	284283	169474	193863	368194	220396	435426	404871	257299	253489	1970	195676	428646	Lipid	0.52380955	1.3809524	0.04761905
6	C21 H29 O11 N1	472.18134	472.1822	0.06461322	472.18137	8114	11444	10197	10805	6522	6155	5851	18320	9871	20470	11256	10401	15564	2928	10820	12333	10358	11247	13417	14344	24248	17303	9317	16118	5285	5640	5666	2492	13949	12764	13505	13553	15109	12205	20997	16817	15491	8896	11404	9439	13876	8752	0	0	0	12012	17452	0	17672	14164	12709	10881	7340	0	14588	7799	3588	15029	12354	10515	12134	8682	16897	10964	3000	10621	7766	12415	7201	7935	11250	10460	11015	14815	7056	10388	0	9338	9284	3408	6757	7016	7789	5061	8914	7567	6335	6339	8203	8994	0	11580	14219	8013	11156	0	13511	12882	6013	9720	9293	12649	7398	19247	12102	11738	8134	0	6589	17041	Lipid	0.52380955	1.3809524	0.04761905
22	C21 H29 O11 N1	472.18134	472.18192	-0.05911634	472.1813	134190	141164	131922	143774	119746	122376	52380	0	149258	276432	99932	81274	179602	64968	123352	127200	72938	202622	165736	279632	290137	108792	136260	168840	102664	160976	56962	70002	142726	133284	120126	129860	120972	123118	230768	0	116530	108818	58086	181006	104770	73435	6518	0	788	318936	267434	0	114886	145960	129818	137680	113664	2584	179858	107766	72124	109406	107134	63670	129146	150744	140112	165528	58388	115782	74184	46394	148304	292914	169422	0	134306	156424	85756	119334	1686	99192	117366	54609	103354	199864	70690	119098	146732	91212	80076	64002	83242	40480	84132	84280	121360	72426	111354	0	133910	151556	114618	75154	81994	119618	87162	164706	219500	86072	112620	0	80968	198080	Lipid	0.52380955	1.3809524	0.04761905
8	C21 H29 O11 N1	472.18134	472.18207	-0.041256826	472.1813	34564	31634	27581	30120	15733	17546	17990	46464	22811	47792	23483	20949	29652	10370	27894	37364	32841	30892	36600	61523	61823	47726	31949	41870	18235	20702	18203	13356	38253	34129	25281	32084	33758	30229	61136	35828	36678	21254	30903	33816	39572	20486	448	0	0	43066	57898	0	30582	32365	35546	32153	17097	0	34297	21002	13748	27371	31531	33881	44435	27692	32631	25589	10626	20393	19119	27592	29232	24971	33560	35920	28704	32936	21483	31111	0	23997	26638	19548	22825	25241	20123	17257	24139	15679	19138	15104	20552	25975	18413	25334	40863	20737	33751	0	33094	37491	18087	17123	20064	33275	21639	53883	31855	29250	23365	0	17969	30684	Lipid	0.52380955	1.3809524	0.04761905
10	C21 H29 O11 N1	472.18134	472.18204	-0.05171747	472.1813	89094	74311	70465	70518	50794	39751	60747	107298	54284	126751	68553	55954	77422	25434	71718	94502	68744	78211	83601	154391	144805	87440	82307	110264	47896	91213	50592	47004	86338	90711	77140	78017	85565	69607	126808	104450	83752	56317	74418	104966	76147	50465	2464	0	0	132699	134375	0	91626	94203	78571	75278	42261	313	87520	51461	30891	74791	100710	70798	103184	77770	61681	60085	30685	51024	44895	66391	105377	84063	94329	79845	78129	101679	64787	74237	0	63128	67088	55628	63678	72372	62135	47626	68192	41112	54288	36719	46944	58891	41627	60148	107838	49896	72323	532	73287	101117	48169	42889	51522	92540	57284	123323	101580	62643	52163	0	49487	64163	Lipid	0.52380955	1.3809524	0.04761905
26	C21 H29 O11 N1	472.18134	472.18192	-0.053088225	472.1813	8481	8122	11617	8744	8028	9238	1920	11317	4174	30461	6483	7686	13002	2151	9735	9088	0	14023	11412	30662	35365	8061	9673	9592	7218	9955	1936	4112	9984	7922	8157	0	7394	5208	23087	7764	6918	3381	4209	17637	10852	0	0	0	0	28310	29443	0	10907	12871	11291	8928	8067	0	9875	5551	2957	9431	6645	5864	8162	12052	8209	6341	0	5000	4782	4730	15507	30933	21124	11223	9682	12936	7377	5815	0	6757	4898	0	4943	13651	3394	10141	5665	7501	5095	3885	2606	3181	5100	7190	10226	3280	8569	0	11812	12205	6523	4841	0	5289	5485	10129	13685	5241	5011	0	3135	13425	Lipid	0.52380955	1.3809524	0.04761905
28	C21 H29 O11 N1	472.18134	472.18192	-0.026439458	472.18134	6804	7203	6864	6861	7367	7050	2402	8697	4110	25803	5780	3838	9352	2476	4784	6399	3740	8491	8425	30337	33321	3981	5549	10191	4322	14130	1927	5547	5762	9012	5778	7466	5355	6046	25140	7799	6437	4344	3788	14691	11861	0	0	0	0	16134	21592	0	6270	8496	6497	8175	4659	0	6800	2895	3325	4630	5806	3236	5797	8588	6680	4077	2108	6229	3562	4406	19159	34740	21202	9356	7650	7996	6944	5241	0	3493	4017	0	3335	11064	5363	9665	4750	2853	3910	3080	3559	2857	5617	8643	7253	3324	4209	0	7105	8655	5846	2381	2391	4410	3762	8304	11182	2770	2530	0	2579	9173	Lipid	0.52380955	1.3809524	0.04761905
24	C21 H29 O11 N1	472.18134	472.1819	-0.06815494	472.1813	47618	49136	47588	45042	39066	41866	13826	56664	37902	101108	32547	33142	66386	14202	34676	40044	24790	75926	65008	111254	126924	32054	47078	53938	22920	48992	13968	21633	50542	36604	32842	38494	36772	35364	86914	50356	37614	22280	21106	67370	42714	19360	0	0	0	109852	103426	0	42074	48298	47594	52414	28478	0	60902	32632	18606	40892	35648	20000	40922	46377	50228	39576	16008	42304	13442	13868	53568	91896	80578	51174	51988	53176	40474	38832	0	36384	33260	22799	32456	66394	26278	45312	46010	23812	22624	18568	24720	14328	25058	31718	47068	23407	36059	0	47108	44324	37734	23618	21856	35530	26456	48304	79390	28230	37664	0	14920	73764	Lipid	0.52380955	1.3809524	0.04761905
10	C20 H29 O10 N3	472.19257	472.1933	0.07343798	472.1926	9584	9043	10033	9558	2964	5417	6451	14653	4866	6223	0	5691	6683	2098	10779	9698	6982	6146	9521	5835	3228	14111	10282	15158	9385	0	5101	0	10494	9471	11353	11912	16559	10079	8723	10929	15746	9811	5463	4646	1828	4651	0	0	0	7013	0	0	12402	7974	8666	6728	2691	0	8225	1618	2780	15060	12369	2523	11575	2070	4533	4626	2249	4720	6527	6920	0	0	0	7905	10019	8921	6399	9153	0	8326	6567	0	5401	2707	4441	2004	2854	2906	8059	5032	6895	12814	12541	19893	20349	3807	3711	0	8978	10676	0	2645	1351	9329	6088	9628	0	12947	2732	0	7796	5749	Peptide	0.5	1.45	0.15
8	C20 H29 O10 N3	472.19257	472.19327	0.006074598	472.19257	13231	12583	9003	12431	2767	4778	6292	11968	5307	6657	1989	6008	9279	2389	12396	13655	6505	9615	11895	5493	7745	19345	14127	13189	9044	456	5805	0	10334	8446	10185	12683	16910	8448	13273	9621	15335	10158	10043	6418	2466	5006	0	0	0	6289	4261	0	12838	11455	9261	10787	4593	0	10660	2528	3352	14604	10910	4754	19091	2817	7373	8371	3932	8722	6815	7975	0	2604	0	8842	8461	9642	3631	8122	0	7884	6462	0	7194	1179	6379	1654	3446	5230	10066	5530	6782	11223	14311	24789	35137	5490	4455	0	10175	6527	4097	3973	2508	9557	6457	17221	0	15053	2301	0	8143	11268	Peptide	0.5	1.45	0.15
6	C20 H29 O10 N3	472.19257	472.1933	-0.025965726	472.19257	8641	9536	7584	8266	4031	3623	4561	11975	6381	5347	2557	5686	7079	2306	9257	10220	8297	7892	8054	6026	4268	12012	8186	13224	5468	0	3942	0	10429	7597	9244	9710	15188	9379	8144	9012	12405	5622	8934	4411	4677	4905	0	0	0	6408	4277	0	13783	6738	10197	9065	5693	0	10526	3468	3063	13213	8271	3806	8185	2493	8404	5416	3248	7985	7540	11941	0	0	0	9435	8304	6759	3847	7881	0	5180	6656	0	4570	2765	4170	1666	2237	3579	8711	6388	6913	15791	11268	16970	20906	4014	3520	0	7731	10628	2750	3296	3121	13707	7953	9604	0	14503	4162	0	5117	12898	Peptide	0.5	1.45	0.15
26	C25 H29 O8 N1	472.1966	472.19705	-0.100357324	472.19653	10042	9135	9796	8594	10669	6790	3100	0	8493	21244	12516	5618	7651	7004	0	11122	0	14917	9854	16886	25008	14704	6181	14223	0	24083	1760	13011	0	0	4104	6926	9750	5301	22301	6642	8890	5208	8076	15958	17807	0	0	0	0	14636	9986	0	5697	0	10658	10282	6063	0	8657	0	0	9035	2581	4329	12661	8754	8650	7173	3251	7427	9132	6551	32323	30718	44153	6461	5488	0	0	3694	0	4255	11050	8185	8259	8801	3601	6683	8023	0	8420	6764	6663	14785	9299	5514	23365	12213	9703	0	10054	9000	4356	11658	7118	9549	6221	8829	6250	12653	6602	0	6359	8910	Phytochemical	0.32	1.16	0.04
22	C25 H29 O8 N1	472.1966	472.1971	-0.09389641	472.19656	53730	55695	52397	44174	39270	34901	15109	33639	40538	129708	87634	20551	42030	33973	22235	36725	24433	56183	56109	125451	147121	69130	33737	47310	33549	155323	15570	91746	35653	28037	25162	31819	38741	31829	126059	22218	48564	22775	25087	94516	90089	30127	0	0	0	78966	67100	0	31540	24789	52497	42653	38332	0	43463	33839	21706	32984	28005	19809	39290	70474	50935	41571	15642	40367	38168	22096	139960	187516	174542	25824	21199	19345	18693	28685	0	23597	33830	43809	32388	39979	26304	71496	44373	24011	42351	33294	29395	37686	60776	46528	70941	49065	79885	0	47672	53861	35022	33106	30626	42883	20160	48255	49699	42495	29789	0	27293	51350	Phytochemical	0.32	1.16	0.04
14	C25 H29 O8 N1	472.1966	472.1972	-0.12370688	472.19653	26711	27112	27979	27162	14288	17023	19951	21149	16957	64743	45247	12860	17697	9349	14178	22847	17915	14243	22257	77008	76506	42555	14631	28125	14873	64473	10499	42363	16437	21912	14193	18056	17187	16452	86711	17023	15367	15539	24822	51396	63748	12326	0	0	0	35718	30632	0	20395	15102	25563	24732	15282	0	11394	9623	9798	34841	23225	23361	22676	33633	18986	16074	9765	15368	14061	25291	54467	89440	86861	15124	15888	14402	18398	13266	0	10568	23418	22063	13203	16296	14891	37833	11245	9286	21680	15402	13630	54682	27798	22740	33107	24947	36545	0	32294	29093	9748	12117	12688	26856	9492	25910	17969	22106	9754	0	16386	13252	Phytochemical	0.32	1.16	0.04
8	C25 H29 O8 N1	472.1966	472.1973	-0.12627798	472.19653	7626	7156	7298	7647	5035	2732	3822	5988	3742	25518	17136	2567	3477	2774	3118	7142	4459	4069	5432	30367	30402	9685	2882	8611	3422	19388	2783	9670	4608	3427	5151	3185	4913	5056	30777	4983	6799	4275	4268	18624	13059	2937	0	0	0	10272	12740	0	4729	5091	7307	7644	3376	0	7234	3208	1383	6054	0	3065	5642	8161	3794	4717	2248	4169	2652	5653	16305	32466	27909	5044	4642	3402	2455	4520	0	2741	6112	4492	2451	4792	1611	14975	3093	0	3997	2042	4101	6922	0	7322	7133	9711	20538	0	8391	7108	4647	2924	4054	4422	2429	5057	0	5193	2832	0	3085	3294	Phytochemical	0.32	1.16	0.04
10	C25 H29 O8 N1	472.1966	472.19727	-0.06439246	472.19656	10717	12797	11999	10153	6249	4245	3264	8159	5962	45451	26375	5604	7154	3864	4220	9719	4809	6340	11488	48078	50561	19077	7327	11628	6141	43859	3313	18814	5508	6301	8027	7339	8281	6905	48342	7315	6767	5662	7159	34015	23527	4464	0	0	0	17423	17358	0	8598	5544	13664	10278	4794	0	7420	3429	4659	7846	0	5615	0	14305	7478	5655	2702	10190	6650	10340	36343	54470	51560	8403	5830	4975	7614	5084	0	3444	8712	14342	5866	8265	3069	16906	5494	3566	9528	4716	4189	12437	10445	8218	14416	17461	21625	0	13455	12580	5947	5473	3567	10357	3495	8458	0	7564	5192	0	5818	6718	Phytochemical	0.32	1.16	0.04
28	C25 H29 O8 N1	472.1966	472.1971	-0.12140338	472.19653	12005	14034	11222	11935	11178	5977	6889	15432	6567	9554	6289	3979	7120	13111	9199	36207	20722	8480	19046	3942	5451	22100	12690	47651	8209	9220	3669	8549	9820	9559	9071	6826	22082	8792	8721	9286	11527	7078	25370	5439	4681	7927	0	0	0	6355	4843	0	11610	8144	11854	10971	11504	0	7093	3504	3085	33102	2111	3264	41263	3975	8028	6916	3834	9988	8815	31078	10090	15258	19611	9078	5662	2888	8428	6878	0	5344	19138	4280	17311	3696	3563	2666	4081	3124	21440	11637	9176	52583	8064	7822	44492	6750	6886	0	13183	9683	5057	8572	8189	26706	4649	5775	0	45883	4052	0	11627	7151	Phytochemical	0.32	1.16	0.04
12	C25 H29 O8 N1	472.1966	472.19727	-0.06403722	472.19656	14996	19317	16364	10311	10364	8428	11130	18248	9237	54434	28102	7912	8491	7114	8835	9992	7177	8443	15001	64020	68606	21594	5572	10232	9154	54197	7790	33849	7275	10490	11953	6845	13634	11399	64941	11297	13093	8923	13213	37869	37121	6893	0	0	0	22513	26688	0	13653	11961	15347	14023	6728	0	8396	6212	5181	14689	0	13614	0	23120	9113	7753	4700	10141	11870	15215	36719	80921	73132	8658	7658	9798	10647	8418	0	7818	12087	22073	7974	13779	6649	22804	8163	5811	15074	6920	8536	24564	12665	15351	23933	26669	22964	0	16926	11015	8355	5494	7042	8879	6117	13559	0	14085	6483	0	10261	11224	Phytochemical	0.32	1.16	0.04
20	C25 H29 O8 N1	472.1966	472.19714	-0.07311702	472.19656	65397	70296	70757	58266	53968	46295	25677	49652	50628	165405	105189	27922	50320	42469	34587	61673	38044	58055	67781	174023	191334	97166	43392	58809	37922	196417	27463	106929	49391	37527	40080	38582	60625	44386	178966	39851	65802	30342	39410	135779	120898	35866	960	0	0	81909	73908	0	46155	37433	66126	75699	40792	289	53630	41743	30218	57788	39416	35495	55276	82728	53851	47080	28018	58641	44150	38699	168757	227336	248355	44754	39441	34986	33549	39419	0	30189	49693	65793	35124	47675	41049	92782	53238	30698	57387	38766	36380	71528	74946	71097	97224	72079	94090	0	69171	77890	41368	38479	41021	53310	22712	62384	49329	50973	41638	0	41699	70334	Phytochemical	0.32	1.16	0.04
24	C25 H29 O8 N1	472.1966	472.1971	-0.099384226	472.19653	22316	24533	20636	25641	22004	11145	6433	16225	25605	57768	43346	8121	29564	13780	9419	11716	12475	25833	27220	46884	55512	36718	14479	24052	10696	75573	5851	46114	11792	7096	10404	13936	15954	12332	65084	12623	19670	10570	10246	49044	42279	12642	0	0	0	31838	39081	0	13430	8120	18549	25759	18247	0	19444	15628	8905	17856	13980	8143	19055	32756	21048	17230	7557	22719	16388	10312	81306	89436	102806	15672	9711	5863	6257	8157	0	11635	15092	17044	13351	18231	10806	27291	26557	7974	13772	9483	13861	20356	18373	20377	27942	29617	39207	0	25858	25405	14431	15934	20381	16929	7094	17208	22062	20806	16099	0	16095	22872	Phytochemical	0.32	1.16	0.04
26	C22 H33 O10 N1	472.2177	472.2182	-0.11295818	472.21768	9288	7183	9123	9891	5564	5268	1636	9657	9319	26684	8432	4214	13613	3309	7783	8655	0	11846	11052	20936	21888	5495	6218	11592	0	8579	2725	3763	11473	6204	8575	5576	8587	9673	22583	8614	9100	3933	3484	9789	4112	0	0	0	0	11185	0	0	9776	6750	11713	7521	4951	0	11075	0	0	8329	6128	5336	8416	6018	9762	6196	2620	8913	3799	2663	9288	19638	12566	10603	7226	8726	0	4917	0	5774	5269	0	6410	6519	5465	4664	0	0	7645	4128	4325	3033	7973	7087	9182	0	9394	0	9008	7878	3953	4246	7832	5781	5141	9225	0	4023	0	0	4240	14136	Lipid	0.45454547	1.5	0.045454547
12	C22 H33 O10 N1	472.2177	472.21838	-0.08530801	472.21768	48275	41504	50615	49584	34794	30315	53513	117146	38606	59345	38589	46090	53861	18748	71607	56203	73499	46829	75124	108056	97935	55221	83208	79490	61134	58780	36265	37253	97295	66296	75952	57681	74163	54762	83263	69579	57571	57782	51961	55656	37898	35116	1248	0	0	77838	58565	0	56025	75093	51366	46666	31109	0	74833	41285	27828	59082	73085	70283	80803	51501	47610	38634	25326	40707	37221	69811	58446	67026	57993	55713	59537	79087	53219	51516	0	56215	64473	25493	56508	46450	52715	35958	52465	36868	52576	25200	36264	67601	33151	61117	84077	33594	36141	729	52698	80330	34563	29524	38887	73162	46656	67999	49210	56098	35993	0	57373	45643	Lipid	0.45454547	1.5	0.045454547
8	C22 H33 O10 N1	472.2177	472.21844	-0.056238845	472.21768	16885	16157	13980	16414	6372	6774	10022	19904	8518	18708	6718	8165	12788	3231	15615	22509	20112	8937	12903	23485	17713	22373	12306	19536	11768	8445	10243	7002	22420	18749	14615	22069	22419	14576	24749	18478	21279	10757	18077	20372	11426	8545	0	0	0	19194	11950	0	23702	20436	15869	16210	8877	0	15147	7062	4872	17406	15762	10515	19675	9022	12755	8257	5326	10738	11358	18729	6154	10534	8142	19038	19149	22245	13299	16040	0	11290	11363	5050	10534	8811	11227	9239	10807	6337	11355	7287	9313	13487	10282	17037	24515	9054	13580	0	17212	16775	7108	6197	8903	23483	9726	18477	0	18549	7063	0	11080	14420	Lipid	0.45454547	1.5	0.045454547
16	C26 H33 O7 N1	472.23297	472.23358	-0.14940591	472.2329	20547	19247	21501	21815	6983	5842	16310	20369	6265	26202	28359	11178	3857	6724	12695	21875	26524	7937	16201	50299	47140	20865	10337	24163	13380	45668	11859	23002	18159	18723	21161	15787	24253	11578	35591	15256	21985	11835	30613	31023	29548	9992	411	0	0	17246	16498	0	16660	21270	19834	16902	7570	0	5853	3345	5673	19842	7097	16316	18958	17357	5283	7020	7322	9214	11707	24672	31468	55655	59696	13591	15379	15441	23354	16123	0	9541	14920	16215	15284	8678	11411	21469	8492	7547	22217	6773	7897	57820	16827	18821	51040	17036	26908	0	16488	15426	4542	4856	4376	17472	10729	18174	6864	19906	9062	0	20256	3256	Phytochemical	0.26923078	1.2692307	0.038461536
26	C26 H33 O7 N1	472.23297	472.23355	-0.07980366	472.23294	20368	17472	18920	22374	16564	14379	10497	14445	16194	25211	23286	9019	18844	15505	23765	18323	22551	15125	16797	29525	30673	16634	26907	23876	27420	56303	11735	28205	16626	12645	14946	14131	29174	13365	25151	16479	27800	19749	19646	28838	30816	16128	0	0	0	16960	16735	0	15345	8982	19585	18463	12995	0	12650	13336	10076	23691	11259	10275	24249	15545	13500	13280	7587	20166	16686	27672	57890	54212	64589	13834	10529	9386	8333	11010	0	10201	53695	10940	68396	12830	12036	19318	16970	15289	71180	16014	18481	42085	17933	20034	38439	10963	16794	0	22220	17531	9850	16322	18710	27886	9213	17983	11076	22860	14047	0	39576	15776	Phytochemical	0.26923078	1.2692307	0.038461536
12	C26 H33 O7 N1	472.23297	472.23367	-0.024217566	472.23297	6849	6799	9805	10731	4653	3579	5632	10951	3687	25237	16398	4041	2051	3353	5776	6480	9794	2960	5743	40799	33899	6793	5507	12824	8271	33813	4047	19926	7199	6429	5442	10152	14526	5627	33436	7572	12244	7032	11371	20921	17180	5026	0	0	0	5234	7866	0	5616	5847	8771	8113	3859	0	3139	1549	2909	8512	0	0	0	6871	2289	2386	1782	3881	6056	15007	19997	52623	39513	8631	6415	4920	4876	8082	0	7595	6319	0	5351	1184	1432	14332	0	1971	9145	2956	4093	23371	11979	7570	18778	9081	18402	0	9537	7398	2955	2266	1094	17501	4166	6050	0	6197	2945	0	7678	3308	Phytochemical	0.26923078	1.2692307	0.038461536
28	C26 H33 O7 N1	472.23297	472.23352	-0.071318485	472.23294	8442	7000	7502	7403	8705	5638	5638	5146	4128	6077	5539	1577	5558	6794	3538	8201	5855	11797	11909	4654	4186	8731	4918	8745	17628	11586	12251	6604	6032	4131	4172	4664	21199	5036	5832	6155	24661	4431	5742	3990	6326	3482	0	0	0	8145	7547	0	6892	4264	8758	6449	5808	0	5090	2016	1831	10442	2498	4731	7336	3964	6640	6602	4847	7780	5498	9435	16455	13281	23489	3290	2050	2653	0	3380	0	3498	15510	6382	8702	4036	5125	3119	4800	6204	17731	9415	6971	13342	17771	15424	17318	2731	3439	0	8014	7082	3398	4142	4585	8014	2785	9602	2723	13444	4249	0	10398	7630	Phytochemical	0.26923078	1.2692307	0.038461536
14	C26 H33 O7 N1	472.23297	472.23358	-0.097914405	472.23294	12604	17656	7313	11589	5102	2760	4898	13106	5556	29063	21902	5376	2528	2105	6446	14536	12895	2983	5779	41655	31449	14671	7275	8097	8560	37271	9009	14628	7998	8137	9773	11014	13973	10442	37501	8687	11234	5406	17302	21989	21621	2163	0	0	0	11131	15538	0	11958	7379	14817	9397	5397	0	5222	3144	3289	10650	0	6954	0	13211	3322	2673	1541	5665	7508	13049	24894	47218	37087	6241	7327	7405	10540	7379	0	5964	13084	0	7881	4555	6102	15382	1993	0	7254	4808	6167	33000	20572	5891	27028	11678	16719	0	11937	8544	4300	4518	2944	13799	4479	7136	0	10653	2355	0	7973	2790	Phytochemical	0.26923078	1.2692307	0.038461536
28	C23 H37 O7 N1 S1	472.23636	472.23676	0.027986832	472.23636	1572	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7056	0	0	1911	0	0	2284	0	5442	0	0	0	0	0	0	0	0	1427	0	943	0	0	0	0	956	0	0	0	0	0	0	0	0	2214	0	2030	1260	0	0	0	0	0	11539	0	0	6047	0	0	0	0	1139	0	0	0	1716	0	0	0	0	0	0	0	0	1768	0	0	0	0	0	0	0	2901	0	0	20945	4514	4959	5774	0	0	0	1168	0	0	0	0	0	0	3611	0	3213	0	0	0	0	Organosulfur	0.3043478	1.6086956	0.04347826
26	C23 H37 O7 N1 S1	472.23636	472.23587	0.06234483	472.2364	0	0	0	0	0	0	0	0	0	0	0	0	0	4917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2160	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3298	0	0	0	6992	3638	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40582	Organosulfur	0.3043478	1.6086956	0.04347826
10	C20 H33 O8 N5	472.2402	472.241	0.31881794	472.24033	0	0	0	2286	0	0	0	0	0	0	0	0	0	0	0	0	0	385320	0	0	0	0	0	0	0	0	0	8818	2000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4228	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	977	0	0	0	0	0	7472	0	0	0	0	0	0	0	0	0	0	14030	4302	0	1487	2294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.65	0.25
6	C20 H33 O8 N5	472.2402	472.241	0.11338653	472.24023	6006	6030	7567	5113	0	3537	1096	1619	0	1151	4254	781	0	0	1758	2859	0	682	1294	1653	1790	1358	1149	3891	1125	1609	755	40384	2067	1415	2865	1099	3857	1965	1733	2237	2594	1865	1158	1288	860	1204	0	0	0	1973	0	0	1569	795	3842	6884	0	0	0	567	0	1187	0	0	1331	0	0	0	0	0	0	1928	0	4110	0	1604	1220	1202	1225	616	0	1792	2305	290772	0	0	517	1363	0	0	0	614	0	4733	338242	128812	6146	37390	8915	0	7036	6332	0	0	0	1640	1284	1803	0	1941	0	0	2332	0	Peptide	0.4	1.65	0.25
2	C20 H33 O8 N5	472.2402	472.2412	0.13524154	472.24026	2553	1125	976	996	351	0	0	1355	0	0	1233	403	0	471	548	329	668	459	581	0	0	749	733	0	588	0	0	30240	849	417	543	546	1677	736	0	513	725	776	1538	0	0	0	0	0	0	0	0	0	0	438	1352	1532	347	0	0	0	0	0	0	0	0	0	0	480	0	810	405	1113	0	0	0	889	1134	743	0	500	0	765	664	174740	331	0	0	0	299	201	647	1255	534	2152	44050	18299	2664	10996	0	0	0	1147	0	0	0	0	788	0	0	982	0	0	858	912	Peptide	0.4	1.65	0.25
4	C20 H33 O8 N5	472.2402	472.24124	0.3201082	472.24033	2886	2431	1442	1757	0	3531	0	492	0	0	2619	325	273	0	311	616	0	504	283	0	0	1230	0	617	347	0	0	18146	0	0	0	0	0	0	0	0	565	258	0	0	0	0	0	0	0	0	0	0	0	0	1676	1685	0	0	478	0	0	583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	437	0	302	0	0	0	196693	0	0	0	0	0	320	474	0	0	0	194799	53968	643	16577	1389	0	2086	1799	0	0	0	801	0	0	0	0	0	0	343	370	Peptide	0.4	1.65	0.25
8	C20 H33 O8 N5	472.2402	472.2405	-0.012406823	472.24017	0	2150	1228	0	0	740	0	1365	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9517	0	0	0	0	1270	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	814	1177	999	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44679	0	0	0	0	0	0	0	0	0	1381	63653	29612	0	2730	0	0	0	0	0	0	0	0	0	0	0	0	0	0	840	0	Peptide	0.4	1.65	0.25
10	C25 H33 O6 N3	472.2442	472.24496	0.091242015	472.24426	3288	3538	5317	2147	0	2887	0	3289	0	3625	1946	1321	0	0	3354	2416	1432	1003	0	2077	6902	2200	2349	3471	3720	1748	2202	7532	2017	3339	3279	1481	3069	3619	3146	2376	6812	2482	1363	4108	0	1945	0	0	0	2489	0	0	1222	1304	2323	4914	1342	0	1276	628	930	2165	0	0	0	0	0	0	0	0	0	2527	0	1869	1405	2932	1313	1278	0	0	0	1898	2616	0	0	0	0	0	0	0	2605	912	1835	4879	116745	62860	7486	2984	3334	0	0	1735	0	0	1208	2477	2151	3729	0	2597	841	0	2472	0	Lipid	0.24	1.32	0.12
14	C23 H37 O9 N1	472.25412	472.25473	-0.084739216	472.25406	10109	11713	10001	12812	6369	6015	13414	29187	5511	3853	6442	8250	7450	5760	22697	22256	21416	7524	17432	10114	12486	9528	18032	24663	21761	9433	12671	0	22818	22846	16439	25270	22377	13392	5938	27675	16810	13554	16556	6843	0	8088	0	0	0	15276	8381	0	25524	19128	12602	12121	6385	0	10704	10432	4862	20369	11779	7897	22990	3235	9197	9382	9855	8136	8325	18390	0	7986	4770	13400	14154	28052	17047	18971	0	16663	14142	15880	13288	8724	12879	6118	14488	7157	17786	5691	8837	13848	14842	8819	24359	4745	8900	0	13047	18634	7378	8745	16947	17462	11599	20373	0	10133	11172	0	13949	7019	Lipid	0.39130434	1.6086956	0.04347826
10	C24 H33 O5 N5	472.25543	472.2561	-0.22724411	472.25534	3486	5820	2899	3470	1964	1489	3486	7013	1014	2206	0	2908	2086	1244	4193	4927	3018	1560	4261	5542	3110	3149	3136	7098	5325	1649	2306	0	8699	7286	6922	7336	8492	4732	6455	8367	5498	4770	4609	3587	2107	1314	0	0	0	2528	1996	0	6859	6752	3998	3179	1653	0	1478	0	1522	8146	0	0	0	1764	1509	2149	1069	1308	3859	2176	0	1651	1601	4685	5732	8921	2817	6836	0	5050	3012	131382	2705	1082	1282	1382	826	2439	2521	1979	2696	5251	112967	20775	8485	12480	0	0	3743	5421	1819	1629	1749	8042	3571	7320	0	5705	1195	0	3093	2856	Peptide	0.20833333	1.375	0.20833333
14	C27 H37 O6 N1	472.26938	472.26993	-0.061394114	472.26935	7004	8166	9697	7594	0	1705	0	4187	0	2070	5119	4497	0	0	1453	5333	4905	0	0	10312	9539	0	1174	6071	3682	7511	3285	0	3412	5515	3369	7226	54301	6966	6119	2917	789429	3520	3249	4918	0	1874	0	0	0	0	0	0	5825	3053	4398	7517	1742	0	0	0	934	6220	0	0	0	0	0	0	0	0	1952	7320	0	10494	9064	6369	5319	3100	4283	3187	0	3887	0	0	1142	0	0	1875	0	0	1158	0	1362	6024	6557	0	9667	0	3114	0	6076	7256	0	0	0	13913	4948	0	0	6107	0	0	0	0	Lipid	0.22222222	1.3703704	0.037037037
20	C27 H37 O6 N1	472.26938	472.2699	-0.116987914	472.26932	13491	9690	11984	9993	10845	5098	12435	14006	5927	16015	15138	12061	3244	4860	9041	19587	26833	3801	9818	16330	13470	9337	8174	11471	10899	33003	15858	18642	11531	14730	13326	12290	23020	13548	12594	14538	20379	12487	28592	10655	21567	8505	0	0	0	9053	6545	0	14386	14805	10279	10500	9190	0	6189	4155	5323	14538	5467	11726	9945	7356	5225	2378	4662	5532	7564	22615	24521	22703	39133	10276	12562	11523	17767	12030	0	9201	16552	12002	7877	3903	8830	9376	7681	6953	16808	6942	6925	29572	15677	13679	21906	6987	9735	0	10648	12391	4342	4304	5242	22927	9267	8923	5297	18217	5987	0	11976	2805	Lipid	0.22222222	1.3703704	0.037037037
18	C27 H37 O6 N1	472.26938	472.26996	0.003620954	472.26938	4741	7710	6149	6289	2378	1904	6397	7698	0	8387	7626	4802	0	2471	3296	6617	6367	0	0	11562	11510	0	2784	5323	4231	9377	5910	7654	5753	4890	5862	4688	16495	0	10022	4230	9650	4077	11376	5076	7206	3311	0	0	0	3261	3962	0	7433	5091	6267	6882	1641	0	0	0	2431	9499	31906	16761	7430	4605	0	0	1606	0	2228	16241	8829	8614	16570	2722	2994	5936	9311	8516	0	6355	6187	1891	4108	0	1814	3408	3211	0	6115	1976	4511	11207	6442	3734	16795	5541	5245	0	4593	4695	0	0	0	8061	6147	24860	23699	6181	0	0	4724	0	Lipid	0.22222222	1.3703704	0.037037037
16	C27 H37 O6 N1	472.26938	472.26993	-0.0448247	472.26935	24531	30285	25124	22227	15681	13644	52557	18508	13981	23067	37460	84186	6688	15454	29783	15448	99601	5448	6633	21590	15614	11096	12885	12377	27558	17014	79457	34599	13915	26098	30523	27172	33182	18183	12188	20062	221864	29183	55397	19702	25368	15095	29159	33838	26178	9312	19309	35737	30825	16590	25208	25028	15404	24445	8307	8347	22277	17542	16421	28353	19559	18194	25954	15492	21451	18957	17380	94870	23778	23338	28978	23920	24259	20911	16070	22428	29947	70178	15343	20041	17108	19407	15911	17563	8723	12360	17494	20072	19635	0	15408	7893	0	15774	12117	28417	20915	19523	15260	13266	13356	25869	70317	17576	51603	99255	11112	33534	27542	12995	Lipid	0.22222222	1.3703704	0.037037037
14	C20 H41 O11 N1	472.27524	472.27585	-0.14984904	472.27518	4837	5189	8055	3962	1399	2020	3518	2736	0	5655	11134	3268	1751	3188	1699	0	0	0	0	2261	1403	0	1182	3439	1637	1867	26180	8118	0	1745	0	0	1583	2207	0	2427	0	3141	2355	7837	6461	2252	11648	4561	3567	6023	15716	5477	2106	1694	0	4027	2298	5003	0	2331	3246	0	31412	5434	0	11710	6657	1396	5936	4278	4762	1371	0	4530	18941	1268	1959	0	0	1846	3836	3262	0	0	1415	4879	1466	2951	2297	0	1992	4629	1637	0	5299	2456	0	0	1871	4108	6209	3477	2906	0	1704	0	2590	8327	497369	0	1432	4873	1283	0	Lipid	0.55	2.05	0.05
6	C20 H41 O11 N1	472.27524	472.27637	0.21529362	472.27533	2438	3291	3925	2859	1246	5313	0	0	848	0	1530	0	0	1858	0	0	2404	602	666	0	0	651	0	0	685	0	0	33921	0	0	0	0	0	0	0	0	0	0	1836	0	0	16821	0	0	0	0	0	0	0	0	2669	2506	2671	0	3184	0	6713	0	0	0	0	0	0	14019	9248	11540	29430	3655	0	0	0	0	0	0	0	0	0	0	0	218910	0	0	0	0	1560	2836	0	0	1472	0	261383	96887	0	19008	2055	0	1815	2141	0	0	0	0	0	0	0	0	853	0	0	0	Lipid	0.55	2.05	0.05
2	C21 H37 O7 N5	472.27658	472.27716	0.03238747	472.27658	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8259	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41796	0	0	0	0	0	0	0	0	0	0	32579	9167	0	2254	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7619047	0.23809524
8	C21 H37 O7 N5	472.27658	472.27777	0.12775436	472.27664	1552	942	0	1389	0	0	0	0	0	0	1121	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18515	0	0	0	0	0	0	0	0	0	0	0	0	0	830	0	0	0	0	0	0	0	0	0	860	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2044	0	0	0	0	0	0	0	0	0	0	0	0	107686	0	0	0	0	0	0	0	0	0	0	144357	50192	0	8705	0	0	1740	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7619047	0.23809524
4	C21 H37 O7 N5	472.27658	472.27734	-0.002385095	472.27658	1085	569	855	868	0	3215	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	381	0	0	0	12558	0	0	0	0	433	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1513	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	141205	0	0	0	0	0	0	0	0	0	0	135182	31821	448	6572	1121	0	1365	1190	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7619047	0.23809524
10	C21 H37 O7 N5	472.27658	472.27734	0.023408728	472.27658	0	0	0	0	0	1253	0	0	0	0	1674	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5189	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1090	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20709	0	0	0	0	0	0	0	0	0	0	26858	5814	0	0	0	0	0	0	2253	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7619047	0.23809524
10	C24 H41 O8 N1	472.2905	472.2911	-0.049055222	472.29047	1299	1120	0	0	0	0	0	1189	0	0	0	1054	0	0	937	2316	0	0	0	0	0	0	0	0	0	0	0	0	1848	1725	1776	1043	1233	908	0	937	0	879	0	0	0	0	0	0	0	0	0	0	2602	1347	0	0	0	0	0	0	0	1838	0	0	0	0	0	0	0	0	0	1298	0	0	0	1383	1273	2441	0	0	0	0	1300	0	0	0	0	0	0	0	21591	0	0	7991	0	0	0	0	0	0	0	0	0	0	0	1159	1061	0	0	0	0	0	935	0	Lipid	0.33333334	1.7083334	0.041666668
20	C24 H41 O8 N1	472.2905	472.29105	-0.093150675	472.29044	6102	6200	7811	3945	4177	5206	27902	6525	5166	0	2000	6621	9413	4369	10215	9694	9139	0	16321	2053	0	0	2847	3786	11368	5668	26048	2237	11744	9531	7006	9595	12823	6570	1975	10779	11699	7456	9420	0	0	4569	703	0	0	4008	0	0	6585	7841	7210	6870	7233	247	13675	5961	3252	9461	2787	2282	7657	1587	6459	7807	5730	6108	6798	8350	1350	2004	1655	5089	8324	11267	9028	6480	0	6200	3789	5160	5283	1312	43904	25967	5657	5650	11339	4350	6665	7530	6646	8830	7735	2296	0	0	7200	5901	4915	8595	9436	9493	4215	3701	3037	5925	3374	0	5306	4613	Lipid	0.33333334	1.7083334	0.041666668
26	C24 H41 O8 N1	472.2905	472.2909	-0.13282669	472.29044	6975	5164	8308	6891	7868	4786	14183	7220	7912	4549	2367	0	11727	8728	7836	0	0	8463	18394	6997	0	3921	0	5977	8862	0	11416	9484	7041	0	7654	7633	10138	7861	8933	8430	15882	5927	0	4989	0	0	0	0	0	6262	0	0	7012	0	4702	5467	6686	0	18004	8566	4765	8184	10086	0	8120	3277	12413	9213	5192	19202	19493	0	0	2730	0	5752	5635	6904	0	6191	0	4343	5151	5258	0	3528	9400	2693	4980	0	3121	0	5570	4387	20864	22000	9781	0	0	0	6108	8435	3754	4090	5596	11699	0	5619	14180	6803	0	0	4913	7085	Lipid	0.33333334	1.7083334	0.041666668
18	C24 H41 O8 N1	472.2905	472.29092	-0.1594552	472.2904	4370	4219	4692	4678	0	0	6874	2877	1171	0	0	1982	0	1775	3716	43788	4259	0	2018	0	0	1603	2076	3302	11297	0	0	0	5410	5443	3323	3007	3839	0	0	2594	3458	2670	4141	2316	0	1699	0	0	0	0	0	0	4802	3034	3939	3310	1986	0	2268	2500	1856	82510	2043	1481	44040	0	0	0	1460	0	2055	4020	0	6683	0	1462	2875	4083	5202	0	0	2056	2271	1756	1528	0	6787	3795	2706	3811	3385	0	0	2916	3016	2644	0	0	0	0	2697	6769	1295	1553	5220	3948	2152	3395	0	19852	2339	0	5965	0	Lipid	0.33333334	1.7083334	0.041666668
16	C21 H45 O10 N1	472.3116	472.31235	-0.045609754	472.3116	65409	69900	74468	66556	9910	3562	0	78035	1340	62996	17945	0	11816	0	1757	130896	2559	6189	3105	85948	9344	15345	13649	28815	0	0	0	0	26897	17135	99717	456103	29182	42463	18060	28693	49419	0	5093	101025	12832	9721	25411	0	411	88868	216959	369	242662	49796	66788	64503	2581	20509	0	6628	10696	60656	269707	13201	57129	27682	11607	239093	0	3519	2185	13751	0	235934	23523	52405	92038	25220	31248	108185	268	0	0	0	0	0	0	0	0	0	0	8956	6182	0	214655	13656	0	0	52949	2048	82204	63758	13686	0	0	9414	22791	3646413	744864	17370	1065	310	0	0	Lipid	0.47619048	2.142857	0.04761905
10	C22 H41 O6 N5	472.31296	472.3137	-0.13336007	472.3129	1228	0	1520	0	0	1956	0	0	0	0	1713	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	54145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1128	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	181189	0	0	0	0	0	0	0	0	0	0	236576	95788	0	9304	0	0	1109	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.8636364	0.22727273
12	C22 H41 O6 N5	472.31296	472.3136	0.08424655	472.313	0	0	0	0	0	4633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45889	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	102529	0	0	0	0	0	0	0	0	0	0	123782	67797	0	2873	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.8636364	0.22727273
6	C22 H41 O6 N5	472.31296	472.3133	-0.15304199	472.3129	759	1418	0	0	0	1148	0	0	0	0	3724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1943	28419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1635	0	0	0	0	0	0	0	0	0	0	0	0	0	3898	0	3790	0	0	0	0	0	0	7404	4029	0	0	0	0	0	0	0	0	33320	0	0	0	0	0	0	0	0	0	0	22876	10272	0	0	3122	0	0	629	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.8636364	0.22727273
8	C22 H41 O6 N5	472.31296	472.31393	-0.08658962	472.31293	0	0	0	0	0	2571	0	0	0	0	839	0	0	0	0	1658	0	0	0	0	0	0	0	0	0	0	0	39995	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	119529	0	0	0	0	0	0	0	0	0	0	122528	53820	0	6702	0	0	1175	1362	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.27272728	1.8636364	0.22727273
24	C25 H45 O7 N1	472.32687	472.32703	-0.2173426	472.32678	1164	2258	1265	0	919	0	70520	1718	0	0	0	0	2322	4231	0	2547	0	1507	0	0	0	0	0	0	0	3075	52006	4360	0	1317	0	1718	0	0	0	1729	1272	938	1706	0	0	1181	0	0	0	0	0	0	1289	0	1818	0	1231	0	0	0	1075	0	0	0	0	0	0	0	4738	4741	3135	0	0	0	0	0	0	0	0	1153	0	1256	0	2074	0	0	17290	13870	0	0	0	0	0	0	4636	3791	0	0	0	0	0	0	0	0	2009	0	0	0	0	1256	0	0	0	1670	Lipid	0.28	1.8	0.04
26	C25 H45 O7 N1	472.32687	472.32703	-0.1752428	472.32678	2176	0	0	2772	0	0	71617	0	0	0	0	0	0	7347	0	0	0	0	0	0	0	0	0	0	0	0	51733	7997	0	0	0	0	0	0	0	0	1763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6920	0	0	2658	0	0	5335	6322	7305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11233	5092	0	0	5863	0	0	0	8987	6326	0	0	0	0	0	0	0	0	0	0	0	0	7889	0	0	0	0	0	Lipid	0.28	1.8	0.04
26	C26 H49 O6 N1	472.36325	472.36285	0.00396248	472.36328	0	0	0	0	0	0	53882	0	0	0	0	0	0	4644	0	0	0	0	0	0	0	0	0	0	0	0	40292	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2286	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2600	2425	0	0	0	0	0	0	2480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23076923	1.8846154	0.038461536
28	C21 H12 O13	473.03506	473.03568	0.06790723	473.0351	6397	4710	6897	7437	17038	8601	2469	0	13696	1458	0	2341	32134	7947	0	2368	0	23687	19436	0	0	3377	7044	0	2113	0	1275	0	0	0	1678	1200	2639	0	4134	0	2953	3319	0	0	1740	4078	0	0	0	2691	3488	2754	0	0	7316	5278	10453	0	18239	14208	6322	0	0	1455	3252	1043	33379	16213	4666	19611	3789	2797	0	0	1007	0	0	0	0	0	0	1704	9210	0	10622	0	0	0	24746	7729	8098	7271	5488	3236	0	1054	0	3551	4841	0	7730	4982	8843	18684	23768	4018	1142	0	2339	2324	13262	0	2808	27036	Phytochemical	0.61904764	0.5714286	0.0
24	C21 H12 O13	473.03506	473.03574	0.06307288	473.0351	2965	3397	3199	3280	9926	4927	0	0	9618	0	0	953	17148	2750	2625	0	0	13520	9473	0	0	3694	3294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1038	0	0	1097	2628	0	0	0	0	1372	0	0	0	1925	2602	3420	0	10624	6686	4319	0	0	0	1087	0	21043	10708	3435	14384	2484	0	0	0	0	0	0	0	0	0	0	0	4674	1366	5778	842	0	0	19548	4363	2055	1891	1869	1683	0	0	1350	4013	0	0	2141	3065	4980	13202	12632	2298	866	0	0	1217	13818	0	0	22262	Phytochemical	0.61904764	0.5714286	0.0
26	C21 H12 O13	473.03506	473.0355	-0.022236368	473.03506	3938	3859	5119	2914	13821	8973	0	0	12344	0	0	0	26408	8055	0	0	0	27989	19023	0	0	3811	0	0	0	0	0	0	0	0	0	0	0	0	1722	0	2160	2676	0	0	0	0	0	0	0	0	0	0	0	0	4405	4029	7796	0	10768	13233	6964	2159	0	0	0	0	24926	16021	3674	17169	3531	0	0	0	0	0	0	0	0	0	0	0	8457	0	10308	0	0	0	24951	0	5980	5859	4373	0	0	0	0	3395	0	0	6079	0	7321	14584	20406	0	0	0	0	2574	8117	0	2520	30825	Phytochemical	0.61904764	0.5714286	0.0
16	C22 H16 O12	473.07144	473.0721	0.019510224	473.07147	21481	15722	11942	19576	42772	14541	2549	0	47399	36563	19536	4204	67058	9279	5043	3207	2348	39818	39373	18269	34356	42557	12262	0	1849	1417	6022	3015	0	0	0	0	6846	0	58977	0	4639	6793	1522	16887	27108	10681	862	0	0	22598	36679	407	0	1030	15911	16080	24470	0	36063	39424	15435	2845	2373	4820	7640	12762	77529	35757	15101	47140	12980	1898	9913	6557	7387	2592	0	0	0	0	0	3502	27289	43362	17751	29074	1522	4259	57625	17621	15062	10032	10696	0	3425	6164	0	68626	51671	0	18182	14930	38501	64588	56651	4655	3444	2566	24569	0	38835	0	3290	66956	Phytochemical	0.54545456	0.72727275	0.0
22	C22 H16 O12	473.07144	473.07208	0.0688454	473.07147	11507	13613	13431	10921	35945	16871	3289	2102	38233	19085	5795	2503	45607	13137	5334	0	0	39546	25973	9083	13225	33235	11025	2624	0	0	3441	1911	0	0	1199	0	3701	0	16835	0	3650	4380	1334	5612	5887	4841	0	0	499	11464	13521	0	0	0	7787	10750	19997	234	33351	27052	14085	0	2666	3342	3123	7225	58366	33497	10316	35055	7096	2365	3197	5518	7302	0	0	0	1083	1432	806	2787	17795	18371	17208	12987	0	1632	46795	24138	13241	5131	9069	2292	0	3167	5292	31765	28556	0	10804	8795	22993	37009	38502	6622	2217	4010	13133	2400	28967	0	3173	55020	Phytochemical	0.54545456	0.72727275	0.0
18	C22 H16 O12	473.07144	473.07205	0.019907	473.07147	22213	23313	22708	18865	46999	21180	3911	0	50142	34301	18039	4926	87953	15639	10202	6160	3629	46999	46359	18627	15960	55738	14367	4637	1652	4396	4476	7494	0	0	0	0	3286	0	53818	0	2981	8621	1804	8599	19739	9576	1299	0	0	23376	38123	737	0	1551	22359	25587	28400	0	51525	49383	17585	7689	3078	2841	4325	16085	89504	48218	14152	55587	16581	2359	7432	5309	9596	1515	0	0	0	0	0	4190	24001	41951	23370	30533	1409	5832	53975	27709	19459	11712	18783	6577	4514	6371	7865	69211	58256	0	21628	13500	47907	63321	49820	5890	4150	4299	25874	3859	38100	0	3098	83502	Phytochemical	0.54545456	0.72727275	0.0
20	C22 H16 O12	473.07144	473.07202	-0.04011152	473.07144	18883	16989	21636	14765	39952	21666	3615	1838	47344	24356	12653	2837	73910	20642	8815	4258	1495	46030	43253	16582	17278	44996	11756	3644	4727	2262	4695	3543	1526	0	1855	0	4648	0	35539	0	4333	6440	1365	9722	14427	9876	1172	0	289	21472	33283	1588	0	0	21827	16535	25877	365	40443	38289	14637	3181	0	3720	3854	8062	81263	49815	18077	55769	11629	0	5821	4493	11365	0	0	0	0	0	390	3368	24413	30132	17790	20208	1224	0	54501	26455	17521	8058	11957	3187	5187	5447	2728	59131	41179	0	18393	19212	39064	61168	55428	3172	3274	3005	21397	4358	35848	0	2820	74693	Phytochemical	0.54545456	0.72727275	0.0
14	C22 H16 O12	473.07144	473.0722	0.07510304	473.0715	17509	16624	11280	8816	28391	9320	0	0	31968	24344	19711	1839	37135	5155	3232	2333	0	22841	17435	7777	22085	43085	8215	0	0	1617	1412	0	1342	0	1998	0	0	0	40102	0	1644	3744	1849	5553	23895	4281	0	0	0	11445	28794	361	0	0	12962	10073	14197	0	19670	25459	11539	0	0	0	0	7341	54275	28266	9162	24517	8230	3018	0	2583	9381	0	0	0	1451	0	0	2346	11728	25950	10943	18766	0	1684	35830	10512	8362	7151	8181	0	0	2421	0	53887	29327	0	13620	6906	29288	39556	33910	0	3916	0	0	1625	26332	0	1920	35534	Phytochemical	0.54545456	0.72727275	0.0
24	C22 H16 O12	473.07144	473.07208	0.08742645	473.0715	28005	35556	20574	30564	93090	40425	0	3453	65136	34143	6078	5571	128334	27168	5361	0	7671	98511	59946	12639	23433	62316	27183	8553	5847	0	8280	0	4752	0	0	0	5412	0	33615	0	10296	11229	0	6405	17127	7287	0	0	0	17268	36225	0	0	0	28959	32238	34856	0	81681	75822	24150	3522	11094	3672	0	11214	141657	82044	18432	93066	14781	4218	5103	8178	13041	0	0	0	0	0	0	5724	45474	31326	49431	26742	5049	6117	105873	53709	24429	12603	21411	7770	0	6822	10386	74487	78933	0	18255	23451	53709	83253	85224	0	0	12156	16995	5529	56493	0	5007	147576	Phytochemical	0.54545456	0.72727275	0.0
28	C22 H16 O12	473.07144	473.07202	0.08785989	473.0715	8269	7556	11258	9076	16847	9315	2394	0	17765	9144	1993	2687	35907	9874	2262	1894	0	31438	21503	6030	5054	13161	6856	0	4108	0	2472	0	0	0	1148	0	2933	0	13121	0	3115	2707	1079	4324	2793	2535	0	0	0	3819	6268	0	995	0	9617	6276	11112	0	24068	14212	5463	1839	1648	1427	1742	2892	33709	19162	5029	22089	3266	1301	0	2744	4900	0	0	0	0	1172	0	1001	10108	7205	11623	3221	2230	1592	27578	11751	8302	3764	6039	2181	2233	2838	2565	9563	17088	0	8733	7748	11355	19536	20054	3254	0	2327	5256	1422	15579	0	2687	34231	Phytochemical	0.54545456	0.72727275	0.0
26	C22 H16 O12	473.07144	473.072	-0.017556135	473.07144	9413	8259	3845	6178	20299	12188	1797	0	19896	6174	2181	0	39601	7635	0	0	0	36273	21647	0	6248	16105	8281	0	0	0	0	0	0	0	0	0	2296	0	14629	0	0	3483	0	2467	3498	0	0	0	0	5252	6454	0	0	0	11807	7690	11769	0	29999	20097	7562	1749	0	0	0	0	42023	22988	4584	28428	6058	0	0	3164	4315	0	0	0	0	0	0	0	15974	8224	12463	4519	0	0	27569	13378	9255	4349	4308	1461	1294	1914	0	16560	23762	0	9040	10051	14909	19573	22126	0	0	0	0	1831	17419	0	2731	41060	Phytochemical	0.54545456	0.72727275	0.0
18	C21 H16 O11 N2	473.08267	473.0834	0.025756933	473.0827	2390	5588	2200	0	4688	3091	0	0	3540	7071	0	0	8661	1857	0	0	0	2673	0	2110	6292	11181	0	0	0	0	0	0	0	0	0	0	0	0	6141	0	0	1340	0	2091	8646	2030	0	0	0	5152	11684	0	0	0	1685	3657	1307	0	8690	5523	1590	0	0	946	0	5218	11462	4384	1892	6362	0	0	1396	0	2118	0	0	0	0	0	0	0	4072	8933	2083	9923	0	0	5506	2526	0	1350	1324	0	0	0	0	20632	10783	0	1822	3964	4011	4368	4670	0	1936	0	4905	3106	3580	0	0	7818	Phytochemical	0.52380955	0.7619048	0.0952381
10	C19 H20 O14	473.0926	473.09348	0.2556633	473.0927	6016	4314	4148	4867	10406	4816	0	0	15606	0	2157	1706	29372	4579	2504	1865	1701	13002	9993	1960	3628	6987	4024	1822	0	0	2097	0	1217	981	964	0	1212	0	3540	0	0	2065	1350	1476	6217	2631	0	0	0	0	6105	0	1466	0	3537	5003	7397	0	10681	17526	5023	0	0	1728	0	2141	32971	14436	3621	18474	5078	1721	0	0	0	0	1082	0	1643	0	0	1579	2756	0	2931	3104	0	1432	15956	3869	1687	6440	5631	3053	0	0	3249	9452	4959	0	3654	4543	11630	20332	18112	2671	0	0	0	1517	12654	0	0	27555	Phytochemical	0.7368421	1.0526316	0.0
20	C14 H25 O14 S1 Na1	473.09354	473.09436	-0.072363175	473.0935	6614	5315	2446	4266	7850	4365	0	0	8998	20692	13763	887	5091	1826	3127	0	0	8785	4875	20108	9373	20034	2596	0	1514	16764	0	7134	0	0	0	0	0	0	32299	0	2245	0	0	12087	10292	1374	0	0	0	4543	10972	0	0	0	5540	4809	5546	0	5242	4148	3777	0	2068	2211	0	6904	6399	4549	0	3395	1812	0	18940	15899	21660	0	0	0	0	0	0	0	2333	15128	0	16698	0	10569	6291	1521	2102	1875	1678	0	3017	7908	0	26139	73330	0	5895	2635	7711	5845	3067	1480	0	2234	14935	0	6854	0	0	5316	Organosulfur	1.0	1.7857143	0.0
26	C23 H20 O11	473.10785	473.1084	-0.07130944	473.10782	11070	9993	8735	8654	12452	10785	0	0	22955	25460	6230	0	40003	10123	0	5335	0	27422	19097	14737	16769	20097	9219	0	0	7890	0	2869	0	0	0	0	1881	0	36195	0	2352	5257	0	8047	8064	0	0	0	0	13915	14779	0	0	0	9536	7151	10842	0	21986	15271	7937	0	2756	0	0	5350	32529	18428	4883	23022	5406	0	9394	19001	14573	0	0	0	0	0	0	0	12423	11060	10281	7013	0	5229	28176	7374	6939	3704	3036	1448	4280	3960	0	19931	36446	0	8516	10928	11783	20271	22479	0	0	0	0	2638	12107	0	0	37704	Phytochemical	0.47826087	0.8695652	0.0
10	C23 H20 O11	473.10785	473.10858	0.051849946	473.10785	9729	9530	6191	7805	9667	3745	2643	1953	11065	26091	22939	4411	14673	3929	2890	3465	3854	9097	11947	15292	22869	17762	4446	5387	0	9922	2801	4480	2045	2868	2568	3087	4239	2876	36976	1524	1601	5456	3778	8204	18338	2629	0	0	0	9537	25922	0	3469	1793	9175	12467	6955	0	13500	8729	4167	3695	3724	6668	0	6697	16005	9624	3934	10759	5797	4061	17953	21160	24280	2444	0	1121	3317	1653	0	2989	8133	9039	7997	11309	2486	4692	12420	5131	5804	3932	4196	4607	0	3568	0	16052	17697	0	8390	7081	13096	11862	12844	2199	3240	3501	0	2810	13890	0	1290	11244	Phytochemical	0.47826087	0.8695652	0.0
16	C23 H20 O11	473.10785	473.10852	2.77771E-4	473.10785	73144	80748	64056	62167	97539	48064	16915	19014	105035	235660	121118	17703	132175	40011	33091	26905	14468	121645	91755	146761	141885	163564	39123	29484	20057	77940	17179	80814	12479	10520	22074	17051	26308	12655	307889	11256	26546	30281	11355	95639	84830	26360	1621	0	0	110243	149010	0	21219	12127	75476	69845	57524	239	97188	72524	37403	31230	26315	21982	30865	62896	162456	77415	35088	107819	36168	13651	83972	117303	111408	15241	12346	6731	10991	15304	0	16278	58545	119991	44576	118004	21760	60036	99076	50566	54130	32867	34699	0	29890	54269	0	151417	167962	0	64573	63818	92278	85289	88827	23116	15871	28407	100215	27140	73189	0	23075	121792	Phytochemical	0.47826087	0.8695652	0.0
28	C23 H20 O11	473.10785	473.1084	0.0461949	473.10785	5903	6624	9703	6480	10534	7296	1649	0	12135	16973	4966	1571	24850	6515	1981	2904	0	17789	13062	8513	9598	12100	5650	3141	3255	7002	2805	4046	0	0	0	0	2019	1142	21397	0	1928	2536	0	5360	5460	0	0	0	0	8173	7570	0	0	0	7822	7859	7183	0	15017	11559	2862	1958	1886	1292	2255	4591	20995	11400	3864	14770	4428	826	5096	14037	11716	0	0	0	0	1561	0	1454	10308	5059	6363	7020	2031	4019	15325	7088	5271	3239	2620	1942	3780	4305	1627	11358	20223	0	6127	5674	10343	11131	11658	0	1832	2264	4904	1770	7256	0	1452	21388	Phytochemical	0.47826087	0.8695652	0.0
20	C23 H20 O11	473.10785	473.10843	0.006217995	473.10785	62506	58948	55271	46667	82504	49334	11112	12950	84088	172749	74379	13924	148048	46585	25985	17682	6463	104513	93877	111034	106812	117577	28702	16506	19947	65320	7928	45360	10332	6883	10513	7580	22346	9060	216029	6159	22863	18379	5328	74466	52979	22092	2158	0	0	91484	110359	681	10080	6730	52643	65441	47899	467	90262	73287	29097	20536	17317	9534	16529	53098	152819	83262	34146	100637	31059	7020	61314	89756	82014	6919	5107	2976	5492	5882	417	14036	59978	78215	37682	78005	13205	50870	93301	55726	35019	24812	30979	14541	31108	41777	26737	111446	133586	0	60589	53952	80648	83136	73755	12059	9778	21503	80835	15937	80789	0	19055	150940	Phytochemical	0.47826087	0.8695652	0.0
12	C23 H20 O11	473.10785	473.10855	0.056373764	473.10788	21837	25388	25564	32653	28092	9985	10869	7359	32951	80696	72659	8869	33310	11845	9388	10430	7331	25685	32932	39182	42417	52694	13166	8677	3405	28019	6987	23554	6069	5249	7059	6273	10195	5325	101490	3973	6646	8808	11452	27174	60412	7024	429	0	0	42058	86795	0	5051	4411	29061	30699	17156	0	31073	23842	13665	12985	7900	12100	0	16533	55161	24265	10827	28012	12971	9627	23962	42075	53773	7972	7160	4383	7864	4839	0	7737	20473	32529	17631	36169	5136	18303	26926	14896	18345	10868	11001	12472	2589	13017	12167	60170	52790	0	26523	24650	41666	26869	28684	10905	6149	8771	44889	8692	27779	0	7380	37890	Phytochemical	0.47826087	0.8695652	0.0
14	C23 H20 O11	473.10785	473.10855	0.034517165	473.10785	58690	50711	45934	43961	59518	30368	12383	10710	63728	171190	94457	13242	74341	30083	19472	22149	15980	56789	60541	93959	100488	110953	24206	15890	11197	51181	16081	51706	9358	9795	13736	13854	19879	10839	207225	10661	20502	25584	13709	63144	75092	21533	0	0	0	84357	135070	0	13629	9212	49675	55902	35440	0	55824	44961	23479	29710	20938	18023	27676	42295	97933	59768	23645	70333	24602	12060	78266	73921	88442	12538	10017	9418	8563	12429	0	12290	51848	74458	38111	78786	12034	33927	65018	36317	38633	19191	27590	24495	14269	29493	27527	102941	110320	0	47175	42915	59696	63718	66702	16524	13722	22563	110201	14901	50300	0	16273	78843	Phytochemical	0.47826087	0.8695652	0.0
10	C22 H20 O10 N2	473.11908	473.11984	0.09434664	473.1191	12391	11510	9958	8987	11419	5807	3562	3558	14083	34304	18200	3008	18248	3676	2401	4764	3010	11089	10691	23480	30760	30670	5174	3807	2785	8902	2099	6683	2316	1142	3892	3622	6216	1593	46264	2074	9088	2896	3952	21438	37316	3315	0	0	0	21911	49624	0	2708	1475	11382	12266	6239	0	14296	9750	5082	6664	3377	6062	0	18437	23633	16406	4064	13719	4435	4274	20028	21063	31302	3666	2455	1088	2275	2635	0	2975	11066	17675	5880	22678	3144	9912	18722	6435	7064	6042	4965	8882	0	4375	10443	36350	35054	0	9805	13270	7998	15785	13635	5581	3003	4964	19153	5558	9111	0	2457	19197	Phytochemical	0.45454547	0.90909094	0.09090909
22	C22 H20 O10 N2	473.11908	473.11966	0.01438383	473.11908	3434	4496	3296	4554	5059	5086	0	0	3718	12690	2962	1638	6501	0	2957	2710	0	6785	6394	5799	10827	15202	1187	2562	1934	1746	0	1964	0	0	1885	0	4007	1742	9283	1256	1721	1103	0	10476	8409	1261	0	0	0	15186	14649	0	3329	1804	3364	3895	5362	0	5120	5589	1914	0	1672	2387	0	9461	4111	5143	0	4193	2341	0	2383	2513	3694	0	0	0	0	0	0	2947	3269	7833	2216	7823	1251	3819	4863	2060	0	2561	2523	2309	2562	4069	5074	13535	21000	0	2570	2108	1899	5032	4069	0	1961	2494	9723	1788	5487	0	2527	9785	Phytochemical	0.45454547	0.90909094	0.09090909
12	C22 H20 O10 N2	473.11908	473.1198	0.05038912	473.1191	13672	16581	16240	15271	15934	9773	9902	5986	22092	59358	26757	6701	29472	6917	6470	6792	5050	14865	18982	38779	48492	60660	10287	6885	3109	12924	2662	11534	5322	2897	6869	4498	10540	5442	84521	4415	9572	7960	9275	35373	65084	6357	0	0	0	42390	60813	0	4945	3165	14439	13179	12916	0	33587	17845	7710	7063	5697	0	0	32452	35614	20797	6117	25790	10870	10435	36366	33068	50101	3599	3967	0	5301	3590	0	5074	14379	36035	7379	33402	4976	17053	22172	9763	14533	10571	8477	18362	8159	14049	14170	49882	30176	0	16674	17254	19090	23216	17899	6471	6089	3910	34549	9812	15902	0	4762	34073	Phytochemical	0.45454547	0.90909094	0.09090909
8	C22 H20 O10 N2	473.11908	473.11987	0.08807189	473.1191	4910	6563	3713	4113	4457	1825	791	0	7640	16979	12761	1123	11668	3223	1389	3119	1201	3797	8057	11208	18230	13365	1489	3013	0	3264	937	3237	0	0	0	0	2678	1118	23318	0	2951	1438	1945	9330	16406	2050	0	0	0	7489	21941	0	1511	948	5256	5751	3512	0	8026	6559	2528	0	1897	2296	0	7366	16347	8085	3529	6931	2084	1779	10694	6562	17097	1482	2071	0	0	1294	0	1278	3002	5223	2092	10418	893	5141	8030	0	2901	1998	2158	3509	0	0	2136	15772	11853	0	4780	4619	5508	7769	8143	0	1391	1837	0	2076	5119	0	0	11907	Phytochemical	0.45454547	0.90909094	0.09090909
20	C22 H20 O10 N2	473.11908	473.1197	0.016706446	473.11908	7418	5382	8351	8896	7845	3163	3587	2938	6534	26251	8628	3272	11329	6716	2854	0	1927	9727	6612	17835	19900	29971	1509	3224	2389	4659	2373	5670	2162	2661	1631	2239	3617	3126	23299	1561	3753	2360	0	18197	21684	3041	0	0	0	16636	23051	0	2638	2764	10158	7919	3764	0	10823	7290	4730	1510	1901	1868	2060	12908	19348	10363	3153	7882	5133	2448	4002	5228	9236	2946	1140	0	0	0	0	2165	7832	18946	5052	14185	1744	9740	9896	6310	8380	5046	4590	8383	6354	8266	13031	28239	29821	0	8531	6569	6198	8815	7900	4607	2889	3158	23315	5998	7010	0	3660	17707	Phytochemical	0.45454547	0.90909094	0.09090909
10	C20 H24 O13	473.12897	473.12982	0.28792244	473.1291	15944	19750	13341	16193	14222	10585	8412	11501	23510	27741	15085	9883	30919	4442	10747	8023	9297	17696	22343	16291	20151	21743	17635	11632	4031	1415	7222	3636	9987	6808	8870	8407	9867	6446	29736	8286	14780	13335	11132	11090	19682	9468	0	0	0	23233	38706	0	10764	10345	17859	14788	9501	0	26550	14884	8501	9376	9885	14501	9530	9670	30658	17990	11141	18539	12698	15647	0	4510	6669	9496	11015	8072	9781	7645	0	9215	15346	10777	12973	16256	4451	6083	17616	8507	10254	10325	9613	9150	0	8714	17891	23765	22254	0	15249	19190	17528	18950	15140	10448	11459	9504	14069	10638	12305	0	6404	32451	Phytochemical	0.65	1.2	0.0
12	C20 H24 O13	473.12897	473.12973	0.116897926	473.12903	36626	32051	32494	30409	34539	23723	16160	35311	46601	48996	28593	25339	51315	9059	26549	17568	19336	57792	53269	45228	46449	69141	28267	27761	17144	4353	12146	10328	31057	23646	30911	26348	30153	24877	68527	22084	30736	23528	17674	38410	36066	25463	0	0	0	55775	89175	0	17916	28542	32082	43592	34976	0	68078	28246	20429	47055	23809	19682	17511	34920	78251	58982	19834	37934	30621	16532	18871	14011	16106	22764	14955	27033	22704	21141	0	32324	42671	33703	25555	50213	17494	11563	28699	23691	26874	21365	22728	38935	24376	31423	44394	52038	39082	0	46979	37022	39996	27046	30914	26501	19912	27938	67303	32157	27663	0	20907	76081	Phytochemical	0.65	1.2	0.0
14	C20 H24 O13	473.12897	473.12967	0.068986334	473.129	502840	485244	386592	431280	360364	365920	218508	391144	551116	427294	269372	343172	804396	201512	424664	259024	252968	696644	611304	432988	417032	733840	490936	431428	166800	169910	143604	44928	339748	251404	300968	141496	498520	251400	775736	355988	376488	311900	283864	416558	355072	382328	0	0	0	517612	841244	0	328936	405500	408100	465748	315468	0	882340	346660	272493	382508	553008	215652	108172	433872	698860	624860	223444	454444	346700	184328	0	235292	254902	395836	256184	317352	245536	257584	0	363992	236236	173736	277552	519940	173516	139172	319942	240524	234056	294672	422012	270204	215172	324272	421204	418196	451972	0	510684	340504	325836	219566	321972	517300	283828	384128	701316	433780	276352	0	154448	788236	Phytochemical	0.65	1.2	0.0
22	C15 H29 O13 S1 Na1	473.12994	473.13037	-0.18774569	473.12985	8588	14740	6341	7895	8901	9059	1287	0	6858	39862	25618	2617	4103	0	2484	1702	0	0	4906	27437	23183	28278	3732	4467	3777	36712	1141	23286	2196	0	1478	0	5501	1239	49581	2349	0	0	0	46291	22806	4159	0	0	0	23132	26725	0	1751	1122	5956	16852	6708	0	6688	5522	0	2414	5176	1804	5166	32890	4918	9327	2687	6670	3175	3317	73562	48091	97958	2034	0	1634	3786	2251	0	2150	2568	26921	3222	17846	3507	32640	16307	5738	1917	0	5134	1344	11981	9061	1542	28368	39081	0	7308	12168	4862	3640	5206	4659	1240	6441	22095	4749	4193	0	0	14367	Organosulfur	0.8666667	1.9333333	0.0
14	C26 H25 O5 S1 Na1	473.1393	473.14026	0.6719984	473.13965	54116	52616	37324	36412	27164	33908	22860	41164	41440	28313	22436	39376	64928	20360	45092	26456	29540	67720	55844	32692	31092	46424	50100	48596	16104	18873	15984	0	37228	26828	30796	0	56360	24452	68396	41944	33928	29008	34096	39243	31660	45800	0	0	0	38228	66628	0	37460	49940	42336	46404	22864	0	82044	31836	26276	44628	60432	23040	0	43972	51748	50204	22844	38188	33728	19404	0	22664	17973	43436	26700	32468	29956	27140	0	41184	19412	0	27476	35748	17452	11808	28607	20896	21160	33444	48564	31620	20580	32120	43712	27876	40732	0	47348	22120	26416	15069	26720	65184	29044	40888	65668	47756	23912	0	14400	67608	Organosulfur	0.1923077	0.96153843	0.0
10	C19 H24 O12 N2	473.1402	473.14093	0.076234445	473.14023	19012	10404	14682	11379	7612	5832	5993	14369	12970	6824	5856	14070	19941	2003	9173	12940	15016	16686	19719	8471	18914	22524	16224	15310	4016	0	4921	0	9529	10227	11117	10147	16382	10911	13006	11445	20505	11370	15124	8969	15382	10288	0	0	0	12698	14960	0	10580	11252	15023	12836	9256	0	20872	12303	6185	9028	13335	11473	22837	6890	25657	22420	11064	18415	8686	17178	0	0	0	11317	9909	9804	11741	9252	0	7262	8977	0	7852	9492	3857	0	12289	6609	8564	12238	10860	15299	3626	7886	21410	13842	7925	0	14418	14124	7834	8211	9448	15926	12075	9362	0	16787	9736	0	7896	19520	Phytochemical	0.6315789	1.2631578	0.10526316
12	C24 H24 O10	473.14423	473.14493	0.003169602	473.14423	44272	41903	39961	35955	24991	14325	26799	29805	31804	103332	75389	21439	26580	15529	22045	39646	22625	26960	34603	71037	85506	74039	28309	38098	17090	59613	24586	31277	24558	24582	27789	28530	23212	20048	112436	21881	26290	23844	30590	47590	66017	13712	566	0	0	64223	93194	0	26368	27552	48190	41875	22196	0	28567	21333	15735	25927	22954	21788	28487	38241	38168	25684	13696	24856	13246	32550	50066	73858	105120	22481	23645	26496	24979	26581	0	20768	40254	0	31439	50692	24079	38500	28274	16508	30223	12389	16952	30247	21710	28407	28847	57719	49898	0	44610	47839	37694	27717	20169	31791	20627	32538	61473	29589	24130	0	26070	33852	Phytochemical	0.41666666	1.0	0.0
14	C24 H24 O10	473.14423	473.14493	0.005955915	473.14423	101598	113176	83690	88442	63725	50583	46956	60564	83332	254618	160855	44658	79751	43004	45040	63176	50248	76711	85028	191490	163817	146386	58837	73188	40389	155564	44962	126712	46590	48598	53518	53253	54405	46835	283222	55687	52395	53240	42804	114742	153502	40971	0	0	242	126360	163933	0	56317	55952	101532	85102	51980	337	67450	57865	40351	71748	69429	50554	59952	85286	88741	68551	34478	70826	45206	52042	154051	202408	230970	57556	51308	53972	45010	59662	0	44573	71237	87320	68537	116449	47050	92025	69790	45727	60956	45688	39096	79457	68916	58017	68692	103642	115932	602	94561	83986	68246	73543	59755	48874	42686	73925	168238	50525	56655	0	48905	77346	Phytochemical	0.41666666	1.0	0.0
28	C24 H24 O10	473.14423	473.14474	-0.06711644	473.1442	11029	9643	8626	7527	15860	9781	1602	0	14560	28745	7970	2786	30056	8050	0	3316	0	15901	14603	23310	21091	11710	5796	4576	0	18613	2877	8974	0	0	0	0	3512	2723	32645	0	2977	2589	0	8807	9869	0	0	0	0	12202	10465	0	1600	0	7884	9314	9242	0	19295	12877	4864	3338	2421	0	4796	7243	26039	11902	4531	18639	5827	2142	16522	32997	32253	0	1574	0	0	2104	0	1755	10209	9029	7080	6336	0	6309	23623	10061	9272	3753	3302	2541	5653	5964	4208	11774	18338	0	9878	8838	10865	16924	17476	3092	0	0	7896	2590	10655	0	2356	21022	Phytochemical	0.41666666	1.0	0.0
10	C24 H24 O10	473.14423	473.14493	-0.0217982	473.14423	18674	14894	13736	12708	7510	4438	7840	9154	10595	35221	16770	7725	8201	5781	7936	14135	8560	7959	9155	28254	24702	19521	11030	13515	4172	24901	8734	9045	7501	5894	9337	10312	8283	5474	38183	9529	8106	10722	10831	16543	18469	5092	0	0	0	15906	25662	0	12391	12200	16340	13109	5186	0	10371	6647	5632	11972	6583	13129	13552	12892	10194	7119	5808	6894	7267	12136	22083	24074	33566	7832	8464	9258	9806	9491	0	7660	14793	7742	11193	16822	10617	7959	10216	4419	12669	4485	5722	15575	4699	4257	8177	13236	13651	0	10838	13220	12060	7855	8325	11461	6714	11685	16324	6722	4940	0	7640	6805	Phytochemical	0.41666666	1.0	0.0
24	C24 H24 O10	473.14423	473.14478	-0.017888494	473.14423	39627	38285	34153	38209	49265	29777	7143	9818	57364	116696	46847	8247	86300	30180	14590	13149	7788	52946	51413	77514	71541	54686	24438	19870	11183	70112	4498	31194	10303	7349	12020	9115	9481	8321	123550	7809	16942	12632	6511	52153	32946	9526	0	0	0	50684	54978	0	11273	8433	36223	33150	32956	0	59859	45205	18432	15334	12034	8142	10719	34965	87614	44300	20094	52228	20176	6777	64983	110287	99580	8301	6519	4360	5587	8094	0	7103	37717	26931	26068	36649	10527	28794	77523	26776	26450	15768	14713	8052	15610	21459	19444	44532	62205	0	36961	36497	42483	47251	44619	9762	7586	15144	33849	9637	38926	0	11966	76839	Phytochemical	0.41666666	1.0	0.0
26	C24 H24 O10	473.14423	473.14474	-0.042579	473.1442	17231	15878	18638	15428	29217	10580	1880	0	32791	56680	21814	3568	49653	12967	7994	6099	0	34463	29717	39381	47434	26936	9975	7112	0	30799	3355	14540	6958	0	3095	0	5413	0	66541	0	8143	5622	4714	21468	19476	0	0	0	0	26055	29461	0	5238	0	20501	15293	19216	0	35398	31751	11199	4590	4812	4103	4972	13577	49311	28453	7539	32198	13564	2979	35719	57854	58827	4446	0	0	0	3873	0	4026	21795	21854	15402	19247	4376	16669	37172	14033	12429	6867	7791	4117	5652	10810	5910	26092	38891	0	14514	16371	23115	25161	30497	6216	3522	0	12336	4775	16211	0	5949	44597	Phytochemical	0.41666666	1.0	0.0
6	C23 H24 O9 N2	473.15546	473.15628	0.013801471	473.15546	7499	5451	5561	5600	5747	3423	1984	4013	6618	20255	12239	2693	8482	1445	1759	6135	4145	5408	6253	15390	21261	13550	2841	5253	1221	7149	2583	4724	2668	2550	4122	4051	4274	1820	22247	2930	4025	2580	4017	10812	18414	2876	0	0	0	10853	18974	0	3714	2602	7276	6160	2339	0	6573	4373	2233	3363	2496	4159	3526	9560	10531	7099	1308	6608	4233	3741	10687	11836	17631	2213	2261	1753	0	2754	0	2892	3991	7097	4414	6562	2626	6882	5722	2047	4183	2329	3193	7083	5389	6338	9226	13866	14443	0	7771	5749	2911	6188	7984	4955	1898	5622	0	3871	2915	0	2891	9029	Phytochemical	0.39130434	1.0434783	0.08695652
8	C23 H24 O9 N2	473.15546	473.15622	-0.005623695	473.15546	16751	18162	15968	13479	10483	7063	6412	10627	13751	48786	27557	6663	18351	5406	5841	9295	10864	11178	14478	37383	44058	35158	8762	14720	6232	17558	5877	15163	7295	7390	7346	9209	10437	7450	66081	6612	11545	6150	11476	42523	47010	6866	0	0	0	31832	37106	0	9475	9294	17308	20207	9509	0	16877	11131	5768	10635	6458	11932	9007	27563	19471	11635	4509	15578	6277	12468	25004	33973	52552	8647	8286	5345	4796	9726	0	5392	16714	17088	8394	16037	6441	17868	12295	6040	10308	6460	8065	21327	11044	10853	13028	27651	42007	0	15133	17357	11383	15507	14112	8911	4718	10350	11496	9975	9949	0	8392	15216	Phytochemical	0.39130434	1.0434783	0.08695652
10	C23 H24 O9 N2	473.15546	473.1562	-0.020913135	473.15546	32569	29568	25833	26628	24252	11780	13235	16398	22085	97066	46906	14233	24874	9513	11604	19251	13683	23164	25200	76229	77602	55830	16127	23582	13693	38234	13537	29965	15481	15057	13561	15248	24581	13507	95273	13932	25447	11280	21098	68380	66817	13359	0	0	0	52477	60426	0	21574	19593	30219	32338	17965	0	28552	19002	10429	25470	12922	17507	20766	43527	35336	20086	9440	28347	14003	24513	46008	64940	77269	15461	10205	14545	10116	14326	0	11023	21373	32880	18008	33449	11885	28785	16416	12975	23543	12618	14143	28971	25313	26973	37308	47089	61321	0	28559	27431	14261	23324	18806	18218	8250	26351	41019	19404	18354	0	13193	29248	Phytochemical	0.39130434	1.0434783	0.08695652
14	C21 H28 O12	473.16534	473.16605	0.029452277	473.16537	324228	317796	270030	299384	189310	170532	180414	288794	280148	694354	327110	134904	322626	129234	355340	236398	185304	259932	305778	593530	589538	580242	244142	330140	217294	265414	141238	293286	267164	196180	220338	229746	301892	188658	851134	225816	263946	188382	193964	621364	465654	141932	0	0	0	462910	433452	0	248954	229926	293256	291872	195384	0	382088	186672	130210	290178	340172	178482	246140	395670	334468	285256	123252	264374	177458	199548	305054	496610	424464	331916	216986	211234	160216	201696	0	184876	243426	340368	201090	317758	201268	296632	199568	115864	195826	151722	169758	288204	265490	319766	485352	562128	485284	0	336356	293146	180764	218322	235140	234672	148708	309312	356838	266934	178992	0	182518	296464	Lipid	0.5714286	1.3333334	0.0
12	C21 H28 O12	473.16534	473.16614	0.17418157	473.16544	102669	79818	94305	75660	43644	49539	62190	233100	69453	160161	73146	70194	57159	20310	170529	66135	64782	141372	157266	129213	255396	103614	104277	99378	67872	34785	59907	62607	94962	101466	221163	108369	223257	188928	176997	196884	182778	84063	76995	198132	90933	45894	0	0	0	247884	87465	0	175596	194706	90270	101499	44883	0	97590	37440	38214	87678	131916	66351	67173	68331	167970	81051	30150	63480	45531	79287	52284	51330	51600	95283	106626	100101	76083	155769	0	138462	88644	0	149085	91625	141753	55941	62274	40056	72264	36993	52416	80442	55872	110595	104868	76938	97044	0	98847	104658	58848	43800	35766	112794	127236	94152	98889	93261	40599	0	58557	186006	Lipid	0.5714286	1.3333334	0.0
10	C20 H28 O11 N2	473.17657	473.17728	-0.038643602	473.17657	18520	19450	16442	14176	7708	10401	11853	23532	15023	9166	6990	12342	16468	2006	18431	16969	11575	15160	18482	12797	10963	25375	17252	25521	13341	0	14918	3776	19456	18542	21234	19894	21359	13394	16712	19236	23639	17191	14893	15299	8656	11405	0	0	0	14504	11258	0	22227	21175	16917	15959	10275	0	19733	9573	7321	22559	25068	9258	19380	6416	15365	14000	5402	13249	8937	16763	0	0	0	22420	16748	19840	10240	15533	0	13390	12903	0	12995	8766	10831	3843	7379	8502	14449	11862	14350	17814	14647	22166	40205	11839	11466	0	19635	18601	4711	6600	4999	19727	13355	21769	0	21465	6706	0	10835	20351	Lipid	0.55	1.4	0.1
14	C20 H28 O11 N2	473.17657	473.1773	0.08029115	473.17664	12045	13126	14636	15153	5210	8801	13026	24645	14862	11557	7344	9614	13071	4781	26523	15848	8091	17961	19303	18853	16829	30373	22934	19637	20607	2631	7874	0	23898	20260	15087	18068	26410	14778	15307	24880	22951	17608	9437	13089	4884	14386	0	0	0	17250	10385	0	19318	21982	13134	11949	7119	0	24000	11135	8855	27235	35366	0	22087	13962	13384	18052	4115	11910	9572	8288	0	8018	4634	21534	18917	25337	9956	17404	0	14812	11130	0	10045	10088	12751	4770	6446	8093	10244	12957	11914	0	16387	27061	45621	6549	7893	0	13211	18705	5334	7163	0	16466	12697	22169	0	24902	7454	0	11402	13103	Lipid	0.55	1.4	0.1
22	C25 H28 O9	473.1806	473.18118	-0.013820189	473.1806	241560	238360	213553	237237	258464	177403	85807	153328	282280	639275	312346	94013	312354	173489	150134	161430	84841	311731	283713	548453	514563	272797	169093	190971	143280	572025	76590	304963	142784	110447	143078	146641	155906	132383	693257	130916	185605	119102	91720	341362	254413	111352	6464	0	0	291669	225920	0	138898	130912	220429	234525	182762	1782	283296	206452	123729	164635	144563	84531	167923	237010	335964	213644	107820	270109	156706	93837	445921	895229	725737	144066	109147	113627	71122	120067	1290	113101	215341	124918	174538	194426	104787	214302	270252	144784	193382	121846	129838	129064	162829	207796	214727	184627	278206	0	233812	210032	204683	231073	207535	142780	102091	160351	191171	151736	198715	0	119482	353315	Phytochemical	0.36	1.12	0.0
16	C25 H28 O9	473.1806	473.18124	-0.034398254	473.1806	225077	232191	215900	213368	168341	114936	132626	193202	182967	419196	268974	135841	184601	109201	152885	208285	155253	179024	212368	408029	392108	208780	189990	206319	132874	481137	134005	217757	144114	168506	192869	196885	188866	155768	450798	173616	179155	145004	176639	296990	286848	108093	4032	535	469	211555	230106	0	199500	180791	235990	234413	138605	963	167582	144490	101618	210103	167774	157435	197740	179975	204347	158610	91532	179742	119806	176145	374503	546555	604259	161852	177375	172039	151311	181328	0	141745	238011	146274	188602	186388	156692	217022	188280	107217	210651	101316	131007	248135	179791	160041	260528	165565	205339	1268	220276	222368	164799	160952	167873	182768	123112	196168	147271	197237	152966	719	166913	209459	Phytochemical	0.36	1.12	0.0
28	C25 H28 O9	473.1806	473.18115	-0.060180616	473.18057	17553	14356	12989	13638	24822	11861	2868	8826	21985	42611	20964	3950	41956	14884	8524	9269	8427	24354	29182	34778	35100	14726	11256	10644	8049	43730	4660	20262	6429	7709	5003	5818	8099	6261	45983	7088	11177	5794	6260	20903	19455	6332	1161	0	0	14060	18557	0	11346	8289	14762	16962	15438	0	20486	23033	7407	8015	7490	4086	9988	11490	31663	16412	6977	29492	9870	5916	43511	64258	71615	8142	4338	2784	0	5544	0	6508	16969	12371	12850	12558	6929	15177	25410	10070	17035	7108	8867	7398	12001	11483	15157	13059	23973	0	14410	15587	15194	25913	24805	9177	4327	11073	7840	9786	15820	0	6823	26430	Phytochemical	0.36	1.12	0.0
26	C25 H28 O9	473.1806	473.18118	-0.051852286	473.18057	42924	40365	39198	36439	48152	26303	9064	22262	57376	88755	42375	13903	87197	32817	17539	23703	8822	53461	58615	83442	86894	41128	29335	27308	15221	89621	10674	39738	17805	12179	19364	16921	22053	15072	106805	17704	24609	16968	14485	56988	43961	18203	0	0	0	45554	52136	0	20611	12503	41552	34403	33803	0	55692	54707	22740	22599	17667	11858	26579	36882	71874	43076	14064	50777	25481	14887	104272	129813	138922	22609	13208	12065	0	13059	0	19489	43549	24518	33502	27489	13320	32972	67351	28573	31786	20318	20453	18318	24275	23170	34451	37000	51808	0	38989	40379	35803	55137	58776	22883	13686	22363	26581	18443	36573	0	15282	70655	Phytochemical	0.36	1.12	0.0
14	C25 H28 O9	473.1806	473.18127	-0.055333562	473.18057	111468	124920	104216	116557	60184	53305	93691	97448	69722	162513	131021	77601	69012	39615	75864	118043	90360	63237	85849	187848	167456	134445	81424	106687	67822	174721	73978	113140	78238	91550	78951	118163	87459	75771	186579	89337	79957	71668	101147	122678	155794	49987	0	0	294	101644	139661	0	99018	94064	127251	106461	55778	302	81493	57211	44298	113455	99474	105419	98685	91519	82311	68642	41556	69341	54286	100202	166886	198777	258812	71016	79068	94969	84633	105080	0	63515	103452	71435	99331	90529	83026	100907	80100	52531	109195	51765	62764	142842	80140	85594	99224	77634	86029	624	106929	105780	67089	74125	67320	88669	69473	120071	81674	87100	65974	0	83682	66487	Phytochemical	0.36	1.12	0.0
24	C25 H28 O9	473.1806	473.18115	-0.0340336	473.1806	86897	100172	92414	100704	119590	84464	29159	60325	128184	247548	119361	38150	184140	77104	58827	66805	30751	129510	145228	224467	214281	101000	75106	70633	51991	237451	32274	104767	44561	44053	41940	46092	57872	47274	300207	40000	73002	46811	38282	144918	106741	43905	3860	0	0	107964	99317	0	52918	40223	95433	90581	79076	0	130735	104692	48842	64688	52174	29654	65184	94062	167086	104842	46545	129256	61543	34939	217501	347847	316706	58054	39089	35840	29885	44027	0	47589	99069	57908	79425	80629	40267	102334	141099	74180	83049	43707	53656	55175	66981	72676	87518	75291	107397	0	99800	97549	94645	116026	114653	62190	35841	60299	73071	61861	81849	0	45135	171939	Phytochemical	0.36	1.12	0.0
18	C25 H28 O9	473.1806	473.1812	-0.03095335	473.1806	376809	395966	338114	344322	293210	202502	178742	281349	297184	786140	469362	176414	345796	189020	232269	302640	195661	312124	396618	767383	735312	362587	258145	304904	197401	849740	170414	423583	271511	241888	259845	266851	316193	264757	846803	241941	281907	219224	216936	524804	425155	173077	8174	1071	627	385049	325679	1020	264449	248980	349605	336007	230757	1114	334785	248061	178961	282007	245773	177546	285645	326374	395925	271824	149708	294104	218290	242229	660830	1043165	1054029	263159	205981	226828	196145	279918	435	186455	333183	218930	292984	291641	216068	366691	316184	204622	282831	183270	196386	245823	295767	291658	373514	240638	345459	1959	344910	328773	284104	257785	267112	252109	182028	298569	216917	238977	234295	894	218136	361825	Phytochemical	0.36	1.12	0.0
10	C25 H28 O9	473.1806	473.18134	0.018634154	473.1806	12620	9046	10950	8899	2978	2372	6351	10414	5985	12131	7043	6985	1369	2871	6735	13393	9686	5339	4750	10646	11436	10961	7770	16641	4716	13362	12767	3287	9245	10829	10134	10740	11505	7341	20438	11039	7000	7935	12300	10238	10913	2113	0	0	0	12197	13839	0	8980	10991	9746	13173	4298	0	7732	3331	3865	12579	10327	10963	0	5946	6284	5087	3669	3613	3975	13446	9225	14923	18663	11880	9376	10778	10210	10192	0	6698	12175	0	10473	8616	9935	8905	6732	3222	9619	2321	4890	13224	13271	8307	12485	5360	10324	0	7954	10298	5570	4973	4617	8888	6546	8303	0	9967	4421	0	8125	3724	Phytochemical	0.36	1.12	0.0
10	C24 H28 O8 N2	473.19183	473.19254	-0.07977212	473.1918	31422	31348	26862	23649	15283	15642	10971	26499	17191	60766	27649	12107	21654	13995	17688	22618	18670	17217	25701	61187	64493	50597	21054	31199	16889	36041	14757	29157	24619	18937	19734	22909	29188	17913	70593	19659	25871	16747	23309	52717	44147	12857	0	0	0	35933	35175	0	28186	16162	30053	30703	14314	0	22989	16086	9086	27436	10673	20541	16970	24407	21806	16923	5503	19632	14716	26302	33436	57470	53093	22010	16908	13585	16748	19197	0	14953	23118	25065	16569	17638	16011	34188	14875	9294	20913	14774	15698	29707	35005	32151	37850	29544	57423	0	27547	31114	10134	17789	20301	26772	14605	27586	16030	28082	13003	0	15554	20452	Phytochemical	0.33333334	1.1666666	0.083333336
26	C29 H28 O6	473.19586	473.19635	-0.07383447	473.19583	0	3262	0	0	2166	0	0	0	2839	0	6109	0	0	2324	0	0	0	0	0	0	0	0	0	0	0	25728	0	6624	0	0	0	0	0	0	2977	0	0	0	0	0	6639	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2051	0	0	2340	3711	0	21403	7219	21698	0	0	0	0	0	0	0	0	0	0	0	0	5115	0	0	2280	0	0	1978	1534	0	0	3573	0	0	2238	0	0	5504	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.20689656	0.9655172	0.0
24	C29 H28 O6	473.19586	473.1963	-0.20140745	473.19577	5183	5280	6343	4620	3930	1518	3215	2059	3470	5142	18085	3090	0	4431	1834	2184	8111	2875	3998	5246	8018	2794	4507	3064	4090	37975	1498	13492	0	0	2607	2486	6312	2582	6033	2785	5637	2100	10346	7580	11451	2730	0	0	0	3688	5171	0	2070	3209	4431	4846	4947	0	3101	3726	2596	1877	0	3221	2610	4904	3208	3064	1555	3939	5842	8165	36613	22678	36648	0	0	0	2481	2195	0	2398	6377	5859	2876	3725	2623	8447	3646	3618	5386	4332	3066	5666	4029	0	4536	3966	4417	0	1460	4351	5593	4307	3304	4777	1729	3330	3952	2218	2907	0	3760	0	Phytochemical	0.20689656	0.9655172	0.0
2	C21 H32 O10 N2	473.21298	473.21393	0.17298532	473.21304	12200	12056	18860	10464	0	0	7284	9652	3932	0	0	13968	3444	0	6772	0	28592	4064	5716	0	2732	7400	9484	6384	3224	0	0	0	14580	10628	13120	13772	17480	13390	4764	14892	16904	9204	34304	2024	2340	0	0	0	0	2828	2244	0	11296	7476	12440	5052	0	0	4340	2556	3020	9680	3616	2732	3228	1184	4128	5640	0	2440	2712	34032	0	0	0	12668	15684	36100	0	14104	0	8336	5272	0	4092	0	1684	0	4192	2592	7808	4640	5152	19068	0	9360	20876	3204	0	0	7308	8200	2864	2724	2316	13824	11419	3684	1204	7796	2352	0	6792	6496	Lipid	0.47619048	1.5238096	0.0952381
12	C26 H32 O8	473.21698	473.2177	-0.0239493	473.21698	19618	24361	19320	16534	3870	3952	16538	20165	8076	15204	12852	15887	4972	2948	11830	25722	28845	3867	8974	20179	12149	20666	12513	19722	10429	12159	23494	0	12185	20500	15860	20422	19804	10904	14150	18419	14609	15741	24532	11197	19734	9706	0	0	657	18044	20210	0	16868	26012	20288	17909	7755	406	8858	7825	6049	18614	13909	20377	27680	7580	7556	6578	4620	5062	7589	26174	0	18335	23357	10610	13876	22893	23665	16601	0	10597	22448	0	15473	9385	16538	10738	8241	7302	25279	6119	5562	38284	14450	13289	24422	7587	13201	0	20288	16405	8148	8594	9476	20725	12627	18717	0	13077	7075	0	17968	3290	Phytochemical	0.30769232	1.2307693	0.0
22	C26 H32 O8	473.21698	473.2176	-0.004576473	473.21698	604483	655044	537208	590625	613156	397709	271869	517325	604139	1152029	746548	316626	584492	379297	443530	538619	325730	648441	643288	1359867	1293319	589538	505632	590309	424154	1576914	247722	735074	466342	412031	431152	479361	549251	397770	1352059	435871	583933	396379	336029	802001	623322	332480	15897	0	1105	533375	441618	2721	471103	420794	606751	592054	453282	2514	672119	494018	319178	501029	433047	279633	523112	540467	696408	521297	257089	557145	374837	345682	1197013	2131757	1902092	445507	396095	378790	276893	431953	1066	360439	601417	304405	478621	369669	356925	537680	583923	369634	524715	319201	374458	420160	543922	602837	628199	373803	562586	0	562175	577551	458133	523389	451264	530726	346916	540972	346229	456094	468718	0	397507	683398	Phytochemical	0.30769232	1.2307693	0.0
14	C26 H32 O8	473.21698	473.21762	-0.105078205	473.21695	65565	69919	66098	54221	33294	23581	57078	59445	39726	55882	43432	51582	25675	21987	45751	81579	78937	31738	44905	62941	65730	52303	54627	73874	50724	69056	60918	35986	41801	63325	55005	68092	62769	32775	53299	59502	43856	52374	82948	44926	59675	26447	0	0	0	50255	59365	0	65971	62763	58657	59323	31846	362	40820	27871	31046	70994	51298	71320	67462	30113	37732	38891	26237	30057	27474	87499	68763	72612	95493	31971	42174	62991	65627	54562	0	44152	75097	45264	68333	42551	56119	41323	41143	38025	79930	27224	28754	131075	53524	55501	76708	39537	35801	790	62483	53060	34029	45139	46114	54922	41723	71647	41076	57421	38639	0	61839	24919	Phytochemical	0.30769232	1.2307693	0.0
24	C26 H32 O8	473.21698	473.21753	-0.018593172	473.21698	296119	320846	288036	297990	305120	217941	122536	230918	318629	661574	400639	147584	425556	190946	202197	251270	153570	346404	411804	713770	645697	291357	239027	299478	199379	738286	113503	358229	214843	188640	197731	220244	269332	203127	749361	206919	314748	163599	154661	432123	303574	150591	8953	1991	0	297521	211901	3203	225887	190407	309572	289465	232718	0	367509	279307	143416	262334	208631	119575	263472	263970	384028	280485	125264	325946	202187	163908	647526	1080977	945398	228801	198707	180780	132159	187365	0	171406	301581	145596	240588	187166	164557	284248	333927	180876	252583	154770	191964	194018	255718	292949	323648	199005	298010	0	302490	300964	207956	267721	278000	242379	137203	263578	178818	225258	227631	0	176551	389061	Phytochemical	0.30769232	1.2307693	0.0
26	C26 H32 O8	473.21698	473.2176	-0.048977554	473.21698	99647	90544	95027	91543	101163	60445	34902	75884	108212	160687	105764	46176	164017	73184	62287	97231	48669	110325	134121	204618	187249	89547	71755	93628	64942	225024	27348	108221	77616	68867	73214	64523	78245	57105	204192	65848	89022	48509	50131	127054	112636	57555	0	0	0	87213	72308	0	69986	68939	94919	91882	79803	0	116351	116336	59289	84816	60008	33076	96069	71051	128108	98034	43112	110431	73269	58385	233727	309697	316269	64203	52330	57239	45460	51289	0	46229	101448	37077	73219	50241	49875	84478	123643	72227	95048	53819	55884	62787	76164	84574	113927	60694	87165	0	99590	95107	78977	116682	139939	83454	43339	83919	57944	59310	82991	0	59021	124322	Phytochemical	0.30769232	1.2307693	0.0
18	C26 H32 O8	473.21698	473.2176	-0.045959238	473.21698	395912	407834	375548	340484	297575	198532	252426	344041	279909	486484	365493	250119	313887	189918	285276	414821	314829	272949	372174	567496	564634	313567	326023	382334	242505	755301	241183	332854	314064	305360	312902	337055	345949	267392	481262	311346	331226	277830	384241	388348	405741	215038	8142	538	799	282302	280151	1360	343972	316215	370045	375585	239984	1243	341315	270468	207851	386287	232987	267926	340046	255046	353189	282845	170943	296783	227308	394946	608995	810506	1006260	251294	232365	294079	327001	328680	603	232588	464638	232807	356500	222297	283889	298098	346477	222362	431627	209799	228751	434537	332618	342489	445601	212182	280742	1559	373287	344478	259241	330723	315095	349663	225545	355291	179646	291132	246002	929	315064	297937	Phytochemical	0.30769232	1.2307693	0.0
6	C20 H32 O9 N4	473.2242	473.2249	0.02408037	473.2242	10006	13330	10094	13181	547	3492	1483	1917	0	4026	13863	1237	1143	0	1378	3205	1595	1204	828	0	0	4353	2075	1933	1777	0	813	125742	1597	960	2640	2140	1928	3001	2520	2214	3203	1155	0	0	0	1010	0	0	0	0	0	0	1789	1203	10554	9462	0	0	1398	0	445	2180	0	0	2524	0	1030	0	0	1036	1741	1797	0	0	0	2128	1277	1856	0	1667	0	691	675	161170	584	0	776	0	0	0	1307	0	1366	3867	775321	291861	5477	36132	12180	0	8994	11263	604	0	0	3060	1233	0	0	2113	804	0	1681	1852	Peptide	0.45	1.6	0.2
2	C20 H32 O9 N4	473.2242	473.22516	0.099739835	473.22424	2798	2701	1761	2307	654	0	1408	2624	813	0	1082	1779	1735	943	1880	584	1780	1095	1358	0	0	649	1053	1892	904	0	0	28248	3311	991	2873	1856	5068	2681	509	1593	2440	1045	3001	0	0	0	0	0	0	442	0	0	2271	1013	2645	1703	616	0	1169	423	357	2317	340	325	713	0	1078	918	0	1586	1143	2828	0	0	0	3257	2259	1657	0	2048	0	2401	1138	61660	862	0	0	0	772	955	1734	1127	1197	3450	33919	12578	4935	7254	0	0	1714	1831	846	419	524	2297	1292	439	0	2707	574	0	429	2884	Peptide	0.45	1.6	0.2
4	C20 H32 O9 N4	473.2242	473.22513	0.11803847	473.22427	6461	6413	7605	5552	896	4231	479	1644	0	0	9683	437	656	733	1597	0	912	1327	1049	0	0	1741	1510	1035	853	0	0	127868	2001	897	650	1397	1417	1623	0	1247	1529	1088	2009	0	0	573	0	0	0	0	0	0	0	977	5373	5505	824	0	900	339	0	1871	0	0	2053	0	736	871	0	578	0	1663	0	0	0	1470	1007	660	0	589	0	813	1370	129813	654	0	0	0	385	324	1422	660	736	1343	561647	164966	2881	16328	5383	0	5081	5453	0	0	627	1184	932	0	0	1610	600	0	397	1340	Peptide	0.45	1.6	0.2
10	C20 H32 O9 N4	473.2242	473.22513	0.22864394	473.2243	2105	1888	0	1253	0	1243	0	0	0	0	1997	763	983	0	0	0	0	0	0	0	0	0	0	1908	2627	0	0	17054	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1027	0	0	1025	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1446	0	0	0	0	0	0	0	0	926	0	0	0	12596	0	0	0	0	0	0	1492	0	0	1527	166443	69088	1774	3038	2822	0	2512	1846	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45	1.6	0.2
8	C20 H32 O9 N4	473.2242	473.2249	0.08886031	473.22424	11340	12910	11212	11757	0	1601	2022	3132	0	4832	19626	860	0	0	2389	3151	1499	937	1294	1307	0	2967	1547	2239	2991	0	1287	102910	3567	1226	2286	4122	1480	1153	1949	1623	2326	1613	1231	0	0	0	0	391	659	0	0	579	3184	2334	8261	9774	684	0	1046	584	0	4274	1439	0	0	0	0	0	0	1120	686	1311	0	0	0	0	3112	1287	0	1676	0	1132	1906	66687	906	0	889	0	0	0	1823	979	1370	4515	1047579	391925	5089	20120	10017	0	14085	8451	0	0	0	0	1090	0	0	2167	0	376	2067	0	Peptide	0.45	1.6	0.2
14	C25 H32 O7 N2	473.22824	473.22888	-0.007180269	473.2282	10585	10291	10162	11907	5137	7569	6445	13629	3172	15637	11413	6821	2354	3979	9801	11685	11483	1866	3980	22652	24820	10862	8213	24494	11761	15645	7900	7322	15057	15296	13295	9780	22536	12232	25383	12890	12390	8107	15514	21636	12252	5575	0	0	0	12583	8252	0	14974	11598	8240	11347	6204	0	2808	1701	3740	16666	0	8150	0	11133	4104	4958	3363	3712	5329	16147	0	21976	14350	8252	14349	14078	11113	10792	0	8068	9045	0	6812	3643	4427	10913	1110	2478	13042	6514	5591	25479	17294	14134	26291	12547	21805	0	11892	10676	2772	2486	2779	17053	9737	13177	0	15425	1668	0	10131	2689	Phytochemical	0.28	1.28	0.08
12	C25 H32 O7 N2	473.22824	473.2289	0.054740798	473.22824	7329	11585	9649	8193	4145	3946	6339	16890	3493	19356	7743	5043	1375	2078	7315	8503	10166	0	5733	30600	29106	11226	8567	11773	9198	14853	3426	12127	15156	6093	11750	9534	14956	8782	28465	9896	12832	7670	11232	18826	11068	4156	0	0	0	11908	9456	696	10853	7673	7948	5257	6641	0	2594	2170	3006	12396	0	0	0	12155	3561	3001	2597	4120	8185	9838	0	27089	17555	9657	9129	9948	8170	10560	0	5953	8223	0	8348	2605	4713	12626	2340	1400	11229	5520	6273	16652	12761	12989	24404	11462	18799	0	9689	8979	1837	2267	3837	11740	5816	10616	0	15689	3236	0	8284	5828	Phytochemical	0.28	1.28	0.08
24	C30 H32 O5	473.23224	473.23282	0.009698214	473.23227	5547	5880	6085	4886	3664	2844	3569	4741	4273	2407	8089	4327	3216	3140	5173	5923	6149	3344	4511	3504	3434	5016	5699	4562	6404	21384	4551	4736	4755	6600	2934	4300	5434	3137	2252	3273	6142	2518	6636	6061	10500	4494	0	0	0	3131	4959	0	6120	6947	5403	6909	5186	0	2039	3920	4382	5376	5275	5266	4416	5078	1497	1508	3601	5797	4494	9097	20125	11561	19756	4111	2844	4294	4314	5324	0	3556	12013	3987	6389	3579	3010	5525	5966	0	15419	4459	3700	12224	3082	4236	8224	4769	3057	0	4644	6332	4472	6219	5749	7470	2582	6324	1956	5412	3446	0	11650	2023	Phytochemical	0.16666667	1.0666667	0.0
12	C27 H36 O7	473.2534	473.25372	-0.049078427	473.25336	0	1702	3756	0	0	0	4553	2536	1621	0	2578	1741	0	0	0	6121	0	0	1513	1843	0	0	1504	0	0	1507	5661	0	0	1115	1695	3887	2991	0	0	3565	0	1968	4714	0	0	0	319	0	0	0	0	0	2907	0	2513	2041	0	0	1185	0	1135	0	6013	0	21433	2347	0	0	0	0	0	0	37158	0	0	1120	0	4188	3538	3548	0	1847	3304	0	1725	2016	1329	0	2141	1295	3803	0	0	5742	2741	0	0	0	0	0	5133	2856	0	1058	2447	2245	1826	0	0	0	0	0	2402	0	Lipid	0.25925925	1.3333334	0.0
14	C27 H36 O7	473.2534	473.25403	-0.04306828	473.25336	7734	9941	9997	9649	3101	2534	15717	12144	9306	0	3291	7170	2728	3630	9738	15151	25379	3549	5098	5447	6133	0	6141	8492	8632	4738	14023	0	10141	14018	11449	7679	10893	5901	3367	10729	4022	8372	28294	0	3364	4760	0	0	0	2579	5964	0	10086	12448	13779	7205	5944	0	5448	3301	5387	12926	7003	9693	0	1424	0	7745	4665	4208	5897	29675	0	5438	7664	3097	7307	12309	20141	10542	0	7616	16480	0	15210	4142	10870	3253	12322	6873	19757	2751	5865	31070	7022	6598	10120	6298	6027	0	9119	7785	5804	13647	15297	9203	6149	8991	0	8784	9825	0	14839	2891	Lipid	0.25925925	1.3333334	0.0
26	C27 H36 O7	473.2534	473.25397	-0.024995217	473.25336	253529	263677	252480	259661	298662	159879	129273	273764	299306	340076	317376	144714	299737	171499	200057	280085	182510	282358	392433	540840	464653	249341	197328	262557	217401	670685	132796	362303	259430	278793	235466	236663	302784	188546	494978	268923	320734	167065	169802	328101	256814	164553	4640	0	0	226011	181364	0	281616	238740	265969	249632	228438	0	361778	294098	152782	277008	208030	127537	274876	201605	292046	254674	113770	261132	197273	200867	577984	797901	685784	203296	193624	226312	177961	229266	0	168823	273454	178852	189718	148542	179963	233902	324233	187728	277961	141841	186890	175739	242249	269517	308297	182905	244660	0	258998	292051	186658	337554	324638	315002	146053	352694	176783	207351	248107	0	187022	283678	Lipid	0.25925925	1.3333334	0.0
12	C20 H40 O12	473.25925	473.25992	-0.05984208	473.25922	85148	89933	96720	85776	6778	7402	31284	3564	1968	76025	340088	10366	1786	16302	1743	12048	2200	2051	1774	30931	5276	54882	3351	20143	1671	0	180431	153135	0	6799	3391	6646	3930	6177	5096	5396	4844	0	4467	116954	202874	8200	23520	1411	911	103762	142049	2944	10285	14305	60633	94954	2723	1687	0	906	3723	41039	206981	67203	435118	84031	27444	1696	3087	13190	18938	8506	76043	34625	27676	12488	6315	3089	5446	11266	2447	2637	0	138682	1623	4507	2972	2761	1552	2145	0	26305	6073	19218	162704	38875	12114	38974	47003	3466	77872	50016	2622	0	1253	7395	3799	115126	1417508	5998	0	3807	2984	7869	Lipid	0.6	2.0	0.0
14	C20 H40 O12	473.25925	473.2603	-0.27232695	473.25912	1987	0	0	0	0	0	0	3655	0	0	2732	0	0	0	1694	0	0	0	0	1739	0	0	1236	0	1341	0	1819	0	3322	2725	0	0	0	1313	0	3282	0	1143	0	0	0	1178	0	559	214	1457	3984	0	2370	3123	0	2018	0	1147	0	0	844	0	0	0	0	1703	0	0	0	0	1066	1296	0	0	0	2090	0	2039	1775	1104	388	1449	1997	0	1257	0	0	0	1199	0	0	0	0	0	3372	0	2122	0	0	0	0	0	0	0	0	2346	0	3567	32770	0	0	452	1928	0	Lipid	0.6	2.0	0.0
8	C21 H36 O8 N4	473.2606	473.261	0.09983376	473.26065	2606	3602	2815	3032	2587	4318	0	0	3244	0	0	0	0	3854	0	0	0	0	0	0	0	0	0	0	0	0	0	19396	778	0	0	0	0	0	0	0	911	0	0	0	0	2139	0	0	0	0	0	0	0	0	3945	2674	1659	0	0	529	2728	1487	0	0	0	0	0	678	1914	0	2602	0	0	0	0	1538	0	0	0	0	0	0	0	50860	0	0	0	0	0	0	976	0	0	0	462771	253789	1776	9418	0	0	4565	2735	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3809524	1.7142857	0.1904762
4	C21 H36 O8 N4	473.2606	473.2615	0.09045287	473.26062	518	1017	0	0	0	714	0	0	0	0	0	0	266	0	301	379	0	0	303	0	0	0	0	0	389	0	0	3986	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	883	550	0	0	0	0	0	0	0	0	0	0	251	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32897	0	0	0	0	0	440	0	0	0	0	60205	18996	829	1166	0	0	559	0	0	0	0	0	0	0	0	0	0	0	0	273	Peptide	0.3809524	1.7142857	0.1904762
6	C21 H36 O8 N4	473.2606	473.26126	0.077541456	473.26062	9214	11000	8640	8728	0	38954	1045	0	0	0	0	0	0	0	0	0	0	1332	0	0	0	2158	0	0	1308	0	0	60412	1686	0	0	0	0	1696	0	0	1550	0	0	0	0	0	0	0	0	0	0	0	0	0	8916	10686	0	0	0	0	0	0	0	0	2484	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	175786	0	0	0	0	0	0	1582	0	1190	0	945380	469044	0	23820	2666	0	11628	7842	0	0	0	2208	0	0	0	0	0	0	0	0	Peptide	0.3809524	1.7142857	0.1904762
10	C21 H36 O8 N4	473.2606	473.2606	0.102270775	473.26065	2426	1277	1812	1532	0	0	0	0	0	0	0	0	0	1301	0	0	0	0	0	0	0	0	0	0	0	0	1612	11841	0	0	0	0	0	0	0	0	0	0	0	0	0	1099	0	0	0	0	0	0	0	0	1378	1206	0	0	0	0	0	1636	0	0	0	0	0	0	1220	0	1144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1043	0	0	0	0	0	0	0	0	196528	104825	0	3440	0	0	2076	1566	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3809524	1.7142857	0.1904762
24	C26 H36 O6 N2	473.26462	473.26505	-0.16549632	473.26453	1571	0	2073	3747	0	986	0	2908	0	0	0	0	0	850	1420	3844	3923	0	1440	2580	0	7217	3758	4458	4586	1442	2255	1336	1838	3775	2361	2933	3167	3613	0	4642	3638	1723	2747	1064	1987	0	0	0	0	1859	0	0	3608	2533	4262	1160	2624	0	0	1405	0	4689	2187	1922	4764	1094	1503	1246	0	2294	1033	4197	0	0	0	2118	2296	2084	1477	2807	0	1652	3378	0	3514	1240	1533	1954	0	0	5258	1645	2768	10382	5398	7082	31941	1833	0	0	2060	2905	0	0	0	2091	2389	2856	0	5630	0	0	5546	1403	Lipid	0.23076923	1.3846154	0.07692308
2	C28 H40 O4 S1	473.272	473.27258	-0.377665	473.27182	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	507	0	0	0	0	0	0	0	0	0	0	0	22880	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	482	0	0	0	0	0	0	0	0	0	0	0	0	1576	0	0	0	0	0	0	0	0	0	0	0	0	0	20728	0	0	0	0	0	0	0	0	0	0	2201	890	0	1007	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14285715	1.4285715	0.0
6	C28 H40 O4 S1	473.272	473.27216	-0.20177859	473.2719	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12430	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	681	0	0	0	0	0	0	0	0	0	0	0	0	0	421	0	0	0	0	0	0	0	0	0	0	0	0	0	0	86754	0	0	0	0	0	0	0	0	0	0	20275	3883	0	2691	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14285715	1.4285715	0.0
8	C28 H40 O4 S1	473.272	473.27264	-0.07074613	473.27197	0	0	940	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4835	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	290222	0	0	0	0	0	0	0	0	0	0	23117	0	0	10318	1369	0	0	1356	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14285715	1.4285715	0.0
12	C23 H40 O8 N2	473.28574	473.28622	0.12379698	473.2858	0	0	0	0	0	0	7003	0	0	0	4189	0	0	0	0	0	0	0	0	0	0	0	0	0	0	979	20266	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	296	0	0	0	10334	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9710	0	0	0	23405	0	2845	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9345	3527	0	0	2937	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3478261	1.7391304	0.08695652
18	C28 H40 O6	473.28976	473.2904	-0.047291107	473.28973	12433	13264	11272	15595	12938	4057	13521	9699	7263	0	3305	7646	4249	10027	5619	11937	27723	5977	6962	3171	0	0	6439	6437	8836	2653	15904	6038	9324	12736	7688	11477	10941	0	0	10988	9503	9206	39892	0	6316	4608	1912	0	0	1397	2835	0	11955	9487	10886	12969	11229	0	16018	14313	9839	14727	5148	9012	10608	1381	5401	6971	9654	5484	6350	36406	2499	3013	5243	5366	5115	15081	28135	15931	0	6154	21322	6737	13846	5851	8407	3756	25344	14473	21799	4852	3491	32335	8674	7864	12404	2722	2385	0	9853	8604	12295	29828	34302	12525	7492	7856	2980	9707	22453	0	16588	2731	Lipid	0.21428572	1.4285715	0.0
14	C21 H44 O11	473.29562	473.2965	0.18298107	473.29572	157008	176109	183776	156803	4398	1773	0	2371	0	1259819	1976364	0	0	0	0	0	0	1589	0	1715	0	6934	0	0	0	0	1781	52791	0	19982	1272	0	1883	0	41018	0	2379	0	1488	260998	116245	0	0	0	0	170467	201371	0	1937	0	171608	159018	3129	1871	3623	0	1075	0	5415145	44554	0	769658	0	0	0	3433	0	2411	0	3128	3905	22741	1309	1877	2923	0	280	0	0	214458	0	0	0	20599	0	0	0	3935	0	0	1023969	439738	3275	281754	17532	0	190822	83695	0	0	0	0	0	291195	12766941	3841	0	0	0	0	Lipid	0.52380955	2.0952382	0.0
8	C22 H40 O7 N4	473.29697	473.29742	-0.07686748	473.29694	4671	7320	6041	5041	0	12916	0	0	0	0	2323	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	74334	0	0	0	0	0	0	0	0	980	0	0	0	0	1214	0	0	0	0	0	0	0	0	6577	6775	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	524667	0	0	0	0	0	0	0	0	0	0	544570	239695	0	37498	3184	0	4167	5845	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.8181819	0.18181819
12	C22 H40 O7 N4	473.29697	473.2976	-0.035630886	473.29697	11735	9702	12335	13206	0	11917	0	0	0	0	4706	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	258827	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9657	14356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	487502	0	0	0	0	0	0	0	0	0	0	1318804	876181	0	40194	1213	0	12846	7600	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.8181819	0.18181819
10	C22 H40 O7 N4	473.29697	473.29758	-0.012500736	473.29697	17211	18645	20602	16025	0	11536	0	0	0	0	9068	0	0	0	0	0	0	0	0	0	0	1381	0	0	0	0	0	180006	1756	0	0	0	1747	0	0	0	1447	0	0	0	0	2037	0	0	0	0	0	0	0	0	21952	17424	867	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	646989	0	0	0	0	0	0	0	0	0	0	2038956	941402	0	59519	6183	0	18926	14759	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.8181819	0.18181819
20	C27 H40 O5 N2	473.301	473.3018	0.41255414	473.3012	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1149	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3364	3768	864	0	0	2439	0	0	0	0	0	940	0	0	0	0	7524	2156	1629	1333	0	0	0	0	0	0	0	0	0	0	0	0	0	0	414	0	0	0	0	1560	0	0	0	0	0	0	0	1896	0	0	0	0	0	3611	0	0	0	0	0	0	0	7910	21386	0	0	3503	0	0	Lipid	0.18518518	1.4814814	0.074074075
20	C32 H40 O3	473.30502	473.30582	0.43973562	473.30524	0	0	0	0	0	0	0	0	1845	0	0	0	0	0	0	0	1694	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1683	0	0	0	0	0	522	0	0	0	0	0	0	0	0	0	2238	0	1310	0	18744	4448	0	0	0	0	1356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7546	0	0	0	0	0	0	0	0	0	0	626	0	0	0	3110	1724	0	0	19935	20215	0	2832	1012	0	0	Phytochemical	0.09375	1.25	0.0
20	C28 H44 O2 N2 S1	473.31964	473.32004	-0.2777727	473.3195	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1276	0	0	0	0	0	0	0	0	0	0	0	0	0	234	0	0	0	0	18563	3445	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20642	12403	0	0	0	0	0	Organosulfur	0.071428575	1.5714285	0.071428575
22	C29 H44 O5	473.32614	473.32666	-0.16533712	473.32608	16269	19031	19123	16178	12139	8249	36409	20739	8851	0	3163	19363	3013	18234	21770	44130	102788	5641	11124	0	0	3898	13084	11129	29379	2119	38057	4417	27524	34942	24880	30481	22518	15773	0	39915	19423	23685	92893	0	3177	11054	0	0	0	0	3170	0	29750	29843	16438	17547	12886	0	12376	16879	12672	30526	4510	12943	28684	0	4672	6348	21031	5224	14189	109392	0	0	1932	5873	15002	36842	67820	29323	0	13212	32052	9942	19168	3521	9761	0	27145	27665	51510	13658	13564	97170	13310	14485	14550	2673	0	0	14535	21460	17335	28377	26971	39612	19181	10642	1512	17434	25457	0	27295	5008	Lipid	0.1724138	1.5172414	0.0
20	C29 H44 O5	473.32614	473.32663	-4.03595E-4	473.32614	5174	0	3547	3421	0	0	7909	2533	1798	0	0	2462	0	1696	2673	4216	23364	0	0	0	0	0	0	0	2554	0	6535	0	3862	7085	3868	3863	2475	2892	0	6745	2109	2174	24379	0	0	0	0	0	0	0	0	0	3371	1459	1603	0	1289	0	0	2922	1747	3361	0	0	2965	0	0	1542	1609	0	1995	25981	0	0	0	1442	0	3456	16454	2982	0	2288	4424	2218	2773	0	0	0	2594	4164	7525	1977	0	25659	0	0	0	0	0	0	3885	0	2707	4061	5524	4406	3609	1845	0	2328	1837	0	6639	0	Lipid	0.1724138	1.5172414	0.0
28	C30 H48 O2 S1	473.3448	473.34512	0.08718468	473.34482	2352	1811	2374	2552	1795	3253	1355	7053	1605	3524	2982	1922	0	3183	0	7666	0	0	0	4167	0	0	0	0	0	3263	3599	2589	0	0	2859	5195	1547	2302	1701	2232	1691	2616	1808	4073	1437	0	2808	3810	0	0	0	2056	8929	2945	3362	1753	2321	0	0	0	1741	8160	19181	2080	3516	10043	1132	1780	2635	1586	3999	1659	0	7378	1522	7687	2004	0	7935	2397	0	2401	1843	0	1174	1356	1720	972	0	0	789	1546	1244	1552	28461	7913	0	1861	0	2157	2361	0	1500	1557	0	0	1258	2567	4575	0	5859	3815	2038	0	Organosulfur	0.06666667	1.6	0.0
28	C30 H48 O4	473.36255	473.363	-0.16532661	473.36246	5760	5182	3878	6927	3342	3458	34049	14527	1677	0	5373	6558	0	2636	9877	10409	24716	0	2104	0	0	1317	5386	3591	23064	2929	28803	2826	11772	23439	9368	9641	7749	4225	0	23715	6323	14245	21503	0	1196	4427	0	0	0	0	0	0	6722	18297	4995	5331	1470	0	1826	5813	3979	11181	1624	2550	8724	0	0	1358	4881	1144	6082	29996	3130	0	0	3609	5521	32564	9395	12948	0	6043	25015	7425	7480	2673	3720	1226	10670	9793	56983	2238	2688	33551	3666	2553	4774	3234	0	0	6164	6961	3459	7180	13611	14815	8682	3722	2617	7684	9464	0	17404	0	Lipid	0.13333334	1.6	0.0
24	C30 H48 O4	473.36255	473.36288	-0.170989	473.36246	2186	3394	2978	5233	0	2229	14688	7250	1510	0	0	9264	0	1885	9112	14322	60843	0	0	0	0	0	2038	986	10245	0	15480	0	5620	18282	5949	5901	5705	2147	0	9927	4062	12971	59510	0	0	3865	0	0	0	0	0	0	3734	18462	4718	4636	1298	0	0	1060	3934	7343	0	0	4195	0	0	0	4603	0	1657	63970	0	0	0	1323	3397	17476	18854	10611	0	4546	14837	3660	6660	0	848	0	2133	5533	20630	1705	1501	49874	1587	1446	6753	0	0	0	3868	3698	1357	1555	0	13737	6428	0	0	4695	3296	0	13259	0	Lipid	0.13333334	1.6	0.0
18	C21 H15 O12 N1	474.0667	474.06747	0.08755289	474.06674	5089	5211	3287	3183	10494	4547	0	0	6239	5382	3097	0	24828	3303	1340	0	2185	12301	13853	6245	7770	28780	2519	0	0	0	0	0	0	0	0	0	0	0	8220	0	2572	2210	2477	5208	8945	2282	0	0	0	5752	12297	0	0	0	3732	3337	5211	0	12010	14808	4923	0	0	2441	0	5448	32106	13839	2559	10681	5127	0	1182	0	2286	0	0	0	1846	0	0	1695	1994	11351	3786	7276	0	0	10755	3553	5364	4267	5029	2862	0	0	0	31946	16384	0	1661	2151	11063	13894	15417	2102	0	0	7410	1954	8031	0	0	23870	Phytochemical	0.5714286	0.71428573	0.04761905
20	C21 H15 O12 N1	474.0667	474.0674	0.07666208	474.06674	3987	4673	4339	5756	13811	4769	0	0	15199	5352	1506	2278	22616	3904	2267	1865	0	16181	11312	3117	7679	18015	3031	0	0	0	0	0	0	0	0	0	0	0	9952	0	2574	2275	2182	4078	8304	4368	0	0	0	8297	15802	833	0	0	2762	4439	6417	0	10786	12150	5042	0	0	964	2454	2551	20963	18908	3983	10228	4444	1258	0	0	0	0	0	0	0	0	0	1978	5798	16825	0	6548	0	0	16348	5112	4735	4837	5097	5682	0	0	3352	25666	16681	0	6745	6339	8376	14095	15282	2779	1574	0	9046	2856	7790	0	1485	23607	Phytochemical	0.5714286	0.71428573	0.04761905
22	C21 H15 O12 N1	474.0667	474.06732	-0.05631974	474.06668	5196	2140	2659	4735	8809	7162	1191	0	9831	5467	1609	2136	22217	0	2952	1992	0	12901	7983	3227	6957	14419	3220	1716	0	0	0	0	0	0	0	0	1930	0	5646	0	2770	2082	0	1364	5096	2867	0	0	0	5205	16082	0	0	0	4308	3470	5561	0	12236	10274	3910	0	1861	0	1880	2384	15310	13476	2866	12287	3296	1380	0	1761	0	0	0	0	0	0	0	970	5589	9659	6456	3236	0	0	16819	6406	2461	4432	5210	2022	0	0	4313	17088	15799	0	3883	2420	6144	9998	11485	3578	2520	0	8381	0	9117	0	2255	20965	Phytochemical	0.5714286	0.71428573	0.04761905
28	C21 H15 O12 N1	474.0667	474.06726	-0.061540868	474.06668	4879	5094	5171	4852	10871	5449	1019	0	11819	5822	1304	2275	20305	2082	2419	2118	0	13494	14762	0	5994	15434	3346	2161	0	0	938	0	0	0	0	0	2373	0	9802	0	1807	2198	953	2870	6522	0	0	0	0	5199	10071	0	0	0	6568	4814	6656	0	16820	8834	2927	1675	1134	1017	1829	3175	18007	13449	2985	11523	3805	981	0	0	1006	0	0	0	0	0	0	0	5047	8681	4992	3516	977	0	11162	3500	4896	3745	3801	2275	1620	1400	3783	16401	15726	0	5554	4801	4414	7893	10632	2343	0	0	4428	2527	5346	0	1381	16354	Phytochemical	0.5714286	0.71428573	0.04761905
16	C21 H15 O12 N1	474.0667	474.06744	0.056940153	474.06674	2727	5720	2308	4741	5630	1599	0	0	8097	5952	3846	0	17385	1251	0	0	0	8476	10171	3916	8592	20013	3768	0	0	0	1023	0	0	0	0	0	0	0	7571	0	0	0	0	2347	10290	2861	0	0	0	1759	13017	0	0	0	2576	2975	2869	0	6077	8556	2383	0	0	0	0	5737	28948	11386	1904	11868	0	0	0	0	0	0	0	0	0	0	388	0	0	9598	3246	9125	0	1993	10011	1098	1890	1886	3354	0	0	0	0	17657	13373	0	3515	1913	7949	10206	8967	0	0	0	6545	0	4231	0	0	14768	Phytochemical	0.5714286	0.71428573	0.04761905
18	C18 H19 O14 N1	474.08783	474.08868	0.18417062	474.08792	7707	1869	0	2386	12320	6285	0	2054	6920	3630	4017	2010	21110	3378	1479	0	0	14704	11213	2508	7928	8650	0	0	0	2739	0	0	0	0	0	0	0	0	4179	0	0	0	0	5356	9389	2796	647	0	0	6395	7176	0	0	0	5047	1796	7082	0	11543	18441	3014	0	1317	1164	0	7008	11812	10974	4013	9599	5153	0	4521	2893	3544	0	0	0	0	0	296	1978	1666	13303	0	6364	0	3864	11602	1825	0	2560	3394	0	0	2935	0	10786	10728	0	4548	2584	11492	6307	7623	0	1540	0	7571	0	13354	0	0	21051	Phytochemical	0.7777778	1.0555556	0.055555556
14	C18 H19 O14 N1	474.08783	474.08868	0.1298634	474.0879	1890	3964	4758	2198	16712	5297	0	0	24380	1793	0	1490	30554	3496	1273	2434	1954	15131	17452	2075	4806	0	6093	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3881	6800	0	0	0	0	7823	0	0	0	0	2885	9527	0	15276	28244	2787	0	0	0	0	0	29681	20935	5849	10515	6712	1205	0	0	0	0	0	0	0	0	0	1274	2949	0	1277	3230	0	0	22520	4469	1242	4699	2594	0	0	0	0	8064	0	0	3478	4129	21046	16392	23089	2088	1815	0	0	1421	17078	0	0	25640	Phytochemical	0.7777778	1.0555556	0.055555556
12	C18 H19 O14 N1	474.08783	474.08868	0.22550651	474.08795	0	0	0	4685	12902	2595	0	0	12711	0	0	1299	24717	1585	974	0	2591	12108	10049	0	2295	4089	2693	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1032	0	0	0	5212	0	0	0	0	5893	0	0	0	0	0	4688	0	10549	20893	3639	0	0	0	0	0	24539	14699	2993	11038	2213	0	0	0	0	0	0	0	0	0	0	0	0	0	1211	1681	0	0	18177	2586	0	3903	3071	0	0	0	0	4601	0	0	0	4626	18833	15032	13834	0	1861	0	0	0	13165	0	0	21528	Phytochemical	0.7777778	1.0555556	0.055555556
28	C22 H19 O11 N1	474.1031	474.10364	-0.02529473	474.1031	4581	4744	5521	5491	6743	3606	982	0	6042	17686	4733	1242	13346	3111	2642	0	0	14922	8853	7520	13652	19579	2677	1949	0	0	944	1579	0	0	0	0	2292	0	18648	0	2589	1473	0	7906	7257	2229	0	0	0	7958	12144	0	1298	0	5537	3783	6290	0	11304	6243	3070	2475	0	0	0	3522	11803	6216	2428	7095	2521	0	3800	4989	7486	0	0	0	0	0	0	1034	4021	11729	2880	6671	1550	2492	7271	4848	3258	2284	2844	1250	2365	2461	3846	16891	28077	0	4210	6041	4566	5125	4663	0	0	2357	8184	1536	4595	0	0	13010	Phytochemical	0.5	0.8636364	0.045454547
20	C22 H19 O11 N1	474.1031	474.10367	0.01248517	474.1031	22718	28027	18908	20338	26914	18829	1665	4522	33122	77256	21623	4432	48093	9695	6309	5192	2393	39546	33258	47150	67279	76456	9002	4817	5228	13048	4039	11672	4709	0	5317	2623	9004	2428	84012	4755	5162	4975	3524	43561	32028	11435	959	0	0	55861	68359	776	2679	2962	20955	20717	16507	0	41915	26457	11255	8528	2916	2375	6818	29436	52676	27149	7918	30911	14528	1696	15221	23520	20478	2021	0	0	2752	1996	395	3856	14588	50065	11012	38508	3486	24134	27451	20882	13779	9460	9703	7569	8736	17670	15058	80834	73363	0	19395	17784	25736	26040	31458	5635	3224	7799	42806	5968	26767	0	5227	53954	Phytochemical	0.5	0.8636364	0.045454547
10	C22 H19 O11 N1	474.1031	474.10385	0.03744912	474.10312	15812	6260	9484	11934	12448	4468	2004	0	22802	54580	30634	1962	37606	23924	3430	3772	2022	13878	14130	27046	44364	39332	3142	0	0	7646	0	7034	0	0	0	0	8660	0	72316	0	3334	2072	0	17546	43730	2328	0	0	0	13390	37988	0	3078	0	9184	9812	5994	0	21326	18962	5314	4168	0	0	0	16384	53610	27658	5230	18452	5250	2470	31472	12826	28046	0	2236	0	1303	0	0	1384	10846	15794	4246	21396	2646	4702	31260	4570	5124	4488	2540	0	0	8686	6390	42386	39204	0	5774	14510	14694	32810	22916	0	1964	0	0	0	14706	0	0	35528	Phytochemical	0.5	0.8636364	0.045454547
22	C22 H19 O11 N1	474.1031	474.10367	-0.018430373	474.1031	12028	10528	11213	9816	16687	10099	0	1709	17723	39573	15108	2201	24671	5880	1859	2586	1845	21185	18195	23038	29064	51942	6010	5086	3949	9011	1109	2944	1641	0	1851	0	3081	0	42473	0	2934	2213	1999	15938	17821	4463	0	0	0	29860	48231	0	1570	0	9265	10093	8754	453	21143	19258	4959	2046	2309	1567	2473	21115	35138	23245	6624	19929	6582	1345	6809	7607	11142	2098	0	0	0	1499	290	0	8131	33874	7336	22125	0	8226	21774	10122	6661	6901	5442	2543	5218	10233	5909	48146	65163	0	10520	13729	13296	20428	13760	3407	1429	1698	22294	4707	11480	0	3693	32033	Phytochemical	0.5	0.8636364	0.045454547
16	C22 H19 O11 N1	474.1031	474.10376	0.024156228	474.1031	30232	29412	32997	35362	34652	21284	3724	3285	38624	113606	50483	5072	70119	12541	8543	9181	5565	41976	40011	63741	80191	119217	15671	10912	4541	23155	6507	20688	2235	3517	5172	3370	9320	4524	138734	3403	11002	8665	6463	61552	62419	11028	709	0	0	58372	81017	0	5234	5875	33742	33779	21493	295	49354	32226	14051	9146	9631	8198	6827	43898	75257	43747	15304	47054	17796	6200	38811	35212	47575	3641	2170	1997	5331	4800	0	3699	23641	71443	16199	53218	6363	31555	37039	20307	18136	13050	14425	0	10388	23353	0	97606	113251	0	33333	28704	29384	37582	42223	11658	1459	7244	41970	22499	28885	0	7811	62658	Phytochemical	0.5	0.8636364	0.045454547
14	C22 H19 O11 N1	474.1031	474.10385	0.09567476	474.10312	18416	29209	23190	16557	24543	14196	6980	4510	28842	86465	51778	3486	48004	9902	5572	3749	6573	26205	23687	53684	76365	80520	8098	7151	3861	15166	2600	27654	2848	2329	1946	0	7648	0	133110	2033	5131	4746	5115	40307	64492	8853	0	0	0	36829	81793	0	5072	0	23732	17897	17413	0	37431	29279	10348	5374	8346	0	0	38565	68838	41103	9346	30518	9974	4321	31032	29849	40094	2104	2614	0	2874	0	0	4517	10499	46089	9020	38289	4325	19861	22990	16910	13628	7495	9344	23327	15244	11917	14123	76107	91552	0	19671	26321	28078	31118	32949	5658	4357	5429	38183	5547	22672	0	3997	46923	Phytochemical	0.5	0.8636364	0.045454547
24	C22 H19 O11 N1	474.1031	474.1036	-0.0905583	474.10306	8614	6541	6658	7319	7112	6843	1355	0	10867	25715	5644	1723	21178	2816	3525	2517	0	15695	12920	11117	14002	33798	3673	2743	1659	1424	0	3420	1795	0	0	0	2253	0	26641	1279	2927	2977	0	10577	9979	2070	0	0	0	17180	22485	0	0	0	6242	4359	6560	0	15800	9453	1840	1081	1668	2018	0	12351	20259	13238	1446	11002	1108	0	5553	4464	6825	0	0	0	0	0	0	1408	8438	16774	3748	13060	0	6224	8776	4609	5028	2852	2880	2049	1616	6510	3982	35557	45734	0	9440	5047	6065	7648	8268	2777	852	2213	12797	2382	8023	0	0	23242	Phytochemical	0.5	0.8636364	0.045454547
18	C22 H19 O11 N1	474.1031	474.10376	0.033295818	474.1031	31730	30249	31318	25869	33580	21462	8836	4384	35377	110542	40289	4020	71037	15371	6521	12176	2985	46470	55624	63784	74697	95671	14356	7348	5915	16185	5147	20151	5717	3214	2152	0	10763	0	132780	3511	13068	8635	4843	59039	55170	15451	1385	0	0	64107	80724	372	5327	1854	27941	25454	26825	0	45428	37529	16056	9741	6033	5353	7072	41854	76382	39314	13802	44091	18334	7218	31176	23157	35455	3522	1549	0	2608	0	341	3681	24291	70037	13294	48102	5236	33304	44429	19996	18940	15028	14417	13256	15264	23258	16365	94151	126350	0	29835	28165	34007	35285	32433	8810	4941	12336	47384	9091	26162	0	6641	60548	Phytochemical	0.5	0.8636364	0.045454547
26	C22 H19 O11 N1	474.1031	474.10364	-0.08032063	474.10306	7523	3769	9285	5539	8039	4895	0	0	6942	21965	2117	0	15843	1938	0	0	0	16602	11951	10018	10012	24926	0	0	0	0	0	0	0	0	0	0	0	0	25092	0	2665	0	0	6624	8668	0	0	0	0	9932	15330	0	0	0	5714	6363	5002	0	12187	8180	3503	0	0	0	0	6418	16187	11885	0	11159	2995	0	0	5728	5255	0	0	0	0	0	0	0	4906	8324	4734	7288	0	3473	8575	0	3859	0	2671	1540	2877	1711	0	24679	36120	0	5947	5787	5640	6121	0	0	0	0	13478	0	4491	0	0	16209	Phytochemical	0.5	0.8636364	0.045454547
14	C19 H23 O13 N1	474.1242	474.1249	0.029858422	474.12424	117066	119648	112860	128340	171858	134206	35136	89180	284618	97306	105822	79620	400556	88640	107054	73512	96918	321908	286410	127056	270808	207440	157030	84618	30942	16606	32652	20984	56942	68628	48410	55058	80530	42818	119112	72436	79330	68042	57742	79738	169004	150188	6122	0	0	269174	647520	1142	47776	79104	92484	125080	149630	570	377250	213088	96254	60432	80132	85288	81150	160692	346206	291312	109712	201116	125450	51988	135564	40964	67374	53836	38596	58280	85152	49512	518	78426	80632	175766	79880	220522	23480	24384	263288	116168	56198	103268	116580	65792	17966	44778	103834	178556	130126	0	116096	164564	225802	161682	194100	128270	70870	83166	576356	76822	223900	800	22164	313240	Phytochemical	0.68421054	1.2105263	0.05263158
24	C19 H23 O13 N1	474.1242	474.12485	-0.03006022	474.1242	4532	7106	5835	7936	11461	8212	1331	2704	12595	7693	4891	4056	5583	1349	3349	0	3709	9812	10843	8118	21325	4943	4128	0	0	0	0	0	2199	1783	0	0	4087	2018	6556	5010	3697	2665	3891	5550	15926	5815	0	0	0	36993	95106	0	3583	1606	6869	7054	6245	0	6980	4889	2696	1299	3751	2741	2115	13866	6067	7646	4085	4309	3452	1854	11690	2166	8940	2722	3015	2792	6132	2419	0	8188	2033	5471	2744	35081	1503	0	8818	4039	1774	2189	3927	0	0	2589	2786	6773	5258	0	5550	7095	12304	2575	0	2602	3791	2569	57213	1925	8225	0	0	10934	Phytochemical	0.68421054	1.2105263	0.05263158
10	C19 H23 O13 N1	474.1242	474.12497	0.042522375	474.12424	34891	31898	23677	26574	45058	25791	9002	24771	60485	30672	37684	25267	97964	16144	19882	27823	36521	79057	73570	39439	77521	49495	37510	28692	4170	3581	13301	5763	13824	13564	12154	14475	24344	17106	48022	18918	22306	17529	20606	24376	46548	36917	1827	0	391	47690	103457	0	11126	27668	30905	29488	29464	0	82550	69666	24007	15852	15419	26306	28857	28148	90190	67572	27823	58743	29953	30585	20966	5188	17649	16131	11973	17111	21614	13347	0	18353	24626	35528	20397	34593	5461	4623	81882	30626	19924	27755	27345	30516	0	8346	29526	56732	45248	0	31659	44839	56033	55523	70609	32192	20178	21801	72751	20543	60599	0	7526	85860	Phytochemical	0.68421054	1.2105263	0.05263158
26	C19 H23 O13 N1	474.1242	474.12482	-0.025039298	474.1242	6501	7246	5561	6192	7934	11561	0	0	11372	11871	7632	4206	8050	3596	0	0	0	18089	6544	14420	35745	4344	4932	0	0	0	0	0	0	0	0	0	2548	0	13251	0	3008	0	0	7735	13755	6688	0	0	0	36649	89024	0	2822	0	6863	5638	5808	0	7101	0	3775	2039	0	5155	0	17428	7208	6852	0	3552	0	0	12228	5087	8795	2834	2888	0	0	2459	0	3739	0	0	3090	34616	0	0	8274	0	0	3545	3561	0	0	0	4191	9308	8018	0	6910	7469	13167	0	0	0	3703	0	60609	3064	7441	0	0	15843	Phytochemical	0.68421054	1.2105263	0.05263158
28	C19 H23 O13 N1	474.1242	474.12482	-0.014994033	474.1242	7408	10623	9250	9177	10967	12878	991	4306	11392	14278	8268	3893	11648	3566	3225	2368	4419	19925	10238	20417	38597	5496	4723	4394	0	0	1163	1843	2377	3003	3497	2342	5339	2496	18756	2954	4461	4827	2676	10133	19299	4665	0	0	0	39394	86340	0	2608	4859	9242	8716	8468	0	10174	5362	2652	2005	5069	5406	0	18370	10765	8448	3445	3898	5421	1869	19581	9589	15930	3932	2596	5350	5586	2355	0	3764	1656	6623	3179	39430	1775	3576	10096	4402	1642	2453	4890	1143	0	3399	4137	8134	5831	0	9439	12630	12476	4158	3046	4058	4504	3348	56865	3298	7800	0	0	14868	Phytochemical	0.68421054	1.2105263	0.05263158
18	C23 H23 O10 N1	474.13947	474.1401	0.004774808	474.13947	65278	66145	68591	61718	53867	37651	14859	22534	63567	242114	113764	13614	88927	28472	24020	35051	12397	75839	79617	176159	173392	146316	30145	35125	24504	100278	19150	89682	19049	17891	19476	16686	33337	18289	286561	14359	27659	19996	17109	137019	100756	26837	1547	0	0	121123	111620	0	23581	16993	53947	61695	39388	0	75288	51617	27139	27277	25171	16052	29579	88870	88173	61897	23000	60132	37331	13443	97977	145744	119228	19979	11504	10158	9164	13650	0	15568	41122	88256	32162	84733	19555	82666	58642	32119	30517	29190	28774	31309	46706	59987	49635	113649	173757	0	63576	61468	49730	47547	46640	30568	19572	34223	75953	26267	41885	0	23562	93501	Phytochemical	0.4347826	1.0	0.04347826
16	C23 H23 O10 N1	474.13947	474.14014	0.016434433	474.13947	57271	57304	55962	56235	49504	40754	19098	25031	55864	250501	114948	17503	91133	27346	26035	30073	19773	75394	79701	150897	181127	129978	30377	25461	22053	103705	17578	81716	21874	19866	21482	22550	36331	19288	323769	18954	36044	21701	19228	135512	104557	21755	1465	0	0	104725	113677	0	26023	19578	52928	62814	38359	0	70507	49450	25587	35241	30765	19989	32548	88653	93350	58826	18735	65409	31358	24065	118703	156426	134947	23663	20165	14941	18244	17785	0	14018	41870	103161	28674	82911	24223	81393	57495	30796	39467	33019	26047	49357	47175	61476	56716	113796	169380	0	66188	53853	41750	43167	35146	28119	13317	38161	78488	37152	40063	0	28294	90984	Phytochemical	0.4347826	1.0	0.04347826
12	C23 H23 O10 N1	474.13947	474.1402	0.027702365	474.1395	32412	26554	33429	27783	23870	18395	13082	14387	33334	110155	66305	7711	34073	13451	10673	6668	10477	29311	37943	85564	105772	80907	15408	14134	11006	48556	6615	29080	8588	11860	11486	9844	16866	8042	171335	10917	15361	13887	11698	65292	68728	10831	434	0	0	51894	86815	0	11861	10040	34342	31135	14092	0	38769	28932	10066	20347	13952	15231	0	48238	50146	29517	10742	31313	14410	22467	62947	88254	101496	9383	10291	8979	7558	12351	0	8681	23089	45498	16705	44737	12844	34114	31168	13601	22397	12513	15194	41491	20958	21838	26219	68027	62826	0	29441	34780	24997	30881	27779	15934	7128	15606	37108	16969	22586	0	14161	45094	Phytochemical	0.4347826	1.0	0.04347826
20	C23 H23 O10 N1	474.13947	474.14008	-0.047798958	474.13943	43996	40579	50562	35354	44871	37760	9225	9725	44206	185926	87537	9956	75221	27882	13291	17886	8741	53364	61499	108232	136406	102974	18288	18649	15004	80899	12676	57604	11204	10237	9348	12254	21649	9753	193186	9791	23630	14927	13021	99110	64349	13336	1799	0	306	91090	97564	0	12016	7845	45924	37476	34847	0	55139	45911	19400	12494	21302	8280	25335	57692	77494	42784	18236	57053	24789	9207	71263	90167	85252	11505	8950	6467	10283	8911	395	10043	22991	68616	22388	61419	15240	68976	45302	30922	23129	19822	19767	17176	27129	40617	34399	92321	121213	0	44041	43978	37391	42525	36958	19804	8136	21572	73722	16379	35067	0	10359	78015	Phytochemical	0.4347826	1.0	0.04347826
10	C23 H23 O10 N1	474.13947	474.14023	0.05523958	474.1395	21328	16828	15142	13574	15770	9295	5372	7071	20821	79724	39419	4362	33883	9722	5982	8935	6609	17577	16433	48690	60028	46623	9824	7726	4606	25408	6694	24766	4017	3808	5454	7398	11604	5670	104215	4831	8279	7579	8872	36554	46049	7725	0	0	0	29986	43756	0	7118	7347	17791	19458	11700	0	22679	15198	6611	10644	6307	8826	0	26710	29101	18227	6404	19177	6994	9246	39982	45652	64240	3859	6013	3860	5389	5816	0	5604	14294	21115	10879	23021	5715	21575	13265	7190	10728	8095	6638	15199	10780	14751	13503	41285	45611	0	14493	16853	22091	17698	16102	8310	6573	7443	18458	5392	11161	0	5504	25386	Phytochemical	0.4347826	1.0	0.04347826
26	C23 H23 O10 N1	474.13947	474.13998	-0.026377656	474.13947	3894	3240	3818	4997	2123	3960	0	0	7114	20805	6177	0	8659	2601	0	0	0	9316	7798	8601	14553	15255	0	0	0	7450	0	3387	0	0	0	0	0	0	24096	0	2557	0	0	7436	5881	0	0	0	0	10205	16378	0	0	0	4561	3254	4481	0	11694	0	0	0	0	0	0	7724	10584	7145	3189	7466	0	0	11321	13026	12626	0	0	0	0	0	0	0	3390	7297	3287	7389	0	5592	7742	0	3737	2648	2927	0	1909	2532	0	14859	21901	0	5592	0	4494	3940	0	0	0	0	0	1593	0	0	0	13944	Phytochemical	0.4347826	1.0	0.04347826
22	C23 H23 O10 N1	474.13947	474.14005	-0.080841415	474.13943	22388	19543	20562	26557	27016	17653	4452	3635	32849	86343	40699	4255	31183	11909	8779	7027	3708	35511	32592	54924	61863	59235	9404	14031	9833	29563	4715	16185	7163	4076	4256	4802	7830	5035	92595	4619	7600	7906	3311	46602	32134	8286	0	0	296	58620	49926	0	5820	4861	24265	24445	16029	0	28631	24440	9707	6742	9731	5468	6949	38766	43700	30514	6040	25614	15347	3615	29543	52371	44613	4567	3658	2292	2549	3569	327	5470	14081	34381	11018	39961	7098	26369	27190	16171	9559	12875	12605	7277	8496	15713	14590	46960	64923	0	21774	24953	19026	22379	18876	6104	5364	9157	33287	9300	21038	0	6078	43095	Phytochemical	0.4347826	1.0	0.04347826
8	C23 H23 O10 N1	474.13947	474.14026	0.028409472	474.1395	10950	9612	8771	11888	9735	4615	2640	3819	10193	34169	24947	2477	17041	3986	3816	6209	2598	7663	9773	24535	31205	26046	4392	5837	3109	13390	3143	8074	1700	1967	3338	4735	4846	2164	52236	2656	4954	2900	3287	14321	24490	3991	0	0	0	13147	26726	0	5026	3310	9395	8221	6017	0	10298	8930	3173	4329	3587	4270	0	13960	15212	10206	3694	10920	4124	2695	17028	17599	35881	2830	2275	1366	2676	2623	0	2253	6210	12021	5054	13351	3667	10215	7399	0	8565	2631	3130	5690	0	0	7581	27711	23627	0	10182	8554	10372	11823	8636	2914	2557	5503	9827	4349	7665	0	3767	12722	Phytochemical	0.4347826	1.0	0.04347826
24	C23 H23 O10 N1	474.13947	474.14	0.029090494	474.1395	9788	10442	7883	10618	8859	8532	2072	2262	13949	49424	15080	1524	17459	3503	2291	2957	0	15046	9767	20558	26068	26061	6127	4488	2558	16510	1106	8435	0	1157	1268	1444	3703	2568	36535	1617	4141	2905	2600	17741	12473	3205	0	0	0	22124	29338	0	2723	2985	10217	7233	8169	0	11118	11192	3209	4557	4649	1651	3407	14898	15434	11966	2578	11975	6190	0	17379	22557	24262	2664	1276	0	2125	1375	0	1784	6570	16534	7634	15559	1575	8585	11459	6052	6097	3142	4537	2169	3350	7937	7133	26732	35786	0	10639	9789	5801	8638	6183	3963	2144	2607	14075	5878	7207	0	3093	20419	Phytochemical	0.4347826	1.0	0.04347826
6	C22 H23 O9 N3	474.1507	474.15152	-0.03125282	474.1507	10026	10956	11699	10706	7950	6251	4868	7217	9288	20185	8027	6173	12526	2525	5903	9341	8933	8690	11878	12723	22987	21140	9246	13311	3824	3374	5433	5312	7228	7388	8791	10014	9694	6877	19848	6216	8894	7085	14069	14726	25215	6334	0	0	0	15083	21765	0	10282	7713	11006	9458	6907	0	9392	8286	4111	9553	6555	10864	6818	11253	15595	10305	4448	8242	7361	15403	7052	9728	13857	10657	6826	5181	8654	7551	0	6090	10607	6165	6883	9033	5944	7178	8569	7196	9343	9810	7237	20821	6034	11454	16181	12704	13448	0	13099	11179	4181	10688	10836	12609	7005	10377	7203	11133	5243	0	5916	13578	Peptide	0.4090909	1.0454545	0.13636364
18	C20 H27 O12 N1	474.1606	474.1612	-0.038826007	474.16058	165899	151365	153942	134647	152068	145758	74235	173337	190249	233942	129046	95488	289794	75595	164102	131164	87660	309058	262973	325498	351922	183033	168846	155455	102123	133316	68008	80331	179824	155455	139943	143504	149674	119507	237109	164194	153559	114464	78224	214898	134478	118964	7158	1527	745	437835	454428	710	133526	167524	154197	145003	124159	1014	318712	133531	91404	106714	145098	67228	145944	192185	196606	194884	78510	136652	114729	75358	176366	177766	173907	150465	123374	178141	94641	123917	755	119560	94115	119140	117186	296897	70519	109373	164048	123530	83236	81487	107167	44792	75354	112949	162609	113379	169672	1998	150447	177004	157955	90694	103082	168099	109427	157534	311581	110920	150591	1197	78107	220315	Lipid	0.6	1.35	0.05
26	C20 H27 O12 N1	474.1606	474.16116	-0.08007349	474.16055	7913	6250	6796	8043	6514	6606	0	9280	5026	21335	4699	4912	5507	0	7565	0	0	9747	5604	27925	22782	3845	0	8997	0	5438	0	2810	0	0	4225	5593	3296	4450	16026	0	5455	5557	2189	14290	10856	0	0	0	0	32056	41058	0	6027	0	7486	8414	3946	0	6340	0	0	2517	4377	4736	0	12724	5359	5108	0	3997	3663	0	10612	16385	14254	6011	6561	0	7101	3986	0	4119	5376	0	4685	22968	0	6247	7414	0	2374	0	4807	1888	2366	4299	6019	2917	7369	0	8263	7621	4068	3925	0	4916	0	8016	25203	3701	4540	0	0	10209	Lipid	0.6	1.35	0.05
28	C20 H27 O12 N1	474.1606	474.1612	0.04127732	474.1606	8557	7808	7735	6984	6570	7437	2906	10068	5608	25111	7078	3451	8766	3151	4129	6737	4023	9941	8712	30570	34364	5796	3866	7003	0	6927	3109	3397	6624	4577	5074	5847	5452	5487	22674	5603	5187	3945	3796	15020	10750	4209	0	0	0	30219	33575	0	7303	7838	8914	6849	2804	0	5801	2994	2460	5717	5940	2476	4381	12931	5267	4394	2328	5248	3778	2960	16801	23242	21272	6963	5291	8388	5749	3675	0	3969	3729	4542	2521	18676	4265	7613	4181	3227	1995	1590	3441	1729	3213	4589	5761	4103	6922	0	7901	6077	6540	2106	0	5988	2502	8032	26005	2977	4988	0	1450	8149	Lipid	0.6	1.35	0.05
22	C20 H27 O12 N1	474.1606	474.16122	-0.010150879	474.16058	55964	53496	51648	48144	55994	63330	16442	76772	63386	113176	51155	40864	74306	18640	53376	38550	39800	98812	74488	113832	122335	60198	50575	51780	31394	58534	21654	18984	64854	55224	55066	43530	41428	52510	83822	63212	47368	46342	28140	85182	66129	34625	0	0	1000	219594	267556	0	43438	63229	63606	53482	45743	862	80306	54854	36078	41190	44110	30996	45492	86765	53836	66568	18234	53684	38568	25574	90315	86839	90612	59032	55230	64928	41343	47172	1110	47210	31854	42418	29990	153750	26680	46238	65810	35508	25664	30224	40880	19675	23212	29640	45382	42814	59601	0	52350	53834	56242	26694	30900	47988	42482	54018	190205	38510	52870	0	28730	83632	Lipid	0.6	1.35	0.05
10	C20 H27 O12 N1	474.1606	474.1613	-0.039626297	474.16058	76444	69245	61536	57505	52444	40354	42810	82985	70470	102799	72361	51930	98315	26730	62984	84018	66829	88579	94452	128310	141724	92842	81053	79464	30246	38359	43344	31686	73727	76473	61429	55149	71266	54923	124495	70793	57498	53259	53877	77755	89424	49767	2687	0	0	140570	192338	0	58742	76575	69983	64098	46677	345	108813	66424	33181	66135	67282	58049	91384	66959	81960	70658	32203	60410	54170	55383	80439	42374	64843	60059	56123	71937	60372	58485	0	53929	55290	55916	55710	78535	37736	34462	80389	44919	46418	37994	40451	41459	19933	40188	84349	63575	92586	602	66342	93054	66249	45614	60717	82541	48431	79478	141910	55363	73813	0	29697	82320	Lipid	0.6	1.35	0.05
12	C20 H27 O12 N1	474.1606	474.1613	-0.023833347	474.16058	117757	121419	124283	106578	118361	93482	97863	183063	165406	186882	137360	101061	194694	55322	144531	126928	148852	212173	224225	285623	327142	177906	183909	153820	70534	85032	63264	69771	157835	132744	119175	91869	142378	96494	282640	136854	114103	115515	109364	175865	176400	104406	4193	371	0	315102	399321	403	106658	150466	114018	115953	104910	234	253617	126009	75297	104830	184429	129053	148793	183676	194393	155882	69545	130044	101258	112530	192379	116650	145000	115973	119737	143116	98725	90912	194	115174	112567	145888	116778	210859	78974	81139	153887	100748	96268	68711	99296	82308	50680	100758	158914	134619	143249	1051	123669	208042	149491	87695	107386	156848	93526	151057	368069	107986	154881	0	70596	190627	Lipid	0.6	1.35	0.05
12	C24 H27 O9 N1	474.17587	474.17654	-0.03717251	474.17584	34905	35847	31043	42084	22088	19309	22125	28593	29903	92466	58089	15865	28703	13320	17605	18784	26534	24950	27917	100966	117366	68544	22298	34281	18756	70237	10943	36396	24712	16779	23812	18171	28780	18652	147930	20282	23855	18154	27886	82466	82186	14193	562	0	0	62034	52873	0	21328	20324	34597	36971	15780	0	33652	15659	10354	30987	15713	28467	19259	54855	39045	25137	10623	29222	17638	32698	76987	115467	111988	22933	16907	19336	17644	19712	0	19184	27661	47251	18354	35165	22553	43110	21901	15589	27392	13978	16899	45514	28455	39140	40472	53939	45570	0	38459	46545	23440	19365	18403	30261	16476	31183	33586	23883	16437	0	21556	31403	Phytochemical	0.375	1.125	0.041666668
8	C24 H27 O9 N1	474.17587	474.17664	-0.024999559	474.17584	17663	15583	11977	12938	7951	7028	4506	9468	13500	58624	25694	5290	15415	4191	5062	9879	7237	10138	12388	45911	50689	28882	7878	11900	5500	23866	5107	18694	7390	6080	6510	9209	8066	7401	63057	6992	8468	6101	10563	32877	35698	4988	0	0	0	23033	27144	0	7031	6884	15350	14929	4335	0	12898	8618	4347	10623	5662	6942	6893	22243	12309	13156	4009	10524	6335	8286	23066	41494	48347	8134	6737	5771	5452	7269	0	5282	9274	7720	6486	11863	6236	24178	7728	0	8505	5369	5363	9345	0	11737	15671	21844	30382	0	12806	13184	8675	9797	7284	6606	3968	13873	11442	6599	6711	0	7448	13443	Phytochemical	0.375	1.125	0.041666668
14	C24 H27 O9 N1	474.17587	474.1765	-0.08399226	474.1758	57399	62099	60507	58018	29443	31253	29517	45714	37836	171191	87464	25112	41434	27642	28659	43925	34945	39275	48786	148378	146307	96403	29341	53505	34804	113639	25404	88206	37334	32784	35460	41029	46661	33572	191407	36442	41258	29941	43062	111122	112044	27969	0	0	0	76396	72877	0	41197	41509	54086	57977	28042	0	52541	33246	23535	52129	37023	33643	44165	82871	53318	33919	16374	49385	27646	40201	114278	159777	135437	33957	31709	31593	35607	34689	0	29598	38073	48170	30521	48019	35586	70496	38729	25960	42719	27384	29862	72610	57700	57959	73988	63157	95671	0	52252	57122	27010	32440	27293	45802	23373	54147	64174	46241	26817	0	29776	52152	Phytochemical	0.375	1.125	0.041666668
10	C24 H27 O9 N1	474.17587	474.17657	-0.035084385	474.17584	27807	23983	22086	22962	17599	12899	8810	11242	17741	90402	41702	8696	19048	9300	11491	13071	11690	17247	19869	66421	77128	49780	14489	20434	8616	46535	9106	32494	16432	11265	12620	14663	17813	13043	100175	8000	15907	9175	15147	54352	44160	8360	0	0	0	33039	34725	0	16462	13434	29380	27971	8428	0	20373	11959	5970	16920	6142	15418	21602	31257	22483	19266	7851	17800	11974	16112	52630	73116	65623	11373	11871	10117	10959	10296	0	10677	16389	21529	13450	19950	8969	25657	14316	9742	16704	9596	10634	25166	22426	11752	26664	34215	45028	0	29705	28604	14777	10977	10733	14330	8940	17015	14108	15797	12486	0	13172	19403	Phytochemical	0.375	1.125	0.041666668
16	C24 H27 O9 N1	474.17587	474.17648	-0.076299995	474.1758	77371	89032	66527	77960	54280	45292	39176	62907	56436	228416	120416	31885	75980	39956	51574	67382	48095	75005	77790	222709	217817	118719	50023	68323	49051	164465	38776	95580	48589	53910	55843	54103	69003	49159	267555	50282	67174	34465	47352	166006	146039	38955	1642	0	270	102227	97537	0	67765	48217	81372	81784	52967	0	67710	49055	29759	65919	51926	44501	62688	93920	80832	52897	26955	58651	44682	45153	155917	237952	205812	54425	52145	45641	36499	46908	0	37743	58750	83172	41746	67984	48408	115230	53650	32118	52360	40238	40029	108672	80955	89520	140378	96431	132896	0	79021	76996	42651	37930	40273	65410	32464	71272	64191	61937	44513	0	51521	81601	Phytochemical	0.375	1.125	0.041666668
22	C24 H27 O9 N1	474.17587	474.17642	-0.066898696	474.1758	41561	49910	37298	46624	45994	32788	15153	24980	45544	135748	76683	13157	53237	20930	21880	23295	13283	55559	49275	104933	127460	69658	28130	28738	20500	105104	8593	66489	22768	18287	19082	20441	27869	19370	159473	20772	32323	18321	17806	85128	63902	17425	0	0	301	75769	67299	0	21927	20089	44884	42907	37492	336	55389	41830	19308	24837	21652	14501	32598	63149	56255	35591	16066	46301	27103	14920	96335	148969	138605	21112	15161	11881	13035	15854	0	17979	33874	38138	25048	41449	18876	54710	50345	28128	31206	23238	21972	34684	33254	42056	46653	48391	80415	0	37209	52104	38656	35858	36387	27087	14497	27275	46963	26139	36166	0	13553	58630	Phytochemical	0.375	1.125	0.041666668
20	C24 H27 O9 N1	474.17587	474.17642	-0.05721062	474.17584	89203	74240	78111	80762	71154	59759	25882	51661	75587	262618	124003	29361	101059	47110	44969	51604	25429	87595	90434	206105	204473	112019	46503	60761	39325	193274	28187	113743	47696	38364	39845	40181	56662	37344	284777	29811	66178	33565	29191	176737	119037	42515	2528	0	0	127539	96262	0	42699	37670	76026	91436	65612	0	80214	63128	39375	53015	53725	28437	48972	101035	79970	63416	32966	77634	53122	35794	169146	242902	224133	42652	36364	29854	25656	41901	0	29986	54186	80064	37607	62838	39078	110647	70572	47247	50377	41856	38422	44955	75510	73668	98384	101146	145222	0	77472	87469	58991	59628	62733	56130	28072	55725	84685	52889	52769	0	39346	112436	Phytochemical	0.375	1.125	0.041666668
26	C24 H27 O9 N1	474.17587	474.17636	-0.08464874	474.1758	9746	9087	7592	6835	8345	6020	1778	0	11177	23900	13378	3517	13167	3950	0	7139	0	9846	7297	14087	16020	16851	0	9818	0	15936	0	10112	0	0	0	0	5166	2481	24778	0	5628	0	4036	15380	16405	0	0	0	0	7145	14495	0	3832	0	7957	7197	6131	0	12943	0	3675	6483	3337	3864	10882	9425	15178	10894	3446	10165	6919	5243	22256	27961	31601	3356	3015	0	0	2417	0	0	7628	10741	5211	5838	2706	6779	6097	0	5516	6359	5776	7849	5645	6436	9494	10085	20878	0	9046	7507	5059	7440	6777	5960	0	0	6631	7988	6274	0	3616	11990	Phytochemical	0.375	1.125	0.041666668
24	C24 H27 O9 N1	474.17587	474.1764	-0.04862325	474.17584	17120	17176	18603	22070	20030	11630	3462	8342	20924	61550	28691	6360	21783	9802	9342	10211	6106	26967	20524	37772	38175	28643	11597	16267	8064	42868	4045	21387	6484	2764	7917	6293	10049	8709	61951	7530	15498	6419	5820	32626	28594	10751	0	0	0	31202	27398	0	10599	6440	19299	13213	13303	0	19499	16258	6408	10555	7559	4608	11404	24947	25688	20948	6927	20505	8382	6566	47809	58359	69648	8488	7345	3168	6082	4877	0	5127	17345	16365	16361	20877	6827	20834	21463	9852	14699	11674	8775	9336	10172	12729	19979	21390	33787	0	18454	16851	13085	15109	14383	10314	5066	10650	21524	14257	11673	0	7458	32205	Phytochemical	0.375	1.125	0.041666668
16	C23 H27 O8 N3	474.1871	474.18777	0.01978935	474.1871	33031	32877	38795	38342	22981	23749	37908	45922	24954	28616	13559	29540	28377	13720	0	44880	54150	42046	33591	33581	27921	51453	32945	58185	51309	10191	0	12326	40055	51548	42597	32509	56957	29256	32374	0	61348	31524	48849	36206	33715	22875	0	0	0	34853	21456	0	49920	37008	33902	36290	25396	0	21233	18488	19774	69949	40535	26380	60441	21822	22692	19512	15920	25868	28625	46924	0	24410	18647	32818	27045	33783	32710	35802	0	25603	0	23927	37132	24351	36515	19524	21164	18241	47990	26100	28396	112257	56641	55033	89192	23411	33726	0	40702	37648	13057	21347	21755	47754	23957	45058	21000	0	21583	0	49564	30728	Peptide	0.3478261	1.173913	0.13043478
4	C23 H27 O8 N3	474.1871	474.18796	-0.057908732	474.18707	5662	5988	6785	5164	1887	2552	3004	5660	3509	4769	3133	3326	4609	1078	4548	6891	6464	3885	4774	4158	5262	8700	6232	8349	3735	2305	2732	0	4060	4112	5020	4571	6600	4038	7238	3836	5214	3728	10315	4427	7821	1923	0	0	0	5290	7539	0	4738	4204	4985	5095	2997	0	2946	4162	2240	5657	2500	6552	5993	4018	3122	3021	1430	3665	2380	8781	3613	3699	3842	3899	3792	3482	2457	4137	0	3552	6632	6885	4776	3879	3041	3746	3023	2652	6699	3598	3676	9315	20809	9280	15591	4146	6232	0	4837	4756	2545	6749	7211	6028	3142	7626	3969	5943	2294	0	3874	3497	Peptide	0.3478261	1.173913	0.13043478
6	C23 H27 O8 N3	474.1871	474.18787	-0.08608807	474.18704	20667	24183	22626	22138	10802	7984	14962	24648	9721	23685	16113	12017	12654	4557	15545	31159	21188	12646	19549	25803	28577	27914	18491	34587	13405	7919	9984	17262	17761	16748	19324	22092	26022	18938	24707	18689	23082	15082	28524	24450	29043	11630	0	0	0	22681	32583	0	32717	0	25150	25254	10380	0	15695	13750	8807	28300	9990	18891	25523	16735	12063	12882	6248	13692	13239	29595	7772	15897	15372	16543	16498	17075	10169	14787	0	12609	21360	20282	13690	12357	11914	13341	8446	8216	24565	13515	14052	35567	190917	82196	43052	24177	34445	0	26012	22774	6192	19047	22748	23459	13061	29966	20209	23246	8140	0	15482	14050	Peptide	0.3478261	1.173913	0.13043478
20	C28 H27 O6 N1	474.1911	474.192	0.07730955	474.19116	178861	149449	165645	141949	110489	136645	83423	222518	181504	266219	106931	91288	250147	74665	202066	141425	66130	253469	228428	283939	272726	170279	166470	208620	194619	107276	74849	67143	232346	159886	170671	147798	184747	156684	300986	185780	227463	120283	67416	198782	90538	111695	3027	873	652	254408	145146	0	170863	189816	166613	171671	115967	1207	306668	110161	75584	161989	173212	57320	166371	134954	184464	169423	55533	132098	115317	75555	97383	212315	83660	203208	167676	184821	107833	144367	432	143597	118087	78437	106666	129851	98126	100770	133810	99174	92262	74193	104478	57152	142350	180061	208629	76006	116040	1713	169165	195166	121877	95817	94302	168641	103684	184418	172238	158813	115892	659	110691	222801	Phytochemical	0.21428572	0.96428573	0.035714287
14	C21 H31 O11 N1	474.197	474.19763	-0.078799926	474.19696	184670	173341	165068	177514	121416	122244	132610	304576	174206	248720	149066	127366	227660	76714	266606	229575	162457	250628	245917	377043	351332	202647	262258	288923	206947	156071	102805	132398	278591	261790	186328	230956	216081	149451	318308	268398	188452	178261	119353	204716	153748	147803	5040	445	0	315619	223734	441	174769	254983	172910	169174	122110	889	299634	137974	82258	204586	311861	129080	290670	181850	176386	179957	88263	144819	121033	105397	158720	213948	130366	191948	186592	292850	155222	184252	234	173786	160707	158731	168515	180821	142591	122510	163843	138838	150619	115519	118554	120963	139849	163983	292080	122312	174529	1343	187942	249001	127069	111254	129391	249419	140280	312152	251945	158160	143139	0	132383	179288	Lipid	0.52380955	1.4761904	0.04761905
8	C21 H31 O11 N1	474.197	474.19778	0.07422409	474.19702	17946	19401	16259	14852	8665	9065	11398	22265	11193	22317	10614	13678	18645	4542	18274	20408	16647	14409	18527	26157	25199	21520	19003	20852	11578	9887	12073	6069	24809	23747	20027	19654	21483	15119	24400	25278	19309	14136	15894	16954	12566	10998	0	0	0	21628	22020	0	18798	27210	16726	15372	9201	0	20737	10512	8009	18063	21655	15580	25312	10217	17767	13334	6744	9523	8977	16322	12396	15507	12768	22740	16022	23398	12303	19062	0	14178	13527	23883	11465	13527	13219	10344	11429	8063	14129	7064	11853	14639	10803	13050	26797	9820	17522	0	14969	23628	9196	10022	10688	25701	12718	26536	6914	15752	11051	0	9915	17900	Lipid	0.52380955	1.4761904	0.04761905
16	C21 H31 O11 N1	474.197	474.1976	-0.05345198	474.19696	302169	288102	311056	299244	212133	228364	195092	473026	318736	502391	213886	193709	397786	115734	394802	339685	174835	448413	459636	666732	551134	336767	398776	420190	345070	218880	153196	174206	436143	373756	372936	336723	359869	291385	610897	410906	357460	256165	145258	367214	166877	211626	8549	1324	675	485675	305875	949	326237	392619	322116	303445	216867	2141	539904	219030	156815	312237	362922	133046	412215	264427	344235	307271	121619	256131	212053	143935	224163	344476	196455	387054	339076	459710	197644	315943	559	269897	262892	181327	219050	267752	233485	211004	249236	210633	201425	151068	210660	143252	224600	307934	487326	165107	299206	2516	317692	383133	214614	139224	187292	380620	213625	405215	262805	305718	232769	1035	197556	337410	Lipid	0.52380955	1.4761904	0.04761905
12	C21 H31 O11 N1	474.197	474.19766	-0.087175965	474.19696	73831	63171	67574	68286	51728	54665	79371	159947	73634	87590	63662	71227	89738	25771	107760	83552	97057	106461	101363	153755	170604	96758	120781	118634	83256	68309	44951	60796	132577	92658	96074	66381	101400	83738	145707	109131	69989	78604	72340	86121	82943	63084	1201	0	0	136744	121393	0	70805	116337	62928	60022	54362	346	125228	64644	42544	81067	141482	86928	115444	90899	91652	80932	36151	70789	54029	80161	90729	97431	76647	81037	89515	118744	63985	69827	0	84989	84685	53530	84169	90327	69828	64329	77705	59847	78374	40041	61302	74042	38760	73779	116456	58476	60574	633	68462	114714	65523	44149	67573	102196	70848	118509	96292	84597	75333	0	67404	80455	Lipid	0.52380955	1.4761904	0.04761905
10	C21 H31 O11 N1	474.197	474.19766	-0.09659203	474.19693	41710	30863	38428	39219	19844	20710	32193	68071	27465	49717	31156	31808	45631	12703	46890	57404	34061	34068	44695	69955	67925	52191	42579	65720	32012	35292	26717	21888	60625	54918	40927	47822	49864	35422	50531	55874	42856	34996	33569	39428	32073	26423	908	0	0	60053	58793	0	48680	58786	41869	44862	24481	0	48686	25154	17774	37448	47506	33981	52848	31625	36080	30527	18091	22504	26417	36506	45526	34814	31791	38802	42880	63140	30965	46101	0	31955	36323	21406	32079	31558	32706	20030	35427	26644	30354	14811	22923	31370	18555	40818	62212	24188	39501	0	43250	54923	26741	23805	30062	54984	29925	74008	35711	31543	25958	0	31151	40383	Lipid	0.52380955	1.4761904	0.04761905
6	C21 H31 O11 N1	474.197	474.19788	0.15409702	474.19705	16182	13570	11296	11000	7952	9088	7996	22502	12726	16416	9578	9886	17604	5108	11504	13314	14142	15710	13588	17800	15896	22756	12158	21398	9894	5454	9296	9170	20970	17712	17418	19312	20896	16346	23542	18984	17090	10778	16204	17380	15152	9198	0	0	0	17296	16534	0	19884	19922	13726	12962	6502	0	17346	8946	4862	16862	14658	11300	19792	6264	18434	11076	5646	11642	9206	14600	6986	8458	0	17778	13502	17932	6792	14106	0	13846	9878	6650	7882	8986	10762	5904	14042	7942	10460	11772	9420	12218	0	18900	28130	9736	16464	0	16540	18060	4496	9776	13450	24904	8398	25804	0	14238	6866	0	10234	19028	Lipid	0.52380955	1.4761904	0.04761905
16	C20 H31 O10 N3	474.20822	474.20908	0.20171653	474.2083	27160	43520	31570	44110	18310	15010	34880	58340	16940	0	17040	25304	0	15340	39052	21530	0	27090	0	33090	34520	0	26750	23071	53260	0	0	6200	76166	51890	22020	0	50340	55500	46930	46460	74390	27840	2986	25290	17100	27520	0	935	1257	19860	0	722	54287	54092	0	27970	23790	5033	45520	14030	18412	40740	51610	0	0	22770	0	19040	11160	15210	0	0	0	10360	0	66730	38104	76782	46260	31167	0	30080	20680	0	29350	13010	27690	25660	0	1267	17410	30190	28980	0	75226	55018	0	19270	26600	3114	32380	18080	11080	0	0	51010	29400	56740	0	0	0	5210	35610	30670	Peptide	0.5	1.55	0.15
8	C25 H31 O8 N1	474.21225	474.21298	-0.0675699	474.21222	13208	12971	12632	12694	4603	5485	6009	10954	6439	31147	17798	6480	5438	4742	7813	11688	7090	6552	8333	43003	40248	15167	8046	16711	8077	21299	4072	13301	10628	11885	10712	13535	13744	9661	41127	10907	12640	5202	10232	22158	20579	4755	0	0	0	18611	20318	0	13695	11055	12205	8931	5795	0	7385	2824	3889	10855	1523	3664	8653	10727	10779	6966	2508	8840	7722	12953	16102	32276	30969	12908	10053	6902	8659	9373	0	7764	7538	9908	5712	3793	3489	19297	4547	0	8836	5353	6345	15621	17018	10358	21935	11970	22630	0	13313	14551	6979	2749	3536	11268	5367	20941	0	9498	5145	0	8979	7185	Phytochemical	0.32	1.24	0.04
28	C25 H31 O8 N1	474.21225	474.2128	-0.006567618	474.21225	86364	86702	87396	90818	57617	24753	102586	98484	26060	17291	22012	56598	31192	112164	70641	267406	343440	43688	83571	13824	18824	65919	124658	358987	131456	14743	57571	18123	122230	101326	87753	133343	301793	121128	20754	97432	136256	67027	370054	12166	13087	88060	4447	2838	0	31714	26127	0	146117	69314	93619	92068	94729	5122	37515	17739	27149	301701	10533	14361	248460	7464	30191	31101	29695	45154	92030	369981	20844	23547	33462	53327	69396	43324	131803	77770	0	49583	154609	15435	149358	16716	17031	5839	32980	31982	217936	130786	137355	424457	35568	29886	212279	7879	16453	1569	94778	89210	22533	32008	38053	321755	42625	28084	12849	353064	23898	2714	184548	25195	Phytochemical	0.32	1.24	0.04
12	C25 H31 O8 N1	474.21225	474.21292	-0.06639192	474.21222	21950	25262	19347	19731	16185	10054	14290	24348	16777	55705	31953	11047	11374	8563	13487	21918	27369	9874	25598	77532	74815	28732	20674	22494	15916	45352	10903	29907	16700	19602	18783	19168	24559	13648	84798	18984	18513	16019	25724	56390	41227	10560	0	0	0	34370	23404	0	19712	20532	21921	25587	13720	0	12015	8983	9454	24760	6932	22566	0	27272	13670	13422	8204	14662	16646	20328	43175	82132	64488	15337	13095	11368	18597	17258	0	14963	18469	21583	15339	14517	11481	27845	10235	6832	21522	11427	12127	44957	44178	26501	35996	22151	36145	0	20364	28656	12624	8400	10375	22898	13581	28390	0	16457	10723	0	17633	15081	Phytochemical	0.32	1.24	0.04
26	C25 H31 O8 N1	474.21225	474.2128	-0.10611113	474.2122	20567	21073	24123	22253	27254	21637	9626	21187	18216	31220	19919	14802	33703	22019	17877	30487	36074	34185	37126	28620	29462	21485	14895	30165	16740	35787	12656	18979	22614	16263	17371	15135	50901	23429	34754	18687	63485	12273	46454	22798	25008	13503	0	0	0	23177	17750	0	24507	15829	24714	20536	21353	0	24825	14848	9502	27263	5859	7668	24991	16643	20045	16490	5336	27867	18539	32814	45792	49729	69794	19509	15151	11278	21782	14806	0	12986	18921	11843	18587	11041	7311	15616	18988	8701	18157	21646	17796	23720	14523	11823	48794	9483	17861	0	22234	24356	13512	20760	15921	49253	10163	10726	7879	34835	10278	0	15745	25121	Phytochemical	0.32	1.24	0.04
8	C24 H31 O7 N3	474.22348	474.22427	0.014346393	474.22348	16906	15597	13162	15933	6814	0	10222	14908	5340	11225	10133	8117	6187	3021	13422	18670	14089	8063	10940	19032	18224	22238	12368	25906	19507	4376	11276	8435	14645	0	15392	16910	21223	12442	15103	13891	17854	10504	17770	21976	9933	9212	0	0	0	21206	12799	0	20691	15644	14201	12885	7233	0	11187	11788	5958	19892	3021	5299	17205	10958	3257	5096	3347	6055	6673	16477	4365	11556	5690	13792	12232	12006	11718	12269	0	10063	17733	14783	10733	8016	7812	11395	3174	4704	14063	7290	7788	27661	25034	37247	37956	12706	21489	0	14485	12086	5282	15120	22123	16494	7410	18836	6830	16519	6759	0	16355	5509	Phytochemical	0.29166666	1.2916666	0.125
6	C24 H31 O7 N3	474.22348	474.22424	-0.02856013	474.22345	7967	9441	8643	8152	2536	3907	7230	13679	5042	10104	3478	5999	4154	2689	9181	10572	7961	3816	7863	13234	11050	11968	7441	16716	11440	3525	4552	4021	8837	6312	6323	10530	13302	7071	8129	8716	11522	7274	11282	11358	7549	3711	0	0	0	8192	9782	0	10861	11168	11336	12034	3382	0	5323	8598	5167	14038	1966	2954	13724	7407	1821	4218	3535	4242	4235	12436	2597	6430	4484	8239	0	6846	5893	6339	0	5076	8889	5841	5897	3827	4835	7822	3512	3146	10817	2888	5565	15513	16199	13188	22766	7141	14111	0	9859	6699	2826	10050	21798	12456	4751	12127	0	9459	3536	0	9143	1746	Phytochemical	0.29166666	1.2916666	0.125
12	C22 H35 O10 N1	474.23337	474.23404	-0.04793871	474.23334	12291	8013	14368	10881	9213	7794	18626	34151	11563	7694	5783	11886	10180	6511	24552	14998	23380	13162	20752	20276	19807	14638	23165	27494	22619	10022	8331	0	30997	20173	22175	17046	27183	14185	17605	25417	18318	16257	17549	12657	5722	10836	435	0	0	17090	6644	0	12786	20089	9805	9666	10981	0	20854	10266	7501	13300	21554	12462	0	11363	15468	11636	6951	8523	12133	20137	0	9630	10359	19070	17201	24350	12113	13951	0	17590	16984	0	17102	12937	18956	9023	14751	11108	19121	5071	9939	13105	9297	12027	20941	0	8598	0	10857	14502	8107	6867	14999	16003	14841	19956	0	12453	12456	0	14038	10882	Lipid	0.45454547	1.5909091	0.045454547
14	C22 H35 O10 N1	474.23337	474.234	-0.07261981	474.23334	34532	29593	36188	33598	18426	22846	41143	74136	35235	24731	16895	31676	47869	15656	60066	65393	44076	35888	52200	49194	48003	27650	54819	63327	55866	23260	25221	16944	67512	60659	36414	35344	56721	33448	38522	67699	39445	44074	32295	23356	13750	36248	0	0	0	44394	30525	0	44547	58339	29373	34930	25542	0	54397	37182	20738	51123	58928	19685	52748	21360	39498	31892	21331	23755	26399	26478	19664	28620	17755	38439	41390	63490	54849	43474	0	42429	44315	21269	37004	28742	36111	17656	38451	35582	39692	17766	29786	28712	31114	30629	68210	18594	19910	448	38986	55800	23641	28748	39810	65222	29903	65492	25666	41981	28094	0	34917	32682	Lipid	0.45454547	1.5909091	0.045454547
10	C22 H35 O10 N1	474.23337	474.23407	-0.050220177	474.23334	11189	8011	11642	9094	2046	4240	20562	15589	4529	8349	8875	6040	6407	3241	9195	14073	9588	5723	7046	10781	10172	9884	9457	12638	10651	6369	46286	12524	15120	14023	10526	12594	12943	6670	5481	13683	13761	10643	10089	7512	4930	4333	0	0	0	8638	21680	0	12435	10326	13498	10147	2657	0	8946	5504	4181	10427	7258	4464	12853	10407	6910	7424	44270	3483	5699	10418	45471	7441	29429	8445	10835	19293	7738	9898	0	9371	7078	7684	8808	13815	8165	4522	7461	3802	9582	3511	5683	17675	8499	9046	15340	10059	7468	0	11837	12894	5949	4743	4527	11228	7455	9047	0	8050	4896	0	9253	4134	Lipid	0.45454547	1.5909091	0.045454547
10	C21 H35 O9 N3	474.2446	474.24503	-3.25E-5	474.2446	1466	2999	2090	1316	0	0	0	0	0	2374	3110	0	0	0	0	2207	0	1564	0	0	0	0	0	0	0	0	0	7804	0	0	0	0	0	0	0	0	2415	0	0	0	0	0	0	0	0	3132	2500	0	0	0	1039	1969	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1241	0	0	0	0	0	0	0	0	0	0	0	23269	0	680	0	0	0	0	900	0	0	0	91531	26498	0	4466	0	0	2073	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.6666666	0.14285715
26	C26 H35 O7 N1	474.24863	474.2492	-0.07061539	474.2486	26640	24175	25819	27939	28458	17135	9943	22032	26885	38362	39239	11168	31237	14294	17417	24961	10371	18378	30647	56174	56347	23707	20357	29506	27765	104078	7633	43760	28703	19314	19202	20800	28864	23195	46555	25507	29442	15404	16657	39302	37666	13701	0	0	0	25908	22123	0	24067	18332	26042	27340	23240	0	26721	25438	11264	29081	18178	14748	33718	22603	28742	19704	7729	29260	19354	18308	90866	86494	94642	23954	18277	19158	12042	17883	0	16976	24775	16516	15609	17934	15424	32850	23950	12785	27542	16840	15237	32360	22604	31999	43017	20347	25934	0	26185	24514	17972	26259	24622	33257	10324	31657	13228	27057	21195	0	19371	21926	Lipid	0.26923078	1.3461539	0.038461536
14	C26 H35 O7 N1	474.24863	474.24924	-0.08706398	474.2486	10781	14100	7726	9293	2867	5396	11360	12268	3508	21836	14863	7201	3659	3398	8236	14764	18231	3325	5226	23826	23721	6004	3909	14421	6366	24487	7254	18987	10731	9999	9413	9795	19609	10812	21523	10385	21127	5848	18968	14397	14087	6287	0	0	0	7210	13898	0	14129	11024	12515	11393	6032	0	4488	1785	3569	18939	0	0	0	5890	0	3413	1433	5087	5576	23998	16213	29413	24134	6542	6988	7992	14117	10846	0	5068	9308	0	8378	2724	2479	11343	3983	3963	10406	5127	7304	28818	23746	7370	23520	8911	12890	0	11169	11552	3392	2242	2217	17783	6178	9183	0	15395	1623	0	9033	3590	Lipid	0.26923078	1.3461539	0.038461536
12	C26 H35 O7 N1	474.24863	474.24933	-0.0230848	474.24863	11765	12156	7691	11142	4467	4031	12460	9673	2390	19684	15321	7712	0	2243	7058	10492	22307	2288	6531	26861	34115	9713	7595	11626	7794	17072	12895	18096	17098	10747	13900	11457	36708	12194	29204	9172	31363	6653	29605	23203	8799	6549	0	0	0	11571	5986	0	17839	9553	12999	14468	3015	0	4398	0	1818	14356	0	0	17137	6888	2168	1643	2467	2376	7211	31972	0	30995	25971	12010	14316	12407	11191	11824	0	5094	5354	0	5552	1217	1761	11351	1067	2416	9358	3940	5948	30253	14206	6052	25454	12681	12917	0	15157	12491	2749	0	2259	24219	7976	11643	0	15163	2332	0	6628	0	Lipid	0.26923078	1.3461539	0.038461536
16	C26 H35 O7 N1	474.24863	474.2492	-0.13716967	474.24857	17958	18302	17580	18831	4805	6337	14240	20204	2463	22503	18828	7999	6130	5475	10009	31151	28453	5314	9233	36369	31578	16738	11913	18804	15147	35855	13989	16077	14609	14370	16702	15618	26017	13852	35679	17720	22317	12603	33938	23020	20421	8161	0	0	0	17815	11437	0	25692	16020	13264	15893	7259	0	3576	3052	6991	34455	5798	12250	32747	11070	5105	7563	4514	5627	10675	29128	23788	42795	48117	11807	17650	16643	21503	18690	0	9024	22056	19773	10930	5569	8133	17075	7480	5746	31506	10177	10112	107934	26796	19872	48302	11807	24421	0	25075	20316	6782	4031	4559	28172	10889	14792	5996	22112	6562	0	16177	4576	Lipid	0.26923078	1.3461539	0.038461536
28	C26 H35 O7 N1	474.24863	474.24915	-0.09583749	474.2486	3813	3863	3073	3188	5240	1841	1857	3500	3922	6737	4887	2003	5512	1982	0	3067	3444	3192	5604	6777	6960	5313	2430	5175	3214	19457	2596	6333	3383	3367	5468	3597	8297	3529	4110	3388	10027	2874	2764	6067	7113	0	0	0	0	3471	3342	0	3443	2690	4440	3650	3876	0	4743	3583	1702	6523	2453	2241	5615	2457	2893	2345	0	6001	3482	5491	19169	16278	29957	3233	2813	2717	0	4301	0	2181	4365	3859	3019	2330	3375	3976	5260	0	6139	2572	1830	7402	4009	5802	5312	3425	0	0	3064	4740	1515	5080	6423	4823	1782	5031	0	6608	2835	0	2844	3182	Lipid	0.26923078	1.3461539	0.038461536
10	C26 H35 O7 N1	474.24863	474.24933	-0.04535724	474.2486	10906	11577	11793	11192	2251	4853	7192	16819	1661	18340	8736	7153	1849	1361	5922	14065	13592	2664	6072	28268	27623	8742	7764	14342	8243	16165	8223	10237	11184	13131	10716	14210	25732	9872	21676	14401	29846	6340	19274	11320	6202	3629	0	0	0	8427	6125	0	13158	9416	11370	9619	3378	0	1219	921	2047	14926	0	0	9059	6609	1567	2907	1373	1447	6191	19734	9742	23883	15937	12483	10759	11896	12159	11860	0	8905	6028	5804	6271	1558	1626	10244	1249	1866	6581	3049	4507	27100	10690	3716	27716	7745	14455	0	11933	11467	1576	0	783	22374	6363	13193	0	10371	1533	0	5695	1546	Lipid	0.26923078	1.3461539	0.038461536
8	C20 H35 O8 N5	474.25583	474.25623	0.0928733	474.2559	4339	2178	3427	2565	657	2669	0	0	0	0	7115	0	0	2454	0	0	0	0	0	0	0	0	0	0	0	0	0	63505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3696	4340	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	390712	0	0	0	0	0	0	0	0	0	0	323868	113097	0	39131	3173	0	2795	1851	0	0	0	0	648	0	0	0	0	0	0	0	Peptide	0.4	1.75	0.25
6	C20 H35 O8 N5	474.25583	474.25662	0.075906634	474.2559	13784	10022	8398	9255	0	10176	0	0	0	1145	16123	0	0	0	0	1409	0	0	0	0	0	1436	0	0	555	0	0	152774	0	0	0	0	1018	0	0	0	0	0	0	0	0	1155	0	0	0	0	0	0	0	0	8871	10364	531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	730312	0	0	0	0	0	0	0	575	0	0	673158	223459	0	65933	7817	0	7654	6126	0	0	0	0	995	0	0	0	0	0	0	0	Peptide	0.4	1.75	0.25
2	C20 H35 O8 N5	474.25583	474.25632	0.14264601	474.25592	888	972	1056	587	0	0	0	0	0	0	1069	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	60477	0	669	454	0	848	609	0	612	1239	0	565	0	0	0	0	0	0	0	0	0	0	0	723	751	339	0	0	0	0	0	0	0	0	0	0	0	0	1148	0	0	0	0	0	0	900	555	0	401	0	0	0	253385	0	0	0	0	0	0	0	558	0	1151	23659	13489	0	12723	0	0	1513	920	466	0	0	0	864	0	0	0	0	0	345	0	Peptide	0.4	1.75	0.25
4	C20 H35 O8 N5	474.25583	474.2566	0.07769061	474.2559	2711	3045	3288	4122	0	11130	0	0	0	0	4684	0	0	0	271	1535	0	0	0	0	0	0	0	0	0	0	0	67576	0	0	0	0	1080	0	0	0	793	0	0	0	0	1182	0	0	0	0	0	0	0	0	3625	3294	477	0	0	0	0	0	0	0	0	0	0	0	0	500	298	0	0	0	0	0	0	0	0	0	0	283	0	394673	0	0	0	0	0	0	0	0	0	0	280245	101437	572	21819	2841	0	3335	3230	0	0	0	0	708	0	0	0	0	0	0	0	Peptide	0.4	1.75	0.25
10	C20 H35 O8 N5	474.25583	474.25635	-0.030445699	474.25583	0	1589	0	0	0	1280	0	0	0	0	1917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1693	1197	0	0	0	0	794	0	0	0	0	0	0	0	1479	0	1464	0	0	0	0	0	0	0	0	0	0	0	0	97573	0	0	0	0	0	0	0	0	0	0	72228	12820	0	11720	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.75	0.25
2	C27 H39 O4 N1 S1	474.26724	474.26767	-0.32403326	474.2671	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9638	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	51022	0	0	0	0	0	0	0	0	0	0	27661	2469	0	6567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14814815	1.4444444	0.037037037
0	C27 H39 O4 N1 S1	474.26724	474.26764	-0.6421626	474.26694	0	0	0	0	0	10745	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	85460	0	0	0	0	0	0	0	0	0	0	34956	5371	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14814815	1.4444444	0.037037037
18	C23 H39 O9 N1	474.26974	474.2703	-0.0779204	474.2697	9111	9578	11651	8764	2939	4869	19976	20381	8998	0	2173	7115	11562	5307	11772	16413	8601	10677	16562	5907	6465	4187	9880	19702	15820	2990	12327	2993	23087	21169	15603	15544	20385	11036	4565	18745	17532	13686	11462	3574	1508	8056	691	0	0	4448	1429	0	14425	10213	7691	9842	8924	0	19797	12402	6844	19344	8064	3000	16661	4584	11705	8673	6411	9284	6386	9414	0	3019	0	11727	9966	25860	18463	10891	0	12002	9721	4778	10090	1996	30999	12667	12341	10402	10328	5672	11031	8037	7990	7784	17427	0	0	0	9645	12707	5117	7058	11772	17332	9051	11903	4726	11461	8241	0	9287	7020	Lipid	0.39130434	1.6956521	0.04347826
12	C27 H39 O6 N1	474.285	474.28568	0.029728757	474.28503	4728	3927	4482	2721	0	0	2767	10826	0	0	2383	5159	0	0	2691	8762	7971	0	2039	4401	4491	0	3216	7395	4007	2644	4786	0	7856	7561	6115	7506	20970	6515	4973	7296	12466	3277	6199	1766	0	1771	0	0	0	3395	0	0	8240	5280	3456	4313	978	0	0	0	0	5180	0	0	0	0	0	0	0	0	1917	14164	0	1669	4193	3408	4167	5735	6194	7816	0	3226	2874	0	1213	0	0	2023	0	0	0	2397	3633	35071	5095	0	26965	0	4036	0	2282	2526	0	0	0	11417	3610	3793	0	19826	0	0	2160	0	Lipid	0.22222222	1.4444444	0.037037037
20	C27 H39 O6 N1	474.285	474.28555	-0.079698876	474.28497	10015	14236	11859	12532	10423	6074	15792	17519	2612	11036	8838	11147	0	2941	11507	26386	22092	4414	7045	6189	9457	15473	11355	17847	15834	24812	14577	8542	19694	14035	20038	23160	20768	25843	4101	20038	14175	9432	18842	6397	13321	5858	0	0	0	2770	5767	0	21114	16330	14883	9963	4624	0	2414	2105	4267	24918	5200	9667	23556	2942	3669	0	6983	6660	9053	19078	16100	12215	13853	9644	11301	12714	20688	10429	0	12897	12971	7905	7246	3474	8025	7191	6871	7354	10949	8646	7992	56131	15439	11830	233899	5163	9112	0	13904	17463	3893	4498	5830	22448	11861	7508	4547	71397	8975	0	9550	2182	Lipid	0.22222222	1.4444444	0.037037037
16	C27 H39 O6 N1	474.285	474.28558	0.04808105	474.28503	2762	1949	3135	1773	0	0	1105	5300	0	2240	3998	2848	0	946	3347	5197	2876	0	0	6014	4224	0	1761	2386	3189	4704	2602	3640	3504	4774	6940	6778	8791	5399	3431	7295	21756	2846	2448	0	0	0	0	0	0	1421	0	0	5399	2128	1567	0	0	0	0	0	1388	2930	0	0	0	0	0	0	0	0	0	4651	0	5750	0	4255	3252	1807	3026	4824	0	3712	0	0	1512	0	1619	0	0	0	0	0	1829	0	8835	0	33523	0	1975	0	2408	2016	0	0	0	8644	4656	2858	0	0	0	0	1195	0	Lipid	0.22222222	1.4444444	0.037037037
6	C27 H39 O6 N1	474.285	474.28574	0.07902769	474.28506	927	789	1060	1031	0	0	0	900	0	0	0	0	0	0	0	1695	0	0	0	0	0	0	0	0	0	0	488	0	841	576	664	704	16327	713	1397	1178	20037	711	0	0	512	0	0	0	0	0	0	0	0	607	733	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1082	0	0	0	0	0	682	0	613	0	0	575	0	0	0	0	0	0	0	0	0	0	1363	0	0	1247	0	0	0	1244	0	0	0	0	11799	0	0	0	908	0	0	0	0	Lipid	0.22222222	1.4444444	0.037037037
18	C27 H39 O6 N1	474.285	474.28558	0.036298025	474.28503	2881	4765	3197	1836	1229	2270	2348	4928	1000	0	3786	4402	0	0	3440	6710	3518	0	0	7128	3637	0	1814	2158	3853	4546	4913	4371	3144	7031	8266	7569	11916	9648	0	2953	23038	1770	6129	2316	0	2638	0	0	0	2718	1403	0	6396	3700	2199	3507	2169	0	0	0	994	6759	0	1675	2814	0	0	0	1503	0	2140	9958	4074	3958	5648	3158	2888	3990	5426	5495	0	2494	1781	0	2168	0	0	2408	1312	1238	1665	2088	1338	14620	5784	0	48609	0	0	0	2281	5041	0	1401	1543	7993	3001	5265	0	12718	0	0	1355	0	Lipid	0.22222222	1.4444444	0.037037037
14	C27 H39 O6 N1	474.285	474.28564	-0.058008388	474.28497	2602	5590	4672	3702	0	0	0	7631	0	3293	5616	5220	0	0	3855	8643	3975	0	0	4018	5841	0	1299	5434	4371	3467	3016	0	7489	8261	11099	7298	25869	6822	2607	6668	40706	3289	2165	1360	0	1809	0	0	0	0	0	0	8751	7154	2256	4100	0	0	0	0	0	7030	0	0	0	0	0	0	765	0	1726	6542	0	3355	1367	3793	4360	5058	4261	5287	0	5400	0	0	1763	0	0	0	0	0	0	0	0	8373	6456	0	34316	0	0	0	3236	2787	0	0	0	19468	3981	3736	0	15095	0	0	0	0	Lipid	0.22222222	1.4444444	0.037037037
28	C27 H39 O6 N1	474.285	474.28555	-0.10929789	474.28497	5036	6087	4559	5143	17271	3453	3231	5780	7677	2798	6599	2211	9750	4309	4309	3429	5142	2596	8121	3456	7135	3092	2375	3160	8991	18340	4571	9037	4342	4379	3704	4989	5565	5282	5273	6355	6370	3541	4489	5085	5592	2745	0	0	0	3383	0	0	5950	3375	6112	5967	11559	0	12102	14918	3952	5896	3397	3803	5432	3626	3984	7431	3330	7997	5706	4135	15762	9652	17905	3666	3339	3255	3215	3491	0	3148	4702	9083	2273	2615	3230	4105	15976	4765	12925	2734	3561	10314	3670	5959	9286	13661	4751	0	7479	5465	7404	23938	24490	6296	2382	4289	0	7796	14911	0	5135	3031	Lipid	0.22222222	1.4444444	0.037037037
14	C20 H43 O11 N1	474.2909	474.29156	-0.03182757	474.29086	106376	111970	100094	94562	49170	56166	119867	41213	35596	89290	208693	48053	41679	59804	50568	39770	88980	36242	20984	74440	46746	89317	40582	55977	40019	34824	408671	603491	35068	43665	37629	32675	37803	37769	36170	42338	39190	63618	65084	78770	331995	42540	105251	94548	64420	139731	319662	90175	39115	38019	99275	101094	44459	69869	29138	36318	55292	81718	358040	329686	323661	238876	134381	43098	62096	82175	66389	94768	1017000	99530	324261	40162	39078	35896	36155	49739	80100	46457	42195	854641	42071	73045	42450	46768	39367	50544	41168	68424	48115	155545	75959	70852	67733	141013	86655	89643	105485	94394	53965	36425	35127	52399	46892	116675	2794910	40562	33524	97968	40733	63543	Lipid	0.55	2.15	0.05
16	C20 H43 O11 N1	474.2909	474.2915	-0.018873192	474.2909	534154	466168	490936	512326	124038	138868	129362	94882	127354	87882	406842	143862	87882	129788	105762	76628	102498	96488	76548	93476	80302	100908	104566	83890	112852	90030	124326	150492	86438	86374	107750	105154	100850	102790	75560	92100	81120	133926	131348	447356	144124	120222	261150	311924	249622	489048	209804	305360	102512	106616	470740	496974	135292	270072	71704	103124	147956	95044	4621440	183128	118874	1199840	118036	109662	168180	107274	138398	118694	131530	98998	124852	146154	142840	105902	57394	119144	268058	123756	112190	153610	104620	127928	116718	112538	109150	151162	101652	159200	122010	88266	93180	98488	77272	174790	103128	258820	453492	489362	132208	117294	103258	83924	118260	614600	65007642	135918	98184	304150	120654	80540	Lipid	0.55	2.15	0.05
12	C20 H43 O11 N1	474.2909	474.29156	0.014195558	474.2909	84880	82463	98463	92821	1532	0	14701	0	3024	110953	171416	1579	0	1307	1422	29810	9701	0	0	177782	5469	113099	0	59229	0	2553	86923	108506	1362	15620	1631	12766	1648	1549	8724	10060	6861	2221	4414	38879	63647	4232	4520	2914	1445	132710	470968	2903	14111	28702	95468	94634	1206	3013	0	0	1594	45643	200711	50920	413149	85535	7120	0	883	3544	1041	5298	132126	43517	144834	4354	2536	12508	13404	8071	2375	1256	2362	171867	0	3051	1855	1362	1898	1487	0	1790	1889	20583	0	0	20622	44935	221083	4138	84473	95633	8040	895	1706	37004	1976	253757	1125503	0	917	4128	1141	3124	Lipid	0.55	2.15	0.05
10	C21 H39 O7 N5	474.29224	474.29276	-0.021039257	474.2922	1111	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24469	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57181	0	0	0	0	0	0	0	0	0	0	138023	39308	0	5318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8571428	0.23809524
4	C21 H39 O7 N5	474.29224	474.29297	0.23247403	474.29233	1497	1805	988	603	0	2828	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59580	0	0	0	0	466	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	907	1236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	85928	0	0	0	0	0	0	0	0	0	0	121239	40572	0	6375	0	0	1036	1094	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8571428	0.23809524
6	C21 H39 O7 N5	474.29224	474.2931	0.050566923	474.29224	2977	2489	2060	2139	0	8357	0	0	0	0	2838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	82348	0	0	0	0	982	0	0	0	0	0	0	0	0	1307	0	0	0	0	0	0	0	0	2740	3473	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	238904	0	0	0	0	0	0	0	0	0	0	248716	100444	0	21943	2246	0	2867	2815	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8571428	0.23809524
8	C21 H39 O7 N5	474.29224	474.29297	0.0728477	474.29227	4685	4617	1747	3093	0	5444	0	0	0	0	3586	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	74928	0	0	0	0	0	0	0	0	0	0	0	0	0	1611	0	0	0	0	0	0	0	0	4251	3240	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	287315	0	0	0	0	0	0	0	0	0	1104	319464	130177	0	26139	1873	0	4058	3313	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.8571428	0.23809524
10	C31 H39 O3 N1	474.30026	474.301	0.23027498	474.30038	0	1833	2244	1268	0	1127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28860	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1330	1297	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91136	0	0	0	0	0	0	0	0	0	0	293012	141316	0	5895	0	0	1328	1365	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.09677419	1.2580645	0.032258064
26	C24 H43 O8 N1	474.30615	474.30646	-0.11456852	474.3061	0	0	0	0	0	0	28765	0	0	0	0	0	0	4947	0	0	0	0	0	0	0	0	0	0	0	0	18192	6360	0	0	0	0	1967	0	1367	0	2523	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5037	0	0	0	2942	0	2527	4744	2845	0	0	0	0	0	0	0	0	0	0	0	0	24793	0	0	8386	2643	0	0	0	0	0	0	13375	10369	0	3157	0	0	2376	0	0	0	0	0	0	0	12875	0	0	0	0	0	Lipid	0.33333334	1.7916666	0.041666668
24	C24 H43 O8 N1	474.30615	474.30664	-0.0786613	474.3061	1679	2564	3229	3717	1142	1143	78423	0	0	0	1127	0	2698	7634	0	2313	1835	0	2778	0	0	0	0	0	2590	3066	41592	4649	3416	1666	0	2985	1806	2408	0	2713	2384	1529	0	0	1286	0	0	0	0	0	1202	0	1650	0	1806	2030	1810	0	0	1045	691	1056	2701	1368	2123	866	1426	0	6501	12096	30583	1599	0	0	0	0	3116	4278	0	1747	0	1634	0	0	0	0	29827	12478	1473	0	1542	1085	1748	0	13988	8048	1540	1964	0	0	1399	2835	0	0	2184	2866	1070	1534	9290	1631	0	0	0	2595	Lipid	0.33333334	1.7916666	0.041666668
22	C24 H43 O8 N1	474.30615	474.30652	-0.024840519	474.30612	0	0	0	0	0	0	52854	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1532	0	0	0	0	27530	0	0	0	1099	0	1226	0	0	2780	0	1798	1251	0	0	0	0	0	0	0	0	0	1310	0	0	0	1441	317	0	0	0	0	0	0	0	0	0	0	0	3081	2448	0	0	0	0	1569	1237	2673	1486	0	456	0	0	0	0	0	35672	18198	0	1132	0	0	0	0	4147	0	0	0	0	0	0	1334	0	0	1643	0	0	0	2531	0	0	0	0	2006	Lipid	0.33333334	1.7916666	0.041666668
18	C28 H40 O2 N3 Na1	474.3091	474.30966	0.04792424	474.3091	0	0	0	0	0	0	0	9033	0	0	0	0	0	0	0	0	0	0	0	4076	0	0	0	0	0	0	0	0	0	0	0	2672	0	0	0	0	0	0	0	2709	0	0	2556	0	0	4064	0	0	3280	1646	0	2439	0	0	0	1155	2001	3990	57889	9690	0	2174	0	2743	0	0	0	0	0	2601	0	5160	0	1265	2703	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7072	0	0	0	0	0	0	0	0	0	0	0	0	60819	62333	0	0	0	0	0	Lipid	0.071428575	1.4285715	0.10714286
26	C25 H47 O7 N1	474.34253	474.3427	0.11011516	474.3426	0	0	0	0	0	0	43342	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23291	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1548	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4094	0	0	0	0	0	0	0	0	2009	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.28	1.88	0.04
22	C21 H14 O13	475.05072	475.05145	0.13265802	475.05078	3514	3765	4734	5924	18326	6026	0	0	16011	2920	0	0	25044	5868	1583	0	0	18671	11518	0	2156	10519	4921	0	0	0	0	0	0	0	0	0	0	0	2709	0	1763	1988	0	0	0	1432	0	0	477	1826	4332	0	0	0	2984	5543	9609	0	13604	14834	4802	1445	0	0	0	1747	37131	17335	5987	17680	3334	0	0	0	0	0	0	0	0	0	556	0	9819	3747	6687	2187	0	0	25743	11717	7257	2926	3853	0	0	0	0	11581	8139	0	3711	2395	13293	26155	22873	0	1541	0	5053	1575	14631	0	0	24384	Phytochemical	0.61904764	0.6666667	0.0
26	C21 H14 O13	475.05072	475.0512	-0.006993104	475.05072	6593	5984	7021	6126	18297	8208	0	0	18476	0	0	0	38406	9440	0	0	0	28134	19481	0	0	4006	0	0	0	0	0	0	0	0	0	0	0	0	2777	0	1994	0	0	0	0	0	0	0	0	0	0	0	0	0	7197	5798	10034	0	21870	13475	5340	0	0	0	0	0	38562	22676	5003	19473	3936	0	0	0	0	0	0	0	0	0	0	0	7040	0	9051	0	0	0	30090	7026	5503	2659	4383	1649	0	0	0	8049	6591	0	4932	6153	12552	21078	15800	0	0	0	0	0	8199	0	0	38720	Phytochemical	0.61904764	0.6666667	0.0
18	C21 H14 O13	475.05072	475.0514	-0.00822426	475.05072	10376	13554	6332	7512	40114	14376	0	0	33184	0	3566	3272	65274	9706	3374	0	0	37016	19678	0	0	24108	6550	3068	0	0	2260	0	0	0	0	0	0	0	0	0	0	3062	0	0	7432	7078	852	0	0	0	10870	1508	0	0	12542	9720	19984	0	20314	33788	10390	0	0	2248	0	4958	71452	37164	12548	38660	3208	0	0	0	0	0	0	0	0	0	640	0	11724	13936	12786	11068	0	0	56008	12842	5404	8492	6350	0	0	0	0	36031	10782	0	16516	5960	31622	53298	56124	3872	0	0	6570	3746	24070	0	0	60272	Phytochemical	0.61904764	0.6666667	0.0
24	C21 H14 O13	475.05072	475.05142	0.0799539	475.05075	3133	3465	3875	4058	19549	8868	0	0	16816	1585	0	1739	30205	4810	3737	1376	0	23554	20081	0	2477	10230	3821	1115	0	1465	0	0	0	0	0	0	1713	0	2843	0	0	1914	1062	2291	2458	0	0	0	0	0	3956	0	0	0	5157	6347	6831	0	18969	17235	5798	0	0	0	0	1279	31527	16340	2538	20753	2316	0	1620	0	0	0	0	0	0	0	0	0	8651	3312	6315	2348	0	0	28768	9190	4616	2557	2001	0	0	0	0	5382	6473	0	5271	2715	9136	22108	19191	0	1026	0	3288	0	12980	0	1600	33229	Phytochemical	0.61904764	0.6666667	0.0
14	C21 H14 O13	475.05072	475.05136	-0.058890205	475.0507	0	0	0	2320	6705	0	0	0	10940	0	0	0	11615	0	0	0	0	4102	1710	0	0	8225	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4377	0	2815	8780	2224	0	0	0	0	1323	20734	7415	2375	10423	0	0	0	0	0	0	0	0	0	0	0	0	1320	0	1492	2631	0	0	10640	0	2326	1760	1988	0	0	0	0	8470	3502	0	2363	0	8980	17891	14112	0	0	0	0	0	6802	0	0	17053	Phytochemical	0.61904764	0.6666667	0.0
16	C21 H14 O13	475.05072	475.05142	0.059474032	475.05075	2709	3176	2602	3954	16090	0	0	0	14422	1757	0	0	27524	2254	0	0	0	6431	13447	0	1955	10817	1380	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1683	0	0	1620	2030	0	0	0	0	5239	0	0	0	2523	2381	5945	0	12685	15706	3850	0	0	0	0	0	29138	13267	3654	16077	1362	0	0	0	0	0	0	0	0	0	0	0	4002	0	4757	2677	0	0	19059	2141	2266	3120	1359	0	0	0	0	22483	6535	0	4022	0	10652	25515	20444	0	0	0	4430	0	11053	0	0	38209	Phytochemical	0.61904764	0.6666667	0.0
28	C21 H14 O13	475.05072	475.05136	0.10801838	475.05078	7334	5740	6891	7138	18565	8107	1351	0	17414	3029	1200	2192	43047	7862	4253	0	0	27168	23364	0	2342	5762	5283	0	0	0	0	0	0	0	940	0	1976	0	3978	0	2023	3152	0	0	1712	0	0	0	0	2350	4431	2152	0	0	7187	6161	7322	0	22972	15679	4891	1075	1221	0	2043	2539	39447	20711	5719	22282	4768	1114	0	0	1527	0	0	0	0	0	0	1837	9283	4786	11831	1515	0	0	29376	10313	5495	4616	3458	1773	0	0	1885	7409	6511	0	6367	6383	8647	17967	23602	1903	1012	0	2857	1685	15515	0	2208	33838	Phytochemical	0.61904764	0.6666667	0.0
22	C22 H18 O12	475.0871	475.0877	0.02889224	475.08713	13577	18336	12814	17513	39446	23280	4432	0	38874	30463	14007	4358	68710	14091	8494	4231	0	37944	29493	19570	17030	47083	12371	3650	3903	4813	2503	6282	2215	0	1874	0	3015	1147	38169	0	3817	4488	0	12201	8317	3937	0	0	647	26449	34343	0	0	1310	19632	19321	21067	0	49874	41458	16021	3412	3565	4537	2123	12248	74154	40550	10767	49582	8116	1434	6804	10044	9200	0	0	0	0	1542	566	2970	19983	26868	16455	29582	2287	5959	54461	21082	16113	6929	8594	2200	4908	7110	4689	42067	43168	0	18678	15284	30638	43612	46269	3032	0	5620	29309	2574	30825	0	5315	71368	Phytochemical	0.54545456	0.8181818	0.0
26	C22 H18 O12	475.0871	475.08765	0.01445191	475.0871	7693	6867	6706	6512	16731	9121	0	0	20875	17308	2481	0	37391	8968	0	0	0	27370	19742	8368	10249	14595	0	0	0	0	0	0	0	0	0	0	1590	0	16357	0	3181	3594	0	4511	3934	0	0	0	0	6147	10386	0	0	0	7995	5819	10645	0	23197	20059	7117	2272	0	0	0	3030	34114	19819	2607	24955	4452	0	0	2489	7021	0	0	0	0	0	0	0	7470	0	9904	6109	0	0	22068	10573	5917	2763	6047	0	2679	1873	0	17949	20574	0	7899	6156	12322	16676	16745	0	0	0	0	1611	10031	0	3112	42347	Phytochemical	0.54545456	0.8181818	0.0
14	C22 H18 O12	475.0871	475.0878	0.05689363	475.08713	50554	44263	31002	40020	56049	26206	8606	7767	67028	83241	61672	10833	92431	24762	14305	12609	4420	55054	51486	48908	72509	106324	17780	6819	6154	12036	6856	18569	0	3438	5407	0	10681	4342	115819	2141	10442	15683	7719	31331	47925	14397	0	0	0	41769	101583	0	6017	4814	36844	36463	36482	0	56620	49782	25490	11706	8698	9325	0	37873	107394	59246	23413	71890	24638	8383	21292	15625	33731	3954	3753	0	6725	5767	0	8739	36538	58115	28980	53559	4770	14209	75531	30199	24456	21297	21643	16494	7951	13956	15318	111220	79406	0	42301	29259	63228	79921	73285	10925	10924	5077	67898	10403	53753	0	7021	80064	Phytochemical	0.54545456	0.8181818	0.0
28	C22 H18 O12	475.0871	475.08765	0.09078544	475.08716	7372	6929	6257	7138	13320	7464	1293	0	14561	14016	2902	1602	30927	7064	4227	2701	0	22571	19137	6006	9040	12449	5054	0	3611	0	1255	1146	0	0	1575	0	2081	1056	16904	0	2598	2718	1053	3823	3669	0	0	0	0	7483	10613	1368	0	0	6057	7201	7187	0	18297	15055	3861	1265	1021	1827	1977	3527	28587	15120	5094	17004	4529	0	3850	3591	6278	1661	0	0	0	0	0	1105	9007	8454	8846	5220	0	2254	18844	8263	6873	2909	3799	1117	2161	3184	1919	10431	18215	0	7180	5491	11513	15710	13774	0	1607	0	5829	1520	11970	0	1498	29103	Phytochemical	0.54545456	0.8181818	0.0
12	C22 H18 O12	475.0871	475.08783	0.036171585	475.08713	18266	22539	29640	23743	34588	10278	4473	0	37134	52545	37155	7433	42765	9532	5152	4783	3543	31213	26831	28050	36862	50304	14515	8514	0	5196	2666	0	0	1438	2600	3606	4852	3605	66707	2064	4225	8240	4402	16997	34448	8465	437	0	0	24687	77830	0	3902	1638	18756	22737	18017	0	30209	28635	16510	3945	4695	0	0	12913	61498	32212	11627	36274	12358	6613	0	13322	27310	1991	1545	1125	5743	2999	0	4030	18308	34685	16451	29029	1878	4833	39679	16330	13548	9143	5989	11927	4132	4137	9054	64149	36659	0	23954	17672	44290	48517	39291	4510	4940	4181	29480	4709	33281	0	3927	50381	Phytochemical	0.54545456	0.8181818	0.0
24	C22 H18 O12	475.0871	475.08774	0.15891145	475.0872	21360	27712	19446	20742	49976	25302	3132	2754	47198	37576	8644	2924	104054	21422	11730	3968	2582	66458	52690	13270	18564	39638	17976	0	2730	10938	3144	4462	0	0	0	0	2902	3134	42406	2826	2918	9550	3046	10692	12222	3824	0	0	0	29614	31116	0	0	0	18888	17566	25024	0	58114	40780	13320	3062	3010	4356	2432	11682	101814	53386	12544	47906	6886	0	9176	11044	13408	0	0	0	0	0	0	4044	27286	19088	27294	25956	2758	6050	68916	28884	18864	5426	9772	0	6292	0	3604	32418	60984	0	14620	17726	34020	47126	46892	0	3446	4206	21400	3326	35456	0	5876	93934	Phytochemical	0.54545456	0.8181818	0.0
10	C22 H18 O12	475.0871	475.08783	0.034032077	475.08713	7520	6922	7393	5786	14573	2686	956	2309	15818	17744	16405	3340	21958	2524	1192	0	1280	11644	10210	6640	11743	10529	3151	0	0	1467	1598	0	0	1011	0	1248	2889	1628	26892	0	0	3255	2545	5825	14224	3125	0	0	0	6289	24886	0	2001	1485	6264	5419	6509	0	12558	16146	4952	3162	0	0	0	5627	24423	15979	6290	14918	4906	1247	0	4187	10563	1266	0	0	5015	0	0	1235	6636	7529	6850	10007	774	1176	22009	6309	5010	3395	4780	2962	0	0	0	24073	11405	0	8296	4227	16781	17987	20722	1722	2047	0	0	0	17874	0	1056	16116	Phytochemical	0.54545456	0.8181818	0.0
18	C22 H18 O12	475.0871	475.08777	0.017410312	475.0871	47408	48808	50301	51739	90079	49601	8478	6715	77104	94185	37722	9846	166353	40495	18467	13070	4663	102226	93076	56142	68458	106621	31117	15172	7290	10015	8049	17123	4277	3773	8077	4357	11922	0	112701	3867	14231	14645	7380	38992	40770	22737	2025	0	359	67729	86998	960	6983	4076	49160	55419	51428	247	103385	78407	33954	12824	15691	9420	13684	38957	164602	86822	31532	108421	32265	7583	21684	18953	25254	6605	3199	3071	3206	0	299	6986	47397	60830	40095	87488	5356	15867	110655	55226	33350	19575	27011	9026	16758	24195	12652	96135	108268	415	46085	41528	72841	86113	91075	15199	8996	13581	62639	12315	66884	0	9186	131954	Phytochemical	0.54545456	0.8181818	0.0
20	C22 H18 O12	475.0871	475.0877	0.017450579	475.0871	34161	31249	37461	30201	56745	36671	6783	5273	72508	53085	21231	5099	106328	32141	12374	5225	1879	69525	60995	38833	34747	76882	18484	10297	7279	11193	5934	7498	2853	3146	4821	1980	8481	2236	72683	0	13171	11433	3016	27677	19866	10942	2086	0	295	47780	65574	918	2378	3863	28244	28069	35367	350	76977	59517	25770	7477	11088	3221	4613	22981	119011	64640	19209	68834	28388	3692	17375	18578	22359	1596	2120	0	0	2444	804	6375	34169	48174	23110	46377	3747	8096	70043	32970	23131	12565	18289	6252	4632	15841	6732	69954	66003	0	31382	28751	52764	70585	66114	6927	4171	6612	50414	5795	53419	0	5123	116916	Phytochemical	0.54545456	0.8181818	0.0
24	C21 H18 O11 N2	475.09833	475.0988	-0.42089078	475.09814	2090	6326	6130	3494	6472	7206	0	4250	5014	1286	0	12026	9384	2852	4786	0	2766	10954	0	0	4630	12842	19118	7138	0	0	2534	0	0	2414	6776	0	21766	0	6970	5356	16366	3172	2440	6738	7770	5374	0	0	0	8464	13554	0	6740	0	6034	3170	9216	0	4574	5638	2034	6144	0	0	5244	3488	13448	13446	0	10262	4522	0	0	0	0	1912	0	0	0	2954	0	21884	0	9210	4258	5802	0	0	4470	0	2050	7698	8532	0	0	0	7184	15498	16112	0	4422	4296	3440	0	0	12282	9574	0	11222	4100	4518	0	0	15790	Phytochemical	0.52380955	0.85714287	0.0952381
28	C21 H18 O11 N2	475.09833	475.0987	-0.3507237	475.09818	2423	1933	1705	2004	1598	1273	0	0	2032	3472	966	0	3203	0	0	4371	0	2092	0	0	0	4772	0	2820	0	0	0	0	0	0	1370	0	1264	0	2957	0	804	0	0	2175	2849	0	0	0	0	4026	6629	0	0	0	2165	2021	1807	0	2355	0	0	2923	0	0	6687	2533	2849	2785	0	831	1335	0	0	1729	0	0	0	0	0	0	0	1803	749	4168	1223	3384	0	0	0	0	1409	0	1021	55925	0	0	9535	5127	7197	0	1756	0	0	0	0	0	0	0	3339	3953	0	0	0	4215	Phytochemical	0.52380955	0.85714287	0.0952381
12	C21 H18 O11 N2	475.09833	475.09915	0.071201615	475.09836	6508	7313	6872	6421	12266	133914	0	0	17038	14997	8529	1954	21074	2307	1225	0	2636	11526	12715	8548	21855	35305	1999	0	0	0	0	0	0	1253	0	1472	4035	0	28604	0	0	2623	2890	14686	26791	2748	0	0	0	15300	53189	0	0	0	5649	8092	4447	0	12849	12399	3381	0	0	0	0	16066	33138	15248	3002	14793	1918	0	0	5599	9668	1467	0	0	3002	0	0	0	4432	0	3110	19437	829	3187	14210	3286	5587	3654	2917	5629	0	7909	6549	31590	17581	0	5400	5744	13347	13988	16620	2969	0	0	30745	3026	9440	0	1092	22846	Phytochemical	0.52380955	0.85714287	0.0952381
10	C21 H18 O11 N2	475.09833	475.09918	0.09623578	475.0984	4112	3215	2992	3538	7772	1812	0	1621	8068	10885	9279	1019	17207	0	1291	0	0	4861	5626	3859	12165	10973	2401	0	0	0	877	0	0	0	0	0	2431	0	18356	0	1128	0	2108	4223	16386	1135	0	0	0	12083	20934	0	0	0	3925	4422	4331	0	13857	5934	2148	0	0	0	0	4958	17465	9392	3366	6390	2022	1720	0	0	7895	0	0	0	2105	0	0	0	1799	0	926	8049	0	1512	8568	2171	1287	2285	1984	2983	0	0	2365	13616	11654	0	3733	4029	7379	11007	8432	1671	0	0	0	0	3844	0	783	16730	Phytochemical	0.52380955	0.85714287	0.0952381
16	C21 H18 O11 N2	475.09833	475.09903	0.040578876	475.09836	9513	6250	7104	9578	17168	4016	0	0	13151	20100	9550	1976	22518	3191	2778	5279	2800	17977	10077	9250	25598	26843	3273	3059	1967	2131	1410	0	0	0	1595	0	4173	0	30767	0	2801	2531	3357	19079	26126	4329	272	0	0	27899	52583	0	2564	1678	10954	7780	6428	0	17887	12048	4210	0	3663	0	0	18944	29747	15670	4574	18700	3762	3745	5428	4155	5040	1800	0	0	2314	1400	0	1593	6477	18534	4458	29283	1677	5934	15943	3553	6214	4257	3948	0	0	4194	0	39445	35145	0	8589	5751	8683	16415	14092	3945	2742	0	24765	0	8228	0	1471	25800	Phytochemical	0.52380955	0.85714287	0.0952381
14	C21 H18 O11 N2	475.09833	475.09903	0.071467504	475.09836	11309	9889	6399	10678	12493	6411	0	2511	18371	29269	15084	2625	27378	3064	0	0	1727	9908	16097	16297	29844	39587	4942	2842	0	2330	2629	0	0	1593	2272	0	3466	1315	39274	0	4211	2022	2782	20939	28827	4006	0	0	0	26368	65789	0	2621	0	8859	6189	9955	0	20100	13413	4204	2667	0	0	0	22498	39422	19012	4735	17101	3715	2892	0	5658	10034	1472	0	0	1823	0	0	999	6818	17292	7303	28714	1359	4852	16968	10212	8039	3691	6239	5481	3585	4287	5735	41946	36095	0	7344	11655	8596	16497	14419	0	2490	3127	18524	5363	11056	0	2474	27263	Phytochemical	0.52380955	0.85714287	0.0952381
20	C21 H18 O11 N2	475.09833	475.09897	0.039384037	475.09836	2131	4740	3583	1810	5081	5834	2053	0	3163	7876	3457	2245	13809	2886	1898	0	0	6452	7002	2738	5511	20898	3542	0	0	0	0	0	0	0	0	1666	4882	0	4726	0	3051	1440	0	6906	7491	2391	0	0	0	14086	29994	0	0	0	4284	3133	4112	0	5857	5656	2286	2207	2136	885	0	8822	11251	7796	2226	8200	1659	0	1863	3580	2329	0	0	0	0	0	0	2724	3553	10996	1989	8638	0	0	6543	2374	1599	2687	3844	3028	0	0	2511	19191	17092	0	2206	3552	4178	5878	8032	1830	1087	1264	15847	0	4045	0	0	10081	Phytochemical	0.52380955	0.85714287	0.0952381
14	C13 H27 O13 N2 S1 Na1	475.12042	475.1204	-0.24451394	475.1203	7245	4070	0	6474	1940	2625	0	0	10918	16349	5928	0	10218	5034	0	0	6153	7752	15000	6660	17080	0	7095	0	0	0	0	0	0	0	0	0	2100	0	2648	0	0	0	2750	12592	23151	4029	0	0	0	12837	0	0	0	0	0	6693	2253	0	5052	7944	2471	0	0	0	0	19197	4684	0	4096	11627	1841	2380	0	12351	7107	0	4041	0	6894	2819	0	6015	6597	0	1919	2390	0	6030	7254	0	8754	0	8402	0	8301	8688	14646	16563	20997	0	0	6609	1573	5462	1543	0	2065	0	0	6090	5487	0	0	10516	Organosulfur	1.0	2.0769231	0.15384616
28	C23 H22 O11	475.12347	475.124	-0.013051674	475.12347	7827	7081	8331	7704	11743	6175	2637	0	12243	20711	6740	1882	30506	5327	2501	3124	0	15276	13731	14621	13346	11176	5849	4513	3159	8259	1114	3303	0	0	1746	993	3061	1242	23074	0	2895	2659	2610	8024	4440	3387	0	0	0	10168	12756	0	2148	0	8742	7633	8264	0	15993	9080	5107	3438	1877	1772	3312	6538	20811	12521	3865	14266	4258	1150	6616	16089	16718	1560	0	0	0	0	0	2570	6500	6194	7162	7791	1999	5201	14753	7380	5026	3014	4144	1357	2663	4935	2170	10879	21345	0	6765	7490	8431	11522	12168	2939	2872	0	8783	2244	9169	0	2494	16797	Phytochemical	0.47826087	0.95652175	0.0
20	C23 H22 O11	475.12347	475.12405	-0.00386822	475.12347	91666	93546	89927	74352	115011	83535	29819	29509	133087	282705	109648	25025	205827	68488	46464	31439	14335	160474	120198	164944	175819	159949	51728	40328	35923	103378	27457	68845	31027	18656	27729	30176	42746	25278	322765	24242	48093	32882	20175	123299	68420	35637	3288	0	0	190557	169547	825	30961	18609	86683	99939	80088	0	147896	107623	50899	38305	37692	17729	31080	83759	193307	99593	47923	129511	58915	22355	101692	138665	125196	25165	23905	16331	18465	24935	448	28959	72396	94859	58626	141774	26949	95770	120938	73195	63300	36072	45756	20101	52433	74330	54480	128206	163867	802	95330	85263	110892	108938	114976	34527	20939	38417	134553	32353	96149	695	27474	209412	Phytochemical	0.47826087	0.95652175	0.0
22	C23 H22 O11	475.12347	475.1241	0.027887462	475.1235	83750	101914	94226	84144	122420	84456	23533	39121	158510	271830	75918	16853	201434	70166	45648	30432	12908	168322	123238	172753	152792	170213	59454	41404	42075	109062	19254	60410	24056	12024	22605	14700	31979	17040	273735	10674	43211	36203	14302	96906	84562	33260	8470	0	702	172749	205222	0	23864	24538	92259	86014	81413	1638	172646	115284	50580	31539	44287	17568	19662	82336	218620	131192	42354	142988	59273	13098	95559	172478	133802	18060	23403	14433	11052	14418	1176	16684	81813	86129	63712	136968	24740	67930	160852	80312	61804	33664	38489	22236	42486	62120	41148	147692	169556	0	79554	87425	117132	140080	121082	21248	30901	34691	155864	24509	111312	0	30128	235031	Phytochemical	0.47826087	0.95652175	0.0
18	C23 H22 O11	475.12347	475.12408	-0.011716217	475.12347	154740	165556	139154	145867	167430	102145	37625	49378	177872	446038	190899	34589	274611	81904	64962	60368	26142	196168	240540	306816	251700	285078	85940	60937	54991	159404	32628	123509	47003	35889	50016	45102	69846	34014	540326	35785	70371	56194	36090	224754	146218	62220	3662	472	408	283193	259443	623	54358	35041	144664	149522	113165	536	211630	139033	70407	69879	71666	32627	54980	150445	273767	152838	62586	190682	80807	51691	138713	204809	224238	52411	41197	37968	29355	42153	541	42435	108030	152764	78510	233471	45918	137147	153565	103711	99291	61020	72119	36837	74404	115807	79847	203587	307387	845	152421	131226	155477	145004	133902	62233	36588	67674	170769	56347	131415	518	46048	241348	Phytochemical	0.47826087	0.95652175	0.0
26	C23 H22 O11	475.12347	475.12405	-0.003612871	475.12347	12072	10354	10770	11403	19296	10208	0	0	20861	43096	6853	0	32228	8108	6770	0	0	26284	17516	21072	22598	22199	5302	0	0	13575	2235	7446	0	0	0	0	3125	0	37730	0	3309	0	2323	13259	7324	0	0	0	0	13229	20477	0	0	0	11653	10766	10275	0	27655	16216	7455	3042	0	0	0	8262	37338	18760	6302	22151	5141	0	13373	24638	23855	0	0	0	0	0	0	0	11697	8863	9022	16555	2213	6192	21735	11443	4471	3104	3850	2346	3978	6457	0	18626	26516	0	7650	11684	14830	22947	18863	0	2936	0	9279	1668	17031	0	0	39990	Phytochemical	0.47826087	0.95652175	0.0
24	C23 H22 O11	475.12347	475.1241	0.098631926	475.12354	19237	20235	16355	19616	32336	19128	3693	3862	40407	64892	19476	4803	64906	17095	6127	4164	2493	39474	38273	27865	37587	40017	11431	5564	7528	19046	2951	13596	3732	1634	3488	2825	6202	3420	72127	2364	5671	5754	2190	23430	17878	3670	0	0	0	38920	39106	0	3068	2435	18621	17496	21123	0	43105	26895	12822	4881	7311	3958	4250	17195	54685	29618	12581	40344	10148	2106	17659	41574	42407	2103	2185	3113	2791	2129	0	4513	18889	23196	18106	27485	3202	14789	48520	20638	16373	8026	7568	0	9683	10231	4540	34999	54541	0	20560	18147	21470	32867	31240	2748	5201	7076	24975	5854	28809	0	5149	62560	Phytochemical	0.47826087	0.95652175	0.0
16	C23 H22 O11	475.12347	475.12415	0.026128987	475.1235	132783	133635	124583	130996	142915	92002	45144	57738	169197	418956	194397	38759	205142	73763	67174	55101	29968	181251	157329	257767	267549	249922	68805	64769	51439	145615	41526	114921	46414	42442	57380	62150	74655	47162	523006	40545	70305	60628	39485	174623	136569	47693	4078	0	0	521726	528570	487	52381	51444	124840	129630	95314	465	161678	117073	65762	73358	78013	47350	65676	127645	238235	134985	59041	155817	79768	35925	154164	201391	222074	56364	50892	44568	23738	51373	572	48378	112304	160604	80125	236919	51344	122328	141188	83118	89740	55641	68638	80451	84864	82475	88736	400616	263307	751	148159	123130	145253	121784	121529	53622	41130	66629	182896	61635	119973	0	57275	209980	Phytochemical	0.47826087	0.95652175	0.0
8	C23 H22 O11	475.12347	475.12427	0.031287022	475.1235	6319	8414	4541	6641	5362	2578	1862	2853	6954	18499	10770	5248	5996	2211	3261	5362	4355	5784	6791	9706	15818	10688	3584	5252	0	6876	2326	4682	1083	2144	2163	3741	3621	3701	21443	1590	2349	3795	5290	7939	11348	2848	0	0	0	6998	21075	0	3192	3610	9792	9049	4553	0	7249	5172	3850	3869	2438	3980	0	4647	8207	6145	2202	5105	3154	4498	9409	10157	19692	3949	2975	1774	3713	3214	0	2722	8202	3400	4169	5671	1574	3531	8315	0	5093	1993	3654	6574	0	0	3030	8309	9713	0	7538	7485	7762	8977	6991	4063	2942	4317	0	4004	6674	0	2549	4920	Phytochemical	0.47826087	0.95652175	0.0
20	C22 H22 O10 N2	475.13474	475.1353	-0.001485123	475.13474	11683	11039	10405	12620	20745	6873	6169	5156	17092	40536	13432	3582	19654	5618	5891	10353	6021	15223	15086	18449	28800	31660	9180	9704	7077	5164	3351	7085	3535	3374	4606	6184	8870	3836	39378	4230	8243	7317	6627	24652	19883	6069	0	0	0	33495	32724	0	6095	4316	12175	11833	7929	0	17978	12896	5187	8980	7790	2421	5500	23660	19505	14685	4804	16592	4834	2961	11190	17472	12924	5516	3977	3260	4394	3986	0	3895	7740	19575	12052	26624	3584	14696	16005	10591	8683	7646	8039	6861	6834	13938	18459	27215	27890	0	9457	13304	9160	12649	12353	9486	5473	4836	29583	10581	9894	0	7508	21897	Phytochemical	0.45454547	1.0	0.09090909
18	C22 H22 O10 N2	475.13474	475.13535	-0.021970736	475.1347	29649	28162	25819	24784	23541	14158	12817	15431	30696	71234	29594	13435	46622	8773	9260	17173	8917	32682	36657	43670	60171	71398	13803	18021	14238	15422	10350	18960	10730	9802	9583	7798	19466	10231	83875	9929	19467	15257	13320	64972	52337	13367	921	0	0	69908	64504	0	18344	8987	29367	27619	19128	0	44613	20571	13548	21084	12707	9712	12134	49521	55008	31284	9674	31539	18812	14784	17086	32893	29691	12615	6439	6247	9251	7867	0	8808	16036	38887	17889	48953	15707	33832	26326	16075	27936	17824	18163	17119	25796	32130	29691	51815	70426	0	31460	24979	18980	24218	17156	16402	8323	15177	45653	19499	20790	0	16419	44332	Phytochemical	0.45454547	1.0	0.09090909
6	C22 H22 O10 N2	475.13474	475.13556	0.003527764	475.13474	5409	5727	6196	5253	6399	1761	1190	2872	7295	18458	9638	2577	10716	2556	1595	2325	2429	7312	5999	8155	18183	14323	3056	5086	671	2959	1430	4090	1510	2843	2488	2269	2910	1567	20320	1292	3279	2105	2766	9641	13907	1820	0	0	0	8041	22330	0	2319	2233	5036	4885	3298	0	9316	6512	1877	0	1784	3425	3901	5715	11930	9434	2037	6818	2716	5066	9135	5620	10471	1662	1249	1434	0	2013	0	1415	3151	2823	3151	6862	1881	2771	7307	2564	4075	3347	3893	5228	0	3283	6805	12650	8924	0	4728	6376	4338	8835	6432	2533	1761	3639	0	3063	3112	0	2005	10939	Phytochemical	0.45454547	1.0	0.09090909
8	C22 H22 O10 N2	475.13474	475.1355	-0.016693437	475.1347	16800	17732	14179	16037	13112	8086	5186	7384	19487	47611	25422	5288	26201	4171	5356	9823	9458	16177	14540	29949	46735	40859	6453	10111	3340	8433	3713	12458	5445	5241	5666	6284	10305	6829	56656	5729	11513	5818	11476	34186	46580	5875	0	0	0	32648	60853	0	6578	6264	17000	18643	10774	0	24030	16155	7409	6899	11498	12994	11976	19763	34608	16320	6968	18943	7165	9450	19653	18431	39201	6078	5187	5883	6056	5556	0	6394	10690	17446	8750	23622	5552	15489	16790	5291	10776	8066	7437	13278	0	9660	16299	29327	38339	0	17269	15016	15571	16885	17546	9825	6500	11614	22168	9797	11533	0	6443	24103	Phytochemical	0.45454547	1.0	0.09090909
10	C18 H26 O9 N4 S1	475.14932	475.15015	0.04497377	475.14935	35484	37830	29802	51762	25698	21060	29844	0	43608	30145	0	35209	50328	0	37410	37368	49940	38838	49734	36348	38382	49674	41286	55687	22908	24480	24996	0	37392	23568	32928	28194	64944	33639	44112	34177	62625	28884	56347	6686	41382	24288	0	0	0	8241	0	0	63265	50886	30408	40500	28050	0	73770	23562	22554	63593	28092	0	0	0	55890	51198	13656	38909	26064	55450	0	25344	5779	38220	32604	35442	83499	1958	0	28344	28032	0	22740	22860	21438	23256	27576	17370	34714	36879	29016	53132	23388	29946	86917	24558	30570	0	40503	31488	12972	27240	19200	43697	32609	0	0	41041	18012	0	41718	66132	Peptide	0.5	1.4444444	0.22222222
8	C24 H26 O10	475.15988	475.1607	0.044801276	475.15988	6133	9022	5323	6443	4027	3101	4386	6805	2621	11378	6357	3333	3468	0	5183	4727	5945	2833	3459	7969	20366	6565	4991	6719	2778	6634	3882	3993	4308	5677	5002	6311	4150	4372	11522	5969	4098	3734	8759	4574	21248	1446	0	0	0	10826	11925	0	6129	7627	6092	5338	2081	0	4479	3867	3178	6130	5229	9979	7469	1739	2711	2760	2142	1296	2112	8687	8128	9035	9965	3958	4035	5397	3945	5267	0	4684	8022	0	3884	5743	5053	6065	3883	0	5810	2125	3068	8864	0	0	4577	7170	0	0	5641	7773	4527	3249	3219	7274	4354	6154	0	4429	2766	0	5535	3781	Phytochemical	0.41666666	1.0833334	0.0
12	C24 H26 O10	475.15988	475.16058	-0.001977375	475.15988	86434	92367	85446	78029	36908	28303	58882	69631	50514	288632	107589	44092	37703	22957	42511	61320	53013	45188	60135	306652	236880	91122	50623	91055	32215	193458	56502	76123	52024	58375	56945	61991	62811	43450	306308	54340	54464	51472	63326	102824	145006	30595	1387	0	0	197636	137343	0	58864	62086	91621	87588	31738	0	51727	34358	29497	59176	54722	68679	45250	61912	57210	47155	27681	45370	30906	61509	107526	256928	297982	51382	58409	66484	53046	56252	0	45053	66837	50240	63433	152030	51709	66196	48206	30607	61517	27506	34361	80855	53918	56609	61596	69125	152218	0	78612	73661	60506	45205	42825	64337	43215	85561	73969	52751	44975	0	45891	53366	Phytochemical	0.41666666	1.0833334	0.0
26	C24 H26 O10	475.15988	475.16043	-0.02853706	475.15985	21801	22324	24586	19091	32299	17555	2368	7627	37446	64074	20541	6369	59217	14471	14223	11569	0	40687	31935	52479	49650	27934	15444	14280	7772	36173	3924	19555	5233	5721	9073	6103	9583	11224	73657	0	14422	8037	6110	31193	20224	5859	0	0	0	24463	38814	0	8807	0	22666	20999	20270	0	36104	31952	11714	13151	10928	6835	7780	20142	54130	29603	9316	31316	12005	4626	33575	68506	56760	8618	6158	0	0	4213	0	6308	21150	14161	18512	14027	5755	17202	37019	20847	13258	8184	9182	6290	9916	9900	17683	20031	39203	0	23002	22080	22780	32987	38999	9333	6368	8006	18181	10123	23675	0	6446	41521	Phytochemical	0.41666666	1.0833334	0.0
28	C24 H26 O10	475.15988	475.16046	-0.03412248	475.15985	10562	14137	8576	9930	16905	8533	3016	4660	12766	34164	11037	3167	35306	7650	5264	7406	3181	16805	20422	23632	22492	12903	8447	7743	5949	22563	2359	10921	4093	3707	3717	3734	4233	4711	34746	3214	5640	5452	3232	13798	12294	4735	0	0	0	11929	14954	0	5577	2533	9048	11237	9953	0	18673	14259	5446	5242	3864	2350	6004	8025	27067	11550	4038	20429	7156	2103	24415	37682	31273	5145	2221	2876	4487	3191	0	2842	13196	10323	8458	7190	4201	10563	18961	6865	9959	3074	4495	3447	6621	8070	8621	11449	16882	0	9628	10594	10375	15407	15884	3399	3606	5753	8939	3945	10896	0	3700	24541	Phytochemical	0.41666666	1.0833334	0.0
22	C24 H26 O10	475.15988	475.16046	-2.04359E-4	475.15988	127845	130737	109699	126433	150107	108662	35823	71558	178071	377775	147910	45949	208380	89921	70157	72106	36148	193991	143636	285022	245107	149873	90753	88029	71178	222210	39437	118263	61874	47581	67419	66265	76874	59049	399641	54704	96171	61018	37198	174800	110946	55181	4850	0	621	195622	160528	0	67422	67309	124451	127151	99631	790	183345	128359	68143	74354	64257	38534	74224	124918	224587	141473	57017	159544	78258	40217	185601	342135	268357	66113	53172	47064	33493	61080	1443	57674	109575	75156	89914	139130	50228	119074	160551	78126	94554	53340	65023	55439	93190	93796	90438	104899	175393	0	126896	122168	118992	140249	118008	66009	49574	70225	126066	68067	110744	0	55231	233967	Phytochemical	0.41666666	1.0833334	0.0
14	C24 H26 O10	475.15988	475.16055	-0.002182981	475.15988	186061	188799	175348	165521	116250	87212	116759	140284	130592	749306	243709	103206	137533	68580	110796	159088	116250	125129	136901	610218	606466	229640	124904	154015	86102	266791	91489	212794	110840	124217	118454	172938	130121	108809	850544	135120	128304	112344	115517	432096	243459	69875	0	0	0	424052	287676	433	140114	126127	181943	167581	84194	715	137113	91166	74069	158502	152976	126365	183079	313226	151895	112392	65482	123483	83380	119987	260945	645850	726930	126848	129484	136505	105854	131065	0	98481	156638	145400	130333	180711	111958	344838	134193	86732	135362	84785	93949	160216	118204	118969	147681	147002	356072	777	175923	149958	121116	111149	104182	121218	94111	167518	224441	120952	100543	0	108446	142969	Phytochemical	0.41666666	1.0833334	0.0
10	C24 H26 O10	475.15988	475.1606	-0.011997113	475.15988	19535	29680	20217	25743	17506	8996	13484	29105	15177	80662	22547	18794	11936	8123	15807	25205	18687	11902	17790	73472	56330	24196	18546	26893	10946	32469	17274	19025	17328	21615	17891	20339	17435	16765	46249	21002	22426	17119	22685	28068	35653	8423	0	0	0	26068	37833	0	20161	24420	24652	25347	10157	0	16351	13613	10230	24857	16840	24990	19479	19648	12117	11032	9009	12859	8970	24324	32487	38654	95148	18847	18790	18551	20398	17379	0	16242	24567	13892	22379	23262	17726	23860	14935	8812	18435	7062	12248	25906	14258	13829	18992	19738	58056	0	23258	23838	15429	16026	13844	18869	13627	24182	26769	13120	13381	0	15145	14507	Phytochemical	0.41666666	1.0833334	0.0
18	C24 H26 O10	475.15988	475.1605	-0.003144162	475.15988	343284	339315	319643	307065	293881	206018	149946	247809	297638	963587	425811	136789	422295	171368	196334	208066	130433	336977	359311	720794	660109	403515	221201	240824	163461	580730	136979	346116	229970	179854	206670	219991	264270	205805	996770	192379	245233	192745	151237	1029690	332529	148846	7371	881	877	482210	395054	1153	230785	194061	342912	327618	200444	1237	370663	230068	154644	236051	205681	134695	233810	678796	426393	264299	134067	323647	193532	159857	449193	796569	692156	231499	173053	195726	128405	210830	303	159233	274585	211270	226349	368722	168857	330963	292890	182911	237846	144499	166292	163215	252075	259287	286829	258263	398104	1638	332583	278434	278810	249476	221624	201890	147361	240362	292021	200733	217368	1223	162752	395597	Phytochemical	0.41666666	1.0833334	0.0
8	C23 H26 O9 N2	475.1711	475.17188	-0.048248567	475.17108	37755	39713	27496	32962	15671	13518	15990	25139	23348	86558	41174	17688	32272	9787	17327	26671	21207	22144	30095	76476	85269	66165	21462	30853	14336	25157	14591	29507	19923	19235	19395	26923	28682	21284	98883	19188	26543	15387	27046	67034	58827	14306	0	0	0	50819	62225	0	34023	22091	33431	36986	15077	0	30304	19114	12301	29066	16593	22436	24812	43156	34502	22629	9654	25202	17909	28544	26629	43140	55351	22113	17581	16726	15000	19002	0	16053	24464	38565	21177	27674	18494	38865	17629	9208	24960	15971	19455	34906	27769	30729	42708	51656	69708	0	35427	35450	18000	24760	21579	22936	14579	32763	30363	23712	17263	0	17280	28273	Phytochemical	0.39130434	1.1304348	0.08695652
10	C23 H26 O9 N2	475.1711	475.1718	-0.057359006	475.17108	58097	52009	54420	46030	34261	26319	27668	46463	35429	127059	60899	27924	48231	19097	37741	45359	32752	40969	47527	113875	117836	109559	34983	52475	29957	53620	29820	50663	36610	38600	40128	45326	52551	39434	148406	34449	55499	33653	50036	111002	87424	27458	592	0	0	86686	74793	0	45058	39405	56350	58362	29083	0	43069	27455	16066	52276	30803	36878	58444	66192	45692	40187	14494	45554	30075	43962	59626	87868	81586	46072	29924	40814	26966	36763	0	27634	43421	49567	31483	49542	34502	57597	29156	20482	43716	27210	28656	65750	52155	62601	70484	68340	95034	0	55261	62537	27843	33907	35088	50653	23386	56857	56410	44153	27229	0	32657	42810	Phytochemical	0.39130434	1.1304348	0.08695652
22	C23 H26 O9 N2	475.1711	475.17172	0.10919738	475.17117	7370	7564	5196	6179	6419	5187	4088	6048	8948	25190	5840	0	8694	0	5211	2776	3641	7652	6762	14483	12729	10055	6472	9588	4881	4652	3387	3349	6091	3184	6875	4886	9279	5833	17079	2967	11320	5297	7137	13605	7049	5000	0	0	0	11579	8341	0	6614	3116	4817	5275	3472	0	6792	4979	5739	10728	6415	2987	6992	9098	5984	6025	2207	6232	7107	3302	4029	5740	3786	5835	0	2349	2365	2846	0	6363	5015	3315	6314	8735	4110	5802	4152	4043	6196	5668	7411	7540	8491	15713	11568	5873	11173	0	7447	6510	4064	5864	5622	9408	3512	6910	8036	4807	4018	0	7445	7970	Phytochemical	0.39130434	1.1304348	0.08695652
18	C23 H26 O9 N2	475.1711	475.17172	-0.054900765	475.17108	47516	55996	48807	47230	42906	32160	31038	46222	33717	98811	54535	21519	59015	25005	34305	43241	32064	50905	65962	92508	75324	81468	43274	53674	46540	35276	30848	47768	42556	29651	45543	42284	59429	39716	127893	32488	65799	32904	34180	94736	61085	27015	1121	0	0	74342	50447	0	42938	35807	59417	54185	32108	217	50829	32094	28315	50327	44276	26148	51737	60254	55252	39900	18940	49784	33749	37561	24728	63938	41244	34790	24428	28085	28833	29953	0	28118	56312	37628	33230	42595	35872	55178	30997	28836	48449	35331	35791	49306	72741	77144	97118	57378	87503	0	47948	44430	27184	34310	30665	57187	26905	56344	37863	48690	27850	0	40284	59187	Phytochemical	0.39130434	1.1304348	0.08695652
6	C23 H26 O9 N2	475.1711	475.17194	-0.011331702	475.1711	15420	12349	12496	15497	8593	6293	7110	10600	9913	33791	18575	6713	13763	3727	7644	11725	12723	11766	16852	30224	38157	28921	9153	15690	4293	9986	5781	15308	10729	7185	8262	9825	17169	7614	42747	8090	11932	7185	13975	21644	30906	5987	0	0	0	19221	28124	0	16692	10060	14255	12288	7303	0	14939	9073	5325	14096	7270	11518	12547	17936	15014	12059	4047	12717	7642	17107	14993	22509	24892	7707	8449	6773	6367	7058	0	6731	9926	12648	7035	13828	8053	13899	8320	7106	11602	7459	6896	21828	9008	16562	17345	21160	28163	0	15483	10592	6331	9450	13511	10761	6219	14008	22639	12013	7873	0	8608	12741	Phytochemical	0.39130434	1.1304348	0.08695652
26	C28 H26 O7	475.17514	475.17557	-0.054372154	475.1751	3183	0	3085	2972	3887	0	0	0	4855	3760	12142	0	0	2223	0	0	0	0	0	0	6884	3709	0	0	0	32852	0	8527	0	0	0	0	0	0	8022	0	0	0	0	6597	9768	0	0	0	0	0	8216	0	0	0	2787	2119	0	0	0	0	0	1877	0	0	0	0	3244	3188	0	3399	0	0	32796	22021	38196	0	0	0	0	0	0	0	2848	5935	0	4805	0	9581	0	0	2353	0	2792	1971	0	0	0	5259	0	0	2227	0	3290	6461	5860	0	2618	0	0	0	0	0	0	3219	Phytochemical	0.25	0.9285714	0.0
24	C28 H26 O7	475.17514	475.17566	-0.07915021	475.17508	9054	7967	8242	8210	10317	3147	2721	2280	10966	22226	32081	2679	9734	6335	2440	4761	3425	5273	10079	19253	19615	8898	5686	4552	4159	76335	0	21104	4137	3033	1784	2639	2234	3629	19703	2482	1709	3056	2475	16138	21366	3161	0	0	0	10435	14686	0	3536	3007	7366	10168	5623	0	4527	5406	4315	3196	3987	4323	2878	9878	9392	5349	5774	9614	9784	4071	72027	49130	84006	2968	3157	0	2067	2351	0	2721	6562	8083	7427	8265	2367	16118	15673	4403	4565	4372	5538	5736	2065	3465	5689	14036	6198	0	7040	7729	8321	10651	14400	2265	1508	6497	8907	4242	9174	0	3132	3637	Phytochemical	0.25	0.9285714	0.0
22	C28 H26 O7	475.17514	475.1757	-0.05047695	475.1751	8524	9918	9538	8484	11285	3162	2645	4483	13445	14310	29543	0	6556	6337	3362	3201	4815	6211	6655	23571	20895	5539	4935	5653	2733	86239	3287	29321	3068	1569	2799	0	3484	0	21433	1863	4063	4116	6055	21030	22844	5468	0	0	0	10826	10871	0	2179	4086	7928	8058	4930	0	5329	7753	5180	5412	4694	5828	6794	16633	7716	6940	5457	5592	6988	4925	72793	57918	87089	4101	0	1192	5791	3962	0	3726	10374	9040	8850	8974	4736	17440	13126	4274	9031	6150	3499	5805	0	5483	3357	17088	15867	0	8551	7474	12873	8633	11088	3434	2269	5288	4827	3695	7910	0	5553	9791	Phytochemical	0.25	0.9285714	0.0
22	C25 H30 O7 S1	475.1785	475.17902	0.3617749	475.17868	40189	40766	30882	42800	46851	34613	8298	12242	36156	151914	111687	5624	44874	10558	25097	31392	13246	27060	55085	162853	180338	82310	25515	31154	57974	382745	5448	125543	23095	21026	21663	9648	47167	38467	169351	19436	35193	17843	21268	237977	132923	17154	0	0	0	60846	122600	0	21312	11555	51239	74928	48983	0	50256	15782	14760	31972	26558	65188	30133	94345	35894	27307	10784	43931	26474	32028	356556	453325	456347	31359	37878	14881	22949	10488	0	6328	37055	46510	17663	94190	68928	100273	32822	13632	42308	71854	48789	76720	173632	83042	64001	87446	112856	0	38842	43534	31862	39856	28922	33970	5546	88728	61360	24270	26254	0	23320	60191	Organosulfur	0.28	1.2	0.0
6	C22 H26 O8 N4	475.18234	475.18307	-0.117453106	475.18228	6868	9091	6697	5257	3325	2575	6120	8117	3235	6278	4761	5897	3556	1795	8142	10615	5677	4353	4366	5525	6004	14074	6899	10419	5146	902	5360	0	7236	6297	5777	10130	11581	7950	8883	7528	10708	5420	8517	5430	10379	1971	0	0	0	6183	6522	0	10055	7161	6209	7384	3244	0	4016	2430	2211	8348	6358	7714	9372	4578	3990	0	2032	4049	4406	9875	0	3194	0	7050	5012	6047	0	5187	0	5337	7309	0	5357	4228	5384	3547	1960	3307	9207	5667	3892	17672	9924	13778	21163	4793	5180	0	5748	6405	2275	2008	3072	9831	4914	14057	0	10428	1498	0	5876	6155	Peptide	0.36363637	1.1818181	0.18181819
20	C25 H30 O9	475.19626	475.19687	0.012806899	475.19626	674595	670368	650537	577297	554792	433721	302086	568355	629907	1492248	756804	326163	692304	369333	480038	514480	307029	625926	718242	1436388	1348948	654715	516764	609814	423353	1328534	280203	700042	502796	442744	465004	483078	567463	458119	1670568	435337	610636	410028	347350	922980	609614	326882	15121	2964	846	721700	486022	2154	525730	449655	663357	679271	458259	2693	649196	477645	306955	572055	489147	282620	521616	573924	734145	565779	262360	565125	370148	355858	1068926	1931128	1605821	536274	471748	482969	354063	505153	1145	408867	612322	337589	506818	396379	393949	650382	542930	348196	508287	330335	369915	392622	542973	604457	681357	383700	538620	4053	670614	627950	496939	470918	449160	515096	370207	588877	435775	507292	436470	3297	400058	821185	Phytochemical	0.36	1.2	0.0
22	C25 H30 O9	475.19626	475.19687	0.026993157	475.19626	411606	390579	355213	375869	362366	296996	158625	337194	442453	1012621	444880	182410	469598	252325	283967	291225	161978	497385	443394	908758	819920	432492	309931	357021	283260	733469	147045	407612	297256	241942	295818	310369	329290	282041	1128089	280959	373184	241258	175421	542536	337851	197136	9760	0	1822	440236	300458	0	288093	269222	396071	386451	284824	2066	467230	340515	198744	311611	298529	130028	317201	347635	510842	373721	161206	399740	248636	184216	616228	1295500	927752	311116	250861	251928	145767	270937	941	236379	353709	180727	311601	262755	217155	320447	382747	221752	326046	192748	238208	214407	342711	385430	391563	255343	380096	0	365466	376678	313983	326753	289291	285789	208746	337805	271234	289705	292486	0	226918	573881	Phytochemical	0.36	1.2	0.0
28	C25 H30 O9	475.19626	475.19684	-0.058798883	475.19623	21578	19596	14723	19768	25816	15066	8241	17313	18849	47112	21388	7899	37532	14329	13057	16759	9138	25794	27554	39130	43076	19259	14723	17308	10383	41848	9144	17890	12429	11353	10243	10109	16219	13237	48923	11922	15555	9630	9453	22618	17876	11180	0	0	0	16452	18713	0	15818	13837	18699	17600	17170	0	23762	23540	8120	15945	7960	5289	18217	12971	32063	18363	9756	28372	12386	8779	41624	65951	62300	11975	8416	9008	5037	7919	0	8101	22305	11419	15727	11020	8007	17453	25985	12228	19101	9359	11449	9357	16108	20680	22133	12017	17479	0	18202	15321	14326	25159	29770	13293	8747	12898	10501	11763	12922	0	9405	28439	Phytochemical	0.36	1.2	0.0
24	C25 H30 O9	475.19626	475.1968	-0.026373807	475.19626	151959	147663	139389	139867	151990	112128	48721	114323	176776	319210	137975	69210	274279	90184	104166	107942	58778	188374	196158	311115	285323	149570	118734	130481	87244	254964	46823	140436	92559	84539	89625	95413	112841	95145	385193	95397	139520	79808	67342	200988	126477	70363	4429	0	0	163155	124114	0	107003	84226	144718	149657	118482	0	190146	138135	68447	120394	91627	42970	110446	137246	226948	154237	58872	172930	87325	64742	248270	435874	326842	103540	92143	82085	55956	79840	0	75350	143449	71029	116184	107870	70081	122028	162464	96368	121242	66649	83711	80870	119967	123790	149470	94579	148697	0	145563	142353	120187	138087	135940	103075	63441	114975	96120	111586	112888	0	75438	230018	Phytochemical	0.36	1.2	0.0
16	C25 H30 O9	475.19626	475.1969	-0.021034317	475.19626	334433	354127	313301	330059	218707	169659	209459	342359	285423	1063158	339284	222765	253003	140281	247917	327305	257744	250686	316034	579717	547732	304932	286927	323655	235865	598017	209099	284065	264324	295948	297950	320425	310548	210624	1164314	302987	286698	238155	290922	693734	404489	151446	5954	1137	696	287049	309287	853	369951	292524	342575	332437	198574	1252	279929	211885	156511	324806	254995	245010	345482	234321	276510	228547	133979	225425	199787	293965	489204	716427	773187	264350	264108	299242	254023	306632	393	217453	366833	200525	290209	230585	255171	302980	272256	148903	332166	164376	196815	418084	262352	268309	394832	210596	257898	2287	308238	326847	222544	230639	221137	303886	191977	328827	178799	292799	210541	894	262227	285432	Phytochemical	0.36	1.2	0.0
26	C25 H30 O9	475.19626	475.19684	-0.06319668	475.19623	48042	45715	50175	46041	51295	37692	12188	44300	64627	114397	46797	22943	95661	32722	35675	43583	19632	83042	70140	109424	111115	49766	39852	54330	25755	100447	14928	44284	37789	24045	27752	29167	35474	30234	116705	32747	50556	25040	27855	71925	51436	22683	0	0	0	54036	49424	0	31029	33727	54284	45865	41189	0	74794	53197	25469	39499	29070	19077	40543	38915	86173	59691	21017	69162	37937	26924	88026	151476	144536	34094	30645	24273	21518	28469	0	22394	55949	25305	44282	27325	26533	41924	62050	34352	47273	24302	28564	29120	36401	42397	49613	29724	50701	0	48269	51889	43651	63411	59079	37766	21082	38605	32238	27617	47727	0	27257	81722	Phytochemical	0.36	1.2	0.0
8	C24 H30 O8 N2	475.2075	475.20822	-0.06887212	475.20746	22729	23520	22470	20531	9506	9891	11537	20056	8856	36294	17059	11494	11721	5588	13263	20418	12135	11756	16229	43783	37485	38108	16404	27691	13777	13865	11979	18283	17024	16471	13724	20136	19378	17379	45819	18733	25607	11194	15587	40337	25584	10662	0	0	0	26570	20346	0	22842	18331	25471	22540	9803	0	15173	8065	9238	24687	6135	10803	20624	19637	9629	10763	4812	13308	9683	16941	13770	32897	23335	19702	16327	13064	10892	12813	0	12868	16280	15622	11683	10845	12393	19962	5309	6500	17732	9423	10918	27240	32028	38761	43024	26992	37646	0	23887	21591	7205	9963	7464	21533	8398	25026	10639	18641	7046	0	14299	11580	Phytochemical	0.33333334	1.25	0.083333336
20	C24 H30 O8 N2	475.2075	475.20798	-0.09561843	475.20746	25825	26764	26427	23465	18614	19139	22829	27786	17312	40873	19634	11567	13120	13556	25136	32346	18213	16638	25941	55581	33573	45196	21568	38252	26416	13688	19564	25530	34539	17483	30130	28320	38211	22873	46928	25574	51004	19537	14643	43961	17560	16022	0	0	0	26247	10915	0	25365	20903	24662	27600	20463	0	21238	16887	12424	32360	31534	12707	36372	26175	19463	12567	8551	21064	18844	19149	10660	26958	20446	24365	22011	21585	15291	26132	0	19843	16330	16664	15821	20434	29272	22075	7281	13101	25441	18991	21808	29004	41698	46479	64960	21040	26828	0	21747	24716	10307	13622	10710	36488	16084	28042	12181	37505	11356	0	31225	22778	Phytochemical	0.33333334	1.25	0.083333336
6	C24 H30 O8 N2	475.2075	475.2083	0.007825325	475.2075	10504	10791	10720	11183	4003	5142	7706	9917	5138	20277	6877	4919	7554	2656	6292	12881	6469	5548	8781	24618	20629	18421	8852	15065	8094	6815	5251	6146	9844	9967	11210	8582	11654	8511	17717	9686	11554	7193	9405	16030	15075	5030	0	0	0	11615	12237	0	11391	9678	8973	11094	5677	0	7482	5879	3523	10023	3726	5048	12563	8653	4466	6868	1707	7673	6339	9808	5538	13494	12258	9496	6637	7840	5712	10548	0	5905	7635	6854	6989	5597	4236	7093	3421	4745	7974	4436	4617	15480	11522	14603	15702	12107	20373	0	8042	9019	3655	5307	4618	13704	6202	12571	0	12502	4167	0	7167	7369	Phytochemical	0.33333334	1.25	0.083333336
10	C24 H30 O8 N2	475.2075	475.2082	-0.07167697	475.20746	39581	33878	28633	32338	13664	17128	23857	34956	15957	54530	29661	17062	16350	10122	21581	29202	18889	16381	21469	67482	56371	55842	24397	38737	27986	22629	17150	23731	29099	25779	21530	28824	42359	26945	71890	23523	36197	18019	22128	59686	38518	16425	0	0	0	41278	29263	0	33203	25787	30165	24975	16618	0	18917	14741	8481	40471	9885	14833	31378	28925	15001	14409	10505	15560	16169	29081	19436	50348	34063	26639	26634	22551	20108	30455	0	14909	28924	27070	21657	22927	16094	25916	10650	6482	29579	15020	16911	38027	46669	48195	65673	30860	58352	0	30063	32337	8619	15615	13003	34979	18081	40888	20183	33677	10483	0	24662	18155	Phytochemical	0.33333334	1.25	0.083333336
12	C24 H30 O8 N2	475.2075	475.2082	-0.042090684	475.20746	33799	31610	35926	36024	16873	18778	28206	42338	18138	56108	27119	23751	16481	10661	27379	40014	30580	23988	33851	83208	64022	71951	25809	39373	33454	30570	18867	31959	38800	25467	36641	36644	48728	30809	87767	31873	33259	27017	38454	69975	59991	19703	349	0	0	57811	36815	0	38612	28193	32443	31908	19887	0	19985	14272	12667	42860	24217	27950	27981	38409	18027	17681	9811	25745	22754	40975	21383	66095	50062	32295	32114	25609	24095	29409	0	27720	32057	23553	29480	31099	27520	36817	14152	10284	31993	18469	21566	55460	50205	46630	59699	33421	47815	0	34183	43096	10457	18777	18020	37614	23652	45895	21097	37123	15941	0	28737	22227	Phytochemical	0.33333334	1.25	0.083333336
24	C29 H30 O6	475.21152	475.21207	-0.010461195	475.21152	18253	11812	11738	13250	16083	6690	5032	10148	14068	21379	33464	6314	8127	11380	8149	13368	9475	5014	15068	26078	20659	14256	9071	10558	9469	91212	5997	30311	8506	10908	8819	9220	10289	9364	24462	10380	11355	8042	9203	21291	32410	8266	0	0	0	16287	19008	0	5605	6876	13420	16864	17280	0	10505	12055	9542	12269	6913	6381	13189	17032	9367	9056	5201	15626	11841	11842	82189	59923	84914	8308	8527	8992	5516	9885	0	7130	17175	10606	13146	11540	9857	26867	18977	12244	19635	7185	10640	14007	10165	10589	14457	11561	11955	0	13242	14429	14225	16834	17950	9335	5717	15438	9681	8779	14786	0	12139	6904	Phytochemical	0.20689656	1.0344827	0.0
26	C29 H30 O6	475.21152	475.21198	-0.0349316	475.2115	6466	8509	6854	5823	9118	4202	3336	0	7222	5628	18814	4229	9511	4172	0	0	0	0	7803	11362	10615	4422	0	6381	0	58613	2637	23904	0	0	6914	0	5718	0	11146	0	4587	5272	3443	12659	18178	0	0	0	0	6987	11004	0	3934	0	5994	5841	5830	0	5852	11220	5327	3759	4512	0	9237	11064	5655	3588	3121	8725	8347	5755	69949	29271	47228	0	0	0	0	3483	0	3612	7989	0	5616	6799	5427	13459	9439	0	8733	5849	3786	4175	5358	2722	8484	7520	0	0	7580	6777	6221	16106	15396	6850	3858	0	0	6819	11074	0	6928	4270	Phytochemical	0.20689656	1.0344827	0.0
22	C29 H30 O6	475.21152	475.2121	-0.013410343	475.21152	15077	13015	9202	12456	8413	6511	2771	7138	6471	7410	18000	8058	7554	5925	7534	9977	10698	7456	6089	11551	17351	8857	11611	14293	9211	62214	4435	18953	5438	8029	6469	7939	6647	7225	11338	5494	6607	7487	11728	13640	25130	7278	0	0	0	7761	7999	0	6452	7473	12933	7490	10416	0	6153	8738	8824	12754	6048	6374	9407	12819	6833	6006	4577	12271	9015	10950	49492	43432	66851	6130	3863	5067	6983	4981	0	3299	13170	10066	8479	7856	8899	16224	9882	6447	14760	6914	6299	14384	9794	9273	11045	11919	9604	0	8728	9675	8119	14620	11866	7921	5970	10382	6505	6359	10335	0	14132	8159	Phytochemical	0.20689656	1.0344827	0.0
20	C29 H30 O6	475.21152	475.21207	-0.11516274	475.21146	3553	5758	5035	3599	1777	1769	3838	5436	5876	7264	6069	5619	2000	2081	3429	5246	4201	3540	7216	5833	8627	1589	2568	5879	1761	18517	4923	5395	0	4028	3876	4547	5571	3714	6150	0	5961	3857	8332	4476	9364	1538	0	0	0	1633	5220	0	2952	3088	4693	3888	2903	0	3350	1489	3460	4017	1525	5402	3684	2973	2119	2916	3790	0	3823	5309	16050	16102	26081	4560	2279	5197	6064	4650	0	3303	7946	4843	4271	3478	0	0	5078	2625	10757	1733	3775	11867	4551	6534	4643	2397	3957	0	8161	4638	4660	3188	3290	6019	6382	8238	1784	3318	2294	0	3618	1831	Phytochemical	0.20689656	1.0344827	0.0
24	C26 H34 O6 S1	475.21487	475.21603	0.3090136	475.21503	17814	17021	19169	17885	12642	9147	3209	7114	9042	38150	35055	4454	11052	5781	5408	10739	6900	11717	17670	41456	41487	45756	8296	10435	18638	63027	4103	35643	5420	3839	4311	3943	8607	10825	51219	4185	15035	5166	8982	36527	46246	5862	0	0	0	24081	27336	0	6008	4226	14862	14931	9633	0	9641	6840	5554	13917	17774	23637	10752	32479	9820	6677	4665	10538	18594	7304	50884	70441	137194	6638	3672	3070	3759	4299	0	3682	8293	112062	4862	22992	18586	35692	13051	8596	15005	16370	10003	13658	33368	46457	22011	164785	102980	0	33714	20767	8355	7030	8402	11420	4300	25481	21636	11798	10842	0	8697	11250	Organosulfur	0.23076923	1.3076923	0.0
8	C23 H30 O7 N4	475.21872	475.2194	0.03437084	475.21875	3984	6281	5191	5445	1342	1493	3532	6511	1008	2760	2420	2927	960	1447	5304	7084	3877	1898	2354	1300	2972	8073	3088	6493	4355	0	2819	7259	4699	4449	4880	8825	6363	3800	1961	4891	8130	4133	4960	3669	4128	2159	0	0	0	5175	3083	0	5545	3997	5295	3732	2101	0	1944	700	1067	5548	0	2063	4997	1571	0	1476	0	1288	2256	5191	0	0	0	2953	4316	3773	3282	5546	0	4511	5054	18713	2529	1225	3072	2158	1085	0	3522	1873	2465	11530	50016	16194	16922	5138	4835	0	6550	3334	0	566	0	5289	3408	7048	0	6565	0	0	4120	1599	Peptide	0.3043478	1.3043479	0.17391305
12	C23 H30 O7 N4	475.21872	475.219	0.13291384	475.21878	5704	2624	6612	3237	1573	4134	3533	4707	1797	10563	0	2965	0	2043	6110	5906	5212	1901	4267	12802	12247	0	3928	5993	5026	8228	5400	0	8038	5201	4270	5744	4266	4492	9416	5422	5813	1993	11245	9454	6382	1805	0	0	0	3203	0	0	3603	4885	3634	0	3187	0	1960	1941	1540	7259	0	0	0	2532	0	0	2847	1817	2184	0	0	10700	7381	4510	6824	4269	3411	4982	0	3840	4661	0	4048	3440	3831	5164	1869	1483	5486	2132	2228	7772	27406	11889	13196	0	5693	0	4240	3661	0	1030	0	2606	3091	0	0	7739	939	0	6189	2452	Peptide	0.3043478	1.3043479	0.17391305
26	C26 H34 O8	475.23264	475.23325	-0.033524755	475.23264	118660	115339	115767	112726	140820	79704	45068	128431	140306	214206	120587	60117	189339	82533	104141	110486	65956	165999	195830	262725	244557	126899	104939	125876	93695	238561	41424	126079	115495	108852	103951	98086	117678	97186	281735	100832	147290	78350	75091	172346	114503	82164	0	0	0	120564	79670	0	109949	93301	133379	117497	100967	0	166915	142992	65453	114531	94195	47008	119719	95593	158838	115077	49130	142008	93128	72312	239774	398048	331762	93736	90179	100868	57544	88890	0	82102	122519	64331	95856	73033	74476	103104	145258	86595	117413	74853	74496	74925	115590	126889	169732	71332	116220	0	129636	125195	88169	131489	140989	123418	55345	129160	65380	93718	100398	0	81815	161737	Phytochemical	0.30769232	1.3076923	0.0
12	C26 H34 O8	475.23264	475.23334	-0.038574744	475.23264	11982	13974	12104	14478	4425	4109	14794	13672	6584	8796	5397	7587	3775	2126	10573	22751	19351	2113	7865	12304	3846	12928	7450	18190	7786	9866	18466	0	11149	16372	11691	10884	8423	5626	7364	15661	10026	10729	19213	4755	5364	6681	0	0	0	6293	12884	0	12471	14292	15943	14106	5392	0	4678	4670	4957	10697	7028	13321	16479	4531	5132	6901	3544	3539	6180	16600	0	8253	14081	3860	6424	16749	23590	13634	0	8659	15796	0	13351	7235	11939	4731	8208	5990	16538	3005	5983	28197	6738	13167	12422	5103	8740	0	14153	18366	4298	8078	7670	16199	9816	15507	0	7503	7852	0	11761	4671	Phytochemical	0.30769232	1.3076923	0.0
22	C26 H34 O8	475.23264	475.23322	-0.00611162	475.23264	789827	854591	711266	761873	737386	501134	405826	738362	820097	1483906	850974	415314	728724	461490	642767	715937	446256	840800	921084	1643327	1519619	738282	662665	782167	636654	1668359	387589	853833	683928	597843	626578	699706	803363	587528	1694226	679006	875054	569136	505878	942394	693138	437223	14121	0	712	661938	509079	2743	678128	618613	792368	766963	605765	2665	941454	665740	436192	758391	610474	371571	706480	607024	870069	719318	340302	696741	506971	522499	1260176	2388543	1889893	616711	576709	602979	424135	628270	905	507079	777639	360187	641957	427589	523779	610494	765564	496716	709672	416444	511085	558897	760946	853742	844027	427244	663286	3363	716753	770393	573832	664743	586381	788306	462835	778661	415474	629553	630313	3082	544696	912452	Phytochemical	0.30769232	1.3076923	0.0
14	C26 H34 O8	475.23264	475.23328	-0.083348	475.2326	52224	55962	44201	45650	18799	14222	59979	57032	28516	25756	32363	45451	22293	13117	39444	67521	71986	19899	30334	46730	38252	32694	41955	54809	39744	44453	52475	20562	44245	54808	50154	61591	46161	31095	46458	57740	40502	44768	79029	29984	46954	27886	0	0	0	38390	40650	0	58908	48397	42408	43434	30844	0	35641	22156	25547	59887	40446	57069	46630	18427	32094	28189	20512	18668	19277	76462	31671	48272	56674	30231	32421	51936	63127	52345	0	33860	68429	26881	52134	29741	48286	27261	39900	24679	56222	17218	26953	101827	31169	40649	56965	24042	29850	0	47456	43682	26536	41974	37236	46676	39735	50085	0	43994	30784	0	44943	24380	Phytochemical	0.30769232	1.3076923	0.0
24	C26 H34 O8	475.23264	475.2332	-0.006766632	475.23264	445225	459972	438343	447901	435913	312611	205249	392063	459340	871276	476029	212270	584609	257919	343472	394822	224498	516005	652399	1003223	879461	409821	370681	426806	318948	851004	171686	495412	376461	332620	333047	377666	442449	324608	1114969	378912	532951	275125	229202	592652	359779	217326	9524	0	0	409577	272886	2405	391443	311125	437909	445259	337154	0	564231	379031	209865	412048	340802	171470	411954	370987	557448	430670	179432	447904	288632	244533	718940	1451000	1068001	384177	340151	318472	201852	325141	0	288360	448191	194184	355068	241150	254013	354451	434842	267475	369285	209485	306082	258382	422477	465940	534190	252742	399695	2151	427133	431329	305054	367587	375162	416794	213088	459960	238976	349740	309244	0	272475	566952	Phytochemical	0.30769232	1.3076923	0.0
8	C20 H34 O9 N4	475.23987	475.2406	0.08318182	475.2399	40355	43851	38187	43866	0	6334	0	0	0	24099	50423	0	0	0	0	1138	0	0	0	0	0	6682	718	0	659	0	0	196704	1139	0	0	905	1585	0	1982	0	0	0	0	0	0	698	0	0	0	0	0	0	1239	0	40442	40800	0	0	0	0	0	1507	1280	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	480308	0	0	0	0	0	0	1078	0	0	0	4747811	2145786	0	128958	57268	0	39914	35759	0	0	0	0	0	0	0	0	0	0	713	0	Peptide	0.45	1.7	0.2
10	C20 H34 O9 N4	475.23987	475.24057	0.1170447	475.2399	14587	13426	13501	16673	0	0	0	0	0	5709	14192	0	0	0	0	0	0	0	0	0	0	2490	0	0	0	0	0	81154	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17478	16462	0	0	0	0	0	1629	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	170204	0	0	0	0	0	0	0	0	0	1498	1888287	611387	0	55614	21738	0	9503	10795	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45	1.7	0.2
6	C20 H34 O9 N4	475.23987	475.24063	0.12864834	475.23993	36844	33007	37235	33367	698	21370	0	1377	0	17728	36198	0	609	579	974	1389	0	1313	0	0	0	6734	0	0	547	0	0	223141	1299	1070	1552	0	4185	884	1038	1090	3204	0	0	0	0	1735	0	0	0	0	0	0	2903	0	33340	34287	570	0	0	0	0	3203	0	0	0	0	0	0	0	0	0	0	0	0	0	730	1007	0	0	0	0	0	0	503967	0	0	487	0	0	0	0	905	1154	0	3667978	1681143	1146	113404	43169	0	34041	33889	0	0	0	0	1156	0	0	1441	0	0	0	754	Peptide	0.45	1.7	0.2
4	C20 H34 O9 N4	475.23987	475.24078	0.09624883	475.2399	7136	5492	6794	6218	0	10936	429	1055	589	2489	7797	0	548	0	1165	1120	976	1646	0	0	0	1519	813	1138	792	0	0	51474	1424	0	757	832	1386	0	0	0	1466	842	1063	0	0	955	0	0	0	0	0	0	0	0	5965	6685	692	0	1284	229	406	538	0	0	841	0	356	626	0	923	466	1062	0	0	0	817	507	395	0	0	0	534	682	161903	0	0	0	0	1051	753	851	555	447	2126	686979	227573	1715	25047	8525	0	7514	6762	759	0	0	0	1063	0	0	669	404	0	0	553	Peptide	0.45	1.7	0.2
2	C20 H34 O9 N4	475.23987	475.24066	0.10626	475.2399	1381	0	1044	2187	1005	0	0	1333	631	0	0	985	1411	535	1106	317	1391	2143	850	0	0	0	874	1735	0	0	0	6354	1439	832	1761	1699	1783	3115	0	1260	2204	461	1900	0	0	0	0	0	0	0	0	0	649	478	807	0	869	0	1244	446	0	1107	0	0	0	0	1610	666	0	2029	1251	1917	0	0	0	2150	2050	2037	519	977	0	1054	972	38075	762	0	0	0	813	0	1569	1675	0	1539	15705	4609	1740	4180	0	0	1789	1935	0	349	0	1874	684	191	0	1271	393	0	0	3719	Peptide	0.45	1.7	0.2
12	C20 H34 O9 N4	475.23987	475.24066	0.044150177	475.23987	4210	5062	3793	4079	0	0	0	0	0	0	5614	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49790	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3868	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	129446	0	0	0	0	0	0	0	0	0	0	671754	292693	0	26824	4215	0	3278	3389	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45	1.7	0.2
18	C25 H34 O7 N2	475.24387	475.24442	-0.034164965	475.24387	27266	18402	28498	22456	6450	11862	15974	45472	7296	21028	9648	20385	5256	10178	21106	31627	28462	1951	16792	31686	10378	30988	14290	36660	18756	11242	27576	10988	44820	23036	28687	37858	39864	33702	24462	32392	52264	16906	37156	23624	18810	14238	0	0	0	16996	15016	0	37154	29474	20196	30714	9014	0	4750	6340	7110	32057	19020	23734	28290	20056	4504	4926	10470	9114	17368	38942	4838	11914	6950	28505	16118	26482	26480	20222	0	17534	31261	20052	14752	6824	15498	12990	8278	5624	21209	24266	15344	54248	59472	51976	60548	22073	22368	0	21730	15818	4288	2914	6104	37776	19100	32243	9212	29622	4978	0	31434	4222	Lipid	0.28	1.36	0.08
20	C25 H34 O7 N2	475.24387	475.24445	-0.04515293	475.24387	745541	747024	715987	657641	640912	417835	453473	683270	635940	1055445	681648	429423	669995	365704	633993	793057	565717	598286	838315	1230231	1168775	594504	563385	745670	523836	1350272	456901	649847	625420	596098	562444	599155	750953	535931	1093038	634968	740802	525620	633394	736160	686251	432071	14775	1526	718	552223	489436	2303	691179	589734	704809	701490	519913	2339	729100	569212	408344	718581	583929	460251	661074	469939	683975	600702	329022	574245	441016	604685	1075757	1688977	1662307	558710	559752	617474	608972	599458	686	502401	767894	433772	596911	338850	538881	593758	710353	437164	793599	395877	482987	682969	777064	751373	873821	401046	515809	3962	688149	709327	512845	600257	618632	742185	469341	766466	380171	629414	536244	1766	542937	728950	Lipid	0.28	1.36	0.08
16	C25 H34 O7 N2	475.24387	475.24454	0.048861276	475.2439	7387	8913	13646	11246	1948	5475	8886	11181	1612	5799	5182	9688	0	3347	7392	16989	12875	0	5210	10272	10007	10217	3820	14898	9565	1434	6631	6071	14111	12013	9671	9460	15969	9182	6869	11043	18826	6547	14534	13957	9352	3756	0	0	0	6678	5986	0	16262	12687	8872	7992	4804	0	0	1250	2207	14230	5688	5830	11950	4473	1838	3179	1130	4136	4361	20404	4283	6222	4641	9559	8449	9790	9994	13616	0	6639	10972	5419	12100	3689	7386	5260	2380	2791	8974	6219	5333	0	18874	14679	0	5870	8973	0	7720	11239	0	1358	2191	14008	6964	7466	0	12343	1534	0	10932	0	Lipid	0.28	1.36	0.08
14	C25 H34 O7 N2	475.24387	475.2446	0.061707586	475.2439	12719	14572	7698	11198	1557	2221	11341	8440	2949	22865	43158	8216	1434	1989	12028	6333	8416	0	4747	64011	76927	13506	7414	17819	11637	66197	8383	27277	9126	9475	6771	17416	17434	9156	31609	12660	14093	11879	12972	26196	43033	3341	0	0	0	11390	8194	0	10587	7820	11624	9588	3423	0	2030	1118	1477	13970	0	0	0	17065	2334	0	2447	3277	2958	10034	52582	43532	76487	6379	7375	8545	6830	9990	0	13042	5919	14532	7375	2368	3353	20596	1297	0	6629	5740	4423	25379	13411	4698	19814	14752	20638	0	10422	13065	2867	1627	2610	8763	9969	7480	0	14725	1310	0	9847	1717	Lipid	0.28	1.36	0.08
22	C25 H34 O7 N2	475.24387	475.24445	-0.04835472	475.24387	6284	5532	5829	6991	3573	2104	3110	8062	3028	0	2475	3341	0	0	9290	9051	7647	0	6214	9907	3390	8666	3361	9029	6964	4437	5217	6331	10141	7099	7389	10109	14313	9799	6288	13477	9003	4670	8139	6323	4205	4971	0	0	0	4444	3646	0	8550	7533	4627	7128	3928	0	0	1531	2166	10512	7589	6416	11676	2909	0	5051	1703	2535	7050	8504	0	6088	3073	10761	6566	5157	6112	4557	0	3842	5321	4844	3027	3563	5846	3373	2101	0	6990	4235	5182	13062	15980	18202	22216	2634	6148	0	4256	3549	2432	1572	0	13197	5440	10301	1768	15845	2261	0	8729	4055	Lipid	0.28	1.36	0.08
12	C25 H34 O7 N2	475.24387	475.2446	0.086648084	475.24393	8021	3373	8432	11046	2287	2778	5320	14654	2368	10437	4626	3595	0	2813	8009	7424	7787	2392	2531	10022	12377	8653	4009	12751	14368	6691	3965	0	12527	5893	7497	7141	15949	8245	17929	5879	9097	6236	9009	13195	4179	2365	0	0	0	8211	0	0	8887	6649	7733	4753	3902	0	2651	1184	965	9160	0	0	0	4656	1578	1140	1129	3907	6112	11987	0	10735	7471	7352	4827	7704	6067	6315	0	6538	5203	0	5718	3744	2501	7196	0	1147	9060	5453	4432	18046	15393	5791	20087	4177	11824	0	5845	4540	0	1310	1635	10459	6660	5802	0	8795	1964	0	8882	1364	Lipid	0.28	1.36	0.08
24	C30 H34 O5	475.2479	475.2484	-0.098821655	475.24786	18715	18917	15000	14216	15114	7013	10085	15714	12489	8780	22340	13980	13926	9169	17323	29716	25661	8148	15362	15331	10553	13241	19664	19361	27882	48705	13007	17932	16037	17823	14651	12485	18113	10454	11704	16905	15494	15077	22485	16813	28220	13022	0	0	0	12154	9676	0	17450	20373	14877	15900	16564	0	12297	21208	13153	21679	11999	15594	18618	9865	7571	7072	8262	9777	21400	28903	40409	27603	41489	13689	10594	11274	16836	14605	0	15746	42484	25779	24703	12191	15184	16225	17444	10533	62692	13219	10848	39294	19388	13541	32345	18098	11508	0	17754	15111	11035	28098	30993	24959	12109	19979	7112	21310	15244	0	36815	4929	Phytochemical	0.16666667	1.1333333	0.0
22	C30 H34 O5	475.2479	475.2484	-0.13843673	475.24783	11823	6927	6841	8128	6391	3668	7014	6179	5375	4227	8667	7615	5655	0	9788	13220	14711	0	5209	5790	5330	10540	16247	9372	12493	21245	7186	6328	5791	9945	9476	7069	11502	7358	5182	10482	10293	9288	19579	8138	14846	6249	0	0	0	2472	7418	0	6949	8083	9761	8696	7671	0	4605	8143	6673	14329	7635	12271	9244	1549	4222	2406	3776	5616	7937	18379	16921	11379	22136	5263	3302	8089	8642	6799	0	5437	22442	9219	16165	6964	10656	8172	10823	9029	36161	6865	4048	29112	9227	5802	12936	8229	10951	0	8625	11387	5188	13228	9300	10079	8857	11045	3086	10249	5614	0	21057	2262	Phytochemical	0.16666667	1.1333333	0.0
26	C30 H34 O5	475.2479	475.24847	-0.09203347	475.24786	12624	15737	11066	11548	11480	4986	6754	18751	11746	6420	19713	12418	13614	6215	14522	19588	12538	0	9177	15868	12496	12368	18723	15871	21957	51677	9559	21186	14319	18508	12430	15120	16971	9397	9444	10604	14455	10798	14772	12970	17382	14745	0	0	0	11909	8021	0	13193	18434	14600	14380	14054	0	10992	20248	12912	16376	7345	11842	19254	11003	6404	9920	4736	11148	25385	15451	50611	25655	37947	11035	8271	13905	9738	10754	0	10779	28813	17265	13877	9766	12645	16894	9421	7072	44323	8549	10485	20492	9390	7352	17666	18601	8323	0	17016	14573	11993	28453	24758	22465	10360	21433	0	15902	13925	0	22285	7222	Phytochemical	0.16666667	1.1333333	0.0
10	C24 H34 O6 N4	475.2551	475.25543	-0.15911813	475.25504	1299	0	1573	0	0	0	0	0	0	1041	1216	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1381	1588	0	0	0	0	2229	0	0	0	0	0	0	0	0	2056	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1259	0	1060	0	0	0	0	0	0	0	1056	0	0	0	0	0	0	36368	3141	0	1121	0	0	1658	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.4166666	0.16666667
20	C27 H38 O7	475.26904	475.26956	-0.09939083	475.26898	188974	186889	184921	176099	206492	102564	175399	168401	161300	144326	140223	131224	160715	129751	157269	224154	290079	147486	213481	187946	171725	137853	134598	175882	136588	225291	178721	127048	174436	184203	139576	178902	206876	118967	160696	192728	192416	162199	291122	101723	159412	133583	3504	1044	0	97315	142029	632	195552	160524	188734	176209	164669	418	215263	185777	121327	194625	113775	139282	170493	78262	191567	174844	116040	164541	136782	310476	160388	208769	286552	109291	140771	175769	275037	166512	0	123997	239481	114023	161003	88366	145151	125037	259966	150496	277005	113160	132080	287120	184649	168711	199051	92812	129735	820	193456	180009	142024	248543	274005	217672	122111	167386	85802	167211	214577	0	168441	166796	Lipid	0.25925925	1.4074074	0.0
16	C27 H38 O7	475.26904	475.26965	-0.0763938	475.26898	17065	16074	15828	14806	10540	3740	23408	20668	14270	6306	9086	14734	8846	8268	16291	26613	43878	6183	16435	9014	6715	9050	12237	14024	11329	7988	22458	0	16375	25996	20644	21247	20974	4396	7400	21843	11562	15695	51818	1188	8021	11752	0	0	0	6437	7570	0	19017	22157	21223	15552	10763	0	15251	15674	9939	20751	9737	16101	18971	3026	8998	14218	9754	5608	6268	47700	5299	6958	16964	8558	10148	22883	36645	23056	0	11931	30706	5402	19895	7070	14256	6096	23776	14112	33409	8091	7495	43729	13974	10109	0	4960	3514	0	14055	18667	11957	29326	27181	21029	9799	8547	0	12546	16348	0	26616	9232	Lipid	0.25925925	1.4074074	0.0
8	C21 H38 O8 N4	475.27625	475.27692	-0.008797212	475.27625	19530	14706	13425	17486	0	21842	0	0	0	1274	3799	0	0	0	0	1319	0	1524	0	0	0	1888	0	0	0	0	0	91419	0	0	0	0	1339	0	0	0	0	0	0	0	0	1021	0	0	0	0	0	0	0	0	15052	12826	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	416684	0	0	0	0	0	0	0	0	0	0	1750132	805733	0	48329	5157	0	20569	13312	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3809524	1.8095238	0.1904762
12	C21 H38 O8 N4	475.27625	475.2765	0.010483825	475.27625	3699	4210	2558	3005	0	1528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1769	0	0	0	0	0	0	1532	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48327	0	0	0	0	0	0	0	0	0	0	523846	243049	0	11675	1560	0	4174	2730	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3809524	1.8095238	0.1904762
6	C21 H38 O8 N4	475.27625	475.27673	-0.079637565	475.2762	6023	5583	5480	6960	0	16722	0	0	0	0	885	0	0	0	0	0	0	0	0	0	0	0	0	1710	0	0	0	56359	0	0	635	0	1546	0	0	0	1105	0	0	0	0	785	0	0	0	0	0	0	0	0	5801	5681	0	0	0	0	0	857	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	261462	0	0	0	0	0	0	0	646	0	0	577810	267486	0	22934	2833	0	5579	5807	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3809524	1.8095238	0.1904762
10	C21 H38 O8 N4	475.27625	475.27682	0.074649796	475.27628	14057	10230	10700	11844	0	15164	0	0	0	1444	3890	0	0	0	0	0	0	1744	0	0	0	0	0	0	0	0	0	80509	0	0	0	0	1339	0	0	0	1248	0	0	0	0	0	0	0	0	0	0	0	0	0	8996	11123	0	0	0	0	0	0	10711	0	0	1933	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	217649	0	0	0	0	0	0	0	0	0	0	1703680	579057	0	33263	5621	0	12892	8970	0	0	0	0	0	0	35119	0	0	0	0	0	Peptide	0.3809524	1.8095238	0.1904762
4	C21 H38 O8 N4	475.27625	475.27695	0.012842042	475.27625	0	465	0	0	0	773	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26094	0	0	0	0	0	0	0	0	0	0	46306	20200	0	1275	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	452	Peptide	0.3809524	1.8095238	0.1904762
26	C31 H38 O4	475.28427	475.28473	-0.14714022	475.2842	4184	3082	5984	5255	0	0	4157	7722	4004	0	3497	5921	0	4490	9009	12393	17018	0	0	5006	0	2762	6305	10299	12860	6444	6948	4615	6281	10334	7440	7062	9108	3856	1809	12812	8354	5569	15304	4337	6143	6792	0	0	0	0	0	0	5960	10431	5622	5718	4245	0	0	6167	4764	8516	4934	5209	6287	3441	0	3167	0	3539	5302	20210	8503	2600	6555	5320	10509	9058	9601	12151	0	5697	11023	5601	7702	4566	6550	3937	0	0	14594	2912	3809	9638	3412	3428	7184	5158	0	0	5208	0	0	10202	6736	13701	5607	9692	0	7619	0	0	8687	0	Phytochemical	0.12903225	1.2258065	0.0
24	C31 H38 O4	475.28427	475.28476	-0.18289188	475.2842	4231	4702	5534	4441	1844	0	5916	8433	0	0	2523	7271	1741	1838	7668	10191	20853	1499	0	3312	0	2255	5498	8581	8400	3965	7590	2197	6319	11154	6894	7579	7227	2151	0	9080	6434	7487	22151	2723	4270	3897	0	0	0	1922	2023	0	5805	11029	4756	5618	2137	0	1520	0	2923	9508	4249	7320	7352	2227	0	1626	2476	1673	2199	20919	3024	0	2124	2346	4146	8607	10886	8242	0	5562	12034	2132	9751	2439	5911	3356	6150	3482	9792	2014	4535	15120	4326	2501	6523	3205	1860	0	4112	5223	1921	4686	5535	9661	6502	8574	1807	5648	2843	0	9398	0	Phytochemical	0.12903225	1.2258065	0.0
12	C25 H38 O5 N4	475.2915	475.292	-0.16790502	475.2914	0	0	0	0	0	1859	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52314	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1234	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	305729	0	0	0	0	0	0	0	0	0	0	88839	4440	0	6073	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2	1.52	0.16
16	C27 H42 O3 N2 S1	475.2989	475.2996	-0.5983523	475.2986	0	2789	3528	2350	0	0	0	0	0	0	1768	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1688	0	0	0	0	0	0	0	0	0	0	0	176614	58686	15982	11039	0	0	0	0	0	0	10979	0	0	0	0	0	0	0	0	0	0	8766	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2743	3405	0	0	0	0	0	193915	151397	0	0	0	0	0	Organosulfur	0.11111111	1.5555556	0.074074075
20	C28 H42 O6	475.30542	475.30597	-0.106290504	475.30536	10532	16128	14951	14581	12843	6174	37367	9119	11977	3304	3520	13498	6942	16690	15017	25844	65491	8606	12854	2937	0	4564	6260	7001	12348	2199	33612	6118	19606	24522	16166	25119	18626	10942	1704	26598	19193	13681	57628	1369	5313	10662	606	0	0	4283	6609	0	21343	16273	16996	14746	13882	0	17809	20193	16721	21575	5050	12992	15469	1526	10771	12437	16124	6053	14339	68092	3227	2223	3938	4572	9472	28857	51505	29327	0	9367	22584	8545	15058	3754	13491	0	28371	21647	35291	7685	11392	49482	6606	8019	11556	2196	3270	0	15212	22696	14238	35603	39917	28957	10858	8079	4257	18415	21934	0	19585	5518	Lipid	0.21428572	1.5	0.0
6	C24 H43 O4 N4 Na1	475.32547	475.32648	-0.09963262	475.32544	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	443	0	0	0	0	0	0	0	8795	0	0	0	15569	20909	23849	0	0	0	0	0	0	0	0	0	0	0	0	0	744	20496	0	0	0	0	0	0	0	0	0	0	0	0	0	574	4669	0	0	0	0	0	6558	0	0	0	Peptide	0.16666667	1.7916666	0.16666667
8	C24 H43 O4 N4 Na1	475.32547	475.32608	-0.097312	475.32544	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3314	0	0	0	0	0	0	0	55579	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7502	103986	0	0	0	0	0	0	0	0	0	0	0	0	0	876	37772	0	0	0	0	0	83007	0	0	0	Peptide	0.16666667	1.7916666	0.16666667
14	C24 H43 O4 N4 Na1	475.32547	475.3263	-0.06282737	475.32544	0	0	0	0	11456	5086	0	0	0	0	0	0	4074	219830	0	0	0	4024	0	0	0	0	0	0	0	1820166	0	0	0	0	0	0	0	0	0	0	0	181696	0	0	0	4982	0	0	0	0	0	0	0	0	0	0	16400	0	0	34736	3754	0	0	0	0	57324	0	101070	400659	4270	26786	0	538540	809372	41840	0	0	0	3070	0	0	0	0	0	0	0	0	0	73678	303626	0	12574	0	0	0	0	0	0	0	0	0	0	10644	54718	442634	0	0	0	0	0	561894	0	0	0	Peptide	0.16666667	1.7916666	0.16666667
24	C29 H46 O5	475.3418	475.34225	-0.14129095	475.34174	16597	22196	17476	19808	6011	7225	46135	30147	5581	0	5597	24645	0	16520	21826	81472	91085	3369	6435	0	0	2091	8277	7789	24343	0	49759	6940	33760	68769	29493	50014	24200	21229	0	58935	20421	20816	94738	1195	4403	7756	0	0	0	1267	1199	0	32432	40760	15161	16988	9391	0	5341	7350	10121	62608	2300	8638	36562	0	3637	2452	15085	3962	12385	112614	1584	1672	2268	11884	18439	80344	118872	49503	0	22342	33708	5521	12968	2563	11853	6017	16175	14413	50768	11018	12301	98259	13273	6770	14302	1459	0	0	23386	21495	9489	12306	15657	49392	17709	7757	3392	32785	16306	0	25426	1183	Lipid	0.1724138	1.5862069	0.0
22	C29 H46 O5	475.3418	475.34216	-0.19960874	475.3417	3679	2712	2026	2026	1558	0	8341	7137	0	0	0	4278	0	0	1739	10183	32321	0	0	0	0	0	0	0	6892	0	10921	0	6061	11161	6684	7522	3300	1314	0	7654	2671	4110	41665	0	0	1699	0	0	0	0	0	0	5969	9453	3475	2774	0	0	0	0	2243	7037	0	0	4238	0	0	0	3161	0	1406	46148	0	0	0	0	2889	10966	23537	9071	0	3321	5009	1530	2383	0	0	0	0	2731	13822	0	1714	39992	0	0	0	0	0	0	2046	2623	1210	3667	0	5584	2836	1147	0	3212	1513	0	6289	0	Lipid	0.1724138	1.5862069	0.0
26	C30 H50 O4	475.37817	475.37854	-0.23466167	475.37808	0	0	0	0	0	0	19219	0	0	0	0	0	0	0	0	0	13580	0	0	0	0	0	0	0	0	0	20913	0	0	8924	0	0	0	0	0	0	0	5434	13949	0	0	0	0	0	0	0	0	0	0	6283	0	2047	0	0	0	0	0	0	0	0	4481	0	0	0	2884	0	0	19390	0	0	0	0	0	6611	0	4714	0	0	7655	0	0	0	0	0	0	0	18584	0	0	11193	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1259	0	0	4327	0	Lipid	0.13333334	1.6666666	0.0
28	C21 H17 O12 N1	476.08234	476.08295	-0.00440662	476.08234	7094	5388	5437	5158	9249	7370	1128	0	10647	10693	2542	896	17494	3554	0	0	0	14653	13052	7257	9798	16358	2639	2270	2795	0	0	0	0	0	0	0	2690	0	11327	0	2382	1589	0	5535	7252	3887	0	0	0	7409	15532	0	954	0	6282	6291	5960	0	12924	9559	2467	0	984	1136	3125	4600	17934	9311	2879	9261	3091	1303	0	2834	4121	0	0	0	0	0	0	1331	5888	10805	5364	6696	0	1558	14786	3043	3350	3032	4571	4767	1462	3111	1675	15246	19505	0	5031	4780	6326	7526	7772	1904	0	0	10298	3393	8155	0	1924	21319	Phytochemical	0.5714286	0.8095238	0.04761905
16	C21 H17 O12 N1	476.08234	476.08307	0.10086231	476.0824	8659	14089	9128	9349	19529	7131	1297	0	32369	16036	13993	3107	58193	6070	4028	2701	1585	32335	31877	13697	35236	66121	6179	3224	1508	0	1484	3037	0	0	0	0	3752	0	48454	0	6422	5716	2329	15745	29419	7593	308	0	0	19451	60675	0	0	1731	12124	10951	9213	0	31092	25901	8277	1734	4537	2529	0	20918	63823	28193	9275	32005	9436	1812	6283	3711	6082	0	0	0	0	0	0	2056	9591	36974	8278	28056	2299	1693	26599	7933	9244	6619	8830	0	0	5856	0	63061	50431	0	10555	13938	24733	28254	26730	5352	2456	2924	33295	0	25875	0	1113	43766	Phytochemical	0.5714286	0.8095238	0.04761905
22	C21 H17 O12 N1	476.08234	476.08304	0.012795161	476.08237	7435	5651	3451	8071	9600	9657	0	0	8573	9186	2095	1617	26292	0	3730	2266	0	22599	9931	2845	10156	24436	4437	0	2377	0	1900	0	0	1030	0	0	0	0	11284	0	3361	3002	1331	5217	9561	3995	0	0	378	9663	29267	0	0	0	5874	6242	9240	264	16769	18447	5067	0	1434	1961	2762	9730	25159	13153	4656	12641	3814	1833	0	2492	2317	0	0	0	1566	0	555	1375	6482	14829	6709	9219	1227	1352	22763	9807	6704	3494	3095	2023	2044	3643	4715	30481	23617	0	5190	5224	9896	16447	13158	1647	1959	2367	22788	1339	8213	0	1380	27893	Phytochemical	0.5714286	0.8095238	0.04761905
12	C21 H17 O12 N1	476.08234	476.0832	0.13782105	476.08243	5054	5490	3456	5558	9690	3674	0	0	11805	11180	8708	0	21776	1828	2078	1877	0	7744	11246	7662	14947	19207	1298	0	0	0	0	0	0	0	0	0	0	0	19331	0	0	0	0	5109	19536	1789	0	0	0	5682	22917	0	0	0	3233	3113	4267	0	13564	15204	2763	0	0	0	0	5772	33011	12411	2871	11115	1908	0	0	1521	3598	0	0	0	0	0	0	0	1507	0	2766	10168	0	1440	13742	2187	0	3376	1885	4462	0	0	0	39876	13851	0	3788	5012	9983	16280	10517	0	1553	0	0	0	9240	0	0	21127	Phytochemical	0.5714286	0.8095238	0.04761905
20	C21 H17 O12 N1	476.08234	476.083	0.04442678	476.08237	13638	6377	6942	9498	20627	9732	1555	2037	22714	11842	6190	2816	35509	4308	5980	3180	3127	25795	23403	8610	17977	42438	8161	3941	2625	0	1234	2211	1668	1340	3485	0	5480	0	19825	2387	7188	5565	3344	6834	16228	7461	792	0	298	17496	31863	1089	3898	1978	10842	8786	10199	232	27928	16280	9215	2441	2675	2645	3622	13266	38803	19553	7085	22970	8775	2296	3332	4835	4242	1919	0	0	3031	0	455	2548	10412	26738	6864	24174	0	0	30490	14390	5790	7528	10186	9514	3758	4059	3822	43680	34240	0	10850	7779	17289	18109	23381	5211	1366	1540	23989	3873	17993	0	4667	44553	Phytochemical	0.5714286	0.8095238	0.04761905
26	C21 H17 O12 N1	476.08234	476.0829	-0.009648461	476.08234	5890	4555	4565	8009	8744	6085	0	0	11652	7422	0	0	24325	2188	0	0	0	16613	13133	5889	8003	14736	0	0	0	0	0	0	0	0	0	0	0	0	8709	0	2209	2567	0	4949	4825	0	0	0	0	6290	18596	0	0	0	6169	4530	6024	0	15955	6459	3518	0	0	0	0	4370	26393	13607	0	8525	3263	0	0	0	0	0	0	0	0	0	0	0	5191	9046	6085	5399	0	0	16800	0	3879	4365	4915	1889	2431	2308	0	16068	24520	0	5529	0	7233	10495	7696	0	0	0	10960	0	8341	0	0	26991	Phytochemical	0.5714286	0.8095238	0.04761905
24	C21 H17 O12 N1	476.08234	476.08292	0.039633702	476.08237	4362	2887	4817	4548	7927	5452	1180	1873	9710	8328	1686	0	20017	3184	2185	1541	0	15241	11924	3695	9666	18900	4678	0	0	0	1507	0	0	0	0	0	1653	0	6680	0	2094	920	0	3107	6222	0	0	0	0	7055	16010	0	0	0	5220	4522	5344	0	15745	9770	2590	0	1144	1440	1275	4782	17382	10621	1194	11659	2794	0	1614	0	0	0	0	0	0	0	0	1147	5299	7978	4898	9981	0	1057	14091	0	3338	2503	4452	0	1840	1491	2837	17166	17068	0	5269	4031	4756	9453	11730	2883	1136	0	10170	0	5900	0	0	22400	Phytochemical	0.5714286	0.8095238	0.04761905
18	C21 H17 O12 N1	476.08234	476.08298	0.036692996	476.08237	14353	14065	12840	13307	21815	11463	1054	0	28206	22589	13866	1975	48872	8306	6667	3821	3317	34671	31766	14508	31464	52746	9185	4243	2448	1663	3203	2580	0	0	1536	0	5334	0	28904	2262	5847	2909	3296	20131	28675	6814	619	0	0	22878	50416	737	2307	0	18340	12784	14799	0	25259	27500	12893	3628	0	4675	3204	19173	54882	31117	9461	31737	12280	0	5246	2732	2540	1203	0	0	2280	0	310	3174	10488	42872	9567	25929	1714	0	37444	15456	6030	8556	7047	4730	3107	4129	8262	53628	60380	0	13260	14241	25544	29268	27793	2972	4138	4825	26346	4714	21103	0	3706	43687	Phytochemical	0.5714286	0.8095238	0.04761905
14	C21 H17 O12 N1	476.08234	476.08307	0.028944401	476.08237	6233	5750	7521	6565	14422	4815	0	0	21672	19560	15694	0	35765	4260	0	0	0	18201	12991	14365	28066	42523	4199	0	0	0	0	0	0	0	0	0	0	0	37991	0	1632	2416	2035	11802	24669	5322	0	0	0	10569	38379	0	0	0	7287	9496	7012	0	19461	23387	7500	2264	0	0	0	14928	41311	27097	7462	23578	3732	1905	0	1897	3047	0	0	0	1317	0	0	995	7007	0	5791	21625	1272	3759	28286	8137	2036	4270	7024	4122	0	3673	3056	53072	34987	0	7349	10168	17541	28179	17381	2462	1649	4021	28502	1979	11496	0	1433	32601	Phytochemical	0.5714286	0.8095238	0.04761905
12	C18 H21 O14 N1	476.1035	476.1043	0.013590903	476.1035	5231	4647	5705	4570	23654	7593	0	1623	31075	3248	5492	4904	53756	6242	3552	0	5853	33447	28476	3766	7525	6708	11232	3811	0	892	0	0	0	1656	0	0	3478	1686	0	1656	3577	1629	1628	0	0	15248	0	0	0	4362	17827	0	0	2002	6089	4044	12012	0	34691	45435	9964	1597	0	0	0	5036	53881	34081	10772	27547	10275	0	0	0	0	0	0	1355	2446	1397	0	2687	5199	0	3501	5662	803	0	43563	10079	2814	9817	9196	0	0	0	5717	17238	0	0	3924	9498	28662	31039	40830	3873	4149	0	0	2360	28622	0	0	52617	Phytochemical	0.7777778	1.1666666	0.055555556
10	C18 H21 O14 N1	476.1035	476.1043	0.12085979	476.10355	3003	2929	3727	3916	15326	2716	0	1060	15927	0	0	2720	36553	2882	1292	0	1918	14438	15540	2584	4801	7842	4540	2199	0	0	0	0	0	0	0	0	1839	1184	0	0	1571	1241	1249	0	0	8881	0	0	0	0	10024	0	0	1291	3032	4715	8315	0	19347	29552	5852	1160	0	2138	0	0	33772	20085	6552	13990	4858	1579	0	0	0	0	0	0	2254	0	0	908	2996	4849	1733	0	0	0	29503	3761	910	7214	6179	2773	0	0	3434	7484	0	0	4216	6107	17205	22079	29935	5788	1615	0	0	1902	19184	0	0	27522	Phytochemical	0.7777778	1.1666666	0.055555556
16	C18 H21 O14 N1	476.1035	476.1042	0.056817323	476.10352	4379	3602	4458	6368	22384	10858	1067	2217	31221	2269	4993	7236	50703	5327	4311	0	7038	27332	29121	2749	10522	8584	8376	2183	0	0	0	2445	0	0	1224	0	3452	0	0	0	4153	3803	0	0	0	12709	411	0	0	9034	36240	0	1555	1816	6722	5138	11529	0	27559	30993	9990	3792	0	5916	0	7325	38088	26053	10894	18950	9405	1843	0	0	0	0	0	0	2141	0	0	3374	0	8530	2997	10991	0	0	34377	6574	4045	6909	6993	0	0	3784	0	11023	0	0	6367	14165	20626	23934	21234	0	3913	1730	26403	0	24851	0	0	42042	Phytochemical	0.7777778	1.1666666	0.055555556
14	C18 H21 O14 N1	476.1035	476.10422	0.055659615	476.10352	7664	6661	6960	5811	28615	13509	0	0	35009	0	5953	5406	66525	5523	4076	0	5073	29497	32508	0	13329	8332	15405	0	0	0	1411	0	1968	1730	1507	0	2473	0	0	0	2619	3410	0	2041	0	16537	0	0	0	4912	21338	0	1873	4017	6920	5420	13784	0	39959	45060	10622	0	0	0	0	5332	56261	37856	14447	25893	10416	3885	0	0	0	1222	0	0	2828	0	0	2125	3099	0	3387	8583	0	0	42868	13433	2940	9691	11617	0	0	0	2813	8862	0	0	5769	10816	33632	26513	40281	8487	5988	0	24769	2307	31106	0	1586	56177	Phytochemical	0.7777778	1.1666666	0.055555556
28	C18 H21 O14 N1	476.1035	476.10416	-0.0320299	476.10345	1998	1853	0	2905	3913	4842	0	0	6774	0	3431	1574	0	1991	0	0	0	4221	3545	3880	9434	2237	0	0	0	0	0	0	0	0	0	0	1364	0	3074	0	0	0	0	1581	5584	0	0	0	0	8566	30953	0	0	0	2919	1681	4154	0	3280	0	0	0	1039	0	0	3495	4488	3582	1521	2543	2079	0	3805	0	3435	0	0	0	0	0	0	994	0	0	0	9353	0	0	3116	0	0	0	1358	0	0	0	0	2936	0	0	2090	3411	4379	1704	0	0	0	0	23873	0	3615	0	0	9625	Phytochemical	0.7777778	1.1666666	0.055555556
26	C22 H21 O11 N1	476.11874	476.1194	-0.02902732	476.1187	5259	4619	4512	2932	6313	5812	0	0	8239	23054	2700	0	17320	2299	0	0	0	13069	9395	13780	14094	22219	0	0	0	0	0	0	0	0	0	0	1537	0	19573	0	0	0	0	7958	8787	0	0	0	0	12243	19043	0	0	0	4886	5800	4376	0	14872	0	0	0	2780	0	0	6117	19195	8470	2712	7098	0	0	0	7192	6375	0	0	0	0	0	0	0	4216	11154	2968	9653	0	0	7590	0	3086	3096	0	0	2579	5182	4441	24068	37222	0	5115	7004	3641	4092	4422	0	0	0	9705	1426	6067	0	0	16922	Phytochemical	0.5	0.95454544	0.045454547
24	C22 H21 O11 N1	476.11874	476.11932	0.056934986	476.11877	8640	6620	9045	5512	9398	8226	0	0	12187	27722	7870	1490	27336	3380	3235	1313	0	14667	15217	12727	18485	24030	3817	1964	1824	6348	0	2243	0	1774	1286	0	1955	0	30965	0	1452	1416	1207	9559	9039	3249	0	0	0	20245	28585	0	2445	0	5955	5591	6533	0	18294	14643	2489	2564	2675	1384	2454	10923	21030	16171	2742	12217	3498	0	5480	6638	10794	1464	1123	0	0	878	0	1230	5283	15395	5271	16848	1736	4566	18071	6745	3567	2281	3644	0	2489	3794	2587	26777	37195	0	5516	6460	8270	4105	8510	2766	1408	2033	17370	2150	9371	0	1653	25773	Phytochemical	0.5	0.95454544	0.045454547
20	C22 H21 O11 N1	476.11874	476.11935	0.011466192	476.11874	25640	33507	28466	29290	31285	27002	4370	7578	39734	94685	34611	5742	65619	19439	10943	9955	7053	55120	49389	66747	75621	95494	14916	13363	10470	31731	6576	18563	6094	5121	8049	1618	10985	3979	111335	4154	10352	9404	3231	59059	43605	15408	1509	0	0	76389	91755	0	7147	3081	29076	38644	27834	350	47965	33057	14714	9804	7768	8968	10746	41637	67237	40722	20257	46798	16106	5552	29125	35295	33697	6497	3022	2680	2950	6174	284	7197	13927	55956	15851	62503	7286	42761	40008	24663	16686	12513	15177	13595	13942	25095	19621	75452	106532	0	26563	35127	29262	33249	40224	11599	8212	13374	71948	10049	32267	0	9702	64106	Phytochemical	0.5	0.95454544	0.045454547
14	C22 H21 O11 N1	476.11874	476.11945	0.029779555	476.11874	46827	47185	41908	46664	41772	24995	7889	17616	57155	167931	88827	11983	91110	22919	17689	24397	16247	60365	52954	111525	154601	148620	25976	18083	12873	44107	9518	51461	12803	10806	14069	21026	19478	10415	220140	11126	24309	18421	18722	86967	111349	16761	0	0	0	99268	146659	0	14974	16420	42896	43857	28326	0	73841	44668	21557	26149	30085	15252	22987	81125	103705	60391	18778	60655	25564	16849	86005	60803	90779	8761	7935	7803	11046	13617	0	11202	33872	127594	23012	81524	16439	46085	55158	30853	27625	23485	23715	28712	24637	34620	37419	143943	134523	0	52530	52467	47267	47330	47468	17593	11839	32507	119909	21971	39780	0	11630	79498	Phytochemical	0.5	0.95454544	0.045454547
16	C22 H21 O11 N1	476.11874	476.1194	-0.017139183	476.11874	59162	60359	48472	53141	53682	36316	9922	13941	73677	194455	89150	12088	109120	25057	15920	25842	12385	99827	90616	140733	159876	164401	28815	24221	20948	43775	10522	49293	11029	10015	16476	15275	36062	12724	276630	13128	30555	14350	11166	116730	110266	23119	1626	0	0	115125	142017	0	16411	11480	65807	59809	42241	323	80998	55912	26464	23921	22974	20144	28908	76784	122040	64397	23007	66119	34021	18016	60976	78143	83207	15316	10964	9245	10543	10212	0	16068	30400	107788	25934	89934	16610	62420	69670	34186	36959	25458	27542	29198	33865	58756	0	147077	181929	0	58295	62802	48087	49598	50915	28255	12076	29391	102537	24399	51251	0	18299	106159	Phytochemical	0.5	0.95454544	0.045454547
28	C22 H21 O11 N1	476.11874	476.11926	-0.05692164	476.1187	5558	5563	4433	4358	6441	3875	1066	0	6830	19751	3115	0	12116	2715	0	2095	0	9488	8994	10832	10953	10864	2737	2505	2870	3478	1788	2660	1880	0	1226	0	1482	0	18333	0	1998	1614	0	6461	7355	3101	0	0	0	10561	13589	0	0	0	5060	4599	3461	0	8692	6906	1579	1838	1355	1311	0	6526	11948	5734	1857	5833	1659	0	6785	10075	6387	0	0	0	0	0	0	1311	3406	13427	3257	7751	0	2926	8705	2858	2672	1470	1742	817	1423	5817	2284	12855	23119	0	5867	4097	2024	2304	3842	1962	0	0	8605	2810	4862	0	1363	10778	Phytochemical	0.5	0.95454544	0.045454547
18	C22 H21 O11 N1	476.11874	476.11935	-0.010055893	476.11874	55571	48802	49522	49718	53811	33177	11838	18239	63499	166189	71021	11668	113315	34710	16211	19365	13040	85762	65524	121882	141693	140748	23941	23589	11688	49673	10360	36969	10294	8692	11142	13496	24261	8196	191596	7252	28839	18528	10526	101166	79633	22388	2697	313	0	113305	122570	0	9409	10309	51456	46947	35684	340	84408	57175	23733	14383	21419	13076	17700	80751	109543	60433	20931	65460	32571	14344	49970	64344	62996	11557	7535	3583	9112	6108	0	8146	35012	99550	21787	92688	13735	54482	63195	39852	32899	18256	25623	14154	36255	45499	35163	117508	167077	0	41807	52150	49051	46736	46339	18477	13059	27482	91114	15673	44182	0	20256	95889	Phytochemical	0.5	0.95454544	0.045454547
8	C22 H21 O11 N1	476.11874	476.1196	0.0986616	476.11877	6153	9541	5578	6898	7691	2472	1007	1802	12424	24551	13248	2943	20591	2027	2792	3551	2160	9706	9579	12670	25791	23537	5107	3733	873	3932	1200	4112	1351	2017	1004	1997	2076	1225	35144	1289	3567	1903	3479	9918	18794	2754	0	0	0	10926	25742	0	0	2124	7791	8015	5148	0	11253	13701	2958	2618	2793	3107	0	8999	21864	13214	2564	10931	4519	4107	9486	4428	17036	1656	1213	0	1919	1473	0	1463	5339	5445	2749	10178	1364	3043	10315	4264	2536	2286	3213	2980	0	0	4659	19619	13952	0	7199	3999	9655	12247	9207	2230	1444	2952	15617	3651	8381	0	1317	18126	Phytochemical	0.5	0.95454544	0.045454547
22	C22 H21 O11 N1	476.11874	476.11935	0.006736095	476.11874	13401	15858	13970	13731	22346	11084	0	0	23780	54013	16352	2929	27969	6694	4720	4540	2991	29283	20273	28714	42702	42803	9693	6821	4909	8939	1520	8077	3691	1375	4500	0	1887	2888	45952	0	3518	3661	2820	30690	19132	6002	0	0	365	41936	48373	0	2109	1743	14122	11049	11827	402	33002	23427	10267	6589	4169	1895	4245	24156	46668	26056	9058	19156	10522	1269	16751	16929	17617	3249	2177	0	1852	2717	641	1591	11325	22966	8446	39296	2108	16864	23329	11702	7386	4204	8548	3870	6670	8251	6789	54337	62260	0	8637	17905	15836	17633	18793	7450	2552	4372	37553	5823	16291	0	2624	33853	Phytochemical	0.5	0.95454544	0.045454547
10	C21 H21 O10 N3	476.12997	476.1307	0.057171725	476.13	20388	14108	19097	14661	15106	7562	4778	9491	15929	17979	13281	10846	25319	4125	7349	11403	12822	19100	24149	18890	24396	37837	12187	11833	7266	2737	5545	4993	7633	7653	9111	10941	14321	9368	27260	7419	13790	8461	14957	23117	36385	9173	0	0	0	28918	45863	0	13979	9042	17055	17656	0	0	18029	12056	6675	11791	9087	14524	11743	18881	26537	17486	0	17537	11373	14149	13724	12628	17573	10148	8239	8850	9323	8449	0	8124	11786	9214	9858	18450	5977	6796	14817	8706	14821	8570	8702	25505	6074	11292	25126	19387	21364	0	16333	0	0	17011	13843	0	8433	13105	24652	15808	9683	0	9191	26536	Peptide	0.47619048	1.0	0.14285715
8	C21 H21 O10 N3	476.12997	476.1308	0.049881928	476.13	12811	14059	8680	12673	9777	5378	6596	6044	10296	15982	12434	6481	19223	3748	7671	7502	11693	11905	15075	12826	24376	23995	8893	10601	2259	940	3249	0	4784	5782	6391	5435	11244	5970	25152	5340	7767	6370	7914	13427	29745	4938	0	0	0	23338	39084	0	8749	6254	17449	13417	9332	0	14655	10370	6203	7339	6233	12412	7539	13820	22031	13577	8333	12728	8471	10888	6406	4107	13273	4718	5024	4122	6631	6382	0	6475	11217	7696	6686	14509	3126	5895	12971	4648	7853	8907	6009	14421	0	9268	16554	18938	13935	0	13120	11785	8816	12187	8525	8889	5351	6659	12355	8817	8031	0	5092	19927	Peptide	0.47619048	1.0	0.14285715
12	C21 H21 O10 N3	476.12997	476.1307	0.12864724	476.13004	14345	11967	13643	12001	12372	10324	9972	12553	16365	18396	11500	6612	25947	5016	9005	6347	13861	12760	22152	22540	23513	45165	15186	13963	6676	3273	3666	0	12851	5868	10854	7706	20456	9511	0	5374	16142	10565	19642	28958	25364	5569	0	0	0	23282	48163	0	10766	7035	12045	12630	10207	0	19558	13680	9759	14203	6492	15511	0	21903	30597	17063	6299	18212	11481	14117	0	9732	13599	6746	10202	7023	7322	9195	0	11215	13784	0	0	24171	8402	10767	16618	8264	13685	10042	10145	31065	4178	13486	29037	20436	15624	0	16548	18463	17710	14875	13674	11266	10383	12234	29003	12696	12084	0	8859	31825	Peptide	0.47619048	1.0	0.14285715
20	C18 H25 O10 N3 S1	476.13333	476.13443	0.81220335	476.13373	28650	17237	26339	17120	27429	23402	2725	18749	33814	34672	30224	13338	42637	11323	16829	16463	14393	36624	26973	37599	65022	37122	15959	14247	7850	40552	6821	19197	8977	10839	11651	7254	15223	6157	41113	12543	9622	11837	9859	31403	37127	15136	1289	0	324	84307	160103	590	14196	16485	24918	22782	17947	0	37800	24063	12077	8215	13914	13867	14907	49062	27368	27294	12134	17411	18325	7872	50087	27082	46462	7475	10918	15113	8694	10148	584	16448	7917	41479	9184	78176	5367	12653	21787	16498	10457	14179	13257	8596	6204	16184	17409	41013	33992	0	16347	27685	30039	18577	16388	13576	14180	18776	119087	11002	29027	0	5557	30899	Peptide	0.5555556	1.3888888	0.16666667
28	C19 H25 O13 N1	476.13986	476.14044	-0.020341681	476.13986	4954	4821	5963	4806	4210	6773	0	2908	5079	9206	4630	2176	4224	1127	3503	0	0	6358	4106	15476	23563	3613	3426	3846	0	0	0	1482	2122	0	2373	1091	2128	2774	12684	0	4167	2588	2279	7359	10553	2965	0	0	0	22732	46799	0	2345	0	5138	4458	4614	0	4834	3110	0	1123	3380	2541	0	10643	3938	4018	1674	3522	3564	2316	7227	5762	8851	1946	2237	4788	4401	2022	0	3777	1616	4722	1811	18452	1314	2730	3417	0	1275	1792	3213	0	973	1664	0	4821	0	0	4450	4040	6344	0	0	0	2252	2514	32693	2867	2980	0	0	7125	Phytochemical	0.68421054	1.3157895	0.05263158
12	C19 H25 O13 N1	476.13986	476.14056	-0.003243964	476.13986	46449	50558	42874	51150	71286	48244	20006	51482	108606	36802	54789	46682	163052	26663	57509	34603	55026	130385	141356	75882	112025	78140	78165	36978	14974	8356	14161	12589	40948	29999	33870	26950	48220	23785	89717	36590	34460	43916	32716	33235	80552	63367	1024	0	292	113923	224402	405	22339	48367	46537	45448	57782	0	163578	94348	41752	24360	40828	45577	40954	65170	154906	105896	34809	79221	48831	37084	38976	17451	27398	29405	26652	31894	36999	24900	0	41451	50759	67218	37600	83496	21197	11876	109105	51203	36313	38333	47924	33648	7536	26788	51469	99532	47058	659	40165	74263	92394	67974	83394	58684	35911	36029	167472	34683	104611	0	19359	151224	Phytochemical	0.68421054	1.3157895	0.05263158
22	C19 H25 O13 N1	476.13986	476.14053	-0.03753708	476.13986	10997	12920	5728	7986	9969	11149	2481	4721	6421	6985	5186	6537	6182	0	9492	3112	6839	13940	7423	10041	19748	4862	9061	3015	1689	0	2269	0	1601	2105	2979	0	3563	2686	8277	6205	3624	5074	3013	8486	9434	7810	0	0	404	45747	84392	0	1740	6593	9455	5837	6389	359	13276	4672	2453	2182	6731	3488	3321	17169	9101	8171	5071	2917	6477	2327	8138	4110	4999	6146	5776	5961	7678	2268	0	6399	4468	9593	4482	42364	1646	3442	6444	6909	0	4283	4901	1665	2602	3463	5208	8903	5077	0	4457	7442	11629	4830	3763	4649	6065	3128	61785	4254	10051	0	0	13459	Phytochemical	0.68421054	1.3157895	0.05263158
14	C19 H25 O13 N1	476.13986	476.14056	-0.022067217	476.13986	71801	63322	62952	77910	89744	73397	22841	53656	145795	57749	56943	48515	222108	43567	72513	45505	49769	178938	165352	109204	157355	95798	96539	52711	22539	18149	20300	22687	45073	47635	38547	33359	64773	32372	83431	48170	48833	51248	36315	44545	84446	75851	0	0	359	163368	335962	455	34959	46625	63875	64816	70727	519	241921	110179	54412	51054	69328	42604	57770	90959	174854	143870	55545	103560	71031	35743	73264	39198	56749	31247	39424	46400	45953	32402	0	45076	42788	125601	47221	136323	15539	23265	121935	68076	39243	49465	61409	31386	15226	39293	73780	90804	73936	596	61295	91704	108609	71456	93685	78995	47544	61248	304030	51417	110117	0	15867	179203	Phytochemical	0.68421054	1.3157895	0.05263158
14	C23 H25 O10 N1	476.15512	476.1558	-0.01371297	476.15512	99882	100123	89565	79519	64040	56280	42635	58631	78522	280663	148247	36852	96314	36811	46309	64075	47694	76404	88417	210255	219150	166435	56347	73816	46010	133045	33853	104309	51248	50273	49803	69581	71080	46030	349348	49820	62552	40510	48156	179107	154228	36521	0	0	0	149773	161668	0	63970	49290	92562	95822	47998	0	88868	55213	36365	64992	77422	45766	55028	139176	104889	71871	32631	71142	48053	41391	143202	195788	167229	53469	46430	51934	39671	47674	0	41653	53833	110726	48638	94585	49044	103598	67890	35196	58226	46515	43641	74854	75609	89629	84183	120061	161015	0	98519	95053	45943	54455	51258	57408	37654	83852	120705	57212	50420	0	36975	92649	Phytochemical	0.4347826	1.0869565	0.04347826
24	C23 H25 O10 N1	476.15512	476.15567	-0.053632803	476.1551	12579	13945	11603	9748	12628	10830	2234	5340	16839	44783	17671	3425	27212	6201	4993	7318	3563	25672	16445	26438	37208	24700	9076	8037	4478	28885	2932	10014	5532	2776	2104	2220	3933	5208	40811	1722	5895	3589	3296	24788	22460	2817	0	0	0	29046	36633	0	3729	2402	11966	10337	9831	0	20305	13996	6831	6434	4684	2517	5273	17008	20128	15674	2461	16024	7726	3710	24600	41627	35138	4105	3303	2614	3527	2506	0	3752	7438	14122	8988	17508	2567	16533	17557	7996	6058	5872	6633	4457	4644	10903	8371	16859	39381	0	13951	12415	10873	9213	14027	4662	3222	4343	22088	4807	12360	0	3833	26368	Phytochemical	0.4347826	1.0869565	0.04347826
18	C23 H25 O10 N1	476.15512	476.15573	-0.026339896	476.15512	107978	103096	94945	95688	77681	67345	38302	54877	83540	364189	156368	29925	157500	51848	50161	70859	34551	120797	142788	263961	256319	183974	65347	64423	54817	166945	28257	124930	59335	43130	48504	45248	60818	40097	399614	52837	77533	42952	35532	219317	132815	50988	3365	0	0	187397	154593	0	58733	48076	94891	96564	67257	364	116882	73754	44738	66845	58416	28817	71710	137930	136247	87421	37463	99305	58936	40886	153102	239825	188207	53176	42675	39900	30504	52958	0	38441	70461	96952	57152	129026	43590	132277	93487	61905	64972	51419	53458	50487	99837	112453	110927	134435	220340	560	99872	101969	67968	72465	74384	73316	34775	68254	121078	61763	69492	0	46384	129021	Phytochemical	0.4347826	1.0869565	0.04347826
22	C23 H25 O10 N1	476.15512	476.1557	-0.030142216	476.15512	31314	29317	31101	30972	39161	29921	7178	11915	40999	110633	48259	8006	53524	16987	13155	19328	6486	55286	41586	74148	71332	61113	16837	16453	13703	57036	6320	35297	13201	11406	11457	8779	14904	11387	102615	8001	19331	8264	7848	54485	50532	13754	0	0	458	75679	68426	0	14666	11567	33267	35450	28975	468	50739	32311	17614	12116	12903	11043	16024	46235	57232	33066	14727	36051	16446	5421	59887	80854	67486	12896	10522	6294	7031	7573	0	15127	25855	36977	14728	48812	10158	32748	43807	25086	19718	14905	18653	13950	18439	25064	22771	48418	80268	0	28692	27521	29846	32560	28418	18300	9316	17754	50774	15274	32018	0	11651	52163	Phytochemical	0.4347826	1.0869565	0.04347826
8	C23 H25 O10 N1	476.15512	476.1559	-0.008133482	476.15512	20187	20455	15754	19920	14325	7587	7320	11343	20252	61460	29268	7186	25128	6640	9726	16738	11627	14639	20491	46103	67017	42958	10827	13186	5809	16184	5812	20321	5631	6181	9708	11598	10976	10919	85821	8977	11981	8247	11650	35822	43353	6258	0	0	0	38295	50677	0	12651	12395	21001	24643	11191	0	22522	14511	7833	12979	9349	12663	11043	25111	25960	17775	5497	16054	9356	9657	30434	30032	47627	10876	8441	7946	7486	9419	0	6360	13390	16632	9903	21517	7168	18835	13385	5443	12267	8890	8702	17935	0	18298	19962	35237	51126	0	24169	17173	12690	17624	14031	10393	7753	18952	16030	11868	10195	0	9013	23512	Phytochemical	0.4347826	1.0869565	0.04347826
20	C23 H25 O10 N1	476.15512	476.15573	-0.01873681	476.15512	84124	65839	71112	58036	63180	50545	23310	35897	71114	217632	108539	22288	112035	40506	28744	34251	24383	97939	90175	176219	191968	117662	34891	44385	26739	117210	16972	74147	37968	25419	29431	24263	38909	31677	278467	21837	39697	27386	21699	123183	96193	32367	2007	571	347	150924	120833	0	35190	28632	66415	74168	50135	326	93615	64061	32596	33841	34886	22586	37639	91390	103471	64983	28578	64190	42491	18679	116228	142992	129932	31817	24914	21728	15525	23427	368	24913	47219	81184	35195	80286	31797	111781	73659	44539	39633	33892	35886	27478	54515	72252	74034	94482	148478	0	68977	67060	50712	49919	60378	29529	19936	43684	105286	34292	52246	0	30001	110633	Phytochemical	0.4347826	1.0869565	0.04347826
12	C23 H25 O10 N1	476.15512	476.15585	0.02672195	476.15512	53750	59907	53139	55932	37746	29376	30060	42528	45661	178226	106226	28221	61127	21946	27286	35338	35223	54185	62298	148094	154088	137594	39238	51089	27047	74544	23903	48228	33410	29407	36500	32316	46992	30014	252370	29094	39551	29832	31503	122329	130178	25739	873	0	0	104650	114003	0	35513	37072	46859	55580	32396	0	53120	32016	21062	43477	41919	35542	23828	96374	75856	42785	19905	52116	29559	39495	105596	131904	124629	30230	32401	32961	27638	33273	0	27065	39941	59874	35920	74923	30153	70048	37865	21883	37407	24367	25901	61931	39026	59728	59629	87894	82854	0	61406	61503	43025	35117	34031	39174	23448	40541	79353	38502	33076	0	24390	73411	Phytochemical	0.4347826	1.0869565	0.04347826
10	C23 H25 O10 N1	476.15512	476.15585	-0.004380987	476.15512	40653	42232	39516	32277	27994	17152	15356	27930	24611	123046	61851	16417	38064	14780	16422	28305	16757	36380	35560	89064	102857	74885	20548	28355	17332	51831	13617	37165	20731	20833	20971	19370	24381	12493	153517	20149	32617	16373	21152	72328	73421	14118	0	0	0	68807	78913	0	22953	16600	39064	44143	15718	0	37253	27906	12407	25117	19551	22011	32609	47281	41901	33700	9712	33463	20381	18885	53211	72313	80691	20528	19157	17397	15068	21160	0	15330	27868	36680	23093	42728	14089	36360	28493	14581	22814	13575	15814	33178	26711	31298	37668	58394	64806	0	39549	34095	23699	26399	22315	22834	17701	35512	50077	25626	17702	0	17321	36466	Phytochemical	0.4347826	1.0869565	0.04347826
26	C23 H25 O10 N1	476.15512	476.15567	-0.03220387	476.15512	6487	6006	6708	5571	9092	5779	0	0	8814	27666	5460	0	19074	0	0	0	0	9601	8602	14672	21455	11236	0	0	0	11270	0	2875	0	0	0	0	2015	2919	23886	0	2056	3169	0	13936	11325	0	0	0	0	10042	18815	0	2605	0	7000	5376	3813	0	9972	7484	0	3384	0	0	0	7007	13880	9081	0	8477	3871	0	15590	16526	19750	2831	0	0	0	0	0	0	3761	8691	4936	10101	0	4771	6277	0	2973	3849	0	2230	2163	4259	4630	7913	18045	0	6037	10497	6158	5242	5769	0	0	0	8344	2659	4981	0	0	13988	Phytochemical	0.4347826	1.0869565	0.04347826
6	C22 H25 O9 N3	476.16635	476.16718	-0.022013495	476.16635	27600	26648	22566	22710	9760	8872	12441	28044	13620	29287	18278	15956	20038	5218	17920	31310	23495	16938	17826	26456	35445	35336	20872	37792	11673	6149	14451	12112	20829	18461	19577	22056	29869	17430	33196	20035	26160	15697	31881	26211	39932	11433	0	0	0	31314	38445	0	30384	18034	21935	25515	11777	0	16830	12874	9306	29055	15832	25717	27073	23888	18594	16564	9341	15307	15052	34659	10768	12200	16805	19500	18682	17636	11482	16845	0	13475	21092	12193	17605	15375	14322	13791	11066	11390	23133	13823	15321	44460	18631	28582	42046	19784	22337	0	21500	20152	7843	15362	15707	26795	14701	32744	16633	24397	9320	0	16271	21959	Peptide	0.4090909	1.1363636	0.13636364
12	C22 H25 O9 N3	476.16635	476.16714	0.05721716	476.16638	56796	0	47804	0	29882	27908	56516	69380	32988	53460	23575	0	39811	13529	0	67546	0	40785	47076	70986	63389	0	52636	74187	0	15129	0	19763	0	40193	0	0	70791	45373	75208	0	0	49641	77416	72894	76846	36753	0	0	0	0	74514	0	56968	57341	48952	51856	35405	0	47312	24754	23625	0	65094	42261	56859	59395	44621	29761	23107	38430	31766	84179	23071	41337	32273	0	0	40589	35242	0	0	0	57756	52358	0	50901	0	43555	31165	26547	0	0	0	121281	51227	82288	0	38713	47064	0	54394	58478	20497	27529	27971	59683	37340	66431	40931	72096	0	0	0	57128	Peptide	0.4090909	1.1363636	0.13636364
14	C22 H25 O9 N3	476.16635	476.1669	0.063707635	476.16638	49443	41875	43999	45861	20895	26806	38686	45064	28305	34701	22493	34269	36412	12194	40903	56245	0	34687	44826	46065	43729	79619	51402	61752	0	10422	0	18939	42765	48481	42482	52717	69578	42101	53683	37755	62150	36584	52033	51178	35728	34632	0	0	0	48658	48218	0	0	42023	42433	44065	24272	0	40312	16156	21338	57267	54618	49495	92818	35953	31951	27386	17655	32715	34339	54011	0	21256	18724	42693	29318	36026	34910	38934	0	38090	49516	24508	41287	30867	38151	29640	42154	22419	52085	31342	31735	0	57835	67031	106855	33993	36168	0	50834	47455	18742	20962	19551	61484	30742	56507	41850	55483	16631	0	45187	31638	Peptide	0.4090909	1.1363636	0.13636364
8	C22 H25 O9 N3	476.16635	476.16708	-0.03204749	476.16635	47640	51412	39245	47755	22702	0	26184	0	26379	53137	31866	33493	0	9280	33943	50370	42357	24803	39479	52193	57824	71800	0	59253	21888	10221	26182	18619	38549	37421	32604	46967	53550	37948	67552	38016	53153	31315	0	60964	0	22812	0	0	0	62814	73078	0	46612	45443	45812	42817	24366	0	30896	25114	17658	48419	36504	45760	52852	44526	33749	30459	15101	29695	0	56080	18160	26836	33547	44158	38869	31353	31402	39807	0	28125	40669	28976	34842	35345	31978	30105	19475	18093	42500	28242	27469	74018	30272	63082	83305	46123	54864	0	51337	42276	20318	0	22716	48771	28888	66921	30807	51358	17145	0	35715	32871	Peptide	0.4090909	1.1363636	0.13636364
22	C27 H25 O7 N1	476.17038	476.17108	-0.015070631	476.17038	2208	1789	1902	1310	1748	0	0	0	0	2307	10665	0	0	0	1415	0	0	0	0	3249	5176	0	0	0	0	15097	0	7695	1295	1127	0	0	0	0	2330	0	0	0	0	4360	8520	0	0	0	0	2484	3637	0	0	0	0	1217	1246	0	0	0	0	0	0	0	2763	3331	1590	0	0	1822	0	0	15927	11641	25675	0	0	0	0	0	0	0	0	2460	0	2243	0	5652	1361	0	3237	0	0	0	0	0	2259	2176	2152	0	1479	2197	0	1320	0	0	0	1367	0	0	0	0	0	0	Phytochemical	0.25925925	0.9259259	0.037037037
24	C20 H29 O12 N1	476.17624	476.17682	-0.002040113	476.17624	6446	4834	5977	3578	2026	2502	0	4048	1897	12067	7740	4005	4361	0	4912	4849	0	8416	3165	15595	14029	8154	3192	4115	2579	26140	2220	7986	5890	3213	2682	5111	2391	4468	13259	2602	4204	2619	0	11863	9819	0	0	0	0	14738	8293	0	4359	2022	1933	4960	1396	0	3664	3521	926	1661	3563	4745	3654	13419	3808	3813	0	1655	1956	1648	18935	17502	21639	4963	4688	5749	0	2367	0	3623	3350	3433	2709	11391	0	8274	3420	0	2264	0	3529	3897	4300	10280	2040	6318	8410	0	2144	3326	3894	1622	0	2433	3049	4028	13722	2383	2034	0	1715	5233	Lipid	0.6	1.45	0.05
28	C26 H30 O4 N1 S1 Na1	476.1866	476.1871	0.40120563	476.1868	0	0	1230	1036	0	0	0	0	0	0	0	0	0	0	0	2453	2712	0	0	0	0	1809	0	30206	0	0	0	0	0	0	0	0	1065	0	0	0	1473	0	1376	0	0	0	0	0	0	3052	0	0	0	0	0	0	0	0	0	0	0	4751	0	0	0	0	0	0	0	0	0	974	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1030	0	0	0	9796	0	0	9895	0	0	8478	0	0	0	0	0	0	0	0	0	0	0	0	7303	0	0	1837	0	Organosulfur	0.15384616	1.1538461	0.038461536
18	C24 H29 O9 N1	476.1915	476.1921	-0.03923924	476.1915	168425	170582	139311	147554	109012	91996	84403	155441	101986	359584	185974	72413	159704	73725	101588	143475	75824	154806	175959	386273	338495	204498	110090	151502	102734	301501	68621	171365	119529	117236	118651	128522	147559	128625	378368	122767	132431	77418	82254	278583	179016	80439	3654	0	303	181972	153690	0	128933	119054	146166	153480	97489	0	135930	100939	69263	132606	114978	81102	147987	166350	158887	99515	59757	122195	99225	86112	237663	381215	324908	127047	93520	114223	83529	114012	0	87552	111786	110672	97162	117167	95427	165115	120543	78940	113536	83367	90347	111691	157752	172050	197785	127883	224296	655	156509	159229	93623	80571	94542	139882	72868	160508	99514	121161	76316	383	94519	139989	Phytochemical	0.375	1.2083334	0.041666668
26	C24 H29 O9 N1	476.1915	476.19202	-0.061158642	476.19147	12196	14376	10417	11613	17861	8808	1535	0	14320	23842	12199	4380	20962	5305	6281	8642	0	18940	13140	26134	28497	12142	8329	11567	6182	26780	0	10641	0	0	3370	4568	6666	7377	30073	6070	6595	4809	4616	19616	16582	0	0	0	0	16743	12617	0	6120	0	13837	9567	10114	0	12870	6975	4754	11815	3821	3996	8021	10954	17631	12916	2896	15316	7528	3448	30552	42470	47809	8030	5813	0	0	3780	0	6658	14318	7370	7869	5566	5499	11605	15532	0	7253	6032	7573	6987	7248	6416	15252	5872	16681	0	9503	15814	7475	10835	8952	6019	4105	9483	9515	8785	9706	0	6132	20636	Phytochemical	0.375	1.2083334	0.041666668
20	C24 H29 O9 N1	476.1915	476.19208	-0.022758424	476.1915	124440	127317	134145	117174	122999	100696	60987	103914	105534	333351	169095	58297	159001	89691	87473	109116	66675	144828	160993	348195	308617	173730	94752	132167	87231	305052	52796	159146	105775	89372	80279	92594	114789	84934	387854	77495	120852	67482	57984	225752	153930	77374	4513	0	0	177578	144952	797	91330	80757	131745	132781	96680	539	135348	101546	58914	97157	92369	57391	107523	142683	148762	97785	53879	132208	82581	59693	235603	351082	306554	106208	96685	80670	69519	81262	504	66345	92444	102181	74855	96404	76204	147930	116212	71546	93066	65410	78203	94159	131826	146317	179421	104422	177459	587	136709	153773	95672	77524	91280	98763	62925	126748	120177	112560	88855	620	74037	160804	Phytochemical	0.375	1.2083334	0.041666668
28	C24 H29 O9 N1	476.1915	476.19205	-0.060419194	476.19147	7132	5010	5375	3987	6594	6758	1275	3910	5795	16942	6922	1602	8571	2793	4252	6973	4448	9216	9348	9448	10945	8113	4469	6572	0	13828	2479	6177	3544	3369	3357	2517	4379	2930	16112	2829	5172	2142	2661	7052	8258	3860	0	0	0	5962	6083	0	4498	2513	5006	4548	3809	0	6098	3108	1416	6179	2723	1530	6764	3485	8134	4856	1983	5822	5220	4441	14651	28154	28130	4429	3052	0	2745	3180	0	2176	5170	4414	4166	3848	1827	4641	7194	0	6827	2545	3164	9888	2531	4844	8040	3943	9509	0	3905	6277	3256	4343	5404	4910	1623	2982	4587	6296	3272	0	2414	9763	Phytochemical	0.375	1.2083334	0.041666668
24	C24 H29 O9 N1	476.1915	476.19202	-0.089376636	476.19147	30408	29843	25432	31712	32060	22423	5140	18606	29614	72495	37177	11580	47673	18721	13567	20695	11989	40307	37946	60883	71860	39181	25008	25982	18107	68055	9855	31256	14923	13383	17589	11191	18843	15027	83949	13981	20770	12261	13013	52607	41612	14781	0	0	0	37692	41626	0	20846	16552	28111	30007	20198	0	32920	27058	11198	23295	14411	11272	22874	31964	44422	25900	10088	41406	17266	11983	70474	94912	89446	20106	10948	9764	11921	13070	0	10913	24737	20207	18113	24031	13782	29282	36301	13650	14381	16294	12409	37421	19179	29908	42812	26372	38673	0	31571	33729	23333	25381	24498	13950	13335	17783	26918	19212	19873	0	12820	47052	Phytochemical	0.375	1.2083334	0.041666668
22	C24 H29 O9 N1	476.1915	476.19208	-0.059819087	476.19147	79329	68786	67152	72309	73886	68218	29635	51598	87425	207726	104309	29676	92627	49546	40975	49445	34177	85798	92863	188593	172116	96677	50222	66328	51905	170621	20500	85370	47722	40099	42154	41407	55368	41435	214522	37865	59455	35169	38210	122717	93766	34230	3796	0	0	107786	97907	0	47792	38636	73016	68787	52561	0	76316	61281	34405	54162	47081	26292	54864	89042	85810	65886	31083	83451	46999	30813	141976	244085	192561	48708	40893	33781	26135	39750	353	32858	64473	45072	44124	64894	34350	77007	84981	45126	45205	45923	44299	43563	69911	78672	85722	63403	110868	0	64042	74078	54334	58007	58543	57497	31391	49641	69373	55019	54612	0	32107	103997	Phytochemical	0.375	1.2083334	0.041666668
6	C23 H29 O8 N3	476.20273	476.20355	-0.05492466	476.20273	23451	24771	22091	21819	10481	11054	15971	27052	11674	23680	12282	13843	14095	4860	19703	27912	21870	14788	16880	25417	23643	31939	19425	34323	17691	4577	12956	9631	21313	20958	24660	24645	27745	19802	27731	25968	31331	15565	28569	24168	22082	10474	0	0	0	21408	20078	0	31504	21139	19415	19981	12399	0	14056	17038	7944	34881	11945	15381	27888	16792	10739	8856	9320	12398	13602	30243	5067	10467	10161	19785	16273	18144	12662	16425	0	13079	24619	13658	14838	12452	16160	14287	8032	8955	26025	13471	14137	44440	26646	29531	48883	17552	23892	0	24315	23370	6679	26366	29268	28164	16153	29500	14633	23218	7946	0	19636	11105	Peptide	0.3478261	1.2608696	0.13043478
8	C23 H29 O8 N3	476.20273	476.2035	-0.048407752	476.20273	38404	41272	33364	36385	15262	20350	26522	41707	18916	34924	14376	23418	23640	8385	0	44388	28469	18493	30481	40411	37318	57535	30645	52584	30737	7108	20793	14740	36376	31531	32532	38946	38045	31803	44535	35130	48145	28021	38796	44295	34075	19242	0	0	0	41527	32754	0	43848	0	38585	37069	19109	0	22509	22150	13911	38207	21538	24207	49165	27176	16853	20014	9039	19217	20231	46617	6126	18677	17052	0	31137	27990	23114	30751	0	27987	40778	29839	27774	21948	30273	27067	12816	17703	37383	16615	21603	57795	45858	53621	73345	32465	41559	0	38788	36618	11325	30453	30145	38767	22128	50337	26128	34244	13516	0	35759	19393	Peptide	0.3478261	1.2608696	0.13043478
12	C21 H33 O11 N1	476.21265	476.21332	-0.016244806	476.21262	20231	16217	18164	23919	8221	16789	28375	48546	23952	17209	9258	25076	29355	6942	37790	23202	29102	24829	34913	28319	35137	18309	44529	35530	30852	12362	9938	0	41971	28079	32365	23320	32809	24618	35096	38031	23635	28907	26768	19743	13950	18548	450	0	0	34419	10137	0	26398	33076	21059	15575	20534	0	45781	24344	13150	22201	40988	13760	0	16389	24911	24401	15815	20487	18272	25363	0	14721	12745	23640	25851	38047	18850	22279	0	28226	31278	0	30403	19953	26174	14408	25480	18630	25533	8878	17249	15827	13296	19902	37179	12808	14967	0	20491	27916	18633	15886	27883	35205	21557	29963	0	22017	19894	0	18278	27044	Lipid	0.52380955	1.5714285	0.04761905
2	C20 H33 O10 N3	476.22388	476.22482	0.10671738	476.2239	11215	9322	11344	11746	3474	42410	9054	12004	5889	1152	8864	8457	5898	3273	7881	496	13169	5568	5064	0	3308	4812	9262	11617	3244	0	0	171670	11103	9126	7554	8634	14572	9624	2768	12534	12977	8230	17478	0	1678	0	0	0	0	1893	952	0	7299	4342	12734	7639	6204	0	8550	2364	2718	9059	1923	0	5032	1383	3156	5928	0	8631	4056	19624	0	1032	0	12685	11243	9005	813	8956	0	7618	7513	884622	7826	0	0	0	5235	3153	8099	6414	6559	26451	110751	50000	14968	50640	514	0	12132	12432	2316	3582	3801	12209	6402	3602	963	6594	5538	0	5186	11394	Peptide	0.5	1.65	0.15
26	C25 H33 O8 N1	476.2279	476.2285	-0.07757329	476.22784	21468	21632	19540	17160	26864	15501	8896	17133	19560	37356	18930	9169	26785	7914	15026	19570	12835	24590	30500	49095	51431	19601	19080	28123	15719	58096	7907	17272	12646	8618	13152	13436	18777	14696	39949	11072	19772	8993	10318	31233	25484	7353	0	0	0	17540	18217	0	16354	10629	20220	18753	15196	0	18020	22170	9915	17033	11522	8066	18739	17986	22870	15679	9590	23540	14394	11599	54396	81717	85256	20174	14914	8512	10065	8282	0	9863	19075	9505	16215	6936	7094	19055	18848	11829	17427	12789	12983	15193	19396	19126	30713	7965	19536	0	21074	21459	12368	19918	17045	15054	7671	18543	9416	18909	14079	0	14782	27755	Lipid	0.32	1.32	0.04
28	C25 H33 O8 N1	476.2279	476.22845	-0.041168198	476.22787	7154	5404	4531	6186	7879	2484	1864	5305	5346	11405	8147	1987	8730	2941	3927	6338	3771	6682	7547	12447	12144	6324	5105	7910	4048	19289	2037	8265	6186	5152	3832	3263	4443	5369	12824	4613	3596	1783	3945	7652	9803	4750	0	0	0	4870	4768	0	5084	6456	4242	6169	5108	0	5551	4769	1528	7620	2058	2416	8335	4577	6662	4905	0	8773	4345	3892	20765	26477	33123	4457	3278	0	0	2523	0	3658	7287	3085	5238	1720	3502	4800	4776	3095	10574	3270	3690	7487	6754	7772	11339	4257	3712	0	6457	6358	2294	6025	6806	5417	1359	3605	0	5353	4466	0	5127	6038	Lipid	0.32	1.32	0.04
12	C25 H33 O8 N1	476.2279	476.2286	-0.006181187	476.2279	19842	21598	25788	22239	11705	13406	19212	30299	9569	48570	17385	12898	9245	8061	15382	27948	24569	13673	23066	57404	56784	30627	17376	26113	17365	33035	16077	25940	28301	20644	24920	21824	26639	17819	71644	20261	27751	16789	23134	33152	32441	14134	0	0	0	25127	19203	0	24464	24329	21987	19635	9891	0	14099	8058	8230	29795	5508	12705	19316	19117	14464	12827	6848	17123	12115	29763	31355	57848	41656	22125	22567	21104	21206	19610	0	19654	18107	0	18615	12798	14600	23613	10739	9047	23428	11250	13689	52104	30648	26661	43942	15843	29569	0	24798	33555	7080	10102	8459	22865	11764	22882	0	20833	7347	0	19291	14804	Lipid	0.32	1.32	0.04
10	C25 H33 O8 N1	476.2279	476.22858	-0.06858857	476.22787	20922	20680	19738	17187	8013	7279	16381	26486	8030	49278	18645	9034	7001	5313	12979	20255	15295	7485	19343	57128	45616	35727	13839	23281	15834	25326	9254	18792	20483	21391	19101	22266	28168	19471	48720	23114	26541	10230	15492	33904	19941	9573	0	0	0	21520	13200	0	23573	20802	19308	23283	10160	0	14773	6072	6954	18842	2159	8566	18026	14395	8642	10909	5266	11799	11524	20644	21738	43498	28720	18601	14991	18941	13252	17441	0	13689	14853	12173	12944	6817	5208	19365	7697	3088	13805	7767	11095	31591	33775	18007	31702	15317	29838	0	21425	22838	6963	7709	5938	23076	12389	26175	0	21075	6884	0	12655	9940	Lipid	0.32	1.32	0.04
8	C25 H33 O8 N1	476.2279	476.22864	-0.06118735	476.22787	15898	15208	12891	15122	4840	4424	5998	18161	4602	30695	10853	9009	4864	3466	10324	15813	11073	7223	11203	36642	38157	17955	8984	18460	11601	13588	8831	13824	15322	14246	14812	16759	16670	11819	36066	17250	17454	8516	14225	21396	16153	5611	0	0	0	16161	10408	0	18116	14702	14707	12720	5592	0	7787	3830	3575	14012	1583	3384	13606	11926	4423	7365	3885	5689	7224	16419	11764	23069	24195	14014	15109	12231	9430	12822	0	11416	11474	8016	7597	5147	3451	17951	3605	4343	8874	5027	6533	16724	16668	15707	26525	11643	24279	0	16366	15017	3790	3278	3756	14833	6978	20959	0	14369	3845	0	9577	6678	Lipid	0.32	1.32	0.04
4	C19 H33 O9 N5	476.2351	476.23596	0.2938198	476.23523	819	1181	1346	1339	0	1042	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17320	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	687	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	221909	0	0	0	0	528	0	0	0	0	0	47128	19097	0	14264	1338	0	997	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47368422	1.7368422	0.2631579
6	C19 H33 O9 N5	476.2351	476.23584	0.28108364	476.23523	0	0	587	0	0	0	0	0	0	0	1519	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9572	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	789	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41523	0	0	0	0	0	0	0	0	0	0	29153	14970	0	6115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47368422	1.7368422	0.2631579
8	C24 H33 O7 N3	476.23914	476.23996	0.14075804	476.2392	7867	5276	8587	7217	1076	3705	4297	8466	2838	6824	3274	3586	2358	2931	9032	8376	4560	1768	3548	8575	6927	11677	6160	12017	10458	1485	0	3688	10547	5801	8416	8689	9296	4965	9370	6256	7802	6876	5125	8249	2868	3564	0	0	0	6560	4782	0	8117	7099	9419	7251	2507	0	4509	8350	2948	9350	0	1243	7106	5298	1500	2739	2154	2046	2543	6119	0	3235	3727	6435	3678	6572	3543	6864	0	4399	5352	7533	5138	2779	4743	3251	1485	0	8483	3652	5170	19045	0	14206	21430	5234	8388	0	5106	5074	914	6096	10008	7506	3081	10599	0	8134	3312	0	8090	1253	Lipid	0.29166666	1.375	0.125
24	C26 H37 O5 N1 S1	476.24652	476.24634	-0.24934785	476.2464	1600	1718	0	968	1121	2037	0	0	1569	1609	0	0	3198	1520	2258	0	0	3798	4131	0	0	0	0	0	0	0	0	23848	3271	0	2960	0	3171	2077	4252	0	5063	0	0	1133	1131	0	0	0	0	0	0	0	2510	0	2995	1107	0	0	4038	0	0	0	0	1390	0	0	3090	1483	0	3458	0	0	0	0	0	1340	2389	3451	0	0	0	0	2161	0	0	725	2917	1605	0	0	0	0	0	0	7199	6972	3895	0	1732	0	2202	2084	0	0	0	1960	1045	2402	1533	0	0	0	0	4336	Organosulfur	0.1923077	1.4230769	0.038461536
20	C22 H37 O10 N1	476.24902	476.24954	-0.16052444	476.24893	23205	23347	25459	20145	13876	20328	23058	35912	31869	24578	6234	9927	40139	13652	47226	18780	3530	43068	40283	20679	8207	17147	26305	25453	38808	5067	13711	12250	39250	23769	30165	30090	38065	28754	36343	31200	45284	23993	4704	9861	3580	13110	512	0	0	11534	0	0	22194	27341	16874	24612	23622	248	65425	17522	10729	29637	40125	2601	23762	8968	27301	30227	14980	26700	22456	5273	2149	6496	3357	26402	29671	38332	7512	23065	0	28344	10936	5462	11458	2807	34886	9511	16735	18936	19198	13414	17507	6381	21765	42189	50404	6373	7972	0	24627	25642	14839	12100	10842	30147	17179	24909	18860	23260	15890	0	15675	39103	Lipid	0.45454547	1.6818181	0.045454547
24	C22 H37 O10 N1	476.24902	476.24945	-0.33910242	476.24887	1600	1718	0	968	1121	2037	0	0	1569	1609	0	0	3198	1520	2258	0	0	3798	4131	0	0	0	0	0	0	0	0	23848	3271	0	2960	0	3171	2077	4252	0	5063	0	0	0	0	0	0	0	0	0	0	0	2510	0	2995	0	0	0	4038	0	0	0	0	1390	0	0	3090	1483	0	3458	0	0	0	0	0	1340	2389	3451	0	0	0	0	2161	0	0	0	2917	0	0	0	0	0	0	0	4750	4491	3895	0	0	0	2202	2084	0	0	0	1960	1045	2402	1533	0	0	0	0	4336	Lipid	0.45454547	1.6818181	0.045454547
26	C26 H37 O7 N1	476.26428	476.2649	-0.07303892	476.26425	43870	37120	41578	38347	51491	26143	15574	44429	44897	49165	48838	20355	57173	24327	28612	45554	28771	43269	64618	77260	87232	43212	34501	46428	38728	125458	16186	53188	41110	36995	34086	36753	49354	38011	59664	42852	54666	18462	22596	56378	47244	28247	0	0	0	40801	35365	0	37364	33546	43823	38068	35939	0	41479	42131	22267	46323	31953	18705	50740	33205	38432	29278	15337	41574	34406	23785	111143	126856	124293	38250	36775	36425	23118	33042	0	26132	35529	25547	27293	21628	22398	47523	42739	22169	41261	25804	28281	39472	44015	52559	60636	26249	33685	0	36190	45137	30678	41967	51330	45477	16085	44043	26972	34588	33019	0	28247	37430	Lipid	0.26923078	1.4230769	0.038461536
16	C26 H37 O7 N1	476.26428	476.2649	-0.099988386	476.26422	20672	22683	18857	21284	4933	5096	15108	16744	2497	12756	10385	16277	4299	4150	10288	27849	27330	2854	5309	23520	15645	24973	12369	22217	15010	13362	12864	9881	20135	21472	21514	25764	24907	25352	12320	24528	28732	15133	34934	13342	16304	9325	537	0	0	11307	17402	0	29817	21532	17871	22527	6733	0	2529	1417	5480	24085	3555	13886	23537	6227	3190	4730	5065	2023	6561	35110	10408	25660	20640	20606	17265	16496	36074	23029	0	9254	14223	13830	8174	2592	4015	12083	2930	5189	18679	8182	8153	366749	31556	13606	174571	9823	19742	0	19345	21442	2770	4727	3573	28456	12062	23593	5571	46740	5476	0	19843	2621	Lipid	0.26923078	1.4230769	0.038461536
10	C26 H37 O7 N1	476.26428	476.26495	-0.06354796	476.26425	7504	10885	5432	8279	1038	2048	9942	13626	891	10092	4556	9026	0	1294	8286	12024	13660	0	3744	16476	11179	11243	6786	11408	9407	8306	6666	5639	16413	14298	14485	17779	26710	12436	11085	12127	33144	6905	18682	10848	3283	3105	0	0	0	3265	5113	0	16688	11408	9995	10232	2816	0	1171	671	1033	13154	0	0	9007	3237	0	1443	975	0	3497	18397	0	9826	8258	12415	10135	15239	13604	13169	0	7773	4411	0	7237	691	0	5252	1322	1840	2514	3380	4767	46857	13635	4643	30147	6575	10378	0	10121	10492	0	0	859	29240	9571	12482	0	17241	1285	0	5827	1304	Lipid	0.26923078	1.4230769	0.038461536
12	C26 H37 O7 N1	476.26428	476.26492	0.003317626	476.26428	8157	9039	7124	7132	1402	2842	8834	18636	2058	7654	4205	5279	1290	1771	7374	8918	27242	2593	4263	21620	18853	13927	6368	10130	8230	6889	5589	15637	17147	11413	13864	16957	27742	14277	17972	13957	18554	8183	28935	13888	0	2663	0	0	0	4393	5097	0	14394	9285	10138	8537	2166	0	3070	0	1652	13707	0	0	0	5740	0	1157	1593	0	2735	38501	0	15192	9757	12822	12361	13066	7480	11140	0	6472	5780	0	4051	1123	0	7509	1473	2873	6032	4700	3680	60375	16387	4083	37500	0	9874	0	10913	15199	1580	0	0	20168	7339	7882	0	16215	1245	0	5824	1847	Lipid	0.26923078	1.4230769	0.038461536
14	C26 H37 O7 N1	476.26428	476.26495	-0.011647691	476.26428	7396	7727	6797	5999	2979	2972	4516	13404	1623	4811	5070	7835	3290	2460	5486	11760	18051	0	3024	14671	17288	6703	6810	6573	8511	7131	6388	7339	9792	12000	13421	13615	21472	9744	11125	9934	17447	5998	18674	9725	4754	4341	0	0	0	9067	0	0	13546	8047	8628	8889	2577	0	1610	2030	1881	12549	0	0	0	1906	2901	1941	1657	4716	3375	21004	0	15618	10108	8880	9689	13142	10989	12448	0	9331	5471	0	3742	0	1269	5394	0	2487	7345	3817	4448	65416	17799	0	26274	4846	9628	0	11671	7671	934	1925	0	18528	6769	6634	0	14884	980	0	6227	0	Lipid	0.26923078	1.4230769	0.038461536
28	C26 H37 O7 N1	476.26428	476.26483	-0.03176009	476.26425	6236	5124	6293	5109	9172	2729	3886	4209	6520	8554	8509	2403	8298	3910	0	7015	4768	3076	6869	7832	9504	3361	3665	4099	3522	25388	3052	7832	3827	4247	4931	6055	5841	6074	8333	3767	6175	2516	5114	7438	6487	4482	0	0	0	3908	2405	0	4439	3860	4322	4545	4832	0	6374	6459	1852	7368	2687	3546	3522	3991	5011	4190	2157	8007	4333	4785	22453	22257	29614	3361	4081	3157	0	5111	0	3423	5094	2843	4578	2842	3016	5851	8316	2383	7473	3159	3768	9165	6133	6075	8510	2384	0	0	4796	3620	2497	8757	14159	6720	3727	5665	0	6948	7608	0	4909	4562	Lipid	0.26923078	1.4230769	0.038461536
8	C26 H37 O7 N1	476.26428	476.26505	-0.018815419	476.26428	6105	7383	5644	7446	669	1722	4917	9537	0	5214	4520	6616	1050	0	4186	9453	13747	0	2053	8689	6224	4943	3123	9965	6223	3502	6614	0	9538	9887	12568	12105	21163	7937	6130	10419	22423	5895	16853	4096	1440	2533	0	0	0	3761	4430	0	10951	10930	5946	8129	1245	0	0	0	1069	9463	0	0	8501	1838	0	0	0	0	2331	22685	0	6296	3096	7966	8018	10379	9574	9128	0	7745	3934	0	5864	0	1039	3863	848	0	3285	2640	1581	17927	0	0	13180	2130	5006	0	9325	8906	0	0	0	19798	6141	7751	0	12767	0	0	4894	0	Lipid	0.26923078	1.4230769	0.038461536
10	C19 H41 O12 N1	476.27014	476.271	0.0789104	476.2702	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1378	0	0	0	0	0	0	0	0	1013	0	332	0	0	0	0	0	0	0	0	0	0	0	0	0	5547	0	0	1195	0	0	706	0	0	0	0	0	0	1387	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49707	0	0	0	0	0	Unclassified	0.6315789	2.1578948	0.05263158
4	C20 H37 O8 N5	476.27148	476.27203	-0.035606474	476.27148	443	663	0	0	0	1884	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19396	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	756	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	161520	0	0	0	0	0	0	0	0	0	0	63290	17544	0	6701	0	0	742	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.85	0.25
6	C20 H37 O8 N5	476.27148	476.27228	-0.050859004	476.27145	1398	0	0	1898	0	4333	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7778	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	103035	0	0	0	0	0	0	0	0	0	0	78190	45854	0	6399	0	0	0	881	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.85	0.25
2	C20 H37 O8 N5	476.27148	476.27203	-0.04207603	476.27148	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22136	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	112089	0	0	0	0	0	0	0	0	0	0	18898	7794	0	5651	0	0	0	0	0	0	0	0	304	0	0	0	0	0	0	0	Peptide	0.4	1.85	0.25
0	C20 H37 O8 N5	476.27148	476.27216	0.041309763	476.2715	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6499	0	0	0	0	0	1642	0	0	0	0	762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2134	2669	0	2276	0	0	0	27982	0	0	0	0	0	0	0	0	0	0	30130	6827	0	960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.85	0.25
12	C25 H37 O6 N3	476.2755	476.2762	0.110971466	476.27557	0	0	0	2677	0	0	0	1885	0	0	0	0	0	0	0	0	0	0	0	2358	0	0	0	0	1124	0	0	14776	0	0	0	0	0	0	0	0	0	954	0	0	0	0	0	0	0	0	0	0	0	3074	1667	0	0	0	0	0	0	0	0	0	29361	0	0	0	0	0	0	0	23877	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2635	3219	0	0	0	0	2023	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.24	1.48	0.12
16	C29 H42 O1 N1 S1 Na1	476.29575	476.29697	-0.80858934	476.29538	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2005	0	0	0	573	555	0	0	0	0	0	0	0	0	561	0	0	0	0	13286	0	0	3492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	634	0	0	0	0	0	0	0	0	0	0	0	0	0	16039	0	0	0	0	0	0	0	0	0	0	0	0	0	329506	0	0	0	0	0	Organosulfur	0.03448276	1.4482758	0.03448276
16	C27 H41 O6 N1	476.30066	476.30118	-0.031354446	476.30066	0	2632	2138	1452	0	0	1562	3409	0	0	1751	2398	0	0	2435	2091	4188	0	0	2187	0	1824	0	2225	5394	1430	5286	0	5643	6625	5228	5950	9210	5646	2482	4322	6566	2160	2218	1374	0	0	0	0	0	0	0	0	9577	5293	2270	1641	0	0	0	0	0	5877	13161	4087	6957	1121	0	0	0	0	1439	1920	0	0	0	3326	3130	4605	1786	3760	0	4479	0	0	0	0	0	0	0	0	2417	0	0	0	6954	0	94217	0	0	0	1903	0	0	0	0	5010	3765	0	12049	25317	0	0	1290	0	Lipid	0.22222222	1.5185186	0.037037037
14	C27 H41 O6 N1	476.30066	476.30124	-0.035370365	476.30066	2230	1651	2211	2779	0	0	2081	11507	0	0	0	1772	0	0	3191	8577	0	0	0	1735	0	0	2211	5791	5756	0	4897	0	9481	7572	9817	8775	8427	6323	0	5043	5221	1975	1703	0	0	0	0	0	0	0	0	0	6721	5458	1593	3956	0	0	0	0	0	6099	0	0	0	0	0	0	0	0	0	3193	0	0	0	6167	4762	7970	4021	5026	0	4713	1605	0	0	0	0	0	0	0	0	0	1098	24136	5177	0	164809	0	0	0	3882	5084	0	0	0	6981	3351	2043	0	36815	0	0	0	0	Lipid	0.22222222	1.5185186	0.037037037
12	C22 H46 O6 N1 S1 Na1	476.30164	476.3027	0.49413744	476.30188	3275	0	3730	1431	2918	1264	0	5368	0	0	0	1146	0	0	2769	3713	0	0	0	0	0	0	0	3574	3085	0	0	0	5073	1407	4639	2599	5393	6498	0	4412	2274	3506	3531	3635	5076	0	545	0	0	0	0	0	3582	39142	6536	0	0	0	0	0	0	3822	9920	0	0	0	0	0	0	0	967	0	0	0	4750	2334	3274	5448	2215	4075	0	2018	3817	0	1338	0	0	0	0	0	0	897	1109	11153	0	0	51463	17375	0	0	1935	0	0	0	0	18076	1313	36647	0	12511	0	0	1512	0	Organosulfur	0.27272728	2.090909	0.045454547
12	C25 H38 O1 N7 Na1	476.31082	476.31155	-0.15933922	476.31076	24694	162338	0	0	0	4416	0	0	0	0	0	0	9262	0	4044	0	12556	0	0	0	44117	84806	0	0	0	0	0	967528	0	0	3268	0	0	24732	7542	2206	0	0	10666	84852	0	0	15514	0	0	207224	0	0	0	65149	313200	0	0	0	0	0	1642	0	0	114960	0	0	0	0	0	0	0	0	216332	5640	0	6894	0	15708	0	11905	0	0	0	149776	0	0	1668	0	0	1760	0	0	0	0	29856	0	0	0	0	0	20230	0	228785	0	0	59222	0	0	0	0	0	0	0	0	Unclassified	0.04	1.52	0.28
12	C29 H42 O3 N1 Na1	476.3135	476.31415	-0.41828826	476.31332	0	0	2328	0	0	0	0	0	0	0	0	950	0	0	0	0	0	0	0	0	2661	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4012	0	0	34771	0	0	0	1811	0	0	0	546	0	0	0	0	0	17191	0	0	0	0	0	0	0	0	0	0	8940	0	0	0	0	0	0	0	0	43043	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12524	0	0	0	0	1097	0	0	0	0	0	0	1631	Lipid	0.10344828	1.4482758	0.03448276
24	C24 H45 O8 N1	476.3218	476.32175	-0.03611775	476.32178	0	0	0	0	0	0	20167	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7521	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2847	1472	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1507	0	0	0	0	0	Lipid	0.33333334	1.875	0.041666668
18	C21 H16 O13	477.06638	477.06708	0.118639745	477.06644	10621	12837	13014	15126	43502	14408	2722	1672	48445	7611	5858	2137	91289	13788	4098	1798	0	42713	37149	7915	10728	33827	9140	2714	1783	1265	1894	0	0	0	0	0	3497	0	11324	0	3069	4552	0	3573	9269	5365	509	0	0	13697	29151	727	0	0	15905	15083	25002	0	43815	48313	16808	1358	2898	3098	2710	11144	83862	48201	17053	49394	8463	0	1767	0	0	0	0	0	0	0	0	1153	15482	23454	10862	21141	0	0	59370	15631	12847	9360	7549	0	0	5032	3826	44400	26666	0	9263	12076	39468	58732	58249	3350	2626	0	24499	3173	38595	0	1186	75780	Phytochemical	0.61904764	0.7619048	0.0
20	C21 H16 O13	477.06638	477.06705	0.16263677	477.06644	19076	27542	25636	14024	60596	27870	0	0	86080	11244	10824	5230	150238	22236	5660	8728	0	61368	50104	9810	13300	49280	12250	3848	0	0	5022	0	0	0	0	0	6990	0	19760	0	3586	9386	0	5886	9912	11384	2494	0	0	17340	50724	3176	3266	0	16880	15544	29806	0	75584	82745	24498	3148	3706	3970	3294	15764	135408	68572	20036	81992	20398	0	5634	3608	0	0	0	0	0	0	890	3278	33334	30068	24090	27628	0	0	96768	32296	13738	15358	13570	0	0	3576	0	42004	38306	0	16296	13040	53400	103600	83406	3112	2532	3172	37678	3396	55348	0	3176	119044	Phytochemical	0.61904764	0.7619048	0.0
12	C21 H16 O13	477.06638	477.06717	0.06725521	477.0664	5972	6798	2271	4901	16519	4345	0	0	20814	3237	6366	998	21711	1694	0	0	0	10595	13943	0	5241	11135	1853	0	0	0	0	0	0	0	0	0	0	0	10138	0	1400	1536	0	1957	7735	2673	0	0	0	3558	16827	0	0	0	8575	7274	7677	0	8344	19192	7790	0	0	0	0	2789	43605	18452	6232	18835	2625	0	0	0	2645	0	0	0	0	0	0	902	6538	0	5154	6241	0	0	25007	3179	2144	3605	2558	0	0	0	0	22069	5656	0	7257	4054	19532	31131	25454	0	2856	0	0	0	15037	0	0	27375	Phytochemical	0.61904764	0.7619048	0.0
14	C21 H16 O13	477.06638	477.06714	0.10099921	477.0664	11253	12141	10854	11073	30581	8068	0	0	34743	7227	11010	2649	45754	8608	1637	0	1751	22413	25193	6064	11334	52017	6660	0	0	0	1577	0	0	0	0	0	1578	0	22994	0	0	5468	1504	1901	10604	5518	0	0	0	3871	34042	448	0	0	10405	10566	17049	0	25397	29961	14168	0	0	0	0	7170	62896	37254	11043	37934	8077	3060	0	0	2755	1042	0	0	0	0	0	2825	12047	27675	8973	13991	0	0	45286	11441	7062	9056	4617	0	0	3269	3247	50713	17818	0	13062	11445	36820	52574	45510	0	3504	0	0	3009	24631	0	0	56362	Phytochemical	0.61904764	0.7619048	0.0
26	C21 H16 O13	477.06638	477.06696	0.10509672	477.0664	6595	4920	5587	2721	14213	7366	0	0	16945	3599	0	0	38824	6434	0	0	0	21791	15924	0	0	6491	0	0	0	0	0	0	0	0	0	0	0	0	4567	0	2169	0	0	1942	4275	0	0	0	0	0	9019	0	0	0	5658	2998	8634	0	19210	18947	2876	0	0	0	0	0	34120	18185	4035	16885	0	0	0	1592	1841	0	0	0	0	0	0	0	8580	0	5758	4335	0	0	18263	8603	2504	2837	0	0	0	0	0	5460	10085	0	6925	0	8720	17799	18858	0	0	0	0	0	9761	0	0	35535	Phytochemical	0.61904764	0.7619048	0.0
28	C21 H16 O13	477.06638	477.06702	0.18044929	477.06647	6437	6444	6743	5894	14745	7858	1985	0	13743	3542	1367	1453	36244	7740	3112	0	0	22457	16239	2975	5079	6808	3216	0	0	0	0	0	0	0	1025	0	2357	0	5895	0	1315	2273	0	1561	3586	0	0	0	0	3619	7868	0	0	0	6398	5462	6792	0	21179	16813	3603	0	0	0	0	2819	32736	15177	4664	17273	3838	1122	0	0	0	0	0	0	0	0	0	1660	8813	5384	7145	2770	0	0	20031	7755	4409	3261	3707	1077	0	1016	2028	7694	7386	0	6362	7467	8044	14119	18032	0	1523	0	4662	2029	10722	0	1260	32151	Phytochemical	0.61904764	0.7619048	0.0
22	C21 H16 O13	477.06638	477.0671	0.097253636	477.0664	7729	6722	11223	4771	29384	11549	0	0	25480	4241	3174	0	45720	8546	3278	0	0	25896	19826	0	4013	14447	7345	1533	0	0	0	0	0	0	0	0	1792	0	5081	0	0	4612	0	1921	4845	2281	0	0	393	8663	9834	0	0	0	9153	6834	12034	276	30678	23451	6410	0	0	1796	1610	8340	45610	28063	3666	31648	6466	0	2836	0	3695	0	0	0	0	0	565	2379	7795	9429	8002	7262	0	0	32211	11089	5884	2602	3083	0	0	0	2128	18419	13520	0	6599	7687	22586	33296	27888	0	0	0	10405	0	21682	0	0	52764	Phytochemical	0.61904764	0.7619048	0.0
24	C21 H16 O13	477.06638	477.06705	0.14613599	477.06644	7448	7507	4047	5617	17228	7682	0	0	18782	6563	2116	938	39410	4486	4317	0	0	17532	15945	2171	5682	11272	4355	1275	0	0	0	0	0	0	0	0	2122	0	4644	0	1191	2290	0	0	3983	1789	0	0	0	2675	7466	2200	0	0	4832	5801	8773	0	21128	18295	4038	1301	0	1336	1095	2154	33151	18622	4374	17919	2492	0	2345	2129	2015	991	0	0	0	0	0	0	5899	4951	6314	4836	0	0	30464	7099	2675	1943	4368	0	0	2878	1744	13377	7285	0	4481	3841	12768	20411	20690	0	0	0	7049	0	14593	0	0	34135	Phytochemical	0.61904764	0.7619048	0.0
26	C22 H20 O12	477.10275	477.10342	0.12796038	477.1028	9327	7943	7386	6883	14013	8824	0	0	18890	13638	3362	0	32109	6756	0	0	0	24485	14001	12318	10447	14991	0	0	0	0	0	0	0	0	0	0	1965	0	19102	0	0	0	0	6439	5921	0	0	0	0	13104	17423	0	0	0	7647	5254	6811	0	18318	16670	4400	0	2467	0	0	4696	30644	16038	2584	15836	4932	0	0	7764	9525	0	0	0	0	0	0	0	9469	5210	8224	10916	0	0	17481	0	5886	2558	2563	0	3331	2235	0	12927	20354	0	6357	7920	10384	14421	10271	0	0	0	11735	0	11454	0	0	29722	Phytochemical	0.54545456	0.90909094	0.0
10	C22 H20 O12	477.10275	477.10355	0.090384535	477.10278	19599	23983	16024	16534	27093	15055	5352	5632	34323	48901	40711	10541	41643	12578	6187	9551	10188	26305	28649	28332	41812	45481	17517	5533	2164	9992	5765	9956	5025	4233	4227	6416	6949	5206	64378	4156	9383	8346	10004	22542	33270	7193	0	0	0	26113	63711	0	8026	6505	21584	20672	18361	0	26244	29483	11788	9005	5986	13872	0	18262	50180	36395	13692	32207	10769	10881	25231	16851	34593	6004	5117	3529	7877	6221	0	6551	21678	21792	17922	27365	4301	5973	39817	14811	20377	11313	10471	12144	0	5936	6897	48514	44665	0	16981	23274	39128	40217	35701	8018	7515	7044	30042	8789	30405	0	5224	41173	Phytochemical	0.54545456	0.90909094	0.0
22	C22 H20 O12	477.10275	477.1034	0.07718987	477.10278	21280	21240	20698	25751	41477	27613	3002	5799	52087	59281	13455	5140	64753	13490	7429	0	1533	55733	36125	25254	31196	43905	15647	4932	5635	6172	2381	6688	3236	0	4153	0	7983	4258	53310	2160	5123	8360	3079	22630	12903	5513	0	0	378	39238	66967	0	1754	1730	22804	17221	25947	342	47158	40075	14199	3169	7696	3232	5577	23667	74653	42665	11834	48499	12279	2478	12934	13563	12182	2808	2311	0	1872	2033	605	6262	20531	24618	15260	38813	3947	10790	45171	23407	13664	7552	10503	2200	5950	16877	4999	44448	55222	0	23022	24086	32589	45138	37875	4416	5613	6148	47290	3997	32427	0	6066	78919	Phytochemical	0.54545456	0.90909094	0.0
16	C22 H20 O12	477.10275	477.10342	0.026639525	477.10275	90493	91203	81480	87360	127034	75875	28241	22856	149151	228045	101963	27694	229398	49466	42175	30059	17628	154911	157226	120570	161428	204912	54291	38512	25129	29499	22232	46405	19333	18384	29158	20821	34854	18027	277666	23970	48340	39024	20160	95554	94688	40102	2230	0	0	152372	223149	618	34100	17480	91250	89829	74154	374	142317	115273	51707	33887	38422	21205	35549	74411	221649	124653	45370	144026	56255	18496	57405	68680	70044	21104	19565	10631	16244	21696	422	27348	71647	128129	58873	170429	26250	45216	128313	70815	51967	34837	51000	35640	31403	56400	69374	196072	184579	596	96333	77328	118821	119562	116686	38132	30177	38323	145902	31383	101893	0	23437	211977	Phytochemical	0.54545456	0.90909094	0.0
20	C22 H20 O12	477.10275	477.10336	0.0203835	477.10275	48835	44500	50327	49491	85766	54330	14628	13110	99846	91562	40544	10639	164885	38202	20691	10832	5695	101719	82913	66386	65577	102119	28006	18098	10585	13822	8581	15863	9923	3497	14000	3489	12851	6495	112180	6371	18011	16468	5151	55866	29180	22869	2849	0	0	83428	103983	1147	9429	5921	46222	47238	54358	667	99629	67251	31621	12058	16384	8400	13977	41873	144368	80969	27987	99176	31230	5635	28626	39758	30615	7244	5957	3342	5555	5817	620	13673	46246	65771	33978	87484	9907	23172	94548	43050	30841	19301	21645	6360	22919	30621	20622	94901	87089	0	51133	47527	69945	69516	76764	9272	8530	15748	91597	15139	62437	0	13924	144524	Phytochemical	0.54545456	0.90909094	0.0
24	C22 H20 O12	477.10275	477.1034	0.1368931	477.1028	7466	11931	10339	7772	21089	14084	0	1938	25927	29638	6415	1432	51235	11107	4420	2754	0	29453	26751	11851	16173	24945	7022	3849	0	4109	0	3793	1191	1148	2554	0	1614	1857	35277	0	1448	5538	1382	9679	7454	2793	0	0	0	24299	30100	0	1565	0	9913	7280	12516	0	28888	21739	8091	1686	2211	1090	1444	10521	43713	22554	4366	22900	6185	0	6511	10584	9711	1199	1189	0	1450	0	0	2194	15108	16027	8510	21918	1188	6748	28434	17626	6520	2321	6931	0	2036	4570	3108	22236	33903	0	11599	9582	13563	20353	21945	0	2169	4225	20773	2179	18910	0	2266	46444	Phytochemical	0.54545456	0.90909094	0.0
14	C22 H20 O12	477.10275	477.10345	0.024196137	477.10275	82120	81991	73422	69060	100951	61405	20838	22740	120322	212952	124244	30903	171715	48267	39894	41173	22123	123578	112428	113938	125702	194759	47032	34923	15277	25383	22102	58087	17693	16457	20283	17419	33643	16667	251800	16699	30666	35371	19913	71630	102394	37272	0	0	0	130662	223879	380	25611	21020	73259	67957	54957	0	105207	90753	48197	41799	47080	27122	28390	76158	181653	103326	46183	117931	48455	24570	64600	59099	72348	22005	15896	12023	17605	19225	0	27413	65709	105589	52540	143369	18720	33002	102453	52907	57769	41566	43714	37354	27818	40894	39943	189413	173400	0	78801	70393	102039	114457	97700	31378	25259	37250	185638	37569	89311	0	26999	148885	Phytochemical	0.54545456	0.90909094	0.0
18	C22 H20 O12	477.10275	477.1034	0.035241324	477.10278	82632	71462	76543	69625	121163	77334	17300	21541	126255	181875	71466	22750	250718	53145	41717	24250	11612	142397	141595	123486	116960	169367	51846	29839	17946	23371	21425	37840	18097	11730	20368	21858	31473	20368	200078	12596	40242	34363	10109	77911	57638	35909	2687	0	0	139005	174615	1179	17533	18327	79426	72407	78064	525	162720	101190	49861	29249	36824	15960	28266	68024	215914	115818	44666	143670	50976	13538	43922	54278	50860	18567	10966	7570	10563	13285	460	26967	62767	95660	51706	155220	15199	34007	126279	69797	49945	30310	46372	14446	26467	54621	37414	153312	161472	0	72198	62162	109845	123989	99082	26812	23369	32947	124379	28993	87417	0	19601	199516	Phytochemical	0.54545456	0.90909094	0.0
22	C21 H20 O11 N2	477.11398	477.11447	-0.23521043	477.11386	3806	1639	3268	2353	4499	0	0	2328	2693	2733	1700	2123	6188	0	1275	0	2755	0	4290	0	2352	11455	6014	3266	1181	2006	0	0	0	0	2937	0	16779	1871	3609	1154	2498	1287	0	4333	4227	1825	0	0	0	12594	20176	0	1931	1810	2646	2886	2816	0	5276	3197	1720	2443	0	0	0	3304	5296	3004	2691	2464	2857	1265	0	0	0	0	0	0	0	0	0	5093	2923	7439	2354	7890	0	0	5911	2840	2270	1639	2533	0	0	0	0	8930	8419	0	5314	2610	1487	3658	0	9483	3786	0	12977	1579	2644	0	1984	9987	Phytochemical	0.52380955	0.95238096	0.0952381
12	C21 H20 O11 N2	477.11398	477.11475	0.053966127	477.114	26695	19509	24287	20534	26972	10517	7354	10392	30501	44749	31299	8875	37482	6231	9367	7902	12116	36275	28082	33520	57263	72102	14913	9311	4366	5615	5883	0	4857	7255	6987	7694	16518	7763	79498	3969	11034	7793	14114	41100	91986	9278	0	0	0	61296	138223	0	9019	6150	25450	21638	18973	0	41280	23529	10162	9329	9577	10797	0	42416	58789	32706	11194	28478	11969	16818	16826	12509	23762	8071	7828	6460	6528	5094	0	8745	14449	25601	10829	51559	4639	14164	34447	11219	18538	11901	12324	25902	8672	15408	18939	62949	43475	0	23882	22970	21003	24658	26296	13702	12477	13153	65297	14288	21168	0	5239	58811	Phytochemical	0.52380955	0.95238096	0.0952381
14	C21 H20 O11 N2	477.11398	477.1147	0.053313814	477.114	28323	28626	19827	30572	23780	15433	6641	7319	30088	55190	28129	11842	48669	8257	10483	9343	8271	35735	27330	27186	57121	93038	17395	7220	6404	4818	4802	13469	7431	2626	4331	6776	11859	6051	87084	7000	14868	9080	9925	44475	72448	11689	0	0	0	78069	143087	0	8325	10752	22910	22261	17148	0	33881	25466	11565	5953	15744	15498	0	54055	63743	39687	14307	30912	14687	12349	23592	18518	28449	5769	7824	2521	9229	5476	0	7028	15502	44290	15957	65874	6168	22974	34121	16732	13155	15235	16758	19791	12469	18939	22499	74725	61552	0	25235	28688	21885	28851	27342	12891	6291	10377	87564	18670	23606	0	8640	56078	Phytochemical	0.52380955	0.95238096	0.0952381
18	C21 H20 O11 N2	477.11398	477.1147	0.10063224	477.11404	13048	11112	8431	15175	12884	9384	3728	3170	16896	21447	10984	4066	31518	5370	4825	2624	5552	17064	15462	18430	29556	42671	5479	5438	3244	3205	2880	4888	3386	3215	0	0	4858	0	41156	0	6009	6374	4629	26172	30271	5580	0	0	0	36874	64698	0	1844	3555	11295	16475	9027	0	20359	14444	6494	3741	5119	5853	5178	20272	33421	16990	6119	17692	8001	3534	5753	5481	6955	2403	2395	0	2015	0	0	4013	8769	27521	7005	41320	2092	10558	14004	7218	14527	6687	6946	10811	8113	11118	11511	38185	35355	0	10140	16119	9983	15891	12348	5957	4503	5779	32636	7324	10483	0	4861	27017	Phytochemical	0.52380955	0.95238096	0.0952381
8	C21 H20 O11 N2	477.11398	477.1148	0.083969064	477.114	7628	7280	5448	5279	8827	2088	768	1656	13217	11294	12781	2600	14978	1470	2968	3011	3026	10704	9416	10758	19062	22227	3770	3731	0	970	1398	4206	1718	1753	2775	1455	3051	1041	24801	1170	2954	3006	2759	11863	25765	4063	0	0	0	15984	38951	0	2619	2544	7288	7014	5951	0	12916	9280	3659	3202	878	3082	4354	8536	24163	18755	3867	11625	3964	4064	6335	2639	7409	2333	1758	1695	0	1901	0	1603	5131	9233	3143	10883	1764	1173	10979	0	3181	3949	5981	4518	0	0	5671	19659	16353	0	7382	6869	8247	12972	12659	3944	1681	3058	25055	3540	8179	0	1315	20316	Phytochemical	0.52380955	0.95238096	0.0952381
10	C21 H20 O11 N2	477.11398	477.11478	0.089401156	477.114	17356	15171	14961	14356	16928	6519	2327	7197	20192	36677	17266	6046	33773	8938	4513	4976	7919	21288	20324	21743	40784	49047	9004	8056	1149	2689	3393	4815	2829	6344	3163	4172	8021	3066	49603	3214	9044	5256	7650	26885	45595	6492	0	0	0	35357	89905	0	5780	3917	17789	17086	12752	0	28924	18443	7673	4816	7612	8339	0	19009	44738	25366	6668	22554	10827	10035	12551	6392	20922	1920	3111	3429	5468	4101	0	5014	9766	22891	5765	32630	2732	8479	20360	8768	9422	9342	7735	10718	0	6116	17165	48839	31581	0	18922	12724	15565	24766	17574	11133	7073	6592	51624	7841	15463	0	3289	36730	Phytochemical	0.52380955	0.95238096	0.0952381
16	C21 H20 O11 N2	477.11398	477.11465	-5.86042E-4	477.11398	19073	16369	22655	26913	19911	10776	4928	8748	22624	53688	23191	7700	43412	5378	12087	6573	9456	23135	28076	27737	45214	63491	8531	11476	4615	4033	4089	8282	3206	4492	9749	0	11903	7795	59378	5328	12769	9382	5316	46571	53275	10138	0	0	0	66732	81755	0	6773	4760	18766	24342	17006	0	35228	21524	9926	6282	7676	8970	7446	34218	45618	26693	8875	28589	13013	8563	10960	9760	14760	4456	2652	3469	6676	4358	0	6622	15599	38595	12779	57032	6032	15728	30426	11036	12429	11029	9761	0	11348	19449	0	55121	57499	0	18126	15431	18260	20789	20226	10027	4442	9438	44370	0	17977	0	8289	58711	Phytochemical	0.52380955	0.95238096	0.0952381
20	C21 H20 O11 N2	477.11398	477.11456	-0.01760905	477.11398	4317	4843	6607	5879	6787	6900	1288	1513	8499	11213	2816	2173	16943	2914	3958	1989	1495	5382	5914	5865	14918	29043	4964	3025	3298	2141	2273	1959	2273	2970	1475	0	3870	1757	17020	2709	2290	2196	2732	9760	8648	2986	0	0	0	25623	35371	0	2765	1865	4798	5413	4547	0	8095	8570	0	2794	2012	1966	3454	11317	12529	12270	3070	10311	2519	1325	3559	3557	2527	2243	0	0	1862	0	0	4106	3124	11529	3046	18652	1843	0	10105	3792	3213	3055	1303	2395	4533	4656	6339	22440	26139	0	7353	6010	6381	5377	5138	3163	3473	2170	24488	2075	6026	0	2590	22760	Phytochemical	0.52380955	0.95238096	0.0952381
10	C23 H24 O11	477.13913	477.13986	0.022451017	477.13916	42320	41757	33525	33889	27753	19422	24004	27181	35322	183796	54313	24309	30992	16700	23346	33350	21918	24369	33316	67512	139938	50006	26839	25958	10698	42665	25518	32676	22173	28247	25791	30226	31071	26164	206214	24586	23690	24513	30602	52034	58969	18811	563	0	0	60781	175650	0	33932	24893	40125	40788	22245	0	31916	25597	18054	25781	28098	31732	27230	36705	39565	28533	19362	27543	19759	34330	50468	49602	67172	29035	27941	23814	24323	26970	0	20479	39952	33484	30922	87308	19947	32280	31835	19528	32949	17468	18653	31876	14202	21379	28354	49425	97466	0	36038	33271	33668	33612	24941	24425	19877	32994	61433	20559	23433	0	19474	34075	Phytochemical	0.47826087	1.0434783	0.0
28	C23 H24 O11	477.13913	477.13968	0.024881758	477.13916	8964	8876	6717	6804	6985	6524	1303	2806	9208	25091	4518	1593	22497	5920	3662	3572	0	13110	8580	14520	16282	9676	5199	5358	5960	7672	999	3331	2071	0	2032	1116	2843	1818	23705	0	3101	2019	1845	9404	6119	0	0	0	0	13708	13886	0	1131	0	7491	7076	6096	0	14849	8537	3452	3460	1789	1488	2745	6665	17279	8452	2491	14117	3377	0	8330	18784	14416	2544	1518	0	0	1475	0	1224	6744	5569	6419	9381	3077	6347	15035	4622	4764	3859	4809	0	5847	4742	1868	7101	11653	0	8033	5443	6912	8097	8885	2756	1703	3336	7536	2839	8187	0	2337	17270	Phytochemical	0.47826087	1.0434783	0.0
16	C23 H24 O11	477.13913	477.1398	0.032504182	477.13916	250346	243180	221249	235453	213705	153978	112475	153491	259169	1320090	281357	97931	305065	117665	142862	140395	84535	283586	283466	484852	428482	756072	163912	153401	118899	255205	94405	201974	139141	118194	163008	160906	183218	121173	1679734	135759	163718	131183	101850	671404	533910	96199	5376	577	0	869530	905602	700	168311	138610	253231	228946	160353	582	254547	165033	98480	164231	162101	98646	170836	432708	332746	204904	89637	245047	137225	106616	263266	400087	354002	152932	142720	133120	80325	130843	417	110526	189103	224050	139928	796830	115805	233968	214489	120523	141641	93963	122898	121458	138889	192251	202313	544386	715516	1330	232896	223512	216893	176043	174741	138836	104035	154792	358998	153806	175106	915	120556	312896	Phytochemical	0.47826087	1.0434783	0.0
8	C23 H24 O11	477.13913	477.13995	0.03637077	477.13916	12336	10679	10243	12510	4141	4928	6792	8518	11254	51530	15195	7536	11986	5322	6633	12232	7811	6948	11355	20495	44582	10812	7457	11062	2166	9794	6534	3891	6592	6549	6053	8940	10824	7790	62446	5939	6727	7197	10931	13271	18663	5814	0	0	0	14444	45000	0	7932	7290	11426	11113	5777	0	8630	6655	6460	8464	7273	11644	10934	10691	13425	9283	5657	9072	3914	11865	14868	13600	29706	7730	8077	7645	7659	6990	0	7681	12163	6382	10260	22312	5190	8214	10955	4963	10328	5911	6162	8018	0	0	8955	10471	16423	0	12131	15134	9971	12108	9214	8238	5379	11246	15111	7643	11542	0	5507	9547	Phytochemical	0.47826087	1.0434783	0.0
18	C23 H24 O11	477.13913	477.13977	0.02440996	477.13916	247490	212694	211306	199614	226440	161802	84391	131229	248162	613610	241125	80402	375732	115607	136074	111155	58008	297540	288781	461201	401177	340140	138902	131606	113474	222912	81290	183742	122029	96111	124524	140284	151700	115994	739937	122889	153816	108679	81730	681096	212388	93087	5888	659	446	863020	702110	579	129711	110919	215739	210644	171453	1233	290239	187298	102794	127408	140142	63302	119394	441056	351487	218000	91798	240027	135553	90077	195572	369171	303137	127551	95036	105721	59705	117152	467	102723	171189	175277	142950	364380	97215	197505	208033	130795	140184	91952	118565	90928	127022	191844	150065	219597	669486	1231	234045	186707	219202	183893	174177	110804	88635	133584	276786	101261	165703	1114	97625	331902	Phytochemical	0.47826087	1.0434783	0.0
20	C23 H24 O11	477.13913	477.1397	-0.032105666	477.13913	131822	145054	132083	128235	156903	128734	46296	88409	182046	379686	132850	49978	243457	92102	76881	67003	34554	194353	185691	266316	243479	207197	86128	77891	57147	151061	36979	102057	67236	49901	57844	58800	79700	58808	384161	46207	92084	63101	39437	176971	108725	52301	5808	748	532	283367	237429	885	68204	52849	131221	138162	108418	977	196910	136196	64014	72136	86200	35484	71642	132039	251256	146871	63201	152728	87682	37326	120459	237916	186395	72649	54017	52553	39518	53189	702	57617	103192	100527	87125	192525	58242	138845	142973	89250	94464	50041	70188	37799	82052	101316	94219	145210	172583	1151	132691	116602	144306	129047	129301	71111	48834	69127	202254	56454	120773	678	53361	286769	Phytochemical	0.47826087	1.0434783	0.0
24	C23 H24 O11	477.13913	477.13974	0.07090397	477.13916	29989	18645	22223	22627	35146	20413	3009	6111	40982	71204	23445	5480	70085	16122	14257	9211	2983	43799	37964	37483	50992	38243	16332	15149	10067	23141	4429	9532	6514	4645	8739	5368	7360	6153	72580	4446	9708	9469	3893	36040	18289	6569	0	0	0	45532	53675	0	6125	6285	28480	21075	17013	0	44668	32263	13098	12335	10903	4638	8390	23883	59824	30740	13460	41403	10869	5589	22359	55070	41753	6789	4634	3442	0	6424	0	11150	26110	15991	16954	36972	6532	18324	47990	21356	14679	8000	11189	7425	9493	18584	11900	32026	47887	0	21047	23545	29142	32214	26978	7463	7571	10286	37793	7784	26085	0	8260	54850	Phytochemical	0.47826087	1.0434783	0.0
20	C22 H24 O10 N2	477.15036	477.151	0.033474144	477.1504	19285	14535	13162	11747	15023	13757	6822	8499	16802	37636	15287	6929	24234	7547	9170	10829	5845	16689	14407	31596	19437	32804	11495	13735	10718	1655	8492	9619	12242	5587	11081	7971	10678	9215	37144	5439	20824	9576	7091	22289	17924	8835	0	0	0	28758	26864	0	12977	8235	15993	10559	14697	305	17385	12376	6454	14251	12636	5934	9575	23981	16053	13821	9042	19387	12762	6502	7919	10501	13632	11366	7061	5938	8097	6119	0	9483	13995	18155	11639	21988	8219	18106	13273	6620	16338	10673	11236	13710	12855	20948	24670	22394	30284	0	19657	19233	7673	11091	7867	10484	6906	15650	28059	10913	14596	0	13155	31336	Phytochemical	0.45454547	1.0909091	0.09090909
10	C22 H24 O10 N2	477.15036	477.1511	-0.008662911	477.15036	70537	70646	64474	62702	43435	28494	34872	53582	44947	150406	75763	40021	69244	21357	36888	51635	47666	56062	58846	114355	140740	135202	43637	59223	27162	29960	33107	50048	45636	47738	46453	51573	64364	44074	172617	43951	60544	35824	54086	125271	123835	30245	0	0	0	135257	158551	0	54849	47771	69215	58083	37610	0	66265	36897	23040	57013	52607	53121	56304	84666	68481	51841	26901	49018	35749	56086	54233	69248	80277	50487	52291	41497	40154	44562	0	34846	47069	71289	39182	90355	37206	52423	45976	26243	47304	36885	38775	68612	50598	58823	75319	88901	123639	0	69572	70537	36152	45984	40642	51139	34615	69851	116364	57116	35324	0	40286	68150	Phytochemical	0.45454547	1.0909091	0.09090909
18	C22 H24 O10 N2	477.15036	477.15097	-0.034595896	477.15036	46698	38586	41789	43819	33780	28903	25003	30140	34741	86844	39287	22826	53780	18508	29873	29870	18555	47271	52583	68484	54729	82972	28956	47302	31120	18910	21813	23640	27493	23155	27563	24493	38511	23198	108978	22288	47211	24516	23110	83682	50186	17968	426	0	0	72745	58643	0	31494	25944	39001	48205	32480	0	46036	34393	23456	40472	28619	15435	34214	53767	56059	35868	19034	41103	24904	22862	13205	30755	29396	29295	20943	16639	18690	21140	0	18373	40714	34736	32681	58146	29128	37990	26634	22704	44686	25963	25022	30181	39058	55347	65285	44665	68820	0	46524	48970	26600	30502	26750	31763	18915	43699	46767	37941	21177	0	30661	67871	Phytochemical	0.45454547	1.0909091	0.09090909
14	C22 H24 O10 N2	477.15036	477.15106	-0.025503935	477.15036	102952	100155	89546	107628	61846	53901	63781	82598	80800	208099	100640	47454	97915	31727	66532	80021	54946	94388	95402	152064	154113	204594	74766	98410	69019	41852	48820	85517	63138	57450	69161	72515	98827	62473	253577	70446	86049	63638	68213	172375	143889	50642	0	0	0	170775	162267	0	83267	66661	89848	95825	57154	0	98189	53731	44093	94422	113112	56340	83704	125168	110940	78706	40760	71812	55532	58683	53907	106373	76485	69397	62280	57573	48441	63998	0	57759	74150	110441	69299	119375	61103	89550	68572	48509	85822	63163	57686	95997	94665	97933	136747	127029	148154	0	93436	93054	46878	60900	57357	86940	49117	110739	174257	97403	49584	0	60863	111169	Phytochemical	0.45454547	1.0909091	0.09090909
6	C22 H24 O10 N2	477.15036	477.15118	-0.03629723	477.15036	16676	15768	13744	13952	10249	7275	7023	9465	15796	31534	20241	8327	19442	3821	5276	14452	11344	13655	15262	19362	37271	28521	9517	14663	2771	4583	5693	9293	9067	7716	9714	8311	13987	7900	39282	8083	10464	6154	14675	21298	34513	7142	0	0	0	21427	39830	0	12177	10189	13047	14684	9879	0	19730	13291	6961	13662	6263	12151	12096	19178	26494	14666	4813	13807	9690	16069	12647	9825	20896	7967	9345	5768	4090	8490	0	4434	11360	9529	7492	13931	6111	9118	14138	8378	10411	7098	8887	18769	0	10668	17994	22041	25183	0	14365	16062	9121	17102	14258	11321	5969	15327	15274	11839	9308	0	6277	23538	Phytochemical	0.45454547	1.0909091	0.09090909
18	C27 H24 O8	477.1544	477.15497	-0.086155474	477.15436	6734	8196	4826	5855	6776	3165	0	3100	4088	12326	16300	2185	2853	6217	3573	3636	2289	5303	7549	12374	14068	5092	3860	4532	0	43718	2331	17724	0	2190	3183	0	3834	0	14917	0	3201	3824	4320	8954	13236	4176	0	0	0	4767	9457	0	2467	4313	5313	9087	5075	0	4852	5491	3634	2611	6439	3630	2779	7947	5439	5008	2571	3926	0	3102	26673	35938	46500	1401	0	0	4476	0	0	3181	2924	6107	4658	5306	2409	7695	5902	2762	6759	1647	2642	6306	7057	6364	7112	10889	11475	0	5695	6842	6914	6711	4847	2271	2726	3323	4460	5065	5344	0	2733	4792	Phytochemical	0.2962963	0.8888889	0.0
26	C27 H24 O8	477.1544	477.15494	-0.08860614	477.15436	5072	4077	5794	4309	4832	0	0	0	7064	12299	15242	0	6434	2079	0	0	0	6195	0	7256	11880	6940	0	0	0	34451	0	12012	0	0	0	0	0	0	10645	0	0	0	2294	8287	13488	0	0	0	0	5725	8636	0	0	0	6673	4933	3242	0	4874	0	0	0	0	0	0	6067	3922	4744	0	3608	0	0	42159	27516	47326	0	0	0	0	0	0	0	3818	7738	3198	5946	0	6629	10118	0	3558	0	0	0	1570	0	0	8476	7131	0	3892	7572	6516	7164	7766	0	0	0	0	0	6786	0	3190	4795	Phytochemical	0.2962963	0.8888889	0.0
28	C27 H24 O8	477.1544	477.15494	0.0857355	477.15445	0	1335	2043	1258	2644	1117	0	0	1302	3499	4013	0	2097	1413	0	0	0	2757	2686	2918	2685	2410	0	0	0	10379	0	3465	0	0	1274	0	913	0	5566	0	0	0	0	2585	4336	0	0	0	0	2181	3894	0	0	0	1649	1943	2307	0	0	0	0	0	0	0	0	3269	2707	1475	0	2783	1158	0	12575	11518	23227	0	0	0	0	0	0	0	1435	4329	1749	2337	0	2872	0	0	1501	1103	1636	0	0	1019	0	4715	0	0	1462	0	2466	3977	1859	0	0	0	0	0	2970	0	0	2334	Phytochemical	0.2962963	0.8888889	0.0
20	C27 H24 O8	477.1544	477.15497	-0.057628054	477.15436	13691	14270	15227	13481	14722	6457	2992	4690	17185	36266	39376	3073	9321	8393	5072	3975	3170	6785	9892	31425	31311	15926	4950	7635	6069	93307	5271	30343	4763	1998	2146	4874	7041	2031	52421	0	5720	4074	4939	24260	24634	4881	0	0	0	12491	17566	0	4817	1433	15297	10853	10158	0	11439	10317	6962	7801	3626	5887	9210	13772	12273	9243	8021	12452	8424	4334	65554	79479	110493	3750	3838	1602	2190	4031	0	3031	13739	11551	9228	9765	4228	27498	14007	6866	12541	4174	3732	9672	7825	7933	6940	18578	12729	0	10796	15373	16392	9076	14681	4762	3993	5898	9824	2831	9254	0	4227	9113	Phytochemical	0.2962963	0.8888889	0.0
22	C27 H24 O8	477.1544	477.15497	-0.04009847	477.1544	18635	14931	12960	17541	15534	5195	2166	8137	17291	56581	58732	3246	13375	18234	5334	0	4028	12733	17650	38681	45293	22695	8560	5828	4253	122770	4949	46669	3202	1427	3256	0	2376	1481	64792	3494	4301	5608	3250	27013	33738	4658	0	0	0	22895	26347	0	3956	2427	18684	12850	11830	0	11783	12635	8018	5217	2770	5616	3633	22007	18351	9099	9660	16431	8993	4346	97757	101501	147554	2242	0	1884	2801	1486	0	0	15289	20672	10384	22971	4947	27847	18962	12063	14767	5536	8154	10913	7540	11459	6312	25270	27025	0	12168	14930	15710	19403	16786	2643	2061	4836	13413	4574	20865	0	5814	16134	Phytochemical	0.2962963	0.8888889	0.0
24	C27 H24 O8	477.1544	477.15494	0.025104519	477.15442	13042	10578	8704	11131	14691	3623	1717	1991	11324	34743	38550	3349	8968	7416	3630	4230	0	11646	9926	25464	32447	15245	3732	2505	2932	79235	2464	31328	2642	0	1857	1051	3864	1135	42856	2186	2880	2902	2585	18804	24385	2993	0	0	0	12906	17571	0	2080	0	9972	9007	8106	0	9063	10979	5407	2940	2667	3478	3263	14591	15167	8981	4734	10392	6483	4716	84539	64386	93040	2498	0	0	0	2280	0	1903	11112	11578	8691	13845	3951	22122	21727	6707	10922	5299	7027	4011	0	7818	2613	20174	17234	0	9556	9051	15338	15990	16118	2973	1658	3608	10909	2658	12905	0	3565	15201	Phytochemical	0.2962963	0.8888889	0.0
22	C24 H28 O8 S1	477.15778	477.15863	0.32393265	477.15793	39646	21769	34294	17377	15609	8813	3855	4019	15183	74455	45375	3076	18953	0	3378	9363	4723	18754	26834	62163	62692	46104	5632	18624	5808	52532	2599	36114	2873	2612	4449	0	12039	2334	77778	4611	16240	3853	11954	56014	40854	11842	0	0	0	32351	29881	0	4837	3265	49858	33200	24170	540	16828	9462	3827	9457	22486	18088	7136	40465	11596	9333	4751	12646	7157	3363	41875	79587	135968	3528	4911	2041	2183	4296	0	3969	8788	47992	4011	45248	12296	35127	14967	12730	12104	7285	3645	18008	80896	37723	8887	73828	116066	0	14157	21167	9650	9225	7825	19754	3130	33830	40020	6851	11080	0	4079	22545	Organosulfur	0.33333334	1.1666666	0.0
10	C21 H24 O9 N4	477.1616	477.16223	-0.11172069	477.16156	10512	7508	7040	4758	5070	3045	6255	11481	6345	5325	0	5670	6031	2164	7872	10510	7696	4952	8694	5738	7174	9666	10133	13323	7142	0	4842	0	10458	7541	7891	8621	10023	5673	6834	7295	15073	8324	10550	9321	9607	4657	0	0	0	10129	5914	0	9274	5437	9358	5004	6086	0	5894	4163	4323	7254	11352	6238	0	5608	4995	6780	2256	5025	3337	10509	0	0	0	9515	5255	7359	8655	7799	0	6636	9530	0	5762	4984	5297	3440	3999	3530	11937	6595	5178	14714	9690	9767	20139	6887	6034	0	6736	7213	2391	3538	3916	10834	5801	5894	0	12906	4299	0	7274	6869	Peptide	0.42857143	1.1428572	0.1904762
8	C21 H24 O9 N4	477.1616	477.16232	-0.13785975	477.16153	9154	9820	6061	9907	4937	4041	5603	11784	6873	6211	5146	5372	6532	989	6526	11357	8862	6421	7864	3841	8084	13351	8205	12601	5754	0	4559	0	7584	7303	7333	8664	11354	7426	10199	7115	9189	6949	12072	9347	12299	5837	0	0	0	11050	8664	0	8011	8210	10405	7102	4234	0	6669	3078	3473	8194	7560	6622	9941	6736	8904	4705	3598	4813	4748	10344	0	0	2878	7530	7010	6216	6694	9113	0	5591	8709	2774	7401	5604	5548	2328	4118	0	10812	5031	6449	16969	0	15275	21937	4674	7226	0	10597	9521	3086	3279	0	10280	5328	12405	0	9580	3771	0	7657	8434	Peptide	0.42857143	1.1428572	0.1904762
26	C24 H28 O10	477.17554	477.17612	-0.025506437	477.1755	26205	25901	25079	18253	32444	20258	6687	21451	34889	63108	18451	11944	56104	16779	16942	20575	5988	50874	40249	48789	58528	29170	20805	21597	12837	37996	6710	16620	13579	8490	11685	10283	15910	13690	65550	10508	20182	16366	7059	34572	24798	9987	0	0	0	33140	24202	0	17145	13793	25364	23249	23243	0	37566	31624	11718	18784	16611	7556	19756	20433	48400	29015	9057	39352	13498	11616	34913	64567	48979	17490	12604	9385	10186	10667	0	11524	27984	13684	20359	20594	11253	18984	39056	15969	24320	12445	13080	9596	20391	18039	25726	16988	32325	0	30465	30702	23452	31241	30290	15759	10924	17954	20460	13753	21177	0	16619	52925	Phytochemical	0.41666666	1.1666666	0.0
24	C24 H28 O10	477.17554	477.17606	-0.024991838	477.1755	65135	72742	63647	68115	71367	58868	18817	44577	82643	166502	62481	27896	135325	39324	51853	44685	22168	96876	90902	125344	121493	74187	59087	50067	40198	80853	20899	46585	35627	32856	33878	35922	49235	39576	161893	38390	51586	36957	23869	88303	51743	25261	2814	0	0	94701	69109	0	42695	37646	70029	67256	50723	0	100322	60711	36760	48711	42282	19039	47087	61879	107262	71126	31871	90679	37114	22917	77560	162485	126113	47442	34808	32924	25020	33172	0	35991	73239	28942	54322	59846	31144	51837	79405	40616	58317	33095	33999	29916	40294	49789	64298	47320	79231	0	62343	59651	58119	66307	60292	38325	25319	42793	56674	39469	46316	2116	35828	114117	Phytochemical	0.41666666	1.1666666	0.0
20	C24 H28 O10	477.17554	477.17612	0.003823564	477.17554	415843	405850	420258	368824	367864	318793	174683	345284	475838	1090805	404495	192798	561140	234053	319192	288196	151885	494506	496136	913874	830385	455753	313735	336181	274254	554747	160737	354118	309764	256668	320063	282761	358196	277237	1196992	269487	383430	236197	167139	586436	348982	210931	10523	2500	1122	591095	377988	1461	319635	270415	407435	413532	295106	979	490813	316220	189237	326634	318631	147526	304336	356663	570806	397076	166774	402233	249379	190032	465405	975728	734314	342272	295317	298007	178439	288110	1047	256720	314803	224945	299017	340130	229043	419464	347898	213573	281809	185671	240624	195737	319497	387081	383979	253872	363079	3633	412676	393722	351132	296641	289244	291082	213907	330983	379853	282545	277507	1868	224937	596091	Phytochemical	0.41666666	1.1666666	0.0
22	C24 H28 O10	477.17554	477.17612	-0.005601532	477.1755	212427	203015	181025	180439	187667	163365	78955	152516	229065	504542	182130	80499	254661	109007	134176	129091	70522	274434	226315	399205	353231	222253	142640	159504	130909	265372	59094	146064	134634	102461	137249	131234	149464	123578	505713	122342	196156	105920	73434	264665	165716	83957	5949	0	778	268655	194040	0	132366	124845	195269	186384	141780	805	255123	175368	97083	141819	132454	60157	145376	177966	293569	197157	75020	197145	123790	69023	195963	452913	323523	148215	112302	111287	61770	109377	595	112971	167483	93965	146835	171601	94258	152204	199789	111054	135086	78162	96719	93253	146913	172011	199048	127579	186611	0	171357	175240	167059	162016	141541	122197	94399	152739	171221	138299	145909	0	99304	320033	Phytochemical	0.41666666	1.1666666	0.0
28	C24 H28 O10	477.17554	477.17612	-0.03382043	477.1755	11760	9377	12174	13891	13544	9538	4119	8220	13557	33768	9163	4918	28628	8542	9451	10545	4075	16180	17714	29234	25885	12327	10014	10643	5507	19552	4054	12617	8114	6900	6244	6246	7793	6802	31621	6188	10098	5955	4465	14008	10824	6194	0	0	0	11599	13469	0	8625	8112	13895	10196	10809	0	17005	12661	4070	11123	6526	3644	7091	10158	21660	11264	5955	20190	5789	6249	16386	35183	27497	9115	4971	6141	5993	5172	0	6593	11617	5753	9995	9829	5523	11040	12382	7546	9893	7110	6325	6179	9559	10568	12040	7297	11950	0	12031	11605	9072	14635	15502	9479	4390	9072	10890	6942	7206	0	5182	20560	Phytochemical	0.41666666	1.1666666	0.0
6	C18 H28 O11 N4	477.18274	477.18344	0.4099512	477.18292	1044	751	889	0	493	0	1502	1321	0	0	0	877	1373	0	0	923	1794	2166	1099	0	0	984	1531	1134	1109	0	673	0	0	1240	0	0	0	1292	1030	1579	1862	735	0	0	0	930	0	0	0	0	0	0	1630	858	1579	0	0	0	1447	601	0	3796	0	0	1380	0	0	0	0	0	0	0	0	0	0	2562	1289	1372	1207	805	0	0	1005	0	0	0	659	0	0	0	844	557	588	1680	22302	6418	2439	2764	1661	0	0	1554	0	0	587	2210	1026	0	0	734	0	0	0	725	Peptide	0.6111111	1.5555556	0.22222222
18	C23 H28 O9 N2	477.18677	477.18735	-0.087328106	477.1867	61507	51991	55921	55724	33392	33950	44351	67054	40972	102715	44655	26983	50324	23305	55622	54102	38106	57571	57618	97384	69812	85670	43927	76770	60266	25859	36603	48642	73828	51317	56841	60793	75607	50595	121206	59827	91523	46604	28747	91945	45124	38626	468	0	0	68492	41918	0	58393	50048	67068	59417	32965	319	58609	30297	29904	60529	68385	28886	67794	61482	45667	40418	19596	52589	36200	35467	21281	52817	27709	63150	43408	46163	35657	49259	0	42545	45589	39425	41936	46044	54136	46285	26124	31897	56426	36677	45886	42775	85893	97755	114169	35208	68717	0	63631	57056	26746	30446	25102	64485	37162	71473	41405	56322	25336	0	54660	57200	Phytochemical	0.39130434	1.2173913	0.08695652
20	C23 H28 O9 N2	477.18677	477.18738	-3.45961E-4	477.18677	24713	18707	24416	18853	19198	22622	12789	23320	19077	44695	16371	9602	19860	12507	20330	20896	12033	22109	24580	34913	22860	39621	22113	35559	26188	6969	13256	16082	19242	15007	20581	19124	31919	19133	42753	24456	36695	14698	17197	40432	14017	13901	0	0	0	23973	12418	0	20817	15376	22258	19215	20878	0	21070	14552	9390	27571	24884	11452	28163	21610	21004	20039	8072	19922	15554	11968	5467	22707	12498	19223	17099	12813	11857	14127	0	14679	20772	17429	16555	13285	21395	15094	8331	12099	26097	11990	16854	21591	38935	47877	56325	18366	27113	0	20033	17216	10645	12319	10443	27659	12320	28304	16489	28255	12806	0	14082	31347	Phytochemical	0.39130434	1.2173913	0.08695652
6	C23 H28 O9 N2	477.18677	477.18753	-0.06458155	477.18674	22737	20809	20462	17237	11051	9457	9328	18429	13567	46203	17378	11954	19695	6318	11895	17930	12607	13790	20795	34520	38679	35003	12733	21957	9672	10432	7976	21380	14011	16831	15500	17950	18263	14280	48246	18509	21206	13167	18268	24544	29564	8649	0	0	0	31075	31952	0	23452	15738	17684	20197	12106	0	20642	9990	6704	19389	10699	13087	23898	20595	17905	12894	6395	14025	11171	14502	12294	22139	19485	16452	14189	14889	7564	13734	0	9045	13752	11481	8601	13879	11354	15976	10807	7280	16635	10905	9073	24561	18326	24515	31564	21142	32523	0	19242	19348	6559	10251	12379	19638	9991	21576	19101	17230	8846	0	10550	16511	Phytochemical	0.39130434	1.2173913	0.08695652
8	C23 H28 O9 N2	477.18677	477.18753	-0.05358101	477.18674	46531	47296	40631	49469	25421	18651	20848	40378	23932	93244	41554	21814	45367	10171	25477	41954	29022	26251	37067	76428	84371	75519	25169	48827	22938	18174	19275	34422	31433	30006	31115	36342	39893	32745	121816	33178	45685	24622	35750	68135	60570	19270	0	0	0	66584	58350	0	36721	29500	45117	47083	23821	0	32892	21428	15350	34139	29668	29846	40838	46634	36209	29105	10076	32444	20380	37092	29946	40816	44306	35881	29713	26963	25121	32879	0	21379	35817	33860	26709	29626	23634	40388	19598	15541	32940	20576	23974	54809	44154	63808	59595	45833	66673	0	39540	42965	17228	22178	22704	36263	20871	58351	29857	40717	18497	0	27945	32450	Phytochemical	0.39130434	1.2173913	0.08695652
26	C28 H28 O7	477.19077	477.19128	-0.018448494	477.19077	10040	10634	8136	9447	12213	3486	0	0	12472	16090	28100	0	10195	8333	0	0	0	5195	10985	18867	22411	8462	0	10246	0	63759	2041	23435	0	0	3895	0	3217	3789	21563	0	5470	2664	6524	15103	22942	0	0	0	0	7816	13956	0	3850	0	9696	10143	6501	0	14016	11678	6299	2886	5493	0	5598	10094	12255	6106	5581	11076	11874	3296	76849	41979	75531	3139	0	0	0	2907	0	0	8867	10864	11258	10701	3869	21352	17067	0	9367	6229	3734	4937	3386	3753	6267	8849	8611	0	11881	10984	8727	20415	12938	0	0	0	8983	3328	11820	0	7638	10553	Phytochemical	0.25	1.0	0.0
24	C28 H28 O7	477.19077	477.19135	-0.011020778	477.19077	21014	24636	23547	22714	24433	13893	5500	14463	29942	47607	70739	8233	26873	17526	9082	12708	11385	19192	24462	55982	52920	16787	16518	15487	15016	165271	7522	53098	4825	7343	6398	12906	10427	7042	61938	7015	16365	8793	12624	43383	58024	11060	0	0	0	26077	32071	0	13003	11719	25710	25983	18192	0	21679	25413	15004	14559	8665	10372	12650	32520	29121	18176	11806	29678	21403	9999	144615	120929	157840	6680	7169	5399	3684	7654	0	8729	29022	24703	15967	17532	9847	43130	36225	12713	22369	12240	14316	11757	14654	11620	12989	23614	22093	0	25520	23823	24091	28303	32141	10855	8795	15688	14838	10783	22526	0	12382	25878	Phytochemical	0.25	1.0	0.0
22	C28 H28 O7	477.19077	477.19138	-0.008326636	477.19077	28618	31862	23476	31302	26660	13974	7520	13709	31160	45664	64724	10578	21339	20642	16456	20693	9058	19974	28810	53212	58421	31472	18525	12980	14661	166994	9614	56603	10642	11875	9275	12084	14097	12954	61172	14922	16025	10495	15489	38165	54650	13856	0	0	0	31887	29212	0	12835	11961	24950	27996	18691	0	21450	22975	16545	20431	11194	15780	18213	28122	25968	20461	13028	21813	18497	14710	139388	137226	195616	11162	9593	7733	8013	10152	0	10504	28403	27242	16093	20173	14600	40287	37978	19935	26590	17888	14632	12994	22185	19654	17144	24251	26230	0	29422	28022	27985	30869	26960	18040	11201	17690	16687	19035	22372	0	13480	23674	Phytochemical	0.25	1.0	0.0
18	C28 H28 O7	477.19077	477.19138	-0.12411224	477.19073	6087	9309	4029	5263	4961	2032	1949	4727	4050	11576	8402	3435	3095	6544	5510	6938	4480	4092	8560	11935	11203	5650	6360	4931	5188	27412	4832	4280	0	3808	4429	0	5023	0	13621	4150	5465	4132	6680	10026	11352	2670	0	0	0	6338	5375	0	4840	5272	5906	7331	0	0	1964	7724	5495	5274	2472	6961	4330	7196	5199	3632	3035	4922	3840	7197	20783	17981	42915	3896	6704	2884	2996	9429	0	3813	7495	5488	6733	3448	6060	4702	6537	5294	6289	2522	3568	9618	4770	6713	6859	3795	6305	0	6984	5670	5248	7296	5175	4100	5045	3525	4244	5559	4614	0	2254	4321	Phytochemical	0.25	1.0	0.0
24	C25 H32 O7 S1	477.19415	477.19467	0.28807923	477.19427	15877	21227	18952	22740	20872	18560	2616	5386	11654	58459	80204	1716	14148	7245	6321	11712	11328	16320	17228	63845	58079	37821	7173	8721	19796	51650	3295	36913	4691	4397	4493	7679	11067	5685	141404	5694	24254	5436	7717	88896	34636	6744	0	0	0	28023	26614	0	17022	3248	20398	30224	18550	0	14256	9440	5797	11740	21925	16549	18488	38720	15420	11064	4714	15181	13809	9710	48486	78519	117004	3787	4912	2608	6322	3776	0	3705	7235	26004	5161	17560	36164	37144	10053	6620	10133	16614	19052	12051	84436	44612	41396	37786	52410	0	18552	15495	8575	6573	10786	8531	4108	23528	25723	20938	11871	0	18246	11527	Organosulfur	0.28	1.28	0.0
8	C22 H28 O8 N4	477.198	477.19873	-0.029146323	477.19797	12246	8779	8305	11742	3237	4239	6983	11723	2732	4446	0	5970	2834	1733	9510	11697	7988	3803	4870	8458	6154	18454	10703	13742	9412	0	7135	7977	12279	9726	9900	12055	10452	9111	7037	9214	12751	9014	12268	10686	8755	5061	0	0	0	8109	5940	0	13064	9251	9376	8924	4444	0	4704	3107	3769	10397	9254	4944	11384	3666	2439	4532	4064	4102	5930	11212	0	2437	0	10704	10626	7997	6439	10767	0	8094	9491	9273	9892	4038	9493	4829	1271	0	10461	4515	7914	16049	62445	43838	27252	5984	5361	0	12260	12716	2676	1457	0	12031	7759	11802	0	11599	0	0	9745	4132	Peptide	0.36363637	1.2727273	0.18181819
10	C22 H28 O8 N4	477.198	477.19876	0.039751533	477.198	14190	6427	10303	8361	3400	2386	5699	10598	2157	6452	5199	6582	1951	0	7047	15044	6694	2656	4986	7835	5871	15973	10752	12898	7992	0	3734	7194	8123	10042	9406	9401	15752	9200	4939	9848	11787	8696	10384	7478	3597	4530	0	0	0	6858	7620	0	11995	10747	10136	10351	3668	0	4614	1920	2680	9217	6381	8389	0	4278	2360	3330	2679	3857	4895	10606	0	0	0	11975	7863	9474	5040	9701	0	7473	9615	8903	8478	5454	9062	4241	1906	2199	10593	5376	7711	10195	91764	53537	24976	6939	6782	0	8611	7853	0	1793	2244	11579	6519	8629	0	10181	2749	0	9688	6329	Peptide	0.36363637	1.2727273	0.18181819
24	C25 H32 O9	477.2119	477.21246	-0.02196386	477.21188	203665	191575	186859	197708	180723	154041	80123	172765	221870	443375	168384	92718	305732	115728	151698	160212	85966	253720	287869	403533	356979	203677	167974	184468	141080	286265	68983	160585	154871	129966	142586	154520	179826	132777	495507	152506	225135	116478	101026	262636	143854	93561	5451	0	0	204358	129574	0	162874	140190	195181	177355	135379	0	271885	160433	91449	178049	156354	66613	184212	158946	269345	195869	77462	202016	123356	92222	241249	530672	352313	166082	142183	145830	87404	130993	0	129247	175731	70672	152021	120694	104817	137954	193743	105221	156826	90261	118571	105897	179876	194644	245826	99278	172814	0	194018	188565	138190	158995	157030	159841	100082	173075	116181	149495	146015	0	104314	298237	Phytochemical	0.36	1.28	0.0
20	C25 H32 O9	477.2119	477.21252	0.019781731	477.2119	844325	882507	849865	768359	714628	531634	431514	811596	844627	1859524	878531	461476	857435	431840	751620	767612	435861	788111	1001120	1794846	1614132	838044	661109	882097	629137	1355416	398879	826385	780613	654233	673631	710334	868602	647777	1960736	692100	930209	596556	471641	1060843	681458	468614	15781	4104	1205	804342	523953	2063	734030	672531	846530	841580	570272	2680	920545	617326	415825	797597	741076	374309	761967	655964	892121	743151	338859	714477	501919	479897	1043164	2119341	1589260	762970	697239	726821	512616	720803	637	597812	775382	383280	656603	431781	591932	748868	655001	451791	716750	403982	514337	530025	769366	834792	945088	459115	658466	5647	865893	834950	602134	560376	549687	770935	508174	870546	483157	696002	545418	3086	537268	1019310	Phytochemical	0.36	1.28	0.0
12	C25 H32 O9	477.2119	477.2126	-0.08433185	477.21188	50125	48583	50475	46391	15855	14589	47624	44964	21870	39777	34412	32550	14452	11023	32663	59810	54863	18514	28767	61838	48024	41454	40447	61132	30473	36830	46353	29022	40401	51717	39977	43563	41117	29222	42516	42624	35536	36192	57168	32080	49951	19331	734	0	0	33533	48050	0	45514	55167	39921	55121	19086	0	28752	21705	21823	50035	37586	42303	56035	21640	24597	24360	14334	17678	15854	50362	40052	46565	57102	34589	33338	55003	55170	48761	0	31429	54204	20494	40923	30443	37319	23814	30367	19422	46793	14847	18584	91775	25434	36404	48603	26560	36134	0	51094	54998	22542	24443	25503	52695	27149	55873	0	37747	19793	0	34704	21400	Phytochemical	0.36	1.28	0.0
28	C25 H32 O9	477.2119	477.2125	-0.060579073	477.21188	17400	18424	17860	17037	20208	10798	7702	19421	17982	45737	19050	8655	35467	10615	14078	20179	10816	24189	29777	37193	46066	20008	15954	19596	11067	31977	7573	20294	13461	13931	13256	14623	17780	13639	42462	14434	18158	10355	10948	23714	15572	9952	0	0	0	16404	12733	0	16286	15746	20067	15764	12872	0	23497	18965	6232	20566	12139	4515	22546	11913	29025	17707	8611	25350	13996	11729	33867	60554	55963	15102	10201	14006	11234	11981	0	11285	20259	8103	12723	10505	11008	15902	23334	12479	21317	10120	10186	14658	22803	19214	23836	7679	16910	0	17979	16588	12190	17690	22206	16168	11782	19326	8832	16079	11163	0	9822	26625	Phytochemical	0.36	1.28	0.0
26	C25 H32 O9	477.2119	477.21252	-0.04282645	477.21188	53531	52960	55793	51042	58431	39658	26734	56282	60098	119357	48872	33783	101253	33677	44647	56368	33785	78066	95738	121494	124335	56292	50253	61293	41171	87754	20119	47156	45883	43484	41335	49695	55902	43034	122585	44021	69805	33678	36442	65815	50899	29050	0	0	0	53305	37542	0	57774	40178	63054	52358	44117	0	75197	62188	31313	54165	33422	18462	54879	35769	85415	61862	24210	58509	40644	29655	81269	167215	133832	46354	36717	36327	26614	37120	0	38181	60345	20873	49541	27400	27966	38850	59298	32927	50303	30685	33560	35493	49997	54896	67489	29694	51791	0	58738	59757	42728	61193	54914	49389	41144	46822	29225	40234	38160	0	37683	78761	Phytochemical	0.36	1.28	0.0
22	C25 H32 O9	477.2119	477.21252	0.013403835	477.2119	556022	586436	492887	538451	489025	428741	261869	581193	604839	1359233	525205	271847	604452	315558	474581	449903	236639	703149	639454	1266568	1092000	578506	494446	563732	484025	835066	217777	513487	514951	412530	494449	501087	565490	440650	1541644	475446	654483	391354	255269	732660	374849	286985	13452	0	811	601001	347415	0	494237	468178	584152	577607	398095	2907	709837	428066	278678	531730	477299	200651	495018	471645	711065	529575	208259	491508	350353	262352	638703	1584379	985643	500779	410060	471627	242643	418216	1392	392273	492445	207288	461295	343833	343066	398416	472811	314374	439353	272310	339466	308204	540042	628301	668643	309987	494888	4440	503495	551631	374655	392931	359663	499030	324067	537692	336492	443888	356350	0	342302	794141	Phytochemical	0.36	1.28	0.0
0	C22 H36 O9 S1	477.21527	477.21622	-0.030089974	477.21527	26511	24456	28158	21300	0	0	36900	9603	0	0	0	11019	0	0	7824	40998	15888	0	0	0	0	36009	0	9420	9930	0	9762	0	13683	28932	9561	40188	28566	25326	0	41883	30576	16797	18603	0	0	0	0	0	0	0	0	0	14877	16005	17904	25629	0	0	336	0	0	32586	0	0	29739	0	0	0	0	4146	0	15930	0	0	0	12582	54195	161754	17883	28944	0	13560	0	0	0	0	0	0	0	4722	1881	0	0	9693	1336	0	101085	0	0	0	18909	25488	0	0	0	39096	10284	0	0	50304	0	0	15942	0	Organosulfur	0.4090909	1.6363636	0.0
6	C19 H32 O10 N4	477.21912	477.21985	0.15836251	477.2192	3570	3136	3604	3261	0	1972	0	0	0	1424	2443	0	0	380	588	0	0	0	0	0	0	0	0	0	0	0	0	38861	1156	0	1019	0	1392	1329	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3570	4892	0	0	628	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	780	1067	0	0	0	0	0	0	86431	0	0	0	0	0	0	0	0	593	0	313946	98393	0	24903	10555	0	3195	2224	0	0	0	0	0	0	0	0	0	0	487	0	Peptide	0.5263158	1.6842105	0.21052632
4	C19 H32 O10 N4	477.21912	477.22012	0.21405885	477.2192	2541	2654	2151	1904	0	2247	0	0	0	0	2807	0	350	0	0	0	0	715	298	0	0	691	951	702	501	0	0	17104	0	0	429	0	781	760	0	0	887	0	0	0	0	0	0	0	0	0	0	0	0	0	1457	1940	0	0	0	0	0	1191	0	0	0	0	0	0	0	0	642	1160	0	0	0	0	655	0	0	0	0	0	405	92635	0	0	0	0	0	222	0	0	0	725	190301	46746	1392	13641	3964	0	2721	2341	0	0	507	924	0	0	4699	734	384	0	397	494	Peptide	0.5263158	1.6842105	0.21052632
8	C19 H32 O10 N4	477.21912	477.2198	0.19609001	477.2192	0	1469	0	0	0	0	0	1067	0	0	1165	0	0	0	0	1419	0	0	0	0	0	0	0	0	0	0	0	8190	0	1301	757	0	0	0	0	0	0	853	0	0	0	0	0	0	0	0	0	0	0	817	0	1365	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	906	0	0	0	1023	0	0	0	20743	0	0	594	0	0	0	0	0	0	1359	149001	51158	0	3633	1567	0	949	0	0	0	0	0	0	0	0	969	0	0	0	0	Peptide	0.5263158	1.6842105	0.21052632
2	C19 H32 O10 N4	477.21912	477.22015	0.19068284	477.2192	2346	3032	1805	2439	0	0	0	2279	784	449	1411	1372	860	386	1339	0	1567	2258	656	0	313	992	1245	965	428	0	0	12092	3056	1574	1711	1793	3619	3330	0	828	2288	1550	1193	0	0	0	0	0	0	431	421	0	1705	1018	2273	1591	997	0	793	328	406	1503	250	0	428	0	996	639	0	1064	1558	1889	0	0	0	2777	3117	1311	0	1070	0	926	1506	68589	1746	0	0	0	831	612	1400	2385	1203	1426	38379	17644	2331	11916	0	0	1834	1845	473	337	618	1845	0	231	558	2731	451	0	1021	1775	Peptide	0.5263158	1.6842105	0.21052632
8	C24 H32 O8 N2	477.22314	477.22388	-0.070147395	477.2231	16223	15509	18309	18861	7037	6959	10357	23899	6549	20138	9500	11937	9264	4620	14394	18625	11158	9685	11536	26653	27327	26457	13498	25664	15910	7673	8265	9656	15682	16254	13094	19413	18316	11836	27419	17607	20006	10968	15977	31078	14540	9749	0	0	0	19005	12593	0	18580	16702	14659	17229	5808	0	11200	4777	7540	21463	4436	5142	16252	15609	8600	9387	4893	7649	9938	14699	6551	16735	12586	15629	11996	12616	10451	13910	0	10979	14305	13446	9459	6861	8828	14508	4478	6917	13620	6637	9385	23129	21464	22969	35951	17205	23960	0	21740	11805	5351	3215	4786	21989	9376	24605	0	17129	4853	0	13442	9169	Lipid	0.33333334	1.3333334	0.083333336
14	C24 H32 O8 N2	477.22314	477.22385	-0.090345465	477.2231	35597	32644	27462	36804	10391	15621	27229	35933	12670	52984	27326	19215	14703	9941	29037	36148	24267	13423	19472	51926	47176	66725	24815	47155	31749	18173	23241	24292	41449	32067	29428	43749	42563	29820	58192	35702	41542	23788	28600	42110	32761	16221	0	0	0	33798	27696	0	39708	31357	29956	27703	14941	0	15860	9819	11953	42954	28151	20766	34721	27007	10823	16195	9865	18452	15194	31441	13115	32621	20458	29616	27843	27248	26220	24392	0	20170	29451	20390	21468	17874	22873	27124	6246	9116	28860	19770	22831	42120	52822	47579	56152	23681	41636	0	30657	28555	8076	9225	9537	39859	18284	48456	0	38291	6997	0	30723	15051	Lipid	0.33333334	1.3333334	0.083333336
20	C24 H32 O8 N2	477.22314	477.22372	-0.09984632	477.22308	22929	20911	20572	21107	11927	10195	15315	24443	11181	23505	8807	9522	12169	10046	20459	24994	14210	15696	20340	27885	25319	30868	15676	30133	24831	5004	14470	11175	21912	19726	24003	21573	33063	21223	32733	22542	31923	13900	17587	27262	13299	14153	0	0	0	18247	10038	0	23820	18023	20378	13088	11650	0	10252	9911	7760	24036	27829	9386	20344	14092	13236	9815	8583	12875	12623	17219	4462	20269	8476	23217	17372	16640	15624	19576	0	18904	19011	8291	12408	6771	21810	17661	6628	9390	21364	11805	14856	22765	46323	47729	50658	10597	18241	0	18509	17862	6499	3914	5326	36652	13084	30743	12635	27657	8044	0	21636	11718	Lipid	0.33333334	1.3333334	0.083333336
12	C24 H32 O8 N2	477.22314	477.2238	-0.065674685	477.2231	25168	23122	20836	23089	10672	14447	20191	39376	10357	39754	16756	15350	10366	7377	23865	20115	26752	6769	20919	50452	46269	42584	20679	24927	26197	12114	14668	20350	31831	22776	28602	27383	40776	23469	57415	28512	29155	18775	24208	40894	29579	12145	0	0	0	36228	14960	0	29473	18475	21667	27717	13129	0	14922	7804	6683	31117	14643	20461	16959	15447	9176	13088	6048	15322	16350	27667	0	31396	21014	24003	27214	24227	16707	20388	0	22312	23855	0	20177	16618	16182	26065	6968	8435	24374	13102	15085	42832	42781	44267	50076	24186	35881	0	22249	20136	6075	9255	6989	29683	18096	25582	0	30688	6539	0	25452	11787	Lipid	0.33333334	1.3333334	0.083333336
10	C24 H32 O8 N2	477.22314	477.22385	-0.027625406	477.22314	25266	25287	20626	17717	9087	11848	17828	24136	7618	39367	13026	14637	13142	6628	18384	24983	15053	10804	16914	48558	40598	41216	18140	36284	21772	9215	12615	14159	25254	18307	22587	23782	35341	22692	44505	26755	30550	16802	21126	44406	29057	11218	0	0	0	27393	22016	0	34943	22142	26086	25416	13374	0	13417	5278	7630	31677	5595	7769	31272	16811	9030	9438	4988	12792	15881	21381	8113	21234	14768	25301	19224	24571	14319	21853	0	15786	24241	15120	16813	9177	12511	16596	4250	7716	21415	10466	12889	28029	40999	34190	46015	17006	31172	0	21672	23050	6117	8059	7867	32743	13254	33012	0	28697	5991	0	20118	11096	Lipid	0.33333334	1.3333334	0.083333336
26	C29 H32 O6	477.22717	477.22778	-0.023970984	477.22714	22795	21419	23181	21056	22633	14605	7656	22132	23742	27137	49302	10086	31613	16906	15879	14733	17768	13945	29475	39574	33226	22155	11943	28021	16736	125780	11439	45793	17026	18073	17755	13747	21730	17183	30892	23567	23658	14534	15600	35160	40703	14913	0	0	0	16894	21183	0	19611	19906	27460	24072	22977	0	23518	25477	14342	19917	13538	13909	18741	26881	18933	18994	9490	24781	20468	18945	137318	68108	109413	15038	13592	16358	10591	16221	0	14769	30084	18357	18324	16875	14705	40648	33028	15354	29900	17110	16791	20733	14990	10828	28766	23070	18801	0	23333	25120	20019	38684	35234	26068	13429	28120	15511	19261	23816	0	17666	16435	Phytochemical	0.20689656	1.1034483	0.0
20	C29 H32 O6	477.22717	477.22772	-0.118289106	477.2271	20227	18374	12960	13692	13708	6058	12186	12266	11378	11136	16910	13770	8327	6819	13615	20977	26013	6547	10614	17651	16887	11476	13570	17502	15035	42835	14318	17756	10678	13142	13264	10831	15247	6810	16761	10240	15080	13140	25075	14381	17649	6527	0	0	0	6420	12909	0	12950	12477	15315	16883	10996	0	12285	10665	10850	13871	11850	18812	14930	13511	13642	9881	9889	9395	11437	26993	33238	37400	48404	11357	7815	14979	19641	14142	0	9907	27484	9584	18621	9539	14251	15128	15304	9601	29602	12872	10994	33059	11032	15460	19156	8714	7033	0	14872	17281	11632	18784	14205	19105	12630	16638	7863	16561	13247	0	20623	8134	Phytochemical	0.20689656	1.1034483	0.0
28	C29 H32 O6	477.22717	477.22772	-0.060811944	477.22714	5080	3051	3963	4886	8361	1683	1400	5403	3557	4425	5143	2529	3951	2441	2222	2606	4238	2235	5271	6552	4312	5637	3191	4271	2598	20311	2399	7760	4014	2989	3180	3809	4885	3062	5669	3155	3211	2383	2860	5796	6079	2500	0	0	0	4243	3902	0	2863	4421	4714	5657	4008	0	3544	4499	3592	5252	2313	2315	4343	3865	3871	3966	1918	8458	3940	2932	23964	12225	22356	1690	2040	4174	0	3538	0	2041	5031	6076	3584	3359	2688	6189	7615	3758	6661	3314	2741	3575	3493	2481	3455	3805	0	0	3931	4456	4159	13346	12572	3268	2570	6138	2917	2711	2628	0	1861	1838	Phytochemical	0.20689656	1.1034483	0.0
6	C23 H32 O7 N4	477.23438	477.23514	0.055583656	477.2344	1637	3557	2081	3575	962	1819	2023	3485	611	1434	1573	1661	0	416	2679	4435	1330	828	1072	1461	1335	2101	2674	4728	2981	0	1220	11224	2816	2634	3125	1705	3705	2549	2980	2191	3241	2912	2457	1318	1458	1381	0	0	0	0	0	0	3225	2542	3176	3839	606	0	1687	0	1037	3273	1319	1433	3317	1453	0	0	660	1162	1235	3248	0	0	0	1784	2677	1457	1352	1889	0	1682	2362	31166	1742	507	2086	1285	0	0	2826	1419	1577	4649	48920	21131	6381	4827	1829	0	2805	2217	0	0	0	2127	2244	2521	0	2548	687	0	3229	0	Peptide	0.3043478	1.3913044	0.17391305
10	C23 H32 O7 N4	477.23438	477.2352	0.0939498	477.2344	5231	6724	5795	5498	0	2837	2435	3228	855	0	0	1460	0	0	1497	1885	1406	0	2265	0	0	4199	2271	3439	2481	0	0	18510	3193	2347	1609	3171	3315	2637	4228	0	3001	2974	0	0	1506	2048	0	0	0	0	0	0	4667	2296	6179	5331	0	0	0	0	0	5987	0	0	0	0	0	0	0	0	0	2756	0	0	0	0	1256	2114	1736	1540	0	1787	2267	105183	0	1065	769	0	1192	0	2639	0	1397	3042	465113	107769	3858	17618	4059	0	4590	5463	0	0	0	2877	1236	0	0	1989	0	0	1414	0	Peptide	0.3043478	1.3913044	0.17391305
8	C23 H32 O7 N4	477.23438	477.23508	0.11190597	477.23444	6209	7648	3064	4343	867	3375	2740	0	1136	1854	3023	1490	0	0	2158	5864	1383	0	1455	1717	0	5516	2168	2924	3137	0	1905	21725	2143	1553	2016	3340	2315	2999	2048	2187	4683	1197	2978	0	1190	989	0	0	0	0	0	0	2682	1917	5739	4803	1105	0	935	0	0	4026	0	0	5369	0	0	771	0	0	784	4371	0	0	0	1998	3813	1576	1816	2455	0	2475	1702	85845	1391	0	1286	0	0	0	1483	1113	1080	4672	194245	66009	6794	16854	4501	0	5028	5841	0	0	0	3569	1382	4091	0	2413	0	0	2673	0	Peptide	0.3043478	1.3913044	0.17391305
12	C23 H32 O7 N4	477.23438	477.23483	0.15975341	477.23447	0	4874	0	0	0	1381	0	0	0	0	0	997	0	0	0	1441	0	0	0	0	0	0	1370	0	0	0	0	13620	4045	0	1546	2491	0	0	0	2185	2040	0	0	0	0	1110	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1282	0	0	0	0	1695	1574	1715	0	0	0	0	2210	58687	1823	0	981	915	0	0	2715	1431	1183	0	165784	61390	2162	4642	2093	0	3778	0	0	0	0	0	1372	0	0	1973	910	0	1593	1256	Peptide	0.3043478	1.3913044	0.17391305
28	C26 H36 O8	477.2483	477.24887	-0.059448466	477.24826	28817	23282	28860	27669	27353	14685	25660	33334	27712	36158	21781	17350	34576	13292	17160	30198	17579	24917	47027	44307	42273	22343	18559	24004	19435	46705	20684	25132	62709	60919	43944	41855	57881	36578	50956	50569	53428	15643	16390	24199	21673	17948	1531	0	0	18587	13720	0	56647	32456	26365	25675	21008	0	33722	25709	16812	38799	19720	11262	33465	14002	31150	26277	18322	31963	19703	17092	42822	63576	65474	28707	24958	31072	26092	34664	0	19848	24514	13562	17474	12143	17118	18128	24940	16086	26323	15640	27639	16239	27662	28654	25209	14381	18300	0	28214	29290	14644	26010	31385	52417	21907	60345	12076	25808	21505	0	14219	27626	Lipid	0.30769232	1.3846154	0.0
26	C26 H36 O8	477.2483	477.24893	0.042317066	477.24832	200540	198830	208567	184822	131190	103020	206246	299180	159375	211098	122730	378047	184086	88948	122095	202343	71526	170155	284417	349728	267002	136884	107405	138942	128744	201280	209898	139145	759687	880758	633070	498760	501705	504531	312097	530896	439387	96865	77232	170245	102527	124530	0	0	0	127761	60732	0	941192	366064	218090	204095	113110	0	221072	149068	129665	294045	154698	46905	255724	98675	179440	189082	158116	144704	140860	78456	182440	347423	238780	423862	288529	258661	196502	532646	0	429694	124068	66839	94252	67712	116953	105611	137869	103938	120457	84412	220509	79922	142334	172681	189146	76412	120629	0	179129	231458	96544	146064	143593	474228	491045	959002	80690	110658	103547	0	80118	175420	Lipid	0.30769232	1.3846154	0.0
20	C26 H36 O8	477.2483	477.24887	-0.05658704	477.24826	425758	419718	394033	375197	347316	230195	306528	397454	393367	478197	341147	261646	370774	215035	388993	466085	395566	361324	500639	583949	567054	342464	322810	421338	304302	588140	312463	327288	413719	383245	333093	401302	464510	318548	540385	390917	447546	302111	408551	353460	320212	274321	10131	1923	309	288038	263925	1662	404677	334407	410271	406820	316286	1818	461737	367315	243157	432369	307816	263956	388230	227878	391216	365204	215524	344104	268915	412646	433974	676031	677248	305802	328162	398304	413958	379011	431	278501	444423	228045	340929	193050	345063	347943	428652	277551	443440	239813	298343	416606	409845	408398	480547	223401	285530	2005	406352	416292	266636	380479	401331	480829	266584	453869	227221	346402	349618	1382	312496	418607	Lipid	0.30769232	1.3846154	0.0
4	C20 H36 O9 N4	477.2555	477.25638	0.39380208	477.2557	0	408	504	0	0	2515	0	0	0	0	0	0	288	0	0	0	0	487	0	0	0	0	0	514	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	746	460	0	0	0	0	0	404	0	0	0	0	0	0	0	277	0	0	0	0	0	0	0	0	0	0	0	0	0	10959	0	0	0	0	0	0	399	0	0	1306	55094	15158	1081	1120	0	0	493	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45	1.8	0.2
6	C20 H36 O9 N4	477.2555	477.25577	-0.07939123	477.25546	0	2123	1241	646	0	2029	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6429	0	0	0	0	897	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22477	0	0	0	0	0	0	0	0	0	0	105124	49834	0	2540	0	0	742	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45	1.8	0.2
20	C30 H36 O5	477.26355	477.2641	-0.050868943	477.26352	4915	7666	2372	4360	3471	0	7222	3670	4417	0	1759	5324	0	3344	7533	10915	15465	1881	3124	3173	0	2823	3144	6078	8347	4081	7502	0	6250	4140	3479	3588	4680	2719	3883	5510	6076	6291	14709	1646	5496	3797	0	0	0	0	2593	0	4385	2904	4608	4008	4113	0	3508	3762	3150	7877	3678	9968	4765	0	4168	1732	3895	0	3949	16615	2880	5012	7815	2704	2995	5043	9598	4275	0	3654	18210	3774	7965	3129	4188	0	6708	4428	24864	0	2208	16265	4354	8176	11546	1871	2562	0	8631	5496	3004	8360	8151	8373	3966	4149	1884	5913	4733	0	12925	1863	Phytochemical	0.16666667	1.2	0.0
28	C30 H36 O5	477.26355	477.2641	-0.105989955	477.2635	8339	6883	6838	6426	6580	3521	7807	13726	6250	2692	8266	4437	11129	4682	6468	11477	6691	5606	8355	6895	5166	8380	7528	9703	11311	24396	6525	9052	10296	11183	7538	8748	17106	7621	4485	14211	10294	7701	7740	5606	7055	7536	0	0	0	5431	3900	0	9100	8510	6503	9150	7470	0	8203	11846	4189	11241	5070	4036	9380	3983	4847	6871	2908	9965	13038	9440	21472	9563	16213	4308	5728	9759	2988	6426	0	6740	14556	16202	8580	5054	7481	8739	11640	5882	23735	5715	6985	13276	8059	7215	11165	18971	4777	0	6384	8890	5754	22305	24202	17139	5249	13124	4901	11804	10080	0	9898	4241	Phytochemical	0.16666667	1.2	0.0
12	C24 H36 O6 N4	477.27075	477.27106	-0.12296791	477.2707	0	0	2032	0	0	0	0	1496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	116893	0	0	829	0	0	0	0	0	0	0	104312	21214	0	6235	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.5	0.16666667
8	C24 H36 O6 N4	477.27075	477.27118	-0.11758289	477.2707	2799	1285	1409	1356	0	3277	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11871	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	823	1095	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	78753	0	0	0	0	0	0	0	0	0	0	226635	69226	0	6738	0	0	0	2543	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.5	0.16666667
10	C24 H36 O6 N4	477.27075	477.27106	-0.09790823	477.27072	0	0	1198	0	0	0	0	0	0	0	1588	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1084	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	89626	0	0	0	0	0	0	0	0	0	0	160256	37006	0	5167	0	0	1502	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.5	0.16666667
18	C27 H40 O7	477.28467	477.28528	-0.09883071	477.28464	19832	14202	16848	13614	10257	3299	24009	19334	11634	6625	5742	12456	8296	10603	16830	26074	47667	7619	17663	7306	6281	4507	13571	11597	16299	4688	27163	5734	18224	19241	17405	25720	20639	9481	7385	27168	18696	16240	56899	2327	7226	8258	0	0	0	7359	6722	0	19812	17035	15013	18842	10005	0	19996	13606	11514	26471	6451	13843	17933	1736	11335	16174	12797	9836	11828	65696	5586	4797	11345	8267	9045	24106	46503	18468	0	9563	28433	8096	16716	4297	12677	7440	26625	19886	41758	9970	10819	41445	9784	11197	14178	6308	4148	0	16010	9485	11911	28939	31631	28641	13999	13993	4009	14082	18621	0	22477	6511	Lipid	0.25925925	1.4814814	0.0
16	C27 H40 O7	477.28467	477.28528	0.03992016	477.2847	3270	6301	2923	3552	0	0	4589	3344	1872	0	0	5345	0	1739	5715	5273	23028	0	3075	0	0	0	1347	0	2257	0	6111	0	6565	5614	4822	4446	4513	1430	0	4548	0	5420	29189	0	0	2171	0	0	0	0	0	0	6090	3556	3542	4001	1208	0	4289	2241	1963	4159	0	0	0	0	0	2143	1291	1970	2717	22485	0	0	0	0	3113	5025	16021	4916	0	4180	10227	0	2737	0	1071	0	4902	3937	10322	1466	1819	0	0	3145	0	0	0	0	0	3260	2035	7752	6123	8471	1955	1810	0	0	2794	0	6395	0	Lipid	0.25925925	1.4814814	0.0
24	C31 H40 O4	477.29993	477.30045	-0.071358055	477.2999	1910	4981	3387	3296	2731	1355	6694	7363	4613	0	2202	6485	0	2445	7254	5842	24257	1518	2935	0	0	2216	3901	3960	6388	4132	8464	4546	4257	7815	5794	4710	3679	1314	0	7074	4342	6240	24215	2136	5101	1818	0	0	0	2294	1854	0	6113	6661	3584	3281	3076	0	4724	6064	4930	6934	2969	5062	4865	1335	1633	3533	4645	0	2996	25046	4273	0	4494	2356	1354	4790	10064	9554	0	4802	12299	3377	7522	1812	4295	2152	6738	3472	14364	4805	3596	17836	1968	2775	5586	2263	0	0	3060	5584	3963	8054	12109	11905	3570	4747	1475	7327	5914	0	9367	1409	Phytochemical	0.12903225	1.2903225	0.0
26	C31 H40 O4	477.29993	477.3004	-0.11820694	477.29987	5831	10143	8038	6742	8460	3019	9297	16040	8590	2626	6164	9917	0	5826	9994	15704	19724	0	6652	5694	0	4685	5530	10404	14439	13340	9862	8401	6438	14755	11288	12589	12485	4866	2120	18821	12163	13824	26483	6114	5233	0	0	0	0	0	0	0	9698	15191	8674	9789	6009	0	11215	11602	8716	14676	7701	8034	8866	0	3153	4922	5313	5439	7532	27079	9749	3253	9081	2680	7591	15116	11845	10603	0	9469	16734	9508	9136	4403	9009	5132	14349	13325	18267	5378	4407	19058	5141	7098	9904	5563	0	0	6553	7985	7094	20821	16262	15319	6741	8577	0	9628	10485	0	14756	2401	Phytochemical	0.12903225	1.2903225	0.0
14	C25 H40 O5 N4	477.30716	477.30746	-0.13113652	477.3071	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36278	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	202226	0	0	0	0	0	0	0	0	0	0	126032	13723	0	5527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2	1.6	0.16
22	C28 H44 O6	477.32108	477.32153	-0.14071687	477.32098	12294	9369	7637	9791	10400	4299	34144	21154	4614	0	2909	11201	3898	8813	13890	25489	56635	4418	6794	3494	0	2377	5682	7659	16898	0	26447	6929	15109	29734	19172	23334	18727	9313	2543	30605	17484	14191	53849	0	0	6900	0	0	0	0	3933	0	17844	19215	12585	9127	8906	0	7135	9200	9991	18517	3300	8682	12415	0	6190	8728	14177	4589	10429	64104	1938	0	0	5536	9194	45739	39316	25899	0	9275	15517	7453	8127	3103	13549	4506	16200	15326	25109	7279	9803	39124	6910	6693	5990	3287	2109	0	13683	13722	3681	15635	19172	23464	12286	4724	0	10699	17283	0	14120	4866	Lipid	0.21428572	1.5714285	0.0
20	C27 H44 O5 N2	477.3323	477.3322	0.06446425	477.33234	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2714	0	0	0	0	0	0	0	0	0	0	2175	0	0	0	1831	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9500	0	0	46885	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.18518518	1.6296296	0.074074075
28	C29 H48 O5	477.35745	477.3581	0.17465316	477.35754	3350	3288	4573	3211	1440	1630	56337	15009	1264	0	5742	2703	0	7400	3113	10335	10173	0	2023	0	0	2787	1893	0	6018	10249	40952	6054	6133	5883	5912	4809	3766	2815	0	7843	2078	4137	9117	1074	1468	0	0	1155	0	0	2106	0	6389	6099	3807	2543	0	0	0	2656	3852	5740	2938	2372	8906	1923	2546	1038	7756	1328	3724	10948	3222	1543	1009	18089	3557	9186	3776	4576	0	1459	6007	7945	2284	3798	3297	3860	2438	2721	14811	0	1972	9872	7167	3345	2623	3286	3334	0	2110	4414	3379	3143	6913	5244	3722	5846	6079	2611	3117	0	5028	1680	Lipid	0.1724138	1.6551725	0.0
26	C29 H48 O5	477.35745	477.35776	-0.19168381	477.35736	5153	3809	3904	3714	0	0	73395	0	0	0	3885	5335	0	10075	6475	10048	18801	0	0	0	0	0	0	0	6042	0	73447	8880	7643	18620	6073	6130	3822	4323	0	12004	3224	8344	22868	0	2761	0	0	0	0	0	0	0	7456	7922	3075	4561	0	0	0	0	3184	9341	0	6652	12673	0	2683	0	12376	0	4038	23459	0	0	0	2477	4532	15880	12479	9780	0	3775	6709	5403	0	3807	6270	9850	0	0	27088	0	2388	23734	2834	0	0	0	0	0	2216	5025	3951	0	0	10687	2901	5272	0	3924	0	0	7404	0	Lipid	0.1724138	1.6551725	0.0
28	C20 H15 O13 N1	478.0616	478.06232	0.17194289	478.0617	4352	3225	3066	3872	8481	5328	0	0	10318	1812	1031	1100	22700	2504	0	0	0	15807	9537	0	2896	7180	2154	0	0	0	0	0	0	0	916	0	0	0	2685	0	1508	1220	0	817	4693	0	0	0	0	2110	10074	0	0	0	3265	4123	4167	0	9120	6830	2364	0	0	0	0	1921	20320	10043	1577	11289	2932	0	0	0	0	0	0	0	0	0	0	1310	3434	3232	3007	2099	0	0	12464	3784	2304	2469	3746	1157	0	0	2292	8385	5435	0	4798	3954	4434	6219	9329	0	0	0	5647	2028	4123	0	0	19474	Phytochemical	0.65	0.75	0.05
26	C20 H15 O13 N1	478.0616	478.06226	-0.027329676	478.0616	3023	2877	3497	2963	6998	3721	0	0	6129	0	0	0	19551	1981	0	0	0	11147	10742	0	0	6231	4953	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2282	0	0	0	0	0	0	0	0	0	2695	2947	4273	0	10375	0	0	0	0	0	0	0	20452	7895	2406	11612	0	0	0	0	0	0	0	0	0	0	0	0	2308	0	0	0	0	0	11103	0	0	0	4825	3458	0	0	0	6853	0	0	2186	0	3606	7061	6576	0	0	0	0	1714	5545	0	0	21305	Phytochemical	0.65	0.75	0.05
10	C21 H19 O12 N1	478.098	478.0988	0.118740074	478.09805	7868	5655	8951	9238	12002	4491	2049	1335	15720	21563	14104	3801	23209	2725	1184	1947	2073	10469	16053	9597	21733	25882	3803	2280	0	0	2881	0	0	934	0	1296	3033	0	31427	0	3803	2835	4168	7431	23770	4535	0	0	0	11283	39143	0	0	1650	8286	7419	7786	0	16483	14907	4712	2061	0	3023	0	11033	29946	20188	4132	16643	4296	4090	6887	2861	9471	1442	1206	0	4578	988	0	2249	4716	17079	4251	13577	1578	2160	16853	5458	5336	3469	3546	3909	0	1629	5929	30299	20391	0	6083	5067	16807	18810	15831	2559	1336	0	19692	3566	12484	0	1103	23553	Phytochemical	0.5714286	0.9047619	0.04761905
24	C21 H19 O12 N1	478.098	478.09863	0.04485638	478.09802	5734	7180	3720	4097	8352	7173	0	0	13440	9500	2422	2019	18892	2946	1941	0	1662	15456	9219	8192	11494	18549	4764	1029	0	1598	1443	0	1196	0	0	0	1554	0	9939	0	0	818	0	7284	7748	2143	0	0	0	16308	35391	0	0	0	5577	5902	6270	0	16795	9050	1949	0	1421	1351	0	6013	20981	11761	3598	11180	2124	0	3883	3991	4054	0	0	0	0	0	0	2014	3913	10541	3596	16550	0	1941	12627	6371	3499	1725	3231	0	1743	1865	1451	20717	17066	0	5256	4914	7194	8968	9374	1471	1326	1780	19015	1176	6981	0	1407	21701	Phytochemical	0.5714286	0.9047619	0.04761905
22	C21 H19 O12 N1	478.098	478.09872	0.048621178	478.09802	10085	8844	11129	5763	14848	12767	1159	1996	21461	16277	8089	1244	29189	7267	4753	1633	1533	22080	10970	12845	18342	34277	5397	3235	1212	4418	0	0	1275	0	0	0	3163	2024	22683	1529	3777	1320	0	8997	8138	4544	0	0	350	23576	52682	0	2691	1161	11002	5326	10590	295	22278	20137	4809	2226	1606	0	2596	9911	35149	22679	4205	13020	5560	0	5387	3933	3639	0	1238	0	0	0	522	2043	6841	17037	5778	24506	2193	4211	21654	9242	4320	3427	5567	2611	0	0	4504	33236	34851	0	7185	7637	11846	16389	15561	2927	1259	2411	25614	2527	13726	0	0	31184	Phytochemical	0.5714286	0.9047619	0.04761905
28	C21 H19 O12 N1	478.098	478.09854	-0.023376228	478.098	5155	3043	4812	3965	6841	6748	1303	0	8896	11472	3858	1278	15271	2599	2130	2613	0	14215	8581	8659	10088	13396	2315	0	2824	0	1155	1267	0	0	0	0	1342	0	14866	0	1380	1424	0	5129	7183	0	0	0	0	13322	22657	0	0	0	5828	6067	5725	0	11777	6416	2539	2140	1589	0	0	6040	15751	9545	2413	8177	3553	0	4541	6188	4876	0	0	0	0	0	0	0	5987	7286	4164	9314	0	2741	8415	4295	3137	1703	3621	1637	0	2958	4347	12390	19715	0	7168	6832	4983	4747	8758	0	971	0	12594	1473	6524	0	1984	16667	Phytochemical	0.5714286	0.9047619	0.04761905
14	C21 H19 O12 N1	478.098	478.09872	0.04571093	478.09802	27502	29994	25643	23255	36161	22220	2615	4455	48526	58926	48142	7067	71771	15337	8048	8662	5344	46438	43111	50566	74584	103341	12751	7442	2419	3894	5496	12825	4899	5466	3428	0	11523	2612	84771	4151	10349	6900	5623	31476	65149	16086	0	0	0	55963	116075	0	5197	3289	28639	27238	23142	0	61896	42271	17454	7835	8483	7065	0	48391	82565	46581	20491	31985	16160	6498	22179	12201	18252	2222	3006	1646	6940	3893	0	6715	18037	71677	8992	53048	2646	12186	44144	19658	17965	13917	14325	16612	5488	11849	12054	101217	74600	0	22720	30565	34153	44707	40371	9265	8694	5846	78667	9703	35582	0	5254	69961	Phytochemical	0.5714286	0.9047619	0.04761905
18	C21 H19 O12 N1	478.098	478.09866	0.037501458	478.09802	24165	30580	21590	17628	45875	21063	6298	5208	40658	47170	19512	5334	83872	11165	9195	5367	8736	54216	38732	35546	63188	86962	17921	11026	2619	6972	5871	10109	5755	3828	2894	4289	7042	0	50861	2068	11267	9644	4668	36200	40202	11507	1409	0	0	57854	96017	0	4551	4494	25936	24403	28728	0	65946	38810	16451	10989	8184	5151	7649	39709	81996	50254	14200	44525	18657	2482	17403	7896	13756	1825	2745	2152	4987	0	0	5773	17181	54728	13720	65031	3193	10734	56677	27624	16287	15430	15426	9857	5163	13267	13368	75229	87290	0	26330	29432	37135	43018	44066	8379	6338	5607	54787	7890	31755	0	4314	69164	Phytochemical	0.5714286	0.9047619	0.04761905
26	C21 H19 O12 N1	478.098	478.09872	-0.009235131	478.098	6939	4487	3495	6028	7570	5042	0	0	10944	10963	2337	0	18737	0	0	0	0	12259	7912	8202	13072	16159	0	0	0	0	0	0	0	0	0	0	0	0	10910	0	2568	0	0	5524	7751	0	0	0	0	14071	24034	0	0	0	5496	2769	5234	0	15454	0	0	0	0	0	0	6502	17420	8951	0	10535	2954	0	0	3022	4679	0	0	0	0	0	0	0	4557	6325	3845	9568	0	0	7501	0	2911	0	0	1736	0	0	0	12628	20932	0	4248	5626	6444	6972	5739	0	0	0	13710	1305	7284	0	0	19975	Phytochemical	0.5714286	0.9047619	0.04761905
20	C21 H19 O12 N1	478.098	478.09863	0.045916054	478.09802	14121	12248	15214	12651	24558	12675	4239	4879	30638	21165	13542	3007	56985	9540	9979	5516	3262	38531	33118	20929	42699	57939	7924	2732	3177	4756	1797	3439	0	0	1593	1523	5055	0	24422	1611	5812	4771	3626	21559	25355	7603	1082	0	380	41523	76652	1100	1432	1592	16211	17564	16619	0	31754	32131	10417	5347	5455	4292	3897	23770	42339	36756	14560	30232	10728	3431	7804	4497	9956	4283	0	2083	1703	1419	598	5075	10330	38691	9087	33945	0	0	32147	16854	10629	10408	11129	2956	5895	7265	8903	58548	42428	0	13989	17339	22448	25119	30743	6150	2929	3739	60230	4406	30719	0	5660	51962	Phytochemical	0.5714286	0.9047619	0.04761905
12	C21 H19 O12 N1	478.098	478.09875	0.087293595	478.09805	15486	18987	12956	17059	21072	9768	2873	3781	32715	33943	35323	4124	48110	5669	2838	5583	5381	27158	29476	27354	53861	66959	8352	3158	1271	2541	1472	8385	1493	1476	2621	2244	3597	0	64701	1652	6002	4645	4747	24334	55637	9966	589	0	0	31185	79007	0	1802	2180	14498	15402	13240	0	29844	27296	9377	7403	5396	7207	0	25782	62130	31938	8078	33029	12288	5766	23358	3411	17811	1820	1403	1047	3170	1199	196	4482	11819	25816	10561	31308	3895	6516	32100	10270	8503	8284	10115	8981	2611	9225	9308	76096	38171	0	13770	17151	26427	30251	29601	6541	4801	4379	60156	5536	22570	0	1332	47566	Phytochemical	0.5714286	0.9047619	0.04761905
8	C18 H23 O14 N1	478.11914	478.1199	0.02072972	478.11914	1608	2486	1615	0	7916	2233	930	0	6998	0	0	2325	19398	1338	1285	1099	2223	8653	10053	1514	2117	3194	3407	0	0	535	1027	0	1543	1128	0	953	2138	781	0	1229	1072	3204	1453	0	955	3723	0	0	0	0	5248	0	968	1036	1748	1469	4107	0	10598	12653	3768	1200	1104	1453	0	0	16963	9389	3574	8183	1919	1675	3442	0	0	991	0	0	2164	1194	0	803	2820	0	1477	1511	633	0	14835	0	1592	3555	3615	2345	0	0	2670	5006	0	0	1598	3335	6402	15696	21788	1110	2727	0	0	1550	9899	0	726	17328	Phytochemical	0.7777778	1.2777778	0.055555556
12	C18 H23 O14 N1	478.11914	478.11987	0.0170523	478.11914	6800	6301	8074	6636	23940	11021	0	3123	35426	0	6906	5174	64222	5137	5310	2508	8871	37815	40504	0	11649	0	16958	3423	0	0	0	0	2252	1791	2354	2359	8496	2668	6042	3450	3389	4599	4837	0	0	18172	0	0	0	8011	21522	0	2052	2848	7771	7559	14667	0	46260	43201	10242	3097	0	0	0	0	57948	35295	11085	30773	12336	5869	0	0	0	1799	2023	2716	4770	1751	0	3660	7139	0	4049	8583	0	1483	34615	11069	7875	10573	11327	0	0	0	6500	20102	7174	0	4811	10723	24458	33558	41156	8005	5241	0	0	2280	29239	0	0	60028	Phytochemical	0.7777778	1.2777778	0.055555556
18	C22 H23 O11 N1	478.1344	478.135	-0.022455633	478.13437	88429	75509	80775	80727	73719	57798	21250	38845	80376	236613	101536	21041	163170	40486	42577	42508	21068	135028	130744	188392	188264	174724	51539	45486	37489	77470	22575	62170	34785	25674	29047	31499	54043	28463	287393	29417	55476	33336	21988	155033	101644	38030	3176	0	0	197047	190097	403	37175	33871	75654	74995	59802	534	124664	72706	40044	45783	43500	23250	43134	113890	129956	90228	33530	97796	52107	23007	89174	98375	101627	31351	24157	26189	19926	27906	425	27911	52850	116975	40916	147426	33315	93962	86803	60768	43654	34784	39266	24172	53657	82899	64413	137942	200286	583	83858	89248	73981	59447	66923	42333	26891	53066	149181	40577	60180	0	31698	126169	Phytochemical	0.5	1.0454545	0.045454547
24	C22 H23 O11 N1	478.1344	478.13495	0.049376544	478.1344	9570	8084	7908	10616	13916	8215	1795	3478	13071	32235	7655	2472	22930	13908	3930	2377	0	20745	9680	15193	25113	21533	5825	5091	3613	9786	0	4547	0	0	1144	2446	1944	0	27030	1425	2279	2517	1167	16283	12551	1809	0	0	0	30890	35501	0	0	0	6446	8569	8145	0	20904	10599	5804	2118	4254	1893	2418	13331	26815	16514	44148	9539	5562	0	11940	21593	16530	2342	2112	0	0	2671	0	1812	7988	13371	8003	23659	1722	7143	14569	5643	4780	2274	3527	2008	3255	5469	6803	18149	36358	0	11355	8587	8373	9487	9776	2467	1991	4072	22473	3351	11038	0	2469	20418	Phytochemical	0.5	1.0454545	0.045454547
20	C22 H23 O11 N1	478.1344	478.13498	0.001875877	478.1344	51227	45844	43649	44091	48506	43468	15406	18005	61054	138639	49923	12927	103601	27821	23095	20723	10713	81938	67421	102380	118830	105338	25859	25519	16539	51803	10156	29920	18034	10506	14650	11008	26460	14895	146794	12672	28722	17040	6884	87607	50673	21418	2751	0	399	134762	143346	969	14818	12941	52513	39649	39398	522	77124	52971	25130	26159	20260	9399	24972	69943	92141	49961	19610	49222	29510	9377	58497	77258	56346	18887	10083	8627	10305	12761	412	15778	28152	70749	23849	78477	19266	54727	61604	36789	24283	18734	21739	12823	20006	44366	35837	91476	113726	607	43624	49691	44515	40963	48091	21823	13281	25988	103393	17481	49681	626	12840	100664	Phytochemical	0.5	1.0454545	0.045454547
26	C22 H23 O11 N1	478.1344	478.135	-0.020402325	478.13437	6791	5374	6194	5714	4788	5817	0	0	10676	25448	4369	0	14130	3537	0	0	0	13115	10508	14399	16600	12408	0	0	0	7381	0	2070	0	0	0	0	0	0	21083	0	2535	0	0	10970	9118	0	0	0	0	14622	20495	0	0	0	4599	5754	3460	0	7860	6935	3343	0	0	0	0	6692	15536	8362	0	7728	3282	0	6553	14635	15312	0	0	0	0	0	0	0	3713	0	2549	14673	0	5867	7864	0	0	0	2243	1785	1593	1877	0	8392	18248	0	8612	6814	4362	4003	4679	0	0	0	11049	0	6673	0	0	19699	Phytochemical	0.5	1.0454545	0.045454547
28	C22 H23 O11 N1	478.1344	478.1349	-0.022773433	478.13437	5538	4171	6272	5566	6735	4843	0	0	5459	21984	4035	1186	11637	3015	0	0	0	7536	6965	12624	14764	10917	2719	2324	0	4797	1742	2917	0	0	1354	0	3253	1175	17271	0	3116	1140	1354	10333	7123	0	0	0	0	24837	36568	0	976	0	5492	3796	5288	0	5920	3649	1948	2093	0	1190	2828	6965	9259	4714	2204	7957	2703	1152	9209	16088	12668	1294	1260	0	0	0	0	1541	3260	5905	2710	14680	1463	5751	5625	2654	3599	2136	2389	1946	3262	5111	0	7446	15494	0	6556	8055	4190	2522	3519	0	0	0	19402	0	2437	0	1803	11676	Phytochemical	0.5	1.0454545	0.045454547
14	C22 H23 O11 N1	478.1344	478.1351	0.016158624	478.1344	107787	100918	85079	87920	76031	52533	39747	60874	90319	282140	138484	34313	143855	39123	45410	60511	45948	106064	96455	207417	224478	230531	64438	66731	31842	84161	36682	96892	41138	42008	41893	54532	61310	40056	349296	43566	53741	41745	42053	177711	178879	44841	0	0	0	198876	227756	0	44875	45173	92417	100416	57108	225	107946	80537	38697	63965	82796	46255	75292	142232	147259	89565	33913	85440	56085	37245	125594	133754	128047	43132	37447	38987	34064	47332	0	36815	53090	137379	46115	138447	38719	96904	73796	44706	55066	45417	42810	55306	52530	78822	87308	164014	193585	523	93266	100600	66588	73839	65289	63777	33888	70893	234205	51463	58345	0	33531	119193	Phytochemical	0.5	1.0454545	0.045454547
22	C22 H23 O11 N1	478.1344	478.135	-0.001784613	478.1344	21750	18550	21692	16867	27874	18390	4706	6510	26641	71574	20049	4282	36975	13084	11443	8711	3375	36765	26251	40841	54652	45657	12193	7677	8304	25920	2921	14798	3727	3563	5080	5954	6640	5775	55530	3675	12214	8719	4812	31934	28015	6901	0	0	281	60034	80441	0	5980	3611	14364	24756	19590	404	34847	27175	12562	3597	9820	3499	6986	34059	37789	28439	11471	29183	16445	1660	30834	33497	26287	4222	3233	1573	4222	3379	256	5619	11690	32403	11663	49911	4813	23588	31604	17960	15263	10969	10252	5404	7422	13268	13791	44221	58646	0	18261	19336	18186	21560	22629	5286	7248	6392	56651	8605	25604	0	5068	50784	Phytochemical	0.5	1.0454545	0.045454547
16	C22 H23 O11 N1	478.1344	478.13507	0.054463916	478.1344	90749	97935	91935	98911	81878	58901	28834	53368	109314	300019	133434	33935	172967	44842	55848	55843	31270	134163	142125	251467	250955	238177	65496	54211	38712	81436	31653	82094	40607	41453	48364	44800	63709	42933	412006	44776	76074	41510	32817	197814	142886	49331	2930	0	0	225842	227929	0	54196	41818	95246	90802	70904	233	140468	82195	40657	59713	56652	40077	57250	132074	162209	102555	39578	118700	70126	37503	114698	127987	125143	43806	42203	36312	37855	37998	0	32240	62123	134424	51059	172183	45539	105306	86633	57123	52539	49733	52851	64503	73569	93529	105066	170304	242566	0	105624	105143	75784	76747	70651	67755	32013	58918	185835	72858	77525	335	42420	148328	Phytochemical	0.5	1.0454545	0.045454547
10	C22 H23 O11 N1	478.1344	478.13513	0.037016504	478.1344	42480	45123	36796	34222	29900	19115	15077	25693	44266	108269	71963	18950	54728	13187	16236	26927	18566	41900	41978	75580	108936	82691	20821	32364	10833	27137	20961	29678	17347	21434	16964	20641	26034	18568	146933	16948	26214	14669	24067	71452	82760	17404	557	0	0	66668	106905	0	24011	19160	38954	36573	19934	0	43970	28841	16856	25407	20115	23856	21622	55071	59387	41016	14011	37557	22329	22325	47305	42076	64293	22703	17814	17890	15451	19601	0	16783	24340	37598	22590	48111	15078	28497	34067	16577	26466	17700	21118	30104	11900	29353	38273	67732	80684	0	40499	42576	34628	25599	32184	24210	15661	29668	76728	29044	30281	0	13127	54690	Phytochemical	0.5	1.0454545	0.045454547
6	C22 H23 O11 N1	478.1344	478.13522	0.028813515	478.1344	4572	7965	5340	3804	5376	1697	2067	3435	8852	18581	13037	2223	11204	2537	2415	2986	2913	6801	7985	8251	17838	11862	2832	2370	0	2105	1390	2659	1724	2131	2471	1731	2486	1542	21969	1483	3171	2600	4589	6442	16242	2996	0	0	0	7939	19840	0	3783	3084	7174	7060	4535	0	10874	6880	2181	3232	2588	4194	2443	6587	13615	8593	2809	7142	3216	4018	5584	4065	10483	2019	2047	0	0	2556	0	1840	4321	7044	2053	4721	2139	2734	7675	3408	3135	2451	3102	5413	0	1523	8253	11428	12040	0	5921	5011	5838	8015	8447	3914	2559	2830	0	2356	8173	0	2193	13765	Phytochemical	0.5	1.0454545	0.045454547
12	C21 H23 O10 N3	478.14563	478.1463	-0.031401128	478.1456	25245	22493	27195	29985	18775	13305	23082	35040	23022	23154	16872	22424	31923	6955	28868	29993	32873	33205	30170	33443	33177	55726	33745	34294	20430	3727	15762	0	31223	19279	25984	24376	38278	22396	43283	20580	29703	28166	32398	46472	47122	18378	0	0	0	45652	53898	0	29866	25684	31818	27292	20634	0	26805	16386	17178	32034	39623	26505	0	32619	36711	24406	14624	31156	18173	40835	0	15222	12446	24224	25571	22571	17535	22796	0	27295	32373	29556	26372	28623	21060	18533	20938	15964	30637	20539	0	60914	19425	39942	57558	33885	22096	0	25146	34002	18238	0	15740	30772	23981	27959	52310	39136	16571	0	14357	32079	Peptide	0.47619048	1.0952381	0.14285715
6	C21 H23 O10 N3	478.14563	478.14645	-0.010723485	478.14563	15143	16133	14143	13258	9644	4150	7338	12856	12164	14402	8959	10985	17894	2587	10680	17524	14042	12645	14448	10911	19069	25065	12332	17637	3824	1437	5560	2196	11183	8247	11741	11177	19393	10523	19974	11350	11712	8342	17028	15065	25905	7324	0	0	0	14919	29092	0	12954	11602	15635	12226	9207	0	16920	9943	5264	16828	7755	15398	16035	13098	18781	13307	7155	13969	10234	24289	3613	4092	10979	13191	10160	7993	8527	9472	0	8074	12099	4099	7643	8270	6792	4911	11342	4953	12143	10250	10820	25959	5014	11326	22838	14784	14657	0	13629	16072	7461	11600	11901	13600	9182	15810	9990	15924	9364	0	7399	20366	Peptide	0.47619048	1.0952381	0.14285715
8	C21 H23 O10 N3	478.14563	478.1464	-0.019524077	478.1456	27684	25238	25293	28612	14609	11047	14773	29420	22495	32332	19079	23638	33133	6111	18123	32113	27519	19572	0	28516	34221	48090	23842	35968	11491	4321	14493	10123	22709	17666	19775	27098	29257	22420	46679	21295	28271	17543	32117	34467	51335	16466	0	0	0	44238	54414	0	25761	25504	30035	27285	12706	0	29801	15583	13328	21856	23802	28660	30792	26579	35737	25425	13847	23748	19593	40418	9832	14248	17014	30009	23352	18112	17877	24560	0	16557	25914	14952	19387	20556	18086	15616	20123	9914	22133	18499	20882	40790	13980	33689	42297	29199	29562	0	27451	30645	14092	0	21812	28237	17163	35282	24433	29792	16758	0	16163	31158	Peptide	0.47619048	1.0952381	0.14285715
16	C21 H23 O10 N3	478.14563	478.14618	0.046922997	478.14563	11068	0	0	10236	6487	8135	8859	12654	9695	6176	0	10754	9366	3788	15363	11005	16552	11782	12575	10443	11168	29457	14373	10905	10163	0	6954	0	13577	11447	9903	9144	9989	10033	15369	8744	16310	10216	12905	12256	12148	9386	0	0	0	13926	14886	0	15121	10004	8981	10431	8135	0	13165	9428	7915	17242	0	9294	20854	12786	10854	6176	5757	8816	9331	10395	0	0	0	11627	10910	10337	11108	9518	0	0	16461	7567	10152	12825	9455	0	9693	6327	13443	0	8181	0	6904	13685	0	6726	8333	0	6529	11201	9635	8592	5697	14798	9140	7425	0	20452	14176	0	14358	12719	Peptide	0.47619048	1.0952381	0.14285715
10	C21 H23 O10 N3	478.14563	478.1463	0.016933743	478.14563	39264	39723	32592	34290	21402	13870	23066	36050	24288	39912	20125	27515	34063	8262	26160	35585	0	30980	0	35463	40702	67214	33210	39881	12348	5521	18935	11618	30992	24185	26496	35507	35813	26415	51772	22885	39384	26115	34602	44580	59305	14826	0	0	0	48590	60933	0	34613	29439	37607	35925	19767	0	33002	20270	13655	39542	37128	31300	34981	29012	39387	28807	16907	0	22397	41309	16403	12583	14698	31218	25367	26571	24777	27697	0	23474	33355	19797	27573	30284	21376	16394	22334	14159	32068	20694	21199	51511	32199	35720	70473	0	36300	0	33052	31812	13473	19736	0	38456	28244	45126	42773	34663	15388	0	25083	43798	Peptide	0.47619048	1.0952381	0.14285715
14	C21 H23 O10 N3	478.14563	478.14615	7.74445E-4	478.14563	17637	19162	0	23376	16196	11835	14293	24412	13192	12019	8903	17860	31270	7120	23171	27529	25200	26709	23987	15514	21227	36661	23026	31436	0	4779	13347	0	18638	15320	14537	21899	0	13262	25931	15700	23871	0	25573	23394	19555	10186	0	0	0	26014	71458	0	16202	20144	19995	20289	12575	0	20960	10775	11330	29065	22683	23913	0	22294	23205	31696	11297	23410	13840	26447	0	7620	5484	14217	12252	8482	0	16138	0	18233	20786	0	16585	19074	12890	9883	16084	14079	23867	13870	18475	36438	15926	30193	0	0	14060	0	25226	25127	12180	10530	13271	22130	14881	22066	0	0	9210	0	16459	29233	Peptide	0.47619048	1.0952381	0.14285715
18	C26 H23 O8 N1	478.14966	478.15033	-0.120538525	478.1496	22258	15259	20428	25268	27699	24241	7033	15149	38993	48139	36143	15035	60051	8816	20688	14624	8675	47299	38828	32522	63463	23660	27808	16364	12077	40375	5950	27626	12318	9299	12298	10058	29641	12995	66303	16049	18045	14815	9435	64022	32191	15218	677	0	0	72909	70672	0	10962	17709	22010	24889	20311	0	69309	23574	12891	8610	22050	8101	15094	32642	53971	37393	11431	19717	18538	6547	46126	45277	54925	15989	12056	12556	12426	9072	371	16026	14427	42695	12607	53434	11226	18198	26005	17080	7916	6354	11999	15327	20541	29976	18008	36699	47891	0	22318	27406	27893	13666	17998	18888	14886	21843	46526	19785	20910	0	14777	46801	Phytochemical	0.30769232	0.88461536	0.038461536
12	C19 H27 O13 N1	478.15552	478.15622	-0.07515054	478.1555	54242	40914	55418	50238	73930	58192	35878	82642	119472	47040	42478	42504	180050	29254	75654	36386	62104	144362	142328	87714	128854	85898	102338	59230	25372	26273	15736	22460	55154	40346	49487	30576	58854	32934	88248	47726	44648	58226	38243	44798	59884	64494	1432	0	0	90286	145842	0	34358	64092	59812	38272	65000	0	224678	109452	53956	35756	63340	35372	31976	49444	158786	136672	43908	97950	60130	36478	0	42384	49404	44478	39836	45970	37550	37626	0	56960	51038	56256	50520	79194	38856	45298	105116	65628	42532	37040	59500	47962	28870	39623	74396	83976	52501	0	51416	81250	85524	77373	88496	64918	47440	35486	81796	41118	93494	0	20714	178304	Unclassified	0.68421054	1.4210526	0.05263158
16	C19 H27 O13 N1	478.15552	478.15616	-0.08999078	478.1555	34448	30703	35379	44955	38759	39256	15359	31537	74947	87105	26813	18175	133196	16858	43451	23793	14704	82589	84498	76838	90470	56309	55102	34226	14752	17425	12870	22986	24140	27679	25906	23398	29940	14317	97831	27059	39320	29791	13651	28402	56547	35963	1560	0	0	68132	99119	0	21118	34778	39768	37216	39839	0	141363	52192	25738	19424	36110	14280	32760	60739	92310	79962	22597	50289	35942	19503	27506	51611	47623	26709	24761	30794	18829	21158	0	27033	22118	45570	20779	64514	14159	12501	49852	32121	18445	23186	28695	0	27718	64141	0	44846	70287	0	33407	39997	42263	29710	32905	28815	26799	22994	81676	20585	44918	0	10128	88646	Unclassified	0.68421054	1.4210526	0.05263158
20	C23 H27 O10 N1	478.17078	478.17136	-0.013308106	478.17078	108041	118474	101045	96718	106905	88982	44078	81453	119935	328120	130119	44390	180759	66056	68825	76027	37602	141285	151143	255356	267139	152006	72939	82393	65388	207582	38189	108912	73603	61974	56998	48246	90987	63178	338258	64864	97801	48475	38896	195482	114570	62745	3111	610	0	213119	185502	0	69368	67584	116287	103801	76572	457	125075	97747	49793	75827	61529	38013	71212	133636	146244	96376	46806	110394	67965	43025	172036	250755	176953	73366	58580	63917	50047	60858	375	54947	73005	88170	60547	119377	58093	127580	114772	73803	68371	56021	62128	47728	83723	99918	112340	103962	157159	500	121319	112351	83272	72133	88814	74413	45853	85332	144861	76976	83644	609	49870	157335	Phytochemical	0.4347826	1.173913	0.04347826
22	C23 H27 O10 N1	478.17078	478.17136	-0.03532653	478.17075	55959	42495	45995	44690	58944	37105	14338	30042	54145	135108	51244	19269	77209	30168	27227	33260	15501	73137	64165	107105	122507	70196	35844	37304	27449	91296	14298	46755	24819	24716	23167	23687	31816	22059	153082	29861	40769	20197	12801	78132	48341	26919	0	0	0	100648	92395	0	29000	27210	48672	39538	38770	484	65939	42484	22953	22104	27836	14966	27891	64933	83962	51521	21082	61644	33006	15512	81466	131990	104827	32538	26076	22745	18525	21249	0	22001	34334	39255	28905	63952	22259	54657	55131	33952	30216	25284	28491	22941	30801	37427	42063	52516	89708	0	50780	44224	42349	48294	45118	28558	15170	34336	77543	32719	42584	0	26511	91403	Phytochemical	0.4347826	1.173913	0.04347826
28	C23 H27 O10 N1	478.17078	478.17133	-0.031364888	478.17075	6759	3589	4679	6097	5119	3466	1819	0	4431	20734	5966	1588	10531	2141	0	2584	0	9585	8135	12511	18438	7255	4930	4832	3035	12260	0	5026	1991	0	3136	1441	3285	2884	21055	2781	1953	1667	1422	9999	5975	0	0	0	0	10152	10308	0	2437	0	6863	4595	3174	0	7995	2207	2125	2747	1759	1323	3507	7043	6698	5314	0	3682	2487	1871	11878	23154	21630	3103	1690	0	0	1856	0	1599	2742	3811	2606	5408	2380	4545	5140	2166	2774	1462	1229	2164	2622	6325	3799	4817	10498	0	4167	4446	3637	2656	5500	2707	1470	2893	5875	2716	3388	0	0	7671	Phytochemical	0.4347826	1.173913	0.04347826
8	C23 H27 O10 N1	478.17078	478.1716	-0.009181497	478.17078	32574	34358	27480	64136	16473	12380	14369	23735	23958	179328	38290	15527	34611	8902	28708	23697	15845	23494	29597	120004	75465	61841	18610	30334	9491	19327	12119	21532	19405	37102	17171	39282	45862	17317	214598	17461	45082	16425	17893	101750	51116	12950	0	0	0	46375	44652	0	22870	45064	62254	26738	15510	0	28973	19197	10887	25632	19411	20420	19322	33679	31847	26070	6778	25892	13506	48234	30030	34771	41722	40468	18509	15289	12651	36706	0	12971	19456	20860	31528	24042	31524	25793	20319	12672	44018	11100	15118	61380	0	31792	69254	36297	56431	0	64802	33877	16544	22754	20749	24594	11252	37944	17983	40640	15755	0	27818	35550	Phytochemical	0.4347826	1.173913	0.04347826
26	C23 H27 O10 N1	478.17078	478.17136	-0.07446413	478.17075	7241	6453	9850	7421	11591	6569	0	0	11817	37398	7509	0	25125	5906	0	0	0	19624	9206	24842	22365	13309	6660	7256	0	18033	0	4100	0	0	3959	0	3702	4234	27601	0	8006	0	0	16452	13459	0	0	0	0	16284	17459	0	4276	0	8594	6503	7427	0	9643	7232	3377	3840	3681	0	4880	9846	17590	11981	0	9622	2843	2247	22153	36040	32509	2974	4202	0	0	0	0	0	3749	6053	6054	6635	2366	8260	11430	0	3961	5230	3883	3147	3358	4503	10817	8287	13998	0	4889	8994	7473	5514	6329	0	0	8325	9180	5128	7111	0	3423	23303	Phytochemical	0.4347826	1.173913	0.04347826
6	C23 H27 O10 N1	478.17078	478.1716	0.008046103	478.17078	12739	13812	12232	12782	7465	5940	4724	8689	11795	38485	17130	6700	14597	3940	7133	10479	8267	11252	14659	25285	62788	52574	8202	11748	5188	6561	4184	11669	9491	6882	8175	10511	11291	8342	38091	4550	9346	6501	9590	15628	24546	6726	0	0	0	17495	24711	0	13675	7194	13259	14610	5796	0	16389	8234	4230	10361	5546	9276	11250	12681	17592	12234	3368	11137	7593	10848	10727	16695	17647	7815	7607	4986	4645	7564	0	5903	7001	12482	6005	9264	5116	8448	9538	4503	9352	5282	5945	13980	4140	13035	14289	21401	21703	0	11847	12065	7582	8490	11766	7880	5648	10782	17332	7819	6660	0	5167	16375	Phytochemical	0.4347826	1.173913	0.04347826
14	C23 H27 O10 N1	478.17078	478.17148	0.01150705	478.17078	152002	141751	134865	140611	78702	74698	86347	140075	97269	369118	196398	75862	124029	56054	96043	128245	90312	129618	126606	316346	326652	263345	101512	139596	94939	185631	70306	159969	119560	118454	97032	123076	137226	95905	449331	121348	128785	83525	89940	254604	209754	72976	0	0	0	224693	205814	0	110676	113683	143339	141086	74688	302	136127	74695	51628	133084	162788	94130	153047	181270	135979	111749	49835	106528	75690	85087	194795	261643	206883	113067	97322	118774	86833	103949	0	84217	103557	151259	79750	138167	89436	155507	90430	61194	95824	70070	77057	124839	146829	146048	181336	143812	217605	658	151563	154734	72555	72129	76377	129082	71821	173391	196483	110198	71295	0	82582	129043	Phytochemical	0.4347826	1.173913	0.04347826
24	C23 H27 O10 N1	478.17078	478.17133	-0.022393156	478.17078	19093	17280	19548	20957	26873	16644	2674	8532	24793	63510	14898	6629	39949	10189	9432	11453	7120	30689	26849	41972	54163	24327	16559	13334	6877	42467	2121	17736	5071	5551	9169	4316	9069	8659	57279	7375	13402	7077	5455	35664	24567	5335	0	0	0	38398	41787	0	9095	9086	19352	13895	18512	0	29120	17448	10010	8669	7944	4945	10969	27337	34402	18566	7892	24323	11693	4040	43073	55045	50855	22570	5960	5087	6066	3579	0	9139	14588	12343	10775	27173	4872	19111	32384	12376	14671	9124	8708	8094	9837	11442	19518	20103	33474	0	21020	21078	17370	14850	20150	9388	6634	7363	22372	12016	14204	0	6859	39214	Phytochemical	0.4347826	1.173913	0.04347826
10	C22 H27 O9 N3	478.182	478.1827	-0.034881394	478.18198	67881	63932	0	57376	27097	24801	49554	0	0	56771	29083	47832	33574	15668	55674	72510	56064	0	0	67641	0	108446	62683	0	60252	11600	50352	25712	64932	63585	67056	73138	95657	65161	71760	69126	0	50382	75877	84654	62646	0	0	0	0	81189	0	0	88590	69291	0	71631	31827	0	43926	23715	26773	85872	79616	52354	91906	50635	33717	33088	25734	39635	31278	69026	22953	32884	20703	72947	64989	69000	41797	56650	0	53124	64323	32841	54098	44632	56821	38714	20791	23525	0	34044	39562	100807	86997	90652	133022	50380	62202	0	65748	71245	19049	18420	21001	74841	47243	93863	37853	82999	22889	0	62262	36409	Peptide	0.4090909	1.2272727	0.13636364
6	C22 H27 O9 N3	478.182	478.18283	-0.058653254	478.18198	29003	32189	29325	27577	12542	12287	14916	34592	14294	32197	15052	19277	20578	5163	22104	36691	29839	17757	26321	26738	33059	48752	25016	44729	19168	4608	16206	7670	30504	28750	28423	32683	34720	29890	36496	27411	35281	21308	38504	27076	36967	16131	0	0	0	32769	38257	0	37005	25711	29772	32878	14539	0	22386	12297	10158	39917	24985	27883	37132	20517	20824	17537	12852	19808	17282	42184	5828	13951	13741	27595	27432	23798	15545	24716	0	17583	25016	19418	18148	15843	17911	16407	14118	13408	24388	17119	19845	50558	33182	35857	54515	19378	25180	0	25292	23822	9519	13354	16618	31828	20878	42997	22486	33415	11742	0	18156	20642	Peptide	0.4090909	1.2272727	0.13636364
14	C22 H27 O9 N3	478.182	478.18256	-0.066456184	478.18198	44107	49220	49028	47285	18480	27700	44434	68641	20676	33925	20188	27547	23904	13279	53461	61491	47697	35259	41899	41687	32853	0	47028	66276	55146	5074	44925	19837	52953	46834	48097	71895	65046	50701	51072	49985	59801	45241	47834	39699	43796	30698	0	0	0	43622	34481	0	55081	45717	47137	49193	22876	0	37463	13966	21435	66619	72577	32307	61142	41574	24161	22113	17305	38364	35917	34799	0	17682	10976	43416	39003	54289	39216	41189	0	39106	49564	27176	40240	24850	52484	27420	16125	25317	57107	34678	31883	77104	62130	79412	0	0	31437	0	46363	52874	19086	16249	13415	71186	38819	69194	25565	56565	17447	0	56864	27389	Peptide	0.4090909	1.2272727	0.13636364
8	C22 H27 O9 N3	478.182	478.1828	-0.023493495	478.182	54779	62994	43013	53379	20584	20533	35215	65269	26088	49835	28933	34755	32131	10457	42821	60551	43469	24683	41600	51416	58288	80485	46827	68561	35268	8609	33888	20462	51988	48893	49924	60139	58561	44012	66956	48745	61016	40529	55954	59028	58000	24209	0	0	0	63999	60964	0	60776	52866	51495	53829	21327	0	33997	19209	19938	58630	51410	48113	61240	41166	31631	32246	22337	33701	27150	53549	12378	23665	23139	53983	42408	40823	34480	46418	0	34744	46261	27677	38328	33428	36905	32689	15775	19902	45600	24750	31494	86305	65713	80711	105093	39001	50114	0	55996	50750	18660	20914	20908	49216	32738	73735	29986	57093	18221	0	38078	35303	Peptide	0.4090909	1.2272727	0.13636364
16	C22 H27 O9 N3	478.182	478.18274	0.023190672	478.182	27044	21470	25075	23305	11292	14687	29701	28565	13677	13674	10938	18650	16228	5915	28582	26365	17861	22031	45866	21429	11862	35376	22414	37931	38048	0	20891	10014	35334	21394	23736	34653	41126	22417	16117	31640	40757	25519	28454	20149	13514	15397	0	0	0	22673	13182	0	39641	26509	27427	22275	15594	0	18909	7907	11655	38493	38474	17779	39269	14075	11685	13272	6734	19507	17035	25753	0	8458	0	27566	23906	22676	19246	17104	0	16701	27304	12132	19413	16022	24454	15036	6732	10494	29663	17338	17300	54107	38588	44827	77718	11397	22082	0	24257	21590	7269	9069	8727	35942	15435	28587	13558	28304	11007	0	35117	18857	Peptide	0.4090909	1.2272727	0.13636364
24	C27 H27 O7 N1	478.18604	478.1865	-0.17706455	478.18594	2048	1585	1769	3306	880	1658	0	0	1825	6926	9788	0	0	886	1430	0	0	1213	1762	3691	6363	1678	0	0	0	27286	0	10390	0	0	0	1282	1157	1525	4207	0	1217	0	0	6235	12486	0	0	0	0	4592	7479	0	0	0	1519	3207	0	0	0	0	1018	0	0	0	0	4935	0	914	0	1551	1269	0	18647	14894	23584	1201	1919	0	0	1609	0	0	1133	4343	0	3479	1900	5320	2413	0	1760	0	1640	0	0	0	2165	4824	3976	0	3220	1148	1444	1879	0	0	0	1956	4577	1594	2099	0	1395	0	Phytochemical	0.25925925	1.0	0.037037037
22	C27 H27 O7 N1	478.18604	478.1866	-0.044517748	478.186	6627	3273	5411	1955	3477	0	1052	1695	1431	13407	17019	1761	0	0	1268	3270	1697	0	1638	7944	10044	0	2468	4695	3268	29603	1022	19504	2992	1140	2652	0	6037	3681	7221	2634	5778	1668	1381	13037	11846	2609	0	0	0	9507	8061	0	1393	3634	5216	4005	3391	0	4312	0	1986	3002	0	2716	5344	4089	0	3538	0	2017	3529	4418	33493	26126	41394	2478	1211	1519	3455	1575	0	1158	2566	8927	1481	6082	1743	8638	0	1240	7084	2571	0	4555	0	0	3114	7707	6508	0	4129	4243	1619	0	1757	4621	3560	2100	5237	5870	2155	0	2606	2079	Phytochemical	0.25925925	1.0	0.037037037
12	C20 H31 O12 N1	478.1919	478.1925	-0.23326544	478.1918	16843	14970	17403	23949	15379	12912	13507	36800	32173	18181	9520	18452	31228	7309	33252	17119	18140	31170	36030	33026	35091	39817	33784	30817	21797	6416	9485	0	29462	23767	27979	15550	28486	19446	55588	22529	20863	27387	13834	40639	16742	18686	452	0	0	31710	14318	0	16319	32927	14602	17071	16394	0	53298	23940	12159	17629	34322	9580	18257	16817	32483	28230	12283	21118	18013	18396	0	13922	9818	15269	20682	25302	14143	15909	0	22350	24279	0	23967	19920	25858	13792	24945	18767	20968	8883	15794	15709	0	19295	31090	12132	13457	0	14226	24760	16633	17374	22437	25628	19289	15838	0	26206	22169	0	18626	26602	Lipid	0.6	1.55	0.05
6	C24 H31 O9 N1	478.20715	478.20795	-0.0704878	478.20712	11879	12634	11720	11958	5763	4109	6610	13978	6039	25335	10996	6067	7253	3171	8072	12239	6573	9182	9529	21683	31632	19850	10093	14555	7588	9251	6310	7896	11134	12418	13876	13073	14813	9485	27684	10680	16190	8896	9833	13961	14300	4828	0	0	0	14184	11732	0	17309	12845	12164	12553	5919	0	11036	4211	3676	12824	3780	5952	10518	10918	7822	5778	1692	7891	5135	12206	9612	15285	14670	11869	10335	11962	7616	9129	0	6722	7502	5961	5501	6019	6594	9631	5780	3541	9065	5284	5722	10949	12639	13762	18019	10146	17349	0	11635	12740	3193	11358	14616	14483	6011	16799	0	11953	4991	0	6055	9907	Phytochemical	0.375	1.2916666	0.041666668
28	C24 H31 O9 N1	478.20715	478.20773	-0.036664993	478.20715	7391	8007	5559	5872	7686	5311	2222	3909	7062	15131	5307	1769	12099	2754	3377	5240	5228	11154	6562	15808	19184	7765	4734	5247	2636	22675	2096	9359	2731	2848	2506	3343	5307	5684	17586	5381	7083	2737	5322	8804	7607	3520	0	0	0	7184	5280	0	3906	3951	7568	7487	6626	0	6492	5861	2680	6843	1988	1540	6282	3981	9588	4425	2047	8988	4148	4482	18056	33825	33019	5024	3710	3600	2808	2919	0	2447	5876	3228	4083	3242	3838	5756	7885	2954	5547	4801	3100	6656	5663	5502	5670	2429	6156	0	5587	5770	4281	4801	5514	5076	2758	3215	4674	5109	3531	0	2774	8344	Phytochemical	0.375	1.2916666	0.041666668
22	C24 H31 O9 N1	478.20715	478.20773	-0.049640477	478.20712	112176	107127	112205	123329	117367	102282	41170	105769	111761	273462	136757	52899	136745	79009	81123	92155	55604	171889	138491	272821	267731	130199	92761	119608	90623	253813	39886	119732	94513	83504	78937	92357	94122	85678	305305	88015	108486	64883	58634	176883	114087	66501	3353	0	347	171072	132225	0	90595	0	106863	116847	88361	317	135554	98460	55003	87452	82788	46532	117622	127075	145026	100177	43554	124082	77769	52438	219195	365400	271386	103354	79934	71344	0	68572	474	62769	96574	65478	84363	90709	61563	116867	117829	66241	86126	68246	67101	69957	109180	123578	142877	76818	144383	0	109697	130408	88588	90794	88786	97686	55928	98697	103955	0	83197	0	68483	160114	Phytochemical	0.375	1.2916666	0.041666668
26	C24 H31 O9 N1	478.20715	478.20773	-0.060125776	478.20712	15581	15392	12734	15432	21865	10657	2681	10715	17133	33102	14549	7449	40007	8141	6475	7846	5758	17202	22039	34282	38046	13763	11618	14687	6398	31185	3552	11173	8993	6424	8002	8133	10007	13918	38734	13518	17471	4597	7612	24717	20549	8058	0	0	0	16954	19740	0	11498	8326	16734	13659	10634	0	16196	13269	7234	11675	4893	4078	10947	14288	20121	16545	4686	20774	9935	6143	39664	58632	61446	13683	11116	9635	8136	7765	0	5879	15599	0	10284	7935	6626	13492	20204	8377	10737	8753	6464	9351	11546	11877	19506	6747	18280	0	15927	21050	8589	14377	14486	14364	6307	8530	10191	9789	8171	0	5220	24873	Phytochemical	0.375	1.2916666	0.041666668
24	C24 H31 O9 N1	478.20715	478.20776	-0.072555885	478.20712	41916	40568	33671	41809	52174	0	9881	32109	45092	105847	45607	20520	75824	22925	29591	36872	15407	59231	57317	99402	108126	48560	35186	0	22635	97050	9057	39971	26054	24988	21615	26674	27117	37120	122368	25149	0	16450	17969	62417	46335	19685	0	0	0	59445	47300	0	33789	26558	42763	43607	29199	0	49475	36028	19702	0	21734	17491	37760	49763	60203	41657	16287	53187	25418	18363	82254	136378	106478	30880	27535	23835	22031	19988	0	21084	34442	18037	30735	30980	17906	41485	50532	22464	27322	22435	24078	21117	29085	37406	48346	25533	52312	0	37266	45423	32917	35023	34640	35591	15730	33853	32665	33136	34790	0	19486	69502	Phytochemical	0.375	1.2916666	0.041666668
10	C24 H31 O9 N1	478.20715	478.20786	-0.06357523	478.20712	43734	37455	37005	30591	15712	14535	17756	40357	21835	85301	33655	20321	29822	12119	26226	37334	23612	22934	29523	81651	73022	101794	26132	42373	25208	36720	19619	30781	34764	30326	28445	36808	42441	27288	99641	32816	39814	22580	30215	58866	47192	18440	0	0	0	40448	33276	0	41788	30986	38298	30823	16753	0	28451	16426	13362	38578	16327	22870	41560	34355	22467	18720	7211	23495	18686	30203	30951	60183	44801	29133	30764	28426	26301	24883	0	22032	26948	17932	22765	20530	17928	37633	17062	12512	25739	13316	19896	35471	47863	41416	89580	32214	46803	0	36426	38352	12641	15472	15493	33575	18281	43900	15481	28811	14652	0	44950	30024	Phytochemical	0.375	1.2916666	0.041666668
12	C23 H31 O8 N3	478.21838	478.21906	0.05504768	478.2184	12747	20889	17611	18414	7620	10663	18059	0	10019	15781	7784	11234	6749	5242	27510	17706	16471	9449	16889	24365	14091	36910	22359	28728	28008	3121	12639	0	31849	0	25160	23138	29284	26704	20580	21439	23245	22364	17647	25678	12605	12413	0	0	0	22989	11142	0	22051	20341	20346	22064	9861	0	13334	5412	10146	32009	23562	8809	20268	14315	8378	6590	7770	12779	12607	22488	0	9723	5222	24517	22178	17671	13764	17335	0	18977	15137	0	18683	14697	18798	14185	4180	6615	19970	11213	13176	40169	40739	38675	56353	14936	22992	0	23617	20480	7090	8197	6053	24750	16474	33931	0	26115	5058	0	20385	11624	Peptide	0.3478261	1.3478261	0.13043478
10	C23 H31 O8 N3	478.21838	478.21912	-0.03741322	478.21838	22049	19677	23430	21499	8445	10941	16598	25655	10416	21310	7830	15111	9313	6250	21908	30143	14413	15480	20395	26102	20292	39009	23526	38260	22340	3061	15082	11946	26249	23428	23736	25820	33577	19646	26604	26654	32822	15558	22674	23379	14787	11714	0	0	0	24769	16806	0	28560	19662	24786	22671	9670	0	11656	12232	7783	32571	18091	12715	36420	17419	8509	9002	6698	11942	11736	22212	0	10527	6094	21264	17278	18328	15497	20218	0	18795	19566	16229	15558	10279	17801	14139	8109	8213	21903	12907	12599	32940	38411	35862	61617	16578	21074	0	21249	23119	6810	10771	9453	26198	15183	31830	0	27284	6803	0	25469	11187	Peptide	0.3478261	1.3478261	0.13043478
6	C23 H31 O8 N3	478.21838	478.2192	-0.006820549	478.21838	16941	18908	14218	13204	5124	6516	10823	20189	7485	16847	6890	8943	9448	3251	17833	19703	12136	8264	12886	17527	16071	24075	15468	21497	17442	1344	10050	6416	18071	13321	15958	18980	22032	12922	18985	19382	21247	12716	11974	13322	13011	7126	0	0	0	16606	13650	0	21753	13754	15055	13010	7378	0	9958	12644	6409	17884	11861	6126	19709	10662	6275	8371	3634	10263	7967	14819	2395	4718	3985	17915	13567	13860	7568	13741	0	10741	11822	7722	8640	7447	11009	11648	4052	5245	14993	6422	10380	25664	18964	30561	38092	13156	16102	0	15097	16159	4045	11455	12214	19675	9545	24096	7294	15862	4670	0	16593	6537	Peptide	0.3478261	1.3478261	0.13043478
24	C28 H31 O6 N1	478.2224	478.22296	-0.0824202	478.22238	2174	4122	0	1332	1699	0	1682	2310	1128	3079	9042	1599	1554	2250	0	2856	2081	1740	2768	4669	2848	0	0	3865	0	25358	0	11297	0	2138	1348	2034	3003	2642	1693	2261	1642	0	2324	3957	12930	2119	0	0	0	1888	6413	0	1149	2295	1508	3396	1980	0	0	2072	958	2500	2226	2836	1530	3095	0	0	0	1326	4437	1554	16379	13035	19996	0	2293	2656	0	3858	0	0	3014	7878	0	0	2017	8014	1686	0	4179	2080	2588	6113	3482	0	4114	2461	4045	0	2703	2902	912	2662	0	2811	2007	2492	1595	3592	3561	0	2721	0	Phytochemical	0.21428572	1.1071428	0.035714287
8	C22 H31 O7 N5	478.2296	478.2304	0.01443022	478.22964	6320	4587	4828	8996	0	4896	6758	4448	3364	4042	0	3838	2316	0	4578	6220	4098	3156	7290	4780	4762	0	5738	6946	9434	1620	3030	2712	5716	6624	5702	7356	12152	7406	6378	9358	11974	4238	6090	4300	3706	4932	0	0	0	0	0	0	6032	7414	3824	12800	2428	0	3200	1768	2504	7894	3882	2008	7884	0	3942	4386	0	4002	3484	2082	0	0	0	8572	4754	8956	4120	3616	0	4608	7340	25108	1782	1696	3202	1782	3758	0	4464	5618	0	14002	13292	0	8584	8404	6901	0	4018	8868	0	1998	0	6174	4226	6776	0	9202	0	0	4866	0	Peptide	0.3181818	1.4090909	0.22727273
14	C25 H35 O8 N1	478.24353	478.2442	-0.08117489	478.2435	27766	25396	21377	29335	16433	13957	18659	34833	11148	29995	22033	24804	10441	11654	23729	50174	34163	15284	21355	42184	49171	30407	22404	43811	27184	37631	23229	26434	28864	33314	29257	35275	40680	24171	42793	38661	29795	22015	39525	32340	20572	13764	0	0	0	23467	15818	0	30010	37164	28913	28625	15316	0	12325	10995	9885	36719	20695	16321	34018	19589	10953	14746	9356	12834	14925	41049	29572	42798	38293	24823	29553	37237	34017	28157	0	23986	25699	20707	23552	16242	23468	21091	13956	10907	25359	16009	18942	56285	40568	22600	48061	16634	30294	0	30620	25064	9807	9284	13741	40533	19910	40321	0	32317	11863	0	25667	11997	Lipid	0.32	1.4	0.04
8	C25 H35 O8 N1	478.24353	478.24426	-0.056009524	478.24353	10464	13005	11311	13286	4289	4448	7609	22149	3905	15936	7185	9111	4130	3523	10677	15520	12126	4455	8187	25264	20247	16218	10117	16534	9363	9707	7077	10262	14290	14108	13980	18396	18113	14075	21882	17641	20060	11339	17469	16679	7599	5292	0	0	0	9366	9132	0	15528	12539	11785	12683	5541	0	3915	2211	3544	15129	0	2765	17137	7154	3540	3465	2487	5117	6327	15856	6050	16053	12805	11880	14074	15144	10646	15724	0	9088	11929	7817	6032	2099	3917	10169	3543	0	7106	4151	6638	19677	13841	11104	24535	7894	12721	0	12854	12641	1761	2132	3334	18775	9407	20732	0	14033	2700	0	9139	2920	Lipid	0.32	1.4	0.04
28	C25 H35 O8 N1	478.24353	478.2441	-0.065359	478.2435	6044	6145	6731	6432	8338	4896	1782	4979	9102	11963	8615	3035	11960	4338	3036	7362	3929	6299	12393	12873	14022	5572	4389	5393	3928	24724	2593	8426	5078	3615	3874	4668	4585	6156	13301	4204	6149	3329	5008	9230	9693	3535	0	0	0	7266	3804	0	6338	2730	7379	6367	5548	0	7675	7208	2230	6046	2430	2997	6678	3238	9740	5606	2230	13799	4971	3810	18686	35362	41494	5704	4481	0	4648	5023	0	2290	7808	2569	4134	2883	3413	6130	7108	4677	8595	4407	3594	6651	5261	5944	9568	2691	4086	0	5781	6807	4306	9777	9080	4869	2562	4986	0	5559	5023	0	3226	9320	Lipid	0.32	1.4	0.04
10	C25 H35 O8 N1	478.24353	478.24426	-0.042161822	478.24353	22073	15992	13354	17457	4738	7295	9335	27506	4625	26135	10576	11874	5371	3154	13564	18131	14360	7300	13403	36574	29847	19724	10462	22894	12299	16000	10749	10918	23580	19194	19278	23758	31229	19599	33828	21992	24522	11126	14104	25305	14028	6739	0	0	0	15210	9987	0	26091	21432	14551	21125	6863	0	9120	4895	3242	19197	2206	4910	17543	8763	4027	6533	4149	7413	9668	16250	13403	27803	12764	19948	19312	20397	13198	18408	0	13393	9738	7765	10389	2569	5231	9939	3102	3287	12304	6106	8339	26127	25339	19937	29890	9858	25906	0	20319	15502	2522	5176	3017	22357	9329	31610	0	19996	3057	0	10423	8419	Lipid	0.32	1.4	0.04
26	C25 H35 O8 N1	478.24353	478.2441	-0.085963905	478.2435	30949	21967	30058	27830	42470	15576	6655	23645	32843	48209	31695	10712	46558	20002	18914	26375	12574	40526	43724	62573	69961	24077	17427	30837	21498	77219	7224	34264	19276	17651	21000	20163	25433	26012	60589	23296	29058	14362	14339	44589	37191	15573	0	0	0	31880	25820	0	22327	22974	34847	25946	27747	0	43453	38723	12069	26436	16707	12835	28020	24265	34742	27261	9090	36366	20724	17395	82634	100684	111975	28208	25707	19206	13233	18583	0	13182	29208	11151	21886	15912	16093	30077	40535	18820	21314	21652	13711	21960	25094	28993	38449	17937	25745	0	29329	27239	22449	28538	40748	29188	9184	27024	13982	23229	27076	0	11599	36902	Lipid	0.32	1.4	0.04
10	C23 H35 O6 N5	478.26602	478.26636	-0.14993007	478.26593	0	0	1156	0	0	1859	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	944	38251	0	0	0	0	1211	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1211	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	954	0	42414	0	0	0	0	0	0	0	0	0	0	73380	19850	0	1613	2040	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.5217391	0.2173913
18	C26 H39 O7 N1	478.27994	478.28052	-0.0978619	478.27988	16096	13707	16193	13247	13428	5408	14393	22011	8138	12673	8340	17146	4956	5150	12536	29115	25090	4848	13191	16990	17865	8426	15091	13919	12919	24746	18185	12578	20008	20790	18488	19714	18835	22020	4947	25518	17065	9029	27227	9838	14287	11370	341	0	0	6668	10601	0	22658	17267	18269	16060	8576	0	9368	6005	7952	24603	5756	14441	28797	6466	6794	7186	4684	8279	8418	28889	18728	14826	18729	12043	19150	21385	22210	21549	0	17886	17078	7749	13983	3040	10417	4456	13680	9735	15859	10100	10914	55297	24197	13454	33733	5691	11658	0	19558	17744	7422	10037	10640	26106	12444	21564	6229	16369	9498	0	14765	6033	Lipid	0.26923078	1.5	0.038461536
16	C26 H39 O7 N1	478.27994	478.28052	0.043626077	478.27994	6166	5332	8896	8914	2594	1562	7045	4367	1438	4625	3099	6557	0	1187	2546	7464	12194	0	4709	5223	3819	2139	2383	7919	7823	5109	6158	5272	8773	8278	11053	12178	11947	6859	3134	12556	8378	6013	12473	3615	0	3193	0	0	0	2996	4142	0	11219	9358	5967	6867	4910	0	0	1350	1782	8395	1285	1746	7874	1251	0	2352	2369	0	2871	8701	4497	3736	4358	4648	6124	11813	11551	7784	0	2907	3454	3782	4801	1587	2446	3015	1542	1734	3911	2462	1816	25203	14406	1984	0	2791	6792	0	4758	4363	1409	1606	4340	11507	7005	6393	0	0	2218	0	4437	0	Lipid	0.26923078	1.5	0.038461536
10	C26 H39 O7 N1	478.27994	478.28067	0.062103342	478.27997	2546	4831	2124	7354	0	1299	3655	9405	0	4905	1400	4129	0	0	4465	6844	8660	0	1151	6603	5918	1703	3664	7996	6341	1815	4238	0	10812	9735	9626	7949	13567	5928	2955	9192	8000	6208	7288	3998	0	1555	0	0	0	0	0	0	8703	5513	5709	3276	0	0	0	0	997	8485	0	0	0	1216	0	1069	1117	0	1057	10325	0	3139	3006	7442	6904	8877	4709	7882	0	4281	2990	0	2972	0	0	0	831	730	1483	917	0	22169	9562	2750	15011	1113	3734	0	5552	5544	0	0	0	12237	3868	6318	0	11495	0	0	2398	0	Lipid	0.26923078	1.5	0.038461536
12	C26 H39 O7 N1	478.27994	478.2806	-0.008444514	478.27994	3787	3919	5544	2888	0	0	3664	10357	1061	2366	3208	3617	0	0	7121	8607	7802	0	0	7211	5925	0	4409	5040	7137	1937	3364	0	15561	7570	11464	11284	14060	8617	1349	10563	14564	4439	10605	3356	0	2234	0	0	0	1503	0	0	12341	6959	4130	3759	0	0	0	0	0	9129	0	0	0	0	0	0	0	0	3259	14428	0	3264	2841	8257	8311	9852	6849	8316	0	6804	2120	0	0	0	0	1986	0	975	1345	2288	3912	40939	9363	0	25468	0	3314	0	5661	4193	0	0	0	8992	4448	5173	0	9791	1474	0	1933	0	Lipid	0.26923078	1.5	0.038461536
28	C26 H39 O7 N1	478.27994	478.2805	-0.10519815	478.27988	5856	4051	5776	5526	11145	1902	5000	5392	5993	6846	7393	3064	6841	4257	5043	7217	5870	3730	7791	10332	9560	5062	4598	6151	5975	23075	3368	8267	6753	6937	4702	5815	8622	5632	11743	5832	5686	4986	4408	6263	7815	3973	0	0	0	4969	3857	0	7107	4874	4757	5573	5560	0	8862	6124	3036	7420	3630	3254	7196	3305	4995	4768	4224	8941	3872	6360	20069	19500	26648	3787	4966	6614	3804	4892	0	4107	13766	3780	4713	3596	3674	5596	10749	4479	9268	3108	3310	9000	7142	6467	8721	4010	0	0	7253	6333	4934	10521	15403	5702	2306	8574	3007	5381	9019	0	3923	5337	Lipid	0.26923078	1.5	0.038461536
26	C23 H43 O9 N1	478.30106	478.30106	-0.108943775	478.301	0	0	0	0	0	0	0	0	3611	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46425	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4177	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2989	0	5280	0	26095	2166	0	0	0	0	0	0	0	0	0	0	0	16071	0	28777	0	0	0	0	0	9100	0	0	0	Lipid	0.39130434	1.8695652	0.04347826
24	C23 H43 O9 N1	478.30106	478.30127	-0.16305599	478.301	3217	3095	1944	2445	0	0	2848	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	706851	0	0	0	0	0	0	0	0	0	811	0	0	0	0	0	0	0	0	0	0	0	0	2883	2943	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68322	0	0	1038	0	0	0	0	0	0	0	2799	0	0	1645	0	0	1485	3682	0	0	0	0	0	0	1388	0	0	0	0	0	Lipid	0.39130434	1.8695652	0.04347826
22	C27 H43 O6 N1	478.3163	478.3168	-0.13839473	478.31625	6034	4329	3907	7536	11025	4343	7701	6535	4307	2253	5924	7964	0	6416	5339	13216	21916	0	4291	3565	5130	3303	4775	3618	7480	12123	9378	6027	7035	10674	4263	10845	7760	6493	2681	13834	8528	4723	18980	2133	0	7072	0	0	0	2587	3793	0	6659	10741	7481	7524	8393	0	4010	4057	2836	5949	3829	5911	9817	0	3225	3678	2801	2318	4834	22904	7107	3987	7609	3602	6031	9854	14305	7189	0	4869	11025	5353	2746	1653	2477	2289	8432	7705	9326	5096	6236	17594	11771	5017	13285	3808	2651	0	2353	5663	4860	5727	5647	13599	7347	6478	1897	5465	9783	0	5438	3187	Lipid	0.22222222	1.5925926	0.037037037
28	C27 H47 O4 N3	478.36392	478.3644	-0.08493659	478.3639	0	0	0	0	0	0	0	0	0	0	0	1821	0	0	33878	0	0	0	0	0	0	0	51768	0	7538	0	0	0	0	0	0	5372	0	0	0	0	0	53371	0	0	0	0	0	0	0	2866	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1695	0	1179	1644	0	60414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2241	0	0	0	0	0	9367	0	Lipid	0.14814815	1.7407408	0.11111111
26	C20 H14 O14	479.04562	479.04642	0.20070644	479.04572	0	0	0	1888	8787	4261	0	0	6647	0	0	0	16938	2527	0	0	0	10736	6566	0	0	3188	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2836	0	11674	8669	0	0	0	0	0	0	17842	9637	2580	7632	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2786	0	0	0	12644	0	0	0	0	0	0	0	0	2827	0	0	2834	0	4359	7079	11617	0	0	0	0	0	5589	0	0	23379	Phytochemical	0.7	0.7	0.0
28	C20 H14 O14	479.04562	479.04626	0.25145543	479.04575	3735	2868	2079	3369	8376	4592	0	0	9857	0	0	0	19848	4533	0	0	0	8837	8899	0	0	2112	2174	0	0	0	0	0	0	0	0	0	0	0	2048	0	0	1067	0	0	1579	0	0	0	0	0	3101	0	0	0	3063	2759	4776	0	8414	9830	2389	0	0	0	0	0	20716	8704	2159	10646	1332	0	0	0	0	0	0	0	0	0	0	0	2339	0	3285	1459	0	0	15856	2821	2704	1119	1444	0	0	0	0	2519	0	0	2927	2721	4068	9960	12893	0	0	0	0	0	8498	0	0	20386	Phytochemical	0.7	0.7	0.0
18	C21 H18 O13	479.08203	479.0827	0.11951955	479.08206	38278	25981	27905	25172	62254	36717	5334	4608	70321	35735	17137	7303	127675	27263	13542	5565	1430	63691	65201	16067	26416	66890	17779	6421	4505	0	4931	4598	3855	1309	4814	2553	10601	0	41128	2427	10234	8947	2473	12749	20158	12332	1195	0	0	34626	66275	663	3770	2690	30984	29826	37276	0	79141	63505	26132	6433	8654	4843	7627	20039	126806	68507	21958	78307	20738	5426	8879	4603	0	4119	1826	0	6439	0	440	7930	26029	35059	24224	51212	3015	3417	69258	30402	18438	13459	19974	4262	5003	11985	10937	70344	51993	0	28686	21625	61234	70387	60174	7297	6452	7887	53554	5927	56616	0	7333	118408	Phytochemical	0.61904764	0.85714287	0.0
20	C21 H18 O13	479.08203	479.0827	0.12324917	479.08206	14409	13842	15709	16772	41687	22868	2230	1508	54092	14582	8724	5239	79255	17012	9474	0	1881	56102	36344	7906	17168	46779	12009	2901	0	2173	4417	4153	1407	1673	1393	0	4281	1881	17070	2519	5712	6865	0	10122	12584	8130	863	0	345	24074	41827	1414	2691	0	15929	14749	23488	314	52023	43138	14340	3010	7175	1388	0	9271	77383	46051	13149	42362	10953	1593	6995	5938	7219	2437	0	0	3433	0	548	3798	14986	24996	14803	21927	2709	0	46100	18696	14873	7413	9090	1545	3796	3504	3369	42621	27202	0	18496	17414	29963	43992	44189	4724	3568	2059	36344	2682	29443	0	1821	80635	Phytochemical	0.61904764	0.85714287	0.0
26	C21 H18 O13	479.08203	479.08273	0.106665425	479.08206	3974	0	3446	2746	10171	5944	0	0	14653	5739	0	0	28736	4601	0	0	0	17032	10736	0	0	6347	5377	0	0	0	0	0	0	0	0	0	0	0	7064	0	0	0	0	0	4655	0	0	0	0	0	9012	0	0	0	3197	5654	6828	0	18336	7865	3700	0	0	0	0	2902	22959	12096	0	8507	0	0	0	0	0	0	0	0	0	0	0	0	4360	0	4997	7323	0	0	11511	0	2910	0	0	0	0	1599	0	7239	8373	0	4789	0	4203	8100	8034	0	0	0	7753	0	6608	0	0	25479	Phytochemical	0.61904764	0.85714287	0.0
22	C21 H18 O13	479.08203	479.0828	0.27331364	479.08215	7040	10370	10709	7675	22358	12155	2214	0	21987	6222	4495	2602	46873	9730	4384	0	0	30891	17789	5003	9482	23845	4949	1700	1801	0	1576	0	0	0	0	0	2466	0	16250	0	1999	1907	0	5643	5549	2694	0	0	417	8052	29775	0	0	1143	10790	7707	13840	517	32577	23446	5713	0	3345	1298	0	4972	51652	25656	8618	22936	3804	1358	2685	2863	3218	0	0	0	0	0	467	2029	8344	12363	9165	23733	1698	2011	34376	13498	3497	2886	2840	0	4002	3630	3743	16805	24036	0	7363	8591	18999	29636	22629	1451	1602	0	16279	1521	21689	0	2574	47302	Phytochemical	0.61904764	0.85714287	0.0
16	C21 H18 O13	479.08203	479.08273	0.05794975	479.08203	75490	69154	76018	65970	139598	74524	15464	3642	186467	85910	58990	16904	287156	53502	29938	19104	11314	166986	158682	58858	89680	173412	49938	13906	6046	3222	8614	9072	9308	8550	9958	6242	29930	6522	123968	6862	19026	30872	12350	35872	45362	29600	1842	0	610	74764	188130	1444	7300	3630	75106	73044	91290	0	159314	153082	60340	11380	21378	16066	14704	44250	314952	146378	52286	179624	63468	11814	24796	12380	23384	5292	7060	0	8804	8270	984	16372	77174	92586	44982	112744	4508	7272	190598	63216	53136	31862	41476	0	10460	26616	0	172786	129568	0	70176	57360	138418	176790	164896	19452	23364	13388	126898	0	135408	0	6804	291790	Phytochemical	0.61904764	0.85714287	0.0
12	C21 H18 O13	479.08203	479.0828	0.07773238	479.08206	14481	19692	20449	19967	40452	14084	2453	4874	43618	28540	30029	8618	59424	10542	4746	4039	6416	32594	39393	15432	23695	61445	13861	2821	0	0	1442	0	2488	1001	2890	3007	4454	0	43303	1185	4855	10557	5624	5384	39415	12526	0	0	0	18532	82193	0	1978	1785	21247	20626	22640	0	41982	42595	19182	4968	0	0	0	14005	88118	39075	16738	49697	11955	4555	0	2727	8697	1183	1898	1939	4840	2699	0	4167	15100	18058	15084	26789	1558	0	59874	18077	17786	11437	13256	13241	0	3569	2913	53913	26942	0	19324	17596	56339	62196	52946	7884	8895	2896	38137	6082	32889	0	2567	81126	Phytochemical	0.61904764	0.85714287	0.0
8	C21 H18 O13	479.08203	479.0829	0.093063645	479.08206	2098	1537	1063	1459	6004	2398	0	0	11560	2674	2388	1710	11831	0	917	0	0	4786	6015	1550	3360	2008	1344	0	0	0	0	0	0	0	0	0	0	0	3931	0	0	740	797	0	2038	1706	0	0	0	0	4842	0	0	0	1561	2574	3966	0	5687	9070	2661	0	0	1074	0	1680	21430	5958	3004	8513	2292	0	0	0	0	0	0	0	0	0	0	0	2194	0	1018	2108	0	0	11759	0	1104	2518	2507	1357	0	0	0	5270	2225	0	1570	2023	7727	16114	12298	0	766	0	0	0	8924	0	0	12197	Phytochemical	0.61904764	0.85714287	0.0
10	C21 H18 O13	479.08203	479.08276	0.06831723	479.08206	16292	19294	9868	18108	42070	12456	2822	0	45870	23886	19332	7070	69322	9234	5324	3078	7948	27702	35242	9128	27136	36324	12590	3130	0	0	2252	0	0	0	0	0	6038	0	32622	0	3468	4518	4046	6628	17606	10630	0	0	0	14786	54566	0	4606	3528	13790	12444	19060	0	32420	45456	17098	3188	0	4302	0	9077	85558	39888	16750	38090	10266	5844	0	0	7876	0	2134	0	7327	2394	0	1528	20250	9408	13178	18918	0	2480	56090	15930	10500	14678	8498	6542	0	4144	5054	52630	22094	0	17264	11134	52250	84178	62298	5944	4000	7364	0	3302	46131	0	4154	66910	Phytochemical	0.61904764	0.85714287	0.0
14	C21 H18 O13	479.08203	479.0827	0.007090174	479.08203	34416	31587	36008	41392	58034	32026	5193	3778	89105	34716	39645	13779	123198	18681	12907	9597	6491	56894	61503	21473	41704	97000	21609	9801	2881	0	4851	0	3714	0	4731	0	7885	2775	55841	2563	8141	13813	6622	12944	33392	15807	0	0	0	40412	104372	0	9176	5172	23272	28563	42287	0	61222	60906	28678	7126	7172	8454	0	21177	126927	73745	23976	79414	23300	10506	0	2194	10793	4298	3195	1955	7280	4593	0	9800	27353	46510	27252	42763	3252	5816	90515	28794	25577	19979	27790	10846	3389	5847	14181	106817	60459	0	31156	26677	61510	89734	86608	9491	10335	6772	71274	6745	55711	0	5721	116523	Phytochemical	0.61904764	0.85714287	0.0
24	C21 H18 O13	479.08203	479.08267	0.18117256	479.0821	3606	4459	5930	5983	14714	9003	0	0	12815	3908	1659	1788	37965	6130	2581	0	0	23561	14738	2948	7449	13276	4975	0	0	0	1249	0	1184	0	0	0	1336	0	9146	0	1931	2307	0	0	4331	0	0	0	0	8794	14925	0	0	0	5958	7179	7485	0	24757	13791	4213	1441	1266	0	0	3923	37064	16997	1766	15152	2327	0	1564	2689	0	0	0	0	0	0	0	2072	4321	6618	5344	7458	0	1924	20995	4351	2866	1858	1983	0	1819	3624	1981	11774	6405	0	7250	4805	9949	13576	11099	0	1358	1467	8980	0	12008	0	0	29143	Phytochemical	0.61904764	0.85714287	0.0
14	C20 H18 O12 N2	479.09326	479.09406	0.14943998	479.09332	4758	4899	2958	5734	9792	3285	0	0	8793	2288	5853	1571	18202	1635	1229	0	0	9101	9820	3796	11116	21352	5553	0	0	0	948	0	0	0	0	0	2005	0	9939	0	0	2535	1668	2346	16011	3774	0	0	0	12611	42964	0	0	0	4761	2774	4327	0	14555	9482	3776	3095	0	0	0	7874	30942	13082	2889	10790	5167	2115	0	0	1729	0	0	0	1578	0	0	1377	1860	0	2361	17355	0	0	11329	0	4275	3240	3111	6551	0	0	2255	25227	12279	0	6679	4196	5059	12420	12237	3409	1179	0	35279	3882	7913	0	2332	18711	Phytochemical	0.6	0.9	0.1
16	C20 H18 O12 N2	479.09326	479.09406	0.1983582	479.09335	3714	4276	4532	5310	6042	2938	0	0	12337	6899	4909	0	17509	1976	1289	1604	0	8559	5013	2784	17363	18715	5487	0	0	0	0	0	0	0	0	0	1960	0	9733	0	1642	1140	0	4987	18003	2716	0	0	0	11624	34515	0	0	0	2454	6030	4608	0	13135	7092	5128	0	0	1391	0	7416	24936	14718	3113	11190	3897	2779	0	0	2483	0	0	0	0	0	0	1150	4519	12307	0	20391	0	1982	8435	2296	5462	3941	3467	0	0	0	0	23651	9955	0	3321	4562	3157	9435	9422	2284	1914	0	17159	0	4956	0	0	13888	Phytochemical	0.6	0.9	0.1
18	C20 H18 O12 N2	479.09326	479.09402	0.0684853	479.0933	4989	4126	2799	3975	5492	2097	0	0	6410	3680	2035	1001	16463	1662	0	0	0	2371	3992	4872	4006	14981	2400	0	0	0	0	0	0	0	0	0	0	0	3010	0	0	0	0	3013	7484	2038	0	0	0	6732	20736	0	0	0	1652	4041	4161	0	7636	6267	2321	0	0	1769	0	5087	11938	6297	0	4581	1352	0	1184	0	0	0	0	0	0	0	0	0	3017	6502	1703	11108	0	0	4139	1575	0	3542	3476	2088	0	1947	2754	13379	3257	0	2585	2492	4866	4642	3423	1432	0	0	13071	2306	3699	0	0	10630	Phytochemical	0.6	0.9	0.1
12	C20 H18 O12 N2	479.09326	479.09412	0.13751958	479.09332	4737	7273	2956	1990	6631	2048	0	0	10450	7304	6122	1719	18890	970	0	0	2325	10275	8807	4228	12019	15223	1952	0	0	0	0	0	0	0	1159	0	0	0	9124	0	0	1104	1448	4896	18660	1859	0	0	0	7116	35383	0	0	0	2489	4570	5361	0	10035	10560	3835	0	0	0	0	12240	22803	13840	4102	8374	1474	0	0	0	3183	1129	0	0	0	0	0	1249	2652	0	1354	12985	0	1086	10497	2834	2587	3749	3840	0	0	0	3158	25853	7616	0	4138	6250	7817	11337	11388	1833	2217	3170	0	0	6335	0	1381	21594	Phytochemical	0.6	0.9	0.1
20	C22 H22 O12	479.1184	479.11902	-0.007151929	479.1184	68239	70715	66421	56607	89565	60452	12132	23478	99166	114968	42919	22499	145148	42248	37655	19123	11362	127023	88800	97400	97904	110876	35900	24830	21185	31679	13505	22472	22301	19175	25779	18578	33621	21149	150894	22359	34887	29449	9838	84524	49848	21293	2175	0	0	139253	156084	0	23436	19538	56832	63168	51302	503	112652	75400	36593	25918	28542	12225	22840	58407	142654	88297	31904	95010	42888	10008	38171	60022	48021	28374	20348	15358	9848	18664	556	19623	47486	55976	40113	134674	16482	41836	82874	45355	38086	25822	30900	17703	29189	39656	31994	102102	104163	0	54781	51606	59615	62642	63865	25706	20409	28117	127415	24042	65376	0	23644	165010	Phytochemical	0.54545456	1.0	0.0
18	C22 H22 O12	479.1184	479.11908	0.032501362	479.1184	121903	110119	108897	106126	133529	102330	42100	53532	168265	226424	103215	36531	267127	69564	63931	31862	26740	186414	170632	189349	170167	221886	76019	49498	43632	55139	29569	65467	52663	32743	48560	43603	69049	36910	277946	37090	70742	55370	29395	136594	93627	41817	3133	0	375	249033	518262	741	55471	39507	120362	110323	101066	461	195006	122591	62867	58782	58056	30318	48402	112181	236189	143288	53115	166237	79339	28459	71537	84655	90758	48016	42681	31482	21278	41311	573	47858	87666	116196	70516	253111	33759	58284	136623	80690	72098	47374	69984	24615	61725	100984	78039	155013	184843	0	117348	99630	122314	120436	115098	46766	40020	62445	195698	46478	106698	0	39029	244645	Phytochemical	0.54545456	1.0	0.0
12	C22 H22 O12	479.1184	479.1191	0.00335333	479.1184	92605	102026	100617	94667	81874	57814	45653	54108	114076	201898	143722	44909	112195	30995	44006	55695	43104	110394	119589	142860	300934	209180	56988	67439	18547	37662	34812	57656	30311	37127	42760	41715	55863	36610	530056	40070	55637	51936	45951	105736	157856	42039	1773	0	0	303604	606714	0	49668	54137	109240	97979	66634	0	108644	76109	45288	48744	42500	45619	54151	103091	302568	93584	39382	95373	56010	44910	74784	73046	106002	43592	38347	32726	36252	39353	0	41083	80539	115848	65836	289250	31504	50509	95368	54449	70191	40548	48805	71278	31541	58156	58648	178748	154377	0	103346	91709	116965	87558	80094	61196	39787	54822	189412	47727	79179	0	31471	269314	Phytochemical	0.54545456	1.0	0.0
10	C22 H22 O12	479.1184	479.11914	0.023602733	479.1184	41493	39437	35958	41597	40422	22848	19112	19762	57205	101584	65974	22220	58111	17357	20981	24991	22265	49050	52731	55923	82429	71245	27715	28011	7503	21151	17411	24183	15747	14356	14792	20658	27851	15085	107382	17276	18976	23452	28358	37055	61128	15992	1105	0	0	56208	220612	0	22903	17062	47724	41119	30053	0	47531	41231	23204	26134	19341	26457	24652	36567	137454	45260	22485	46470	18300	30031	34235	33898	54284	20340	19552	12802	19463	17926	0	18475	38100	37482	32532	109768	10581	19035	48710	24086	27315	21185	19519	27982	19591	19176	25040	145512	65743	0	36929	41196	53075	44475	45152	23452	19485	23835	67407	20713	42604	0	12684	60256	Phytochemical	0.54545456	1.0	0.0
8	C22 H22 O12	479.1184	479.11923	0.060821902	479.11844	14624	14473	13611	12917	18483	7669	3523	8082	21029	33591	27388	6752	19076	5541	6753	7859	7940	18348	19529	18178	29189	21917	9827	6661	2520	5377	4954	7661	3607	5369	3420	5727	6837	4853	45437	4674	8453	4795	11438	9918	25534	7806	0	0	0	12817	37656	0	5611	7203	12150	13356	11546	0	20909	14153	7048	7218	6380	12669	11238	7665	31192	23535	7193	19876	7210	10160	12660	14138	19248	6224	5145	3869	23183	4798	0	5540	15320	11558	11501	13027	4359	8371	23361	7454	13274	8529	10139	9124	0	0	6556	24161	27908	0	14494	13220	22125	24388	20224	6576	7539	4951	14579	8909	16599	0	5229	27788	Phytochemical	0.54545456	1.0	0.0
14	C22 H22 O12	479.1184	479.11914	0.060242143	479.11844	151910	143920	130942	127117	147962	102664	57162	66388	174197	302961	193627	63566	220378	62504	80247	73118	53653	173729	183905	225399	230869	304378	81326	83454	42185	59328	55882	111510	54744	51616	61242	79181	100121	56137	839788	54585	81807	74866	53771	153655	179098	63569	0	0	0	566044	443767	412	66614	68603	120380	136344	106048	398	191776	114419	64492	78850	85237	77128	64911	292218	512636	158670	62794	166710	82423	48344	108164	114003	135099	70086	61164	53957	41787	65696	321	64942	95995	161220	96032	546070	45256	78254	144105	81052	94844	61593	83389	67099	66802	83881	82287	244939	239361	678	144700	134364	138133	143930	125968	74490	59935	85398	388488	71946	114231	0	45033	203701	Phytochemical	0.54545456	1.0	0.0
24	C22 H22 O12	479.1184	479.11902	0.16607092	479.11847	8982	11241	9864	10536	15070	14020	0	1320	17236	29013	6826	2529	39503	7098	2969	2389	1976	20047	15636	14000	16515	27251	5077	3328	2828	4438	0	4786	0	0	1904	0	8704	1312	24843	1934	2922	5085	2920	11148	8166	1751	0	0	0	30938	33976	0	2012	0	9560	13211	10852	0	23239	16802	6653	2132	5509	1755	0	12748	29678	17823	4667	20711	5239	0	8457	16164	9878	3712	1799	1695	0	1286	0	4346	9761	9379	9054	29129	1272	6813	21226	10789	6601	3436	5797	0	4087	7376	4027	17617	28702	0	9458	12180	14757	12677	12673	2355	2780	0	28819	0	12204	0	2230	34910	Phytochemical	0.54545456	1.0	0.0
26	C22 H22 O12	479.1184	479.11905	0.14612174	479.11847	5408	6134	4310	4834	8761	7672	0	0	10140	16331	4865	0	20267	4180	0	0	0	11326	9804	11384	12678	10861	0	0	0	0	2142	0	0	0	0	0	0	0	17265	0	2367	0	0	8280	4555	0	0	0	0	13049	27788	0	0	0	4467	4638	4829	0	12857	11250	5059	1664	0	0	0	6203	20571	10125	2949	10969	3108	0	0	9576	7997	0	0	0	0	0	0	0	4404	0	6862	16452	0	4334	9170	0	4065	0	2381	0	0	3741	0	7356	17830	0	5708	6226	5213	8063	5918	0	0	0	11692	0	4722	0	0	15812	Phytochemical	0.54545456	1.0	0.0
10	C21 H22 O11 N2	479.12964	479.13037	0.021205382	479.12964	48404	46469	40478	38967	33427	21657	15315	33467	43546	77340	49842	27441	56120	11019	20992	28786	27643	45580	37857	59083	86443	94225	30918	34728	7732	8747	18918	16499	23184	29747	24742	27334	38416	23114	102100	24720	34652	25016	34226	71607	104529	21507	596	0	0	89374	165770	0	24010	27034	45595	47228	25694	0	51585	32588	19292	33464	25655	32219	28088	55154	71010	50082	21006	36551	29793	35633	25023	18058	40292	26762	26801	23897	22121	23493	0	21974	31329	45198	24748	65902	17608	23654	33837	19272	29395	26139	22615	43410	14593	33801	47880	78858	71377	0	48030	44377	29573	36039	33662	36286	24345	38769	128021	31695	27964	0	16766	62500	Phytochemical	0.52380955	1.0476191	0.0952381
12	C21 H22 O11 N2	479.12964	479.13034	0.002639091	479.12964	52479	62697	52606	52988	42348	28170	23616	34960	52196	87077	52438	33959	69676	11297	31655	34478	47791	58553	60776	76805	93337	140712	43107	35556	16461	10572	17344	35020	29784	25282	34862	28650	45198	31285	128675	26466	46093	30640	42544	103009	126576	28010	436	0	0	124542	180680	0	38099	29918	58653	47092	30853	0	67507	41059	21384	38606	42984	43009	23905	90661	94333	50869	20115	57556	35234	53042	30383	31713	42426	32639	33624	26014	28461	28869	0	36640	41995	43159	30472	97619	24352	33734	44489	25653	37194	26932	30467	73817	22592	48737	60079	109582	81087	0	52449	57526	32691	40622	39548	34842	32539	40374	141931	45026	34165	0	20257	88193	Phytochemical	0.52380955	1.0476191	0.0952381
20	C21 H22 O11 N2	479.12964	479.13028	0.106180966	479.1297	8663	4574	6355	6144	6582	5973	3361	2302	9362	14528	2496	3611	16710	2278	4356	3656	0	11569	8069	0	11756	21738	6228	6219	3576	1693	2005	3148	4413	0	3425	3601	7030	4134	14748	2629	6044	3902	2171	10623	7529	2800	0	0	0	21804	22650	0	1813	3861	8206	8358	7206	0	12227	7586	3315	2667	4659	2728	3080	7911	9767	11338	3696	6244	5378	1491	1600	3754	4252	4608	0	2259	2785	0	0	3826	4033	12267	4993	16836	3512	0	10447	5940	6475	3640	5694	3535	4395	5376	10635	20601	8984	0	8036	11494	6540	6258	5325	4964	6510	4655	19296	4889	9148	0	4402	17144	Phytochemical	0.52380955	1.0476191	0.0952381
14	C21 H22 O11 N2	479.12964	479.13034	0.012824115	479.12964	53302	51461	48781	52575	40887	33601	21122	37591	43422	88007	56334	28812	74510	14779	34161	34501	34084	59627	57363	68303	90746	135608	36196	44085	19181	11384	23440	29139	31382	25560	33644	29481	41100	25547	123434	21950	39488	31694	35850	75693	109556	23081	0	0	0	107454	169737	0	29637	29171	49539	47035	28305	0	70967	37240	21530	45384	56894	33719	30704	88697	82303	57636	23081	48184	31348	33928	32061	31249	36499	29333	30474	23090	24781	25045	0	31984	39272	70902	34546	92693	24613	31154	46594	28981	32372	26336	33557	55191	24596	43336	73091	95292	89431	0	53461	51183	32204	37549	37764	35127	27636	45897	148054	37811	32420	0	23926	84248	Phytochemical	0.52380955	1.0476191	0.0952381
6	C21 H22 O11 N2	479.12964	479.1305	0.03795511	479.12967	6075	8309	4709	5913	8027	3048	2352	4515	9062	9780	8495	4207	16054	1433	2146	4337	5785	10701	9860	8950	20943	16730	5583	3763	1060	893	2948	0	2963	3483	3117	3469	5375	4384	17172	1682	3852	3696	5847	8122	17724	3366	0	0	0	10838	30613	0	4648	5593	7323	7421	4055	0	9843	9731	5123	3841	2898	6827	5284	6787	20229	10796	3310	11274	5216	6375	2755	2255	5701	3956	3828	3480	3509	2577	0	3709	4137	4197	2826	8382	1908	2038	11582	4919	5029	5630	5737	7887	0	2073	5700	13437	9996	0	8591	6467	4816	11685	12853	6223	3084	5405	12177	4198	7901	0	2702	19369	Phytochemical	0.52380955	1.0476191	0.0952381
18	C21 H22 O11 N2	479.12964	479.1303	0.084186226	479.12967	18892	17044	13612	15812	12167	12675	8323	14901	24573	37979	13446	9456	23262	4050	15581	16052	6797	27014	22429	25800	30013	45229	11753	16026	7447	3477	7310	8371	8938	6063	6345	10442	16213	8140	43719	6521	13903	9353	13135	29829	28075	8074	850	0	0	46688	50266	0	7490	9344	21241	20181	12834	0	31323	15435	9955	13070	10712	8553	8517	28069	36258	22762	8693	21073	15123	9809	7112	8599	9221	11572	6313	8078	3571	5100	0	11584	14655	24395	12733	48133	8677	8920	15576	11847	16553	11961	8020	11981	5627	13881	22707	39805	37093	0	18375	18221	10343	13662	15773	12769	7892	7589	41020	14425	11910	0	7736	34111	Phytochemical	0.52380955	1.0476191	0.0952381
26	C26 H22 O9	479.13367	479.1343	0.008600314	479.13367	6326	5001	5788	4011	7695	0	0	0	10990	18917	13632	0	9152	2813	0	0	0	5729	8684	12047	16129	12023	0	0	0	30635	0	9476	0	0	0	0	1635	0	24448	0	0	0	0	6381	14608	0	0	0	0	8880	12953	0	0	0	4697	8099	6084	0	5880	8069	0	0	0	0	0	6666	16283	6613	0	6345	2841	0	32164	34901	53927	0	0	0	0	0	0	0	4795	10035	4042	8270	0	7738	12020	7116	5892	4254	0	1823	0	2170	0	15277	21450	0	5515	0	5999	8801	6862	0	0	0	0	2405	7649	0	0	9614	Phytochemical	0.34615386	0.84615386	0.0
18	C26 H22 O9	479.13367	479.13425	-0.05874843	479.13364	16434	16239	11996	11760	13416	6718	2888	3854	16446	59903	48590	2216	14051	9865	4734	8901	0	11033	16381	29240	34328	17083	6368	4856	3168	67131	4842	33307	0	2462	2775	2978	3752	0	75802	0	4761	5133	2091	20927	22421	2796	0	0	0	13953	22876	0	3422	3850	10733	14561	6246	0	10900	11924	7987	5934	4879	4511	3870	18617	15788	11801	6773	14281	7020	3620	54315	71713	86395	4199	0	0	3784	0	0	3552	10422	18360	9153	16933	4856	15961	18235	8376	8437	5422	5920	6831	8872	9944	8549	19411	27131	0	12133	11454	16043	11668	12127	7196	2955	3520	11224	4078	11336	0	5820	11573	Phytochemical	0.34615386	0.84615386	0.0
20	C26 H22 O9	479.13367	479.13425	-0.010801419	479.13367	27353	31014	16280	22453	21619	9696	4481	5764	28458	86445	69053	3989	34274	17935	5797	6051	4046	20097	26575	58662	48120	37954	7995	6096	8813	111113	5080	50629	5499	0	4662	2525	7755	4713	103988	3891	9759	5881	5340	35128	38382	6232	0	0	0	25578	29797	0	2663	0	19208	23170	14864	0	21375	18586	12853	5796	7082	3734	6977	23298	33536	17036	12040	20870	13386	5690	87179	114179	136059	6121	1288	2128	3681	4519	0	4499	17710	34572	12115	23746	7068	38492	22181	16399	17150	8954	10182	11763	11991	13511	8157	49501	46975	0	19799	21988	28426	20166	21105	6039	4704	8630	23706	9774	23279	0	6937	27397	Phytochemical	0.34615386	0.84615386	0.0
24	C26 H22 O9	479.13367	479.13422	-0.005015476	479.13367	11478	12499	9509	14257	12914	6425	3090	1442	17658	45357	30971	2190	18377	4451	4276	3933	2647	18172	15623	24878	31675	21495	3865	2673	3531	61758	1908	21750	2606	1547	1755	1453	3727	880	57453	0	2320	2087	3214	16358	24172	1938	0	0	0	18496	22505	0	2225	2144	12560	12412	8881	0	12002	13044	7044	3273	2879	2525	3346	12020	22584	12686	7645	19191	5720	2413	56117	60532	88537	1095	0	0	1738	1022	0	2092	10326	14401	6844	16459	4014	17232	24754	6784	6447	5441	7573	4089	4641	4199	3849	27256	22581	0	10265	9663	13067	15801	18458	2437	1724	2320	14966	3556	15090	0	3925	20591	Phytochemical	0.34615386	0.84615386	0.0
22	C26 H22 O9	479.13367	479.13422	-0.051440388	479.13364	19916	22563	19002	19993	23596	14942	3483	2722	32209	70928	65852	4070	20102	15948	3626	6618	3210	25668	23721	48596	50408	30380	9286	5195	8559	110927	4732	50304	3161	1482	4419	0	5464	4754	100833	2734	6147	8105	3125	35726	33149	5956	0	0	0	26524	38018	0	4609	3067	19704	20430	12257	0	19874	23144	12320	5101	9730	6623	5877	22636	37970	19179	9468	24964	11508	3578	97775	108515	139157	4375	0	0	1903	3346	0	1607	17822	29428	15662	26575	8573	33072	39229	18804	15067	9681	6632	9096	10240	9744	6678	44297	50066	0	18332	17989	28616	27008	22992	3202	3490	4698	22437	6664	22231	0	5190	28979	Phytochemical	0.34615386	0.84615386	0.0
28	C26 H22 O9	479.13367	479.1342	-0.05948358	479.13364	2960	2509	2346	4028	3040	0	0	0	3575	8438	4990	0	4160	2466	0	0	0	3610	4317	5892	6648	5500	0	0	0	10888	0	4930	0	0	0	0	0	0	13040	0	1147	0	0	3938	6511	0	0	0	0	2541	7284	0	0	0	2771	2774	1693	0	3771	2671	1332	0	0	0	0	2613	6989	2288	2263	4468	0	966	17169	15716	27634	0	0	0	0	0	0	0	3616	7698	2404	2006	0	3853	5149	0	3395	1271	0	1119	1086	2012	1635	7913	8198	0	2351	0	3028	5628	4277	0	0	0	0	0	2401	0	0	3544	Phytochemical	0.34615386	0.84615386	0.0
22	C23 H26 O9 S1	479.13702	479.1378	0.40688315	479.13724	22422	19312	19890	10354	11236	13578	2109	0	20896	57564	42686	2967	28724	0	5747	4124	3563	15817	9370	37354	60610	31375	4613	2839	5232	41432	2539	30872	3759	0	1703	0	2626	1568	58894	2871	2972	3700	2657	51530	39458	5052	0	0	0	20831	40566	0	4629	2417	9369	28170	6627	0	25564	16204	9864	2980	7525	5309	3269	45986	10059	11933	2449	20646	5751	2506	43130	80356	52378	2701	0	0	1536	1582	0	2861	5747	12269	3069	30470	16062	31382	21724	4956	5640	3161	12372	5125	18830	44018	7810	26245	41681	0	12917	12856	17472	14608	7418	4027	1728	8706	30888	4854	10212	0	3512	29000	Organosulfur	0.39130434	1.1304348	0.0
26	C23 H26 O11	479.1548	479.15546	0.22691725	479.1549	11477	10827	12099	11029	11308	11876	0	6093	13071	32887	6914	0	23569	4246	8119	8855	0	23790	14130	36031	25146	13530	10824	8897	0	7851	2582	9695	0	0	3157	5429	7909	3485	33205	0	6745	6714	3642	14691	8955	0	0	0	0	25674	21790	0	5207	0	11315	10309	9223	0	19894	12041	4847	5911	4175	0	5912	11848	21942	11435	0	16524	6304	3722	12781	24610	12458	5151	4005	0	0	5735	0	7307	9878	6283	8849	15406	2423	9611	16672	10350	10563	6260	5570	3489	7147	9311	7819	10212	18466	0	8460	10441	10163	8776	10394	0	3316	10682	12025	5193	9139	0	3377	23502	Phytochemical	0.47826087	1.1304348	0.0
28	C23 H26 O11	479.1548	479.15543	0.11041792	479.15485	8135	6152	6607	5380	8451	4588	2254	3851	7135	21222	4849	2476	15496	3424	4037	3434	0	11667	5986	15718	16452	8819	4072	6248	4278	7267	2240	4770	3093	2633	2514	2224	4075	3738	21232	3031	4147	2017	2457	9553	6436	0	0	0	0	10386	14534	0	3985	3046	5146	4907	6088	0	9086	6650	2603	3601	3015	2871	2894	7250	12384	7678	2987	6935	3582	2132	6285	19922	13497	5242	2170	2989	0	2831	0	2568	4976	4534	5338	8488	2235	5773	8214	5196	4875	3190	2371	2386	4522	7013	3292	3296	10226	0	7624	6366	5339	4922	7607	2449	2114	4094	9891	2809	4057	0	2494	13459	Phytochemical	0.47826087	1.1304348	0.0
22	C23 H26 O11	479.1548	479.1554	0.014002015	479.1548	79277	80496	64678	71494	77093	76314	23102	56190	95830	201662	62824	37268	122008	53711	57518	44099	20103	129550	91767	145699	133699	98382	62923	64748	56851	76103	26444	40384	48293	37448	58247	55562	57540	42510	177589	48745	64098	44328	27070	108300	56594	30989	2848	0	495	157387	121653	0	60931	50966	79161	72832	57199	648	120091	70020	41264	54818	54632	21607	51592	69757	137009	87581	34075	85319	48007	26135	60931	144642	105381	58260	43014	39581	22153	46396	700	45185	68827	41542	61781	108615	28061	60418	83428	54842	57695	31678	46546	22662	47499	66317	62777	61821	99873	0	70861	67130	71327	63721	63118	42335	34413	48350	110472	48038	69843	0	41975	149304	Phytochemical	0.47826087	1.1304348	0.0
14	C23 H26 O11	479.1548	479.15552	0.052335143	479.15482	622810	613016	533630	556414	391548	158066	183095	502832	474520	1413502	789548	161146	481428	111688	405876	236820	152377	509808	520068	1051056	1031926	849518	444424	257805	289406	296434	295064	294153	200509	437206	429360	270744	491538	373816	1752966	217162	464752	368716	333236	785684	385873	277058	6453	677	380	962386	571248	0	481054	470286	564004	558274	302648	709	497552	297132	249102	512030	302064	191904	299625	555712	577376	461078	215592	421764	288352	332400	333683	835552	818928	443024	452174	446354	157041	437926	0	355788	476892	239013	418182	748650	375240	261860	406742	127781	418418	274032	314922	204120	194683	220978	491376	595184	649744	1083	586250	537472	412752	353948	327026	240076	167394	597546	447887	400194	318484	0	339388	511512	Phytochemical	0.47826087	1.1304348	0.0
18	C23 H26 O11	479.1548	479.15543	0.033271357	479.15482	774137	680692	692130	675906	629303	499788	287447	600300	668890	1864760	654051	306630	952814	325196	520125	464819	242164	845333	836594	1427356	1212999	1883776	533037	554891	406720	680420	297602	487268	530598	440254	543828	538342	613066	476648	1961895	482670	622724	409669	294749	2185081	566352	309271	16769	2400	1768	2777232	1869431	2160	565538	426626	708412	714246	473095	2716	869266	473875	315794	534788	554358	263117	512831	1434230	987674	672126	270791	671792	433846	284240	593820	1199053	815484	544722	470094	523364	251748	520428	1972	436770	520937	437369	480343	2009307	415600	624462	555798	403368	450748	288588	381229	293188	544543	623191	599191	580109	845376	3622	708423	645394	614509	441128	401714	473429	338936	571308	784312	420445	453408	1870	355611	947446	Phytochemical	0.47826087	1.1304348	0.0
16	C23 H26 O11	479.1548	479.15546	0.043560885	479.15482	418827	829858	771838	789006	309539	246168	196955	325178	762384	2067250	869336	191252	849162	162561	289363	270716	157561	401105	440941	1615012	1442672	1061150	308630	319489	212303	401487	173663	326565	292018	281797	660224	340371	352530	252082	2450184	277451	674744	508970	212440	1206946	781994	169661	7850	1091	851	1406892	1165264	879	313165	567932	801208	805374	262188	940	800662	230281	168597	302975	349536	168847	325840	723324	948856	623772	146871	341057	225695	186823	364352	1368550	1051860	349384	287715	297758	180316	313077	507	229024	295757	281236	525442	1132424	243630	682544	301850	184750	236212	160133	213458	220186	248066	662818	382790	677168	1025444	3179	767912	758124	286605	221063	224288	276800	198505	318619	466705	323732	249194	1152	445322	917590	Phytochemical	0.47826087	1.1304348	0.0
16	C22 H26 O10 N2	479.16602	479.16666	-0.061075207	479.166	89124	95968	96755	94938	50487	51522	65422	107050	63362	143640	54685	47909	95415	25922	78765	95089	52846	93776	101449	119880	109548	152946	81113	106151	89541	23847	52623	51436	93859	73544	94350	104265	106483	80370	206823	79447	117203	71107	58082	145163	89081	49594	1121	0	0	129056	88027	0	106592	82742	90307	94328	52053	0	93695	42278	36808	91571	116024	50486	108705	91239	79190	68082	35518	69632	56799	54964	28775	65401	45762	95523	87536	82379	59092	75817	0	61986	78846	68949	54926	89354	69475	72977	58017	46528	81284	52410	56405	89443	103998	132778	172634	81036	129481	0	90715	85957	34200	42423	46057	107921	47420	105436	77250	115962	44404	0	68063	104018	Phytochemical	0.45454547	1.1818181	0.09090909
14	C22 H26 O10 N2	479.16602	479.1667	-0.040030573	479.16602	134236	136465	117205	131834	69643	78016	88408	162626	88355	235185	112012	73826	108045	41430	116727	122226	83257	112423	119881	211094	182160	261377	115518	145047	111476	46044	75504	85912	129717	111120	113303	144624	165445	111529	294771	120475	143816	89577	90606	219576	142633	70575	0	0	0	211226	171324	0	131793	128518	133353	116205	76000	0	134662	54169	49008	149033	215239	80542	156709	154413	119803	92222	41399	91882	74854	96002	37214	117561	58094	123821	110160	125827	81694	103119	0	94396	101771	124654	89712	118605	97747	99083	71297	61088	97538	72036	83495	130960	139044	167879	227145	124012	160016	0	137608	130173	57150	57401	57301	136485	85651	188746	197354	134697	52627	0	88642	127886	Phytochemical	0.45454547	1.1818181	0.09090909
6	C22 H26 O10 N2	479.16602	479.1669	-0.013125553	479.16602	22264	25682	21916	24302	14917	10467	10639	21626	16581	42870	20987	13481	29124	5987	15127	26705	19421	19350	23218	28613	39995	41391	17273	24931	9481	5605	9857	11372	17128	15267	18470	18758	25674	16594	56487	18278	24186	13998	26015	26060	46364	11330	0	0	0	25160	46811	0	20444	16406	23320	24161	12726	0	26112	17284	9272	21660	14594	20652	21076	18196	34839	23233	9381	20836	15268	24083	10309	10583	20525	19137	15003	17099	9614	16082	0	11984	16965	12617	12572	17069	11258	12215	22069	14803	16697	13978	14581	33479	16014	22217	35512	27423	34386	0	24897	22831	13491	24115	23881	26385	10683	24756	21771	21356	11224	0	12105	30196	Phytochemical	0.45454547	1.1818181	0.09090909
20	C22 H26 O10 N2	479.16602	479.1666	0.059702806	479.16605	17973	15671	13895	10271	14940	12192	9072	17583	9545	24025	9694	11417	18125	4980	15676	14769	7256	17944	12848	18480	13591	22264	14271	17916	20965	4129	9815	9126	9538	13038	12922	15532	17930	15770	24687	13171	17292	12900	5225	22490	9432	11154	0	0	0	24842	12361	0	9708	13132	9283	9445	11751	0	18602	10891	9113	13686	13477	7849	13158	18184	14033	16751	6188	11955	9493	7631	2506	9353	0	15485	11508	13740	7699	13813	0	10980	12981	10237	12527	11938	12199	13388	6849	12733	15170	10704	12357	9647	14938	22893	28318	11761	15400	0	15495	12196	8873	13101	10312	16520	11093	14901	15526	23545	6714	0	9937	27683	Phytochemical	0.45454547	1.1818181	0.09090909
26	C27 H26 O8	479.17004	479.17053	-0.025861649	479.17004	10499	11461	9222	11272	9740	4935	2008	0	12317	17566	30618	4827	16953	6287	0	0	0	11745	12903	18579	27082	12701	0	6578	0	71941	2935	21286	0	0	2665	0	4263	0	32507	0	2608	0	2447	16099	23953	0	0	0	0	13957	15796	0	4384	0	10974	8767	9559	0	15348	7579	3887	4108	3407	3065	0	13958	17666	9819	6103	14640	6277	3286	76411	54321	87192	0	0	0	0	3067	0	0	10453	13710	7847	7405	3647	17730	21035	0	7517	6383	4242	7047	4879	4642	5220	13069	9878	0	7870	9625	15667	18713	16899	0	0	0	0	3989	12030	0	4060	14116	Phytochemical	0.2962963	0.962963	0.0
28	C27 H26 O8	479.17004	479.1705	-0.054200377	479.17	3989	4226	3865	2861	6941	2428	1003	0	5438	9810	10122	0	5156	1782	0	1969	0	3598	3620	7535	9438	4383	0	1935	0	20962	0	6962	0	0	0	1700	2004	0	9617	0	1102	962	2154	5422	8670	0	0	0	0	4115	5410	0	1105	0	3573	3449	2497	0	4213	4685	2844	1939	0	0	0	3942	4191	3157	1778	6013	2380	1563	26700	20590	39061	1645	0	0	0	1540	0	0	3208	4088	2862	2158	1788	6058	5839	0	3535	1704	1911	1618	1670	0	0	6161	5761	0	4272	3633	4078	7024	5401	2125	1450	3752	0	1165	5134	0	1158	3203	Phytochemical	0.2962963	0.962963	0.0
20	C27 H26 O8	479.17004	479.17062	-0.0171427	479.17004	27153	38742	31158	34472	40106	21247	9817	16124	36202	93037	81693	10711	32249	35014	17718	21223	11710	23958	36643	90575	77058	36981	19141	18865	12460	177286	12432	75092	10375	9748	14764	11622	15189	8721	112702	11379	12491	11620	15193	53493	60811	15544	535	0	0	27191	36885	0	11558	13574	34553	38477	24366	0	26337	32203	18571	17683	9927	17437	15206	34831	40023	25520	12495	29821	17315	13402	141121	173578	217412	9656	11115	11537	8427	10034	0	12985	32132	32294	22307	22070	16293	61838	47205	20929	33667	18927	18035	30194	20491	24211	27930	39759	43266	0	32165	31975	31745	42864	37636	11777	8685	17016	28147	20928	29269	0	19250	33629	Phytochemical	0.2962963	0.962963	0.0
24	C27 H26 O8	479.17004	479.1706	-0.006705889	479.17004	26755	28714	27577	26606	32548	11763	5120	8308	34156	71884	74447	5417	30726	17681	12251	7541	7480	25841	31918	63177	59301	26476	14714	13223	14046	153884	4948	62086	6773	2119	8398	6562	9577	4580	82785	6067	8966	7258	8528	46629	52466	11701	0	0	0	39742	35522	0	7164	9263	28472	25395	16709	0	27054	26624	12598	13084	9103	9770	9550	37117	43736	25873	14174	31401	16040	8748	145810	140930	176859	4711	6466	0	3354	7404	0	7858	22177	23735	19072	28305	7442	41638	44047	18649	23338	10879	11742	11747	14335	16602	13910	30247	34275	0	28012	22395	33128	33995	33477	7310	5736	12106	22335	9307	26928	0	10826	35001	Phytochemical	0.2962963	0.962963	0.0
22	C27 H26 O8	479.17004	479.17062	-0.035591815	479.17	38506	43141	40700	41870	44686	21984	10441	15284	52220	112261	105330	11863	39708	27082	13017	21989	13199	39712	49380	87119	91071	43978	24122	21728	16732	238950	10577	89814	10808	10617	12732	12277	17327	13290	122599	9564	17829	16435	13776	71281	78673	18344	0	0	0	45813	49120	0	14796	12926	42190	38967	29566	0	31579	42064	22966	18632	15753	15801	18058	45624	45557	34383	25455	35624	32304	13816	185151	208709	262695	13623	10419	8324	5785	11534	0	13610	37130	40344	31777	34694	14068	60095	58938	25245	35506	19701	24830	23558	23754	24500	25053	38715	56843	0	36399	41487	47318	43366	36983	15570	10087	23398	33163	21556	37302	0	21355	49192	Phytochemical	0.2962963	0.962963	0.0
16	C27 H26 O8	479.17004	479.17065	-0.07447383	479.17	5899	0	5474	5837	6041	3797	5056	5722	5649	11636	15439	4027	6273	4858	5598	6035	5133	0	9632	16795	10426	7960	5810	6335	2388	25059	3119	9405	2652	3930	3333	7601	3010	4465	21580	5188	0	3304	7998	8690	8044	2515	0	0	0	7424	6777	0	4321	4510	7495	7577	2717	0	3961	4320	4213	3959	6051	6611	10118	5870	5161	5557	2408	5572	2036	5567	19709	26754	37448	0	2594	3342	4826	3500	0	6625	8957	0	8228	5423	2314	10848	7149	4625	7831	2280	3600	0	5027	5339	0	6660	7250	0	6503	4897	5449	5885	1842	0	3119	7712	0	0	5496	0	2753	4787	Phytochemical	0.2962963	0.962963	0.0
10	C21 H26 O9 N4	479.17725	479.178	0.025697015	479.17728	9940	10559	9074	8741	4339	2675	7124	12476	5142	5511	2673	4700	4190	0	9015	12000	8284	7153	10770	6556	5649	13808	10378	9752	8681	0	5059	0	10773	9943	9703	8070	10854	9434	9849	10072	12611	7553	8293	5695	8967	3392	0	0	0	6382	7953	0	16334	8416	6932	9071	5201	0	8350	1925	3231	13214	14905	8153	11884	3690	5293	3901	2594	5983	3458	12454	0	0	0	8616	7027	9025	6825	10184	0	8196	7849	0	6954	4195	6389	4345	4136	2601	9898	6506	5448	16180	19842	16689	23696	4273	5195	0	4914	9731	0	2351	2145	11616	4181	11918	0	8496	2563	0	8293	5668	Peptide	0.42857143	1.2380953	0.1904762
8	C21 H26 O9 N4	479.17725	479.1781	-0.005870087	479.17725	10708	9977	9544	10723	4540	3808	5779	13216	4966	6399	3857	6204	6040	0	8740	12638	10149	6415	7627	12418	6734	10899	10616	15256	8352	511	5969	3294	8586	9466	11416	10597	10798	8913	10637	12360	13580	8492	12618	8495	9580	7590	0	0	0	10126	9093	0	15956	8825	10402	11285	4684	0	6917	2379	4942	13851	13190	6919	11330	5007	6703	6847	3592	6224	4966	12235	0	2862	0	12583	8332	7107	7983	6268	0	8858	10375	4822	6265	4537	7071	5107	4080	0	10368	6799	7698	26281	29273	14489	26708	8040	7674	0	11393	8701	2879	4827	4580	13325	9273	15762	0	11783	3707	0	9638	6591	Peptide	0.42857143	1.2380953	0.1904762
4	C19 H30 O12 N2	479.18716	479.18805	0.1643629	479.18723	3251	4711	4330	4100	3207	3567	1371	3474	1245	0	0	2774	2430	1775	1519	22559	5756	4998	3612	0	0	2767	2900	8247	825	0	1572	0	5695	10692	4785	8049	3907	9352	0	5301	6131	2551	6553	0	1030	2769	0	0	0	2418	0	0	9244	3068	3912	5182	1872	0	1352	1076	1296	24935	0	1150	8991	0	11314	0	0	3251	2705	10001	0	0	0	6493	4819	5993	1622	6804	0	2348	1153	15569	1961	621	0	0	1257	1363	1869	7177	5320	3887	14032	5844	4962	0	0	0	3664	4596	0	738	0	3967	3012	0	0	5729	1887	0	2780	7308	A-Sugar	0.6315789	1.5789474	0.10526316
26	C24 H30 O10	479.19116	479.1918	-0.010693237	479.19116	24111	28682	21650	26172	25189	21471	5924	19790	27691	65081	14981	13813	46266	15858	22469	20821	13179	44419	37478	54409	53000	23999	24293	30399	18295	27175	6387	20069	22603	17703	17870	16432	21170	19481	65237	18903	22685	17710	10573	35746	19752	12336	0	0	0	34826	23500	0	21904	16885	25435	25716	19695	0	41974	22456	10882	21338	17457	8170	21017	22090	42260	25876	10393	27554	14916	8713	25387	65448	47327	21343	20520	16831	11199	17280	0	10829	27550	10899	20558	18607	9932	21566	31483	16457	21823	10498	13041	16268	21835	22549	29555	14680	29269	0	26941	28607	18163	23843	24320	15133	9808	24378	12788	19401	18592	0	16054	39512	Phytochemical	0.41666666	1.25	0.0
28	C24 H30 O10	479.19116	479.1918	0.02988679	479.1912	10799	9948	9491	9076	9056	8589	3256	7107	10473	29743	8169	4272	18227	6269	7188	11490	4038	14340	17233	25422	24769	10251	8791	9890	6627	13837	4081	9717	7214	6606	8484	7466	8168	8896	28576	8446	10776	6536	5798	12902	7700	4854	0	0	0	13056	9187	0	6899	7749	10877	7382	6631	0	14031	6217	4675	9137	5017	3238	11001	8867	13075	9575	4234	11601	6781	4584	13803	28916	22325	8042	7241	5653	5258	5756	0	5612	11559	6166	7923	5871	6406	8138	11145	7977	10009	3900	5914	6798	8033	10638	14776	5114	8042	0	12218	11226	6961	8889	7928	6582	3852	9037	6058	6852	5472	0	6113	17090	Phytochemical	0.41666666	1.25	0.0
14	C24 H30 O10	479.19116	479.1919	9.81E-5	479.19116	526690	483870	480834	518070	128187	111120	170907	503034	330902	780024	510998	350584	311132	88285	386648	249689	201118	322270	367716	771002	688570	261722	405348	559464	353044	285147	337112	233811	428436	471894	402796	282398	468586	346648	855394	447620	418662	348138	425136	499388	287589	242706	0	0	298	496486	269311	528	479288	446916	475424	470076	235734	699	386132	262716	222024	551592	254569	224788	333628	355976	362254	173081	183068	299596	248564	433402	284943	673326	689912	386984	395644	483698	376294	447428	259	359028	498596	150301	421626	334398	394036	376480	166682	112286	417264	112277	267436	257897	194866	367136	525406	165292	384856	1439	494294	472324	142663	141325	134708	410614	328810	569018	226715	365468	118485	0	359628	333236	Phytochemical	0.41666666	1.25	0.0
18	C24 H30 O10	479.19116	479.1918	0.021458367	479.1912	801513	724987	742048	655146	495428	422933	384595	797064	581733	1694724	748412	376319	732766	300412	603507	593238	318613	715736	840849	3029804	1283250	725532	593851	1507320	507447	841729	345651	669181	717014	603879	712668	710748	732668	590892	1881260	639513	1459862	510199	390859	1984202	574296	368938	13721	2337	910	1743408	510702	1443	720777	631601	734090	704759	449451	2480	830972	465336	318435	1359356	1234766	313146	645695	1198748	779064	605608	273309	590470	417457	400358	708427	1461404	1057670	1420152	575436	687510	380542	678401	742	488694	617635	335784	581925	559513	475317	556060	496861	376130	542374	333966	440658	411034	621883	725390	788513	390432	640676	4635	711772	682357	527898	372918	357136	603190	435567	742318	428763	551478	395867	1771	441940	752360	Phytochemical	0.41666666	1.25	0.0
20	C24 H30 O10	479.19116	479.19177	0.013206426	479.1912	577815	568124	570408	522131	447540	419414	268351	593851	588574	1486959	489036	282599	692323	281044	529537	415702	223410	684114	661700	1266138	1087472	653191	474697	579976	475426	673149	228947	445780	569615	463297	518482	485890	570191	453607	1601981	485120	647307	383512	222439	833630	373967	313785	10775	2024	941	741442	419655	1404	507764	449187	554667	586368	387723	2224	714597	381060	253323	503746	545926	195319	479483	490297	689220	552252	212666	478678	347108	243940	509832	1251316	746207	563332	484232	525681	264900	462916	786	420723	464844	233028	420082	373400	359170	500066	409219	292387	381919	253395	340218	277485	517266	608606	649290	301988	475551	4067	572907	594311	409959	341806	306543	485502	325087	578085	423685	468103	348923	2155	316523	809278	Phytochemical	0.41666666	1.25	0.0
22	C24 H30 O10	479.19116	479.19177	0.014786567	479.1912	240920	243692	209802	226226	202335	211355	108017	246103	287810	600097	199033	129396	310470	136369	208436	177074	84710	355326	274119	501397	445934	277781	215978	234685	212263	269312	87054	168347	220102	180453	222413	213935	229099	197957	632555	203672	277177	170920	97576	326149	152646	114698	4730	0	676	312560	187669	0	208287	197575	261258	227204	173770	1733	350827	185388	116033	211588	210579	78512	192607	201735	333998	256018	100296	227036	150363	93348	222203	547049	326850	223849	184407	205188	99595	176353	460	179041	214007	94939	190559	173747	134480	165665	209414	139964	184569	103594	146065	110705	220239	265798	271073	142269	221747	0	218315	226743	163725	166730	145019	184353	144838	218519	186448	189762	164719	0	136285	391817	Phytochemical	0.41666666	1.25	0.0
12	C24 H30 O10	479.19116	479.19183	-0.05294931	479.19116	112493	205242	201870	196872	43030	34987	94502	210746	54373	132059	87715	121726	35739	26567	125750	108906	89211	87410	127184	279170	236138	112715	154504	109054	113016	185114	73894	73702	169558	85872	153192	183172	177756	68334	252418	160652	83872	149790	185038	160400	118029	44450	1428	0	0	94666	126003	0	187894	196036	196642	105895	40029	307	132684	37422	36883	97327	82246	91184	133568	130962	65405	50924	24672	49632	87048	104876	80667	233644	241508	140162	79291	173244	85918	166726	0	111696	179658	67777	169748	66919	151618	67964	49060	33531	163448	28091	44650	132624	73518	80022	96402	53852	71664	719	98588	99544	48594	47127	51232	204156	109214	107539	68022	137978	45488	0	133656	68811	Phytochemical	0.41666666	1.25	0.0
20	C23 H30 O9 N2	479.2024	479.203	0.05695329	479.20242	31188	36200	24078	33698	28898	29686	23310	34722	23024	55574	21388	15172	28352	6530	40730	33692	20362	36266	42122	53066	29264	47888	35622	49148	51776	0	21642	19942	46032	37206	35024	38232	46952	39280	53100	35980	63712	27544	14670	48704	21966	19290	0	0	0	36546	13600	0	41798	31180	29524	34748	24812	633	21596	10028	10882	38564	49738	16542	41152	20230	31260	17418	11990	32414	21710	20764	8006	34586	15610	42328	35994	32212	18732	30488	0	26156	32014	18122	22012	18926	36232	18106	14266	18768	26004	21856	29746	28874	55772	83186	92648	17728	28404	0	31628	18320	11082	10370	10962	54072	20238	47293	24148	60018	8842	0	36132	47648	Phytochemical	0.39130434	1.3043479	0.08695652
6	C23 H30 O9 N2	479.2024	479.20322	-0.06284051	479.20236	20354	22347	14627	18252	10021	8716	12092	25466	10229	26649	11992	10819	15386	5235	16525	19416	12202	12838	19137	29106	28228	33190	16514	27337	14862	4708	7804	9275	21148	18683	15399	20130	24520	14917	38286	19901	20106	12242	17041	22478	21274	8927	0	0	0	21481	17391	0	23003	17769	19384	18705	10574	0	16464	8050	6722	22045	14071	11112	22299	14775	11127	10850	5207	14904	9721	19962	6087	12159	13516	19239	17782	14967	8541	14387	0	10991	12389	12606	9672	9295	10648	13095	7936	8495	16075	10261	10548	22720	17729	28703	35608	19297	25740	0	19480	17821	6458	7974	7378	21990	10305	26145	14109	21621	4979	0	9933	15634	Phytochemical	0.39130434	1.3043479	0.08695652
28	C28 H30 O7	479.20642	479.20697	-0.003775572	479.20642	6597	4763	3495	6223	8913	2906	2524	3468	6978	10155	10821	2147	10447	5387	0	4878	3191	4506	6905	7437	9041	3891	3597	4346	5562	30525	2161	14670	0	0	3871	2522	2897	2549	12356	3888	4197	2239	2751	7748	13467	3175	0	0	0	3650	7712	0	3047	0	7842	7003	6564	0	6430	8175	3650	4306	1669	2462	4425	3636	7193	4654	2586	8993	3301	3693	34077	23288	46718	2706	1594	0	2548	1658	0	2136	7015	6500	5554	4246	2578	9382	11070	4744	9282	2836	4515	4123	2057	3220	3886	6143	4785	0	5609	6461	5150	14199	14217	2897	2033	3699	0	4538	4477	0	2261	6466	Phytochemical	0.25	1.0714285	0.0
16	C28 H30 O7	479.20642	479.2071	-0.045979388	479.20642	7469	5125	5954	8473	4484	2094	8359	7636	3315	5913	6826	4580	3514	3815	6439	5327	9118	2645	3058	8651	3382	3480	4437	9171	4097	16898	4984	3823	3918	6922	6412	12536	4866	5001	6505	6755	0	5829	12302	3450	6926	0	0	0	0	1948	6122	0	6062	10614	9846	5569	3762	0	2406	5415	2336	6154	5572	6352	8840	3876	2657	5440	1954	1552	5213	7692	10193	7776	20505	2007	3100	6022	9947	7745	0	5241	9893	4735	5132	5723	3925	3994	6197	1314	11744	0	6277	0	3662	5701	0	2191	0	0	7256	3377	4401	4981	6411	7565	4800	6318	0	0	2746	0	5479	2376	Phytochemical	0.25	1.0714285	0.0
26	C28 H30 O7	479.20642	479.20703	-0.05231024	479.2064	23479	26674	22743	26971	27518	14733	8720	12143	28726	38243	54969	7975	31136	22406	10128	14368	6989	25758	27740	50095	51502	21617	14769	24085	13758	146276	4644	54729	16151	11326	13400	9456	14540	7971	53893	12080	16793	11305	11187	35361	53184	14607	0	0	0	26888	33887	0	10716	11815	25268	24462	21757	0	30026	36249	15348	14063	12225	13562	17834	24661	30314	23011	10395	32389	22852	13684	159812	102773	150065	10983	10064	9383	0	13039	0	9935	25657	21345	20167	24005	13805	39408	43614	19809	24089	16983	13921	20734	10804	11531	20201	24440	25344	0	25633	27975	22953	46841	43017	14668	5738	19897	13940	13130	27578	0	15386	23155	Phytochemical	0.25	1.0714285	0.0
20	C28 H30 O7	479.20642	479.207	-0.059589785	479.2064	56006	44357	39295	44563	40168	18726	23187	38799	44093	62351	61402	21235	37836	31756	32084	46723	34264	34572	49787	75655	83294	35681	33579	41800	27602	176081	25405	54813	34175	30144	27650	28239	30324	23824	69671	27583	36057	30677	35985	54772	73188	21720	0	0	0	35406	35494	0	33774	30085	47919	43016	33014	0	34273	32346	23686	40617	24316	30828	32617	39632	36838	34380	24737	37181	34037	35826	127823	159461	221106	23027	25041	22955	28098	28069	0	22274	59730	33435	41375	25918	31038	64585	52723	27960	55985	30861	28303	55526	40537	35263	55016	33899	41438	0	50225	41967	40510	48473	42910	38071	24886	44840	19692	33245	37016	0	35942	31275	Phytochemical	0.25	1.0714285	0.0
24	C28 H30 O7	479.20642	479.20697	-0.054641727	479.2064	65495	67859	66906	74601	66442	41946	16614	41297	63288	102369	120020	27661	77339	43086	33553	58923	33917	60187	74374	131458	119689	61004	42300	47229	36568	317509	19902	122709	37750	30454	37168	40541	40752	41730	132120	31846	50617	31712	27444	90736	104829	39983	0	0	0	66838	64765	0	40059	37896	62396	66856	51596	0	72460	56104	32576	53222	34161	29036	51495	76150	65577	52929	27997	76160	53692	31462	293363	260776	351275	37417	28843	25556	19406	33556	0	30832	69092	44085	50000	44720	32757	89461	84333	40030	61573	38090	36918	37483	41418	37363	65236	56209	62998	0	63251	59742	52459	69664	85500	45540	27374	52595	38614	43093	58581	0	34462	63402	Phytochemical	0.25	1.0714285	0.0
18	C28 H30 O7	479.20642	479.20703	-0.101175874	479.2064	24648	20165	15335	20014	15834	7445	9509	13818	11499	21489	24783	13387	12213	9179	15735	20449	14204	11415	12564	26614	22600	12907	14367	19794	15620	56139	13286	19120	14755	17039	19525	12877	21516	10117	20949	12941	15143	17514	24395	18079	34549	9626	0	0	0	12644	19583	0	18281	16312	21949	21740	13566	0	16320	16285	11214	18518	13840	17567	15099	14435	13375	10309	7647	12115	13144	23750	39244	43602	84179	11558	14369	13140	19590	19068	0	12171	26442	9433	21672	16121	12267	15314	24488	9723	25078	11103	10646	22037	14458	14309	24013	13906	15568	0	13205	16414	19902	18561	20301	18405	9010	16342	12345	15487	17668	0	14696	13292	Phytochemical	0.25	1.0714285	0.0
4	C22 H30 O8 N4	479.21365	479.2146	0.12755884	479.2137	3355	2722	2725	3267	666	2006	1201	3396	505	0	1517	963	1057	0	2839	3299	2839	2130	1884	1312	0	2963	1484	3078	3130	0	1746	7606	1906	1393	2225	2472	3919	1186	1694	2596	4956	2321	4391	1431	1625	1012	0	0	0	1858	2181	0	3222	2927	3522	2580	767	0	2332	420	1105	3134	1434	1558	2178	979	993	878	0	1163	796	3865	0	0	0	1372	2033	2444	1400	2341	0	2283	2155	28082	1779	734	2249	823	469	757	2799	730	1685	5173	64772	22180	6809	4023	1294	0	1736	3046	1119	1003	420	2116	1879	3260	0	2894	695	0	2279	1105	Peptide	0.36363637	1.3636364	0.18181819
10	C22 H30 O8 N4	479.21365	479.21448	0.09381274	479.21368	7402	4750	5678	4836	1683	2769	5640	7432	1448	2698	2511	1401	1558	0	5715	5918	3832	2540	2855	3620	3812	5017	6305	8015	7088	0	3078	11497	5316	4895	6830	6877	8283	6662	4338	7600	11406	3161	0	5434	1806	2437	0	0	0	2958	2928	0	6996	4556	7346	3972	1648	0	1331	732	0	9576	4448	2292	0	2184	0	1502	0	2555	3073	6783	0	0	0	5975	7157	5293	4682	4506	0	4008	3694	15933	3435	1465	3801	0	1272	1554	5055	3012	2576	6442	71876	22110	14680	5319	3909	0	4136	5762	0	0	1132	7252	3734	4673	0	7316	1319	0	5247	0	Peptide	0.36363637	1.3636364	0.18181819
6	C22 H30 O8 N4	479.21365	479.21445	-0.014239692	479.21362	9851	6081	9055	7559	2455	2070	3747	8180	1578	3366	4154	4304	2300	1474	6753	10168	5425	3611	4097	4446	2919	8629	5759	8251	5520	0	3280	16437	6440	6779	5458	5688	8105	6698	4746	5209	7004	4696	6599	5033	2855	2394	0	0	0	6145	2902	0	9091	6137	6651	7153	2596	0	3111	1286	2178	7840	2808	3614	6314	1893	2104	2179	849	1668	3672	5814	0	0	0	5020	5314	5275	2153	3893	0	3874	4857	66183	3801	2214	4245	1783	1509	2540	4635	3174	2730	12795	143920	57404	16263	12173	6851	0	7447	5815	1556	976	1253	6737	3616	6427	0	9249	1695	0	5419	3176	Peptide	0.36363637	1.3636364	0.18181819
20	C25 H34 O9	479.22757	479.22815	-0.021027459	479.22754	612255	625269	609891	566347	471042	378993	378978	686353	567014	1103739	533647	372082	654759	315581	611539	593015	351776	599714	765111	1138907	998872	587359	536299	681599	515889	739799	339408	552888	629883	572358	568570	597727	731417	495801	1303690	574907	735512	467540	387542	695439	431535	360851	11830	2011	516	531730	338568	1564	618322	533833	592342	650937	428024	2020	766758	468118	316367	619104	584756	265862	581222	411773	648399	576771	267859	524372	383485	378140	544215	1198795	825905	587964	564496	624569	402509	577219	441	464343	572948	293680	484065	298107	466873	495969	500180	344298	548948	331229	406152	412048	637626	695396	782286	333514	452387	3103	614607	620273	385778	432499	406334	650482	394580	675623	327664	568820	398836	1383	421726	688017	Lipid	0.36	1.36	0.0
24	C25 H34 O9	479.22757	479.22812	-0.03669889	479.22754	209883	190544	201650	200484	174717	153567	92906	204626	208951	469696	169303	96633	297122	103894	183156	166721	83233	267399	301965	424760	353291	219048	163220	201010	171378	198227	81193	153686	192068	160063	174848	186335	221222	154827	558933	186526	305205	135941	87202	243181	116467	100975	3067	0	0	208136	104703	0	193244	154910	194949	180136	147907	0	321914	166473	89013	205602	208700	60465	181587	144644	262617	202743	70317	193380	134968	87279	172446	490717	260884	199468	162516	187408	99441	146349	0	147759	177199	71800	156123	98034	136346	127088	163847	107456	149668	93369	141683	97731	217737	248058	277228	100174	196925	0	195783	191065	117069	130482	137249	175939	107537	214719	107750	168163	112799	0	117151	297259	Lipid	0.36	1.36	0.0
28	C25 H34 O9	479.22757	479.22815	-0.05013025	479.22754	14047	10559	11184	11703	13126	8241	6097	13034	14028	28071	12104	6292	18874	6974	8661	13310	7578	14426	20100	30093	26662	9121	9030	14157	10020	19559	7448	14776	13252	8997	10280	12087	15640	10162	32801	11068	14930	7350	7872	12509	9710	7331	0	0	0	8137	4315	0	13458	10345	11897	10225	7111	0	16265	12143	6012	15415	7375	4062	13848	8231	14595	10652	5523	16087	12724	7542	17566	40360	32038	11802	8744	8922	6300	8601	0	8277	14691	5393	9257	4764	9743	9712	12033	7190	13900	7612	8581	12541	15227	15660	15267	5881	7108	0	10763	11537	7902	8585	10909	15138	7882	11625	5455	13076	7808	0	5895	17168	Lipid	0.36	1.36	0.0
22	C25 H34 O9	479.22757	479.22815	-0.008618633	479.22757	536825	539202	477731	526848	413307	371630	279944	588344	528607	1201748	453958	268782	540910	295169	482092	427655	225572	662997	648797	1117921	923923	551100	439028	564190	494257	545794	224949	488950	597073	472912	525758	579088	598021	440566	1385539	532614	721557	411677	253609	618833	280040	284742	10550	0	892	503535	254561	0	521693	461887	523899	518989	373819	1724	754515	408479	261887	532644	554454	183401	501328	405464	604652	525250	211128	458532	368222	244395	444214	1225645	602448	518017	417271	510446	236685	487441	623	432733	446082	199009	398368	261324	369961	329295	394109	293805	407972	246159	349604	264480	579445	666574	641591	270753	464960	3134	487389	512569	319732	332156	323362	544779	324324	575743	288470	451840	324996	0	335844	722672	Lipid	0.36	1.36	0.0
12	C25 H34 O9	479.22757	479.22824	-0.044738073	479.22754	23725	22241	25228	32587	8573	7137	25892	26394	10899	16084	12597	17657	6071	5775	17305	33072	27771	7862	15511	22740	18991	18200	19171	32643	12550	16060	22343	13105	20330	28179	24040	27338	19530	12547	14114	24679	21505	19622	40152	15517	24893	11013	288	0	0	19226	21722	0	22060	32511	20476	20819	9902	0	14380	12468	11376	31381	22211	14745	24953	6911	12338	11549	6661	6472	9793	38101	0	15099	20320	12314	17537	29210	40265	23278	0	17638	31566	0	19335	13605	20942	11410	15078	8389	21210	6557	9511	40229	19803	20275	25047	8789	17475	0	31617	25760	10673	13839	17182	27852	12762	31939	0	21504	12785	0	26434	10368	Lipid	0.36	1.36	0.0
18	C24 H34 O8 N2	479.2388	479.2394	-0.007763331	479.2388	19251	17248	16003	15361	4591	7417	12391	21578	2909	8078	5852	10219	2495	5422	14045	21927	15547	9965	10094	14896	7113	23096	14017	31293	17734	6103	10368	8749	21854	21723	24698	22445	24302	20293	9971	25668	30750	15526	14170	12639	5834	12199	0	0	0	12087	8892	0	22552	15684	11571	13186	11726	0	11484	3326	6510	33530	26299	8311	26319	10097	5437	5998	4573	12797	9941	16303	0	9605	2752	19011	16598	18024	11001	22746	0	14621	12444	7798	9631	9495	16348	11320	3431	5059	16239	11980	12402	17520	35476	42018	47092	10872	11668	0	19870	15981	5807	3567	3808	27234	13589	25906	7204	20622	4354	0	12233	5849	Lipid	0.33333334	1.4166666	0.083333336
8	C24 H34 O8 N2	479.2388	479.23953	0.016969906	479.2388	12048	12417	12109	11183	4047	4266	5502	13736	4607	14781	4605	4997	5884	1172	9722	15434	4837	3027	10304	18044	15986	14836	7820	16097	11066	2708	5855	6382	10739	11227	10455	10772	14998	10042	18532	12773	11156	8203	8175	12609	8292	5769	0	0	0	13694	5332	0	15369	11460	9538	9773	5057	0	6263	2901	2698	14640	1283	1679	10409	5072	2491	4012	1761	4370	5738	8683	0	8998	4397	11339	8955	8662	5475	8906	0	7372	7937	7737	7482	2610	4225	9898	1676	0	6134	5631	6050	16462	20395	21293	24233	10315	15940	0	13663	8318	2092	2799	0	9845	5137	12766	0	11748	1913	0	8303	4837	Lipid	0.33333334	1.4166666	0.083333336
12	C24 H34 O8 N2	479.2388	479.23956	0.04937324	479.23883	10960	12548	8939	8670	4096	6279	8838	15291	4043	13134	5443	9848	4667	3122	11600	9819	12465	2473	7872	15139	11834	13409	9518	10557	13902	1813	4500	8388	15404	9471	14365	10914	17714	12090	13866	12103	16180	7878	11075	10464	6347	8360	0	0	0	12972	8690	0	15654	7989	11497	8484	3560	0	9976	1593	3920	14243	0	0	0	7103	3563	4159	2137	5284	4511	12312	0	10027	3804	10191	15514	12537	7577	10611	0	8155	9745	0	8716	4289	7946	5175	1794	3365	13153	5474	5944	14925	24426	20991	29600	7334	11878	0	10329	11324	2996	0	1634	12488	9867	11715	0	17368	3581	0	12480	6726	Lipid	0.33333334	1.4166666	0.083333336
14	C24 H34 O8 N2	479.2388	479.23938	-0.02390406	479.23877	12906	16453	11361	10351	3133	7285	9440	19156	7546	7577	5967	6545	5108	3365	10925	20042	11292	5346	7263	12820	13798	15575	8568	19826	16249	1984	12543	0	20437	13579	12869	18123	23149	15921	10681	17207	18577	10388	13523	16136	6196	6651	0	0	0	11417	10372	0	13859	11184	7346	10316	6803	0	5540	2303	3533	14445	9418	5457	0	10599	2869	5046	4285	3588	5666	14980	0	9979	5044	13598	11615	14440	13168	13633	0	11008	14430	0	8178	7035	7496	4849	3169	2622	12069	4817	7792	22308	22383	21021	32741	7829	10373	0	9994	10347	2786	2460	1741	15896	7581	15286	0	14863	3805	0	11765	3302	Lipid	0.33333334	1.4166666	0.083333336
16	C24 H34 O8 N2	479.2388	479.23947	-0.03388651	479.23877	13892	13556	10051	13185	4171	3382	16004	20670	5126	14154	6864	7414	2589	3959	15755	22237	16116	8045	13220	18563	9769	20463	13621	21422	19655	3002	12207	7315	19486	14868	21773	22923	24599	17046	20564	22906	31268	13170	12285	17196	10045	7358	0	0	0	13747	8756	0	19181	17378	14032	13750	7262	0	5780	6069	8055	21260	11873	8930	19229	10351	7022	5564	3059	5952	10108	12774	0	9249	4949	17545	19828	12163	15768	19578	0	14337	12718	12326	11719	8250	15605	9622	2546	4476	14176	9281	9508	28797	30553	29037	38011	9296	15369	0	13099	15997	3096	3565	5555	31505	8963	16658	7304	16974	5139	0	16496	3938	Lipid	0.33333334	1.4166666	0.083333336
18	C29 H34 O6	479.24283	479.2434	-0.087452695	479.24277	12530	13155	10855	14463	9878	2265	13101	10745	6269	4419	7932	11469	5071	2967	10347	16448	20184	4072	13262	8520	10586	7255	9588	16972	9035	11467	14988	5449	7349	6670	13516	13594	10135	0	7079	11044	10160	14376	26220	8208	10967	4707	0	0	0	6812	5965	0	11481	17661	8946	11978	8622	0	9316	8364	8834	11373	8213	14625	15026	2499	6068	6506	6722	6059	5906	31252	9903	10816	20431	5383	6482	10851	20456	10925	0	9622	21712	9234	15085	8226	11530	5924	15147	6476	20867	2579	4082	35048	10290	7509	16342	6476	3605	0	10865	7418	8451	16500	15041	15684	9529	8619	4315	12089	9075	0	20093	2526	Phytochemical	0.20689656	1.1724138	0.0
28	C29 H34 O6	479.24283	479.24338	-0.074744835	479.24277	13139	11518	11786	9807	13826	6170	5708	10764	12289	7243	15361	6423	19857	6993	6745	11289	9861	8862	15010	15068	12737	8445	7575	13549	11266	44833	7079	17084	9365	11298	11343	9830	12706	6414	13394	10605	13677	8254	9225	11964	16594	8604	0	0	0	7124	6661	0	8182	10546	12310	10516	11203	0	12954	20347	7218	12257	7050	4371	13198	8583	9480	10801	5418	15548	11704	10097	39344	27481	43590	5984	6249	7153	3169	9035	0	6920	14685	7962	11509	5782	7052	13224	18465	8216	16516	6624	7253	11301	8876	10228	13380	7938	4586	0	10703	11636	10605	30651	26910	11479	5914	13835	6006	10516	13117	0	7867	10049	Phytochemical	0.20689656	1.1724138	0.0
6	C23 H34 O7 N4	479.25003	479.25073	0.05322724	479.25006	1305	2070	738	739	638	2079	1207	1589	0	0	0	556	0	0	0	1939	0	0	0	0	0	0	1055	2233	1388	0	612	12171	1745	651	1550	0	1892	997	0	1107	845	0	0	0	0	0	0	0	0	0	0	0	0	809	2646	1692	0	0	0	0	0	1376	0	0	0	0	0	0	0	0	0	0	0	0	0	656	903	1040	0	738	0	0	478	71769	609	482	397	0	0	0	925	0	0	4061	73715	19961	4537	6370	0	0	0	2534	464	0	0	1168	497	0	0	2116	0	0	1076	0	Peptide	0.3043478	1.4782609	0.17391305
12	C23 H34 O7 N4	479.25003	479.2507	0.19859122	479.25012	6286	6819	12574	8747	0	8300	0	0	0	0	8067	0	0	0	0	1425	0	0	0	0	0	0	0	0	0	0	0	111536	1347	0	0	0	2674	0	0	1753	2087	0	0	0	0	941	0	0	0	0	0	0	0	0	13445	7658	934	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1382	0	0	1532	0	353772	0	0	1755	0	0	0	0	0	1149	0	1166116	433264	0	48388	3306	0	8374	12545	0	0	0	0	1608	0	0	0	0	0	0	0	Peptide	0.3043478	1.4782609	0.17391305
8	C23 H34 O7 N4	479.25003	479.25076	0.08602311	479.25006	4750	5976	4291	5451	0	5875	851	2188	0	0	2377	930	0	0	969	1750	0	0	827	0	0	1566	0	1064	1687	413	671	45006	1835	1037	1639	2080	2725	1117	1678	0	3606	1153	1155	0	0	1135	0	0	0	0	0	0	1422	0	6084	5306	0	0	0	0	0	3168	0	1354	0	0	874	739	0	0	0	1595	0	0	0	0	1000	856	892	1580	0	812	1017	257192	935	0	976	0	0	0	0	1226	768	2028	346166	138941	2522	22385	3287	0	7470	4635	0	0	0	0	950	0	0	949	0	0	661	0	Peptide	0.3043478	1.4782609	0.17391305
10	C23 H34 O7 N4	479.25003	479.25073	0.1427127	479.2501	6283	6687	9515	11584	0	10529	0	0	0	2658	3879	0	0	0	1129	1841	0	1201	0	0	0	0	0	1662	1371	0	0	73820	1631	0	1790	0	1678	1798	0	1129	0	897	0	0	0	1940	0	0	0	0	0	0	0	1172	8351	10169	0	0	1086	0	0	0	0	0	0	0	0	0	0	0	0	1544	0	0	0	1736	0	1543	0	0	0	0	0	376692	0	0	0	0	0	0	0	1430	972	1885	1123037	335906	2985	43796	4782	0	12316	9371	0	0	0	1874	0	0	0	1154	0	0	1105	0	Peptide	0.3043478	1.4782609	0.17391305
16	C26 H38 O8	479.26395	479.2646	-0.037140768	479.26392	22110	21824	23692	18650	7996	6671	26503	25165	14502	9202	9172	16955	9155	5426	16993	27209	37778	5719	11339	6996	7763	12589	15004	16939	14940	10852	42589	7001	16057	31063	23721	23714	22271	13051	10743	22787	18181	21804	44482	6766	7200	9194	0	0	0	8149	8850	0	23746	22738	16607	17112	10326	0	17814	19169	14889	31915	7402	16686	18347	4524	11983	12887	7403	12358	8941	49587	5976	8950	16410	14303	14374	30531	47097	26139	0	16037	27674	8474	18302	7431	20614	7307	23885	12303	34202	5610	14000	36357	16150	13082	0	5290	8922	0	18205	21655	8783	18175	24099	26673	13842	24136	5125	21186	14978	0	22410	5482	Lipid	0.30769232	1.4615384	0.0
20	C30 H38 O5	479.2792	479.27975	-0.11507539	479.27914	4480	10272	4536	8752	5280	2945	10345	4283	9955	0	2427	8772	7307	3574	8807	10871	20276	5471	7671	2596	0	2690	6592	7143	5575	5098	10030	6749	5816	9877	4778	6827	7616	1920	0	5371	5283	8722	24500	3062	7949	2669	0	0	0	2133	0	0	5631	5975	6280	7014	6476	0	5265	14034	8647	8756	5526	11744	2526	1921	5459	6184	6044	2363	3260	30485	2579	3621	8117	0	2533	6282	17722	4717	0	3556	22858	4666	11995	2630	8311	0	17963	10616	20495	4659	3680	31001	5941	4635	6015	4330	4274	0	6934	6171	5379	28334	29892	9214	4594	6028	1954	8042	17451	0	19170	3654	Phytochemical	0.16666667	1.2666667	0.0
14	C24 H38 O6 N4	479.2864	479.28714	0.10605605	479.28647	2565	0	0	0	0	1956	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25226	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1027	0	1527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	196221	0	0	0	0	0	0	0	0	0	0	329814	59757	0	12318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.5833334	0.16666667
16	C24 H38 O6 N4	479.2864	479.28665	-0.21995871	479.28632	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19315	0	0	0	0	0	0	0	0	0	0	125378	10261	0	1236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.5833334	0.16666667
8	C24 H38 O6 N4	479.2864	479.2868	0.10867639	479.28647	0	0	0	0	0	1247	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5637	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	63100	0	0	0	0	0	0	0	0	0	0	24563	8934	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.5833334	0.16666667
10	C24 H38 O6 N4	479.2864	479.28683	-0.113005236	479.28635	1860	1579	2086	2647	0	5028	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45127	0	0	0	0	1347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1402	2546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	256337	0	0	0	0	0	0	0	0	0	0	323241	117784	0	14483	0	0	2948	1577	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.5833334	0.16666667
12	C24 H38 O6 N4	479.2864	479.287	-0.02505128	479.2864	2549	2573	4563	2041	0	2754	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	107328	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2461	1699	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	496353	0	0	0	0	0	0	0	0	0	0	313879	115687	0	27009	1439	0	2173	3014	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.5833334	0.16666667
0	C34 H38 O2	479.29446	479.29526	-0.8209535	479.29407	0	0	0	0	0	0	0	0	0	2750	6366	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	70138	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	115347	0	0	0	0	0	0	0	0	0	0	5632	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.05882353	1.117647	0.0
20	C27 H42 O7	479.30032	479.30087	-0.13120762	479.30026	6066	8382	7656	11814	7547	4082	22266	9741	5129	0	1955	8378	4672	5648	9282	20300	32595	3941	7003	2288	0	2945	5650	4194	11060	3485	21197	2746	11351	10147	7648	13426	14157	6194	3645	16523	10180	10068	30370	0	1515	6156	0	0	0	2322	2441	0	10826	8042	6085	7941	7597	0	6411	11963	4966	11143	1899	6962	11591	0	3398	5858	7012	5535	8916	36381	1659	1861	2486	2979	6908	12107	24512	9837	0	5175	18266	2584	6616	2926	21518	0	11879	8804	22290	1675	4102	26784	5042	6066	9343	2619	0	0	8327	10399	5136	15130	22783	12568	7241	5486	2367	8175	11043	0	11662	3019	Lipid	0.25925925	1.5555556	0.0
24	C31 H42 O4	479.31558	479.31607	-0.085889675	479.31555	3165	5078	3857	4375	4431	1271	5703	4159	5439	0	1952	4514	0	4369	5565	7922	22017	2263	4583	0	0	2096	4273	5062	6375	2265	7332	1089	2270	5374	5782	3935	3973	908	0	6502	3929	6138	20903	1655	3037	2393	0	0	0	0	1866	0	4575	3669	5959	4150	4094	0	8564	8230	7040	7431	2976	5077	3680	1131	0	3128	5322	1808	2656	24331	1591	1589	3673	880	1278	5612	9175	5954	0	3572	10023	2032	5408	991	4053	2252	15196	8344	16111	4523	2792	21732	2102	3213	4542	0	0	0	3738	6045	7016	16689	15547	7433	3496	2549	0	2900	9522	0	8801	1248	Lipid	0.12903225	1.3548387	0.0
28	C31 H42 O4	479.31558	479.31613	-0.06283262	479.31555	7613	4926	5542	4392	6176	1490	8471	6225	7789	0	5398	4634	3431	3549	7236	6352	14328	0	8762	2066	0	2400	6106	3729	12000	5722	11696	8786	9451	8700	5318	7380	18489	1833	2272	12440	7775	7453	12162	941	2576	4160	0	0	0	0	0	0	3715	4937	5967	6754	5931	0	11016	8930	4048	8576	5915	2061	4909	1499	4161	6689	3568	4231	4201	15345	3806	0	1383	1046	4268	10869	5015	7799	0	5128	12379	5156	4988	2857	8552	3468	17092	7725	21974	2990	4071	9568	4313	4718	6631	2867	0	0	4635	5058	8629	24843	27594	20678	5049	4262	2627	6899	16162	0	8689	2189	Lipid	0.12903225	1.3548387	0.0
12	C26 H47 O4 S1 Na1	479.31656	479.3176	0.34424618	479.3167	42128	31472	35564	34506	0	0	84248	36390	0	16306	79738	12746	0	0	5121	10168	49764	0	0	56877	4058	135800	9584	56774	0	0	5954	385506	6254	2940	2008	5996	3378	4924	3298	3700	6252	11809	16176	24622	138119	4434	8994	0	0	50448	152906	0	3014	24679	40587	35752	0	1628	2910	0	3046	47036	96104	313594	672941	62401	7762	2270	0	0	0	8128	875381	28735	34920	9390	0	2614	0	2332	0	3436	3400	880502	0	0	0	0	0	0	0	0	0	75464	48250	42641	9756	79922	11562	0	35480	60525	46181	0	0	35520	4420	47460	238104	0	0	0	0	4516	Organosulfur	0.15384616	1.8076923	0.0
28	C28 H46 O6	479.33673	479.33722	-0.118587375	479.33667	5176	6234	5887	5958	2994	863	69869	7463	2141	0	6201	2673	0	9090	4400	17506	38305	0	3079	0	0	2078	0	3820	12159	4665	44571	10089	7995	11271	5199	5505	21392	5568	1117	10323	17302	7223	46856	0	2383	4474	0	0	0	4191	0	0	7627	6856	7495	5397	2396	0	4208	2730	4211	16169	24815	3398	18597	10446	2311	2252	6802	4768	7420	42819	0	0	2123	3865	2970	8139	3883	7628	0	2772	4759	7602	1643	3690	6647	5037	6946	4780	14394	954	2129	5559	10197	8022	8272	3925	0	0	7438	7939	2306	4484	11759	25441	3460	5464	18449	10152	3648	0	6410	1276	Lipid	0.21428572	1.6428572	0.0
24	C28 H46 O6	479.33673	479.33722	-0.003535406	479.3367	6891	7028	5609	6597	4153	2363	49056	5457	0	0	1688	3852	0	9968	3961	18106	30340	0	1524	0	1395	1300	2532	1159	5244	2630	39503	4109	7860	9805	5897	12642	13471	7342	0	14450	10061	5556	32430	0	1625	2975	0	0	0	1220	2998	0	10872	4650	6177	5790	1925	0	0	2155	4582	18296	0	3725	13371	0	2212	0	12339	3887	11949	38653	0	1696	3457	4708	5195	11221	19164	9186	0	3167	4948	3381	3578	2703	10718	11362	2899	5791	8731	2752	4304	17837	5588	4825	9045	0	0	0	4577	6167	2317	3058	5520	12083	2106	3673	0	11651	5300	0	5438	1385	Lipid	0.21428572	1.6428572	0.0
26	C28 H46 O6	479.33673	479.33722	-0.14781187	479.33664	20299	25722	25953	18424	3307	5386	156757	25160	4143	0	9004	6691	0	27180	23102	88559	202626	0	8608	0	0	3796	9434	7567	21365	10630	131853	20542	32120	26211	16486	45614	40725	36086	3092	44118	50086	26480	187338	2763	5474	20621	0	0	0	0	0	0	35037	15323	25352	20304	6631	0	4284	7519	9759	76982	15238	9494	82756	9210	8531	3749	25202	9484	23610	167163	0	4203	7099	10119	14032	33090	70927	25094	0	7947	7583	16111	4233	8684	26311	28310	8952	11226	32531	14005	11737	53342	17199	14014	15727	4826	0	0	23879	24383	6364	10364	14713	65085	7161	9586	26031	93514	10139	0	26261	0	Lipid	0.21428572	1.6428572	0.0
22	C28 H46 O6	479.33673	479.33716	-0.17409916	479.33664	3179	2596	2314	2435	0	1264	3957	0	0	0	0	0	0	0	0	3790	125724	0	0	0	0	0	0	0	1481	0	4327	0	1507	0	0	0	1544	1975	0	0	1814	1200	130270	0	0	1457	0	0	0	0	0	0	0	1306	1962	2902	0	0	0	0	1000	1730	0	0	0	0	0	0	3325	0	1715	163372	0	0	0	0	0	2170	4683	1825	0	0	0	0	0	0	1060	1227	0	3308	2253	0	0	23849	0	0	0	0	0	0	2669	3707	0	0	1921	2612	0	0	0	1440	1059	0	1357	0	Lipid	0.21428572	1.6428572	0.0
26	C29 H50 O5	479.3731	479.37265	-0.07269393	479.37308	0	0	0	0	0	0	29038	0	0	0	0	0	0	5482	0	0	0	0	0	0	0	0	0	0	0	0	28785	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3624	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2484	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1724138	1.7241379	0.0
28	C29 H50 O5	479.3731	479.37338	-0.03787383	479.37308	906	835	0	0	0	0	27589	8054	0	0	2085	0	0	2247	0	6723	0	0	0	0	0	0	0	0	0	2648	18536	2705	0	2140	4508	0	0	0	0	2520	0	1099	1194	0	0	0	0	0	0	0	0	0	1014	0	0	0	0	0	0	0	0	2085	0	1278	1847	0	0	0	3514	0	0	1193	2376	0	0	2332	0	0	0	0	0	0	0	2878	0	1270	1318	1855	0	0	1190	0	0	0	1056	1192	0	0	0	0	1520	0	1056	0	0	0	0	0	2187	0	0	0	0	0	Lipid	0.1724138	1.7241379	0.0
22	C20 H17 O13 N1	480.07727	480.07797	0.07845283	480.0773	10032	4150	8016	7792	15632	12286	0	0	16810	0	0	0	38338	0	0	0	0	18436	16542	4106	14434	26320	8334	0	0	0	0	0	0	0	0	0	0	0	3268	0	0	0	0	4082	6258	2822	0	0	0	12080	52770	0	0	0	6772	3264	12442	0	29648	17796	6258	0	0	4310	0	12172	28992	22658	5018	15384	0	0	0	0	0	0	0	0	0	0	1276	0	2836	15704	6616	15926	0	0	30380	9852	4728	6126	4750	0	0	0	3352	22122	13578	0	7922	12148	13150	17346	27870	0	0	0	33392	3926	12526	0	0	28308	Phytochemical	0.65	0.85	0.05
12	C20 H17 O13 N1	480.07727	480.07812	0.12924597	480.07733	0	0	0	1422	8320	0	0	0	7782	1956	1884	0	10949	3158	0	0	0	5145	6163	1415	6518	9466	0	0	0	0	0	0	0	0	0	0	0	0	2588	0	0	0	0	2697	0	1296	0	0	0	3433	15695	0	0	0	0	0	3377	0	9950	9045	1593	0	0	0	0	3288	23596	9938	2209	8545	2255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5028	0	0	9460	1139	1454	3038	0	0	0	0	0	16183	3555	0	1834	0	4349	10298	9272	0	0	0	0	0	6373	0	0	19965	Phytochemical	0.65	0.85	0.05
28	C20 H17 O13 N1	480.07727	480.07785	0.022648323	480.07727	4881	3962	5739	4843	7826	5093	859	0	8310	4614	2723	0	22145	2130	0	0	0	13284	10325	3572	6017	8687	3216	0	0	0	0	0	0	0	1135	0	928	0	6007	0	1525	0	0	2791	3283	0	0	0	0	4709	24492	0	0	0	4607	3810	6210	0	12617	7924	2129	0	0	0	0	4422	20896	10077	2116	11699	2180	947	0	0	2373	0	0	0	0	0	0	1195	3908	5938	3556	5155	0	0	12713	3864	0	1367	2464	1823	0	1459	0	9514	5423	0	3987	5969	6237	6678	9332	0	0	0	12806	0	7549	0	958	21502	Phytochemical	0.65	0.85	0.05
26	C20 H17 O13 N1	480.07727	480.07806	0.064878516	480.0773	2972	4488	2564	0	9459	4482	0	0	8030	3210	0	0	23495	2044	0	0	0	9627	11724	0	0	6392	0	0	0	0	0	0	0	0	0	0	0	0	3103	0	0	0	0	0	3039	0	0	0	0	6577	18369	0	0	0	3232	2929	6275	0	14068	9196	0	0	0	0	0	0	16939	9222	0	9417	2668	0	0	0	2838	0	0	0	0	0	0	0	3544	0	0	4823	0	0	14804	0	0	0	0	0	0	0	0	12025	8217	0	3245	0	5496	7968	5705	0	0	0	11901	0	0	0	0	26083	Phytochemical	0.65	0.85	0.05
20	C20 H17 O13 N1	480.07727	480.078	0.14273416	480.07733	5384	3965	4477	0	13165	2375	0	0	11922	0	1830	1711	39016	2392	3077	1826	0	18441	15492	0	9096	18327	1735	0	0	0	0	0	0	0	0	0	0	0	4316	0	0	0	1414	3341	6506	2259	463	0	0	5883	28832	831	0	0	2711	5919	2705	0	13004	18174	4476	0	1417	2074	0	6879	25138	13409	3610	13966	3500	0	1625	0	2096	0	0	0	0	0	0	1143	3420	12021	1988	8561	0	0	23344	6441	1450	3584	4247	2948	0	0	2269	26347	5205	0	3430	4858	9321	15874	18930	0	1798	0	22207	1867	13428	0	1197	26682	Phytochemical	0.65	0.85	0.05
16	C20 H17 O13 N1	480.07727	480.0781	0.091262	480.0773	7738	4898	7544	7427	15183	4186	0	0	17619	3188	7090	1246	31740	2806	0	0	1477	18416	16875	2425	16131	22815	3086	1832	0	0	0	0	0	0	0	0	2186	0	7729	0	1645	1438	0	3742	15401	4784	454	0	0	6308	30833	0	0	0	3439	3896	9128	0	15878	22752	7217	0	0	1597	0	6305	40761	20438	5918	23023	5335	0	0	0	0	0	0	0	0	0	0	0	1581	21922	4356	12797	0	0	21118	6520	2083	6442	4720	0	0	0	0	32772	13346	0	6162	9472	13139	20244	19591	1716	0	0	20357	0	21323	0	0	35504	Phytochemical	0.65	0.85	0.05
14	C20 H17 O13 N1	480.07727	480.07816	0.1638662	480.07733	4195	3957	3579	3890	14564	3266	0	0	21173	3424	6269	1123	19367	2440	1315	0	0	8785	12012	3439	12521	15521	2951	0	0	0	0	0	0	0	0	0	0	0	6123	0	0	1074	0	2569	9857	2687	0	0	0	4108	35044	0	0	0	1632	5147	6188	0	16669	13537	4228	0	0	0	0	6754	39228	18891	4343	16680	3080	0	0	0	1404	0	0	0	0	0	0	0	1609	0	2102	6277	0	0	22032	6217	2204	0	2390	0	0	0	0	32772	9508	0	2483	3015	11782	19871	20637	0	1529	0	16558	0	12461	0	0	26141	Phytochemical	0.65	0.85	0.05
18	C20 H17 O13 N1	480.07727	480.078	0.085980445	480.0773	5205	6888	4735	6068	18530	4588	0	0	15662	0	4786	1600	35204	5252	0	0	1555	18354	15855	2412	11368	21880	4027	0	0	0	0	0	0	0	0	0	2438	0	4964	0	2012	1558	0	2693	8770	5844	460	0	0	8729	34510	0	1695	0	3534	4266	11132	0	22174	26318	5276	1877	1381	3207	0	7261	31129	20702	6401	15492	2963	1805	2130	0	0	0	0	0	0	0	268	0	3396	21528	4205	14088	0	0	29679	4860	2892	3700	4822	1757	0	2902	0	33849	13677	0	5083	6467	16998	17522	24157	3337	1182	0	20112	0	15795	0	0	31739	Phytochemical	0.65	0.85	0.05
18	C21 H21 O12 N1	480.11365	480.1143	0.024143208	480.11368	49208	46790	45843	47499	56453	44602	12750	19163	60703	76563	40666	21820	133688	23787	22344	24606	18106	100840	79609	80920	94103	120948	33055	21742	9416	16941	11486	15297	19606	15907	20406	18675	24031	10946	100778	13849	26777	22375	14707	63341	64885	40658	2405	0	0	139440	173009	617	17865	19723	44941	45296	37048	0	98332	68898	28535	19322	20750	14810	19091	65823	114255	71704	26267	63355	35469	16211	35484	23262	27921	15764	14051	10362	23624	10093	681	19167	36910	91452	19747	108535	7652	26200	82779	47673	22539	22612	31166	10966	14958	37210	37705	113836	128828	0	46545	49497	53157	47859	57486	22423	15514	21879	133103	18849	58600	0	18620	109402	Phytochemical	0.5714286	1.0	0.04761905
16	C21 H21 O12 N1	480.11365	480.11435	0.053924505	480.11368	63835	59755	60084	60919	78101	45373	15851	21575	88784	115676	66098	19146	144405	28285	33448	27484	24031	113627	115421	106435	147325	162773	45213	32117	14141	19036	19450	22319	18541	17728	14471	18493	32962	20125	157633	20331	27132	21878	19396	87056	102620	41720	2406	0	375	135486	229942	772	17045	21810	58704	50685	57775	247	104697	70518	35767	23117	29718	20862	24273	78210	127965	85719	29827	89499	41262	16204	56989	28503	54134	18518	13818	16826	16329	15103	487	21355	36952	130427	32368	135804	12404	30165	90061	43074	37322	33646	34851	33606	24441	44403	55604	144583	162594	767	60683	62108	68027	61462	67358	34682	17452	32888	150266	22904	71528	0	15242	119200	Phytochemical	0.5714286	1.0	0.04761905
24	C21 H21 O12 N1	480.11365	480.1143	0.08839828	480.1137	7368	5039	6479	3601	10889	5640	0	0	11588	16589	3122	1229	25139	3405	1932	1602	0	19551	12438	9526	11929	17003	6288	2229	1920	0	0	0	0	0	0	0	1158	0	15218	0	1152	1942	1829	9187	10599	0	0	0	0	31077	49523	0	0	1724	6400	5645	6417	0	19799	14534	3190	2013	1169	2017	1377	10293	22703	11440	3142	11866	1473	0	6497	8068	5136	0	1142	0	1509	1238	0	1646	3160	10080	3527	23672	2040	3152	16050	5275	2524	1339	3394	0	0	2078	4162	15041	22105	0	6828	5908	7752	6449	7916	0	1404	2362	28770	0	9687	0	1251	21124	Phytochemical	0.5714286	1.0	0.04761905
22	C21 H21 O12 N1	480.11365	480.1143	0.05743018	480.11368	16804	11580	14567	12035	23745	13492	3948	4674	20593	20675	8163	2641	35972	7495	5402	2866	2324	25547	17696	17463	20209	29302	10498	5779	3211	4374	1545	5793	3474	1701	2376	0	4007	0	21067	2420	6440	5119	0	19206	17660	6044	0	0	0	52985	80218	0	4703	4179	12663	11631	10417	422	30063	20758	9060	2426	3409	4478	4526	18350	36818	24283	9212	14741	9129	0	10052	11708	13064	3963	1673	0	1194	1292	861	3359	8421	21978	6838	41874	1922	5295	25911	13433	7894	5457	6263	2814	3034	3206	5097	33368	42485	0	11904	13005	15194	19127	14387	2588	3817	2586	56464	4778	17533	0	2771	37651	Phytochemical	0.5714286	1.0	0.04761905
12	C21 H21 O12 N1	480.11365	480.1144	0.07743007	480.11368	218523	271151	179102	257489	185064	128641	38323	101018	325365	455467	275481	106174	319544	75834	104248	95877	124317	248824	268288	349770	430652	570816	168545	117118	40360	100874	72377	64248	85486	37043	44211	75854	86530	73112	701850	75938	112946	110485	121196	288749	435992	109707	1394	0	0	420423	914846	0	69305	67000	212824	102535	154544	0	337486	223379	97861	44573	29626	90195	0	257960	447984	226553	93435	252415	116936	65466	116694	154634	284202	74649	70756	74009	87726	86978	0	96257	157277	138004	121436	366340	60145	107601	256660	123250	162726	118091	99821	208673	19190	116069	119717	479577	329298	0	215563	242692	265120	207878	236294	144425	53209	36030	340070	121143	203182	0	66454	398667	Phytochemical	0.5714286	1.0	0.04761905
10	C21 H21 O12 N1	480.11365	480.1144	0.053875737	480.11368	22934	22130	20567	24272	26653	15999	8651	10613	34447	48597	50147	13989	53763	9146	10451	12435	11103	27168	30717	41552	63433	55966	17169	15609	2679	7205	10096	11019	4531	8741	9574	8459	9770	7175	69326	4863	15718	9518	16036	36706	61577	12951	0	0	0	41082	100541	0	10893	9434	21700	22657	16147	0	40899	32939	13936	9392	10528	16344	8959	27071	70473	36698	11623	34399	15522	16931	24140	11962	23768	9903	7462	5833	10859	7097	0	9096	17268	31084	14945	34314	6476	6984	31742	17016	10752	16266	11554	16467	3609	9021	15283	61106	56497	0	30698	25877	29591	32691	32602	11544	8639	12621	48602	8944	28673	0	5534	51186	Phytochemical	0.5714286	1.0	0.04761905
20	C21 H21 O12 N1	480.11365	480.1143	0.03964144	480.11368	44140	49612	50478	42882	75052	54830	11522	14160	82314	86452	37246	14826	156654	35398	27751	11438	9576	103300	87146	97976	106586	139138	36669	20672	15444	16584	9210	16114	11878	13340	6554	5804	18255	16784	99744	9571	19410	16206	9114	75262	76650	28026	4940	0	0	161918	249162	1840	13424	13472	50512	52178	48374	648	120454	82800	35890	15078	18839	13670	12208	71386	124746	85846	32698	67452	38864	8456	44264	28628	37344	13632	11542	7204	14658	9814	986	12000	29348	82104	27988	137800	11404	45286	105688	60822	28914	21124	36826	14098	19190	23312	29660	138114	126038	0	62558	57006	57150	64310	80154	31388	13460	19118	208006	20410	76512	0	11384	142234	Phytochemical	0.5714286	1.0	0.04761905
14	C21 H21 O12 N1	480.11365	480.1144	0.060688525	480.11368	68714	65697	65551	58526	54971	35413	15200	21848	78218	126537	87988	22397	124225	22572	24721	29120	25912	82499	84364	107356	140790	186481	38899	38217	12821	17542	15563	33347	18512	19806	13942	19795	33342	14010	173730	16422	21550	21949	24245	83627	122651	35215	0	0	226	140044	257001	0	21760	21401	49581	60270	44517	0	107655	66119	31201	32630	31966	41535	24993	89695	135833	87750	28497	84287	36585	20754	61277	36446	56557	22488	18888	20444	19591	17570	240	22285	36878	146695	27276	112682	15031	27967	82429	44971	30980	36347	37488	38181	23750	31907	42937	158628	132785	0	58161	61883	65846	67669	71624	34705	16679	31256	185114	24509	58282	0	19243	111018	Phytochemical	0.5714286	1.0	0.04761905
28	C21 H21 O12 N1	480.11365	480.11423	0.06430649	480.11368	6229	5170	6202	3508	6069	5462	831	0	8032	17364	3346	1562	13708	1606	2330	0	0	10062	6828	14195	14820	12447	2737	2650	0	0	0	1669	0	0	0	0	1017	0	19760	0	2232	2366	1191	7367	7584	0	0	0	0	19405	32543	0	0	0	5095	5369	4701	0	11641	6033	1315	1185	1664	1378	0	8657	12831	7692	2245	7990	2125	0	8013	9487	11195	0	890	0	0	904	0	0	3348	7614	3089	15359	1161	3787	9792	3184	2602	2235	3268	1211	2258	2083	3130	10368	16813	0	4810	6000	4565	5217	5776	0	1562	0	20045	0	5465	0	0	13804	Phytochemical	0.5714286	1.0	0.04761905
26	C21 H21 O12 N1	480.11365	480.11432	-0.02572685	480.11365	5219	5138	5362	3748	5928	5234	0	0	7853	12759	2024	0	19800	4066	0	0	0	9180	6653	6953	14918	12499	0	0	0	0	0	0	0	0	0	0	0	0	11726	0	0	0	0	7594	6498	0	0	0	0	21983	31226	0	0	0	4988	6148	4353	0	13453	8133	0	0	0	0	0	8746	11501	10435	0	7495	0	0	6374	5716	7089	0	0	0	0	0	0	0	3117	5731	4304	15680	0	2389	9930	0	1831	0	2476	0	0	0	0	10341	20656	0	6147	0	4296	5549	0	0	0	0	18298	0	4722	0	0	18029	Phytochemical	0.5714286	1.0	0.04761905
10	C20 H21 O11 N3	480.12488	480.12567	0.08952438	480.12494	7400	6393	7960	8740	8460	4981	4331	6383	12055	6161	9594	7925	18283	2520	5475	6480	8539	14625	12005	7262	13512	15379	9379	7977	1002	0	4064	0	3287	4930	8122	4879	10125	5410	11502	6246	7818	8537	9710	12092	18817	5070	0	0	0	11168	22913	0	6353	4857	9720	10490	6206	0	16434	8678	5505	6105	5761	8459	0	7845	23008	15714	5755	14581	7928	14362	0	0	3873	6460	6392	5105	6733	3445	0	6253	10854	4978	6215	12205	2474	1949	14069	5053	6265	8628	7636	11026	4546	6720	17279	9455	10361	0	6449	9308	7099	9298	8368	10871	6828	5785	0	6451	6669	0	4974	20285	Peptide	0.55	1.05	0.15
12	C20 H21 O11 N3	480.12488	480.12558	0.06521527	480.1249	43251	61171	35256	51819	31958	24339	3731	23558	64943	91299	53181	24760	48450	14628	20668	19087	24529	43484	48232	64480	71230	98548	32653	24604	9256	27708	17537	0	20542	3217	3367	18202	10942	17196	143762	16780	21618	25497	22808	56915	62370	20025	0	0	0	77407	183470	0	14115	13498	42078	8509	28752	0	65616	43325	17475	6103	0	8919	0	46860	77884	37549	18137	48547	22344	6466	0	34382	61538	15567	13862	16201	18556	20784	0	21543	36059	0	26700	68066	10787	20577	46024	21884	38368	23753	16955	49467	2502	23083	18887	71769	50658	0	43267	43696	49458	38612	43328	25797	6893	0	22320	25191	38176	0	16362	75873	Peptide	0.55	1.05	0.15
8	C20 H21 O11 N3	480.12488	480.12573	0.10671328	480.12494	6173	7640	7944	6652	6372	2789	3113	4488	10882	8723	4638	5884	12791	1780	3320	6797	8046	7729	11422	5915	12913	17125	6243	5846	1677	0	2185	0	3621	3747	3643	5433	5974	3731	9548	5082	6099	4802	5685	10501	16612	4598	0	0	0	6751	22047	0	6028	4821	6195	8082	5534	0	11688	8298	4198	4736	2881	8325	8191	7738	25067	12576	4383	10585	5164	9098	0	0	3167	6304	3061	2755	4648	3549	0	4328	5263	2807	3402	6894	1843	2354	11171	4225	3940	7276	7578	11931	0	0	13295	10668	4005	0	8083	6609	4558	11127	9238	6085	4787	4663	0	7084	5298	0	3649	16601	Peptide	0.55	1.05	0.15
16	C25 H21 O9 N1	480.1289	480.12958	0.021876162	480.1289	2925	2184	1813	2697	2638	1698	0	0	3960	19256	14305	0	3759	3055	0	0	0	0	2258	15663	13448	7983	0	0	0	24484	0	8758	0	0	0	0	0	1577	28800	0	2208	0	1864	10476	14156	0	0	0	0	5047	9287	0	0	0	4313	4378	1382	0	2690	0	1077	0	0	0	0	6816	6749	1870	1079	4171	1671	2083	18370	32637	46456	0	0	0	0	0	0	0	2265	12364	0	6279	1359	6117	5037	1468	0	2695	1580	0	3570	3259	0	12212	17836	0	6095	3521	2812	3463	3063	0	0	0	0	0	1431	0	1995	2632	Phytochemical	0.36	0.84	0.04
14	C25 H21 O9 N1	480.1289	480.12985	0.057115957	480.12894	0	0	0	0	1572	0	0	0	1523	11383	7515	0	0	0	0	0	0	0	2024	5573	8968	0	1337	0	0	16710	0	0	0	0	0	0	0	0	18237	0	0	0	0	5904	8413	0	0	0	0	2078	6583	0	0	0	0	2460	0	0	0	1684	959	0	0	0	0	2910	1820	0	0	2604	0	0	0	16083	23336	0	0	0	0	0	0	0	1341	0	0	2391	1167	2845	1801	0	0	0	0	0	0	0	0	4543	6769	0	2448	0	1723	1786	1647	2196	0	0	0	0	2038	0	0	2274	Phytochemical	0.36	0.84	0.04
18	C25 H21 O9 N1	480.1289	480.12964	0.02283073	480.1289	6509	3900	4842	8029	4264	1957	0	0	4583	40050	26785	0	4438	2173	0	0	0	1810	6181	18410	22330	12419	0	1274	2064	33818	0	17448	0	0	0	0	2296	0	35613	0	0	2556	2156	14828	22823	2553	0	0	0	8379	22966	0	1766	1276	11358	0	4173	0	4542	4488	1048	1984	0	1066	0	12444	6476	4411	1610	6903	3456	1988	39967	41713	42685	0	1184	0	1263	0	0	0	4291	10475	1331	12454	2259	11862	3400	3581	2991	1884	1355	4669	0	4468	2373	15003	20626	0	5648	5536	5420	5358	4585	2362	0	1925	6880	3609	3680	0	0	5569	Phytochemical	0.36	0.84	0.04
20	C25 H21 O9 N1	480.1289	480.12946	-0.021812322	480.1289	6577	8408	6878	6772	6156	3370	0	0	8357	38301	26052	0	8677	3478	2804	0	1628	5852	4869	20250	20079	18298	2115	0	1403	32847	1294	20422	0	0	1832	0	2489	2310	49175	0	0	1021	2091	24852	25369	1879	432	0	0	13445	24670	0	0	0	5887	11275	3301	0	4320	5049	2199	3198	997	2566	0	14860	6013	5488	2006	8867	4057	1993	36724	35436	63654	1776	0	0	0	0	0	1097	3504	16435	3417	9331	2260	16319	10040	3089	4088	4312	4019	0	6807	5476	2133	24464	17220	0	7580	2938	7095	3350	2447	2020	0	0	12194	3072	3946	0	1468	9139	Phytochemical	0.36	0.84	0.04
22	C25 H21 O9 N1	480.1289	480.12955	0.039494455	480.12894	3168	8577	3732	7893	3148	3158	0	1346	8262	26214	21088	0	5231	0	1533	1504	0	3570	5699	9523	18424	11262	0	1902	2149	22383	0	12080	0	0	0	0	2342	0	25294	0	0	0	0	15934	22659	0	0	0	0	16364	26658	0	1234	0	6113	2922	2060	0	4430	3569	988	0	2441	1331	2919	10786	4689	4508	3016	3947	2505	1485	22333	33094	32602	0	0	0	0	0	0	1539	3348	12234	2517	14631	0	15451	4035	4163	4181	2316	1371	0	2086	6020	2582	22859	18875	0	3467	3439	3750	4139	3664	1696	1057	2858	12916	0	3044	0	1806	7888	Phytochemical	0.36	0.84	0.04
6	C22 H25 O11 N1	480.15002	480.1509	0.045388147	480.15005	10575	7366	11390	10040	6913	4430	3826	7315	11487	22549	12851	3828	16883	4254	4727	8645	8066	9644	12034	15376	25151	18096	6210	10115	2072	3366	5023	4629	5017	5371	5567	4091	7657	6202	32860	5489	5283	4516	12199	12386	20371	4433	0	0	0	11793	19124	0	5269	6200	9061	12025	5800	0	12968	9049	6089	8107	5092	6384	9751	11581	19508	11745	4093	13200	6061	9811	8945	7948	9693	7014	5753	5876	3951	4900	0	3560	6405	5571	6318	7299	2852	5242	10965	5068	6886	5287	4902	10277	0	7536	10200	15976	15205	0	9290	11132	6468	10976	10379	8025	5087	8603	6651	7716	5340	0	3883	17771	Phytochemical	0.5	1.1363636	0.045454547
26	C22 H25 O11 N1	480.15002	480.1506	-0.024922494	480.15002	7100	5771	5829	5683	9350	7503	0	0	10742	22478	3342	0	18193	0	0	0	0	15689	6263	17223	19905	9518	0	0	0	9489	0	2535	0	0	0	0	2009	2803	21081	0	1866	0	0	15927	8471	0	0	0	0	21986	31430	0	2065	0	7965	6081	2826	0	8249	7703	2790	1864	0	0	0	8875	14917	7991	0	6317	2385	0	10173	19792	18432	0	0	0	0	0	0	0	3687	0	3074	10714	0	6554	9515	0	2989	0	0	2412	1772	3053	0	8056	18102	0	7167	7561	5619	6348	4745	0	0	0	16068	0	7906	0	0	17651	Phytochemical	0.5	1.1363636	0.045454547
14	C22 H25 O11 N1	480.15002	480.15076	0.050923053	480.15005	170628	158180	149795	156586	97049	95207	81186	133628	135398	401901	202364	76334	178120	59918	106331	118820	83823	157327	163398	350320	374378	319661	116484	130393	88199	141747	72937	157528	108632	124984	106568	139904	144539	97225	548336	115344	122610	81544	83858	301887	235608	87352	3384	0	0	326011	358769	390	118146	119418	151399	141526	91455	272	185669	103901	59377	130239	202255	93817	149850	222826	184909	145306	62650	126973	96909	82267	223268	213485	189290	110444	107121	130240	85178	112778	0	89001	106290	167385	89302	200429	87610	147281	111152	85338	91800	84591	94685	100310	110184	147935	171870	208845	251527	602	170494	183953	101196	92471	91931	137866	83852	154156	301910	106589	93490	0	82798	174890	Phytochemical	0.5	1.1363636	0.045454547
18	C22 H25 O11 N1	480.15002	480.15067	0.003309175	480.15002	145533	128606	132189	116468	113775	96810	50516	104210	129442	361414	137712	46202	212229	68312	84048	76932	41452	194300	181755	303448	281184	224877	90627	91785	68556	152767	41655	89429	96587	72783	85276	79093	91461	68341	408190	72137	97120	68118	42467	219596	130943	59792	5238	298	521	324602	262820	525	74110	77529	115898	121082	85070	733	181800	112282	56459	83262	87449	42219	93276	172519	178185	119058	58547	123761	87656	50303	139209	176322	166030	84264	73905	78149	46073	73461	426	58126	84032	126163	70324	210361	50697	123101	121866	86758	70912	62976	72631	45257	85992	128426	134174	162634	252634	860	127497	141649	113637	82151	91158	86907	55458	105730	200547	77980	97848	635	54230	165497	Phytochemical	0.5	1.1363636	0.045454547
16	C22 H25 O11 N1	480.15002	480.15073	0.042328235	480.15005	165230	170470	163078	166065	131913	107405	75654	130553	162212	426505	179943	70562	249687	73167	114817	115681	72389	221156	215336	400483	362345	298583	124623	127216	99737	165809	65119	138096	118399	106804	106538	115782	123882	94466	537345	112669	142564	82081	68256	321605	199145	81531	5324	402	331	347459	327757	617	122170	108395	168322	159380	115193	641	206213	117224	71837	114591	136495	78637	144622	210347	216221	136737	63221	146695	89297	72038	188462	229341	184748	110950	97178	112754	74985	101467	372	83308	100240	193142	84825	249127	94609	177096	149129	94716	91522	76178	87275	101697	129210	163168	209229	200201	326275	1488	170579	179059	104029	92238	111931	128264	74495	149406	261982	111560	115449	466	77099	211807	Phytochemical	0.5	1.1363636	0.045454547
24	C22 H25 O11 N1	480.15002	480.15063	0.055974245	480.15005	12634	9928	9643	13754	17477	7278	2224	7379	15348	38110	10273	3536	30804	6298	6893	5598	4426	21033	17186	31535	28565	20177	9334	7796	4586	14215	0	5175	2917	3655	5466	2663	4251	4057	25721	5192	4980	4419	2560	17605	13625	4409	0	0	0	40239	55352	0	5893	5619	12074	10254	12134	0	18422	13570	5981	5469	3768	2223	3697	16613	25020	18091	4776	15835	5831	3351	18549	30408	22253	6216	2613	3458	1924	3074	0	3755	10570	11167	6596	28237	4473	13901	19252	10482	6278	5617	5927	2625	6013	7814	6312	13167	30578	0	11699	8634	11557	10442	9175	6757	3297	9604	34218	5649	12724	0	2003	27370	Phytochemical	0.5	1.1363636	0.045454547
20	C22 H25 O11 N1	480.15002	480.1506	-0.045149315	480.15002	71518	72312	64704	64995	73573	65906	27072	42235	90797	182381	68492	25751	129925	43284	47415	44314	23930	117343	102774	167024	171820	113614	52742	45796	40709	93040	20582	48172	42013	34366	32215	34032	48957	36945	181703	35024	48268	32849	19999	128935	77740	37955	3120	723	0	175984	180230	487	31885	34575	76249	74045	52888	787	101541	78826	38266	36145	45121	21145	46124	100552	106993	72379	30019	73535	43099	22588	85571	108462	89250	39977	36519	32239	23459	30000	636	37274	48207	77266	40354	122670	33995	75562	86123	52312	39361	33607	34446	23770	49143	62653	59709	83918	122544	827	79399	81674	70259	58461	69074	38943	27478	52115	143356	46505	70771	0	31666	124728	Phytochemical	0.5	1.1363636	0.045454547
12	C22 H25 O11 N1	480.15002	480.15076	0.0318426	480.15005	109158	113439	112801	113202	69378	50091	63806	106622	92933	264953	145648	64058	109211	33855	71174	89142	78992	112582	115929	246168	267194	225102	88907	99394	49469	82570	58120	94437	91931	82110	74489	72640	101019	73594	375870	78437	89952	64856	77027	201963	211645	57410	2292	0	0	215751	262879	0	78357	87754	113639	110562	60016	0	120291	60041	38684	85426	104745	87657	86355	162024	133117	90640	36361	91190	64339	79365	134710	125983	143792	80558	73266	82323	56986	73700	0	64891	68912	106786	66295	133544	65966	104260	78799	50009	72324	48304	56206	107003	62130	101583	113796	170543	163840	643	109489	125151	77350	56372	61712	102289	59505	110249	208314	82425	68915	0	55719	125074	Phytochemical	0.5	1.1363636	0.045454547
28	C22 H25 O11 N1	480.15002	480.15057	0.02188727	480.15005	8069	4281	7480	5352	4319	5318	1038	3435	6368	23159	3839	1234	9438	2269	2952	2670	0	7526	7222	19773	22633	7630	2849	3185	2794	11151	1385	4292	0	0	2032	1255	3190	2525	17381	0	2544	1108	1531	12498	7272	0	0	0	0	16447	20384	0	2376	0	5453	5004	4208	0	7145	5363	1965	4135	1633	1420	2803	9044	7580	4793	2044	6927	2929	1387	7932	18580	15919	3184	2205	0	0	1817	0	1988	4073	5750	3785	8762	1636	6942	6637	2534	3324	1487	1930	1466	2294	4207	4189	5412	10297	0	5989	5916	4648	3251	3357	2688	2273	3027	12189	1977	4601	0	2008	7628	Phytochemical	0.5	1.1363636	0.045454547
22	C22 H25 O11 N1	480.15002	480.15063	-0.018908951	480.15002	30599	30768	26648	29321	34236	29103	8748	15271	44344	92097	23507	12266	54575	17778	21995	16607	6145	59973	38689	62612	60785	50523	18659	21189	13481	48270	8321	16971	15113	12279	13965	9881	12546	14563	73332	12354	19744	15301	9285	53161	37504	12105	0	0	316	95558	101817	0	13147	16099	25591	29018	23420	522	49478	32481	18370	13541	15710	12167	16364	41314	49878	36548	13714	34541	17184	6361	42687	47199	49882	12987	10404	13933	9652	10905	395	15632	19950	32205	17481	58960	9355	30056	40627	24201	13455	13153	13316	10779	15637	18556	21689	42527	63472	0	27346	32522	27696	23531	29894	13790	7145	22711	71089	12859	33501	0	11463	58858	Phytochemical	0.5	1.1363636	0.045454547
18	C20 H25 O7 N5 S1	480.15475	480.1553	0.09175777	480.1548	3351	1642	3053	0	0	0	6019	13206	0	0	1612	3883	0	0	4827	16742	4823	2036	3784	4186	0	0	3754	5598	3473	0	9623	0	8912	7033	3771	5291	4312	0	0	6598	2914	1967	6555	3059	0	2382	0	0	0	3243	0	0	4278	8990	0	0	2516	0	0	0	2751	6110	0	3677	4790	1265	0	1728	1237	0	0	0	0	0	0	2938	0	7915	55066	7065	0	2580	0	0	0	1507	0	0	0	1215	0	2660	1369	0	0	4569	0	0	0	0	3029	0	1369	0	0	5289	3509	0	2667	0	0	0	3104	2332	Peptide	0.35	1.25	0.25
16	C21 H25 O10 N3	480.1613	480.1621	0.13268946	480.16135	0	14439	12558	8694	0	5258	11628	13035	8297	7534	5618	9903	10974	3256	15449	14220	9463	13163	0	0	8159	14586	18344	14421	15443	0	8968	0	14678	12491	11327	15279	13359	11600	0	9232	18413	9803	11851	15689	8127	5509	0	0	0	13248	6383	0	16241	12442	11896	11931	7675	0	15659	3725	5047	21988	14093	8707	19065	9927	6883	7800	5598	9066	6409	12509	0	0	0	8936	12862	10360	8908	9463	0	9706	12357	7781	13244	7006	12274	4460	0	5174	14576	10995	9471	0	14077	14801	0	4621	10694	0	12086	12745	6625	0	3476	19110	10272	11131	0	19041	0	0	15234	0	Peptide	0.47619048	1.1904762	0.14285715
14	C21 H25 O10 N3	480.1613	480.16187	-0.007421385	480.16125	21787	21826	27310	24580	11621	13023	22209	36383	16087	17068	12144	20026	18300	7036	31838	28034	31292	17885	21916	14660	14152	42225	26591	34415	27288	0	19100	0	28611	25418	29033	28745	35905	21070	27198	24561	33722	23051	30044	27852	21909	14762	0	0	0	29685	18063	0	28673	24137	20687	20734	13703	0	19158	11117	12129	38875	46838	19949	55413	25384	15837	17129	10883	15881	15534	23797	0	8118	0	27602	23455	27538	21137	28887	0	23647	26477	28897	20197	20769	21084	10357	13660	12691	23230	17673	20432	47437	26355	31014	66309	12863	19974	0	24116	21534	7989	11570	9566	32971	21066	31526	0	27846	9056	0	23463	23668	Peptide	0.47619048	1.1904762	0.14285715
8	C21 H25 O10 N3	480.1613	480.16205	-0.02226465	480.16125	40382	40476	36524	43746	17713	15722	24001	47819	25465	35736	25515	33846	31683	6038	31315	43923	40114	28441	34626	41824	42869	61805	35638	58195	18567	3037	20565	7545	33631	34904	37387	39764	43493	35630	51279	38074	50901	29285	42300	46427	56018	20818	0	0	0	51303	62217	0	42868	41928	39828	41944	18686	0	32651	17879	17687	46172	40252	40693	49357	31680	39342	31391	16355	30560	23098	53217	12828	12714	17847	36910	37087	32193	28667	31985	0	28318	39414	20796	29205	26688	24873	21381	19017	15655	30122	29547	28013	69609	23881	40202	80871	32768	36710	0	45249	36868	17312	16983	18831	41369	31584	55318	37862	42549	12838	0	25879	39243	Peptide	0.47619048	1.1904762	0.14285715
6	C21 H25 O10 N3	480.1613	480.16208	-0.019519897	480.16125	23666	20293	18167	24752	9994	8976	13349	24971	13312	18557	12187	15801	19235	4090	15629	31113	24451	19460	21058	18338	25216	32768	21093	32289	10075	1899	10936	5466	17016	17695	19892	18629	23724	20709	27790	20108	25882	15597	32283	19068	32194	12967	0	0	0	19989	38015	0	29291	19930	23840	22111	12527	0	18877	10627	8904	27484	17100	21211	26096	18213	26075	20691	9615	19498	17431	34515	4656	3957	8369	23427	23770	16790	10629	16333	0	13529	16528	8984	13437	13992	11219	8049	15491	9589	20146	13941	13011	41641	14103	23963	46575	19375	17326	0	24389	20358	7987	12879	13347	27250	15326	26516	20601	26331	8679	0	13811	26552	Peptide	0.47619048	1.1904762	0.14285715
16	C26 H25 O8 N1	480.16528	480.16592	-0.029834557	480.16528	4486	5477	2873	3985	2991	2882	1470	0	2560	17300	9989	0	4992	1998	1648	2394	0	0	5006	12455	16475	6353	0	2306	1704	31487	0	15011	0	0	0	0	3249	0	14984	0	2110	1509	1547	10473	8518	0	0	0	0	8930	10803	0	0	0	3609	7661	3215	0	2968	3691	0	3095	0	0	0	4426	3328	1832	871	3017	1481	1394	23011	35705	40658	1856	0	0	2313	0	0	1616	2982	10439	0	3635	1296	8435	2228	0	2526	2058	2159	0	4469	5795	0	7369	9373	0	3026	4676	2784	0	2810	0	0	0	0	0	1468	0	2239	0	Phytochemical	0.30769232	0.96153843	0.038461536
24	C26 H25 O8 N1	480.16528	480.16586	-0.06300712	480.16525	2499	2998	2981	2202	2314	3245	0	0	1718	18414	16341	836	2790	1897	0	1448	0	2667	2667	10885	10861	5502	0	1805	0	20703	0	11699	1417	0	1507	0	1671	0	14959	0	1281	0	1898	10002	16821	0	0	0	0	9973	11280	0	0	1172	4220	2929	2251	0	3115	1994	994	2039	1749	1615	3050	7243	2385	2292	0	3958	2535	1852	23534	25481	37440	0	0	0	0	1337	0	0	1820	5465	2523	6912	0	11891	2600	0	2709	1583	0	0	3437	1612	1722	12379	9270	0	2683	3131	1999	1221	0	1900	0	1518	7254	1484	1953	0	1001	3217	Phytochemical	0.30769232	0.96153843	0.038461536
14	C26 H25 O8 N1	480.16528	480.16602	0.034955107	480.1653	0	0	2399	0	2061	0	0	0	1645	9087	9486	0	0	2459	1539	0	0	1842	0	8720	7242	0	0	0	0	24776	0	0	0	0	0	0	0	1627	12503	0	0	0	0	4892	8834	0	0	0	0	4788	10495	0	0	0	3355	0	1803	0	0	0	1021	0	0	0	0	2143	2245	0	0	0	1474	0	26554	24092	20786	1401	0	0	0	0	0	0	1379	0	1823	0	0	4605	0	0	0	0	0	0	0	0	2505	3039	5248	0	4508	0	1368	1262	0	0	1279	0	0	0	1940	0	0	0	Phytochemical	0.30769232	0.96153843	0.038461536
22	C26 H25 O8 N1	480.16528	480.1659	-0.08078154	480.16525	8083	5117	8915	8280	6373	1983	1864	3560	3408	24061	34618	1404	5453	0	0	3970	2186	4400	6057	20000	26005	12762	3823	4042	1366	43502	2705	26653	2345	1179	2207	0	3910	0	27839	1128	3926	0	3230	26288	28961	3751	0	0	0	17785	20740	0	3545	0	7988	7387	3765	0	2807	3326	2729	3965	3221	2278	2434	17142	3431	3427	1562	2910	3010	1487	41646	45745	60322	0	1836	0	0	0	0	1399	2542	17139	2157	12159	1816	19149	5919	3054	3504	2881	4302	3385	5809	4616	5876	15257	12143	0	11238	7742	4553	5348	4186	3160	1012	4185	12183	4094	2600	0	2241	6476	Phytochemical	0.30769232	0.96153843	0.038461536
8	C23 H29 O10 N1	480.18643	480.1873	-0.018521411	480.1864	34687	65820	27453	63702	17223	12361	15276	70144	23738	143834	32922	18166	36048	11191	21307	54418	24207	22556	28428	63633	121284	60667	45982	69038	27988	19873	29462	21570	26958	54504	52914	31665	60176	54746	94943	55522	63116	17621	25958	47258	38877	14039	510	0	0	44492	77416	0	56688	50806	31275	71052	16652	0	31051	18492	12055	29270	40798	23144	32074	33631	31184	24911	7069	20070	17973	27557	20144	29736	38657	26993	24573	27090	18117	25057	0	20999	47340	22100	37944	20742	19032	23283	18711	11342	46278	12971	15938	35731	29092	37701	90218	32604	44709	0	33319	34594	14688	20454	18505	27030	17673	44628	17965	49310	14528	0	39592	29929	Phytochemical	0.4347826	1.2608696	0.04347826
10	C23 H29 O10 N1	480.18643	480.1872	-0.009547572	480.18643	63617	58811	60319	56030	26543	25445	64694	59588	34860	261596	50873	74978	55063	17988	44202	57836	74336	45880	53617	225630	109007	204944	42686	68171	64524	50047	31638	38283	50932	49655	51025	115500	62314	84208	314152	50621	62584	34387	41324	192084	139080	30740	869	0	0	73503	75131	0	58714	51978	58151	54427	28056	0	56933	28121	21086	56844	59788	48114	67431	49867	42141	38048	17360	38803	33886	44945	55811	75606	64717	51091	94112	107016	34738	47725	0	34346	91970	39182	75390	87570	40661	48487	31995	21884	34322	24916	27623	56978	49853	125172	87188	114270	164366	0	62473	117960	27691	31360	28976	61369	57786	81243	40889	43467	26519	0	38133	47922	Phytochemical	0.4347826	1.2608696	0.04347826
24	C23 H29 O10 N1	480.18643	480.18698	-0.04373684	480.1864	30887	25092	28849	24754	31874	0	6003	20230	28786	67887	20539	16026	59775	15479	16304	15862	9125	0	41709	69755	61234	26969	24009	0	14247	53635	4629	16837	19364	13013	16007	15122	15155	20913	69317	18484	0	12734	9738	40438	30940	12861	0	0	0	51415	47659	0	0	15907	26873	24041	20835	0	39380	28579	11852	19463	13677	7553	18701	31869	41292	31558	9244	30966	11421	6164	45338	77081	71904	20142	0	16635	13524	13646	0	13280	19114	12785	20318	35618	8775	27535	37879	16090	15584	13913	14275	10510	11212	13412	29816	17081	26735	0	29344	29341	26454	25913	21745	17102	11600	19968	37035	16650	25092	0	12897	49257	Phytochemical	0.4347826	1.2608696	0.04347826
26	C23 H29 O10 N1	480.18643	480.18704	0.010409204	480.18643	11066	13235	9328	10916	11927	11389	0	6580	11927	35785	8656	3519	23296	3617	7723	7062	0	18574	14977	34603	36012	8353	6288	11207	0	20330	0	6081	5039	0	5365	5615	7248	8169	30439	0	7238	4404	2843	18901	13314	0	0	0	0	23869	20922	0	8844	6056	15232	10862	7235	0	15510	8269	4024	7385	4568	4651	12030	12231	18203	8188	0	17734	8084	4062	21586	40326	31790	11000	7331	6721	6135	3470	0	6232	11112	5036	7271	8568	3427	11789	15924	10520	6744	2754	5174	3629	3811	5163	7222	6423	12045	0	13057	10176	8470	9270	10032	0	5115	6901	10046	8229	6582	0	3150	24040	Phytochemical	0.4347826	1.2608696	0.04347826
22	C23 H29 O10 N1	480.18643	480.18704	-0.04351859	480.1864	74036	74008	65482	73737	0	72982	27661	69248	90690	192388	77323	35594	115795	49073	56362	62653	36794	115954	104205	166687	182694	78777	67292	76395	55723	128730	24893	61924	0	0	51819	57760	0	59880	174542	53635	68975	48690	31972	122502	80455	37749	3571	0	516	154162	123233	0	54097	59122	67592	78987	63065	799	110736	70163	39315	59969	47462	27525	64468	92772	98622	78429	28359	84219	57794	33560	124910	184180	143266	65925	48940	0	37625	42855	588	0	58615	42705	49897	79668	39881	66844	81091	48610	50571	39156	0	30887	53569	64644	0	59447	90750	0	70991	0	73793	56213	55821	55469	35267	0	96329	50285	77547	0	41074	0	Phytochemical	0.4347826	1.2608696	0.04347826
14	C23 H29 O10 N1	480.18643	480.1871	0.004904529	480.18643	193875	199749	178845	182120	90838	94694	130838	480076	130092	387195	178350	119035	160170	75899	165838	203222	143872	174315	188200	432037	394617	280220	171891	243094	158088	253898	107618	171590	196406	204337	174238	212422	207916	143096	455955	207629	185545	122107	130372	291672	243612	112201	5123	461	0	553962	246741	0	185988	190749	175378	192741	99164	696	169034	95669	72117	188170	233515	126664	240120	207306	155674	126272	73083	110670	113793	123512	275221	308757	235050	179056	172514	208061	142502	164640	0	129823	0	161114	128207	154289	138897	168979	130280	97135	131722	98259	113868	150714	154406	194072	243015	146099	203219	1081	178243	220115	98572	84010	95444	201245	128180	260003	233603	153750	102662	408	113857	142893	Phytochemical	0.4347826	1.2608696	0.04347826
20	C23 H29 O10 N1	480.18643	480.187	-0.007261696	480.18643	181296	170548	172357	163345	163287	135090	79684	178716	181570	437263	166718	82254	250999	102444	132064	154993	74764	223721	225485	415337	379019	208991	134409	172445	130001	313735	67937	148221	0	141461	128876	0	150432	140493	474505	130657	0	91296	74142	298565	159243	104008	6029	1252	395	309202	249411	901	0	125251	167597	179737	125931	837	219600	143422	83788	130479	138079	73286	0	189572	197785	148529	77367	152952	115158	80078	247867	391328	278799	146047	130661	0	90746	129514	443	107844	120443	97673	103291	157969	102298	191972	164321	108510	0	91752	105513	86487	141685	184929	208284	124968	202267	1558	167475	191201	136557	113993	128922	148135	87292	175642	217587	139937	134077	713	92633	236961	Phytochemical	0.4347826	1.2608696	0.04347826
10	C22 H29 O9 N3	480.19766	480.19836	-0.066984884	480.19763	48442	42570	43967	39975	17543	17331	38124	57447	16671	38845	19002	31982	17965	8035	37300	60938	33153	25551	35187	44457	35651	71918	42876	67736	40983	7077	29705	15868	51672	40027	47102	47203	54305	38628	48755	46654	61426	35021	43103	59722	35296	22639	0	0	0	52552	36430	0	53263	49258	46225	45558	20033	0	26778	6890	15554	65499	49212	28913	57619	28414	16612	25793	16167	21437	26898	44004	0	16374	10007	48999	46261	47311	31125	43659	0	34468	44219	15588	31571	26130	36643	23166	11213	14772	34549	24757	28960	61741	73227	73229	98595	24096	38383	0	41004	45031	14928	12542	7275	54073	30309	70629	27189	53929	11768	0	35251	26594	Peptide	0.4090909	1.3181819	0.13636364
12	C22 H29 O9 N3	480.19766	480.1984	-0.053590477	480.19763	48961	37820	45011	40836	18574	19144	45811	64652	15662	27922	16178	21941	17792	7887	53014	40233	38250	24571	29787	51406	31320	66042	46248	57518	54190	4051	27308	14825	51778	35334	52857	45457	61779	40044	37939	50839	58168	40059	45296	45893	24818	18803	0	0	0	50051	27225	0	49773	41053	44956	35768	16759	0	26483	10753	16023	57187	79743	30108	39483	31442	20854	16105	12582	20881	26204	43048	0	15263	7801	50594	41882	46555	21451	33788	0	38006	37475	0	27091	27830	39955	19680	11058	16445	34548	21382	21943	75535	61202	74221	93469	23766	23739	0	35874	33535	14686	8463	9017	51589	28649	51527	31157	55401	16380	0	46128	23159	Peptide	0.4090909	1.3181819	0.13636364
16	C22 H29 O9 N3	480.19766	480.19833	0.006145948	480.19766	14853	12169	14499	11218	6021	9776	14300	19116	6039	6289	0	13170	12613	3772	20353	16496	11176	13077	12449	10688	0	18299	18108	20995	20177	0	8333	0	17753	16174	17033	21735	22062	13489	7202	17697	23348	17813	11010	13083	0	7497	0	0	0	14304	4685	0	22074	14408	14809	15185	8108	0	22150	3938	5587	20982	26640	6724	30143	7168	0	7784	6289	10352	9495	11238	0	0	0	21972	14663	16602	12484	13531	0	12246	14089	0	13184	0	12224	0	0	6331	16383	8001	11596	0	25422	39141	0	7317	9964	0	15947	15106	0	3433	0	19522	10585	19692	8752	23317	4314	0	16028	10309	Peptide	0.4090909	1.3181819	0.13636364
4	C22 H29 O9 N3	480.19766	480.19858	-0.001526258	480.19766	6547	7989	7258	5839	2407	4068	3676	6904	4138	4388	2478	4524	5193	1262	6589	9232	8002	5012	6012	4785	5661	12248	5951	10025	4597	1116	3825	0	6754	4820	6110	6241	7453	4495	6512	6819	7102	5157	11299	5963	5156	3762	0	0	0	6658	7093	0	7091	7148	6098	6574	4233	0	5443	3896	2354	9031	6415	6170	8493	5858	4187	4833	2583	5021	3034	8371	1424	1519	2022	5873	6656	6656	1786	4365	0	4217	6177	0	4515	3939	4743	2587	2598	2522	6046	4328	3418	14029	13350	11014	21164	4298	4745	0	6339	6432	2365	3866	3972	8789	4750	9493	3723	7469	2993	0	5775	4684	Peptide	0.4090909	1.3181819	0.13636364
8	C22 H29 O9 N3	480.19766	480.1984	-0.059195545	480.19763	35635	36458	34091	34686	11977	15382	25948	47145	13197	37086	12969	24533	18172	5781	32219	43220	29640	21303	27595	41999	32014	67175	35131	56123	28939	4011	22953	11230	39982	31424	34071	42597	45720	32082	49007	35246	45954	28602	36827	42390	30003	15748	0	0	0	40060	28497	0	44904	36005	34553	34836	19342	0	20476	11146	13038	46826	34482	24705	45163	26874	17464	18469	13024	16975	17633	37670	7055	15521	11114	36572	35106	31911	22134	30732	0	24288	31703	23246	22763	20216	25624	21366	12209	11255	31920	19846	24101	55530	47954	72848	75629	22523	36909	0	38176	34405	9828	12695	10503	42494	22302	45125	13315	40385	10777	0	28544	20294	Peptide	0.4090909	1.3181819	0.13636364
14	C22 H29 O9 N3	480.19766	480.19824	-0.06644374	480.19763	28236	32125	27349	31841	11600	11023	33101	49224	12313	18942	0	13565	12862	4851	30839	44079	24162	17964	24355	20158	20987	48997	0	43624	47432	0	20433	0	36663	34488	36953	41661	43954	29871	26157	33092	45109	26757	25840	25033	16619	16340	0	0	0	31310	18366	0	32981	30802	29279	24817	11704	0	22720	7378	11115	37781	59837	17236	36381	24336	0	10049	12560	15311	20852	20669	0	10288	0	30674	27481	34791	21357	33427	0	28718	30063	0	22538	19561	30609	10690	9628	14149	29206	17087	15291	39715	48227	56205	69611	17544	25507	0	24421	26203	7618	5025	5464	32565	20224	0	19727	35285	10526	0	26918	17227	Peptide	0.4090909	1.3181819	0.13636364
24	C27 H29 O7 N1	480.2017	480.20224	-0.006474543	480.2017	6815	4861	3771	9571	2729	3500	1688	3642	3193	9399	21741	1417	3458	2459	2502	2187	3250	4422	4280	11503	17085	5379	1802	2198	3005	37300	0	22896	0	2159	3655	6654	2256	2471	10114	3517	4794	1444	2164	10563	19984	2050	0	0	0	13071	12425	0	3865	0	6404	6655	2952	0	2849	3468	2326	2527	2753	3416	4466	9356	2325	3152	2689	3219	6850	2135	30950	36146	40326	3750	3561	1674	0	1932	0	1450	3237	6078	1510	7347	3250	13923	2637	0	7424	4004	4154	5436	5268	6328	6637	4991	6651	0	5319	7195	4039	1696	2793	4103	0	6481	4276	3490	3748	0	3058	2410	Phytochemical	0.25925925	1.074074	0.037037037
22	C27 H29 O7 N1	480.2017	480.20224	-0.058699105	480.20166	8357	10863	9490	9067	8639	3832	3076	4291	6810	21585	29042	2970	2752	6169	2754	8518	4813	4747	3715	26046	24352	11678	4493	9382	4462	58600	1767	34158	5199	4622	3591	0	4130	5741	18125	8916	4801	4321	4074	29573	31606	7511	0	0	0	12487	17683	0	4723	3185	10137	7451	4079	0	3255	3559	2510	8361	5113	5245	7125	16991	3414	3716	2198	6236	6786	5108	51241	55805	76784	4550	3986	2025	2224	5118	0	3399	5646	14066	5996	8363	3531	24935	5128	2634	8853	2884	4718	11349	9915	8129	13079	16114	10824	0	8836	7988	5279	5102	3827	5907	1441	7055	6466	6998	4038	0	4450	4485	Phytochemical	0.25925925	1.074074	0.037037037
20	C27 H29 O7 N1	480.2017	480.2022	-0.19047017	480.2016	5551	8637	6214	8237	6305	2790	2652	6325	2218	18030	19874	3379	2392	2829	4539	6766	5785	4016	4667	22960	18913	9925	3877	7151	2674	45228	2668	21129	3350	2134	3979	3988	5016	5098	19319	2569	5315	2614	3792	19314	20516	4999	0	0	0	10327	11408	0	5145	5713	10433	8810	3518	0	2316	6007	3028	4496	1365	4530	6194	10770	3195	4155	3013	6061	5798	6125	38611	44288	61930	4012	5243	2337	3524	2045	0	2419	5923	11231	3133	4618	3304	9265	2573	2928	5207	5884	3733	9910	6365	5194	9502	10545	8008	0	5471	6071	3986	6693	4336	2699	2164	4530	8710	5500	4242	0	6077	5918	Phytochemical	0.25925925	1.074074	0.037037037
16	C27 H29 O7 N1	480.2017	480.2023	-0.12079134	480.20163	0	3372	4757	3480	0	0	1172	2762	0	4760	7388	0	0	0	1364	4818	1451	0	2772	9577	4622	0	1387	5088	2333	21003	0	28233	0	0	0	0	2401	0	6351	2167	0	1631	3220	8994	7385	0	0	0	0	4493	3688	0	1582	1999	0	0	1467	0	0	0	925	2525	0	0	0	2898	0	1109	0	2333	1687	0	12107	22838	24101	0	0	0	0	2642	0	1372	4559	0	0	1584	1573	3748	0	0	2506	1952	2080	0	0	1895	0	2017	3264	0	3033	2683	0	0	2308	2541	1633	0	4266	0	0	0	0	0	Phytochemical	0.25925925	1.074074	0.037037037
4	C21 H29 O8 N5	480.2089	480.20972	0.045456268	480.20892	2020	2013	2119	1302	1085	1468	1350	2401	2946	0	0	1526	5008	956	2218	2055	2932	2323	1891	0	0	1824	1994	2211	2441	200	0	3881	1933	1344	1860	2287	2036	2110	0	1798	1908	1895	2450	0	0	1432	0	0	0	0	0	0	2165	2096	1809	1305	1147	0	2139	1585	758	2477	1267	0	1602	0	792	1283	0	2355	691	3187	0	0	0	2305	1121	2532	0	1725	0	1518	1817	24618	1332	740	913	0	1710	1253	2232	1687	971	3762	4461	3875	3825	1160	0	0	1429	1764	1187	3093	4577	2957	1739	0	0	1834	1988	0	1811	6721	Peptide	0.3809524	1.3809524	0.23809524
28	C24 H33 O9 N1	480.2228	480.2234	-0.06592101	480.22278	7079	8474	7855	8547	10146	4207	2919	6450	6162	20381	5980	2492	16989	4885	3586	10600	3231	12570	10548	25449	22847	6657	6699	9604	2178	25572	1869	7638	5967	3722	4490	6002	7514	7057	20017	8328	8430	3863	4564	11946	9351	2745	0	0	0	7019	8695	0	6903	5754	7897	6846	5495	0	9698	6702	3612	6427	4248	2542	9398	5875	11972	5350	3100	12505	3737	4703	20723	38868	36763	6003	4257	5524	3600	4491	0	4521	7924	0	6178	4430	2656	6671	9793	2745	7100	5029	3999	6199	8483	8568	7469	2590	5107	0	7930	9018	4718	7320	8750	5466	3016	5589	4334	5814	3070	0	2668	12423	Lipid	0.375	1.375	0.041666668
8	C24 H33 O9 N1	480.2228	480.22354	-0.0752249	480.22278	23834	23776	19458	19527	9048	13081	9635	25232	10538	36944	12992	12173	14931	4408	15989	23049	11775	11052	17354	43365	31707	31931	15596	25615	16156	12319	10036	10725	21444	20932	21002	20359	20753	18434	45706	21745	29339	12753	15511	24532	17875	10080	0	0	0	20502	14255	0	24038	17249	21370	24353	8920	0	17127	6731	5387	25664	6370	10253	34357	13389	12150	11854	3583	12908	9900	16321	8673	26009	21771	20231	18852	21882	11827	19417	0	13069	15345	11353	12753	7745	12062	18156	6390	6282	11309	7357	10755	20680	24895	25200	28424	13496	25498	0	19617	19947	6881	7433	8788	20484	10440	38267	0	16744	5460	0	13369	11799	Lipid	0.375	1.375	0.041666668
6	C24 H33 O9 N1	480.2228	480.2236	-0.04547672	480.22278	11249	9546	9662	13899	4239	4436	7676	14324	2992	16614	6157	5593	6731	2421	9916	11495	7234	4617	8562	21156	17561	14227	7875	14654	6761	4478	7193	6678	16500	10616	9368	13572	13916	11831	22538	13151	12871	8083	7638	13122	10164	4523	0	0	0	10718	8919	0	13675	12172	11229	9417	4439	0	7780	3789	2738	12698	4659	4957	12307	7738	7243	4939	1431	6789	6591	9728	5790	11327	8452	9044	11655	10493	4523	10606	0	8157	5692	4629	4954	4085	6630	7018	2824	5451	7889	4166	7936	12680	8000	10859	17394	8989	10672	0	11168	10442	2732	5210	6683	13186	5515	16655	0	8792	2069	0	6903	8265	Lipid	0.375	1.375	0.041666668
10	C24 H33 O9 N1	480.2228	480.2235	-0.053276245	480.22278	30300	27891	24664	24142	11887	11571	17014	38548	15480	45060	14825	18022	20854	8899	17857	26355	17704	18044	26061	50582	52584	48906	19295	33633	22848	29051	19537	18340	29197	25054	26428	34593	38490	23187	63228	35870	33237	19215	27905	43716	22371	10817	0	0	0	33854	24152	0	34587	33292	30291	30735	13922	0	22959	14274	7602	29812	10792	15573	38277	20477	21100	15330	8517	18460	17159	23292	18004	43122	31008	31924	25708	29183	20629	26665	0	20548	24436	12825	14989	13891	18810	17728	12771	10328	23269	9902	13631	30411	37140	33421	43526	18357	33453	0	26507	28778	11189	10611	12179	32728	17465	45098	0	26823	8084	0	22444	21202	Lipid	0.375	1.375	0.041666668
12	C24 H33 O9 N1	480.2228	480.22348	-0.072487555	480.22278	40884	41052	42562	39948	24076	19132	43009	71000	23293	53697	30584	27640	32081	11514	39619	46556	46866	29992	36061	89246	80982	64243	37210	62279	36857	48213	21819	25671	59508	42346	44956	36276	57194	42532	94769	47073	42008	33290	46478	60795	43815	23472	829	0	0	51345	42255	0	47540	51286	46234	39360	19977	0	33673	19101	16468	49961	39106	33878	37717	33617	34820	24348	12532	28116	25006	46327	34618	61296	54047	37774	39539	47686	34344	42230	0	35472	37259	23433	37586	25460	32908	36107	29559	20641	35174	19046	24549	67573	42541	57131	70699	29582	39622	0	47659	42973	21737	20328	19644	56120	28895	53133	0	39032	16747	0	35793	23804	Lipid	0.375	1.375	0.041666668
12	C23 H33 O8 N3	480.23404	480.2347	0.11572948	480.2341	3209	4156	4371	4545	1299	2272	5979	8310	1944	0	0	1823	1129	1131	7699	6125	4357	1533	2722	6838	3149	12295	7090	8027	7171	0	4968	0	10774	3231	5815	7481	9845	6227	8376	6619	8396	5741	6070	5988	0	2812	0	0	0	7240	0	0	7627	2975	6702	6637	5204	0	3146	993	1007	4181	0	0	0	3540	2802	3416	2522	2173	3578	8769	0	1383	0	7409	5408	4996	2959	4241	0	5942	6913	0	4630	2081	3939	1984	0	1702	5757	3784	3091	13924	17364	23670	20489	0	5384	0	5355	6149	0	0	1730	4122	4445	7856	0	7003	1974	0	7212	2419	Peptide	0.3478261	1.4347826	0.13043478
4	C23 H33 O8 N3	480.23404	480.23492	0.13374393	480.2341	3368	3416	2111	2148	571	1583	1010	3855	2035	0	0	1259	5132	1485	2946	4585	1580	1232	1772	1564	2261	3027	1962	2374	2874	409	2072	0	1652	1266	1239	1730	3591	3046	1997	2020	1834	1455	1871	1860	509	990	0	0	0	1611	2024	0	2725	1996	2118	3055	1034	0	4990	7702	1559	3078	1625	671	1983	1581	1125	2064	0	2732	1510	1926	0	0	0	2076	1755	1511	867	1934	0	1523	3023	0	1636	684	1943	720	1197	869	2924	1459	869	3756	3878	3553	6940	1155	2502	0	1734	2400	881	4675	4160	2011	1511	4013	0	3105	888	0	2407	55839	Peptide	0.3478261	1.4347826	0.13043478
14	C23 H33 O8 N3	480.23404	480.23465	0.21737762	480.23413	0	0	4403	3772	0	1755	3161	6596	1496	3016	0	2353	0	0	5593	6589	0	1613	3806	6057	0	0	4783	6379	6987	0	2413	0	8408	4195	5503	0	8526	5471	3697	7012	8749	4574	6304	3829	0	0	0	0	0	3865	0	0	5752	3484	3540	4666	1693	0	2227	1289	1301	6519	0	0	0	4042	3781	0	1636	2929	2539	5160	0	0	0	3734	4331	7515	2993	5945	0	3769	5326	0	0	2103	6198	2330	0	0	3424	0	4211	6553	22957	16274	18607	0	2501	0	5962	5883	1342	0	0	10278	4616	6477	0	5811	0	0	4954	0	Peptide	0.3478261	1.4347826	0.13043478
6	C23 H33 O8 N3	480.23404	480.23486	0.031828836	480.23407	6010	7556	6224	8048	2572	2882	4510	10986	4280	5404	2001	2929	5827	1562	7023	7368	3338	4460	5611	7169	4609	9683	4844	10642	6945	0	3462	2830	9186	7114	8528	7367	12096	5561	7627	6602	10926	6705	4023	5136	2754	2829	0	0	0	6699	3958	0	8878	6727	6238	8756	2896	0	7113	10588	3219	9975	3637	1070	8739	3274	3027	4656	1446	3018	2800	7763	0	2674	0	5839	6736	6301	3073	5806	0	4700	4215	2906	2951	2464	4548	2918	2157	3233	3855	2750	4059	7486	11102	13440	16183	2681	6319	0	6682	6463	1027	9418	11916	7623	4104	10042	0	8674	1580	0	5883	34475	Peptide	0.3478261	1.4347826	0.13043478
8	C23 H33 O8 N3	480.23404	480.23483	0.042118885	480.23407	11356	9285	10912	11529	3649	3517	5570	9852	4282	7877	1965	3268	6296	1446	7884	8804	4963	5158	6962	12338	8307	19372	7836	14365	9884	1350	4656	4132	11042	7186	7700	12998	11034	9880	8664	8482	12489	6220	6674	12557	8426	5555	0	0	0	5027	3673	0	14740	7957	9457	10818	4661	0	7204	7755	5405	10131	4404	2293	9811	3842	3104	4680	1546	4975	5188	5812	0	3190	2688	7870	6871	7523	10445	7436	0	5382	7981	5599	6053	2742	4929	3828	1643	0	7295	4057	7721	16064	22022	27026	24630	5016	14080	0	10538	8078	2217	11562	9706	13764	5053	11519	0	11725	3216	0	7262	4809	Peptide	0.3478261	1.4347826	0.13043478
10	C23 H33 O8 N3	480.23404	480.23474	0.029671807	480.23407	9122	9694	7667	8343	3138	2327	5476	9991	1886	9318	2386	5301	3894	1789	11466	9445	4617	3289	5359	10747	7161	19631	6926	12759	10316	1873	4516	0	12515	8508	10853	13546	12150	10830	10325	9928	16548	7318	5542	11017	4623	2593	0	0	0	7810	4790	0	11649	7645	8986	10145	5591	0	5188	1501	1921	13242	7740	2992	9174	6789	3564	6741	1860	3107	4708	8701	0	4337	0	7831	5182	6720	5703	9276	0	6861	9936	5483	5309	2530	5296	5732	2419	2666	8155	4642	5708	11763	29363	24705	24302	7914	11352	0	6700	7770	1846	2585	2364	11036	5490	12150	0	10932	1911	0	6705	8159	Peptide	0.3478261	1.4347826	0.13043478
24	C28 H33 O6 N1	480.23807	480.23862	-0.07495669	480.23804	7010	6438	6278	7224	4339	2696	3556	5721	3471	7077	17055	1370	2928	4469	4470	7797	4803	2602	3922	10186	14092	5456	3531	10581	6675	36509	1589	16933	6554	6048	6381	4690	5968	6626	4736	7024	6351	5533	7893	16165	18258	4390	0	0	0	5926	6466	0	6976	7688	5600	8706	4387	0	2328	1785	2826	9487	1374	7145	5894	8206	1926	1767	1422	4571	5215	6413	32488	23384	32894	4870	4895	4900	3560	6479	0	3398	5585	10454	3628	5755	5778	13111	3917	0	8702	4048	8274	14650	8762	4406	13646	5362	7348	0	5638	5386	3569	2837	3799	7600	2819	10250	3689	7466	2885	0	8112	0	Phytochemical	0.21428572	1.1785715	0.035714287
22	C28 H33 O6 N1	480.23807	480.2386	-0.19820543	480.23798	5019	6965	9813	5671	5779	0	1554	3441	1487	4928	9458	3489	1780	0	2848	7570	5908	3961	3087	12431	10201	5468	4578	8206	7744	35643	3202	13722	5660	5838	4984	0	4997	5391	3753	3895	6224	4710	6975	11597	14659	2892	0	0	0	3038	8490	0	3723	4029	4011	5589	2489	0	0	2129	1887	7060	2725	4114	8606	7991	1473	2600	2334	2220	7149	3928	31073	17619	29585	6263	2631	4115	4103	4648	0	3557	7527	7982	5593	6271	5261	10506	2323	1796	15026	6765	4001	21065	7813	9528	14211	6514	6319	0	5573	2807	2248	2124	1912	6665	5081	6580	3878	7080	1810	0	10010	0	Phytochemical	0.21428572	1.1785715	0.035714287
10	C22 H33 O7 N5	480.24527	480.2456	0.053870864	480.2453	0	1461	1677	1761	878	1010	0	0	1026	0	0	0	0	0	900	1664	1028	1053	0	0	0	0	1281	2373	0	0	0	5433	1379	0	0	0	0	1178	0	0	0	764	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	824	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42049	0	0	0	0	0	0	0	0	0	0	32836	14146	3181	1319	0	0	1448	0	0	1103	1585	0	0	0	0	0	0	0	1433	0	Peptide	0.3181818	1.5	0.22727273
8	C22 H33 O7 N5	480.24527	480.24585	0.17637976	480.24536	0	3344	0	5748	1378	3092	2948	0	3392	0	0	0	1644	6944	2650	5416	0	0	2610	0	0	0	1850	0	2679	0	0	42810	0	0	1542	2734	2668	0	0	2786	0	1922	0	0	0	1488	0	0	0	0	0	0	2806	1672	0	3870	0	0	1958	6442	0	3420	0	0	0	0	0	0	0	1712	1348	0	0	0	0	1676	2460	0	0	2132	0	0	2340	227900	0	0	0	0	0	0	1728	0	0	2294	118924	44334	3608	10634	0	0	2974	2290	0	3314	0	0	0	0	0	0	0	0	1650	0	Peptide	0.3181818	1.5	0.22727273
4	C22 H33 O7 N5	480.24527	480.2456	0.016879518	480.24527	1266	1528	1053	0	878	1368	0	942	867	0	0	301	3177	2812	1036	0	0	588	1092	0	0	891	449	624	715	0	1187	69023	0	0	862	819	1286	0	0	0	1257	828	0	0	0	0	0	0	0	0	0	0	0	0	0	1570	489	0	468	1227	389	1478	0	0	961	0	0	285	0	2766	450	1274	0	0	0	779	0	922	0	515	0	371	940	22620	467	0	0	0	0	333	533	689	448	0	13974	3240	1624	909	0	0	954	1596	643	1006	1406	0	888	0	0	513	1452	0	852	2755	Peptide	0.3181818	1.5	0.22727273
26	C25 H37 O8 N1	480.2592	480.25983	-0.02388525	480.2592	43249	40661	42513	38563	52238	25917	16988	45929	48989	60898	42478	24081	62040	27432	33989	39329	19316	51528	74031	81251	77004	34982	32778	51011	33652	83383	14163	39782	40841	30898	38092	29889	37704	0	82980	44998	45980	27089	23363	53306	40138	23664	0	6127	0	43468	33188	0	37531	31944	43585	39255	38211	0	65457	45131	22685	36075	32719	20090	42296	36905	55094	37229	13068	46479	34906	18875	79014	129138	109193	0	36793	37353	24920	30484	0	28177	37671	19947	30458	24368	27993	36921	46045	34736	35194	27443	31773	30525	47272	50118	41229	21581	36853	5455	44357	41714	29153	37235	41349	43035	20944	39867	28032	29569	30926	5809	23858	54777	Lipid	0.32	1.48	0.04
14	C25 H37 O8 N1	480.2592	480.25986	-0.052744135	480.25916	16421	15278	13483	15004	6264	6073	14267	26121	6301	9140	4186	15201	4636	3471	15957	22738	28365	3765	11948	21073	27826	16837	12191	26560	13905	13337	12335	0	20423	23830	18512	26198	27764	20151	14434	29268	18892	15806	19954	13798	11919	9744	0	0	0	13025	9044	0	22730	25367	9963	19370	7429	0	9348	6762	4855	26815	9320	11861	19619	10101	5101	6716	3363	4586	9498	27189	0	17340	13703	17786	20215	26049	21368	21764	0	13047	11570	0	12603	5237	8874	5335	6230	4521	10017	8131	10690	38799	22852	11403	31736	7297	18618	0	18082	13974	3703	5401	8738	24376	11769	27976	0	19539	3638	0	11100	4281	Lipid	0.32	1.48	0.04
12	C25 H37 O8 N1	480.2592	480.2599	-0.0405691	480.2592	8031	8745	9414	9757	5657	8214	8112	19039	2919	11586	5536	7488	3951	3175	10074	13481	12014	3666	10979	17250	13729	15271	9237	14911	12042	6635	7568	0	13526	12308	12707	13755	23195	11647	15548	13257	13553	9949	12397	12302	0	5756	0	0	0	10565	3978	0	12579	11189	9221	10079	6286	0	4212	3030	2565	17677	0	0	0	4842	2783	4035	2171	4413	5484	12249	0	11486	9826	11792	15607	15559	9584	13096	0	10476	8618	0	5179	3095	3518	4214	3128	2792	5203	3503	4072	32754	15650	9037	24565	5641	6844	0	10980	8093	2583	3328	2058	13243	9300	15898	0	16683	2874	0	10380	3543	Lipid	0.32	1.48	0.04
10	C25 H37 O8 N1	480.2592	480.2599	-0.051726528	480.25916	10110	7930	8296	11738	2610	3697	4847	15548	2464	11839	4421	6467	2970	2297	9638	13141	9163	2204	6430	20644	12345	13824	5856	12975	9530	3733	8430	5150	16261	14473	13468	15916	18294	14378	14562	15162	17883	7504	9185	9444	5497	3541	0	0	0	10991	4021	0	15202	11980	8789	8241	4375	0	2731	1083	2098	18043	0	1595	10560	4273	3073	4538	1071	3217	4311	12986	0	8327	5424	10697	11194	14961	9607	11462	0	11021	5334	0	4885	1911	2903	4980	1736	2095	6988	2097	4763	32002	17372	9987	22729	4223	13403	0	12230	7675	2055	2154	2287	12972	7787	14853	0	13311	1767	0	5788	2615	Lipid	0.32	1.48	0.04
28	C26 H41 O5 N1 S1	480.27783	480.27823	-0.09196207	480.27777	12269	13721	14536	11090	8937	8946	5764	40054	0	0	4367	9495	1733	12436	7449	7378	15727	0	0	0	0	3599	0	5474	0	0	17985	14222	9265	15772	1627	5634	4742	8018	0	4850	906	14146	24744	0	0	0	0	0	0	0	0	0	49495	11148	12127	11896	3896	0	0	0	2060	76110	0	0	4074	0	0	0	1468	2273	5798	32735	0	0	0	9350	6856	9689	2576	2682	0	36395	13134	2001	2937	0	0	0	0	4405	23352	32253	273659	32648	7920	0	11533	0	0	0	13231	12743	16725	2646	503270	4436	16194	0	0	5198	8963	0	1675	0	Organosulfur	0.1923077	1.5769231	0.038461536
6	C23 H37 O6 N5	480.28165	480.28265	-0.072125874	480.28162	0	0	0	0	0	574	1667	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4140	2275	0	0	0	0	0	0	0	0	0	451	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1352	0	0	0	0	0	0	0	0	0	0	0	0	0	549	0	9790	0	0	0	0	0	0	0	0	0	0	27280	2212	0	945	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.6086956	0.2173913
4	C23 H37 O6 N5	480.28165	480.2828	-0.003808815	480.28165	488	0	0	0	0	610	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	869	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15238	0	0	0	0	0	0	0	0	0	0	31123	2867	0	643	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.6086956	0.2173913
12	C26 H41 O7 N1	480.2956	480.29626	0.06888763	480.29562	3433	0	0	0	0	0	0	9313	0	0	0	4980	0	0	6338	4444	0	0	0	1310	2334	0	2210	2633	3724	0	1458	0	7165	5051	4592	6775	6945	2227	3041	6904	5599	2954	1761	0	0	0	0	0	0	0	0	0	4873	12297	1552	0	0	0	0	0	0	4931	0	0	0	0	0	0	0	0	0	0	0	0	0	3343	2557	7071	5467	4062	0	2975	1140	0	0	0	0	1394	0	0	1750	1670	958	38842	4402	0	6098	0	0	0	2011	2270	0	0	0	3640	3031	0	0	8449	0	0	0	0	Lipid	0.26923078	1.5769231	0.038461536
14	C26 H41 O7 N1	480.2956	480.29617	0.037840556	480.2956	5129	4536	2822	4914	0	0	4161	12665	0	0	0	7022	0	0	1521	12637	4548	0	0	0	1834	0	3081	10548	0	0	6278	0	8623	11140	13506	14069	12641	13766	2383	15542	8827	4339	3790	0	0	1644	0	0	0	2047	0	0	13638	5696	5091	2487	0	0	0	0	0	8752	0	0	0	0	1428	0	1450	0	0	11324	0	0	0	12322	14033	17586	20150	13006	0	5093	1885	0	3635	0	0	0	0	0	1696	0	1547	17289	8469	0	8251	0	1511	0	4911	4113	0	0	0	10433	6421	1923	0	8256	0	0	2786	0	Lipid	0.26923078	1.5769231	0.038461536
20	C26 H41 O7 N1	480.2956	480.29614	-0.10490657	480.29553	21405	18945	21772	19293	18465	5365	18765	26594	6416	6929	7796	22539	9765	9122	23145	31938	26994	12156	17487	18590	18512	8060	16339	27127	19126	23573	28003	14415	24297	33575	18854	28836	32968	22376	9050	38569	25978	21193	26730	9617	9956	13203	560	0	0	10052	12451	0	29848	27216	23492	19549	14857	0	11041	13250	11159	25312	14222	18750	33558	6264	10159	10545	6946	12508	7812	26824	25225	17206	20897	20349	29955	32271	35243	26595	0	19157	22310	10680	16611	5294	11670	8782	15609	15924	19541	15954	13143	26770	27369	14540	23704	3865	8955	0	14340	21518	12212	17985	18609	35432	17570	29648	18255	23927	16870	0	18323	9492	Lipid	0.26923078	1.5769231	0.038461536
26	C27 H45 O6 N1	480.33197	480.33252	-0.12121386	480.3319	9811	7698	12723	10722	19461	6411	20393	11738	9886	3626	9101	5096	4656	8186	9355	11203	16638	6670	29678	5144	4718	5847	5155	0	13080	12362	18379	13469	18569	19239	9538	13034	20183	12266	6742	20308	11063	8598	16738	5397	6230	10661	0	0	0	5977	6126	0	13679	16049	12460	14497	15097	0	15302	12956	6934	13115	9551	5836	13189	5405	8887	12113	9314	8579	16251	18729	5236	7609	7253	6876	12663	18082	12408	20398	0	5515	11197	8078	3495	3550	14842	6941	25773	19574	24933	7205	10068	15865	17833	10758	8262	5792	5125	0	11000	10620	9862	14418	21704	20512	5512	11714	0	9569	20728	0	15053	5166	Lipid	0.22222222	1.6666666	0.037037037
26	C28 H49 O5 N1	480.36835	480.36874	-0.18732789	480.36826	0	0	0	0	0	0	8509	6195	0	0	0	47942	0	0	0	8933	0	0	0	0	0	0	0	0	0	0	5458	0	0	10610	5326	0	0	0	0	0	0	2993	0	0	0	0	0	0	0	0	0	0	0	6553	0	0	0	0	0	0	0	0	0	0	5590	0	0	0	0	0	0	0	0	0	0	0	0	24305	0	2539	0	29379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35746	0	0	0	0	0	0	0	Lipid	0.17857143	1.75	0.035714287
12	C20 H16 O14	481.06128	481.06204	0.11512673	481.06134	0	3115	1716	1629	5687	2494	0	0	11473	0	0	0	10919	1799	0	0	0	4661	4597	0	0	0	1167	0	0	0	0	0	0	0	0	0	0	0	1443	0	0	0	0	0	0	2257	0	0	0	0	3689	0	0	0	1888	0	2988	0	5129	9559	2837	0	0	0	0	0	28476	9595	2016	10701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1545	0	0	0	9679	1274	1263	3694	1121	0	0	0	0	8137	1422	0	2466	0	10798	19233	15943	0	0	0	0	0	5717	0	0	15143	Phytochemical	0.7	0.8	0.0
16	C20 H16 O14	481.06128	481.06213	0.16409051	481.06137	2424	2936	3856	2892	18054	6368	0	0	21298	0	2990	1307	32882	5079	0	0	0	11987	9082	0	2420	7821	2285	0	0	0	0	0	0	0	0	0	0	0	3488	0	0	1708	0	0	3812	1601	0	0	0	1370	9566	0	0	0	3361	4371	9052	0	13412	23744	7528	0	0	0	0	0	44932	20972	7772	27106	4580	0	0	0	0	0	0	0	0	0	0	0	3151	4622	4293	3624	0	0	28703	5219	0	4888	4577	0	0	0	0	18103	3533	0	1993	2373	17033	30887	23267	0	0	0	5472	0	16126	0	1324	42364	Phytochemical	0.7	0.8	0.0
18	C20 H16 O14	481.06128	481.0621	0.16836493	481.06137	5715	5823	3111	2146	19069	7204	0	0	20685	2744	0	1095	38134	5154	0	0	0	10039	8382	0	2443	11689	2505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1617	0	0	3808	2515	0	0	0	3046	9552	433	0	0	3301	2576	6430	0	15404	23831	6956	0	0	0	0	1843	44360	22535	4383	19651	2476	0	0	0	0	0	0	0	0	0	0	0	3732	4777	3377	5310	0	0	20080	4755	1924	1616	5404	0	0	0	0	13680	2858	0	3187	4082	20473	30940	22296	0	1379	0	3127	0	16230	0	0	40627	Phytochemical	0.7	0.8	0.0
14	C20 H16 O14	481.06128	481.06207	0.067635216	481.0613	2833	3529	2447	2293	19910	5001	0	0	22553	0	2759	1528	27079	1515	0	0	0	10600	7479	0	0	11105	1311	0	0	0	0	0	0	0	0	0	0	0	3044	0	0	1338	0	0	3552	1852	0	0	0	1978	10091	0	0	0	4362	2026	7781	0	10947	18825	4840	0	0	0	0	2070	43668	18232	8317	17533	3290	0	0	0	0	0	0	0	0	0	0	1015	2203	0	3322	3118	0	0	21491	2401	1208	2567	1497	0	0	0	0	19892	3853	0	3587	2393	18411	35430	25136	0	0	0	0	0	11923	0	0	34680	Phytochemical	0.7	0.8	0.0
16	C21 H20 O13	481.09766	481.0984	0.08670765	481.09772	58067	47392	50525	52441	94980	59132	13232	13097	121256	62599	48411	16995	189971	34776	28755	12511	12823	125136	112224	45059	67942	134513	45805	18789	7918	3729	11261	12050	12969	8864	15879	9702	24953	11073	96811	8799	20197	26014	10683	41685	48222	29580	1087	0	0	97595	174886	0	13330	11718	53590	55426	68963	0	107124	86412	38809	22123	24875	13843	19790	40515	184418	107982	33951	112743	43102	8570	17171	16050	20621	16050	12724	8905	9604	11608	0	21960	45211	76488	40311	108670	6903	12325	96630	46559	36766	32602	32715	0	12815	25744	0	116896	88322	0	58764	52351	83352	92405	88111	20256	21282	13245	119030	24515	78372	0	13086	188825	Phytochemical	0.61904764	0.95238096	0.0
22	C21 H20 O13	481.09766	481.09842	0.23298764	481.09778	11352	9084	9955	5689	16249	14901	0	2514	22825	12083	2052	3179	37281	8583	2827	0	0	17733	12156	17517	13765	18710	7009	2925	0	0	1503	2554	0	1537	1766	0	3803	0	12341	0	3873	3573	1137	7418	7155	3601	0	0	0	23978	42269	0	1483	0	9183	9978	11127	314	28253	19358	9315	2775	3710	0	1327	9484	33027	17070	4762	21915	3680	0	3222	3358	3628	1263	1797	0	1058	0	0	3167	8199	10493	5383	31896	0	5135	16452	7817	3552	2263	4554	1526	4791	0	3183	22739	17528	0	10649	5472	16203	14573	14694	2055	2940	2138	33350	0	17414	0	1563	37607	Phytochemical	0.61904764	0.95238096	0.0
8	C21 H20 O13	481.09766	481.09854	0.14927092	481.09775	16988	14256	9554	17348	29870	7834	3442	3924	35844	22044	20340	6810	55598	7942	7586	7626	6964	23660	27480	16806	26572	23536	9632	3662	0	1926	4592	8124	1838	0	3726	2526	6102	2364	32296	0	3410	3806	9246	7796	20354	10834	0	0	0	12948	31694	0	5910	2760	11864	18194	16652	0	26380	31062	13636	3946	4088	7290	0	6730	66322	34728	15122	27414	10904	4562	10190	0	8586	2276	3210	1436	15317	2232	0	3708	14330	0	12912	13916	0	0	41146	11898	14520	10130	12862	11702	0	0	6370	28510	18472	0	14402	11584	45060	55052	46178	5528	3576	4594	0	2842	32186	0	2288	49196	Phytochemical	0.61904764	0.95238096	0.0
12	C21 H20 O13	481.09766	481.09842	0.055790573	481.0977	47146	55839	42724	53661	69625	37856	11841	15868	78977	62839	58903	24831	106124	20904	20479	17107	18030	70807	74029	41642	64845	105828	34095	21482	4853	3749	10322	0	7580	10750	12489	10862	20986	9111	96154	8446	18204	22518	16872	29384	64887	28755	1024	0	0	63056	162324	0	11579	14490	43164	50332	46895	0	76987	66118	28272	16460	12410	24180	0	31475	141754	69450	28537	75496	31616	16705	0	11816	30119	12940	11422	5444	14081	11315	0	19295	45736	38516	39726	66980	5074	9264	74649	32445	29710	30016	27436	20463	6031	11062	26843	122798	66115	0	39240	49303	92624	88047	81025	19427	17570	15726	112953	23712	68674	0	9533	126841	Phytochemical	0.61904764	0.95238096	0.0
10	C21 H20 O13	481.09766	481.09845	0.11746822	481.09772	28496	26522	20597	20143	31932	15491	4629	5764	44758	28939	26530	10774	59659	10226	8011	13190	9578	39662	40454	16372	28874	37810	17500	10301	1264	1447	6501	7911	2424	6082	5347	5260	9909	4370	49883	5181	10295	11523	10401	10275	30076	13738	0	0	0	19564	70510	0	6884	5179	26525	19083	17832	0	39985	40652	19090	8259	6126	11271	8781	16932	73768	43253	19121	51567	17394	11373	9481	6438	15123	5189	4969	1405	8285	4102	0	7066	24686	21728	16795	27177	3553	3887	45469	18004	22026	18763	14901	10482	3222	7940	9967	54334	36550	0	20523	21247	43952	58644	56166	6341	8507	7892	38711	7862	35847	0	6509	60105	Phytochemical	0.61904764	0.95238096	0.0
14	C21 H20 O13	481.09766	481.0984	0.05243667	481.0977	60412	64053	56030	60583	86906	54761	15808	19708	130946	77641	67951	29566	166006	34237	29685	18610	10386	101503	100447	48498	78358	137342	40108	19613	8789	5982	17608	19697	10722	10426	22024	14430	37415	15247	113537	11638	33754	28652	15908	39533	68496	35322	0	0	0	93217	201005	0	19734	14920	65284	66414	61636	0	106657	88971	42396	27746	31975	25325	19250	48136	194139	102945	39925	108083	39795	19500	15365	12357	29652	18139	13716	7334	13902	18190	0	24556	51061	80048	42869	109277	12124	11875	101953	48639	42784	42878	45504	24601	11909	27712	28280	141974	86001	0	47065	54982	99670	107965	91870	26208	23886	24841	159319	26004	79709	0	11937	168862	Phytochemical	0.61904764	0.95238096	0.0
12	C20 H20 O12 N2	481.1089	481.1097	0.1542402	481.10898	10628	17003	12011	12312	14974	7678	3860	3743	18462	13457	10913	9386	30926	3232	6746	6063	10097	20658	13577	8477	24978	36867	10933	4088	1072	941	3934	0	4291	4183	5705	3423	13749	5112	19554	4679	4420	6668	9851	18604	42161	7027	0	0	0	28138	89994	0	5313	2413	14536	11469	13293	0	27727	15571	7962	5402	5705	0	0	20042	51557	26291	7228	23388	7930	9927	0	2977	4675	6628	2620	4143	7005	2063	0	6603	8940	16514	7467	28408	1876	3439	14397	7748	6711	6995	9032	11988	0	6278	12735	34497	17185	0	13252	16947	11390	21172	14566	8548	6719	4311	64464	10540	14501	0	1099	43607	Phytochemical	0.6	1.0	0.1
18	C20 H20 O12 N2	481.1089	481.10968	0.26116416	481.10904	93827	102128	154720	89247	137096	64679	10142	18499	117859	369168	289904	26122	216124	44723	22574	49504	16814	130780	133765	207478	226568	369754	32650	30049	28140	212758	12173	124075	0	12630	15525	12292	24771	0	706990	8436	30705	27193	7234	256002	207316	29690	2791	0	0	230622	215408	0	9536	5337	122892	125216	83162	0	146202	123890	44634	29409	63850	31463	31244	229458	247638	137152	44075	115862	54612	20045	218086	311696	299801	13472	7023	4602	6756	0	0	15529	61431	240380	42907	225932	21755	182296	136272	78110	93142	50914	35807	26282	75565	155036	55339	356584	428729	0	129454	84255	125700	136670	122830	24710	16437	27685	157153	37581	96080	0	29551	215474	Phytochemical	0.6	1.0	0.1
10	C20 H20 O12 N2	481.1089	481.1097	0.12223821	481.10895	9754	9300	8225	8769	11523	4106	2072	5486	16144	8673	13269	6500	23818	2743	3827	4493	7366	15448	17376	8256	16161	26041	6686	5352	0	0	1794	0	2656	3842	2493	3503	5562	2135	19213	2714	5619	5004	5567	8820	33852	7258	0	0	0	20962	57806	0	1702	3691	7565	10844	7539	0	19631	11134	4503	5181	3704	8865	0	14977	33843	18426	7274	18511	6445	8260	0	2208	4447	6843	3673	2005	3818	1619	0	3817	5496	10446	4294	18305	0	2197	19144	5194	5781	8074	5813	7901	0	2770	9838	30100	16167	0	8723	11920	14318	16185	14485	9942	5997	2657	46037	7919	10048	0	1204	28078	Phytochemical	0.6	1.0	0.1
16	C20 H20 O12 N2	481.1089	481.10968	0.16994092	481.10898	5690	7517	8252	9321	11887	3885	2291	2557	13720	9157	2708	6132	25846	4852	3444	3504	3140	14258	13605	8068	8066	25922	4061	2656	1495	0	1262	2052	3026	2748	2664	0	8348	3011	14594	2032	6035	4050	3895	6764	16731	3356	0	0	0	18633	51771	0	0	3380	7548	6611	7099	0	13655	10951	4703	2946	2310	5121	0	15823	28931	15115	7035	13577	6162	1735	4933	3452	3234	1876	2696	1277	0	0	0	3241	5945	13151	4405	27306	1329	2165	11279	3651	6137	4848	6642	0	0	6915	0	25139	11248	0	8090	10112	5845	11537	10388	7911	2717	2544	29705	0	4785	0	2433	22712	Phytochemical	0.6	1.0	0.1
14	C20 H20 O12 N2	481.1089	481.10968	0.1373297	481.10898	12889	14000	12277	11202	15785	5043	4487	4556	20080	7491	10079	5534	31814	3491	4482	7099	6763	21010	16193	13703	32615	36259	7916	6221	1766	0	2917	0	3836	4137	4697	0	6602	3315	23588	0	3500	6257	4652	14186	28216	9405	0	0	0	36811	80745	0	4847	5050	7355	9291	9052	0	23764	14554	9000	7957	7860	10068	0	20614	38818	26735	6444	16281	10707	7060	0	2256	4805	3187	3087	1829	5065	3922	0	4331	8060	0	5117	37697	1660	4759	17974	6746	8134	9253	8208	11779	0	9014	11465	38056	19035	0	14319	13533	12390	15950	12745	7757	5390	2525	29657	6589	12185	0	2958	32750	Phytochemical	0.6	1.0	0.1
8	C20 H20 O12 N2	481.1089	481.10977	0.13211809	481.10898	3945	5926	3417	5763	5538	2187	0	1101	7450	5888	5422	3239	12997	1363	660	2144	3434	8596	7141	3205	12856	14117	2833	2480	0	0	0	0	1055	1293	1804	1857	2363	1644	8987	909	3435	2022	1635	3516	15111	3344	0	0	0	6502	30498	0	1563	1724	4595	6120	3705	0	12366	9463	3676	1764	2023	4623	0	5557	21040	13218	4055	10926	3444	4330	0	0	2248	2512	1821	958	2538	1966	0	1104	3259	4015	1682	6483	627	2264	8985	5201	2932	4610	4119	3974	0	0	3442	12273	5305	0	4196	3656	4904	10586	8500	3909	1465	1985	12123	3043	4825	0	896	17204	Phytochemical	0.6	1.0	0.1
20	C25 H20 O10	481.1129	481.11353	0.047801305	481.11295	24923	30033	22340	23552	28206	18734	4413	3067	42616	93397	64234	4394	40997	18913	6869	4647	2696	37369	35138	53270	60154	66588	8422	7182	7703	73420	3990	42684	2416	1650	2065	3676	1781	2315	149756	1789	6897	8070	3243	35610	39895	8741	1005	0	0	33891	52113	0	5078	2076	27410	29693	21766	0	34548	25336	13645	10844	4931	4699	9886	24040	52745	25776	11999	28125	15482	2517	62959	94288	97019	2667	0	2178	0	2087	0	3210	23015	42356	14758	32186	6841	41715	39082	20575	24189	10726	7810	10102	13098	22832	9234	64344	70365	0	23684	24199	35790	38068	29104	5754	3574	9789	26463	4031	29634	0	7997	43208	Phytochemical	0.4	0.8	0.0
26	C25 H20 O10	481.1129	481.1135	-1.43E-5	481.1129	6492	6492	6604	5741	11558	4667	0	0	13715	25447	9170	0	10561	6202	0	0	0	13085	8855	11362	12580	14233	0	0	0	19799	0	6476	0	0	0	0	0	0	32714	0	0	0	0	4834	6859	0	0	0	0	6457	11640	0	0	0	7454	5537	4151	0	11241	5922	4546	0	0	0	0	8868	22368	9098	3992	11115	4647	0	17351	26888	31505	0	0	0	0	0	0	0	5156	12774	6020	6980	0	5475	13669	8206	6263	4394	3013	2372	2186	2839	0	22035	35554	0	6464	6138	10021	13412	6176	0	0	0	0	0	5706	0	2977	15913	Phytochemical	0.4	0.8	0.0
28	C25 H20 O10	481.1129	481.11346	0.040061966	481.11295	3979	3343	4576	3613	5898	1820	1088	0	6167	12901	6818	0	10007	3070	0	0	0	9091	10087	4731	9876	10667	2683	0	0	9282	1034	3035	0	0	0	0	0	0	15904	0	0	1528	1094	4819	4870	0	0	0	0	3100	7909	0	0	0	4132	4050	3548	0	6736	4775	2125	0	1466	0	0	2578	11373	7353	1613	7684	1577	0	11569	14876	22038	0	0	0	0	928	0	0	5688	8005	4768	3914	1221	2981	10219	4988	2851	1496	1978	2502	974	2207	0	13012	17420	0	6141	3343	5717	7989	9459	0	1067	0	3024	1803	6427	0	0	8856	Phytochemical	0.4	0.8	0.0
24	C25 H20 O10	481.1129	481.11346	-0.03828984	481.1129	16591	9094	10962	11501	17874	8764	1366	1283	19428	42243	26118	1810	23499	8450	3326	0	1646	18669	19513	26184	22812	28448	8660	1104	3361	35978	2014	12155	1624	1190	1162	0	3733	941	56704	0	4645	4178	2164	13504	18211	3380	0	0	0	13017	26685	0	1626	0	11273	12090	10989	0	15176	13748	6833	2524	3837	2834	2623	10386	29136	17252	6411	15041	5760	1440	31739	46743	52253	0	0	0	0	0	0	2557	14120	21312	8979	13193	2086	15339	22358	13301	9504	3791	8104	3535	4343	7117	5253	38022	45418	0	9995	6526	20529	14614	19271	3898	1859	5576	13291	3362	14454	0	2143	22073	Phytochemical	0.4	0.8	0.0
22	C25 H20 O10	481.1129	481.11353	0.004357189	481.1129	23056	20954	22023	24307	28312	14030	3359	1803	33508	82176	44514	2660	33709	16338	6945	3236	0	27577	28853	44540	43627	42404	12071	4348	5639	60990	4663	30461	3704	2472	2086	0	2679	1554	107685	1237	6484	8112	2235	24293	29798	6470	0	0	0	29071	36564	0	1789	1086	20658	18361	16870	0	29129	22597	11832	5929	5478	5872	6369	21800	49420	19477	11639	28600	12339	2514	56263	70600	82226	0	1077	0	1123	2362	0	4874	20778	30075	15623	27218	2880	27497	42962	19094	19299	9612	7146	9722	7227	9620	8615	63957	67988	0	16806	17531	30600	39911	28644	9077	2742	7008	21759	8308	25438	0	8996	36452	Phytochemical	0.4	0.8	0.0
14	C25 H20 O10	481.1129	481.11356	0.001245159	481.1129	5701	4013	0	6034	7244	2282	2287	0	5100	19479	15014	0	7935	3403	1837	0	0	3292	4685	10973	6571	8380	1182	0	1621	16439	1545	0	0	0	1237	0	0	0	21817	0	2347	1928	0	3936	11087	1843	0	0	0	4456	11547	0	2239	0	3335	4448	3507	0	3998	3508	2631	4158	0	0	0	2846	6897	4930	1962	3636	0	0	0	21791	27881	1616	0	0	0	0	0	960	4537	0	4450	6503	1267	4768	6311	0	2821	2219	1296	0	0	0	2411	9100	13435	0	5327	3998	4868	5861	7500	0	0	0	0	0	5101	0	1687	8437	Phytochemical	0.4	0.8	0.0
16	C25 H20 O10	481.1129	481.11365	0.1313097	481.11298	11220	8723	10824	8068	11691	4736	2655	0	14568	52663	30952	0	13451	5672	3623	4398	1654	13897	16961	33084	28584	20767	6515	3621	2112	33293	1284	18800	1733	0	1546	0	3292	1288	83983	0	3584	3538	0	14306	19521	3987	0	0	0	13511	19809	0	3744	2036	10744	11278	7812	0	8965	12503	4567	3860	3157	0	0	10101	15619	10095	5736	11054	3442	2438	36934	44445	52702	0	0	0	1623	1382	0	2647	10163	17017	5975	14786	5415	12218	16185	6241	7024	3001	5826	0	5608	7420	0	29100	31135	0	15930	7394	16216	17169	13679	4692	2721	2920	8138	0	11955	0	2177	15261	Phytochemical	0.4	0.8	0.0
18	C19 H20 O11 N4	481.12015	481.1207	0.3394104	481.1203	12567	12840	39640	12505	25580	11293	0	4001	18163	56792	55664	2488	46692	3645	2494	13874	3428	21110	18419	32408	37872	90496	5226	4265	5162	28908	1643	17373	0	2692	1975	0	4595	0	147742	2812	4219	3025	0	64016	44710	4346	275	0	0	47766	29326	0	2326	1779	23834	23172	11578	0	28056	22302	5196	5615	16560	4803	3084	54064	43558	25868	4221	16052	7058	3787	37288	59510	33920	1806	1377	1534	1272	0	0	3887	7335	50164	3563	48736	4093	43530	24412	12998	18788	9870	5925	4618	16595	39340	10217	77686	95446	0	27014	13427	23618	24730	20544	4064	1865	5505	28597	5309	13778	0	4945	41498	Peptide	0.57894737	1.0526316	0.21052632
18	C21 H24 O9 N2 S1	481.12753	481.12808	0.09407637	481.12756	12748	0	11767	9540	11091	6006	3772	8581	10817	41593	30895	1196	12516	7454	0	0	0	8653	12146	10158	25042	29747	2544	8255	3880	23586	3540	23587	0	0	2010	0	13554	0	40904	5892	6615	2126	8235	31179	32790	7217	0	0	0	24888	32573	0	4632	4004	12533	12552	10179	0	13127	7882	4415	6381	8842	4522	7743	23683	27298	10453	3547	9874	3386	3734	22166	34366	29440	7684	5042	0	5268	0	0	1652	0	30710	8058	25734	8518	16454	4875	7688	8806	6093	8515	7262	15366	11821	10494	36538	42775	0	8508	20716	6375	8268	10920	7339	2569	2675	19872	6165	12599	0	5440	19207	Organosulfur	0.42857143	1.1428572	0.0952381
20	C22 H24 O12	481.13406	481.13467	0.009562814	481.13406	73772	79116	89934	73238	86340	85262	31552	55463	111577	174875	52296	36259	153693	45461	54845	44093	24573	125608	117677	127589	127183	131951	61890	47265	45635	49938	29882	43704	48626	33915	50692	47353	58940	45185	181604	37330	69761	47673	26067	110310	84135	83561	2842	0	0	207362	212084	0	45875	41419	79856	90177	61620	406	125802	67293	33205	51766	57924	23795	46336	96005	147765	102270	32615	101572	53013	28946	53206	113895	96041	54942	41045	38394	27643	39256	627	44920	61761	68336	53800	166243	36357	53695	81811	44611	48140	38388	43377	24405	43111	66732	58662	101218	103510	0	81301	73895	82029	57300	52986	47507	43958	56327	162216	44161	65552	0	32421	170256	Phytochemical	0.54545456	1.0909091	0.0
16	C22 H24 O12	481.13406	481.13474	0.04027776	481.13406	222638	202759	205946	210221	207338	168665	95887	142116	267911	459330	191666	97247	304289	94023	151376	117797	73707	304666	289461	365380	341390	395905	168878	145307	98200	113404	78202	129726	140584	119945	146802	151187	167466	127407	1178406	118266	165233	135238	91057	600280	200760	97567	4766	675	530	1028626	955100	916	158314	119783	223536	218123	160528	697	290901	162427	102558	147751	181756	80703	167344	434716	351340	236341	93176	233436	141710	73844	145967	227583	176251	157534	134079	126001	79129	140863	482	130403	159498	214845	121397	891318	100169	157635	186912	112526	132487	100568	120700	71685	121736	172248	180384	526700	309101	1492	226172	194656	178061	148824	136848	136163	101605	144373	404552	139909	166521	432	98401	695688	Phytochemical	0.54545456	1.0909091	0.0
10	C22 H24 O12	481.13406	481.13483	0.062429275	481.1341	53279	50574	53048	45278	41694	29491	27081	45405	97166	250464	72566	33114	102852	15884	34304	46632	32086	105038	54856	85158	89498	67915	36587	41983	13655	29264	31238	40008	33756	31446	30324	35863	36623	34183	272106	31518	36415	35312	44997	61948	76555	24846	608	0	0	152028	133000	0	38416	34810	54048	60781	31783	0	105602	36065	22931	40315	35744	46363	36193	46087	64518	95684	27952	46210	27991	47714	50620	43133	61946	34831	32241	31634	27891	36458	0	25570	48122	44443	41933	137872	19640	30142	48253	26997	38853	22327	26204	38084	16120	32035	39931	145832	72073	0	102800	104618	48512	84784	43651	43341	28685	40658	95517	32697	41462	0	23794	61009	Phytochemical	0.54545456	1.0909091	0.0
18	C22 H24 O12	481.13406	481.13467	0.019875584	481.13406	158719	170571	149114	151849	168332	136538	62231	101288	188452	308666	116659	62147	280112	84522	111281	79971	40828	241533	225933	273747	264236	261305	108866	103161	69961	70932	54560	88759	87102	77036	103204	109645	124928	81571	346759	78603	121020	94288	51838	206750	121589	70973	4053	748	375	386224	617196	546	88864	88611	167035	152009	117910	604	245944	125287	76502	98220	116778	48412	85761	166948	254119	176300	71441	180583	102216	59718	96397	170567	133797	105498	88032	82927	47146	87904	0	86380	116734	116405	100705	335274	69886	106017	140433	88631	94035	71340	86752	49153	90245	121652	113564	156756	213655	1166	148451	142134	154397	114671	98745	86531	71241	95157	269310	89988	113083	705	64207	249674	Phytochemical	0.54545456	1.0909091	0.0
18	C21 H24 O11 N2	481.1453	481.146	0.10695199	481.14532	38248	26636	36524	47072	26854	28292	30902	47536	40206	46034	17986	17578	56234	15364	45608	29814	20776	34722	60010	38776	44650	82896	48040	59622	27640	7748	27606	15896	34662	25684	43806	42292	42098	34868	63536	39100	49472	30100	31266	55490	44930	29490	0	0	0	89676	67132	0	46790	40664	39970	33648	22804	0	69694	32320	18138	37230	41948	17904	43290	54996	69692	29156	16304	37828	25142	20564	10046	13900	15409	39016	27614	27090	25640	23282	0	30350	31940	31102	39716	73228	28762	20686	27090	22290	33174	28624	29996	31318	25372	42586	66686	47646	44528	0	45990	48506	29182	19352	20402	53834	26922	31010	60766	43238	21028	0	29862	71096	Phytochemical	0.52380955	1.1428572	0.0952381
14	C21 H24 O11 N2	481.1453	481.146	-0.010704122	481.1453	81735	76164	69204	70676	49432	43357	50149	81306	69786	107821	54110	43626	78080	23779	66841	58892	69894	72773	83414	90893	109034	160687	74428	86239	48087	15194	40563	31619	74970	63940	68020	80973	94245	57086	158635	65728	78505	54886	52922	105365	105023	43709	0	0	0	142494	150388	0	73562	67841	81335	79894	45838	0	96320	43886	32883	80137	111127	67523	88386	106642	88130	64839	25004	65127	49014	53707	22856	40110	30560	71570	62370	79416	51880	59797	0	59703	53054	61394	52035	105195	45691	47999	53115	37352	58114	41140	52413	76350	58359	78207	120139	94105	96211	0	82464	75806	36821	45958	37701	79070	51154	92959	162043	76698	38801	0	46166	91432	Phytochemical	0.52380955	1.1428572	0.0952381
6	C21 H24 O11 N2	481.1453	481.14615	0.007418689	481.1453	15978	16382	15650	18862	9880	6232	6713	13005	15208	21026	17530	11288	19834	2841	5967	16994	17975	15681	18459	15311	26500	25847	10725	14135	2490	1735	6731	6768	11191	10317	11675	12958	19092	9544	27655	10501	12049	8926	16465	13115	30899	7945	0	0	0	17070	38037	0	17086	11431	16209	13905	10234	0	18997	13237	7059	13837	8480	17675	14716	13361	26998	16583	7907	16816	11131	18699	4963	4640	8258	10489	9795	10204	8028	10716	0	6636	11042	7588	9910	13640	6383	5837	15158	8013	12217	9941	11088	25051	0	12863	16846	18198	18713	0	12382	13629	9072	17180	13214	15346	9102	17226	16212	15589	10880	0	6487	24269	Phytochemical	0.52380955	1.1428572	0.0952381
10	C21 H24 O11 N2	481.1453	481.14603	0.002189713	481.1453	88417	80297	68411	61361	43118	36052	41014	74188	49320	106762	64356	58783	72324	17585	46585	66155	65398	59992	74230	101812	122004	129033	59795	74428	25987	10746	40180	27826	56933	55275	61645	67863	83256	54831	131869	64525	68737	46762	57844	108707	122847	43598	747	0	0	122781	160268	0	67817	63601	79493	78180	39635	0	76345	38086	30402	69018	64805	68765	66763	75583	84178	66695	30518	56228	44613	79098	28358	34014	39646	68265	62188	49754	49804	62261	0	42809	50372	58763	48180	80877	39572	36892	46530	28246	49969	40948	45384	77387	43648	57589	95142	87499	93632	0	70136	82628	34193	45310	36913	75122	43511	75998	108571	69286	37836	0	37341	86770	Phytochemical	0.52380955	1.1428572	0.0952381
20	C21 H24 O11 N2	481.1453	481.14603	0.28939953	481.14542	21224	14672	17250	14680	10778	9880	10691	12474	14868	10144	4428	8794	21064	0	12836	8274	8812	14864	28200	10277	16850	21218	11054	17166	8790	5142	5698	6468	8592	9920	7516	8208	10232	11828	15290	8374	16372	9020	8526	26386	7938	7810	0	0	0	33596	42730	0	13074	10030	11928	12912	14046	0	17390	12410	10178	9718	11300	8416	14266	12824	11696	9624	3848	15068	13524	6074	1869	7120	8524	13114	11300	6826	5970	7022	0	9930	17180	12998	7100	33662	8224	0	13048	7092	9336	14798	9232	11414	9344	15456	32696	19052	22916	0	13052	17198	6172	10028	5688	5486	8994	11656	23740	14496	8140	0	9278	15232	Phytochemical	0.52380955	1.1428572	0.0952381
16	C21 H24 O11 N2	481.1453	481.14597	0.05515525	481.14532	54944	40777	43234	46586	31023	28982	23994	52304	40993	56695	22065	32104	56483	10033	43693	42047	31495	60528	54637	57229	59692	87908	41788	53463	26967	7050	22738	16850	39703	37758	49484	43506	51146	29900	92091	38659	50042	36091	33858	81294	40576	27596	544	0	0	80899	78309	0	40186	38865	45347	48178	28531	0	50946	22565	17770	50353	50255	26535	60205	49531	59302	38918	21399	44202	37029	27198	16529	22820	16335	47891	39873	35632	27318	37815	0	34027	44612	31937	27931	61331	28825	30055	30225	24518	29586	24880	33302	32232	34433	56564	76857	46057	58282	0	54556	48252	21398	25224	26679	41979	26880	37040	70249	50092	22500	0	33181	72501	Phytochemical	0.52380955	1.1428572	0.0952381
8	C21 H24 O11 N2	481.1453	481.1461	0.00509919	481.1453	43832	45819	36978	43896	24563	16731	17411	40371	31419	57878	41224	29098	45045	7156	22786	34122	35662	31518	40658	48063	65469	80737	33729	44899	11935	5489	21022	14169	27228	31890	30303	39131	35946	30300	74257	30589	41913	24619	48755	52263	81385	22866	0	0	0	71880	107001	0	34765	40588	39884	49386	22580	0	40964	25979	16809	31808	29726	40496	39596	42162	58082	43003	16382	34628	23896	50169	15676	12183	26909	36454	35327	28582	29951	29132	0	23100	30104	34919	25553	42537	19029	22127	31682	16324	26166	28412	27360	52759	18130	37994	45869	59695	60531	0	44406	44342	23372	37144	31449	38929	28067	50728	59650	38197	24205	0	19312	58605	Phytochemical	0.52380955	1.1428572	0.0952381
12	C21 H24 O11 N2	481.1453	481.146	-0.010777065	481.1453	80133	94942	81397	96491	46869	44301	59968	103718	72397	128851	83329	62167	85488	19595	67461	70106	84803	79033	98041	117505	132132	178105	77968	93385	43148	16720	41029	43296	75367	64839	79584	72857	109824	71568	179067	72629	91658	65838	77875	140674	156157	46960	661	0	0	175265	186607	0	76959	87692	92237	94987	53867	0	107725	46722	33508	81178	105639	73084	90292	114627	116620	74284	29433	76283	51853	90916	36700	55966	45009	84458	69251	72063	51308	69378	0	70418	74670	74769	62052	119459	49420	45933	58082	43846	61857	46448	56933	100190	54728	88389	120385	128198	89794	0	108251	88557	46741	43876	48463	90747	67275	84339	191760	91768	48651	0	43726	117767	Phytochemical	0.52380955	1.1428572	0.0952381
14	C26 H24 O9	481.14932	481.15005	0.020711508	481.14932	5708	5990	4011	3634	6273	2912	4194	2782	4554	16493	10832	2067	6444	4211	2920	3866	4866	3466	3105	11217	11090	7004	3244	0	3938	23663	2924	8633	2002	3372	3262	0	3286	0	18368	3579	0	4499	3779	8620	12058	2915	0	0	0	7772	12537	0	0	5639	7224	6053	3009	0	3412	5056	1490	5700	0	0	0	4520	6095	6531	0	0	3259	4888	16380	28835	32219	0	4389	3252	4015	2894	0	3519	7985	0	5213	3521	3450	6176	4948	4726	6374	2157	0	7301	4099	3463	6200	6981	9248	0	5708	5884	5930	4474	5037	0	0	4714	0	3004	3812	0	4056	3325	Phytochemical	0.34615386	0.9230769	0.0
26	C26 H24 O9	481.14932	481.14984	-0.060136277	481.1493	12226	13119	12278	10906	13643	4311	0	0	18678	31909	23591	0	21139	9946	0	0	0	14856	16629	22844	26653	15016	0	0	0	51865	0	15864	0	0	0	0	2204	0	43022	0	0	3454	0	18819	15546	0	0	0	0	12773	13245	0	2137	0	9320	12470	8089	0	16845	17369	5569	2972	2490	0	0	12067	23896	13098	4840	16799	7568	3048	45483	51836	70044	0	0	0	0	2299	0	0	7672	9828	8202	12907	0	14826	20612	7009	7909	3208	3942	4020	3750	3949	5974	23739	24452	0	8007	14724	14070	21842	10837	0	0	0	9164	2728	10205	0	2711	22030	Phytochemical	0.34615386	0.9230769	0.0
20	C26 H24 O9	481.14932	481.14993	0.026659079	481.14932	55116	56309	51927	47360	51221	28178	11999	12791	60506	162628	113869	9088	56801	46096	15512	19874	9519	53415	67774	123930	135108	71638	23230	17050	16944	196990	15898	103236	13119	8231	11728	9193	17943	9290	211580	9256	22985	15866	15354	80782	80472	14013	1156	0	0	60962	62045	585	15458	11485	41277	56669	37016	0	54049	39958	23549	20573	14927	13343	21746	54869	72089	42653	28132	54864	29595	13578	168931	249030	244525	12651	15041	7512	9758	10490	0	14061	40215	58004	31248	43417	17416	84507	63716	34978	32035	23118	21432	22267	24482	31678	17188	68092	82980	0	53356	41939	51987	53260	56414	18453	8688	23404	45925	17798	46397	0	18372	68675	Phytochemical	0.34615386	0.9230769	0.0
28	C26 H24 O9	481.14932	481.14987	-0.022456158	481.1493	4960	4830	4329	5306	6270	3196	1378	0	8494	16318	8011	989	13077	4123	0	1881	0	7913	11527	9711	11266	7373	2896	2021	0	19866	0	7428	0	0	1113	0	1496	1110	16674	0	2297	1744	0	7391	9999	2271	0	0	0	4480	7032	0	1182	0	5636	5046	3705	0	7106	8618	2206	1279	1230	1492	2059	3446	11198	5707	2502	10295	2643	2328	25049	25965	41538	0	0	0	0	0	0	0	5430	8218	2861	3843	1405	5600	11066	4273	3444	2053	2817	1178	1881	3394	2483	9178	15489	0	3718	5157	6925	10104	7566	0	0	2506	3727	1526	6803	0	2132	9143	Phytochemical	0.34615386	0.9230769	0.0
22	C26 H24 O9	481.14932	481.1499	0.020280901	481.14932	43751	43982	43435	48733	55133	27252	8008	9961	59133	141046	115923	9344	55148	31497	14189	15551	6826	53059	51558	108815	98935	51521	21246	18265	14538	179540	7271	90401	7308	8619	10075	9897	11351	6761	165979	4215	18884	14180	10482	68706	63331	14399	0	0	0	60220	56308	0	7003	6876	46969	38974	35756	307	49879	43335	20998	11656	12448	11389	12572	50523	69774	44791	20242	49031	24405	6925	155434	210486	232852	8445	5845	4032	7079	8833	0	10997	29913	43585	30486	46329	12140	59462	69270	36972	34023	17544	19422	17349	26602	26999	16354	63764	84330	0	43665	43690	53413	53944	51917	10558	9355	16097	38901	7868	44469	0	15327	60238	Phytochemical	0.34615386	0.9230769	0.0
18	C26 H24 O9	481.14932	481.14996	0.027296307	481.14932	34288	37275	29912	38276	32561	16458	8920	12144	34103	113025	73693	8915	42104	24675	15891	16130	10087	29385	42672	81340	76506	46834	16342	19164	11768	153294	10955	72908	15009	9624	13466	10324	11751	13058	130611	14703	15735	11589	11369	59291	59750	13259	848	0	0	36354	43796	0	14742	11213	36804	35714	23412	0	31693	28036	19665	14650	10967	14164	17945	37193	46688	27651	16202	34347	18382	10955	121405	153343	193033	9623	9977	7624	9998	10450	0	9215	25097	33936	21747	35975	13361	44917	35915	18835	26478	15915	17679	14064	18316	27082	15172	40635	56301	0	37990	29418	38577	34127	38023	12316	7965	17734	26258	11894	29241	0	14358	41576	Phytochemical	0.34615386	0.9230769	0.0
24	C26 H24 O9	481.14932	481.14987	0.031218464	481.14932	28452	24169	26826	22571	28724	14514	3707	2529	32167	89757	56958	5253	33497	18450	9862	5569	3488	24943	32059	46486	54483	30057	12842	6819	7941	99782	3256	39116	3337	4208	2480	5011	4165	2906	84113	3518	6957	4897	2989	36330	41736	4775	0	0	0	32260	38044	0	5540	1886	25282	20576	16588	0	29698	23913	11575	6613	7566	4315	6661	27206	49125	25654	11948	33771	18291	5210	91532	111925	138317	4974	3403	0	0	2333	0	4433	23294	21262	18346	25232	5523	33441	40657	16891	17458	7802	9054	9707	6396	13792	9909	39896	46437	0	19925	22102	33066	38602	32994	5038	2830	8991	20721	4863	27710	0	6386	35586	Phytochemical	0.34615386	0.9230769	0.0
16	C23 H28 O11	481.17044	481.1711	0.054661416	481.17047	915960	900694	908882	908472	310112	284447	525900	955164	848346	2451222	455558	502530	864054	174059	767442	730186	218594	899302	980014	1898550	1685056	1136930	814432	861008	614722	414599	452138	366319	808910	709920	887524	458328	932922	675522	2820694	818594	895478	666786	249692	1344494	784648	218054	8718	1612	625	1412110	987548	909	935254	793172	921232	946894	281621	1567	995850	246364	184318	844648	917804	212243	421067	834580	973368	745100	166570	364017	580004	235772	374512	717357	518871	900408	872474	895906	228528	817676	371	632442	726962	292566	646328	958564	646284	859808	313444	210266	589908	420266	523838	265702	329323	859538	519549	679454	995804	3029	936434	915634	316506	221713	227280	736570	264163	849944	420725	434261	277516	771	576478	967434	Phytochemical	0.47826087	1.2173913	0.0
8	C23 H28 O11	481.17044	481.1713	0.15789448	481.1705	39949	91822	63770	60179	20712	16618	48748	66705	39649	57484	36085	38279	27453	6690	53674	47736	70977	26784	47168	86252	54486	57526	62538	86757	15945	24945	28399	16924	34310	61378	69534	52593	72954	63511	70777	68476	41088	48787	78334	34221	59350	20687	0	0	0	93460	62191	0	68881	43416	44418	59138	21766	0	45076	30961	17942	45501	64600	86421	62483	34072	49161	28999	6074	30336	21903	51737	20392	32372	52167	52590	64854	75670	50995	76874	0	26479	77059	26375	36056	34872	30254	20317	39484	11240	52855	19580	21738	61424	0	45349	83047	31594	37503	0	61020	77292	23830	40817	13412	65182	42249	60296	0	62823	20632	0	45701	34078	Phytochemical	0.47826087	1.2173913	0.0
10	C23 H28 O11	481.17044	481.17133	0.034546576	481.17044	82724	40286	38272	77752	21253	16271	65686	53829	29496	78829	50105	64766	44722	11207	66138	87734	36349	51094	62418	67280	61104	45490	69488	44631	18172	41489	63244	33557	66282	45684	38693	49068	80266	31415	77591	41926	44123	29112	81270	46753	51764	34262	0	0	0	53802	64382	0	49101	88544	49972	42562	19296	0	33530	43142	12367	83360	82616	73778	49709	32640	52748	51180	26638	27224	38928	47027	44242	48242	61119	45127	86790	48794	67958	40964	0	54134	85870	21072	43024	39033	34516	59276	28875	17939	37927	31930	43676	84868	26628	31289	84558	56262	45071	0	47551	43648	26448	24008	48232	93294	62966	106410	35696	59202	24888	0	33399	57346	Phytochemical	0.47826087	1.2173913	0.0
20	C23 H28 O11	481.17044	481.17105	0.012367028	481.17044	283450	282489	275909	263243	220002	221272	137838	247851	300966	609960	216381	131333	353194	122925	219200	199133	93963	336989	327774	525127	473708	346147	204907	239797	220286	241639	112350	195547	239206	185780	218664	239427	268287	209966	698421	195638	304557	183343	110194	431124	220577	144713	7261	1040	509	454488	287480	720	213599	189875	258796	262308	178989	1967	371957	178482	117616	213501	255888	95930	216466	238109	336308	257280	97519	254490	181983	135688	201331	470012	308873	256630	222506	248745	113204	201672	633	187654	209386	140292	187124	266900	156816	245576	196985	141406	181351	116305	171147	124338	245379	264535	298452	195615	232790	1638	283800	264387	184498	158802	144712	202413	156647	231080	274447	213311	166871	1517	149961	430222	Phytochemical	0.47826087	1.2173913	0.0
8	C22 H28 O10 N2	481.18167	481.18243	-0.02575136	481.18167	54378	59410	44928	49342	28691	23516	26877	47653	33744	75319	34296	31828	45052	12294	34847	51509	34958	37510	41201	69620	72862	85823	39837	55484	23652	7116	26537	24751	38801	37776	44457	50968	51451	42596	102068	47157	59430	31342	50121	62830	58659	21227	0	0	0	68181	62311	0	53415	42142	49180	55913	25384	0	46027	33514	20879	44609	41333	38358	51882	49168	50337	39724	18689	37614	27855	45598	14119	21261	23382	47077	47211	41542	32722	40467	0	28564	37445	34263	31936	31305	29094	33236	41295	23758	33766	21543	31857	58874	46843	80382	85757	47724	60660	0	57446	50135	25102	61957	62713	49511	25829	70622	41836	44682	33001	0	32355	42740	Phytochemical	0.45454547	1.2727273	0.09090909
6	C22 H28 O10 N2	481.18167	481.1825	-0.038786814	481.18164	27641	25386	20803	23086	20760	13900	10811	26151	20182	32599	17172	12708	29879	7540	16080	25012	19148	21612	31067	26696	31492	36959	18586	32183	11493	2966	13584	8053	22421	18108	20180	23348	29341	19315	46544	18073	26283	16083	29337	24885	30676	11105	0	0	0	25387	30365	0	23961	19283	25644	25510	15172	0	26318	20824	8082	23791	19452	18824	26727	20456	31361	19913	8365	25222	20497	29006	9095	9204	14560	21906	19199	16660	12532	18122	0	11340	15233	14016	11133	13567	12900	12121	36237	11374	18191	12926	12101	31131	22985	28427	40346	21642	29584	0	26138	22808	14117	50561	53807	25128	13982	33536	15988	26140	19259	0	13674	26360	Phytochemical	0.45454547	1.2727273	0.09090909
16	C22 H28 O10 N2	481.18167	481.18228	-0.06291536	481.18164	83273	89802	79474	72212	37704	48161	62812	101365	55739	120590	37824	52235	56095	18490	101684	83018	43125	81849	85503	121688	88353	124870	75102	103698	92194	18933	50670	39471	96348	82335	103838	107274	114788	85223	147790	97268	119453	69584	49966	122487	49577	44839	804	0	0	116219	49137	0	100759	82727	83592	68549	43384	0	77304	25964	30934	90825	135944	30856	103245	65448	62194	48759	23826	63572	60467	47145	14189	55855	22267	103460	85298	97239	40962	75603	0	63152	64264	41398	47800	64164	68598	55318	28540	39617	59555	40884	49851	97931	100795	144362	150584	47162	87028	0	83581	94652	28413	22917	23234	99403	54168	117528	73856	110110	28435	0	59506	74680	Phytochemical	0.45454547	1.2727273	0.09090909
20	C22 H28 O10 N2	481.18167	481.18243	0.23384614	481.1818	16170	7953	11831	6048	5827	7888	4651	13897	5950	13468	3071	7388	7333	4087	12478	9266	4426	7938	14175	10900	11232	10090	6752	17960	13453	2353	6144	4906	16296	13018	11904	14082	14931	14307	15231	13264	13538	9299	8534	15713	2900	6945	0	0	0	9797	6052	0	14385	9224	9886	9436	6820	0	11640	3101	2857	14826	15783	5271	18500	6700	4236	7986	3779	8588	5652	7454	3597	8233	5562	12131	10808	12469	5346	9684	0	11508	7772	5533	7712	7840	8705	9575	6397	6578	13021	7652	7750	8376	11737	15891	26874	8949	8420	0	13431	13591	6377	3505	3663	13977	7008	11949	10115	13942	3831	0	10373	18428	Phytochemical	0.45454547	1.2727273	0.09090909
10	C22 H28 O10 N2	481.18167	481.1824	-0.03698442	481.18164	91885	84546	81009	75577	35232	34522	56795	90119	41216	126411	58829	51938	57347	18065	64143	80017	47155	57935	62952	114669	101871	141704	65843	108553	51095	17521	45336	37980	88973	75824	80611	88640	97522	73579	163050	83388	97824	59644	67858	126715	84193	37110	0	0	0	108257	85888	0	91858	72771	85021	79741	36406	0	62817	33693	29412	93249	92637	62595	74835	72186	50174	49711	27737	51853	40086	61412	26873	41365	31925	89460	74713	85779	51345	68294	0	58625	66560	49301	47944	57281	62497	52985	40932	27930	58513	40043	42040	82163	91520	108930	127793	68556	89315	0	81306	83926	31088	38828	43312	83553	52053	103591	75689	82961	33572	0	48546	64730	Phytochemical	0.45454547	1.2727273	0.09090909
28	C27 H28 O8	481.1857	481.18625	0.005102703	481.1857	6526	6485	7407	8646	8549	2979	2318	3126	9943	17711	15129	1668	13843	6231	4079	3749	3502	7784	13091	15799	14734	5983	3622	6485	0	35084	3465	12087	0	0	2342	1672	4278	3528	18627	0	3550	2780	2734	11435	15190	2685	0	0	0	8870	9917	0	1612	3892	9441	5378	6410	0	8938	10618	3722	3221	2490	3177	4455	6865	12157	6448	3047	11889	6356	4300	40018	38614	63108	3174	2505	0	0	2048	0	2183	9342	12007	7922	4662	3083	11225	14878	5414	7135	4500	4490	3051	3538	7076	5573	11717	9104	0	7218	7141	7749	12678	13989	4012	2728	6151	3408	4600	8148	0	1633	10268	Phytochemical	0.2962963	1.037037	0.0
26	C27 H28 O8	481.1857	481.18628	-0.045250013	481.18567	24621	24346	23629	22511	29864	15802	4181	9114	27890	47531	44628	4327	29860	21305	11406	11693	7289	24629	22743	43327	60482	24034	13342	15990	9991	109262	4876	37787	7872	6537	8332	7020	11257	8197	55045	8809	12034	9652	7206	38253	43389	8188	0	0	0	21382	25446	0	9542	0	25482	24356	21067	0	26744	29328	11467	13120	7571	9768	13759	28145	35931	19457	10628	31063	14835	9360	112840	102553	147683	8688	6920	0	0	7894	0	6531	24379	26258	21587	18217	7886	31003	35819	10258	23472	12576	12951	10490	12370	12076	12785	23947	24870	0	20671	22211	25158	38545	36959	8427	5254	9385	12150	9491	24445	0	9545	27659	Phytochemical	0.2962963	1.037037	0.0
20	C27 H28 O8	481.1857	481.18628	-0.024344193	481.18567	86944	91597	81304	78495	77776	47509	34694	45331	88227	154328	150674	31548	91787	66219	44921	63140	36581	65831	103014	178586	188522	76493	48204	62266	40657	334382	34185	125859	47579	36747	38773	42817	56989	39425	201587	39774	55546	45807	42784	132242	139309	35001	1644	0	0	83826	83734	0	44401	45584	89537	82781	56959	254	69260	77152	45794	62884	45111	42096	58144	79820	86446	69757	45950	82424	55881	47489	245114	358368	432467	41192	36125	33743	34677	47127	0	38341	89177	57775	64640	57547	46578	137526	94696	52527	75237	46827	43723	62696	67685	62919	70780	77425	89470	0	85000	97356	79521	85467	82913	54013	31235	67711	56125	54093	68476	0	51646	91202	Phytochemical	0.2962963	1.037037	0.0
22	C27 H28 O8	481.1857	481.18628	-0.01919017	481.1857	102050	93611	88143	102538	98885	57151	28549	52162	97457	215611	191607	28183	92099	84417	49027	53365	34849	93797	96064	213075	216406	97596	61103	65833	46745	390594	26036	178559	45409	34755	44567	37325	50316	37533	268266	32411	58183	37258	37458	144895	151953	40293	0	0	0	97691	104956	0	44513	43685	82824	98125	75483	327	91352	98894	49571	61994	43375	39498	60676	106380	122809	80495	42321	92650	56971	37848	347433	416933	499997	42953	37554	30513	27187	36550	0	37738	88021	71219	71201	65630	40401	109634	119050	67576	83898	49615	47058	57695	70485	66641	77307	93223	103108	0	87139	88209	89062	112399	90239	56404	34737	60448	72259	54287	81656	0	52393	116639	Phytochemical	0.2962963	1.037037	0.0
12	C21 H28 O9 N4	481.1929	481.19357	0.07831144	481.19293	3932	5471	2851	0	0	1851	0	5861	0	0	0	3456	2850	0	5314	6799	5536	3687	2491	0	1694	6987	7046	7485	5905	0	0	0	7683	0	7674	4297	7686	4523	0	6518	6439	3759	5538	0	0	3198	460	0	0	0	0	0	4909	4396	6118	0	1317	0	4252	0	1848	7077	0	0	0	0	0	2194	0	0	2009	0	0	0	0	4083	0	4444	2381	2555	0	4148	5178	0	5607	3489	4464	0	0	940	5165	3035	2944	7812	24732	14325	11849	0	2538	0	7528	4928	0	1230	0	0	3706	0	0	7379	1384	0	4324	0	Peptide	0.42857143	1.3333334	0.1904762
10	C21 H28 O9 N4	481.1929	481.19366	0.040277664	481.19293	7319	13571	8982	9235	1354	1946	4868	9705	2300	0	0	4724	3574	0	7767	10424	7006	3291	4215	2534	2299	12689	7937	9941	14155	0	5143	4283	8338	8440	5695	8718	9739	8095	5614	8997	12701	5835	5830	5964	0	4034	0	0	0	0	3614	0	10061	9106	7402	8796	2186	0	5322	791	3643	8795	12424	3762	0	3060	3790	2334	2583	1935	3727	7863	0	0	0	6740	7132	5877	5330	7507	0	5862	6816	18648	6659	2974	5076	0	3100	2432	5521	3442	4085	11502	99262	34728	19966	7791	6039	0	6521	8052	0	1077	1345	9604	6161	7031	0	9831	1094	0	9577	3000	Peptide	0.42857143	1.3333334	0.1904762
8	C21 H28 O9 N4	481.1929	481.1937	0.008175744	481.1929	10835	10815	9355	11568	2662	5482	4925	9868	3936	5721	5132	5813	2684	0	10039	10659	6616	5456	6966	4447	3184	22084	8697	12627	7622	0	5314	11755	9298	8499	8020	10154	10722	8830	8033	9130	14766	5800	7089	8897	5253	5077	0	0	0	5151	3310	0	9562	10320	10355	10099	4969	0	4174	1854	3946	7862	6826	5064	10195	3539	3549	3703	3265	3772	3483	5578	0	0	0	9215	9672	9827	5153	8358	0	6409	6448	51618	5662	3584	6607	2377	1951	0	8926	4410	4145	13932	184661	72519	27667	16466	11865	0	13541	12016	2170	2026	0	9290	5822	8508	0	12129	0	0	8032	6078	Peptide	0.42857143	1.3333334	0.1904762
18	C24 H32 O10	481.20682	481.20743	-0.002273325	481.20682	533775	489135	494583	451928	313418	310673	332027	604543	395271	994936	460938	294380	481244	189039	478129	476093	269513	460238	550134	943452	726819	522744	467793	1199040	423920	453125	279668	407574	561597	486883	527029	571257	563104	481061	1086313	538859	573921	393499	309786	1216086	298662	268693	9801	949	520	512646	269253	793	542364	481970	493089	478172	302699	1524	611957	309223	221664	1035682	1019400	221124	493154	377082	478893	420448	195206	368866	317538	314827	364645	701257	525156	511485	433117	562351	305467	542432	0	385608	468534	232645	423225	324784	394861	329715	332810	274469	404209	244686	325317	305174	490966	573374	611279	265440	399181	3206	504567	486592	302740	254077	257017	501199	314972	543503	260340	433873	263799	1426	355218	492576	Lipid	0.41666666	1.3333334	0.0
26	C24 H32 O10	481.20682	481.20743	0.014239074	481.20682	16803	14113	17453	16104	16583	13909	5627	25331	19882	45835	12307	10109	28463	7273	18288	17926	0	23714	20470	40510	36873	15870	15207	20367	9497	13107	4797	12837	12161	13198	17516	12611	17119	12929	47654	15972	23741	13211	9384	21668	9204	9598	0	0	0	19389	10280	0	18144	17701	17629	16215	10173	0	26620	11268	6017	16510	10343	4832	15004	10951	25143	19706	4024	17712	9715	8253	12755	36043	24707	14537	13150	13863	6554	9469	0	10400	17333	0	20128	9215	12355	9192	12705	0	13083	7051	9914	7586	14807	19653	24382	7438	17102	0	17345	19497	7255	13382	0	11588	6838	15088	7772	12311	10356	0	7058	28282	Lipid	0.41666666	1.3333334	0.0
22	C24 H32 O10	481.20682	481.20743	-0.010151112	481.20682	243894	240287	232165	233100	173851	193048	109697	272909	253880	582425	170924	120273	276941	129606	251581	181084	84119	342206	289921	480027	379721	263913	220324	254156	250405	187084	90506	146702	254344	207158	247745	235488	266812	198593	644265	230384	332565	193678	90033	291583	98625	124989	3930	0	646	276762	113089	0	227502	203920	246273	222882	161110	838	377679	161730	110818	215594	282851	63724	212653	195546	310304	253571	85047	212831	148781	90398	136526	472612	206180	250660	202935	244239	92383	198475	351	199124	182983	73253	168238	141361	145086	147286	166879	129563	156328	103053	151363	106153	238490	316290	340344	120793	200394	0	205565	234446	141009	135689	114949	228559	146945	227823	142148	221339	134171	0	143506	357489	Lipid	0.41666666	1.3333334	0.0
28	C24 H32 O10	481.20682	481.20746	0.09397862	481.20688	6025	5697	6445	3660	4214	5647	3076	6186	4591	20577	4426	2454	7493	2762	5982	6608	3863	7913	8334	16320	15367	5337	5677	5471	5313	7919	1799	4776	6575	3611	5137	4479	6213	5037	18195	4435	6565	3927	3662	8521	5008	2891	0	0	0	5644	4926	0	7037	3955	6051	4407	2991	0	7150	4866	2235	6704	3577	1742	5310	4066	7203	4151	1993	5658	3274	2783	3801	18012	9155	5328	4406	2846	3456	5092	0	3307	5957	0	4431	2958	3798	4984	3851	4186	4324	2329	2722	2635	6699	10023	6331	2566	3678	0	6429	6145	2956	4288	2353	5393	1988	7212	2621	5839	3127	0	3119	5960	Lipid	0.41666666	1.3333334	0.0
14	C23 H32 O9 N2	481.21805	481.2187	-0.06486013	481.21802	26232	44602	31933	31976	15506	14890	34067	46114	18722	40993	17079	24374	13209	8238	40484	39362	31635	23984	28586	57004	44939	54040	31563	52416	44979	9363	21220	19256	43615	39397	37488	43346	48633	34115	60761	45212	41998	32991	24014	40634	24776	19062	0	0	0	45735	21543	0	45796	43050	35206	41361	16786	0	25267	8150	13112	58775	58071	17652	54768	33393	13056	14342	11887	19175	19364	23266	0	20772	12343	39496	39431	43674	25482	34377	0	33865	22568	0	24174	21998	39121	24875	9473	13397	30017	18430	21344	35340	68748	65903	82743	20937	31208	0	29360	41136	9878	9904	9436	48424	26028	55804	0	49382	14327	0	33029	23153	Lipid	0.39130434	1.3913044	0.08695652
12	C23 H32 O9 N2	481.21805	481.21878	-0.025119618	481.21805	26868	21490	26409	21405	10058	14060	24367	42324	14937	35978	14680	15672	13025	6049	25282	28255	18465	14773	23536	47511	36421	53631	24780	44583	34094	4722	16303	15421	34866	23695	36434	25426	42522	30497	58344	28640	32217	28957	29637	41090	19587	16621	0	0	0	50070	15962	0	34626	34674	22528	23774	19451	0	17675	9498	7484	40801	34715	16558	30877	16897	13271	15254	8616	17139	20445	30742	0	17749	12069	37457	29034	37360	15208	22921	0	23075	24305	16465	20076	20670	29254	17673	6998	7305	27953	15104	19154	48750	39954	64930	66006	19194	22745	0	25454	28957	8251	6929	6674	32257	20523	36738	19834	33594	7784	0	23998	19875	Lipid	0.39130434	1.3913044	0.08695652
6	C23 H32 O9 N2	481.21805	481.2189	0.008509612	481.21805	10659	10802	11672	10189	4626	5529	7639	14067	7139	16016	5232	7549	7975	2473	10479	14595	5812	8559	9627	15930	13161	20217	9880	19836	10080	2065	6168	4956	15313	10024	11892	12893	17691	15261	21587	15944	15873	8827	8593	11266	10587	6703	0	0	0	16488	8801	0	19357	12367	11973	12639	6590	0	9674	5115	3555	18138	9489	5549	17137	9190	8425	4152	4192	9103	8297	10064	2511	5975	2909	10308	14094	12392	6032	9602	0	9064	7050	6025	6197	6217	7404	5858	5292	4716	10567	5257	6649	12989	17661	44456	25805	9141	14378	0	10771	11966	3221	4799	5731	15135	7311	16616	0	10401	2876	0	8242	10964	Lipid	0.39130434	1.3913044	0.08695652
10	C23 H32 O9 N2	481.21805	481.21878	-0.03858835	481.21805	26824	24633	25295	20029	12149	11219	17958	31087	12042	35259	14507	14043	17449	7552	25043	30208	14743	16970	18214	36506	24707	51439	21922	33491	25684	3774	17150	8953	28066	28101	22507	28129	40713	20959	45892	29745	35224	19469	21751	35647	19984	13553	0	0	0	29096	19726	0	31244	22809	20747	22632	10968	0	18173	7348	7136	31901	24062	10561	25415	16614	14488	13402	5491	15902	16413	23209	0	16943	7266	26717	23175	24497	17436	25722	0	14337	17407	10815	15279	13448	17684	13525	6721	7909	18736	11870	16412	28256	36521	42094	52416	18281	28297	0	22774	25266	6949	9530	5658	25424	17485	40091	0	26949	7480	0	19196	16916	Lipid	0.39130434	1.3913044	0.08695652
16	C28 H32 O7	481.22208	481.2227	-0.121325605	481.22202	11815	17304	11019	12653	8454	5359	14105	13069	14183	16841	11411	10346	10303	3226	13590	15459	20078	4746	7624	13377	18673	8822	15626	16070	11934	19331	13970	9091	12464	18318	13756	12835	14811	6666	13240	14048	8443	14266	23568	11751	14392	8058	0	0	0	8173	12228	0	18135	11702	11746	13036	7823	0	9226	10051	11619	17301	9388	16939	14728	8052	9921	9597	6643	3951	8618	23632	21595	23287	30557	5982	8987	16246	19580	17831	0	9109	24367	8506	19445	6470	14736	12043	14415	6108	22274	3610	6768	29719	11399	13964	0	10306	7134	0	18958	11402	8339	20069	16874	8820	11301	11775	5695	0	10077	0	20412	7911	Phytochemical	0.25	1.1428572	0.0
26	C28 H32 O7	481.22208	481.2227	-0.028770255	481.22208	62212	61349	60274	59841	72663	34753	19807	56146	62409	88368	105426	25779	86720	43321	37826	53062	26246	61446	76273	122471	113418	54557	41720	62440	39472	254957	21336	104855	40419	37633	33936	42743	43172	33418	113145	37596	59337	36288	35971	79892	86479	36461	0	0	0	58006	52867	0	42137	39417	57507	59209	47432	0	66337	68260	34565	43290	40580	25906	44562	55955	64359	51193	25707	62239	48410	35893	272041	205957	271987	38440	28706	29589	25549	37962	0	29707	59891	44828	53750	40966	32688	79079	93782	42491	64516	38321	32248	36564	37230	46791	66668	54252	48698	0	60547	73895	55607	97124	104113	57029	28591	51774	36392	38340	71940	0	36789	55614	Phytochemical	0.25	1.1428572	0.0
24	C28 H32 O7	481.22208	481.22263	-0.025271745	481.22208	140661	147041	134830	132870	136727	84495	57320	96975	132406	202085	236904	65625	158754	89889	100510	109601	75516	116898	154978	266993	259723	115575	100771	115439	88052	583329	54059	229936	88452	91343	77887	91215	108159	86253	268733	94519	117082	75447	80052	191085	190343	79768	2516	0	0	124854	117786	0	101274	87169	142143	131980	102749	0	142687	129439	75278	113454	81976	69238	105115	140988	146603	107705	55526	145077	98192	82667	483905	493204	648532	80927	70874	72035	57128	86231	0	69510	144282	95490	110618	92358	72825	160556	170768	91626	138732	80501	86598	109760	110543	114087	145181	115045	124731	0	130906	145710	114368	154379	171324	109526	50305	121863	86833	99256	122218	0	83591	131350	Phytochemical	0.25	1.1428572	0.0
28	C28 H32 O7	481.22208	481.22266	-0.04468408	481.22205	14400	12707	11692	11621	18924	6432	5646	7686	15002	19722	21133	3966	26164	9323	8396	11648	5974	13328	17133	22240	21767	11148	9092	10519	7763	55741	5941	20133	6997	8252	8242	8276	9580	6896	20238	8704	9324	6096	7408	16522	21049	7419	0	0	0	10444	11225	0	9170	9404	14356	12154	13100	0	17066	15375	6433	9938	7379	5718	9724	9038	15272	11073	7308	19615	10674	6746	60671	45209	74561	4680	5321	4581	4193	5800	0	5405	15586	11000	11074	6495	7029	14667	22152	10449	15626	7193	8585	10127	9086	10363	13045	11065	9372	0	11700	11298	11435	29117	32642	8035	4491	10254	6868	8914	13092	0	7427	12770	Phytochemical	0.25	1.1428572	0.0
12	C22 H32 O8 N4	481.22928	481.23016	0.15735173	481.22937	0	3266	0	0	0	1413	0	0	0	1522	0	0	0	776	1421	0	0	0	0	1642	0	0	1848	0	2415	0	0	22838	0	0	1384	1614	2167	3353	0	0	0	0	2428	0	0	0	0	0	0	0	0	0	0	2612	0	3307	0	0	0	0	1080	0	0	0	0	0	0	0	716	1719	0	0	0	0	0	0	1220	0	1589	0	0	0	1845	113546	0	990	1259	1150	0	0	0	0	0	0	111331	33051	4683	16320	2014	0	2575	0	0	0	914	0	0	0	0	1853	0	0	0	1889	Peptide	0.36363637	1.4545455	0.18181819
4	C22 H32 O8 N4	481.22928	481.23022	0.19091575	481.22937	2530	2558	2215	2437	814	7957	869	2044	1022	0	0	1170	631	0	1528	1425	1383	775	1042	0	747	2125	1730	2343	1434	0	1081	9165	2096	1367	1313	1043	2442	1339	1052	1603	2008	1435	2553	0	761	1389	0	0	0	0	0	0	1431	1983	2128	2544	318	0	1013	0	345	2410	895	0	2185	0	0	572	0	632	577	1425	0	0	0	1042	655	1975	0	1284	0	892	1139	78905	1124	0	1115	0	938	784	1808	1049	0	2589	109267	31738	5297	8411	2677	0	2954	3213	0	0	379	1954	863	1235	0	1435	454	0	1255	685	Peptide	0.36363637	1.4545455	0.18181819
14	C22 H32 O8 N4	481.22928	481.22955	0.12156712	481.22934	0	0	0	2460	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1724	2498	0	0	0	0	0	0	0	1863	0	0	1957	0	0	0	0	0	0	0	787	0	0	0	0	0	0	0	0	0	0	2092	0	0	0	1617	0	0	0	0	0	1388	0	62185	0	0	0	0	0	0	1378	0	0	0	43097	0	3288	4718	0	0	0	0	0	0	0	0	1577	0	0	0	0	0	1207	0	Peptide	0.36363637	1.4545455	0.18181819
8	C22 H32 O8 N4	481.22928	481.23004	0.07447283	481.22934	16711	18971	14537	12110	981	8992	3564	4878	1009	5225	8773	2498	1123	0	2950	8360	3191	2969	1934	0	1729	6202	2578	4552	5474	0	4110	92572	5416	3258	3880	5420	8301	3839	2964	4896	7333	3661	2841	0	1944	2074	0	0	0	2054	0	0	6091	2039	18640	16039	1440	0	1714	690	913	5640	1083	1298	7038	0	2319	0	0	2494	1273	3592	0	0	0	4884	5074	2799	4286	4655	0	2961	2903	436095	1782	942	2047	0	0	0	2683	2486	2618	3798	970234	312315	7996	76793	19298	0	16519	17431	0	612	0	5539	1592	4363	0	5561	0	0	3863	1531	Peptide	0.36363637	1.4545455	0.18181819
10	C22 H32 O8 N4	481.22928	481.23013	0.08309081	481.22934	7534	8847	8134	7276	1046	3256	2762	0	0	2597	5018	0	0	0	1827	2976	1517	1310	1288	2220	0	0	1539	0	4717	0	0	49281	3515	1970	2119	2230	6324	0	2343	1772	3086	1599	0	0	0	1217	0	0	0	0	0	0	3108	2941	6278	8738	1037	0	1921	0	0	5352	0	0	0	0	0	0	0	0	1831	1410	0	0	0	0	1612	2721	0	2937	0	1073	2186	268768	1245	0	1496	0	1324	686	1758	1983	1198	2084	505543	148620	8525	45174	10516	0	6987	6585	0	0	0	4795	1275	0	0	2078	0	0	3963	0	Peptide	0.36363637	1.4545455	0.18181819
2	C22 H32 O8 N4	481.22928	481.2302	0.16936739	481.22937	706	0	967	897	594	0	969	1516	0	0	0	578	0	0	1206	0	1494	425	393	0	356	1255	533	1241	769	0	0	0	786	830	726	0	1838	883	0	675	1530	1061	1499	0	931	0	0	0	0	513	0	0	1398	616	0	996	303	0	605	318	0	947	670	319	420	0	0	449	0	0	588	1631	0	0	0	1306	624	1055	0	1086	0	1080	1763	31287	699	0	648	265	0	236	1351	410	512	4422	2623	1167	1863	1540	0	0	968	0	0	249	0	0	0	542	344	967	0	0	1366	466	Peptide	0.36363637	1.4545455	0.18181819
12	C25 H36 O9	481.2432	481.24396	0.12440815	481.24326	4458	6084	5851	3674	2241	2367	7472	10261	3663	3085	3455	4030	1310	1356	5779	6721	17599	0	1984	6122	4333	0	5856	7227	7793	2514	10880	0	7540	10523	6720	9549	6694	4604	1806	9638	7979	5912	13874	2384	3811	3104	0	0	0	2023	0	0	8791	11543	5450	9655	1056	0	4320	2219	1772	4297	0	0	0	0	1346	2045	2291	0	2858	12291	0	0	3494	1542	4482	7851	12440	10014	0	5930	7432	46014	6835	3907	5175	2276	3567	3839	9600	1533	4807	8982	20307	7693	7943	0	2347	0	3778	6808	2889	2882	5680	9780	2611	4504	0	5718	2708	0	6073	1844	Lipid	0.36	1.44	0.0
22	C25 H36 O9	481.2432	481.2438	-0.032407798	481.2432	300711	295190	268984	286253	199250	192400	191367	477088	271676	476240	193573	159833	279382	140602	274505	455385	146698	341342	378365	470338	375630	286145	232652	286153	283011	177896	149136	210646	507533	541578	501559	434596	402008	359021	534472	409879	453701	227946	161610	278010	121418	173691	6342	0	1212	242100	101780	0	662911	490477	308653	270917	195200	2430	410051	205223	134868	478134	277960	95678	404894	179200	299332	277961	124293	239978	200492	165328	139219	409402	211212	438833	368261	362161	416978	428533	718	233551	244750	109609	195336	127680	232012	160476	196824	173007	215664	146776	239066	144384	328543	388019	357688	134847	225535	3373	275767	296189	143478	183144	158294	378502	185568	380513	143387	286753	165432	0	170900	322635	Lipid	0.36	1.44	0.0
14	C25 H36 O9	481.2432	481.24393	0.009103931	481.24323	28608	25023	23707	26771	8367	8887	25134	28213	11001	11106	11805	19333	9690	2908	21898	26912	50613	8575	12523	15992	16533	19271	14151	24986	25550	16825	28690	14233	32382	33892	30346	36494	25700	21582	12039	32538	24638	22827	47359	7329	16800	13359	0	0	0	14316	16881	0	29255	29721	23620	25168	11547	0	15646	11997	11945	34568	14870	22135	31356	3965	13391	13944	10088	12381	14832	50641	0	9157	10806	18189	22406	37551	41917	29485	0	18237	37449	32156	27638	12624	19656	11947	14602	11612	31621	4371	12055	38228	81641	21027	29586	13130	8848	0	31544	25757	10409	22321	21043	26741	15053	21036	0	20739	13003	0	32831	10052	Lipid	0.36	1.44	0.0
26	C25 H36 O9	481.2432	481.24384	-0.029352505	481.2432	29967	31039	31582	27327	22071	22136	14816	29800	29240	51221	19031	15566	33216	19040	30335	27287	9374	37831	44679	57287	45967	32537	20618	28305	24189	20521	13716	16621	35576	39968	31302	33770	51588	28549	64568	46297	57202	16690	13690	30537	9590	15241	0	0	0	21720	11410	0	47976	22687	33022	30572	20126	0	49131	23309	13199	35184	25167	9106	31789	16219	40573	31406	9783	34616	21073	12326	18710	57599	28898	31942	28152	22031	25939	33952	0	23995	26657	6802	17383	11528	22962	14211	25540	12884	21985	12839	29095	13978	32978	37966	42126	12308	26782	0	27704	34518	12517	21910	19934	41611	11110	35826	12188	21733	17306	0	16167	35569	Lipid	0.36	1.44	0.0
18	C29 H36 O6	481.25845	481.25906	-0.075122274	481.25842	22863	16931	15219	14045	14142	6243	27610	24472	10978	7001	7897	15690	6056	8739	19710	23675	48646	7271	16592	7814	9451	11536	14383	19806	13259	17002	27236	8246	12643	15782	15838	24065	16266	5082	6530	18915	21556	17766	47242	4016	15764	12238	0	0	0	9695	10041	0	16757	14175	14758	18964	9484	0	15717	16698	14289	20009	8588	18797	17282	2730	11907	11709	10255	7214	14023	51081	9538	15240	25612	4658	10349	13788	29483	20323	0	13475	33002	12549	28830	7597	17626	4551	25799	17311	37793	6931	9715	45041	14160	19265	27265	11994	13705	0	18389	17687	17147	29263	25114	16688	13690	12448	3976	17586	18408	0	27712	9605	Phytochemical	0.20689656	1.2413793	0.0
28	C29 H36 O6	481.25845	481.25903	-0.07600653	481.25842	28045	25017	24396	24467	43291	53012	20175	25600	27908	22819	32155	13332	40064	18251	16996	23467	27695	24420	38607	31905	30196	20358	20919	28038	22538	85816	19938	36990	24987	25075	21778	21560	27661	18112	30383	29190	26232	16777	26320	24448	27114	17538	0	0	0	20898	14059	0	24408	26449	27016	23743	24783	0	32462	36092	15300	28290	17348	12809	25904	14655	29561	24800	14870	36799	25557	23667	70247	50134	69899	15840	14953	24648	11000	21012	0	14053	32112	22386	21603	16921	18081	29208	46165	21094	38772	16474	17106	26314	17088	18563	28860	24829	14343	1255	23782	25051	28361	68030	63142	29591	11724	27468	12155	26214	31417	0	20022	21449	Phytochemical	0.20689656	1.2413793	0.0
12	C26 H40 O6 S1	481.26184	481.2627	0.16082123	481.2619	344436	273366	378656	612436	47132	78470	2334238	514004	49296	281280	1415148	368564	56262	155196	101352	270156	606324	27380	14790	357912	99210	2483016	138826	131948	13666	29334	368228	9541041	137520	29704	125472	91744	110176	186924	175994	12960	15598	489306	488194	1031981	3369286	94864	171740	5084	3788	731338	441700	9472	78300	165272	408474	396778	55552	30504	69748	18800	87862	651736	2889876	6362908	2127188	2128386	348116	278004	12908	105698	99662	253490	12445662	1147622	1422112	164214	85308	21748	278140	47068	5966	142506	154974	8505304	15696	106104	70548	32554	10742	32896	13982	71690	44660	4189224	383362	1086441	32796	2425296	254656	7682	323204	175624	1207156	9430	23862	100976	127134	400472	3780516	115816	38088	10114	17850	118148	Organosulfur	0.23076923	1.5384616	0.0
20	C22 H40 O11	481.26434	481.26498	-0.3734474	481.26416	49792	53452	53142	47286	59332	38666	39678	71740	57882	67094	73136	42200	71150	29262	58240	77416	55318	49102	93884	103802	104156	44560	60976	73036	43850	89652	29620	45448	76672	60166	48230	59872	74866	68062	65790	64132	68498	39702	49568	51922	63684	33206	2128	0	322	63368	44530	1193	63128	59010	61552	62818	48860	534	55700	46770	25418	64828	45632	36892	79858	35318	60342	41932	23164	43140	38594	40042	78202	122682	109992	58992	63196	70586	56616	60988	332	52870	63262	24872	48558	26966	37816	45190	46296	35014	58010	40402	47556	41464	68782	76361	99678	35262	40900	0	62296	67564	36636	41056	50044	82120	39110	94810	38440	50538	45360	823	42656	72536	Lipid	0.5	1.8181819	0.0
16	C22 H40 O11	481.26434	481.26465	0.008154704	481.26434	4386	6376	10550	0	0	0	6176	17050	4898	0	7092	5970	0	4882	13920	10004	9500	0	6312	8362	12696	9800	6136	12018	8376	14488	9648	16308	8812	6644	12408	13944	8454	10892	9106	12974	15690	11413	12446	6048	7594	5258	2234	3418	1948	6488	4268	2827	12922	9828	8874	8628	3556	1402	0	4150	5276	15330	15554	11372	30920	5030	0	4874	3362	6254	8436	11718	18608	6630	14682	7564	11170	10406	11724	10788	2096	7930	6796	11934	4606	4260	7268	2914	6214	5108	8994	5826	8116	0	15904	16781	0	3932	6428	2746	9636	12348	6088	3062	8248	8204	6636	5776	0	0	6402	3247	6798	0	Lipid	0.5	1.8181819	0.0
6	C23 H36 O7 N4	481.2657	481.2662	-0.018726088	481.26566	0	0	814	0	0	762	0	0	0	0	0	0	0	0	0	0	1765	0	0	0	0	0	0	0	0	0	0	11314	0	0	689	904	0	0	0	0	0	529	2452	0	0	491	0	0	0	0	0	0	0	0	0	1364	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	597	0	0	0	72818	0	0	0	0	0	0	0	0	0	1324	44470	17468	0	3610	0	0	1098	1051	0	0	0	0	0	0	0	0	0	0	466	0	Peptide	0.3043478	1.5652174	0.17391305
8	C23 H36 O7 N4	481.2657	481.2664	0.16159774	481.26575	2042	1481	1539	955	0	2910	0	0	0	0	933	0	0	0	788	0	0	0	0	0	0	0	0	0	1049	0	0	22360	0	0	0	0	982	0	0	0	0	642	0	0	0	886	0	0	0	0	0	0	0	0	1210	1516	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	102517	0	0	0	0	0	0	0	0	0	0	112920	44818	0	4992	1059	0	939	1260	0	0	0	1193	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.5652174	0.17391305
10	C23 H36 O7 N4	481.2657	481.26608	0.20469326	481.26578	1922	2868	1787	0	0	1981	0	0	0	0	0	3502	0	0	2199	0	0	0	0	0	0	0	0	0	0	0	0	22000	1616	1993	4632	2109	1816	0	0	0	1751	1896	0	0	0	0	0	0	0	0	0	0	2353	0	1463	2283	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1158	2415	0	0	1599	0	1756	0	101744	1148	0	0	0	0	0	0	0	0	0	190117	42157	0	7744	0	0	1438	0	0	0	0	1161	1918	0	0	0	0	0	0	0	Peptide	0.3043478	1.5652174	0.17391305
18	C26 H40 O8	481.2796	481.28027	0.13115034	481.27966	6591	10633	5539	7634	5338	6746	16050	11383	1893	0	4217	8384	5047	10432	6188	13049	20875	2558	8434	3949	3032	4522	5681	6419	6180	1676	17281	2254	10405	10743	6477	13596	9409	4572	2477	12706	8463	10462	23719	1722	1674	5071	2093	0	0	2030	2113	0	14581	6864	5753	7893	5466	0	8795	7488	3939	15172	15128	9418	10266	2574	5620	4085	5468	7000	11750	23492	1976	2352	2283	6181	5946	13899	17571	7039	0	4920	14756	2504	8901	2102	13125	3002	8530	6395	13232	3406	6088	12928	7604	7990	10160	0	2871	0	8299	6610	4382	9605	14171	13913	4994	22080	29711	5971	7243	0	7300	3122	Lipid	0.30769232	1.5384616	0.0
18	C32 H36 O2 N2	481.28494	481.28564	-0.74204177	481.2846	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24552	6938	0	1200	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22022	26623	0	0	0	0	0	Phytochemical	0.0625	1.125	0.0625
20	C30 H40 O5	481.29486	481.29544	-0.07959247	481.2948	7564	5506	6130	8990	9900	4311	13568	6062	10744	0	4706	8798	4005	7961	10859	11498	28270	2093	10393	3239	0	3582	7690	4992	8121	3785	11539	5207	3458	9320	3556	5794	7342	2505	0	6529	6791	6951	28557	2443	3938	2337	0	0	0	1765	3064	0	3896	4197	5523	9031	8565	0	12111	22339	9605	5067	5956	10413	8727	0	5276	4168	10952	4198	3744	30779	1522	0	8319	0	2043	4547	16099	5195	0	5494	19525	8494	11306	1416	7509	0	31414	11095	26099	3405	3850	30578	4508	3839	9762	2261	3389	0	9459	7445	12674	33865	40526	12078	5639	5237	3169	6162	22563	0	15036	2394	Lipid	0.16666667	1.3333334	0.0
22	C27 H44 O7	481.31598	481.31644	-0.004442178	481.31598	1538	7711	5017	1680	1255	0	29123	2300	1114	0	0	1148	0	0	2491	4646	5280	0	0	0	1857	0	4608	0	3104	1891	17426	0	2228	3658	2210	0	3050	1512	0	3956	3247	3175	7088	0	0	1513	0	0	0	0	0	0	3233	1658	3680	2903	0	0	0	0	3061	7980	0	1917	2780	0	0	0	3862	1502	4205	12175	0	0	0	0	977	4731	4052	3631	0	3711	6227	0	2971	0	19201	10509	2242	5671	5171	1084	3267	8979	0	0	4753	0	0	0	0	2725	1242	3558	4589	2093	1286	0	0	2344	3765	0	3852	0	Lipid	0.25925925	1.6296296	0.0
24	C27 H44 O7	481.31598	481.3165	-0.11441286	481.31592	9131	11554	9595	9898	6346	4155	102149	6503	2818	0	5049	4206	4530	18282	6290	12068	13592	6270	10365	3115	1418	4443	2759	2707	8307	9082	78822	11739	9932	10461	6494	13397	11234	7911	4163	12767	11022	7137	21372	2157	5553	4666	0	0	0	2146	1982	0	6701	4433	13751	8887	4413	0	8582	4835	6181	14380	4759	5731	10870	1100	6028	6728	11978	9352	12415	17429	0	1693	2390	3514	6931	11243	7482	8660	0	4805	5639	4426	5882	6872	38926	36077	8123	4379	8945	5178	7834	26798	17483	13724	13265	1082	1707	0	10009	7815	3472	12046	14808	12793	4285	7265	7290	5476	6802	0	6541	5343	Lipid	0.25925925	1.6296296	0.0
28	C27 H44 O7	481.31598	481.31644	-0.053339586	481.31595	2251	2951	2718	2487	1994	1405	31275	2992	1298	0	3782	1364	2089	3960	3675	2070	2905	0	4984	3016	0	1898	0	0	3342	0	17443	6437	4985	4817	2975	3557	6440	3002	1335	6183	4636	1822	3987	1818	0	0	0	0	0	0	0	0	5022	0	2470	3044	1990	0	4465	2021	2400	5609	15669	1366	4933	6859	1320	1454	2875	4207	3762	3322	0	0	1110	2078	2350	4071	0	3596	0	2296	1775	3761	896	2620	6025	4192	2136	2335	4322	992	2025	1675	8794	6450	2141	1528	0	0	2563	0	1644	3055	3616	5450	1172	4767	16422	2679	2063	0	1680	1781	Lipid	0.25925925	1.6296296	0.0
26	C27 H44 O7	481.31598	481.3165	-0.120660946	481.31592	13513	11784	12946	9558	8639	6021	121940	12395	5827	2068	6948	3383	6515	24912	11194	13166	16335	5089	15462	0	0	2775	8231	0	10864	6570	96065	23422	15252	12400	6833	17487	18618	10984	9148	16462	17660	7623	15086	6759	5111	8745	0	0	0	6512	0	0	15762	9451	13886	12659	6711	0	16604	8948	8042	14194	19424	10086	15732	11557	11778	6850	15955	16234	22946	16981	0	4220	3693	7407	11354	14809	0	11084	0	5638	4133	9756	4110	8943	34195	27590	9306	10232	13865	5209	9024	11145	32020	23575	12340	4187	0	0	14361	10850	6765	13008	13244	17026	3645	14263	28342	10392	7723	0	9652	5603	Lipid	0.25925925	1.6296296	0.0
24	C31 H44 O4	481.33124	481.3317	-0.15381825	481.33118	3054	3689	2078	3134	1775	833	9664	2944	6811	0	1709	2487	0	3005	3371	4122	16044	0	3256	0	0	2857	3961	1332	6250	0	8032	2200	2679	4193	0	3307	4124	1145	0	5725	1988	5173	14528	1722	2046	2263	0	0	0	0	0	0	2250	3470	2326	3429	2825	0	5846	8114	5355	3034	3036	3168	2506	0	0	3135	2956	1473	3139	18352	0	0	0	0	903	2565	5315	4651	0	2204	5373	7292	4777	2055	2708	0	15358	9111	12979	2726	1452	19474	4501	4822	3250	7211	0	0	2850	3326	7137	20241	18479	3905	1743	3113	0	1764	13491	0	7659	0	Lipid	0.12903225	1.4193548	0.0
28	C31 H44 O4	481.33124	481.33176	-0.0948631	481.33118	7432	7663	7533	5757	11787	1206	15508	6376	14459	0	4237	2854	3601	6112	6178	5662	9415	3699	10795	0	0	1806	5129	1909	15312	3732	10088	5021	10019	9501	4564	5531	9668	3188	0	10562	5842	9499	10590	0	1241	4190	0	0	0	0	0	0	3487	6756	5532	6027	8612	0	19796	20531	7229	9119	5066	2292	2900	2030	3376	8658	5644	5354	6870	11448	2657	1288	0	1728	2575	9115	2525	6461	0	4055	16614	8216	5904	3523	9086	4920	33372	11767	29134	3608	4492	13687	6295	8001	8056	6345	0	0	6461	6618	14453	37330	46556	14801	5723	6430	3478	6226	32177	0	11780	2507	Lipid	0.12903225	1.4193548	0.0
26	C31 H44 O4	481.33124	481.3317	-0.15080926	481.33118	11741	10395	7530	10944	12829	5168	17725	8799	17521	0	4198	6495	0	10101	13717	8587	23743	0	14618	0	0	6220	0	0	22050	7833	19361	6669	10205	13048	8679	12198	13492	3281	0	11228	10139	14160	22366	2370	4411	7500	0	0	0	0	0	0	7657	12283	11087	11713	11217	0	23520	29211	16890	16358	9465	6524	9168	3065	3637	11281	11302	3542	10985	31387	0	1603	2698	0	3203	11723	8751	11973	0	8212	22521	14684	12090	6127	13977	5468	49134	28437	36026	6644	10457	35508	10898	13367	13676	9174	0	0	13329	9235	15700	47755	53240	20274	8570	10106	0	9940	41157	0	22403	3016	Lipid	0.12903225	1.4193548	0.0
26	C28 H48 O6	481.35236	481.35245	-0.12765016	481.3523	12702	12577	14521	11203	0	0	87094	0	0	0	3106	0	0	10765	0	0	279699	0	0	0	0	0	0	0	0	0	77087	5976	0	0	0	0	11978	0	0	0	3803	0	335672	0	0	0	0	0	0	0	0	0	0	0	14628	10528	0	0	0	0	0	2610	0	3635	0	0	0	0	7758	0	0	471015	0	0	9735	0	0	0	0	0	0	0	0	0	0	0	8023	11823	0	0	2097	0	0	12563	3600	2384	0	0	0	0	12258	16165	0	0	0	22578	0	0	0	0	0	0	11344	0	Lipid	0.21428572	1.7142857	0.0
24	C28 H48 O6	481.35236	481.3524	-0.16070722	481.3523	0	1402	0	0	0	0	12858	0	0	0	0	0	0	2060	0	0	30061	0	0	0	0	0	0	0	0	0	14795	0	0	0	0	0	0	0	0	0	0	0	35834	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46133	0	0	0	0	0	0	0	0	0	0	0	0	0	0	945	2123	0	0	0	0	0	2421	0	0	0	0	0	0	1982	0	0	0	0	0	0	0	0	0	0	0	995	0	Lipid	0.21428572	1.7142857	0.0
28	C28 H48 O6	481.35236	481.35278	-0.03386767	481.35236	2723	2426	2238	2474	0	0	47154	0	0	0	2790	0	0	4986	0	0	291815	0	0	0	0	0	0	0	3134	2702	31365	4286	0	0	0	1392	3911	1453	0	0	4724	950	219155	0	0	0	0	0	0	0	0	0	0	0	2003	2730	0	0	0	0	1455	1032	5359	0	3703	1433	0	0	2653	870	1032	319884	0	1046	1430	0	1536	0	4211	994	0	0	0	3513	0	0	1741	2462	0	0	977	0	0	3943	4159	4332	0	1368	0	0	2597	3758	986	7228	10109	11571	0	2157	5570	1976	0	0	1959	0	Lipid	0.21428572	1.7142857	0.0
22	C20 H19 O13 N1	482.09293	482.0937	0.10250904	482.09296	4493	4856	4844	4218	15141	7110	0	1436	13205	5734	3149	2263	24478	0	2131	0	0	13330	11265	3463	13088	10322	5144	2881	0	0	0	0	0	0	0	0	1619	0	4645	0	0	1580	0	1577	7186	3196	0	0	291	15330	53559	0	0	0	5807	3658	8340	366	16824	14996	6565	1474	2119	2337	0	8406	28329	12576	4118	10966	3219	0	5236	0	0	0	0	0	0	0	949	1638	2895	14972	3913	15535	0	0	21164	8159	2779	2735	3835	0	0	3327	3498	19574	11492	0	4729	7686	15017	14037	13985	0	2361	1298	32858	0	11393	0	0	29159	Phytochemical	0.65	0.95	0.05
24	C20 H19 O13 N1	482.09293	482.09366	0.18143444	482.09302	4658	3818	4167	4320	9280	4422	0	0	7966	3405	2106	0	20645	2218	1461	1367	0	16100	11847	4155	8752	12062	3698	1067	0	0	0	0	0	0	0	0	0	0	8713	0	0	1344	0	3160	3838	1387	0	0	0	11492	35511	0	0	0	4593	1920	5719	0	10982	9669	3412	0	1903	1140	1124	6006	17210	9505	3012	8341	2550	0	0	0	2061	1462	0	0	0	0	0	1639	1922	6989	2006	14317	0	1081	14562	4434	0	2088	1831	0	0	1853	0	12467	9181	0	4944	4411	6533	9702	7034	1424	0	0	24348	1551	3962	0	864	18809	Phytochemical	0.65	0.95	0.05
26	C20 H19 O13 N1	482.09293	482.09363	-0.04122545	482.0929	4582	3179	4003	2697	9264	5374	0	0	10226	5958	0	0	22496	3528	0	0	0	14145	8093	5155	11258	10950	0	0	0	0	0	0	0	0	0	0	0	0	6797	0	0	0	0	2652	4322	0	0	0	0	10710	39513	0	0	0	2820	4286	3880	0	12934	8738	0	0	0	0	0	5124	19656	10007	0	5885	2756	0	0	2402	2923	0	0	0	0	0	0	0	0	0	2422	14436	0	0	10519	0	0	0	0	0	0	0	0	11120	9868	0	3480	6783	5994	4568	7689	0	0	0	17748	0	6659	0	0	20437	Phytochemical	0.65	0.95	0.05
12	C20 H19 O13 N1	482.09293	482.0937	0.08676642	482.09296	12193	13832	9525	7793	24360	6605	0	1587	27429	9919	15201	4184	44755	4692	3665	1987	8135	29543	27955	11047	27640	38185	9875	2543	0	0	1267	0	1659	1884	1341	0	3359	2335	22256	0	2680	3186	2291	8204	19666	11230	0	0	0	18814	68427	0	1272	1507	8417	9461	11490	0	29826	32583	11063	3618	0	0	0	14278	62677	27694	6589	23496	8879	0	0	1385	4028	0	1142	0	1923	1381	0	2964	7095	27713	4706	19745	0	1455	35935	8741	4295	7685	7322	8317	0	0	4801	53145	17198	0	10203	12511	28095	30289	35692	4192	3634	0	30826	4206	25527	0	1624	40484	Phytochemical	0.65	0.95	0.05
28	C20 H19 O13 N1	482.09293	482.09354	0.060570884	482.09296	5105	4619	4322	5676	7781	6088	0	0	9026	6091	2691	1446	17739	2341	0	0	0	10709	8583	6562	12021	11021	2237	0	0	0	0	0	0	0	0	0	1222	0	9702	0	1222	1541	0	4774	7977	0	0	0	0	12032	30112	0	953	0	4559	5638	6370	0	10159	7139	3012	1005	1265	0	0	8088	18044	7544	1602	10059	2626	0	4501	2703	3392	0	0	0	0	0	0	1270	1828	6389	2054	13292	0	1809	9565	2766	0	1582	1686	879	0	1941	1660	10818	9828	0	4341	5636	6609	5532	8824	0	0	0	18491	0	7483	0	0	18866	Phytochemical	0.65	0.95	0.05
10	C20 H19 O13 N1	482.09293	482.09378	0.13129851	482.093	4907	4435	2411	2709	9161	3750	1526	0	14588	4644	7967	1880	22659	1413	1672	0	0	11724	13401	5901	13839	16664	3038	0	0	0	0	0	0	0	0	0	2063	0	7795	0	2100	0	1348	4666	12296	3640	0	0	0	5709	24842	0	0	0	6120	5270	4664	0	12858	17191	3665	1259	0	1598	0	3932	26087	15627	3427	13362	3786	2878	0	0	2840	0	0	0	1223	0	0	1037	2140	4857	2333	6216	0	0	16221	4641	2124	4591	2584	5686	0	0	3142	19955	9674	0	4920	6312	11950	17374	13269	2299	2524	3430	0	1646	12918	0	0	28410	Phytochemical	0.65	0.95	0.05
20	C20 H19 O13 N1	482.09293	482.09363	0.10557895	482.09296	9055	5000	5451	6479	17505	14477	1517	2186	25880	7430	4490	2321	41328	5772	4697	0	1794	32779	20744	4978	16254	26409	8744	2259	0	0	0	0	0	0	0	0	2600	0	9337	4012	3335	4546	2120	7090	13020	4195	776	0	0	23398	60223	863	0	2342	5322	10310	9648	222	31915	27644	6688	0	2122	3513	2107	10888	36775	23004	8001	15701	5040	2555	6126	0	5237	1405	2273	0	0	0	409	2183	6542	24017	4939	26281	1157	0	34492	13087	4470	4681	5531	1929	0	6512	2683	32780	18332	0	7352	11175	23445	18882	25277	2553	3823	2053	46402	3568	21094	0	1686	34515	Phytochemical	0.65	0.95	0.05
14	C20 H19 O13 N1	482.09293	482.09366	0.10065151	482.09296	37062	50028	45623	60584	125478	51817	0	16897	160697	38088	64933	19836	226356	34517	11888	0	24298	118943	135269	64286	133778	152597	47380	18810	0	0	11278	0	12948	6300	6891	0	25443	6653	75737	5358	20097	23578	11934	43426	106967	56327	0	0	0	85270	377158	1086	6042	10456	48734	40031	69804	0	151492	144184	54295	28239	0	27885	0	68848	263907	156218	41528	120784	36717	12612	0	6474	23248	9207	10256	0	10127	6840	0	9695	44095	151962	23922	105093	4227	6487	171703	68035	26566	62988	45883	17655	0	7812	38739	236567	119843	0	44568	57858	120669	143970	165874	23276	24104	16389	158475	15519	113285	0	9037	186528	Phytochemical	0.65	0.95	0.05
16	C24 H19 O10 N1	482.1082	482.10892	0.010925759	482.1082	8858	7737	4423	5886	8199	3068	1040	0	8727	43770	22460	0	11615	2298	0	0	1446	4992	7097	15066	25748	16427	3361	1593	1637	22911	0	11014	0	0	0	0	0	0	55524	0	0	1331	0	17095	19150	1468	0	0	0	8992	14269	0	0	0	5950	6448	4551	0	6142	6016	2824	2512	2279	0	0	10824	14456	7899	2624	5381	2416	0	18722	29680	40076	0	0	0	0	0	0	0	3377	17780	2570	14142	1925	12868	9040	1995	2872	1586	1309	0	0	0	0	24729	32401	0	8336	8023	4517	6858	5707	0	0	2008	4943	0	1594	0	1014	11425	Phytochemical	0.41666666	0.7916667	0.041666668
14	C24 H19 O10 N1	482.1082	482.109	0.11775709	482.10822	2185	4055	0	1889	2758	1934	0	0	3839	19543	11439	0	4429	1703	1066	0	0	2203	4023	10177	10069	13611	0	0	0	11438	0	0	0	0	0	0	0	0	32553	0	0	1229	0	7897	12160	0	0	0	0	7809	9886	0	0	0	3994	2241	2183	0	1854	3140	766	0	0	0	0	4050	9544	3807	0	3473	1205	0	17036	19407	23952	0	0	1249	0	0	0	0	1417	0	1439	7030	0	4406	3171	0	3000	0	0	0	3095	0	0	13587	12338	0	0	0	2120	5785	3909	0	0	0	0	0	2532	0	0	3049	Phytochemical	0.41666666	0.7916667	0.041666668
26	C24 H19 O10 N1	482.1082	482.10873	-0.039935514	482.10815	0	0	2301	2699	0	0	0	0	4005	15506	3577	0	0	1926	0	0	0	5967	0	5263	5835	10823	0	0	0	0	0	0	0	0	0	0	0	0	16304	0	0	0	0	3756	6890	0	0	0	0	10565	11577	0	3528	0	3996	3728	0	0	0	0	0	0	0	0	0	4927	4587	3513	0	2903	0	0	0	4970	9267	0	0	0	0	0	0	0	2765	7217	0	4347	0	0	0	0	3655	0	0	1485	1527	0	0	10629	21695	0	2376	0	0	3028	0	0	0	0	0	0	0	0	0	3849	Phytochemical	0.41666666	0.7916667	0.041666668
24	C24 H19 O10 N1	482.1082	482.10873	0.010509997	482.1082	4462	3974	5257	4783	1481	1690	0	0	7506	20700	5110	0	4318	892	0	1477	0	4015	3821	4526	6140	13325	2995	0	1746	4230	0	2961	0	0	0	0	1319	1314	17766	0	1207	1421	0	6389	6854	1965	0	0	0	9634	14234	0	1036	0	2028	2702	1732	0	2860	3092	2453	1519	1278	1345	1407	5950	9561	6963	0	4345	2661	0	2899	9044	10117	1451	0	0	0	0	0	0	4718	11414	2509	8565	0	6485	4938	4107	3538	2665	1446	2274	0	5396	0	21233	25344	0	2006	4241	3046	3227	6716	0	0	0	6272	0	4774	0	1578	4919	Phytochemical	0.41666666	0.7916667	0.041666668
18	C24 H19 O10 N1	482.1082	482.1088	0.003721	482.1082	8256	5275	4697	8180	7795	5815	2168	0	12704	46481	26574	0	10509	2922	1748	3508	0	4838	8928	21052	24547	24018	3429	0	1943	15847	1838	11706	0	0	2021	0	3750	0	52035	0	3010	2338	3376	16869	22094	2399	0	0	0	21019	21855	0	1560	0	12819	6840	6516	0	12031	8549	3319	3086	1388	2421	2519	16737	17403	8220	4787	11125	3178	1574	21471	34734	34819	0	0	0	0	0	0	0	2555	28832	3156	18918	1508	12413	10512	4334	6810	4438	3264	2873	3239	7157	3623	39878	43983	0	9098	10250	9146	13773	5488	3437	1617	2366	14761	2282	5862	0	0	13461	Phytochemical	0.41666666	0.7916667	0.041666668
22	C24 H19 O10 N1	482.1082	482.1088	0.025068587	482.1082	5348	7103	4237	6311	4942	3880	1551	0	9966	29647	18403	0	7022	5231	2074	3133	1899	7486	6926	13614	16846	23465	2165	2014	2460	10097	0	9269	0	0	0	0	1237	0	39078	0	3968	2732	0	11845	20699	2899	0	0	0	12997	34124	0	2446	0	7729	4523	3394	256	5794	5379	2515	0	1492	1541	0	10193	11463	7681	4245	5638	2200	0	15769	16859	20287	0	0	0	0	0	328	0	3904	21152	3952	14043	1332	11000	10473	4013	3951	2395	2798	2821	3100	6677	3463	40033	37039	0	5339	10457	5918	7683	4230	2815	0	0	14631	2719	6840	0	1722	10042	Phytochemical	0.41666666	0.7916667	0.041666668
20	C21 H23 O12 N1	482.1293	482.1299	-0.01594054	482.1293	116556	114732	124467	97938	134307	137880	35883	63399	200580	227685	84138	49491	347766	70113	85908	53505	33843	287310	202998	207444	264972	198744	101043	86781	38640	66855	20688	44703	44082	44601	51396	30273	65727	39783	231993	42921	64287	65334	30981	159099	131652	220194	5928	0	1308	419292	570981	2553	43527	61491	111903	118938	121014	771	239487	152313	69261	46557	80037	39945	44619	178590	244002	156408	70617	139875	88782	38757	122364	72774	100989	50490	40986	41130	42045	35703	2040	63855	67941	182583	63843	310086	27627	114582	202173	90423	51651	54432	62835	30390	50769	72150	104148	174774	219039	0	126285	143247	136641	113754	147846	63996	45537	82503	460495	51390	140973	0	38532	276669	Phytochemical	0.5714286	1.0952381	0.04761905
10	C21 H23 O12 N1	482.1293	482.13007	0.05452513	482.12933	57162	47910	39192	45888	51196	24929	18154	38866	54719	94637	67459	31742	76723	19435	28038	35287	39977	66135	70547	87701	129273	110541	38570	41315	12065	14568	25248	30440	23741	28878	30336	28572	38030	23491	130112	32529	42152	25916	35958	78221	110973	27594	1169	0	0	89566	153404	0	40759	32651	53839	45378	34691	0	66417	46838	27902	27179	31217	39841	36420	68826	78981	70813	22251	51161	36250	39827	59471	28748	52847	34844	27131	30148	32017	33966	0	21307	35028	44062	30018	64514	17992	27124	62963	27099	36686	28229	34488	38001	9754	39749	62540	104084	95318	0	51112	62417	42610	47802	41155	41928	25780	39070	94282	42991	41351	0	17894	81881	Phytochemical	0.5714286	1.0952381	0.04761905
18	C21 H23 O12 N1	482.1293	482.12994	0.05283687	482.12933	92956	95064	99710	86236	115670	85223	35469	62116	118558	162883	89193	35703	241458	59473	62757	48450	35846	168380	166124	195884	206254	222965	78265	61924	41980	51284	23880	51941	52428	40146	50565	38213	51066	47272	219175	41704	69681	50153	29506	165119	108226	61762	4263	313	442	276410	340776	535	58144	53489	98381	99730	88568	569	191623	107863	49022	34326	63775	35004	57960	144218	175275	132766	48653	117771	68244	33856	84546	75895	93055	49835	50744	46462	26429	42975	512	44966	74721	126190	54475	227878	35950	59030	125331	89034	56208	53974	45991	32261	40988	80905	92919	154890	210375	877	92800	112313	108115	79148	89283	73955	43703	61772	234386	47494	105231	658	35439	185354	Phytochemical	0.5714286	1.0952381	0.04761905
26	C21 H23 O12 N1	482.1293	482.12994	0.015559006	482.1293	5265	3911	5464	7883	7536	7940	0	0	8884	14947	3568	3118	15585	2902	0	0	0	11469	5255	14895	15395	8257	0	0	0	0	0	0	0	0	0	0	2708	0	12034	0	0	0	0	8926	11761	0	0	0	0	25101	50336	0	0	0	5197	6437	3783	0	8608	6471	0	0	3506	0	0	10157	10835	6197	3135	6639	0	0	8214	13628	7859	0	0	0	0	0	0	0	3575	0	2977	20999	0	3725	10228	0	1908	0	3054	0	0	2180	0	12175	15728	0	6319	6275	5616	4533	0	0	0	0	25123	2397	0	0	2613	17328	Phytochemical	0.5714286	1.0952381	0.04761905
24	C21 H23 O12 N1	482.1293	482.1299	0.057134222	482.12933	6465	7064	7929	7194	9788	8290	0	4618	10189	21755	4040	3101	24385	4839	5580	0	2484	22933	10011	16204	22731	14773	5155	4700	1957	4701	0	3007	1494	0	3015	2078	3945	1527	18893	2685	2168	1749	0	11765	10673	2117	0	0	0	44132	61683	0	1618	4106	9471	10290	6020	0	13978	10425	3187	2078	3714	2024	2453	15166	18340	11095	3300	11500	3419	0	10640	5538	11319	3398	3081	2504	2202	1615	0	2472	6080	7533	3946	30918	2139	5305	14846	6127	2530	2335	4761	0	0	2295	6567	10439	23795	0	7805	8363	7502	6508	6838	2632	2400	3092	41173	1554	8694	0	1344	20320	Phytochemical	0.5714286	1.0952381	0.04761905
28	C21 H23 O12 N1	482.1293	482.12988	0.021720288	482.1293	7286	5686	5830	7630	6653	6574	1781	3685	7489	15804	4146	1626	13686	2904	2519	2024	0	11893	7648	19813	20803	9030	4598	2727	0	6463	1665	2782	2083	0	1421	1292	3258	2291	20463	0	2815	2445	0	11640	10709	3220	0	0	0	27327	39063	0	1494	0	7205	5826	5065	0	6692	4212	2235	1469	2190	0	0	11942	9670	5367	2783	5614	2341	1807	9543	13236	13497	2648	1639	0	0	0	0	2075	3244	8146	2925	19901	2477	4129	9374	4539	3110	1327	4955	1151	2122	3445	3584	6619	13063	0	5737	8470	4849	3829	6403	0	1268	3186	23625	2411	6336	0	0	10371	Phytochemical	0.5714286	1.0952381	0.04761905
14	C21 H23 O12 N1	482.1293	482.13004	0.06275055	482.12933	107491	97014	96376	105222	102434	80079	46563	78891	122937	214634	129006	57358	198700	49309	67396	60593	65366	176415	139496	215722	256796	259022	86418	86766	38800	47503	34267	57719	53688	61818	52526	62469	77810	44404	272144	52847	79451	65852	49978	154165	173614	64476	2772	0	0	253803	415614	0	62766	59708	105233	95917	73604	0	168807	104959	55775	72940	112706	52042	58132	149886	182789	130198	55250	121701	62647	51417	97315	74631	92860	60480	68311	62446	48043	52777	232	56870	68182	179336	59610	196725	41047	66689	113819	73636	62848	57439	60338	60234	44694	71778	114964	200367	219267	570	106950	120023	91345	84266	98455	93954	56227	90763	416581	75878	105244	0	44266	146966	Phytochemical	0.5714286	1.0952381	0.04761905
16	C21 H23 O12 N1	482.1293	482.12997	0.06695814	482.12933	94422	100675	102559	104346	104008	80840	35796	71797	122637	206343	91089	44113	208851	46998	75275	69337	52089	190432	166420	208033	225982	217429	96034	71463	38360	42297	31107	43751	50873	56626	54058	41093	66161	45176	243702	59676	78748	57117	40185	144613	122221	61415	4457	351	0	267666	368490	679	57665	65286	97086	96885	89706	801	167707	101037	49012	50152	79280	45061	64824	138221	192874	123262	53428	112239	73761	37894	106985	81103	78786	61932	50379	57944	47780	49991	444	50136	75694	153827	55568	209146	36065	79270	120579	77608	59362	51499	59989	55974	47188	96446	99814	184710	234190	679	100349	126106	89774	82495	99091	75004	49346	64251	272042	69010	106786	403	36123	206149	Phytochemical	0.5714286	1.0952381	0.04761905
8	C21 H23 O12 N1	482.1293	482.13013	0.04270519	482.12933	23526	24808	20646	23181	20710	9242	7385	11725	25806	43201	28397	11870	36341	5664	9855	14836	16445	19195	28758	35375	49269	46213	16083	20635	3042	7242	7190	6141	6841	12557	8908	11292	12310	9333	57833	9596	11302	11323	19231	28017	44294	13394	0	0	0	25091	65195	0	10700	15361	20906	22021	13861	0	33321	21231	9643	11015	9304	20159	28644	21079	47824	29033	8518	23449	12871	18847	20353	11523	26153	12052	10338	8513	15043	7105	0	8747	21336	19033	11069	22103	7249	11721	30651	15775	12876	14690	14617	21747	0	10109	23154	33843	45184	0	19668	28337	23576	28242	23551	17945	10234	14939	23999	17961	17582	0	7561	42786	Phytochemical	0.5714286	1.0952381	0.04761905
22	C21 H23 O12 N1	482.1293	482.12997	0.0821135	482.12933	18377	20631	18353	16272	26490	16254	5259	7958	29446	40805	11560	6031	35673	9571	11901	8077	5907	40979	19234	34965	43831	34614	13501	10536	4278	8663	1756	4836	6542	6637	4180	6448	5816	5222	26480	6683	9150	8575	3710	27704	20343	7875	0	0	407	84130	105044	0	6756	4108	15589	12850	18658	293	32702	23995	13434	4758	8962	5577	7407	24035	34221	25811	10899	25805	8269	4614	20405	10726	13946	6526	5403	4572	5081	4415	676	8646	8455	21829	10635	65526	5650	9989	29231	15606	6421	7263	10070	3616	2568	10380	9987	30323	43548	0	18034	22631	19628	16985	18164	7846	7779	9329	85255	6466	23620	0	6148	43220	Phytochemical	0.5714286	1.0952381	0.04761905
12	C21 H23 O12 N1	482.1293	482.13004	0.025762849	482.1293	87191	75445	80914	79761	63731	45106	35972	69682	91578	160915	105516	46638	119363	29542	43101	51734	57226	112662	118046	156479	207833	198376	66766	63665	21330	35587	29562	56182	53115	44781	48279	44676	65838	42953	225571	42348	53570	53130	43652	131168	198663	49677	1523	0	0	195097	345017	0	45762	60598	77871	85126	56229	274	130755	79339	37455	51961	75742	61770	52889	129339	149260	90627	35645	94691	56441	51390	82278	58253	88920	52239	45379	43870	49146	35031	0	47871	50982	127700	50402	138185	34352	53013	83329	54914	41985	43441	48950	65047	28784	55832	76838	176101	129543	0	84583	95611	86714	62797	70902	74816	47214	56411	259065	54281	72390	0	27493	128896	Phytochemical	0.5714286	1.0952381	0.04761905
14	C20 H23 O11 N3	482.14053	482.14127	0.14439805	482.1406	73414	69811	57706	78276	47265	41546	30313	57539	84392	161022	61774	39608	98653	26955	44134	57553	25721	79482	79922	96728	119489	165940	56674	54031	27745	24990	29244	0	35701	42061	42351	0	55751	42476	184712	36359	54805	43360	28533	92667	77366	31266	0	0	0	164610	167326	0	48206	0	69086	60247	43670	0	88524	44001	35040	52184	37348	25966	0	66001	94681	70267	30780	64735	36980	29085	37392	46518	58444	45009	46725	44083	30934	44979	0	46690	48025	47026	46505	120793	29890	51302	53000	27732	44899	37910	32341	46310	19092	51799	48783	88532	102270	0	70818	65044	58650	49621	39593	33658	36202	52727	149338	41366	40958	0	28985	97593	Peptide	0.55	1.15	0.15
10	C20 H23 O11 N3	482.14053	482.14136	0.04730236	482.14056	14886	20484	16994	16066	8853	9508	7452	16453	14896	8247	10059	15853	19037	3519	12903	14890	17018	13657	18399	14192	18044	34612	18046	18562	5695	0	8923	0	12803	11011	13422	17218	22915	10256	21819	17433	22540	12300	19242	17692	18774	9369	0	0	0	19091	25107	0	15405	12684	19252	15530	10894	0	19081	8782	7513	16488	21879	17634	15806	11211	27822	19892	7498	13709	14693	22978	0	0	5095	13558	14130	13584	13606	11082	0	11418	10950	8323	11564	11854	6666	4459	11943	6741	13566	10942	10589	23623	7272	14875	31206	17346	11571	0	16270	17502	8162	10378	8430	19650	15732	17332	14842	18001	6362	0	7785	24522	Peptide	0.55	1.15	0.15
8	C20 H23 O11 N3	482.14053	482.14136	0.067293964	482.14056	14919	13129	11268	16827	7242	4432	5332	11695	14227	12299	7347	13202	16458	0	10684	15678	18500	16251	20605	9289	14632	24489	15651	17496	3201	0	4544	0	10018	8386	12566	10119	15438	9680	16295	10402	16554	9176	17392	11682	25254	9175	0	0	0	14617	28879	0	11735	11047	16015	15380	9273	0	17993	9939	7768	9897	13068	13559	12522	10337	24911	16314	7747	13525	10087	18704	3896	0	4195	10471	10956	8739	11162	11205	0	8237	12349	5425	11070	8891	6994	3646	11605	5762	9776	12025	11430	22603	0	10549	26632	13917	8910	0	18190	14787	5782	10638	7510	15692	10076	16454	10893	16444	8484	0	5900	25308	Peptide	0.55	1.15	0.15
12	C20 H23 O11 N3	482.14053	482.14133	0.048070356	482.14056	7605	11096	8854	11304	7827	8111	7464	13605	9406	0	6708	12945	12073	2494	13935	11832	16734	12346	12663	10177	13247	17572	11961	14540	7095	0	6808	0	10902	8558	10904	7564	14924	9080	13781	10947	12658	16100	12400	11145	17624	7807	0	0	0	16800	17061	0	9972	10960	8664	5840	8263	0	18663	7167	6254	7904	11855	10911	0	14016	16510	14074	6857	14223	6999	23409	0	0	0	11069	8906	8914	8467	9696	0	10967	10116	0	9194	9295	4571	4235	7528	5377	10331	10640	9167	26224	2630	11364	19053	8043	9600	0	8591	9479	3826	5061	0	16938	11416	6732	0	15243	6925	0	6739	21103	Peptide	0.55	1.15	0.15
20	C25 H23 O9 N1	482.14456	482.14517	-0.003561638	482.14456	11757	11498	13316	13469	9593	8542	3023	2431	12966	81083	54273	3096	14733	7855	2686	5470	2012	10266	13538	46059	57597	33692	3801	6785	4744	54231	2311	37712	2681	0	2438	0	7982	3894	87780	1520	6748	3339	4364	43347	30811	6954	0	0	0	34026	33860	0	3221	2099	14370	14681	9042	0	12306	6745	4147	6714	2752	6280	4539	24947	15505	8780	7279	15911	5961	3179	55574	79501	87601	3166	1381	0	1758	1499	0	2845	7266	35767	5326	21737	6118	30857	15195	5707	6895	4903	4192	8934	9237	17804	6941	43826	49997	0	14264	14441	11743	8607	11957	5235	2159	7654	23464	4658	10051	0	2298	17317	Phytochemical	0.36	0.92	0.04
18	C25 H23 O9 N1	482.14456	482.1452	-0.009885344	482.14456	13449	15800	15847	12700	14085	5787	1930	0	10002	64096	51265	1099	16390	8113	2401	6307	2963	11869	17744	47426	58895	23197	5786	7064	3486	58347	3289	39452	0	2413	2530	0	6816	0	83390	0	6095	2535	3446	39394	39226	5716	555	0	0	26679	24751	0	0	2236	12118	18320	5848	0	13090	7850	6105	3903	2571	3999	5721	26185	15980	13196	2965	11300	6513	3272	58936	74862	82890	2414	1653	0	3983	0	0	1461	6985	30861	5538	19697	2795	29539	12265	5271	7084	5270	5846	10068	15356	10764	7566	30958	53790	0	8295	15943	8702	12035	9857	4373	1942	4207	19265	7952	9223	0	3955	8535	Phytochemical	0.36	0.92	0.04
22	C25 H23 O9 N1	482.14456	482.14517	0.00813125	482.14456	8980	12367	9377	8546	8710	4875	2597	3028	11200	46762	30647	984	6636	6595	2520	3254	0	8997	12752	26347	36777	25379	4039	3621	3776	34390	0	28703	0	2108	0	0	4704	0	55646	1764	4942	2181	3778	28464	30156	1481	0	0	0	27243	34707	0	4316	1509	11120	10319	6766	0	14151	6575	2926	3324	2369	3340	4317	21803	15670	6386	4389	8960	6819	2375	44410	52942	65997	0	1414	0	0	1650	0	1326	4330	15048	4997	17110	3571	23518	10754	4171	5119	3649	4859	3223	6611	8035	6853	43899	35327	0	10986	9887	5974	5928	5098	4798	0	4860	21703	3595	5072	0	3637	15352	Phytochemical	0.36	0.92	0.04
24	C25 H23 O9 N1	482.14456	482.14514	0.023585143	482.14456	6996	3946	4818	4396	3522	3560	0	1264	3790	24057	15214	1120	6571	1057	0	1639	0	5354	5722	14284	12734	13430	0	0	0	14113	1333	11540	0	0	1197	1382	0	1852	31794	0	1718	0	1262	14211	14946	2754	0	0	0	14099	24186	0	1316	0	4558	5429	5453	0	5154	3087	1260	2364	2803	0	1574	10763	6154	4048	1736	4703	3516	1581	21293	23442	25303	0	1209	0	0	0	0	0	2231	7067	2102	12908	0	7998	5265	0	1892	2131	2115	1735	2271	2111	2410	17112	16292	0	4695	4167	4496	4819	2747	0	739	1949	9687	1275	3204	0	2698	7989	Phytochemical	0.36	0.92	0.04
18	C22 H27 O11 N1	482.16568	482.1663	0.028911117	482.1657	605166	588123	566895	547374	522708	455445	264438	637911	546846	1377213	542196	1515	928887	297957	490395	535470	293988	853494	855720	1441506	1291665	843519	526392	599354	425826	795525	231375	418914	591990	530270	516067	497811	519528	464343	1475058	548613	561276	366894	262281	1050694	558612	376206	27063	1740	1887	1554708	1199739	1587	2027	0	611085	620412	409935	3549	832455	474417	286086	425615	503844	268224	505935	706768	716283	529932	254745	542316	392787	232917	746091	1018526	816891	521205	461406	575475	319245	472656	1449	382503	400584	501021	369483	916557	327774	558615	548001	409758	329856	291687	340373	206616	448800	595329	708576	526854	919299	4755	647253	694506	517314	353205	437628	0	309768	628734	925551	1545	437829	3225	290990	724452	Phytochemical	0.5	1.2272727	0.045454547
28	C22 H27 O11 N1	482.16568	482.16635	0.06631713	482.1657	9683	5743	5406	6412	7271	7496	1812	4786	6569	22974	5158	2527	12483	3510	3844	4336	3048	9527	7943	28549	25294	5417	3560	7597	3125	14008	1173	4729	3803	2490	2080	2965	5292	4109	22695	3476	3190	2246	3827	12419	10414	2145	0	0	0	20490	22749	0	5568	6184	6096	5986	6570	0	7690	4902	2534	4256	1546	2077	4041	10133	8728	7093	1622	6010	5016	2602	12366	29148	23896	6492	2151	4713	3370	3384	0	3489	4396	3462	2278	10756	2687	8985	8279	3145	2552	2425	2605	2232	4606	5118	4070	3838	8376	0	6473	5163	6392	4088	3832	3160	1457	6066	11100	3935	6630	0	0	9449	Phytochemical	0.5	1.2272727	0.045454547
26	C22 H27 O11 N1	482.16568	482.16626	-9.39221E-4	482.16568	6390	7744	9305	8451	10156	9646	0	8441	8923	27857	7155	3764	19312	3300	6344	0	0	16740	12366	33963	29234	7340	6035	6845	0	13643	1835	4239	6278	0	4487	3965	4331	3797	20884	0	6916	4636	2555	14122	12645	0	0	0	0	29213	33269	0	6749	6042	7217	10990	6470	0	13136	7005	3121	4845	4861	0	5328	11456	12187	10061	3218	8224	3302	2151	14269	26734	18394	5681	3336	0	0	4274	0	3206	4321	0	6181	11191	3116	10316	9797	0	3587	2772	2884	0	4306	4113	8364	6470	11305	0	8773	13324	7290	4426	8737	0	3020	5343	15535	3283	4751	0	2516	17042	Phytochemical	0.5	1.2272727	0.045454547
22	C22 H27 O11 N1	482.16568	482.1663	0.002630838	482.16568	88080	103842	78664	95468	99806	84558	23312	82330	109332	209508	66902	56082	145110	59498	70144	69942	36050	156750	107740	213996	219894	99594	71556	75142	53742	120966	25878	48566	71472	0	71346	53196	46824	50814	171828	74626	60020	54556	35796	122306	93628	47240	0	0	0	258202	273094	0	59713	69538	89912	85092	75338	1288	139054	79592	50656	43400	47644	34850	59496	114154	139302	101722	37426	94796	54588	30434	127264	179908	152718	0	0	63270	39804	55700	1046	51846	70436	57428	59450	165468	46334	96828	130598	66194	48736	41392	50528	33046	41562	66826	71842	70460	115918	0	84674	79372	87612	81072	81958	56002	50104	83266	199024	63260	94216	0	46670	159336	Phytochemical	0.5	1.2272727	0.045454547
24	C22 H27 O11 N1	482.16568	482.1663	0.04363286	482.1657	17601	15815	14211	22449	17413	15681	3356	13914	18812	50406	15585	8207	43820	8266	14523	13217	6778	32293	27791	42854	49484	16274	14334	18815	6590	21202	3572	8261	9868	9480	7696	8003	12943	9626	40044	8548	12132	7956	4860	26441	22476	7051	0	0	0	52004	60720	0	9922	13950	14952	18329	11692	0	23086	20619	5888	7985	10548	6846	12569	24073	24096	15264	6398	23722	6231	4956	26538	37054	34183	13997	10152	10582	8671	7357	0	11523	14447	6794	16316	34813	7501	18682	30377	10612	11501	8626	6696	6720	6523	10692	9200	14618	21584	0	20114	18511	14359	14397	15516	9506	6815	10556	35906	10603	18147	0	4500	40099	Phytochemical	0.5	1.2272727	0.045454547
14	C22 H27 O11 N1	482.16568	482.16638	0.037738413	482.1657	385700	364220	340045	357743	224150	201623	244482	399142	273626	800831	476575	218486	325766	145178	306982	330525	235338	351299	374348	538277	783369	553911	318478	404573	235554	387185	195335	334185	328247	352663	320790	422494	387063	278320	1031937	382834	335979	247884	236431	557708	454232	195607	8927	508	0	675493	611354	481	324949	362118	377926	355510	210905	672	378208	217365	147951	352445	526176	229044	450473	406286	346710	283667	143483	263291	205594	217075	451267	509052	448972	345340	323436	387265	210817	193312	228	248852	278680	302970	242090	271263	259189	199425	270243	210832	243614	174194	200768	268995	254451	348133	399202	317027	322970	1655	395497	412523	234656	179399	194224	372089	237202	512128	572758	267821	211511	535	214342	323364	Phytochemical	0.5	1.2272727	0.045454547
8	C21 H27 O10 N3	482.1769	482.17767	-0.032364808	482.1769	38779	38432	33273	35192	12970	15508	21937	40779	19335	24709	18662	26234	27205	4309	30079	43616	28988	19695	31486	33325	29339	53960	32499	49298	19412	1980	18651	10811	33252	32887	31222	38664	34882	26593	37924	34813	45581	25954	36287	36092	37116	16577	0	0	0	53375	34713	0	38169	31172	34397	34596	15769	0	29945	10619	12860	43923	35658	28869	44661	22805	24406	18473	11972	20972	20580	41291	5538	5101	5533	38543	31431	30888	19162	33287	0	21022	27875	10368	22226	18330	23835	14840	13949	11986	25061	18708	21924	50601	34819	54806	65789	26740	28420	0	38052	33433	12444	12675	11449	45283	24904	41324	22884	36601	11715	0	23300	29459	Peptide	0.47619048	1.2857143	0.14285715
12	C21 H27 O10 N3	482.1769	482.17764	-0.012731238	482.1769	29111	24961	33672	29786	7633	15207	31077	52536	15076	22331	12668	23231	14753	6596	40086	29465	33953	26164	33531	34621	22204	52277	42066	41048	31550	0	18574	0	39380	25873	38620	37200	45264	35065	39123	38966	34620	32207	34012	32722	24329	19012	0	0	0	35882	21020	0	36246	40428	31735	34732	17658	0	24964	7435	12623	40942	61091	29350	29070	30264	22456	17968	10575	22506	22681	32858	0	10703	6159	43508	32291	38569	23928	30610	0	31218	24899	0	21146	20458	28169	12457	12802	15614	28582	18297	19705	52605	32861	54195	67465	18175	15676	0	38584	28535	8465	5531	6801	34539	25382	43488	0	43874	9495	0	30411	30451	Peptide	0.47619048	1.2857143	0.14285715
6	C21 H27 O10 N3	482.1769	482.17773	-0.024002276	482.1769	22068	22223	17156	21539	10100	7357	12802	26677	12529	14273	11720	14079	16680	3663	15167	29222	22639	20501	19664	15697	20044	33089	19133	29386	10407	1060	10761	5080	18109	17404	24483	22680	25756	19268	25465	21540	27482	16982	32777	17005	23096	11111	0	0	0	16762	27139	0	28509	19770	22559	21030	9683	0	17132	8224	6146	28833	16678	17203	31284	12518	17811	16147	6712	14282	12963	33952	2836	4075	6076	18416	19105	19297	9434	15001	0	13798	17063	10531	14091	8619	10021	8835	10996	9166	20388	15973	13343	37706	17892	27391	45552	14161	22373	0	18598	20863	5120	9206	9910	25442	13567	26682	11772	28197	8847	0	12580	19391	Peptide	0.47619048	1.2857143	0.14285715
14	C21 H27 O10 N3	482.1769	482.17764	-0.005116425	482.1769	13707	19455	19291	17572	7943	12938	18841	31628	8925	9540	0	12272	10665	4312	23902	23730	16275	13023	16074	16260	12092	24346	20383	32870	22231	0	12728	0	21466	18182	19041	30163	26120	20389	13221	22692	24945	21626	18761	12283	13764	11839	0	0	0	18133	11582	0	24621	24954	18461	18129	11458	0	10522	5476	9534	33500	43752	13838	31862	16274	12117	10389	6893	11828	12093	19878	0	0	0	23523	13643	20989	14153	14130	0	14437	16224	0	14518	11439	18143	6538	8771	0	21363	13707	16334	31487	23845	31972	48160	7690	9417	0	22406	16307	4249	4040	4564	26068	18041	23588	0	21826	6366	0	17209	14465	Peptide	0.47619048	1.2857143	0.14285715
24	C26 H27 O8 N1	482.18094	482.1815	-0.031857066	482.18094	8444	8602	8191	6271	5425	3863	2381	2503	3516	31272	26743	2332	5662	5775	1872	1795	2592	5227	6771	18036	31293	10102	3183	3525	2561	38016	1445	28835	2032	2573	1771	2677	3872	2589	27314	3324	2465	1720	3191	21332	29703	4277	0	0	0	15387	19906	0	1509	2816	10042	6888	5814	0	6870	4790	3327	3338	4077	2466	4070	15732	6678	4607	2813	6382	4891	1871	38992	39162	57061	2155	1895	2099	0	1479	0	2282	5761	11398	4546	8829	3445	16037	8051	3605	2747	3984	3499	5055	5533	5587	6037	11737	19669	0	6992	10772	7337	5445	3715	3240	1155	3807	9563	2359	3841	0	2493	4628	Phytochemical	0.30769232	1.0384616	0.038461536
20	C26 H27 O8 N1	482.18094	482.18155	-0.054273915	482.1809	22898	23191	18506	17800	15830	8109	5213	7789	10219	58247	56716	3794	10397	12513	4436	10189	6127	9373	15262	55183	62908	26997	5584	13330	7280	80600	4296	55221	4981	6636	7082	7824	11684	7586	67979	5755	9567	6684	5887	48752	53841	6417	0	0	0	30178	28894	0	9255	6288	21460	20411	9035	0	9054	10620	6100	9675	5994	9114	7063	32476	11618	11034	7344	12448	8413	10374	76854	96227	128256	7744	6587	4171	4119	5952	0	4633	9166	30861	5323	14709	5963	54106	8838	8094	13623	10218	10283	13628	18263	12701	22194	26434	30607	0	19882	23964	13073	7222	8376	11916	2532	9359	16944	8027	11747	0	7022	10483	Phytochemical	0.30769232	1.0384616	0.038461536
18	C26 H27 O8 N1	482.18094	482.18155	-0.05089694	482.1809	18699	16454	15189	17178	8626	6839	6562	10510	9278	51903	44227	2636	7004	9556	6086	9034	7261	6317	11709	46490	55936	20904	5020	10996	5075	59534	5491	34133	6200	4381	3467	6470	7369	5459	54580	3059	8441	4668	5852	39212	36298	10522	0	0	0	16713	26107	0	5544	7642	13999	10070	6164	0	7008	8918	5633	3534	2725	7724	8391	26014	12336	6201	2388	8735	9866	8188	56020	94568	82681	4354	4561	3847	5264	6632	0	2050	10697	15541	7286	10989	4299	30258	8707	8616	6707	8618	5268	17767	15478	10614	23739	20481	24948	0	12740	13400	8858	5015	6545	4317	4251	4504	11503	8478	7375	0	7845	6312	Phytochemical	0.30769232	1.0384616	0.038461536
22	C26 H27 O8 N1	482.18094	482.18152	-0.010529453	482.18094	15601	18093	9493	17173	14048	6835	1955	2436	13966	58726	54551	2642	7970	8027	6122	5152	5178	8728	8567	47639	43939	24655	7203	6557	6646	72147	3911	47392	8314	4463	5290	6722	8113	3189	55700	4759	9033	3740	4992	44898	42164	7804	0	0	0	29183	29825	0	5722	4626	14161	16284	8852	0	9628	10498	6113	4850	7626	8380	10482	24554	13607	8476	3462	10956	14790	5572	72419	85591	90088	6773	3003	2855	2878	5112	0	5043	11197	21460	8069	17444	8641	34009	12387	7354	10930	7492	8372	17876	16727	13560	15966	23609	23914	0	15045	14492	9472	8262	9430	9002	4487	10612	17807	6859	9569	0	6290	5945	Phytochemical	0.30769232	1.0384616	0.038461536
10	C26 H27 O8 N1	482.18094	482.18204	0.16417454	482.18103	2923	0	1635	0	0	0	0	0	0	9565	7717	772	0	0	1465	0	0	0	0	7360	8977	4097	893	0	0	15802	0	4724	1185	0	0	0	0	1895	10330	1090	0	0	0	4728	5837	0	0	0	0	0	4926	0	1687	0	0	0	0	0	0	733	0	0	0	0	0	2445	0	1563	0	1814	0	1218	11749	17236	21592	0	0	1435	0	0	0	1244	0	0	0	1851	0	2921	0	543	1455	0	0	2842	0	0	0	3856	5672	0	1785	0	0	0	1328	0	0	0	0	1437	923	0	0	0	Phytochemical	0.30769232	1.0384616	0.038461536
14	C26 H27 O8 N1	482.18094	482.18158	-0.11097991	482.18088	4258	0	3355	4920	4583	4302	0	2108	2874	18602	16589	1426	1449	1721	1115	0	0	0	1869	16311	23136	5746	2929	4645	2133	36838	1857	17145	4389	2726	2588	0	1422	1265	19066	0	2987	0	2316	14963	12709	2270	0	0	0	8486	15189	0	1727	0	6858	3331	2134	0	3465	1693	1656	0	0	0	0	5266	4039	0	1725	4051	3253	1662	16622	37710	35450	1892	3159	0	3015	1513	0	2035	4162	0	1928	5476	1773	8233	3300	0	3572	0	0	7056	4339	4707	4726	7905	12453	0	3620	7023	2736	2673	0	0	1117	0	0	2605	2958	0	3217	4895	Phytochemical	0.30769232	1.0384616	0.038461536
26	C26 H27 O8 N1	482.18094	482.1814	-0.17201692	482.18085	3220	0	2648	0	0	0	0	0	2309	8176	7580	0	0	2973	0	0	0	0	0	5144	6362	3039	0	0	0	12666	0	6481	0	0	0	0	0	0	6549	0	0	0	0	6834	11098	0	0	0	0	0	7801	0	0	0	2393	0	0	0	0	0	0	0	0	0	0	6535	2710	0	0	1756	0	0	18013	14202	22761	0	0	0	0	0	0	0	0	0	0	3952	0	4348	0	0	1954	0	0	2421	1970	0	0	5415	5882	0	0	0	0	2044	0	0	0	0	0	0	0	0	0	2374	Phytochemical	0.30769232	1.0384616	0.038461536
14	C23 H31 O10 N1	482.2021	482.20276	-0.021038335	482.20206	185540	169485	159753	172490	100873	103207	143499	275762	130266	301516	170063	125801	165989	80586	192149	240893	176524	178943	199134	396899	364872	245169	214110	264034	177376	290788	103330	182112	236048	236939	180899	225832	226064	174920	341427	234210	187981	145523	132314	236862	207670	130994	5785	459	370	290935	249941	0	200574	234477	187301	178457	98801	1092	181804	109235	74378	216382	278682	148327	277767	179187	143702	133106	85037	116621	110764	136215	304605	318811	261623	206074	202830	269780	161605	193662	0	161502	143820	158697	146381	158675	151355	148013	147907	118514	143409	117017	104432	174906	177286	197974	279443	129654	190440	1956	198336	226412	98786	95353	105543	229934	135632	316019	208594	165235	120247	467	135091	125994	Lipid	0.4347826	1.3478261	0.04347826
10	C23 H31 O10 N1	482.2021	482.20282	-0.03421915	482.20206	54839	53366	47568	37021	26185	23197	27309	67905	27257	80320	33582	32094	44611	15317	37206	50565	40430	32074	43651	91624	82515	79679	38873	65165	32867	43134	25917	30574	54689	51810	46920	51109	55052	40255	104416	52965	56996	33725	37332	70114	51048	26392	695	0	0	66962	57622	0	54176	56730	42759	46848	25070	0	42905	24785	15300	93916	40431	40233	57058	44670	37275	36802	15441	31546	24268	43270	49522	53190	48880	51522	44574	52589	32688	42923	0	33466	34443	30889	31989	33319	34401	33417	25992	20818	36870	21100	26102	38903	47206	55464	72573	34441	61722	0	46971	50559	19712	21280	25621	51926	25823	75311	36286	40457	24538	0	36847	36794	Lipid	0.4347826	1.3478261	0.04347826
12	C23 H31 O10 N1	482.2021	482.2028	-0.050877433	482.20206	81232	80130	77533	87758	47587	43434	75925	298776	53265	138058	74419	67704	75207	28800	163782	89416	95278	70856	93542	181945	158999	135062	95690	123514	73387	108536	47903	67820	111625	93143	187274	78905	97451	83166	164259	187234	93242	77136	75801	121031	108975	53584	1426	0	0	144148	124594	0	82129	102693	92611	83673	43256	346	85219	52872	34621	90219	105351	78608	85860	97052	68545	51858	26563	60970	51877	88068	118388	138861	120004	85235	83982	106961	71748	74706	0	80049	79570	51198	76526	75428	81029	79466	54432	43461	67839	38226	50800	115948	70253	103612	120741	74876	91051	0	75531	105442	52414	41868	47581	102799	61667	120898	85583	82861	46043	0	67073	66671	Lipid	0.4347826	1.3478261	0.04347826
28	C23 H31 O10 N1	482.2021	482.20267	-0.038060214	482.20206	8859	7641	7082	5967	7265	5660	2614	5234	6400	23158	6337	4024	12411	3165	4819	7618	2978	11289	12691	24826	26684	5418	6226	9732	4867	20462	3390	6013	7361	3358	5768	3885	5532	6308	20608	7193	6002	3744	4451	12393	9475	3104	0	0	0	10629	12403	0	6480	6690	10072	6682	5931	0	7390	4784	2296	6101	2936	2637	6794	7655	11088	4944	2932	8308	3932	2624	17075	34728	24782	8217	5074	3513	5405	5054	0	3889	5800	0	4128	4792	4536	9007	7271	2872	5808	2967	3921	4268	5435	6598	7051	1946	5436	0	6652	8123	3481	4352	5562	5300	2753	5376	6058	5631	2285	0	2737	11448	Lipid	0.4347826	1.3478261	0.04347826
24	C23 H31 O10 N1	482.2021	482.20267	-0.04462403	482.20206	46207	38513	41663	39535	46194	40023	10347	33390	37884	92815	33489	25718	75489	20793	32392	0	16989	0	49254	88505	91694	35608	35947	41759	21006	75254	9776	25525	0	29753	28230	26166	0	34125	87529	32960	37596	23175	20178	53941	40138	17342	0	0	0	62814	63614	0	31671	32335	46200	30297	30091	0	59983	31301	19420	36419	27432	16849	45490	39002	60792	43320	18552	49960	24172	14223	69294	108866	88528	40663	31824	33143	25962	0	0	27638	33414	17143	31857	35483	17581	32810	57453	21188	31125	19795	18712	17231	24942	28131	47268	20412	34459	0	32567	45296	29203	27618	39634	32127	18673	40241	41578	28736	28646	0	0	64600	Lipid	0.4347826	1.3478261	0.04347826
6	C22 H31 O9 N3	482.21332	482.2141	0.011646688	482.21332	11725	14041	10833	11396	4469	5916	10110	20993	6265	12518	2876	6695	8575	2722	12872	16026	6125	9475	11077	10350	8588	20527	11058	18875	13196	718	5128	3384	17583	16679	15795	15579	19479	12349	13359	15718	16441	9429	12070	10954	6641	7007	0	0	0	10149	8381	0	14890	10942	12505	10995	5153	0	10439	3569	3507	18382	11922	7544	17723	6034	8061	7289	3465	7224	8764	11042	1845	4857	0	13265	12075	11139	5409	8525	0	8962	8872	0	7609	5308	7670	5163	4208	5294	10571	6504	9453	19659	30967	37244	32094	6529	9254	0	10639	9894	3086	3371	4521	14237	8551	16826	0	18301	4064	0	8752	9378	Peptide	0.4090909	1.4090909	0.13636364
8	C22 H31 O9 N3	482.21332	482.21408	0.019767057	482.21332	19253	18782	17250	23396	5280	9368	13784	17667	6007	17406	6183	9953	6386	4034	16684	23395	9191	9944	14077	20678	12503	34710	15496	27540	16903	1065	8556	11081	21444	15201	17548	22334	25310	20313	25832	17360	26496	14286	11544	22394	11588	8045	0	0	0	15034	9698	0	20728	17829	17704	21585	8833	0	11944	3057	5407	23781	18818	7202	22307	10688	9978	9223	5725	11524	8956	12638	0	5135	4386	20119	18135	13589	8141	12143	0	11439	15864	7044	11289	7720	12326	9386	4610	4666	12480	9569	11664	26628	95591	150148	46254	8295	16703	0	23835	18303	3847	4539	4992	21366	9462	22068	0	20044	4023	0	12978	12118	Peptide	0.4090909	1.4090909	0.13636364
12	C22 H31 O9 N3	482.21332	482.21393	-0.001445456	482.21332	11700	14253	13340	10986	3369	4577	13936	20807	4821	10134	3108	8735	4138	2436	19232	13372	9822	7648	12522	8546	8823	31075	13032	14506	23392	2483	4654	0	24970	12257	19941	15099	23286	15534	17100	14548	23128	19041	12086	16382	6517	7665	0	0	0	16516	5625	0	17993	11308	10744	9973	5034	0	9921	3058	5698	11490	18147	0	0	7225	5934	5887	3867	5889	10311	10442	0	9855	4753	16088	14002	13481	6361	14806	0	12890	8416	0	9779	6880	19005	6660	2254	6429	12963	6144	7986	15246	22248	32494	45870	7334	7529	0	9481	11835	0	1751	2978	9909	8034	14916	0	23248	3190	0	16274	11156	Peptide	0.4090909	1.4090909	0.13636364
10	C22 H31 O9 N3	482.21332	482.21405	-0.015920974	482.2133	17575	20264	17067	14085	5370	7357	11066	25424	6473	16567	4397	10128	7249	2011	18476	19868	9938	9650	15005	17132	12230	28614	17348	25587	20804	1729	10220	5410	22746	15524	16246	20449	24593	16729	18611	18105	24125	12876	13657	19379	7684	7374	0	0	0	22223	8537	0	25718	13977	19159	17319	6513	0	10166	2631	5055	21022	20073	7034	24756	10260	6754	6645	4650	8378	12198	13598	0	4689	2780	18526	17298	20612	8493	13144	0	14509	14840	0	12294	8113	14755	6361	4200	6783	15216	8374	9881	24417	35964	36133	45219	10321	13953	0	12650	15159	3024	3791	2492	21467	11730	25771	0	22141	4908	0	18877	14209	Peptide	0.4090909	1.4090909	0.13636364
14	C22 H31 O9 N3	482.21332	482.21387	0.050384205	482.21332	7232	8407	9321	8945	2174	4355	7055	17991	4754	7955	0	5002	0	0	12986	12069	3762	5807	6850	8090	6153	8715	12091	17974	19148	1522	5868	0	17448	12303	16196	20892	17017	9941	8893	9466	11006	8173	10364	8824	0	5244	0	0	0	9619	0	0	10898	7597	8708	10798	3903	0	8689	0	2727	13105	12764	0	0	5453	2084	0	4075	6160	6309	6952	0	5204	0	14212	10886	12701	8684	9187	0	9195	8170	0	6103	4814	11590	5601	2425	5746	9954	6387	3642	9668	20959	29363	36883	4498	5328	0	9353	6838	2189	1537	0	12779	8295	12748	0	14106	3906	0	11379	4084	Peptide	0.4090909	1.4090909	0.13636364
24	C27 H31 O7 N1	482.21732	482.21786	-0.053294618	482.21732	10573	12890	14703	13219	11976	8301	1820	9987	11007	24538	37487	4942	8035	4776	3472	13449	7738	6709	10932	30734	34513	12310	5994	14673	6594	66373	1932	39791	7127	7996	8665	9048	8471	10436	25214	8718	10180	3629	5668	31435	37190	8527	0	0	0	17424	15702	0	10962	10773	10114	8969	9317	0	5466	6236	5267	9439	6955	8372	12264	23307	6522	6461	3854	9636	12431	8928	61085	55056	75447	6938	7586	5214	3768	5081	0	5394	8231	12860	8130	11848	7941	22208	10512	6858	11504	7440	10053	16441	13434	13347	17780	17807	17506	0	11956	15226	7727	7364	5500	13364	4209	12022	9414	10995	5534	0	9238	6047	Phytochemical	0.25925925	1.1481482	0.037037037
26	C27 H31 O7 N1	482.21732	482.21786	-0.03568387	482.21732	5930	4717	4912	4748	3131	0	0	0	2541	8761	12352	0	0	2389	0	0	0	0	4479	10258	10657	6604	0	0	0	21248	0	12592	0	0	2818	0	3312	0	6797	0	3563	0	2539	13144	10297	0	0	0	0	7757	8459	0	3347	0	6097	5205	0	0	0	0	0	3556	2415	3343	0	6559	2025	2852	0	3988	3030	3141	31964	20517	29393	3190	2734	0	0	0	0	0	2241	6540	0	4156	0	8517	0	0	0	3663	0	4552	3057	3094	0	5339	0	0	3449	8412	0	3668	0	0	0	0	0	4697	5254	0	0	2766	Phytochemical	0.25925925	1.1481482	0.037037037
22	C27 H31 O7 N1	482.21732	482.2179	-0.065340094	482.2173	21044	14134	16130	18461	14158	8722	6795	15734	11580	36899	44134	8538	10654	9045	8637	20124	13034	11599	15603	48345	44141	24983	9424	16270	13859	88438	6047	43899	11929	14293	10496	16375	14255	15525	34813	12128	16161	9399	12724	45034	52735	12513	0	0	0	22653	24329	0	13054	9668	22274	18350	15016	0	4725	8859	8534	18689	8295	13206	18838	31106	6562	5708	5962	14074	12576	14581	79825	75850	94340	11251	8461	9622	10215	12532	0	8715	17788	23874	10807	14810	10252	29171	11679	9074	18404	13597	11325	26392	22752	21996	35581	23199	23369	0	19144	14605	9019	8160	11222	16356	8640	22561	15064	22746	11028	0	13533	5862	Phytochemical	0.25925925	1.1481482	0.037037037
4	C21 H31 O8 N5	482.22455	482.2253	-0.023049781	482.22452	2218	1774	2091	999	1206	2533	745	0	1039	0	0	614	1845	692	1453	2064	1845	1499	1430	0	0	2246	1751	1859	0	0	1053	4271	1898	1260	1472	1519	1710	1388	0	1771	1717	1563	2529	0	602	786	0	0	0	0	0	0	1525	0	0	1379	639	0	1293	1448	738	2086	984	0	1881	0	1078	972	0	1284	566	3478	0	0	0	1399	1160	1784	0	1395	0	1065	1798	28759	1310	0	462	0	530	652	1657	0	0	3077	14893	8641	3603	1559	0	0	1710	997	588	1271	1138	992	1288	0	0	830	1068	0	1672	1474	Peptide	0.3809524	1.4761904	0.23809524
10	C24 H35 O9 N1	482.23846	482.2392	-0.007344502	482.23846	20690	17495	18463	15901	8523	8923	15342	23809	7086	20398	6091	12502	9709	4179	17404	16443	12661	8823	13273	31010	25717	28335	20388	25623	17728	11004	10600	8658	21939	21616	17924	28231	21003	19844	35814	26463	27819	15319	15936	18863	13615	7371	0	0	0	18406	12286	0	29505	20371	17204	19059	6600	0	11656	5440	4002	24272	4835	9229	19966	11151	7732	9154	6422	10435	8099	15906	9984	15533	13373	20858	21033	26167	14778	17689	0	15286	14064	7465	12761	5442	12526	10567	6714	4645	10838	6201	11619	17394	24276	22588	29651	9505	20478	0	16945	14392	6529	4698	7873	22479	12118	24936	0	22797	4423	0	15301	13739	Lipid	0.375	1.4583334	0.041666668
8	C24 H35 O9 N1	482.23846	482.23923	-0.049748275	482.23843	11802	13090	9746	10369	4427	5262	8223	20016	4581	16603	6123	7507	7154	2719	10188	9894	8871	6689	10764	19910	16989	12962	11589	14503	12212	4670	6443	4710	17634	12497	12040	13557	18090	11522	23472	15497	17584	8102	11782	15334	8029	4036	0	0	0	12608	5107	0	21155	14645	12062	12189	4735	0	7016	4230	2008	14031	3323	3826	17455	6616	8098	5390	2070	6280	6172	9379	4222	10285	10128	15665	13403	12916	8707	11721	0	11946	6784	4085	6883	4391	5727	5910	3247	4202	7485	4665	7989	12361	17363	18195	21984	7974	16042	0	13123	12488	2219	4546	4900	17043	8040	26361	0	11653	2712	0	6384	6290	Lipid	0.375	1.4583334	0.041666668
28	C24 H35 O9 N1	482.23846	482.23904	-0.015682233	482.23846	7637	8787	7953	6659	7494	4212	2462	8156	5732	18819	5362	2389	13732	4141	4715	7246	4712	8809	9444	21878	19870	6495	4671	8637	4590	22396	3039	7719	6777	5935	3664	6043	6852	7563	19418	4523	6943	2980	3708	8013	8120	2983	0	0	0	7236	4669	0	7804	6683	7060	5834	4803	0	8900	5692	3109	8451	2220	3547	8881	2604	11197	5056	2951	7955	3813	3702	19785	36256	33443	6154	3935	6029	4131	4982	0	4996	4833	2696	7292	2699	2905	6491	8327	3531	6222	2523	2752	4069	8134	7057	9203	4828	3703	0	6114	8697	4364	6920	5812	6750	3384	5556	5178	5327	3812	0	4838	10063	Lipid	0.375	1.4583334	0.041666668
22	C28 H35 O6 N1	482.25372	482.25424	-0.12214292	482.25366	13086	8554	9039	12355	4579	3865	3950	7451	3741	9574	18052	6207	1896	4734	3468	14949	12783	3863	5704	16516	16108	9616	8807	13507	7660	34461	4770	18550	7289	7039	8380	9563	10899	7534	8743	9704	11839	5251	10666	15047	30375	5796	0	0	0	8249	9600	0	9674	8464	8834	8989	7356	0	6535	3682	4737	10342	5320	11864	16517	9688	2999	4758	3287	4743	6118	13351	36873	34764	43349	9892	8923	6179	7302	10838	0	5733	13008	9935	7403	5724	7964	13177	4901	2440	14240	8404	8767	25084	12212	15364	19894	8903	6228	0	10746	11310	2086	3865	2617	11277	5064	11192	6888	13997	6426	0	10207	3297	Phytochemical	0.21428572	1.25	0.035714287
26	C28 H35 O6 N1	482.25372	482.25418	-0.035130788	482.2537	6893	5183	7516	6651	6064	0	0	0	2879	6583	15115	0	0	0	0	5347	0	0	4144	10744	10709	5964	0	0	0	34983	0	16386	6430	8562	5064	5282	5658	5586	5054	5813	5451	3034	4992	9749	13867	0	0	0	0	5250	0	0	4986	0	6329	4565	5024	0	4563	0	0	5741	3282	0	5544	9075	0	4185	0	5399	5918	5488	32856	19217	31026	5904	5131	0	0	5094	0	4199	5961	0	3400	3622	5398	11173	0	0	6359	4882	2523	8446	6491	8173	10615	6782	6161	0	7867	0	2982	5121	6165	10221	0	6509	0	6310	0	0	3074	1892	Phytochemical	0.21428572	1.25	0.035714287
8	C21 H39 O11 N1	482.25958	482.26	-0.034166478	482.25958	0	1442	1009	0	6872	0	0	0	797	0	0	0	2232	36101	0	0	0	0	0	0	0	0	0	0	695	0	603	0	0	0	0	0	0	0	0	0	1259	0	0	0	0	0	0	0	0	0	0	0	0	0	0	915	2494	0	0	3795	5147	0	0	0	0	0	1158	0	0	1034	1342	0	0	0	0	0	0	0	0	780	0	0	0	3287	677	0	0	0	1094	0	869	0	0	0	0	0	0	0	0	0	0	1050	6218	2630	0	0	0	0	0	0	7511	0	0	0	Lipid	0.52380955	1.8571428	0.04761905
16	C25 H39 O8 N1	482.27484	482.2755	-0.029182777	482.27484	13959	10822	9357	11850	4072	3157	12285	26804	5419	3456	4592	16131	3642	6803	14383	15280	24149	5430	17691	10061	11528	9832	17916	25086	10141	11612	11366	6308	20274	28346	22713	17254	21129	15721	5378	24610	13409	14013	18662	6524	8524	8875	302	0	0	7468	10259	0	25814	23622	9509	13991	5027	0	9268	6307	5428	18920	5171	11725	21038	6503	6795	5130	5347	4842	11178	22240	8238	12751	7586	15904	20079	24978	26536	14828	0	13597	15637	8638	12463	4857	7782	4848	10693	8417	11804	7089	7810	0	15291	12705	0	6307	10350	0	9181	16479	4033	8583	9706	23511	9820	19172	0	19180	8276	0	11655	6106	Lipid	0.32	1.56	0.04
6	C23 H39 O6 N5	482.2973	482.29782	-0.005095333	482.2973	813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3553	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	651	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35881	0	0	0	0	0	0	0	0	0	0	46214	9199	0	2975	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.6956521	0.2173913
8	C23 H39 O6 N5	482.2973	482.29767	-0.035550635	482.2973	0	0	0	0	1059	992	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1007	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	77384	0	0	0	0	0	0	0	0	0	0	94647	23279	0	3960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.6956521	0.2173913
22	C26 H43 O7 N1	482.31122	482.31177	-0.11873321	482.31116	12135	7919	13372	14666	9010	7606	21116	15209	14131	3922	5002	12047	9029	10603	16015	19013	23765	12334	22258	10770	11595	3756	11968	11887	12492	7406	16905	7941	18838	20829	9616	17354	17209	10054	4421	25519	13103	11735	24714	7742	2774	7672	0	0	0	6036	5961	0	17425	19118	16199	11346	7987	0	11465	12254	9053	21413	5714	5815	23698	2437	9218	13973	5903	13375	10004	25681	7585	9142	7579	9809	13674	19645	17731	21998	0	11832	11067	8421	8872	3750	15402	8386	21899	12553	21934	10323	9698	14979	14639	16497	12394	2726	4225	0	9218	14829	9575	12233	18808	23705	10252	12137	3837	9407	15715	0	11928	9877	Lipid	0.26923078	1.6538461	0.038461536
18	C30 H43 O4 N1	482.32648	482.32648	-0.101694524	482.32645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11081	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61207	0	0	0	0	0	0	0	1305	0	0	0	0	0	0	0	0	0	0	0	0	1223	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1665	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13333334	1.4333333	0.03333333
26	C23 H47 O9 N1	482.33237	482.33295	0.0738901	482.3324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7935	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8506	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15111	0	0	0	0	0	Lipid	0.39130434	2.0434783	0.04347826
26	C27 H47 O6 N1	482.34763	482.3477	-0.0854763	482.34756	2860	0	2047	0	0	0	34246	0	0	0	0	0	0	4301	0	0	5354	0	0	0	0	0	0	0	0	0	28824	3257	0	0	0	0	2548	0	0	0	2070	0	0	0	0	0	0	0	0	0	0	0	1959	0	0	0	0	0	0	0	0	3478	0	0	0	0	0	0	2958	3799	6555	2757	0	0	0	0	0	0	0	4086	0	0	0	0	0	0	4852	4169	0	0	6377	0	0	0	4367	3116	0	0	0	0	2006	0	0	3775	0	0	0	0	0	0	0	0	0	0	Lipid	0.22222222	1.7407408	0.037037037
28	C24 H51 O8 N1	482.36874	482.3691	-0.15792435	482.36868	6003	4542	4594	5032	810	0	3680	0	1053	7322	8765	1579	0	2268	0	3881	2536	0	0	0	0	0	0	0	0	71644	3902	13215	0	0	1478	1356	1064	0	5523	0	1244	1191	2178	9792	12479	2604	0	0	0	3592	8206	1112	1587	2450	4202	5534	0	0	2028	0	1043	2043	94912	9044	0	15009	0	0	2046	0	1688	1630	87480	36037	41237	1794	1450	0	0	0	0	1213	3940	8779	4058	3650	3334	3433	3682	2610	5979	1441	1206	15181	52533	23733	0	1663	0	0	5168	6090	1478	5179	5882	0	0	34896	217892	932	2728	0	4396	0	Lipid	0.33333334	2.125	0.041666668
24	C24 H51 O8 N1	482.36874	482.36945	-0.1644987	482.36865	0	1517	1554	0	1185	0	0	0	0	5121	2293	0	0	5766	0	0	1461	1180	0	0	1571	0	0	0	0	0	1550	1883	0	0	0	3521	0	0	1891	0	1423	0	0	0	2395	6236	0	0	0	0	3033	0	0	0	2240	1056	0	0	1195	1101	3288	0	0	1656	0	0	4005	1042	0	7334	2636	1546	0	0	0	0	7162	4741	2726	0	0	0	10152	1302	0	0	0	0	0	0	0	1518	0	0	3050	25570	0	0	0	0	1203	1098	0	0	0	0	0	5376	1684	1008	2174	0	0	0	Lipid	0.33333334	2.125	0.041666668
18	C24 H18 O9 S1	483.07443	483.07553	0.53806084	483.07468	7757	8097	4949	5922	23000	9361	0	0	23916	6013	3069	1288	58087	5695	2891	0	1792	27885	18754	2021	4985	13744	4347	0	0	3416	2042	0	0	0	0	0	2914	0	5962	0	3144	4120	0	4808	7877	5806	738	0	0	4786	16735	0	0	0	6905	4099	11693	0	23897	18013	6354	1975	2745	0	2017	6142	58382	22085	6749	28210	5464	1757	3040	2507	1837	0	0	0	0	0	0	1997	5344	8367	4931	13839	0	1637	28344	6364	2693	4464	5745	1980	0	0	2339	17121	8177	0	3867	3738	20628	22876	20371	0	0	0	14859	1942	17026	0	0	44656	Organosulfur	0.375	0.75	0.0
14	C20 H18 O14	483.07693	483.0777	0.16357486	483.077	11108	12415	9400	8790	39861	13540	0	0	47781	3618	8877	5266	57685	10424	3638	0	0	20174	22351	3439	7046	29628	7988	0	0	0	0	0	0	0	0	0	4759	1273	6038	0	2691	4956	1290	2752	8010	8309	0	0	0	4692	28447	0	0	2192	8495	9011	17707	0	23197	31421	13636	1835	0	0	0	2389	76514	35357	12927	41693	9050	0	0	0	0	1073	1329	0	0	0	0	2803	6899	14901	4236	8394	0	0	38674	10303	5772	11214	11926	5747	0	3263	0	32998	10494	0	12713	6664	33804	51622	35771	3813	4057	0	0	4197	29825	0	1082	57482	Phytochemical	0.7	0.9	0.0
16	C20 H18 O14	483.07693	483.0777	0.21331383	483.07703	7893	6265	11332	13820	39921	12869	1552	3510	39190	4864	6080	2657	59627	5595	2954	0	2006	30951	29757	2711	12942	17789	7099	0	0	0	0	0	0	0	1980	0	2153	0	6435	1515	3001	2400	1409	1648	7909	5843	0	0	0	6619	20432	0	0	0	9387	11107	16213	0	26285	28587	10718	1898	3036	2992	0	3329	75060	32899	9776	35382	11024	0	0	0	0	0	0	0	0	0	0	1174	8022	14379	6936	14623	0	0	35918	9811	5643	5933	10579	0	0	3512	0	23769	7983	0	8906	6284	33187	42754	38729	1956	1971	0	20132	0	24314	0	0	75065	Phytochemical	0.7	0.9	0.0
12	C20 H18 O14	483.07693	483.07776	0.12224482	483.077	5671	5311	5775	8479	23742	8344	0	0	31385	3263	9083	4930	40996	3984	1183	0	0	15177	16568	0	6124	22351	4330	0	0	0	0	0	0	0	0	0	2945	0	4921	0	2371	0	0	0	10305	5485	0	0	0	4191	19466	0	0	1038	5942	7517	11642	0	18418	24126	11366	0	0	0	0	5712	56936	23179	9043	28447	7454	0	0	1178	0	0	0	0	1249	0	0	2105	6384	0	5352	8254	0	0	28510	6284	6123	6384	5212	0	0	0	0	17841	4185	0	6604	6504	27837	42285	34967	0	3979	0	0	0	20643	0	1577	42922	Phytochemical	0.7	0.9	0.0
10	C20 H18 O14	483.07693	483.07785	0.13591501	483.077	4478	3015	1944	2792	9345	2966	0	0	12589	1126	0	1926	19985	0	0	0	1705	9975	8597	0	2244	5640	1880	0	0	0	0	0	0	0	0	0	0	974	3281	0	0	690	1352	0	2876	1651	0	0	0	0	6488	0	0	0	4570	2930	3946	0	8969	14710	4929	0	0	0	0	1516	28754	13085	3724	15415	3581	0	0	0	0	0	0	0	0	0	0	0	3083	0	2968	2655	0	0	15580	4236	2609	4628	0	0	0	0	0	9623	3097	0	1737	2907	11934	30115	18585	1659	800	0	0	0	11639	0	0	20596	Phytochemical	0.7	0.9	0.0
20	C24 H18 O11	483.0922	483.0928	0.05723657	483.09222	33009	27572	25295	26893	23878	27180	5174	3386	43405	74169	36489	3925	55586	23391	9627	5685	2361	44410	38301	39014	53244	69459	8080	3092	4275	30497	5075	13531	1982	1832	3291	1465	3743	1509	99738	0	6856	8480	1663	30779	25860	7997	629	0	0	30023	46129	876	2180	1698	24529	24275	17669	0	39044	31792	18960	9924	5792	3992	3218	20072	73169	35605	19942	42071	12567	2688	37150	38315	46804	1301	2202	0	1495	2705	0	5458	27627	47905	20406	27487	7640	33184	48493	23910	23935	9964	14627	7023	11575	16098	6648	63495	84448	0	31022	22456	39896	39983	35178	4259	4361	9485	31899	5434	33990	0	5591	50017	Phytochemical	0.45833334	0.75	0.0
18	C24 H18 O11	483.0922	483.09283	0.03374279	483.0922	26172	23623	20987	26301	30634	15616	2914	0	38172	80616	43678	3223	44640	13951	4856	3068	2729	28534	33921	53195	59100	68206	9623	7403	5567	32795	3890	13687	0	0	2127	0	6686	0	103859	0	3764	9941	3584	31236	27251	5673	532	0	0	28014	39063	0	2241	3185	19604	23915	21030	0	35830	33921	13022	6462	5920	4305	5698	21360	64030	30123	14417	37312	13347	2951	23870	38959	53653	0	0	0	0	0	0	2029	27997	46654	17595	39609	3822	19004	41726	20065	22342	9967	13231	7209	8189	8617	7403	64392	79221	0	27391	22811	36810	38204	36343	4477	3753	6132	34860	3936	22073	0	6144	43985	Phytochemical	0.45833334	0.75	0.0
28	C24 H18 O11	483.0922	483.09274	-0.007059034	483.0922	7320	4921	4216	6106	8365	3763	1570	0	10197	14744	3689	1743	18281	4036	3335	2322	0	15894	13162	8118	5301	17411	2874	0	2765	6119	1516	1447	0	0	0	0	1086	0	18652	0	2073	1983	1180	4750	4761	0	0	0	0	3865	6252	0	1110	0	7530	4136	6071	0	13393	8867	3289	1491	1303	0	2122	2769	19698	10640	3161	10894	2796	1288	7242	10960	13615	0	0	0	0	0	0	1824	7600	10145	6295	4168	2035	2994	13635	8068	6206	3204	2300	1854	1986	3268	1938	19990	21507	0	5771	5704	6570	9353	11253	0	0	0	5098	1190	7148	0	2855	19248	Phytochemical	0.45833334	0.75	0.0
22	C24 H18 O11	483.0922	483.0928	0.030347478	483.0922	18017	13184	16614	14700	36077	13600	3641	1481	38052	49456	23575	3000	46453	15436	5114	5729	2253	34747	27390	23427	33767	56362	10015	6472	4631	23126	4258	10700	0	0	1147	0	6296	0	68437	1144	5771	7407	2059	12679	17451	4742	0	0	0	19897	29432	0	0	1696	17230	24374	20566	0	32869	26804	10776	6005	3938	2687	3925	10609	61571	29065	12407	30634	8020	1751	23329	26906	28128	1782	1419	0	0	1793	326	2710	20890	33512	11839	21370	2522	9061	39481	17466	14246	7394	10942	8995	10141	6163	6992	57706	68698	0	16661	16593	30328	30930	27221	4803	1624	7504	23280	3915	25250	0	6151	43375	Phytochemical	0.45833334	0.75	0.0
26	C24 H18 O11	483.0922	483.09277	-0.02299257	483.09216	9037	5127	6932	6082	13868	6625	0	0	19232	22262	8098	0	17845	4875	0	0	0	23904	19760	11062	12751	23150	0	0	0	5444	0	0	0	0	0	0	2218	0	32051	0	1666	2994	0	5014	6062	0	0	0	0	5498	7672	0	0	0	5985	9411	9878	0	20863	14244	3913	0	2600	0	0	3617	29270	15455	6044	18910	3838	0	0	15873	21721	0	0	0	0	0	0	0	11306	9681	9970	7129	0	3671	24727	9067	4813	3398	6083	0	3897	2991	0	21670	45490	0	7282	6785	10964	12878	11821	0	0	0	0	0	13666	0	0	25522	Phytochemical	0.45833334	0.75	0.0
24	C24 H18 O11	483.0922	483.0927	-0.051967453	483.09216	9288	11234	11917	11288	25590	8929	0	0	17406	27386	11442	2035	28877	8390	6561	3081	0	28254	27350	12812	17548	32060	5821	4828	2506	16145	1618	5445	0	0	0	1286	2926	0	40703	0	4006	4370	1442	5944	9320	3217	0	0	0	13696	14293	0	0	0	10057	10433	15197	0	22421	15530	6540	3153	2036	4323	1535	7462	28897	20881	7769	27126	6140	1559	13243	18386	20663	964	0	0	0	0	0	1773	16834	21407	12515	11398	2966	8116	33228	9332	13547	5136	6411	4336	4604	2233	5027	31257	46134	0	10369	7797	16976	23764	23844	1920	1102	4107	10189	1387	20135	0	4671	29696	Phytochemical	0.45833334	0.75	0.0
14	C24 H18 O11	483.0922	483.09296	0.14082184	483.09225	5586	6186	5057	4994	10723	1942	0	0	12195	40113	19526	0	14669	5403	0	0	0	5691	9980	13207	13341	16208	1788	0	1437	11588	1906	0	1403	0	0	0	1532	0	45312	0	1853	1299	0	8746	11571	2303	0	0	0	9199	20358	0	0	0	5467	8950	7798	0	5948	8722	4536	0	0	0	0	6002	18022	6863	2732	8276	2861	0	0	16515	20655	0	0	0	0	0	0	1117	5808	0	4526	12554	1382	4125	16560	7703	4917	4412	2290	0	0	0	0	23665	19336	0	5488	2845	8957	14029	12332	0	0	0	15806	0	5942	0	2228	11444	Phytochemical	0.45833334	0.75	0.0
16	C24 H18 O11	483.0922	483.09286	0.07713244	483.09222	9891	14820	14290	18356	19516	8573	4681	0	21007	58552	27471	2532	25735	10835	3830	3420	0	17589	20134	36787	28940	38162	9446	3869	1596	23926	2085	11447	0	0	1193	0	3562	2311	77541	0	1740	3160	1698	13591	22763	3137	0	0	0	18376	29590	0	0	1681	16571	16530	11380	0	21954	18295	10191	4821	3772	4091	0	11791	40141	21026	8646	24763	3210	1599	23503	26463	37282	1317	1450	0	0	1476	0	1062	12239	22414	6359	22783	2052	11070	26732	8883	7330	3542	4539	0	0	8096	0	49912	49131	0	10845	9211	21507	23783	24797	4397	2009	2382	15410	0	20756	0	3344	31230	Phytochemical	0.45833334	0.75	0.0
16	C21 H22 O13	483.1133	483.11404	0.08136437	483.11334	176595	118446	143016	147228	214564	119292	19194	35568	261482	311958	191073	31128	338939	56069	51390	39957	51002	310665	277566	281521	384025	568021	90551	65661	20931	75846	35115	92305	29237	25598	67267	36137	53080	82713	470623	28446	95376	111001	24534	348861	329431	44566	1827	0	0	269327	467385	0	40665	46080	139527	124390	112295	0	276635	158337	77980	65743	54956	20800	34159	199226	399196	288233	61913	228609	83427	50845	145986	137157	225726	39581	37948	26838	22614	50458	0	60425	167118	328640	85418	356307	18434	158830	197741	85151	95162	86832	47557	0	90668	146570	67524	456436	511968	468	133963	66737	204467	187568	128595	38787	53409	90824	308992	49650	153574	0	59867	382796	Phytochemical	0.61904764	1.0476191	0.0
14	C21 H22 O13	483.1133	483.11407	0.08358001	483.11337	92683	96971	85927	88279	115148	86607	32138	50616	154417	127367	86986	40329	215839	49345	57401	36262	28933	148803	150062	109327	126917	213285	77014	45797	20355	14711	24969	27708	30746	29881	38432	39585	60373	33350	180462	31002	60149	58923	39773	80252	109073	59715	0	0	0	176213	314661	0	44398	37585	87849	94296	79380	0	167359	90887	56971	52514	57387	42526	36712	96910	213450	158379	53285	124009	64720	28926	38582	41578	50060	40581	35830	33933	27254	38365	0	49010	67428	99235	64175	171953	23254	28809	103619	61260	57964	49885	62177	39023	33809	56631	63483	165733	137614	0	82535	81155	111622	96088	84788	44222	41443	50371	283648	53465	84200	0	25849	199046	Phytochemical	0.61904764	1.0476191	0.0
24	C21 H22 O13	483.1133	483.114	0.25623494	483.11343	4658	3616	4392	3957	6808	7316	0	1374	5913	11108	2779	1751	8601	1670	2611	0	0	4692	5545	3907	6499	8074	4248	2039	1716	0	0	0	0	0	0	2168	2906	0	5841	0	1460	2387	1636	4234	4260	2019	0	0	0	14095	28843	0	1191	0	4475	3298	3898	0	6487	4049	3121	0	2097	2194	1318	5696	6337	3220	1894	3979	1733	0	0	5778	0	1760	1387	1397	0	1378	0	1759	2421	2732	2561	19178	0	3158	4182	0	3239	0	1661	0	2378	2655	1574	5768	7594	0	3234	3239	4718	3410	5303	1712	1537	3382	17688	1971	3499	0	0	9150	Phytochemical	0.61904764	1.0476191	0.0
22	C21 H22 O13	483.1133	483.11407	0.31673017	483.11346	8682	6511	10808	6188	14936	10585	1593	4665	18477	10582	0	2887	16293	0	6992	2251	3691	14115	8406	6923	12478	20685	4203	0	3789	3917	2081	5639	1472	1516	3859	0	5432	3122	10423	2978	5296	2757	0	17039	10576	3070	0	0	0	35162	55236	0	3886	3488	9824	8528	7300	0	21004	12321	5733	3849	5967	3401	4916	11865	13860	11360	6559	11945	6311	2190	3349	7844	6261	4361	1629	3927	1695	0	0	3100	6436	10825	4781	41054	0	6320	12824	6539	4508	3080	3722	4211	3086	11395	2373	15158	12316	0	6300	9354	10262	7572	5287	1798	2358	6488	40718	4623	10214	0	0	24154	Phytochemical	0.61904764	1.0476191	0.0
12	C21 H22 O13	483.1133	483.11407	0.048721675	483.11334	86665	68847	69792	76051	68715	49293	28284	33744	106372	86810	80583	35528	116620	25120	33666	31207	34399	99078	108360	78660	106289	172481	49089	31002	11066	10666	23250	19764	23811	25868	33349	28624	40850	28577	128502	25929	41282	36517	33410	49963	95156	36728	1109	0	0	116911	244115	0	30797	33742	65937	58022	51001	0	111616	73694	45586	31467	40646	40666	39356	64763	313150	88972	35792	97748	48217	40057	24174	18094	38307	29748	25433	21959	25149	28495	0	32892	53795	79579	45570	103576	16253	16833	86259	44714	50037	35625	41222	36705	23110	34396	33269	139566	109616	0	82901	73375	102523	83202	75172	44246	29694	34352	180333	40972	71088	0	17656	146851	Phytochemical	0.61904764	1.0476191	0.0
6	C20 H22 O12 N2	483.12454	483.1255	0.17513716	483.12463	7680	8686	8558	9368	9592	3442	2222	4648	8708	7500	8262	5400	20634	2556	2182	5594	4970	12134	13474	5872	13564	11986	7778	6372	0	0	2294	0	3664	2872	5238	4394	11044	4020	10322	2270	7650	2882	10032	0	15638	5280	0	0	0	9934	25978	0	6064	5070	9768	5874	7568	0	15496	12714	6043	0	3174	8504	3678	7316	29416	18762	5072	12174	6380	10980	0	0	0	3762	6975	0	2810	5014	0	3006	5388	0	2590	4398	2958	0	18562	3428	4900	6948	5314	10150	0	3522	6514	12752	6794	0	4110	9240	5520	13336	15968	8372	2978	7102	0	7004	8260	0	0	28370	Phytochemical	0.6	1.1	0.1
16	C20 H22 O12 N2	483.12454	483.12537	0.19460353	483.12463	9822	13600	8113	11309	9103	5987	7636	8191	13504	8947	5071	9988	23646	2867	8571	3449	8844	16093	22658	9143	10539	26945	15780	6348	2816	0	3562	0	6016	5227	7990	7257	10443	8746	15734	5352	13731	6890	7722	11668	14408	5250	0	0	0	27103	46866	0	5587	6980	13123	8734	12364	0	18490	9087	6077	9106	7865	5778	7584	12914	27560	14746	5416	14560	10139	5975	4036	0	5235	8419	5457	6729	5828	3724	0	6472	8874	14408	10759	21061	4249	4031	11046	8485	6132	9033	9615	0	0	9210	0	18676	12865	0	8629	12476	7811	8925	11166	13367	6745	6755	34629	13243	8141	0	3770	26495	Phytochemical	0.6	1.1	0.1
12	C20 H22 O12 N2	483.12454	483.12534	0.1259605	483.1246	18887	21717	27391	21267	19833	12067	13789	24131	32455	24173	13870	20802	32992	6112	21720	17861	25301	36416	36441	20325	41388	72975	27712	22436	5183	0	8137	0	17193	14244	16725	14718	31457	16296	46733	12770	25023	18442	22204	33055	42991	19133	0	0	0	56065	104354	0	19709	16662	27054	19879	15507	0	47511	20670	12721	21042	16248	23364	0	46804	57499	34773	13189	34587	20886	24333	0	4140	10219	21234	13424	16710	16740	13457	0	18910	20779	29714	14942	47521	6444	8878	27789	12922	11361	20087	22215	38505	9590	14577	36929	46580	18307	0	26868	24028	21476	16112	18686	22780	21646	11151	62477	18656	18240	0	9683	57471	Phytochemical	0.6	1.1	0.1
10	C20 H22 O12 N2	483.12454	483.12534	0.06827557	483.12457	24212	25102	22212	19817	16916	12932	7511	17334	31979	20175	18810	18027	33183	6051	11481	15452	21482	27086	32054	16650	33438	46873	23033	19418	3994	0	9239	0	12728	13193	17641	13622	23238	14770	33294	14972	18309	14017	20864	27620	47583	14393	0	0	0	31737	75265	0	19357	11884	25809	25068	13525	0	28829	16916	10865	14333	13014	25273	18699	20562	46990	30187	10277	27373	20924	25140	0	3415	9022	13316	14909	15237	19278	16210	0	10411	15213	19199	14155	28896	7633	5983	25384	9752	13598	21589	18687	23411	4098	13425	27910	36281	27191	0	22059	24072	20598	21187	19968	20854	16465	16993	49858	20750	17822	0	6946	45241	Phytochemical	0.6	1.1	0.1
16	C25 H22 O10	483.12857	483.1293	0.07658639	483.1286	32539	39139	25969	29225	32230	15849	6820	5856	28866	117770	64123	6339	36641	18654	10906	13706	5773	26894	30444	64821	70563	43608	10481	10514	5911	84641	8813	48211	8008	6378	9996	7423	13917	8627	145865	3765	9446	13409	6409	40988	41789	11696	591	0	0	37692	53928	0	7486	7591	29025	24841	17203	0	26150	26050	11076	13365	10005	9845	13270	21313	50988	26048	14308	28921	17785	6372	78638	112226	118396	8428	6063	3946	5617	6216	0	7424	25791	44130	14659	37898	10219	36685	30742	17114	22044	9555	15599	0	14080	16102	0	37051	65022	0	31945	27890	36913	35793	34864	8080	5794	13713	31284	15354	27427	0	8563	39161	Phytochemical	0.4	0.88	0.0
26	C25 H22 O10	483.12857	483.12912	-0.005977156	483.12857	11669	8853	9867	11731	15128	5329	0	0	17247	34941	12339	0	23950	8063	0	0	0	18436	20501	16673	16885	24320	0	0	0	25731	0	8358	0	0	0	0	2715	0	45881	0	2264	3206	0	11748	17246	0	0	0	0	7909	14239	0	0	0	11649	12789	8088	0	23284	16881	3010	2071	0	0	0	6490	28165	15049	4262	19115	7089	0	31953	41385	51308	0	0	0	0	0	0	0	7777	14083	8936	8413	0	10719	25494	0	7112	3001	5384	1964	3828	5572	0	28537	28396	0	12836	9644	12649	20040	15120	0	0	0	0	2457	12376	0	3165	21950	Phytochemical	0.4	0.88	0.0
22	C25 H22 O10	483.12857	483.12918	0.036931865	483.1286	44460	39947	29863	29994	43017	30482	6297	8125	52513	140845	71877	8665	52991	29382	8984	8152	3226	58822	45647	93322	89094	68519	18827	8837	10610	100082	9586	57892	5522	4959	4715	4573	12387	5533	161474	3375	11625	9429	6600	55523	46430	11077	0	0	0	54829	56225	0	6528	5033	43134	37153	26394	0	46538	43024	22121	8456	12127	6537	10606	38425	69889	43574	19747	52420	23136	4978	89011	129284	127812	5011	2440	2428	2888	4070	0	9421	36788	45760	24642	46430	9027	37884	55096	28890	22101	11473	16658	11703	12252	20505	10312	66490	92684	0	35220	34597	47220	50950	38921	7977	6504	16034	41496	9475	43260	0	12337	64786	Phytochemical	0.4	0.88	0.0
28	C25 H22 O10	483.12857	483.12912	-0.03653506	483.12857	7542	5205	5038	4301	7954	3244	942	0	8568	18973	7610	1095	17118	4232	0	1929	0	12553	10029	9988	11311	14090	3785	3612	2754	12046	0	5684	0	0	0	0	1106	0	23114	0	2451	1923	0	4536	6392	0	0	0	0	4382	8723	0	1368	0	5582	3602	5778	0	10599	9876	2392	2595	1663	1919	0	5172	14922	6032	4832	11111	4078	1280	16634	20606	28410	0	0	0	0	1121	0	1391	6133	12246	6358	3827	1596	5309	11487	3733	4680	1526	1750	1665	2001	3049	2668	15679	14536	0	4836	4447	7304	9971	9397	0	0	2627	3499	1466	7086	0	1248	12699	Phytochemical	0.4	0.88	0.0
20	C25 H22 O10	483.12857	483.12918	-0.003712509	483.12857	49853	51849	48843	46939	62263	39671	13288	9779	71678	208091	113506	9746	86436	38107	18405	15506	5820	58097	64138	132327	109934	92707	20674	17115	18006	139661	12789	72103	10424	5953	10306	9965	19221	6724	236685	5962	21315	16459	6102	80961	57175	16119	1399	0	0	66997	85144	0	10950	8372	49016	55987	46011	349	73556	59546	29308	20681	18425	11739	15985	53695	103886	52882	25010	63674	24165	6741	119430	172881	170933	7080	5930	3202	7436	5852	0	10880	46402	66863	33837	57235	13300	72970	68700	39857	28361	21266	25989	16194	25530	35348	16611	88731	113875	0	49896	49063	64180	65221	58907	17925	7344	18574	56499	13976	45943	0	14048	88837	Phytochemical	0.4	0.88	0.0
12	C25 H22 O10	483.12857	483.12936	0.065440826	483.1286	6545	6968	6298	4142	3496	3170	0	4207	3538	15429	12527	1851	4314	1857	2259	2760	0	3806	4494	12066	9026	0	2242	4818	0	12724	0	0	0	1432	3071	1469	0	1542	21910	0	1456	2410	3286	6616	9391	1777	0	0	0	5172	9593	0	2879	2233	7207	2399	1002	0	2472	3257	2108	3927	0	0	0	5584	4293	4705	1458	4045	1831	0	0	14598	20583	2106	1563	2261	1114	1165	0	1682	5511	0	3275	5506	2349	4839	2239	1697	4168	2177	0	0	0	3372	5093	5532	7073	0	4735	3843	6340	4648	4489	0	2113	0	0	2815	6093	0	0	4682	Phytochemical	0.4	0.88	0.0
24	C25 H22 O10	483.12857	483.1291	-0.023559522	483.12857	18133	20662	13686	21072	25414	11775	2746	2861	33618	71431	33014	3065	48247	14263	6598	5257	2180	27070	30871	37774	42322	37766	9538	4636	4942	51557	4921	25394	2763	0	2698	1223	4753	3302	82493	0	4840	6995	2140	27077	26504	7104	0	0	0	22728	27075	0	2703	1762	17236	20980	19652	0	28299	28628	10344	4744	5318	3839	4781	17341	46973	26567	11274	24468	13043	3850	45470	68817	77795	2095	0	0	1859	1364	0	3034	19619	24388	14704	19494	5452	22282	36959	19553	12875	8388	7659	3158	7054	7551	5911	48472	59286	0	19780	18421	25270	26834	25888	3242	2277	7212	22856	3941	25167	0	5107	47227	Phytochemical	0.4	0.88	0.0
20	C22 H26 O10 S1	483.13196	483.13263	0.45712993	483.13217	10165	28546	12946	22006	9491	8706	2835	3410	23512	62918	9588	4901	43122	8039	18406	4920	5495	39230	22654	54344	52144	60698	5127	8748	5301	7481	2764	24906	9068	3637	4485	2952	3580	4184	98262	5103	4451	4887	2823	58518	14814	11950	570	0	0	53388	26927	0	5617	4327	28452	8645	8541	0	14886	22080	5772	4926	10735	12794	3668	41260	21188	25632	3454	7964	8283	1869	10826	40088	30536	3964	5340	3222	4773	3972	0	4712	3829	35650	3561	18921	17280	15868	18154	14250	4843	16798	21768	0	27638	50280	5741	55396	72408	0	17231	16011	7154	4973	8721	5729	8006	22626	28772	5088	11008	0	12260	38040	Organosulfur	0.45454547	1.1818181	0.0
12	C22 H26 O12	483.1497	483.15042	0.042108107	483.14972	130216	213848	277980	225208	140322	119034	82453	217566	203938	506532	314566	75462	190148	32779	151276	193448	83728	199112	115193	204166	396612	214261	184116	117446	51253	65153	67510	91475	184122	162736	84703	202294	211738	176976	331029	164962	198606	158898	165942	147421	194111	107632	2251	0	0	230174	577650	0	185258	208974	276872	263938	110584	0	248876	128698	90158	201078	107362	105678	138568	252520	237280	90206	37644	188476	65395	95795	82222	103598	116472	191760	171852	183310	68533	175862	0	162210	103177	108904	165214	327728	134712	164520	159716	110158	157402	50130	55481	85720	69728	86886	98786	291808	155536	0	265120	239198	98403	118236	123880	216416	140122	126530	233588	87362	149968	0	57804	245182	Phytochemical	0.54545456	1.1818181	0.0
10	C22 H26 O12	483.1497	483.15027	0.025286242	483.14972	46445	46680	47722	43023	54070	18137	51804	93314	36695	100194	53302	32371	40563	14463	35743	49202	65978	31647	41863	62273	73411	53275	35335	44691	18975	23237	64574	36035	64460	69138	37352	38765	73688	38027	104335	38475	38530	34936	81292	55402	63944	20882	688	0	0	69084	112013	0	85002	40860	49351	82216	25491	0	86566	27562	35378	43465	37477	81278	43086	76150	41782	33707	35178	59918	23849	40197	31702	39075	50029	63688	41445	72772	56296	39374	0	26512	47209	35650	70444	56412	26898	30128	36457	21900	35926	40034	48252	31748	22001	27867	39116	52075	58273	0	47096	48992	35677	56556	52142	41395	28650	40002	60313	31206	32083	0	27934	44516	Phytochemical	0.54545456	1.1818181	0.0
24	C22 H26 O12	483.1497	483.15042	0.29845744	483.14984	11694	9895	9567	7852	5544	3958	2931	4123	7830	22753	6246	3565	11603	2752	9692	6091	1864	12205	9522	15632	15882	7860	6664	5912	5236	4600	1985	6152	5161	3185	5050	5253	7676	5984	14799	3677	8890	4769	2931	10686	10017	3715	0	0	0	26788	21572	0	9472	4985	8196	8279	6549	0	11827	6715	2943	5075	6090	4006	7123	13989	10696	7946	3509	9560	4789	2256	4898	12366	10786	10411	5589	7795	2944	4137	0	5146	7651	5959	4937	17712	6483	10474	7670	7466	4508	3609	5115	2872	8971	7824	8789	8548	13767	0	7259	7288	8848	3854	3730	0	4997	10560	21578	4712	4873	0	4131	14044	Phytochemical	0.54545456	1.1818181	0.0
8	C22 H26 O12	483.1497	483.1506	0.23618057	483.1498	30848	24844	29986	14129	7835	6931	7705	12359	20760	28775	19169	21288	21184	4572	8793	12237	13949	9918	27956	17081	41574	13677	24130	15787	3247	4188	8593	7362	10636	23540	9290	9228	12970	10362	28101	8282	20940	9989	16867	13808	20015	5634	0	0	0	17038	66304	0	11220	14414	12359	23440	8387	0	13929	17524	5572	10239	8767	16433	13412	25588	31328	11264	5481	8361	7270	29448	10293	9097	19420	13514	20460	11093	10408	13741	0	6492	14774	3994	12126	13283	6235	10905	11648	5662	10099	5959	14052	28580	0	7741	11176	15960	12462	0	12270	15418	11772	22914	9362	9949	16300	16016	22120	10309	8676	0	7491	25170	Phytochemical	0.54545456	1.1818181	0.0
14	C21 H26 O11 N2	483.16095	483.16162	-0.01947569	483.16092	78676	67101	70596	74431	35497	40853	56682	98543	52125	98201	41752	50274	55410	16676	77631	77057	50850	70522	73006	96666	85477	150222	75721	89276	61816	8912	46449	29972	93312	72079	91519	84689	109978	65457	125449	88485	100097	73128	53310	109018	74947	42522	0	0	0	112692	98877	0	78767	84894	81257	70492	41192	0	93193	27579	30663	88580	163440	45982	86886	83756	63225	69289	24704	55566	53128	49782	0	29183	20933	83980	73810	80872	45550	68300	0	71486	56952	42193	53597	68050	53395	45898	39681	38352	49981	43646	59012	67853	63492	105443	136718	59518	81817	0	81931	75985	25596	24175	33163	82510	58306	104157	80739	90824	32693	0	45788	83307	Phytochemical	0.52380955	1.2380953	0.0952381
10	C21 H26 O11 N2	483.16095	483.16168	0.002815324	483.16095	66822	70530	64107	67144	28856	29075	46300	82202	48992	84767	47675	49712	52844	11155	50387	79769	53312	60010	62790	90395	82318	111196	63858	82946	32404	8972	45765	24628	66832	65162	66998	72796	88011	61332	108886	67923	81241	56634	67691	92165	86031	38514	796	0	0	94352	101026	0	80453	70029	65395	73597	33564	0	61214	29108	26817	79569	75359	64201	88549	70023	63735	54549	28033	53504	40789	67848	18296	19250	27616	66420	66955	69731	51924	69926	0	50668	51693	41307	50420	55382	44589	35236	34894	26576	47697	37990	38045	84212	46981	64917	116154	63682	83980	0	72165	77473	30211	29372	29765	81911	48005	86065	61482	74972	31926	0	43409	68331	Phytochemical	0.52380955	1.2380953	0.0952381
6	C21 H26 O11 N2	483.16095	483.1618	0.03601927	483.16095	15864	17509	16213	17074	10536	7122	9730	15766	12915	18852	13217	13611	20632	3417	9637	20263	17309	14482	20562	15869	21797	28853	12102	21331	5194	1022	9436	3837	13808	13607	13702	15329	20303	14386	24109	13823	17461	11423	25464	17083	26620	8463	0	0	0	18176	35333	0	18494	18214	19753	17851	10394	0	18622	10036	7037	16680	12501	16435	19987	11061	28004	18996	7407	16921	13485	26192	2803	3671	6242	14485	14215	12351	8233	13607	0	8540	13354	7978	10173	11700	6555	6331	13339	8471	12801	12141	12850	26411	7481	13335	28030	15958	16041	0	19031	14617	8141	13589	15559	18696	11961	17983	12847	15219	11129	0	7117	25676	Phytochemical	0.52380955	1.2380953	0.0952381
22	C26 H26 O9	483.16495	483.16556	-0.015915928	483.16495	88995	92958	83358	79529	91752	58828	20219	34015	103404	248220	181109	26388	103311	68416	37535	50100	21581	102774	107780	198133	193055	107688	49614	46555	44887	299903	20892	151153	26751	25698	29338	26111	41591	26650	292666	25017	40350	32350	26608	132163	122161	33436	0	0	0	113424	100742	0	34714	29587	83315	100144	64024	407	108156	98030	47396	37448	34569	23230	37175	95000	114849	78692	41577	94808	53777	26680	250913	380293	376139	32602	24188	17377	17114	27917	299	26608	81820	67769	64990	79884	32593	113849	103205	63925	69103	38928	43223	41231	48137	64052	49665	94340	135858	0	87757	83424	93835	107243	99951	33017	26083	41306	81728	47434	85151	0	33706	129222	Phytochemical	0.34615386	1.0	0.0
24	C26 H26 O9	483.16495	483.16553	-0.024419826	483.16495	49845	44440	43842	45422	49704	34257	8586	12112	64322	116948	80641	11121	79580	34203	17496	16176	10773	53578	67442	99337	102314	53263	28145	23419	14860	159346	10507	55768	11115	9967	13291	10963	13053	11212	148631	11173	21720	14961	10560	70045	67568	14297	0	0	0	63046	52810	0	10737	12958	43357	43538	33432	0	53972	49427	24464	18071	16489	12845	21926	49724	82110	48314	23110	58150	26577	9428	143559	188106	220682	11324	10335	7166	7395	11275	0	11136	42097	34729	33001	36949	15257	55992	69347	32275	33071	18201	17713	16150	22782	22086	24709	47941	65682	0	45133	44952	44138	58314	58973	12476	11124	19277	31816	17785	55425	0	14361	71592	Phytochemical	0.34615386	1.0	0.0
18	C26 H26 O9	483.16495	483.1656	0.011039698	483.16498	86891	89345	75805	74059	73680	39419	29050	43991	76942	218592	148591	27116	84408	46262	38432	52512	31536	72642	94581	175713	169095	77081	57180	43508	39308	271178	34220	128635	40285	41979	33096	41452	38944	38474	221268	35091	42967	42672	45286	113895	119431	32432	1407	0	0	84285	92955	0	47895	34780	74671	88810	56803	0	78725	66614	44462	42560	38538	41814	49157	82751	107863	60429	38323	74583	46994	36836	192908	296028	327900	40860	31724	27659	28769	38385	0	25885	78264	64340	54604	79293	40123	86714	79206	51852	62919	27683	36555	50919	48189	61465	62052	78148	87935	0	84145	71588	72397	80309	77259	42412	31656	45951	60173	39943	59705	0	38614	84461	Phytochemical	0.34615386	1.0	0.0
16	C26 H26 O9	483.16495	483.16562	0.005034851	483.16495	41911	41981	37798	43967	31453	15601	19966	30805	33521	100071	71494	19287	37058	23468	24250	29206	21285	31120	36774	89772	85651	45846	33473	32869	19846	128922	18731	51245	20309	20797	21614	25375	21228	17331	110253	30781	28402	24094	28296	56391	57762	18571	717	0	0	39775	56670	0	25613	28767	42702	44386	24925	0	29936	35007	23053	33374	21792	31238	24023	32298	42745	25403	15145	32671	21262	26413	100297	153731	147896	25883	20120	21608	18630	24433	0	17192	47146	38179	29211	39540	25029	45157	36890	19218	41016	16844	22480	44178	36225	25790	38092	39731	47913	0	40777	35239	31702	37901	42915	23198	16415	24642	29487	21266	33431	0	24672	44801	Phytochemical	0.34615386	1.0	0.0
28	C26 H26 O9	483.16495	483.1655	-0.014840335	483.16495	10784	9162	9123	5576	12705	5715	2599	0	12932	23108	14301	1481	24000	8370	4808	0	2815	12348	16864	16995	18656	11477	5032	3444	4032	30236	2329	11833	0	0	2505	0	1867	1664	24053	0	1600	3493	2268	11858	13058	2788	0	0	0	7785	13517	0	2614	0	5524	8243	5505	0	10329	10765	4344	4185	2422	1562	3169	6753	15241	10489	3856	15965	5980	2805	38303	44107	54221	2436	0	0	0	1301	0	2291	8822	10328	5512	5626	3138	9685	13153	5524	8198	2397	2896	2120	3557	4553	5078	11206	17572	0	7232	7485	11890	17201	17420	2331	1794	3615	5052	3080	9186	0	2474	15049	Phytochemical	0.34615386	1.0	0.0
26	C26 H26 O9	483.16495	483.16553	-0.022249522	483.16495	16736	18382	19791	17838	27803	11981	0	5898	29586	50571	30853	4401	44812	17041	0	9719	0	29076	25533	45393	48382	25886	10433	11150	0	66822	3034	30298	0	0	4671	0	5215	4736	58895	0	9490	8276	3397	25705	32161	0	0	0	0	18930	27709	0	4662	0	21009	23363	15213	0	26183	31216	10890	7216	5050	3418	7023	17457	37953	22051	8155	35112	12165	4849	80868	83735	110263	4967	4645	0	6384	2765	0	3349	23444	21093	15419	13020	4371	28566	37874	14953	16443	8513	8958	5242	8534	8168	12523	26822	32516	0	19513	14417	20213	37961	28950	0	4609	7069	15443	8175	23150	0	6220	36418	Phytochemical	0.34615386	1.0	0.0
24	C23 H30 O9 S1	483.16833	483.16888	0.2596008	483.16846	19716	16802	8376	15362	5774	13558	3104	3504	4474	45644	4175	1250	13488	2514	3114	11494	2975	21000	16880	21863	15483	17646	10084	7090	13612	17604	2922	5172	4877	3686	10984	3174	3610	5282	39020	4596	7680	2780	9880	14739	6774	2082	0	0	0	21336	14439	0	2875	3938	17720	16424	11382	0	6634	4166	7838	18974	16760	3651	16842	8361	6968	5238	3239	5530	12524	4900	4628	15002	7173	6519	2656	3878	5903	7710	0	7898	4664	3670	7856	17824	14264	10068	5228	0	11186	3870	9050	6366	29982	13586	12972	7524	10209	0	8969	19620	3929	3495	5557	11028	2455	16406	9677	4545	5713	0	11110	15072	Organosulfur	0.39130434	1.3043479	0.0
8	C20 H26 O10 N4	483.17218	483.17294	0.087032236	483.1722	5140	6930	4187	6060	2520	3031	6021	7250	4736	4235	2393	5216	3878	0	6309	9248	11180	5279	5837	3218	4268	12743	7035	9302	4184	0	4280	1799	6494	4287	4874	6063	7582	5873	4350	5248	9635	5932	9975	2825	4071	3157	0	0	0	5277	2826	0	7473	4429	4604	6697	3046	0	6096	3651	4038	7131	5860	0	10131	2323	6956	5965	2747	5475	3031	10997	0	0	0	5574	3661	4681	5217	4766	0	4995	6802	2883	4557	1960	3478	0	3336	0	6566	4598	4249	17450	0	7629	20324	5588	3091	0	7772	6629	1806	5375	0	8328	4403	8364	0	8774	3675	0	4824	7643	Peptide	0.5	1.3	0.2
14	C23 H30 O11	483.1861	483.18686	0.016052157	483.1861	371140	197657	337564	344858	88101	96790	135939	423304	261224	322203	365170	241312	254246	48982	303900	342106	116978	274160	295946	286693	486398	199724	308428	399530	288456	130469	122098	180216	352114	366966	329282	217440	375804	265632	360733	358548	164489	286124	122881	404504	189000	173366	0	0	0	445304	195351	0	368248	184191	332790	329768	183520	0	282120	82290	135064	392126	233010	139170	217015	276748	280604	258174	123286	217412	180446	259902	122854	391806	147536	349632	333396	386282	262860	344240	0	134137	306568	100340	303880	275932	277768	240888	106173	87475	294028	84881	204436	145210	130088	156665	191453	127599	283808	939	370230	355032	89102	90388	87050	349654	221126	436324	195662	302528	178060	0	257010	128043	Phytochemical	0.47826087	1.3043479	0.0
12	C23 H30 O11	483.1861	483.1869	0.01481387	483.1861	80266	84374	76056	76921	28692	58794	70840	97661	46448	123887	75209	50286	71384	14866	56921	145960	60975	48631	60182	121242	90728	186068	60595	102671	84712	50509	57368	42150	149168	74885	78184	66989	76811	54578	124897	72186	74645	55659	76034	140206	106682	66312	906	0	0	80736	91420	0	133562	72774	80669	146522	37644	0	53197	31511	53594	70658	72668	68560	95863	100742	58830	77132	45604	78542	64732	67547	59760	67340	65084	69256	61830	77410	61922	65175	0	52789	65485	39378	134650	56036	58293	50244	91200	32121	57447	23923	71718	74696	59123	66948	83462	45492	53663	475	88960	75942	35383	31732	30812	172254	46647	96964	56933	66329	35439	0	49958	52113	Phytochemical	0.47826087	1.3043479	0.0
16	C23 H30 O11	483.1861	483.18677	0.025749007	483.1861	580230	607096	561814	621828	182415	178639	382500	734954	252872	1370556	285896	350262	270358	99246	579202	526926	170810	543382	314355	1112368	479782	656692	554320	673352	505590	217854	325544	233477	657436	561654	712038	341120	707680	507952	1577676	631500	676326	482604	180145	822000	212838	154558	4536	722	402	760362	238959	591	690682	623120	629468	300501	191196	978	329340	156172	136911	574502	669880	150745	326454	529572	280880	243320	105899	221674	359544	170868	176073	392092	258115	689244	611006	735084	178961	573064	0	482192	249241	190207	226227	517502	481454	241247	178097	137173	212176	134701	178472	192455	241644	655418	418976	213530	581766	1962	618368	626496	190283	140780	145730	554114	196412	636640	219463	271797	156727	703	411790	292569	Phytochemical	0.47826087	1.3043479	0.0
10	C23 H30 O11	483.1861	483.187	0.181442	483.1862	23639	27189	38728	22822	8718	11242	39308	52716	25624	32010	38572	35780	21736	4096	23361	28704	19753	15495	34856	33524	53444	23530	34280	59290	13605	16538	22235	13006	43906	25654	53532	57356	25366	38152	63116	27826	24981	16472	31956	25585	25122	12444	0	0	0	48198	62838	0	25100	60872	39536	19569	19586	0	35274	22772	19908	23059	24880	26224	26686	32644	23378	12545	8070	23260	11258	34135	12577	18818	28329	43890	54108	54680	21992	47708	0	30340	46772	17017	46340	20691	22025	16941	28252	8986	35012	10340	14798	29005	46531	25020	29429	17136	23978	0	24517	18225	13181	17080	26436	26491	33578	33990	23247	37014	22484	0	36230	12475	Phytochemical	0.47826087	1.3043479	0.0
12	C22 H30 O10 N2	483.19733	483.198	-0.041609764	483.1973	45494	48710	52515	53741	19808	25914	45356	88265	27356	50688	26872	31633	22536	8109	60720	50310	37629	37064	46996	65764	59376	97731	53957	76275	55985	9929	25695	28828	69951	50146	64841	49606	76244	54678	83735	52801	64744	50576	33780	77698	37449	27159	473	0	0	68742	31780	0	58761	55148	53266	47842	24135	0	41621	15999	21464	60992	98995	34827	48135	40509	31294	28530	15156	30861	31659	39959	0	17532	15774	58561	52492	59168	30283	45997	0	48695	39517	34605	31716	41352	51536	33040	19642	19483	35028	20442	31686	64526	51824	79321	104540	29775	40076	0	57305	49667	15002	15221	12455	66219	40643	65568	24978	62445	15422	0	40719	38392	Lipid	0.45454547	1.3636364	0.09090909
8	C22 H30 O10 N2	483.19733	483.19812	-0.017644472	483.19733	29985	30264	24016	30388	13560	12645	16301	34087	15960	34757	16223	19836	24339	5350	24699	33864	20523	19897	25962	36633	31297	54216	21564	40489	18224	3888	14101	7605	29722	23975	27529	35462	29608	21694	52196	27786	37566	19305	24594	32979	24052	13194	0	0	0	35392	23586	0	35790	25743	30132	24667	16391	0	27875	10238	11142	34796	27214	19519	33867	18780	22729	20599	8807	19808	17232	24935	5053	9123	8149	30418	29307	25751	12507	24315	0	21404	22623	10904	18406	17348	19830	15363	13362	10009	22309	13463	17185	32273	37189	55803	49391	20453	34232	0	31969	32034	11718	15277	10658	30910	14642	46456	0	28135	11869	0	18912	26836	Lipid	0.45454547	1.3636364	0.09090909
10	C22 H30 O10 N2	483.19733	483.1981	-0.0228828	483.1973	40168	32145	37818	34070	16920	16772	28171	43952	23395	46044	16398	24014	29572	7297	35377	41406	22806	28493	32527	52050	37084	71708	32422	56457	28749	7907	25372	14586	45731	39348	42210	40628	53043	34462	68232	44481	60269	28615	32444	50444	28959	19700	0	0	0	51029	26980	0	54478	39477	43159	40172	19958	0	36932	13196	14833	56235	54984	21524	43170	27141	25618	22819	12021	26185	17451	31212	0	16841	10652	47406	40498	40291	22590	33212	0	29988	31936	20183	26101	27660	32953	21459	14575	12496	33262	17785	22041	41495	49051	56157	69687	29148	44959	0	39685	44002	14340	14872	14200	49199	28164	58696	17994	40281	13359	0	27783	35655	Lipid	0.45454547	1.3636364	0.09090909
6	C22 H30 O10 N2	483.19733	483.19818	0.024003327	483.19733	16040	15537	16877	18504	6798	7612	8178	19651	11575	14975	8608	9375	14474	3035	15992	20215	10712	16904	14614	18937	18586	26669	14087	20334	9356	1301	6346	5218	15417	13742	16811	18701	25856	17155	26475	17269	20053	10509	13438	13086	13676	8184	0	0	0	15053	13166	0	24394	15135	17889	19578	7554	0	18052	7338	5552	17348	14335	10006	18868	11950	13317	13139	3595	12075	10348	15254	1902	4614	6011	16996	16069	13443	7149	13612	0	9889	10522	5616	9776	7667	10156	5463	9351	6289	12988	9118	9301	21564	15310	50740	29918	10151	15367	0	17794	14902	5697	8511	8036	20376	9948	26600	0	15105	6170	0	8532	15960	Lipid	0.45454547	1.3636364	0.09090909
26	C27 H30 O8	483.20135	483.20197	-0.02540485	483.20132	50752	45601	44471	39615	58186	26536	11265	24449	64699	80634	73165	17109	86947	37912	21643	31224	16820	51111	67266	92576	106131	39803	43670	33409	23453	175715	10029	70809	17708	21311	24975	18378	32329	20868	98948	17999	32204	21880	18587	67573	71780	21085	0	0	0	43151	43165	0	24249	18555	41432	42769	35904	0	60203	64066	27596	25459	21198	15554	28326	44357	65600	49205	19185	57285	34664	24384	194686	181045	230934	25241	21607	12573	12906	18981	0	14655	47062	39802	38726	30392	18626	52341	73462	28895	43886	25882	26319	24797	23485	32173	36956	39196	43142	0	51491	45430	37934	77415	72517	25805	16467	27896	27628	25983	46599	0	22682	57838	Phytochemical	0.2962963	1.1111112	0.0
22	C27 H30 O8	483.20135	483.20193	-0.01258327	483.20132	184930	206978	179870	193481	205482	131549	72713	129563	191123	373116	314578	86040	198735	142490	118549	151814	99566	194972	209258	423612	434546	180573	138160	164713	121709	742535	75835	298409	113966	102298	110110	122239	140024	101442	438488	106644	152531	100463	98709	279283	268603	102731	5750	0	396	187756	182882	0	122350	117487	194050	189846	140723	968	194898	179080	109683	146872	109341	94448	143216	201661	214332	173820	83835	209195	124236	106958	597461	802231	879252	116505	97809	86302	75384	103262	0	98194	209569	138067	151121	139744	96242	225337	219300	128823	175410	104563	115815	142791	160547	178783	179296	167491	208301	0	172340	197673	163536	208461	179087	142107	88179	160283	121459	126669	168177	0	105741	224292	Phytochemical	0.2962963	1.1111112	0.0
28	C27 H30 O8	483.20135	483.20197	0.042803418	483.20135	14890	12729	14214	12527	16305	9060	3370	4808	16144	31853	19760	3559	25672	11467	6439	8158	7663	13941	22352	25328	27587	13369	11074	12304	7081	53372	5078	23012	7454	6319	6654	6446	10160	6301	31956	8735	10099	4328	4830	17181	22828	9868	0	0	0	13572	14861	0	6630	7360	14800	11667	14753	0	15025	16772	5753	7618	4668	4090	9286	9734	25622	12024	5657	23755	8352	7970	55162	59095	89057	6352	4465	3926	3898	4630	0	4520	16166	11702	9719	8406	6158	12897	26230	9696	12738	7234	7682	6007	9336	9333	12834	12973	15260	0	12006	11950	13006	24290	25748	8572	4149	10096	7223	9111	13684	0	6360	18404	Phytochemical	0.2962963	1.1111112	0.0
24	C27 H30 O8	483.20135	483.2019	-0.002971287	483.20135	119252	130571	114529	117693	129319	78527	39223	75021	133300	245519	219673	45733	169219	85631	76813	85542	50803	122753	148779	297226	234734	119853	85097	94734	57216	475228	38609	197801	62301	58605	58868	66484	71693	53854	308665	67829	91830	52742	53310	192227	165167	56852	2716	0	0	134046	116455	0	77684	61057	121075	120945	89755	0	148177	118596	55575	81981	69165	41104	87275	129454	168155	109504	50468	141770	79005	53829	415972	500693	537001	64574	52766	48149	44451	54658	0	57505	120479	85751	100317	85913	54380	144047	155489	74222	111094	65243	67751	74334	72912	86236	110277	106690	131381	0	121475	122052	103572	134964	145267	75392	42444	94209	81264	71903	112633	0	60659	156599	Phytochemical	0.2962963	1.1111112	0.0
14	C27 H30 O8	483.20135	483.20203	-8.46249E-4	483.20135	22543	23883	18279	11565	7813	4705	16589	19094	7552	14356	12117	17333	3310	4506	12474	27680	18655	5238	9438	18736	16804	16949	11116	21851	10126	23922	15049	11207	9251	15106	12621	12962	14464	10335	15217	10579	9970	15284	21678	13248	23799	7783	0	0	0	11658	18296	0	13571	22498	18502	17374	4791	0	8768	9915	9941	22275	19226	14383	0	11319	6604	9239	6085	5483	7374	21981	26329	30296	35838	9518	11700	14626	17120	13189	0	10747	25159	0	19895	12324	20417	14393	12216	5606	22210	9219	4707	28607	12916	12909	26040	11747	10620	0	14312	15300	7162	7679	9992	8612	11595	21856	0	12519	5206	0	18295	0	Phytochemical	0.2962963	1.1111112	0.0
6	C21 H30 O9 N4	483.20856	483.2093	0.02640227	483.20856	5526	7024	5929	5269	1105	2983	3005	8176	2973	3414	2821	3310	2277	1218	6706	9244	5489	2879	3280	1956	3873	7985	4380	7366	5551	0	3058	12418	6663	5199	6684	7724	8315	4742	2597	6820	8533	4306	4345	0	2178	2592	0	0	0	3000	1948	0	8736	4871	5055	5559	2384	0	3753	813	1496	9355	3039	1729	9951	2226	2851	1894	1013	3247	3339	5833	0	0	0	4160	6038	3330	0	5130	0	4201	3206	47535	3831	2335	2422	1359	1211	2101	6114	3944	3324	10392	58253	24415	15429	6744	3831	0	5876	4900	0	1282	977	7409	3166	4487	0	6154	1279	0	4280	3260	Peptide	0.42857143	1.4285715	0.1904762
4	C21 H30 O9 N4	483.20856	483.20938	0.14531039	483.20862	3080	3650	3018	2867	576	2412	1294	3402	1232	0	0	889	1604	0	2708	3179	3146	2054	2144	0	0	3173	2564	2502	1969	0	1481	3988	2076	1428	2144	2469	3536	1501	1409	2292	3811	2337	3009	1009	996	1880	0	0	0	2213	1345	0	3345	1806	3097	2310	1056	0	1875	706	866	3382	1759	1010	2222	0	1456	1977	0	2120	1456	2319	0	0	0	2024	1986	1954	0	1675	0	1987	2404	33670	1378	381	717	308	1158	597	2918	861	1384	5462	38909	19008	6968	3919	2368	0	0	2668	843	886	600	2551	1310	1922	0	3124	1022	0	879	2365	Peptide	0.42857143	1.4285715	0.1904762
8	C21 H30 O9 N4	483.20856	483.2093	0.05116545	483.2086	4780	3426	4950	4779	2372	2348	3237	5595	3130	2547	2706	1836	3254	0	5787	6900	2778	2242	3358	3366	2318	7717	5187	10193	5400	0	2846	4231	4905	6035	7184	8120	8574	3695	3350	5536	6596	4472	4723	3577	999	2217	0	0	0	3273	2630	0	7898	5235	4998	5883	2020	0	3013	0	0	7755	8459	0	5033	4443	2396	2823	2037	2907	1646	5602	0	0	0	6282	4505	5912	2552	4827	0	3632	4943	12444	2784	1657	2878	1475	1404	0	6003	1944	4157	7871	26734	17013	16191	4073	0	0	5453	3433	1257	790	0	6089	3386	4923	19181	7406	0	0	6186	2666	Peptide	0.42857143	1.4285715	0.1904762
24	C23 H34 O7 N2 S1	483.21594	483.21646	0.686989	483.21628	39180	37688	38429	40337	19201	36809	18636	48077	37242	90708	31082	18530	57243	20222	39899	35003	8551	60150	60244	80447	54740	40165	32838	39797	42954	39381	12786	24988	47812	36613	40239	41315	56856	51219	96552	43055	67190	23845	10239	44165	27600	16545	0	0	0	43457	13053	0	55779	32193	45191	38507	22865	0	65792	25329	17726	43260	46682	8705	32862	25159	56056	33385	8932	41260	28088	10015	32009	49079	40909	51432	39302	45348	13469	39917	0	35829	32932	9464	21638	20435	23744	26602	23626	17609	25234	16762	29433	15864	57900	57654	66086	18508	34787	0	32285	43029	16700	16367	12299	35290	24535	38087	20328	48148	18890	0	23987	58849	Organosulfur	0.3043478	1.4782609	0.08695652
8	C28 H34 O5 S1	483.21997	483.22028	-0.5510389	483.2197	6441	8676	5247	8787	2943	0	3162	7356	3468	4764	0	2886	2919	0	6619	7147	5230	3393	3162	3528	3231	4728	5910	10614	9849	0	4095	0	8547	4878	8708	12419	11424	6614	8346	5376	8724	6486	3873	4833	3759	4318	0	0	0	0	0	0	9515	6888	0	5364	2955	0	2751	1602	0	7733	3996	0	15522	0	0	3015	0	2955	0	0	0	0	0	6915	6366	4947	7643	4350	0	5393	8835	0	2814	3540	3648	0	0	0	9369	806	2310	7353	45084	51186	13563	0	5613	0	6450	5100	0	0	0	5487	4077	9306	0	7188	0	0	4503	0	Organosulfur	0.17857143	1.2142857	0.0
26	C24 H34 O10	483.22247	483.22296	0.08228408	483.2225	8073	4394	5872	4121	3490	5577	2674	0	3688	17827	0	0	5731	1874	0	5419	0	8542	8175	15174	11572	7481	7336	0	6577	0	0	0	12763	0	5606	7307	7352	6374	21913	5561	10161	3509	3806	7105	0	0	0	0	0	0	0	0	6349	0	6026	6973	3216	0	9136	0	0	7237	4856	0	6204	0	8113	3552	0	6349	5343	0	0	7866	0	7851	3980	6550	0	5731	0	5095	3040	0	0	0	7163	0	0	0	7136	0	4719	0	8938	9440	7332	0	6814	0	5733	6919	0	0	0	0	3624	10738	0	4278	0	0	4276	8794	Lipid	0.41666666	1.4166666	0.0
22	C24 H34 O10	483.22247	483.22305	-0.032436263	483.22247	131343	142473	128450	130897	84507	110533	70743	193136	157492	299810	82941	63853	148617	61107	155358	103512	42173	207756	182933	240728	188040	167883	124723	152962	180883	62412	52273	80284	188038	131282	166389	170093	201653	136554	353746	159155	225806	125872	45627	159027	33263	78408	2549	0	0	144426	40518	0	149331	127049	136862	140844	93647	480	253769	94586	60586	142185	188982	28539	136140	102544	165429	134301	44321	117267	97448	39406	42134	173053	47165	152270	133223	155713	55106	129713	0	126977	97148	43757	98919	64996	101498	74891	79014	82070	84495	54891	92370	37655	169558	220037	214268	60487	115504	0	123007	129050	74796	63851	62335	143829	102064	162760	80900	132218	73816	0	84962	198998	Lipid	0.41666666	1.4166666	0.0
14	C23 H34 O9 N2	483.2337	483.2345	0.13614656	483.23376	7394	8737	7097	4653	2534	6138	6359	11009	2305	3413	2509	3804	2567	0	12103	8651	8787	4359	3718	6183	5939	10366	6693	15040	10369	0	4981	0	10978	8417	9600	14089	13701	9004	8220	7125	16557	6827	9494	4851	0	5798	0	0	0	5544	6218	0	11301	10842	8314	4339	5551	0	6848	1148	0	12984	10465	0	0	2814	2245	3410	2180	2581	5281	7675	0	3309	1424	11462	10693	12101	7973	9569	0	9942	5338	0	4919	4210	9523	2962	3071	3281	8727	1854	3383	12007	18363	19286	20577	6220	7931	0	7217	10636	2935	0	3864	12983	6468	16328	0	13762	2166	0	11219	1422	Lipid	0.39130434	1.4782609	0.08695652
26	C28 H34 O7	483.23773	483.23834	-0.018736841	483.23773	113038	115626	118095	111665	143406	72543	46934	108449	133941	162813	173104	59085	168193	87792	89868	102481	70493	131110	162857	238734	217124	117801	97388	109804	92772	419468	45342	181345	96919	101826	87498	83988	111242	74215	218818	111298	122621	75078	74850	158103	150846	73166	4303	0	0	110104	93712	0	95487	89316	127025	113148	110183	0	148777	152991	65991	94483	83216	52697	113056	101705	134957	107694	54315	131350	102448	73268	400843	405210	441873	79761	75788	88819	54586	79948	0	66014	117410	86366	99881	72535	77206	127222	181049	98652	114422	70063	71099	75507	90467	104598	147016	90674	99325	0	124125	128747	94854	184830	192521	114121	55576	120593	71513	81432	119823	0	75872	124550	Phytochemical	0.25	1.2142857	0.0
8	C22 H34 O8 N4	483.24493	483.2457	0.24274693	483.24506	0	0	2917	2403	0	1334	773	2398	0	0	0	723	0	0	983	0	0	0	1079	0	0	1148	0	1624	1283	0	0	0	1441	1060	949	3208	3674	1947	0	1205	3492	709	944	0	0	743	0	0	0	0	0	0	1686	0	3113	1263	0	0	0	0	510	1341	0	0	0	0	0	0	0	1049	0	1541	0	0	0	1235	0	1147	0	0	0	1099	0	18180	779	0	614	0	0	0	0	704	0	1915	25965	18924	2055	1888	0	0	1441	1647	0	0	0	1215	1044	0	0	974	0	0	1678	1018	Peptide	0.36363637	1.5454545	0.18181819
2	C29 H38 O4 S1	483.25635	483.25665	-0.61388546	483.25607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	774	0	0	0	0	0	0	0	388	0	0	0	0	5393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	343	0	575	0	0	0	0	0	0	0	0	0	0	0	0	547	26843	0	0	0	0	0	208	0	0	0	1414	9729	3367	747	479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	330	0	Organosulfur	0.13793103	1.3103448	0.0
18	C25 H38 O9	483.25885	483.25946	-0.087362856	483.25882	26551	27168	23540	21959	14828	16694	31485	32092	15622	11919	10890	18212	15117	10028	23912	24064	31149	19603	22297	20207	11647	10693	18054	26119	20445	9128	31700	12515	43897	30194	27119	37527	36781	24826	15205	41026	34641	21741	38303	9959	7326	14125	453	0	0	10416	10751	0	36073	17704	27233	25405	14090	0	29386	14691	12567	27160	21786	10628	28266	7406	23667	16483	9926	19905	17583	31335	6984	7043	7546	20745	24458	34554	34484	32595	0	19502	28907	17183	21050	11744	29952	15168	19205	16022	32030	13622	23957	25861	64691	28425	32063	12686	9880	0	23628	18995	14174	20038	23621	36006	13861	23594	9173	20324	13611	0	23646	10246	Lipid	0.36	1.52	0.0
14	C25 H38 O9	483.25885	483.25955	-0.036449313	483.25885	4814	2431	0	4571	0	1466	6901	3437	0	0	2256	3542	0	1758	1932	4698	10379	0	2296	2048	2163	0	0	0	2163	0	5633	0	2584	6710	3518	7875	4331	1646	0	7948	4567	2756	12782	0	0	2581	0	0	0	1472	0	0	6615	0	3276	3569	0	0	0	0	704	5961	0	0	0	0	1407	0	0	1331	2097	7434	0	0	0	2239	3562	6298	11904	4687	0	3523	6772	27963	1980	1272	0	0	2367	0	4309	0	1958	7501	43962	5676	2268	0	0	0	2154	3834	920	0	2807	5733	3461	0	0	1274	3141	0	3101	0	Lipid	0.36	1.52	0.0
24	C25 H38 O9	483.25885	483.2594	-0.0934058	483.25882	50276	44313	49917	40604	39017	33090	41324	54516	48043	70906	25073	25106	64711	28426	45048	37737	12322	64876	82973	83391	50085	42690	42516	44677	51586	15411	29853	0	79482	62157	59470	62992	89230	48365	97788	72080	100661	40537	17453	42213	7628	28767	0	0	0	37325	12458	0	71922	38696	41402	51518	33167	0	81918	39570	17668	47460	67658	8301	44417	27337	51995	50581	16891	50062	40226	12807	0	43049	11985	55067	56824	59157	16442	50454	0	56195	28259	10382	23340	14059	50106	22659	33247	28474	27303	18393	44853	13906	68876	78765	58855	14027	30148	0	42856	43364	23080	24188	29948	67769	37032	65367	25475	43569	23729	0	28760	61673	Lipid	0.36	1.52	0.0
18	C29 H38 O6	483.2741	483.27472	-0.04022758	483.2741	15100	14215	17126	16434	16539	8382	28965	15078	11881	2630	8729	15890	13335	11029	18960	23938	47962	7822	17105	4983	6628	9954	15643	18050	16415	11403	25413	10557	9049	17860	14949	17966	19136	6511	6870	20528	13055	21572	62710	2132	8951	10822	353	0	0	6290	9874	0	15268	17997	13784	14089	15769	0	10569	24813	14941	21110	7633	19466	16509	4539	10665	15277	14165	12983	9573	57313	11617	12229	19864	8372	8040	12641	40211	19684	0	11888	36662	12565	28855	8924	16735	4205	33997	17028	31230	8846	7438	43328	19111	13917	21316	6987	5526	0	18806	16073	14950	38964	42487	16808	13889	12381	5345	14527	17018	0	27971	9596	Phytochemical	0.20689656	1.3103448	0.0
26	C29 H38 O6	483.2741	483.27472	-0.022771724	483.2741	212777	222022	218195	213004	313440	129765	151412	215599	235384	187603	286200	123688	239376	160974	180096	235709	220873	206809	320129	323155	289026	167490	166765	225319	191206	658637	167024	328868	218695	233124	183525	209220	247209	163710	250344	252677	237975	149571	205369	250826	235115	163439	4539	0	0	164502	152045	0	192770	199564	226583	212669	230958	0	301757	280294	142693	217054	159144	128613	221431	163740	223089	212869	114304	209901	183848	227176	543366	463888	502269	139358	147869	216013	174118	198058	0	141917	264938	208754	183349	131704	174916	220677	375279	191570	288072	140746	161794	212137	190018	194613	236435	191067	169953	0	218431	225144	196897	394604	405762	289567	120868	262443	132565	177105	304365	0	182864	197432	Phytochemical	0.20689656	1.3103448	0.0
20	C22 H42 O11	483.28	483.2804	-0.09051542	483.27994	14668	9468	9442	14939	9394	3769	7185	16465	9372	7439	5586	10010	13140	3146	12709	19501	14201	13271	21159	17212	7072	6458	13515	17975	8283	14702	7220	5368	18535	12033	7503	15384	18096	13829	4193	13734	21840	10930	10200	9325	6444	8720	576	793	316	8738	5335	701	14709	14396	9363	8356	9961	593	12423	9436	7082	16685	8202	6131	17719	5016	9641	12211	5630	9422	8582	10171	13780	16433	11985	9375	18923	15522	15285	15961	0	10241	11026	0	9312	3592	7704	0	11822	9943	15187	6651	8691	12803	16321	12059	16891	5152	7401	0	10723	11541	6911	7678	9410	21974	9707	20054	6388	14256	8466	0	8688	13844	Lipid	0.5	1.9090909	0.0
22	C26 H42 O8	483.29526	483.29575	-0.09072998	483.2952	3264	6131	6179	4403	6889	2170	33057	8643	3737	0	0	3614	5947	5322	2878	7298	7469	2655	6435	0	0	0	3143	2229	3126	0	19628	3429	9656	8434	6254	4498	7542	4997	2947	8939	9013	5049	9283	1700	1523	3765	0	0	0	2346	0	0	8974	2932	5060	3334	2623	0	9034	5379	2243	5846	2278	2836	6667	0	6442	3220	2905	4767	7333	11786	0	2117	0	6809	5193	10655	8226	11301	0	5091	2720	1839	2949	0	31557	17014	5594	4823	9211	0	4409	6110	6184	0	6119	0	0	0	4482	7959	4257	4732	8919	6299	2565	3815	0	4306	4952	0	6974	2503	Lipid	0.30769232	1.6153846	0.0
24	C26 H42 O8	483.29526	483.29578	-0.12523042	483.2952	11742	13684	8562	10299	9715	5913	62117	8879	4936	4760	3896	6565	12392	10762	9191	9193	9290	7897	14550	3769	3401	3996	5740	6335	6118	4982	43891	8179	15903	11604	13047	16339	14535	17008	6331	13008	19086	6818	8825	2056	1890	4607	0	0	0	3208	2538	0	12030	6663	10976	12192	6241	0	16142	6386	5035	15065	7740	2528	11353	2324	10723	8277	7883	14571	11102	5096	0	0	2563	8806	12941	13048	7501	12711	0	8841	7419	6300	2692	3646	43174	24811	7754	5194	5566	4711	8608	7462	23259	17962	7199	1402	3645	0	7322	10212	6316	6299	10006	15874	3988	12045	9829	12847	5823	0	3225	7844	Lipid	0.30769232	1.6153846	0.0
26	C26 H42 O8	483.29526	483.29565	-0.11030879	483.2952	7836	7343	6706	5451	6807	4418	40608	9033	5360	2584	4466	0	8642	35660	8090	5639	0	6369	13068	8504	0	3146	4852	0	8272	0	27903	12525	9560	9389	5291	8498	13194	10120	6714	10217	12611	4029	5119	3882	0	0	0	0	0	0	0	0	6676	0	9306	6374	8220	0	11609	10489	4691	9556	13180	0	11840	4258	7937	7294	17063	12039	12604	0	0	2917	2319	4470	6605	8242	0	6131	0	5650	3411	8539	3213	5206	18387	8810	0	0	5725	0	6798	4975	23885	20852	9461	0	0	0	8076	7126	3322	3654	0	8904	3526	9986	22305	5567	4443	0	3747	6912	Lipid	0.30769232	1.6153846	0.0
20	C30 H42 O5	483.3105	483.31107	-0.025172267	483.3105	5669	6300	6223	7327	6034	2273	15223	2431	8803	0	0	2737	2048	11752	5580	8092	22994	3097	10227	0	0	1880	1611	2848	4203	2104	13470	1439	2850	2596	2686	4186	2903	0	1664	0	2057	7523	33284	0	2954	2633	0	0	0	0	2991	0	3349	4679	7374	3426	4766	0	5468	17363	7550	7072	4219	5685	2978	0	3027	4091	6639	0	4392	25956	0	2460	3645	0	1657	5080	11796	4758	0	3793	13193	3354	5446	0	5032	0	17187	12666	20513	2978	4307	29953	2974	2117	3243	0	2893	0	5104	4921	11234	23666	35658	8901	2421	3887	0	2725	15343	0	10201	2530	Lipid	0.16666667	1.4	0.0
6	C22 H46 O9 N2	483.3276	483.3282	0.319616	483.32776	1319	0	783	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2942	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	367111	140385	0	0	0	0	3233	1856	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.4090909	2.090909	0.09090909
28	C27 H46 O7	483.33163	483.3315	-0.13035853	483.33157	0	0	0	0	0	0	21237	0	0	0	0	0	0	1673	0	0	0	0	0	0	0	0	0	0	0	0	14186	2250	2417	0	1748	1759	1947	1728	0	0	1986	0	0	0	0	0	0	0	0	0	0	0	4709	0	0	0	0	0	0	0	0	1093	2296	0	0	0	0	0	0	0	0	905	0	0	0	0	0	0	0	1688	0	0	0	0	0	0	1823	0	0	0	0	0	0	0	2224	3331	0	0	0	0	0	0	0	0	0	0	0	0	9755	0	0	0	0	0	Lipid	0.25925925	1.7037038	0.0
26	C27 H46 O7	483.33163	483.33154	-0.061776757	483.3316	0	0	0	0	0	0	75611	0	0	0	0	0	0	5547	0	0	0	0	0	0	0	0	0	0	0	0	62634	6302	0	0	0	0	2085	0	0	0	0	0	3225	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5603	1543	2586	1941	0	0	0	0	0	0	0	3194	0	0	0	0	0	0	10824	9226	0	0	2181	0	0	2932	9283	3492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25925925	1.7037038	0.0
24	C27 H46 O7	483.33163	483.33197	-0.11356113	483.33157	1447	1499	0	0	0	0	36802	0	0	0	0	0	0	3891	0	0	4037	0	0	0	0	0	0	0	0	0	31438	0	0	0	0	0	0	0	0	0	0	0	2007	0	0	2418	0	0	0	0	0	0	0	0	0	1225	0	0	0	0	1985	0	0	1183	1421	0	0	0	6803	0	3259	2922	0	0	0	0	1142	1728	0	0	0	0	0	0	0	0	11096	8880	0	0	0	2095	1403	1907	1786	1876	0	0	0	0	1701	0	0	0	5223	0	0	0	0	0	3685	0	0	0	Lipid	0.25925925	1.7037038	0.0
26	C31 H46 O4	483.3469	483.3473	-0.13186873	483.34683	6368	7930	7326	6640	5887	0	16852	0	10743	0	0	5787	0	4117	6973	0	16539	0	10719	0	0	1913	5268	0	17718	0	16917	4553	5691	12311	4399	5514	5282	0	0	15981	6929	10576	18579	0	0	0	0	0	0	0	0	0	4174	0	9708	7553	7328	0	17167	16510	12979	5696	5191	0	4085	0	2805	6305	7956	2043	4905	18840	0	0	0	0	0	8188	8558	8449	0	4830	18540	6493	5271	3262	8751	2469	37232	24253	32335	2970	3595	32764	4052	6664	10145	2380	0	0	7867	7100	16389	35702	35129	12024	5353	7718	0	3859	31752	0	12679	0	Lipid	0.12903225	1.483871	0.0
28	C31 H46 O4	483.3469	483.34738	-0.07608589	483.34686	5685	3883	6071	5977	8111	2363	15725	5175	13846	0	1765	1897	0	3044	4687	2851	6932	2300	7000	0	0	1775	3134	2261	16786	0	13281	4877	3853	5781	3908	5790	7362	0	0	8921	3487	8432	5371	0	0	3747	0	0	0	0	0	0	3051	6160	4482	4403	5672	0	14884	15458	8216	6827	4852	1737	3871	0	2622	4900	7869	2064	4246	8807	0	0	0	0	1321	7769	3022	5727	0	3998	13654	9648	5143	2386	7554	2530	42536	17981	34043	1103	4650	23331	4445	5456	9326	3604	0	0	5367	3669	12535	30081	40866	12720	4643	3717	0	4798	36206	0	12080	922	Lipid	0.12903225	1.483871	0.0
28	C30 H51 O1 S1 Na1	483.3631	483.36313	-0.031945918	483.3631	4537	3873	4797	3674	911	2531	1099	0	0	1772	0	0	4437	197220	0	2405	0	0	3950	0	0	1516	0	0	0	5692	1878	1111	3069	3494	0	2336	0	1143	0	0	914	0	0	2246	1938	3243	0	0	0	0	3909	0	0	2426	4045	4271	0	0	0	2260	1585	1602	0	0	1765	0	1261	1365	33481	1756	9941	1635	0	1836	0	3025	2404	0	0	1033	0	1008	1057	11578	1249	0	1245	0	0	0	855	0	0	1229	1753	5776	2781	1061	3495	0	3736	3190	1417	1205	0	3141	0	2981	0	2448	0	0	1405	0	Organosulfur	0.03333333	1.7	0.0
28	C28 H50 O6	483.368	483.36798	-0.20595357	483.36792	0	0	0	0	0	0	21424	0	0	0	2061	0	0	1457	0	0	0	0	0	0	0	0	0	0	0	0	10066	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1831	0	0	2406	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1072	0	0	0	0	0	0	0	882	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21428572	1.7857143	0.0
22	C18 H6 O14 N1 Na1	483.97586	483.9766	-0.13055149	483.9758	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2873	14113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1279	1298	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	71937	8219	0	1504	0	0	0	0	0	0	0	0	0	0	2584	2551	3373	0	0	0	0	0	15792	0	0	0	Phytochemical	0.7777778	0.33333334	0.055555556
28	C19 H17 O14 N1	484.07217	484.07288	0.06638737	484.0722	3611	2033	3420	3532	9541	3631	0	0	10158	0	1326	1125	18235	0	0	0	0	8448	6654	0	5418	5006	0	0	0	0	0	0	0	0	0	0	0	0	1757	0	0	0	0	0	2273	0	0	0	0	0	9649	0	0	0	1559	2498	2751	0	5575	9166	1687	0	0	0	0	1816	16485	9477	2287	8781	1241	0	0	0	0	0	0	0	0	0	0	0	0	2521	0	1991	0	0	9539	0	0	1282	1697	0	0	0	0	5468	0	0	4057	2628	5074	6185	4066	0	0	0	7153	0	5032	0	0	20478	Phytochemical	0.7368421	0.8947368	0.05263158
26	C19 H17 O14 N1	484.07217	484.07294	0.06682293	484.0722	0	2318	0	0	4164	2914	0	0	5269	0	0	0	20054	0	0	0	0	8718	3984	0	0	2539	0	0	0	0	0	0	0	0	0	0	0	0	2398	0	0	0	0	0	0	0	0	0	0	0	7701	0	0	0	3391	0	3357	0	5858	7647	0	0	0	0	0	0	16854	6942	0	2748	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5118	0	0	0	0	5523	4231	6774	0	0	0	0	0	0	0	0	19390	Phytochemical	0.7368421	0.8947368	0.05263158
16	C19 H17 O14 N1	484.07217	484.07306	0.22586818	484.0723	5296	0	5636	3680	12250	3402	0	0	22126	0	0	0	29296	0	0	0	0	14642	11802	0	0	11972	5944	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3052	0	0	0	0	9780	0	0	0	0	0	4838	0	15552	18356	6150	0	0	0	0	0	43486	16266	5572	11374	3178	2546	0	0	2473	0	0	0	0	0	0	0	0	12544	0	7152	0	0	26740	3190	0	4990	4626	0	0	0	0	19152	3838	0	0	7570	12854	23574	21700	0	0	0	0	0	13978	0	0	38552	Phytochemical	0.7368421	0.8947368	0.05263158
28	C23 H17 O11 N1	484.08743	484.08798	-0.018320095	484.08743	4150	3365	3263	5113	3426	3709	1589	0	5352	11141	1804	903	7332	3047	0	0	0	8450	7931	4690	5874	18510	0	2274	0	0	0	0	0	0	0	0	1515	0	14060	0	1671	1195	0	4526	4812	0	0	0	0	5545	6996	0	1015	0	3484	4204	2990	0	7191	2183	1951	1244	992	0	0	3558	7653	6208	2109	4446	2663	0	2348	2358	5282	0	0	0	0	0	0	0	2916	8455	3111	3822	0	2152	6349	2994	3132	1312	1959	1263	1263	3348	2093	14960	25581	0	4784	3414	4208	3068	4732	0	0	0	6114	1784	4007	0	1142	11373	Phytochemical	0.47826087	0.73913044	0.04347826
20	C23 H17 O11 N1	484.08743	484.0881	0.09199141	484.0875	6438	5343	7319	6171	7239	3635	0	0	12672	31048	11927	0	11422	3021	2751	1733	3531	16493	9429	14912	24105	28584	4081	1963	1643	3719	0	2618	0	0	0	0	2804	0	41647	0	2478	1004	2393	16663	21390	2754	0	0	0	14008	22647	0	0	0	7315	8206	6580	0	10055	11041	3700	2357	1683	4282	1576	10935	25476	12198	3314	12020	4408	1840	7758	7968	7938	0	0	0	0	1862	0	0	4413	23247	5830	11808	3585	11498	13664	6621	5419	2322	5783	4030	2892	0	3542	39280	42654	0	5512	4397	11866	14403	12750	2437	1008	1523	16303	0	9009	0	2360	20830	Phytochemical	0.47826087	0.73913044	0.04347826
24	C23 H17 O11 N1	484.08743	484.08807	0.024377031	484.08746	5605	3751	4177	4570	3859	3070	1530	0	6725	14031	3278	1319	6805	1578	2078	0	0	7115	7491	3220	8394	18629	2971	0	1808	0	0	0	0	0	0	0	0	0	14918	0	0	1200	2702	4581	9839	1390	0	0	0	7800	9697	0	0	0	7426	3711	5493	0	9106	4770	2411	1549	1243	1935	1237	5114	11612	7082	2870	3400	2143	0	2577	3079	4607	0	0	0	0	0	0	0	4345	8920	5155	7553	0	2791	6972	3766	4764	2836	1944	0	0	1808	4697	21650	28573	0	2401	4588	2773	6642	4674	2100	0	0	7289	0	7757	0	1945	12329	Phytochemical	0.47826087	0.73913044	0.04347826
26	C23 H17 O11 N1	484.08743	484.08804	-0.05690262	484.0874	6064	2368	0	3666	3048	2987	0	0	6223	14883	2931	0	6761	2014	0	0	0	5128	7277	5658	8104	15226	0	0	0	0	0	0	0	0	0	0	1527	0	13113	0	0	0	0	3637	5169	0	0	0	0	0	11869	0	0	0	2639	3352	2823	0	6678	0	0	0	0	0	0	0	9559	6143	0	5940	4371	0	0	2291	2425	0	0	0	0	0	0	0	3610	10885	2908	5454	0	0	0	0	4727	0	0	2008	0	1661	0	15478	24405	0	3365	0	2903	3511	4447	0	0	0	6396	0	0	0	0	12377	Phytochemical	0.47826087	0.73913044	0.04347826
22	C23 H17 O11 N1	484.08743	484.0881	0.037795424	484.08746	2247	5958	4596	8786	9439	5953	0	0	11004	17864	4417	0	11353	0	1877	0	0	11205	5727	9690	13978	26426	2299	2852	3129	0	0	2078	0	0	0	0	0	1224	22353	0	0	0	1238	8236	9650	2625	0	0	0	12780	18509	0	0	0	8126	5551	5356	0	16396	6295	4882	2182	1533	0	1754	7918	15264	13030	4322	13786	3391	0	5151	4398	5364	0	0	0	0	0	276	0	6291	19492	1793	11703	1247	6632	12325	3924	5485	3570	1569	4415	0	6074	4318	30770	36968	0	2090	5006	7329	5505	6659	2025	0	0	7554	2055	6738	0	1867	12341	Phytochemical	0.47826087	0.73913044	0.04347826
28	C20 H21 O13 N1	484.10855	484.10913	0.019014975	484.10858	6222	6514	7623	7528	8458	9177	1180	0	7449	11093	3548	1715	18398	2954	0	0	0	13955	8226	13630	17456	8583	2988	3059	0	0	1223	1495	0	0	1138	0	1970	0	12492	2081	1762	1244	1531	6068	9813	0	0	0	0	24652	54195	0	0	0	4745	6273	7161	0	6509	7743	2767	0	1571	2214	0	8498	12405	6998	2834	5045	3308	0	7228	4617	8183	0	2222	0	0	1450	0	1534	1619	7533	2751	22429	1297	2680	10228	2348	1743	2435	3503	0	1015	2643	2958	11034	6765	0	4367	7894	8616	3161	3811	0	1775	0	33138	2533	7884	0	0	16040	Phytochemical	0.65	1.05	0.05
18	C20 H21 O13 N1	484.10855	484.10925	0.10189443	484.1086	54766	52710	55666	46366	88183	72807	10788	9862	113989	36282	40987	21258	194674	41130	29260	16143	16064	141174	116964	44834	108449	117790	50288	20836	8036	3896	13648	8834	10162	13050	15772	6814	25414	9842	49966	8836	21175	24472	10092	52785	67540	48473	4996	0	796	145060	288388	1440	9706	14368	54334	48746	70330	572	141564	127014	49990	16986	26243	19548	22140	71872	159586	96478	33396	98416	51968	11310	27181	19153	33154	10826	11356	13554	13756	10012	682	19720	28727	103158	30169	147738	9191	8010	142927	59362	27446	46150	47582	12574	7058	16394	37570	134222	102209	0	39778	60854	98536	69806	100884	23374	27434	22650	203408	13940	81950	0	14969	126142	Phytochemical	0.65	1.05	0.05
12	C20 H21 O13 N1	484.10855	484.1093	0.080908656	484.1086	34097	25786	22760	29135	44924	18312	5791	11938	61158	30356	38526	18034	86018	12845	15094	12513	20655	64116	58192	42384	87836	82756	27756	19767	3423	1729	5456	10627	7522	8001	10306	6356	18852	10172	50582	10139	19259	14906	17629	23240	85899	27193	564	0	0	56955	160934	0	7593	11860	20507	33360	31231	0	63395	59242	24545	10975	18798	23293	0	44363	104983	56291	20447	50444	21936	21019	23086	6684	20201	9110	6768	9258	14560	6918	0	14222	19578	61187	15401	51888	4462	7003	68494	27857	15084	23340	21772	18542	2832	9733	24770	105903	44584	0	32130	31948	61637	50301	56797	23476	14349	15522	110186	18027	58909	0	7174	80729	Phytochemical	0.65	1.05	0.05
22	C20 H21 O13 N1	484.10855	484.10934	0.12679009	484.10864	8287	5607	8321	6553	15824	11802	0	1963	15762	7702	5520	3678	31209	0	6957	2066	0	27878	13458	7525	17156	14372	5316	2049	1847	5114	1273	2088	1861	0	3319	0	3895	1122	8322	0	1619	2501	2772	9666	10072	5344	0	0	380	30034	77335	0	1333	2423	10651	9210	6824	0	24087	19215	5915	1441	4143	4775	2564	10538	18755	16176	6948	12999	4423	1627	7251	6135	7782	0	960	1289	2663	1253	360	3911	3658	22378	3494	37739	0	2090	27652	4895	4310	5730	3771	1372	0	0	2737	25113	16952	0	6841	10669	14602	11778	12468	2154	2918	2715	54903	1686	12991	0	1855	28543	Phytochemical	0.65	1.05	0.05
10	C20 H21 O13 N1	484.10855	484.10938	0.09117261	484.1086	19333	18070	16875	15254	27831	9498	4009	5502	33262	18176	23155	11006	43911	7595	8471	8816	11370	40450	36978	17160	44011	45866	16110	8996	0	1491	5248	3182	3547	4148	5923	6886	11031	6744	29769	7933	7112	6849	9454	13490	38106	15628	0	0	0	30076	72854	0	6635	8078	16921	17410	18334	0	37494	34826	13584	5404	5366	14859	10817	17061	54099	38127	12607	35118	15609	13800	10105	3261	10261	4933	6125	4243	7428	3382	0	5538	12283	19465	10615	21144	1730	3053	45379	16107	8744	14445	13234	12747	0	4028	9787	45212	30281	0	20443	24352	31953	32896	39670	13318	9983	8309	38743	8008	32834	0	2728	50190	Phytochemical	0.65	1.05	0.05
14	C20 H21 O13 N1	484.10855	484.1093	0.1014603	484.1086	34363	32931	28588	42483	63561	41253	8391	16935	75390	33388	47172	22564	122355	23565	24020	17429	26861	83225	87886	40461	83868	99868	35030	22405	5686	2243	7823	7631	11021	12298	9769	14301	18031	14801	64751	12814	19646	19801	17708	32534	69198	36000	0	0	0	73503	207422	0	10633	11997	40683	35801	42469	0	89246	75179	28002	14296	17004	28384	0	57670	120702	86178	34105	64304	40361	16557	23302	10738	18283	8989	13834	10514	17149	10624	0	18411	24823	105515	23427	76220	4848	8893	90877	33316	21840	27045	32182	13512	6384	11461	30110	112962	75059	0	33413	41038	62970	71720	74588	25093	15316	23169	187148	19177	61843	0	8290	91579	Phytochemical	0.65	1.05	0.05
26	C20 H21 O13 N1	484.10855	484.10938	0.06328355	484.10858	3997	4871	3919	4175	5996	8038	0	0	9803	7215	2308	0	16385	2719	0	0	0	12629	7689	6062	10714	6777	0	0	0	0	0	0	0	0	0	0	0	0	8381	0	0	0	0	5210	10139	0	0	0	0	21875	57610	0	0	0	4690	3417	5821	0	9551	6011	0	0	0	3655	0	10846	13529	9350	0	6059	2946	0	0	2944	4408	0	0	0	0	0	0	0	2365	6292	0	22197	0	0	8300	0	0	0	0	0	0	2162	0	9862	6696	0	5915	6554	6470	4446	0	0	0	0	31901	1770	8633	0	0	17979	Phytochemical	0.65	1.05	0.05
26	C24 H21 O10 N1	484.1238	484.12448	-0.014478392	484.1238	4126	3362	3837	4677	3284	3098	0	0	5624	17135	4561	0	7995	2077	0	0	0	5557	4558	6150	13291	15565	0	0	0	0	0	4781	0	0	0	0	0	0	21342	0	1810	0	0	5805	6701	0	0	0	0	7687	10235	0	0	0	3862	0	3368	0	0	0	0	0	0	0	0	5160	9388	4498	0	5638	2170	0	6231	13695	9278	0	0	0	0	0	0	0	2683	5732	0	5484	0	2786	5691	0	0	0	0	0	1641	1755	0	16173	21429	0	5140	0	0	5051	0	0	0	0	0	0	0	0	0	4862	Phytochemical	0.41666666	0.875	0.041666668
20	C24 H21 O10 N1	484.1238	484.1244	-0.024621224	484.1238	18739	18750	15491	17427	17580	10505	3387	3036	18607	90769	43698	1089	22044	10145	4331	5149	2800	20146	22610	45708	61302	63055	7797	5838	4394	39963	3562	26944	2209	2703	2083	1839	2921	0	104975	0	9789	2925	2613	47827	42645	5186	700	0	0	38780	43099	0	3285	1637	17040	18159	13929	0	23652	15047	6886	5650	3436	5807	4815	27382	35728	16646	7581	20165	6400	4314	37449	48954	55502	3453	0	0	0	2885	0	2413	10577	46684	7008	25127	6115	26961	22018	9522	9734	8090	7097	11540	8749	16033	6724	63625	73854	0	22778	17480	17249	17273	12974	4429	1991	6092	35478	5657	15906	0	4316	29645	Phytochemical	0.41666666	0.875	0.041666668
12	C24 H21 O10 N1	484.1238	484.12457	0.04119714	484.12384	5215	5129	0	5201	5157	2605	0	0	7688	24653	17443	0	6512	2726	979	1837	0	6326	5372	12836	27541	17384	1507	0	0	14465	0	0	0	0	1204	0	2029	0	50819	0	0	1060	0	12982	18614	2179	0	0	0	6363	16979	0	0	0	3055	4983	4134	0	8710	5424	1929	2905	0	0	0	9643	9726	4303	1437	7249	2699	0	20126	24350	35342	0	0	0	1787	0	0	1408	4532	0	1172	8736	1380	5789	3886	3044	2014	1636	1393	0	2680	0	4152	19203	18268	0	4602	7123	5527	7215	7000	0	917	0	0	1594	6287	0	0	7572	Phytochemical	0.41666666	0.875	0.041666668
24	C24 H21 O10 N1	484.1238	484.12436	-0.08635895	484.12378	4518	3983	4930	3056	6090	2599	0	1835	8928	31185	8830	1542	13116	2324	4087	1455	0	5918	8343	8500	15134	16568	5063	3205	0	6789	0	7410	0	0	0	0	0	0	33462	1167	2042	4274	2080	8967	9643	1841	0	0	0	15365	23647	0	1495	0	4962	8048	7371	0	6923	5290	3466	1821	1400	1352	0	10431	12432	6359	2654	9746	3060	0	9280	14134	15711	0	0	0	0	0	0	1231	3504	16796	4025	9782	1390	7214	7939	5183	2472	1210	2651	0	3275	1960	1452	24066	35830	0	7697	4050	4940	4544	9214	2332	0	2569	13635	3676	5516	0	1311	10957	Phytochemical	0.41666666	0.875	0.041666668
10	C24 H21 O10 N1	484.1238	484.12466	0.066591635	484.12384	2253	1998	2007	3120	3811	2295	1207	0	3409	17250	9120	0	3024	0	0	0	0	4162	1884	7290	11323	11158	982	0	0	7332	0	3890	0	0	0	0	0	983	25515	0	1522	0	1081	8165	10343	958	0	0	0	6259	10977	0	0	0	3246	0	1967	0	3560	4374	0	0	0	0	0	4331	6590	3943	0	3210	1635	0	9121	13071	20967	1798	1335	0	0	0	0	967	0	0	854	5212	0	2745	3430	1012	2460	946	898	0	0	0	0	11462	9510	0	2276	3058	4482	4441	4062	1189	0	0	0	0	1742	0	893	4199	Phytochemical	0.41666666	0.875	0.041666668
18	C24 H21 O10 N1	484.1238	484.12448	0.04700368	484.12384	18456	23495	19361	14644	19163	12424	4617	1824	25633	95896	52654	2504	34956	8542	4810	5039	3004	20373	21511	52876	69152	60419	4425	8118	3944	51482	2836	40682	0	0	2734	2498	4044	0	117478	1935	5992	3775	3888	51249	52186	8020	760	0	0	45419	42910	0	4176	1653	19877	16140	9940	0	21455	19076	6615	6133	5735	4345	4846	29945	35829	19302	8899	22020	12375	4429	50140	66261	75071	1212	1461	0	1594	0	0	2518	11101	48640	11102	37256	7894	29668	19752	13490	14152	8285	9652	10353	17185	19941	11100	60162	75915	0	20453	17933	14989	18322	18609	3754	3239	4920	23168	6639	14576	0	5068	28615	Phytochemical	0.41666666	0.875	0.041666668
22	C24 H21 O10 N1	484.1238	484.1244	0.007177456	484.12384	12489	10145	13120	9160	12432	7104	1637	2040	12420	53148	27314	2489	13249	7781	2493	2326	0	13443	13664	20108	39473	33426	6538	1623	2859	20082	1844	14690	2541	0	2269	0	3046	0	55010	1144	5004	4142	1863	27834	26549	2436	0	0	0	32725	36153	0	0	1204	9404	12902	5818	0	14930	11925	5410	3539	3828	2336	2497	21465	25324	13841	3465	14290	8298	0	20557	30440	31739	1266	1693	0	0	1385	0	3020	7689	31860	7899	23605	5227	18730	15438	6971	8486	3854	5719	4908	6921	7980	2416	45036	62069	0	10743	10283	14008	9824	11558	2252	1666	4215	23482	2724	7343	0	2722	18492	Phytochemical	0.41666666	0.875	0.041666668
18	C21 H25 O12 N1	484.14496	484.1456	0.019771384	484.14496	122062	109144	112264	115469	124736	112400	48810	96665	131826	185165	87896	64846	244751	62320	95528	78536	58843	218025	193038	241907	245613	168875	106300	99714	53901	89360	43191	57314	98658	76952	80439	83205	93577	80335	211335	97654	100777	67527	41615	181542	122599	80234	5744	639	654	366897	410401	784	81054	91695	125992	114751	95744	685	196570	121808	57658	72868	96355	49759	100802	153048	173231	135970	61372	121672	94616	46218	146415	118704	134798	88527	74367	96830	61281	86594	561	73476	69631	110783	66985	276062	44040	78655	133022	94338	64315	57634	67572	27606	54518	101011	107026	129671	164046	1077	116978	135756	123553	79227	85890	87118	66841	109429	299910	69405	124473	616	51308	184004	Phytochemical	0.5714286	1.1904762	0.04761905
24	C21 H25 O12 N1	484.14496	484.14557	0.080955856	484.145	10475	10487	14226	13830	13345	11036	3090	9217	15463	23265	9207	7665	25643	4482	7161	3783	3890	27384	13568	30621	40546	17606	9104	7131	3298	8553	2092	2964	7199	4066	4475	4502	6885	4468	20122	5304	6969	6765	4144	19174	19113	5209	0	0	0	58885	81653	0	5865	7091	13192	12881	10579	0	15813	9768	5503	6469	6622	7079	8134	23881	18676	14591	3334	11063	6385	4573	15796	29032	21718	8539	5831	9696	8960	5290	0	4851	6178	8308	9156	44472	3018	8902	18868	5541	4033	5131	7566	0	2598	8606	7140	13942	16848	0	12934	13003	11716	7308	7936	4253	5622	8579	58383	4742	12790	0	3137	24776	Phytochemical	0.5714286	1.1904762	0.04761905
8	C21 H25 O12 N1	484.14496	484.14578	0.0647172	484.145	29256	29526	20399	29141	19222	11475	11717	21361	25922	52390	34102	17853	39960	9429	19252	27581	28179	33098	36792	46352	57037	50326	25515	26546	6387	9386	13296	13193	17346	20630	17671	16608	21033	17212	58612	16417	22717	17059	29924	35619	47869	15623	479	0	0	48175	78204	0	20403	24710	29297	24852	18007	0	33104	28601	15299	18076	16835	28341	29595	25920	37903	33147	11959	21743	19397	26108	25750	13564	32381	20241	19427	16581	15770	20329	0	15505	20577	25090	17207	29760	11031	15212	28015	12665	17854	16721	18897	29549	0	20076	28634	40288	45496	0	34626	35731	24898	23130	32371	32592	15991	29773	31086	20845	25965	0	13547	39919	Phytochemical	0.5714286	1.1904762	0.04761905
20	C21 H25 O12 N1	484.14496	484.14557	0.006082563	484.14496	730396	719832	684976	552380	512684	499900	201688	472406	793408	998172	302716	310900	1064668	333680	398292	370424	199628	858976	702588	1227084	1377623	807556	537416	438412	289516	359350	173260	198962	408676	278780	388836	339092	467552	336336	1034804	414500	452964	324972	223220	1008883	506497	296908	16016	2684	2448	1909928	1972860	2500	264568	417336	602416	539536	513984	2944	1079364	424196	253752	268964	556676	228984	405828	751724	900332	675256	240528	533540	312256	187064	563064	573020	616356	517988	509396	381428	228208	459072	2264	300200	289928	447804	326240	1292812	210768	233060	600280	325940	400464	269488	321044	71315	357420	582608	484796	502872	549920	0	558176	507248	578220	293876	343472	459454	271484	386960	1551316	337108	554464	2752	228388	917608	Phytochemical	0.5714286	1.1904762	0.04761905
28	C21 H25 O12 N1	484.14496	484.1456	0.058798227	484.145	9340	8353	8785	7487	8466	9481	1475	7669	7012	24135	6992	3804	12940	4200	4293	3141	3595	14978	9968	32356	34034	7186	5963	4725	0	7801	1915	4002	4730	2604	4955	3780	4835	4356	22340	4666	5224	2608	3970	18136	15762	3310	0	0	0	39007	52569	0	4984	4885	11235	11978	6721	0	7532	5738	2798	5109	4416	4766	3715	13865	9941	5638	2777	7038	5357	2619	18230	25123	24748	5940	3309	6287	4488	3031	0	5662	4340	5212	3494	26268	2707	10352	7142	5429	3039	3280	3289	2365	2127	5890	4685	7735	13210	0	9180	10036	8510	3170	4960	4084	3086	6234	31057	5093	6738	0	2340	11936	Phytochemical	0.5714286	1.1904762	0.04761905
12	C21 H25 O12 N1	484.14496	484.1457	0.054432463	484.145	117468	121944	112562	118711	86719	77040	75426	147435	120264	205333	143267	75016	146053	38902	91176	97219	104822	165454	176804	260119	291252	230473	121113	109385	50040	64993	58703	75984	115273	91206	97810	93375	115844	83398	303113	104103	110544	88264	88605	180442	234483	73113	3809	0	0	299556	404861	0	90351	117260	130396	122256	79317	446	166647	88071	52702	94149	133517	113172	141984	183723	166406	131057	53037	116744	77738	93571	162223	104586	132929	102280	93510	103967	71644	83445	0	83852	87536	174571	81094	200465	69281	88992	115468	77297	82085	57668	78916	90107	56793	94011	130340	205552	180405	616	122360	158272	127381	74347	91375	122559	77241	123007	364299	86353	108571	0	53625	150511	Phytochemical	0.5714286	1.1904762	0.04761905
14	C21 H25 O12 N1	484.14496	484.1457	0.049091294	484.145	175395	157457	148849	153362	140246	125250	91494	169448	187958	281858	177329	99072	265834	81242	135905	137567	116656	264399	234413	364700	394532	320251	161756	161927	92898	98147	73614	92256	149122	139917	124678	149890	154731	116163	390272	149220	143993	107110	101154	233323	224234	107452	7430	497	374	445130	605577	339	113966	154872	166553	161808	119618	700	266146	138316	84594	128653	200000	122946	184264	240990	226504	177479	82859	144224	119025	89229	194926	146402	163587	121192	120598	148486	108883	114526	225	110723	104763	250304	98492	311548	79669	111973	167533	122146	93936	89348	110056	85199	83560	142000	167140	248657	257906	1317	181853	206939	131652	102165	126676	163349	104166	184236	549782	126539	144386	0	67197	220541	Phytochemical	0.5714286	1.1904762	0.04761905
26	C21 H25 O12 N1	484.14496	484.14554	0.002010311	484.14496	8721	7105	9622	6197	12860	11156	0	0	7363	24885	6186	3130	16939	2982	0	0	0	17578	7740	25969	34530	11189	5493	5684	0	7251	0	2373	0	0	4853	0	4998	4314	19445	6171	6555	4833	2910	14249	14886	0	0	0	0	45225	63341	0	4987	0	10937	6590	7074	0	8146	0	0	3403	3257	4929	6291	16037	10429	7659	2520	5892	4505	0	12580	17619	16703	5989	6102	7017	6730	3255	0	3807	3644	0	5148	27562	0	8579	10335	0	2496	4017	3986	2147	2222	2196	4953	7183	11653	0	8778	8152	5582	4094	7613	0	0	5943	35620	3337	7448	0	0	12679	Phytochemical	0.5714286	1.1904762	0.04761905
22	C21 H25 O12 N1	484.14496	484.1456	0.05655428	484.145	26717	21804	24625	21451	29796	33687	8040	22378	38360	47793	21816	13502	48139	15310	20975	15154	12724	49960	34046	55668	65127	27275	22259	19910	10906	21273	7788	11437	15583	18570	16617	10228	14755	17713	42178	18006	15892	11120	10610	36560	36238	16142	0	0	405	109154	157453	0	14950	18396	29354	29030	25237	333	31767	23694	14966	15915	15300	12629	16109	43455	33778	32933	9329	24765	16058	8245	42924	33416	40637	19661	17718	21120	16148	15829	632	16638	21209	27037	16461	91754	11192	22314	42491	23441	9773	15766	13674	5074	9707	11636	20064	25382	44383	0	22249	29448	34969	21182	18344	15942	13478	19074	106913	16290	35111	0	11121	41866	Phytochemical	0.5714286	1.1904762	0.04761905
16	C21 H25 O12 N1	484.14496	484.14566	0.07035057	484.145	174790	145484	154666	169027	156388	128491	73192	151257	182445	279826	134686	89586	287854	77709	152508	116048	103525	281967	264107	357521	353877	279159	152093	136397	85553	115773	63267	80001	134731	122502	121462	133490	134984	109518	347695	137289	151655	108257	74507	239672	190576	101746	6760	460	590	495628	591202	525	128477	148676	154440	159663	132152	728	265938	150652	83699	113850	157842	79142	161387	207441	217735	162970	72131	163048	108789	65935	190621	177039	161559	133257	122304	139647	100903	107443	407	101647	114821	193298	90898	334457	74172	122918	186717	117578	95230	84719	108753	64861	72710	136589	165476	197977	272534	1671	146717	194037	157059	103478	120228	144746	93930	154400	433813	124517	171612	796	67373	220982	Phytochemical	0.5714286	1.1904762	0.04761905
10	C20 H25 O11 N3	484.1562	484.15695	0.07602043	484.15622	18760	17969	16695	13701	6213	9840	9155	27180	10187	13778	8383	14659	12475	2152	18713	14772	14823	17635	19279	13705	12751	26764	19720	19972	11004	0	10785	0	14948	15651	17198	13238	25965	12505	16127	15552	19732	13808	20390	15795	14531	10009	0	0	0	18477	17451	0	17247	16155	14554	16155	8480	0	20699	7084	6690	22225	24705	15028	19749	9110	18940	15034	8902	15095	10178	22169	0	4085	3582	16491	10708	15091	10697	10588	0	13288	14907	5629	13847	8399	8314	3855	7457	7456	14476	13681	11919	30642	6602	22012	39232	13076	11556	0	19839	15952	7463	8982	8696	20610	15722	16282	0	19457	7841	0	9128	16914	Peptide	0.55	1.25	0.15
12	C20 H25 O11 N3	484.1562	484.15692	0.040782057	484.15622	11156	13275	11961	10765	7422	7958	10149	18473	12023	4546	0	10094	8960	1702	15158	10889	17331	13998	15654	7644	7455	19119	17637	14764	9390	0	5200	0	14796	5846	11040	8782	21730	9422	14002	13184	16717	12387	13152	11932	11892	10430	0	0	0	11780	10334	0	10327	14865	14909	10836	8623	0	17554	6124	6688	8853	27054	16944	0	7897	12658	10332	5568	5176	8978	16336	0	4090	0	13402	12790	13008	8648	9331	0	13127	11650	0	10111	8325	7711	4594	6290	7801	10474	7308	9580	14520	4420	19262	27312	0	6196	0	10832	16030	5221	5528	3560	15617	11815	11746	0	16345	4116	0	8747	14438	Peptide	0.55	1.25	0.15
8	C20 H25 O11 N3	484.1562	484.15707	0.10520217	484.15625	13801	16054	15322	18051	8742	7711	8532	13229	10814	8170	8579	11514	15874	2035	11382	16482	16988	12436	16041	13449	14396	26166	18903	24389	5756	0	7012	2862	12950	11735	11128	16152	20870	13298	13153	13692	18008	9649	20896	14029	15940	12001	0	0	0	14977	19140	0	12841	14933	12792	17284	8533	0	20843	8430	8251	15828	11668	16195	14853	12051	25599	15727	6258	15831	10618	22547	0	0	4523	12607	11764	9892	14034	13642	0	13567	14466	5098	11115	8839	7941	2280	10084	8067	12094	11710	12833	24057	0	17718	33075	14241	8375	0	15543	20466	8236	7554	9233	19603	13758	17426	8243	19274	6214	0	7937	21333	Peptide	0.55	1.25	0.15
14	C25 H25 O9 N1	484.16022	484.16092	0.03134845	484.16022	11110	11358	14030	9177	6776	6160	0	4119	9619	64788	35912	3468	8591	5158	2190	6297	0	7252	9785	52244	54090	25303	5483	6423	6550	46844	2910	35088	3963	4750	3865	0	5185	2360	81208	3487	4717	3392	5131	35075	38962	3993	0	0	0	18293	19978	0	4082	0	15347	10660	8583	0	7698	7651	4577	3859	0	6285	0	21476	13921	7363	2974	7488	5184	5310	50874	72610	57879	2960	3252	1425	3907	2990	0	3427	6683	18490	7107	11935	3129	21464	10156	4229	6061	6764	4461	11089	9130	9926	9880	21636	28233	0	13454	15741	8110	6146	8428	3078	2009	6713	26947	6701	7792	0	4114	10978	Phytochemical	0.36	1.0	0.04
26	C25 H25 O9 N1	484.16022	484.16086	-0.05484118	484.1602	3540	0	0	2066	2917	0	0	0	3823	14234	9781	0	7191	2140	0	0	0	0	5203	6591	12080	8034	0	0	0	7696	0	4448	0	0	0	0	0	0	15540	0	0	0	0	10172	7659	0	0	0	0	6411	12402	0	0	0	5209	3287	2645	0	0	0	0	0	0	0	0	4971	4924	0	0	2837	2338	0	14349	16023	24067	0	0	0	0	0	0	0	2274	5908	0	5844	0	3145	0	0	1909	0	0	1801	0	2703	3960	7398	13248	0	3468	0	0	3211	0	0	0	0	0	2158	0	0	0	4262	Phytochemical	0.36	1.0	0.04
12	C25 H25 O9 N1	484.16022	484.16092	0.009186657	484.16022	8608	6189	5315	6913	5632	3542	0	0	5996	28312	25257	2316	9138	2209	1819	2130	0	5944	8440	26075	32137	10313	2972	4263	3199	34128	0	14916	2842	1005	2100	2328	2775	2829	54651	0	4294	2032	2043	18170	25080	2487	0	0	0	9417	13186	0	3152	0	6658	4657	5064	0	6427	5377	3744	3780	0	0	0	11410	9391	4834	2451	5370	3260	0	20650	57302	56434	2278	2225	1405	2433	1336	0	1454	6384	0	4098	6819	1589	15154	5084	2638	4498	3168	2347	8961	4438	6422	2848	17165	16403	0	8383	7189	4858	5879	4761	0	0	0	0	1922	3097	0	2036	4428	Phytochemical	0.36	1.0	0.04
20	C25 H25 O9 N1	484.16022	484.16083	0.019452374	484.16022	27398	34620	31615	30051	26797	20103	8332	5968	30447	127475	69430	6226	29247	18740	9496	14266	8938	23822	31328	80647	87549	57021	12074	9841	16656	90248	7751	61188	10267	7347	5808	7381	21065	7768	149499	7357	13132	5393	5597	75422	61300	9222	0	0	0	44335	51615	0	8823	7100	30169	27858	18055	0	24233	21816	11299	14902	13777	8465	16080	45968	35363	21188	11013	30481	16183	5720	94162	118112	116911	6365	4993	5706	7106	5443	0	6271	16359	43604	8199	29714	8711	67491	28796	12833	21563	14125	17047	10225	21984	27619	20595	49632	76350	0	24340	36884	19472	16364	28498	15006	5307	13163	30231	13596	20711	0	12631	33844	Phytochemical	0.36	1.0	0.04
22	C25 H25 O9 N1	484.16022	484.1608	-0.006588203	484.16022	18834	20538	18104	15700	21411	10373	4654	3764	18713	85608	47191	2833	16736	10174	4780	8684	4494	18100	14358	43959	58029	43684	10495	7749	7873	65230	3672	46002	5305	2417	2659	0	6978	5152	94759	3833	9563	4819	3866	49320	44135	8232	0	0	0	44755	46231	0	5208	4870	21847	19402	13597	260	14909	15067	6723	4529	7801	5158	6466	27574	27482	11276	7622	15712	11814	3929	54708	85451	93699	5838	2184	1492	1790	3126	0	3492	8859	28994	9433	25210	6031	32383	19006	12362	11423	9077	9215	7060	14591	17126	14763	32579	54402	0	15975	18943	13155	16838	12451	9994	2347	8094	26747	11336	11236	0	7051	18002	Phytochemical	0.36	1.0	0.04
24	C25 H25 O9 N1	484.16022	484.16074	-0.033504944	484.1602	4022	7659	6832	9913	6804	4835	1791	2287	7488	43925	20069	1548	9848	5432	3409	2207	2143	8363	9680	20787	30240	16570	3372	3249	2984	25797	0	17029	0	0	2214	0	4287	1791	34593	1870	3160	2317	3307	24533	19924	2016	0	0	0	22600	23337	0	1469	0	6310	4344	5027	0	8061	3891	4152	2790	2038	1600	2275	13946	8046	8714	2445	5445	3727	0	27518	33974	39238	1795	1289	0	0	1738	0	3901	4692	15980	2406	14899	3530	16317	9513	3811	5420	3512	3351	0	4875	4006	3598	23216	26634	0	8972	6480	5911	4174	4171	3128	1618	4844	12288	2591	4455	0	2510	8364	Phytochemical	0.36	1.0	0.04
16	C22 H29 O11 N1	484.18134	484.18204	0.05975378	484.18137	376583	363871	370742	369313	294331	269556	216591	520783	311681	739471	320348	221413	451753	157061	388628	361458	224539	504252	492774	969841	837223	448394	399503	462509	321660	511596	183989	262274	472016	417591	404995	402739	403161	332274	873359	467245	388358	271768	180831	614097	303846	242427	11798	1562	1024	771689	627559	1317	387688	453809	384233	386881	249600	2064	449779	267918	178371	321701	439105	190533	461813	392841	368259	296633	148529	292006	230912	175432	476396	672975	479576	443133	383511	509038	271185	360199	425	275813	247832	280555	233522	453539	276029	333331	322304	215693	226637	183880	229586	212126	263454	373496	575523	243719	451148	3809	378729	456268	264329	169731	217753	406559	233634	483670	486072	367722	289497	1351	226934	363769	Phytochemical	0.5	1.3181819	0.045454547
8	C22 H29 O11 N1	484.18134	484.18213	0.003808713	484.18134	35414	28845	23236	29599	15172	16502	15043	34091	19841	51015	25110	19088	29695	7066	42748	29269	27090	22035	32576	53439	61068	42100	26565	35706	13810	16194	14734	10723	31246	35156	23755	24387	28565	25522	59279	25551	57420	18657	25309	45892	39034	15789	457	0	0	43137	53121	0	36096	36234	28361	27985	14693	0	31015	16501	10765	28743	28345	25355	35389	26608	32732	24707	9614	21601	16131	29480	25396	22833	31365	56404	22757	30324	22620	26380	0	19865	21243	15915	20836	20972	19259	19131	18407	10933	20278	12868	19887	32385	19779	26408	71304	24655	33456	0	31232	32806	15164	17752	22142	30185	17788	43750	21012	23895	16984	0	17134	26913	Phytochemical	0.5	1.3181819	0.045454547
22	C22 H29 O11 N1	484.18134	484.18198	-0.011963847	484.18134	71902	74146	72085	70330	0	63508	32088	0	69704	146390	56171	45217	105621	39309	68105	66200	31989	113378	83815	156149	158077	63227	75061	70753	46411	103704	24093	38066	79501	57056	59099	48132	56407	65372	134641	66220	65349	0	34504	97481	68367	36739	2989	0	505	174235	162107	0	56331	74716	74115	60174	53279	818	102602	71834	34170	59929	42075	30334	55855	82465	82069	65780	29859	0	45776	27290	96603	160085	106788	73770	64519	0	42620	63057	630	54813	55573	32315	52432	101213	39386	67707	99164	58456	37731	0	44890	26338	47965	39898	78967	50011	64330	0	60991	78512	63934	53318	50298	60211	0	68303	131992	55134	65876	0	41796	0	Phytochemical	0.5	1.3181819	0.045454547
12	C22 H29 O11 N1	484.18134	484.18207	0.007633421	484.18134	132481	132774	130510	128830	84672	70301	129085	230004	101296	231530	135700	98547	109898	40815	146009	145935	128495	140465	153756	305482	291430	210708	154953	202478	108268	159814	82655	95910	174630	149249	140969	124753	155138	127584	322151	167357	125668	118048	128294	215121	210307	84587	3039	0	0	252445	273061	0	125949	178384	127530	126733	79388	410	160682	88896	61137	144478	190364	158302	185283	176661	126352	93245	50565	95668	82998	141337	257683	197966	188907	136946	131285	172302	102694	121459	0	120103	111887	110697	109937	151706	112518	116113	108158	76565	99299	60732	83538	124638	81910	135528	180660	137777	138060	1243	139265	194390	95511	63045	83263	159132	101911	197022	210189	118000	101962	360	93379	128297	Phytochemical	0.5	1.3181819	0.045454547
24	C22 H29 O11 N1	484.18134	484.18195	-0.015559385	484.18134	24856	26176	27677	18888	23759	24646	6194	27058	23512	66508	18854	13783	43976	8784	22724	22795	12186	39230	36576	64171	72710	20799	27413	30344	15363	37425	6243	12864	24351	21157	21528	29734	17507	22393	46745	24653	28904	13512	12193	32542	28532	13600	0	0	0	68492	77998	0	19541	30542	27804	23088	21987	0	34990	26728	9694	16621	18603	10259	22062	27684	32333	26894	7711	26623	10385	6965	37237	55232	48644	27632	23594	22111	19569	13198	0	15809	21367	13275	20514	44362	9452	25393	32687	14306	13314	11710	11673	7109	12647	21410	19182	13284	29779	0	24947	25425	21922	19598	21978	16101	11343	22088	47941	19289	19658	0	13228	42267	Phytochemical	0.5	1.3181819	0.045454547
18	C22 H29 O11 N1	484.18134	484.18198	0.046553403	484.18137	333459	320331	318455	300872	269460	243274	165502	423218	288166	624649	252987	180789	470712	155164	307823	294806	162648	484799	430403	817998	654943	334593	314275	381710	255669	431414	136613	194077	382586	337558	304343	306212	317667	298657	663870	0	308104	198442	146251	524730	240437	213150	11348	1345	568	766549	503447	1532	290471	351599	299979	296704	218150	1688	457118	242378	148015	237351	308361	143040	332292	375814	366245	270232	134602	263961	200110	149435	398249	606740	398497	360029	287804	381429	203857	285865	795	245106	223051	197692	211714	435386	186244	260184	290612	202968	172310	158506	189263	121368	233258	305889	382502	186978	347521	2902	333670	400262	256477	161068	199134	314304	185463	398007	419437	243325	225188	1168	178617	366789	Phytochemical	0.5	1.3181819	0.045454547
28	C22 H29 O11 N1	484.18134	484.18195	0.018693006	484.18134	10061	5494	8153	9701	7463	5329	2927	8601	6664	28956	6448	4425	10904	3167	4786	7064	4596	10744	7819	33064	27196	6899	7027	8926	3020	18941	3349	8082	6966	6752	5344	4706	6601	6902	21933	6004	6440	3169	4206	12818	11235	4456	0	0	0	20229	20958	0	8412	8934	9085	6160	5852	0	5298	5137	2927	7318	4393	3722	7133	10079	7118	6308	2650	5946	3855	4287	18007	35822	26102	7055	4982	8236	5987	3459	0	4832	7636	3497	4426	11957	3896	11065	7412	2388	4774	3082	2859	2937	4313	7195	6694	3101	8016	0	9684	7667	6354	4732	4757	5011	3985	8915	13707	5847	3993	0	3703	10964	Phytochemical	0.5	1.3181819	0.045454547
26	C22 H29 O11 N1	484.18134	484.18195	-0.01514389	484.18134	11602	12443	15510	9866	12806	8816	2116	7542	11012	28902	7777	7454	18562	4699	6113	7559	0	17220	16300	36795	36379	10345	10705	11619	6466	18992	1631	5625	9070	8931	7445	5141	7645	7683	28911	8040	7248	8356	5212	24118	10362	0	0	0	0	26916	30851	0	9237	11550	12247	12435	11088	0	15922	7657	4263	5937	6225	6553	5603	13459	12395	8314	3177	8772	6881	4144	18775	35417	28370	10272	10187	10229	10441	6619	0	5970	6381	0	9522	19352	4304	13977	15460	6385	4300	6267	4824	5544	6852	7771	7101	4716	12545	0	11680	17644	8994	4208	4946	0	4671	11960	20561	6595	5805	0	4037	23546	Phytochemical	0.5	1.3181819	0.045454547
14	C21 H29 O10 N3	484.19257	484.19324	0.16777696	484.19266	0	11255	13884	8166	3247	7145	9904	14651	4637	0	0	5034	4441	0	11139	11296	6281	7386	6688	6573	5550	15333	9692	8447	14011	0	6936	0	19930	13160	11341	12699	15959	10709	0	7970	15917	11705	4799	6047	0	6743	0	0	0	5286	0	0	14134	9188	9268	11041	3654	0	6961	0	3489	13128	19104	0	0	4072	5746	0	4028	4732	5774	5231	0	3479	0	7559	8232	9305	4438	6543	0	6939	6386	0	5702	3421	7103	3395	2460	0	11785	5606	4946	8343	12160	18158	27357	0	2295	0	6215	9887	0	1662	0	9226	7552	12762	0	10658	2700	0	7256	7919	Peptide	0.47619048	1.3809524	0.14285715
16	C21 H29 O10 N3	484.19257	484.19318	0.23900631	484.1927	115830	74972	104690	111576	55854	51174	66612	123886	66584	256212	108058	63624	81766	30524	101113	108015	58128	95738	94646	171742	156526	130928	105893	96220	86022	68650	55282	80552	120871	106639	104712	100644	114484	89587	249947	110200	113558	76553	52264	146694	69234	58397	1168	0	0	135630	72358	0	116403	108047	96426	110782	68856	0	123229	54962	39684	120524	121746	44318	101068	83149	95746	78766	28272	72098	56688	57910	79648	138987	82390	103288	105265	115194	51090	105529	0	95806	100869	34860	73522	83514	83002	85550	57491	46902	77220	41303	62332	0	93662	100424	104994	68874	103114	0	105334	110364	55768	46462	42800	105924	69167	95771	61964	74510	49118	0	76998	110643	Peptide	0.47619048	1.3809524	0.14285715
12	C21 H29 O10 N3	484.19257	484.1933	-0.00239805	484.19257	12466	11230	13843	13311	3783	5296	16657	26403	7846	7720	3584	9819	7219	2619	16637	14953	7961	13048	10804	10375	9846	26336	20881	18683	16837	0	6867	0	21614	14733	21291	14586	23207	16239	14005	14854	22382	15370	11135	14695	0	4805	0	0	0	8456	7451	0	16312	19709	16451	8690	9470	0	15419	2959	5882	21095	23779	0	0	5711	8845	6540	4875	9705	8484	11813	0	6046	0	18498	16050	16419	5046	15343	0	14981	13854	0	10371	8849	15125	6660	3961	5821	13327	6137	8769	24450	18560	27332	40893	7214	6014	0	14603	16971	0	1756	2923	21645	13406	23266	0	17794	3834	0	14727	11546	Peptide	0.47619048	1.3809524	0.14285715
12	C26 H29 O8 N1	484.1966	484.19724	-0.11641378	484.19653	5484	5077	5442	5577	2364	2701	2680	1836	3347	22829	23939	1712	1394	991	1625	2479	5427	3114	3721	28520	26046	11588	3603	4852	1880	28632	0	14572	5702	1570	4099	2777	4555	2914	33740	3570	4488	2805	2919	18942	15275	1919	0	0	0	8254	12117	0	2731	3446	5505	5622	3801	0	2974	1596	1044	3842	0	0	0	8005	4789	3383	1129	3617	2709	5054	22001	46165	38506	2978	0	3171	1398	5181	0	2640	4333	0	3801	3135	1451	13220	2069	2792	4453	2488	1719	11465	5374	3474	9127	13582	10607	0	7526	4522	2121	1907	2733	6730	2177	0	0	3812	2663	0	3241	3570	Phytochemical	0.30769232	1.1153846	0.038461536
24	C26 H29 O8 N1	484.1966	484.19714	-0.05388875	484.19656	11900	13840	14663	15310	13043	9229	4218	6700	11689	43202	37372	6103	14861	7509	4712	7055	6029	15653	15252	39243	45196	16863	9608	14141	7297	57867	2368	32716	6772	8076	5737	5285	9837	7335	55256	4796	9636	5201	5459	29691	36283	5067	0	0	0	25490	25056	0	6730	5462	12825	9882	8657	0	11591	7095	5797	11567	6981	4292	10527	20950	12516	12214	3820	11765	10591	4777	56167	67581	78722	7816	6900	3213	4591	3165	0	4382	9938	18223	6775	16667	6694	25132	15944	5002	10870	8551	9411	12008	8739	11086	12350	22837	24812	0	11888	12752	11469	11657	13746	7054	4151	8705	13711	11201	12329	0	7746	10547	Phytochemical	0.30769232	1.1153846	0.038461536
26	C26 H29 O8 N1	484.1966	484.1971	-0.048729498	484.19656	4981	2857	4535	5672	4210	0	0	0	5415	12260	9966	0	4995	3386	0	0	0	0	7647	9932	13785	8634	0	6408	0	19265	0	9521	0	0	0	0	2939	0	13466	0	3744	0	0	12022	13038	0	0	0	0	6183	7689	0	2847	0	4685	3383	3947	0	0	0	0	0	0	0	0	6092	3598	4189	0	5598	0	2543	23802	18796	35115	0	0	0	0	0	0	0	2809	0	0	5728	0	9902	0	0	3530	2857	0	2819	2856	4218	4947	5239	11828	0	4595	0	2715	4782	0	0	0	5466	0	3407	0	0	0	3925	Phytochemical	0.30769232	1.1153846	0.038461536
10	C26 H29 O8 N1	484.1966	484.19733	-0.097057566	484.19653	5346	5059	5247	2818	0	2593	0	2452	1064	17006	10961	1920	1720	1390	0	0	2175	1543	2548	19894	16158	9495	1709	3301	1515	21315	1536	7251	0	1546	2177	2213	3021	1928	22839	1945	2464	1480	2327	11879	9237	0	0	0	0	6514	7611	0	0	2846	4057	5119	1695	0	1238	996	877	2717	0	0	0	4944	1639	2569	0	2282	1916	2183	15047	26708	24608	2330	1875	1335	2596	1951	0	1865	2306	0	1091	3443	0	7574	3012	902	1389	1411	0	4439	0	3381	5705	6840	9189	0	3080	2980	0	0	1780	3212	1460	0	0	0	1453	0	1517	1535	Phytochemical	0.30769232	1.1153846	0.038461536
22	C26 H29 O8 N1	484.1966	484.19717	-0.009251013	484.1966	30137	27010	31231	30645	21444	16827	8833	21435	20895	94843	70647	10593	21331	15461	10817	23870	14031	24256	21637	80633	93369	46004	17147	23389	17082	107788	6889	66895	20740	14564	10949	14335	18425	19937	82048	16343	18789	6607	12145	65194	57781	16037	0	0	0	39791	40640	0	16107	13991	32406	31152	18798	0	18853	17968	12770	20786	10454	14829	28289	44831	19915	20129	9304	28084	22472	12379	102177	115177	135384	18247	12215	9641	8467	8739	0	13068	21260	32037	15175	29199	13917	37906	27142	10676	20565	18661	18732	27212	24555	31826	31105	42577	48931	0	26669	27979	19547	16515	24792	22297	8722	22460	26846	20311	17128	0	16333	29133	Phytochemical	0.30769232	1.1153846	0.038461536
14	C26 H29 O8 N1	484.1966	484.19727	-0.037443954	484.19656	5192	11522	6220	10336	4105	6395	5823	5081	5171	25743	23297	3281	4505	4192	5200	9215	6273	2429	10595	42766	39798	16592	6021	10523	7457	39109	3943	26711	2769	6103	6084	0	5236	6068	40375	7583	6781	4837	10054	27251	31608	3541	0	0	0	9373	11968	0	5565	7815	14025	7204	4697	0	3079	1553	2498	7245	0	7396	0	13983	3868	3662	2674	3322	3266	7461	23892	50059	47915	3689	5371	5784	6427	5785	0	5114	8001	0	3266	5985	3767	20981	4036	4002	7670	4340	2778	20685	8353	7436	8736	9792	19556	0	10530	6179	4198	5731	2327	5978	4863	10341	0	9268	3587	0	6268	4282	Phytochemical	0.30769232	1.1153846	0.038461536
14	C23 H33 O10 N1	484.2177	484.21838	-0.049063627	484.2177	148254	150081	125756	129087	88976	78942	111888	237723	96976	173566	107959	107164	131725	52627	166079	195908	148534	130484	144652	281327	251692	160989	172401	236803	151815	188960	89529	109447	195515	207958	148660	203714	175209	123734	188644	196484	137432	118228	109622	155927	121878	99137	0	382	0	203412	168024	0	165052	191352	121839	125176	87081	681	140281	91203	65385	180348	221078	106267	194363	115935	118083	107885	57958	95252	84914	112443	200893	194892	157972	155764	143934	212617	142154	168089	0	123994	140086	102950	114887	108158	115525	93308	124579	86639	117912	81508	100883	127317	118633	134922	220134	86308	126567	1352	135775	189430	79436	69945	93263	191039	106128	238082	162060	133886	94058	0	107191	97077	Lipid	0.4347826	1.4347826	0.04347826
10	C23 H33 O10 N1	484.2177	484.21848	-0.006487182	484.2177	35863	33572	35892	30693	13205	12562	25629	43141	18353	46906	22297	20490	26985	7878	27764	32717	25276	22363	31664	54128	46920	44195	30354	42535	28571	31070	17258	11174	42204	36508	32160	32494	43180	26260	57769	44469	30967	21003	22199	41034	23975	16155	0	0	0	42726	29782	0	35930	36006	33824	29403	15780	0	28410	15958	10050	40359	32427	25973	33275	27028	17199	19968	9160	20885	18111	24758	22235	32485	29024	32819	35812	44037	23699	34142	0	26338	27528	19617	22804	21896	26316	18658	18858	12532	24466	11188	18402	22822	35322	41936	45329	21547	34320	0	36463	41002	15678	14230	16024	33351	19319	49673	25513	28357	13798	0	20541	23496	Lipid	0.4347826	1.4347826	0.04347826
26	C23 H33 O10 N1	484.2177	484.2183	-0.079544336	484.21768	14781	14029	14316	14789	15424	13736	4252	17912	16317	40164	9820	6250	24021	5780	11964	12999	8379	25062	22093	38157	43995	11332	8376	17342	9099	26686	2508	10294	14777	11361	9346	11632	12400	15687	34196	12296	13444	8757	8164	19637	14117	0	0	0	0	22208	15362	0	11974	11456	14370	13221	11080	0	25631	11409	6209	12494	6670	4966	14034	12522	24365	16222	4862	15096	9881	4679	20012	49174	31636	18888	13700	14662	9692	10071	0	11873	7570	0	11362	11297	7827	10564	17477	8472	12398	6427	10102	4834	10768	10320	18472	6678	13952	0	13166	16607	7007	10827	11491	11851	7501	15291	7581	11290	8871	0	7242	32859	Lipid	0.4347826	1.4347826	0.04347826
8	C23 H33 O10 N1	484.2177	484.21854	0.030055966	484.21774	17753	20605	14324	18480	8547	9078	11202	21214	10359	28549	11446	9533	15278	4489	12520	17230	12142	10253	16295	31561	28622	24728	12305	23975	11518	9710	9657	6688	20463	19307	17550	21383	24068	13550	32788	19667	15911	11338	11872	21790	14504	9912	0	0	0	21892	14190	0	22296	22017	13574	20267	8500	0	14011	8110	5000	19618	15454	10862	30120	10861	13869	11299	4357	11624	7790	13131	6665	18846	13463	20655	17876	18738	10342	16940	0	12590	13391	4826	10450	9078	11157	11665	9148	5279	12397	6987	9135	16873	19712	27547	29084	9152	18753	0	15055	21524	7294	10291	8335	19534	10783	32377	7736	17378	5950	0	10255	12336	Lipid	0.4347826	1.4347826	0.04347826
12	C23 H33 O10 N1	484.2177	484.2184	-0.047922038	484.2177	56756	62448	56452	56049	30518	28716	53811	112545	36407	62568	38998	46453	47506	15031	68542	64290	69498	41548	64328	111680	100647	73448	73602	80913	60859	70201	32948	35152	87172	71154	70821	55682	70016	51451	96636	71106	52951	55141	61339	68057	62432	40820	867	0	0	82198	73842	0	61777	76689	56055	54640	33858	0	62710	40761	24039	66991	74592	73544	64721	50272	39227	35316	20248	40479	33099	58403	51955	83050	61756	49803	58978	79905	46994	61754	0	54540	53926	35317	53128	50946	59403	43093	41065	31408	53837	22514	35243	66546	46270	63626	94885	34739	45916	532	60363	73896	36981	25034	35173	69780	46283	79817	61610	60763	41857	0	46357	46457	Lipid	0.4347826	1.4347826	0.04347826
14	C27 H33 O7 N1	484.23297	484.23367	-0.06353073	484.23294	2527	2666	2413	3778	3361	1527	4004	1928	1966	16506	5840	1793	0	3335	1672	5709	4846	2592	2032	29063	20044	0	2013	4732	2404	22049	3857	9740	2178	1181	1209	0	4324	4255	12847	2498	4310	0	4169	11436	5947	1493	0	0	0	3995	7036	0	3312	2881	3179	5752	2600	0	2592	983	979	5593	0	0	0	2654	1833	0	1031	1921	2215	6084	13071	28945	28118	1431	2614	2457	4417	2620	0	2799	3154	0	2886	2109	1094	9130	1485	0	3126	0	2289	11777	9717	2548	11833	4899	10121	0	4446	3573	1712	1107	1717	3244	1213	3976	0	5742	1812	0	3594	0	Phytochemical	0.25925925	1.2222222	0.037037037
26	C27 H33 O7 N1	484.23297	484.23352	-0.019830214	484.23297	8357	6550	7600	6889	9199	4394	5003	0	9143	15749	18175	4066	6968	5140	0	6681	0	0	9183	22161	21007	9317	4847	8170	7408	40789	3622	19712	5647	0	5461	4848	7200	6882	14825	8818	10555	4973	5205	16171	17619	0	0	0	0	9623	8164	0	9707	0	9447	11985	5283	0	7701	8229	4551	6118	4551	4097	11198	11347	3402	8014	3540	7262	9001	8480	49371	33252	48055	6715	5734	0	0	5907	0	4528	8742	8413	7127	6399	5109	14523	9561	0	8655	6077	4372	7056	5093	10919	15919	9278	9911	0	9176	9121	3631	6626	10774	11316	3271	7666	7066	9864	5175	0	8597	3402	Phytochemical	0.25925925	1.2222222	0.037037037
20	C27 H33 O7 N1	484.23297	484.23355	-0.09966295	484.23294	27462	34542	27412	26411	15456	10623	17273	22632	12915	45048	39059	16584	11830	14162	17228	34060	25496	9579	27611	55945	61861	34449	17113	32003	20984	90946	13398	38379	21184	21415	20945	29682	28288	20897	39440	20000	24628	18599	30994	44383	53411	15413	0	0	0	16298	27682	0	21014	25207	27208	24424	16276	0	12990	9111	9099	32870	17546	21909	37022	29218	11406	10350	6660	14877	19614	32598	79748	83581	103849	21676	20541	12940	22858	22455	0	15506	27184	31286	15867	12087	14899	38238	16728	11608	35323	18070	13818	48930	37369	38882	56039	30111	26047	0	28660	29991	13825	9220	14662	32894	10989	29508	14047	29565	10593	0	19688	18727	Phytochemical	0.25925925	1.2222222	0.037037037
16	C27 H33 O7 N1	484.23297	484.23358	-0.0853293	484.23294	6876	6867	8915	7449	3424	0	4051	4713	3650	12847	9286	3694	2267	2328	5448	10355	10216	0	4023	29709	22596	9195	2432	6325	2978	24402	4746	15486	5525	5455	3761	6813	0	6894	12153	9381	5469	2891	9825	19186	16002	5108	0	0	0	6674	5279	0	8564	3697	6022	6199	2639	0	2668	2200	2117	9182	1650	5841	0	5302	0	0	2500	1691	3283	11814	18747	40288	33919	4084	4282	2455	10643	8188	0	3203	6674	6558	6672	3481	4075	7628	3035	2196	10058	4032	3877	0	13592	7933	0	5003	10825	0	8563	3638	2059	2696	3909	4246	3422	4644	0	0	1695	0	6416	1937	Phytochemical	0.25925925	1.2222222	0.037037037
18	C27 H33 O7 N1	484.23297	484.23355	-0.11147053	484.2329	12944	15797	13514	16034	4566	8934	6146	15315	6866	22498	22384	7758	4094	5653	7395	20231	14076	6030	11230	37676	36997	15766	7114	16374	11782	48294	12234	21830	8890	11525	12739	10211	17243	12035	24948	8670	15002	10581	17389	30739	29919	8411	346	0	0	12641	12372	0	14526	10558	14682	17079	6674	0	5263	4339	6050	17443	5108	15205	12704	11330	8726	3643	8053	5986	8635	23116	37473	46595	62706	7134	8413	11298	14601	14116	0	6959	17271	16318	9591	4962	13787	19350	8834	4531	19876	8318	7232	31691	22729	16731	29400	11554	15680	0	19345	7789	5368	6823	4099	16949	7323	16135	5217	18171	6012	0	13118	5348	Phytochemical	0.25925925	1.2222222	0.037037037
12	C27 H33 O7 N1	484.23297	484.23367	0.04420722	484.233	3002	2978	3607	2332	1933	2058	0	5714	1243	8060	7485	1616	0	1325	1136	0	0	1788	0	18073	12590	0	2690	3610	1644	22655	1366	0	3919	2279	2208	2972	4016	3681	13734	2557	3461	966	3084	7209	0	1154	0	0	0	5334	4371	0	2178	0	1987	0	1062	0	0	0	1293	3549	0	0	0	5500	0	0	731	1251	1401	0	0	29721	25970	2482	0	1768	2843	2004	0	1442	2895	0	1307	763	0	3890	1047	0	3147	1256	2549	9976	6994	0	3456	4151	3650	0	0	4686	0	1109	1230	0	1424	0	0	3689	1373	0	2759	0	Phytochemical	0.25925925	1.2222222	0.037037037
0	C20 H37 O12 N1	484.23886	484.23972	-0.08597946	484.2388	5565	4692	3762	5458	2804	0	4161	5942	1453	1372	0	4504	5941	0	2932	0	5836	7593	3845	0	0	0	2689	2744	1412	0	0	6207	11188	4289	7492	8907	9685	31192	1437	9047	12244	2579	8081	0	0	6852	0	0	0	0	0	0	11821	2542	4888	4210	2523	0	1665	717	1297	2985	0	0	2589	0	3456	3388	1464	8475	5985	10759	0	0	0	39189	24565	10424	0	10145	0	3813	2258	2223	2239	1463	0	0	991	1824	1761	10553	4873	2069	3686	1961	2007	0	0	0	5138	7426	1323	427	1390	6490	3309	0	0	4342	0	0	2002	7267	Lipid	0.6	1.85	0.05
10	C21 H33 O8 N5	484.2402	484.24033	0.3162566	484.24036	3720	6504	0	7258	5144	4850	6152	6166	0	3104	0	0	0	0	7960	3004	2170	4352	0	2638	0	0	4442	6968	17787	0	1762	12900	0	2190	0	3558	9042	7308	3632	10366	2676	7868	1158	5966	0	0	0	0	0	0	0	0	5920	4244	4344	3046	0	0	0	0	4082	0	0	0	0	2490	0	0	0	0	0	0	0	0	0	2302	7388	4436	4050	12798	0	7388	3302	0	0	0	0	2836	0	0	7128	2724	1626	11266	85962	16848	16872	0	5954	0	1301	4106	0	0	0	2272	2462	10688	0	13200	0	0	3820	0	Peptide	0.3809524	1.5714285	0.23809524
4	C21 H33 O8 N5	484.2402	484.2415	0.24046408	484.2403	1246	1483	854	1115	521	1059	657	823	477	0	0	526	1249	0	1269	1229	851	821	976	0	0	1141	907	1322	984	0	0	3855	1101	1233	994	842	846	1235	0	860	1506	1058	1430	0	759	0	0	0	0	0	0	0	0	1134	1164	1119	0	0	755	0	0	1931	0	0	2352	0	421	461	0	1571	331	0	0	0	0	987	924	839	0	0	0	997	1216	22452	0	0	370	0	438	339	1048	0	386	2565	46564	14988	2924	3620	0	0	1154	1487	494	707	1211	944	487	0	0	1290	294	0	803	462	Peptide	0.3809524	1.5714285	0.23809524
8	C21 H33 O8 N5	484.2402	484.24094	0.14165007	484.24026	1653	2464	0	1493	1590	822	991	2245	0	0	0	795	0	0	762	3736	0	791	1351	0	0	3286	2371	0	5361	0	1470	7602	4219	1034	982	1433	1462	1218	0	1389	3526	907	1069	0	696	0	662	0	0	0	0	0	2038	0	0	1194	0	0	0	0	0	3116	0	0	0	0	0	867	0	1225	0	1082	0	0	0	1235	0	1390	0	1010	0	635	1702	8463	0	0	0	0	1805	0	1849	0	1107	1367	34383	11131	6139	0	0	0	2004	0	0	0	0	0	703	1494	0	3538	0	0	2526	0	Peptide	0.3809524	1.5714285	0.23809524
2	C21 H33 O8 N5	484.2402	484.24054	-0.08247407	484.24014	2720	2566	1489	0	766	0	1582	4399	0	567	0	2134	3331	568	1553	1069	2662	4001	1650	733	631	1436	1501	3679	0	0	0	3370	2957	5390	3191	3411	2667	9829	601	5126	3458	1285	2811	0	0	0	0	0	0	472	0	0	6249	2375	1764	2792	883	0	888	297	418	2609	475	297	1525	0	0	1150	0	4616	1621	4073	0	0	0	10370	8157	4899	1925	2984	0	1899	1706	29186	1451	0	675	0	716	614	1823	4032	1330	3461	16083	11589	3040	2872	0	0	2348	2115	877	341	308	3157	1974	537	385	2184	566	0	1088	3023	Peptide	0.3809524	1.5714285	0.23809524
6	C21 H33 O8 N5	484.2402	484.24103	0.13715638	484.24026	0	1517	1602	1506	3360	1117	734	1261	0	0	0	0	709	2661	1150	1701	0	748	1372	0	0	0	712	2010	1001	0	619	4903	1357	0	929	1317	1390	0	895	0	0	965	1489	0	0	0	0	0	0	0	0	0	1746	654	1477	1177	605	0	1463	0	1363	1987	0	0	0	0	0	0	0	0	0	0	0	0	0	839	1079	0	0	786	0	0	872	14182	0	0	0	0	912	0	1378	0	919	0	38254	15532	2866	1486	0	0	1296	1317	0	0	787	2602	630	0	0	1074	1241	0	1211	1580	Peptide	0.3809524	1.5714285	0.23809524
12	C24 H37 O9 N1	484.25412	484.25482	-0.027798962	484.2541	6685	5107	12283	8910	2598	3920	10764	16602	6681	4701	4023	7403	4675	2284	12926	12733	15508	7832	7348	16376	11495	6328	12224	14211	13080	7201	7470	0	17278	14810	15953	11069	21027	9365	15008	18488	13437	11578	11890	10156	4342	4632	382	0	0	9665	7501	0	12618	12894	5386	5605	3807	0	4763	3877	3372	12704	6824	7075	0	4583	6989	5092	1974	5725	7069	11146	0	7878	6906	9970	11318	16380	11433	9227	0	11933	9296	0	7504	3551	6595	4892	5178	4434	14916	3141	5903	9318	14873	15282	20572	3798	2009	0	8406	10547	3982	4035	3513	9427	7020	13236	0	13889	5158	0	8726	4503	Lipid	0.375	1.5416666	0.041666668
14	C24 H37 O9 N1	484.25412	484.2548	-0.05922045	484.2541	20906	14225	20703	22206	13783	12701	19225	33070	7665	12695	11050	19681	11492	8325	25093	33248	31226	12612	19464	33359	25233	16908	27386	38670	27288	18321	17757	13775	29860	44288	24017	28690	32331	19043	19997	34629	25068	21398	29735	16559	11259	15220	0	0	0	25738	19129	0	36160	36443	20834	22613	10660	0	12716	10865	9573	30582	26638	22710	37086	8802	12550	12781	7811	13409	11260	26663	16585	14967	14530	15384	27389	32934	31492	25187	0	20745	27804	14599	18175	12594	15058	9454	15987	11696	25162	8729	12759	17235	25758	20299	53022	9065	17689	0	13719	27667	7994	12486	16281	35340	17762	41532	0	22939	12693	0	14138	9534	Lipid	0.375	1.5416666	0.041666668
26	C28 H37 O6 N1	484.26938	484.26996	-0.046805143	484.26935	8490	10538	10859	10787	11152	4048	5010	11410	6829	13761	22397	5917	6007	4593	6685	17199	11902	5140	8045	23154	19368	11166	6729	15444	11325	61890	4795	25944	12363	10856	10914	15531	16322	14725	11949	14756	15364	7664	13063	19883	18119	7304	0	0	0	11793	8352	0	12098	10877	13068	13377	9915	0	10561	8870	4332	14114	10451	8179	18354	12065	4453	7950	2992	7524	11549	13256	49010	28710	44887	9567	11643	9684	7566	13111	0	6893	15775	11130	7303	9773	11851	21260	10193	8363	16642	6399	7947	13499	11864	9666	18870	11658	8452	0	9365	9720	5238	13240	8954	14416	3950	17832	0	16068	9488	0	11461	6457	Lipid	0.21428572	1.3214285	0.035714287
22	C28 H37 O6 N1	484.26938	484.26993	-0.09387793	484.26932	11006	13720	11118	9997	7706	5996	9524	12729	5149	10477	16597	10606	2818	0	11609	21359	18607	4028	8512	20998	17621	7425	11348	13689	9468	47863	9633	18260	11186	16249	11464	13913	18821	14566	11016	18620	12890	7553	16656	19574	29010	8186	0	0	0	9136	11930	0	13221	14643	15423	15345	11774	0	4464	4909	5943	19059	5465	14114	22822	13372	4728	4344	5905	6065	9055	20156	33684	34951	48130	8550	10581	12062	12552	13286	0	6426	9468	10566	10861	4340	11488	16167	9016	7308	20222	8641	11513	29925	11491	12830	21876	8240	12051	0	13710	15077	5534	5247	5523	22178	9415	16916	5318	16578	4245	0	12825	5179	Lipid	0.21428572	1.3214285	0.035714287
12	C28 H37 O6 N1	484.26938	484.2699	0.17353734	484.26944	0	0	0	0	0	0	0	2555	0	0	2830	1082	0	0	0	1526	0	0	0	4020	5106	0	0	0	1899	2642	0	8941	0	1321	1583	2121	3002	2015	2470	1125	3225	1013	2316	0	4964	0	355	0	0	0	0	0	1959	2591	0	0	0	0	0	0	0	2710	0	0	0	2813	0	0	0	0	0	0	20256	0	0	2140	1523	1516	2290	1206	0	1142	0	0	902	0	0	1409	0	0	1727	0	0	0	3384	0	0	0	2165	0	0	0	1728	0	0	0	0	0	0	0	0	0	1292	0	Lipid	0.21428572	1.3214285	0.035714287
16	C28 H37 O6 N1	484.26938	484.26993	-0.032032903	484.26935	2242	2024	0	1446	0	0	0	0	0	0	4268	0	0	0	0	0	8672	0	0	4848	4088	0	0	0	0	11620	1959	5635	2426	4023	1302	0	0	0	3293	2058	2598	1110	1408	3085	1721	0	0	0	0	0	0	0	1671	1377	1467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52057	3242	6112	6197	0	0	1355	1645	2805	0	0	0	0	0	0	0	1330	0	0	0	0	0	0	3886	0	0	0	0	0	0	0	0	0	0	17776	1284	1792	0	0	0	0	1145	0	Lipid	0.21428572	1.3214285	0.035714287
6	C21 H41 O11 N1	484.27524	484.2762	0.35697562	484.27542	642	867	632	0	14811	783	0	0	0	0	0	0	2817	7848	0	0	0	0	0	0	0	0	0	887	0	0	0	3991	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4223	0	0	0	6318	0	0	0	0	0	0	0	0	1645	2718	0	0	0	0	0	0	0	0	0	0	0	0	60936	0	0	0	0	931	0	0	0	0	0	54937	13972	2554	4296	0	0	1212	859	0	0	0	0	0	0	0	0	4374	0	0	740	Lipid	0.52380955	1.9523809	0.04761905
4	C21 H41 O11 N1	484.27524	484.27628	0.01917991	484.27524	0	0	584	0	7848	729	0	0	0	0	0	0	659	15056	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	576	0	0	0	0	0	0	0	0	433	414	3055	0	396	0	4398	0	0	0	0	0	0	555	0	557	2417	0	0	0	0	0	0	0	0	0	0	0	0	35505	0	0	0	0	0	0	0	0	0	0	24726	6954	0	1093	0	0	655	447	0	0	0	0	0	0	0	0	2231	0	0	271	Lipid	0.52380955	1.9523809	0.04761905
26	C25 H41 O8 N1	484.2905	484.29108	-0.098134235	484.29044	21013	14544	20241	20039	27934	13540	22217	25055	24898	19968	9005	5133	28166	15005	21358	22151	8144	30163	50142	35347	25920	19207	15402	23241	25105	14408	15570	17173	31009	20814	22178	20269	36503	21875	36618	25207	45473	14712	13999	20892	7217	16589	0	0	0	18486	8587	0	21711	14278	17857	16483	23267	0	39654	26295	15372	23018	25703	4881	21650	12054	28632	19865	7588	27672	27418	10499	10178	26471	10775	23603	19732	21820	11410	21455	0	16983	17730	9221	15173	6880	24651	14441	24609	13421	22702	11096	17884	12331	36935	42113	29186	10093	11492	0	21165	20554	12693	20249	22158	37848	8956	26976	15121	22680	12580	0	11629	23553	Lipid	0.32	1.64	0.04
18	C25 H41 O8 N1	484.2905	484.29108	-0.10703897	484.29044	7902	9155	9161	5230	2761	3420	9025	12409	2994	2518	0	9434	3221	3912	9274	20152	15028	4871	6514	7334	0	2239	9492	7381	5731	0	6633	3840	12006	14449	9154	10762	13021	7533	0	16692	10721	7326	12710	2132	1732	6357	0	0	0	2761	3269	0	10316	14982	5217	7061	3910	0	6682	6198	4452	11975	3907	7232	14297	2343	4201	3276	5906	6136	5525	15935	3971	0	2455	4030	11305	13696	16468	13788	0	6298	8355	4436	7697	2839	8296	1393	12529	7281	8016	5275	5035	10934	7788	4777	8426	1356	5120	0	6757	8654	6336	4110	8647	14318	5562	10338	1688	6325	3817	0	9489	3353	Lipid	0.32	1.64	0.04
20	C25 H41 O8 N1	484.2905	484.29105	-0.096647225	484.29044	27031	17854	24436	22589	23885	12867	33168	29036	18342	6921	7918	22035	18858	13676	29982	41279	33670	26805	36422	20048	20319	14138	22847	37450	28152	20442	26015	9025	35317	32099	26785	29744	34352	24546	10404	41531	37248	20524	40138	9728	6760	20828	644	0	0	14767	11569	0	29716	34005	28983	26845	23154	0	31521	23596	11850	31691	19755	17440	32511	8607	20325	25135	15017	22299	15378	32647	9723	14570	16548	22180	27791	37774	36469	32277	0	22972	24382	12149	20362	7020	38850	14542	31608	21959	31082	18758	22387	27818	37657	26163	30874	8981	17598	0	25425	34033	14093	20488	26701	34640	18288	27679	9827	27056	22812	0	23572	18927	Lipid	0.32	1.64	0.04
22	C22 H45 O10 N1	484.3116	484.31223	-0.049916152	484.31158	0	0	3840	5198	13683	9172	0	0	6851	0	0	0	8734	10910	2340	0	0	0	0	0	0	0	0	0	5781	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30001	0	0	0	0	0	0	0	0	0	3382	17845	738	52482	0	88303	0	0	0	0	0	0	50386	135790	70363	114982	0	0	0	0	0	0	0	0	0	0	0	0	1404	0	0	0	0	11243	32126	0	2833	4672	0	0	0	0	0	0	0	4573	4250	10570	0	0	0	0	0	20023	0	7177	0	0	0	Lipid	0.45454547	2.0454545	0.045454547
20	C22 H45 O10 N1	484.3116	484.3121	-0.1879118	484.31152	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1046	0	0	0	0	514	0	0	0	0	0	704	0	0	4066	0	0	0	0	0	0	0	28709	0	0	0	6335	2036	7811	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14228	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13989	0	0	0	0	0	Lipid	0.45454547	2.0454545	0.045454547
10	C23 H41 O6 N5	484.31296	484.31323	-0.12005582	484.3129	0	1236	1006	0	0	2377	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32381	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	147452	0	0	0	0	0	0	0	0	0	0	210035	55867	0	10683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.7826087	0.2173913
6	C23 H41 O6 N5	484.31296	484.31357	-0.20977113	484.31287	0	0	0	0	812	0	0	0	0	0	0	0	0	2396	0	0	0	0	0	0	0	0	0	0	0	0	0	9639	0	0	0	0	0	0	0	0	0	0	0	0	690	0	0	0	0	0	0	0	0	0	0	0	622	0	0	0	2057	0	0	0	0	0	0	0	0	0	2757	0	0	0	0	0	0	0	0	0	0	0	0	75387	0	0	0	0	0	0	0	0	0	0	54414	15673	0	2145	0	0	0	0	0	0	0	0	0	0	0	0	422	0	0	0	Peptide	0.26086956	1.7826087	0.2173913
8	C23 H41 O6 N5	484.31296	484.31378	-0.010439452	484.31296	1614	0	0	0	0	3842	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	343765	0	0	0	0	0	0	0	0	0	0	158544	36881	0	19323	2428	0	0	1244	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.7826087	0.2173913
12	C23 H41 O6 N5	484.31296	484.3132	-0.23240243	484.31284	0	0	1557	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35168	0	0	0	0	0	0	0	0	0	0	112841	36586	0	3881	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.7826087	0.2173913
26	C26 H45 O7 N1	484.32687	484.32733	-0.09604222	484.32684	7127	3574	6857	6590	6687	4299	51308	8575	3606	2049	3257	0	6543	10299	0	5627	0	4811	11306	0	0	2195	0	0	5749	0	38317	10726	11705	12094	5124	8459	15476	4512	4226	6723	13177	4787	4421	2049	0	0	0	0	0	0	0	0	7228	6187	6539	6322	5683	0	12311	6433	0	7816	9336	0	6726	3544	4167	4031	7643	14497	13264	3203	0	1534	0	5073	4172	10807	0	6438	0	4296	2249	0	3050	0	11255	6714	7483	7516	9324	4301	4570	4065	11895	12706	4598	0	0	0	5375	6267	2710	4701	5071	11755	3026	0	13569	5430	0	0	5382	3871	Lipid	0.26923078	1.7307693	0.038461536
24	C26 H45 O7 N1	484.32687	484.3274	-0.07330083	484.32684	4896	4888	6499	5417	5249	4717	58398	5876	2651	2054	1497	2053	4775	7752	5057	6168	4541	4675	8068	0	0	0	3207	2561	6183	5352	42596	4570	4395	7043	6523	8495	10474	6820	1712	11949	8988	6685	7772	984	3131	2481	0	0	0	1464	2236	0	7776	5991	4911	6115	3272	0	9393	3209	1641	6411	2618	3781	4936	1599	4707	2255	5384	10184	13590	6042	1440	1381	0	2377	9359	12621	5645	8825	0	4658	2177	3708	1316	2233	18920	11229	5215	6630	8409	2736	5828	4271	13100	8678	3422	0	1714	0	4941	4500	1276	2964	5633	10231	2979	4390	3212	3178	2894	0	3515	2774	Lipid	0.26923078	1.7307693	0.038461536
10	C30 H45 O4 N1	484.34213	484.34268	-0.065037936	484.3421	1566	1352	0	2403	0	0	12070	8172	0	0	0	5662	0	0	979	0	0	0	0	0	0	0	0	0	0	0	15701	0	3510	36526	16117	4386	0	0	0	13265	1361	0	0	0	0	0	0	0	0	0	0	0	0	20122	1345	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1637	3118	110210	3528	14385	0	7736	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4902	0	0	0	0	0	0	0	Lipid	0.13333334	1.5	0.03333333
24	C23 H49 O9 N1	484.34802	484.34888	-0.09133411	484.34796	1623	2251	2028	1254	0	0	0	0	0	22070	2584	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6241	0	0	0	0	0	0	0	0	0	0	1593	0	0	0	0	0	0	0	111000	0	0	65328	0	0	0	6647	8603	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1616	1599	0	0	0	0	0	0	366195	0	0	0	0	0	Lipid	0.39130434	2.1304348	0.04347826
26	C27 H49 O6 N1	484.36325	484.36276	-0.16567338	484.3632	0	0	0	0	0	0	59512	0	0	0	0	0	0	4046	0	0	0	0	0	0	0	0	0	0	0	0	51324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3475	4141	0	0	0	0	0	0	31671	3058	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22222222	1.8148148	0.037037037
14	C23 H16 O12	485.07144	485.0722	0.089823015	485.0715	5409	7739	5456	4151	12394	3476	0	0	16781	10187	7559	0	13694	3116	0	0	0	8543	6013	3571	8227	16463	3271	0	0	1378	1491	0	0	0	0	0	0	0	25867	0	0	0	0	2090	9944	1955	0	0	0	6445	15580	0	0	0	3029	5054	5015	0	13866	11097	3552	0	0	0	0	0	26659	13080	4184	20630	2671	0	0	0	5767	0	0	0	0	0	0	919	5311	0	3198	7784	0	1594	12311	2706	4867	2176	2483	6108	0	2210	0	28433	19402	0	7559	3786	12582	21023	14122	0	0	1973	0	0	10430	0	0	16766	Phytochemical	0.5217391	0.6956522	0.0
18	C23 H16 O12	485.07144	485.07214	0.105800234	485.0715	15472	16863	12443	15948	32702	11539	1946	0	29326	25062	17233	1578	54337	11295	5356	0	0	28549	24511	12817	18283	46407	12357	4468	1481	5311	2228	3226	0	0	0	0	1927	0	46962	0	3366	4209	2343	11317	17492	6667	1303	0	0	11599	31320	658	1630	0	12221	18303	20085	0	27906	27610	11189	3363	3266	2864	0	12906	62336	34255	10826	37875	11829	1584	5797	5478	7047	0	0	0	0	0	0	0	13796	30606	15613	23235	2940	5775	37923	18559	11690	9684	8917	0	0	2449	5022	52594	52309	0	16813	10549	30864	40522	32174	2953	1620	0	17882	2406	23096	0	2401	48255	Phytochemical	0.5217391	0.6956522	0.0
26	C23 H16 O12	485.07144	485.07202	0.00367909	485.07144	8029	10150	8258	5629	19711	7354	1617	0	19368	15061	0	0	36782	8185	0	0	0	29737	30947	6524	5529	23570	5751	0	0	0	0	0	0	0	0	0	3251	0	15768	0	1747	3857	0	2865	3025	0	0	0	0	0	7025	0	0	0	11259	4319	13597	0	23368	21549	7612	0	0	0	0	0	37495	20488	6317	24268	4099	0	0	3916	6523	0	0	0	0	0	0	0	17258	10278	13741	5459	0	0	27479	14510	9665	3967	4365	0	0	3963	0	20246	31365	0	7265	8138	14136	22953	24186	0	0	0	0	2334	15706	0	0	36283	Phytochemical	0.5217391	0.6956522	0.0
16	C23 H16 O12	485.07144	485.0721	0.011738254	485.07147	13769	9558	6455	12053	22756	8281	1626	1639	22352	23929	11959	1726	32211	4342	1496	0	0	22965	22535	10365	18549	41747	2729	0	0	0	2134	1931	0	0	0	0	3434	0	33837	0	1603	2443	0	11350	9684	2461	405	0	0	10650	20522	416	0	0	8110	12484	13686	0	20099	24700	10127	2233	0	1809	0	9495	42876	18757	6030	22321	6159	0	5023	2163	6498	0	0	0	0	0	0	0	9689	19518	7826	17017	1281	2862	32875	10495	9651	6197	5310	0	0	0	0	41598	33153	0	11808	5741	23891	27318	27315	1757	0	0	5829	0	19388	0	1184	36796	Phytochemical	0.5217391	0.6956522	0.0
28	C23 H16 O12	485.07144	485.07208	0.10131446	485.0715	9211	6717	10237	7255	18518	8592	2812	0	18026	9413	1540	2400	32140	8835	4747	2686	0	24055	20896	4725	6415	13301	4273	2427	0	0	979	0	0	0	1355	0	2704	0	15591	0	2005	2875	1389	2155	3680	2894	0	0	0	4764	5706	0	0	0	7025	7318	10908	0	22917	14242	5451	1281	1504	1709	2066	2652	30928	16033	3812	20028	4107	1060	0	4956	5836	0	0	0	0	0	0	0	11308	9267	10771	2457	1713	1726	23318	10196	8318	3238	4283	2649	1269	4342	3611	17783	23312	0	7218	7343	12851	17898	18713	3010	1259	0	5232	2144	13469	0	1716	28900	Phytochemical	0.5217391	0.6956522	0.0
20	C23 H16 O12	485.07144	485.07205	0.018900866	485.07147	16766	20355	19784	12680	40734	17173	2070	1816	36297	31734	12457	1406	51969	11790	4974	4792	0	42938	36908	17533	18410	44775	5927	3947	4453	4656	2584	1896	0	0	1398	0	3904	0	43417	0	7011	7339	2051	12190	10287	5401	625	0	0	13275	17885	1289	1753	1647	18596	20251	20246	0	32875	31006	14125	2326	2192	2134	3412	10076	58909	32504	15551	47148	7545	2929	5836	2546	9926	2343	1289	0	0	0	0	3402	17600	26731	19710	15608	2529	0	46069	21519	14044	8613	11253	5126	3219	8829	8599	52531	43048	0	15152	15902	25967	43244	41112	2977	2914	4135	20990	3256	31406	0	3113	56156	Phytochemical	0.5217391	0.6956522	0.0
22	C23 H16 O12	485.07144	485.0721	0.06334095	485.07147	11657	14857	11614	11843	32672	14402	2281	2831	33311	22429	8193	1586	37695	12304	4864	3903	2497	40773	25817	13209	10482	25252	8615	4302	3997	3047	3662	1826	0	1357	2634	0	4877	0	21807	0	3618	4787	1869	6868	7430	3127	0	0	476	10751	18891	0	0	1283	9128	10593	17319	667	31340	29512	10667	4207	2297	2081	2191	9889	53373	32505	11807	32650	7985	1864	6206	4320	6482	0	0	0	0	1736	531	1661	16455	14921	16259	11045	1784	3949	38468	21524	15557	7890	10697	4558	3795	3756	7059	32915	41525	0	14982	10337	24403	31989	31054	1660	2354	2789	9623	2570	23438	0	4991	45874	Phytochemical	0.5217391	0.6956522	0.0
24	C23 H16 O12	485.07144	485.07202	0.008993766	485.07144	9273	7354	12987	8984	17436	9451	0	1488	23182	13131	1711	1914	40483	8980	6615	3144	0	30046	17497	6533	7400	17864	10161	4023	3141	1893	2769	1249	0	0	0	0	4258	1276	24203	1300	2874	5044	1190	4860	6799	2817	0	0	0	7327	9635	0	1444	0	9917	10485	11485	0	27377	23032	9546	2201	1731	2164	1716	5541	37916	23067	5428	25348	5198	2008	3118	3035	3589	1012	0	0	0	0	0	1765	15196	14112	14735	6102	2805	2812	27918	12683	10296	6677	8325	3045	2105	2532	2077	27213	30380	0	8071	7683	14548	25280	24804	4042	1815	1477	4582	2109	20418	0	2043	41163	Phytochemical	0.5217391	0.6956522	0.0
12	C20 H20 O14	485.0926	485.09338	0.20678097	485.09268	34964	31392	23146	27162	84544	26668	5222	3672	88447	22523	19548	12392	127929	18312	10168	7744	11382	57730	70619	9280	33251	85272	30242	9156	0	1914	2684	0	0	4014	4786	3860	14818	4512	36942	3914	14864	18460	6340	17652	20834	22482	0	0	0	16454	84061	0	6878	8042	33920	21576	36080	0	74593	81219	31374	12340	0	0	0	23700	172615	90912	26400	93001	28528	12774	0	0	10361	4156	0	0	8954	4822	0	12902	22934	0	21226	30171	4430	2850	78236	23082	21222	23958	25608	11860	0	6044	10852	102962	33180	0	29272	27540	78434	108414	91656	9508	12666	6008	0	11360	60953	0	4620	165504	Phytochemical	0.7	1.0	0.0
8	C20 H20 O14	485.0926	485.09344	0.15422581	485.09265	1654	3532	0	1918	7399	0	0	926	7807	1609	1191	804	15308	1358	748	2184	1473	6995	5026	0	1593	3302	1864	1127	0	0	934	0	0	0	0	0	0	0	1949	0	919	981	1196	0	2545	2822	0	0	0	1647	4525	0	0	0	2201	2175	2480	0	4796	8983	3230	0	0	1322	0	0	17162	9440	3058	10028	1957	1683	0	0	0	0	0	0	0	0	0	918	3755	0	2228	683	0	0	12962	0	3465	3606	2601	1165	0	0	1820	7838	3173	0	1745	3482	8020	16483	20394	1185	795	0	0	0	6160	0	0	12066	Phytochemical	0.7	1.0	0.0
10	C20 H20 O14	485.0926	485.0934	0.20798574	485.09268	10102	7406	4821	5188	19995	7999	1604	1409	21236	4204	6900	3793	34911	3954	2676	1710	3288	16522	16298	3016	7007	15049	5636	1850	0	0	3143	0	0	1729	1593	1148	2827	1182	5360	1147	1850	3604	2890	0	6614	7324	0	0	0	4298	15096	0	1921	1983	7139	7874	8929	0	18959	22298	7329	1737	0	2942	0	2840	37010	20486	9636	24878	6460	2169	0	0	0	1406	1155	0	1979	912	0	2476	9819	4901	7319	6635	770	0	25097	5032	7432	7824	6857	4276	0	2177	2327	16993	7643	0	8074	4621	24212	36804	26898	3406	3366	0	0	3458	15220	0	1054	42389	Phytochemical	0.7	1.0	0.0
14	C20 H20 O14	485.0926	485.09338	0.16178808	485.09265	24676	18587	18285	17948	34685	27512	2153	2376	55363	11116	12532	9924	83997	12817	10857	2452	0	40292	42371	7614	13749	32498	17081	4808	1988	0	1876	0	1451	1189	3336	0	7962	2070	14640	1470	7565	8863	4750	4942	21709	11836	0	0	0	19733	52114	0	1522	4373	19367	17676	21465	0	54972	41394	19797	5234	0	6213	0	15404	89832	56180	14615	45929	18927	1925	0	1982	4539	3444	3204	0	3852	1293	0	5771	14667	21792	13620	25228	1471	1190	36586	14548	5565	12966	15262	0	0	7228	5660	43806	14330	0	18320	13781	33914	54491	39912	7484	9212	2634	40662	5316	31147	0	2032	75235	Phytochemical	0.7	1.0	0.0
20	C15 H25 O14 S1 Na1	485.09354	485.09344	0.10968993	485.0936	20895	14577	22920	11469	24798	19866	6315	0	33576	13379	17250	4614	49809	9954	4851	0	0	33088	23273	5839	8117	36925	4566	0	0	6631	3726	11109	0	0	0	0	0	0	53331	0	5199	3189	0	22603	26133	12021	0	0	0	27300	79788	0	0	0	14076	26859	14739	0	37386	22815	9180	5052	4848	5310	4284	17643	42579	28143	12291	20499	6117	0	7791	20634	44995	5364	3318	0	0	0	0	7620	6789	29402	4731	47916	0	0	26976	8916	5838	8025	10173	0	11325	12057	7512	15393	16898	0	26689	7950	29952	19329	18387	0	6909	8128	57036	5499	16419	0	0	59400	Organosulfur	0.93333334	1.6666666	0.0
22	C15 H25 O14 S1 Na1	485.09354	485.09464	0.0791537	485.0936	0	3642	0	2194	3373	3764	0	0	7091	13153	4908	0	7453	0	0	0	0	0	2447	5206	7553	9493	1303	0	1262	8176	0	4149	0	0	0	0	0	0	21845	0	0	0	0	7814	6440	1070	0	0	0	8815	15781	0	0	0	3171	2724	3321	0	5569	3433	1599	0	2102	0	0	8735	4898	3009	0	2406	2095	0	13275	10424	14753	0	0	0	0	0	0	1504	0	7315	0	6414	0	3525	6063	1688	0	1950	2788	0	2592	0	1808	24242	18776	0	3172	0	3254	5105	1541	0	0	0	9616	0	3201	0	0	6302	Organosulfur	0.93333334	1.6666666	0.0
28	C24 H20 O11	485.10785	485.1084	0.002448155	485.10785	5905	5721	5976	6283	12896	5257	1266	0	12004	22321	5824	983	20907	6975	0	2675	0	14895	15429	7060	11929	14889	3426	2360	0	6945	1150	2785	0	0	0	903	2275	0	24653	0	2624	2325	0	4620	3786	2419	0	0	0	6746	8408	0	0	0	7101	7061	7070	0	16042	11285	4159	1169	1439	1404	0	4644	17386	11803	3565	14750	4888	0	8843	11847	13923	0	0	0	0	0	0	0	9909	7632	6069	5344	908	4138	14554	7952	6192	3147	3389	2372	2556	3757	4894	12336	21189	0	7481	5173	8150	13003	14278	2475	0	0	3572	1828	9804	0	993	20270	Phytochemical	0.45833334	0.8333333	0.0
22	C24 H20 O11	485.10785	485.10846	0.02144675	485.10785	28044	23948	22753	23919	34653	23403	6099	2417	48920	102298	31173	5450	50319	15025	10507	4414	2754	59492	36997	44625	45320	67707	14859	12482	6928	27817	4076	20002	3991	1025	2468	0	6729	1361	105388	1870	6158	8540	4418	30471	21618	7737	0	0	0	43371	49873	0	3082	3619	25943	22788	24945	313	50036	41053	17056	5329	4524	2841	6973	19455	80638	41767	16073	45745	11651	1914	34002	55180	42643	1837	1720	1079	2033	3369	0	4999	29435	36299	16048	36752	4932	17412	53081	30528	23185	9991	16173	5210	7943	12729	9208	57222	80626	0	25019	25867	41271	45014	45812	7954	3961	5947	28101	5490	29154	0	10188	72420	Phytochemical	0.45833334	0.8333333	0.0
26	C24 H20 O11	485.10785	485.10846	-0.016929176	485.10782	8039	9800	8466	7262	15038	8499	0	0	19126	32833	6259	0	24802	7385	0	0	0	25576	21296	13031	13349	25692	5727	0	0	10487	2019	4111	0	0	0	0	0	0	37635	0	2701	3611	0	8257	6231	0	0	0	0	10334	15460	0	0	0	9874	10507	9021	0	24360	15359	4972	0	2378	0	0	5121	35974	17521	4716	19963	4292	0	10363	22161	15021	0	0	0	0	0	0	0	12598	16203	8909	8622	2974	4405	22621	7366	5479	0	5253	1792	4424	2721	0	21781	34303	0	8763	11250	11432	22317	17101	0	0	0	10202	1448	12334	0	0	33146	Phytochemical	0.45833334	0.8333333	0.0
14	C24 H20 O11	485.10785	485.10855	0.046269562	485.10785	17327	22670	19935	17803	26972	11268	3774	4748	23437	86192	43680	4678	25701	10600	6215	6472	0	24138	21620	36282	42143	42497	9690	6372	5858	30242	6992	17098	0	2460	3664	0	6316	1794	103303	1490	4548	8745	0	26830	41123	7114	0	0	0	36633	50712	0	7523	4894	25232	18714	13166	0	26016	20730	12186	11321	6256	11594	0	16852	40650	24450	9557	24947	13207	4257	39864	40568	57790	3379	1819	2686	2938	3945	0	1982	21016	20367	18234	34693	3932	13656	36253	14282	19949	7480	8677	12705	11308	8224	9266	46884	58859	0	19040	17034	23990	32374	24842	5703	3952	10254	29518	5418	20493	0	5847	26895	Phytochemical	0.45833334	0.8333333	0.0
18	C24 H20 O11	485.10785	485.1085	0.007224913	485.10785	54574	56111	38368	48870	68102	34801	8201	9264	70930	178860	87971	8571	88298	39010	13282	13232	4583	75862	75790	107744	91828	97949	24061	17686	16268	54912	13228	51970	6922	3419	8075	4837	15172	7613	216790	3882	12729	21914	4862	60346	59618	14704	1490	0	0	79673	81024	461	10986	4583	37912	46417	35610	0	71391	52544	27080	13836	15500	9197	17347	43559	128374	58412	26505	77691	26987	6759	64711	86368	94803	10730	5200	0	3948	0	0	8641	39952	70342	37794	77025	11510	44733	77314	35001	39793	21467	27042	12775	21941	31999	22226	98268	126487	0	51988	44293	62917	72584	64860	11080	8823	13841	63085	14293	47569	0	16601	93721	Phytochemical	0.45833334	0.8333333	0.0
24	C24 H20 O11	485.10785	485.10843	0.08297197	485.10788	13104	15515	12105	13827	20500	11706	2242	0	26684	47321	12330	2990	44531	9757	4353	3286	0	33652	29696	27919	32381	38107	6866	4098	4003	14262	2279	8910	1606	2129	2026	1071	2866	1433	62430	0	4079	4817	2765	12165	9887	4976	0	0	0	20067	22372	0	2385	0	13812	11431	13283	0	34275	21080	8887	3378	3482	3117	2347	10846	46706	25756	7589	29151	7454	2856	14741	28893	29141	1519	0	1407	0	0	0	1074	19911	19851	12227	16475	2808	6980	34261	14184	13006	5757	9666	2667	4688	6440	4270	42331	65796	0	14433	11637	22172	28471	29051	4816	1138	2501	15717	2628	17534	0	4163	45664	Phytochemical	0.45833334	0.8333333	0.0
16	C21 H24 O13	485.12897	485.1297	0.07036794	485.129	83375	81601	76372	87725	80284	82058	32802	57243	125660	136391	57377	40191	164719	35471	74773	49128	26145	162865	129539	119960	120358	170281	69178	50215	31947	15358	26729	26081	63829	34565	56124	51686	62111	55165	179251	41027	86352	55611	37047	105115	68331	43026	1360	0	0	193839	220041	0	53609	51171	82864	77974	80062	283	152803	71315	43685	53302	79863	27711	55990	97053	167011	112234	40458	97815	70905	27019	37945	46766	46038	57221	48025	53663	27094	49086	0	54442	60953	75638	49416	181913	42130	38047	77196	51180	44836	34335	54307	0	29172	75833	66485	124759	96785	0	77471	85721	80469	56947	49681	61632	49402	41045	171458	54085	69086	0	35019	181448	Phytochemical	0.61904764	1.1428572	0.0
22	C21 H24 O13	485.12897	485.12976	0.3365605	485.12912	7588	4992	7007	9635	7631	5379	2893	7882	6133	0	0	2039	10122	0	4958	3828	0	9451	7950	12787	13578	14040	3003	4112	2330	0	3108	3082	7677	2257	2584	0	6033	0	14262	2407	5434	3983	2419	11515	7438	3113	0	0	0	38073	39467	0	5755	3038	8526	6648	6692	0	11755	2826	4802	3668	6620	3955	3117	11846	10016	11650	4286	9202	4088	2549	0	4193	6821	4210	5512	3349	2330	2962	0	3190	5533	8806	4728	30367	2457	0	6632	2204	4525	3615	4100	3080	0	9849	3502	0	8827	0	4763	5952	6948	4939	3928	2980	3583	7315	34052	4520	5758	0	3952	10254	Phytochemical	0.61904764	1.1428572	0.0
12	C20 H24 O12 N2	485.1402	485.141	0.12316002	485.14026	35461	28462	30132	27168	18106	15733	20981	34528	30627	25685	11616	27228	37518	6407	28107	19791	30468	31540	42037	35222	42542	51580	33567	28534	11548	0	10628	0	26205	21120	25928	26393	40831	22794	37082	24631	36574	24586	33390	29631	41915	23273	398	0	0	45169	65813	0	23472	28617	31023	27347	19252	0	44862	16119	12167	27611	34307	29090	38739	32334	55758	34508	13705	27199	24007	33599	0	6152	7674	27512	26590	22147	20318	21195	0	26000	23431	0	20329	29301	13916	9387	20253	12645	17522	16697	21567	38396	11730	28088	50292	31759	23430	0	33235	36361	18077	14497	16748	29056	30490	24876	39372	33914	15230	0	10829	52010	Phytochemical	0.6	1.2	0.1
8	C20 H24 O12 N2	485.1402	485.14105	0.08182582	485.14023	19459	19723	12260	22837	14065	6853	8412	16973	16476	14241	9746	15687	21759	2484	8702	16673	19292	16866	18619	14637	22981	31573	15922	17610	4165	1008	6872	0	9339	15393	12575	13528	21249	11374	21035	12884	17075	8215	26538	13665	28415	12897	0	0	0	16739	37676	0	15744	12731	14232	15320	10521	0	21996	11456	9477	13927	12639	20094	12494	12699	31493	23204	9610	16238	11653	23497	0	2281	3875	10918	13661	11727	12254	13034	0	10894	11674	8305	9402	10699	4197	3421	15903	7913	10297	13178	11718	23341	0	11725	27243	20370	12845	0	16998	16294	10167	13887	13744	19974	12867	22716	13296	19641	12394	0	7460	25242	Phytochemical	0.6	1.2	0.1
10	C20 H24 O12 N2	485.1402	485.14102	0.1177856	485.14026	27905	31382	24798	24575	20436	15536	17556	34610	23690	27746	16741	27338	38310	5097	20237	31914	30350	26318	34602	32760	38191	52163	26604	27237	7971	0	17193	3733	18993	23028	22816	22250	35885	18404	33152	23382	32556	19637	30178	26044	40779	18846	0	0	0	30600	57352	0	24517	22534	29919	31108	19904	0	41349	16554	14672	27671	20047	26597	31978	27554	37652	31134	17091	22433	21831	32906	0	5465	5845	22975	25301	22859	23273	20559	0	20561	23633	17599	18934	26956	11759	5872	23448	15495	18858	16926	17338	31259	4937	17894	43232	32194	28332	0	28102	32714	14236	18152	17666	32745	23653	23496	36797	23213	16298	0	10979	41273	Phytochemical	0.6	1.2	0.1
22	C25 H24 O10	485.14423	485.14484	0.021981329	485.14423	63336	61305	56498	60145	82733	49069	12422	18159	88025	205471	113791	15814	104292	42862	27155	23733	12962	92807	75193	137646	143666	83910	30196	25786	21163	160339	16235	85494	13897	10268	16339	14623	22001	13684	245254	10486	26061	24349	15553	93285	67264	23139	0	0	421	92739	93542	0	12928	13231	59017	57341	50297	0	83048	73410	38569	24911	19603	11470	24796	67372	119260	69429	27871	76475	36075	12250	134816	217749	188241	16718	11906	6135	5258	13207	0	15465	50739	53514	45930	73235	20032	63857	101401	48886	41443	26285	27726	17690	29830	37390	29926	82639	107711	0	59338	54588	70416	83501	72293	22279	15440	25055	67726	18306	61366	0	22477	108761	Phytochemical	0.4	0.96	0.0
12	C25 H24 O10	485.14423	485.14496	0.0528306	485.14426	8483	14209	15720	13294	9065	3968	6434	8475	10679	35962	15540	6056	6493	3219	3731	7516	6454	6082	10244	29367	22783	17097	6832	7833	5008	25446	7083	10536	6676	8190	7613	6603	7524	6958	39433	5582	8020	7194	11903	11566	24709	5944	0	0	0	19784	26994	0	6683	7642	12506	14950	5818	0	9086	6937	3485	7443	7082	10150	0	10322	7462	5948	4680	8279	4348	9115	31250	34012	39009	6319	6403	5189	7242	7116	0	4826	12273	0	9786	15920	7815	15477	8939	5624	10512	5343	3714	12310	10576	6687	6358	15857	18769	0	19216	12335	11548	8918	8578	8845	5336	7285	0	8689	6732	0	8051	8862	Phytochemical	0.4	0.96	0.0
26	C25 H24 O10	485.14423	485.14487	-0.006517816	485.14423	14063	16221	12029	16565	25059	10891	1908	0	24707	51353	19986	4017	38561	12696	0	0	0	31822	21073	31403	37713	27066	7346	9507	0	31052	0	16382	0	0	2956	0	3944	0	58567	0	4150	5900	0	20854	17532	0	0	0	0	12596	25809	0	2983	0	13203	12406	14420	0	29719	24222	6188	0	3767	0	0	10179	36817	22403	8342	29139	6846	2099	40653	55171	57495	0	0	0	0	0	0	0	13719	11001	14780	11935	0	12114	36907	18722	13116	7699	5534	0	5279	6846	8223	27427	40977	0	14488	20057	18513	26592	25456	5532	3640	6403	9081	4108	21616	0	7234	35217	Phytochemical	0.4	0.96	0.0
24	C25 H24 O10	485.14423	485.1448	-0.011207986	485.14423	29699	26602	28745	27371	41063	25333	5671	9012	46799	108783	44586	4259	71054	19469	12238	5952	4018	39214	42316	56811	65935	47082	17375	12157	7331	70679	5824	32347	3729	4397	5874	4423	8506	3606	112344	2161	8311	8812	6078	44143	40037	8074	0	0	0	45920	39217	0	5747	2480	29763	28607	21344	0	51212	35593	11897	9082	7515	7100	6954	32764	67351	36610	12950	43515	15601	4136	66030	99687	107411	6316	3074	0	4513	4058	0	5988	31529	35271	23555	31766	5207	27550	59565	22999	22854	11329	12027	7927	13785	16031	12406	47579	58776	0	26889	25795	33046	41085	41244	5267	5053	7128	30187	8635	40067	0	8041	57635	Phytochemical	0.4	0.96	0.0
20	C25 H24 O10	485.14423	485.14484	0.022677824	485.14423	106167	97591	94874	86650	112618	67120	22857	30815	117668	338261	180858	28533	165688	57643	46424	40570	21208	117141	130277	229693	230052	139042	48621	47405	36493	246238	26599	140426	34754	17642	30221	24864	43557	31823	411584	18438	49278	37350	27417	161848	110106	33956	2335	0	0	153015	147332	521	36366	28595	97392	104803	70430	0	119502	109720	50168	39760	39631	23693	40686	105558	166544	94943	47146	112895	53813	27894	213657	319494	310238	28068	29951	20683	21549	27950	0	30972	84156	95434	63116	115702	34652	118476	118451	65131	67032	46058	51672	39224	61497	66883	57283	132161	153310	0	100247	101799	107681	107706	100586	35076	27119	47178	114953	42539	85812	0	40011	185376	Phytochemical	0.4	0.96	0.0
28	C25 H24 O10	485.14423	485.14478	0.039259806	485.14426	6625	6977	5833	6745	10910	5847	2228	0	12177	27985	9882	1736	24278	7764	4570	0	0	12081	15057	13542	16396	10936	7048	0	2622	18221	1529	6444	0	0	1697	0	2841	1358	26644	0	4182	3410	1161	8584	7541	2326	0	0	0	8460	9479	0	2053	0	7079	7100	6985	0	15418	12067	4256	2229	1950	0	1839	6393	19659	11103	3992	16865	2456	1720	23646	31021	34165	2051	0	0	0	1729	0	2152	9622	11123	7974	5551	2142	6571	18103	6921	7459	3982	3755	1860	5250	4914	4328	13905	18229	0	6936	4982	9145	13555	16827	2103	2195	3686	5451	2089	9778	0	2641	18167	Phytochemical	0.4	0.96	0.0
8	C24 H24 O9 N2	485.15546	485.1563	0.08353842	485.1555	4671	4939	3303	5574	3394	2830	1904	1870	3627	25078	8963	1326	7499	2082	1317	3727	2175	2535	5887	10213	18134	16697	3356	4368	1326	8388	2256	6780	2126	1214	1353	2585	2431	1793	22579	1011	5628	2194	2723	11070	15678	1759	0	0	0	8471	14940	0	2713	1620	5423	6765	2495	0	5106	4351	2051	3317	1631	2555	0	10825	7644	4805	0	6550	2106	2793	13632	16025	22956	2990	1566	1076	2029	0	0	1714	3849	7067	1923	5682	1367	8105	5107	0	5032	1583	2749	6432	0	0	5772	12105	18119	0	6640	4092	4298	5941	4308	2535	1693	3475	7685	2018	3246	0	2017	6220	Phytochemical	0.375	1.0	0.083333336
24	C22 H28 O12	485.16534	485.1661	0.35208917	485.16553	7045	15801	8412	7516	3117	8176	0	4015	6944	28238	20454	2024	11993	1394	5024	4203	0	9101	10146	43770	32259	20255	5021	4919	5363	48926	0	35394	2877	4016	6628	3385	5362	4569	28012	3306	5946	2726	1207	26868	25791	2774	0	0	0	21422	19013	0	3477	4895	12668	11571	5197	0	5148	4950	2030	4373	7102	3105	4793	20953	4762	7973	2406	5941	6515	2545	38647	37974	45604	3922	4300	5460	2426	3647	0	5005	3166	15325	3333	25335	6915	20668	5767	0	4417	1330	3690	2408	14778	16240	6978	22589	27483	0	11106	14355	6650	3665	3385	2854	3335	4186	15398	0	4209	0	6373	10309	Phytochemical	0.54545456	1.2727273	0.0
14	C22 H28 O12	485.16534	485.16608	0.052231237	485.16537	274932	137299	263624	257336	75249	70344	97683	154502	106313	553216	132641	181340	124326	37755	124232	115815	75562	118422	123474	464170	399418	223574	235652	130697	179100	56916	157954	112678	252628	248378	221580	150112	295192	103272	721884	129697	127333	198368	77886	339160	117121	73341	0	376	0	443130	195881	0	263590	256128	141641	126976	68765	0	266118	63778	113822	256916	183917	74898	156335	245104	253856	213836	50359	100723	83248	76067	69180	113175	89913	261818	127061	281054	72651	236056	0	210778	111012	93241	191412	302276	194210	184252	85922	69989	83594	67845	74399	84910	87825	107663	121173	131556	279150	646	265610	145881	80676	66083	53216	133915	178182	172707	243711	223216	70926	0	76715	242488	Phytochemical	0.54545456	1.2727273	0.0
16	C22 H28 O12	485.16534	485.16605	0.044335745	485.16537	174695	175615	177044	172672	104741	109351	102372	191600	180140	368476	132338	90634	204973	51307	175869	130766	69134	222428	213531	337916	263140	270475	161231	164039	135224	66323	81740	106857	176163	155658	380438	185449	175410	120469	495838	186553	200524	271726	83743	474020	112494	95313	3312	473	365	616984	179893	0	185215	153300	173728	178389	127674	394	253546	98817	69371	157237	432180	70330	178938	171771	212379	169467	70660	137699	118020	74048	61912	171735	91782	188184	168966	183840	84403	166766	0	136937	134275	104603	117139	206802	119443	123086	97562	81568	93119	74426	97431	76918	127533	199654	246598	137486	195098	848	188139	181092	112459	90570	80535	164191	109823	173819	204138	181303	99363	0	104848	203210	Phytochemical	0.54545456	1.2727273	0.0
8	C21 H28 O11 N2	485.17657	485.17743	0.036349796	485.1766	25749	26482	18983	23938	10883	12816	12095	26173	15703	21477	14298	15796	24567	4168	20975	23327	21842	22280	22563	27336	27655	41598	19315	30137	12028	1341	14390	6397	21238	20126	22263	26959	30681	23034	37335	20679	28961	15437	23411	29689	26812	14458	0	0	0	28278	28304	0	29016	26275	23106	23604	11474	0	26872	9920	9970	27350	24708	21174	32644	16304	26183	18046	8357	16763	14660	24487	3570	4957	6830	23031	23336	19235	14001	24523	0	16966	19322	10271	14897	14162	13671	10354	13557	10101	20226	15487	16267	33806	17799	29265	37339	19997	19878	0	30443	21418	10117	11567	12824	27828	15998	30536	15684	24538	12464	0	14951	26279	Lipid	0.52380955	1.3333334	0.0952381
6	C21 H28 O11 N2	485.17657	485.17746	0.052803066	485.1766	14631	14704	12788	13729	7466	5694	5852	13472	9755	16289	4807	7423	16681	2198	9316	14520	10443	11939	13343	10512	15131	19402	11833	16877	4950	890	6465	2822	13706	10212	13278	12113	19029	11585	23636	10993	14431	7805	13568	11680	14703	6023	0	0	0	10360	17017	0	14731	10292	9758	13518	8382	0	14419	6963	4872	17658	12005	10934	17093	5244	16334	13057	3485	10738	11055	17039	1720	2353	3121	11725	13044	10666	5322	9499	0	8063	8370	0	7596	6685	5849	2934	9058	4768	9601	6868	10630	20750	10034	15274	24900	10820	11373	0	11961	11982	5148	8489	10992	15219	7280	13561	7363	19717	7458	0	6254	17658	Lipid	0.52380955	1.3333334	0.0952381
10	C21 H28 O11 N2	485.17657	485.1773	-0.024134042	485.17657	35145	42423	36097	33616	17114	17907	24165	43723	23158	50445	22447	24175	28414	8624	38459	37644	24933	30651	36322	42707	38133	58195	39345	52199	22367	2505	21862	7470	39131	44266	42487	43624	57416	37917	55265	43217	54172	31685	35100	53575	33369	22030	0	0	0	46466	40375	0	43534	32945	36209	36439	17807	0	44246	17282	17554	41252	78881	27495	50899	39777	29381	26077	13554	22779	20793	34075	8561	8557	10720	49956	38602	42427	22389	37290	0	30830	27566	21178	27367	22205	28729	12244	16851	15626	27654	21819	25207	33313	37038	53155	79678	31680	36469	0	37656	43406	11009	13066	14078	48917	26913	56897	134380	38832	14193	0	22683	39754	Lipid	0.52380955	1.3333334	0.0952381
26	C26 H28 O9	485.1806	485.18124	-0.015346795	485.1806	33523	31925	30200	30690	39088	23105	4332	19091	47030	79835	42427	10483	72487	28156	13391	13074	9090	40502	43899	71495	81810	35549	23202	21053	12707	105238	5632	35639	9745	7978	13869	7876	15524	9193	79357	12837	18599	15781	10621	52017	46692	10004	0	0	0	31466	40295	0	13212	9459	31447	27175	25862	0	44568	45165	16275	19641	14015	10461	15910	29910	62547	33452	12151	44556	22453	14368	112366	132360	154079	11050	9677	9039	8399	9940	0	9653	31407	22963	27509	23086	11046	36642	54655	26728	25071	17582	15631	9748	14715	14147	21143	30479	53169	0	26031	33987	32954	53846	57864	18495	10542	14955	21658	10030	26953	0	14841	55398	Phytochemical	0.34615386	1.0769231	0.0
20	C26 H28 O9	485.1806	485.1812	0.027636034	485.18063	220488	215266	206778	185002	195134	146363	88577	141893	224509	509820	342475	86573	248678	149474	126385	154576	95805	212685	260978	493148	473610	218190	132036	145012	112031	638592	71191	286370	115420	103152	108906	110560	136122	104685	610477	97543	154959	112440	88927	312637	270152	97945	5977	572	0	228899	217235	903	116915	116010	216023	210056	151400	867	198266	191094	113202	142419	119191	84490	132010	202994	251206	179117	97195	205822	119573	103097	480926	785340	771930	117428	110987	100275	81856	111522	380	87316	192043	149150	156696	161347	104210	305605	222712	123584	177262	101153	110449	136334	173021	178580	174738	177552	222860	1064	208839	216434	185313	195689	182223	125512	91220	148186	162662	127324	170649	934	119025	260959	Phytochemical	0.34615386	1.0769231	0.0
28	C26 H28 O9	485.1806	485.1812	-0.02113045	485.1806	12126	13803	11206	8984	18049	9193	4783	5314	20040	34725	16442	3942	32646	11834	8051	8031	3213	18100	21112	26393	27360	16210	7781	9877	3829	37985	3329	15224	3118	4668	6464	2585	5879	3259	38163	5727	7424	5969	4115	15521	16120	5400	0	0	0	11329	12768	0	5937	5690	16404	12606	10581	0	19620	19068	6655	7188	4451	4046	7647	9628	26773	14776	6131	21675	9434	4148	45469	55299	71053	3240	2560	2949	3157	4007	0	4037	12525	11895	9575	6801	3344	12600	21083	10882	16126	7699	5498	5429	10476	9799	9301	15373	18628	0	12274	13356	11494	22457	25221	5542	2500	5681	9337	6550	13735	0	3718	20264	Phytochemical	0.34615386	1.0769231	0.0
24	C26 H28 O9	485.1806	485.18118	0.007279493	485.1806	81209	78603	74730	81174	88518	52346	23114	39974	107058	208294	125713	28032	144701	56715	40289	38624	28713	105561	112716	169248	178276	79733	57346	48185	37890	231135	17870	110224	31846	28138	29940	29836	40589	31063	250575	30259	52240	32199	27517	115519	101797	28177	1889	0	0	97139	75464	0	33255	30757	81204	76331	63598	0	100213	91724	44460	43410	36493	24061	41547	77183	126140	85172	40113	109000	46589	29797	202809	298194	306981	36219	28846	19269	22974	27447	0	29406	79013	50790	63267	65937	34369	94546	113824	56902	68446	39779	45216	45974	49373	46498	59901	69128	87457	0	86652	78013	73255	95143	100865	36968	24672	46935	54170	46118	74404	0	36393	124951	Phytochemical	0.34615386	1.0769231	0.0
8	C22 H32 O10 N2	485.21298	485.2137	0.07680571	485.213	7440	9399	7466	11448	3514	5584	4327	14434	6159	8326	4657	6136	8254	2402	12282	13396	8589	7782	12238	10902	9363	21754	8842	18309	9679	1065	5488	3575	11153	10226	11098	12822	18150	12141	16546	14529	17509	7670	7135	10161	4955	5957	0	0	0	13822	6342	0	14384	12353	11912	12059	4975	0	10307	5482	3200	11420	10135	4976	9661	6227	8224	6582	0	8814	6039	7093	0	3294	0	15790	12850	7260	4687	9978	0	9311	6282	6040	5347	3425	7424	4668	4722	5126	8553	6076	5459	12950	23701	21324	23365	5660	7186	0	14990	10519	3343	3728	3488	12297	6278	14819	0	13004	2126	0	10608	11258	Lipid	0.45454547	1.4545455	0.09090909
16	C22 H32 O10 N2	485.21298	485.21378	0.098386265	485.213	13388	15712	17641	12138	0	7371	17051	22356	13154	10830	4207	8858	9268	6247	22464	18125	5445	12648	18182	13666	6776	20828	15091	22935	26643	4296	7985	5578	22818	17467	18772	22492	20376	16523	13169	24096	23382	9847	10517	15149	2119	8338	350	0	0	10697	3193	0	22503	13562	16392	13904	10147	0	15460	7049	6568	20777	26597	3738	21117	9807	5679	10239	3998	3389	6581	9220	0	4579	1779	18369	17954	23755	4618	16987	0	14075	13194	6712	8663	6687	16385	7045	4883	6726	13046	7474	10587	0	19830	30054	49957	5276	9084	0	10932	13699	3946	5768	3811	21761	11701	18860	4185	21812	6949	0	13507	7919	Lipid	0.45454547	1.4545455	0.09090909
10	C22 H32 O10 N2	485.21298	485.21378	0.058639668	485.213	14472	12827	11502	10741	4406	5325	9179	18521	6979	13389	5188	5883	4621	3251	13741	14709	9967	8978	9065	14558	9345	18881	9238	18201	12853	0	8640	0	16814	12721	17582	17161	17577	13236	18954	14956	19856	9629	7329	13036	6206	4972	0	0	0	10712	5812	0	12729	11504	14158	10719	6888	0	9645	4855	4398	16602	14158	5507	15661	4523	5699	10165	2487	5887	6763	7137	0	3879	2570	15692	14981	11754	7945	14606	0	8898	10343	0	6396	6539	9184	5910	3282	3878	9263	5862	7887	14676	0	22681	26350	6481	7361	0	7989	17405	0	4257	6130	14949	7766	18362	0	15901	3707	0	8266	9292	Lipid	0.45454547	1.4545455	0.09090909
28	C27 H32 O8	485.21698	485.21762	-0.020897625	485.21698	21685	20980	21867	41886	30101	12619	8668	13640	25849	40074	29813	15192	88024	18832	14126	17454	23254	23605	31147	34677	40556	21237	32260	18087	25730	71467	7707	30082	13947	14252	25782	13622	14583	11580	88148	14728	32332	17544	12524	24261	32633	24744	0	0	0	15818	17650	0	14355	16630	20981	39496	17933	0	30345	57166	20370	29552	21556	15114	18205	32096	30331	17479	8463	63142	18109	14277	71479	79532	115136	21030	8649	22110	16212	21220	0	18060	25151	27578	16101	11797	23380	20077	33282	29736	25351	13220	10255	15461	13302	18560	20972	15013	21443	0	43434	21993	18248	35868	37664	16154	7121	33810	12042	15604	22040	0	11184	28578	Phytochemical	0.2962963	1.1851852	0.0
16	C27 H32 O8	485.21698	485.21765	-0.045917958	485.21698	83235	87680	78456	79771	54760	32413	68432	79446	60001	87509	63705	64769	50424	33747	68392	87518	86119	47581	57024	106988	106830	73430	66802	93755	53462	132693	68442	54181	63541	71415	60543	75463	74201	47029	96410	76354	68631	62229	109765	64517	102237	42942	1138	0	0	62501	73346	0	83113	77546	81084	78700	56454	0	64401	52940	42512	83157	61133	67223	84535	48930	78024	56524	33650	60077	47067	95316	111466	136286	190059	51055	58028	71046	83847	79379	0	54639	106195	49950	85622	48311	68806	65463	75027	46477	100754	39486	47574	137200	60888	64409	136289	47124	62493	510	73731	77349	56056	73702	74282	75429	46883	76438	39206	67683	59373	0	85771	56641	Phytochemical	0.2962963	1.1851852	0.0
20	C27 H32 O8	485.21698	485.21762	0.005885003	485.217	332958	365321	338359	314064	345030	183874	187664	285328	301354	523538	380165	186409	316980	213315	250937	316872	222519	276354	378338	601815	635217	303873	251862	319216	217644	956323	181089	369113	244498	231923	228694	249806	306220	226077	582419	238700	307882	225577	250359	423333	430862	188918	8422	0	394	266942	272931	1390	259855	249631	325887	330653	253624	959	322188	297638	192492	314523	229668	222471	303948	261471	361666	276371	161244	283788	210158	264632	747647	1064201	1179899	221059	230938	222029	242967	238498	379	199616	388552	214787	284879	177745	242999	370541	351715	193886	346139	180507	214349	312200	307602	303298	371270	213625	272139	1563	319320	358220	271799	337482	321804	296444	193189	318921	187559	263564	279113	934	237947	340773	Phytochemical	0.2962963	1.1851852	0.0
26	C27 H32 O8	485.21698	485.21762	-0.003015896	485.21698	74942	77728	72927	76579	90502	53230	24472	62545	95933	126607	102570	31464	131277	58815	55664	65847	37351	99598	120120	176381	167761	76719	66065	72729	47753	237203	23661	105923	54168	46756	48496	42609	55217	48550	176425	48989	71822	43003	45119	106244	102276	49079	0	0	0	78197	71609	0	52201	49550	84465	79722	61171	0	107574	102842	45973	66219	49397	25946	68285	70137	109127	82434	32296	102035	61147	40616	248490	297230	320183	48329	40729	36924	33161	45441	0	37597	81990	48044	62365	47449	47433	81059	123286	54466	81205	45649	49512	51665	47486	61173	89763	59498	78875	0	75154	93371	65761	107728	121559	61805	33861	69155	43826	47915	80014	0	46022	101801	Phytochemical	0.2962963	1.1851852	0.0
24	C27 H32 O8	485.21698	485.21756	0.012198643	485.217	236765	238207	221800	218696	240084	154014	84610	154631	243536	461871	337528	96391	300880	151132	143637	176485	102547	236368	302209	516982	465328	217426	170119	199103	140464	681869	80236	323142	133563	131356	126675	145383	177671	132466	571513	142506	206892	118778	119913	332261	271002	109736	5133	0	0	220630	183983	0	158100	126774	223144	230047	174514	0	259028	203672	104855	177431	148119	93497	177225	223246	288598	204600	99288	235329	143445	112165	607955	869837	882053	146996	122854	119328	86262	128251	0	120029	239425	131821	175013	142047	115654	219476	265022	145769	204160	117499	134470	142160	180514	203645	245321	165380	224187	0	223409	229084	181821	225461	239528	167592	97654	185922	141067	156168	188309	0	129534	278464	Phytochemical	0.2962963	1.1851852	0.0
6	C21 H32 O9 N4	485.2242	485.225	0.11741443	485.22427	3563	3153	1586	3001	972	898	2155	3103	933	1743	0	1817	2056	462	3082	3792	1484	2198	1946	1219	0	2868	1711	5537	3254	0	0	3934	4376	2100	2738	4677	4197	2437	2295	2287	3737	1955	2024	0	0	2201	0	0	0	0	0	0	3909	1371	3070	4308	819	0	2426	427	734	3791	1412	0	3620	0	1495	1054	851	1983	1802	1398	0	0	0	2185	1891	2290	1023	2547	0	2412	964	4204	859	616	1189	0	0	0	2082	1231	1438	3260	74899	34432	9235	2679	0	0	2622	2324	694	543	0	3103	2199	2115	0	4436	0	0	2638	1635	Peptide	0.42857143	1.5238096	0.1904762
8	C21 H32 O9 N4	485.2242	485.225	0.25531015	485.22433	3068	2619	2005	0	828	988	1353	1630	1000	0	1532	1562	1262	0	3096	1955	0	1077	0	0	0	2246	2771	4750	3610	0	1969	3190	3060	1856	2611	4656	3200	3209	0	1936	2566	1597	1083	0	712	1350	0	0	0	0	0	0	3116	1715	1538	2451	1151	0	1046	0	0	4194	1486	0	0	0	1273	662	0	1330	0	1561	0	0	0	2364	2168	2076	0	1641	0	1417	907	6676	952	604	1522	0	0	0	1568	653	1741	2546	43253	20414	7653	0	0	0	0	1884	0	0	0	2091	773	0	0	4421	0	0	1705	830	Peptide	0.42857143	1.5238096	0.1904762
4	C21 H32 O9 N4	485.2242	485.2252	0.16173178	485.22427	1790	2512	1759	1688	699	1162	471	1754	0	0	0	880	801	0	1631	1747	1154	972	1581	0	776	1454	849	1401	1024	0	0	4906	2005	1381	2915	1547	2452	879	0	2117	1749	1303	2064	0	0	0	0	0	0	0	0	0	1975	1334	1159	0	700	0	1020	0	0	2324	0	0	1729	0	747	672	0	1509	880	1655	0	0	0	1131	1921	1747	0	1734	0	783	1002	8122	940	0	296	0	0	0	1456	1481	709	2980	50659	26162	3354	0	0	0	1853	1782	0	0	0	2443	1680	0	0	2115	432	0	986	1428	Peptide	0.42857143	1.5238096	0.1904762
14	C24 H36 O10	485.23813	485.2389	0.13301568	485.2382	7230	6911	3719	11887	2274	2785	13213	14913	4728	4066	2040	5301	3023	0	9693	10427	18260	2462	1679	6017	4778	9221	6644	14926	10012	0	11676	0	15176	17833	16246	16424	10725	11764	3808	16404	13355	5864	15985	5269	0	7265	0	0	0	3991	0	0	15405	13039	10579	8088	2335	0	5149	3801	2982	8993	8607	7882	0	1440	1714	3784	4262	2088	6125	10966	0	4069	3948	9585	13482	19961	15758	12678	0	6527	13124	0	4446	3867	7313	2529	4548	4266	10938	3096	5794	7396	37687	9544	9674	2596	2397	0	7234	12295	3558	2782	4490	12352	6485	7536	0	11475	4207	0	8365	2720	Lipid	0.41666666	1.5	0.0
10	C25 H32 O6 N4	485.23947	485.23984	-0.26701802	485.23932	0	1348	2094	0	0	0	1426	2253	0	1410	0	0	0	0	1400	0	2281	0	0	1769	0	1697	0	3729	3005	1473	1903	0	1375	3725	2446	3392	0	2562	1311	2092	3401	1813	3048	1939	0	1227	0	0	0	0	0	0	4959	2733	0	3558	0	0	0	0	762	2506	0	0	0	1141	0	0	0	0	1583	3504	0	0	1656	1511	2116	4590	0	1617	0	1684	2273	27876	1155	631	0	0	0	0	1649	1066	1094	2258	31390	7362	5428	1287	1594	0	1752	0	0	0	0	2641	2048	2661	0	3278	946	0	2628	0	Peptide	0.24	1.28	0.16
24	C28 H36 O7	485.2534	485.25397	0.016198931	485.2534	476189	473234	441568	474403	602832	295206	241906	365609	482743	614509	634805	222273	529044	294622	326272	439805	296883	456688	643428	817675	820384	389283	354769	422943	298263	1352027	232556	579474	341125	348480	305715	350261	438707	306472	794437	346767	487503	283044	329247	555492	500965	251083	9796	0	0	362215	308625	0	375008	328818	442832	467499	425586	0	597569	472821	255884	437736	324826	229074	427644	352547	548821	459967	217078	464448	310290	347133	1142770	1421949	1565493	310276	297533	295230	249064	320012	0	263916	477677	282426	379748	245985	282635	416350	648643	325472	476806	250117	312637	334991	405879	427874	491733	310862	427565	0	450411	455426	385171	574137	591286	453423	224678	457836	230293	360388	481706	0	313872	511203	Phytochemical	0.25	1.2857143	0.0
16	C28 H36 O7	485.2534	485.25403	-0.06971595	485.25336	21663	22777	16444	19445	16588	10924	30128	21793	22417	8142	12240	17703	20230	9119	23403	23167	43278	6903	22550	16275	15308	14038	26119	23548	13411	22299	29475	8910	16112	24931	19496	22220	24856	16309	15749	19499	19546	23808	47039	9776	20125	12323	305	0	0	10489	13765	0	21884	24409	20850	22155	18036	0	20819	21784	14346	33236	13835	20464	23839	5618	18590	20918	12070	12023	11575	43924	23391	24435	27462	13155	13387	22019	37939	21924	0	15598	41917	15074	32474	12607	19608	10012	32849	16022	40282	8343	12381	50555	22066	19482	0	12357	10037	0	22682	20372	14247	37200	35735	23759	13778	18621	13945	25778	24625	0	27842	14195	Phytochemical	0.25	1.2857143	0.0
26	C28 H36 O7	485.2534	485.254	7.82954E-4	485.2534	208231	207685	210551	212203	265596	127865	118869	204340	254498	261124	295063	103548	287201	148424	167638	193557	133684	217231	306319	397030	387757	190392	167501	211027	173208	655615	109422	304788	178955	181260	155786	178021	216729	141784	364906	194681	229848	134888	138944	257695	226300	133818	6425	0	0	190997	153131	0	183033	163246	211235	207486	188758	0	305283	275301	128847	192318	163967	99427	200220	170291	238739	201531	91521	207620	165729	147822	582174	639241	647365	144399	138638	163301	111902	154695	0	126939	220934	156260	166765	125463	143241	210452	301200	176388	209181	125208	139493	137784	182424	183630	243195	159724	185181	0	204392	241499	168412	322405	312216	246077	96196	223463	127647	153550	229244	0	138037	218508	Phytochemical	0.25	1.2857143	0.0
22	C28 H36 O7	485.2534	485.254	-0.013106041	485.2534	423085	455870	378624	426658	536552	278092	266859	376467	459554	481273	481078	263999	365281	266323	336319	406035	368051	388079	478965	648239	664346	370307	334143	383959	315060	1101053	246290	470701	334076	327642	310451	341922	428819	282363	560725	346875	405249	306246	385770	420258	472843	253484	8594	0	570	292573	314000	0	339535	327189	429206	414072	409377	1203	504932	440412	270939	418675	277925	272803	400613	281386	457712	405270	221972	387546	285993	416122	870369	1100195	1355374	254081	265596	285024	311014	327171	274	259917	525047	262783	403195	218322	289055	322088	585701	327660	504188	264093	273977	396519	380310	401685	430551	272958	366964	0	369762	419599	384173	569489	508677	453136	257082	406837	211110	322018	467987	0	332044	469624	Phytochemical	0.25	1.2857143	0.0
18	C21 H40 O12	485.25925	485.2597	0.054072585	485.25928	184040	152190	163993	173882	125563	105471	161630	228333	122721	143901	117368	137770	153315	79860	187075	255713	205650	132630	205411	199520	183187	125251	174137	229351	172961	195212	142893	126830	220881	207123	188651	189863	226551	165906	156836	269630	209031	151911	223210	124114	117688	127933	5001	2798	1881	134622	116012	2226	210502	177106	184699	190614	118652	1705	187968	139406	98689	216481	183123	118740	229751	85205	171588	132609	90217	120798	130084	215516	143606	193872	202834	155582	159873	197191	196067	234980	2299	118469	221915	105857	176981	90896	143458	99167	189840	136902	205022	91318	118916	199285	192827	209898	266571	81361	96978	2708	167726	163471	102551	172148	180807	228354	126680	204179	73059	142250	134909	3352	145507	127349	Lipid	0.5714286	1.9047619	0.0
6	C22 H36 O8 N4	485.2606	485.26114	0.2956848	485.26074	0	0	539	909	0	0	0	754	0	0	0	0	0	1775	0	0	0	0	1006	0	0	0	0	1429	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	848	0	0	0	0	0	0	1296	0	0	1222	0	1291	0	0	0	0	0	0	0	0	726	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1034	25129	7054	1418	0	0	0	0	1044	0	0	0	0	0	0	0	2069	0	0	521	0	Peptide	0.36363637	1.6363636	0.18181819
8	C22 H36 O8 N4	485.2606	485.26138	0.046561617	485.26062	0	0	0	0	0	0	0	913	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	726	0	644	0	783	1006	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4166	0	0	0	0	0	0	0	0	0	0	34107	9880	1359	0	0	0	987	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.6363636	0.18181819
20	C29 H40 O6	485.28976	485.29034	-0.05367209	485.28973	58960	48086	56994	51615	63026	28912	66236	43609	48589	23623	30034	39323	37940	41118	47627	79286	123053	29849	60516	26558	24515	42601	41827	43847	44831	44692	75648	31678	41783	49873	43701	54495	59812	25704	21077	54944	47913	45360	135421	18378	30346	31951	405	0	0	20384	35348	0	55061	45623	52614	60998	53294	0	63669	75447	43909	66025	25980	53105	44189	14656	43553	41626	46284	32553	44227	137339	30217	35521	55890	23234	27709	44606	106698	56168	0	38096	86016	44801	52117	24553	43626	27902	114758	62718	99141	29969	39099	132149	45319	47453	64246	27560	22102	0	55104	46059	54897	109631	115612	64505	39797	47337	11131	55850	76581	0	58190	40190	Lipid	0.20689656	1.3793104	0.0
18	C29 H40 O6	485.28976	485.29037	-0.0956217	485.28973	7609	8890	9076	7507	12482	3576	14664	6488	9150	0	3772	10552	3594	5939	10510	17682	32107	3352	8845	5049	5087	2294	10226	8435	10656	4076	23702	3172	6831	9919	8525	7699	10065	0	0	10898	10868	15124	41679	1465	6126	3381	0	0	0	3999	7478	0	8855	9038	9903	8421	8709	0	11042	13103	9528	11546	5332	11287	11276	1241	6750	9118	6880	7418	7826	42990	5113	2760	2946	3564	3912	8094	31205	5971	0	6437	20595	4411	18549	4035	8914	2600	25967	12449	24051	4024	5551	29548	9624	6166	6931	3394	2644	0	13959	7433	12843	34964	36138	11718	8326	5256	0	7109	15964	0	17699	4172	Lipid	0.20689656	1.3793104	0.0
14	C22 H44 O11	485.29562	485.2965	0.1577665	485.29572	0	0	2339	0	0	0	0	0	0	2015	2121	0	0	0	0	0	0	0	0	0	0	8532	0	0	0	0	0	8851	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2372	0	9101	32128	0	0	0	0	0	0	0	13181	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	343277	145031	0	2649	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.5	2.0	0.0
10	C23 H40 O7 N4	485.29697	485.2977	0.10556347	485.29703	5174	6118	6537	6294	0	20877	0	0	0	0	1681	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41914	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5676	5568	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	130327	0	0	0	0	0	0	0	0	0	2508	751128	413798	1861	19264	1237	0	5700	8125	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.7391304	0.17391305
24	C26 H44 O8	485.31088	485.31097	-0.2054572	485.3108	1764	0	1866	1590	0	0	19770	0	0	0	0	0	0	2689	0	0	31026	0	0	0	0	0	0	0	0	0	14811	2930	0	1713	0	3190	1808	900	0	2531	2279	902	55079	0	0	0	0	0	0	0	0	0	1439	0	1331	2146	1514	0	1948	0	0	1872	1034	0	0	0	0	0	2092	1735	0	3427	0	0	0	0	0	0	0	1637	0	0	0	0	0	0	8902	7165	0	0	1204	0	0	0	3873	2036	0	0	0	0	1722	0	0	0	0	1925	845	1807	1435	0	1497	0	0	0	Lipid	0.30769232	1.6923077	0.0
22	C30 H44 O5	485.32614	485.3267	-0.11978029	485.32608	26892	28759	21953	26634	22191	9038	35847	18534	20502	0	7590	19522	8374	29645	24095	30528	85784	11020	18421	3153	2398	40451	12774	10689	27437	0	39191	7763	16842	22039	16333	22140	27010	8248	0	27065	17697	25639	89256	2829	7585	20402	0	0	0	5362	8290	0	16258	19252	26444	18904	24653	0	21700	29793	25271	29059	8966	21094	24929	1217	9003	15477	26642	9471	19178	103038	2386	0	3386	5621	9963	22746	47747	21128	0	12543	40778	34660	25275	7539	20075	3627	57221	38880	58630	14372	16818	102843	29933	29235	31439	28943	49981	0	20858	25356	26661	54431	60027	41473	17055	17570	6203	21350	47698	0	38703	5131	Lipid	0.16666667	1.4666667	0.0
20	C30 H44 O5	485.32614	485.3267	0.008706113	485.32614	3327	2008	2454	2542	2662	3230	10126	4026	3193	0	0	1003	0	8975	2102	2774	19820	0	2606	0	0	0	2953	1888	3380	0	7828	0	4061	0	0	2489	4885	0	0	3346	2187	1768	22585	0	0	1302	0	0	0	0	0	0	1448	2059	2626	2296	4220	0	3812	5800	3456	4851	0	4209	2000	0	0	1812	3904	0	3203	24235	0	0	0	0	0	1575	11086	3670	0	2501	7077	0	3495	0	1280	0	9471	6056	6600	1084	1771	27578	2383	0	2584	0	0	0	3401	1945	2388	12659	14805	3417	1018	1803	0	3598	6803	0	5060	1335	Lipid	0.16666667	1.4666667	0.0
18	C23 H48 O10	485.33203	485.3327	0.027804084	485.33203	0	0	0	0	0	0	0	0	0	2717	0	0	0	0	0	0	0	0	0	0	0	1935	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1866	0	1977	0	0	0	0	0	0	0	0	0	2494	0	0	0	1206	2198	0	0	0	0	5053	0	0	0	2609	0	1411	4052	0	2007	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3437	0	1764	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23320	2763	0	0	0	0	Lipid	0.4347826	2.0869565	0.0
6	C26 H48 O6 N2	485.35852	485.35928	0.20784746	485.3586	27240	39790	20589	32020	0	0	20558	0	0	0	73677	0	0	3665	0	0	0	0	0	0	0	0	0	0	0	2175	142790	4396	0	0	0	0	0	0	1760	0	0	4055	0	0	0	0	0	0	0	0	0	0	0	0	30130	48667	0	0	0	42842	148688	0	0	0	0	2814	0	0	358351	0	0	4201	33546	2138	97760	0	0	0	14528	0	0	0	3311	0	9979	635	0	0	0	0	1326	2383	0	49091	0	0	0	18230	30344	0	17863	9101	130641	0	0	0	0	0	17932	0	0	0	4219	0	Lipid	0.23076923	1.8461539	0.07692308
4	C26 H48 O6 N2	485.35852	485.35947	0.1861987	485.3586	47620	34462	51099	35085	0	0	256119	0	0	3427	1028825	16267	0	1721	6441	681	5036	0	0	0	1229	0	9382	0	14085	560753	1787236	659009	0	0	0	0	0	0	0	644	0	28475	1109	0	0	0	0	0	0	0	13243	0	0	0	42634	17177	436	0	0	5755	123531	0	0	7515	2639	30436	0	0	3342540	0	0	26787	2700820	23318	502858	0	0	0	103959	0	0	263	6108	1208125	9239	8018	0	4309	0	0	2485	4844	0	17234	0	0	16050	15363	35829	0	48961	66266	16952	327	0	0	5457	0	259438	0	0	0	35337	0	Lipid	0.23076923	1.8461539	0.07692308
8	C26 H48 O6 N2	485.35852	485.35916	-0.13833228	485.35846	0	0	0	0	0	0	0	0	0	0	2072	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	763	661	0	0	0	0	0	0	0	20914	0	0	0	3723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1596	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23076923	1.8461539	0.07692308
2	C26 H48 O6 N2	485.35852	485.35977	0.103596985	485.35855	0	0	0	0	0	0	1857	0	0	0	917	1209	0	0	1627	3690	418	0	0	0	0	0	0	0	12907	116987	2572	81859	0	0	0	0	0	0	0	1151	0	330	0	0	0	0	0	0	0	0	588	0	0	470	0	0	0	0	0	0	597	0	0	0	2855	1132	0	0	15414	0	0	0	333585	669	2699	0	0	458	5460	0	0	0	0	114809	0	0	0	0	0	0	0	0	0	0	0	0	4717	0	1725	0	0	0	0	0	0	0	0	0	5950	0	0	0	0	0	Lipid	0.23076923	1.8461539	0.07692308
28	C31 H48 O4	485.36255	485.3629	-0.09312172	485.3625	4232	3040	3774	3584	1342	0	13511	0	3101	0	1132	1234	0	1079	4224	0	2525	0	0	0	0	0	2846	0	14465	0	9536	1547	2133	4076	1338	2076	1673	1214	0	5779	1145	6392	3080	0	0	0	0	0	0	0	0	0	806	0	3167	2273	0	0	3821	4137	4212	3675	2900	0	0	0	0	0	4174	0	2855	2939	0	0	0	0	0	5517	0	1961	0	1241	54153	17975	2519	2191	5080	0	17422	7695	64490	0	955	264962	2328	1161	13670	6700	0	0	4498	3565	4130	14715	17935	5413	1542	0	2638	860	13084	0	18500	0	Lipid	0.12903225	1.548387	0.0
18	C22 H15 O12 N1	486.0667	486.06744	0.08521716	486.06674	3831	2212	2682	3452	6366	0	1109	0	5243	4217	1619	1265	7169	4418	1323	0	0	6329	7275	2365	4766	13860	1853	0	0	0	0	0	0	0	0	0	2829	0	8485	0	0	0	0	2425	7337	1104	337	0	0	3873	10880	0	0	0	2565	3329	2197	0	8185	6435	2543	0	0	1112	0	4728	15390	6895	2767	6397	3773	1541	1493	0	0	0	0	0	0	0	0	0	3341	7179	1789	5895	0	0	9498	3337	1570	3428	3268	2064	0	0	0	21916	16705	0	2778	0	5184	11188	5321	0	0	0	5539	0	5142	0	0	9441	Phytochemical	0.54545456	0.6818182	0.045454547
20	C22 H15 O12 N1	486.0667	486.0673	-0.032994084	486.06668	14194	7724	4002	5346	18918	4820	2874	0	15646	7848	4322	0	26450	7644	0	3604	0	20683	11288	4178	15608	38571	2580	0	0	0	3752	0	0	0	0	0	0	0	14339	0	3554	4156	3982	7523	7956	5776	0	0	0	4048	32498	1100	0	0	10706	3466	7781	0	22036	22603	7860	0	0	2248	0	10894	27116	24126	3602	18374	4486	0	0	0	0	2638	0	0	0	0	0	2258	3772	27627	6990	8050	0	0	19307	8900	7090	5024	3604	3446	0	0	0	40320	37271	0	4676	9276	13880	27566	19444	2996	0	2814	25488	3030	9514	0	0	24409	Phytochemical	0.54545456	0.6818182	0.045454547
26	C22 H15 O12 N1	486.0667	486.06738	0.057163216	486.06674	3472	3649	2864	4813	7010	2705	0	0	6501	6148	0	0	11958	0	0	0	0	13056	9507	0	5761	15612	0	0	0	0	0	0	0	0	0	0	0	0	6555	0	0	0	0	3630	4776	0	0	0	0	0	0	0	0	0	3386	4625	4182	0	9468	0	0	1914	0	0	0	2943	15134	8088	0	7989	2557	0	0	0	0	0	0	0	0	0	0	0	6718	8623	4135	0	0	0	9849	0	0	2440	0	2092	0	0	0	17900	21191	0	3479	0	2560	5672	0	0	0	0	0	1340	4574	0	0	13450	Phytochemical	0.54545456	0.6818182	0.045454547
16	C19 H19 O14 N1	486.08783	486.08862	0.10267141	486.0879	5504	2635	3592	7374	18949	10288	0	0	23556	0	0	2637	40166	2849	1801	0	0	20358	19914	2006	4804	11496	11037	0	0	0	1251	0	0	0	0	0	4344	0	1697	0	0	2661	0	2018	6625	7993	583	0	0	3077	19431	0	0	0	5256	4163	11902	0	19762	31424	6512	0	1325	2339	0	2905	41247	23860	7790	13357	9388	0	0	0	0	0	0	0	2056	0	0	1427	2316	11626	2451	10038	0	0	29340	5528	1811	5206	6877	0	0	0	0	17319	5460	0	4832	5817	21586	20687	24818	0	1204	0	18662	0	20264	0	1293	40094	Phytochemical	0.7368421	1.0	0.05263158
18	C19 H19 O14 N1	486.08783	486.08856	0.18028419	486.08792	2625	5653	3426	2397	24455	8060	0	0	16227	0	3578	4562	35191	3839	0	0	0	17334	12381	0	5573	10378	7300	0	0	0	0	0	0	0	0	2788	1672	0	0	0	1767	1138	1586	2692	4091	7385	0	0	0	5803	21710	388	0	0	4128	2003	7915	0	19749	24450	4885	1484	1340	0	0	3689	23573	18533	7136	17108	3131	0	1885	0	0	0	0	0	0	0	0	1905	1520	11645	1929	7841	0	1351	20100	5421	3569	4563	5829	0	0	3254	2477	10872	1714	0	4029	6614	22060	14181	19932	1707	2555	0	15265	1735	13798	0	0	27982	Phytochemical	0.7368421	1.0	0.05263158
28	C19 H19 O14 N1	486.08783	486.0885	0.002692284	486.08783	2165	2358	3199	2691	6925	5952	0	0	7893	0	2397	0	11590	1919	0	0	0	9786	6463	0	4982	4014	0	0	0	0	0	0	0	0	0	0	0	0	3862	0	1123	0	0	0	2806	0	0	0	0	5710	21478	0	0	0	4404	1915	3646	0	9135	7105	1549	0	0	0	0	2751	11696	5294	0	4127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6364	0	0	4775	0	0	0	0	0	0	0	0	5183	0	0	3751	2017	7086	4573	4739	0	0	0	19523	0	5314	0	0	18784	Phytochemical	0.7368421	1.0	0.05263158
12	C19 H19 O14 N1	486.08783	486.0888	0.17356305	486.08792	2878	2591	0	2080	10570	3318	0	0	14048	0	1963	2534	25638	1716	1110	0	1892	12126	11032	3564	5154	4745	1967	0	0	0	0	0	0	1242	0	0	0	0	2474	0	1645	0	0	2624	0	6415	0	0	0	1427	8974	0	0	0	2950	2485	4818	0	11624	21653	4824	0	0	0	0	0	30828	12270	3542	12620	3693	0	0	0	0	0	0	0	0	0	0	0	1336	0	0	2188	0	0	16366	6095	0	5191	3816	0	0	0	2240	10235	3553	0	2226	6776	20682	16063	21177	2111	1373	0	0	1646	10197	0	0	21708	Phytochemical	0.7368421	1.0	0.05263158
26	C19 H19 O14 N1	486.08783	486.0886	-0.14374527	486.08777	0	0	0	0	5823	6337	0	0	8486	0	0	0	7923	0	0	0	0	7192	4843	0	0	5241	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22426	0	0	0	0	0	2774	0	4918	6139	0	0	0	0	0	0	13352	3805	0	3109	2017	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4182	0	0	7033	0	0	0	0	0	0	0	0	0	0	0	0	0	5784	2909	0	0	0	0	14582	0	4190	0	0	17430	Phytochemical	0.7368421	1.0	0.05263158
14	C19 H19 O14 N1	486.08783	486.08875	0.1954038	486.08792	7236	0	6518	4774	36522	11002	0	0	42938	0	8400	8762	68846	8090	4278	0	0	36294	33782	7152	14604	14270	11626	0	2378	0	0	0	0	0	0	0	3358	0	4528	0	0	4656	2624	0	0	17890	0	0	0	13156	51542	0	4174	2698	5316	8560	12660	0	45488	52852	14618	0	0	0	0	6900	69283	38976	14040	37878	12186	2740	0	0	0	0	0	0	4008	0	0	4140	4538	0	4036	16302	0	1998	60616	17056	6150	22610	10848	0	0	0	4914	40550	10375	0	5156	20274	43614	54030	60136	8230	3936	0	32802	5632	43364	0	0	68952	Phytochemical	0.7368421	1.0	0.05263158
20	C19 H19 O14 N1	486.08783	486.08868	0.1845059	486.08792	3743	1508	2065	3597	8268	7352	0	0	10180	3147	0	1783	29375	3513	0	0	0	9987	9307	2694	2944	5449	1625	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2292	0	2410	0	0	0	4162	14881	0	0	0	3456	1629	4080	0	11975	12693	3404	0	0	0	0	3203	15602	11416	4142	6393	2512	0	1801	0	0	0	0	0	0	0	0	0	1829	2068	0	4815	1135	0	10347	5915	0	4123	2017	0	0	0	2134	10334	0	0	2587	3619	9615	10327	8229	0	1401	0	14015	0	12996	0	0	22840	Phytochemical	0.7368421	1.0	0.05263158
26	C23 H19 O11 N1	486.1031	486.1037	-0.08469245	486.10306	4768	3258	3575	5962	5545	5312	0	0	6511	16958	3916	0	10451	2514	0	0	0	8570	8744	0	8862	17502	0	0	0	0	0	0	0	0	0	0	0	0	18900	0	0	0	0	6426	7220	0	0	0	0	7420	9515	0	0	0	3190	5855	6324	0	9024	0	0	0	0	0	0	4945	15174	9854	0	8587	3666	0	0	5167	5459	0	0	0	0	0	0	0	3156	9751	2997	6979	0	4299	8305	0	3209	0	2438	0	2504	3105	0	22235	35336	0	6098	6701	4871	3201	4781	0	0	0	10523	0	7819	0	0	12939	Phytochemical	0.47826087	0.82608694	0.04347826
20	C23 H19 O11 N1	486.1031	486.10373	0.052598048	486.10312	13571	18977	13216	14102	21227	8970	3282	2446	23617	58957	19932	2021	40687	6539	5653	4180	3332	27202	29105	30793	48360	62965	5031	4352	4614	6814	2678	10035	0	1768	0	0	4759	2125	65001	1811	4714	5646	3143	34705	31181	7462	1087	0	0	26834	49985	0	2839	1788	15928	20325	14806	259	27181	27782	6372	4786	3882	4258	6216	23084	40495	26629	8667	23661	9903	1858	12002	16807	18677	2356	0	0	0	0	0	2004	19711	42255	7976	25955	4010	13146	25337	11934	12737	6269	10540	9118	8794	14097	7658	65454	67031	0	11845	18355	21979	21231	27914	4018	3464	5440	24648	5247	18946	0	4673	38001	Phytochemical	0.47826087	0.82608694	0.04347826
12	C23 H19 O11 N1	486.1031	486.10394	0.12869558	486.10315	2982	5166	5187	3286	10099	1953	0	0	10797	26941	16902	0	16314	2342	0	0	0	9385	11490	10077	22469	22645	0	0	0	5281	0	0	0	994	0	0	0	0	41777	0	0	2268	0	7188	21097	2146	0	0	0	7055	20819	0	0	0	5012	3568	4844	0	9990	7650	2705	0	0	0	0	8862	17557	9713	2488	8022	3468	0	0	8157	20791	0	0	0	0	0	0	0	5232	19880	2961	10868	0	2988	10615	3739	4365	1223	1815	6700	0	1941	0	25993	16521	0	3597	3473	6544	11320	9541	0	0	0	0	2068	5813	0	0	15926	Phytochemical	0.47826087	0.82608694	0.04347826
14	C23 H19 O11 N1	486.1031	486.1039	0.082751065	486.10312	11372	12616	7007	8055	14268	5129	0	0	15227	48740	25093	2304	21180	6119	2726	0	2096	14127	15164	20687	39633	37863	3170	0	1556	12951	0	13600	0	0	0	0	2276	0	74142	0	2883	0	0	20354	29717	3135	0	0	0	19513	41183	0	0	0	7814	8708	6365	0	17807	14288	5507	0	0	0	0	18757	29729	13361	2865	12630	3623	0	32043	18305	36527	0	0	0	1996	0	0	0	8949	36426	4639	24103	3258	10975	18826	6440	9851	3555	3580	5523	3572	6389	6907	48677	43843	0	11425	11239	9431	18110	13940	3615	1153	0	19704	3082	12952	0	0	24414	Phytochemical	0.47826087	0.82608694	0.04347826
22	C23 H19 O11 N1	486.1031	486.1037	0.055338282	486.10312	11660	11049	6716	8283	13071	7571	1409	0	15034	36633	14190	0	23835	0	1752	2874	1432	19837	14013	21343	26177	42120	7197	2373	2646	8038	2490	3399	1740	0	2465	0	3147	1315	50089	0	4256	2535	1194	16586	17878	3251	0	0	0	27375	36423	0	2353	1126	9611	9375	12232	0	21736	14426	5457	5842	3825	1695	3605	13912	29007	20252	6325	11209	7049	2196	6216	8898	10593	1408	1821	0	0	1501	0	2236	10035	22955	7980	22144	2780	12228	14287	8063	10149	6004	6702	6105	0	4725	3315	42670	55134	0	7890	7366	11445	16983	16993	4590	1842	2022	25958	2761	12473	0	2564	24811	Phytochemical	0.47826087	0.82608694	0.04347826
28	C23 H19 O11 N1	486.1031	486.10364	0.031351935	486.1031	4236	5649	4132	3019	6323	3216	1183	0	6108	17787	3810	1449	12347	2232	0	0	0	6811	6687	7183	10795	12707	2819	2004	2580	2557	938	1220	0	0	959	0	2090	0	18094	0	1624	1587	0	6384	5018	0	0	0	0	7666	10415	0	0	0	4561	3870	2742	0	9565	4567	2090	1834	0	0	2555	4386	13547	6774	2515	4680	1636	0	3070	4762	7430	0	0	0	0	1053	0	1009	5407	8926	2845	6341	0	2904	3839	3584	3032	2432	3516	1471	1757	2844	2866	14292	23162	0	4458	3816	2348	4061	5265	0	0	2972	6841	1799	3604	0	1161	10253	Phytochemical	0.47826087	0.82608694	0.04347826
16	C23 H19 O11 N1	486.1031	486.1038	0.051721495	486.10312	10187	17752	14405	20366	20705	10104	1926	0	21158	71180	34660	1702	30104	6953	3689	4832	2649	20652	22765	35764	56333	60379	5965	2153	3576	18615	1833	12354	1591	1474	1652	0	4704	0	108997	0	4429	3845	4312	38854	42811	7413	274	0	0	32012	44497	0	1814	2004	13485	14458	11740	0	23727	17001	7495	6783	4682	2752	0	20345	44894	25608	8034	30928	4956	3112	28885	27072	41301	0	0	0	2747	1514	0	2890	13114	45383	6746	27086	3949	18542	23362	9369	9411	7595	5469	0	7863	10582	0	54496	67719	0	14613	16094	19647	27704	19656	0	2743	5684	29176	0	17637	0	4243	32285	Phytochemical	0.47826087	0.82608694	0.04347826
18	C23 H19 O11 N1	486.1031	486.10373	0.051351067	486.10312	22855	21346	18875	17092	19697	10035	4823	2113	27368	76057	38110	2971	43603	8757	4778	6339	3568	33134	29281	42511	56895	71839	4918	5964	5276	15121	2851	16943	0	0	2141	3504	10537	0	108976	0	9041	2569	3251	40206	46133	6716	771	0	0	35395	49361	0	2676	2406	21188	22370	18035	0	28499	24599	7659	4757	7077	4570	3889	26141	58962	27980	8745	31546	10922	3988	16563	21595	43282	1364	0	0	1879	0	0	2464	14520	49842	10071	37622	3891	18105	28203	16764	14804	10243	10699	10022	8769	10988	11686	71997	94222	0	20495	17891	21275	29293	16128	4152	1714	5060	30374	5256	16034	0	5671	39673	Phytochemical	0.47826087	0.82608694	0.04347826
24	C23 H19 O11 N1	486.1031	486.10367	0.021238424	486.1031	4868	4313	5129	7314	9001	4190	1428	0	9583	28940	4727	1144	15628	3250	3027	1544	0	13180	13971	8180	15033	23761	2499	3072	0	1355	1548	1488	1481	0	0	0	1456	0	30204	1275	2726	2021	0	9822	9132	0	0	0	0	11840	21641	0	1289	0	6060	5032	6236	0	9959	6707	2566	1564	0	1752	2296	5351	17351	10034	2742	7963	2675	1637	5696	7062	6057	0	0	0	0	0	0	1064	4908	14794	3873	7568	1611	6232	10825	5093	1955	3420	2486	3064	2046	2448	3177	30121	30917	0	6631	5391	4481	6325	6854	1297	1435	2425	10429	2669	4144	0	2249	12893	Phytochemical	0.47826087	0.82608694	0.04347826
28	C20 H23 O13 N1	486.1242	486.12488	0.0923568	486.12427	12190	9598	9487	8684	11229	12736	0	2782	10013	14150	5972	3786	13530	3158	3269	2291	0	18865	8828	24698	33131	10666	4726	5262	0	3426	0	1995	2625	0	3837	2487	4704	3598	15954	3989	3626	2770	1963	14704	19123	4314	0	0	0	44190	92413	0	3683	0	9794	7413	10479	0	9357	7308	2896	2671	5834	3117	3095	18769	9363	9458	2966	7418	5191	1818	17988	11071	18662	3294	3500	3614	4856	3516	0	3459	3323	5342	2317	37374	0	6297	8579	3221	1742	2680	4827	1764	979	2279	3655	9518	10210	0	8765	10775	12000	2578	4925	3995	2753	3361	56141	3956	8675	0	1268	13394	Phytochemical	0.65	1.15	0.05
12	C20 H23 O13 N1	486.1242	486.12497	0.06714732	486.12424	63916	71070	69573	70557	81932	60435	21692	56197	106152	74608	78040	44317	157349	30108	54389	39219	64307	138549	135559	106816	161251	152067	72978	50359	16008	12688	19686	15522	35954	39389	38435	30579	54223	31066	141608	37694	44104	41977	36609	73213	153145	56932	1806	0	0	166511	373565	0	37858	44744	57117	58386	69003	266	130873	101063	42104	39791	38915	45301	37452	94092	179926	111120	43763	93470	54924	57539	49848	25062	52154	35861	31376	31868	35953	32363	216	46480	58204	84256	44750	126667	22527	20696	114860	57997	49160	43881	50892	43934	7853	42330	63063	150900	96297	506	76363	95262	127608	79836	96616	64899	41089	44863	258376	43713	112771	349	19548	160868	Phytochemical	0.65	1.15	0.05
24	C20 H23 O13 N1	486.1242	486.1249	0.14214444	486.1243	7219	5855	8168	6992	10995	12603	1369	3268	9291	11108	4014	4456	15386	3506	4811	4535	3354	18022	15588	10358	22399	7961	6040	3898	1482	0	1336	0	1849	1613	4061	0	3167	3446	5480	3011	3737	0	2003	10494	12035	3569	0	0	0	46838	101538	0	2685	5123	8318	5977	7344	0	11532	6277	3284	0	3401	4346	1822	16705	10389	7573	3339	6663	5198	0	9457	1872	11070	4892	1562	3829	3851	2198	0	6146	2283	8455	1685	50973	1170	2124	8436	6380	3235	4501	4052	0	0	3674	3963	10864	5541	0	7319	7901	13818	5725	4555	2660	2230	2280	65954	3272	9191	0	1520	15977	Phytochemical	0.65	1.15	0.05
8	C20 H23 O13 N1	486.1242	486.1251	0.12923731	486.12427	12673	14071	9582	13681	15145	7619	3695	6820	23121	13015	16758	9506	36900	4974	7196	10920	14692	25453	23530	15072	31293	22448	14886	8182	1432	1917	4930	1895	4524	8412	5007	6347	7934	4375	22034	5555	7827	7228	10756	11251	24133	11764	0	0	0	20662	44751	0	6341	7812	10418	13913	13912	0	25333	24710	10577	6085	3796	12108	8502	10384	35612	25277	8449	17641	10518	13685	8419	3573	8162	6746	5768	4280	10401	4331	0	5065	11121	8952	8904	11226	2708	2711	31895	12084	9605	12442	10791	13863	0	0	9759	21832	18952	0	11476	18151	22950	26480	31859	11816	6623	9175	20867	6146	25186	0	3570	32130	Phytochemical	0.65	1.15	0.05
20	C20 H23 O13 N1	486.1242	486.12488	0.036653914	486.12424	29130	23322	17172	17573	35122	26777	4829	16611	44605	16815	13313	13517	58303	18075	14235	12905	9864	56109	40161	27655	57728	25557	23917	11943	4425	0	4834	5545	8917	8511	10910	7185	8984	8882	23820	10948	13655	10384	8531	28181	29322	16068	1284	0	511	100852	226369	1004	8073	16265	29481	20812	28854	353	51448	32387	15843	7542	14085	11673	8199	39885	44458	33532	14065	24451	16177	7223	28688	12585	19612	9710	10027	8756	11930	9237	476	12851	10513	34314	11284	94761	4955	0	42821	23715	9561	15460	19925	6523	4357	10326	18132	34026	25111	682	23548	29976	42607	21961	24613	10372	12208	15232	138566	15932	44276	0	5502	43518	Phytochemical	0.65	1.15	0.05
14	C20 H23 O13 N1	486.1242	486.12494	0.05907459	486.12424	65801	61020	62219	57147	91645	73758	24039	47885	124568	62928	66366	48544	200194	39965	59450	43541	50169	162420	142056	100302	168441	137428	77297	59020	18411	14013	20209	18805	34477	32365	29648	40686	58932	28978	101959	40819	48442	44113	30308	63531	118142	61601	0	391	0	175900	377169	0	27770	39562	67238	62083	68977	319	165530	106161	48690	32197	55014	47796	46911	106547	160264	120926	54215	95702	57708	35564	60065	22285	44388	29935	30795	33807	38269	31208	0	40523	50497	104948	36496	154697	14561	17260	123985	65364	37980	57714	51712	28700	12865	39334	62604	119976	97392	561	63252	89241	96884	81385	98135	68434	43885	49878	360566	41056	104728	0	18600	146329	Phytochemical	0.65	1.15	0.05
26	C20 H23 O13 N1	486.1242	486.12485	0.03152012	486.12424	7316	8023	9195	6254	11421	12164	0	0	11885	10240	4700	3950	11539	0	0	0	0	14830	9383	16701	25140	8776	5398	0	0	0	0	0	0	0	2790	0	2359	0	11330	0	3435	2680	3107	9423	18052	0	0	0	0	47434	113959	0	0	0	7369	7746	7746	0	9259	10195	4232	0	3609	3274	0	15526	9756	7322	4402	5074	2688	3721	11619	7601	11947	3386	0	0	0	0	0	3074	2385	0	3535	33859	0	3119	10311	0	0	3121	3201	1343	2013	0	0	7112	5772	0	6863	10063	11256	0	0	0	3977	0	53626	2386	6159	0	0	14150	Phytochemical	0.65	1.15	0.05
16	C20 H23 O13 N1	486.1242	486.12494	0.061366744	486.12424	61946	53840	56973	60232	93833	63421	16468	34834	107006	53247	56503	36878	182332	36143	51753	36865	37717	163096	145231	91836	120208	104391	67903	32759	17162	11519	17036	15167	27925	25310	33936	24555	33592	23575	75564	29783	43853	33828	20312	50392	82012	53855	3555	370	417	186663	341953	960	20756	34722	53007	55410	68663	387	136805	101277	45720	23082	46062	36078	39557	78892	141488	101062	42470	87573	49504	26517	58442	20443	53058	35655	27075	37120	30168	28993	340	36113	30459	100255	36295	167024	12691	17137	126985	55613	24618	41731	45180	0	9186	31137	62096	103730	85314	636	62456	78933	97627	61614	76267	60357	35307	27021	247156	41162	99478	333	15814	152592	Phytochemical	0.65	1.15	0.05
10	C20 H23 O13 N1	486.1242	486.125	0.110138	486.12427	30960	39087	33016	35550	39687	24257	9033	22880	52366	40137	44724	26592	76067	17024	23415	26649	28363	71242	72590	48422	75989	62734	35446	20293	6676	3859	11694	7126	15029	20743	12402	17746	28935	14099	54604	18358	21852	20486	27685	24095	63833	29476	636	0	0	56756	136538	0	20341	23765	32459	34302	32513	0	68228	51143	24427	13925	16853	33718	20957	33683	82508	56513	26824	42420	26477	30814	25458	7379	23035	19217	19472	17566	25796	19308	0	16612	27487	45565	18652	43516	9234	8126	68231	26447	17339	28546	25154	20493	5588	10560	32932	66183	65559	0	33317	43286	57389	46399	50618	31507	19408	20679	99067	24436	54479	0	8193	70705	Phytochemical	0.65	1.15	0.05
12	C24 H23 O10 N1	486.13947	486.14023	0.07274566	486.1395	10493	12228	8212	8599	11907	6461	2816	4259	14506	65964	34592	4403	17214	3946	3612	3778	0	9464	17093	38407	51421	39225	3650	3184	2633	33273	2672	22201	3338	1274	2607	0	4470	2681	93781	1249	5894	3738	1990	34575	47236	3179	0	0	0	29352	39200	0	2899	1337	12409	8939	8241	0	15312	9436	4244	5468	5714	0	0	25096	19460	11552	3372	14116	5380	5010	33675	54360	59712	2709	1804	0	2164	2457	0	2944	6980	19165	6292	15740	3141	20000	8406	6225	9706	5061	5227	8313	5789	14689	10194	37789	34744	0	13172	11409	16080	12716	10282	2047	1777	6196	0	5456	10429	0	4097	20621	Phytochemical	0.41666666	0.9583333	0.041666668
14	C24 H23 O10 N1	486.13947	486.14023	0.08055887	486.13953	21397	20265	22236	22132	22337	11354	0	5634	24901	101473	58608	3975	30818	11522	6982	11912	4126	19897	24897	63557	77448	58371	9102	7608	7278	49064	4573	32725	3910	3566	4917	0	11317	3964	131647	2223	8971	6788	7260	53760	56451	7908	0	0	0	37165	45867	0	7599	2921	16770	24804	13184	0	27849	20503	7896	8239	8370	8595	0	38876	40049	19908	6843	22964	9833	8218	61937	78830	83027	4350	3443	1310	3560	3844	0	4278	16990	40217	7492	30357	6735	31983	20211	10751	13876	9202	5379	17839	10647	16722	16533	52105	60641	0	17177	17778	14392	18589	22116	4242	3750	10925	38715	7371	17091	0	10112	34012	Phytochemical	0.41666666	0.9583333	0.041666668
24	C24 H23 O10 N1	486.13947	486.14	-0.016330134	486.13947	6476	7005	5968	8507	7077	7613	1613	2065	12414	43426	10954	1280	15200	3659	2321	2590	1461	12342	9296	13412	21263	22498	2535	1758	3653	11462	1727	10226	1230	0	0	1557	2798	1131	37414	0	3641	1695	3226	17369	13404	1914	0	0	0	19986	23508	0	1920	1787	6037	8345	8039	0	13832	5253	3015	1795	2457	891	3127	10469	18091	8583	2918	9863	5527	2109	15454	22627	29518	1090	2214	0	0	1244	0	1439	5551	15917	3464	15449	1828	9425	12608	3953	4431	3446	2725	2739	4365	5579	4084	22424	40589	0	6558	8893	9026	7659	6407	3051	1392	3867	14245	3485	7899	0	1355	16303	Phytochemical	0.41666666	0.9583333	0.041666668
20	C24 H23 O10 N1	486.13947	486.14008	0.001888242	486.13947	27275	32245	31957	28711	26386	14408	8617	7825	37746	150557	64862	3936	41261	18800	11651	9994	5201	34460	34866	91898	108101	68816	13796	16188	10395	62049	5039	47136	5042	5486	4444	4698	9873	7948	151826	4895	15429	7198	6190	67344	51397	14377	821	0	0	70574	67910	0	9048	5730	21172	30210	24186	334	37530	29052	14255	11610	12474	7275	9659	43072	48531	29669	12086	35802	19557	7185	63103	90433	85353	5103	3976	0	3521	3698	0	6283	15704	57815	9991	41995	12256	55808	34456	22581	21349	12231	15975	9085	25714	27788	21894	84484	103841	0	29473	31016	28534	23826	23202	12001	4433	12012	51484	8326	19745	0	7559	51094	Phytochemical	0.41666666	0.9583333	0.041666668
22	C24 H23 O10 N1	486.13947	486.14008	0.015307194	486.13947	18697	18836	13013	15200	15591	10467	4156	2496	24443	78772	38598	2739	23850	8452	2549	7816	2589	27063	16118	39072	53555	58171	6415	8185	6086	31092	3587	25679	3386	1767	3933	0	2853	2493	93478	4123	5739	2530	3455	43597	23279	9936	0	0	0	42741	43511	0	5201	2209	10916	13339	14260	0	23723	15939	8167	7869	6522	3632	5409	29912	35886	19324	5932	14608	9735	3400	37469	52488	47060	2365	0	1151	1897	4381	0	3247	7797	32235	6125	33067	5316	25200	17386	10923	11942	9162	6619	6180	13381	8910	4417	45773	72779	0	13800	12449	13530	18533	13762	8177	3489	13118	38094	3693	12060	0	4679	31731	Phytochemical	0.41666666	0.9583333	0.041666668
16	C24 H23 O10 N1	486.13947	486.14017	0.04991644	486.1395	36690	38183	31436	35435	27717	23114	8249	11400	25521	158917	68765	4124	48647	11847	11124	8896	9236	37448	41286	93391	110259	72342	15869	13897	8314	75991	6788	49830	8248	7478	5228	6881	11056	6581	207172	7170	17059	6297	8458	75541	66180	10821	683	0	0	54936	64117	0	9988	9268	34213	32560	17154	0	35609	24812	11804	9993	12849	7484	8099	39660	48518	34926	8229	32214	13798	7729	67444	99366	103980	10329	6437	3711	4118	8565	0	6900	20915	57552	15500	42110	14200	48535	30111	15786	20876	12046	12527	0	36076	27389	39994	77449	108193	0	29912	28976	22237	32338	29338	9999	6221	8000	34222	0	20859	0	13804	45925	Phytochemical	0.41666666	0.9583333	0.041666668
26	C24 H23 O10 N1	486.13947	486.14014	-0.050374147	486.13943	4141	4700	4094	3062	3944	4007	0	0	6311	21253	5214	0	5001	0	0	0	0	8344	5585	8927	13311	17177	0	0	0	5211	0	3984	0	0	0	0	0	0	24838	0	1761	0	0	9919	9126	0	0	0	0	11799	10826	0	0	0	3701	3000	5033	0	6931	0	0	0	0	0	0	7336	7812	6290	0	6667	2598	0	9944	15399	13576	0	0	0	0	0	0	0	3279	6474	2382	3046	0	4241	8029	0	2223	0	0	2986	0	3010	0	10848	26559	0	3530	0	0	3218	0	0	0	0	9690	1837	0	0	0	7616	Phytochemical	0.41666666	0.9583333	0.041666668
8	C24 H23 O10 N1	486.13947	486.1403	0.036301393	486.1395	3001	3619	1937	3835	2947	1718	730	0	3341	17368	6091	712	4817	1273	819	0	0	2881	5564	11066	13481	11081	1441	1864	972	6114	696	3784	775	0	967	0	1349	0	25580	0	1369	937	1592	5791	10189	1274	0	0	0	6257	11009	0	1115	858	2033	3150	1998	0	4464	4563	0	1968	1293	1769	0	5924	5650	3595	0	3380	2082	0	11582	7634	17959	1308	1139	0	0	1258	0	0	2025	5050	1664	4068	772	4506	3772	0	2311	1384	1307	3410	0	0	2548	7986	10963	0	3951	3029	3559	4762	4475	2014	0	0	0	985	2955	0	962	3644	Phytochemical	0.41666666	0.9583333	0.041666668
18	C24 H23 O10 N1	486.13947	486.14014	0.023498233	486.1395	40376	40049	35334	35811	34155	24497	8432	10888	34988	181247	81481	7670	53966	20891	8043	9869	5913	42325	53990	102361	112584	91193	14376	10327	13574	89876	9075	60329	7612	8196	7971	4930	12119	8569	204031	7640	18248	11659	8773	84466	76115	13399	1049	0	0	69917	64950	0	9101	7063	31530	40997	24974	0	39106	27436	15797	17170	10465	13294	14830	59262	69438	33651	13773	35150	23878	8486	75083	106088	105334	9561	4862	3065	8050	7954	0	7197	26294	67504	15260	46432	9048	56244	38130	21184	17927	13065	16093	14926	35453	43398	26174	85450	136392	0	40920	34814	34309	27424	32845	15858	6725	17531	46557	12806	27913	0	13260	55881	Phytochemical	0.41666666	0.9583333	0.041666668
26	C21 H27 O12 N1	486.1606	486.16122	0.04067503	486.1606	8465	9206	7708	10353	6508	9384	2630	10237	8637	27360	6330	6724	11221	3032	6260	5184	0	17727	9103	38210	36794	5867	10063	7995	0	7037	2152	3847	0	5756	6129	6341	5505	7371	25242	8803	5768	2651	3983	21837	19375	0	0	0	0	43727	73479	0	6189	7407	9976	9772	7131	0	7870	6730	4794	3495	6098	5045	6477	16200	8832	8403	0	4807	4516	2964	14686	26953	16967	8877	7399	8629	7695	5386	0	5603	3849	0	6058	30688	0	11930	6812	0	3167	2928	4760	0	6330	3691	0	4562	10721	0	9581	13457	9145	3477	0	0	2952	7974	33608	5087	7011	0	2949	12798	Phytochemical	0.5714286	1.2857143	0.04761905
14	C21 H27 O12 N1	486.1606	486.16135	0.0672585	486.16064	230327	213412	199858	232264	182904	173024	130039	287225	247818	384568	217182	143436	307888	114343	240766	224289	179253	348454	321358	536604	582389	345868	257404	283082	161757	183929	102359	166650	234482	251598	188665	226870	219579	175261	511363	238419	205247	177758	136301	326162	243675	166710	7649	956	320	690403	782736	622	192879	250867	209417	210002	150234	709	359735	183427	104161	184973	320045	151381	303100	303116	271231	229340	107031	175220	164571	119674	300330	250302	225385	208573	194029	273307	159066	184489	479	176312	144890	234808	152322	424217	135424	168783	235937	177008	128859	134479	148772	103014	118645	184084	279318	229087	300017	1916	227913	297864	206244	120425	159666	272134	162361	312444	740833	177693	217248	487	111770	258329	Phytochemical	0.5714286	1.2857143	0.04761905
12	C21 H27 O12 N1	486.1606	486.16138	0.06822692	486.16064	131106	141386	140252	136985	105042	89770	109394	206691	131241	219925	167052	104700	150883	48814	129242	132327	138026	204323	194207	331505	319464	226570	150075	170926	82520	96285	71385	97621	158158	139491	129395	107162	140497	102037	309238	145652	103226	107959	106041	205882	235948	92000	3939	587	0	365220	483739	0	108028	158631	130170	130855	103079	376	203152	107566	66356	128334	173718	127193	173765	189485	174048	125675	59172	124948	102220	118770	213239	145209	165349	127314	121538	148616	96699	98972	361	113458	110361	130228	101658	227807	94371	104306	137061	94502	90569	70196	81911	114442	59131	109740	161353	158376	178385	1231	138339	191912	136326	75786	107701	166453	93627	160180	377624	116916	127475	0	75133	177474	Phytochemical	0.5714286	1.2857143	0.04761905
24	C21 H27 O12 N1	486.1606	486.1612	0.036273737	486.1606	16366	15150	17534	13697	16210	14029	6296	20227	18225	37663	18007	8713	28270	4040	13024	6926	8300	23120	18624	42251	53592	10846	12273	15821	6987	23294	3881	12087	9726	9659	11846	12275	10398	14649	28536	13426	10816	7778	7353	29621	24121	6172	0	0	0	64535	97931	0	10343	16156	16057	15312	13015	0	15907	5364	3129	5842	12130	6509	11333	23424	11767	12916	5514	15701	5112	6641	25339	31325	33275	16421	15602	17591	10500	8444	0	9084	9387	8804	7353	50872	7954	13936	16082	10745	5177	4943	7066	6382	6934	13005	14134	11028	13116	0	16917	20271	16013	7368	9889	9699	7664	11021	60371	11095	19530	0	6540	18847	Phytochemical	0.5714286	1.2857143	0.04761905
28	C21 H27 O12 N1	486.1606	486.16122	0.008099333	486.1606	10790	8459	10466	10381	8856	10543	3407	8096	7147	32706	8749	4428	11167	3171	4800	8597	3495	16884	10102	43595	41176	7220	6852	10879	2718	10214	1973	5875	6575	6415	6617	6045	5780	7464	26582	9053	6677	5708	4216	19578	12119	4216	0	0	0	41998	54954	0	7946	7740	11761	10144	7205	0	6309	4937	3010	5945	5256	3516	6507	16822	8543	6012	2223	6323	5611	3153	19603	31318	23178	7054	6301	9686	7719	5244	0	4867	2555	4442	3584	23436	4335	11224	8507	3663	3981	2327	3319	2533	2878	5224	6435	6726	8775	0	10560	11085	6454	3047	3362	4752	2344	5704	28905	5575	7997	0	2422	10308	Phytochemical	0.5714286	1.2857143	0.04761905
16	C21 H27 O12 N1	486.1606	486.1613	0.036111083	486.1606	239781	237937	233385	240626	228000	209095	143752	288219	272815	386284	189359	146106	412597	109467	255657	201777	153528	441315	386164	571923	556573	303106	261913	271338	155809	210607	107417	134542	259731	231606	212185	212065	228045	174578	497285	253705	221558	157484	126833	368718	211996	173532	9826	1020	1033	758932	768487	862	196625	263207	232323	237876	198660	893	409639	194958	119986	172530	267401	126877	259721	298066	309329	236847	109912	219916	168728	106057	280468	301630	256683	248067	217603	0	157670	192798	547	174260	165671	237470	154576	506857	137484	181361	258545	167614	125742	122828	152944	89797	132436	213187	335908	203607	329954	2755	242699	308621	231499	123895	163299	256591	146922	262452	546054	208804	244859	1358	116472	322025	Phytochemical	0.5714286	1.2857143	0.04761905
22	C21 H27 O12 N1	486.1606	486.16125	0.037511222	486.1606	89834	75304	77358	86358	88432	83440	24564	100368	84278	137556	43546	53170	110688	32610	70510	56926	48256	140276	81554	161258	184392	70198	76328	90380	46672	77051	25456	34918	71744	71604	70180	80274	51264	65412	95936	67676	59824	59104	37634	100830	93255	44514	0	0	856	308264	378322	0	58860	87968	79454	76838	66472	672	113580	63254	48000	41262	58988	41568	53142	118976	88422	74860	37446	60124	42546	27388	114689	149185	102454	62238	70456	96518	45232	46930	2032	59838	57342	60704	52672	218468	38918	66045	98104	68386	29478	35552	43950	19100	30516	52552	69732	61252	90649	0	78760	99160	85094	36236	47486	61606	43218	80956	248020	58322	83470	0	26884	126152	Phytochemical	0.5714286	1.2857143	0.04761905
10	C21 H27 O12 N1	486.1606	486.16135	0.048685778	486.1606	69517	71579	63092	64750	47862	39842	40452	77926	55733	120241	73998	55395	77321	30612	57524	72794	60020	81005	89768	134056	142250	103296	71395	84943	29063	41229	40218	37824	63226	68067	56547	64685	70051	58731	141651	66749	65443	50382	56957	98109	98960	47149	1565	0	0	138170	195765	0	64944	82255	72041	67470	45088	0	84024	58291	32889	57541	64363	63006	73434	76388	73535	63701	34306	52432	50218	59567	91557	54630	72015	62043	62610	72124	53666	62262	0	47923	56486	53940	57017	85572	36242	42254	70741	43098	47500	36592	44330	52934	26258	44435	84691	81138	96264	424	77628	94109	60392	45664	56888	77471	44769	97310	161962	54918	61072	0	38148	78348	Phytochemical	0.5714286	1.2857143	0.04761905
10	C20 H27 O11 N3	486.17184	486.17258	0.054774124	486.17188	11855	8074	8073	8052	4823	5371	8730	11553	7673	7155	0	8558	9116	0	10839	12542	6904	8149	9272	5709	4517	19453	12192	13527	5623	0	6492	0	10577	11215	11580	9674	14703	10276	9915	8158	16657	11596	12056	5547	6589	6613	0	0	0	6701	5304	0	14357	7693	8662	9162	6517	0	10635	3143	4434	13005	14741	4724	0	0	10098	6463	3459	6548	8083	9279	0	0	0	9769	9938	6785	7652	11256	0	7163	7950	0	6633	4572	5922	0	5440	4958	9112	6532	5173	14983	9751	16960	21502	5173	4354	0	11298	10838	3482	3332	3892	11666	9026	8432	0	14725	3187	0	8568	12770	Peptide	0.55	1.35	0.15
12	C25 H27 O9 N1	486.17587	486.17657	-0.002908876	486.17584	20349	12954	9367	10482	7086	5900	6246	9075	10606	53117	32390	4088	10968	7166	5610	6093	8269	9439	10875	50232	58456	20991	5637	8934	4904	45134	4407	30000	7677	5985	9058	5438	9874	6808	90058	5025	4003	4856	10707	35718	43403	5962	0	0	0	30889	26873	0	5580	5900	13372	13373	6407	0	11895	8015	5522	13661	0	7890	0	24478	12230	9545	4331	11545	6889	9056	32704	72552	65549	7364	4901	5165	4843	5704	0	3564	9557	22545	9242	11972	5371	24599	7851	4656	11822	3224	4426	16700	8919	14207	14575	24861	25104	0	14807	12497	8587	6807	5825	7866	4989	8134	0	7759	6095	0	7340	13265	Phytochemical	0.36	1.08	0.04
16	C25 H27 O9 N1	486.17587	486.17654	-0.006779595	486.17584	39772	36877	30617	35525	30168	20915	13275	22087	25919	120186	79840	13184	28855	16046	19459	25179	19710	27069	31408	106327	117606	58128	19673	27486	26515	99686	12464	62252	15868	15801	17550	18165	26252	13279	160475	14420	22224	14874	20202	87650	79185	13331	467	0	0	42590	50765	0	19949	15911	31877	39508	19326	0	26958	22886	13436	24239	23445	17852	29335	50593	33992	25469	13145	30967	20392	19439	95139	130527	135446	18033	18049	14940	14670	18520	0	11148	26015	46943	19798	38882	21322	57361	29377	19184	23411	13606	16444	50138	39668	43331	49322	50649	69561	0	40129	33323	21766	24367	22008	19487	12867	30200	27720	26696	19294	0	20130	36446	Phytochemical	0.36	1.08	0.04
26	C25 H27 O9 N1	486.17587	486.17633	-0.050387785	486.17584	5520	5721	4630	4604	4684	0	2013	0	7767	25255	9942	0	5344	3389	0	0	0	9782	7967	11628	15515	11185	0	0	0	15027	0	6106	0	0	0	0	0	0	21350	0	3706	0	0	10038	8744	0	0	0	0	9633	10159	0	3243	0	6072	3328	3797	0	0	6597	0	0	0	0	0	8003	7425	6778	0	6945	0	2272	20980	22514	28667	3146	0	0	0	0	0	0	2474	6798	4950	5027	0	6860	0	0	3848	4205	0	4479	3427	3944	6889	8069	14378	0	6486	0	3168	5260	0	0	0	0	0	3025	0	0	2626	10440	Phytochemical	0.36	1.08	0.04
18	C25 H27 O9 N1	486.17587	486.17648	-0.033169758	486.17584	58048	53979	42736	52274	37298	23379	16201	25143	39361	170671	101507	17155	51469	26273	20026	27261	23479	40941	56951	153779	147653	87542	31468	29415	25283	137948	20450	85003	23870	21112	21710	25082	34833	24810	190567	22256	41401	21349	20403	112747	94718	27019	589	0	0	63583	62676	0	26029	25971	53065	46448	35505	0	39028	31904	21385	35175	23105	21663	25731	65662	53316	40412	14351	47557	27793	22173	120265	175236	185407	26514	18865	20738	21038	15699	0	15801	34229	56105	25339	45333	24006	82760	33892	26575	31414	26383	25921	42781	44331	43117	60170	62468	94597	0	55253	52921	30409	27617	23270	24622	14221	32933	33656	29055	24003	0	23399	56039	Phytochemical	0.36	1.08	0.04
22	C25 H27 O9 N1	486.17587	486.17645	0.01177237	486.17587	37801	33442	29179	29312	22439	23346	5189	12682	28420	109126	61101	10013	33286	17546	14046	20107	9429	36371	30828	81194	86762	55166	17223	16095	14473	85337	8258	60447	11178	10971	12753	9624	14889	13074	123805	8012	18973	9411	10132	71554	56029	15879	0	0	0	56081	53701	0	18661	9381	30935	32585	23089	0	30158	25677	13844	18216	13417	7239	14230	48135	44691	24860	13306	34278	20565	11986	69565	114089	117700	12685	7938	5256	5635	7215	0	9672	19803	34453	15811	38648	11901	42931	33321	21426	20033	16270	14172	15362	25759	32623	24030	38778	66691	0	30319	29432	22739	22636	19177	19818	9139	15478	39684	23916	23042	0	11008	38026	Phytochemical	0.36	1.08	0.04
24	C25 H27 O9 N1	486.17587	486.17645	-0.005761119	486.17584	14329	13403	7977	10710	12730	7666	2726	5407	16558	51301	30792	4621	15052	7377	4672	8349	2329	16056	13483	31665	34413	21372	7408	6697	4348	33533	1950	25707	4759	3165	2255	4490	5756	5004	55157	3891	5996	3862	2923	30815	22542	3980	0	0	0	27258	28381	0	6004	2925	12088	12397	11545	0	15327	8846	4642	5257	6476	2385	5229	20740	19839	15376	3688	18129	6142	5126	34958	47334	50137	4380	3572	2314	4272	3646	0	4746	6884	18659	6561	17845	3146	18375	12432	7858	9279	7077	5263	9186	6106	11339	11641	20882	29394	0	9823	11648	7206	13306	12363	6791	2560	6679	18150	8059	9303	0	6673	19129	Phytochemical	0.36	1.08	0.04
14	C25 H27 O9 N1	486.17587	486.17657	0.01000825	486.17587	20204	30393	18757	30383	16739	8940	10940	18260	19496	90351	48858	9000	16743	10774	10896	13434	9625	17950	25196	69193	71211	40929	13017	19622	13154	58140	9805	42883	12306	12982	11408	9829	10476	8489	91640	12207	14372	8492	13024	50036	61366	8800	0	0	0	35713	36004	0	11416	11346	18929	22204	12275	0	20737	13179	10146	19377	11710	17117	0	38712	18093	17996	7865	16876	9931	10683	68678	95697	96796	14209	8430	8920	11146	14479	0	10174	15883	27588	13600	19913	11062	32731	20157	10351	17221	7482	9014	24556	26009	14661	32015	30334	43944	0	26595	26391	12479	13647	14900	13694	7269	19487	26654	13877	12084	0	15464	22598	Phytochemical	0.36	1.08	0.04
10	C25 H27 O9 N1	486.17587	486.17664	0.05235318	486.17587	9106	11095	10006	6791	5178	4018	2604	5878	5629	42576	21884	3142	7924	3500	3492	4399	3459	7557	8302	32264	39604	20395	5254	10050	3041	30679	3035	19768	4517	2368	4104	3264	6639	3475	51901	4285	4078	2201	5044	23823	26823	2850	0	0	0	19920	17575	0	0	3872	8697	8548	3894	0	8779	4763	2190	7546	0	5573	0	12468	5043	7397	3016	4514	4240	7895	30431	46330	42908	4253	3646	2764	2767	3592	0	3175	6661	8648	5515	8921	2744	16459	6548	2861	7876	2837	3041	8028	5447	7174	9485	17367	18053	0	9697	11256	3781	6923	6770	4842	2332	6705	0	5744	3656	0	4522	5453	Phytochemical	0.36	1.08	0.04
8	C25 H27 O9 N1	486.17587	486.1767	0.047980227	486.17587	6420	6379	4685	6473	2166	2200	2032	0	3473	21200	10060	1250	5084	3558	1733	1947	1592	2835	3754	18342	24988	9639	1772	2621	1424	13044	1758	5261	0	2739	793	2337	2342	2414	27982	1307	2621	1651	1715	12490	10565	1331	0	0	0	9130	9068	0	1761	2583	4099	7098	3356	0	3694	2030	1635	3480	2116	0	0	4958	4883	5434	0	4373	1828	3950	18401	23482	25674	1413	3162	1799	2732	1423	0	2047	3822	4073	2892	3567	1382	10151	3114	0	2764	1701	1674	2679	0	0	3835	10693	16192	0	6457	3295	3496	3053	3174	0	1597	2831	0	1679	1867	0	2005	2854	Phytochemical	0.36	1.08	0.04
22	C22 H31 O9 N1 S1	486.17923	486.17993	0.10413716	486.1793	5572	6335	4900	4443	5338	3411	3005	5017	5095	12154	4983	2818	4678	0	2704	4605	2434	7052	5979	9220	10714	8633	3228	6166	4851	5882	2405	4274	4116	3055	2652	4280	4826	2094	12044	5217	6854	0	0	8914	3084	4414	0	0	0	6708	2738	0	3345	2986	5170	7213	3872	0	2907	3545	2088	3510	6778	2607	6665	7162	3409	2577	1794	5879	3505	3117	3694	9193	5192	3195	2188	3328	3166	0	0	3445	0	2319	0	0	5959	3680	0	2774	2732	2600	3206	5425	9706	22299	10063	5509	10860	0	0	5728	1664	2528	0	7901	3577	7567	6215	4597	2935	0	3356	4888	Organosulfur	0.4090909	1.4090909	0.045454547
16	C22 H31 O11 N1	486.197	486.19766	0.014754325	486.197	359132	379530	377172	376533	270415	265235	244748	578727	345108	675107	295398	240238	474328	143881	449335	410122	242704	540521	566260	934107	775140	367020	469620	525674	391771	414680	206889	237242	527683	481430	455955	416471	414608	342951	757583	515764	416687	299760	204419	539361	256932	255490	10878	1378	838	703714	463075	1244	420583	510622	381007	387444	257738	2216	540959	277939	170065	344338	479408	215075	521051	351588	382066	322066	140040	295267	251962	186384	392076	567808	363970	490070	451231	604328	278525	382763	323	340071	304052	243427	276560	381443	290047	300039	318117	239480	244013	194365	239718	182268	277108	377648	589734	205145	375963	3660	377455	492414	267053	173739	229759	469119	273275	548344	395004	383984	280874	1550	250984	411102	Lipid	0.5	1.4090909	0.045454547
20	C22 H31 O11 N1	486.197	486.1976	-0.013067997	486.197	216782	204124	214497	201763	177812	194733	109795	280481	217407	417796	151901	117534	336115	104621	223297	197090	99075	323823	320288	491349	439496	218548	232215	248280	189750	217481	79518	117484	256705	221671	210419	195888	214448	198871	419115	219212	237783	156049	85253	315347	129582	134721	8278	1195	466	470586	284725	746	182626	212772	212211	212137	145270	1633	358519	166790	102330	180223	224395	68857	221525	195722	244476	209051	79890	180110	140743	80297	189828	387105	220169	244606	215798	277719	127226	182019	767	187730	161937	99547	148397	224119	124506	188373	175942	125730	130080	100573	133805	75073	160882	217114	241022	112290	167025	1884	223191	256530	171749	112398	125691	210629	123025	267112	283642	183993	154647	1325	119974	291054	Lipid	0.5	1.4090909	0.045454547
12	C22 H31 O11 N1	486.197	486.1977	-0.023735294	486.19696	86414	95450	100966	78147	62752	50939	96408	190091	72757	128493	83598	75605	92526	30918	110846	113266	123531	118447	121740	223150	203480	119336	125790	133298	97321	125826	61067	72555	151430	117983	124810	90370	132253	86962	190852	129798	95092	100325	97685	134690	130875	69188	1955	394	0	172819	171467	0	98231	132841	88730	99009	67308	325	124691	66398	45244	102387	155772	99130	144283	123571	91327	72694	37150	75396	62758	96276	138698	143728	132185	102218	105884	130191	78920	90504	0	97363	89079	80653	92552	98363	97810	78481	96515	61040	81288	47390	69266	96795	64369	87455	138350	68894	84991	876	96941	132369	78536	52586	62533	141323	79827	134546	167167	102134	75532	0	79202	88279	Lipid	0.5	1.4090909	0.045454547
26	C22 H31 O11 N1	486.197	486.19757	-0.011737968	486.197	13065	8993	9489	8449	5273	7919	2254	10183	6897	32062	6487	4102	17577	3145	7302	9629	0	15536	9230	36026	33663	8809	9160	10470	5659	11840	0	2173	8667	6789	9300	6774	9899	10537	26199	8642	9399	4968	3459	12915	8690	0	0	0	0	18544	19853	0	10322	12273	9797	9483	5922	0	8824	0	3756	5737	6589	3935	12230	10436	8003	5861	0	8735	3965	2617	10570	27737	16995	11579	10056	7336	8107	6195	0	7591	6286	0	6225	11661	5285	7854	11826	0	5183	3986	2517	2491	6420	5668	9642	2274	7251	0	8117	8396	4478	3455	0	5226	4159	8886	14504	4879	0	0	6371	14559	Lipid	0.5	1.4090909	0.045454547
14	C22 H31 O11 N1	486.197	486.1977	0.003713569	486.197	244188	211925	214334	225279	145160	146044	177064	351120	197263	355978	202990	162955	252695	91994	274805	293700	197042	265876	274100	493205	454229	256061	284489	347124	238982	272855	130625	186275	305907	304008	222832	264793	270116	199316	402202	316749	225463	192422	151414	272693	205259	163548	5410	811	280	416613	355176	558	231607	312943	216168	210993	140635	1199	290071	156102	99032	231086	365034	165577	331302	225895	191373	193375	97530	165203	143935	136818	313518	331841	234433	237259	237257	376678	193830	227587	0	196248	195810	184419	193537	223790	177272	166866	191893	155850	170605	124751	145955	148271	180805	215183	325717	161140	215368	2262	228306	297111	154893	122709	142013	324502	169010	363744	348172	194412	164128	541	151902	192727	Lipid	0.5	1.4090909	0.045454547
22	C22 H31 O11 N1	486.197	486.19757	-0.0413464	486.19696	85080	75476	83114	93875	75572	63793	35685	100957	92180	158752	59958	52821	109790	33624	83688	72089	37083	137872	97774	180141	174211	67057	86141	98634	68992	85762	30513	43501	93231	75694	78873	65508	74321	0	148288	85017	82958	60273	33243	104826	52005	46646	3121	0	594	153436	129058	0	75096	89191	82525	72304	59379	875	123360	67307	37605	73008	70759	27207	0	75052	93809	82129	35039	0	0	31644	71561	151436	99255	0	0	91835	47454	64769	610	70880	71859	30291	62289	97853	45925	61542	80865	52497	46339	44105	48678	30100	53506	66129	84631	39441	61034	0	72898	88536	71098	53294	49763	76955	51915	82090	119888	65809	66548	0	51007	121423	Lipid	0.5	1.4090909	0.045454547
28	C22 H31 O11 N1	486.197	486.19757	0.002321944	486.197	6285	5357	4842	4662	3739	3268	2701	7763	4167	23979	5826	2720	8290	2599	5051	4689	3190	5284	4958	27274	24067	4490	3545	8158	2397	11148	1960	4958	6226	8187	5325	5147	3700	5363	18660	6675	5161	1785	3192	12940	6745	0	0	0	0	13465	11421	0	4581	6252	6383	6090	3520	0	7287	0	1864	4266	4330	1985	5307	7186	5802	4032	1536	2992	4304	3743	8900	29005	18410	6588	4713	6258	4101	4750	0	3282	3493	2404	1955	8968	2632	7044	3382	1999	3206	2126	2473	2657	2899	3184	6196	833	3767	0	6775	4432	1600	2043	0	2802	3648	7668	8154	4161	1616	0	2982	6504	Lipid	0.5	1.4090909	0.045454547
24	C22 H31 O11 N1	486.197	486.1976	-0.016134286	486.197	27126	26053	24278	26021	21155	24305	9081	32200	24170	70311	14672	14754	44901	9548	23399	29896	8767	47132	32052	64674	57991	20997	21260	32340	17634	27547	8381	9068	21898	23057	21602	21105	24267	19036	52673	25212	21752	15687	9610	32382	16804	11468	0	0	0	59110	45535	0	25500	26509	30100	22505	17518	0	36041	14599	11815	19954	16200	9818	22519	26946	32769	26648	8744	22420	11517	10075	24502	63454	28399	26843	29819	28702	11521	13789	0	19845	21179	10716	23613	30168	12954	19519	26644	13478	16308	12454	14696	4914	17224	13077	24201	11911	19805	0	28889	24005	17699	18627	14861	20985	13628	24014	35564	17361	19926	0	14267	42653	Lipid	0.5	1.4090909	0.045454547
8	C22 H31 O11 N1	486.197	486.1978	0.022800703	486.197	24187	23590	20422	19041	11136	13068	11248	28101	13635	32005	14591	14402	19495	7423	20117	25351	17507	14178	22666	34383	30324	28988	20840	26970	11160	12170	14208	9349	27549	27888	19296	27326	23376	17785	36844	23126	24764	14045	19279	26300	19066	12754	0	0	0	31730	30048	0	29523	25770	20933	24411	10908	0	17407	11924	7513	20404	20478	16561	25446	12873	16472	19272	6709	12401	10161	16274	17999	12477	17249	19179	23037	26275	14294	22904	0	15127	16507	10054	14631	14452	15325	13078	15937	7636	15002	8981	11474	18929	0	26317	28709	15475	19757	0	23111	24549	8846	11247	12552	26378	13758	29294	10334	18277	14061	0	14275	18999	Lipid	0.5	1.4090909	0.045454547
24	C26 H31 O8 N1	486.21225	486.2128	-0.039407097	486.21222	25753	27075	25704	33127	30506	17193	6990	16756	24782	67687	49809	8720	33222	19731	16314	22318	10979	29448	35577	64900	68730	36500	17422	26913	19003	99901	7788	48614	14931	14249	15180	16385	19661	15653	71322	17504	24857	8814	15278	57752	54110	14528	0	0	0	39478	37264	0	14425	15381	29066	28297	19480	0	26248	19716	9545	21913	17429	11891	21531	42659	31946	18557	6804	31333	21878	12984	79403	109825	104878	19033	15333	12588	7629	13762	0	12080	17893	20534	15643	19199	11608	41375	27712	11455	23299	13170	14928	27299	24055	27997	38394	29976	36833	0	26191	27419	15579	20710	15458	21494	9996	23579	23548	20247	15952	0	15100	30911	Phytochemical	0.30769232	1.1923077	0.038461536
28	C26 H31 O8 N1	486.21225	486.2128	-0.017006606	486.21225	2928	2525	3434	3435	2338	4184	799	3298	4395	6291	5358	0	3614	4174	2570	2152	2746	7072	10141	5466	5113	7732	3825	6136	7158	9688	1852	5423	3482	3396	2513	3440	6869	3303	6656	0	16156	1938	2312	4097	6174	3710	0	0	0	2546	4958	0	3278	4746	3859	2303	3424	0	2478	0	0	4672	1554	1107	3512	2481	2796	2858	1122	4311	3515	2458	16362	13725	23256	2920	1561	0	0	1938	0	1780	4074	3278	1577	1219	2630	4768	2394	2049	5219	2079	3985	5544	5640	5686	16778	3058	3476	0	4626	5355	2412	3168	2128	3624	1589	4839	0	7053	0	0	1204	2938	Phytochemical	0.30769232	1.1923077	0.038461536
26	C26 H31 O8 N1	486.21225	486.2128	-0.07431279	486.21222	13131	10160	9217	9272	9253	10670	0	7278	8693	21971	15786	0	10770	7531	0	7759	0	17444	20338	16516	21293	16497	10363	13395	10114	32293	2636	18191	7101	0	10221	6260	15434	6787	20394	5536	21113	3973	5094	16236	16987	10899	0	0	0	10296	16032	0	7327	0	13220	8118	10389	0	16930	9693	4386	15663	4853	0	10344	8341	9763	9159	0	10666	5556	5003	40959	39385	51422	7347	5256	0	0	4635	0	3991	9429	5914	8456	5572	6499	12106	8207	0	8662	8825	7716	9540	11042	12460	27389	8438	12337	0	11241	16133	6134	7850	8110	8402	0	8733	0	17986	6246	0	6909	11869	Phytochemical	0.30769232	1.1923077	0.038461536
8	C26 H31 O8 N1	486.21225	486.21307	-0.02078872	486.21222	5876	6833	3957	3985	2669	1863	2527	6118	1908	14853	6273	2528	1764	1287	1329	2960	2067	1252	2334	21610	20104	8979	1980	4474	3071	11656	1712	5283	3099	1601	1977	2612	4165	3748	12212	4343	5094	1108	2992	10159	10795	1813	0	0	0	7891	9257	0	4303	3491	4528	4949	2108	0	3316	1339	1542	4056	0	0	5657	5090	1777	2129	0	2564	2659	3364	8667	19462	19430	3578	2228	2710	2613	2889	0	2989	5039	0	2557	1321	1178	7419	2100	0	2447	1974	2561	8461	0	0	9482	5343	10204	0	5612	4699	0	656	0	3022	1936	4419	0	4397	2220	0	1863	1716	Phytochemical	0.30769232	1.1923077	0.038461536
16	C26 H31 O8 N1	486.21225	486.2129	-0.094052635	486.2122	31769	25706	38900	34880	18798	12396	13299	24690	15982	57308	45593	14895	14335	8590	21918	31380	28013	18368	22836	74966	75806	37764	17124	30212	17699	75730	13522	33965	20085	19304	21453	23711	25280	22440	72155	19583	29328	16788	31743	50488	61695	13921	0	0	0	30359	33637	0	21820	19961	30112	31898	15171	0	13734	13211	8287	28748	11439	18913	25306	29092	18646	10024	8785	20702	14330	26789	62544	82870	107729	19356	16696	22274	27886	18897	0	11620	23394	34147	21342	17429	17727	40974	17183	6858	27728	18731	16264	74239	41220	32118	62006	25739	50107	0	34298	29666	16165	9758	9687	31035	10351	23371	19026	22762	12289	0	24465	13964	Phytochemical	0.30769232	1.1923077	0.038461536
10	C26 H31 O8 N1	486.21225	486.21298	0.024738833	486.21225	8702	8863	8612	7348	4971	4712	3116	6809	5060	28345	12512	3192	3078	4878	4045	7305	2715	3424	5194	33144	29782	10466	3099	7630	4602	24929	2936	13023	4858	3649	5447	3948	6830	4929	31513	5339	5796	2323	4289	20843	12817	2882	0	0	0	7211	9339	0	6129	2573	8714	6745	4359	0	4708	1555	1853	5891	0	1941	0	9030	3217	4350	1179	3217	2834	7083	21388	34436	31563	5152	4452	3832	3838	5530	0	2455	4260	6224	4030	3390	1935	10248	2433	3919	4907	2886	4315	13116	8905	3385	12748	7707	16542	0	13437	5446	2254	1626	3179	7159	3529	8594	0	5843	2971	0	4800	2512	Phytochemical	0.30769232	1.1923077	0.038461536
12	C26 H31 O8 N1	486.21225	486.21295	-0.047574483	486.21222	8060	10073	11223	8746	5340	5456	4852	10355	6328	29960	22554	4669	4207	4023	7552	8292	5854	5065	8472	47357	43508	19985	5995	7649	6161	38683	3547	21183	10545	3578	6851	4887	13666	6862	44368	5309	7753	5328	8140	31847	30683	4557	0	0	0	14298	16045	0	8908	8797	8881	7122	7239	0	6818	2727	3524	10443	0	0	0	13898	7651	3727	3233	6349	6826	7603	18092	54326	45219	4721	8486	4096	7628	4524	0	4596	9343	0	5305	5120	4282	18230	6495	3307	9382	3613	5663	16182	7370	10087	20074	10108	15926	0	10864	11403	3993	4142	3242	11224	4860	11739	0	9030	4636	0	7924	4052	Phytochemical	0.30769232	1.1923077	0.038461536
14	C26 H31 O8 N1	486.21225	486.21292	-0.015959349	486.21225	16836	19105	14014	16826	7218	7026	11391	11146	8561	49883	26389	8399	5440	6228	7110	19109	15394	6280	10710	46411	51959	32918	11949	17793	13083	44651	11895	28916	10363	11444	8601	9186	16271	9156	53631	15626	16679	11511	18298	31546	28936	10893	0	0	0	20217	18494	0	16133	12260	16537	12139	9095	0	12199	4897	8771	15159	11562	8376	0	19080	9182	5762	6101	8340	6849	16833	32164	65387	46317	9861	9198	8594	8901	14350	0	6674	17275	19981	9856	11398	9901	19418	7630	4488	14600	7412	7167	34323	18376	20568	27848	18064	25061	0	17465	19999	5266	7579	3529	15292	6834	19328	0	17157	4688	0	9235	7887	Phytochemical	0.30769232	1.1923077	0.038461536
8	C25 H31 O7 N3	486.22348	486.22424	0.041899726	486.2235	12097	8476	7080	10714	3339	0	5696	10060	2047	8129	5538	4877	3572	2922	7137	9022	9067	3007	5841	15549	9845	11914	8491	19798	11101	2897	5867	4180	11007	9405	10013	0	15330	8768	14040	0	14034	7574	9584	9976	6981	5686	0	0	0	11242	7111	0	13581	10295	10072	8705	3062	0	3709	9305	2668	10931	0	2413	10320	7319	912	2915	3364	2068	4206	11806	0	8030	7130	0	10895	0	9193	9815	0	5884	10404	4811	6026	2996	4349	5516	1565	0	6590	4388	5424	12944	18561	8777	23781	5703	11409	0	8376	11006	1820	9693	9873	12869	4725	10354	0	12353	2700	0	10295	2242	Phytochemical	0.28	1.24	0.12
26	C23 H35 O10 N1	486.23337	486.23395	-0.04972208	486.23334	9750	7632	6378	8906	5402	5971	2609	10903	7461	22130	4110	4333	9832	0	7258	7440	0	11327	12426	20401	24347	8730	0	5457	0	6239	0	7001	9806	11518	7636	6614	6330	8026	20955	9683	8555	7131	2817	9535	3525	0	0	0	0	10430	0	0	8469	0	8769	8329	4705	0	11854	0	3267	5764	4108	0	8265	5162	11355	9264	0	7541	3261	3783	6941	23748	8788	10923	8729	7967	7330	7321	0	5342	5492	0	6113	0	5394	4544	6031	0	2377	0	3199	4465	8715	8092	8096	2836	5376	0	6373	7009	3233	3903	0	4470	4046	7611	0	6891	4356	0	3660	13686	Lipid	0.4347826	1.5217391	0.04347826
12	C23 H35 O10 N1	486.23337	486.23407	-0.022797203	486.23337	21918	18514	21064	18934	11643	14086	24990	59453	14183	22483	11665	22748	20096	7127	32206	31861	28158	20499	26526	34874	41801	29044	30396	41301	29586	20858	13179	14275	47701	29845	34373	26747	41353	20745	39589	35500	29327	25212	27927	25282	18425	18633	270	0	0	28600	27650	0	20240	32939	22171	21434	14235	0	29123	14384	10159	34035	27427	28463	20350	15233	14158	17168	12232	15319	14885	25173	25157	21339	22011	25241	32532	39055	26256	25225	0	29851	24654	0	27589	25086	28782	13519	17907	12870	23508	7374	17938	26250	22968	27540	38764	15353	18487	0	24348	34264	12289	14817	18561	32294	26427	34906	0	26271	18168	0	22149	17801	Lipid	0.4347826	1.5217391	0.04347826
10	C23 H35 O10 N1	486.23337	486.23416	0.08777153	486.23343	15565	10904	13865	10052	7102	7347	11424	17600	9450	12786	5434	7832	9383	2148	11358	13653	15278	11803	11176	18928	15673	19014	15073	24117	14436	10007	10452	8495	21526	17101	14962	20923	25128	12535	21584	20972	21448	12686	14793	15685	10372	7975	0	0	0	15259	9423	0	17581	15976	11575	13856	6118	0	14477	6615	4289	16281	9655	6922	18054	8326	8625	7806	3293	8235	7671	13798	0	9212	5326	16089	14154	21897	9792	17214	0	11870	11855	7297	11217	6170	10812	7963	9561	6947	9633	5512	7442	8059	16415	23067	22267	6399	15752	0	12689	13653	6529	6175	6230	20778	11543	25430	0	12390	5990	0	7782	13030	Lipid	0.4347826	1.5217391	0.04347826
16	C23 H35 O10 N1	486.23337	486.234	-0.046567813	486.23334	154396	141898	159063	140492	90166	90431	113654	221262	119298	157700	89949	111042	143833	49353	199312	203361	124859	164561	191620	259645	208268	125708	197991	227738	179223	124567	101848	90441	217714	201514	178439	184663	179662	131487	173235	233158	189657	123050	117219	139662	93884	107931	2992	399	0	187359	118178	0	164365	208180	142826	137486	98907	805	183184	109856	71838	162426	166007	102560	237015	99324	122525	109359	65707	124718	98452	95269	119008	168636	105929	176797	180647	238180	143263	184190	0	137674	143624	86450	125154	98328	132206	98322	124412	105335	124887	84548	97316	110906	137845	176693	261599	66718	132131	1751	149268	184708	87539	83789	101990	200150	111106	208939	106351	166711	102671	408	122207	139930	Lipid	0.4347826	1.5217391	0.04347826
12	C27 H35 O7 N1	486.24863	486.24936	0.0527511	486.24866	3015	3999	4411	5464	1820	3090	3423	5590	1052	10355	5673	1532	0	820	4711	6983	4804	1368	1752	18354	19872	4492	1666	5549	3379	19179	2899	0	3604	5026	4584	6726	7747	4834	19034	4157	8280	2278	4898	9750	5633	3889	0	0	0	3206	0	0	4511	5345	5641	4956	2856	0	2045	0	1560	6954	0	0	0	4601	0	1290	1364	1769	3240	0	0	23674	20740	4891	5047	4156	4529	4191	0	2717	2658	0	2194	0	0	4809	0	950	3959	2968	1286	6759	8309	0	8576	2742	8073	0	5027	4142	0	0	0	5047	2560	2596	0	5460	0	0	2279	2306	Phytochemical	0.25925925	1.2962962	0.037037037
22	C27 H35 O7 N1	486.24863	486.2492	-0.06033896	486.2486	50887	53554	49310	58064	50615	28858	28244	56277	33571	72000	71682	33586	31033	25348	36224	70391	50528	37131	47861	114728	105952	60788	48713	63141	53639	159992	29064	68140	49768	48863	45925	55490	66131	52591	77787	61112	61237	32812	54164	84056	90186	38416	0	0	0	55366	53030	0	56725	46651	51834	58804	41498	0	37048	30646	25517	62582	35527	40285	66673	49581	32203	38841	20251	36287	37235	47022	143244	160965	191643	51266	41658	38125	34563	39695	0	34694	45382	40174	33831	24909	35780	54180	38870	32734	56668	42686	43649	68054	67497	70527	90794	44788	69057	0	48332	54833	24688	27686	33442	66931	30587	63031	28656	64036	29472	0	42481	36030	Phytochemical	0.25925925	1.2962962	0.037037037
24	C27 H35 O7 N1	486.24863	486.24918	-0.045694783	486.2486	50726	49652	48740	45492	40478	30214	15103	43324	30804	74770	70035	24355	37528	28315	30554	46524	30846	39916	53639	98358	90250	49574	30138	51928	38691	156999	17239	73166	39458	38774	32819	37641	46098	44022	81327	39760	51466	25466	35208	79810	71564	33463	0	0	0	51150	42009	0	38461	33382	44784	42561	37690	0	40778	28413	19592	52011	31640	22436	54786	48784	36055	28095	18001	39264	36644	34997	144999	146172	164537	41071	34074	29190	24732	32982	0	26615	34367	31061	30259	32188	29097	57886	31348	21891	50885	31060	35269	54575	49190	54457	83266	36491	44438	0	44542	46603	27431	33506	36447	50438	22160	48704	34471	40043	31962	0	33576	40194	Phytochemical	0.25925925	1.2962962	0.037037037
16	C27 H35 O7 N1	486.24863	486.24927	-0.034698773	486.24863	11568	9647	10154	9533	3946	2580	5930	11403	2407	14547	11999	4483	0	2567	6401	10214	9937	2771	8088	30940	16978	8414	5926	9782	9194	29832	6343	15165	8979	9516	4979	11410	9537	7279	18599	9375	11551	5711	15118	14828	13514	3363	0	0	0	5852	4894	0	8857	8440	6383	8598	3405	0	2732	1619	3897	12198	2509	6069	6644	4552	1752	1495	2666	3182	5485	13471	17304	28840	27225	5288	8639	8475	11156	7733	0	6322	8188	8620	6591	2015	5937	9512	2409	2127	10887	5626	5019	0	14402	7178	0	4650	11601	0	8172	9497	2979	1793	2249	9653	7960	8113	0	0	4492	0	4212	3835	Phytochemical	0.25925925	1.2962962	0.037037037
14	C27 H35 O7 N1	486.24863	486.2493	0.014216423	486.24863	7960	3083	6133	6398	1154	2531	4034	5352	1205	11854	9513	2401	1831	1369	1450	6382	6302	1349	2188	18668	21709	0	3146	7304	5128	23184	2112	12003	4895	3517	2887	8919	8096	4595	14564	4624	4913	5158	6890	13313	7132	3482	0	0	0	5395	0	0	5433	4117	6208	3904	2622	0	0	1526	2331	6948	0	0	0	3960	1831	2274	1756	2017	2423	10962	0	28066	24440	6058	4903	4351	6806	5358	0	3280	4472	0	1168	1669	0	7636	0	0	6621	2202	5238	9096	9914	3964	13978	4151	5520	0	6495	4889	1350	1284	1159	4738	5477	2746	0	3911	0	0	4801	0	Phytochemical	0.25925925	1.2962962	0.037037037
26	C27 H35 O7 N1	486.24863	486.24924	-0.06026638	486.2486	17733	17721	15616	15819	16414	6454	4989	13683	12524	21311	30483	7277	18248	9940	10241	12430	11371	16708	25353	44409	36459	16892	9879	22066	17384	67866	3567	34673	14030	8319	15603	10958	21571	16333	26539	13804	19173	7822	11973	31172	33817	11203	0	0	0	18159	15016	0	15843	12121	18208	14000	14850	0	15818	16775	7768	18656	14072	6215	22838	20427	15132	13400	5979	15849	14203	8652	75851	58815	77155	13876	14032	10990	0	10243	0	8059	17766	10673	11143	9264	12728	23758	22876	7713	20834	12572	11923	21314	14469	21419	29422	12661	15873	0	13666	19228	13386	19822	17285	18503	7556	17970	10013	17160	14633	0	12669	13260	Phytochemical	0.25925925	1.2962962	0.037037037
8	C20 H39 O12 N1	486.25452	486.25555	-0.04278933	486.2545	2876	1990	1903	0	6409	2005	0	0	0	0	3637	0	0	2118	0	0	0	0	0	0	0	0	0	0	692	0	0	27880	0	0	0	0	0	0	0	0	0	0	0	0	0	2470	0	0	0	0	0	0	0	0	1459	2203	2609	0	1447	528	1620	0	0	0	0	0	0	3937	7675	5445	3849	0	0	0	0	0	0	0	0	0	0	0	0	98779	0	0	0	0	5105	0	0	0	0	0	225225	109487	1584	9572	3124	0	1239	1830	0	0	0	0	0	0	0	0	5599	0	0	0	Lipid	0.6	1.95	0.05
6	C21 H35 O8 N5	486.25583	486.2568	0.13803975	486.25592	5537	5594	0	5795	3446	7769	0	0	0	0	7929	0	1215	2309	593	0	1014	0	898	0	0	0	0	0	0	0	0	54816	684	0	0	0	806	0	0	0	0	451	0	0	0	4136	0	0	0	0	0	0	0	0	6409	5617	3234	0	884	0	2452	752	0	0	1007	0	957	1980	7821	2743	9027	1587	0	0	0	0	0	0	0	0	0	0	0	254293	0	0	0	0	4278	0	0	678	993	0	523333	199563	0	32816	4478	0	6793	5958	489	0	1347	0	0	0	0	906	5503	0	0	833	Peptide	0.3809524	1.6666666	0.23809524
2	C21 H35 O8 N5	486.25583	486.25696	0.34743112	486.256	0	0	883	0	0	0	0	0	0	0	0	0	408	0	0	0	477	419	0	0	0	0	334	0	320	0	0	6595	591	0	0	0	966	882	0	554	0	267	772	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	332	0	548	0	724	0	0	0	863	544	527	0	0	0	0	361	67660	0	0	0	0	0	0	381	412	0	0	14601	8177	0	3619	0	0	986	0	0	0	0	0	0	0	0	752	0	0	0	0	Peptide	0.3809524	1.6666666	0.23809524
4	C21 H35 O8 N5	486.25583	486.25677	0.10522891	486.2559	3820	4586	5902	5362	0	8188	0	0	0	0	5612	0	0	0	806	842	0	568	0	0	0	0	0	335	0	0	0	44884	0	0	0	0	0	0	0	0	0	0	0	0	0	1126	0	0	0	0	0	0	0	0	5368	5644	0	0	452	0	0	0	0	0	0	0	0	0	0	970	0	0	0	0	0	0	0	0	0	0	0	0	0	415766	0	0	0	0	0	0	0	0	0	1592	474612	147286	3564	18532	3094	0	4936	6010	0	0	0	0	0	0	0	0	0	0	0	576	Peptide	0.3809524	1.6666666	0.23809524
10	C21 H35 O8 N5	486.25583	486.25635	0.11851221	486.2559	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1428	0	0	0	0	0	10586	0	0	0	0	0	0	0	0	1303	0	0	0	0	0	0	499	0	0	0	570	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1214	0	0	0	0	0	0	0	0	0	0	0	0	0	23658	0	0	0	0	0	0	0	0	0	0	54756	12650	0	2033	1425	0	0	0	0	0	0	0	0	0	0	0	0	626	0	0	Peptide	0.3809524	1.6666666	0.23809524
16	C24 H39 O9 N1	486.26974	486.27045	-0.034452766	486.26974	11152	14687	13099	17959	5180	5423	18280	24521	6259	4459	4367	12416	7406	3629	10614	27697	24980	7905	11356	13991	9071	6420	15272	20845	16463	6425	15973	3332	25721	24539	16813	16177	24841	12262	5987	26078	18337	13965	17441	4311	3252	13597	487	0	0	8128	6921	0	21458	21355	15094	11525	6574	0	14234	10575	8783	19223	8969	7524	22962	2713	8663	4544	9042	5219	12424	24913	6943	5405	4198	12302	14408	30749	26384	23975	0	9949	14247	6623	15760	4987	13582	8697	9850	9192	21537	8294	8641	0	13542	10182	0	5093	9164	0	9578	18992	7592	9391	11798	28729	14195	17012	7672	19044	9610	0	11775	5726	Lipid	0.375	1.625	0.041666668
6	C21 H43 O11 N1	486.2909	486.29193	0.2195438	486.291	1414	2499	2359	2692	641	3867	0	0	797	0	1620	0	605	956	0	0	0	2388	0	0	0	0	0	0	0	0	0	28682	0	0	0	0	0	0	0	0	0	0	0	0	0	3044	0	0	0	0	0	0	0	0	1769	2357	963	0	5429	0	3659	0	0	0	0	0	0	2041	3372	2365	8867	0	0	0	0	0	0	0	0	0	0	0	0	256986	0	0	0	0	1669	2190	0	0	0	0	196078	59199	0	16227	0	0	1602	0	439	0	0	0	0	0	0	0	1055	0	0	0	Lipid	0.52380955	2.047619	0.04761905
16	C21 H43 O11 N1	486.2909	486.2915	0.013002917	486.2909	5191	3886	0	4820	1569	1654	0	0	0	0	4085	2842	0	2491	2149	1721	2816	6763	0	0	0	2353	1431	0	2434	1563	17335	5634	0	2087	1546	0	2360	1662	2749	0	0	3415	0	2688	4418	1980	7344	9474	8717	2232	6013	8553	1769	2705	2749	3013	1638	7707	0	2562	4849	3115	14148	5760	0	5627	1737	0	8263	2012	3308	0	7248	2465	2706	0	2730	2349	0	1963	9801	2665	1677	5510	2113	2417	2092	1341	3296	5122	1575	3091	1364	0	0	4218	0	1791	0	6943	3885	4226	4563	2554	1482	0	2008	13280	185247	0	1288	7898	1486	0	Lipid	0.52380955	2.047619	0.04761905
10	C22 H39 O7 N5	486.29224	486.29306	0.24126299	486.29233	1736	0	991	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10500	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1327	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	112872	0	0	0	0	0	0	0	0	0	0	159697	26431	0	8972	0	0	0	1254	0	1183	1409	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.7727273	0.22727273
8	C22 H39 O7 N5	486.29224	486.29315	0.28289568	486.29236	3761	3558	3557	3291	0	3821	0	0	0	0	1770	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	60235	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2489	3857	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	324930	0	0	0	0	0	0	0	0	0	0	433385	105769	0	22016	1086	0	3068	2790	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.7727273	0.22727273
4	C22 H39 O7 N5	486.29224	486.29324	0.3532574	486.2924	748	0	0	0	0	633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6689	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	639	0	0	0	0	0	0	0	0	0	0	282	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	90736	0	0	0	0	0	0	0	0	0	0	78400	16318	0	2838	0	0	0	683	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.7727273	0.22727273
22	C25 H43 O8 N1	486.30615	486.30667	-0.07438113	486.30612	4833	7653	4655	7029	7403	2996	49161	7531	7282	3293	0	4189	9855	5682	7317	10031	6138	8787	10177	0	0	0	5095	5790	6492	4760	37954	3076	11392	7832	9228	7694	12694	7918	3305	14844	6734	4346	6849	1715	0	7229	0	0	0	2106	1273	0	11408	6849	7632	7161	5566	0	12814	6829	3077	7462	4537	2753	8958	1672	6817	3487	4404	11407	10156	3740	0	0	0	7526	11550	15094	6900	11563	0	6300	5017	2753	3918	1475	38352	25041	5711	7267	5696	3936	4411	2862	12346	7750	6117	0	0	0	9176	7577	3379	5538	6939	16928	5044	6522	4311	5081	6744	0	6700	6427	Lipid	0.32	1.72	0.04
24	C25 H43 O8 N1	486.30615	486.30667	-0.1062803	486.3061	10703	10122	15637	13886	16262	10220	75782	9684	10509	6890	3051	3466	16719	15969	8823	9936	7178	20418	33043	10214	4440	7393	8882	8350	9235	4643	49465	10426	16047	12970	12658	11996	17166	12719	8475	15942	24492	7791	6165	6652	2971	9576	0	0	0	5039	1573	0	17978	7545	9543	12416	12404	0	19557	8960	6453	14605	10591	2505	12210	2698	16104	12329	8086	24183	29048	8110	0	2902	2443	9382	11313	14745	7275	13216	0	7066	7095	5386	4617	2493	42229	25906	8420	6881	12567	6356	14103	5799	34894	28653	10652	2702	3483	0	15654	12376	7487	7689	10803	12891	5545	13537	14032	11377	7817	0	4740	14750	Lipid	0.32	1.72	0.04
20	C22 H47 O10 N1	486.32727	486.32785	-0.11984057	486.3272	0	0	0	0	1762	0	0	0	0	0	0	0	0	0	0	0	4222	0	0	0	0	0	0	0	0	7472	0	1611	0	0	0	0	0	0	0	0	0	0	6961	0	4862	0	1842	0	0	0	6927	719	0	0	1559	0	0	2618	0	0	2283	0	0	4715	0	0	0	0	26908	11379	22127	4884	2545	0	5520	0	0	0	0	0	435	0	0	3943	0	0	0	0	1556	13822	0	2523	0	0	5005	3927	0	0	0	0	0	0	0	0	0	0	0	0	8557	0	0	0	0	0	Lipid	0.45454547	2.1363637	0.045454547
10	C23 H43 O6 N5	486.3286	486.32913	-0.07042753	486.32858	0	0	0	0	0	1546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41061	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	81434	0	0	0	0	0	0	0	0	0	0	110578	54010	0	1626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.8695652	0.2173913
12	C23 H43 O6 N5	486.3286	486.329	-0.15698557	486.32852	0	0	0	0	0	2967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37895	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1495	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	71398	0	0	0	0	0	0	0	0	0	0	105777	57164	0	4681	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.8695652	0.2173913
8	C23 H43 O6 N5	486.3286	486.32898	0.026093233	486.3286	0	0	0	0	0	1357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15869	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43704	0	0	0	0	0	0	0	0	0	0	26796	7735	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26086956	1.8695652	0.2173913
26	C26 H47 O7 N1	486.34253	486.34247	-0.18548673	486.34244	0	0	0	0	0	0	82060	0	0	0	0	0	0	9504	0	0	0	0	0	0	0	0	0	0	0	0	58081	3193	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2726	0	0	0	0	0	5935	4212	3829	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9789	6836	0	0	0	0	0	0	4948	2565	0	0	0	0	0	0	0	1991	0	0	0	0	0	0	0	0	0	0	Lipid	0.26923078	1.8076923	0.038461536
24	C26 H47 O7 N1	486.34253	486.3424	-0.22255543	486.3424	0	1402	1692	0	0	0	55101	0	0	0	0	4365	0	4106	0	0	0	0	0	0	0	0	0	0	0	0	47093	1494	0	0	0	0	0	0	0	0	0	0	1355	0	0	0	0	0	0	0	1455	0	1031	0	2165	0	0	0	0	0	0	0	0	1949	0	0	0	0	2353	3179	1260	0	0	0	0	0	0	0	0	1058	0	3533	0	0	0	997	8643	4785	0	0	0	0	0	0	3430	1654	0	0	0	0	0	1290	0	0	0	0	2352	0	0	0	0	0	0	0	Lipid	0.26923078	1.8076923	0.038461536
26	C22 H14 O13	487.05072	487.05118	0.06373447	487.05075	7843	4874	8433	6610	19774	8969	0	0	21151	4015	0	0	40410	7641	0	0	0	30021	19934	0	0	12505	0	0	0	0	1598	0	0	0	0	0	1560	0	4225	0	0	3384	0	0	2738	0	0	0	0	0	0	0	0	0	4704	5072	10673	0	22178	19379	7111	1639	0	0	0	0	43443	22798	3992	22243	5898	0	0	0	0	0	0	0	0	0	0	0	15593	0	12970	2977	0	0	33245	10745	7936	4702	3995	0	0	0	0	4780	8485	0	7213	0	8326	22403	26202	0	0	0	0	0	15780	0	2766	39519	Phytochemical	0.59090906	0.6363636	0.0
28	C22 H14 O13	487.05072	487.05133	0.06836205	487.05075	7665	7447	8397	8301	19579	8884	2897	0	18172	2642	1051	2701	39921	9995	3570	2180	0	30599	26246	0	5556	7897	6568	2778	0	0	3017	0	0	0	1007	0	3159	0	7534	0	3453	3423	1166	1745	2885	2689	0	0	0	3304	3442	1546	0	0	7362	6988	12308	0	24524	17167	7290	2249	1261	0	2868	2193	37715	19302	4319	21160	5075	0	0	0	1957	0	0	0	0	0	0	1841	15179	5000	13692	1856	1053	0	33594	12732	7983	2980	6953	2745	946	0	4489	9924	11957	0	7488	7444	10714	21916	25830	1943	1657	0	2363	2593	13877	0	2193	36374	Phytochemical	0.59090906	0.6363636	0.0
20	C22 H14 O13	487.05072	487.05142	0.099907964	487.05075	10608	10442	12170	7894	40746	6174	0	0	36266	6976	3222	2196	57794	8710	4674	0	0	32810	32312	0	3960	24539	0	4364	0	0	2526	0	0	0	0	0	0	0	9880	0	3138	2948	0	3850	4682	5982	0	0	0	0	12932	2980	0	0	13808	10282	22608	0	29566	36218	11272	3626	0	0	0	2576	88478	40614	14470	35242	11128	0	0	0	0	0	0	0	0	0	0	0	16300	12416	10930	4340	0	0	60994	17440	7858	8432	11842	5134	0	0	0	32770	9664	0	8738	4420	38126	49878	55460	4566	0	0	11084	0	35752	0	0	63950	Phytochemical	0.59090906	0.6363636	0.0
22	C22 H14 O13	487.05072	487.05136	0.1708666	487.0508	5896	6319	3455	5340	19201	8013	1635	0	19276	4049	0	2291	29723	7953	3944	0	0	19296	14481	0	2176	9937	6852	0	0	0	1430	0	0	0	1110	0	1668	1117	1990	0	0	3873	0	0	2272	2464	0	0	0	0	4565	0	0	0	5239	6793	6907	0	14019	18588	7608	0	0	0	1765	2272	32478	22644	3981	20944	6376	0	0	0	0	0	0	0	0	0	383	1411	7731	5280	9424	2709	0	0	24270	7505	7434	4411	3445	3574	0	0	2325	15771	9919	0	0	4390	15133	21159	27830	0	0	0	4459	0	18868	0	1811	33703	Phytochemical	0.59090906	0.6363636	0.0
16	C22 H14 O13	487.05072	487.05164	0.114842035	487.05078	0	0	2314	0	6876	1433	0	0	17806	0	0	926	13417	0	0	0	0	2331	8725	0	2457	6995	1778	0	0	0	0	0	0	0	0	0	0	0	2817	0	0	0	0	0	2732	1328	0	0	0	0	5996	535	0	0	2667	0	7235	0	7089	11014	3408	0	0	0	0	2034	21394	7375	3694	10303	2859	0	0	0	0	0	0	0	0	0	0	0	3323	0	1243	2367	0	0	13314	3005	0	3051	0	0	0	0	0	12502	1856	0	1670	0	10125	16866	14738	0	0	0	0	0	8586	0	0	11820	Phytochemical	0.59090906	0.6363636	0.0
18	C22 H14 O13	487.05072	487.0514	0.036807414	487.05072	6034	2496	2173	3933	15352	2719	0	0	13757	2847	0	1228	28903	5789	0	0	0	9726	9242	0	0	6158	2581	0	0	0	0	0	0	0	0	0	0	0	3804	0	0	1190	0	0	0	1177	689	0	0	3553	7797	594	0	0	3278	1638	5648	0	13930	16937	7525	0	0	985	0	2018	38442	16107	5762	19538	4195	0	0	0	0	0	0	0	0	0	0	0	4930	6586	2130	2848	0	0	22505	6742	3113	4714	3241	0	0	0	0	17667	3736	0	6273	4501	14961	29052	19109	0	0	0	5341	0	14036	0	0	25583	Phytochemical	0.59090906	0.6363636	0.0
24	C22 H14 O13	487.05072	487.0514	0.17790082	487.0508	3800	6372	6236	6538	19133	6674	2802	0	16969	3965	0	1014	29955	7106	4129	1811	0	26076	17291	2412	1452	9511	6122	0	0	0	0	0	0	0	0	0	1967	0	4458	0	1323	4242	2214	0	2529	2555	0	0	0	2081	4597	0	989	0	6277	6280	8270	0	19246	16226	4042	1178	1587	846	1328	1004	35773	17299	6286	20783	2596	0	0	0	0	0	0	0	0	0	0	1463	8882	6712	9327	1294	865	0	31552	8705	7501	0	4754	0	0	0	2272	10464	8789	0	6345	5285	10915	20581	25962	1274	1332	0	4630	1562	13184	0	1475	39730	Phytochemical	0.59090906	0.6363636	0.0
14	C23 H18 O12	487.0871	487.08783	0.06287871	487.08713	13202	23664	19711	23458	36260	11373	3107	1856	34183	45213	33529	4385	43033	9389	4288	4416	0	29042	30141	26161	43879	62639	10730	5252	2909	6316	3916	12216	1444	0	3488	0	7550	0	70514	0	5634	7383	1391	12436	26688	7999	0	0	0	25986	51144	0	0	1169	25818	16691	16882	0	30956	26419	14055	5997	5601	6171	0	14318	61007	31638	10623	37809	9657	2576	21409	11635	25991	1899	1186	0	2401	1140	0	3904	19431	32577	13439	31810	2434	7951	49564	18807	12473	9627	11179	5806	4243	5216	8034	72694	58886	0	19348	15482	31284	51894	43469	3869	4228	2760	45053	3354	26933	0	2913	45936	Phytochemical	0.5217391	0.7826087	0.0
18	C23 H18 O12	487.0871	487.0878	0.10467875	487.08716	40690	36555	31052	28817	57589	28895	2978	3055	71144	83668	42197	4591	89909	27370	14608	7808	0	64824	62050	47799	49824	90789	16787	9238	5623	10568	6334	14921	3782	2729	1933	3345	9827	0	102126	0	10937	14778	4539	32397	27398	12855	1151	0	0	47269	60889	654	4043	3730	35732	38423	36449	0	61412	57765	23506	4597	11968	6874	7414	28320	125380	51971	22846	78460	27429	1989	18619	24073	23434	2517	1384	0	2599	0	0	6547	34758	56360	30208	60201	4275	15892	74337	35239	25926	21948	15478	3902	8722	15787	10847	79743	91886	0	35311	26450	55518	69937	61193	9044	6150	7615	48912	6065	46772	0	7911	93267	Phytochemical	0.5217391	0.7826087	0.0
12	C23 H18 O12	487.0871	487.0879	0.1837547	487.0872	10401	14953	5232	10426	8848	4213	0	0	15934	21493	25434	2083	20831	4052	1075	0	1773	10741	13426	10391	12572	21209	5430	0	0	2549	1450	0	0	0	1110	2397	0	0	38146	954	1986	2823	4635	5955	17668	4571	0	0	0	8960	35046	0	1292	0	9154	5103	8225	0	14052	16282	7429	1777	0	0	0	5922	31865	11201	4514	16574	6203	0	0	6379	9694	1334	0	0	1731	1629	0	2685	6876	0	6600	11400	1372	1841	20407	6638	5883	4645	2437	0	0	2189	1874	24199	22747	0	7789	11020	20250	24564	17897	0	1426	0	0	0	12377	0	1913	22537	Phytochemical	0.5217391	0.7826087	0.0
26	C23 H18 O12	487.0871	487.0877	0.080236465	487.08713	8641	6784	10436	7680	19420	10965	2395	0	17626	16126	2358	0	37988	7754	0	0	0	28803	22682	8160	9168	19413	5760	0	0	0	0	1878	0	0	0	0	2189	0	20810	0	2254	2545	0	3579	2761	0	0	0	0	8908	7956	0	0	0	7115	5962	9021	0	26561	20946	4358	0	0	0	0	0	35526	16696	3793	21306	3527	0	0	7088	6425	0	0	0	0	0	0	0	11453	14389	8138	6096	0	0	22530	10740	8802	4699	3500	0	1282	2802	0	16428	32514	0	9242	10582	10549	20818	19046	0	0	0	0	1510	15434	0	3020	38883	Phytochemical	0.5217391	0.7826087	0.0
28	C23 H18 O12	487.0871	487.08768	0.1157201	487.08716	6296	5768	7564	7465	13760	7074	1873	0	16949	13266	2542	0	32538	9286	4078	2514	0	21975	20976	5026	7113	15300	7186	0	2902	0	1387	1388	0	0	1186	0	2819	0	18476	0	2526	3145	0	2681	4009	2386	0	0	0	3627	8037	0	1336	0	6172	5416	9576	0	23616	11466	5570	1027	3388	1298	1850	2728	28076	12632	5303	15281	3880	0	5240	5239	7271	947	0	0	0	0	0	1737	10987	6984	9767	5098	0	1514	22744	10762	5645	3546	3149	1401	1376	3640	2813	14887	20020	0	8877	5826	11629	13582	15545	0	1921	2636	5177	1931	10863	0	2023	25896	Phytochemical	0.5217391	0.7826087	0.0
20	C23 H18 O12	487.0871	487.08774	0.06402912	487.08713	30208	28365	25427	29022	52802	30193	4036	3921	58669	58712	20361	4423	87818	29687	11857	1887	4193	62399	54629	34869	39230	64325	16305	3856	5219	9871	3311	10680	3387	0	3394	2543	7802	2992	72799	0	6795	9481	1893	20195	21355	11811	1978	0	421	35904	54254	1108	2637	1726	30930	26579	29051	408	57362	46831	18645	6782	8625	5576	6863	22173	105672	57265	15777	60482	15812	5508	15868	13287	16003	1253	0	0	0	2011	474	4584	26430	35776	21665	34572	2360	16373	63655	34182	21977	15641	13844	6302	5965	14189	10329	68549	70291	0	32736	22507	50431	67037	52068	6452	3979	7558	33976	6569	46475	0	6473	89291	Phytochemical	0.5217391	0.7826087	0.0
22	C23 H18 O12	487.0871	487.08777	0.14407435	487.08716	13399	18199	24681	18772	38179	21179	3067	0	40131	44421	10881	1580	52622	12372	7315	2408	2023	53908	34869	14412	22020	43403	12428	4559	4543	4392	4194	9215	1182	2396	1251	0	4921	0	41915	0	3867	7915	1662	11917	11387	4525	0	0	0	21850	28447	0	1822	1578	17897	14890	20757	0	41488	34070	13583	3156	3300	3884	1752	8603	63610	37268	10938	41897	13357	3023	9449	6726	11122	1225	0	0	0	0	464	3520	22538	23427	16740	22699	2864	6519	44258	19768	15317	8752	8566	2108	3269	6906	6042	41903	49265	0	14800	13580	28494	41272	37780	2918	2322	3279	18877	3934	29415	0	4873	68135	Phytochemical	0.5217391	0.7826087	0.0
24	C23 H18 O12	487.0871	487.0877	0.12747379	487.08716	11784	9125	9708	8939	23049	10193	1995	0	25031	22216	6585	0	52024	8749	5351	1687	0	35702	27424	9416	13093	23195	6679	2154	1528	4753	1580	1973	0	0	0	0	2871	0	32760	0	4380	4213	0	6940	4922	2539	0	0	0	8820	17225	0	1001	0	6876	13015	11629	0	29115	29354	7498	0	2183	2175	2083	4702	40014	21866	4891	32182	5431	0	6599	7416	8251	0	0	0	0	0	0	2630	19902	13348	12813	11518	1346	3833	36215	14522	7318	3249	6537	1739	3350	3678	2452	28016	36797	0	6700	12638	16834	22520	28109	2439	2004	2449	12299	1835	18913	0	2674	40017	Phytochemical	0.5217391	0.7826087	0.0
18	C22 H18 O11 N2	487.09833	487.09906	0.10386806	487.0984	20344	11926	11156	12194	9034	0	2116	3604	11812	44530	10520	0	20438	5498	2992	5342	4354	20244	15270	17772	34756	60532	2692	5276	2768	7262	0	0	0	0	0	0	4070	0	28492	0	6248	0	2968	16524	40032	5830	1074	0	0	36200	68432	0	3870	0	3654	16710	8498	0	13786	11952	4732	6214	0	0	0	29936	33444	18348	8618	15200	8892	4018	11052	12618	17018	0	0	0	0	0	0	5094	5834	31828	0	33544	2476	4322	16076	6414	7538	6596	8274	7722	0	10334	8246	50770	71224	0	6454	9212	16118	15782	13038	5006	4000	3814	26594	8216	7280	0	0	32952	Phytochemical	0.5	0.8181818	0.09090909
20	C22 H18 O11 N2	487.09833	487.09906	0.11921348	487.0984	4447	2222	2848	2745	7128	1612	0	0	4236	13988	2836	1099	7877	2555	0	0	0	3643	5032	2380	6695	14279	2744	2392	0	0	0	0	0	0	0	0	1424	1733	8326	0	3996	1531	0	5004	8119	0	0	0	0	11799	21174	0	0	0	2163	4623	4992	0	5339	3290	1062	2869	0	0	0	7679	12668	3465	2226	9727	1810	0	1169	0	2313	0	0	0	0	0	0	0	2581	10481	2161	9947	1376	0	3716	4079	2930	2299	2195	4910	0	0	3741	21226	16141	0	3311	3341	3439	5579	5221	0	0	0	12606	3007	2227	0	0	11690	Phytochemical	0.5	0.8181818	0.09090909
16	C22 H18 O11 N2	487.09833	487.09912	0.09623757	487.0984	8653	5818	4495	9908	6156	3642	1258	0	8469	12614	7219	1668	17478	2074	4526	1893	0	10313	11993	11270	13851	32946	0	2593	0	2325	2276	2178	0	0	0	0	1727	1519	31505	0	2043	1570	0	16761	20164	4857	0	0	0	17663	35795	0	2102	1361	5304	0	6166	0	13692	9240	2544	2002	1496	1830	0	12770	19731	8446	4508	13359	3535	0	4481	6211	6780	0	0	0	2724	0	0	0	4291	17923	3931	12935	991	6438	9797	3759	4032	2993	3268	0	0	3787	0	27341	32679	0	8344	4803	7148	8961	12231	0	0	0	13213	0	5336	0	0	22912	Phytochemical	0.5	0.8181818	0.09090909
12	C22 H18 O11 N2	487.09833	487.09933	0.22324243	487.09845	5521	4241	3151	2389	5068	0	0	1211	8246	14121	6519	0	12273	2807	925	0	1850	5528	7230	4357	6769	16225	2074	0	0	837	0	0	0	0	0	0	2256	0	17475	0	0	0	0	6628	20881	1268	0	0	0	8204	20009	0	0	0	3323	4040	3734	0	10777	5720	1738	0	0	0	0	6856	17856	8934	2588	10359	3605	0	0	2765	9327	0	0	0	0	0	0	0	1214	0	0	9683	0	1432	6900	1753	0	1122	1705	0	0	0	0	18793	11617	0	2779	2189	7251	9795	5576	0	0	0	0	1422	4752	0	0	12743	Phytochemical	0.5	0.8181818	0.09090909
14	C22 H18 O11 N2	487.09833	487.09915	0.21343978	487.09845	5955	6735	5259	6725	8187	2510	0	1795	10216	11178	8106	0	15263	2736	2694	0	0	8610	7140	7722	15061	20678	1121	0	0	1722	1886	0	0	0	1746	0	2225	0	28356	0	0	1743	2501	12218	24071	1290	0	0	0	12837	22785	0	0	0	6632	5460	5410	0	16430	8793	3755	0	0	0	0	10169	22576	13198	3585	10422	3125	2327	0	2334	10084	0	0	0	0	0	0	1093	4132	0	1774	19860	0	3199	9096	0	2600	2182	0	0	0	0	0	27989	21849	0	4342	3929	7818	9844	7894	0	1225	0	23750	3122	6332	0	1700	17475	Phytochemical	0.5	0.8181818	0.09090909
10	C20 H22 O14	487.10825	487.1091	0.31772384	487.1084	7702	7816	7441	5979	15023	8701	946	1065	17616	4890	4432	4618	30818	4189	4220	5475	4498	13577	18572	5923	7583	15727	7492	4900	0	0	1653	0	1460	2994	2529	2991	4124	1584	5948	1103	4616	5309	4317	4773	8274	5897	0	0	0	0	17449	0	1951	2750	6645	7182	8584	0	18070	15292	7866	2058	0	6430	0	2999	32865	20704	6887	18399	6899	3772	0	2311	0	1601	1482	2031	3933	3011	0	2732	7059	8391	7516	6199	0	0	19695	5663	6517	9054	7978	5041	0	1794	4164	24342	9887	0	10186	9100	15036	23364	25686	6308	4160	4944	0	4101	13545	0	1373	31187	Phytochemical	0.7	1.1	0.0
8	C20 H22 O14	487.10825	487.10922	0.31426263	487.1084	3530	4666	7814	3584	13730	5390	1694	1716	16432	10670	9724	2694	27880	3334	3932	3232	3642	12930	11642	4330	10997	9298	3934	1950	0	0	1788	0	0	2720	0	0	4360	0	11512	0	2274	2102	5756	0	10534	4790	0	0	0	0	17000	0	0	2296	4910	5448	9854	0	13370	20045	5292	1065	2150	5796	0	0	40271	17016	4798	19980	3862	5920	0	2890	3604	0	0	0	1732	0	0	0	5558	0	3638	3304	688	0	20160	0	4068	6942	3982	7633	0	0	0	13020	8492	0	3826	2466	15840	32556	30170	0	2276	0	0	4028	15236	0	0	24896	Phytochemical	0.7	1.1	0.0
22	C15 H27 O14 S1 Na1	487.1092	487.1093	0.021433363	487.10922	8274	11467	12384	9786	7640	2572	0	0	7800	46635	30590	0	16466	0	0	2964	0	13188	8184	26236	28215	42766	1435	2768	0	42902	0	19736	0	2024	0	0	0	0	55984	0	0	0	0	39980	26131	0	0	0	0	23399	43610	0	2528	2192	12694	8798	4428	0	6335	8662	4832	0	4921	4346	1612	26536	6964	8656	0	9380	0	0	37328	51342	82844	1475	0	0	0	0	0	0	3180	23578	0	23719	0	15358	8786	4646	0	0	5390	0	15210	7210	0	39166	52824	0	7952	6782	8131	5630	7250	0	1535	4902	15777	0	8432	0	2382	11782	Organosulfur	0.93333334	1.8	0.0
22	C24 H22 O11	487.12347	487.12415	0.08086703	487.12354	39530	41966	35929	40605	49652	35573	7473	6638	66507	143913	39437	6480	88245	42926	17907	9199	3584	80297	60791	72435	62639	76366	20611	12233	12156	53048	5433	29008	5576	4225	4241	4778	9954	5475	147769	2066	16611	16526	4879	53164	27021	10019	0	0	548	70838	71865	0	5129	5651	39804	33618	34555	597	60150	48200	23154	9648	9335	6090	13344	39360	90636	53334	20888	65446	19462	4949	41972	85000	69362	6771	4757	1378	3598	4543	581	8205	35531	43526	27748	62598	8541	35150	70931	39840	29108	12398	18845	8307	20130	24856	14968	70992	95271	0	38855	40233	53870	62383	53491	11136	6803	11306	55782	9959	49474	0	10583	93443	Phytochemical	0.45833334	0.9166667	0.0
28	C24 H22 O11	487.12347	487.12408	0.08055531	487.12354	6574	7596	6745	6119	11963	4976	1297	0	13013	22009	5116	1727	24917	8976	2944	2218	0	13635	14542	11847	12071	10333	3922	2722	2401	9223	2106	3481	0	0	0	0	3910	1464	24034	0	2329	1970	0	5362	5739	0	0	0	0	9622	12452	0	1523	0	6462	6806	7591	0	16060	13772	3970	1927	1620	1090	0	5059	22553	11064	4351	15537	5566	1063	12049	18056	16110	1132	0	0	0	1219	0	0	10331	7858	7700	6649	2997	4814	17164	6937	5189	2891	2178	2979	2060	3198	3283	10645	16602	0	9139	4412	9852	13009	15546	2691	1179	0	6216	2073	9574	0	1775	18776	Phytochemical	0.45833334	0.9166667	0.0
20	C24 H22 O11	487.12347	487.12415	0.042763103	487.1235	72382	75533	63161	68532	103526	59800	18947	15983	103712	246699	91032	13352	153990	52833	29631	16051	9472	116009	103861	153888	142906	136092	32556	22636	27944	91282	12661	72237	18217	9296	12492	14692	35603	9609	298975	9989	33582	27170	12035	84787	61529	26437	2644	0	0	123195	133528	862	18020	11520	69026	65251	60053	617	108677	78592	41378	27283	26073	12493	26138	62971	146740	83733	38906	102634	43222	10860	93634	152129	120312	15620	9530	6561	7773	8805	393	14425	57240	79334	43458	97386	19043	73358	107369	56404	48514	26530	35638	18447	34578	56175	30040	110355	149446	0	75437	66413	90681	89939	86439	25642	16289	28589	93165	23381	77506	0	26008	152958	Phytochemical	0.45833334	0.9166667	0.0
24	C24 H22 O11	487.12347	487.12408	0.11926626	487.12354	16102	20974	18829	16034	36728	14907	2679	3698	33228	57044	19489	2543	51275	16948	6995	4198	2462	32903	33578	35587	37791	36728	11507	5411	5903	22463	2884	13662	0	0	3438	1833	4759	2677	72061	1684	5491	6803	2336	19105	19548	5037	0	0	0	27218	35247	0	0	0	16617	18570	25567	0	37275	33905	10968	4146	2840	1477	4220	15047	54884	31178	9581	32456	12408	2845	22721	45555	42756	2221	0	1477	0	1308	0	3581	17299	19841	14370	25824	2348	13426	42494	17419	14336	5878	7643	3263	7088	8776	8929	42186	54344	0	23005	14280	26905	33047	31546	5260	3685	4837	25361	5042	28818	0	2785	54664	Phytochemical	0.45833334	0.9166667	0.0
10	C24 H22 O11	487.12347	487.1243	0.14835232	487.12357	8860	7883	4713	6830	6627	2484	1851	3261	8297	26273	14387	2409	8297	3766	3455	3273	3616	7804	7486	11937	12997	11552	5906	4657	1503	13084	4038	3978	1715	2065	3710	3386	4930	2173	37266	1277	3725	2786	3898	10887	15879	980	0	0	0	9276	17395	0	3440	3723	8246	9770	3396	0	5940	4082	3342	2411	4323	6017	0	5455	10677	5558	3173	7814	2227	3768	13381	13355	25760	4011	4050	2789	4559	3758	0	3047	11503	0	6854	8288	4373	5663	10394	3622	5027	2863	4467	4618	0	2622	2405	12921	13496	0	8374	4978	7390	10592	9393	3097	2452	0	0	3144	6060	0	3284	8033	Phytochemical	0.45833334	0.9166667	0.0
16	C24 H22 O11	487.12347	487.1242	0.071449466	487.12354	71265	75085	67639	69501	80211	47908	24580	23760	96099	279411	137372	18308	109250	42113	28913	31185	16648	93655	97902	163250	147497	151981	45041	33391	24814	105224	21906	79975	21885	17749	21715	22028	33814	18054	357137	17015	36400	30314	19745	96486	82530	23691	1564	0	0	135765	145119	0	24758	19495	64083	75377	54355	265	89022	66480	36248	29069	30189	21726	27533	69446	142010	75230	31256	89418	41868	17564	94214	145153	148920	25852	16026	10700	13765	23978	0	24396	54075	91474	43149	128604	21742	70585	95473	44141	54285	28925	31465	31874	30659	49879	35908	112147	161906	0	72849	72624	84752	85052	76838	25572	22204	33688	103625	26143	65621	0	26343	113819	Phytochemical	0.45833334	0.9166667	0.0
14	C24 H22 O11	487.12347	487.12424	0.08306631	487.12354	52387	47206	48336	46782	44478	33130	14543	19533	57607	156754	101433	20049	64284	22336	21474	22823	14855	54175	52515	98817	97679	99966	25567	29356	10550	66669	19805	71526	11533	10864	18735	16494	20128	13829	209942	16052	19707	22657	15133	62551	81748	17380	0	0	0	90511	129301	0	20920	15292	45597	46472	33323	0	50487	40636	24422	23453	26500	18757	0	51014	75776	49693	20628	55713	22464	9285	87109	89983	98072	16107	11817	11949	11761	18015	0	14749	37201	58188	29012	78214	16642	41573	55600	24828	37046	23092	24039	26738	24950	28609	25222	86016	97844	0	56622	40014	52227	51790	54065	17417	14065	21111	71919	21401	40496	0	18612	53804	Phytochemical	0.45833334	0.9166667	0.0
26	C24 H22 O11	487.12347	487.12415	0.14815946	487.12357	12916	9190	10037	9543	16768	9555	2174	0	25731	39783	8487	0	37249	8326	0	0	0	22230	20296	18262	20838	23316	7739	0	0	12803	0	5971	0	0	0	0	2568	0	40521	0	3530	0	0	9808	7563	0	0	0	0	12723	20115	0	0	0	9830	10143	11715	0	26765	17759	6995	2171	0	0	0	7657	35913	19227	6022	24832	5954	2276	18009	29413	24163	0	0	0	0	0	0	0	9807	10060	10336	11950	2759	9097	25879	9461	7134	2870	3719	1669	3356	3653	0	22172	40014	0	14031	11234	14161	18722	20183	0	0	0	8387	2174	15139	0	4581	34894	Phytochemical	0.45833334	0.9166667	0.0
22	C23 H22 O10 N2	487.13474	487.13538	0.05421319	487.13474	5256	4527	3183	5114	4639	4018	1769	1801	4030	12614	3751	2583	5557	0	2597	3197	0	4430	1733	7833	10416	16029	4758	0	4337	2551	1590	2795	3202	1892	3542	0	3746	0	11792	1326	3370	2256	1596	10181	9327	3046	0	0	0	9278	12175	0	0	1513	5836	4523	2811	0	3650	4690	3956	3241	1849	1903	1260	9725	6616	7408	0	5447	2988	2660	3711	6200	2459	3935	0	0	1287	1999	0	6037	3138	8173	3036	8453	2233	5485	5018	3734	3270	2655	3104	2712	4612	0	4837	23409	16503	0	4609	4474	2203	4593	3889	4113	2109	4621	11980	2948	3857	0	3377	7434	Phytochemical	0.4347826	0.95652175	0.08695652
8	C23 H22 O10 N2	487.13474	487.1356	0.12084548	487.13477	7725	8128	4517	4126	4992	2074	2422	1882	9504	20636	12635	2269	13448	1236	2798	2004	3041	5760	10120	12143	22894	16089	3393	4146	0	4373	1567	6485	1790	1853	1745	1883	1876	1111	32467	979	2009	2478	3870	12661	21609	2712	0	0	0	11215	22212	0	2796	1778	5765	4561	3500	0	12261	5399	1536	4049	2285	2367	0	8300	11941	7426	2143	6635	3946	3824	8473	9936	18386	1895	1696	1262	1878	2130	0	1497	3999	5343	3442	10478	2231	5217	6723	0	5006	2651	2228	4157	0	0	4951	18894	16836	0	5420	6440	7226	9281	8683	2592	1706	0	0	2558	4372	0	2113	11280	Phytochemical	0.4347826	0.95652175	0.08695652
12	C21 H26 O13	487.14462	487.14548	0.22773267	487.1447	35307	30823	35620	34289	16727	21736	16672	27645	31184	57541	33423	21766	35963	7678	28665	24945	17235	32293	41612	43297	41453	85060	30784	24315	14094	6838	15751	19022	31972	21221	25472	28082	27181	29238	65183	25879	28129	25371	17680	32719	32157	17004	417	0	0	60339	82448	0	22558	23501	40682	32424	19404	0	43647	20149	13871	28505	20932	16396	23909	40511	78664	29267	10277	32838	19739	18426	0	12478	14454	25155	26562	22799	19403	22602	0	24343	25925	25062	21336	47238	18473	16613	24794	15299	24405	12931	16995	24302	10703	22700	32657	60027	40032	0	42843	34255	27558	19673	21123	27120	22286	27721	52556	22204	23101	0	15038	46380	Phytochemical	0.61904764	1.2380953	0.0
10	C20 H26 O12 N2	487.15585	487.15662	0.11457706	487.1559	14860	14245	17445	17427	7799	9515	10135	20259	14906	11841	9071	13812	20098	3979	13318	12745	13538	19454	20051	14365	14567	30418	18201	22144	7368	0	7799	3142	19562	13928	17272	16901	21808	14312	16419	16333	27596	14083	16901	12569	15962	11880	0	0	0	17202	20459	0	14053	15874	15554	13115	10542	0	27512	10579	7872	17042	25474	14676	17887	12925	18998	17214	11426	15487	17869	18272	0	4239	6037	15512	15624	17363	9824	14466	0	11452	12928	7817	12448	10917	8752	3350	14856	6583	13077	13348	13800	17163	10813	16326	31582	15315	14968	0	16127	17474	7133	10493	9973	21417	14206	23430	48240	18224	7842	0	9052	20937	Phytochemical	0.6	1.3	0.1
14	C20 H26 O12 N2	487.15585	487.15668	0.20898397	487.15594	533386	398434	444735	498179	394394	383634	316077	659555	534812	642277	361606	339183	722683	158985	524065	567578	371688	434750	694770	985919	1059231	1001264	529530	690012	244468	254674	257183	213645	386170	546442	458473	313031	417291	411335	783670	501330	502012	416978	253971	460620	587842	275610	0	0	0	1369335	1547571	0	307184	351637	399782	503002	252034	0	771333	386785	185358	478541	679139	210294	374982	419751	677385	561005	167251	441953	337798	259889	368239	350563	535858	513672	413858	512211	249610	405182	0	400571	369910	288049	395720	821893	338868	213265	448747	349150	255382	302882	351004	253286	246701	328096	461430	536248	676341	0	511974	425579	435266	310511	247689	640528	239200	586646	796452	454117	403468	0	261908	661908	Phytochemical	0.6	1.3	0.1
12	C20 H26 O12 N2	487.15585	487.15668	0.18165274	487.15594	37443	44307	47295	59745	33684	27915	34107	67723	42366	40575	35787	48615	66435	19728	66420	40461	60546	63036	74523	61035	56705	84453	67281	65838	37563	0	24639	0	66426	44823	61077	54624	60705	48489	59145	65145	58872	52383	46320	42537	35535	39246	0	0	0	78603	66858	0	72207	48468	41295	51738	43946	0	88965	30987	22539	60408	81453	46371	0	50700	72687	61344	20121	53724	48573	63666	0	9963	3930	53751	52050	58392	36954	46410	0	48642	44553	51402	42378	35533	26562	17183	32724	30945	38130	20571	40653	70176	34617	68859	116493	46290	32712	0	67206	53865	24879	26115	23373	79070	60438	49170	0	68379	25437	0	39432	70989	Phytochemical	0.6	1.3	0.1
12	C25 H26 O10	487.15988	487.16068	0.07482891	487.1599	31259	36055	29910	34067	18538	11149	25530	28969	20690	60519	50913	14692	12287	9897	16335	27435	26581	16055	20271	53703	45476	38089	18343	35342	12646	43210	23194	37614	16441	18359	15925	18916	22072	20162	72182	19716	20774	15445	27797	33038	53371	12902	0	0	0	40917	56903	0	28512	19950	33093	38527	11700	0	16389	15468	11824	25032	19658	29635	30514	33800	22925	13905	9357	20363	10360	29268	44283	61164	79894	20676	21783	23410	16514	24253	0	17680	25260	26146	27515	25871	20960	24214	17700	10640	26473	7892	11982	22119	19689	13671	22349	24526	27725	0	27638	34789	23184	13659	15948	26602	13692	31713	32507	14311	13730	0	18073	20232	Phytochemical	0.4	1.04	0.0
26	C25 H26 O10	487.15988	487.16046	0.004595393	487.15988	23031	22739	26057	18767	29796	16660	2299	7329	37028	60885	25336	3958	53437	16284	11747	8730	0	41081	33615	42727	52683	28653	13804	10226	0	37536	3986	16982	5598	0	4597	4520	6191	3336	67013	0	10509	6999	6737	30367	22645	0	0	0	0	36774	26298	0	5228	0	22551	21447	16073	0	39880	40539	12474	9914	6042	0	8295	17486	52039	30808	13179	37064	12802	3605	48668	78498	74754	5652	3899	0	0	3345	0	5067	18842	16552	14184	18644	5232	18936	41654	17193	16194	8939	9981	5053	7589	10864	9715	25168	39681	0	20283	23334	24494	38740	32756	7442	4299	9231	16810	7389	23177	0	4537	48906	Phytochemical	0.4	1.04	0.0
18	C25 H26 O10	487.15988	487.16052	0.049457602	487.1599	194591	189755	175002	171687	178554	116096	78908	111137	180602	578098	300707	70199	236612	101997	100460	116890	65645	198445	208729	428061	411331	232095	115835	113474	82724	368975	71038	237062	106778	83422	100609	113099	127321	106161	632005	100698	118702	84889	79851	279498	217622	77188	4531	0	0	288342	231682	473	109886	91523	185484	189832	124070	0	208534	148411	88375	112817	98560	64334	125853	180696	252035	147799	76035	175140	114133	81154	328893	500813	494792	102337	89890	86048	71507	91083	0	76617	153123	129745	130841	209570	88057	200308	176907	114421	138734	85701	95658	89191	143187	142897	132818	176424	246046	788	183221	163413	180577	164953	142046	115671	73008	121498	149470	98309	134522	0	82727	218681	Phytochemical	0.4	1.04	0.0
22	C25 H26 O10	487.15988	487.16052	0.03345359	487.15988	103152	107018	96300	101365	129527	85805	28308	50344	151838	329873	142157	31191	178456	79695	46912	55197	23982	159351	131575	216947	230695	134460	64551	56850	46277	215898	26014	130852	41207	32015	39472	40365	52851	39587	379498	35050	62225	46374	31881	147942	109540	37484	2595	0	372	152385	134967	0	42967	39382	106383	117956	80737	601	134737	107500	53354	54978	44432	25918	47932	101793	183458	113569	51042	120420	62821	27943	173885	354230	283403	41108	31794	28931	24882	32084	412	39999	98878	85111	78006	119346	39330	106595	140826	64868	78466	42710	49993	42450	65219	77549	68936	88338	146600	0	87007	106452	109690	118909	111013	46493	30068	54078	102055	43502	107560	0	45039	184040	Phytochemical	0.4	1.04	0.0
24	C25 H26 O10	487.15988	487.16046	0.025003467	487.15988	47549	46243	42169	45073	67274	41152	6660	16056	69750	137074	59935	10920	107917	32864	17874	19372	7070	69950	67350	85663	93754	53645	26882	26441	15353	97896	4953	42530	11991	13739	17903	9857	18496	13226	155583	11215	24320	19018	11049	66672	54785	14389	1791	0	0	64163	62265	0	15771	12943	49066	43370	39896	0	68205	60290	24939	24595	16406	9375	20921	43017	100187	50736	19058	76009	26514	10034	93750	152562	140486	14801	12176	6496	7663	11874	0	12396	50108	27013	33230	50920	14101	43594	80014	35714	30846	19266	19451	15475	21457	26609	26931	48477	74897	0	43396	41275	52439	62562	60483	12792	12221	23137	40683	18982	48172	0	14788	89380	Phytochemical	0.4	1.04	0.0
28	C25 H26 O10	487.15988	487.1605	0.07306367	487.1599	10321	10365	9753	9626	16300	6383	4136	2623	15526	27667	12450	2259	32530	10030	4275	5339	3008	17510	18853	20000	23333	12446	5540	6082	2886	22551	2809	10080	0	0	4091	2229	3724	3447	37727	0	4370	3361	1858	10251	10900	3780	0	0	0	11935	11391	0	3343	3111	11733	9233	8027	0	21405	16564	4698	4631	2801	1429	4334	6978	26549	14077	6796	19147	4840	2339	24133	42106	37928	3065	2036	0	0	1833	0	2671	12191	8625	10752	9307	2898	7910	18366	7639	9430	3227	4270	2918	5381	5362	5441	11746	18730	0	9731	10721	10074	18245	16250	3790	1678	5875	7428	3348	12173	0	1963	19576	Phytochemical	0.4	1.04	0.0
14	C22 H30 O12	487.181	487.18173	0.109480366	487.18106	47383	37733	37878	30721	21430	23703	28133	48748	34903	64562	38574	23667	32334	6858	41405	35651	27351	26884	29201	60612	53269	39955	43630	50842	32690	10963	24522	25718	106664	47078	88856	50941	110234	41554	86770	45785	47388	39326	21368	89022	18592	19867	0	0	0	56011	37069	0	44922	47259	40433	32756	21328	0	46865	19879	16459	43271	64858	19341	48258	28985	36395	29805	14196	31485	24173	21847	0	27990	41513	44043	46078	45343	27927	80232	0	37902	32636	22492	34359	34844	37578	25086	20425	18356	28848	19398	24525	24808	27272	41517	97190	25511	34063	0	42568	41677	20035	18265	17829	44121	26444	60643	29990	45349	19367	0	30885	31527	Lipid	0.54545456	1.3636364	0.0
12	C21 H30 O11 N2	487.19223	487.1929	0.060427222	487.19226	8319	14107	12465	13083	4788	6788	11055	25893	7491	10935	4999	6789	8566	2047	18661	11395	0	13251	13622	17185	9183	18725	16596	21357	15277	2625	8861	0	17943	14711	15333	16951	24806	14620	17699	15195	22489	15028	11646	13322	0	10183	0	0	0	11776	0	0	14094	16450	15989	11420	9779	0	15454	3485	6380	20086	31288	0	0	7405	7619	5618	5381	11084	6659	0	0	0	3965	15757	15558	17517	6450	11601	0	9867	13155	0	9556	7495	13734	6414	4835	6510	13138	9496	8905	12044	18913	25217	34120	5817	8292	0	11858	13208	3021	6542	5019	16306	8671	17629	0	15791	4895	0	14268	12716	Lipid	0.52380955	1.4285715	0.0952381
14	C21 H30 O11 N2	487.19223	487.193	0.11836021	487.1923	60160	50808	34040	47428	26796	27044	45764	72572	45404	34112	10380	28440	45684	9208	90024	39656	36312	58684	58500	52536	34176	51608	50348	57280	84660	1898	33404	0	81852	61872	77824	72988	89288	61676	57812	77672	80104	45336	37814	51995	0	26656	0	0	0	49076	19456	0	71472	70324	35016	43756	40700	0	47120	20888	22060	84804	93044	0	0	40484	38628	43732	17440	27996	30496	34600	0	21712	10532	62440	55548	71052	29924	59416	0	55300	35032	0	38440	28672	61524	24356	39380	37004	34492	29012	37832	47732	60520	70176	131576	24952	33808	0	51544	66732	12504	27324	26816	68296	51872	67104	0	56232	12588	0	31396	61616	Lipid	0.52380955	1.4285715	0.0952381
10	C21 H30 O11 N2	487.19223	487.19302	0.11427638	487.1923	30158	21544	22348	22708	11190	14682	18234	37858	11734	13498	6108	17198	23206	3480	27690	27892	16736	18822	22038	20910	16066	39126	22012	38178	21592	0	20868	6856	35308	24470	29150	23038	39144	27934	29652	26530	38530	23464	25744	18674	13158	14806	0	0	0	17644	13552	0	35976	21956	26066	21032	10952	0	28604	13212	9878	27360	38932	9686	27862	10160	14516	19348	6772	15640	21942	19830	0	0	2039	30886	27596	29594	13100	21014	0	19318	15956	0	10970	10536	16526	11448	12490	12646	18806	16272	12468	20220	26172	42052	63778	17646	12112	0	23138	19792	11324	10444	9636	27952	16996	24104	0	34342	7754	0	14080	25646	Lipid	0.52380955	1.4285715	0.0952381
12	C26 H30 O9	487.19626	487.197	0.039311495	487.1963	24715	27170	22461	27747	12052	7260	20335	25540	13358	27886	20080	17027	5865	6198	17515	28600	24839	7892	12465	35929	27814	24575	15948	35244	11185	30466	22988	9861	22350	21809	20361	24778	19953	15431	24688	23390	18079	18811	29646	21528	28710	9575	0	0	0	22077	31593	0	26380	24777	30003	28140	9762	0	13627	9369	11437	21423	24099	21789	0	14183	9128	11493	6906	8720	9117	26719	19565	37596	40080	20221	16371	24091	24836	23154	0	13868	26583	0	25886	16868	20953	18335	11833	9900	22757	6826	11016	54763	20431	22222	20667	13612	19444	0	29201	25011	11059	13023	13107	25241	15618	26283	0	21683	12651	0	20395	8684	Phytochemical	0.34615386	1.1538461	0.0
28	C26 H30 O9	487.19626	487.19687	-0.030599976	487.19626	19625	14983	16484	16965	24845	10159	6375	8524	22516	39957	22841	5779	40857	15027	10831	14485	8488	26589	29731	36944	35274	17008	12293	16029	10259	47788	8185	21734	9055	6941	8294	6984	11253	9143	47640	11369	13091	8355	7954	19600	17491	9246	0	0	0	15135	15423	0	8052	7247	17165	16067	15441	0	24656	21156	8312	15831	6978	4523	13819	12447	31018	18063	6887	29553	9599	6173	50805	69659	71919	11282	5752	3886	5849	8557	0	6326	16694	11339	14215	7914	7027	15164	27779	13746	18362	7963	8719	10801	12855	13700	17584	14238	23644	0	14843	18510	15311	26052	26070	12287	5543	12507	8989	11407	17151	0	6927	25607	Phytochemical	0.34615386	1.1538461	0.0
22	C26 H30 O9	487.19626	487.1969	0.052654713	487.1963	288292	305120	263397	279408	297645	204021	106734	216266	342286	717588	399676	125745	357318	199427	180937	211333	113589	358200	314104	686995	613676	300379	216557	227899	188305	691221	104486	362752	199404	161048	175137	190209	215889	175525	842744	176313	251566	153078	132146	397196	295710	144702	6810	0	679	320985	240209	0	199301	181706	292861	292962	219367	1532	315166	263035	145389	232296	171984	109301	201457	280147	394539	276192	128866	304190	174602	122774	573973	1120811	889239	195216	152363	141564	101580	164309	473	155085	279326	153354	225692	202990	147466	281370	310046	183166	250615	152226	176449	185222	232203	271497	265794	220699	314990	0	259137	265705	243794	277719	230794	197217	138382	225439	212179	181712	234453	0	162065	408393	Phytochemical	0.34615386	1.1538461	0.0
14	C26 H30 O9	487.19626	487.19696	-0.003045305	487.19626	90447	84929	67287	66238	42158	27698	52481	78305	46210	96428	86707	51590	43198	27717	53610	86452	91637	40152	53076	112045	96876	81523	67708	89691	47114	111613	51640	75490	47890	65651	56403	72681	69376	46682	97560	71523	60026	56762	86479	80250	102402	38137	0	0	0	63467	82701	0	66716	68349	79876	82687	37258	0	56133	39803	36914	88537	59713	94801	62892	46503	46799	37250	27766	44870	35416	83455	100750	115289	139036	55217	50283	68050	60184	71117	0	49079	89102	60997	69513	54439	60860	59935	58531	32646	79715	34746	42919	123837	51019	59652	79783	47102	60182	0	77951	76037	42944	57056	46650	65861	47751	86522	47930	56822	39450	0	67611	39756	Phytochemical	0.34615386	1.1538461	0.0
18	C26 H30 O9	487.19626	487.1969	0.029248796	487.19626	368009	333950	314537	303159	281701	177964	173419	277281	260782	618704	400132	189296	307853	168349	222099	292613	191386	252239	342203	611987	598304	301898	253549	298706	195954	725153	182070	347712	270704	225244	242519	276247	272944	256734	629089	237741	268439	207880	224870	422926	389593	160480	6348	749	0	310330	264503	763	267271	238994	321263	319862	213061	1004	296832	236007	162027	302870	219325	180445	277454	267514	340082	248365	141108	271889	209194	238760	579897	846682	992167	240752	215315	224755	184059	264131	0	182922	352289	178613	272706	228701	205619	314202	301912	187233	311432	164103	179293	247401	271753	293940	332775	204371	276567	1704	312548	280521	253314	259947	235616	251028	178588	269521	180283	233095	206342	868	227658	297832	Phytochemical	0.34615386	1.1538461	0.0
26	C26 H30 O9	487.19626	487.1969	-0.018351864	487.19626	50423	49075	45699	44260	61244	30933	10583	31826	68434	105973	52119	23595	100297	38612	39221	27512	16091	63516	70712	97983	106459	51679	38392	37467	22451	124598	10359	50071	21409	19968	24880	19096	27656	21621	118782	20433	33886	27295	22010	65640	51830	21179	0	0	0	55088	51697	0	27948	24585	48207	49558	39047	0	68393	67968	29070	32682	22175	14033	29854	42447	83264	48482	21418	69053	35283	19543	119378	166975	178708	26967	24151	15966	18907	22510	0	19591	52827	32167	37429	30310	18972	43439	72949	30301	41312	21257	22879	22789	30187	34104	45760	36891	53071	0	51945	55036	41923	72314	74824	25671	17363	30252	27386	24377	52733	0	25109	70746	Phytochemical	0.34615386	1.1538461	0.0
24	C26 H30 O9	487.19626	487.19684	0.013378861	487.19626	129443	133551	122282	120864	148819	96112	44209	83269	161155	301224	162724	54862	239339	87553	78142	87900	49112	161966	171836	286183	266780	138558	100669	99527	69558	301102	32407	151410	66884	62150	73275	75081	89729	67007	366581	70459	104674	64445	59952	187142	130136	58566	4620	0	0	137454	121755	0	80005	62520	135760	116924	108467	0	165890	140491	66913	89234	71137	44633	99437	124063	204723	133282	56549	171589	82149	61188	270778	455242	411219	84246	57902	56829	43189	61488	0	60390	131447	73836	107094	90870	59651	131077	166737	88347	114110	65716	73468	72195	85679	107956	132917	89505	132554	0	120115	124898	117155	134552	146571	81607	50898	91320	80514	89746	106869	0	72745	192711	Phytochemical	0.34615386	1.1538461	0.0
8	C25 H30 O8 N2	487.2075	487.2083	0.04719103	487.20752	11293	11192	8983	8392	5203	3132	4233	9072	4760	20728	11518	5491	7116	4530	6293	8580	4914	4614	6928	26597	24989	17985	7551	14147	7449	11253	4976	9217	7665	7374	7481	9799	11548	7294	26613	4163	10438	5570	7301	20059	18182	5894	0	0	0	13222	10535	0	11705	6288	10022	8518	5388	0	8198	3079	2691	12056	2157	3124	5007	9834	4490	4374	0	7236	4263	6128	8961	18651	16093	8780	8412	5712	5560	7381	0	6437	8212	7376	6138	5497	3890	13461	3891	0	8370	5527	5786	14185	0	8640	16372	13114	19118	0	10074	7674	2356	4136	4274	9487	3559	11799	0	8379	3787	0	7122	5737	Phytochemical	0.32	1.2	0.08
10	C25 H30 O8 N2	487.2075	487.20825	0.055302203	487.20752	17379	18618	15692	15853	8874	9453	6676	16296	6538	31813	17487	8622	10106	5220	9697	12617	12850	7886	12249	42288	36079	27786	10900	15014	12653	20069	7428	15898	16946	11278	14890	17640	21205	12381	42998	12173	17076	8443	12608	37055	23816	7748	0	0	0	23550	12804	0	16199	12319	13063	19052	10009	0	10716	5373	5079	19834	3035	7792	14578	14757	4508	5226	4090	9255	11493	13385	14491	35079	24799	12111	12779	11525	9408	8347	0	8082	13120	11362	9561	9894	7376	17955	4180	3822	11787	10729	9314	15850	23551	19277	25931	18241	31736	0	14282	17415	4403	5757	6206	14251	5755	13404	0	14239	5698	0	12807	7246	Phytochemical	0.32	1.2	0.08
12	C25 H30 O8 N2	487.2075	487.20825	0.02587443	487.20752	10763	21365	16285	12832	10043	11059	15915	20816	10681	34381	23040	13021	11453	6300	13298	19641	23473	8502	18076	44523	45558	29368	14282	16823	18721	24999	12021	13009	18130	13117	15985	15103	27881	15514	50821	17997	21818	11171	22524	43085	27151	9719	0	0	0	34559	21357	0	23773	16443	16519	19655	12288	0	11550	9172	8345	26647	12212	16485	21609	26295	11072	11056	6742	11110	14170	21143	17589	47925	37769	17246	14406	14276	14015	15072	0	10860	18204	19331	14548	11477	11336	23702	8297	6317	19868	9962	13919	27823	25703	22911	32994	22472	31705	0	15173	14053	5508	10281	10591	23114	10840	16572	0	19966	6589	0	14103	8533	Phytochemical	0.32	1.2	0.08
24	C30 H30 O6	487.21152	487.21207	-0.05631068	487.2115	4911	4101	4320	3583	4248	0	2649	2472	3813	4069	11544	3372	1878	3027	2035	3087	1912	2913	3882	7553	4978	2862	3851	5647	2208	35885	2497	9864	3501	0	1966	0	3202	2969	4770	3270	3143	1606	5364	6786	10435	1558	0	0	0	1948	4984	0	2299	2305	5833	4360	4530	0	4685	4171	2383	2870	2464	3367	4530	4664	1604	2855	1705	4895	7259	4441	31658	15234	33312	0	2703	0	2035	0	0	2815	7772	2112	7147	4295	4402	8794	6490	0	7437	5792	2762	7096	3919	3215	6005	4451	2851	0	3414	3240	2856	4586	5512	3643	2209	4520	3860	4209	2999	0	5317	3153	Phytochemical	0.2	1.0	0.0
26	C30 H30 O6	487.21152	487.21204	-0.039012935	487.2115	2638	0	0	0	4589	0	0	0	3495	2263	7027	3591	0	0	0	0	0	0	0	0	0	0	0	0	0	25524	0	8011	0	0	0	0	0	0	3148	0	0	0	0	3331	4785	0	0	0	0	0	0	0	0	0	2587	3228	0	0	0	0	0	2009	0	0	0	0	1712	0	0	2741	0	0	21236	12381	21192	0	0	0	0	0	0	0	0	0	2786	0	0	5360	0	0	4741	0	0	2348	0	0	0	0	0	0	2406	0	0	6632	6563	0	0	0	0	0	0	0	0	0	Phytochemical	0.2	1.0	0.0
18	C23 H34 O11	487.21738	487.21796	-0.07530375	487.21735	98784	85728	70544	83336	46812	45408	87844	138163	67852	162980	135140	40633	83916	71800	127968	95268	27204	92332	106588	145108	95654	110452	92252	106644	130271	150544	56624	52980	164704	129668	132492	174264	142382	94136	162868	146900	179876	99248	52179	64752	51768	41064	2624	537	0	101208	18974	0	132117	105196	88392	84320	53644	822	137816	42192	42492	133286	164233	61168	109854	44023	93356	78616	84840	62828	71392	31381	53056	21349	229736	130211	99300	163900	49604	131668	0	88612	87144	54188	71908	48588	103480	45176	35424	40840	43972	38684	61284	99647	101132	100516	156652	43008	44732	697	110024	73208	41992	50292	48356	105165	71020	143888	36316	97452	37404	0	74729	72452	Lipid	0.47826087	1.4782609	0.0
8	C24 H30 O7 N4	487.21872	487.2194	-0.19617245	487.21863	2678	4489	3838	5603	1622	1604	2830	7618	0	3578	2323	3165	895	0	4873	5994	4151	806	2549	3825	2960	6983	4775	8345	4151	0	4185	3371	5051	4706	6183	5913	7273	5945	2926	3581	6711	3252	7121	4074	4183	1447	0	0	0	2578	2353	0	6785	5318	7783	3899	2483	0	902	911	877	2477	1578	2623	7483	0	1131	999	0	0	1965	6864	0	0	0	4663	5469	4371	4953	6223	0	3562	3847	29480	3285	2249	3238	3309	0	0	4481	1875	2587	9217	20308	7641	10243	2422	3624	0	4784	3706	1611	0	0	7518	2382	7571	0	7397	0	0	4711	0	Peptide	0.29166666	1.25	0.16666667
6	C24 H30 O7 N4	487.21872	487.21954	-0.05074962	487.2187	2999	1932	1994	2679	623	1344	2518	3641	583	1271	1681	1894	656	0	2522	4869	2472	852	2266	3035	3016	2864	3001	5819	3764	0	1416	0	4285	4124	3356	3762	4790	3548	2846	3580	5239	1359	5095	2188	3155	2016	0	0	0	1838	2203	0	5869	4952	3092	2978	939	0	1100	0	1171	4847	1423	1765	3704	2528	0	0	418	1002	1975	6179	0	0	0	3536	3789	2680	2520	3500	0	2744	3346	10885	3010	2184	1994	2599	0	0	4125	1818	1191	7753	21762	8085	9737	4352	3715	0	3379	2253	0	0	981	3239	2012	5449	0	4174	573	0	2741	0	Peptide	0.29166666	1.25	0.16666667
10	C24 H30 O7 N4	487.21872	487.2192	-0.26968572	487.2186	6409	4922	4784	0	1770	2113	6036	6790	1270	0	0	3752	1203	0	4794	3629	3924	2106	1342	3400	2478	5172	4587	6459	3917	0	3711	6626	4800	8756	6895	6998	7714	6076	4319	6082	8789	3942	10513	4764	3493	2068	0	0	0	5577	4368	0	6787	6460	3394	2820	1668	0	3009	865	1116	7996	2838	0	0	1609	1073	1876	972	1505	0	7310	0	0	0	4061	6359	5375	6023	3935	0	3604	4619	40467	2867	3027	3418	2547	1229	1120	5267	2204	0	8673	31302	8488	10945	7782	4688	0	5205	6418	1519	1018	1772	8715	3149	4467	0	5942	1106	0	6733	1169	Peptide	0.29166666	1.25	0.16666667
16	C27 H34 O8	487.23264	487.2333	-0.04116859	487.23264	95485	97579	101704	95279	66194	42307	87517	91023	76737	88247	65694	68877	69651	40838	88987	106911	125412	59352	82808	108455	122485	94931	78940	97070	80849	136950	83773	67186	81727	89691	90254	83428	99419	55448	93701	95418	84030	76645	140224	67557	99890	48992	1623	0	0	61961	82601	0	103740	98646	86717	102591	58063	322	92487	66819	57489	103861	67014	85110	109494	47845	78264	64361	44697	65941	50339	135090	101241	127877	182444	61762	71210	94454	105832	101717	0	72207	141034	69782	102247	56374	84269	66330	93139	62381	146916	44805	56595	185194	72783	88816	114680	59714	70254	524	104997	93423	69641	98775	95886	104578	61154	98321	48475	87317	75230	0	96184	70474	Phytochemical	0.2962963	1.2592592	0.0
26	C27 H34 O8	487.23264	487.23328	0.009596272	487.23264	128824	126758	119143	118816	149861	82746	51253	114972	149420	199114	144085	64838	188633	83178	96691	110901	63919	155465	182466	276176	262495	121179	97613	123049	99074	318303	41825	141358	97499	95466	86285	86507	110860	81128	274420	97172	136407	73215	77781	162449	134780	71071	0	0	0	112151	89261	0	103161	91698	120225	120364	107867	0	161578	161499	70455	114451	88611	54556	116506	90771	165467	123217	50635	145840	104049	78970	301372	430620	405743	87621	77348	83495	62602	82023	0	68899	136469	70747	101233	73255	71387	112484	171024	85978	115477	65272	77940	81681	109910	117016	160992	80245	115528	0	114964	131948	96427	160309	168591	109532	62391	116667	74888	83115	109303	0	79913	149814	Phytochemical	0.2962963	1.2592592	0.0
24	C27 H34 O8	487.23264	487.23325	0.039647207	487.23267	392010	406061	372836	388762	406979	258831	175951	299820	403631	747049	475444	175915	504097	217734	284951	318672	197651	403258	542674	824514	741704	376490	296496	366142	260436	970132	151041	453464	276749	262040	263754	296331	350392	256333	910003	283844	389714	219413	208545	510863	367690	201760	8912	0	0	365155	255609	0	295188	250718	390195	366914	301552	0	475578	339473	188035	324263	272317	157051	336339	331034	485032	358578	153926	389135	240639	236531	799343	1319026	1180183	288051	249671	233220	172985	250947	0	216338	402920	204743	315331	212004	219040	335040	429029	233917	340571	196248	243435	245988	346790	371969	441845	239856	337187	2619	368236	381135	279496	363157	365311	332362	173755	360166	206959	281894	300650	0	225193	483176	Phytochemical	0.2962963	1.2592592	0.0
14	C27 H34 O8	487.23264	487.23334	0.010297395	487.23264	38935	40792	30050	35034	15391	10388	28388	37735	19569	21153	20965	27509	11960	9047	25210	39491	61466	8055	24089	26155	25405	25571	28227	44956	29072	32145	27857	15594	26531	30476	28548	37225	29141	16138	29322	36309	24270	29091	45924	21977	30837	20444	0	0	0	24172	26927	0	36190	30995	36305	29684	14740	0	24603	19535	19393	31358	24476	41574	24459	13861	21815	21336	14476	13639	16627	57372	32218	29746	35766	17381	21388	31171	33988	31993	0	24490	46242	0	36498	18531	29236	14824	31359	15881	50283	9235	16503	65629	25189	23937	38447	12767	23157	0	32506	30083	21900	31110	25229	29253	24102	41465	0	28720	25101	0	40963	16405	Phytochemical	0.2962963	1.2592592	0.0
18	C27 H34 O8	487.23264	487.23325	-0.015185361	487.23264	278226	265655	245663	229147	209838	124174	190415	227159	189030	269976	223332	171444	201930	120347	195282	284051	258146	161724	260618	344146	345276	215162	203064	263803	170921	445709	191421	198408	221398	212731	213177	257442	257298	193911	286474	234574	224537	195686	292663	212166	250616	132661	5148	434	0	186718	185537	419	239474	211124	251531	251513	181350	596	238043	206007	139234	276484	178197	180874	243730	165538	254024	188745	121517	194454	146661	308911	349108	433731	592065	153110	162944	211662	236378	251252	0	169780	329211	159279	255467	147574	188614	156086	271452	155188	314103	138864	147189	305230	245720	239656	295604	142250	192884	1204	244645	227010	192236	233931	238811	240360	159353	258700	112980	195062	185684	608	228764	201294	Phytochemical	0.2962963	1.2592592	0.0
6	C21 H34 O9 N4	487.23987	487.2407	0.19834659	487.23996	17758	15441	16098	15700	684	6640	0	1651	1157	7643	22051	1086	629	599	1393	2254	0	731	644	0	0	4149	942	1135	862	0	750	299745	1964	840	2289	1782	2273	1462	0	1504	1288	1387	1283	0	0	1186	0	0	0	0	0	0	2108	1198	15996	19430	757	0	0	0	0	2509	0	0	0	0	0	0	0	0	827	1257	0	0	0	1433	1519	2529	0	1339	0	1164	0	117824	919	0	405	0	0	0	1069	0	783	1260	1495717	672085	3322	29403	14144	0	14788	12802	0	0	0	1917	796	0	0	1422	466	0	1157	0	Peptide	0.42857143	1.6190476	0.1904762
4	C21 H34 O9 N4	487.23987	487.24088	0.20603381	487.23996	3626	4693	3897	2684	458	7623	344	1418	326	0	5479	0	0	0	503	1106	0	501	546	0	0	1120	448	830	582	0	0	49515	1039	0	615	1309	659	0	0	0	0	338	949	0	0	595	0	0	0	0	0	0	0	0	3985	3421	0	0	760	0	0	718	470	0	717	0	277	217	0	379	354	0	0	0	0	809	0	1311	0	506	0	554	0	73105	0	0	0	0	0	584	599	448	542	968	340704	118851	1313	8202	3004	0	3750	3739	0	0	0	610	518	0	0	1294	0	0	467	313	Peptide	0.42857143	1.6190476	0.1904762
8	C21 H34 O9 N4	487.23987	487.24078	0.1986775	487.23996	16263	11601	9917	12009	1667	3359	0	0	0	3422	11457	0	0	0	0	0	0	946	0	0	0	3192	0	1590	1457	0	0	97297	2290	1081	1051	1411	1229	1230	0	0	2223	0	0	0	0	1029	0	0	0	0	0	0	0	0	13440	11868	871	0	0	0	758	0	0	0	0	0	0	0	0	1097	902	0	0	0	0	0	0	1351	778	0	0	0	0	52026	0	0	606	0	0	0	0	0	0	0	1314032	624055	2327	25076	5938	0	10647	9370	0	0	0	0	0	0	0	0	0	0	627	0	Peptide	0.42857143	1.6190476	0.1904762
10	C21 H34 O9 N4	487.23987	487.24048	0.019589556	487.23987	5709	5798	5717	5521	4232	1496	0	0	0	0	5906	0	0	2910	0	0	0	0	0	0	0	0	0	0	0	0	0	76144	0	0	0	0	0	879	0	0	0	0	0	0	0	2280	0	0	0	0	0	0	0	0	6947	5526	0	0	0	0	725	2393	0	0	0	0	0	0	804	0	1856	0	0	0	0	0	0	0	0	0	0	0	0	24976	0	0	0	0	0	0	0	0	912	0	754122	287375	0	10760	2639	0	4639	3450	0	0	0	1125	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.6190476	0.1904762
14	C26 H34 O7 N2	487.24387	487.24466	0.19280359	487.24396	7954	3576	5470	4770	0	3491	0	6133	1637	8003	5535	3730	0	0	3658	10259	7398	2614	2793	22568	16488	8741	3551	13389	4847	6749	3833	0	8532	5137	6687	8259	6582	5355	10241	9051	7752	4943	7218	8085	7532	3615	0	0	0	6253	6233	0	6803	5047	5377	5795	3352	0	0	0	838	8416	0	0	0	3845	1399	1417	2106	2373	3102	7062	0	17092	5040	5115	5198	6529	4076	6402	0	4546	3640	0	2455	0	2650	4537	1390	0	3338	3242	2397	15176	13071	6005	11172	3759	11794	0	5556	4939	0	0	1150	9106	3129	9130	0	8753	955	0	3702	2364	Phytochemical	0.26923078	1.3076923	0.07692308
2	C28 H38 O5 S1	487.25128	487.2519	-0.31643498	487.25113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	372	0	0	0	0	4657	0	0	0	0	0	0	0	0	0	0	517	0	0	0	0	0	0	0	0	0	0	0	0	587	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	489	0	0	0	0	0	0	0	0	0	0	0	22329	0	0	0	0	0	0	417	0	0	0	3879	2766	0	980	0	0	0	0	0	0	0	0	0	0	0	0	0	0	350	0	Organosulfur	0.17857143	1.3571428	0.0
24	C28 H38 O7	487.26904	487.2696	0.024096757	487.26904	561396	572368	522927	545523	769598	354932	332689	447020	639964	682279	693898	307623	591062	352577	426118	549929	438843	542991	862872	932486	862767	421208	424326	511234	397677	1347299	315154	694329	427722	422547	388933	475724	617261	374138	825671	496438	601519	357966	473739	609072	579368	318676	11608	0	0	388434	349010	2245	482399	395919	546913	545935	532327	0	826539	604356	324660	542337	410620	306108	498424	382539	634062	586319	270353	549076	399589	466199	1034440	1360177	1421991	356038	366878	397028	391033	446852	0	335122	642698	337132	487327	294846	375091	448606	872682	456715	600527	321172	421350	423819	514013	559725	560198	356089	455697	2452	515263	557703	463076	728424	808777	639073	291291	581813	282254	425727	658396	0	372368	609309	Lipid	0.25	1.3571428	0.0
28	C28 H38 O7	487.26904	487.26962	-0.03109803	487.269	51573	49850	48615	41019	79446	24876	41948	45014	56755	51305	55743	23456	69078	35657	33091	44727	43659	42327	75180	65502	66055	46840	40937	44263	44971	133378	43874	63766	49487	48172	41545	43337	60605	38874	75641	53614	52208	35360	42231	45736	53206	32077	1846	0	0	39556	29200	0	43494	43388	51973	51237	49808	0	82370	71878	32285	53391	36266	22149	54721	31147	67886	50934	30850	57688	41244	45431	105918	128187	153007	28026	28107	39628	24733	37233	0	28032	64935	43324	39385	28403	34918	49457	90973	41961	74434	27829	30627	41876	49504	50143	56364	39070	34248	0	52531	53046	48354	107447	98588	66905	27153	54485	29448	49518	62396	0	36033	52007	Lipid	0.25	1.3571428	0.0
18	C28 H38 O7	487.26904	487.26962	-0.07699956	487.26898	61216	64870	54128	58364	58487	31747	55177	59792	56609	37604	35046	48168	48197	42287	57126	85274	98625	37685	67670	48811	45626	43797	51980	55807	50227	60262	67020	45013	48995	54696	48208	63452	66406	36105	44503	69389	49736	58821	115185	26987	45035	33758	559	0	0	29695	38078	0	61258	55028	58916	60438	44615	0	77714	70373	51184	60950	39475	54041	62625	20316	67042	53912	37619	40508	36074	117108	46203	59879	88465	20825	32240	58203	85008	70481	0	36936	102305	38882	78050	33718	52032	29095	116111	61211	100152	33864	42125	103598	51295	54565	66081	26470	28606	0	61224	53431	62080	104311	117773	72006	40221	49236	21855	42775	68866	0	66852	43622	Lipid	0.25	1.3571428	0.0
26	C28 H38 O7	487.26904	487.26968	0.023596998	487.26904	294501	289633	300688	270833	408935	173253	158489	303890	367612	347207	381062	147953	367360	193642	251534	290594	220281	322755	482731	529862	502644	283472	241659	289209	282086	743208	159314	412635	300278	273520	245304	283636	347139	215480	504605	322636	377289	217543	211921	362325	314012	199934	4401	0	0	243807	215468	0	260979	249993	314343	287810	288743	0	479471	399864	186627	304757	243294	156498	311229	224570	355247	305709	145030	304073	247104	233928	631683	802473	737134	216636	215814	261785	191557	240542	0	190175	319429	221651	232519	179775	233485	267653	482745	268297	342994	173166	213716	215837	296347	349867	354687	209292	254848	0	305934	322364	257045	462488	469749	367749	147228	347408	202630	224751	369597	0	223739	324521	Lipid	0.25	1.3571428	0.0
6	C22 H38 O8 N4	487.27625	487.2762	0.13005717	487.2763	0	804	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	556	0	0	2886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3430	0	0	0	0	0	0	0	0	0	0	57212	65685	1081	0	0	0	0	641	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.7272727	0.18181819
14	C22 H38 O8 N4	487.27625	487.27704	-0.035771046	487.2762	12385	14003	15829	15723	1796	1666	6032	0	1248	10667	56388	0	0	5102	0	0	10848	0	0	2235	0	0	0	0	0	0	13485	78310	0	0	0	0	2832	0	0	3491	2405	0	10196	28420	8448	0	4759	861	749	15520	14524	1186	0	0	11316	12403	0	1261	0	0	2065	2782	265111	20179	30591	69542	4721	0	2435	4551	5572	9583	0	6064	2498	1439	1364	1509	2911	0	799	0	0	22209	0	1979	2747	0	0	0	0	0	0	0	13679	6124	0	12797	0	630	13374	9968	1036	0	0	3677	1207	65383	1776229	0	0	1456	0	0	Peptide	0.36363637	1.7272727	0.18181819
12	C22 H38 O8 N4	487.27625	487.27713	0.21224643	487.27634	2134	0	2405	3254	0	0	3828	7882	0	2274	0	2502	0	0	1377	2757	22168	0	0	0	0	0	0	0	0	0	6285	0	7494	2523	5313	4874	19459	8910	0	7839	11945	1203	25930	0	0	0	0	0	0	0	0	0	7735	2717	0	2557	0	0	0	0	0	3166	0	0	0	0	1230	0	0	0	0	41717	0	1122	0	4485	5669	3245	6779	3659	0	1309	0	0	0	0	0	0	0	0	0	0	0	0	29831	8846	0	0	0	0	3445	2257	0	0	0	9883	1704	0	0	3343	0	0	0	0	Peptide	0.36363637	1.7272727	0.18181819
8	C22 H38 O8 N4	487.27625	487.27698	0.30846483	487.2764	1616	871	1051	1083	0	3106	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5070	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1173	1517	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4469	0	0	0	0	0	0	0	0	0	0	103234	139736	0	0	0	0	1304	1043	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.7272727	0.18181819
10	C27 H38 O6 N2	487.28027	487.28094	0.029368863	487.28027	4353	4444	5673	4088	0	0	3090	53685	0	1352	1266	4344	0	0	2704	11820	10061	0	0	2929	3421	0	1851	1405	2039	0	3084	0	13528	34191	43523	9737	5486	10949	1953	8565	7991	2938	5479	4861	0	1601	0	0	0	0	0	0	57093	44000	7605	5562	0	0	0	0	0	7368	0	0	11292	1060	0	0	0	0	0	28113	0	1369	0	53516	8572	5139	10084	12769	0	3134	0	0	1972	0	0	1998	0	0	0	2392	1817	1374	0	0	2426	1026	1143	0	5709	5743	0	0	0	7431	3366	12642	0	7788	0	0	1260	0	Lipid	0.22222222	1.4074074	0.074074075
6	C29 H42 O4 S1	487.28766	487.2883	-0.395793	487.28748	0	0	0	0	0	1158	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42224	0	0	0	0	0	0	0	0	0	0	19738	12077	0	2441	0	0	848	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.13793103	1.4482758	0.0
26	C24 H42 O8 N2	487.3014	487.30145	0.29518515	487.30154	0	0	0	0	0	0	2593	0	0	0	0	0	0	2613	0	0	0	0	0	0	0	0	0	0	0	0	5017	0	0	0	0	0	0	0	2097	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53371	0	7182	1419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3386	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	1.75	0.083333336
18	C29 H42 O6	487.30542	487.30606	0.031199712	487.30542	4382	2532	4196	4451	2831	2341	8877	3403	3143	0	0	2827	2914	4505	2189	8296	17196	0	3629	0	0	0	0	0	3495	0	7943	0	3494	4639	2976	3989	3548	0	0	2902	2488	4749	24577	0	0	1538	0	0	0	0	2055	0	1603	2677	2596	3345	3365	0	3698	6912	5219	6309	0	2720	2991	0	2940	1529	4610	0	1957	18273	0	0	2967	1309	1571	2697	11643	4903	0	1123	8246	1744	3752	0	2723	0	10594	5125	12156	3131	1518	13002	0	2205	2491	0	0	0	3079	5062	5062	15030	15212	2569	0	3679	0	2830	5817	0	7643	0	Lipid	0.20689656	1.4482758	0.0
20	C29 H42 O6	487.30542	487.30603	-0.02023936	487.30542	21753	26225	22364	23229	24920	12453	35826	27048	27412	1920	8914	22614	16128	26364	25208	37096	78135	13137	41619	6481	5690	9547	15879	13306	19531	8369	42197	10660	26661	30495	24131	31160	28544	19614	5776	31488	34020	27785	83042	5442	9684	16037	553	0	0	7534	13234	0	32453	23284	22483	30235	26457	0	30447	36273	17329	39701	12541	20761	28248	3335	17562	21568	28394	11305	20498	86224	8216	6432	8529	10105	16727	26041	63556	32859	0	16789	44714	18650	28643	7196	20148	0	57092	37491	55082	14660	18446	73805	24318	21383	31571	6761	11862	0	22373	31166	25329	55038	65430	33380	19042	25891	7745	21199	44758	0	37571	19678	Lipid	0.20689656	1.4482758	0.0
14	C22 H46 O11	487.31128	487.312	0.0429578	487.3113	16121	24418	19966	22503	11321	10431	6134	12556	11301	81603	76405	7741	8476	7049	5884	23698	6777	6537	3146	8309	8432	8686	4593	7441	5138	3593	8730	72885	7714	6726	7749	9149	12186	12270	28176	5576	9086	7424	8685	33229	25604	6666	33783	15072	10097	21037	17814	15239	17185	8332	20602	19684	14096	14950	4289	5645	11562	15273	274936	14377	0	40178	11946	7957	7522	14590	6420	10330	0	10351	13765	16038	12727	7157	7537	10916	9891	7156	8219	108549	7787	9350	6064	7622	8802	8485	6154	13215	6430	8753	1399636	583101	10809	27940	12425	14938	17101	13103	14656	6279	5241	6525	8500	29525	622220	13628	6014	16184	5990	7647	Lipid	0.5	2.090909	0.0
10	C23 H42 O7 N4	487.31262	487.3132	0.07536766	487.31265	4536	3262	3185	4903	0	10006	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	71329	0	0	0	0	0	0	0	0	0	0	0	0	0	1386	0	0	0	0	0	0	0	0	3190	4349	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	305813	0	0	0	0	0	0	0	0	0	0	620131	257613	0	24683	0	0	2299	4919	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.826087	0.17391305
12	C23 H42 O7 N4	487.31262	487.31323	0.18795525	487.3127	7689	5664	7963	6408	0	11916	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	221532	0	0	0	0	2674	0	0	0	0	0	0	0	0	1213	0	0	0	0	0	0	0	0	6027	6138	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	435111	0	0	0	0	0	0	0	0	0	0	668720	540990	0	27940	2824	0	6857	6368	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.826087	0.17391305
22	C30 H46 O5	487.3418	487.34232	-0.077678666	487.34177	9264	8068	6605	6249	7017	4532	26280	9320	2466	0	4310	8065	2160	11393	10243	22708	69047	0	3540	0	0	0	3971	4884	14674	0	21938	0	7453	14273	8961	15834	13563	5381	0	11269	6742	12320	64808	0	0	4386	0	0	0	0	1447	0	8819	16135	6801	8078	6761	0	1811	6465	7505	14997	1394	5740	7429	0	0	2932	12504	0	8235	81062	0	0	0	1917	3947	10020	34808	11669	0	5131	16804	11383	7570	2219	6256	0	15456	11470	31830	5215	5514	63566	3378	5054	12290	1915	0	0	8048	11091	10376	14837	17955	16021	9230	3136	1660	8118	12256	0	18422	1507	Lipid	0.16666667	1.5333333	0.0
22	C22 H17 O12 N1	488.08234	488.08307	0.06349667	488.0824	8707	4920	6271	5104	13358	8103	0	0	14665	12919	3952	1947	27286	0	2053	2323	2741	25204	13816	10399	15114	30045	3895	6634	2063	2221	1657	0	1952	0	1516	0	1483	0	10583	1964	4425	3022	1607	8353	12680	3423	0	0	287	10034	21826	0	0	0	10684	7443	10066	0	17101	15170	4290	2911	2168	1387	3463	6746	19502	19281	4913	14485	3371	2022	2962	1988	2336	1154	1110	0	0	0	0	1546	6359	17611	5489	10653	0	3046	18549	8381	4327	4400	6113	3870	0	0	8624	37404	35902	0	5031	7629	9571	11388	16292	3711	1239	1852	18992	1972	10381	0	1550	29484	Phytochemical	0.54545456	0.77272725	0.045454547
26	C22 H17 O12 N1	488.08234	488.08298	0.0627756	488.08237	5251	3522	4188	5777	6572	4093	0	0	11371	11371	0	0	21075	2971	0	0	0	13750	10965	5733	7837	19893	0	0	0	0	0	0	0	0	0	0	1777	0	9049	0	1810	2914	0	3048	8070	0	0	0	0	0	13757	0	0	0	5063	2915	6819	0	15122	0	2970	0	0	0	0	4851	21404	12734	0	8685	2354	2362	0	1866	2193	0	0	0	0	0	0	0	4997	12908	5592	5211	0	0	16209	0	3393	0	0	1719	1486	3556	4572	18125	26262	0	6714	0	4409	8482	7744	0	0	0	0	1884	6390	0	0	20861	Phytochemical	0.54545456	0.77272725	0.045454547
14	C22 H17 O12 N1	488.08234	488.0832	0.16995811	488.08243	5541	2968	7339	3932	12105	2990	0	0	12576	10749	7116	0	14478	1932	1453	0	0	7689	6279	9722	18855	37506	2754	0	0	0	0	0	0	0	0	0	2003	0	25259	0	0	2079	0	4383	20829	2160	0	0	0	9531	17242	0	0	0	5517	5024	4846	0	15557	7565	2609	0	0	0	0	7428	33681	14355	2321	15088	2189	1737	0	1701	3970	0	0	0	0	0	0	0	2609	19995	2181	11469	0	1790	13181	0	3372	3220	1936	0	0	0	0	38487	20126	0	7009	3869	8873	15220	14842	1935	0	0	16967	0	8170	0	1400	21823	Phytochemical	0.54545456	0.77272725	0.045454547
16	C22 H17 O12 N1	488.08234	488.08313	0.14178823	488.08243	5107	5596	7465	8461	12128	3936	0	1724	11107	21532	12069	1086	37299	2961	2065	0	0	12885	9169	12815	24966	36957	3223	0	0	0	0	2508	0	0	0	0	2747	0	35951	0	0	2011	2178	14061	31360	2820	407	0	0	11095	37471	0	0	0	7020	9500	9480	0	24317	19399	5348	0	0	1900	0	12281	46348	19483	3355	28694	4428	1865	3378	2350	3902	0	0	0	0	0	0	1219	4444	29364	4821	18841	0	1952	19425	7010	5531	3864	3597	0	0	6125	0	47875	34783	0	9383	10026	12113	25590	20519	2608	0	0	21045	0	17833	0	1974	27470	Phytochemical	0.54545456	0.77272725	0.045454547
24	C22 H17 O12 N1	488.08234	488.083	0.06467308	488.0824	4811	5157	5097	4957	5136	5184	0	0	12337	11601	3224	1679	16482	4347	2020	3368	0	13177	7282	4532	10925	22608	3677	2348	1582	1374	1095	0	2012	0	1303	0	1906	0	10616	0	2831	2019	0	3756	5892	2030	0	0	0	5966	15465	0	1095	0	6418	4814	4974	0	19091	10541	4628	1273	0	1279	2851	3016	18625	16535	2887	8681	4543	0	0	0	1777	0	0	0	0	0	0	0	6683	12949	4653	8277	0	0	11516	4287	2845	2846	5289	0	1374	2509	0	24227	27790	0	4556	5138	5986	9064	7289	1778	0	0	6651	0	5717	0	0	21097	Phytochemical	0.54545456	0.77272725	0.045454547
18	C22 H17 O12 N1	488.08234	488.08313	0.17369613	488.08243	14337	9271	10372	13205	16347	7915	0	0	16705	23954	7386	1545	35322	3715	3614	2934	0	18361	23346	10495	26793	49248	4348	1363	0	1509	0	3105	0	0	0	0	3206	0	35828	0	3761	1662	2509	12685	16812	4250	764	0	0	17090	32513	0	0	0	13434	6932	8915	0	23376	22500	7056	3108	2228	2650	0	11491	40836	21134	6791	20027	8371	3048	3165	2673	4107	1407	0	0	1830	0	0	1247	8668	30107	5075	22183	0	5582	25524	8563	6496	6670	6299	5566	0	6449	5967	51469	52805	0	10697	10207	13877	15962	23915	3452	0	0	21952	3107	14267	0	0	38248	Phytochemical	0.54545456	0.77272725	0.045454547
28	C22 H17 O12 N1	488.08234	488.08292	0.043873526	488.08237	5946	4815	5373	5032	8556	5468	1231	0	10612	11995	1710	1337	19937	2736	0	2738	0	15235	10816	5974	9923	17567	3979	1942	0	0	1451	0	0	0	1330	0	2700	0	13010	0	2323	1835	1251	4942	5466	0	0	0	0	7186	13589	0	0	0	5360	4928	6902	0	14068	9829	3223	887	1559	1636	2350	5065	22638	9704	3385	12790	3078	937	0	1658	3206	0	0	0	0	0	0	1015	4226	10058	4163	6433	1028	1716	12968	5883	3594	3121	4489	3460	1472	2219	3817	18254	21493	0	5811	7095	3574	6718	8722	0	1318	2403	5998	2881	5862	0	2903	17147	Phytochemical	0.54545456	0.77272725	0.045454547
20	C22 H17 O12 N1	488.08234	488.083	0.067275114	488.0824	16446	12575	5774	7106	22699	11966	1946	1817	20665	17401	8837	1884	39631	3970	6264	0	1621	37822	29936	12198	28654	36822	6363	2293	0	0	3293	0	0	0	1680	1665	4057	0	29685	1593	4276	2137	1518	13270	13164	10238	0	0	0	15544	36472	751	0	1526	13014	9658	10229	0	29109	22903	8839	0	1857	1932	3175	13893	43063	24063	8397	17438	6092	1968	4190	0	2699	1491	0	0	1520	0	0	1460	7664	35525	5583	15101	1387	0	21469	13669	4473	7813	6973	5838	4419	2842	6902	56169	53421	0	8410	11761	15861	17786	26539	0	1171	4176	21804	5798	14246	0	3022	39235	Phytochemical	0.54545456	0.77272725	0.045454547
22	C19 H21 O14 N1	488.1035	488.1043	0.25414744	488.1036	0	3063	0	2295	7003	8265	1300	0	8987	0	2035	2244	13469	0	0	1970	0	8302	0	0	4148	2579	3747	0	0	0	0	0	0	0	0	0	0	0	3966	1162	0	2541	0	0	0	3372	0	0	344	12246	47685	0	1399	0	1820	2604	3250	0	9870	5871	2518	0	1872	0	0	7566	7560	7569	4902	4170	1469	0	4999	0	2461	0	0	0	2483	0	0	0	0	3007	1669	14745	0	1437	5581	1288	0	2677	2928	0	0	0	0	5435	2472	0	2686	3665	9336	4487	2797	1450	1563	1532	37520	0	8317	0	0	16382	Phytochemical	0.7368421	1.1052631	0.05263158
26	C19 H21 O14 N1	488.1035	488.1043	0.026041089	488.1035	2984	2820	3374	4206	7233	5724	0	0	7207	4809	3742	0	6460	0	0	0	0	9729	5527	0	10228	3926	0	0	0	0	0	0	0	0	0	0	0	0	2954	0	0	0	0	2825	6118	0	0	0	0	12433	47302	0	0	0	3824	0	4559	0	0	0	0	0	0	3360	0	6944	3345	6320	0	1834	2169	0	0	0	3661	0	0	0	0	0	0	0	0	0	0	20814	0	0	5124	0	0	0	0	0	0	0	0	4013	0	0	2771	0	5781	0	0	0	0	0	39192	0	0	0	0	14777	Phytochemical	0.7368421	1.1052631	0.05263158
24	C19 H21 O14 N1	488.1035	488.10428	0.27498668	488.1036	2510	3240	2951	3335	4758	4350	0	0	9508	0	1626	1582	8327	1964	0	0	0	8435	5149	0	6090	4539	2076	0	0	0	0	0	0	0	0	0	1184	0	0	0	0	0	0	0	0	1866	0	0	0	8310	42789	0	0	0	2930	2429	2512	0	3929	4026	1036	0	0	1631	0	4251	6024	5297	1882	3996	2295	0	2144	0	0	0	0	0	0	0	0	1520	0	5756	0	15492	0	0	5112	0	0	1482	3304	0	0	0	0	5805	2799	0	2616	2030	8544	2171	0	0	709	0	37174	0	3665	0	0	12388	Phytochemical	0.7368421	1.1052631	0.05263158
10	C19 H21 O14 N1	488.1035	488.10434	0.13596278	488.10355	12124	10696	9124	5162	31402	8708	0	0	36400	3086	10076	8468	56506	5808	2588	4854	8522	48132	40546	0	23846	20548	16038	4780	0	0	0	0	0	1970	2766	0	4874	2346	11092	2098	4157	3410	2616	4964	12642	16256	0	0	0	10294	48736	0	2276	2646	7248	14184	15248	0	38464	56944	11254	2376	0	8432	0	7234	68910	38422	9240	35630	14428	4538	0	0	5044	3038	0	2646	4898	2574	0	3732	7498	9938	5858	10252	1882	0	68806	16078	4042	15776	11610	6378	0	0	5182	21032	15498	0	11436	14928	36524	48040	50964	7248	4276	0	0	4388	38222	0	0	60280	Phytochemical	0.7368421	1.1052631	0.05263158
14	C19 H21 O14 N1	488.1035	488.1043	0.18404871	488.10358	10712	10712	6751	10248	33948	15495	2342	2145	43036	5931	9635	9910	82746	9438	8934	2554	6924	42248	46408	12113	20979	16751	17829	6373	0	0	1555	0	2287	2345	3133	0	5465	2246	10261	2548	6499	4877	3241	2696	14152	20012	0	0	0	19328	64796	0	1525	1531	9711	10096	24036	0	44627	51580	17888	2061	0	5269	0	15499	68914	46288	21022	31029	14980	3717	0	1499	3667	2454	2166	1634	5719	2352	0	6867	6791	0	10147	20131	1447	0	59945	17629	3381	14009	14519	3592	0	0	5101	32573	8003	0	12257	19821	39544	40052	44121	10254	6207	2167	55884	5599	34142	0	1951	57706	Phytochemical	0.7368421	1.1052631	0.05263158
26	C23 H21 O11 N1	488.11874	488.11945	0.021830263	488.11874	4613	3306	3610	4106	7096	5390	0	0	12545	24047	4506	0	11774	0	0	0	0	10266	7106	13091	16227	20219	0	0	0	0	0	0	0	0	0	0	2892	0	24156	0	2120	0	0	7903	7101	0	0	0	0	9642	21025	0	0	0	5964	2867	4780	0	12017	6294	0	2059	0	0	0	6864	12034	5890	0	7756	2459	0	0	11361	4221	0	0	0	0	0	0	0	5469	8331	0	6106	0	2983	8517	0	3665	0	2197	1524	2335	0	0	17433	34281	0	3868	6291	2778	5098	4711	0	0	0	7043	1636	5333	0	0	18721	Phytochemical	0.47826087	0.9130435	0.04347826
24	C23 H21 O11 N1	488.11874	488.11935	0.05494965	488.11877	9224	5023	7765	8775	8120	5694	0	0	13322	36686	7229	1110	19220	3842	4022	2109	0	13528	11788	16255	23270	28215	4688	0	0	4260	1436	2511	0	0	0	0	3393	0	26751	1633	3786	1713	0	11838	11590	2352	0	0	0	19466	26715	0	1583	0	6961	4704	6993	0	15376	10814	2407	1235	1064	0	2242	7840	20464	11124	2850	9171	4415	0	5820	7989	8342	0	0	0	0	0	0	1135	5821	18873	4984	13414	1428	7896	15843	4953	4757	1651	4260	2052	2458	5829	2119	29857	40389	0	8575	5804	6684	6833	8048	3374	938	3955	15036	2984	5605	0	0	22982	Phytochemical	0.47826087	0.9130435	0.04347826
20	C23 H21 O11 N1	488.11874	488.11935	0.001242118	488.11874	23471	25440	29073	27113	35322	19126	7563	4236	32539	100648	34300	7155	44969	16110	11112	6860	10104	42078	36873	67506	67754	84601	9037	10831	7684	24220	4772	19224	4169	5133	3013	4653	7018	4010	120549	5357	14244	11036	6496	57392	35705	13985	1322	0	0	68106	81520	0	5565	3782	22329	22848	19886	0	46560	25073	16260	7531	7754	5306	7230	48012	64622	35733	13866	34437	12855	8139	25325	39611	37401	6296	2409	0	2989	4497	0	3464	22492	54027	11214	41077	4669	33344	34772	20807	19343	11780	18099	10386	10939	20443	14870	77864	100067	0	28660	30622	25269	27560	28353	8748	4863	9442	49569	10240	24676	0	8054	53128	Phytochemical	0.47826087	0.9130435	0.04347826
14	C23 H21 O11 N1	488.11874	488.1195	0.089753546	488.11877	27558	33887	18806	24843	24108	12826	4605	6863	35538	115858	55735	6294	46523	10066	8285	8689	6349	26218	32887	71794	88990	82251	11296	8387	3298	32180	5402	37945	4940	4190	5256	0	7645	3305	143904	3762	8971	5320	6072	54651	64730	5938	0	0	0	51627	75236	0	6520	5268	27683	20657	18824	0	42335	27881	11277	13560	9639	0	0	39949	57135	32151	10776	36749	13821	8443	54738	46201	61664	3749	2214	2501	3752	4415	0	3562	14548	74186	12683	41947	7742	26447	27878	14363	16968	9818	8611	13912	10394	15386	14071	80110	88910	0	25102	26457	21228	32873	28823	7695	4608	9669	37257	7373	22223	0	7044	48551	Phytochemical	0.47826087	0.9130435	0.04347826
22	C23 H21 O11 N1	488.11874	488.11932	-0.013956084	488.11874	15761	10644	14579	16862	16660	13279	4344	2755	25946	57949	18907	2130	31546	5500	3815	3948	4149	20451	17644	28243	36097	55747	9864	3573	5343	10403	3057	11333	2176	1110	2212	0	5392	1566	64565	1332	6522	7657	2552	28035	25991	4033	0	0	0	44239	54858	0	2909	1703	20892	13954	10018	328	26862	12658	6234	3511	3051	2819	5234	25064	34751	21363	6070	15447	6443	0	19850	21907	17116	1904	0	0	1638	3260	252	2332	8685	34453	7447	37329	1463	15229	18834	14513	10907	6773	5131	4331	7813	13163	6146	45253	79611	0	13480	18722	13418	17897	15492	5681	3002	4609	29300	2055	15206	0	2532	35070	Phytochemical	0.47826087	0.9130435	0.04347826
12	C23 H21 O11 N1	488.11874	488.1195	0.10451938	488.11877	13005	15648	11247	12773	18330	8198	3140	2120	20239	60691	37098	4096	29707	7695	5106	5342	2389	13930	21340	33686	48084	45152	3466	4161	3068	18006	2765	19161	3831	2578	2211	2859	7884	1947	96962	2530	4373	3646	4726	36607	45204	4871	0	0	0	36597	53407	0	3186	1805	10243	13516	11419	0	24960	15854	8746	5903	0	8251	0	24682	40403	19703	7211	18203	7674	0	30880	27403	44310	2442	2238	1209	2175	2120	0	4397	10804	26714	5834	26775	2915	15722	19477	6416	8530	4791	7350	8343	4735	5291	15281	52820	34119	0	14524	24284	18550	20646	20070	3723	3258	4070	25599	5159	15073	0	3744	35269	Phytochemical	0.47826087	0.9130435	0.04347826
28	C23 H21 O11 N1	488.11874	488.1193	9.98257E-4	488.11874	3856	2692	3853	2780	5725	2947	970	0	5419	18126	4600	0	9547	1335	0	0	0	8030	8520	8279	11339	11007	2750	0	0	3348	0	2312	0	0	914	0	1456	0	19691	0	1838	1226	1127	5737	5201	0	0	0	0	9369	11514	0	0	0	4694	3230	3687	0	7943	3272	1018	0	1216	0	2103	5523	9503	6228	1677	6088	2118	936	3176	8397	9215	0	0	0	0	0	0	1307	4090	9351	2505	5143	1427	4247	5704	3646	2708	2301	2166	1107	1354	2666	3093	11729	25972	0	4220	3841	2993	3586	3889	2970	0	0	6632	2154	3141	0	1251	12459	Phytochemical	0.47826087	0.9130435	0.04347826
16	C23 H21 O11 N1	488.11874	488.11948	0.07970571	488.11877	41699	38950	37230	34082	37685	22017	4500	8602	44637	150666	71600	6624	64615	18440	10966	8910	7408	54586	48196	84111	106555	108628	14393	6843	6323	35964	4887	32665	5592	5561	6534	5596	13986	2635	181259	3622	16534	11542	7542	77112	64720	11381	997	0	0	67829	81135	0	5922	5526	32487	33218	23632	0	51840	34935	15766	11309	13045	10621	13319	51266	70052	37586	11577	43709	21573	6827	51319	50133	61426	3896	3206	1595	5042	3356	0	6231	21737	76489	11532	57428	11765	37066	44158	21115	26309	13449	14860	0	22202	31224	0	105256	132909	0	39864	35812	34904	36829	34366	13403	7421	16188	52796	13791	34847	0	12233	60991	Phytochemical	0.47826087	0.9130435	0.04347826
12	C20 H25 O13 N1	488.13986	488.14062	0.07488333	488.1399	74085	64683	63818	67988	78812	55218	45140	68917	124300	83796	79835	53275	163167	31043	63056	57260	69662	159002	157871	136637	171033	137445	96747	64473	26612	12415	20882	32139	56833	50122	52211	39415	63470	45452	133978	55784	55720	57285	47622	74376	124678	69376	2291	0	0	195269	374153	0	35485	69171	71126	57035	62160	325	168305	98835	49189	46186	65817	63840	57166	101948	163899	116692	47235	99787	62613	56933	80073	32304	62103	50393	46110	57166	48598	38186	0	52520	55171	107823	57800	146450	26466	25300	125493	71647	49516	49397	54044	54861	11611	38450	75198	138561	92114	0	73717	112396	116957	77778	83884	89107	52303	64863	307780	51598	107804	340	27469	142030	Phytochemical	0.65	1.25	0.05
8	C20 H25 O13 N1	488.13986	488.14078	0.14557363	488.13992	17013	14458	10513	15773	15914	10936	6284	16459	23860	14102	18273	11821	33548	5711	9576	17669	23570	28276	27828	19978	31633	22944	18378	11199	2767	1954	7260	3457	9876	11703	7605	9816	18097	7687	28516	12372	14079	12317	17556	10077	24781	19334	0	0	0	23670	56751	0	10089	11104	15515	14681	13452	0	27073	28735	15180	6260	8417	17941	16418	9608	38562	25711	8975	25230	11571	20390	10137	3950	11699	6709	12375	9434	19365	6887	0	7580	11693	11688	14517	15788	4089	3410	33407	11132	11019	12791	13139	17035	0	0	22162	23527	20758	0	15157	22313	26717	26991	31201	16852	10911	15870	24267	13130	26927	0	4991	31278	Phytochemical	0.65	1.25	0.05
24	C20 H25 O13 N1	488.13986	488.1405	0.09243786	488.13992	11855	7731	9614	5168	13899	14713	2010	3207	11107	18254	6307	6347	9507	1965	6435	3347	5199	20181	10017	17715	30566	9635	9160	4205	2811	0	1465	0	4358	2893	3673	4819	6993	2873	9421	4387	4497	4746	5521	11254	18815	2656	0	0	0	57106	121512	0	5311	6151	7730	8511	9041	0	8343	5810	3349	2902	5364	5475	3028	21090	6710	7840	3052	5674	4966	3544	8632	5110	15096	3559	6275	6077	6718	3521	0	6588	5680	11140	5262	51130	1826	6374	8816	6826	2731	3136	5233	3327	2543	2681	4914	9569	11524	0	10618	8142	12825	2604	6812	5879	4476	1914	73591	3591	11717	0	1827	13362	Phytochemical	0.65	1.25	0.05
10	C20 H25 O13 N1	488.13986	488.14066	0.079534136	488.1399	45728	38095	34634	41780	43961	27914	15675	36774	62991	53671	43271	33017	100255	20258	26140	38661	40532	80753	70260	65954	83406	64586	42819	40871	11824	8282	22294	12978	30499	30101	24024	28241	35158	21546	61152	31320	32445	28573	34505	38366	61674	37916	1312	0	0	75202	163233	0	23995	36754	44195	36952	34272	0	79875	56685	26083	24893	28096	34918	53172	35927	77746	58984	25539	58843	32539	40844	37401	11861	31820	27903	24348	31720	31493	22765	0	23473	31741	37959	33675	59162	12847	9646	72073	33771	29970	28989	27955	23022	8793	19083	43850	64209	67991	0	43766	54956	56385	49503	58980	47857	25249	38274	139217	29089	61356	0	14988	69280	Phytochemical	0.65	1.25	0.05
28	C20 H25 O13 N1	488.13986	488.1405	0.038265858	488.1399	12758	7723	11806	7546	8375	13101	1825	5224	8675	23510	9113	4137	11068	3556	4706	3193	3672	16855	10764	29441	44206	10556	7106	4948	0	3761	2759	0	5438	2733	4969	3273	7768	3450	22051	6191	5721	3042	2758	17913	19963	6152	0	0	0	58440	93811	0	5095	5554	10439	8014	7349	0	8204	3169	3393	3518	4834	3461	2140	22381	8991	8596	3604	6656	7266	3158	18537	15596	23168	7201	3829	6851	4969	3723	0	5163	2123	7290	2560	42517	1285	5372	7168	3222	2227	3189	5434	1800	1609	6618	4579	9154	8326	0	10362	9750	10186	1541	2606	4121	4113	6030	60715	6228	6708	0	2016	13291	Phytochemical	0.65	1.25	0.05
16	C20 H25 O13 N1	488.13986	488.14056	0.057511292	488.1399	92197	92418	83319	90878	127868	97078	38237	78411	151685	101456	71338	62745	230402	47285	91284	69377	50349	219911	193601	155499	208639	123278	110093	73827	36190	37291	28955	33638	66907	61633	63964	65534	79307	47352	133789	66663	75602	59492	39595	107190	113774	81061	4179	413	437	311354	544631	0	48754	70472	93642	100367	91085	542	201777	119364	65359	51494	82860	49143	68167	120999	160916	136145	58256	109855	74879	37222	114662	55762	79849	58988	55225	69177	55303	49230	552	58828	58117	144836	48385	284356	30203	42604	138080	79941	43897	59164	67883	30995	28248	61384	84448	116808	115439	989	82267	120852	127811	73040	88531	91155	58173	64534	394503	74969	131944	412	24757	198257	Phytochemical	0.65	1.25	0.05
26	C20 H25 O13 N1	488.13986	488.1405	0.011102813	488.13986	8142	9695	9842	8617	8755	10701	0	0	9512	20704	6146	3154	5730	0	0	6079	0	13138	6292	22198	39505	9147	6900	6512	0	0	0	0	0	0	3519	0	3875	3176	18514	0	3442	2932	0	10840	14449	0	0	0	0	60877	101513	0	2905	0	10905	8838	7845	0	5654	0	3504	2592	3724	4443	5520	16044	7489	5172	2831	3860	3883	2828	10722	11482	14567	6023	4043	0	0	2763	0	4248	0	6217	0	42749	0	4296	8172	0	0	0	4378	0	2541	5680	0	8870	0	0	8693	10268	11486	4518	0	0	0	0	61741	5405	8832	0	0	12413	Phytochemical	0.65	1.25	0.05
26	C24 H25 O10 N1	488.15512	488.15573	-0.06838913	488.1551	5055	6320	9179	4732	5254	4604	0	0	6714	29666	7358	0	11028	3821	0	0	0	9545	6997	9886	17702	12430	0	0	0	7132	0	3893	0	0	0	0	3284	0	27578	0	2997	0	0	9356	9596	0	0	0	0	10780	13614	0	0	0	6547	3578	4753	0	8368	0	0	1858	0	0	0	8315	9152	6407	3028	9207	0	0	11210	17874	20364	0	0	0	0	0	0	0	3270	8990	2769	4820	0	4184	7187	0	4239	0	0	0	0	2907	5844	9311	22049	0	5250	5350	5054	6152	4949	0	0	0	6007	3317	6667	0	0	9795	Phytochemical	0.41666666	1.0416666	0.041666668
14	C24 H25 O10 N1	488.15512	488.15585	0.043870483	488.15515	42045	51273	35896	35117	35782	18881	12126	24423	31179	157997	91594	15010	49826	18663	20995	23609	12800	36042	36762	125290	128082	91284	18262	32701	21339	94013	15471	59292	15449	16700	19856	18667	31423	13995	200749	14491	22736	13982	16515	87848	89060	15166	0	0	0	73448	81375	0	22206	18996	41131	42293	20435	0	46531	27622	15249	28152	29363	22375	30739	65873	52326	32254	8558	34838	20979	15784	85794	120084	108534	19313	17751	15338	11717	21713	0	15629	27449	62412	16765	49956	20261	58939	28368	20109	30716	12835	21222	34811	35993	35303	35093	62116	90483	0	39875	43500	25572	32728	30759	21729	13726	31394	50217	21853	24009	0	20086	49990	Phytochemical	0.41666666	1.0416666	0.041666668
12	C24 H25 O10 N1	488.15512	488.15588	0.07869048	488.15515	29861	22522	20226	25501	15867	11719	10223	14474	26069	95529	51596	9074	27596	11447	11964	14036	9912	23354	28466	73741	77861	56204	16502	16262	5222	46161	9064	28986	13719	8169	13220	9458	18560	7818	140875	6629	10893	9919	12291	62115	63577	8353	0	0	0	54746	61385	0	13243	13571	32650	28184	15206	0	30871	19347	7931	16079	13839	11015	0	48197	34931	25430	10328	24398	15853	11600	57942	73070	78914	11224	7744	10162	8672	6579	0	8336	18305	28369	13891	25770	12829	33228	22486	11521	19625	7895	7836	26770	16418	22494	25873	55309	52475	0	22023	31452	22930	19057	18612	13318	9639	18222	32833	13712	16592	0	12644	31582	Phytochemical	0.41666666	1.0416666	0.041666668
10	C24 H25 O10 N1	488.15512	488.1559	0.11292462	488.15518	15748	17060	12504	13209	12090	7715	5545	8026	12421	70139	36313	5184	23112	7316	5058	7086	4717	18151	14764	44856	48450	42248	5117	10965	5073	26218	5814	20426	4369	4630	5439	5104	8953	5067	85540	6460	6878	6537	7925	39191	35829	5092	0	0	0	25664	39046	0	8134	7169	17260	18256	8900	0	17780	10727	4250	10891	4051	9978	0	26405	17442	12002	2653	14502	7159	6775	31704	42561	46415	6599	5083	6223	5077	6409	0	4070	12750	19204	8677	21054	5455	18963	10396	6481	10129	6635	5646	11755	9026	10870	14088	32986	34928	0	13681	12827	12469	13522	10541	8340	6624	9436	20633	8270	8644	0	6556	17093	Phytochemical	0.41666666	1.0416666	0.041666668
8	C24 H25 O10 N1	488.15512	488.15598	0.06480115	488.15515	9930	8691	8350	7799	7251	4362	1907	2840	9571	39498	18549	1461	12521	4027	2134	4936	4381	7481	7872	19808	32625	16541	4635	5176	3264	11275	2550	11009	3314	1624	2685	3660	3366	2669	46234	2996	3365	2990	2449	13276	20992	3206	0	0	0	16365	22613	0	2669	2843	7812	6169	5608	0	9310	6966	2077	3857	1600	4102	6391	11108	9539	7491	2695	6742	3711	5348	19156	17927	22714	2304	3132	1623	1913	3886	0	1524	5162	9742	4852	8962	1925	8656	7329	0	6085	2934	3398	7372	0	0	6597	19048	22661	0	10260	7165	3999	9418	7895	2735	2339	3934	9510	3856	4860	0	3034	7984	Phytochemical	0.41666666	1.0416666	0.041666668
22	C24 H25 O10 N1	488.15512	488.15576	0.05116953	488.15515	27035	23778	28101	24078	26561	20933	7749	8558	29742	99738	45677	5128	41390	15881	9838	9346	4896	39666	34165	75058	77587	50601	11687	16349	9953	54122	4333	35860	8919	3748	6045	4734	11974	6329	105215	4810	10250	8594	5682	46892	40451	6647	0	0	0	56946	60882	0	6516	6321	26819	27994	19209	0	33057	26446	13694	9273	13182	7930	11518	38980	45243	24653	10199	28921	15232	4706	43734	66839	66234	5997	5215	3524	3298	4292	349	6694	15032	35211	12069	38074	8104	33984	27221	15408	21643	12608	13802	10111	10729	20534	19777	51819	74534	0	24067	24992	29659	25628	26428	12223	5979	14757	42578	9551	24438	0	9986	42150	Phytochemical	0.41666666	1.0416666	0.041666668
18	C24 H25 O10 N1	488.15512	488.1558	0.0495804	488.15515	62791	61864	56438	62995	53265	44706	20732	28920	58905	250027	139029	16760	93507	36975	22492	28762	15987	74446	69825	184564	182372	131943	32955	33319	26815	121590	16865	90510	20639	17718	22220	27035	35892	20511	295313	15341	32810	20158	21448	146915	96844	26895	1135	0	0	115244	101443	0	20983	20357	66612	53361	39730	296	71864	55665	26474	33432	31038	22091	34896	92996	92092	52554	24782	60112	37487	23697	117042	169730	165968	26769	15327	13414	13420	20363	0	14987	35762	80257	32814	76844	26305	92896	56600	34242	41669	31389	30371	28873	49808	61310	51849	102908	154252	0	61244	65871	46909	42143	45458	32169	17587	40507	66257	27900	38899	0	29032	74054	Phytochemical	0.41666666	1.0416666	0.041666668
20	C24 H25 O10 N1	488.15512	488.15576	0.028960677	488.15515	55466	52407	49705	43712	49876	36301	11324	18964	56180	220061	94564	11456	73861	27802	19518	23585	14590	62592	61054	126112	130012	96441	24472	26621	21027	100695	12687	69269	15536	11952	13912	14225	24653	14549	227461	16993	28908	16993	12341	102609	79283	22179	1592	0	0	93954	88406	0	15128	15327	37823	49390	35229	256	66935	43392	27178	24709	23338	11998	23154	71583	62900	47106	19748	51183	31361	12429	87624	125392	120340	12315	14461	8467	12443	13717	286	17480	31557	64740	19172	60410	17878	99746	50823	29678	30715	22542	26324	27500	44749	50236	37279	96334	116961	0	53621	44565	39920	35558	44711	28349	12556	24098	65838	19785	38366	0	18594	77876	Phytochemical	0.41666666	1.0416666	0.041666668
24	C24 H25 O10 N1	488.15512	488.1557	0.008895052	488.15512	12901	9794	8145	9315	11599	6454	1767	2226	16661	51090	17631	1127	18503	7941	4160	4722	0	16247	16629	25330	28475	25299	4937	4255	2288	19907	2629	7403	3950	0	1858	1725	3748	2264	49508	1542	5785	2921	2926	24384	19761	4470	0	0	0	23894	26601	0	4067	0	10511	9721	7995	0	14029	11090	5882	3412	4274	2841	4867	17619	21312	11251	3164	14144	5555	2782	22647	36190	28314	1623	1975	1787	2280	2235	0	2559	9531	13698	6942	15767	1965	12642	16594	8446	3420	3853	3888	2528	5458	6389	7578	22714	37567	0	10805	12774	10353	9932	8832	5123	3089	6615	16685	5276	8590	0	3382	18783	Phytochemical	0.41666666	1.0416666	0.041666668
6	C23 H25 O9 N3	488.16635	488.16724	0.06984126	488.16638	10469	11917	11828	11906	7290	4115	5190	10338	6939	15281	7846	8328	12891	2998	5505	15251	8786	10555	10999	13277	18680	16931	9203	14542	5287	3110	5468	4062	9045	8775	7396	10568	11442	7755	19909	8837	11722	6545	13697	14791	21493	5356	0	0	0	14173	25164	0	11517	9523	10931	13223	5386	0	10423	7131	4904	10151	4619	10212	12131	12014	11117	8257	5152	8815	7054	14877	7473	8944	12435	8669	6744	5858	4060	8092	0	6042	10554	7463	7839	10381	6383	6862	8193	5337	11932	6197	7499	18814	14437	15169	20129	11622	15412	0	10540	10636	4789	10506	11332	11672	6167	9301	8421	11394	5134	0	8111	13659	Peptide	0.39130434	1.0869565	0.13043478
10	C21 H29 O12 N1	488.17624	488.177	0.007200799	488.17627	47902	54418	43489	44336	33157	25568	32902	74406	40131	82136	49166	40203	54922	22489	47192	62347	51809	58993	60541	104241	96895	60042	60881	70306	29885	34672	33409	21910	57235	66111	46238	49326	48235	47209	86372	61048	57588	44103	41939	57991	55622	38626	1061	0	0	96215	130005	0	51027	69689	49687	50732	31397	0	65631	40567	25652	39054	63512	46241	65044	46670	48887	46800	21127	37630	34427	42554	65005	42691	50900	51967	46881	62444	32908	49021	0	34820	45722	27249	44164	61582	32796	35574	55535	34501	34240	27916	34170	37263	26035	34549	66262	41180	60671	0	51250	69463	40935	32727	39329	65756	38322	70886	106489	46378	42644	0	30016	53130	Lipid	0.5714286	1.3809524	0.04761905
14	C21 H29 O12 N1	488.17624	488.17697	0.043505747	488.17627	203434	204041	183769	205128	148098	161499	139423	303253	229955	326973	183716	131405	289669	90927	247755	225130	171222	309792	301045	466132	471794	279353	254834	290465	179946	152063	104313	135206	260084	240785	185949	225212	213693	174424	411131	280035	190649	167216	121766	244318	180865	154520	7956	898	485	551408	517935	484	164989	255684	179594	182589	143619	908	364649	155166	95457	183758	328984	140113	279411	248592	239879	221657	103989	173636	155646	114640	236185	230889	169744	199230	186720	269090	151606	170586	343	173700	158978	200338	157795	353655	130793	145313	197206	166023	126174	109703	133940	103466	119299	165035	259635	177940	239651	2077	202253	301865	175510	125090	145466	257436	144113	323105	548416	153836	175287	457	110542	239429	Lipid	0.5714286	1.3809524	0.04761905
26	C21 H29 O12 N1	488.17624	488.17682	0.061689574	488.17627	4635	4961	6177	5126	0	7603	0	0	5177	16937	6452	3567	7321	0	0	5175	0	7407	6523	25488	26039	6790	0	8289	0	0	2124	3127	0	0	4991	4723	3621	4190	15112	0	4946	3891	3051	13876	6866	0	0	0	0	26783	24039	0	5334	0	5608	5336	2913	0	4824	0	4720	0	4460	3148	0	10093	5157	4716	0	2718	2459	0	0	10509	8654	5831	5274	0	0	3977	0	3521	2821	0	0	14994	3098	5239	0	0	0	0	0	0	3144	4158	5450	2942	0	0	6204	7062	2722	0	0	0	3821	8717	16963	2311	0	0	3266	8506	Lipid	0.5714286	1.3809524	0.04761905
8	C21 H29 O12 N1	488.17624	488.17712	0.13233794	488.17633	71071	76193	57425	67237	32963	31065	40321	76817	40759	101497	51229	36866	67568	19545	47906	66739	61163	51077	68675	105246	97289	110411	20340	27782	36441	25355	43549	30932	48152	61380	54062	67106	68220	47830	117489	53116	65766	42804	80141	100399	25191	41068	0	0	0	98895	49695	0	68174	64591	71627	78484	40773	0	63744	15824	33820	70138	50765	57243	86436	61025	60564	49669	23613	54028	33215	79168	34578	52376	78369	63004	17697	49200	49203	19052	0	41661	68034	43209	48858	53780	47429	56075	46095	27422	55108	39942	39146	90886	37542	69219	112604	59093	80684	0	74941	76177	38984	54025	61070	66164	42763	77471	67727	67748	41696	0	44955	58858	Lipid	0.5714286	1.3809524	0.04761905
28	C21 H29 O12 N1	488.17624	488.1769	0.076353654	488.1763	4465	4421	6843	5073	3390	4684	1586	5597	2217	20684	6113	2363	4808	1401	3461	3213	2391	6592	5702	23486	23589	4491	4454	4682	2033	7496	2377	4374	5735	5112	4634	7000	4091	5150	16817	5864	4503	2487	2859	9179	7920	0	0	0	0	20709	20760	0	4677	4215	6871	4145	2577	0	3668	2591	1214	3180	3707	2214	4641	8025	5736	2834	2097	3737	2798	2470	8290	17205	10669	5479	4089	4072	2409	2702	0	4194	2627	2319	2721	12245	3290	6354	2945	2885	2499	3602	1927	2316	4790	4732	4150	1990	5172	0	5435	8577	3397	0	1986	2360	2770	4818	16579	4740	2444	0	1752	7178	Lipid	0.5714286	1.3809524	0.04761905
16	C21 H29 O12 N1	488.17624	488.17694	0.029449977	488.17627	267945	266877	268519	248880	209582	219545	137581	354872	308865	433635	186580	159546	426311	111292	315338	260559	147885	468683	448697	624929	559098	332236	311013	308521	214340	192141	121877	135031	329124	282499	280954	248617	269612	215681	549682	316482	261553	206111	129528	356280	202533	183745	7725	1175	820	718976	553311	688	252389	312344	264641	249908	200496	1355	513437	206412	131959	196298	327272	119584	322348	267632	323893	265505	106827	232626	182444	112072	235340	301846	214936	304477	259413	352996	169406	244837	0	212622	174524	209062	175472	436386	171946	194045	253312	180492	147863	137746	176624	122056	157260	239856	373725	195717	316125	2821	265345	339905	216939	135127	165394	302401	159009	301201	492390	261387	241907	1033	155874	339475	Lipid	0.5714286	1.3809524	0.04761905
22	C21 H29 O12 N1	488.17624	488.17688	0.006701272	488.17627	68634	66936	73052	57366	68184	72558	26372	100818	67024	152099	55374	48060	96346	20000	73930	65094	39430	119264	83090	152308	188177	60208	69424	74080	45584	70060	20706	61003	71124	70388	68082	64206	51466	56202	121874	88284	82431	56710	36256	110738	62157	36796	0	0	1428	263166	249257	0	63594	87862	61030	80385	56170	912	110572	54582	34302	48548	60740	28308	71742	83352	77040	69324	38084	45124	44454	22086	86172	137208	84989	79122	70404	89876	51160	57402	1146	60622	63954	47907	48180	172909	39580	63439	80710	43448	43044	25826	43636	20677	54969	49248	74444	43614	70790	0	72210	85340	63912	34936	34590	52630	52732	75320	203554	45866	66274	0	36664	82738	Lipid	0.5714286	1.3809524	0.04761905
10	C25 H29 O9 N1	488.1915	488.19226	0.010770103	488.19153	23253	19034	15755	16699	9890	8491	6702	12257	9375	62005	35578	6950	13071	5451	6059	13160	9226	11951	14446	51056	56887	31468	9429	15147	7910	40354	6592	22207	9544	7075	8236	10739	14216	7987	70805	11447	13434	6554	10544	40839	30562	5949	0	0	0	25580	26498	0	12942	7246	18680	16837	10058	0	14306	7284	4543	13290	4212	10672	12576	23270	12038	10029	3726	12767	7657	10144	34989	52501	49675	8238	11431	7695	6993	6998	0	7547	7026	16553	7245	12223	7143	25277	11186	3926	9705	7332	6758	21057	8791	16453	24176	21309	37033	0	13119	16103	10226	7014	8457	12138	5777	13520	0	12574	7249	0	9856	11695	Phytochemical	0.36	1.16	0.04
12	C25 H29 O9 N1	488.1915	488.19226	0.04477029	488.19153	21588	27479	26966	26404	14644	11849	18247	29139	18769	68152	40538	10164	17456	8904	13883	16686	13336	18633	24663	73976	77492	40144	16828	22394	16116	51404	10574	41493	17886	12338	19781	15017	22343	11539	92365	14601	21377	14385	17812	56453	53416	10441	0	0	0	44102	28509	0	13493	16085	27832	27982	14549	0	17099	12778	7450	21940	12581	12749	0	33426	20366	14517	4899	16870	12476	24540	38246	82987	82022	13712	11443	14502	14186	16408	0	12353	22139	19450	16413	17905	12586	35072	15835	7425	16866	10384	13027	44570	13509	29051	28084	28177	35855	0	24074	26871	12567	13838	13040	17516	9718	22412	0	21382	8294	0	15708	19495	Phytochemical	0.36	1.16	0.04
28	C25 H29 O9 N1	488.1915	488.1921	-0.010805118	488.1915	7163	6523	9247	7101	5805	4575	2130	6060	5252	12631	6407	3526	9263	3590	3077	8806	4513	6986	9411	8303	10172	12027	7844	15516	5546	12761	1518	5859	2346	2799	2885	4488	8180	4476	14180	3804	5370	3087	4172	8906	10828	2570	0	0	0	5629	5952	0	4132	3186	8405	6103	4209	0	7987	4585	2352	9846	2926	2359	8001	4073	8114	6163	2073	6183	3834	6794	12718	20323	24011	4164	3844	0	4439	3883	0	2426	6582	3466	6241	3121	1445	5019	6686	2236	10089	4820	3394	18187	5343	8437	15512	7329	9185	0	6269	6426	2778	6046	6052	6017	1743	4586	2366	12399	3863	0	5014	8401	Phytochemical	0.36	1.16	0.04
22	C25 H29 O9 N1	488.1915	488.1921	-0.003313388	488.1915	50435	52159	45438	51679	47489	38940	18003	34279	52751	144652	91967	18482	52525	35145	24644	37452	19547	60986	65649	133666	135317	81079	35592	45326	34539	143175	13106	82481	30108	20583	26927	31476	33481	27702	172048	22641	43754	23324	20777	100739	76319	24723	2597	0	0	84638	69485	0	27304	26931	47383	46673	38730	0	47596	44054	25977	39128	27011	17231	37009	68252	65818	46781	25878	53623	31154	21646	126004	167486	159663	27380	23734	17268	14759	25821	0	21657	40945	37882	31051	56202	24177	68935	55821	29288	36358	24702	30278	26521	46759	53431	59430	59726	86681	0	50656	52608	42614	38431	31245	36965	20714	40510	51502	35907	40978	0	29953	76189	Phytochemical	0.36	1.16	0.04
16	C25 H29 O9 N1	488.1915	488.19217	-0.041999772	488.1915	61241	61954	64763	65939	38565	33424	30771	51814	44493	173587	90304	24675	55051	28200	33097	57927	43129	49893	64710	170495	146867	84305	41836	60931	42271	127620	31979	78901	42163	38462	45277	49228	54396	41218	179678	47686	51507	34206	44283	130973	101349	31602	349	0	0	69717	66697	0	56787	41718	63114	70107	37978	0	43485	30212	31192	57227	42234	46427	68313	74569	53236	41777	25417	48316	39951	42695	113511	182968	167006	51646	40863	40821	46668	45583	0	32232	49582	59167	35489	47364	46307	78924	47863	25686	54473	29756	33040	80929	59951	65645	103080	60402	117111	0	69120	71636	35730	31906	34569	58055	28938	57335	45486	62537	38818	0	44866	62311	Phytochemical	0.36	1.16	0.04
26	C25 H29 O9 N1	488.1915	488.19202	-0.0475154	488.1915	9717	13891	12501	12568	9595	6902	1912	6479	14504	24907	11778	3564	17033	9165	0	12725	0	9702	14179	19756	20945	17002	6524	19679	0	22009	3551	8600	0	0	5150	5083	8347	8270	25007	0	11021	6354	3949	16016	14712	0	0	0	0	14859	17280	0	6917	0	11950	9943	9165	0	11044	9017	6763	12326	3707	5927	15282	9472	15727	8574	2504	12092	9899	2971	32271	32565	41873	6094	4138	0	0	2429	0	5062	12449	7490	7569	8073	4421	12543	12502	0	12654	10536	8652	18150	12506	13015	27733	12072	21102	0	10570	13550	7463	8790	7817	8576	4288	7868	0	15693	4684	0	8002	13292	Phytochemical	0.36	1.16	0.04
20	C25 H29 O9 N1	488.1915	488.1921	-0.028326293	488.1915	81277	75594	82747	70609	63529	65898	36085	56438	63558	223543	125088	29931	96589	48428	52701	50899	36686	90821	100823	205978	211237	112323	56429	66841	49932	222801	30766	111944	50392	40552	48089	47459	71797	50104	269508	46820	70813	33647	33179	157169	120602	38706	3037	0	0	107832	98293	594	56261	52149	82074	88761	55905	256	74052	62173	32773	62840	52296	36826	58714	113074	76896	69475	30287	75864	55397	40781	178153	273331	228025	52788	52214	40046	33899	41054	0	36012	56401	69773	41759	59124	43163	124498	68071	35928	54447	44278	46127	63901	79512	93815	99010	81672	114274	0	80691	89954	54734	51532	64452	56933	31410	70079	74101	69640	48888	0	49068	101247	Phytochemical	0.36	1.16	0.04
6	C24 H29 O8 N3	488.20273	488.2036	0.051449593	488.20276	23364	20984	15575	19042	6616	0	11045	17620	8131	13743	7412	9576	9272	4239	13844	21255	14976	8169	13462	15385	0	40228	15692	32590	12766	4795	12159	13566	15070	11555	15788	16048	16155	14068	22040	15692	15715	8401	19751	24625	34432	7735	0	0	0	39106	61354	0	20225	14268	19493	18984	7495	0	9507	12590	5446	24920	6553	16569	20288	12536	7415	7676	4627	9905	7545	25177	6230	9505	15208	0	11629	14037	9566	11874	0	9929	16808	27583	12880	13384	9264	10729	4920	5699	21748	9130	9044	54719	99061	61430	47390	26307	36334	0	19149	15315	4715	19561	22941	18004	9897	25464	9088	20902	6185	0	14869	6486	Phytochemical	0.33333334	1.2083334	0.125
8	C24 H29 O8 N3	488.20273	488.20355	0.04519345	488.20276	35916	40297	24055	36435	11644	0	17872	0	12811	27338	16608	15714	19240	9327	0	33463	23135	14633	23825	36556	27903	42849	24294	41425	23063	6877	16897	16315	26490	21142	22759	0	28159	21917	33956	24051	31909	18266	27455	37835	30770	12507	0	0	0	35340	22374	0	34059	24150	32359	30403	13584	0	18588	25831	13341	30866	13618	18505	24823	19950	9654	17612	7562	17177	14903	35162	8961	20600	12062	24446	21782	0	19026	22189	0	19321	24935	23089	20966	13459	18152	19225	11707	10124	32123	16421	14506	43298	261791	164531	60801	27007	41672	0	30608	28635	9113	30386	35628	31173	15944	36617	10706	30290	8073	0	25303	12930	Phytochemical	0.33333334	1.2083334	0.125
18	C29 H29 O6 N1	488.20676	488.20755	-0.115064695	488.2067	14540	42276	22996	20130	15410	28008	23843	18967	24972	33396	8784	10919	14652	20058	56120	29437	17027	19451	24575	15045	0	20893	27713	30221	28944	1585	24492	9603	27654	17366	26578	43520	66258	20432	17173	54158	32766	16241	15467	37707	9202	14570	0	0	0	34626	22940	0	28033	18799	23054	18670	14336	295	43762	17452	14004	23890	22732	8377	30664	25512	13739	29084	13323	16002	36310	25681	3944	0	0	40916	17830	35362	28826	17317	0	20870	23380	11931	17451	12220	19943	12114	14233	14484	27753	20992	15032	26100	36796	39736	54651	8342	18181	0	25769	21862	26024	11973	15139	26652	14984	24949	23196	31776	13916	0	29378	41018	Phytochemical	0.20689656	1.0	0.03448276
18	C22 H33 O11 N1	488.21265	488.21326	-0.032548647	488.21262	275383	240058	262046	240856	175343	186507	143958	393795	256091	442042	157123	143273	381452	98259	348324	244225	107195	364436	383942	531462	375380	288302	305941	347996	314667	155078	116707	135365	386159	279633	305918	295991	307641	275058	499021	345463	347203	206483	100420	331263	96636	187072	6898	815	501	397724	160521	547	277403	300054	262740	235705	183034	1185	532831	184404	130107	251015	325526	88364	303060	207415	305790	279473	103464	219862	185986	84134	123076	310562	129361	302408	254913	363806	140509	263826	319	231667	187217	123269	185584	188121	192439	149300	204733	167419	167484	113169	175488	88942	214141	319506	412205	113768	234130	2071	257352	310030	171940	105950	131027	300393	179936	373553	184052	224360	159756	542	162605	313137	Lipid	0.5	1.5	0.045454547
8	C22 H33 O11 N1	488.21265	488.2135	0.095947616	488.21268	18842	21352	18360	23468	8434	9984	15884	35424	16438	23230	9358	11622	16612	6578	22866	32504	15080	15474	23976	30246	25380	23522	23256	27548	14076	11062	12122	0	28130	26484	23084	21104	25484	21410	35594	29926	29328	13576	12336	21864	17038	9330	0	0	0	28820	17170	0	24236	20990	29028	19518	13052	0	21028	11910	10670	23036	21376	12472	27948	11150	12446	13400	3840	12246	12580	21394	16426	12318	11452	24624	21094	28168	16310	21872	0	15404	20534	34996	14648	9362	14896	12952	10254	7986	15624	10590	11924	21524	29242	20984	44770	9360	17230	0	22786	22638	9160	10052	12294	24604	15864	40168	0	19284	9292	0	14730	18676	Lipid	0.5	1.5	0.045454547
10	C22 H33 O11 N1	488.21265	488.2134	0.05647467	488.21268	25581	26291	24461	19994	10466	12051	19217	40057	13493	26259	9994	16231	16660	5086	24018	28059	21526	19441	21691	40335	30923	25226	26684	35318	19366	20326	15499	9393	28253	36348	28774	31456	31304	26607	33716	33650	27026	16334	20689	29644	14289	16357	0	0	0	32352	23445	0	32438	36043	23285	23615	11739	0	23636	15525	8934	25828	22613	19295	36294	17907	15551	16241	8818	15206	14528	21799	15330	17340	13807	26291	23291	30783	18555	26277	0	20112	19024	13813	13223	19565	19702	9167	18478	11147	17579	9880	14710	14569	15015	20984	32248	10809	20045	0	25933	28913	9567	12054	14443	29302	15007	37735	0	19016	14120	0	17957	19015	Lipid	0.5	1.5	0.045454547
12	C22 H33 O11 N1	488.21265	488.21335	-0.03516998	488.21262	33859	29905	37387	41591	22693	25296	39322	89933	34792	49747	25869	37782	48820	13480	65413	48725	58747	47345	63423	85369	75083	47970	65162	59975	53444	42559	24679	20319	81124	53606	60517	42544	64535	38388	66888	67280	41855	56025	47436	47847	39735	36791	1068	0	0	79483	56231	0	40743	68986	36663	42991	28378	0	71167	28134	23618	48485	73155	46653	47869	44080	44345	36182	19531	31946	30422	53022	44605	42496	38027	48530	50853	63642	37806	43454	0	46009	46959	23225	50229	43849	51062	28222	42033	33820	42546	18449	27433	36343	31933	42608	75683	25934	32522	0	38591	67869	34702	26902	38743	62035	40139	69764	43704	45179	36656	0	46000	41557	Lipid	0.5	1.5	0.045454547
16	C21 H33 O10 N3	488.22388	488.22437	0.5421882	488.22412	0	0	0	12155	0	0	14975	15695	5890	0	0	0	0	0	17600	0	0	11330	0	0	0	0	12485	16933	14665	0	4920	0	11540	13465	21150	0	21105	16995	18450	15539	18615	14111	0	7745	7105	0	0	0	4357	0	0	0	15050	20247	0	0	0	5352	0	0	0	25540	12782	0	0	0	0	1569	4535	0	9165	0	0	0	0	25645	21285	25955	12623	1465	0	7225	7765	0	7590	0	9810	0	0	0	0	0	0	0	27108	26269	0	0	0	831	8750	14600	5735	0	0	11145	7020	9730	0	0	9235	345	10050	0	Peptide	0.47619048	1.5714285	0.14285715
28	C26 H33 O8 N1	488.2279	488.22852	0.002627894	488.2279	11144	9377	13686	10895	9228	19491	7741	11962	4523	11873	7447	4243	10693	13503	6880	17001	15736	21990	13610	10134	13829	12354	12943	30137	26174	16112	3508	9153	16306	10571	10768	10835	27458	14420	9577	12106	54352	5882	16508	6791	8230	8986	0	0	0	6514	4634	0	10231	6529	10601	11954	11451	0	6140	5973	4326	22633	2532	1949	20939	3670	5708	6624	4172	11481	12668	20107	18455	20925	29998	8945	5629	5198	6794	6856	0	5433	16259	3825	12019	1555	3691	3393	6250	3813	18687	10783	13270	23482	12012	9743	35397	4829	5786	0	11904	12987	3701	7033	6510	21782	3931	5061	0	31500	3248	0	16767	10437	Phytochemical	0.30769232	1.2692307	0.038461536
12	C26 H33 O8 N1	488.2279	488.22864	0.016446276	488.2279	12422	15227	18670	12304	8270	5556	7497	18811	5744	33736	18378	7017	4858	4527	9240	15425	12193	7644	10291	42112	49161	18079	8722	13297	7750	35289	6595	21031	15688	9930	12423	8349	15555	14208	59314	10958	13619	7565	14720	33189	26685	5958	0	0	0	19023	11004	0	12682	11079	14352	11655	7779	0	6731	3343	4170	11486	4985	10669	0	13714	5699	7347	5155	8092	8909	12868	22995	52594	47104	8841	11058	9571	9265	10291	0	9850	11865	0	8585	5511	4988	18223	4322	4157	11504	5284	5831	25463	20101	15698	18848	13831	21023	0	16651	17673	4659	4308	3358	13939	9000	12059	0	13698	4785	0	10935	6843	Phytochemical	0.30769232	1.2692307	0.038461536
14	C26 H33 O8 N1	488.2279	488.22858	-0.04233385	488.22787	21728	28379	26640	22170	8816	10380	15894	18871	11340	44694	30706	11690	8096	10088	13373	21049	28650	6211	13483	58799	57933	31219	17270	24522	17891	47681	13265	25469	17061	18585	19204	17561	19116	16762	55997	21706	22830	12184	25141	35450	42420	14865	0	0	0	21632	30769	0	21076	20943	19352	22275	10908	0	12664	5631	7926	22862	6591	11923	0	22353	9210	11379	8999	11275	14202	25668	37044	55690	59076	15733	14272	16639	19638	16091	0	15919	22907	0	14824	8763	13586	21987	6216	6206	20560	7837	13321	51375	34096	25883	39116	22216	34482	0	16224	24464	8052	7370	7026	21494	9893	21203	0	23624	9060	0	16898	8547	Phytochemical	0.30769232	1.2692307	0.038461536
10	C26 H33 O8 N1	488.2279	488.22864	0.045403756	488.2279	14474	14341	9397	11426	4661	8001	3738	13803	5617	30773	14798	7973	4364	9067	5796	7116	9389	5462	13766	36238	37009	13738	6500	13892	5655	23011	7043	12867	9574	8710	9076	11343	14384	8246	38677	11530	11739	5624	6695	29874	16478	6553	1120	0	0	11107	12812	0	10932	5856	12322	13024	6828	0	4336	3074	5943	13948	0	3668	0	10685	5240	5574	2071	4514	6599	7448	18517	32106	36298	11481	8527	10111	10317	9976	0	7661	6810	8400	5009	4871	2756	10909	4874	5283	9205	3231	3928	14499	21461	11521	22543	11068	22012	0	12579	10882	4956	2433	1863	15616	6671	11396	0	10212	4499	0	6610	2191	Phytochemical	0.30769232	1.2692307	0.038461536
16	C26 H33 O8 N1	488.2279	488.22855	-0.056469053	488.22787	44467	46228	41581	43256	16654	19816	24528	40579	17908	71623	44566	22623	14479	17794	27631	48785	35555	21117	31129	85107	74454	49050	33267	48538	21545	68825	30712	42707	30621	29239	30260	40004	42948	25737	64515	35565	40865	23114	47459	53562	56073	22417	287	0	0	43258	33993	0	44248	34566	42759	37300	20473	0	21096	11286	16552	43089	28536	29753	46040	35195	20345	13332	13422	17637	22710	41952	53119	85058	85781	27275	32124	32878	42068	35775	0	24652	37826	26931	24908	27327	28323	35765	15787	15271	36790	23907	25299	68217	47001	39215	77221	27819	52051	0	44236	39617	16680	12031	15026	46304	21404	40427	20084	38499	22087	0	27756	24210	Phytochemical	0.30769232	1.2692307	0.038461536
26	C26 H33 O8 N1	488.2279	488.2285	-0.06854172	488.22787	25344	28726	23935	25301	26106	16718	23704	20945	21481	31698	25332	9231	31896	32055	26585	24259	7796	36120	35110	29025	39260	30126	34604	46778	70479	54356	7939	25403	27116	15471	23181	16439	57237	18883	39854	20633	67947	22591	11862	24109	21591	13948	0	0	0	20479	16164	0	20912	15686	24563	21007	23233	0	19186	16502	12192	36630	9833	5379	36934	16019	23054	16517	8737	27507	22722	12063	59551	57281	72038	19071	11710	11813	7613	13356	0	14174	52367	11679	48452	11767	12521	19612	17418	13382	54187	23174	24399	25253	19502	21705	56163	11002	15289	0	23752	24824	12504	21531	20206	38149	11214	15129	7638	51942	12106	0	66538	31534	Phytochemical	0.30769232	1.2692307	0.038461536
24	C26 H33 O8 N1	488.2279	488.22845	-0.038455736	488.22787	45859	48010	48496	53825	49330	32193	15282	38317	43601	95143	69012	19652	57871	28800	29173	44191	28246	50748	64553	117277	109496	47923	39641	50299	33833	148675	13909	70943	36762	31900	31733	33396	42052	31797	116910	36140	52999	18464	21542	82696	66347	29949	2488	0	0	60825	51171	0	38470	31360	47832	47196	43426	0	44495	34338	23174	43207	35638	22738	45157	56333	53282	34617	17627	57144	33342	26888	132333	180600	172511	34598	35263	27588	19324	31237	0	23866	38920	24379	30605	36117	30029	56644	48700	29204	38616	26532	31534	42364	38961	51051	70393	37609	60803	0	46595	49473	33977	32674	41062	41766	20586	49201	34451	41032	32013	0	30362	55595	Phytochemical	0.30769232	1.2692307	0.038461536
8	C26 H33 O8 N1	488.2279	488.2287	0.055787038	488.22794	5517	5493	5746	9625	1836	2485	4210	9616	1833	14074	9193	4697	2454	1151	4521	10080	5404	2936	4632	24365	27163	12482	6061	6993	5688	10791	3326	7080	5415	5586	6508	5499	8950	3344	20433	6782	9181	3480	5597	11884	4829	2958	0	0	0	8361	5670	0	7070	6954	7516	5534	3705	0	3262	1870	1635	9144	0	1387	8058	6765	1642	3559	1592	2065	3738	6527	9507	16548	18326	5898	5309	7036	5592	4778	0	5148	5049	5037	4821	2281	2325	10936	1041	0	6356	3171	2961	9734	0	0	11550	6622	11704	0	6376	6751	2726	1755	0	8057	2602	9907	0	5649	0	0	4281	3257	Phytochemical	0.30769232	1.2692307	0.038461536
16	C19 H37 O13 N1	488.23376	488.23422	0.34578076	488.23395	9604	17273	0	13043	12884	5467	13828	17180	9296	7149	10330	13126	7330	0	14218	20859	24703	7915	13794	21296	20849	7552	11489	13891	7802	0	17599	15801	12295	12682	0	13996	17050	4726	15361	16989	6119	14233	26311	11680	0	10220	987	1074	613	10000	13735	1045	17218	22691	16562	12255	10218	536	11670	14350	8595	17367	11730	15747	15555	5627	12266	10677	3867	10481	8263	26673	19751	18829	27427	5493	11968	14638	17086	19855	420	10566	21573	9760	0	8351	15017	8759	19110	8199	25965	6020	8707	0	10228	13661	0	5039	9574	906	14406	15325	12085	15867	17837	22399	10013	11383	6842	15923	9753	904	23382	11311	Unclassified	0.68421054	1.9473684	0.05263158
14	C19 H37 O13 N1	488.23376	488.23434	0.01710619	488.23376	13600	0	9488	15528	10464	0	11320	15500	12576	0	17940	18340	5284	0	15185	31748	36600	0	11040	8692	12532	0	9092	17384	12940	29208	21852	75176	16756	12472	14308	0	19242	14262	14496	25104	10816	17848	21464	6984	28536	12006	5572	5492	3026	10040	21076	4942	18824	20383	0	22140	3584	2568	7900	8784	12630	30780	0	0	0	0	0	6032	9912	0	6592	35708	0	12128	29056	12696	0	9732	35240	12128	3242	11792	31472	0	0	4220	20372	14196	10840	0	36704	0	8372	20748	18532	15072	25532	0	0	4958	0	23568	0	19564	10736	0	16056	27436	0	12512	0	5128	14428	9532	Unclassified	0.68421054	1.9473684	0.05263158
6	C20 H33 O9 N5	488.2351	488.2362	0.40113673	488.2353	834	1464	0	677	0	990	0	869	0	0	0	0	641	0	805	1258	0	0	0	0	0	0	0	1135	0	0	0	5254	0	1160	588	0	0	0	0	0	0	773	0	0	0	616	0	0	0	0	0	0	0	0	878	0	512	0	0	0	0	0	0	0	0	0	0	0	0	910	0	0	0	0	0	1612	0	1392	0	0	0	0	637	53270	0	4717	0	0	0	0	0	634	0	0	34580	12747	1381	5314	0	0	1042	776	0	0	0	0	0	0	0	669	0	0	544	0	Peptide	0.45	1.65	0.25
4	C20 H33 O9 N5	488.2351	488.23602	0.4254837	488.23532	1124	1202	774	584	0	0	0	0	0	0	0	0	0	0	570	0	0	0	0	0	0	0	413	621	443	0	0	5419	0	0	475	0	0	0	0	0	0	231	0	0	0	0	0	0	0	0	0	0	0	0	0	836	0	0	0	0	0	462	0	0	0	0	234	214	0	574	0	0	0	0	0	0	471	578	0	0	0	0	0	93525	0	0	0	0	0	255	0	0	0	0	53851	14196	573	5420	0	0	471	646	0	0	0	0	0	0	0	306	0	0	0	0	Peptide	0.45	1.65	0.25
10	C25 H33 O7 N3	488.23914	488.23993	0.14484282	488.2392	6075	7142	6067	9007	1876	4872	7569	7952	3295	4209	1975	3152	960	1351	8586	7104	3350	2665	3879	11205	7427	10558	6136	11335	10217	2242	6257	0	8132	7577	7794	7032	5926	6019	9733	5871	11514	5502	5963	12901	6793	3237	0	0	0	10199	4364	0	7355	5524	7912	6282	4001	0	2541	3574	2482	7537	0	0	0	7125	1122	2308	1176	2176	3370	4075	0	5093	4662	6353	6151	4520	2234	5967	0	4986	9395	0	5929	1847	2602	4837	1204	2774	7797	3502	1875	8049	14811	14826	20460	3653	13060	0	6846	8727	2975	1989	2798	9020	5612	6136	0	10604	1134	0	9535	1812	Lipid	0.28	1.32	0.12
8	C25 H33 O7 N3	488.23914	488.24	0.15526037	488.2392	4752	4478	6252	6437	1408	2026	5999	7228	1569	5109	2902	3303	1200	0	5707	5490	3590	1211	3014	6602	7259	9096	5191	8534	8772	1009	4544	3497	4893	4144	6726	6265	7312	6060	6721	5482	8001	4804	3939	9055	4921	1633	0	0	0	8923	2125	0	8130	6431	3792	7642	2396	0	3076	1540	2035	10166	0	961	7589	5708	1604	1679	1836	1749	2174	6540	0	5346	0	4901	5495	3937	3490	6042	0	4260	4422	0	5450	2298	3794	4702	0	0	5914	2022	2832	7736	0	7123	20864	3019	9718	0	6154	5073	0	1567	2404	7262	3389	10035	0	9947	0	0	7835	0	Lipid	0.28	1.32	0.12
24	C23 H37 O10 N1	488.24902	488.24957	-0.06544763	488.249	13868	10178	12468	12203	9074	15562	4056	18254	14608	29920	2847	2439	24815	10712	18565	11500	3476	28574	30818	28497	16268	14286	16576	16451	13969	3725	4398	5665	14687	9654	16513	13896	21141	16809	33750	13868	28863	11511	0	11039	1922	7252	0	0	0	10296	2609	0	11623	11175	15835	12073	7104	0	32494	11250	6501	11087	15492	1677	15071	8054	26409	13223	6413	20853	12410	7379	0	16346	5377	14889	17543	16169	3514	12054	0	13600	7913	0	7110	5260	9253	6056	10011	6144	5765	6930	9813	2902	21539	23930	28464	4226	6482	0	15720	11701	5164	3873	6640	14688	7462	15592	5936	13795	4958	0	8339	26772	Lipid	0.4347826	1.6086956	0.04347826
16	C23 H37 O10 N1	488.24902	488.2497	-0.0357329	488.249	45864	30028	44512	43919	22125	24845	49881	68094	28048	33709	20606	44050	37707	14296	72367	55276	50699	40723	61971	51191	34557	24090	57300	58723	50906	15533	39338	23518	66298	71859	57513	63154	59978	42507	21550	74213	53849	49022	51437	28329	9627	33182	930	0	0	33214	19047	0	62544	63581	43422	38437	29708	376	51454	36806	29262	56984	40970	18514	63218	18536	41758	31764	19252	32309	23903	40049	11148	21364	15521	46277	56010	82343	48621	54573	0	42754	45048	17568	33669	21366	44458	19906	39312	31998	42904	21344	32563	0	32767	37955	79140	15970	25380	0	37640	54988	22245	26693	34085	69765	43447	60187	18988	59393	30201	0	39551	32116	Lipid	0.4347826	1.6086956	0.04347826
8	C23 H37 O10 N1	488.24902	488.24985	0.05276421	488.24905	4835	1659	2945	3462	1081	1023	2265	1907	877	2779	1790	1909	2456	0	3829	5160	2379	1138	1305	1545	1582	2134	2418	3217	2596	542	2335	3488	4308	4907	4236	6169	5384	2447	3107	4589	3656	2308	2850	0	0	1178	0	0	0	0	0	0	5632	1834	2342	3219	1412	0	1219	1051	1031	3618	0	955	0	0	1126	1263	0	1184	1760	2978	0	0	0	2173	2906	7328	1682	3623	0	0	2170	42103	1529	0	2130	1715	1202	0	2201	723	1417	4095	28294	0	3369	0	0	0	2767	2604	1312	0	0	2685	1790	3262	0	1881	0	0	1111	1416	Lipid	0.4347826	1.6086956	0.04347826
14	C23 H37 O10 N1	488.24902	488.24973	-0.016240817	488.24902	12628	20270	12908	10640	5698	11922	18179	29264	13905	11270	5350	7870	9599	3920	23725	25268	21704	14597	19009	14079	11855	10685	26128	22934	23716	8639	12008	0	31387	30131	22368	20831	21584	17034	9758	38715	17778	17695	14835	9384	5795	15209	0	0	0	13861	7125	0	21371	27301	14544	11463	6594	0	18469	14534	6217	20718	18804	8217	21512	5232	12018	9985	9179	8263	10412	14639	0	7771	5140	19173	17733	33538	28333	15659	0	17861	18290	0	12248	10815	14044	8925	14792	12114	17011	8111	16226	13774	14284	16999	22017	4767	5079	0	15414	19359	6897	9963	12948	28723	13203	23159	0	16266	7970	0	14131	11091	Lipid	0.4347826	1.6086956	0.04347826
28	C27 H37 O7 N1	488.26428	488.2649	-0.018653514	488.26428	5189	4679	4819	4301	10614	954	1915	3136	4798	4831	6493	1176	9484	1559	3604	4892	3639	2926	5861	6717	7171	4223	1963	3536	4301	20687	2209	8699	5224	3238	4337	4955	5893	2779	6492	3231	8800	1123	2544	5175	7569	2349	0	0	0	3988	2627	0	3736	3563	3562	4057	8050	0	6764	3088	1432	5920	1753	2991	3820	3093	4594	5675	2106	4434	3334	4540	22881	18475	26009	2443	2823	3510	0	2899	0	2094	4925	2768	1878	2255	2273	7439	10089	2751	7944	2442	1948	8684	3562	5786	7268	4667	2172	0	4456	4356	4623	11096	8282	6288	1920	3679	3290	3837	8812	0	2415	3613	Lipid	0.25925925	1.3703704	0.037037037
24	C27 H37 O7 N1	488.26428	488.26495	-0.03742501	488.26425	69193	63487	74401	72992	86249	46566	37874	63287	56759	100400	98504	37227	65606	39278	48361	160030	54584	56533	95469	142756	139005	68117	55401	76416	54697	231036	30959	100790	66468	61110	51133	63857	71178	66214	108459	62422	77475	41140	59474	103127	101123	50314	0	0	0	74089	66148	0	64026	56805	71011	68427	65982	0	66625	53948	31761	80132	45405	42116	82123	61853	56463	57180	27701	70965	54995	56967	188641	201840	224454	64269	57067	52598	37698	59669	0	44913	63104	50854	45479	47868	43386	70155	75771	44025	73427	41048	53058	84743	82124	89387	105480	49830	70193	0	75664	75649	84934	56717	59384	83703	34622	85218	50663	72920	63066	0	49302	115802	Lipid	0.25925925	1.3703704	0.037037037
18	C27 H37 O7 N1	488.26428	488.2649	-0.060508065	488.26425	18863	23949	16633	14444	10962	6128	14105	20660	5687	16968	14304	12855	5774	5919	13533	25280	25927	10740	12277	24215	27275	12113	9235	27021	9748	44545	18878	17328	17609	16168	16377	19005	27542	13645	7194	17932	20288	15963	31652	19519	20743	9803	0	0	0	14439	11825	0	20127	13098	15373	16027	10188	0	5291	5857	5232	19945	5805	18655	24231	9162	4959	7050	6826	9536	9403	30181	27319	31427	41900	15046	10306	16037	22900	26120	0	9266	17290	11989	14990	6825	10751	16753	8681	8145	18346	13135	9217	40789	22548	18453	31806	8174	14661	0	20025	17935	8707	7786	5494	24015	12265	18077	7998	17431	8727	0	15794	5676	Lipid	0.25925925	1.3703704	0.037037037
26	C27 H37 O7 N1	488.26428	488.2649	-0.03777479	488.26425	31183	28629	31325	28813	42524	21385	11714	27404	27833	43904	44803	15648	33924	18407	18213	28309	19662	30897	41163	66658	66591	29632	19401	34018	29434	109423	11468	49128	34690	27064	24950	30927	32353	24507	49056	37753	33872	16882	20226	48163	42701	19633	0	0	0	39126	22096	0	29579	31847	31531	31162	28840	0	41770	36072	16085	30097	26276	14324	34486	30523	26112	26161	9473	27313	23677	23855	103439	97974	113209	26618	24494	22550	8726	23866	0	19367	33426	20807	20507	22803	16517	36139	33425	20634	35841	20088	18618	48202	33940	43952	48868	25736	26433	0	29016	27474	24309	34256	41803	34077	15969	32300	19552	27274	25646	0	25105	28103	Lipid	0.25925925	1.3703704	0.037037037
16	C27 H37 O7 N1	488.26428	488.26495	0.054825198	488.2643	6251	7673	7328	5797	2770	3662	5080	8017	2059	8998	5888	3881	0	2613	4533	13868	9476	2933	4841	21089	15237	8308	4391	6668	6037	19521	5892	8886	5668	7515	8261	6451	10903	5863	12205	7753	17094	6611	10816	7356	10006	3040	0	0	0	5150	3804	0	9988	9299	4876	8568	3176	0	3594	3920	2645	15294	1200	8506	13964	2411	0	3445	3562	3424	4452	18348	14536	15183	18706	5859	7755	10293	13636	5986	0	6059	5102	7293	5411	0	2407	6307	2221	1893	7697	2521	6285	24459	12072	5408	0	4005	7972	0	7563	7893	3049	2731	1649	10213	3099	6670	0	0	3306	0	6413	0	Lipid	0.25925925	1.3703704	0.037037037
16	C20 H41 O12 N1	488.27014	488.27084	0.058777712	488.27017	97738	92901	91892	85542	84176	78797	71060	35320	58614	40491	84137	76767	41335	172094	50007	33245	35402	33500	33974	30302	28800	46954	40285	36173	39683	74680	66291	106111	35300	39553	64876	56198	48285	61429	35732	41217	47547	66349	58843	68058	57237	50138	113357	163143	90322	54747	41106	156845	46321	41563	85917	91025	71583	97818	46299	41679	126693	52506	515522	76954	38106	206592	71886	63100	125269	99744	106555	59890	57368	68984	65311	68063	63771	40092	24132	76594	90711	70527	62423	57142	69383	88221	66168	63751	55798	92549	57572	71617	67147	47767	35903	56144	0	69117	31832	137779	72746	65896	91285	61179	50580	41481	68458	48744	4631478	62565	77843	142705	67889	48449	Lipid	0.6	2.05	0.05
6	C21 H37 O8 N5	488.27148	488.27216	0.12272067	488.27155	11019	11985	11964	11175	0	20060	0	0	0	1774	14125	0	0	0	0	1887	0	0	0	0	0	0	0	0	0	0	0	197328	0	0	0	0	1526	0	0	0	1767	0	804	0	0	1248	0	0	0	0	0	0	0	0	13200	12513	0	0	0	0	0	826	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	755995	0	0	0	0	0	0	0	739	841	0	978061	348359	0	70497	9491	0	13576	10706	0	0	0	0	454	0	0	0	0	0	0	0	Peptide	0.3809524	1.7619047	0.23809524
10	C21 H37 O8 N5	488.27148	488.27228	0.19460295	488.27158	3274	1905	3283	3201	0	1252	0	0	0	1374	7920	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61123	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2591	4996	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	264863	0	0	0	0	0	0	0	0	0	0	473511	124738	0	33945	5167	0	3436	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3809524	1.7619047	0.23809524
2	C21 H37 O8 N5	488.27148	488.2722	0.35549465	488.27167	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10965	612	0	1108	0	546	1057	0	493	0	307	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	730	1342	1051	0	0	0	0	0	64192	0	0	0	0	0	0	0	0	0	0	6715	1106	917	1552	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3809524	1.7619047	0.23809524
4	C21 H37 O8 N5	488.27148	488.27228	0.29511568	488.27164	3178	2680	2898	2128	0	9386	0	0	0	0	2652	0	0	0	0	1050	0	278	0	0	0	0	0	0	0	0	0	53766	0	0	486	0	1327	0	0	0	993	0	0	0	0	743	0	0	0	0	0	0	0	0	2413	1790	549	0	0	0	0	418	0	0	0	0	0	0	0	0	231	0	0	0	0	0	0	0	0	0	0	0	0	379711	0	0	0	0	0	0	346	402	0	0	199075	63020	0	14981	1658	0	1714	2340	0	0	0	0	405	0	0	0	0	0	0	0	Peptide	0.3809524	1.7619047	0.23809524
2	C28 H41 O4 N1 S1	488.2829	488.28326	-0.445234	488.28268	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14660	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	58465	0	0	0	0	0	0	0	0	0	0	46938	7138	0	2613	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14285715	1.4642857	0.035714287
24	C24 H41 O9 N1	488.2854	488.28586	-0.13876848	488.28534	8233	7032	9051	11171	5823	9902	36584	13275	8329	5114	1826	3157	19862	9602	10672	5438	3809	23019	28615	13521	5292	5869	8962	8573	16577	0	15603	9474	13268	7187	8154	12434	18128	8290	13204	10416	26186	8401	3218	5776	0	4495	1930	0	0	4280	0	0	8092	4930	7997	8600	8531	0	29416	7340	3397	10418	15452	1220	7692	1970	19584	15330	6727	30970	29216	0	0	4765	2062	8734	9984	10974	2708	7774	0	7836	6934	3223	3678	1291	19966	8947	7103	7096	5262	4932	9197	2426	31257	34042	23298	1668	5635	0	11069	11307	4168	5987	10724	10592	4014	5207	15119	9924	7053	0	3843	18394	Lipid	0.375	1.7083334	0.041666668
22	C24 H41 O9 N1	488.2854	488.28595	-0.08694716	488.28537	14511	11566	6201	16923	9259	7590	55822	15969	14247	6316	3357	5063	12870	12084	15313	10653	8095	24344	30958	6568	5276	5648	11889	12493	18944	3617	34575	7167	26259	15907	18168	13293	19203	13883	9113	18987	25880	11702	3151	3662	2590	9696	0	0	0	4190	2924	0	13911	12810	15735	13752	10687	315	26759	13306	7732	14098	12404	3124	11376	3351	19880	9526	10316	19656	18893	4143	0	3386	0	12488	16461	20951	6180	15100	0	13097	9443	4242	5027	3843	56740	24021	10915	10621	12856	7732	14362	5877	23154	31574	16997	2425	5568	0	12095	18241	5219	5056	10181	21584	9221	9881	11135	10987	5468	0	10213	20696	Lipid	0.375	1.7083334	0.041666668
20	C24 H41 O9 N1	488.2854	488.28598	-0.041697398	488.2854	7285	5268	11192	6075	4031	6939	29288	12881	7549	0	1658	4903	7899	4370	12184	8781	7139	10527	12344	5030	2733	3940	7127	8980	12707	1692	19803	3861	13540	8981	7286	12451	16592	9398	0	15315	10318	9082	5938	2036	0	7194	577	0	0	1793	0	0	11625	5687	8441	10374	6106	0	12477	9455	5607	9427	4412	1223	10813	2420	9271	8434	7936	9053	7471	6884	0	0	0	7047	8688	17491	8107	13604	0	9943	7438	3210	6907	2543	45247	20642	10543	8139	8142	4216	8920	6574	12298	7563	11526	1702	0	0	10150	7868	2394	7297	6847	17254	5203	8783	3525	6998	3232	0	7641	12459	Lipid	0.375	1.7083334	0.041666668
12	C28 H41 O6 N1	488.30066	488.3012	-0.050793264	488.30063	0	0	0	0	0	0	0	2260	0	0	0	2699	0	0	4962	2959	0	0	0	3702	1585	0	0	0	7806	0	1627	0	4674	3909	3859	4235	5475	3342	0	3073	3975	2761	0	0	0	0	0	0	0	0	0	0	3380	1739	0	0	0	0	0	0	0	1938	0	0	0	0	0	0	0	0	0	0	0	0	0	2096	2966	4162	1530	3983	0	5206	0	0	911	0	0	0	0	0	27200	0	0	0	3491	0	8933	0	0	0	0	0	0	0	0	2460	3209	0	0	4558	0	0	7154	0	Lipid	0.21428572	1.4642857	0.035714287
12	C21 H45 O11 N1	488.30655	488.30765	0.18676257	488.30664	2883	3966	2653	4618	0	0	0	0	0	6728	12619	0	0	0	0	0	0	0	0	1427	0	0	0	0	0	0	1565	13961	0	0	0	0	0	0	0	0	0	0	0	3342	8457	0	731	0	0	3207	11326	0	0	0	4970	0	0	508	0	0	0	0	113587	7781	24679	8705	0	0	0	0	0	0	0	1564	1727	0	0	0	0	0	0	0	0	46169	0	1121	0	0	0	0	0	0	0	0	0	0	0	6630	3283	0	2601	5663	0	0	0	1680	0	21821	283912	0	0	0	0	0	Lipid	0.52380955	2.142857	0.04761905
16	C21 H45 O11 N1	488.30655	488.30722	0.002099671	488.30655	38614	46667	45736	45921	37758	31464	34469	23155	32130	41538	62493	27668	26845	31240	25255	17441	27210	22741	14302	27244	20821	50598	22619	27510	20467	16669	43234	57556	18823	25592	31290	24073	25946	30325	30891	18294	30823	28965	39796	44825	41292	28338	55317	61112	47358	71252	54744	60173	30936	19929	45085	45093	34534	56839	16963	15644	40960	34952	144515	49891	162024	62694	111776	23148	48295	53174	51815	40244	33319	67106	34105	29394	27535	22212	14157	27636	54069	29379	23268	79587	29086	42085	28509	34402	22925	29000	25762	51391	28756	30058	53795	54714	41935	36362	26210	57068	50503	38503	36656	25555	20395	30882	28938	53062	1346030	31945	21825	60360	26466	42948	Lipid	0.52380955	2.142857	0.04761905
14	C21 H45 O11 N1	488.30655	488.3074	0.036139596	488.30655	4239	1625	4999	0	0	0	2195	0	0	22990	28929	0	0	0	0	0	2318	0	0	0	0	0	0	0	0	0	15109	10762	0	0	0	0	0	0	3954	0	0	0	4552	4016	10421	0	0	1356	1044	4704	14961	2566	0	0	3543	3563	1031	2246	0	0	0	0	116639	8793	0	24397	0	0	0	0	1139	2577	0	0	6591	0	0	0	1230	0	1377	0	0	15814	0	0	0	0	1410	0	0	0	0	8596	4988	0	0	4865	1721	1914	3510	2727	0	0	0	0	0	8479	470043	1401	0	1921	1324	0	Lipid	0.52380955	2.142857	0.04761905
2	C22 H41 O7 N5	488.30786	488.30847	0.03914609	488.3079	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7319	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57684	0	0	0	0	0	0	0	0	0	0	54607	12578	0	1329	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.8636364	0.22727273
6	C22 H41 O7 N5	488.30786	488.30856	0.08245613	488.30792	2389	2165	1502	1497	0	5567	0	0	0	0	3863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	87141	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2102	1840	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	154812	0	0	0	0	0	0	0	0	0	0	255550	69781	0	12809	2221	0	1666	3096	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.8636364	0.22727273
8	C22 H41 O7 N5	488.30786	488.30884	0.19312349	488.30798	1386	998	2391	2496	0	6990	0	0	0	0	4525	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	60091	0	0	0	0	0	0	0	0	0	0	0	0	0	1312	0	0	0	0	0	0	0	0	3143	3153	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	233454	0	0	0	0	0	0	0	0	0	0	354633	101377	0	17785	1602	0	3450	2213	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.8636364	0.22727273
4	C22 H41 O7 N5	488.30786	488.30853	0.22436744	488.30798	0	861	0	0	0	2279	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50922	0	0	0	0	0	0	0	0	0	0	123780	28893	0	2992	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.8636364	0.22727273
10	C22 H41 O7 N5	488.30786	488.30823	0.25985023	488.308	0	1865	2204	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28541	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1387	1338	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	135001	0	0	0	0	0	0	0	0	0	0	233832	83780	0	12288	0	0	1292	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3181818	1.8636364	0.22727273
26	C25 H45 O8 N1	488.3218	488.32202	0.09929912	488.32184	0	0	0	0	0	0	41696	0	0	0	0	0	0	3831	0	0	0	0	0	0	0	0	0	0	0	0	23434	5649	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7477	0	0	0	0	0	6468	4811	5037	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9144	3295	0	0	0	0	0	0	10020	5673	0	0	0	0	0	0	0	0	0	0	0	0	14907	0	0	0	0	0	Lipid	0.32	1.8	0.04
22	C25 H45 O8 N1	488.3218	488.32233	-0.17612103	488.32172	0	0	0	0	0	0	22754	11581	0	0	0	0	0	0	0	4787	0	0	0	0	0	0	0	0	0	0	14301	0	9509	7443	13031	5948	0	0	0	11637	0	0	1104	0	0	0	0	0	0	0	0	0	8051	7693	0	0	0	0	0	0	0	4770	0	0	6939	0	0	0	0	0	0	0	0	0	0	0	4718	13664	1073	13849	0	0	0	0	0	0	15671	8686	0	1312	0	0	0	0	0	0	0	0	0	0	0	2138	0	0	0	0	0	0	0	2284	0	0	0	0	Lipid	0.32	1.8	0.04
24	C25 H45 O8 N1	488.3218	488.32227	-0.09659591	488.32175	1497	0	1250	0	0	1382	61973	1390	0	0	0	0	0	4287	0	1437	0	1290	1745	0	0	0	0	0	0	1422	32891	2603	0	1438	0	0	0	0	0	1330	1103	767	0	0	0	0	0	0	0	0	0	0	1705	1429	1846	0	0	0	1693	0	1026	1030	0	0	0	0	1672	0	4597	5355	20221	0	0	0	0	0	0	3136	0	0	0	0	0	1740	0	0	20859	8660	0	0	1013	0	0	0	7372	5533	0	0	0	0	1049	0	0	0	2101	0	0	0	6398	0	0	0	0	0	Lipid	0.32	1.8	0.04
20	C29 H42 O2 N3 Na1	488.32474	488.3256	0.115769245	488.3248	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	988	854	0	0	0	0	0	0	0	0	0	708	0	0	0	0	55280	11984	0	2281	0	0	0	0	0	0	0	0	0	1424	0	0	0	0	263	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1793	0	0	0	0	0	57615	32785	0	0	0	0	0	Lipid	0.06896552	1.4482758	0.10344828
22	C22 H16 O13	489.06638	489.06708	0.14405227	489.06644	12385	8502	7681	10636	25568	12306	1543	1313	24410	9064	2685	1688	51655	10792	2438	0	0	34530	19743	0	6454	16937	7962	0	0	0	1595	0	0	1312	0	0	2171	1427	10976	0	1993	1880	0	3393	4297	2371	0	0	0	7809	11050	0	0	0	9182	8066	12764	0	29977	26498	10176	1593	1919	1547	0	0	46243	26134	6280	26645	6069	0	1707	0	4611	0	0	0	0	0	761	1235	10557	12996	13792	10984	0	1514	39920	14250	7985	3773	5143	0	0	0	2527	19530	17786	0	8010	5933	15933	32825	32369	2070	1396	1320	8690	2116	19460	0	1665	46485	Phytochemical	0.59090906	0.72727275	0.0
26	C22 H16 O13	489.06638	489.06693	0.0927313	489.0664	5702	8456	4869	5399	20514	8033	2125	0	18276	6556	0	0	42337	8586	0	0	0	32010	18263	0	0	8273	0	0	0	0	0	0	0	0	0	0	0	0	8511	0	3074	0	0	3153	2476	0	0	0	0	0	9636	0	0	0	10059	6058	12348	0	30301	20645	7268	0	0	0	0	0	44579	17869	3819	19817	3564	0	0	1855	0	0	0	0	0	0	0	0	12751	8414	11230	4375	0	0	25291	13684	4696	0	5259	0	0	2178	0	12051	17823	0	6331	6631	10888	21455	19538	0	2896	0	0	0	14414	0	0	36714	Phytochemical	0.59090906	0.72727275	0.0
12	C22 H16 O13	489.06638	489.06717	0.09980766	489.0664	2981	3693	3643	1605	5504	2421	0	0	12148	3017	3064	0	13346	1280	0	0	0	4103	5614	0	3561	5785	0	0	0	0	0	0	0	0	0	0	0	0	9798	0	0	0	1368	0	5133	1297	0	0	0	1754	10413	0	0	0	3829	0	2541	0	7455	10254	2949	2292	0	0	0	0	22206	8655	3605	12543	1019	0	0	0	1900	0	0	0	0	0	0	0	1989	0	2014	4243	0	0	14228	2742	1743	1473	1746	0	0	0	0	9228	2905	0	3392	4459	15575	18275	10975	2609	0	0	0	0	6529	0	0	11721	Phytochemical	0.59090906	0.72727275	0.0
28	C22 H16 O13	489.06638	489.06705	0.13689388	489.06644	6854	7253	5821	6109	18920	9471	1955	0	17042	5892	0	1641	36626	8167	2724	0	0	27528	18009	4539	5128	11861	5473	0	0	0	1303	0	0	0	1971	0	1844	0	7488	0	3285	2983	1573	1628	3021	2860	0	0	0	0	5673	0	0	0	5749	6050	9990	0	22232	17278	5169	2090	1515	0	2014	2008	34547	16207	4519	22671	3727	1373	0	1406	1931	0	0	0	0	0	0	1737	11566	3909	8692	3040	1099	0	30243	7787	7561	2286	5651	1732	834	1614	2695	9017	10496	0	7432	5874	11350	17027	19372	2126	0	2213	3584	1788	14272	0	1821	31844	Phytochemical	0.59090906	0.72727275	0.0
14	C22 H16 O13	489.06638	489.06717	0.060085353	489.0664	3768	3630	4569	7505	23752	4449	0	0	29682	6548	7749	1508	20089	4814	1534	0	0	8252	12851	4004	4978	30394	4082	0	0	0	0	0	0	0	0	0	1510	0	18241	0	0	0	1459	1504	9862	2427	0	0	0	7037	18377	0	0	0	7236	4948	8108	0	16261	15825	8280	2970	0	0	0	2029	44217	20967	5859	20975	3643	0	0	0	2034	0	0	0	0	0	0	2774	6917	0	5484	9589	0	0	29077	7273	3360	4897	4576	0	0	0	0	36733	13905	0	10406	3193	24590	37205	34541	0	1063	0	0	0	20267	0	0	31827	Phytochemical	0.59090906	0.72727275	0.0
18	C22 H16 O13	489.06638	489.06708	0.17215163	489.06644	11600	11284	12450	9668	36725	17205	2071	0	34430	6469	9202	1683	73412	11179	3350	1899	0	40694	26406	2979	6389	33096	11139	0	0	0	0	2340	0	0	2149	0	0	0	17187	0	2993	2749	0	4517	12524	6334	918	0	0	13587	21409	644	0	1501	10131	16661	18112	0	33622	42204	14837	2537	0	1843	0	9776	79919	37509	10468	37380	8679	0	3353	0	2358	0	0	0	0	0	0	1389	17722	18286	13841	15521	0	1630	50748	24687	12804	5842	6865	2380	2986	2685	0	45206	25412	0	9992	10383	32272	56389	52263	1559	4254	3977	15967	2220	32482	0	1919	59047	Phytochemical	0.59090906	0.72727275	0.0
16	C22 H16 O13	489.06638	489.06714	0.092105545	489.0664	20980	17672	19328	26540	61258	21234	4526	0	77544	15660	18256	2382	104104	17406	4358	5358	0	49380	66477	13144	26278	81094	8168	3664	0	1570	2876	0	0	0	0	0	7670	0	42062	0	4238	6828	0	8288	16554	7972	922	0	0	20101	62254	1088	0	0	19780	14254	32704	0	52464	69106	25590	3218	0	4720	0	13550	125936	55248	17530	66026	15482	3534	0	0	5560	0	0	0	0	0	0	3870	19012	56166	25682	36872	0	0	84256	19942	17808	20442	16692	0	0	0	0	95782	57560	0	17916	18364	65950	90294	90628	3822	2438	0	38482	0	55076	0	3564	105338	Phytochemical	0.59090906	0.72727275	0.0
24	C22 H16 O13	489.06638	489.06708	0.21077478	489.06647	7821	8286	11877	4957	21606	7989	0	0	21028	5386	0	916	37860	5917	2888	0	0	26511	19874	1495	2470	13828	3973	0	0	0	0	0	0	0	0	0	1690	0	7203	0	2012	2476	1232	1419	2824	1401	0	0	0	5275	10684	0	0	0	6977	4415	12460	0	25455	20876	7033	1405	1218	0	0	2116	43214	23682	4486	23783	5240	0	1540	1617	2626	0	0	0	0	0	0	873	9283	7156	12716	5297	1141	1175	29640	12300	7777	3042	6244	1714	1727	0	0	10537	14751	0	6100	7951	12401	23328	24849	2818	1455	0	6925	1717	17165	0	2370	42785	Phytochemical	0.59090906	0.72727275	0.0
20	C22 H16 O13	489.06638	489.06708	0.10960733	489.0664	10488	10636	9909	7078	39602	10249	1223	0	35911	4706	5093	1205	63332	8906	3639	0	0	26645	30491	2184	11307	25427	7120	1633	0	0	1242	0	0	0	0	0	3777	0	17297	0	2159	5998	0	0	8693	5509	0	0	0	9978	24119	1935	0	0	8866	12370	18138	0	32658	41347	12152	0	0	2987	1983	4137	60978	35384	11396	42879	9156	0	0	0	3474	0	0	0	0	0	408	2227	13787	15115	13459	15000	0	0	50558	15970	7202	4627	6506	2071	0	4404	3226	33481	19879	0	12242	10374	29644	46089	46642	1713	4406	0	18132	2057	33909	692	0	61510	Phytochemical	0.59090906	0.72727275	0.0
12	C19 H20 O15	489.0875	489.0885	0.24887103	489.08762	5949	0	0	5211	17850	3327	0	0	12516	0	0	0	22410	0	0	0	0	9096	13959	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6306	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5835	0	13641	12717	2481	0	0	0	0	0	34251	11724	4119	15384	3693	0	0	0	0	0	0	0	0	0	0	0	0	0	3459	4524	0	0	0	3042	4032	0	0	0	0	0	0	0	0	0	7101	0	13536	20289	18372	0	0	0	0	0	11814	0	0	37593	Phytochemical	0.7894737	1.0526316	0.0
22	C23 H20 O12	489.10275	489.10342	0.14154068	489.1028	18764	19012	22430	19861	36389	21835	4103	2129	46487	59379	19353	5035	70956	19970	4933	2596	1448	66197	40309	39740	41695	59971	13987	6037	7193	13247	2848	6307	1714	1164	2704	0	3591	1649	56438	1763	7920	8568	1490	18759	12544	5252	0	0	0	35624	41694	0	3550	1964	24766	21168	23334	0	55138	41773	15382	6463	7397	2445	6052	16349	76989	46462	16356	46245	16458	1560	13640	28016	23583	1257	1684	1134	1214	0	502	4768	27815	27207	19293	44746	1773	12651	50534	30666	14172	7872	10221	5710	10327	16319	6048	52826	65851	0	26057	19368	39707	42450	39629	6688	4564	4212	40732	3754	29864	0	5717	76146	Phytochemical	0.5217391	0.8695652	0.0
10	C23 H20 O12	489.10275	489.10355	0.08829724	489.10278	8671	7662	8598	7749	12199	3406	2666	2088	17206	27737	19562	4511	20330	5620	2661	3132	2272	12610	14189	10963	19876	15440	5573	2368	0	6377	2969	4235	0	1834	1045	1789	1899	991	38426	2041	2992	4648	4360	8959	14099	2756	0	0	0	12773	34832	0	1968	1510	9301	9783	6358	0	14720	14147	6801	2337	3253	5677	0	5756	23232	13776	4352	13289	4598	4450	13644	10068	16074	1295	3057	1571	3516	2280	0	2030	9312	15273	7163	14604	1129	3122	22126	7606	9988	4566	4038	3551	0	2275	3178	21178	18891	0	10022	7842	18986	21111	19158	3723	2786	2369	13816	1464	10360	0	1816	20835	Phytochemical	0.5217391	0.8695652	0.0
26	C23 H20 O12	489.10275	489.1035	0.20923297	489.10284	7550	7004	6249	6978	18132	6550	0	0	16953	23035	3452	0	37596	6365	0	0	0	29133	13943	10481	10526	18904	0	0	0	0	0	3147	0	0	0	0	1615	0	23096	0	1880	0	0	5405	5449	0	0	0	0	10247	14272	0	0	0	7318	8063	8551	0	23833	13540	8768	0	0	0	0	3295	32278	16699	3665	17054	3461	0	6119	9026	10751	0	0	0	0	0	0	0	8439	9676	8177	9769	0	3401	22224	11733	5648	0	0	1556	3251	3132	4019	13572	25442	0	5564	8184	13546	15511	14023	0	0	0	8568	0	11047	0	0	39856	Phytochemical	0.5217391	0.8695652	0.0
24	C23 H20 O12	489.10275	489.1034	0.119095795	489.1028	10946	11399	7976	10352	16025	14632	3424	1624	26717	28769	9342	0	56759	6930	2953	2219	1867	36973	19676	16512	14657	24475	8384	3380	2678	6244	1724	4876	0	0	0	0	2537	949	38235	0	2900	5130	1136	9796	5612	3289	0	0	0	19202	20823	0	0	1666	11716	11653	12248	0	33282	24094	7375	2987	2884	1897	3406	8857	53537	19519	7542	30335	6418	0	7588	10457	13115	0	0	0	0	0	0	1379	12970	14204	11992	17040	949	6711	33985	13654	7109	4426	4466	0	4442	4206	1388	24219	41484	0	8528	12280	17609	21618	24921	2438	2512	3032	19372	1336	18739	0	2851	48156	Phytochemical	0.5217391	0.8695652	0.0
28	C23 H20 O12	489.10275	489.10342	0.17125899	489.10284	7824	6019	5518	4581	12851	6551	1187	0	11386	15968	3083	1139	22661	6365	4129	0	0	17759	12081	8125	9059	12942	3168	2104	2450	2988	1508	2144	0	0	920	0	1459	0	17424	0	2749	3021	0	4814	3377	2270	0	0	0	7315	9624	0	0	0	6984	6734	7298	0	17073	9501	4686	1995	1930	0	0	4002	23457	11117	3740	15368	3797	904	5429	7835	8280	0	0	0	0	0	0	1297	8836	7126	6483	6149	0	3066	13305	6716	5470	2972	3622	0	2969	4811	0	10955	17138	0	6345	6555	9950	10619	10484	0	1416	2648	6370	2293	9295	0	1741	20939	Phytochemical	0.5217391	0.8695652	0.0
18	C23 H20 O12	489.10275	489.10342	0.056236632	489.10278	65548	59800	59083	66458	101125	61002	15276	10197	98962	178898	67208	12498	178775	43441	31522	16968	8146	123708	107180	117289	100613	155153	37377	18292	21609	35371	14463	31516	8378	7345	8056	9776	21756	6834	212133	5929	24463	25906	12272	68088	50933	25384	2377	0	0	115991	134553	537	14510	9602	55575	62825	55773	304	123425	82199	42533	24015	24171	11627	22606	58033	181552	94923	31324	112260	46223	8273	37019	56749	51082	13301	5500	3736	7618	8530	421	16210	61870	85267	47421	115741	13394	33311	115026	53651	48240	31189	39146	13887	23675	34089	29032	136787	150266	0	67302	53355	92294	99194	91674	16862	13274	17441	86042	11308	76521	0	13635	157384	Phytochemical	0.5217391	0.8695652	0.0
16	C23 H20 O12	489.10275	489.10352	0.102615364	489.1028	70862	73048	56295	65329	84326	48643	16365	13541	103673	178643	84950	17399	147394	32404	22634	17373	9481	108754	107957	109923	111127	181584	31960	17433	17332	27590	12947	38125	10090	7201	13009	12570	24251	8104	236340	7483	25895	28977	10393	67995	64717	19921	1664	0	0	113630	133191	0	13582	8738	65367	60237	59105	249	99387	70691	35436	23459	20479	15988	19102	53306	160057	88876	29813	104119	40444	11657	39160	61193	76059	14309	9122	2613	5887	11461	0	14702	53445	101383	42350	100742	13491	35364	97522	49235	46045	28981	29205	0	24878	42672	0	138558	154004	0	65500	55628	91304	93328	89922	24082	15171	25365	105446	18923	77177	0	16685	146177	Phytochemical	0.5217391	0.8695652	0.0
14	C23 H20 O12	489.10275	489.10352	0.09256484	489.10278	51246	54588	44592	47968	64704	34314	11754	11582	74167	148871	89546	12603	102569	25704	19425	16681	9651	60448	57221	79703	87688	120337	24359	20641	9480	23509	9778	25188	5888	6249	8243	0	20131	5783	182925	5797	22213	18798	10440	52659	62363	17640	0	0	0	81480	147358	0	9339	7263	53443	42230	40087	0	60636	53720	28965	17845	17424	17560	0	48310	116923	65673	23901	66946	27761	11638	46703	34553	52232	8873	7064	3594	6874	7366	0	11472	41238	78020	31585	84212	7871	25112	72388	34951	28042	22859	26466	18758	13505	23911	23146	117349	95561	0	48573	41575	64536	77022	65849	8511	12515	13890	100301	13381	50967	0	15064	90301	Phytochemical	0.5217391	0.8695652	0.0
14	C22 H20 O11 N2	489.11398	489.11475	0.12465041	489.11404	18007	21131	14041	15514	19130	8423	3583	4654	27831	47999	19980	4598	34259	5874	4679	5642	5243	21515	18454	24431	51979	54757	5596	6939	3161	6436	3245	0	2164	1628	2396	0	9760	2133	73693	2642	8629	3556	7146	35363	58474	7733	0	0	0	48858	71768	0	4601	5646	16145	13578	11652	0	27903	16605	6363	4421	0	0	0	31811	47251	25544	8122	22768	9528	6150	0	15498	26060	1571	2668	0	3279	2409	0	3912	12656	29222	7465	40646	2624	13501	22856	7490	12060	8334	8376	12124	3265	8480	13784	45815	46551	0	13349	18160	12839	24737	18781	5455	5273	6729	53102	7134	14496	0	4693	36544	Phytochemical	0.5	0.90909094	0.09090909
12	C22 H20 O11 N2	489.11398	489.1148	0.17491654	489.11407	8940	13986	14563	11690	13496	5590	0	4240	19442	35803	13519	3885	25211	5799	5873	4365	4339	16377	19707	26365	31295	49116	6164	5821	1601	4211	2195	11661	3080	2266	4255	1905	3518	2130	59074	2901	4354	3102	5065	31816	56728	3834	0	0	0	33781	75941	0	3785	2879	11295	11300	9468	0	20620	14848	4941	3335	5594	0	0	25581	42398	17170	4239	18612	6615	3899	0	10384	24758	1525	0	2343	2389	1467	0	3607	8467	15666	5556	35599	1705	6963	20548	7193	6439	4276	5326	9801	3033	9347	11379	50500	26970	0	11839	9637	14989	17400	12219	2932	2724	5143	45212	6805	12822	0	4489	36978	Phytochemical	0.5	0.90909094	0.09090909
10	C22 H20 O11 N2	489.11398	489.11478	0.17262676	489.11407	8256	8057	5891	5789	11752	2421	2335	1830	14024	24558	14551	2980	20018	4069	2202	2303	1863	10208	11494	18539	23002	25508	3243	4139	1024	1683	1967	3290	0	1068	1141	1590	4006	1421	36701	1184	2547	2019	2827	17036	22399	2365	0	0	0	16833	45591	0	0	1416	5846	7797	6393	0	15626	12394	3338	3751	0	3893	0	11319	24401	14104	3448	14733	3764	0	9417	8539	15108	1778	1285	0	1819	1449	0	1602	6213	10261	3290	16518	1342	4077	8777	2624	4898	4945	3848	6313	0	3980	5514	26577	20476	0	6462	9891	8076	13637	9519	5940	2567	0	21566	2997	9576	0	2095	23009	Phytochemical	0.5	0.90909094	0.09090909
20	C22 H20 O11 N2	489.11398	489.1147	0.12737887	489.11404	5483	4766	3822	4451	7370	4503	1309	1601	8477	12767	4815	1992	17236	1814	1560	0	0	9128	3900	9828	13420	25862	2992	3572	1970	0	2260	4469	1584	0	2570	0	3960	1585	21997	1466	0	1874	1319	11915	10835	3469	0	0	0	20262	28889	0	1925	0	5909	6390	5154	0	8599	7797	1860	3557	2775	1480	2546	10807	17783	11872	2449	6846	2767	2089	3361	3562	7199	0	0	0	0	2147	0	2326	5483	17118	3126	18988	1058	0	8431	3521	2674	2901	3043	2576	3468	3946	7500	23121	21107	0	3515	5671	5244	5208	8161	0	2460	1541	23474	3710	4440	0	3091	13010	Phytochemical	0.5	0.90909094	0.09090909
18	C22 H20 O11 N2	489.11398	489.11472	0.19845179	489.11407	8918	10131	10494	12728	8977	9217	3617	0	15270	38226	6801	2515	33505	3757	3308	3135	2284	18161	14577	10994	27726	43383	8729	3854	3797	2871	2499	3558	0	1845	1809	0	7674	0	34537	1989	7907	5218	2632	30330	20313	3135	0	0	0	34981	44053	0	2109	0	9309	6790	13044	0	19915	13317	5128	2045	5535	3011	4398	23027	31773	19247	4613	15653	4889	1872	4243	4549	5691	2063	0	0	2263	0	0	2635	8749	21508	7521	29565	1860	13111	16105	8704	6785	4930	4420	6112	3202	7589	11154	33907	36016	0	15128	11274	6175	15628	11487	4384	2067	2675	29101	6847	11247	0	5199	29608	Phytochemical	0.5	0.90909094	0.09090909
16	C22 H20 O11 N2	489.11398	489.11472	0.11023133	489.11404	19278	12532	11284	17140	17229	13007	3490	2415	21948	34671	15742	3542	38846	5998	6535	7177	6516	19419	26652	28034	29811	53681	9066	5022	3981	7403	1517	4884	0	0	3526	0	5260	1324	52617	1446	5861	5567	4486	37019	38927	5893	0	0	0	47394	71058	0	1837	3209	13425	16188	9497	0	27224	17300	10215	5669	5191	5647	0	27334	40293	26142	7315	23458	10370	4856	12751	13156	19614	2518	3015	2017	1990	2339	0	4053	11184	31568	6374	35982	4177	14290	23175	8995	13742	10137	7833	0	5765	9350	0	52087	50919	0	13911	13179	10521	18813	18073	7015	3696	3836	44544	0	17187	0	4819	36301	Phytochemical	0.5	0.90909094	0.09090909
12	C24 H24 O11	489.13913	489.1399	0.04999393	489.13916	51322	54822	55507	57299	39608	22970	31717	31823	41201	130539	93252	21852	36541	18521	22808	34703	26229	32596	41046	97494	86464	82882	31247	32154	16324	52632	26868	62501	26893	23807	28407	22607	33351	25911	286646	21041	27112	26932	31923	67286	86269	15037	744	0	0	74821	154372	0	24313	31098	51084	56080	27567	0	33940	28742	18121	39842	38474	32319	29728	43476	49436	33951	13767	39348	19656	42498	60380	79577	99503	30748	27195	25597	18620	22054	0	19657	42438	29579	35342	69098	27286	41037	41270	18667	37168	15008	18177	38327	18287	33757	31015	69499	64869	0	60836	58853	46544	38597	30859	33460	23487	40069	76421	22549	30964	0	21519	49339	Phytochemical	0.45833334	1.0	0.0
16	C24 H24 O11	489.13913	489.13983	0.057352148	489.13916	144383	141190	140884	140517	123280	89581	48897	78554	170911	428650	195393	54118	184476	73438	70752	77956	48621	162669	167813	294889	296782	223706	90152	86963	55816	182652	41991	138523	64001	58961	67728	72560	78058	54999	1102814	60825	87770	70559	46949	216328	168794	55833	2997	0	349	509050	267417	0	76214	63042	142110	145263	102014	0	158390	113022	58505	85799	92819	51432	93690	136395	187773	119851	52710	134632	76232	48535	167971	274415	241873	75063	65982	52990	42484	74128	0	58407	118642	144916	84992	231149	65759	139599	149987	72400	94920	51641	67653	69053	105366	102221	92321	180964	500836	763	134754	137573	131743	129515	116595	65423	48290	81155	180739	88268	115494	440	64525	192981	Phytochemical	0.45833334	1.0	0.0
10	C24 H24 O11	489.13913	489.13992	0.11020134	489.1392	13187	20320	18474	18202	9708	7549	9617	12880	15117	42873	22384	12827	13533	6483	7210	13512	11432	12145	13743	29205	36055	24796	9822	15731	3215	19554	9044	12709	9646	7469	8587	13131	12067	9670	57149	9945	9682	9865	13494	20777	23929	5991	0	0	0	19553	35130	0	10700	8953	17777	18316	5974	0	16143	11158	7208	11469	11175	12775	10116	13686	19435	14734	7609	11042	9618	13090	26001	22148	40619	9332	9954	13286	8950	11769	0	7703	13428	11108	14504	21795	7938	13370	14252	9520	14299	5806	5479	12859	6524	9384	11521	18684	22880	0	16320	13038	16175	14395	10174	8561	9115	11987	28158	8207	10893	0	8444	16459	Phytochemical	0.45833334	1.0	0.0
24	C24 H24 O11	489.13913	489.13977	0.100312226	489.1392	26735	26427	24136	27738	38520	18670	2279	6331	40873	86150	20227	7588	69898	19105	11115	6939	4486	50847	37177	43760	53863	42387	16446	6946	8916	31006	4045	15113	5556	4781	4152	4616	6680	4346	98652	3104	9438	10570	6662	35954	23351	9630	0	0	0	52419	42063	0	4184	4921	27247	23406	21651	0	48731	35721	15282	8957	8999	6175	7899	23426	70285	34215	10631	45528	13235	2891	32480	63833	46772	5108	3008	2143	3782	4674	0	5809	25763	24257	17483	37151	4828	17999	52017	17281	18167	11064	10266	5070	10311	12352	13066	35849	52958	0	24607	21103	27776	34275	40380	5211	5343	5709	34409	7412	32925	0	8375	66565	Phytochemical	0.45833334	1.0	0.0
28	C24 H24 O11	489.13913	489.13974	0.10784802	489.1392	8594	7056	6725	6863	10301	6117	1018	0	12671	21912	6047	1917	27256	6110	3080	0	0	11068	13360	13358	18325	9859	6562	2474	3301	10572	1063	5312	0	0	1805	986	3424	1232	25515	0	2755	1731	0	7281	6617	2519	0	0	0	12406	10524	0	0	0	7721	6984	6112	0	12566	10484	2820	3458	1502	0	3056	5165	21203	10569	3748	14824	4556	2072	11147	20297	18349	2830	0	0	0	0	0	1291	9189	6017	6859	6807	2349	4700	17577	5815	5152	3303	3406	2550	2644	5769	3154	9354	17454	0	7330	7347	7493	10814	12847	0	1178	3809	7369	2172	9998	0	1561	21787	Phytochemical	0.45833334	1.0	0.0
26	C24 H24 O11	489.13913	489.13977	0.06296161	489.13916	11752	14303	11786	9546	17561	12148	2339	0	21970	49537	12283	0	42960	5680	6299	0	0	24039	21955	25498	26621	21193	8581	0	6158	16429	0	6943	0	0	2888	0	4691	0	49047	0	4659	3235	0	14936	12407	0	0	0	0	23543	21045	0	3189	0	12632	11567	8223	0	28839	16627	8333	4074	3041	0	4906	11264	37900	24554	4751	19857	7205	0	22595	35024	30372	0	2724	0	0	0	0	0	12233	11765	9358	15495	2817	9296	17709	11151	8359	0	3991	1420	5088	6716	4970	17688	29117	0	13057	13746	16489	22640	18273	0	0	0	12307	2749	14600	0	3030	38221	Phytochemical	0.45833334	1.0	0.0
20	C24 H24 O11	489.13913	489.1398	0.05542826	489.13916	111410	118978	117181	94356	131656	90377	31426	45351	159556	358932	139039	28962	202518	76154	59914	48670	24500	158780	156432	239875	221511	179761	68130	48864	51453	145514	32446	111119	37688	33033	27962	34215	59278	30882	432301	35980	68280	45596	26212	167711	103608	40615	3785	0	418	229430	194673	0	40847	32630	111949	108017	87674	585	156618	111347	59837	47650	49202	29729	49117	108953	231225	123182	55103	136107	69980	25148	131555	232252	177819	43166	37060	30950	25225	37532	622	42250	85516	101464	67342	146488	35877	128138	152539	77136	70951	47740	61563	38250	61327	76399	63851	142472	173179	894	116635	103587	127309	123424	115186	38977	34477	51925	161334	47963	108450	0	39580	224866	Phytochemical	0.45833334	1.0	0.0
18	C24 H24 O11	489.13913	489.1398	0.04385237	489.13916	167495	164234	155401	145480	153399	109869	47339	65306	169679	503829	211154	45186	244134	92311	87111	79995	42590	192860	203833	337647	300332	259899	94571	85109	60017	189457	46408	151400	54636	49872	72063	61660	88781	68021	598619	55775	87607	76127	45087	225113	140872	56909	3082	0	375	293199	236297	546	71264	55468	160171	159601	106548	681	201826	131463	80697	82276	83288	41534	74682	158101	274508	145470	65161	188414	99253	43786	179263	284915	260300	68259	58124	54456	40935	68150	510	55432	133748	133395	100211	243081	53282	141074	168295	100232	107146	64942	72222	56798	100898	123548	103967	168101	286105	813	163848	131497	158440	147356	127703	64059	50869	77330	192239	63541	124107	639	60238	241396	Phytochemical	0.45833334	1.0	0.0
14	C24 H24 O11	489.13913	489.1399	0.067766465	489.13916	110108	108485	96927	101726	80246	51946	41893	62788	96858	608904	174408	45118	90722	44719	55570	56565	37285	95076	90482	198183	192047	162896	54383	66121	37229	119112	46874	127631	40106	50618	50690	79849	63168	50050	691460	54111	51555	49835	44443	253150	140700	40736	0	0	0	166410	228167	0	57956	55405	101725	92582	59817	0	83277	65223	42236	71546	48777	44300	63832	103626	117004	79329	39071	87261	50761	44537	147390	162312	170045	53498	51294	44089	38705	55300	0	44638	82532	97261	67736	146453	54030	85050	85862	50746	72498	41839	45869	79500	50750	63023	68885	128211	140312	0	109741	89372	80858	82162	80666	58855	44724	75108	210943	55974	71404	0	50927	93136	Phytochemical	0.45833334	1.0	0.0
10	C23 H24 O10 N2	489.15036	489.15115	0.082017444	489.15042	35143	35258	28945	27688	23936	16787	11900	22923	30699	89782	46195	14485	43519	8093	13689	23942	18202	26992	34547	67334	79069	75282	18391	32036	12095	24333	13958	26051	19183	17957	19026	18579	22568	14001	107540	15535	27242	15196	24121	64651	75186	13621	0	0	0	67510	81028	0	23766	18841	39964	28628	18816	0	33624	22017	11246	27309	15623	21826	25474	45918	39127	29196	11243	29946	15570	24431	44794	42676	63174	17577	15588	14974	16712	14105	0	10202	28476	31837	16748	41582	17216	30533	23180	15165	20784	15627	14777	31333	18162	33036	39323	55824	64031	0	30684	32787	23616	24343	24776	18843	12747	32985	54434	20796	19723	0	17199	35213	Phytochemical	0.4347826	1.0434783	0.08695652
20	C23 H24 O10 N2	489.15036	489.15103	0.053758997	489.1504	39276	40960	53211	45871	52510	27386	23322	12224	44865	141158	75065	14085	56034	25921	23164	26464	16565	50754	45694	71953	99809	104410	15168	32268	24951	154604	21945	51866	18147	5436	20859	17785	24082	10052	166334	11666	47071	10352	19116	107472	79419	17649	0	0	0	83064	83383	0	21618	8072	51326	44312	28699	229	34072	31982	17898	31854	32886	15653	30246	53875	51417	40768	20565	28418	23677	27219	123943	138411	147188	15423	16314	7478	12417	12224	0	12044	29785	63404	24110	59037	21362	63800	42525	27318	44071	24451	29222	27026	44716	67347	63797	66918	90442	0	46362	40047	35586	34949	29401	19666	18555	27732	79602	22196	38015	0	24806	55550	Phytochemical	0.4347826	1.0434783	0.08695652
16	C23 H24 O10 N2	489.15036	489.1511	0.06622769	489.1504	45591	59043	48628	49240	41956	31946	27190	33282	45414	134151	53034	17369	68422	19662	37100	32362	24578	54937	55652	99204	104970	93728	29962	48547	33064	38931	22311	30049	28893	22472	31720	28410	44711	23820	167650	25645	46880	28477	28983	99614	77147	21083	1100	0	0	92637	72162	0	39784	25933	49026	43194	33548	0	48145	44335	23982	39149	40518	18810	46191	75031	69223	44708	20627	54581	37172	26452	26560	69883	63544	28456	20253	21227	18855	25757	0	19217	37508	68302	24847	65394	25309	59306	43013	26913	44978	25167	27777	43508	47183	62807	80236	69663	108620	0	53672	53561	26611	36623	39510	41772	26584	37421	64096	54662	28487	0	33815	77260	Phytochemical	0.4347826	1.0434783	0.08695652
6	C23 H24 O10 N2	489.15036	489.15125	0.03244223	489.1504	6162	6382	5304	4764	4628	3384	2819	3219	7556	20005	10357	3313	9891	2320	3014	3665	3401	4842	8473	10699	16211	13147	2469	5533	1039	3190	2445	3848	2164	2620	2000	3387	4242	3170	19980	2207	4423	1364	4944	7869	19165	2667	0	0	0	8835	19670	0	2426	2952	6865	6212	3579	0	7514	5581	2387	3090	2503	3946	3208	7139	13657	5374	1252	9056	3184	5390	7246	5810	13203	2717	2274	1935	2175	3243	0	2383	4795	9381	3138	6225	2063	4218	7984	2504	3323	3269	3585	8598	0	5267	6453	11319	10574	0	8280	4301	4818	6261	9953	2359	2522	3354	7883	3249	5084	0	2562	11409	Phytochemical	0.4347826	1.0434783	0.08695652
18	C23 H24 O10 N2	489.15036	489.15106	0.05798735	489.1504	26217	27760	27662	38453	31905	20584	16060	18354	29366	88105	42126	11546	49643	16472	18180	18822	11032	33841	38434	51527	67922	72766	19666	26263	22704	17870	15473	25470	18871	14603	19874	18459	29698	12418	102557	11382	30670	14029	17706	65907	42855	20308	1218	0	0	63126	63087	0	23261	13633	34896	33227	21691	0	34878	26328	18265	23422	18738	11623	25812	49215	48008	34615	14638	33046	21255	14112	18071	36939	34451	19040	14991	8071	10802	10132	0	12948	26082	39488	17757	52290	16039	33397	24250	18729	23595	15226	19847	21987	30620	43020	44732	54841	71205	0	30962	30034	17192	29666	24779	25186	13116	24700	41549	25508	23991	0	19467	46329	Phytochemical	0.4347826	1.0434783	0.08695652
12	C23 H24 O10 N2	489.15036	489.15112	0.043332454	489.1504	53027	49078	44851	48971	34241	20374	23483	38599	36296	117154	68619	22652	44900	16245	20953	28847	30289	40040	44298	99144	114824	108367	31442	42204	25187	35475	16397	45797	24826	18036	28622	26076	43746	21683	166937	26411	30232	25689	32398	98327	104114	20094	661	0	0	107299	118165	0	26600	23575	39845	46060	31816	0	52514	33606	19153	51468	28267	30581	27724	73037	65749	39653	14761	44517	23723	32365	44536	65470	76342	24658	24471	23156	16422	24531	0	21224	33737	61599	25211	67049	20516	46141	36495	18276	33745	18650	20090	55333	34676	47072	51368	82639	76556	0	46173	50277	30207	43008	38889	28908	19441	32993	98202	33275	23189	0	25253	56551	Phytochemical	0.4347826	1.0434783	0.08695652
22	C25 H28 O10	489.17554	489.17618	0.05912199	489.17557	171707	167579	153823	163082	170261	132026	58114	109918	209123	474422	191849	74341	234423	118556	105161	88915	55304	235787	201578	357210	346582	205101	121603	118158	98540	292673	48185	153095	96767	80772	89373	89350	115870	77176	494650	84749	131789	87642	51417	236527	142225	75215	7425	0	675	231324	173860	0	93196	85117	163491	158618	120519	1107	224452	168094	90457	109117	104064	53166	105096	152720	273895	163442	69972	193796	101099	63451	231590	466959	353959	106507	74430	70452	44908	81111	741	74769	144326	94237	120291	141278	69307	157830	194380	111766	123005	75416	89129	77563	116182	149880	135627	124369	198571	0	145289	149491	154679	173750	148172	96190	70991	111037	152789	92395	156675	0	76874	275144	Phytochemical	0.4	1.12	0.0
10	C25 H28 O10	489.17554	489.17633	0.10341281	489.17557	13968	15691	11602	13259	6451	5242	10929	14861	6898	36344	14772	12153	7028	4268	10552	15831	12311	5697	9776	17925	13586	14893	10300	14384	7541	18871	11710	8730	11678	11914	13302	11755	10803	10371	48200	15569	12973	10384	13314	15833	37954	5200	0	0	0	16141	20028	0	14485	13790	14424	13037	4396	0	8612	6335	5358	14260	11594	16093	12662	7778	7211	6722	4589	5148	5604	13721	16421	20398	26831	11812	13604	13247	13367	12919	0	8874	18042	8003	13357	11901	13123	11570	11559	6077	12949	3323	4323	17419	7731	6701	13860	9734	12792	0	13658	12359	6901	7823	8225	11615	10528	15633	14526	8404	7595	0	11910	8235	Phytochemical	0.4	1.12	0.0
14	C25 H28 O10	489.17554	489.17624	0.04098948	489.17554	141305	142121	129749	141793	75340	64637	103657	124581	99970	511552	169711	89710	88279	52924	83157	125764	97104	92674	101635	490916	415324	158622	98266	136417	72433	192792	79825	141328	85796	107457	98434	124394	113923	85639	615960	109560	97780	85854	107262	286408	210270	58050	0	375	0	157171	198655	0	117848	104593	133673	125946	63549	349	105615	68975	58571	128515	121695	119414	133499	241276	100892	89738	48231	83301	57576	118857	209618	497236	553238	97113	93253	116119	83134	114378	0	84624	140303	94671	111914	116935	92161	242740	97675	60921	108380	65777	74390	152161	98778	95977	112370	118048	108646	1257	147405	118956	95294	85504	85217	110473	74211	141973	151939	103273	79511	453	95176	88568	Phytochemical	0.4	1.12	0.0
28	C25 H28 O10	489.17554	489.17618	0.080542	489.17557	11423	12074	12932	11609	15808	9228	4310	6540	19494	34607	12389	3929	33107	8829	7856	7680	5260	23332	20869	27725	28573	13045	8395	8098	5177	24620	2846	13759	3829	4625	5663	4434	5630	3602	32077	5443	9392	5354	3874	15872	11492	4449	0	0	0	15411	13462	0	5409	4979	12681	10959	12409	0	17580	14321	6034	7985	4153	2030	9848	9760	25946	13300	5410	18609	6678	2477	23881	42891	38032	3939	4125	2915	3702	3130	0	3055	12146	10237	9759	9614	4860	10260	19996	8649	11491	5206	4471	3769	7052	9081	9926	12857	16280	0	14166	10901	11115	17686	18187	5617	3141	7493	8201	5625	11118	0	5783	20630	Phytochemical	0.4	1.12	0.0
26	C25 H28 O10	489.17554	489.17618	0.022127671	489.17554	27734	27254	22623	25524	40557	23480	3779	13331	42604	77437	29454	9125	64134	19962	16871	14279	5997	55536	49222	63232	66342	31146	21141	18426	12659	44250	5474	18948	12478	7829	10786	8306	15527	7647	81564	7334	16811	13387	7855	33270	32667	7934	0	0	0	32624	28614	0	14702	10341	27691	22283	23843	0	50146	37540	14166	18650	12035	7350	16489	21304	59013	33567	11167	39781	16193	6756	50881	85595	82283	11894	9328	0	8190	7810	0	9547	27701	18044	25135	22875	13595	24941	49283	25030	20943	11638	14126	7356	17453	17757	16123	21602	36311	0	23501	30779	27961	41209	34947	12548	10292	13553	20383	13868	26694	0	11216	62712	Phytochemical	0.4	1.12	0.0
24	C25 H28 O10	489.17554	489.17612	0.042127155	489.17554	67962	70987	57303	62458	68751	54179	15473	31144	91340	183630	81107	25245	130927	42493	40598	41335	20160	97482	93925	141720	128286	72024	49438	43279	30563	116826	14676	52402	28654	23462	27839	27964	38310	26505	191903	26552	47101	31531	21024	90346	64825	24490	0	0	0	88938	76079	0	32283	27342	65056	61594	52641	0	97999	73893	34118	36846	29248	18275	43241	66474	118622	78775	26930	89831	42812	24778	105898	192903	167793	33817	25090	21059	22138	23403	0	25557	77308	34233	59499	58861	25757	55309	98826	41273	52523	23345	33272	29287	36849	42719	55708	57537	82755	0	73107	60879	65734	73887	74416	31701	23988	41561	55937	34304	65711	0	27445	133105	Phytochemical	0.4	1.12	0.0
14	C24 H28 O9 N2	489.18677	489.18747	-0.028406028	489.18674	70642	78069	74008	66505	34117	39236	51545	67006	44803	135827	69963	39835	54264	25499	55597	63832	47961	46772	53076	125787	116691	114660	48125	74844	65688	50397	48679	60799	76288	53435	53000	71709	77218	52095	163751	54653	76085	45650	57665	119969	91583	36833	0	0	0	84327	79054	0	68083	53531	61613	66171	40419	0	52154	42520	28583	75531	76372	41724	70836	77181	49251	45056	21924	52733	43251	51950	42793	101193	65239	58831	49542	50299	41567	55551	0	41434	56866	72982	49075	55754	50759	70435	34625	26977	51088	38847	41775	90963	79017	96255	117577	74505	90830	0	65619	62770	29981	59436	60990	61308	38254	76002	72852	66868	31863	0	52664	49614	Phytochemical	0.375	1.1666666	0.083333336
8	C24 H28 O9 N2	489.18677	489.1876	0.047916897	489.18677	24280	27370	21077	23896	10783	9210	11332	18825	14451	57139	24978	11530	17481	7174	12317	21858	15075	16635	20758	53395	50555	49753	15801	22804	10268	16682	9573	17939	16972	17223	15752	17452	18656	13170	68499	14097	26379	11485	18009	48600	40155	10261	0	0	0	45305	34390	0	23305	15157	23921	26530	11467	0	18568	11479	9470	20609	13810	9769	20025	24625	17959	15760	7418	17319	13426	16660	18781	36288	33641	16527	16596	15458	11112	15062	0	11829	20612	20304	12197	14889	12506	24528	9468	8298	16770	12375	12319	30687	24336	28842	33898	33924	43752	0	26490	25955	8346	14351	15991	19633	9743	27818	14714	20862	8765	0	14663	15952	Phytochemical	0.375	1.1666666	0.083333336
10	C24 H28 O9 N2	489.18677	489.18753	0.022123385	489.18677	43154	42704	33640	34467	21847	19891	24020	34967	21225	97729	44624	26023	33562	13072	18493	27024	22866	24840	33972	81559	82973	69193	22317	45667	23798	39409	19635	31827	27405	24870	31231	32879	35564	26043	112982	32158	35421	19681	28315	76353	57391	18433	0	0	0	55714	52710	0	35596	24434	46074	40008	17947	0	27496	22285	14901	36815	22732	29902	42709	38311	26411	26749	9218	24457	20072	27735	30885	65458	56150	28942	23819	21637	21707	25127	0	18652	33201	34779	25157	31171	21646	40386	16910	13978	25193	18232	18857	39282	47311	47847	54682	43781	63348	0	38523	38566	16603	28074	20778	34267	15619	44826	29969	29562	15926	0	26388	33128	Phytochemical	0.375	1.1666666	0.083333336
26	C29 H28 O7	489.19077	489.1913	-0.03480785	489.19077	4774	0	5083	2883	3781	0	0	0	5847	6512	13173	0	0	0	0	0	0	0	0	0	0	3974	0	0	0	38217	0	14508	0	0	0	0	2162	0	8581	0	1816	0	0	6303	11498	0	0	0	0	0	0	0	0	0	3424	2849	0	0	4777	0	3033	0	0	0	0	5797	3480	3042	0	3135	3332	2485	44842	22021	41620	0	0	0	0	0	0	0	2578	0	0	3262	2745	10447	0	0	2215	0	2902	0	0	0	0	5681	0	0	4835	0	4372	6156	11080	0	0	0	0	0	7325	0	0	3523	Phytochemical	0.2413793	0.9655172	0.0
22	C29 H28 O7	489.19077	489.1914	-0.020138599	489.19077	9023	11786	5189	7852	8029	3465	5262	5428	8188	15600	31826	4781	4965	11369	4395	5577	3748	6044	6576	23071	16586	6699	3714	10031	5988	67761	3676	22755	2639	3955	2100	5185	3346	4328	13145	2244	6338	2046	4123	16282	21034	5916	0	0	0	9285	12337	0	4713	3710	11256	6661	9181	0	5580	6631	6467	6166	4644	5480	6425	12105	6334	6206	3133	8664	4169	6963	56713	53591	77682	4063	2713	4449	2627	4553	0	0	10970	9637	5379	7078	3327	14136	11892	6069	9050	3249	6321	5450	0	12508	4926	10768	6063	0	8833	6446	7817	7886	6957	4171	3043	4975	5754	6211	7451	0	4014	4976	Phytochemical	0.2413793	0.9655172	0.0
24	C29 H28 O7	489.19077	489.19135	-0.06486309	489.19073	9350	7939	9431	10100	8050	2331	2883	2253	11465	18063	28707	2638	6729	7367	3182	6916	1983	5900	8844	18817	17427	6156	5497	3096	3255	79006	3257	30535	3186	3061	3015	2147	5149	3858	20290	3157	5126	4322	3846	19179	27046	3882	0	0	0	9860	13808	0	2383	2183	9189	8402	8254	0	6558	8573	6054	2403	2289	3378	1590	13888	9383	7467	4729	9260	7187	5292	69881	49226	82624	3491	2905	2295	2542	2649	0	3254	9998	11321	5285	9715	5101	21591	20185	9100	7715	5059	6486	8090	4180	4309	9154	11406	5255	0	6004	10446	8543	9840	11648	5133	2310	6530	7345	4256	8957	0	3777	6088	Phytochemical	0.2413793	0.9655172	0.0
20	C29 H28 O7	489.19077	489.19138	-0.0938801	489.19073	4808	5955	4468	2550	2607	2017	2009	3636	5912	8144	10730	2305	0	4806	2883	7152	4974	3113	1960	7849	6289	2256	3970	5908	3464	36387	1181	10307	3459	3236	4377	0	6866	1894	9816	2384	5555	1608	3964	6538	10356	4036	0	0	0	3554	3445	0	3849	3349	8520	1916	3109	0	0	2587	4304	3078	2293	3646	0	5258	3894	1646	2371	2954	4186	2475	33194	21231	33475	3135	3005	3243	2001	3021	0	2358	6131	6088	4773	2111	4579	14241	6955	2800	3798	3189	3282	4398	4559	0	0	2162	3947	0	4240	7604	4173	7353	2491	4603	3736	4574	1860	3179	3128	0	3158	0	Phytochemical	0.2413793	0.9655172	0.0
10	C23 H28 O8 N4	489.198	489.19864	-0.24495243	489.19788	11943	7352	11696	6613	3799	4845	7305	14665	2177	14740	2683	8724	2697	1393	10790	14856	11125	4792	7400	13081	15402	18762	9272	16292	8791	6239	7429	0	10517	8344	10649	10934	13946	11013	17137	9324	15947	7341	11492	8876	9929	2714	0	0	0	12759	7655	0	17003	13669	6559	11424	3297	0	3701	1934	4841	14789	6945	6615	11457	11447	4405	2831	2579	3936	3508	14340	0	10023	9747	12442	9696	8655	7083	10299	0	7674	10380	0	8083	6006	10295	5162	2527	4434	11367	6570	4183	19004	19806	12412	25437	8448	6872	0	5902	9033	2014	2694	2723	10247	5300	13200	0	14817	1615	0	9009	4252	Peptide	0.3478261	1.2173913	0.17391305
28	C26 H32 O9	489.2119	489.21252	0.00101263	489.2119	22519	20243	17793	20305	26758	13846	6389	15224	25677	49694	18912	9117	40866	14692	14149	16363	10026	28172	33345	42897	44008	19339	15964	18121	13245	43065	8447	20621	13853	17125	10910	14604	17122	13850	55051	14357	17877	10430	11550	26900	20260	11612	0	0	0	17046	10960	0	14982	14552	19288	19263	20077	0	27360	25000	8428	18265	9523	5472	18959	15096	33698	19287	9601	30516	12078	11709	43181	76121	75853	15414	9611	9716	10429	11486	0	9581	22967	11703	16303	9844	12738	17984	23815	12891	21690	9815	13201	12661	18676	19803	23079	14397	19536	0	20663	18884	15658	23175	32896	17156	7634	17259	11708	11624	16680	0	10005	26675	Phytochemical	0.34615386	1.2307693	0.0
14	C26 H32 O9	489.2119	489.21262	0.002077076	489.2119	93893	94330	78317	88194	44245	43156	79803	89279	56331	104871	80541	70809	48824	32934	64911	119505	99560	45122	57457	123230	100441	94430	74952	116823	66748	108050	76392	74086	66312	85617	71889	101293	83128	54164	110317	80853	75538	60746	105067	74241	119229	47638	0	0	0	77694	89329	0	94162	91123	93126	88942	43486	476	58608	47234	44504	112384	92025	91157	118316	51079	56216	59406	34500	45461	49432	99754	88878	112330	146793	63407	67341	91662	87658	88561	0	59629	108895	45240	85853	55762	81180	66742	70508	51430	111222	39299	44000	168970	71628	83201	112882	62030	64268	852	84495	77824	47679	65226	64283	81295	59766	99485	60055	86766	47442	0	82180	47761	Phytochemical	0.34615386	1.2307693	0.0
20	C26 H32 O9	489.2119	489.21252	0.05872722	489.21194	625261	639703	619259	572269	555397	412972	316806	571195	620357	1315309	732315	341052	658401	343274	503471	589196	342942	575871	706701	1339448	1254910	617332	482104	589172	426741	1311711	312052	687389	521791	462573	462727	498276	584096	451238	1435513	463680	609780	408150	365799	848090	604964	335556	12966	1568	0	580358	479938	2530	517821	456164	641125	634334	437140	1909	646991	466076	306501	559586	476491	303266	520311	531354	711041	541295	268094	551087	367761	395767	1010585	1833604	1623831	511953	479586	471711	382007	480543	412	402599	626527	326319	512082	338938	404107	633317	563489	339315	568067	325817	368914	441518	556059	585865	694404	364868	503955	3848	630084	619703	470727	497625	479853	521908	366984	595042	356302	484162	436940	1925	395124	725226	Phytochemical	0.34615386	1.2307693	0.0
12	C26 H32 O9	489.2119	489.21265	0.007877727	489.2119	33547	29515	30448	29713	13024	7393	30213	24341	13535	24722	21347	20054	16913	5546	22182	40088	32611	10910	16183	32903	29111	20629	21390	47767	19710	24957	26661	20532	22579	31258	21812	26454	28112	14412	26679	24476	18705	22290	34738	21112	36098	14370	0	0	0	24790	33546	0	25625	37543	28764	35673	11066	295	13515	11907	6231	31767	21513	17766	30354	14684	11302	13163	9179	10146	14340	44069	18242	27403	29611	20693	26190	33285	36578	24084	0	18878	32920	0	28058	15759	26185	17183	17573	8920	33872	6520	10692	55297	12491	28112	38017	13026	24047	0	31369	35159	15231	15229	16220	27953	18631	37800	0	21135	13704	0	29707	11542	Phytochemical	0.34615386	1.2307693	0.0
24	C26 H32 O9	489.2119	489.2125	0.038978342	489.2119	203841	201484	191307	200267	197248	156901	75775	157179	218895	461221	203657	94502	321527	122662	141543	155202	81114	248734	263658	422065	394095	197048	162123	184869	134086	368314	65102	192881	131165	123365	134377	144738	179955	128387	544662	129768	201062	122011	92311	272983	169779	97754	5721	0	0	197474	144498	0	151521	130767	197642	188234	150034	0	261982	176664	96249	162415	138492	77677	154409	179874	261302	197606	79362	224604	119753	99149	323951	640439	460745	155346	126467	112922	80632	120894	0	119479	183613	89110	162487	128007	102710	157626	215755	117672	169947	94714	120898	118154	171399	181236	228676	117996	178592	0	203367	188042	153110	177863	184362	152895	92750	165230	117959	148888	152389	0	113000	289981	Phytochemical	0.34615386	1.2307693	0.0
26	C26 H32 O9	489.2119	489.21255	0.010805995	489.2119	58494	61371	65761	62680	66726	41646	16527	53355	81496	130396	56857	27067	122716	46098	46844	54326	26512	89833	97410	127565	140795	57609	50310	61729	32820	124758	16852	58000	39927	45000	36972	36985	53195	39477	148039	48662	58668	37783	34826	77510	64437	30561	0	0	0	59668	45446	0	51570	41864	67087	54710	52787	0	90059	78395	34318	49292	38702	19475	57570	53149	99464	66508	25209	82933	44377	32753	127031	203634	187994	40476	39592	33588	24117	39003	0	31504	65950	34850	52837	37580	30857	55905	78651	46369	61417	34069	33687	34935	53043	47281	78535	44149	66242	0	61258	60294	49839	74238	76155	50367	24457	50453	40254	40109	52958	0	33471	97013	Phytochemical	0.34615386	1.2307693	0.0
22	C26 H32 O9	489.2119	489.21255	0.06979523	489.21194	492928	507411	433340	470270	448363	340363	209585	440040	500495	1140470	539369	230637	489906	286329	363303	384178	212436	593798	542517	1075392	1000574	459677	400121	436057	359541	928669	184363	527060	380494	305206	366034	377777	439487	330193	1299481	351260	492749	299086	232736	630946	396555	239849	11493	0	972	493426	336169	0	372997	341306	467553	499400	355194	1904	546597	401674	239118	432013	356201	190515	415300	401206	598135	444814	197588	442813	292432	240480	725181	1580772	1120051	392212	320852	320767	202326	333800	960	288088	450350	216520	377206	299685	287779	382420	442427	276233	431191	224583	270653	292782	401552	483544	507172	287478	441704	0	443466	456504	366862	372541	350031	391174	250760	412937	290491	361318	332516	0	286408	626457	Phytochemical	0.34615386	1.2307693	0.0
4	C20 H32 O10 N4	489.21912	489.22006	0.23428285	489.21924	1515	1282	1011	1169	0	1026	0	1775	0	0	0	518	0	0	830	1328	1202	1336	853	0	0	1209	799	1811	837	0	0	4217	1024	859	907	772	1193	1397	0	1391	1690	0	0	0	0	0	0	0	0	0	0	0	0	731	1101	1162	0	0	598	386	300	1151	0	0	2769	0	413	0	0	918	792	1359	0	0	0	2125	799	0	0	688	0	931	858	0	0	0	0	0	450	0	1230	688	447	1282	20396	7746	1484	700	0	0	1401	2149	0	393	469	0	602	0	0	1168	354	0	379	961	Peptide	0.5	1.6	0.2
10	C25 H32 O8 N2	489.22314	489.22394	0.09324653	489.22318	20250	16061	14067	19951	6185	7509	11428	20318	5422	23440	12650	8570	7388	4124	12249	15631	11639	6002	10675	32158	28320	25885	11506	22197	17541	13693	6639	10970	15458	14119	14395	16704	25823	15138	32592	16084	21967	9152	15040	29534	18875	8693	0	0	0	17627	13390	0	17784	14848	17146	15273	7107	0	10582	3187	4002	19458	4074	7335	17992	13713	5991	5586	3491	5814	8792	15148	6819	24584	12382	16205	12616	11782	12927	13446	0	11179	13543	14732	10047	8027	7509	16191	4413	5770	10414	9763	8429	21447	27628	19977	37918	19303	28623	0	16449	17242	3032	4252	5471	17344	7608	20823	0	16125	5052	0	13853	8419	Phytochemical	0.32	1.28	0.08
20	C25 H32 O8 N2	489.22314	489.22375	-0.057400975	489.2231	23557	20457	21274	21832	8685	13325	11559	22390	9963	27295	10469	11719	8649	7705	17469	21015	16067	17103	21956	36461	24593	26041	20355	30134	22824	5377	10282	15366	28937	17242	19960	27684	31876	22326	38667	19751	39766	19780	14982	36342	15087	12765	0	0	0	32538	11291	0	26820	18502	24433	19527	13131	0	13882	8351	8389	25817	22065	9827	30869	20436	12299	8791	7212	13805	13960	15782	5385	17065	10632	23492	23662	19701	16268	15741	0	20085	23626	9401	14377	12471	15388	19971	6961	10419	20669	19315	15415	26229	41505	37210	46317	17478	28266	0	21679	17208	5362	6035	8901	33749	13463	29390	11647	27800	8718	0	20739	13647	Phytochemical	0.32	1.28	0.08
26	C30 H32 O6	489.22717	489.22775	0.017792609	489.22717	7817	9539	8787	9358	8694	3299	3187	0	8589	4796	18736	5206	7258	4693	0	6808	0	0	8581	12012	11863	7789	5688	9069	8069	55750	4570	15576	7310	8977	7429	4666	6097	5033	6777	0	5725	3398	2939	15248	16462	0	0	0	0	7538	29674	0	5557	0	9636	10753	6526	0	5233	9224	4994	7391	6560	6167	6306	10056	6973	5975	3377	9570	13198	6567	54503	29007	38847	5134	4955	7031	0	4449	0	5053	18434	11784	4947	7008	6838	16775	9837	0	19376	5057	6574	7454	4448	8190	11681	13353	9816	0	8647	7868	5945	17634	17081	9054	5339	6020	8748	8047	7883	0	7159	2660	Phytochemical	0.2	1.0666667	0.0
24	C30 H32 O6	489.22717	489.22778	0.034788728	489.22717	12875	11639	16488	10169	13118	5024	7411	8387	10311	12200	30861	7032	9622	10234	9777	17153	11890	8014	12170	15077	17830	13895	15277	15364	13417	78057	7782	24531	9405	10641	10171	6872	11329	8101	20672	10262	12489	9593	10782	21936	29522	7871	0	0	0	11105	13324	0	16533	11279	11403	13015	14078	0	8034	12811	9986	13392	8812	10635	15055	17421	7278	8671	4704	11726	14721	13715	54416	48153	66493	7039	4893	6630	8835	7619	0	10465	18560	12895	12428	14208	9900	21909	15639	6446	29043	8017	10486	23048	8180	8923	16555	12462	10718	0	15117	10993	11992	21534	20936	14062	8353	13268	6958	15346	12549	0	13690	6456	Phytochemical	0.2	1.0666667	0.0
2	C27 H36 O6 S1	489.23053	489.23102	-0.27445596	489.2304	0	0	0	0	0	0	0	0	0	339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	341	0	0	36885	0	0	0	0	572	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	414	0	0	0	0	0	0	0	0	0	0	0	0	0	16040	0	0	0	0	0	0	326	0	0	1357	1621	0	0	947	0	0	0	0	0	0	0	0	342	0	0	0	0	0	0	0	Organosulfur	0.22222222	1.3333334	0.0
8	C24 H32 O7 N4	489.23438	489.2352	0.13632256	489.23444	2277	3317	4293	1895	1041	1415	1826	2918	0	2100	1824	1318	0	0	2100	2724	1811	0	1560	1227	1521	2733	2216	4005	3446	682	1526	3723	3052	2473	1796	2400	3616	1542	1674	2211	3824	2477	2616	2069	1242	1917	0	0	0	0	0	0	2981	3466	1964	2498	1062	0	0	0	0	2702	0	0	0	0	0	0	0	1061	730	3840	0	0	0	2368	3740	2214	1964	2785	0	2413	1616	19142	2263	0	1629	0	0	0	2261	1287	1210	3677	29584	0	7299	3227	2892	0	2921	2352	0	0	0	3307	2105	2810	0	3905	0	0	3906	0	Peptide	0.29166666	1.3333334	0.16666667
10	C24 H32 O7 N4	489.23438	489.23523	0.20331986	489.23447	2698	2631	3152	2032	0	1718	1623	2602	0	0	2110	1477	0	0	2539	2370	3407	0	2321	0	0	1801	1866	3555	2796	0	0	0	3223	5033	4454	4969	4681	3165	0	3941	4361	2560	3542	0	0	2034	0	0	0	0	0	0	2435	2802	2923	2928	1570	0	1160	0	0	3718	0	0	0	0	0	0	908	1133	0	4477	0	0	0	3309	4240	3495	2275	1737	0	2772	1763	9605	2360	1999	818	0	0	1205	3802	0	1794	4494	108385	17947	7372	3749	0	0	3440	2519	0	0	0	5120	0	0	0	8130	0	0	2920	1143	Peptide	0.29166666	1.3333334	0.16666667
14	C24 H32 O7 N4	489.23438	489.23514	0.29891944	489.23453	0	5886	0	17404	0	4576	5702	7092	0	16134	7880	9432	0	0	6314	7456	0	0	6676	8284	7990	0	9766	0	7768	11542	5083	0	7736	6398	6108	0	9272	7438	11400	9530	16002	4610	9362	5144	0	0	0	0	0	6152	13574	0	5458	4432	6378	4312	5526	0	4224	0	1005	0	0	0	0	0	0	0	2124	2444	4842	8556	0	11272	7386	4570	6248	6958	14766	0	0	0	7401	0	7592	2450	5346	4754	0	5288	10484	0	2970	0	41414	11433	15682	0	7611	0	0	0	0	4212	0	15540	6376	8010	0	7338	0	0	4302	4452	Peptide	0.29166666	1.3333334	0.16666667
8	C29 H32 O5 N2	489.2384	489.23834	-0.86612326	489.23798	0	0	0	0	0	3949	0	0	0	0	0	0	0	0	0	0	0	5115	0	0	0	0	0	0	0	0	0	2576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20107	0	0	0	0	0	0	0	0	0	0	41844	8261	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.1724138	1.1034483	0.06896552
24	C27 H36 O8	489.2483	489.24887	0.04430008	489.24832	519053	518238	485104	514671	546319	348769	254284	447101	537131	912964	564831	245034	631673	298537	389708	434525	285294	581146	766358	1066692	990092	471356	407828	473484	356455	1018888	241706	570575	421632	389368	386922	431524	516900	366025	1193363	430946	627362	323992	304856	633554	411636	270003	10286	0	0	445888	294668	2484	453212	370264	500908	496220	419318	0	719517	476490	259164	495049	403177	219335	498362	391788	638151	522801	209680	522319	348677	311954	843448	1549336	1204637	391607	361741	377252	248517	376489	0	318402	507852	242761	401928	265232	321141	405739	536477	317878	494363	256815	368161	328938	515454	541874	577012	294139	455129	2064	506554	499726	359558	478882	474839	498841	250954	506340	269189	404940	416462	2491	325068	654312	Lipid	0.2962963	1.3333334	0.0
26	C27 H36 O8	489.2483	489.24893	0.014819726	489.2483	174614	164087	168976	166762	179834	112870	79570	176864	198436	260560	175170	86664	238855	116079	144261	157486	93517	183626	250439	348991	317334	152688	134503	185781	128948	365399	84606	174541	171730	164750	157448	146988	186694	132985	351397	164057	215442	100134	103353	208509	148966	99245	0	0	0	164264	108162	0	164163	145844	173630	169919	136181	0	246129	191006	95273	173472	135673	72263	164385	125325	217846	165942	75651	174435	123223	106767	329940	514217	432359	132077	120551	146573	107812	125765	0	109439	171895	94376	131128	85977	116602	143673	205274	120305	153163	92616	110587	98999	156087	181650	208931	99657	160063	0	163208	199641	115885	205386	197627	170806	99830	183928	96302	123379	155779	0	103368	189177	Lipid	0.2962963	1.3333334	0.0
14	C27 H36 O8	489.2483	489.249	0.010791233	489.2483	26382	22587	21789	25224	10151	7910	28234	29806	10794	17198	13655	19863	7575	7196	18597	28160	45294	6475	13746	21035	13851	14221	22161	24160	21301	13809	29152	12978	20880	31343	21510	31576	16843	12498	12906	21037	16402	20765	44640	11076	13722	10882	0	0	0	14946	19969	0	26344	28089	27540	20320	11663	0	17733	13006	13959	29219	12502	28861	21422	5674	12533	13150	10663	9360	11493	46387	0	16032	22827	10957	14004	21327	36760	22558	0	17561	34776	0	25702	11976	22547	10966	18232	12546	33131	9741	10498	55448	14578	15843	29350	6550	9535	0	24757	18491	12617	19012	23133	23759	19377	30693	0	17464	17664	0	21474	10345	Lipid	0.2962963	1.3333334	0.0
16	C27 H36 O8	489.2483	489.24896	-0.05718932	489.24826	66845	75992	68184	72886	53101	37139	69624	85387	52477	59772	39372	59137	46860	32873	60649	88776	112242	43545	63060	64050	79190	53478	63733	89260	63904	72873	78889	38175	70366	80281	68474	86694	83403	35205	59531	76599	71261	59133	130123	47164	57952	39096	1139	0	0	40818	64258	0	81285	73574	71017	74451	44043	376	62126	60300	41302	73445	42843	62818	83229	25614	60740	61853	34767	49626	51491	117184	64967	77036	99582	35800	54951	80266	98303	65743	0	53905	113229	44475	80655	48621	62439	37889	84032	48086	110847	31842	39105	142363	66751	75149	88617	33406	46586	0	71530	70888	48860	84189	81093	81195	54645	76400	29773	65004	65928	0	83967	48080	Lipid	0.2962963	1.3333334	0.0
28	C27 H36 O8	489.2483	489.2489	-0.029934816	489.2483	32747	30608	35791	27165	42659	18253	24859	33068	34449	49906	35086	17853	45998	19501	20584	34875	24212	32615	50255	51097	55084	26354	25764	30257	20415	85032	22232	37349	30209	31741	26010	23773	35463	24672	59386	28434	35673	16342	23982	33665	33866	18530	1492	0	0	26116	18611	0	31422	28016	32550	27352	26298	0	43085	35098	15629	33924	18726	12756	34104	22825	47328	32347	16195	45955	24198	25497	73172	99813	126847	18961	17327	22928	19224	24356	0	14804	39499	16879	23832	13357	17569	24018	46774	22630	35367	15137	21227	27060	30475	32971	29856	14806	20231	0	31248	28494	25758	46629	43134	34116	17842	33192	14660	26265	27848	0	17061	36620	Lipid	0.2962963	1.3333334	0.0
18	C27 H36 O8	489.2483	489.2489	-0.033511728	489.2483	218514	223055	201411	192162	175140	103103	168674	199377	171707	194883	166020	152477	163715	93615	174469	241376	271385	138564	224132	249531	227939	160398	169158	228942	152733	275951	171606	153880	203776	192830	182928	232596	222546	157496	193457	199572	209173	160555	289896	148505	183529	122486	3717	478	0	131668	141468	457	211063	184642	198770	207194	147807	720	221631	176780	112111	231775	143928	170098	200133	102421	196576	164734	109302	170199	130252	315490	220293	284992	379662	133543	132978	178718	245362	216147	0	134745	280951	122948	217295	115425	149113	121152	230667	147437	244411	122627	125166	273570	194377	186146	239028	110064	146403	1021	198569	197761	150333	219238	236213	240860	136873	191731	99340	176352	147776	484	187117	175977	Lipid	0.2962963	1.3333334	0.0
20	C27 H36 O8	489.2483	489.24893	0.02946504	489.24832	462409	468409	452915	411260	452098	250803	304999	410769	434326	561891	417139	296808	403557	256437	370667	490742	445254	372038	529629	648903	657656	379417	370292	446977	322373	789422	325186	389956	384341	384779	339545	394351	464157	301990	579006	403972	455800	317310	465179	410754	419032	286667	10404	1346	527	310289	323799	1727	424504	362638	429439	445653	361059	2003	473590	384941	269041	472017	317292	305701	443460	260376	453240	410940	238348	394502	283443	478745	616905	907853	999772	303534	326247	364814	450571	379894	529	296190	533121	269301	393857	213753	338755	364372	506847	296713	551498	274830	308429	485873	429461	428488	494254	250536	325983	2176	453304	440534	338428	475745	445673	460191	286398	438986	224116	386947	408971	1797	366336	463191	Lipid	0.2962963	1.3333334	0.0
4	C21 H36 O9 N4	489.2555	489.2562	0.13346988	489.25558	1388	1679	1616	1734	0	3437	0	0	515	0	0	0	376	0	320	0	0	0	0	0	0	0	333	0	310	0	0	10418	0	0	0	0	759	0	0	0	629	0	0	0	0	0	0	0	0	0	0	0	0	0	1480	744	0	0	239	0	0	0	0	0	801	0	291	0	0	0	0	0	0	0	0	383	363	0	0	0	0	0	0	69899	0	0	0	0	0	0	520	0	0	499	135763	36231	0	5470	1391	0	1434	1234	0	0	0	0	0	0	0	0	0	0	0	647	Peptide	0.42857143	1.7142857	0.1904762
12	C21 H36 O9 N4	489.2555	489.25626	0.15132257	489.25558	9451	9249	7635	10748	0	0	0	0	0	5398	6438	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	83465	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14664	9902	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	139181	0	0	0	0	0	0	0	0	0	0	1622119	754242	0	34166	8074	0	10772	10206	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.7142857	0.1904762
14	C21 H36 O9 N4	489.2555	489.25616	0.3313322	489.25568	0	4825	2107	2027	0	0	0	0	0	0	4552	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3131	3176	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30289	0	0	0	0	0	0	0	0	0	0	777172	252038	0	4521	2393	0	3298	2782	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.7142857	0.1904762
10	C21 H36 O9 N4	489.2555	489.2563	0.033120617	489.25552	36973	41410	42333	30561	0	5613	0	0	0	20715	32086	0	0	0	0	0	0	0	0	0	0	2095	0	0	0	0	0	168437	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40646	39880	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	324945	0	0	0	0	0	0	0	0	0	0	4778561	1917416	0	79091	38655	0	40477	36072	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.7142857	0.1904762
8	C21 H36 O9 N4	489.2555	489.25638	0.2467623	489.2556	54893	50469	42741	58038	0	17573	0	0	0	15311	39311	0	783	0	617	0	0	826	0	0	0	4160	811	0	1049	0	0	243850	1127	0	0	0	1361	0	0	0	0	0	0	0	0	1297	0	0	0	0	0	0	1447	0	48007	43769	0	0	0	0	0	1578	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	842	0	0	0	518085	0	0	0	0	0	0	0	1093	657	0	5465441	3034574	0	109347	45601	0	56620	43241	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.7142857	0.1904762
6	C21 H36 O9 N4	489.2555	489.2563	0.24649306	489.2556	20846	22657	20681	20475	738	17576	0	757	0	8945	20049	0	760	0	533	0	0	882	0	0	0	2624	552	0	919	0	0	155586	1436	0	0	1073	2319	1024	877	0	2196	851	0	0	0	2497	0	0	0	0	0	0	0	0	21626	22028	0	0	0	0	0	1862	0	0	958	0	0	0	456	0	0	0	0	0	0	0	0	0	0	0	0	750	0	354151	0	0	0	0	0	0	599	635	0	0	2317097	1107750	2389	65721	22146	0	19645	17613	0	0	0	1220	792	0	0	993	382	0	797	1437	Peptide	0.42857143	1.7142857	0.1904762
14	C26 H36 O7 N2	489.25952	489.26028	0.21461071	489.25964	3319	5091	2664	4375	1785	1920	2860	5020	0	15146	7318	1944	0	0	1340	3844	5722	0	0	37281	15425	7788	2744	5939	5472	19239	3888	15749	7060	2401	2510	0	7611	3757	15786	4291	3964	0	2544	13155	0	1381	0	0	0	1933	0	0	2812	2135	5312	5814	1692	0	0	1020	0	6873	0	0	0	10711	0	0	745	0	957	3974	0	20065	8680	3053	3457	3990	3340	2519	0	1943	2856	0	2649	0	0	11534	0	0	4312	2296	2246	8700	4504	4526	8989	8515	11669	0	4725	9088	0	0	0	3326	2292	4683	0	4993	950	0	3054	0	Lipid	0.26923078	1.3846154	0.07692308
20	C26 H36 O7 N2	489.25952	489.26022	0.06307465	489.25955	6125	6233	4649	7168	5154	2383	5295	7841	1357	2046	1890	4588	0	1548	8100	10371	6445	0	2590	7449	1844	5322	4939	13319	9246	0	3368	2057	8342	6834	4430	14021	9835	9118	4001	8862	15280	4096	7767	11462	4794	4669	0	0	0	5622	4780	0	10314	8028	6156	5422	1799	0	2098	0	1580	12065	4691	3538	6502	2802	0	2354	2138	2569	6501	9698	0	2272	2164	9919	9934	7495	11027	9246	0	5649	3584	2492	4734	1219	7255	0	0	1316	5406	2944	3470	16685	23771	14839	16053	3501	4617	0	5079	4946	0	1732	0	13825	5211	7464	3582	9877	1299	0	7800	1547	Lipid	0.26923078	1.3846154	0.07692308
16	C26 H36 O7 N2	489.25952	489.26016	0.18461922	489.2596	2620	2540	4553	3299	1400	1761	2859	7295	2580	18995	7544	3475	0	0	2069	6705	3220	0	0	42963	21389	3831	2872	7006	6136	2614	3302	5345	4018	2168	3092	6154	8010	7826	19906	3580	4569	6031	8440	8075	2244	0	0	0	0	3224	1541	0	7410	4732	7331	4279	2046	0	1719	0	0	5335	1675	1527	0	5850	0	0	1330	0	1602	7049	0	17075	1468	5100	6052	4232	6948	3864	0	1669	5308	0	3364	1467	1001	6066	0	0	6720	3630	3041	0	9340	4683	0	4850	3720	0	3453	4302	1333	0	0	6848	4148	3335	0	0	1806	0	4994	0	Lipid	0.26923078	1.3846154	0.07692308
26	C31 H36 O5	489.26355	489.26413	-0.05299232	489.26352	8068	7419	9839	5920	6614	3246	6969	16799	5068	3775	11364	8417	4876	3950	13443	14058	13134	0	8989	8148	6725	5022	12671	10038	14625	37101	10508	15428	10201	17758	11647	10193	13990	6455	5020	13949	10201	11503	16401	9258	13621	6533	0	0	0	8282	0	0	14069	12414	9537	10050	5789	0	0	0	6013	14017	7569	9444	15414	4542	2172	4398	4078	6188	11872	19671	32817	13026	22695	8318	6770	7997	7559	13567	0	7839	13874	10691	9884	7601	10320	10756	7908	0	22225	4799	7273	13495	5362	7510	17077	11263	0	0	6836	8614	7704	10327	10054	16414	6658	13927	0	13006	6768	0	18225	4310	Phytochemical	0.16129032	1.1612903	0.0
24	C31 H36 O5	489.26355	489.26413	-0.022235082	489.26355	11589	12701	8380	7252	7281	1938	7598	10403	6473	2157	8936	10786	0	4027	10509	15754	26645	2832	8254	7832	8245	7856	8183	10165	12953	22360	10769	9710	9010	17511	13181	10767	12856	7922	3911	11731	11442	10305	28950	8134	17511	6608	0	0	0	6843	7470	0	9776	15523	10080	11279	8860	0	4089	4533	8152	13006	6154	11562	12105	6653	3849	3020	4334	4769	7743	24580	17341	10598	24536	6347	7992	9826	14017	14665	0	9118	19155	9242	16902	6877	11596	7602	5649	6236	27405	5369	8643	21642	8185	8943	20932	6170	6443	0	8560	10370	6401	6571	9180	17376	8055	14568	0	14713	5300	0	21130	1925	Phytochemical	0.16129032	1.1612903	0.0
2	C28 H40 O5 S1	489.26694	489.2675	-0.06205958	489.2669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	509	0	0	0	0	0	0	0	0	0	0	48855	0	0	0	0	0	0	0	0	0	0	443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43777	0	0	0	0	0	0	0	439	0	0	6028	4384	0	1467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.17857143	1.4285715	0.0
10	C25 H36 O6 N4	489.27075	489.27084	0.11664904	489.2708	1810	0	0	0	0	0	1122	2087	0	1547	0	773	0	0	0	0	0	0	1712	0	1643	1299	0	0	0	0	0	18876	0	1106	1121	0	3215	0	0	0	0	0	1656	0	0	0	0	0	0	0	0	0	0	0	1074	0	0	0	0	0	0	1572	0	0	0	0	0	0	927	0	0	2296	0	0	0	0	0	0	0	0	0	0	0	10361	0	0	0	0	0	0	0	0	1031	0	79732	13553	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.24	1.44	0.16
24	C21 H44 O10 S1	489.2728	489.2736	0.38622764	489.27298	8466	6581	9598	8173	12381	5156	4625	4101	8192	10438	8052	3234	7734	1734	4758	7256	8767	7021	14751	10030	12529	5148	5535	7317	5027	20563	3425	10471	7594	5846	5424	6042	11345	6836	10622	6031	7468	5477	7468	6900	6356	2880	0	0	0	6643	1869	0	10119	4269	5148	6660	5934	0	10746	5010	4692	9811	4355	3080	6591	5722	7135	10327	2614	6924	4575	5687	13851	26136	22836	5368	8016	5922	5514	6607	0	2234	7356	3286	5665	1922	6759	6784	10692	7251	7354	4031	5074	4018	4424	6252	6458	2749	5847	0	8872	7004	6443	9402	10194	9887	3496	9926	3969	6572	6353	0	7190	8698	Organosulfur	0.47619048	2.0952382	0.0
16	C28 H40 O7	489.28467	489.2854	0.07609994	489.28473	11814	11566	4320	7416	6610	0	19438	6620	9300	4644	5978	5098	6012	6922	10358	11180	29080	3694	4924	0	6170	7568	6344	9902	8940	5068	18096	0	6314	6830	5083	10678	7906	3850	0	12282	8220	9834	31904	0	0	5074	0	0	0	2538	0	0	7762	8028	9548	11286	7400	0	9122	17956	6436	8404	7802	7618	0	0	6428	3248	4798	3164	5406	37714	0	0	2880	3848	7164	17834	22256	8052	0	6418	16888	8312	15966	4358	10204	0	28712	12590	30754	3370	2966	0	0	5474	0	0	3252	0	7292	8312	14596	27060	34892	9622	4455	9038	0	33818	23324	0	15600	4848	Lipid	0.25	1.4285715	0.0
28	C28 H40 O7	489.28467	489.28528	-0.027259842	489.28467	45793	42538	50721	44002	61553	26964	49095	41536	57448	40972	48678	21482	66569	35895	35341	42230	43607	46960	84977	57210	54130	42543	38500	43335	54851	97060	37940	52650	55299	46864	42141	48883	71292	37128	67832	57097	61270	33862	38130	47297	41850	33264	0	0	0	37645	22863	0	40611	39939	43920	44339	46136	0	90225	64598	29425	55930	44455	21761	45809	32316	52934	54591	25275	60415	45033	46065	79265	83258	91607	30117	31032	48251	23464	38723	0	29615	61582	39150	37586	30991	41691	41643	90237	39175	80875	24108	35410	48989	47958	62308	58679	44559	33815	0	46310	46139	40756	96623	102097	75370	22778	58125	31976	47759	68190	0	40402	47489	Lipid	0.25	1.4285715	0.0
18	C28 H40 O7	489.28467	489.2853	-0.042365845	489.28467	29948	29371	29969	22328	28677	11689	33744	19838	27608	10595	10204	20261	18956	18107	17637	40049	67737	16280	37961	10041	10168	12060	15702	21542	19704	15435	36346	16864	25359	25857	25442	31558	36141	10373	8518	27991	23248	25406	53505	6848	14234	17287	292	0	0	8780	10369	0	26659	25265	31447	28672	27758	0	47402	34398	24068	34734	13981	28949	29038	6533	28794	31967	18633	22929	19778	62240	10347	13687	16551	9957	13850	30594	57753	38661	0	16701	39730	15118	34917	14219	22360	10989	51722	32003	52271	11732	15695	55414	19118	21060	29233	12303	7668	0	37413	27524	30675	62055	69879	40022	18400	19582	7287	21067	38475	0	32488	19504	Lipid	0.25	1.4285715	0.0
12	C21 H44 O12	489.29056	489.29172	0.2870905	489.29068	5297	6843	6372	0	0	3603	0	0	0	37303	48486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15888	0	0	0	0	0	0	6161	0	0	0	0	10429	4851	0	553	0	0	4178	11590	0	0	0	6328	3143	0	0	0	0	0	0	186307	0	0	27074	0	3800	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20123	0	0	0	0	0	0	0	0	0	0	358371	248646	0	11741	7843	0	4515	4197	0	0	0	0	0	19661	564750	0	0	0	0	0	Lipid	0.5714286	2.0952382	0.0
8	C22 H40 O8 N4	489.2919	489.2924	0.095289215	489.29193	3541	0	0	1854	0	6964	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18777	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1920	1369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45036	0	0	0	0	0	0	0	0	0	0	339596	199234	0	6534	0	0	2398	3423	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.8181819	0.18181819
14	C22 H40 O8 N4	489.2919	489.2928	0.6808429	489.29224	0	0	1537	0	0	0	0	3783	0	0	0	0	0	0	0	8282	1961	0	0	0	0	0	0	0	0	0	0	0	0	0	1091	0	0	0	0	0	0	0	3010	0	0	0	0	0	0	0	0	0	2089	0	2283	0	0	0	0	0	0	4900	0	0	0	0	0	0	0	0	0	3355	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	173186	68431	0	0	0	0	2532	0	0	0	0	0	0	0	0	4166	0	0	1655	0	Peptide	0.36363637	1.8181819	0.18181819
10	C22 H40 O8 N4	489.2919	489.29242	0.19103803	489.292	4148	6282	5906	3879	0	9952	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31208	0	0	0	0	1504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5752	4551	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	63655	0	0	0	0	0	0	0	0	0	0	720026	321315	0	10380	1529	0	5338	5628	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.8181819	0.18181819
16	C32 H40 O4	489.29993	489.3012	0.35129026	489.3001	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35443	15960	0	1454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46281	12212	0	0	0	0	0	Phytochemical	0.125	1.25	0.0
14	C26 H40 O5 N4	489.30716	489.3079	0.05657984	489.30716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42260	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	299788	0	0	0	0	0	0	0	0	0	0	312871	16476	0	9638	1543	0	3443	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.1923077	1.5384616	0.15384616
22	C29 H44 O6	489.32108	489.32162	-0.0910881	489.321	32967	35640	31702	36609	35333	18035	51694	31578	30021	5644	12313	30515	15470	30104	32240	54321	113833	15946	38093	7314	4385	12933	19622	18726	35140	5541	58930	12839	39369	43252	34043	42066	44966	24371	6747	53261	34822	35266	121506	2315	13560	23323	0	0	0	4253	10851	0	40973	29763	36786	36961	31396	261	39470	42966	30367	47353	13327	31534	32895	4252	19611	24714	29901	19702	30137	120991	7657	3928	11367	15810	22662	50218	84948	44188	0	26167	49125	19766	35044	12614	29819	8080	68975	38242	74204	26596	24529	103641	32865	29224	33774	8238	10200	0	30225	35015	30187	60133	67649	51472	26290	21993	6846	32487	47866	0	40949	15103	Lipid	0.20689656	1.5172414	0.0
20	C29 H44 O6	489.32108	489.3217	0.021626865	489.32108	6111	4376	7381	5399	3791	0	15491	5475	5001	0	2042	3804	0	8087	3028	10835	34513	1861	4108	0	0	2334	3378	3781	5524	0	11994	0	8415	8545	6492	8596	7001	2525	2773	6822	8225	5327	35923	0	0	3364	0	0	0	0	2474	0	10027	5595	7996	4654	3421	0	4639	5273	8935	8681	0	4805	5247	0	2604	3837	6619	2126	3922	35508	0	0	0	0	2782	10889	22945	7023	0	3257	13434	3347	4112	0	6486	0	11844	10041	19067	3461	2738	34323	4737	3353	2785	1319	0	0	6427	3158	5550	16489	23728	12835	4066	3545	0	7447	16623	0	10260	0	Lipid	0.20689656	1.5172414	0.0
22	C30 H48 O5	489.35745	489.35803	-0.0614556	489.35742	2690	0	1914	1465	0	0	5884	3495	0	0	0	2655	0	0	0	6564	28884	0	0	0	0	1615	1751	0	3080	0	6309	0	3233	6142	3066	0	1848	0	0	3984	1669	2029	25323	0	0	4692	0	0	0	0	0	0	3517	2692	1886	0	0	0	0	0	1937	3634	0	0	2704	0	0	0	3715	0	2140	26729	0	0	0	0	0	3371	10589	2602	0	1692	2061	0	0	0	0	0	3050	4533	7170	1864	1528	19283	0	0	2395	0	0	0	3013	2439	0	1800	1944	3435	1086	0	0	2851	1547	0	4617	0	Lipid	0.16666667	1.6	0.0
24	C30 H48 O5	489.35745	489.35794	-0.114349954	489.3574	12663	17500	15561	11643	7477	11973	33796	16587	2765	0	1357	14463	3579	11908	18606	31809	78264	3556	3758	0	0	12255	11059	3878	26618	0	34167	3806	15928	33918	15609	19001	13297	9144	0	25637	17278	18730	72885	0	0	13869	0	0	0	1254	1965	0	15618	28833	12198	12705	7896	0	1792	3981	8794	26432	1580	6729	18664	1047	0	0	16057	4327	16439	84905	0	1568	0	6385	10278	33259	41969	27053	0	10677	37329	20595	17426	0	5973	1778	9014	18144	42739	9971	12571	126575	8837	7086	62099	1126	1512	0	15535	15977	5103	10434	13446	24740	14603	3414	0	18475	12175	0	27146	0	Lipid	0.16666667	1.6	0.0
28	C30 H48 O5	489.35745	489.35803	-0.07787395	489.35742	8222	8463	10663	8689	5434	4908	54126	17457	4692	968	7693	8670	1721	8431	13095	23280	38337	0	8799	2133	0	4568	11401	4870	31344	5220	39146	9253	19223	26098	14608	16184	20958	9145	0	24863	18402	16244	31362	0	2760	9259	0	0	0	2281	0	0	11557	20343	11250	10645	5852	0	6426	8160	9114	19567	9022	5273	18181	4848	2353	4120	10943	5186	9215	41612	3392	943	1881	6389	6135	35565	12287	13774	0	7252	25983	16148	13742	6350	11545	7021	14016	15527	52270	4167	5249	46254	11394	10061	18793	4403	0	0	9917	11528	9157	18961	25270	28170	9966	8962	10186	14077	14196	0	20124	1424	Lipid	0.16666667	1.6	0.0
28	C21 H15 O13 N1	490.0616	490.06235	0.13481927	490.06168	5453	6670	5796	4883	10559	5092	0	0	9812	2381	0	1103	19620	3800	2267	2196	0	16547	12763	2482	4565	12550	4530	0	0	0	1489	0	0	0	0	0	1377	0	5471	0	1526	1042	0	0	4495	0	0	0	0	3637	13019	0	0	0	5493	3721	7880	0	15407	10108	3685	1415	1185	1098	0	3754	23428	12050	2960	11856	3249	804	0	0	1208	0	0	0	0	0	0	0	5687	6300	3770	2494	0	1078	14667	5522	4013	3170	3743	3333	0	0	3995	11641	8938	0	5806	3967	5893	8114	7295	2777	0	0	5924	1200	5959	0	1674	21060	Phytochemical	0.61904764	0.71428573	0.04761905
26	C21 H15 O13 N1	490.0616	490.0622	0.036629777	490.06165	2654	3044	3877	2776	10534	4518	0	0	6603	0	0	0	15960	2041	0	0	0	20429	10596	0	0	11088	0	0	0	0	0	0	0	0	0	0	0	0	3851	0	1638	0	0	0	0	0	0	0	0	0	7894	0	0	0	3753	3286	5111	0	13219	6875	0	0	0	0	0	0	17760	10538	0	10729	2973	0	0	0	0	0	0	0	0	0	0	0	5505	0	3360	0	0	0	11869	0	2947	0	2879	1500	0	0	0	9970	11858	0	2669	0	2292	7519	9957	0	0	0	0	0	5089	0	0	19760	Phytochemical	0.61904764	0.71428573	0.04761905
20	C21 H15 O13 N1	490.0616	490.06238	0.1705321	490.0617	1524	2666	3172	2226	4432	3341	0	0	13580	0	0	1254	9723	0	1834	0	0	5229	6727	0	2774	9131	1881	0	0	0	0	0	0	0	0	0	1828	0	2125	0	0	0	0	0	3351	2207	0	0	0	2316	7993	1398	0	0	4118	2172	3002	0	5526	5295	1082	0	0	1153	0	1948	15597	11922	2880	8862	1697	0	0	0	0	0	0	0	1371	0	0	0	2642	6356	2270	5100	0	0	9391	2481	0	4007	3298	2200	0	0	2049	21450	4788	0	0	0	4315	8581	5441	2462	1442	0	6945	0	5562	0	0	14847	Phytochemical	0.61904764	0.71428573	0.04761905
22	C22 H19 O12 N1	490.098	490.0987	0.18022826	490.09808	14031	10426	9686	9527	12128	12695	1791	1347	17090	26409	7843	2178	30295	7104	3585	4620	1635	26256	12843	9266	12756	35759	6435	3570	1383	0	1628	0	0	0	1124	0	2021	1584	27010	0	2258	3320	1256	17266	11494	3291	0	0	0	20953	37415	0	1769	0	8610	8085	8750	569	24455	17281	5699	2186	2407	3181	3519	9182	28796	22436	5193	17207	5283	2055	4600	2599	6565	0	0	1209	0	1078	541	1668	10500	25396	5442	22437	0	5712	27843	9376	4960	4219	4304	0	2100	3066	6014	39683	43247	0	8476	10239	10421	14963	18886	0	0	2849	30620	3246	14594	0	2389	31565	Phytochemical	0.54545456	0.8636364	0.045454547
14	C22 H19 O12 N1	490.098	490.09885	0.16662492	490.09808	20925	12588	18935	18636	21821	9631	0	2164	32042	59722	37532	5407	54351	9114	4066	4537	4308	28711	27595	33021	57537	75573	7978	5786	1934	5088	1535	7783	0	1420	1628	0	4266	0	66244	0	4018	4574	2739	25458	51452	8457	0	0	0	32276	71034	0	2343	1281	12321	17573	12905	0	27732	24722	8128	8376	0	0	0	30079	58800	33149	10208	33800	8780	2518	0	10334	20563	0	1447	0	3011	0	0	2497	12327	53788	8334	31374	2338	8857	33827	13060	9005	5552	9965	10899	4204	5203	10444	81399	59208	0	13883	14304	20881	30663	32129	5635	3194	4764	47537	5028	20708	0	2049	39543	Phytochemical	0.54545456	0.8636364	0.045454547
24	C22 H19 O12 N1	490.098	490.0987	0.13042676	490.09805	7281	6626	5270	3870	9713	4743	0	1215	10120	9554	2805	0	19634	3409	3445	1663	0	16514	10801	7316	11868	23724	4241	3617	2462	1810	0	2045	1304	0	1216	0	2335	0	13993	0	0	1282	0	7490	8570	0	0	0	0	15103	24289	0	0	0	8660	4792	6022	0	15266	12020	3345	2255	946	0	1601	5376	20261	11828	4444	10392	3843	0	2878	0	1465	0	0	0	0	0	0	1022	5872	13301	3540	12627	0	4942	18332	0	5913	4461	4647	0	0	0	2510	21415	29909	0	5993	6641	6862	9215	9349	0	896	1676	19575	1506	9708	0	3264	21604	Phytochemical	0.54545456	0.8636364	0.045454547
20	C22 H19 O12 N1	490.098	490.09866	0.0724545	490.09802	13102	21374	15802	15753	20431	20437	3757	2608	33647	30185	13396	2560	51056	6022	4665	5538	3047	36258	30807	22241	39392	62414	9677	7221	4810	1359	3566	5739	2937	1500	2673	1346	8215	1422	34552	0	6487	6274	3431	18347	24365	7510	879	0	264	35250	66890	0	2891	1345	15466	12793	16176	429	42631	27882	12994	4710	5061	5311	4469	25885	61110	31598	8534	31888	9835	3294	11279	5992	6231	2649	1196	1288	0	2193	0	3434	10277	39555	11939	35438	2136	12510	36197	17148	11409	8824	10318	3461	4188	7064	11811	65546	56882	0	16164	15923	21256	26501	29886	10938	3727	7858	39786	3552	25276	0	5463	49234	Phytochemical	0.54545456	0.8636364	0.045454547
26	C22 H19 O12 N1	490.098	490.09863	0.0701157	490.09802	4527	5365	7373	3346	6407	4200	0	0	12791	15561	0	0	20763	2512	0	0	0	13216	11036	8892	8654	16989	0	0	0	0	0	0	0	0	0	0	1478	0	13525	0	0	0	0	5927	6254	0	0	0	0	11429	17187	0	0	0	5973	3894	5087	0	18349	9045	3429	0	0	0	0	6036	17491	10070	0	10612	2273	0	0	3830	4167	0	0	0	0	0	0	0	5479	16298	4660	11219	0	0	14169	0	3209	2500	2392	1521	2602	1933	0	16904	23727	0	4668	5886	5007	5531	6329	0	0	0	10667	0	7505	0	0	19668	Phytochemical	0.54545456	0.8636364	0.045454547
16	C22 H19 O12 N1	490.098	490.09872	0.1097903	490.09805	19991	23715	16423	22913	35304	15224	5550	2176	44693	60998	38339	4724	66573	9482	5163	8427	6636	41599	36462	44872	64867	88940	11434	6685	1539	4993	5910	10822	2152	1826	3649	0	9556	2964	94630	2020	6243	5237	2455	39719	47431	11803	1008	0	0	54396	92734	499	5862	2120	22695	19919	21450	0	49428	32811	16416	7661	5471	8940	0	35933	75694	39349	15377	35103	15501	4334	16449	12779	16122	2196	1513	0	3830	1334	0	4186	14388	58360	9470	51434	3917	16664	40815	18665	10054	13647	14525	0	6423	12621	0	90033	94794	0	23934	25639	29417	38658	38452	7876	3050	6634	47556	0	31858	0	2955	58630	Phytochemical	0.54545456	0.8636364	0.045454547
10	C21 H19 O11 N3	490.10922	490.11014	0.11927106	490.10928	4508	3474	2938	0	9742	2832	0	0	7698	7122	0	1530	14336	0	0	0	0	7214	9852	5900	10068	16682	3128	0	0	0	0	0	0	0	0	0	0	1872	13717	0	0	1822	0	6870	13400	2940	0	0	0	6906	26988	0	0	0	4426	7522	0	0	14910	4926	1678	0	0	0	0	4268	23348	15610	3674	8738	3704	0	0	0	0	2382	0	0	0	0	0	0	4544	0	2156	9818	0	0	11828	2626	4488	3398	2714	4020	0	3604	4164	16298	6924	0	6502	5684	10368	11346	12864	0	0	0	0	0	4132	0	0	15732	Peptide	0.52380955	0.9047619	0.14285715
26	C19 H23 O14 N1	490.11914	490.11972	0.03998376	490.11914	0	3479	4957	2374	4028	7148	0	0	4911	0	0	0	4461	0	0	0	0	7277	0	0	12712	6600	0	0	0	0	0	0	0	0	0	0	0	0	4134	0	0	0	0	0	6142	0	0	0	0	26887	71317	0	0	0	3635	3250	3729	0	0	0	0	0	4035	0	0	8410	4668	0	0	1645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19368	0	0	0	0	0	0	0	0	0	2386	0	4880	0	0	3701	0	4003	0	0	0	0	0	41769	0	0	0	0	6848	Phytochemical	0.7368421	1.2105263	0.05263158
28	C19 H23 O14 N1	490.11914	490.11978	0.063401245	490.11917	4371	4248	2896	4411	5928	7088	0	0	4480	3957	3469	1962	5589	1420	0	0	0	7818	6543	10048	16030	5515	2255	0	0	0	0	0	0	0	0	885	1570	911	7174	0	1077	1704	0	5364	9433	2229	0	0	0	21564	61394	0	0	0	4510	2913	6211	0	5051	2076	1547	0	2885	2094	0	9755	5623	4949	2561	1948	2843	0	8397	0	5839	0	897	0	0	1064	0	1477	1375	7337	0	24623	0	1501	3520	0	0	1751	3607	1142	0	0	0	5800	3238	0	5800	5417	7480	1256	0	0	1858	0	45327	2209	5724	0	0	8642	Phytochemical	0.7368421	1.2105263	0.05263158
10	C19 H23 O14 N1	490.11914	490.12	0.23328216	490.11923	10368	9786	9362	10159	23694	8995	2617	3933	27520	5193	10709	7964	59246	3305	6329	6434	10913	33858	36508	6793	17339	16684	14627	7396	0	1178	3547	0	0	2560	3221	3839	6113	1482	8361	2468	5215	7901	4102	0	11311	18221	0	0	0	13303	38696	0	4214	5248	8278	10891	11179	0	30388	35392	12592	2424	2919	7741	8840	7475	43166	35146	10537	24008	9987	9618	0	2825	0	2806	3467	2948	8501	3266	0	5022	6741	9616	8392	8238	1272	0	38080	12463	5625	13558	11460	6712	0	2141	8120	21514	12420	0	10385	13404	29774	33641	45096	9624	7228	4170	0	5309	29390	0	1666	45251	Phytochemical	0.7368421	1.2105263	0.05263158
22	C23 H23 O11 N1	490.1344	490.13504	0.055031404	490.1344	18229	17799	18635	14966	24747	13464	3261	5614	29430	78315	20044	4540	41086	6864	6564	10056	2084	35115	23655	40798	49386	60398	12426	9887	4302	18482	1572	14420	4904	4125	3258	0	6146	3037	76067	2400	7383	5363	2327	32025	24062	8250	0	0	0	51315	60042	0	6338	2958	22369	22390	14522	317	32448	17352	7521	6921	4205	4032	3415	29589	46825	25914	8239	20690	11264	4630	22356	33640	36882	6271	1287	1476	3354	3469	517	3396	11399	29507	9403	41686	4974	21327	32587	16176	9820	6091	8872	4831	4794	16949	11320	46708	68555	0	19257	18736	19507	19809	21785	4653	2880	5897	41469	10012	19861	0	4071	43587	Phytochemical	0.47826087	1.0	0.04347826
28	C23 H23 O11 N1	490.1344	490.13495	0.047226653	490.1344	5650	4501	3908	4811	3984	5308	0	0	5153	22242	4717	1561	8167	1878	2345	0	0	8000	7122	10484	11954	10891	2931	3063	0	5872	0	2852	0	0	1692	1115	2654	1287	18535	0	1862	1032	1396	6880	6234	0	0	0	0	11023	14197	0	1836	0	2918	3507	3741	0	6391	2966	1615	0	1463	0	0	6443	9235	5796	1621	4050	2368	1018	8744	12634	10824	0	0	0	0	0	0	1206	3720	5798	1600	5416	2043	4276	8013	3527	3579	873	2668	2336	2454	4508	0	7593	16448	0	4542	3592	3156	1923	2716	2201	1095	0	10229	1345	3610	0	1252	10591	Phytochemical	0.47826087	1.0	0.04347826
16	C23 H23 O11 N1	490.1344	490.1351	0.07172973	490.13443	62978	60996	64154	59622	62773	38657	19562	22984	65273	219565	100182	9949	108310	28314	22144	27118	20783	96139	89342	177314	181315	164026	32614	24656	26487	73054	12237	54060	23426	14303	22336	19798	32208	17134	307998	15001	34124	20070	17561	128206	103224	23491	2039	0	0	134307	138225	0	25895	18745	64484	58942	47858	0	85308	57827	24795	25813	34331	18640	28702	86060	116936	63820	20298	74118	34444	16699	80353	111069	98037	21984	17803	15904	18306	14065	0	16977	43269	108203	27847	96926	22238	74677	62802	35415	33092	24873	30459	32439	47394	61422	42152	124024	187070	0	60367	74934	50281	47568	52554	31654	19499	35805	106853	40830	50119	0	22417	107202	Phytochemical	0.47826087	1.0	0.04347826
10	C23 H23 O11 N1	490.1344	490.1352	0.09411848	490.13443	17853	19877	14438	15371	19631	8644	6249	11386	20076	64437	35243	6125	30644	6869	6456	10286	4928	18179	22070	43283	51129	40966	10913	11058	5462	20694	4349	14715	4930	4841	5825	6492	10258	6604	82462	5895	10917	5775	7781	35768	44873	6892	0	0	0	31210	56988	0	9444	7552	21439	24714	9550	0	22812	18011	8702	9826	7527	10163	0	23257	30622	19881	7910	17786	9071	9526	38021	27785	38914	8242	5678	5585	6259	5092	0	3983	11560	21488	8607	25962	6641	11809	19985	8446	13279	7658	9551	11500	10110	12021	14794	40304	49928	0	17815	16550	16450	19066	17415	8611	6396	8210	28457	9451	12380	0	6080	27425	Phytochemical	0.47826087	1.0	0.04347826
26	C23 H23 O11 N1	490.1344	490.13498	-0.008128296	490.13437	5235	4035	4395	4132	7176	4795	0	0	8478	26100	5098	0	16948	3093	0	0	0	9756	6007	8860	16369	17705	0	0	0	0	0	1882	0	0	0	0	3237	0	26389	0	2060	0	0	8208	6911	0	0	0	0	16050	19751	0	2116	0	4349	4508	0	0	8501	7585	0	2140	0	0	0	5743	13695	7485	0	7577	0	0	0	14196	13549	0	0	0	0	0	0	0	5568	6470	3969	11651	0	4932	6750	0	0	2619	0	0	1519	2083	0	14598	28604	0	4731	6119	6198	4608	5444	0	0	0	9471	0	5008	0	0	13177	Phytochemical	0.47826087	1.0	0.04347826
24	C23 H23 O11 N1	490.1344	490.13495	0.049135547	490.1344	8910	6860	9189	9668	9991	8861	2674	2609	14494	35183	8619	1508	27206	5575	4132	3561	0	16679	14228	17718	27084	25849	4232	4182	1854	9751	1377	5891	2101	0	0	0	1464	1544	39427	1969	1661	3131	1559	9188	15007	4792	0	0	0	20650	29132	0	1416	0	4744	8696	6793	0	21494	9536	4480	2501	2297	1304	0	13313	21579	12076	2281	16981	5622	0	11884	18381	17352	2606	1271	0	0	1179	0	2018	5953	15448	3516	16116	884	6963	16378	5740	3689	3672	1345	1726	3685	3408	4425	27545	46959	0	5709	8004	9585	8810	5742	3923	2043	3363	21546	3568	6940	0	4095	27683	Phytochemical	0.47826087	1.0	0.04347826
8	C23 H23 O11 N1	490.1344	490.13528	0.13561071	490.13446	7634	9972	4914	6941	7511	4742	1519	3850	8635	33574	21002	2432	18179	3937	2487	3960	3968	7693	9606	15497	26244	20201	3769	3422	1656	6641	2097	7876	2136	2140	2837	2270	3739	2011	40412	1578	2613	2531	3817	12030	21004	2355	0	0	0	15557	30041	0	2781	2184	7460	7599	5382	0	11169	8172	3835	3154	2782	6550	0	13473	16892	10915	3218	9799	5263	4540	10258	7749	23030	1897	3297	2672	2601	2930	0	1875	7511	12601	5062	10933	2044	5891	9848	0	5561	2873	3542	8058	0	0	5339	16747	15926	0	8579	8063	7871	11499	9286	3964	2591	3514	11090	4694	7730	0	2041	16429	Phytochemical	0.47826087	1.0	0.04347826
18	C23 H23 O11 N1	490.1344	490.13507	0.07289436	490.13443	60848	59797	55397	50893	52520	37170	13687	20517	63355	209816	86794	12656	103837	32861	20121	22497	10751	78019	76097	156263	153686	149166	32915	24076	20735	68816	13774	61056	21674	17981	18971	13128	26083	21896	256795	15454	31387	19515	13447	119824	87069	23411	1772	0	0	129941	136703	0	12598	17233	51383	58452	43709	0	91285	52205	24475	25982	25997	14048	24755	79905	102884	62846	25254	70533	34911	12263	60826	91190	94209	15124	11339	10438	14748	15874	0	16101	38266	85763	22122	103054	15564	64998	55458	39157	41709	27796	29743	28624	30606	59317	47805	109289	174409	0	59182	55104	54450	46913	49109	24984	13829	28700	89843	20757	47150	0	18108	98659	Phytochemical	0.47826087	1.0	0.04347826
20	C23 H23 O11 N1	490.1344	490.13504	0.04182038	490.1344	34791	36826	30868	38324	37561	28282	8235	11240	55187	141076	46685	7639	78082	25483	18053	13070	5086	59050	54564	106349	95043	100528	20527	17099	13515	47464	7938	35480	8691	7306	11029	7561	14094	8585	157761	9016	15251	10404	5630	63856	54225	20492	1654	0	0	97285	105561	0	11725	8384	34042	35702	35698	410	61894	44064	17424	10929	14866	6665	17084	54035	76076	45129	20400	50637	22607	9937	54442	52945	52003	8368	8197	4447	5685	6436	318	10751	23038	66657	19043	69819	12447	50886	47591	25270	21790	15273	16592	15422	21972	38111	24798	85215	105177	0	34722	52562	34022	39138	43385	18199	7657	15731	87801	14389	37302	0	13602	75078	Phytochemical	0.47826087	1.0	0.04347826
6	C22 H23 O10 N3	490.14563	490.14655	0.14463605	490.1457	8251	8731	5083	8072	6867	2465	3693	7606	8875	10545	6438	5845	8125	1234	4241	7464	6673	6591	8991	10702	16004	12893	6071	5765	2343	1795	2364	2381	4825	4276	4820	5432	6554	3945	17212	4618	8000	2861	7764	7650	18711	3016	0	0	0	12453	21474	0	5257	4906	6411	7301	4401	0	11988	5885	2861	7292	4887	7589	5129	9563	12454	8330	2869	7601	5493	9509	3753	4061	7009	5595	4895	2761	3203	4156	0	6628	5228	3850	5576	7271	3754	2991	9211	5239	7975	4498	5809	14842	5248	6400	13675	9208	10947	0	8021	7125	4309	9562	5926	6166	4934	6861	7209	9871	6160	0	3810	13978	Peptide	0.45454547	1.0454545	0.13636364
8	C22 H23 O10 N3	490.14563	490.14648	0.13567628	490.1457	18125	22007	12015	18812	14156	5504	7363	13773	12440	26549	13556	12289	20368	4222	10759	18851	14969	14156	17422	17282	29000	30534	14006	18886	4337	3506	9502	6969	10402	10231	13397	13046	13232	10267	27611	10350	14088	9811	17173	23128	0	8670	0	0	0	31291	40315	0	12875	14042	19304	15650	10626	0	17289	11296	8103	15266	13572	16120	19249	21106	24102	19261	6325	18829	9937	18385	8478	9155	14821	11748	9694	9887	10308	12104	0	8889	15119	9597	12214	0	8063	9080	14438	6085	16332	11948	11139	23099	10847	15852	33658	21448	23869	0	23394	19814	9133	15244	12015	14166	10784	16867	17242	17677	9136	0	11058	22218	Peptide	0.45454547	1.0454545	0.13636364
14	C22 H23 O10 N3	490.14563	490.14603	0.069816105	490.14566	22243	25272	17272	24769	15660	12423	10146	18770	19838	18587	13424	12198	24165	6202	16663	25359	0	21520	25002	19252	29253	0	18414	25453	17193	5448	11364	0	12374	24572	9523	13523	25156	13287	34094	14447	18543	12951	24625	29339	28536	13528	0	0	0	34047	26608	0	18037	11564	17789	24155	13056	0	31922	10166	10043	0	18549	14603	0	27945	23758	18024	8693	19461	13227	0	0	15116	12089	14161	11564	10696	14655	12919	0	13966	21402	0	13269	20958	0	13282	18432	11885	24279	14679	21234	28938	7532	20656	37928	17647	19769	0	21116	18509	12244	21969	14000	24287	14577	18736	0	22748	12993	0	18279	34435	Peptide	0.45454547	1.0454545	0.13636364
16	C20 H27 O13 N1	490.15552	490.15622	0.017923575	490.15552	88767	88296	92373	85992	108240	91018	41443	106268	156825	103656	76029	55011	228423	43424	103419	69611	57529	206532	212826	174469	208521	150741	124823	95258	44214	27523	30391	29622	83900	76351	74653	59958	88865	55298	160477	84144	84242	69634	46489	110166	87335	74668	3352	365	556	305981	423976	567	56209	85406	96270	91666	95888	305	248830	115473	58990	55651	100335	40696	88257	117007	194718	156304	49887	110157	84315	44124	73436	57975	62915	80192	71041	79623	55317	59299	299	70179	66565	127720	61596	230276	32813	46703	109830	78323	44151	49516	68203	0	25500	64601	149081	104953	130665	961	107462	114717	110671	62881	79793	89571	59342	79768	317679	86367	115194	0	37208	197857	Unclassified	0.65	1.35	0.05
26	C20 H27 O13 N1	490.15552	490.15637	0.038452882	490.15555	0	0	0	3894	0	3141	0	0	0	10189	0	3940	0	0	0	0	0	0	4479	12303	16569	2795	0	0	0	0	0	0	0	0	0	0	0	0	5917	0	0	0	0	6380	6029	0	0	0	0	20896	36797	0	0	0	0	0	0	0	0	0	0	0	3269	0	0	6917	1802	0	0	0	0	0	0	4247	5114	0	0	0	0	0	0	0	0	0	0	21328	0	0	0	0	0	0	0	0	1711	2994	0	0	0	0	3085	0	0	0	0	0	0	0	27479	2540	0	0	0	5153	Unclassified	0.65	1.35	0.05
28	C20 H27 O13 N1	490.15552	490.15622	0.0790113	490.15555	6266	3023	5262	3054	0	3901	0	3130	3242	12346	3986	2206	3821	0	2131	0	2512	5568	3046	17830	19606	3659	3230	3684	0	0	0	0	1892	3660	2257	1575	2873	3158	12919	2467	2284	1854	1526	7969	7327	0	0	0	0	21140	32005	0	3229	0	4813	2873	2638	0	3302	2175	1560	1427	3327	1953	0	8844	2333	1896	0	2737	0	1129	5644	6287	8230	3861	2382	4172	0	2012	0	2885	1727	3462	1521	15564	1272	5390	2764	0	0	0	3361	0	1688	2969	2761	1667	4809	0	3411	3522	3596	1031	0	0	1403	3679	25354	3006	3071	0	0	2944	Unclassified	0.65	1.35	0.05
16	C24 H27 O10 N1	490.17078	490.17145	0.01855402	490.17078	103294	94374	91961	100547	69989	57649	44503	71137	76960	331394	135470	37754	105449	40811	58216	76874	50739	100491	100704	240217	257984	162037	67289	77790	63492	172932	39106	102771	66519	61691	65190	66066	83373	57991	380438	54275	75653	48227	46438	185949	128141	45686	2230	0	0	145069	127773	0	64204	61059	95785	100813	64045	0	98683	59889	41366	74980	75210	44729	79110	122062	119792	70607	31422	72771	47804	49854	154959	212806	192467	62286	61183	57723	45283	56041	0	40387	64523	108781	49825	101632	55470	121628	70400	44202	68935	45570	51454	63716	85906	102471	110945	118217	185213	432	103592	112482	57252	54410	60816	71382	45520	74326	93804	76042	56073	0	53509	105617	Phytochemical	0.41666666	1.125	0.041666668
14	C24 H27 O10 N1	490.17078	490.1715	0.027129823	490.17078	75796	70137	63358	75611	46159	43519	37075	52953	60968	230954	115295	34167	73095	30299	45381	48497	36978	61001	74602	164882	185832	152403	49702	67588	43894	121994	32089	99309	55157	49136	45706	52884	57369	46275	257983	49493	51193	33190	40111	132963	128049	36011	0	0	0	127890	112287	0	53893	41930	76680	79728	45059	0	75922	44972	25672	63284	67479	44023	62226	102247	75645	55279	25022	50008	38466	38908	110228	169440	124940	51905	46921	47447	34659	40528	0	34276	49987	70812	44461	66222	44833	87506	43768	30433	45573	42151	34899	74970	66426	78481	93674	91947	108776	0	77641	82275	42397	36604	41495	67022	34102	64787	66637	50158	29707	0	44620	66798	Phytochemical	0.41666666	1.125	0.041666668
6	C24 H27 O10 N1	490.17078	490.1717	0.11233061	490.17084	5968	6460	4077	5195	4106	2933	2092	3446	5626	17030	11096	1978	8213	2178	2811	4469	3224	5976	7517	14478	18553	12299	2493	5094	1947	6775	2922	4667	2400	2540	2593	2666	4216	2471	28622	3280	5640	3916	6821	11545	12044	2334	0	0	0	9703	13094	0	3453	4863	6881	6309	3983	0	7065	4085	1936	6393	3901	2357	3629	7361	9083	5970	1026	5007	3329	5572	6012	8126	13770	3118	2961	3497	2092	2962	0	2693	5075	4407	3739	6140	2089	6599	4926	2432	4876	2485	2344	5846	0	3738	6995	13101	15849	0	4716	6565	3395	5249	3913	3783	1746	4535	0	2916	3300	0	2555	7179	Phytochemical	0.41666666	1.125	0.041666668
28	C24 H27 O10 N1	490.17078	490.17133	-0.007939639	490.17078	5375	3105	4508	5218	5157	2999	0	2902	5388	18506	4665	1716	9024	1573	0	0	0	6052	6417	7338	11088	7291	2813	2416	0	10302	0	6125	0	0	969	1669	2179	1971	15628	0	3251	1161	2033	8806	7163	2785	0	0	0	7774	12075	0	3164	0	3238	4655	3206	0	7148	2313	1249	2850	1353	1110	1994	5155	6583	3620	1810	4074	3314	1702	9837	18424	21548	2270	1210	0	0	1756	0	1078	2482	4987	2850	3724	0	4686	4032	2043	3744	2052	1879	2531	3731	5039	2658	4590	7893	0	3777	4559	2815	2943	3756	2395	2042	0	5468	1800	2194	0	1752	6802	Phytochemical	0.41666666	1.125	0.041666668
18	C24 H27 O10 N1	490.17078	490.17145	0.031285793	490.17078	121827	108856	109457	95334	92945	60198	39979	72656	85822	339933	169134	43997	136565	41268	61384	80076	34469	115033	130989	299198	261061	155286	73587	91447	67398	191006	38303	137398	70789	55010	65361	56573	73104	51083	370234	63673	70752	48561	42843	216894	127263	55017	3091	0	0	164392	152824	0	68354	56188	97762	106014	63665	409	114216	77490	38443	71177	66259	39721	69343	139090	126762	73250	34419	89056	70790	43627	156410	266160	194682	62481	48427	52377	43914	56045	0	47343	65240	100715	53335	107811	56260	120344	101735	61405	60716	52720	51732	57707	96750	122751	109995	120831	191135	0	96571	108975	69280	70350	70453	77947	39618	81888	101744	68846	69067	0	51443	124320	Phytochemical	0.41666666	1.125	0.041666668
26	C24 H27 O10 N1	490.17078	490.1713	-0.05052773	490.17075	7850	5686	6424	7631	11586	6054	2151	0	9003	29329	8754	0	17967	2839	0	5685	0	16001	10652	14733	23309	13900	6650	5706	0	16857	0	4957	0	0	3113	0	4444	3437	27980	0	3699	0	2743	15217	14286	0	0	0	0	9031	16392	0	2915	0	8741	9051	6917	0	11150	7408	4139	4801	3629	0	0	7648	16023	10481	2759	10756	5904	0	12513	30067	30051	4390	0	0	0	0	0	0	6352	7178	5102	7848	0	9006	10911	0	6239	3284	2926	4882	3459	3264	5547	10386	18224	0	8814	9917	6784	6529	6743	0	0	0	9780	4069	0	0	3796	20527	Phytochemical	0.41666666	1.125	0.041666668
10	C24 H27 O10 N1	490.17078	490.17154	0.042204417	490.1708	28286	29852	28347	28591	18699	14662	13975	18364	22395	107414	48237	13751	29357	11700	13480	21848	14009	18273	25317	68937	82228	54837	16645	26199	11198	36006	11176	32666	13530	14958	16372	16967	24665	13517	112893	13839	18402	11428	18944	59268	60413	11130	0	0	0	47548	49093	0	20165	15737	28500	26664	16131	0	28546	14834	10115	21603	15394	18121	17498	29265	27485	23406	6683	24214	11619	18540	40795	51404	51015	16299	13680	13048	11278	14381	0	9814	21375	19734	15931	28093	14913	28671	19968	10292	18976	9846	12404	26773	21199	26211	25919	40976	49124	0	27751	32001	21242	36164	15801	20797	13457	26216	24113	14821	15521	0	11097	24686	Phytochemical	0.41666666	1.125	0.041666668
24	C24 H27 O10 N1	490.17078	490.1714	0.009855015	490.17078	16252	17846	12556	16959	19628	16145	3087	7358	21918	49757	19294	4453	29870	9272	6548	11150	4756	27431	26479	29763	35648	21881	11643	12197	4300	27893	0	15187	6079	4811	5509	6781	7716	4698	57205	5422	10447	6024	4818	32067	23024	6836	0	0	0	37183	36636	0	7484	3181	15751	12292	12835	0	22481	17057	5454	9101	4573	4655	7963	23397	25665	20118	8136	22119	6935	4232	31476	56477	58271	8245	3658	2980	5984	6396	0	5631	9140	10690	9399	18578	3715	18662	23833	10261	11437	7155	10754	4506	8741	8543	13485	18935	35151	0	14146	16095	16334	16415	14491	6806	6760	8079	25793	7559	16299	0	6374	29870	Phytochemical	0.41666666	1.125	0.041666668
20	C24 H27 O10 N1	490.17078	490.17142	-0.001361115	490.17078	92752	67983	77364	67474	73005	52845	26630	50104	78619	257653	110744	27595	114367	45174	40581	53632	22174	104116	105255	216565	200058	123399	40265	60854	40239	143101	23235	94769	40886	35999	35770	33803	59989	44172	292437	34007	49429	32068	23443	149559	94336	37504	3402	0	0	140966	121587	0	42019	40580	76283	71574	51627	225	83894	65669	36144	46917	43723	24967	53005	108800	101066	67485	32876	71046	50562	21390	124294	215481	164551	44824	30014	24650	31420	37956	274	32094	51530	79577	32218	86496	37105	109530	79320	49994	40303	40109	46474	37632	67663	82767	94977	96818	142792	0	82623	85074	61015	54642	71975	50109	26366	52219	101156	47888	62542	0	37722	113831	Phytochemical	0.41666666	1.125	0.041666668
8	C24 H27 O10 N1	490.17078	490.17163	0.06985881	490.1708	13060	17591	11315	13026	8586	5503	5225	9504	14570	57249	28978	4994	20355	4610	5716	11300	6463	11892	14424	36887	50482	34664	8614	11282	6641	12142	4330	15913	6241	6443	6142	8353	9541	7800	68873	6219	8937	6341	9305	28355	33434	6033	0	0	0	28804	31767	0	9839	8317	16845	15897	6658	0	13406	9857	4891	11262	5388	8753	11673	21365	18379	14116	3442	14614	6704	8155	25934	23744	39177	7471	7700	4683	6819	8019	0	5999	10345	12377	8747	15489	6690	17507	9624	5617	11714	4536	6893	14237	0	11859	14389	28766	38645	0	15720	13996	11348	11385	10971	8577	4078	14643	14016	7746	7607	0	8050	15052	Phytochemical	0.41666666	1.125	0.041666668
22	C24 H27 O10 N1	490.17078	490.17142	0.013527605	490.17078	45768	41192	34940	35497	41349	29481	9504	22783	45956	126660	61145	13716	53306	21597	18607	20022	7323	58824	49701	95168	110941	64869	26636	25598	21388	79903	10037	43798	18850	11467	20169	18932	23921	16842	145023	19270	22955	12987	10771	74552	54538	17401	0	0	0	90169	62506	0	19456	13190	39524	42793	30455	361	49375	34885	22856	22457	22353	10661	26826	56733	57589	39013	17807	40509	26473	9779	70272	115423	87906	16099	15170	8895	9938	9517	262	13260	25955	35621	22896	57395	9745	51042	48466	24102	23835	20469	21466	12524	27695	36497	39203	57159	89225	0	36838	39399	34415	31892	37944	19022	9742	23680	55263	26123	32868	0	17894	59078	Phytochemical	0.41666666	1.125	0.041666668
8	C23 H27 O9 N3	490.182	490.18283	0.040751398	490.18204	50260	41828	35088	42384	18782	18543	24300	41506	18956	44425	25366	28244	31187	10144	29191	46542	35347	21883	34608	49604	43813	62325	33859	59368	27615	8907	23519	16498	38560	31994	31783	43091	47973	31799	57464	38607	44652	25588	47161	52562	54676	18861	0	0	0	53057	0	0	45093	37786	35935	44688	20813	0	31450	21317	18868	47374	26796	36589	45851	29414	22909	24014	13639	25051	20855	49069	13303	23329	20919	0	33687	29601	32447	35181	0	25604	40427	25404	27708	24709	28478	25218	18584	13122	36708	23403	23282	65314	41526	54953	79075	33387	45989	0	36532	41059	17257	28044	28215	41845	23962	58325	37479	44931	15260	0	30960	22739	Peptide	0.39130434	1.173913	0.13043478
16	C23 H27 O9 N3	490.182	490.18283	0.14542829	490.18207	35130	31128	31800	33905	19202	54338	31992	40548	21252	17711	12539	23374	26270	14868	36646	42514	37987	35966	34858	26600	22761	46465	38324	50046	40143	0	25702	13662	37230	30505	40627	38690	53382	33579	24512	34587	44621	28957	35321	33279	24530	44648	330	0	0	30716	23233	0	47835	29152	26606	24301	25438	0	25708	18895	15520	45076	33433	20388	49257	19038	24917	16182	12447	23148	24389	34621	0	0	11926	30951	28517	23271	29054	29016	0	23626	42803	24606	29200	23673	29372	17660	18822	16461	40266	28957	31544	44727	37932	51873	113883	18982	29091	0	40331	37420	17643	18619	17395	38302	23219	40493	45988	51984	19646	0	37502	34501	Peptide	0.39130434	1.173913	0.13043478
6	C23 H27 O9 N3	490.182	490.1829	0.05567944	490.18204	23921	23766	20886	17814	10702	9285	12045	24802	10139	21447	11915	12337	17843	4929	14399	27973	19138	14905	17101	25933	27832	32237	19397	30736	12106	3948	11939	9204	17039	18771	20129	22587	21564	20627	29155	21355	24552	14348	24375	22641	30468	9806	0	0	0	23894	30940	0	23967	22750	22218	18873	10944	0	14588	13226	7146	26111	13294	21777	24179	18146	12683	12908	7413	15588	11503	31249	6389	11690	10756	20112	17295	14578	10797	17011	0	14723	19911	12999	16907	14482	14661	11560	10085	6962	20141	11447	10916	40731	20376	23312	40784	15330	24429	0	22784	20839	7060	18207	21563	21797	14425	31056	12614	22876	6314	0	15404	17818	Peptide	0.39130434	1.173913	0.13043478
22	C28 H27 O7 N1	490.18604	490.18658	-0.208296	490.1859	1598	2745	5645	0	1248	0	0	0	0	4059	5639	0	0	0	0	0	0	0	1928	2024	2553	0	0	1704	0	14929	0	8970	0	0	0	0	0	0	2848	0	1569	0	0	3620	6119	0	0	0	0	3099	4982	0	0	0	0	2398	0	0	0	0	1180	0	0	1850	2900	0	0	0	0	0	1724	0	15974	7771	23756	5661	2318	0	0	0	0	0	1683	1648	1361	1717	0	2931	1496	0	0	1975	0	0	0	0	2157	2095	0	0	0	0	0	0	1475	0	0	2186	2286	0	0	0	0	0	Phytochemical	0.25	0.96428573	0.035714287
14	C21 H31 O12 N1	490.1919	490.19263	-0.012231884	490.1919	102379	107888	98023	96708	67767	71194	83697	170516	103696	141132	86857	59853	159645	43076	152207	121556	78220	156251	143589	217461	183763	130817	149248	175465	113168	58531	56887	65697	159238	134661	98342	117414	135995	88603	194969	151409	108356	104420	57574	101416	72442	87951	0	0	296	202742	151779	0	97848	127530	99102	96003	68226	0	199376	92335	55054	107368	196676	58568	147349	110807	133386	134940	53655	96407	80931	59014	64905	85198	56685	107975	101987	147207	76649	93732	0	101200	91630	78153	87175	119977	67554	52922	95182	90321	88246	55762	68636	47588	64377	91071	152159	67567	101505	788	100039	141596	82552	65405	85023	147743	75598	160023	202404	85640	95715	0	65903	118127	Lipid	0.5714286	1.4761904	0.04761905
10	C21 H31 O12 N1	490.1919	490.1927	0.037098076	490.19193	21522	25322	24080	21359	13877	13110	12470	38149	20158	25513	15975	20156	25697	6611	29644	30651	23206	27486	26108	37224	36062	24611	30284	41466	20491	14672	14797	10121	37853	31861	24617	27262	25275	23663	37303	33933	24345	22700	20248	23167	21759	18534	0	0	0	34658	44451	0	25899	32107	30183	20476	13174	0	33035	16729	11632	22335	30080	22857	35471	17560	21978	22519	12661	18808	16576	22023	21587	17468	15587	25815	25246	36923	19241	26476	0	22578	23943	15907	23987	27934	20289	12973	26055	16005	20320	13751	12741	17515	10438	16839	37158	17130	20734	0	22381	34825	16365	15440	19654	34887	18680	34277	47450	19068	20870	0	11749	24992	Lipid	0.5714286	1.4761904	0.04761905
24	C25 H31 O9 N1	490.20715	490.20773	-9.78884E-4	490.20715	35176	33071	35823	37658	43894	30803	10857	29006	38769	92741	49551	14800	61755	15465	20526	30338	12959	54054	58700	89749	86076	40080	27328	33728	13699	96338	6782	34445	19565	18237	23035	17464	26486	19918	102450	20285	31633	15663	14757	59683	50257	18809	0	0	0	54926	49501	0	22306	21035	30383	36967	26365	0	43896	32595	17995	29291	20507	14257	31788	43313	50987	32473	12686	43584	23709	11661	94017	128750	109577	25646	19761	17588	15081	16898	0	18053	33378	17739	25582	28349	16604	35047	48184	13400	21900	19887	20342	26581	24893	30930	42116	28312	44246	0	33839	37332	25635	24346	29586	24983	10835	25885	30936	25234	27651	0	18973	62097	Phytochemical	0.36	1.24	0.04
22	C25 H31 O9 N1	490.20715	490.20776	-9.73954E-4	490.20715	89605	85177	76277	79835	78303	64140	30775	64170	87500	212232	107531	32281	99208	51525	57501	67374	38574	117819	107044	204531	207441	115628	64656	82375	63661	211025	29433	101176	60796	50265	57597	65230	75657	57931	245698	64325	80869	44476	32784	146763	96513	45478	3688	0	0	127609	97566	0	62154	57420	83484	85274	65578	639	99689	73601	41053	72437	60403	31193	78653	109191	89912	77079	32821	80033	61339	36839	165945	270384	215245	61762	57860	47434	34584	52287	0	49710	68685	58764	53741	65780	48211	87738	89372	49608	57055	43923	57496	54370	98315	92076	97706	67986	123774	0	82279	98781	63795	64392	67211	67268	42975	77555	72553	65397	68519	0	44886	101796	Phytochemical	0.36	1.24	0.04
16	C25 H31 O9 N1	490.20715	490.20786	0.005803665	490.20715	101298	101798	83286	82596	61545	42630	57561	91977	62313	187208	90892	54560	74315	32850	72079	102649	70935	81785	96782	201891	196818	122273	79152	106997	74973	157440	48486	94341	86211	83444	81899	91398	108349	68528	208705	87774	89402	61212	76663	147687	132438	57638	1494	0	0	102935	97758	0	94443	82921	91526	90987	53354	235	67237	35846	40691	94199	80415	65990	92111	84032	57418	55835	34021	61488	55771	79114	143347	211749	185098	78103	83107	89355	72905	78489	0	59223	83108	73651	58542	69867	70606	99458	59135	40607	78766	53248	52047	114728	110269	105198	168537	74488	122326	497	92701	88562	46771	42386	45330	96678	48599	99547	63198	93511	47596	0	69290	79946	Phytochemical	0.36	1.24	0.04
20	C25 H31 O9 N1	490.20715	490.2078	0.014209377	490.20715	134942	132785	130166	121359	106801	83192	63463	117344	115100	300037	158913	64185	132619	84384	80409	122526	68095	133936	141339	327112	302575	161145	99051	135329	95663	297052	55795	143145	109522	94089	98070	100390	121947	101167	325734	111153	138944	61133	63607	225909	160263	83773	3161	0	0	172315	142965	0	99594	98207	145184	137115	83273	375	117929	95612	57199	126215	101336	63100	139644	132209	121678	98829	49156	119709	84553	70318	242376	372166	312953	112592	93218	89854	71980	92777	0	71711	102799	90965	84876	88806	90751	168720	118366	61570	101071	78698	76745	92475	141776	148204	190063	97766	145172	0	124746	131001	97618	81791	86385	127663	63367	133271	106795	102779	85232	0	75486	133730	Phytochemical	0.36	1.24	0.04
26	C25 H31 O9 N1	490.20715	490.20776	-0.008881281	490.20715	17139	15890	17401	14125	19454	12175	5703	9558	11063	33093	13692	5006	25838	8555	10220	10104	6021	14621	19981	25390	33406	15591	14224	14791	7525	32291	3420	11251	7104	7739	7259	5221	12026	8094	34336	0	14342	7262	5118	19333	20690	7663	0	0	0	12930	19338	0	7610	9859	14148	18325	10844	0	14793	12140	5259	14246	7002	5346	9396	15429	17505	11475	3405	15746	7342	7061	37153	50990	56594	11443	5809	0	0	5260	0	5179	20509	8251	10983	7399	4849	13187	15800	7478	18695	7479	7112	15391	5485	15306	53336	9550	13338	0	15039	15575	8908	11788	13660	7386	0	10704	0	11336	6072	0	11667	19254	Phytochemical	0.36	1.24	0.04
28	C25 H31 O9 N1	490.20715	490.20776	-0.017316125	490.20715	6474	5149	6964	4413	7392	4862	1720	3743	6104	15490	5878	2768	9135	4833	3104	7416	4761	6353	5640	10366	14932	4907	6364	8525	2295	16879	2118	6532	3594	3657	3052	3450	4290	4037	13344	4892	6088	3615	4309	7563	5606	2800	0	0	0	6530	8499	0	4398	2852	5111	5753	5684	0	5017	4050	2962	5341	3290	1472	6357	4349	7671	5770	0	8245	4751	4841	20215	25808	31719	4494	3518	0	0	3570	0	3051	5258	3967	4902	3253	2267	5739	6317	4085	5724	4906	2893	5214	6379	6463	10758	4545	8249	0	4794	7029	2673	4930	3425	5714	1852	5041	3297	6341	3548	0	2806	8687	Phytochemical	0.36	1.24	0.04
14	C25 H31 O9 N1	490.20715	490.20786	-0.045484565	490.20712	49213	56467	54683	59351	30879	28220	36944	57420	29551	116898	56115	33810	37864	23465	39748	71000	52558	40028	49441	127889	122477	78771	44586	68386	44582	84844	28369	61651	48718	50877	45095	45449	53718	40873	127199	54417	58539	40097	50897	90494	77932	27876	0	0	0	70626	59538	0	48415	48518	58250	52042	31053	0	40372	24210	21548	78447	43473	44742	75524	62988	40664	36249	20151	36841	35731	47844	89017	121882	90857	48149	41723	44897	43390	40494	0	37892	48604	32000	44568	43434	37605	57545	33221	24925	47441	34133	30514	89277	65246	49206	95466	46043	78098	0	65886	65767	21911	20960	24526	63252	30377	67542	46305	45051	23348	0	41378	34461	Phytochemical	0.36	1.24	0.04
8	C25 H31 O9 N1	490.20715	490.20798	0.03696003	490.20718	16327	14510	14065	13487	5133	7233	7595	12349	7893	43943	19104	7646	9016	3215	8752	14287	9782	9937	10976	40543	38293	24253	9267	15662	7973	15812	6058	15924	10283	9168	9744	12094	13376	12108	51716	10078	15674	6580	10429	27646	23343	8116	0	0	0	17503	16286	0	15241	12349	18023	15072	7222	0	9204	6255	4453	12160	3816	7262	15643	11946	9277	8304	3897	10086	6896	11989	19298	30371	25298	9959	8259	7212	8342	8519	0	7748	10866	12370	8262	6821	6374	14530	6684	4162	9429	4647	7601	14645	21651	18771	20189	15137	29955	0	13691	15819	6001	6612	5514	8996	4045	18998	7046	11279	4128	0	6737	7102	Phytochemical	0.36	1.24	0.04
2	C19 H31 O10 N5	490.21436	490.21524	0.346824	490.21454	0	1653	994	1265	603	0	0	1109	623	391	3227	529	769	0	0	0	0	947	0	0	0	907	689	0	0	0	0	21175	1635	773	0	683	1572	1561	0	737	1542	688	1055	0	0	0	0	0	0	0	0	0	0	0	808	1652	853	0	466	311	0	792	0	0	0	0	508	0	0	726	700	510	0	0	0	1829	1598	794	0	715	0	564	0	65358	0	0	0	0	301	239	463	875	773	2048	23781	9525	0	12523	0	0	1667	2114	0	0	343	0	0	365	0	1024	0	0	0	921	Peptide	0.5263158	1.6315789	0.2631579
4	C19 H31 O10 N5	490.21436	490.21533	0.17115326	490.21445	0	0	0	0	0	551	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	319	523	0	0	0	7047	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	536	0	0	0	259	0	508	0	0	0	0	0	0	0	0	0	0	0	0	0	346	0	0	0	0	0	321	0	51572	0	0	0	0	0	0	0	0	0	395	15503	4593	970	5565	0	0	0	0	0	0	364	0	0	0	0	673	0	0	433	358	Peptide	0.5263158	1.6315789	0.2631579
14	C22 H35 O11 N1	490.2283	490.22897	-0.033912256	490.22827	22818	25702	20185	31713	13766	17883	27134	48781	23068	20074	13091	21737	32404	8322	46161	35732	31991	36091	34967	36246	27942	25018	50791	62061	38837	12335	18324	15000	43453	41690	32865	29933	43982	31957	27978	51092	29845	33274	21839	19451	8575	23665	0	0	0	37372	17353	0	31115	42140	21704	23206	16158	0	48621	24880	14220	35084	56519	13351	41952	14441	30386	22484	17660	25146	24182	19753	0	19210	12130	29218	31740	47279	24598	29201	0	28308	31551	0	31148	17762	22564	11665	29622	23543	35108	13999	16791	19003	23409	28895	54830	12503	16344	0	19709	41407	16808	27074	27722	42257	23343	43288	23524	28633	24897	0	21838	25097	Lipid	0.5	1.5909091	0.045454547
16	C26 H35 O8 N1	490.24353	490.24423	-0.032536075	490.24353	41895	39190	40355	41921	18681	20262	27054	46051	19298	49491	34885	28060	16033	15872	27743	50407	53100	28041	29158	75353	70503	38286	34909	48002	30418	63259	28221	29868	40446	38011	36942	39533	54848	31954	57578	39546	39795	27145	54086	45268	45599	21841	0	0	0	35035	35465	0	47706	39294	44498	40155	21909	0	18781	13794	16773	43764	19968	31161	40091	25398	18662	19189	13861	22726	24263	50645	49129	73598	71009	33371	33177	36728	36814	42070	0	24516	34191	27470	26282	17081	29022	33790	21353	19633	37548	21222	25561	105703	48178	45051	98889	27533	38209	0	38177	37712	16145	16905	18553	45315	23204	51074	20041	41046	23254	0	37511	16571	Lipid	0.30769232	1.3461539	0.038461536
26	C26 H35 O8 N1	490.24353	490.24417	-0.05310638	490.24353	27143	25570	28850	24519	33706	16065	5585	23640	22309	46243	30547	12922	36691	19333	16116	20274	11561	25490	35158	61279	61311	25505	19994	33976	12985	82527	7208	32649	23877	20518	16785	13854	18207	17785	54488	17724	27328	10446	15993	40268	37387	12080	0	0	0	26635	21516	0	20808	14246	25296	22203	24530	0	25535	26058	10944	24260	13639	10547	23325	18960	28132	21016	6747	30546	17333	16555	89383	94922	107381	24787	17719	13639	13464	14441	0	10406	19908	11063	19643	13522	12741	26686	28603	11223	21334	15628	16762	19429	24046	28843	31168	14362	21561	0	20040	28032	17490	23263	22707	22915	8288	25635	13931	19085	18864	0	12735	29288	Lipid	0.30769232	1.3461539	0.038461536
24	C26 H35 O8 N1	490.24353	490.24414	-0.006871596	490.24353	151630	72592	85527	74461	90410	58571	33896	78833	70683	150225	103949	34610	94114	50038	57376	88699	44573	94194	106575	190689	173453	86596	68546	94889	55036	217905	82580	106439	70706	66286	64935	68525	75528	68412	171360	67311	89262	43216	46842	128823	96888	47994	3560	0	0	98764	66165	0	64312	57982	81351	77024	70276	0	98685	70556	37793	84080	58384	39059	92910	75228	83161	70329	33408	87528	57536	49411	188179	280327	248281	68641	67566	0	43850	54094	0	50492	63746	44081	52066	56749	45763	82133	73364	46096	65768	47121	55713	63276	83442	94780	117466	53248	81580	0	85038	84071	54682	60024	73556	72022	36309	79972	61737	66388	59660	0	40958	80299	Lipid	0.30769232	1.3461539	0.038461536
28	C26 H35 O8 N1	490.24353	490.24414	-0.003303239	490.24353	7416	4333	5656	5454	7994	2746	1956	5382	6635	9019	7107	1818	7801	4171	3717	4635	3394	4651	8371	9948	13983	5902	3158	4980	4751	27871	2832	7630	6118	3444	4213	4460	3145	4227	12137	4426	4637	2347	5634	9109	8763	3359	0	0	0	3992	5089	0	5229	5793	5223	6786	5762	0	4173	4475	1480	5232	2323	3474	7063	5243	6706	4535	1746	8848	3057	5149	22508	28321	35058	4737	2237	0	2340	2724	0	3788	6101	2545	3323	2892	2952	4626	6390	2141	5810	4509	3496	6033	5445	6476	6847	3931	3489	0	5077	6477	4104	6075	6909	4462	1543	5478	2681	5369	2513	0	2376	7009	Lipid	0.30769232	1.3461539	0.038461536
10	C26 H35 O8 N1	490.24353	490.24432	0.056418654	490.24356	12995	10444	12376	10261	4737	4899	9218	13699	3292	23371	10151	6101	2777	2640	8280	15328	12959	4053	6962	27675	26109	14627	7237	16248	11732	14644	10257	11927	14978	13484	10221	16551	22629	10405	32219	12726	19906	7763	12401	20986	9386	4342	0	0	0	9496	10050	0	13350	11573	9903	12133	7061	0	7829	2234	3225	16922	0	2187	14258	11636	4052	5424	1566	3902	8792	17160	12326	25870	20439	14456	13693	14118	8907	11489	0	8069	10001	7264	5529	3442	2428	11077	2630	2975	9499	4721	6931	17635	19263	11615	28986	9106	14103	0	14744	14775	4224	1363	2028	17261	7346	19204	0	12856	2627	0	9067	3534	Lipid	0.30769232	1.3461539	0.038461536
12	C26 H35 O8 N1	490.24353	490.2443	0.039808106	490.24356	14882	13195	15396	12899	4076	7765	7858	18570	6222	22227	22282	7484	3766	3692	12260	14400	23988	5527	12835	39909	30500	24101	11467	20640	11554	20160	13404	13200	13600	11663	12466	14350	29483	15208	42574	15294	20016	8718	19220	26315	12457	9514	1401	415	281	15777	7523	526	14986	11641	14167	13836	7399	0	7334	3182	4945	15669	6903	0	0	9618	7447	6544	3695	6563	9220	26691	0	31584	26009	14506	12727	13554	11721	12391	0	14046	10045	0	8402	3470	3999	15418	6952	3711	10434	5551	6967	40274	21263	9898	26404	10588	18583	0	9669	14403	3973	3468	4250	14986	8517	12948	59768	19762	3848	0	9821	5271	Lipid	0.30769232	1.3461539	0.038461536
14	C26 H35 O8 N1	490.24353	490.24426	0.038043827	490.24356	24549	27967	19743	18750	9732	10774	12842	20971	10428	26322	16451	11427	6229	10039	15986	23976	26102	7687	12791	47199	47337	28149	12862	23555	20845	28626	14279	21000	17669	21652	17463	25305	25638	19436	41470	22936	28149	13742	25616	30434	21930	13043	0	0	0	22208	16110	0	16478	23353	14831	18731	11064	0	10089	4423	5714	27858	11433	13622	26599	13207	5717	6213	5839	7054	14000	27323	19205	37206	32063	16501	15533	17544	21312	16529	0	13567	16720	16116	15300	6978	9506	17941	7723	6656	21248	7952	14285	57296	25080	21355	43431	14571	25510	0	23331	20245	6849	5867	8640	23962	12791	25910	0	21970	6143	0	17953	4773	Lipid	0.30769232	1.3461539	0.038461536
4	C20 H35 O9 N5	490.25076	490.25186	0.22442113	490.25085	2565	3587	3173	1927	0	4514	0	0	0	0	3979	803	0	0	664	551	3119	500	0	0	0	0	0	0	0	0	0	47179	0	1174	0	1020	0	0	0	0	0	1009	3094	0	0	0	0	0	0	0	0	0	0	756	2195	2115	0	0	0	0	0	0	0	0	0	0	263	0	0	0	0	1415	0	0	0	0	0	1001	0	619	0	791	587	410686	711	0	0	0	0	0	648	0	0	867	187278	60584	754	21983	2443	0	2297	2246	0	0	0	0	651	0	0	512	0	0	1086	280	Peptide	0.45	1.75	0.25
2	C20 H35 O9 N5	490.25076	490.25198	0.43882748	490.25098	1701	1609	1174	0	0	15368	0	546	0	0	3064	493	526	0	0	0	772	644	0	0	0	0	0	0	387	0	0	88540	477	0	602	650	1080	552	0	828	0	381	0	0	0	0	0	0	0	0	0	0	680	0	1490	2140	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	722	0	0	0	541	935	0	0	0	0	817	398	325466	317	0	0	0	0	0	404	439	414	0	52793	22774	831	18659	0	0	1759	1312	0	0	0	647	0	0	0	527	0	0	507	425	Peptide	0.45	1.75	0.25
0	C20 H35 O9 N5	490.25076	490.25174	0.25468868	490.2509	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4090	928	0	0	0	1590	0	0	0	1262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	314	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3728	0	0	0	0	0	0	0	7028	0	0	0	0	0	0	0	0	0	0	21658	3619	0	1193	0	0	0	0	0	0	0	0	0	0	0	1259	0	0	0	1517	Peptide	0.45	1.75	0.25
6	C20 H35 O9 N5	490.25076	490.25162	0.2551255	490.2509	2699	2467	2682	2344	0	2526	0	0	0	0	4702	0	0	0	0	0	0	0	0	0	620	0	0	0	0	0	0	64502	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1266	3007	0	0	0	0	383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	267919	0	0	0	0	0	0	0	0	0	0	189412	63874	0	29542	4730	0	3639	2345	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45	1.75	0.25
28	C28 H36 O5 N1 Na1	490.2564	490.25693	0.06763884	490.25644	0	0	0	917	0	0	0	0	0	0	0	0	0	0	0	0	21916	0	0	0	0	0	0	0	0	0	1623	0	0	0	0	0	876	0	0	0	0	0	25210	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21158	0	0	0	0	0	0	2633	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.17857143	1.2857143	0.035714287
8	C23 H39 O10 N1	490.26468	490.26556	0.24701872	490.2648	1077	1109	0	2382	0	1064	3302	1207	0	0	5577	0	0	0	0	0	0	0	0	0	0	1395	0	0	765	0	9827	18135	1292	1239	1178	1388	1839	0	0	1333	914	790	1374	0	0	0	0	0	0	0	15474	0	988	0	982	1048	0	0	0	0	0	1052	0	0	0	4452	0	0	4855	0	708	0	18113	0	26791	1531	1008	1072	1191	0	0	911	0	49362	0	615	0	0	0	0	0	0	0	0	15059	0	0	1467	0	0	0	0	0	0	0	1116	731	0	0	1483	0	0	710	0	Lipid	0.4347826	1.6956521	0.04347826
10	C24 H35 O6 N5	490.26602	490.2664	-0.24767782	490.2659	0	0	0	1195	0	1893	0	0	0	0	0	0	0	0	885	0	0	1090	0	0	0	0	0	0	1490	0	978	16121	1385	0	1702	0	0	962	0	1410	1269	0	0	0	0	0	0	0	0	0	0	0	2068	0	0	0	0	0	1141	0	0	1281	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1980	0	0	0	853	0	103089	0	0	0	0	0	0	0	0	0	1266	77698	8492	0	3477	0	0	1154	0	0	0	0	0	1307	0	0	1235	0	0	844	0	Peptide	0.25	1.4583334	0.20833333
16	C31 H39 O2 N1 S1	490.27744	490.27753	-0.9595349	490.27695	0	0	0	0	0	0	0	0	0	0	0	0	0	1735	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	715	0	510	0	0	800	0	0	0	0	0	0	0	0	0	0	2517	0	0	1429	0	0	0	0	0	0	0	0	0	0	0	0	0	0	486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	894	0	0	0	0	0	0	0	0	82790	0	0	742	0	0	Organosulfur	0.06451613	1.2580645	0.032258064
28	C27 H39 O7 N1	490.27994	490.28052	-0.07427772	490.2799	7332	6101	5343	4419	15510	2574	3535	4617	5624	7149	8096	2990	6873	3371	2748	4733	8188	4241	8608	10548	8994	5620	4070	6407	6862	28927	3676	8817	6212	5360	4671	4250	8208	5287	8888	7861	5184	4360	6022	8263	9160	2934	0	0	0	5629	4322	0	4875	5209	7827	5080	7066	0	8443	8715	3382	8307	3694	3919	6030	4164	6750	6869	3872	9505	4815	6505	25775	21007	33411	3085	5301	4342	2772	5606	0	2680	6772	3757	3769	4202	3783	6746	10829	3585	9046	2522	4152	10196	7220	8543	8450	4215	1836	0	6190	5632	5937	12294	17380	7382	2415	7890	0	6019	8546	0	4456	6034	Lipid	0.25925925	1.4444444	0.037037037
26	C27 H39 O7 N1	490.27994	490.2806	-0.047839172	490.2799	44326	44278	49571	43610	91531	30781	20983	47769	49989	56292	53947	21944	59036	33340	36503	40280	32751	39844	69860	92955	85277	46795	40649	54525	44919	142858	13552	66802	54622	47297	43718	39507	54782	0	66311	46163	54250	29034	35434	66784	52738	34208	0	0	0	51093	42002	0	44954	42553	51379	46118	50276	0	66938	56136	23405	45494	37152	23372	52912	35893	42616	38484	19302	45221	36902	36678	133119	134730	146444	41192	42475	42618	30383	39078	0	27004	45557	30791	27723	29238	34524	53866	74940	37349	56724	26295	36713	50346	52791	58714	68081	32776	37185	0	50964	56510	41982	79264	77798	70653	23041	61078	29877	42638	72020	0	34370	41748	Lipid	0.25925925	1.4444444	0.037037037
18	C27 H39 O7 N1	490.27994	490.28058	-0.016681485	490.2799	16002	11381	10537	15664	8586	5035	12369	20863	3711	5825	7725	9970	1847	3910	15409	21228	24886	5761	11760	11039	17109	12249	14911	22313	15167	22637	14949	13913	16236	17956	20311	16227	20046	16573	6977	22318	21008	11515	23677	12921	10172	7276	0	0	0	7502	5522	0	21666	13653	11458	9979	5417	0	6154	7188	6321	21818	4513	9280	20382	6132	4087	4817	6774	4316	4292	27521	14235	19963	25466	11482	11826	19414	25745	17531	0	10018	10814	7296	8904	4296	6508	6947	10986	6374	13835	10694	9550	27578	26888	13064	67933	8492	15808	0	14722	14260	3534	3006	8374	26361	10984	12704	4929	26071	6533	0	13600	5534	Lipid	0.25925925	1.4444444	0.037037037
20	C27 H39 O7 N1	490.27994	490.28052	-0.056797028	490.2799	42377	42783	31263	35732	49074	21715	33110	37770	28532	43028	27218	30807	18223	15526	21554	55652	59874	29523	39675	58387	58128	32031	25235	43980	32043	93371	32370	30352	38213	45774	29955	37163	53622	34720	30831	45935	47046	25208	52532	35341	40656	25973	435	0	0	26202	33790	0	34476	38382	35030	33044	26104	0	28485	29465	17907	42793	19670	31922	37597	18388	18753	19260	17526	27161	24899	56302	69076	68835	79568	26625	32855	38994	44327	37509	0	28599	33379	28384	27182	11273	23913	25566	36763	24513	35800	23877	27039	55752	41699	39282	53313	19818	29774	0	29073	39464	24919	25925	32148	51907	25720	42466	14153	37446	38215	0	30193	27976	Lipid	0.25925925	1.4444444	0.037037037
14	C20 H43 O12 N1	490.2858	490.28662	0.082776055	490.28586	6299	5433	4120	5406	3035	3657	5193	10976	0	6426	23217	3472	2048	9531	5856	4206	4423	1690	3707	5896	3805	0	4453	0	3989	7226	10204	50967	3218	4329	1448	0	0	2267	0	2747	1854	1311	2418	4760	6361	4387	35882	8761	8983	17319	30229	7999	1735	5286	3058	6373	1314	20103	0	4012	2947	1740	104631	17487	80506	36299	0	0	4671	1881	16232	2058	35440	10987	11265	2795	2443	3043	2515	0	15344	1578	0	94552	1424	2327	2532	0	2871	7620	0	0	2817	0	3253	0	2138	6355	7446	7165	4165	6699	2778	1038	3437	1865	3021	33093	538371	1477	2726	10862	2085	0	Lipid	0.6	2.15	0.05
12	C20 H43 O12 N1	490.2858	490.28662	0.1834036	490.2859	673608	646977	656374	591602	201022	221948	272258	177982	61064	749255	1744120	67383	160528	480821	56270	247848	255293	82670	81823	569312	181918	405858	85933	358986	65848	74230	890630	1499266	93357	134179	61243	69803	88408	54331	110749	110810	73032	82595	137053	1038548	1913944	205047	515903	45294	53350	1906076	2216377	93322	92897	168838	447666	671595	81499	79050	46660	21222	57415	474254	3179802	1210784	3109288	1626368	727548	49700	73831	444262	707986	366469	2096530	725398	935070	74537	39142	98057	103837	81888	101656	52724	30111	2214206	35611	109190	42748	44403	49144	67973	32893	155238	123641	509015	955306	406694	416010	768296	826463	70028	580270	865006	87054	29834	67656	165800	38842	1288617	25043316	79020	53262	104824	30919	248118	Lipid	0.6	2.15	0.05
22	C20 H43 O12 N1	490.2858	490.28683	-0.102930464	490.28577	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	93803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1148	0	0	0	0	0	0	0	0	979	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1195	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	75900	0	0	0	0	0	0	Lipid	0.6	2.15	0.05
2	C21 H39 O8 N5	490.28714	490.2881	0.29706052	490.2873	0	0	0	0	0	0	0	0	0	0	0	0	0	0	426	0	0	0	0	0	0	0	0	0	0	0	0	121622	997	866	487	913	0	1061	0	1871	0	515	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	620	1499	2433	0	911	0	0	0	31747	0	0	0	0	0	0	0	0	0	0	23812	8401	0	1896	0	0	0	0	0	0	0	0	427	0	0	0	0	0	0	0	Peptide	0.3809524	1.8571428	0.23809524
4	C21 H39 O8 N5	490.28714	490.28818	0.31120864	490.2873	448	589	0	0	0	1453	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8827	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	447	405	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	98213	0	0	0	0	0	0	0	0	0	0	52532	19333	0	4075	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3809524	1.8571428	0.23809524
6	C21 H39 O8 N5	490.28714	490.2878	0.10497383	490.2872	910	1351	944	1578	0	1799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32519	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1402	1175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	210919	0	0	0	0	0	0	0	0	0	0	133807	51998	0	10884	0	0	0	1085	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3809524	1.8571428	0.23809524
8	C21 H39 O8 N5	490.28714	490.28796	0.06653906	490.28717	0	0	0	0	0	4329	0	0	0	0	1684	0	0	1180	0	0	0	0	0	0	0	0	0	0	0	0	0	15478	0	0	0	0	0	0	0	0	0	0	0	0	0	1021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	700	0	0	0	0	0	0	0	0	0	601	0	0	0	0	0	0	0	0	0	0	0	0	149065	0	0	0	0	0	0	0	0	0	0	73252	31424	0	7455	0	0	885	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3809524	1.8571428	0.23809524
26	C29 H40 O4 N1 Na1	490.2928	490.2934	-0.06216502	490.29276	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7645	0	0	0	0	0	0	0	0	0	3050	0	0	0	0	0	0	0	0	0	0	3521	6682	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17390	18356	0	0	0	0	0	0	0	0	0	0	11066	0	0	0	0	0	0	7288	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30352	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13793103	1.3793104	0.03448276
16	C28 H43 O6 N1	490.3163	490.31705	0.07023871	490.31635	0	0	0	0	0	0	0	0	0	0	0	3348	0	0	0	0	0	0	0	0	0	0	2568	0	2782	0	3040	0	0	7328	5548	12038	0	0	0	6426	3754	0	0	0	0	0	0	0	0	0	0	0	5386	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3342	0	0	0	0	4890	7206	3308	0	0	2776	0	0	0	0	0	0	0	0	0	0	0	0	46850	0	0	0	0	0	0	0	0	0	0	0	2468	0	9076	0	0	0	0	0	Lipid	0.21428572	1.5357143	0.035714287
22	C28 H43 O6 N1	490.3163	490.31693	-0.050013535	490.31628	4816	7346	7070	8293	8280	3978	11764	8027	5345	1782	9436	6707	3518	0	4773	10948	25219	4621	8354	3895	5163	1624	3624	5751	5752	12191	17570	9154	10719	11555	6597	8686	8412	5006	2122	12525	7639	7439	17837	4449	11248	6466	0	0	0	0	3500	0	8224	6563	6367	7023	7308	0	5880	3838	4170	9066	3635	7284	9654	1351	2400	7874	2715	2763	4047	20925	11780	7624	8231	4558	5866	6064	17812	9020	0	5453	7797	5661	6290	0	6026	3458	10140	5764	10738	4989	6690	12024	5651	5415	4443	2908	2914	0	7267	9927	7146	9092	6933	18144	6504	8817	1384	5442	9024	0	5311	2115	Lipid	0.21428572	1.5357143	0.035714287
12	C32 H43 O3 N1	490.33157	490.33224	0.14470674	490.33163	0	0	0	0	0	0	0	0	0	0	0	15499	0	0	0	13673	0	0	0	0	0	0	0	0	0	0	3154	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24621	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3385	0	0	0	0	0	1229	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2443	0	0	0	0	0	0	0	Lipid	0.09375	1.34375	0.03125
26	C21 H14 O14	491.04562	491.0463	0.10439413	491.0457	2749	2726	3769	3293	13493	5942	0	0	10329	0	0	0	21480	3538	0	0	0	15320	11582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2648	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4101	3212	6848	0	14969	11166	2924	0	0	0	0	0	26471	10925	2237	11614	0	0	0	0	0	0	0	0	0	0	0	0	5715	0	4850	0	0	0	23910	0	2371	0	0	0	0	0	0	3995	0	0	3174	5551	4597	10661	11687	0	0	0	0	0	8032	0	0	26116	Phytochemical	0.6666667	0.6666667	0.0
22	C21 H14 O14	491.04562	491.0465	0.3165596	491.04578	2840	0	0	0	9030	2844	0	0	9277	0	0	0	17701	0	0	0	0	14871	4681	0	0	0	1435	0	0	0	0	0	0	0	0	0	0	0	2416	0	0	0	0	0	0	0	0	0	0	0	5771	0	0	0	0	2109	6072	0	11202	12082	2208	0	0	0	0	1237	23346	10200	2674	7431	2035	0	0	0	0	0	0	0	0	0	0	0	2310	0	4231	1733	0	0	13127	2264	1731	2013	1667	0	0	0	0	6210	0	0	0	0	9437	13457	13943	0	0	0	1835	0	9081	0	0	23145	Phytochemical	0.6666667	0.6666667	0.0
20	C21 H14 O14	491.04562	491.04642	0.3032677	491.04578	2276	2594	0	2532	8734	2687	0	0	11645	0	0	0	20563	3530	0	0	0	6671	5155	0	0	2688	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2099	1111	0	0	0	0	4346	1438	0	0	3069	2414	1753	0	6994	7911	3929	0	0	0	0	0	16528	5973	3125	7604	0	0	0	0	0	0	0	0	0	0	0	0	0	3259	2482	2370	0	0	9839	3113	1883	2697	2004	0	0	0	0	5326	4259	0	0	0	6930	18525	14442	0	0	0	1881	1674	6553	0	0	13526	Phytochemical	0.6666667	0.6666667	0.0
16	C22 H18 O13	491.08203	491.08276	0.1491513	491.0821	30340	21944	24578	35702	58457	27752	3342	2979	74525	35583	34363	6121	113184	20168	12460	9405	4537	71671	63124	27355	47152	73962	20926	2869	2410	1904	6096	7003	3200	0	2252	0	10152	1681	73229	2227	8372	9415	5413	14414	21523	12090	820	0	0	40046	81795	484	3363	2546	25883	26675	39917	0	72721	67715	24315	6323	7097	7889	0	20561	135513	62897	23543	80566	25773	5539	9709	6405	13913	2320	1197	1416	3391	0	0	6299	37290	44156	24258	50203	3429	2738	86604	27943	18823	19404	19050	0	4213	9570	0	98274	65557	0	32003	31927	63151	88017	75895	9172	8239	5820	55097	0	55962	0	8227	123974	Phytochemical	0.59090906	0.8181818	0.0
14	C22 H18 O13	491.08203	491.08282	0.14690961	491.0821	32193	18519	21312	26878	47609	18091	4849	2903	51097	34006	33113	8381	82153	12957	8664	3617	2422	46602	50930	15280	39511	69337	15215	0	1709	0	2818	0	0	1908	1383	0	6906	0	64546	0	7744	9004	3881	9960	32241	12688	0	0	0	23897	88943	0	3346	0	27081	25120	27713	0	44629	46878	20946	4119	6141	6402	0	16441	110501	48152	16868	58072	20492	5215	0	5053	14480	3067	1078	0	2954	0	0	4982	27841	60012	16174	38454	1185	4115	63196	22190	15186	17933	16656	10054	0	6411	6078	93156	48577	0	22819	22598	48847	73631	70270	2568	7084	4092	54778	4022	47476	0	6109	78814	Phytochemical	0.59090906	0.8181818	0.0
22	C22 H18 O13	491.08203	491.0828	0.23281184	491.08212	12733	10882	9784	12623	29344	13611	0	1344	27056	14420	6064	2306	55800	10987	5209	0	0	35972	20453	3426	13056	26128	9145	0	0	2272	2830	1408	1226	0	0	0	0	0	19092	0	2335	1707	0	6396	5926	3108	0	0	335	22489	31712	0	0	0	14956	10722	15787	0	34972	32425	11562	1843	2626	2394	2313	7818	56975	30952	7357	29325	9627	2320	4279	2842	4533	0	0	0	0	0	445	1293	15529	15659	13247	22105	0	0	37673	16246	7602	4325	6154	0	2829	5111	2195	28236	26223	0	12818	11317	23274	38717	29963	0	2085	2164	25317	0	23018	0	1790	64860	Phytochemical	0.59090906	0.8181818	0.0
18	C22 H18 O13	491.08203	491.08273	0.10614846	491.08206	53018	46238	51692	50704	154900	71092	7372	9564	139078	73118	47832	11882	246250	45370	31142	7156	7024	148396	128724	49302	74070	141960	33576	12784	6102	1739	5714	0	8884	0	3624	0	18242	0	105658	0	15970	21778	5350	32572	33462	25240	2190	0	0	70798	138514	1882	5884	3496	47046	48516	58638	0	156272	134078	44512	8368	15724	11266	10974	33284	276510	120050	39308	161676	43174	5494	20653	9248	21290	6026	0	2666	5596	0	716	11184	49558	94514	54334	90598	8656	12868	148026	65814	42652	35700	40724	11894	11228	25214	18700	140932	119196	0	55096	52698	121694	145380	132256	14188	13262	13374	88468	15398	109348	0	12224	219736	Phytochemical	0.59090906	0.8181818	0.0
20	C22 H18 O13	491.08203	491.08267	0.16556883	491.0821	20951	17677	20058	15873	45388	24967	6135	1551	54107	25352	13160	3571	99770	18694	3729	2682	0	49717	42619	15496	18339	45149	12987	5315	3052	2319	2378	3476	0	1937	2436	0	5997	0	30623	0	5912	4440	2390	8462	15852	6802	1276	0	0	20651	46957	1092	1532	0	20969	23473	22310	0	57193	45272	18209	2164	8111	3290	3808	13814	94407	52559	15904	49562	13691	0	2906	5927	5180	1567	0	0	0	1389	628	2811	21921	23947	15764	30617	2656	0	51784	25679	16875	10459	13076	3018	3287	8749	5891	53898	40599	0	22311	16555	37364	58238	52102	4438	2989	2375	35421	3387	41658	0	3733	98456	Phytochemical	0.59090906	0.8181818	0.0
24	C22 H18 O13	491.08203	491.0828	0.27083266	491.08215	5991	8565	5322	8030	14347	10456	1834	0	19586	9406	3184	1833	44484	7299	3058	1419	0	24225	18288	7044	6115	14592	6051	1908	0	1949	0	0	0	0	1069	0	2454	0	9469	0	1998	2538	0	3001	4484	1765	0	0	0	8039	12253	0	0	0	5683	6066	10558	0	24245	17273	5038	1460	1060	0	0	5448	40221	19085	3292	24289	3871	0	3077	1401	4984	0	1108	0	0	0	0	0	10539	7962	8799	12882	1165	0	25562	8788	4610	2191	3047	0	1781	0	2627	15826	19384	0	7657	4117	14568	18951	12069	0	1778	0	10225	1443	15660	0	2340	43380	Phytochemical	0.59090906	0.8181818	0.0
26	C22 H18 O13	491.08203	491.0828	0.14058748	491.0821	4539	4940	4345	5048	13698	7062	0	0	18371	8746	0	0	37104	5598	0	0	0	20065	12431	5420	0	11641	0	0	0	0	0	0	0	0	0	0	0	0	9636	0	0	0	0	2861	3060	0	0	0	0	0	8274	0	0	0	5850	5622	6646	0	21671	16670	4025	0	0	0	0	2901	34068	18311	0	16282	4743	0	0	1565	3386	0	0	0	0	0	0	0	6655	6769	7693	6701	0	0	22748	9740	2624	0	3588	0	0	1993	0	13127	14587	0	6485	6079	10703	13875	11556	0	0	0	8046	0	9094	0	0	30785	Phytochemical	0.59090906	0.8181818	0.0
28	C22 H18 O13	491.08203	491.0828	0.2007997	491.08212	6501	5273	5054	5972	14275	9193	0	0	12785	9057	1943	1432	29084	6168	3127	0	0	16261	15505	3751	6427	7262	5220	0	0	0	0	0	0	0	934	0	963	0	10334	0	1571	1695	0	2189	4356	0	0	0	0	6424	11452	0	0	0	6902	4764	6622	0	16831	11867	3175	0	1642	0	0	3061	28741	11940	3956	16019	3510	1687	2908	3597	4179	0	0	0	0	0	0	0	5881	3498	5136	4450	1338	0	18284	6431	4791	3053	2797	0	0	2034	1716	8615	14048	0	6363	4722	8658	10154	13796	2341	1236	0	6580	2478	10674	0	1412	23198	Phytochemical	0.59090906	0.8181818	0.0
10	C22 H18 O13	491.08203	491.08295	0.21835093	491.08212	7354	3211	3400	4884	10941	2253	0	0	12913	7253	6873	1158	18330	1859	1401	0	1071	9171	10103	1871	4646	8287	2432	0	0	0	1126	0	0	0	0	0	2573	0	10998	0	1843	1156	0	1431	6419	2174	0	0	0	4519	13026	0	0	0	5481	2704	5487	0	12401	13776	4003	0	0	0	0	2461	23934	12544	4474	11146	3095	0	0	0	3276	0	0	0	0	0	0	806	5232	7632	3621	8041	0	0	18544	4066	4525	2467	2648	0	0	0	0	13079	6288	0	5040	4154	18220	22647	17536	0	0	0	0	0	14457	0	833	22529	Phytochemical	0.59090906	0.8181818	0.0
14	C21 H18 O12 N2	491.09326	491.09412	0.21136868	491.09335	3449	4988	5105	3072	5822	2508	0	0	9257	8449	5773	1500	16658	2115	0	0	0	8516	9471	3628	13714	22090	1444	0	0	0	0	0	0	0	0	0	0	0	8480	0	0	0	0	7928	21980	1365	0	0	0	11100	36675	0	0	0	4192	3314	4029	0	10622	9047	3620	0	0	0	0	10290	26442	11454	2205	10917	2489	0	0	0	2275	0	0	0	0	0	0	2141	1970	0	0	15643	0	2972	10908	0	3418	2606	1752	3940	0	3496	3464	21509	13415	0	2479	0	5993	7926	7835	0	0	0	21569	0	6732	0	1205	22468	Phytochemical	0.5714286	0.85714287	0.0952381
18	C21 H18 O12 N2	491.09326	491.094	0.17594224	491.09332	3430	4443	3513	4567	7183	4006	1243	0	6125	0	2551	1298	14523	2023	0	0	0	8042	6834	3557	5311	15319	2654	1751	0	1411	1669	0	0	0	0	0	1716	0	5077	0	1924	1080	0	2083	9045	1482	433	0	0	13249	31199	0	1734	0	3458	3638	2122	0	9824	5006	2906	0	0	1856	0	5266	19393	10835	1361	12138	4561	0	0	0	1637	1450	0	0	0	0	0	1547	2939	11829	0	13884	0	0	5876	0	2387	2434	2770	1965	0	2826	4414	18983	14281	0	5584	1770	6020	8776	9114	1843	0	0	14452	1659	6047	0	0	11271	Phytochemical	0.5714286	0.85714287	0.0952381
20	C21 H18 O12 N2	491.09326	491.09387	0.005417706	491.09326	0	0	2547	2812	3482	1799	0	0	6093	2264	1507	2092	6777	0	0	0	2676	3789	1741	0	2253	12469	1194	4584	0	0	0	0	0	0	0	0	1610	0	4026	0	0	1126	0	2950	5102	1265	0	0	0	5181	24071	0	0	0	2808	1774	2808	0	5842	3994	2181	0	0	905	0	2482	5063	4757	1747	4381	0	0	0	0	0	0	0	0	0	0	0	1474	0	8686	0	12141	1165	0	6121	1879	1859	1045	2323	1466	0	0	0	10103	5709	0	0	3291	3067	2779	5379	2141	0	0	14556	1834	3417	0	1359	11509	Phytochemical	0.5714286	0.85714287	0.0952381
12	C21 H18 O12 N2	491.09326	491.0942	0.28579888	491.09338	1964	4529	2929	4213	4563	1480	0	0	8974	1774	3353	1155	12917	1155	0	0	0	6305	8513	1976	9930	18939	1804	0	0	0	1717	0	0	0	0	0	0	0	9843	0	0	1163	0	3847	10076	1298	0	0	0	7203	24252	0	0	0	2621	3047	2470	0	6940	6527	1228	0	0	0	0	6009	25588	8462	890	8173	2708	0	0	0	3342	0	0	0	0	0	0	1088	1858	0	1397	11153	0	1402	10955	2476	1820	1537	1059	0	0	0	0	18680	6759	0	1997	0	4804	9845	8476	0	0	0	0	0	7691	0	0	14618	Phytochemical	0.5714286	0.85714287	0.0952381
8	C23 H22 O12	491.1184	491.1193	0.11559881	491.11847	7757	7815	7339	4231	7514	4579	1816	2658	9681	15723	15065	3841	7908	3508	2521	4913	4178	6829	7036	8371	16246	11422	4179	4917	0	3883	2441	2824	1792	1422	1193	1953	3491	2541	26015	2600	1940	3046	5306	5826	10654	1797	0	0	0	7052	18889	0	1849	2821	4733	8024	5448	0	4794	8218	3657	3667	1871	6280	0	4435	9362	8432	3369	6366	2195	6264	6769	5128	12017	2484	2142	1726	3244	2782	0	2094	5310	0	5554	6321	1049	1888	9204	0	4267	3286	3259	4098	0	0	2753	9325	8628	0	7897	7163	8797	10525	11140	2912	2405	1951	7174	2832	7325	0	1668	9958	Phytochemical	0.5217391	0.95652175	0.0
26	C23 H22 O12	491.1184	491.11917	0.20367871	491.1185	9416	7770	7927	6856	11783	8164	0	0	14630	22462	4282	0	37423	4981	0	0	0	19426	16001	14664	14926	17030	5933	0	0	0	0	3351	0	0	0	0	0	0	25639	0	0	0	0	6728	7102	0	0	0	0	17114	22925	0	0	0	9744	6455	7176	0	24309	12783	5466	3212	0	0	0	5054	28288	15379	3427	12403	3655	0	0	10735	7114	0	0	0	0	0	0	0	8550	6855	6250	11184	0	5216	12284	6677	8075	3061	0	0	1404	3227	0	11843	22009	0	5765	8132	7780	15036	10884	0	0	0	11722	1602	9506	0	0	25822	Phytochemical	0.5217391	0.95652175	0.0
28	C23 H22 O12	491.1184	491.11908	0.19684607	491.1185	6937	4820	5368	4721	8306	6872	1283	0	7798	16229	4220	875	21046	4356	2687	0	0	14523	8188	11522	11200	6711	3939	2740	0	4391	0	2583	0	0	0	0	1681	0	19242	0	2403	2849	0	6177	4955	0	0	0	0	10462	14068	0	1533	0	3907	5037	7049	0	12981	8903	2038	2663	2506	1286	1961	4380	16521	6711	2775	12670	2838	0	5250	12483	10162	0	0	0	0	0	0	1600	5116	5246	4622	6661	1404	4191	8913	6118	6365	1630	3194	1269	0	4181	2388	5570	10749	0	4830	6017	7426	5802	7959	0	1724	0	8459	1777	5829	0	2008	15510	Phytochemical	0.5217391	0.95652175	0.0
22	C23 H22 O12	491.1184	491.11908	0.11646477	491.11847	55122	46232	44368	50450	104642	55972	7654	9418	114452	149462	46918	13626	158572	43734	32668	15700	0	123032	88614	87554	115421	138798	33018	15170	28991	27670	9168	17432	10042	6590	8732	13194	19374	5322	180067	8666	23036	22754	5716	74678	52184	17446	0	0	742	142012	163141	0	14258	14418	56294	50000	53816	668	116580	77418	40902	11700	19508	12070	21886	44538	157366	91930	34010	116805	27016	10588	48209	88764	55828	14333	5414	5860	6796	6172	1124	13326	61032	75317	47856	129845	9974	49704	109256	63828	39052	22310	21654	7294	14858	47850	20085	112569	145832	0	51334	52650	75014	85682	76724	10436	15916	10404	107642	9708	89584	0	15368	173472	Phytochemical	0.5217391	0.95652175	0.0
10	C23 H22 O12	491.1184	491.11926	0.16762295	491.1185	25229	21244	20438	16789	20097	8732	5789	9082	30348	56671	38985	10461	33276	9990	7236	13500	9301	22617	23512	33698	40525	34298	13780	13468	2978	12251	9771	14633	6738	8012	7898	8523	13969	6409	63629	6001	9994	10006	13961	21324	38174	9247	0	0	0	33156	55981	0	8767	9396	19446	21692	13304	0	23086	22507	9462	12480	6380	13493	11607	14520	36904	22775	10712	26538	12087	14921	24059	24226	35101	5791	7361	4492	7994	9477	0	6211	20911	25524	17369	31109	7282	9452	30775	12967	19022	10297	12022	12151	0	7020	12615	46593	42620	0	22434	23686	28752	26319	25782	8197	7423	8865	22663	8413	26250	0	7533	34727	Phytochemical	0.5217391	0.95652175	0.0
16	C22 H22 O11 N2	491.12964	491.1304	0.12328608	491.1297	26768	31176	34458	39678	27803	24756	13796	10515	36078	77488	30544	13668	70163	11659	18656	17992	15413	45957	36785	49801	66089	86366	22229	21416	11837	14216	7976	15495	12128	8089	12185	11458	22271	10318	87261	12068	20107	14303	13002	65888	49969	11257	495	0	0	82615	88871	0	17285	11076	35666	29827	24062	0	42140	34091	14841	18140	19194	12567	18064	47572	64510	35581	12839	38139	18027	13637	16077	27970	21848	15656	9150	10996	12206	12998	0	17580	22715	43694	17476	72227	10523	27779	35939	19482	28639	15742	13071	0	16688	30904	51007	66489	75954	0	33650	25832	22191	30457	29469	19023	13449	18602	70438	33050	24253	0	17377	60630	Phytochemical	0.5	1.0	0.09090909
12	C22 H22 O11 N2	491.12964	491.13043	0.11909925	491.1297	41138	37512	34704	33108	33069	16430	15041	19989	36424	71373	48740	13223	44463	13325	15824	21277	21251	38230	42480	57867	81989	96122	21621	18049	9582	13099	10197	17391	12934	16042	15921	17061	29687	14403	109065	9666	22001	17628	25647	78959	119480	15742	850	0	0	90808	142947	0	18790	13238	35086	38664	20659	0	41432	28989	13791	21806	14292	22606	19473	59312	71355	43166	11624	34540	18619	22357	33318	25196	44113	14830	15019	14728	8405	12811	0	14278	24517	50561	16994	71260	13470	23307	36169	14986	27873	17495	21148	45284	12658	28045	32702	80001	48976	0	27917	32399	28543	34254	29372	17598	15535	21963	121982	20837	23786	0	13066	60718	Phytochemical	0.5	1.0	0.09090909
20	C22 H22 O11 N2	491.12964	491.13037	0.14807153	491.1297	41609	44488	35527	33114	41711	26851	2588	14426	66404	156542	112837	8885	46269	22683	20722	14939	12340	45457	43910	107955	116031	92174	14217	24815	21096	180082	11862	107339	11480	2862	7877	13107	10467	8242	197716	4950	8608	12380	16035	89744	90950	15833	0	0	0	89343	118878	0	5876	11069	46820	45731	30735	0	45128	39465	19115	22348	24188	17624	17694	66997	58908	39464	24252	54951	39748	13583	158202	208588	240094	8096	6362	8383	5290	2944	0	4618	30742	71116	26192	80605	20205	48870	53180	27891	36121	19002	22305	27940	32280	53514	34591	113227	99126	0	43683	43018	40783	49181	47118	19717	5250	18649	95970	9790	43284	0	15777	64260	Phytochemical	0.5	1.0	0.09090909
28	C24 H26 O11	491.1548	491.15543	0.15378276	491.15488	6726	6735	5685	6218	11479	7078	2382	3387	10180	25399	6036	1698	22435	4976	4988	4713	0	12618	13258	21535	18019	8135	6341	4265	0	10622	1484	3896	2360	0	1728	2429	3203	2879	23698	0	3223	3504	1469	9567	6228	0	0	0	0	10522	11949	0	2250	3413	6924	8279	7644	0	12188	9794	2868	4018	2232	1353	5523	7357	16456	7623	3608	11674	3666	1270	8392	25606	15430	2628	1488	0	0	1147	0	2007	6430	4826	5513	8497	2309	7421	11334	4436	4013	3828	2979	2196	5581	6387	4093	5683	11870	0	8574	8276	5999	9449	8511	3257	1521	3542	7416	3197	8577	0	3060	16754	Phytochemical	0.45833334	1.0833334	0.0
26	C24 H26 O11	491.1548	491.15543	0.12285265	491.15485	12977	13277	10372	14136	18602	12479	0	5684	21978	42066	8779	0	42563	9964	9279	0	0	26422	26986	27128	34921	22441	12217	8844	6406	14870	1941	9515	0	0	4486	0	5384	4207	40656	0	6089	5380	2778	18946	11250	0	0	0	0	24973	29193	0	2974	0	14386	14008	14206	0	29770	17543	8507	5080	6026	3225	5494	12000	34969	17530	3720	22026	9817	3423	14370	37368	25923	6292	4124	0	0	4625	0	3313	13644	6632	12036	16516	4177	8745	22879	8947	10923	2523	7165	4282	7759	10014	7782	14181	33074	0	15734	13785	13083	20042	16065	0	5190	5839	17676	4175	12969	0	4405	26175	Phytochemical	0.45833334	1.0833334	0.0
20	C24 H26 O11	491.1548	491.15546	0.06521966	491.15482	177945	171368	174345	146654	186803	146228	64416	116579	205123	492094	173387	64700	302879	112376	102008	85166	45231	228033	220870	370365	335865	237552	105091	107759	94662	201322	61013	134926	101723	78157	86777	88524	114402	80409	575597	85946	123853	84152	54709	241765	151529	72391	5110	0	561	332396	267786	734	104518	79061	168593	179669	120688	748	234037	144481	85875	100011	106888	48905	90536	159800	277032	180352	77307	197409	105775	52689	168705	359745	250049	103116	91249	79772	52988	88240	632	81341	148178	115306	111647	221224	71466	200510	170969	106653	106398	72977	86763	63736	122820	151650	130274	161492	212704	1030	164948	169354	171188	141976	146115	95232	67660	105691	224704	103123	137397	929	84416	303652	Phytochemical	0.45833334	1.0833334	0.0
24	C24 H26 O11	491.1548	491.15543	0.0886976	491.15485	29968	38295	37225	25881	38634	27309	6417	12174	47363	83118	27968	8934	78416	20134	17437	16752	7763	48587	44040	60171	61881	40181	24482	16216	13161	37169	4535	19623	8912	9892	11099	10306	15184	10822	94008	11520	17183	13420	8707	37021	29324	8089	0	0	0	60117	57921	0	13606	11553	29758	32951	26124	0	52200	39927	16246	13522	12939	7058	16626	32918	59851	42145	14551	45620	19420	5804	39199	78214	62773	13215	7192	7779	5509	11983	0	9643	29390	18901	24200	45252	8304	25482	49663	26600	18874	11168	14760	11762	17258	21032	20479	27414	41286	0	28777	27660	36110	41618	31701	10593	11081	18096	46864	9727	37117	0	10855	77643	Phytochemical	0.45833334	1.0833334	0.0
16	C24 H26 O11	491.1548	491.15552	0.092894726	491.15485	233281	259651	224596	236367	199054	146879	112392	185123	238235	1362266	290960	112578	257599	109179	165932	167637	99268	269140	270848	1021196	940776	701458	170609	171565	118931	292276	104404	226352	158024	154032	172842	178500	186942	140517	1690426	150794	190831	142915	114585	723728	526142	101701	4620	0	0	851470	399866	775	166100	158061	240861	246959	164579	703	254597	161349	109675	186449	180977	113835	194301	482178	297171	203186	98392	216296	147986	108067	280400	468776	405978	196508	184876	169156	114378	160990	421	145795	195039	209915	160313	755588	136185	261968	207664	121364	156524	100721	120860	182048	184819	190259	187984	492704	710454	1568	250191	249259	212291	163732	173278	174490	115221	172438	284646	165043	171579	0	137751	288568	Phytochemical	0.45833334	1.0833334	0.0
14	C23 H26 O10 N2	491.16602	491.16675	0.014625041	491.16602	92477	105029	75018	91927	57306	50226	60111	94730	68976	188147	81090	48770	90658	32378	70854	95385	62191	75278	91295	162121	157668	171602	64134	105332	77661	48344	55367	60741	74815	74975	76115	87276	103422	64413	252345	73710	89875	61311	62978	157635	122507	48166	0	0	0	154846	138484	0	77817	72284	82427	85519	49276	0	94662	50008	35312	93532	113794	59428	87696	123721	91609	66776	30457	73624	59785	68020	47122	103095	79640	70582	65119	72171	55033	62549	0	54352	80976	90086	53742	97828	62861	79417	50111	37600	65702	49649	52989	83776	93499	103979	130771	100991	148193	0	90597	96739	41693	55026	52470	94616	52700	111344	131501	87545	43551	0	62133	84574	Phytochemical	0.4347826	1.1304348	0.08695652
6	C23 H26 O10 N2	491.16602	491.1669	0.039222408	491.16605	13468	13778	10986	13063	8308	6481	6256	11224	11794	29290	16869	6089	15958	2540	6326	15009	6360	7740	13614	23499	28068	20846	8260	18635	5013	4670	4940	8002	6243	7585	8878	6545	11860	5341	34665	7807	10518	7762	13866	17634	22606	6329	0	0	0	18359	29253	0	10802	7538	13571	13609	7433	0	16414	10029	4922	12398	6088	13032	13526	12559	19271	13924	3041	13185	8481	10773	7650	10059	14769	8175	7889	6876	6052	7763	0	4595	10493	13476	7635	11283	5118	8913	8357	5898	10794	6889	7268	16005	9319	9666	19330	16941	20461	0	15222	11933	8492	10721	13251	11111	6834	12010	12264	10440	7478	0	8149	16107	Phytochemical	0.4347826	1.1304348	0.08695652
16	C23 H26 O10 N2	491.16602	491.16672	0.001180846	491.16602	71291	81663	69972	79924	57982	55255	46591	65315	63741	162886	63133	37368	96999	29655	68325	75412	42481	77277	78880	139133	123956	134851	57633	79255	71825	32150	37487	52653	62992	52317	67380	78140	81595	56169	205446	59477	86438	54369	44137	133818	81859	45472	1221	0	0	124119	90773	0	74349	57271	85392	79001	47804	0	82546	44857	37187	73687	67651	39030	75566	80583	78597	56890	32476	67294	50367	44867	37702	85206	53447	62024	57148	55193	32450	55743	0	42366	58884	79099	49839	79764	58600	82640	47759	37026	67591	40444	48985	75625	86519	100924	148266	81143	123076	0	81449	82737	38898	41202	46299	70614	41992	80945	79653	72430	37669	0	57313	91624	Phytochemical	0.4347826	1.1304348	0.08695652
20	C23 H26 O10 N2	491.16602	491.16666	0.04932242	491.16605	24483	17916	20779	15577	15034	15449	13687	14620	23676	46414	19498	7822	26299	9742	16723	12690	7589	23301	19776	32624	31816	28655	18156	15563	22761	6867	9676	10423	12806	10333	12308	9131	18076	8988	54409	8598	24161	12560	9693	35279	12150	10433	548	0	0	29994	20987	0	12662	10625	16923	20245	17028	0	28459	9819	10711	16204	13906	4991	15172	23114	26544	17494	10424	21603	12959	8882	7929	15839	9910	13467	10152	9646	8860	7999	0	9565	17889	14064	13335	21392	13594	21021	10189	9336	11506	10803	11679	13154	20565	32700	46998	21347	27848	0	21817	18619	8656	12896	8208	12577	10627	16636	18992	16415	10115	0	19138	28962	Phytochemical	0.4347826	1.1304348	0.08695652
26	C28 H26 O8	491.17004	491.17062	-0.006927721	491.17004	7229	4594	6443	4365	6137	0	0	0	9110	11332	16138	0	8612	3500	0	0	0	0	6747	10852	13672	4854	0	0	0	42385	0	13339	0	0	0	0	1861	0	15725	0	0	0	0	6660	13924	0	0	0	0	5747	8550	0	0	0	2950	5857	3442	0	6429	7228	3982	0	0	0	0	3977	6110	4201	0	7487	3478	0	54740	35608	52867	0	0	0	0	0	0	0	4816	8080	3897	5471	0	12650	9916	0	4838	0	0	3006	0	2058	4439	8004	0	0	5340	0	5957	11462	5733	0	0	0	0	0	0	0	0	4640	Phytochemical	0.2857143	0.9285714	0.0
24	C28 H26 O8	491.17004	491.17065	0.048548825	491.17007	15215	14986	10620	11198	14973	4435	3792	3960	14693	31798	41901	2869	18006	9875	2572	5042	0	12590	14786	26283	31899	14503	7835	3930	5521	97836	3174	33248	2647	1797	2388	2022	2234	2390	47470	2013	2208	4320	3687	21200	25442	2590	0	0	0	19529	24515	0	3661	2299	11658	11795	13918	0	10456	15761	5470	3660	5044	4517	3374	22041	19458	13462	6559	15257	10563	3014	85701	70759	105506	0	1034	0	2249	2510	0	3384	8410	13335	7915	15327	5060	21894	22733	9250	9117	7764	5033	7256	7430	2421	6362	16787	20182	0	15174	15673	16025	16082	16658	2573	2328	6746	12130	4747	13772	0	4038	12606	Phytochemical	0.2857143	0.9285714	0.0
28	C28 H26 O8	491.17004	491.17056	-0.017191872	491.17004	2380	1446	1511	1438	2090	0	885	0	2694	4180	5037	0	2602	1371	0	0	0	0	0	0	4283	1367	0	0	0	14457	0	3767	0	0	0	0	0	0	3538	0	1394	0	1189	0	4942	0	0	0	0	0	3916	0	0	0	2157	1973	1852	0	2961	2704	0	0	0	0	0	2201	2702	2362	0	1723	0	0	15278	11646	26051	0	0	0	0	0	0	0	1991	2563	1284	1569	0	2105	4992	0	1291	0	950	861	936	0	0	2860	2891	0	1878	2660	1926	4470	2692	0	0	0	0	0	2000	0	0	1818	Phytochemical	0.2857143	0.9285714	0.0
22	C28 H26 O8	491.17004	491.17065	0.015012713	491.17004	21227	16647	17014	18631	15347	10233	4250	3900	17935	39319	54777	3611	12811	11686	4674	9115	4989	9103	19925	49010	44414	12969	7003	8482	3757	117587	5029	51883	2504	4317	4565	4566	5437	6079	61924	2119	4690	4913	3748	30008	40944	6515	0	0	0	19461	19269	0	5805	2344	16275	19590	14775	0	14896	17276	10605	6567	7206	6966	6503	24135	19808	16836	8120	14778	12914	5082	107703	111252	152670	5502	2172	1579	2273	3588	0	1742	12724	18545	9536	13314	6450	27456	26803	13680	14519	8448	8374	5870	10524	11023	12582	29917	26674	0	15393	17650	18535	20517	14848	7547	5696	6151	14549	3747	13997	0	6838	19149	Phytochemical	0.2857143	0.9285714	0.0
12	C22 H26 O9 N4	491.17725	491.17786	-0.21745257	491.17715	9841	13719	5544	8897	5171	8892	10686	12537	5468	23457	4761	3720	9729	3890	13776	12274	8432	9156	11876	41532	17883	23779	12362	18301	9225	7549	3890	0	7742	10977	9702	11678	15495	8581	32582	11581	14901	12163	8211	40527	16873	7012	0	0	0	32416	13198	0	9311	10981	14372	6768	7054	0	5655	6026	5088	11534	6478	0	0	12063	12184	7915	5275	9664	7873	8283	0	18120	33254	5791	0	11683	9528	8534	0	8801	10642	0	13574	16204	7889	23138	8210	3421	9978	4928	8098	19565	12490	14632	21933	8873	12618	0	14424	14420	0	3220	5237	7316	8176	0	0	15328	5093	0	11857	9787	Peptide	0.4090909	1.1818181	0.18181819
10	C25 H30 O10	491.19116	491.19196	0.0993068	491.19122	15315	17748	14397	15817	6849	5840	11867	22268	10663	43976	15873	11862	5048	3743	12303	20970	12189	5001	5724	47898	40792	24736	10689	22866	10054	19823	17209	8465	16216	19383	16893	16900	13384	11411	47442	18914	12786	10357	15905	33660	33492	6141	0	0	0	14198	20846	0	17922	19099	17484	17050	4953	0	9354	7417	5801	17912	14692	18967	19077	12887	5987	10121	3751	5706	8515	21744	21884	19869	26143	13776	14164	17573	17129	16885	0	11498	20060	8647	19662	14999	18175	14312	9290	6182	15554	5374	7582	21012	10232	8483	17843	8481	12486	0	16335	13050	10031	8174	9065	18337	9491	17671	0	12656	5524	0	14183	5732	Phytochemical	0.4	1.2	0.0
22	C25 H30 O10	491.19116	491.19183	0.060985427	491.1912	266889	248629	218702	244523	223488	204415	100443	212007	283428	661867	239373	110684	315403	152107	176385	166088	95711	333869	277222	536937	485669	284413	196334	209332	170848	350253	86976	221448	192320	153266	175040	189090	192922	150981	718650	168433	244022	163376	95456	312091	186501	119788	5562	0	808	334168	233086	0	166647	164285	243998	239128	173126	1511	323336	202517	112717	189549	187189	84973	189197	222539	339195	237185	102889	242483	138408	104087	279279	642644	441610	183947	157550	165583	94668	161414	983	153890	230408	101162	188407	193178	130580	195983	224122	144489	197447	104028	134445	116559	209955	245610	236078	148773	238941	0	234551	231331	196673	199312	180815	166970	133578	186476	191638	190130	180720	0	143690	398467	Phytochemical	0.4	1.2	0.0
28	C25 H30 O10	491.19116	491.19183	0.055848796	491.1912	12664	11042	12448	11000	12244	11030	4425	9901	15432	31743	12228	4363	29289	7161	8011	10557	4699	18040	16550	31693	28783	14543	12304	14279	6163	25146	4693	12098	7080	3441	6740	7770	7798	6811	34252	8678	11776	6887	6555	15865	12319	5221	0	0	0	14035	9513	0	9776	8228	12978	10919	11883	0	16104	13382	5128	9886	6823	3976	8403	8816	21358	13996	4434	18471	8455	4495	20232	41644	33016	9015	5035	5151	4338	6149	0	5557	14178	8226	9959	6391	4722	10343	14855	5860	12817	5759	5456	5077	11679	10213	10953	8974	14358	0	11326	13251	9121	12961	13712	9046	5072	9844	10446	9709	7717	0	4389	21171	Phytochemical	0.4	1.2	0.0
26	C25 H30 O10	491.19116	491.19186	0.06498232	491.1912	30496	28378	26637	28099	39202	26321	7712	27268	42371	74584	28478	16449	62547	19365	22963	23187	10852	49136	39693	67119	80732	32966	27291	33045	13346	43682	8689	23178	18551	11916	22891	15634	20256	15471	79675	20345	25937	18971	13711	39202	30385	13882	0	0	0	42375	34207	0	21195	18842	35417	28799	24886	0	44420	37986	14858	26239	19871	11629	22088	19716	54499	33727	9749	36373	21035	13497	46507	90542	73129	22273	16254	14655	17090	18006	0	18684	32091	16721	29394	23971	14666	23113	38560	18803	27882	17436	16307	10529	19963	29071	31191	22213	32810	0	32111	29527	23894	34066	36091	18313	14448	16072	19297	20671	23745	0	18412	51589	Phytochemical	0.4	1.2	0.0
24	C25 H30 O10	491.19116	491.19177	0.029483963	491.1912	85290	86400	80861	85021	93867	67717	30175	68641	102732	209732	72507	39298	181398	57374	62898	62148	33811	130506	110116	177518	162860	88611	73865	77674	47015	116623	30909	69278	52358	46572	56802	53800	67145	52652	245067	54253	80275	46221	34458	106767	73747	35010	2530	0	0	111188	75298	0	58079	51158	81415	82435	67635	0	116085	84420	42782	71094	58751	28149	67365	69384	144838	97219	34785	113409	46867	32361	102432	215131	168428	62988	51357	59154	33068	46745	0	46438	85265	39522	68240	65988	37968	68436	104681	61581	68868	36608	52377	39607	68867	72644	80502	52660	98973	0	93439	76581	75499	77977	79742	46750	36022	65490	69498	51054	67926	0	49551	153238	Phytochemical	0.4	1.2	0.0
6	C19 H30 O11 N4	491.1984	491.19916	0.23350869	491.1985	2627	1494	1754	1999	0	697	579	0	0	0	2718	1068	0	0	0	1085	0	0	0	0	0	1390	0	1080	924	0	0	9233	0	0	1172	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	729	1394	1405	0	0	779	0	459	0	0	0	0	0	0	0	0	0	0	0	0	0	0	864	736	0	0	0	0	752	0	12663	0	0	0	0	0	0	866	0	898	1448	172181	41167	1258	7708	3467	0	1426	1820	0	0	0	0	0	0	0	1093	0	0	0	0	Peptide	0.57894737	1.5789474	0.21052632
2	C19 H30 O11 N4	491.1984	491.19937	0.2786012	491.19852	1240	1060	1261	1093	616	0	0	1541	774	0	1444	992	777	0	688	0	1211	736	1550	0	0	919	694	1363	0	0	0	3718	1463	794	1855	1260	2603	2369	794	1595	1238	399	1141	0	0	0	0	0	0	351	0	0	1533	1009	1358	1229	862	0	0	0	0	1150	0	0	0	0	823	717	0	1280	795	1614	0	0	0	2134	2085	1158	0	606	0	1098	870	3878	815	0	0	0	296	335	1049	1093	1193	1876	21664	8801	2604	2226	0	0	881	1433	0	376	688	1388	896	371	0	1979	0	0	877	1479	Peptide	0.57894737	1.5789474	0.21052632
12	C24 H30 O9 N2	491.2024	491.2032	0.014614428	491.20242	50593	56058	54369	50340	26275	25815	44571	64321	28605	90444	40648	30437	32866	13045	41430	58836	40739	32688	44933	87186	91740	107352	40959	67380	47310	35392	29290	39689	53892	40899	40465	47747	68130	43455	124971	46476	51980	39714	45942	92676	62136	25762	0	0	0	72309	63762	0	48002	47084	56655	51330	30063	0	35190	21745	23015	60190	51439	34439	36342	57381	31331	30797	16564	35559	28576	54020	29489	63547	41150	42488	42068	47194	27806	39475	0	37879	45498	35541	38490	42947	42950	48281	24158	23287	49381	26340	24981	80425	60099	77119	95848	53395	53533	0	53398	55445	19786	32293	32790	59162	30859	64440	34477	57692	24702	0	45788	38014	Phytochemical	0.375	1.25	0.083333336
8	C24 H30 O9 N2	491.2024	491.20325	0.03672043	491.20242	25833	25458	21003	29684	13168	12730	14424	26906	13783	50564	18171	13977	17494	5972	16217	29492	17724	15606	23259	49722	49642	47877	15736	30220	16958	11796	15005	12682	19172	21872	19507	29658	28284	19984	60773	18558	24670	14526	17513	48544	33383	10832	0	0	0	40832	27065	0	24472	17423	28654	28317	12467	0	22652	10449	10329	24788	13599	12613	19565	27590	18477	16157	7556	13759	14963	20487	13290	30438	25515	20956	19799	17473	15178	18412	0	14323	23672	17723	13147	15952	12724	22543	10818	7417	15294	11203	12294	32925	23490	36501	41733	25442	41190	0	29290	24083	10172	13921	12535	21146	10613	32678	15107	20060	6734	0	16061	20381	Phytochemical	0.375	1.25	0.083333336
6	C24 H30 O9 N2	491.2024	491.20328	0.060947683	491.20242	12412	11946	12962	13086	5033	5881	5863	12914	6397	20821	7961	6907	12408	3004	8911	14079	8431	7783	9137	18540	27318	21205	7603	16807	5686	5522	5673	7649	11736	8155	10246	11003	12851	9160	29120	11304	13503	6734	7322	15368	19039	5029	0	0	0	17670	15261	0	16921	10227	9526	13389	5587	0	12124	5462	5081	15840	6431	8451	15028	11408	7700	7204	2530	9727	5265	12482	6253	10986	10072	9046	11403	8887	5663	8709	0	6500	8795	5151	6555	8435	6947	9591	5041	3307	9651	5562	4999	17389	9066	17348	19457	12445	18384	0	12575	11650	4857	6645	7626	10512	5686	16985	7352	11687	3939	0	7391	10785	Phytochemical	0.375	1.25	0.083333336
20	C24 H30 O9 N2	491.2024	491.20306	0.06260903	491.20242	26028	20579	24243	17454	15128	14872	15216	26280	15637	45062	13611	14065	22597	11475	17850	25699	12368	24530	23714	31022	19805	36509	18515	27683	27752	7938	11830	12779	27342	16917	18383	27535	39265	18809	36800	16111	34153	16172	13417	32702	15837	14166	435	0	0	25542	13174	0	24095	16162	22461	29372	12037	0	20747	12766	12627	31674	32570	8690	25492	21962	16111	11635	9443	16240	16961	13948	8441	19704	7282	20190	16219	20015	12203	21077	0	19861	19834	14044	16516	14823	20730	15475	12133	11452	22162	19888	18712	21567	41100	48893	47563	19480	25724	0	22354	21749	9913	9948	12382	24923	14142	34875	13057	31189	10146	0	21815	25984	Phytochemical	0.375	1.25	0.083333336
24	C29 H30 O7	491.20642	491.20703	0.048500538	491.20645	23864	25193	27014	26905	24342	13950	5833	12491	26824	41212	60590	12146	28783	22009	12736	18663	13540	20443	28869	51724	48328	17159	16021	20823	11971	162478	8187	60263	9247	13424	10077	10884	17409	9747	52126	9677	14082	9617	13401	37885	52589	14967	0	0	0	26746	23837	0	10126	12259	23601	23394	21356	0	17044	20760	14779	16529	10663	14216	16309	29867	25495	21183	12737	29388	20691	13644	144604	114750	162235	11172	11446	11074	5819	8595	0	9889	29462	27741	23359	20031	12305	43578	34925	18579	27041	12804	12878	16772	15859	17322	19988	24462	24074	0	23803	23162	22271	33891	29080	14705	9416	24625	16697	14728	24553	0	15095	18951	Phytochemical	0.2413793	1.0344827	0.0
26	C29 H30 O7	491.20642	491.20703	0.04311054	491.20645	9990	11427	10556	11830	13147	5455	2565	0	11096	14825	31369	4642	16949	7862	0	0	6731	6743	18137	24473	22240	12971	6762	8324	0	78354	2517	29258	6089	0	6796	4546	6550	6606	23359	6062	7577	4712	6060	21395	27113	0	0	0	0	17957	12253	0	5261	0	9796	10228	7703	0	8666	14095	9554	7985	4037	0	6136	14812	14438	10018	3431	12841	10974	4836	92542	46838	82026	5554	0	0	0	4152	0	2823	14264	8127	8392	9516	5450	22033	21315	10698	13101	6616	5653	10568	2918	8941	8622	13336	7905	0	10804	13529	10167	26303	21250	8063	4993	8446	8882	5405	13775	0	6922	8321	Phytochemical	0.2413793	1.0344827	0.0
28	C29 H30 O7	491.20642	491.20694	-0.009861771	491.20642	2967	2704	2937	2924	5357	1157	1438	0	2605	3942	6908	0	4201	1141	0	0	0	0	2731	4504	3464	2679	0	3189	0	19123	0	7863	0	0	0	1197	1822	1404	4613	0	1818	1744	1819	3823	7351	0	0	0	0	2684	5125	0	2083	0	1945	2299	0	0	3379	3258	1432	2232	1146	0	2114	2871	1700	2117	1236	1965	3065	1648	17560	13830	26227	1576	1140	0	0	1183	0	0	4080	3000	2242	1749	2378	5520	4041	2236	1890	1997	1556	1935	1464	1316	3221	3472	2441	0	2757	0	3592	5512	5217	0	0	0	0	1254	2891	0	1456	3357	Phytochemical	0.2413793	1.0344827	0.0
22	C29 H30 O7	491.20642	491.20706	0.033705715	491.20645	21510	24280	24377	21364	21530	14464	11506	17248	25131	39917	58410	10483	20519	13527	14090	20384	15723	22551	19029	51863	53579	19473	17960	23069	12256	150574	7937	46732	12826	11088	10156	10847	15712	10660	38864	12477	10495	16246	19401	41578	59432	13927	0	0	0	26073	24817	0	13921	18106	31675	22676	20907	0	17274	23985	15667	22236	15720	14869	20360	25505	24012	17514	12046	22981	20396	15439	103532	111288	157980	12034	11869	6927	10397	14926	0	9957	29724	22298	20797	16177	15441	30528	23153	16749	26826	15219	12637	24216	17621	19190	26250	20089	20000	0	20965	22830	23284	24035	23486	15321	13179	18745	16654	15045	20893	0	13164	18905	Phytochemical	0.2413793	1.0344827	0.0
20	C29 H30 O7	491.20642	491.20706	0.009008551	491.20642	13718	21309	15606	15804	11070	4870	4181	11444	14174	18008	20209	9501	14474	11553	10603	10837	12174	8336	14872	19326	25802	10603	7964	17992	7314	62020	7622	14774	7548	10939	6661	8630	12626	7378	24939	7958	12307	7548	16808	14747	26978	6660	475	0	0	10161	17867	0	11050	10524	14261	15364	5878	0	10437	12725	7760	12453	7392	9307	11913	14238	7588	7510	5547	13658	10823	13464	50008	48707	74296	5395	7227	8615	9615	9408	0	7239	15484	8328	12194	7657	9925	19331	14852	10571	18478	8696	9001	16919	11214	12986	14126	11702	11125	0	12819	12679	15318	16338	11788	14784	6378	15197	6051	8532	10831	0	7350	11933	Phytochemical	0.2413793	1.0344827	0.0
24	C26 H34 O7 S1	491.2098	491.2106	0.38563812	491.21	27099	18250	33858	20857	14189	9887	6300	7671	15403	56275	68712	5049	18861	7001	8893	14161	6941	13928	21894	62476	52752	28512	6727	7189	20590	89522	5247	37988	8803	4557	6657	5495	8904	7748	65019	5938	9865	4917	8589	47016	42463	8211	0	0	0	26066	29429	0	10337	7659	18875	40500	10812	0	11662	9728	7917	28642	23252	31246	13138	38697	11312	9181	8530	13058	11681	20180	39684	68495	119540	4133	5348	3194	5941	6057	0	2646	6652	37525	8340	16828	30154	36144	10430	8101	14989	9765	8198	29536	47870	40306	17644	41414	54026	0	14852	37790	7942	8548	6367	9813	4927	50786	19142	9631	7243	0	15696	13552	Organosulfur	0.26923078	1.3076923	0.0
10	C23 H30 O8 N4	491.21365	491.21442	0.13935223	491.2137	7349	6169	5407	6719	1121	2306	6145	8212	2528	5184	0	3669	0	0	6974	8428	9304	2249	2631	3449	2760	8636	6721	9570	8672	0	5227	5820	9402	5315	5978	10080	8118	7463	0	5328	10480	7415	4588	4244	3290	3633	0	0	0	5551	0	0	7486	5116	7376	5462	2546	0	3029	0	1319	6572	5467	2874	0	0	2164	2738	2007	5150	1786	9114	0	0	0	8585	6859	8019	3132	6118	0	4347	5488	0	5875	2819	4749	2440	0	1707	3694	3725	2665	10375	61285	51412	11786	4041	3117	0	8102	6638	1855	0	1681	8970	3607	9151	0	8101	1048	0	6262	2309	Peptide	0.3478261	1.3043479	0.17391305
8	C23 H30 O8 N4	491.21365	491.21445	0.13074194	491.2137	7255	8063	5169	6363	1471	2442	4839	6064	1662	4039	1936	5723	1034	0	7046	8051	5117	2314	5191	5536	5276	11445	4939	11482	6997	0	5006	0	9507	6818	5804	7920	7198	5287	4223	6968	8836	4763	7498	6209	3883	3590	0	0	0	5315	3207	0	10456	7993	7534	7660	2564	0	0	1413	2405	8201	4585	3633	7032	1758	945	1633	2363	3327	4020	9394	0	0	0	7027	7022	7412	4047	3939	0	5591	7045	7728	5533	2538	4577	3170	1333	0	5750	2969	2876	10033	28204	15407	17852	4899	5946	0	5766	5326	2036	1095	0	5169	4419	7986	0	9188	2065	0	7566	2040	Peptide	0.3478261	1.3043479	0.17391305
12	C23 H30 O8 N4	491.21365	491.21417	0.16335738	491.2137	2666	4509	2841	3255	1868	2822	5384	6678	1590	2735	0	3212	0	1166	5191	4260	3971	1869	3158	6570	2675	0	5891	7003	5217	0	3722	0	8146	2426	5161	6514	7086	5065	4042	5611	6424	5010	4590	3364	0	1741	0	0	0	0	0	0	7443	4777	5992	5589	1921	0	0	1116	1910	7356	0	0	0	0	0	2045	1360	3379	2830	0	0	0	0	3762	3404	4952	3726	5022	0	3255	5275	0	4661	2517	4585	0	0	2141	3327	1706	2620	10326	24280	24553	10754	0	0	0	5309	0	0	1129	1825	0	3667	5815	0	7380	1134	0	4810	2594	Peptide	0.3478261	1.3043479	0.17391305
6	C23 H30 O8 N4	491.21365	491.2145	0.090522185	491.21368	5289	4740	5124	5574	2043	1245	3562	8569	1439	2190	1211	3149	1103	636	4443	8224	5139	1698	3233	3135	2830	9335	5164	7438	6170	0	3534	0	6890	3959	6232	5989	8589	4770	3748	6266	5423	3485	4826	3634	6064	2520	0	0	0	5609	4020	0	8849	5603	5337	6480	1561	0	2559	1295	1318	6109	2084	3612	6098	2005	1050	0	1030	3792	2640	7374	0	0	0	6051	3439	4356	3211	4308	0	3615	4817	5626	3956	1777	3295	2210	656	1648	5003	2871	3422	10245	20663	13795	13759	3074	4504	0	5269	5100	995	1190	0	4389	3283	8658	0	6540	930	0	5046	1616	Peptide	0.3478261	1.3043479	0.17391305
26	C26 H34 O9	491.22757	491.2282	0.00346207	491.22757	71327	65916	70750	69723	77943	45938	27856	75150	81020	132152	57497	35671	121036	50970	61304	72789	33037	96487	103413	154109	151066	67334	56729	72081	40920	120343	19811	55875	66626	52155	54223	59984	66559	50079	157088	55081	82275	44630	44378	79860	56362	37568	0	0	0	56853	49697	0	54792	49798	70281	69413	53690	0	106616	75708	32907	66494	49600	26724	63817	45870	102579	73368	27601	79263	48195	36602	113632	206011	173569	54562	52381	51423	33333	51481	0	40362	73112	30949	54329	39335	37054	53178	87705	48751	60381	35613	39994	41744	61903	76078	92222	38134	65432	0	72079	75794	49968	77450	66016	61309	33182	67643	42930	48720	55152	0	41863	102803	Phytochemical	0.34615386	1.3076923	0.0
24	C26 H34 O9	491.22757	491.22818	0.045818176	491.22757	256514	257186	245035	254442	238511	194582	111564	240607	277656	588656	238865	123228	383936	147751	213909	209390	107818	333657	390008	568734	486960	254646	220898	261491	194188	380644	94228	241218	221630	189168	200635	217158	254786	183647	722934	213984	324228	167077	120710	344704	183379	141186	5187	0	0	249361	152534	0	216929	174954	265997	240159	197563	0	369674	217565	117787	218109	222869	78630	232594	203854	343295	267018	101876	267407	166094	124433	328021	761641	473852	221334	191903	186925	113823	183731	0	179311	244415	106813	206776	152788	151387	191647	237389	159215	203200	125806	163557	133271	254454	281280	329742	139726	247827	0	255127	252920	179162	207011	216797	222183	130904	242514	143172	201419	180486	0	145776	366001	Phytochemical	0.34615386	1.3076923	0.0
16	C26 H34 O9	491.22757	491.2282	-1.65584E-4	491.22757	175802	186719	165223	187883	114670	84730	161985	194347	131889	197286	149419	135341	126731	61925	160396	212551	204494	122937	166271	246453	226230	152375	168872	212821	133600	224286	139540	131435	176366	179445	170156	202488	204257	122271	220771	188583	182060	147572	233624	155040	177934	108692	2894	392	0	145599	146525	0	193684	179389	188649	185321	113167	538	150881	127065	96829	208365	148842	164750	210320	103092	158611	119983	82823	126809	115119	222695	182020	241006	301546	141883	155250	184294	193490	177557	0	131383	229092	117177	190180	122585	156359	129186	148450	95867	235923	85518	106212	349374	154256	165096	255868	106836	122702	796	180902	178590	112106	138985	147544	191854	123986	195569	91763	203904	127594	443	174421	139400	Phytochemical	0.34615386	1.3076923	0.0
28	C26 H34 O9	491.22757	491.22818	0.020228956	491.22757	20798	17742	23071	18836	22695	15699	9737	20344	18379	43484	19055	6752	33084	13629	13610	21459	12345	20685	27850	41727	43441	17221	14131	18084	12546	37640	7787	20713	18563	13916	11695	15144	18981	12236	47186	17644	19969	12311	14722	22074	19100	8902	0	0	0	15201	10373	0	17480	14771	20613	17146	16794	0	23150	15299	9959	19486	10718	7293	21405	13184	30324	18190	9641	27201	14167	11196	37817	66382	60562	14367	11058	13113	7560	11542	0	10241	21487	7538	12507	9615	11592	12052	22824	13090	21114	10291	11499	10419	16378	20257	21886	11548	17054	0	20392	19192	13301	20991	19959	21122	9935	19529	10664	16450	13885	0	10883	24310	Phytochemical	0.34615386	1.3076923	0.0
20	C26 H34 O9	491.22757	491.2282	0.05744475	491.2276	661503	712801	650391	608271	553168	395851	382039	687606	635734	1251022	662675	388785	641861	350451	592265	675380	394223	600181	786282	1270266	1180008	623217	542112	716704	499996	1119674	369482	682697	608471	574681	529485	569587	712427	501075	1408372	561210	711434	474070	446750	793166	542563	397879	14559	2187	440	599836	431755	1574	646121	544534	697617	673012	470613	2308	741881	508392	341742	657343	578340	333774	622834	487033	683814	577461	303619	553443	403269	488109	865634	1642632	1254473	573535	558794	601437	466108	533130	800	465777	654442	367307	565208	338944	494384	604312	586633	383321	627696	348787	432049	497543	654702	654005	813444	383868	490577	5083	678636	700525	463648	515176	477382	678416	417743	701095	382619	565125	448683	2356	484744	728018	Phytochemical	0.34615386	1.3076923	0.0
18	C26 H34 O9	491.22757	491.2282	0.030526273	491.22757	444576	440971	410761	369905	309304	217050	290064	429137	304445	584670	401758	261595	358963	181178	354835	473107	335233	311595	425551	649974	585781	356260	376478	451498	301975	593782	280054	355754	380112	353532	363329	433294	458793	342205	626141	409108	384863	318568	406824	423933	365820	235110	7142	966	591	331505	287721	1192	430234	339928	404440	400646	263718	1137	410588	301597	216262	445913	326813	283368	407575	274461	402982	327438	185374	310698	263660	407211	458622	676027	741608	321254	306130	382910	361882	430759	347	275836	484144	221369	376092	254976	320011	288846	348571	241783	446192	215472	246645	423120	377050	382766	475772	207825	311966	2723	405258	396099	286238	323322	294998	407511	269270	420643	191521	346534	264233	1072	317291	322520	Phytochemical	0.34615386	1.3076923	0.0
8	C20 H34 O10 N4	491.23477	491.23535	0.10420709	491.23483	1152	2916	2653	1722	0	1173	0	0	0	1368	1646	0	0	0	0	0	0	0	0	0	0	1372	0	0	0	0	0	23999	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2455	2704	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28698	643	0	0	0	0	0	0	0	0	0	355356	153483	0	9850	1767	0	2746	2147	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.7	0.2
6	C20 H34 O10 N4	491.23477	491.2358	0.2676905	491.2349	5477	6631	5165	6102	0	6566	0	0	0	3928	5127	0	657	0	730	1001	0	1829	0	0	0	1479	0	0	658	0	0	34383	1683	0	0	0	0	0	0	752	1105	504	0	0	0	0	0	0	0	0	0	0	0	694	5424	6934	0	0	0	0	413	1795	2751	0	0	0	0	0	0	1146	552	0	0	0	0	645	0	0	0	0	0	0	714	73788	0	0	0	0	0	0	616	0	0	0	590394	197406	0	21023	9354	0	4448	5985	0	0	0	0	0	0	0	0	418	0	0	0	Peptide	0.5	1.7	0.2
4	C20 H34 O10 N4	491.23477	491.2359	0.24354003	491.2349	2396	2944	2478	1807	0	7035	0	630	628	0	2159	407	502	0	276	627	0	720	508	0	0	695	0	0	0	0	0	9541	0	0	0	0	1329	0	0	739	633	485	0	0	0	524	0	0	0	0	0	0	0	0	2395	1812	0	0	0	0	0	831	0	0	0	0	0	0	0	329	0	0	0	0	0	0	969	0	0	0	0	0	0	61703	461	0	0	0	697	0	444	0	0	819	179433	49418	984	7788	3084	0	1033	1803	0	345	0	0	0	0	0	364	0	0	373	512	Peptide	0.5	1.7	0.2
2	C20 H34 O10 N4	491.23477	491.23584	0.33831355	491.23492	1550	1746	2308	1779	726	0	0	1350	797	0	0	932	1231	458	1099	259	972	637	1316	0	0	827	1447	1273	635	0	0	5131	1842	912	942	1750	2484	2070	0	1177	1943	1127	1846	0	0	0	0	0	0	300	0	0	1251	967	2129	1357	504	0	594	477	391	1396	0	263	552	0	0	887	0	1448	1222	1646	0	0	0	2457	1928	1902	0	711	0	1526	469	29180	698	0	0	0	756	654	802	1488	777	2876	10002	4597	2470	3861	0	0	1054	760	0	843	406	1200	1074	289	0	2504	731	0	755	1320	Peptide	0.5	1.7	0.2
18	C25 H34 O8 N2	491.2388	491.23944	-0.021292504	491.23877	24686	19228	16826	22221	5718	8036	13373	29682	7754	19081	9865	14163	6164	5454	21334	29530	19745	13269	23402	24535	18032	30832	11620	34058	26933	6479	15509	8711	24098	20457	23769	23811	31748	26669	21248	32305	30686	17979	19067	22851	19395	12534	417	0	0	21249	10416	0	27874	23700	20261	15480	15562	0	11852	5148	8987	26693	22222	15742	22259	18602	6383	9264	6563	9491	11949	18815	3663	12254	12170	29252	27005	17578	21159	22452	0	15302	20242	10917	11059	11206	21284	13633	2629	4896	21814	13219	14623	27515	38961	46361	44869	7773	22247	0	20882	22965	3775	3977	4746	38146	17046	27959	9018	31769	7466	0	21339	8960	Lipid	0.32	1.36	0.08
12	C25 H34 O8 N2	491.2388	491.23962	0.12157811	491.23886	12157	10042	11839	11152	4312	5096	8283	16273	6153	19978	6934	6813	4431	3563	9650	13370	9884	4809	7692	27602	21956	16921	9359	15700	13239	10642	5037	0	14285	9626	13253	9052	21592	12078	24390	12772	15813	13036	17194	20201	8084	7069	0	0	0	16874	7909	0	14399	11307	11084	10461	7000	0	3986	3449	3436	19024	0	0	0	7553	3105	5318	2431	4795	6745	12401	0	13302	13474	16942	13437	11925	8128	10514	0	9374	10328	0	6236	5741	8691	10352	3156	4832	11756	4250	7104	29084	19319	24729	26081	8701	13315	0	6992	12168	2251	2868	3848	13030	6327	14055	0	14717	2439	0	10262	5544	Lipid	0.32	1.36	0.08
16	C25 H34 O8 N2	491.2388	491.23944	0.008798133	491.2388	22022	19947	17698	16214	5784	9535	13893	26934	6142	20038	7880	9780	6623	6128	15829	18292	16044	7646	11441	23122	21334	30033	18648	22512	21758	5632	15569	8790	24844	22540	19367	30304	27443	21516	28848	26710	18779	14978	20005	22863	12629	10773	0	0	0	18082	11401	0	27457	21352	13888	15164	10197	0	10312	5381	5038	28763	13893	15404	20851	10250	5968	7545	4537	6783	14302	21006	2985	15736	8175	15561	17457	21037	19773	16551	0	14654	13029	10804	11280	10496	18390	16538	3827	5648	17031	10425	9190	30855	29815	39843	39145	8671	20445	0	17665	16493	5323	3240	5263	22956	12512	27967	8083	22107	4220	0	18330	4712	Lipid	0.32	1.36	0.08
10	C25 H34 O8 N2	491.2388	491.23956	0.071702965	491.23883	14426	11210	8588	12475	4031	4938	6930	15065	4412	12039	5559	6902	4939	3826	9239	11762	8607	5674	7286	15134	13586	18721	9905	17760	11844	5633	6130	5134	12838	9938	11478	14000	18598	11037	18575	13771	18384	8134	12186	20596	11711	6410	0	0	0	12524	7368	0	14671	9711	10275	7892	5658	0	6414	2672	2799	15854	0	3419	13670	8307	3700	4710	1618	3467	4919	10827	0	8926	6158	13373	13668	8248	7654	11625	0	8491	9267	0	8002	4564	4842	10322	1600	4027	8843	4757	6458	19487	21067	17491	21983	12062	15528	0	7043	11519	3262	2385	1409	12220	7850	12635	0	12640	2308	0	8216	4758	Lipid	0.32	1.36	0.08
8	C25 H34 O8 N2	491.2388	491.23965	0.13989908	491.23886	7732	9608	7285	6821	2466	3066	4341	16166	2592	9032	2011	5412	3851	1936	8724	9686	5103	3921	6895	16743	11007	12364	6934	14201	6031	2997	5923	4638	11538	8144	8686	9675	9456	8830	11402	11098	10806	5850	7798	10479	5183	4258	0	0	0	9638	5810	0	9790	9355	7251	7644	4190	0	4453	1275	1962	9212	2229	2227	9065	4416	2903	3022	0	4592	2952	8317	3302	6501	2095	6851	7136	7704	6164	8863	0	6315	7299	4686	5171	2041	2996	4349	1766	0	8058	3834	6362	13208	13053	9378	21180	4821	14720	0	6313	6723	2476	2582	0	10125	4930	11842	0	10583	0	0	7900	3594	Lipid	0.32	1.36	0.08
28	C30 H34 O6	491.24283	491.2434	0.012086684	491.24283	5737	4902	4433	6393	6687	1619	2479	4906	5140	3204	6696	2450	5705	3318	3113	6668	0	2352	5548	4692	3927	3228	3547	5016	4338	21317	3113	7323	3208	4875	5156	2373	5290	2299	4577	5033	5286	3366	4575	5847	7476	3271	0	0	0	2697	3723	0	4265	4189	6686	4762	1843	0	4365	6028	2270	5349	3449	3693	6580	2460	3160	3431	2886	7599	5865	5075	20895	12144	22475	2145	1947	3290	0	3609	0	3507	9809	8857	4049	4732	4044	6918	8054	2101	12797	3781	3487	4196	4362	3564	7444	7950	2460	0	5801	5024	3903	15700	16225	5357	2094	4662	0	5006	5750	0	5176	3045	Phytochemical	0.2	1.1333333	0.0
24	C30 H34 O6	491.24283	491.2434	-0.014947302	491.2428	39373	43538	39406	44095	35350	18926	21275	33329	29818	31199	58003	25284	31634	26117	27247	43688	46550	27409	36144	50376	47333	34093	36481	44251	39239	134812	20417	49293	26789	29582	27391	29352	33502	24375	43339	35166	39556	27387	45474	46371	54900	26715	0	0	0	29694	30792	0	32481	30673	44034	39030	29946	0	27243	39128	24701	42888	30523	29606	42030	36133	23651	30626	20204	44178	39093	49477	116311	86770	132888	25913	23891	25945	25344	32656	0	24196	64250	39163	42761	23788	26100	48588	44209	28545	88950	25739	27562	67257	36055	32052	60898	37292	40186	0	40898	42521	29183	47845	48910	44974	20438	43062	17061	44479	32140	0	48652	23913	Phytochemical	0.2	1.1333333	0.0
20	C30 H34 O6	491.24283	491.24347	0.028772943	491.24283	9578	8489	9142	6686	7144	2907	10384	6419	5576	3178	8832	7308	3943	5003	11228	12461	19715	0	6524	5117	6300	6717	6751	9715	13942	19642	10527	13034	8279	10408	8418	11922	9801	4749	6873	9791	10583	13974	22372	5804	12768	7695	0	0	0	4836	4301	0	11530	11620	11915	9454	5116	0	1717	6036	6883	9861	6332	9090	9095	4996	4118	8096	5562	6154	4845	19811	18593	21508	28586	5370	4710	7792	11161	8725	0	5574	26853	7024	13748	3920	10994	11093	7957	7584	32633	6825	6722	29535	10344	11886	16585	5759	10335	0	8476	4719	7070	11638	14494	11652	9639	11171	6715	14052	8145	0	15657	4581	Phytochemical	0.2	1.1333333	0.0
26	C30 H34 O6	491.24283	491.24344	-0.019274512	491.2428	27841	30493	26635	23467	20253	9871	8336	27673	20257	17138	41110	16036	27005	15625	19581	25769	19034	14393	29709	34243	31545	18623	21670	33629	30800	111242	9806	42156	29018	32217	22150	19213	31198	17954	22995	27843	28287	17129	20330	33134	36782	18172	0	0	0	24499	23048	0	24394	28717	21511	28289	25742	0	21343	28679	16527	27964	20817	15055	29280	19846	18920	17360	10385	24861	35084	19994	108383	58168	85974	19955	18938	13583	12846	19175	0	20077	40361	28195	25477	14518	23330	36601	30502	20745	61102	17955	19881	26832	18589	23044	40276	34674	17170	0	22548	25266	16218	51944	45602	36920	16053	27118	11548	26092	27612	0	27356	16444	Phytochemical	0.2	1.1333333	0.0
22	C30 H34 O6	491.24283	491.2434	-0.033950303	491.2428	27669	36404	20150	24632	21297	9922	14320	32909	17589	19377	29743	20240	16703	12630	30012	42386	38439	7262	19596	31523	34206	21877	25524	30579	25904	75812	16699	26165	22614	25608	20742	22572	26333	15120	21531	28245	23704	26660	34824	25257	37239	19745	0	0	0	16385	20152	0	19022	22775	30056	24316	22363	0	19798	24283	17159	26955	18913	21194	30051	17910	19564	13813	10491	15219	21797	38506	58007	56679	78219	14560	14488	19049	17471	23287	0	20286	59018	25875	32903	16444	22822	25180	25210	15872	67014	16911	17609	52215	21118	29760	36040	24493	24098	0	21698	26006	16598	34751	35588	33680	21702	31657	14723	28833	20612	0	38844	14452	Phytochemical	0.2	1.1333333	0.0
16	C24 H34 O7 N4	491.25003	491.2504	0.020332376	491.25003	0	2986	4090	5670	2288	4153	4040	8571	0	7863	2458	1851	2472	1397	1849	5030	5317	0	3785	9295	7442	4982	3956	5880	3648	8529	3859	5327	5056	7975	3523	4616	5487	3412	5810	4750	4249	3660	7830	4731	6804	1931	456	486	0	4471	2362	738	5855	4499	4047	7054	1852	0	0	1950	1873	5617	2413	3683	9338	4651	1943	0	1677	1728	3116	5021	7940	8953	8003	7683	4235	6448	8074	7553	314	2424	4816	21442	5344	1447	3576	3568	2097	2204	2534	3315	2629	0	96846	19857	0	4466	2186	0	5775	2355	2922	1831	2521	6379	3124	4176	0	0	2202	0	3991	0	Peptide	0.29166666	1.4166666	0.16666667
10	C24 H34 O7 N4	491.25003	491.2507	0.21810827	491.25012	3233	3273	3957	5239	0	2885	989	1148	0	0	2396	946	0	0	1426	0	0	0	1279	0	0	2445	0	1845	2167	0	0	27211	0	1229	1107	1678	0	868	0	900	0	1177	0	0	0	0	0	0	0	0	0	0	0	1090	3697	3800	0	0	0	0	0	2598	0	0	0	0	0	0	0	0	0	0	0	0	0	2048	1390	1241	1506	1589	0	0	1013	171118	0	0	0	0	0	0	1984	0	0	2718	355210	80021	2070	17817	2617	0	3331	4161	0	0	0	0	924	0	0	1119	0	0	2117	0	Peptide	0.29166666	1.4166666	0.16666667
8	C24 H34 O7 N4	491.25003	491.25095	0.33318454	491.25018	2896	1369	2783	2589	704	1811	1284	0	0	0	1805	859	0	0	1399	1404	0	0	0	3075	0	3520	1231	1326	2137	0	1127	32088	1671	0	959	1592	2295	1449	0	837	2197	0	1204	0	759	891	0	0	0	0	0	0	1332	1492	3202	2431	785	0	0	0	585	1056	0	0	0	0	0	0	0	0	667	1621	0	0	0	1597	828	0	0	999	0	633	0	112498	0	507	593	0	0	0	1128	0	0	2935	139615	35801	2352	10693	1577	0	4092	2092	0	0	0	1612	0	0	0	1631	0	0	2317	0	Peptide	0.29166666	1.4166666	0.16666667
12	C24 H34 O7 N4	491.25003	491.25082	0.30328882	491.25018	12468	17852	26112	20876	0	3928	0	7676	0	0	24160	4000	0	0	0	8608	0	0	0	0	0	0	0	0	6388	0	0	157228	10480	3712	0	0	13024	5648	0	0	7956	0	11852	0	0	0	0	0	0	0	0	0	5828	0	27616	8444	0	0	0	0	0	0	0	0	0	0	0	0	3564	0	0	0	0	1434	0	4732	7816	5936	0	0	0	0	0	1668856	0	0	0	5364	0	0	5208	0	0	0	1736932	390368	0	168924	13728	0	14428	16396	0	0	0	0	5724	0	0	0	0	0	0	0	Peptide	0.29166666	1.4166666	0.16666667
6	C24 H34 O7 N4	491.25003	491.2506	0.11792095	491.2501	1582	834	697	800	0	0	950	2282	0	0	0	550	0	0	890	0	0	0	0	0	1232	0	1090	772	1674	0	0	0	0	0	0	937	1834	999	0	770	1310	0	0	0	0	1116	0	0	0	0	0	0	0	746	1934	1113	448	0	0	0	0	0	0	0	1861	0	0	0	0	0	524	0	0	0	0	760	727	0	0	1009	0	511	970	24385	797	0	455	0	0	0	0	714	668	0	16986	5861	2435	1844	0	0	1938	974	0	0	0	1108	0	0	0	913	1283	0	1438	873	Peptide	0.29166666	1.4166666	0.16666667
14	C24 H34 O7 N4	491.25003	491.25058	0.087604955	491.25006	0	0	7708	4434	0	0	0	0	0	0	0	0	0	0	2256	0	0	0	0	0	0	0	0	0	0	0	0	40894	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6056	5608	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2840	0	0	2558	0	2688	0	346780	0	0	0	0	0	0	0	0	0	0	696590	102062	0	18586	4436	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.4166666	0.16666667
10	C29 H39 O3 S1 Na1	491.25903	491.2594	0.07196101	491.25906	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4587	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21940	5338	0	0	0	0	0	1572	0	0	0	0	0	0	0	1301	0	0	0	0	Organosulfur	0.10344828	1.3448275	0.0
20	C27 H38 O8	491.26395	491.26456	-0.004243628	491.26395	240764	240843	248287	235634	224666	140714	198997	249448	225008	232773	172002	185655	233581	145612	216883	291976	304242	205604	322105	287688	283827	192109	195240	238026	178850	282900	201015	172828	244089	245443	207945	242752	282792	188194	263536	243847	272503	190329	325994	174685	192952	159014	5558	857	0	159297	173432	1255	238420	209118	253190	242319	210245	847	276273	225468	152817	273447	164143	164425	251783	119034	245602	228926	151614	215319	165284	326270	228425	321446	357504	174390	196134	223227	304915	237284	264	170325	319891	147049	220152	114124	214022	177747	294954	188732	301398	154714	174417	277242	255487	264826	278117	125940	173738	1941	234147	242594	186053	287267	289628	280752	169430	261007	136132	218794	230619	693	214642	242384	Lipid	0.2962963	1.4074074	0.0
24	C27 H38 O8	491.26395	491.26456	0.032649804	491.26395	434316	418127	403435	428241	432693	290745	258513	400105	445832	687108	406898	214736	499536	248850	341719	398900	274626	502401	691173	828492	721754	360127	340845	392579	338143	623837	222225	427009	411651	373396	341413	406366	507277	338475	859712	415924	574173	285530	306567	477893	284981	236770	9101	0	0	335948	229668	0	446416	332782	407883	416800	349692	0	664106	403446	221703	464835	364676	195702	433316	281795	551027	458947	192881	443118	321977	296069	492786	992635	696037	338664	338228	356653	264934	360220	0	276614	395679	203215	322795	223767	322200	303887	436627	285017	398139	226502	344621	282244	466282	496690	508973	225692	373045	0	428855	408116	292291	394703	403898	485442	230110	485839	223045	371394	333713	0	268832	507519	Lipid	0.2962963	1.4074074	0.0
18	C27 H38 O8	491.26395	491.26456	-0.043659292	491.26392	114583	109858	116032	90499	81166	52867	96673	102016	78336	71137	63991	84762	77516	45624	91471	143093	171427	67167	114909	88523	89542	73505	81619	105110	74027	97059	102667	69971	104519	98744	96848	122360	115725	101775	72991	121224	103736	95186	178130	56561	74896	63155	2038	326	0	51969	61127	400	115858	90641	106659	101552	79631	256	116877	89669	64988	127284	68110	85769	119604	40157	103252	83811	54633	83148	74162	182168	70107	96995	132859	61792	71253	109967	149191	117062	0	71762	143724	58829	105165	55637	86424	53076	122475	87663	152882	56248	71318	159258	96389	94119	136910	50343	65223	445	98370	107587	76451	121271	123141	122945	72612	100825	30219	91648	88419	0	94191	63688	Lipid	0.2962963	1.4074074	0.0
26	C27 H38 O8	491.26395	491.2646	0.031439822	491.26395	176507	164888	175165	168277	178309	111739	99475	191277	199916	231916	151583	99949	239882	117410	163911	179368	114469	204906	284903	308569	274485	165904	134760	167218	159120	245232	95760	169258	215934	194907	171461	178942	230213	144974	332705	206181	242309	116900	114026	187195	121269	114289	4324	0	0	165428	106112	0	208615	168082	173125	170658	143681	0	281550	195864	102883	196712	159788	84564	187969	122123	199495	169905	72960	163401	133872	121711	237009	411187	300079	138030	133231	170402	130112	156302	0	122119	148870	85368	127057	98153	138420	130198	188047	129186	164092	97370	124727	105392	190939	218830	219628	101777	150412	0	156422	183133	115494	173929	179370	222813	97943	263931	113709	134302	152392	0	114136	203693	Lipid	0.2962963	1.4074074	0.0
28	C27 H38 O8	491.26395	491.26456	0.07804624	491.26398	31506	25518	28281	27331	32045	18948	32132	31087	30100	31808	25786	14140	44931	19121	20865	33244	27295	29817	44340	45643	38252	23087	22492	24942	23526	49348	55804	27718	40623	44355	38828	33661	43774	26867	52558	42561	34118	16261	21488	24183	24733	18134	2857	1894	0	24006	18741	1780	45898	33867	31685	28172	26875	0	40289	31425	13923	44405	21035	13111	32833	17420	34977	28479	14822	35572	24040	24228	44209	69499	73151	25829	20680	23781	26497	30370	0	17744	27544	13650	17280	15696	24615	21677	32221	21357	36294	13974	22806	22015	27849	33483	34924	17188	19667	1400	31380	27843	19531	41012	38093	41527	18203	54667	18004	24260	22587	2011	17669	27294	Lipid	0.2962963	1.4074074	0.0
16	C27 H38 O8	491.26395	491.26462	-0.055036295	491.26392	35927	38806	36419	38243	17352	13423	42448	42600	21276	15480	15127	27641	15221	12062	31442	50932	73594	13852	30824	22600	17856	18886	28938	36233	30168	20759	43907	14440	32553	34030	36918	42944	36257	21756	19012	44746	30462	36978	91476	11977	20305	17603	755	0	0	18141	14284	0	36412	41153	33887	33153	16672	0	35670	27784	23215	37425	19702	33514	40310	6983	28263	18183	17826	19217	14431	83184	20916	20396	29559	16569	24117	47998	68705	38810	0	27035	57705	13709	38457	13343	31259	14307	41951	21372	62561	12520	18886	81827	20333	27060	40148	11687	18814	0	36042	34034	20949	44468	48678	46923	25074	29811	11450	31849	34451	0	45589	18300	Lipid	0.2962963	1.4074074	0.0
24	C31 H38 O5	491.2792	491.27975	-0.08099707	491.27917	15591	19988	12534	15842	9753	6068	16346	17701	11445	6246	16277	18028	5821	9509	19237	33485	43669	5477	14957	11826	13767	13559	14225	22791	25592	35365	25238	17544	19683	21642	21444	22299	22989	12837	11263	26763	25602	21684	39495	15998	21298	12119	0	0	0	10109	13164	0	22080	26960	17348	19099	11842	0	12348	13135	11036	21854	14739	24684	24515	12117	5700	10488	11145	9426	15871	42009	22852	16885	22597	9516	14283	21034	24266	22233	0	15399	31703	12397	25420	12083	14448	14519	17917	18658	30397	11812	9916	38483	16487	17870	27955	9251	8947	0	19728	16301	13284	16778	18521	33791	16673	27728	9717	18907	14364	0	31392	5376	Phytochemical	0.16129032	1.2258065	0.0
26	C31 H38 O5	491.2792	491.27982	-0.060812246	491.27917	23455	22829	19008	17766	13272	7770	14723	35217	13805	7989	22504	15602	9369	9031	22078	28266	38973	5793	15705	16605	14178	18657	17540	26271	31516	60811	18304	23717	24139	32129	22971	19885	29044	15184	10253	31405	20831	24303	31024	18419	23858	14905	0	0	0	10023	10885	0	21283	26119	19422	18193	14291	0	14273	16300	17214	26809	18548	19883	29570	11658	8305	10521	10672	10915	24893	36464	44080	23748	29653	13384	15740	25012	19953	23610	0	15246	30112	17244	21518	9301	17697	19509	20203	13082	34823	11855	14157	27533	16322	16653	30689	19812	8991	0	20591	15618	12421	22130	29383	38700	16045	24194	7216	24501	18725	0	29715	7008	Phytochemical	0.16129032	1.2258065	0.0
10	C25 H38 O6 N4	491.2864	491.28714	-0.12702054	491.28635	1895	0	0	0	0	2856	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13136	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	121434	0	0	0	0	0	0	0	0	0	0	154447	36001	0	13472	0	0	1583	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.24	1.52	0.16
20	C28 H42 O7	491.30032	491.30093	-0.047496215	491.3003	31467	22597	28846	24200	28675	12876	41858	27437	26837	11680	10650	24927	14111	19614	29134	42708	69498	19473	30350	8653	11670	9702	18577	23441	21250	11352	41093	15094	30478	28763	25096	36269	31067	18746	9768	41590	26760	24434	73733	6639	6371	17454	0	0	0	8231	10011	0	34386	21691	26903	27138	21467	0	35729	39700	22608	34641	11298	22820	24294	5310	31834	22877	25958	17521	23315	67452	5857	8205	16582	11312	17825	32725	64957	27892	0	19808	45607	14904	25234	6823	24445	8020	52754	25725	55120	18573	19802	66445	26617	21307	21385	9042	9915	0	24380	28970	26618	66034	62475	38011	19775	20878	7760	21565	44692	0	33674	15128	Lipid	0.25	1.5	0.0
18	C28 H42 O7	491.30032	491.3009	0.031318963	491.30035	5087	4965	7155	8418	2801	0	10229	4452	2913	0	0	3649	5046	5753	0	8709	22056	3222	2828	0	0	0	3415	6139	6824	0	14025	2053	0	6099	4936	6299	7111	7504	0	9178	5359	6258	22834	0	0	3095	0	0	0	0	0	0	5220	2506	7166	5592	4836	0	12440	11333	3302	3280	3152	4912	4437	0	2063	5333	3834	3131	2987	24526	0	2919	2234	1263	2292	9250	21791	0	0	4827	8538	2028	6915	2134	2898	0	18094	6729	11589	1971	3532	21474	2909	3708	6289	0	0	0	2965	5461	4979	12583	14772	10527	2804	2609	1604	4532	6703	0	7654	3667	Lipid	0.25	1.5	0.0
24	C32 H42 O4	491.31558	491.316	-0.17988126	491.3155	4452	3269	3397	1005	0	826	3380	3199	0	0	0	1254	0	0	0	14615	106515	0	0	0	0	0	0	0	2966	1681	5713	1240	1505	0	0	4676	1093	0	0	0	2599	2447	151970	0	0	1450	0	0	0	0	0	0	1697	2991	2922	3856	1102	0	0	0	1041	10366	0	1169	1977	0	0	0	0	0	1450	195917	0	0	3689	0	1110	2195	5298	3913	0	0	0	0	1409	0	2666	1623	1544	0	6464	0	0	11096	0	0	2365	0	0	0	2740	2836	0	2570	5356	1847	0	0	0	3934	1227	0	4490	0	Phytochemical	0.125	1.3125	0.0
26	C32 H42 O4	491.31558	491.31607	-0.082940586	491.31555	7360	10588	9124	7696	0	3320	4383	0	0	0	2675	0	0	0	0	47873	40122	0	7307	0	0	0	0	0	7279	5536	8837	0	15091	0	4401	11938	16802	0	0	19190	13830	3383	55218	0	2184	0	0	0	0	0	0	0	6309	9253	8355	8467	0	0	0	6681	0	179309	0	3999	24968	0	0	2800	0	1474	5103	65484	0	2726	5810	0	0	0	8335	16513	0	4194	7305	0	3184	0	3146	0	0	0	14879	0	0	13843	2004	1836	4287	0	0	0	6614	7527	3059	10500	9174	23779	4623	0	0	34667	0	0	7816	0	Phytochemical	0.125	1.3125	0.0
16	C26 H42 O5 N4	491.32278	491.3234	-0.003943774	491.32278	0	0	0	0	0	2208	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31611	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	77886	0	0	0	0	0	0	0	0	0	0	160568	20494	0	11013	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.1923077	1.6153846	0.15384616
28	C29 H46 O6	491.33673	491.3373	-0.04883647	491.3367	14276	14582	15121	13073	11036	5401	76594	19423	11242	2695	12727	6418	5674	15054	10301	20108	31564	6725	12675	4506	2621	4843	8334	8523	24054	9430	57229	19753	23157	24895	16599	21519	26109	12129	4285	27950	19511	15274	33640	5647	5450	10137	0	0	0	6750	3245	0	16733	16561	15157	11352	8625	0	19588	16015	10150	27728	19411	6179	21509	12417	7663	11548	11751	12411	20455	34715	6509	4312	3641	5911	11192	29629	10794	15362	0	10723	17502	17920	9619	9540	17946	12689	31229	18176	42012	5466	11929	20737	18209	21974	12157	8498	3126	0	14918	15318	10361	30549	39554	28988	10172	16880	22974	21500	23095	0	16413	4654	Lipid	0.20689656	1.5862069	0.0
22	C29 H46 O6	491.33673	491.33722	-0.03523359	491.3367	3811	3087	5515	3191	2549	2271	16593	6650	2206	0	0	4877	0	4787	4847	11108	33328	0	1770	0	0	0	3163	5197	6645	0	13282	1918	6964	12545	6070	10129	6349	4003	1901	12735	6717	4533	32791	0	0	3783	0	0	0	0	0	0	9098	9250	4048	2713	3799	0	3462	3908	2622	10824	0	4736	8635	0	1519	2793	4508	2241	2986	37536	0	0	0	1605	5674	12033	22303	9317	0	3557	10310	1848	3775	0	4379	0	5355	5498	19365	1857	3167	32012	4544	3194	3157	0	0	0	4054	3433	1587	7164	7768	11913	3878	0	0	5752	9037	0	11052	0	Lipid	0.20689656	1.5862069	0.0
26	C30 H50 O5	491.3731	491.37344	-0.019686121	491.37308	3712	3092	4442	2884	0	0	48557	6057	0	0	0	5778	0	7804	0	5583	21153	0	0	0	0	0	0	0	7925	0	50341	4391	0	10447	5529	5167	2634	2218	0	7295	2168	9004	21800	0	2363	0	0	0	0	0	0	0	3886	7295	2931	3729	0	0	0	0	4569	4630	0	3516	11422	0	0	0	8704	0	2679	24605	0	0	0	0	0	11423	8792	7669	0	4547	9443	11958	4245	0	3480	4055	0	0	20119	0	2282	24266	4068	1578	0	1915	0	0	4881	0	0	1780	4479	5529	3971	0	0	1704	0	0	8232	0	Lipid	0.16666667	1.6666666	0.0
28	C21 H17 O13 N1	492.07727	492.07788	0.09283167	492.0773	6324	5191	5657	5796	12030	7506	1119	0	11299	6638	0	1218	25873	4102	2366	0	0	16606	11809	4842	9755	10726	3761	2880	0	0	0	0	0	0	1254	0	1877	1314	7909	0	1683	1611	0	2354	6549	0	0	0	0	8127	15456	0	0	0	5537	3803	5940	0	15606	11738	2805	0	0	1387	2181	3962	21940	13054	3439	11736	3247	1141	0	0	2004	1019	0	0	0	0	0	1395	5876	7308	3882	6311	0	0	13797	4249	4039	2723	3415	0	950	2452	3344	12009	10400	0	5994	5782	8987	7242	10510	0	0	0	12262	2609	9600	0	988	22125	Phytochemical	0.61904764	0.8095238	0.04761905
16	C21 H17 O13 N1	492.07727	492.07812	0.220712	492.07736	9173	5067	4576	9098	13513	3193	0	0	16964	3408	6133	0	29481	2086	0	0	0	13399	12602	3514	10287	34491	4309	0	0	0	1268	0	0	0	0	0	1844	0	6882	0	0	2054	1595	4755	15630	4190	369	0	0	10055	26210	0	0	0	6385	4966	8310	0	18227	21424	4724	0	2022	1854	0	6751	33407	18337	6681	12889	2379	2664	0	0	2391	0	0	0	0	0	0	0	4463	16288	2973	13832	0	0	28091	5693	2838	5786	1271	0	0	2041	0	32991	19538	0	4257	3790	14414	17504	20341	0	0	0	15513	0	12034	0	0	27172	Phytochemical	0.61904764	0.8095238	0.04761905
18	C21 H17 O13 N1	492.07727	492.07803	0.16863391	492.07736	7308	5844	6349	9973	16065	3833	0	0	21684	5159	4102	2340	33704	4567	1716	2638	0	25885	17139	3860	11073	37563	3334	0	0	0	1552	0	0	0	0	0	3900	0	11254	0	2245	1747	0	3207	9223	5386	0	0	0	8969	37331	478	0	0	3758	8079	8740	0	24386	18855	6067	1313	1422	2367	0	9251	31506	20717	6236	18978	4827	0	1384	0	0	0	0	0	2859	0	0	1849	2415	17213	4059	13219	0	0	20573	5731	4939	3856	7482	0	0	3151	0	36253	18653	0	6420	5589	16573	18165	20025	2742	0	0	23513	0	14765	0	0	26554	Phytochemical	0.61904764	0.8095238	0.04761905
20	C21 H17 O13 N1	492.07727	492.07806	0.12940578	492.07733	12186	8668	11246	8832	24816	9944	0	0	32486	11062	3550	2256	56240	9258	0	0	3072	33444	29422	13842	14492	30164	7852	4904	0	0	0	0	0	0	0	0	5384	0	5498	0	3346	3136	0	3988	10478	7146	0	0	538	22788	50702	1308	0	0	10130	10722	21146	0	24912	26350	10784	3718	0	3652	0	16736	60060	36900	9374	29740	7412	2468	0	0	0	0	0	0	0	0	786	2254	10762	38130	5784	19232	0	0	49732	13016	7540	7502	12136	4240	0	0	9541	52098	32176	0	14888	10348	19802	28850	37576	3338	0	0	43540	0	29402	0	0	52568	Phytochemical	0.61904764	0.8095238	0.04761905
24	C21 H17 O13 N1	492.07727	492.07797	0.18546113	492.07736	3418	3820	3153	2623	7882	6183	0	0	8340	3756	1765	858	19907	2156	0	0	0	12847	7954	2829	5566	12504	2334	1849	0	0	0	0	0	0	0	0	1313	0	3395	0	0	1104	0	1786	3001	1168	0	0	0	3474	14117	0	0	0	3123	3425	5439	0	15083	9612	2275	0	0	2069	0	4373	26019	10553	1538	7169	3509	0	0	0	0	0	0	0	0	0	0	1653	5007	5577	3693	6015	0	1360	14208	3430	2298	2582	3067	0	0	1430	1333	10198	10767	0	2860	3639	6813	5669	8702	1655	0	0	10799	0	9785	0	0	21770	Phytochemical	0.61904764	0.8095238	0.04761905
14	C21 H17 O13 N1	492.07727	492.0782	0.20437527	492.07736	3467	2595	0	3313	8661	2651	0	0	11455	5764	4926	0	23560	3818	0	0	0	10239	9162	5117	10669	14933	0	0	0	0	0	0	0	0	0	0	0	0	7569	0	0	0	0	0	10834	1409	0	0	0	3798	24514	0	0	0	4957	2462	5135	0	11087	11552	2621	0	0	0	0	3439	30274	14859	2677	13443	5155	0	0	0	0	0	0	0	0	0	0	0	2267	0	1074	9129	0	0	14865	3367	1807	3850	0	0	0	2240	2180	29970	10293	0	0	2172	9190	17918	14410	0	1321	0	0	0	10261	0	0	20926	Phytochemical	0.61904764	0.8095238	0.04761905
22	C21 H17 O13 N1	492.07727	492.07803	0.085027166	492.0773	1955	4605	3969	2093	11968	2528	0	0	15734	0	2557	1793	24771	6145	1948	0	0	11135	9506	3128	4129	13576	2231	1374	0	0	0	1324	0	0	0	0	0	0	2961	0	2393	0	0	2183	3715	4016	0	0	0	8787	21529	0	0	0	5266	6436	5855	0	15101	16099	3231	0	0	0	1585	4315	26444	15006	3914	12515	5597	0	0	0	1989	0	0	0	0	0	0	969	3424	5530	3296	10459	0	1497	16288	7439	0	2890	4640	1915	0	0	0	19840	12800	0	3130	5468	10783	9610	12123	2409	0	0	16833	2126	10121	0	0	21437	Phytochemical	0.61904764	0.8095238	0.04761905
26	C21 H17 O13 N1	492.07727	492.07797	0.08048263	492.0773	5057	3972	4727	2679	10828	5718	0	0	10647	4720	0	0	22683	2969	0	0	0	11943	10450	0	7301	12691	0	0	0	0	0	0	0	0	0	0	1492	0	6992	0	0	0	0	0	3579	0	0	0	0	7187	17196	0	0	0	5313	4607	4826	0	18685	9536	0	0	0	0	0	4306	23787	12777	2470	9018	2759	0	0	0	1585	0	0	0	0	0	0	0	5257	7206	2902	4078	0	0	12219	0	2504	2644	2822	2190	0	1431	0	10592	12790	0	5297	5078	4379	11014	9122	0	0	0	9427	0	4572	0	0	20804	Phytochemical	0.61904764	0.8095238	0.04761905
14	C18 H21 O15 N1	492.0984	492.09927	0.09346212	492.09845	1665	2042	0	2866	8140	4295	0	0	11739	0	0	0	21634	0	0	0	0	9789	6117	0	2736	0	3347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3412	0	0	0	0	0	0	0	1075	2258	0	4278	0	13302	13157	2997	0	0	0	0	0	14850	6875	3267	7874	3467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16363	0	0	2937	2442	0	0	0	0	0	0	0	0	0	6251	10806	13820	0	0	0	0	0	7522	0	0	20258	Phytochemical	0.8333333	1.1666666	0.055555556
28	C22 H21 O12 N1	492.11365	492.11423	0.050274145	492.11368	4440	5937	6988	4510	9852	5567	0	0	9063	14927	2921	863	11727	3514	0	0	0	10795	8651	9875	11222	13699	3882	0	0	0	0	1499	0	0	1080	0	1064	0	15629	0	1543	1828	843	7943	6205	0	0	0	0	13589	20261	0	0	0	5571	3900	4256	0	9533	6298	2735	1755	0	1328	2123	6670	14094	6988	2207	6638	2573	940	3273	7541	6270	0	0	0	0	0	0	0	5619	8068	2918	13231	1118	3766	7335	4428	1527	1370	2058	1065	1093	4259	4264	9489	18225	0	5055	7496	4109	4399	3696	0	0	0	12257	1445	4655	0	1556	14869	Phytochemical	0.54545456	0.95454544	0.045454547
14	C22 H21 O12 N1	492.11365	492.11444	0.12639464	492.1137	36160	41526	35860	37744	39722	27097	7383	8765	55580	115872	65220	9815	95259	19640	12707	11950	12805	59170	41935	86755	122449	126544	25299	16642	7927	20733	9188	20111	9032	7416	11719	0	18437	7349	145610	8813	14007	12020	13348	71800	96095	16322	0	0	0	83967	170030	0	10868	7313	36998	42733	26679	0	68623	44111	19568	14950	15900	14699	24410	56317	94233	52772	17856	49820	22688	12452	52551	27425	37261	9007	6554	6027	8718	6033	0	8670	23245	78996	15823	78498	8091	24139	48021	25476	24317	24240	18235	26881	6769	23751	19185	123700	107527	0	36049	36868	37834	48890	45497	14514	8693	20997	106388	16425	39046	0	8199	71553	Phytochemical	0.54545456	0.95454544	0.045454547
26	C22 H21 O12 N1	492.11365	492.1143	0.03539012	492.11368	3862	4629	7852	4049	9207	5800	0	0	8560	15368	2893	0	23523	2208	0	0	0	13934	10796	11410	13806	12836	0	0	0	0	0	0	0	0	0	0	0	0	15352	0	1981	0	0	4818	7716	0	0	0	0	17256	27662	0	0	0	4184	5235	4642	0	9999	7642	0	0	0	0	0	5948	17401	9014	3599	8287	0	0	0	6665	5392	0	0	0	0	0	0	0	3168	8339	3073	13696	0	3163	8527	0	2769	0	2452	0	0	3738	0	16422	21564	0	5138	6545	4983	4435	0	0	0	0	18154	0	7092	0	0	15875	Phytochemical	0.54545456	0.95454544	0.045454547
16	C22 H21 O12 N1	492.11365	492.11438	0.10147027	492.1137	46438	49807	42485	49522	63293	34329	12251	7977	63750	118229	53797	10169	114336	17279	13680	16252	12477	80082	72960	91676	121599	122051	29084	20134	10061	23173	9273	24827	10266	8001	10751	9001	19343	9128	166718	8792	23884	15182	9105	70357	72738	22242	1635	0	0	114941	162402	443	9863	14668	47108	49391	36387	0	85529	57515	27670	18461	17490	11702	14696	60613	121850	55315	21263	63566	29419	12337	48659	26318	45520	12827	6140	5014	9069	9558	0	8420	24774	95078	22306	96930	6942	32060	66534	28946	21620	23582	21980	0	21335	26346	0	113822	141096	0	43598	47856	47192	56883	60174	15347	8150	20339	107463	18770	49387	0	13190	111892	Phytochemical	0.54545456	0.95454544	0.045454547
24	C22 H21 O12 N1	492.11365	492.11426	0.14556913	492.1137	4590	6493	4830	5339	7992	10285	2128	0	11472	15209	4864	0	22877	4556	3897	2356	0	23422	12028	11071	14376	20310	2448	2022	3272	2362	0	2272	1656	0	0	0	1570	969	20165	0	1899	1668	0	8048	8994	0	0	0	0	26989	37872	0	980	0	5714	3916	4303	0	14889	8402	4254	1634	3492	1221	1778	10844	23769	11700	16867	11995	2632	0	6783	3347	5339	1206	0	0	0	0	0	1298	9855	13025	6657	21044	1270	3869	14114	5422	3878	3052	2042	0	2389	3134	3207	20074	23900	0	8871	4709	8674	8529	10244	0	0	0	23755	1662	6803	0	0	27481	Phytochemical	0.54545456	0.95454544	0.045454547
22	C22 H21 O12 N1	492.11365	492.11435	0.18097094	492.11374	10535	12930	10099	10261	23834	12212	1659	2901	19826	32563	11805	2965	33136	8074	4482	1543	1626	34109	12809	25908	26348	35057	7483	1962	4527	3436	1675	10446	0	1962	2231	0	2098	0	26289	2529	4404	5666	1409	19490	14745	3856	0	0	0	40335	67908	0	1778	3197	9715	13575	11040	0	24220	19051	7921	3368	2811	3748	3800	17645	33788	23908	7318	22719	6042	1828	13430	10465	8669	1284	0	0	1684	0	587	1952	9013	27976	8376	33761	1432	7857	25212	15128	3247	6352	6806	4899	3179	9708	7563	41010	44726	0	15243	17172	19630	20480	19928	2893	2410	4302	46834	4341	19845	0	1710	37890	Phytochemical	0.54545456	0.95454544	0.045454547
10	C22 H21 O12 N1	492.11365	492.11447	0.11411546	492.1137	16482	12134	14730	14089	12795	5237	1271	5211	22155	32765	25159	6984	33929	4547	3546	5192	4132	18417	15484	21687	36111	41499	9065	5709	2434	5182	5133	5552	2832	2134	1727	3807	5757	2470	44637	1305	6072	3589	6676	27215	38973	8021	0	0	0	24243	51570	0	3814	2574	11529	15743	8728	0	18838	17595	8560	4558	6890	7437	0	18069	35840	24969	4475	25730	8718	10008	12272	5952	21049	4243	1312	2309	3355	2505	0	2716	10975	12483	7211	19772	2094	6897	22859	6726	5394	6857	6517	8638	0	5002	10318	37889	31070	0	13424	15015	16570	21556	16277	3451	3700	5609	29413	5881	12115	0	1456	29137	Phytochemical	0.54545456	0.95454544	0.045454547
18	C22 H21 O12 N1	492.11365	492.11435	0.06921551	492.11368	49749	39850	41884	39113	52990	29685	10687	14258	56617	96923	46383	10741	111366	17675	13481	14159	7625	77308	74856	78655	102281	111543	24155	15940	11975	23690	7003	20816	7418	6661	7152	5516	14633	7996	113718	5908	21266	12698	7543	68943	60587	20752	2040	0	0	111903	148341	377	12334	7100	36574	40140	38767	344	74551	51165	23946	16761	19884	12485	16304	62915	96089	62286	25318	60215	30519	10859	36934	31233	36464	8597	5743	6039	11084	5194	0	8181	24906	80269	20870	96494	9690	29511	66152	34731	27099	17196	20646	14146	13212	35536	27548	101574	141623	0	39950	35043	45299	45573	52160	18819	9338	17601	98210	15167	49764	0	12475	81823	Phytochemical	0.54545456	0.95454544	0.045454547
12	C22 H21 O12 N1	492.11365	492.11444	0.115182266	492.1137	23489	26829	18025	19038	28860	10503	7731	7022	34379	58820	49916	8046	47955	7406	6300	8363	10400	36040	36040	48531	78109	79027	13672	14573	4138	9778	5212	19592	3775	6452	5936	8225	10229	5739	105191	3880	9711	9562	11131	45571	79574	10480	0	0	0	52847	112039	0	4314	6632	22595	26521	17237	0	43850	30230	13201	11010	5748	16071	0	38771	67184	36879	9869	33382	16020	9417	50401	20524	39067	4305	5331	3112	4507	5171	0	9089	16625	37830	13342	46956	4360	16099	38169	15787	15749	12553	10499	22253	4577	12700	16971	86737	63237	0	21946	24269	34565	32178	36175	8110	7577	7571	65898	15076	26690	0	8753	60296	Phytochemical	0.54545456	0.95454544	0.045454547
20	C22 H21 O12 N1	492.11365	492.11432	0.052820213	492.11368	22362	21194	25881	16667	33278	21260	3715	5998	33385	54736	16632	9039	78474	15776	11099	8874	2193	46462	40752	47806	48752	70154	18391	8674	7769	12861	5033	9503	6754	2874	3106	3008	8260	4007	62330	4456	10215	7522	4042	33135	29946	10064	1291	0	377	76549	100651	1080	0	4880	25394	24732	21085	570	42230	31685	15047	7799	8536	6964	6592	38550	64337	44973	12857	36046	16927	6498	18866	21059	11773	5054	3484	1825	3900	3463	325	6934	24218	42805	11970	62078	5983	19886	47406	21803	13669	13077	11475	6724	6477	9907	13512	69004	97353	0	25897	34289	33472	37014	30511	7184	5133	7809	78569	6379	29520	0	5535	67483	Phytochemical	0.54545456	0.95454544	0.045454547
8	C21 H21 O11 N3	492.12488	492.1258	0.18480618	492.12497	4878	5801	5904	6781	5572	2358	1604	2236	9143	4777	6143	5549	10486	0	1756	3329	5034	7447	7073	5269	5963	12997	3517	3247	753	716	1370	0	2243	3397	2423	2727	3985	2486	9720	2860	3646	2785	4130	7218	13636	4235	0	0	0	8783	22411	0	2991	3183	8099	5708	3635	0	10805	5483	3653	4192	2876	4202	0	3805	22741	8591	3894	10107	4832	6694	0	0	0	1892	2213	1044	3921	2147	0	2899	4743	0	3798	6928	857	1057	8147	0	2970	4006	3907	7731	0	0	6935	6688	5315	0	3817	5834	6720	11565	9067	4611	2854	2940	0	4081	5303	0	2416	11549	Peptide	0.52380955	1.0	0.14285715
10	C21 H21 O11 N3	492.12488	492.1257	0.18157591	492.12497	57540	49704	46593	57561	78630	38049	16581	31056	102819	49887	45021	42129	209088	25263	41208	35049	54903	105081	116640	31149	86436	109074	69153	49746	11667	10431	19158	0	21696	25887	25443	11856	43647	24054	112872	24282	39975	41961	49425	56301	86226	61326	0	0	0	64104	185442	0	27729	30339	64305	75597	52686	0	164406	102195	42075	35655	26856	44394	33162	46602	167511	126786	44373	115746	51720	47343	0	11454	39438	26415	26337	21033	36675	21927	0	27963	61431	53697	47814	62781	13296	16947	133467	44472	38502	44766	41199	69429	21933	24570	78858	112932	71322	0	49113	77271	81333	120087	129726	54492	27903	23010	52539	37695	96269	0	28578	161769	Peptide	0.52380955	1.0	0.14285715
12	C21 H21 O11 N3	492.12488	492.1257	0.12955357	492.12494	8541	6533	9405	9868	7538	4516	3370	7990	8339	9683	6837	6534	16854	2471	5350	5471	6092	12225	11741	5717	14358	23344	8842	4801	3447	0	0	0	4276	3369	6066	0	9685	5952	14617	3739	6873	7054	6999	10321	20727	4362	0	0	0	14033	33068	0	4214	2337	6429	8712	8798	0	17139	6716	3773	8503	0	0	0	11470	19964	11366	4555	11639	7981	7533	0	4324	3760	5953	4116	0	5335	2387	0	5031	9670	0	6183	12910	3604	2749	14097	6104	8286	8608	5742	14055	5462	10833	10262	10452	6857	0	11594	9861	6535	10511	9999	6080	7219	4497	24528	7159	7803	0	4834	17007	Peptide	0.52380955	1.0	0.14285715
28	C19 H25 O14 N1	492.1348	492.13547	0.15368676	492.13486	1256	0	0	1123	1055	1320	0	0	1985	0	2038	1208	2335	0	0	0	0	0	0	0	4024	1733	0	0	0	0	0	0	0	0	0	0	0	0	3026	0	0	0	0	1729	2124	0	0	0	0	10205	25031	0	1113	0	1013	0	2103	0	0	0	0	0	0	0	0	4502	0	1709	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10264	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1045	0	1501	935	0	0	0	0	18558	0	0	0	0	2398	Phytochemical	0.7368421	1.3157895	0.05263158
22	C23 H25 O11 N1	492.15002	492.1507	0.06621801	492.15005	29329	25684	24812	29014	31548	20430	8410	6866	34856	90735	27831	9276	49784	12769	12540	14081	2765	49845	37052	52375	70943	43285	17989	17538	11089	37418	5049	21463	10102	6681	6656	0	11684	7507	87683	7070	14248	11632	4474	47244	33571	9310	0	0	0	81162	73756	0	8735	9320	29487	23575	22179	0	41321	25706	15122	14507	14071	4000	10088	38804	49533	35819	14049	37351	16000	2990	38699	61389	41000	7360	7975	4399	3753	4795	0	6755	20824	24888	12066	57156	5889	28107	34270	20635	13818	11264	12241	6263	14519	15935	12889	43449	73855	0	23850	26821	29967	25747	26547	8955	7026	12142	59319	11054	31674	0	8737	52211	Phytochemical	0.47826087	1.0869565	0.04347826
6	C23 H25 O11 N1	492.15002	492.15094	0.085605815	492.1501	7508	5536	5022	5690	4739	3816	2617	4319	7856	17079	10088	2526	11814	1468	2405	4378	3319	6795	5249	9585	18100	14553	3437	4729	1880	2462	1424	3066	1968	2624	1638	2038	4649	2328	24388	1530	5105	1645	4185	4708	14552	1806	0	0	0	9000	17107	0	2884	2427	5771	5702	4267	0	5880	6431	2260	3592	2276	3242	5836	4625	12263	6599	1517	5663	4135	4247	4286	5975	9285	2756	2735	2089	0	3576	0	2506	3579	9358	3327	5329	1850	3249	6953	5119	5943	2148	2160	7543	3010	5597	5977	13727	11280	0	6211	5372	5032	7553	6755	2561	2312	4317	0	1578	5972	0	2160	10378	Phytochemical	0.47826087	1.0869565	0.04347826
24	C23 H25 O11 N1	492.15002	492.1507	0.10451817	492.1501	14130	11822	12067	12731	18476	10407	2138	4044	18185	30656	12036	3205	30596	12877	4482	3384	1299	23082	15047	29076	29736	21058	5124	6537	1604	13236	0	8017	3080	2271	1508	2299	2908	3153	37460	2593	3136	4175	1376	12675	15996	4264	0	0	0	32932	40011	0	2539	2765	9117	9310	10324	0	19283	12417	6275	4634	5475	1782	4332	14917	23626	11948	11930	12902	5101	2273	20843	25960	22661	2978	3767	0	2018	1313	0	5112	9220	12332	6981	26444	1726	12469	17159	9785	7307	4678	5656	2303	5663	4925	6997	19456	27158	0	8979	10100	12523	9819	12159	3729	3804	3388	27579	5287	9904	0	3550	27702	Phytochemical	0.47826087	1.0869565	0.04347826
10	C23 H25 O11 N1	492.15002	492.15085	0.09779279	492.1501	31921	41424	30365	30254	22553	13228	16916	24902	27310	100583	61199	18206	47446	10750	17064	24094	16179	33592	34469	78083	83491	72449	22964	27588	8799	32986	13456	28516	22401	16763	19393	18319	20121	15052	121944	21216	24640	19118	26361	66926	70432	11853	0	0	0	60161	85819	0	24859	19871	38576	38158	17174	0	36683	25139	10595	25846	21262	21996	20283	40941	44693	30920	9428	33440	17594	17170	46395	42312	58787	24204	17966	16147	18739	19209	0	16550	22101	30646	21151	42102	16236	30630	27928	14171	23649	15203	15339	26649	15907	29415	36187	55861	67778	0	40880	37948	25210	23925	23835	29461	15405	29516	45828	18034	19160	0	18674	45280	Phytochemical	0.47826087	1.0869565	0.04347826
20	C23 H25 O11 N1	492.15002	492.1507	0.031688705	492.15005	57879	57392	59229	48681	70536	50320	17558	25380	66528	187431	69044	15741	117861	32124	34434	29172	16087	89391	80246	136926	158177	110119	33757	37294	33860	78567	15456	47184	25966	20474	21954	17641	33449	22129	198683	20716	35533	25705	18641	114678	62370	28333	2576	0	0	167716	144487	531	21715	23400	55089	59779	41399	382	83846	55710	28100	25905	34183	14355	34896	83456	107459	66455	31318	72015	34175	12817	73163	94410	84330	23141	21165	18097	13976	17255	476	20482	37161	64653	28820	92914	22669	88261	65548	40256	32761	26585	29691	17171	43905	54055	52737	92840	113139	0	61180	70851	50046	47067	58031	31464	20801	37575	120650	25489	53870	0	23129	107368	Phytochemical	0.47826087	1.0869565	0.04347826
12	C23 H25 O11 N1	492.15002	492.15082	0.07751462	492.1501	61276	66231	65063	59785	39946	29190	23735	47709	55529	168752	93539	25213	69221	20727	30846	41717	39559	61914	69135	138560	161538	149643	38736	45848	25074	57640	19528	55539	38706	33117	36602	36655	47557	32306	244874	36398	43637	33033	36560	126665	142115	31147	885	0	0	116650	160079	0	37848	37974	61412	63546	34072	0	72341	39465	25245	44952	41732	45890	51012	100834	86077	51552	20098	53998	29841	42780	87668	97223	100183	34083	35255	35241	23510	28197	0	27994	42847	64985	33294	86349	34763	64314	46606	29949	35945	23533	26803	62644	39106	55112	56255	102358	92973	0	68567	73348	52073	39510	34757	51564	29705	45302	75623	45301	34033	0	30892	81459	Phytochemical	0.47826087	1.0869565	0.04347826
26	C23 H25 O11 N1	492.15002	492.15063	0.057078592	492.15005	5468	5732	5754	3009	5704	6328	2140	0	8111	26803	5913	0	16842	2982	0	0	0	17381	8229	15799	18949	11918	0	0	0	8154	0	2811	0	0	0	0	3160	0	23955	0	2376	3219	0	9941	8632	0	0	0	0	17850	23508	0	2257	0	6167	5634	4049	0	9714	8077	0	2514	2719	0	0	8684	14080	5586	2641	8671	2202	0	10629	18712	15819	0	0	0	0	0	0	0	2727	0	3593	14198	0	4431	7098	0	3684	2943	2402	0	2521	3750	5051	9001	20281	0	7877	7757	5535	4950	7260	0	0	0	14876	1413	6035	0	2497	16484	Phytochemical	0.47826087	1.0869565	0.04347826
16	C22 H25 O10 N3	492.1613	492.16168	0.055994537	492.1613	17384	18747	21108	14847	7392	16424	16243	20633	15369	11719	6016	15980	18555	5260	21528	23665	18941	14214	20530	14275	11686	28306	19667	25130	0	3263	14313	6417	19066	16566	39498	24078	19192	17658	15733	14172	24134	18008	20330	21960	13414	10293	391	0	0	17196	15694	0	25863	13341	17975	21686	12560	0	17571	9663	14408	0	17220	12219	25662	13234	16945	16434	16108	12688	12293	0	0	9260	0	21088	12225	16417	17432	19225	0	27912	22143	8730	14736	17138	14480	9184	8839	10610	21970	13185	13864	42250	21631	25866	40515	8829	15424	0	18138	39476	10276	4391	8979	23104	14950	18509	37330	26154	9057	0	0	13657	Peptide	0.45454547	1.1363636	0.13636364
8	C22 H25 O10 N3	492.1613	492.1621	0.057843875	492.1613	43835	38085	29341	35447	16351	15471	23563	36825	20899	36770	20964	25823	32782	5928	25538	36768	30045	26762	31643	32757	42782	57970	31126	46564	14262	4773	18699	12521	31583	28583	27294	32226	36574	31361	49258	31815	33853	23099	42617	36162	56719	18243	0	0	0	49599	60189	0	35122	30957	35224	32700	15878	0	26360	18277	13757	33913	31819	33606	43829	33829	30906	25024	13309	24833	20003	41440	8821	15042	17064	33573	29680	27175	23751	28900	0	21798	32920	15602	26374	23564	20071	22295	20654	13146	27843	21681	24477	59586	23738	38978	53757	34462	39734	0	41605	30642	16589	21089	19061	31640	21799	48142	29293	37111	16610	0	21630	37608	Peptide	0.45454547	1.1363636	0.13636364
6	C22 H25 O10 N3	492.1613	492.16214	0.039557733	492.1613	18659	17486	17248	20034	9862	5658	8646	20752	11853	22493	11201	12714	16730	3514	12329	19579	19303	13606	19333	16468	23739	29735	14771	25933	6319	1733	8074	6367	13247	12424	15920	18910	20492	14795	22268	14649	16398	12722	20147	14118	30262	9351	0	0	0	16915	34043	0	15394	14155	20570	15353	10069	0	16511	9215	6672	19828	14395	19700	18209	13936	17415	13323	8614	13489	13049	24922	5414	8656	9236	12833	12964	13478	7898	14377	0	10566	16942	11044	12132	12098	9458	7218	13351	7163	17412	10589	8832	35748	10096	15508	32790	18073	20502	0	18439	20721	6234	12432	11945	22660	12145	19872	14428	18313	8037	0	12448	19686	Peptide	0.45454547	1.1363636	0.13636364
14	C22 H25 O10 N3	492.1613	492.16187	0.03670024	492.1613	30786	39230	26732	28597	19479	13450	34115	34266	23860	26119	18066	22651	29070	8602	33888	41838	38754	28735	32713	28270	19931	69836	32169	42350	29839	4038	21552	14210	31356	24720	25958	30621	44260	29961	31900	29030	37424	30907	30876	31273	45567	18148	0	0	0	38138	34087	0	27254	36193	32113	30712	18997	0	29816	15112	14914	39387	46078	24497	36548	24359	31068	20708	12840	27071	19667	35557	0	12500	10803	0	23833	19371	27333	31166	0	32052	35122	19957	29822	24417	28378	14969	21356	15551	34183	25618	24007	60612	38430	41362	0	27071	24948	0	37077	34344	13092	12931	16308	38541	24555	0	28433	0	14659	0	21456	34538	Peptide	0.45454547	1.1363636	0.13636364
12	C22 H25 O10 N3	492.1613	492.16214	0.0785822	492.16132	41247	0	43971	45901	23218	21329	36387	53691	28389	36247	21741	34651	34698	11137	43557	48796	45203	36786	45051	40742	40496	73444	0	62705	37958	6404	24992	10659	45993	33797	49500	39855	0	38954	52523	36921	44019	38640	54903	56984	51119	24543	0	0	0	60737	44595	0	46430	38378	46226	40639	24769	0	41563	20278	0	59196	51590	52559	57542	45317	39755	29748	14248	32996	26855	52347	0	21761	18688	40505	38008	34112	28123	32526	0	39511	48076	18087	38919	33811	36880	24898	25510	19760	45326	27213	26672	94043	35736	56926	83583	38891	33728	0	49664	0	19775	21340	22224	0	29844	52254	31089	47296	21012	0	38668	43939	Peptide	0.45454547	1.1363636	0.13636364
24	C27 H25 O8 N1	492.16528	492.16565	-0.08391806	492.16525	2380	2469	2252	1231	1231	0	0	0	0	8128	7928	0	0	1439	0	0	0	0	2328	4806	4466	2014	0	0	0	13158	0	6047	0	0	0	0	0	0	6086	0	1791	742	1322	4755	12309	0	0	0	0	4618	10193	0	0	1373	1105	2704	0	0	0	0	0	0	0	1284	0	3542	1311	1624	0	0	0	0	14935	9571	24167	1388	0	0	0	0	0	0	0	5516	883	5176	1081	7276	1591	0	0	1471	975	0	1385	0	0	7657	5390	0	0	1893	1574	0	0	0	0	0	4630	0	0	0	0	0	Phytochemical	0.2962963	0.9259259	0.037037037
22	C27 H25 O8 N1	492.16528	492.16602	-0.01825384	492.16528	3254	3878	2471	3205	3248	3794	0	0	1946	9536	16939	0	2442	0	0	0	0	0	2161	8965	10819	4094	1188	1690	0	27050	1150	14406	1401	1059	1608	0	0	0	14699	0	1760	0	1149	8556	14584	2403	0	0	0	7875	11657	0	0	1220	2752	0	0	0	2003	0	0	1515	1691	0	1754	5564	2003	2986	0	0	2019	0	24885	26408	45493	0	1469	0	0	0	0	0	1809	8465	0	5662	0	6191	2095	0	0	2640	0	3284	2637	0	0	8087	4292	0	2507	2688	1928	2415	0	0	0	2098	5377	2110	2202	0	0	4312	Phytochemical	0.2962963	0.9259259	0.037037037
20	C27 H25 O8 N1	492.16528	492.16586	-0.16523036	492.16522	2327	5412	3161	2823	2315	2564	0	3114	1847	14562	20661	0	0	2317	1389	0	0	1969	0	10288	14911	2343	1605	0	1978	24206	0	12569	0	0	0	0	0	0	9605	1305	1655	1237	0	8230	13939	0	0	0	0	5787	8046	0	0	0	4341	3606	1082	0	1728	1307	2202	0	1151	1666	3069	3692	0	0	0	2482	2744	2326	30283	29290	38014	0	0	0	0	0	0	0	1683	4515	0	3085	1261	9992	1869	1644	1919	2067	0	0	5197	0	0	6710	5651	0	3289	5966	2468	2901	1540	0	1471	1413	2939	4658	2184	0	1625	2277	Phytochemical	0.2962963	0.9259259	0.037037037
20	C24 H29 O10 N1	492.18643	492.18707	0.034410477	492.18643	129918	118771	132315	100575	119978	94819	49501	104492	123553	356906	150816	55358	185325	68272	81550	105714	53290	167512	181939	315684	312462	179639	95976	126765	86376	235821	47504	123865	98383	84515	77669	73524	102457	83200	394225	81442	114294	59270	54057	236486	125650	69506	4131	0	0	218066	164786	893	95119	79157	130617	134703	84520	472	139134	102981	57023	97404	97787	41476	109762	145084	159671	105704	55812	120961	82326	50451	186651	318639	238855	98297	89172	79869	65588	76909	428	68939	91609	96790	74293	118145	67768	155249	127645	77807	71746	70487	72301	55986	115411	130676	150905	120674	183089	0	123721	141172	96458	81364	101532	102726	50544	106287	132747	100033	103370	673	65404	167330	Phytochemical	0.41666666	1.2083334	0.041666668
12	C24 H29 O10 N1	492.18643	492.1872	0.031332213	492.18643	67821	61852	65118	64722	34415	30881	41465	68715	43877	146146	64451	35041	50796	21497	46964	56837	52948	48984	69633	139824	137357	112441	46551	59123	46497	69465	36832	67293	54850	48740	54871	45840	61481	45131	205450	48570	53579	42863	49843	123289	126397	35435	755	0	0	93458	96398	0	55236	59167	58071	65318	30820	0	60939	27918	20888	65392	50834	48997	45148	79819	54301	43333	19695	46211	35788	55096	76258	104082	92656	43755	47613	53710	34439	45540	0	39944	50057	50345	39332	53820	96560	69195	37964	27640	44743	23491	28964	83997	54404	67964	69280	62405	69437	0	72318	76160	26059	28106	29732	61466	38379	75934	63032	45860	29560	0	38667	55213	Phytochemical	0.41666666	1.2083334	0.041666668
28	C24 H29 O10 N1	492.18643	492.18707	0.06050124	492.18646	4507	4743	5460	6340	4823	4497	1531	3026	5130	17679	5322	1502	10307	3648	2891	5321	4047	9644	6800	13495	17988	7263	4434	4599	2473	17328	1855	5619	2733	2791	2701	2378	2698	2380	18154	2793	3810	1297	1405	7617	6370	2833	0	0	0	8920	8628	0	3087	0	5547	5057	3682	0	6366	4143	1707	2936	2372	1119	3565	4912	10649	4559	1467	6162	3225	2869	13057	28069	22450	3361	2451	0	2259	2570	0	2062	4449	3326	3216	5786	1602	6483	4004	2032	3893	2408	2483	2510	3430	5283	5033	3765	11420	0	6631	8102	2719	2147	4849	2912	1676	3588	4884	4107	3573	0	2192	8574	Phytochemical	0.41666666	1.2083334	0.041666668
6	C24 H29 O10 N1	492.18643	492.1873	0.07734108	492.18646	9167	11138	9320	7800	5165	3940	4070	9933	8262	23524	10636	4153	9090	2172	5405	6500	3885	7050	9635	20696	23301	16901	5644	9545	2777	0	3958	6005	6021	5256	6340	9694	7389	4046	31835	7254	7490	4603	6045	12623	13284	3410	0	0	0	13207	17573	0	9198	5790	10408	7886	4865	0	9731	5051	3363	7284	2978	5967	10871	10117	8456	8386	2661	8968	5767	6940	8719	10175	10689	7006	7191	4871	4396	5186	0	4229	6177	3512	4550	8094	4098	7800	5552	4058	6937	3452	5830	11039	5388	7190	7721	11055	15976	0	10402	8951	4673	5691	6602	7414	3745	8497	0	7055	3728	0	4637	8728	Phytochemical	0.41666666	1.2083334	0.041666668
10	C24 H29 O10 N1	492.18643	492.1872	0.014348704	492.18643	43511	68252	34916	37773	19380	19282	19230	63456	24682	102829	47639	18942	38190	13498	23099	30809	23053	30140	32839	86577	83188	71971	24104	34081	20795	41653	16380	34857	59060	29783	58906	30356	33056	25797	256614	64998	35667	18844	24014	139978	55546	16766	0	0	0	54099	46871	0	29008	31225	38414	43018	18444	0	36082	19593	11157	36999	30431	27227	41496	43733	35542	27081	11266	29300	19772	26901	42226	52272	52219	61596	24356	30428	21166	24202	0	17653	30221	24561	24932	58562	24351	31395	23602	15751	31041	14358	18475	31362	33174	36860	46075	45380	63031	0	42643	74744	16817	18711	20101	34964	17698	39779	34319	30572	15597	0	42966	34976	Phytochemical	0.41666666	1.2083334	0.041666668
16	C24 H29 O10 N1	492.18643	492.18713	0.06660232	492.18646	159183	152698	148372	147299	108762	96725	79948	154815	115758	360129	162385	78006	150462	72172	118560	138242	96602	148969	171984	377313	332975	216429	120675	161033	117683	230089	70826	154337	136606	130936	129462	139380	163517	116491	465136	140761	150142	89318	87780	267241	181051	88908	3139	422	0	215963	170135	0	148179	137966	155475	160084	90858	456	135788	91255	57992	144905	135077	81763	160524	175180	127731	101167	54978	124842	89695	100597	190802	316756	244238	135930	119572	124297	102309	122847	0	94461	116207	143174	88849	136960	114771	168071	116450	69310	101910	84302	88427	116949	131812	170329	247938	131942	222737	908	150433	171619	81136	78180	87257	140316	81540	174050	125919	141735	84316	0	94142	150631	Phytochemical	0.41666666	1.2083334	0.041666668
8	C24 H29 O10 N1	492.18643	492.1873	0.052408785	492.18646	46912	22698	20349	22074	11956	8316	9775	18905	16259	68909	27573	9407	24659	6712	12046	20608	8501	14804	19892	97114	105284	47031	12679	24572	10032	16305	7711	12732	14503	12607	12942	17268	18000	11767	78669	14328	16866	8706	27490	38122	34647	8440	0	0	0	37032	33644	0	18370	12692	19520	18796	10253	0	20160	9133	7523	18851	11644	14411	21048	24580	18273	16374	6995	16078	12243	17771	19883	28997	25203	16365	12965	14010	7272	12421	0	10021	15064	14349	12464	29424	13487	20068	11041	8079	14247	8310	9456	23122	15955	27569	50004	25385	36951	0	22189	22192	9272	11351	8772	16704	8984	28751	11349	12160	10133	0	11601	16838	Phytochemical	0.41666666	1.2083334	0.041666668
26	C24 H29 O10 N1	492.18643	492.187	0.001145134	492.18643	10704	10953	10895	10953	10838	7969	0	6290	10286	39769	10645	0	22216	4580	0	5970	0	20924	16132	26664	27629	11736	6969	7425	0	24925	0	7056	0	0	4917	4036	5355	4544	31935	0	6108	2972	3644	20454	15898	0	0	0	0	24186	17351	0	6109	0	12052	9657	8889	0	15858	14481	4223	4857	2577	0	8223	13450	20894	10254	3768	12669	4421	2771	25490	42167	32541	7433	6718	0	0	2855	0	3282	6136	9005	7228	10420	0	9828	13994	0	6311	4225	2819	4459	7063	5751	9284	7684	13635	0	10413	13823	8227	7869	6091	5031	4328	6799	8477	5122	7671	0	0	18413	Phytochemical	0.41666666	1.2083334	0.041666668
24	C24 H29 O10 N1	492.18643	492.187	0.011782255	492.18643	27592	24143	23410	20860	29297	20405	5009	13426	29879	65626	25181	9755	52425	13292	10340	11611	7264	38100	34118	57059	60171	27239	21005	19826	13419	52268	4505	17336	12077	11265	9251	12315	13618	14685	66819	8712	18787	8327	11705	36775	26680	9213	0	0	0	44014	45228	0	8262	12811	22028	22841	18497	0	34763	20596	11751	17474	11248	5698	13475	31639	32054	26153	7876	32143	13047	5707	43359	63035	66566	15234	12961	8609	11665	7910	0	10551	19496	10293	14510	26575	8526	27383	33818	11686	16492	14611	13811	11052	12700	15550	22808	20258	36933	0	23806	18144	21306	21631	24851	15457	9095	16794	32733	11679	21138	0	12155	45208	Phytochemical	0.41666666	1.2083334	0.041666668
22	C24 H29 O10 N1	492.18643	492.18704	-0.001402344	492.18643	64799	61845	57769	64737	65351	49156	19810	47050	74134	171695	66706	23426	89302	40656	41731	41950	23773	93419	77380	148749	159439	79389	44630	56351	38603	123990	18341	62870	41881	37710	35078	31140	40596	35267	203058	41068	42393	30048	25971	94934	70752	29943	0	0	0	121628	108083	0	34115	34844	57551	57098	54205	402	73599	55645	32800	37001	35662	22779	44261	84131	88294	53107	31133	68628	38588	20281	110122	169205	137733	40342	33686	32269	23791	27308	282	30762	52227	42285	37849	65489	23931	62391	80416	41319	47703	29509	34389	29381	45388	60697	66411	53668	103151	0	51490	76338	58026	52798	48468	45120	24141	47541	69625	42908	53024	0	28675	109668	Phytochemical	0.41666666	1.2083334	0.041666668
12	C23 H29 O9 N3	492.19766	492.19836	0.031432968	492.19766	41942	51904	53612	56889	17898	22639	47426	0	27160	36698	20953	0	26125	9633	0	0	0	35331	45491	62492	39924	90276	54523	73122	61166	5848	41554	13073	62468	0	53692	58843	71829	56979	63164	53514	56596	49046	65459	0	44694	0	0	0	0	64052	33882	0	57346	51247	47404	50320	26480	0	36179	14378	0	63595	78349	46835	51500	37488	22499	22801	17003	36469	25699	80053	0	27730	15681	52931	49443	49170	37230	50705	0	47024	57930	29032	0	32493	48230	34056	17994	23220	57984	23731	32147	96383	63720	82004	116786	33343	35560	0	48334	57343	0	0	14942	0	40668	65332	37879	65304	17177	0	50352	28325	Peptide	0.39130434	1.2608696	0.13043478
18	C23 H29 O9 N3	492.19766	492.19827	0.07280273	492.1977	106701	105684	103871	104124	78885	74929	65889	117238	75454	261638	118457	62523	109286	44623	94243	86245	56344	98514	132530	243156	192341	113992	93628	94885	77103	163396	55868	109694	103073	84461	94654	76818	109372	88473	244990	82633	107065	77388	70164	165595	102737	54393	1723	0	0	129531	91700	0	94678	84091	116254	113617	67090	0	109090	71323	46210	94492	89075	51363	98777	99983	127288	79551	42128	99739	60818	74961	127344	216713	201618	100409	67060	79979	60756	91612	0	59391	103743	63365	93941	84972	81088	103375	81193	64402	97956	59693	57378	78616	105781	131503	142958	65869	88693	0	120434	95271	79076	62447	62297	86608	60383	105090	68819	88421	62749	0	75798	107184	Peptide	0.39130434	1.2608696	0.13043478
14	C23 H29 O9 N3	492.19766	492.19843	0.017980818	492.19766	49090	38605	43857	37237	17643	20802	47428	61390	22078	38349	17336	28851	21098	9612	45003	59211	41704	27418	34981	38836	30452	78639	46623	67419	57429	8306	25906	19469	56866	41013	45133	58840	57664	36087	36534	44966	58162	35808	38419	37748	29368	27934	0	0	0	46576	21750	0	47671	40789	36940	40425	25981	0	29476	17310	19185	0	86852	21469	45985	31390	20897	28724	16533	25308	29577	37392	0	19591	10428	45715	43578	44705	28600	35562	0	39245	37302	0	32976	21730	38556	27311	13977	17948	45759	26488	28533	70499	60999	75525	115238	33889	33916	0	46652	44686	11485	14603	13879	55405	30428	65296	28945	61066	14535	0	52771	28145	Peptide	0.39130434	1.2608696	0.13043478
16	C23 H29 O9 N3	492.19766	492.19833	0.044309404	492.1977	26000	25397	28008	22354	14549	18038	32307	35744	14703	15166	8961	16667	13822	9469	35449	26401	16769	37832	26977	20562	15840	37341	29421	40994	34324	0	18965	7262	35451	26391	31763	32227	39921	25278	14337	23428	36460	26193	26789	21772	13331	14883	0	0	0	21071	9807	0	32002	23069	19271	24373	17049	0	22538	7576	22568	40555	33750	16014	33608	12924	15287	11555	10427	20423	19683	16902	0	6561	0	30082	20161	24027	16360	20453	0	18725	30836	14666	20167	17624	25828	11169	15988	12188	30565	17531	15246	0	47313	47114	85974	13341	22053	0	25008	28618	18848	10143	10233	32885	14441	28452	31508	44099	12464	0	30028	17812	Peptide	0.39130434	1.2608696	0.13043478
10	C23 H29 O9 N3	492.19766	492.19843	0.026071982	492.19766	56868	49752	49138	51051	21292	21764	41713	62023	20272	49598	23964	34757	27324	12548	47006	53086	46439	29525	39645	56177	44362	85258	45349	74630	43514	7797	35950	23495	50768	0	47809	53222	62682	40733	58749	52487	67056	40389	51807	54325	39064	22872	0	0	0	54450	46851	0	60020	43168	48570	48693	21919	0	36203	16525	19891	66164	49976	37594	58877	32677	25395	24836	15584	27361	26396	60229	13036	20353	17685	49412	44253	48386	39341	0	0	36849	49284	25140	38243	38793	45259	29182	15684	18803	45551	26228	25754	73913	70232	68819	118601	38630	51792	0	45632	50742	13793	18377	18361	57262	33335	72883	36889	66241	15290	0	47500	24221	Peptide	0.39130434	1.2608696	0.13043478
8	C23 H29 O9 N3	492.19766	492.19852	0.035208505	492.19766	36566	41109	33365	40981	13396	15403	23613	46072	15720	36816	17753	26202	21090	6285	32403	42143	31610	21769	28585	42174	31514	62608	33606	61985	29290	5401	24167	15913	38851	32724	33235	39883	42445	31217	49759	36256	42429	25812	41069	41966	35973	18155	0	0	0	53370	39146	0	45065	34066	39439	37426	17240	0	20775	18924	13392	46061	29717	27317	45786	27476	21164	22006	12561	22981	19360	43490	6474	18509	15857	38914	35519	33750	31436	34272	0	26597	39498	20604	29668	22545	27246	24090	12922	12372	34146	22723	23041	62778	40251	55443	75835	31150	38958	0	36248	36606	10745	23676	21952	41349	22482	63067	22254	41864	16426	0	29193	25653	Peptide	0.39130434	1.2608696	0.13043478
6	C23 H29 O9 N3	492.19766	492.19855	0.037857287	492.19766	23804	23505	20583	20394	8166	8536	15075	26497	11404	23049	9498	13655	19493	3402	19574	28615	21859	13358	17647	18599	22419	28147	17889	38178	15921	3044	14982	8705	23132	19782	22871	25274	29293	20631	25337	20125	22752	15824	29264	18812	21984	9034	0	0	0	26070	26001	0	33941	22190	23634	22029	11224	0	19074	11853	7715	30260	14576	17207	28189	15961	12704	9959	6949	15027	15835	30051	5199	9377	7218	21143	17687	18922	9525	18015	0	13357	18148	10687	16123	11699	12821	11111	8848	8339	23916	12061	11811	36856	21948	31106	50894	18457	24130	0	22636	21313	7337	13180	16794	24214	13229	32845	10578	25206	8290	0	17650	18270	Peptide	0.39130434	1.2608696	0.13043478
20	C28 H29 O7 N1	492.2017	492.2023	-0.037569202	492.20166	3443	1719	1964	1461	1503	1336	0	0	0	2130	10290	0	0	2224	0	0	0	0	3171	5597	8478	2534	1737	2187	0	23074	0	11535	0	2027	0	2474	0	0	5753	0	0	1441	0	7141	11529	1218	0	0	0	1814	4703	0	1545	0	2203	1832	0	0	0	0	0	2024	1189	1523	0	4181	0	0	0	1761	1589	0	18257	19449	27472	1798	0	0	2284	0	0	0	2519	0	1249	2881	0	0	1516	0	2695	2345	1131	3997	3381	4239	7977	0	5757	0	2341	4251	0	0	1533	1695	985	2590	2094	3563	0	0	0	0	Phytochemical	0.25	1.0357143	0.035714287
14	C21 H33 O12 N1	492.20755	492.20822	-0.10581851	492.2075	53284	34914	50872	33968	38250	36356	46822	86740	62026	52590	28366	30882	84362	20124	103028	59742	47496	69130	62444	87788	74828	66624	68344	83454	79244	26508	32096	22764	88086	72734	56706	59904	79430	48590	81602	76712	55480	59942	30030	77208	22640	44376	0	0	0	67634	24020	0	59318	52284	46932	44364	30800	0	125660	57234	30742	55600	92308	14432	57818	39280	66746	60692	36608	56714	49442	25406	0	32604	27018	50922	48288	92756	41978	55030	0	49276	50280	31994	65714	29998	54124	26496	53795	40976	52396	25052	34098	32940	40240	51826	106042	27684	43352	0	44746	69020	41142	36564	49764	87526	38888	61780	32044	46056	39018	0	39180	71686	Lipid	0.5714286	1.5714285	0.04761905
16	C21 H33 O12 N1	492.20755	492.2082	-0.11559535	492.2075	39441	34961	39281	42197	26665	36273	37792	59418	56984	59425	28194	26983	84113	13610	70013	38974	13177	63835	68962	84523	46989	51381	64912	54154	62733	12872	17127	15646	71037	45221	56404	40576	68633	34679	77427	58377	55957	48112	14150	32174	13799	35842	951	0	0	51753	24031	0	49462	47317	45587	37430	34939	429	116201	38509	27325	41849	60162	11012	46735	29099	58235	47617	18554	40525	32951	16807	17843	37050	25405	47272	45256	63115	16223	34074	0	43651	38622	24561	32632	29012	30150	18283	38539	32979	32733	21041	26663	0	39907	57853	79842	22828	31195	0	48836	58934	31776	29356	37047	44310	28534	46568	28710	43530	35757	0	30978	64254	Lipid	0.5714286	1.5714285	0.04761905
6	C22 H29 O8 N5	492.2089	492.20944	-0.0340387	492.20886	0	3049	3052	2759	1188	1870	2199	3066	1977	3074	1095	2463	2046	942	3463	3231	3215	3063	2294	0	0	6060	2988	5777	2629	0	2442	0	3372	4410	2868	5378	5632	3665	2946	3960	4464	3995	4612	0	0	1219	0	0	0	0	0	0	0	3664	2923	4163	1401	0	2857	848	1317	5132	2819	1625	0	0	1332	1593	826	1669	0	3712	0	0	0	2840	2422	4173	1399	3455	0	2298	3635	46181	2020	1524	1435	0	1817	2118	3714	1750	3118	4414	25259	12244	9197	2606	2650	0	0	4011	1080	2256	0	4029	1991	3336	0	3971	0	0	2759	3581	Peptide	0.36363637	1.3181819	0.22727273
26	C25 H33 O9 N1	492.2228	492.22345	0.017481146	492.2228	19029	14835	19443	15328	26932	11833	3921	17763	19912	41371	20064	7855	36501	12160	11956	23090	0	29222	25937	43674	46412	15894	16680	17491	7142	53876	3690	13807	11833	7718	11096	10855	12917	16623	47825	12220	15885	6738	11069	30027	24130	8137	0	0	0	25629	24360	0	12055	12277	17340	18726	15138	0	18176	16145	7626	9466	7307	7723	16059	16176	28265	18759	6077	25777	8210	7901	48394	69444	74909	17891	13685	8870	8483	9132	0	6281	17170	4875	11708	10189	7283	16396	22840	7496	12569	13398	9884	9183	12745	11185	23202	7934	19214	0	15001	20005	12316	20022	14697	11219	6451	11991	13006	12425	14704	0	7461	24348	Lipid	0.36	1.32	0.04
20	C25 H33 O9 N1	492.2228	492.22342	0.058208656	492.22284	204668	203755	211195	187050	164126	137819	122719	239096	174251	355911	202005	165466	237011	110314	168254	214973	117407	219706	273288	470864	427003	211889	181621	239131	156897	463544	172257	189044	225843	242928	200446	185888	206766	213350	399774	183358	215107	113267	121061	301569	212193	139842	5381	863	0	244114	182873	507	238105	218529	211149	214669	137163	849	182595	146852	90042	208338	163223	99721	211069	187768	181739	154054	94297	176173	123920	112626	351981	514645	429785	217378	200422	211289	155698	198383	0	149672	167170	123529	131371	123731	134144	202927	172544	112802	165623	131849	132105	156344	230337	221991	279100	126373	184228	1297	210029	220720	136040	110224	141495	197393	143031	240491	152667	207682	148254	683	134891	228731	Lipid	0.36	1.32	0.04
24	C25 H33 O9 N1	492.2228	492.22348	-9.92533E-4	492.2228	55463	55682	56026	53636	69494	46126	17963	42796	59370	145051	57849	24732	94904	35074	34669	49211	21188	89961	90286	143931	124276	60004	41502	55573	32502	127938	12076	64019	34971	31806	0	41182	50102	48543	156514	39473	60156	27826	25921	89809	49958	31240	2333	0	0	77936	64120	0	0	37918	0	47274	46594	0	75435	50773	24466	49761	35238	19793	0	59409	71452	0	24615	60171	31565	22536	116849	191612	156575	47196	36144	31208	27357	0	0	28372	51534	23873	43808	39550	27628	51827	63943	36415	43972	30491	36450	40546	48138	53461	0	34229	60250	0	59272	61722	40288	42114	42754	43979	23215	46291	43278	37470	42963	0	29819	85929	Lipid	0.36	1.32	0.04
22	C25 H33 O9 N1	492.2228	492.22336	0.026298719	492.2228	137064	134154	140988	142989	133564	113804	54646	144590	133608	286035	149045	73667	162697	84832	106051	118819	73271	184119	170230	357169	329688	145227	123094	146588	102179	304756	43219	144482	122978	105113	106023	122982	129876	111537	342222	117066	147277	78581	69866	213535	142935	91521	5134	0	0	185680	137467	0	114554	106128	133879	142977	104368	596	152670	121662	68834	134695	110153	57374	145451	139618	156302	118277	56393	140927	98217	70169	0	426401	306735	137687	103042	106658	69651	96249	0	89725	112522	64432	85045	92973	83116	121597	138672	83853	103682	80624	92344	92310	138640	157504	172630	92067	164977	0	133809	149438	95604	97466	105510	132390	72874	138603	101310	115044	110191	0	77174	170092	Lipid	0.36	1.32	0.04
28	C25 H33 O9 N1	492.2228	492.22348	0.087411724	492.22284	8330	5777	5953	5421	7246	3526	2713	6767	8507	16585	6853	2551	15949	3254	2927	4981	2718	8257	11123	14560	17470	3902	4408	6939	2533	21927	1009	7498	3725	3479	3476	3264	3576	6031	21062	3229	5720	1819	4011	9432	6648	3908	0	0	0	5825	6390	0	6972	3510	8607	6442	5313	0	8059	6238	2468	5958	2277	1874	7973	3675	8320	5370	1170	9587	3511	3144	20048	33012	35942	4473	4227	2734	2554	3123	0	1755	7808	0	3943	3804	3261	5532	7529	3145	4741	4071	2949	4363	6550	7105	5472	2808	6704	0	5832	6057	3456	7571	7289	4822	3272	4577	2357	5715	3340	0	3718	8586	Lipid	0.36	1.32	0.04
16	C25 H33 O9 N1	492.2228	492.22348	-0.023694454	492.2228	111837	108521	110463	105513	64895	63901	68784	137986	73034	167178	85608	72368	90793	44955	109118	122598	108452	100403	113730	218768	213474	129699	107492	142318	97503	179495	74459	92337	120277	121041	103336	113069	120829	97977	174009	116419	110105	71947	111752	134321	116335	70525	2279	0	0	116557	105898	0	133871	116676	115213	107049	70830	305	93231	57236	45007	124587	91202	84063	137878	93831	80410	63273	38459	65909	72755	93645	155978	203465	197045	117995	106398	125518	112708	115981	0	80995	92475	81583	82819	77292	85960	92801	80370	52589	93611	68372	70293	153264	119454	125073	227559	66971	120427	462	106078	125049	56377	56482	64910	125217	70549	124849	60158	105181	58809	0	90592	80018	Lipid	0.36	1.32	0.04
14	C25 H33 O9 N1	492.2228	492.2235	-0.025988048	492.2228	67490	66496	59902	60754	35478	28874	45722	68243	30137	85552	52084	40663	35927	22487	53511	76622	57369	43992	48634	116867	110741	83442	50362	83458	47981	74407	36340	61974	63714	64424	60609	74744	71022	42989	103556	67255	57256	42746	54371	79899	70576	34951	0	0	0	63099	64501	0	59991	61183	59503	51769	26952	0	41858	26532	23460	72816	58611	49191	98672	55442	28780	35530	18680	36716	34133	58534	73511	90545	82434	55048	48072	59367	56760	58499	0	44066	51352	35478	46649	34004	43609	47878	31398	25813	58231	32499	38701	77520	67798	51757	102461	36001	64554	0	57280	72685	21664	24896	26467	78106	35645	88380	38178	48973	29328	0	49313	32184	Lipid	0.36	1.32	0.04
16	C23 H33 O5 N5 S1	492.2275	492.22827	0.42566904	492.22772	0	0	0	0	0	0	11879	20058	0	0	0	17845	0	0	5684	43436	7795	0	0	0	0	0	0	0	0	0	11176	5939	7270	23137	10760	0	4678	0	0	7055	6747	3689	5290	0	0	0	0	0	0	0	0	0	16255	45566	0	0	0	0	0	0	0	15355	0	0	22710	0	0	0	0	0	0	2943	0	0	0	0	0	28035	0	10930	0	15094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14619	8686	0	0	0	0	0	0	0	Peptide	0.2173913	1.4347826	0.2173913
2	C19 H33 O10 N5	492.23	492.23126	0.2964619	492.23016	0	0	0	928	0	0	0	0	0	0	1014	0	0	0	0	0	0	0	0	0	0	0	300	0	0	0	0	12539	0	0	0	567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	96770	0	0	0	0	0	262	0	0	0	0	8636	4157	0	6002	0	0	959	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5263158	1.7368422	0.2631579
10	C24 H33 O8 N3	492.23404	492.23483	0.13049503	492.2341	11645	11948	9290	8065	3782	6680	10000	16742	3989	11049	6437	8096	6429	5065	11329	13273	6835	4661	7399	9537	8400	20864	10944	18367	13281	1713	8390	5036	14564	9213	15257	12898	17797	9781	18404	12491	17522	10876	7648	17591	8965	5703	0	0	0	12771	8724	0	14547	12709	12005	11110	6371	0	7096	4865	4564	18531	2514	3578	12848	9518	2829	4750	2654	4865	4938	6756	0	6670	2628	16129	11164	10660	5115	8302	0	7207	9455	11091	7511	4437	7433	6800	2593	2316	8437	6159	5191	13609	20927	19848	30195	13466	15846	0	12918	11779	2309	3421	4268	14036	5992	10142	0	13990	4567	0	11156	5837	Lipid	0.33333334	1.375	0.125
8	C24 H33 O8 N3	492.23404	492.2349	0.117029	492.2341	9623	11357	8872	13238	4210	5247	7944	11309	5099	8603	2225	4998	2843	2016	10863	16432	7336	4738	7843	9041	8093	16947	9033	16203	13240	2146	8395	3758	12718	8425	10428	11576	16919	9776	14388	10507	14937	9382	9178	12478	6153	3843	0	0	0	15231	4248	0	13983	7876	10603	13013	4575	0	8415	11044	5803	12674	5203	2178	11909	6624	3924	3463	2468	5630	5610	8920	0	5227	3208	13038	7757	9928	6596	7306	0	6991	12082	4871	7458	3863	8171	7643	2446	3716	11267	5186	6743	17006	15372	19385	35990	6418	10758	0	10859	10955	2657	8262	7711	13715	6037	16243	0	14919	3105	0	7507	5950	Lipid	0.33333334	1.375	0.125
6	C23 H33 O7 N5	492.24527	492.24622	0.22502078	492.2454	0	1896	1561	2353	0	1336	1713	1533	0	0	0	0	636	512	1204	1467	1285	0	0	0	0	1426	843	1283	648	0	803	8206	1885	0	1488	1194	1335	0	904	0	2498	1347	0	0	0	0	0	0	0	0	0	0	0	1383	1831	1614	0	0	1085	0	656	976	0	0	1030	0	0	0	630	0	899	1355	0	0	0	0	0	1101	0	767	0	793	1249	64168	730	394	856	0	0	0	1027	0	518	3261	32659	7156	4173	2775	0	0	2000	1214	490	455	0	2471	686	0	0	1146	775	0	0	689	Peptide	0.3043478	1.4347826	0.2173913
8	C23 H33 O7 N5	492.24527	492.24573	0.2303331	492.2454	2034	2372	3050	4138	0	2290	2312	4311	1336	0	0	1484	0	0	4150	9144	0	0	0	3448	1954	3656	0	2602	4978	0	1934	4427	3736	3998	0	2224	4734	3308	3378	4521	3627	1106	3108	3848	0	0	0	0	0	0	0	0	4096	0	2040	2838	1154	0	0	0	1112	4978	0	0	10706	0	0	0	0	0	0	4762	0	0	0	3334	5596	4044	3070	0	0	1660	2600	59500	1126	0	2100	0	0	0	1515	1980	1800	1538	26917	0	9958	2040	6138	0	4846	4114	0	0	0	2740	3466	3606	0	2996	0	0	5298	0	Peptide	0.3043478	1.4347826	0.2173913
14	C26 H37 O8 N1	492.2592	492.25992	0.028973045	492.25922	14645	10898	15842	15170	4251	6099	8893	20146	3514	15509	7815	10121	5287	5135	11756	20478	22203	5091	7068	26803	22804	17359	11192	17616	12899	15315	11832	0	21006	15445	18713	17427	17928	15053	22999	16314	13102	11824	19376	10239	13792	7677	0	0	0	14072	9572	0	19965	13039	16508	12073	5695	0	4490	3399	3953	20140	5744	6510	0	4820	6306	1888	4789	7383	6482	21285	0	26903	16478	11658	14140	14412	17621	15949	0	12069	13151	0	13053	4593	6491	9412	7626	5125	9135	7128	9597	54766	26620	14897	50606	6222	14992	0	11634	16803	4011	3332	5728	21260	7318	21067	0	11575	3906	0	11242	3209	Lipid	0.30769232	1.4230769	0.038461536
26	C26 H37 O8 N1	492.2592	492.25986	0.007012769	492.2592	39173	33089	36587	37043	52229	27693	10171	39882	43736	59384	44191	14100	60400	26597	25489	34762	21193	39102	64363	85322	79971	31067	24557	44266	31751	109785	10584	44880	37988	31320	26863	31446	38512	32783	78962	31387	0	26811	23778	50247	40088	20870	0	0	0	40542	35800	0	34402	23357	37752	34643	34176	0	50172	41750	20715	32724	29774	14667	39564	33883	49571	34130	10476	40160	27384	26432	97346	137493	120059	33054	28466	29817	16086	28670	0	19971	31673	18120	28116	18765	25134	36457	46173	16548	34180	21225	22063	30863	36681	40595	49991	20007	31021	0	36512	44192	24536	42614	41045	40168	15917	41464	25123	29056	33510	0	25500	43154	Lipid	0.30769232	1.4230769	0.038461536
16	C26 H37 O8 N1	492.2592	492.25986	-0.05770899	492.25916	26817	28165	22940	26922	17096	12150	26899	35439	13362	24057	24108	24793	10889	7836	22624	38867	41933	16567	22604	44307	43117	32477	24311	36217	24013	41737	26381	15439	40936	34661	32434	33372	37080	24778	31895	36641	31579	25704	35644	28816	25744	18771	466	0	0	21287	21846	0	38638	35722	25649	34218	20316	0	16266	13511	12698	37558	10958	24054	42862	14586	10036	14549	10016	15758	14897	37311	36492	37913	46069	26480	29628	31717	40261	31935	0	23296	26874	17418	26853	12969	20445	15755	18659	14183	24421	16076	18461	94419	24436	33454	58801	12627	29711	0	33004	36636	9439	11993	15075	42019	17729	33753	10621	37495	14249	0	25126	10073	Lipid	0.30769232	1.4230769	0.038461536
12	C26 H37 O8 N1	492.2592	492.25995	0.043343455	492.25922	6325	9476	8210	9191	4457	3852	5308	15011	3854	10423	9563	4853	4396	3704	9025	9257	10759	3298	7339	22087	19946	13601	6365	12295	10522	10902	7506	0	11615	12019	10928	15410	22770	12724	17899	15784	17109	9667	10650	13362	3607	5407	0	0	0	11680	7359	0	13050	11390	10970	6117	4119	0	1667	3244	2361	15066	0	0	0	5613	3254	2616	2239	3423	4769	16721	0	15707	11666	11763	11151	13220	7316	10665	0	8287	6261	0	5460	2211	2344	8659	1899	2190	3948	3075	6376	48598	15902	7844	39175	5894	8462	0	8115	9523	3403	1930	0	16524	8264	9829	0	17036	2588	0	8661	2842	Lipid	0.30769232	1.4230769	0.038461536
28	C26 H37 O8 N1	492.2592	492.25983	0.027089842	492.25922	8998	6832	8582	6560	11606	3639	2235	5307	8570	13176	8167	3187	12077	4714	0	7179	4263	7450	10593	14139	18114	5679	3625	6273	4414	27983	1850	8266	5979	2997	5207	4904	6526	5061	15673	6386	6268	2646	3301	8584	11321	4922	0	0	0	4197	7062	0	5928	3975	7286	7297	6495	0	11807	6329	2882	4159	3368	2454	6849	4728	7457	6341	2263	9820	4319	4404	25369	34400	47138	4779	4490	2796	2496	2872	0	2690	7681	3027	3208	3319	3850	4973	9658	4114	6817	4387	4005	6788	7246	7422	6430	2906	6278	0	7458	8671	4818	10693	9348	6435	2058	6632	2901	6318	4715	0	2816	8907	Lipid	0.30769232	1.4230769	0.038461536
18	C23 H41 O8 N1 S1	492.26257	492.26324	-0.11720815	492.2625	76171	68842	62264	63265	55890	36137	54470	83480	36688	60002	55780	50316	55723	32180	60057	108888	74463	62939	74203	119198	115922	50399	73031	99220	56071	137919	49778	53141	84579	79104	62757	81737	80897	80410	59641	95107	79439	55540	81849	68755	71619	47447	1465	0	0	69634	57267	0	71482	68891	72484	71382	49197	0	65662	50949	35458	90631	44161	64785	93751	44117	56789	37756	29435	47580	48661	77588	109461	106846	137202	73112	55061	79051	85439	75604	0	44196	75830	52681	65096	34330	54271	42030	61745	45150	78043	47102	49353	105773	86008	73992	128972	40088	64616	0	72352	68690	37722	40768	53545	88556	51100	89463	28972	71713	44812	0	64215	47946	Organosulfur	0.3478261	1.7826087	0.04347826
2	C20 H37 O9 N5	492.26642	492.26706	0.1436651	492.26648	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5983	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46522	0	0	0	0	0	0	0	0	0	0	10451	3508	0	1747	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45	1.85	0.25
10	C24 H37 O6 N5	492.28165	492.28186	-0.22268099	492.28156	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1144	0	0	15244	0	0	0	0	1805	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48799	0	0	0	0	0	0	0	0	0	0	61100	10250	0	1384	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.5416666	0.20833333
28	C27 H41 O7 N1	492.2956	492.2962	-0.019369068	492.29556	7380	6827	8472	5925	13756	3366	7120	7635	8259	4868	10524	2492	8543	15398	4312	6170	8190	5502	8122	11696	10842	5536	4489	7299	8457	26256	7184	12758	8653	7969	5676	5163	15903	8664	9560	8575	10558	5656	9898	8431	9943	5653	0	0	0	5916	4068	0	5416	6245	7947	9597	8930	0	10151	13534	4122	7796	6319	4676	9429	6345	8449	7228	19483	8665	8113	9446	21685	22928	29692	6135	5448	7089	2310	7067	0	5520	9863	5201	5070	3846	5875	8767	14063	6541	12813	4596	4212	8605	6691	9764	4765	6574	3894	0	7464	7263	8112	14445	14272	15384	2840	8341	3725	7291	9671	0	4576	5915	Lipid	0.25925925	1.5185186	0.037037037
20	C27 H41 O7 N1	492.2956	492.2962	-0.002945255	492.29556	13574	18697	22669	19085	27812	11407	20985	20148	16412	12734	17900	18647	10990	11936	18256	28656	40109	10291	26272	22915	22220	9725	12783	30446	15598	38997	20694	14640	24796	25262	17708	23600	30500	25727	13548	33679	20719	13843	33285	15831	20309	17625	502	0	0	12527	11873	0	27350	24696	18907	18146	19136	0	19287	17574	11099	19992	7532	19218	23311	7031	12501	13468	7239	11138	12403	32402	32188	26310	34484	12949	21425	21446	36526	24425	0	13459	22982	12338	13435	5312	18282	0	23229	17819	23000	12264	14193	29612	25458	24467	31924	8565	13341	0	18517	25089	13961	15453	20387	41239	16851	26376	8701	21383	25707	0	11729	16756	Lipid	0.25925925	1.5185186	0.037037037
24	C24 H45 O9 N1	492.3167	492.3168	-0.0772232	492.31668	0	1432	1012	0	0	0	2931	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1585	177040	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1118	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28293	0	0	1127	0	0	0	0	0	0	0	7451	7607	0	1870	0	0	1547	1991	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.375	1.875	0.041666668
26	C24 H45 O9 N1	492.3167	492.31732	0.39089206	492.3169	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	192728	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2388	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4934	0	0	0	0	0	6274	0	0	0	0	0	3060	0	0	0	0	1984	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.375	1.875	0.041666668
28	C28 H45 O6 N1	492.33197	492.33252	-0.08307292	492.3319	5546	4358	5551	6133	10109	2398	34185	6052	7190	2519	4679	2666	3735	2664	4224	4421	6014	0	9718	3908	2255	1444	3852	4270	8595	9250	17196	8117	7942	6456	3268	6474	14115	5043	1792	10800	7287	5822	5386	2974	2351	5103	0	0	0	0	0	0	3503	7095	4179	4558	6731	0	7855	7005	4541	5825	4558	2387	6103	3174	1788	4841	2626	2976	4883	5663	6677	5003	2633	3408	3367	8104	4302	5623	0	4374	7662	7301	4196	2502	7020	5519	20132	6871	17804	2905	4087	5573	4412	6736	2301	5170	2102	0	4967	4858	8118	26085	34928	16086	2881	6235	2967	7157	23532	0	7534	2500	Lipid	0.21428572	1.6071428	0.035714287
18	C28 H45 O6 N1	492.33197	492.33258	0.06979896	492.332	1828	2342	1712	0	0	0	1053	5263	0	0	0	5785	0	0	0	7100	0	0	0	0	0	0	0	0	0	0	3062	0	0	22641	8923	4584	8236	0	0	5540	2429	1843	0	0	0	0	0	0	0	0	0	0	9922	1372	0	0	0	0	0	0	0	7566	0	0	8458	0	0	0	0	0	0	4871	0	0	0	5709	17225	10451	5330	0	0	8492	0	0	0	0	0	0	0	0	0	0	0	2158	0	0	0	0	0	0	2198	2004	0	0	0	7226	4620	0	0	0	0	0	0	0	Lipid	0.21428572	1.6071428	0.035714287
24	C28 H45 O6 N1	492.33197	492.33252	-0.09636203	492.3319	12444	12498	12573	13807	23381	7594	9900	12535	15865	5705	12285	10734	8525	9730	10445	21509	31418	7364	18257	8618	7763	4188	7018	8377	15155	17710	11886	11665	15156	24662	11475	15789	16383	11747	3734	25128	11988	10890	29551	5116	9680	11324	0	0	0	4694	5332	0	16297	15683	8702	10516	15033	0	15327	13764	8954	15889	6933	11684	18171	2171	6792	11312	7707	7784	14702	32651	13517	7756	15650	8333	12538	19084	26107	19650	0	10561	12736	9895	7210	4109	7670	6171	22774	14619	20828	11487	12582	18510	10933	9497	10771	8277	7096	0	10342	16991	11025	13661	18754	26291	11467	17448	4003	11586	26135	0	9918	8052	Lipid	0.21428572	1.6071428	0.035714287
28	C19 H8 O16	492.98853	492.9886	0.012695106	492.98853	0	0	0	0	0	0	18391	0	0	0	1920	4474	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9080	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12069	0	0	0	0	0	0	0	Phytochemical	0.84210527	0.42105263	0.0
24	C21 H16 O14	493.06128	493.06207	0.23721293	493.0614	3640	2668	2542	3960	10842	5549	0	0	12311	2333	1864	816	25390	3502	1386	0	0	11068	12431	0	1982	6527	2210	0	0	0	0	0	0	0	0	0	1174	0	4044	0	0	843	0	1783	1496	0	0	0	0	1628	4243	0	0	0	2261	1285	7090	0	14132	7982	2780	0	1530	0	0	1773	18607	11944	1753	7767	2117	0	0	0	0	0	0	0	0	0	0	0	3536	3453	4852	4253	0	0	15428	5290	1698	1177	2515	0	0	0	0	4628	5799	0	3528	3747	7426	14423	11689	0	0	0	5238	0	8622	0	1089	22057	Phytochemical	0.6666667	0.7619048	0.0
20	C21 H16 O14	493.06128	493.0621	0.23902047	493.0614	2864	3526	2742	4791	19699	9403	0	0	20988	2071	2457	0	32125	3079	0	0	1570	12563	17719	0	3101	12334	3072	0	0	0	0	0	0	0	0	0	0	0	4264	0	0	1676	0	0	2194	0	723	0	0	1670	13734	1310	0	0	7941	4206	6880	0	17042	19496	8187	0	0	1538	0	2334	37937	16157	6924	22500	4831	0	0	0	0	0	0	0	0	0	0	0	5113	8458	4556	6133	0	0	24416	4841	2151	3071	2165	0	0	0	0	15486	5926	0	8314	4559	14621	28215	28174	0	0	0	9695	1938	17591	0	1309	39721	Phytochemical	0.6666667	0.7619048	0.0
26	C21 H16 O14	493.06128	493.06216	0.24601069	493.0614	2228	0	3179	2200	9903	3622	0	0	11173	2044	0	0	28712	2575	0	0	0	17355	9249	0	0	3779	0	0	0	0	0	0	0	0	0	0	0	0	2411	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3903	4491	4751	0	13809	12890	0	0	0	0	0	0	20648	11717	0	9084	0	0	0	0	0	0	0	0	0	0	0	0	2816	0	2544	0	0	0	11735	0	0	0	0	0	0	0	0	4541	0	0	3446	0	5527	10887	9840	0	0	0	0	0	7016	0	0	24481	Phytochemical	0.6666667	0.7619048	0.0
16	C21 H16 O14	493.06128	493.06213	0.23630986	493.0614	5268	4257	4868	3952	20814	7046	0	0	25087	0	4683	1727	41471	5790	0	0	0	11028	11692	1969	2391	15191	2693	0	0	0	0	0	0	0	0	0	0	0	5146	0	1828	1807	0	0	3039	3641	425	0	0	0	17793	540	0	0	3439	4551	9625	0	13460	21719	6807	0	1552	0	0	1128	54585	19156	7016	26705	3492	0	0	0	0	0	0	0	0	0	0	1118	4082	6082	3232	6589	0	0	30429	6113	3434	3866	4870	0	0	0	0	27595	7039	0	6883	3534	22461	36909	30052	1599	1264	0	9589	0	20703	0	0	38327	Phytochemical	0.6666667	0.7619048	0.0
18	C21 H16 O14	493.06128	493.06204	0.20531453	493.06137	5637	6230	5821	6478	18482	6061	0	0	25256	0	3724	2583	42633	6863	1715	0	0	18097	18880	0	4487	14963	2151	0	0	0	0	0	0	0	0	0	0	0	4349	0	0	1748	0	0	4586	2914	540	0	0	7234	14589	597	0	0	4314	5705	12049	0	17416	19985	7058	0	0	0	0	3988	48208	24093	5031	23705	3824	0	0	1505	0	0	0	0	0	0	0	0	4707	10183	4978	7300	0	0	36571	7648	4197	2759	3595	2163	0	0	0	18775	6526	0	6927	0	20905	41256	32116	0	0	0	9564	0	23128	0	0	44119	Phytochemical	0.6666667	0.7619048	0.0
14	C21 H16 O14	493.06128	493.06213	0.15158027	493.06137	1774	2499	2855	6207	13910	3668	0	0	20313	2487	0	0	23324	1640	0	0	0	11265	5112	0	0	9484	1166	0	0	0	0	0	0	0	0	0	0	0	4116	0	0	0	0	0	3640	2153	0	0	0	2473	12989	0	0	0	5084	2082	5368	0	12235	18292	3929	0	0	0	0	0	36479	15115	5269	18462	5230	0	0	0	0	0	0	0	0	0	0	0	1821	0	2240	4393	0	0	24146	4129	1719	2546	3924	0	0	0	0	17243	3450	0	5390	2541	15655	28145	24049	0	0	0	0	1607	13399	0	0	22067	Phytochemical	0.6666667	0.7619048	0.0
28	C21 H16 O14	493.06128	493.06198	0.2771091	493.06143	3427	3174	4543	4113	8806	5031	1079	0	10980	2564	0	0	27799	3603	0	0	0	14353	10601	0	3460	4868	0	0	0	0	0	0	0	0	0	0	898	0	2996	0	0	1795	0	1247	0	0	0	0	0	2951	5781	0	0	0	3292	3419	5417	0	12787	10376	3512	0	0	0	0	1469	23739	8686	2641	10694	2802	0	0	0	0	0	0	0	0	0	0	0	4489	2742	4352	1644	0	0	16645	5036	1778	0	1399	0	1017	914	1865	5848	4855	0	3950	3601	6512	12771	13735	0	0	0	3666	0	10863	0	0	22793	Phytochemical	0.6666667	0.7619048	0.0
8	C22 H20 O13	493.09766	493.09854	0.18730187	493.09775	4220	3816	1329	5139	8318	2441	1310	1187	11874	7437	8001	0	13589	1411	806	0	1325	7563	8450	5110	6930	5442	2746	1419	0	529	0	0	0	0	779	0	0	1153	9170	0	1979	1831	1944	1645	5241	2214	0	0	0	4128	12968	0	1206	0	4882	3210	4410	0	9110	9039	3933	1532	0	1955	0	1219	21492	8370	4009	11452	1767	2404	4646	1459	0	779	0	0	0	0	0	1357	5813	0	3065	3105	0	0	15462	0	4187	2648	2334	2522	0	0	0	9272	7180	0	3670	3043	11719	18755	13360	1017	1604	0	0	1149	10536	0	0	17985	Phytochemical	0.59090906	0.90909094	0.0
14	C22 H20 O13	493.09766	493.09845	0.12963423	493.09772	110270	95390	82202	109824	139492	82964	26296	21384	208380	173698	129146	40272	280843	54804	40426	38558	22780	181124	159680	113860	161404	287570	65704	38058	16682	7521	30816	38336	14556	13436	29110	21540	44166	18534	250131	13888	44700	45670	26430	72687	125812	54374	0	0	0	175620	338440	0	26728	35850	108880	104022	89519	0	179652	165669	70458	37976	38934	25550	0	91380	319470	190430	70474	221451	61862	21366	42186	30550	67729	24538	14136	12264	18922	24822	0	27778	90525	120518	81346	177468	18216	24556	197411	81018	81450	52690	80094	39354	13046	52417	28282	291988	190656	0	115444	93100	154390	192794	168020	45726	35442	27486	266962	35148	132882	0	24568	251230	Phytochemical	0.59090906	0.90909094	0.0
24	C22 H20 O13	493.09766	493.09845	0.2612215	493.0978	6849	6222	4867	5018	12922	6734	0	0	14350	11188	3309	1873	34187	5161	3976	2453	0	17438	20932	8195	7715	15156	3330	1629	1867	0	0	1602	0	1078	0	0	1312	0	8610	0	1817	1947	0	4982	4111	1910	0	0	0	14684	20681	0	0	0	5478	6317	7139	0	24612	13406	3792	1334	2785	0	0	6832	30346	15401	2788	14138	3003	0	4810	4755	4381	0	0	0	0	0	0	1135	6293	7623	7141	16503	0	2038	16916	11197	2956	1487	3222	0	1949	3612	1882	10870	19801	0	4247	5755	10309	11375	16149	0	1218	2910	16602	1141	14820	0	1317	36019	Phytochemical	0.59090906	0.90909094	0.0
10	C22 H20 O13	493.09766	493.09848	0.10560397	493.09772	15606	17783	13582	11993	27933	13301	2424	2948	32067	25371	20383	7109	40461	6798	3841	4031	6957	18658	23141	15227	31416	26704	10948	2323	1028	2724	5277	4455	1491	1616	3208	2228	3032	1910	32703	2469	3542	5221	6676	6377	23794	5868	0	0	0	14422	48762	0	2476	3120	14781	14478	15797	0	28889	23549	10965	4195	2417	8952	0	8821	51424	26515	14297	27430	11922	5663	7822	4332	11346	3879	3553	1034	4214	1492	0	2931	18113	18985	14282	18742	2592	2251	36519	11793	9607	8757	8879	8780	0	3430	5698	37072	26495	0	15051	12321	34159	38678	30357	4236	4668	0	34875	5968	27882	0	2076	38661	Phytochemical	0.59090906	0.90909094	0.0
18	C22 H20 O13	493.09766	493.09842	0.15030712	493.09775	96900	93452	82056	83208	163508	70796	13130	20316	181850	146196	61170	19266	337246	60698	38254	23970	12166	208924	189534	103440	99468	220674	66090	27208	15706	0	15320	27468	13674	8964	18896	17662	33020	12814	154292	11256	43800	39058	15194	70738	69514	37542	3692	0	0	166898	232952	1134	18594	8422	91168	94222	87450	556	229548	148506	72598	19778	36686	16794	21452	64610	342772	168972	58500	211524	64293	8770	32526	28626	43210	19656	11680	4352	7926	0	636	24374	82706	120148	69366	195668	13316	15980	184182	88136	52484	48036	60554	8518	17008	50944	40888	193478	174958	0	88978	70514	149014	150814	143052	30518	20258	30122	169464	28706	106410	0	22274	305656	Phytochemical	0.59090906	0.90909094	0.0
26	C22 H20 O13	493.09766	493.09848	0.24077833	493.09778	2930	6437	4648	3327	6623	5959	0	0	11152	10819	2025	0	24102	5185	0	0	0	14017	7877	6876	7460	11242	0	0	0	0	0	0	0	0	0	0	0	0	10492	0	0	0	0	4307	4670	0	0	0	0	8313	14001	0	0	0	5103	4897	3536	0	12874	9468	2829	0	0	0	0	3077	22367	9573	0	8632	0	0	0	4239	4615	0	0	0	0	0	0	0	6518	0	3333	8316	0	2556	13297	0	0	0	0	0	1719	2512	0	8440	10925	0	5205	0	6018	8564	8884	0	0	0	10030	0	6468	0	0	18034	Phytochemical	0.59090906	0.90909094	0.0
22	C22 H20 O13	493.09766	493.09842	0.3157581	493.0978	16042	16472	12856	9695	32249	13379	2140	1809	35586	17001	8331	2707	56305	12104	5613	0	0	38434	20179	11814	12552	35113	11481	0	3396	4308	1553	6374	1521	0	2117	0	3632	0	24631	2268	3476	8152	1506	10203	9731	5643	0	0	0	31809	53449	0	2384	1630	11652	11559	16738	536	38023	29216	10193	2459	4424	3300	3789	8327	57704	28236	7398	32141	7694	1987	7061	6279	5170	2014	0	0	1309	0	504	2561	7678	14251	9177	37349	2433	5003	37280	14840	6844	4321	4086	2404	5616	5920	4207	28862	38505	0	10732	9233	26213	25469	25123	2530	1797	3036	33020	3153	17681	0	2514	52409	Phytochemical	0.59090906	0.90909094	0.0
16	C22 H20 O13	493.09766	493.09842	0.13407347	493.09775	50206	56954	56202	52212	98749	62703	10131	16073	124265	92836	57244	14785	192045	36228	28986	15684	8988	125162	100636	63188	78596	136881	41624	18729	7356	8717	12066	17971	7840	9183	13370	10098	23577	10766	126697	5902	21069	28034	9161	53121	43741	23360	1495	0	0	105837	149831	560	11719	9179	55783	51854	59663	0	101399	90266	34052	14452	24499	13813	20866	46186	183223	102944	31919	115184	39222	13151	17004	21139	21249	9894	10665	7529	9312	10942	263	20005	52892	83239	35404	112088	8758	14046	109290	45518	37385	32294	34194	0	14114	38872	0	132851	129824	0	54599	58350	84447	96138	108610	21461	16833	14605	107677	26277	87065	0	9761	184257	Phytochemical	0.59090906	0.90909094	0.0
28	C22 H20 O13	493.09766	493.0984	0.22179614	493.09778	4281	4288	4684	2937	6450	5546	0	0	7775	7772	1261	1257	22278	2592	2103	0	0	10676	9135	5600	5708	7029	3395	0	0	0	0	1399	0	0	0	0	1170	0	8666	0	0	2100	0	2978	0	0	0	0	0	7238	14041	0	0	0	5271	5168	3233	0	11085	6932	2464	0	0	0	0	3315	14209	7265	2197	9596	1848	1004	0	3912	4086	0	0	0	0	0	0	0	4019	5039	4205	8261	0	1803	8971	2895	3336	1681	1778	0	1131	2141	0	5278	7447	0	6089	4212	7292	5698	5520	0	1364	0	11659	1882	6396	0	0	12728	Phytochemical	0.59090906	0.90909094	0.0
20	C22 H20 O13	493.09766	493.0984	0.16487223	493.09775	270603	245166	188238	203859	497082	313884	46080	44244	660717	442719	136467	66960	968450	172611	107658	45054	33867	590223	555948	184743	289242	552618	170001	63528	54561	43744	3420	50829	32400	18315	46326	21249	74160	30573	504153	21780	99575	106284	32976	211990	205685	74889	10935	0	0	547326	850667	4707	32859	28071	280386	227886	296445	0	601653	478179	195945	47088	102057	40947	46476	216472	929844	524436	137043	531285	179745	26487	88678	101484	85518	28800	24381	22104	19809	21519	4311	86028	175734	383425	173565	603189	37917	69480	593599	296337	134736	125055	153438	39891	79569	115524	76587	536280	453765	0	276123	227847	385524	513294	442101	30237	35163	31860	648324	80316	440478	0	47934	1079945	Phytochemical	0.59090906	0.90909094	0.0
12	C22 H20 O13	493.09766	493.09848	0.16924588	493.09775	34325	33605	36732	32943	47280	23957	10283	6832	66741	60126	55723	10837	76465	14200	10917	11040	13212	51563	61613	34919	52856	98319	20240	8380	2768	2915	7365	14747	5646	4929	8423	6728	11232	5844	71117	5305	14696	20533	14468	24182	54710	15495	530	0	0	47579	143209	0	5136	4502	36167	35719	30879	0	56175	53860	21261	18417	8911	12840	0	25295	110600	56544	19321	56287	21559	12043	22409	10843	22210	6993	7321	4350	6574	5630	0	9534	24521	44944	25409	50911	3162	6438	68483	26336	25101	15837	19526	20705	3307	10255	11351	98758	63908	0	39580	33396	68171	71395	62770	16245	9729	8584	95269	11248	52111	0	6975	88147	Phytochemical	0.59090906	0.90909094	0.0
12	C21 H20 O12 N2	493.1089	493.10974	0.18412568	493.10898	8963	9334	10173	10771	12929	5162	2429	3258	23271	13404	12044	5012	29820	3522	3065	3858	5289	17733	20954	13919	25520	50179	8070	5569	1388	0	2310	0	2191	2366	2234	2496	7385	1980	28444	2156	5940	3682	5218	10666	37017	6554	0	0	0	32096	91253	0	3189	3974	9537	12630	8054	0	21663	14608	6210	2866	0	6711	0	20322	43391	21205	8741	17382	7280	6662	0	2707	6058	1536	2777	2421	3216	1140	0	4477	6546	15751	5940	34553	824	3339	20787	7134	7836	4958	6245	5938	0	5577	6992	40325	22114	0	16878	13110	12830	15930	17627	6941	3534	4504	62685	7251	10498	0	1941	33570	Phytochemical	0.5714286	0.95238096	0.0952381
18	C21 H20 O12 N2	493.1089	493.10962	0.15509482	493.10898	6525	3589	6311	9086	8732	5184	0	0	9999	6883	3353	1740	21145	2080	1750	4060	2511	7224	7894	5351	12609	28464	4130	2144	2328	0	0	1744	0	2643	1320	0	5584	0	8409	0	3607	1898	0	6492	11470	2675	443	0	0	25323	47647	0	1719	1623	6539	6012	4521	0	16023	11383	5860	2635	1644	2345	0	13458	19232	14126	4563	8534	4385	0	2651	2065	2569	2493	0	0	0	0	0	2810	4991	13282	3173	25545	1549	3668	9848	2247	3469	4019	2442	3947	3165	5756	4465	26505	16281	0	9806	7280	10434	7946	9059	4025	4066	1776	29772	2807	7113	0	0	20014	Phytochemical	0.5714286	0.95238096	0.0952381
10	C21 H20 O12 N2	493.1089	493.1097	0.16744177	493.10898	7479	7809	5405	4509	8559	2121	934	0	14825	8222	7222	2358	22517	1810	1176	2813	4309	8553	11816	8744	17530	26218	5059	2702	0	0	1002	0	0	0	1885	1564	4143	2583	14763	939	5776	2525	2617	8751	26877	4583	0	0	0	15480	55723	0	2623	1764	9819	9559	5689	0	13592	13543	2608	3193	2632	4985	0	11335	31469	16893	3246	14473	4486	4067	0	2520	3494	0	1464	1035	2798	1533	0	2545	4757	8502	3012	18030	1203	1642	12897	3687	3391	6646	5281	8342	0	3290	6221	23371	15471	0	10381	9222	10066	16434	10714	5040	2543	0	18560	2637	8743	0	1905	19376	Phytochemical	0.5714286	0.95238096	0.0952381
16	C21 H20 O12 N2	493.1089	493.1097	0.14560677	493.10898	11569	7808	6381	9733	15399	8198	2046	3198	18123	15437	5618	3509	29506	5173	3365	4440	4495	14419	19378	12315	23332	46246	6743	4038	1778	0	0	4330	2180	1789	2526	0	4496	0	23120	0	5504	4455	2920	18927	23163	7288	273	0	0	35842	77019	0	2496	1967	11174	10950	8725	0	14788	15760	4021	0	3455	4793	0	19620	30106	18185	5062	16296	7112	2247	3939	3076	4885	4936	1594	0	2938	0	0	3454	6230	30138	5596	36669	1007	4921	16629	8905	5666	6951	5420	0	0	7432	0	34079	27048	0	10039	8978	8622	12228	11226	5745	3413	3639	51187	0	11950	0	1211	29700	Phytochemical	0.5714286	0.95238096	0.0952381
20	C21 H20 O12 N2	493.1089	493.10965	0.22639416	493.109	3537	5546	1540	4911	2038	3954	0	0	4284	7059	0	2112	8600	0	0	0	0	3685	5438	0	3780	8169	3051	1754	1900	0	1140	1850	0	0	1510	0	5145	0	6480	0	3041	2026	2793	3166	3568	0	0	0	0	15195	34278	0	0	0	2664	1721	3520	0	7048	7848	2108	0	1943	1175	0	7655	9942	6035	0	3395	1433	0	1802	2229	0	0	0	0	0	0	0	2249	1906	9057	1464	17512	1110	0	4578	2794	2045	2427	3245	2587	2871	2589	2507	12420	7513	0	4855	2350	2190	5354	3427	2780	0	0	20037	1683	1920	0	0	7235	Phytochemical	0.5714286	0.95238096	0.0952381
14	C21 H20 O12 N2	493.1089	493.10974	0.18935841	493.109	10006	8512	12077	11642	15261	6674	2297	4886	20882	11815	9665	6368	37348	4065	3530	3091	3383	17214	17022	11953	27387	47324	6272	6326	1762	1684	2703	0	3744	3190	4318	0	6185	2310	27026	3302	2774	3783	6201	18867	41983	6101	0	0	0	49742	98276	0	2498	3078	9190	14238	11837	0	24456	15562	5755	6063	6412	0	0	20939	50036	26732	6753	23081	6478	6186	0	4564	6586	2105	1294	3991	5167	2070	0	1955	10645	21440	6234	34751	0	4080	21271	7692	9221	10153	7873	7799	2857	6683	9461	42540	33940	0	16103	12132	12016	25256	14159	4039	5049	6400	56397	6109	11707	0	2327	31052	Phytochemical	0.5714286	0.95238096	0.0952381
24	C23 H24 O12	493.13406	493.1348	0.28663164	493.1342	10375	11618	10351	14543	17696	10453	2225	2704	21240	41505	9384	2470	35043	9074	6490	4026	3547	27353	18998	25762	29117	24954	8650	7361	4608	11363	2463	9332	3428	3883	2569	4241	4094	4507	49633	2755	4745	4785	4068	20239	12252	4348	0	0	0	41904	46837	0	4335	3000	14265	13160	13953	0	27399	16448	7092	3952	4148	2874	2679	12541	28363	15313	4876	20455	6153	2778	9389	14944	16254	4234	2210	2487	0	2747	0	4516	12488	9102	9048	34139	2972	8952	16340	9300	5599	4837	5564	4024	6614	9881	8650	16442	28809	0	11293	11235	12537	14020	11538	5085	4370	8073	28996	4936	15224	0	4015	32270	Phytochemical	0.5217391	1.0434783	0.0
16	C23 H24 O12	493.13406	493.1348	0.09145305	493.1341	174457	173898	164734	163658	167411	123062	64311	96688	213493	815510	179567	74130	250798	79713	95784	89595	51281	223685	235118	310002	288345	613578	118982	108481	71762	113239	59933	117246	72031	77795	100767	105866	123053	78920	1099776	83018	133282	99443	65767	481050	164334	68774	3950	0	427	789358	786920	0	111062	82595	171551	173999	116128	424	215197	138538	80310	103897	111139	61665	111458	333300	269878	174078	70714	197018	106555	60622	132298	192710	176981	110131	100773	84451	54838	91992	391	81060	127367	161370	103867	672388	70365	136702	162509	102768	107118	71169	96060	90689	107035	135367	135555	442650	619758	822	176292	153401	151635	126778	131782	107997	78867	104304	310107	86817	140444	0	73418	277861	Phytochemical	0.5217391	1.0434783	0.0
26	C23 H24 O12	493.13406	493.1347	0.23245881	493.13416	5182	4519	6443	5832	7540	6037	0	0	11625	20544	0	0	25572	4806	0	0	0	11796	12541	18885	16961	11200	4909	0	0	0	0	2797	0	0	0	4465	3330	0	25087	0	2848	3178	0	8029	8023	0	0	0	0	16462	25007	0	0	0	7154	5896	4464	0	12996	10213	2882	4835	3911	0	0	7485	20948	9525	2784	10072	0	0	0	12374	7528	2522	0	0	0	0	0	0	5045	0	7004	13133	3097	7805	11635	7877	3805	0	3454	2114	2879	4497	0	9069	12532	0	5968	0	7170	9117	4953	0	0	0	11892	2187	6197	0	0	20639	Phytochemical	0.5217391	1.0434783	0.0
10	C23 H24 O12	493.13406	493.13486	0.119045906	493.13412	39721	39977	31445	33819	27500	18403	16412	22541	33271	179470	50246	15649	69750	12555	16848	27906	23291	30447	36029	57380	64719	50613	21827	27352	8504	19523	19075	18676	16094	19295	23062	19506	18941	16979	208612	17716	22136	20542	29294	42447	104498	11338	650	0	0	60283	181910	0	24742	20841	33394	39986	22706	0	35066	24387	14044	25620	19056	26846	24403	30457	40115	30633	15021	30350	16337	29674	33716	36844	58203	19007	20484	14886	20585	23240	0	14861	33468	37154	28073	90718	15507	19239	37528	17004	27263	10977	15419	23560	11904	15816	25205	95886	54304	0	32621	36064	34626	30176	27802	24711	18162	23690	57575	17769	30304	0	13116	34800	Phytochemical	0.5217391	1.0434783	0.0
20	C23 H24 O12	493.13406	493.13474	0.09528091	493.1341	79781	86250	85823	72469	94509	78089	20120	36748	114454	202287	59763	23776	173228	42898	52485	33769	17738	140266	110703	149993	126477	136018	53209	41259	35101	57443	18446	40285	34323	26176	38277	39025	50359	32960	235151	29427	53067	37794	21450	111263	64515	29962	3020	0	382	224195	187216	539	34005	34235	85394	83209	68257	624	124524	76429	44955	45515	43393	23398	31182	87337	175169	95099	38341	107600	49008	20071	55857	109747	75125	42826	31398	34238	18364	29329	524	36362	64950	67990	48460	172845	27879	69619	103113	49863	53605	30458	41306	21909	43493	64678	52087	103250	121441	677	77922	81977	91895	77224	67400	30779	31289	42227	166041	32235	71629	0	34355	180566	Phytochemical	0.5217391	1.0434783	0.0
8	C23 H24 O12	493.13406	493.13498	0.21743317	493.13416	12020	9207	8793	10087	7354	4906	4393	4858	10757	24038	12701	5031	10175	4176	3601	9105	7896	11602	10917	16544	19327	15358	6914	8609	1460	4489	4269	8323	4194	5187	5861	5728	5509	5012	29544	5428	6044	6643	8375	9276	19274	4993	0	0	0	11143	60002	0	5461	6921	12171	11359	5657	0	11447	9306	6402	6645	4810	8349	5553	6373	13498	9149	3546	10575	4116	9689	9467	8110	15925	4808	5434	5016	0	6397	0	4431	11826	4692	8955	22498	3782	4746	11078	4932	10539	4138	4847	11079	0	0	4404	12175	15033	0	10179	10898	11366	12251	11554	7999	5389	9529	9396	5528	9877	0	4980	12517	Phytochemical	0.5217391	1.0434783	0.0
12	C22 H24 O11 N2	493.1453	493.1461	0.10707182	493.14532	77734	70620	74695	73228	45201	32220	48658	71058	55350	122031	67888	42543	70467	16938	47394	56276	56049	64988	73224	112219	120310	152805	56664	60434	28708	20283	36160	38699	44897	43920	54274	44445	61176	45501	173987	40788	60419	50707	62699	123624	156085	33511	302	0	0	152998	197610	0	59279	62609	66126	68406	34957	0	80488	39664	28383	56365	65643	52114	57519	105865	100993	65746	23927	58607	40114	65339	35570	48808	62027	54165	50710	43005	29451	44274	0	43600	55995	91307	38866	104973	32761	48979	46054	29303	44870	31215	38558	77033	39095	65473	87281	113965	83632	0	75233	76092	42476	46051	39561	63774	38040	59224	181742	55545	34739	0	33192	93750	Phytochemical	0.5	1.0909091	0.09090909
18	C22 H24 O11 N2	493.1453	493.146	0.10601045	493.14532	32421	25367	23716	28887	24151	16701	13442	20114	24794	48090	17369	14695	39470	10690	20792	16899	14181	27612	34160	30306	29618	56494	22332	21667	13033	4024	12556	14057	16287	15290	19415	15174	23597	16866	62136	13519	30141	15410	10478	42806	31031	10741	0	0	0	56435	54231	0	22855	16841	30043	23504	13270	0	33983	15848	12254	21094	19680	9093	21691	33780	38733	23702	10372	25957	18491	14773	8109	18626	13763	14118	15686	13955	12582	15428	0	15846	20255	27346	17941	46816	11321	22139	22301	17187	17760	13096	16138	21549	19063	33090	48681	34509	45258	0	29627	22785	16079	14780	18485	19532	14014	21031	42263	23840	14875	0	18017	44254	Phytochemical	0.5	1.0909091	0.09090909
14	C22 H24 O11 N2	493.1453	493.14603	0.05863296	493.14532	71908	75396	69467	62706	45900	43801	36722	61259	64946	127385	51599	34855	88641	19265	46325	54493	39350	77324	67712	94132	123319	144694	47054	66658	40146	15047	36358	34196	50200	50352	48142	47361	63953	41898	173951	40752	58867	46295	43949	123653	104936	36660	0	0	0	135381	158338	0	55132	48788	63048	62138	44025	0	86593	47467	28178	55396	88073	45537	57895	101168	95562	65967	30859	66408	35269	44884	39191	50172	42375	50144	42918	54912	37598	46869	0	39980	44464	70370	42565	99600	34334	44993	55720	35723	53229	43145	38551	71216	55426	61089	92147	96599	110718	0	65204	63007	33862	42707	42770	63305	40093	73133	146091	60499	36606	0	40617	96209	Phytochemical	0.5	1.0909091	0.09090909
20	C22 H24 O11 N2	493.1453	493.146	0.16168678	493.14536	9051	13216	12645	8390	8532	8056	3010	4197	12589	22031	6671	4234	15894	5978	4163	6965	0	13583	12275	11329	14935	26637	6930	8177	7595	3724	3123	4987	5782	4663	6808	3389	11009	7028	16352	3477	12045	6964	6298	23083	8918	4553	0	0	0	26221	22926	0	7800	6174	5990	11711	6636	0	17941	7770	4462	8823	9743	3536	7718	12637	16650	9559	4495	9265	5086	4190	2829	7737	3892	3568	4725	5642	4207	5176	0	4932	11623	9474	4484	18250	5695	0	7204	9127	5652	6025	7164	9764	5976	10805	10087	19155	18083	0	11007	4497	6041	6649	7387	6656	4376	4850	17857	11394	4522	0	6517	16688	Phytochemical	0.5	1.0909091	0.09090909
6	C22 H24 O11 N2	493.1453	493.1462	0.11174015	493.14536	10081	10656	7836	8471	7865	2858	2924	5361	11072	14834	16479	5962	13244	2450	5670	7012	7682	10044	9420	11986	20321	19087	7284	9585	1759	1218	3816	2416	3129	6113	5102	7106	8735	6398	24945	4921	7717	3624	8587	12993	24586	4431	0	0	0	15962	27274	0	5164	5613	11545	8729	6725	0	13432	9506	3883	6731	3921	8659	7583	10472	21964	12115	3698	11200	5547	8194	4805	4259	7426	5097	5416	4211	2948	5109	0	4063	7372	5404	4952	9395	3106	4251	11990	5862	7560	7155	4572	13034	4805	3532	10929	15910	16062	0	8089	7272	6632	13368	14394	6694	3949	9211	14048	7304	5254	0	4060	17560	Phytochemical	0.5	1.0909091	0.09090909
16	C22 H24 O11 N2	493.1453	493.14603	0.089803465	493.14532	45838	48394	56881	46022	32561	28811	23039	34703	41632	84056	40929	24988	68070	18003	37538	35294	32809	64049	56743	74215	69495	114054	47575	47455	28960	12597	22942	17141	40139	26641	36964	39530	50259	36873	122647	34703	44737	34859	24548	82597	53659	24479	813	0	0	105940	94792	0	35703	36596	48410	45975	31283	0	55226	35433	20650	38748	44025	24917	54166	61939	75844	47427	20436	46370	32631	26772	22446	30129	23179	39977	29317	31994	22088	31272	0	30122	45141	46856	28738	72409	26212	38321	37902	26034	38770	24427	26436	47602	38964	58122	66983	67465	80454	0	46272	49409	27735	25633	28524	39933	23177	41277	79599	49547	30859	0	32652	71410	Phytochemical	0.5	1.0909091	0.09090909
22	C27 H24 O9	493.14932	493.14996	0.06590388	493.14935	26130	22778	21902	20813	23690	13629	6145	5595	31315	82643	69873	2906	23584	19568	5527	6751	3088	25489	28519	57295	54677	31913	8513	8561	7921	119877	5633	55144	3817	2382	2662	4838	8488	4103	84364	3338	5193	5380	5171	41805	41492	9657	0	0	0	30862	46539	0	4011	2818	22552	22706	17699	0	19910	19215	11946	7280	5588	6548	6154	28791	28573	21400	10682	24870	15700	4436	111953	133780	156150	3220	2133	2170	2013	4113	0	3169	16846	23092	14084	26782	5955	30223	40631	19120	18131	8579	10319	8246	12588	16590	7143	42299	36971	0	23909	20764	31461	28900	23095	6819	3241	6947	22191	4872	26143	0	8156	30379	Phytochemical	0.33333334	0.8888889	0.0
26	C27 H24 O9	493.14932	493.1499	-0.058806483	493.1493	6186	3571	8239	6797	6702	4022	0	0	10020	18229	16399	0	10361	8971	0	0	0	8360	9044	11214	13103	9076	0	0	0	32486	0	13267	0	0	0	0	2908	0	24414	0	2052	0	0	10610	17675	0	0	0	0	8500	16131	0	0	0	6218	3573	4872	0	8737	9845	3225	0	0	0	0	7441	15126	8722	0	7941	4721	0	39016	36970	52773	0	0	0	0	0	0	0	5478	9485	5301	6560	0	12709	13172	0	5108	0	0	3818	0	2199	0	11435	18079	0	6149	5313	8036	10405	10714	0	0	0	0	0	8902	0	2499	7444	Phytochemical	0.33333334	0.8888889	0.0
24	C27 H24 O9	493.14932	493.1499	0.068442315	493.14935	18155	16073	12473	15275	16902	6490	3036	1862	21337	52168	42969	2382	18571	10612	3007	4380	1828	17156	18031	29720	30623	23921	5418	4377	3544	88550	3302	33895	2020	2524	1690	2448	2219	1108	59073	1820	3484	4634	2970	21953	27396	5057	0	0	0	17539	25688	0	2451	2550	11169	13455	11302	0	12643	15364	9393	4114	3603	3755	2342	17822	23113	11817	6373	19215	9010	4302	75441	72743	101828	2934	0	0	1274	2045	0	1796	12796	16627	11172	13747	3809	20440	27630	9355	13185	6562	6809	5371	4724	3038	3321	28331	25712	0	14280	12642	18949	17277	15579	2946	3148	6006	15533	5334	14178	0	3835	21641	Phytochemical	0.33333334	0.8888889	0.0
18	C27 H24 O9	493.14932	493.15005	0.08314013	493.14935	12319	14909	10306	12882	10727	6142	4455	3477	13190	38245	46969	2241	10895	12884	3352	5761	1698	8271	16626	32375	31025	12486	6461	5695	5824	67263	4732	26760	5366	1733	3189	5806	4038	0	53121	2860	5644	3529	2674	19620	26455	4776	0	0	0	16113	18565	0	3224	2949	12314	10826	11759	0	10941	9201	5956	5379	3442	5500	5014	14219	14629	7651	7117	14901	9637	3690	51913	75078	86948	2273	2394	2179	1315	0	0	4169	8992	12616	11142	14424	5383	15937	19143	3023	7851	4909	3314	7625	3015	7622	4064	16934	18898	0	14976	7421	16088	12269	14299	5302	2507	5163	9297	2443	9976	0	3487	7612	Phytochemical	0.33333334	0.8888889	0.0
28	C27 H24 O9	493.14932	493.14993	0.01812398	493.14932	2735	2007	3502	1901	5409	1380	0	0	4335	10621	6778	963	6351	1806	0	0	0	3612	4678	6348	5013	4045	0	0	0	14736	0	3660	0	0	0	0	0	0	11002	0	873	1497	0	4186	7272	0	0	0	0	4052	2557	0	0	0	2682	1787	2985	0	4714	3849	1068	0	0	0	0	2987	6103	3458	1329	5154	0	0	22408	21533	31446	0	0	0	0	0	0	0	3191	3702	1838	2977	0	4105	7678	0	3412	0	1356	1887	0	1567	0	4429	8165	0	2866	3289	2795	5469	4857	0	0	0	2754	1229	2866	0	0	3826	Phytochemical	0.33333334	0.8888889	0.0
20	C27 H24 O9	493.14932	493.15	0.07593846	493.14935	21516	22791	24121	23065	26231	7136	5444	4817	27603	74751	64869	3974	24055	16992	7771	5796	4234	21287	30540	52708	55936	27494	6263	4344	8931	123420	5842	52182	3924	4790	3754	4902	4939	3069	97918	3477	4701	8928	3966	34598	31978	6930	0	0	0	22054	28685	0	3329	2485	18950	22351	16153	0	22898	19696	10845	9876	4339	6154	4724	23255	29655	15639	10547	22133	14487	4784	95175	116575	139431	3025	2594	1751	3267	5520	0	5423	17509	25794	10948	20347	7905	39747	24929	12717	17681	10566	10211	9656	12779	15584	9703	28215	30926	0	24771	23909	27548	23230	16635	5155	5574	6063	20829	4572	23279	0	6205	25947	Phytochemical	0.33333334	0.8888889	0.0
28	C24 H28 O11	493.17044	493.17117	0.25040075	493.17056	6242	4907	5642	6671	7927	6437	1868	3690	8605	19137	5658	1411	13903	4036	5528	5076	0	9698	8128	17659	16293	6555	4336	6205	3434	8420	1623	5809	3283	4544	4756	3354	5149	3600	19576	5099	5079	3168	1633	11440	7630	3374	0	0	0	15270	10744	0	3417	3644	6801	4987	5576	0	7703	3874	2740	4305	3482	1593	5379	5692	11815	6452	1944	10896	5617	2906	8208	20159	16032	3843	1758	0	2552	2991	0	3738	7479	3880	6249	8713	3405	7997	6114	3495	4179	3233	3780	2702	4226	4997	5804	3323	6077	0	6915	7046	4849	6337	5137	3849	1511	5191	6997	3967	4573	0	2291	12665	Phytochemical	0.45833334	1.1666666	0.0
26	C24 H28 O11	493.17044	493.17114	0.20957969	493.17053	13715	12599	11922	13420	16270	11773	2858	6906	16506	36012	14912	4539	26684	8353	6823	9750	0	21603	17049	31006	34905	12711	13695	12443	6761	12238	0	5904	0	0	6997	5913	8670	6614	39770	8656	10153	6777	4980	21413	11546	0	0	0	0	27541	23695	0	10046	0	15131	13653	9660	0	22485	13774	6643	7139	6287	4928	9738	14489	21341	17474	4654	18495	6544	3360	16633	29687	20422	8069	7931	0	0	6421	0	5002	16059	8603	9817	16691	5793	14538	16247	8680	11747	7703	5858	4206	10659	12801	9400	9497	20954	0	14378	15886	13474	11877	10872	6917	3456	7980	22157	6740	7287	0	4963	28767	Phytochemical	0.45833334	1.1666666	0.0
24	C24 H28 O11	493.17044	493.17108	0.12208683	493.1705	34224	36652	37071	35876	39344	31434	9300	27228	49275	96481	28164	15514	74544	22186	28047	28154	7366	46844	46989	66435	67212	42861	30334	26605	21857	39266	6406	19066	18819	14458	18009	22457	24793	24056	91901	15763	28482	15613	12008	46494	22984	10332	0	0	0	63667	55337	0	22990	20760	37588	35261	21416	0	59987	40387	18466	24034	24058	8955	23207	34656	65200	40588	19071	39880	20646	8935	29886	71539	52987	25743	19197	17491	11139	18527	0	20252	37912	17975	29072	39175	13684	30214	43412	26380	23385	12111	19812	11307	24186	35099	29544	24345	48335	0	34674	32457	32008	30992	37589	21119	14438	25236	44878	20925	27788	0	17130	64609	Phytochemical	0.45833334	1.1666666	0.0
16	C24 H28 O11	493.17044	493.17117	0.10658703	493.1705	363187	782062	729030	756730	518076	204680	203444	336412	664810	1867034	814704	209131	692340	141509	538260	278522	186910	334093	400487	1488520	1346804	960488	582546	661748	456610	417684	181548	330215	277178	287387	622756	327063	660214	253862	2219078	291378	688472	454108	193419	1095914	725498	158637	6750	965	458	1202844	950734	681	674358	601764	772082	726124	226455	732	386570	219172	161232	573944	636476	184532	324860	646308	796856	586756	129090	291163	212635	183196	361326	1325852	512052	671734	299012	327085	193430	297526	503	229794	316723	255803	260300	892516	483184	699786	265454	166500	258322	159924	196664	284348	278552	634370	410222	579086	848758	2005	751160	714168	267669	206102	206960	295551	202425	652756	393293	338242	236848	908	441054	769684	Phytochemical	0.45833334	1.1666666	0.0
22	C24 H28 O11	493.17044	493.1711	0.07786167	493.17047	101438	98674	102093	103411	109522	94974	38534	82305	124369	268856	88034	45323	152035	55028	77935	64118	33444	164055	127747	215739	191036	124323	85266	76529	68467	102011	33141	68823	69447	54104	66305	80506	76777	62254	248151	62028	90379	64025	40092	133022	82709	44769	3828	0	559	200373	130043	0	65122	62867	96830	99890	78712	638	160020	91597	50656	79275	73425	28833	67561	100210	164299	105609	41014	120132	66284	36097	87668	212606	150255	75857	67537	65973	31169	63223	581	60194	89104	44235	88437	126159	47556	87319	103985	65980	88466	41862	61128	39246	76972	99028	89907	74534	110167	0	97441	105570	99674	86204	80878	68887	56385	71285	131062	73645	83565	0	47841	193940	Phytochemical	0.45833334	1.1666666	0.0
14	C23 H28 O10 N2	493.18167	493.18237	-0.001832807	493.18167	108374	124641	112870	106436	54317	63614	90553	132837	73186	183627	81424	64651	86297	34104	97319	101758	82098	95920	97738	177140	159566	234625	94262	137598	111581	33455	69689	78222	117566	108173	113461	114364	139779	102026	251986	111090	139453	87931	69327	165832	104598	55836	0	0	0	171392	112320	0	118044	98448	102665	103111	62230	0	104931	51087	44821	133159	199085	65708	145625	118483	95714	74826	37460	81485	69462	71372	31347	90975	52128	110220	92382	111512	62640	92554	0	81705	85926	76035	75247	86640	90908	95436	44664	55631	77826	71816	70773	114132	125298	157974	192898	96335	143234	474	113634	113207	43279	52222	51690	122217	71856	166916	109990	110552	46227	0	83031	88729	Phytochemical	0.4347826	1.2173913	0.08695652
18	C23 H28 O10 N2	493.18167	493.18234	0.013107629	493.18167	53279	47104	48026	40972	33491	34966	32876	58499	26714	85770	31705	26520	50817	16964	51161	45814	20152	49970	58109	77079	57973	80792	42471	59863	50054	12649	29610	25693	53948	37438	47303	48623	56116	50484	88227	45487	69261	38783	21935	72742	26964	31562	0	0	0	52104	35243	0	52654	39511	49124	42284	30715	0	54608	26147	19271	50381	49487	21638	54696	44405	40531	38783	15570	36300	36803	26650	13323	37038	14694	51493	36740	42894	27667	34025	0	36336	38078	27653	31604	36223	34794	35520	23965	27680	38571	28391	36697	37983	63502	75797	103931	30813	57502	0	48859	46082	15348	22292	26652	52009	29411	46277	35107	50494	22432	0	37147	62485	Phytochemical	0.4347826	1.2173913	0.08695652
6	C23 H28 O10 N2	493.18167	493.18256	0.032236688	493.1817	17432	19435	13835	16150	9162	6942	8232	17257	13393	31605	14334	10274	19299	4297	10087	20028	11949	13435	17833	25141	33644	28807	13157	20659	5958	3942	7942	8869	14321	13216	15586	13247	22256	14946	37294	13500	14690	11158	16944	20397	26360	7083	0	0	0	23359	26036	0	19503	11413	18006	16869	9211	0	18479	10543	5576	16073	13158	13857	18168	15171	17909	14749	4893	14933	9242	17936	4398	11075	13977	14207	15223	11164	5795	12038	0	8130	10128	13784	9259	13081	11274	9863	10539	7032	10929	9263	9539	17475	13656	23528	24292	16628	25537	0	16945	16141	7565	12742	11294	16083	9702	20782	18478	16453	10092	0	7962	20364	Phytochemical	0.4347826	1.2173913	0.08695652
22	C28 H28 O8	493.1857	493.18634	0.053305097	493.18573	44934	38632	35751	42762	42174	21644	11727	17602	52440	112450	106306	12421	39998	32932	17708	20470	16115	39528	43304	94455	99447	41560	23655	24163	22745	221068	12712	99557	12800	15575	12457	18201	18712	14639	118605	14600	18816	18474	12569	71446	72694	18968	0	0	0	38742	48831	0	20173	17773	50235	40379	31355	0	36489	38286	24542	24562	16062	16353	22081	51438	55407	33353	23248	41570	28715	17573	198269	237731	279275	15630	11307	9722	10329	12409	0	16340	41279	36874	29310	37346	15029	61486	58940	24066	32716	24087	21007	20804	28388	27681	22463	47148	48750	0	38277	44509	41105	41987	42862	20339	11195	25202	32129	22340	47492	0	19244	38867	Phytochemical	0.2857143	1.0	0.0
24	C28 H28 O8	493.1857	493.1863	0.040329013	493.1857	38270	30593	29829	30266	32336	17033	6828	12460	30693	73397	82383	8181	47118	24701	13463	14235	9970	28217	31661	71827	74887	23429	15609	18051	7075	179293	7070	75235	9515	7065	11488	10459	13895	7190	83560	9388	12166	11413	8959	49421	66409	11714	0	0	0	35659	39959	0	8531	12320	33078	33183	24933	0	34483	31763	16494	12760	11099	11914	11319	43145	42373	21349	15374	38406	21837	7936	172038	143990	207065	9127	9681	2853	5860	5094	0	7682	25458	30870	24880	25450	7616	49663	48682	22091	26616	11831	19325	16599	11639	14142	18794	34401	33383	0	30257	30260	32062	40245	39088	12919	8074	14536	22801	15602	36440	0	11041	32651	Phytochemical	0.2857143	1.0	0.0
26	C28 H28 O8	493.1857	493.18622	0.026147228	493.1857	12420	13672	11989	12021	14489	5222	0	0	22810	30092	30363	0	21602	8551	0	0	0	13227	12281	23961	27660	12910	0	0	0	74425	2115	27884	0	0	3364	0	4408	4077	35881	0	5621	4960	4458	21257	30970	6300	0	0	0	13520	21734	0	3839	0	16163	11781	10227	0	15500	15765	4818	6969	4395	5013	5650	13200	19456	11846	7252	19246	9701	0	82964	63679	97981	4937	0	0	0	4319	0	3679	14735	15549	10699	9881	5190	17418	28346	10892	11437	5011	7880	7488	4462	5872	10221	14922	13242	0	14581	15772	15642	24283	24203	0	0	6947	0	2871	12321	0	6830	16424	Phytochemical	0.2857143	1.0	0.0
18	C28 H28 O8	493.1857	493.1864	0.05682858	493.18573	13665	19205	13308	7912	15105	6746	4790	11027	14082	31229	24659	5779	12223	12029	9057	8691	7733	9147	12366	26569	35127	9417	10007	12992	11363	56123	7204	19052	6946	8956	5418	10679	10059	7299	23326	9845	10673	7254	11135	20626	28104	7461	0	0	0	11397	14862	0	12469	8260	14933	13315	10666	0	11755	15245	6529	12941	6495	12402	7297	14890	10489	7299	6339	9558	9146	9430	50604	53235	82227	6881	9516	8403	11142	9357	0	4919	20076	11177	12407	9069	7487	17658	12241	11139	17201	5796	4758	11302	8239	14020	18350	13501	14289	0	12925	11999	14724	20201	10565	10628	7221	10788	7186	9083	11467	0	10445	7107	Phytochemical	0.2857143	1.0	0.0
28	C28 H28 O8	493.1857	493.18625	0.04602638	493.18573	4098	2615	3167	4064	4389	1558	0	0	5509	10528	10479	0	7687	2871	0	0	0	5498	4991	7475	9226	3590	2003	2603	0	25367	904	7355	0	0	1194	0	1771	0	8833	0	2776	1404	1342	5213	10472	0	0	0	0	0	6459	0	0	0	3488	4989	2782	0	3948	3570	0	0	0	1287	0	3277	5689	2199	2422	6654	2748	1024	26688	23099	39141	0	0	0	0	0	0	1167	3709	6259	4220	2842	0	8042	8103	2541	4898	2970	1855	2502	1751	1855	2855	5897	4689	0	2531	2868	3016	11068	10193	2748	0	0	0	0	5058	0	1702	3893	Phytochemical	0.2857143	1.0	0.0
10	C22 H28 O9 N4	493.1929	493.19366	0.09315996	493.19296	10989	7774	8568	10615	1787	2855	6683	10321	4455	4955	3709	4580	4591	0	9566	12968	8147	4252	10136	6786	6555	10793	8861	12032	10995	0	8248	9343	8937	9218	8570	11396	10819	8295	7207	8810	14635	8739	7902	8786	6095	4248	0	0	0	7471	7043	0	12701	7037	8714	7244	4089	0	6117	1644	3041	11114	10491	6249	11694	5170	3640	0	2666	5442	4510	7371	0	0	0	6910	8996	9261	8502	6380	0	6692	8292	14281	4884	5061	8263	0	3451	2171	8597	5444	7763	15157	50677	21669	22788	4617	5158	0	11243	6488	2339	3183	3068	10433	6843	8725	0	9202	2556	0	8675	3078	Peptide	0.4090909	1.2727273	0.18181819
6	C22 H28 O9 N4	493.1929	493.19376	0.0906685	493.19296	5343	7497	6797	4656	2213	2436	4594	9118	3496	4571	4374	4904	3678	1017	7134	8574	8279	4019	4994	5216	5411	12407	6230	12046	4358	0	4210	5105	8686	6087	6727	7555	7840	6983	7148	5807	8654	6746	8196	4691	4902	3742	0	0	0	8158	5301	0	8542	6760	6512	7105	3475	0	5354	1612	1951	9812	5822	4771	10164	2936	4361	2395	2674	4088	2940	9529	0	2569	0	6763	5929	5276	2483	4910	0	4807	5478	18374	4801	2373	5144	2383	2684	1570	7551	4917	4261	13896	30015	17583	15879	6730	3978	0	8768	8403	1375	2111	2542	7848	4564	6472	0	9778	2493	0	4657	3176	Peptide	0.4090909	1.2727273	0.18181819
12	C22 H28 O9 N4	493.1929	493.1938	0.22184688	493.19302	4394	7165	6080	0	3523	3773	7237	10155	0	2557	0	4218	0	1595	8773	5386	0	4620	4002	0	3853	7238	6404	4727	10081	0	2626	10560	8112	6942	9292	6669	7394	6074	0	6417	9935	5898	6943	4957	0	3090	0	0	0	2516	0	0	7925	4213	4892	5914	4298	0	4582	1339	2294	6624	6136	0	0	0	2407	4618	1523	2889	4992	8547	0	0	0	5964	4995	4958	3960	4002	0	5574	5886	0	4520	3150	6938	2344	0	2050	6093	5214	4916	16381	21344	15372	10638	5618	0	0	4738	8402	0	0	0	14476	5569	6610	0	7908	1930	0	9583	2624	Peptide	0.4090909	1.2727273	0.18181819
14	C25 H32 O10	493.20682	493.20755	0.03450246	493.20685	160035	158233	139423	141916	72324	67875	118699	330144	94175	361554	131277	99016	88301	44369	229204	164518	135078	85451	107555	443524	364590	151810	246692	177174	203466	145538	113362	117719	129752	137660	246424	189562	272178	97998	413668	143355	261992	109321	142898	272810	171276	77752	0	0	0	250578	138861	0	163447	294210	144493	134858	71584	516	122207	68419	63077	326474	175467	129493	183832	201096	92965	102861	55226	86574	74956	146966	143997	169601	183016	233540	231788	305492	120242	286206	0	106333	148583	69304	125839	95263	242864	222864	102709	74574	151455	69914	84032	210693	106959	119071	353094	69317	216352	980	272370	146209	72855	188924	193878	138320	97484	349848	114016	243214	75559	0	110235	93319	Phytochemical	0.4	1.28	0.0
18	C25 H32 O10	493.20682	493.2075	0.05472583	493.20685	592711	594779	563673	528254	362326	327247	341120	626829	441349	1180403	574071	327116	490753	236269	486754	554838	325804	506640	612007	1063967	955269	528360	493108	1194932	399925	689904	303594	521273	566949	488736	540746	524430	602843	475789	1213461	542546	590600	422301	355537	1424830	436703	294446	10606	1177	525	590013	378543	1035	608228	501746	561891	591914	357961	1682	635636	334033	264400	1126668	502734	280208	523763	893544	572386	453119	223951	438886	349102	365701	544710	1055098	807443	496310	447210	537725	364867	530179	305	390104	527706	280622	483120	405720	387314	425719	401692	307985	470935	259129	353942	355943	512913	578945	667591	287661	476281	3571	560772	522260	381163	323957	332093	507077	344262	566136	309174	447631	307352	1223	376837	560517	Phytochemical	0.4	1.28	0.0
26	C25 H32 O10	493.20682	493.20752	0.07158326	493.20685	24070	23614	29828	26841	32780	22521	10088	28728	36362	67381	21297	13585	54113	16078	26125	25755	10404	43534	44861	58834	71869	30840	28099	29556	18514	34017	7861	20329	20433	19879	29435	21027	23175	23686	76555	22621	29990	21715	14305	41361	22608	12665	0	0	0	38588	25614	0	22462	21156	25463	28817	23132	0	40525	27167	16209	28792	22946	9423	30332	22239	46966	29844	13242	36246	22918	12038	35561	83657	61122	26592	18894	18263	14731	20003	0	18153	31053	15332	24749	18168	16508	20319	29571	19474	24607	13745	19573	14034	25819	29413	38381	16055	25115	0	26499	29622	23764	29493	29470	23991	14885	26081	16842	22054	21415	0	17422	48717	Phytochemical	0.4	1.28	0.0
24	C25 H32 O10	493.20682	493.20746	0.06662084	493.20685	95465	94100	85106	102275	81987	75129	42352	87856	108764	237956	69942	47968	154277	47920	88041	84002	36579	135622	137240	208461	177571	104755	85058	101726	67508	99504	34458	72960	75317	71946	76116	77167	93839	66745	230058	71643	125619	71128	42413	123750	68007	44982	2059	0	0	123518	72281	0	79714	69349	94165	98711	72194	0	142098	77305	45798	94262	74138	27011	82190	76833	142693	105859	33436	106896	62648	39305	90650	227397	148855	81692	72414	73540	41574	68484	0	67207	89559	43128	85816	65899	55740	66992	91540	56469	85325	41865	59779	50433	84324	99494	119855	54052	91814	0	97929	93251	65569	74804	73509	75672	49807	86810	67459	69659	60632	0	54911	162653	Phytochemical	0.4	1.28	0.0
28	C25 H32 O10	493.20682	493.2075	0.08516569	493.20688	10775	8666	9252	10168	11260	8435	3942	9883	12065	33257	10138	4761	22407	5151	6041	10239	4634	13417	13409	26319	28658	11342	9740	11295	6200	16488	4262	8933	7779	7588	6779	7509	10941	6275	29076	10598	10938	4874	5783	12030	8199	5029	0	0	0	11767	9016	0	10121	8583	12010	7951	9839	0	16330	8392	4336	9486	7024	3193	9090	6814	17025	10128	4537	9706	6729	4777	17250	38654	25028	11274	4829	5678	6980	6458	0	3780	10790	6117	7127	5680	6061	6754	11299	5720	12161	6702	6062	4161	7871	14127	13326	6321	8323	0	8611	9234	6138	9940	10010	9122	4822	9874	4943	8522	3381	0	7230	13257	Phytochemical	0.4	1.28	0.0
20	C25 H32 O10	493.20682	493.2075	0.07578461	493.20685	586090	615203	570380	522284	436374	428261	290934	618092	562871	1423052	554683	311304	684546	288513	553557	488840	258271	609140	706667	1263124	1050446	669023	488508	595984	477770	676409	273613	523466	559887	467358	526533	532318	584773	464844	1650105	517641	651191	411692	270644	748589	385358	314695	11751	1387	919	664341	371196	1298	564084	476616	610823	579660	394280	2481	731732	400506	276973	557737	572388	216196	491692	462591	670670	550351	229552	474439	361782	290251	525332	1376823	763831	552818	525723	585866	293700	470022	506	451680	503828	262250	430875	367375	415188	497252	418525	315224	427523	272720	371260	308055	578528	632639	705890	314008	482437	3376	588324	609469	412407	337327	328340	477629	380168	580817	379652	493826	360941	1490	361735	743684	Phytochemical	0.4	1.28	0.0
22	C25 H32 O10	493.20682	493.2075	0.08575683	493.20688	307422	314263	295924	301895	262676	247074	146320	333605	332443	771277	262378	157483	377084	164793	281747	234337	120788	438806	355968	667343	556371	357213	272220	320071	290215	332376	117621	242082	307606	235305	283320	294027	324118	230913	836761	265773	371377	222440	132603	402730	184408	163829	6008	0	844	386786	194551	0	271979	240568	303206	326882	221270	1580	443139	241276	150715	285886	303854	100781	283348	261616	403809	302517	116901	286390	197558	127138	272439	737655	378754	296993	237243	279303	128716	234970	658	226584	278215	122459	232898	215088	198063	221581	244895	178462	227802	142283	188021	149168	301804	376372	384291	163780	285630	0	281517	297011	214731	207604	172916	257452	193070	305350	211154	258893	200272	0	182673	468095	Phytochemical	0.4	1.28	0.0
16	C24 H32 O9 N2	493.21805	493.21875	-0.04225104	493.21805	46861	42431	42478	49682	18095	26848	40664	66625	23192	61312	29679	29838	27345	15969	54107	52015	29398	37303	46269	78036	50343	77297	44747	64807	58371	12329	33058	37051	73408	50958	58908	65967	76222	42342	76802	57527	81721	36894	38483	70957	31038	23692	258	0	0	57323	20856	0	67627	45763	49479	42321	29959	0	38508	17163	18329	65605	67326	25763	52369	42357	27586	23292	15426	32977	31221	38398	12188	30377	19064	55792	50884	51616	31827	53746	0	42275	44415	28077	34961	36061	46901	39951	15540	17953	40475	29636	31373	55755	88579	93729	128801	30369	54683	0	51330	50116	13931	9320	13179	66396	32162	67990	36414	68786	14958	0	41999	33505	Lipid	0.375	1.3333334	0.083333336
10	C24 H32 O9 N2	493.21805	493.21884	0.044972897	493.21808	34056	28833	26725	20970	12666	13183	22281	31572	12276	38933	17191	16864	18637	9213	19455	28522	17655	18725	29294	44202	39547	49569	21041	35720	26260	7457	18996	17578	32892	25485	26778	29559	35883	28024	53001	29416	39266	15097	22963	39479	24800	12822	0	0	0	28365	21613	0	34378	23649	31408	26174	12642	0	19711	10300	7503	32254	24132	15116	29481	18708	14720	14332	6752	18111	18438	22236	0	23426	18596	32892	26359	25493	16069	27481	0	17292	18356	15758	16113	15059	17837	19753	9509	7962	19116	10914	16777	32684	38701	43170	52090	21031	31845	0	25808	31388	9206	9884	9285	30108	18395	39667	0	26125	8798	0	19321	15870	Lipid	0.375	1.3333334	0.083333336
8	C24 H32 O9 N2	493.21805	493.2189	0.06380935	493.21808	21022	21359	23050	21740	6869	9398	13287	23493	10060	30125	12969	9271	13292	2867	15804	19884	10940	10246	17279	33601	25209	41947	15560	28666	17584	5072	9800	9558	19462	15515	18280	27295	25963	17946	37800	18803	23520	13289	14337	33157	15875	8150	0	0	0	27451	14298	0	25091	17607	20179	17788	10013	0	14024	7112	4978	23141	10371	9845	22800	19041	13653	12497	6205	12967	9826	13471	5051	14563	8452	19561	16373	16093	13867	16629	0	10579	16982	14097	12049	8048	10084	13428	4429	6741	14153	8535	11982	25226	19874	37700	36470	16528	24697	0	18126	19364	5044	6586	6562	20081	9064	27965	0	17756	4133	0	16772	12065	Lipid	0.375	1.3333334	0.083333336
14	C24 H32 O9 N2	493.21805	493.21875	-0.00714745	493.21805	45582	46201	41514	44502	16819	25279	35501	57070	21505	68972	28877	25456	21211	10008	48427	48073	29160	24790	30819	73026	67462	85456	48909	54452	52847	14742	34256	31657	53539	43582	39080	53819	69361	47794	86648	60023	61679	34968	34010	57927	29520	27154	0	0	0	48222	27804	0	48613	41536	40891	44933	19436	0	35651	14524	14690	60712	69623	24054	52526	38904	14836	24982	13354	23247	27157	30882	0	43126	11372	43530	43527	50111	29504	46396	0	34237	32895	26828	32928	33761	41286	36641	13379	16055	35512	23927	25503	44187	71934	65517	84632	39002	52379	0	44855	44991	11121	15875	18430	54725	27706	70195	30945	53793	13198	0	38018	26880	Lipid	0.375	1.3333334	0.083333336
6	C24 H32 O9 N2	493.21805	493.219	0.0560908	493.21808	9337	8956	9416	8231	4945	5014	6931	15201	6077	13542	6333	7261	7254	2296	8924	11493	5250	6097	9281	15590	14092	15076	8025	15101	9231	3729	5091	4289	11266	12160	10024	11592	10808	9614	15474	11970	12170	6913	9745	12077	10263	4241	0	0	0	11654	7756	0	10675	8804	12637	12541	4400	0	7558	4449	3309	15344	6388	5086	10616	7967	4545	8119	1710	5983	5702	9366	2470	6491	4101	9332	9886	7696	4769	7547	0	6324	7122	6904	6362	3849	5713	5790	3631	3635	8995	6093	6823	15688	14209	16211	25034	8143	13519	0	9985	10319	2779	4222	3005	11260	6012	16961	0	9897	2205	0	6441	7543	Lipid	0.375	1.3333334	0.083333336
12	C24 H32 O9 N2	493.21805	493.21878	-0.010251018	493.21805	62862	60092	67646	61512	26664	31586	50350	103482	38282	92430	57530	38292	31248	15294	71824	48136	57662	41730	52062	122618	98924	121024	68806	79002	70320	19242	43894	43794	78782	52818	76446	74764	108070	58520	156970	64520	77020	60034	57798	94732	73316	38690	0	512	0	95352	54742	0	79428	62444	64696	73856	39924	0	51642	17166	22902	72554	70396	40768	50930	63732	34392	27530	22144	45706	41640	61544	0	67262	31370	71740	57066	64838	41952	61636	0	60204	59218	37322	50586	39904	61946	46688	23360	24366	64234	25982	34302	100198	76876	111658	143012	51636	72384	0	69414	72766	21630	17924	18750	84412	50726	68622	0	69246	19190	0	53216	37532	Lipid	0.375	1.3333334	0.083333336
26	C29 H32 O7	493.22208	493.22275	0.00976166	493.22208	27612	30063	31089	29718	35049	14935	7736	23232	40263	33839	60019	14062	42579	25027	17999	20407	14125	21263	37952	55490	57529	24050	19520	25972	19936	159669	10920	62285	18290	19016	21483	14296	22599	16113	52311	22187	24293	15310	15861	42436	51309	17584	0	0	0	27486	35962	0	15604	24748	28684	27844	28782	0	28071	37701	19330	20056	17055	13495	25895	32096	25935	21712	14400	33335	26008	19762	164768	110544	151054	12767	14218	16692	10723	16850	0	13946	31504	27521	27099	17032	16926	46814	49805	22782	36976	16780	16148	25424	19184	19574	29325	28472	17724	0	30450	29858	26571	51373	57082	25084	12459	28743	17195	19576	34807	0	18391	26004	Phytochemical	0.2413793	1.1034483	0.0
20	C29 H32 O7	493.22208	493.22272	0.022323651	493.22208	41205	35883	31255	35350	33073	17838	20639	25773	29716	44313	40311	25993	26369	21128	29126	36507	43147	17682	26712	43733	55265	31129	33662	37145	19160	120975	20890	39932	27265	26431	24133	26703	30903	22032	37377	25433	29903	24867	36792	45365	49892	23601	0	0	0	22772	32115	0	24438	20969	36344	36468	21749	0	21206	31289	19989	33494	22505	30618	34461	27198	30427	21544	19891	23829	23225	40483	81166	107335	139874	22944	21819	17306	30208	22292	0	26130	57766	24602	34315	19906	26328	54777	31276	22146	52246	18561	21366	48463	36177	33241	39823	25144	26364	0	42450	36009	26221	39549	37281	32002	20865	36248	21661	30148	32742	0	37887	24979	Phytochemical	0.2413793	1.1034483	0.0
18	C29 H32 O7	493.22208	493.22275	0.002497144	493.22208	14608	14852	12746	9903	6077	3415	9229	11402	11853	13383	12256	11700	3120	5636	11572	11991	17810	4510	9448	15394	13256	10804	14300	16191	10431	31015	10913	13387	7723	9628	10645	15936	16416	6884	13230	10643	7151	13210	23083	15177	15892	6035	0	0	0	6607	14087	0	13952	10546	12338	12202	8064	0	5554	8780	7505	16185	10455	13296	13385	8280	9877	8924	8803	8911	6778	22435	20590	25918	47177	7744	8704	10977	18473	16545	0	6687	28433	7057	20208	6398	9379	8828	16007	7907	15988	7612	8820	25463	11257	15666	18600	5405	9503	0	16143	11251	9565	11907	10401	11775	9221	12924	4314	16529	8123	0	14921	9496	Phytochemical	0.2413793	1.1034483	0.0
22	C29 H32 O7	493.22208	493.2227	-0.001539246	493.22208	68399	61931	48742	59050	61238	37847	33614	48968	57421	86484	94408	38583	52645	37449	41787	68730	51364	44456	56343	99222	89642	51014	52574	55850	37890	256098	32845	91919	44969	36887	40652	50845	50927	37057	103683	46383	52420	37972	56890	76773	103356	42864	0	0	0	52862	58923	0	47271	50010	66730	56833	51789	0	51496	51518	38659	67704	35368	43731	61952	63734	52364	45145	32902	59097	45340	53703	215021	207905	284466	33412	30967	37218	34378	37251	0	37162	80411	46127	59312	35967	37828	80853	71746	39640	80444	44036	41813	67870	47759	49376	61049	50457	54527	0	56599	67745	49444	68543	69868	59290	34991	54008	32443	50362	58410	0	51815	54056	Phytochemical	0.2413793	1.1034483	0.0
28	C29 H32 O7	493.22208	493.22275	0.13440984	493.22214	10061	8730	6376	7698	9644	5760	4217	5978	9283	8519	12597	5382	12307	6360	6406	7741	5729	7000	10917	9515	15254	9372	8896	8445	4414	35069	6321	13607	5522	7841	6525	6579	7278	5744	12468	5217	5740	5136	4850	11405	14056	4487	3075	4609	0	6051	10210	3619	6671	7821	7013	9764	7793	5079	8865	13228	6262	6921	4233	4534	7225	7700	9258	5004	5645	13692	8642	7098	39112	23651	44615	3794	5550	6225	3637	4051	0	4212	8953	10059	9050	9449	6187	10320	15230	5660	10567	4933	5338	5944	5721	6105	7416	6604	5747	5614	8862	6629	9448	20671	18811	5863	5394	6499	3886	6577	9321	4523	6295	6698	Phytochemical	0.2413793	1.1034483	0.0
24	C29 H32 O7	493.22208	493.2227	0.006657588	493.22208	74768	60973	63722	63579	60191	35460	23298	43321	68042	85807	123473	31245	71376	40961	40981	55812	36524	47807	78168	124601	112572	51808	49539	59782	35713	309761	26008	110969	38214	36312	34879	47544	42956	38546	113590	40931	47753	32111	38565	108774	101953	37978	0	0	0	57602	61677	0	45517	42654	65427	57196	46276	0	52975	61545	36879	55261	36148	31166	50538	61287	59354	38166	32154	65206	51734	42320	248116	234834	304025	38486	35258	31881	24653	37402	0	30144	70977	48917	58632	39815	34571	79207	88517	42104	74718	40317	41241	53993	50301	48782	59328	55338	53822	0	63928	59585	51770	75774	79999	54395	30144	62914	40051	44870	54593	0	39140	55801	Phytochemical	0.2413793	1.1034483	0.0
4	C23 H32 O8 N4	493.22928	493.2301	0.20329763	493.2294	1306	1842	2442	1637	365	1575	645	1690	0	0	0	841	0	0	1131	1489	1955	618	1191	0	0	1858	1239	1406	1560	0	0	8179	1567	1127	1144	1120	2242	1975	849	1062	2075	1349	3147	1197	0	764	0	0	0	1369	0	0	0	1652	1361	1521	492	0	633	327	463	1034	1062	745	2324	0	0	778	0	1107	468	2490	0	0	0	1248	1123	1681	0	1201	0	1109	1868	28108	1081	492	1059	490	0	772	1705	422	665	2944	39679	11016	5445	2912	1800	0	1922	1996	0	0	356	2001	0	1059	0	1739	462	0	2031	492	Peptide	0.3478261	1.3913044	0.17391305
8	C23 H32 O8 N4	493.22928	493.23026	0.10137993	493.22934	5787	6268	5299	6840	1576	4131	1713	4674	1441	4233	2671	1681	1118	0	4831	6326	3373	1243	1883	3965	1700	4136	3120	5582	4935	0	2150	18878	3066	3590	3982	5222	5119	4687	3276	3728	7022	3227	3527	2763	1891	2348	0	0	0	4205	1500	0	4651	2797	8914	4757	1314	0	2616	849	1042	6519	2782	1759	6510	0	0	1828	0	3204	1991	3644	0	0	2471	4025	3720	3402	2483	6446	0	3526	4308	90522	1872	1104	2216	0	0	0	5197	1929	2134	5415	173601	73671	10536	11009	3279	0	5789	5849	0	0	0	5455	2183	5027	0	4377	0	0	4388	2168	Peptide	0.3478261	1.3913044	0.17391305
10	C23 H32 O8 N4	493.22928	493.23004	0.15770444	493.22937	5280	5057	3202	4381	920	1938	2955	2990	1100	0	0	3935	1807	0	3259	2902	2263	1774	2002	0	0	3586	3090	3797	4374	0	0	10435	3457	2914	4694	4744	5831	2540	0	4044	4484	2812	2298	2876	0	873	0	0	0	2661	0	0	4728	3355	5610	5365	1164	0	0	863	0	3185	0	0	0	0	0	0	893	1124	1974	3320	0	0	0	2254	2320	0	1157	2703	0	2659	2911	33368	2271	0	2532	0	0	959	3315	1381	1815	5914	198226	53851	7355	7385	3734	0	4044	5713	0	1579	930	3653	1943	4281	0	2750	1042	0	4775	1250	Peptide	0.3478261	1.3913044	0.17391305
6	C23 H32 O8 N4	493.22928	493.2302	0.16015182	493.22937	4100	7578	6287	5845	834	2870	3407	4180	1141	3839	1747	2393	1032	990	3292	7187	2752	1360	1875	2274	1739	3118	2978	4890	3903	0	1816	18594	5763	3705	3090	3707	6111	3108	2239	3165	4049	2762	4029	2380	1505	1971	0	0	0	2792	0	0	4506	3271	4896	3979	1831	0	1118	677	870	5144	1813	2112	4541	0	786	1675	445	957	2722	5107	0	0	0	3695	2220	4117	1683	3738	0	3088	2169	40784	1808	1164	2373	0	543	1128	5255	2005	2608	7253	159179	77180	8464	10355	4346	0	5883	5458	712	416	762	3757	3385	4457	0	4831	499	0	4308	1762	Peptide	0.3478261	1.3913044	0.17391305
20	C26 H36 O9	493.2432	493.24384	0.009207271	493.24323	386418	421889	391567	359659	309093	223847	280240	447496	380437	581724	350912	257964	386306	202075	381293	431634	283193	362482	476462	643820	591852	357844	348536	436521	329486	441512	262406	343420	422928	383086	375916	396606	478517	324686	674701	404369	485062	307040	302639	396784	285115	252201	6960	990	0	309598	247626	1319	442082	356154	401184	400537	275449	1089	485212	314314	227657	428075	354927	217390	407726	264324	405527	367961	198707	339274	266669	316495	349962	708327	545381	353003	365673	421093	326764	381048	298	316592	421913	192562	321951	195778	339934	330458	344511	244848	385964	219095	273404	309052	447362	433372	500678	224308	293195	2519	414677	402800	267045	324744	317657	448059	276408	454289	214373	368150	284449	1067	296269	446925	Lipid	0.34615386	1.3846154	0.0
24	C26 H36 O9	493.2432	493.2438	0.04140605	493.24323	231336	237770	230958	255831	205733	186560	129442	247422	248253	568961	199669	113833	317797	123023	215441	204038	108659	331443	389381	505949	427359	254252	204104	244157	205354	258665	107263	202696	246196	202607	222117	233112	282329	195068	665247	236094	374361	171471	114969	294555	125448	131404	3974	0	0	241312	103899	0	244108	187434	238353	232162	188325	0	390075	202460	118318	245595	235013	74958	226612	171193	319374	244141	103806	247847	168780	103828	208740	616046	304221	215474	205998	218166	101791	196545	0	190998	203650	95213	176930	124253	164965	164628	213917	145958	178382	105418	179493	123911	261204	315585	310322	120057	214325	0	239807	242966	143556	161805	170970	247166	121796	283282	129372	212354	158938	0	144738	346503	Lipid	0.34615386	1.3846154	0.0
28	C26 H36 O9	493.2432	493.24384	0.014804672	493.24323	13305	11239	11086	10789	13240	6515	6013	11861	11166	26838	11647	4703	19809	8012	9042	13112	8609	16397	23698	24399	27016	12229	10469	10927	11036	22170	6962	10806	15440	11551	13773	11424	16208	11283	31515	11473	16013	6921	8311	14336	10508	6910	0	0	0	8332	5161	0	14266	12583	14222	12435	9418	0	19144	10925	6254	13706	6565	4016	15073	6734	14792	10049	4410	15506	12192	7002	21171	38870	32694	9388	7879	10536	8153	9049	0	6260	11351	0	7455	4598	8341	10516	13770	6846	12670	5717	7829	9312	10171	14804	13335	0	8133	0	11373	10966	5750	14730	12781	13478	4181	14426	5422	11139	9315	0	6402	16766	Lipid	0.34615386	1.3846154	0.0
16	C26 H36 O9	493.2432	493.2439	-0.027830232	493.2432	86059	93885	92784	98205	49980	42386	88930	110843	76371	79407	59279	68663	60984	30176	89482	127027	135530	50198	79603	99285	91007	83116	83172	118826	84198	80683	92538	54627	88259	105396	95062	109351	120802	65212	95843	102626	94955	84604	124885	56189	69398	53114	1208	0	0	63798	68201	0	114385	100381	85498	83029	50588	345	88447	67266	47780	102978	68829	79434	103717	38608	77953	63004	45524	57612	60664	125000	60326	82687	97913	66756	84159	120292	118077	98485	0	70940	123109	57653	90287	51446	78897	55284	79877	48046	122930	38017	55715	151087	78743	84251	150549	43294	63044	655	97357	91500	55624	73622	87425	116689	59569	105335	40829	111017	71872	0	96872	69843	Lipid	0.34615386	1.3846154	0.0
14	C26 H36 O9	493.2432	493.24393	0.033489756	493.24323	40634	31815	33814	33146	16369	11662	35110	40803	18227	20111	18534	27648	15972	11295	30411	47619	54337	13948	20890	25592	29359	25282	26126	41227	26247	20864	33207	16515	38598	47154	32138	36948	40274	22570	23017	40473	32672	35171	64045	17959	25004	18829	0	0	0	22126	24301	0	40146	38747	37905	40704	11170	0	22978	16534	18061	47378	30042	36624	49707	12520	22326	17203	15217	16456	15700	59823	15752	20214	26283	18720	26232	40557	52530	35622	0	25429	45507	0	40674	18102	28960	16886	25940	14687	51489	11398	24916	73291	25224	24678	49004	17498	20445	0	34057	38372	16835	26625	32124	40194	27639	35776	0	31861	18957	0	35705	15005	Lipid	0.34615386	1.3846154	0.0
22	C26 H36 O9	493.2432	493.24387	0.042618673	493.24323	472079	473982	441385	469954	385880	317470	272009	476719	453987	915763	406673	237802	448710	226557	435756	409215	248932	562154	600329	917708	770729	459812	413735	492950	414355	482758	228982	412248	530259	413855	456232	488114	564895	390273	977429	494156	604533	366973	278312	548976	255797	257124	7666	0	461	427367	231278	0	462602	393652	454085	441431	323724	1519	652170	376125	240529	465116	456307	171476	449987	340257	511519	465380	201770	422559	311348	277660	379260	984008	559087	414454	391212	431536	245965	393730	356	352811	435012	193568	350692	221907	352230	307840	386887	274248	400476	224035	307873	253870	536332	601783	543519	235922	403974	0	411147	459882	288173	340771	301796	531299	301309	510905	252276	414251	308656	0	309523	557401	Lipid	0.34615386	1.3846154	0.0
18	C26 H36 O9	493.2432	493.24387	0.002352036	493.24323	228490	216361	200746	210101	146723	112526	180992	256659	146903	240309	171088	149028	188091	99622	206900	277212	221382	177024	236801	299340	270839	203384	197109	248224	163325	232401	175160	157906	267217	221806	219053	258120	255166	205320	254035	243087	242604	200040	257613	173982	172198	136873	4238	0	0	168015	146680	0	237237	210352	229900	223537	149291	623	238450	165490	134490	257695	172869	147600	228423	111129	215599	166954	98650	158430	145469	264364	170383	261240	270249	177467	167663	236532	235030	266851	0	160515	270856	124936	209539	120472	188835	136470	204056	136899	257774	117108	148261	240325	222610	243057	280651	113988	166139	856	210584	199005	140943	188122	177777	255685	153559	225455	96469	190911	144495	445	190242	179218	Lipid	0.34615386	1.3846154	0.0
26	C26 H36 O9	493.2432	493.24387	0.005497358	493.24323	70097	56854	57379	60536	57819	41745	23810	69217	70880	108912	49193	26487	100866	43476	54051	63232	34898	82291	105362	133023	105281	59902	56108	62434	49889	78494	21298	48835	72728	58787	57861	57346	70166	52598	151630	66033	98360	45191	33940	75968	40530	30785	0	0	0	60995	31480	0	66311	51965	61491	56774	44472	0	96428	75436	32111	65755	52677	19049	73943	43438	89326	63532	24450	58922	42298	30520	70369	146103	107658	61591	55728	52714	34293	52694	0	44045	55286	24516	45024	28440	42827	43981	63551	36011	46440	29819	42083	30725	69406	72943	87973	37263	54013	0	59933	66529	37283	54291	54183	66069	28795	61665	30868	44191	40012	0	39260	82042	Lipid	0.34615386	1.3846154	0.0
18	C25 H36 O8 N2	493.25446	493.25504	0.15031795	493.25452	5461	5070	8937	6188	4746	0	8106	12214	2512	6827	0	7799	1756	2491	8381	14826	6131	1944	4735	10420	4541	14154	6337	11635	7335	1273	10035	3421	13553	10633	11280	12916	7954	11013	11974	13474	15260	6523	12410	6370	3390	6771	0	0	0	4361	4290	0	10001	10776	11209	6718	2222	0	3804	1766	1345	14908	8731	3569	10138	4555	0	2089	3877	2982	3817	10640	0	4002	0	12354	10576	12234	10947	9144	0	6642	9173	3691	3534	3621	5256	3404	0	1762	10262	4671	6521	17158	17001	18040	20822	3912	4952	0	9665	9061	0	1961	0	14064	6736	15716	4616	11983	0	0	11148	5673	Lipid	0.32	1.44	0.08
20	C25 H36 O8 N2	493.25446	493.25507	0.10902408	493.2545	8141	5101	6165	4727	2575	4013	4265	9298	2228	0	2373	4987	0	3924	8735	13707	6848	5520	4941	6815	4130	6071	6898	12452	10011	2245	4013	2689	12524	6274	8718	14423	16413	9912	7599	16377	16461	5488	10813	6541	2263	3835	0	0	0	5480	2368	0	10248	6597	5484	8362	3438	0	6147	1709	3194	17612	6327	3479	12042	3744	0	3525	2224	3412	3905	7404	0	4808	0	8486	9523	10656	7617	8418	0	3405	7012	3641	2692	3833	11087	0	1467	5477	10972	4560	4671	13174	25177	22022	16434	4943	6608	0	6159	8034	1462	0	0	12688	3979	15197	2295	6748	2878	0	8156	2724	Lipid	0.32	1.44	0.08
20	C30 H36 O6	493.25845	493.2591	-0.003238619	493.25845	24511	21228	17896	24250	19194	7190	20898	19280	14874	10251	14596	19500	9391	7573	19670	25141	43936	8199	15941	14831	18979	15022	14912	20997	16892	24999	19920	10008	15015	17634	17544	16279	20066	11319	10293	19773	19905	17223	40206	15135	27567	14346	0	0	0	13513	12147	0	12799	14388	19343	20162	19644	0	13931	18271	13112	25255	12673	23328	18498	8732	11563	10181	12291	9386	9522	42483	18989	29034	27362	8898	12027	15425	32355	17605	0	14688	37810	17953	24600	8063	21087	16721	27212	10803	43495	13003	12064	48773	21248	14244	23116	16096	12639	0	16416	19523	18604	25201	35413	23769	13856	16437	9170	15744	17736	0	31116	9638	Phytochemical	0.2	1.2	0.0
28	C30 H36 O6	493.25845	493.25906	-0.026918042	493.25845	11822	10048	11468	10367	13304	6202	6574	11297	10189	8420	13858	4946	13964	8270	7638	11846	9319	6985	15748	10536	13133	11128	10974	11187	12738	34360	7298	15677	11359	11169	9753	11535	13735	7292	10221	16897	10470	8757	9561	10488	11325	6955	0	0	0	7573	8046	0	10347	12131	9673	11459	11883	0	12071	18426	7558	12895	8342	5626	13437	6103	9467	8853	5583	16202	10925	8589	30988	24107	31236	6729	5822	10271	4968	8847	0	7350	19991	19563	11808	7875	10106	14239	19803	9200	24180	6705	10046	14761	8761	10942	14792	24071	6137	0	10958	11907	9611	33749	31512	15051	7245	12572	7139	14343	13520	0	10317	6425	Phytochemical	0.2	1.2	0.0
22	C30 H36 O6	493.25845	493.25906	-0.04408271	493.25845	48467	56340	41589	42408	47361	26703	38566	46136	36788	30606	45042	33325	28367	31477	43328	65321	82527	26947	45597	60235	55023	48427	47187	47465	56579	113821	42919	52413	41556	46897	42458	49791	47786	30846	49683	41980	50835	49699	86578	42904	64662	37374	0	0	0	29879	42658	0	41898	48573	57037	53999	43959	271	46751	48812	33704	59098	37295	52331	56900	35858	38144	39363	27252	35969	40414	79353	84079	87708	135942	29348	30062	35663	48278	47294	0	33119	91926	41178	65240	29765	41072	38665	70861	40384	114997	28909	36555	104893	56370	54540	68368	50539	42837	0	43031	50759	39658	74454	69935	58729	37019	57836	21113	57873	59118	0	66530	24552	Phytochemical	0.2	1.2	0.0
26	C30 H36 O6	493.25845	493.25912	0.003818002	493.25845	59916	55631	57008	61380	61661	28950	29922	71528	53695	40271	80731	37954	64141	43078	49863	74686	52098	38783	64301	76306	71992	52624	50948	67211	53946	196134	37386	81146	53718	56875	53879	58848	63708	40512	55517	68469	65600	48062	50630	60020	78327	54293	0	0	0	47556	39114	0	56996	55985	60795	57681	55931	0	57996	72878	39373	63271	48309	37675	70551	53561	45533	43122	27305	58936	68932	55021	182511	119607	153676	43527	38061	50723	38132	45677	0	36182	81626	88007	55921	38176	43156	73258	70051	39719	101658	40773	38561	72569	53213	50617	78989	90934	53303	0	54963	69448	46920	101177	109736	84076	38096	66103	33875	57375	50568	0	68292	39328	Phytochemical	0.2	1.2	0.0
6	C24 H36 O7 N4	493.2657	493.2661	0.18829171	493.26578	0	0	0	0	0	0	0	0	0	0	3168	0	0	0	0	0	0	0	0	0	0	0	0	0	2118	0	0	15099	0	0	2145	0	2331	0	0	0	0	0	0	0	0	1353	0	0	0	0	0	0	0	0	2379	1905	0	0	0	0	0	2316	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1965	0	112143	0	0	0	0	0	0	0	0	511	3900	106275	51052	0	7491	0	0	2055	2307	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.5	0.16666667
10	C24 H36 O7 N4	493.2657	493.26645	0.07998675	493.26572	4575	5889	7017	3868	0	6530	0	0	0	0	2413	0	0	0	0	0	0	0	0	0	0	0	0	1488	0	0	0	51994	0	0	0	0	1932	1023	0	0	1375	0	0	0	0	1146	0	0	0	0	0	0	0	0	6740	4211	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	280972	0	0	0	0	0	0	0	0	0	0	538403	169218	0	21375	3144	0	6286	4482	0	0	0	0	1383	0	0	0	0	0	1027	0	Peptide	0.29166666	1.5	0.16666667
16	C24 H36 O7 N4	493.2657	493.26627	0.16155165	493.26575	0	0	2219	0	0	0	0	0	0	0	1713	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1952	7602	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56150	0	0	0	0	0	0	0	0	0	0	391694	80061	0	10070	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.5	0.16666667
8	C24 H36 O7 N4	493.2657	493.26645	0.29906604	493.26584	1214	1512	1747	1335	0	5508	0	1000	0	0	0	0	0	0	721	1371	0	0	0	0	0	0	0	0	1112	0	0	13753	0	0	1266	0	1440	0	0	0	1489	0	0	0	0	0	0	0	0	0	0	0	0	0	821	1417	0	0	0	0	0	0	0	0	0	1199	0	0	0	0	0	0	0	0	0	989	878	0	0	0	0	0	0	107230	0	0	707	0	0	0	0	0	0	0	86653	25382	1760	6126	998	0	1723	1767	0	0	0	1349	0	0	0	1307	0	0	676	0	Peptide	0.29166666	1.5	0.16666667
12	C24 H36 O7 N4	493.2657	493.26636	0.09255296	493.26572	7093	7750	7807	5326	0	8098	0	0	0	0	6653	0	0	0	0	0	0	0	0	0	0	0	0	0	1251	0	0	86878	0	0	0	0	2572	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6138	5331	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	403434	0	0	0	0	0	0	0	0	0	0	692902	368253	0	51706	4607	0	7781	6219	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.5	0.16666667
14	C24 H36 O7 N4	493.2657	493.26633	0.13965802	493.26575	7629	9389	8043	6500	0	0	0	0	0	0	3333	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40516	0	0	1161	0	1373	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6205	5370	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	269820	0	0	0	0	0	0	0	0	0	0	1319368	317895	0	29882	3686	0	8422	8972	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.5	0.16666667
16	C27 H40 O8	493.2796	493.28033	0.05891237	493.27963	4650	7113	5809	5473	4492	4359	12129	6154	6377	3489	4286	5921	4635	2510	6092	8911	14514	3641	4858	1790	4320	2174	4814	4695	5768	2135	13968	3161	7810	14793	8077	14250	4545	4699	0	7632	6216	5524	26299	0	1828	3290	0	0	0	2178	1682	0	7067	7163	10436	10749	3293	0	5089	7814	2710	10335	2892	6761	8587	1371	4635	4367	3209	3684	4321	27451	0	0	0	1273	5856	12708	16896	12927	0	6195	7768	3483	6397	0	5462	1333	8982	4785	17936	1872	4883	0	3453	5443	0	0	0	0	2975	5049	3845	9497	11082	13024	5941	2579	0	11884	7850	0	7996	1860	Lipid	0.2962963	1.4814814	0.0
28	C27 H40 O8	493.2796	493.2802	-0.034987118	493.27957	14973	13358	14988	14238	13220	5681	18717	13437	16104	14228	10755	6395	16108	10749	9731	11443	11387	13812	26236	15895	14491	13168	10320	12473	15087	13604	18646	13271	18202	16122	12231	15643	25227	15457	20307	19273	23383	9105	13627	12593	7208	8469	0	0	0	9826	3711	0	18829	10809	14106	11735	9930	0	25444	17021	6273	19274	13282	5211	14116	6820	17925	12955	6210	19433	14724	13129	11109	22611	20845	8907	10942	12245	8144	14549	0	7762	12639	8096	8898	8691	14737	10924	17033	11030	19506	8648	10451	11017	20830	27234	14553	7750	9252	0	13024	11632	7435	18990	22475	24941	7796	26151	8082	11459	10410	0	9158	15411	Lipid	0.2962963	1.4814814	0.0
18	C27 H40 O8	493.2796	493.28024	-0.04449484	493.27957	29854	28407	24673	23333	20444	14885	34872	37839	21160	7789	11926	20300	15499	15913	23813	40449	57367	13952	30201	20769	12405	14369	18888	23493	20618	13978	42158	12017	34113	36656	35008	44174	33021	22565	15572	45625	29435	28257	66542	7127	15421	16927	433	0	0	12332	14783	0	38547	31171	27612	30517	23578	0	34778	27223	16100	38449	13918	24161	33963	4872	29553	22946	14568	15342	19133	64223	11688	15374	15065	14481	21177	45499	55441	34528	0	19542	32295	15061	27764	12756	23777	11085	39537	28870	42250	14590	20692	49890	24314	20933	31887	7969	8649	0	32018	20738	21118	41344	50191	48505	22453	25974	4924	23557	28376	0	22961	17835	Lipid	0.2962963	1.4814814	0.0
24	C31 H40 O5	493.29486	493.2954	-0.06566348	493.29483	26589	25168	20493	22934	15358	9941	24787	25485	22254	6246	19367	20851	9695	19931	26498	44367	56783	12320	25386	22537	13937	13968	18720	25267	31596	29089	23785	21601	23082	31053	23151	24631	29387	12323	14514	31256	31703	21609	55960	17223	20847	20796	0	0	0	12137	10975	0	21890	32226	26112	25519	20103	0	25456	24743	19019	30198	18764	21417	29217	12712	12031	17586	13614	16461	17397	62042	26107	16399	35576	10076	9181	25160	31526	26491	0	20049	39136	19565	32504	13286	22833	14050	30831	27277	41980	15913	17081	51101	14643	18907	26481	15040	11328	0	20470	22392	21071	33026	37070	37165	19132	26875	10091	25806	23667	0	33984	9241	Phytochemical	0.16129032	1.2903225	0.0
22	C31 H40 O5	493.29486	493.29538	-0.0753795	493.2948	4987	7366	4083	6874	3729	1138	11533	7686	7335	0	2350	10089	0	0	10818	13289	28183	0	4580	0	3302	3472	5978	5808	11767	4702	11081	2324	8390	8425	6294	6040	8891	3369	3179	8035	9280	8929	29217	1778	5855	5130	0	0	0	2178	2704	0	8284	12391	8342	9529	4119	0	8273	7404	7348	9278	6150	9713	4782	3702	0	3611	7968	1499	5784	36266	2128	3402	5913	2224	3668	8618	14649	9899	0	4569	14611	4012	10926	4375	7392	3187	9143	5149	20566	4157	3666	27354	7921	6766	13348	3664	0	0	8508	5989	8103	14907	9433	9926	8106	8955	4228	6399	6455	0	14504	2495	Phytochemical	0.16129032	1.2903225	0.0
28	C31 H40 O5	493.29486	493.29544	-0.038562752	493.29483	14936	9741	10143	9507	9388	3007	17594	15238	7881	2717	10107	6818	7605	4993	10118	10539	15138	3829	12419	8122	5485	7704	9421	9870	14011	21206	99890	12526	48685	14924	14313	10984	17204	7097	4236	19687	16623	13095	13655	8179	5782	17803	0	0	0	4995	0	0	13862	13876	9247	11512	10499	0	11950	18567	5862	14121	8564	4270	11587	4782	6745	7625	4534	8346	8085	17887	14895	11356	12166	5123	128924	13258	6298	10578	0	7628	16877	9736	10158	5306	18647	9392	19633	6139	21876	4551	4918	12323	8032	9507	10837	9676	3097	0	10439	10142	9177	25575	24726	23870	9314	13215	6029	13800	15433	0	14212	5245	Phytochemical	0.16129032	1.2903225	0.0
10	C25 H40 O6 N4	493.30206	493.30255	-0.17167024	493.30197	0	0	0	0	0	1359	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	90435	0	0	0	0	0	0	0	0	0	0	64672	15999	0	990	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.24	1.6	0.16
12	C25 H40 O6 N4	493.30206	493.30283	-0.09282291	493.302	0	0	0	0	0	1287	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39942	0	0	0	0	0	0	0	0	0	0	102672	44623	0	3208	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.24	1.6	0.16
16	C25 H40 O6 N4	493.30206	493.3022	0.36825323	493.30225	0	1448	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2242	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18095	0	0	0	0	0	0	0	0	0	0	228957	38527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.24	1.6	0.16
14	C25 H40 O6 N4	493.30206	493.30234	-0.13514455	493.302	0	0	0	1709	0	1514	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47965	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	142058	0	0	0	0	0	0	0	0	0	0	266678	65491	0	0	1451	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.24	1.6	0.16
28	C28 H44 O7	493.31598	493.3166	-0.017025473	493.31598	12379	9762	11729	11798	11717	6114	41919	12048	12255	5425	8056	3968	8652	11249	9440	14483	21864	6259	19161	8953	5651	6078	8415	9765	22079	5497	31771	19847	20035	14198	11775	16383	26469	11614	7970	20510	20009	11136	23457	7003	4168	7474	0	0	0	6255	2587	0	12439	11945	12265	11034	10543	0	22284	13185	8720	18806	23975	5257	14438	11151	10230	11069	10612	16213	17269	26573	5702	7980	2940	6038	8968	20109	8183	12827	0	9432	15458	9902	8556	8964	14718	10322	23680	13717	23910	6609	11271	11361	22274	19618	11280	8655	4128	0	12254	11508	6856	19060	26067	29620	5196	16503	22528	14011	16468	0	12325	8874	Lipid	0.25	1.5714285	0.0
22	C28 H44 O7	493.31598	493.31656	-0.063306764	493.31595	13250	15044	12651	14067	20893	7474	37728	15027	15780	4105	5015	9783	10455	19346	12953	24608	43688	9553	15155	4079	2579	3029	10676	11072	18784	6015	33285	6928	21558	20532	18124	20053	20192	10706	4556	26406	19322	13311	49230	1594	5571	7282	0	0	0	2618	3752	0	20125	14904	14436	13501	15798	0	17781	15887	9635	27637	7823	8171	20564	2905	11303	12822	12585	8507	17511	53286	0	4784	6989	8235	9417	20513	40361	20050	0	6874	18196	8323	9666	6524	24478	11572	28370	20801	30404	9223	10202	35724	12719	11416	13740	2602	4877	0	16571	11596	10303	32383	28993	30908	6449	10421	5148	13216	25143	0	16325	7827	Lipid	0.25	1.5714285	0.0
24	C27 H44 O6 N2	493.3272	493.3278	0.10482302	493.32727	0	0	0	0	0	0	9191	0	0	0	1615	9114	0	0	27172	0	0	0	0	0	0	0	0	0	1814	0	10650	0	0	0	0	0	1650	0	0	1175	0	31163	0	0	0	0	0	0	0	0	0	0	0	1784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1527	0	0	0	0	0	1962	0	2240	0	10636	0	0	0	0	0	0	0	0	0	0	0	2384	0	0	0	0	0	0	0	0	0	0	0	0	12043	0	0	0	0	0	0	0	Lipid	0.22222222	1.6296296	0.074074075
24	C29 H48 O6	493.35236	493.35266	-0.101804204	493.35233	3565	4247	4373	3959	0	0	24100	6178	0	0	2285	2293	0	3509	1909	16641	37021	0	0	0	0	0	0	0	6062	0	18692	5143	5388	10725	6640	11146	4878	3617	0	12953	3298	1362	34314	0	0	0	0	0	0	0	0	0	7551	5408	2252	2560	0	0	0	0	1975	12798	0	1990	10209	0	0	0	2561	0	4200	40945	0	0	0	1595	2817	22624	51503	9642	0	2398	2832	0	1210	0	5362	3418	1199	0	8751	0	967	13150	2683	1587	1663	0	0	0	3983	3360	1386	1973	0	9714	2888	0	0	11186	1729	0	4037	0	Lipid	0.20689656	1.6551725	0.0
28	C29 H48 O6	493.35236	493.35303	0.15839487	493.35245	3681	2965	2809	2250	1038	1709	57921	8620	0	0	3457	823	0	8325	0	10780	7856	0	0	0	0	1403	0	1825	5045	4219	38780	6180	6384	6537	13933	38273	5053	5130	0	8766	3096	3724	9872	0	1754	2689	0	0	0	0	0	0	4321	7845	3348	2701	0	0	3795	2751	2429	8705	7720	2729	8322	2755	1580	1163	4667	1458	4442	7209	2360	971	0	2034	2641	24897	4303	5005	0	1408	2534	6110	1135	2721	5047	6285	2473	3603	10895	926	2615	3449	6963	3797	2939	2181	0	0	2333	2886	2085	2750	7141	5825	2394	5488	10559	4719	2358	0	3993	0	Lipid	0.20689656	1.6551725	0.0
26	C29 H48 O6	493.35236	493.35284	-0.03235306	493.35236	16293	15195	18767	15168	2143	0	104547	27141	0	0	10368	5531	0	18327	0	68290	306956	0	5117	0	0	0	0	0	17046	5961	92486	14005	27053	37977	22701	36464	23233	9672	1379	45560	30034	7380	256161	0	2701	6934	0	0	0	0	6535	0	24690	15907	15813	18806	3078	0	0	0	4979	75422	4668	6901	44235	0	2212	0	12038	3925	13891	231589	0	2682	3685	4006	6727	140271	145680	32198	0	7793	6518	7831	3535	5208	13945	16863	0	0	19281	3155	3609	23725	12519	8393	10174	1972	0	0	15820	20582	4949	4363	0	29195	6007	6885	10570	50122	0	0	31375	1867	Lipid	0.20689656	1.6551725	0.0
28	C30 H52 O5	493.38876	493.38895	-0.010530856	493.38873	0	0	0	0	0	0	21550	0	0	0	4501	0	0	2170	0	0	0	0	0	0	0	0	0	0	0	2671	15908	2208	0	0	0	0	0	0	0	0	0	1454	1293	0	0	0	0	0	0	0	0	0	0	0	0	1031	0	0	0	0	0	0	0	0	0	0	0	0	1335	0	0	1541	2947	0	0	0	0	0	0	0	0	0	0	2382	0	1137	0	952	0	0	2107	0	0	0	0	0	0	805	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.16666667	1.7333333	0.0
18	C21 H19 O13 N1	494.09293	494.0937	0.18075433	494.09302	15357	19851	12873	13027	26407	12181	2901	0	35758	13845	11342	6288	65979	8849	3423	2387	4084	44946	30352	15366	26044	51868	12116	3886	1947	0	2543	3388	0	2204	0	0	4127	0	24651	0	3428	6499	2590	13501	25461	12300	836	0	0	43485	86469	348	1532	1776	16571	12702	21327	0	44606	41530	15345	2249	3092	4958	5628	26052	64985	39688	12173	27567	11546	3414	4774	2295	7893	0	1693	0	2842	4586	0	3101	7898	48107	9970	44146	2307	2352	44380	20257	3563	12732	10117	5257	0	0	6185	50837	44352	0	12107	16542	35518	31501	31727	4806	2765	3092	58275	7081	31431	0	0	52430	Phytochemical	0.61904764	0.9047619	0.04761905
20	C21 H19 O13 N1	494.09293	494.09366	0.17317313	494.093	10484	13744	12542	9250	21955	10833	1239	3160	22210	5791	7411	1840	48689	9436	2909	2155	1502	32386	24065	5256	16899	31157	6371	3895	1804	1219	1846	0	0	0	1571	0	2115	0	8550	0	2540	5370	0	10654	10630	3172	1475	0	512	30465	67056	1035	2423	0	13335	9977	14621	255	31201	32580	8529	1960	3080	3695	3276	11915	35443	27235	10491	19588	6349	0	5112	2904	3315	1425	0	0	0	1744	563	1684	5388	26679	5406	37188	0	0	28524	14620	4856	5220	7530	1771	2445	5632	2313	35708	27282	0	12458	11978	18771	20795	25651	1736	1960	2062	50365	2041	22995	0	1633	38966	Phytochemical	0.61904764	0.9047619	0.04761905
12	C21 H19 O13 N1	494.09293	494.09384	0.24017751	494.09305	4211	10037	9095	6038	16023	4943	0	0	24085	11102	10526	3014	24240	2575	1641	3112	2368	13335	17832	9786	24597	36755	5045	2577	0	0	0	0	0	3285	0	0	2844	0	20932	0	2755	3432	0	7041	19289	5502	0	0	0	9911	56858	0	0	2082	6725	7677	7438	0	22992	18330	7581	0	0	0	0	12108	48043	25301	7612	21303	5012	0	0	1675	2516	1292	0	1259	1506	1037	0	1521	3286	19428	3372	13935	984	1372	21649	5813	4790	4925	6162	4266	2452	2554	0	44700	15011	0	9739	9518	22543	22636	24346	2540	973	0	37996	2570	17310	0	0	35975	Phytochemical	0.61904764	0.9047619	0.04761905
14	C21 H19 O13 N1	494.09293	494.09375	0.17229196	494.093	10467	13980	10215	18681	30259	13386	2452	2633	31842	18040	19119	4352	68931	8537	4007	2772	4521	30921	23893	17088	43073	68563	9063	4267	0	0	2430	0	0	1573	2197	0	4541	1369	32816	0	4062	3364	2200	12359	37945	13237	0	0	0	31764	97129	0	0	0	15710	14595	13364	0	34231	31680	10594	2058	0	0	0	22706	68214	40517	10304	31414	12490	2557	0	2679	9796	2154	2001	1916	2001	3047	0	1816	6811	43693	6461	31690	0	3711	42434	11616	5531	12485	9758	7411	0	3110	4832	79698	38781	0	10723	20183	29063	38642	38622	5722	4549	4156	73733	5726	26231	0	1455	47759	Phytochemical	0.61904764	0.9047619	0.04761905
28	C21 H19 O13 N1	494.09293	494.0936	0.061215874	494.09296	5632	6170	5941	4996	9489	4338	1206	0	10287	8306	2560	0	21617	2184	2351	0	0	16595	9485	9306	11584	13948	2932	0	0	0	0	0	0	0	0	0	0	0	13128	0	0	0	0	4589	6017	0	0	0	0	16348	34056	0	0	0	5381	5176	5409	0	14207	7339	2719	0	1018	0	0	6126	19261	8435	2809	8955	2920	0	4216	2827	3210	0	0	0	0	0	0	0	3682	7113	3947	12887	0	0	11082	4091	3074	2677	2360	1788	0	2517	0	12993	12511	0	4884	6564	8422	5840	5912	0	0	0	23619	0	8019	0	0	21326	Phytochemical	0.61904764	0.9047619	0.04761905
26	C21 H19 O13 N1	494.09293	494.09363	0.08445657	494.09296	3051	3608	3846	4551	8202	4899	0	0	7623	6500	0	0	18930	2369	0	0	0	17432	8496	6341	7288	10650	0	0	0	0	0	0	0	0	0	0	0	0	7143	0	0	0	0	3202	4086	0	0	0	0	12360	28284	0	0	0	4623	3145	6409	0	8829	8478	3073	0	0	0	0	6373	21378	10026	0	12535	3927	0	0	0	0	0	0	0	0	0	0	0	3598	6135	4550	9435	0	0	13333	0	2185	0	2236	1869	1523	0	0	12632	13971	0	4906	5522	7338	5442	9550	0	0	0	20459	1285	5851	0	0	24884	Phytochemical	0.61904764	0.9047619	0.04761905
16	C21 H19 O13 N1	494.09293	494.0937	0.15766376	494.093	13548	12623	18293	18546	33088	16849	1872	2161	34239	24606	15838	5508	78264	9566	6133	4027	5660	45896	41945	17982	34634	60079	10961	3821	1400	1730	1583	6348	1715	0	1685	0	5619	0	29423	0	4311	4779	2584	10945	31925	11732	602	0	0	35581	93531	626	2960	1935	16954	22367	17400	0	39325	40481	16792	1962	3056	7439	0	22599	72526	38636	15693	40088	10980	5528	11543	1983	9866	1821	0	0	3606	1532	0	3113	9164	50554	10172	47488	2926	3113	44510	13990	7581	14570	11644	0	0	3909	0	70547	52605	0	17099	21521	37152	35407	34333	4520	2683	5445	55130	0	31603	0	1255	53193	Phytochemical	0.61904764	0.9047619	0.04761905
22	C21 H19 O13 N1	494.09293	494.09366	0.15243377	494.093	6356	4654	7062	4911	11672	9312	0	0	15799	6308	4444	1305	34109	4916	4936	1726	0	20886	6612	5203	10024	19880	4571	0	1249	0	1042	0	0	0	0	0	2754	0	4543	0	1759	1990	0	6689	5878	3729	0	0	0	20411	47454	0	0	0	5501	6354	9673	0	18321	22688	5538	2607	0	0	0	12166	25373	22565	3771	10143	2830	1268	2910	0	3585	0	0	0	0	0	587	1859	4135	13685	3690	21847	1449	1168	25666	9186	4020	2320	3410	2509	0	0	0	23415	16104	0	4896	9021	12439	14377	18353	1834	1899	2062	35775	1526	15634	0	2227	24155	Phytochemical	0.61904764	0.9047619	0.04761905
14	C20 H19 O12 N3	494.10416	494.10507	0.2238382	494.10425	4823	6032	4616	3427	10637	6624	0	1824	11725	10554	3590	2441	16935	2428	1430	0	0	13262	10259	4522	9593	12496	3016	0	0	0	1138	0	0	0	1405	0	2022	0	20732	0	1921	4127	1537	3712	6198	1509	0	0	0	11815	21444	0	1871	0	0	0	8218	0	7406	10446	4367	0	0	0	0	5554	28428	12400	4295	16645	3759	0	0	1532	2715	0	0	0	0	0	0	916	6463	0	6163	16233	0	0	15983	0	4634	1897	0	0	0	0	2136	18693	9866	0	7116	3141	9225	16901	8930	0	0	0	0	0	9379	0	1485	19957	Peptide	0.6	0.95	0.15
14	C18 H23 O15 N1	494.11404	494.11487	-0.013635069	494.11404	0	0	0	0	8113	2981	0	0	9285	0	0	0	23098	0	0	0	0	7076	9346	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2796	0	0	1944	0	0	0	4134	0	0	0	0	0	0	0	0	0	0	5185	0	12378	15030	3384	0	0	0	0	0	17259	9181	3888	6371	3764	0	0	0	0	0	0	0	0	0	0	0	0	0	2049	0	0	0	9776	0	0	0	3334	0	0	0	0	0	0	0	3772	0	6864	7165	9758	0	0	0	0	0	6163	0	0	17737	Phytochemical	0.8333333	1.2777778	0.055555556
18	C22 H23 O12 N1	494.1293	494.13	0.11607733	494.12936	67491	70917	59703	68760	66516	54761	16404	32772	78842	156044	66681	22828	134465	34670	36896	38506	17403	116466	108354	144111	153675	151488	48168	38369	32023	35328	16193	34185	27355	27089	24564	31447	41354	29057	197408	22914	38345	32205	12247	103085	75179	34856	3110	362	0	201045	203790	428	27881	28124	63812	66834	45923	0	114775	71341	37017	28218	31655	23704	29798	99975	135425	85744	32146	74243	47749	16191	51460	55116	61097	33594	23734	23738	21877	17174	281	28910	33527	88481	35787	158252	19055	45901	82018	53172	36501	32749	37861	19836	21698	45205	53489	120007	174325	742	62237	71151	70564	51554	70995	49165	20515	36308	155795	28375	62864	0	24857	108250	Phytochemical	0.54545456	1.0454545	0.045454547
12	C22 H23 O12 N1	494.1293	494.1301	0.11963702	494.12936	51202	55536	48176	60964	45339	27535	19013	25390	57658	118042	87227	23370	80137	20548	29517	29030	27556	65156	72896	114330	143477	146803	36703	29673	12630	23556	18856	38505	28843	20104	28863	24225	36700	25059	190022	21465	31231	30539	22905	100350	138319	26948	816	0	0	112395	218928	0	23565	32395	52994	53788	34635	0	86349	47357	24752	31661	23228	39430	18730	85525	103374	61384	19828	59642	29835	34561	50556	39993	70355	26364	22547	16781	24791	22955	0	23743	37199	92884	31586	91510	19783	38007	63901	26451	31391	21797	28803	32198	14911	33834	35441	131541	103754	0	54103	62181	51985	48054	49216	35214	21894	37781	137051	32966	44875	0	15602	93187	Phytochemical	0.54545456	1.0454545	0.045454547
10	C22 H23 O12 N1	494.1293	494.13013	0.13228787	494.12936	36052	29686	28096	33849	25361	17303	13412	16973	34890	78183	52825	14062	48950	11024	13016	18609	18715	36626	33737	62718	80256	72397	21234	21370	6660	11834	9915	13241	10286	15116	14338	15928	21311	13556	90180	17615	19701	12948	17297	44708	75855	16155	0	0	0	55838	107487	0	16315	16572	26582	26264	15162	0	44173	27022	15082	20048	11940	20848	15693	38800	53885	36800	11471	30707	18990	18629	36489	26139	36495	15980	13624	11111	12719	12929	0	10727	20661	32734	15353	42983	10877	18090	35164	19446	14411	16580	14915	17572	8273	15578	24701	65264	59674	0	33884	26230	30441	28354	33597	17132	12209	19072	75454	17780	24417	0	10615	46155	Phytochemical	0.54545456	1.0454545	0.045454547
22	C22 H23 O12 N1	494.1293	494.13	0.1357319	494.12936	12531	14637	14486	17193	20867	20350	2353	4435	27349	48605	11362	3795	49820	8356	7496	4579	5081	41142	22464	38209	45309	37282	8676	5823	5389	6820	4744	6163	7032	3577	2110	0	3961	4720	32996	3646	5123	4919	2772	25228	19932	7855	0	0	362	75631	110670	0	3470	4198	18738	16250	18556	518	35828	25622	8654	5328	6067	2186	5462	30580	35901	29891	10683	22005	9551	2051	19159	20510	18541	3780	4025	2848	3530	2672	565	4241	10098	25364	10579	61906	1940	14148	32262	18726	4879	3108	6848	4064	6262	10805	8647	36141	48376	0	14715	21078	22705	23695	24810	2737	4097	6560	71566	8903	17469	0	4393	43692	Phytochemical	0.54545456	1.0454545	0.045454547
16	C22 H23 O12 N1	494.1293	494.13007	0.10650578	494.12936	78844	70341	76466	81464	79353	58277	23077	38480	100698	199159	97450	26702	165659	33159	50055	42150	26399	117476	133766	172189	201232	202581	63009	48878	30273	45025	22830	45247	35191	28546	30418	26570	49450	29514	256125	33787	45075	36879	31089	134988	112282	37868	2602	0	270	211372	260681	0	42859	31900	75515	90737	58760	387	132116	87250	37769	33582	46391	25448	57290	103155	154928	97878	36683	96978	54376	29468	66499	69751	76274	36255	30373	31429	25594	29655	292	29969	49907	137324	34518	185483	26982	53867	104345	50015	37504	38907	40499	0	33043	64231	66418	157986	214067	453	75163	92476	71713	72946	73505	48096	30033	42631	204830	49611	75210	0	28283	133677	Phytochemical	0.54545456	1.0454545	0.045454547
28	C22 H23 O12 N1	494.1293	494.1299	0.10941257	494.12936	5980	4420	6464	5624	5158	3736	0	0	6328	16920	3664	1059	12350	2435	0	2621	0	10208	6438	15312	16594	9843	2377	3972	0	5369	1251	2243	0	0	1555	896	2651	0	20664	0	1821	1636	1493	7714	6054	2826	0	0	0	24292	31551	0	1615	0	5406	4747	4158	0	10620	5316	2968	1514	1197	1308	2138	8299	10669	6521	1427	7166	2804	1432	7552	11930	10700	1011	0	0	0	944	0	1320	4216	5850	2938	15060	0	5425	8062	3237	1924	917	2278	1193	1886	2678	3452	9341	15465	0	4767	7085	4745	3009	4594	0	1083	2340	20186	2082	5468	0	0	10711	Phytochemical	0.54545456	1.0454545	0.045454547
14	C22 H23 O12 N1	494.1293	494.1301	0.1161595	494.12936	71810	76681	67200	70265	70968	52166	22751	38053	79804	175917	111040	31775	135017	35035	36871	49535	31141	94359	100384	159534	192823	208098	49254	48866	25866	43962	23664	46397	32506	34722	25597	40977	39233	28637	234743	31082	45391	38285	33346	121316	152868	43124	0	0	0	179634	283530	0	29355	34094	77710	60078	54114	0	117145	68007	32225	48357	57234	37671	48540	113028	136768	89058	31979	84104	47477	33044	93376	59284	76873	38278	28845	30114	35016	29676	0	31234	47187	141170	40954	143849	27517	54242	75510	52485	40999	35356	38989	36222	41972	51339	71219	166854	172227	0	83814	84222	63345	62157	63249	47972	30523	54333	270882	33872	59791	0	25577	104148	Phytochemical	0.54545456	1.0454545	0.045454547
20	C22 H23 O12 N1	494.1293	494.13	0.09138195	494.12933	39925	29075	33553	31420	44954	34576	8933	20717	48324	76860	31891	8767	88443	18851	21313	14760	6300	73586	66576	80935	83664	85632	25665	21678	14234	24499	6557	19076	11351	10120	11109	10482	10017	9412	90903	7231	13093	16700	4946	65416	44041	19150	1622	0	307	124177	165950	0	12545	9093	32697	34618	34571	522	72372	47239	23103	14476	16897	9173	14467	53169	71463	50255	18834	50942	23340	3972	32214	32405	35983	11362	6271	6594	5789	6810	348	12397	27901	59448	17812	97960	8558	21917	58455	35258	17862	20870	19456	10292	12706	20844	30005	74371	92476	666	36024	43837	44546	38279	44522	16697	8536	22801	126781	10757	44101	0	11469	94488	Phytochemical	0.54545456	1.0454545	0.045454547
24	C22 H23 O12 N1	494.1293	494.12994	0.09664116	494.12936	15566	16466	16958	14444	22906	20306	2362	5748	27668	46102	9550	3490	47542	9202	7702	5500	0	31462	31132	29548	50256	34530	7970	8080	3848	7596	2882	4330	5886	0	2598	2286	0	2006	47448	0	6156	4396	0	25720	23602	5048	0	0	0	67276	99246	0	2414	0	15822	11632	18322	0	29652	25382	10170	3138	4326	2476	0	25380	38122	25730	9486	23344	7962	0	17718	18416	19439	2108	0	0	2698	0	0	0	10458	26904	9612	51612	4358	12200	29324	15964	13170	6694	4278	4014	4820	4560	10854	37822	58498	0	14704	22314	15764	24542	17640	5186	1582	6974	64554	5854	26144	0	0	43384	Phytochemical	0.54545456	1.0454545	0.045454547
8	C22 H23 O12 N1	494.1293	494.13022	0.1463927	494.12936	13590	13390	10816	12871	19154	5913	3510	7102	17476	34700	24573	6470	27884	3031	4526	6597	6948	12771	16612	21982	41008	38442	8832	6437	2128	5140	3117	7734	4811	6686	7194	4429	5977	3913	41617	3713	6133	5220	8759	17237	34444	7049	0	0	0	22021	39570	0	5035	5157	11875	10949	7962	0	21225	13218	5449	6619	3770	13170	4187	16427	36600	20440	6808	15898	10154	10027	11818	8605	22157	6562	5284	2660	10223	5209	0	5115	12109	12886	8039	17105	2780	5123	17832	4499	16069	7605	4611	21098	0	0	18451	22742	28130	0	11064	12407	12495	17980	21513	8258	6039	12347	17434	7823	13941	0	7321	26207	Phytochemical	0.54545456	1.0454545	0.045454547
26	C22 H23 O12 N1	494.1293	494.13	0.055813797	494.12933	4905	5844	4876	4842	6621	5923	0	0	8880	18517	0	0	18639	0	0	0	0	16315	8219	14145	14424	14053	0	0	0	0	0	0	0	0	0	0	0	0	14308	0	2785	0	0	10887	9292	0	0	0	0	24734	37770	0	0	0	4648	5156	5321	0	9078	8143	3271	0	0	0	0	8055	14751	8316	0	6286	2815	0	7016	11825	9900	0	0	0	0	0	0	0	3418	12422	4588	18161	0	4745	5181	0	1781	2523	0	1457	0	1943	0	10490	21503	0	5679	5710	4811	6487	0	0	0	0	19617	2040	5931	0	0	16880	Phytochemical	0.54545456	1.0454545	0.045454547
14	C21 H23 O11 N3	494.14053	494.1413	0.08070392	494.14056	8826	9095	13515	0	6400	0	6423	9693	9061	7906	4726	10189	18315	0	9376	12015	11461	13243	11643	10011	8748	22291	13025	11404	5073	0	6559	0	8252	6726	8526	0	15537	6286	9216	6344	14108	7424	13518	9941	15676	8249	0	0	0	17523	20628	0	7230	11073	11770	8697	6053	0	13732	5378	6491	8741	11199	0	0	12003	14404	9074	8242	11402	7907	7945	0	0	0	7940	4692	6712	7851	7000	0	8838	8099	0	9505	12311	4835	4744	7791	7564	12311	6779	5502	16191	7093	7347	27709	16587	11586	0	6917	10472	4978	6302	7573	9177	8475	10296	0	9691	0	0	7863	18016	Peptide	0.52380955	1.0952381	0.14285715
8	C21 H23 O11 N3	494.14053	494.14142	0.13759655	494.1406	12273	16591	11854	17016	7363	6010	5858	11726	11622	15068	9258	13845	21520	2569	10302	15096	15005	12493	16501	10425	18781	29928	14599	14230	3580	1007	4807	2331	11494	8292	9615	10220	12002	10448	22559	8912	13732	9658	13155	18131	29480	9409	0	0	0	18984	34749	0	8989	10849	17969	19264	9380	0	18305	0	8084	11905	13780	14885	9257	13108	25444	16271	5723	15126	8516	16265	4190	1717	6817	12010	12050	9161	9994	11601	0	10032	13848	5817	8338	11035	5782	4784	14053	5904	10852	11017	10688	21838	0	10119	20795	16497	12060	0	11932	14510	8992	14340	13862	13653	8907	15618	10443	18389	10607	0	8486	22904	Peptide	0.52380955	1.0952381	0.14285715
10	C21 H23 O11 N3	494.14053	494.14136	0.13280535	494.1406	24720	23327	18974	21238	13307	7938	14215	23228	23096	25923	17330	21739	25220	2863	15092	18597	16169	21750	22939	13667	31761	42159	19440	23004	6709	3392	8556	3176	18827	12667	14074	14868	22261	13990	40740	16249	21655	17545	26191	27814	34150	14206	0	0	0	34714	62161	0	14326	21945	24516	20661	14524	0	21896	12195	7708	17780	12340	18859	22088	23322	31813	22276	9480	19436	14091	23937	0	4578	13791	20002	16509	12694	19291	15510	0	16549	18360	8909	17142	24609	10294	6187	19529	9319	16975	14428	14702	33422	8164	17697	37213	22151	23827	0	19498	27148	15528	17602	12414	18455	17687	17126	20458	23384	8717	0	12278	31559	Peptide	0.52380955	1.0952381	0.14285715
12	C21 H23 O11 N3	494.14053	494.14133	0.113720864	494.1406	16888	20307	14070	14526	12012	7867	13573	19076	0	9918	8304	13866	19356	4484	15479	14792	16928	19997	15395	11461	21288	40451	18679	13758	5498	0	6812	0	17390	12995	14275	13557	24555	11450	20083	12484	14655	15394	18925	22976	29171	10899	0	0	0	26028	30482	0	13132	10779	14556	17524	10746	0	18917	9445	8172	14381	19112	12446	20099	17161	22642	11544	6471	17420	8680	24322	0	0	7818	11569	13508	12544	10670	10866	0	15572	15314	0	12519	18658	8286	8436	9651	8526	19709	11267	13744	31038	5706	16532	37287	14960	13061	0	22258	17281	9237	10946	8532	14317	16481	11882	28926	20878	9516	0	11619	22425	Peptide	0.52380955	1.0952381	0.14285715
22	C26 H23 O9 N1	494.14456	494.1453	0.069316655	494.1446	8686	6496	4362	4905	3748	1804	0	0	6145	22825	27435	1261	1780	0	0	0	1667	0	7011	19475	19590	10090	3074	2111	1573	21149	1469	19802	1250	0	1234	0	0	0	26638	0	1516	1973	0	17824	14749	2591	0	0	0	17525	16508	0	1205	0	5213	2875	3058	0	2389	5534	2503	0	3065	0	0	11154	7137	2953	0	3385	3501	2630	32281	33257	48432	0	0	0	1459	0	0	0	3048	11106	2475	15090	2188	14483	4564	2297	3027	2801	2309	0	4578	0	3066	16081	20667	0	3827	5349	3288	2836	3888	2424	0	2862	11588	3327	3883	0	1521	6251	Phytochemical	0.34615386	0.88461536	0.038461536
14	C26 H23 O9 N1	494.14456	494.14557	0.2604621	494.14468	0	0	2398	0	2437	0	0	1455	2553	8137	5899	0	0	0	0	0	0	0	2405	6386	9134	0	0	0	0	16235	0	0	0	0	0	0	0	0	10694	0	0	0	0	2551	5748	0	0	0	0	4572	5532	0	0	0	0	0	1445	0	1525	1131	0	0	0	0	0	4348	2237	0	0	1250	0	0	19046	23845	19563	0	0	0	0	0	0	0	2113	0	0	2249	1316	4020	1523	0	2039	0	0	0	0	0	0	5151	5484	0	2979	0	0	2007	0	0	1102	0	0	0	0	0	0	1668	Phytochemical	0.34615386	0.88461536	0.038461536
24	C26 H23 O9 N1	494.14456	494.14517	0.12223252	494.14462	3257	3391	2225	3346	2497	1472	0	0	2678	14715	12596	0	1448	1501	0	0	0	2633	3482	4970	6078	5041	0	0	0	10847	0	6892	0	0	0	0	1307	0	21388	0	1365	1059	1496	6832	11591	2144	0	0	0	9618	16449	0	1100	0	0	3914	1863	0	1460	1471	1358	0	0	0	1273	6965	3172	1557	0	2366	2099	0	18061	17225	21951	1063	0	0	0	1111	0	0	1960	4719	2311	7965	2203	5140	2345	0	1450	1320	2743	0	1719	2555	1817	11482	9404	0	2746	0	2034	2085	0	0	0	0	5591	1848	1989	0	1168	0	Phytochemical	0.34615386	0.88461536	0.038461536
22	C23 H27 O11 N1	494.16568	494.16635	0.07461722	494.1657	39058	45925	34628	37502	46070	31459	11472	27105	45185	117600	39486	13465	67859	22731	27942	27561	10222	71936	54037	106194	98855	63953	35404	38454	26499	63227	10104	24594	35970	19990	21663	18152	21743	24359	109152	24275	33280	21575	13609	66336	38703	25033	0	0	0	122763	113493	0	26714	29683	45077	43052	30573	0	58554	40198	19595	22255	31683	12194	31112	62527	58477	42693	19088	50974	22581	9905	60043	89598	64177	28987	19050	28170	19174	19657	345	22725	25398	35370	25113	68180	18361	35129	50987	27652	24127	24466	19142	16608	27159	28845	43901	41028	69415	0	43233	44815	38837	36596	38496	25342	13445	33876	94806	27067	39262	0	19293	72956	Phytochemical	0.47826087	1.173913	0.04347826
18	C23 H27 O11 N1	494.16568	494.16638	0.084363244	494.16574	234024	216646	212342	206312	176035	144470	92144	176378	190537	582969	238274	93407	311457	101281	169333	166582	88053	269353	285835	531817	463071	329175	170042	199465	143976	262889	90574	193620	191650	160447	155173	158506	183568	162067	688032	154241	192364	122653	86414	374371	213974	112377	7051	559	447	459041	332028	591	159790	156700	226159	209885	147814	662	296580	157500	94761	166760	166608	80655	164032	261838	299175	200558	85138	206451	126999	83856	244220	384523	286602	161420	132481	162568	104780	144020	378	121594	152818	170094	144384	274056	107173	225241	202062	125377	126678	99704	115854	89087	157156	223231	258153	196300	338334	1305	219231	214394	176515	135574	130771	166478	101996	174674	278326	142097	147026	566	114087	260852	Phytochemical	0.47826087	1.173913	0.04347826
20	C23 H27 O11 N1	494.16568	494.16635	0.07745349	494.1657	184326	184728	211708	156916	188120	185420	80430	135290	235818	523716	176650	75062	319304	105542	123334	130748	79514	303866	266880	480502	421654	291758	147498	144100	116162	289608	61856	182296	129464	96034	105782	102244	106232	98068	538796	121110	142078	75552	53822	318670	208414	102074	8096	1246	782	426148	374360	1078	103622	125908	185088	184360	137760	1166	261894	171148	96114	122426	153396	69102	144570	252330	273560	178586	82116	174510	124354	75672	266186	393602	259508	116820	107612	123970	87674	90566	710	96016	113830	194024	90992	265964	78270	194788	197668	126092	137324	98616	101428	84038	141074	187760	198499	204162	294318	0	216614	197102	183434	146818	159796	129093	85666	148782	333578	107098	173752	1554	89016	341372	Phytochemical	0.47826087	1.173913	0.04347826
28	C23 H27 O11 N1	494.16568	494.16632	0.13861927	494.16574	6595	4367	6173	5723	5322	3921	1480	2643	5709	21020	5903	0	12754	2637	1995	3097	0	10131	5326	16849	18321	6590	2658	4277	0	11208	1266	3664	2793	0	2640	1237	2960	2343	17060	0	2968	1905	2262	9636	6680	0	0	0	0	16517	18742	0	3068	2952	5903	4545	5246	0	6939	3414	2418	2723	1745	0	3144	7041	11160	5979	1361	6819	3400	1708	10984	20680	19259	3144	1838	0	0	1265	0	1436	3455	3892	3260	7552	3151	5580	7269	3881	4040	0	2432	815	1691	4558	4517	5100	8878	0	5265	7778	3721	3197	4381	2949	1847	2624	9275	2622	4754	0	1469	8411	Phytochemical	0.47826087	1.173913	0.04347826
26	C23 H27 O11 N1	494.16568	494.16635	0.041251797	494.1657	6584	8779	7657	6622	8720	5897	0	0	12344	29585	5212	0	21832	3048	0	0	0	16746	8464	23050	21469	12937	7564	5842	0	11706	1588	4947	0	0	0	0	3540	3791	28566	0	3356	2993	0	15350	11380	0	0	0	0	23934	25495	0	3345	5961	7678	6989	7924	0	16721	8701	4778	2479	2935	0	5636	12290	17501	8584	0	11896	2846	3014	18627	28412	18553	4259	3073	0	0	0	0	2625	6290	5806	4310	12753	0	9950	11119	0	4190	0	0	3307	2042	4040	4828	6436	15574	0	7894	7298	7011	8114	7700	0	0	0	12029	2615	6052	0	2430	19161	Phytochemical	0.47826087	1.173913	0.04347826
6	C23 H27 O11 N1	494.16568	494.16663	0.169188	494.16577	10779	9142	6174	7330	5095	4092	2331	9016	7556	19184	10813	4538	11940	2836	4975	7817	5184	9884	7274	12567	21296	17498	4947	6094	1959	3049	2905	7709	4835	5770	5360	4779	6986	4338	27559	6255	6607	3072	5631	8886	16254	4331	0	0	0	9115	20354	0	7924	4336	7690	6998	4148	0	10640	7037	3176	6698	4205	7714	7491	10808	11359	7960	2970	8466	3756	6424	5928	6391	9600	5411	4929	5203	4700	4985	0	4330	5724	4810	4482	6938	4507	3552	6568	5606	6201	3253	4979	9473	4077	7455	9794	13703	16316	0	8352	8446	4214	8516	7161	5871	4555	9940	7433	4959	4181	0	4362	10698	Phytochemical	0.47826087	1.173913	0.04347826
24	C23 H27 O11 N1	494.16568	494.16632	0.10579472	494.16574	15121	11378	16079	15333	20844	12228	2921	9719	21731	51474	12937	4023	45054	8096	10410	9633	2892	28420	19940	39825	40859	27492	10218	9411	6838	25149	1280	12165	5557	3825	5110	7584	6621	6471	42839	6518	10022	7817	5655	25233	19141	7386	0	0	0	48463	47307	0	7011	7805	13799	16450	13813	0	21400	14663	7894	8682	6459	3925	6808	23210	31039	20199	6534	18031	8968	3957	24430	39008	38446	9549	5885	4946	5814	5005	0	6323	8812	8966	8948	32729	5617	16767	27115	9158	7540	5799	5798	3601	6022	9169	14752	14643	29713	0	13083	18995	14319	13446	18436	6337	4721	8786	31633	7638	17669	0	6827	33895	Phytochemical	0.47826087	1.173913	0.04347826
16	C22 H27 O10 N3	494.1769	494.1776	0.07421926	494.17697	139027	138646	132273	152316	91968	64656	71345	136086	120882	315382	138152	74996	140587	55358	125220	122232	73924	112102	131254	278821	254282	171489	120133	121319	98984	158710	65901	110218	103695	109297	123710	140575	137349	89024	390874	114938	130943	104613	94171	190453	137269	66918	1796	0	0	200026	171771	0	135594	116806	132864	128368	89800	0	172714	71166	60858	111952	140300	77516	135779	118712	151584	97025	52964	105312	82903	83495	128372	234510	195110	135777	112059	103349	80931	127418	0	99609	111042	93633	102756	152566	104114	136248	102048	70593	112530	66924	86359	66950	103971	144093	133209	109587	164863	0	138997	133786	108631	76760	76706	110270	73800	125316	133380	122588	93595	0	88716	158644	Peptide	0.45454547	1.2272727	0.13636364
14	C22 H27 O10 N3	494.1769	494.17758	0.05313136	494.17694	0	35026	25009	29890	13605	16885	22551	43354	16723	18804	12623	24573	17756	6161	37714	47847	27271	23931	26574	25599	22679	56343	30700	48360	40539	0	25468	0	37014	38097	35687	32463	47588	31132	26597	39818	43475	31760	33970	35605	18712	20829	0	0	0	32835	24103	0	39797	32986	32425	32560	17884	0	32606	12731	12311	36168	57700	21253	39687	25213	18056	20926	12886	19362	21087	28757	0	11121	0	30312	34238	31951	24406	26087	0	27571	32124	0	23599	22857	29896	15269	11165	16063	33599	24461	19573	51783	37233	42427	90398	17504	28369	0	31029	27724	7352	11417	8581	37896	27177	46452	0	41548	11229	0	31482	19981	Peptide	0.45454547	1.2272727	0.13636364
6	C22 H27 O10 N3	494.1769	494.17783	0.046359144	494.17694	19346	22822	19567	22606	8395	6485	12561	23983	13609	20882	14071	14999	17447	3115	17591	24988	22650	14673	18853	18533	25025	35398	18072	30500	9546	2545	12066	5324	16338	18252	17652	23657	28309	19733	25405	20867	24559	16309	27043	18908	23157	10836	0	0	0	25795	32749	0	24424	20546	21795	20251	9288	0	15781	8258	8253	28585	17592	19745	22361	15937	19085	13003	7864	13394	15270	33390	3481	7731	7735	20174	19218	15365	13249	16559	0	12663	17349	12224	15811	12183	12533	6973	11923	8434	19660	14627	12608	36006	13729	25309	42890	14958	22826	0	21297	22671	8111	9783	10178	25341	13611	22336	22899	23517	8831	0	13225	22367	Peptide	0.45454547	1.2272727	0.13636364
8	C22 H27 O10 N3	494.1769	494.17776	0.05373725	494.17694	46742	36923	34119	39626	15859	16696	22491	43848	23836	33542	14916	29586	27510	7393	35963	39948	35246	20711	30564	44320	42395	63957	34641	57068	21413	2977	22996	15366	38509	36634	36021	40310	40861	36858	45971	40054	43681	29754	47305	44425	39139	21549	0	0	0	46869	44292	0	43143	40897	42594	41906	20051	0	30689	12354	16465	44733	36803	38981	51422	25959	26423	26659	15593	25324	23220	49113	5840	11313	11099	40642	37498	34299	24672	32452	0	30472	37878	16918	28435	24408	24633	20197	15144	14436	35849	20288	23580	67014	29967	57071	73077	32317	45816	0	44971	39646	15210	13868	17631	40255	25031	50126	26259	50012	13491	0	26178	29835	Peptide	0.45454547	1.2272727	0.13636364
18	C22 H27 O10 N3	494.1769	494.17767	0.16001308	494.177	243747	238483	228932	220927	183964	147863	105143	176378	199156	629688	292043	99190	319215	101281	184420	187362	91366	275904	316910	577639	515175	365010	181667	219206	159706	362102	96931	245832	191650	174271	170033	170523	201290	162067	742413	162516	214295	134904	98338	417817	277205	124134	7051	559	447	486294	358419	591	187186	165432	235504	224918	169991	662	309994	165492	104512	183045	178640	91119	173129	283495	299175	206840	92736	211284	142402	97786	333395	499351	449223	173690	132481	175238	119174	152909	378	131035	166951	196860	154679	284391	111235	255771	202062	128857	142917	112627	122071	111060	189375	242035	291149	227027	360885	1305	239614	231133	185872	147986	140467	187122	111180	190988	287533	155178	155350	566	127373	276527	Peptide	0.45454547	1.2272727	0.13636364
24	C27 H27 O8 N1	494.18094	494.18146	0.03325249	494.18097	5020	5085	3779	3231	3006	1955	0	1397	1898	13138	19987	0	3565	1156	0	2002	0	1343	5380	12263	18447	4521	0	2406	0	22015	0	15282	0	0	1275	1142	0	1777	13791	0	1653	818	1526	11759	14258	2348	0	0	0	8809	12338	0	1875	1618	2888	3011	2906	0	1984	2113	2684	1558	1481	1992	0	6182	4570	1614	2823	3814	3510	1700	21388	29748	37936	1572	0	0	1544	0	0	0	3697	7879	1085	9083	1464	10720	4454	0	1926	1198	1733	2675	1729	2593	2833	11312	7048	0	3299	2535	2411	3529	0	0	917	1464	7626	2961	2147	0	1472	1944	Phytochemical	0.2962963	1.0	0.037037037
16	C27 H27 O8 N1	494.18094	494.18173	0.08723503	494.181	140868	142429	135116	152316	91968	64656	71345	136086	123671	326242	151911	74996	140587	56571	125220	125388	73924	114788	131254	291978	263832	176353	120133	122933	98984	181843	65901	121700	105727	111383	123710	140575	140250	89024	400017	114938	130943	105623	94171	199512	145753	66918	1796	0	0	203455	175837	0	135594	120023	138146	130751	89800	0	172714	73557	61681	113640	140300	77516	135779	123735	151584	97025	53976	105312	82903	85211	146656	255279	225504	135777	112059	103349	80931	127418	0	99609	114706	93633	102756	155181	104114	140481	103495	72349	112530	68557	88700	66950	103971	144093	133209	113874	174259	0	141443	136785	110989	77956	78866	110270	73800	125316	137293	122588	96092	0	88716	160683	Phytochemical	0.2962963	1.0	0.037037037
16	C20 H31 O13 N1	494.18683	494.1874	-0.31971937	494.18665	11521	12966	13203	13440	6839	9124	17424	15742	20533	18212	6172	9277	30158	4810	20264	11253	7833	18700	21450	18412	19953	24215	19832	39462	26127	6977	6865	6580	14298	24698	14223	16523	32927	20203	45947	15367	16211	13249	10380	16766	8932	12428	0	0	0	53045	19858	0	17922	13286	14319	14527	12595	0	49818	17431	9875	31010	35390	7108	14507	20142	33294	16694	4461	12756	12505	7306	0	9922	4730	14651	27970	17047	5714	8774	0	11924	18317	11014	9939	20790	14132	33454	16536	7966	10600	8797	26930	0	21869	26972	0	10245	33574	0	20332	13966	8456	5669	9710	31524	8230	28814	10192	0	11554	0	20142	27255	Unclassified	0.65	1.55	0.05
24	C24 H31 O10 N1	494.2021	494.20267	0.03585698	494.2021	38423	39183	30261	36300	40264	29139	11018	24304	43830	97826	30167	17360	71875	17447	26882	24883	15983	52251	56032	82547	73247	28472	32697	38248	24442	77033	7475	27051	22513	19574	19285	23475	0	28690	88121	21820	34759	19508	11705	53594	34861	18859	0	0	0	59411	50756	0	0	24209	38108	29842	30077	0	41932	35304	14293	29121	19649	13623	30728	36184	51979	34383	15380	0	20655	11865	0	93938	98416	31197	27072	21750	17995	14401	0	19790	27289	17047	27898	38259	13120	33469	45132	21353	22175	13078	23570	9638	23214	26651	37318	16777	40558	0	35891	36383	31918	33599	35770	23682	14377	30253	39744	25458	30803	0	17460	65164	Phytochemical	0.41666666	1.2916666	0.041666668
20	C24 H31 O10 N1	494.2021	494.20273	0.038708486	494.2021	534383	499515	525842	473675	445489	382940	236877	530944	517728	1202916	509669	259932	655997	302262	436883	446460	247920	639592	681666	1192708	1058154	583099	455312	574789	411670	891067	215885	460080	518832	438400	412711	419368	492925	396109	1255857	438321	552527	318688	238603	805954	437051	310261	14888	1508	0	779239	563510	1224	441365	94131	495750	535215	368973	1968	572886	413427	217955	408800	465917	218828	465335	510936	602180	456134	220580	438492	343476	240768	699658	1229099	886669	496816	438419	494570	307222	376137	0	347946	376917	279347	339777	73401	330371	550125	425934	301762	353616	273830	316905	284463	468168	539830	656911	347068	520279	2202	116694	581265	374921	307294	343025	466672	282520	122273	511956	438361	371291	1886	282767	681490	Phytochemical	0.41666666	1.2916666	0.041666668
18	C24 H31 O10 N1	494.2021	494.20273	0.09207019	494.20212	275713	259570	246893	233166	197272	165421	128932	306694	181175	514236	258440	143592	305019	118943	224963	256566	144137	280285	321949	629262	528827	286990	218575	308715	211406	440066	123001	211471	289445	249563	232458	250613	247422	271634	570060	280406	272647	0	139739	410282	225217	153243	7469	895	416	382904	0	570	245068	249532	256663	242544	155997	1002	276453	180236	116851	242316	232860	128250	252900	268612	236475	187210	100470	205272	155614	147111	365096	543648	405452	272317	222241	275902	167460	246885	0	173638	186810	155414	170162	214898	179738	239971	222115	142284	164158	145804	159356	132966	241998	293435	328870	151806	297831	1588	259803	292035	165509	139806	153077	260075	159634	334194	201635	203423	157873	725	160975	239275	Phytochemical	0.41666666	1.2916666	0.041666668
26	C24 H31 O10 N1	494.2021	494.20273	0.046062797	494.2021	12422	14150	16269	12363	16931	11714	2776	9102	18829	36963	10082	5130	28539	6589	9173	14236	6241	22427	18902	38819	36903	12939	12216	8891	7511	31284	2259	10022	7946	6018	7166	5140	8199	9977	37476	7202	11542	9887	3041	18797	16343	0	0	0	0	23262	25516	0	14090	8985	11824	12554	12582	0	15867	15046	5819	9711	5702	0	12810	12028	22839	12284	4277	16990	5050	4273	29366	53885	46876	11420	11769	7776	6181	5418	0	7040	13160	0	10024	15749	5621	11917	16310	0	7172	8789	8205	5770	7163	8165	11872	5179	12798	0	10789	12506	11138	12731	13235	10874	4459	11615	10420	7636	15649	0	5454	25005	Phytochemical	0.41666666	1.2916666	0.041666668
16	C24 H31 O10 N1	494.2021	494.20276	0.08753809	494.20212	195949	217068	198802	196904	140749	118525	135673	252683	149879	401287	188418	131203	179291	87706	175216	246154	155219	199423	230411	486028	435698	241043	190755	253000	0	325148	110427	176326	232952	223063	204900	208949	223997	179479	450400	226306	214000	146538	131411	313064	197626	126452	4507	683	0	276774	227742	569	239706	236784	201324	206538	141161	955	192152	129122	90195	196762	204554	123449	259244	212178	172841	140248	75989	146303	125060	0	281940	405480	332452	240630	216247	237104	175030	204921	0	152172	161963	137682	138847	168898	163276	201067	152096	107872	152443	112681	127663	172517	195891	225498	318043	137186	244936	1762	219563	249096	117646	96436	117186	225273	125428	268782	179355	201378	131268	459	142111	179018	Phytochemical	0.41666666	1.2916666	0.041666668
28	C24 H31 O10 N1	494.2021	494.2027	0.033790387	494.2021	7392	6785	6340	5095	5931	5095	1027	4295	5899	22565	4619	1803	12764	2701	3051	4692	0	8259	10294	19867	20593	5774	3671	8897	3197	16680	1622	6137	4671	2962	2915	3294	4723	4132	16283	4286	4539	2123	2783	10514	8312	2555	0	0	0	9572	7382	0	4505	3338	7631	5197	6678	0	8859	5917	1633	4052	2511	1488	5403	5815	10859	5083	1829	7878	2449	4426	12714	29652	24978	5456	2867	4411	2221	2723	0	2673	5163	0	4541	4173	3285	7158	5514	3145	4749	1972	2484	2997	6185	5392	4642	2726	8190	0	8208	7024	4105	4564	6919	3881	2220	5667	4855	3291	4465	0	2539	11548	Phytochemical	0.41666666	1.2916666	0.041666668
22	C24 H31 O10 N1	494.2021	494.2027	0.051602922	494.2021	108224	0	89410	102960	97925	0	32631	95919	100021	245262	84972	53721	138828	55790	66871	74394	40894	151460	129750	239958	0	99068	0	0	78832	182139	33494	85243	0	0	0	68752	0	0	261949	74071	0	56447	46239	140394	90870	0	2459	0	0	174142	144803	0	74817	79329	100680	100052	78056	329	128427	91830	45331	0	70254	36732	0	99761	134762	83377	42372	0	62234	43690	150726	249655	191090	91304	70885	75576	48551	63571	0	0	74137	47169	65555	95231	49723	90426	112925	63318	68630	51757	53086	46980	78928	95520	106129	66901	114202	0	0	107427	80361	77365	69582	0	0	89167	108381	75123	82824	0	51140	142984	Phytochemical	0.41666666	1.2916666	0.041666668
6	C24 H31 O10 N1	494.2021	494.20297	0.058361452	494.2021	11695	9781	11551	10305	5900	5000	4665	10101	6267	21201	7954	4628	10683	2228	5651	11331	4055	6864	8151	16317	21304	14203	6861	11074	7374	5703	4823	5587	9905	8423	9769	8306	10781	7687	24553	7628	11934	6646	7582	13595	9789	3467	0	0	0	11873	13062	0	8116	9502	9772	9851	5071	0	9550	4877	3988	9692	5881	4303	8991	8760	10982	6198	2743	5303	6794	7908	5893	11116	11282	7308	6432	8980	3413	8065	0	6687	7885	5978	5197	5671	5107	6719	5243	5249	6978	3394	4837	10487	10417	14122	18776	9314	16276	0	8817	10220	3359	5300	6716	9619	4362	12847	0	10499	4109	0	4851	8962	Phytochemical	0.41666666	1.2916666	0.041666668
12	C24 H31 O10 N1	494.2021	494.20282	0.03371158	494.2021	63392	67722	65176	66800	34625	30486	57307	84267	41513	104410	64709	37073	43120	19126	50123	56397	65788	49887	60292	127096	116397	105830	60377	85497	56882	65542	38590	47859	69829	60155	116958	59002	74999	47783	167065	126830	58306	47976	52332	96766	79824	35864	574	0	0	100744	78402	0	53686	68885	57164	55314	32271	0	56812	32716	26707	63890	60185	58842	81911	64942	46194	41809	20168	39799	36491	55002	75026	100913	78958	55440	58219	70052	47806	105792	0	51275	52598	54403	46720	52273	97178	54392	41264	30515	49534	25130	40314	99781	56889	77559	155818	52567	64693	0	62930	73080	32254	27841	29276	71909	43253	79227	57730	56870	29749	0	46769	54857	Phytochemical	0.41666666	1.2916666	0.041666668
14	C24 H31 O10 N1	494.2021	494.20282	0.06270318	494.20212	128113	128830	125706	123340	65769	71308	101627	168114	86362	211132	137980	79128	105937	48622	116768	145384	113252	105182	119356	276784	227370	173472	121284	174719	104787	179074	72103	138613	132165	148127	121475	138927	129565	102715	286062	137254	115297	95952	100561	176118	151267	75587	0	0	0	165862	156114	0	124661	139018	115146	120940	75587	204	118499	64268	43756	143204	154987	104999	189632	123688	94275	88615	44350	82306	71393	88959	185540	203535	171571	115608	119642	145804	97877	114160	0	89352	99522	104244	88242	97401	98949	105131	81627	55398	87631	67924	74619	136697	136377	126904	362184	87802	132936	571	126760	143302	62585	64854	66210	139420	82622	193169	135630	109732	59266	0	90242	93451	Phytochemical	0.41666666	1.2916666	0.041666668
6	C23 H31 O9 N3	494.21332	494.2142	0.039567314	494.21332	15637	16560	11100	12343	5249	5389	11124	20129	6630	10225	5364	7231	8620	2712	14698	16042	10933	9917	12934	13291	9305	22335	11484	23732	15163	895	7622	8198	17963	12345	15315	16869	18245	14508	15065	13660	19271	12254	15555	12219	13520	7491	0	0	0	14423	10264	0	18684	11546	12913	14597	5995	0	13390	7831	4589	17013	11193	8050	19414	7897	7493	8394	4982	7830	8752	15052	0	4376	3280	15236	11989	10625	5911	9808	0	9026	11895	4260	9562	5442	10184	6356	4248	4757	10744	8061	9510	23627	23428	25176	30651	8834	13824	0	14460	14014	3341	7705	10108	18187	9621	19287	0	18294	3186	0	10149	9157	Peptide	0.39130434	1.3478261	0.13043478
12	C23 H31 O9 N3	494.21332	494.214	0.05823324	494.21335	20523	24023	22922	18335	10013	9088	25133	32538	8927	13518	6318	14011	12559	3566	27303	22760	20329	15746	20832	22603	16748	37531	25388	30138	37032	0	14264	0	30197	19513	29421	27452	40943	24030	28030	25409	33103	25228	18476	31819	12562	10635	0	0	0	28646	17438	0	34516	19548	26053	24737	14416	0	15117	6634	10177	34568	40188	9173	27421	14353	9093	10845	10514	12882	15122	22529	0	13871	6032	22874	25104	26656	13962	22260	0	20765	21375	0	19010	15711	26549	13287	7777	12315	25192	10199	12981	29059	33570	49719	57797	12909	17494	0	22580	28108	8977	5637	6712	26735	18155	34468	0	31488	9493	0	25811	10823	Peptide	0.39130434	1.3478261	0.13043478
10	C23 H31 O9 N3	494.21332	494.2141	0.09304844	494.21335	29720	25607	28035	27126	9689	13349	19734	33881	12494	18306	9873	16741	11157	3633	27759	27530	18577	15904	21967	30525	23968	39644	23216	42532	26674	0	18797	9253	27362	26267	21751	29809	37239	28485	30356	27569	39983	22441	23406	28236	18488	13347	0	0	0	27365	17507	0	32174	26277	20854	24388	11123	0	17445	8094	7952	39418	25422	15149	32048	17059	8672	10368	7048	15868	11650	25978	0	12108	5530	27252	25668	28058	11972	24741	0	23301	23449	11328	16746	15478	20818	18153	6667	8762	22838	11618	15949	34837	45075	47635	68288	13772	23487	0	24634	22607	8588	9467	10406	32414	18850	43658	0	35682	6364	0	22927	17914	Peptide	0.39130434	1.3478261	0.13043478
18	C23 H31 O9 N3	494.21332	494.21405	0.47309673	494.21353	217550	207357	186216	193891	142464	109658	140218	229221	174329	478577	258854	123708	183288	92788	198009	214799	125271	196020	235970	427425	358164	219697	182263	198720	174001	282435	108389	203622	195722	192687	213034	205688	225820	211406	461747	182196	217052	152209	152936	258054	174620	124269	2390	0	0	215146	143532	0	198059	184148	243068	225826	129540	0	240718	146986	95907	204971	190972	110577	204001	174560	217583	176816	88480	155208	116241	138606	208936	394760	332963	192490	165022	202667	144915	229598	0	162908	208105	99179	174042	167388	163787	170968	158690	106608	165778	93247	122296	130073	182806	217616	250401	124009	190777	0	219615	197284	155373	139076	119677	204511	144628	246447	133344	158761	111858	0	156833	199118	Peptide	0.39130434	1.3478261	0.13043478
24	C28 H31 O7 N1	494.21732	494.21793	0.061970435	494.21735	4554	5441	5511	5563	3789	2409	3270	4230	4217	12024	19342	2086	4056	2929	0	6553	2541	2681	4311	17683	12775	2857	3825	5212	2278	42126	0	22568	3691	4135	3138	3962	3335	3973	9177	3389	5058	3017	2791	14232	22039	3126	0	0	0	11053	13298	0	3142	3004	6779	6287	4924	0	0	2610	2554	6805	4389	5459	7698	9961	1693	1986	1710	4178	5802	4094	36666	29908	41223	2699	2731	0	0	2097	0	3817	3720	8124	1829	4777	3192	14776	4724	3397	5671	4290	5042	7530	6857	1961	10217	9579	6978	0	4260	4207	2295	1340	3226	4186	1581	7492	6640	4476	0	0	5143	3272	Phytochemical	0.25	1.1071428	0.035714287
22	C28 H31 O7 N1	494.21732	494.21796	-0.005438301	494.21732	11814	9964	8451	9437	4947	3725	3793	5995	3017	13664	23229	2253	3610	0	2734	6415	4115	0	7314	18043	18424	12683	2688	4560	5103	45541	2132	26945	3702	7178	4546	0	5809	5352	12127	6411	4404	6669	6320	20929	33081	5774	0	0	0	9322	9886	0	4713	5740	6950	5744	6551	0	2026	3409	4205	4935	2532	7603	7404	13030	2244	2171	0	4934	9138	5732	44143	46278	52498	4928	4803	1979	3152	8580	0	2617	6943	8605	4948	6846	3060	18876	4151	5318	9274	4905	3265	12705	10742	8052	12970	12232	9098	0	8289	7693	2723	4472	3247	5236	3942	10427	5283	10936	3863	0	8544	2120	Phytochemical	0.25	1.1071428	0.035714287
8	C22 H31 O8 N5	494.22455	494.225	-0.03561213	494.22452	4762	4065	0	3749	0	3538	0	4887	1551	0	1295	0	1509	0	5652	4582	2031	3335	4497	0	0	2985	4980	3721	3626	0	963	15222	0	4477	3910	3445	4944	3747	0	4970	5926	5086	2745	0	0	4955	0	0	0	0	0	0	4872	4401	0	3881	2513	0	2802	1742	2915	3881	4172	0	0	0	0	944	3298	0	5084	2673	0	0	0	0	4333	3355	1673	2497	0	3475	4623	59605	3975	1463	1732	0	1771	0	4634	3320	3262	3643	61446	16683	9805	4413	0	0	3477	3549	0	734	0	5018	3394	0	0	5128	0	0	3395	1991	Peptide	0.36363637	1.4090909	0.22727273
6	C22 H31 O8 N5	494.22455	494.22552	0.116546735	494.2246	4595	2452	3802	2679	1505	2018	1884	3996	1409	0	1688	1959	2515	569	1995	3558	2496	1917	0	0	1202	2419	1706	0	2306	0	0	12056	3204	2972	2669	4292	3653	2378	0	2900	3699	3280	2311	0	0	1527	0	0	0	0	0	0	0	3288	2244	2945	1485	0	1818	1199	719	3576	1511	0	2991	0	1259	2303	707	3119	1685	2877	0	0	0	2747	2946	3705	1312	1903	0	2216	1819	55464	1447	0	1038	0	0	0	3891	1415	1725	6844	32368	12530	4984	4866	2050	0	2757	4618	990	1247	1430	2661	1857	0	0	2459	1226	0	2357	2776	Peptide	0.36363637	1.4090909	0.22727273
16	C24 H35 O6 N3 S1	494.23193	494.2325	0.10076317	494.232	6502	6757	5370	5607	0	0	2061	6569	0	0	0	0	0	0	1379	15522	1877	0	0	0	0	21452	2114	27452	7405	0	1738	0	0	1751	1847	0	2608	0	0	0	0	3261	2000	0	0	0	0	0	0	4491	0	0	1789	1450	4764	5157	0	0	0	0	0	22794	0	0	11668	0	0	0	0	0	0	1560	0	0	0	0	0	0	0	0	0	0	5011	0	3388	0	0	0	0	0	8458	0	0	184503	12814	5668	253691	0	0	0	5862	5670	0	0	0	0	1843	0	0	21512	0	0	13437	0	Organosulfur	0.25	1.4583334	0.125
16	C25 H35 O9 N1	494.23846	494.23917	-0.002890169	494.23846	93035	103637	96350	105577	68623	51486	77316	137676	54372	119654	76135	76361	74734	46675	94255	154418	99104	73255	120414	185749	158637	102561	115185	156737	86895	162045	69258	62492	127360	129927	0	120921	112809	90857	129990	134817	107664	71077	103024	109475	100202	74484	1228	0	0	114503	96710	0	121734	126660	97866	104576	61202	419	87217	68924	47708	129202	88796	78199	142020	72384	74040	61453	41524	70015	57070	87084	135577	167380	151982	119620	117867	134880	119593	113459	0	83529	96156	67759	80510	65100	91452	72461	77336	52968	95574	61474	64884	149403	105386	113150	174700	60713	99767	460	111985	112790	54627	51380	59402	136746	65169	141663	69460	121447	67336	0	85949	70443	Lipid	0.36	1.4	0.04
28	C25 H35 O9 N1	494.23846	494.23914	0.0747577	494.2385	8825	6605	8744	8712	8878	5595	2549	7544	9898	18696	8117	3619	18636	3644	4330	9789	4855	10347	11450	21167	18959	6085	6312	9393	3532	25947	2929	9919	5806	4187	3726	5165	6275	6932	18452	6414	5705	5221	2597	13118	9412	5010	0	0	0	7312	9770	0	6067	5309	7091	7494	6266	0	8316	7573	2061	7217	3418	1798	9237	5650	11283	5322	2437	10456	4547	3971	22239	40332	41912	7569	5557	3540	4981	4629	0	3916	8558	2286	5029	3406	4258	7630	8936	2914	8015	5429	4784	7667	7390	7832	9123	3490	5046	0	6677	7945	5545	8044	7061	9183	2357	8501	4687	5340	3876	0	3116	11728	Lipid	0.36	1.4	0.04
26	C25 H35 O9 N1	494.23846	494.2391	-0.016634898	494.23846	19467	24566	30335	24414	31492	19453	4890	22547	25294	47928	23830	10889	50867	13610	13033	22311	9841	35330	39483	64747	68559	24412	18013	29183	14881	63262	3886	20028	19756	18573	18685	10861	23509	18669	54499	16995	28184	11104	12535	38368	28036	8670	0	0	0	30237	26554	0	23821	16858	28437	27700	23879	0	30997	28826	8487	21056	10358	8239	23821	20926	33563	20965	8995	33531	23293	11832	55984	93963	88770	23193	16859	15300	13136	14359	0	12475	22506	8701	18751	13561	10947	21852	27228	12213	26314	16136	10147	15976	19396	20498	29701	9391	25631	0	27742	32043	18213	23127	24063	15307	12847	17708	15727	18115	23055	0	17542	39668	Lipid	0.36	1.4	0.04
12	C25 H35 O9 N1	494.23846	494.2392	0.024364863	494.23846	23840	19609	19385	27566	9830	9348	21502	38380	8973	33714	16521	15268	12132	4425	18300	24179	22755	12484	19396	42614	37584	28846	24708	20914	23619	17949	13175	17216	22511	20150	25194	23311	34387	22128	39831	23348	33793	16645	27517	30657	17743	13406	0	0	0	25272	21963	0	26208	25080	19203	21297	10218	0	16475	9870	8404	29733	10564	17159	29340	17358	14835	10092	6975	17010	15465	23039	0	32298	23630	17955	23436	27564	23585	22704	0	15614	16482	0	19999	10525	20342	14718	10704	8832	20019	7736	13045	40788	29005	23959	38741	18956	24767	0	21323	25961	10061	9210	8804	24460	13571	32214	0	20229	8539	0	21788	18528	Lipid	0.36	1.4	0.04
8	C25 H35 O9 N1	494.23846	494.23932	0.08195785	494.2385	11406	12756	10204	10070	3611	6319	7900	17098	4400	16084	8582	5545	7335	2146	9605	11087	9358	7298	8975	21036	16373	17594	9104	17096	9368	6100	6021	8046	14915	9751	12252	15227	14242	9856	25018	13226	18323	8877	11965	13677	8455	4662	0	0	0	9597	5392	848	17552	11070	9508	10629	5362	0	6682	5165	3725	14133	2180	3103	11588	6824	6875	6449	1516	5650	4252	8329	6413	11695	8450	12815	8856	10202	7139	9948	0	8281	7705	0	4751	3249	4884	9403	2965	0	6753	2884	5103	14067	0	15171	16517	6654	11831	0	13602	13525	2443	4849	2835	16387	6647	19393	0	10496	1640	691	6305	6459	Lipid	0.36	1.4	0.04
14	C25 H35 O9 N1	494.23846	494.2392	0.004930926	494.23846	42922	45751	40301	46931	21848	26834	46085	65026	25399	53675	31517	36807	27764	18398	45516	61168	52830	30423	42434	74932	69207	67851	49827	70817	39830	54354	27780	30357	56174	52562	44024	58274	59623	41274	61741	62433	47060	38395	44276	49300	48325	26840	0	0	0	55912	53084	0	56570	53703	36738	42175	22916	0	32606	23472	19995	55884	47851	41743	48355	28485	22683	26936	17013	24259	26451	46666	49218	67436	54169	41692	42345	60572	53921	38594	0	38661	41213	27114	34467	28073	37876	25900	27601	16812	40291	20579	22325	75760	54739	43203	84370	28131	40954	0	45742	47471	16475	18847	24556	60156	32527	80899	27292	43768	22075	0	33982	25208	Lipid	0.36	1.4	0.04
10	C25 H35 O9 N1	494.23846	494.23923	0.04434911	494.2385	18202	15278	17787	17108	6587	9442	8144	21405	5692	30402	12630	8664	10797	5845	16078	16710	14580	6696	12141	38441	28043	20099	9519	23576	15121	11700	12584	14027	19693	14550	17012	17730	24217	15454	35415	16492	24994	9083	15261	20289	15751	6186	0	0	0	17366	8986	0	19738	17038	16681	15732	6063	0	9028	5398	3513	23167	5104	7906	18538	11670	9783	6830	2977	9080	8632	15433	11088	19266	13438	19220	16699	19182	12565	17297	0	13379	10592	7559	9760	6816	7450	10373	6183	4202	11521	5874	9330	24957	22298	20731	33470	10082	18773	0	18719	19411	4561	6299	5931	22371	8901	25659	0	15917	5718	0	10791	10488	Lipid	0.36	1.4	0.04
24	C25 H35 O9 N1	494.23846	494.23904	0.012061863	494.23846	86398	86228	79645	83908	99350	66494	26471	86903	92006	188557	84258	45967	133053	50660	0	0	41866	113587	145571	187434	180786	85522	73088	97016	57522	161103	22862	80409	0	58878	0	73993	73065	0	206184	0	0	49527	41452	111236	70647	0	0	0	0	116441	77295	0	74508	66200	87497	79189	67561	0	112691	76013	38787	0	60442	28904	0	77981	106362	80369	32152	92388	61422	39217	145502	263111	213715	76030	72547	0	45277	57327	0	55761	77088	30800	66921	56341	44367	72808	91407	52051	64834	45835	48382	52444	77418	91698	110131	44868	86604	0	92909	93757	58218	66856	84780	72657	0	0	65017	0	66105	0	49010	121337	Lipid	0.36	1.4	0.04
6	C24 H35 O8 N3	494.2497	494.2506	0.23107804	494.24982	2995	2888	3198	2116	948	818	1514	3471	947	1354	0	1569	1782	394	2891	2474	1776	1375	1921	2847	2491	4038	2107	5089	3343	0	1285	0	3784	1234	2510	2204	3651	2899	3346	2004	4039	2070	1830	1318	1337	883	0	0	0	2003	0	0	1872	1923	2471	3174	1119	0	1410	0	0	5014	0	0	2486	0	723	1314	498	1633	1572	1053	0	0	0	1312	2350	1859	1686	1738	0	1414	1333	0	1764	546	1152	1234	578	0	2248	1224	642	3174	3868	2832	8357	1056	1912	0	1623	2498	605	1678	2715	3290	773	2355	0	2730	0	0	2513	48147	Lipid	0.33333334	1.4583334	0.125
8	C24 H35 O8 N3	494.2497	494.25052	0.24198869	494.24982	3765	3531	5229	2839	886	2072	2585	5295	1206	1490	0	712	2230	0	3445	3723	1913	2017	1760	3009	2956	5852	2984	4761	5400	0	2712	0	6334	3601	3390	5856	5664	3329	3118	3979	3512	2901	3154	5019	928	1756	0	0	0	4039	2736	0	5143	2541	4035	2920	1983	0	1562	2920	1745	5734	0	0	0	1443	0	989	0	1601	3108	1794	0	0	0	4350	4139	2989	2845	2953	0	2323	2633	0	1912	1007	684	1505	929	0	2853	1130	4289	6978	0	6853	13340	1763	0	0	2709	5085	1478	1839	2245	5268	2115	3924	0	5236	0	0	2249	28014	Lipid	0.33333334	1.4583334	0.125
26	C29 H35 O6 N1	494.25372	494.25406	-0.028292514	494.2537	0	0	2872	3130	0	0	0	0	0	0	5441	0	0	0	0	0	0	0	0	0	6311	2920	0	0	0	21909	0	5144	0	0	0	0	2492	0	1695	0	4109	0	0	5445	3443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3929	0	0	0	0	0	0	0	0	4222	2389	19092	7464	11812	2994	0	0	0	2398	0	0	3234	0	0	0	0	5627	0	0	3735	3184	0	3868	4306	2706	0	2623	0	0	2701	0	0	1834	0	0	0	0	0	4639	0	0	3432	0	Phytochemical	0.20689656	1.2068965	0.03448276
22	C29 H35 O6 N1	494.25372	494.25424	-0.14662784	494.25363	2827	5012	2153	2076	2773	0	2104	4319	0	4023	6146	2832	0	0	1872	5677	8149	0	0	3339	8505	3384	1882	2887	5013	18462	0	8219	2659	4202	3666	5298	4646	2617	4199	3658	2711	2899	5375	7581	9887	3076	0	0	0	2637	5476	0	3372	5455	3281	3645	1416	0	2389	1225	2128	3612	0	3948	6013	2232	0	0	2630	0	3853	6920	14865	13050	29127	1790	3962	2528	2342	3238	0	1921	5669	5124	2331	3353	1892	4398	1395	0	6280	2927	2332	9756	9090	6193	7071	3726	2705	0	3429	6102	0	0	0	7110	2362	3886	1683	3955	1056	0	5090	0	Phytochemical	0.20689656	1.2068965	0.03448276
24	C29 H35 O6 N1	494.25372	494.2543	0.002944671	494.25372	4306	3242	4692	5374	3390	1430	1381	6846	2095	6685	9582	4994	0	2225	1923	7044	4539	0	2658	8488	8390	5145	2685	9034	2687	22549	1730	12918	5184	3209	3368	3978	5871	3586	1421	7639	7678	2849	4458	7512	11531	3427	0	0	0	6307	6958	0	5057	5480	4290	3359	4390	0	0	1439	2292	8043	1754	4595	5128	4452	1871	1176	3362	1723	3590	5560	21547	15562	24407	3559	4747	2977	2417	5921	0	2366	6044	7207	2532	4231	3621	9863	0	0	8439	2918	3555	12656	9035	3100	13141	1854	4503	0	4723	7639	2224	2048	2311	7347	1893	6946	3696	6152	1898	0	6165	0	Phytochemical	0.20689656	1.2068965	0.03448276
6	C23 H35 O7 N5	494.26093	494.26144	0.14188646	494.261	1372	1659	1552	1652	705	2943	609	0	859	0	1294	0	0	883	766	1303	738	828	0	0	0	0	667	919	586	0	0	48057	0	0	0	996	1423	0	0	0	0	553	0	0	0	0	0	0	0	0	0	0	0	879	717	1597	603	0	860	0	401	0	0	0	0	0	0	0	0	0	0	1114	0	0	0	0	0	705	0	0	0	0	658	58340	0	0	0	0	0	0	1223	0	0	1548	44056	12641	1196	3814	0	0	1259	0	0	0	622	811	0	0	0	0	591	0	726	0	Peptide	0.3043478	1.5217391	0.2173913
10	C23 H35 O7 N5	494.26093	494.26147	0.17114031	494.26102	1478	0	1832	0	0	2552	966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16122	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1574	0	1066	0	0	0	112708	0	0	0	0	0	0	0	0	0	0	91263	19708	0	5297	2004	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.5217391	0.2173913
8	C23 H35 O7 N5	494.26093	494.26157	0.2514831	494.26105	1006	1062	0	924	0	3691	0	0	0	0	1328	0	0	0	861	0	0	0	0	0	0	0	0	0	1414	0	682	34044	1791	0	0	0	1517	0	0	0	1249	0	1224	0	0	862	0	0	0	0	0	0	1105	0	1640	2274	0	0	0	625	0	1098	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	724	0	0	0	0	0	118327	0	0	0	0	0	0	900	0	612	2258	81384	26030	0	5516	0	0	1760	950	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.5217391	0.2173913
4	C23 H35 O7 N5	494.26093	494.26215	0.37115532	494.2611	1476	0	1413	0	0	6174	0	1641	0	0	0	0	1203	7737	0	1029	0	0	1275	0	0	0	1101	1557	0	0	2145	17931	0	0	0	0	0	0	0	0	1302	1725	2532	0	0	0	0	0	0	0	0	0	0	0	0	1992	0	0	0	1092	0	0	0	0	0	0	0	831	0	0	0	0	0	0	0	1182	0	1644	0	1095	0	1122	0	48801	0	0	0	0	1287	0	0	0	0	782	45537	8124	2034	0	0	0	0	0	0	0	0	0	0	0	0	1401	1308	0	1059	1137	Peptide	0.3043478	1.5217391	0.2173913
16	C26 H39 O8 N1	494.27484	494.27554	0.014441409	494.27484	10984	16188	11408	11480	5904	6172	14706	20141	3701	6533	5327	10662	4643	5318	15136	24360	23449	4576	15071	15074	19347	8208	17380	23702	15069	16329	13094	7250	18534	19266	15466	21325	21659	15520	5311	21524	16422	14179	26657	7258	6151	7846	0	0	0	6104	6435	0	21829	21347	10748	11977	8564	0	4732	5017	4402	15836	6323	8237	25365	4461	5394	5409	6349	4291	4275	22612	10397	13560	13953	11280	18561	21190	25197	18517	0	9857	13827	10108	8891	3967	7541	7202	9048	6890	13658	5424	9951	37800	21434	12890	0	3242	12736	0	13379	12884	4996	4362	10014	23377	11702	18960	5492	16558	8440	0	13917	5632	Lipid	0.30769232	1.5	0.038461536
18	C26 H39 O8 N1	494.27484	494.27545	-0.07018065	494.2748	37651	41499	35334	36568	34032	19891	32603	56458	28101	21267	26180	32315	25341	19279	46265	62718	58284	32982	50298	50763	56711	35279	41202	57347	30977	64043	32525	27201	60272	54781	42042	64925	55484	41705	32037	59467	46169	34138	51573	29163	32555	29843	1038	0	0	35790	31575	0	53060	52408	37182	35186	32104	0	37470	25339	19820	65227	23226	37619	61695	18790	24721	21659	19920	25378	25580	67932	43399	59693	71251	38107	43376	54706	55480	57085	0	31316	40535	22081	43110	17327	28520	19665	38650	26519	38363	27902	29312	64834	54658	46978	64180	22191	32082	0	40829	40958	25244	26197	36335	62288	31748	50720	16501	37137	30893	0	39410	28712	Lipid	0.30769232	1.5	0.038461536
10	C26 H39 O8 N1	494.27484	494.27563	0.13140279	494.2749	5417	2997	5389	4891	0	2932	2599	9472	0	4670	0	3947	992	1280	3226	7269	4102	0	2226	4800	3477	8600	6894	9146	4710	1612	4565	0	6976	10383	7813	11167	10075	5951	7116	5913	7670	4090	5329	5325	1462	2957	0	0	0	2201	1910	0	8301	5942	5569	3760	699	0	0	668	770	7914	0	0	0	1477	1261	0	0	1776	1814	8105	0	2898	1813	6941	8613	9127	4012	6610	0	5368	1597	0	2515	895	835	3244	0	801	2020	1560	2436	21028	13186	7280	21909	2632	4382	0	5775	4263	0	0	0	8384	2858	7240	0	6381	0	0	3212	0	Lipid	0.30769232	1.5	0.038461536
26	C26 H39 O8 N1	494.27484	494.2755	0.006814616	494.27484	55279	50942	53459	44976	71450	37652	20549	61766	54007	69498	50503	26650	76025	32355	36652	49160	34731	56244	88491	101322	95665	47422	38079	54087	58771	106995	18894	44674	67214	51347	43221	43166	0	39675	94919	45461	59419	34066	30027	64597	47742	33170	0	0	0	57290	33993	0	44946	49887	51315	42138	47745	0	79186	57442	22309	51927	43530	21752	61144	38962	64502	51845	18995	50998	44746	34133	100953	139917	135627	45328	43386	48669	29394	43054	0	36035	44160	24999	33618	24832	33875	43504	52270	33924	42297	32141	36479	38862	50885	63140	64615	25514	42961	0	46600	59310	36058	58456	60399	59812	25694	58424	25323	38043	46678	0	36159	60977	Lipid	0.30769232	1.5	0.038461536
14	C26 H39 O8 N1	494.27484	494.2756	0.10001904	494.2749	7472	5980	6236	7429	1253	3069	3634	13958	2565	10122	3245	4488	0	0	9004	10270	6834	1822	2053	10540	5014	6910	5747	11304	7325	4042	3203	0	9959	6073	9193	11369	9124	8219	9412	13057	9957	4335	9032	6354	0	3204	0	0	0	5365	4077	0	9917	12805	6461	5681	3270	0	1900	1811	2023	9131	0	0	0	0	2427	1781	1096	2210	4393	12052	13493	7272	3770	7708	6022	11111	8929	9166	0	7728	3071	0	4592	1234	3020	3767	2573	2508	5441	2931	3312	33836	19061	5450	18424	2669	9860	0	6551	6076	0	1855	2817	9022	4083	7886	0	11413	3247	0	6241	1827	Lipid	0.30769232	1.5	0.038461536
8	C27 H40 O2 N3 S1 Na1	494.28116	494.2818	-0.7833199	494.2808	0	0	0	0	0	0	2202	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8969	0	0	0	0	0	0	0	0	0	0	0	0	2109	0	0	0	0	0	1641	0	0	0	0	0	0	0	0	0	0	0	0	10329	0	1156	0	0	0	0	0	0	81686	0	0	0	0	0	0	0	0	0	0	8126	0	0	0	0	0	0	0	0	0	0	0	0	0	1954	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.074074075	1.4814814	0.11111111
26	C30 H39 O5 N1	494.2901	494.2906	-0.106720135	494.29004	0	0	2729	0	0	0	0	12574	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12691	0	0	0	0	0	0	4477	4187	40860	0	0	9549	14400	0	0	0	0	20943	0	0	0	0	0	0	3849	9505	2009	0	7564	0	0	0	0	5497	0	0	6366	0	0	0	0	1356	28376	2106	0	0	1721	0	0	0	0	3190	0	4383	2716	0	0	0	2263	0	0	0	4732	0	7118	2273	0	0	0	0	0	0	2458	0	0	0	0	35973	0	0	0	11047	0	0	2792	0	Phytochemical	0.16666667	1.3	0.03333333
28	C27 H43 O5 N1 S1	494.29346	494.29395	0.17064196	494.29355	5169	6025	4966	4284	0	0	1362	7495	0	0	1223	0	0	0	2384	3880	7985	0	0	0	0	4101	4159	5212	0	0	0	8019	0	0	0	2404	0	0	0	0	0	6509	5949	0	0	0	0	0	0	0	0	0	13273	0	5312	4985	0	0	0	0	0	15104	0	0	0	0	0	0	0	0	0	3276	0	0	0	0	1722	0	0	0	0	3930	8034	2085	5252	0	0	0	0	0	8390	6529	5606	319519	7918	9933	5948	0	0	0	5324	5163	0	0	0	0	0	0	0	3552	0	0	0	0	Organosulfur	0.18518518	1.5925926	0.037037037
6	C24 H39 O6 N5	494.2973	494.29807	0.17579108	494.2974	0	0	0	0	0	1232	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2343	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12107	0	0	0	0	0	0	0	0	0	0	39072	3414	0	939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.625	0.20833333
22	C27 H43 O7 N1	494.31122	494.31183	-0.024571404	494.31122	23837	28047	27147	16446	39797	19737	23297	28019	22369	17406	17022	19390	20708	14791	23013	42065	48507	22599	43192	29723	30102	16511	25072	21673	19812	45972	28771	16324	31174	30461	22721	30463	30397	26929	13147	35768	31175	23442	46977	14227	17176	23914	0	0	0	16329	20011	0	31720	36110	29277	23245	26901	0	37664	25806	18869	42393	16678	23439	34295	9867	21115	22035	15407	24452	22769	43941	27912	27779	41181	19402	22256	33726	44369	34428	0	22241	30269	20373	22340	11689	20369	10654	35705	32229	40739	21025	20602	36156	31175	23571	25535	9207	19510	0	24915	35686	21329	29834	33527	50501	16524	34853	16074	23524	35068	0	23466	25022	Lipid	0.25925925	1.5925926	0.037037037
24	C27 H47 O5 N3	494.35886	494.35968	0.006099732	494.35886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3540	0	2495	0	0	0	0	0	6919	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1373	0	0	0	0	0	0	0	0	0	0	0	0	26631	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.18518518	1.7407408	0.11111111
12	C21 H18 O14	495.07693	495.07794	0.26119146	495.07706	21798	19944	10672	16012	49638	15280	0	0	54876	12816	12706	5224	68730	8308	7116	0	6860	34244	32462	6774	17692	56312	9716	4876	0	0	0	0	0	0	0	0	0	0	18140	2288	0	5030	0	3108	16882	9652	0	0	0	15932	54684	0	0	2570	13104	16056	19876	0	31366	61492	19500	0	0	0	0	7172	118442	48488	16390	61054	16234	0	0	2966	2490	0	0	0	0	0	0	3714	14298	30786	8052	19010	1544	0	61284	15238	5812	15592	13574	0	0	0	4008	56586	18584	0	10288	13168	58780	83384	74594	4814	7218	0	0	3868	46843	0	0	82156	Phytochemical	0.6666667	0.85714287	0.0
20	C21 H18 O14	495.07693	495.07767	0.22911736	495.07706	7448	7065	7527	5087	18664	14059	0	0	23816	3133	3498	2120	54087	7768	0	0	0	16891	12676	3598	2735	12641	3086	0	0	0	1254	2433	0	0	1531	0	0	0	11473	0	1580	3196	0	3711	4676	3819	0	0	0	7102	19377	533	1822	0	5576	6244	13589	284	27397	25474	7459	1661	2258	1078	0	4356	40920	23431	6826	25187	4589	0	1864	0	0	0	0	0	0	0	366	1572	6190	9217	7818	14901	0	0	28016	8063	4775	2978	4064	0	2345	2874	2364	20345	8986	0	6414	4779	18346	27336	22049	2048	1301	0	17165	2639	15733	0	0	41343	Phytochemical	0.6666667	0.85714287	0.0
16	C21 H18 O14	495.07693	495.07776	0.18689522	495.07703	10436	12074	16087	10738	40563	18770	995	0	47444	6128	6169	4156	78176	8828	2680	0	0	38401	33841	4841	13656	38203	9026	0	0	0	0	0	0	0	0	0	4368	0	10993	0	2340	5586	2083	4124	6850	6087	400	0	0	8693	33587	0	0	0	9232	16727	23828	0	33202	38695	15104	3182	1468	2591	0	8662	84684	45941	13708	47115	13952	2669	0	0	3467	0	0	0	2208	0	0	2041	12629	32115	10279	17403	0	2255	52936	13100	6114	10208	11644	0	0	0	0	45367	18920	0	14360	12123	38013	49997	47453	3253	3009	2034	25053	0	38937	0	1947	76218	Phytochemical	0.6666667	0.85714287	0.0
10	C21 H18 O14	495.07693	495.07785	0.15466116	495.077	2339	3563	0	0	11348	2271	0	0	12839	1600	2308	1764	17138	0	0	0	0	7169	9990	0	2061	6665	0	0	0	0	0	0	0	0	0	0	0	0	2632	0	0	1844	0	0	3225	2493	0	0	0	0	6676	0	0	0	2677	2019	5261	0	8335	11020	2572	0	0	0	0	0	21654	11692	4234	11118	2554	0	0	0	1287	0	0	0	1777	1029	0	0	2277	0	3169	3260	0	0	15618	2641	1341	1866	1585	0	0	0	0	8172	2827	0	3350	3076	9882	23063	15942	0	1102	0	0	0	11034	0	0	18405	Phytochemical	0.6666667	0.85714287	0.0
18	C21 H18 O14	495.07693	495.07776	0.22261944	495.07706	9220	12050	13131	14414	32115	18207	0	0	40039	5988	9266	2863	77433	9468	0	0	0	33379	30865	3308	9555	28825	8617	1164	0	0	1729	1860	0	0	0	0	1782	0	9847	0	4506	6231	0	6299	6168	5771	0	0	0	9986	32172	449	0	0	11054	11819	16300	0	36252	33507	12026	0	2696	2050	0	12997	72735	34520	9662	41792	12247	1478	3508	0	4177	0	2019	0	0	0	0	3267	8577	13901	7021	18469	0	0	37455	15198	12639	7305	8119	3893	0	0	0	33633	15371	0	14479	5608	34568	38526	44553	3034	2566	0	23846	1598	22190	0	1960	70281	Phytochemical	0.6666667	0.85714287	0.0
14	C21 H18 O14	495.07693	495.07788	0.17843865	495.07703	11149	13016	14369	13298	31296	12713	0	0	41080	5054	12467	2324	67505	8356	3865	0	0	28122	26071	3823	17928	35403	9065	0	0	0	0	0	0	1248	0	0	3242	0	15861	1690	2160	3845	1778	3833	14643	8916	0	0	0	10043	40580	0	0	1318	11452	11547	20306	0	32588	33246	14018	2803	0	0	0	6200	85834	35994	11653	31352	10660	2113	0	0	2830	0	0	0	1510	0	0	3617	12756	0	11661	15937	0	0	45113	12410	7249	14685	11293	0	0	0	2649	48115	14415	0	8634	12307	32297	55046	53074	2307	4260	0	16404	3660	32031	0	0	62620	Phytochemical	0.6666667	0.85714287	0.0
22	C16 H23 O14 S1 Na1	495.0779	495.0783	-0.07074909	495.07785	4497	3814	4285	4222	13146	7637	0	0	10980	1769	1382	1053	32658	0	2630	1600	0	11613	5978	0	3687	8491	2225	0	0	0	1245	0	0	0	0	0	0	0	5125	0	0	2683	0	1673	3026	1570	0	0	0	4734	12611	0	0	0	4059	4082	5290	0	14578	11862	4925	0	1049	0	0	3397	25050	16702	2698	11002	3857	0	0	0	1943	0	0	0	0	0	347	0	4039	6818	3590	7281	1049	2870	18277	6816	0	1282	2012	1407	2668	0	0	12417	11642	0	3900	5187	11561	16267	10228	0	0	0	15092	0	12866	0	0	31372	Organosulfur	0.875	1.4375	0.0
16	C22 H22 O13	495.1133	495.11407	0.13658789	495.11337	180915	160717	155758	177173	228506	158322	47984	61902	293218	266151	127839	53558	410168	91322	100322	63528	26622	286510	302678	196580	240254	371398	122634	62944	45701	36005	39300	62884	49502	40316	62520	65504	114258	50008	422805	51746	98870	83933	40570	185441	144256	68908	2914	0	0	365599	1039098	822	74714	47164	144707	160846	157817	0	288524	217378	106520	80740	97382	46430	64196	147018	429484	236493	86409	243230	131278	41696	73976	84575	116612	61310	56090	49308	25986	51720	0	69022	143446	213922	111872	399556	36568	71765	230296	126399	101366	76920	97525	0	46304	109084	81816	301141	286176	0	183142	172476	197106	205686	197925	65980	77900	66644	440253	80620	187674	0	44486	396038	Phytochemical	0.59090906	1.0	0.0
10	C22 H22 O13	495.1133	495.11417	0.15036951	495.1134	31105	30619	24564	23898	33318	18680	6607	11079	43338	56755	47295	12094	54607	11590	10245	13916	12655	44616	49284	30703	48555	57883	19599	13225	3738	4592	9816	13428	6146	8677	8116	10192	15234	8964	73931	7810	16551	15076	15931	22614	42070	12410	0	0	0	33886	98609	0	11470	9886	26572	26954	23948	0	38449	33882	15774	14045	8161	13253	9545	22001	68768	37939	17618	44643	18318	23296	16717	12036	16845	8280	10444	6960	22612	9835	0	8767	28923	24553	26295	36877	5158	6678	43102	21019	22521	13963	19964	17275	0	9089	13436	60704	54046	0	27134	25374	47564	47414	42531	14079	11630	13229	46524	12721	32854	0	8029	61170	Phytochemical	0.59090906	1.0	0.0
24	C22 H22 O13	495.1133	495.11404	0.315528	495.11346	4901	4819	4468	6167	7631	8271	0	0	9952	13003	4001	2406	21585	4126	5444	1401	0	13116	7283	7493	8906	13456	3191	0	1633	0	1293	2970	0	1389	0	1292	2771	0	13553	1531	1759	1986	0	6400	4599	0	0	0	0	19111	24924	0	1601	0	6109	4244	5723	0	13971	5117	2729	2136	2992	1665	1287	10027	17441	8222	1991	8467	3322	1400	3074	6109	0	1591	0	0	1968	0	0	1700	6930	4826	2805	21214	1677	1722	12840	4300	2216	2012	2445	2542	0	3656	1361	8376	12732	0	5785	6012	7483	6589	8333	1814	1694	2169	21967	0	7137	0	1917	18665	Phytochemical	0.59090906	1.0	0.0
14	C22 H22 O13	495.1133	495.1141	0.12884969	495.11337	89131	88806	74737	79876	104836	70090	31015	38884	141652	147735	95575	35767	182474	43975	44271	32997	23764	138247	126075	105587	122270	205596	60166	39885	21913	12303	23838	27119	26483	25606	29411	37068	47967	30953	192268	29038	51352	48936	29869	72908	101032	37075	0	0	0	177849	309850	0	35571	27875	77713	80959	76227	0	137568	89150	50520	54940	50839	34234	36547	84536	213419	120715	44216	121422	59919	33545	40393	30494	55291	32452	24693	25432	21181	36576	0	36379	71303	93284	62094	167186	19889	34586	104198	61754	53121	45009	55013	36675	22809	46463	47949	178645	134328	0	92014	75762	108005	100095	96337	43441	38498	40570	253942	45398	90954	0	21571	171260	Phytochemical	0.59090906	1.0	0.0
14	C21 H22 O12 N2	495.12454	495.12534	0.14420974	495.12463	33133	28872	22443	23609	24003	15889	8512	12235	25042	28740	21920	18033	41292	6747	17041	16440	16871	31511	25286	20714	45982	68866	21824	15268	8423	1511	7581	0	11116	13552	9249	13671	21364	11720	48792	15104	19084	15367	18062	33852	52686	15498	0	0	0	67908	115297	0	13504	12807	27080	20986	15106	0	40718	24066	15596	17689	10334	15516	0	50556	62373	33910	10484	34004	18947	16219	0	8807	7777	15676	13037	13427	17137	10141	0	14182	14826	31217	15083	59719	8931	8729	27833	16814	15291	14688	21127	31824	10052	17334	27758	56528	40091	0	23799	22717	16076	18342	22547	24834	15179	18958	91719	19922	16906	0	8306	53021	Phytochemical	0.5714286	1.0476191	0.0952381
12	C21 H22 O12 N2	495.12454	495.12537	0.11628359	495.1246	27515	30251	23677	29759	22031	13840	12752	19030	35843	37295	25346	20108	36247	7121	15329	16984	28743	32631	36723	33758	50292	72370	25290	15163	6518	2216	8816	0	9016	13971	17344	15692	26710	14418	50024	13621	15608	18834	27321	34476	68506	16006	456	0	0	60234	145222	0	18331	15537	23941	21886	15939	0	36127	22793	14005	12920	17812	25368	0	47630	62511	36440	12115	39910	17591	24460	0	11608	13880	11354	15099	14212	12687	15822	0	15757	22261	21838	9630	59510	8674	10709	28381	12520	18376	16137	16466	36097	6959	19973	25255	60948	35296	0	28824	29929	23019	26696	21747	21887	17313	16309	83367	30166	20436	0	9007	54088	Phytochemical	0.5714286	1.0476191	0.0952381
10	C21 H22 O12 N2	495.12454	495.1254	0.14759067	495.12463	22908	26471	19284	20127	19177	8581	6785	14100	29964	24143	21956	13827	35444	4053	12285	13585	13624	26778	23962	20614	38851	50847	17400	16432	2018	2214	7420	3295	9404	9866	12714	10252	20602	9809	42430	10688	17118	13680	17879	30117	47528	13822	0	0	0	44533	105430	0	11539	10440	23010	24958	13920	0	26228	22253	9964	11631	12546	20488	13806	25598	47711	29964	7737	23642	11734	20985	8800	3050	11510	13270	13074	8114	13482	12161	0	13402	15388	23717	14504	40865	4933	7239	24785	10730	11762	13820	14451	23161	4617	12500	20316	48796	34110	0	23076	25671	23808	24633	16137	22126	13052	15937	61505	15710	17572	0	6833	36967	Phytochemical	0.5714286	1.0476191	0.0952381
8	C21 H22 O12 N2	495.12454	495.12546	0.14358877	495.12463	11431	11466	8632	13197	9175	3654	3044	6207	12769	9215	12731	9751	20169	2027	3431	8358	8240	13956	10694	8713	18953	26158	7073	8954	1595	528	3179	2297	3686	3961	3948	5329	8166	4239	19730	4931	6953	5996	7807	12231	24993	6994	0	0	0	18952	45516	0	6936	6378	9860	9709	6723	0	13119	12980	4728	4356	3193	9107	8207	10333	32175	15610	6457	14608	6719	13185	0	2247	7209	6901	5552	4675	4198	4836	0	5121	6332	7299	5375	14311	3142	2069	13182	5992	4695	7987	7691	8457	0	0	12361	23255	18739	0	11278	11783	10680	16596	9859	7391	4432	8495	18594	5672	8583	0	2543	25578	Phytochemical	0.5714286	1.0476191	0.0952381
20	C26 H22 O10	495.12857	495.12924	0.11594023	495.12863	37814	31478	25033	25381	35960	19318	5656	3896	45680	112458	81784	3386	41331	19628	9195	7180	3263	34628	35397	62961	72731	50671	11205	7632	7218	105842	6318	45291	4942	2175	3965	4415	10929	2908	147637	1694	7048	9145	6246	50506	38154	12008	527	0	0	39752	44712	0	4942	2703	28400	35687	18093	0	27959	26189	16444	9293	8193	7481	9524	28803	54132	29766	16191	33839	17894	4027	93981	123441	117763	2657	1141	0	2292	2799	0	5965	19995	42248	18216	40877	8709	53502	37899	22350	21671	9500	14621	6155	19508	20757	11808	58674	66824	0	29383	25009	39897	31492	27740	7175	4464	9965	27541	7777	28185	0	10037	47501	Phytochemical	0.3846154	0.84615386	0.0
28	C26 H22 O10	495.12857	495.1292	0.12160952	495.12863	2979	3791	3095	3141	5387	1825	0	0	5258	14854	5626	1201	9840	3050	0	0	0	7158	8646	7342	9787	9545	2941	3129	0	13935	1112	3676	0	0	1069	0	0	0	15955	0	1260	1030	1166	4481	7654	0	0	0	0	3661	8595	0	0	0	3424	5734	3891	0	6476	5256	1793	0	0	1229	0	3010	9009	5060	2500	8431	2144	0	15692	17391	25444	0	0	0	0	0	0	0	5172	9545	3344	3207	2282	2894	8462	4469	5638	2674	1219	1791	1194	2575	2245	10722	15409	0	4597	3331	4025	6531	8781	2749	0	0	2911	1211	6117	0	1681	9364	Phytochemical	0.3846154	0.84615386	0.0
14	C26 H22 O10	495.12857	495.12927	0.04159115	495.1286	9518	0	0	4554	0	0	0	0	5019	17377	12061	1465	3846	1816	0	0	0	4001	2930	11173	10303	0	0	0	0	12249	1839	0	0	0	1175	0	2258	1268	21136	0	0	1793	1231	4331	0	1628	0	0	0	5510	11484	0	0	0	5545	2566	1831	0	2146	2476	3100	0	0	0	0	0	4180	0	1923	4268	1190	0	18990	18803	24310	0	1805	0	0	0	0	0	3376	0	1940	4233	2636	3508	6409	0	2363	2203	0	0	3318	2780	3065	4896	9991	0	3477	5548	4910	3727	5284	0	1976	2579	0	2032	2502	0	1329	5063	Phytochemical	0.3846154	0.84615386	0.0
26	C26 H22 O10	495.12857	495.12912	-0.010644337	495.12857	10044	7597	5526	5791	8827	4406	0	0	15909	26372	13039	0	13557	4992	0	0	0	14083	12802	15561	17266	19492	0	0	0	31968	0	6014	0	0	0	0	0	0	35240	0	2091	2813	0	9270	14219	0	0	0	0	0	8583	0	0	0	7168	7413	6479	0	8355	8837	4933	0	0	0	0	6254	17865	8951	4597	12077	3887	0	25133	32965	48259	0	0	0	0	0	0	0	6759	13024	5881	6642	0	6853	17883	0	7403	3481	2837	0	1592	2322	0	23684	24335	0	5963	7850	10029	10528	10505	0	0	0	0	0	6737	0	3057	13851	Phytochemical	0.3846154	0.84615386	0.0
24	C26 H22 O10	495.12857	495.12915	0.015107983	495.12857	14255	17306	15067	11675	19593	9488	2089	1432	23830	52633	32136	1444	24166	9528	2583	3520	1848	19623	22116	33496	28088	30338	5331	1863	0	49321	1547	21212	1975	1483	1469	1340	3812	1267	67146	0	3408	4130	1695	19032	15152	3443	0	0	0	14626	25449	0	1622	0	14201	14251	9359	0	23082	17258	7386	3725	3251	2025	2419	13851	27932	19542	6913	20794	5099	0	47958	60873	77782	0	927	0	1213	1538	0	3265	13342	17531	10969	19058	2221	16010	30061	14328	11220	5044	6563	2935	4651	6574	3215	34899	36809	0	14165	15851	19743	22091	17065	3063	1288	3708	17102	5056	18040	0	3458	25800	Phytochemical	0.3846154	0.84615386	0.0
18	C26 H22 O10	495.12857	495.12927	0.11761372	495.12863	30928	23653	19091	17250	25484	9615	3132	6081	26524	92377	64014	2437	22116	12632	3881	10286	2512	28138	31789	56516	42729	37217	10719	7537	9129	83908	4950	43913	0	1689	2710	3375	4538	0	116600	0	5971	6585	5064	37267	32725	7380	453	0	0	34826	28264	0	4309	1942	23716	26439	14127	0	20676	22062	10630	8202	6310	5063	7086	21821	39528	21397	8013	20254	15124	6697	72633	89509	104799	3027	0	0	1784	0	0	4091	17333	29255	14485	31690	8003	25314	28667	16075	16056	7848	12827	12484	6237	12404	4021	41445	55387	0	23693	17491	28264	24086	24879	3565	4503	6705	17459	3215	21662	0	7357	27412	Phytochemical	0.3846154	0.84615386	0.0
22	C26 H22 O10	495.12857	495.1292	0.056906644	495.1286	21070	27343	22855	26352	36624	18069	2322	3444	33557	103538	64780	2577	29017	14648	6363	6567	4130	37055	37524	55663	56162	47312	12231	6289	10468	77118	4651	43446	2149	1913	2718	0	6528	2288	128480	0	7388	7481	2897	30942	34531	8162	0	0	0	35100	38772	0	3485	0	24806	21046	24485	293	35377	30867	13050	6404	7786	6591	7267	25618	44902	25723	11876	26431	12196	5363	72587	93275	118611	1851	1845	0	1409	1320	0	3556	20691	36129	15539	29804	6330	31294	38647	19828	16081	9487	11130	5082	9596	9956	8823	57189	63151	0	27957	18753	35246	33204	27274	4497	2678	9044	20359	6082	29590	0	6285	39291	Phytochemical	0.3846154	0.84615386	0.0
18	C23 H26 O12	495.1497	495.15042	0.1052192	495.14975	435772	389287	390164	381155	342172	307140	175090	337262	431102	881864	318802	163490	584506	197032	294604	254794	100068	533420	498214	762260	642214	621368	314126	298056	214398	263258	154210	222434	309770	263644	322208	289803	343420	257482	1041722	269544	370836	226985	148374	600738	313349	181952	8964	1464	690	2115919	1351994	1090	284510	248166	388740	422374	269962	1222	571832	281060	175970	267516	340379	136502	269245	424856	619230	397792	163430	370328	252460	148832	265374	527724	390162	298276	251272	280010	133056	267620	736	239967	303138	279588	250123	753681	190632	329320	336653	224896	238942	175844	232276	135424	267622	354156	321786	357064	565524	2350	417110	387134	390566	245088	221300	241866	199524	286850	630942	224930	272712	0	177398	529462	Phytochemical	0.5217391	1.1304348	0.0
24	C23 H26 O12	495.1497	495.15045	0.32016712	495.14987	13280	12293	11011	12941	14555	12875	3570	7237	15519	40929	9242	5468	28542	6168	8944	9342	3533	20886	19063	30753	28382	16496	9119	9595	5110	0	3072	7885	4809	2977	5217	6579	6232	7034	33851	7024	6523	8896	4934	20630	9929	2462	0	0	0	39446	32383	0	7424	6569	13912	14569	11010	0	19649	10174	5574	8270	10681	7421	7059	19693	26436	15088	6505	15313	8691	4532	11989	23000	9706	8566	7053	4566	2626	3506	0	8395	11669	8374	10980	28591	5566	11088	21858	11122	9089	3884	7434	2807	10527	9934	8240	14235	19463	0	15936	13031	12524	8285	10343	3531	4086	12034	28944	6661	12038	0	6097	26684	Phytochemical	0.5217391	1.1304348	0.0
8	C23 H26 O12	495.1497	495.15063	0.21100652	495.1498	28853	32303	21829	32230	11601	10242	13528	19885	24598	80564	55339	20113	46698	6116	17168	22450	25883	22274	24413	62082	41119	56731	17699	18701	5840	10040	11372	16512	14108	23288	17484	23299	17689	18332	105083	16605	17472	14156	21831	29023	60239	11999	0	0	0	31088	127444	0	22689	22686	29054	24429	11999	0	31439	25660	13210	19940	14958	26902	18674	16229	62815	36221	12002	20191	11846	24458	15202	14413	37142	17544	19243	15244	33602	19125	0	14789	25832	20146	25687	24321	18419	13987	23322	0	18259	8878	18665	32067	0	15238	27966	28179	30106	0	28319	17212	24269	42186	16246	20270	16051	17990	17662	20844	15416	0	16400	44126	Phytochemical	0.5217391	1.1304348	0.0
14	C22 H26 O11 N2	495.16095	495.16168	0.05508449	495.16095	93633	89413	79912	92341	44309	53419	65485	96084	76390	140014	66145	53353	87465	26611	87061	93708	58369	83804	79502	132293	128940	184279	83873	108874	71433	16395	41963	34682	88661	85657	84806	99242	123953	77248	192655	79783	104259	70183	61013	142778	88740	50725	0	0	0	147018	143573	0	95366	79513	94919	86365	49875	0	106337	47641	38870	94969	152872	59679	101137	98795	93321	70305	36141	70867	58474	58040	16042	50178	31667	94716	77225	88771	51607	76229	0	75061	70481	73769	56845	93415	62819	56725	46681	46779	63084	47109	53785	81015	83836	114950	152405	88713	102403	0	101369	101660	34365	42456	30966	109289	56463	126682	148532	91276	38121	0	62687	85964	Phytochemical	0.5	1.1818181	0.09090909
16	C22 H26 O11 N2	495.16095	495.16165	0.06555564	495.16098	58706	58969	59562	64176	39673	35352	45039	74636	49045	79012	32261	39964	55744	15442	64928	50371	38297	65068	69140	78549	71419	97829	54376	65340	54537	9432	30553	27040	70929	48623	61647	64920	63292	49249	116985	65579	83288	46708	37410	95113	44653	31483	609	0	0	102036	66748	0	68982	58387	57045	58981	37937	0	63400	33502	26234	57567	79775	28283	71662	63769	67400	46301	19965	51014	37336	36551	15957	38335	17487	60117	58293	60337	40496	53066	0	44389	55632	41405	35004	64314	47381	44830	33057	31897	41149	28583	41541	49600	55357	85307	112887	52361	71518	0	56829	60982	22496	22122	23152	66459	39001	63505	71052	70736	28274	0	48779	73040	Phytochemical	0.5	1.1818181	0.09090909
10	C22 H26 O11 N2	495.16095	495.16174	0.08866337	495.16098	71471	77842	74309	63410	33194	35979	43428	81284	46692	113033	59855	49289	57894	18170	52394	66397	49514	56827	57626	99325	104492	135628	56281	75741	31299	12400	43098	20782	64636	58126	60796	76036	81012	60967	141513	66974	81311	44240	65180	98654	99223	39065	1055	0	0	106814	124268	0	62720	56784	73849	72417	37287	0	63230	35697	28843	76395	65253	58881	86375	74934	62265	56327	27602	55762	42059	71756	25720	35520	32257	65888	64001	62751	44946	54656	0	47360	55859	57901	46546	69049	44601	38838	38207	30446	45602	36937	35986	74531	51176	78466	102658	77798	94110	0	76358	78643	30168	42808	36599	70590	44192	92804	104613	66839	35745	0	39491	64126	Phytochemical	0.5	1.1818181	0.09090909
18	C22 H26 O11 N2	495.16095	495.16165	0.1357886	495.161	29439	24308	30002	26686	15394	17783	17211	24920	22245	43820	15915	16434	28791	8658	30014	26579	16598	31023	29782	32815	27120	39489	21696	29549	22204	7124	13079	7836	27351	19767	28747	25851	34343	22750	44283	26156	34853	22091	15414	36387	16573	13466	488	0	0	52067	32569	0	31746	26419	21452	25436	14794	0	33906	12538	13295	30858	32197	9446	33156	33337	28782	18899	10700	22584	16741	15655	8412	10719	9801	35640	25054	18941	12380	26107	0	23796	21516	20171	17115	30068	21965	22707	17154	16296	24768	15874	19808	24050	21200	32106	45930	18929	38187	0	22591	26716	10887	8303	12786	29013	17431	38001	37445	29846	12766	0	22116	35339	Phytochemical	0.5	1.1818181	0.09090909
8	C22 H26 O11 N2	495.16095	495.16177	0.05731904	495.16095	46274	45830	33470	42006	26350	14967	19167	38750	31687	66366	38868	24613	41640	6960	26585	35000	32424	28442	33185	49092	68689	75702	29279	45042	14353	4974	18507	13534	25529	27114	25204	35177	40266	24568	82524	34179	36411	22078	39462	48055	68425	23217	0	0	0	50629	83321	0	40108	31439	42942	46455	20073	0	37876	28450	16707	31482	29188	37435	38984	38391	46017	37451	15353	33347	23316	46927	11776	15388	22588	32541	28159	29805	24767	32318	0	23383	38947	26792	27140	36195	21605	22790	39276	16336	26242	21898	19166	45978	17212	41280	57383	48864	54351	0	48272	41415	23981	46046	47011	39769	22159	47279	30341	37260	24888	0	18981	43852	Phytochemical	0.5	1.1818181	0.09090909
12	C22 H26 O11 N2	495.16095	495.1617	0.07653888	495.16098	104328	105581	105092	85211	47540	42692	71265	123287	62700	131214	76540	58842	82844	18731	71667	76237	65494	76272	92763	143034	133279	182852	84975	100080	54059	18325	52048	35835	94868	73391	93315	82149	115311	85651	203873	87162	100207	77307	81888	157052	122826	48586	611	0	0	147381	153799	0	90530	88721	91823	93131	51183	0	102628	38437	37952	92529	126042	83610	95334	114770	96819	76476	28337	76906	53569	87385	19795	47391	45918	88200	86891	78778	53266	80103	0	66333	72682	61058	61693	108211	69637	60997	53982	38251	73300	44321	58342	105585	70373	103981	137647	105811	89486	0	93439	107119	42783	42888	41687	108474	67048	112531	126593	90469	41259	0	63834	92536	Phytochemical	0.5	1.1818181	0.09090909
16	C27 H26 O9	495.16495	495.1657	0.15529755	495.16504	12048	12204	13113	13835	10935	5118	5063	9412	13356	33081	27063	8545	5474	9361	7383	4763	5192	7897	11689	33028	25521	12838	4405	8556	5465	50597	4243	14775	5610	2442	6619	7623	7306	7375	42880	6308	9132	6416	9691	18991	20507	5385	344	0	0	17429	15295	0	6273	6745	15492	15808	3022	0	5730	9561	5354	4719	8675	5082	0	11210	13719	8617	4273	12375	6848	0	47222	48051	70159	4280	4135	7338	5405	7280	0	6066	13801	9284	10216	10763	8975	16017	12494	4822	9664	4157	6517	0	6776	0	0	11491	14006	0	10701	13421	13370	12711	11134	8349	5593	8480	14329	0	11804	0	8951	12797	Phytochemical	0.33333334	0.962963	0.0
28	C27 H26 O9	495.16495	495.16556	0.08930958	495.165	6509	4436	4483	5864	7813	1623	2133	0	6731	14248	10938	1081	12101	4386	2568	0	0	5522	10372	8396	12335	7109	2555	0	0	25238	0	6570	0	0	1163	0	1211	0	16941	0	1792	1923	1242	8519	9294	0	0	0	0	5208	6942	0	1421	0	6206	5072	5166	0	7883	6652	3058	2290	1209	2351	3275	5084	9694	6584	3033	9683	2570	1170	24106	27126	40381	0	0	0	0	864	0	1254	6100	7261	4413	3214	1673	7926	12994	4244	4479	2169	2593	2795	3429	3505	2323	10122	6959	0	4505	4856	7229	11736	12155	2066	0	0	2886	1504	7109	0	2420	8151	Phytochemical	0.33333334	0.962963	0.0
22	C27 H26 O9	495.16495	495.1656	0.045639705	495.16498	51125	49478	41983	44635	55215	32286	10712	18169	68065	146263	120464	11134	59232	35705	16558	17717	9795	51139	58479	129265	139336	60155	31773	22910	19758	223067	12737	112663	14374	8722	11321	10823	15977	11614	188000	8369	18367	15374	9845	83941	83220	19527	0	0	0	66705	73875	0	10898	9657	47652	52165	34240	0	49926	52176	22005	21231	16216	13998	18620	63987	71327	43072	26421	57695	34617	13150	193296	227499	261886	10205	9614	6659	10769	15734	0	11958	40426	41505	37024	45554	17747	70756	75872	38025	39021	17807	22741	21601	20169	26613	27901	61407	68772	0	44668	44496	52215	63642	58345	21844	12374	21148	37148	19674	47386	0	17095	66305	Phytochemical	0.33333334	0.962963	0.0
26	C27 H26 O9	495.16495	495.16553	0.035455137	495.16498	13025	15269	9878	12978	16243	5228	1475	0	19035	30865	24564	0	28762	10599	0	0	0	17006	15462	26418	31160	17193	7716	0	0	59063	0	20556	0	0	0	0	2842	0	43936	0	3408	4346	2652	20897	23811	0	0	0	0	21029	20531	0	0	0	12445	12214	12718	0	20730	14995	7349	3662	4190	0	0	10427	33099	11327	4439	14573	9538	3424	64272	67425	92127	2974	0	0	0	2493	0	3706	13308	12235	10546	8985	4525	16616	26995	7403	8197	6985	5419	2479	3780	5181	4980	19765	19569	0	11153	14176	16464	26997	19970	0	0	0	11943	3508	15455	0	4635	23100	Phytochemical	0.33333334	0.962963	0.0
18	C27 H26 O9	495.16495	495.16568	0.097098336	495.165	37947	30503	29003	24024	29806	14448	8227	13123	31262	93459	64857	8901	33897	23625	14949	16467	11927	26449	35132	86123	72815	33382	19541	13838	11527	116691	14732	54895	13811	10969	10412	7220	18233	12773	97021	9499	11176	15191	13331	49117	47295	12696	0	0	0	31377	35126	0	14897	8430	36646	34763	22527	0	29581	27658	14800	16885	13311	8843	20948	25124	37345	18309	13433	33190	16609	13655	97307	139100	169969	9593	9999	7150	9507	13564	0	7797	29796	24519	20247	28396	12703	41774	35453	17762	21846	13896	15094	18251	23907	21283	25478	33294	45017	0	31648	24300	37095	29814	30615	12104	8658	14402	22035	12533	23494	0	16516	31038	Phytochemical	0.33333334	0.962963	0.0
20	C27 H26 O9	495.16495	495.16562	0.0842828	495.165	57232	53035	48240	40307	57645	35324	12735	20309	66781	159710	118646	15405	60477	36814	21803	26971	13706	45833	51960	113077	123623	55155	27058	25743	18861	206346	17004	92998	15399	10161	17221	13466	20055	10672	185972	12808	26557	16013	21060	77699	91627	20138	1156	0	0	55989	59712	0	18479	11317	49739	56857	37223	0	49717	55378	20550	23909	18271	20338	24833	54859	66216	45243	26209	59110	31278	14723	165086	233204	262825	18228	14939	10992	13035	11282	0	13010	44489	42383	31833	35918	17319	88458	52177	32617	36614	24934	25785	21689	27549	30175	30001	58408	72744	0	47149	47688	58083	50836	54732	20137	14625	21366	42630	21433	42933	0	20150	63427	Phytochemical	0.33333334	0.962963	0.0
8	C21 H26 O10 N4	495.17218	495.17307	0.16723722	495.17224	9484	12320	9492	14581	5511	4499	5317	10161	4918	8823	6643	8878	11383	1798	8915	9193	14395	7120	9998	20344	8763	16676	10432	11726	5083	758	6223	2612	7914	9665	7949	10006	13234	8737	27900	8636	10812	8905	10286	16415	7409	5387	0	0	0	9396	9957	0	8671	6135	10693	8971	4421	0	9073	4175	3443	13201	9947	7135	9585	7643	7334	9251	5433	8712	7350	12313	0	1753	2393	11154	7995	7594	10531	7099	0	6137	11108	4788	6857	6985	6221	4107	6611	0	9665	5884	7566	20706	0	10866	25312	7679	5992	0	10496	11328	3356	6624	0	10640	6269	6295	0	11069	2707	0	6492	11359	Peptide	0.47619048	1.2380953	0.1904762
10	C21 H26 O10 N4	495.17218	495.17297	0.14735939	495.17224	7117	7000	4893	6563	2006	4525	6097	7479	3395	0	0	5878	2780	0	7572	8975	4823	5746	9452	0	3341	8422	8272	11707	5763	0	2977	0	7689	7364	6429	8803	10104	6097	0	8989	12127	4843	8363	4366	2541	4044	0	0	0	4491	5051	0	6297	6149	4370	8979	2642	0	6035	1994	2914	9858	8128	3568	0	4458	3225	3597	1576	3969	3053	8483	0	0	0	6068	6570	6664	3959	3838	0	6479	4873	0	4515	2831	4004	0	3481	3423	8466	4423	3925	13265	7033	6760	20358	5054	3282	0	7916	5004	2217	2406	2277	7067	5066	8208	0	7742	2564	0	5378	4855	Peptide	0.47619048	1.2380953	0.1904762
22	C24 H30 O11	495.1861	495.18677	0.08691589	495.18613	116189	116710	115204	115229	99670	100685	47624	112979	140303	281658	83354	53094	145400	57913	105180	86115	36929	172911	138472	236448	206671	129004	102888	118916	105017	97092	42117	64925	107666	79514	109302	105988	102940	92956	288730	93414	131619	80110	44372	157132	68788	56253	0	0	421	184035	109257	0	91638	94578	112134	123102	91969	456	174728	90354	58291	96464	111203	32368	93720	103377	161137	121061	47953	112007	68677	48600	78150	221892	111459	122247	88870	100139	44829	95634	535	89769	98295	45589	85263	108933	66339	81668	99294	71840	75026	45648	72127	40932	91884	138068	125397	74606	100885	0	110832	115248	81363	68351	63252	90318	74349	100405	103989	96143	71928	0	71312	191157	Phytochemical	0.45833334	1.25	0.0
26	C24 H30 O11	495.1861	495.1868	0.23925896	495.18622	10532	13116	11162	11081	6960	8752	1875	13900	12085	31436	8422	0	19116	5700	12279	9484	5532	21779	19185	28900	27137	12665	10306	7076	7153	11601	3587	7611	7300	8651	9378	5704	9716	7080	33120	5196	11079	6583	4189	18868	7334	0	0	0	0	23829	13769	0	8037	7853	11555	10106	8670	0	19667	9894	5644	8509	9909	0	8286	10531	16288	10537	3019	8649	7840	3580	0	21902	9873	10372	6614	0	0	6595	0	7800	8968	7854	7650	11500	9968	7757	8478	0	8082	3821	5515	5501	11127	13676	14039	8509	9439	0	11475	11952	8192	6984	6609	5183	6268	11175	11069	7869	0	0	6254	18909	Phytochemical	0.45833334	1.25	0.0
18	C24 H30 O11	495.1861	495.1868	0.11608017	495.18616	482835	447178	431863	418726	320929	291881	233399	498125	392376	1185417	392840	228163	496336	187243	409845	334085	165628	457680	504338	936899	738859	1079738	397417	879196	344037	379656	203407	340661	444839	363208	447215	433232	460760	407129	1302770	425239	455131	308400	203240	1297630	296317	224178	8537	1098	949	684994	360158	908	446384	379456	442387	450244	281656	1093	580013	280409	191327	411256	450485	179081	376982	804976	516543	412746	168378	352310	278604	216431	302069	736206	433667	467996	392003	449690	199449	437102	392	336865	345902	226101	329156	416057	306716	335483	288488	238488	278108	198941	262948	208124	407421	509178	992326	253968	431664	3109	445454	435233	313206	232241	217983	361007	260704	450482	359494	349931	227520	1075	269332	487809	Phytochemical	0.45833334	1.25	0.0
24	C24 H30 O11	495.1861	495.18677	0.14726369	495.18616	35546	31721	39676	38511	31108	27954	12443	32472	43151	94526	26621	19110	53207	15537	29929	27362	12035	55077	55059	70274	66960	40526	28096	37531	25847	28950	7847	18383	24761	17971	22561	23811	31092	27298	94233	24571	34380	21284	14213	41564	25766	11928	0	0	0	58298	33429	0	27352	23246	34480	30140	23639	0	55887	30235	12650	28339	28738	11053	24813	33785	49440	35557	13392	35272	23271	13124	31188	63077	44767	33881	22752	28265	14373	22376	0	23642	33004	8960	34503	37038	19881	23100	31846	19667	23659	12751	17793	12647	28492	29209	35269	19009	38754	0	38147	33508	26381	23509	24542	20891	16209	30002	35226	23419	16453	0	21553	66542	Phytochemical	0.45833334	1.25	0.0
6	C23 H30 O10 N2	495.19733	495.19824	0.042213365	495.19736	15023	14187	14730	15140	7044	7647	7901	16359	9822	21739	11200	8037	13958	2509	11304	15884	10736	12607	15889	16310	20026	28301	13021	21883	7352	2434	8037	5522	16208	12619	14888	15003	19936	12175	26493	15395	16758	9509	14393	16993	15318	7399	0	0	0	17938	15341	0	17282	16286	13026	15919	7519	0	14776	7645	5490	17052	10894	12079	18465	12541	16642	10727	3641	9656	9597	14596	3684	6526	5983	12353	13726	10602	6714	13013	0	9838	9719	8596	9593	8953	8583	7308	8341	5213	12958	7616	9744	19625	14112	25319	28075	14354	18187	0	14988	16555	5988	7101	9148	16810	8713	21113	8046	13914	6246	0	10572	18242	Phytochemical	0.4347826	1.3043479	0.08695652
12	C23 H30 O10 N2	495.19733	495.1981	0.030611023	495.19733	64603	71480	61638	58041	29501	31390	61635	94729	32894	91157	49547	39008	36758	11097	65916	57458	43807	45909	53455	102020	85179	128907	65958	82442	63293	17840	35958	42137	83938	51391	72873	60960	107813	70060	0	70046	75448	57193	55513	93562	59500	35201	456	0	0	94673	56218	0	78138	61080	65919	55236	36083	0	55307	24867	24209	79372	88029	42058	63897	65399	37435	38040	18510	40956	33902	58306	0	44971	27997	73777	64783	75975	33580	56765	0	53342	52133	32415	47438	50499	59840	44822	29947	26049	57029	24994	37795	93897	75595	111881	132229	65210	63766	0	66807	69416	29288	24035	26709	74614	40627	89576	67159	66817	24631	0	53786	60400	Phytochemical	0.4347826	1.3043479	0.08695652
18	C23 H30 O10 N2	495.19733	495.19803	0.056129757	495.19736	34588	31912	35269	32881	13522	20629	26250	47966	23429	61545	14154	19150	31858	8460	44141	29595	15411	32415	38599	46315	35794	57900	31553	49114	45797	4845	20385	17419	52796	37895	44564	47126	51732	35177	63763	45810	67307	30840	14226	42690	16827	22786	397	0	0	43456	12851	0	40297	32840	36223	35733	21584	0	37820	15819	16890	41671	54436	12388	45938	34472	25381	24949	12281	23175	26712	14826	5307	16188	6446	50423	38970	35296	20153	36764	0	30268	26640	14224	27934	23704	38562	27251	14745	19985	26835	19316	26089	26426	56925	79869	81664	16548	39762	0	37101	33111	14912	11518	10695	50494	20422	49296	20314	43043	14494	0	31894	35396	Phytochemical	0.4347826	1.3043479	0.08695652
14	C23 H30 O10 N2	495.19733	495.19803	0.001103125	495.19733	82210	88329	85384	78035	28905	36166	60552	110816	47287	136188	52796	47804	52886	18219	80409	88384	45591	60397	63144	134647	89824	152023	74621	116774	87866	17096	56017	50009	93932	76771	81247	105114	123805	78582	149248	88622	101728	74911	52301	110227	54731	47205	0	0	0	104419	58108	0	90259	72872	77749	80701	39332	0	75347	28524	30243	107962	176890	38025	106742	79971	54604	52752	26960	44646	51780	47724	16406	55964	24981	85580	78241	94796	41090	78952	0	65594	64079	47461	56339	55292	72608	59235	31552	36637	65279	35201	52897	94844	117563	134056	153935	55214	78161	0	73518	69995	24201	34639	28323	104083	56433	122808	63348	87685	30102	0	63159	56346	Phytochemical	0.4347826	1.3043479	0.08695652
10	C23 H30 O10 N2	495.19733	495.19812	0.041736387	495.19736	53638	52885	46847	48376	23704	19921	33405	59530	27901	79300	30470	28445	35392	12785	42447	47027	29200	34013	43187	68731	64708	78538	38824	57864	36217	11007	34489	25150	52127	42489	48121	57440	65391	49217	89108	50167	62016	32429	38091	71245	49114	25668	0	0	0	65458	45070	0	63470	45553	46432	46001	20905	0	37645	28892	14922	55017	51469	29879	58732	39581	31320	34280	16837	31266	27748	44925	10412	24370	17793	51142	40797	50074	29312	39987	0	32754	33802	31390	31344	31001	35694	30493	29818	18205	38349	24280	26773	48092	60535	71196	86878	40089	52688	0	51961	52650	18641	31914	28013	56393	27640	69213	28135	50646	24741	0	31994	34659	Phytochemical	0.4347826	1.3043479	0.08695652
26	C28 H30 O8	495.20135	495.202	0.053240433	495.2014	30416	25920	24212	24773	35193	17130	5960	14827	33761	51511	50617	9575	50217	22949	12536	17394	9331	28703	40182	54418	70793	22874	13308	17659	9159	133812	4335	52141	9849	9030	15958	6131	16099	12168	59089	9259	16253	12216	14041	44815	52758	11293	0	0	0	36622	34849	0	12726	9335	25771	25943	25668	0	34276	37829	19852	16249	11441	10254	13472	30892	35978	28217	13439	35712	23066	13060	153770	115175	153170	11546	9343	0	0	8952	0	10206	25700	21179	24535	15817	14596	37186	51863	17411	20481	13397	12572	14249	11386	14143	24096	28389	31878	0	24426	29238	29119	46650	47727	13562	9974	21289	15876	14468	31656	0	11014	35492	Phytochemical	0.2857143	1.0714285	0.0
28	C28 H30 O8	495.20135	495.20203	0.090414345	495.2014	8369	8267	8740	7024	8808	3215	1472	3748	11142	15860	14218	2567	16964	7885	3027	6451	4526	8772	13169	13052	19503	7078	4383	6772	2861	41438	3980	14629	3269	3245	3729	0	4434	2902	20775	0	4305	1498	2878	10052	17353	3607	0	0	0	6951	8440	0	2834	3422	8373	7768	9140	0	8281	12404	3965	5658	2587	2278	5288	7062	11207	6690	2404	12465	6517	4290	44242	35976	63003	3741	1283	0	3307	2869	0	2163	9539	7161	7114	5397	3199	9618	16394	5585	10238	3681	4659	4039	3987	4971	4271	10950	6636	0	8299	5922	10238	16817	16972	3450	1661	6065	4220	3324	8851	0	3027	11561	Phytochemical	0.2857143	1.0714285	0.0
24	C28 H30 O8	495.20135	495.20193	0.025111305	495.20135	80987	67446	65305	70098	80569	46756	17534	36449	84897	149570	138263	23481	92640	51336	34533	46993	27700	68268	86894	157934	147260	63284	41255	42357	32894	303560	22857	133862	30640	26833	33334	28904	35190	24925	179534	31863	37238	27890	25821	119392	110808	30997	2280	0	0	76446	75805	0	33886	32648	74844	66533	54911	0	68038	70720	33755	39115	33753	25499	44474	69247	83285	65012	30857	81442	48418	26822	278026	300958	353740	31153	26858	22212	16739	30049	0	30232	65320	53901	55777	51344	35566	99317	96242	46221	60452	33567	39556	42304	37544	48997	60575	62816	68256	0	72405	68467	69875	93522	93188	43460	23533	44675	49869	34520	73053	0	32532	81197	Phytochemical	0.2857143	1.0714285	0.0
18	C28 H30 O8	495.20135	495.20203	0.02356456	495.20135	46133	42630	39886	33316	26727	17336	20830	23073	32750	56024	47291	24778	34132	23220	27248	38399	31666	26234	34190	65341	75075	31378	32381	37845	18157	127643	26966	45463	24022	27343	29653	30692	29846	25237	43645	29016	29661	24667	34423	39002	55034	17789	403	0	0	28675	40757	0	31336	28337	36112	36890	24882	0	36390	37092	19601	37964	21979	25550	32265	28430	37983	27630	18932	37458	22252	35932	83720	130853	159667	22355	19227	25856	25248	32637	0	20555	47379	25964	38607	30829	28045	41030	40649	22244	44946	19332	22771	42495	25681	33083	36531	26045	32423	0	35878	39165	33399	37469	41875	35992	18812	31825	17833	21524	28160	0	28455	26914	Phytochemical	0.2857143	1.0714285	0.0
8	C22 H30 O9 N4	495.20856	495.2094	0.08865296	495.2086	11038	8806	9516	12578	2980	7150	5134	7383	3105	6152	4186	3137	2001	0	7528	8976	8401	3920	3525	2810	3383	13093	6028	10428	9210	0	4140	19009	8962	5382	7135	7371	13338	7941	3594	7465	9611	7476	6476	5742	3810	2595	0	0	0	4658	2966	0	10220	4902	11725	11361	2694	0	4184	1178	2436	10716	4609	3599	0	2521	2402	2186	1937	3220	3047	7834	0	1732	0	8465	5294	4573	3690	7197	0	5317	3540	74197	2544	2433	4753	3112	1624	0	5659	3552	4919	11692	337590	113413	17295	20370	11346	0	9119	8343	0	1283	0	6079	3056	7740	0	9288	0	0	5816	3898	Peptide	0.4090909	1.3636364	0.18181819
12	C22 H30 O9 N4	495.20856	495.20938	0.26392627	495.20868	5195	0	0	0	0	1966	0	5702	0	0	0	2430	0	0	6352	0	3416	1340	3939	0	0	0	2611	0	5551	0	0	0	4541	2359	3372	4004	7744	4272	0	5059	3881	4616	3991	3077	0	2368	0	0	0	0	0	0	3427	3521	0	3494	1443	0	3301	1029	1798	6139	0	0	0	0	0	1692	1548	0	2860	0	0	0	0	3298	4046	1734	1648	2527	0	3703	4047	17846	2717	1492	3593	934	0	0	5130	2633	2419	7287	68514	26089	8671	4927	1674	0	0	4204	0	1446	0	4922	2992	0	0	4590	0	0	2732	0	Peptide	0.4090909	1.3636364	0.18181819
4	C22 H30 O9 N4	495.20856	495.2096	0.21075006	495.20865	2611	3082	2218	1902	1143	1875	895	2892	954	0	0	1493	1313	0	3212	2382	4500	1740	1078	1365	1019	2003	2777	2312	2213	0	1291	0	1762	3396	2918	2018	2967	1347	1136	2777	2958	1546	3797	0	852	1544	0	0	0	1835	1378	0	2473	1626	1897	2392	836	0	2179	599	457	2378	1805	1438	3031	0	1708	1396	0	1042	1599	3175	0	0	0	1183	2003	2470	0	1931	0	1583	2589	17447	1180	957	1114	824	1915	786	2169	1204	1213	5696	20357	8956	5279	3208	1509	0	3168	2780	955	852	631	2785	1478	3222	0	3022	782	0	2551	1693	Peptide	0.4090909	1.3636364	0.18181819
10	C22 H30 O9 N4	495.20856	495.20938	0.15707922	495.20862	8035	8342	7219	6586	2772	3745	6070	5862	1135	3366	4052	4379	3080	0	4680	5914	2556	3082	3228	0	2665	7059	4436	9784	6377	0	3999	14296	5501	6220	4454	5848	6926	5027	7593	6426	8877	5126	4636	2352	0	3537	0	0	0	5262	0	0	7437	5623	9370	5764	2141	0	3117	1556	1479	8609	6033	3719	0	0	1973	1698	0	2484	1702	7154	0	0	0	5357	4685	8096	2578	5994	0	3478	4193	43178	3039	2855	3760	0	1362	1984	5898	2680	2121	9782	269921	84564	18089	13081	12054	0	7174	5963	0	1225	1499	6777	4025	7047	0	7016	1756	0	6021	2018	Peptide	0.4090909	1.3636364	0.18181819
6	C22 H30 O9 N4	495.20856	495.20956	0.14172284	495.20862	9173	8806	7846	5809	2170	6287	5518	5920	3173	3854	2578	3714	2507	1334	6003	9284	5660	3824	4741	2685	1975	10131	4794	9269	6496	0	3399	15014	7140	4351	5673	6543	8211	3989	4839	5351	10508	3068	6960	4477	3010	2679	0	0	0	6130	4667	0	7275	6192	6792	8174	2720	0	4339	1022	1756	7881	3688	1851	8477	3458	2014	2832	1089	2321	3087	6043	0	0	0	5794	3396	5318	2831	5167	0	3279	4632	46334	3475	2684	3053	2135	1525	1051	5697	3886	2748	11677	121263	49295	12333	10571	8786	0	6829	6016	710	509	1275	7426	4286	8899	0	8954	1085	0	4443	3217	Peptide	0.4090909	1.3636364	0.18181819
26	C25 H34 O10	495.22247	495.22318	0.0784995	495.2225	21833	19571	18907	16288	11381	15056	8889	26064	21794	48879	13498	8520	26946	9719	14579	18923	19259	32925	30054	51523	42177	19998	10998	26694	10908	13605	4977	12601	20765	14067	20239	14129	21950	18130	57566	15628	25893	12164	13511	21373	9892	7401	0	0	0	11987	14169	0	20408	14323	19619	21447	13123	0	33186	17504	9707	23083	12980	5509	25686	13098	31504	20520	6287	15521	13329	13909	18624	41170	31521	18513	17126	13202	10089	14088	0	13524	18637	7418	17245	13285	13416	11331	20763	7072	16042	8848	13220	12426	17780	19192	29682	6380	11147	0	20751	14580	12164	12316	14752	19937	10935	17892	9089	20293	11497	0	13467	26468	Lipid	0.4	1.36	0.0
16	C25 H34 O10	495.22247	495.22318	0.02191559	495.22247	187046	170872	167925	162378	91449	80084	138904	207725	118926	230727	141234	123915	124244	58173	164257	195031	169823	122169	145714	246892	207692	150089	167567	193057	151507	154288	122737	122839	169426	174681	180953	192955	213156	139354	240754	180908	190121	142634	181468	310096	147706	86925	2461	539	507	278370	136102	835	188970	176263	164105	161173	97382	762	155229	112350	81305	181897	294286	121440	213268	92364	140326	121553	59965	115753	101003	161880	126228	188289	174745	152064	153385	200892	165508	185509	0	135283	191034	92827	154564	109262	150562	122434	126557	90328	185435	85145	110180	222632	165545	154188	249540	94657	124864	1298	175758	182157	88360	106582	116042	194741	110254	178163	100485	176452	99036	588	152252	140437	Lipid	0.4	1.36	0.0
24	C25 H34 O10	495.22247	495.22308	0.032392472	495.2225	90599	90945	85643	85565	74553	75593	39829	98214	96140	202496	67594	37139	131673	43278	86437	86827	29858	122633	130753	174145	150312	97274	79543	89739	75435	67111	32801	60501	90931	68012	83818	80063	107921	97497	245304	84275	134510	56307	39766	105629	52935	34470	2624	0	0	98542	42729	0	89774	66062	80481	78093	57331	0	131690	64000	38173	89819	90202	24882	105564	63361	122545	90902	30478	92221	53283	40496	61354	168357	85703	120275	80461	98005	39644	67985	0	73201	68537	26383	66165	53576	51988	54586	65464	45232	61493	43618	61043	29916	94988	106741	132192	33906	70152	0	87826	76150	49534	48414	56345	72469	46492	79614	48309	88771	49089	0	50460	129868	Lipid	0.4	1.36	0.0
12	C25 H34 O10	495.22247	495.22327	0.101791665	495.22253	27030	32742	26863	25764	7841	8514	25131	34539	10923	23812	17145	17987	10818	5650	20374	35809	29871	10147	10094	27882	21868	22150	16965	39668	15698	16783	30703	14640	26191	32830	22572	30855	25014	17095	38840	28569	24741	19355	36461	17211	23681	14816	0	625	1174	16382	28115	0	25961	32329	25955	26266	10285	465	14223	9447	9478	24843	20051	18680	21557	10859	10455	9787	8094	10361	10444	46435	0	15713	25966	18418	20908	38611	29843	26741	0	19924	24760	0	22799	17334	22092	14995	9944	7743	25415	8479	12185	44615	16346	16494	36763	12384	16753	544	25263	20786	10247	15669	13020	33859	15419	30507	0	21996	12601	744	27273	11726	Lipid	0.4	1.36	0.0
18	C24 H34 O9 N2	495.2337	495.23444	0.06347501	495.23373	14113	14883	13763	13830	4723	8062	17106	24520	8532	15130	6653	10918	7131	4880	17208	22938	9603	9787	13656	20674	11223	17330	15621	31247	19531	1536	9433	6740	29141	21988	21826	21261	28548	18471	18020	28591	29702	15108	16279	15242	6909	10968	458	0	0	13944	5659	0	28147	15300	21038	16610	12969	0	8207	4289	6934	23063	24918	9828	20986	10171	5164	9084	6918	8751	13048	11674	3053	5620	3820	19601	19119	21122	10819	20378	0	17418	13104	7990	12192	8580	20105	6469	3472	9868	12666	7969	6990	17169	40401	39504	41318	7451	15090	0	16663	14943	5055	6591	4990	32458	13409	25302	6934	17791	6362	0	16267	8280	Lipid	0.375	1.4166666	0.083333336
8	C24 H34 O9 N2	495.2337	495.23456	0.11511948	495.23376	10998	11081	11796	14219	4755	4564	5659	14325	5138	12853	4044	5188	5638	1772	12678	11003	6723	6138	9427	16727	13274	21918	8135	17726	12296	2587	5606	3719	14262	10787	8272	14329	14950	13207	18280	10977	15025	8799	7863	16257	8199	6659	0	0	0	9902	5003	0	15194	10827	9477	11006	5077	0	7248	3014	3544	16802	4930	4227	13812	6682	3888	7772	2561	6250	7541	9496	0	6745	3519	10547	9856	10570	7068	8880	0	7702	7724	5931	5700	4072	4896	7345	2485	0	9955	3861	5085	11695	22008	19316	26050	7748	14817	0	9928	14227	3371	2506	3103	14447	7879	17578	0	14096	3538	0	7890	5197	Lipid	0.375	1.4166666	0.083333336
12	C24 H34 O9 N2	495.2337	495.2344	0.084386624	495.23373	11102	12480	10311	9100	4773	5037	7637	22984	4327	17674	4809	6770	6475	2708	12457	17518	10240	3467	11288	23035	12281	19869	10129	15184	14875	2329	6871	12391	15729	11528	16678	17551	20676	15397	23527	15128	16995	12642	11976	16733	8858	6905	0	0	0	13906	4809	0	11174	10074	10561	8815	5301	0	8275	2625	3344	17401	10002	8778	0	11798	3827	7228	2521	7865	5656	11011	0	7709	3947	14585	13406	13631	7549	11787	0	12503	9870	0	10357	6843	11849	5225	3000	5403	12748	6831	8419	23010	24200	28900	32119	8213	9298	0	7969	16600	3155	2657	2577	11673	10516	13704	0	16104	3139	0	9549	7444	Lipid	0.375	1.4166666	0.083333336
26	C29 H34 O7	495.23773	495.2384	0.03532825	495.23776	66003	65154	66552	60027	76083	37500	26201	54192	69852	85553	109606	29641	94026	56761	44041	66981	46638	68350	91796	127472	122930	58957	54980	72117	52465	262375	25759	106785	55139	51393	47244	49139	58783	45357	108985	55373	62806	41075	40568	95669	103093	38961	0	0	0	56323	64487	0	54955	48211	77790	68756	59096	0	69019	83476	44886	54327	45395	32353	60348	62962	76259	57801	25992	66658	64173	55710	287092	207014	268039	43142	41073	42292	43048	41396	0	40511	75216	54961	57937	44009	41383	86434	98352	58746	77383	50473	43769	55189	51753	48717	82968	61240	50457	0	63433	76579	55906	117083	103429	69706	34620	68956	37191	44227	71820	0	48667	66432	Phytochemical	0.2413793	1.1724138	0.0
28	C29 H34 O7	495.23773	495.23837	0.047401864	495.23776	14131	15219	14098	12922	16525	6414	8374	11696	15092	13073	21158	5521	24145	10570	8232	13026	10507	10637	22056	20819	20829	10466	7501	13704	10318	59278	5892	20762	11083	9876	10791	9878	13212	7963	21030	10153	13241	6641	9368	15600	24401	8371	0	0	0	12201	9849	1194	8608	12403	14705	13400	11494	0	15661	19215	7241	12378	7278	7209	14566	8070	17948	10865	6813	20374	11935	11759	52665	41138	65865	10681	7153	7583	5797	10468	0	7292	18115	13273	10596	8251	9319	16948	26210	10054	19776	8723	7228	12325	8016	11614	10673	10293	8364	0	13626	10671	13624	33742	34237	14566	5181	14168	7294	10229	14527	0	8852	14930	Phytochemical	0.2413793	1.1724138	0.0
24	C29 H34 O7	495.23773	495.23834	0.031152705	495.23773	141741	125318	129519	133577	137158	88229	60655	101883	132322	168339	221451	69885	152226	86371	96733	124118	95413	118182	170316	243791	226934	122543	99831	137862	96669	527522	64162	202929	99614	97612	96107	96770	118459	86275	223072	103699	126955	83811	101880	194256	201192	76014	3936	0	0	118988	113911	0	105230	95261	135736	138068	112409	0	140865	123519	76245	127557	84581	68405	123935	128132	145136	112020	62111	132732	105047	110373	447503	448675	566301	80783	86199	87588	66807	93325	0	78859	156411	98997	123085	74945	84707	154812	179402	91146	159422	82789	88955	117672	117004	115827	158064	96572	115423	0	131083	132724	104101	165272	163353	135109	69299	120424	69639	112767	128798	0	97080	126831	Phytochemical	0.2413793	1.1724138	0.0
18	C29 H34 O7	495.23773	495.2384	-0.008903469	495.23773	31065	26480	28393	32545	24124	14389	25202	34534	26428	15477	23937	21159	13586	11802	27275	34019	42789	9713	29806	23611	31386	26048	26887	33843	22230	52325	30884	19081	20020	25781	26114	32897	27515	18635	34697	25504	26077	25702	48340	22016	32783	15502	0	2144	2219	15068	20831	4600	29941	27635	29483	27218	17979	242	23367	24003	19812	29480	21407	32722	35989	17634	26401	22873	14121	18125	22759	53434	35392	47477	66349	16861	21112	25573	37184	32593	0	20688	43148	16972	42598	18567	26210	19488	33038	19066	42029	13407	21837	61085	31201	26050	37044	15485	18590	0	30538	22029	18727	30742	34233	34128	25778	30872	15151	23508	22763	2906	40260	13749	Phytochemical	0.2413793	1.1724138	0.0
6	C23 H34 O8 N4	495.24493	495.24588	0.25203034	495.24506	6032	9604	7153	8887	865	10722	1653	3187	876	0	4261	1047	0	413	2061	3491	1625	1055	1136	1872	943	2762	1267	3342	2685	0	1403	44606	3763	1488	2416	3696	5650	2041	1823	3205	3936	1958	914	0	773	1686	0	1101	1518	1592	0	5688	4166	1450	7721	6675	962	0	719	0	0	2429	0	0	2683	0	759	0	0	0	1201	1481	0	0	0	2505	1871	1787	1142	1201	0	1598	790	198058	0	482	748	0	700	0	1954	1405	1842	3244	509029	186210	4494	25636	7618	0	8308	6937	0	0	695	1873	2013	0	0	2175	569	4446	2446	782	Peptide	0.3478261	1.4782609	0.17391305
12	C23 H34 O8 N4	495.24493	495.24567	0.40800047	495.24515	3255	6098	4423	3643	1702	2731	0	0	0	0	0	0	0	1742	0	0	0	0	0	0	0	0	0	0	1930	0	0	26206	1635	0	2508	1536	0	0	0	0	2739	0	0	0	0	0	0	1177	1916	0	0	5514	0	0	3028	2951	0	0	0	0	0	0	0	0	0	0	0	0	0	0	930	0	0	0	0	1717	1310	0	0	0	0	0	0	262536	0	0	0	0	0	0	1475	0	1330	0	435561	137765	3209	28504	4319	0	5262	3881	0	0	0	2066	0	0	0	2187	0	3536	0	0	Peptide	0.3478261	1.4782609	0.17391305
14	C23 H34 O8 N4	495.24493	495.24542	0.27842334	495.2451	0	3119	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2031	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1644	0	0	0	441	501	0	0	2645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2128	0	0	0	0	0	0	0	0	0	1072	1431	79624	0	0	0	0	0	0	1285	0	0	0	178338	35724	0	9501	3231	0	0	0	0	0	0	0	0	0	0	1561	0	1558	1536	0	Peptide	0.3478261	1.4782609	0.17391305
2	C21 H38 O11 N2	495.25482	495.25592	0.28152394	495.25497	5415	5674	3595	4643	498	0	3485	7775	703	339	1736	21251	2348	0	6732	419	12190	2180	1037	0	621	712	2052	3240	583	0	1833	1134	9094	11339	15195	10237	29846	4882	839	12446	23951	6505	16189	0	0	0	0	0	0	0	0	0	10896	10119	5160	6337	627	0	601	0	452	4203	0	0	2955	0	497	1780	0	2492	1800	11755	0	0	0	5882	12632	15821	1986	10112	0	14005	856	12136	1483	0	0	0	0	936	1290	1491	2025	2006	9932	3155	2122	384	0	0	4953	4795	0	1548	2564	23201	19933	0	0	10400	242	0	829	1491	Lipid	0.52380955	1.8095238	0.0952381
26	C26 H38 O9	495.25885	495.25952	0.004435601	495.25885	38809	30917	36941	31605	36446	24247	24088	45093	35122	53889	20115	14745	52903	19748	30428	23918	10335	54715	62433	59105	57974	36954	24622	31772	46869	23742	20527	28429	55775	44552	37683	42475	55072	30635	82838	38213	69848	29702	15965	37835	10891	15697	0	0	0	32115	8503	0	41010	31065	35410	37174	31461	0	58172	27569	20066	45939	44668	9147	33474	20371	45356	38646	17981	41835	33751	15346	20475	66157	31164	34967	40125	37300	15524	34494	0	30332	28130	11478	19937	16619	32090	20379	25181	20226	24152	14668	26848	16363	53965	60881	57890	15843	26429	0	34686	46435	18590	27051	24214	45525	17606	49604	17363	25960	18533	0	19007	48608	Lipid	0.34615386	1.4615384	0.0
28	C30 H38 O6	495.2741	495.27475	0.028800245	495.27414	26013	23203	24544	22271	34992	13947	18762	23982	25352	16484	29011	10682	34692	19532	16511	23241	19010	19933	34437	27438	24574	21012	21393	25464	23462	67500	15486	29394	23339	26536	18854	22784	29996	19619	25296	27405	28829	17164	19528	18344	24442	14763	0	1154	0	18515	15040	0	19777	22886	23842	22955	25167	0	29415	41004	13485	22436	19766	10906	23987	15828	21736	21997	11455	30667	21697	21434	54831	37641	51523	13681	14664	22593	13237	20143	0	16932	33159	35324	19281	16481	21344	25843	41862	18867	43364	16368	13809	27108	18014	22136	29729	44206	11765	0	21872	20333	19927	63807	68873	35965	13217	27632	13280	22553	33374	0	21843	18761	Phytochemical	0.2	1.2666667	0.0
18	C30 H38 O6	495.2741	495.27478	-0.025642343	495.2741	6004	9590	7668	3126	4968	2165	7620	6957	4722	0	3497	4771	3100	3125	8102	7902	13728	0	4965	2247	2347	0	5262	6040	5766	4585	9238	1966	0	9291	4125	8185	7224	0	0	4531	3539	9238	18828	1851	4331	3247	0	0	0	2508	3913	0	3810	5266	6896	5102	2511	0	4115	7200	5508	3941	2985	7023	3703	0	2464	3530	5242	3993	2750	20956	3697	2080	6400	1406	3437	4135	12609	0	0	2068	14531	3530	12938	2418	4543	1533	7893	7293	17518	1329	2923	24425	5376	3936	3904	1915	1916	0	3803	6307	5588	10160	11603	8026	6395	2461	2530	3571	10921	0	13055	1665	Phytochemical	0.2	1.2666667	0.0
20	C30 H38 O6	495.2741	495.27475	-0.011703062	495.2741	26311	32547	24359	25959	25867	10576	24873	26948	24143	10190	16793	21010	19908	12287	26609	37751	54236	10979	31988	18800	20048	19637	23398	31131	24671	29815	33320	14381	23912	25951	18226	21747	27203	13223	13167	22853	22682	27637	66544	13456	22906	18937	0	0	0	6720	17120	0	23976	19261	26019	26353	24090	0	24208	40611	22631	24938	13702	27344	30212	9898	21473	19655	19850	16227	15075	66382	24336	22056	43666	8802	13142	21935	42731	23162	0	20596	45416	20059	32146	14934	30564	14064	45966	24466	64942	14151	14596	63657	28649	20580	33742	13238	13023	0	27631	18964	25111	55469	58612	24165	20564	22606	15267	24675	34603	0	37371	14602	Phytochemical	0.2	1.2666667	0.0
26	C30 H38 O6	495.2741	495.27478	0.016154326	495.2741	106897	107153	104625	104552	135054	62348	69274	111635	115016	86859	136525	58279	118444	75705	92769	122040	96359	116207	158416	140257	137526	87734	94566	123835	104230	305894	69004	146179	105865	130911	82648	95474	115145	72785	103974	115956	115025	82323	98246	124847	120457	78851	0	0	0	87511	75125	0	93351	105457	119178	97942	108890	0	130471	151317	70655	107140	77158	67063	116414	74341	99980	97860	53542	103306	102439	108958	274150	205613	238729	67098	78051	104717	76619	99646	0	70059	135508	116693	102514	69535	88533	116833	173487	96753	156505	63516	81384	114338	92362	98918	142749	100167	90367	0	102168	106645	88731	197983	207725	152910	63069	140343	66227	94213	144973	0	101307	85853	Phytochemical	0.2	1.2666667	0.0
10	C24 H38 O7 N4	495.2813	495.28177	0.07846658	495.28137	0	0	0	1284	0	2080	0	0	0	0	0	0	0	0	1080	0	0	0	0	0	0	0	0	0	0	0	0	18341	0	0	1954	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1752	1072	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1175	0	92663	0	0	0	0	0	0	0	0	0	0	134501	33819	0	6154	1179	0	0	1314	0	0	0	0	1121	0	0	0	0	0	0	0	Peptide	0.29166666	1.5833334	0.16666667
6	C24 H38 O7 N4	495.2813	495.28174	-0.024636958	495.2813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2891	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1109	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45011	0	0	0	0	0	0	0	0	0	0	24684	5865	0	904	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.5833334	0.16666667
8	C24 H38 O7 N4	495.2813	495.28247	0.27071783	495.28146	925	1278	0	0	0	1309	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28497	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	125536	0	0	0	0	0	0	0	0	0	0	109986	29605	0	5407	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.5833334	0.16666667
22	C27 H42 O8	495.29526	495.29584	-0.04793668	495.29523	30852	39037	34397	30959	31809	17606	69506	31676	27625	16946	20189	18999	26531	20061	28413	36546	43151	30176	45013	17689	20488	18990	19615	30783	29473	16936	60168	13345	40174	36539	31017	47615	51824	33379	12412	46742	41384	26408	53375	14228	11606	21905	0	0	0	14977	11105	0	36923	27892	35805	31082	26986	0	41685	33302	15341	43177	20578	16285	38322	9754	32631	29600	19063	42347	36058	45526	6849	11921	16570	27211	28890	36958	43560	31381	0	22607	31868	14671	22074	11687	67095	42437	43094	29536	42655	16502	26139	36114	34689	39143	29254	10082	15189	0	29397	32794	18569	42296	49111	50037	20581	29731	11202	24533	34681	0	29679	32927	Lipid	0.2962963	1.5555556	0.0
26	C27 H42 O8	495.29526	495.29587	-0.03880524	495.29523	32803	32227	37423	36206	35527	23197	65267	48470	34749	27155	22991	17135	40416	31013	30168	33250	25427	40168	57068	49410	30078	27707	18830	23843	44610	12390	54958	35694	56459	44101	35461	45107	62982	36420	47219	50604	59223	25972	30212	31651	11118	22131	0	0	0	24701	12214	0	44509	21520	31248	34290	28074	0	62660	37207	22558	43672	46090	13622	35101	19066	35200	33633	23615	40496	37332	29671	12055	29514	19150	30847	36068	48111	22403	35673	0	22558	20530	21227	16443	18898	48468	26124	38825	38698	33339	15987	32931	23717	70393	65510	48841	17673	24659	0	29737	37597	17270	34479	37207	62160	18417	57254	38507	28974	26241	0	28134	30819	Lipid	0.2962963	1.5555556	0.0
28	C27 H42 O8	495.29526	495.29587	0.040003832	495.29526	4554	3231	3698	4435	4048	1860	10790	3955	4036	2405	2945	1676	4733	3079	4316	3634	2886	4391	7651	4463	2723	3046	2450	3208	5385	0	8371	4079	7857	4416	4024	4963	6754	4729	6432	4394	5325	3263	4444	2378	0	2336	0	0	0	0	0	0	4980	2411	4128	3454	3162	0	9079	4486	2244	4928	6977	1764	3838	2716	3493	4075	3192	6577	6131	3185	0	2770	2137	2078	3353	4755	0	3312	0	2821	3767	2845	0	2788	7051	3241	4012	3932	6628	2855	2743	71658	8164	9384	5722	1242	2859	0	3751	4540	2098	5257	5380	5213	1333	4114	6293	4461	2586	0	4145	2682	Lipid	0.2962963	1.5555556	0.0
20	C27 H42 O8	495.29526	495.2959	0.026908599	495.29526	10039	8000	12941	12947	8978	3165	23897	13255	8231	5264	2507	9309	7012	7854	7257	16126	25890	6131	8667	6354	3863	3521	7216	10857	8165	2606	22668	4013	13303	16657	8884	14970	15986	9569	1657	19883	17050	12200	24901	2078	3219	5599	1151	0	0	3033	3151	0	18262	9308	12410	13836	8602	0	14566	12015	8272	13759	7517	4467	13149	1151	8041	11435	9009	7328	8321	25315	2852	0	1658	7857	12870	20675	24119	13721	0	9333	15798	3336	7141	3435	22234	17766	20145	9047	14523	7449	5191	19300	10172	8800	14567	2586	3701	0	11168	10340	6342	23365	20193	23341	7385	13052	8349	10598	11618	0	11299	5984	Lipid	0.2962963	1.5555556	0.0
28	C31 H42 O5	495.3105	495.31113	-0.006990703	495.3105	16799	15098	18606	12503	25625	7702	24172	13986	21041	4009	16104	9170	12888	8991	13819	13073	20133	8835	24354	11199	6772	9440	11021	13574	28183	24440	18825	18021	21391	22211	16396	18068	26346	11011	7898	27639	19551	18623	17306	9856	7297	8991	0	0	0	7687	3499	0	14395	19520	16779	16815	17143	0	24324	25718	11884	18411	18253	6452	18204	7403	12410	14583	10414	13941	14119	22484	16729	9922	11961	6865	11963	22792	7327	19227	0	12440	26251	16142	13088	8987	20337	14698	41963	17343	37875	7919	9703	16718	14450	14051	19044	14181	5994	0	13427	18604	15365	46653	47669	33499	10156	25513	9196	16790	30581	0	19262	9698	Lipid	0.16129032	1.3548387	0.0
22	C31 H42 O5	495.3105	495.3111	-0.028511846	495.3105	6920	6622	5415	6007	4869	0	12191	6135	6225	0	1504	6217	1855	0	4692	7909	27577	0	6959	0	0	0	3924	3180	5884	2024	14370	3084	3128	7206	2845	5189	5093	0	0	6125	4306	7692	30201	1423	3809	3473	0	0	0	0	1663	0	4451	8991	6116	2831	4676	0	6804	10612	8144	5751	3288	6386	6335	1192	4125	4819	4000	2704	3785	29606	1418	0	5022	1462	2071	5821	12450	2832	0	3311	13794	5606	7234	1856	5959	1843	12679	9420	16522	4681	1771	20740	3645	7085	6849	2917	1762	0	4282	3831	6469	14894	18415	9594	3840	5806	2343	7204	10639	0	14784	1518	Lipid	0.16129032	1.3548387	0.0
22	C28 H46 O7	495.33163	495.3324	0.21295953	495.33173	0	0	0	0	0	0	5838	2331	0	0	0	0	0	0	0	0	6242	0	0	0	0	0	0	0	1393	0	5209	1264	1855	1625	1370	0	2163	0	0	1171	2890	0	10622	0	0	0	2806	0	0	1878	1146	0	0	1456	0	0	0	1491	0	0	1113	2446	20235	7584	0	1031	1546	0	2656	0	2119	9576	0	0	0	0	3028	3728	2889	1844	0	0	2257	0	0	0	6566	3633	0	2015	0	0	0	4485	0	0	0	0	0	0	2435	0	0	0	0	2799	0	27398	10178	0	1496	0	0	0	Lipid	0.25	1.6428572	0.0
26	C28 H46 O7	495.33163	495.3321	-0.073464006	495.3316	8614	7314	11542	6262	4891	0	107263	0	4212	1569	4839	3176	0	17114	7215	0	18537	0	7037	0	0	2745	0	0	8195	4752	87422	13123	10189	10258	6608	11241	16856	5085	2052	8990	13530	6907	22174	2243	3879	0	0	0	0	0	0	0	6677	0	8083	7569	4198	0	6011	5726	6304	10586	11414	6382	12266	6271	7513	3219	11260	7350	14800	20203	0	0	3400	4803	7742	12936	0	8049	0	3871	4870	7343	0	4610	20683	19409	4907	0	9998	4395	4984	4985	25918	14856	6143	0	0	0	7996	7551	4226	7041	10934	22373	3422	8786	18862	6392	7340	0	6620	3193	Lipid	0.25	1.6428572	0.0
24	C28 H46 O7	495.33163	495.3321	-0.110524826	495.33157	3623	3439	4015	4566	2922	1189	54097	3338	2665	0	2112	0	0	10469	4130	8301	16613	2009	2982	0	0	0	1862	971	1940	2456	45143	5712	4894	6811	5035	8870	8417	4066	0	7888	6459	1705	19969	1124	2043	0	0	0	0	0	0	0	5736	4313	4494	5848	2277	0	0	2670	3726	7715	1420	2545	7096	0	4047	0	6204	5694	5748	15600	0	0	2218	2747	4463	10118	7318	9877	0	1971	3599	3384	1074	2394	21083	17431	2737	3281	5797	2547	2386	8055	7845	3973	3877	0	0	0	5991	2536	0	3393	7798	11943	3380	3051	1607	3558	3057	0	3564	0	Lipid	0.25	1.6428572	0.0
28	C29 H50 O6	495.368	495.3682	-0.016585382	495.368	0	0	0	0	0	0	29546	0	0	0	1430	0	0	1706	0	0	0	0	0	0	0	0	0	0	0	0	19556	1821	0	0	0	0	1048	0	0	0	0	895	2311	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1065	0	3442	0	0	817	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1109	0	0	918	0	0	0	0	0	0	818	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.20689656	1.7241379	0.0
26	C29 H50 O6	495.368	495.36774	-0.03464702	495.368	0	0	0	0	0	0	42163	0	0	0	0	0	0	5562	0	0	0	0	0	0	0	0	0	0	0	0	37358	2335	0	0	0	0	0	0	0	0	0	0	3592	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3935	0	0	2120	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3427	0	0	1649	0	0	2314	2482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.20689656	1.7241379	0.0
28	C26 H54 O8	495.38916	495.38943	-0.017052338	495.38913	2628	0	914	1592	0	2695	1247	4704	857	1245	2133	1535	0	1834	0	3760	0	0	0	2563	0	1190	0	0	0	0	1573	1416	0	0	1679	6354	1048	1699	0	2164	1236	1040	0	1990	1325	0	0	1397	0	0	0	1448	3982	0	1670	1726	1365	0	0	0	1732	5997	4800	1230	3264	1581	0	0	1642	1116	1429	2505	0	1766	0	3096	1306	2285	0	1296	0	0	829	0	0	1392	1106	1286	0	0	929	1087	1218	1180	25246	5040	0	764	0	1248	1761	0	1350	1101	0	0	1501	2073	0	0	1539	0	2291	1132	Lipid	0.30769232	2.0769231	0.0
26	C20 H17 O14 N1	496.07217	496.0731	0.15269494	496.07227	3976	2308	2631	0	7079	4502	0	0	9304	1693	0	0	15737	0	0	0	0	11132	5438	0	0	6008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2853	0	0	0	0	0	14905	0	0	0	3376	0	0	0	10121	6097	3199	0	0	0	0	0	19971	11043	0	5922	0	0	0	0	0	0	0	0	0	0	0	0	2399	0	2791	3750	0	0	14411	0	0	0	0	0	0	0	0	5495	0	0	3383	0	3573	8615	7378	0	0	0	6852	0	0	0	0	20197	Phytochemical	0.7	0.85	0.05
28	C20 H17 O14 N1	496.07217	496.07297	0.08588106	496.07224	4257	2363	3278	4664	8515	5045	0	0	10345	2344	1491	938	21533	2228	0	0	0	12028	6293	0	5461	7371	0	0	0	0	0	0	0	0	0	0	823	0	0	0	0	0	0	1215	4171	0	0	0	0	5115	17877	0	0	0	3856	2823	5346	0	11583	9880	0	0	0	0	0	2528	17627	10518	2174	9323	2131	0	0	0	0	0	0	0	0	0	0	0	2525	6168	0	6547	0	0	13609	2571	0	0	2118	0	0	1152	0	6664	5292	0	4987	3635	6989	7623	7724	0	0	0	12681	0	6567	0	0	20066	Phytochemical	0.7	0.85	0.05
18	C20 H17 O14 N1	496.07217	496.07318	0.38985813	496.0724	0	1839	3926	1559	7475	1796	0	0	10959	0	1877	1288	23389	0	2514	0	0	5606	6107	0	2852	5578	1164	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1159	0	1557	3411	2499	0	0	0	3701	15706	421	0	0	3128	1602	6321	0	9038	13163	3330	0	1213	0	0	1283	26326	10241	3414	6849	2043	0	0	0	0	0	0	0	0	0	0	0	0	5849	0	5113	0	0	13577	1973	0	2466	1502	0	0	0	0	17104	5225	0	2504	2570	5284	10171	16693	0	0	0	4574	0	8549	0	0	15947	Phytochemical	0.7	0.85	0.05
6	C23 H22 O8 N1 S1 Na1	496.10367	496.10474	0.54786086	496.10394	3024	2143	2760	2317	0	0	15464	0	0	0	1116	0	0	0	0	0	101446	0	0	0	0	0	0	0	0	0	9293	0	0	0	0	0	0	0	0	0	0	2373	126888	0	0	0	0	0	0	0	0	0	0	0	2006	1155	0	0	0	0	0	0	0	0	0	0	664	0	0	0	0	74530	0	0	4132	0	0	0	1217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2329	2302	0	0	0	0	0	0	0	0	0	0	981	0	Organosulfur	0.3478261	0.95652175	0.04347826
14	C21 H21 O13 N1	496.10855	496.10938	0.14517166	496.10864	35801	38281	35458	33991	50772	27671	9486	9885	62981	45146	41852	12763	98348	16883	14062	11722	12431	62444	61699	51290	92368	108570	29523	15412	5392	2923	6601	11005	9573	8515	6921	9799	16825	7234	64081	7762	14449	12812	11423	32012	62418	26617	0	0	0	77297	215947	0	7240	6827	32383	33662	34825	0	85393	63517	24729	9748	16678	16768	0	51478	98388	72064	26326	54428	23743	13674	18266	3658	24328	10277	6562	6161	9935	7943	227	10926	22888	79840	17423	83173	6361	9299	67598	32516	20157	25636	24462	21190	6798	12721	25010	120372	77060	0	35050	39110	51042	59244	65367	17382	12033	23827	159563	15571	46369	0	5825	90134	Phytochemical	0.61904764	1.0	0.04761905
18	C21 H21 O13 N1	496.10855	496.1093	0.16208476	496.10864	32306	34183	28252	21263	46527	29178	6762	5574	53896	32831	24593	10450	113905	20525	15902	8085	9969	69186	60428	47300	58632	77662	25258	9218	4679	0	3920	7324	7212	4224	3821	0	16437	4751	41775	4113	15253	9954	5864	34067	38883	17130	1516	0	0	91082	162655	520	5691	5813	20991	28954	28923	0	83516	54909	22690	8838	10664	8592	10277	45241	91481	55509	24290	51869	18730	6972	23319	9640	13706	8596	3953	3197	7199	5433	439	10775	20604	72227	19183	87417	5401	8648	67853	32550	9903	15697	19758	10797	5724	17410	11347	73337	62160	0	37501	37872	42794	45586	51634	16619	7424	9940	116015	11115	38831	0	8189	83539	Phytochemical	0.61904764	1.0	0.04761905
22	C21 H21 O13 N1	496.10855	496.1093	0.18448995	496.10864	8866	5220	9993	13395	18669	11218	1842	2443	20568	9997	5364	4469	34294	5769	3127	3351	0	29274	16196	13222	19090	18152	7287	5170	1587	0	1378	2205	0	1651	1379	0	3555	0	13478	0	1711	3597	1392	8140	14483	4254	0	0	0	37824	87693	0	1843	2535	10787	6041	11365	0	27347	21000	2863	0	0	2171	1398	13692	36722	21759	9042	8265	3600	2765	7621	4528	6367	1880	0	0	3074	0	439	2058	4490	18356	4940	43025	0	4899	25084	12010	5977	5721	4198	1449	0	0	3693	25043	26000	0	9264	10597	13485	15588	18330	3620	2089	3218	55333	2688	15755	0	0	29692	Phytochemical	0.61904764	1.0	0.04761905
26	C21 H21 O13 N1	496.10855	496.10934	0.14207204	496.10864	5700	4371	3372	7271	7956	6255	0	0	9992	9900	2381	0	22458	1908	0	0	0	19459	11798	6114	16303	11720	0	0	0	0	0	0	0	0	0	0	0	0	11859	0	1974	0	0	6611	7117	0	0	0	0	24495	51827	0	0	0	4918	4871	5160	0	13401	7934	3784	0	0	0	0	6574	15949	9357	0	8794	2403	0	0	3564	6681	0	0	0	0	0	0	0	3302	0	3071	22458	0	0	12445	0	0	0	0	0	1363	1996	0	10925	20759	0	4093	0	6206	5926	5712	0	0	0	32342	0	6285	0	0	18608	Phytochemical	0.61904764	1.0	0.04761905
24	C21 H21 O13 N1	496.10855	496.10925	0.116139635	496.1086	7561	5146	6967	6027	9886	6802	1771	0	9672	8028	2530	1877	30315	1992	4406	0	0	15026	15288	6722	13753	11557	3019	0	1289	0	0	1660	0	0	0	0	0	0	5431	0	1379	1462	1591	3936	8345	2267	0	0	0	30555	54775	0	0	0	6948	6690	7342	0	17358	7568	2058	0	0	1006	2028	8439	17570	9630	3464	7271	2948	0	3547	3234	5669	1208	0	0	0	0	0	0	4089	9824	4189	26744	0	2172	13746	5715	1257	1896	1123	0	0	1680	1855	13555	10355	0	3665	7317	9096	8963	5151	0	1660	1613	39744	2112	9261	0	0	19003	Phytochemical	0.61904764	1.0	0.04761905
16	C21 H21 O13 N1	496.10855	496.10934	0.17022833	496.10864	31630	66453	56404	47443	89358	70581	15312	18506	135864	91286	66826	25800	196107	32933	40181	11521	18196	163748	142912	86218	99620	180954	56092	25144	4417	4046	14926	17802	15991	18609	18000	12290	21184	12008	132376	13454	35612	37903	13048	75249	79399	42601	1500	0	0	175531	287292	540	19908	17873	65616	68155	72224	255	133443	103202	49140	21678	29339	15367	17924	84843	205249	95691	32895	112755	43704	11681	35086	20540	35449	20524	14483	11355	10102	15940	317	24118	39402	148261	39453	165597	12502	19823	101623	56641	35671	37740	39556	0	5845	31964	0	185653	134232	540	65994	70137	91581	94877	105863	20923	22636	25102	223263	14600	97080	0	14506	187002	Phytochemical	0.61904764	1.0	0.04761905
10	C21 H21 O13 N1	496.10855	496.10944	0.19942981	496.10867	15943	12430	8443	10298	16824	7729	1147	3993	22547	18470	22236	6678	36713	3633	6815	4901	7585	19868	22966	19077	35250	35697	10624	6638	0	0	3391	0	1687	1781	2179	2533	7954	4436	27625	1627	7305	4308	5996	12455	32824	7775	514	0	0	23746	59266	0	3110	3202	10456	12354	10262	0	24266	21070	7601	5461	3010	7504	0	15877	42453	26776	10803	21721	10073	9225	8257	3690	5783	3178	3408	2683	3515	2069	0	3848	9685	20209	7095	16431	1619	2302	30337	10913	5115	8604	8061	6293	0	5043	6740	40256	30972	0	13181	14327	23636	22762	24285	7700	5839	4535	37167	7019	21169	0	3022	31738	Phytochemical	0.61904764	1.0	0.04761905
28	C21 H21 O13 N1	496.10855	496.1092	0.14307246	496.10864	5288	6247	6344	4429	9134	7479	0	0	7796	12665	4290	1880	16394	1231	0	0	0	15464	9565	11394	17404	10468	1901	2738	0	0	0	0	0	0	1180	0	1374	0	15261	0	950	1011	0	6399	9619	0	0	0	0	21937	47119	0	1465	0	7023	5318	4853	0	10264	5731	2248	1233	2336	1141	0	10620	13944	8306	2332	7756	3980	0	3632	5320	7144	0	0	0	0	0	0	1624	2999	7908	1407	20433	0	3006	8888	5964	2573	1875	2240	923	1241	1908	2014	11498	14682	0	4892	4453	6250	4478	6690	0	1058	0	32809	936	6067	0	0	14626	Phytochemical	0.61904764	1.0	0.04761905
12	C21 H21 O13 N1	496.10855	496.1094	0.20791093	496.10867	20609	23442	25099	23455	32326	15398	5930	10665	43161	26866	35834	12171	63037	7200	9072	11758	14581	41871	52538	37294	67763	79399	21569	10857	1351	2411	5093	0	4794	5738	4887	5682	12918	6330	53014	6087	10781	9437	11759	28152	66606	20462	900	0	0	45915	139493	0	5172	8707	20427	23643	23726	0	61089	40178	17073	6483	11054	14437	0	25844	78859	46916	14264	41566	18423	11999	0	4667	16020	8425	6222	5478	8534	7364	0	11840	17205	49673	14422	48284	2583	7276	46800	19019	14153	15096	18149	21723	4133	9402	13734	85657	42960	0	28792	30653	50397	40624	41203	9852	10991	10780	86594	12480	39624	0	3918	67304	Phytochemical	0.61904764	1.0	0.04761905
20	C21 H21 O13 N1	496.10855	496.10934	0.23688686	496.10867	15181	17168	17502	11338	25420	23966	2781	3657	31726	12718	15350	4506	69914	12254	10258	7375	3713	54139	38098	23117	41004	40765	15680	7144	4780	2360	2118	5178	4384	2711	2174	2801	2335	3244	18860	3391	4222	4397	3463	12397	21903	9752	1219	0	311	64668	117797	723	1730	3110	18440	16712	19724	274	39302	30437	12334	4396	7051	3724	2954	24609	60664	37267	17034	30144	11555	4819	8635	3693	8224	3861	2282	1977	2795	0	392	7328	10774	45573	10125	55842	3314	0	39169	21067	9945	10492	11233	4164	3441	7860	7849	40541	53214	0	16641	19522	26494	22925	37779	6228	4403	5785	94507	5551	32546	0	2864	58628	Phytochemical	0.61904764	1.0	0.04761905
14	C25 H21 O10 N1	496.1238	496.12463	0.048780482	496.12384	0	3821	2867	4611	3624	0	0	0	4305	26616	12077	0	4539	0	0	0	0	3742	3846	10117	14234	9293	1340	0	0	16553	0	0	0	0	1262	0	0	0	36949	0	0	1071	0	5840	9947	1518	0	0	0	6788	11104	0	0	0	2965	0	2585	0	6270	1686	1263	0	0	0	0	6171	6722	2126	1144	3771	0	0	28889	18573	26784	0	0	0	0	0	0	0	1630	0	2351	3684	0	3002	1720	0	2073	0	0	0	4364	0	0	9303	18511	0	2907	5612	4310	3494	3891	0	0	0	0	0	2548	0	0	3998	Phytochemical	0.4	0.84	0.04
20	C25 H21 O10 N1	496.1238	496.1245	0.10629048	496.12387	8882	6930	6884	12375	8068	3940	0	0	12002	55873	30799	0	8735	2663	0	0	1411	8017	16691	23067	38405	32481	2437	2017	3449	29697	4235	21169	0	1522	1248	0	1432	0	65398	0	2141	1591	0	26817	23703	3398	482	0	0	24623	25141	0	0	0	14093	9500	7667	0	8697	9346	4281	2609	3416	3089	0	19566	22230	8411	3869	6675	6504	5059	28521	30988	46110	1975	0	0	0	0	0	0	8833	23920	3095	14203	3089	21331	11396	4484	4678	3711	4247	5302	9697	9128	3590	45418	40154	0	10569	7016	9112	6963	10100	4146	0	1981	18675	0	8285	0	5230	14209	Phytochemical	0.4	0.84	0.04
12	C25 H21 O10 N1	496.1238	496.12473	0.12237892	496.12387	0	0	0	0	2476	1043	0	0	2603	8258	0	0	2151	0	0	0	0	0	2051	4304	7001	5646	0	0	0	8480	0	0	0	0	0	0	1754	0	21576	0	0	0	0	4423	0	0	0	0	0	0	8309	0	0	0	2728	0	1503	0	2590	1338	0	0	0	0	0	0	3694	2980	0	1540	0	0	0	10239	17590	0	0	0	0	0	0	0	0	0	966	2583	0	1698	2189	1020	0	0	0	0	0	0	0	7823	5335	0	0	0	3729	2394	2236	0	0	0	0	1381	1122	0	0	0	Phytochemical	0.4	0.84	0.04
22	C25 H21 O10 N1	496.1238	496.12454	0.048488785	496.12384	7426	7351	8565	5157	8089	4010	0	0	12485	34472	20821	0	9475	0	1233	0	0	7459	7026	14162	21064	28048	3438	4286	0	15856	1125	16321	2184	2000	0	0	0	0	37665	0	1576	2413	2294	21660	17005	2542	0	0	0	18690	29913	0	0	0	4912	6172	6132	0	6220	7405	3070	0	1791	1916	1320	11221	11698	9929	2099	6485	2510	1777	23980	20567	28138	0	0	0	1682	0	0	0	6077	19490	2697	19507	1629	14691	6871	4313	4278	3869	3945	3832	4300	5675	2849	30549	33319	0	11849	7060	7395	4938	5583	2283	0	1597	14778	2072	7622	0	2148	7998	Phytochemical	0.4	0.84	0.04
18	C25 H21 O10 N1	496.1238	496.12457	0.17652854	496.1239	8692	7533	9078	11195	8498	3559	0	0	12366	56797	35997	0	8486	4716	1506	1978	1359	11509	9163	26733	37541	26726	4666	1842	1953	33251	0	21809	0	0	1555	0	2170	0	67621	0	2176	1124	1909	30029	25875	2681	0	0	0	15956	19917	0	2892	1329	15346	8323	7356	0	6511	6783	6229	1976	3253	1535	3142	20086	16944	11745	1871	8842	3595	0	30895	35495	39273	0	0	0	0	0	0	1583	7341	25498	4401	16273	1633	18076	11455	2726	6515	6110	4947	5067	4316	5592	5306	41117	46687	0	7998	9778	5603	8251	7828	2584	0	3132	13461	2100	5851	0	2106	10846	Phytochemical	0.4	0.84	0.04
24	C25 H21 O10 N1	496.1238	496.1245	0.07599515	496.12387	4688	5432	6623	2395	4357	2042	0	1447	4371	24489	8955	1084	7349	0	2095	0	0	3594	4669	6802	13673	16698	1967	1807	0	9164	0	4427	0	0	0	0	0	0	23820	0	0	1087	0	9103	10949	0	0	0	0	9518	16338	0	0	0	3383	3266	2064	0	6969	2559	1418	1589	1336	1306	1637	8672	4750	3848	2496	2745	4826	0	8534	6356	18522	0	0	0	0	0	0	0	4625	9013	2616	10098	1180	7810	3898	0	2551	0	1533	2911	2255	3739	1681	22788	22371	0	3133	2530	3036	3899	4741	2279	0	1758	6154	2553	0	0	1984	5848	Phytochemical	0.4	0.84	0.04
28	C22 H25 O12 N1	496.14496	496.1456	0.105933815	496.14502	6710	4183	7683	6617	5499	6858	0	4257	6228	20895	5099	1649	12206	1666	4659	0	0	12812	8337	20604	22612	5925	2159	2467	2887	7244	1113	3416	2155	0	1754	1350	3712	3086	19005	2447	3127	1635	1819	13264	11603	0	0	0	0	28352	38707	0	3830	2952	6439	5476	4258	0	7628	6210	2406	1492	2602	1382	0	10147	8742	4905	3123	5792	4513	1012	12207	16491	18118	4039	2134	0	2893	1624	0	2255	3587	4064	2399	16043	2021	6584	5972	2602	1747	3190	2210	804	2388	2540	3169	7338	12570	0	7185	5545	4161	2512	3779	0	2201	4713	20323	1649	4609	0	993	11057	Phytochemical	0.54545456	1.1363636	0.045454547
8	C22 H25 O12 N1	496.14496	496.14587	0.1524657	496.14502	22043	21474	16331	19942	13870	7909	8756	16301	23062	43318	29889	16075	30515	5765	12327	16303	15724	19847	24480	34334	46828	39450	13983	13655	3323	7647	7956	9815	11727	15539	9881	13583	15906	10057	51373	14963	15569	10052	16998	30809	43552	12473	0	0	0	36697	58148	0	13595	18120	20752	17649	15797	0	24845	18709	8538	14679	9894	21111	21675	22978	34898	21144	9035	22217	10572	21620	16981	11261	17490	13930	11015	10716	11320	11446	0	10914	15096	13630	12919	17573	8179	11731	20268	9936	11952	11765	11238	22140	0	13191	19262	34139	34211	0	24868	26648	15905	19895	22345	17995	12285	19730	29417	15642	18917	0	7984	32945	Phytochemical	0.54545456	1.1363636	0.045454547
22	C22 H25 O12 N1	496.14496	496.14563	0.0951177	496.145	20598	23240	22511	21746	31131	21701	6918	13874	31688	54853	14021	8901	50633	11192	15525	7640	8331	51437	29012	56947	57378	42702	20434	20677	11712	19607	4265	10398	12105	11619	9665	8463	11815	9957	48798	11399	10946	9716	5791	40585	28903	10985	2342	0	428	103575	117723	0	9596	11320	18775	21114	20160	240	44365	35176	10699	8804	15780	6954	13283	35525	49728	27396	9534	26108	14642	4635	28224	31861	27517	12100	8797	11317	6980	8759	443	13222	12352	24047	15600	79748	7679	22099	38435	17365	12712	7668	10840	3806	8627	15098	18161	33504	48754	0	20717	26301	27531	18196	23051	11605	8097	9200	87346	11752	29631	0	7387	51265	Phytochemical	0.54545456	1.1363636	0.045454547
18	C22 H25 O12 N1	496.14496	496.14566	0.08849953	496.145	107190	107629	96700	102973	110102	81722	41589	73009	100364	190192	96230	44047	207242	48245	72508	63063	38516	178234	149214	223785	226255	181359	78395	81033	51488	76430	35679	62376	63882	51038	62420	59243	66389	56872	210717	61005	72991	49454	32539	161954	105529	55862	3760	486	477	327011	312619	415	63464	62191	99175	91707	81156	587	169808	96002	47822	56645	67534	39011	74777	138977	169226	111388	49881	118581	67095	31464	89951	103800	101732	68372	50065	62619	45582	52955	449	53303	64203	105218	53067	223488	48847	82975	117790	79367	53282	51570	60728	41777	48695	91401	102023	137559	201850	819	102081	105270	99749	72934	80503	80975	42930	70424	243765	56628	98430	425	38343	140937	Phytochemical	0.54545456	1.1363636	0.045454547
12	C22 H25 O12 N1	496.14496	496.14575	0.14259283	496.14502	94763	86768	84346	93558	58720	44385	51184	84361	81187	173831	120424	53098	108678	29214	62483	70395	68897	105192	117702	201030	210716	213498	76733	86552	35825	44454	38138	75933	68447	60607	65160	59288	94531	50413	282358	62203	66161	51814	68111	148120	180730	45595	1602	0	0	210799	290718	0	58151	65376	79412	79799	53123	0	116315	62848	41669	59351	107729	63609	79687	142350	140475	85502	33124	79317	52775	71563	85733	79537	98848	62076	54957	62878	47064	54393	0	54153	55346	114819	55056	138890	43175	71002	72056	42515	58333	40048	44404	80040	36052	77018	92798	162721	139522	562	98656	118688	82612	51691	62131	85894	48997	82959	224788	58231	66887	0	41599	126518	Phytochemical	0.54545456	1.1363636	0.045454547
24	C22 H25 O12 N1	496.14496	496.14563	0.08867319	496.145	12818	10444	10705	13241	13000	10205	0	5719	9796	23440	6072	4100	32793	2985	7352	5285	1993	17591	13709	26075	34057	15951	8323	3798	2765	11436	1924	4758	2301	4115	4559	2783	5686	5085	22932	4197	4661	5587	3862	16631	14313	4738	0	0	0	47891	61385	0	3254	4410	13130	7077	10413	0	13515	9262	6886	5767	4471	2734	3118	18876	18575	14204	7565	10692	2861	2171	9236	15959	14971	3099	4218	3976	3589	2256	0	3577	6229	10723	4879	42387	3162	9823	18234	9325	3646	4709	5153	2096	3406	6408	7022	13039	22660	0	11518	13924	12703	8931	11683	2943	2473	6750	42235	3526	8730	0	2401	26937	Phytochemical	0.54545456	1.1363636	0.045454547
20	C22 H25 O12 N1	496.14496	496.14563	0.08807075	496.145	58225	52929	54789	47252	63908	50807	15606	36451	70028	107584	41953	24904	129345	32130	37618	31570	17985	82851	89065	120164	122908	93214	51821	37775	27051	50272	17747	25208	36973	27761	26420	22175	29671	35459	114387	30065	32663	25030	14096	99197	63427	29737	3731	633	392	198720	227613	484	26017	29430	55182	62904	49874	433	95926	54728	24018	22308	32322	22369	28895	72722	89052	68914	29248	54895	38967	13277	54716	65369	57320	31759	28079	32118	22618	26057	507	25279	36741	63193	37681	133042	23212	54613	79045	44661	24584	19126	31572	15821	26735	37201	46388	73607	112430	763	56140	62671	65862	40245	59616	38002	25117	42665	179262	30978	60098	0	23540	97977	Phytochemical	0.54545456	1.1363636	0.045454547
26	C22 H25 O12 N1	496.14496	496.14554	0.067944214	496.145	4236	7018	6915	7151	8172	5080	0	0	7463	21745	3359	0	16130	1965	0	0	0	15586	6808	20085	26512	12618	0	0	0	0	1800	2174	0	0	2409	0	2889	2381	15050	0	4681	2717	0	13861	11746	0	0	0	0	28498	42820	0	0	0	6264	5848	3972	0	6464	6321	0	3703	0	0	0	11697	11693	6053	3117	7540	4747	0	12417	16031	14510	2648	0	0	0	0	0	0	3729	5878	4621	18824	0	6654	12178	0	4648	0	2841	0	2058	0	0	6856	15820	0	7155	11362	5339	3152	5634	0	0	0	26067	0	5070	0	0	18500	Phytochemical	0.54545456	1.1363636	0.045454547
14	C21 H25 O11 N3	496.1562	496.15695	0.12235407	496.15625	229738	259330	223793	259154	169297	143052	136249	189211	225355	519758	272416	134069	281086	90293	183450	190893	148702	281163	250180	495947	493986	483692	220146	210753	112877	151715	102666	153501	169991	174030	184925	183922	224670	153771	645449	167766	219598	166805	129126	220309	308781	126243	2953	0	0	589614	652902	0	181772	180414	235488	246711	149209	0	298583	174117	93107	172440	278549	158488	113502	288486	293869	231797	97118	198126	143364	120932	221400	234139	225168	179836	179979	187865	122276	172018	235	149999	174840	223959	153871	381559	125490	177321	185430	122051	146367	117975	140263	154312	136297	197301	264628	308364	375539	820	273006	274448	164227	137905	145180	189643	139636	238746	631789	188624	166598	0	112783	261781	Peptide	0.52380955	1.1904762	0.14285715
8	C21 H25 O11 N3	496.1562	496.15704	0.10689328	496.15625	17486	22113	16876	16325	9747	7265	11728	22130	17543	12635	12997	18296	19815	2438	15951	26434	23789	15140	21625	18320	22699	36693	17898	24518	5212	869	11027	5430	16177	16240	15985	22314	21244	15970	21982	17511	17756	14724	26272	22394	31988	10123	0	0	0	23600	36912	0	21931	21721	23922	20604	11869	0	23430	10425	9267	21931	17161	20700	29858	16871	23095	19845	8722	14678	13768	33308	0	3776	4056	19655	16866	13082	15822	14602	0	11183	17952	12200	12198	14008	10738	6775	11113	8703	11647	16030	13114	37454	0	22816	34766	20490	12730	0	20393	19609	7264	12021	7878	24523	15132	20995	12497	24077	8697	0	9140	23551	Peptide	0.52380955	1.1904762	0.14285715
6	C21 H25 O11 N3	496.1562	496.1571	0.14682165	496.15625	24060	30545	25454	22317	13569	7759	10218	21844	17682	25001	13507	21751	28893	3296	13198	24882	25038	25591	34068	18396	31223	42771	22504	27255	7436	955	9080	0	17129	18029	19430	18158	29216	20593	28006	21596	22012	15577	27118	14878	44052	13396	0	0	0	24150	41844	0	21850	21649	25063	18418	16081	0	28535	15712	11528	26693	14996	27953	20842	14142	39677	24898	9978	19018	16617	41718	3460	0	0	16452	17144	16164	8360	14910	0	18372	20472	7494	13961	16016	11660	5050	13758	7836	23749	19234	17106	40274	9650	20714	44655	22739	21658	0	22972	24648	10808	18337	18938	35565	18493	19743	0	30680	10534	0	15576	33624	Peptide	0.52380955	1.1904762	0.14285715
12	C21 H25 O11 N3	496.1562	496.157	0.14647481	496.15625	18838	18461	14407	17538	8586	9699	15803	32228	14803	15869	5751	16139	20083	3610	22833	17626	28038	22868	20263	15883	15431	41309	23889	22015	12351	0	7532	0	23845	17876	22577	16709	36669	18881	26430	15814	20239	22869	28716	23982	30611	14918	0	0	0	26170	24057	0	21380	21655	20117	16358	11054	0	27832	10522	8795	26065	29377	19546	22072	23840	26682	17192	9387	17030	11695	22994	0	3512	4411	20531	20779	19740	16017	17882	0	16876	17446	0	16492	18451	16211	5750	12759	7768	17416	13958	16010	26452	13157	30000	44215	20119	12140	0	18679	24285	11085	8031	8825	27738	13739	22627	0	26549	11631	0	14526	24553	Peptide	0.52380955	1.1904762	0.14285715
24	C26 H25 O9 N1	496.16022	496.16083	0.036921404	496.16022	6295	3604	3619	7417	2650	3802	2526	1267	6817	26985	18983	0	3998	2517	0	1660	1363	3073	7341	11922	15169	12484	2242	2519	1519	18618	1561	12552	0	1107	0	0	3225	1855	23889	0	2124	1483	1065	21127	16429	2677	0	0	0	14303	17422	0	0	0	3594	6969	4224	0	3367	2045	2332	0	2147	1729	2671	12013	4164	4340	2442	2830	3315	1604	27438	27339	32835	0	0	0	0	0	0	1099	5123	7606	2509	12123	1367	11582	6245	4391	2593	2612	2124	2623	3505	2908	2242	14978	12881	0	4642	3351	3728	3525	5841	1782	1519	1458	7567	2348	3035	0	0	5848	Phytochemical	0.34615386	0.96153843	0.038461536
20	C26 H25 O9 N1	496.16022	496.1609	0.07449565	496.16025	15484	9334	17505	12733	10948	6642	3082	3587	9412	61063	45980	2523	12483	7217	2402	5724	4178	8163	18599	40487	47533	26726	4903	3040	9191	66121	1782	45102	2825	2497	5553	3065	5920	3355	74312	2834	5596	3929	5757	42294	40197	6204	0	0	0	30197	28629	0	2240	2169	11721	16382	8362	0	11927	7795	6356	3973	5402	4285	2673	27016	13945	7052	4863	10010	5393	4126	66614	71353	80969	3687	1611	2378	2080	2918	0	2125	6180	29124	4239	12809	5874	30944	9611	7383	12415	7327	4522	6429	10983	9787	10790	29420	40835	0	15145	13350	8278	6064	8481	2813	1494	7702	16040	4260	9885	0	4390	13663	Phytochemical	0.34615386	0.96153843	0.038461536
18	C26 H25 O9 N1	496.16022	496.16095	0.14219569	496.16028	15448	8838	11230	9452	11206	3689	1328	2992	8144	55113	46700	1594	9989	7760	4531	5338	0	5838	5826	36643	36150	24211	4847	8508	3886	54585	2842	38053	5335	0	2566	0	3944	0	51206	0	6482	2700	2612	37920	35670	2347	0	0	0	24404	21225	0	5643	3641	11887	14386	6151	0	8751	8700	4155	4781	3716	4256	7051	20558	10314	6119	3096	14578	4266	3447	55064	59064	89510	2493	1462	1249	2238	0	0	1564	7792	21351	4392	13698	2702	23968	9649	8514	8553	5429	5332	8141	9732	12536	8799	25759	35521	0	13474	7644	7938	7765	5699	7086	2425	3985	11881	4494	5782	0	3971	10073	Phytochemical	0.34615386	0.96153843	0.038461536
8	C23 H29 O11 N1	496.18134	496.18225	0.12641113	496.1814	26447	26648	22112	26856	10660	11014	14116	23879	17948	45864	24320	15965	24996	7581	31084	26539	19616	18243	25075	45596	88270	42911	37530	58608	11954	11168	10287	7626	21521	40646	37350	27447	23077	20273	54826	45834	19242	12623	22321	33081	34531	11565	0	0	0	31105	36705	0	29595	24130	26313	55094	11791	0	26072	12646	8080	17662	24591	16757	24948	23657	22445	19725	8093	19838	12781	41490	12605	18919	20218	23335	20211	41174	16294	20537	0	15490	22152	20816	16668	33202	14270	15733	16398	11317	16884	9778	12335	23083	14899	18981	30273	23790	38819	0	47788	24947	12598	13429	13049	21526	14480	37377	18847	32350	12100	0	12880	25343	Phytochemical	0.47826087	1.2608696	0.04347826
18	C23 H29 O11 N1	496.18134	496.182	0.09936881	496.1814	265970	225687	230224	210591	186386	178186	118218	277474	191362	504285	213594	121874	327536	117357	210023	222307	111657	0	315391	611623	517674	312903	204703	256930	178940	325509	95610	167557	268375	0	204549	202189	218036	204937	557823	225028	246077	148357	98210	377907	195802	139856	8940	891	742	513342	381303	400	203266	216509	224812	226620	156827	1054	300691	178449	102303	183830	0	96027	213430	261395	247129	188115	93638	0	0	100574	283507	432505	303101	0	187912	249870	126594	190566	0	155057	149081	147366	144802	288333	133291	211207	210843	149846	130762	116727	135858	103738	181662	242282	258270	166870	309299	1911	229605	255304	177983	0	146673	221717	130467	264503	294817	172063	176322	835	131950	270965	Phytochemical	0.47826087	1.2608696	0.04347826
12	C23 H29 O11 N1	496.18134	496.18213	0.08203837	496.18137	94603	92892	93625	99342	55238	52183	88279	298334	69346	196161	117212	64907	72728	30364	183990	83721	93139	103938	116394	213080	204371	170334	192626	124648	77102	101306	64144	81728	110738	93686	196058	89870	106557	84372	256619	208010	98228	74796	82534	329380	156583	57963	2432	0	0	186236	159609	0	83026	213700	101000	101390	60510	230	101887	54349	37358	99514	137149	97942	111260	126991	87271	73143	34106	73623	57371	88798	139853	128548	138184	93167	97417	109665	75195	88495	0	79591	79007	58980	156202	97191	161366	92809	66902	43010	66990	43327	58043	96401	71129	106707	227076	102266	112765	714	90422	118974	63227	42921	55664	113507	66716	116074	165970	92813	51246	0	61846	82152	Phytochemical	0.47826087	1.2608696	0.04347826
22	C23 H29 O11 N1	496.18134	496.182	0.04477546	496.18137	63940	53994	54475	58081	66195	55951	21280	55538	64315	131231	49417	29098	103389	29803	47739	48218	24133	112970	75145	128496	142269	68733	47897	57998	44858	84091	17545	34373	53665	44485	46004	46453	41915	44544	123738	0	47645	37571	24981	87889	59931	35458	0	0	579	0	139958	0	41245	51217	62496	53832	46909	513	85818	59127	35968	37232	38114	19712	44284	68920	80893	69237	28281	0	32837	23746	84184	130128	86416	0	41546	47787	31196	43667	426	38341	46915	32997	42845	91572	25917	57634	74480	34500	37225	0	0	17373	36318	47424	65086	44981	79895	0	56086	0	59122	44844	46403	48269	28895	54937	116343	40527	60599	0	33636	100890	Phytochemical	0.47826087	1.2608696	0.04347826
14	C23 H29 O11 N1	496.18134	496.1821	0.122090526	496.1814	189317	199900	178518	184857	0	102477	128639	231383	135953	374968	204094	112514	189469	73418	165936	198653	134205	190982	194130	426296	408498	289497	169850	237099	149419	232373	98271	177464	215288	198880	169966	228091	211513	161933	476423	210018	188610	134770	112892	294588	220126	113958	6357	0	0	363601	321750	0	171298	217018	179728	182600	107971	0	198892	107051	74020	201633	290476	154501	249104	223654	157782	142175	73846	141733	107698	113691	249449	293434	222886	183093	165314	229042	122614	162460	0	143236	126733	148094	119164	195224	136006	169857	138758	98631	122824	101297	101857	152683	166185	170271	240575	161167	231970	1354	196672	225789	108659	89452	0	213420	123221	275382	364134	153251	105816	390	115587	160253	Phytochemical	0.47826087	1.2608696	0.04347826
28	C23 H29 O11 N1	496.18134	496.182	0.13235514	496.1814	4566	5209	6848	5342	7332	5418	1318	6505	6634	22095	3656	1801	12400	3148	4745	5245	2435	8507	7517	23657	27763	5542	5250	6664	0	15206	1685	3855	2964	5013	3800	3077	3728	4548	20666	3150	3532	2059	1955	11718	10478	0	0	0	0	16191	19052	0	3838	4157	5387	5000	4117	0	5689	3334	2044	3877	2327	1922	4515	6330	6287	5473	1759	6386	4093	2510	12415	28530	21613	4928	4586	3528	3849	4150	0	3355	3900	2975	3818	8405	2193	7913	7432	4245	2840	2761	3456	2295	3760	5021	6921	3019	5179	0	8196	6746	4509	3367	4342	2310	2257	4669	9488	3185	3117	0	1685	9005	Phytochemical	0.47826087	1.2608696	0.04347826
26	C23 H29 O11 N1	496.18134	496.18204	0.095012374	496.1814	9530	8022	12962	8519	11324	9111	2375	7882	9732	30953	6498	4984	21300	4736	7606	6019	6468	14425	12630	30846	35061	9692	5145	10921	0	17451	1924	4273	5019	6114	3969	4954	4631	7484	28194	6868	7476	0	3379	22145	12707	0	0	0	0	25897	39255	0	7215	0	9763	9439	7447	0	10693	8960	3670	7308	5149	3523	5598	10337	16295	6901	0	10457	4881	2313	17714	29341	32305	8062	3996	0	0	5623	0	4452	5605	5686	6980	17413	5069	8799	12891	0	7883	2826	4786	0	5884	5680	10535	5424	12935	0	10238	9506	9498	6252	8256	5102	3973	9064	17381	3995	6088	0	4261	19971	Phytochemical	0.47826087	1.2608696	0.04347826
24	C23 H29 O11 N1	496.18134	496.18198	0.060440145	496.18137	22351	18950	25515	22746	23779	21830	8291	16364	27034	59320	14697	11984	49395	11574	17304	16595	8135	36617	31884	53920	64947	16121	18800	20862	12320	38276	4451	10596	15103	12422	12683	10580	13530	16608	44970	15089	14953	11761	8669	36928	26343	8561	0	0	0	57366	66649	0	14972	17429	18527	23315	17442	0	25669	17762	8088	18422	12678	7951	13847	31046	29827	25154	11577	23855	13321	10647	41679	61537	44486	18244	15536	15492	12412	11486	0	11971	20099	10729	15918	39627	7287	24181	31899	13473	11839	9075	12549	6137	13951	14591	16062	12747	30898	0	22529	27207	22389	16563	23945	9918	10235	20603	43475	13052	18195	0	9308	43398	Phytochemical	0.47826087	1.2608696	0.04347826
6	C22 H29 O10 N3	496.19257	496.19348	0.08286361	496.19263	17316	18731	14606	19313	6367	7618	11435	19781	8311	14842	6134	10922	11366	3798	15105	20576	14272	10270	15317	12781	13441	24205	13752	26200	10701	1105	9362	4729	14347	16358	17396	18861	21371	13099	21745	19991	20485	13128	22369	15191	14622	8066	0	0	0	15492	17703	0	25357	13527	15354	15782	7709	0	14227	5087	5131	20945	15442	13797	19230	11619	13103	12331	6092	11273	11924	19884	0	4791	4958	16240	13820	12511	7797	13628	0	9166	13363	3508	9795	7804	9982	5587	6622	6564	15317	8762	11302	28582	19164	23617	32644	9618	14082	0	13680	16641	3700	6073	5720	18999	10629	22117	0	22261	3737	0	10650	14575	Peptide	0.45454547	1.3181819	0.13636364
8	C22 H29 O10 N3	496.19257	496.1934	0.0396858	496.1926	34358	26066	22177	32248	8612	10613	17445	34952	11823	21107	10661	17724	19448	4146	22162	34404	25162	15298	22149	26588	23481	43847	21410	39744	20486	717	16127	6946	28884	27338	29712	37228	35717	25115	32220	28433	35723	20035	29411	27054	19501	12096	0	0	0	27082	22089	0	31524	27193	29255	30652	12821	0	22304	8350	11246	34917	28983	19240	39225	17099	17850	15273	9852	21185	13549	29600	0	8137	5313	22727	24320	22904	17146	24062	0	18070	27842	11585	17873	14014	16923	13891	10663	9996	21974	13546	15181	39090	44066	40828	65672	19094	22019	0	28806	26507	7444	8890	8328	28594	18340	42620	7837	27936	7551	0	22268	20111	Peptide	0.45454547	1.3181819	0.13636364
16	C22 H29 O10 N3	496.19257	496.1933	0.17282064	496.19266	130158	146787	134678	153505	87208	85501	86773	147959	114039	347852	159536	79997	111044	48502	119080	126947	88655	131168	140389	270140	252344	165811	136839	156597	100746	190526	73641	129452	144261	118900	135713	127271	141342	110201	331946	140106	150822	97626	88766	236381	136642	71569	2332	0	0	199511	148596	0	146156	140720	141382	142571	88450	0	169534	74362	49971	133542	142606	77498	150246	122518	129348	105228	48216	97724	69343	95445	159708	278214	242472	127772	135491	141714	82488	111550	0	99021	126950	80828	99127	116282	105739	144020	85638	65546	115496	66820	71353	66760	146178	147631	126986	102080	172909	0	138287	134042	88810	63884	65684	155470	79888	133172	109564	108666	76750	0	102124	133821	Peptide	0.45454547	1.3181819	0.13636364
10	C22 H29 O10 N3	496.19257	496.19336	0.060487214	496.1926	32941	34687	30858	31199	9397	13411	22000	44167	16023	29415	11286	19649	15068	5146	31822	39352	23729	22855	23117	31450	27733	53803	30383	45927	30389	2686	16981	9009	31048	30221	30970	40968	43571	35886	29695	37613	40918	30629	31870	38462	20063	13725	0	0	0	36696	19459	0	40251	32079	33870	30454	15417	0	23519	6667	10867	41197	44720	27011	35245	22526	16369	17456	10068	15844	20193	27897	0	9990	4141	38985	26159	34124	23424	28962	0	27929	30407	16960	23393	21486	26615	14751	9639	12391	28240	17262	16246	41901	40647	50483	81347	18646	27278	0	36436	33816	7445	7057	6828	50835	24783	49916	18956	43763	9385	0	30153	23387	Peptide	0.45454547	1.3181819	0.13636364
14	C22 H29 O10 N3	496.19257	496.19324	0.038754787	496.1926	24139	21437	13640	17240	5211	8670	17078	32434	12393	0	0	14131	10009	3846	29542	22566	13526	11218	13356	15291	14751	27151	25508	28142	29647	0	15710	0	28130	19889	20619	31218	34361	22418	23143	20100	29038	24556	14723	17255	8212	11744	0	0	0	18567	10611	0	24412	22235	18883	18190	7507	0	21291	2903	6570	19012	44231	10561	29052	14584	8511	10555	8396	8788	12285	11651	0	5686	0	20961	20566	21871	11873	20652	0	18439	12710	0	14284	8711	17036	7957	5773	7262	20577	11337	13364	28873	25541	37543	48320	11047	12412	0	17576	16087	6808	5340	6139	25644	11089	25761	0	24964	5889	0	22133	16898	Peptide	0.45454547	1.3181819	0.13636364
12	C22 H29 O10 N3	496.19257	496.19333	0.070377745	496.1926	33652	25219	21218	24305	13864	14090	34495	49007	16226	20650	9678	20744	13674	3978	37593	31285	24015	17184	21783	32621	17525	48587	29564	44689	35738	0	15839	0	44423	23870	38711	30600	45576	33172	32275	30541	43979	29567	24926	34381	16267	16734	0	0	0	38351	20858	0	33499	29721	31707	25792	13127	0	24651	7457	12745	38858	53679	15123	22455	23506	16369	20466	9813	20244	15949	22697	0	8571	0	32494	33975	27340	15490	28237	0	29600	26611	0	22990	15205	28495	16136	7004	10301	26803	15252	19897	49554	36780	62822	75499	14743	13429	0	24378	32471	10631	7140	6868	39310	27632	36330	0	31753	10814	0	29142	18212	Peptide	0.45454547	1.3181819	0.13636364
20	C27 H29 O8 N1	496.1966	496.19727	0.040094513	496.19662	19435	16806	15985	12439	10385	8673	4391	5009	10151	39602	40262	5068	7110	13335	7111	15365	9284	12344	13517	42075	59358	23116	7978	10375	5928	75271	2554	46225	7623	6289	3218	7650	12730	4414	56838	5580	12815	5267	8959	38745	49235	9009	0	0	0	21291	22311	0	10772	7818	17509	14036	9185	0	4855	7891	6764	10359	7741	11239	9134	24791	10138	7761	5939	11940	9895	5809	63462	85634	89280	5973	4378	4317	3732	4836	0	4855	8305	20196	6996	14862	8435	38026	10408	5446	15144	8927	5604	20505	17383	18166	26575	20597	27753	0	13066	16391	11313	5987	5874	8636	5217	13217	9400	14801	6643	0	9927	9394	Phytochemical	0.2962963	1.074074	0.037037037
26	C27 H29 O8 N1	496.1966	496.1973	-0.011955464	496.1966	3825	0	3158	2815	1984	0	0	0	0	7014	12151	0	0	0	0	0	0	0	0	8995	9561	4254	0	0	0	7866	0	8447	0	0	0	0	0	0	7824	0	0	0	0	6426	12279	0	0	0	0	0	6372	0	0	0	0	4174	0	0	0	0	0	0	0	0	0	4613	3776	0	0	1576	2141	0	15420	14016	25761	0	0	0	0	0	0	0	1952	5843	0	3922	0	3920	0	0	1720	0	0	4222	0	2859	0	3453	0	0	3335	0	0	2341	0	0	0	0	0	2054	0	0	0	2480	Phytochemical	0.2962963	1.074074	0.037037037
28	C27 H29 O8 N1	496.1966	496.197	-0.01112499	496.1966	1136	0	1350	1577	1285	0	0	0	1198	2210	2403	0	0	0	0	0	0	0	0	0	3338	2635	0	0	0	5220	0	4727	0	0	0	0	0	0	2954	0	0	0	0	5159	6645	0	0	0	0	0	3616	0	0	0	0	1447	1210	0	0	0	0	1275	0	0	0	1528	1076	0	0	1110	0	0	12199	13044	22303	0	0	0	0	0	0	0	0	2808	0	0	0	2576	0	0	2042	1203	0	1702	1098	0	0	2852	2677	0	0	2052	966	1246	0	0	0	0	0	0	0	0	0	1017	Phytochemical	0.2962963	1.074074	0.037037037
18	C27 H29 O8 N1	496.1966	496.1973	0.005780631	496.1966	14304	9548	9412	12126	7481	4182	0	7484	7431	32891	27332	2153	5791	5253	4467	10204	8244	3809	7696	31310	40931	17450	5352	6670	7807	55217	1819	32313	0	5134	6515	0	10295	6780	38176	4591	5890	1550	5627	27496	33799	2310	0	0	0	15858	10270	0	6974	7923	6977	9097	4048	0	5044	4905	5416	7389	5981	6641	7297	14292	9136	4934	4501	7432	5828	9863	43971	51650	73664	4920	2686	3921	5620	0	0	1836	5920	8269	7118	9234	5783	27974	6552	3291	8403	5990	4964	20021	13741	10847	16045	13293	20755	0	14975	14781	5114	5595	9506	6179	3138	7471	8182	9944	6566	0	7495	7494	Phytochemical	0.2962963	1.074074	0.037037037
6	C21 H29 O9 N5	496.2038	496.20477	0.05009423	496.20383	3889	4116	3780	4241	1649	2742	0	5604	2763	1486	1938	2771	2655	935	3743	6121	3808	3037	3930	0	0	3613	2793	3990	1897	0	2024	2549	4847	4087	3522	6428	5235	4597	2737	6210	4747	2477	4338	1941	1705	1561	0	0	0	0	0	0	0	2924	3798	4682	2618	0	1915	1550	1082	5323	0	0	5694	0	1600	0	0	4060	2002	7024	0	0	0	6471	4656	4620	1659	2235	0	2937	3947	25113	2498	1653	1254	0	2051	0	0	1886	2618	4555	14094	10054	9329	3123	0	0	4315	4329	0	1734	2113	5563	2295	0	0	3573	1875	0	2537	3568	Peptide	0.42857143	1.3809524	0.23809524
4	C21 H29 O9 N5	496.2038	496.20453	-0.052185882	496.20377	1896	2869	1734	2191	1386	2179	1427	2442	1294	0	0	1552	0	920	1636	2536	2415	1623	1464	0	0	1849	2207	2591	963	0	1038	0	2793	1373	1386	2070	2050	2237	0	3280	2434	1701	4094	0	0	970	0	0	0	0	0	0	2649	1750	2885	1591	891	0	1891	1216	1077	3293	804	0	3529	0	1165	1894	0	3348	1268	3719	0	0	0	3032	3924	1920	0	0	0	1796	1825	21044	1348	638	477	0	1728	714	2807	1442	0	3624	4955	3937	6545	2385	0	0	0	2180	845	1771	1352	3454	1523	0	0	2966	1383	0	1660	2571	Peptide	0.42857143	1.3809524	0.23809524
14	C24 H33 O10 N1	496.2177	496.2185	0.084872834	496.21777	117387	126307	111221	108970	65309	56591	93127	163244	77356	155688	74607	92658	101473	43447	113228	162510	113744	103749	120273	231712	194000	146507	129639	178572	120987	171098	82450	94688	149397	141990	114390	136926	133974	104901	183978	154762	118499	96652	99824	137018	113613	79424	0	0	0	157945	139887	0	121755	153417	113761	108056	61052	0	103550	68974	46150	135636	151374	102504	167057	100994	88843	80212	40862	69384	71330	91486	182277	169731	147403	112104	112581	157495	109678	112206	0	95066	106436	82644	101367	78774	101362	89091	94977	72992	88153	69290	78579	116409	125199	116674	177930	67448	103649	0	112178	131809	62450	63495	72454	143037	81669	213538	89778	101149	63266	0	84256	77663	Lipid	0.41666666	1.375	0.041666668
26	C24 H33 O10 N1	496.2177	496.21838	0.007638004	496.2177	20288	14481	18165	18231	20094	13960	2993	12592	19166	41558	11527	9098	41579	6841	12257	17382	6429	29747	24867	45100	52774	13315	11533	27821	10343	33017	4845	11354	14662	13374	12731	11960	14363	12283	37064	13717	13514	10109	6751	22563	13983	0	0	0	0	30683	23867	0	10335	11184	19500	19976	10552	0	21236	22813	6341	15720	9414	7573	20490	16207	33517	19281	3755	19454	11805	6263	26950	67740	48353	20635	11496	12389	14828	8099	0	9792	17107	5602	12296	16478	9588	15553	21573	13373	14666	9629	10225	8341	10353	8521	18755	6997	20485	0	16839	18465	15662	13503	16312	15296	7505	14629	14157	11299	9895	0	8799	31753	Lipid	0.41666666	1.375	0.041666668
28	C24 H33 O10 N1	496.2177	496.2184	0.10531687	496.21777	7578	6343	6259	7558	8286	5993	3091	8147	5483	22020	5322	2685	17834	2775	4284	7337	3170	10886	13341	25565	23162	5494	6811	9686	3825	20193	2150	8124	5512	7230	4080	7247	4869	5362	20093	4764	4956	3157	4367	9650	7338	3180	0	0	0	11198	8388	0	4848	5059	8234	8080	7415	0	8668	5906	3262	7887	2503	1356	6707	6038	10783	6621	2049	8764	6252	3267	14813	36415	27900	6555	4875	5313	3333	4199	0	2970	6622	2300	4842	6207	3044	8180	7906	3541	4311	3293	2845	3666	5518	6889	9112	1151	5703	0	5840	7120	4653	5194	6099	4388	2416	6550	6112	4748	3893	0	3277	11287	Lipid	0.41666666	1.375	0.041666668
8	C24 H33 O10 N1	496.2177	496.2186	0.08511059	496.21777	16594	15391	15767	14183	9244	8217	9151	19548	9567	29963	12358	9889	21940	5304	12243	16900	10728	12198	15696	29880	29227	29445	10945	22482	11148	8517	9479	7534	18107	16366	16595	17735	18733	13507	37638	15788	20565	13089	11855	26018	16861	10237	0	0	0	17316	10751	0	21017	16441	18083	18124	8755	0	14670	12513	5809	20777	12549	8873	19697	13212	14380	10389	3504	12396	9130	11528	8415	17311	11614	17306	16745	13604	9733	13968	0	11629	11182	11119	11611	9247	10002	14638	8240	6904	10364	7283	9413	17821	15704	23767	23287	11575	22040	0	19577	17013	6914	8240	8340	16428	10676	33603	8801	12603	5543	0	12319	13909	Lipid	0.41666666	1.375	0.041666668
10	C24 H33 O10 N1	496.2177	496.21854	0.10024944	496.21777	27895	30747	28466	27891	14424	12054	15430	38753	15315	50969	21776	20198	26568	9409	24151	26869	21683	17812	26553	55291	47596	39392	23530	40048	23805	22249	17513	11963	36874	32999	28770	37737	34898	27501	63871	31122	32146	19473	23307	44179	30576	15500	0	0	0	35389	29649	0	33512	35317	28338	27851	11346	0	24639	13673	9714	30900	25989	17684	28855	18849	22636	19735	5440	17031	18895	23544	19114	38150	30503	28912	30755	35979	21691	29929	0	20222	20026	20650	19424	18725	20374	17735	18256	11181	19640	9792	16814	29159	27769	35737	45401	20925	31028	0	33402	32105	12508	15384	12592	35412	19827	41888	30061	22745	11700	0	17937	22152	Lipid	0.41666666	1.375	0.041666668
20	C28 H33 O7 N1	496.23297	496.23358	-0.06312922	496.23294	9319	12463	8984	8052	6800	3216	6918	8294	6803	12104	22292	5803	3081	6001	4897	11699	12299	3853	6837	21782	20721	10711	3670	13525	8509	34193	5016	24300	9578	9301	5777	8388	7541	10188	15930	10319	10678	7382	12987	19511	25394	3858	0	0	0	6758	7812	0	12241	6307	12794	11873	4446	0	3854	4139	4987	14768	7058	8339	12069	15786	3165	3196	6351	6425	6945	10679	32420	38402	42407	8416	4681	4141	7572	8102	0	5516	11524	8589	9516	5282	9184	21322	4407	3103	16794	7770	7557	25931	15425	15306	23605	7860	11931	0	10625	12876	5427	4432	4143	10178	5784	12597	7914	11487	2188	0	11928	3870	Phytochemical	0.25	1.1785715	0.035714287
24	C28 H33 O7 N1	496.23297	496.23358	-0.003156495	496.23297	10321	14662	11899	14209	7483	5508	3961	9561	5853	21673	37341	6156	7497	10811	8344	12138	8006	7328	14234	32295	33657	18068	9887	14284	7310	59473	2459	30760	9721	11682	9247	9639	11888	8034	17904	7801	8827	5191	13307	30788	28146	6024	0	0	0	21904	19275	0	8902	10267	12789	13287	9730	0	6473	7940	4140	15318	6953	10505	12694	14754	5636	6158	4391	9669	7415	6744	57368	53553	68389	12728	7889	7407	4128	9146	0	5201	10605	16706	6921	12602	8440	23672	7968	5274	12611	10745	8450	19178	9345	13404	28344	17437	13507	0	12434	13341	8137	10810	6597	10514	3892	13959	12025	10115	4955	0	12730	7270	Phytochemical	0.25	1.1785715	0.035714287
26	C28 H33 O7 N1	496.23297	496.23346	0.02687772	496.233	4853	4078	5344	4115	5510	3001	0	0	2578	9794	11990	3431	0	2157	0	0	0	0	4164	6966	10799	3944	0	0	0	28896	0	14473	0	0	4278	0	4246	3343	7456	0	2782	0	3685	13550	14168	0	0	0	0	0	0	0	3601	0	3486	3214	5156	0	0	0	0	5192	5110	0	6147	7935	2028	0	0	2529	5482	3495	35862	18859	29722	3157	3759	0	0	3617	0	0	0	5201	0	4931	3012	7871	0	0	3695	3610	2558	5912	3513	3212	5942	5339	0	0	5111	0	0	4453	0	6726	0	0	0	5779	0	0	2775	0	Phytochemical	0.25	1.1785715	0.035714287
16	C28 H33 O7 N1	496.23297	496.2336	-0.013727828	496.23297	8039	5653	2147	2976	1834	1615	5913	9821	0	3824	8389	1016	1799	0	3793	7904	1652	0	2151	17838	8983	9956	3529	7554	9026	15864	2796	6127	8732	7565	8188	7186	3525	0	11224	6667	1657	6471	3260	12024	3222	5117	0	1798	2079	7634	0	3237	9682	6819	8139	6841	0	2188	1854	0	858	8278	4796	1864	0	4604	0	1260	2450	3287	5021	9067	6227	12246	21184	0	0	4024	2667	5170	0	2135	6593	0	2428	1107	5229	4687	1282	0	8621	3511	2321	0	18958	11118	0	1906	5570	1917	4200	0	0	0	0	2715	4962	9899	0	0	0	1650	6971	4389	Phytochemical	0.25	1.1785715	0.035714287
22	C28 H33 O7 N1	496.23297	496.2336	0.017602071	496.233	17884	15961	18619	16268	5899	7972	8847	12700	8857	27591	35941	6866	8069	14742	9211	18038	14014	9345	10635	36436	32620	20887	11312	20589	14688	68339	7030	37739	14783	7792	9481	8024	13825	13931	29207	11494	15349	8360	13624	42289	42929	11562	0	0	0	18632	23239	0	14345	13535	13509	16988	9080	0	7718	6869	5917	13646	10881	14596	21134	18896	5617	5154	4981	11361	17977	12997	56583	63412	83620	14636	8644	9220	9056	9936	0	6145	15233	18430	8295	10223	10566	26608	11311	6566	20225	15062	13869	32059	18036	19555	36820	18294	21560	0	14049	12725	6289	3838	7535	16479	6401	20427	12665	17428	6415	0	11315	10114	Phytochemical	0.25	1.1785715	0.035714287
4	C22 H33 O8 N5	496.2402	496.24155	0.2310185	496.2403	1383	1803	1968	1211	813	1736	366	1539	801	0	0	0	1338	0	1069	1524	1239	1160	821	0	0	0	1386	2318	1978	0	0	89443	1479	1553	1040	0	1855	886	0	998	1798	1686	964	0	0	0	0	0	0	0	0	0	1242	895	0	1319	0	0	1332	941	0	1573	345	0	0	0	360	710	0	875	0	1304	0	0	0	0	1002	1128	0	1444	0	1481	874	52452	718	0	262	343	859	455	0	0	0	967	25585	10618	1548	1649	0	0	1074	1598	0	1372	1682	1539	821	0	0	600	473	0	771	1732	Peptide	0.36363637	1.5	0.22727273
6	C22 H33 O8 N5	496.2402	496.24112	0.24899513	496.24033	2939	2684	1643	1764	721	2139	1260	1660	1261	0	0	760	0	2379	1119	0	0	0	1328	0	0	727	1354	1340	1655	0	0	7683	1571	1146	1849	1464	2263	1584	990	0	1934	844	0	0	0	525	0	0	0	0	0	0	1896	1304	2657	1438	654	0	1563	1811	0	0	0	0	2891	0	0	0	736	1384	0	0	0	0	0	1844	2075	2025	0	1445	0	770	936	68024	1082	0	524	0	0	0	0	745	0	2702	37328	16764	3548	3606	1160	0	1632	2587	678	726	1078	1464	936	0	0	2453	517	0	841	2073	Peptide	0.36363637	1.5	0.22727273
2	C22 H33 O8 N5	496.2402	496.24057	0.006060182	496.2402	1366	2145	1809	1450	727	0	1674	2454	1212	353	0	1965	927	800	1812	995	2388	1390	1815	0	792	1244	1241	2852	962	0	0	7061	2049	1691	1871	1980	2791	2499	1013	1807	1826	0	1952	0	0	0	0	0	0	541	251	0	2381	1746	988	1845	1030	0	1385	391	462	2363	379	0	855	230	1506	1444	0	1501	1020	2269	0	0	0	2539	2523	1920	684	2337	0	0	2226	22519	971	0	0	0	651	709	1155	953	789	2456	20310	5830	3170	2618	0	0	1706	2586	0	777	939	1304	1546	0	0	2178	866	0	1181	4288	Peptide	0.36363637	1.5	0.22727273
18	C25 H37 O9 N1	496.25412	496.25476	0.001057177	496.25412	161659	146491	144870	149627	115739	90513	105105	220869	93898	149424	113674	107117	145255	66353	151411	0	137856	162866	203940	248185	212711	116662	173970	237384	145406	226615	101494	103911	218332	193028	149147	186151	184670	184869	144574	207116	176682	120651	118337	153511	105159	108066	3080	0	0	165024	118250	0	0	178306	151859	138029	100357	329	165372	113269	82561	174137	127463	101037	207534	104735	127470	111973	65190	129697	96123	131120	175253	221319	205429	159562	0	186943	162725	177408	0	120717	149793	82649	126193	95512	112501	95358	148505	103209	144227	91504	111652	132732	155878	167708	243840	73236	129901	785	152453	175788	93634	93334	105473	204244	100554	201638	85615	156713	108439	0	109949	122919	Lipid	0.36	1.48	0.04
16	C25 H37 O9 N1	496.25412	496.2548	-0.014909475	496.2541	64837	54451	59957	64173	38045	36324	51701	96175	40800	49769	44079	49913	52215	22956	63572	102059	76402	55711	68582	96744	74883	58737	80271	109869	63824	73164	55052	32309	85735	90925	72027	76412	75827	64414	58917	100527	72615	50947	73332	59097	50923	46362	1506	0	0	65301	63464	0	77068	93112	64875	52100	41499	0	53815	37703	27496	80580	51470	48422	92583	30451	37487	34920	24230	31093	38451	73014	74360	91698	76726	66464	78004	106550	87823	71944	0	58710	71061	49685	51612	42606	56078	44299	64262	34170	67539	35599	44708	57639	68255	74042	112344	33911	58117	494	68109	83025	32941	35511	51483	91370	44371	99167	31055	75587	44411	0	64424	39427	Lipid	0.36	1.48	0.04
14	C25 H37 O9 N1	496.25412	496.25485	0.041335814	496.25412	26621	16165	23027	24754	10705	13100	21010	39152	13933	23006	12956	20930	13189	9481	26215	40628	35637	13611	23725	41054	27574	35280	27231	40352	31745	23916	19339	13350	37195	35396	30009	30040	31556	21179	27959	38290	32310	26391	28882	25090	18936	16746	0	0	0	36218	28757	0	34196	44411	19156	20678	11534	0	17427	13325	9968	35667	20165	23200	28301	11813	14039	14418	8547	13661	13551	33346	21928	27408	24798	23669	22206	38501	37087	31290	0	26313	27603	20043	27994	15351	19353	10222	13255	14140	21008	11597	15903	40744	28565	29270	47713	9599	22670	0	25083	26723	10626	12537	19636	36427	20050	44318	0	22155	11211	0	24522	13176	Lipid	0.36	1.48	0.04
26	C25 H37 O9 N1	496.25412	496.25476	0.002042089	496.25412	24285	22830	29559	25495	39781	18472	7965	27406	32338	53532	23073	11059	51359	11033	25929	19875	14993	39571	41415	65479	63665	20421	22635	30650	18903	59217	8362	21818	27152	22067	22131	21949	20585	17174	61571	26176	32953	16581	14789	39863	26553	13536	0	0	0	44304	22054	0	25783	26308	30823	26294	22584	0	41274	31091	12978	22401	13587	12103	28893	19724	39049	29967	11040	30952	15647	13573	48094	95895	86386	28274	21528	21437	14338	18816	0	17588	23666	8735	15446	13437	14012	26150	25135	13058	22761	12301	17568	16959	22733	20145	36689	9343	25633	0	24234	28936	16668	26369	27714	26562	12701	22706	18271	19798	17765	0	11972	41658	Lipid	0.36	1.48	0.04
12	C25 H37 O9 N1	496.25412	496.2549	0.1095292	496.25415	11620	12393	15181	10429	6056	8854	11945	26361	4340	16008	4827	8349	4585	2581	16854	12608	13289	6301	7442	18766	21155	14111	10886	12321	14440	11748	9465	0	19874	12271	16355	14583	22286	11751	22517	17573	14709	13108	13877	12576	8567	4836	0	0	0	6777	8824	0	17593	16149	8117	4588	8528	0	7348	4445	4387	14029	0	0	0	10565	6185	4708	2484	7764	7548	15121	0	10397	8655	16389	12436	19513	9959	12047	0	10461	9972	0	9589	4991	7122	10829	5451	4204	12990	3902	5232	37904	17810	15928	31717	7808	9292	0	13464	15136	3077	4727	4592	16498	8731	14241	0	16357	4563	0	8898	5612	Lipid	0.36	1.48	0.04
16	C29 H37 O6 N1	496.26938	496.27026	0.3523421	496.26953	3756	0	5104	5102	2172	0	4813	2874	0	0	4099	4988	0	0	2299	4891	3734	0	0	0	2984	0	3041	10270	2217	5610	9302	4698	3049	3343	6328	4773	0	3733	1633	6291	3742	1939	8305	1544	0	0	0	0	0	0	0	0	4805	5401	1866	0	0	1043	2263	2182	0	6052	2366	1574	0	0	0	1324	1503	0	0	8461	0	3391	3352	3411	0	8904	5559	3514	0	3747	0	0	3715	1275	1638	2708	3953	0	4826	0	1136	0	23779	2436	0	0	0	0	0	1630	0	0	2600	7421	1800	0	0	0	1698	0	2154	0	Phytochemical	0.20689656	1.2758621	0.03448276
26	C29 H37 O6 N1	496.26938	496.26987	0.021938615	496.26938	4919	4192	3765	3274	2849	0	2211	9465	0	4776	9837	0	0	2463	0	8875	6152	0	0	8282	9724	3142	0	6901	6989	30702	1564	12877	0	0	5524	5290	5991	7240	4014	10238	7287	0	3621	6207	11739	0	0	0	0	0	0	0	3791	6661	2712	3940	3666	0	0	0	2896	7923	4397	0	8516	6989	0	3320	0	4327	4199	7682	28925	12058	18906	5208	4135	0	0	4473	0	0	3339	11676	0	3923	6346	10253	4987	0	7571	0	3515	7041	8414	6421	9439	5700	0	0	5836	5844	2437	3736	0	7042	3334	6523	0	6521	0	0	4393	0	Phytochemical	0.20689656	1.2758621	0.03448276
24	C29 H37 O6 N1	496.26938	496.26996	-0.033002198	496.26935	8765	11225	9535	7902	5135	3806	2990	10888	4208	7386	17819	5786	3009	2966	5726	15271	14307	3299	7278	12021	9345	5635	7238	10641	8973	37676	2713	19834	6048	9301	5632	11946	9396	9824	8076	13566	10647	6273	12765	14663	18919	5426	0	0	0	9365	8516	0	9766	10158	8246	5242	6468	0	3049	2154	4473	10825	5496	7500	9206	7835	2392	3181	2643	5945	3240	15456	30692	20400	32530	10106	11818	8051	9036	9652	0	5759	6943	13101	6549	5196	7242	10034	4885	3598	11023	7448	7636	14463	6345	11301	15353	8377	5759	0	10113	6797	4330	4393	4389	16330	4652	12169	5662	9663	3891	0	7915	2282	Phytochemical	0.20689656	1.2758621	0.03448276
26	C26 H41 O6 N1 S1	496.27274	496.27274	0.31224334	496.2729	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2995	0	2900	0	1885	3454	0	0	0	0	0	0	0	0	21847	0	0	0	0	0	0	0	0	0	Organosulfur	0.23076923	1.5769231	0.038461536
26	C26 H41 O8 N1	496.2905	496.29114	-9.08E-5	496.2905	45034	42444	48691	42257	55503	30560	26869	63556	45455	51130	35678	25625	59645	25277	41920	51686	39916	60514	74286	81810	60756	39922	37434	62542	55175	68288	25723	42139	72832	61391	45468	52828	63099	51326	78750	62825	76109	37943	34628	48606	27647	37344	0	0	0	50730	20383	0	60385	48585	47737	43078	40092	0	75522	51093	23799	54294	47680	22052	64130	33544	56346	38401	15313	44486	49974	36767	58971	98748	67566	49188	49311	57549	26154	53049	0	39513	67174	19260	37575	23425	40491	36679	47593	33554	55619	27180	37096	30811	58753	67787	67378	22471	45079	0	39313	50639	23789	43200	52987	63953	26842	62328	35655	40749	39917	0	40911	47219	Lipid	0.30769232	1.5769231	0.038461536
18	C26 H41 O8 N1	496.2905	496.29114	-0.037778057	496.29047	11147	13235	13062	12925	7460	8024	14215	21851	3703	0	3967	11137	4185	6662	14790	18645	20046	9778	15164	9064	5356	5751	11969	20640	14441	13151	16165	6339	24471	15332	15656	18178	14208	14501	8911	14986	14572	12659	24934	4658	3379	11554	294	0	0	7807	7481	0	22259	19356	10870	14723	11958	0	8352	11964	7264	15734	21392	17118	21135	3217	4203	5586	6083	6322	7837	22967	9840	7825	4975	11107	18377	24974	25029	18766	0	13129	17217	4757	12095	4539	13934	3455	13671	11434	13755	6568	9357	24225	9201	15880	24176	6363	6453	0	13955	13937	5119	11316	11635	21631	14129	33145	13500	11934	9479	0	9490	3640	Lipid	0.30769232	1.5769231	0.038461536
20	C26 H41 O8 N1	496.2905	496.29114	0.006036545	496.2905	40861	35994	47053	38249	44087	30603	40991	65915	37672	28918	26912	41143	34901	23949	45971	71748	58181	44131	72304	47760	41480	22715	41953	55643	37010	55952	42757	25260	64483	66937	46968	51093	64677	47526	36606	59456	63352	42182	52824	30468	28184	39004	661	0	0	30692	29100	0	57439	47835	43145	42297	39354	325	47279	36739	26106	58993	29045	30293	53030	12868	34133	32249	25160	33467	29514	56300	37175	49929	53800	40592	44991	58922	66135	54655	0	37960	48053	25144	37298	16175	36050	23546	57196	30977	54735	29391	39951	46001	55860	46053	58015	16514	24632	0	41962	49352	30585	34853	56952	76349	36948	57230	20406	51782	36942	0	37957	40504	Lipid	0.30769232	1.5769231	0.038461536
12	C30 H41 O5 N1	496.30576	496.30637	0.053732727	496.3058	3583	2534	4105	7329	0	0	0	13987	0	0	0	2084	0	0	9284	93363	0	0	0	0	0	0	7569	117102	46743	0	0	0	0	0	1006	0	0	0	0	0	0	8284	0	0	0	0	0	0	0	0	0	0	0	0	4652	6740	0	0	0	0	0	67257	0	0	73248	0	0	0	0	0	0	0	0	2223	0	1613	0	0	0	0	0	1370	6800	0	0	0	0	0	0	0	23150	0	0	173787	2690	0	84838	0	0	0	4871	3362	0	0	0	0	1512	0	0	10440	0	0	3519	0	Lipid	0.16666667	1.3666667	0.03333333
8	C24 H41 O6 N5	496.31296	496.31332	0.00826113	496.31296	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5901	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	58122	0	0	0	0	0	0	0	0	0	0	83991	15609	0	3223	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.7083334	0.20833333
10	C24 H41 O6 N5	496.31296	496.31326	0.00987715	496.31296	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2875	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48411	0	0	0	0	0	0	0	0	0	0	108452	17024	0	3619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.7083334	0.20833333
24	C27 H45 O7 N1	496.32687	496.32745	-0.0298785	496.32687	15695	17136	16150	16340	21329	16921	38829	18344	17964	10225	6273	11116	16298	15552	17003	26782	22965	14586	38669	10810	9329	7992	11884	13240	14364	14832	34887	11344	24319	26956	12920	24568	27365	17906	14232	28658	23223	12548	29922	7077	8024	14895	0	0	0	5656	6172	0	24948	23618	18119	16072	19351	0	33197	16856	9061	23085	12075	11840	24101	4114	15808	16215	11083	20593	20547	26249	7353	13189	9198	11091	18230	25209	21911	23679	0	11383	18732	9329	8765	6549	20253	9136	24400	11986	24537	14803	15584	25085	22191	21072	18478	4797	5661	0	12380	19708	11385	16786	27294	33893	8996	21502	8021	17788	22300	0	19062	17338	Lipid	0.25925925	1.6666666	0.037037037
26	C27 H45 O7 N1	496.32687	496.3275	-0.04290776	496.32684	19555	15558	21061	14182	29496	10762	34031	20296	18109	9985	12719	6012	19287	15330	13014	24635	20954	21490	46909	14779	11986	7606	13957	16835	21115	17742	28624	17591	27660	27565	16495	25211	31676	18915	15371	30850	25999	17243	22986	12396	9703	17264	0	0	0	12434	0	0	25419	21182	15580	17232	21569	0	48225	21443	13071	22758	17282	6923	23177	8087	19545	27470	10018	22118	24828	19965	11213	18777	10922	12042	18656	27438	12435	21468	0	12675	15765	10683	8280	9584	23637	15063	34067	21688	27465	10501	15527	14233	29848	30637	21718	7005	5585	0	17597	21725	14631	27188	27442	35658	7399	21402	14375	13492	27836	0	14515	17176	Lipid	0.25925925	1.6666666	0.037037037
26	C27 H49 O5 N3	496.3745	496.37497	-0.08966405	496.37445	0	0	0	0	0	0	0	0	0	0	0	5994	0	0	19888	0	0	0	0	0	0	0	36639	0	10971	0	0	0	0	0	0	14120	0	7233	0	6709	0	24618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7815	0	0	6784	0	0	10078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4463	0	0	0	0	0	9877	0	Lipid	0.18518518	1.8148148	0.11111111
28	C27 H49 O5 N3	496.3745	496.37482	-0.11401263	496.37445	0	0	0	0	0	0	0	0	0	0	0	1152	0	0	27616	0	0	0	0	0	0	0	52503	0	6108	0	0	0	0	0	0	6690	0	2257	0	3709	0	33319	0	0	0	0	0	0	0	4814	0	0	0	0	953	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2169	0	1538	0	0	34091	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1628	0	0	0	0	0	4702	0	Lipid	0.18518518	1.8148148	0.11111111
28	C25 H53 O8 N1	496.3844	496.38486	0.1172143	496.38446	2669	2582	3494	3231	1388	1374	0	3217	0	2573	3955	984	0	1380	0	0	0	0	0	0	0	1181	1995	1978	2176	33603	2125	5457	2006	0	1443	1145	1608	1926	3411	0	1564	1363	1713	2894	909	0	1972	1296	3207	2218	0	1508	1227	3572	3001	2474	1606	3966	0	0	1729	0	151011	1228	0	24403	1014	1434	1428	0	1677	1195	47900	8921	3592	2174	0	0	0	1313	0	2182	1850	0	1709	3223	1346	1489	0	0	1784	1491	1556	1030	12171	12114	0	956	0	1983	2515	2839	0	866	1960	2348	1602	9624	232094	0	1247	1890	1669	1398	Lipid	0.32	2.12	0.04
22	C25 H20 O9 S1	497.0901	497.0909	0.45139375	497.0903	4310	3732	3190	3623	8811	6417	0	1713	9773	8440	3479	0	19335	0	2094	0	0	6991	6185	2015	0	12806	0	1414	0	6714	0	3251	0	0	1122	0	2235	0	13815	0	2687	1659	1204	6195	7969	2171	0	0	0	9920	20934	0	0	1181	0	2955	4357	0	8594	7744	2058	1846	1431	0	0	8013	15870	7839	0	6118	6687	0	8359	8154	9546	0	0	0	0	0	0	2018	0	16155	1922	14635	0	5232	7332	3010	2113	0	3527	0	0	3542	0	0	19645	0	3642	3281	4619	6669	7259	0	1959	1312	15087	0	6087	0	0	19733	Organosulfur	0.36	0.8	0.0
16	C21 H20 O14	497.0926	497.09338	0.20099086	497.09268	36768	42916	46632	46216	106824	58012	5894	7256	113970	34578	34772	15674	194672	27592	19178	10376	3852	127260	98088	24736	42706	118154	33982	11152	0	4012	6082	7982	6284	6058	7862	7556	11648	6136	57402	2956	13398	15346	10730	22542	24530	26980	1150	0	0	74310	157020	0	5092	6046	36672	32130	61846	0	109068	90610	37864	6896	10430	12932	0	35576	208830	124242	34996	112024	37034	5306	8778	6016	12314	9886	4472	5796	6382	6088	0	14298	35508	66904	24740	99804	0	8228	102382	31698	25010	33188	37546	0	8870	12352	0	92134	53996	0	40292	28036	88814	94704	81536	16660	15136	9888	112728	0	66046	0	6924	229272	Phytochemical	0.6666667	0.95238096	0.0
22	C21 H20 O14	497.0926	497.0933	0.25814217	497.0927	4310	3732	3190	3623	8811	6417	0	1713	9773	8440	0	0	19335	0	2094	0	0	6991	6185	2015	0	8686	0	1414	0	0	0	0	0	0	1122	0	2235	0	5043	0	2687	1659	1204	3085	3231	2171	0	0	0	9920	20934	0	0	1181	0	2955	4357	0	8594	7744	2058	1846	1431	0	0	4521	15870	7839	0	6118	6687	0	0	0	0	0	0	0	0	0	0	2018	0	9145	1922	14635	0	1694	7332	3010	2113	0	3527	0	0	3542	0	0	9784	0	3642	3281	4619	6669	7259	0	1959	1312	15087	0	6087	0	0	19733	Phytochemical	0.6666667	0.95238096	0.0
12	C21 H20 O14	497.0926	497.09344	0.26015234	497.0927	39062	51054	32498	39858	65366	33674	4340	6292	100708	20436	38134	13404	107418	15868	13340	14854	11298	71210	76586	20640	42474	79832	26948	5602	0	0	2850	0	0	2042	4966	6240	13900	5828	55294	5840	14394	19724	8652	14850	34422	23532	826	0	0	36508	155448	0	6240	3028	40438	24958	44408	0	80052	80010	25942	12728	0	16838	0	19908	178648	86852	26846	93872	26844	20486	0	0	12164	6502	6474	4940	11282	5834	0	12654	32466	0	22702	55166	2708	3042	100100	26602	22448	22662	27548	18498	0	9972	12996	89846	43478	0	41442	23290	99216	120588	92606	11132	14876	11188	43960	16520	73559	0	4774	146864	Phytochemical	0.6666667	0.95238096	0.0
10	C21 H20 O14	497.0926	497.09354	0.29133534	497.0927	6516	10834	7223	8888	19601	6159	940	1565	21327	7676	8619	5152	38082	4857	3760	2868	2356	18212	17297	5135	7138	14476	4203	1407	0	0	2112	0	0	1048	0	0	3667	1805	7511	0	0	3836	3961	5010	11261	5573	0	0	0	4935	27945	0	1324	1024	8024	9287	9398	0	17522	24027	7279	0	0	3746	0	3662	44909	22534	9242	19314	6422	4903	0	0	0	1152	0	0	2935	0	0	3171	9020	9489	6433	8346	1030	0	26783	7863	7407	6831	5382	6603	0	0	2020	24041	14646	0	8585	6419	25871	36816	32148	2618	2390	0	16406	2665	22682	0	1151	32624	Phytochemical	0.6666667	0.95238096	0.0
14	C21 H20 O14	497.0926	497.0934	0.22432509	497.09268	20394	27045	20717	31454	52920	24149	5440	6045	67478	21084	18988	8821	102781	15361	8287	7609	7098	51315	48187	6593	27167	60779	17795	4987	1528	1503	6982	0	3841	2378	4185	6303	5779	2971	34320	3645	6345	14332	2625	7311	19174	13574	0	0	0	33784	84493	0	5013	2978	22007	21105	32738	0	57447	48583	25307	9201	9162	8321	0	14558	100231	56329	20068	58420	19588	5224	0	0	7519	4854	2796	1533	2759	2778	0	9030	22047	53663	21218	41899	0	1197	58629	20098	16721	20873	17190	7290	0	10305	11052	62395	31644	0	20022	18282	53026	67214	60706	11078	12275	3981	43604	11273	43695	0	3161	89572	Phytochemical	0.6666667	0.95238096	0.0
16	C20 H20 O13 N2	497.10382	497.10464	0.25722	497.10394	7882	8702	3294	0	4916	3154	2124	3720	8636	5574	0	2326	14254	0	0	0	0	0	0	0	7156	11734	3820	0	0	0	0	0	0	0	0	0	6292	0	0	0	0	1894	0	7992	15230	3998	0	0	0	8706	33314	0	0	0	7004	6066	2934	0	12106	7586	3538	4138	0	4842	0	5196	22146	9164	3928	7532	2774	3956	0	3452	0	0	0	0	0	0	0	2482	0	0	3322	17272	0	1280	5322	0	0	2744	0	0	0	4650	0	19208	7676	0	4874	4502	7948	11240	6532	0	0	0	34706	0	3640	0	0	23514	Phytochemical	0.65	1.0	0.1
12	C20 H20 O13 N2	497.10382	497.1048	0.33532307	497.10397	2704	3200	0	2469	5597	2120	0	1729	7416	2378	3039	1705	10226	1099	0	2177	1668	5628	5164	2432	4212	11663	1386	0	0	0	0	0	0	0	0	0	3332	0	4646	1828	1834	1616	1498	3429	9284	4022	0	0	0	5500	32325	0	1399	2266	3917	0	1850	0	8646	5981	4182	0	0	0	0	3270	21619	6724	2288	9354	2981	0	0	0	0	0	0	1303	1108	1669	0	1037	3455	0	1827	7253	0	0	8081	809	2468	3227	3193	0	0	0	2279	10261	3421	0	3176	0	3986	7998	7380	2731	2144	0	0	3014	6758	0	0	15880	Phytochemical	0.65	1.0	0.1
14	C20 H20 O13 N2	497.10382	497.1046	0.33780134	497.10397	3631	4554	2485	4795	4886	0	0	2086	9091	0	0	0	14077	0	0	3351	0	5743	4920	0	6803	10524	3085	0	0	0	0	0	0	1323	0	0	0	1748	2834	0	2325	1124	1261	1340	6986	2378	0	0	0	8960	29402	0	0	0	1660	4340	3323	0	5329	5187	2400	2209	0	0	0	0	16085	8326	3358	7127	2018	0	0	0	0	1759	0	0	0	0	0	1950	0	0	1666	11653	0	2062	5671	0	1402	2648	2600	4556	0	2654	2302	11716	3644	0	5026	0	2599	6135	5134	2973	1961	0	0	1989	6140	0	0	10409	Phytochemical	0.65	1.0	0.1
14	C25 H20 O11	497.10785	497.10864	0.09852491	497.10788	8515	9602	9346	8697	7591	3889	0	0	8766	45390	20516	0	10362	5633	1497	0	0	4778	11497	14707	20078	18129	3766	0	0	12311	1281	0	0	0	0	0	0	0	51976	0	0	2148	1463	5601	13560	2243	0	0	0	4633	15801	0	0	0	5834	3685	8493	0	7673	10428	3734	3726	0	0	0	6476	19208	8878	2431	8221	3430	1278	0	21659	25367	1556	0	0	0	0	0	0	8370	0	4920	9849	1306	6998	13384	3239	4417	3585	1350	0	0	0	4724	19985	18119	0	4495	7410	12015	14660	10361	0	0	2607	16319	2456	9573	0	1648	11475	Phytochemical	0.44	0.8	0.0
16	C25 H20 O11	497.10785	497.1086	0.18822603	497.10794	16590	18784	16191	15626	20987	10996	3355	3006	25088	77886	42133	2639	27220	9218	2364	4018	2663	16700	27096	32328	27304	39346	4791	2607	2596	30324	1937	15105	1995	2047	2210	0	7028	2187	100350	1661	4117	5241	3661	19734	20701	3773	436	0	0	17762	33426	0	4061	0	9733	15546	16176	0	18842	18858	8894	3469	4162	4426	0	13923	41119	15810	7754	22968	7861	1899	35151	41892	59279	2534	0	0	2032	0	0	1838	13413	28474	14067	18192	3884	12498	22848	11542	17217	6297	7861	0	3682	7897	0	48196	44252	0	11629	9632	25151	23402	19062	2084	1912	3883	21684	0	21132	0	4479	27319	Phytochemical	0.44	0.8	0.0
20	C25 H20 O11	497.10785	497.1085	0.09788114	497.10788	28549	30505	27400	25963	39737	18759	6755	2483	47166	107023	62027	2115	62983	27574	8682	5976	2207	42365	43657	65115	70464	69839	10843	3325	7541	51686	4232	36199	2153	1578	3428	1784	8715	0	134003	0	5214	8089	1909	42536	30696	8527	1051	0	0	42088	58733	562	2249	2861	26111	31989	20890	0	40474	33044	19916	3623	6902	5356	5700	31074	68169	42666	13980	44675	15530	2663	48657	57716	75441	2368	1419	0	0	2288	0	5675	19136	44224	20955	31690	8886	40088	48949	24793	21698	9500	12067	3956	13392	13325	11566	67309	76637	0	33207	26120	37172	42114	37999	6564	3839	7659	38671	3516	39633	0	9493	53597	Phytochemical	0.44	0.8	0.0
24	C25 H20 O11	497.10785	497.10846	0.10693462	497.10788	11715	12578	12560	11653	18730	12075	3240	2267	18669	49014	14462	1343	33087	8402	4318	2852	1439	27483	27334	17944	26525	36528	5435	3214	2491	19416	2076	5875	0	0	1316	1495	3276	1213	52974	0	4133	3548	0	11927	14181	2463	0	0	0	15793	19942	0	2622	0	11015	11979	13979	0	26076	19476	7471	1325	3939	1491	2298	8958	38432	19037	7358	13463	5613	1755	23930	26298	32241	1349	0	0	0	0	0	1364	14363	19852	11093	11622	2747	11164	26965	9811	11825	4965	3845	2913	6440	5049	2450	30352	45763	0	11800	9179	18342	28735	25578	2240	2092	3157	14936	1767	17487	0	2946	35935	Phytochemical	0.44	0.8	0.0
18	C25 H20 O11	497.10785	497.10852	0.080618456	497.10788	33681	28771	23127	24916	33332	15163	1393	3188	37491	123271	62286	4105	46810	18027	10092	6705	1958	38272	42830	56237	56488	67761	11229	8633	7712	45524	3990	34554	0	1360	2409	0	8438	0	134305	0	9163	6134	2879	30990	33447	6136	875	0	0	35995	40100	0	3775	1588	26286	24583	20736	0	41321	29184	13494	6974	6510	4450	7234	26395	63765	36171	15018	36908	11087	3433	44807	66774	62432	2448	0	0	3495	0	0	3993	22967	44655	16791	47975	3964	19328	43777	25944	21226	8927	11352	4549	10429	17502	12448	65144	89359	0	15366	18288	42846	45534	39455	7306	2796	8034	25448	3993	31281	0	9005	43926	Phytochemical	0.44	0.8	0.0
22	C25 H20 O11	497.10785	497.10852	0.12814061	497.1079	15931	22717	19765	23788	36380	17306	2290	0	38989	72571	36200	3128	32536	11697	8350	2993	1448	42955	29163	45963	39649	51996	7728	4364	8619	41799	2532	21231	3604	3080	2569	0	5572	0	96285	2586	5232	8017	1612	24205	16045	6642	0	0	0	28346	36163	0	4842	1205	20815	18676	18883	0	32690	31321	13160	8138	7464	4881	5605	19524	57249	28571	12699	32803	10038	3282	28133	43056	50433	0	0	0	1303	1350	336	2645	17768	33203	14745	25914	3669	22642	40168	20454	12423	6817	11269	5428	13622	12802	5594	50610	71338	0	19763	19707	34920	30761	32102	2735	3841	5710	22949	5075	25753	0	6673	52116	Phytochemical	0.44	0.8	0.0
26	C25 H20 O11	497.10785	497.10852	0.05738777	497.10788	7454	6328	6728	7073	11119	8031	0	0	18504	27002	6808	0	24332	7516	0	0	0	17714	15032	13583	11446	22698	0	0	0	10464	1942	3003	0	0	0	0	0	0	31548	0	2047	0	0	8991	6101	0	0	0	0	7076	9974	0	0	0	11421	6907	6693	0	17564	9692	5205	2431	0	0	4727	5149	24562	15540	3457	13900	2530	0	10477	18514	21880	0	0	0	0	0	0	0	11734	12469	8450	7242	0	6163	19302	0	6251	3459	2946	0	0	4600	0	22890	40639	0	9765	8693	10215	16570	11698	0	0	0	0	1864	9341	0	0	18965	Phytochemical	0.44	0.8	0.0
28	C25 H20 O11	497.10785	497.10846	0.13412166	497.1079	5618	4334	4141	5204	8241	4553	1346	0	11385	16774	5403	0	15469	4563	2474	0	0	12539	9386	5525	9155	12138	0	0	0	7932	1678	4283	0	0	0	0	1189	0	21266	0	1656	2445	0	3134	4298	0	0	0	0	5573	5396	0	0	0	4813	5959	6337	0	12866	10244	2061	0	1522	0	2861	2328	16538	8481	3277	8196	2621	0	8318	13458	12883	0	0	0	0	0	0	1417	6308	9549	5259	3887	1495	1765	13915	5891	5968	1784	3062	1644	1901	3070	0	14274	22806	0	4678	3411	8810	11740	11269	0	0	0	4081	1557	7184	0	1664	14728	Phytochemical	0.44	0.8	0.0
14	C22 H24 O13	497.12897	497.12976	0.14095312	497.12903	111248	123782	102558	107357	109082	91912	53645	73920	150408	190660	121786	51853	183690	52058	71539	55999	37277	144831	147228	166417	168725	258940	90303	71673	38786	28277	35982	62255	46393	49714	65060	68907	87667	48779	257204	61036	81948	71846	40852	118831	128909	61652	0	0	0	498042	377166	0	63834	60136	114475	99298	86069	0	166639	87045	55721	80710	96095	52999	47449	216310	387432	135987	51329	132619	72375	44985	47819	67822	69460	63173	54702	60829	39411	56876	0	61573	79281	144159	70828	474120	34850	48466	99358	66074	60146	63505	72589	38855	42014	79642	84676	195273	150500	496	125145	115317	111175	93386	75514	69430	58913	80621	388315	60941	91700	0	42718	181834	Phytochemical	0.59090906	1.0909091	0.0
16	C22 H24 O13	497.12897	497.12973	0.13866135	497.12903	215910	200658	205188	213064	221606	205992	79544	131476	329806	360126	144518	100390	414718	105698	167578	109136	68984	359376	343834	305686	291596	433184	164680	132952	88524	55786	62154	92682	120490	85306	145648	121640	193028	95046	523722	108088	160738	118360	71118	253792	184414	90760	5030	0	0	1152796	1233020	0	147042	122324	222724	194900	168930	0	359640	182848	96914	131654	186370	62106	108034	217830	406810	252836	94562	249500	160034	74797	106834	138748	151280	126438	107524	113650	69936	122122	0	126404	163304	237612	131794	1061224	81294	119736	194112	132870	125914	93758	120424	47936	82560	179952	159582	318160	340516	1138	223490	201604	229482	152802	148810	116672	94986	115420	583696	151892	178462	0	69862	434840	Phytochemical	0.59090906	1.0909091	0.0
18	C22 H24 O13	497.12897	497.1297	0.1175134	497.12903	89353	75710	77502	73206	79473	75418	23810	46949	101129	125362	53173	28040	164040	43098	53847	32894	12837	124839	128642	108812	116201	140088	45189	38550	27510	20595	16288	34139	42661	29346	42039	37550	54466	39034	142179	29875	47676	40779	15861	102708	61172	32576	1785	0	0	205560	212256	0	39671	31324	76191	68168	68232	0	134487	62207	43507	43553	56467	21605	36305	83640	138078	94050	35150	84947	53761	19330	35939	47385	53806	49693	36897	27708	21193	41780	277	37820	45264	73001	47693	206349	23075	42484	74387	53459	44807	30415	47639	13993	26993	53837	59519	98858	99503	548	73649	62650	85170	48723	45065	31927	35974	43628	172519	34896	64776	0	23640	158499	Phytochemical	0.59090906	1.0909091	0.0
12	C21 H24 O12 N2	497.1402	497.14102	0.13144575	497.14026	47907	45200	50099	46233	27590	20219	25014	50169	41770	45489	20203	34533	46852	10226	32389	33685	46815	48041	52480	50680	74327	96338	42017	44704	20939	2713	22612	13598	34501	34495	37129	28758	42732	33637	65584	33922	42613	28628	42205	62519	73025	24417	0	0	0	85379	120282	0	37189	41449	47558	48930	27288	0	57317	27491	19065	31768	54792	38481	36792	64864	64542	48579	18296	41991	30345	55489	0	14157	17093	41154	38484	34136	31716	30137	0	36721	31072	37272	30445	59256	19769	15212	28987	21806	30608	22073	29676	64027	20114	37510	51706	78014	48135	0	39877	53943	29259	23623	24640	51794	32607	39821	134331	42007	26036	0	19233	69129	Phytochemical	0.5714286	1.1428572	0.0952381
16	C21 H24 O12 N2	497.1402	497.141	0.20956309	497.14032	18716	20183	16145	23038	14117	12759	14015	26110	20562	20968	10181	17732	35478	5775	24528	14426	12500	25091	26759	21204	32235	36837	21402	18073	10259	0	11484	3853	16224	14364	19877	18293	29615	17758	32350	17079	27181	14684	17072	26512	23052	9946	425	0	0	43384	56022	0	22881	17641	19267	22322	15223	0	28290	11476	9592	17646	25638	12719	18899	26268	25173	22990	10689	25396	14612	11609	7541	8332	4918	21589	16585	18624	14809	18185	0	14857	17952	15644	16553	40878	10481	12478	16934	12981	13142	12798	17621	0	8776	22940	36897	27444	24213	0	20527	26091	13161	9467	13082	20914	16067	19073	42291	22982	13229	0	12674	35897	Phytochemical	0.5714286	1.1428572	0.0952381
14	C21 H24 O12 N2	497.1402	497.141	0.15903057	497.1403	40833	35071	37069	44427	24304	18424	21852	36566	35361	32189	14631	26970	46790	8893	32634	23733	27335	40514	40797	42787	53017	82556	35837	32449	17969	2192	15712	11203	24948	30672	29070	29945	38080	24664	59312	27740	34588	28828	28709	44528	47754	17740	0	0	0	81804	104514	0	27960	30655	32441	32794	23582	0	46181	21816	16701	26251	52692	25770	25162	52314	50119	40713	15460	29304	28965	24905	0	11314	7673	27115	31184	27987	19661	27181	0	30742	24510	34721	28855	53456	17121	14793	25121	18793	25188	24892	30290	32893	14094	34136	53741	41298	40808	0	47230	41318	19262	20720	16926	47590	27361	31670	97779	38748	22196	0	19001	50147	Phytochemical	0.5714286	1.1428572	0.0952381
8	C21 H24 O12 N2	497.1402	497.1411	0.15564327	497.1403	22371	26529	17526	24130	13554	8594	8189	16375	20099	27341	12778	17119	26307	3930	9906	17261	18936	17253	19829	21787	30361	39208	15014	19148	2909	768	7421	2723	13091	13066	13393	17301	17922	13141	24853	14246	16125	11190	24338	25096	37831	12935	0	0	0	24945	61130	0	13540	17631	20695	21504	9223	0	23324	16113	11149	11556	10009	20866	25723	16431	36222	20878	8732	18341	12131	26127	4416	2570	5493	19096	16683	13717	15722	12830	0	9967	13160	13277	11891	17776	5580	6236	15912	10842	10417	13377	12772	27604	0	13455	29024	23281	25481	0	22632	17582	13129	18220	17169	19216	12929	22706	27819	18919	11947	0	7072	33204	Phytochemical	0.5714286	1.1428572	0.0952381
26	C26 H24 O10	497.14423	497.14487	0.088986084	497.14426	13974	11042	13094	8585	22147	9273	1552	0	27171	39263	15208	0	25391	6191	0	0	0	17904	18847	25533	26551	22774	6010	0	0	27211	2094	12476	0	0	0	0	2524	0	47510	0	2053	3359	0	16657	12640	0	0	0	0	17181	16532	0	0	0	11631	8858	11416	0	18020	14574	6391	2326	3136	0	0	9962	31288	15448	6107	17893	6049	0	30345	45923	59077	0	0	0	0	0	0	0	10927	15419	9812	9234	3557	12085	28560	10672	10760	5577	3979	0	2947	4048	0	19920	30094	0	13048	8892	14346	20672	19622	0	0	0	0	1759	15038	0	4018	25187	Phytochemical	0.3846154	0.9230769	0.0
22	C26 H24 O10	497.14423	497.1449	0.119710885	497.1443	47599	44285	29657	33418	55152	27955	5671	11716	65097	172354	95730	9075	56476	35330	13459	8035	6797	64519	60321	98762	99368	66499	22908	12272	14360	137398	11090	65986	5987	6343	8518	5553	18566	8501	191157	3799	14999	14157	7550	58866	54854	13616	0	0	0	62326	65216	0	8503	6868	38639	43664	42278	0	49440	48076	20968	10005	15681	9605	17575	44763	80671	35667	22783	58009	25003	6667	115112	169645	162401	7229	4741	2171	3840	5026	0	9669	33720	48626	28937	52791	8064	44474	69643	33374	33829	16032	18478	11810	17111	24915	20375	72480	95992	0	43223	41504	54351	48932	44724	10020	7451	16983	49811	11387	45025	0	13350	76432	Phytochemical	0.3846154	0.9230769	0.0
20	C26 H24 O10	497.14423	497.1449	0.0913963	497.14426	57629	63649	61064	52582	67084	34359	14882	16447	75881	231853	127777	10830	91369	41096	18541	19076	12196	71655	77805	136499	134471	92637	25717	18431	16850	179355	14335	88743	12955	8185	9972	11407	28898	11165	252242	10085	24855	21118	14409	92275	83953	20873	1715	0	0	78647	81443	0	13464	11859	54672	64468	41927	0	58601	53543	31043	18749	22703	15234	12714	57957	98516	51278	21867	62599	33825	12877	140199	203054	219927	12304	11389	5429	10873	8278	0	10521	45507	62630	33121	59218	17299	83432	79230	36173	40646	25054	24351	15559	41915	41901	27827	81440	109542	0	56607	55793	69160	60749	58702	17258	13230	24779	52967	21341	58015	0	19828	80405	Phytochemical	0.3846154	0.9230769	0.0
28	C26 H24 O10	497.14423	497.1449	0.11786525	497.1443	4989	5899	4851	5825	9083	5541	1116	0	12850	18352	7987	1137	17188	6012	0	0	0	8102	10897	10180	10777	8691	3245	2258	0	20128	1250	5242	0	0	1900	0	1995	0	22092	0	1939	2452	0	7863	7500	2426	0	0	0	6138	6964	0	0	0	6984	4990	6890	0	11063	8154	2625	2235	1270	0	0	4229	14278	8057	3194	12044	2793	1156	21345	26574	26948	1451	0	0	0	0	0	1559	7520	6337	4978	4445	0	4828	14039	5140	5932	2097	2972	2159	1266	3014	2819	11642	13935	0	5837	5565	7525	12115	12422	2893	0	2243	3241	1551	5830	0	1877	13538	Phytochemical	0.3846154	0.9230769	0.0
24	C26 H24 O10	497.14423	497.14484	0.061545547	497.14426	18398	24612	22952	26380	30876	18261	2893	3346	38679	82477	51278	3864	40317	16542	8276	3034	3077	32840	29561	46833	60132	40153	12819	9048	8472	70546	3267	33831	0	0	1701	1962	3626	2218	99719	2257	7488	9698	3027	27233	29972	6222	0	0	0	28941	35034	0	1915	4234	25072	18003	17986	0	34074	27827	12407	7250	5226	3204	6041	23664	47746	30519	10601	31513	13815	4468	67802	95339	88790	3085	1892	0	1872	3179	0	4798	20029	23809	19134	25999	4615	25875	39712	18635	14868	8053	9505	6000	7830	10573	7957	46237	51104	0	21288	21574	34187	32842	34786	5779	4216	6530	21705	6636	31210	0	6522	43406	Phytochemical	0.3846154	0.9230769	0.0
14	C26 H24 O10	497.14423	497.14502	0.20448515	497.14432	12220	11407	10660	8710	9636	3522	3879	4218	9504	38215	30972	1773	9863	7058	3802	9340	4754	5932	10125	24549	22078	13404	6879	6104	5200	30431	4740	11541	1795	2072	2900	7606	5334	4216	44191	0	2940	4673	4141	14571	16083	3850	0	0	0	13865	11211	0	4933	3703	15593	9615	6696	0	6414	6637	4266	4671	0	0	0	7289	12857	5832	4854	8434	4712	3862	29608	38806	36140	2563	4023	3517	4692	4237	0	3719	10081	0	8610	11797	5794	12314	11025	4515	8876	4620	3392	7936	6795	7371	6241	12449	14787	0	10939	12939	11839	11408	10452	5191	3262	3960	0	4379	5879	0	4852	6912	Phytochemical	0.3846154	0.9230769	0.0
18	C26 H24 O10	497.14423	497.14496	0.14481977	497.1443	57083	46048	43988	46794	50880	26467	15717	17704	46394	183646	117345	10177	62798	33304	16364	19229	8871	52986	58013	125000	120640	68521	17988	13249	12703	144145	12901	90906	15990	9550	13112	11617	22141	10925	223585	11802	24107	18339	10834	80644	66740	19145	1149	0	0	60205	63543	0	13891	14181	57479	45841	38439	0	47695	42400	21122	25457	20825	13476	18207	45425	73830	34554	20122	47444	29808	12372	119492	160324	192548	13424	6553	6874	5007	12946	0	8089	34381	45315	30806	57086	15159	58712	54462	38298	32632	17805	23866	17932	35853	33562	19849	75379	81317	0	49277	37830	47818	44489	46731	14807	9528	17861	36211	14131	42769	0	12597	66629	Phytochemical	0.3846154	0.9230769	0.0
16	C26 H24 O10	497.14423	497.14502	0.14566304	497.1443	28283	29550	21930	30167	28984	9311	7128	5246	30120	95007	57356	8191	24788	19250	9734	10791	6031	21830	30735	48968	62386	29070	11241	13611	8746	81043	6793	38127	7799	6802	7499	7840	13381	6739	114761	7519	13431	10983	9606	37215	35812	8599	0	0	0	33531	33725	0	14336	6117	26894	26339	16548	0	21730	21354	12803	10743	11140	9450	10998	24058	32191	18544	12498	22072	14393	9081	78103	88772	108818	9527	9799	6969	5927	9060	0	9013	22433	31229	16908	33413	10428	33167	28070	17542	19578	11580	13324	0	15189	17497	0	31551	40540	0	22074	21638	26316	23208	28199	10653	7101	12475	25575	14624	25286	0	14767	35501	Phytochemical	0.3846154	0.9230769	0.0
22	C23 H28 O10 S1	497.14758	497.14844	0.43340185	497.1478	15132	6088	7075	10288	10882	11990	2519	3609	6191	62206	5339	3794	11600	0	4832	4552	3979	6724	10241	32520	30616	34222	3596	5554	12144	7098	2793	4660	15740	2164	3112	0	4533	8990	57380	9362	20246	3842	3819	35098	10103	2875	0	0	0	47492	56448	0	4234	4095	16402	21690	6687	0	21864	6583	4311	4288	14626	0	13872	10327	6151	9472	0	12274	4640	4296	7147	18107	7463	2707	3949	3532	2152	9566	0	3800	4575	19362	3267	30552	13838	8297	5301	6767	3437	3659	5299	4141	26612	17805	21848	19338	13881	0	6616	16410	10696	4341	0	5068	3739	9001	37378	5438	6045	0	10452	15255	Organosulfur	0.4347826	1.2173913	0.0
22	C27 H28 O7 S1	497.16284	497.16437	-0.15532352	497.16278	42468	37546	34896	30862	32028	27981	18992	42864	37284	89715	35317	17458	48737	15924	31273	25840	15861	55959	39811	82784	80932	44104	30944	34757	33337	49755	11310	18866	29130	23047	34268	22805	36524	26391	70907	26797	46502	33778	14689	50306	43047	15820	0	0	0	95939	64537	0	30383	31877	41271	36817	30530	488	51325	24630	18947	27373	33220	10536	25181	42969	53014	44016	14528	30009	24091	17946	72286	88946	82708	40696	25463	33826	11796	22923	441	29744	29704	21679	32286	65941	23574	26891	33057	26658	23359	19103	23940	14098	28018	53625	38361	35727	36519	0	40481	30279	30893	23027	14135	31930	17547	35658	65402	27504	28352	0	18984	75969	Organosulfur	0.25925925	1.037037	0.0
20	C23 H28 O12	497.16534	497.16605	0.088606834	497.1654	110371	117919	101776	88367	90856	96760	55886	111357	121817	240833	73763	48415	168747	49193	97669	69744	39404	143493	140411	224920	179658	163267	81096	108290	96632	72733	44503	60207	101833	81250	91470	87201	87365	82151	268099	80217	121085	70764	39080	160794	58268	50022	2909	0	326	250563	155814	0	96169	79976	111014	108514	82190	687	167018	76624	46722	81585	112953	32193	69329	93702	144605	120332	36986	104174	78884	33510	59412	161735	69704	100545	89159	97106	37501	90284	0	78036	83608	59206	73607	146270	68621	105070	78526	55021	60907	40138	66037	28314	77960	108039	112932	82762	107754	943	117066	101374	90713	49521	56303	84619	58117	105707	166025	73219	69446	0	58249	181311	Phytochemical	0.5217391	1.2173913	0.0
10	C22 H28 O11 N2	497.17657	497.17737	0.061859276	497.1766	56618	57515	52433	53548	22345	26723	39391	72411	30358	69002	31736	43582	46241	8925	45450	54065	45877	42162	48466	72235	63363	99482	44718	68666	32709	6057	34197	21943	57070	49213	53268	58290	73069	51426	102593	56804	69084	41096	53888	73939	57990	26125	0	0	0	75660	61654	0	63927	55561	56858	57551	26880	0	50201	20387	18314	64770	67913	41142	50908	45694	46305	43026	16351	40382	32343	54209	11199	20839	19834	62683	51488	49614	35950	54547	0	36975	43834	31367	37364	44447	38407	26139	29287	22497	38960	28786	33796	59555	49648	68898	92331	52628	61223	0	51746	60181	24219	23161	24336	61954	35920	71896	68032	56700	22293	0	40424	49036	Phytochemical	0.5	1.2727273	0.09090909
6	C22 H28 O11 N2	497.17657	497.17752	0.11457155	497.17664	13311	17474	13405	12587	8963	5655	7570	16102	11064	16241	9269	9791	20221	5092	9135	17003	15879	13677	16608	11791	17817	31016	10560	19457	5212	1152	7039	3484	10421	10006	11582	12563	15900	13557	23536	10681	17603	8741	17278	12467	20810	8184	0	0	0	17273	20690	0	17532	12225	18591	15189	8844	0	17031	12305	7660	16829	10736	15889	16556	8960	21863	11536	4489	15284	9748	15256	2650	2974	5928	12507	9606	10520	7148	9352	0	8645	10980	7660	6941	8302	5177	5362	16536	7706	8316	8140	10688	21654	5996	15711	22035	12981	17587	0	13187	14279	9337	23330	28522	13751	7790	17713	12312	17044	9793	0	7249	21803	Phytochemical	0.5	1.2727273	0.09090909
12	C22 H28 O11 N2	497.17657	497.17737	0.07372602	497.17664	73807	75415	77679	74823	30539	37215	62568	104001	39384	101003	45526	50154	53011	14033	69194	72120	55804	55675	68483	111409	79919	159444	76072	93404	61717	10423	40772	23548	91546	67860	82697	70752	99162	68331	141639	76764	89734	67214	55196	110000	88065	40743	661	0	0	119434	77776	0	85544	84807	79521	75462	42807	0	85346	29226	28380	83341	112503	55234	78817	83549	62269	46566	21543	49432	40299	55723	17978	30947	21905	84262	70448	72001	40838	71897	0	66484	52820	49432	50370	59376	52259	46507	29401	32405	49573	32046	50835	92084	72316	106253	132454	61723	62665	0	71298	87329	29025	27670	27498	82089	56234	89802	66839	75498	31948	0	51367	70690	Phytochemical	0.5	1.2727273	0.09090909
18	C22 H28 O11 N2	497.17657	497.17737	0.23276137	497.1767	21164	24491	25352	19125	12334	10322	17501	24327	10703	20988	8897	11067	20787	5350	23153	23385	9605	17745	23267	22324	14485	33662	23812	30115	22147	2176	12097	8502	24382	23874	25877	22245	26722	24197	27503	24713	32260	18381	12035	27016	8003	13092	0	0	0	28038	12395	0	29387	20504	15390	22740	14029	0	24144	10620	8929	24196	27440	6697	27142	20663	15870	14904	4544	14698	14974	14133	5440	8310	6133	23792	24062	25059	12498	22402	0	17530	15451	9190	12012	14455	18336	13917	9688	15917	13510	13336	15096	14399	24926	33302	56883	12076	19571	0	18186	22062	11135	9882	7467	25273	16449	29372	16030	28218	6345	0	16912	18425	Phytochemical	0.5	1.2727273	0.09090909
16	C22 H28 O11 N2	497.17657	497.1773	0.06586331	497.1766	43180	47151	47883	44013	24035	31866	33241	68247	30781	64951	18693	27259	35141	11542	61240	50299	21203	62224	58331	62475	48644	74502	57193	63189	54221	6938	30571	15089	62414	0	61485	63737	70417	43880	78214	59755	73565	46674	32700	66325	23674	29267	402	0	0	66823	31721	0	67048	50274	46860	49820	32553	0	57518	21898	21212	57617	92085	19047	69712	41673	41213	31995	17838	30009	35784	26354	7965	18278	17061	59334	53093	63689	22444	46207	0	40010	36800	18227	31691	46754	40010	24466	19431	22551	31498	23751	30199	30104	55290	83661	82166	26668	42149	0	43192	44558	16651	13001	15417	59003	38446	60829	45184	61547	15624	0	37278	52645	Phytochemical	0.5	1.2727273	0.09090909
16	C27 H28 O9	497.1806	497.18134	0.090419225	497.18066	36069	38017	31644	27552	26427	18076	22850	21680	33339	71455	51470	16012	21370	22342	17681	26947	20823	25134	36854	63530	59996	38333	24900	28804	18028	98550	17931	44153	18698	19178	24820	18326	25853	17046	78512	15132	22518	22124	26926	38817	53308	15403	697	0	0	28545	41678	0	26508	30440	34616	33409	22071	0	30330	21933	15094	31305	18718	24530	14419	29562	28516	25406	14823	21457	23930	26183	80766	107131	121469	20085	18067	12827	26748	21958	0	16736	40309	24471	31488	29510	23280	39647	37151	15443	32969	14278	17780	41370	22000	17943	0	24483	32409	0	39891	33928	36480	25703	24599	22110	13833	26325	27038	22649	25968	0	23379	26985	Phytochemical	0.33333334	1.037037	0.0
18	C27 H28 O9	497.1806	497.1813	0.07970967	497.18063	69144	80536	73060	67899	69587	41823	30356	48488	65912	172367	129133	33826	80384	41761	40295	51589	34984	63580	79353	163776	142718	75771	46628	52585	33776	230349	32331	104288	41527	33622	37745	46702	50399	40924	172331	30477	44014	44392	33471	93578	104252	34572	1665	0	0	74099	76170	0	48034	34407	73112	86337	44262	0	66293	60401	43208	51604	34490	35759	49000	66122	79920	56330	30636	65887	47207	48927	180283	243799	296046	38355	33820	33528	35913	48784	0	32951	78608	54709	63158	60275	33920	80783	71624	42707	74134	34400	38285	60124	51251	49611	53741	56430	82126	0	68889	67582	70064	75816	64724	41218	31389	51531	44930	40544	56443	0	42999	67661	Phytochemical	0.33333334	1.037037	0.0
26	C27 H28 O9	497.1806	497.18127	0.07172982	497.18063	26700	24997	26697	19805	37241	16954	3984	7770	35755	56139	43502	5334	46729	13327	11425	13847	6905	39922	31550	46181	58997	25241	11554	11382	7212	88275	2649	36821	7101	0	8280	0	6567	5751	68352	6410	10559	8375	5978	36684	35611	7330	0	0	0	21498	25263	0	7052	0	22673	24114	19038	0	33062	33421	13879	7225	10001	4962	10227	22855	39647	24353	9225	38061	12152	8434	98008	110682	127853	6128	4317	0	0	5419	0	6896	24664	21446	15050	13343	8052	28772	44266	12103	19993	10315	10503	9305	11022	14400	10738	26560	34963	0	17307	24774	25197	37339	38145	10583	4150	11873	14773	8244	19870	0	5589	39824	Phytochemical	0.33333334	1.037037	0.0
28	C27 H28 O9	497.1806	497.18124	0.12259184	497.18066	9194	8481	9382	6178	13208	4140	1351	2778	14872	24248	17093	1557	23999	6440	6258	5232	2536	14062	18062	16241	20720	9902	6931	6132	0	35819	2911	16315	3283	0	2411	3038	3081	3292	24072	0	3103	2648	2479	10744	14742	3583	0	0	0	7041	8563	0	2687	2903	10421	7160	5538	0	14018	11476	4697	5456	3510	2207	3435	7258	13951	8189	3839	17758	4716	3692	37329	42650	60323	2163	0	0	0	1276	0	1891	10849	8822	7205	4837	3228	10682	18924	6916	8318	4767	4909	2418	4545	5467	6115	10981	11823	0	8653	7626	10162	15097	17443	3408	2027	3311	4815	3956	7130	0	4324	15775	Phytochemical	0.33333334	1.037037	0.0
24	C27 H28 O9	497.1806	497.18124	0.076726794	497.18063	58042	57696	53772	51122	63497	36937	14008	26811	66476	145660	98198	14979	106017	45424	21786	27783	14899	67295	75505	123108	116338	54237	32387	29506	25566	204631	12044	87505	16749	12466	22513	14703	25254	17517	178711	14201	30651	19130	15370	89233	84938	17836	0	0	0	59908	60694	0	19716	17628	48690	54915	45116	0	70029	58865	28405	24373	22372	18398	33114	56887	89348	60928	24995	73964	32831	14714	176074	230423	260201	17072	17627	11071	11619	14901	0	16203	52485	41144	39085	48212	17740	70626	88934	37594	44941	25541	29841	22790	25521	33207	36670	53689	69801	0	59412	50537	55982	67683	74886	20795	14681	26441	40825	23218	52959	0	22419	88469	Phytochemical	0.33333334	1.037037	0.0
10	C21 H28 O10 N4	497.1878	497.1887	0.17758158	497.1879	6856	5611	6240	5006	0	2360	6199	5503	2463	0	0	3438	3228	0	7907	6193	4008	4379	6334	0	0	9078	7548	9753	7252	0	4537	0	6565	9114	9573	7601	10204	7376	2607	5371	8868	6082	6344	3909	0	2866	0	0	0	0	0	0	3784	6969	5821	6138	0	0	5617	0	1555	9020	8100	3797	0	3300	0	2954	2094	2960	4901	5367	0	0	0	7446	5222	4928	4479	6988	0	4512	5643	5966	3501	0	4107	0	2383	2814	4156	3684	3342	9655	8516	15889	22216	2681	0	0	4117	7222	0	0	0	5600	3321	7413	0	9072	2197	0	7159	3806	Peptide	0.47619048	1.3333334	0.1904762
6	C21 H28 O10 N4	497.1878	497.18866	0.1055595	497.18787	7009	5643	5467	7866	1960	1065	3359	5624	2990	0	2789	2869	4396	0	5178	10318	5438	3529	4010	1646	2206	7945	4530	9537	2188	0	4695	6352	5236	5325	4304	4774	9302	4683	3797	6251	6481	4462	5919	3566	3396	3384	0	0	0	3741	2538	0	5845	3530	5526	6226	3100	0	4371	1596	1912	8980	3785	2299	7742	3327	5249	3917	898	3025	3337	6397	0	0	0	4401	4771	4173	2142	3435	0	4570	3624	15286	3314	1687	2023	0	2186	1625	5353	3926	4415	12613	44676	19535	14543	6888	5557	0	3417	6312	1353	2896	1404	6443	3633	4907	0	7512	0	0	4797	5770	Peptide	0.47619048	1.3333334	0.1904762
8	C21 H28 O10 N4	497.1878	497.1887	0.16246016	497.1879	7851	10303	9180	9490	3300	4648	6148	10402	4825	9193	6189	7972	7185	0	6427	11847	8113	6198	9162	6687	16237	16151	8148	14427	6852	1479	5732	3114	8992	7628	10678	10251	10557	11411	21351	10323	9694	6427	8816	7746	6223	5270	0	0	0	5465	5642	0	9748	7824	9494	9545	2842	0	8704	1777	3371	12719	8540	5194	9628	4913	5210	4151	1957	5120	5552	11485	0	1236	2475	8889	6372	8186	6201	6712	0	5954	9312	14311	4643	4614	5887	0	2393	5660	5091	5381	5488	17025	33777	16418	19676	3494	3950	0	8540	11489	1103	1433	0	13489	6141	10915	0	9663	0	0	4685	7953	Peptide	0.47619048	1.3333334	0.1904762
14	C24 H32 O11	497.20175	497.2025	0.07653671	497.20178	110692	211384	100785	194438	55733	44421	89964	135176	76280	174550	103112	74838	74205	30053	94178	112746	85542	63892	89197	152603	250924	112436	189016	260664	80749	76463	149216	79842	189390	226962	199678	145807	224718	165818	333876	234340	191822	178302	93093	96352	92161	51072	0	0	0	227400	96778	0	117841	231568	179488	213390	52995	0	172154	51662	82244	254116	128700	89807	127347	163682	67495	79470	40756	56540	92632	89849	68015	105566	85606	199740	194258	239624	89179	214076	0	155186	202172	53576	171202	150002	188380	153452	59302	44858	91865	44266	132868	107749	91748	103079	130295	73546	83327	0	116831	107263	56234	56533	59341	214922	147892	289210	84814	191370	55299	0	158172	70932	Lipid	0.45833334	1.3333334	0.0
18	C24 H32 O11	497.20175	497.20242	0.062245242	497.20178	334333	297157	297975	273807	188076	186303	177488	359388	225225	651184	238278	147166	302324	102036	314585	233938	122372	297860	318706	555713	403357	342050	267528	304166	279720	166922	141333	226032	362386	285651	337737	329147	339238	279021	756674	312154	353129	235774	132155	392804	147758	159770	4477	634	478	347352	167069	0	322685	267540	286765	291786	188408	576	407698	175460	120345	307017	343030	107142	269990	253199	303432	261471	110561	226705	185442	147111	158927	375953	205654	323452	266273	346895	156695	300846	0	237237	241709	139853	221222	205335	222862	189727	163752	157670	200138	123423	177057	145115	282048	377139	347339	159166	261121	1827	297587	276062	176667	129225	137157	284486	183570	331434	171503	253306	145235	679	193905	299211	Lipid	0.45833334	1.3333334	0.0
12	C23 H32 O10 N2	497.21298	497.2137	0.054995198	497.213	19816	23794	21023	29279	9593	11086	33426	42906	9826	30516	9381	17786	13037	3444	34731	31275	19549	15827	19465	42153	25907	40419	23839	41177	27129	5590	15427	11272	38703	23956	33944	26385	37313	29645	46451	33342	29886	24499	26476	38087	15688	12856	0	0	0	33510	11062	0	30321	26176	26374	24444	13610	0	21893	10016	11574	25937	37538	11454	30430	22783	15454	13354	7425	15202	17966	18292	0	9770	5641	29594	29179	31399	11593	21294	0	26045	19057	0	20284	17065	23553	14908	6206	12118	23051	11062	17229	31181	42105	48730	56151	17511	21930	0	26836	26524	5497	7511	10573	25651	18577	34116	0	33313	7130	0	21958	17786	Lipid	0.4347826	1.3913044	0.08695652
8	C23 H32 O10 N2	497.21298	497.21384	0.08341354	497.213	17841	16170	11288	18109	8974	9171	12502	22557	9931	21234	5766	10263	11147	3552	14675	22698	8829	10001	15388	24701	19519	30897	13664	25064	15453	1115	7061	7021	17884	15827	15378	22256	25095	15836	35070	20257	27423	10941	11028	18773	10388	8468	0	0	0	20529	11684	0	17995	14297	16262	16445	8093	0	15518	6002	6293	19368	14723	9065	17511	10525	12833	12690	4284	11840	9966	14340	0	4541	6646	20003	13826	18682	8682	15979	0	11823	11759	6535	9473	7583	9204	8152	6516	7193	11288	7414	9511	19541	24881	31035	36404	15331	14806	0	17143	17469	4978	7326	4547	19902	8572	33431	0	19728	5498	0	14112	11607	Lipid	0.4347826	1.3913044	0.08695652
10	C23 H32 O10 N2	497.21298	497.21378	0.07218426	497.213	22273	25624	18761	22400	12900	13031	13495	31737	11827	29933	11241	15238	17977	6219	24623	17634	15845	13993	17743	28984	22762	39360	18706	30737	19358	2014	13719	7407	27965	21719	23005	27377	28806	21119	35655	25107	33683	19515	14915	24015	15216	11552	0	0	0	25778	13296	0	28998	21353	22000	18731	11956	0	22771	6163	6790	30622	26161	15044	25975	15873	11029	14640	4963	15895	15143	17747	0	6644	5173	27026	20481	25927	12817	21682	0	14420	16257	11906	13414	12107	18023	8840	7161	7305	18547	11337	16807	25430	64094	63582	49284	11414	22326	0	23796	26295	5139	4612	6615	27447	12981	24249	0	26402	7782	0	15732	20613	Lipid	0.4347826	1.3913044	0.08695652
24	C28 H32 O8	497.21698	497.21762	0.061792016	497.217	133668	156166	137741	143020	154269	95748	51576	90541	147188	286785	252053	57713	204788	94136	86434	94515	68426	142303	183134	307147	294232	140310	108448	117127	83241	519883	47435	231968	79578	76802	83720	86161	101230	76324	334549	78032	109739	66902	61545	222389	197984	71580	3185	0	0	135242	117477	0	88322	78570	144002	139220	113128	0	162952	137771	78443	108420	82607	53932	105000	146344	174793	130068	64739	164246	90665	74927	472916	560463	639397	82154	64247	62623	51228	71388	0	67528	146781	97613	115021	95973	72700	158658	181759	97002	131366	72221	89216	89698	101309	106516	141213	107114	144727	0	138127	135976	117913	157196	167354	91931	50637	103403	89932	93907	130918	0	79674	163909	Phytochemical	0.2857143	1.1428572	0.0
26	C28 H32 O8	497.21698	497.21768	0.052193314	497.217	52569	55028	48047	48802	66985	32950	13503	36400	70131	84334	88717	20884	85356	42626	32617	38272	22725	58812	75696	122355	121251	50657	38313	48312	29008	214897	17137	87442	31027	29423	29473	29139	32868	28784	113968	27111	44097	25194	25787	86647	82168	30121	0	0	0	57186	47900	0	32386	30479	53935	50963	46719	0	71645	81081	27793	39371	27749	21610	44856	54631	82371	48389	20663	66602	44099	27252	216234	212619	253138	38445	24155	23875	16596	25204	0	27968	60799	47137	43309	32535	26450	66886	95371	32245	50001	31650	29669	27425	41206	34075	54593	43324	58183	0	48009	60142	49091	93297	92725	40776	21595	44071	35483	29868	59909	0	32318	60191	Phytochemical	0.2857143	1.1428572	0.0
28	C28 H32 O8	497.21698	497.21765	0.0632286	497.21704	16538	15376	13673	15143	19260	7002	4130	8833	17532	25444	22403	6207	30201	13800	8483	11927	6973	16822	20624	24898	32871	12843	10801	11098	6409	55814	4876	21801	8988	7396	5598	6810	12539	6745	30659	8801	8295	6495	6803	18084	22095	7228	0	0	0	11558	13046	0	8297	8692	15029	14743	12498	0	19105	19627	9100	8857	5982	5017	9792	11082	22052	12800	6901	21936	10347	7635	62187	61500	89701	7487	5397	3307	4453	6609	0	5648	17100	10974	10261	6859	7198	16637	25617	11187	16785	6023	7367	7846	8764	11681	12529	13029	13383	0	15041	16440	12394	34737	29208	10557	5715	10776	7043	10863	17970	0	7043	18777	Phytochemical	0.2857143	1.1428572	0.0
4	C22 H32 O9 N4	497.2242	497.2252	0.2020941	497.2243	2602	2139	1957	1893	574	2182	1575	2347	811	0	0	1153	315	0	2603	1090	1590	670	1007	864	811	3270	1384	2582	1725	0	939	8045	2331	1350	1898	1556	2366	1163	0	1441	2505	1613	2414	0	0	1083	0	0	0	0	0	0	1851	1542	2206	1244	814	0	1416	456	0	2196	1515	616	1767	0	934	612	0	763	756	1869	0	0	0	1161	1668	2155	0	1629	0	1182	1633	30916	630	0	575	0	702	412	1912	997	1146	2899	43849	20401	5998	4276	2077	0	1321	1813	0	374	560	1880	1365	1064	0	2078	392	0	1768	1080	Peptide	0.4090909	1.4545455	0.18181819
6	C22 H32 O9 N4	497.2242	497.2251	0.18195945	497.2243	6038	6560	4672	5180	917	4623	2317	5542	1469	1547	3495	1840	1180	636	3049	5514	1949	2152	2477	1346	1891	5377	2699	6792	3869	0	1917	47039	6183	3353	4854	5599	6077	2981	2177	2929	7025	3732	3054	0	876	1577	0	0	0	2192	0	0	4678	3743	5907	5020	1351	0	2652	770	893	8643	1781	798	3870	0	2685	1806	1215	2537	1725	3475	0	0	0	4846	5161	2678	1665	2954	0	3071	2104	81666	1626	735	2253	0	1298	1326	4697	2250	2535	6367	131259	54235	9816	15352	5583	0	5380	4023	970	444	833	3542	1815	3227	0	4610	853	0	3079	1499	Peptide	0.4090909	1.4545455	0.18181819
8	C22 H32 O9 N4	497.2242	497.22504	0.23087998	497.22433	19665	15420	12711	12018	0	6003	4515	18891	2427	15150	10323	9570	7104	0	10842	12414	5400	6954	11508	9438	10431	18411	6144	19644	14814	6651	9306	44940	12015	8889	8154	19179	24234	8286	15498	18348	21105	6381	18069	0	2493	6705	0	0	0	0	0	0	18813	7380	19905	12795	4062	0	5610	0	3417	13377	4914	3888	16293	0	7068	4386	0	4119	9162	21573	0	10401	10431	10983	11139	9588	4923	9429	0	10479	6393	192837	5079	2340	6405	0	2841	0	11808	8535	8973	29940	265134	146988	30966	37980	22746	0	14931	13305	0	0	0	16980	9150	11085	0	20160	0	0	11070	6384	Peptide	0.4090909	1.4545455	0.18181819
20	C25 H36 O10	497.23813	497.23877	0.001239424	497.23813	160841	150469	152542	140516	99898	103272	113672	198382	134588	264338	107654	89745	160723	64446	174329	158790	80403	157890	192502	229232	183870	162612	138799	170371	148023	83003	95345	111484	200233	159501	170841	174416	200320	148504	281838	191103	224467	126586	92055	146660	54502	86829	2999	0	0	134636	66388	0	178304	149946	145960	144360	101967	493	199900	107498	71024	167455	190418	56058	175048	88787	160854	144028	71796	122928	108076	91618	59514	163199	89884	165166	177738	192172	99323	153060	0	132604	122132	62226	111781	73619	146047	100360	102448	96435	139553	77340	103229	87957	181179	202891	210472	70657	117015	0	157944	149732	86265	93075	98447	180299	114650	193271	85446	159525	80408	0	110788	182031	Lipid	0.4	1.44	0.0
14	C25 H36 O10	497.23813	497.2389	0.09601119	497.23816	25202	30472	20260	19177	4845	6827	33235	29449	13609	14232	10573	19847	7365	5328	25147	27286	41652	7929	11209	20144	16562	15352	20623	24109	19477	7319	23150	16065	26367	33497	25758	27071	26161	22932	15885	31857	25915	22028	41411	8896	16505	9237	0	0	0	13778	15430	0	33603	25400	32181	23382	9236	0	17399	8483	9009	31230	22729	20633	24323	6089	9010	12096	10716	14672	10458	40363	0	14215	8088	19914	24652	32504	37582	23500	0	18424	29473	0	25336	12735	23519	9086	12095	11070	31004	7459	12952	35367	18978	16806	24982	7613	10747	0	27562	25309	11536	10512	14800	30406	21311	32794	0	21654	10491	0	23003	9798	Lipid	0.4	1.44	0.0
12	C25 H36 O10	497.23813	497.239	0.33486277	497.23828	7201	10511	7487	6520	1402	4109	0	10338	2482	3887	0	8383	0	889	7851	9089	13482	3652	3915	6434	6448	0	4614	7844	6661	3309	9985	0	14521	11798	9039	11836	9249	5418	3116	12501	8402	7230	12570	8709	0	3452	0	0	0	3234	5888	0	8431	8250	11107	11793	2506	0	2984	3475	2635	7949	0	0	0	0	2727	2177	3491	2274	2972	11135	0	0	0	8469	6916	11079	13762	8880	0	6461	10778	0	4827	2994	7882	3575	2668	3044	6637	3098	1841	0	34476	9452	6226	0	4349	0	7675	11669	0	3416	5412	14715	4701	7344	0	5745	1604	0	8709	0	Lipid	0.4	1.44	0.0
26	C25 H36 O10	497.23813	497.23868	0.1418373	497.2382	6260	7001	7131	8622	4717	5896	2816	9958	6413	14719	0	0	11192	2376	7176	6176	0	6892	10402	10170	12698	7912	0	5614	0	0	2155	0	13725	0	8716	8830	10693	11037	23849	8510	14278	5144	0	7552	0	0	0	0	0	0	0	0	10539	0	9188	5847	6028	0	11165	0	0	8968	7677	0	5497	0	11232	8061	4330	9221	3634	3833	0	12011	0	8158	6014	9067	0	7471	0	7343	6977	0	4922	0	6802	0	0	0	7341	0	5976	3766	10166	11985	7299	0	0	0	6750	8389	3848	3357	0	9404	4232	6445	0	4586	4991	0	3113	6893	Lipid	0.4	1.44	0.0
18	C25 H36 O10	497.23813	497.2388	0.018905155	497.23813	129899	106523	119135	99963	64117	60518	107289	148234	74244	162003	91994	76138	85502	41922	125737	142014	92818	98739	142086	150796	135990	101185	105332	135669	98439	72056	87018	88823	158252	119548	132452	158929	159797	108705	137719	131632	153383	99691	109459	105354	66121	66893	1554	0	0	83951	66889	0	138337	118383	118088	112514	63063	487	122461	75749	47038	127858	114088	62170	112111	71481	104412	82652	51160	87864	72542	108760	50396	103881	75838	104085	113808	139511	107677	125068	0	93972	120407	54610	101548	63743	96628	64032	77230	62430	116249	52185	75643	91402	135629	136737	178395	48952	85140	0	115485	111428	60958	72431	68549	148522	84145	132117	58528	102607	62655	0	96925	96988	Lipid	0.4	1.44	0.0
22	C25 H36 O10	497.23813	497.23877	0.028404294	497.23813	139614	126738	120843	123161	84171	84859	77687	156850	130678	263433	74639	64442	127951	61294	145944	105291	42768	172791	180472	226366	174507	150799	124540	142122	166518	54784	56772	85768	160875	134644	150406	163366	176155	115747	290892	155670	208009	116985	54229	132306	34342	76381	0	0	0	138479	34515	0	146508	116807	126400	131058	89557	546	229389	94180	61554	130856	175643	22951	128626	90117	154397	133670	53470	110812	93465	52486	41971	169385	57771	144662	122870	156734	51266	120775	0	113013	96766	42172	85573	58372	104987	66992	77657	75841	77520	47801	99069	37927	159180	206031	201101	56995	111587	0	123360	131415	63297	71818	62861	148212	89856	155109	65183	128802	68091	0	75998	174148	Lipid	0.4	1.44	0.0
28	C29 H36 O7	497.2534	497.25403	0.05935949	497.25342	27010	25963	26402	23678	41112	16410	13497	25598	31265	29752	32696	12143	43857	17334	15086	25270	17200	21491	35517	35310	34873	21284	20054	22663	19854	90263	14443	35165	22908	26756	22910	20734	24680	17974	41008	26186	28274	17882	17483	26350	35727	20591	0	0	0	24673	18500	0	22141	26756	24293	25310	27955	0	32659	39714	16910	26794	14837	10990	27227	18888	33032	26975	12115	36650	23262	22371	81687	76572	110430	16268	15415	17552	9987	16610	0	15283	31659	21437	20483	16617	17871	29091	45147	17089	36664	15719	15818	23364	16446	21953	28043	20851	21915	1315	28995	28150	23737	59805	63851	25452	11909	32806	16332	21815	30952	0	15535	25749	Phytochemical	0.2413793	1.2413793	0.0
20	C29 H36 O7	497.2534	497.25403	-7.19008E-4	497.2534	127582	127446	119057	117318	126977	66348	93534	102432	100879	100221	100990	89801	98707	71895	105003	152164	167575	73828	119271	145774	130452	94799	96573	121069	85395	237020	101848	100016	107779	109378	91752	108627	123158	68735	120903	91787	122318	106360	173972	104343	132066	77070	2083	0	0	83590	99293	0	125127	109752	118028	121551	96493	0	123101	112985	75526	131324	73685	104138	107714	68761	110616	98909	77721	99913	84392	185117	168307	230425	311053	66085	78675	99330	140168	94205	0	83374	183097	88402	123079	63261	93399	102203	158730	95124	175509	77474	82845	187549	110783	108824	138843	68836	84723	0	121000	119368	103637	156243	157536	130274	85202	119955	63036	118187	121578	0	120137	103778	Phytochemical	0.2413793	1.2413793	0.0
18	C29 H36 O7	497.2534	497.25403	-1.63142E-4	497.2534	47637	46741	47781	40523	37533	19669	40370	47508	32088	27679	31120	35034	26004	22896	37484	68228	76923	19913	32222	32068	38483	38021	40968	48262	39687	60057	54973	31087	40458	41057	38561	43709	41517	26036	24856	51006	37324	49717	82895	19972	45766	27742	903	0	0	24967	32158	0	41117	46054	47242	47149	28245	0	41808	41151	31020	58728	24572	45690	43873	21196	35461	29513	25172	34848	29333	84231	56012	57230	91210	23716	21351	41312	62235	52984	0	32688	83067	25781	57877	26577	41480	27749	53011	34733	73713	23774	28333	87210	46721	46848	52945	26015	32576	0	46835	48274	35767	69783	53825	54660	32667	42018	20082	38538	37546	0	54326	30294	Phytochemical	0.2413793	1.2413793	0.0
24	C29 H36 O7	497.2534	497.254	0.05737728	497.25342	264892	265986	244307	248622	310020	168939	134039	211227	258279	323745	367220	144429	285440	170731	182848	282229	207063	225118	333312	453090	436125	204014	209322	244806	184495	869961	134533	358199	181481	205720	185123	201733	244513	169627	396140	210798	257615	167638	209905	323317	326921	154228	4717	0	0	212975	187380	0	208799	198654	258489	248962	227339	0	298207	269793	138589	259796	176206	148455	247807	203099	288084	227305	126445	256849	185362	223103	699768	786643	885458	174319	163677	168190	160154	193403	0	161360	288556	167325	238482	141686	166942	248029	347294	205311	271155	153623	178351	221070	217247	224965	277710	172643	215328	0	253121	252336	214612	287229	341991	259792	140964	263862	139835	205452	267404	0	177165	263875	Phytochemical	0.2413793	1.2413793	0.0
16	C29 H36 O7	497.2534	497.25412	0.056807842	497.25342	10778	7686	17723	14754	7375	4379	16242	11081	7308	2428	8245	13462	3805	2380	10115	15322	26372	3681	7086	6566	4930	7028	9365	14682	11136	12794	14036	6895	11150	13169	8919	11303	9017	4287	0	14767	9402	12632	28612	6861	9278	5639	0	0	0	3536	7398	0	12623	15343	11350	10978	5290	0	10043	8738	8337	10561	7070	14282	14978	3943	4448	5451	6427	5827	4406	20242	10032	8832	12356	4997	7466	14833	18778	14633	0	10112	21533	8800	14469	7634	16162	6271	11921	6474	24509	6160	6266	36689	8162	8648	0	6406	6028	0	9631	10488	8201	15548	13683	13570	8045	10868	4779	0	12804	0	14858	0	Phytochemical	0.2413793	1.2413793	0.0
26	C29 H36 O7	497.2534	497.25406	0.05996918	497.25342	132651	132566	126651	123531	164823	72140	61639	131588	142719	157655	186164	70699	187637	100674	109455	140424	96387	134589	180359	263319	224063	125391	116232	146324	111038	465686	59540	207118	125368	113253	100810	110820	124171	90905	206596	137380	139084	89762	92763	185183	164528	93770	0	0	0	127306	107115	0	107722	118750	140953	130467	119499	0	172720	175605	82985	124487	98671	69253	143346	115906	147454	124830	65320	137239	113451	107712	426016	383291	433017	99202	96840	101905	80810	96230	0	84015	138869	114587	106507	81821	88549	135062	205651	101844	150476	74387	87864	101580	100992	123205	158462	100167	110274	0	131565	143585	112658	209001	213437	145964	68526	144265	90993	99383	157121	0	87891	133554	Phytochemical	0.2413793	1.2413793	0.0
6	C23 H36 O8 N4	497.2606	497.26123	0.22803725	497.2607	0	0	706	0	0	23470	0	0	0	0	0	0	0	0	775	0	0	0	0	0	0	1005	0	0	1262	0	0	0	1358	793	0	880	1391	0	0	0	0	0	0	0	0	530	0	0	0	0	0	0	0	0	1340	937	0	0	0	0	418	1091	0	0	0	0	0	0	0	0	0	0	0	0	0	1045	0	970	0	0	0	0	0	27403	575	0	333	0	0	0	776	0	0	2455	25488	7050	1552	1405	0	0	0	0	0	0	0	0	711	0	0	0	0	0	0	0	Peptide	0.3478261	1.5652174	0.17391305
8	C23 H36 O8 N4	497.2606	497.26123	0.12652145	497.26065	1452	0	955	2056	0	1622	0	0	0	0	0	1459	0	0	752	1390	0	0	0	0	0	2091	0	1102	1084	0	0	0	1205	1374	0	2439	2594	1412	0	0	2681	568	0	2027	0	0	0	0	0	0	0	0	0	967	1365	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1331	865	2201	0	0	0	0	0	16374	0	0	0	0	0	0	0	0	1186	1453	33903	8925	3657	0	0	0	0	1727	0	0	0	0	763	1836	0	0	0	0	0	0	Peptide	0.3478261	1.5652174	0.17391305
6	C30 H40 O4 S1	497.272	497.2725	-0.15018244	497.27194	0	0	0	0	0	1804	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2715	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	643	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15286	0	0	0	0	0	0	0	0	0	0	30138	2261	0	1315	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.13333334	1.3333334	0.0
26	C26 H40 O9	497.2745	497.2751	-0.009554176	497.2745	11797	11229	8422	9076	8823	4971	14511	11985	7344	12562	4490	5783	11850	5529	11269	0	5882	11551	22279	20192	11175	11435	4906	8594	16162	0	7904	0	16535	11556	12802	10825	20712	8938	23667	13761	29165	9544	4266	8306	0	0	0	0	0	0	0	0	13341	8632	9195	11833	6907	0	21384	7137	5183	12357	17748	0	9192	6391	12265	11000	3911	14565	10639	4575	0	8839	3081	10134	11546	15710	0	13146	0	11535	6880	0	4911	5542	14867	3705	10751	0	7067	5359	10411	4236	23463	24590	13806	0	5713	0	9771	8311	4372	6105	5913	16339	7360	11908	11449	7972	7955	0	4754	14100	Lipid	0.34615386	1.5384616	0.0
20	C26 H40 O9	497.2745	497.27515	-0.014564055	497.2745	23218	18245	24399	19172	12113	13036	40627	29537	19240	10468	9879	20196	19593	11318	21511	34175	28402	20580	28110	15535	14205	14529	19246	19621	20741	8682	34597	10244	44311	39041	26739	35979	38500	28836	16313	41102	48801	23894	32790	9662	6833	16399	666	0	0	7802	8564	0	41382	22862	24366	22954	17185	0	30916	16682	11784	34883	20084	10976	26943	5322	20427	17047	11709	20174	21096	29035	4200	7202	8074	23366	33381	34222	38419	32288	0	23681	24530	6633	16700	8079	48454	13991	19689	14210	23209	11779	19579	18825	32100	25266	25076	9289	6983	0	23872	24560	14375	27311	21888	46150	19853	26015	5876	25041	18450	0	16849	18257	Lipid	0.34615386	1.5384616	0.0
16	C27 H36 O5 N4	497.27585	497.27594	-0.49536085	497.2756	3166	2939	5514	4316	0	1900	14972	9482	0	0	0	2865	0	0	4536	8153	8680	0	3177	0	0	2702	2384	3127	3087	0	19898	4743	4705	6277	5718	6811	8244	2795	1868	6704	1847	3771	10249	0	0	2068	0	0	0	1828	0	0	7656	4661	1971	3222	0	0	0	1669	1345	2947	0	2944	0	0	2994	0	1401	0	1615	5710	0	0	2127	1354	4429	6711	10795	4889	0	5478	2982	6248	1993	1818	4466	0	1938	1191	6666	0	0	0	63490	3931	0	1439	1781	0	4898	3032	1250	2893	2538	7010	2766	4530	0	0	2047	0	3873	0	Peptide	0.18518518	1.3333334	0.14814815
14	C23 H44 O9 S1	497.2779	497.2784	-0.7590819	497.2775	1799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2921	0	0	0	0	0	0	0	0	0	0	0	0	1337	0	0	0	1402	0	6621	0	0	0	0	0	0	0	0	0	0	0	0	0	2367	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4378	0	0	0	0	0	0	0	0	3186	1922	0	0	0	0	0	0	0	0	0	0	0	0	0	1484	0	0	8015	2058	0	0	0	0	0	0	0	0	0	0	0	21272	0	0	0	0	0	0	Organosulfur	0.39130434	1.9130435	0.0
28	C30 H40 O6	497.28976	497.2904	0.033096105	497.2898	44722	39006	45810	40089	66428	22402	45785	43143	53630	28799	46223	25442	64290	35060	29840	43145	43186	37281	74322	44955	37260	31533	38532	38777	52429	97151	38899	53803	44854	46642	39194	36446	56415	27318	36986	56419	48892	33872	38862	36332	40330	26931	1174	0	0	32238	21457	0	36383	42244	43820	39648	45064	0	63711	71550	28445	45903	35818	24646	46623	28933	41348	50108	20958	50492	37007	41094	72091	51069	67344	22687	25394	43062	21051	35779	0	27104	61292	45563	35616	24831	40609	41073	97497	43262	79132	25400	28839	44988	36689	43603	50760	40592	21732	0	42832	42980	39498	125191	131064	62918	26704	52049	27594	41100	71198	0	36622	37455	Lipid	0.2	1.3333334	0.0
24	C30 H40 O6	497.28976	497.29037	0.017637135	497.28976	176552	175822	159146	174128	285170	117465	141462	142478	205447	126455	182955	111712	202922	137901	139852	200441	226688	166481	266338	181625	175924	131252	144362	160777	147946	313506	142561	175939	137947	164855	125316	151941	199372	106854	152002	173422	193978	139168	223595	148697	187454	115489	3444	0	0	115739	131113	0	153640	144842	179212	174203	192285	0	242113	237009	140098	194824	119023	135331	176409	109421	189047	179456	110974	181652	144515	258949	246065	232440	318603	97771	109843	132051	145843	147776	0	113418	234237	136901	176634	97801	139085	142677	340126	205699	252502	111421	152132	237964	165407	165761	201708	134644	141276	0	164919	179880	175850	349033	386733	231865	111700	186180	90842	156376	280467	0	158427	178104	Lipid	0.2	1.3333334	0.0
20	C30 H40 O6	497.28976	497.29044	0.023334911	497.28976	27003	23138	24336	29017	35183	12230	31697	25185	33940	7424	14675	17130	18244	28646	26964	33707	67928	17998	33760	14538	12732	13555	21796	19694	24987	21856	37391	14066	23368	21356	15414	24006	26659	10603	4935	16470	23767	27358	71650	10371	18382	14506	0	0	0	9440	13958	0	20652	23957	25604	29463	33167	0	31537	46433	23009	25997	15451	32765	23822	7798	20065	24846	20722	20535	17904	70377	15769	20158	25010	6023	13295	20206	42386	20462	0	18515	55883	23546	35513	7613	25385	10917	52620	28305	55624	18247	16321	62469	27989	21497	26752	12042	19385	0	28740	30005	32331	76487	82880	26038	20659	23181	11192	18307	47243	0	39245	19473	Lipid	0.2	1.3333334	0.0
26	C30 H40 O6	497.28976	497.29044	0.04673217	497.2898	169243	167263	168283	161031	284017	100594	129932	172323	211862	120465	202134	101690	214896	137990	151971	196371	180228	179575	252865	225467	194741	138830	132900	161843	173064	405370	129228	211799	181141	185830	138773	156490	195157	112591	157075	200275	188249	129087	166383	167365	192124	129590	0	0	0	128203	116190	0	145021	168469	184364	159723	194273	0	262788	276989	126061	169345	135516	112344	168057	118848	169666	193455	96434	168892	159639	190768	332919	266801	291814	100920	116126	165947	132805	150534	0	112851	211424	163365	154056	96015	147020	154002	350452	185931	226421	113111	126456	173255	148584	175224	198678	140230	121808	0	168127	185965	173507	383231	393741	245819	94854	209910	102123	131807	280264	0	150414	163802	Lipid	0.2	1.3333334	0.0
22	C27 H44 O8	497.31088	497.31143	-0.02991684	497.31088	1713	2149	2566	0	2263	1602	22425	2834	1298	0	0	1721	0	0	1551	4258	4699	0	1777	0	0	0	1765	2086	3162	0	13721	1498	2633	3293	3504	0	2713	1244	0	3115	4789	1775	6046	0	0	1351	0	0	0	0	0	0	2612	1320	3623	1364	0	0	3295	1636	0	3749	0	1943	3430	0	0	1623	0	1817	5895	3827	0	0	0	1501	3009	5595	3925	3225	0	1592	2892	1682	1096	0	19772	7033	0	1268	1483	1294	1790	5071	3294	3726	0	0	0	0	0	2272	0	3260	3563	5342	1352	0	0	2767	2477	0	2457	2693	Lipid	0.2962963	1.6296296	0.0
24	C27 H44 O8	497.31088	497.3115	-0.03245063	497.31088	5882	6272	4135	4963	6496	1778	50544	5047	1918	2869	2268	3137	3658	6920	4505	5964	9834	4667	9371	2233	2202	2870	3986	2853	6610	2610	39224	5356	3955	7448	5589	8900	8087	5381	1923	6970	7667	4581	12153	0	1899	3557	0	0	0	0	0	0	11421	3677	4980	4897	2762	0	7278	3636	2011	7105	3216	3196	6460	0	7029	3361	4107	7318	7935	9062	0	0	1426	3195	6464	9028	5927	4811	0	3593	3213	2762	2499	2617	29323	18267	4664	3855	4942	3408	2954	8266	13899	10410	5691	0	2208	0	3457	6365	3201	3387	7233	11143	3160	6227	4799	4439	4720	0	4086	6024	Lipid	0.2962963	1.6296296	0.0
26	C27 H44 O8	497.31088	497.31146	0.038336404	497.3109	36445	38775	32527	32081	5109	3109	65146	23614	2978	3850	15556	152811	4026	8896	31917	389983	689198	0	9002	6295	0	2482	5071	0	10983	0	59620	15434	15840	76968	10782	25188	15129	4736	7374	34894	29087	42577	710450	0	3831	0	0	0	0	0	0	0	67226	71500	33512	29678	6388	0	6469	0	3214	61521	8267	4328	118155	2616	4868	2503	9651	9560	11105	527232	0	4859	12185	3506	4514	43851	144052	31144	0	49316	3619	0	2877	2966	15239	8114	0	7362	6230	0	5182	6070	14742	14272	10106	0	0	0	33190	39144	0	5545	0	65741	94394	6766	13555	18033	0	0	15456	5379	Lipid	0.2962963	1.6296296	0.0
28	C31 H44 O5	497.32614	497.32678	0.011967017	497.32617	23475	19571	22879	19359	32376	7989	33100	23025	35614	4835	18611	13445	15995	11831	21093	14912	33986	14637	39876	11428	8368	9740	17439	12376	34515	20457	39752	25591	29438	24128	20479	21223	47394	10123	10663	32740	26135	23061	33350	10091	6351	13932	0	0	0	7020	4156	0	17228	21076	19594	22089	24712	0	48338	33429	16982	21797	22985	7854	18701	9795	18053	24970	13212	16805	20388	37670	17215	9091	9295	6245	13053	27638	11548	20453	0	19103	35530	16959	17381	11126	29004	17428	69701	32494	51708	8893	15096	23522	18087	22830	21225	17015	4977	0	21473	20081	28612	74994	82521	57340	20281	22758	13697	21043	65066	0	24077	13130	Lipid	0.16129032	1.4193548	0.0
24	C31 H44 O5	497.32614	497.32675	-0.005183489	497.32614	21251	17299	15332	15763	20652	7367	24891	14557	26737	4040	10897	12093	8452	17067	18846	22454	37688	10387	23923	7342	5763	9388	14303	11452	22801	10147	27245	13315	15122	17163	13765	18245	18987	8244	5109	21750	12102	19669	39071	6305	9445	8863	0	0	0	4380	4287	0	17065	13031	18955	11699	19725	0	36723	32431	20332	20517	11619	13146	16228	3667	10801	19636	17392	11126	16292	42431	6432	4856	5981	3191	9285	20048	23478	19038	0	11188	35228	11034	22270	10158	17932	8289	58344	32192	44260	10771	10195	49057	14607	19016	19878	6664	5562	0	16005	18012	28625	51835	71081	28649	11937	17069	6283	15534	43817	0	29982	12590	Lipid	0.16129032	1.4193548	0.0
26	C28 H48 O7	497.3473	497.34717	-0.12744819	497.34723	2055	0	0	0	0	0	55348	0	0	0	0	0	0	5763	0	0	0	0	0	0	0	0	0	0	0	0	48231	2895	0	0	0	0	4549	0	0	0	6554	3982	6563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2061	0	0	0	0	0	0	3568	0	0	2700	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5931	5107	0	0	0	0	0	1778	4526	1872	0	0	0	0	0	0	0	0	0	5911	0	0	0	0	0	0	0	0	Lipid	0.25	1.7142857	0.0
22	C20 H19 O14 N1	498.08783	498.0886	0.12102925	498.0879	2069	1853	5689	2523	9339	6781	1293	1341	11682	0	0	1502	21085	0	2027	0	0	14138	7899	0	2930	9594	2630	0	0	0	0	0	0	0	0	0	1324	0	4282	0	0	1273	1208	3331	3335	1808	0	0	0	6231	30193	0	0	0	2247	5077	3963	0	13274	12863	5035	0	0	0	0	3808	16240	11264	4048	5923	1717	0	0	0	0	0	0	0	0	0	359	0	1852	7029	2002	11004	0	0	21144	3154	3267	0	2581	0	0	0	1555	13497	6188	0	0	3234	7097	7654	11726	0	1933	0	19754	1999	10210	0	0	14876	Phytochemical	0.7	0.95	0.05
14	C20 H19 O14 N1	498.08783	498.08887	0.28611442	498.08798	5203	5471	4243	3919	18162	6820	0	0	24148	0	6706	4594	36828	3200	1339	0	0	16923	16226	1892	8234	16533	3355	0	0	0	0	0	0	0	0	0	0	0	4086	0	0	1566	0	4099	8787	9491	0	0	0	5664	43801	0	0	1442	4590	4222	7795	0	19263	27136	7333	0	0	0	0	5860	36038	21649	6641	18712	8865	2664	0	0	2321	0	0	0	2146	0	0	1025	2685	0	2329	11472	0	0	29234	6433	3031	5787	7256	0	0	0	2683	29015	6609	0	3576	5145	24533	26822	26296	2818	1563	0	20686	1949	19632	0	0	32299	Phytochemical	0.7	0.95	0.05
20	C20 H19 O14 N1	498.08783	498.08862	0.21603678	498.08795	5386	4224	4235	5244	15365	8891	0	0	19715	0	1849	2127	29453	4904	2707	2210	1294	20731	14319	0	6257	9510	4864	0	0	0	1189	0	0	0	0	0	2639	1281	2846	0	0	1232	0	4317	4574	6034	601	0	0	10014	35425	1009	0	0	4372	4529	7104	0	15370	21374	3525	0	1738	1556	0	9618	22918	19297	5212	10613	3829	0	0	0	0	0	0	0	0	0	273	0	2192	12272	2486	11247	0	0	23014	6621	2509	4356	4838	0	0	0	0	19424	0	0	4498	6937	18687	14350	17835	0	2482	0	30501	3072	13928	0	0	32828	Phytochemical	0.7	0.95	0.05
26	C20 H19 O14 N1	498.08783	498.0885	-0.006905864	498.08783	4156	2837	3931	3946	5726	5584	0	0	9782	4380	0	0	21735	2622	0	0	0	11877	11027	0	8315	8577	0	0	0	0	0	0	0	0	0	0	0	0	4633	0	0	0	0	0	0	0	0	0	0	6682	25244	0	0	0	2855	4269	4257	0	8523	7005	0	0	0	0	0	3948	16250	7739	0	6439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6470	0	0	11095	0	0	2424	0	0	0	2060	0	9736	5059	0	3312	0	6914	5862	5756	0	0	0	17543	0	5309	0	0	22041	Phytochemical	0.7	0.95	0.05
12	C20 H19 O14 N1	498.08783	498.0889	0.31803623	498.08798	1753	2348	0	0	7899	2292	0	0	14203	2492	0	0	20217	1709	0	0	0	7320	12512	2042	6999	11272	2702	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6537	3983	0	0	0	4301	17191	0	0	0	2863	4092	8326	0	12029	14576	3841	0	0	0	0	2133	26917	12820	4440	8278	1751	0	0	0	0	0	0	0	1377	1008	0	0	1232	0	1215	5350	0	0	11856	2903	0	3080	2901	0	0	0	0	21596	3043	0	2610	3067	17709	13728	12950	0	1739	0	0	0	11974	0	0	20845	Phytochemical	0.7	0.95	0.05
16	C20 H19 O14 N1	498.08783	498.08875	0.17760865	498.08792	8231	7597	9282	8010	24897	9537	0	0	26405	3923	5734	4619	51059	5749	2786	2182	2420	24275	18781	3039	13559	16434	7371	0	0	0	0	0	0	0	0	0	0	0	5139	0	0	2547	1476	1528	8642	10769	492	0	0	10001	50662	418	0	0	6667	5141	15054	0	28485	36165	7097	3205	1547	4003	0	7612	46807	23338	8849	20229	9796	2204	3270	0	2039	0	0	0	1623	0	0	1977	0	17277	3740	15801	0	0	36579	8624	0	8031	6148	0	0	0	0	33209	11380	0	8355	6685	29422	26967	35065	0	2924	0	33412	0	30138	0	0	40290	Phytochemical	0.7	0.95	0.05
28	C20 H19 O14 N1	498.08783	498.08865	0.36577043	498.088	3137	3772	4848	4040	9641	4850	1484	0	11483	5405	2236	2034	23638	2636	2706	0	0	12395	12555	5164	9470	9719	2996	2033	0	0	1415	1023	0	0	1201	0	1408	0	6962	0	1435	0	893	3457	5241	0	1325	0	0	10236	31536	0	1224	0	5002	3692	6640	0	12991	9582	2721	0	2347	1160	0	5301	16864	9634	3016	7367	3795	0	0	2939	3184	0	2216	4010	0	0	0	0	2158	7962	1569	9886	0	2363	10715	3270	1698	2510	1712	1526	2405	0	0	8068	5501	0	4771	5686	7320	5824	10118	0	1980	0	20284	1448	9332	0	1187	21362	Phytochemical	0.7	0.95	0.05
24	C20 H19 O14 N1	498.08783	498.08865	0.11755516	498.0879	2696	1184	3320	2530	9865	6002	0	0	7350	0	0	934	22341	2949	0	0	0	8764	4821	1691	2796	9841	2805	0	0	0	0	0	0	0	0	0	0	0	2572	0	0	0	0	0	2820	1977	0	0	0	6077	21805	0	0	0	3660	5117	5376	0	11248	10993	1925	0	1875	0	0	4212	15800	12558	2289	6299	1572	0	1909	0	0	0	0	0	0	0	0	0	1429	4614	1344	9714	0	0	10621	0	1153	1432	1541	0	0	0	1452	9586	4534	0	2155	3896	8156	5032	6415	0	0	0	14928	0	8832	0	884	18452	Phytochemical	0.7	0.95	0.05
6	C22 H20 O11 N1 Na1	498.10068	498.1019	0.21444547	498.1008	0	0	0	0	0	0	2953	0	0	0	0	0	0	0	0	0	22152	0	0	0	0	0	0	0	0	0	2007	0	0	0	0	0	0	0	0	0	0	0	29850	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	531	14151	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1204	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.5	0.90909094	0.045454547
18	C24 H19 O11 N1	498.1031	498.1038	0.11465101	498.10315	10183	12651	7395	10348	12865	7509	0	0	14543	46285	20966	1382	19905	5989	2869	3932	1654	15566	17561	24206	36876	43191	3120	0	2788	14057	1116	12278	0	0	0	0	4410	0	60406	0	3891	1972	2235	20244	25452	4895	446	0	0	22228	27591	0	0	0	6879	8493	6016	0	17628	11781	4758	2067	2427	1924	0	17555	28235	9360	4286	16752	5315	0	12209	23728	20557	0	0	0	0	0	0	1703	6087	33133	1973	22020	0	11796	14436	6083	6316	4057	3363	3838	5386	7159	3131	39556	66014	0	10428	7438	11687	13435	11252	1923	0	0	13297	0	7485	0	2581	18907	Phytochemical	0.45833334	0.7916667	0.041666668
28	C24 H19 O11 N1	498.1031	498.1037	0.16863449	498.10318	2728	3558	4107	3803	4487	4277	0	0	4958	16125	2354	0	5289	2019	0	0	0	5981	6500	6807	6534	12483	0	0	0	0	0	1951	0	0	0	0	1860	0	14934	0	1064	0	1577	4980	6451	0	0	0	0	6565	6388	0	0	0	4090	2412	3293	0	4405	3821	1762	1376	0	1281	0	4675	10564	4587	1435	3909	2978	0	2839	4795	7556	0	0	0	0	0	0	0	3425	10884	3649	3958	1876	2880	5393	2454	2107	2099	2893	1708	1096	2428	0	12808	21390	0	2372	2254	2484	2159	3244	0	0	0	5472	1453	2643	0	1086	8276	Phytochemical	0.45833334	0.7916667	0.041666668
16	C24 H19 O11 N1	498.1031	498.10388	0.13941382	498.10315	11391	10258	6041	10316	12388	2866	1634	0	6851	37688	17376	1975	15379	5087	2713	0	0	11900	7978	20892	27596	31780	1928	0	0	10354	2331	8935	1568	0	0	0	0	0	52579	0	2202	1681	0	20607	26269	2249	0	0	0	16437	23462	0	0	0	10646	5676	5917	0	11128	9759	3852	1987	1203	1706	0	10561	26003	8951	3291	16925	5031	1354	11879	14869	21996	1405	0	0	0	0	0	0	6071	20853	4009	14842	1146	15190	10465	4439	3343	3254	3249	0	0	5051	0	37736	39006	0	8678	8436	10147	9108	11926	0	1196	2116	16025	0	7122	0	1939	11490	Phytochemical	0.45833334	0.7916667	0.041666668
26	C24 H19 O11 N1	498.1031	498.10376	-0.010004199	498.1031	4874	3109	3649	3674	4783	2997	0	0	4145	14839	4545	0	7984	0	0	0	0	9784	7328	5989	10122	15127	0	0	0	0	0	0	0	0	0	0	0	0	17435	0	0	0	0	6503	7198	0	0	0	0	5885	11248	0	0	0	0	2124	3094	0	6186	0	0	0	0	0	0	3989	8817	8447	0	5984	0	0	0	4498	6220	0	0	0	0	0	0	0	3708	7070	2651	5553	0	2750	0	0	2482	2731	3613	0	0	0	0	13445	24073	0	3176	0	2396	4106	0	0	0	0	7806	0	0	0	0	8422	Phytochemical	0.45833334	0.7916667	0.041666668
20	C24 H19 O11 N1	498.1031	498.10373	0.0715884	498.10312	12991	9072	9833	9415	9604	5817	1330	2235	14711	51130	16930	0	23637	7322	3842	2449	2366	16973	18918	21664	31703	40034	3713	1600	3213	5884	1452	4873	0	0	0	0	1708	0	56443	0	3002	2619	1493	15220	27939	3293	1137	0	0	20959	31827	0	1720	0	9306	8707	8285	0	11853	11510	4219	3110	2246	2058	2277	15756	27052	15001	5294	15045	3935	0	12418	16282	22542	0	0	0	0	0	0	1168	7041	27440	7503	20090	3686	0	16467	4753	8603	3788	4251	4459	2561	6547	8046	38017	52924	0	9724	9998	12418	16588	13692	0	1729	4202	15930	1786	10544	0	3609	21653	Phytochemical	0.45833334	0.7916667	0.041666668
22	C24 H19 O11 N1	498.1031	498.10373	0.025350578	498.1031	5418	7320	6896	6244	7278	3974	2471	1228	15966	25607	7822	0	15203	0	1627	1667	1452	16280	14385	11658	25059	26941	3228	2700	3822	5856	1499	5002	0	0	0	0	1530	0	40454	0	3632	2412	1172	14226	12795	2879	0	0	0	19218	22810	0	0	0	9260	6624	6469	342	9856	12028	5177	2068	1692	1585	2454	10695	19690	9451	1935	7352	3214	0	9521	3244	13383	0	0	0	1176	0	0	0	5869	22119	4630	17090	1952	6979	13476	6446	6952	2130	2758	2783	2168	4387	0	34828	49445	0	6359	3651	6024	8956	8063	2199	2493	2174	16680	2039	5413	0	1769	15964	Phytochemical	0.45833334	0.7916667	0.041666668
14	C24 H19 O11 N1	498.1031	498.104	0.20033872	498.10318	4172	5408	6148	4708	6711	2232	0	0	3936	23244	12925	0	9690	2478	0	0	0	5978	3313	12903	18755	15743	1176	0	0	8088	0	0	0	0	0	0	0	0	36652	0	0	1734	0	10286	12577	0	0	0	0	5811	12296	0	0	0	0	3791	2843	0	8082	5317	920	0	0	0	0	8390	11024	6633	1934	8313	0	0	0	9344	18775	0	0	0	1213	0	0	0	3314	0	1751	4761	0	3038	5766	3390	4332	0	0	0	2804	0	2865	17522	18748	0	4001	2807	5960	7043	8490	0	0	0	0	0	5220	0	0	5578	Phytochemical	0.45833334	0.7916667	0.041666668
24	C24 H19 O11 N1	498.1031	498.10376	0.07550353	498.10312	4358	6808	4314	7872	6051	3561	0	0	7492	21094	5767	0	10830	1820	1706	1214	2358	10724	7498	10965	9323	18171	2105	1385	0	3081	1205	3345	0	0	0	0	1117	0	20226	0	1088	0	0	7457	6372	2588	0	0	0	13597	18722	0	1168	0	4233	5103	4056	0	12764	3692	3072	0	883	922	0	5716	12804	7290	4071	7048	1533	0	4506	5359	6099	0	0	0	0	0	0	0	3615	18900	4240	8214	1213	3994	9031	3342	1556	2012	1609	0	0	0	1819	26543	32018	0	4747	2105	5492	6249	2911	0	0	2748	9147	1866	2476	0	1278	9214	Phytochemical	0.45833334	0.7916667	0.041666668
28	C21 H23 O13 N1	498.1242	498.1249	0.13175303	498.12427	7654	6157	8436	6639	8436	8759	0	2453	7660	15144	5592	1879	17561	3737	3810	0	2519	16021	9547	17622	24299	10042	3484	0	0	2594	0	1719	0	0	1812	1655	3206	2089	15652	0	2146	1992	1332	11051	10209	0	0	0	0	34740	74764	0	2707	0	6627	6911	4298	0	7381	7838	2630	2756	2844	3886	1763	13041	11317	6489	2716	6810	2553	916	9325	11435	13736	1655	1656	2740	2555	2636	0	2756	1905	7040	3364	25998	1183	4930	8565	4318	0	2028	3809	1378	3119	3830	3350	9842	9972	0	8578	7907	7413	3737	4780	1913	1598	2859	39763	1343	6479	0	0	13372	Phytochemical	0.61904764	1.0952381	0.04761905
14	C21 H23 O13 N1	498.1242	498.12503	0.15411542	498.1243	77621	88134	78088	86210	88028	63572	25413	46698	109757	106091	80351	46084	203504	34305	57162	41852	36564	139227	120262	132261	164431	211667	66696	39665	19123	13872	24279	27332	33672	35909	42068	25033	56832	33195	167697	38501	54062	43715	33164	98254	108535	57411	3292	0	0	216669	419154	0	32036	44906	69269	72810	64639	0	155145	106194	50000	56434	68660	47265	36609	119122	168256	119014	49389	102665	56544	34426	58247	35244	50575	37970	36334	34080	34290	35847	0	41513	60328	143804	47033	186259	18490	29974	117875	63674	48127	52722	59991	37968	20232	33742	77491	174775	156413	0	80549	95349	95217	83104	94762	55148	40786	57933	337474	41893	91299	0	21985	148865	Phytochemical	0.61904764	1.0952381	0.04761905
26	C21 H23 O13 N1	498.1242	498.12506	0.092682354	498.12427	6826	4554	6264	5379	6900	8344	0	0	9063	10020	3810	3167	11121	0	0	0	0	8118	7126	14301	20784	11978	0	0	0	0	0	0	0	0	2365	0	0	0	13582	0	1716	0	0	9279	13553	0	0	0	0	42342	81517	0	0	0	5334	6724	6076	0	7281	6077	0	0	2713	0	0	14082	10727	4903	0	4382	0	0	9180	7207	8647	0	0	0	0	0	0	0	0	6700	0	34992	0	3472	9282	0	0	0	0	0	0	1836	0	10158	11875	0	6384	10583	5437	3875	4753	0	0	0	44075	1734	4334	0	0	14349	Phytochemical	0.61904764	1.0952381	0.04761905
16	C21 H23 O13 N1	498.1242	498.12497	0.14887269	498.1243	205287	220394	254755	260355	310849	203767	70753	128468	382867	372881	192255	115360	480533	100622	162957	96669	68894	466599	377225	352132	439727	493639	187637	119572	80726	43492	25880	120833	144685	116601	111592	110852	182131	93562	555320	99772	146205	147888	76703	297388	243517	119116	3071	379	0	727911	910418	641	143176	103013	224216	208154	225561	399	492103	262275	148168	128553	177766	87196	144824	345106	489722	351779	126111	260069	131556	61795	170510	177569	169300	125821	107018	95862	70267	66973	906	135487	153178	280579	147283	721282	22511	105359	210767	118297	123196	116004	157836	0	86085	161485	56469	361559	420861	518	291007	264894	269037	218012	194772	135856	90308	124767	714711	39837	245308	374	57675	485502	Phytochemical	0.61904764	1.0952381	0.04761905
24	C21 H23 O13 N1	498.1242	498.12497	0.14289589	498.1243	4311	4191	5191	7076	7984	7150	0	0	13546	10968	2885	2410	22394	5251	4622	2045	1708	15027	11536	10673	21623	7677	5184	1314	1921	1997	0	1806	3093	0	2120	1300	3870	3864	10488	1829	1813	2192	2786	5847	9791	2571	0	0	0	45567	89524	0	960	0	6160	6411	7662	0	10426	10334	3088	1972	3864	3078	2609	12323	16063	11196	3273	10218	6289	1493	7510	5550	6338	2148	1464	0	2300	0	0	1248	4141	8263	2669	43682	0	3176	12749	4650	2129	4084	2786	2080	0	1769	3782	10584	16785	0	9697	6936	11833	4214	10436	0	3047	3301	62719	2979	10531	0	0	15246	Phytochemical	0.61904764	1.0952381	0.04761905
10	C21 H23 O13 N1	498.1242	498.12506	0.17102924	498.1243	29846	29863	26060	25601	26064	14294	8051	16042	41458	48481	35989	21277	64683	12270	14360	18338	24340	44368	51131	44862	66734	66414	30416	23873	3629	3542	9573	8286	12810	13374	14781	12645	17468	12189	56597	13731	17364	17184	19391	29449	51038	20558	1077	0	0	53612	125010	0	12475	18644	29840	31004	22100	0	51381	36910	14258	11645	14273	28047	17494	37527	62827	43721	18774	40640	17802	28293	22269	10926	21876	12059	13453	12786	15561	14855	0	10938	21149	38026	18598	39793	7256	8760	45757	23277	19272	20077	20083	24859	5476	9622	25922	64749	53142	0	29437	27991	36159	37798	35375	27668	15783	21443	73796	20588	38362	0	8810	60375	Phytochemical	0.61904764	1.0952381	0.04761905
8	C21 H23 O13 N1	498.1242	498.1252	0.27772275	498.12436	12033	11684	8576	13338	13830	4805	2585	5018	15392	15558	13388	6797	24616	2351	4901	7180	9390	13731	16967	14040	23016	21722	9831	6059	1453	1213	2802	0	4034	4251	3263	4218	7232	5222	26288	3216	5354	3099	8512	9112	20898	8007	0	0	0	15995	45763	0	4547	5247	12887	10516	9248	0	20812	16343	7083	5201	1505	9558	6109	8154	33125	19316	5444	14862	6481	9007	8262	2509	7149	4368	4003	4279	5661	4829	0	3035	9922	8822	5172	10102	3513	1931	20138	7389	7402	7449	7467	11159	0	0	12114	22412	16063	0	12848	9870	18064	20252	16860	7603	5784	6650	19186	5203	15476	0	3476	26331	Phytochemical	0.61904764	1.0952381	0.04761905
26	C22 H24 O7 N3 S1 Na1	498.13055	498.13135	0.5249867	498.1308	2480	0	2104	2270	0	0	6451	0	0	0	0	0	0	0	25282	7428	38035	0	0	0	0	0	0	0	0	0	3942	0	12571	9635	3250	7848	1802	0	0	12050	2060	34007	38664	0	0	0	0	0	0	0	0	0	13795	7422	0	2707	0	0	0	0	0	5128	0	0	5650	0	0	0	0	0	0	26905	0	0	0	0	0	0	10926	8047	0	3191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3033	0	0	0	0	0	0	0	0	11004	0	0	0	0	Peptide	0.3181818	1.0909091	0.13636364
20	C25 H23 O10 N1	498.13947	498.14017	0.10363644	498.13953	24962	22310	17487	13755	14549	8209	2511	3170	17910	91445	47576	2702	25264	10091	3697	4687	2511	21677	19265	50876	67741	47487	5389	6497	7235	50938	3584	36703	2148	2746	2946	0	7855	2380	123662	0	6701	5020	4867	56272	46779	4886	718	0	0	43000	44028	0	2864	1946	14939	12525	11204	0	29190	22674	8598	7459	5374	5218	5605	38070	20376	17972	5067	14579	9427	4542	44326	84082	68270	3730	3583	0	2960	1531	0	3764	8823	41166	7594	30009	4343	43403	20626	9369	13021	10683	8619	5018	16376	16339	12315	52931	69718	0	21264	17130	20630	14311	16355	8218	0	8352	29189	6205	16356	0	3501	20989	Phytochemical	0.4	0.92	0.04
26	C25 H23 O10 N1	498.13947	498.14008	0.055286173	498.1395	3782	2799	3394	2717	2399	0	0	0	3826	22828	8136	0	0	0	0	0	0	0	0	7779	13159	11825	0	0	0	5050	0	2594	0	0	0	0	1734	0	17140	0	0	0	0	6919	6550	0	0	0	0	8927	10292	0	0	0	3183	2666	3068	0	0	0	0	0	0	0	0	5082	4795	4177	0	3509	2302	0	7512	9783	11521	0	0	0	0	0	0	0	3673	5642	0	5554	0	3998	0	0	1584	0	0	0	1954	1772	0	14087	20564	0	3717	0	3863	0	0	0	0	0	0	0	0	0	0	5577	Phytochemical	0.4	0.92	0.04
22	C25 H23 O10 N1	498.13947	498.1401	0.118617505	498.13953	12797	11326	7336	13173	13214	6259	2022	3220	15402	61077	34476	0	13624	7149	4603	3416	0	16294	12490	36025	35457	32358	2635	3636	4125	24906	1673	24770	0	0	2428	0	3720	2877	65622	2196	4312	2350	2153	29242	26234	5458	0	0	0	26354	32093	0	3140	0	13535	10372	10023	0	13558	10214	5145	2928	4588	6731	2652	23604	19000	13918	4862	9091	5006	2394	28615	38050	45043	0	1591	0	0	1446	0	0	6650	23590	7315	19114	2401	18493	14126	6845	6904	6085	5185	6355	7551	9930	4516	40264	48684	0	10617	12573	9182	13126	9459	6127	2842	7053	26599	4930	10013	0	4629	13911	Phytochemical	0.4	0.92	0.04
16	C25 H23 O10 N1	498.13947	498.14026	0.13890457	498.13953	20015	18790	11813	12868	12934	4806	2608	4667	20910	80531	45715	1203	20606	6083	2807	3625	0	19196	12782	46135	53885	34131	5257	3360	4258	56449	3405	32844	1590	1959	2701	0	4852	0	96908	1934	6825	2346	3279	34777	31190	6579	0	0	0	24170	38656	0	2124	3538	17760	14343	11415	0	13538	15341	5327	3120	4289	2968	0	23072	24487	12602	4645	11114	7577	3913	42255	72512	59951	3596	0	1301	4372	3332	0	1664	7879	29766	8159	19841	4581	25341	13402	4455	10420	5457	4192	0	7243	11885	0	40219	54587	0	11851	15465	10774	13828	12364	4993	3078	6053	17032	0	11300	0	5049	17916	Phytochemical	0.4	0.92	0.04
24	C25 H23 O10 N1	498.13947	498.14008	0.061970714	498.1395	4256	4753	7493	7615	5514	5472	0	0	7350	34450	8768	1119	9026	3729	1698	0	0	10081	6871	12776	20723	21153	1362	3961	0	12265	0	6855	0	0	2084	0	1028	0	38123	0	4029	0	1309	12337	12287	0	0	0	0	19740	23567	0	0	0	4447	6516	4346	0	8023	5605	2979	1034	1397	1798	2323	12374	10692	8376	2806	6194	4488	0	15675	20637	22330	0	0	0	0	1063	0	0	6439	13473	1757	13473	1842	7662	5965	4232	4574	2486	1772	2951	1835	2548	5049	23322	26994	0	8304	3030	4511	4633	4750	1378	1547	2410	11704	1966	5684	0	0	10825	Phytochemical	0.4	0.92	0.04
14	C25 H23 O10 N1	498.13947	498.14032	0.14682989	498.13956	10040	10273	4642	6003	9034	5652	0	0	10428	51387	26335	1587	6834	4856	1973	0	0	6312	7811	28581	29155	20020	4063	4089	2384	33790	1721	16302	2744	1338	0	0	0	0	60368	1498	2127	1612	3350	21872	13876	1910	0	0	0	12906	18961	0	2260	0	6918	10803	6034	0	11565	6517	2435	2972	0	0	0	18090	14302	6187	2712	7819	3297	2066	28908	44114	48326	0	1770	0	1966	0	0	2190	5891	17952	3941	14272	2334	15482	8765	0	7637	5143	1877	0	0	10199	6127	33040	24308	0	7137	6782	6391	9321	8758	0	2434	0	0	3110	4839	0	2167	7670	Phytochemical	0.4	0.92	0.04
18	C25 H23 O10 N1	498.13947	498.14023	0.14321738	498.13956	20382	18116	22105	21584	17880	13249	2640	5081	24786	107708	57900	2814	26874	10914	4468	4531	2825	19534	13131	61144	69970	54457	7786	5889	3588	55171	5263	39935	4843	1741	4276	0	5215	0	115347	2137	7197	5470	3538	59435	39551	7828	592	0	0	31232	39909	0	5267	3309	17219	19619	9558	0	21678	14978	3662	5764	6242	5201	7343	33344	36735	17612	6189	16060	9504	7866	47181	79775	86399	3628	0	0	2248	0	0	3842	10082	46937	8394	32906	3703	37282	13962	10611	10817	8393	5653	8359	12384	23025	11076	41796	78383	0	19063	18663	17100	14744	16136	4702	4244	6329	22525	6267	10429	0	4335	25305	Phytochemical	0.4	0.92	0.04
22	C22 H27 O12 N1	498.1606	498.16132	0.10610623	498.16064	28639	36517	33896	43721	39785	38963	12176	35497	44223	62789	24611	22257	59580	16797	32841	28394	16139	63057	39490	75932	78972	37695	30008	31342	23208	39186	9367	16670	30291	21778	25788	28537	16211	27339	68623	32402	24983	20919	12791	51273	41864	18549	0	0	585	153709	170407	0	23652	30851	36122	40548	29782	539	60580	32775	19063	23156	23416	13801	26686	50323	48418	35977	16345	37502	24095	11456	50025	52260	51531	34344	25181	29854	18537	22675	532	25839	26116	24314	28067	100003	16476	32096	44447	33278	14904	13214	22012	10550	15784	22939	25665	30360	45453	0	34287	44771	41156	23684	30528	22743	21233	33684	120732	24284	36909	0	15487	59518	Phytochemical	0.54545456	1.2272727	0.045454547
8	C22 H27 O12 N1	498.1606	498.1615	0.13535123	498.16068	26597	24668	18536	21335	13067	9119	11063	24206	20939	46210	26586	14762	31875	4792	15605	20646	22527	18870	29205	37602	48647	41455	20383	26180	4445	9033	10993	8595	18090	16062	14522	18979	20504	12109	52908	17648	20217	12949	23201	32029	41876	14584	0	0	0	33382	55344	0	18348	19717	23070	27228	15013	0	25630	17574	9808	14348	16608	20555	26362	26255	29351	20181	7186	21163	11363	26782	16035	13695	15468	20462	20352	18483	13971	15635	0	15920	17400	21944	14222	21650	11970	14515	23554	12562	14571	11603	14459	19609	0	9819	26056	29934	37918	0	26330	25166	16534	16776	20430	21224	15416	34814	18352	19690	20253	0	9140	28214	Phytochemical	0.54545456	1.2272727	0.045454547
16	C22 H27 O12 N1	498.1606	498.16135	0.13615821	498.16068	212382	187988	194721	192681	170436	139290	99150	227327	187058	373634	170073	107276	291155	93907	180387	164597	110822	317140	308871	462829	458103	320732	199296	182554	136536	165554	84442	117652	191102	176998	168825	161442	188479	133187	449396	194933	185388	133131	82991	316323	188411	125023	6738	1208	671	627996	598866	770	159170	185354	204166	201513	140657	1077	275133	158226	94834	151083	198348	90323	215927	232303	250188	180840	90037	171722	141810	88057	228244	250769	216975	184297	172672	207998	114008	146318	502	134848	137629	206482	110421	392401	123743	172998	193513	125751	109214	96338	116428	81042	126589	182087	230610	189809	323880	2004	191395	235425	165462	99794	137364	193881	109266	191906	454725	166269	171849	880	93637	249060	Phytochemical	0.54545456	1.2272727	0.045454547
28	C22 H27 O12 N1	498.1606	498.1613	0.11796241	498.16068	10104	8876	9623	5524	6433	6293	2128	5118	7952	28511	5589	2012	11367	2652	4892	3913	0	12281	7587	34746	27539	6604	4051	7111	2240	9328	1519	3495	3509	6135	4309	3852	4918	5722	23488	3791	5091	1711	4691	16600	13592	0	0	0	0	32268	42520	0	4544	7072	9050	7136	4680	0	8694	5153	2803	3480	2812	2957	5189	13076	8154	4390	2193	8145	3812	3548	14079	25591	22184	3693	3745	7909	3934	4198	0	3890	3484	6482	3950	20380	3749	10514	7703	3823	3086	2508	2417	2767	3895	4733	5872	6182	11464	0	8216	9685	6931	4255	3566	4396	2721	6597	24645	3880	5110	0	2067	9178	Phytochemical	0.54545456	1.2272727	0.045454547
24	C22 H27 O12 N1	498.1606	498.16125	0.11479287	498.16064	16758	10246	14308	17150	11560	17248	2753	13164	16457	40451	7785	9822	32344	7999	11097	7610	6560	28537	20442	39060	43433	19547	14385	15727	5772	13687	5635	6515	8427	6998	7570	6831	6525	6686	28606	11876	8240	7521	4756	28601	17653	6775	2191	0	0	67861	88065	0	10195	13046	13951	17218	12357	0	20241	15896	5327	9676	8678	6497	9600	25278	16960	14158	5947	16119	6234	4553	25980	33213	30196	10188	10968	11509	9838	8064	0	9007	7899	10558	9094	45257	4743	13995	19105	7443	5144	4991	7512	4318	7104	7859	11202	18123	27830	0	17726	17659	13016	11027	8920	7309	6407	12119	54465	5443	14377	0	5560	30578	Phytochemical	0.54545456	1.2272727	0.045454547
26	C22 H27 O12 N1	498.1606	498.16122	0.056088153	498.16064	7876	6056	7101	8394	8807	8518	0	5729	7508	26536	4288	3972	12760	2452	0	0	0	15319	5457	26897	35308	10572	0	5671	0	13759	0	3691	0	0	5689	5181	5134	6308	20316	8603	5266	2910	3514	15149	16997	0	0	0	0	39373	57880	0	4717	8120	11358	9631	7169	0	6830	7001	3193	3289	5392	3436	0	11633	9937	5911	2251	7902	4126	2552	15553	24590	19967	7215	6873	6515	0	3718	0	0	5676	6705	5070	24774	2656	11968	11484	0	2596	2795	4286	2549	2931	4157	0	5046	13664	0	5346	6992	7469	3424	0	4678	4025	5768	32696	4146	6704	0	0	13104	Phytochemical	0.54545456	1.2272727	0.045454547
10	C22 H27 O12 N1	498.1606	498.16144	0.12418854	498.16068	64841	61087	50410	57579	41193	30685	32183	60571	49505	108812	64230	38811	66106	15955	44759	61966	46763	66004	62795	108294	114206	97742	53371	73291	25951	42810	31464	27557	50739	54453	52344	49593	57694	40400	129776	57681	57114	33921	53043	77262	84848	33517	1354	0	0	112206	150849	0	48266	55008	59871	54028	30798	0	64903	37146	20972	54148	56953	52260	53865	64603	59302	59232	26500	46226	34161	48300	70864	48517	61123	53113	44477	56397	39608	47481	0	34045	43644	53963	39521	69241	36916	39519	49971	29874	36054	27706	35869	46227	29378	39932	70836	69151	87260	0	63764	67650	34544	35716	33953	61296	33433	75634	102438	46941	39401	0	31166	59701	Phytochemical	0.54545456	1.2272727	0.045454547
16	C20 H27 O8 N5 S1	498.1653	498.16602	0.25028142	498.16544	0	0	0	0	0	0	7302	5596	0	0	0	4504	0	0	0	7280	0	0	0	0	0	0	1472	0	0	0	16100	0	3676	7500	0	0	0	0	0	3227	0	0	2159	0	0	0	0	0	0	0	0	0	3531	6170	0	0	0	0	0	0	0	3237	0	0	0	0	0	0	0	0	0	0	0	0	0	1705	2401	4078	51877	3587	0	0	0	0	0	0	0	0	0	0	0	0	1317	0	5528	0	0	0	0	0	0	0	0	0	0	0	2207	0	0	0	0	0	1300	0	Peptide	0.4	1.35	0.25
6	C21 H27 O11 N3	498.17184	498.17282	0.13666098	498.1719	12008	7619	9697	9107	4553	4356	5042	11427	7898	6800	5406	8288	10965	1829	7557	13835	11501	10383	10317	5490	9059	19664	8281	16491	3679	0	4073	0	10860	6796	8798	10927	12774	9590	12268	8653	10576	6669	16359	7197	10062	6181	0	0	0	11549	14290	0	11777	10441	10166	10351	5512	0	12013	4975	3874	14302	6370	9633	13015	5457	14021	11132	5535	10773	7608	15991	0	0	0	9101	9174	7090	5890	7056	0	6091	8135	0	4745	4985	4490	2101	7017	3672	8219	9120	8301	21744	4958	10345	21017	5937	5111	0	9920	10755	3060	6689	6753	15923	6855	12061	0	14988	5897	0	4882	14534	Peptide	0.52380955	1.2857143	0.14285715
12	C21 H27 O11 N3	498.17184	498.17267	0.13891573	498.1719	14727	15917	10178	14489	7494	9728	14103	23625	8719	9111	4681	14297	10943	1818	17911	17990	11653	12916	14784	16003	10216	29157	19558	21746	12046	0	10699	0	18976	13008	20152	15175	30831	16388	17012	14228	20615	15306	15243	13700	7335	11760	0	0	0	14061	8342	0	19972	14646	12488	13947	7471	0	19748	5520	6675	18262	20725	13310	0	13861	12431	11415	3915	12087	12779	14048	0	3584	0	18603	14171	17349	10180	12773	0	16857	14195	0	12140	10663	11686	5520	5241	9727	13074	10765	11417	24969	9302	26707	38503	0	6106	0	9879	16097	0	4367	4475	22891	15732	15887	23535	17856	4499	0	12466	21097	Peptide	0.52380955	1.2857143	0.14285715
10	C21 H27 O11 N3	498.17184	498.17264	0.13268255	498.1719	21709	20836	19736	20417	6716	10123	13160	31294	11836	18300	7021	14952	16759	5174	18979	19977	17599	15527	21214	17249	14001	43408	23867	30611	13092	0	11458	4808	18880	18960	20747	23060	30021	20063	21983	13086	29667	16635	24969	15450	16388	13293	0	0	0	20868	15852	0	22734	21976	19460	23031	9386	0	26052	5824	7163	26340	23643	13336	25338	12670	19982	15924	8590	14860	17570	22510	0	2877	5370	22135	16956	14417	16445	17542	0	16682	16265	7656	13446	14156	13595	5422	9336	7203	14574	12355	12290	29460	12241	31899	54657	10162	13045	0	17919	23279	5864	5207	7553	25193	16541	26387	0	26980	6049	0	12761	22740	Peptide	0.52380955	1.2857143	0.14285715
26	C26 H27 O9 N1	498.17587	498.17645	0.03661118	498.17587	3546	0	2610	4748	4984	0	0	0	2724	14362	9373	0	0	0	0	0	0	0	0	7654	11834	5951	0	0	0	11939	0	7950	0	0	0	0	0	0	15566	0	2052	0	0	7845	8177	0	0	0	0	10585	0	0	0	0	3762	4012	0	0	4280	0	0	0	0	0	0	5939	3381	0	0	3284	2685	0	15057	14915	23254	0	0	0	0	0	0	0	0	0	0	4554	0	4154	0	0	0	0	0	2400	1861	2774	0	7068	8330	0	4288	0	3812	2677	0	0	0	0	0	1925	0	0	0	4672	Phytochemical	0.34615386	1.0384616	0.038461536
18	C26 H27 O9 N1	498.17587	498.17654	0.07785491	498.1759	24265	21182	22451	23840	17177	14748	6806	9199	15419	90786	72285	6405	18831	14711	5826	15197	5202	14928	22741	83872	78815	32058	11268	18131	10946	84836	5846	55520	0	9095	6027	9602	12109	8906	102101	6023	12218	8561	8873	55598	52857	9717	460	0	0	32514	32169	0	11120	6444	26324	22964	13064	0	15541	17985	6602	18640	10199	8784	8631	42378	22648	12667	5113	22923	16642	7284	71786	114973	120800	5783	6337	4398	7579	10585	0	4776	15111	34502	10910	19180	10599	37649	21176	7314	19247	10045	11787	17565	22911	23562	22107	32043	52551	0	27772	18839	14884	15827	15231	10509	5670	13628	15932	12150	12821	0	10441	21830	Phytochemical	0.34615386	1.0384616	0.038461536
12	C26 H27 O9 N1	498.17587	498.17664	0.047092807	498.17587	3304	3469	5431	2943	3309	2172	2763	4731	4619	26025	9104	2748	3975	2262	1840	2187	0	2424	2792	21372	29127	8900	1734	0	2593	24403	0	19115	1507	1329	0	1273	3613	1599	36497	3057	2521	2007	2131	13938	19777	2361	0	0	0	9746	4569	0	2923	0	3896	5163	4172	0	3378	1639	1091	3005	0	0	0	8743	3314	3041	1536	2942	3147	0	0	36689	33960	0	1149	0	1231	0	0	0	2360	0	2101	5014	980	6101	2724	3418	4081	1726	2686	8250	4570	0	3848	7004	10829	0	3313	3915	1900	2813	1816	0	0	4174	0	2987	2821	0	3272	3408	Phytochemical	0.34615386	1.0384616	0.038461536
24	C26 H27 O9 N1	498.17587	498.17648	0.05832755	498.17587	12693	9043	7723	8212	8490	7149	2653	3645	8805	38218	22640	1774	5365	4714	2507	4301	2759	8943	12713	19607	31858	17597	3628	3762	0	27080	0	16639	4885	0	4022	1875	3976	1815	38461	2032	3308	3174	2514	27220	20503	4699	0	0	0	24250	23525	0	2705	1856	9330	10848	6692	0	6949	5647	3390	3882	2893	2592	3020	14568	8912	9055	3710	12111	6579	2201	37761	38827	47516	3839	1425	1679	0	2623	0	2537	6168	11878	5308	14060	3906	17133	9541	6025	5367	3931	5580	3220	6197	7390	5145	17980	21335	0	6185	6207	5761	6973	5434	4330	1880	4091	11585	4895	5891	0	4108	10568	Phytochemical	0.34615386	1.0384616	0.038461536
6	C23 H31 O11 N1	498.197	498.19794	0.16039544	498.19705	8003	9591	8357	9722	7077	4381	4808	10463	6799	15758	4992	6231	12387	2011	6487	12046	7219	7000	9426	13136	14985	17719	6671	10596	2446	2944	3121	6264	9382	9825	8738	11334	11443	8293	21632	9339	8552	5253	6471	11452	9159	4373	0	0	0	9604	12813	0	12962	8809	8213	9245	4921	0	8441	5099	2935	7987	7274	6771	10090	5931	10539	6971	2322	6836	5970	10518	3211	5927	6082	8364	7935	9089	3954	7791	0	5749	5628	5142	4731	5698	6470	4315	6252	3273	5542	4706	4496	10242	10725	10915	14206	7697	8449	0	8135	9182	3928	6747	7363	9522	5133	10293	0	6035	4949	0	4616	10611	Lipid	0.47826087	1.3478261	0.04347826
24	C23 H31 O11 N1	498.197	498.19763	0.07143019	498.19702	31313	31172	31806	34945	34072	25725	8475	29680	37022	87959	19714	15988	50160	14796	25284	25360	14074	50133	40624	72994	70887	27768	33501	36899	20602	42749	8970	14809	22905	28750	25867	21620	26508	27847	60331	25091	30467	17606	12322	48802	28341	13749	0	0	0	81281	61658	0	26529	28538	35381	26645	20374	0	41922	26426	16803	24348	19609	8810	23278	40657	0	36426	8274	33240	15805	11144	46535	80940	54864	32257	26133	28149	16617	19983	0	22409	30861	11264	21336	47998	14896	27185	37421	13791	18168	13499	14825	12347	17674	22113	32755	17793	35135	0	30592	33769	22288	20004	21874	19117	14261	30228	54062	21073	25286	0	14662	50698	Lipid	0.47826087	1.3478261	0.04347826
26	C23 H31 O11 N1	498.197	498.19766	0.060547803	498.19702	9072	12394	10629	11517	9999	13217	1946	14999	10035	35753	6338	7998	25646	3095	11232	12317	0	20175	13641	46343	37928	11617	8602	12915	0	16574	2879	8326	11112	0	7930	7152	9064	8138	30869	8370	11918	6359	7080	20818	10196	0	0	0	0	31876	39134	0	10832	11021	14836	9573	8298	0	12353	8626	3060	9454	8054	0	8148	14023	17955	13503	3095	10140	6702	3788	17106	42937	28675	13919	10795	11599	8577	7111	0	7686	9815	0	6044	15994	6119	10501	11956	8559	7836	6187	5733	3791	5191	9513	10981	4612	12870	0	11100	15796	9021	5849	7824	5999	4611	9174	22635	8095	7433	0	5335	21686	Lipid	0.47826087	1.3478261	0.04347826
28	C23 H31 O11 N1	498.197	498.1977	0.14077018	498.19705	5673	4738	6418	7642	6427	3792	1976	6192	5604	25357	6511	1804	11138	2420	4817	5420	0	10734	7223	25691	26293	5888	4981	6565	2230	16905	1693	4736	4157	3911	5213	4691	3431	5001	20744	5331	5488	2553	2859	13722	7346	2979	0	0	0	14938	17421	0	5558	5320	6313	5535	4277	0	5745	3341	2022	3434	2873	1496	4759	7269	7099	4577	1655	5761	2573	2436	12077	29826	20899	5463	5362	6001	4553	4306	0	3094	3963	2784	2429	7678	3780	8216	5777	2784	3739	1275	2114	2459	4191	5588	4585	1974	6479	0	6254	7604	3407	2587	3008	4501	3240	6682	7437	4137	3139	0	2347	8905	Lipid	0.47826087	1.3478261	0.04347826
12	C23 H31 O11 N1	498.197	498.19778	0.08754993	498.19702	83247	83135	87686	77980	53332	47067	76254	151079	67067	131771	75497	66596	72671	25658	88567	82448	94638	84941	97380	174501	177834	144986	101294	124249	77039	109201	45689	50512	119947	104931	85823	90666	116341	87625	201814	107136	77677	81184	84255	120797	107086	54459	1949	0	0	146610	156939	0	85335	120334	83275	86184	49685	0	95593	58730	33153	79745	119552	94074	117045	103413	75843	59128	33032	57027	51025	69119	119577	136380	110642	95716	95596	113543	67894	83396	0	75659	73489	74884	78184	89488	75178	79174	66955	51179	68960	41470	60819	108998	60973	91532	132643	79325	79888	0	83170	114126	53255	44999	52102	112917	63371	130358	135216	82572	58577	0	68273	78626	Lipid	0.47826087	1.3478261	0.04347826
8	C22 H31 O10 N3	498.20822	498.20908	0.14344935	498.20828	12357	10422	13201	13803	4580	5447	7994	17140	5684	11255	2665	6231	10888	1944	12005	15187	8609	7922	11956	12544	8169	18624	10396	17002	12089	765	6265	2142	16327	11993	12397	15324	16612	12264	17106	15608	19648	11088	10441	9481	5882	6479	0	0	0	12943	6949	0	19894	12508	10513	12353	4473	0	10215	2922	3280	18146	10259	6634	12914	7415	8630	8223	2683	10619	6930	9330	0	2112	0	12557	14454	11196	7115	10933	0	8169	9807	4589	7426	3836	8487	3253	3101	4588	12435	4655	9021	18046	16346	24783	30687	7699	5867	0	14839	13554	2829	3242	0	12685	7486	19781	6671	13258	3033	0	9244	8571	Peptide	0.45454547	1.4090909	0.13636364
14	C22 H31 O10 N3	498.20822	498.209	0.19819023	498.2083	8867	8337	0	7456	1941	4273	7474	7821	2133	0	0	3278	4537	0	9767	6391	0	5271	5329	4067	0	0	6470	6918	8541	0	3308	0	10526	6263	11511	0	10242	6704	8769	13447	8332	6705	5613	4957	0	0	0	0	0	7507	0	0	8463	6292	0	9769	3117	0	2575	2571	3089	11212	0	0	0	4200	3345	1970	1531	2805	0	2363	0	0	0	8473	7626	10540	4875	0	0	4200	5195	0	4645	3024	7638	0	1545	4928	5354	2835	4950	10216	11451	19041	20901	0	2522	0	6421	9301	0	0	2027	10654	4511	8926	0	7417	0	0	6504	6025	Peptide	0.45454547	1.4090909	0.13636364
6	C22 H31 O10 N3	498.20822	498.20917	0.15617572	498.2083	7787	10025	9413	8195	3400	3606	5520	11665	6959	8004	1585	3995	6896	1015	6469	11396	7384	6022	7115	7350	7664	12791	8206	16613	7945	0	4830	0	11163	7098	11226	12375	16988	9334	10334	8733	15999	7986	8020	6463	4974	4621	0	0	0	9812	4523	0	12273	7894	8020	10679	4298	0	10505	2837	3548	13355	8113	4451	13131	4005	7637	5939	1626	5997	9247	8694	0	2183	0	9342	8315	8526	4036	6530	0	5858	6824	0	5007	3169	5365	2283	3300	3817	7229	5571	7377	15962	15947	16402	26386	3676	3966	0	8436	7516	2289	3193	3200	12192	5337	9938	0	11539	3220	0	7801	9026	Peptide	0.45454547	1.4090909	0.13636364
12	C22 H31 O10 N3	498.20822	498.20898	0.18322304	498.2083	6951	8301	8188	11137	2789	3753	11576	18884	3850	4951	0	5124	7301	0	12497	8681	6491	7291	9546	7544	4408	14371	12800	12156	13736	1293	5664	0	12739	8161	11107	15710	15451	10211	10601	10973	14058	9472	7540	7310	0	4959	0	0	0	8940	0	0	7028	7519	10387	8231	5638	0	10523	1574	4004	14548	12371	0	0	6807	6972	5285	2481	4392	7109	7554	0	4331	0	13452	11931	10310	5029	7569	0	11050	7566	0	8883	5936	12206	4393	2723	2749	8505	5716	6346	14171	17937	22734	32851	0	4771	0	11768	8109	2176	1827	0	11738	6830	11179	0	15972	2153	0	11646	6927	Peptide	0.45454547	1.4090909	0.13636364
20	C27 H31 O8 N1	498.21225	498.2129	-0.00370691	498.21225	30939	33758	29368	24960	15238	16227	8744	19690	20090	61271	58980	9251	19330	17701	19506	31653	18366	15127	25898	79244	68533	45137	17233	33568	18504	102652	12928	53792	19548	17506	17618	16702	24964	20681	68965	18299	22183	12219	19075	66135	70388	14523	0	0	0	36200	36349	0	22540	17250	25202	34541	22142	0	18131	14263	12693	28002	15995	19332	27156	42022	22258	17313	10072	19529	22843	19641	85127	118219	119991	19573	21059	12877	17694	17446	0	13577	24299	36607	17473	19425	18053	41707	14830	17637	23292	19333	17563	41382	31158	38805	55562	28973	46314	0	32315	31312	16476	16791	21410	23293	11989	29844	17388	30261	11690	0	22947	23920	Phytochemical	0.2962963	1.1481482	0.037037037
24	C27 H31 O8 N1	498.21225	498.21286	0.010822444	498.21225	17008	18097	12647	15083	17470	9672	4252	9063	15453	48156	41068	4973	13489	7839	5940	10666	7948	14301	16752	41568	45441	20594	10250	15630	7141	62014	3064	44827	8393	8442	7451	8966	10839	12061	51648	8731	12683	4861	6791	37531	38207	11453	0	0	0	23805	26886	0	9766	8353	15004	15521	14581	0	12267	14353	6048	12616	12613	8637	15987	26062	11492	15120	7546	13165	14152	7378	67642	74046	84803	10059	7263	4418	4784	5497	0	5766	11381	11069	8715	15998	7341	34735	18722	7176	7605	12477	11071	13130	8968	13893	18350	19255	22913	0	17223	20526	11780	12832	10367	12428	5215	14709	13754	15185	10227	0	11824	14689	Phytochemical	0.2962963	1.1481482	0.037037037
16	C27 H31 O8 N1	498.21225	498.21295	0.017460741	498.21225	14955	13227	7949	14064	5409	5855	4137	6666	2813	29803	20795	4688	0	5015	5110	13680	9983	6050	6399	32868	33869	11947	5908	9027	5238	37014	6241	18258	7856	7119	7604	9155	9334	5663	33843	7819	6518	6079	11728	19774	20846	9136	0	0	0	15190	12490	0	5809	7613	10769	17789	4791	0	5945	4078	3870	8665	4588	6676	14384	11217	6313	2842	3277	6233	8189	14270	32338	49792	49196	7154	3936	4250	11136	7884	0	3599	9520	13562	5900	5729	5867	18058	9393	2873	16632	4943	8992	28052	13916	11998	0	10450	15120	0	8996	13340	5982	4722	2341	6260	4164	8632	8573	0	5780	0	9153	7503	Phytochemical	0.2962963	1.1481482	0.037037037
18	C27 H31 O8 N1	498.21225	498.21292	-0.02202733	498.21222	24250	21424	23005	21569	16420	4511	10720	15941	13393	38959	36331	11645	8601	10333	12775	22303	14238	11423	16320	55169	60996	26037	15122	18021	11451	66131	9617	36778	17407	12304	13268	15793	16499	17446	47561	10524	12095	8047	18083	43471	47249	6759	0	0	0	18290	13290	0	15860	12505	19491	17731	10029	0	11402	7162	8728	20300	9930	13308	15525	26903	10031	11140	7638	18950	11186	19669	45691	84700	94815	10170	9237	13860	13677	21250	0	5968	18033	21269	14688	12177	13349	33367	11212	10520	22176	10097	11062	27329	22014	21928	35212	20057	27981	0	21599	20226	7981	10192	12352	21216	11457	17178	9012	15356	9725	0	13999	10919	Phytochemical	0.2962963	1.1481482	0.037037037
26	C27 H31 O8 N1	498.21225	498.21283	0.04564098	498.21228	4905	3767	5519	4982	3088	0	0	0	7651	12481	13694	0	3890	4387	0	0	0	0	9343	12111	13764	5205	0	0	0	24335	2720	11666	0	0	0	0	4326	0	17527	0	3114	0	0	13244	11668	0	0	0	0	9521	6991	0	3244	0	5662	3891	2442	0	0	0	0	3748	3256	0	5229	8495	3164	3961	0	5916	6058	0	28298	22517	38975	0	2757	0	0	0	0	0	2581	5973	3619	4293	0	11480	0	0	6276	0	2752	4240	3399	2184	0	9056	7122	0	5293	8842	3491	5199	0	0	0	0	0	3952	0	0	0	2897	Phytochemical	0.2962963	1.1481482	0.037037037
14	C27 H31 O8 N1	498.21225	498.21295	0.03429348	498.21225	4867	7775	5306	6992	1894	2323	0	2414	1286	23598	14156	3129	0	2674	3091	6360	3201	0	3086	25254	23218	11556	3865	4648	2693	30357	4344	11078	3605	2353	4266	8245	4119	1978	26345	4079	0	2677	4285	14501	17819	3316	0	0	0	8059	14140	0	6044	4530	8374	3308	3595	0	4234	1950	2740	2750	0	0	0	7003	2091	0	806	2311	3294	6857	20405	36103	28443	1929	3531	2892	3804	4149	0	1830	4774	0	2878	2478	4340	8780	1874	2837	6056	3321	2303	16614	8862	6531	13142	4452	16020	0	3026	6637	2531	3108	2289	6841	2976	3226	0	0	1879	0	4102	2334	Phytochemical	0.2962963	1.1481482	0.037037037
26	C24 H35 O10 N1	498.23337	498.23404	0.026589697	498.2334	17471	13249	16070	14695	10880	14052	2912	13884	15886	41100	11863	7362	28369	4401	11514	10937	8457	23661	25276	33882	44656	15049	10997	22897	8473	21031	3735	9611	12999	10690	12215	13272	12508	14829	44366	16790	15012	7700	4817	23032	12823	6419	0	0	0	24083	20662	0	11432	13623	19413	16842	9177	0	31323	14834	7110	18085	9688	3596	13641	12913	23952	19021	4537	19088	11636	6213	25091	52031	39718	17760	14340	16975	10932	9935	0	10673	13568	0	14081	8439	9596	13160	13682	10584	7935	7970	7719	8195	9540	11147	21548	4729	13826	0	17473	23611	11823	9379	8054	7533	8567	14837	8752	10797	8242	0	8086	24953	Lipid	0.41666666	1.4583334	0.041666668
18	C24 H35 O10 N1	498.23337	498.23404	0.052530665	498.2334	327414	284303	300230	262738	217080	202354	177917	479630	227237	417910	221611	210712	352463	119520	331815	359455	190034	381996	444748	635374	512115	278887	342062	446709	289609	359432	165221	227489	435484	379672	350334	361809	341413	339902	450753	416726	361095	235360	174216	350649	190780	220059	7414	515	0	388633	228878	521	337477	366383	275261	281753	0	1206	388986	215268	143069	311869	305228	154122	382999	207730	270526	224972	121089	241081	186183	180636	298038	470674	346085	360781	301452	416785	235248	347278	0	258081	253636	166362	244648	203407	234814	190177	265729	197182	221333	163833	205443	150633	282546	351992	495759	137842	264259	2139	304467	340345	189140	159940	202080	388556	211482	417945	202911	277145	192404	500	224968	277759	Lipid	0.41666666	1.4583334	0.041666668
10	C24 H35 O10 N1	498.23337	498.2342	0.14769216	498.23346	19882	20337	17036	10837	9093	7473	10549	28396	9243	21620	7784	10556	17227	3639	15743	20632	11602	7757	14134	33076	26144	19418	15037	28914	12539	12001	8479	8021	22003	21582	16074	22501	22504	14463	30460	19801	25599	12749	14099	23745	11612	10857	0	0	0	21166	16531	0	22941	21452	18216	18003	6443	0	15862	7867	4785	22725	14134	9717	22963	10374	9908	8123	5050	11265	8080	13185	0	17882	12380	18691	17750	24528	11908	18632	0	12107	13343	8951	12181	7362	13164	10390	6158	8797	12367	4909	8735	15432	20921	22378	26873	7406	13892	0	16545	17689	6531	6982	6903	20748	12994	30361	0	19297	6500	0	12068	8570	Lipid	0.41666666	1.4583334	0.041666668
16	C24 H35 O10 N1	498.23337	498.2341	0.03538694	498.2334	164663	174467	169847	161902	110000	94174	128678	272350	123185	197042	108226	132305	156332	62713	214103	249723	150437	180144	216439	324245	268088	157223	199942	252290	174173	218965	107903	101849	250374	255924	223116	213817	202408	190540	222939	240326	200459	139981	143180	174663	124755	127884	3771	596	369	200837	161590	0	278293	240496	172541	165174	108322	1206	175102	115827	79102	207917	180333	118294	277457	125942	141680	118570	78403	116801	109263	123121	173728	236952	193398	224230	224004	264461	201433	204761	0	148770	164902	104992	131756	108327	145423	106069	139820	101040	147399	95335	118376	132328	151272	184436	258087	84553	161854	1453	172196	218892	100664	83220	120644	237129	142824	288200	116008	193836	125907	0	131866	145523	Lipid	0.41666666	1.4583334	0.041666668
6	C24 H35 O10 N1	498.23337	498.2343	0.090284765	498.23343	11964	10256	10044	9546	3122	5610	7712	17368	4340	21572	4452	6806	6548	2544	10766	10998	7080	5278	7326	15608	12672	15458	10088	12828	6502	4676	6270	0	14042	13140	12762	11456	12690	11156	19982	12528	13910	7166	11718	10672	7588	5200	0	0	0	9356	8294	0	15796	13666	15226	12202	3142	0	10380	5228	1790	12826	5486	4224	12022	5274	6612	5228	912	5418	6146	9722	3468	7990	7172	10714	11862	10112	7296	12306	0	7434	7136	0	5264	3842	6722	7386	3996	4892	7244	4078	5314	8860	7826	21484	21850	5938	7546	0	8456	11736	0	4794	7230	14886	6526	17876	42034	11804	3118	0	6218	10620	Lipid	0.41666666	1.4583334	0.041666668
12	C24 H35 O10 N1	498.23337	498.23416	0.086474344	498.23343	26920	25104	26775	28322	16932	13491	29014	53713	12968	28028	23117	22781	22637	8529	34520	28201	38403	22404	30521	51744	41184	34675	42418	45898	31280	27473	19992	12983	48541	35726	36982	32709	43283	26062	46586	44934	30828	29354	35009	32194	20405	18584	492	0	0	42392	26172	0	30357	38794	22822	29009	15858	0	26482	16309	13384	37369	31130	26831	31049	24273	16959	17460	8915	20204	17086	36372	20816	31561	32356	27059	35820	50467	27680	31362	0	28500	33123	20510	26717	22911	29674	18632	19091	13940	31094	14537	17943	36148	31748	34167	46947	15782	18929	0	28045	32324	18453	13685	16198	33588	25267	39856	0	31721	18359	0	29460	22541	Lipid	0.41666666	1.4583334	0.041666668
28	C24 H35 O10 N1	498.23337	498.23404	0.04247959	498.2334	5239	4831	5600	5123	4549	3533	1774	4927	4177	16424	4594	3359	9656	2737	4516	5900	2859	6127	8671	16827	16798	3882	4167	6090	3259	11111	2238	5564	5227	4310	4499	4719	4670	6456	17193	4648	7062	1657	2249	7733	4725	2298	0	0	0	7175	5403	0	5021	4771	6830	5523	4483	0	7206	2704	2705	6977	3174	2736	5357	2836	9776	4002	2089	5504	4160	3416	8349	27193	18653	5691	4049	5041	4317	2912	0	3579	4529	2684	2479	4721	4294	6823	5137	3219	4935	2245	2899	2248	4306	5158	6561	1863	3189	0	6543	5996	2938	2237	3780	4555	2104	5212	2566	5318	2997	0	2270	8134	Lipid	0.41666666	1.4583334	0.041666668
20	C24 H35 O10 N1	498.23337	498.23404	0.06580685	498.2334	336672	328268	333527	306594	249961	264417	180419	483814	297688	571953	242042	188243	402503	158853	399005	329598	156795	440468	494598	687465	607469	326554	350403	464711	368136	375978	146530	212593	448465	367033	357037	342810	388068	336357	649139	396025	432462	255050	153798	433221	186989	236547	8186	773	458	465381	246653	665	351968	375710	321316	326266	239837	1382	436593	242693	152357	335751	378817	126488	405034	274115	0	312282	141766	277572	216487	147539	292527	613095	361991	425148	365788	442375	204986	322395	0	304338	265884	151131	244477	200226	244424	254067	262967	199725	208434	167073	216653	140831	332565	396032	492530	148896	281553	2160	332469	391587	212181	176135	203409	373254	220064	450488	245688	335893	221491	0	205977	397691	Lipid	0.41666666	1.4583334	0.041666668
22	C28 H35 O7 N1	498.24863	498.24927	0.002351084	498.24863	26582	22809	22138	30723	18531	14733	16172	22017	16003	27990	48811	16481	7799	17603	17971	29602	28966	13040	22638	46726	56738	32598	22255	32363	22859	91439	12792	46319	25095	20980	16718	21301	29786	27129	36022	23910	28867	19705	27411	42441	56463	19762	0	0	0	27963	27012	0	26204	25617	28260	26723	20783	0	14000	12176	12042	27044	15001	23815	33418	27830	16919	12067	9689	20456	19758	31840	77995	88724	95120	22867	19020	17874	16641	17948	0	15502	21677	28742	15207	17856	14913	34371	13449	11795	35293	24053	14453	42632	36728	36237	46105	21578	29960	0	20973	28096	9958	15199	12313	35263	17184	29932	15833	36500	16274	0	25529	15613	Phytochemical	0.25	1.25	0.035714287
16	C28 H35 O7 N1	498.24863	498.24933	0.014806058	498.24863	1653	0	3889	2833	3786	2437	2788	2993	0	13710	9124	3597	0	2725	1884	3845	4698	0	3132	12930	11256	0	2131	5136	0	15775	3070	6811	2969	4294	4415	0	3445	1982	5836	3153	4285	2460	6905	4183	7882	0	0	0	0	3071	1629	0	2617	2292	3386	1943	0	0	0	0	1033	5098	0	2145	0	2756	1945	1226	1695	0	2197	6144	13022	15559	20094	4331	3121	1565	4710	5870	0	1376	5261	6204	3306	0	1229	3254	0	0	5303	0	1282	0	3871	3281	0	3284	2659	0	2880	2977	1451	1842	0	4445	0	1721	0	0	2381	0	3391	0	Phytochemical	0.25	1.25	0.035714287
26	C28 H35 O7 N1	498.24863	498.24927	0.046268497	498.24866	8918	12766	7478	8033	10662	5157	2057	6464	5775	13616	23445	4802	5553	6226	0	11292	5557	8583	8391	22621	26388	8735	0	13825	9767	49540	0	21828	13370	0	7495	5627	8865	9156	14784	9334	8591	5640	4493	18259	20038	0	0	0	0	11693	9799	0	10902	7457	8005	8960	6515	0	9026	10352	4146	7502	5185	8042	12480	14151	5678	4500	0	8648	7432	10523	54598	37397	52506	5898	6061	0	0	7659	0	3315	8808	10398	6664	6998	6078	12238	8941	0	9265	4155	5716	9419	8964	9514	13592	7674	11548	0	9947	10400	6826	8955	11218	9067	3722	11457	7221	9826	8014	0	5478	6119	Phytochemical	0.25	1.25	0.035714287
8	C22 H35 O8 N5	498.25583	498.2565	0.3326272	498.256	0	0	1207	1770	800	0	653	0	0	0	1472	0	848	1102	811	0	0	0	0	0	0	0	0	0	664	0	598	5562	0	0	0	855	0	898	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1383	0	1222	1433	0	0	0	0	724	0	0	0	0	0	1329	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26917	0	0	0	0	1039	0	0	0	0	1576	93009	25928	1279	2578	0	0	0	0	0	0	0	0	0	0	0	0	2199	0	0	0	Peptide	0.36363637	1.5909091	0.22727273
4	C22 H35 O8 N5	498.25583	498.25635	0.14049219	498.25592	1126	1014	970	740	0	1413	0	755	0	0	0	308	1252	0	1272	481	822	910	367	0	0	0	1026	0	401	0	0	5019	1399	747	836	907	949	0	0	0	988	461	837	0	0	0	0	0	0	0	0	0	0	0	1538	1283	0	0	300	279	0	738	0	0	569	0	247	249	0	1086	0	0	0	0	0	624	818	0	0	592	0	360	627	53505	839	354	295	0	0	0	598	415	369	988	89923	30580	869	2391	0	0	0	955	0	0	0	744	658	0	0	0	405	0	437	462	Peptide	0.36363637	1.5909091	0.22727273
6	C22 H35 O8 N5	498.25583	498.25662	0.3600724	498.256	2177	2321	1702	1901	7654	526	527	0	0	0	2803	0	2443	7830	687	0	0	0	0	0	0	0	0	1031	923	0	0	14917	0	0	929	0	0	0	0	1436	870	0	0	0	0	0	0	0	0	0	0	0	0	0	2572	4307	4177	0	0	0	3297	1637	0	0	0	0	0	885	621	1103	872	0	0	0	0	0	0	0	0	0	0	0	565	72881	0	0	0	0	0	0	0	0	0	1041	177441	61390	2964	8878	1818	0	2201	1752	0	0	0	0	0	0	0	0	2924	0	558	857	Peptide	0.36363637	1.5909091	0.22727273
10	C22 H35 O8 N5	498.25583	498.2562	0.42501146	498.25604	0	0	1079	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1066	0	0	3262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	689	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5644	0	0	0	0	0	0	0	0	0	0	26498	7409	1913	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.5909091	0.22727273
18	C25 H39 O9 N1	498.26974	498.2704	-0.035151403	498.26974	68184	71655	66418	62490	43131	41101	59116	104243	47938	48934	36919	58781	54177	27685	82450	102503	69731	67667	96300	90975	65656	47962	70187	107365	66205	67815	49192	31393	101680	86773	72976	92724	84892	80736	48509	90463	92210	60970	68511	47384	38378	48616	1446	0	0	59002	44593	0	80249	77009	61795	64079	45002	0	72088	55063	39685	75912	59931	44565	83396	34975	63194	47052	31448	39292	51834	62828	50587	58227	61627	66487	67597	95442	84315	89170	0	53888	74761	35707	57069	34199	61105	38455	66737	48363	78543	34354	47139	58733	76044	71556	100311	31031	56823	412	66421	71531	36595	41515	60433	99968	56100	91252	33899	61001	51611	0	63378	41199	Lipid	0.36	1.56	0.04
16	C25 H39 O9 N1	498.26974	498.27045	-0.022525351	498.26974	20881	27294	22101	21768	13734	15241	22813	43736	12086	19977	10266	18833	17444	7831	35305	45664	37761	8078	23437	27098	21584	14253	30663	35706	32951	19109	21101	11499	39422	37325	35456	41823	27743	22818	20523	43205	29794	20205	38677	11978	14982	19635	435	0	0	26421	25830	0	37456	41925	25469	23043	12198	0	18816	16569	12515	33174	21067	21543	37865	10547	14420	14100	10923	12692	13569	33444	12981	14564	17237	31721	27229	43644	42880	27002	0	20192	25368	16189	23650	15882	23847	11267	24672	18908	30930	11737	17784	29511	31175	31108	35735	8272	15299	0	22924	25476	10892	14489	18394	35588	24753	34602	20844	27784	20141	0	30834	10869	Lipid	0.36	1.56	0.04
26	C25 H39 O9 N1	498.26974	498.27042	0.007519888	498.26978	16709	15406	23649	14665	17689	14694	7568	18454	22050	39862	15733	10553	35756	12484	18509	23428	7647	39170	35345	43028	35896	26207	15833	24167	14532	22797	6199	13295	21596	17320	18233	15645	24537	20138	47883	21275	32004	11502	8756	25235	11776	16815	0	0	0	20159	10233	0	17623	17178	18202	20226	14324	0	31989	21155	7595	20095	16168	4135	24003	14531	31939	22347	7421	25480	14797	7377	20191	47730	32861	22484	17761	19358	7936	13212	0	11703	18560	0	11962	9191	13134	16098	17979	13995	20931	12443	16375	8183	27126	24769	33541	7445	13687	0	21263	16763	13089	15149	19766	18738	8173	20286	10538	16941	13709	0	10967	27455	Lipid	0.36	1.56	0.04
26	C29 H39 O6 N1	498.285	498.2856	-0.00995068	498.285	10187	11091	6901	10467	9527	3604	4035	11392	5115	9339	17581	6746	0	2855	6371	10102	12562	0	6154	14118	10047	5057	0	11866	9164	43442	4561	19459	13629	14995	12185	14923	12532	14443	8416	15923	12590	6668	9579	18120	12423	9468	0	0	0	7149	0	0	11715	15042	8609	10393	7546	0	8450	7402	6114	14377	8359	7055	12428	9242	2909	3942	3151	5771	10739	8570	36445	20796	27258	11677	6414	12314	0	12116	0	7354	10959	9709	4812	7461	7956	15724	7884	7053	11946	5264	6593	13874	12245	8781	16531	6736	6210	0	9887	9623	4871	8558	10242	22747	4779	15764	0	10258	4941	0	11214	3036	Lipid	0.20689656	1.3448275	0.03448276
28	C26 H43 O6 N1 S1	498.2884	498.28876	0.047696956	498.28842	3623	2454	3625	1921	3268	1955	1343	9026	0	0	0	2345	0	2856	0	0	2825	0	0	0	0	0	0	0	0	0	4856	3363	0	3910	0	1807	1308	0	0	0	0	2516	5409	0	0	0	0	0	0	0	0	0	8803	0	2859	3337	1864	0	0	0	0	18879	0	0	0	0	0	0	0	0	0	9019	0	0	0	1970	1654	0	0	0	0	8003	2418	0	0	0	0	0	0	0	4118	5445	69611	9014	2143	0	3674	0	0	0	2457	2596	3345	0	158999	0	3670	0	0	1079	2406	0	0	0	Organosulfur	0.23076923	1.6538461	0.038461536
6	C23 H39 O7 N5	498.29224	498.29288	-1.11E-5	498.29224	0	1081	0	672	13400	1043	0	0	726	0	0	0	3675	24080	0	0	0	0	0	0	0	0	0	0	0	0	0	3393	0	0	0	0	0	0	0	0	0	0	0	0	0	626	0	0	0	0	0	0	0	0	590	997	5382	0	1845	1397	11941	0	0	0	0	0	0	1750	1991	1692	3207	0	0	0	0	0	0	0	0	0	0	0	0	50772	0	0	0	0	668	0	0	0	0	0	52893	9805	0	2480	0	0	0	0	654	0	476	0	0	0	0	0	5006	0	0	0	Peptide	0.3043478	1.6956521	0.2173913
22	C26 H43 O8 N1	498.30615	498.30676	-0.001750464	498.30615	26309	21174	30127	30662	28818	18486	45573	30861	24427	15458	7216	14764	24382	16779	29334	30694	25573	30215	46389	20527	15449	15319	21604	26255	26938	13925	40781	13321	39920	34491	28539	35601	42213	25612	19273	42050	41488	21562	27004	8449	8418	18842	0	0	0	14582	12082	0	35300	27146	24760	31978	28237	0	47829	29736	17114	32147	19627	14474	34361	8915	23836	23570	12523	23832	22376	24718	8306	15621	9610	19871	23993	36492	35255	26697	0	22350	26762	8931	16554	9848	39781	18726	31495	27089	29025	17913	19868	17580	36772	25779	31138	7519	13063	0	28030	30419	14456	20222	28839	44647	19245	27134	12473	30272	25601	0	20669	25303	Lipid	0.30769232	1.6538461	0.038461536
26	C26 H43 O8 N1	498.30615	498.3068	-0.026517536	498.30612	23685	18290	22832	19670	23773	12862	24537	30807	21803	20643	8909	8861	25495	19514	23435	17057	17937	28668	54131	23003	18618	17442	16090	21480	32745	12378	23935	20783	35176	27808	28407	28947	34858	26095	26447	30419	44488	21150	13536	16416	4411	24319	0	0	0	13859	6440	0	31096	22971	20730	19332	17361	0	33192	24523	11737	30935	25491	4972	24949	10072	27214	24418	9373	26620	28340	15017	7256	28003	13348	22046	21031	33896	8462	24908	0	17781	16461	7549	13476	8451	22241	13599	19191	21554	25473	12269	18484	8494	37012	45563	31393	8871	13439	0	18727	21701	10515	17511	22097	32413	10198	40843	20033	22306	15167	0	17024	22155	Lipid	0.30769232	1.6538461	0.038461536
20	C26 H43 O8 N1	498.30615	498.30682	0.06945051	498.30618	11463	8956	7746	9270	6280	3208	14717	12573	6180	4664	0	7092	4785	4050	11689	13817	20095	3745	10111	3568	4507	3672	7532	9031	8551	1950	10710	5888	17916	16279	9831	15470	19638	8416	3922	18881	15820	10499	19645	1927	3537	9928	0	0	0	1776	3311	0	17432	13985	7871	5652	5968	0	9932	3604	4894	13072	5400	4716	13045	0	6096	5584	7233	3906	9031	18336	5504	3155	2247	8290	13180	20960	22809	16587	0	9058	6235	3211	3614	2110	9732	0	11337	7073	9468	5575	6062	7040	9258	5862	9659	1775	4137	0	6163	7028	4587	6419	11328	15782	5562	9437	1676	8062	6341	0	10025	4853	Lipid	0.30769232	1.6538461	0.038461536
24	C23 H47 O10 N1	498.32727	498.32788	-0.103289075	498.3272	0	0	2538	1694	1450	0	0	0	3126	0	0	0	3188	3833	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2356	0	0	0	4872	0	0	0	0	0	0	0	0	0	0	1949	0	39912	0	37814	0	4007	0	0	1178	0	17057	51020	15527	19582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17084	0	0	0	0	0	0	0	0	0	0	0	1253	0	0	0	0	0	0	51896	0	0	0	0	0	Lipid	0.4347826	2.0434783	0.04347826
12	C24 H43 O6 N5	498.3286	498.32898	0.06097729	498.32864	0	0	0	0	0	0	0	0	0	0	0	0	0	1148	0	0	0	0	0	0	0	0	0	0	0	0	0	9296	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	137891	0	0	0	0	0	0	0	0	0	0	120759	29411	0	5776	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.7916666	0.20833333
10	C24 H43 O6 N5	498.3286	498.3292	0.054418292	498.32864	1182	1633	0	0	0	1726	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1142	2220	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	202098	0	0	0	0	0	0	0	0	0	0	247282	51043	0	10553	0	0	0	1433	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.7916666	0.20833333
8	C24 H43 O6 N5	498.3286	498.32944	0.19595478	498.3287	1140	0	1031	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9149	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	96115	0	0	0	0	0	0	0	0	0	0	118946	30112	0	4674	0	0	1059	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.7916666	0.20833333
14	C27 H47 O7 N1	498.34253	498.34332	0.19350395	498.34262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15813	0	2155	0	0	0	0	0	0	0	0	0	0	0	0	0	73448	0	0	0	0	0	0	1225	0	0	0	0	0	0	0	0	0	4653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25925925	1.7407408	0.037037037
24	C27 H47 O7 N1	498.34253	498.343	-0.009843663	498.34253	2632	2131	1558	1737	1829	1404	42155	2928	1091	0	0	1674	0	4401	1767	0	2437	1219	3857	0	0	0	0	0	1929	2454	36482	1645	2214	4472	2265	7250	4311	3210	0	3964	3798	2185	4727	0	1846	2431	0	0	0	0	1074	0	3099	4695	2010	3220	1596	0	2047	1194	1177	3923	0	2838	3826	0	0	0	2936	4145	5184	3696	0	0	0	1995	4093	5187	2373	5034	0	1219	0	0	807	786	7419	6591	2426	0	5812	2665	2489	7305	5978	3844	2623	0	0	0	2564	2707	1062	0	0	4167	1878	0	1459	1247	1704	0	1109	3274	Lipid	0.25925925	1.7407408	0.037037037
26	C27 H47 O7 N1	498.34253	498.34296	0.004563478	498.34253	3852	3678	3216	3805	3499	2281	56007	0	2099	0	2462	0	0	3747	0	0	0	0	0	0	0	0	0	0	0	0	42926	4635	0	0	0	5569	4082	3294	0	9645	3924	2973	3168	0	0	0	0	0	0	0	0	0	7178	0	3655	3282	2480	0	4353	0	0	3547	4921	4007	5693	2925	3600	2669	3867	6432	7533	4399	0	0	0	2510	3110	0	0	7112	0	0	4515	0	0	0	12296	7437	0	0	4471	2624	0	0	9301	5823	4271	0	0	0	2553	5323	0	3604	4951	7894	0	0	11908	2409	0	0	3266	1984	Lipid	0.25925925	1.7407408	0.037037037
26	C24 H51 O9 N1	498.36365	498.364	-0.076800786	498.36362	0	0	0	1956	36009	9118	0	0	0	0	0	0	13750	44425	0	0	0	0	8033	0	0	0	0	0	0	0	0	1817	0	0	0	0	0	0	0	0	0	0	0	0	0	18736	0	0	0	0	0	0	0	0	0	0	4234	0	0	0	0	0	0	0	0	0	0	0	2853	5463	17923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1858	36654	10655	6739	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9766	0	0	0	0	0	Lipid	0.375	2.125	0.041666668
24	C24 H51 O9 N1	498.36365	498.36508	-0.30257866	498.3635	0	0	0	0	0	0	0	0	0	0	1488	0	0	0	0	0	1403	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3064	0	0	0	0	0	2066	0	0	0	0	0	0	0	0	0	0	0	4778	0	0	0	0	0	0	1810	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24019	0	0	0	0	0	Lipid	0.375	2.125	0.041666668
16	C20 H18 O15	499.07184	499.07263	0.31454685	499.072	0	9165	7224	8448	25116	9051	0	0	37152	0	0	0	63855	3492	0	0	0	20937	27801	0	0	11043	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2865	0	0	0	5775	0	0	0	0	12864	0	0	0	4635	0	9429	0	16803	37893	12132	0	0	0	0	0	77448	37998	9930	29037	6249	6198	0	0	7308	0	0	0	0	0	0	4710	0	13155	3378	11061	0	0	21951	0	4449	8223	6660	0	0	0	0	25200	13884	0	7290	0	25050	44565	23376	0	0	0	16281	0	21240	0	0	54633	Phytochemical	0.75	0.9	0.0
14	C20 H18 O15	499.07184	499.07275	0.22725196	499.07196	1679	3169	0	2116	12064	2493	0	0	14318	0	0	0	16778	0	1326	0	0	5398	8347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1528	0	0	0	1449	0	0	0	0	2954	2763	4329	0	6008	11455	2472	0	0	0	0	0	23551	7349	3569	8417	2722	0	0	0	0	0	0	0	0	0	0	938	1517	0	1368	2328	0	0	13041	0	1189	2658	0	0	0	0	0	7582	2150	0	2771	0	8152	17782	13173	0	0	0	0	1335	5554	0	0	20259	Phytochemical	0.75	0.9	0.0
24	C24 H18 O12	499.0871	499.0877	0.0838756	499.08716	8713	11914	10224	7651	25616	10509	2437	1447	23351	26937	9549	2782	40491	9179	5931	2277	0	28194	20236	17876	9489	27098	7830	2563	4463	3992	0	2055	1501	1354	3460	2761	2597	1453	35062	1351	4044	3712	1324	7469	6816	3377	0	0	0	9402	12837	0	1923	0	6969	11609	13589	0	29027	19111	8838	2616	1930	1676	1107	5272	41848	25978	5899	28282	6501	0	8436	10484	10249	862	2322	2530	0	1305	0	3744	10131	16788	14709	9596	1310	5813	36277	12562	9554	4948	7199	1716	1459	3288	4858	29118	44563	0	8422	9360	14878	23716	24810	1535	1918	1710	7931	2775	18046	0	2865	38435	Phytochemical	0.5	0.75	0.0
14	C24 H18 O12	499.0871	499.08792	0.210216	499.08722	5415	7114	8638	6581	16353	5607	0	0	19232	31843	18200	1257	18108	3037	1585	0	0	12357	11911	11434	20711	24746	2911	0	0	3734	1006	0	0	0	0	0	1415	1386	38049	0	0	1250	0	5682	12918	2859	0	0	0	8504	23522	0	1524	0	7310	5510	7023	0	15168	13874	4302	4053	0	0	0	9372	33059	15329	5184	15135	3960	0	0	8655	13090	0	0	0	0	0	0	0	6842	0	6092	12300	0	3338	18515	10168	7267	5815	4441	0	0	0	3281	27478	27367	0	6004	8198	22671	21695	19337	0	1701	4236	0	0	13847	0	1567	21476	Phytochemical	0.5	0.75	0.0
22	C24 H18 O12	499.0871	499.0878	0.093449935	499.08716	16790	19036	12849	18566	31758	13960	4080	1813	41138	40461	14036	2911	44938	11643	4535	2879	0	35641	26080	20462	29171	41012	11292	4419	3944	7008	3740	6619	1609	0	1538	0	3698	0	54159	0	7637	8995	1160	11174	10767	4852	0	0	484	23526	20292	0	1606	0	14346	22462	21642	0	27132	29308	9231	5516	3230	0	3499	8152	55758	33177	12783	34932	9890	1686	11544	17391	7081	1722	1502	0	1036	1200	463	2350	19421	19671	19715	18702	3566	6126	40677	19092	15819	8670	8911	2159	5633	6850	10185	49447	58032	0	16421	14533	29438	37486	26993	2414	3663	1841	20692	3056	25144	0	3841	52822	Phytochemical	0.5	0.75	0.0
16	C24 H18 O12	499.0871	499.08786	0.12625526	499.08716	12681	21963	13566	14996	26849	8618	1758	3856	32105	41201	29342	3237	47042	8222	6276	2515	1453	24263	18894	25117	27505	41951	6005	0	2059	9227	3022	10490	0	0	1165	0	2064	0	59844	0	2337	2864	2217	14275	21205	2015	0	0	0	26060	37198	0	0	0	17573	17315	16361	0	23339	26029	12166	1758	0	3116	0	12969	52736	28315	8786	32331	10496	1994	11391	10189	22272	0	0	0	2297	0	0	2546	13637	36033	12809	26877	2206	8583	40303	13176	16245	7010	8648	0	0	4279	0	51476	57269	0	18439	10682	32673	31454	27376	3640	2112	2328	21035	0	23867	0	3940	37466	Phytochemical	0.5	0.75	0.0
20	C24 H18 O12	499.0871	499.08777	0.15151711	499.0872	20982	27159	19551	18560	44134	18008	5509	2695	49439	54790	18344	2233	64634	15722	6546	6474	0	43805	45177	31662	31796	62961	11276	5329	6803	10935	4238	8316	0	0	2526	1639	4517	2718	69065	0	9678	4662	2871	19556	16781	7813	626	0	0	27788	36143	810	4367	0	17512	22543	26743	251	32268	35507	19382	7412	4791	4598	2923	16387	76984	40485	17112	45605	13762	4535	10554	13370	15405	1464	0	0	0	0	401	3768	22662	42893	17267	22542	3937	15315	52146	19452	17976	9971	14551	5268	7381	11382	3874	67396	58262	0	22682	16006	40266	48712	42925	3917	3970	5263	29334	6850	37489	0	5554	69846	Phytochemical	0.5	0.75	0.0
28	C24 H18 O12	499.0871	499.08774	0.14344214	499.0872	8330	6840	6521	5074	12930	8104	1361	0	14693	18499	3575	0	23419	7149	2331	0	0	17802	19682	5326	6819	15043	5468	0	2662	0	1491	1102	0	0	0	0	2444	0	20964	0	1667	2700	0	3557	4864	2903	0	0	0	4960	9662	0	0	0	7286	5864	7182	0	16755	11848	4919	1447	2475	2605	0	3195	26608	12550	4957	15112	3649	1036	3315	6027	6785	0	0	0	0	0	0	0	10541	8505	8861	1065	1263	2134	20099	10685	7179	3649	3567	1381	1639	2576	3714	14626	23203	0	8618	6186	8375	12496	16704	0	0	0	0	1575	11595	0	1906	25535	Phytochemical	0.5	0.75	0.0
26	C24 H18 O12	499.0871	499.08774	0.1273282	499.08716	8953	8482	5956	7173	18444	8377	0	0	17392	15316	2281	0	29469	8325	0	0	0	23003	24642	10201	11769	28369	0	0	0	0	0	0	0	0	0	0	2736	0	22096	0	3119	0	0	5813	3569	0	0	0	0	6304	6766	0	2046	0	7430	11632	10605	0	29260	11767	6747	0	0	0	0	0	35128	18947	3682	18662	4563	0	0	9128	8890	0	0	0	0	0	0	0	12394	6711	10479	4745	0	0	21019	13729	7429	6259	3971	2658	2623	1922	0	23523	25915	0	6870	8785	12460	21990	17483	0	0	0	0	1821	12530	0	2676	30451	Phytochemical	0.5	0.75	0.0
20	C23 H18 O11 N2	499.09833	499.0992	0.1800483	499.09842	8178	11478	12126	8028	12144	0	0	0	15594	11982	7935	3723	32481	0	3993	0	0	13899	16980	0	24864	55287	3819	0	0	4065	0	0	0	0	0	0	0	0	45639	0	0	4794	0	29613	21306	0	0	0	0	19272	55155	0	0	0	1883	9345	7809	0	21525	10644	4896	0	0	0	6735	26265	23484	12966	6951	13785	4854	0	15639	11883	7947	0	0	0	0	0	0	3078	0	38481	5217	24237	0	0	14514	5376	9804	4863	0	5943	0	7551	7719	50244	54297	0	6309	13167	4167	10323	15798	0	0	0	21975	0	9090	0	0	16062	Phytochemical	0.47826087	0.7826087	0.08695652
16	C21 H22 O14	499.10825	499.10904	0.21542656	499.10834	28942	35220	24630	28915	46338	37212	7517	7890	72767	21740	15006	10693	103052	16357	18863	11407	6901	57197	46446	15394	37851	63751	24498	11773	4939	0	7348	0	8705	4619	8160	3906	13446	5049	43763	5766	13815	20306	8962	16075	22495	12274	1103	0	0	65778	120403	0	8493	5932	25010	29730	31900	0	58811	38967	19841	10463	17290	5893	8827	25071	90094	57246	15916	54475	24567	8210	8737	6773	13872	6881	10014	7559	4913	7186	0	11238	19258	44632	17741	78407	7088	4850	42559	20725	16110	12867	19928	0	0	13525	36699	58946	29430	0	27445	29356	45377	30831	34046	12628	14112	8159	88550	0	45835	0	6598	109707	Phytochemical	0.6666667	1.0476191	0.0
14	C21 H22 O14	499.10825	499.10907	0.20629546	499.10834	43159	30516	25575	35997	49653	33748	6808	12359	70090	23090	28755	17452	111882	15274	18621	11743	4689	63464	56576	21803	38556	74249	29192	12809	5233	1254	8511	0	9389	5182	9352	7885	22570	7520	52411	10329	14848	18613	8844	16801	24664	25518	0	0	0	64698	129708	0	9003	8532	33559	32429	34728	0	74250	44824	22449	15328	14017	14932	0	27250	108750	77868	25163	68581	34656	9965	0	9378	10485	12198	9861	8054	6701	8823	0	13100	27087	35729	26369	66036	4133	7539	54960	24233	20223	19755	26799	11086	5372	13109	20988	84488	37831	0	35782	33411	50342	54700	46726	11504	16400	10028	105583	14944	44198	0	7734	95013	Phytochemical	0.6666667	1.0476191	0.0
12	C21 H22 O14	499.10825	499.1091	0.25169855	499.10837	24133	29220	27494	27409	35112	22975	6426	9066	46183	21786	26686	14746	72799	8249	15163	10972	6656	42748	47390	19163	32493	59646	19600	11454	1570	907	5059	0	4642	7045	7329	5871	13640	7055	38896	4795	11859	14826	9197	11035	31907	17465	392	0	0	37868	103851	0	7430	11404	24850	28412	29182	0	49590	39887	17727	10775	8548	11922	0	19042	90066	50625	14353	52053	22124	15152	0	5746	7321	6799	9676	3673	8995	7175	0	10414	22910	37187	19499	42942	4264	3781	43539	18775	17626	15641	19556	12224	4721	10819	16668	66655	29755	0	30501	25504	43546	44477	38578	13327	13653	8628	53679	15566	37010	0	3848	80288	Phytochemical	0.6666667	1.0476191	0.0
22	C16 H27 O14 S1 Na1	499.1092	499.10956	0.085257255	499.10925	4732	6426	4529	3819	0	0	1231	1756	4104	6938	0	0	6794	0	2783	0	0	4979	3387	0	5936	8602	1872	1554	0	0	0	0	0	0	1177	0	1207	0	6090	1550	0	0	0	8866	0	1356	0	0	0	17322	32350	0	0	1382	2568	0	1813	0	5979	5669	0	1864	2196	0	1495	8196	4543	3693	1637	3354	3524	1891	0	0	0	0	0	0	0	0	0	0	0	7018	2790	22246	0	1713	3735	2732	0	2466	0	1275	2684	0	0	12197	7373	0	2539	4035	3532	0	0	0	0	1303	24262	2479	4041	0	0	8725	Organosulfur	0.875	1.6875	0.0
12	C20 H22 O13 N2	499.11948	499.12036	0.37028733	499.11966	4244	5362	4426	7306	6039	5335	0	3389	11840	5358	4775	8998	13459	1184	5080	3781	7222	13347	10329	1766	10412	19269	8049	7630	0	0	0	0	3348	1843	3876	2942	6937	2569	5035	1730	5880	5896	8047	6286	15176	7703	0	0	0	13642	43620	0	4194	4668	4692	4707	6389	0	12994	9115	4069	5086	0	8169	0	7632	25764	14793	5435	11600	5352	7675	0	2617	0	2194	4913	1847	3966	2988	0	5930	3728	0	4713	12414	1313	1884	9842	3236	5138	5925	6359	10314	0	4344	8814	13186	3888	0	6272	6419	7344	5640	6830	3315	6252	0	19923	6564	5904	0	0	18828	Phytochemical	0.65	1.1	0.1
14	C20 H22 O13 N2	499.11948	499.12036	0.3928278	499.11966	17295	13689	19305	13941	14808	10083	7533	8589	28650	14172	11946	18453	45882	7266	7365	11307	12939	26916	34644	20010	26899	36852	14535	0	4470	0	6216	0	5313	5535	8061	0	16818	0	17793	5121	17262	15285	4257	17319	50007	11178	0	0	0	23877	97326	0	5139	0	11277	15027	15252	0	43694	31023	8214	11595	0	0	0	29688	44784	40176	10905	27651	15054	9834	0	0	0	8769	4470	6036	9528	5865	0	7365	6387	0	9411	30939	3384	4128	23415	12054	9549	16959	21867	16311	8478	14034	23160	36159	16317	0	7587	24501	9492	19962	12960	18420	15639	8718	0	19269	11181	0	4158	53994	Phytochemical	0.65	1.1	0.1
24	C25 H22 O11	499.12347	499.12415	0.13451886	499.12357	19540	14283	16286	17131	29356	13355	2058	1724	27695	66457	21187	2486	44736	12131	5502	3181	1345	25991	28064	34951	35772	38081	6806	3413	5046	26543	3142	16811	2025	2082	3763	1674	2270	2110	87236	1179	3580	4860	2175	16736	16071	2591	0	0	0	20757	27248	0	1653	0	16953	18267	15283	0	32835	27334	9528	4228	4713	2318	3980	15269	50680	24289	11814	29841	9108	4153	21892	48251	40209	0	1063	0	0	0	0	3158	18103	22769	11493	22586	2415	13322	40593	13439	10805	3755	6016	2735	6485	6949	6424	37965	54250	0	16443	17284	23743	29109	26406	2855	4448	3731	19628	2787	22896	0	3938	43526	Phytochemical	0.44	0.88	0.0
26	C25 H22 O11	499.12347	499.12418	0.13962042	499.12357	9811	9847	13738	9855	16434	9152	0	0	19966	36150	11735	0	33549	8042	0	0	0	25139	20965	18903	16778	24586	0	0	0	12789	0	6942	0	0	0	0	0	0	48860	0	2948	0	0	9600	10660	0	0	0	0	14153	23752	0	0	0	7884	9375	9366	0	20073	17448	3351	2826	0	0	0	6905	28995	17570	3169	16796	4052	0	14655	32051	23971	0	0	0	0	0	0	0	8851	11748	7630	7860	0	7089	24599	13397	7394	3055	4221	0	2679	4118	0	23280	36209	0	10912	11523	12628	18873	17207	0	0	0	7515	2020	14347	0	2643	31026	Phytochemical	0.44	0.88	0.0
20	C25 H22 O11	499.12347	499.12418	0.08429303	499.12354	51904	47467	42050	43755	74144	42341	8151	7339	78270	190698	73432	7394	104199	37178	15635	16248	5213	73219	72528	99183	110034	97440	22427	9898	16746	91710	11099	61573	10387	5368	5410	5639	15303	5055	221727	2855	19703	16452	6522	69933	49682	12155	903	0	0	87756	89702	0	7736	6812	55471	47980	39315	255	79250	58746	28133	19434	12961	6709	16012	50322	103035	57883	24186	72350	25330	8699	72642	109590	127562	5296	6241	3545	4195	4120	0	10117	43464	67619	31795	69740	14410	68795	81535	44141	33393	16090	19732	10781	27707	31867	19310	95190	110411	0	45537	41857	66360	64233	62877	11352	9795	12970	58384	14250	50811	0	16169	101536	Phytochemical	0.44	0.88	0.0
14	C25 H22 O11	499.12347	499.12427	0.15782578	499.12357	21041	20902	18645	15712	16853	11341	3068	3875	25636	84849	45440	3856	19091	13406	7890	4976	8891	18849	21651	41831	45549	27943	7795	8936	3818	33132	7961	28637	5539	4451	1742	0	8346	3993	97356	2215	8406	6852	6380	26062	31756	4306	0	0	0	32657	44427	0	4581	5286	14654	16648	7587	0	18860	17613	10383	7568	0	7314	0	16337	30682	20192	7754	23489	7501	7166	34901	49798	57169	2781	4005	1591	3855	3209	0	4724	19745	27035	12808	29070	5669	15659	22067	10252	14309	4602	9402	7900	9495	8253	9852	48028	44649	0	22248	17780	23979	22966	23696	6977	3379	9661	20422	8671	19393	0	7932	23987	Phytochemical	0.44	0.88	0.0
16	C25 H22 O11	499.12347	499.12427	0.13833952	499.12357	31569	38124	38508	31708	43077	18397	13850	5107	48653	147382	76444	7627	57284	26520	12670	11429	7522	52143	42408	76542	82227	66671	16685	13766	9084	66095	6698	49919	4593	3902	8429	6959	9478	8143	207828	5509	13481	11526	8978	45327	50811	10325	566	0	0	51468	64266	0	8564	6566	31836	37286	28296	0	39297	38871	20416	17133	10892	8928	14350	32536	71758	34164	19633	53049	18554	8599	56484	96425	100674	6261	6862	3232	5306	6553	0	7405	35206	58532	23729	60292	10904	41318	47068	24416	28518	17636	13326	0	16226	31729	0	70489	85412	0	36357	32493	54174	44474	49374	8467	7888	11545	49518	11537	39795	0	14586	67225	Phytochemical	0.44	0.88	0.0
28	C25 H22 O11	499.12347	499.1241	0.06702186	499.12354	6553	5274	6234	5858	12914	4580	1062	0	9766	18937	5493	1301	19028	7654	5069	2168	0	14276	13200	8570	10850	12068	4365	2965	2765	8747	0	3601	0	0	0	0	2349	0	25900	0	0	2321	0	6730	5429	0	0	0	0	6735	5667	0	1282	0	5775	5690	6884	0	12632	10314	3894	1537	1046	1336	1993	4332	19528	8563	3683	13001	3530	1966	12317	18514	20305	0	0	0	0	0	0	1235	8338	7543	5439	3677	2029	5525	17991	7470	3583	1769	1881	1951	2854	4236	0	13300	22215	0	5008	5605	8483	8904	11833	0	1685	0	5425	1542	9615	0	2861	15368	Phytochemical	0.44	0.88	0.0
22	C25 H22 O11	499.12347	499.1242	0.12978072	499.12357	32304	31470	27804	27595	50108	28472	6155	4995	51614	116221	54266	6094	58781	22836	10962	9379	1708	52958	46954	63759	61803	64728	15713	6353	11235	56329	7126	32954	4542	2661	6569	0	7329	3612	135535	1232	8989	10977	0	38049	24708	12355	0	0	0	49144	55540	0	4210	2948	28696	32396	29767	0	52920	47638	16630	11094	7837	3764	11147	28512	82336	44867	16755	51005	18415	5149	49230	70691	68890	3117	2538	1372	2002	4664	0	6065	25426	38155	23493	44334	6187	23731	57132	24853	22344	12946	15517	11304	15440	15317	5736	63492	89099	0	26596	25885	44163	48689	41433	9216	5124	8979	35214	6061	36917	0	7214	72843	Phytochemical	0.44	0.88	0.0
12	C25 H22 O11	499.12347	499.1243	0.15617274	499.12357	13359	9684	5004	4834	5713	3382	0	3539	7342	29244	18338	3030	7994	4343	2107	4129	0	5289	7534	16826	17249	18775	4511	0	1558	15244	0	0	1788	1198	2033	2550	3314	0	34100	3158	1442	1660	4142	10668	18289	2143	0	0	0	12868	24380	0	1690	2693	6872	9731	4315	0	8230	6299	3701	3506	0	0	0	8373	11026	9032	2952	7490	3066	0	0	19300	25708	1155	0	0	3718	1957	0	1936	7561	0	5558	12429	2783	6303	5343	2724	4687	1720	2447	4754	0	2303	3670	8593	10949	0	10886	8984	15082	9683	9506	0	2555	0	0	1485	7712	0	3264	10472	Phytochemical	0.44	0.88	0.0
16	C21 H26 O10 N2 S1	499.1381	499.13892	0.23367515	499.1382	13463	19119	10434	13787	16515	11244	4502	8061	14535	51838	17515	4230	28351	7395	6314	5225	4318	15888	18915	29891	28913	33171	9260	8584	8204	14540	3752	8727	3916	1626	6207	3557	1736	5854	67579	4826	9439	6730	9520	30755	32506	5524	0	0	0	29714	33302	0	6545	3883	17124	14369	11940	0	19807	14535	6132	13246	8053	6666	0	27928	25934	14177	3750	16271	6615	6028	21183	26792	30880	4239	8266	1872	5753	6247	0	6023	11847	22695	7954	21614	9242	22449	14933	6098	10689	7579	7994	0	9376	18148	0	34240	49836	0	14337	14240	11146	13804	10904	11093	4852	5783	22124	0	10953	0	8112	22061	Organosulfur	0.47619048	1.2380953	0.0952381
16	C22 H26 O13	499.14462	499.1454	0.14930592	499.14468	111208	106657	107340	100808	98801	87190	41414	81196	147612	172088	71053	53165	163281	41649	87151	57055	34149	169069	129992	173620	166347	200489	89615	71660	51571	30823	35187	53458	78109	66273	86244	86489	101174	67909	260193	77313	91273	70812	36944	144703	75410	53882	1652	0	0	513012	209440	0	86761	76495	100649	104154	80021	0	177349	61783	46772	77632	101228	34519	80707	104556	161054	103157	43432	107538	82782	32148	41877	77856	62579	102558	81097	84812	43092	72928	0	78091	71204	98765	55407	218205	49282	67701	73058	58182	61292	40468	63247	26966	60546	93202	103619	131380	155263	1173	101488	94606	82854	56908	56999	76067	55379	76202	218409	79649	72615	0	45657	172310	Phytochemical	0.59090906	1.1818181	0.0
24	C17 H31 O13 S1 Na1	499.14557	499.14618	-0.03511535	499.14557	10460	12870	12130	6350	11344	3800	0	3042	8424	25902	29678	2008	5792	4072	0	3594	3370	0	14558	42112	35864	21550	4768	5128	3806	52436	0	22788	0	4440	4678	3498	2784	4884	47614	3484	4258	2558	0	44748	26226	0	0	0	0	36430	61806	0	3048	0	19554	15218	9542	0	6942	0	0	4262	11052	9336	0	25574	8492	4186	4172	6722	6752	0	85976	50202	46314	4548	5598	4562	3882	0	0	4034	3552	17408	3732	22438	6972	32996	6400	0	4413	3622	4200	0	16030	19328	10556	31896	26882	0	14564	13216	9844	5338	0	6448	2464	9152	29494	6678	6444	0	3218	6168	Organosulfur	0.7647059	1.8235294	0.0
12	C21 H26 O12 N2	499.15585	499.15668	0.13679434	499.1559	40848	42066	40223	34948	20427	17286	23644	53195	31571	37371	25427	25543	38089	7095	40730	32643	36329	45135	41519	45103	47069	74279	46837	39920	21199	2207	15206	0	43665	31120	42056	42878	51430	32238	65868	42156	46109	34407	30909	48005	45940	23860	478	0	0	63571	60600	0	36768	36638	39128	39595	24857	0	52748	19413	17375	42552	58553	28026	28457	42141	49997	40983	13143	31950	29248	36301	0	9904	8152	34509	35130	33687	24937	33144	0	35190	26440	26222	26312	36043	23065	15704	24980	19847	34003	22046	31940	35750	27062	50545	68627	33976	32098	0	39586	40485	18311	16887	19801	52032	33951	42916	49772	47046	19530	0	21800	55390	Phytochemical	0.5714286	1.2380953	0.0952381
8	C21 H26 O12 N2	499.15585	499.15677	0.1640246	499.15594	25152	22231	14854	20183	11857	8509	9013	16136	15227	18183	12707	15068	20962	2182	9939	20075	20250	17299	20535	14524	21396	30668	17194	21650	5845	859	10565	2818	15245	11842	16907	18264	18813	15841	24080	19848	18826	11335	28018	17801	25357	13252	0	0	0	21410	37996	0	14339	18649	19691	26267	12305	0	23505	11789	8280	14837	11239	20801	21591	13626	31173	19699	8352	17624	13842	28406	0	2708	2924	18478	16074	14320	14579	16206	0	13716	15269	9774	12884	12713	8110	5269	14874	8827	11583	12852	13272	30998	0	11823	32321	21595	17981	0	20814	22613	9179	16202	9761	24252	12745	22295	11786	21912	9548	0	10154	27282	Phytochemical	0.5714286	1.2380953	0.0952381
14	C21 H26 O12 N2	499.15585	499.15668	0.1788184	499.15594	580585	659687	810099	877924	346312	554948	520454	942704	794743	1080228	431411	503376	722325	193423	835712	724023	330262	1115366	1226637	1919166	2380656	1640627	746981	954649	423613	315139	438977	331820	844586	543064	658760	440930	534514	634185	2120435	845056	509331	599158	318846	1380792	616629	575623	0	0	0	2875552	2474308	0	813593	551207	582578	814363	577923	0	741961	642453	266630	793744	1251863	301908	603716	918706	1006716	794111	352761	508161	628214	465694	459999	941078	777709	809428	727858	536632	506482	642869	0	639117	632543	632959	559073	1364542	523045	710669	660183	588401	559571	447601	293005	353642	339937	774629	1020417	969972	880652	0	939305	1043297	656786	508059	302315	908141	565886	1281883	1381944	837558	599457	0	519662	611308	Phytochemical	0.5714286	1.2380953	0.0952381
10	C21 H26 O12 N2	499.15585	499.1567	0.104509436	499.1559	35298	32060	32457	35463	19864	17041	17551	38607	22635	33354	25460	27013	27736	8313	27836	30982	35230	30403	37838	31808	38749	59437	32029	42814	12802	2499	21504	6852	28042	31413	26630	29998	42666	27621	48097	36541	43554	23101	38395	37895	40099	20508	0	0	0	37549	51344	0	36088	32369	30373	30708	16880	0	43842	14906	14117	42976	39233	25332	38592	33312	41629	35584	13886	29146	25901	32127	7291	6585	7439	34515	28744	34012	26264	24840	0	23469	22821	20554	25182	26960	17850	9123	24821	14490	19872	20229	18850	39021	17205	33345	60324	32463	27695	0	37221	37960	14860	15972	16584	40636	26899	33418	31626	34879	15473	0	16628	41482	Phytochemical	0.5714286	1.2380953	0.0952381
26	C26 H26 O10	499.15988	499.1605	0.060034905	499.1599	22126	15931	17319	15468	20253	13598	0	0	30508	52470	25910	0	44379	14481	0	0	0	38653	29828	34946	37675	26546	13433	6670	0	52325	1725	15050	0	0	3670	0	5744	0	70324	6274	5315	5997	3014	22039	25238	0	0	0	0	26317	24312	0	7786	0	21184	16244	14805	0	30886	30106	8490	5625	4614	0	6251	12196	43111	18704	7524	31861	8491	0	54858	71116	76227	3273	0	0	0	0	0	3335	15002	14571	16436	17877	3363	14892	38098	9937	14613	7207	7613	5566	6807	6413	8241	24835	41589	0	19178	16016	17167	31953	29764	6651	0	6644	11960	3608	21611	0	5963	41009	Phytochemical	0.3846154	1.0	0.0
20	C26 H26 O10	499.15988	499.16055	0.07747424	499.1599	105364	106982	105252	94190	121618	72842	25931	42405	144175	332084	199325	37514	160591	80199	47746	51171	28674	129253	136117	269418	232079	142950	61268	54908	39148	287576	30662	154520	35210	28216	37784	34335	48374	36212	419063	28453	53683	45941	27889	181737	127928	39935	3700	0	0	138877	135670	0	44175	36692	99608	115498	67901	280	117554	98966	53751	66366	49263	29528	49403	111384	167034	103443	44587	121683	66162	34423	240054	366632	346513	42156	29526	26221	26880	39373	0	30328	91673	93283	68295	105819	37732	151415	126162	67428	77088	46408	42480	37694	75612	77218	60543	113986	159286	0	107193	96745	115629	123147	104073	44361	27135	51952	100339	46763	96805	886	49699	171645	Phytochemical	0.3846154	1.0	0.0
24	C26 H26 O10	499.15988	499.16052	0.10875544	499.15994	38046	38297	38587	37560	48068	25306	6109	11107	56855	116031	59344	6365	83343	25621	14050	11516	7966	57572	55502	85196	77348	41105	20845	15636	13401	97252	8074	43584	8832	5204	8287	11077	13440	8117	146010	7542	13158	10195	7533	48612	46710	14477	3857	0	0	53800	52521	0	9933	9830	33853	38770	33960	0	54551	42481	20770	15896	11944	6105	12456	36813	72658	47355	17284	56861	22741	6363	91518	134518	149245	8391	6169	2261	4874	6259	0	6334	35111	32389	29400	39486	11278	41624	75467	33727	27834	14042	15758	11477	15906	20855	11008	43133	70128	0	35749	31173	42387	52134	42848	11678	6567	11841	27851	11063	42676	0	11850	73121	Phytochemical	0.3846154	1.0	0.0
28	C26 H26 O10	499.15988	499.1605	0.084579006	499.1599	9859	7046	8329	6157	11633	6951	1249	2371	14501	22954	9861	1757	26332	5922	3162	4118	0	13161	17186	17216	16913	11795	5409	4356	3879	25254	3293	9447	0	0	2115	1344	3234	0	28219	0	2491	2515	0	9232	8397	0	0	0	0	8933	7884	0	1389	0	6201	9556	12189	0	14547	12106	4211	3292	2120	1554	4113	5702	23551	12083	3152	15172	6175	2153	25894	35565	40672	1983	1498	0	0	0	0	1175	7855	10587	8268	7241	1859	6223	13989	6333	8197	3072	3022	1911	3146	5370	3351	12050	16523	0	8362	7004	7603	16348	16944	0	2014	3329	4142	3357	11212	0	3196	17940	Phytochemical	0.3846154	1.0	0.0
12	C26 H26 O10	499.15988	499.1607	0.14543211	499.15994	8052	8191	9730	9345	5605	4577	4160	5692	5929	13545	11136	3566	3812	3149	3377	10256	4406	6835	6109	17326	15379	10224	3725	10048	5040	17817	5900	0	4181	5995	4696	6807	6685	6863	22925	5766	4728	3409	8221	10024	26211	2828	0	0	0	11082	15073	0	6780	8896	8261	11830	5099	0	4062	4842	2415	8628	0	0	0	10592	4421	7713	2401	5197	4089	8756	0	18382	23426	5386	6955	5428	4272	5798	0	3501	7018	0	7115	8086	5816	6555	6700	4118	9172	2191	3376	11837	5120	4287	9573	11615	8852	0	10047	9890	6720	5464	6508	7012	3475	7525	0	5008	3641	0	7479	5700	Phytochemical	0.3846154	1.0	0.0
18	C26 H26 O10	499.15988	499.16058	0.10119037	499.1599	105107	102024	93608	83682	104156	60831	32667	54449	98438	336895	174045	34728	119305	54910	37079	55835	32368	99993	111894	228463	213225	121646	54709	55572	46795	249347	35249	148345	38839	36787	40027	42513	45857	39383	363400	33866	54543	39321	37078	152133	127258	37760	2078	0	0	121764	112073	415	43229	34969	103605	96892	62379	0	99698	80451	46073	57132	38992	31752	46027	98789	128282	79923	41486	102784	54840	39083	193059	306020	314043	40092	37027	34388	34728	41076	0	32585	89516	78716	66359	104663	40200	121567	109901	57613	67099	39105	44114	46864	75074	78072	57117	103857	145369	0	89878	85494	99176	97400	89712	43932	34280	48525	79344	44203	78224	0	48023	108227	Phytochemical	0.3846154	1.0	0.0
8	C25 H26 O9 N2	499.1711	499.17206	0.22781181	499.17123	2830	6616	5431	4248	2471	1654	1700	1627	4427	18803	9304	1271	3659	1429	2086	2963	1957	2009	4845	15485	14807	7604	856	3403	1265	7847	1430	6738	1611	1881	2403	0	1580	1636	20075	1260	1535	1521	2578	10558	11823	1557	501	0	0	8361	7360	0	2667	2517	4281	2704	1787	0	4381	3670	1499	3145	0	3087	0	6263	3495	1837	0	2627	2080	4205	6985	10726	15143	1891	3311	1396	0	1379	0	1039	2731	6087	1841	4027	1726	6804	2599	0	3248	1462	1158	4268	0	0	4942	9112	11130	0	4451	2638	2148	2952	2880	3397	1071	0	0	1985	2927	0	2493	3367	Phytochemical	0.36	1.04	0.08
22	C27 H30 O7 S1	499.1785	499.179	0.31394964	499.17865	23895	22049	22931	20712	22855	18725	9618	25056	22168	55008	36372	10970	25571	0	27536	20073	6657	29295	21599	39951	46064	36944	16977	24413	23479	39702	7106	17650	24718	16478	29697	23138	23083	19833	59090	20335	29591	17027	10354	67141	20765	10280	0	0	0	52520	23029	0	17432	18569	30574	23212	13831	308	46800	11992	9718	18817	23034	7312	12638	36126	34324	26203	8966	18341	16057	8244	47528	97404	50073	28425	17108	23671	6997	18486	259	20476	15970	25440	13426	34863	12591	30464	22006	9053	15732	8604	12943	7413	18412	22929	22530	32256	37513	0	23087	22101	10857	11095	11080	19060	13581	19243	27361	21313	14017	0	12036	31639	Organosulfur	0.25925925	1.1111112	0.0
26	C23 H30 O12	499.181	499.18155	0.24865627	499.18112	0	0	3578	0	3280	0	0	0	2250	6157	7292	0	0	0	0	0	0	0	0	0	10085	4369	0	0	0	30779	0	10609	0	0	0	0	0	0	6390	0	0	0	0	9731	14907	0	0	0	0	0	0	0	0	0	0	3542	3555	0	0	0	0	0	0	0	0	7493	0	0	0	0	0	0	21842	19283	59752	0	0	0	0	0	0	0	0	0	0	5378	0	12311	0	0	0	0	0	0	7397	5731	0	6216	8551	0	0	0	0	0	0	0	0	0	0	1850	0	0	0	2235	Phytochemical	0.5217391	1.3043479	0.0
18	C23 H30 O12	499.181	499.18173	0.12823506	499.18106	158515	141931	144318	147035	92110	104224	69123	192825	135270	345191	104433	68419	179864	52957	167744	109911	45650	171699	186528	275878	217240	214082	134494	147742	150136	46382	62539	79421	177289	127307	171480	145842	178582	147607	393562	155892	190765	115020	54202	224605	63614	78567	2792	0	383	264699	95561	0	143935	139431	137904	145002	93204	453	259822	88889	62680	125815	192440	36922	133694	138087	190745	148057	45863	126924	97480	42830	45866	147596	75250	173794	145983	168212	56649	141721	0	134558	92398	68071	95826	142329	91467	96241	78400	85488	79632	54737	87253	44058	124252	186273	170266	93346	155981	878	150603	134191	92170	54728	55966	121066	91934	140726	137688	103816	71557	371	88088	180230	Phytochemical	0.5217391	1.3043479	0.0
16	C23 H30 O12	499.181	499.18176	0.13019188	499.18106	151708	146279	134412	153681	88029	89718	92877	335892	123927	327141	115902	86987	148304	41662	314322	122930	65576	139939	156330	271836	211537	404920	256480	145112	132230	64158	73702	96709	164267	142921	330510	167499	179585	128899	820286	156852	343264	234354	74709	400546	87155	66536	2952	0	0	488400	132968	0	325252	311158	158540	153470	90317	282	189914	82124	56921	128450	338940	60956	148789	129938	148430	130206	52693	125642	89218	72651	58287	144919	85608	354396	302386	354236	76764	143129	401	132595	118221	96703	111731	301334	111326	113509	88387	69238	93758	61984	80726	73018	117696	314794	194748	102364	170978	879	150817	156399	93552	67015	69214	139872	96917	165011	148159	148161	72512	0	92288	143674	Phytochemical	0.5217391	1.3043479	0.0
12	C22 H30 O11 N2	499.19223	499.19296	0.074592635	499.19226	253144	301172	277288	218568	79894	74884	195160	391716	126842	296084	167040	194564	159386	45196	304749	342350	178068	192494	318342	374662	397286	293442	327996	391698	209994	127828	122390	53164	236918	192053	346800	208158	269866	297482	499010	288618	270542	247002	178242	314728	213798	170424	0	0	0	540738	265994	0	361742	316550	192084	287156	200096	0	262764	90863	88956	298018	321602	182400	279604	263218	202194	124444	69268	127080	154200	189708	53230	249826	157754	303750	274032	349722	165210	189112	0	274800	184024	49768	282320	177458	248346	247054	148756	91248	219148	117838	160708	246558	191430	372680	490656	139328	206726	0	221140	326396	93032	81594	92102	293492	207126	266658	114536	247038	104564	0	158470	276947	Lipid	0.5	1.3636364	0.09090909
8	C22 H30 O11 N2	499.19223	499.1931	0.0713178	499.19226	18309	18508	13948	19787	5536	5836	9949	19741	10455	19954	7262	10288	15607	2957	14147	20067	12170	11905	17547	17031	18760	30119	16083	20168	11645	2063	10901	4964	19894	18112	18618	21410	23088	15493	27326	20381	23821	10443	14387	19129	16649	6400	0	0	0	19666	15304	0	20112	12418	18750	20724	9506	0	17968	7327	5795	17504	16860	12906	23937	13317	16854	16378	6004	11238	10184	20039	0	5473	2605	21463	17443	15176	8682	15644	0	14904	16118	7148	7610	8955	9287	6297	10247	5866	11726	8918	12490	22918	19090	27644	29809	11571	17222	0	19181	19285	4379	10684	13044	19468	8809	26966	8686	17592	7759	0	9692	15867	Lipid	0.5	1.3636364	0.09090909
10	C22 H30 O11 N2	499.19223	499.19308	0.07931304	499.19226	26494	25177	23242	23602	7547	8931	16628	32844	15797	22069	8215	17757	21543	5376	24086	26245	18094	21375	18719	21365	26879	44466	24195	36329	21858	2203	14211	6327	34550	21932	24002	25963	37326	26184	35579	29663	36091	18649	18569	29244	16249	12458	0	0	0	29342	16443	0	31800	25262	23718	25075	11819	0	20908	9006	7828	31975	33066	16526	32974	17855	22446	19707	7455	15167	19075	21577	0	6356	6978	29545	25256	29284	14463	23753	0	21090	16956	8415	16454	15037	20936	12245	14036	12379	18466	13740	13473	26076	34957	35410	54183	15907	24533	0	27105	27979	8354	8640	11375	28349	14417	35523	0	29974	10598	0	16823	20993	Lipid	0.5	1.3636364	0.09090909
26	C27 H30 O9	499.19626	499.19696	0.06362446	499.1963	36511	35374	39533	32066	52260	26281	9463	21334	55497	80885	58330	13988	79922	34952	21403	26529	11607	53904	62893	88914	94522	36488	30894	26864	16599	131943	7348	53432	9460	11558	17887	14969	20968	12010	102252	14261	27281	20819	13531	57399	52605	17287	0	0	0	36820	36618	0	17647	17218	36123	36641	33232	0	59593	59700	17044	20996	14775	12380	25727	36465	67579	43695	18480	53809	26897	18557	127706	149404	174401	17079	15410	7762	14677	12338	0	13905	42916	30867	35020	31146	10181	44980	64778	29420	34664	18561	16746	18351	20877	21303	29107	34265	41418	0	38112	42277	40372	65018	60858	19832	11114	27832	19602	19514	37144	0	15654	63133	Phytochemical	0.33333334	1.1111112	0.0
20	C27 H30 O9	499.19626	499.19693	0.098044	499.19632	209663	223804	202067	184138	201070	129979	94244	147298	208471	480453	300941	102915	237209	150728	145217	159500	98306	200937	247411	485384	445888	214103	135868	180840	117268	645834	84699	269776	131182	108843	112527	129371	158774	119854	540250	113158	169252	113490	101854	327913	281965	96921	5632	935	0	203570	219145	0	127318	114226	217069	220764	135685	715	204088	187571	108922	145079	124805	99909	156712	198642	248357	190312	98399	202478	138641	118152	468119	752750	761793	129110	117155	125680	97332	117263	459	102617	219340	132231	157752	138893	130454	287938	232077	122159	197814	110715	120476	155667	171747	184557	207214	146593	199624	973	202893	200189	191916	200158	191899	147004	102578	170447	139837	140553	176327	816	136050	254725	Phytochemical	0.33333334	1.1111112	0.0
22	C27 H30 O9	499.19626	499.19696	0.100698784	499.19632	195732	182924	161342	180566	206221	130196	68132	118773	203410	460829	301162	75765	226522	147208	113258	130830	64873	221009	208347	446828	412839	208538	130844	138399	113464	556771	64851	263237	101671	95825	100706	112191	127902	91871	531486	98072	144834	95649	76897	286657	226099	94662	3001	0	336	212864	167282	0	107951	106371	195751	176905	142292	636	205250	195171	104271	132432	107707	69022	128209	194266	245995	174628	87944	194685	124529	73041	480090	784586	707738	112129	86644	89253	61156	92928	372	89899	188603	110657	144061	134507	89058	203415	235540	122281	159293	94247	100099	117876	142815	162156	175629	139278	201927	0	165333	179301	169449	207831	187205	111085	80955	130265	142532	122296	163859	0	101377	258078	Phytochemical	0.33333334	1.1111112	0.0
28	C27 H30 O9	499.19626	499.19693	0.091371514	499.19632	16313	12484	17069	13035	16935	9883	3630	6552	14340	33107	18386	4318	34476	10136	7288	9547	4359	19319	20447	24124	27898	14560	10516	8621	4496	45650	5156	18164	4615	5566	6956	5660	6455	6230	37223	5112	8476	5507	4892	13119	18439	5914	0	0	0	10434	13002	0	7216	7325	16621	11456	12151	0	20514	20847	6425	7615	5636	3689	8190	9974	23667	15021	6190	20519	9751	5322	46219	56909	76412	5275	3482	3644	3076	4094	0	4809	15900	13294	10865	9784	5066	13987	22791	10595	14182	5546	5993	7264	7654	11685	8620	12881	18411	0	13051	15812	13892	24868	21064	7518	4435	10119	7026	6523	14283	0	5672	18725	Phytochemical	0.33333334	1.1111112	0.0
18	C27 H30 O9	499.19626	499.19696	0.061598744	499.1963	163803	167238	146066	135617	126804	81276	76229	130615	127879	306975	206418	82277	147059	83683	104240	130790	94768	125525	146874	296164	279354	141743	114533	137324	84494	378339	81296	166882	108931	94980	106282	107516	119799	102444	277543	103700	112173	94419	125511	199923	204289	67944	3136	377	0	148490	135175	0	127503	103553	172466	139377	96031	272	141699	125209	74364	128296	93499	87933	112500	127167	159651	125425	59295	142988	97900	110026	324964	397764	511019	100046	85018	94309	84529	111677	258	90536	169536	101886	150560	109351	101088	152553	158047	85612	154416	69820	83402	138544	122014	119999	157264	95505	158066	532	152832	146252	131759	138364	134045	104045	83956	122120	79997	113333	106487	0	103650	135332	Phytochemical	0.33333334	1.1111112	0.0
24	C27 H30 O9	499.19626	499.1969	0.08353147	499.1963	96905	94858	89938	100767	118581	74815	32482	56972	120265	242814	143191	33504	172556	70658	51895	61128	31191	118679	143115	223957	216785	95039	72113	67621	51954	295031	32374	147570	50355	38191	42396	44575	53623	46519	294738	45619	68167	48591	34205	157244	120859	44507	2623	0	0	112119	92919	0	48451	41965	87042	101876	78905	0	128281	113560	51408	65453	52825	31531	64499	102977	145929	104817	46109	123236	66486	41102	276105	414240	397410	50233	45544	32835	24518	38174	0	38857	108422	59014	85460	71898	38879	117601	143812	67057	82996	50379	59225	49471	68222	72670	80221	72163	113500	0	100982	94995	98283	112839	122105	53286	35109	57349	70906	62696	97857	0	50230	157657	Phytochemical	0.33333334	1.1111112	0.0
10	C21 H30 O10 N4	499.20346	499.2044	0.23371619	499.20358	7125	9700	7142	9122	1436	5340	8171	14114	2210	7203	2796	4890	0	1154	9932	8994	9432	5214	4739	27880	21690	11496	6439	15150	8701	5088	8065	0	11297	18981	8683	13118	10761	5500	7095	11070	5133	7182	5518	20940	5944	2371	0	0	0	7089	5737	0	9494	17653	18340	9157	2698	0	4629	2657	1421	12170	4636	4474	0	3521	2483	2603	1425	2284	5152	8508	0	5020	4604	18949	8089	17768	3525	5850	0	7651	8441	0	2012	3201	7044	3121	3350	4398	8229	4546	4350	9895	9266	8207	16277	3516	5112	0	7692	4187	2805	2939	3552	10391	5170	11726	0	7521	3412	0	9574	5541	Peptide	0.47619048	1.4285715	0.1904762
22	C23 H34 O8 N2 S1	499.21088	499.21234	0.643662	499.21118	58918	41394	68845	53911	46898	48130	19053	96548	50961	122671	26677	16535	70710	16552	64966	53693	16108	50156	58446	113211	92226	62446	43471	76824	74334	79452	13678	38632	83433	58159	77661	72368	68653	65749	150773	68833	104556	33787	14502	62213	19369	36660	0	0	0	45811	21071	0	61225	47762	59773	52736	48222	0	106082	33570	16714	62077	75726	14052	58864	30109	53153	65678	10149	42494	47301	21138	65244	93397	70166	71903	58428	70346	32416	53852	0	55749	50189	15819	32446	15659	28237	39047	39753	27604	37706	21887	30359	19743	76962	92101	88325	30152	54576	0	58285	57742	25103	27937	31016	59436	38938	61798	32228	54016	21334	0	22470	79303	Organosulfur	0.3478261	1.4782609	0.08695652
18	C24 H34 O11	499.21738	499.21805	0.019266011	499.2174	112152	90818	104984	94952	55932	56083	68619	122785	73056	188892	71508	57325	92135	35811	116429	97743	41174	78034	98326	176714	110075	116577	99961	120175	110340	31685	54189	63670	129436	102655	124740	122064	134748	114967	188798	112425	135751	90735	55048	105979	28691	58578	1598	0	0	104506	40541	0	118730	102863	94435	92987	47931	0	143350	58355	41446	112180	122037	34304	100319	66070	90403	82491	42049	76173	57999	55076	27270	76539	48292	122129	105071	129084	55031	105050	0	88560	89492	42112	75135	60908	87253	56557	53635	51987	74740	49138	55884	44876	103519	117315	140296	46624	75492	634	105759	105630	54723	47221	40952	121256	64624	122097	52796	98386	41789	0	72010	86094	Lipid	0.45833334	1.4166666	0.0
10	C23 H34 O10 N2	499.2286	499.22952	0.23193476	499.22873	7445	5443	7172	5330	2508	0	5658	7752	2584	3433	1603	3513	4715	0	8342	7785	3461	3486	4072	6556	3847	14465	5116	9707	9281	0	4381	0	10373	6185	6425	10912	10622	7556	5417	9042	9955	6336	0	8144	1645	2739	0	0	0	5840	2372	0	10359	4075	5677	7105	2638	0	7481	1704	974	10488	4522	3051	0	3725	2773	2992	0	1450	3497	6663	0	2368	0	6964	4770	7844	3689	7148	0	8280	4927	0	2032	2078	2806	2390	857	1667	6700	2066	2562	5932	9616	9780	20099	2795	3257	0	5673	5620	0	1337	1257	5987	2131	9026	0	5198	2224	0	5908	6591	Lipid	0.4347826	1.4782609	0.08695652
26	C28 H34 O8	499.23264	499.23334	0.081259586	499.2327	94540	103830	90847	90745	118171	64765	34984	88626	116229	152444	136815	44623	165754	76066	70750	80336	47354	115646	132230	224650	202045	91935	77076	94316	64109	314823	29921	137031	80211	67230	59151	60814	81368	54026	190766	80818	93622	54643	57562	123984	128235	58206	0	0	0	102673	74799	0	74994	74943	95379	98180	87457	0	130664	136914	54104	81857	59181	43239	86979	79989	129702	93606	45732	115549	78127	56083	307623	326756	369646	60421	60965	60745	45491	58003	0	48206	99595	70740	72763	58275	55771	99204	148405	82835	92203	54958	60863	64768	76135	87385	114646	63778	100531	0	100852	106872	79545	148412	157699	86247	41341	86284	64151	67589	100598	0	60998	125259	Phytochemical	0.2857143	1.2142857	0.0
16	C28 H34 O8	499.23264	499.23337	0.01916482	499.23267	40573	51533	48482	51174	35295	18291	42813	47684	38709	50950	38299	38906	27084	20229	35250	63863	59684	27198	35617	55637	52753	40219	43295	46410	37710	74224	34783	32843	42008	43929	41843	37410	44990	22819	52619	42836	41424	40671	67950	32533	51116	22390	417	0	0	31512	36845	0	46195	44047	46172	53025	37083	0	45822	39053	25745	49865	31452	53998	54234	22845	35948	36173	19694	30829	28744	60942	51031	83374	99058	37627	30835	44644	53018	41299	0	35521	67797	26578	49737	32145	42409	33322	58912	32037	68396	21039	24871	90758	44302	49582	57878	21066	34981	0	51171	44788	33781	45200	53281	41395	31977	46227	19686	49170	36388	0	54371	30430	Phytochemical	0.2857143	1.2142857	0.0
28	C28 H34 O8	499.23264	499.2333	0.08388869	499.2327	24353	21763	22323	21118	31382	14918	12036	21306	29750	35231	31178	10113	45689	16894	13516	19373	13253	25516	30700	33547	42529	21132	18011	20603	14163	87485	11264	28649	14222	14906	11584	12674	18870	12662	49697	18183	18188	10896	13805	26224	34201	12146	0	0	0	15254	21156	0	16831	18510	24020	23174	22225	0	31708	29436	12929	20244	8855	7298	19350	16168	34612	21796	10506	35030	15532	12046	82224	89536	124229	14472	10161	10081	9508	9210	0	9763	24510	16300	19199	11529	11176	24796	38945	13962	25837	14377	11611	16739	17691	22472	23380	12546	13909	0	24564	20269	22049	49605	51303	21256	9799	22181	8899	16524	25363	0	12091	28498	Phytochemical	0.2857143	1.2142857	0.0
20	C28 H34 O8	499.23264	499.2333	0.08632423	499.2327	275694	274700	269625	241894	270327	158979	156857	218711	264484	367178	291939	169268	253229	166532	209289	280460	221808	209385	311764	420013	445657	224931	214829	259667	185021	680238	162184	269150	201552	207475	197641	194889	242432	174079	416676	191191	251009	183186	223020	276954	316190	148880	5599	791	336	196113	210931	603	219770	194604	273498	284425	200671	911	268363	247882	156650	234314	176917	170628	254508	203788	295267	231862	142370	243851	155375	227201	541976	726777	871393	178202	178422	201401	205588	210888	299	172345	324115	166653	249868	139628	202559	284311	316059	167305	301992	149952	159909	278978	270050	239490	296639	174062	192765	947	263098	259399	216162	282423	299558	246893	164466	250516	144107	215705	237584	868	218839	267849	Phytochemical	0.2857143	1.2142857	0.0
24	C28 H34 O8	499.23264	499.23328	0.09594715	499.2327	259271	271327	256512	250711	283397	169184	103554	190092	282502	487000	383547	115170	364549	159077	183096	222692	128147	251628	349669	570506	536737	236454	196821	232979	166449	826783	96847	360134	174539	164840	163087	178998	221384	167310	562738	179253	241755	147360	138325	379443	298141	126451	5451	0	0	229765	174147	0	193121	168853	249671	255968	217252	0	316555	253267	133912	219635	168348	103851	221066	241948	334477	231319	113040	290179	172038	147143	691711	1009329	938574	177323	157227	145824	103296	154699	0	150899	271015	145437	211695	166372	144454	263274	330249	165687	237566	129543	164501	168960	216098	239246	276668	175254	256118	0	265386	259221	204856	284370	299326	210601	112285	227538	157443	191662	228685	0	155237	317977	Phytochemical	0.2857143	1.2142857	0.0
22	C28 H34 O8	499.23264	499.23334	0.09510942	499.2327	364692	384414	357655	374219	406308	225456	179834	285544	364149	554418	464232	188525	358670	217228	264528	329789	214785	349020	391741	710352	701841	313188	279024	316645	239901	1108725	166663	444845	265509	263812	242789	287010	323800	227208	680679	260090	326068	244883	233257	458278	405174	203725	8173	0	371	313038	281491	0	287583	263467	379870	355419	278920	902	384399	338131	204275	304099	231492	173131	303626	297014	418050	329001	173051	365128	244398	238382	870016	1226997	1284960	244881	229673	225723	185061	256072	329	217224	399249	209098	309878	207530	214605	319797	463355	239729	373996	189846	230393	267566	329055	350813	382384	237477	316528	0	322503	348313	295538	406291	371718	353302	210647	340675	196115	264691	323396	0	231780	388832	Phytochemical	0.2857143	1.2142857	0.0
18	C28 H34 O8	499.23264	499.2333	0.013516567	499.23267	144162	140966	129184	125042	111859	63457	97027	124500	111073	163806	123592	88727	105379	69622	102778	151612	131986	85644	140130	188291	172230	105279	117258	128692	91190	251244	83350	115360	111558	107664	109647	122819	120052	86193	143512	112271	116628	98312	147985	114929	152136	77461	2484	0	0	100593	84538	456	132902	108805	124315	136753	98091	533	123227	112320	81021	142645	89639	93660	120988	79800	130912	103615	68373	107705	75520	152258	193707	239950	355758	80594	78609	108882	124881	128350	0	78193	183497	88278	145145	71318	100805	100963	145817	88753	159025	57842	78879	171317	126982	117621	161164	72925	99653	540	130117	116159	105156	140333	138355	125525	76445	123214	61224	98691	105109	0	119333	92859	Phytochemical	0.2857143	1.2142857	0.0
4	C22 H34 O9 N4	499.23987	499.24078	0.20948344	499.23996	624	848	1000	0	0	4472	675	996	410	0	0	0	484	0	622	0	743	577	782	0	0	0	303	1521	604	0	0	5302	0	0	909	0	849	0	0	860	767	423	0	0	0	0	0	0	0	0	0	0	0	0	1078	0	436	0	528	0	0	913	0	0	1562	0	0	627	0	0	552	0	0	0	0	388	379	677	0	344	0	587	345	0	638	0	0	0	0	0	656	0	488	1887	38248	16658	2775	1007	0	0	0	1211	0	0	0	0	774	0	0	758	271	0	637	646	Peptide	0.4090909	1.5454545	0.18181819
6	C22 H34 O9 N4	499.23987	499.24063	0.2557778	499.24	1907	3519	2611	2704	565	1145	0	1708	955	0	890	1172	0	1619	1169	1525	0	1172	1373	0	0	849	1169	3965	2532	0	0	8754	2588	1181	953	2261	2677	1437	0	927	2370	937	0	0	0	0	0	0	0	0	0	0	2337	722	1744	1890	589	0	1018	0	375	1345	0	0	2018	0	0	0	0	1224	1150	0	0	0	0	1037	1450	1047	0	1141	0	820	647	0	857	0	693	0	0	0	1575	545	1207	2113	61756	43668	3956	1093	0	0	979	1466	0	0	0	1532	931	0	0	2224	0	0	1364	1116	Peptide	0.4090909	1.5454545	0.18181819
10	C22 H34 O9 N4	499.23987	499.2406	0.2998402	499.24	0	0	1146	956	0	0	954	0	0	0	0	0	0	0	1423	0	0	0	0	0	0	0	1259	0	1471	0	0	2998	1049	0	1194	1880	0	0	0	1113	1582	0	0	0	0	965	0	0	0	0	0	0	0	1571	0	1565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1074	1447	0	0	0	1034	0	0	0	0	0	0	0	0	0	0	0	1236	46964	18361	2660	0	0	0	1727	2261	0	0	842	1262	0	0	0	0	0	0	1099	0	Peptide	0.4090909	1.5454545	0.18181819
16	C25 H38 O10	499.25378	499.2545	0.117555745	499.25385	9316	6166	7007	8132	3198	3360	10720	11942	2248	4160	1997	3639	5025	2662	6525	8446	14238	3538	4979	5063	3001	3456	9160	12346	6044	0	10270	4935	15155	13844	9795	10453	9206	9074	2364	16919	16306	8923	15331	4261	0	3488	458	0	0	3877	1572	0	17693	9483	7960	7940	4066	0	7304	1935	3607	9949	5693	5351	0	1147	4363	2312	4953	3335	5960	9581	0	5959	3538	7154	12831	16905	9701	14318	0	9624	11748	4841	6872	2057	6078	3872	4357	3948	10402	3526	3958	0	32707	4510	0	0	4568	0	5514	5821	4260	4699	4147	13020	7038	9338	0	0	2727	0	7832	4588	Lipid	0.4	1.52	0.0
20	C25 H38 O10	499.25378	499.2544	-0.018876923	499.25375	219415	214460	236893	216981	119254	183421	158311	565262	205111	324501	140925	129637	233411	79474	292324	264541	132173	294929	333590	404060	576435	190657	220664	499934	401739	232633	187367	150552	348201	302159	260520	296031	316530	238751	365081	493471	352717	175514	125813	246298	106000	154491	3441	0	0	291525	154076	0	298377	256473	199702	238727	142604	0	309602	245999	99132	262061	262215	90372	457025	154826	189235	193866	97840	190759	182000	139234	70722	235392	111188	257525	275728	528394	140510	244455	0	206712	187220	109299	153221	102361	217283	174244	248082	231799	162400	143015	262277	148361	458484	447281	382582	109357	159581	0	222543	242143	94157	100783	116833	326419	141893	345735	145431	267996	108595	0	238694	252838	Lipid	0.4	1.52	0.0
10	C26 H34 O6 N4	499.2551	499.25552	-0.1847463	499.255	0	0	1958	0	0	4122	963	0	0	0	0	0	0	0	0	1922	1924	0	0	0	0	0	1024	0	0	0	0	4066	0	1612	1552	1899	0	1869	0	1907	1177	0	1765	0	0	1203	0	0	0	0	0	0	1613	1473	1205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1115	0	1935	0	0	0	0	43870	0	0	0	0	0	0	0	0	0	2061	36407	8422	0	1964	1703	0	0	1494	0	0	0	0	0	0	0	0	0	0	824	0	Peptide	0.23076923	1.3076923	0.15384616
26	C29 H38 O7	499.26904	499.26974	0.08715247	499.26907	229373	220965	221999	220304	314653	138495	117963	211644	265333	249533	300219	120266	276864	166852	221005	231031	180822	243879	346239	410162	357697	199651	188831	217336	191035	683535	117780	339032	209860	196326	176692	200275	248256	145954	337618	227740	242727	159871	174946	267971	234992	150194	0	0	0	202024	164349	0	199624	205323	233280	212990	209466	0	317713	306086	138710	223066	175427	120003	231187	184998	272756	231299	109090	231221	192370	184273	570188	623960	605098	152151	163166	191302	134535	165259	0	142336	253269	181381	190507	132259	171019	234270	386150	192842	254240	132283	154411	187198	193499	216976	251433	175209	202735	0	218258	244884	187424	394155	382968	269012	122077	265717	145520	169921	282647	0	188230	236515	Phytochemical	0.2413793	1.3103448	0.0
16	C29 H38 O7	499.26904	499.26978	0.13058706	499.2691	9666	8043	11150	9508	5272	2158	12691	10794	9421	2845	3419	8237	6718	3545	10546	15290	28550	2990	6480	3373	5248	5709	9453	9272	9592	3001	16819	2253	5128	11306	9191	11843	13172	5490	2286	9613	8012	11522	29498	2047	6111	3591	0	0	0	5789	5880	0	10044	10372	13020	10038	6817	0	8195	12451	6914	12429	7595	8936	7392	1456	7594	5908	6322	2328	5285	33157	4885	6159	8033	3378	4911	12833	18954	9855	0	5701	21168	6557	17599	5006	13153	4169	17469	9556	22491	3862	4420	50951	6412	8727	0	5594	0	0	10159	10668	6422	17030	21107	9591	10044	13998	4101	0	17729	0	14942	7693	Phytochemical	0.2413793	1.3103448	0.0
28	C29 H38 O7	499.26904	499.26968	0.048525695	499.26904	45517	42724	38034	40276	63321	23917	32244	43131	48128	41103	47167	18339	65334	32707	32708	39443	32900	36352	66030	56479	54628	35924	31085	35154	37760	121738	28850	50669	40889	40167	30970	35385	46897	32797	55188	45136	45974	29101	35273	39145	48013	24685	0	0	0	31785	26143	0	36188	35646	37867	37560	42413	0	62338	69083	26827	39296	27465	18344	41177	26043	56034	43398	19746	53659	31764	35222	104308	93115	129971	23468	22646	30872	18760	31756	0	24488	56229	37838	32415	23461	30850	42507	76369	30519	62296	19571	24158	45066	35770	40793	45956	29851	24777	0	41198	44384	34367	101406	106608	49586	21112	43445	22291	36141	56845	0	28547	41711	Phytochemical	0.2413793	1.3103448	0.0
20	C29 H38 O7	499.26904	499.26968	0.033437863	499.26904	136205	140286	135003	126974	156651	77407	112836	122334	137141	95897	103992	102327	115952	93700	128449	179623	208877	105540	151993	129255	136493	106491	112549	131722	100606	200749	126440	102037	123298	123097	104640	115472	141605	81875	122947	120477	128030	106610	219305	92749	145513	87340	2404	0	0	83821	109435	626	127470	108255	137576	134149	122384	0	155502	154574	94630	159717	89485	118039	127994	60275	136925	120539	86373	110553	86233	234238	159983	194992	259700	72321	79616	116039	182815	112081	0	88583	211472	94870	138322	72109	111749	111012	206522	117232	215647	82770	93134	225446	121767	119467	161465	84632	94954	0	130730	146515	119998	216351	230756	157509	90624	139157	69252	120226	160662	0	140291	133232	Phytochemical	0.2413793	1.3103448	0.0
22	C29 H38 O7	499.26904	499.26968	0.05471999	499.26904	318763	300982	273793	288398	387566	186470	236495	287115	303408	269330	299009	204492	248616	197894	287135	348294	353899	273773	340637	353229	372251	226162	268212	264304	235775	645823	238427	290524	250012	242593	221924	253242	303457	193812	297169	266561	280533	284464	373966	262307	307551	188969	4471	0	0	189102	215988	0	252569	234453	304636	291647	283361	1159	370918	329749	220446	289350	183363	230308	288268	181697	315142	284567	175983	264088	214215	404345	448573	576807	737558	164248	178910	198755	283749	248484	0	194168	394622	201250	298404	155315	216267	226892	474577	251272	441861	193868	198825	378980	265324	292143	314589	190219	223415	0	271439	289150	269658	472214	414825	354373	186899	287328	137320	250300	360915	0	283923	283436	Phytochemical	0.2413793	1.3103448	0.0
24	C29 H38 O7	499.26904	499.26968	0.08660438	499.26907	399777	418847	382558	377235	547849	250864	249287	333542	451347	474237	517172	222030	450723	260477	305211	425409	335306	358791	591897	647848	576677	318231	320358	373366	268955	1087158	242862	498355	310381	303225	288360	329335	403926	254857	546995	343749	403907	270606	364842	470913	440272	219477	7319	0	0	298123	278124	0	339598	291494	409208	362510	370172	0	533727	424997	242157	401958	272363	230155	374772	289000	459718	388429	195311	381920	283976	385156	825198	991535	1125135	251924	245404	268104	262496	303924	0	234834	485458	263941	364647	216966	272669	336836	614484	330126	457384	224442	298178	384906	329579	360319	421930	271166	326992	0	396327	391966	358287	530079	582401	452857	212467	428996	197517	321115	473254	0	291374	417684	Phytochemical	0.2413793	1.3103448	0.0
18	C29 H38 O7	499.26904	499.2697	0.024692979	499.26904	46809	45509	45604	47839	39583	21197	56101	41312	43169	22472	26271	36054	30252	27502	42170	55382	89342	31373	51065	20949	35091	28562	35894	46272	40784	43142	54607	34724	47787	47238	43597	48191	52321	22057	25134	43328	43106	47982	106524	25720	37629	29453	572	0	0	22268	28003	0	49394	37043	54637	47641	43079	0	54496	50571	32424	63279	33664	42650	43833	15823	45158	33042	31525	28988	31778	109049	39834	49745	57676	22598	26294	37874	71921	50596	0	32100	84661	31091	57716	28364	41225	15425	74497	44684	71845	24010	27606	94313	43197	39959	51493	21740	34474	0	50855	50583	43603	78268	87277	55042	35280	48733	15790	48671	47989	0	60007	29008	Phytochemical	0.2413793	1.3103448	0.0
12	C22 H42 O12	499.2749	499.27594	0.13060667	499.27496	1543	0	1999	2038	0	1156	0	0	0	3558	3482	0	0	0	0	0	0	0	0	1689	0	0	0	0	0	0	23827	0	0	0	0	0	0	0	0	0	0	0	0	0	10374	0	610	0	0	0	4700	0	0	0	1220	0	0	0	0	0	0	0	0	0	0	0	4423	0	0	0	0	0	0	0	1922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7274	5112	0	0	0	0	1764	0	25199	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.54545456	1.9090909	0.0
16	C28 H38 O6 N2	499.28027	499.2809	0.005782957	499.28027	7833	3939	4908	6817	0	0	10886	22743	0	0	1650	9347	0	0	7568	12402	21658	0	0	2679	0	0	5474	9187	4476	0	11835	2372	10643	22518	19630	12341	8627	15346	0	17710	11402	4152	23474	8887	14160	3642	0	0	0	1951	2589	0	25147	23369	5549	6759	0	0	0	0	862	8694	0	13476	16379	2344	0	0	1096	0	0	24456	0	0	0	18128	18931	12449	17304	17623	0	7480	7470	0	6621	0	0	4227	0	2141	2243	4028	3233	0	5505	0	0	0	2185	0	7115	4479	0	0	0	14183	6655	5787	0	13121	0	0	7672	0	Lipid	0.21428572	1.3571428	0.071428575
6	C30 H42 O4 S1	499.28766	499.28784	-0.4922265	499.2874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5248	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39523	0	0	0	0	0	0	0	0	0	0	28485	8695	0	589	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.13333334	1.4	0.0
28	C30 H42 O6	499.30542	499.30606	0.04363405	499.30545	55883	60180	61673	53173	104676	29236	71428	63035	76625	31887	57722	29341	71613	44245	42554	55687	63226	43484	109695	53189	46122	42597	47154	45957	71021	102068	59637	65654	65686	68565	49653	56181	94111	38010	46249	75623	64585	46539	60814	46992	44347	41592	0	0	0	37381	26820	0	52873	55700	53357	58166	70090	0	107225	104882	44287	61573	50931	33517	56958	36306	57084	66096	32928	64167	58654	72053	73267	55956	61468	28680	33878	62336	30331	46063	0	37701	90840	75507	47300	36190	61078	55315	153923	62789	116229	35756	43122	66726	55182	67138	61624	62385	31740	0	58867	55626	63964	184671	208982	104496	30858	80933	39872	53000	131373	0	50465	48630	Lipid	0.2	1.4	0.0
26	C30 H42 O6	499.30542	499.3061	0.04392608	499.30545	206080	194707	203079	188584	359197	126229	165676	196600	282843	114309	207595	122685	223891	179388	174796	219476	245900	191740	366235	220448	183005	154438	150271	173255	197906	359341	170595	221175	214637	223453	157873	212831	256647	128258	152383	234903	223434	156765	228182	177973	198088	144552	0	0	0	143892	149084	0	180166	182905	218229	191872	267276	0	350243	352342	175833	209688	160552	142260	208913	119672	221968	243173	116632	188842	205576	260719	278645	224360	237522	104769	129703	202984	161661	188412	0	127008	261642	226786	181444	125504	192834	175706	493841	264255	305085	148935	175784	225526	206423	204915	217862	183112	144688	0	195304	234067	241326	530449	529738	322054	118047	236693	125141	159563	415314	0	198305	178775	Lipid	0.2	1.4	0.0
20	C30 H42 O6	499.30542	499.30612	0.062209394	499.30545	18211	23253	22050	19667	27010	10318	19441	15717	25246	4738	7754	18092	14687	29462	17249	27647	56750	9981	28951	5171	6297	8189	11896	14332	16932	4784	31875	6508	17225	14757	11343	12161	19542	6487	8033	17543	19185	20282	49943	3914	8626	12473	0	0	0	7043	8467	0	13233	12375	17361	22512	25152	0	25957	36274	22319	19629	5517	21961	15356	2199	17796	16186	18119	13196	16493	61931	5220	4461	12055	1586	11550	12094	37782	14388	0	13767	36910	15383	21790	5464	11836	0	53887	28904	51278	10417	9505	52498	23138	17174	21369	9493	8822	0	16378	19032	26308	60585	69289	25516	14667	11811	9951	20837	42336	0	31739	15405	Lipid	0.2	1.4	0.0
24	C30 H42 O6	499.30542	499.30603	0.015941044	499.30542	186165	179456	167178	177249	305597	104537	155786	136461	214562	97742	145406	118127	175922	161032	144339	204294	275490	161564	301978	146058	129167	123497	128339	141612	146488	226717	154779	149536	143530	158435	124561	159938	194883	105067	112424	176977	178894	139805	278803	122664	146292	117361	4921	0	0	96575	119856	0	162720	147416	171333	156014	208091	0	281233	250921	145215	184128	118977	140034	170793	85246	196237	198696	133570	168103	160311	289706	154497	169052	213480	78461	100129	141482	170130	157377	0	109428	237129	145985	159329	94136	140010	106429	393202	236631	278064	128187	158588	275479	178770	183890	199091	134622	138375	0	163592	188949	191242	363207	422737	245988	99033	189939	86605	140915	328768	0	162174	163448	Lipid	0.2	1.4	0.0
16	C23 H46 O11	499.31128	499.31186	0.046844	499.3113	1694	1815	2617	2332	0	0	0	0	0	4861	1319	0	0	0	0	2817	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3979	15021	0	1244	2468	0	0	0	0	3187	0	0	644	0	0	1629	2356	0	10658	0	1717	2019	0	252	0	0	0	2542	6502	0	0	0	0	7809	0	0	0	0	0	6286	0	0	2505	0	0	1902	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20441	0	0	0	0	0	3726	0	0	0	0	0	0	120041	14227	0	0	0	0	0	Lipid	0.47826087	2.0	0.0
28	C31 H46 O5	499.3418	499.34244	0.005188771	499.3418	14002	11722	15372	12608	29453	7477	33526	13042	29280	1683	10459	4873	9893	8766	13969	9172	17480	8905	34932	3839	2804	7309	10697	5362	33857	10378	27533	14858	17464	16301	10967	14307	22181	9529	2174	19746	18291	20434	15605	5118	4193	10166	0	0	0	5109	0	0	9232	14778	13583	13430	20600	0	44367	32320	14669	11421	16054	3732	13524	6630	11944	22693	14303	12185	16223	18187	5718	3701	2633	4290	5734	17154	6462	12658	0	9720	32897	16879	15351	10294	21363	11317	71884	35141	58611	7877	11704	23603	14098	19055	18952	14107	0	0	16083	15496	28582	64896	72984	28554	9490	14545	8013	14775	70792	0	23550	7397	Lipid	0.16129032	1.483871	0.0
24	C31 H46 O5	499.3418	499.34238	-0.018323934	499.3418	7432	8434	8041	8983	9774	3319	17315	5621	12421	0	0	5388	3141	11621	12147	10053	22836	4843	10751	0	0	3326	4944	3706	14058	0	18903	5196	9076	8948	6416	5195	8496	4235	0	10778	5535	12242	23763	2702	2319	3591	0	0	0	1352	2888	0	5098	6516	8555	7595	7862	0	16757	21297	12870	8050	5993	7064	9484	1859	3815	7708	10485	2383	6884	22900	0	0	1245	1674	2616	6845	10182	9448	0	4756	17540	8671	8736	5161	7678	2518	30821	29169	28825	4689	5732	30738	8797	8124	6545	6673	2757	0	9097	9855	13877	33991	31368	14420	4871	7050	1213	7363	29378	0	13676	2148	Lipid	0.16129032	1.483871	0.0
26	C31 H46 O5	499.3418	499.34244	-0.040923975	499.34177	26402	27189	28545	22626	37981	11269	48165	22589	56206	1858	13842	13910	18522	23834	21780	27758	37623	15761	47644	9839	0	10298	16014	10240	43030	10400	45229	20943	24944	30476	16281	28976	38536	13520	4921	34248	31329	33953	38086	10013	6843	20935	0	0	0	0	10048	0	22204	23921	26686	28506	31300	0	65073	53593	27968	32049	22174	11222	29455	8936	16614	30248	27436	19037	31362	45445	6452	6826	5384	4782	11357	23544	20904	21566	0	21179	42364	26716	26181	14736	32744	15565	92328	70047	64850	16796	21606	49782	27958	33254	33868	13302	8341	0	25491	25567	43091	83552	100102	47161	15375	25538	13223	18896	83906	0	41667	13065	Lipid	0.16129032	1.483871	0.0
26	C28 H50 O7	499.36295	499.3633	0.1455677	499.363	13898	11509	14791	14230	0	0	17478	0	0	0	0	0	0	0	0	0	302384	0	0	0	0	0	0	0	0	0	18262	0	0	0	0	0	10480	0	0	0	2100	0	445735	0	0	0	0	0	0	0	0	0	0	0	15450	13155	0	0	0	0	0	2164	0	0	0	0	0	0	0	0	0	609181	0	0	10807	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14124	1858	0	0	0	0	0	9991	12908	0	0	0	10362	0	0	0	0	0	0	11584	0	Lipid	0.25	1.7857143	0.0
28	C28 H50 O7	499.36295	499.36343	0.1686557	499.363	1832	1150	4120	1914	0	0	5602	0	0	0	0	0	0	0	0	0	586379	0	0	0	0	0	0	0	2531	0	4517	0	0	0	0	0	5414	0	0	0	7848	0	461076	0	0	0	0	0	0	0	0	0	0	0	3081	1689	0	0	0	0	0	2271	0	0	0	0	0	0	0	0	0	627795	0	0	1225	0	0	0	8776	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1896	2521	1189	0	0	0	0	2437	2413	0	0	0	18362	0	0	0	2130	0	0	1139	0	Lipid	0.25	1.7857143	0.0
24	C28 H50 O7	499.36295	499.36337	-0.16641867	499.36285	0	0	0	0	0	0	2939	0	0	0	0	0	0	0	0	0	44131	0	0	0	0	0	0	0	0	0	2069	0	0	0	0	0	0	0	0	0	0	0	57050	0	0	0	0	0	0	0	0	0	0	0	1369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	86344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1559	1246	0	0	0	0	0	0	0	0	0	0	1229	0	Lipid	0.25	1.7857143	0.0
28	C23 H17 O12 N1	500.08234	500.08307	0.269103	500.0825	6848	5713	4536	4580	5912	4207	1290	0	8882	13464	1799	1380	12407	2833	0	0	0	12974	9767	5096	9972	18046	2099	0	0	0	1173	0	0	0	0	0	2076	0	15091	0	1323	2197	0	4815	4645	0	0	0	0	7228	10408	0	0	0	5997	3688	6992	0	11491	6102	1782	1163	0	0	2110	4083	14354	9417	3282	10745	1709	0	0	2165	3468	0	0	0	0	0	0	1156	6078	10394	3543	5577	0	1886	9966	4639	4394	2032	2481	2052	1803	1967	2721	16644	23362	0	4945	4693	4114	5628	6534	0	0	0	6404	1265	4868	0	1781	14709	Phytochemical	0.5217391	0.73913044	0.04347826
22	C23 H17 O12 N1	500.08234	500.08316	0.14210959	500.08243	7147	5507	6235	2676	7936	4589	2288	1309	14578	8410	4085	1911	13697	0	0	0	0	13072	8653	5977	14118	21372	1982	0	2170	0	1274	0	0	1149	0	0	2154	0	17480	1224	2384	1303	0	6250	9980	2073	0	0	0	10803	18548	0	0	0	5860	6222	7314	0	12395	12111	5417	0	2331	0	0	4968	20160	15329	2755	13725	2766	1613	2420	0	2601	0	0	0	0	0	288	987	7822	14129	3532	13581	0	3971	15235	6279	6567	2798	3069	2810	3709	0	2900	30035	32802	0	4902	4874	9172	13437	13703	2689	0	1897	8707	2035	7704	0	2351	16171	Phytochemical	0.5217391	0.73913044	0.04347826
16	C23 H17 O12 N1	500.08234	500.08325	0.25136757	500.0825	3662	6972	4130	5899	7339	2567	0	0	10259	8881	5540	1049	17613	975	0	0	0	8748	11536	10272	10802	22578	0	0	0	0	0	4136	0	0	0	0	0	0	28016	0	0	0	0	4576	20629	0	0	0	0	7994	23859	0	0	0	4734	4935	2812	0	8459	8969	2854	0	0	1962	0	6801	17982	10851	2389	10339	0	0	3943	1761	5548	0	0	0	0	0	0	0	2949	22386	2505	8141	0	2984	10118	4224	3157	2785	1606	0	0	0	0	35889	23174	0	5039	2896	6419	14480	6563	1564	0	0	9297	0	6710	0	0	17338	Phytochemical	0.5217391	0.73913044	0.04347826
20	C23 H17 O12 N1	500.08234	500.08307	0.14427005	500.08243	4402	5917	8658	7317	11777	5739	1459	0	13580	14442	5817	3126	20256	0	1798	2357	0	13793	13153	11710	19329	28130	6395	0	0	0	1502	0	0	0	0	0	4548	0	17517	0	2351	0	0	11406	10999	2824	546	0	0	11560	18577	0	0	0	5978	9561	8675	0	17168	9742	5654	1804	1068	1732	0	7885	28167	9961	3486	20662	5725	0	1739	2618	2513	0	0	0	0	0	0	1493	8601	27454	4309	9950	0	0	17040	8524	4234	5115	3244	2928	3259	2439	4989	42110	31427	559	12747	8564	8812	15654	9067	2254	0	0	13520	0	10914	0	1291	17168	Phytochemical	0.5217391	0.73913044	0.04347826
26	C23 H17 O12 N1	500.08234	500.083	0.041838057	500.08237	3620	3499	6992	3540	8425	2709	0	0	9301	13113	0	0	14510	3033	0	0	0	11048	7372	6118	7581	19084	0	0	0	0	0	0	0	0	0	0	0	0	13208	0	2135	0	0	5126	4627	0	0	0	0	0	12375	0	0	0	2691	3941	6335	0	14628	0	4270	2654	0	0	0	0	12317	7169	0	5947	2358	0	0	0	2144	0	0	0	0	0	0	0	4094	9973	3471	0	0	0	7959	0	4092	0	2652	0	0	0	4621	17039	30671	0	4395	0	4606	5738	0	0	0	0	0	0	5194	0	0	16922	Phytochemical	0.5217391	0.73913044	0.04347826
24	C23 H17 O12 N1	500.08234	500.083	0.08395493	500.0824	4218	3835	3181	3956	9832	3238	0	0	8531	8399	1183	1229	15189	2929	1664	1772	1942	9672	5875	5014	4361	18046	3090	1682	1398	0	1252	0	0	0	0	0	1937	0	11263	0	1657	1774	0	3139	5893	1388	0	0	0	7484	12447	0	0	0	6331	4251	1988	0	13787	6687	3196	986	1514	1101	1669	5668	13363	15066	3491	7800	4144	1469	1681	2207	0	1596	0	0	0	0	0	840	4226	14472	4235	7748	1322	1769	14295	5702	3203	3028	2361	0	0	1336	4532	23894	21068	0	6283	2207	4252	8235	9902	0	1641	0	7150	1346	5086	0	1129	15779	Phytochemical	0.5217391	0.73913044	0.04347826
18	C23 H17 O12 N1	500.08234	500.08313	0.12873131	500.08243	10544	6294	6807	7382	12404	2434	0	0	16490	12808	7912	1307	19118	4748	0	2202	0	11782	17171	12851	19439	30535	4131	0	0	0	1092	4084	0	0	0	0	0	0	25715	0	0	2047	1401	11200	16038	2858	294	0	0	10507	26190	0	0	0	5845	7080	3772	0	13446	10600	4398	0	1770	2439	0	9741	23924	13109	4110	10645	2718	0	3792	2133	5284	0	0	0	0	0	0	0	5895	23059	4795	16789	1446	2626	14563	5991	3597	1785	2633	3432	0	3197	0	33477	37469	0	6190	5802	11336	18051	18119	1859	0	0	14387	1761	5372	0	0	15297	Phytochemical	0.5217391	0.73913044	0.04347826
28	C20 H21 O14 N1	500.1035	500.10434	0.25640157	500.1036	5798	4549	4774	4383	8845	5595	0	0	9600	4556	2136	1744	14524	2060	2755	0	0	11691	7257	8587	16588	7869	0	2426	0	0	0	0	0	0	0	0	1986	0	6248	0	2234	1229	0	2925	9384	0	0	0	0	17826	52422	0	0	0	5127	5962	5513	0	7541	5965	2264	0	995	0	0	7900	8967	7047	2106	5850	3725	1911	5735	2235	7862	0	0	0	2364	0	0	0	952	6753	0	21840	0	0	8766	0	0	2003	3524	979	0	2620	0	9618	0	0	5473	5793	8570	4474	3060	0	0	0	39338	1872	5310	0	0	16262	Phytochemical	0.7	1.05	0.05
20	C20 H21 O14 N1	500.1035	500.10428	0.18652464	500.10358	7116	6094	8765	6439	17202	10954	0	1939	21609	2270	3190	3250	37507	6171	3417	0	1269	25251	16362	2072	13072	12073	8017	1630	0	0	0	0	2030	0	1620	0	3873	0	2994	1390	3591	2720	1397	2537	12721	7081	0	0	0	22469	77137	995	2079	1410	7648	6864	11694	0	30089	26505	7645	0	2234	4034	2330	10212	33523	15084	8022	11901	9506	1327	4482	0	0	0	0	0	2038	0	411	3775	4075	14685	3248	28931	1101	0	25551	6654	1652	3219	4726	0	0	3555	2660	20459	7335	0	8024	8317	19200	16612	21720	0	4519	0	62987	0	16473	0	1527	30163	Phytochemical	0.7	1.05	0.05
22	C20 H21 O14 N1	500.1035	500.10422	0.08385656	500.10352	4441	2585	4001	2332	11242	7867	0	0	16144	2559	0	0	12416	0	1772	0	1495	12993	10421	0	10414	5853	2845	0	0	0	0	0	0	0	0	0	1737	1579	3872	0	0	1859	0	0	4886	3039	0	0	367	21135	54096	0	0	1492	5672	3898	5533	0	16373	10317	2062	0	0	2278	0	7770	11932	9593	7156	8743	3257	0	3968	0	1988	0	0	0	1677	0	586	2354	2918	5209	1703	24766	0	1204	17695	3554	1896	1807	2635	1409	0	0	0	14499	6535	0	4511	6486	10601	6927	10665	2618	2731	1373	47146	0	8500	0	0	21632	Phytochemical	0.7	1.05	0.05
26	C20 H21 O14 N1	500.1035	500.1043	0.11197622	500.10355	3105	0	3432	3307	5879	5770	0	0	6977	4420	0	0	11375	0	0	0	0	10040	7219	0	8933	8405	0	0	0	0	0	0	0	0	0	0	0	0	4283	0	0	0	0	3205	6414	0	0	0	0	16477	61409	0	0	0	3110	2927	3290	0	5117	6265	0	0	0	0	0	6879	10185	7547	2581	3421	0	0	0	0	2613	0	0	0	0	0	0	0	0	0	0	21770	0	0	8005	0	0	0	2759	0	0	0	0	9738	0	0	4977	0	7370	3365	0	0	0	0	36746	0	6335	0	0	17281	Phytochemical	0.7	1.05	0.05
24	C20 H21 O14 N1	500.1035	500.10425	0.14846058	500.10355	2264	6363	3848	1875	6780	6620	0	1505	6652	3433	2750	1253	16760	2018	0	0	0	9224	2663	6297	7041	5332	2576	0	0	0	0	0	0	0	0	0	0	0	3260	0	0	1898	0	1254	1097	1790	0	0	0	15372	55170	0	0	0	1993	4365	3962	0	5874	8542	2585	0	1338	1444	0	5740	11496	8571	2122	5454	2568	1668	2635	0	2434	0	0	1393	0	1222	0	1161	0	3491	1230	21099	0	0	7259	0	1117	2397	2523	0	0	1954	0	6242	4904	0	3928	5773	9981	5146	5824	1877	0	0	28897	1391	5181	0	0	13378	Phytochemical	0.7	1.05	0.05
10	C20 H21 O14 N1	500.1035	500.1045	0.3627206	500.10367	6845	3334	7422	3315	13186	2128	0	2323	18032	1457	5171	3430	27680	2332	1532	0	2964	19009	19283	4412	15452	10788	5234	1742	0	0	937	0	1199	1302	0	0	1936	1823	5336	1445	1311	2137	1102	1976	8079	6601	0	0	0	7231	30071	0	1167	1411	6515	5479	6395	0	18811	20659	6067	0	0	3439	0	4254	34254	16208	7054	12616	5985	1963	0	0	1527	1718	0	1178	2892	1059	0	1903	3453	0	2681	6740	771	0	24380	6643	2602	6677	7382	2923	0	0	2826	18056	12363	0	4445	7594	18838	16634	21942	3770	2101	0	0	1576	18838	0	0	22811	Phytochemical	0.7	1.05	0.05
22	C24 H21 O11 N1	500.11874	500.11942	0.16145481	500.1188	11146	11634	10803	12074	15126	10825	0	1640	21129	47818	18812	2726	23767	6048	3855	3736	1499	28243	13594	30948	38116	41928	6348	3125	2585	13214	2491	12435	1743	1492	3258	0	4678	1281	51903	1734	3940	2351	1362	19634	16783	5076	0	0	0	30920	35453	0	2188	0	15454	12503	10263	0	25023	15920	7706	2992	3824	1432	6290	14616	28078	22297	3896	18629	4353	2405	16962	14299	16292	1851	1381	0	0	1918	0	1601	12440	28916	6601	20008	2238	12347	11194	7351	11393	5476	5245	3449	7317	5058	7158	42062	75548	0	5077	12301	11877	13006	13769	5861	2909	5583	22238	5817	10726	0	3856	27985	Phytochemical	0.45833334	0.875	0.041666668
18	C24 H21 O11 N1	500.11874	500.11948	0.16017206	500.1188	29777	22304	22213	26387	23517	12752	2860	3237	25771	107307	41243	4819	48972	13663	4351	8611	4729	35281	26797	50190	65205	70853	12868	6462	6656	29742	5403	29136	5500	2105	2143	0	8216	0	131353	0	7868	6035	5962	50730	42789	8746	940	0	0	43041	47713	0	2486	0	18948	22824	15991	0	36003	29005	9742	8626	7305	6064	6647	33073	55962	23183	10867	27166	9438	4520	26980	33555	47315	2173	1757	0	2186	5418	0	2878	10854	60746	8226	39981	6343	31439	26468	15815	10665	11715	9317	10606	11295	20849	13283	80700	95718	0	28370	23478	21965	21195	23340	7682	1515	8096	33185	5576	17225	0	4684	50702	Phytochemical	0.45833334	0.875	0.041666668
24	C24 H21 O11 N1	500.11874	500.1194	0.10296553	500.11877	7650	3795	6179	6939	8433	5868	0	0	10624	31019	7033	1453	12311	2314	0	2724	1418	13856	14544	14943	16047	24481	4717	2792	2322	7596	2402	3012	0	0	0	0	2029	1163	29199	0	2946	1207	0	12130	11705	2607	0	0	0	18390	19722	0	1358	1422	5643	5500	8418	0	12522	6189	3520	2210	1890	2837	1512	9356	15376	10413	3232	7215	3828	0	7702	6776	10871	0	0	0	0	0	0	0	7429	17878	2874	11566	1577	7010	12788	6850	2172	1587	1350	3041	3295	3388	3537	26358	40007	0	6567	6906	5716	6938	6561	2866	1920	2308	11156	1071	6941	0	2143	15347	Phytochemical	0.45833334	0.875	0.041666668
14	C24 H21 O11 N1	500.11874	500.1196	0.14614132	500.1188	13069	17435	12140	15755	17243	6202	0	1675	16302	72187	35636	1429	25887	6538	2426	3030	2180	15825	12475	31575	45338	45864	3537	0	1477	20385	0	14148	2330	1296	1074	0	4575	0	89162	0	3303	2742	3682	27595	41183	3743	0	0	0	23760	35251	0	0	1176	11648	13966	7749	0	17610	15528	5551	4430	0	0	0	25939	30321	12880	3549	22162	5801	3629	36090	31639	31590	1234	1236	0	2442	0	0	1108	7018	24473	5433	19863	2835	14436	17921	5695	5525	2433	4935	9505	7590	7625	0	51037	48768	0	8448	8802	10072	18334	13640	5209	0	5205	19794	2931	12382	0	2548	19590	Phytochemical	0.45833334	0.875	0.041666668
10	C24 H21 O11 N1	500.11874	500.11963	0.20316966	500.11884	1506	1799	2042	2668	2646	0	0	0	5544	17546	8851	815	7188	0	0	0	0	1752	2699	6838	11498	8538	1252	0	0	2630	0	5331	0	0	0	0	0	0	26388	0	0	902	0	5054	11680	1138	0	0	0	5738	11617	0	0	0	2174	2379	2366	0	4862	5615	1249	0	0	0	0	4933	6885	3408	1378	4681	0	1455	0	5480	11151	952	0	0	0	0	0	990	0	0	1164	5491	0	2622	5590	889	0	0	1346	0	0	0	0	7788	13362	0	2558	3901	4904	5337	4560	0	0	0	0	0	4336	0	0	8293	Phytochemical	0.45833334	0.875	0.041666668
26	C24 H21 O11 N1	500.11874	500.11935	0.045100424	500.11877	3482	4243	5762	4470	5571	2444	0	0	8536	17012	4119	0	12426	2208	0	0	0	9349	7670	6434	9474	13427	0	0	0	0	0	0	0	0	0	0	0	0	20385	0	1732	0	0	5865	6260	0	0	0	0	9040	12864	0	0	0	4967	4935	5799	0	9031	0	0	0	0	0	0	5905	12514	5443	2594	5749	3183	0	0	7318	9675	0	0	0	0	0	0	0	6162	9757	2597	5788	0	3609	0	0	3006	0	0	2810	2818	3261	0	18826	31534	0	3622	0	3213	5355	0	0	0	0	6789	0	0	0	0	12933	Phytochemical	0.45833334	0.875	0.041666668
28	C24 H21 O11 N1	500.11874	500.11945	0.2189611	500.11884	3865	3624	4303	3825	2255	2812	0	0	4543	19846	4790	0	6314	1104	0	0	0	6009	5129	6684	10309	11370	2118	2136	0	3218	0	1912	0	0	0	0	1832	0	17403	0	1543	0	0	3445	6269	0	0	0	0	6538	8226	0	0	0	3139	3958	3168	0	5548	0	1578	1337	1497	0	0	5007	8493	4860	1621	4627	1716	0	3393	7186	5072	0	0	0	0	0	0	0	2556	7690	2637	4979	0	1975	4029	3087	3310	1246	1454	1171	1849	2788	0	12402	23018	0	2890	3331	2555	2766	2781	1815	0	0	8150	1503	2869	0	1119	7856	Phytochemical	0.45833334	0.875	0.041666668
16	C24 H21 O11 N1	500.11874	500.11948	0.121078886	500.1188	15719	17603	19261	16121	20409	8915	3832	2322	21871	102350	39635	2424	40143	8715	5299	3676	3570	26000	23058	49989	61050	70158	8569	4679	5870	31399	1454	22203	0	0	2721	0	6550	1235	113271	0	3726	0	4570	50260	43897	7433	427	0	0	38800	43312	0	3345	1644	18619	22239	10129	0	23120	24414	8219	3367	7767	4149	0	27902	43763	20800	5256	26843	7988	2191	34268	37136	54124	2644	0	0	2952	1849	0	2696	10080	48158	6722	30795	5997	22867	22191	11906	9269	8199	8199	0	11303	15607	0	59952	81953	0	19508	20996	11723	18964	20042	5645	1515	3689	23600	0	12246	0	4800	37651	Phytochemical	0.45833334	0.875	0.041666668
12	C24 H21 O11 N1	500.11874	500.1196	0.15760112	500.1188	4553	5049	4392	5449	6203	6428	0	0	11397	23655	15158	0	14549	1827	1558	0	0	6530	8495	12325	16216	19375	2866	0	0	13239	1407	0	0	0	0	0	2066	0	51192	0	0	0	0	13433	22965	2368	0	0	0	9859	29809	0	1324	0	6594	6866	3443	0	8313	7346	1878	0	0	0	0	15969	21552	7929	3541	6529	2144	0	27601	18623	27542	0	0	0	0	0	0	1236	3195	0	3568	11094	1591	5343	8685	3434	2172	1331	1656	0	0	1973	3596	22383	17749	0	6794	3990	7768	11074	9202	0	1041	0	0	0	7825	0	1135	12651	Phytochemical	0.45833334	0.875	0.041666668
20	C24 H21 O11 N1	500.11874	500.11942	0.116010174	500.1188	15354	19522	13879	18071	22292	13700	2000	2710	27340	80996	33338	3077	38021	11778	3344	9089	4241	27947	25805	48339	54026	59573	7761	3660	6582	18932	4048	17408	4910	3331	3518	3172	7523	2227	101108	1843	10647	5244	3108	39942	34544	9005	631	0	0	45718	53215	0	7036	2448	22324	18190	10061	286	27861	20348	10277	2982	5613	4766	7201	32461	38741	30587	9997	26008	11745	3623	22409	31482	36188	5002	1186	0	0	2391	0	1949	8827	49204	10007	32566	3655	30242	27865	12344	14609	9184	7701	6912	10819	11451	8692	67383	76282	0	19648	15775	20749	22952	20213	4194	2746	4424	31886	6356	18258	0	3536	37742	Phytochemical	0.45833334	0.875	0.041666668
12	C21 H25 O13 N1	500.13986	500.1407	0.14219068	500.13992	70446	73975	66210	68250	69899	50573	40858	72312	88852	98998	78410	53924	131704	28769	61416	52924	62309	121723	134606	135972	172765	149045	88425	69551	23076	26385	26215	27582	52263	51538	45701	41047	62367	33897	141226	56773	51094	52759	53076	83474	146039	62351	3086	0	0	209773	404135	0	38144	63974	74153	64741	60712	0	133264	80365	42566	52145	66827	60154	50613	107985	139418	97232	40638	85467	52351	53810	64529	40689	55513	48968	45194	51623	47074	39422	0	46822	51369	133031	52640	149105	29434	38374	96842	58816	44677	38907	55953	55381	15190	48583	78973	130451	116047	0	78962	109503	101236	61746	79996	65583	49317	59157	374775	56949	92310	0	29014	136195	Phytochemical	0.61904764	1.1904762	0.04761905
26	C21 H25 O13 N1	500.13986	500.1405	0.099496394	500.13992	8264	10491	7212	7099	8110	10379	0	0	11390	18838	5332	3120	10481	3507	0	0	0	17872	9569	29435	29263	10027	0	5124	0	0	1842	2505	0	0	3900	0	2514	3403	17053	0	3632	3558	3297	15812	14797	0	0	0	0	60302	106468	0	4428	0	8964	7589	6432	0	6391	0	2995	4511	3913	0	0	18875	9404	8080	3790	5548	3202	3296	19299	16373	15821	4985	3434	0	0	3430	0	2787	0	6510	2652	47972	3442	6205	8280	0	0	0	2283	0	0	2119	0	7840	13642	0	9073	10717	8123	2355	0	0	0	0	56328	3396	7775	0	0	14915	Phytochemical	0.61904764	1.1904762	0.04761905
20	C21 H25 O13 N1	500.13986	500.1406	0.11626315	500.13992	42182	36487	37169	34235	47559	47724	10638	36712	55949	47839	26349	21596	77707	19435	33575	22179	21009	78662	70676	64004	72477	50461	33563	23636	15505	19841	9888	12834	29658	25237	19903	18450	16156	24158	48511	26517	30248	21266	17207	48239	49860	26621	1902	0	644	206094	305072	1009	18571	24251	43791	34160	38848	557	65210	45788	24557	14604	29515	18642	24023	57623	56946	50359	25844	36134	27606	16632	48935	25690	45291	30371	28210	29504	28975	15688	652	23277	20222	51902	21951	158110	13214	23611	59364	33185	12356	21966	29285	6928	8307	27498	25973	42033	56171	0	37709	45869	57713	26151	32369	32003	19368	26498	232720	23747	51343	0	11747	64157	Phytochemical	0.61904764	1.1904762	0.04761905
10	C21 H25 O13 N1	500.13986	500.14072	0.17297168	500.13995	52377	45171	34327	41671	35770	20884	21079	36934	40036	62944	47406	31686	72376	18451	25871	34654	44972	58150	65936	65966	98496	70861	37802	31899	10494	13506	15522	13155	26517	30691	26523	27604	35962	24085	89155	27798	31979	22642	33040	39964	72099	33132	1061	0	0	94704	170191	0	25723	33236	42550	39258	33812	0	75481	45638	24700	27641	24825	40530	35838	40208	74064	48645	22630	46064	27764	36038	42533	17534	30525	27263	27691	29200	29945	27187	0	19648	30592	44302	31242	56597	14390	13978	63039	29138	25846	22017	29700	34132	7606	20253	39159	68991	66938	0	45913	51212	47147	43483	51316	45925	22858	42226	110659	28481	48004	0	15464	61886	Phytochemical	0.61904764	1.1904762	0.04761905
28	C21 H25 O13 N1	500.13986	500.1406	0.22626972	500.13998	11634	9538	11477	9803	9580	12651	1245	5988	8242	21780	9044	3913	9320	3802	4720	2959	2574	16440	11241	29039	34776	10281	5508	4995	2365	7279	1439	2169	2176	3437	2653	2456	5044	3512	23098	4332	3444	2946	2863	16726	15784	3575	0	0	0	55071	89963	0	4387	2560	10068	8955	8946	0	7316	7091	3939	3465	5131	4261	6367	20256	8500	6764	3092	5045	4816	1768	18376	20349	24248	3838	3745	8699	3991	3719	0	4490	3254	8266	2906	38660	1424	7199	7107	4316	3525	1969	5412	2097	1841	4892	4444	8115	8903	0	11023	12127	9241	3337	0	4634	3410	4467	55297	3667	9685	0	2255	14152	Phytochemical	0.61904764	1.1904762	0.04761905
14	C21 H25 O13 N1	500.13986	500.1407	0.15024588	500.13995	115310	94484	85120	102426	94804	92291	47147	87942	147284	123578	96057	60945	211154	48036	99122	74963	78337	190154	162065	190684	235035	194195	117648	96125	37916	31373	38737	42359	70756	71403	54275	72041	88310	56450	189929	73826	68399	68675	54809	116533	130188	85095	5083	0	0	314331	548035	0	52110	83559	101573	91246	80602	317	208690	117307	53779	67020	115122	59207	119825	151325	180957	129656	58762	120157	78560	46286	128741	59642	74573	58414	60321	77957	64681	51001	239	60045	70504	153326	56536	239591	35249	47872	131329	87519	53535	67400	69528	46848	31694	62278	102424	165816	170061	808	94403	129689	113491	83350	92394	108766	63902	91444	566850	72034	111556	0	31485	160933	Phytochemical	0.61904764	1.1904762	0.04761905
20	C25 H25 O10 N1	500.15512	500.15582	0.1262894	500.15518	31641	37605	35645	33248	32449	24209	5202	7623	25340	145467	77725	6118	48326	16631	9727	11708	6044	34524	39763	92736	94015	71223	16086	18590	9254	82526	4319	65404	6871	7482	7103	6573	17721	6394	183534	3533	11887	9160	8455	79118	51844	13152	655	0	0	57914	59974	0	8790	5788	28606	29578	23587	0	33169	28438	14119	12133	10126	11135	8062	44495	52675	23759	11327	27153	16523	6164	62798	106852	107921	8946	9533	3860	7507	9102	0	8723	21152	55074	13002	42878	9147	57467	34579	19220	21535	16734	14419	16138	25675	33357	20801	69562	86635	0	32533	35316	32910	27875	20008	14431	7847	18928	46210	9334	23194	0	10484	45368	Phytochemical	0.4	1.0	0.04
18	C25 H25 O10 N1	500.15512	500.15585	0.09669858	500.15518	46272	50451	31496	31178	29903	20672	11756	13698	29893	164089	92466	6592	45414	18455	18058	23122	8749	40107	35842	106792	105887	72347	15592	21236	13629	83937	7312	63006	10844	8427	12373	9164	16881	12769	194309	5661	19326	10213	11291	79053	71161	12392	813	0	0	63842	59860	0	5909	5462	39323	38661	24127	0	40510	29304	16742	15377	14388	9655	16284	60616	46929	35060	12315	34194	18137	13571	69304	113029	102004	7414	7951	9951	6341	0	0	8848	25190	52960	13301	40761	12151	55251	34849	20291	19958	19937	12959	17506	39316	35307	29552	63521	112787	0	37098	38772	26552	32565	30698	11542	6574	17448	39867	17457	21092	0	10822	42414	Phytochemical	0.4	1.0	0.04
26	C25 H25 O10 N1	500.15512	500.15585	0.103235915	500.15518	0	2748	3841	0	6191	3923	0	0	5722	25315	9374	0	5919	0	0	0	0	5474	9714	12589	15335	12035	0	0	0	6773	0	5528	0	0	0	0	2005	0	21230	0	0	0	0	8828	8929	0	0	0	0	8312	13382	0	0	0	4866	5148	3290	0	4676	0	0	0	0	0	0	5869	10711	4827	0	5795	0	0	5981	15928	17133	0	0	0	0	0	0	0	3351	5635	3556	4915	0	4823	0	0	0	0	0	2032	1921	3907	5876	11101	24424	0	4021	0	0	3595	0	0	0	0	0	0	5047	0	0	7535	Phytochemical	0.4	1.0	0.04
24	C25 H25 O10 N1	500.15512	500.15576	0.07133971	500.15515	11431	13689	7517	9301	10400	7376	0	2800	8225	46763	14656	2665	17035	3662	2006	4024	1553	8873	10729	21110	30223	26461	3251	4426	3233	18034	0	13593	2448	1601	1335	0	2601	0	47925	0	4462	1714	2130	18430	17023	2865	0	0	0	17635	25560	0	2745	2029	5832	8557	5997	0	10931	8425	4927	2549	2098	1938	2962	16068	16984	9140	3755	10408	6646	0	18089	24437	26597	2714	1125	0	0	972	0	2089	7363	14791	5255	15600	3613	13333	8644	4433	5269	4536	4433	4474	4123	7424	8674	22221	39684	0	10278	6614	9574	7140	7502	5052	978	3628	13276	3005	4810	0	2291	14304	Phytochemical	0.4	1.0	0.04
22	C25 H25 O10 N1	500.15512	500.1558	0.10022818	500.15518	22188	23699	20498	21709	19719	14764	3552	6051	20257	95640	51449	3536	21409	9266	6686	6005	4454	25582	23422	40070	58247	46165	8214	9343	7811	52254	4514	35033	6719	3050	4496	4315	10195	4529	91954	5329	7796	6314	4851	40773	32659	8794	0	0	0	43611	41283	0	3144	5777	16448	22728	17899	0	27724	18379	10051	6058	6201	5055	8116	37312	33118	23691	6759	20817	10731	4403	42963	58299	57902	3716	2436	1533	2834	3918	0	5169	15822	31540	7706	33380	5181	30027	23717	11535	13072	8665	10929	5033	13294	19865	12701	50509	72183	0	17221	22521	18433	17592	16118	6632	3669	10992	31553	7006	17748	0	6379	33312	Phytochemical	0.4	1.0	0.04
18	C22 H29 O12 N1	500.17624	500.17697	0.120789684	500.1763	246783	206221	215574	211078	196730	197580	112193	294337	209729	376701	173847	121281	360916	96563	231296	196676	109757	360367	338130	530563	442715	258586	217447	242296	172663	224085	92360	109354	252120	219792	211815	205173	205235	195877	403866	248078	215150	148905	102174	342233	187896	151691	9487	1072	763	736570	535594	619	192343	230984	221772	200206	168334	1278	369575	172821	108838	175276	225418	92188	210825	263379	266066	213313	103495	181427	149643	96412	224024	327114	229364	231444	191193	271608	130368	202697	725	166879	148463	163360	152701	424153	120567	175651	209162	157668	117299	107728	139687	73755	120916	201608	261547	157751	238697	1728	220640	259620	205274	110696	131934	209474	136028	247061	442011	157066	171806	977	115577	267306	Phytochemical	0.54545456	1.3181819	0.045454547
14	C22 H29 O12 N1	500.17624	500.17703	0.1269847	500.1763	214709	202732	197176	202074	144252	142017	128685	290930	184071	355414	206285	125599	253938	87194	229962	225628	171861	274246	269788	473748	493729	292093	235962	280203	172320	207529	105188	158229	252125	248903	187395	205400	229156	179889	468400	261008	197741	156817	123157	301094	216996	156714	7936	744	306	583735	554955	653	182779	248914	194340	197516	135940	722	289693	145780	90951	184060	321620	159627	322689	254677	211654	179716	92556	157856	130375	108048	252442	262392	211971	202999	182541	285343	154608	186843	0	168319	150750	215848	152273	339205	148886	164390	202002	150873	124573	116256	131535	116605	128830	182708	238141	184395	278860	2081	206705	268982	153839	112028	140078	243249	135725	323459	665960	170454	172900	385	116011	188988	Phytochemical	0.54545456	1.3181819	0.045454547
26	C22 H29 O12 N1	500.17624	500.17688	0.080665536	500.1763	11198	7618	9959	7655	3928	8575	1897	10300	10185	27571	6887	5652	14338	3470	0	0	0	16353	8976	29726	35619	7792	7603	7172	6152	7519	0	3574	7366	0	8499	5243	4674	5348	21031	0	6120	4668	2198	18974	11586	0	0	0	0	39744	44914	0	7177	9478	11797	9634	7890	0	0	0	4311	4480	4038	0	6545	13729	6927	0	3070	5003	3763	4796	10442	24872	18049	9042	6566	8907	6573	4062	0	4916	5609	0	4220	25280	4048	10389	7582	0	0	2469	2918	2225	4991	8823	6546	5248	15017	0	12424	13761	5902	2940	0	0	5952	7408	37550	4132	7624	0	3566	14799	Phytochemical	0.54545456	1.3181819	0.045454547
12	C22 H29 O12 N1	500.17624	500.17706	0.12253605	500.1763	107584	101252	103563	104507	66792	65709	89773	179746	96669	173199	119114	79582	116758	35193	102629	113381	97054	138119	138569	244131	230445	181581	129893	138042	75874	98986	67002	74573	145597	117113	112868	90328	123167	92556	270346	113558	103051	91426	85061	159629	175021	74340	3127	0	0	282047	320400	495	95510	136324	109213	100468	64253	0	140143	74860	52213	97641	150496	138131	119507	134206	117951	91765	47357	85397	69034	91361	147283	132231	136687	99073	107354	127436	80082	93742	0	96383	93307	92732	84520	159407	90067	89711	97308	66517	79620	45976	65029	93786	58381	104135	124421	107984	118794	849	100195	163346	90743	56731	78072	138094	81085	135882	426148	90085	86848	0	64389	117675	Phytochemical	0.54545456	1.3181819	0.045454547
24	C22 H29 O12 N1	500.17624	500.17694	0.114916205	500.1763	29284	35922	31998	43562	38488	34722	10154	41940	30496	79336	26410	25776	63448	12908	26416	34356	16846	75440	51398	101638	121747	28132	29360	42720	16030	52296	4930	11308	31454	25400	33018	22532	23076	28358	76468	31814	26326	14878	18286	51726	43327	16340	0	0	0	166696	174028	0	22760	34236	41988	42176	25792	0	39374	22078	16870	20834	26508	18497	29638	52440	31774	33532	12556	30680	21210	9540	40873	88275	55732	45778	27114	40518	22988	27766	0	24854	22888	20437	22258	96000	14674	35576	43352	17928	16586	13188	17332	8312	14346	27673	30150	18090	32466	0	47680	37840	31862	23460	19978	17286	16312	33810	115034	20910	30666	0	15998	52640	Phytochemical	0.54545456	1.3181819	0.045454547
22	C22 H29 O12 N1	500.17624	500.17697	0.10355586	500.1763	471528	443508	399590	357741	475368	417342	118917	259572	562995	1440273	711320	150087	661077	288438	259242	203376	125303	472992	479208	1210018	985280	556479	244644	245302	185705	1093238	67274	515817	246351	213669	181989	117126	233607	240953	1464006	233947	236196	170910	132360	707899	445863	192954	0	0	915	1064035	1014128	0	236691	216425	410457	402258	369627	7914	573490	411078	183045	196078	243005	54378	186440	493300	581016	436800	186015	426801	140730	105558	884574	1594173	1256414	266679	325308	213873	84630	107649	1866	193944	385563	262527	294810	578646	146214	422616	462930	272502	252648	155015	189732	163516	191705	103391	195663	439347	661202	0	395052	359553	490023	467394	437277	223107	148077	252963	685078	182721	483348	0	167899	774394	Phytochemical	0.54545456	1.3181819	0.045454547
12	C21 H29 O11 N3	500.1875	500.1884	0.22378209	500.1876	8534	16726	9972	12777	2617	6346	6397	7879	9491	12056	0	9661	8703	3163	14539	12264	4963	8708	11030	6372	5594	9918	15083	13898	12480	2040	7203	0	15175	6188	14942	12651	17496	11246	6788	6439	15198	13790	13553	0	0	6800	0	0	0	12407	6239	0	13271	11653	6685	9569	6854	0	11859	3386	3533	17513	10222	0	0	4815	11386	7265	4277	8687	8466	7495	0	4557	7163	12094	11778	15417	8252	5988	0	11971	10063	0	10464	6733	4899	5198	4963	2602	10103	5817	9055	13351	12340	17719	25212	6405	6849	0	13582	7154	3749	2847	926	17258	10714	7116	0	14651	1953	0	10319	9166	Peptide	0.52380955	1.3809524	0.14285715
8	C21 H29 O11 N3	500.1875	500.1884	0.14675649	500.18756	11075	7451	8278	10364	3411	5347	7335	10091	5555	5522	4353	7230	8624	0	9053	11340	6674	9075	7192	5927	5454	20676	11123	13145	5834	0	4265	3012	8323	7582	9924	9621	13651	7808	10490	9448	11651	8546	7771	5808	6094	5497	0	0	0	8283	5416	0	10043	9987	9487	11144	3998	0	7020	4206	4427	13516	10663	6290	9344	6346	8960	6421	3278	7627	5810	9457	0	0	0	8524	8228	6189	3925	8146	0	6688	8139	3364	4061	4124	5974	2720	2734	4213	8187	4389	6374	18842	0	15677	29307	4204	3209	0	9631	7410	2252	2412	2272	12157	6328	11864	0	11259	4352	0	6341	11530	Peptide	0.52380955	1.3809524	0.14285715
22	C26 H29 O9 N1	500.1915	500.19217	0.06459754	500.19153	29934	40787	21042	40122	35139	25394	10438	22288	37188	107295	76854	11234	35383	29933	13617	20690	11201	34992	35231	83203	91011	50832	21518	28139	16548	112708	7623	59263	15710	17896	12181	22002	31016	14096	119363	12456	26974	13429	12981	81330	55064	19317	0	0	0	58405	59565	0	14761	15578	32122	39083	26480	0	37825	31389	16668	19532	20193	12684	17183	54299	36037	32758	14985	36521	17764	12994	90615	128863	125252	17121	12049	11430	8494	14690	0	13595	21857	40611	18027	35645	19592	53674	33833	20133	23317	18421	18329	20010	25729	31793	34105	38681	66056	0	34548	30803	19369	25122	21874	16913	11271	23143	39668	21134	29271	0	13550	33081	Phytochemical	0.34615386	1.1153846	0.038461536
24	C26 H29 O9 N1	500.1915	500.19214	0.057293057	500.19153	14646	11665	14626	16431	15722	10754	1389	5686	13393	51436	35448	4516	16414	9932	5818	9083	3796	20410	14478	36456	39366	20636	8216	10313	6658	53573	2833	26988	4770	5995	5678	15292	6076	6670	53129	5815	11771	3754	5125	31452	30376	5756	0	0	0	23095	28269	0	3514	6020	16202	12850	10974	0	9860	9917	5779	10169	7062	4496	12494	21432	20316	12119	3633	17569	7890	5804	49517	60520	62760	7466	4064	3658	0	4774	0	4435	8594	13751	7860	16156	4905	23523	18985	4857	8016	6950	8682	7175	8975	9481	13893	19759	31038	0	12667	10308	11337	11026	12934	10179	2815	7517	16603	8290	10971	0	5488	18483	Phytochemical	0.34615386	1.1153846	0.038461536
12	C26 H29 O9 N1	500.1915	500.19232	0.10364177	500.19156	10507	7334	11032	9396	4992	5963	0	6137	5698	30804	21671	3486	0	4134	5625	9107	5147	8996	5897	38985	41696	18005	5727	5349	6406	28250	3704	15306	7179	3027	6234	3925	8453	3296	54325	4790	5756	3064	7244	35646	30962	3445	0	0	0	17893	12795	0	6515	5558	13648	6564	5586	0	5486	6730	3196	4762	0	0	0	14857	10873	6184	1846	8843	6398	8654	18284	58442	48416	3790	2743	3027	3950	4734	0	5445	8418	0	4669	10705	4295	14028	5244	6418	11610	3599	5080	14223	8512	6359	13069	10858	16890	0	12365	6997	5619	3951	5494	5065	4818	8494	0	3448	5819	0	7549	6030	Phytochemical	0.34615386	1.1153846	0.038461536
26	C26 H29 O9 N1	500.1915	500.1921	0.042517178	500.19153	4683	6240	2172	7545	4973	4994	0	0	4313	20172	9455	0	8827	4318	0	0	0	7340	8567	14663	17557	6090	0	0	0	15662	0	8782	0	0	2726	0	4388	0	19436	0	5350	0	0	15654	10302	0	0	0	0	12328	16633	0	2541	0	5765	4983	5049	0	5639	0	0	2862	0	0	0	9257	7694	5061	0	5812	5116	0	21678	27133	34494	0	0	0	0	0	0	0	3897	7677	2957	6436	0	6621	6170	0	5131	2838	2225	1963	6120	4644	5627	7210	13114	0	7572	6228	3085	4434	6456	0	0	0	7801	3597	0	0	0	9605	Phytochemical	0.34615386	1.1153846	0.038461536
10	C26 H29 O9 N1	500.1915	500.19235	0.1209065	500.19156	6408	7360	5730	7095	3615	3733	3167	3406	3118	29515	14046	2850	5718	2856	1911	3552	2051	4032	5740	25570	27379	10749	2424	5132	3286	19276	1623	12937	4453	2332	2297	3921	3731	2946	40150	3004	2785	2084	2950	17563	12308	2539	0	0	0	10637	9629	0	4449	4350	7393	7520	3837	0	4947	2387	1223	5331	0	2571	0	8769	4429	5851	1233	3103	2666	3636	19480	33790	27699	2414	2695	2230	2294	3326	0	1548	4281	7403	3236	4421	3193	9035	3293	2011	6532	1957	1428	4323	0	2376	3834	8682	14443	0	9707	6765	2019	3264	3716	3063	0	4654	0	3556	2745	0	2954	4509	Phytochemical	0.34615386	1.1153846	0.038461536
14	C26 H29 O9 N1	500.1915	500.19226	0.07441183	500.19156	21915	22055	21627	23300	10651	9680	8731	12021	12079	62719	30386	7799	12515	7715	9724	8959	9133	8693	14137	56585	47945	36442	10800	15769	11926	49768	7816	37903	9106	10010	8812	11630	13249	9354	68251	4384	9271	5614	9627	31520	33746	6402	0	0	0	19796	26149	0	13021	12001	18862	13064	5916	0	11997	8481	4881	17718	9417	9967	0	27892	13862	7660	5579	11941	7837	12030	30097	66054	58419	8698	10433	7687	7538	9146	0	7696	15828	0	12316	11459	7952	25360	8570	9119	22315	7067	7460	30208	16646	14669	26357	16038	30842	0	15531	18224	10686	6221	5461	9219	6548	12225	0	15546	7517	0	9096	11783	Phytochemical	0.34615386	1.1153846	0.038461536
0	C19 H33 O14 N1	500.1974	500.19836	0.42163613	500.1976	0	0	1942	0	2597	8910	0	2518	0	0	0	0	0	0	0	0	0	3907	0	0	0	0	0	3947	0	0	0	0	4956	0	2751	2834	3699	44451	891	0	4204	0	1244	0	0	0	0	0	0	0	0	0	2925	0	1921	0	2524	0	1056	442	0	2634	0	0	0	0	2612	0	0	4184	1751	1091	0	0	0	24344	27427	0	0	2767	0	1439	0	0	0	0	0	0	0	0	0	7588	3142	0	4062	2336	2694	0	0	0	0	0	0	450	0	0	0	0	0	1897	796	0	0	5146	Unclassified	0.7368421	1.7368422	0.05263158
26	C23 H33 O11 N1	500.21265	500.21335	0.06380938	500.21268	9142	8707	11021	9005	8235	8829	0	11191	8675	30590	5610	0	14899	3823	8024	7716	0	14927	9935	31133	23731	7489	6325	9764	0	11961	0	0	11496	7680	9848	6908	5815	9778	27070	9679	9769	5250	2653	13426	5309	0	0	0	0	15655	15280	0	9328	9149	9890	7916	6579	0	11561	7701	5290	8177	6064	0	7695	9030	9615	9282	0	8373	4011	4093	8365	30311	15671	11924	8744	13068	7407	5325	0	8047	7349	0	7294	7457	4503	6622	5951	0	3513	4083	3935	2897	8203	6746	7149	2692	6095	0	7610	9015	3283	4474	5005	5178	5319	9979	9944	6511	5517	0	4015	17649	Lipid	0.47826087	1.4347826	0.04347826
14	C23 H33 O11 N1	500.21265	500.21338	0.06532384	500.21268	133894	130748	124637	145112	79787	83226	102018	232714	108758	184484	117639	92456	139095	53144	161466	176283	131732	151674	160839	274947	232014	156784	174337	237750	154457	167849	86024	107591	198888	202083	142815	165180	162270	121047	212626	217867	144704	114343	95039	147908	107496	109573	2860	307	0	223075	184611	0	135787	194244	130148	125027	83063	644	158783	91126	65200	160281	215057	111756	211029	118872	110893	108164	62768	98200	75946	96484	177784	176303	126434	158498	139707	212532	133265	133168	0	118291	125605	79767	117777	119793	117584	97688	118019	96726	104612	77504	95961	89428	100601	133936	207889	76524	130150	1369	124745	186036	86019	76956	90017	189088	107759	259692	204862	119152	90871	0	110090	101530	Lipid	0.47826087	1.4347826	0.04347826
10	C23 H33 O11 N1	500.21265	500.21347	0.10023374	500.21268	25344	27424	25950	23143	12035	11718	17183	45712	15147	43012	14387	21096	23559	7143	27192	27534	21456	22185	23822	42731	41103	30966	26990	43107	22183	25929	18129	12236	32766	36838	29899	30628	35946	25903	46471	40072	32996	21389	24168	32890	24383	13870	0	0	0	44094	37079	0	29093	33863	30791	29482	13839	0	24690	13952	10845	29676	34832	21793	41469	20376	16405	18977	7265	16026	13236	23788	20727	28096	20856	25956	28470	36205	22304	29070	0	22893	23926	19015	21623	20369	23484	17413	18145	13616	19150	11738	13933	20487	21593	34254	42603	15040	22933	0	29913	36309	12976	12092	14398	33948	19919	43221	15333	28753	13694	0	21316	17961	Lipid	0.47826087	1.4347826	0.04347826
22	C23 H33 O11 N1	500.21265	500.21332	0.057375293	500.21268	99620	101022	99814	88375	82897	78620	41694	126488	96056	189620	58567	50757	118721	37462	96340	78601	38662	146465	124261	199509	186587	100339	93439	107051	103609	95404	28525	53469	104989	92367	103248	94119	86108	82797	198945	0	120092	77313	31752	122467	53810	58753	2420	0	0	190200	115808	0	102974	95375	97343	88911	59970	735	153386	77449	46181	0	86794	27566	92703	81937	120531	93175	39572	86671	58772	31238	76810	187974	90403	108413	82930	104481	47191	78422	0	0	72807	36749	70070	100038	53250	63617	94777	61973	57499	0	55348	27464	81550	94501	124440	53200	90200	0	83503	108138	69399	62730	60144	88820	0	113315	113345	80116	55844	0	51420	150835	Lipid	0.47826087	1.4347826	0.04347826
16	C23 H33 O11 N1	500.21265	500.21338	0.07439161	500.21268	255023	259270	254456	274770	173703	170992	166078	397893	229509	411518	199903	178795	292046	101907	331761	324144	188539	337975	357424	587853	497704	267981	341510	399975	283845	290469	155740	165866	367379	351574	331898	311824	315928	256303	441816	374335	296134	224643	143803	350631	184728	189109	6114	566	677	452499	280963	0	319871	381682	274251	263635	185095	1274	370457	185213	130611	280347	336525	155839	379414	219744	251556	218616	104579	202315	175718	147399	258929	375450	245863	346767	314623	416916	225281	310165	397	239938	218289	166870	211136	248118	218145	214704	203312	148591	173726	145218	169046	130665	208055	279947	461341	136097	262564	2882	268226	332799	172410	130241	165922	346335	191943	380514	250026	278878	194271	669	199540	245727	Lipid	0.47826087	1.4347826	0.04347826
20	C23 H33 O11 N1	500.21265	500.2133	0.041239627	500.21265	243769	224097	250742	211657	196622	203423	117852	336251	241029	469400	168799	132940	338519	109228	268837	213668	91980	375425	390492	506269	449562	249269	253202	290265	243105	217980	94893	137946	297114	252275	249466	228948	256168	212780	498286	266789	289635	167047	89390	329731	130647	159227	6770	837	455	448545	234783	0	239358	253377	240669	241940	180468	1168	392150	171139	107974	209784	274309	81040	247228	205905	290849	258749	97607	210778	165967	81867	178425	428823	196893	270703	260689	302224	136788	209619	482	215048	173400	115904	150842	207516	155481	190600	198249	150759	141371	113223	151345	69864	186281	252258	321032	129040	194300	2238	241918	268598	175252	113918	131119	256394	156914	283394	267958	209313	169044	799	136684	341759	Lipid	0.47826087	1.4347826	0.04347826
24	C23 H33 O11 N1	500.21265	500.21332	0.050404496	500.21268	23229	23877	29190	28581	25828	22410	6012	30642	26792	60769	19510	15949	50608	11953	26546	26038	10343	45549	45158	61463	57776	26643	25577	32816	22360	21672	8054	10273	29751	18865	22835	25140	28185	24808	65659	27423	27233	14933	9764	39371	20656	13419	0	0	0	60863	42643	0	24018	24799	27028	25220	13684	0	42031	22624	14773	22696	22181	7230	29587	26510	42211	25987	9322	30517	21514	9440	25216	58207	30810	32831	27795	33205	17559	18629	0	22462	20547	10955	21276	27501	15244	19760	24326	17994	16603	11996	15576	7930	13028	21319	37733	14809	23515	0	27253	32042	18033	13557	14747	18485	16016	28683	34926	18548	17495	0	14334	49069	Lipid	0.47826087	1.4347826	0.04347826
10	C27 H33 O8 N1	500.2279	500.2287	0.06764571	500.22794	3427	6052	4195	4512	2782	1838	1723	3940	1429	13935	10128	3033	995	0	2615	6087	3078	2309	3325	18758	15893	7978	2340	5305	2976	19112	1994	9396	4265	3355	1857	6190	5671	3787	14661	3030	4428	1702	3453	10609	6193	1682	0	0	0	4867	7757	0	4137	3786	4493	5467	2017	0	1589	1797	1009	6444	0	0	0	5582	1555	2400	0	1817	0	4780	10565	22227	23183	3370	2695	2826	2627	2908	0	2896	4520	0	2220	1402	0	6643	1918	1264	4024	1308	2478	6961	5567	0	12467	6000	9125	0	5869	4837	2391	728	1545	4902	2690	3471	0	2850	1218	0	2183	2831	Phytochemical	0.2962963	1.2222222	0.037037037
24	C27 H33 O8 N1	500.2279	500.22852	0.055761598	500.22794	33942	26910	34352	29268	28478	18516	8978	21740	28244	64322	54761	11587	35288	19541	17256	33075	13769	29624	35603	69078	74228	40030	20446	35517	20451	118481	8588	59929	26231	17020	19384	20030	20682	23046	75159	23680	28771	11809	16993	60059	49884	18940	0	0	0	40068	38277	0	24371	20797	33083	27274	24834	0	24359	24596	15035	23964	20367	12784	32358	47259	23787	22935	10501	34086	26210	15449	92063	125224	127228	23123	18690	13038	12516	16005	0	13567	27014	27567	19685	19128	14191	42646	29235	13916	31334	17482	22707	23656	28575	28931	49780	33765	39159	0	33928	32464	18057	18854	28035	23474	11946	34858	24842	27717	22579	0	18777	24290	Phytochemical	0.2962963	1.2222222	0.037037037
12	C27 H33 O8 N1	500.2279	500.22873	0.15426505	500.22797	8155	5545	4000	3894	1725	3061	0	6169	2987	22272	14534	2945	1947	2266	3802	4655	4178	1832	5274	21756	32966	9727	4239	3968	6806	21493	3710	0	5845	5575	5712	4483	8038	2961	30469	3425	6390	3475	7642	20075	11775	4024	0	655	275	7555	9346	0	3168	4899	8068	4692	2351	0	2862	0	1424	6502	0	0	0	8725	2200	2530	1626	4289	3865	4372	0	35058	32924	4360	4375	2795	3566	3881	0	4039	3846	0	4239	1848	2235	8247	1648	2161	5044	2639	1509	11113	9777	4100	11093	6157	14524	0	6943	4675	2126	1726	1783	8603	2577	4813	0	5768	2530	0	4779	1648	Phytochemical	0.2962963	1.2222222	0.037037037
18	C27 H33 O8 N1	500.2279	500.22858	0.01563527	500.2279	30131	26050	30827	33026	20353	16158	18766	35023	19284	52307	49496	17107	19424	15150	20131	41007	33045	18615	28985	84971	68072	36307	23806	42725	29182	75765	21866	45927	27094	23606	24154	35789	37275	35010	63196	28748	27649	21132	29396	57843	61222	19037	330	0	0	29833	24193	0	25540	27017	36288	37647	18045	0	24694	13057	13740	39049	17784	20759	36070	41700	18311	14384	13982	21277	19390	33279	77923	99948	115300	22641	20228	24698	28886	28124	0	19333	25676	31882	25030	22367	20176	40788	16947	13725	32380	23938	18152	53872	38121	35310	57821	32180	41555	0	33908	37719	15554	13635	12850	27667	15893	28283	17883	28836	12722	0	32169	20076	Phytochemical	0.2962963	1.2222222	0.037037037
8	C27 H33 O8 N1	500.2279	500.22888	0.17545457	500.22797	3318	3457	3168	2353	1316	0	1319	2188	922	7073	6924	791	910	0	2030	1838	863	909	1595	10744	9173	2830	787	4741	2881	6968	1164	0	2506	1595	1470	0	2866	1496	8707	1096	2098	1038	1370	4417	3622	1768	0	0	0	2888	3091	0	2264	3881	2362	1893	960	0	1229	0	932	0	4753	0	0	4756	0	1257	0	0	0	1168	3959	8192	7802	1767	2232	2083	2262	1048	0	1808	3086	0	1176	0	680	5237	0	0	2683	1606	776	5138	0	0	5372	5597	4683	0	1661	1432	0	0	0	2394	868	0	45690	2986	0	0	1158	0	Phytochemical	0.2962963	1.2222222	0.037037037
14	C27 H33 O8 N1	500.2279	500.22864	0.06530353	500.22794	12455	10145	8455	8200	3762	6971	7056	10074	5375	21289	20877	5169	6924	3862	6515	15463	7957	2393	7264	36090	38051	14714	6431	6970	7442	33592	8307	22799	6195	9197	7637	0	5624	3857	24306	11594	6236	5021	9965	15799	14203	7092	0	0	0	11583	9317	0	6152	8274	7630	10834	4510	0	4710	3430	3415	7870	0	7039	0	9671	3319	2499	2201	2623	6402	13067	24021	41123	31949	6209	3621	5619	5452	7593	0	2644	5960	0	7980	4726	3777	14530	4555	0	12342	5499	5605	19236	13452	8560	19025	7643	17717	0	13200	6959	4407	1887	2415	6513	5182	11425	0	9986	4656	0	8105	2058	Phytochemical	0.2962963	1.2222222	0.037037037
16	C27 H33 O8 N1	500.2279	500.2286	0.005500016	500.2279	24051	16757	14382	22728	7079	6612	10850	15288	10584	33760	23554	8331	6156	7592	7751	25420	15742	9893	16218	53356	45980	22856	7982	23385	15810	46779	11360	27816	13167	13837	13691	13371	15952	15771	32803	13819	11023	12963	22827	34667	36050	8556	0	0	0	11434	16700	0	16654	13977	23570	23177	8614	0	5487	6173	5265	14119	7268	11741	24741	17136	10376	5944	4424	7653	6621	19804	32866	62474	55176	10603	10455	10658	17147	14246	0	9111	22927	17381	9815	8299	14558	17126	8649	6443	21146	8804	8498	33703	19944	14139	37356	18038	28040	0	14946	22120	5514	8447	8156	15466	10825	20267	13072	19586	6840	0	17136	7746	Phytochemical	0.2962963	1.2222222	0.037037037
26	C27 H33 O8 N1	500.2279	500.22852	0.06486021	500.22794	8902	7641	10413	8075	6773	7632	1959	9661	8223	19694	18429	4260	10822	6567	0	6453	0	9954	9762	19524	30394	11120	5100	5505	0	49592	0	16211	8941	0	10525	4829	8552	8177	22369	6370	12507	4314	5135	16281	19668	0	0	0	0	10662	12795	0	9739	0	14386	13157	7631	0	8509	7226	4489	7829	4815	4515	9405	14107	7654	7457	3490	10639	7180	3893	51156	45193	51696	7330	5980	0	6834	4730	0	3501	6547	6716	5383	7260	4834	14468	12348	0	8007	6658	5233	10244	4895	9122	14222	9998	12839	0	8486	13896	6816	8491	9673	7570	3952	10504	6274	7146	5858	0	4302	11388	Phytochemical	0.2962963	1.2222222	0.037037037
2	C21 H33 O9 N5	500.2351	500.23615	0.09480399	500.23514	2200	2032	1629	1620	1032	0	1490	1823	801	305	0	1130	1462	1329	1244	0	1807	1925	1206	0	314	1347	1288	2445	807	0	0	2258	1087	0	1845	2593	2673	1553	812	1961	2380	1235	1822	0	0	0	0	0	0	384	0	0	2290	1416	1870	1111	846	0	1148	630	318	3098	0	260	902	0	1072	838	0	2018	1242	1920	0	0	0	2593	2867	1664	0	1874	0	1481	1776	27021	953	0	0	0	870	399	1769	972	762	3440	16422	4929	3953	2295	0	0	1871	0	560	875	507	2207	1273	374	0	2262	703	0	1029	2150	Peptide	0.42857143	1.5714285	0.23809524
24	C24 H37 O10 N1	500.24902	500.24963	-0.024689615	500.24902	41204	31082	40833	44619	34997	38560	15688	48690	38990	88532	21648	16195	72693	21597	44163	35221	12308	76615	74202	81625	67790	47436	41689	53700	41226	20169	9598	21116	54026	37550	44938	51187	45129	37136	107529	43542	73806	33636	10482	49863	13327	17639	0	0	0	51408	16634	0	42153	40579	42699	32168	33343	0	69347	33602	16346	44802	42392	9310	42112	28357	65642	50074	13977	45028	26348	12149	24475	74481	34179	0	41587	47934	17782	34944	0	32739	29172	11026	29738	25681	24253	22158	35168	28570	28249	13398	25088	13159	47744	51654	60298	25399	41457	0	41964	41094	18454	24771	24826	38769	20699	41568	23625	39859	22698	0	22824	78319	Lipid	0.41666666	1.5416666	0.041666668
12	C24 H37 O10 N1	500.24902	500.24988	0.18279056	500.2491	9137	7807	9871	8827	6697	6927	13135	20538	3276	10346	5465	11989	5574	3113	17812	18030	16642	8018	10167	14986	14682	6114	13806	15768	18383	6886	8326	0	19196	14202	12994	8879	15584	11182	9988	19463	12372	9041	13893	6829	3806	6243	0	0	0	10822	10873	0	11492	18104	8725	6354	7054	0	9847	6203	5267	12775	9117	0	0	5054	5276	9003	3971	7560	7517	14176	0	6172	3976	11196	13989	18130	9933	13714	0	13597	11365	0	10204	7040	10420	6863	5279	6254	12484	4232	6670	15107	15878	19959	23166	5587	3703	0	9445	9255	5219	5036	5517	15598	9956	13308	0	9073	6530	0	9487	8617	Lipid	0.41666666	1.5416666	0.041666668
14	C24 H37 O10 N1	500.24902	500.2498	0.04415884	500.24905	26649	25251	27144	26196	12375	11139	29887	55030	16645	14968	11474	29375	23583	9615	36692	46528	41999	22641	26006	35412	38534	24341	40128	56999	40812	22323	27887	12608	48415	50172	31804	41404	35753	31188	28312	49176	29787	27113	29780	21484	10173	27338	0	0	0	30993	26535	0	39323	47063	26487	23932	16638	0	29591	18638	15340	35485	40111	24213	54376	15076	17686	18448	13835	17861	16066	26231	19191	21525	14009	27292	28656	50303	38138	33470	0	33614	33570	16804	27745	21407	26077	12610	22454	22835	29111	10531	19444	30418	27194	28618	58402	9687	26497	0	25146	42815	12668	18310	25324	50398	23688	49792	16442	29845	22997	0	25888	11351	Lipid	0.41666666	1.5416666	0.041666668
26	C24 H37 O10 N1	500.24902	500.24957	-0.010133228	500.24902	5408	6029	6613	8858	6490	6307	2290	7534	9055	19001	3125	0	14002	3377	0	0	0	10155	17198	21810	14044	7654	0	7395	6876	5602	2732	3531	6476	0	5551	5647	7542	7227	22395	9665	13240	5151	0	8189	3846	0	0	0	0	6112	0	0	8314	6909	7367	8102	5459	0	15312	0	0	5979	5505	0	5515	6669	12812	6994	0	8402	4314	2223	6047	19744	10828	7584	9824	9714	0	5036	0	5030	5306	0	9036	2772	5353	5383	0	0	5187	4559	3413	2258	6440	9400	12467	2362	0	0	9514	6154	4123	3913	6384	0	3550	9639	0	5582	0	0	4397	13178	Lipid	0.41666666	1.5416666	0.041666668
20	C24 H37 O10 N1	500.24902	500.24966	0.020787923	500.24902	218096	196947	202459	196333	150998	157967	127065	303183	196488	320893	115692	129068	247370	93273	273769	195529	96202	263316	318333	363857	276793	199712	231098	280037	243355	145425	98197	122190	292965	256362	238254	221677	276754	217590	355290	256366	307106	174901	86055	222710	67427	147997	5053	0	0	226041	93542	0	231239	227972	211090	202694	147178	827	333836	166399	109056	207329	259424	64449	245373	135446	227879	204734	90590	174665	158436	80692	109722	270430	124843	254942	244155	287159	119121	216300	0	193929	168898	84929	146515	91843	169806	136160	164776	133449	152628	106688	154754	84958	223195	269042	343449	84116	159770	1405	199765	238510	116078	109894	134355	268025	150385	272090	135122	214117	130112	0	139946	255747	Lipid	0.41666666	1.5416666	0.041666668
18	C24 H37 O10 N1	500.24902	500.2497	0.015311142	500.24902	142048	139493	153891	144072	94097	99802	102881	249761	119687	153933	95527	99265	168920	59170	186067	202410	108891	166952	208730	249092	188770	128771	185259	220568	168512	126836	89224	92162	238911	181014	174510	195868	187636	174486	169966	198770	200946	131553	93889	139953	65350	116613	2867	430	0	165320	88788	0	189898	180837	149990	143901	95997	614	221954	116928	78688	172435	164399	69632	201004	96785	142044	133665	70907	132330	117251	98567	98662	162093	108824	171792	151697	215558	129435	175217	0	141879	138089	68373	133027	90594	137276	90320	131642	107105	132045	81128	110620	85483	154925	180215	257710	69115	116554	1134	157784	177905	94806	81984	114679	207448	123482	216092	80300	152984	91699	335	114469	135460	Lipid	0.41666666	1.5416666	0.041666668
20	C28 H37 O7 N1	500.26428	500.26492	0.005526617	500.26428	80706	77509	69922	75444	77386	34269	64309	68331	65552	46849	70853	59361	61896	42242	55689	118018	123307	51907	76083	81647	76049	20798	50335	87495	56641	160044	65636	73661	66631	64790	56494	74962	93728	54407	61409	65709	86182	53488	120952	55143	85734	48260	906	1618	1404	49659	60610	0	64291	59880	56978	71314	64083	970	77221	67929	49857	79368	43924	74205	86007	27807	51597	64093	40559	53870	42216	126209	100824	141220	172770	47497	54289	68787	111407	75054	594	47481	112586	46953	69890	37839	59933	48793	106669	53361	103719	35734	47383	135344	79397	81344	107587	42044	38346	1432	77456	81131	56639	97513	90372	102194	57116	83425	28257	76611	84248	0	77250	54592	Lipid	0.25	1.3214285	0.035714287
26	C28 H37 O7 N1	500.26428	500.26495	0.021474525	500.26428	16850	20765	18131	16966	22019	10836	5527	13228	15682	26597	34616	7262	18385	8480	14621	13425	8694	9523	23954	43318	38941	17263	8840	27605	14094	97575	3889	33825	14519	22181	17251	15816	19476	18878	31586	19824	23101	12797	16466	31900	34022	10368	0	0	0	21456	13742	0	14228	11542	18723	17122	13162	0	20232	19282	9564	18417	18071	10144	19061	21236	13333	12634	8942	17167	16418	19414	76401	61014	75812	19097	13537	14392	11139	16118	0	12606	16835	12473	11041	10057	15657	25342	22200	10861	21712	11318	15130	18195	22976	19709	31008	15673	15871	0	19886	23086	9593	25208	26031	18373	7739	22250	6826	15140	15908	0	10828	13424	Lipid	0.25	1.3214285	0.035714287
18	C28 H37 O7 N1	500.26428	500.26498	0.026098728	500.26428	7538	12620	8211	11134	4861	2690	7767	5909	3270	12297	9895	3892	1442	3349	4340	18614	15455	4585	5946	14560	17448	9249	6331	10340	4564	26414	6868	13822	8917	7590	6267	8493	10407	10086	9596	11342	8808	6715	15744	13435	15688	4044	0	0	0	5544	5749	0	10895	5860	6761	6399	5208	0	3299	2241	4073	10356	4481	6641	8954	4307	2233	2402	2110	1793	5328	22266	16879	17571	24975	9432	6082	7742	15056	8544	0	5915	7871	8196	4468	5049	5423	9362	2264	1402	6639	5103	3631	21432	11215	12444	10325	5991	6666	0	6242	10446	4601	1743	1645	9276	5511	11244	4237	8733	1744	0	6839	2296	Lipid	0.25	1.3214285	0.035714287
24	C28 H37 O7 N1	500.26428	500.2649	0.008058941	500.26428	43835	39763	38562	45965	39186	24989	20273	37585	31189	55346	59129	23077	38532	22682	30332	51945	38187	36139	53284	80388	77455	37462	30262	45137	31008	157869	19226	65958	36594	36045	34160	42331	49235	39340	53724	38796	55752	26162	37816	61972	66105	26874	0	0	0	45725	39420	0	42939	36963	41073	38070	31773	0	36823	25950	21957	49338	30462	27167	45115	40951	31446	30665	15694	37649	31347	43247	126547	134097	138697	35618	34760	29375	26441	32316	0	25598	40990	28824	29821	25976	30762	51405	37224	16797	43988	30463	29647	56629	47497	50608	68276	35674	44183	0	37321	44433	23179	27508	32697	51041	21974	47449	27451	40711	29464	0	33543	26480	Lipid	0.25	1.3214285	0.035714287
16	C21 H41 O12 N1	500.27014	500.27087	0.3165487	500.27032	3328	0	3426	6956	0	0	5686	5102	6618	0	1232	3480	0	1550	2966	4286	7806	0	0	0	0	0	0	0	2808	0	2830	7850	0	4084	0	0	4948	0	0	3494	3970	4264	5316	0	3982	2612	3181	3448	2723	0	0	3329	4314	2058	0	0	0	2546	0	0	3406	6798	1512	4218	0	0	0	0	0	3424	0	8646	0	0	3072	0	0	2986	0	3850	3060	0	0	8312	4270	0	0	0	4498	4524	7586	0	0	0	21284	8686	0	0	0	3041	0	0	1470	7270	6556	4548	3828	0	4550	0	0	3238	4674	0	Lipid	0.5714286	1.9523809	0.04761905
8	C21 H41 O12 N1	500.27014	500.27124	0.19212183	500.27023	8617	5954	6121	6075	5159	3681	0	0	848	0	7307	0	1601	4414	0	0	0	0	0	0	0	0	0	0	0	0	0	69392	0	0	0	0	0	0	0	0	0	0	0	0	0	2938	0	0	0	0	0	0	0	0	3963	7623	2877	0	5298	506	5469	0	0	0	0	0	0	5023	8601	5371	5284	0	0	0	0	0	0	0	0	0	0	0	0	315506	0	0	0	0	9297	3828	0	0	0	0	651478	241179	0	39113	4211	0	6491	6219	908	0	0	0	0	0	0	0	5119	0	0	0	Lipid	0.5714286	1.9523809	0.04761905
12	C22 H37 O8 N5	500.27148	500.27185	-0.00507596	500.27148	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8591	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35774	0	0	0	0	0	0	0	0	0	0	45901	17802	0	3202	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.6818181	0.22727273
4	C22 H37 O8 N5	500.27148	500.27246	0.25620025	500.2716	1387	1932	1266	754	0	5876	0	0	0	0	0	0	342	0	0	0	0	0	0	0	0	0	0	0	216	0	0	13173	0	0	0	0	481	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1259	897	0	0	0	0	0	0	0	0	0	0	0	0	0	0	210	0	0	0	0	0	466	433	0	0	0	0	0	133680	0	0	0	0	0	0	0	0	0	562	120003	35000	0	6903	0	0	1091	990	0	285	364	0	0	0	0	0	0	0	0	250	Peptide	0.36363637	1.6818181	0.22727273
6	C22 H37 O8 N5	500.27148	500.27234	0.2585034	500.2716	5955	6890	6970	8836	653	6021	0	0	0	0	7146	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	62323	0	0	0	0	0	0	0	0	0	0	0	0	0	474	0	0	0	0	0	0	0	0	5079	5284	459	0	0	0	0	0	0	0	0	0	0	0	404	669	0	0	0	0	0	0	0	0	0	0	0	0	0	368307	0	0	0	0	490	0	794	0	0	1127	617695	237873	0	35994	4098	0	6649	6214	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.6818181	0.22727273
10	C22 H37 O8 N5	500.27148	500.2722	0.27230352	500.27164	2362	0	0	0	0	0	0	0	0	0	1799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12629	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1042	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	718	0	102561	0	0	0	0	0	0	0	0	0	0	249134	66103	0	10078	1683	0	1150	1021	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.6818181	0.22727273
22	C25 H41 O9 N1	500.2854	500.286	-0.03280724	500.2854	57467	51633	50103	59130	43248	45167	69172	79899	55212	57940	23984	30417	59832	34752	61047	56839	24838	79615	98433	62349	58558	43701	57006	64993	64754	25547	52986	31822	85376	67191	64753	73906	87863	63230	64633	72350	94561	52344	23899	38558	8251	40491	0	0	0	36506	12515	0	62352	57434	58686	48935	51600	0	101733	47592	26857	65151	54081	16426	69144	23170	69397	56184	26732	64681	50955	25337	15095	39443	18307	60528	51212	76589	30890	52788	0	48132	46017	21795	42501	22445	82073	43886	48344	43716	44089	30027	53611	27178	74495	90070	89791	18392	33202	0	54854	61172	31571	38717	41225	87844	39475	66637	29294	48291	47931	0	38892	89094	Lipid	0.36	1.64	0.04
20	C25 H41 O9 N1	500.2854	500.28604	-0.033104036	500.2854	34808	27926	34366	36412	27866	24701	47427	50385	29708	27181	15573	26063	36101	21754	45397	46603	24750	43794	59603	32269	21486	18312	35033	47363	40489	19554	33587	22505	54989	43776	42113	45336	61767	34672	15036	52397	54934	32116	25791	19123	7797	24948	984	0	0	18227	15755	0	45302	35506	31928	43053	25361	0	46380	36404	23962	43562	32979	13603	43975	13442	32905	34398	25786	34735	28844	29308	9726	21672	9778	38009	37429	53869	31415	38745	0	30942	33228	19448	23388	10437	66068	29832	32201	29834	34786	19138	29860	20640	33213	40846	51188	7066	14775	0	39691	36024	21279	24176	35479	58390	31791	44501	15966	33885	29688	0	36719	37080	Lipid	0.36	1.64	0.04
18	C25 H41 O9 N1	500.2854	500.2861	0.048750896	500.28543	10469	14481	7766	9288	7722	9331	19163	22058	7144	2444	3831	12656	13117	5316	15553	23567	15797	10946	17706	9763	8891	8013	13518	19704	14862	9006	13234	9233	23573	18159	15626	24384	20067	13801	5366	21449	16135	14539	19592	3831	3027	11867	371	0	0	8538	4945	0	19151	20538	13240	9859	9419	0	16386	11255	8967	16125	9519	8097	21915	3739	7942	7523	7619	7513	12385	20517	3447	4337	0	12310	12205	25330	22128	20767	0	11819	16476	4124	11483	6305	19583	8930	18862	12220	19675	7719	8634	13068	14836	9925	28389	3930	6328	0	15690	14287	6312	8547	21292	30602	10169	24580	5113	15040	12289	0	17073	8719	Lipid	0.36	1.64	0.04
22	C29 H41 O6 N1	500.30066	500.3013	0.044278126	500.3007	7688	7134	5226	6055	3435	2612	7573	4572	1924	4493	9114	4930	0	0	5848	15033	18750	0	6977	6277	5182	5490	5470	7517	5686	16623	7744	9139	7341	8986	6167	10648	8061	7416	1956	10348	9332	5577	15679	5200	7227	6173	0	0	0	3272	3461	0	4439	10327	4992	6152	5235	0	3472	1341	3228	4725	3601	7379	6991	2163	0	1760	3267	2462	3556	22173	13881	11434	14019	5198	6152	5914	8322	7662	0	5400	9680	7130	3898	2507	2851	3660	5161	3119	9966	6591	4665	11075	7117	7515	8141	3066	2496	0	4237	2966	3107	3495	5456	11743	6447	7520	1995	6829	5861	0	5528	2176	Lipid	0.20689656	1.4137931	0.03448276
10	C29 H41 O6 N1	500.30066	500.30133	0.06727711	500.3007	4734	3604	6290	4980	0	0	3062	16305	0	0	1903	8678	0	0	5191	14617	3089	0	0	2468	1693	0	5221	12841	4335	0	5816	3155	16504	15698	12604	17143	12134	17814	0	22175	12702	5601	1397	1585	0	1616	0	0	0	0	0	0	13512	16485	5853	3891	745	0	0	0	0	7559	0	0	10687	0	0	0	0	0	1705	7883	0	0	0	19486	18647	25889	13903	16335	0	7506	1631	0	1897	0	0	1819	0	0	1138	2319	2015	3719	0	0	4487	0	2294	0	3446	3876	0	0	0	12539	6982	0	0	5879	0	0	1781	0	Lipid	0.20689656	1.4137931	0.03448276
14	C22 H45 O11 N1	500.30655	500.30725	0.15546654	500.3066	0	0	0	2140	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9251	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13509	5582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4858	87881	0	0	0	0	0	Lipid	0.5	2.0454545	0.045454547
8	C23 H41 O7 N5	500.30786	500.30862	0.23906212	500.30798	1598	1942	1276	1487	0	4760	0	0	0	0	0	0	1269	0	0	0	0	1425	0	0	0	0	0	0	0	0	0	27613	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2013	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	247351	0	0	0	0	0	0	0	0	0	0	226936	61945	0	10567	0	0	1891	923	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.7826087	0.2173913
12	C23 H41 O7 N5	500.30786	500.3082	-0.040927764	500.30786	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14343	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61559	0	0	0	0	0	0	0	0	0	0	69122	23023	0	4567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.7826087	0.2173913
6	C23 H41 O7 N5	500.30786	500.3084	0.30507886	500.308	1464	1067	808	660	0	4642	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14698	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1255	1025	0	0	0	0	799	0	0	0	0	0	0	0	0	0	849	0	0	0	0	0	0	0	0	0	0	0	0	145310	0	0	0	0	0	0	0	0	0	0	101842	31206	0	5769	0	0	1073	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.7826087	0.2173913
10	C23 H41 O7 N5	500.30786	500.30853	0.27069286	500.308	4216	2469	2154	3162	0	3642	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40965	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1897	1403	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	210806	0	0	0	0	0	0	0	0	0	0	371542	73001	0	16790	0	0	1804	1772	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.7826087	0.2173913
22	C26 H45 O8 N1	500.3218	500.32254	0.07790546	500.32184	2342	2913	1339	2737	0	2130	26780	2911	0	0	0	1162	0	0	1806	3526	2246	2720	3202	0	0	0	1626	1380	2205	2846	14792	1699	2507	1212	2517	0	4482	3234	0	3068	3967	1800	2866	0	0	1651	0	0	0	0	0	0	2612	2819	0	1725	0	0	5334	1997	0	4336	0	1193	3866	0	2177	1840	3273	1815	2818	1933	0	0	0	3891	3190	4576	3743	3704	0	1405	2487	0	1294	0	20794	11676	2117	1974	0	0	1360	0	4447	4715	2729	0	0	0	2476	2073	2578	0	1617	2992	1774	2905	0	2867	2663	0	2813	2549	Lipid	0.30769232	1.7307693	0.038461536
24	C26 H45 O8 N1	500.3218	500.3224	0.015230633	500.3218	5706	5704	4590	5749	8069	4357	74204	8126	3571	1574	2390	3726	5788	9453	4852	5366	3632	5561	13969	3368	0	1322	4232	2964	5983	2298	47888	6627	10319	6252	5170	8071	13947	5424	3366	8364	10000	3810	5340	0	0	6226	0	0	0	0	0	0	7203	3634	4635	4398	4938	0	7712	3373	2438	7948	3837	2241	8509	1121	7396	3438	5415	13182	10881	3815	0	0	2621	6493	6863	6645	3008	6346	0	3330	3774	1961	1995	3418	32516	15435	3490	4312	6164	2663	6664	3798	10060	8162	6674	0	1324	0	10312	9274	2477	3985	4218	7055	2583	6063	5853	5811	2762	0	2266	6104	Lipid	0.30769232	1.7307693	0.038461536
18	C25 H45 O7 N3	500.33304	500.3337	0.5851683	500.3333	0	0	0	0	0	0	0	0	0	0	0	0	0	3992	1341	0	0	0	0	0	0	0	0	0	3871	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	63523	7868	0	0	0	0	0	6234	4303	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3475	0	Lipid	0.28	1.8	0.12
20	C25 H45 O7 N3	500.33304	500.3339	0.21620178	500.33313	0	0	0	0	0	0	0	4326	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2423	0	0	0	0	2377	3038	2205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3092	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6963	1576	3275	1954	1975	0	0	24947	1819	0	0	0	0	0	0	0	0	1778	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2867	0	Lipid	0.28	1.8	0.12
22	C23 H49 O10 N1	500.34293	500.3436	-0.08514484	500.3429	1617	0	0	0	0	1499	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1603	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2422	0	0	0	0	0	0	0	0	0	0	13680	22539	39111	1534	0	2741	0	0	0	0	0	0	0	0	0	4244	0	1581	0	0	0	2908	0	0	0	0	6436	3625	0	0	0	0	0	0	0	0	0	0	0	0	11500	0	0	0	0	0	Lipid	0.4347826	2.1304348	0.04347826
12	C24 H45 O6 N5	500.34427	500.34476	0.2909454	500.34442	0	0	0	0	0	1397	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18171	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	80189	0	0	0	0	0	0	0	0	0	0	49839	23387	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.875	0.20833333
26	C27 H49 O7 N1	500.3582	500.35806	0.06811585	500.35822	0	0	0	0	0	0	87460	0	0	0	0	0	0	5073	0	0	0	0	0	0	0	0	0	0	0	0	63958	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5181	0	2165	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6890	3662	0	0	0	0	0	0	2770	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25925925	1.8148148	0.037037037
20	C23 H16 O13	501.06638	501.06714	0.19343877	501.06647	10004	13435	8788	10562	31341	12101	2638	0	35866	11047	4898	1419	52762	11352	2540	2202	0	33808	21970	6836	10766	23052	6424	0	2122	0	2202	0	0	0	0	0	3041	0	16149	0	4148	4150	1778	5290	6508	6150	1101	0	0	8130	15639	1365	0	1317	10120	11639	16033	0	31417	23084	8901	0	1555	2009	1760	3641	61576	30552	10855	31224	9739	1243	2730	2155	3531	0	0	0	0	0	0	1194	13116	16883	11021	13477	0	0	43523	12075	10380	6008	9579	1676	0	1956	4732	35656	26554	0	9274	11166	25944	38570	45068	2800	2611	1651	10485	0	27959	0	1583	55561	Phytochemical	0.5652174	0.6956522	0.0
26	C23 H16 O13	501.06638	501.0671	0.1989632	501.06647	7906	7346	7640	7773	21010	7728	2354	0	23353	7441	2468	0	46891	9901	0	0	0	34971	24087	0	0	12502	7891	0	0	0	0	0	0	0	0	0	1600	0	9034	0	2226	3947	0	0	3461	0	0	0	0	0	6026	0	0	0	8259	7912	13238	0	28746	21785	4700	0	0	0	0	2745	40799	19916	4178	24723	3954	0	0	0	2941	0	0	0	0	0	0	0	8956	6160	11784	5095	0	0	29727	9687	8652	5708	5211	0	0	1327	0	17023	16529	0	8438	9080	13217	25619	21668	0	0	0	0	2265	14815	0	0	37933	Phytochemical	0.5652174	0.6956522	0.0
16	C23 H16 O13	501.06638	501.0673	0.28591877	501.0665	5748	3062	3883	5956	21432	6831	0	0	25349	7233	5792	1603	31964	4774	0	0	0	16954	14591	2756	11672	14999	4793	0	0	0	0	0	0	0	0	0	0	0	14328	0	0	1395	0	4812	5013	3676	354	0	0	8673	18747	0	0	0	7367	5184	8479	0	16555	20379	5648	0	0	1915	0	4691	41616	18301	6696	29804	3725	0	2311	0	2800	0	0	0	0	0	0	0	6636	13171	6191	14192	0	0	26271	10281	4749	4542	4583	0	0	1915	0	33008	15786	0	8560	2996	16683	28036	24140	0	0	0	11690	0	22633	0	0	30823	Phytochemical	0.5652174	0.6956522	0.0
22	C23 H16 O13	501.06638	501.06717	0.22361404	501.06647	8141	12745	7247	9911	26098	11317	1443	0	28608	9134	2310	2405	46006	9062	5356	0	1499	32801	25364	9364	7113	19475	5348	2336	2170	0	2017	0	0	0	1270	0	1981	0	10810	0	2678	3302	0	3911	3075	2569	0	0	372	6325	14467	0	0	0	10996	8284	14162	0	23511	22109	9606	0	2459	1978	3188	3292	53917	28160	5717	26249	7489	1410	3176	0	0	0	0	0	0	0	380	1962	12243	14187	9478	7445	0	2126	29313	18800	12369	7488	7257	2394	0	0	1850	28346	26339	0	10390	8749	21732	36177	27531	3599	2850	1390	8610	1627	20689	0	2627	47496	Phytochemical	0.5652174	0.6956522	0.0
24	C23 H16 O13	501.06638	501.0672	0.23882023	501.0665	8778	16232	15558	11180	38170	24418	3222	0	37054	10812	2636	4192	99575	16436	3634	0	0	60806	51444	7872	15464	29504	9648	4306	4938	0	0	0	0	2222	0	0	5834	0	16312	0	4798	5598	0	3240	8106	3984	0	0	0	9850	17564	4600	0	0	10818	10932	22942	0	56892	40628	14794	0	3584	2886	2336	7822	75224	42974	15732	51746	11072	0	3534	0	0	0	0	0	0	0	0	0	19660	13486	24700	14276	2080	2656	63122	21448	13596	8622	8772	0	0	2898	7024	37636	43854	0	16756	11958	26236	47310	60778	3038	0	2664	11430	3806	33236	0	3890	81092	Phytochemical	0.5652174	0.6956522	0.0
18	C23 H16 O13	501.06638	501.0672	0.20363308	501.06647	29066	23522	16222	23478	65770	21216	4624	0	58948	13568	7998	2300	90492	21856	7020	3404	0	53098	45228	12764	19856	61606	11306	2770	0	5062	0	0	0	0	0	0	4196	0	29300	0	3636	0	0	0	9948	6588	1300	0	0	25142	43148	1000	0	0	23322	19002	24608	0	49054	47756	28118	0	3100	6496	0	12018	141466	58008	16204	71222	15362	0	6410	3826	5374	0	0	0	0	0	580	0	29874	30486	23352	30310	0	4450	87502	31710	13332	9944	11962	5450	0	0	7592	80270	44068	0	15198	15138	54430	83844	77694	3330	4216	0	19004	0	43326	0	2904	74978	Phytochemical	0.5652174	0.6956522	0.0
28	C23 H16 O13	501.06638	501.06702	0.20307977	501.06647	10473	6178	8630	8047	19370	9016	1028	0	16027	8643	1414	1401	43294	8854	4174	0	0	27997	22472	5429	5388	12647	7033	0	3379	0	2894	0	0	0	1409	0	2305	0	11248	0	3047	2596	0	2126	4687	2307	0	0	0	3289	4708	0	0	0	7710	7209	13357	0	24935	19816	4958	1703	2006	1489	3019	3364	36104	19666	5158	24929	5950	1290	0	1679	2350	1094	0	0	0	0	0	1759	13015	6397	10963	3259	1447	2174	26967	12834	6748	4542	5416	2282	2506	2116	3502	9743	19985	0	7870	8709	12477	21039	19296	0	1322	0	2925	1385	15225	0	2350	32453	Phytochemical	0.5652174	0.6956522	0.0
12	C20 H20 O15	501.0875	501.08832	0.26397505	501.08762	2022	3531	3696	1840	11691	2805	0	0	11016	0	3657	1525	18880	814	0	0	0	8791	9190	0	0	5760	2961	0	0	0	0	0	0	0	0	0	1778	0	0	0	0	0	0	0	0	2032	0	0	0	0	0	0	0	0	2393	2004	6657	0	7017	14248	4471	0	0	0	0	0	23835	9938	4053	12100	3069	0	0	0	0	0	0	0	0	0	0	0	0	0	3203	3732	0	0	9889	1904	0	2955	3605	3758	0	0	0	8555	3029	0	0	0	10075	19194	15865	1871	1096	2432	0	1311	8557	0	0	25721	Phytochemical	0.75	1.0	0.0
18	C24 H20 O12	501.10275	501.10352	0.19141032	501.10284	45307	53310	52036	34266	65226	32450	7145	5348	66714	126540	53232	6955	104418	33987	19375	7787	2661	83005	86095	83696	71953	104394	22560	11503	9684	31940	8754	31597	4339	3189	5307	4609	11462	4351	189429	5402	14780	12765	4026	47691	36259	12341	1298	0	0	78805	79737	687	8334	6067	42633	49291	37492	0	76556	58349	26430	16988	11338	8551	13589	33226	130077	57776	24064	86849	24245	5711	28988	44817	42483	5169	2529	2473	4206	0	0	10020	42293	64212	29618	77289	6450	25844	69303	42151	32772	16624	18286	11964	17370	30050	13731	99224	132013	0	47338	40057	68422	75666	71902	8148	9775	12173	55832	11304	49355	0	14881	92540	Phytochemical	0.5	0.8333333	0.0
24	C24 H20 O12	501.10275	501.10342	0.15399334	501.10284	13453	12711	11866	13097	25381	11562	0	2802	28249	35024	9250	1293	53993	11744	4778	3393	1741	29987	24646	10824	14902	27935	3990	2426	3127	6835	1263	4030	1459	0	1777	0	2113	0	44914	0	2620	5930	0	10305	6883	2463	0	0	0	15922	20570	0	1244	0	10631	6822	14734	0	36040	21387	7977	2078	4006	1170	2391	7660	55455	26058	7263	32964	5361	1900	8301	13962	12922	0	0	0	0	1482	0	2518	11642	15113	13627	16159	1886	4140	34868	11449	12428	4268	5406	0	3222	6947	2332	28976	51694	0	15740	14122	18556	23985	29591	1582	1155	2307	15228	2655	20449	0	2874	40877	Phytochemical	0.5	0.8333333	0.0
14	C24 H20 O12	501.10275	501.10355	0.124829456	501.1028	23998	22772	16326	27653	30180	13469	4407	1878	37240	84069	51423	2987	52029	14534	7162	9104	4673	25612	26384	42035	47904	67130	8850	6915	4772	20552	5355	15337	2147	1816	2530	0	7010	2956	119508	2185	5776	7708	5153	17248	36395	6760	0	0	0	37514	62737	0	5067	4015	24449	21472	18775	0	31419	34341	9921	4377	0	5534	0	16146	60083	27206	14803	35574	11647	5036	25665	26480	43651	2037	3926	0	1991	2690	0	4106	20528	23748	16056	39726	5683	13512	39453	19488	16268	8138	12337	11321	6747	7919	8680	66227	73448	0	25913	21813	37596	38179	39693	3528	6503	5337	41606	3745	27996	0	6399	42205	Phytochemical	0.5	0.8333333	0.0
28	C24 H20 O12	501.10275	501.10352	0.20179617	501.10284	7567	6013	6165	5359	11675	6488	1575	0	14968	20300	3169	1517	26050	5788	3668	0	0	15828	10945	6711	11063	12538	3827	3152	4200	4897	1753	2043	0	0	984	0	0	0	19067	0	3930	1671	0	4789	4696	2816	0	0	0	4237	5705	0	0	0	4526	4508	7058	0	15100	12693	3863	1504	1225	1289	3865	4316	23094	12073	3376	17753	4030	1023	3786	6830	8310	0	0	0	0	0	0	0	8839	7541	9801	4967	0	3121	17642	8602	7061	2451	3022	0	1177	3332	0	12877	22424	0	6239	6722	10668	13698	11468	1924	0	0	5525	939	7798	0	1826	20363	Phytochemical	0.5	0.8333333	0.0
26	C24 H20 O12	501.10275	501.10355	0.18960351	501.10284	10057	6100	7323	6763	18486	7431	0	0	20243	25819	3548	0	33275	7215	0	0	0	27727	17697	9524	9609	19281	5012	0	0	0	1657	0	0	0	0	0	0	0	27341	0	0	0	0	7314	6325	0	0	0	0	6923	14253	0	0	0	9396	9212	9135	0	24962	14554	5803	1604	0	0	0	5021	33966	13596	0	19742	5953	0	0	9793	8177	0	0	0	0	0	0	0	9158	13191	11291	7330	0	3535	27127	11198	8138	3229	4246	0	0	2703	0	19073	40737	0	7010	8739	13463	16698	17875	0	0	0	8255	0	8865	0	0	29529	Phytochemical	0.5	0.8333333	0.0
10	C24 H20 O12	501.10275	501.1038	0.3216889	501.1029	2039	2383	2010	0	4947	1611	0	0	4573	12167	10691	1268	6077	0	0	1346	0	4304	4704	3782	4203	8373	0	1293	0	3710	1333	0	0	0	0	0	0	0	20321	0	2269	1634	1200	1594	6159	826	0	0	0	5623	7660	0	0	0	2188	2222	2718	0	4703	4420	2342	0	0	2531	0	3478	7558	4328	2885	6521	1857	1805	0	3251	10113	0	0	0	0	0	0	0	3480	0	4223	3927	0	0	7497	2759	4179	1761	1350	2135	0	0	0	7670	6748	0	3377	1934	4008	10630	6837	0	0	0	0	0	6094	0	0	5391	Phytochemical	0.5	0.8333333	0.0
16	C24 H20 O12	501.10275	501.10352	0.14311111	501.1028	38172	37106	28908	37066	55066	29056	6891	7898	62412	121046	57302	7129	90837	23107	11850	6237	6962	55415	58309	60158	77206	98819	18642	6138	4373	23757	5340	34265	6436	4234	2436	0	13864	4218	162531	3805	14044	11831	7512	35553	37889	11992	958	0	0	54968	79226	0	5025	2780	31439	41933	31914	0	48997	45356	18344	9092	9592	8790	0	28385	108254	43708	17177	70307	15831	5512	30617	42554	56039	3154	4238	1717	3645	2600	0	7046	31082	63276	20432	68551	6290	25373	65600	31981	21509	15466	18008	0	10651	16110	0	85963	104407	0	37914	31157	56462	60069	59571	14072	7570	8705	56494	0	49534	0	11441	80415	Phytochemical	0.5	0.8333333	0.0
20	C24 H20 O12	501.10275	501.1035	0.2021658	501.10284	37601	32462	33387	35062	58928	34539	7664	4649	62289	109694	40919	6596	106239	27293	11827	6794	1251	63870	63016	54894	56058	94744	17282	10951	9442	21434	6359	20973	4693	3426	5071	2862	10392	0	114759	2616	11825	10295	4756	37682	32336	11171	1727	0	0	64461	73443	630	3380	3420	38402	37287	36829	462	61428	51158	26429	6591	14034	7168	7882	31345	117394	57409	19998	71598	22382	4199	22286	33381	26790	1783	3674	0	1682	2846	0	6459	41039	49322	25103	55174	4047	30551	69638	36280	21554	17142	16294	7107	13188	24640	0	77252	81200	0	34646	28336	54796	66436	59392	5893	5022	8513	46182	8867	45725	0	8980	100431	Phytochemical	0.5	0.8333333	0.0
18	C23 H20 O11 N2	501.11398	501.11475	0.17839703	501.11407	7540	7781	15954	13694	12527	6255	1667	1988	15627	32748	14808	1237	19289	3277	3464	7518	3321	10099	8800	24743	16564	27867	7133	7807	7613	13041	1242	9377	0	0	0	0	4316	0	40026	0	10867	1693	2233	28270	22342	3447	320	0	0	29152	36598	0	2044	0	12160	12891	4561	0	15813	8935	5331	12442	6644	5339	10904	24039	23970	16850	7581	9928	3426	1471	11842	18159	24318	1849	0	0	1729	0	0	6064	7580	20705	6341	20388	1645	20370	13108	4823	10585	3074	5598	2947	5066	15545	19847	37790	43041	0	5803	5071	16560	17354	8993	7751	0	2321	17562	2930	15297	0	2511	16464	Phytochemical	0.47826087	0.8695652	0.08695652
20	C23 H20 O11 N2	501.11398	501.11475	0.14690349	501.11407	5551	7724	4574	2745	6085	4190	1711	0	6676	11094	3965	2580	14491	3316	1523	0	1741	6914	9464	7067	12983	21273	3176	2124	3834	2284	0	4047	1561	0	0	1362	0	0	16533	0	0	1224	2323	15295	14624	2399	0	0	0	14165	24979	0	2525	0	3500	3057	4524	0	8499	2758	1657	1892	1311	1072	1989	10680	15930	8746	2006	10129	2437	1354	1429	2553	3791	0	0	0	0	0	0	0	7225	17194	3323	9200	0	0	7339	3534	4225	3349	2444	3388	2484	2049	0	15870	26062	0	4576	4169	3892	5491	5228	2816	1903	1804	16608	0	4873	0	0	11814	Phytochemical	0.47826087	0.8695652	0.08695652
18	C25 H24 O9 S1	501.12137	501.12344	0.48564947	501.1216	42694	27659	24936	30863	39054	27084	5808	11856	49126	66772	29114	13106	59834	12130	21012	11192	5248	56272	39400	29764	35336	88828	24864	10852	9792	18831	0	6855	12614	13676	14572	11914	15206	9642	30164	10408	20268	20448	15376	45022	51466	12188	924	0	0	120986	126370	0	15036	6904	25566	23176	28780	0	78296	20940	18360	12440	22510	10266	13562	35756	73580	39136	13557	36914	18860	7072	15305	20465	65476	19712	8672	11014	4702	12374	0	14830	12524	25964	8982	115930	10160	8176	31000	15758	8002	10300	19610	0	13134	34146	14714	70007	59718	0	33195	17880	31658	20570	23465	9656	12264	15122	110334	10846	28396	0	5992	60812	Organosulfur	0.36	0.96	0.0
24	C21 H24 O14	501.12387	501.12442	0.33760047	501.12405	8114	5362	2137	6402	3292	7534	0	0	7916	69956	19038	0	11222	2312	0	2436	0	5916	4260	22080	26036	20686	0	1714	3062	47424	0	10790	0	0	0	0	1247	1468	48094	0	0	0	0	33480	14340	0	0	0	0	14305	28257	0	2092	0	7114	7338	4507	0	6140	5826	5362	2334	3937	0	0	9628	4108	6058	0	5172	7911	0	32536	38880	49656	972	0	0	0	0	0	0	0	16170	0	9109	1216	7666	8056	0	0	3348	3622	3662	3178	6874	1514	28118	38858	0	0	8988	4718	3332	0	2640	0	3904	6330	0	0	0	856	10421	Phytochemical	0.6666667	1.1428572	0.0
28	C25 H24 O11	501.13913	501.1398	0.14253688	501.13922	5231	5552	7070	6182	11568	4605	1828	0	13567	23436	5998	1282	22403	6455	3720	0	0	13113	13098	13031	17306	9750	4385	3903	0	11501	1829	3103	0	0	2349	0	2324	0	26764	0	2204	2297	0	8205	5888	0	0	0	0	6591	9634	0	2734	0	8000	5863	7468	0	14430	10466	3356	2241	0	0	3662	5076	19810	9002	2730	14650	5146	1247	10871	18731	20187	1521	0	0	0	0	0	1803	8532	7951	6698	5227	1406	4359	15903	6237	6094	0	3104	2176	2823	4650	2296	10906	17173	0	5710	5467	9342	14484	14363	0	0	0	4332	2190	9977	0	2545	17839	Phytochemical	0.44	0.96	0.0
10	C25 H24 O11	501.13913	501.14	0.18198131	501.13922	4350	4345	6360	5600	2304	2722	1635	3536	5133	17387	8768	1880	4732	2617	3460	4930	3589	2882	4654	10508	10225	7302	1680	4761	1010	8626	5194	4080	2734	2355	2086	3253	2029	0	20162	3178	2694	1656	2204	6825	10368	1615	0	0	0	7785	10878	0	2488	1417	4870	4311	3285	0	3445	2646	2770	6657	0	4590	0	2675	5520	3246	2129	3939	0	2781	11661	7604	19759	1518	3796	2894	3938	2260	0	2165	5437	7223	2685	5945	2893	3880	4388	2151	3811	1880	2311	3528	0	3324	3538	6325	7511	0	4546	3861	5005	5923	6514	3901	2621	4325	0	2402	4644	0	0	4392	Phytochemical	0.44	0.96	0.0
16	C25 H24 O11	501.13913	501.13995	0.17708619	501.13922	75264	81466	66429	72189	73260	44344	26491	36708	84279	258942	127536	24870	95041	40173	30008	30935	21466	87328	91625	147650	155489	109463	34857	36103	37295	115704	24843	84143	25283	26812	26681	27995	27555	26340	309674	20965	32898	29194	28069	103088	95427	23410	1520	0	296	125875	137705	0	29203	29111	73801	65767	48859	0	74679	54654	33996	37010	34854	26151	39539	63941	114612	64237	28101	76280	41017	31270	118961	170190	156012	32709	24263	22692	21385	29270	0	21827	56197	80790	49952	113953	29225	76742	81140	40951	55484	28557	27313	37033	42715	50413	37491	105136	137872	0	73294	70235	77903	69543	68992	32912	21676	40435	89195	27307	60480	0	31296	93799	Phytochemical	0.44	0.96	0.0
24	C25 H24 O11	501.13913	501.13983	0.17021331	501.13922	22544	20933	22299	22436	32269	18648	4834	5294	40676	86309	31854	4107	66021	16817	6017	3951	2478	40108	33355	47609	46466	48193	13687	6350	9003	38308	4110	16459	2440	2386	3912	2150	7113	3359	94410	1248	8669	5870	3702	29464	19016	5984	0	0	0	34483	34010	0	6130	3876	19305	24971	19189	0	42290	28454	11695	9644	6070	4593	2945	21031	63142	34541	13950	44296	10292	2306	36352	63430	56053	3285	1357	0	2273	2821	0	3575	23410	22772	15654	28867	4764	25241	44688	22375	12715	4600	9694	4606	9073	11075	12937	40665	55582	0	24893	23044	26631	35735	40981	6091	4853	10047	27040	3681	27057	0	4789	58265	Phytochemical	0.44	0.96	0.0
20	C25 H24 O11	501.13913	501.13983	0.1470088	501.13922	81320	80733	77229	73086	100376	63002	23212	26417	122077	301701	136841	18758	153698	59411	33496	26278	16677	127265	119700	185655	176515	147349	40995	32194	30381	131912	21700	96043	21258	15747	21954	20785	32246	19963	363392	18161	39133	31643	21962	124514	81698	28223	2700	0	0	147459	147695	843	24330	15425	81550	85568	69067	0	108139	96275	38912	35282	35551	17463	33085	79329	166882	95017	38654	102859	46634	18187	124054	186657	164897	25642	16424	12123	14979	18579	358	25057	67038	74602	57934	105668	23698	99249	112859	58258	70586	25811	31967	22476	56236	57689	41876	120020	164829	565	87049	79853	101478	92477	90763	23940	20107	44050	114436	24697	82736	0	34727	156375	Phytochemical	0.44	0.96	0.0
18	C25 H24 O11	501.13913	501.13986	0.15360539	501.13922	107130	99940	86966	83493	106015	68073	28308	37193	109480	338872	149811	22584	164609	58073	33342	34411	19790	118807	120457	225302	191239	160446	42563	37315	33861	145028	30330	125953	35970	24077	33715	31194	45079	23513	420536	25327	47173	36428	26553	134874	104434	29472	3217	0	0	161781	141376	0	36116	30887	94763	97026	61441	0	123872	95363	42707	38947	34248	19065	38633	93923	176186	89160	48679	122190	52703	26932	124410	224712	194301	29780	24998	20387	18815	32038	0	28239	64880	113014	57524	145855	34923	103628	106978	63576	51220	36346	39760	36254	59027	67954	46318	129940	186376	489	93822	83079	103417	94813	91614	35145	24804	40110	109653	32567	82884	0	34362	142507	Phytochemical	0.44	0.96	0.0
14	C25 H24 O11	501.13913	501.13995	0.1540549	501.13922	41374	46849	41450	41151	36029	21285	15074	23091	46781	153163	85651	20317	43994	21768	20200	21839	19716	33495	41361	89582	90692	67379	23815	17847	19198	67899	19568	60867	15334	16152	19326	16117	24505	17181	155917	15754	21379	23027	20950	56019	76693	14997	0	0	0	72843	116839	0	22794	14890	46078	42235	26609	0	41026	29822	19127	31896	29755	20497	26336	44113	59531	32864	16860	42650	21642	16489	74231	91841	91559	15667	21508	10896	16618	18359	0	18505	37625	45533	28694	58932	20663	45108	39990	22985	35720	18782	19394	22665	24549	21151	26405	69551	73606	0	48697	35722	39515	41397	42046	15131	18189	21029	73390	22430	32070	0	20236	47527	Phytochemical	0.44	0.96	0.0
26	C25 H24 O11	501.13913	501.13977	0.13156347	501.1392	10088	10849	10818	10702	20294	11275	0	0	28075	42672	9330	0	45234	10726	0	0	0	29806	26807	26314	25927	23942	0	0	0	15763	2139	8884	0	0	0	0	3552	0	49687	0	3563	3949	0	16881	11179	0	0	0	0	20034	19555	0	2650	0	14220	11275	11632	0	20344	19993	6014	2159	2745	0	0	9842	35365	18461	5984	22808	4040	0	24181	35397	35147	0	0	0	0	0	0	0	8629	11107	10453	13712	2909	9992	27316	9731	8513	4075	5684	2118	3576	4979	4388	22075	38899	0	12739	10893	17108	24730	15021	0	0	0	15328	2524	19538	0	4571	29809	Phytochemical	0.44	0.96	0.0
10	C24 H24 O10 N2	501.15036	501.15125	0.18220437	501.15045	12708	11244	9232	12053	13781	7037	2044	5621	14414	41857	24756	4780	17771	4733	3928	5331	5179	12451	16716	32487	32754	28844	4655	10475	3965	15015	4043	10674	3954	3746	5747	5088	7070	3751	58603	4469	6503	4759	5851	34811	32708	3904	0	0	0	30037	38835	0	5829	4329	14085	15012	4854	0	15326	7915	4565	5432	3104	4638	11142	18706	19845	9383	4405	13214	5311	5696	20485	27148	34767	4823	4261	2043	2997	5131	0	3894	10919	16491	7975	17727	5232	16805	12012	4951	9732	4133	5809	11922	3992	16581	15972	22354	34317	0	11995	12930	6791	12590	9881	8176	3808	8707	0	6627	7014	0	4603	17716	Phytochemical	0.41666666	1.0	0.083333336
8	C24 H24 O10 N2	501.15036	501.1513	0.15628773	501.15045	5853	5229	4183	5720	5320	2434	1400	2826	6892	24671	12267	2760	10036	2153	2000	2631	3277	4840	5217	14570	17802	12949	2676	5121	1948	5802	1329	5282	2489	1247	2360	1811	3420	2061	28018	1774	4483	2478	2479	12976	18425	1121	0	0	0	16077	20361	0	3705	1041	5524	5213	2327	0	7775	4960	2347	4503	2407	2914	0	8873	8555	6791	1854	6605	2298	3223	10112	13172	18269	1736	1661	2607	2082	1993	0	1573	4136	7282	3161	8571	1708	7264	7440	0	4900	2122	3392	6088	0	0	3819	17262	15785	0	6096	6071	3360	7313	7066	5665	1422	4036	0	2535	4017	0	3371	8341	Phytochemical	0.41666666	1.0	0.083333336
20	C24 H24 O10 N2	501.15036	501.15106	0.13983428	501.15045	18692	8662	8690	8378	14330	6544	7605	3835	14125	36287	13955	3211	18870	6486	7386	10221	5870	12478	12728	22112	26970	31970	9439	12766	7662	8952	5394	15962	5073	3113	5624	4178	8180	4332	36679	2872	12385	3612	7218	27160	20121	4765	0	0	0	35663	24855	0	6253	0	10514	13038	9428	0	14817	12440	5465	8650	8093	4123	8359	21440	20815	10724	3182	12062	9711	4019	9707	17247	10940	6963	2244	1323	2423	4841	0	6734	11819	15028	10290	20074	6685	21914	8271	7837	12641	6245	5217	5254	11548	12941	18246	27439	24883	0	11421	9058	9342	11278	8931	7405	3749	9181	20891	8521	7686	0	9752	17580	Phytochemical	0.41666666	1.0	0.083333336
20	C21 H28 O10 N2 S1	501.15375	501.15472	0.5843596	501.15402	2870	3534	3576	2185	0	0	0	2615	0	3011	5851	0	2542	0	0	0	0	1923	3740	0	4476	5014	2058	1670	3278	10729	0	6325	0	0	2045	1655	0	0	2001	0	0	2957	1559	3243	3085	1255	0	0	0	2241	0	0	2371	0	2339	2740	0	0	0	0	1330	3521	3116	1995	2080	3248	4190	1974	0	1631	1779	0	10077	10090	24644	0	0	0	0	0	0	0	2657	2914	0	0	0	0	2048	0	2430	0	0	1967	0	3088	5401	4696	2772	0	2185	2956	0	1656	0	0	0	3013	2229	0	0	0	0	0	Organosulfur	0.47619048	1.3333334	0.0952381
20	C26 H28 O8 S1	501.15778	501.15854	0.3279506	501.15793	27055	24231	12592	16823	11802	13315	6241	17490	22392	56161	20916	4711	17274	5432	15060	9734	6522	22888	21360	49089	46273	29058	14359	17442	14534	43670	6220	34580	15525	9857	15288	12154	12464	14271	70126	8732	16618	11016	5559	48477	38758	4655	0	0	0	53797	24318	0	15902	5992	14327	21191	17082	0	27604	11806	4070	14397	20774	7248	10831	46674	26038	16450	4889	13635	8931	4869	43618	36398	48727	17144	10285	19724	5656	15161	0	15462	8724	40226	10934	35779	11487	21635	12425	9396	14905	6834	8935	8612	19418	20817	14009	44109	41477	0	20556	15962	9448	6145	12268	9982	9548	14654	42620	14255	11394	0	9753	29629	Organosulfur	0.30769232	1.0769231	0.0
22	C22 H28 O13	501.16028	501.16132	0.50007707	501.16052	14561	14396	12037	11308	9751	7966	2368	5165	10367	67344	29100	2752	11975	0	6914	8882	5200	12618	16015	22596	32869	29264	2368	4192	7244	57237	3926	29945	4413	4921	4003	0	5120	6056	41975	4198	2897	3447	6612	28281	52814	5092	0	0	0	34250	24738	0	5454	4636	13118	10135	5574	0	10981	4242	3298	5357	11179	4221	7763	20855	11657	0	4214	12780	2664	4397	36144	52024	68286	5556	2935	5581	3311	2278	0	4161	2980	17980	4126	14881	3996	22096	6113	3885	8443	2552	6025	3542	7139	22691	11195	44440	44266	0	11092	12159	9215	4623	4828	5756	2430	9841	35506	2631	10505	0	3767	5676	Phytochemical	0.59090906	1.2727273	0.0
12	C16 H28 O14 N4	501.16748	501.16916	0.6999334	501.16782	0	0	0	0	0	0	0	1728	955	0	10627	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1771	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	60787	0	0	22788	0	0	0	0	0	0	0	3627	0	0	0	1029	0	0	0	0	0	0	0	0	1213	0	0	0	0	0	0	0	0	0	0	0	0	0	1579	0	0	0	0	0	0	0	1246082	0	0	0	2134	0	Peptide	0.875	1.75	0.25
12	C21 H28 O12 N2	501.1715	501.17236	0.20163488	501.1716	18503	21264	16003	15482	8412	12501	11328	28486	14970	12351	5725	15760	14561	4929	26192	16105	11168	21188	25570	25268	19123	30649	23931	15235	14025	0	10247	0	29917	19470	23805	20761	29901	18595	26020	16198	22519	22288	14700	18786	12060	12060	0	0	0	23852	15003	0	16815	19063	17429	13334	11916	0	30407	8653	9414	22160	27727	12497	0	14098	22890	20690	9479	17100	14202	13603	0	0	4717	20946	19449	19374	10255	16304	0	20036	14762	0	14222	12717	14678	8040	9139	10476	12639	10293	13781	22698	11487	24930	48156	7457	14448	0	14915	20147	5928	6453	10509	27913	18025	17879	0	25268	7813	0	11219	25281	Lipid	0.5714286	1.3333334	0.0952381
14	C21 H28 O12 N2	501.1715	501.17233	0.18358186	501.1716	14463	16367	16827	19497	5939	9385	13411	27628	17029	14216	7424	9648	21503	2744	21053	14865	0	23674	20445	18124	17740	21739	18818	22888	15317	2226	10153	0	20367	17115	21315	18671	29708	15636	22559	21735	26439	20085	9243	15732	8815	8678	0	0	0	21514	15830	0	17842	16638	18318	14532	11558	0	31300	7755	6456	16984	50649	0	0	12024	15586	22437	5748	15406	10984	10273	0	0	0	21498	14860	25600	12126	18126	0	17335	12536	0	13430	10025	11768	9280	7842	10025	9647	8648	10032	14797	13645	19707	38614	6758	12565	0	18139	15626	7215	7609	7173	26614	14670	23464	0	24427	7527	0	13442	20172	Lipid	0.5714286	1.3333334	0.0952381
10	C21 H28 O12 N2	501.1715	501.17233	0.18108931	501.1716	15178	14411	17086	20389	6956	6530	11113	21281	13298	12734	7962	13101	16669	2482	15087	17661	13495	15925	15874	13764	12347	24080	16996	24480	8204	2345	10203	0	13632	14855	20276	15352	26828	12380	24072	19090	25421	12900	15886	15243	13949	11018	0	0	0	17018	17424	0	17794	16227	20497	14815	10172	0	19141	8016	7718	17303	26457	9993	18185	14746	20068	14483	5199	11433	8234	13902	0	3694	4556	15270	15994	14126	11296	15421	0	13442	15487	0	13549	9675	9096	5382	8104	8446	14999	9849	12155	16716	8969	18875	37295	9108	18205	0	13432	17112	4967	6300	6279	24256	12657	22926	37500	22937	5987	0	10021	22012	Lipid	0.5714286	1.3333334	0.0952381
26	C26 H28 O10	501.17554	501.1762	0.1074777	501.17557	20427	22576	24236	24068	37156	18470	4385	7957	41846	75176	32632	6132	62560	21752	15516	11403	0	37946	38801	53558	55422	28048	14275	12365	9754	55929	3797	25435	8631	6819	6891	4488	10104	7951	90361	7077	11244	11646	7329	34586	29033	8608	0	0	0	25925	32441	0	10626	7098	27457	24224	18341	0	42321	39517	11773	15232	8820	6356	13805	23253	54481	32540	9977	39438	16753	7452	64696	99775	97563	6824	3891	0	0	6797	0	5906	26208	19142	19229	17727	7464	21286	50929	19454	20713	7916	10617	7569	11563	15361	13536	20350	44509	0	18586	23585	30189	39788	41846	8204	5642	11725	15486	10231	26533	0	9885	55103	Phytochemical	0.3846154	1.0769231	0.0
28	C26 H28 O10	501.17554	501.1762	0.12826738	501.1756	10845	9756	9355	9187	16616	6012	2450	5949	15191	32458	13289	2713	30935	8550	5691	5561	2921	16102	19090	21442	25642	12878	7569	6673	5526	26039	2765	13506	0	2799	2389	2149	5173	4049	36153	0	7226	4182	3769	13755	10146	3364	0	0	0	11720	11754	0	5048	3544	11268	10067	11019	0	20324	15323	4187	5422	2976	2523	7510	8041	23763	11697	4119	19445	6113	3248	30479	41054	43302	2785	1787	0	3406	2072	0	3060	15216	11136	8821	6474	4073	10135	22690	9551	8768	4752	3195	3126	3517	7171	6450	10628	14112	0	12369	11220	11936	17213	16621	3972	1672	4755	7586	3597	11449	0	4768	22252	Phytochemical	0.3846154	1.0769231	0.0
24	C26 H28 O10	501.17554	501.17618	0.08984159	501.17557	67601	58549	55114	58279	69742	52771	13949	27108	82343	170755	77863	17983	126651	39564	27851	27874	14726	81639	79760	117990	123658	64162	38969	36253	25490	130792	14564	61648	20138	15927	19649	21795	25033	19393	182317	19660	33154	23865	18176	86596	65432	23728	0	0	0	77855	68089	0	23655	19219	59194	55530	47709	0	84950	66541	25851	34002	23283	14170	27146	62929	109121	70115	27088	84549	37155	18272	117397	200950	187745	23649	19158	12243	12589	15206	0	18546	53634	37305	45796	57943	22203	61496	85588	38886	47246	20134	33064	23636	35828	41159	40343	48659	75893	0	58038	51469	59652	75295	78082	21771	15706	33226	51345	27804	53066	0	25604	114789	Phytochemical	0.3846154	1.0769231	0.0
14	C26 H28 O10	501.17554	501.17633	0.1127476	501.17557	59833	60666	57312	58208	30431	24798	42873	51115	45802	118164	87438	33981	33485	25437	37025	47500	32869	38608	45416	96538	90710	57482	39133	59165	31472	104394	32493	60467	27816	42628	34847	57690	46187	33389	131532	36303	37078	39124	47917	68717	93540	22220	0	0	0	57405	82611	0	42377	39769	63140	62533	29752	0	38544	32128	25857	54823	43623	41345	55220	49922	45912	38289	22240	37275	23352	45654	104480	113046	145355	35568	36613	37909	38099	39889	0	31072	56420	36557	49211	50287	41213	62964	41940	23029	52286	29932	26841	69356	42927	37266	44513	44763	53509	0	64159	52446	41506	46159	36775	36289	31854	60095	58560	36923	31626	0	39932	35471	Phytochemical	0.3846154	1.0769231	0.0
16	C26 H28 O10	501.17554	501.1763	0.12242192	501.1756	123638	127103	107946	112610	92622	69712	67854	86145	111965	275360	161819	56810	102409	58501	76016	99509	70304	89309	118378	244517	235233	131962	83073	97606	66985	254772	60064	128596	75573	67369	90897	87567	91523	66300	309274	79085	83335	71343	73669	161830	161965	49261	2147	0	0	132532	144590	0	98123	74661	114735	129764	68045	291	103273	88996	56845	92832	76360	70991	86677	103298	123557	95230	54507	93907	62057	77056	206390	292707	306254	81403	79502	75005	80313	81689	0	62729	112583	86220	98023	110426	78796	132788	110946	58310	107197	52363	62190	131791	87873	88194	95803	90271	134379	0	117566	115410	88328	97043	88690	86835	59001	86739	96559	89889	79324	0	81604	114355	Phytochemical	0.3846154	1.0769231	0.0
22	C25 H28 O9 N2	501.18677	501.1875	0.18443398	501.18686	6871	4980	7586	7160	5853	4112	4799	5216	7321	10628	11058	3160	4681	0	5117	9920	2230	8405	7217	10454	12849	15935	4586	9089	5764	4376	2990	5148	4703	3665	5439	0	8962	5708	24420	5853	7811	4084	5077	14953	8585	2811	0	0	0	11272	4828	0	7122	5423	5894	9218	5648	0	6071	5167	3627	6319	9603	1582	4989	11802	5556	5341	3056	5752	4923	3669	5156	16739	7471	0	3268	0	3323	1867	0	3553	4913	6755	6402	6783	4409	6203	4462	3320	9482	5606	7340	8064	5788	18077	14250	9807	12000	0	9121	6410	3371	4431	5974	8588	3829	8563	4127	9378	5508	0	8243	11904	Phytochemical	0.36	1.12	0.08
8	C25 H28 O9 N2	501.18677	501.18768	0.14833307	501.18683	8010	12373	8453	10704	5510	4657	3558	5626	6008	22908	11872	4017	7224	2782	3764	6462	5326	5858	4764	25841	26400	18946	5298	8183	4678	11610	3365	5448	7368	4898	4167	6570	6312	4401	31834	3126	6454	3515	8387	25016	19233	4052	0	0	0	13899	17113	0	5476	4773	10025	9464	5454	0	7429	5238	2478	8782	2073	5154	10775	11276	6388	7482	3442	7919	4338	6072	16685	23176	20997	6086	4491	4852	4293	4431	0	4505	8681	8852	4747	6124	3584	14523	7325	0	7728	4213	3140	7232	0	7110	12801	9397	21350	0	7314	9087	4566	7417	3613	4696	2981	8679	6494	4520	3858	0	6521	8143	Phytochemical	0.36	1.12	0.08
22	C27 H32 O7 S1	501.19415	501.19492	0.70209974	501.1945	13396	17451	15125	15183	7202	6732	5390	10117	9582	36278	27935	4483	8949	0	8352	7014	7501	0	21377	32115	32499	17223	9694	8986	11995	53203	2861	28611	7459	8775	8133	6428	12077	6756	51945	10617	11691	5971	3963	46786	39822	9348	0	0	0	24099	19044	0	9332	9642	8870	18680	6734	0	11621	9661	0	0	10614	16634	14004	22296	8815	6646	0	12660	0	5148	45431	49849	69596	9541	6048	9384	4186	6698	0	9321	5598	18563	6220	16854	7226	34828	6125	4952	12135	7565	6299	9186	35228	34428	23018	24671	31992	0	15672	19928	6759	6734	3069	6409	4243	17684	20582	14747	10506	0	6070	10956	Organosulfur	0.25925925	1.1851852	0.0
20	C27 H32 O9	501.2119	501.2126	0.115611166	501.21198	405986	410812	387777	347507	356152	243272	188093	308252	377515	723575	468091	199458	406660	224361	269556	351813	214073	343965	423765	773976	753877	362757	302331	353009	239108	952362	168190	444378	269215	246887	272909	265808	326872	246288	866624	244500	355080	230656	232966	483465	428871	201737	8342	1136	295	346193	313040	1251	299521	263480	386514	387613	286239	1320	384543	312013	190144	327152	252341	193886	316791	338816	415036	343902	167617	345371	230722	246830	711275	1196672	1205871	279753	254717	254592	217248	271929	0	220928	401680	241484	312365	227706	229569	442888	405413	217719	350887	205276	216637	297109	343419	354327	426025	239463	310955	1534	409901	369857	297469	346604	321358	307716	194819	343166	236300	284813	307081	909	251692	452708	Phytochemical	0.33333334	1.1851852	0.0
26	C27 H32 O9	501.2119	501.21262	0.08349305	501.21194	52300	58633	56052	52525	77487	41648	16478	46966	73558	117771	67159	26607	124310	42586	44629	42920	21618	77386	80700	119500	122796	56599	46966	45905	31667	143408	17258	59989	35062	28603	31468	31755	38870	31279	131543	40514	46827	31348	30747	79326	67138	32012	0	0	0	61341	65001	0	36549	34260	67774	48458	50310	0	82311	81102	38214	39698	31269	24890	46955	46345	91078	61067	23787	78123	43491	29231	156286	206990	210814	34148	27297	28990	23264	27758	0	28133	62990	32534	49974	38159	25984	50931	94979	45546	53782	31040	29724	29683	37910	52108	59212	42725	65658	0	53826	55286	55559	90263	89929	35235	22534	41120	34550	37162	62270	0	35418	90887	Phytochemical	0.33333334	1.1851852	0.0
12	C27 H32 O9	501.2119	501.21274	0.14774826	501.21198	12316	16683	17273	11379	4007	2982	9912	11369	4449	11310	10539	9612	4838	2300	7312	20700	18437	4664	3720	11526	9815	16339	10087	18007	8638	9144	15834	0	11307	11407	10049	10287	11101	7809	9188	11766	10785	9294	14579	8861	20604	7988	0	0	0	12004	11807	0	10554	14552	14952	12888	5145	0	10725	5662	3967	15523	14994	15848	16598	9929	5949	7147	3374	3623	5983	20364	0	12206	17585	6718	7840	15936	17184	14485	0	8099	14813	0	13317	8901	12702	6162	5187	3111	16896	2532	3531	27936	7250	7538	12286	4357	6230	0	18269	11742	3955	8089	5220	14922	10429	14667	0	9698	6353	0	14945	5650	Phytochemical	0.33333334	1.1851852	0.0
28	C27 H32 O9	501.2119	501.21262	0.10702105	501.21198	18567	18165	19777	18125	25474	12037	7289	16561	23981	42471	25106	7627	44327	13092	12446	17021	9559	23772	28186	34708	40939	17405	14084	15508	8327	54004	7758	25227	10355	11456	8718	12249	15434	11486	51187	11155	11703	9318	8282	22604	23183	9335	0	0	0	14545	16840	0	12806	12374	17875	19592	16585	0	23644	25109	9792	11696	8746	5463	15347	12197	32561	20081	8494	30115	12410	7198	51297	72462	85601	12949	6306	7003	7325	10222	0	6113	21146	14744	15918	10028	8860	15397	29631	14687	22101	9272	9554	9007	15127	16996	18076	13199	19799	0	19092	19425	14271	30254	33038	11585	8071	12210	8073	10038	20720	0	8228	27022	Phytochemical	0.33333334	1.1851852	0.0
14	C27 H32 O9	501.2119	501.21268	0.09796395	501.21194	45619	43973	46776	42233	21683	18657	44590	45079	26592	50783	40782	41029	25650	14769	31936	65364	54208	17077	29515	73107	52648	46795	40130	49352	34041	64945	39460	31344	30395	39531	36399	51563	44965	26829	51169	44818	31914	34417	58009	36139	51952	23759	0	0	0	34478	47170	0	46265	46728	55725	46432	24825	0	26658	23239	21267	58255	46185	51823	59880	28319	26714	22598	20668	24200	22661	55258	42778	61687	76742	29079	32176	46729	47804	44899	0	35583	71056	24832	54194	34966	35181	34921	31180	22390	66700	15836	21709	96183	36624	33147	50795	25667	32632	551	51581	47572	29675	35016	33990	40456	30144	60478	33077	37633	26808	0	47719	23002	Phytochemical	0.33333334	1.1851852	0.0
24	C27 H32 O9	501.2119	501.21255	0.10740279	501.21198	175740	165994	162249	173392	202015	141190	57692	115287	198847	383745	227641	64261	286629	116172	103579	144407	70007	220854	235458	382879	362875	164819	126761	142485	101572	428280	59119	192777	88096	92659	108020	188982	145901	105735	485255	98453	157703	91475	71192	251972	193417	77506	3893	0	0	169607	137585	0	115812	100438	180729	173316	133331	0	215313	176997	87170	151968	108897	61848	130034	164554	253900	171587	73084	223113	114619	69438	353776	620185	531652	133532	97070	85446	72301	86784	0	84761	177107	98183	143781	118468	83684	169359	209531	110477	157488	98612	90728	95598	130473	145617	192842	101816	169359	0	172839	168028	138268	172534	187201	111485	65943	139999	103765	123583	149059	0	89553	248441	Phytochemical	0.33333334	1.1851852	0.0
12	C26 H32 O8 N2	501.22314	501.22397	0.11482759	501.2232	8706	10139	8827	11145	2393	5488	8705	14069	3960	29031	9601	3259	3493	1774	6210	8734	8392	2071	8795	26351	30194	15073	7017	13262	9689	11256	4778	0	13106	7895	9917	11174	14987	11178	26142	11096	11488	7724	7678	21854	12991	4473	0	0	0	12131	9512	0	13983	7066	9475	9644	6415	0	5112	2799	3262	16505	5737	0	0	13806	5152	3186	3638	6839	6501	10862	0	19428	18666	10943	7124	9500	7742	7810	0	7861	8452	0	6107	4194	4937	14340	1664	2577	9552	8022	5262	13992	7351	8744	28762	14638	12519	0	11069	8862	2554	2537	2336	8824	6900	16960	0	11382	3686	0	8239	3503	Phytochemical	0.30769232	1.2307693	0.07692308
10	C26 H32 O8 N2	501.22314	501.22394	0.11283037	501.2232	7485	6069	7876	5359	4352	3667	4045	9041	2349	16515	8161	4009	4008	1532	4586	8056	6376	3428	5341	20203	21768	13170	5104	7850	9333	9900	3988	14625	7893	8574	9799	8289	11524	8860	21481	4770	9177	4965	8608	16968	11542	3822	0	0	0	9713	5799	0	9757	7499	8663	7582	3291	0	3502	1964	1482	7988	0	1947	0	10167	2989	2134	969	0	3527	7962	10491	20856	12552	6623	8563	6134	7681	6106	0	3684	5253	5726	4383	4424	4384	9197	3265	2348	7536	3932	4503	12262	17708	9004	15342	10446	19461	0	8312	8509	0	2388	1320	10627	3954	14659	0	7814	1545	0	7570	1594	Phytochemical	0.30769232	1.2307693	0.07692308
24	C31 H32 O6	501.22717	501.22778	0.05097711	501.2272	3331	3822	4203	4301	2608	1473	1336	2040	3660	2155	5677	2372	2891	3173	1832	3275	4033	2198	2520	4279	1609	1447	3230	4015	4690	26637	1822	8604	3097	3580	4162	3519	3938	2708	3979	2815	5048	1271	4006	3169	7443	3013	0	0	0	1409	0	0	4977	0	2658	5017	2599	0	1770	2361	2362	3748	3123	2625	3357	3899	0	1750	1724	1887	3207	4525	22708	10758	30304	0	3172	0	1941	1675	0	0	3174	2978	3681	4349	3070	6769	5365	0	4938	2320	1439	4073	0	3549	5626	2476	2769	0	1854	2667	2136	2673	2762	3777	3789	2994	2127	3094	2385	0	2790	2154	Phytochemical	0.19354838	1.032258	0.0
26	C31 H32 O6	501.22717	501.22784	0.07143722	501.2272	4101	0	0	0	2469	0	0	0	0	3684	6518	0	0	0	0	0	0	0	4713	0	0	0	0	0	0	22676	0	8279	0	0	0	0	3111	0	0	0	0	0	0	3876	4813	0	0	0	0	0	0	0	0	0	0	0	2641	0	5131	0	0	1849	0	0	0	0	0	0	0	0	3018	0	22677	9390	20120	0	0	0	0	0	0	0	3128	0	0	0	0	4762	0	0	4312	0	0	1858	0	0	0	0	0	0	0	0	0	4055	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.19354838	1.032258	0.0
12	C25 H32 O7 N4	501.23438	501.23447	-0.3956034	501.2342	2571	2618	3376	3967	0	2099	3664	7265	1166	0	4089	4160	0	0	3822	5161	4941	0	0	3070	0	0	3237	5905	3445	1531	0	0	7014	5337	4602	4187	6177	3091	1772	6124	4249	3701	5856	1649	0	2168	0	0	0	1695	0	0	7071	3617	4092	2976	0	0	1668	1291	1184	4622	0	0	0	0	0	0	1180	0	2838	4860	0	2970	4757	3479	6150	6557	5985	6421	0	5089	4012	0	2320	1723	1978	0	1384	1502	0	1374	989	9996	21328	6307	7425	4635	3848	0	4057	0	0	0	1121	6589	3203	6019	0	4334	1578	0	4181	1158	Peptide	0.28	1.28	0.16
8	C25 H32 O7 N4	501.23438	501.23505	-0.039054964	501.23434	6856	4466	4936	8644	1470	3072	4368	6898	0	3128	0	3628	1686	0	4682	5848	4466	0	0	4922	2366	6280	1029	7912	5518	0	3078	9794	4344	7454	8402	8504	7280	6076	0	5938	9682	3564	7892	7020	2852	2208	0	762	823	3974	4914	0	9240	6126	7876	5620	1246	0	0	0	2420	7858	0	0	0	2840	2244	1916	0	2166	2372	7070	0	0	0	4710	5872	7176	3664	4710	0	3060	2640	57286	3054	3408	4230	3070	0	0	3046	0	2378	12690	50004	15908	14592	8952	4832	605	5564	7568	0	0	0	7064	2956	5350	0	0	0	0	5798	0	Peptide	0.28	1.28	0.16
10	C21 H40 O11 S1	501.23642	501.23688	-0.058109663	501.2364	3218	6774	4944	6838	0	2322	4500	7314	0	5862	3046	5508	3326	0	5324	6934	5220	1964	0	4824	3398	7418	4928	7788	7328	0	0	8520	7264	8804	8812	5724	7000	8100	0	4026	10428	4724	7114	4746	1968	3786	0	10217	7105	7224	4958	1988	8564	7572	4858	3380	3154	787	3322	0	1310	5528	0	0	0	0	2016	1978	1774	2276	2204	9126	0	0	0	8028	7272	5932	9842	8216	0	3324	4992	47046	3322	2046	5932	0	0	1714	4518	3042	0	6088	75882	16758	12666	6188	5120	1756	6846	6094	0	0	0	4904	3946	0	0	10448	0	1377	11078	0	Organosulfur	0.52380955	1.9047619	0.0
22	C25 H37 O5 N2 S1 Na1	501.23935	501.24017	0.29573897	501.2395	2588	0	2996	2914	3210	1402	1209	5193	4850	4789	6211	2269	5196	0	4236	4180	3406	0	4057	10307	12231	3336	4083	3324	2855	12866	0	7210	5023	4559	2842	0	5851	4627	5959	4507	0	4531	2118	4851	7395	4274	0	0	0	2565	3991	0	3975	2858	6245	4176	2525	0	3067	4498	2154	3280	4173	1819	4909	3704	3194	4783	0	6504	3411	2352	10833	23503	22353	3854	0	4031	3896	4910	0	4034	6206	2177	3442	2099	3482	6718	4676	0	6338	2356	2245	2746	6231	0	4484	1396	2171	0	4661	4051	2007	3942	1862	3174	2859	2589	1201	3982	4600	0	2226	5015	Organosulfur	0.2	1.48	0.08
14	C28 H36 O8	501.2483	501.24908	0.10936469	501.24835	10209	10073	15279	13842	8660	3066	10764	19296	8540	8328	6841	15040	3763	3712	9366	16523	22630	2999	7890	8317	11581	10851	12215	15239	12204	11025	17956	0	9460	13802	13390	13945	14004	7597	5260	15841	5888	13679	21571	5128	9816	4564	0	0	0	4316	5925	0	14592	14950	12252	15335	6792	0	8006	9545	9637	13274	14267	18632	0	5131	7634	9023	6303	4572	4553	20410	0	12071	17818	3283	7836	12335	19103	11746	0	10189	22897	0	15382	4829	16708	5984	13024	5534	20057	2507	5293	30900	7651	8781	13660	3889	4632	0	14312	10567	8874	17164	15360	10609	9907	15497	0	12157	9708	0	16621	5835	Phytochemical	0.2857143	1.2857143	0.0
18	C28 H36 O8	501.2483	501.249	0.0471219	501.24832	151830	158582	133834	134100	129204	78155	120392	152730	127755	138983	118057	106563	106435	69022	126722	173827	158315	88070	138214	189772	157726	121433	129943	146181	107422	230588	126239	109863	147610	127039	131607	150383	135583	91886	152220	129490	140720	119637	186293	104970	137007	86764	2811	331	0	91591	110079	0	148570	125948	143490	141463	110136	421	159193	137821	96827	163633	98083	116259	139680	73209	144351	126460	82241	115284	93350	193085	168487	219367	295149	91788	87971	137592	158375	152835	0	96937	215499	92746	163243	82462	120169	97198	180168	113323	187619	70496	92917	177568	138108	142845	166478	69322	103712	521	141397	135499	107104	161317	168608	140488	98594	139726	61210	127262	134235	0	140536	116367	Phytochemical	0.2857143	1.2857143	0.0
16	C28 H36 O8	501.2483	501.24902	0.040361173	501.24832	50837	53417	42776	46928	33939	22588	50958	62706	39744	37261	27843	40507	26122	18228	47266	70101	76990	32746	42133	53495	42887	34758	46795	50481	39354	63568	47268	27079	51228	53560	52265	58994	58147	24149	33371	53955	40400	41556	82804	25629	40561	21910	798	0	0	22243	34371	0	63646	51080	53060	55974	33083	0	51765	38751	29005	58049	31876	48192	53374	23969	40457	31545	24768	33915	29166	74493	51811	60944	83706	28623	33064	57892	68839	47892	0	38176	77351	38415	56780	31827	41913	25626	56350	32675	68806	24046	32949	83464	44351	46576	71887	23830	28210	0	55138	50175	35356	70697	73294	56889	35717	39869	21566	37468	50919	0	57926	36636	Phytochemical	0.2857143	1.2857143	0.0
20	C28 H36 O8	501.2483	501.24896	0.081018254	501.24832	356007	359276	340737	340305	353468	183149	218832	353299	317470	403515	304978	238822	316367	192998	287224	368721	454108	277915	364753	481951	469443	290126	267486	334026	259053	700238	248658	315116	273169	281541	266394	291492	324537	223938	426789	286996	331472	260687	527661	337655	355349	196790	5271	951	522	234905	235183	1028	309061	258855	338284	343396	272616	799	373542	329195	209895	326844	235023	227119	309992	209263	371653	307877	166735	287878	208577	424589	552222	754778	886634	223090	230955	279089	322270	280860	503	231291	426806	197922	322482	170566	255453	306922	409000	246633	417937	198999	227935	355127	308745	323257	358607	187745	235462	1930	340203	341226	274780	399815	376823	362649	221589	347750	168766	283263	332109	1512	305801	336762	Phytochemical	0.2857143	1.2857143	0.0
26	C28 H36 O8	501.2483	501.249	0.099121004	501.24835	147788	155744	155242	151849	191833	104496	68334	144493	194521	222908	180945	74324	235513	104808	126204	146890	82629	193160	240319	318875	295135	142920	108561	162145	115791	419425	59792	184494	130404	126299	112016	120820	147848	100010	309518	141039	175952	105131	84431	199529	152015	83159	0	0	0	143295	104036	0	118458	119406	158243	151869	136501	0	223669	204168	90317	138927	113754	63705	141023	125733	208981	159392	65171	172085	119025	94592	392995	527063	478092	110026	101553	112542	77052	107736	0	92978	178226	96098	125710	86305	106003	144933	225671	123417	163315	88460	98824	89574	135647	160096	180175	97653	144385	0	159093	163094	121968	221291	215031	153115	76713	163185	94558	109677	154996	0	101356	198287	Phytochemical	0.2857143	1.2857143	0.0
22	C28 H36 O8	501.2483	501.24896	0.11372501	501.24835	534130	546998	484766	513475	619483	331450	285816	479567	560273	753462	609144	288202	496434	321714	390876	506423	358622	497685	616971	957139	903957	457418	446457	491487	380288	1354237	280203	575872	437006	375998	381247	437873	505247	352609	929612	410118	506237	366842	364778	598928	513581	295534	11653	0	0	405909	347586	0	423479	394193	544094	525504	443842	1318	660615	511074	299643	500696	361940	277639	485327	398711	613708	519920	257574	486715	319076	389824	1022683	1529659	1516898	343930	333934	354825	320700	384995	738	324678	607295	265934	465127	278044	351639	432101	676259	379124	556092	294388	336351	403929	473981	530285	555926	312481	425152	4034	478747	496843	442906	604149	569891	519740	302932	514789	268514	402865	524351	0	376068	607431	Phytochemical	0.2857143	1.2857143	0.0
12	C22 H36 O9 N4	501.2555	501.25568	0.17861485	501.25558	0	0	0	1669	996	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1827	23851	0	2212	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1192	0	0	0	0	0	0	0	812	0	0	0	0	136051	80850	0	0	0	0	0	0	0	0	0	0	0	0	0	0	941	0	0	0	Peptide	0.4090909	1.6363636	0.18181819
6	C22 H36 O9 N4	501.2555	501.25632	0.24389216	501.2556	6078	5911	6384	7284	0	17038	0	0	0	1895	6259	569	793	0	1046	1470	0	955	0	0	0	1608	0	756	874	0	0	120368	1176	618	951	0	1650	0	710	0	0	611	0	0	0	0	0	0	0	0	0	0	0	0	5930	6441	0	0	0	0	0	1308	0	0	0	0	0	0	0	0	461	0	0	0	0	607	0	0	0	0	0	0	0	47828	0	0	0	0	0	0	0	520	0	0	612675	358040	0	15601	3161	0	6516	4948	0	435	0	0	0	0	0	0	1019	0	847	1338	Peptide	0.4090909	1.6363636	0.18181819
10	C22 H36 O9 N4	501.2555	501.25626	0.14624898	501.25558	5175	4071	2752	3045	0	982	0	0	0	1182	2613	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33301	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3535	3479	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	589581	346821	0	3645	0	0	3585	4029	0	0	0	1086	0	0	0	0	0	0	0	0	Peptide	0.4090909	1.6363636	0.18181819
4	C22 H36 O9 N4	501.2555	501.2564	0.27510753	501.25565	617	450	0	426	0	331	0	0	351	0	0	0	343	0	0	0	0	355	0	0	0	601	404	0	329	0	0	3385	0	0	0	0	379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	278	0	0	511	0	0	0	0	0	0	0	0	249	0	0	0	0	0	0	0	0	292	0	0	0	6649	0	0	0	0	454	0	0	0	0	0	24695	6328	960	0	0	0	506	544	0	287	0	0	0	0	0	375	0	0	0	665	Peptide	0.4090909	1.6363636	0.18181819
8	C22 H36 O9 N4	501.2555	501.25626	0.22018039	501.2556	12968	10598	14464	13076	0	4815	0	1231	0	2265	10718	0	0	0	0	0	0	0	0	0	0	1630	929	0	1244	0	0	153039	0	0	0	0	1447	0	0	1042	0	0	0	0	0	0	0	0	0	0	0	0	1559	0	13269	11929	0	0	0	0	0	1438	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	584	0	44611	0	0	0	0	0	0	0	0	0	0	1335435	844959	1885	20212	6539	0	13368	9436	0	0	0	0	622	0	0	0	0	0	0	0	Peptide	0.4090909	1.6363636	0.18181819
2	C29 H40 O5 S1	501.26694	501.26724	-0.34745595	501.26675	0	0	700	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9231	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33995	0	0	0	0	0	0	0	0	0	0	6080	2716	0	914	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1724138	1.3793104	0.0
16	C29 H40 O7	501.28467	501.2855	0.22984974	501.2848	3934	2448	4312	3883	4535	1566	13250	3816	3813	2209	4034	5686	0	3332	4831	6422	19501	2649	4550	0	3571	3132	2914	5621	6262	2314	8967	0	4022	4581	3627	10671	3875	3252	2396	5006	3135	5963	23000	0	1576	3388	0	0	0	2077	0	0	7078	6459	3300	3208	2283	0	6715	4903	4055	8951	4248	6695	0	1096	3699	2494	3948	1766	1984	27610	0	0	6155	1679	1898	9215	14029	5428	0	4876	14338	0	11008	2019	6683	1345	11660	5658	8573	1222	3460	0	3581	4479	0	0	2679	0	5773	4879	6200	11782	14267	9992	3767	5669	0	0	12189	0	10120	2211	Lipid	0.2413793	1.3793104	0.0
22	C29 H40 O7	501.28467	501.28534	0.050078355	501.2847	262498	257152	245061	239094	333450	158756	221899	222313	281962	200379	222846	176591	216857	183866	215526	313756	360512	239187	327697	245020	258098	189044	208068	227417	191530	356783	235511	224040	228768	212441	190654	248262	294335	163714	224853	232989	259658	208946	375912	170612	229415	167429	7640	0	0	158361	182454	0	224005	212337	241330	256863	255878	715	360375	296225	190044	286239	154900	189244	255636	118463	286732	269431	160277	235931	193068	399720	287431	343311	456067	130964	151819	198247	266338	226420	0	167856	359527	169968	256167	127058	198096	159553	454069	253122	367207	167346	197464	330002	232408	248170	263268	160908	190375	0	237350	263138	248858	457327	413279	320249	175987	242584	120128	227765	351014	0	227503	247947	Lipid	0.2413793	1.3793104	0.0
20	C29 H40 O7	501.28467	501.2853	0.001412989	501.28467	106449	108993	102726	100535	123085	66283	100060	98941	109752	55850	65996	85623	85416	74218	93115	137434	181946	78689	130555	92242	79996	76074	80957	105562	82179	105467	120966	62738	86711	102918	77046	88825	113129	54743	72844	96510	99177	91225	192475	53897	82850	65011	2162	0	0	39065	68047	0	95539	77746	90730	108659	101022	0	137287	123747	73538	113654	57973	88859	94583	44468	117043	104594	66465	93072	72339	205649	82354	89564	131477	52163	67016	97982	158920	91378	0	67121	171086	70068	107186	48078	92670	53721	184071	97806	155043	66218	68933	177374	101629	86464	116792	60315	67956	0	107634	105401	99467	182032	186693	138061	66304	90204	50921	103552	145129	0	106231	98724	Lipid	0.2413793	1.3793104	0.0
26	C29 H40 O7	501.28467	501.28537	0.090307616	501.28473	301590	279956	291196	271697	402367	172102	191963	287359	356677	288507	359678	155585	359262	207990	240771	299354	238941	313154	494585	480176	410230	260602	237056	301164	271849	662101	207043	393514	304472	284296	239483	273929	350652	199422	388971	328814	347595	214675	254889	335611	294234	201789	4360	0	0	236048	213024	0	260706	246096	306135	301830	302933	0	492455	417539	189437	284855	233222	167675	306424	207925	349581	320406	142208	280347	244707	267338	543758	617404	592039	192652	212973	282677	207022	252653	0	185432	337317	231646	239899	169375	247719	264264	500273	290090	357393	173003	210855	265817	282720	344041	325065	237735	252112	0	293866	328483	256210	509848	524231	394420	149003	339399	179238	226869	414919	0	226645	299312	Lipid	0.2413793	1.3793104	0.0
24	C29 H40 O7	501.28467	501.2853	0.08554957	501.28473	414041	430387	392477	384890	598098	265794	298848	334403	474632	408838	446023	234203	451068	284490	313195	432575	436292	400012	658295	555102	528847	300581	311818	385313	307822	827296	280299	452619	350698	340638	299318	359372	470102	274733	504204	377659	458784	284082	427999	411760	421781	238132	9390	0	0	293800	274594	0	359834	318523	415924	414147	432713	0	667662	489278	265506	436607	283640	251600	416170	263423	485617	474715	225499	410529	317323	476131	618494	798196	879088	240154	264499	309163	324361	326952	0	265031	522387	286337	376629	212543	309863	319224	708908	389585	503031	258747	335337	456067	389731	419796	439634	278238	339113	0	421745	418982	374667	628539	693099	517780	228879	416910	216381	349664	551043	0	309442	456051	Lipid	0.2413793	1.3793104	0.0
18	C29 H40 O7	501.28467	501.28537	0.037695505	501.2847	29106	37058	23405	32210	32890	10389	37060	24814	25216	10209	14300	26065	27533	22389	27647	44045	71605	12699	34505	13418	14609	13799	30426	31045	24918	23179	47554	15488	26969	30126	23851	31461	26208	14503	11588	29437	26615	36701	82625	9853	17390	12297	0	0	0	8422	13718	0	34529	25309	33503	31877	27846	0	35206	40605	27175	40556	14294	29578	29187	4435	28540	27635	20481	24473	18834	78903	16639	13934	29396	10371	12257	30703	55427	28917	0	20940	55412	17259	37394	16655	23259	8740	53121	28744	53477	12434	17371	69236	27752	35216	37598	15980	13238	0	42388	31638	29245	63972	63604	42037	18795	25969	9573	26889	36149	0	38132	20990	Lipid	0.2413793	1.3793104	0.0
16	C22 H44 O12	501.29056	501.2913	0.1038017	501.29062	33425	35798	37253	37456	34611	30936	35683	27667	27996	25621	37042	35236	15753	36480	27130	26437	18056	17189	18939	14391	13730	29118	19225	18600	25217	18427	36570	29362	15578	24449	29011	33619	27381	20655	16975	23152	31670	33964	26563	34575	25469	25740	61624	78374	50938	23902	23770	76897	29293	21905	30538	36497	32830	45305	17722	25013	38938	25262	100478	39461	26416	36674	33496	32013	35975	34369	34006	28151	22078	24654	34013	38166	34793	27247	13109	32413	51264	30135	27175	20213	30582	43080	28981	34704	26564	24025	28251	43517	37649	31319	28178	27499	0	36656	19243	71659	33309	24971	49815	37221	22145	15314	35157	28158	497831	25866	21141	74147	30899	27107	Lipid	0.54545456	2.0	0.0
6	C30 H44 O4 S1	501.3033	501.30396	-0.048907664	501.30328	0	0	0	0	0	922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40046	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36052	0	0	0	0	0	0	0	0	0	0	32485	14961	0	772	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.13333334	1.4666667	0.0
8	C30 H44 O4 S1	501.3033	501.3036	-0.14886813	501.30322	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43525	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46657	0	0	0	0	0	0	0	0	0	0	37819	17793	0	2285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.13333334	1.4666667	0.0
20	C30 H44 O6	501.32108	501.32172	0.0962396	501.3211	8529	8962	9714	8064	15647	4164	18364	3830	11445	0	0	7025	8891	13624	7064	9709	35642	4199	12712	0	0	2220	4162	4756	9736	0	16968	3093	5158	5865	4414	7702	8947	4356	0	6226	9485	7334	33002	0	1970	5932	0	0	0	0	3613	0	7459	4703	6870	8846	9849	0	8704	18539	9280	10967	2201	9044	4776	0	5609	6489	10588	3371	8588	38748	0	1913	0	2078	2873	10091	20542	8093	0	4763	15968	8754	8672	1996	5918	0	23510	14469	18227	4092	5713	32670	14071	6396	11182	2906	2919	0	9162	2264	12940	33477	31693	10610	5185	4295	1858	8371	18767	0	13696	7076	Lipid	0.2	1.4666667	0.0
22	C30 H44 O6	501.32108	501.3217	-0.02138354	501.32104	54330	54306	47462	50588	67778	27021	62862	39821	53073	8938	15000	35057	33670	51964	41958	59396	116383	34981	61718	10032	8567	38889	38825	28313	46825	18457	64903	17106	42602	42655	30616	40915	55137	23131	7798	50403	46429	45525	115997	10146	25607	31242	0	0	0	17004	34213	0	46804	40916	50436	47351	58586	0	61610	69270	44348	60587	22660	39513	54392	7515	41787	41126	41062	46324	48948	136981	9809	10421	20542	9634	19465	38052	77308	44309	0	34802	64876	43546	44525	15371	36344	15653	118248	73356	89342	31197	35055	145704	54245	52301	67987	29580	39083	0	44773	45703	53287	118065	132890	72319	33645	38076	14760	42047	85766	0	58921	32066	Lipid	0.2	1.4666667	0.0
26	C30 H44 O6	501.32108	501.32175	0.026162267	501.32108	168312	159371	163701	150455	259945	99142	173120	152402	215790	66007	129622	100850	145979	144040	149614	197031	228794	150714	291910	130925	103304	123154	123234	123680	201314	166780	186243	150957	177868	185424	137148	179899	206409	105477	92285	212723	183009	145315	236866	104365	121321	131938	0	0	0	104509	106916	0	155104	154786	163428	156730	201346	0	306289	266200	138446	185763	132018	120488	162678	83128	160243	187042	104072	146575	178082	256180	123347	111565	124018	79128	105073	186149	152331	156546	0	111404	218045	218053	155737	96263	171332	124417	419152	239445	267826	110051	138268	215580	182452	185858	185011	176361	142168	0	162397	174230	183291	399755	432034	291786	101183	205262	106219	133726	331518	0	179965	125875	Lipid	0.2	1.4666667	0.0
16	C23 H48 O11	501.32693	501.32773	0.12738474	501.327	9047	8390	10660	7962	2847	0	0	8120	0	49789	37497	0	4450	0	0	4233	1482	0	0	1877	0	6523	0	1471	0	0	0	18450	0	0	0	3402	3779	4147	26566	0	4001	0	4683	19950	12933	0	459	0	0	7959	12610	0	8647	1483	9323	12146	3701	7584	0	0	1771	7318	122719	6310	0	17528	5707	0	0	5965	0	3825	0	3974	5674	6252	4199	2620	2970	0	0	0	0	12662	0	0	0	0	0	0	0	4719	0	0	584984	373865	0	8263	5284	0	8694	5924	1455	0	0	4210	0	15717	425333	0	0	0	0	3074	Lipid	0.47826087	2.0869565	0.0
14	C24 H44 O7 N4	501.32828	501.32886	0.18105172	501.32837	2268	3907	2569	1871	0	2891	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	89253	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3303	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56411	0	0	0	0	0	0	0	0	0	0	389293	230973	0	5587	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.8333334	0.16666667
12	C24 H44 O7 N4	501.32828	501.32895	0.11656468	501.32834	0	0	0	0	0	2333	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20092	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50860	0	0	0	0	0	0	0	0	0	0	146085	138222	0	4801	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.8333334	0.16666667
28	C31 H48 O5	501.35745	501.35803	-0.017253798	501.35745	7138	5519	6764	7048	7862	3307	30559	6101	14156	0	3225	2580	2741	4162	5311	6736	5801	2816	13993	0	0	1235	3931	0	20528	0	21118	5332	8625	10231	4634	8202	9034	4188	0	14430	6595	9343	8463	2095	1804	4760	0	0	0	2327	0	0	4658	6668	7543	6592	6546	0	17636	15219	7709	8456	6683	2116	6775	2408	2738	9045	8248	4895	9422	10428	0	0	0	1184	1528	14052	2484	6687	0	6404	16774	11791	4666	3952	9744	5767	39489	17941	37852	3054	4660	20439	12524	12667	13367	5013	0	0	8822	5550	12041	31650	38813	14411	3313	4708	6299	6647	34521	0	14661	1486	Lipid	0.16129032	1.548387	0.0
26	C31 H48 O5	501.35745	501.358	-0.04761678	501.35742	11793	8383	12074	8944	8569	5417	35260	9447	12741	0	3227	6003	0	12673	16409	13190	16608	5375	18281	0	0	2370	7835	0	23665	0	32560	8397	11584	16194	11149	9662	15254	4447	0	18809	14624	15747	21032	0	0	7739	0	0	0	0	0	0	9140	13145	12747	9834	8702	0	22063	15412	13788	10180	7944	5971	9754	0	2399	7385	15955	4080	11565	27345	0	0	0	0	2735	15053	8103	12780	0	8393	26018	11979	9993	6589	16622	6040	43127	32781	33824	4816	8944	50856	10522	13629	23044	4421	0	0	8899	13189	14592	31999	33715	16621	8752	7200	7011	6745	28271	0	17979	3892	Lipid	0.16129032	1.548387	0.0
28	C22 H15 O13 N1	502.0616	502.06232	0.20972504	502.0617	4222	4776	4761	6631	9305	1882	1015	0	10193	3688	0	1347	19394	2464	2190	0	0	13200	10760	0	4474	13179	3734	2257	0	0	876	0	0	0	1261	0	1706	0	3522	0	1611	2077	0	2188	4617	0	0	0	0	5256	8170	0	0	0	4528	3629	5167	0	11492	8773	2673	1428	0	1110	2074	2599	21079	11175	2726	9567	2288	1199	0	0	993	0	0	0	0	0	0	1123	5510	6692	4503	1528	0	0	10648	4433	4417	2358	2453	3128	0	1467	2482	12381	11797	0	3092	4297	4120	9668	8189	0	1052	0	4568	2399	5709	0	0	18726	Phytochemical	0.59090906	0.6818182	0.045454547
24	C23 H19 O12 N1	502.098	502.0986	0.13934997	502.09808	3250	5363	6035	6801	9642	5066	1816	1351	8821	17571	2239	876	22931	2120	2420	0	0	15148	16377	10577	12257	21645	4163	0	0	0	1190	1282	0	0	1340	0	1497	0	22076	0	3403	2691	0	5901	6416	2276	0	0	0	11185	24470	0	1308	0	4292	4017	6140	0	17619	12232	1968	2264	0	1037	1136	7146	19215	11466	4623	13532	3813	0	1717	2259	1449	0	0	0	0	0	0	1015	5378	15721	5326	9970	2267	2700	14938	5166	5928	2872	3291	2431	0	2824	1449	29009	31891	0	11035	4551	5207	11465	13640	2094	1536	1316	11496	3300	6164	0	2285	24030	Phytochemical	0.5217391	0.82608694	0.04347826
26	C23 H19 O12 N1	502.098	502.0987	0.105735704	502.09805	6940	4851	4675	4473	7449	6712	0	0	8634	14517	2243	0	13385	2220	0	0	0	15267	10737	8619	9683	19591	0	0	0	0	0	2241	0	0	0	0	1700	0	16695	0	4456	0	0	4004	4038	0	0	0	0	9065	16357	0	0	0	5626	3972	5756	0	16178	5886	0	0	0	0	0	4575	19892	10806	0	6894	0	0	0	3325	5410	0	0	0	0	0	0	0	3771	9266	0	8750	0	3254	13797	0	5018	0	4071	1781	1445	2966	0	20457	34545	0	5718	0	4722	5245	6120	0	0	0	9894	1445	4879	0	0	17232	Phytochemical	0.5217391	0.82608694	0.04347826
22	C23 H19 O12 N1	502.098	502.09866	0.031033097	502.09802	10338	11055	9122	7203	17735	6449	3332	2974	18360	21794	7944	6731	27831	0	5514	11174	1650	24409	15878	14051	24862	38434	10277	1457	4844	2710	2489	3084	2681	7598	5204	4257	3422	4410	24330	4872	3395	5199	1851	9937	10772	3391	0	0	0	19065	35814	0	2646	4880	10025	6687	8670	399	23381	13896	8075	2917	1769	3343	6981	10970	34012	17112	7033	18058	6086	0	4125	6202	7837	2264	5438	13932	6533	8429	283	5619	10274	26769	6017	18619	3775	7011	24514	8586	6440	6348	6138	2518	3772	0	6281	39093	52837	0	11232	8184	13549	19319	12899	5584	4656	3137	22083	5354	12218	0	2175	28207	Phytochemical	0.5217391	0.82608694	0.04347826
18	C23 H19 O12 N1	502.098	502.0988	0.20651653	502.0981	18169	17322	16328	15578	23973	13063	2145	3075	29935	49143	21887	5773	52980	9296	5033	4930	3970	25950	29585	37545	49003	71378	9242	5398	2322	5872	6029	8930	0	0	3501	0	4035	0	67343	1884	5860	3760	0	26907	26659	8839	687	0	0	27637	50526	563	0	2272	19243	15433	16155	0	33752	24221	11362	3405	3104	5500	3157	20692	57911	29146	7904	28550	11239	1588	8232	9061	7588	0	1423	0	1966	0	0	2161	15688	43186	8662	32037	1672	15185	28866	15592	8658	10547	11268	7288	5944	12031	8314	65515	75829	0	19390	13454	17068	26673	21356	5005	3643	4770	32422	3293	20608	0	3286	49426	Phytochemical	0.5217391	0.82608694	0.04347826
28	C23 H19 O12 N1	502.098	502.09863	0.12539777	502.09805	4417	4920	5427	5303	6733	6144	1182	0	9856	17033	2921	0	12616	3348	0	0	0	11416	11984	8237	13251	18617	2338	2393	0	0	1670	0	0	0	0	865	3218	0	16492	0	2045	1891	1125	4963	6347	0	1258	0	0	9382	14648	0	1775	0	5668	4235	5492	0	13175	6840	2025	1418	0	0	2486	5296	16347	9989	3349	8194	3469	904	3327	3999	4539	0	0	0	0	0	0	0	6441	10698	4711	7111	0	3301	8136	3334	3658	2218	3077	1255	975	3919	4265	19393	26899	0	6736	4942	4782	4571	5664	0	0	0	7357	2817	4216	0	1486	17814	Phytochemical	0.5217391	0.82608694	0.04347826
14	C23 H19 O12 N1	502.098	502.09882	0.1852421	502.09808	12114	9738	8667	8905	9754	4752	0	0	19416	39787	20336	0	23494	6159	0	0	0	11988	10493	15634	34463	42976	3724	0	0	4712	2062	0	0	0	0	0	3697	0	56487	0	1583	3287	1267	14855	32168	1426	0	0	0	19096	46698	0	0	0	6962	8342	6609	0	22977	18764	7146	0	0	0	0	17483	37353	19131	4051	15423	4098	0	14989	5900	9973	0	0	0	0	0	0	979	8613	21787	4471	18144	2265	4157	22100	7896	5609	3081	4410	4815	0	2998	3378	61730	42251	0	9817	5815	15410	19617	17294	0	0	0	16895	2547	16254	0	1081	26168	Phytochemical	0.5217391	0.82608694	0.04347826
16	C23 H19 O12 N1	502.098	502.09882	0.17011133	502.09808	14668	14583	12173	9893	17047	8460	2248	0	19864	50430	25092	3858	40202	7749	3745	3721	1602	20295	24253	24575	42585	55512	6898	2737	3418	7469	2542	5329	2344	1629	0	0	4065	1309	72144	0	2246	4672	1712	22309	28811	4903	0	0	0	28832	46981	0	1497	1556	14457	20654	14900	0	29230	23209	7185	5581	1794	1666	0	19311	47052	22680	7008	30710	8197	1882	9155	7372	16319	0	0	0	2677	0	0	0	10529	45159	5928	29686	2721	8126	24308	13267	9278	5240	4277	0	6606	8624	0	66835	63508	0	16885	17778	18993	23612	26672	4734	1276	4070	24240	0	17375	0	4650	37754	Phytochemical	0.5217391	0.82608694	0.04347826
20	C23 H19 O12 N1	502.098	502.09875	0.19299793	502.09808	10199	12606	13635	11956	20439	11468	2942	2297	24686	40484	10583	1749	47600	7350	6370	0	1874	24751	21495	28066	38699	61632	5928	3047	2364	3933	3357	4829	2505	0	0	0	5817	1353	50991	1514	2569	3055	1490	15922	23812	5131	970	0	0	31161	42927	0	1669	1677	15047	15425	12344	329	25104	23535	7440	2631	3840	4461	4938	21319	40862	28491	9138	24676	8105	1698	6766	6255	7774	2597	0	0	1390	1518	308	1650	10961	32350	7359	29144	2905	0	26396	13431	8260	8739	8500	4747	3875	8355	6379	68540	63739	0	14333	17226	18570	31392	21579	3970	2032	2285	29673	6541	15883	0	4598	44699	Phytochemical	0.5217391	0.82608694	0.04347826
20	C19 H23 O11 N3 S1	502.1126	502.1136	0.7619565	502.11298	13172	10684	12032	13210	21647	21725	0	3611	27695	8658	15815	7120	38514	7427	8205	4625	6240	36686	23916	10162	29944	21092	9680	4152	2262	9598	2032	6116	3931	2639	5629	2481	6714	2373	14670	2007	7158	4161	4031	8212	18091	10382	958	0	342	62403	172877	624	2489	5987	11617	11768	18873	0	26342	19240	11764	2192	8405	5453	3229	22731	23819	17740	10610	10658	12338	2272	21306	13345	10734	0	5874	5156	4055	4069	394	7219	5126	27711	6707	68689	2183	0	32860	8946	3476	10144	11083	0	3767	9290	7349	24064	11046	0	10734	14871	28686	13663	16961	7736	6745	5298	127211	6485	29083	0	1702	36173	Peptide	0.57894737	1.2105263	0.15789473
28	C20 H23 O14 N1	502.11914	502.11984	0.13432764	502.1192	6720	7346	9105	7853	9170	10384	0	2137	10435	9139	5259	3417	9027	1959	0	0	0	14644	8713	13812	25247	9319	4067	0	0	0	0	0	0	0	2299	1515	2183	1495	9770	0	1879	1613	1261	7014	12488	3578	0	0	0	42056	91447	0	1206	0	7484	7020	6258	0	6503	3964	2669	1244	2072	2700	0	14001	8467	5088	2406	5272	4371	1794	9932	4085	11209	1202	1376	4452	2738	1053	0	2472	842	9688	2029	36287	0	0	6825	2263	0	2353	4186	1062	1225	1990	3256	10413	6324	0	7359	7804	11595	2733	2180	2291	3682	2667	63434	2433	6800	0	0	14523	Phytochemical	0.7	1.15	0.05
12	C20 H23 O14 N1	502.11914	502.12003	0.21279655	502.11923	24949	14681	23037	21992	45548	25661	7770	9654	51334	15115	23935	20407	83615	8814	16162	5730	18416	67142	55604	22241	59884	45420	29757	6868	2548	2256	3835	0	8714	6928	7493	7108	17835	7519	27278	5949	13174	9151	12672	8332	33840	24525	598	0	0	44319	145413	0	6394	11296	21794	16793	27953	0	75565	62092	20355	10821	8433	26747	0	27730	87506	58495	20420	48616	21929	16895	0	2031	7606	9774	8522	6059	7858	4755	0	12809	17736	34018	18072	38585	3398	2486	63161	23416	13562	17782	21480	12535	0	9950	18707	65669	27145	0	23141	32559	64760	45654	59939	19108	16713	6950	120855	10748	54319	0	2669	81805	Phytochemical	0.7	1.15	0.05
14	C20 H23 O14 N1	502.11914	502.12	0.18049294	502.11923	31731	33349	21687	27514	51925	35206	7626	12900	73726	17225	24591	18406	131091	16906	28344	10229	22481	83281	82292	31264	64070	48221	37100	14033	4480	2818	4769	0	7867	12805	9047	0	17161	6548	30642	8913	12545	17712	12005	16367	42711	37553	0	0	0	71392	218016	0	6236	10479	34988	32125	36823	0	91408	71681	27446	9400	22655	17461	0	34849	103644	75858	32201	59433	31755	12094	16255	4904	10568	8631	6684	8296	15187	7240	0	12962	25175	64605	18419	68135	3454	4544	78100	34225	12422	29051	28364	9290	4782	7372	23268	71138	37147	0	24829	36098	69215	54180	64460	23181	18447	13625	178963	15129	67076	0	6496	83540	Phytochemical	0.7	1.15	0.05
26	C20 H23 O14 N1	502.11914	502.1199	0.012070986	502.11914	7132	5115	5048	5244	8453	7860	0	0	8643	6393	2743	3162	7037	2825	0	0	0	12492	8650	7636	21193	6754	0	0	0	0	0	0	0	0	0	0	2642	0	6158	0	2208	0	0	7417	12065	0	0	0	0	35986	91558	0	0	0	4804	0	5339	0	5288	0	0	0	2447	0	0	17335	6972	3682	2509	4600	3669	0	0	3570	7242	0	0	0	0	0	0	0	0	7546	0	32733	0	0	0	0	0	0	0	0	0	0	0	7091	0	0	3734	0	10615	3111	0	0	0	0	70475	0	6825	0	0	11409	Phytochemical	0.7	1.15	0.05
24	C20 H23 O14 N1	502.11914	502.11996	0.21161851	502.11923	4777	3547	8872	4525	6683	8325	0	0	10015	4154	5492	2738	6571	1428	3498	0	2863	12532	3978	3453	15387	6171	3883	1338	0	0	0	0	1343	1141	1196	0	1928	1089	3709	1977	1321	0	0	2942	9605	2315	0	0	0	34076	99327	0	1983	0	6020	4858	4851	0	6356	5284	2419	0	3790	0	0	15296	5950	7399	2953	4082	5395	0	6405	0	5626	1663	1291	2636	2802	0	0	3119	1639	8377	1360	41318	0	1502	7469	0	0	2214	2374	0	0	0	0	7504	0	0	5837	7353	11388	3512	0	3262	1813	2049	62051	0	5655	0	916	12359	Phytochemical	0.7	1.15	0.05
10	C20 H23 O14 N1	502.11914	502.12003	0.23269786	502.11926	16353	12003	11277	11786	22561	10901	4585	8490	26972	10907	14535	8518	52810	4739	7570	7825	12461	36926	31577	13358	25073	27970	16283	7726	1237	0	1930	0	4067	4813	3616	3024	7720	4206	12678	5373	7804	6587	6947	6153	20498	12121	0	0	0	22059	64775	0	3409	6127	12111	12917	10792	0	37694	36464	12630	3863	2829	9612	0	11670	48175	32095	15726	24883	9652	9156	0	0	5009	4397	4032	1679	7015	1979	0	5390	10165	14808	8572	16931	2492	1447	35771	12267	7348	13602	10466	10329	0	7691	9147	28641	23130	0	16808	21995	33637	33210	36005	9961	7047	7243	44977	5739	34903	0	2917	41931	Phytochemical	0.7	1.15	0.05
22	C24 H23 O11 N1	502.1344	502.1351	0.13731894	502.13446	21359	16098	12473	14732	18555	13190	4374	0	25492	68513	26806	3897	31476	7659	6324	3139	2023	40491	19452	35267	48476	47768	8547	4562	4041	20310	2541	16029	4275	1727	0	0	2720	2224	75959	2720	8291	4265	1999	28442	25565	4568	0	0	0	46455	48927	0	1309	1786	17223	15092	13391	0	22307	21044	8229	4621	6580	3472	6108	24779	36419	15639	7313	18242	5142	1780	21333	36604	29153	2902	1468	0	1101	1815	0	3119	8440	32850	6072	32444	2622	18323	25202	12500	10575	8326	7545	1549	9283	15214	7903	55660	82841	0	15046	18202	15310	13380	17510	6374	0	5407	35866	4609	14611	0	3435	37150	Phytochemical	0.45833334	0.9583333	0.041666668
20	C24 H23 O11 N1	502.1344	502.13507	0.11095693	502.13443	30536	24085	33784	25233	32232	24379	5323	7126	37966	122292	47193	4628	52886	18485	9787	10169	4450	43469	41737	74995	84325	87365	17394	8841	12528	40221	3322	35697	10014	2761	4967	5221	13798	5924	135520	3720	12189	8892	2088	63711	41362	8072	853	0	0	67108	79435	0	6133	2508	29460	26195	19908	345	39342	32916	10092	12687	9983	5931	8301	48726	55524	34320	14754	37182	15801	5168	41353	53745	50383	5367	3087	0	2646	2136	0	5077	17483	55770	12332	43494	10381	45346	37694	19158	20629	12856	14797	6752	14770	27811	15129	75742	113806	0	26425	24145	30016	29308	33028	9838	7073	9425	56211	11689	25450	0	9174	58060	Phytochemical	0.45833334	0.9583333	0.041666668
26	C24 H23 O11 N1	502.1344	502.13513	0.107916616	502.13443	5363	3880	4668	2380	4703	3125	0	0	6376	25206	3214	0	8141	2169	0	0	0	7184	8958	9770	12857	14730	0	0	0	6095	0	3122	0	0	0	0	0	0	25005	0	0	0	0	11648	5983	0	0	0	0	10448	20568	0	0	0	3751	4392	4002	0	4495	5755	0	0	0	0	0	6030	14413	7557	0	7670	2683	0	0	10312	11039	0	0	0	0	0	0	0	3368	7131	3365	8722	0	6000	7039	0	2424	0	0	0	0	2242	0	12568	27615	0	6233	0	4183	5412	0	0	0	0	10928	1747	0	0	0	9640	Phytochemical	0.45833334	0.9583333	0.041666668
16	C24 H23 O11 N1	502.1344	502.13522	0.20652804	502.1345	34461	29626	38750	42973	29845	22956	10259	9643	41569	154003	69296	5257	60526	19805	12129	19378	12611	52663	46595	109026	100090	102508	15862	15861	8686	58922	8476	30980	9109	7098	7525	4747	13609	7660	232320	5729	15144	8016	8352	77906	70353	14630	828	0	0	65750	75353	0	13823	7298	34451	41002	23665	0	54271	35459	12706	14596	20815	11492	11278	58470	62886	36666	11836	45864	23536	9569	50649	75352	74077	7034	5176	4961	2893	7663	285	5059	28014	75914	9652	55990	10428	43888	35472	21534	17551	13810	15829	0	24438	37221	0	84221	136454	0	33149	42864	29705	34913	30160	14492	9619	15285	61315	15161	27177	0	10938	53931	Phytochemical	0.45833334	0.9583333	0.041666668
18	C24 H23 O11 N1	502.1344	502.13513	0.1509669	502.13446	44789	37668	42615	44008	39275	24183	8746	11912	44804	159132	71446	7717	67784	21417	12103	18729	11151	58864	52860	106955	121758	110032	16315	16094	7860	51605	5986	41353	7892	8723	7472	3505	11977	8252	193053	4359	16291	10620	6447	86843	62075	14432	1335	0	0	82462	85083	0	13380	7639	36109	43248	27287	0	61831	41521	19160	13694	13081	8834	17522	56611	86657	46546	18417	42639	23685	6705	57338	68792	68570	8925	3590	3563	6113	5862	0	6921	27129	82655	21192	62151	11887	51481	49489	27051	19114	13332	17285	13636	24518	31127	28887	91180	136549	0	44263	40988	36011	40749	36587	14552	8361	14054	61372	11315	31458	0	10159	61983	Phytochemical	0.45833334	0.9583333	0.041666668
24	C24 H23 O11 N1	502.1344	502.135	0.060926665	502.13443	5968	9211	5799	4913	11459	5338	0	0	13205	31677	13732	2122	22778	3459	3761	1934	0	14285	9754	17371	17379	21296	2620	3799	2229	8038	0	4168	0	0	0	0	2747	2037	45699	0	3436	3551	1815	14950	7691	2233	0	0	0	22121	26817	0	1876	0	7338	6485	7066	0	17255	9207	3778	3755	2097	1265	2307	9872	19201	11124	2429	9801	4915	0	11371	19986	14489	1187	1560	0	0	0	0	0	5853	15586	6087	14213	1244	6736	11992	6823	5268	2285	2062	3619	3809	5703	0	26386	39291	0	7459	7763	6878	5317	10774	1209	863	2943	14121	4357	7521	0	2494	20807	Phytochemical	0.45833334	0.9583333	0.041666668
12	C24 H23 O11 N1	502.1344	502.13525	0.20643102	502.1345	13972	18586	8958	17904	16429	9406	3956	2332	17305	71147	33499	2701	23989	6258	3563	4729	4282	15868	17862	39962	50786	49018	10107	5385	3570	22822	5066	25925	4456	2623	3166	4162	6344	3208	101100	1874	4529	7292	7633	26382	42420	6313	0	0	0	26845	39081	0	4826	2810	14727	9157	6719	0	18320	15017	4232	4414	5253	0	0	27445	33544	17212	4206	20909	8926	0	32440	35731	48109	4207	3977	1934	3952	3115	0	3262	7447	18519	6924	25808	1892	15307	13668	6433	12450	4921	5888	12523	7311	14162	6644	40232	36748	0	14342	16194	14212	17913	14824	4029	3169	6390	25741	5594	12430	0	3737	24759	Phytochemical	0.45833334	0.9583333	0.041666668
8	C24 H23 O11 N1	502.1344	502.1353	0.14727056	502.13446	3955	4144	2953	2993	2596	2537	0	0	6141	17774	10096	722	7187	0	0	0	0	2565	3045	6505	12327	12041	1580	1043	0	2802	916	3249	0	896	0	0	1872	0	25833	0	967	0	1607	5796	9853	656	0	0	0	4656	9929	0	1181	0	3142	3477	0	0	4820	4786	1651	2250	1631	0	0	4238	5244	5846	0	3997	2054	0	9171	6250	10169	1188	0	1131	1255	1066	0	581	3284	5495	1092	4232	629	2666	5106	0	3107	1335	0	2182	0	0	1549	10728	13465	0	2804	3521	3638	7632	4462	0	1391	0	0	1563	0	0	1496	6321	Phytochemical	0.45833334	0.9583333	0.041666668
10	C24 H23 O11 N1	502.1344	502.13525	0.19131874	502.1345	7070	10687	6912	7188	9727	4441	1480	1584	9495	39659	15259	1250	13447	3366	1937	4264	2657	9577	9312	21247	30285	28574	4567	2824	1543	7909	3012	10292	1694	1200	2080	1866	2133	1888	51032	1632	2277	3308	3189	16553	22333	3064	0	0	0	12532	23712	0	2293	2430	6551	9148	5577	0	10095	7595	3246	3223	0	4500	0	12444	11091	9724	2280	10109	3159	3261	21300	15412	24969	2033	1109	1247	1966	1422	0	1518	5520	9821	5586	10002	1304	7248	8463	2324	4974	2597	1985	5056	0	4173	4232	26564	23146	0	5124	8117	7816	10719	8968	3613	1259	0	0	3217	8458	0	2330	17443	Phytochemical	0.45833334	0.9583333	0.041666668
16	C21 H27 O13 N1	502.15552	502.15628	0.12848005	502.15558	139696	130764	116940	129651	127192	125081	63838	140393	180935	165327	104170	82963	255070	59378	135433	112887	80999	285220	256262	254046	297142	197477	147877	123353	73674	68018	49273	64210	126118	108753	105364	93715	107556	85258	230204	118629	114881	89606	56483	164768	137063	105750	5497	424	470	544917	643100	598	90506	127141	129069	125323	103319	758	270362	134532	77691	77032	135881	60099	124353	171191	199352	152751	64293	135074	101979	63699	125118	116244	134177	112400	102310	136541	86139	91181	414	95382	92014	166849	65890	397731	58276	82216	167569	105492	70914	68924	90102	40495	55666	85359	152533	145425	200641	1462	143116	166581	141331	82403	107445	150948	83841	122267	498914	117269	154812	598	54837	221256	Phytochemical	0.61904764	1.2857143	0.04761905
10	C21 H27 O13 N1	502.15552	502.15637	0.15341799	502.15558	44088	40432	38224	36164	30064	26174	23651	46235	51225	59010	35768	33060	63485	10889	31684	45209	44100	63056	57874	71557	84915	62068	42320	45312	12608	13991	22976	15812	32195	40583	33311	31920	36483	27858	80241	38735	31702	25594	44011	45765	55032	31229	1318	0	0	95143	162566	0	31935	44724	43567	43490	28824	0	55353	35887	21251	27683	31676	39820	51504	42134	55276	44913	24629	40572	32204	40152	33441	22451	32034	33678	33306	37107	33462	27609	0	23148	35433	44198	32275	58431	17796	20066	53467	29005	29227	28973	26383	28684	12071	23956	50991	54084	72996	0	39565	52871	47415	34396	45368	49581	28477	49261	113138	30699	46783	0	17932	61517	Phytochemical	0.61904764	1.2857143	0.04761905
8	C21 H27 O13 N1	502.15552	502.1565	0.26310903	502.15564	16940	19128	13276	15545	12948	7220	8433	14981	16510	16814	11559	12865	26175	4492	11067	19477	19429	20058	22695	23566	30818	19526	15258	16869	4267	2925	7473	4628	11268	12038	9344	10893	13933	10572	20533	13231	9592	11371	16991	11454	22166	12069	0	0	0	33297	49624	0	10249	13922	13020	14833	11334	0	22722	17534	8190	10554	9060	14890	16632	9226	22727	17025	9713	13719	9165	19535	10945	5577	12096	10702	13318	13118	10936	11416	0	7694	14426	7465	13509	14113	6041	4900	20809	9523	10821	8345	10056	15764	0	6762	17030	21116	17561	0	12418	16867	16756	15199	23101	17161	9424	20951	22879	12491	17587	0	7017	20809	Phytochemical	0.61904764	1.2857143	0.04761905
28	C21 H27 O13 N1	502.15552	502.15622	0.13279694	502.15558	9438	7558	8982	8053	6743	8159	1877	5938	5654	24102	6558	3782	8143	3255	3864	3679	2618	10254	8504	32306	34636	8368	5825	6671	2024	5117	1726	3495	5596	3811	5133	3320	3637	4674	24714	6558	6077	2940	2501	15559	13959	2386	0	0	0	46747	64640	0	4337	4038	9062	9091	4697	0	7172	3761	3073	3103	4887	3191	2655	13351	6092	3406	2794	4107	4437	2699	11447	20864	18349	5856	4196	9591	5431	3469	0	4522	1766	6514	2093	32422	2568	7822	5122	4347	1514	1858	4359	2521	3706	7041	4881	4398	8726	0	8505	9061	5068	1966	0	3895	3196	6619	43019	3917	4380	0	0	8618	Phytochemical	0.61904764	1.2857143	0.04761905
26	C21 H27 O13 N1	502.15552	502.15616	0.0581217	502.15555	8535	6881	8095	6614	5490	10959	1689	5767	6812	23036	7030	3045	5161	0	0	0	0	9325	7782	18749	30860	7267	0	6253	0	0	0	0	5436	0	4218	4138	5028	4318	17945	0	3221	3213	3218	17037	11394	0	0	0	0	50371	75727	0	2947	6485	8097	8181	3407	0	7788	0	0	3290	4291	0	0	15978	4935	7529	0	6121	2386	0	8016	13983	10589	6823	4573	0	0	2381	0	4211	3395	0	3977	41328	3424	4531	8259	0	3381	0	3872	0	0	4649	4876	6650	11875	0	10715	11933	7306	2739	0	0	3604	6368	52585	0	6760	0	0	12500	Phytochemical	0.61904764	1.2857143	0.04761905
12	C21 H27 O13 N1	502.15552	502.15634	0.12009474	502.15558	74078	74541	69349	68557	65056	60136	53577	106320	104474	103008	85022	56573	129008	26979	84572	66192	67766	127628	133450	166114	178776	140300	95041	88666	33363	27749	32276	42817	85754	68497	68108	54834	76943	56064	167836	71938	56321	66333	56045	89876	116986	59935	2374	0	0	263629	428032	0	52587	80534	75235	72755	66335	0	150958	86347	49874	61711	100520	62177	60564	118918	121910	98686	40926	83702	58324	48748	94121	45487	70310	60810	52867	73159	59954	54111	0	62767	62483	110137	59709	179692	41602	39812	106015	65251	57270	39160	51649	40138	26938	49901	81338	125459	98882	417	77491	114067	111513	59662	69132	87761	59664	72428	420420	54860	102132	0	36034	118736	Phytochemical	0.61904764	1.2857143	0.04761905
18	C21 H27 O13 N1	502.15552	502.15625	0.10695115	502.15558	105837	92914	100160	91451	122934	97569	45462	102142	117852	115712	85420	51800	185627	49860	99272	64639	54843	185799	178925	210246	220267	130400	96546	77791	45533	56998	34206	36366	89583	68924	71539	67388	84526	64222	159790	83208	92287	63307	36533	139628	82303	76170	5492	837	534	459727	517587	527	70181	87347	96659	100695	77740	457	195188	91816	51783	51860	80807	43286	73563	142189	151874	105981	48648	94386	80116	34256	118402	90494	102852	82606	61239	93014	61828	64823	367	70814	52198	106414	57078	350363	44114	63748	118491	88415	47431	45453	60313	19559	33765	59386	95457	91951	130238	1040	101132	115815	112740	57577	70205	88860	56858	86871	384552	65541	107586	448	39408	144638	Phytochemical	0.61904764	1.2857143	0.04761905
16	C20 H27 O12 N3	502.16675	502.1682	0.62003267	502.16705	9110	6466	6487	7452	4532	3178	6153	7663	8928	15358	3403	2826	12528	2134	8092	5747	4613	10190	9821	13292	6829	18683	4572	8195	5745	0	3703	3009	9363	8489	11174	5765	14474	5983	22061	8784	16408	5354	5547	15141	6923	5170	0	0	0	28561	15095	0	8128	5625	6879	5972	3633	0	15713	3411	2515	10564	9069	4831	0	8237	12407	7938	3368	6094	7583	4312	0	6269	5108	8135	7175	6953	2200	5858	0	5033	4686	5915	5871	11740	3325	6379	1925	3792	5279	3224	6488	0	9800	7165	0	6681	6223	0	9640	7234	2913	1162	3106	7780	3529	5757	11116	0	3917	0	3958	4581	Peptide	0.6	1.35	0.15
26	C25 H27 O10 N1	502.17078	502.1715	0.13407001	502.17084	6117	6132	5405	8197	5055	4198	0	0	8852	26503	8404	0	14189	3331	0	0	0	9585	8070	14479	17378	10379	0	0	0	12733	0	4495	0	0	0	0	0	0	25624	0	3867	0	0	13383	9724	0	0	0	0	11522	14979	0	0	0	8400	6002	4882	0	6214	0	0	2365	2790	0	0	7576	9689	7675	0	5956	3085	0	17197	26586	26272	0	0	0	0	0	0	0	3939	0	3618	6223	0	5953	6691	0	2541	0	0	2417	2887	2997	0	11683	12376	0	6004	6539	4287	5278	0	0	0	0	6009	2053	4306	0	0	13214	Phytochemical	0.4	1.08	0.04
10	C25 H27 O10 N1	502.17078	502.1716	0.12888484	502.17084	12921	13052	9242	10760	8425	4106	5357	5243	10119	53176	23125	4779	15123	5562	4573	6860	3621	9546	10305	37712	48219	29560	6857	6519	5136	23509	2084	22562	3814	4622	4909	4203	6854	5979	61285	5346	8208	4303	4797	27070	28397	4844	0	0	0	23832	25893	0	8193	5555	11354	14795	6366	0	9415	7381	3740	5524	3807	5078	0	17003	11608	9802	3858	10446	6833	5626	23254	34567	34492	4460	4961	3027	4225	4906	0	4234	8980	12014	6818	14606	5485	14035	8247	4697	8066	4901	2855	6956	7104	10978	8839	22816	33126	0	12839	14127	6855	8207	6382	7433	3946	10005	0	5443	5644	0	7327	11475	Phytochemical	0.4	1.08	0.04
18	C25 H27 O10 N1	502.17078	502.17148	0.09365752	502.1708	66565	71606	59200	63607	55871	36799	21957	31459	57753	226435	118340	20665	70739	34548	28267	26823	21016	67261	72026	171077	160788	108756	29227	36157	28806	121803	18102	88697	29359	25099	24124	25994	30341	28199	262062	29822	34072	26786	26957	144766	96961	26299	1577	0	0	93705	77553	0	37762	26427	54176	57149	36577	0	60040	40351	25059	37406	34184	16528	36591	87217	73930	47713	23596	72897	36447	26131	103949	154835	156041	30785	22217	17369	16738	26740	0	19756	31585	65033	25711	73944	31057	93384	50339	33689	39803	30941	31638	37096	47225	60772	56955	73031	117608	0	65728	64513	42623	39152	43728	39255	19798	44160	48920	31793	38571	0	30457	80659	Phytochemical	0.4	1.08	0.04
22	C25 H27 O10 N1	502.17078	502.17145	0.09490646	502.1708	34858	26953	22968	29657	27554	22353	8383	13274	35501	124423	53270	8234	40596	15649	13986	13924	7440	46466	41337	79377	83408	53310	14560	17307	12362	76624	5459	49616	11309	7853	8714	14400	16602	8905	127436	7202	19560	11297	8783	60731	39932	13056	0	0	0	54840	52071	0	11659	8398	35690	30614	19539	0	38112	28552	14562	16828	12400	5792	14291	43367	41843	30377	10545	32736	17112	5818	63570	95051	92826	10574	9160	6416	8366	9308	259	8763	20805	34447	14746	40980	13862	41440	36481	16717	12822	13261	12486	12469	19393	22331	21351	50492	71654	0	28855	28724	25886	27730	24725	8693	7666	18773	50600	16480	25621	0	11060	56340	Phytochemical	0.4	1.08	0.04
20	C25 H27 O10 N1	502.17078	502.17148	0.11621326	502.17084	54445	49205	55070	49973	44201	35511	15554	27898	54390	211825	99704	15142	80648	30367	22967	34990	13034	68465	68724	145355	152950	92057	24619	33429	24918	113634	13283	69232	17324	15889	18575	20361	30059	24636	221127	16417	35439	17903	16823	119616	78854	22129	1479	0	0	100241	85503	0	17841	19252	55532	49211	40086	0	55337	45753	21576	24596	30208	15089	29846	77074	83004	46262	20407	49860	28987	13892	113645	167123	129222	18439	14639	13961	13209	16571	0	17682	33087	62447	28125	54736	21373	94047	46069	27108	37458	25360	20825	25406	44335	49945	44711	62830	106511	0	50261	54754	46013	40124	44559	32334	20057	33089	73975	29537	41548	0	23016	70883	Phytochemical	0.4	1.08	0.04
24	C25 H27 O10 N1	502.17078	502.17145	0.16366948	502.17087	11507	11579	10894	10306	13390	8245	3100	6013	19080	56200	25541	3133	15135	6553	4136	5344	2458	19881	16643	27530	36137	26595	8751	8320	6252	29718	1410	17263	4203	3133	3640	3854	5332	2873	52427	2450	7264	4812	2178	28392	19321	3656	0	0	0	28227	26771	0	3628	4005	16929	9957	12515	0	17403	12659	6370	5056	7534	2935	7129	20667	22698	15334	4271	16822	6900	3522	29200	40932	45061	4929	1730	0	2785	2441	0	2866	5115	13750	5400	19634	2696	15660	17808	7935	6396	3988	7781	3457	6619	8073	10227	22161	34541	0	12399	11095	10556	11708	12347	4911	3983	4717	16027	7319	11106	0	5394	24034	Phytochemical	0.4	1.08	0.04
8	C25 H27 O10 N1	502.17078	502.1717	0.12913269	502.17084	7091	6422	5299	5462	5413	2579	2653	2785	4712	24416	12478	2142	6254	1595	2205	3668	2174	3563	3743	22240	25394	13320	4043	3792	1407	10072	1950	6588	2269	2617	3414	2886	3081	1601	33773	3282	3667	1979	2454	10864	17289	2103	0	0	0	14521	15579	0	4589	2931	5766	7275	2655	0	7307	4964	1999	3764	3512	2391	0	10743	9181	5486	0	5111	3562	3296	10697	15348	19909	2058	1040	2781	0	2383	0	2910	4747	8690	4438	7409	2546	6958	3348	0	3934	2021	2768	5350	0	0	4019	11072	15441	0	6541	5871	3566	4731	4358	4153	1787	5160	0	4028	3131	0	1796	5765	Phytochemical	0.4	1.08	0.04
18	C22 H31 O12 N1	502.1919	502.19263	0.08934695	502.19196	251777	209125	232252	212197	174949	196321	117355	332002	224670	379601	149089	120989	363054	92208	273919	204358	90918	354479	366413	531180	413108	264731	263035	274931	230213	162177	91333	104421	291177	238597	244182	239868	234958	193513	430588	275873	254307	168568	95343	310973	121098	152930	6792	883	545	608588	335364	519	224658	247617	218752	228643	171366	1464	426880	155173	110540	190255	261017	83525	230414	216890	259348	235823	93423	195153	156212	82736	146534	274502	157429	251613	208541	309031	118210	217330	518	182195	158306	139092	153593	320420	146231	151393	187484	155957	127534	105625	141315	61975	164481	236083	301057	134694	237457	2245	235178	275256	178603	106582	121778	218047	145336	270611	297622	194060	153548	645	129496	292588	Lipid	0.54545456	1.4090909	0.045454547
20	C22 H31 O12 N1	502.1919	502.1926	0.08703118	502.19196	114145	118927	117742	112838	97919	100406	57043	164201	137148	194493	74913	65965	179077	45211	144473	104463	40384	189139	188144	261532	219933	127166	115898	142113	109410	88021	40499	44084	138976	118045	116553	107979	105410	109941	230948	125258	115013	90926	39818	175359	61858	73147	4256	1268	309	348785	222472	665	103078	128961	108650	110868	94425	853	219490	94025	50416	98586	120698	41867	109982	120697	134501	125514	53872	101757	90494	33853	88301	171228	85717	122220	131017	147869	67190	100275	1185	105544	81070	68135	85569	162159	74773	98157	97953	77354	60918	45975	73558	30543	87083	109995	146063	74972	105018	0	120227	136636	98476	64309	61649	119825	81915	146311	222998	94181	96381	717	62104	184114	Lipid	0.54545456	1.4090909	0.045454547
24	C22 H31 O12 N1	502.1919	502.1926	0.17133929	502.192	12637	10129	11743	17577	12867	9920	4480	12550	13091	37411	14289	6303	14236	4737	15415	7100	5170	24529	11605	23222	30563	13708	11240	13936	9255	6246	6113	11676	13648	8899	13400	9431	8628	10126	23461	13207	11325	7829	4563	28351	11625	5972	0	0	0	43807	41663	0	12445	15208	11834	12834	7022	0	18460	7261	5416	7486	11739	5669	12840	15007	13795	11970	4140	7740	5565	4800	17322	33056	15865	17424	14015	28425	7047	10052	5206	11029	7648	7834	7949	28160	6420	8821	12660	7209	5566	3589	6418	3988	7315	9460	11935	9834	12864	0	15535	14057	7924	3012	5092	7460	6139	15616	38071	9210	9121	0	5888	17297	Lipid	0.54545456	1.4090909	0.045454547
26	C22 H31 O12 N1	502.1919	502.19254	0.16627173	502.192	5759	3374	4424	6158	4349	3315	0	8283	3436	18777	4068	0	3893	0	0	0	0	10491	0	19709	16401	4697	6171	5891	0	0	0	0	0	0	4829	4540	2621	5614	14551	5769	4632	0	0	6386	4150	0	0	0	0	20357	9925	0	4498	0	3517	3586	3398	0	6375	0	0	0	3754	0	0	4373	2847	3464	0	0	0	0	0	10472	4875	6814	5471	7235	0	3124	0	4030	2707	0	0	7115	2689	4925	0	0	2190	0	0	1653	4499	3093	0	0	0	0	12133	7414	2777	0	0	0	4718	0	12239	0	0	0	0	4891	Lipid	0.54545456	1.4090909	0.045454547
14	C22 H31 O12 N1	502.1919	502.19266	0.09097028	502.19196	161456	161158	144967	151672	108188	108548	115310	255524	148074	244035	137861	108953	186788	65903	205099	178907	133870	208560	222305	343642	333277	187757	193836	231836	154309	126002	92240	116420	220419	210996	155294	215429	186248	134880	289195	209421	150806	134979	99811	199609	130496	128750	3208	392	0	384596	331320	0	151465	216341	145906	160755	103225	849	238338	120438	70125	159393	253004	129243	255240	177191	163994	169017	69807	133003	108544	85756	179022	177558	133625	163901	146288	240045	117479	158248	0	138609	135150	148092	131447	219273	115348	125452	146515	125924	110232	85252	103838	92315	100594	135362	201679	124458	188666	1359	145540	231214	125554	97288	111611	213749	116186	276552	351780	126884	120590	0	103155	149706	Lipid	0.54545456	1.4090909	0.045454547
10	C22 H31 O12 N1	502.1919	502.19275	0.14086622	502.192	36466	29249	28606	35508	19504	20658	24215	51172	22222	45371	22966	27489	32754	11445	33293	40141	36850	31432	34192	58863	60378	36204	35909	46124	23347	27102	22014	15397	44446	40779	34784	35320	39570	28454	50556	45618	39468	26424	28676	43201	37736	23065	857	0	0	65632	70088	0	36514	48332	34043	32776	17307	0	40645	25832	13110	33368	34736	27692	44742	27025	27387	24327	17392	26278	21784	29363	34284	23546	32502	34838	34925	42590	23712	40531	0	27900	27174	17815	30621	32672	24486	21483	31508	18290	23324	14215	19288	20120	13035	31162	50146	23060	36649	0	31457	43447	20769	16865	25074	44999	24406	50534	52370	31086	23160	0	23097	27275	Lipid	0.54545456	1.4090909	0.045454547
28	C17 H36 O12 N1 S1 Na1	502.19287	502.19345	-0.19779368	502.19278	3351	2271	4560	2720	2800	3354	0	5535	3039	14917	2668	2419	3792	2091	3327	2769	3426	5349	4055	17130	16678	2974	4294	5331	3487	3232	2046	3289	3646	2591	3893	10612	2657	4241	11776	3695	2740	3099	2510	8865	2457	0	2119	2982	0	16438	12740	0	4488	6055	3591	4001	1200	0	3900	2193	1358	2559	3706	1608	2919	3621	2969	1960	0	2420	2864	1439	3691	13893	6712	3585	3420	6664	2767	2696	3935	3906	1958	2241	1357	7068	3721	5494	2312	0	2051	0	2018	1680	4015	3422	3229	1799	4794	0	23860	5077	1759	1049	0	2238	16817	7916	10132	2446	1166	2058	2197	3363	Organosulfur	0.7058824	2.1176472	0.05882353
18	C21 H31 O11 N3	502.20312	502.20416	0.5382983	502.2034	8020	12944	13574	9790	8554	0	6666	22730	10378	21716	12330	5356	6622	2726	13062	5200	0	13890	15530	20766	12922	18200	14147	16412	21008	0	6602	4830	13116	8872	16430	24980	21584	14488	29010	17440	23295	13014	5392	12026	1994	3358	0	0	0	15108	7586	0	17216	14590	14308	7350	3692	0	26032	6674	3258	14242	28818	2594	15568	11168	14508	9502	4668	11884	8126	4150	0	13914	0	21784	12860	9652	6033	0	0	15760	9568	5470	10452	7946	6906	8332	6708	2450	6812	4400	5904	5234	13404	20382	21240	4970	8500	0	18762	13734	5326	5958	5460	11626	10794	14574	6298	14244	6308	0	8648	8706	Peptide	0.52380955	1.4761904	0.14285715
12	C26 H31 O9 N1	502.20715	502.20798	0.08725732	502.2072	12735	13688	16886	15635	8556	7055	8357	15866	9654	44593	29114	9422	6773	6095	12406	17097	11394	11488	13961	51294	53469	30182	9937	16416	9587	34234	6874	23507	9018	7360	10563	13295	11780	8825	69857	8163	10367	12569	14821	40555	32839	5804	0	0	0	28309	16727	0	15196	9425	15831	17909	9818	0	11312	7445	7048	14630	6171	0	0	19616	12346	8863	3969	8858	6714	13481	26877	55398	47487	10269	9017	8267	11292	7822	0	8142	12099	0	9563	9251	7439	20293	6015	4714	15855	7663	6652	26218	15636	18167	18367	21873	27112	0	14804	12984	10151	8292	8564	12616	5041	16490	0	12475	5787	0	10212	9225	Phytochemical	0.34615386	1.1923077	0.038461536
28	C26 H31 O9 N1	502.20715	502.20776	0.025984565	502.20718	4634	4677	5700	4306	4560	6284	1166	2481	3550	11844	4530	1554	7416	4153	2998	3372	2437	7863	10367	6512	10792	8039	4037	6425	2383	16938	0	5920	5366	0	2751	2096	5246	2674	14618	3848	9794	1354	2665	7145	6126	2685	0	0	0	4277	4173	0	4908	2805	5365	5336	2799	0	4681	0	1735	5392	3797	1946	4801	4872	7238	5425	1111	6376	3831	3055	14408	24033	26019	1754	1734	0	0	1612	0	1525	4526	2585	2275	2921	2510	4879	4522	0	3623	3552	2375	3113	7224	10907	11646	2784	5747	0	5088	5202	3165	2346	4034	4479	0	5105	0	4094	1715	0	2306	8302	Phytochemical	0.34615386	1.1923077	0.038461536
22	C26 H31 O9 N1	502.20715	502.20782	0.06921143	502.20718	57049	63587	55595	56804	56478	46816	23826	41259	58765	167649	98028	23860	59322	35021	30158	39247	26467	69773	67764	160000	148347	70108	39521	54983	40382	165231	16377	89127	34070	34400	33919	36210	44517	38002	167974	35425	54750	26409	27259	107763	76475	36556	0	0	0	79526	74487	0	34435	39999	65206	61911	42531	251	59659	47005	28503	42972	38041	24272	48523	77927	60329	45434	20398	60069	38338	25074	137685	196362	176533	37339	33946	25250	21703	29280	0	21864	47290	41192	37723	47926	31131	60912	58104	34605	39501	33676	35206	38333	57409	66547	81772	54974	87947	0	54736	60050	41458	42324	44053	46563	24325	47832	54933	46904	39377	0	34548	68118	Phytochemical	0.34615386	1.1923077	0.038461536
8	C26 H31 O9 N1	502.20715	502.2081	0.1788002	502.20724	7671	4998	3883	7182	4492	4453	3364	5147	4434	21613	11215	3787	4124	1855	3740	5248	3101	1720	3809	25842	22629	11612	4259	7388	2666	10192	2706	13662	4634	3883	3576	5397	5033	4401	24781	4053	5647	2301	4914	14267	12392	2175	0	0	0	11392	5280	0	5099	4105	5916	5004	2383	0	4158	2235	2899	6163	1084	2546	0	9219	3888	4827	0	4382	2924	6501	10119	21206	20827	5754	4922	4768	2914	2533	0	2669	3499	3369	2633	3342	3602	10816	3585	0	5122	2120	4470	7187	0	0	6261	8335	17151	0	6320	6166	2459	2535	0	4945	4178	5151	6791	4331	3448	0	3275	3193	Phytochemical	0.34615386	1.1923077	0.038461536
16	C26 H31 O9 N1	502.20715	502.2079	0.015607014	502.20715	47180	44629	49543	46162	28662	20844	24786	49059	35521	97880	59971	24265	31599	18644	30265	53381	29147	31528	46250	115476	110695	58928	34400	51837	29895	84423	28490	56793	39967	41086	39038	35788	54460	30926	127629	35284	45058	20792	33856	84117	82291	26028	360	0	0	51253	54873	0	42160	42808	47090	44901	26378	0	32732	23286	15311	47309	27724	29607	41043	54772	36830	27121	17024	30191	26869	39534	70203	121103	105948	38451	37971	32174	33335	36147	0	27130	36477	41258	31359	30034	34376	60967	29340	17914	42878	26473	30797	69638	49529	54896	82958	51742	60527	0	49649	48796	24309	22176	26300	49553	23245	49100	29584	40778	18388	0	35858	37326	Phytochemical	0.34615386	1.1923077	0.038461536
10	C26 H31 O9 N1	502.20715	502.208	0.21672149	502.20728	13790	11798	7951	10375	6540	5802	4498	6851	8631	37190	17607	4472	6476	4842	6082	8334	5658	5958	9656	42103	43868	19720	5340	11352	5607	25663	4149	15776	6485	5035	8061	7901	10467	6589	48930	10448	10422	5444	6420	28241	24745	5021	0	0	0	17832	11543	0	7953	8332	12815	11808	5121	0	8338	5312	1944	14346	0	4793	0	14547	6388	4570	1637	9042	5769	7716	27568	43525	32697	6451	11055	5742	5553	9373	0	5573	11044	8050	5401	6598	3980	14341	5285	3600	7586	4593	5842	15361	8325	8248	12822	11743	27780	0	13835	11249	5050	4562	4955	5586	3724	5799	0	8995	4977	0	5528	3704	Phytochemical	0.34615386	1.1923077	0.038461536
18	C26 H31 O9 N1	502.20715	502.20786	0.049757384	502.20718	83809	81558	63997	65899	46136	35167	38064	58593	43229	169907	100584	37145	56650	39331	47962	70626	46543	69685	72158	189982	163020	78438	44980	66358	50157	157033	36390	96465	69970	46031	46016	60197	65638	53409	168908	45814	69182	43868	48577	125237	113534	42404	1473	0	0	79268	70879	0	54166	53352	68648	63419	44419	0	54854	35304	35383	60220	51087	40102	73858	79512	63684	39462	24655	52064	42757	51606	141563	192938	189100	50611	40044	45889	43875	55353	0	36513	51430	58365	44655	48756	50357	82054	48554	37902	64585	45636	39500	59013	79727	69057	108653	62421	104269	0	65378	77979	37391	35728	42615	76289	30775	71859	48556	63047	42879	0	48267	51760	Phytochemical	0.34615386	1.1923077	0.038461536
20	C26 H31 O9 N1	502.20715	502.20782	0.042789932	502.20718	94480	92840	81895	67676	63991	54229	30037	63444	65629	189834	122117	28176	79234	43584	54070	64955	42848	77689	87619	206130	194100	118088	51160	87016	54300	210040	34656	118366	62966	49637	51763	48573	75697	57398	225268	50135	83294	35989	47935	148288	114294	52151	1728	0	0	94518	87916	0	59580	53328	75808	87331	53987	495	73712	47754	32949	77744	57169	41493	71635	92698	81425	60816	32766	75846	56876	48074	164763	240756	224325	56681	51795	42777	37778	50084	0	39407	59426	57864	43045	60210	45174	129592	60603	41731	56632	49766	48748	60500	105302	107384	114725	64701	108182	0	82613	83443	50319	48437	45344	67759	30977	77876	61129	61090	56745	0	50103	84273	Phytochemical	0.34615386	1.1923077	0.038461536
24	C26 H31 O9 N1	502.20715	502.2078	0.071444675	502.20718	26837	25382	23062	28128	33175	21736	8101	17058	27387	67300	41165	7777	39972	16184	13217	18031	11431	34519	37292	65403	74172	33875	21979	26115	14410	75163	6476	38019	13985	10468	15367	15761	18289	13444	94588	12204	25163	12405	12333	52879	45618	12228	0	0	0	41832	36266	0	18414	11966	23528	26306	22465	0	21725	25032	8541	20065	12037	8687	17574	37481	35847	28029	9061	31703	14216	12442	72282	105749	91828	16454	15083	9387	6851	9481	0	9648	22403	14878	17175	21696	12744	32827	27025	11408	19151	12158	14765	13697	23999	19337	35874	22103	40685	0	26074	25338	16487	19075	25538	15231	7605	23671	21949	20771	21826	0	12458	36238	Phytochemical	0.34615386	1.1923077	0.038461536
26	C26 H31 O9 N1	502.20715	502.20776	0.04448139	502.20718	11647	8996	10373	9188	11326	8819	1960	0	13736	27826	14791	4097	25412	3877	0	5956	0	15695	16878	18383	23557	16368	0	16187	7199	31115	0	14209	0	0	6353	6476	9645	4402	25565	0	7515	3183	2682	23156	15929	6965	0	0	0	16291	18045	0	6758	0	11798	10928	7143	0	12138	8932	4061	10360	5161	3472	10552	9039	12706	7401	3716	9088	5464	3776	37032	40310	55608	9249	4653	0	0	4504	0	4409	10940	10020	8527	8418	3036	15764	11565	0	7991	5882	5569	4663	13653	10437	21154	9249	14099	0	13944	10394	5299	7059	9135	5625	0	8094	7606	12534	6104	0	3179	18727	Phytochemical	0.34615386	1.1923077	0.038461536
2	C20 H31 O10 N5	502.21436	502.21524	0.16042301	502.21445	0	0	0	1561	1045	0	0	1302	683	0	1334	836	1369	0	700	0	1183	1036	696	0	0	827	942	1605	0	0	0	6608	2456	418	1766	876	2184	1194	0	1187	1817	515	1212	0	0	0	0	0	0	325	0	0	1494	493	1969	761	999	0	473	237	324	1342	0	0	0	0	1292	712	0	933	1009	1763	0	0	0	901	1412	1041	0	1077	0	923	721	31064	0	0	0	0	410	359	1463	0	1137	3074	12873	4251	3815	3903	0	0	2697	1368	0	0	633	1012	1122	0	0	2671	453	0	1014	1609	Peptide	0.5	1.55	0.25
6	C25 H31 O8 N3	502.21838	502.21936	0.15652838	502.21848	9415	9052	6814	8834	1888	3705	6090	9791	3024	7091	4568	4651	2659	1694	5737	11597	7057	3939	5803	7879	9511	16280	6688	17477	9175	2413	6519	3259	7771	7399	6796	8473	10393	9345	9639	9157	9777	6095	12385	11074	10475	3986	0	0	0	13325	12305	0	9301	8759	10822	9885	4088	0	5206	11214	4687	13820	3593	6071	12868	4804	2745	4180	2082	3281	4680	13328	2703	7404	6788	7780	5674	6662	3395	6405	0	3858	8662	6349	6576	4060	6115	7414	1611	5220	11735	4706	4682	24129	13606	14213	24017	5790	15087	0	6992	8594	1937	4469	7956	6950	4876	11803	0	10286	1880	0	8187	3115	Phytochemical	0.32	1.24	0.12
10	C23 H35 O11 N1	502.2283	502.22916	0.17147198	502.22836	14447	13817	9684	14934	6018	6912	7665	19293	6411	10023	2645	8696	8827	3107	12964	16321	12805	7452	10360	14870	14085	13770	9771	19242	12087	7528	5704	6039	16265	20465	13786	13665	17924	10887	20220	20454	16255	10951	9831	11498	7338	5089	0	762	2004	14525	8687	0	16147	16254	10107	13553	4979	567	12686	8807	3937	15265	12031	7903	12056	6601	7569	8245	4267	6518	7003	10350	0	7534	6874	16706	15350	19111	10665	14084	0	11337	11545	9645	10838	7766	8966	4864	7587	4929	9428	5259	7301	8556	19754	16015	17919	4406	7478	869	12836	14486	3978	3005	7489	15393	9489	21719	0	11088	8781	0	9511	9450	Lipid	0.47826087	1.5217391	0.04347826
12	C23 H35 O11 N1	502.2283	502.22913	0.14628878	502.22836	15560	17316	22833	21119	11179	14161	17558	52131	15067	21794	15471	19387	15828	7750	33967	26281	25712	20561	27591	41291	33495	21341	29838	35928	29302	11524	12169	16813	41453	24824	27368	21574	33729	22480	23296	36289	20191	23448	23406	19524	14514	15109	0	2435	2597	34670	24012	1121	22309	31570	18268	12054	13714	1765	24311	16089	11978	30925	41638	17662	21484	15777	15334	17047	8770	17465	13302	18790	19255	19848	17483	26065	25273	37783	20361	18990	0	24318	23802	16211	25382	17095	24245	13061	16331	14659	21401	6404	14630	19718	18457	19976	32408	9624	12092	1614	19625	33170	15015	13056	20556	35987	17428	35408	0	23040	15235	0	22948	17433	Lipid	0.47826087	1.5217391	0.04347826
18	C27 H35 O8 N1	502.24353	502.24423	0.07013508	502.2436	41640	44078	42322	34266	31932	22464	27551	44952	19732	56540	46561	27690	32393	21340	30614	51445	44030	28339	36871	77341	79849	47153	30414	52495	35942	88680	29357	44665	44022	36046	38880	45273	55222	34412	63468	40672	37106	32670	44919	59766	59691	23098	825	5103	11662	38981	32187	14333	51229	37118	47907	41249	26623	441	22481	17845	16223	51382	25378	41630	47257	37087	24385	25649	15160	21496	30356	62139	76147	87563	101919	37534	32321	37679	41124	40965	0	24145	43302	32561	34166	25471	30277	42685	32841	24560	49472	23718	24083	65889	57265	51063	88380	31271	41566	1168	42602	41987	14064	22161	21173	53854	24602	40643	22163	42742	20450	10326	31405	25918	Phytochemical	0.2962963	1.2962962	0.037037037
20	C27 H35 O8 N1	502.24353	502.2442	0.0728275	502.2436	74519	75147	78898	62039	52877	37894	45182	69559	47123	105411	74986	47023	58129	41171	57884	89699	64210	58917	75245	146147	157577	83086	57158	90401	67576	186378	41912	85723	65964	58287	55486	56315	83901	68671	111471	59670	82646	44252	68226	100918	95273	46881	844	5280	7589	78969	65185	11139	73877	54142	76392	76476	50850	531	52669	39359	30250	69484	52493	46663	88390	63582	55335	45735	25940	54825	49134	62345	148556	196942	201052	65288	64931	61007	67733	54897	0	45682	71111	57598	52201	37650	50879	93466	60601	39391	78403	52478	46156	83512	83281	90676	116530	50984	76388	1114	73080	77904	36955	37961	42870	88121	44762	90119	45667	77445	39311	9588	57235	54621	Phytochemical	0.2962963	1.2962962	0.037037037
26	C27 H35 O8 N1	502.24353	502.24423	0.042460117	502.24356	19503	21772	21937	20424	25511	15240	10386	18911	20761	25902	30795	9693	26093	19801	14514	22144	11800	14995	25471	51193	44204	18668	21872	28446	27525	67592	3733	29248	24574	14953	11600	15589	26251	17240	45927	16071	30414	9656	9998	29517	33097	8571	8293	0	0	18527	17771	0	26456	9617	21251	21177	18822	0	18063	23044	10492	23092	17272	8465	24719	18605	18953	15575	8854	19505	17647	11708	66894	74646	90487	20440	13770	9012	8839	12389	0	10164	27578	12072	18636	15651	11781	29298	19312	12167	31592	15990	14009	21128	17300	17556	30699	11540	23876	0	18916	18579	12463	20189	20998	23298	8676	15464	9099	17622	15964	0	27245	21925	Phytochemical	0.2962963	1.2962962	0.037037037
24	C27 H35 O8 N1	502.24353	502.2442	0.103342056	502.2436	177647	163434	180063	161247	162921	109747	70698	136248	303948	338526	231474	75498	189564	112007	103275	156345	92187	155953	196452	394302	348966	165804	125733	183633	120156	540900	67239	234894	134634	125835	126501	140223	136665	140328	307260	127020	182723	89823	91125	258570	235380	103362	0	7413	27639	208794	141432	9135	140151	100887	177480	179652	124785	0	175362	114987	66378	179785	101628	82677	143970	178473	144834	131619	69324	155289	118465	98832	466281	582963	555945	142383	123162	102735	79608	106365	0	81936	139767	105192	111189	112713	91227	205764	190143	89940	144171	105363	109131	137829	176049	192292	226383	146310	170736	0	158013	184407	112932	126849	133692	148587	69990	147018	90903	159876	122721	11433	95442	167118	Phytochemical	0.2962963	1.2962962	0.037037037
22	C25 H35 O4 N5 S1	502.24826	502.2493	-0.09584875	502.2482	254414	216100	208691	236854	252132	142718	126272	207074	263200	323097	251744	127682	223783	152236	173752	206352	154528	221390	273540	414578	389972	206754	207806	206779	164414	565586	131538	248408	402582	166587	166055	207534	223214	146122	398595	194380	227256	174240	170680	249186	246188	145193	0	0	0	185780	161515	0	176340	173262	240836	244146	174946	582	286936	217572	135392	214985	154236	133286	214719	174468	284044	220877	109208	210678	151322	189072	446237	628362	640880	158393	146182	339048	149774	155421	510	151372	250389	127894	216752	125028	156238	205966	300700	170042	240954	132176	138230	186718	209447	228148	217396	142172	191980	0	217184	228405	204691	274492	251276	233966	124864	221686	132498	180738	233396	0	164814	272715	Peptide	0.16	1.4	0.2
8	C21 H35 O9 N5	502.25076	502.25134	0.23645826	502.2509	1274	823	912	1128	0	995	0	0	0	0	1588	0	0	0	0	0	0	811	0	0	0	0	0	0	0	0	0	9172	0	0	0	0	0	0	0	0	0	0	775	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37139	0	0	0	0	0	0	0	0	0	0	46292	32689	0	3798	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.6666666	0.23809524
6	C21 H35 O9 N5	502.25076	502.25162	0.3057379	502.25092	1592	2721	2700	2587	0	1388	0	0	0	0	3775	0	0	0	650	790	0	0	0	0	0	0	0	0	0	0	0	26974	0	675	0	0	0	0	0	0	0	0	953	0	0	0	0	0	0	0	0	0	0	584	2607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1139	0	0	0	0	0	0	0	0	0	0	0	180221	0	0	0	0	0	0	660	0	0	1030	174389	58946	1262	20662	2907	0	1926	2230	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.6666666	0.23809524
4	C21 H35 O9 N5	502.25076	502.25177	0.26777813	502.2509	1610	2047	2505	1560	0	2267	0	0	0	0	1689	0	0	0	649	633	0	547	362	0	0	0	0	370	323	0	0	21965	0	0	0	0	0	0	0	0	856	0	0	0	0	0	0	0	0	0	0	0	0	0	1357	1755	0	0	0	343	0	365	0	0	618	0	0	0	0	322	253	0	0	0	0	434	0	0	0	343	0	0	364	187309	0	0	0	0	0	0	397	0	0	0	123609	39372	962	12279	2122	0	1980	701	0	0	0	0	437	0	0	0	0	0	0	0	Peptide	0.42857143	1.6666666	0.23809524
2	C21 H35 O9 N5	502.25076	502.25168	0.15065221	502.25082	2343	1303	1349	1841	410	0	1486	2230	0	0	1061	1253	0	304	1995	339	2195	585	0	0	0	0	465	976	564	0	0	11724	2003	2104	1759	2180	4473	1533	0	2192	3241	1353	2576	0	0	0	0	0	0	0	0	0	1668	2067	2222	1622	0	0	589	0	0	1880	0	0	662	0	0	469	0	663	661	2415	0	0	0	2924	2659	2690	0	2279	0	2881	308	132419	711	0	0	0	314	282	504	952	915	0	31084	14393	1386	6495	0	0	1326	1827	0	0	0	2385	1826	0	0	1919	0	0	962	481	Peptide	0.42857143	1.6666666	0.23809524
14	C24 H39 O10 N1	502.26468	502.2654	0.08657646	502.2647	5203	5289	5377	4223	2604	2832	6013	9703	3600	2601	2166	4787	4200	1516	10498	9808	9182	3662	7747	7192	3180	0	6488	5742	13297	2848	6977	0	12281	16917	9250	14357	6821	4691	0	14447	8127	4995	11383	2175	0	4712	0	0	0	3675	0	0	9520	8701	6502	6951	2723	0	6539	4367	2976	7788	0	0	0	0	5962	4754	3729	2899	4531	6499	0	1909	1284	4802	9166	21202	10256	7566	0	6347	2859	0	6299	3500	5721	3734	5094	6309	4321	2524	3492	4823	8259	4771	4742	0	2668	0	5579	9510	2359	3489	3010	10362	5324	8422	0	6331	2937	0	5042	2234	Lipid	0.41666666	1.625	0.041666668
12	C24 H39 O10 N1	502.26468	502.26556	0.16968489	502.26477	6044	0	0	0	0	2944	6330	11164	2456	3154	0	3726	0	0	7716	7088	3478	2466	4962	4018	5346	0	5134	6294	8372	0	0	0	9114	3946	9240	6456	8184	3930	0	9846	5080	3552	7154	0	0	3046	0	0	0	4792	0	0	4948	6160	3690	0	2364	0	5494	2532	0	8296	0	0	0	0	2514	4504	1846	2664	0	0	0	0	0	4342	4252	8124	0	5214	0	8768	3982	31844	3152	0	4170	0	0	4000	6558	2216	2942	8992	34541	10860	5954	0	3364	0	4560	0	0	2154	3238	0	3754	0	0	4300	2384	0	4722	2354	Lipid	0.41666666	1.625	0.041666668
16	C24 H39 O10 N1	502.26468	502.2654	0.043717604	502.2647	21150	9622	19893	13207	6463	9744	20659	35364	9729	7464	3825	12751	14626	4114	23375	26229	16109	14392	24445	15843	8206	7970	22678	30450	21741	5591	14700	2806	25754	28853	20501	22169	24282	18957	11519	27638	21377	18037	15430	3883	2101	14055	840	0	0	11408	5801	0	25657	21673	15017	15640	10512	0	22043	10556	8297	18674	14014	8205	29882	3755	15722	13568	5452	10480	12676	17229	3679	6537	4274	15581	18411	30447	23287	19203	0	13657	15311	9583	13970	8799	19192	5760	20549	12481	24149	5767	11160	0	17343	18798	33843	5679	9517	0	10992	22190	6713	14130	17914	33919	17519	16694	7728	23188	8432	0	17011	7875	Lipid	0.41666666	1.625	0.041666668
20	C24 H39 O10 N1	502.26468	502.26532	-0.005186634	502.26468	67381	65033	72159	49234	38603	38929	58665	92952	68899	71567	30509	33839	70500	29458	88347	67050	23887	88017	101958	72213	49914	52187	66491	88017	78591	13028	41821	28442	95885	81245	80858	78150	97936	67930	83356	88343	96846	61250	26582	47728	11291	42930	2339	0	0	49922	10541	0	70765	61277	53434	59020	42644	308	118238	53064	33635	62518	76317	13855	77555	29778	73278	65486	24256	52402	47731	24851	9496	43772	12451	69956	74012	93124	47577	62467	0	62122	52662	21271	45231	21478	85326	46519	52264	46019	46915	32482	49031	27801	74313	92499	119739	23314	32650	769	66034	74747	33244	32021	44863	94238	51887	86012	34898	71300	40068	0	46913	82635	Lipid	0.41666666	1.625	0.041666668
24	C24 H39 O10 N1	502.26468	502.26526	0.015989011	502.26468	16857	13521	14745	15320	9230	18942	11463	18316	16997	32772	5502	6436	33583	12554	23225	12089	1975	35615	35251	20436	13432	21413	17139	17541	24451	2870	5781	5154	29043	13597	21456	18851	21926	17437	41069	19823	35492	18787	3843	14967	2899	10225	2730	0	0	11906	3031	0	25275	16457	11600	15831	13158	0	45066	12029	7716	19052	22064	2094	18807	7060	27963	13945	5715	27041	14929	1835	2075	17546	0	18475	13380	20842	4402	15478	0	14177	11220	3236	8819	4361	14854	5337	10508	10494	7586	4604	10240	3575	30790	30120	24936	6092	11401	0	15610	19913	8923	5769	5106	17856	7933	21211	10109	17715	6898	0	7804	27522	Lipid	0.41666666	1.625	0.041666668
22	C24 H39 O10 N1	502.26468	502.26532	0.002405857	502.26468	60940	58916	56795	48775	41944	54435	48568	96329	67309	83850	16234	23422	77821	29340	87900	45181	11841	94692	104191	87615	47011	49370	58113	65843	80260	11966	26315	29924	107696	62967	76954	71775	88369	58343	102373	75222	113347	61015	14327	39710	6964	36656	0	0	0	51416	7317	0	64486	61365	54050	51195	47420	356	125150	46410	28927	60326	83213	6180	64544	21437	68940	63591	27432	57738	50005	8556	8129	44163	14960	67932	62940	78232	16138	45531	0	65254	43176	12498	38086	17701	55636	28696	35427	34198	41990	25298	37762	13746	79411	100529	87419	13243	42046	0	50177	60481	26081	28493	26302	71819	40057	69223	23028	58341	34051	0	33026	91731	Lipid	0.41666666	1.625	0.041666668
18	C24 H39 O10 N1	502.26468	502.26535	-0.011775099	502.26468	40541	36511	34587	29993	19603	24462	43319	61651	29676	26421	16712	28021	43179	17586	53581	47339	33677	44107	60077	33044	29677	22760	41002	53181	48798	13903	32616	17747	71012	44821	47340	53924	49287	43336	25463	57828	54971	35856	23641	19756	9633	27402	1365	0	0	27724	9145	0	58606	45192	40405	34766	21465	0	62611	32703	18680	47534	35326	16841	53553	13620	34929	30700	21760	34359	33469	22721	7738	20154	10718	45147	43615	59771	31856	45180	0	35091	40064	18608	33604	14862	46334	24656	33677	34625	36919	18174	28566	24016	47037	46559	56519	10299	14817	0	30704	37733	24931	23584	35607	58664	31134	45005	15846	36773	29668	0	32693	29259	Lipid	0.41666666	1.625	0.041666668
20	C28 H39 O7 N1	502.27994	502.2806	0.049880918	502.27997	18180	17306	23108	18219	20783	7338	13999	18721	11378	21154	23084	17692	13232	8112	14802	25258	30532	16401	21903	28646	29183	17170	10570	21596	13556	63344	13351	22000	22629	16857	18429	20521	25900	18527	16644	26919	28980	14956	30483	15119	25575	15647	512	0	0	12879	10370	0	26918	21825	17123	15997	15116	0	14044	12276	7873	30021	9465	17076	27354	10200	8977	9563	6833	10053	8872	39472	40202	32589	62642	13775	14892	17937	22764	15893	0	13399	19294	11690	11530	6408	16700	21062	19500	12649	28990	14203	11387	35925	25872	21961	28235	10117	22078	0	19604	18115	11508	12089	20483	30739	17415	25429	9171	21015	18035	0	19149	7289	Lipid	0.25	1.3928572	0.035714287
26	C28 H39 O7 N1	502.27994	502.28064	0.033135373	502.27994	31364	28587	34143	30165	44313	17750	13100	38893	32009	40417	50443	14567	38735	25109	28118	31669	22395	27347	50682	67418	69970	27289	21020	37816	37249	124697	12905	50454	40009	28333	33727	32125	35424	28287	44936	37183	33709	18846	21119	49036	43900	19517	0	0	0	37080	22726	0	28711	27156	31799	27056	30452	0	37497	36444	16427	33280	25021	17700	44118	30204	27480	26548	10113	34056	26704	25811	112208	95833	105363	30563	30323	27389	13355	31768	0	17537	36935	21416	20594	20918	23760	34891	43154	20585	39495	17469	20728	39130	40615	43182	44205	23490	26129	0	23843	37180	24258	39684	40177	39750	20280	40943	18189	26319	32296	0	25979	26789	Lipid	0.25	1.3928572	0.035714287
28	C28 H39 O7 N1	502.27994	502.28052	0.02719477	502.27994	5255	3001	5116	4427	6722	1574	2237	3566	3980	5118	7517	1457	5848	2420	0	2772	2832	2494	6221	5404	5817	3730	2306	3424	3038	21168	2278	9175	3677	4981	2845	2594	5119	1943	7193	3373	5010	1494	3211	5703	6315	0	0	0	0	0	3122	0	3782	2679	4605	4686	6059	0	7055	7569	1803	4211	3301	1682	5165	3620	3651	3591	1390	6782	3747	4582	20585	16188	26272	4014	2600	0	0	3467	0	1776	4639	2884	2155	2553	2167	5076	8527	1907	9141	3538	2105	4154	3015	4752	5468	1939	0	0	3865	4723	2998	8450	11442	6955	1871	5257	3075	4535	5867	0	2720	2414	Lipid	0.25	1.3928572	0.035714287
8	C22 H39 O8 N5	502.28714	502.2879	0.13257873	502.2872	16621	19472	11332	17224	0	13919	0	0	0	0	26136	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	199598	0	0	0	0	1971	0	0	0	0	0	0	0	0	1170	0	0	0	0	0	0	0	0	15860	17467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	849447	0	0	0	0	0	0	0	0	0	0	1475588	630831	0	94840	13489	0	15206	12216	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.7727273	0.22727273
10	C22 H39 O8 N5	502.28714	502.28793	0.14850555	502.2872	9040	8293	11726	9345	0	7564	0	0	0	980	11345	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	109575	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10724	11792	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	388601	0	0	0	0	0	0	0	0	0	0	1305941	429080	0	58645	7890	0	10364	7993	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.7727273	0.22727273
4	C22 H39 O8 N5	502.28714	502.28812	0.3896872	502.28732	1162	1093	971	0	0	5271	0	0	0	0	0	0	0	0	0	485	0	0	0	0	0	0	0	0	0	0	0	21310	0	0	0	0	479	625	0	0	0	0	0	0	0	590	0	0	0	0	0	0	0	0	1075	668	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	129011	0	0	0	0	0	0	0	0	0	0	67334	18442	0	5541	0	0	655	623	0	0	0	0	0	0	0	407	324	0	0	296	Peptide	0.36363637	1.7727273	0.22727273
12	C22 H39 O8 N5	502.28714	502.28787	0.02924866	502.28714	3146	0	3941	0	0	1375	0	0	0	10212	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47030	0	0	0	0	0	0	0	0	0	0	0	0	0	0	863	0	0	1622	0	0	0	1015	2990	0	0	334	0	0	0	2262	0	0	0	0	5297	0	0	0	0	0	0	2465	0	0	0	1233	0	1025	0	0	0	110002	0	0	0	0	0	0	0	0	0	0	308996	132637	0	17407	2562	0	0	2312	5152	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.7727273	0.22727273
6	C22 H39 O8 N5	502.28714	502.2881	0.27449125	502.2873	6371	8358	4404	6622	0	15973	0	0	0	0	5964	509	0	0	0	1092	0	0	0	0	0	0	0	0	504	0	0	130502	0	0	0	0	2389	0	0	0	1236	0	0	0	0	1463	0	0	0	0	0	0	0	0	6410	7449	457	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	551632	0	0	0	0	0	0	0	560	0	0	580349	229276	0	39898	6239	0	8406	5400	0	0	0	0	1180	0	0	0	0	0	0	0	Peptide	0.36363637	1.7727273	0.22727273
2	C29 H43 O4 N1 S1	502.29855	502.29898	-0.37705827	502.29837	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12377	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68510	0	0	0	0	0	0	0	0	0	0	29217	3930	0	808	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.13793103	1.4827586	0.03448276
4	C29 H43 O4 N1 S1	502.29855	502.2995	-0.05224308	502.29852	479	0	0	0	0	4510	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12623	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32458	0	0	0	0	0	0	0	0	0	0	47965	4145	0	1846	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.13793103	1.4827586	0.03448276
6	C29 H43 O4 N1 S1	502.29855	502.29907	-0.30164462	502.2984	0	0	0	0	0	820	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3020	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4989	0	0	0	0	0	0	0	0	0	0	31449	2047	0	1681	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.13793103	1.4827586	0.03448276
24	C25 H43 O9 N1	502.30106	502.30164	-0.013838135	502.30106	8518	4330	5229	5721	7512	5626	45935	8147	6506	6643	2283	1735	12291	10325	7765	2837	3022	13185	14042	2806	2100	3027	4746	4638	12057	2054	23802	5668	8837	6224	6777	9660	16840	7631	4735	9124	14720	9273	2409	1576	0	4184	0	0	0	3279	0	0	6758	5462	5962	7002	7710	0	16394	3597	4708	6366	10407	945	4844	0	11980	6135	6247	22266	22135	2422	4011	0	1365	7605	8107	9910	0	5190	0	5740	6131	1788	2978	1794	28164	11691	5503	6656	4707	2415	10051	0	23997	17533	13659	1710	1528	0	8562	6165	3101	3065	4330	10513	2633	6058	6030	4076	3763	0	1265	8533	Lipid	0.36	1.72	0.04
22	C25 H43 O9 N1	502.30106	502.30167	0.014214834	502.30106	4837	4100	6909	5343	9170	4734	41065	4965	6217	2716	0	2562	6418	5019	8432	4669	4349	9794	11086	4264	2347	3148	5181	4379	9158	3869	20825	2612	11826	6650	10102	12040	9545	9390	4249	10913	11184	6364	3001	2204	0	4928	0	0	0	4953	0	0	9136	5888	3809	6905	4048	0	14970	8084	6978	8270	6308	1929	7340	0	7294	8235	6841	8949	8502	3351	0	2661	0	6236	7110	7619	2913	7186	0	5889	6732	1505	3061	0	49406	17909	4709	6656	6586	2502	7253	2837	7088	9850	10737	2176	3247	0	9122	8467	2472	7009	7608	11013	5389	8379	2799	7443	7629	0	3530	8121	Lipid	0.36	1.72	0.04
26	C25 H43 O9 N1	502.30106	502.30157	0.09488889	502.30112	9219	9081	8625	9143	0	0	8736	0	0	0	0	0	4278	2599	174767	0	157045	0	7484	0	0	0	0	0	0	0	11602	2353	0	0	0	0	0	3054	2616	0	3583	169319	165879	0	0	0	0	0	0	0	0	0	0	0	7196	8897	0	0	4319	14676	17925	0	4030	0	0	0	4285	0	2864	4934	5222	110829	39107	0	3841	0	0	0	6701	0	0	0	2952	0	2864	0	5869	0	0	0	5072	0	0	2042	13352	10967	0	0	0	0	7644	0	33325	2384	0	0	5239	0	8806	1759	0	0	17966	2435	Lipid	0.36	1.72	0.04
20	C25 H43 O9 N1	502.30106	502.30164	0.015814694	502.30106	2951	1537	0	2637	2645	4240	15357	3407	0	0	0	2693	0	1577	5168	5429	3440	2194	3300	0	0	2153	1445	0	2625	1364	11980	2790	5980	4830	3784	6119	6522	3583	0	2985	5305	4312	6118	0	0	3088	0	0	0	0	0	0	5082	2828	1932	2732	1474	0	4038	2991	2059	3192	0	1885	3860	0	2266	3050	2208	3150	1882	4639	0	0	0	3914	3990	5771	3925	5634	0	2191	1597	0	2182	0	31764	12125	2191	1990	3087	1022	3668	2774	3378	2280	2117	0	0	0	3054	2185	1432	3318	2642	5402	3829	0	2677	4232	1735	0	1212	2091	Lipid	0.36	1.72	0.04
14	C22 H47 O11 N1	502.32217	502.32297	0.10160293	502.32224	12615	9543	9301	10744	1758	0	0	3133	1726	34311	31383	0	1515	2370	3672	2152	2950	3324	0	0	1454	0	1520	0	2009	4011	2539	10365	2178	2486	2524	7752	0	0	10545	2286	1765	1179	3866	15409	12741	2111	10202	3433	5160	11727	28895	3906	0	1701	12177	10848	2237	8032	0	3924	6052	2283	470367	20260	0	43796	2075	1761	3247	2240	1205	0	0	0	2365	2544	1475	2391	4995	1840	4982	1394	3283	18793	1326	2209	1270	1508	2473	3218	1898	1586	1135	0	37580	10841	5240	3906	3546	2964	10549	9953	4028	2759	1448	3645	1524	93139	1203158	0	3310	3490	1500	2102	Lipid	0.5	2.1363637	0.045454547
18	C22 H47 O11 N1	502.32217	502.3229	0.09416197	502.32224	13875	9360	13205	11770	12648	7237	7259	4318	5864	5924	12399	8274	14203	9747	5172	3819	14521	4490	4507	2210	2063	6660	3296	3270	4929	4126	11105	13327	3361	8004	5240	4137	8709	4575	7161	4035	7488	7472	16459	6367	15836	6062	20624	18412	11753	6092	18057	16683	5326	4309	12158	11093	11996	21910	0	5362	14845	5283	28188	20094	3497	12813	12506	7092	25619	22375	32242	17393	4884	3138	8548	8517	5005	5211	1358	9873	12203	6122	7696	17592	5339	9914	9655	7306	8611	18828	5938	19757	6024	16481	13238	23192	6116	7536	5002	15444	9027	12707	10901	6620	3111	3083	7767	6912	215495	12780	5771	18823	10473	6500	Lipid	0.5	2.1363637	0.045454547
8	C23 H43 O7 N5	502.32352	502.32397	0.115891084	502.32358	0	1662	1955	2756	0	4949	0	0	1671	0	1153	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41002	0	0	0	0	0	0	0	0	0	0	0	0	0	983	0	0	0	0	0	0	0	0	2450	0	0	0	0	0	577	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2862	171879	0	0	0	0	0	0	2502	647	0	1110	313701	72971	0	8915	0	0	1581	2121	0	0	0	0	0	0	0	0	0	0	3311	0	Peptide	0.3043478	1.8695652	0.2173913
12	C23 H43 O7 N5	502.32352	502.3239	0.04455292	502.32355	0	0	0	0	0	2425	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24467	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	156670	0	0	0	0	0	0	0	0	0	0	137212	62911	0	9180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.8695652	0.2173913
6	C23 H43 O7 N5	502.32352	502.3244	0.032895885	502.32355	1562	0	0	989	0	2587	0	0	2535	0	1377	0	0	612	0	0	0	0	0	0	0	0	0	0	1286	0	602	19121	1100	0	0	0	0	0	0	0	0	485	0	1513	0	1849	0	0	0	0	0	0	0	0	967	979	0	0	11022	0	11466	0	0	0	0	0	936	14565	1775	1911	3247	0	0	0	0	0	0	0	0	0	0	0	0	52069	0	0	0	0	0	1600	0	0	759	0	140754	30523	0	3068	1109	0	932	1476	429	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.8695652	0.2173913
10	C23 H43 O7 N5	502.32352	502.3238	0.036548853	502.32355	0	2072	2755	1654	0	3047	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32655	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1347	1716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	167537	0	0	0	0	0	0	0	0	0	0	297322	96481	0	13230	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3043478	1.8695652	0.2173913
26	C26 H47 O8 N1	502.33743	502.33768	0.065517224	502.33746	0	0	0	0	0	0	56290	0	0	0	0	0	0	4214	0	0	0	0	0	0	0	0	0	0	0	0	33288	2757	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2739	0	0	0	0	0	3468	2547	9762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7215	3736	0	0	0	0	0	0	3595	2672	0	0	0	0	0	0	0	0	0	0	0	0	8054	0	0	0	0	0	Lipid	0.30769232	1.8076923	0.038461536
24	C26 H47 O8 N1	502.33743	502.3375	-0.17249748	502.33737	1047	0	0	0	0	0	48710	0	0	0	0	0	0	1737	0	0	0	0	0	0	0	0	0	0	0	1401	20226	1111	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	968	0	0	0	0	0	2917	2227	0	0	0	0	0	0	0	0	1026	0	0	0	0	0	0	13428	7326	0	0	0	0	0	0	3402	2790	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.30769232	1.8076923	0.038461536
28	C30 H47 O5 N1	502.3527	502.35287	-0.062192615	502.35266	867	0	938	0	1339	0	1477	0	895	0	0	0	0	0	0	0	0	0	0	0	0	2066	0	0	0	0	0	0	0	0	1141	858	1313	0	0	2385	864	0	1250	0	0	0	0	0	0	0	0	0	908	0	1384	0	0	0	0	0	916	1346	0	0	0	0	0	0	0	0	0	1426	0	0	0	0	0	0	0	0	0	0	5304	41060	0	0	0	0	2097	0	9847	0	0	2257	1046	3476	0	38581	1883	0	0	0	1288	2981	3864	0	0	0	0	0	2812	0	0	915	Lipid	0.16666667	1.5666667	0.03333333
26	C30 H47 O5 N1	502.3527	502.35294	0.007223198	502.3527	3566	0	2064	0	3732	0	2008	0	0	0	2450	0	0	0	0	0	0	0	0	0	0	7479	0	0	0	0	0	0	0	0	2301	0	3440	0	0	0	2107	0	8717	0	0	0	0	0	0	0	0	0	3086	0	2342	0	0	0	0	0	0	1917	0	0	0	0	0	0	0	0	0	7021	0	0	0	0	0	0	0	4960	0	0	3704	25832	0	0	0	0	0	0	5799	0	0	5191	3956	5113	0	31092	11033	0	0	0	0	2891	0	4633	0	0	0	0	4821	0	2526	0	Lipid	0.16666667	1.5666667	0.03333333
28	C22 H14 O14	503.04562	503.04633	0.24310364	503.04575	5564	6697	5685	6336	16412	7687	0	0	15053	1807	0	1891	33325	6939	2936	0	0	23986	18068	0	3245	5187	3940	0	0	0	1366	0	0	0	1546	0	1967	0	2150	0	1596	2174	0	1045	3018	2311	0	0	0	2470	4114	1714	0	0	5265	4031	10864	0	19674	12399	3821	1144	0	0	0	0	34106	12537	3689	20028	2975	0	0	0	951	0	0	0	0	0	0	0	8545	2383	9856	1386	0	0	25143	8410	4910	2573	5027	2177	0	1492	2061	6088	4526	0	6678	5433	9811	20689	22183	2968	0	0	2743	1273	13975	0	940	30988	Phytochemical	0.6363636	0.6363636	0.0
18	C22 H14 O14	503.04562	503.0465	0.29744273	503.04578	2108	0	2009	0	10043	0	0	0	0	0	0	0	12886	3244	0	0	0	2806	0	0	0	5991	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1177	3879	585	0	0	0	0	2479	0	2825	8026	2928	0	0	0	0	0	21725	8546	1775	8319	1401	0	0	0	0	0	0	0	0	0	0	0	1908	2238	1158	2885	0	0	13874	0	2066	1797	1166	0	0	0	0	5248	0	0	0	2105	8543	15747	8163	0	0	0	2764	0	6355	0	0	17820	Phytochemical	0.6363636	0.6363636	0.0
22	C22 H14 O14	503.04562	503.04648	0.34302178	503.0458	2160	3022	1903	2105	12375	3585	0	0	13345	0	0	0	18090	0	0	0	0	7957	8682	0	0	6124	2578	0	0	0	2360	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1475	2957	0	0	0	3715	2351	5553	266	10599	9079	3177	0	0	0	0	1807	28534	11210	3248	12222	1187	0	0	0	0	0	0	0	0	0	312	0	1930	1769	3604	2315	0	0	15273	4556	0	1339	1362	0	0	0	0	9171	4052	0	0	4358	6737	17472	15370	0	1250	0	3694	0	12187	0	0	21359	Phytochemical	0.6363636	0.6363636	0.0
26	C22 H14 O14	503.04562	503.0462	0.14716674	503.04572	4487	3852	4677	5194	13606	5349	0	0	12569	0	0	0	28851	7924	0	0	0	19738	14669	0	0	5069	0	0	0	0	0	0	0	0	0	0	0	0	1779	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4737	4871	5194	0	13633	15954	3299	0	0	0	0	0	34084	15179	2331	15651	4121	0	0	0	0	0	0	0	0	0	0	0	6831	0	7796	0	0	0	25451	0	3504	3240	2624	1666	0	0	0	5825	6882	0	2565	0	6679	21583	18125	0	0	0	0	0	10844	0	0	28530	Phytochemical	0.6363636	0.6363636	0.0
24	C23 H18 O13	503.08203	503.0827	0.14468862	503.0821	6648	8376	7548	7161	23476	11244	0	0	21028	11827	4578	1244	40223	7812	2467	0	0	31774	23931	5765	7248	17918	8229	0	2113	1464	1198	1117	0	0	0	0	1744	0	18916	0	0	2585	0	4596	3926	0	0	0	0	11226	13110	0	949	0	8051	9533	12065	0	24265	18989	5350	1157	1662	1449	2657	3718	46467	21335	4855	26515	5914	0	3743	3192	4075	0	0	0	0	0	0	1911	11491	8898	12393	11964	0	1491	24235	15771	4939	3456	5502	0	2289	3378	3180	18278	26338	0	11400	8166	11681	21537	26402	1279	1973	2188	9805	1262	15716	0	3025	42507	Phytochemical	0.5652174	0.7826087	0.0
16	C23 H18 O13	503.08203	503.08282	0.2212331	503.08212	22048	19134	16727	19127	44167	18429	2425	2596	51456	37979	24233	3312	84819	12125	7961	2836	0	50809	49897	20224	28112	65007	14800	5459	2403	3353	2863	5330	0	1375	2467	0	4145	1217	70436	1881	5550	4862	2050	7958	25738	6787	600	0	0	28083	54016	602	1976	0	19937	22706	24642	0	45953	43965	18164	3390	3237	4476	0	13970	84211	40253	15299	58704	17722	3536	6636	5383	12007	0	1268	0	2231	0	0	5435	21896	34789	19884	40100	1552	5252	67485	19155	14517	12322	15114	0	0	7370	0	71546	55199	0	22970	12868	43155	61156	67739	3993	3532	3713	38860	0	43904	0	4863	85675	Phytochemical	0.5652174	0.7826087	0.0
20	C23 H18 O13	503.08203	503.0828	0.24049728	503.08215	17649	18459	22074	15797	39948	26808	1751	0	43353	23730	13525	3144	91679	17532	11953	3018	1745	53685	35584	15962	19653	52367	8534	3828	3513	2405	2184	3641	0	0	0	0	5644	0	39385	0	3170	5085	0	13128	9396	6147	912	0	0	30166	36585	1162	0	0	22424	19093	24670	0	48103	38730	17464	4817	3752	2011	3208	13909	88646	47294	14855	50389	10261	1774	6985	3256	12383	0	0	0	0	0	0	2637	21539	29473	16858	29446	3219	0	59312	21778	18798	7415	11176	1942	3056	5972	3854	50603	38052	792	19176	16383	42302	55119	48565	4860	3353	4346	28530	3648	40426	0	4018	77633	Phytochemical	0.5652174	0.7826087	0.0
28	C23 H18 O13	503.08203	503.0827	0.19980317	503.08212	7159	6508	7171	6514	15168	8194	1144	0	14257	11683	1735	2302	33913	7169	3533	0	0	23290	18519	5102	6769	9705	6655	3053	2637	0	1475	1203	0	0	0	0	1553	0	12851	0	1509	3576	0	2787	2924	2413	0	0	0	4260	8282	0	0	0	7801	4666	8056	0	20952	14298	4864	1654	1195	1481	0	3556	27650	15194	4296	18126	3308	1412	0	3650	3922	0	0	0	0	0	0	1388	10346	5316	9177	3936	1129	0	21796	8399	5157	2264	3345	1022	1958	2535	1824	8994	14937	0	6154	4923	11992	13370	17476	1831	1011	0	7540	1281	11050	0	1525	24880	Phytochemical	0.5652174	0.7826087	0.0
26	C23 H18 O13	503.08203	503.08282	0.20262066	503.08212	5793	7411	3299	7685	16694	7873	0	0	17753	12398	2773	0	36754	9913	0	0	0	25390	23679	5531	6580	13765	0	0	0	0	2290	0	0	0	0	0	0	0	12841	0	0	0	0	3298	4319	0	0	0	0	7528	6896	0	0	0	7385	5751	8095	0	23830	20880	7751	0	0	0	0	5837	32326	15777	4470	20293	4166	0	0	3360	3462	0	0	0	0	0	0	0	9636	7459	9601	6055	0	0	18157	11716	7783	3057	5657	0	1524	2628	5125	13149	19636	0	7952	9708	10058	16027	15678	0	0	0	7992	2304	16884	0	0	36065	Phytochemical	0.5652174	0.7826087	0.0
18	C23 H18 O13	503.08203	503.08276	0.18655175	503.08212	23249	25110	22595	20353	56684	23954	3456	3002	48936	42118	23613	4560	92529	20387	9320	3454	1385	50333	55373	20475	33393	65680	13784	5417	2666	0	1797	7060	0	0	2253	0	6457	0	56445	2993	4175	7726	4508	8803	16396	6771	741	0	0	28461	52352	653	2417	0	25656	26453	33940	0	58980	51501	19085	5056	6733	4145	4520	19561	100215	52285	21885	67245	16259	1924	12407	6723	9025	2015	0	0	0	0	0	1809	27192	38860	20911	42792	1716	9011	64570	27060	18934	11312	16128	3077	0	6983	5771	69133	51919	0	23532	19912	51967	75414	55337	4280	3838	3809	40935	4179	44753	0	3330	88556	Phytochemical	0.5652174	0.7826087	0.0
10	C23 H18 O13	503.08203	503.08307	0.2513328	503.08215	4290	1418	0	3666	12327	3496	0	0	17605	9205	5384	0	18881	3334	0	0	0	7945	10521	4402	5396	11676	0	0	0	0	0	0	0	0	0	0	0	0	10300	0	0	0	0	0	8232	0	0	0	0	0	14224	0	0	0	4544	0	5806	0	8193	12573	5554	0	0	0	0	1209	24990	10802	4022	15318	0	0	0	0	3294	0	0	0	0	0	0	0	2856	0	4950	6448	0	0	22457	2936	2252	2410	0	0	0	0	0	18997	6082	0	2396	3546	12088	30557	17214	0	0	0	0	0	11703	0	0	15051	Phytochemical	0.5652174	0.7826087	0.0
12	C23 H18 O13	503.08203	503.083	0.2670158	503.08215	7097	6966	4688	6415	11358	5039	0	0	14155	10733	9611	1016	19358	2674	906	0	0	11749	12707	6512	6972	22905	2020	0	0	0	0	0	0	0	0	0	1619	0	22689	0	0	2728	0	1671	8284	1116	348	0	0	8897	19300	0	0	0	5658	6193	6577	0	10777	15411	5091	0	0	0	0	2753	30048	16744	4960	15732	3237	0	0	2062	2225	0	0	0	0	0	0	0	7492	0	4490	9410	0	0	21159	9183	4894	5242	4187	0	0	0	0	25451	15162	0	5678	4307	21484	24088	18922	0	0	0	0	1646	14513	0	0	27375	Phytochemical	0.5652174	0.7826087	0.0
22	C23 H18 O13	503.08203	503.0828	0.29370752	503.08215	7257	13616	6441	11960	27172	19161	3789	0	37240	16886	5545	1331	61648	10921	4166	0	1724	41718	19093	5430	9781	27864	8043	1989	1988	2954	1882	1674	0	0	1297	0	3903	1193	23612	0	2290	4272	0	5065	4984	2469	0	0	578	13182	30955	0	0	0	11212	9933	17488	0	32783	31569	10085	0	3033	0	1939	7113	60395	27908	7984	37239	7399	0	3628	0	3938	0	0	0	0	0	689	1441	19560	16908	14619	20142	0	3171	39894	20212	14199	4301	4679	1289	2221	4143	0	32748	23216	0	11325	9203	25977	42013	36686	1456	1646	1202	19976	2010	26785	0	2178	61125	Phytochemical	0.5652174	0.7826087	0.0
14	C23 H18 O13	503.08203	503.0829	0.203315	503.08212	13712	13274	13267	13966	28052	11337	1982	2153	28967	24583	21646	1614	52431	8935	2722	0	2615	21507	21038	12764	21616	54811	4112	0	1842	1434	2131	0	0	0	0	0	2259	0	46950	0	5519	3899	1324	9203	25152	5952	0	0	0	14854	44519	0	0	0	14677	11682	18027	0	30849	27329	10973	3169	0	0	0	11384	69935	35463	9514	39005	4448	3087	0	2976	7190	0	0	0	1247	1060	0	3341	15065	22675	11968	23418	0	4157	40607	12823	11439	11370	8897	0	0	2841	2227	65561	33277	0	19426	9150	33082	48801	43045	1997	3145	2336	38256	3444	28699	0	2821	43933	Phytochemical	0.5652174	0.7826087	0.0
14	C22 H18 O12 N2	503.09326	503.09418	0.19575478	503.09335	4914	2800	1884	2524	8028	1303	0	0	9322	5452	3089	1334	14750	1529	1686	0	0	2787	2352	3187	8987	14358	2038	0	0	0	0	0	0	0	0	0	0	0	13426	0	1569	0	0	3858	14230	1521	0	0	0	8314	21626	0	0	0	3750	3663	3049	0	7466	8730	1286	0	0	0	0	2842	20320	5758	3491	6922	1351	0	0	0	0	0	0	0	0	0	0	0	2581	0	0	9941	0	1645	3871	2828	3245	1981	0	0	0	2196	2272	21784	8774	0	2257	3294	3072	8380	8083	0	0	0	0	0	4731	0	0	16087	Phytochemical	0.54545456	0.8181818	0.09090909
16	C22 H18 O12 N2	503.09326	503.09402	0.18295701	503.09335	6083	2356	3085	4130	5628	1881	1451	0	7646	7729	4213	0	14243	2100	0	0	2113	4868	6775	0	12865	16585	1987	0	0	0	0	0	0	0	0	0	2117	0	8080	0	0	0	0	5465	12242	0	0	0	0	10157	29906	0	0	0	2367	4738	4843	0	7996	7136	3352	1578	0	0	0	9353	16759	9566	1965	8546	1775	0	3118	0	0	0	0	0	0	0	0	0	0	12837	3429	14218	0	2909	13951	3544	4228	2298	2714	0	0	1951	0	22915	18193	0	0	3718	4855	9264	8975	0	0	0	14669	0	6940	0	0	16003	Phytochemical	0.54545456	0.8181818	0.09090909
18	C22 H18 O12 N2	503.09326	503.09412	0.2796034	503.09338	3360	4427	2251	3481	4284	2158	0	0	6657	4576	2038	0	13700	1316	1821	0	0	4423	6101	2711	7532	18638	2261	2497	1442	0	0	0	0	0	0	0	0	0	6815	0	0	0	2729	4490	9469	2159	0	0	0	12922	25508	0	0	0	3109	3001	3182	0	6318	4998	3296	0	0	961	0	6654	13745	6507	2077	7130	1271	0	0	1875	4745	0	0	0	0	0	0	0	2850	11205	0	14607	0	0	6462	2974	1786	2921	1703	3198	0	2791	4088	19814	14051	0	2716	0	3079	5852	4679	0	0	2033	10146	0	4207	0	1574	8585	Phytochemical	0.54545456	0.8181818	0.09090909
20	C22 H18 O12 N2	503.09326	503.09396	0.10897344	503.0933	1881	2823	1642	2255	5932	1701	0	0	3373	2272	0	1364	9494	2043	0	0	0	2831	4155	2165	5141	10086	2057	0	0	0	1199	0	0	0	0	0	1662	0	10509	0	1603	0	0	2671	4378	1678	0	0	0	7124	22300	0	0	0	4471	1865	2933	0	4485	0	2014	0	2171	0	0	4636	8152	5843	1188	0	0	0	0	0	0	1236	0	0	0	0	0	1881	2080	8953	1841	10915	0	0	2851	1107	3789	1377	1458	0	0	0	2310	16253	9014	0	0	1688	4299	2207	3564	0	0	0	14404	0	3869	0	0	4947	Phytochemical	0.54545456	0.8181818	0.09090909
10	C20 H22 O15	503.10315	503.10413	0.46169794	503.1034	0	6765	5223	5565	16353	0	2028	0	17004	0	0	0	34830	0	0	0	0	16905	18348	0	3678	8046	0	0	0	0	0	0	0	2820	0	0	0	0	6285	2074	3285	3483	0	0	8292	3585	1202	1390	1164	5360	8265	1614	0	0	7650	11958	6024	1606	9396	11077	7188	0	0	0	0	0	28728	15093	8882	17487	5061	0	0	0	0	0	0	0	4581	0	1528	0	5037	0	2940	5700	0	0	19293	3822	4914	3900	4905	6723	0	0	0	8946	0	0	3780	6858	13245	23124	19341	4836	2364	0	0	0	10119	1752	0	21555	Phytochemical	0.75	1.1	0.0
14	C18 H22 O11 N4 S1	503.10785	503.1085	-0.43571737	503.10764	3241	4154	0	4129	4404	5612	0	0	11570	7339	0	3576	20932	0	2129	0	0	7110	6343	2871	4993	15607	2544	0	0	0	1360	0	0	0	0	0	1501	0	12201	0	0	0	0	4384	4823	1874	0	682	737	3433	13029	0	0	1118	2567	4007	6418	476	6585	8663	3753	0	0	0	0	3762	19849	16095	3286	6993	4201	1655	0	2246	3059	0	0	0	1273	0	296	1680	3684	0	1432	7400	0	0	7525	3115	3193	0	3889	5184	0	0	1995	12280	12064	700	5355	4005	9238	10459	8756	2327	1370	0	0	1557	5880	555	0	19643	Peptide	0.6111111	1.2222222	0.22222222
18	C24 H22 O12	503.1184	503.11914	0.14433724	503.11847	82461	82881	77691	73468	101722	67557	19038	16471	109087	246330	97777	15129	184996	49695	33109	18522	9803	111161	115518	140629	125248	171384	45358	24969	26500	55081	15601	53660	18209	12019	20280	17506	30400	8694	284281	13367	30677	32036	11915	101446	61338	25605	2224	405	0	135172	147571	0	20031	10475	71317	78992	67706	0	121435	82078	46430	23906	25196	13246	21194	67094	194039	93123	40870	110134	49729	11595	53198	88931	95167	14878	13676	12254	11984	13637	0	19359	60221	87298	53899	142788	21138	55839	112038	52674	54838	32399	37317	21489	28297	48058	36568	114351	195026	0	77133	68470	91778	95506	78525	20563	15432	24948	105674	26259	79700	0	21758	151633	Phytochemical	0.5	0.9166667	0.0
26	C24 H22 O12	503.1184	503.11914	0.18772304	503.1185	6539	7696	6466	6513	16825	7579	2131	0	18868	27026	4965	0	37868	7749	0	0	0	21130	17027	12875	15620	19309	0	0	0	4937	0	2806	0	0	0	0	0	0	31479	0	3316	3581	0	8201	4973	0	0	0	0	18809	17492	0	0	0	9010	6269	8515	0	20412	18013	6221	1953	0	0	0	3387	27033	16574	3278	15447	3755	0	7143	14045	10598	0	0	0	0	0	0	0	9836	9672	8445	12332	0	5319	17479	10408	4289	0	2211	0	1999	3009	0	17117	28337	0	6817	6656	8005	15053	16729	0	0	0	9045	2277	11995	0	0	29788	Phytochemical	0.5	0.9166667	0.0
16	C24 H22 O12	503.1184	503.11914	0.14284861	503.11847	73346	76558	66095	65536	87074	50207	20154	20180	104347	224652	100952	13153	142244	41449	29647	19846	11557	114224	116555	129845	129969	167749	35870	27587	21609	54906	16567	52706	22401	10958	15340	22103	26119	19878	280767	16372	27236	30518	14755	80668	81810	24833	1510	0	0	127940	160875	387	25649	17417	59806	62407	58513	0	96264	76098	38882	26460	32984	15910	16184	65552	144672	73831	33666	101774	40542	18029	56643	84691	88311	18303	13748	9431	14927	16788	0	20085	61622	113457	37550	134917	16105	50300	95581	47922	47406	24898	33752	27567	31132	40786	49770	136012	159154	576	64149	68170	88151	81110	87008	25828	16658	23814	107628	23682	70998	382	23954	142363	Phytochemical	0.5	0.9166667	0.0
22	C24 H22 O12	503.1184	503.11914	0.19599253	503.1185	26127	28995	25699	20749	50410	34316	3504	4179	50461	97850	24958	5159	66481	18289	11855	6146	3334	60714	40445	46149	48103	57040	13308	6833	7004	24456	4536	16162	2957	2781	4707	0	8611	4097	93565	1400	9898	13227	3925	33102	23663	8811	0	0	0	60378	57842	0	5789	2909	29027	29746	32876	587	59874	41747	17163	8410	7130	2753	6420	26148	85199	39796	15241	54145	11996	2115	20667	36088	39697	5310	3202	1195	2058	2877	516	5889	25098	33021	24596	54877	4140	21611	52293	29439	22195	8146	10181	5843	12919	15211	8502	58921	77428	0	25075	28085	42746	52270	45981	6167	4294	9009	49653	7592	44780	0	5351	84629	Phytochemical	0.5	0.9166667	0.0
24	C24 H22 O12	503.1184	503.11908	0.2134976	503.1185	12102	12846	14899	14329	24078	12660	1801	1791	31715	45479	10595	3469	52304	9924	5891	4604	0	30462	24423	24505	25768	34623	9271	1683	3515	15041	1465	8863	0	0	1855	1056	3333	0	50684	0	4178	4512	0	17401	10001	2690	0	0	0	29847	28361	0	1584	0	11752	12013	12796	0	34018	22614	9920	3641	3519	1622	3210	10747	44269	26833	4623	25298	3807	0	14678	23802	20480	969	1205	0	0	1115	0	2077	14552	19618	12282	25285	2920	9019	33780	15067	13440	3132	5115	0	4205	6226	5638	25608	40750	0	12827	11929	21381	25174	23468	2592	2258	2313	17257	2079	22083	0	2114	43807	Phytochemical	0.5	0.9166667	0.0
28	C24 H22 O12	503.1184	503.11908	0.22419131	503.11853	7139	7011	5607	5518	11440	6273	1276	0	10475	15278	2999	0	22669	6464	0	0	0	14511	12372	10871	10758	9308	3669	3348	2742	5526	0	2856	0	0	0	1097	1705	0	18033	0	1544	1777	1391	6694	4890	0	0	0	0	9054	10025	0	0	0	4650	5376	6523	0	14269	9060	3580	1946	1162	0	2027	4025	18622	9688	2821	11768	2057	0	5352	9056	10041	0	0	0	0	1339	0	1274	7815	7468	5450	8938	1427	3133	13593	4515	4249	2018	2644	1189	3090	4024	0	7468	11724	0	6658	4278	7195	9979	9847	0	0	2881	6386	1647	8774	0	1218	16517	Phytochemical	0.5	0.9166667	0.0
14	C24 H22 O12	503.1184	503.1192	0.13704087	503.11847	58281	49567	51719	45129	47563	33950	17300	16268	67305	173359	94740	13260	78280	22015	18918	20691	11078	55112	59527	89764	88292	118014	24898	18429	9997	37643	13070	46402	11794	10017	13400	18651	20819	11280	200052	10798	19347	20667	14809	52347	74003	15166	0	0	0	93718	132472	0	14793	12032	45439	51861	33915	0	66825	50894	27335	17853	26430	21316	0	42908	86319	58614	26106	59891	23444	13865	58196	62358	63282	18341	15359	7050	9034	11546	0	15182	46307	91385	32874	89383	12727	33161	59307	33722	35937	22151	24552	27004	18853	24061	22238	112454	115351	0	46702	40248	55114	63440	64161	17707	13113	19505	125145	18560	48931	0	15134	73422	Phytochemical	0.5	0.9166667	0.0
10	C24 H22 O12	503.1184	503.11932	0.27171955	503.11853	7958	7615	5374	10542	11081	4748	2137	1239	11880	27462	15285	6334	14082	3186	2810	6395	3598	11033	13059	15641	21998	10114	5496	6095	1718	9057	1756	7779	1849	0	3011	3178	3703	2865	37022	1849	3433	3518	5593	8712	19496	3287	0	0	0	15874	27521	0	2711	3276	7244	8350	7900	0	11150	9638	4545	3378	0	5514	0	7695	17046	10472	3697	8991	4215	5114	11246	10692	16101	3079	3015	1475	3964	3071	0	1621	7562	10520	9067	11984	3607	3872	13464	5171	5979	3917	4107	6374	0	4089	5622	17478	19706	0	7613	8803	12461	15173	16650	3740	2989	3295	0	3608	10461	0	3314	15143	Phytochemical	0.5	0.9166667	0.0
8	C23 H22 O11 N2	503.12964	503.13055	0.24327663	503.12976	6709	3232	5256	4177	6128	1918	630	1677	5679	15120	8423	2070	11264	0	0	2369	3024	5275	6068	8450	13533	16660	1595	1810	955	1651	1230	1777	1498	1745	1153	1212	2582	1373	25761	1307	2289	1424	1325	9127	13893	1918	0	0	0	11543	24366	0	2077	1566	3740	4097	2665	0	9087	4989	2158	2087	0	2830	0	8061	13159	7476	1796	8199	3102	2669	4399	4210	8340	1332	1145	786	3287	1633	0	1466	3502	4186	2419	6620	872	3463	7504	0	2753	3063	2438	3894	0	0	3136	12532	14015	0	6592	4215	4665	7067	6896	0	1767	0	8396	1612	3726	0	1028	10454	Phytochemical	0.47826087	0.95652175	0.08695652
20	C23 H22 O11 N2	503.12964	503.13043	0.27303424	503.12976	8428	7020	10813	8956	9493	4508	2416	2520	9295	27478	9801	2849	15687	2384	3159	0	3141	6270	11423	12127	14739	25922	4028	5002	6351	1362	1899	3822	2381	0	0	2511	5308	2035	28988	1433	0	1875	3309	18809	16363	3693	0	0	0	27978	30401	0	3823	1796	7273	10021	6713	0	8783	10472	5262	2549	0	1753	3861	12599	21982	8015	3534	10512	2355	0	5724	10193	3915	2258	1455	0	0	0	0	3611	5003	18791	4139	25638	0	10736	10360	8507	7898	3307	5278	6666	6094	7811	9041	24247	30372	0	8917	7489	7511	9743	6312	4760	1291	5702	23624	4327	5933	0	4773	26067	Phytochemical	0.47826087	0.95652175	0.08695652
14	C23 H22 O11 N2	503.12964	503.13046	0.17881033	503.12973	18941	23864	21681	22990	22735	12104	6615	8802	23556	61456	34085	9444	45161	9142	5660	10378	8189	31104	26016	40913	57991	73024	10976	14173	5453	10603	5213	13946	6513	5756	7366	10808	12710	7149	88380	6395	10099	10381	8195	48528	57772	8085	0	0	0	61081	77358	0	8161	4855	21141	20436	16521	0	38216	26091	8288	13272	9166	7732	0	36493	49318	28977	9685	29557	15640	8816	25106	27522	33860	7026	6548	2130	7267	5461	0	4136	16769	30524	12826	43106	5314	20574	20129	9217	15688	7232	11199	15213	12729	17672	28678	58603	59107	0	20876	24426	15380	23685	27546	14896	6425	9191	51536	11372	19526	0	6743	38263	Phytochemical	0.47826087	0.95652175	0.08695652
12	C23 H22 O11 N2	503.12964	503.13052	0.1882187	503.12973	17388	20964	18858	15864	18339	7236	0	7598	25789	52060	18668	5919	24653	6444	5904	9315	8118	20493	21832	32752	48152	54862	7577	7621	5763	7574	4670	0	5907	4116	6608	6160	9579	7233	76109	2950	7321	5551	9894	35466	56214	6115	0	0	0	48571	75257	0	5895	5282	16673	19054	13713	0	24522	15901	8658	9606	5677	10123	0	33447	38092	21500	5518	26973	9852	6146	0	14405	27914	4431	3799	2736	3155	5605	0	3706	15811	23811	9463	36103	4589	14326	22638	9189	16373	6812	9602	22365	8169	12473	16278	44704	38420	0	19809	14219	14415	20105	19916	5022	3938	8640	41444	8454	14578	0	6740	40217	Phytochemical	0.47826087	0.95652175	0.08695652
18	C23 H22 O11 N2	503.12964	503.13043	0.22959104	503.12976	15511	15265	16432	12978	16105	9710	4028	5738	14957	39454	14171	5229	31927	5553	6882	9285	3227	23807	23779	36241	34746	48767	7346	8648	7412	6401	4608	8031	6568	3571	4367	2914	7362	5267	49400	3918	6739	3561	9657	36100	26460	7564	505	0	0	39694	47783	0	5539	3868	14058	15865	14975	0	23908	15676	10988	7822	8094	4994	5492	31719	34820	18632	6220	20202	9794	4461	9856	13855	15460	2859	3937	1683	1512	0	0	5229	8121	32307	11200	32821	4289	17743	24917	7817	11361	8757	6262	7912	10982	20774	18391	38120	53917	0	17317	13945	11436	20782	16585	6005	6259	5304	43204	6721	11383	0	5722	32055	Phytochemical	0.47826087	0.95652175	0.08695652
10	C23 H22 O11 N2	503.12964	503.13055	0.24392383	503.12976	28568	26560	18410	16776	28323	12746	5628	11069	31187	71514	34846	11140	55206	5998	7786	12560	7880	33724	28641	35913	59320	62796	15240	11580	4620	11138	6532	7950	3812	3628	4472	10370	12448	6536	91258	5176	12472	7052	9458	42282	63152	9346	0	0	0	45450	87894	0	8900	7260	21856	24746	17378	0	31574	28053	11224	10584	5416	10734	0	31862	58415	29294	5516	38820	13814	10050	24780	28208	38338	6001	5972	1918	7369	6380	0	7426	22144	28706	10554	38803	5040	19022	38954	8867	16428	9728	8984	23043	0	11392	22300	59649	49372	0	16646	26124	21865	31171	35565	7620	5414	14096	46658	9806	21260	0	4698	43099	Phytochemical	0.47826087	0.95652175	0.08695652
16	C23 H22 O11 N2	503.12964	503.13043	0.17684218	503.12973	23416	25052	17037	25829	26422	12795	6936	10283	29301	65120	23986	4934	47843	9237	6400	11101	6079	24158	24834	38516	49758	61632	14087	14717	3811	13498	5739	12048	7937	4304	5943	4417	10534	7360	86003	3794	14152	9577	10165	44995	40174	7289	649	0	0	53342	72719	0	10198	3732	23191	19960	16313	0	37507	24771	12370	13491	12220	5767	7624	31839	51755	24931	8784	28201	11988	8340	16438	22016	24337	5003	4228	2937	5648	6495	0	5968	12537	34795	10454	46083	7352	21810	24245	13275	16251	10793	9972	0	10485	16128	0	49957	60090	0	26467	27003	17125	25746	26569	13451	4870	13272	41287	0	16622	0	12400	51563	Phytochemical	0.47826087	0.95652175	0.08695652
14	C25 H26 O11	503.1548	503.1556	0.13824078	503.15485	91743	85586	90767	81618	63704	42869	52733	53425	77718	497370	138323	42334	65608	43034	49201	68765	43611	64353	66826	175574	313212	129939	52127	68308	33442	127303	48075	104486	38189	51263	52133	58251	51158	44013	535456	44817	51128	50380	48903	232898	142393	30361	0	0	0	136846	180800	0	63955	53195	80951	88608	46520	0	73037	49641	31973	68777	76776	52274	55783	86717	79918	64781	29529	58859	45762	44000	132233	152574	162736	50499	43097	46758	38672	56975	0	45654	78142	82724	61328	108144	48849	86487	68772	44289	62980	40354	45280	70928	45014	52673	68201	100930	115759	0	83855	72865	66474	60216	60742	50101	44494	83496	137755	48125	53222	0	48265	69938	Phytochemical	0.44	1.04	0.0
26	C25 H26 O11	503.1548	503.15552	0.19788684	503.15488	12687	10390	11166	12473	25897	9235	2490	0	27364	50232	13117	3590	40728	11201	6499	7442	0	28722	23181	33187	30700	24522	10240	9538	0	22241	0	9891	0	0	5779	0	5831	3448	49824	0	6875	5517	0	21709	15586	0	0	0	0	23748	29184	0	4195	0	15335	11300	11209	0	30928	20038	7930	6237	3237	0	4994	14806	36793	25483	6572	28141	10315	4190	16977	46331	37002	4495	0	0	0	0	0	3794	14537	11720	12194	12507	3932	11536	26869	10588	11404	6198	6575	0	7746	5861	0	19520	35655	0	12369	17997	15223	25096	29801	0	0	0	17629	4064	16606	0	5174	37674	Phytochemical	0.44	1.04	0.0
16	C25 H26 O11	503.1548	503.15555	0.12928757	503.15485	140259	137834	119681	144533	112942	83065	64783	83306	148810	819018	201564	57794	159865	61684	77452	85874	50909	145747	159745	277058	272128	193096	87548	88819	60793	189319	62056	146935	82352	70957	85747	81530	100188	65064	1007828	77057	89853	71309	67597	395344	154733	51533	2682	0	0	438048	225891	0	99584	75175	141520	131816	101215	0	130682	99636	66346	97157	85921	63936	91681	131226	179103	118406	55919	127922	78133	65735	191840	296844	252958	89883	80959	73762	59052	81949	0	62740	116579	119512	81489	191524	77079	143724	135723	73845	95654	46189	68907	67363	95820	108325	83565	143829	416120	0	145487	121422	119977	107123	99069	73295	54063	83165	179937	91812	102567	0	68485	157296	Phytochemical	0.44	1.04	0.0
28	C25 H26 O11	503.1548	503.15546	0.20371354	503.15488	9748	7664	6257	6798	11837	8147	1955	3347	12463	23084	7148	1675	23643	4635	3243	4742	0	17253	13321	17960	15522	11908	4997	3483	3005	10831	2981	7483	0	0	2129	1721	2292	2116	28158	0	3079	3161	2686	7926	7579	0	0	0	0	9984	11625	0	2862	0	10148	5904	7977	0	16354	11230	3331	2861	2647	1889	3232	5235	20216	9702	3715	13613	4780	1410	13824	27187	22797	1351	0	0	0	1401	0	1369	8848	7055	7190	6998	2705	6443	12759	5888	6241	3030	3243	1620	2900	5293	6066	8032	15224	0	7075	8482	8570	11906	10373	3123	1754	3364	4503	3425	8224	0	2893	16887	Phytochemical	0.44	1.04	0.0
24	C25 H26 O11	503.1548	503.1555	0.15494145	503.15488	29714	36708	29639	32659	39097	29413	4861	9771	50466	101466	34754	8058	80093	19341	14112	15267	2593	51779	51256	56423	54633	41912	19751	12647	12910	44646	5566	26929	6795	6437	7764	5751	12802	8540	114866	4273	16145	13012	5329	39179	34466	7248	0	0	0	50108	51378	0	7296	6042	35225	29164	29511	0	47964	38938	15153	13389	11253	5511	9725	32079	68398	39795	13756	46493	16499	6605	40441	73614	75673	6883	4721	7947	5425	5251	0	9671	31564	31124	22825	41746	6802	28829	57024	25200	21672	13033	13214	6777	16379	17125	16205	32472	59709	0	31262	31085	37830	43029	43165	6508	7402	13519	38317	13435	32920	0	8556	72100	Phytochemical	0.44	1.04	0.0
20	C25 H26 O11	503.1548	503.1555	0.13841128	503.15485	139722	146377	139226	110543	156974	99314	42079	67723	180321	444085	176205	40934	246352	92021	77475	67929	29591	175487	185310	321406	255107	219293	81362	82414	63130	192030	43323	127042	52339	49057	64460	49308	78131	49520	523889	49049	89972	55518	38524	199279	125692	49222	4409	691	398	233805	205281	644	55760	49501	131196	138589	102440	356	181032	134854	62143	73894	73756	35781	64808	134542	224272	140873	68332	161549	80595	39565	162756	313990	233439	64757	57139	39248	30326	44466	0	50800	109039	94771	76070	162867	49207	166655	154888	91048	85064	49335	70417	45150	94600	106829	88434	140451	186984	713	137676	128186	143218	128026	124487	61920	48287	78812	161997	60568	123052	768	54175	239720	Phytochemical	0.44	1.04	0.0
8	C24 H26 O10 N2	503.16602	503.16693	0.14565986	503.1661	14148	20023	13306	14432	10135	7340	6186	7515	12919	44421	22461	5430	17120	4130	6306	13877	7739	9635	13541	34420	44393	30066	7712	13099	5503	10900	4482	7926	6755	5869	6360	6128	9676	6315	53651	6355	9893	6252	12588	28114	33619	6510	0	0	0	23850	33161	0	8654	8228	12688	14432	7497	0	14107	11163	5508	10845	6170	13971	9435	19791	22976	13106	5018	11903	7086	10009	19003	21594	23407	7254	6651	4581	7266	7415	0	5711	10200	17089	7002	15068	6678	14501	12693	6293	9783	5849	6944	19654	11693	13052	17800	21616	35287	0	13118	14947	9175	12413	11678	11114	4464	11679	12886	9825	7533	0	9980	15769	Phytochemical	0.41666666	1.0833334	0.083333336
20	C24 H26 O10 N2	503.16602	503.16678	0.20553863	503.16614	17639	18671	18361	12261	13143	11358	10161	10256	19969	51265	20660	7300	21391	12713	12999	11211	6885	25007	24533	26540	31811	34517	13314	15356	12999	8130	6691	13885	7837	7663	6955	8673	12926	11014	53793	6481	12445	7909	6402	37359	23824	5883	0	0	0	35996	22824	0	10802	8775	23930	16310	13092	0	25327	14817	5870	17525	13447	4515	16141	20179	17969	12976	7579	15010	13005	7999	9295	20072	16253	7846	8032	3437	5332	7660	0	5765	13759	21971	13786	22616	8952	20462	13458	10221	17704	10191	12567	10188	15137	24298	28054	19262	25956	0	16031	18396	13132	11897	17147	9994	5983	14020	21280	12871	16007	0	12457	27059	Phytochemical	0.41666666	1.0833334	0.083333336
24	C26 H30 O10	503.19116	503.19183	0.12180775	503.19122	83496	77891	83945	79116	104304	68419	27111	53705	107125	231462	100201	32519	170497	55551	53147	57650	30622	124517	124843	179531	170654	90064	73776	60958	43221	142954	27466	79988	47115	35375	43498	44709	53615	40546	256755	38054	76154	40550	33638	115696	76005	38791	1939	0	0	111201	87519	0	52890	44153	88229	84012	69874	0	123411	83308	47097	53800	50145	23993	57518	73884	148380	90789	36276	120100	55347	28783	139332	254449	202395	47204	42309	37849	29393	33940	0	41892	93502	38552	75735	70103	32928	73606	120549	56416	69821	35998	45172	38694	43262	55762	79840	54951	93677	0	90093	71302	72624	89718	99779	49643	31065	64786	69095	49717	83921	0	39461	149198	Phytochemical	0.3846154	1.1538461	0.0
28	C26 H30 O10	503.19116	503.19186	0.099812776	503.19122	13709	12057	12102	14309	17443	9914	3251	7594	18461	39220	12589	3264	30360	10448	7531	10045	5589	19726	22126	27723	26937	16472	10692	10322	4990	27407	3165	13004	5702	5445	6720	4090	8081	5532	33982	4726	9567	7291	3936	17083	13955	5818	0	0	0	12599	13058	0	5214	6909	12957	12539	11262	0	19636	17993	6073	9065	5372	3243	8334	8749	24751	13669	5847	23232	10817	3736	27297	49520	42433	4698	2926	3721	6241	3467	0	3609	16155	9161	9729	6791	5475	11294	20362	9480	13028	5260	5586	4799	8450	9630	10388	10332	15993	0	10414	13578	12046	14828	17568	5638	3767	8574	9996	6687	9434	0	4256	23675	Phytochemical	0.3846154	1.1538461	0.0
14	C26 H30 O10	503.19116	503.192	0.10589545	503.19122	109776	101272	89863	86914	54630	44394	75127	89300	63290	156996	118266	69535	57286	35092	63477	107151	76896	61162	72755	150975	135147	99932	70341	99654	48929	136562	65069	103933	64285	77450	76012	92749	76505	57691	154539	81230	73000	66997	74582	189040	142203	38144	0	0	0	96261	113432	0	82546	75253	98192	93920	49152	0	67745	55069	41830	111910	87572	86213	99393	65404	68925	64813	39117	55164	44805	86895	140277	149411	185578	64140	69570	83818	73946	72233	0	56413	102484	71205	83373	73564	75405	82585	64925	43055	91705	45669	56289	107073	71925	69439	105599	63257	72097	0	94039	94799	62222	60432	56609	75919	52652	106669	94601	74762	51976	0	70922	60214	Phytochemical	0.3846154	1.1538461	0.0
26	C26 H30 O10	503.19116	503.1919	0.09863581	503.19122	33409	28242	36788	34854	40052	28246	5889	17522	43622	90215	35277	12705	73785	23511	20534	26507	10318	59015	57212	75091	75893	33009	27540	30615	16920	54430	4924	28343	17504	13765	14562	13649	21817	14212	91150	15704	26774	17374	10298	37622	27631	13861	0	0	0	39987	36099	0	17913	16093	34255	34030	28175	0	56773	43961	17993	18660	15425	10395	22437	24495	63305	31940	14516	41309	20685	12419	58727	103552	88435	20069	12475	9157	9767	12646	0	10072	34253	21493	26914	23143	13515	28081	48526	24888	25871	16656	14332	14829	22235	22474	31104	25933	44221	0	32598	24318	31795	49812	42871	16550	9965	18606	28932	15884	31793	0	12368	65050	Phytochemical	0.3846154	1.1538461	0.0
22	C25 H30 O9 N2	503.2024	503.20312	0.16436978	503.20248	6436	6329	7430	10145	5336	8038	3874	6651	6115	21237	7311	4261	6101	5001	6538	5962	5227	0	6978	9025	16302	14994	7343	10868	11904	6640	5841	9982	5220	4964	8005	9330	6053	6297	17982	6950	13161	7749	3363	13020	8594	2647	0	0	0	7632	5311	0	9866	5142	11382	5978	5518	0	9137	4715	2361	7208	8324	2655	11390	5845	4576	4623	0	3718	5367	4756	3884	11294	3499	5104	4105	4763	3762	6147	0	5461	9866	4050	6556	6538	8654	11869	3958	1831	5472	8368	6188	7224	14471	13398	15554	6755	7214	0	5930	11383	5623	2216	2146	12401	5271	8105	5285	8483	4637	0	7768	4848	Phytochemical	0.36	1.2	0.08
12	C25 H30 O9 N2	503.2024	503.20322	0.102332436	503.20245	29031	34008	35531	34432	15813	15533	24400	39457	18348	57298	30737	16697	21512	6184	26867	36218	32743	21183	31444	68563	63545	58947	27883	34122	29230	24770	16769	38296	33963	25372	31568	28652	36929	26018	96742	25232	34103	21648	33787	61726	63968	17160	0	0	0	51482	47272	0	27989	30344	37076	25386	16955	0	16670	18665	12222	39224	28882	33533	30055	42835	24036	18748	7436	19144	19676	31932	27892	47084	43176	26929	26501	21496	17367	24915	0	21421	23370	26569	23309	24963	26131	36076	14345	12297	30535	14839	19775	59571	37661	47819	62937	40679	46783	0	35367	37437	15504	13828	13939	35633	18591	35402	19156	31543	10908	0	26056	22606	Phytochemical	0.36	1.2	0.08
10	C25 H30 O9 N2	503.2024	503.20325	0.112555325	503.20245	22066	21264	19951	23084	12448	11678	16244	20106	11940	53742	25008	13599	16701	7815	14940	21038	13646	12305	21428	59026	50854	44213	14778	28320	15420	18129	11616	15472	18192	18086	17041	23453	22653	17035	64059	19054	25759	13701	21152	60283	35148	16013	0	0	0	31221	29863	0	19990	21259	28911	22244	14535	0	16201	12860	7874	21821	14014	12413	16023	27756	12840	17938	4670	16507	14351	21715	23800	37721	26325	18657	15440	14908	11499	16224	0	12935	20528	18875	15818	15717	12425	24633	8720	7185	18413	11795	11118	27871	22511	32320	32357	23415	40991	0	25286	25684	8343	10485	8077	21914	12747	21558	0	21339	7790	0	15616	14678	Phytochemical	0.36	1.2	0.08
24	C30 H30 O7	503.20642	503.2071	0.117748044	503.20648	8913	13054	7881	10741	9704	3715	3582	3239	11376	7424	28512	3878	8928	5716	3035	6950	4879	5639	10841	20330	13805	9092	5761	7035	5128	72967	3693	23966	2479	3681	2087	4184	5003	3566	16608	3786	4498	3212	6256	16721	22074	2715	0	0	0	9549	10500	0	8409	2725	7780	7205	8513	0	6416	11232	5067	5220	5757	4311	6768	11976	6324	8604	3724	6968	6883	3781	62837	42410	75811	3734	3734	2657	3142	3091	0	3141	11431	8857	6431	7968	5084	18119	12727	8796	11999	4350	4355	7054	6223	5199	7252	10993	5939	0	7212	8908	11289	13882	12552	4085	3437	8123	4991	3425	9300	0	6265	3796	Phytochemical	0.23333333	1.0	0.0
26	C30 H30 O7	503.20642	503.20685	-0.030001836	503.20642	5163	4004	5191	3960	3546	0	2094	0	5042	5774	18530	0	0	3973	0	0	0	0	0	9858	0	3197	0	0	0	42338	0	12382	0	0	0	0	2702	0	9372	0	2522	0	0	6098	12048	0	0	0	0	0	0	0	0	0	5555	2780	0	0	5579	5776	4452	0	0	3668	0	4078	5247	0	0	4334	5790	2015	41669	19823	31421	2847	0	0	0	2585	0	0	6149	0	4009	0	0	11848	11058	0	6484	3005	0	5092	2721	3437	0	5002	7653	0	5672	7304	4845	9247	12126	0	0	0	0	0	0	0	0	4866	Phytochemical	0.23333333	1.0	0.0
22	C30 H30 O7	503.20642	503.2071	0.06439208	503.20645	8393	8727	10271	8863	7121	3848	3095	5593	10526	9310	18207	4227	1961	7844	2800	4258	4387	0	6228	11082	17382	6447	4037	5880	4105	64996	4926	17974	4226	2585	4899	0	4489	3497	13212	4002	4596	3734	4147	7864	15794	3434	0	0	0	3432	8162	0	3766	4916	11125	8931	3365	0	2305	5303	5025	6978	2420	3471	4827	11817	6685	4685	2536	8159	7052	3261	44580	41475	60540	0	0	3240	2159	2751	0	3350	11148	6063	8107	5853	6354	16074	8787	3972	11537	7609	6724	7061	6727	6839	6327	9098	5321	0	6357	7953	6096	7999	4989	4391	3303	5854	4768	6969	5745	0	4654	6781	Phytochemical	0.23333333	1.0	0.0
24	C27 H34 O7 S1	503.2098	503.2104	0.4142192	503.21002	36298	68364	40034	35931	24597	13450	7000	9468	24039	84692	167671	8381	15104	8272	12305	20820	14470	22701	46503	106829	107631	67056	15113	33845	16608	134516	6662	168892	3101	10403	12074	11753	21419	20957	110836	7622	16186	17508	22157	96706	95076	13420	0	0	0	47097	47220	0	30000	7943	43432	34407	18422	0	14054	14938	13602	25991	30451	27226	30438	66600	17629	22130	7128	21996	17093	19564	105899	142237	162215	12437	8743	7768	9647	10292	0	9283	16230	67913	9426	44021	24108	70126	35062	12550	31806	18185	20457	31463	85460	69718	36417	84396	90592	0	41088	28876	25718	16533	15708	23328	5386	30409	73032	22953	15542	0	23731	28816	Organosulfur	0.25925925	1.2592592	0.0
10	C24 H30 O8 N4	503.21365	503.21436	-0.10549045	503.2136	7345	8810	5315	5412	2414	2417	7340	7518	2886	3498	0	3168	1099	0	5813	8967	6349	3064	3793	5338	5403	9354	7297	12919	8003	0	5608	0	8391	5409	8977	9744	6852	7167	6021	10326	8738	5103	10676	9849	2968	2730	0	0	0	5667	4355	0	8211	3816	8561	8223	3168	0	3641	1120	1923	9970	7264	5183	0	2336	1631	3607	2743	2546	4864	6757	0	0	0	9790	6530	5766	6705	8190	0	5644	5346	5094	5415	4810	5563	0	1461	2859	7224	2963	2734	10537	8674	7379	20031	3655	5919	0	8355	7337	0	1585	928	10016	4299	6086	0	9239	2385	0	7094	3898	Peptide	0.33333334	1.25	0.16666667
22	C27 H34 O9	503.22757	503.22827	0.18225804	503.22766	535025	539888	475006	522080	513764	355802	244884	474086	557827	1120674	608039	255322	546860	305801	405794	447158	260304	562454	599389	1141231	1051313	501578	447810	518898	408547	1074133	220517	578349	418734	354489	383112	425427	505004	344564	1328927	403224	513393	352104	285362	680208	439598	279710	9978	5096	5150	490749	343459	0	414180	390050	527184	522829	390129	20175	637322	461673	282597	467893	382917	217938	436319	444802	615250	492895	226573	477952	316343	293867	835385	1653336	1272518	412533	357571	358226	241984	391936	670	318672	525151	235330	443793	303405	326914	417500	516109	319181	470046	255282	321323	334346	460317	554718	547781	302210	468550	22810	489905	527608	403590	455412	412995	454889	288214	486992	289989	393372	408437	2689	344284	650052	Phytochemical	0.33333334	1.2592592	0.0
20	C27 H34 O9	503.22757	503.2283	0.18350416	503.22766	539168	564546	543966	488997	495439	312235	295354	491672	537124	955127	579440	307461	545738	286926	439530	526485	317438	467588	579554	983051	990698	481275	429729	540549	353416	1121642	271951	556435	444143	408338	393457	407312	499945	366964	1024814	413186	510437	365993	366804	667150	499150	292680	11119	7537	8521	467043	381345	6201	463784	386625	517681	505526	375331	39564	563661	432276	294083	510703	397750	285534	491709	385442	554305	441464	240608	430828	308792	402421	844307	1488700	1323361	417501	400431	404247	368550	402671	356	358018	580374	287627	473832	286946	380811	519925	508283	313065	546398	280512	347416	441878	531324	524422	583908	313679	419695	37860	534696	526634	407087	449104	444018	474041	321085	520105	310448	428389	413263	4641	392938	582150	Phytochemical	0.33333334	1.2592592	0.0
26	C27 H34 O9	503.22757	503.22827	0.10074418	503.2276	75723	69745	79236	82058	96328	56859	27261	65324	93736	166530	88354	42096	144045	52524	69521	72783	40090	123373	128494	161936	156668	69892	61458	80343	47629	151029	32259	74136	65733	52803	56472	55583	65528	43073	190321	53434	82959	48859	46126	103549	77689	44481	0	0	0	74686	61984	0	59524	60790	80082	78635	61766	10970	117234	96823	45004	69714	50907	27196	72573	60000	119032	85314	33515	94673	59487	41600	143757	253704	233533	60694	49465	43290	43108	44458	0	49145	82829	34521	68835	46241	47910	69180	112111	54199	78894	41168	45860	50151	66205	73470	92737	48614	69317	10042	80070	82699	66591	98200	97208	71653	36585	75453	47045	49556	69403	0	40016	109828	Phytochemical	0.33333334	1.2592592	0.0
24	C27 H34 O9	503.22757	503.22824	0.17028537	503.22763	262248	266011	241387	253445	257186	198862	110620	210335	300456	573938	289429	120834	379852	157041	188438	209899	106959	305665	372603	547415	486478	245924	215843	227805	173001	506250	83784	257077	190684	160609	183704	182184	228028	160063	670953	179496	283275	147914	137739	343778	218803	128276	7621	2766	6824	271151	161072	2753	190597	166812	258387	263517	197659	17729	353235	231323	125077	220282	194241	91259	221275	219398	344459	260127	109636	282204	168218	130164	427841	834805	629593	201060	165285	169283	107031	167128	0	154125	250733	116138	212240	155816	150482	219111	279328	155506	234926	128570	158372	139004	225201	269312	311709	146264	239068	13298	256060	252773	185593	236444	245267	209370	118180	216206	145125	197049	203697	2782	142925	366889	Phytochemical	0.33333334	1.2592592	0.0
18	C27 H34 O9	503.22757	503.2283	0.1525435	503.22763	351410	344134	304608	292196	233423	167581	202981	328810	242379	457758	324537	202907	277309	147081	260131	362005	266897	246814	322926	528951	465824	278441	286560	357499	218943	525914	222939	277293	298124	279974	277255	309131	308740	259542	480023	300245	287687	246017	315581	331899	335750	173360	6534	7829	17775	254687	240001	6660	318235	273186	324036	320187	220372	94262	324654	241420	173649	367142	224109	228736	307510	205406	299119	257749	154921	257649	203790	324429	438718	611574	750858	233340	233566	272159	275893	330587	345	202676	395124	185698	325597	206237	235390	231648	289456	194424	367535	175986	189335	336203	294315	295933	357612	176005	244353	50902	322312	303824	235523	283738	273046	299369	209318	315576	158164	262231	216815	5441	270762	270088	Phytochemical	0.33333334	1.2592592	0.0
12	C27 H34 O9	503.22757	503.22842	0.16854069	503.22763	12926	18221	16163	20144	4219	5713	14735	17700	5256	7764	7389	10841	3438	3757	9775	22507	17271	4785	5753	17253	10099	17891	9327	20247	8930	12055	18858	0	11485	14740	13285	14029	15059	8600	14620	17614	13350	12886	23294	9895	12928	5360	0	0	638	8607	9839	0	16203	17216	10547	17927	5014	4119	12185	7226	6442	21627	9225	19115	27148	8174	7161	5080	3596	5467	5671	17456	0	12696	17629	8204	9664	18094	22016	15364	0	10218	15430	0	16132	8513	12625	8172	7983	3332	17571	4787	6819	23497	5641	10067	17025	7865	8763	968	14195	17340	3454	6099	5294	11799	7988	13174	0	11662	6902	0	13455	8576	Phytochemical	0.33333334	1.2592592	0.0
28	C27 H34 O9	503.22757	503.22824	0.08741041	503.2276	24754	20762	26084	22239	28491	16971	10424	17341	26419	44564	24442	9633	48230	16670	15897	21159	14379	28747	36629	43909	44407	18181	16990	21725	11202	57106	10623	25360	17092	14653	14691	12308	17864	14136	53995	20118	21947	12245	15407	23113	22763	12247	0	0	0	16421	16765	1187	18354	17231	21048	20354	18861	6859	35381	24415	10547	22015	12485	8264	18339	14217	33356	22580	10713	30243	17014	13388	56730	83880	91389	14024	12228	9913	9415	10920	0	11394	25999	13041	18233	10144	10588	19072	27763	14260	22623	11654	14855	16843	19696	20664	20160	13521	17068	4266	25769	20971	16936	30302	29430	20786	9043	19801	12219	16353	18950	0	11931	32780	Phytochemical	0.33333334	1.2592592	0.0
6	C21 H34 O10 N4	503.23477	503.23563	0.28833884	503.23492	0	0	0	1100	0	0	0	0	565	0	0	0	0	0	0	1716	0	831	0	0	0	0	919	2730	839	0	0	5392	1222	1064	1056	1566	2450	1401	1113	1410	1501	617	0	0	0	0	0	0	0	0	0	0	0	1263	1395	0	0	0	885	0	0	2105	0	0	0	0	719	0	0	0	592	0	0	0	0	2911	1097	1625	0	711	0	737	0	0	719	0	0	0	0	1018	0	714	0	1085	26145	17698	1763	778	0	0	0	1320	0	0	0	0	1078	0	8384	1133	424	0	1120	0	Peptide	0.47619048	1.6190476	0.1904762
20	C26 H34 O8 N2	503.2388	503.2395	0.103960074	503.23883	15910	15454	15779	15968	7619	9604	13757	19566	10548	15061	9422	14773	4725	4627	20097	20570	12710	9484	19350	22869	15666	23291	18911	28492	24688	5830	10496	16374	23400	14654	16282	25136	27120	19839	22356	21368	27675	11565	17452	20146	9713	9235	0	5926	8222	14897	7680	5732	21346	10877	17461	18398	11765	3962	8790	6218	5102	21980	18468	9501	21768	10886	5315	8763	5404	8572	15332	14177	5946	17188	10645	19171	19505	15521	10558	14943	0	13735	13865	11061	13145	10426	13156	8520	3717	6016	15370	16089	11978	33217	34294	32983	57378	8503	18688	5734	16924	14862	4532	4552	3861	24510	11181	25660	14044	24874	7817	4407	15701	9238	Phytochemical	0.30769232	1.3076923	0.07692308
22	C26 H34 O8 N2	503.2388	503.23953	0.21264441	503.2389	9363	6986	4840	10539	4021	6696	6591	8675	3113	10683	4227	5394	2716	7045	6632	10712	6356	8638	5971	13888	6467	11820	4228	12497	10097	3183	2375	5283	11832	5260	8979	11999	12308	8686	8900	11679	10949	3599	7416	10800	7055	9129	0	4430	4570	11469	6320	3355	8432	6016	6654	6037	5570	2357	5393	2221	3388	11738	10662	3184	10597	6535	4539	3971	0	3829	5224	7707	2585	6894	3955	9502	5780	8122	5253	6877	0	7647	7630	3794	5577	4421	6892	6853	3806	3114	8126	6217	6305	8020	16319	22040	23095	7129	4322	3297	3737	8772	2721	2667	2498	10933	3608	11982	3421	15326	2852	2840	9041	4477	Phytochemical	0.30769232	1.3076923	0.07692308
24	C31 H34 O6	503.24283	503.24347	0.06899205	503.24286	12358	12831	11431	12820	10380	3997	4398	9986	10875	6253	16115	9044	5802	10499	10405	14987	13566	5165	12039	12569	15049	6556	9496	15213	11467	61228	4880	19553	9328	9434	11007	10652	11305	7502	14042	8775	8817	8516	13666	17328	16287	6283	0	0	0	7836	8214	0	7775	10786	9647	9828	5244	0	6811	8517	6509	11287	5891	9109	15870	11796	4742	5637	5956	7594	9109	14938	45909	28012	44027	7766	6576	10046	6463	12776	0	6823	18843	11158	9426	7457	9115	14505	8575	6671	19303	8838	6856	13824	6214	13256	13759	8814	6851	0	9625	6952	9208	9882	7711	13932	7138	11440	5676	9367	6433	0	8703	4341	Phytochemical	0.19354838	1.0967742	0.0
26	C31 H34 O6	503.24283	503.24344	0.051159132	503.24283	9768	9142	7404	7230	6349	2610	2908	11413	5247	4073	13309	5561	0	2437	0	6950	7426	0	9821	10420	8681	9208	9744	9992	11713	41033	3845	13854	8426	7757	8299	6848	6400	4416	6916	6511	6659	7459	7412	9648	14464	0	0	0	0	8290	0	0	6496	9035	8490	12100	6819	0	6668	0	5585	8923	6110	6114	6746	7641	6578	4227	4546	7029	8863	8045	51641	21360	34164	7251	5616	10185	0	6444	0	4589	10500	7012	6853	5701	5310	11985	10581	0	12352	6426	7171	13427	4956	4583	11893	8495	0	0	6137	7641	7516	11784	9230	8617	5562	10129	0	7484	8819	0	8222	0	Phytochemical	0.19354838	1.0967742	0.0
22	C31 H34 O6	503.24283	503.24344	0.004492931	503.24283	6582	8396	6337	6658	3753	1175	2617	5264	2475	3727	5585	5293	0	0	6836	10362	12087	4291	5702	2925	5151	4130	6105	5911	7002	20813	5930	7954	3792	4374	6487	5086	7351	2463	5591	8487	5085	4249	9918	5947	9313	3410	0	0	0	3993	3705	0	5932	5950	4572	5092	2849	0	0	3656	4076	9124	4151	6865	7984	5191	3803	1350	4533	3191	4034	14115	18808	15647	27254	5087	3727	5227	7873	6697	0	3822	13876	6618	6996	3514	5782	6183	5456	2683	10133	4516	4999	12834	9194	6370	6941	4742	7326	0	0	7647	6831	7719	6150	7755	4242	12659	2663	7153	3725	0	6148	2185	Phytochemical	0.19354838	1.0967742	0.0
4	C28 H38 O6 S1	503.2462	503.2468	-0.2298724	503.24606	0	0	0	0	0	432	0	0	0	0	0	0	0	0	251	453	0	0	0	0	0	0	0	0	0	0	0	14916	0	0	0	0	0	0	0	0	804	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1100	0	0	905	0	0	0	0	0	0	0	0	0	0	0	0	0	0	431	0	0	0	25970	0	0	0	0	0	0	0	0	0	0	3740	1389	0	791	0	0	0	0	0	0	0	0	0	0	0	483	0	0	0	0	Organosulfur	0.21428572	1.3571428	0.0
2	C28 H38 O6 S1	503.2462	503.24667	-0.18985608	503.2461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59621	0	0	0	0	540	0	0	0	571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	332	0	0	0	0	0	0	0	0	0	0	0	0	475	0	0	0	0	0	0	0	0	0	0	0	0	0	35483	0	0	0	0	0	0	0	0	0	0	2352	2361	0	1424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.21428572	1.3571428	0.0
10	C25 H34 O7 N4	503.25003	503.25098	0.27352262	503.25015	0	0	1567	0	834	1754	0	1749	0	0	0	1217	0	0	1199	1452	1653	0	0	0	0	2190	1200	2119	1810	0	1453	0	1335	1094	1482	0	2480	0	0	1566	2477	1032	3235	0	0	811	0	0	0	0	0	0	3507	0	0	0	0	0	0	0	0	1667	0	0	0	0	0	0	0	1062	1034	2146	0	0	0	1014	0	2075	1492	2704	0	1272	1999	10574	0	0	0	0	0	0	1092	0	0	1933	38899	6671	3077	1438	0	0	0	0	0	0	0	2216	1124	3245	0	2248	0	0	2014	0	Peptide	0.28	1.36	0.16
20	C28 H38 O8	503.26395	503.26462	0.08144157	503.26398	273818	269584	258319	246740	278028	153467	192418	234992	273938	257884	198607	178324	252636	166350	234586	321884	294705	222255	329569	319523	315474	210737	210331	263425	196059	392038	215416	223188	232923	210903	194560	229935	289238	177890	287158	241413	257595	212920	292525	204189	251866	162525	5121	1227	346	173817	189412	909	255186	206080	257847	265009	226907	886	312818	291190	177724	267834	177950	181306	253109	144604	297859	263659	151580	241567	192440	303343	322636	413994	511289	161466	198599	228390	271141	227578	0	196256	340640	163060	268673	128014	222055	220524	365832	206954	358675	151449	184272	294141	268871	251769	291512	158783	171677	1329	250144	276356	228575	338437	373826	296101	169839	253771	132979	222984	283171	1005	218235	280925	Lipid	0.2857143	1.3571428	0.0
14	C28 H38 O8	503.26395	503.2647	0.10398602	503.264	4365	7291	6162	6390	2839	2737	7113	7548	4957	2144	2830	4850	4067	3451	8170	8471	12348	1518	2769	3019	4931	0	4938	5439	9268	5828	10458	0	5467	8296	6184	0	3725	3267	5349	9334	5009	7678	14700	1385	7385	3050	0	0	0	3873	0	0	8605	10356	6484	7446	4026	0	4508	6300	3874	3987	0	7179	0	1814	1387	3357	3293	2534	3425	12667	0	4139	7341	2259	6582	7375	10902	7167	0	5934	15150	0	7972	1327	5261	3069	12682	5008	8940	1810	3528	22279	8043	3869	8579	2410	3271	0	6045	5099	6578	13994	11422	5687	6630	5360	0	4804	7814	0	8704	1571	Lipid	0.2857143	1.3571428	0.0
18	C28 H38 O8	503.26395	503.26465	0.030123875	503.26395	110379	103705	103693	96837	98878	62069	98637	107817	93985	96276	76808	76932	95740	57741	93086	125899	129597	69802	121114	102390	107706	80111	95929	102109	83349	137234	103397	68577	110007	105685	91601	112660	114315	81329	88083	109020	95157	93610	153667	62615	91540	62603	955	0	0	59392	77423	0	104470	88976	102138	100445	77216	304	126589	107292	77253	118146	66847	90482	105543	46168	111206	88197	61043	81495	68133	150887	90388	110321	166749	55455	61103	97558	135298	113721	0	67698	162727	63820	120131	55702	89919	58472	154469	94616	152621	55627	67377	140902	94878	95731	137147	62630	59423	0	107000	89875	89435	167305	155105	119693	70534	106079	45946	79331	103360	0	103219	82974	Lipid	0.2857143	1.3571428	0.0
26	C28 H38 O8	503.26395	503.26468	0.112292275	503.264	201101	197337	187170	196212	243329	130811	109291	198999	252827	293669	211560	98992	266578	141654	190570	184982	124100	239829	347192	425421	381460	191433	157335	195544	178326	421425	102010	234537	196498	187357	162123	182597	232337	147550	413660	197794	257391	135348	125181	251418	173542	127614	0	0	0	195897	116057	0	184266	160561	206074	193325	190475	0	328370	251512	121329	205595	172526	90400	195372	140739	283503	225320	85067	210387	154920	133091	392287	587440	470597	151926	145533	183698	115404	153749	0	131420	215598	123402	156495	112907	148137	175593	288371	157472	200109	114120	145133	128567	204541	230639	270268	118015	176197	0	194286	231244	159299	271783	275535	238430	102102	236636	120601	149332	205222	0	136202	242952	Lipid	0.2857143	1.3571428	0.0
16	C28 H38 O8	503.26395	503.26468	0.05196963	503.26398	28133	24815	28703	30408	20457	14953	33834	33438	31239	18715	15330	23947	24334	16116	30125	45082	48563	10163	29310	25769	25629	20486	27801	29263	28101	21490	37894	15889	29388	37255	25038	36116	31953	12557	20207	27669	26755	31014	54233	6791	18978	15665	401	0	0	11390	18437	0	37240	31316	30863	33914	23246	0	43493	31791	20030	29522	19783	24562	29470	6894	30913	18172	16866	17974	20172	48055	23995	26668	34811	15095	23458	31898	49233	31859	0	19133	49694	21371	35225	22412	35069	12702	51378	24190	48511	9272	12996	58601	27695	27649	43459	12943	13535	0	35539	29612	25002	49824	50893	30987	20940	28568	7043	29067	36915	0	37669	18862	Lipid	0.2857143	1.3571428	0.0
22	C28 H38 O8	503.26395	503.26465	0.101567894	503.264	494036	517309	460860	474957	579329	299284	314319	457256	572559	623869	485181	286676	463853	303935	418498	496926	374171	494427	620291	770786	740092	404727	425019	469700	384729	919751	311199	497903	422536	389312	357094	446185	527422	339178	717702	431019	513448	369192	401696	471175	422732	294651	11752	0	416	352830	331041	0	445299	377159	509751	485227	436558	1679	681136	504931	323454	500785	360661	279782	479429	310126	547725	511156	256903	471576	325142	436676	703136	1075577	1115353	327810	327914	367486	352996	385292	332	309983	561193	255876	448249	252122	349451	360746	654714	392593	553516	278825	351240	424539	453424	524147	542617	275642	391852	0	447559	468593	403140	653589	570093	593134	311090	520904	259186	380629	530096	0	365416	548800	Lipid	0.2857143	1.3571428	0.0
16	C22 H38 O9 N4	503.27115	503.27112	0.05275038	503.27118	1699	1490	1475	0	0	0	0	0	0	0	0	0	0	0	0	2155	0	0	0	0	0	0	0	0	0	0	0	11878	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7686	0	0	0	0	0	0	0	0	0	0	342819	142356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4090909	1.7272727	0.18181819
14	C22 H38 O9 N4	503.27115	503.27188	0.26144114	503.2713	6557	5341	5931	3473	0	0	0	0	0	0	3999	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42939	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3830	7574	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17561	0	0	0	0	0	0	0	0	0	0	1162975	419313	0	6835	1892	0	4208	3240	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4090909	1.7272727	0.18181819
10	C22 H38 O9 N4	503.27115	503.27213	0.26457244	503.2713	42072	40820	42553	41017	0	7441	0	0	0	10824	21279	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	174267	0	1064	0	0	0	0	0	0	0	0	0	0	0	1376	0	0	0	0	0	0	0	0	41805	35978	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	159288	0	0	0	0	0	0	0	0	0	0	5181555	2628185	0	55070	28556	0	46825	36980	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4090909	1.7272727	0.18181819
8	C22 H38 O9 N4	503.27115	503.272	0.094586864	503.2712	28477	32459	27852	32820	0	20990	0	0	0	5980	21514	0	0	0	814	1446	0	885	0	0	0	1748	0	0	0	0	0	168032	963	0	0	0	2218	0	0	0	1909	0	0	0	0	1979	0	0	0	0	0	0	1792	0	31132	26251	579	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1498	0	0	0	0	0	0	0	315216	0	0	0	0	0	0	0	0	0	0	3379366	1880278	0	61032	19386	0	31011	28496	0	0	0	0	0	0	0	1456	0	0	0	0	Peptide	0.4090909	1.7272727	0.18181819
6	C22 H38 O9 N4	503.27115	503.272	0.2486844	503.27127	4742	3689	3743	3944	0	9753	0	0	0	0	5411	0	0	0	0	1359	0	0	0	0	0	0	0	0	0	0	0	39384	803	0	619	0	1506	0	0	0	1638	0	0	0	0	536	0	0	0	0	0	0	0	640	3993	2631	601	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	122563	0	0	0	0	0	0	0	0	0	0	456073	218815	0	15266	3450	0	4764	3454	0	0	0	0	0	0	0	1092	0	0	0	0	Peptide	0.4090909	1.7272727	0.18181819
12	C22 H38 O9 N4	503.27115	503.27188	0.20466177	503.27127	17200	17403	31007	19358	0	1866	0	0	0	13669	18375	0	0	0	0	2045	0	0	0	0	0	4403	0	0	0	0	0	133821	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4697	0	0	0	24580	23631	0	0	0	0	0	0	22622	0	0	4538	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	115690	0	0	0	0	0	0	0	0	0	0	2394795	1455405	0	32696	9904	0	26068	23077	0	0	0	0	0	3808	121013	1416	0	0	0	0	Peptide	0.4090909	1.7272727	0.18181819
26	C32 H38 O5	503.2792	503.27982	0.047195595	503.27924	5057	4646	3749	4666	5396	0	4126	9168	3069	2103	6115	6210	0	2197	7841	8481	10163	0	0	0	0	0	6150	8215	0	27516	5082	7503	6473	9382	6191	7507	7684	4540	1846	12491	9353	7112	13980	4234	8003	0	0	0	0	6046	0	0	6829	7394	5680	5422	3302	0	0	8466	0	9143	4475	5818	8145	0	2694	3684	3018	2103	2827	10198	19902	9222	16136	2938	5784	9738	7398	7628	0	5151	10652	0	7443	0	7554	7987	0	0	9741	4795	0	9643	3256	5140	9006	4717	0	0	4299	5834	3210	9271	5863	13478	5635	6137	0	5310	0	0	8662	0	Phytochemical	0.15625	1.1875	0.0
6	C29 H42 O5 S1	503.28256	503.2829	-0.18208154	503.28247	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34681	0	0	0	0	0	0	0	0	0	0	24914	24813	0	2474	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1724138	1.4482758	0.0
2	C29 H42 O5 S1	503.28256	503.28296	-0.41563532	503.28235	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21266	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25657	0	0	0	0	0	0	0	0	0	0	5854	2047	0	1443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1724138	1.4482758	0.0
4	C29 H42 O5 S1	503.28256	503.28314	-0.3973384	503.28238	0	0	0	0	0	287	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16190	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34400	0	0	0	0	0	0	0	0	0	0	23220	10061	0	733	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1724138	1.4482758	0.0
22	C29 H42 O7	503.30032	503.30096	0.011782817	503.30032	144181	145794	122932	124803	200329	84069	156545	124983	162298	71126	89160	95114	125985	115382	112270	181750	223054	124959	177067	101469	98960	89975	111924	125379	129626	129842	149916	90292	142424	143096	111733	143461	171727	102896	86997	149717	150270	121682	236962	72048	95400	99281	3090	0	0	83328	103830	0	141602	129643	139647	130508	137710	329	222259	185388	113865	174140	88862	105077	141964	47303	161065	151125	107285	140944	113716	260826	97322	126535	151973	72465	102371	125404	181479	141625	0	101461	191270	89922	145042	58254	115841	70058	267754	147519	214274	96186	105316	238633	133873	153861	148138	83202	88723	0	136168	135603	136230	256827	260310	205928	94347	142820	62955	132349	214999	0	136155	142825	Lipid	0.2413793	1.4482758	0.0
28	C29 H42 O7	503.30032	503.301	0.03520387	503.30035	49965	47372	47969	47245	65610	28034	56414	47949	63757	38003	46775	19467	61219	36043	40761	46769	47740	42364	87143	54202	48946	42988	41321	41139	65827	83437	48199	59555	62082	51654	39531	47000	79325	35615	61456	64889	62540	38348	46073	45338	37626	34431	0	0	0	33468	23174	0	48543	41258	46090	45018	53008	0	96964	71979	31914	57807	48370	23447	54691	31751	55928	57369	28862	60131	48625	50729	62611	69606	66153	27765	31074	54960	26771	44335	0	31157	68276	45541	44991	26483	49274	46323	105009	48874	82738	26604	38380	54025	48753	64099	62881	46788	29507	0	49294	49831	42884	108384	118524	82544	25917	58938	40849	51110	78088	0	44286	46000	Lipid	0.2413793	1.4482758	0.0
20	C29 H42 O7	503.30032	503.30096	0.00609214	503.30032	46547	59499	51421	46369	62980	26987	60480	50731	51627	18520	26724	45125	47627	39385	49800	74858	104595	34581	60315	23772	22549	18529	32886	40380	41255	33099	58789	25626	43807	56868	46711	53705	57611	28289	20576	56728	47813	48219	110274	15319	27689	31863	864	0	0	19865	29098	471	59541	43369	55524	47638	54072	0	74988	71808	37894	60109	24908	45485	48343	12315	53097	63052	37425	44836	42820	115814	26337	28380	31674	20251	32672	50708	101008	43445	0	34487	80232	32131	58248	17585	39440	14446	95952	58147	89333	31546	44290	102918	40639	48726	42802	17666	19300	0	51806	60842	51072	101146	115252	71848	33260	44383	15856	41820	85310	0	50471	37004	Lipid	0.2413793	1.4482758	0.0
26	C29 H42 O7	503.30032	503.30103	0.07951239	503.30038	220774	224389	229799	227154	338470	157903	198276	239141	306078	187468	240571	116548	261829	175145	206397	255440	232455	262173	429916	304136	270555	180203	184162	211694	232313	354156	185729	264381	285082	251502	201088	251851	323786	173985	274282	292642	284925	183043	221114	226856	183791	177160	0	0	0	191600	134750	0	225398	202399	246729	239056	251513	0	444615	319300	164855	250279	222779	138544	235610	136859	280317	276360	125320	228090	220027	245495	309590	361324	298918	149515	178366	253077	197214	214453	0	153908	268959	180491	181224	135211	228832	196368	440104	255123	297310	144142	201725	222230	238619	262223	260677	163137	183961	0	221442	261178	205148	415285	443194	357125	131578	292766	150919	190240	351707	0	211163	231285	Lipid	0.2413793	1.4482758	0.0
24	C29 H42 O7	503.30032	503.30096	0.044558175	503.30035	261923	270335	253294	254379	372971	166426	240758	221794	298496	203948	225411	160354	281891	197801	217262	312565	323705	244843	443850	266521	234593	175469	203997	225666	212754	335698	226366	240640	244436	241045	203314	273366	328494	187871	255369	282710	324170	192182	355637	205014	213090	159344	4499	0	0	162057	164451	0	265440	211178	256716	260275	291722	0	462889	324375	179459	299269	189320	158764	284641	137627	325493	314029	163005	271907	219353	362711	254563	313827	341091	161477	184474	224518	241916	237051	0	175137	347063	168463	235494	142072	224864	177445	467338	288214	354502	172502	223682	307293	266001	276529	267175	163982	195885	0	253016	251644	241138	425887	459085	374717	149336	293501	132227	232588	376528	0	219390	255449	Lipid	0.2413793	1.4482758	0.0
16	C22 H46 O12	503.3062	503.307	0.22606935	503.3063	4127	1790	1584	2040	0	0	6064	0	0	3974	7967	0	0	0	1396	0	3646	0	0	0	0	7968	0	0	0	0	2111	38781	0	0	0	0	0	0	0	0	0	0	0	0	8811	0	2246	0	0	0	4507	435	0	0	0	4381	0	307	0	0	0	3838	24676	30768	127833	3002	0	0	0	0	0	0	44531	0	0	0	0	0	0	0	0	0	0	60571	0	0	0	0	0	0	0	0	0	0	0	2633	0	3606	0	0	4666	0	0	0	0	0	0	8819	0	0	0	316	0	0	Lipid	0.54545456	2.090909	0.0
14	C22 H46 O12	503.3062	503.30713	0.27656943	503.30634	274050	118982	219605	282679	0	2543	435620	163576	0	34708	361860	198592	2956	4485	28105	35181	81643	2305	1706	67297	5980	200364	33334	154120	1653	0	117618	1001265	4530	16833	6606	14591	0	8172	0	8125	2305	34592	28864	36904	366010	7956	27127	958	658	85276	859146	634	24025	399695	162434	187749	0	7489	1495	2019	9729	109287	439960	1081997	7106748	138460	4967	4918	0	2546	4612	11885	3118404	22072	28306	29519	10251	9585	6834	7642	1892	11358	2361	2743287	0	1438	10324	1552	0	0	0	8875	3584	127564	90007	92325	7819	137045	31159	1027	284931	186934	17861	0	0	115040	14203	422666	620812	4743	978	1390	1981	1878	Lipid	0.54545456	2.090909	0.0
24	C30 H46 O6	503.33673	503.3373	-0.020737318	503.3367	59600	56098	52834	57637	64243	34171	92001	44074	46354	9778	26614	42127	34143	59935	49506	85741	142748	39698	79126	15634	13180	168830	36170	30975	63202	15777	88428	27836	56343	64519	49313	66791	62997	38795	11190	77950	55746	48522	150252	20306	26027	37029	0	0	0	19410	31483	0	57565	49229	59853	55046	47898	0	68430	67755	45377	75235	28853	43072	67489	13650	38830	40419	54738	36966	58024	154994	11991	10132	16287	25484	37450	60134	89484	63460	0	36560	81421	194929	50419	26432	49005	24719	90217	81342	100440	40938	42206	137774	89587	97767	63734	203473	231967	0	54058	63403	54619	95104	108738	91089	35133	52253	21378	55696	88920	0	61826	24849	Lipid	0.2	1.5333333	0.0
22	C30 H46 O6	503.33673	503.33728	-0.011962662	503.3367	14568	19104	13085	14757	21244	6310	34325	11531	12929	0	2503	14792	8301	25937	20212	32837	68067	6975	18733	0	0	7099	14024	6528	25585	0	32936	3288	23429	24784	10094	21708	22322	10010	1853	24644	12149	15921	72788	1622	2929	13001	0	0	0	3829	6628	0	18004	17624	17487	12599	14833	0	16513	22418	22087	26265	4938	12046	18474	0	10346	8970	19987	7330	21462	84020	0	0	0	5732	11052	20861	40585	17107	0	9624	26379	17420	18950	4371	13271	4942	35631	24776	37199	14215	14474	71521	11930	11229	20711	9695	5729	0	12238	18280	14039	33064	46778	31463	11298	8007	2843	19376	23966	0	20579	3459	Lipid	0.2	1.5333333	0.0
18	C24 H47 N8 S1 Na1	503.36148	503.3628	0.42565495	503.3617	2340	0	4251	2328	2488	0	0	0	0	3880	3786	0	2775	0	0	0	0	0	0	2190	4496	3706	0	0	0	0	0	0	0	0	0	0	4301	0	3413	0	5438	0	3318	4454	5530	0	888	0	0	2866	6911	0	3585	0	4159	2227	1484	8157	0	0	0	0	10696	3012	0	1454	2668	0	0	8222	0	6137	0	2425	2346	2318	0	0	0	0	0	0	0	2243	0	0	0	0	0	0	0	4758	0	2864	5648	4175	4571	0	0	0	2155	2998	0	0	0	3330	0	5477	50022	3352	0	0	0	0	Organosulfur	0.0	1.9583334	0.33333334
28	C33 H51 S1 Na1	503.3682	503.36865	0.3095897	503.36835	0	0	999	0	0	0	0	0	0	792	0	0	0	45549	0	0	0	0	1808	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	848	0	0	0	0	0	0	0	0	0	0	0	1146	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1396	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1211	0	0	0	0	1067	0	0	1061	0	0	0	0	0	0	0	0	0	1343	Organosulfur	0.0	1.5454545	0.0
26	C31 H50 O5	503.3731	503.3727	-0.066930406	503.37308	0	2086	1990	0	0	0	20501	0	0	0	0	0	0	3959	0	0	0	0	0	0	0	0	0	0	0	0	23493	0	0	0	2353	0	3164	0	0	0	1698	2887	10558	0	0	0	0	0	0	0	0	0	2476	0	3878	0	0	0	0	0	0	0	0	0	0	0	0	0	5031	0	0	6042	0	0	0	0	0	0	0	3008	0	0	0	0	0	0	0	0	0	0	6949	0	0	9208	1720	0	0	0	0	0	0	0	0	3394	0	0	0	0	0	0	0	0	3233	0	Lipid	0.16129032	1.6129032	0.0
28	C31 H50 O5	503.3731	503.3736	-5.32241E-4	503.3731	2139	1769	1459	0	0	0	22280	0	1131	0	1787	1463	0	2437	0	0	3793	0	0	0	0	0	0	0	6357	0	16409	2199	2118	2460	1377	1709	1989	0	0	5347	1908	2411	3478	0	0	0	0	0	0	0	0	0	1455	0	1254	1418	1160	0	2711	2195	981	0	1400	1121	2406	0	0	0	1595	0	1949	2252	0	0	0	0	0	4230	0	1855	0	1294	12432	6124	0	0	1949	1079	7194	3236	16140	0	0	49304	2308	1982	3972	1585	0	0	1264	0	1756	4866	8191	3124	1893	2732	0	1076	5445	0	7224	0	Lipid	0.16129032	1.6129032	0.0
14	C22 H17 O13 N1	504.07727	504.07828	0.17066327	504.07736	0	1698	0	2695	8630	2076	0	0	6062	3804	2218	0	13573	1706	0	0	0	5077	4646	3573	5630	23926	1079	0	0	0	0	0	0	0	0	0	0	0	6502	0	0	0	0	0	9357	1141	0	0	0	5529	13085	0	0	0	1711	1795	2770	0	5680	11282	2602	0	0	0	0	3345	16528	10893	1028	8666	2820	0	0	0	1279	0	0	0	0	0	0	0	1319	0	0	5318	0	0	6767	2317	1394	1489	0	0	0	0	0	22181	9485	0	1550	0	6630	10619	7338	0	0	0	0	0	7657	0	0	15011	Phytochemical	0.59090906	0.77272725	0.045454547
16	C22 H17 O13 N1	504.07727	504.0782	0.19297916	504.07736	2720	4926	6032	4729	11000	1919	0	0	12572	5386	4196	0	20343	3254	0	0	0	4876	9687	2766	11691	25767	1588	0	0	0	0	0	0	0	0	0	0	0	12902	0	0	0	0	2767	10031	3002	0	0	0	5164	25158	442	0	0	2843	2672	4402	0	12984	9383	4060	0	0	1458	0	3537	27664	13235	4310	12226	2553	0	0	0	1485	0	0	0	0	0	0	0	3072	15002	2107	10876	0	0	16442	2893	3656	2557	2547	0	0	0	0	38952	20065	0	5068	3527	12175	12083	12413	2575	0	0	14723	0	13360	0	0	27098	Phytochemical	0.59090906	0.77272725	0.045454547
26	C22 H17 O13 N1	504.07727	504.07794	0.09342519	504.0773	4559	3729	6839	5893	9612	5642	0	0	11272	7149	0	0	27543	5222	0	0	0	18749	14389	0	10220	19495	0	0	0	0	0	0	0	0	0	0	0	0	8126	0	0	2922	0	2223	4093	0	0	0	0	0	19049	0	0	0	5246	4192	6495	0	14632	12707	4339	0	0	0	0	3394	21642	11580	3017	12631	4308	0	0	0	0	0	0	0	0	0	0	0	2957	8466	4942	6724	0	0	13427	0	3300	0	3605	2032	0	1650	0	14851	23641	0	6946	0	5555	12112	8250	0	0	0	7075	2066	5967	0	0	27946	Phytochemical	0.59090906	0.77272725	0.045454547
24	C22 H17 O13 N1	504.07727	504.078	0.1526611	504.07733	3877	4259	6253	7313	9536	6738	0	0	6258	5709	0	0	23152	1992	2003	0	0	17763	10473	1985	8935	16617	4105	2023	1431	0	0	0	0	0	0	0	1496	0	5156	0	1923	0	0	1867	4068	1771	0	0	0	7116	16870	0	0	1373	2845	4261	4480	0	21558	11461	1905	0	839	880	1276	4665	19588	11209	2419	7664	4101	0	0	0	0	0	0	0	0	0	0	1055	3561	6750	4147	9163	1195	0	16682	6240	3121	2545	4583	2144	0	1358	2825	16455	15026	0	4785	3591	6782	9984	11493	0	0	0	8707	0	6633	0	0	19467	Phytochemical	0.59090906	0.77272725	0.045454547
18	C22 H17 O13 N1	504.07727	504.07812	0.13170436	504.07733	2170	6935	6359	5997	12272	4301	0	0	16442	10026	3899	1293	27784	2941	0	0	2128	22838	12414	3014	9305	32040	1965	2109	0	0	0	0	0	0	0	0	0	0	11337	0	0	0	2411	5495	10811	3821	498	0	0	8840	29684	342	0	0	2890	7527	6608	0	22580	12243	4595	1289	1368	2089	0	10966	31376	18404	6369	17744	5997	2222	0	0	1692	0	0	0	1313	0	0	0	4418	20406	2199	16887	0	1753	25287	5686	3619	5401	4432	4380	0	0	4428	33930	27169	0	5012	5120	15046	20716	19920	1832	1592	0	15722	0	12036	0	0	23615	Phytochemical	0.59090906	0.77272725	0.045454547
28	C22 H17 O13 N1	504.07727	504.078	0.19297662	504.07736	7279	4751	8184	6650	9899	5138	1521	0	10814	9399	2257	2119	26754	4237	3075	0	0	18210	14521	4668	10256	18113	4534	0	2094	0	0	0	0	0	1066	0	2235	0	10014	0	1808	1633	1216	2620	4592	3237	0	0	0	7851	14899	0	0	0	5703	3969	7539	0	16286	12451	3917	2252	1046	1205	0	3668	26578	12955	4207	13783	2992	1578	0	1581	2204	0	0	0	0	0	0	0	5485	7853	4611	4896	0	0	14954	3365	3420	2126	5069	1923	1817	1686	2527	16594	18772	0	6310	4092	6838	8470	13423	3349	1323	0	7767	2392	6577	0	1364	23635	Phytochemical	0.59090906	0.77272725	0.045454547
22	C22 H17 O13 N1	504.07727	504.07816	0.22006218	504.07736	4434	3230	4011	5211	6782	6014	0	1829	11994	6149	2198	1346	22839	5472	1227	2370	0	14104	7492	2911	10748	14417	5350	1940	1221	0	1044	0	0	0	0	0	2610	0	5838	0	0	0	0	3668	7374	2649	0	0	553	6180	15628	0	0	0	4215	6664	8798	329	21699	14522	4114	0	0	0	0	5529	22331	13403	4814	8897	1873	1311	0	0	0	0	0	0	1124	0	384	1201	5536	8289	4946	12010	1154	0	17492	6752	3296	2395	3261	1876	0	0	2460	21696	21412	0	3346	7512	7454	13143	11460	1688	1176	0	14090	2332	8439	0	2994	27993	Phytochemical	0.59090906	0.77272725	0.045454547
26	C19 H21 O15 N1	504.0984	504.09903	0.09596175	504.09845	0	0	0	0	3000	3763	0	0	3798	0	0	0	7321	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20770	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3495	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7744	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23009	0	0	0	0	6219	Phytochemical	0.7894737	1.1052631	0.05263158
14	C19 H21 O15 N1	504.0984	504.09937	0.16233602	504.09848	3752	3029	0	0	16553	5077	0	0	16209	0	1648	1663	24642	2686	1901	0	2381	15280	12466	0	3248	7172	3386	0	0	1359	0	0	0	0	0	0	0	0	0	0	0	0	0	1187	0	3664	0	0	0	3089	16577	0	0	0	1524	2945	7598	0	11708	24255	4442	0	0	0	0	0	32930	16409	4306	13784	7085	0	0	1994	0	0	0	0	0	0	0	955	2119	0	1957	4994	0	0	19597	4887	0	6460	3501	0	0	0	2351	8587	0	0	2248	6179	17119	21208	20683	0	1647	0	0	0	14026	0	0	25129	Phytochemical	0.7894737	1.1052631	0.05263158
28	C19 H21 O15 N1	504.0984	504.09912	0.11597902	504.09845	2006	2571	0	1979	4440	2986	0	0	3638	0	1638	0	5096	0	0	0	0	4574	3984	0	5103	3900	0	0	0	0	0	0	0	0	0	0	0	0	2297	0	0	0	0	0	1842	0	0	0	0	7278	26546	0	0	0	1832	1813	2710	0	4308	3632	1158	0	0	0	0	3196	5848	3378	1383	2014	1784	0	0	0	1612	0	0	0	0	0	0	1245	0	0	0	8680	0	0	0	0	0	1074	1717	0	0	0	0	4261	0	0	2056	0	5230	840	1664	0	0	0	19290	0	0	0	0	12772	Phytochemical	0.7894737	1.1052631	0.05263158
16	C19 H21 O15 N1	504.0984	504.09937	0.18885279	504.09848	7176	3392	2653	3814	13393	7081	0	0	18838	7405	3398	2328	33015	3662	3377	0	1885	19387	17868	6704	6103	16637	2124	0	0	3445	0	2023	0	0	0	0	0	0	5401	0	0	1169	1583	2931	10888	7002	0	0	0	7772	18880	0	0	0	2443	0	8156	266	15790	24800	5005	0	0	0	0	4152	22348	16758	4735	10714	7744	1792	0	5832	5553	0	0	0	0	0	0	1760	1530	0	2398	5553	0	1930	18499	2819	1525	5876	3941	0	0	0	0	0	13136	0	6150	0	17337	15211	19610	2134	1587	0	15781	0	13448	0	0	31152	Phytochemical	0.7894737	1.1052631	0.05263158
18	C23 H21 O12 N1	504.11365	504.1144	0.15532078	504.11374	31225	31538	33094	24379	40740	20739	6070	3848	38507	91022	43238	8112	83374	16206	6670	12214	6145	58374	52394	71388	83428	107333	16725	9821	5233	24052	3690	22712	4113	4441	3948	7461	11459	0	122621	4246	11502	9495	8117	46797	45416	11678	1580	0	0	77467	89562	0	5392	4884	25305	30955	24706	0	63598	42111	19618	9572	8824	4451	10355	43534	84843	42055	16002	45396	17894	5581	28499	30912	28651	3329	3759	4275	4289	6534	0	4452	18233	56301	13587	66360	6600	22885	44193	30951	20675	10795	14317	12645	11557	23203	16423	92281	118126	0	28845	30394	38225	35565	40868	15303	3313	14660	66888	9308	31937	0	7926	61846	Phytochemical	0.5217391	0.9130435	0.04347826
12	C23 H21 O12 N1	504.11365	504.1145	0.2365631	504.11377	13299	8803	11496	10535	15623	8261	2672	0	19900	43658	26080	4657	31554	5475	2611	4859	2667	19093	22662	28202	43227	54162	6882	3769	1689	5741	1980	0	0	1103	2167	2197	4757	2078	69794	1911	2996	2330	3699	21714	42873	6722	0	0	0	25673	62866	0	1370	1298	13021	15075	9660	0	27585	18086	5244	4220	0	7043	0	21767	46260	18676	5585	21120	7233	5721	0	11861	23408	2103	0	0	1592	986	0	3283	8313	21857	6379	23009	3215	7744	23268	8694	7466	4108	4571	7421	0	6171	7734	58006	37504	0	13009	14158	16382	20106	20761	6724	1773	0	42083	4413	15267	0	4213	34116	Phytochemical	0.5217391	0.9130435	0.04347826
24	C23 H21 O12 N1	504.11365	504.11435	0.14207791	504.1137	5143	6354	8104	5181	10261	6055	0	1168	11438	27259	5424	0	22979	5022	2973	2180	0	20983	14961	11283	17496	25117	3216	0	2099	2797	0	1239	0	0	0	0	3499	0	24534	0	2394	1647	0	8706	9019	1958	0	0	0	20709	25058	0	1027	0	8496	4488	8609	0	17702	9031	4407	1904	1210	981	1902	9096	20428	9550	3171	9104	3016	0	4507	3843	4405	0	1006	0	0	0	0	1206	5128	17048	6015	16076	876	4157	12510	5032	3932	2162	4304	2222	2312	2279	3447	27761	35928	0	6148	3762	8595	9313	9402	1836	0	0	18021	1440	8819	0	1904	27507	Phytochemical	0.5217391	0.9130435	0.04347826
22	C23 H21 O12 N1	504.11365	504.1144	0.20420441	504.11377	11433	9693	11962	10997	20188	11827	2287	2965	18495	38967	8730	3401	32870	8099	3512	4534	2403	28889	18997	25232	31235	49058	5150	4631	3099	5815	1377	5683	1737	0	0	0	4392	2784	39071	0	5929	4710	1859	18299	19677	8729	0	0	318	35770	44450	0	2438	1431	12533	10101	10363	543	28664	19978	5905	2786	3646	1740	3874	13294	32430	21345	6685	15895	8060	1525	6476	9120	6181	0	0	0	0	0	627	2262	12463	25387	6118	29337	1474	9697	22866	11997	7487	4167	5562	2073	3261	7523	7048	39086	67325	0	12000	9726	17001	17765	14271	2977	1634	6019	40809	3307	20604	0	3392	37299	Phytochemical	0.5217391	0.9130435	0.04347826
16	C23 H21 O12 N1	504.11365	504.11447	0.22389689	504.11377	30828	32815	28844	27291	43588	19447	6504	7113	51466	100216	45587	4269	70244	14710	6888	11646	6082	45771	48192	73788	95930	116403	17156	9723	6642	18538	7934	22531	3545	2612	4958	5516	7490	3591	144152	5397	11122	9069	7711	51616	57940	9738	1340	0	0	73371	95559	0	4124	3658	27445	36676	27828	0	51955	43418	16015	9925	5436	8327	7821	44444	85853	42204	16425	52175	18454	5512	30590	30930	39624	4940	4002	0	6864	2280	0	5094	25577	74277	13740	62077	5999	23562	46024	15547	19108	14917	14927	0	6597	25076	0	101247	119186	0	31425	25951	35803	43087	38508	11063	5907	9823	68431	0	31846	0	6792	74328	Phytochemical	0.5217391	0.9130435	0.04347826
28	C23 H21 O12 N1	504.11365	504.11432	0.11482005	504.1137	5402	3591	4931	4872	5664	4833	0	0	8606	16346	2454	1360	16337	3211	2300	1872	0	8588	6770	6508	9598	13310	2827	0	0	0	955	1831	0	0	1378	0	0	0	17035	0	1278	1826	1034	7170	5976	0	0	0	0	8458	14220	0	0	0	3090	5455	3569	0	9811	5963	2564	1719	1168	0	0	4748	15751	7906	1694	7863	2298	0	3457	5197	6527	0	0	0	0	0	0	0	3493	8887	2437	6642	0	2179	6353	3164	1913	1526	2323	0	2031	2308	3261	13912	22451	0	5313	3766	5288	3278	4962	0	0	0	11185	1615	3939	0	1152	13342	Phytochemical	0.5217391	0.9130435	0.04347826
26	C23 H21 O12 N1	504.11365	504.1145	0.17905459	504.11374	6304	2845	5957	4878	8470	4421	0	0	8247	18383	0	0	18410	3985	0	0	0	11447	5114	7008	16586	17363	0	0	0	0	0	0	0	0	0	0	0	0	21698	0	0	0	0	6340	4649	0	0	0	0	12092	25631	0	0	0	5173	6693	4169	0	14003	9445	0	0	0	0	0	7711	21262	7050	0	7310	2609	0	0	6146	6113	0	0	0	0	0	0	0	3707	6079	3549	10301	0	3105	9837	0	2636	0	0	2022	1749	0	0	15837	28093	0	7261	6431	4054	4192	6836	0	0	0	10489	1481	5663	0	0	16709	Phytochemical	0.5217391	0.9130435	0.04347826
10	C23 H21 O12 N1	504.11365	504.1146	0.24713211	504.11377	12734	11982	8926	7338	17702	5402	2416	2422	28162	38178	30042	3656	34090	7438	3214	0	4240	11598	20538	19084	41714	36660	5548	2796	0	4292	0	0	0	0	0	2350	3228	0	56290	0	2194	5084	0	13064	35580	2594	0	0	0	16970	49382	0	0	2158	7684	10874	9104	0	19428	17900	8532	7667	0	7434	0	15604	38156	26750	5726	18588	4638	4306	16066	9450	28574	2142	3730	0	0	0	0	2048	12870	17588	4772	22252	2882	4898	20552	6208	7058	4924	7022	7458	0	0	3890	40986	34814	0	9020	15076	15450	23028	19732	2306	2216	0	0	2326	16336	0	0	33728	Phytochemical	0.5217391	0.9130435	0.04347826
20	C23 H21 O12 N1	504.11365	504.11438	0.17739005	504.11374	19926	19738	19832	16598	26802	17934	1837	6101	33502	66389	26624	4395	67789	9854	6053	10924	3904	46269	36932	42123	60649	61325	7063	7043	7588	8154	4094	12480	0	1754	4199	1685	5809	3775	69670	1868	11661	7688	4611	25403	34148	13160	1302	0	0	63206	76744	625	3325	3105	16972	19010	20786	0	42031	34681	16164	4984	7486	3495	6234	28355	53625	32151	8502	28012	16099	4203	16286	15813	17107	1755	1519	1625	3573	3473	0	6385	15522	47015	13671	43030	4372	14496	36906	18433	10759	8944	14023	8043	9719	13105	10638	74135	91684	0	18092	27383	28503	30868	30095	9297	3746	14294	57074	6321	34515	0	5894	59092	Phytochemical	0.5217391	0.9130435	0.04347826
16	C20 H25 O14 N1	504.1348	504.13556	0.11550054	504.13483	35771	37038	41346	33693	58055	54254	9554	23356	67162	23850	32378	25258	139257	25165	29777	16249	24539	104789	102576	48529	78687	71845	46603	29946	8594	4136	6978	9812	17665	14861	23152	15500	23739	10504	42001	21712	23343	27697	14691	31502	40856	36375	1899	0	0	144655	312222	0	15647	26168	33517	33596	38610	0	120154	64329	32008	14181	28622	21675	21446	48502	102356	77593	26550	60059	43281	13069	32389	10843	23019	15438	14441	20095	22770	17179	615	29672	21290	71980	21775	132733	8605	9853	72027	34715	17622	22026	32851	0	8733	19738	0	63456	52069	495	34165	46842	71819	40192	50473	39248	20979	17945	234122	25070	65847	0	6588	116735	Phytochemical	0.7	1.25	0.05
28	C20 H25 O14 N1	504.1348	504.1355	0.116166934	504.13483	14466	11214	6464	8924	11880	17284	0	6362	14704	26963	7542	5012	14818	2976	5002	0	5038	12352	12380	26958	40804	15926	4494	5564	0	0	0	0	0	0	6006	4734	5810	2552	17882	4910	4402	4622	2638	19520	23136	0	0	0	0	70884	148450	0	3382	0	9484	7818	9886	0	5832	4430	4456	0	7810	6690	0	34785	9156	6144	6358	5560	5074	3412	15824	8890	24717	8150	3752	8288	7974	3968	0	3926	3750	13370	3142	70989	3522	5820	8058	5120	0	5098	8184	2278	1770	4800	0	18962	15470	0	14516	10052	11422	3046	0	5050	4734	6062	104430	3456	7928	0	0	16512	Phytochemical	0.7	1.25	0.05
26	C20 H25 O14 N1	504.1348	504.1356	0.15259777	504.13486	5448	2970	6735	3500	3902	4260	0	0	5647	5023	3686	0	0	0	0	0	0	0	0	10242	16379	4650	0	0	0	0	0	0	0	0	0	0	0	0	6107	0	2761	0	0	4657	8392	0	0	0	0	37328	82473	0	0	0	4402	4876	4747	0	0	0	0	0	0	0	0	13083	3413	3950	0	0	3866	0	0	3528	4048	0	0	0	0	0	0	0	0	10042	0	34499	0	0	0	0	0	0	0	0	0	0	0	6609	0	0	5101	0	4112	0	0	0	0	0	62492	0	4435	0	0	7328	Phytochemical	0.7	1.25	0.05
10	C24 H25 O11 N1	504.15002	504.1509	0.17772773	504.15012	18947	18040	14790	15633	14799	8779	5905	7789	17508	65013	30058	5768	24628	4660	5204	8303	6911	14191	14376	29487	46225	38161	8067	10447	4849	22157	3640	12916	7015	5899	6443	5245	8875	5224	76036	7222	10711	7486	8768	37673	34737	6657	0	0	0	32171	39422	0	7385	4779	17022	16290	8691	0	18592	11166	5959	8230	6522	9585	0	22699	22319	16953	5912	14736	9905	7491	21921	25248	37756	5860	5281	7207	7770	5292	0	4806	13436	15289	8925	17924	7827	15648	12520	7405	10347	5319	6550	13729	14021	11166	10222	29468	41575	0	16091	18216	16828	13269	14332	8008	5075	9461	15237	7552	10419	0	6480	20874	Phytochemical	0.45833334	1.0416666	0.041666668
24	C24 H25 O11 N1	504.15002	504.15076	0.1961907	504.15015	10227	7501	7696	8939	13849	9804	1898	2039	15032	44094	9207	1641	24446	6174	4541	4711	0	15887	11473	20662	19934	22383	6988	3725	4436	14402	1238	6991	2827	1131	1392	0	3859	2224	36636	0	2674	2356	2116	17325	14489	1757	0	0	0	27697	32745	0	2443	2208	8418	10587	10088	0	14293	14595	4833	2668	4145	1341	3402	14516	22282	11887	5047	16796	7859	2694	12854	27158	21743	3657	0	0	1687	0	0	3364	6610	10511	7557	20980	2366	10310	17819	8461	6342	2989	3181	2464	3067	5747	6751	17230	38591	0	8993	11429	8553	5635	10552	4672	0	5111	21250	3727	9165	0	3437	27598	Phytochemical	0.45833334	1.0416666	0.041666668
26	C24 H25 O11 N1	504.15002	504.1508	0.1314337	504.15012	5897	6438	4140	4443	9496	2641	0	0	9548	26001	5639	0	14908	2049	0	0	0	10508	9867	10069	16611	12308	0	0	0	6969	0	3966	0	0	0	0	0	0	26877	0	1928	0	0	10134	9174	0	0	0	0	18727	19126	0	0	0	5036	4991	6008	0	9565	0	0	3328	0	0	0	9033	15752	6527	0	8289	3595	0	8800	14882	18675	0	0	0	0	0	0	0	5382	7658	2664	6131	0	3566	8833	0	2862	0	0	1415	1378	3609	0	11965	16938	0	5787	5633	0	6633	4812	0	0	0	7078	0	4480	0	0	13460	Phytochemical	0.45833334	1.0416666	0.041666668
12	C24 H25 O11 N1	504.15002	504.15088	0.15182365	504.15012	26361	27265	28846	24408	21252	14250	9218	18576	29843	105067	76303	11879	37538	10650	11942	17742	11098	29623	28587	71171	86562	93783	15922	20939	10796	38430	8092	41818	13289	9242	12798	12960	17673	11841	156013	14180	16094	14085	11625	60819	89122	14471	485	0	0	59736	90428	0	13540	11844	28384	26692	16703	0	35606	20438	13470	19590	17113	13904	25773	49730	51551	30219	8514	27294	16802	14133	50970	56818	63138	14008	11848	9575	11036	9185	0	9431	19845	31514	18009	43730	14101	33238	23413	13022	19932	10301	11776	20306	17363	28651	31468	66398	59168	0	27944	31599	24849	23610	27077	15526	11983	20734	40447	15112	21731	0	10547	35390	Phytochemical	0.45833334	1.0416666	0.041666668
8	C24 H25 O11 N1	504.15002	504.15103	0.25276944	504.15018	8691	8303	6816	7449	5909	4225	1537	2490	6674	33168	15078	2365	14776	2417	3337	4775	4222	4771	9137	20722	26338	22490	4753	5206	1263	6407	2689	4546	2023	4002	2751	2318	3271	2173	39019	2555	3985	2260	5641	10552	20654	2114	0	0	0	13629	21819	0	3884	4021	7303	7876	4386	0	8576	6220	2097	3904	3504	3297	0	11555	12731	8241	0	8425	4586	2970	10163	8424	16011	2683	3276	1323	2775	2361	0	2542	5224	7194	3444	7690	1501	7616	8696	0	7175	3234	3155	6207	0	0	5241	12775	19234	0	10322	4908	8630	9443	9833	2812	1706	4571	0	3513	5857	0	3190	11948	Phytochemical	0.45833334	1.0416666	0.041666668
22	C24 H25 O11 N1	504.15002	504.15073	0.09697297	504.1501	26620	26252	24405	27009	27506	21509	4263	7939	32386	86024	27653	2905	43523	10325	9059	11792	4263	34603	35130	48419	53500	46713	12488	10881	8100	32553	3464	22958	6004	1552	7775	0	8477	4903	83823	3323	13047	9889	1999	43048	29193	9260	0	0	0	64901	63963	0	7669	4840	23821	19552	15951	295	34440	27119	9332	11855	11188	3541	9726	30512	46448	27271	10446	21684	14265	4173	29055	54428	44735	5997	4122	1469	2379	3190	0	3869	16247	22258	10652	42352	7748	22321	30436	19079	11858	10221	11851	6634	11073	17090	11740	51139	65776	0	21686	25558	21090	18727	25119	5658	5315	8228	36663	7288	21900	0	5761	46870	Phytochemical	0.45833334	1.0416666	0.041666668
18	C24 H25 O11 N1	504.15002	504.1508	0.11147537	504.1501	70807	60588	63264	60861	52255	39442	18386	30514	64885	245366	108063	14566	104794	36050	27501	36884	16393	83391	82908	197281	172833	132058	38418	36384	31935	90806	15794	70720	22348	22839	24418	20636	36287	20378	287899	19305	45106	20527	16971	135104	88263	24496	1715	0	0	132295	108188	0	22156	19724	60299	73045	46628	367	88170	55051	26589	32704	31037	13284	28715	90853	109684	61840	23550	70163	37899	13609	92162	125021	101693	23149	16406	17942	14003	19928	0	16860	37403	79402	29942	89318	21512	83774	77365	40933	33605	26992	34019	29595	48722	60669	59930	100398	160545	0	58250	63623	55074	46591	51760	24466	16877	40807	86019	26938	44408	0	23297	91088	Phytochemical	0.45833334	1.0416666	0.041666668
16	C23 H25 O10 N3	504.1613	504.1621	0.09400628	504.16132	13835	15088	17839	15629	16687	11279	17750	35324	20508	18061	9790	17245	21866	6535	19672	21650	18069	20851	19142	15986	25117	66382	21167	26404	34050	5937	27738	7542	15152	14549	16943	13807	28864	12996	22428	19177	20397	17199	21921	25741	17755	14045	0	0	0	22892	49314	0	21672	11582	17949	17606	14225	0	42512	13968	12421	23694	14257	10962	27104	34534	16294	17227	9198	17998	11610	24791	0	8324	0	17620	16286	32218	15550	31396	0	24934	20642	23329	15005	15259	17134	14174	12221	8834	25251	16392	17238	40121	15588	33210	46123	38568	50154	0	20337	40098	11889	13161	10850	20383	15916	19973	0	26916	29990	0	23167	55402	Peptide	0.4347826	1.0869565	0.13043478
10	C23 H25 O10 N3	504.1613	504.16208	0.17943989	504.16135	122904	124576	134880	123308	79108	70928	77388	127164	78496	145572	58820	95476	125984	26924	1012	130552	0	90044	119620	152292	171896	0	109492	0	81860	31772	90004	46388	0	90256	100728	110608	133588	112204	214176	97228	148788	86176	110920	182996	197792	64392	0	0	0	184916	179840	0	146056	0	137164	127000	61520	0	106464	78704	0	129172	94380	117380	142204	0	111716	84248	55460	98060	62484	121480	58396	88800	99732	121316	97956	85144	73360	0	0	77416	121508	74888	103752	111668	83888	76324	90960	58652	119396	71212	0	203723	92440	126760	222288	120620	151748	0	136852	132756	66404	125728	86620	0	74972	132864	104708	124596	53976	0	94784	115228	Peptide	0.4347826	1.0869565	0.13043478
16	C20 H29 O10 N3 S1	504.16464	504.16663	0.6644787	504.16498	112255	107227	121166	120040	102832	111374	53873	147996	164895	175699	105978	69046	261669	52725	143995	102869	55377	239916	218670	247400	252262	174871	142209	122307	88395	69346	40008	49506	123232	95621	103005	113223	117245	83750	213088	130281	112382	92611	45084	156066	82344	98703	3548	460	335	406139	348721	0	100460	132723	121139	118444	94383	370	293297	118889	63935	90101	131002	41871	141912	134270	191623	164438	60934	135732	89025	46285	96261	101065	82422	104428	104442	136136	71358	84013	0	100913	70682	133319	66465	273597	60091	66378	116754	95362	59986	61978	81325	41015	45583	121430	144312	112582	168322	1002	124159	164256	113331	60133	78465	140257	74822	118389	354508	90671	121000	0	62229	186691	Peptide	0.5	1.45	0.15
12	C21 H29 O13 N1	504.17117	504.17197	0.104268044	504.17123	49539	48562	55517	52436	44228	35554	40380	93132	67390	66021	55832	39564	92040	22027	66791	47186	56115	97335	98958	107167	109256	93674	81302	79612	31362	25079	29178	35917	67226	51926	51407	37371	63140	41081	117391	54905	42845	55018	41908	67965	69939	47989	1397	0	0	163635	236520	0	37845	70095	46905	50955	45165	279	107846	56335	34589	43183	74241	51438	84082	70708	81659	63099	27319	54440	46541	41112	54024	34619	44605	51753	46372	59202	45181	44020	0	54786	52590	83261	44320	108584	36610	33003	64177	47563	41933	27140	37852	32188	19972	44527	72770	70872	64309	525	53135	87439	68840	39066	58910	69187	42896	51480	202694	46195	68990	0	35211	81733	Unclassified	0.61904764	1.3809524	0.04761905
26	C21 H29 O13 N1	504.17117	504.17184	0.1644665	504.17126	2941	3249	3447	0	0	0	0	0	0	9734	0	0	0	0	0	0	0	0	0	11539	10681	4377	0	0	0	0	0	0	0	0	0	0	0	0	8585	0	3054	0	0	6015	0	0	0	0	0	20543	23330	0	0	0	0	0	0	0	0	0	0	0	2463	0	0	3530	2262	0	0	0	0	0	0	8615	7243	0	0	0	0	0	0	2723	0	0	0	9937	0	0	0	0	0	0	3243	1865	3152	4131	0	3343	0	0	3556	0	0	0	0	0	0	0	21705	2503	0	0	0	0	Unclassified	0.61904764	1.3809524	0.04761905
10	C21 H29 O13 N1	504.17117	504.17203	0.16626889	504.17126	37563	30586	24159	25459	19662	14608	14530	38894	31454	37450	26164	19239	38805	9788	27688	31047	27473	32787	35675	46268	47466	34573	32606	37037	13531	10266	13201	9100	29124	30572	17923	21572	30352	23697	41295	30889	27176	27096	21784	27209	31185	21458	906	0	0	60876	93024	0	25697	30493	27715	25336	19230	0	43614	28821	17056	24170	27704	26280	45908	18089	38056	31387	11193	23725	22952	23782	18662	11623	19027	25214	26642	31756	20757	20317	0	21553	23222	17821	24065	36512	14310	12182	34345	22762	24852	12545	16063	21315	9068	17976	33389	27982	35081	0	28599	36221	29649	24294	28931	33434	20989	35799	84898	24487	29901	0	14452	32189	Unclassified	0.61904764	1.3809524	0.04761905
28	C25 H29 O10 N1	504.18643	504.18704	0.047168814	504.18643	5756	6810	4113	3730	6216	3144	1008	2640	5545	18229	3979	1553	13228	3061	0	3822	2457	6707	8119	8563	11134	7942	3165	3819	0	12491	1275	5010	2785	0	1906	1950	3937	2334	15970	0	2946	1668	2818	6800	6558	2908	0	0	0	6022	7733	0	4277	0	4051	3969	4568	0	6495	5322	1861	4248	1570	1436	3736	3784	7173	3629	1905	8038	5226	2583	11120	21044	20163	2902	1478	0	0	1100	0	2053	4207	5661	2631	3553	2447	6084	6559	4991	4317	2054	2495	3646	4192	4169	5132	3637	8689	0	5579	4379	4272	5659	6022	2584	1139	2752	2546	3391	3595	0	1911	7973	Phytochemical	0.4	1.16	0.04
12	C25 H29 O10 N1	504.18643	504.18726	0.12003272	504.1865	24437	30111	40772	27648	20886	17051	15133	32148	22126	89849	50010	14831	26086	10995	19643	21843	17881	20803	29409	80253	89959	62496	23872	33689	16615	46550	14812	34021	25109	19587	27081	21941	28307	17497	141583	20669	22682	16332	24303	76317	65142	13827	311	0	0	48981	50901	0	24833	20303	31816	33983	15707	0	30750	15952	11178	39812	20057	29988	21776	47697	32046	23178	9213	26968	16648	29333	33201	76953	79087	24088	19996	20862	14528	17320	0	18086	25397	22829	21595	30681	19620	37205	17922	13669	24659	12232	15108	56486	36441	38025	38785	42327	46439	0	37334	35471	23861	15065	14997	27334	15227	31881	25761	19652	14857	0	22533	32437	Phytochemical	0.4	1.16	0.04
24	C25 H29 O10 N1	504.18643	504.18707	0.07611021	504.18646	16945	22660	18800	17771	26809	17943	4498	12750	23180	62064	25676	7957	37046	12958	11344	10266	3792	22570	30030	49841	48847	32155	17228	18436	8178	46984	5143	19523	8099	7514	9838	6274	16826	10062	57884	8197	9308	6244	9063	36213	28818	9279	0	0	0	35955	35257	0	9517	5890	19929	15876	15544	0	22434	17580	11209	13456	8974	5388	10785	24161	37413	20975	6118	32003	11026	7291	39602	74357	65528	11203	7082	5780	4992	4103	0	7980	19721	16556	12815	20585	6722	21378	28249	9861	13704	9626	9501	7052	11202	13626	19074	19721	39168	0	18157	17766	19538	15495	17454	11239	5727	11944	17604	12310	14699	0	8687	34215	Phytochemical	0.4	1.16	0.04
22	C25 H29 O10 N1	504.18643	504.1871	0.07445351	504.18646	49641	53254	49298	48857	55945	34330	15886	34220	51360	150645	71441	14927	67217	28292	25183	31518	17348	72100	54523	123898	111653	61520	38899	37431	29534	114824	11793	66568	25972	17877	20649	27238	31401	23284	155680	19588	32337	27837	14959	80649	59389	21331	0	0	0	82944	80611	0	27102	22928	52262	53056	33810	384	56769	44180	20521	28275	25620	13479	24564	65967	67176	43154	21620	59886	37076	12893	87357	137277	119465	28407	19432	14267	14078	19308	0	22591	31239	33511	25914	51448	18520	51355	56639	28484	26599	22624	20586	19885	44729	47308	56826	56299	92442	0	40372	54994	45252	34985	40897	28252	18523	24675	53609	31731	40846	0	23801	69138	Phytochemical	0.4	1.16	0.04
26	C25 H29 O10 N1	504.18643	504.187	0.03406359	504.18643	7066	7145	8401	7304	10893	7096	0	0	13889	26969	12921	0	19253	4823	0	7882	0	11580	10266	25565	25922	14682	6992	7728	0	23030	0	9419	0	0	3860	4438	4257	6408	31208	0	6020	3093	3277	11714	11571	0	0	0	0	13914	20470	0	5189	0	12428	7650	8248	0	11746	8589	3886	4730	3685	0	0	8956	14139	8361	3077	7766	4165	2363	26178	37037	37697	3464	0	0	0	0	0	3025	6533	9908	4234	9814	0	7639	12330	0	5483	3707	5184	3378	5832	4726	5586	10349	18645	0	10974	7966	7654	9520	11978	0	0	0	9250	5692	4414	0	3542	22204	Phytochemical	0.4	1.16	0.04
16	C25 H29 O10 N1	504.18643	504.1872	0.09560592	504.18646	83123	80793	82490	73451	49092	42697	38426	75262	62410	249955	107925	39281	84307	32091	55108	67701	50214	79831	90507	217885	195953	120941	57908	68028	53658	141195	34898	101396	55397	55008	64578	66701	79648	49420	285947	58290	69217	43038	45896	166287	98621	42652	1692	0	0	118817	96755	0	67184	56964	81523	79476	48399	0	79193	49108	35806	71454	55767	52367	81126	97426	80001	52061	28816	61852	49044	49306	133662	193639	169169	58500	56936	54483	46401	56991	0	41100	66362	67057	51115	77752	53311	100582	61503	43373	58345	45356	40839	76159	80901	95112	114147	77395	141984	0	82225	93119	47548	40711	48830	67193	34185	74418	77877	67238	47658	0	55410	78951	Phytochemical	0.4	1.16	0.04
8	C25 H29 O10 N1	504.18643	504.18732	0.15092646	504.1865	13913	13972	10824	14240	7688	6757	3347	7262	8618	37276	20939	3942	12273	3214	7620	5051	3746	9062	9297	36821	35387	23336	6351	9078	5697	12055	5807	12503	6078	5840	6192	11361	9369	6753	48388	5009	9340	4606	7227	24689	27203	4680	0	0	0	17304	23551	0	6740	5185	14363	11663	5038	0	10985	5981	3011	7001	2630	6115	6854	10599	12542	7850	3460	8453	4852	6639	12810	19915	24375	7262	5027	4693	4624	6467	0	4146	8021	13262	4935	9413	4901	11451	6441	0	8956	2714	4204	13025	0	14672	11832	16740	22741	0	12014	12462	8020	6791	5175	9189	4757	8364	0	8354	4704	0	5326	7487	Phytochemical	0.4	1.16	0.04
14	C25 H29 O10 N1	504.18643	504.18723	0.10883911	504.18646	58120	58798	57715	51910	32254	28056	33479	55021	39494	158764	90594	33993	47678	21962	34819	58952	37749	43729	51953	148579	146939	103760	42764	61478	36617	88233	27687	59786	44066	35433	36463	43620	56679	32768	195792	41899	45880	32357	41671	94977	102606	25488	0	0	0	74040	74049	0	48378	36809	54534	60978	28522	0	51859	33080	21952	57962	52029	38682	47267	76990	58883	39532	16974	36616	31499	38055	79343	117977	102837	41908	36887	41211	35198	40013	0	24833	42094	46057	36435	50507	38795	66321	35088	24312	41348	28730	33939	68610	59373	55609	71443	60650	89201	0	56250	65072	28526	27388	29654	45429	22100	63996	44593	43054	25214	0	42130	49661	Phytochemical	0.4	1.16	0.04
6	C24 H29 O9 N3	504.19766	504.1986	0.10706668	504.19772	15321	14784	15282	15889	6363	6252	9282	15139	5924	16415	8907	10373	11221	4122	12234	22003	12138	8963	13345	16346	18179	23483	11602	21794	10863	3142	7603	5260	15126	13311	13875	14016	18961	11396	19333	11925	15172	9494	17288	15821	16649	7987	0	0	0	18082	21092	0	21846	11899	15449	14615	7260	0	12977	11845	6380	19726	8717	11285	14963	9930	8283	8587	3366	11150	10423	19952	4850	7776	7433	14342	12807	10831	7829	13399	0	7787	15605	6127	11274	7674	9282	7496	5870	9087	16003	8716	8049	29157	21176	14919	28308	11189	19032	0	17976	12649	6310	16418	17363	15748	7579	19086	10847	13680	8156	0	11159	10950	Phytochemical	0.375	1.2083334	0.125
8	C22 H33 O12 N1	504.20755	504.20856	0.2834174	504.2077	56063	49430	60625	54038	20040	52665	31014	73755	32625	41983	34456	38714	37545	11275	222609	116458	45924	41358	39271	52392	44792	63057	53421	69388	34979	11319	38544	14547	72451	17150	49494	49465	60729	55317	72434	48260	69613	111784	52421	48844	46131	29675	0	0	0	48704	45319	0	69706	67345	42153	43315	24356	0	37005	46657	26167	52069	75131	32567	51689	38177	29456	26619	14047	35185	26629	63853	45142	22873	21155	57826	41811	55875	41643	35761	0	35385	44642	32717	31981	25076	34107	28549	25736	9376	57814	22117	36494	75207	38378	60940	90607	31955	47595	0	45584	56151	15914	51778	50637	58480	30630	66406	178081	42137	20566	0	37141	45185	Lipid	0.54545456	1.5	0.045454547
16	C22 H33 O12 N1	504.20755	504.20828	0.045048784	504.20758	129934	121021	107491	125218	66847	79455	80080	200809	126571	186102	74298	80982	166159	41508	177408	116910	61536	173834	172448	239231	192862	146611	154293	177103	154714	55967	60523	61168	170380	153534	139669	129315	143678	112026	223833	159056	150455	117276	52413	135900	46598	83061	2612	0	0	208371	109413	0	144762	157524	126953	118217	90248	535	244173	99909	63818	122230	182255	42952	169519	107423	153133	123265	48817	104665	75651	46256	56890	97655	42448	151509	132826	179035	85194	112602	0	104982	96817	75740	90818	118555	97598	81352	105306	91696	84205	50905	89494	0	93083	139690	186321	78057	133308	622	124925	171166	91923	68311	76740	147237	79807	159008	121223	127614	90490	529	97906	150968	Lipid	0.54545456	1.5	0.045454547
12	C22 H33 O12 N1	504.20755	504.20834	0.06522608	504.20758	25354	23999	20178	19512	18829	19651	25181	62652	32141	25896	15673	23919	34525	9198	41079	34535	38030	29734	41324	59867	44884	27165	42652	39122	35766	18937	20225	13436	48681	38785	39726	30406	44367	24704	40366	40661	28009	33736	24019	25874	9688	23410	648	0	0	60682	44914	0	33149	45597	22306	23805	21680	0	50027	26147	16251	34804	57855	27565	28693	24956	31922	26300	12270	22452	19625	19330	17163	16787	13887	33893	33716	44209	21390	30811	0	33327	38794	16986	31195	30841	32803	18720	29946	23939	25731	15318	20717	24741	12316	28541	42703	14438	20608	0	24791	53188	15598	20272	25863	40144	28584	37322	31678	27271	26341	0	25616	30985	Lipid	0.54545456	1.5	0.045454547
18	C22 H33 O12 N1	504.20755	504.20825	0.034666512	504.20758	134097	127579	130694	120998	82241	96056	72957	202134	145028	198930	78861	65750	211368	45009	200392	117156	37948	199617	207639	236359	183669	162300	145067	172435	157075	39851	47215	49515	188106	133879	152609	145504	159257	138479	266857	164882	179439	121479	45590	149201	34773	98247	2363	0	0	228082	89957	0	116631	136708	126573	130116	91671	343	323259	86013	63207	125562	192162	30976	150784	111452	170327	157945	50237	108521	94146	38433	47344	108143	34882	147168	119402	171221	57654	123035	0	115826	83241	67251	87810	107900	77825	66918	98362	99758	72857	48320	87155	30808	93805	160330	199929	66300	128382	824	142854	152532	91740	51296	63245	137701	87469	156726	120477	112176	74134	0	75368	172008	Lipid	0.54545456	1.5	0.045454547
10	C22 H33 O12 N1	504.20755	504.20844	0.19847059	504.20764	11491	15971	11881	13216	7096	7363	13310	27702	12066	14990	8236	13669	14119	2950	15456	15746	16896	18646	16891	22587	23936	20493	13831	26464	12931	5449	9450	5340	21682	21212	14637	22205	16544	13641	18161	22593	17909	13262	15621	13273	9557	10540	0	0	0	18798	17969	0	20415	22083	17214	9645	6083	0	20321	7124	6484	16472	18556	14046	23181	8795	11644	12047	4864	9369	9005	14029	11873	9713	6292	15521	16235	24117	10505	16628	0	10652	13840	6278	12670	11585	9817	6833	16264	9119	11989	7393	7554	11892	8305	10291	22723	8857	10039	0	13246	18360	6657	8266	11742	24676	9933	22355	15932	11494	9930	0	14193	12430	Lipid	0.54545456	1.5	0.045454547
12	C26 H33 O9 N1	504.2228	504.2236	0.09921103	504.22287	22299	19555	20544	22651	9542	8471	11010	26347	10772	46882	20905	14604	11433	7825	10110	19483	17095	12082	17436	41797	55139	28135	12522	20830	12774	34257	13224	34041	18262	16132	13223	14492	23789	12328	63638	19429	23382	12526	18105	35274	37861	9559	0	0	0	22803	21513	0	15180	18001	23474	16631	11437	0	12224	4776	8634	19684	5869	13671	0	24775	14029	8417	4254	10061	12330	19718	28606	54596	41945	14364	12728	13078	14296	14509	0	13548	13765	0	11491	12182	11184	22642	9762	7128	15607	6610	11357	31842	18715	23667	26789	13543	29728	0	22099	23668	8595	9607	5836	17754	8769	19982	0	16638	7333	0	14498	8394	Phytochemical	0.34615386	1.2692307	0.038461536
28	C26 H33 O9 N1	504.2228	504.22345	0.09178148	504.22284	5873	3617	4954	4049	5677	3003	1596	4548	4109	12699	6233	2051	9104	2593	2313	4548	3064	5610	9371	10766	14811	5473	3999	5666	2929	19737	1938	5941	0	0	2270	2154	5148	4084	14792	3548	6374	2101	2828	9282	8048	2752	0	0	0	4878	5117	0	5185	4106	5842	5245	4433	0	4434	4337	1115	5266	2614	1736	4633	3730	5727	5260	1639	6823	3211	3122	22876	25339	29673	3582	3336	0	0	2978	0	3016	4290	0	2893	1376	3065	5506	5399	2215	6929	3885	2306	3794	6476	4589	10618	3363	6562	0	5947	6342	2784	5093	5879	2529	1544	3142	0	4117	2553	0	2207	7518	Phytochemical	0.34615386	1.2692307	0.038461536
26	C26 H33 O9 N1	504.2228	504.22348	0.081355035	504.22284	12228	13362	13853	12629	20286	12027	2990	15155	15783	34694	21740	0	29690	12590	0	15514	5538	20590	25163	34031	35952	19108	12686	16149	0	42844	0	18701	5833	7410	9055	7858	11177	9767	32361	9816	14334	5626	5213	22822	22067	9548	0	0	0	17436	14684	0	10037	11492	15706	15360	11465	0	16697	14854	6039	12464	6376	5609	12366	14652	18203	14255	3487	20592	9766	7482	42503	69456	64423	12722	8082	0	0	4911	0	6281	12348	5924	13920	8804	4869	16494	15474	7971	16409	4759	7049	8494	11170	13588	18064	8225	14430	0	17382	15198	12102	16237	18614	17231	3056	0	8456	12306	7269	0	5352	23098	Phytochemical	0.34615386	1.2692307	0.038461536
6	C26 H33 O9 N1	504.2228	504.2238	0.16220035	504.2229	7766	5837	6551	4077	1514	3682	1474	4971	969	9896	9852	954	2806	685	4782	2943	2283	1064	2355	8613	11885	3378	3427	5680	2673	4699	1456	86744	3527	3456	3623	4998	4316	5442	8427	4137	4864	1935	1894	3641	4438	1687	0	0	0	3963	2983	0	3410	5192	6173	3724	1094	0	2076	865	1243	4836	0	1229	2175	3823	2781	1365	0	1505	2360	2124	3480	8374	6531	5949	4773	3370	1421	2484	0	3164	2407	164810	2226	1492	1511	2742	675	0	3635	1699	3141	4653	214755	59104	9798	36975	15113	0	6649	3871	0	963	1319	5826	1211	5017	0	4592	748	0	2630	1496	Phytochemical	0.34615386	1.2692307	0.038461536
8	C26 H33 O9 N1	504.2228	504.22372	0.15301973	504.2229	8466	7120	6589	7947	3954	4106	3049	11265	2613	21329	10774	3413	4551	1645	6208	10538	5980	6315	7121	26481	24720	16380	4810	10306	3874	9809	4204	21877	6288	7053	5707	7783	10835	5085	25244	7290	7467	4683	8070	15674	11251	3388	0	0	0	10578	6199	0	8133	6091	7672	7004	3296	0	6512	2142	3373	7504	1626	3878	6163	7494	3781	3482	2522	4131	4205	6589	7731	15675	15993	6985	7996	6283	4297	6559	0	4224	5391	35604	5011	4052	1221	9296	2078	0	6504	3601	3695	10666	54892	16852	11386	10141	14835	0	11751	9068	2385	2491	3296	9527	3614	10537	0	7527	2586	0	6292	4233	Phytochemical	0.34615386	1.2692307	0.038461536
24	C26 H33 O9 N1	504.2228	504.22345	0.056844342	504.22284	43285	43869	44031	46162	50622	36075	12720	33434	42938	103952	62267	17612	70114	27368	26599	41579	25125	62548	57872	104682	111132	48380	38184	43418	25436	117668	9669	51555	28326	21071	25231	28959	37956	30936	124945	29620	48132	19577	21931	75596	48986	24824	0	0	0	58492	49567	0	31499	28567	39975	39821	33233	0	56765	40920	20708	42584	27320	14902	33784	47198	55873	34463	16940	49606	34951	17890	105824	148569	137494	34599	28464	23282	15869	22316	0	23994	38157	24362	31070	31447	20899	41434	50739	26342	36280	25233	24754	26646	30640	40062	46878	35975	46673	0	49976	42277	32154	35461	41283	30586	17060	33733	36419	33882	35892	0	21535	59166	Phytochemical	0.34615386	1.2692307	0.038461536
6	C20 H33 O10 N5	504.23	504.23117	0.3142967	504.23016	1250	1242	1284	820	0	1150	0	0	0	1471	3053	0	576	0	756	0	0	0	0	0	0	0	0	881	0	0	0	41794	0	558	0	835	0	940	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1146	1619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	815	714	0	0	0	0	534	0	82405	0	0	0	0	0	0	0	0	856	0	104855	28424	1448	16928	4909	0	1539	0	0	0	0	1099	0	0	0	0	0	0	0	0	Peptide	0.5	1.65	0.25
4	C20 H33 O10 N5	504.23	504.2309	0.1407781	504.2301	1136	1136	1426	1763	0	3387	0	0	0	0	2905	0	0	0	586	0	0	469	404	0	0	0	0	0	0	0	0	23583	0	0	0	0	781	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1097	0	0	0	0	0	565	0	0	0	0	0	0	0	280	0	0	0	0	0	0	418	1018	0	420	0	430	381	144041	0	0	0	0	0	0	0	0	0	0	87252	21615	655	15235	4823	0	1663	1192	0	0	0	0	0	0	0	0	0	0	0	293	Peptide	0.5	1.65	0.25
2	C20 H33 O10 N5	504.23	504.23074	0.19053811	504.2301	1653	1129	1067	1350	355	0	0	1159	0	0	3292	1850	0	735	768	0	936	493	413	0	0	666	0	0	0	0	0	32672	915	662	698	949	1336	813	0	883	1128	658	689	0	0	0	0	0	0	0	0	0	983	763	1397	1359	582	0	382	287	0	1326	0	0	0	0	0	431	0	768	0	1167	0	0	0	1436	0	920	0	0	0	1541	588	114522	492	0	0	0	0	432	574	797	489	0	32268	17073	1409	14120	0	0	1013	860	0	353	0	0	1573	0	0	748	0	0	502	662	Peptide	0.5	1.65	0.25
6	C25 H33 O8 N3	504.23404	504.23502	0.17161004	504.23413	5752	4447	6775	4478	1639	2232	5281	9676	1326	5276	3344	3629	1714	912	7968	9792	4441	1877	4031	7796	5313	11614	6253	13327	8422	1465	4008	0	4242	5981	6945	8338	9449	6480	6206	7761	7928	6896	4166	6675	3722	2595	0	0	0	7958	5360	0	9040	6398	6465	7216	2833	0	3026	3014	2700	10684	2274	1059	6594	4374	1351	1925	1992	2781	2525	5148	0	3919	0	7629	4922	6158	3498	5004	0	3689	6772	0	3818	4643	4641	5293	1511	2136	7589	2900	3792	16153	6384	10240	23846	5350	10017	0	8131	5607	0	1851	3288	5976	2846	9610	0	10036	868	0	6824	2053	Lipid	0.32	1.32	0.12
8	C25 H33 O8 N3	504.23404	504.23495	0.18093666	504.23413	12735	9420	8250	8914	3120	4064	9800	13457	5738	6779	3881	6417	10505	2972	10761	9712	6264	4476	7167	13571	8204	21697	6771	17443	13851	1350	8782	6972	12047	10618	9489	12435	12895	11052	10824	10891	13727	10578	8209	12220	8345	5461	0	0	0	13859	5758	0	12754	6966	12341	13332	6884	0	7338	16565	5917	13904	3997	2998	12279	6824	1244	5151	2273	4686	5833	7133	0	8058	3865	13616	9851	8137	6226	8195	0	9710	11684	6294	7898	4707	7450	8766	3767	0	11007	5155	7948	14236	19277	16926	37861	7379	11136	0	14618	10165	1712	17389	25561	12364	6655	18233	0	15620	3568	0	12264	4063	Lipid	0.32	1.32	0.12
12	C23 H37 O11 N1	504.24393	504.24475	0.11458574	504.244	4196	3010	4029	3484	3163	3530	5476	10047	3260	3465	0	4755	1819	1483	8245	7315	6094	4030	6543	6245	5028	0	6868	8106	9349	1637	1646	0	9842	5409	6673	5089	10450	6777	3920	9904	4490	5346	6759	2872	0	3896	0	0	0	3615	0	0	5993	7298	2414	4860	2460	0	6242	3966	1929	7344	5396	0	0	2002	4746	4272	2897	2032	2600	4872	0	0	2511	4157	8008	10293	2964	4684	0	4661	6581	92468	7547	2697	6503	1428	4716	3162	7376	2801	4082	5515	23517	14993	7385	6429	2264	0	1915	4760	3904	3968	5642	5926	6854	8018	0	6460	3635	0	2779	3410	Lipid	0.47826087	1.6086956	0.04347826
18	C23 H37 O11 N1	504.24393	504.2446	-0.016307268	504.24393	49207	43271	45535	55631	24287	31523	43457	82672	45974	57830	25185	31353	69567	20651	83315	56712	22122	66109	89121	61838	39603	40023	63518	79280	69837	11775	36766	20665	92440	59797	63766	61334	71451	50885	69258	74463	70111	48409	17093	31066	7282	34634	1110	0	0	44288	10130	0	61718	60612	49260	44549	31443	508	122607	45855	28313	46132	68409	11277	59060	24669	68537	59667	27161	55102	42299	22555	8449	24695	5511	54129	53366	82327	25994	50283	0	51123	45492	16860	40603	21726	45769	27959	38082	44191	33121	23005	36038	21040	63682	71799	97365	13001	23129	0	47325	49339	22220	24178	32430	63287	36340	63939	23316	51205	34475	0	35597	65905	Lipid	0.47826087	1.6086956	0.04347826
16	C23 H37 O11 N1	504.24393	504.2447	0.036721308	504.24396	28351	26498	37009	29787	14791	20973	33485	46897	27706	18761	15507	19550	34775	9434	50483	44260	16892	28964	51283	35298	23769	20372	42934	42965	39187	8728	24796	12953	49894	48769	43588	39589	46461	31188	27634	60482	40259	30464	17771	18881	4335	19340	503	0	0	31384	10739	0	39199	49813	28734	28386	16406	0	44034	29749	14341	49695	45370	10025	42543	16346	27463	36057	15740	30169	19938	11840	6714	17104	6200	32676	31327	58068	20673	35126	0	32183	32326	9633	25416	13793	31832	13336	36233	25898	35427	14169	20830	0	24362	36832	42378	11377	11520	0	28363	41959	14345	21932	22104	49996	30500	34786	16294	32432	25553	0	27547	26362	Lipid	0.47826087	1.6086956	0.04347826
14	C23 H37 O11 N1	504.24393	504.24478	0.14880064	504.24402	9341	14175	10751	6925	7912	11430	11114	24142	11425	5436	7522	9110	17645	3520	24113	19187	13923	7364	17240	17224	8358	7516	20506	16626	20071	4703	11024	0	25525	23216	17719	19998	19497	13530	8945	27507	14125	14558	15986	7485	3471	11047	0	0	0	12714	6434	0	23324	23529	9656	13039	9513	0	19406	12591	6307	15864	27263	0	22144	5085	11772	6446	6203	11052	10231	12131	0	5419	3390	10046	14869	26340	20137	15861	0	17791	18943	16551	10254	9839	11791	2525	14484	12519	14007	8533	7882	0	18543	12672	19329	4912	7167	0	9205	17335	6180	8449	10852	21729	11846	20310	0	11817	8417	0	10092	7994	Lipid	0.47826087	1.6086956	0.04347826
8	C24 H33 O7 N5	504.24527	504.24622	0.22644028	504.2454	0	2163	2571	2227	0	1178	2670	2928	861	0	904	1773	1286	0	2113	2151	2551	0	1098	0	2218	2494	2229	0	2106	0	2195	4163	2403	1806	1777	3161	3814	1839	0	2718	3774	2641	0	0	1203	711	0	0	0	0	2210	0	2629	1146	1989	2049	0	0	1538	571	0	3316	1565	0	0	0	1690	894	0	1262	778	2389	0	0	2060	2124	3315	3570	1439	2744	0	2497	1150	32969	1674	1202	1218	0	0	0	2575	665	1153	2355	16087	0	4630	2644	0	0	0	0	968	1242	0	2224	1105	2137	0	2833	0	0	1673	1060	Peptide	0.29166666	1.375	0.20833333
18	C27 H37 O8 N1	504.2592	504.2599	0.0326469	504.25922	50410	39755	37035	39859	33333	22479	31599	50463	19048	44072	34050	28840	24401	19962	36610	64880	52111	23465	45318	71217	69505	47129	36392	0	36108	95349	31129	33404	47032	49594	44718	48482	54491	39060	45087	56673	49467	29162	50075	51161	50871	29558	537	0	0	35608	37807	0	44647	43874	48105	39520	31881	0	35977	23512	22792	50768	27295	36044	53306	28341	33472	22384	18135	28154	30300	56347	69596	95548	98735	41414	38525	46660	56661	41417	0	30848	50857	20609	37161	23574	31364	34277	29631	22083	41122	23382	30806	68055	51533	49152	73814	26518	41450	0	47922	44386	22461	18628	25836	61368	25416	49115	19083	43474	29671	0	39358	24255	Lipid	0.2962963	1.3703704	0.037037037
28	C27 H37 O8 N1	504.2592	504.2599	0.09357201	504.25925	6202	3805	5515	6677	8191	3134	1317	4399	4523	10292	7849	2252	8438	3842	3375	5759	4740	4839	7950	9389	11553	4967	3286	6489	3360	26057	3124	10795	2614	4021	3416	5101	5995	4982	12112	3788	5152	2842	3877	8759	11170	2881	0	0	0	4928	5323	0	5458	3665	5105	5817	6382	0	8383	5516	1890	5538	3106	2206	6428	3361	6883	5959	1748	8598	3774	3957	25396	31403	37247	2177	3117	3317	0	4463	0	3028	6471	4067	4414	2538	3015	6580	7600	2151	6664	3271	3914	6169	6204	6365	5810	2222	3616	0	7435	6499	3696	7808	8176	6091	2073	5774	3284	4995	5111	0	2391	5851	Lipid	0.2962963	1.3703704	0.037037037
14	C27 H37 O8 N1	504.2592	504.26	0.1978027	504.2593	8799	8590	10533	8952	4372	4182	9450	9223	2544	12777	9015	4052	3670	2243	4082	11002	9266	2123	4813	18104	21483	8808	6974	10431	11076	10192	10076	8540	9683	7570	6240	10722	17907	8238	13510	12701	10759	7454	11044	13030	4603	4316	0	0	0	10192	8065	0	13211	9619	7585	8720	2615	0	5943	2962	2102	10340	0	6177	0	5835	2403	4130	2965	2709	3655	15377	0	15678	12091	5398	7238	6963	10093	11116	0	6869	4989	0	6807	2611	4225	9732	3850	2819	8924	2831	3243	14094	17509	8688	23506	5440	10238	0	4495	11363	2175	1998	2921	12717	4379	13764	0	11615	2355	0	6837	3915	Lipid	0.2962963	1.3703704	0.037037037
16	C27 H37 O8 N1	504.2592	504.25995	0.091548055	504.25925	15184	16994	14794	16691	11607	10666	14857	21735	7107	27915	13545	11752	6140	8699	16196	29342	21440	5666	14520	37128	30483	17360	14780	24800	18686	30654	11564	13922	25876	20535	19074	19282	21030	19675	25351	25033	24503	15668	29181	24985	16855	13109	0	0	0	12210	15744	0	20727	19028	20492	14196	11534	0	12994	7425	10103	23990	7609	15186	22472	8651	6352	6997	5762	7511	8830	22094	20564	33403	39563	16022	19314	21291	29599	15997	0	12703	19953	17578	14260	7030	11986	15979	10792	5205	19343	10518	10503	35214	27463	16815	33646	10830	17262	0	14633	19849	6350	7824	12204	29814	12451	17939	9077	29530	6958	0	20421	8338	Lipid	0.2962963	1.3703704	0.037037037
26	C27 H37 O8 N1	504.2592	504.2599	0.050403263	504.25922	30909	29985	32596	34289	40397	21830	11629	30252	32176	51300	38884	14659	49170	23986	20524	26603	15048	32453	44414	81398	67390	29590	20357	37537	19590	112353	7845	39505	29758	26227	22901	21505	27167	25111	67175	25842	30488	18785	15185	52250	46503	18055	0	0	0	38495	27846	0	24489	26330	30883	32032	30391	0	36752	24661	16990	27776	20166	12194	30251	28600	28921	25661	10760	32086	23197	17503	96392	111165	121359	26684	25780	24824	13668	18799	0	16385	28996	19047	18174	15454	18817	36994	38342	15397	28749	18376	18552	24870	28495	35130	45405	22776	32224	0	31760	43908	24129	37819	40119	32737	14433	28819	21861	27323	24283	0	15140	37418	Lipid	0.2962963	1.3703704	0.037037037
24	C27 H37 O8 N1	504.2592	504.25998	0.07419238	504.25922	260415	259926	273588	262365	304326	200157	110763	254658	239016	435648	341961	123852	314964	160248	176016	283281	149031	283362	391470	575853	559713	262656	233790	287283	190287	785436	91725	334710	466866	201783	215019	249693	267171	271674	512997	236895	289962	145257	161046	394359	284349	155655	0	0	0	313455	207063	0	239256	216147	269217	250959	230166	0	271089	236277	114522	273018	212169	127116	314208	236079	265254	226338	96285	270081	189450	168618	630429	889803	862611	252069	234336	192441	143211	202341	0	169563	232446	128031	179751	181377	161175	263166	299712	153045	242718	156663	171201	221271	281997	304263	392733	172596	253806	0	283344	289062	191280	223263	229416	291303	119859	316905	169347	256353	214725	0	155607	266853	Lipid	0.2962963	1.3703704	0.037037037
10	C21 H37 O9 N5	504.26642	504.26736	0.3137194	504.26657	0	0	0	0	0	1091	0	0	0	0	1514	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18445	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1027	765	0	0	0	715	0	0	0	0	0	0	0	0	0	1021	0	0	0	0	0	0	0	0	0	0	0	0	86077	0	0	0	0	0	0	0	0	0	0	44603	9953	0	6394	0	0	0	1203	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.7619047	0.23809524
0	C21 H37 O9 N5	504.26642	504.2671	-1.0351E-4	504.26642	0	0	0	0	0	0	0	0	0	0	1057	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3315	0	0	0	1640	704	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8439	0	0	0	0	0	0	0	0	0	0	28441	6574	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.7619047	0.23809524
8	C21 H37 O9 N5	504.26642	504.26727	0.17408682	504.26648	14506	13784	18644	11760	0	5816	3510	11650	2040	14448	15458	4106	0	2812	7282	6558	9048	0	3450	16182	14614	6654	5394	12300	6820	6064	5762	233432	7040	8118	6998	9842	11570	5974	13844	5818	12640	4004	6272	9236	3576	2098	0	0	0	4106	6680	0	8692	8388	17318	14190	2018	0	4156	0	3560	9376	0	0	7868	0	0	2972	0	1822	3300	9688	0	5602	8316	11436	9494	9034	6772	7622	0	4676	5423	849524	4256	0	1276	6254	2034	0	5350	1958	2932	12960	693222	200330	12742	74648	10782	0	18142	12936	0	1548	0	10566	5060	6780	0	8740	0	0	5962	1612	Peptide	0.42857143	1.7619047	0.23809524
4	C21 H37 O9 N5	504.26642	504.26724	0.20716096	504.2665	3076	2374	2329	2405	0	5994	0	0	0	0	2673	0	0	0	0	529	0	0	0	0	0	0	0	0	0	0	0	45446	0	0	0	0	973	0	0	0	0	0	0	0	0	878	0	0	0	0	0	0	0	0	3212	1688	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	378698	0	0	0	0	0	306	0	0	0	0	237214	77580	0	23620	2182	0	2695	3636	0	0	0	0	0	0	0	311	0	0	0	0	Peptide	0.42857143	1.7619047	0.23809524
2	C21 H37 O9 N5	504.26642	504.2675	0.36462745	504.2666	919	810	719	1025	0	0	510	972	0	515	1461	0	0	0	364	0	534	0	0	0	0	0	339	0	0	0	0	36741	1479	2140	1495	2341	1299	2186	0	2754	909	0	0	0	0	0	0	0	0	0	0	0	638	684	720	883	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2306	4022	7355	419	2879	0	372	0	138142	0	0	0	0	0	0	0	0	0	0	52679	17627	0	11057	270	0	919	1031	0	0	0	757	494	0	0	0	0	0	0	0	Peptide	0.42857143	1.7619047	0.23809524
6	C21 H37 O9 N5	504.26642	504.26727	0.18169335	504.2665	7106	9280	9015	8684	0	7527	0	0	0	0	14469	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	163065	0	0	0	0	0	0	0	0	0	0	0	0	0	1315	0	0	0	0	0	0	0	0	8611	7394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	743424	0	0	0	0	0	0	0	0	0	0	576009	207156	0	74113	8065	0	10750	6233	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.42857143	1.7619047	0.23809524
20	C24 H41 O10 N1	504.28033	504.28094	0.039133657	504.28033	5054	16734	16404	9382	11286	7126	45144	15510	14938	5026	0	3292	17726	8514	26244	14312	13130	10644	27438	7806	0	7094	15362	12636	17948	5702	38912	5212	23726	15628	15564	15894	15848	7232	4758	13312	16826	12652	6692	0	0	7394	1832	0	0	6918	0	0	16866	15770	10474	13872	10240	0	32320	10482	4010	16680	11900	4044	17996	0	11698	13930	9540	14256	14474	7465	0	0	0	14522	10112	17942	7760	9440	0	8800	8366	5162	10844	0	61358	0	15482	11790	17588	6428	9816	8302	17406	17588	22306	2890	0	0	10342	10954	7642	11806	6460	16578	5134	10286	3694	10070	3872	0	6540	12324	Lipid	0.41666666	1.7083334	0.041666668
10	C25 H37 O6 N5	504.28165	504.28244	-0.12394578	504.2816	0	0	0	0	0	3233	0	0	0	0	1679	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3996	8966	0	0	0	1236	1442	0	0	1707	1211	0	0	0	0	0	0	0	0	0	0	0	1593	0	0	1041	0	0	0	0	0	0	0	0	0	0	0	0	952	0	0	0	0	0	1731	0	0	1398	0	0	0	862	0	68737	0	0	0	0	0	543	918	0	0	0	41976	4871	0	2461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.24	1.48	0.2
12	C25 H37 O6 N5	504.28165	504.2823	4.12E-5	504.28165	0	0	0	0	0	1281	0	0	0	0	0	0	0	0	0	0	1806	0	0	0	0	0	0	0	0	0	0	16970	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1915	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	123134	0	0	0	0	0	0	0	0	0	0	81224	9799	0	7125	0	0	0	0	0	0	1172	0	0	0	0	0	0	0	0	0	Peptide	0.24	1.48	0.2
20	C28 H41 O7 N1	504.2956	504.29626	0.0695916	504.29562	13867	14018	14885	14052	16204	6375	10047	12089	11111	11695	13940	13529	11883	9175	12178	23150	22866	11783	16955	18202	22696	6082	10995	13772	11099	38882	12974	14100	22327	19472	14278	16972	18140	10182	10867	17664	21199	11458	28120	6582	11123	13344	0	0	0	6981	10116	0	11951	15229	13698	12192	14216	0	15663	7907	5086	19017	7749	16944	20472	5911	9127	9800	7328	9329	11786	24835	24669	23984	26333	8521	14733	20631	26097	17225	0	5038	13104	10681	11784	5949	9954	10136	13200	12750	20310	10957	9668	20428	21788	13169	16389	5758	10672	0	18214	14701	5753	10867	15435	21558	11815	21965	8924	15271	18483	0	11345	6504	Lipid	0.25	1.4642857	0.035714287
28	C28 H41 O7 N1	504.2956	504.29623	0.043424632	504.2956	6146	6933	6675	5308	10528	2251	4725	5879	7113	5046	8185	2583	7323	5327	3949	6720	5716	3408	11321	7639	8320	6865	4126	6078	5896	28072	3297	12097	7225	7643	4644	7355	8889	5757	9001	7397	6146	5149	5516	8893	7438	4620	0	0	0	4913	3609	0	5772	5878	5491	7407	6237	0	9269	10412	2838	6487	3631	3205	7139	5387	4965	9014	3109	7571	6359	8373	24431	20372	29728	4464	3996	4938	0	4661	0	3324	10256	6674	6044	4075	5715	8872	15972	5157	10693	3508	4438	8153	7109	6478	7006	6146	3422	0	6873	6042	5494	14500	19456	7140	1543	7274	4451	6425	11718	0	6472	5622	Lipid	0.25	1.4642857	0.035714287
26	C28 H41 O7 N1	504.2956	504.29636	0.057168193	504.2956	53889	43773	50231	50047	81180	34692	19784	45438	56182	53431	63683	22256	51826	35719	33083	51123	44441	46612	72685	90633	83957	40929	40993	62443	46806	162939	22359	75087	47829	57475	41276	50749	62105	44385	63008	49474	59204	35256	38602	65844	51422	39685	0	0	0	49141	33909	0	50180	49718	49021	50047	58596	0	73015	58134	24189	56894	41663	28086	64975	33495	47085	45096	19726	40276	38114	47764	141410	125009	145253	46472	42437	44686	25358	39145	0	30519	53636	44498	32472	27821	32815	48112	71387	41314	59187	34774	35612	43849	50923	69102	73684	31214	39645	0	44790	52769	42710	63844	63411	73207	25522	72702	29812	48451	64447	0	38126	50786	Lipid	0.25	1.4642857	0.035714287
14	C21 H45 O12 N1	504.30145	504.3023	0.2503183	504.30157	253846	248804	263340	251168	31367	40474	94032	22567	27622	126477	723231	17478	27333	81688	22521	17668	23155	15162	15971	66670	16395	61899	19001	33832	21996	26237	179858	1177248	13508	24165	10081	11721	14817	7196	24582	14177	13681	27927	12667	571788	158763	33589	97446	18369	19702	531756	533124	26726	12679	21107	180709	204524	19004	28640	21010	10561	34802	44886	3112994	481702	816145	1073769	115039	16419	49620	79787	118433	14323	347807	111036	143109	16557	9398	19198	10136	14852	31092	12322	11576	586517	11952	37048	25406	20248	18805	57772	6619	25420	22964	17242	111456	90673	49257	241712	63745	18841	202868	302560	29812	11956	22108	19155	13232	2055363	23341547	11335	21872	28612	13374	43577	Lipid	0.5714286	2.142857	0.04761905
4	C22 H41 O8 N5	504.3028	504.3032	0.4763549	504.30304	0	0	0	0	0	1555	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35625	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35193	0	0	0	0	0	0	0	0	0	0	63299	18905	0	1273	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.8636364	0.22727273
6	C22 H41 O8 N5	504.3028	504.3037	0.100034565	504.30283	1064	0	1815	840	0	2395	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20994	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	950	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	125012	0	0	0	0	0	0	0	0	0	0	100440	38604	0	7079	0	0	1094	2405	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.8636364	0.22727273
8	C22 H41 O8 N5	504.3028	504.30316	0.0898131	504.30283	0	1913	0	0	0	1435	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24023	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1289	962	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	180898	0	0	0	0	0	0	0	0	0	0	144578	63647	0	7091	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.8636364	0.22727273
10	C22 H41 O8 N5	504.3028	504.30307	-0.04130896	504.30276	0	0	0	0	0	1673	0	0	0	1067	2377	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3785	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3980	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38662	0	0	0	0	0	0	0	0	0	0	96516	25640	0	2528	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36363637	1.8636364	0.22727273
24	C25 H45 O9 N1	504.3167	504.31674	-0.073846325	504.31668	0	0	972	1094	0	0	32793	0	0	0	0	0	0	1805	0	0	0	0	0	0	0	0	0	0	0	0	10209	1231	1874	0	0	0	0	1069	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1258	0	0	0	0	0	0	2053	1660	3169	0	0	0	0	0	0	0	0	0	0	0	0	0	0	755	12605	4017	0	0	0	0	0	0	2366	3127	0	0	0	0	0	0	0	0	0	0	0	0	3028	975	0	0	0	0	Lipid	0.36	1.8	0.04
26	C25 H45 O9 N1	504.3167	504.31723	0.03608387	504.31674	0	0	0	0	0	0	10440	0	16426	0	0	0	0	0	6183	0	0	0	0	0	0	0	0	0	0	0	11909	0	0	0	0	0	0	0	0	0	0	5870	5410	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14234	22486	0	0	0	0	0	0	0	0	0	0	5354	5209	0	5219	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4948	3328	0	0	0	0	1836	0	92870	0	0	0	0	0	0	0	0	0	2952	0	Lipid	0.36	1.8	0.04
14	C29 H45 O6 N1	504.33197	504.33286	0.13839164	504.33203	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5559	0	0	0	0	0	0	0	0	0	0	0	0	0	1413	0	0	0	0	0	0	1910	0	0	0	0	0	0	0	0	0	0	0	0	1125	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3136	0	0	5458	0	0	0	0	0	0	0	0	0	0	0	2739	0	0	23427	0	0	0	0	0	Lipid	0.20689656	1.5517242	0.03448276
12	C30 H46 N3 S1 Na1	504.3383	504.33917	-0.5477348	504.338	0	0	1575	0	0	0	0	0	0	0	6342	0	0	0	0	0	0	0	0	1873	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5082	0	373	0	0	2349	3786	0	0	1866	2234	0	0	0	0	0	0	0	0	7411	43668	0	0	0	0	0	0	0	29770	0	1868	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6515	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0	1.5333333	0.1
26	C26 H49 O8 N1	504.3531	504.35266	-0.031204809	504.3531	0	0	0	0	0	0	20480	0	0	0	0	0	0	1874	0	0	0	0	0	0	0	0	0	0	0	0	3924	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.30769232	1.8846154	0.038461536
14	C22 H16 O14	505.06128	505.0622	0.21666759	505.0614	2210	0	3286	3154	12075	2472	0	0	15032	1804	0	0	17088	0	0	0	0	6847	7762	0	0	10744	1071	0	0	0	0	0	0	0	0	0	0	0	2182	0	0	0	0	0	5605	1312	0	0	0	0	8961	0	0	0	0	3782	5610	0	8794	11689	3355	0	0	0	0	1184	28701	11095	4729	8198	1845	0	0	0	0	0	0	0	0	0	0	0	3182	0	1670	5127	0	0	20393	0	1196	2374	2762	0	0	0	0	16703	3152	0	1500	0	15574	28034	14642	0	0	0	0	0	9331	0	0	18179	Phytochemical	0.6363636	0.72727275	0.0
22	C22 H16 O14	505.06128	505.06223	0.3269172	505.06143	3368	3800	3756	3774	18601	7362	0	0	16837	3497	2273	1049	28272	7065	1259	0	0	18976	12889	0	2323	8830	2296	0	0	0	1518	0	0	0	0	0	1334	0	4676	0	0	1401	0	0	1404	2456	0	0	476	3472	8813	0	0	0	4996	4901	7089	274	19204	19717	6496	0	0	0	0	2317	34236	16053	3362	18563	2958	0	0	0	2184	0	0	0	0	0	347	0	8316	4572	3260	5333	0	0	27487	6700	3310	2250	2425	0	0	0	0	13089	6914	0	2812	3129	8660	27801	21916	0	0	0	9421	0	14136	0	0	35405	Phytochemical	0.6363636	0.72727275	0.0
20	C22 H16 O14	505.06128	505.06213	0.34085664	505.06146	5296	3502	6724	7399	24501	7065	0	0	23490	0	0	1054	44582	6285	2032	0	0	18323	12960	0	4668	12747	3772	0	1362	0	0	0	0	0	0	0	2221	0	6890	0	1711	1271	0	0	4119	1976	0	0	288	1869	13254	1509	0	0	4784	6038	6368	0	21591	23161	7457	0	2360	1204	0	4440	46152	25890	6090	28281	5021	0	1414	0	2461	0	0	0	0	0	310	1610	7740	9468	4993	8405	0	0	32768	7823	5028	5890	4585	2065	0	0	0	18464	5952	548	5973	5132	13942	38734	28655	0	1101	0	8393	0	19383	0	1307	40513	Phytochemical	0.6363636	0.72727275	0.0
18	C22 H16 O14	505.06128	505.06213	0.2083813	505.0614	3016	7888	4995	5511	20485	5925	0	0	27845	5150	3295	1926	38876	5517	1859	0	0	15649	12865	0	4637	14900	2543	0	0	0	0	0	0	0	0	0	0	0	3000	0	2204	0	0	1298	2083	1492	512	0	0	7098	15243	627	0	0	5433	7922	9831	0	20261	23728	6419	0	1838	1182	0	2600	50652	18718	5345	25257	5614	0	0	0	0	0	0	0	0	0	0	0	7474	9917	5226	9429	0	0	33854	10836	5289	4673	3733	0	0	0	0	25382	8919	0	3563	2992	23335	33197	31968	0	0	0	8229	0	16174	0	0	36174	Phytochemical	0.6363636	0.72727275	0.0
24	C22 H16 O14	505.06128	505.06207	0.37870032	505.06146	8676	6298	7462	9046	30670	15044	3102	0	20122	5800	2426	2194	66350	11024	0	0	0	38562	23162	3006	0	18173	5592	2926	0	0	0	0	0	0	0	0	0	0	8052	0	0	0	0	3356	4460	0	4392	0	0	5004	16504	0	0	0	7800	7840	14892	0	39126	32086	8138	0	0	0	2474	3936	62456	25230	5684	27598	10636	0	0	0	0	0	0	0	0	0	0	2300	11500	13184	10512	7558	0	0	33046	18798	6360	4408	3206	3808	0	0	0	19792	16672	0	6768	12882	13614	29022	46326	0	0	0	9506	0	23188	0	0	62284	Phytochemical	0.6363636	0.72727275	0.0
26	C23 H20 O13	505.09766	505.09842	0.16189098	505.09775	5044	3669	6078	6036	13493	6017	0	0	14828	9811	2276	0	35104	3604	0	0	0	22847	15438	0	9792	10489	0	0	0	0	0	0	0	0	0	0	1784	0	14753	0	1596	0	0	3855	4865	0	0	0	0	8257	15812	0	0	0	4044	5668	7363	0	20304	14922	3430	0	0	0	0	0	28260	12542	0	14918	0	0	0	4074	2323	0	0	0	0	0	0	0	7839	8807	5974	9452	0	2358	17783	8888	3638	0	0	0	0	4945	4028	8851	21091	0	2996	0	5101	12730	8931	0	0	0	9002	1555	10634	0	0	27093	Phytochemical	0.5652174	0.8695652	0.0
24	C23 H20 O13	505.09766	505.09842	0.31540516	505.09784	9955	8920	7464	9725	20094	10265	0	0	20411	17443	4343	1990	42228	7095	4640	1257	0	25834	20006	9304	9922	20646	4293	1636	3077	0	0	2532	0	0	0	0	2117	0	21368	0	1445	2461	0	5995	4524	0	0	0	0	12606	19961	0	0	0	8222	9000	7837	0	23755	18065	6309	1054	1918	0	2472	4209	38822	18063	4218	21838	3633	0	0	2644	8230	1111	0	0	0	0	0	2517	5693	9642	11105	16187	1903	5508	26254	7389	6193	1361	2991	0	1566	2821	3525	19335	24234	0	9696	6127	13891	21520	21207	1460	2378	1589	14548	1357	15398	0	1701	40228	Phytochemical	0.5652174	0.8695652	0.0
28	C23 H20 O13	505.09766	505.09824	-0.05098706	505.09766	5709	5101	5383	7364	10084	6787	2174	3410	10657	11945	3437	2077	19737	5152	4863	3430	3974	17582	13659	7759	6156	9159	4079	2957	2707	3314	1407	1955	2012	0	2574	1058	1063	0	15351	2207	2552	2787	1540	5075	3816	4676	1936	0	0	7575	10423	0	2363	0	5082	5115	6637	0	18423	10153	4171	0	2069	0	2116	3370	20872	8818	3443	13166	4111	1782	3234	4390	4662	1540	1679	2533	2486	1313	0	2694	6415	5267	5394	7447	1766	3308	13498	7667	4572	2807	3562	1570	2598	2583	2477	9072	11866	0	6213	5017	8100	9585	8247	2812	2692	3231	7572	2933	8198	0	2230	18838	Phytochemical	0.5652174	0.8695652	0.0
22	C23 H20 O13	505.09766	505.09842	0.22532721	505.09778	15365	15554	15184	11454	27784	14258	2632	2865	33326	31705	8706	3210	60491	10494	7126	3244	1506	46938	35160	12223	26220	41368	10188	3080	4977	3848	3536	5868	1381	1853	0	0	3013	0	30476	1186	5990	5204	0	10029	9266	2395	0	0	0	31102	43227	0	2458	2373	19198	19783	18374	405	39113	28315	11172	4036	3797	2408	0	8245	60105	28949	8741	34157	7854	1740	4770	6123	7958	1261	0	0	1874	1825	533	5071	19773	18764	13024	33551	1759	4642	41469	19469	13035	5184	8308	1961	4516	8684	4667	36001	40225	0	8275	14852	24584	35350	32050	3924	2029	3530	31778	3098	26418	0	2944	56977	Phytochemical	0.5652174	0.8695652	0.0
20	C23 H20 O13	505.09766	505.09842	0.26146066	505.0978	23582	34555	32461	24997	53294	32067	5952	4290	65934	60428	25206	3182	122646	21101	10169	5865	2655	58894	54597	27908	37310	74339	21859	4839	6863	8949	4691	9062	2840	2555	2873	2642	7501	1721	67224	1325	10020	8945	2615	24649	16882	11210	1950	0	0	48597	69625	984	4581	3865	31609	33436	36827	0	60546	52221	21120	5372	7643	4602	6507	21807	106481	59572	19397	66941	19499	2400	9646	4493	9129	3306	2232	0	0	1725	390	8192	25654	43091	16306	51388	4836	9277	70172	29857	20836	12555	12932	3403	7071	16677	6849	62165	59207	0	24839	27751	43394	60120	62893	6430	6029	7292	56504	2467	43407	0	7606	105148	Phytochemical	0.5652174	0.8695652	0.0
14	C23 H20 O13	505.09766	505.0985	0.19318236	505.09778	34140	37203	29387	30405	47749	31682	6784	7087	70266	70966	54263	6503	96822	20712	14395	7886	5229	61916	60945	44165	58602	114283	22595	8485	3725	7844	8543	7897	3320	2557	5819	0	10875	5202	109319	4878	7287	17206	6369	29689	38192	14558	0	0	0	57454	114468	0	4517	3833	36633	41282	34899	0	57992	53602	28763	7159	7076	13575	0	26599	115194	67724	23223	60617	22867	10250	16896	15843	26858	4008	3672	3810	5752	5164	0	7923	29761	81179	22168	63728	4695	9110	66579	28328	27778	12606	17849	17567	3601	15612	13543	99121	69767	0	35875	34026	60302	79534	65394	12878	8483	7164	79801	12435	50988	0	10005	83840	Phytochemical	0.5652174	0.8695652	0.0
18	C23 H20 O13	505.09766	505.09848	0.22195701	505.09778	47763	36652	47449	38398	73488	44925	9493	5855	78841	78557	34419	9303	153545	28845	20084	7128	3576	82890	84714	53114	51962	105045	30666	9875	5349	5834	7458	14954	3075	4175	8245	7498	15574	0	119511	5263	15375	20060	8871	37557	30424	13791	1674	0	0	64664	87607	467	6499	5126	37648	40462	46892	0	107794	74751	26915	13112	13526	7017	8878	31493	158047	78945	26471	90900	24142	5397	12877	17330	19039	3223	3210	1604	4748	0	0	8950	39131	63035	32813	90278	6297	12245	91288	46997	29224	19400	20320	7531	12320	17816	17746	102097	105838	0	44723	38350	67918	82854	75653	9612	12549	10918	71371	10006	55089	0	9201	124256	Phytochemical	0.5652174	0.8695652	0.0
10	C23 H20 O13	505.09766	505.09854	0.20478351	505.09778	6976	8571	4316	6059	13436	5599	867	0	15435	20044	10377	3212	23071	4332	2121	0	2442	6929	10508	5957	13961	17831	3362	2182	0	0	1401	0	0	1025	0	0	1244	1093	22387	1499	3142	3110	2288	3744	9103	4493	0	0	0	7602	21936	0	1497	0	5420	8690	7754	0	12378	12164	5604	2504	2227	2179	0	4569	26765	14823	4953	13433	4497	2932	0	1642	7384	955	0	0	3697	0	0	1577	8619	9556	6403	9710	1085	1195	18912	6020	5679	5099	2453	2444	0	2033	1944	18647	13073	0	5145	6249	17247	23996	18304	1915	1844	2299	0	0	13169	0	1245	24744	Phytochemical	0.5652174	0.8695652	0.0
12	C23 H20 O13	505.09766	505.0985	0.1568816	505.09775	16152	18472	22250	22675	27788	11060	3908	5362	41562	41951	27991	4944	44298	8179	4894	4751	5097	29435	34298	22618	29642	67174	10432	4446	1713	3545	2694	0	2097	1292	2499	1355	3966	1972	59007	1528	5029	6070	2756	12896	26191	7500	323	0	0	28565	64189	0	3853	3060	19298	22975	17226	0	34036	31568	10913	9124	0	0	0	13773	73420	30672	8059	38747	11090	4690	0	5733	20343	3492	1882	1106	2446	3205	0	4922	21075	25012	16271	30787	1870	1344	41442	10732	12404	9366	10187	7393	2559	4957	5260	61383	41176	0	24502	16312	37035	46593	37371	4992	2906	3961	33013	7720	32516	0	4802	44739	Phytochemical	0.5652174	0.8695652	0.0
14	C22 H20 O12 N2	505.1089	505.10977	0.26648068	505.10904	8114	13341	7661	8885	12806	7375	2767	2093	17337	14995	11006	4011	26359	3633	3394	5174	3426	12423	12011	16380	25851	45616	4926	3313	0	0	1579	0	0	0	1785	0	5756	0	34446	1776	2335	4386	3477	18571	27028	5404	0	0	0	24573	75674	0	3244	0	6888	9356	10090	0	22179	14061	5616	0	0	0	0	20337	34562	20505	4815	18866	3581	2227	0	4404	7443	0	1260	0	3167	1616	0	3510	5040	32391	5250	30481	1592	6155	19085	5398	4692	5275	4292	5275	0	5128	5977	39112	32188	0	11288	8415	9428	17707	14650	0	1479	4502	39977	5200	14431	0	2167	23272	Phytochemical	0.54545456	0.90909094	0.09090909
10	C22 H20 O12 N2	505.1089	505.1099	0.3605609	505.10907	5307	4335	5333	3757	4163	0	0	0	10495	8237	7370	1778	12456	2745	0	1323	1040	4483	8068	4707	11807	13771	1424	0	0	0	0	0	0	0	1199	0	1313	908	15263	0	0	0	2073	7478	18710	1900	0	0	0	7376	22985	0	1906	0	5374	4471	3269	0	9385	7043	2401	0	0	2413	0	8394	18772	10125	1447	8365	2734	1461	0	2505	3349	0	0	0	0	0	0	0	1254	0	2142	8916	0	0	10702	3976	4284	1846	2573	2124	0	2551	2636	16090	8092	0	4643	3752	6622	8733	8423	2208	0	0	0	0	4868	0	0	14134	Phytochemical	0.54545456	0.90909094	0.09090909
20	C22 H20 O12 N2	505.1089	505.10977	0.16144466	505.10898	2539	4596	2668	4683	5189	4516	0	0	4969	5065	3394	2386	8313	0	1382	0	2264	7114	4744	4673	4642	14884	1923	2115	1825	2457	0	0	0	0	0	0	2250	0	7697	0	1648	0	0	7672	6245	2755	0	0	0	18932	30830	0	0	0	5808	2580	3031	0	8933	4896	2894	3598	1008	1155	2593	8294	11081	7857	0	5292	2964	3597	0	0	0	0	0	0	0	0	0	2042	3257	6708	2145	14870	0	0	7305	2870	3649	1971	1804	3310	0	1813	3960	15404	13214	0	3034	3770	3235	8461	4384	1726	1612	2098	25819	2176	6510	0	0	10297	Phytochemical	0.54545456	0.90909094	0.09090909
8	C22 H20 O12 N2	505.1089	505.11	0.22170605	505.109	0	11002	3704	7370	4494	1760	0	0	12944	10076	8430	0	22322	0	0	0	0	10287	11550	2146	7657	14500	3152	4724	0	0	0	0	0	0	0	0	0	0	9490	1816	0	0	0	0	15840	1240	0	0	0	5338	19402	0	0	0	4332	0	5448	0	14550	17620	6742	0	0	2130	0	0	45324	14522	0	10172	1826	4880	0	0	0	0	0	0	5272	0	0	0	0	0	3748	5510	0	0	15396	0	2646	1800	1428	3160	0	0	0	11530	7564	0	4212	10140	3838	24638	18164	8632	2932	0	0	0	11964	0	0	23548	Phytochemical	0.54545456	0.90909094	0.09090909
16	C22 H20 O12 N2	505.1089	505.1098	0.27015805	505.10904	6771	13123	9530	9807	10403	6353	2248	0	16204	16436	8362	3200	29042	2958	4425	4325	3634	13534	12429	8747	25659	32217	4122	4571	0	0	1160	3387	2819	0	0	0	2310	1540	27676	2237	2557	3132	2396	14057	24502	5299	0	0	0	38179	57174	0	2795	0	9503	10109	6574	0	19925	14400	4888	2221	2929	3216	0	13693	33531	16531	5443	16561	7464	3380	3444	0	4616	0	1875	0	1806	0	0	2633	7353	24994	2832	31789	1676	6131	16085	5279	5508	4591	5899	0	0	7145	0	32565	34666	0	7526	7804	8792	8324	13264	1793	2240	2029	33611	0	7734	0	2591	21164	Phytochemical	0.54545456	0.90909094	0.09090909
18	C22 H20 O12 N2	505.1089	505.10977	0.27064636	505.10904	9164	6463	5477	7967	7709	2940	1524	1994	10564	11538	4086	1890	21041	0	1448	4180	2429	8520	11837	7097	19288	23406	2409	2617	2908	1627	0	3540	0	0	2284	0	3919	0	14200	0	2310	2779	0	7443	14964	4294	435	0	0	25777	46161	0	0	0	5804	6633	5159	0	11877	10289	3951	3868	1955	1249	0	13565	18057	11335	3405	11315	2383	2051	2735	0	4161	0	0	0	0	0	0	1900	2592	16710	4623	24219	0	3947	12305	4186	3833	2961	3402	3977	0	3607	5256	26562	27428	0	5256	9729	5639	9420	10251	0	2702	0	23829	2155	4909	0	2528	22302	Phytochemical	0.54545456	0.90909094	0.09090909
12	C22 H20 O12 N2	505.1089	505.1098	0.28980303	505.10904	5530	5265	5509	9556	9470	4955	2236	2409	12738	14239	6627	1694	18870	3267	1519	0	2856	14025	12944	7863	12784	26490	4840	0	0	0	0	0	0	0	0	0	3469	0	25972	0	2185	1811	1864	12962	25311	3917	0	0	0	17274	56127	0	1268	0	8182	4902	7059	0	15520	9173	4309	0	0	0	0	15410	31290	15663	3706	15449	4530	4624	0	1700	7125	1800	0	0	0	925	0	1154	4780	0	2340	21384	889	0	19047	3463	4873	4080	3817	5322	0	3671	0	25170	15939	0	7591	5690	12046	15018	12326	2148	2439	0	27869	1606	8303	0	1327	28193	Phytochemical	0.54545456	0.90909094	0.09090909
14	C15 H29 O15 S1 Na1	505.11975	505.1206	0.3836913	505.11996	4819	0	0	0	3216	0	0	1926	10256	16539	10380	0	13039	0	0	0	0	4514	5796	6382	23020	16969	2245	0	0	5009	0	0	1696	0	1915	0	2675	0	22263	0	1511	0	1260	5991	7518	1081	0	0	0	0	8634	0	0	0	0	2995	2633	0	7101	7866	1394	0	0	0	0	4261	11461	4484	0	4506	0	0	0	7498	9168	0	0	0	1258	0	0	1426	2361	0	1448	20196	0	2802	5781	0	3500	2260	2496	0	0	2393	3842	11979	10811	0	5807	3212	2812	2502	4654	0	1307	0	0	1601	2523	0	0	9988	Organosulfur	1.0	1.9333333	0.0
12	C15 H29 O15 S1 Na1	505.11975	505.12045	0.34304485	505.11993	3421	0	1810	4394	2371	0	0	0	5837	5847	4833	1005	8788	935	1430	1660	0	3303	2959	4114	5763	0	1448	0	0	4851	0	0	2030	0	2106	0	1713	0	31252	947	3797	1307	0	3170	5302	2097	0	0	0	4746	0	0	0	0	2295	2564	1404	0	4539	5933	2771	2061	0	0	0	3656	13351	5322	823	6716	1390	0	0	4726	3317	0	0	0	1152	0	0	1045	2447	0	1294	1024	0	1198	3096	3565	5251	1160	1883	0	0	3984	2274	6872	4482	0	2846	0	0	4538	3556	0	1743	0	0	0	3531	0	2258	4323	Organosulfur	1.0	1.9333333	0.0
28	C24 H24 O12	505.13406	505.13474	0.26757097	505.1342	3579	6321	6350	3825	8749	4600	1336	0	7924	18152	4877	0	17931	3946	2388	2148	0	14306	7251	12687	9868	8515	2711	0	0	4610	1100	3054	0	0	1092	0	2392	1439	20228	0	2344	2777	1074	6476	4554	0	0	0	0	9253	10470	0	999	0	6908	5629	5109	0	12071	7198	1579	2818	1379	0	0	5131	16349	8262	2808	7643	3035	1284	6075	9754	7678	0	942	0	0	1208	0	1219	4599	3963	3968	8184	1270	5215	10938	3502	4471	0	1326	1708	2622	3532	0	5425	12646	0	5962	6262	5866	8085	7455	0	1679	0	8431	1516	7171	0	1803	13088	Phytochemical	0.5	1.0	0.0
22	C24 H24 O12	505.13406	505.1348	0.19099669	505.13416	34336	44271	30652	30581	49330	38166	6640	8014	63649	110412	29940	9847	84900	20422	15765	8933	7553	67291	50000	65764	68152	70038	22698	13096	15009	25226	8454	16597	8149	4822	10481	6400	9758	8006	113136	7684	16453	13208	8496	41552	29101	11671	0	0	0	88351	78835	0	9776	6261	34186	36827	29622	330	73167	48682	16348	13137	18222	7223	10396	35490	89580	59187	16021	61544	17690	4181	24839	55532	37035	10823	6304	5863	2646	7191	322	13977	26594	39143	26456	70813	7071	24542	60432	33415	29344	11232	13014	8286	12387	24967	14222	56170	69653	0	32136	23444	45143	48476	43955	8560	11590	19653	71666	10464	45248	0	13092	93174	Phytochemical	0.5	1.0	0.0
10	C24 H24 O12	505.13406	505.13492	0.16555548	505.13412	20927	18751	14294	18037	14099	8006	8390	10116	17625	50808	31199	9749	21203	9633	8387	11030	11078	16939	19416	29693	31964	30324	9714	17087	5636	13892	11402	15959	8143	8836	8687	9088	13698	9536	62354	7713	9698	12421	9567	16950	27644	6443	0	0	0	25484	50712	0	7854	7678	16919	18717	7533	0	17379	13513	8399	11442	9391	13777	12964	19107	21693	14183	7446	14604	7729	12372	19225	18164	30550	7929	8392	6670	8588	7690	0	6628	17854	9133	17389	21523	6821	8369	19781	7848	11034	7458	7661	11536	4565	9126	8713	23424	34578	0	18817	14708	15653	19980	18306	8593	8064	10348	23614	7826	16486	0	7579	20482	Phytochemical	0.5	1.0	0.0
24	C24 H24 O12	505.13406	505.1348	0.3046298	505.13422	36618	25692	29196	31820	46920	30454	6122	9778	53968	111976	24352	6976	92632	18086	16384	10020	0	57478	51216	54560	65268	68164	23120	13212	14736	27948	0	16238	4932	0	7668	6228	7210	3046	108846	0	12914	9086	3062	32246	29636	8558	0	0	0	81704	71698	0	7456	5768	32108	27398	32406	0	69738	46008	18446	6048	10260	6756	6744	33349	94686	57094	15644	51856	15700	0	30415	60950	37698	5404	3048	0	5608	4326	0	8168	25578	35922	25434	67166	8336	25912	57912	30438	13752	8854	16796	5632	12354	17398	11542	43582	74362	0	31576	23742	33852	42604	46534	8966	7540	7236	56150	7678	35486	0	8610	96612	Phytochemical	0.5	1.0	0.0
10	C23 H24 O11 N2	505.1453	505.14615	0.14041783	505.14536	25926	29662	27644	25586	20922	9689	10326	16729	27272	64160	38351	14695	41259	6312	12615	17704	16498	26557	29376	49348	57619	61464	19013	26573	7420	10117	8694	14541	14172	14373	14361	18373	21410	17159	83020	13631	24612	15216	15551	57342	65363	10884	0	0	0	60427	87956	0	15402	15415	31340	27705	12982	0	33475	21896	11585	19734	12619	17685	13817	38554	43366	23555	10401	28777	16514	17652	26244	26272	35270	12496	14473	12288	13484	13715	0	14644	21025	30923	15108	41211	10008	22480	25854	14281	18653	15210	13004	29823	11516	24611	34150	51414	54203	0	22582	24691	19213	22622	19175	19005	11881	29752	45811	19859	21351	0	11642	40365	Phytochemical	0.47826087	1.0434783	0.08695652
16	C23 H24 O11 N2	505.1453	505.1461	0.1528094	505.14536	36726	33875	41924	33608	32942	30118	15368	27798	35949	90708	34099	15154	54251	16578	23495	27953	16547	52111	38445	67825	82656	95546	21997	30466	20880	14537	16322	24016	20521	15850	21380	27219	32923	16162	120052	15417	33803	22258	23279	76921	61711	20210	441	0	0	88245	77602	0	28862	22082	34374	43394	25879	0	48348	33241	18462	24119	25572	18118	22156	50726	65091	39848	14046	45270	26012	20711	14395	40768	36292	26658	18543	13685	20208	19748	0	19569	31687	49094	27965	67004	20052	47537	41267	20280	30217	21413	21766	31402	33521	52901	44534	59101	90208	0	41719	35942	24056	36646	26849	24447	14544	26866	72297	28843	32086	0	19342	77949	Phytochemical	0.47826087	1.0434783	0.08695652
8	C23 H24 O11 N2	505.1453	505.14624	0.20009273	505.1454	17099	17089	13944	14886	10060	5813	4254	7689	12108	36759	17446	8407	20321	4272	9234	10667	7662	13087	15116	23657	33037	32002	7964	10643	3764	4282	5934	5419	3852	4833	4192	5770	7461	8367	52343	5811	6946	5820	12889	22698	37011	7357	0	0	0	27966	51570	0	9218	5986	17261	16503	7246	0	19528	10947	6103	5438	7330	11113	6158	18190	25631	17092	5993	16160	6416	9256	9450	8299	21538	6760	5862	4993	9753	5810	0	4439	10845	10043	7993	17772	5924	9480	13528	5612	6865	6071	8559	13767	0	9752	16769	28073	22076	0	11832	14747	8871	16437	18213	10056	5605	11713	17571	8600	11503	0	6395	20684	Phytochemical	0.47826087	1.0434783	0.08695652
18	C23 H24 O11 N2	505.1453	505.1461	0.19950454	505.1454	25658	24931	30296	21491	27031	21055	10010	13159	23301	55703	24932	9699	43959	11487	18203	10881	8691	37839	33059	39224	48751	61170	14676	21789	9985	8890	10750	12016	13374	7607	15843	9739	19592	5475	89670	9409	16102	10259	12654	58768	31327	9931	0	0	0	62752	58597	0	14956	10083	23794	25600	18847	0	44283	21812	11980	11547	16485	10339	15489	36259	45617	24814	8501	33570	15683	11910	10775	19587	18991	13053	10166	6051	5381	10669	0	13793	22099	31378	14931	45435	11055	25696	23560	12597	17979	11276	14633	17346	12868	30616	35022	44910	46842	0	20728	20563	18080	21303	18857	14230	11295	18915	38324	18216	25414	0	16426	39014	Phytochemical	0.47826087	1.0434783	0.08695652
6	C23 H24 O11 N2	505.1453	505.1463	0.26104024	505.14542	9370	11284	7308	12568	8052	3596	1606	6456	14854	24548	16318	3446	14256	3148	1446	5146	3844	10132	8840	12254	26202	20596	4868	8102	710	1834	4536	4696	2856	4098	3854	4862	4690	3044	34778	3850	5898	3348	6318	10576	28058	3202	0	0	0	11702	30380	0	3982	2488	9708	10226	3920	0	10640	9744	3226	8102	4500	7958	7464	10132	23042	11922	3412	15688	4950	7404	6442	4438	12744	2840	6074	1932	3600	2544	0	3456	6254	9534	5688	9820	1974	5306	12056	4110	5172	5022	3882	11598	0	4986	8188	18806	13632	0	10724	8218	8028	14172	12396	5178	3342	4234	0	6912	8948	0	3298	14526	Phytochemical	0.47826087	1.0434783	0.08695652
20	C23 H24 O11 N2	505.1453	505.14606	0.19845733	505.1454	12868	12925	7392	9727	10719	8189	5030	5629	12611	31262	6008	3394	21680	3757	8202	7286	4291	14458	17446	15723	16511	30582	8434	8370	7855	5763	6413	4062	3918	2254	3838	5505	5519	4736	29553	4527	11420	4967	4642	30174	16191	2486	0	0	0	24029	29672	0	4287	2338	11132	10046	7725	0	15868	10172	5492	4652	6636	3953	6676	15974	22866	12975	6223	15849	4986	4893	3789	9238	7602	3424	4246	1514	6200	3536	0	2793	6363	12462	10943	26801	3946	8778	10536	6352	7679	6860	8094	7872	9829	14030	11477	28073	27848	0	13689	16526	4264	8961	8525	3952	3396	6703	26008	7597	9591	0	7124	24786	Phytochemical	0.47826087	1.0434783	0.08695652
14	C16 H33 O14 S1 Na1	505.15616	505.1568	0.3203944	505.1563	17776	19676	11292	13644	13428	10876	0	5680	14544	73356	21058	5101	31466	11292	4781	0	0	43244	21101	30400	41854	29506	9956	15691	16678	22700	7108	0	6646	8568	4786	0	9886	7304	125648	4347	10529	10202	5556	25764	38468	6388	0	0	0	23486	31560	0	4978	0	14870	7732	6310	0	26022	13472	0	4787	14430	0	0	19448	35212	12178	6074	19474	11598	11030	27332	90470	17766	10198	7264	2451	7640	4007	0	4075	8674	0	8742	25856	11144	20360	10829	0	16912	6562	4434	8586	19022	15196	27259	26332	67120	0	20762	15672	11450	10457	12480	15028	9548	6461	0	4154	14566	0	9181	20781	Organosulfur	0.875	2.0625	0.0
20	C25 H28 O11	505.17044	505.17114	0.1459697	505.1705	202529	212071	205826	183222	201902	166054	84197	148145	248271	588054	211044	83067	309815	124715	137184	128773	65035	264121	241627	447776	401932	267352	142526	152621	122145	285580	75924	175314	127819	104499	135517	122202	152409	122036	669486	109928	164796	113796	74052	308938	178521	84752	6577	0	330	360576	279120	700	129365	116564	217652	196938	157384	818	256935	166877	101597	140087	142074	64526	128480	207579	300465	213259	89050	217759	127993	78208	222911	445574	326663	148237	123416	117025	75154	125134	0	116731	168283	128227	145502	217917	103705	229968	200614	127060	142749	87437	108618	87175	157551	171705	177242	183255	245103	938	213286	215310	180711	162410	153343	120462	95335	145375	242045	125429	154684	958	98095	342687	Phytochemical	0.44	1.12	0.0
22	C25 H28 O11	505.17044	505.17114	0.13516401	505.1705	117285	91018	80061	105726	107008	88393	36377	62416	134018	294138	107500	45347	174670	73914	64985	52995	31127	158155	123599	218461	198494	132383	76390	73325	54537	134923	28822	82862	62413	43066	49861	57198	67602	51173	306905	50038	72740	54872	30125	126383	92038	35655	3126	0	439	179170	138485	0	54435	52105	97549	106404	79415	723	133901	95725	51361	56963	63709	31840	60502	102932	185931	113040	49642	118914	55918	31264	116817	247963	173501	55410	53273	45412	26000	49540	0	44973	83689	54015	80559	124536	48782	89808	115788	73526	72019	41226	52266	41522	71144	79987	83725	92579	147682	0	99694	95816	97681	100302	82328	60505	45327	72441	118045	59678	91372	0	48517	194466	Phytochemical	0.44	1.12	0.0
26	C25 H28 O11	505.17044	505.17114	0.19092146	505.17053	15192	15264	16363	13680	23004	14809	3977	7922	29453	53646	13466	5358	50524	10128	8746	10392	5681	33948	27090	37340	36472	22495	11944	10251	6738	23887	2923	13901	0	0	6859	0	8233	7420	54092	0	7888	9731	5942	19375	14562	0	0	0	0	24405	29023	0	6515	0	18432	13869	16075	0	25501	24357	7934	6318	6826	6787	7830	16565	37749	20505	6911	28825	7993	4757	19837	38045	32202	8599	5126	0	0	6514	0	7002	18876	10981	16187	18008	5668	12567	23675	13299	13984	7221	6023	3295	11808	15340	10317	18350	32352	0	17104	14877	18266	21553	16684	0	4414	10580	17787	6984	15152	0	4804	37231	Phytochemical	0.44	1.12	0.0
28	C25 H28 O11	505.17044	505.17117	0.22583652	505.17056	9550	7539	7748	6189	12249	7338	1744	4215	10009	22448	6214	1931	21877	3821	5452	4345	0	14302	13991	20375	16329	9119	6708	5719	2774	13406	1328	7553	3531	0	3225	2316	3563	1693	23403	2565	4278	3269	1598	7976	5466	2652	0	0	0	9701	10427	0	3974	5546	7656	7582	7771	0	10354	7445	3442	5320	2730	1722	4976	5019	15666	8473	3233	11664	4728	2534	10514	24362	18406	2918	2796	2495	0	3170	0	3361	10879	5879	7067	4906	2887	8444	11740	6506	7382	3306	4018	2330	5479	7589	5690	6673	10300	0	6191	4991	7238	6253	10973	3885	2017	2814	5469	2269	7401	0	2155	15068	Phytochemical	0.44	1.12	0.0
10	C25 H28 O11	505.17044	505.1713	0.16863914	505.17053	20894	15598	9548	13153	7878	6190	12603	18659	9821	33917	20370	10768	8684	3040	11689	19221	12810	8655	10839	22284	55716	34372	12364	17980	7566	21489	11736	11296	12788	14761	15431	15731	15896	10243	76226	15223	12917	11419	18849	21170	49690	6223	0	0	0	19153	31616	0	18428	15616	13335	14907	5626	0	11424	5204	4624	13023	13809	18234	15144	9380	11546	11092	6276	7994	6856	18279	14598	20187	32633	14930	14252	12809	13609	13186	0	10664	17172	8891	14250	17233	16403	15410	9578	5630	16157	5217	7594	21676	7486	9795	16502	13904	32402	0	11621	16059	9978	8130	12012	13961	12330	18263	15356	12617	8444	0	12367	9578	Phytochemical	0.44	1.12	0.0
18	C25 H28 O11	505.17044	505.1712	0.14689268	505.1705	294640	280013	255141	270393	236977	168399	123090	218589	269772	776397	342586	133633	327597	130698	195998	186735	104512	308948	326176	624172	508047	343807	200700	209901	143084	357206	110883	250083	212103	169734	191979	209047	232840	188973	897935	187142	213206	166200	129867	903766	260889	123560	6678	0	502	884312	343490	457	205430	172713	274770	267217	179179	625	318119	203658	131718	197796	189523	104624	202805	528600	351554	235521	110217	272379	163897	127448	286257	549870	456314	200031	178576	184693	122477	198090	340	140519	221617	175657	208169	346214	152506	279469	247481	155789	192477	121689	143149	140225	203506	234307	240812	222140	720530	1669	277615	251642	241536	195465	192145	177067	131480	211486	279236	167487	187983	768	141007	331133	Phytochemical	0.44	1.12	0.0
20	C24 H28 O10 N2	505.18167	505.1824	0.1604162	505.18176	26384	18514	19664	21283	13746	14876	12916	22439	19862	41876	17783	10214	25276	11219	18244	18233	11238	14869	20375	25933	32047	35976	16036	21204	30413	6164	11162	15273	17127	12266	12225	13499	18035	13983	51240	11860	31687	12282	6803	25309	18324	13355	0	0	0	26323	12663	0	19003	14610	17978	21269	18191	0	22690	11788	9918	22263	17431	7247	18744	18040	22485	16166	8722	19866	10848	5688	8156	18151	12602	15545	14123	9560	7425	11566	0	14959	22483	16822	15790	11369	15259	15455	6045	10995	24069	15609	16098	11332	25829	36157	39930	20596	27229	0	18039	13267	10961	7730	9555	22098	14066	19744	19762	20372	10729	0	18343	26413	Phytochemical	0.41666666	1.1666666	0.083333336
14	C24 H28 O10 N2	505.18167	505.18246	0.06710599	505.1817	85866	86758	94652	81990	45409	51210	51049	82059	53658	157194	75492	47023	73225	26348	58200	92156	106001	55127	69077	132743	116028	152250	57826	93147	70710	36365	52564	61401	80002	72646	71765	116392	96489	69697	199785	68505	98678	48136	103630	139243	99376	48382	0	0	0	126253	102848	0	83260	71274	92741	88473	46864	0	69490	46986	24805	108627	105765	51196	97959	97210	62911	52759	28216	59994	56146	99010	42326	101365	63581	69248	71792	59783	70123	72430	0	54669	61393	61596	44402	73662	61418	70017	40175	38283	65744	47855	50971	110940	81964	104488	124629	90584	99277	0	92313	84760	29689	55086	60136	103210	49243	102591	73398	81043	32536	0	54097	68731	Phytochemical	0.41666666	1.1666666	0.083333336
22	C24 H28 O10 N2	505.18167	505.18243	0.21667305	505.1818	34909	27818	31274	23550	28720	15081	8755	15866	28731	50415	57764	9388	31204	11900	15833	23423	10597	30530	27729	53071	66194	37570	24585	20416	18249	130220	9575	60101	18219	11985	13280	17033	24281	13546	73125	11707	22671	15352	11270	42960	40284	16848	0	0	0	38732	37245	0	13892	13190	26110	25595	23592	0	32599	26073	15538	20069	15510	9341	23119	46901	30124	20968	15716	23888	22643	12744	97582	105272	137904	13325	15674	7535	6989	13004	0	6273	28325	21243	23730	26821	4808	42269	32598	15987	31552	14857	14036	14922	31981	25210	21181	28925	35970	0	24283	31636	21718	27923	26495	14787	8930	20124	18737	21331	22581	0	16747	29331	Phytochemical	0.41666666	1.1666666	0.083333336
16	C24 H28 O10 N2	505.18167	505.1824	0.044032052	505.1817	77661	69937	71569	73551	38950	47333	42645	73586	53038	163672	59524	38040	68696	25125	60840	64126	38266	76787	74523	118487	106114	122291	65195	80934	73530	32530	39432	51707	72187	58473	66531	64750	93910	56368	184747	63053	83508	53256	50412	122472	70448	40970	599	0	0	104344	65935	0	71484	56613	72863	72663	48016	0	72779	46621	36265	72236	78583	40748	70720	80019	62955	55007	29032	66795	44904	34500	29174	74747	35092	62815	58044	60593	37614	47658	0	46315	60797	65852	43774	65578	64948	68398	39142	29952	62566	41944	43743	66053	88454	116048	152996	70586	100916	0	70199	70517	32046	39530	45139	70418	38676	73476	65753	92585	32151	0	59031	80973	Phytochemical	0.41666666	1.1666666	0.083333336
6	C24 H28 O10 N2	505.18167	505.1826	0.10829753	505.18173	10988	11222	9437	11463	6926	3631	4974	10528	7750	18480	9864	5695	10620	2072	7550	10518	5944	6126	9337	14982	25445	17276	7275	15506	5697	3614	3958	5674	4797	5836	6872	7049	9796	6267	25987	5818	7864	7436	8068	12847	16853	4936	0	0	0	12802	18993	0	9274	6227	8356	10671	4916	0	9355	6503	3426	9443	0	7288	10139	7895	11604	10647	2131	8321	5829	10007	4403	8243	9357	7673	6891	4430	5040	5801	0	4741	6516	5916	4446	8254	4567	7711	5955	3021	7538	4479	7096	10524	6401	10682	16513	10247	16807	0	9865	10875	3867	8043	8186	10832	4188	13189	0	10361	6192	0	5631	9157	Phytochemical	0.41666666	1.1666666	0.083333336
18	C24 H28 O10 N2	505.18167	505.18237	0.037660755	505.1817	59575	46339	39149	45550	27476	30019	28112	43121	39946	106770	43296	19739	60047	23201	42515	44343	22285	47786	51591	72239	60090	82499	36754	50844	55539	17216	30567	36681	43329	32330	38104	36724	52144	36322	115785	38595	53884	31423	26024	74929	35244	24289	689	0	0	70205	29693	0	48724	28014	38500	47944	32159	0	54850	32430	26556	37610	50872	15970	50096	50347	53822	40870	18069	43491	30572	22343	15570	40435	26867	38706	31895	36777	22080	27038	0	26774	44983	38646	29899	41990	38909	45965	28832	26989	40555	30090	33874	36540	67169	78149	90227	34206	62657	0	41427	46908	19997	22888	27291	52251	25033	55981	36617	50144	22528	0	40314	45081	Phytochemical	0.41666666	1.1666666	0.083333336
20	C29 H28 O8	505.1857	505.1864	0.10864133	505.18576	11883	9304	9749	11489	8422	5462	2714	7455	11186	20173	31332	3402	6257	6978	3199	5070	3678	7535	13300	19135	22115	12396	5876	8043	5354	77774	5895	18635	4552	4108	2810	4068	5369	4350	28903	3108	3901	3919	4734	14025	16769	4230	0	0	0	11019	14557	0	6243	0	11143	11717	8427	0	5329	7901	6815	7367	0	3022	6077	11021	8530	5996	4150	10638	6217	6362	54021	60319	95068	4125	4962	2547	2527	4707	0	2592	11601	7033	6517	6972	4399	19394	11942	7850	11813	3858	6374	10243	8217	3665	7796	9757	7318	0	8888	3361	9668	12820	6768	5053	3193	8227	8019	6895	9276	0	3371	7023	Phytochemical	0.27586207	0.9655172	0.0
26	C29 H28 O8	505.1857	505.18634	0.10508051	505.18576	5238	5429	7793	4916	7896	0	0	0	10292	11872	21997	0	6560	4865	0	0	0	0	11288	11921	11070	4965	0	0	0	42809	0	17221	0	0	0	0	3354	0	11296	0	2933	0	0	11861	14317	0	0	0	0	0	11262	0	2458	0	7597	3416	3448	0	6685	0	4366	3406	3308	3941	0	6889	5056	6067	0	8916	5018	0	62916	33519	57070	0	0	0	0	0	0	0	6385	8949	4989	5226	0	13492	16365	0	4672	0	0	2634	1952	2995	0	9442	7255	0	8458	7083	8108	12448	8381	0	0	0	9448	1956	7386	0	0	4798	Phytochemical	0.27586207	0.9655172	0.0
28	C29 H28 O8	505.1857	505.18622	0.08888577	505.18573	1494	2989	1771	1703	2242	0	1078	0	1808	4284	5401	0	2686	1011	0	0	0	0	0	0	3011	1649	0	0	0	14846	0	5115	0	0	0	0	0	0	5932	0	0	0	904	2471	4344	0	0	0	0	0	3839	0	0	0	2598	1995	1428	0	0	2382	0	0	0	0	0	1747	1740	1666	1543	2311	0	0	15628	9596	27089	0	0	0	0	0	0	0	1640	2853	1929	1395	1676	3250	3830	2319	2279	1926	0	1033	0	0	0	4117	0	0	1593	0	2340	4603	4959	0	0	0	0	0	2414	0	0	0	Phytochemical	0.27586207	0.9655172	0.0
14	C26 H32 O10	505.20682	505.2076	0.09848402	505.20688	114356	124235	110028	117015	55589	45774	88949	115419	68681	127330	109621	78925	63124	39221	82841	127476	105691	56259	72160	147954	134183	95568	89012	125888	75160	130247	88507	97854	80401	98899	90610	130087	99643	66991	308174	99052	102231	73203	113256	192910	147852	50320	0	0	0	97955	107549	0	97054	103894	102298	102188	50579	0	81982	56682	47979	126359	114068	122521	143456	80405	83708	71455	35496	62382	50303	108450	114801	145946	158032	87685	81442	108546	100837	92928	0	73379	121337	59286	99542	78623	92172	75927	76798	44707	117044	56942	56851	160085	84109	84603	130827	77258	82732	587	119069	110916	67180	67271	65418	94299	65237	124487	84831	91312	57377	0	95660	67529	Phytochemical	0.3846154	1.2307693	0.0
24	C26 H32 O10	505.20682	505.2075	0.10870356	505.20688	115624	119219	103983	114822	117127	88000	48428	93715	131401	294810	110576	53489	203062	62661	80696	91717	39278	143867	175933	252422	221437	111500	103783	91056	71298	174105	37322	102655	75268	65224	80071	78464	84511	72291	296900	78397	118571	64521	47498	156789	86421	51531	0	0	0	133453	97564	0	78528	71749	113496	120848	85412	0	162269	105956	57678	90255	81097	33424	95940	90539	176504	124462	46114	126784	66928	50185	142536	286999	218337	92409	74429	69145	44586	63826	0	71262	121540	45634	100946	81377	57679	88516	121250	70148	96441	52482	70091	49513	84027	117821	134390	77105	105069	0	109058	110788	89628	106789	93089	77184	50317	88854	80036	86637	83850	0	65679	189504	Phytochemical	0.3846154	1.2307693	0.0
12	C26 H32 O10	505.20682	505.20764	0.11114659	505.20688	35229	41076	36225	46835	17134	10618	29622	44733	19017	41841	30406	21487	11394	8228	22306	40377	40020	12259	21383	96832	43213	34312	30370	48266	18865	33874	32266	29365	29908	33446	33691	35722	24492	19147	86304	29988	34807	26784	45970	30356	55555	16349	0	0	0	35566	39579	0	35600	42189	34223	37888	14242	0	20078	19089	12208	42015	29655	47862	38218	21831	18224	16930	12806	13662	14880	48607	20786	35531	44951	28058	27904	35683	39603	35086	0	24116	37180	22215	30641	24705	28086	22725	23271	13354	35573	10425	15277	64754	21537	29688	44885	18697	33237	0	33426	37777	19928	17675	19352	37145	19485	47734	0	30352	17546	0	29700	14336	Phytochemical	0.3846154	1.2307693	0.0
26	C26 H32 O10	505.20682	505.20755	0.11428656	505.20688	33984	39934	39399	36608	43882	30856	11859	29480	52770	94130	35798	15701	74482	20047	35279	30884	16281	53262	65151	80254	85930	41418	30635	34989	19912	67854	9847	31437	24753	27146	24656	31317	29282	20770	103560	26862	32887	25526	17090	48237	35581	13937	0	0	0	39376	33389	0	26802	22126	40472	41010	32813	0	67352	47174	21364	25820	23768	12320	24466	29047	64015	45367	15179	51322	29571	21953	54524	116759	88014	26314	20896	16708	17089	23402	0	22455	41113	21700	32100	27521	20853	29506	50215	24795	30223	16495	21663	18776	30214	27083	39416	22638	43501	0	40557	44346	26087	48097	42619	26578	15095	31258	25049	25129	37039	0	16450	66641	Phytochemical	0.3846154	1.2307693	0.0
28	C26 H32 O10	505.20682	505.20752	0.087670974	505.20688	13900	13674	13925	15669	15094	9748	5126	8556	18213	36461	11873	4648	29687	9038	10716	13318	6638	19652	23828	34270	32117	10686	14439	13109	8471	29814	4851	13422	8936	8193	9004	7677	9693	8239	37884	9851	11324	7825	5608	16266	11269	7769	0	0	0	13104	10138	0	12985	8716	13357	11196	12215	0	19223	15489	5038	10879	6410	3497	13409	9946	23729	13533	4167	22669	9742	6035	27085	50336	37931	11032	6585	6155	4748	8137	0	5838	16323	7349	11540	7057	7822	11173	16300	10328	12749	7352	7578	7136	11284	12932	14415	7950	11970	0	14373	12725	10613	14449	15655	11187	4815	11526	6848	9122	10042	0	5587	23147	Phytochemical	0.3846154	1.2307693	0.0
6	C20 H32 O11 N4	505.21402	505.21475	0.23209481	505.21414	4956	5343	3209	4943	0	1021	0	0	526	2062	5345	640	0	0	1414	0	1689	2178	770	0	0	2622	706	1749	1163	0	0	19941	0	0	0	1131	1786	1415	1464	0	1217	1143	1237	0	0	0	0	0	0	0	0	0	0	0	3231	4228	0	0	0	654	523	1888	0	0	0	0	602	0	0	635	546	0	0	0	0	1424	1121	816	0	864	0	638	887	24942	0	0	0	0	0	0	1019	698	565	1025	489393	112804	0	10347	8261	0	4489	4970	0	0	0	1739	749	0	0	2526	0	0	769	986	Peptide	0.55	1.6	0.2
8	C20 H32 O11 N4	505.21402	505.21487	0.22332627	505.21414	3543	3328	2948	3312	658	1412	0	0	0	0	1725	726	0	0	1164	1059	857	0	1243	0	0	1826	0	0	0	0	0	13518	0	883	0	0	1541	0	1264	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6344	3452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1131	1505	970	0	0	0	0	11375	802	0	0	0	0	0	1087	0	613	1555	473815	146669	0	7202	5327	0	2599	2511	0	0	0	0	0	0	0	2695	0	0	693	0	Peptide	0.55	1.6	0.2
10	C20 H32 O11 N4	505.21402	505.2147	0.22843345	505.21414	1529	1232	0	1889	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2677	0	0	1090	0	0	0	0	2429	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1294	0	0	0	0	0	0	0	0	1558	0	0	0	0	0	0	0	0	0	0	0	1434	0	0	0	0	0	0	0	0	815	0	0	217882	58255	2966	1326	1596	0	1817	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.55	1.6	0.2
10	C25 H32 O9 N2	505.21805	505.2189	0.12485998	505.2181	25282	20248	20109	19650	10079	11374	12777	29371	10855	41730	16099	12397	12902	5082	17060	24060	14192	13332	14541	48476	40374	40524	20120	31282	14712	11122	10605	12523	21586	16183	17249	23610	28562	18278	49226	22762	31328	14718	14208	41981	25887	11763	0	0	0	29418	15974	0	24417	18289	23619	19004	9955	0	14441	8805	5265	27739	13826	10495	30454	20177	12600	9331	4240	14135	14438	17422	9026	26658	17691	21321	19216	16950	9507	23915	0	16067	15626	15076	15976	10176	11570	19692	7507	9215	18758	10440	11438	26417	26682	24743	44167	18843	29607	0	20878	20425	5324	6806	7648	28025	10778	26648	0	24240	8713	0	15373	12909	Phytochemical	0.36	1.28	0.08
14	C25 H32 O9 N2	505.21805	505.2188	0.0317232	505.21808	34788	44611	35955	31595	21403	18136	30496	50188	22872	57940	30007	26276	21070	10261	36252	45120	32362	24224	36435	65670	58066	59198	33548	48029	33839	23091	23399	27072	40405	35268	35207	41980	55128	33810	76055	44885	45156	29741	37780	58800	34463	23104	0	0	0	41663	31604	0	50865	34264	40842	33681	21695	0	26298	20727	14187	44405	42739	26882	46626	36835	16571	22134	13823	22128	24702	34119	19077	40808	21427	33081	35342	32388	26150	33355	0	31459	27547	37661	29037	21361	28531	28835	18340	12193	33160	23519	25728	44829	64447	62479	86180	34657	40002	0	39955	43373	11085	25561	25803	43052	20855	49228	20004	37365	13845	0	29449	20378	Phytochemical	0.36	1.28	0.08
8	C25 H32 O9 N2	505.21805	505.21893	0.1314475	505.2181	10475	14467	14025	12837	6866	7970	9095	14756	7226	30425	9193	7515	10830	3461	9977	12647	9405	7715	12373	30083	22210	21275	10791	20879	12720	6510	7061	8427	13302	9659	12184	16121	18392	9858	31517	12744	15662	8736	7502	16439	17463	8507	0	0	0	18721	11024	0	16798	11549	14409	18115	8093	0	8430	6146	4880	17134	4315	7353	16545	14091	9448	9350	3160	8784	9435	11361	6402	16085	12916	13123	11675	11742	7494	9201	0	8956	11123	10744	7762	6054	8309	13950	4658	0	12780	7737	7653	20179	0	13298	30564	11335	20792	0	13089	14700	2888	4659	6515	16342	5752	20262	7493	13529	6035	0	9993	7142	Phytochemical	0.36	1.28	0.08
16	C25 H32 O9 N2	505.21805	505.21878	0.028082293	505.21808	50348	54810	50467	43744	24230	28669	38174	55957	30063	62544	38507	25742	44138	16142	45579	50052	33701	37019	42521	91567	61448	74574	48597	66561	58755	20981	31267	28219	49552	44306	53655	57909	72998	46943	87352	52081	60978	37167	36702	68319	37269	28952	292	0	0	48720	29779	0	60091	42396	55385	41336	27690	0	39103	35439	27349	54977	54629	20594	49417	45881	27284	19893	16193	36845	29968	33736	14168	45685	15761	54673	38637	45356	31838	46199	0	35531	32476	25046	25964	33567	51332	44012	26309	22441	42920	31197	28752	50718	65781	90644	96144	33559	58824	0	51110	48460	17228	69132	74139	56971	29442	55327	24833	56152	21346	0	41331	37098	Phytochemical	0.36	1.28	0.08
12	C25 H32 O9 N2	505.21805	505.21887	0.11274996	505.2181	30666	31929	28697	25526	14681	16346	19491	42276	16155	44433	28031	20695	18154	8749	26426	27950	30572	14718	30727	58015	53179	52869	23071	35076	32510	12854	14575	19103	36164	27637	29581	29726	41029	24719	75325	35236	32284	20888	34683	52602	34800	15937	0	0	0	42392	43904	0	33218	33218	24247	27545	16228	0	23157	14895	11001	36061	21396	28443	21631	22487	16932	19348	8858	22352	21052	37241	0	31431	23387	26014	24865	23106	22036	23121	0	24747	24154	19077	19933	19657	22223	28265	10110	12015	28203	14796	18445	52298	38948	35265	60346	30115	36384	0	37027	34223	13571	15961	14346	27012	18970	41588	0	32332	10314	0	25952	21974	Phytochemical	0.36	1.28	0.08
18	C25 H32 O9 N2	505.21805	505.21875	0.037577145	505.21808	44945	45449	38754	47439	19301	26937	31242	50099	23182	56521	21648	24516	39479	14262	44131	52000	25162	33218	53006	76178	48854	60394	37950	51726	41267	15220	26239	28300	48632	35163	44030	39083	62705	44408	63524	46837	69771	32475	24988	56186	23771	21993	679	0	0	41465	14583	0	47766	34426	38739	44155	26846	0	32714	24327	18855	47216	44702	18689	45957	33634	25606	20321	16093	28485	32282	23662	11778	42375	18252	43721	33587	35417	24255	37819	0	31454	43591	35635	28071	26650	35008	35294	24783	18437	37518	30015	29837	37469	50858	81637	103028	23026	54502	0	51832	41459	18042	50154	69548	45113	21557	53440	22049	50875	18510	0	35668	35170	Phytochemical	0.36	1.28	0.08
26	C30 H32 O7	505.22208	505.22275	0.044892713	505.2221	11294	16336	13982	11722	14332	5383	3957	13768	20354	13724	35011	5136	16688	7572	0	8381	0	14636	14524	20345	28464	11425	9390	10543	9306	81666	5405	30147	7696	6056	7730	5723	7220	5181	22018	8109	9682	7719	5498	20801	28343	8374	0	0	0	12552	15983	0	5302	8531	10955	16204	10155	0	13232	17998	8074	9672	6637	5981	12274	20885	11742	7261	6074	16647	13646	6174	87920	48007	70784	6275	4817	0	0	8707	0	6712	18811	12622	9641	13542	6114	20370	20718	7525	20603	11310	5813	10075	7123	9525	10264	11942	8907	0	13472	11622	14023	23816	23461	9281	5663	10142	0	7598	17487	0	12006	7869	Phytochemical	0.23333333	1.0666667	0.0
28	C30 H32 O7	505.22208	505.22266	0.09301052	505.22214	3014	2679	2485	1453	2954	0	0	0	3340	3382	5309	0	4742	2012	0	0	0	0	3723	2735	3000	2175	2617	0	0	18493	0	5545	0	0	1655	1373	0	0	3301	0	1879	0	0	3345	5142	0	0	0	0	0	0	0	2477	0	0	1639	1752	0	2387	2629	2738	1490	1562	1219	2624	3014	2910	2362	1310	5413	3191	2849	17243	10170	21484	0	1195	0	0	1150	0	0	2893	2642	2290	1801	1340	4656	6879	0	5687	1954	2082	3349	1608	2121	3064	1647	0	0	2216	3548	2502	9936	7331	0	1485	0	0	2092	3139	0	1680	1137	Phytochemical	0.23333333	1.0666667	0.0
22	C30 H32 O7	505.22208	505.22278	0.09550121	505.22214	22302	21163	20937	22509	21445	8196	10445	16908	20306	25638	45532	11726	15351	12341	13360	25620	16994	18354	23218	40983	36923	13932	13216	23277	13165	101836	11045	32866	16363	14263	14881	13705	15346	12019	37595	13047	13172	17449	14606	30506	48651	11015	0	0	0	23581	21034	0	15936	12491	21394	25590	18256	0	14913	16683	12794	23178	12248	16147	18765	20508	11073	14579	10249	19029	18155	21975	80248	83696	121087	6720	9292	8230	11572	13406	0	11892	33759	21216	23969	14784	14388	27545	28095	15910	32006	15211	10877	29815	21974	17250	25872	16996	16283	0	26270	24603	14975	26848	19489	19594	9637	19290	10168	16274	19132	0	16588	15357	Phytochemical	0.23333333	1.0666667	0.0
24	C30 H32 O7	505.22208	505.22275	0.08846096	505.22214	28736	25954	23828	21891	27970	13056	8492	18124	25162	37819	57011	13699	31576	16979	21007	17404	14376	22635	30662	52698	42710	19058	18741	23905	16475	149915	6994	60526	13997	11724	14061	13437	20232	13373	46904	13817	20526	14476	12516	54276	47783	19191	0	0	0	23746	27254	0	13353	14240	27529	20499	23670	0	25787	25312	16714	20554	16944	15025	21741	32114	22599	20133	15708	23197	25411	17094	118979	103324	148505	16684	11520	9795	11127	15626	0	11167	33357	20072	21275	18574	15470	38036	36199	21181	34960	13249	15971	25378	19115	21701	30203	31209	22060	0	23036	24375	23031	35446	32394	17664	8921	25954	16223	21230	17489	0	22301	14997	Phytochemical	0.23333333	1.0666667	0.0
24	C27 H36 O7 S1	505.22546	505.22638	0.6377389	505.22577	15725	15400	14676	17192	12228	12378	12560	8708	13227	43877	30179	6776	16261	7180	6708	16004	11216	18200	18357	46875	53209	35621	11200	10373	23872	47220	4708	26013	8288	8428	7865	17922	12243	7443	46570	8653	12892	6203	10431	40626	37916	5530	0	0	0	24315	23519	0	19098	7815	16089	17444	9337	0	13295	9708	5714	28456	23092	17213	12498	28879	13601	11097	7357	16094	21050	17290	39357	61239	52050	6405	6290	5209	6970	7199	0	5779	11470	31186	7177	16147	16384	29711	14875	9128	13723	6966	11949	13179	40141	46659	21751	46905	65881	0	19405	33190	10229	9225	6202	12262	4445	21854	19136	15419	10211	0	8424	13598	Organosulfur	0.25925925	1.3333334	0.0
6	C24 H32 O8 N4	505.22928	505.2303	0.22502102	505.2294	3603	3045	4009	2798	975	0	2595	5033	694	1907	1397	1645	966	0	2769	4972	1662	1043	873	3164	1996	5276	3862	3430	3270	0	1774	0	4309	2091	3795	4257	5627	3102	3552	3569	4664	2093	4252	3030	2894	0	0	0	0	2013	0	0	3970	3349	2803	3139	1892	0	1817	0	776	3171	879	1367	3184	1655	0	0	1241	1390	1743	6398	0	0	0	3016	2536	2321	0	2356	0	1919	2017	0	2862	1113	2139	1833	0	1324	4301	1039	1445	6516	21119	9021	8199	3045	2526	0	3032	3047	0	473	0	3111	2572	2729	0	3502	405	0	2960	1051	Peptide	0.33333334	1.3333334	0.16666667
8	C24 H32 O8 N4	505.22928	505.23032	0.21411528	505.2294	3922	3844	4249	3360	0	2402	2860	5329	1383	0	1532	2835	1423	0	5482	5581	2721	1411	2469	0	1468	3858	3877	8099	4022	623	2112	2469	3275	3465	2402	4991	7482	3504	1704	3762	5376	3753	3605	4541	3047	1636	0	0	0	3135	3164	0	6143	4601	4168	2309	1477	0	0	582	1753	3751	2351	2161	4835	1948	0	1022	2088	1459	1506	5958	0	0	0	4813	4768	3468	2838	1721	0	3121	4122	0	1669	1459	2687	2627	0	0	2319	1145	2105	5793	24243	11936	9768	2434	2852	0	2841	3657	0	0	0	4473	1344	4506	0	4340	0	0	4751	1141	Peptide	0.33333334	1.3333334	0.16666667
12	C27 H36 O9	505.2432	505.24408	0.20170529	505.24332	9866	11614	8268	10186	1354	2710	15069	8611	4427	5547	4355	5779	2002	3064	8375	11067	12727	1522	5207	5903	4299	4880	5425	13833	5864	4259	10715	0	7799	8660	10531	8393	6202	4576	5899	10224	6918	7391	16735	5218	8381	4510	0	0	0	4303	7880	0	12340	12785	9052	7837	2532	0	6522	1387	4133	8329	6521	15253	0	2452	3799	3590	2688	2581	3089	12383	0	3381	8325	8563	5762	14308	20205	11714	0	7149	9813	0	6105	3520	11787	4115	7041	3885	9006	1870	3928	16157	6593	7355	6381	0	0	0	6796	9217	5580	5702	6515	10914	6532	8364	0	8863	3997	0	10357	0	Lipid	0.33333334	1.3333334	0.0
26	C27 H36 O9	505.2432	505.24393	0.09149757	505.24326	92165	83333	90423	84032	93062	69490	34905	97188	103597	153874	79316	39879	144969	54461	78055	88645	42926	123908	139165	187319	168311	83872	75442	98244	76050	156803	31131	81209	88551	72798	72048	72564	89889	66460	198051	89953	107790	66302	48553	106570	74010	50468	0	0	0	86105	56720	0	81897	76728	90755	92696	80167	0	135454	102956	54877	86157	58634	32800	90429	66150	126752	100493	31843	95674	62515	45113	144086	264476	210402	69083	63343	75865	45184	60258	0	56136	89667	44752	79036	50029	54212	68071	106619	59524	82682	48886	59561	54642	89134	104329	116534	49874	79319	0	88853	94237	68295	92667	107589	97409	48359	87123	48905	70961	75895	0	52620	117824	Lipid	0.33333334	1.3333334	0.0
28	C27 H36 O9	505.2432	505.24387	0.03195461	505.24323	23263	19493	19587	19384	24979	13702	11382	21780	23789	44029	20084	9426	36843	14277	10705	18926	14306	23422	31831	41014	43804	17298	18184	18771	13298	46260	8977	25650	18044	12886	16036	13053	22030	13433	52895	16680	20415	9988	14390	20457	18685	11788	0	0	0	19022	11017	0	18958	17503	21594	19340	18321	0	31388	21611	10761	19008	9976	7564	20198	12644	28265	21364	9465	28601	13891	14465	42032	68835	68319	13768	10805	12610	10452	13653	0	11104	22961	10932	17404	7846	13136	13293	28390	12664	21956	10671	14465	16638	18412	23651	20874	10526	17749	0	19196	19058	15845	25787	28416	22389	7233	20804	6573	17306	15064	0	11072	28345	Lipid	0.33333334	1.3333334	0.0
20	C27 H36 O9	505.2432	505.24393	0.12228547	505.2433	490392	477710	458133	454485	423590	293634	300633	468249	482539	703861	461946	305859	444039	253417	410409	511880	378942	406455	556222	777449	757509	429083	384609	515947	348396	730409	295642	436902	443605	403315	383184	416017	522949	347219	775656	401669	492420	352988	385445	504127	379749	282889	8540	1405	363	386617	315921	1330	447943	397940	490172	479015	333286	1178	526129	379773	251800	490020	383684	271613	467251	308511	486301	437580	225887	404987	283707	393182	541889	943521	887123	383561	379033	424068	370376	405987	296	331605	544694	250935	414600	237853	366512	418816	452147	301855	511981	264741	310581	402911	466724	492740	594938	261854	348632	2572	479820	478728	332424	441993	419693	496661	315673	505798	250086	415351	391057	1812	375643	526300	Lipid	0.33333334	1.3333334	0.0
16	C27 H36 O9	505.2432	505.24393	0.04283697	505.24323	113667	105263	102289	112646	69337	45811	93500	115378	73705	91893	82828	79555	69497	43560	97918	135889	137752	59353	98428	121835	100437	87341	101945	124935	78443	98843	89284	61970	93888	104243	99606	101534	113437	64195	97962	118879	96747	99152	152234	64170	79280	56557	1170	0	0	68022	76624	0	125064	107693	102629	107255	59773	357	91280	68564	62084	124709	77386	95416	122919	44551	80361	77468	52365	63648	56752	131604	92868	122988	140360	71986	80418	106938	127257	104134	0	75385	143521	57155	99317	65122	91036	63214	104179	59772	139261	46578	55959	162298	98647	97963	123832	57837	64117	586	92188	100041	58834	97832	95673	111216	69855	91045	54595	101969	78597	0	101060	71606	Lipid	0.33333334	1.3333334	0.0
4	C21 H36 O10 N4	505.25043	505.25107	0.48653033	505.25067	0	1328	0	0	0	3706	380	0	275	0	0	0	0	0	0	409	0	400	0	0	0	0	0	445	0	0	0	3284	0	0	0	0	623	0	0	0	531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	594	314	0	0	0	0	591	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	455	0	0	0	698	0	8821	0	0	0	0	0	0	366	0	0	443	59280	25833	645	1311	0	0	0	812	0	0	0	0	0	0	0	0	0	0	317	357	Peptide	0.47619048	1.7142857	0.1904762
6	C21 H36 O10 N4	505.25043	505.25116	0.24846095	505.25055	3570	4065	4238	3102	0	9802	462	0	0	1207	0	0	0	0	0	943	0	0	0	0	0	625	0	0	0	0	0	25356	715	0	0	0	996	0	0	0	0	0	0	0	0	616	0	0	0	0	0	0	0	0	3090	3429	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	649	0	0	0	0	0	0	0	28515	0	0	0	0	0	0	647	0	0	0	364193	163835	1262	9143	0	0	2685	3915	377	0	0	0	553	0	0	0	0	0	0	0	Peptide	0.47619048	1.7142857	0.1904762
8	C21 H36 O10 N4	505.25043	505.25146	0.29529443	505.25058	3103	4137	3378	4924	0	3542	0	0	0	1667	1104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23037	759	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	987	0	2392	3546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23113	0	0	0	0	0	0	0	0	0	0	436438	212146	0	9318	3225	0	4643	2805	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47619048	1.7142857	0.1904762
20	C26 H36 O8 N2	505.25446	505.25516	0.13324316	505.25452	9583	8661	9568	9526	4897	5881	9139	16050	2437	6453	5681	9090	2050	2066	9891	15141	8078	4913	5335	10221	6806	15382	6438	18128	8784	1953	8714	2543	14685	13945	9525	14043	22224	12400	6587	13556	23235	9367	12576	11403	8612	6009	0	0	0	9570	5431	0	12286	11895	9748	10607	5799	0	5422	2773	2909	16828	11093	8952	13677	8581	2914	3070	2228	3421	7142	15284	1969	4414	6605	10412	11740	9031	8155	13107	0	10684	7638	2377	6559	4029	11344	0	3067	3000	8041	6483	8272	19462	28487	27246	25473	5170	10655	0	8345	9594	2657	2468	2080	16794	7836	10156	7104	13990	3020	0	11569	3002	Lipid	0.30769232	1.3846154	0.07692308
16	C26 H36 O8 N2	505.25446	505.2552	0.19394714	505.25455	8864	7799	9314	9052	2585	4472	6993	11629	2113	9187	4965	6457	2155	2329	6390	10913	12769	0	5758	15988	7740	8980	5910	11779	10093	1554	6090	0	14235	6183	10128	14130	16770	8670	12726	10320	10225	6333	10464	12516	3613	5050	0	0	0	7067	5201	0	13558	10702	5880	7684	3784	0	0	1730	1626	14016	4697	3072	9378	3675	1657	1315	2333	2075	3819	10258	0	7882	3981	6938	9827	7167	6867	8855	0	6977	6030	0	3455	7648	9085	4363	1783	2203	6246	3549	4667	0	21978	14486	0	3514	7777	0	7663	9116	1755	1062	2921	12004	5500	9129	4043	0	2395	0	9101	4381	Lipid	0.30769232	1.3846154	0.07692308
24	C31 H36 O6	505.25845	505.2591	0.05620658	505.25848	26716	24331	25097	29138	18118	9205	21390	34343	17061	24532	39486	20199	14902	14983	23374	35565	38701	10105	27158	38399	33178	26755	25956	34481	33801	83145	23286	35438	25153	28416	25454	26505	29222	14912	20107	28822	27940	22432	31839	28973	40405	19567	0	0	0	19868	26261	0	29187	34603	27571	27008	19089	0	18940	18802	15775	29483	23741	23084	29409	22457	11711	16648	13099	19394	19806	42452	74233	44769	74105	15563	17904	23067	20130	23891	0	21141	39991	20793	28302	14968	24128	25291	23216	16097	46684	13996	20465	39450	25361	23973	47146	23439	19361	0	24689	34776	18326	25215	23800	34651	17765	32657	15034	33075	17010	0	34908	11327	Phytochemical	0.19354838	1.1612903	0.0
26	C31 H36 O6	505.25845	505.25916	0.056516964	505.25848	20197	22004	25417	17353	15929	8890	16067	32888	16371	13969	35460	15570	17241	10958	20194	34087	15077	7514	22952	25206	24696	17455	22135	27880	27218	96558	15640	37541	20647	24784	21951	18095	29556	18515	21996	21821	29297	21333	18892	29289	32899	15140	0	0	0	15905	18201	0	21118	32408	23955	24375	15215	0	17414	20787	16255	23579	19593	17381	25205	17219	13449	15155	10350	15971	22281	25918	80627	44051	57585	13933	16758	20855	16441	20891	0	16988	33661	21058	20945	11807	17204	31934	29435	20919	39051	11202	15237	19496	12851	16135	37403	18655	16015	0	21307	18207	12150	23664	27761	29366	14033	32620	10949	22319	18764	0	24813	9996	Phytochemical	0.19354838	1.1612903	0.0
22	C31 H36 O6	505.25845	505.25912	0.07164086	505.2585	13877	16998	11380	16116	12106	4075	11447	16483	9737	10160	17330	14913	4422	5353	17321	19347	25992	4832	9051	16150	13551	16015	10148	20777	20090	36567	13383	14574	15988	15218	17176	16730	17819	10021	8717	16087	14534	17061	29254	15464	22213	8275	0	0	0	9563	9415	0	13664	13071	17506	12204	12069	0	10107	9317	12202	17179	13730	15212	13642	9356	5758	6006	11074	10626	9361	23343	24620	28360	36684	7316	9419	14121	15335	16649	0	15710	29996	9529	14793	7016	14158	14702	10215	9774	30172	10685	7907	29054	10607	11504	22017	13012	9590	0	15305	13872	7204	14886	10594	21187	12624	19455	7677	13572	11189	0	26568	4893	Phytochemical	0.19354838	1.1612903	0.0
2	C28 H40 O6 S1	505.26184	505.26236	-0.17880252	505.26175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	328	0	0	0	0	0	0	0	0	0	0	0	0	11400	0	0	0	0	0	0	0	0	0	381	0	0	0	0	0	0	0	0	0	0	0	0	0	0	445	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32534	0	0	0	0	0	0	0	0	0	0	2559	2199	0	837	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.21428572	1.4285715	0.0
8	C25 H36 O7 N4	505.2657	505.26608	0.3159414	505.26584	0	0	0	0	0	0	0	0	0	0	0	0	0	0	673	1650	0	0	0	0	0	0	0	0	0	0	889	7219	0	0	0	0	1204	0	0	921	989	641	0	0	0	0	0	0	0	0	0	0	1114	0	0	0	0	0	0	0	0	1243	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	851	0	756	0	0	0	60145	655	0	0	0	0	0	0	0	0	1421	45034	10815	0	2698	0	0	0	0	0	0	0	0	0	0	0	1390	0	0	0	0	Peptide	0.28	1.44	0.16
12	C25 H36 O7 N4	505.2657	505.26633	0.17263077	505.26578	0	4376	2924	0	0	1351	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1257	20176	0	0	0	0	0	0	0	1071	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1238	0	0	0	0	0	0	124576	0	0	0	0	864	0	0	0	0	0	339356	98896	0	13654	0	0	2946	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.28	1.44	0.16
16	C25 H36 O7 N4	505.2657	505.2658	0.25348702	505.2658	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4314	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2241	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1330	0	0	0	0	0	0	7614	0	0	0	0	0	0	0	0	0	0	233396	32498	0	1341	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.28	1.44	0.16
16	C28 H40 O8	505.2796	505.28033	0.094438635	505.27963	10962	16646	10642	12119	5814	4299	20745	15278	12976	3545	5828	9934	6167	4756	13402	21467	24275	1759	8426	6217	2385	4162	8330	10068	10020	6783	20777	4221	9550	12454	6108	11989	9228	5575	5399	14062	9245	10957	28280	2291	7205	7015	0	0	0	3196	5320	0	16610	9736	7485	9808	9268	0	17910	15002	9795	18743	8654	8768	9342	2268	14569	9803	8293	6205	6402	22805	4469	7009	9360	3183	5850	14508	22460	11627	0	7372	23415	4810	15136	5315	10212	4074	26727	8440	27380	4802	5859	24481	10412	6577	0	2973	3471	0	6552	9411	7767	21411	23839	11406	8687	10948	0	0	18282	0	17335	6685	Lipid	0.2857143	1.4285715	0.0
22	C28 H40 O8	505.2796	505.28027	0.06748989	505.27963	271131	287345	265883	264638	316170	173797	229493	249921	291680	271044	227668	167747	261462	174539	251402	319969	271904	271686	394808	337074	294644	219284	238076	259506	229526	357572	205360	242838	282650	266825	220515	286257	344581	207857	300458	281640	320774	222570	303293	207144	202748	178467	5233	0	490	191760	185168	0	253290	246708	288392	263926	251227	662	428744	290723	193429	308864	211823	157215	285208	150194	316897	304119	157665	290845	200495	292484	266232	412974	397758	188681	196140	254964	257335	254989	286	195076	350902	167080	232865	143885	222309	174201	403190	248375	325190	164060	206094	267222	279616	319906	297599	156559	210608	0	253221	268740	208160	382913	353394	370844	178344	277164	136346	239477	311813	0	236920	318922	Lipid	0.2857143	1.4285715	0.0
24	C28 H40 O8	505.2796	505.28024	0.08866208	505.27963	346518	347245	335139	347406	395548	224270	234666	316246	392934	434937	326396	169361	387031	210093	296404	343889	237333	364323	592030	567511	484175	276061	289128	333386	283413	496592	211725	323945	312521	292848	272405	334291	435140	265793	559072	339912	455870	251721	260198	364684	246911	188082	7747	0	0	269091	184205	0	344271	256041	348900	332660	298378	0	592150	372173	194545	368506	296597	162580	362366	227980	457509	382898	172474	365619	264189	254600	370334	671279	544688	263533	252618	283848	233096	297155	0	231304	369035	159867	295645	181132	286660	241596	480209	299846	360433	197108	272325	241039	373337	439511	398781	196412	280721	0	334126	342930	256543	396603	416014	432619	185524	367529	179144	298199	352919	0	236205	404439	Lipid	0.2857143	1.4285715	0.0
28	C28 H40 O8	505.2796	505.28024	0.102871835	505.27963	30705	29451	30406	30129	40357	17410	28813	33081	37754	38772	27871	15304	44276	23681	21694	30291	22895	33166	51418	41235	38847	22715	20380	30254	32623	51229	26543	31710	32556	31794	25349	33319	37075	26596	47636	38212	41062	19837	22332	31058	27731	18242	2823	1517	0	24497	17406	1955	33847	25681	29792	29629	29606	0	52688	43263	18342	36950	25794	14643	28131	19935	40932	32255	16879	37619	27854	27201	47545	66986	69044	21327	21597	25422	15413	25107	0	19853	36085	17771	22887	16705	26766	27986	46831	24902	40259	17913	23364	26810	34071	38008	37224	20959	22913	2389	35007	29224	26417	50945	48498	39323	16632	37748	20032	29093	29587	2146	23234	32406	Lipid	0.2857143	1.4285715	0.0
20	C28 H40 O8	505.2796	505.28024	0.03905599	505.2796	139078	130795	134330	126864	129424	74664	122791	125668	140090	104782	86639	89059	126678	87581	126825	166601	181015	113243	171306	125518	113561	88781	110656	130428	107061	124127	120519	82853	125194	122972	113517	136809	157128	93221	96266	138018	139150	108242	178992	84117	105207	92798	2376	796	329	82966	86405	0	143346	122568	129462	140769	99822	367	186605	156129	97480	149654	95893	84412	135548	51850	139059	130443	84657	129495	104248	181189	107554	145397	162628	84666	104669	127106	165661	112905	0	87780	176856	81523	125025	59849	118175	83425	207066	113738	181874	82781	96845	168995	126861	142629	170171	73591	86767	757	134282	134957	114649	205093	205107	173822	96860	135566	62852	126875	154936	816	130605	144263	Lipid	0.2857143	1.4285715	0.0
18	C28 H40 O8	505.2796	505.28027	-0.007332033	505.2796	60544	45526	43315	40897	42806	20696	53398	50095	42604	21307	29733	32672	37431	25134	40003	66087	85898	27583	55094	40118	38584	28454	43369	43292	41645	28006	62891	27978	40663	52237	44166	56989	55367	33467	28134	63857	46616	37306	77416	20250	27003	25478	599	0	0	16618	32649	0	49654	46696	41663	47472	38939	0	48988	52771	29416	58704	27229	37812	42523	16079	48055	43662	28003	40706	38511	84368	30601	36581	47249	27765	29494	49104	75449	52587	0	26571	87486	27051	54099	23815	40106	19006	79122	39714	84459	19549	32504	76502	44277	32167	52186	22469	20505	0	46598	44569	38215	84019	89612	55661	35406	39844	16416	38739	46140	0	53893	39836	Lipid	0.2857143	1.4285715	0.0
26	C28 H40 O8	505.2796	505.2803	0.10741633	505.27966	168793	174993	169699	173144	209467	113223	114689	188705	228992	219796	162977	85519	227187	135681	172399	184850	125454	208621	317277	324929	268990	173149	145834	181038	186792	255826	105780	193097	212929	179015	161188	175257	226183	141530	322437	206788	251910	140193	121964	202846	115770	122554	4451	0	0	157592	90411	0	174666	139604	192330	163301	156387	0	326644	224324	107006	188286	172194	72783	171170	129541	235356	197453	79588	184117	153378	121930	237361	391449	270934	145014	144529	180038	118463	150184	0	117649	191630	105323	144003	102486	154292	137705	247722	160990	190849	105153	140916	123749	214962	245478	230964	109734	153409	0	173563	206352	139614	232582	232037	225249	102248	222528	114702	147238	196731	0	135493	222605	Lipid	0.2857143	1.4285715	0.0
26	C32 H40 O5	505.29486	505.29547	-0.009860708	505.29486	10212	8676	9724	8196	8081	0	11197	17335	6098	2252	10957	9434	0	5442	7359	11254	24059	0	9764	6626	0	7095	9046	15088	14916	20833	11969	12396	15574	20064	12904	11164	17339	9612	4596	16588	13311	12333	21926	9183	10498	7787	0	0	0	8137	0	0	13737	16048	12385	8282	6696	0	7087	9092	9541	16286	8356	11352	14297	6067	4136	7469	4513	4064	7917	25002	23193	14329	17260	0	12894	18337	12787	15043	0	7586	20311	6956	12345	5703	9988	10728	11058	10402	20994	6416	6216	22213	6929	8165	15239	8004	6259	0	7536	6064	5365	15734	19328	21776	9076	16631	0	16765	8641	0	14238	3363	Phytochemical	0.15625	1.25	0.0
24	C32 H40 O5	505.29486	505.2955	0.08252743	505.2949	9299	9448	9107	7973	3321	1120	9748	6661	6021	4247	6286	7452	2223	3497	12217	12108	24545	1431	4183	2828	1750	3748	3656	7674	8206	15350	14382	2990	6951	12640	8990	8698	8497	3503	3995	10965	10372	9142	25912	6519	9610	5303	0	0	0	2174	3288	0	8392	10620	8462	4779	4655	0	4911	6575	4026	13499	5806	9864	10984	3637	0	2703	3154	2898	4872	35196	6478	6461	12037	2656	8587	8389	14505	11801	0	7014	13360	6609	8007	3715	10246	6974	7004	4274	11471	4608	3202	21712	5222	5652	9313	2934	3357	0	5035	5206	4608	10248	10758	11393	6324	14026	2412	10232	5250	0	9116	0	Phytochemical	0.15625	1.25	0.0
12	C26 H40 O6 N4	505.30206	505.3025	-0.11374529	505.302	0	0	0	1563	0	1031	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14627	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	132586	0	0	0	0	0	0	0	0	0	0	106852	33146	0	6886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23076923	1.5384616	0.15384616
10	C24 H44 O9 N2	505.31195	505.31253	0.32620502	505.31213	0	0	0	0	0	0	1931	0	0	0	6789	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1710	13359	4503	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	576	0	0	0	0	0	0	0	127683	0	0	0	7836	0	1460	0	0	0	0	0	0	0	0	8845	0	994	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2732	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.375	1.8333334	0.083333336
28	C29 H44 O7	505.31598	505.31665	0.029142443	505.316	29056	25524	28469	24641	39214	13369	53406	31882	34117	15525	24623	13475	27378	19659	23840	26402	27554	23027	51389	28697	18947	22121	20438	22912	50210	28283	38462	35548	43179	36341	25344	34605	50784	26604	26730	46099	40276	27799	28579	17970	14224	21423	0	0	0	21663	9946	0	29553	24901	29964	27656	27196	0	57235	44074	22430	37756	35747	15795	36223	17347	27744	31445	18888	34500	35444	32612	24748	23476	20316	19172	19789	36918	14170	30544	0	20337	36788	30172	22181	17123	34194	24325	58752	32041	55434	15381	23086	31964	37028	44820	32092	25355	11942	0	30704	28259	26860	60082	69866	55150	16603	38687	27899	29188	42382	0	31067	18883	Lipid	0.2413793	1.5172414	0.0
20	C29 H44 O7	505.31598	505.31668	0.08114617	505.316	18141	15156	12770	14338	10773	6772	25453	16579	14051	0	2791	15589	6384	8034	14089	24739	39026	3329	17204	5258	2450	3858	6790	6905	8734	0	25638	5359	27667	35406	22790	32600	16628	13765	3418	24140	12548	13811	37664	0	5549	10133	0	0	0	2358	4585	0	37982	17564	8763	17678	11602	0	14262	15178	10477	21600	7260	14187	17032	0	7182	7266	14440	8211	11017	38437	1150	4400	4087	12476	12978	18201	46589	27746	0	14205	19276	6588	13834	4793	15883	0	27391	12255	27292	6951	10706	35275	7250	7027	11764	5139	3210	0	14222	12771	9658	33826	41703	23547	12918	33097	3137	10248	23929	0	16471	3607	Lipid	0.2413793	1.5172414	0.0
24	C29 H44 O7	505.31598	505.3166	0.010580772	505.31598	111602	104431	101166	105990	123122	64807	208776	96411	101704	55638	71241	120581	89308	83915	83701	128914	166483	91974	149096	85602	64331	61700	67364	81474	89476	83530	249549	74810	112206	135061	100007	124374	139689	79819	71938	139672	141699	74501	166345	60528	74847	66268	0	0	0	58500	68160	0	130585	101983	108031	95985	99675	0	157939	114821	76035	124363	73857	91618	110485	40007	99697	107907	76075	105153	98137	173644	54190	68880	84074	64846	80431	122994	118856	110391	0	94423	114755	72297	79322	60560	118069	67981	168801	117293	147073	71890	91884	154683	117317	93804	103740	52942	68175	0	110594	108645	87175	162370	182970	173339	101510	149419	65520	101174	136644	0	101097	91948	Lipid	0.2413793	1.5172414	0.0
26	C29 H44 O7	505.31598	505.31668	0.04123686	505.316	119582	107189	120813	106247	140811	63914	156296	125272	128830	66037	85200	71592	111544	101288	118740	136630	142214	117577	199772	118355	89950	76650	84440	101612	137009	107189	155155	107534	157380	148231	106273	134838	171970	103000	90743	173592	160180	95707	135373	88691	82986	87579	0	0	0	84717	58677	0	143023	108953	119963	111558	116815	0	202392	177913	88097	144598	106480	71835	134703	65479	108721	128137	70677	106448	126090	141398	88367	103979	85164	73566	95690	162763	107599	118854	0	100206	128144	82055	80080	69287	121880	92299	194937	138229	156158	72041	98495	114230	128798	152858	143854	73604	76904	0	109383	140044	89029	191434	214001	209599	79735	179980	80641	106006	176692	0	107532	89178	Lipid	0.2413793	1.5172414	0.0
22	C29 H44 O7	505.31598	505.31662	-0.011964525	505.31598	53291	51113	46912	43752	56702	24273	82634	49392	47043	13239	20627	43683	33407	38135	41883	71303	107331	28554	58650	21784	20076	21609	34771	33772	40808	16008	75482	24824	57800	65206	44080	65129	52088	45061	18681	62230	50609	41663	106434	9554	23641	26303	0	0	0	18996	24638	0	75350	50641	50392	44120	45373	0	65047	61596	35573	69641	25466	37639	51639	11230	36838	46050	43983	33910	46939	115156	16651	13826	23046	44844	47013	54946	82095	50426	0	37223	67820	20521	46458	18112	50408	24412	83537	54881	70771	32892	35808	94922	46571	46537	55300	19637	24764	0	46311	48262	41072	88910	95680	78606	41931	57676	13915	46716	64054	0	45413	35390	Lipid	0.2413793	1.5172414	0.0
28	C33 H44 O4	505.33124	505.33142	0.032815274	505.33124	1384	1507	0	0	979	0	24189	0	0	0	0	1474	0	1546	0	0	0	0	0	0	0	0	0	0	0	0	24683	0	0	0	0	0	1285	0	0	0	0	1481	2571	0	0	0	0	0	0	0	0	0	1234	0	1235	846	899	0	0	2954	958	0	0	0	0	0	0	0	0	0	0	3696	0	0	0	0	0	0	0	1866	0	1312	1438	0	1262	0	1455	1194	1912	0	5988	0	0	3411	0	0	0	0	0	0	1385	0	0	4206	5453	0	1316	0	0	1385	0	0	1963	0	Lipid	0.12121212	1.3333334	0.0
26	C33 H44 O4	505.33124	505.33167	0.07184309	505.33127	2156	0	2261	0	0	0	48305	0	2115	0	0	0	0	0	0	0	6587	0	0	0	0	0	0	0	0	0	51578	0	0	0	0	0	2206	0	0	0	0	0	8407	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8910	0	0	0	0	0	0	0	2782	0	0	4077	0	0	0	0	0	0	0	5867	0	0	10862	1330	0	0	0	0	0	3183	0	0	5015	8719	0	0	0	0	1599	0	0	3004	0	Lipid	0.12121212	1.3333334	0.0
14	C27 H44 O5 N4	505.33844	505.3393	0.071574725	505.33847	21245	16558	24474	25199	18565	3709	2218	21081	4250	133110	123515	3273	12647	17879	2057	26337	5467	6406	5466	11215	6204	10810	1861	8192	3146	1659	2813	0	7634	7156	6754	12948	10107	8396	32348	9179	9369	1798	6857	39976	31314	11921	8951	4352	3957	42669	35853	4909	16588	10786	22152	20726	14894	17345	1683	7249	13659	12302	399321	13625	0	64824	12577	4580	7094	14746	10994	7208	0	14500	7874	21733	11128	8587	8420	6336	3964	2612	3188	0	2610	2135	2957	1922	5287	3932	1477	10469	5866	7553	19652	8875	9351	26470	19239	4297	21442	23888	6038	0	2310	9432	3390	59002	1393308	8499	3535	4816	3443	9082	Peptide	0.18518518	1.6296296	0.14814815
22	C30 H48 O6	505.35236	505.35294	0.03454985	505.3524	3599	2426	2362	2038	2608	2508	7027	3226	0	0	0	1617	0	0	1149	10287	23950	0	0	0	0	0	5708	2022	7763	0	10451	0	1962	3441	4225	3793	2550	1745	0	4008	2068	3038	26941	0	0	1979	0	0	0	0	0	0	1583	2119	3234	3352	4076	0	0	1675	2711	10021	0	2341	2454	0	0	0	2313	0	3007	30572	0	0	0	0	1531	5606	13192	5077	0	3106	4966	5667	3667	0	1195	0	1552	5742	10061	1312	1499	32621	0	0	8633	0	0	0	2705	2973	1236	3122	7105	7384	2556	0	0	5261	3179	0	7065	1904	Lipid	0.2	1.6	0.0
28	C30 H48 O6	505.35236	505.353	0.006400497	505.35236	9229	6136	10689	9738	6014	4528	59513	12245	6725	0	13946	5920	4230	8670	6713	13680	19515	2300	6383	2341	0	3024	7973	4475	23985	7171	41943	14692	17689	16952	9715	10414	13760	7590	856	19827	12689	11749	20181	2825	2313	6970	0	0	0	2510	3252	0	9228	10522	9185	7051	6591	0	11140	9835	7092	18826	19143	5601	14616	6845	4923	7123	10255	6795	12023	22217	4451	0	2185	5128	5403	19630	6190	9349	0	7010	15427	8353	7732	6064	12162	6563	20044	11150	27503	4529	7695	18453	50188	26377	11402	6839	0	0	8269	7811	8078	19570	25013	18515	6097	12483	15961	12717	13746	0	13486	3181	Lipid	0.2	1.6	0.0
26	C30 H48 O6	505.35236	505.353	-0.039994188	505.35236	23367	23439	23925	20033	16539	12725	111919	25826	14955	3024	9565	17873	7331	27683	23233	33885	71881	11643	25801	5588	0	11721	17423	12598	32446	8989	104576	21531	35449	40557	24544	28427	35495	19788	3551	55523	26189	27977	69463	3657	10373	12706	0	0	0	7697	6356	0	30838	32782	27746	22899	15411	0	23552	20929	18993	38797	14790	23528	36451	6268	11391	12477	28579	16548	28320	78816	7285	3553	3622	11379	17842	47999	44631	34681	0	22935	36607	26775	21176	17808	28871	19768	36256	34827	64194	13791	19764	66890	36478	33267	34434	11310	6775	0	27162	25839	17818	31091	41087	52684	17372	31454	17275	25642	28279	0	41007	7165	Lipid	0.2	1.6	0.0
24	C30 H48 O6	505.35236	505.35294	0.014044566	505.3524	11104	14321	10945	10811	9038	7463	43301	16734	4704	0	3927	13139	3182	15139	12292	28764	57204	4540	11310	0	0	10710	20055	7497	25932	1704	41066	6355	17606	23250	13584	22133	16257	11655	1683	26367	14537	14639	60569	1064	2534	7572	0	0	0	2095	2604	0	20483	18590	16278	12979	9990	0	8919	8610	7147	27879	3999	10547	20174	0	6308	5472	11723	5378	9520	69009	0	1427	1262	6357	10022	21009	35647	19041	0	11323	32379	13213	19034	3625	12629	8633	19269	19258	38668	10637	13966	83203	13742	9543	34192	5903	5263	0	16918	14324	8841	14583	20359	26180	10324	5908	3441	21378	14664	0	25504	2029	Lipid	0.2	1.6	0.0
28	C22 H19 O13 N1	506.09293	506.09357	0.07398022	506.09296	5727	6267	4652	5260	9549	5815	1302	0	11390	10481	1509	1382	26974	1972	0	0	0	18436	10709	7943	10398	15589	4505	2143	0	0	1293	0	0	0	0	0	2024	0	15287	0	1816	1782	0	4320	5290	2493	0	0	0	10774	23658	0	0	0	5048	5321	7230	0	16800	7511	1953	1360	1801	0	0	6046	20050	10983	2150	9758	1982	1109	3999	3000	3595	981	0	0	0	0	0	927	5405	8410	5209	10975	0	2151	12998	6050	3987	2154	2656	1235	1383	1553	0	15759	17596	0	5600	4699	6003	6295	8633	0	0	0	13439	2226	8837	0	945	21642	Phytochemical	0.59090906	0.8636364	0.045454547
14	C22 H19 O13 N1	506.09293	506.0938	0.16126499	506.093	6657	11680	8335	9445	19647	7286	0	0	27653	20098	14095	2064	43843	7323	1112	0	2998	21819	26611	16881	35943	43100	4787	0	0	0	1035	0	1503	0	0	0	3423	0	37729	1491	3508	2093	0	10240	27295	6584	0	0	0	22546	72221	0	0	0	6429	8411	14146	0	30288	25151	5906	0	0	0	0	19039	46516	26607	9238	22518	4105	1525	0	1858	7232	1280	1069	0	0	1378	0	1197	6143	23734	3990	29037	0	1922	24504	10622	4381	5608	6148	0	0	0	5938	60938	32250	0	9584	9650	18996	32907	27150	4102	1217	2265	56620	1637	22363	0	0	33884	Phytochemical	0.59090906	0.8636364	0.045454547
22	C22 H19 O13 N1	506.09293	506.09354	0.084680915	506.09296	6340	6342	5095	4798	12657	6530	1207	0	17752	7069	4986	2655	30558	4482	2933	0	1471	20880	17648	6070	13979	26057	6836	0	1951	0	0	1673	0	0	0	0	1393	0	12922	0	3047	1607	1637	5059	6098	5408	0	0	0	24257	43486	0	1650	0	3951	10400	10974	0	21237	20372	5050	0	1357	2145	0	5961	31536	14844	4067	16340	5050	0	0	2285	0	0	0	0	0	0	310	1121	4931	17488	3442	20177	0	2070	27872	10391	4706	4718	4543	3052	3649	4712	2833	28648	22914	0	5372	10308	14764	14408	18770	1930	1245	0	27744	2487	13344	0	2339	27324	Phytochemical	0.59090906	0.8636364	0.045454547
24	C22 H19 O13 N1	506.09293	506.0937	0.10461029	506.09296	7258	5182	6680	3608	8812	6405	0	0	13091	11027	1495	1566	18595	3151	2327	0	0	12165	8855	6270	9231	11871	3067	1186	0	0	1357	1003	0	0	0	0	0	0	8290	0	1768	1327	0	3884	6347	1792	0	0	0	14161	26348	0	0	0	5362	5249	7307	0	11982	10134	2795	0	1632	0	1190	5783	22542	13023	3410	8975	3508	0	2960	0	1270	0	0	0	0	0	0	0	5420	9567	4737	10477	0	1292	15572	3657	2402	1787	1906	1688	0	0	0	17483	19327	0	5430	5881	6476	5587	9621	2230	1032	1271	17069	1062	8126	0	0	23834	Phytochemical	0.59090906	0.8636364	0.045454547
16	C22 H19 O13 N1	506.09293	506.09366	0.078300215	506.09296	16452	10838	13488	13954	27906	13874	2106	2771	31900	24937	12079	3233	58584	7296	3189	0	2141	30844	29733	15187	42599	66605	7097	2615	1470	0	1733	2630	0	1497	2038	0	3553	0	37847	2394	3952	3112	1750	12521	26341	6702	612	0	0	30268	67908	364	0	0	14463	14515	13726	0	33255	30075	10208	5297	4122	5015	0	21117	62001	28392	8915	26748	13432	1391	3214	5807	12710	0	0	0	0	0	0	2741	7700	50829	7603	38979	1360	2884	35509	11848	10657	7131	5782	0	0	3136	0	63206	45373	0	13417	14853	19147	28815	32532	4332	2791	3632	43375	0	27488	0	1450	44020	Phytochemical	0.59090906	0.8636364	0.045454547
18	C22 H19 O13 N1	506.09293	506.09366	0.055377096	506.09296	13396	12561	17654	18898	25570	8961	1055	2823	33203	12429	10881	2974	61631	7499	3249	5705	2213	35331	33192	15714	27995	48115	11577	3714	1838	2468	2760	3019	0	0	2020	0	3299	0	17519	0	6287	4420	1911	17422	24962	7225	469	0	0	43096	68948	369	0	2258	18007	13002	15155	0	37791	32179	15070	2287	1747	3601	4696	20143	57281	37009	10498	33718	8723	3749	8080	0	5360	1305	0	0	2706	0	0	1938	11408	37193	6884	38698	0	2067	47585	21994	6846	6034	5867	3569	3619	4173	5846	57049	45410	0	13620	12460	24564	33307	31071	5603	3455	3218	46333	4014	24940	0	1099	41530	Phytochemical	0.59090906	0.8636364	0.045454547
26	C22 H19 O13 N1	506.09293	506.0937	0.10749308	506.09296	5400	6144	4465	3297	8230	5237	0	0	9831	9961	0	0	23112	3238	0	0	0	15529	12850	0	11278	15022	0	0	0	0	0	0	0	0	0	0	2157	0	9504	0	0	0	0	2530	4988	0	0	0	0	7595	29036	0	0	0	7192	3077	5773	0	14156	9453	0	0	0	0	0	6458	18490	12230	2627	8898	3991	0	0	0	3538	0	0	0	0	0	0	0	5601	7612	4418	12221	0	0	10923	0	2116	3350	3187	0	1779	0	0	14873	17886	0	5704	6906	4844	7211	7749	0	0	0	16707	2071	7283	0	0	24211	Phytochemical	0.59090906	0.8636364	0.045454547
12	C22 H19 O13 N1	506.09293	506.09387	0.10611178	506.09296	4815	3699	3579	4172	7678	4560	0	0	14998	3991	7699	0	16253	2049	0	0	1784	8620	12542	6186	14078	30509	1980	0	0	1461	0	0	0	0	0	0	2212	0	17603	0	0	0	2226	7589	22037	1996	271	0	0	10200	42550	0	0	0	3275	3115	4912	0	13404	14635	2317	0	0	0	0	8218	28416	13241	3757	11951	4444	0	0	0	5663	0	0	0	0	0	0	0	2618	0	2173	15593	0	0	16504	6315	3274	3213	2191	0	0	0	3040	32068	14617	0	3705	4123	12803	12998	11333	1601	0	0	0	0	13618	0	0	20015	Phytochemical	0.59090906	0.8636364	0.045454547
28	C23 H23 O10 N1 S1	506.11154	506.1118	-0.067576565	506.1115	1556	1605	1329	2573	1988	1556	0	0	3717	2320	0	0	2315	0	0	0	0	0	0	0	0	4387	0	0	0	0	0	0	0	0	0	0	0	0	3095	0	1116	0	0	0	3863	0	0	0	0	7218	28738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3429	2765	0	0	0	0	0	0	1681	1823	0	0	0	0	0	0	0	0	3290	0	8225	0	0	0	0	0	0	0	0	1104	0	0	4777	4419	0	0	0	1999	1153	0	0	0	0	18430	0	1281	0	0	3059	Organosulfur	0.4347826	1.0	0.04347826
28	C19 H23 O15 N1	506.11404	506.1146	-0.11651925	506.11398	1556	1605	1329	2573	1988	1556	0	0	3717	0	0	0	2315	0	0	0	0	0	0	0	0	1967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1116	0	0	0	3863	0	0	0	0	7218	28738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3429	2765	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3290	0	8225	0	0	0	0	0	0	0	0	0	0	0	4777	0	0	0	0	1999	0	0	0	0	0	18430	0	1281	0	0	3059	Phytochemical	0.7894737	1.2105263	0.05263158
12	C19 H23 O15 N1	506.11404	506.11484	-0.033295806	506.114	0	2940	4449	4483	13121	5173	0	0	19075	0	0	2391	36144	2528	1974	1656	4368	16939	19558	0	5011	7008	4141	0	0	0	0	0	1409	931	1219	0	2482	0	0	1765	0	2478	2706	0	0	10658	0	0	0	2817	16395	0	0	1776	3774	3026	9326	0	21331	30235	6649	0	0	0	0	0	26963	21689	5947	16871	8137	0	0	0	0	1309	0	0	1548	0	0	2370	2776	0	2880	5107	951	1386	25040	5698	2297	6433	6011	0	0	2553	4063	11000	4027	0	4726	5602	18439	21713	28902	0	1792	0	0	1721	17226	0	0	31220	Phytochemical	0.7894737	1.2105263	0.05263158
26	C19 H23 O15 N1	506.11404	506.1149	0.15419348	506.11414	0	0	0	0	0	0	0	0	3386	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8655	24583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5717	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15770	0	0	0	0	0	Phytochemical	0.7894737	1.2105263	0.05263158
10	C23 H23 O12 N1	506.1293	506.13013	0.115893275	506.12936	16380	15461	11025	13521	19516	6471	4762	3511	19831	47554	33611	5617	32710	5338	5868	7322	6479	22396	18145	36348	40146	50319	9696	9317	2215	9028	3749	10752	5805	3758	4695	4675	7752	4899	69531	3678	7956	6500	4923	29279	37403	6214	0	0	0	28463	57773	0	3019	5358	19828	18423	11164	0	28053	18943	6720	8860	5547	10206	0	23012	36593	22968	6047	19229	6994	7189	20129	15828	21858	8879	3888	3199	6142	4881	0	4329	9736	11449	9781	22685	5665	8638	25834	8007	12012	5721	7803	12022	3106	8921	18911	35976	42504	0	23098	12923	16988	18361	19338	8680	4710	7823	15946	7895	14550	0	5964	26498	Phytochemical	0.5217391	1.0	0.04347826
20	C23 H23 O12 N1	506.1293	506.12997	0.024049187	506.1293	40019	26135	29440	29570	37508	30371	10417	7243	43513	95328	30590	6138	84469	17234	12608	9298	5675	59676	41115	63674	84448	85648	14373	11446	12616	19704	5498	16753	7761	4668	7947	7934	8793	7171	87503	3637	13782	9865	7592	47508	43758	14056	2444	0	0	111594	117859	455	8605	7136	29811	30850	32301	424	60931	42047	15568	10473	15559	7415	13315	41094	70242	45800	18962	45354	20127	5481	25657	33594	34154	7593	3381	1845	6311	5544	344	9499	21100	57143	12821	65516	8712	34952	49698	28308	16980	9042	16060	9956	11230	18134	19542	79564	87030	0	29548	35131	31926	32882	36076	10717	4201	12063	91883	8338	37526	0	8293	74687	Phytochemical	0.5217391	1.0	0.04347826
26	C23 H23 O12 N1	506.1293	506.12994	0.054598022	506.12933	7111	4652	5379	5284	6340	4135	0	0	8966	16987	0	0	17899	2187	0	0	0	13335	10168	10656	12929	11482	0	0	0	4738	0	2238	0	0	0	0	0	0	16666	0	2312	0	0	6848	6057	0	0	0	0	15433	21367	0	0	0	7195	4610	6971	0	12483	7628	0	0	0	0	0	6914	16233	10058	3053	6695	0	0	0	9284	8111	0	0	0	0	0	0	0	3654	11270	3123	8349	0	3281	8171	0	2442	0	0	0	2722	4229	0	9227	20436	0	6854	5628	5814	5796	5138	0	0	0	18183	0	0	0	0	17456	Phytochemical	0.5217391	1.0	0.04347826
18	C23 H23 O12 N1	506.1293	506.13	0.050906632	506.12933	53433	42587	46607	47866	50399	33215	12754	19225	60758	158615	55833	11791	125369	26209	24159	22576	13884	85464	83378	120895	134653	128347	35215	29213	23995	34372	11279	39617	18028	14646	18636	11871	19458	16958	154310	15441	18481	21955	10999	85994	63500	23987	1781	0	0	136515	148299	378	17678	15298	53319	49446	34795	0	88305	63249	23733	19506	25186	13264	21585	78951	112732	59071	24497	63360	33215	11075	48112	45028	42611	13604	15678	8381	13567	12253	368	14360	32789	80571	23093	108363	13893	46234	70497	36815	35333	22114	27351	15353	26842	41667	37420	95899	139990	0	53303	62253	48627	49029	55268	25507	13890	20938	106119	23597	49818	0	18709	80444	Phytochemical	0.5217391	1.0	0.04347826
22	C23 H23 O12 N1	506.1293	506.13	0.034427922	506.12933	15958	12503	12403	17660	21796	11197	2277	4788	26935	37220	13179	1985	37463	7623	7604	5238	4043	29338	19984	33017	38085	46430	9717	5122	5457	9322	2376	7530	3236	1246	2490	0	6214	2266	45126	3180	5969	6152	1179	21071	21391	3609	0	0	387	51437	66073	0	2169	1257	14711	16222	12018	0	35496	23957	10457	5313	5699	4154	4442	25046	36839	27212	7251	27190	9622	2250	12804	18039	20409	4092	2406	1371	1374	0	316	5399	9418	26299	9597	42705	4878	9158	30016	15788	11500	3871	7583	4277	7244	11673	8441	35893	62105	0	10257	19608	23113	17981	21139	2106	3244	8731	57653	4214	21349	0	6217	40319	Phytochemical	0.5217391	1.0	0.04347826
14	C23 H23 O12 N1	506.1293	506.13007	0.052888192	506.12933	54177	41684	39297	51267	43446	28956	8882	19823	53556	148351	73274	13083	87582	21215	16360	23206	16044	59970	56147	113086	122247	147369	24956	23541	13790	38514	13102	34665	12773	10616	12449	14290	24117	16301	176034	9668	25229	18608	16021	73500	99739	25962	0	0	0	114124	162399	0	14394	16169	35600	45487	26853	0	74400	42483	17352	19708	27040	15861	30647	63428	92975	55274	18856	64076	24663	17907	60861	45651	59052	14381	12224	10293	8803	14459	0	13208	28305	86502	20286	83384	15273	34583	54087	32104	29357	26687	25652	29695	17821	27225	34874	118364	120301	0	35395	41588	38101	51007	39406	29128	11780	22746	105772	16709	41420	0	10722	76735	Phytochemical	0.5217391	1.0	0.04347826
28	C23 H23 O12 N1	506.1293	506.1299	0.01750644	506.1293	5986	3187	4827	3992	4502	3888	0	0	4346	16754	3436	0	10997	2392	0	0	0	9708	5752	10033	10860	9675	2315	2561	0	4117	0	1486	0	0	0	0	0	1321	17952	0	1397	1209	0	7109	8474	0	0	0	0	14264	23572	0	1464	0	3413	4059	4023	0	7562	4589	2619	1474	1450	0	0	5641	10111	4966	1599	5481	2155	0	7222	11204	7785	1334	1050	0	0	0	0	0	2899	7554	2681	11025	0	5199	7830	3095	3305	0	2028	1072	2697	2283	2482	12282	21259	0	4421	3723	5831	2927	3254	0	1447	0	13552	1055	5104	0	1118	11618	Phytochemical	0.5217391	1.0	0.04347826
24	C23 H23 O12 N1	506.1293	506.1299	0.06869517	506.12933	7138	9176	10133	8823	9106	7782	1237	1219	14244	20136	8451	1428	26290	5542	2015	2720	0	16728	7650	16177	21124	19342	3578	4669	2301	6302	1628	2894	1375	0	1839	1233	1068	0	25687	0	4064	1647	1765	13274	7582	2156	0	0	0	27860	39935	0	1970	0	12203	4677	6005	0	19862	10886	3090	2265	1699	1459	1679	15794	23827	10037	7162	8490	4814	1852	9517	13480	9862	1701	0	0	0	1426	0	3591	4457	12502	3593	21703	0	5491	18741	7153	3009	2336	3391	0	2379	5222	4223	23044	24716	0	7194	7041	8946	11373	8477	3059	854	3466	25032	2077	8380	0	1903	26879	Phytochemical	0.5217391	1.0	0.04347826
10	C22 H23 O11 N3	506.14053	506.14136	0.08167001	506.14056	18578	17532	12185	14086	11290	6890	5395	13315	13341	18344	12456	11880	22406	3520	9222	13115	12363	17710	17779	14481	21727	30149	13486	14884	4854	0	6897	3019	9516	8311	11351	10538	14842	8381	23425	10039	13064	9734	19524	22638	23784	9454	0	0	0	23558	44139	0	11285	10227	13237	16539	8286	0	17488	9797	6838	15555	13017	13784	13423	15665	24901	14177	7057	14970	10120	16687	0	5356	6440	10706	8497	4746	8678	11771	0	8950	13015	11811	11972	17610	8299	6758	14924	10505	11768	8375	8923	20741	6593	15189	25344	20743	16151	0	16155	14499	9767	12221	13614	15569	10610	10442	21545	14293	9578	0	9390	25066	Peptide	0.5	1.0454545	0.13636364
14	C22 H23 O11 N3	506.14053	506.1413	0.11196786	506.1406	13760	14092	11797	11244	8180	8853	6195	9132	10429	10925	6897	8546	16115	0	9703	12026	14724	14300	15667	5732	19245	25428	26848	13266	6569	3355	5802	0	7960	5642	4994	8994	14844	6202	14072	6772	11326	8565	12496	16590	21916	6415	0	0	0	18175	27414	0	12281	9970	11843	13584	6956	0	21607	8162	6786	9487	16343	8693	0	14408	14490	13969	13892	9512	8880	14182	0	4579	0	5885	7119	6957	9827	5246	0	8699	13228	0	8264	18137	5526	7114	9433	5469	13298	11028	0	21726	9054	8230	23053	12432	0	0	11572	12575	7384	12616	8835	17100	7537	9683	0	10233	8520	0	6042	22403	Peptide	0.5	1.0454545	0.13636364
12	C22 H23 O11 N3	506.14053	506.14133	0.068995796	506.14056	96217	105414	83141	103641	61950	46399	50175	54711	94643	228583	112667	53152	140898	24217	48784	67304	68231	101228	107173	160956	206120	212258	23057	52207	26005	41524	22150	18868	36847	43436	78959	34178	59238	25256	299055	43318	51757	64644	78575	149525	218066	37729	0	0	0	181884	303060	0	54348	46205	75965	101609	56161	0	126962	76437	48750	70661	67375	47145	18771	135817	153622	89519	43208	105883	58239	63215	32309	89810	105362	46884	68724	39609	45784	48003	0	45049	84809	86091	63369	163382	39313	64230	96588	51837	85911	40640	56980	116120	21018	74030	97564	206701	144144	0	119020	115726	109383	82319	69144	60316	41123	56249	73487	65122	79054	0	34185	172755	Peptide	0.5	1.0454545	0.13636364
8	C22 H23 O11 N3	506.14053	506.14142	0.07079156	506.14056	23302	22334	18674	22606	13842	8146	8916	12036	20290	21930	21474	15200	40438	3484	14204	17440	17302	20552	20360	17854	32028	43916	12958	16974	5373	2690	8358	0	10569	10756	10938	13452	11990	12506	30934	9824	17780	8582	16260	19884	50118	13682	0	0	0	26390	59484	0	17506	15094	20928	22850	11274	0	24606	17526	7752	14428	10346	15912	10036	20268	37438	23672	10700	22650	11872	16380	0	5512	16160	13820	14230	9720	13940	11962	0	11886	19530	11314	11404	24470	9138	7794	21946	9184	15598	14464	12562	31696	0	16664	34676	30500	22646	0	19110	26134	10754	26492	22158	19514	11924	18420	20390	21444	15412	0	9988	33968	Peptide	0.5	1.0454545	0.13636364
20	C24 H27 O11 N1	506.16568	506.16635	0.015362368	506.16568	131594	144642	131778	123276	119954	113520	52596	90240	158350	442961	188154	45008	247688	85412	78248	77759	37578	208782	194038	336163	345250	253930	92270	97157	77140	226134	39819	124844	84888	56760	70059	72030	92245	60904	961042	64212	107573	47638	44010	234220	141922	66038	4410	0	670	336965	327154	0	80175	66318	149545	142235	106161	0	189554	130810	67328	89267	85810	32618	88747	167986	215252	153390	56384	158949	96775	46576	185002	267510	233536	73140	62426	48663	43902	57482	678	51446	85242	140323	74416	210550	64223	205098	161348	89668	71043	58284	86175	55614	96714	131441	134200	169476	251774	0	143790	139492	131172	107300	120950	83514	42006	93862	226318	59864	127456	1180	53586	213190	Phytochemical	0.45833334	1.125	0.041666668
18	C24 H27 O11 N1	506.16568	506.16635	-0.006630379	506.16568	108365	95692	94811	90844	77704	67649	37865	64617	88281	335595	141294	35805	141132	46768	54263	59281	37842	137808	143593	281058	250698	190382	68701	85370	52060	139638	29353	98323	63346	54251	53637	50049	68904	52290	362233	61902	65545	48080	34272	194006	117321	45965	2654	0	0	212619	167554	0	64432	55231	102438	98738	69512	523	117854	87154	46687	64917	68175	34855	67784	127336	140545	85423	42076	91768	53765	33318	120902	197259	156259	62615	44643	51250	37881	52791	0	40610	69780	95901	56588	127893	49275	110916	95758	59281	53881	49829	56858	41555	82250	119117	105354	124540	201438	518	96063	95152	82450	63109	70623	63351	36183	76771	123603	67256	74689	0	46267	126667	Phytochemical	0.45833334	1.125	0.041666668
10	C24 H27 O11 N1	506.16568	506.16647	0.04130693	506.1657	31661	30954	28992	26784	21956	15467	13821	18796	25735	81851	40823	11926	33131	11353	14381	18388	13310	20914	26679	60016	68987	56561	20209	22385	11742	24886	11931	20165	13503	18779	12452	15754	19776	14271	104230	19672	26633	14135	17960	58589	57451	11290	0	0	0	45755	46975	0	19455	14411	28147	28644	16591	0	29037	16335	10092	18747	15507	16467	21240	35344	30314	23315	10366	24954	14562	18629	31277	33392	43661	16083	19021	15179	12277	19045	0	13134	17015	22566	17666	33510	15051	22255	20841	10684	19483	10615	11155	24093	20158	20951	33169	39085	52201	0	29878	30041	16640	15342	15340	17203	11209	21817	31929	17856	12375	0	13583	30615	Phytochemical	0.45833334	1.125	0.041666668
12	C24 H27 O11 N1	506.16568	506.16644	-0.001582633	506.16568	48483	48446	44650	39731	31433	25120	26348	45720	39935	136138	77355	29544	47636	15560	29331	35329	25798	46106	57737	96850	116414	106149	30986	50362	26947	48834	25372	33745	38197	29348	35995	29790	42063	31851	213010	31116	40133	29861	34901	99712	90145	23638	1149	0	0	91270	97269	0	35923	36217	47891	59363	29430	0	55235	26933	19072	37956	39813	41371	36643	78320	57414	36738	14686	37757	25250	34105	77668	74954	77146	32539	28186	30608	27316	27510	0	25073	35983	49054	28956	51096	29621	53995	32262	21047	35739	15486	23742	56172	32292	46848	46237	73637	73603	0	56759	52520	29141	26205	22484	47032	23281	35726	81124	38827	28167	0	29066	53478	Phytochemical	0.45833334	1.125	0.041666668
22	C24 H27 O11 N1	506.16568	506.16635	0.011290461	506.16568	38616	29732	31595	32036	36870	25073	9375	14631	45560	117977	39758	9931	49099	24628	16810	12947	7378	57447	48428	62174	73474	53284	24001	17884	16925	52682	7385	24839	9729	9799	10712	11304	20431	11077	106851	12741	19053	14497	7883	60600	39333	15086	0	0	0	73778	73389	0	12465	11571	31758	30895	23698	0	47339	33049	18009	16977	15011	6932	17566	48530	55018	34753	14797	40137	16243	7783	52455	69577	71152	15300	12043	9330	6472	5149	374	11549	20081	25925	20954	54934	14143	36851	55610	25150	21364	15203	18515	14055	16176	24364	21483	42551	68551	0	31672	30574	35950	32777	28449	15690	9632	16907	60373	17774	38201	0	12959	71783	Phytochemical	0.45833334	1.125	0.041666668
24	C24 H27 O11 N1	506.16568	506.16635	0.049512446	506.1657	14864	9417	12627	15710	18759	12887	2223	6672	20380	50418	10140	3381	32885	9714	6289	5411	2991	23762	21117	34521	42492	22597	9731	11416	5539	23009	0	10025	3622	2321	3422	3165	9555	6479	54421	2389	7177	4423	5420	24288	18252	3912	0	0	0	36991	44438	0	5038	3450	14171	11631	13547	0	23343	12986	7451	6371	3344	5730	4139	18070	24215	16347	5161	22252	9158	4170	24235	35376	32828	5425	3415	2741	4304	1971	0	4368	10944	12192	9028	23108	3897	13861	22488	9128	4705	5409	5770	3112	4087	8608	9690	19286	35081	0	14738	16420	14719	13031	12087	4966	3771	8975	27135	5356	17648	0	3087	26501	Phytochemical	0.45833334	1.125	0.041666668
26	C24 H27 O11 N1	506.16568	506.16635	-0.026741691	506.16568	7812	5043	7251	6171	7631	7179	0	0	8840	27718	7750	0	18813	3730	0	0	0	11415	8918	19683	23887	16577	0	0	0	11379	0	5051	0	0	0	0	1883	0	23964	0	3568	0	0	12855	12174	0	0	0	0	16273	19689	0	2675	0	8122	6195	6363	0	10484	7749	0	0	0	0	0	8044	15483	8289	0	7885	4042	0	12799	24925	20025	4227	2932	0	0	0	0	0	5372	6811	4609	11011	0	7574	10532	0	0	3705	0	2175	2879	3417	0	8001	15782	0	6827	5878	6170	7226	7752	0	0	0	16063	2621	5497	0	0	15773	Phytochemical	0.45833334	1.125	0.041666668
14	C23 H27 O10 N3	506.1769	506.17752	-0.023036309	506.1769	298376	316625	296376	295564	190777	196825	99076	171066	230927	577713	400368	171724	268067	94116	280920	120691	281046	313812	290520	495370	501830	538001	259674	380666	93034	243758	194247	193521	264872	262625	280816	300316	149476	238118	701368	273150	309198	280176	254393	482532	347418	197395	0	0	0	433454	565793	0	290854	280903	316956	291023	182836	0	318721	156901	140367	345285	392644	143407	258284	317553	300495	219874	112477	236226	191004	277429	213090	344321	309154	264771	258286	232123	195994	255728	0	232979	296490	214780	233717	330746	242390	266663	195799	117461	103780	172289	214393	448434	315140	345256	572233	250349	351514	0	329552	293929	166064	154490	174429	316558	196416	335312	379507	342187	161496	0	255324	265971	Peptide	0.4347826	1.173913	0.13043478
8	C23 H27 O10 N3	506.1769	506.17776	-0.003859155	506.1769	39127	39901	30099	38704	16962	14478	20008	37126	16623	42333	20674	22937	25224	6215	24770	41742	33856	22036	30074	40011	38298	57988	24163	48822	17724	4460	19016	9514	35273	27827	32842	37874	38920	27254	49841	28697	38940	22229	37804	44745	44689	18401	0	0	0	44650	54255	0	37244	34332	31909	35568	19285	0	25556	14850	11861	40442	25957	32024	42072	26121	24337	19879	14761	20655	19621	38832	8720	15437	23186	31268	26937	26161	25677	31831	0	22192	33987	15222	22436	23485	21452	22199	15459	11616	30848	20212	20431	61312	28712	40475	66429	31296	33228	0	37431	30733	13105	18847	17820	35906	22231	45664	24842	35729	14696	0	24156	28673	Peptide	0.4347826	1.173913	0.13043478
6	C23 H27 O10 N3	506.1769	506.17783	0.003365428	506.1769	17344	19974	15237	14335	7215	6769	10008	17321	12806	15250	9532	14124	14292	3258	11212	19909	16938	9590	17222	15763	20738	25851	14454	25307	6701	2461	8299	5585	14113	12302	15371	14751	18231	13691	22754	15558	14466	9502	21000	17187	24484	8214	0	0	0	17017	22592	0	14569	15985	16685	16502	7856	0	13881	8877	5838	21946	10893	16715	20220	12226	15275	14250	6199	11544	8805	28575	4235	5845	8983	13355	13922	13933	10235	12006	0	10883	14910	6659	10677	8481	9792	7666	9488	5261	18980	9447	10903	27557	18456	13992	29390	12617	14724	0	17855	16052	5066	11648	7815	17474	10014	20302	8300	17433	8567	0	12183	14083	Peptide	0.4347826	1.173913	0.13043478
24	C28 H27 O8 N1	506.18094	506.18146	-0.04527249	506.1809	1881	3233	1085	1479	1296	0	0	0	1021	6415	8256	0	2222	1094	0	0	0	0	2380	5274	7476	1790	0	0	0	16707	0	8035	0	0	0	0	0	0	4727	0	1269	0	0	6445	10879	0	0	0	0	7318	9444	0	0	0	1556	0	2379	0	1222	0	0	0	1196	911	1595	3313	0	1273	0	1631	1335	0	20895	13259	22564	848	1011	0	0	0	0	1269	0	2736	1055	4215	0	4578	0	0	0	1251	0	2199	1737	1681	3577	4748	0	0	3341	1848	1241	0	0	0	0	2096	3568	1331	2380	0	1153	1379	Phytochemical	0.2857143	0.96428573	0.035714287
12	C21 H31 O13 N1	506.18683	506.18753	-0.08055629	506.18677	16850	17784	19633	19838	16929	18066	13998	44065	27197	28263	14424	22071	33461	7657	29907	18283	31819	39696	43043	36829	45671	23252	40624	31875	18738	6291	11507	0	36012	26079	27909	16109	31278	16909	40370	25544	23131	24448	17057	26234	19010	16962	0	0	0	52944	57944	0	22057	29918	18938	21930	20817	0	58333	27090	12958	16573	33970	10849	33896	21596	29297	27196	10921	22956	15576	20487	0	14360	10704	24769	23654	33800	16367	16282	0	21542	22732	17223	25306	35134	15873	12013	32204	19493	17095	9906	19069	17929	10450	16597	34187	21531	21749	0	18954	26310	18875	16905	25691	35640	20196	23820	42026	18686	24695	0	17507	29919	Unclassified	0.61904764	1.4761904	0.04761905
26	C25 H31 O10 N1	506.2021	506.20267	-0.034762688	506.20206	9908	11480	14273	12158	17213	10259	1719	9312	13343	29328	11780	5853	23713	5550	0	8761	0	19384	19456	25870	36159	10322	9754	10477	0	27403	3386	9533	5326	0	6091	7396	6333	9772	37697	8833	8853	6594	3768	21025	13887	0	0	0	0	19833	20929	0	6481	6621	13949	10568	9956	0	16335	15504	5639	8450	2665	4871	9257	13002	15473	12263	4021	16491	6653	4459	23460	45080	42437	9862	6501	0	6986	4876	0	6261	14695	5320	5771	10999	4762	10592	16520	7154	8225	6727	7436	5969	5311	8519	19125	5852	15265	0	11655	13553	12574	8690	9980	7514	4386	6661	10228	8935	8837	0	6800	24121	Phytochemical	0.4	1.24	0.04
22	C25 H31 O10 N1	506.2021	506.2027	-0.014269935	506.20206	76684	82666	76461	78213	75540	66579	21576	62118	79993	210053	98876	30894	108474	51850	50158	53965	34330	116993	105911	196936	175213	83617	55070	65677	49209	164931	23643	84822	57872	46263	50610	56291	55806	55820	227670	48699	67421	42545	29272	135130	80933	45440	0	0	0	140387	94746	0	49305	55524	70361	82508	64993	477	89739	68812	39956	56577	50289	26548	68070	89168	97732	66301	34639	73640	50362	26479	127853	235668	169977	61412	43069	38289	32588	43812	0	41667	63653	46866	54742	75600	31680	78097	85872	54372	49803	32757	43735	34183	63303	74540	72210	60343	100722	0	68224	79179	61960	55586	59654	56500	31368	64573	84738	56359	73344	0	39992	110603	Phytochemical	0.4	1.24	0.04
10	C25 H31 O10 N1	506.2021	506.20288	0.034304805	506.2021	28046	28892	25520	21952	10424	12090	16701	23264	16607	72205	26085	15114	17659	8182	14578	19883	14830	17301	18784	46636	57955	86390	17083	26107	14991	21288	13338	22073	18784	15780	19579	18942	25819	16059	79175	20187	24391	13500	19208	52467	34869	10422	0	0	0	37158	25969	0	20955	19456	22126	24968	13406	0	24144	9320	7770	31032	15758	16394	24724	21393	19501	15459	4567	21745	12814	14962	23962	32589	38773	21671	15272	18959	11967	20069	0	11095	18974	14965	16998	15934	15504	25216	11790	7419	14353	10384	10153	50138	27195	29270	70002	19584	47412	0	24753	28673	9208	12532	11963	22063	10795	26230	0	19056	9523	0	25060	23854	Phytochemical	0.4	1.24	0.04
24	C25 H31 O10 N1	506.2021	506.20267	-0.021028478	506.20206	27327	29486	30002	30240	31589	27062	8831	20330	34993	79624	33830	12558	56081	16317	16446	26236	7881	47528	50429	75065	72853	30426	22497	22038	17783	66088	6703	24126	18097	14322	15577	12748	22428	40434	82733	15370	26734	13341	11251	49748	28198	14955	0	0	0	53393	48705	0	18111	17358	33549	30937	24686	0	40697	31921	13456	24551	17267	8135	23952	32334	45351	28357	9919	40760	23238	10457	62926	97403	87888	43702	21197	13055	6445	10564	0	14168	26918	16327	21577	26958	11246	30518	36020	18618	21256	12171	17452	12394	24376	19120	37615	19797	43027	0	27315	30050	27539	25898	30804	16620	9272	26816	27466	21242	18735	0	13420	49641	Phytochemical	0.4	1.24	0.04
6	C24 H31 O9 N3	506.21332	506.21423	0.037919812	506.21332	13929	12036	12975	13930	6948	5785	10842	17567	7940	10387	5896	7861	11113	4384	12293	17770	10647	9412	10085	11142	13712	28296	12757	26377	14860	1905	7967	3718	11891	12138	11792	16688	17716	12015	13934	12943	18498	9976	13014	12235	12647	7246	0	0	0	18137	14732	0	16885	12040	12770	13973	6826	0	13435	12902	5884	19709	11340	9616	17724	10142	7606	6578	3696	8482	8210	15538	2012	6579	3545	12979	12621	10217	6054	9196	0	9305	13209	6671	11433	9006	10598	9250	5994	5505	11902	7474	7507	26318	18808	27323	38245	10550	14707	0	15606	12785	2976	17966	15528	18671	7183	20863	7718	18293	6985	0	12398	8502	Phytochemical	0.375	1.2916666	0.125
8	C24 H31 O9 N3	506.21332	506.21414	0.029532649	506.21332	27152	27289	22491	24199	9817	12211	16602	27886	12900	19168	7003	14234	16553	4700	21457	26469	14249	12735	21004	27582	26390	45104	21347	38973	24746	2774	12715	8501	22817	23054	21934	28796	30761	21003	29122	20611	31677	19400	20458	28714	16343	10735	0	0	0	25525	22632	0	33267	22071	28388	24364	12366	0	15475	14812	12249	27161	18598	12797	28719	13722	11980	13043	7771	13533	12562	26105	3605	10963	6655	23586	19774	17670	15517	19900	0	15771	22036	12536	17248	13249	19513	15264	5648	6890	23857	8556	10980	40663	36593	42022	59464	17669	28632	0	25582	22940	6880	17702	21011	23093	15339	42659	9291	27902	8178	0	21717	12637	Phytochemical	0.375	1.2916666	0.125
10	C24 H31 O9 N3	506.21332	506.21408	9.93513E-4	506.21332	39498	33199	29983	32091	13593	13472	23249	39615	13028	28633	11651	20822	21699	3910	27367	26516	21617	18722	20726	34224	25403	49704	22552	39378	30725	2716	27600	11949	0	25884	25973	30476	41984	30848	36597	32223	39475	0	28450	34356	23569	13243	0	0	0	35307	22900	0	34477	26875	33011	30372	17211	0	26254	21405	13908	37982	35757	19343	34101	17595	13891	14171	8397	18802	17853	30778	0	14293	9241	32117	27861	23365	19099	21448	0	21785	31491	16427	26849	18652	25763	20167	13942	11311	26628	16676	16086	43811	56083	53810	72234	20987	30905	0	31658	31883	7104	20709	21664	32856	21769	46856	14191	40112	11254	0	27305	18641	Phytochemical	0.375	1.2916666	0.125
16	C24 H31 O9 N3	506.21332	506.21408	0.017190408	506.21332	24009	25616	37052	18142	10518	14828	24002	31713	14223	0	6440	14488	14834	9186	32366	25522	18668	20181	21807	16542	12705	27126	22949	30160	33210	0	18998	9415	31678	20920	27136	24637	36780	22895	20099	15119	34860	25418	15276	18923	5739	15044	0	0	0	17004	0	0	27530	24085	24607	22749	14688	0	17111	11964	14822	27862	27834	6998	33008	10437	6282	10969	9124	14738	14166	18486	0	0	0	23531	16254	20303	16393	18687	0	25456	21649	11597	16269	11230	22959	8901	12174	12134	26820	12174	12324	36611	33332	50596	76948	9351	12071	0	22560	14170	9954	11981	11419	28939	19081	24498	11768	34957	11731	0	22468	20109	Phytochemical	0.375	1.2916666	0.125
10	C26 H35 O9 N1	506.23846	506.23926	0.047849633	506.2385	14145	17656	17818	12794	5114	7401	7378	19266	6589	27579	9647	7585	10508	5997	9262	15921	10163	7884	9088	34068	29602	21228	9552	17980	13111	10527	6381	7727	14813	12723	11527	13835	19352	14756	36842	14338	19435	7809	13403	24118	14520	4096	0	0	0	16249	12037	0	16329	13647	14662	10370	4779	0	7031	3523	2622	12135	2272	3643	12015	7902	5905	5211	2166	7314	6126	12742	10914	20658	15680	13486	9929	15051	7834	12132	0	7132	8324	9881	8779	3189	3331	9519	4355	3365	10252	5820	6703	19278	11514	13342	24502	9872	17285	0	16875	14772	6507	3495	3340	13822	8120	16644	0	16364	4737	0	10144	7634	Lipid	0.34615386	1.3461539	0.038461536
12	C26 H35 O9 N1	506.23846	506.23923	0.043511555	506.2385	15393	17697	15853	17277	9754	7006	14120	21640	8296	31877	15664	10930	7848	4338	14294	16780	20183	8571	19205	41559	30984	19828	13176	27878	16520	19024	10552	15599	22302	17605	20224	15960	22701	12213	45658	19160	18790	13602	21261	28989	17509	10289	0	0	0	22609	16502	0	17464	21676	18458	11394	9853	0	8904	6128	6303	19970	0	7206	0	13792	10009	8533	4127	9625	10061	20012	18292	36345	29403	15287	15104	22799	14963	17600	0	11860	16794	0	9161	10331	12934	17525	5575	4977	16777	9165	12008	25677	20120	20144	33283	13580	19321	0	13603	24530	4976	5912	4151	20465	9469	21601	0	21817	4397	0	15978	6487	Lipid	0.34615386	1.3461539	0.038461536
8	C26 H35 O9 N1	506.23846	506.23932	0.015335917	506.23846	6339	8223	3538	7354	3481	2947	4606	8961	3732	17918	5452	4705	3917	1208	4630	8991	4018	4255	4522	13704	18582	12099	6269	12069	6839	7137	4259	4667	10008	8136	8756	11844	14399	8541	23340	10597	13466	4513	7008	10920	6159	4283	0	0	0	9224	8081	0	13392	6973	8046	7907	3426	0	6629	975	2720	10646	1559	2317	9683	3980	2105	4829	1566	3554	3863	7909	5797	11805	8440	8754	9274	8194	7301	8668	0	6235	8046	8315	5028	1583	4538	8732	1956	0	4777	3216	4535	13315	0	0	14583	8589	8867	0	9345	8699	892	1607	2429	10525	6473	11159	0	8092	2259	0	6112	4168	Lipid	0.34615386	1.3461539	0.038461536
28	C26 H35 O9 N1	506.23846	506.23907	-0.064485066	506.23843	6951	7670	7224	5957	10990	5198	2505	6884	6662	17812	5764	2479	13995	5945	3500	5234	3055	5925	11009	17519	18687	6076	6414	8447	2473	29548	1803	9783	4497	4143	3911	3383	4230	6409	17396	4485	5100	2360	3695	9534	7992	2651	0	0	0	7788	5867	0	5867	3518	7238	7519	6634	0	8678	5023	2593	5837	2938	2332	7563	3683	7681	6316	1993	10755	4132	3457	26341	33717	35309	6310	3623	4266	2876	3461	0	2936	5807	0	4181	2986	3119	6077	8041	3767	6505	4015	3058	4883	7025	6714	7294	3895	5345	0	7104	8867	4822	5474	8706	5720	2652	5941	2701	3839	5347	0	2929	11546	Lipid	0.34615386	1.3461539	0.038461536
2	C20 H35 O10 N5	506.24567	506.2467	0.20750792	506.2458	1299	703	622	0	330	0	0	0	0	0	1019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22725	0	0	0	0	0	0	0	0	703	0	0	0	0	0	0	0	0	0	0	0	0	0	1362	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	409	0	0	0	183356	0	0	0	0	0	0	0	365	0	0	19218	9732	0	11986	0	0	577	1380	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.75	0.25
4	C20 H35 O10 N5	506.24567	506.24673	0.28373078	506.24582	0	0	0	493	0	557	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4220	0	0	0	0	0	0	0	0	0	0	0	0	0	403	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	107176	0	0	0	0	0	0	0	0	0	0	14773	6279	0	5038	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.75	0.25
8	C24 H35 O7 N5	506.26093	506.26175	-0.023463227	506.26093	0	2317	1974	993	0	1842	775	1319	843	0	0	0	0	0	1325	1666	952	985	0	0	0	0	890	0	1010	0	1206	12406	2459	2067	2201	3132	1592	2343	0	2899	2719	1476	0	0	0	0	0	0	0	0	0	0	1983	1900	1934	1339	0	0	978	0	0	1170	0	0	0	0	0	768	0	0	0	1178	0	0	0	1542	4285	7185	0	3236	0	976	0	153413	0	0	0	0	0	0	0	0	0	0	53842	13303	1525	4433	0	0	1741	1388	0	0	0	1989	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.4583334	0.20833333
6	C24 H35 O7 N5	506.26093	506.26144	0.00609901	506.26093	930	1373	1565	1229	0	1589	599	2072	0	0	0	1332	0	821	669	1528	0	0	732	1180	0	0	0	1181	824	0	1097	7488	3759	3323	2054	5019	2823	5145	0	4691	2864	623	0	0	0	0	0	0	0	0	0	0	2780	1521	1327	1868	0	0	0	0	458	914	0	0	0	0	0	0	0	0	0	0	0	0	0	2634	8865	12999	0	4090	0	802	1324	64506	0	0	552	0	0	0	1274	541	0	1150	36365	7480	1612	3849	0	0	1077	1710	0	0	0	2487	731	0	0	0	0	0	550	0	Peptide	0.29166666	1.4583334	0.20833333
14	C27 H39 O8 N1	506.27484	506.27554	-0.04464919	506.2748	6543	7646	7343	4113	2256	2022	4854	11692	1149	5008	4695	3375	1855	1633	3747	19769	8031	2326	2463	11589	7286	11000	4781	35640	9064	5221	6549	0	10407	7709	7057	10374	16236	6888	7867	11214	7343	3646	4483	4000	0	3882	0	0	0	11597	0	0	8507	3463	5182	7693	1320	0	0	1307	1953	25427	0	0	31618	4724	3246	0	0	3161	2364	8907	0	8100	6557	6414	5520	6434	5120	7844	0	4309	5658	0	4120	0	2423	6110	3557	0	3553	4994	3649	20768	16031	4973	29461	0	6787	0	5560	9415	0	1137	2496	10581	4003	10084	0	12088	2097	0	6512	3009	Lipid	0.2962963	1.4444444	0.037037037
16	C27 H39 O8 N1	506.27484	506.27557	-0.005955283	506.27484	11448	16519	7087	11930	3847	5171	10590	12489	6972	10985	7191	11188	4536	3770	9542	23265	21803	8119	4691	19362	11618	6786	9642	16744	12502	16113	12130	9292	13593	19479	12431	12305	21327	9913	11451	20496	17039	9813	21364	8528	10033	9108	0	0	0	4937	9308	0	13086	16332	10184	8491	6567	0	3103	5773	3603	16010	3287	6647	18254	7370	5129	7472	3431	5145	5851	19121	11250	17866	12914	8713	14816	21784	20244	14832	0	9479	11762	8197	9643	6268	7894	6207	7447	5110	8749	6429	8457	0	15936	11693	0	6177	4820	0	10437	8445	4644	3364	5276	19512	9317	14539	3897	12583	6761	0	10447	5219	Lipid	0.2962963	1.4444444	0.037037037
10	C20 H43 O13 N1	506.28073	506.28278	0.36650714	506.2809	0	0	0	0	0	0	0	0	0	2353	2722	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4869	0	0	1464	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56828	0	0	0	0	0	Unclassified	0.65	2.15	0.05
10	C25 H39 O6 N5	506.2973	506.29758	-0.07815226	506.29727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10408	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1216	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28118	0	0	0	0	0	0	0	0	0	0	28686	4241	0	921	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.24	1.56	0.2
12	C25 H39 O6 N5	506.2973	506.2977	0.038899656	506.29733	0	0	0	0	0	0	0	0	0	0	0	2217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1363	0	66394	0	0	0	0	0	0	1251	0	0	0	57642	14332	0	4116	0	0	0	0	0	0	0	0	2066	0	0	0	0	0	0	0	Peptide	0.24	1.56	0.2
14	C22 H18 O14	507.07693	507.07773	0.11590538	507.077	9662	14498	13277	7596	34925	9431	0	1880	32847	9801	7769	2388	53290	7347	1674	0	0	24540	24522	0	11297	36715	6923	0	0	1638	0	0	0	0	1380	0	2650	0	19754	0	4036	2369	0	5156	16924	4544	0	0	0	9373	25509	0	0	0	12472	11606	18129	0	23565	37101	12490	0	0	0	0	4461	71979	29821	10098	37251	6853	0	0	0	2614	0	0	0	0	1548	0	2613	10788	20821	12599	19088	1204	0	45252	11188	9560	5509	7643	0	0	0	2554	53178	19946	0	14634	6601	33561	47694	49319	0	2479	0	0	1444	28648	0	1921	51358	Phytochemical	0.6363636	0.8181818	0.0
12	C22 H18 O14	507.07693	507.07782	0.16595753	507.07703	6039	3639	5043	7097	19641	5004	0	0	15640	3885	6051	1067	28458	979	937	0	0	10011	10466	2177	7182	20789	2878	0	0	0	0	0	0	0	0	0	0	0	8220	0	0	0	0	1662	7943	3695	0	0	0	5117	28850	0	0	0	5680	3211	7479	0	13227	19327	6720	0	0	0	0	0	43278	15791	5387	20307	4245	0	0	1543	0	0	0	0	0	0	0	1511	0	0	3784	7925	0	0	23479	6112	2760	3973	3422	0	0	0	0	23509	7397	0	3946	5054	23385	30393	23092	1615	1652	0	0	0	14110	0	1343	31199	Phytochemical	0.6363636	0.8181818	0.0
18	C22 H18 O14	507.07693	507.07776	0.17415652	507.07703	14425	14609	17406	8358	43163	12376	2408	0	36273	6785	7940	2231	90876	11905	5789	1571	1711	30798	37059	3337	12185	44042	7242	1289	0	0	0	0	0	0	1879	0	1636	0	16279	0	5397	3462	1863	4501	7044	3919	489	0	0	11100	33658	478	0	0	11982	10397	22164	0	40785	42719	18072	2324	1525	3230	0	7883	74494	34373	12281	55099	12403	0	1674	1778	3859	1263	0	0	0	0	351	3745	17426	23717	12086	33020	0	1631	50258	16092	10076	10406	8375	3440	0	4035	2869	41531	19206	0	17949	10634	31916	58153	50054	4498	1981	0	23488	2549	29240	0	1526	56333	Phytochemical	0.6363636	0.8181818	0.0
28	C22 H18 O14	507.07693	507.07767	0.09047402	507.07697	8394	7652	9530	6618	18792	9588	2368	0	20520	10092	2778	0	56984	7848	6068	0	0	29138	18604	4512	7486	15566	0	0	0	0	0	0	0	0	0	0	2712	0	12780	0	1458	2308	0	0	4218	0	0	0	0	9152	13416	0	0	0	9016	6956	13394	0	32456	20328	5164	0	0	0	0	3716	37630	19334	5216	24288	4478	0	0	0	6575	0	0	0	0	0	0	0	8318	6666	8858	6750	0	0	24244	12098	3560	0	3742	0	0	2516	0	11276	13100	0	10556	6726	11882	18786	20198	0	0	0	9310	0	19246	0	0	37978	Phytochemical	0.6363636	0.8181818	0.0
20	C22 H18 O14	507.07693	507.07776	0.21546827	507.07703	13323	6310	9862	10204	25013	15557	0	1930	35073	6108	7572	2842	68188	10013	2514	0	0	30588	17180	0	8778	27173	6159	0	1677	0	0	1597	0	1464	0	0	1829	0	11139	0	1941	4153	0	2690	4782	3877	863	0	0	9814	24548	1478	0	0	10204	10278	16284	0	35156	24548	10105	0	2578	887	0	6372	62927	26245	9579	25252	8081	0	1547	0	4210	0	0	0	0	0	0	1645	13534	13198	7592	15139	0	0	40245	13845	4191	5009	4123	2095	0	0	3905	28112	16548	0	12772	8103	23356	41565	38237	0	0	1829	22296	0	24966	0	1575	59481	Phytochemical	0.6363636	0.8181818	0.0
16	C22 H18 O14	507.07693	507.07773	0.17747356	507.07703	21212	41272	32804	21626	86618	26270	3596	0	107754	26326	10478	6948	144944	16286	7790	5156	0	76718	67396	12690	32348	97612	24744	4606	0	0	2636	0	0	0	0	0	8844	0	35892	0	9516	8014	2746	9866	30276	10102	794	0	0	32174	72438	0	3280	0	29520	30276	51984	0	83512	87552	31320	0	6302	5690	0	15816	174188	69330	26740	102186	26244	5168	0	3106	6778	3308	0	0	0	0	0	6414	30682	52374	30668	44334	3044	0	111044	32418	19790	14458	20032	0	0	4542	0	92874	46880	0	17938	25586	86418	122074	113120	6508	6080	0	40338	0	66692	0	2858	134646	Phytochemical	0.6363636	0.8181818	0.0
22	C22 H18 O14	507.07693	507.0777	0.15044136	507.077	7867	6565	8174	5445	19664	9502	1708	0	26297	0	4874	1158	33973	9096	1131	0	0	18809	17026	3321	4339	17150	4790	0	0	0	1168	1635	0	0	0	0	0	0	4515	0	3574	1758	0	1859	0	0	0	0	477	8280	17309	0	0	0	7020	7472	8297	0	22933	19862	7061	0	2121	1740	2368	5092	48773	20911	5005	25116	3527	1992	4354	0	0	0	1110	0	0	0	538	1532	6569	11954	5324	14704	0	1968	30181	11987	4207	2588	1812	1625	0	0	0	18517	12342	0	5952	6320	13876	30676	14977	2014	0	1382	15841	0	17239	0	0	47521	Phytochemical	0.6363636	0.8181818	0.0
14	C21 H18 O13 N2	507.08817	507.0891	0.2622155	507.0883	1848	3549	0	0	6218	0	0	0	3893	0	0	0	4337	0	0	0	0	2609	2713	2562	3931	8590	0	0	0	0	0	0	0	0	0	0	0	0	2114	0	0	0	0	1202	4190	0	0	0	0	2117	21064	0	0	0	2355	0	1333	0	3160	5321	1014	0	0	0	0	1968	10495	4741	972	5047	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4128	0	0	4897	0	0	0	1381	0	0	2281	0	13008	3777	0	1607	2253	2949	4617	4011	0	0	0	0	0	2087	0	0	7084	Phytochemical	0.61904764	0.85714287	0.0952381
20	C23 H22 O13	507.1133	507.11407	0.15370117	507.1134	35577	39250	30364	33774	54754	41433	5414	10080	73653	86480	22809	9354	133685	30626	15016	10834	4926	90991	63978	45198	43880	98500	23578	10131	9977	8289	12123	15561	7542	3863	7212	5640	12094	7352	97463	2463	14388	22567	4719	49451	25438	13714	1166	0	0	98790	120533	0	5854	3962	36579	33468	37282	387	69753	47692	25355	11537	14292	6231	8126	41100	118231	56580	17734	71193	19813	2104	14783	14149	15081	8097	4889	3861	7068	6749	390	11941	29029	61563	19139	91498	5997	18741	60110	27015	26851	16701	20535	7002	14877	29382	11770	70648	82239	0	49617	35118	57657	49842	48426	7646	7677	11848	85462	11537	51405	0	7942	124190	Phytochemical	0.5652174	0.95652175	0.0
12	C23 H22 O13	507.1133	507.11414	0.0971504	507.11337	41010	40124	41779	41360	44363	22446	14315	15002	65149	81511	47074	16041	63458	16792	19728	17682	12506	49583	58328	55667	57477	91661	22427	15508	8822	12286	14690	18944	5746	8791	12903	14407	18533	7656	109622	12180	20464	21307	16711	40113	57912	21170	703	0	0	71579	149276	0	13065	13955	43822	40865	28191	0	56891	47444	22558	15768	11945	10335	20853	31784	96673	51857	18586	54202	21442	19433	21640	18066	37949	12094	13455	11595	11704	9476	0	16011	41586	52660	30828	69502	9712	13912	57814	24686	30877	19995	19655	19830	6852	20126	19266	95065	72456	0	46814	36671	58115	49711	47375	18696	14556	18054	112812	10907	44889	0	11804	83519	Phytochemical	0.5652174	0.95652175	0.0
24	C23 H22 O13	507.1133	507.11404	0.2466766	507.11343	19150	17264	13568	19664	18106	16594	0	3078	31638	46800	10440	4134	64178	10360	9324	2846	0	39696	28046	14298	20812	37666	9780	4892	7560	0	0	4798	0	2324	2602	2742	0	3536	39018	2292	4338	6698	3062	18826	9666	5856	0	0	0	46680	56256	0	2432	0	21664	16798	15970	0	44544	24088	8696	9398	7348	0	4430	13536	65988	29944	6168	36206	9506	0	5252	17284	13596	1748	2164	0	0	2560	0	3370	15702	21248	13814	51558	2918	10250	38570	16296	6050	3666	6102	0	4828	7416	3974	35290	40380	0	14330	13186	23810	31688	26516	6652	2794	3516	40560	5628	16326	0	2276	65086	Phytochemical	0.5652174	0.95652175	0.0
20	C22 H22 O12 N2	507.12454	507.1253	0.13037923	507.1246	5711	4542	6677	4270	4838	3867	0	0	9796	9542	1899	2310	11473	4274	2341	2028	0	11115	7585	2907	6269	15645	3883	2291	1762	0	0	2741	1976	0	2260	0	4049	0	5406	1764	3209	2691	0	8447	6263	1941	0	0	0	20228	22629	0	4426	2315	4857	2424	4100	0	6369	7783	2456	1508	3394	1448	3438	7837	12303	5658	2841	4951	2987	1885	0	2473	4410	2151	1248	0	0	0	0	4110	3060	9463	5041	15385	0	0	8757	2522	6259	2058	3647	4263	0	5728	1926	12747	9307	0	4292	0	4243	4309	4712	4587	2564	0	23256	4375	4242	0	2481	14520	Phytochemical	0.54545456	1.0	0.09090909
12	C22 H22 O12 N2	507.12454	507.12537	0.09745659	507.1246	15636	25061	20701	20133	20043	8186	6749	8078	24801	32910	24617	9601	37659	5147	7188	7760	17859	24900	27463	27475	48243	65242	13064	9158	4925	2579	5971	0	6353	5990	5719	6700	17233	6664	60646	9145	10779	10420	13994	35617	61884	7363	0	0	0	52253	130904	0	9111	5781	21599	21991	12918	0	35363	17858	9621	10571	11002	20714	0	36945	51258	30189	8758	29381	9857	12708	16941	7729	13591	8432	6210	8779	7779	7757	0	8542	12961	22965	11715	51246	3965	10767	29411	10342	12249	9202	10644	21491	2634	13704	17684	49724	36325	0	25770	20895	23204	19927	20905	14312	9449	8861	87915	13820	13951	0	6028	52980	Phytochemical	0.54545456	1.0	0.09090909
10	C22 H22 O12 N2	507.12454	507.1254	0.11563801	507.1246	15998	15028	12276	13515	11886	7160	3033	7478	18794	20451	17636	7666	29426	5410	4526	5257	9630	17056	17714	20205	26343	39913	8408	8999	2023	3326	3143	0	3613	3492	5725	5680	7824	5114	34289	5610	10588	5061	9083	20379	39842	4924	0	0	0	31493	75769	0	6389	5153	14994	16321	6902	0	21327	15886	7108	7775	5508	9697	9093	19988	31959	23409	6702	20259	5528	8524	0	4844	8742	5609	3101	2260	8473	4384	0	6408	8562	14793	7846	32561	2323	4766	19218	6999	8614	8868	8418	13914	4022	6227	10465	37441	29155	0	15953	12427	12972	18446	15832	8300	8516	5968	52034	9994	10677	0	4377	28376	Phytochemical	0.54545456	1.0	0.09090909
18	C22 H22 O12 N2	507.12454	507.12534	0.15023836	507.12463	15463	12389	11002	8388	10816	7102	4234	4003	14202	16699	3457	4593	30149	5130	4656	4184	2345	15104	13411	13089	18603	32108	9026	8241	2732	2383	3432	0	0	1845	5232	2873	5464	0	20655	3121	6967	2881	2966	21171	18499	5394	0	0	0	48534	57051	0	4971	2515	8590	11418	9881	0	21100	12992	3403	5260	7524	5542	5021	27404	34852	13467	4932	13099	5820	4808	5326	3944	5286	3394	0	1709	5812	0	0	4090	9326	15495	6375	39446	4791	7364	14807	9350	8266	6859	5225	6368	3133	6574	14085	26985	25803	0	11617	9322	11352	13149	9717	8108	6609	3326	36327	7800	7609	0	4602	28375	Phytochemical	0.54545456	1.0	0.09090909
16	C22 H22 O12 N2	507.12454	507.12534	0.14160562	507.12463	23640	20221	16067	15373	14828	8756	5505	8643	23338	34951	14934	7592	44176	8405	7158	7959	10535	29932	22559	24531	34000	56819	10865	7512	6974	2710	3038	5513	6133	4038	4973	8766	10029	8662	44718	7210	9634	7896	7556	35628	32986	8763	379	0	0	53049	89523	0	5740	7394	19049	20523	15978	0	28869	18608	9251	8543	7703	6502	0	29827	44719	24902	7224	33818	12947	6449	5441	5946	9650	4272	4824	5703	8533	4721	0	9267	9753	36531	6929	53845	5360	11783	21089	10131	10237	9138	11524	0	6312	12162	0	43389	47133	0	19501	16209	10881	17588	13382	10372	6975	8632	58763	18245	12150	0	4168	44129	Phytochemical	0.54545456	1.0	0.09090909
14	C22 H22 O12 N2	507.12454	507.12534	0.12361251	507.1246	22849	25549	21978	22437	20869	13114	8954	10282	28783	41505	18997	8003	39864	7657	10271	8946	9393	31254	28971	24791	40992	85716	14084	12788	5687	2596	5519	7710	5241	8580	7854	8828	17606	7854	56033	8503	12636	9967	13916	34003	48573	11090	0	0	0	64330	129392	0	9811	6934	23623	21144	14558	0	40465	24263	11378	16207	14274	19623	0	43446	58782	30247	8020	27266	12587	11949	0	14602	12211	7100	4706	7520	9956	7827	0	10340	16990	32394	11006	63441	5996	16133	31810	10346	15051	14023	14164	17033	6428	10618	24094	62833	44431	0	23012	14840	17425	28176	27838	19780	6995	10682	93985	11803	14701	0	7460	50520	Phytochemical	0.54545456	1.0	0.09090909
8	C22 H22 O12 N2	507.12454	507.12546	0.12538631	507.1246	5560	5760	2981	6515	5062	9046	1296	2193	8066	12834	5855	2795	14082	2216	1777	4340	5046	7861	8434	7993	13291	17792	3115	3583	0	759	1821	0	1273	1783	1699	2449	3841	2273	14148	1453	3844	1487	3905	9382	20051	2082	0	0	0	14016	33758	0	1745	2994	5142	5097	4346	0	11182	7514	3444	1798	3334	5097	4626	8915	21551	13445	2982	9550	2181	4053	4047	0	6117	3107	2167	0	3682	2801	0	2081	3387	9499	3667	11453	1268	1673	11153	0	3017	3462	4187	4852	0	0	2891	21307	12272	0	6279	8469	6676	11421	7877	4177	1832	2535	9288	3901	6412	0	778	14705	Phytochemical	0.54545456	1.0	0.09090909
14	C15 H31 O15 S1 Na1	507.1354	507.1367	0.44777653	507.13565	6092	6621	7689	4474	6717	3410	0	0	9294	32427	25640	2676	10464	2660	1796	2933	4531	8896	12869	32710	50016	22543	4141	4061	1874	6576	1368	0	4090	0	1981	0	4109	1791	36959	3266	6571	2334	3693	27886	18980	0	0	0	0	15438	25766	0	0	2071	5210	6338	2474	0	10363	5592	5023	3894	0	0	0	21226	26731	6831	2789	7314	4655	2299	0	11118	16882	2103	1938	0	3270	2174	0	3375	1990	0	3545	26562	1617	6146	6921	4287	2455	3771	1732	0	3022	6821	9934	24717	52280	0	9950	7090	4975	14606	15724	0	5410	2743	0	3251	4061	0	4025	8420	Organosulfur	1.0	2.0666666	0.0
10	C24 H26 O12	507.1497	507.1505	0.07318228	507.14975	22494	21540	21818	20471	15857	10838	12107	20076	21634	67691	37410	17445	15710	9312	12202	22249	21494	16095	22324	39170	89068	59468	16660	23242	7196	21092	17010	16730	14875	20850	12699	15966	19824	13998	65365	13463	17085	17192	19956	59066	38580	10495	0	0	0	31962	56655	0	17810	17287	25938	25733	13959	0	20702	16236	7920	18111	13326	17327	18866	22439	50570	17754	7215	19570	7883	21381	20584	26163	37971	17315	16969	16912	12623	16069	0	13258	26011	23633	20084	64664	12638	15937	21275	9534	21337	8451	11331	16865	13298	13528	16840	55484	57954	0	30324	25886	21310	18717	20064	13881	11258	21448	15888	17963	18064	0	16050	22611	Phytochemical	0.5	1.0833334	0.0
26	C24 H26 O12	507.1497	507.1504	0.20577787	507.1498	8295	6132	5716	6268	9432	7705	2387	0	11459	22499	5147	0	24997	5713	0	0	0	14709	10143	12947	16064	10997	0	0	0	0	0	4784	0	0	2812	0	3520	0	25710	0	4912	4060	0	10842	9393	0	0	0	0	20474	18597	0	3580	0	6545	5713	6479	0	13220	8474	3376	2403	4393	0	0	6944	20070	10669	2559	10757	3652	0	0	15464	7752	2712	2876	0	0	0	0	0	7024	5839	5911	17208	3259	9171	13000	10021	4895	2831	4200	3182	5414	6445	7272	9431	15935	0	7183	6541	5550	6304	5639	0	0	0	14331	2977	6014	0	0	18111	Phytochemical	0.5	1.0833334	0.0
6	C23 H26 O11 N2	507.16095	507.16183	-0.002396373	507.16095	9583	10494	8113	10036	5801	3634	4244	6199	9500	20363	11119	4834	12344	2643	5744	7610	7002	6951	10003	12301	17586	19379	5513	7361	3515	1375	3628	0	5296	3837	5534	6944	8319	5032	25859	4857	7116	3966	9534	8228	20079	3402	0	0	0	12000	20187	0	6938	4716	8949	8898	5094	0	10394	8493	3179	6376	5301	7286	10362	6296	14322	8998	5024	9310	7038	7844	4611	3992	7867	4641	4624	4469	0	4929	0	3753	6082	4723	5181	8802	3592	3989	8287	3275	6917	7200	4835	12902	0	7338	14373	15275	11906	0	9929	7137	5535	10476	9228	5266	3960	7857	10765	6979	5222	0	4399	15650	Phytochemical	0.47826087	1.1304348	0.08695652
16	C23 H26 O11 N2	507.16095	507.16165	-0.021624079	507.16092	58492	58484	52452	54669	38874	42403	28381	47115	49056	117804	38720	27217	72226	17977	49943	52201	28037	70341	66775	89161	85190	110605	44108	61669	51567	15023	29249	32988	49491	30520	52503	42666	59643	37942	136766	45623	64572	39168	35442	102412	58150	29582	800	0	0	105837	76725	0	55786	40148	54414	61408	37837	0	70802	33118	27832	55224	68427	26808	58128	62208	73140	45210	18041	48860	39843	31738	20666	49257	28220	55257	45233	39213	33192	41685	0	36163	52102	49726	35874	76026	39810	54354	38101	29856	41600	27194	32911	59162	50542	74630	88509	68491	84767	0	49482	54952	29331	35338	36306	49905	33024	41938	70263	49397	30368	0	43314	83211	Phytochemical	0.47826087	1.1304348	0.08695652
20	C23 H26 O11 N2	507.16095	507.16165	0.08339484	507.16098	11247	9238	14368	13544	8776	8596	6722	12623	9731	21349	4982	5551	20830	5775	11141	7226	3407	16762	12842	19416	17435	22208	12176	10064	12276	4212	4873	4606	12568	4591	8889	9353	14136	9287	20499	8633	11951	9199	3808	18318	13868	7124	0	0	0	24845	20313	0	9735	5772	7909	10517	8815	0	17752	6321	5584	12749	7978	6201	10747	12417	19774	11857	3067	12125	6600	3011	2982	7048	5488	13384	7052	7155	5224	8474	0	8237	5564	10047	7658	21829	8539	9352	9420	7570	12720	10767	8302	6371	7107	18184	21560	16277	20821	0	17283	13062	7000	6035	7265	8110	5693	8942	17645	8148	10020	0	8090	21705	Phytochemical	0.47826087	1.1304348	0.08695652
8	C23 H26 O11 N2	507.16095	507.16177	0.011813548	507.16095	30652	27207	25078	31602	17177	10396	8027	20695	23970	50895	31757	17368	33275	6688	14750	24498	20616	20033	21129	38267	51516	55724	16472	29588	7670	6672	10995	10677	18243	17627	16791	23016	23068	13665	71890	17200	22686	12234	23099	41052	53189	12318	0	0	0	46362	64869	0	23657	19853	25093	26830	11818	0	31789	20964	9977	22623	16123	21675	22546	29740	36233	24337	10013	23574	14704	26221	14817	11721	24570	15281	17929	16798	14461	17416	0	12225	21611	22407	13836	24394	12597	17509	21685	11849	17601	12678	13658	30913	12202	18267	32960	38518	39450	0	27628	23220	20947	23516	20531	22036	14058	30545	32115	18473	16461	0	12558	28665	Phytochemical	0.47826087	1.1304348	0.08695652
18	C23 H26 O11 N2	507.16095	507.16162	0.021930164	507.16095	39711	27975	37020	35997	23236	15062	21609	27851	23860	65637	20292	18168	46225	10868	23490	29807	15119	35865	33035	50072	39043	59137	28305	33603	29280	7836	16984	14855	26744	16875	22539	23725	30064	17611	70859	20233	37461	22117	14476	53435	26596	16118	537	0	0	58289	40029	0	29113	21657	32989	32778	20732	0	37550	24738	19289	28723	29975	10979	30439	36885	48600	27425	12963	30833	20545	17553	6912	21102	11144	22183	18701	20200	18135	16826	0	15026	35037	23346	21017	45479	25513	30774	19978	19119	25738	12714	23304	25661	25010	55415	52679	39273	44653	0	26989	24831	14870	23075	15557	28826	18141	27598	40151	32121	19582	0	25748	49666	Phytochemical	0.47826087	1.1304348	0.08695652
12	C23 H26 O11 N2	507.16095	507.1617	0.013091631	507.16095	69047	67781	71938	75582	43399	35836	47992	81446	52386	120561	65711	42397	70668	18233	44694	55854	42344	63566	69714	119032	109951	159324	57079	58838	41099	20369	35973	42678	57797	46489	61191	57577	70094	51158	189190	51387	65443	43757	54169	118712	138832	32970	437	0	0	151713	145290	0	56581	43226	67764	66558	32905	0	71694	38430	29683	65536	72786	55358	57071	92149	85980	56520	24356	54090	44144	66071	33280	57098	54278	55941	52003	52996	34586	53047	0	39495	51475	63790	48167	86619	37858	60403	42358	26263	49441	30080	37821	84657	52234	73160	95387	89507	90083	0	78528	77223	36072	36844	38716	55862	36138	64724	116634	59135	38916	0	43990	79406	Phytochemical	0.47826087	1.1304348	0.08695652
20	C28 H26 O9	507.16495	507.1656	-0.045872606	507.16495	22994	23824	22892	19277	21224	9890	3137	6635	31752	71542	61479	4940	18548	16886	5885	6411	3115	15960	26394	53956	58138	22470	9191	6011	5074	111928	7053	48290	5068	5262	6052	4981	9773	8572	81113	5924	5518	3367	4948	33537	37780	10916	0	0	0	21893	30963	0	5739	5660	20654	24863	11239	0	12912	22820	9678	8672	3881	4904	8477	21413	24466	15119	10671	14564	10032	8804	82992	122798	143117	4574	6802	4389	3401	4608	0	5258	17994	20165	13203	14424	8832	35405	29587	16628	20091	12422	9224	13311	8342	13831	12462	24321	30775	0	19658	27090	21021	21730	17000	6760	5904	10505	18908	5728	19012	0	7674	12993	Phytochemical	0.32142857	0.9285714	0.0
22	C28 H26 O9	507.16495	507.1656	-0.014114824	507.16495	22739	28018	20413	24286	29967	14528	3533	4671	31896	72505	83116	5804	21809	19204	8297	7147	4844	23351	26385	58884	56861	24446	9769	8577	7946	127228	7022	68130	4866	2997	4027	0	8521	3031	90661	3514	10158	10122	4647	41352	39091	10306	0	0	0	34294	40010	0	6165	4594	27448	27208	18768	0	19480	28475	15015	8256	5717	7001	7999	27175	32598	18758	15021	25276	14942	6397	116388	137705	155767	5968	4454	1507	3375	5478	0	4160	18077	28323	11521	25653	5485	36934	37246	16674	17682	12297	10733	9991	15072	11525	11788	38591	33179	0	24274	22083	30784	34179	24549	8924	4280	10162	21407	5681	27322	0	10564	29679	Phytochemical	0.32142857	0.9285714	0.0
28	C28 H26 O9	507.16495	507.16547	-0.08189396	507.16492	3141	3861	2598	1627	4477	1051	0	0	4210	7360	6551	0	5515	2250	0	1936	0	3124	5102	5736	5958	4157	0	0	0	18747	0	7347	0	0	0	1140	0	0	7838	0	1137	0	0	3184	7701	0	0	0	0	0	6384	0	1116	0	2585	1817	3593	0	4787	3287	1489	0	0	1407	0	2553	4461	3285	0	5282	1606	0	18294	14599	29873	0	0	0	0	0	0	0	3002	3728	1798	2467	1591	5785	6598	2579	2866	1410	1487	0	1487	1886	0	8546	4580	0	2991	2321	3885	7378	2860	0	0	0	0	0	3132	0	0	3139	Phytochemical	0.32142857	0.9285714	0.0
18	C28 H26 O9	507.16495	507.16568	-0.038003564	507.16495	11097	7389	11963	11107	12174	4838	1870	4999	10378	33477	28356	3225	8415	9759	4518	5286	1632	7338	7817	25916	23699	7633	3532	5960	3078	56672	2621	25186	0	3046	3109	0	6148	0	39300	4393	4958	4056	5209	15488	18105	3261	0	0	0	7881	13613	0	0	3004	10273	8437	5881	0	8060	9441	3888	7353	3769	2227	4297	9825	13582	7455	5107	10905	8145	4246	46840	64205	69062	2807	3813	2689	2433	0	0	3536	9833	7367	10637	8052	6013	17912	14993	6664	7981	5509	7110	5402	6270	7406	5320	10033	20892	0	14380	11772	11080	12896	11181	5452	4687	4413	6917	6474	8890	0	6792	11336	Phytochemical	0.32142857	0.9285714	0.0
24	C28 H26 O9	507.16495	507.16556	-0.019001652	507.16495	20208	18626	19583	11864	19260	7653	3173	2475	28042	51194	43014	3800	22043	12017	5856	5510	4128	18796	23806	39450	37323	21754	8574	4958	3136	91950	2593	32832	2082	1976	3305	2427	3009	1004	68643	2824	3653	2583	3196	27520	36265	5270	0	0	0	21534	28321	0	2839	2061	15903	12789	14626	0	18186	14404	8919	5103	6282	4113	4977	19200	24586	15181	6970	19896	9021	5301	91577	84664	119717	2436	2281	0	2918	1827	0	5295	13219	19139	13995	18087	3217	28207	31297	12744	10958	7593	6013	6872	4638	6988	9163	24822	28181	0	15886	11149	17610	20516	20198	5761	4341	6211	15158	3362	18536	0	3124	18819	Phytochemical	0.32142857	0.9285714	0.0
26	C28 H26 O9	507.16495	507.16556	-0.007257622	507.16495	5577	10014	8105	5433	7385	3997	1623	0	11345	20172	22820	0	11722	7331	0	0	0	7153	9132	15297	18290	9764	0	0	0	47945	0	10979	0	0	0	0	3160	0	26209	0	0	0	0	11805	17542	0	0	0	0	8549	15076	0	0	0	6931	5473	6476	0	9346	9266	0	2164	0	0	0	10894	12015	8857	4310	11479	3027	0	50011	40064	60616	0	0	0	0	0	0	0	7022	12036	4982	6827	0	10285	13195	0	5285	4041	4324	2556	3223	0	0	13655	13796	0	7125	8965	8452	13750	10129	0	0	0	7758	0	7930	0	2640	9093	Phytochemical	0.32142857	0.9285714	0.0
10	C22 H26 O10 N4	507.17218	507.1729	-0.065002225	507.17215	9418	7470	5908	6538	4580	3628	6485	12283	4088	5072	0	3985	6395	0	6557	8632	5394	4003	3512	5002	5820	11726	7849	10006	5333	0	5300	0	6687	5975	7125	9025	9155	7993	6550	5595	9561	6820	9419	7771	7554	3438	0	0	0	7852	6749	0	7401	9029	8454	5437	3404	0	3989	2585	2765	9623	8533	6917	0	3901	4561	5714	2506	6405	4955	11914	0	2649	0	9309	3826	5456	8155	6389	0	4715	6960	0	7825	4989	5985	2654	3096	4583	8442	5315	4882	13898	0	6033	20095	3610	3512	0	7408	8258	0	2762	2808	6071	5229	6975	0	9822	3239	0	7123	6931	Peptide	0.45454547	1.1818181	0.18181819
26	C25 H30 O11	507.1861	507.18677	0.09458224	507.18613	16072	16048	16789	15534	16269	13634	3109	12335	19610	50463	12347	7820	29437	8422	13076	11519	0	27313	19379	37031	36142	16856	16696	17009	8272	14975	2612	11311	13015	8497	12594	10310	12205	11341	51851	11706	16908	8722	4494	21559	15635	0	0	0	0	25840	20004	0	10366	6984	15869	16773	11463	0	25961	17527	7155	12935	12594	5077	14615	15011	31606	15678	6061	22853	10060	6485	18254	39235	27778	11520	13357	0	8113	8996	0	8229	16906	6859	16036	14465	7252	11115	21212	0	11616	7396	7976	7134	16801	12596	13879	13784	22919	0	15786	18100	12357	18912	13765	10788	6117	10944	14815	8779	13822	0	6316	35964	Phytochemical	0.44	1.2	0.0
28	C25 H30 O11	507.1861	507.18677	0.07655355	507.18613	7508	5452	6889	6318	4459	5710	3190	3642	5087	22889	5901	2878	15117	3742	3527	4653	0	9978	8596	20782	16510	4653	5136	5171	4082	9186	2106	7249	2192	2904	3829	3897	4208	4376	18181	5460	6365	2573	4841	7331	7140	3478	0	0	0	8223	8162	0	4904	3909	6754	7106	6909	0	8942	6559	2544	5700	4477	2423	5222	7444	12059	7004	2238	10516	5989	2361	8676	22071	14734	4285	3390	2804	3278	2652	0	4308	7804	4103	4579	6278	3816	6507	8126	3746	6341	2972	2729	2209	3409	8235	5675	5801	5362	0	7323	5237	5920	6598	5826	3478	3096	4214	9394	4089	3740	0	4119	12160	Phytochemical	0.44	1.2	0.0
10	C25 H30 O11	507.1861	507.18686	0.03086042	507.1861	19095	20368	31010	17281	5718	5681	14165	18368	8865	28192	17235	10983	8421	4395	13284	19697	16087	8429	12904	43206	59874	33888	10947	19245	11168	20872	14398	9802	17143	17118	12608	18723	16812	16143	58842	20564	13748	12801	19654	35008	25214	7691	0	0	0	21850	23684	0	19000	20466	19937	15999	8440	0	9246	5582	6091	14526	12140	17353	15535	15059	10770	7555	6623	7883	7264	18316	14343	21482	21638	15875	15940	18049	16910	16375	0	12947	22483	10564	14394	29242	14069	12985	10271	6263	18636	5799	8015	19217	8465	10708	19172	15734	37196	0	19445	44882	8653	7210	8936	15072	12334	19334	19568	9975	7666	0	14392	8045	Phytochemical	0.44	1.2	0.0
24	C25 H30 O11	507.1861	507.18674	0.053214572	507.18613	49932	42309	47656	40288	46253	31228	15700	31992	50342	134384	37056	20442	88787	26593	31376	29329	15711	66201	57900	93155	93173	44576	35611	35813	31030	51281	14111	27741	30405	20771	32454	29329	33279	31866	112803	27279	44519	29345	19011	66767	37908	14383	0	0	0	74189	52736	0	37910	28380	40937	49803	30355	0	71170	48018	24101	39032	28595	13983	29248	39363	70357	54658	18582	53708	19785	18133	42909	95984	75948	32199	30429	24503	15485	23829	0	22455	42811	24653	36649	43995	19173	41293	53923	23967	35510	17622	20104	24022	30070	36488	43821	28257	43466	0	41324	36100	38169	34905	50594	31324	20044	38974	48379	28980	36461	0	22877	94858	Phytochemical	0.44	1.2	0.0
22	C25 H30 O11	507.1861	507.18677	0.04192628	507.1861	153142	142962	119476	133581	128930	111672	54827	127935	171244	343582	114626	64407	177686	65017	94932	89234	47817	192277	167835	273571	238040	159791	115678	103663	89001	149752	46927	92772	109842	82487	109028	113441	120083	98144	342247	90530	122800	87267	52744	179954	91607	54694	2426	0	480	215555	144959	0	101027	94538	143672	135661	103447	748	194043	116327	64861	99104	107481	46855	102628	130699	221360	138136	55007	130062	86340	51440	125976	284394	182130	109459	82047	98901	48530	81881	618	85138	117763	65598	98894	138442	69568	94069	123853	82973	107276	55025	68231	60072	103100	128739	134750	84451	142709	0	123594	130594	117921	111378	106713	95191	71789	104419	133442	94472	110598	0	74002	230588	Phytochemical	0.44	1.2	0.0
16	C25 H30 O11	507.1861	507.1868	0.040185694	507.1861	299893	301236	574306	630778	193408	166000	184253	298065	258642	1411412	351894	175017	259136	107728	232636	271375	184414	256841	293734	1186438	1031192	636204	505788	569678	395706	372338	163601	273084	482076	243910	532672	296230	609750	201846	1618364	248677	521664	416756	191880	797806	647466	143661	6260	537	0	781028	340251	613	285406	528906	592876	575684	182646	906	272578	167407	122018	263455	494060	189308	291663	529936	311504	468446	104604	217772	174683	193902	320341	1070402	452014	528174	518040	255061	176731	254323	471	194646	292928	210184	231125	590150	448312	559788	208376	137818	247752	138051	160155	255824	230025	532166	317180	461536	589830	1981	606000	285561	213606	174640	178173	239639	172103	272499	299699	274154	183921	608	399386	534576	Phytochemical	0.44	1.2	0.0
8	C24 H30 O10 N2	507.19733	507.19824	-0.003479325	507.19733	27369	25823	20795	27799	14243	9871	12380	24986	16359	42834	21554	16008	19404	5423	17777	22924	19358	14819	25501	40149	40230	45873	20197	24630	16702	6086	11786	12694	21701	19790	17618	26189	23223	15477	65799	18052	29405	13099	21985	34651	30202	11636	0	0	0	30484	26955	0	25524	19317	27518	26381	12519	0	18285	12176	6710	25678	19412	18295	27124	25325	23235	17670	4737	17867	13390	24477	9328	17800	16558	22524	16157	17930	10612	20089	0	15760	23039	14760	13818	14855	16489	24397	11305	8728	18477	11955	12542	26801	35431	31767	44686	23668	35934	0	26313	30143	10781	13923	12764	22151	11473	39565	9604	23962	7630	0	15953	18283	Phytochemical	0.41666666	1.25	0.083333336
20	C24 H30 O10 N2	507.19733	507.19803	0.10849466	507.1974	13031	18113	21419	14578	8359	10771	15457	18859	12574	21594	5954	8287	18553	7117	16649	16812	7349	18240	14680	19877	14747	30096	14917	20783	24039	4459	7063	10048	20566	12975	18886	19127	25360	15674	34960	16465	25181	13086	7852	23886	8794	10871	0	0	0	17273	14697	0	21574	17454	16891	17279	12073	0	20806	6700	9319	18490	19009	7410	15173	12131	16730	8571	5670	12922	15450	10980	2999	12167	3576	18359	11938	15549	8891	14198	0	11765	18879	4984	10612	14314	11641	0	7590	9567	11582	11280	13577	12337	24458	27551	43754	8078	17058	0	16389	17179	6447	8943	6156	20320	11954	19304	15336	21201	6792	0	14924	22908	Phytochemical	0.41666666	1.25	0.083333336
18	C24 H30 O10 N2	507.19733	507.198	-6.19522E-4	507.19733	47535	41621	42432	38612	30811	31973	35653	57178	28372	76221	29260	22286	47973	14813	46396	47290	18323	41223	60060	70170	44737	83044	48015	54628	58231	10747	29011	30273	63954	37592	54467	46432	68466	39183	79218	41352	65133	38298	21321	72938	29125	28819	552	0	0	59193	20953	0	49825	38310	49172	48257	28587	0	43918	19826	18101	50326	64423	16688	42811	41609	32027	31991	17073	36404	31503	24874	9679	40222	11551	47070	40536	44445	29862	46974	0	33946	29129	24711	30989	28026	39251	33624	15746	24209	37913	26410	30864	35402	59604	84059	100396	30474	60791	0	46177	41559	16219	21176	21542	45203	28587	52071	24716	43343	22356	0	37807	40834	Phytochemical	0.41666666	1.25	0.083333336
12	C24 H30 O10 N2	507.19733	507.19806	-0.010428702	507.19733	58815	58270	58402	58408	23834	26909	51936	81274	37849	104540	50819	35744	38965	12771	56586	56002	48072	38237	55746	108346	83917	129485	50512	73113	53508	25175	30257	32845	65443	49533	61597	52006	82020	49102	144876	59039	65083	46335	49406	102977	69850	29371	265	0	0	93578	67826	0	63609	64194	61169	58723	28387	0	51892	26272	23355	66949	73735	49623	65024	70824	46384	36500	18190	41893	34802	61358	29825	51384	37368	58560	51250	53835	28549	46083	0	47114	49823	42617	43462	44301	52160	50422	23956	22732	44626	27653	30810	69613	68714	93381	100088	62295	71449	0	56292	66082	23288	30784	35799	63060	33134	68095	44857	57260	23460	0	51162	45735	Phytochemical	0.41666666	1.25	0.083333336
10	C24 H30 O10 N2	507.19733	507.19812	-0.016154306	507.19733	49451	42163	39384	35903	16594	17193	24649	45572	19316	88360	36385	25116	29929	7956	34632	43365	25239	29945	40454	76305	66434	77972	31194	61020	29757	15419	18714	19792	44327	40920	36740	40836	51700	32855	104029	39219	49490	28450	38073	73283	45220	20993	0	0	0	64835	40782	0	45350	35161	42220	42251	22642	0	32336	17930	12762	39638	37331	25269	38652	40137	27570	27307	12537	34533	25626	36173	16108	33299	25887	41194	32147	35306	22732	34857	0	23793	34816	36493	31077	30271	31660	33340	14821	15492	32820	19770	24000	42968	40048	60416	65226	40232	56311	0	43916	46867	16541	25136	22011	42690	21777	59675	20057	38619	14873	0	33616	32885	Phytochemical	0.41666666	1.25	0.083333336
22	C29 H30 O8	507.20135	507.20197	-0.016713468	507.20132	43458	44967	33076	41227	36197	22494	13788	22058	43837	84320	95453	14749	46435	29595	17923	27186	14304	29909	40023	94201	102488	42034	29015	27016	23838	216782	11852	78931	16015	19215	15931	19899	22676	18063	93402	18420	21616	18021	19035	69745	70057	18573	0	0	0	35757	49410	0	12885	19409	45462	42271	32585	0	31288	39465	23424	27371	21673	16568	24261	51202	47526	33136	23895	39942	31657	22171	173411	196990	252245	16113	12272	15000	12977	15212	0	15494	42609	33098	32634	32348	16759	59144	49848	30737	42396	20138	22152	35178	25580	28658	28108	32533	48532	0	38685	40799	46689	47835	45770	21243	15583	26554	26662	24923	36295	0	23104	40510	Phytochemical	0.27586207	1.0344827	0.0
28	C29 H30 O8	507.20135	507.2019	-0.042469926	507.20132	5113	3629	4567	3451	5911	2692	0	0	5612	8784	9235	0	7214	2872	0	0	0	4646	5556	9093	9091	4467	3081	0	0	26925	0	10789	2310	0	1677	1617	1891	0	7289	0	2335	1665	2304	6247	10171	2307	0	0	0	3446	6128	0	1885	2880	3765	4965	2382	0	4480	4831	3326	2689	1537	1822	2383	3601	7025	4266	1435	9525	3518	2752	26250	20162	43273	0	1381	0	0	0	0	0	5385	4775	2724	3455	1749	6430	10116	2853	4596	1679	2410	3390	1920	2190	0	5264	6426	0	4508	4189	7039	8802	7454	0	1828	3991	0	1616	3946	0	2266	4193	Phytochemical	0.27586207	1.0344827	0.0
20	C29 H30 O8	507.20135	507.20203	0.02115091	507.20135	29321	27146	29506	25075	22905	13414	12816	13356	25556	51617	50823	11693	24532	18567	14745	17071	12036	17243	25124	60443	45844	28469	18412	22551	10824	125675	13055	44932	10421	11686	11217	12601	19691	16019	60526	13187	17492	16919	18318	42103	42853	12061	0	0	0	22318	26747	0	15029	16917	27927	28942	18660	0	20743	23098	16882	19482	14413	15557	17530	25749	27611	23335	14625	20967	16575	14643	93962	112938	158001	20569	11679	10112	12312	13696	0	13932	33554	20785	21877	18619	12803	48581	36226	15052	28577	16549	15209	30461	21506	20613	24279	19137	18544	0	22189	25344	28351	28349	33836	14221	11275	21193	17749	22463	22236	0	17549	25617	Phytochemical	0.27586207	1.0344827	0.0
26	C29 H30 O8	507.20135	507.20197	-0.015201133	507.20132	14594	11723	14769	13032	18424	6002	0	0	19370	25096	34381	3162	20848	9967	9798	0	0	10475	20874	37119	31948	13078	12496	7995	0	82447	5557	31736	0	0	3157	0	6942	5100	34206	0	6576	4766	5003	25781	35764	7036	0	0	0	15224	18177	0	6052	0	12708	14753	11028	0	15062	16938	10403	8110	5683	5507	5325	15744	20239	13647	5954	16534	13290	5314	95998	72679	104519	5318	3433	0	0	4580	0	0	15808	17760	11176	13265	5409	26562	24331	9252	17459	6664	5589	8546	4448	5678	7682	17007	9761	0	14286	13677	13992	27297	26014	10554	0	0	10664	7195	14762	0	5955	18928	Phytochemical	0.27586207	1.0344827	0.0
24	C29 H30 O8	507.20135	507.20193	-0.026228705	507.20132	39022	34302	34070	36011	33839	20702	12090	12413	38275	75192	89139	12599	43027	26057	13670	19197	12064	33781	44541	74799	79010	32658	20160	21799	17686	182333	7428	73263	14826	10999	11300	12208	13615	14672	85848	14578	16154	14925	13473	54822	66104	13469	0	0	0	38038	34481	0	11578	18547	33119	33326	28752	0	36648	31924	16409	19405	14646	13708	18824	41431	33878	32550	20459	35668	28276	12829	160956	157828	200873	16302	9321	9334	8215	13664	0	13691	38276	31664	25100	27342	14619	55527	49680	24965	28005	16638	19810	18307	16960	20907	22794	37155	36947	0	34845	36379	36998	48287	44345	19501	8058	24985	23241	16841	33152	0	21600	32738	Phytochemical	0.27586207	1.0344827	0.0
24	C26 H34 O8 S1	507.2047	507.20523	0.371292	507.2049	16776	33270	29200	35554	18770	17366	2347	6204	16956	42586	26510	4306	35560	5934	9702	25374	4108	13747	20612	51868	40812	27115	9074	22908	12476	26783	4474	26816	7662	2443	4611	6281	13643	6980	51136	3863	9011	7298	17476	72640	39858	7971	0	0	0	17775	38056	0	12852	4549	34916	37702	10731	0	16180	10034	7570	20488	35982	8977	8350	26536	20246	7947	5234	14513	11128	15980	22536	47129	33995	5880	5567	2406	5794	5395	0	3702	9276	24626	6150	16009	27190	24879	12857	8397	17428	6593	6555	22274	36875	84696	14256	28791	40940	0	16662	22092	14602	7465	5216	10941	4546	35648	15861	8946	17178	0	18910	14832	Organosulfur	0.30769232	1.3076923	0.0
8	C23 H30 O9 N4	507.20856	507.20935	0.014313599	507.20856	8260	6579	9353	8186	3533	2142	5074	9752	2977	3203	2877	5946	2517	0	10328	7523	6385	2684	5169	4891	2765	12700	5225	12012	6081	0	4481	8763	8423	5087	7140	7370	8922	5789	7339	7973	10188	6158	7849	7862	3800	2481	0	0	0	4892	4354	0	8889	6906	8194	10683	2474	0	4668	1244	2297	10629	4002	2654	8172	2707	3443	2826	2448	2853	3150	6876	0	0	0	6324	6995	6624	4618	6653	0	4927	4733	29029	4196	3269	5050	2409	2424	0	4917	4574	2927	10786	101236	31468	16829	6527	7804	0	8989	7395	0	0	0	7644	3801	8389	0	9378	2436	0	8343	4750	Peptide	0.39130434	1.3043479	0.17391305
6	C23 H30 O9 N4	507.20856	507.2095	0.03646742	507.2086	6752	7627	5171	5504	1234	1936	3505	7594	2067	0	2667	3039	2661	923	5445	6231	4956	3701	3756	3558	3341	9932	4430	6874	4866	0	3040	9076	5822	4358	6393	7534	7644	5104	6436	6505	7450	3355	5609	4094	3030	1502	0	0	0	4469	2974	0	6968	5282	5411	7899	2652	0	3687	814	1250	7582	5057	3087	8224	2006	2178	1569	1214	2597	3160	7464	0	0	0	5409	3886	6259	2305	3006	0	4237	5429	26529	2928	2294	2993	1998	1405	2855	4040	3659	2855	10003	54405	20066	17041	6730	4865	0	5401	4585	0	1185	2379	5397	4087	8622	0	7481	2055	0	4225	2546	Peptide	0.39130434	1.3043479	0.17391305
10	C23 H30 O9 N4	507.20856	507.20932	0.16724803	507.20865	8494	8188	8893	9434	3324	2641	5772	11985	2202	5039	2698	5004	1630	0	8654	9816	3597	3181	5015	5422	0	12787	7178	12304	7356	0	3944	15637	8204	7693	7291	7671	7504	7593	4783	7861	8180	6002	7659	7260	3119	2878	0	0	0	8215	3548	0	7746	9426	5831	8356	2339	0	2295	1392	1475	7950	5600	4463	0	2829	2069	2758	2674	2672	3188	7282	0	0	0	8970	9755	7316	5301	6428	0	4105	8349	41081	6841	2006	6003	4046	1909	2430	4362	4701	2429	10622	119426	40031	23060	6687	7274	0	8652	7626	1561	2180	1656	11126	5862	11894	0	11580	1879	0	5801	2479	Peptide	0.39130434	1.3043479	0.17391305
12	C23 H30 O9 N4	507.20856	507.20923	0.24512242	507.20868	14995	8073	11617	10544	9416	10997	17158	20148	8270	21646	0	15496	6210	991	19836	20631	16297	14196	8634	60000	31480	12864	14558	24000	11250	32924	12130	13131	15632	16018	13884	17719	23835	19828	72696	14606	17815	12154	12921	32273	13382	10864	0	0	0	15576	9326	0	23780	20604	12641	14257	10512	0	13827	5265	6745	19230	0	0	0	7924	6130	12270	8846	10924	13382	5912	0	28714	36068	20360	13199	13216	13468	12239	0	18368	15805	0	14414	6806	10031	13507	5620	6329	10003	2803	10406	36464	83706	46384	32367	10250	25028	0	19122	16905	0	5454	5734	0	8746	15484	0	13480	6454	0	16016	16538	Peptide	0.39130434	1.3043479	0.17391305
8	C28 H30 O7 N2	507.2126	507.2128	-0.7971323	507.21216	0	0	0	0	0	1462	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7754	0	0	0	0	0	0	0	0	0	0	65404	16784	0	1998	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.25	1.0714285	0.071428575
22	C26 H34 O10	507.22247	507.22314	0.032371443	507.2225	362259	358908	322525	349665	266889	262194	169650	372459	388068	887734	326817	172957	398865	192729	327099	286905	146698	442368	421728	749676	640687	352473	315793	348946	330558	401723	144991	298988	367679	274518	336335	344201	363500	288536	975184	313772	463534	247883	161364	451736	214725	183664	7228	0	566	401004	211198	0	332600	307379	370463	342291	254475	1152	510230	264159	163955	327581	339468	121650	325727	313378	450344	344039	138756	307795	229249	165561	304126	842407	439040	335708	280519	306905	146418	276439	427	271861	316815	137072	281104	214785	220440	237626	289476	197677	260266	150860	224728	179715	354919	422261	451049	186089	317900	0	350368	335986	239555	223950	210956	327269	207184	345570	229452	306904	227846	0	214216	517813	Phytochemical	0.3846154	1.3076923	0.0
12	C26 H34 O10	507.22247	507.22327	0.076328486	507.2225	29216	29195	22579	31744	8176	7002	19914	32556	11173	19844	18137	22564	5975	5028	18479	30298	32428	11532	14707	25000	28672	22336	19196	34931	12842	19944	28085	15531	24386	27429	20132	27259	31042	17536	45988	24413	22083	24600	35736	15644	28813	13332	373	0	0	19604	22124	0	25147	34704	26359	25602	11548	0	19392	11810	8598	30771	14043	27873	24683	12557	10750	8025	6859	8823	9255	33496	0	19681	26044	15431	25701	29878	33013	27361	0	20292	29399	0	23021	14629	24954	13387	14465	10248	29049	7134	8200	51266	23851	27872	30113	13704	17850	0	23455	32636	10277	14504	10078	29285	17889	27418	0	18647	10780	0	20619	9863	Phytochemical	0.3846154	1.3076923	0.0
26	C26 H34 O10	507.22247	507.22314	-0.010004027	507.22247	35314	30724	31249	27872	35363	25265	12850	33628	45265	78322	30009	15359	63659	20221	28621	31905	17899	53666	54040	81141	75747	34663	32502	35084	22491	47216	11335	29064	24994	25131	32781	24399	35959	23783	89893	27938	39478	20503	14634	42911	25609	16465	0	0	0	36010	23423	0	29915	24148	34889	30502	27501	0	53124	26656	16703	30447	25401	15169	34817	27731	56043	46099	13785	41855	25784	15536	41693	90984	74325	29983	25716	23129	21509	23632	0	17510	37333	15151	25772	19142	23785	24296	40564	20362	31373	13610	20749	14453	30830	32850	40723	23076	31775	0	36684	33411	25586	32133	33307	33418	16629	36372	21074	27162	18676	0	21932	49151	Phytochemical	0.3846154	1.3076923	0.0
28	C26 H34 O10	507.22247	507.2231	-0.006868827	507.22247	11479	9766	10121	11829	10030	9369	4412	11078	8665	30485	10353	3471	20472	6451	6504	11745	6108	12744	16830	30052	26219	10502	10796	8922	6773	19826	5154	11695	10617	8512	7300	8365	10349	6787	32798	11179	13404	6025	5552	14988	6483	5144	0	0	0	10343	8154	0	11954	7418	11292	8127	7930	0	17188	10756	4119	10702	7250	3955	10780	8234	15441	13434	4437	15629	7582	4588	19139	38788	28692	8049	5264	6567	4859	6983	0	5873	10747	6645	8297	6495	5969	9148	9795	6176	11346	4674	6592	6680	9434	15109	13744	5621	8071	0	9188	9777	6214	8699	9785	8200	3508	11326	6050	8065	6413	0	5257	12131	Phytochemical	0.3846154	1.3076923	0.0
20	C26 H34 O10	507.22247	507.2231	0.027200563	507.22247	527770	516609	532871	462289	373760	338837	291795	520497	507980	1176766	495120	276206	546149	236013	461928	469451	269130	511300	601803	995518	966382	535686	415880	544043	423612	610859	250725	470030	511428	432769	449824	465407	532174	410340	1294149	448095	596984	366023	288991	610303	346547	279328	10789	1557	387	534022	302498	1113	463055	430538	514829	492737	345757	1691	611773	366560	255600	501904	483757	208532	456685	398070	538805	478355	211909	400302	325913	286921	472519	1042805	720985	488364	443951	498152	291505	443700	0	375934	482221	237135	392632	263448	362911	457599	401295	280108	409550	233932	327816	312587	507504	563159	617321	280922	411515	2355	520459	513721	343801	332945	321884	490291	315384	532794	322480	445503	305057	1146	319468	595462	Phytochemical	0.3846154	1.3076923	0.0
16	C25 H34 O9 N2	507.2337	507.2344	0.003682634	507.2337	30004	31982	22746	25226	11981	15337	26777	37664	10960	38084	17176	13443	11334	8036	29236	36094	24353	17026	21538	40242	24111	40492	26816	43772	33369	5544	19524	18503	35351	29156	27342	38276	47019	25223	41342	30379	41513	19692	19723	38367	16836	15027	0	0	0	26527	14065	0	43294	29067	23935	25451	12543	0	20675	8641	10011	39081	35373	15708	38064	18399	13139	8409	8397	14134	15092	28505	3470	16086	10777	28319	25321	34928	16621	26431	0	24095	24662	20958	16443	17529	22910	16927	6100	9067	23390	15549	18688	35672	44084	53474	68404	21301	29141	0	35417	22385	4894	5289	7750	35491	16130	36512	16724	32835	9685	0	24253	14522	Lipid	0.36	1.36	0.08
14	C25 H34 O9 N2	507.2337	507.23434	0.03608474	507.23373	19297	22234	14419	19399	9377	8226	18185	25324	5637	27399	7636	15103	7154	4165	18560	21506	21522	6409	11962	26356	25947	35244	15541	31666	21657	2814	11697	14478	25442	21447	21684	27044	32158	20095	34939	21624	27017	20540	15708	28358	14354	11651	0	0	0	26096	11846	0	24137	21375	18683	20720	9865	0	11241	2703	7702	37366	19188	9540	21589	16273	6621	10780	7622	7323	9963	19272	0	17369	6911	19699	19762	26910	18734	18936	0	18635	14647	0	12397	12842	18452	14551	5657	7107	19691	12329	12664	29342	43436	33265	50448	15044	24425	0	18696	16916	3841	6913	6608	26124	11893	35252	0	30356	5177	0	19768	11349	Lipid	0.36	1.36	0.08
10	C25 H34 O9 N2	507.2337	507.23447	0.051393367	507.23373	15222	11624	15605	13306	5460	8317	8683	14889	6367	18104	6654	10011	5673	2929	13902	11155	8414	6178	11611	19360	18694	22045	6999	20162	15420	2201	7988	7900	19087	16807	11719	12501	22782	12887	25741	14233	22263	10117	14890	23621	9529	7216	0	0	0	13455	10018	0	13751	14178	13034	13298	8867	0	9319	6373	3812	18861	6825	6707	12505	11038	5940	6774	5055	7607	7044	11806	0	11084	7442	18340	11181	14904	9063	11939	0	10587	9903	5886	11067	6781	7119	11346	3341	3498	11366	6365	9601	19697	23952	22528	35041	11453	17815	0	12100	14860	3103	3743	3149	23586	9153	18454	0	16159	4180	0	11955	7777	Lipid	0.36	1.36	0.08
12	C25 H34 O9 N2	507.2337	507.2345	0.092617296	507.23376	12238	11195	14911	18398	8281	9837	18832	29648	5636	19219	8675	11214	9734	4715	14497	18642	16787	10137	10906	28915	19459	36348	14543	18718	16935	4646	9770	9302	23586	16397	19435	19115	22545	15719	37191	18968	22866	16174	17165	29444	14674	10362	0	0	0	16696	12291	0	17372	16822	14475	18187	8691	0	6809	4824	4718	24079	11152	9769	15930	9470	8075	7291	3987	9203	11180	14922	0	9017	7873	14578	17964	12332	10368	14776	0	11110	17412	0	14231	11219	10169	14218	5153	5314	15635	8749	8501	36653	28175	29171	33389	14315	14857	0	16837	17294	4826	3248	4225	21520	14335	21255	0	21296	3379	0	15240	7860	Lipid	0.36	1.36	0.08
20	C30 H34 O7	507.23773	507.23837	-0.024827242	507.23773	27896	25468	27279	19166	18014	10083	15114	18225	17886	26298	29472	19429	20822	17029	22499	27376	33417	14657	24493	32518	38176	22111	20883	25316	22764	67230	19816	21780	18189	20265	17814	23102	26886	16043	24240	21137	28534	22343	31432	21890	43924	12927	505	0	0	15996	20476	0	22199	22784	25994	33164	18011	0	21992	18351	14211	23109	18615	24771	24420	16600	18642	12233	14763	17519	17150	33305	51428	50179	85998	11480	19555	17899	20519	21493	0	16512	46789	21171	31267	11787	24913	27056	23051	15741	55708	14438	20196	50437	26054	24653	36315	14306	19349	0	21227	25860	20775	32607	23748	24300	16295	27851	12009	30234	17064	0	37860	16798	Phytochemical	0.23333333	1.1333333	0.0
6	C24 H34 O8 N4	507.24493	507.2458	0.17758845	507.24503	4717	4804	3622	3333	0	2472	1967	2072	615	0	3177	1385	0	0	1479	2082	0	874	1370	1670	1090	2460	1832	2987	2420	0	1604	37382	1749	2084	1624	2402	2945	1685	764	2592	2646	759	1340	0	0	1615	0	0	0	0	0	0	2755	2894	3686	3091	0	0	977	0	696	2026	0	0	0	0	0	811	0	0	870	2488	0	0	0	1263	1898	2111	0	2213	0	1205	1033	74118	737	547	1834	0	0	0	712	996	1955	3864	172541	60190	6156	12128	5187	0	4256	3042	0	0	0	1996	1224	2611	0	1915	0	0	1307	0	Peptide	0.33333334	1.4166666	0.16666667
8	C24 H34 O8 N4	507.24493	507.24573	0.11440928	507.245	3949	3860	4721	5340	0	3421	1666	3810	0	0	3315	1309	0	0	2148	3052	1603	956	0	0	0	3170	1916	3915	3064	0	1285	17567	2728	2277	1990	2772	3518	2671	0	3391	2358	1529	2521	0	912	0	0	0	0	0	0	0	3250	2897	6020	6489	972	0	0	781	764	3851	0	0	0	0	0	702	0	0	1191	1404	0	0	0	1325	1290	2136	0	1868	0	963	2340	61543	808	0	904	0	1103	0	2612	1062	1446	4898	263834	108380	5406	11054	6454	0	4631	3677	0	0	0	1672	1972	0	0	3637	0	0	2022	1490	Peptide	0.33333334	1.4166666	0.16666667
12	C24 H34 O8 N4	507.24493	507.2458	0.2285599	507.24506	0	2093	0	0	1153	0	0	2026	0	0	0	0	0	0	896	1940	0	0	0	0	0	0	0	0	1440	0	0	0	0	0	1079	0	2011	0	0	2284	2837	0	0	0	0	0	0	0	0	1808	0	0	2064	1129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1409	0	0	0	0	1919	1506	0	0	1344	0	0	0	0	0	812	0	0	0	0	1680	0	0	0	70445	29152	3805	0	0	0	1757	0	0	0	0	0	1819	0	0	0	0	0	0	0	Peptide	0.33333334	1.4166666	0.16666667
10	C24 H34 O8 N4	507.24493	507.24548	0.13603346	507.245	5350	3726	6277	3607	0	2525	0	2949	1060	0	2252	1355	0	0	2561	0	3108	0	1302	0	0	2710	2029	5614	3942	0	2089	21334	2802	2828	3038	2611	0	2184	0	3225	4077	2761	5138	0	0	0	0	0	0	0	0	0	2167	1348	0	3184	0	0	0	0	897	2683	0	0	0	0	0	0	0	0	0	6284	0	0	0	2150	1830	2124	0	1843	0	1570	1428	59356	1110	0	825	0	0	636	2364	0	987	2916	215549	61627	5131	11974	1933	0	4522	0	0	0	0	2926	1261	0	0	2476	0	0	2673	0	Peptide	0.33333334	1.4166666	0.16666667
10	C31 H38 O4 S1	507.25635	507.25674	-0.54571337	507.25607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4920	1104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	173754	0	0	0	0	0	0	0	0	0	0	5880	0	0	1686	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.12903225	1.2258065	0.0
14	C27 H38 O9	507.25885	507.2596	0.039725754	507.25888	10703	12973	16472	18826	5712	4744	19048	17987	10002	5951	8479	14646	4492	3682	16021	31840	30096	4999	7927	11504	9215	9751	12388	15534	11486	5112	23434	0	12343	19954	14138	28650	15500	7723	4459	22394	13816	14123	30456	4200	9896	6721	0	0	0	9627	8440	0	15732	24982	18965	14172	5588	0	7280	10035	8950	15569	9058	11861	0	3750	11628	9521	5683	6378	7951	32025	0	5011	7701	8311	14140	18789	31340	18846	0	13902	23024	0	15523	5173	16416	2933	13923	9710	23796	3487	5927	31851	6044	8544	16126	5191	8775	0	15934	17283	6122	15574	14242	18401	8913	12273	0	11262	9395	0	21457	5647	Lipid	0.33333334	1.4074074	0.0
20	C31 H38 O6	507.2741	507.2747	-0.076118864	507.27408	7088	5959	4886	4540	2395	0	9023	4368	4230	2293	2395	8131	2090	2019	8473	9431	19911	0	3487	3155	4018	3285	3376	5715	8296	10439	10723	1725	6860	10542	5266	4596	12726	4299	2988	8085	8397	8109	21428	2777	8130	4068	0	0	0	0	4912	0	7963	5190	7447	4639	2494	0	1961	5065	3964	6039	6254	14285	7173	2787	2267	2967	3966	0	2155	20583	5462	5869	5884	4034	2200	7231	10167	8539	0	6971	12579	6702	11092	2744	8183	0	4079	4206	18831	3643	2703	16673	7703	5033	4982	2465	5386	0	7179	4298	4024	6239	7541	9002	4710	6226	2901	5448	4338	0	13359	2551	Phytochemical	0.19354838	1.2258065	0.0
22	C24 H42 O11	507.28	507.2803	-0.2690911	507.27985	29458	25768	24421	25372	32918	19200	14384	29176	25247	27512	23723	14841	24069	15597	18515	27339	19899	30918	38119	50188	58851	24652	24381	31587	23054	67953	9602	24142	26428	27529	20675	29310	28040	27057	34635	24228	26628	23584	18468	29464	23351	18848	4893	0	1433	26811	20600	2854	29078	24853	25774	26859	29158	1896	29393	28298	14921	28432	20913	12341	29072	16468	21199	24186	10496	21511	20302	15387	58387	66465	70332	23711	18454	25021	20462	28078	2402	20106	23864	14294	18723	13489	19009	17342	32624	16501	23845	18927	19030	40200	33784	30682	38058	11096	26978	3068	24176	29519	22038	21355	22971	32747	14376	32975	10904	23608	27775	2867	18799	30778	Lipid	0.45833334	1.75	0.0
14	C25 H38 O7 N4	507.2813	507.282	0.1640324	507.2814	5800	7463	8316	6710	0	1233	1845	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35213	0	0	0	0	1953	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6183	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	229825	0	0	0	0	0	0	0	0	0	0	1243335	321400	0	24800	5398	0	5908	6586	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.28	1.52	0.16
12	C25 H38 O7 N4	507.2813	507.2819	0.26102972	507.28146	2343	3374	2956	2471	0	3916	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47680	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	335327	0	0	0	0	0	0	0	0	0	0	364827	181157	0	30511	2349	0	0	3418	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.28	1.52	0.16
16	C25 H38 O7 N4	507.2813	507.2818	0.09002865	507.28137	4015	3834	3403	4520	0	0	0	0	0	0	2867	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26704	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2783	4020	0	0	0	0	0	0	0	0	0	1406	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	151661	0	0	0	0	0	0	0	0	0	0	1020430	226903	0	15923	3830	0	5798	1732	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.28	1.52	0.16
10	C25 H38 O7 N4	507.2813	507.28214	0.010773497	507.28134	0	0	1175	1421	0	1828	1485	0	0	0	0	0	0	0	0	0	1938	0	0	0	0	0	0	0	0	0	1308	10640	0	0	0	0	1204	0	0	0	0	0	2096	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	123329	0	0	0	0	0	560	0	0	0	0	120995	29971	0	5279	0	0	1662	1383	0	0	0	1498	0	0	0	0	0	0	0	0	Peptide	0.28	1.52	0.16
20	C28 H42 O8	507.29526	507.29587	-0.061553225	507.29523	37904	40794	37097	31963	40353	17292	46431	37143	34451	12197	19559	24942	28305	31356	36436	52999	63390	31640	50066	19466	12392	19964	25817	34511	32731	17265	40365	18030	40383	47990	26964	40388	48695	25075	24687	43869	46795	33023	66653	11028	17490	22814	1199	0	0	17497	20726	0	41375	37956	38640	35488	35095	0	57609	51507	29456	41083	21169	30049	38597	10231	37728	32139	23906	27997	27358	65195	10967	23926	21650	22228	28579	45664	60062	41671	0	26339	54316	25988	29438	14154	43071	26062	58055	32212	64056	25523	26936	55857	37939	26440	36791	14810	12469	0	32374	44480	34584	69217	77733	53726	28955	33820	12326	36675	46131	0	38610	37197	Lipid	0.2857143	1.5	0.0
18	C28 H42 O8	507.29526	507.29596	0.010887109	507.29526	11561	8324	8060	8764	8144	2866	13679	11115	6296	3308	2605	7535	4007	7296	6530	13787	28196	6211	8847	3070	3156	3912	5182	6721	10353	1641	16732	3286	12122	14336	7891	7420	9025	0	0	19534	9181	9470	28939	1577	2563	5499	0	0	0	3813	4909	0	10797	12641	8342	8849	5965	0	17030	11748	7389	12941	4800	6387	12026	2585	6600	9678	5701	6365	8480	25868	2448	2328	3275	3867	6165	11214	23478	12664	0	5751	15817	2115	12655	3102	9847	4211	22474	12109	16873	3980	4734	21477	6158	7187	8194	0	3050	0	11387	8868	8228	25989	29318	15772	5841	8169	3565	7755	13859	0	11590	3451	Lipid	0.2857143	1.5	0.0
28	C32 H42 O5	507.3105	507.31107	-0.10057269	507.31046	5623	4840	4178	4327	2886	1315	7667	9010	3914	1211	6006	3547	2792	2298	4384	8665	9130	0	5109	0	1883	2245	5129	4786	8130	12447	8106	6506	10003	9761	5558	6572	11222	4867	1532	13960	7876	6467	7914	2704	2982	3171	0	0	0	0	0	0	6891	7586	5740	5769	2644	0	7015	8890	3376	10738	3831	2751	5152	1925	2202	4091	3820	3183	4910	11787	8061	3184	4410	1775	6946	9050	3736	6633	0	4827	9187	7198	3666	2217	5659	4203	9094	3874	14368	3555	2515	7933	22449	19821	8873	3532	2682	0	5152	4027	3955	17634	16689	11933	4438	5923	2735	8660	5367	0	5889	1045	Phytochemical	0.15625	1.3125	0.0
22	C32 H42 O5	507.3105	507.311	-0.15614015	507.31042	0	3587	3101	1695	0	0	5359	1614	8151	0	0	1745	0	0	2615	0	15055	0	2799	0	0	0	1648	0	2100	0	4650	2082	1709	2166	0	0	1489	1802	0	3277	2323	2952	13900	0	1902	2400	0	0	0	0	0	0	1697	0	1908	1406	0	0	0	1818	1991	3946	1608	3169	1261	0	0	0	0	0	0	20326	0	0	2072	0	0	2200	6137	3063	0	973	3130	0	2694	0	1812	0	4330	1837	4918	0	0	7107	0	4169	3969	0	0	0	0	2283	3397	5144	5150	4129	0	1917	0	3639	1529	0	4384	0	Phytochemical	0.15625	1.3125	0.0
24	C32 H42 O5	507.3105	507.31104	-0.12646194	507.31042	8699	8525	9301	7801	3201	2857	12317	10435	10464	0	5660	8750	4888	5282	9356	21499	37271	2006	11038	5030	2653	3362	6660	7665	10183	13968	17888	6344	12614	13432	9875	15592	11593	5134	2556	14631	8819	7759	39422	2788	7981	6660	0	0	0	2069	4336	0	13803	9882	12086	9025	4234	0	6130	9919	7486	22778	7130	10790	13193	3232	4324	4761	5492	4101	3899	53821	6863	4803	8663	2926	8265	11389	20655	14088	0	6944	15715	6465	10964	2657	8353	5536	8609	7248	18406	3569	5037	19149	5093	2561	11545	3780	3925	0	9090	7985	4270	16581	15045	19410	8879	8993	2598	13437	8879	0	14845	1162	Phytochemical	0.15625	1.3125	0.0
22	C29 H46 O7	507.33163	507.3322	-0.09413506	507.33157	7514	7698	5975	4908	5416	2832	19394	4715	2812	0	1743	5754	3035	5975	4130	10908	24332	0	5114	0	0	0	2536	4467	9308	2679	19168	1917	7877	10013	6367	8126	9163	4941	0	8629	6633	8281	28159	0	0	3729	0	0	0	1469	0	0	6528	8624	5306	5236	5511	0	5200	6064	5296	11344	1978	3760	9523	0	3705	2930	3385	2295	4046	30617	0	0	0	2387	4985	5786	22437	10901	0	3007	7954	3399	3931	0	10909	4312	8730	7023	15633	1737	2418	23088	4080	3723	4845	1564	0	0	4456	10126	3795	15153	16548	18309	5568	4137	1777	5800	8944	0	9343	1636	Lipid	0.2413793	1.5862069	0.0
26	C28 H46 O6 N2	507.34286	507.343	0.008434229	507.34286	0	0	0	0	0	0	5121	0	0	0	0	0	0	0	28604	0	0	0	0	0	0	0	0	0	0	0	2141	0	0	0	0	0	0	0	0	0	0	16811	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5899	0	0	0	0	0	0	0	Lipid	0.21428572	1.6428572	0.071428575
26	C30 H50 O6	507.368	507.36853	-0.07570379	507.36798	14906	15534	14752	10991	0	2664	73575	7249	0	0	3670	0	0	10699	6577	26938	27985	0	0	0	0	31748	11493	0	28970	0	61818	8287	9434	10871	7972	12235	11259	4055	0	15533	8995	6599	34008	0	0	6735	0	0	0	0	0	0	9062	8129	14091	14705	0	0	0	0	8887	22813	2542	3747	18316	0	1844	0	13847	2484	7248	30904	0	0	0	0	4960	34417	13597	8308	0	3978	52097	13106	37786	5748	6778	7228	0	8284	42447	5833	0	372100	20998	24506	102509	2571	0	0	15653	14749	0	3769	9206	12510	3290	5073	0	20347	5209	0	34119	0	Lipid	0.2	1.6666666	0.0
28	C30 H50 O6	507.368	507.36865	0.13757999	507.36807	3738	4763	5570	4025	1132	1487	48547	12332	0	973	5173	1047	0	7446	4677	29991	13659	0	0	0	0	4182	4212	2605	7864	4042	34661	6237	8673	10445	14986	5530	8012	1651	0	9966	11985	5148	11013	818	1580	3054	0	0	0	0	0	0	5727	9202	4046	5254	0	0	0	2381	3050	8874	5357	1917	9259	2468	0	918	8312	1410	4222	14515	4026	0	0	2918	1417	17897	5126	5397	0	1067	9683	4376	6188	2862	4667	4165	0	2770	12927	2050	2043	34987	5630	6212	10875	1565	0	0	4418	5027	2082	1645	7807	9747	2022	5157	6389	7279	2020	0	9240	0	Lipid	0.2	1.6666666	0.0
24	C30 H50 O6	507.368	507.36847	-0.0341017	507.368	5141	2209	3426	3578	4497	12036	13599	0	0	0	0	931	2105	11331	2568	5585	12689	2218	3771	0	0	4482	5979	0	4025	0	12365	1691	0	1736	1225	1421	2848	0	0	2887	2053	2397	14881	0	0	19521	0	0	0	0	0	0	2630	1528	4811	5142	1259	0	0	0	3549	7211	0	0	4494	0	0	0	9618	1259	10023	14284	0	0	0	1265	1607	2911	5482	1200	0	1261	14556	7574	7746	1336	2431	0	3172	7080	9101	9626	8033	68715	8279	3573	34897	0	0	0	5440	4230	1089	0	5909	3195	1704	0	0	7206	3133	0	6687	0	Lipid	0.2	1.6666666	0.0
18	C21 H17 O14 N1	508.07217	508.0732	0.09993232	508.07224	5734	0	3942	0	27056	5598	0	0	14566	0	0	0	37606	6858	0	0	0	15138	11542	0	4414	10978	4432	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9930	2652	0	0	0	7106	38710	824	0	0	6066	4492	5981	0	32602	26160	5486	0	2708	0	0	4312	54228	27714	11186	18750	3898	0	0	0	0	0	0	0	0	0	0	0	6320	15486	0	11154	0	0	29706	2990	0	0	0	0	0	0	0	36232	9438	0	6328	9864	19700	27196	27102	0	0	0	22248	0	19488	0	0	25370	Phytochemical	0.6666667	0.8095238	0.04761905
26	C21 H17 O14 N1	508.07217	508.07297	-0.03620548	508.07217	3349	2791	3333	3508	8344	5583	0	0	6805	3080	0	0	26166	3275	0	0	0	14184	8124	0	0	8138	0	0	0	0	0	0	0	0	0	0	0	0	3038	0	0	0	0	0	2930	0	0	0	0	5652	11833	0	0	0	4869	0	4994	0	13436	5973	0	0	0	0	0	0	18842	10387	0	7323	0	0	0	0	0	0	0	0	0	0	0	0	2479	0	0	4907	0	0	13026	0	0	0	0	0	0	0	0	7654	6094	0	5527	0	5513	8953	6717	0	0	0	14029	0	6885	0	0	23351	Phytochemical	0.6666667	0.8095238	0.04761905
14	C21 H17 O14 N1	508.07217	508.07315	0.32757273	508.07236	0	3144	0	0	5166	0	0	0	13648	0	0	0	14624	0	0	0	0	4058	5436	0	0	19826	0	0	0	0	0	0	0	0	0	0	0	0	3824	0	0	0	0	0	8842	0	0	0	0	2956	15726	0	0	0	2902	0	3742	0	6942	8908	2528	0	0	0	0	0	24956	8172	0	11002	0	0	0	0	3370	0	0	0	0	0	0	0	0	0	0	5396	0	0	12598	0	0	0	0	0	0	0	0	25330	4066	0	0	0	6982	12164	10456	0	0	0	0	0	0	0	0	10300	Phytochemical	0.6666667	0.8095238	0.04761905
28	C21 H17 O14 N1	508.07217	508.07294	0.076556206	508.0722	4722	4006	4452	5012	9054	5318	0	0	8495	3472	1941	1204	27571	2147	0	0	0	12098	9505	2241	7089	9254	2070	0	0	0	0	0	0	0	0	0	835	0	6869	0	0	982	0	1835	4034	0	0	0	0	5298	19835	0	0	0	3646	3179	5769	0	12141	11272	2619	0	0	0	0	2541	19504	11301	2182	8819	1882	1411	3151	0	1802	0	0	0	0	0	0	0	2763	5939	2605	5613	0	0	15709	5727	2362	2452	2742	1330	1113	0	1788	9006	6381	0	4387	6503	6019	6041	11013	0	0	0	12599	0	7272	0	0	21440	Phytochemical	0.6666667	0.8095238	0.04761905
26	C22 H21 O13 N1	508.10855	508.10938	0.019074757	508.10858	5256	5509	6241	5437	8477	8447	0	0	12532	8228	3249	0	22195	0	0	0	0	16741	10192	8666	13089	14847	0	0	0	0	0	0	0	0	0	0	0	0	14496	0	2159	0	0	7204	6374	0	0	0	0	22826	38172	0	0	0	3555	3806	4097	0	16907	11247	0	0	0	0	0	5814	20347	7993	0	7403	2327	0	0	4789	5005	0	0	0	0	0	0	0	3059	11140	3237	13354	0	0	9880	0	2269	0	0	0	0	1865	0	9792	22340	0	5410	8124	5405	4915	0	0	0	0	21474	2392	4769	0	0	19171	Phytochemical	0.59090906	0.95454544	0.045454547
28	C22 H21 O13 N1	508.10855	508.1091	-0.004110103	508.10855	4988	5159	4832	5877	5601	5692	1303	0	10697	14664	3502	0	16146	2770	1999	0	0	12620	12229	11713	12968	13629	0	0	0	0	968	947	0	0	0	0	1071	0	15805	0	1549	1064	0	5948	5784	0	0	0	0	19165	34290	0	1037	0	5876	4692	5211	0	8169	7805	1142	864	1247	0	0	7883	16365	7146	2586	7667	3928	0	3341	7316	6553	0	0	0	0	0	0	1271	3232	9277	4235	15410	0	1105	10416	5433	2006	1631	2011	1537	1430	2652	2243	13924	14101	0	4307	6447	6012	5395	5384	0	1709	0	22789	2541	7230	0	1423	18448	Phytochemical	0.59090906	0.95454544	0.045454547
18	C22 H21 O13 N1	508.10855	508.1093	0.10236828	508.1086	30190	27236	15754	32059	38043	25871	3770	7161	45937	46221	28778	5852	105436	15681	11168	6280	5668	59758	56006	35722	54055	85321	17213	9497	5992	3664	5639	6589	7921	4373	4936	2663	10013	4818	42179	1881	12466	9552	3863	32595	36378	12601	1766	0	0	86666	121687	570	3127	6292	30358	24647	21731	268	71965	50899	20528	3899	12727	6450	8750	40343	83342	52352	13291	49737	16983	4526	17116	9343	10584	2876	1585	3451	6294	0	343	6383	13858	67853	15289	85781	3555	9211	60699	32538	11950	14485	16847	5787	3868	10740	14804	83660	77646	0	22721	23204	46930	41488	41865	12103	6865	11284	94331	9966	36002	0	4299	65988	Phytochemical	0.59090906	0.95454544	0.045454547
14	C22 H21 O13 N1	508.10855	508.10938	0.11234623	508.1086	25463	22063	26793	25642	39782	16900	6918	7338	44283	54529	39145	6154	80433	13372	11819	5869	5149	48780	41783	42233	69607	117635	20058	8690	3930	1803	3884	8832	3248	3390	5776	0	12193	3511	71589	4134	6438	13449	7454	30775	65028	15895	0	0	0	61842	150525	0	6810	3611	25298	24517	24650	0	49247	41058	17196	9209	0	14470	0	43004	81780	45926	15443	42293	20318	7780	23351	9871	20346	4852	3245	1624	3079	4875	0	6546	21408	67800	12289	64134	4617	7855	48347	17732	13186	15561	21446	12891	7090	13861	17937	93239	72608	0	19953	30772	37748	43324	42350	12809	7627	14178	137880	6210	35768	0	4285	61624	Phytochemical	0.59090906	0.95454544	0.045454547
16	C22 H21 O13 N1	508.10855	508.10934	0.10662235	508.1086	28874	29362	29644	29932	41032	25777	4830	10221	51407	53880	34893	7699	105742	17962	9861	10436	8626	66150	68640	42699	71214	95064	19304	5364	4022	6681	4196	14945	4260	5338	4441	3658	11405	4387	75602	4039	11923	6443	8818	34697	51625	19861	1185	0	0	81395	148265	0	7330	3243	27492	30403	33673	0	58295	49525	22848	5950	9126	10177	7222	44511	83580	50100	21691	53069	25372	5092	25784	9942	16559	4978	3424	3475	5855	2659	265	5656	19061	69310	13394	80473	3235	11585	59859	23990	13381	18940	16579	0	7693	14800	0	94231	102854	0	22005	34260	41980	45893	53836	12868	7540	11412	107355	14503	47866	0	7307	74555	Phytochemical	0.59090906	0.95454544	0.045454547
22	C22 H21 O13 N1	508.10855	508.10928	0.102458805	508.1086	11815	9196	8029	10659	18256	10884	1806	0	26047	11520	4414	2248	28468	14127	2263	2116	2643	28649	15433	11191	18483	28679	3776	2463	1530	2698	2920	1476	1526	1137	1790	0	1734	0	14435	0	2653	2865	1921	10186	12562	3322	0	0	0	43449	73242	0	1221	1432	6723	12323	13128	0	23996	15149	5523	1703	2395	2403	0	16450	32699	22712	3033	15848	7080	1774	6299	4301	7303	0	0	0	1924	0	615	2006	4215	20393	6362	40957	0	3729	21202	12275	4586	4116	5081	0	3252	4714	4040	32016	27137	0	12179	11679	16536	20861	16648	3957	0	3219	48746	3503	16661	0	1249	37784	Phytochemical	0.59090906	0.95454544	0.045454547
20	C22 H21 O13 N1	508.10855	508.1093	0.12000262	508.1086	15128	15875	23244	13383	29055	13091	1762	4254	33320	29727	11348	2754	58955	9702	5011	6098	5878	41933	37185	28533	38196	42030	12808	5028	1657	2201	3031	4693	4460	4457	2928	2625	4225	2900	29151	2845	5439	6130	0	20469	24611	11687	1129	0	0	58248	88798	772	1647	2473	17255	14674	17364	0	46663	29487	13539	4477	8313	3193	6839	27338	58173	40097	12095	25833	9719	2028	10053	7953	10503	1626	1354	2455	4577	0	299	5909	17273	43068	11765	52879	2270	0	38470	21417	7572	6016	8424	2360	4154	5151	6344	51890	43452	617	18557	19297	25096	24884	32533	5128	4207	3147	76341	3919	28709	0	4230	43821	Phytochemical	0.59090906	0.95454544	0.045454547
24	C22 H21 O13 N1	508.10855	508.10922	0.12110434	508.10864	5326	5364	5587	4898	8235	6003	0	2269	11658	10570	3875	904	25671	3435	3043	1418	0	17244	11274	9651	11507	16107	2836	1692	1366	0	0	1286	0	0	0	0	0	0	14106	0	1544	1893	0	7961	4902	0	0	0	0	18456	41765	0	982	0	4392	5375	7598	0	14541	11364	3275	1522	0	1979	1608	11500	22519	15488	3641	9045	3078	0	5344	3088	2206	955	0	0	1358	0	0	869	4358	9014	4135	22532	0	1220	13438	5563	2482	1654	2750	0	0	1418	0	16097	22740	0	4769	4720	9128	7472	8855	1708	1208	1240	36461	1770	9542	0	1396	22838	Phytochemical	0.59090906	0.95454544	0.045454547
10	C22 H21 O13 N1	508.10855	508.10947	0.16581751	508.10864	14516	16340	11626	9818	21012	6116	4202	5596	29694	25766	20532	4060	40862	6660	3630	3886	8770	25240	25644	14478	43532	41608	6902	5688	2472	2910	3176	0	1275	3236	2754	3218	4790	2204	44386	0	4984	3192	2832	9342	43756	9116	0	0	0	28272	81450	0	0	4416	11350	21906	8950	0	34612	29958	9488	4960	4412	8072	0	14472	66756	33596	10732	25338	7106	9798	0	4226	10082	3028	3768	0	0	1742	0	4284	10666	19996	7230	30506	2848	5880	38644	9394	6596	9646	9102	0	0	0	5912	51430	34026	0	13436	13324	26618	36298	33682	5902	3854	0	38216	6054	26684	0	1994	52092	Phytochemical	0.59090906	0.95454544	0.045454547
12	C22 H21 O13 N1	508.10855	508.1094	0.10820415	508.1086	15006	18154	12161	17847	18244	8136	2776	5365	33138	26220	29607	4096	46578	7841	6223	6486	5171	24766	27423	23477	50969	67824	13473	4380	1779	2269	2216	0	3366	1340	1962	2112	5136	3197	43736	2747	3560	4103	4436	19897	51493	8161	0	0	0	36592	99642	0	2393	2023	16596	14213	14123	0	35344	32672	10618	3073	0	8388	0	20526	53749	27832	9491	23465	11369	6805	0	6268	13448	2092	1736	1607	3804	2535	0	3351	10239	24949	7978	31380	0	5710	31924	11791	9277	7166	7346	18701	0	3903	6889	74774	42102	0	23505	12811	30147	31925	30817	6406	3742	6709	53766	6091	23631	0	4792	47301	Phytochemical	0.59090906	0.95454544	0.045454547
28	C23 H25 O12 N1	508.14496	508.1455	0.013350523	508.14496	4577	3525	5709	3427	5325	3564	1312	0	5131	17353	4823	0	11076	1630	3354	0	0	8232	5611	16280	18210	9490	3698	2757	0	7320	0	2798	0	0	1131	1934	2266	1201	18318	0	1404	1484	2050	8821	8494	2673	0	0	0	18562	23345	0	2085	0	5095	5789	4741	0	6269	4008	1510	1629	0	1146	0	4867	9328	4236	2600	6828	2190	863	7312	14424	12341	1336	1120	0	0	0	0	996	3315	5613	2482	13761	0	3969	7129	0	3432	1838	1091	1588	2041	2310	3547	7299	11206	0	4517	5059	3748	3632	4146	0	1184	0	13317	1360	4139	0	1238	9577	Phytochemical	0.5217391	1.0869565	0.04347826
12	C23 H25 O12 N1	508.14496	508.14575	0.04141201	508.14496	55327	57536	54238	53488	38438	24206	30640	49879	47536	140696	81466	26411	65311	16701	27649	34894	34044	62712	66706	132020	128439	149716	41116	42887	19436	38072	16066	55189	34805	26200	30786	25561	40112	23010	197284	33243	30116	32226	35243	102595	119810	26588	849	0	0	131119	153902	0	29791	30724	49328	60375	32085	0	76053	36406	20240	38495	41036	35092	24921	79508	85457	62427	18033	52421	32093	40641	49326	55805	62689	35728	28097	29147	22273	29304	0	25882	36284	80512	34142	83133	24741	49673	46658	26558	33390	21963	27335	47756	20911	39902	50104	102258	98049	0	57624	62768	45590	36322	37876	47541	25788	44564	137596	32206	39338	0	21539	71767	Phytochemical	0.5217391	1.0869565	0.04347826
14	C23 H25 O12 N1	508.14496	508.14572	0.06317947	508.145	80710	82272	76003	74355	67989	49856	35430	63972	90698	216425	112833	35759	123555	31294	46392	53384	39312	104318	86472	169137	200281	212558	65219	61705	35489	61656	35078	69453	46765	49198	47863	68485	62068	40998	261346	36994	59094	41141	38174	150859	130000	38019	0	0	0	201012	246313	0	43524	50976	75439	75716	50023	0	113312	63402	35369	59963	72830	36714	72168	116957	119788	88765	33067	87707	46552	35770	93255	86528	85035	46652	41378	42766	31562	43660	0	41933	53920	142211	48708	135622	41330	72838	75422	41898	45792	41227	43740	47246	50014	61000	88878	147958	172573	0	82298	92549	70169	51293	63434	63761	35850	78266	230978	43663	58072	0	33850	106458	Phytochemical	0.5217391	1.0869565	0.04347826
22	C23 H25 O12 N1	508.14496	508.14566	0.13807005	508.14502	22859	17302	18339	19022	28368	23001	4945	12125	30636	63245	20160	6804	51180	12005	10803	5512	4530	47467	30576	45170	46565	39830	10036	10848	8542	20964	3259	7635	7715	4385	8607	4412	8281	6460	52806	9275	9255	9066	7207	34467	28611	11527	0	0	0	92494	101420	0	5163	6631	16586	26071	25938	0	43692	27944	9078	7654	9788	4511	8152	32064	41685	34475	11734	31093	13627	3413	29724	35728	23152	9393	5888	5813	3800	4539	380	6471	16881	21682	9942	67051	6206	20623	38751	19607	12414	9114	11040	5598	11564	13781	10211	35544	53219	0	18518	20587	22781	21057	26404	10170	5219	7530	71057	8191	27361	0	6691	41658	Phytochemical	0.5217391	1.0869565	0.04347826
24	C23 H25 O12 N1	508.14496	508.1456	0.065318	508.145	5956	9574	7248	12055	9056	9070	1714	4186	15739	33547	10297	2684	24054	3394	5452	4466	0	20592	11403	19478	21844	17411	5406	3682	3961	10591	1145	4138	2357	0	2861	2183	3563	3966	23034	1858	3366	2695	2232	17582	15604	2286	0	0	0	40097	51437	0	2810	2570	10069	8636	6666	0	17935	13228	5625	3582	3838	0	3939	13272	20213	13952	3963	12750	4460	1555	7823	22331	11152	3172	1263	2239	1712	1877	0	2820	7694	16028	5756	32049	3120	11494	15995	9862	6068	2437	4982	3314	0	3429	3967	17105	31044	0	8811	9502	10395	7677	12618	2314	2359	6669	38382	2815	11300	0	2351	25112	Phytochemical	0.5217391	1.0869565	0.04347826
26	C23 H25 O12 N1	508.14496	508.14566	0.020477327	508.14496	2879	4428	5727	4012	10687	9179	0	0	6864	17792	2352	0	14647	0	0	0	0	13924	10150	15950	20263	11145	0	0	0	0	0	1905	0	0	0	0	0	0	15786	0	0	0	2256	9773	11847	0	0	0	0	23755	34621	0	0	0	5478	5405	5920	0	10762	0	0	2601	0	0	0	8554	13424	6709	0	8016	3595	0	8116	13866	11616	0	0	0	0	0	0	0	2749	6099	3813	18698	0	4306	8383	0	0	2787	0	0	2468	4778	0	9261	15545	0	5226	7066	5894	4413	0	0	0	0	14388	0	6228	0	0	17371	Phytochemical	0.5217391	1.0869565	0.04347826
18	C23 H25 O12 N1	508.14496	508.14563	0.012298838	508.14496	224355	222194	201665	173838	232471	161452	68505	108257	256130	623527	202563	80836	419415	108765	128995	136600	45204	291841	337126	476941	430624	458682	132674	134708	112710	148734	71660	137472	130631	89818	129396	112762	144049	104499	691356	104743	134059	110486	75552	365013	204368	100003	7474	0	0	614927	528187	363	128463	115426	230316	233533	132099	526	335079	201099	106104	134808	167072	70376	104864	277587	356434	211829	84884	221101	137769	67836	156343	272300	212486	140299	114171	94167	53097	78805	0	96369	160958	200076	133377	420360	82581	201690	227076	152578	114321	75494	99125	70052	90745	202149	180902	260969	427329	510	254304	213926	196101	142019	162713	100462	67962	118621	370075	114118	182915	0	75677	295816	Phytochemical	0.5217391	1.0869565	0.04347826
20	C23 H25 O12 N1	508.14496	508.14563	0.01892366	508.14496	44884	52340	45618	49381	56076	44885	15335	25973	64700	112412	39175	13801	106148	32501	32861	24625	13563	77097	62030	96726	99013	100376	27544	30870	21708	36067	13832	25244	24433	19436	19064	12039	25787	17732	125713	18664	37156	17434	10123	83588	51814	22580	2740	0	0	168059	163428	0	17130	17071	46028	48332	34915	502	74647	53311	24557	19787	26510	14311	19439	55700	93180	56549	27465	60570	33049	10522	43380	54136	50474	17235	11455	12697	13033	12370	600	18152	31945	66090	27902	104005	14761	50860	56867	38051	19086	20957	20568	9943	24594	28390	30748	81491	105889	0	39199	50100	50903	41057	52194	23989	15859	22963	141886	25036	50851	0	14867	92124	Phytochemical	0.5217391	1.0869565	0.04347826
16	C22 H25 O11 N3	508.1562	508.1569	0.01864917	508.1562	6574	10103	9485	7467	0	5013	9429	9848	6626	0	2761	8832	9323	0	10902	9106	11022	0	0	5939	12489	19995	15244	14460	9106	0	7194	0	9693	7177	8196	11535	11878	10231	14372	9681	11702	9821	9748	8821	11124	5067	0	0	0	11444	11029	0	7986	9189	8504	9015	0	0	21866	4176	5286	12666	12635	8029	13033	11692	10885	6058	3582	10813	8836	9214	0	0	0	7993	5662	7053	5103	8317	0	6853	9104	0	8804	6728	7778	0	3778	8952	14492	9097	7051	0	10156	8754	0	7544	12076	0	8664	8160	4370	4632	4803	9544	8734	12380	0	14681	4253	0	8291	11564	Peptide	0.5	1.1363636	0.13636364
8	C22 H25 O11 N3	508.1562	508.15707	0.01704317	508.1562	21890	22387	18057	21507	12080	7930	10147	23921	17052	20392	15405	19372	22163	4368	14756	19949	22304	16140	20698	16611	27327	38621	18710	21797	8026	998	12176	0	14646	15528	14822	15456	22675	16614	30013	15563	20379	13190	20416	23566	31368	12079	0	0	0	32091	37425	0	20188	20822	22776	26696	9576	0	23073	11925	9791	19673	15134	21598	24223	20982	27347	20358	13334	18250	13339	28168	3830	4299	8443	23468	18016	15580	16335	17899	0	12537	18615	10812	16329	15545	10655	8640	15529	7927	18367	15394	13634	34059	0	16512	35619	20649	21954	0	23422	24688	10278	15107	15262	24203	14644	23080	18476	22775	10749	0	15248	23811	Peptide	0.5	1.1363636	0.13636364
14	C22 H25 O11 N3	508.1562	508.15692	0.054404426	508.15622	20189	20647	16946	14541	12335	13064	12831	19402	15038	15712	6231	14609	18992	4549	20277	20191	15630	15488	19743	10272	18340	24210	20737	22435	12051	2551	12042	0	13098	17608	14717	20062	18097	16626	19745	17709	23164	16817	25180	17784	19463	11022	0	0	0	21541	26649	0	14019	19312	16522	17052	13213	0	23668	8923	9609	20892	17726	10615	22711	12402	21481	20370	10914	11910	16632	17148	0	5918	0	17958	15294	15363	13821	15982	0	16376	20577	0	17233	16520	11847	8356	12443	8194	15003	10624	15618	32603	13322	23477	38967	15844	13270	0	21612	10056	7820	8641	9604	20247	15437	20684	0	21470	10576	0	15463	22172	Peptide	0.5	1.1363636	0.13636364
6	C22 H25 O11 N3	508.1562	508.1571	0.04789108	508.15622	8691	11627	8301	10872	4979	4429	3469	10374	8339	8337	7011	7881	11572	2030	5874	9685	8277	10280	11460	5722	11596	16587	8350	10809	2410	487	4369	0	7458	6492	10547	9752	10911	6137	11330	6733	9799	6472	14534	6320	17086	5566	0	0	0	11669	22554	0	9245	7061	7745	10374	4962	0	9418	6484	4240	9208	6080	9495	10637	6450	17743	11217	3748	10997	5703	12370	2557	2432	4202	6684	7171	5958	6172	6798	0	5870	7368	3794	6724	5970	4492	3638	10448	5365	7198	6793	5705	16529	4448	7000	14911	11447	11490	0	9566	9841	4806	8889	9187	12262	6968	8805	8225	8817	6492	0	5353	14936	Peptide	0.5	1.1363636	0.13636364
12	C22 H25 O11 N3	508.1562	508.15695	0.036824103	508.1562	28439	23650	21409	23295	11298	12653	22281	34429	19408	17192	11402	26866	23602	4885	21478	29305	28013	25520	25823	22545	21217	42572	28312	34285	17459	0	14586	0	29916	19265	26448	22941	37292	17570	32663	22733	30528	22794	32722	43795	38824	13049	559	0	0	43229	37495	0	26066	27810	22061	27928	16744	0	26928	13124	13624	25120	33713	25254	31580	30127	24230	23539	12171	24545	18744	38138	0	7443	5884	24184	20189	20473	16957	20060	0	23988	29120	0	20420	23413	17789	14138	15953	12276	21814	18861	19082	53707	14327	35183	54046	23147	18667	0	23623	27179	14260	13152	11242	30134	22856	31408	27153	31175	13673	0	20971	23458	Peptide	0.5	1.1363636	0.13636364
24	C27 H25 O9 N1	508.16022	508.16086	-0.054493897	508.1602	1456	2289	3131	3198	2528	1881	0	0	3620	17115	11175	0	2417	1286	0	0	0	4414	2113	8692	11733	5585	0	0	1347	16679	0	6847	0	0	0	0	0	905	21241	0	1223	0	1304	8913	10733	2351	0	0	0	10628	13738	0	0	0	2368	2696	1370	0	2544	0	1200	0	1594	0	1758	6584	2828	3130	1295	0	2504	2024	19730	11607	18289	781	0	0	0	0	0	0	1344	4429	0	5497	0	6885	2297	0	1578	0	1424	0	0	0	2183	8825	9278	0	3085	2449	2827	2155	0	1877	0	0	4482	2179	0	0	0	2168	Phytochemical	0.33333334	0.9259259	0.037037037
22	C27 H25 O9 N1	508.16022	508.16092	-0.008379652	508.16022	7982	7130	7392	3939	4054	2661	0	1231	3342	28159	21703	1713	3434	0	0	0	0	0	5978	13823	15605	7441	1977	2945	2069	25977	1049	25284	0	1596	0	0	2213	1451	27016	0	2970	1085	0	16511	20140	1714	0	0	0	11909	18301	0	2011	0	5796	5067	2838	0	3598	1839	0	0	2525	0	1973	8116	6982	2942	2471	3684	3752	0	30586	37563	42129	0	0	0	1286	0	0	0	3352	13723	0	12869	0	13676	4533	3054	3822	1799	1222	2356	3479	4840	5130	14573	13234	0	3388	2993	3515	7610	3677	0	0	2674	9446	3534	2938	0	2582	3979	Phytochemical	0.33333334	0.9259259	0.037037037
18	C23 H29 O8 N3 S1	508.1748	508.17517	-0.0695147	508.17477	8530	4922	8172	4446	7648	3337	0	2418	8610	8852	5865	1529	6957	2635	3615	4779	0	2068	4558	10549	7971	7914	3538	8433	2266	4269	0	15928	0	3182	1625	0	3672	0	7067	0	4391	4726	0	11868	11813	3964	0	0	0	5599	7002	0	0	3032	6780	10232	2982	0	1953	3293	7062	4359	1343	2612	2941	930	1715	2627	5668	4018	1900	2364	5388	6311	0	6629	1408	1233	1310	0	0	3119	11374	6168	3104	5208	2243	2607	4652	3433	5778	9088	2125	0	3562	20477	8625	7778	9245	0	10440	2938	1526	2459	3590	4164	2805	9897	3772	3761	2957	0	2862	2805	Peptide	0.3478261	1.2608696	0.13043478
12	C24 H29 O11 N1	508.18134	508.18213	1.33E-5	508.18134	63824	64797	64372	53130	39226	33969	52533	79197	40188	136833	83614	38933	54537	19938	92668	53479	43420	54759	56236	139185	126788	121814	47422	67782	44152	70996	38336	66402	59775	50850	58878	49386	71433	52781	210054	115822	46745	43045	52727	230494	115524	34693	630	0	0	115244	110283	0	50560	58687	68725	59585	38677	0	63993	31520	21506	65062	73343	62410	60975	79768	72082	44343	18562	44027	41580	56724	60869	88562	84900	54542	54856	56980	41992	42151	0	43358	51120	41724	42069	125560	95568	69702	38202	27415	43602	25054	31988	78722	52321	62431	80115	61700	76804	0	74902	71554	41310	30502	31153	66231	38642	68315	67401	59667	32106	0	42251	65987	Phytochemical	0.45833334	1.2083334	0.041666668
22	C24 H29 O11 N1	508.18134	508.18198	-0.011022476	508.18134	47292	56796	50917	53310	46576	44167	12404	37860	61584	145915	47152	20745	75443	28943	39027	33775	17576	77055	63561	121231	116628	63431	33392	41954	33975	82621	16053	37366	39313	26908	27955	25184	39220	25196	140851	23629	38900	23524	15789	81107	52632	26692	2303	0	312	143196	150617	0	28099	31682	44137	51492	38660	0	73651	51568	25785	34752	35537	15411	38030	56775	73097	54150	21537	58867	34246	15629	78776	118148	84087	35355	26590	28005	16448	22395	280	22510	30832	35071	35644	86783	23068	46196	66238	36158	31566	19458	24001	22557	31371	36789	41769	42734	86629	0	47682	56355	48266	45053	47603	31589	21021	37285	101121	30133	45880	0	23011	76842	Phytochemical	0.45833334	1.2083334	0.041666668
28	C24 H29 O11 N1	508.18134	508.18195	0.06276426	508.18137	3055	4937	5509	4702	7813	3191	0	0	6619	21200	5613	1464	15171	2851	0	0	0	7087	5074	17159	17944	6271	4049	3829	3532	12428	0	6245	2419	0	2899	1585	3357	2124	18841	0	2474	2647	1736	9244	5942	0	0	0	0	11002	13901	0	3091	2828	6408	3635	4569	0	5613	2978	2032	2590	1616	1104	3378	5892	9780	5284	1309	6688	2643	1651	11722	21245	19270	2003	2019	2499	0	1477	0	2035	4139	3994	2085	7217	1998	5582	6228	3707	1352	2118	3383	2453	4073	5584	2812	2391	9158	0	6585	4459	3381	3364	4261	3765	1614	0	6477	2514	4449	0	1955	12089	Phytochemical	0.45833334	1.2083334	0.041666668
8	C24 H29 O11 N1	508.18134	508.18222	0.08112518	508.18137	18076	17680	17817	19905	8697	6070	7432	17296	11213	82036	17868	6151	20596	5663	11745	14985	9729	10013	16956	33197	40007	72798	10892	18370	7574	8471	8614	9335	13545	15133	10768	13148	12934	10563	59507	13349	16436	9938	14560	28502	50218	5992	0	0	0	22704	46266	0	12718	11343	12748	15564	7831	0	21076	11295	6430	12208	9884	12778	17568	14439	17583	13947	4473	14142	9946	11289	9165	14088	17563	13153	11347	12039	5947	10206	0	7853	14076	13529	12869	26166	9465	14834	10480	4639	10516	6550	8026	38260	11861	17433	20541	21861	32294	0	17930	20835	11879	9464	11354	13652	6881	19698	10548	11280	7370	0	11152	20554	Phytochemical	0.45833334	1.2083334	0.041666668
26	C24 H29 O11 N1	508.18134	508.18198	0.019699177	508.18134	8059	6582	9319	5639	12507	7965	0	0	12038	35285	6191	3592	21356	2834	0	0	0	21538	9887	17277	29574	9218	5235	7014	0	18123	0	3844	0	0	2440	0	3162	5459	29049	0	7376	2812	0	13467	12213	0	0	0	0	21473	24681	0	4678	0	9600	8518	7015	0	13101	8550	4883	4422	3295	0	0	9475	16947	8593	0	10140	2272	0	23173	30140	24350	3169	0	0	0	2920	0	0	7299	5918	4398	12713	4595	7938	11702	6958	6496	3101	4571	0	2760	5647	6776	6560	21439	0	8919	11271	9832	7463	4484	0	0	0	18985	3744	8728	0	3821	20457	Phytochemical	0.45833334	1.2083334	0.041666668
18	C24 H29 O11 N1	508.18134	508.182	0.027297871	508.18137	173095	160591	166053	161255	123083	102233	69991	163421	129804	429859	177437	71351	203450	71130	117883	131224	69386	195097	203516	391803	326751	215305	127396	162329	111784	236687	65416	135008	143259	117460	122483	130534	128974	110709	483197	125502	151115	91069	72002	288636	149350	97157	5259	462	0	319292	235155	487	120698	119221	152942	157558	101685	607	203302	104504	63540	120306	123068	54135	133844	188765	180786	126498	65433	134926	107862	62076	193245	261685	222571	130867	115002	130248	71075	120626	270	88190	104473	111627	90732	181030	89790	161583	130481	97521	84604	81359	91097	75202	140134	153085	181105	136193	241847	772	155996	174523	126717	89493	101759	134169	77023	164019	182423	106807	96944	416	74999	182293	Phytochemical	0.45833334	1.2083334	0.041666668
24	C24 H29 O11 N1	508.18134	508.18195	0.004919207	508.18134	19893	19354	20892	19049	22268	18575	4099	12739	26436	59538	16693	9016	52120	14329	9200	12947	5480	35088	27337	41533	58041	23571	14751	15976	9406	33230	2714	9616	9530	7714	10084	7364	11515	8368	41921	8048	12386	6125	4415	27987	21275	8786	0	0	0	53908	52631	0	10619	9814	20180	21840	16427	0	31102	26738	8042	11453	7723	5106	11059	24975	34302	21777	7855	20940	10498	0	32441	47471	33590	13803	11197	8698	7147	6218	0	7965	15586	10755	14843	35836	7498	18213	27551	13879	10785	8855	8919	6022	14205	11453	13806	16410	34048	0	18202	16659	18871	15231	24593	9498	7166	15141	27237	6862	16261	0	10000	46251	Phytochemical	0.45833334	1.2083334	0.041666668
6	C23 H29 O10 N3	508.19257	508.19354	0.034997012	508.1926	19902	17842	17350	15168	7656	7769	11785	16812	9700	15024	8178	12790	12414	1902	14500	20596	13253	12811	16472	12915	18257	25377	16224	26545	10965	1135	11697	3560	15482	11755	15693	16391	21113	16934	20651	17336	21081	12384	22604	13746	17770	9806	0	0	0	18594	20650	0	22511	16554	17290	17807	9503	0	12538	6744	7553	22327	13060	13925	20487	11394	13392	9287	5377	13107	11261	20676	2620	4246	4203	14854	15331	12330	7948	12625	0	10631	14793	8723	11192	7506	9239	7249	7468	6023	16302	11160	11251	30415	12095	20407	40851	10025	15408	0	15372	15223	5014	7243	9328	18527	10219	19010	11781	22374	6721	0	12048	13914	Peptide	0.4347826	1.2608696	0.13043478
14	C23 H29 O10 N3	508.19257	508.19327	0.008956632	508.19257	31692	31879	28174	31558	11169	20088	26869	47715	17018	24237	10371	21150	17466	7393	36719	41150	27494	24368	24655	21360	22199	46604	33052	46952	45014	0	21286	0	38948	29463	38992	38479	51171	28224	31698	39936	53811	28064	23787	32504	13451	17591	0	0	0	35281	20527	0	37381	32868	24263	39999	18363	0	26440	11540	12972	45545	65240	18332	36921	20061	16286	19102	0	17942	0	33762	0	7133	0	32450	25939	30887	18459	32271	0	27027	38355	0	26523	18251	29466	15639	12195	16835	33154	17995	18722	44400	35679	52286	79086	17898	22560	0	25452	31120	10339	9525	7493	43454	25183	46260	29114	42922	13127	0	34991	30259	Peptide	0.4347826	1.2608696	0.13043478
16	C23 H29 O10 N3	508.19257	508.19315	0.016429538	508.19257	312902	313043	334111	344885	216261	216606	227069	356014	262498	673549	314652	184789	305915	121591	304472	304309	194904	321061	360989	671552	601573	431078	307122	390100	266960	338123	191194	265097	322057	256107	325373	319292	355331	253462	835717	305897	362218	229807	220158	501130	354808	167297	5466	419	0	491675	389342	0	326559	304744	341301	323187	204017	578	307514	162731	136567	321025	340815	176520	367398	306722	304658	252236	124485	240529	204492	214130	300605	458043	362620	332758	301580	328170	187786	267611	0	248019	270622	239190	210906	346348	266214	334351	187427	161149	251523	156865	196418	88240	301695	408971	325717	245899	416589	641	326018	335321	176820	154149	178518	241650	215814	330354	294432	378917	196834	342	247505	322974	Peptide	0.4347826	1.2608696	0.13043478
10	C23 H29 O10 N3	508.19257	508.1934	0.017542822	508.19257	43130	42487	39756	35254	15730	16887	33459	56187	18947	32053	15443	29228	27890	8359	37129	44174	32524	25068	28603	35776	33834	66948	40135	61666	36889	0	33276	13539	41946	33945	36011	45462	50096	38617	49546	45470	56537	33459	39414	50146	34065	20230	0	0	0	51649	29909	0	47945	41584	44269	43766	19336	0	28945	14568	14665	56395	50533	31889	38734	32810	23512	24780	16135	27106	22999	44535	0	20832	10304	45928	32259	37829	28307	33032	0	30918	43331	15416	30922	24601	35766	20732	15406	15972	41565	20331	21400	58931	39945	59214	93694	25575	44020	0	42648	43711	12556	15123	12418	46671	25916	51149	31218	43226	9788	0	36212	22505	Peptide	0.4347826	1.2608696	0.13043478
12	C23 H29 O10 N3	508.19257	508.1933	0.025651876	508.1926	40011	45721	36372	36410	11257	17523	44553	62282	18113	32329	17319	27879	19426	8715	39565	44459	33394	23011	38838	46327	31883	72867	40441	58409	48363	0	37017	11633	53679	33926	45050	42745	57696	41630	54760	48962	57022	42287	46313	49800	28253	22925	0	0	0	41943	28578	0	53378	38768	39001	38597	18605	0	32740	12045	14825	52507	72522	32278	40599	33397	20960	21920	15554	26610	26060	45785	0	16346	12414	47788	41363	41591	26991	37272	0	33992	40789	17797	36016	25706	37077	23086	13391	21636	41792	18560	22151	69070	47451	60585	90503	23981	24664	0	38434	47496	14510	12988	17796	51452	33354	49236	25792	51177	16067	0	40450	31104	Peptide	0.4347826	1.2608696	0.13043478
22	C28 H29 O8 N1	508.1966	508.1972	-0.054101225	508.19656	4869	4263	10453	7471	3430	4126	2175	3129	3845	22320	25138	1909	5650	0	1525	6176	2728	6184	4852	20116	21481	9713	4537	3524	4855	43217	0	24293	0	1703	2277	0	5067	3381	18134	1878	2779	2278	3428	20857	19606	3797	0	0	0	8745	16395	0	4220	1116	4496	9376	2941	0	3336	3630	4171	3760	2989	2946	4072	11079	4354	3600	2720	6434	2356	0	43300	46520	54826	2714	2150	2425	0	2425	0	1363	6621	5379	2848	8126	3339	16788	5628	2762	4247	3688	3675	7217	8004	5776	7527	8951	12245	0	6367	6491	3339	4126	3582	4654	2684	4157	9587	3271	2555	0	4850	3698	Phytochemical	0.2857143	1.0357143	0.035714287
24	C28 H29 O8 N1	508.1966	508.1971	-0.0767981	508.19656	2986	3829	4547	5012	2358	2416	0	1865	2293	14917	18505	0	1995	2444	1782	0	0	5848	4181	8797	12577	3838	3418	3017	0	28597	0	16137	3332	0	0	1090	1309	0	12506	1731	2623	0	2315	7226	16365	0	0	0	0	7799	11154	0	3665	2227	3535	3401	2729	0	2377	1057	2667	2082	1964	934	1928	9437	1325	1016	0	2857	5035	0	28491	20895	36511	1858	0	0	0	936	0	1675	0	6701	3595	8111	0	10328	1985	0	2258	0	2849	3201	2482	3711	3587	10254	6542	0	5444	3725	2919	1938	0	2224	915	3594	4684	1970	0	0	1887	1645	Phytochemical	0.2857143	1.0357143	0.035714287
18	C25 H33 O10 N1	508.2177	508.21835	0.037540756	508.21774	543620	519692	500437	486321	347899	315256	300736	644223	367741	939323	476836	323705	540276	238776	471301	569962	324558	532187	639027	1219472	1012792	524135	496258	678522	440085	949436	269857	431521	565576	504361	510239	515216	577761	518978	950563	579563	548474	372252	352958	793343	510730	324622	11230	1114	0	651584	479265	1142	529935	78208	520450	520574	307335	2472	594544	345360	232825	532742	449808	273010	592152	468478	476185	385589	211740	405238	331844	62861	682741	1036849	937584	538779	456361	562828	397459	508593	0	388056	444429	308091	376979	370958	381304	464938	420808	286519	376552	281874	329563	342144	563272	572819	755546	317004	494576	2238	523303	574157	319148	288806	326396	563653	315292	101532	355242	457208	321194	766	351545	485617	Lipid	0.4	1.32	0.04
8	C25 H33 O10 N1	508.2177	508.21857	0.035981312	508.21774	15104	17988	10514	11789	6355	5568	7128	12957	7976	27807	8932	6366	10672	4315	8793	13437	6845	7148	10181	25909	26595	25411	11227	19298	10300	6670	5461	6973	14751	11199	9066	13543	10657	10838	40305	12061	13345	5982	8046	21189	19080	5517	0	0	0	14623	10703	0	15732	11156	14415	12336	5372	0	11689	5384	3814	10580	6296	5413	13832	8212	10935	9247	3836	8216	6609	10164	8535	13456	12622	10331	8955	11481	7483	13517	0	7983	10094	5288	6269	5769	8377	12429	5646	0	9071	5654	7412	13784	15808	18817	24381	12763	16884	0	16956	12312	4502	4458	6382	12419	6934	20421	0	12936	5011	0	8234	9140	Lipid	0.4	1.32	0.04
20	C25 H33 O10 N1	508.2177	508.21835	0.039814074	508.21774	226295	204545	203728	186846	172088	155563	103567	251202	196159	409627	193471	119833	252067	120965	185127	205103	119812	241866	265395	503379	453716	229872	193490	264107	164756	398431	94746	171099	221010	197344	185696	171358	212942	197367	477604	206998	239791	135162	109187	309013	174020	140571	5662	814	0	311404	231080	721	192182	192552	189633	209312	151888	897	236056	163062	95619	185640	199548	87221	216744	200466	211764	182397	93465	183892	137528	97840	301033	503159	374250	217330	186961	210601	138606	167543	0	144253	160460	0	145589	147638	0	235628	184600	121546	146075	125415	126168	119640	202874	228657	270904	129286	207832	1236	202201	246995	148508	121810	146516	214886	115982	245415	195932	184657	155171	802	124146	236310	Lipid	0.4	1.32	0.04
12	C25 H33 O10 N1	508.2177	508.2185	0.021006823	508.21774	32893	37567	40968	33795	16442	17286	30937	58480	18244	64567	32098	22389	27962	11432	33878	40703	36526	23531	35716	71910	71845	52815	27843	46145	36811	34990	23593	20547	47447	34415	36810	31938	42451	29463	89853	36313	40928	27994	39463	66541	46672	16298	472	0	0	52959	47338	0	36930	42137	38213	40311	17888	0	27546	17614	12390	46128	35266	32775	34591	35055	28228	19481	11213	25312	18462	35514	35569	56403	48909	31443	29878	34688	33724	29824	0	27280	31035	15515	30377	27452	28435	33786	19538	14358	31695	13859	20031	57509	35558	35119	54523	28608	44897	0	35738	39464	22770	13941	16024	42129	19778	47761	0	34398	20406	0	29700	27904	Lipid	0.4	1.32	0.04
28	C25 H33 O10 N1	508.2177	508.21832	-0.08129834	508.21768	6947	4323	6870	5405	4073	6269	2733	5441	5793	18218	6097	2022	12360	3626	3310	5633	3192	9034	6917	21467	22504	4216	5125	6742	2572	16287	1213	8019	4056	2186	4326	4595	3847	3736	19976	3670	4704	2646	1754	12082	7490	2642	0	0	0	8540	9083	0	6129	3228	5289	5821	5734	0	8413	6246	1727	5289	1818	1613	6476	5635	8659	3003	2442	10451	3750	2543	15097	33088	30555	5341	3209	3453	3093	1891	0	3065	6548	0	3928	5344	3288	6326	7864	4832	4942	2875	2683	3704	6090	5273	8016	2041	6298	0	8080	7775	4365	5261	4799	3716	2654	7886	5287	4615	3218	0	2096	10771	Lipid	0.4	1.32	0.04
16	C25 H33 O10 N1	508.2177	508.2184	-0.001650341	508.2177	408645	406404	435545	393171	244492	200746	267341	482762	250655	608315	357650	61851	311431	146689	384435	492017	327243	327041	400646	765126	690665	414276	389685	519006	319215	129057	249722	271865	412112	427156	405068	437582	429731	323358	730147	485140	386697	315581	362027	484714	430928	238284	6474	0	0	466860	374411	0	457437	443329	375473	363114	240557	1002	348506	235073	181219	379613	344048	290608	536018	286250	309835	273880	162977	284091	240510	579916	478755	645650	615443	415817	388372	455159	367335	387319	0	524445	393654	271574	303727	279306	308274	375551	298810	203515	349597	216943	233633	437602	365772	391462	441958	214334	394047	1738	406449	459385	217533	179020	232182	402649	265090	471600	262314	362620	251190	0	314006	349745	Lipid	0.4	1.32	0.04
22	C25 H33 O10 N1	508.2177	508.21835	-0.019468483	508.2177	137310	370708	341366	146032	349016	333084	154414	159058	421266	929590	370064	189766	482860	236864	317658	320654	173512	582312	628492	889750	818270	148460	122700	376204	318566	607140	62090	355246	396255	116032	128990	347938	153885	303114	962776	126378	456756	255590	165676	554856	302494	209166	6912	0	0	550528	345164	0	291856	334530	364592	377246	286920	922	491098	331256	172388	123102	150882	142584	366262	367510	185720	356638	154642	351522	246424	168506	521236	989714	691744	376048	306440	329518	181896	273874	968	268786	116640	165150	305448	297574	218034	312558	385214	228502	297326	193814	228826	62546	338348	423100	170374	195616	423166	0	374074	386176	272142	255626	259758	140762	80406	372198	310986	124980	303110	0	222396	555846	Lipid	0.4	1.32	0.04
18	C24 H33 O9 N3	508.22894	508.22992	0.19821617	508.22906	79846	84610	86963	78795	52637	36900	60848	96677	67007	153093	104952	57605	81760	27350	73319	85142	68972	64283	93831	155918	137988	89307	71860	109006	69735	114222	48399	83763	73578	76725	74971	79194	95127	74548	150165	88815	83332	66504	71228	102965	87430	40656	1256	0	0	83276	57610	0	90979	78208	81296	100032	44307	0	85564	49396	39301	88980	78996	45116	75316	65178	82285	71969	35692	58052	51652	62861	93895	141493	158166	71655	61567	83590	72289	83979	0	63572	89299	44659	71863	43094	67472	78528	63508	41435	77690	48176	51239	69722	112450	84969	123511	46668	62162	0	88347	87099	46406	49896	52552	92447	52606	101532	39046	82858	50308	0	73009	81679	Lipid	0.375	1.375	0.125
12	C24 H33 O9 N3	508.22894	508.22983	0.11134413	508.229	11020	10946	13185	15294	4572	5814	13703	14612	5847	6244	2441	8148	5663	2546	14483	11365	10752	8159	9300	13751	8224	21405	14072	13155	19814	1533	11945	0	14742	8570	14296	11262	21949	11045	16967	15341	17870	14317	7917	17488	0	6217	0	0	0	11262	0	0	16265	11711	11043	11850	6498	0	7362	5419	7379	18493	14634	0	0	5522	4454	5392	3637	7965	6311	11194	0	5773	0	13630	9440	13531	4359	8928	0	11035	12933	0	11600	7692	13907	6257	3295	5060	11023	4061	6193	19665	22510	30147	29103	9185	9716	0	9038	9397	3897	4029	4474	11332	11351	13830	0	18423	5304	0	15965	6900	Lipid	0.375	1.375	0.125
14	C24 H33 O9 N3	508.22894	508.2296	0.022234738	508.22897	10377	9502	10028	7733	3989	4704	9173	11677	5394	9171	0	6280	2943	2455	13303	13008	4970	6542	5153	7159	5814	18743	15615	17671	15586	1613	8687	0	16454	7694	15188	13160	26671	9067	7688	10345	15078	14210	9581	13575	4485	4946	0	447	0	8650	0	0	9457	10636	6609	9439	4682	0	6320	2900	6710	13323	19598	0	0	5535	5700	4868	5291	3685	7616	8898	0	4878	0	9681	10159	13989	4829	13182	0	8366	8269	0	9769	6104	10493	6262	2762	0	9387	8523	7068	10365	21537	22950	30819	5254	12756	0	7814	8666	2696	4057	5189	13748	8999	15501	0	13280	4376	0	14006	5599	Lipid	0.375	1.375	0.125
8	C24 H33 O9 N3	508.22894	508.2298	0.072396494	508.229	9922	12341	10526	14402	3834	5679	5990	15737	4806	7963	3637	7483	6436	3092	11966	15148	7603	6243	10739	12746	11035	17659	10424	19715	9986	989	6750	2505	12162	9955	11788	12561	17016	12128	15963	13336	18601	9392	8169	15327	6795	6518	0	0	0	12110	7153	0	15560	13401	10121	10196	4494	0	9586	7584	4287	15198	8207	5011	7763	4878	4478	6872	2916	5718	6258	11087	0	3452	3897	14451	8716	9967	6384	10796	0	8130	10721	5052	6982	4671	8426	6708	1867	0	10114	5096	6315	15325	16478	21349	31785	6810	9348	0	9325	9038	2581	5808	6029	15517	7384	19172	6488	14120	4437	0	9330	7132	Lipid	0.375	1.375	0.125
24	C29 H33 O7 N1	508.23297	508.23358	-0.076684184	508.23294	7752	6310	6740	7036	4993	2340	2044	6245	1896	11236	16153	2661	2409	2125	3279	5052	2414	3175	7885	13339	16416	3701	2857	5892	4608	31212	2696	20656	3890	4383	4640	3427	5218	6773	7218	5528	4231	2943	3087	12940	17438	2416	0	0	0	8414	8598	0	0	5744	5136	5070	3444	0	3059	2162	2568	2760	2515	3675	4444	8437	3693	2746	1449	2142	5777	4087	36756	23538	41885	4482	3891	1966	2081	2655	0	2334	6135	8298	4252	6172	3278	10811	3959	3891	6284	3837	3250	7269	7260	5948	9498	4632	7731	0	6775	3363	1746	3239	2642	6162	2941	7317	3286	6772	3202	0	3710	1279	Phytochemical	0.2413793	1.137931	0.03448276
16	C29 H33 O7 N1	508.23297	508.2334	-0.4249071	508.23276	9847	9186	0	9223	4834	0	6635	9653	0	2836	2505	4654	3987	2524	14376	6349	0	5823	4789	12222	6949	10636	10777	15939	14681	10660	7516	5504	13499	0	10122	10558	15543	11546	10442	12981	15529	8775	8673	8420	0	4241	0	490	0	0	4254	0	12918	9295	8593	10219	4465	0	5834	0	4646	12587	16545	5306	0	1077	3428	0	3689	6957	6135	7578	6004	8084	7443	11428	9671	8615	0	6463	0	9068	9999	0	7408	4248	8962	7532	0	3359	9411	4403	0	0	23373	23356	0	4289	8624	0	9687	6893	0	0	2280	13776	7057	13923	0	0	1821	0	9838	5474	Phytochemical	0.2413793	1.137931	0.03448276
10	C23 H33 O8 N5	508.2402	508.24072	-0.102683485	508.24014	1664	2101	3287	0	0	1765	2300	3472	853	0	1473	2055	0	0	2746	0	0	0	1683	0	0	0	1472	1464	3238	0	997	15786	3070	1760	2563	0	2861	0	0	2132	3258	2228	1344	0	0	2243	0	0	0	0	0	0	0	0	2029	2104	1393	0	1929	889	1563	2100	0	0	0	0	0	1864	1450	0	2134	0	0	0	0	2588	2285	4351	0	0	0	0	0	94188	1703	0	0	0	1246	2037	1558	0	1415	3277	74292	21676	3010	6559	0	0	0	0	0	0	933	1093	2039	0	0	2869	0	0	2522	0	Peptide	0.3478261	1.4347826	0.2173913
4	C23 H33 O8 N5	508.2402	508.24136	0.26146358	508.24033	2697	3903	2862	0	1314	3570	3339	7590	2403	0	0	3375	912	0	0	3873	3459	972	1947	0	0	2748	4695	4476	4647	0	2007	0	4308	2649	4515	888	7518	3348	0	0	4614	4746	0	0	0	0	0	0	0	0	0	0	0	6528	3048	2280	0	0	1374	0	0	5886	3093	0	7275	0	1179	0	0	1155	1368	3522	0	0	0	4986	3801	4614	0	4662	0	3255	1908	31476	2640	0	0	0	3126	1614	3675	0	1647	4668	20022	4197	4470	2724	0	0	1950	3210	0	1533	0	0	3633	0	0	0	1293	0	0	1386	Peptide	0.3478261	1.4347826	0.2173913
8	C23 H33 O8 N5	508.2402	508.24094	0.08885591	508.24023	4666	1690	2304	2586	0	3221	1528	3070	1241	0	2522	918	978	0	2326	3572	905	0	0	0	0	2243	1213	1829	2615	412	1633	30328	1662	0	1556	2215	2193	1685	0	2915	2685	1206	1698	0	0	1457	0	0	0	0	0	0	0	1587	1428	1596	838	0	1043	0	0	2117	0	0	0	0	0	0	0	932	0	0	0	0	0	2359	0	2659	0	0	0	1248	0	129497	0	0	1045	0	1499	0	2313	918	1320	2486	107975	41323	0	11159	2862	0	4337	2622	0	886	0	1742	0	0	0	1844	0	0	1706	915	Peptide	0.3478261	1.4347826	0.2173913
10	C26 H37 O9 N1	508.25412	508.2549	0.05777029	508.25415	10130	5980	9731	7121	3732	3831	7106	13048	2782	13518	4190	7214	4187	2309	7485	9020	7364	2700	6401	13352	14321	18786	5232	16961	8086	8683	3796	3970	12133	7332	11142	9225	16046	9265	20283	12299	13424	6914	7244	10496	5135	4332	0	0	0	7650	6017	0	12097	8168	7726	7664	2317	0	7330	1817	1584	15115	0	0	9677	3575	2306	3754	1514	3758	4714	10373	0	10302	6113	10521	7324	9592	8303	7641	0	6086	6194	0	5867	2809	2459	5042	2101	1659	5249	2246	2944	15505	9781	7974	18465	5737	7957	0	10105	10348	2129	3941	3779	11321	6255	11243	0	8337	1092	0	6073	3331	Lipid	0.34615386	1.4230769	0.038461536
14	C26 H37 O9 N1	508.25412	508.25482	-0.04536364	508.2541	25356	20626	26855	20551	14802	10900	18803	25702	9123	22407	9354	18413	10233	6972	21731	29314	32382	9219	13994	31140	27679	27542	22117	35483	24322	20395	15581	14613	27654	26893	24215	22390	31974	22538	33765	28944	22080	16024	29756	20380	16351	14071	0	0	0	20496	16821	0	25119	28559	18971	21707	11831	0	13209	7604	8660	29342	11359	19049	33132	14040	7592	8922	6892	10825	14752	29343	15645	25548	28804	21426	19205	28717	29307	21434	0	19225	21073	0	18610	11710	13800	12606	14352	10433	23281	8015	12992	64028	29643	17400	51455	8923	19238	0	27252	22903	5581	10493	8511	33325	15316	32994	0	26966	12766	0	16318	7718	Lipid	0.34615386	1.4230769	0.038461536
12	C26 H37 O9 N1	508.25412	508.25494	0.11479399	508.25418	9660	13221	10139	11783	4857	5064	6497	27630	4138	20736	8516	4551	10300	2622	10575	18403	12152	5733	11251	23321	22403	12969	10487	12062	13171	8219	13224	0	24255	10467	20239	22742	28555	15235	31541	27077	19978	15627	13035	26388	6060	6242	477	0	0	10656	4645	0	22326	21669	8214	13948	4046	0	7303	4222	5919	28214	0	0	0	3094	4737	2777	2681	7395	9446	15969	0	17134	7823	9424	18864	17005	10752	17004	0	9774	10662	0	6831	2712	5047	14224	5283	7094	11785	8754	10793	26393	65891	33237	33894	24778	23270	0	8464	11255	3015	2566	3093	17046	11908	17752	0	22869	3076	0	15849	14279	Lipid	0.34615386	1.4230769	0.038461536
6	C24 H37 O7 N5	508.27658	508.27704	0.08256155	508.2766	1291	799	0	0	0	1070	0	0	0	0	0	0	0	0	0	902	0	0	0	815	0	0	0	0	0	0	0	73792	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	635	903	816	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55580	0	0	0	0	792	0	0	0	0	0	54150	11591	0	1572	0	0	940	976	384	0	0	0	0	0	0	0	0	0	812	0	Peptide	0.29166666	1.5416666	0.20833333
10	C24 H37 O7 N5	508.27658	508.27744	0.23438847	508.2767	1126	2253	1790	0	0	2960	0	0	0	0	0	0	0	0	0	1626	0	0	0	0	0	0	0	0	0	0	0	57217	0	0	0	0	0	0	0	1294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1642	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	125260	0	0	0	0	0	0	0	0	0	0	162458	35509	0	9189	2374	0	1496	1264	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.5416666	0.20833333
18	C27 H41 O8 N1	508.2905	508.29117	-0.03471355	508.29047	16572	15719	17300	20502	12230	9488	13140	21855	8376	6557	6734	16952	7796	7115	22340	25002	30441	8525	23305	15473	11786	5792	16360	21870	17266	21531	14176	12612	27569	25395	23183	24322	24700	16522	8029	29574	24941	13139	26376	10435	12165	8734	491	0	0	15124	10644	0	28344	23359	17038	11977	15010	0	16018	12103	8527	23592	9524	17643	27620	3000	7553	12031	5666	7736	9399	36290	22937	17635	18100	14735	14985	22773	27201	21753	0	13765	19108	9494	17621	5964	9902	7586	17656	14032	16308	7662	10140	21493	21538	16266	30328	5734	12721	0	19096	17118	9813	12254	16558	25138	10286	17793	5606	14342	12670	0	12955	3547	Lipid	0.2962963	1.5185186	0.037037037
28	C27 H41 O8 N1	508.2905	508.29114	-0.020919908	508.2905	6583	8944	10181	9171	15183	3426	6187	5852	10876	10378	7621	2953	13741	4769	4307	7285	7425	4476	14173	12411	10535	4840	5194	6962	6206	27350	5699	9761	10007	7859	5607	9505	9665	6924	14362	11222	9681	5606	8224	8380	12711	5036	0	0	0	7637	4979	0	8232	5948	8195	8143	11234	0	12591	10167	3250	9808	4807	4171	7432	4153	9161	6669	6555	10982	8251	8243	22320	26969	37829	5257	5593	6527	6066	6469	0	4885	9276	3608	5597	3732	4053	7674	13188	5263	10794	4419	5574	6618	8156	11115	8628	4837	3802	0	7852	8662	6517	13284	15766	13569	3129	7262	3920	6225	10751	0	5640	6836	Lipid	0.2962963	1.5185186	0.037037037
14	C27 H41 O8 N1	508.2905	508.29114	-0.014583699	508.2905	7521	0	5703	7677	0	0	5976	15282	0	6726	0	7866	0	0	8970	13329	7536	0	5253	9171	8994	0	3348	14304	12087	0	9276	0	15636	26622	6732	0	23076	10461	7491	14490	10662	10563	9981	14091	0	4410	0	0	0	5031	0	0	12453	12570	6063	12495	3360	0	7308	0	3909	17349	0	0	0	0	0	0	0	0	0	9591	0	9429	8313	14061	10689	15354	13755	11313	0	6612	0	0	0	0	0	6186	3513	0	4971	0	3324	20388	25240	6117	29904	0	8328	0	4224	6183	0	0	0	18171	6060	4478	0	12738	0	0	3837	6342	Lipid	0.2962963	1.5185186	0.037037037
16	C28 H45 O7 N1	508.32687	508.32742	-0.012692047	508.32687	0	0	1604	2866	0	0	1608	5389	0	0	0	11232	0	0	2909	2105	0	3542	0	0	0	0	0	0	0	0	4005	0	7390	34190	9028	23540	4594	11981	0	40672	3190	0	0	0	0	0	0	0	0	0	0	0	9511	6444	2811	1550	0	0	0	0	0	3226	0	0	0	0	0	0	0	0	0	4642	0	0	0	6434	44449	104603	12633	17261	0	9445	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2814	4740	0	0	0	0	0	0	0	Lipid	0.25	1.6071428	0.035714287
14	C32 H45 O4 N1	508.34213	508.34274	0.10169509	508.3422	49908	51040	45854	56481	0	0	34706	10058	0	0	50752	88996	0	0	1529	12132	0	0	0	0	0	0	15981	0	0	0	300835	0	0	4167	27433	0	0	1270	0	0	0	189386	0	0	0	0	0	0	0	0	0	375	0	5930	45999	45753	0	0	0	0	2080	129121	0	0	82498	0	0	0	4332	0	0	0	0	0	0	154758	3941	1417	1337	3601	0	242666	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44482	49206	0	0	0	0	879477	0	0	0	0	0	3389	0	Lipid	0.125	1.40625	0.03125
12	C32 H45 O4 N1	508.34213	508.34305	0.22701411	508.34225	1921	0	8236	0	0	0	11939	1898927	0	0	9174	1054864	0	0	361485	2294555	0	0	0	0	0	0	32337	15368	5233	0	285515	0	5160	6727	51425	0	0	0	0	2905	0	189690	0	0	0	0	0	0	0	0	0	0	0	1486522	7936	0	0	238	0	0	0	7784	0	0	759336	0	0	0	6337	0	0	0	0	0	0	340076	0	18206	0	0	0	1515921	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12595	29721	0	0	0	0	418308	0	0	0	0	0	1097	0	Lipid	0.125	1.40625	0.03125
18	C29 H49 O6 N1	508.36325	508.36407	-0.07310956	508.36322	0	0	0	0	0	0	0	15565	0	0	0	9572	0	0	5553	3945	0	0	0	0	0	0	1355	3817	2331	0	0	0	24672	30303	12501	9522	0	55497	0	38934	1979	1663	0	0	0	0	0	0	0	0	0	0	6774	22175	0	0	0	0	0	0	0	0	0	0	5568	0	0	0	0	0	0	0	0	0	0	21490	12798	70407	12335	0	0	6370	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2220	1224	0	0	4119	0	0	0	0	Lipid	0.20689656	1.6896552	0.03448276
20	C29 H49 O6 N1	508.36325	508.36365	-0.101861104	508.36322	3120	0	1800	2485	0	0	0	0	0	0	0	1552	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2823	0	0	1725	9480	25420	9308	14518	0	0	7087	2588	0	0	0	0	0	0	0	0	0	0	8181	0	2840	4039	0	0	0	0	0	4170	0	0	0	0	0	0	0	0	0	2133	0	0	0	11090	25412	0	2677	19845	0	3161	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3202	1522	0	0	0	6166	6461	0	0	1546	0	0	0	0	Lipid	0.20689656	1.6896552	0.03448276
26	C26 H53 O8 N1	508.3844	508.3847	-0.13997239	508.3843	0	2257	0	0	0	0	2183	11060	0	4292	7214	0	0	0	0	7714	0	0	0	18312	0	0	0	0	0	0	6718	60108	0	0	0	4291	0	0	0	0	0	0	0	6020	0	0	0	0	0	8291	0	0	6059	0	0	2015	0	0	0	0	0	9555	0	0	5890	0	0	23830	0	0	0	0	0	16605	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15360	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.30769232	2.0384614	0.038461536
18	C21 H16 O15	509.05618	509.05716	0.16489667	509.05627	1872	0	2184	0	8693	4155	0	0	9988	0	0	990	11943	0	0	0	0	6015	4028	0	0	5056	1359	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1092	0	0	0	1396	0	0	0	0	4220	587	0	0	0	1570	1992	0	4479	10402	2858	0	0	0	0	0	22569	7712	3341	9060	1223	0	0	0	0	0	0	0	0	0	0	0	1649	2653	1147	2744	0	0	11034	2145	1521	1068	0	0	0	0	0	6774	0	0	1648	0	5963	16535	8225	0	0	0	1906	0	4023	0	0	15403	Phytochemical	0.71428573	0.7619048	0.0
12	C22 H20 O14	509.0926	509.09344	0.118177235	509.09265	16529	17819	13688	18051	35018	11202	0	3068	41967	13047	20423	6436	52443	8664	4240	3322	2523	30376	32187	9715	20122	51677	11799	4198	1446	0	2410	0	1835	1373	1886	2704	4276	3055	26955	2316	6247	5524	4528	5286	18229	6991	0	0	0	19735	54285	0	2503	4524	19265	19251	20574	0	36164	37502	13547	3977	0	0	0	8156	79994	26297	11550	48584	12019	5917	0	0	4879	1201	1287	1501	4260	0	0	4031	17375	0	13126	24337	1361	0	50414	11868	11264	11244	10524	5796	3458	2713	4041	54956	21643	0	14442	18221	41965	49729	44199	4791	4990	0	36986	3755	32579	0	3256	53591	Phytochemical	0.6363636	0.90909094	0.0
14	C22 H20 O14	509.0926	509.09344	0.14699404	509.09265	29725	28260	24171	26309	53890	24504	6749	2318	72980	32238	29854	7607	98998	15891	8071	6750	4304	38221	48258	13914	30730	65995	17869	8648	3178	0	2907	0	2007	3823	3730	0	10952	1739	37076	1556	8499	12952	7276	10481	25625	13569	0	0	0	37777	92988	0	3273	4918	28594	23318	30202	0	62626	55751	23822	8573	7212	6606	0	16809	107787	55517	21266	54527	14249	5236	0	0	4247	2869	3828	0	4326	3674	0	9024	26070	36034	17595	48247	0	1235	64854	20160	18759	12731	14131	9288	3164	6904	8503	87458	33226	0	30608	20012	47739	72595	63659	3307	7226	4536	68177	8647	47669	0	2119	79983	Phytochemical	0.6363636	0.90909094	0.0
16	C22 H20 O14	509.0926	509.09335	0.10306214	509.09262	70336	50212	46700	50898	118512	54822	7322	8268	133716	35024	36026	15588	241190	35228	33642	5016	6174	133336	127004	32326	53272	158193	41682	10570	7715	5940	7120	8414	3708	0	5402	0	17564	5192	90511	4714	11410	20006	9296	26072	44354	30860	1308	0	0	74338	153074	0	0	4704	54606	53566	68894	0	120612	120540	41888	11112	14972	9120	0	50502	263823	121046	40522	129144	46238	7596	7992	7612	6920	5308	5442	4110	7860	8006	0	9896	55874	78824	39762	125090	2964	9750	134052	49660	31388	34734	36470	0	6626	19840	0	138382	99067	0	59810	55486	99320	128184	140920	11646	17368	9966	110304	0	90510	0	10654	209156	Phytochemical	0.6363636	0.90909094	0.0
10	C22 H20 O14	509.0926	509.0934	0.055914775	509.09262	5616	5552	6857	9118	15598	5458	940	1886	22202	8353	8386	3484	23815	2690	1872	1668	0	8348	14658	2468	9762	11355	5956	0	0	0	0	0	0	0	1124	0	1597	1426	14730	0	1905	2889	1504	3876	7353	3833	0	0	0	4549	25309	0	0	1457	6263	6405	9112	0	12833	21118	5286	1161	2192	5072	0	2626	34600	16539	6653	19677	5486	3006	0	0	4167	1191	0	0	2511	0	0	2382	7458	6568	6541	8347	0	0	24798	6970	4657	5820	5458	1608	0	0	0	21649	8206	0	7524	6056	19402	31319	27246	2068	1875	0	0	0	18525	0	0	27704	Phytochemical	0.6363636	0.90909094	0.0
12	C21 H20 O13 N2	509.10382	509.10464	0.22160828	509.10394	2769	1975	1515	0	5507	1149	0	0	9365	2331	0	2450	15779	1251	1835	0	2479	6358	5743	3043	4382	20696	2263	0	0	0	0	0	0	0	0	0	0	0	4836	0	1458	1978	0	3765	15174	1411	0	0	0	9681	38707	0	1702	0	4374	3189	4102	0	10994	7569	3525	0	0	0	0	6326	25531	7837	1858	7204	3133	0	0	0	0	0	0	0	0	0	0	2105	1149	0	1740	13254	0	0	7358	2215	2664	2649	2960	5706	0	1932	2561	18728	5294	0	0	2268	6429	7915	11710	3071	0	0	0	0	5679	0	0	18252	Phytochemical	0.61904764	0.95238096	0.0952381
14	C21 H20 O13 N2	509.10382	509.1048	0.19565366	509.1039	15596	14258	10900	14185	26045	4232	0	0	29014	36342	23262	2968	40680	5322	4204	0	5162	19637	25116	16971	35886	54476	12852	0	0	18021	0	0	0	0	0	0	5062	3436	57721	0	0	0	13063	7360	35004	5542	0	0	0	35223	100052	0	0	0	7830	9032	10347	0	29487	21129	13013	0	0	0	0	14654	48801	33011	5402	33985	10499	5302	0	17715	43825	0	0	0	3614	0	0	963	12462	0	8559	38619	0	4431	28493	4912	11172	10262	4380	0	9495	0	5128	39308	34206	0	16506	5080	21358	27523	37087	5330	5422	0	46566	0	10444	0	2232	43329	Phytochemical	0.61904764	0.95238096	0.0952381
16	C21 H20 O13 N2	509.10382	509.1047	0.19401245	509.1039	2141	5549	3078	4053	5300	2201	0	0	6062	3691	2604	1399	14178	0	0	2075	0	4473	7073	0	8621	10957	3630	1798	1369	0	0	0	1449	0	0	0	1759	0	3833	0	2950	0	2472	2869	8903	1878	0	0	0	9657	33677	0	0	1032	3040	4295	2437	0	7368	5420	2450	0	0	4179	0	4019	19162	11783	1777	6122	1350	1409	0	0	0	0	0	0	0	0	0	1147	3996	7044	2515	15749	0	0	8089	2123	1938	2342	2752	0	0	0	0	14831	9155	0	6639	1766	2989	5875	7035	0	2280	0	16814	0	3465	0	1415	14749	Phytochemical	0.61904764	0.95238096	0.0952381
10	C23 H24 O13	509.12897	509.12982	0.12555417	509.12903	28770	23919	23064	26275	25938	12495	7203	14840	32741	57132	38445	14732	33509	11660	11251	18330	14608	27686	25064	30988	40326	39573	16643	18816	5423	7213	10984	13369	10452	9852	12014	14830	13288	7637	67951	11923	18470	13764	15186	21512	40177	10099	0	0	0	36815	170832	0	14151	11948	22839	28146	15098	0	28670	24273	11898	17379	13868	19980	15590	16178	40963	29253	13461	26839	18423	19549	17120	15099	24359	15027	10037	9232	11621	12480	0	8304	30079	20276	23115	35980	7326	9373	35311	14041	19420	13487	13179	16396	4292	10454	16773	51105	47238	0	28999	20640	31809	33984	28588	14201	13098	13595	48010	13060	22727	0	8796	36699	Phytochemical	0.5652174	1.0434783	0.0
14	C23 H24 O13	509.12897	509.12976	0.0747205	509.129	105239	108764	107988	94882	95962	68191	39434	54694	127961	210093	117582	42844	144058	43627	60040	40445	41922	128773	104296	140965	154914	219159	70485	58295	32695	31852	36655	62028	40790	47920	45063	53052	75709	42677	281299	40535	56485	54445	35751	112030	119108	40395	0	0	0	460422	335751	0	52295	46339	105587	94912	68484	0	134754	87352	48833	62641	73205	40633	62349	93648	354524	117143	43314	108931	57573	35393	54128	59340	67496	43150	46205	42919	33272	44059	0	50423	75685	142670	69340	413040	32459	54218	105281	52223	64834	47145	51743	48155	36334	71796	61566	198036	183957	0	111672	85854	103156	84479	93388	60369	44390	64130	299571	48462	84820	0	36986	149551	Phytochemical	0.5652174	1.0434783	0.0
12	C23 H24 O13	509.12897	509.1298	0.088923566	509.129	73406	66585	68711	66549	55404	39531	32863	31906	74266	124021	91369	30933	78318	20992	29603	35856	32728	73892	71964	93453	92173	136373	38386	42664	13604	17211	23544	34870	27402	29675	27346	28916	41128	28747	167042	26021	36389	38068	27471	66902	104293	28159	924	0	0	134568	444568	0	34899	35320	67608	74349	43092	0	72367	50404	29468	36875	33511	40549	33974	57334	208986	58675	26428	64141	28718	34706	32914	39447	55858	26432	28896	25553	23852	23633	0	30474	53579	102690	40423	205960	23650	28162	62916	33353	46996	24555	31517	35146	20033	36685	36784	117557	108272	0	65614	67139	75772	60401	52089	40952	24657	33835	146929	30729	53592	0	21375	177804	Phytochemical	0.5652174	1.0434783	0.0
12	C22 H24 O12 N2	509.1402	509.141	0.04122646	509.14023	38155	37430	41984	43887	29808	18407	21089	44511	35366	60747	34903	26563	47929	10751	23733	27576	34332	40710	48964	51331	72425	91044	35027	32058	15433	5576	17696	9688	28188	25968	27114	27665	37687	23700	81936	27010	33319	26758	38207	63612	87626	23376	0	0	0	91664	144607	0	30197	28784	41103	45169	24762	0	60388	25068	19641	32364	39092	32871	43730	61402	62024	46897	15846	36921	23979	35327	0	16853	16662	32826	29132	31272	25292	26075	0	24848	27834	47964	25505	69951	19461	21431	34695	21354	26859	21802	22981	50262	14054	30438	43944	85999	53639	0	43429	45696	31227	27514	27481	39130	23495	31592	127693	34796	23435	0	21370	67947	Phytochemical	0.54545456	1.0909091	0.09090909
8	C22 H24 O12 N2	509.1402	509.1411	0.09892637	509.14026	13192	16214	13291	13505	13205	4744	5795	11385	16022	19730	16194	10295	23806	2464	7259	9100	13844	12428	16603	18792	28751	32007	11178	13786	2383	917	6664	1846	9695	10253	9182	10714	12985	8888	28436	7323	11544	8556	15668	18999	36610	7902	0	0	0	25125	64036	0	10544	11942	19524	13955	8462	0	20054	13647	7863	9751	7837	17010	13010	13615	28375	19918	8721	17103	8690	14732	3904	3417	7583	9060	11556	6449	8385	8217	0	6864	11814	14223	8627	15688	5763	4361	17121	6274	11596	12120	10718	17870	0	9979	21304	29568	22038	0	20152	20355	12571	19160	15942	12228	9407	12177	26346	12336	11399	0	5224	26169	Phytochemical	0.54545456	1.0909091	0.09090909
14	C22 H24 O12 N2	509.1402	509.141	0.07668442	509.14023	36742	41849	34877	44792	25147	20529	19938	32677	35995	49698	28500	27758	56200	16395	30272	29368	25622	41072	46824	50537	63884	117340	29749	40302	18868	4629	20089	0	29014	19949	29122	22685	36958	22400	82131	27236	37384	24903	27364	44813	58946	17819	0	0	0	93651	139079	0	31570	29314	39835	35757	22847	0	54960	24760	14772	29940	39910	15856	48135	53187	64957	40348	15658	40056	27013	25528	0	10801	17044	24003	29341	27862	18100	25999	0	26783	23862	41119	22750	73715	20302	21013	33437	20462	27421	24734	24246	40733	21163	40068	48431	70026	56018	0	37159	39010	22604	28558	24006	40286	18077	33981	100345	33557	23565	0	20197	56812	Phytochemical	0.54545456	1.0909091	0.09090909
10	C22 H24 O12 N2	509.1402	509.14102	0.06597215	509.14023	35732	31085	33259	32905	16573	13009	15153	18536	31497	38625	32816	20495	44666	7492	14340	25743	26395	27459	35255	33557	55426	66491	24331	26384	7190	6503	15735	6799	16302	14300	18694	26964	29124	21394	62294	18528	27806	17810	27547	45963	57969	16546	0	0	0	59179	114859	0	20172	21308	29214	33107	18145	0	34808	21005	13268	23538	18710	24234	22272	35333	44465	29099	11711	32433	19020	33113	12890	6059	15578	19297	20042	20864	19465	22407	0	19890	25741	36533	17329	42663	12200	13137	27265	15606	21006	17495	17734	33259	12903	20607	36376	49287	48414	0	31832	36050	21131	28546	24755	28357	20895	26831	60774	23951	17737	0	13365	50331	Phytochemical	0.54545456	1.0909091	0.09090909
18	C22 H24 O12 N2	509.1402	509.14102	0.19920021	509.1403	11488	8966	14555	13856	9226	10249	6081	9275	11274	17201	10545	8891	18218	5360	8835	5657	6907	18011	19617	18424	17029	31735	7558	11327	6213	1913	4628	3416	7975	7195	8589	5092	13337	10814	23980	6344	11603	11546	6744	26309	10457	7483	0	0	0	44100	35662	0	9736	7636	13007	12017	7589	0	25521	11475	8497	11013	9371	4975	17510	19432	24162	14346	4997	11172	8503	7650	3258	5471	4449	9087	4936	9878	4813	0	0	8073	12740	16219	7886	38395	5020	6490	10380	6537	11874	8493	6805	6666	5489	11579	17038	21787	27499	0	12962	12404	10299	7878	6563	7253	6779	9650	32170	11081	9590	0	9950	29123	Phytochemical	0.54545456	1.0909091	0.09090909
16	C22 H24 O12 N2	509.1402	509.14096	0.0840758	509.14023	23913	20528	28139	28884	20156	17227	12286	20800	35615	35600	16723	14551	47902	8008	25184	20540	16180	32221	29043	37834	34735	62919	21917	21033	15695	2771	10333	6490	22403	18007	22814	22218	22292	15595	50014	17605	30408	17347	12700	38758	37255	16152	517	0	0	66227	77056	0	21637	16654	28415	24628	18672	0	41434	22064	11625	22896	25305	14047	21427	32988	45478	32142	13136	27900	19950	9967	4666	8145	9335	17301	18611	15257	11761	14210	0	18672	18181	33589	19276	54511	12468	18313	22093	17470	19079	13338	17071	0	8899	29519	35322	45920	44426	0	28723	25604	13472	19752	13711	22979	16301	21693	68240	23854	16968	0	15087	49771	Phytochemical	0.54545456	1.0909091	0.09090909
24	C27 H24 O10	509.14423	509.14487	0.09644432	509.1443	19135	17813	15832	13587	22490	10190	2615	1873	22207	57179	37634	3397	29195	10594	3809	4246	0	20583	21802	30338	38158	29955	4893	4904	1405	58021	3540	23020	0	1167	3836	2520	3915	1382	74568	0	3420	4150	1750	21143	22164	3084	4331	0	0	21554	22841	0	3724	1432	17705	14311	12821	0	18484	19362	6511	4447	5771	1635	3878	15867	34766	21811	5664	26281	7808	3362	56358	72874	97950	2485	1056	0	2085	0	0	1985	13377	19578	12335	17575	4046	19265	31048	12568	8400	6540	7495	2020	4032	4846	3838	27400	32874	0	16318	11320	20098	22671	21319	0	1973	3752	16307	3015	16579	0	4186	24662	Phytochemical	0.37037036	0.8888889	0.0
26	C27 H24 O10	509.14423	509.1449	-0.010276194	509.14423	7577	6401	6414	6397	13633	6359	0	0	9510	29351	15855	0	13048	5069	0	0	0	9982	14909	20679	15876	15659	5692	0	0	29710	0	11455	0	0	0	0	0	0	35591	0	0	0	0	12882	11618	0	0	0	0	10550	12249	0	0	0	7370	11759	8107	0	12714	10294	5369	2775	0	0	0	7689	20602	11590	3399	12749	7126	0	32696	34645	47823	0	0	0	0	0	0	0	8345	11821	6188	8321	0	12173	20407	6618	4672	2846	3061	3105	2845	2808	0	16555	25765	0	8654	7810	10842	16296	10432	0	0	0	0	1772	7296	0	0	14926	Phytochemical	0.37037036	0.8888889	0.0
22	C27 H24 O10	509.14423	509.14487	0.022023229	509.14423	28819	25429	28180	26918	35509	14763	4725	3864	32186	89080	74514	5196	32789	20601	6918	5513	4126	32270	36583	65591	65978	43623	12130	6282	5713	104227	5673	52224	4957	2628	5058	0	6455	4205	133708	2140	8045	9815	4241	40153	42022	7064	0	0	0	42371	40693	0	3275	4927	25522	22026	17732	237	31036	30974	12539	6904	8935	3911	7104	31374	45725	24928	11267	31751	14991	5176	87486	124313	131975	3364	0	1287	1358	1545	0	5186	19838	31939	14280	28075	6744	28014	39729	20362	21135	11035	11554	6982	14337	17627	7467	59248	65613	0	30242	24067	33529	32375	30928	6997	7046	7349	29529	8394	29698	0	6116	40452	Phytochemical	0.37037036	0.8888889	0.0
16	C27 H24 O10	509.14423	509.14493	-0.08765401	509.14417	11081	11275	8094	9895	12222	6017	1681	0	10366	39586	23769	2336	11285	6629	2897	4462	2547	6106	11437	28554	19001	11727	3826	3581	2459	39472	2309	12573	3210	2224	3256	0	2254	1858	48163	2886	0	2609	0	11648	11588	3243	0	0	0	10364	13694	0	2713	2938	6904	7750	7595	0	5228	8244	4959	4029	1595	2010	0	8202	14313	6597	3923	6845	6975	3406	30265	38168	47792	0	0	1723	2148	2349	0	2687	6585	9668	4888	10005	0	11617	11764	4762	5640	3774	3433	0	6249	4256	0	13966	16801	0	9666	7039	9601	10777	8867	3172	3120	3202	0	0	8387	0	4349	11651	Phytochemical	0.37037036	0.8888889	0.0
18	C27 H24 O10	509.14423	509.14493	-0.007053731	509.14423	20331	19746	22467	19289	16778	9916	6995	6115	26214	86336	49016	3492	27043	18612	4756	10427	3470	17928	26688	54927	44393	30856	8702	3790	5475	83716	4061	38474	0	0	3552	0	8056	0	98510	3630	5070	6863	5657	35519	32667	5998	0	0	0	26947	24173	0	5062	4253	17403	17791	13823	0	18870	16819	8823	6374	8137	3706	5877	18398	33073	15829	9275	23641	10711	7018	59246	80709	97116	3172	1233	2452	3362	0	0	4635	18400	23203	13522	22684	5345	23433	25377	12893	11419	7514	10641	7012	13631	10546	7389	30837	38644	0	22027	16840	29123	23715	23238	5540	5721	6852	17064	6300	16471	0	6056	26601	Phytochemical	0.37037036	0.8888889	0.0
28	C27 H24 O10	509.14423	509.14478	-0.051108945	509.1442	3164	4777	3269	3608	6160	2871	972	0	6324	11106	6526	0	8187	3887	0	0	0	8467	9749	6756	7379	8169	2787	0	0	14509	0	4916	0	0	0	0	801	0	14887	0	0	2061	0	5031	5557	0	0	0	0	4116	6179	0	0	0	3985	3406	4108	0	9533	4407	2510	0	0	0	0	2373	10031	6065	1890	6914	2664	1199	18291	17303	27215	0	0	0	0	0	0	0	3408	6206	3711	1989	0	4277	8936	4473	5720	0	1209	1892	1625	2800	0	8114	11082	0	4204	4626	7063	7361	6918	0	0	0	0	0	4948	0	2010	9172	Phytochemical	0.37037036	0.8888889	0.0
0	C24 H28 O10 S1	509.14758	509.14856	0.15845402	509.14767	3959	4067	2776	3710	0	22885	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4061	0	0	0	0	0	0	0	0	2402	2484	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3936	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.41666666	1.1666666	0.0
22	C24 H28 O10 S1	509.14758	509.14865	0.3588536	509.14777	19772	10267	21040	6582	4469	14380	2078	3362	7283	70184	10444	1995	13745	0	4096	4515	0	16782	9723	26180	34632	42678	5076	3697	11646	23230	2621	21954	3112	1292	3555	0	5110	0	56144	2516	0	2434	3571	16641	25848	3271	0	0	433	40350	42922	0	0	3048	11982	20032	5077	0	11857	4870	3664	5679	9377	3182	3719	36418	9152	18612	2927	15642	5217	3750	20926	25452	13643	3860	1793	1714	2005	2996	0	2379	6501	18556	2903	12161	6777	29688	11950	3472	4810	8578	10236	2863	20832	41280	18614	16160	58798	0	18396	11798	6200	4663	3702	3933	2113	8358	15532	4465	8971	0	2644	16704	Organosulfur	0.41666666	1.1666666	0.0
10	C21 H24 O11 N4	509.15143	509.15216	-0.04672898	509.1514	6793	7624	5750	7923	4955	4696	0	4461	3744	23546	6620	4063	8385	0	2972	2537	4472	7494	8706	5327	27562	14901	5749	12375	3301	1616	1907	2870	6373	4112	1738	2036	7927	5462	11813	3788	8573	5205	5999	8529	18560	3206	0	0	0	5024	27188	0	5577	5379	6649	4115	4755	0	3992	4036	2166	3255	0	6307	0	8263	9667	6045	4235	5539	3976	6714	0	4973	3056	2301	3518	3828	2702	3690	0	3647	2695	0	3920	4730	1980	1390	6015	3873	3177	2526	4173	9040	0	3205	11503	8342	16222	0	6125	5985	3436	8984	2818	6252	4371	0	0	6056	3851	0	1791	9042	Peptide	0.52380955	1.1428572	0.1904762
16	C24 H28 O12	509.16534	509.1661	0.07106704	509.16537	254878	232040	232408	231101	173729	152466	123392	227049	225712	1267778	236186	123053	258580	93821	187108	181763	102425	269185	280672	988546	414179	712908	196205	217721	153383	202663	100238	176364	185697	185373	404128	203180	216606	160482	1495740	194306	227965	166127	112953	698540	220954	107036	4878	732	519	1004746	805756	0	206866	180884	238742	243224	161118	507	285806	146832	103279	195191	411558	110256	208590	445992	573960	189932	84314	209598	145204	114421	184345	339389	248629	450270	193877	206271	112451	183476	564	160207	194915	177382	153760	802262	151670	226690	179895	122216	163314	106542	121741	126614	180513	202840	275149	491932	671694	1603	250277	248214	183913	134935	143550	189930	131134	220449	347537	213371	159076	0	144749	615460	Phytochemical	0.5	1.1666666	0.0
26	C24 H28 O12	509.16534	509.166	0.21936941	509.16547	9828	4872	7083	5429	7135	6909	0	0	8579	23370	0	0	14670	2858	0	6098	0	15054	6774	15818	19293	11440	0	5402	0	0	1987	4211	0	0	5216	0	3438	2574	18109	0	5576	2578	0	10784	6692	0	0	0	0	16094	14930	0	4388	0	6124	6866	4117	0	9675	0	4137	4279	4027	0	0	5846	15630	8906	0	7757	4255	0	0	14256	9165	6172	0	0	0	0	0	2849	4387	0	4956	14914	3451	7354	6199	0	5001	0	0	2416	6421	7828	0	6483	9859	0	7704	8729	6633	4602	6608	0	0	6068	12212	4443	0	0	0	11599	Phytochemical	0.5	1.1666666	0.0
18	C24 H28 O12	509.16534	509.16608	0.0812959	509.1654	250920	238679	233852	205025	188241	159094	109500	203851	219739	573784	201842	102749	292674	94821	177869	140296	84573	304978	281772	465556	369799	336769	171724	182850	149706	166607	99770	154991	183957	142512	193766	191108	204438	190069	620143	165518	200194	152863	91668	718592	191103	96552	5331	626	435	1032624	316603	530	178707	158649	236528	222716	148838	757	319990	148217	106448	174444	186128	74944	163993	241752	306041	217440	84307	203081	158833	106814	164464	322072	228934	198602	173541	169594	82331	189308	357	143411	174829	132611	149345	354736	122943	202795	184453	124297	142640	94231	137016	85053	184763	225794	215899	202120	304202	1457	235053	203143	182768	119419	117252	161807	111990	194558	307319	153793	137036	407	116908	288674	Phytochemical	0.5	1.1666666	0.0
16	C23 H28 O11 N2	509.17657	509.17728	0.014245179	509.1766	51981	64426	60954	63093	29291	37593	42916	85634	46409	91508	35774	40507	65663	18187	69416	57876	32436	66901	72620	104619	72568	99492	56307	80714	63980	10749	32224	28800	73758	61357	71950	69593	82933	52384	107794	69418	93838	49554	38981	90928	45541	31664	707	0	0	94366	52477	0	74167	54471	68169	63129	37766	0	66563	26920	28390	76407	83958	30969	81746	57686	65833	51911	23355	45787	37986	30226	10477	31594	17018	76215	58646	65629	35402	51731	0	48325	49991	43605	39567	60177	56383	46533	30094	30640	38880	34551	46494	50794	64887	97669	144435	41741	75869	0	63724	69398	23604	27290	22853	71063	41179	72606	54655	86463	29389	0	46655	78485	Phytochemical	0.47826087	1.2173913	0.08695652
14	C23 H28 O11 N2	509.17657	509.17734	0.01129627	509.1766	91699	88883	77408	86444	45401	47944	68010	100735	56520	135969	62126	45800	76666	24970	80481	84272	52697	74770	73118	117239	109693	175522	72866	98926	76398	18200	51206	50751	95224	82736	88371	107543	115226	75671	204624	84791	99840	67995	57350	142926	65619	47143	0	0	0	139125	107459	0	83487	74943	82538	81762	49286	233	82955	39688	32884	92998	155246	40727	93370	99819	83113	63848	27006	52714	51401	53978	22035	56847	31095	90999	76242	84660	43696	73597	0	67672	63708	67027	52820	74082	67385	62880	44779	37175	62209	44350	58250	69278	85988	109890	138984	80663	101327	0	76809	83127	35282	35025	36506	93951	56236	107801	90373	87510	33071	0	59860	80841	Phytochemical	0.47826087	1.2173913	0.08695652
8	C23 H28 O11 N2	509.17657	509.17743	0.027366214	509.1766	32641	30916	24904	35879	18034	13397	15088	29789	19584	53624	25405	18126	34593	7043	19409	25913	21241	15116	31685	35992	46078	56845	22011	30306	12129	4408	16893	13619	26448	22498	22157	27562	30731	22761	64489	23800	30805	17602	26930	42412	37493	15245	0	0	0	46636	55328	0	24798	24926	30147	35904	16683	0	30849	24484	11176	23247	21902	27473	36554	27450	38274	29020	11715	26278	17747	26995	10008	11200	16155	24979	25635	21993	17820	22249	0	15271	23582	24965	18385	24925	19957	16958	30918	12907	20205	13720	16025	40674	14714	32803	45117	33854	45761	0	27610	30112	18083	35263	50379	26020	17182	35716	23339	24543	26477	0	16966	30794	Phytochemical	0.47826087	1.2173913	0.08695652
18	C23 H28 O11 N2	509.17657	509.17728	0.05942001	509.1766	36027	33173	32048	28948	19492	22817	23006	36339	21970	43555	16172	18837	34641	8559	31366	31846	14534	24460	41352	48893	39059	59135	25003	33002	33205	5242	12537	9786	36387	23728	34032	30220	46633	31402	55321	35208	50750	27718	19881	46908	16715	17276	484	0	0	52232	25117	0	30454	30451	32737	31675	14281	0	32822	18237	13161	46885	38800	9309	30467	26221	27929	26994	8944	23346	22489	15536	6762	21134	12337	33145	24673	36515	14894	27789	0	17043	21945	10774	21362	28095	20554	28428	12458	17623	25438	20916	17070	22583	35564	60292	68267	22109	30807	0	29569	31832	13230	12314	15721	30857	15706	35745	25225	34873	11578	0	23470	35390	Phytochemical	0.47826087	1.2173913	0.08695652
6	C23 H28 O11 N2	509.17657	509.17752	0.07340568	509.17664	10813	13175	10224	12866	10550	5731	6321	10878	12044	19174	9104	6093	19747	2526	7457	13270	9966	9874	11482	14695	21237	22381	10969	12736	3317	1591	6750	2049	7842	9138	10541	10303	14873	9093	25844	9981	13861	6616	18357	14537	17750	7044	0	0	0	15357	24022	0	14797	8195	12066	16166	9238	0	12925	12892	4863	9388	9357	11306	10564	7668	17067	10203	4851	14133	7647	15086	2965	4011	5757	10400	8186	10476	6673	7272	0	4713	10109	8072	6872	8360	4945	3881	14533	3682	8770	6177	6097	20068	6769	12606	15061	13711	13889	0	12816	13885	8187	45132	37450	14739	6517	14334	9626	11524	20086	0	3524	15705	Phytochemical	0.47826087	1.2173913	0.08695652
10	C23 H28 O11 N2	509.17657	509.1774	0.019625748	509.1766	61429	56030	52135	47755	26756	26011	34281	59403	32446	92278	43474	38911	45188	11015	39818	53795	33872	44161	51948	78564	75313	104809	43100	62990	25797	11690	27424	26746	49761	49339	49970	54743	62980	41357	113026	51256	55726	34859	50862	87161	68901	24063	0	0	0	82307	75901	0	60055	50021	61696	57413	27367	0	53058	28324	19566	52404	60141	45297	67634	53842	48038	38900	19919	37430	31768	49983	15157	23756	26809	53506	44808	50723	34621	46556	0	34945	41343	35842	36937	46534	37981	37175	34361	20215	38906	25238	31758	58378	49462	61933	90574	58281	64339	0	54963	53823	21902	29188	29320	54630	34249	63446	84997	54104	22915	0	35206	45370	Phytochemical	0.47826087	1.2173913	0.08695652
12	C23 H28 O11 N2	509.17657	509.17737	0.019890452	509.1766	82374	76398	70544	83509	34604	31348	56831	103981	47715	118368	51325	45698	59391	17716	65616	62433	67738	62433	76085	119290	106947	139299	80307	96559	53386	19389	39551	39387	78345	64324	81189	76009	95844	60458	166735	64868	80932	65391	68405	121351	105753	40895	433	0	0	121957	96082	0	81094	82603	81526	67248	41434	0	77316	33073	29462	90930	103629	56583	70696	91508	66804	56823	22757	55226	43326	61628	18461	44470	41327	80023	70673	74005	41435	64738	0	55380	60886	45392	53496	68776	55209	53494	41080	29478	48661	30863	44641	91788	60519	108671	122966	77554	75383	0	77020	90187	40867	33050	34260	83711	53474	83866	101050	74253	34390	0	47053	72132	Phytochemical	0.47826087	1.2173913	0.08695652
22	C28 H28 O9	509.1806	509.18127	0.02890346	509.18063	60541	51694	50428	49560	69797	31291	19043	23659	74187	137179	125213	12983	59961	41723	20911	23659	16077	55087	56110	122833	120093	60804	28192	26539	24113	232656	12758	105163	18285	12732	16784	16951	24183	12087	177629	15380	29448	22035	14962	86509	81970	18988	0	0	0	61278	58033	0	17129	18584	42835	47983	41188	355	58078	53281	29369	19407	22830	17471	22507	61348	67132	50963	24331	58679	30764	15437	197223	261904	288742	13361	12723	9610	12229	15043	0	10702	46561	41421	33883	47224	20199	66957	77354	37695	35804	27300	26994	26124	30626	29694	27864	44709	65203	0	49589	45203	56198	64710	56713	22992	13007	24912	43344	25733	56920	0	22106	59002	Phytochemical	0.32142857	1.0	0.0
26	C28 H28 O9	509.1806	509.18118	-0.036245033	509.1806	13788	16247	11081	13222	20304	6084	0	0	20944	35337	29222	0	33991	12396	0	10127	0	13504	18019	39860	35277	16742	8135	5494	0	73468	3151	28953	0	0	4835	0	3638	3230	42124	0	4175	3516	4450	24058	27590	0	0	0	0	18519	21431	0	3671	0	13558	13791	11839	0	20800	19466	7104	4656	4220	0	7043	18413	26262	18630	6647	21195	10566	4573	74665	74290	99047	0	0	0	0	2918	0	3281	15321	10274	12137	12728	4058	22436	28583	10434	9027	5102	7315	0	4844	5390	7163	21487	19890	0	14545	15711	17875	27929	30008	0	0	0	12657	6414	17303	0	5748	21483	Phytochemical	0.32142857	1.0	0.0
28	C28 H28 O9	509.1806	509.18118	0.013001923	509.1806	6845	7184	5250	4796	7218	1829	1937	2834	8999	15153	12912	0	10648	5289	0	2490	0	5534	9014	9866	13704	6424	0	2657	3199	29452	1674	10954	2587	0	1281	1089	1716	1442	15711	0	2658	1477	1414	7242	10940	0	0	0	0	5709	6374	0	1576	0	4931	5514	4861	0	8158	6799	2461	3124	1308	1648	2543	4980	10374	5531	3457	8751	5978	2431	27896	28504	50848	0	1381	0	0	0	0	1381	5183	6382	3832	3483	1569	7021	10153	3697	4994	4132	1633	2047	2042	2011	2690	10053	10615	0	4038	4335	5567	11809	13734	0	0	0	3191	1724	8772	0	2842	6795	Phytochemical	0.32142857	1.0	0.0
18	C28 H28 O9	509.1806	509.1813	0.041960638	509.18063	25420	26461	24954	29293	23712	9938	11843	14678	22965	53683	47354	9514	24342	14397	14285	20064	11148	20587	22006	61818	60525	20183	18509	18791	8714	107310	13336	44878	12459	10351	9929	17916	11114	10576	69654	10886	15822	12981	16519	35734	45451	8197	720	0	0	26538	23540	0	11472	11235	25285	26046	16878	0	23565	24198	12053	18560	11846	11496	14045	26552	35296	15573	10787	23847	13528	12944	80489	113356	149488	11473	7984	9213	9015	9042	0	11917	23948	21552	17176	28026	15874	30263	30829	19414	22599	11208	17499	22945	21523	13489	18609	22092	30638	0	32105	23498	28071	24946	27910	16927	9823	16896	18120	9878	27523	0	16354	25579	Phytochemical	0.32142857	1.0	0.0
24	C25 H32 O9 S1	509.184	509.18472	0.37415248	509.18417	105005	114893	89565	98781	87779	67279	18597	59932	128374	230938	142978	20744	127951	52902	62210	67191	22763	92570	101241	263541	169777	186158	66438	76924	74595	222627	14665	142222	29946	19512	27525	51065	74884	31519	270655	48712	74815	38140	24554	193441	99858	31664	0	0	0	172318	122687	0	66615	23345	115482	70052	56074	0	84016	69505	52800	86661	95947	32682	42136	157572	104668	96370	30626	128002	68296	28122	186741	283768	263940	29994	29386	14341	23213	25992	0	25851	87346	58882	53841	118040	75562	116857	98106	40883	76752	48580	66169	32412	175408	123837	108957	103575	192276	0	128049	139444	74869	64833	54055	58382	22500	107391	96245	78618	69777	0	33586	113491	Organosulfur	0.36	1.28	0.0
8	C22 H28 O10 N4	509.1878	509.18875	0.109311044	509.18787	8694	5928	6371	8866	2716	3445	4749	7993	3640	4832	1577	5139	3611	0	7455	9866	7305	5051	5329	6715	4950	11991	5905	11016	4949	409	4043	0	6547	8044	5562	8524	8451	7251	5453	5868	9500	5404	9716	6266	4332	5076	0	0	0	5703	5603	0	7937	7052	5892	8173	3549	0	4853	1548	2298	10370	9242	4990	11222	5697	3763	4684	1786	3690	3773	10499	0	0	0	8652	6457	5092	5891	4241	0	4756	8577	6949	5930	3335	4569	1591	2708	0	6145	3377	4713	14968	10985	12032	21142	4472	5173	0	9054	7906	1831	3191	0	10274	4200	11437	0	10297	0	0	6408	5296	Peptide	0.45454547	1.2727273	0.18181819
10	C22 H28 O10 N4	509.1878	509.18857	0.13709226	509.1879	10516	7908	8301	6280	1913	2803	6202	8329	3476	4715	1868	4941	3992	0	5657	10316	6910	4695	5613	0	3416	10751	5451	10009	9388	0	4355	0	7793	8697	6225	6495	10098	8145	7334	10559	9742	7515	8893	5507	5774	4041	0	0	0	6805	0	0	9935	8812	6951	6673	3907	0	8251	2307	2186	6898	5702	3360	10356	4686	5388	5408	3706	4012	5473	8801	0	2819	0	8077	7217	8645	6042	5729	0	5018	5663	0	6082	4202	6229	0	3252	2687	8065	5099	3912	15425	8753	12542	22685	1865	5966	0	8205	6417	0	3094	3534	6241	6027	7951	0	10004	1399	0	8655	5796	Peptide	0.45454547	1.2727273	0.18181819
16	C25 H32 O11	509.20175	509.20245	0.021950299	509.20175	262978	496318	247532	535072	146422	134530	310566	524904	196845	983198	256891	162059	203318	84585	453202	238903	156155	205280	234716	913626	399011	506568	429800	501824	350148	240171	149457	196961	475438	439658	492706	260675	554750	401204	1056720	516014	501750	371282	188746	295269	234629	118718	4336	733	0	526922	230371	404	559916	492744	530492	256517	146350	604	234060	137052	117016	500868	445412	157798	274657	388890	232020	186407	94634	181000	139740	177063	196563	384222	296732	490950	501628	546632	175567	486502	0	369684	232644	155399	195931	209424	408014	220515	168800	113966	208087	113497	144814	254528	205577	485474	313298	159313	457074	1360	514122	257663	147944	143567	147008	443210	148251	502806	179092	260849	145934	636	367022	217669	Phytochemical	0.44	1.28	0.0
20	C25 H32 O11	509.20175	509.2024	0.038249303	509.20175	326622	323661	328187	286442	238793	233551	161107	355124	350902	852628	267176	155458	382538	160234	323798	252213	115798	365766	412394	661840	527199	389495	279200	311561	290222	279960	136189	241771	337264	275847	302703	298132	323439	259869	983326	278632	369462	222660	135409	450619	186147	161382	7080	745	352	457657	238544	686	299137	269292	310110	321814	214937	560	471571	200331	152154	287797	358266	104854	263514	263575	401740	310196	134410	256872	197707	138731	211222	592810	296655	322871	291226	316655	151132	252142	295	245203	246662	138921	231415	226572	219535	270923	217540	174921	208401	130420	191637	130635	311741	377000	381785	191627	287329	2010	335662	337869	219061	176252	164549	282122	192935	325100	263000	268048	188069	719	186404	423700	Phytochemical	0.44	1.28	0.0
26	C25 H32 O11	509.20175	509.20248	0.15527812	509.2018	14001	8931	11208	10839	12364	11423	4509	14623	12588	42470	11627	4846	21964	5929	11088	8485	7063	22675	14982	30321	25297	15230	10164	10511	9079	10756	2979	7205	9835	10823	7804	7339	11873	10067	40674	7618	13856	9136	6672	20677	8437	6288	0	0	0	21454	17013	0	10274	9459	14821	12350	9726	0	17191	9656	4639	9785	9033	5262	14688	9463	17941	13447	2277	14623	7490	3881	10913	29852	21716	9443	8651	6905	0	6815	0	7118	14459	9207	12096	10068	8207	7857	9906	0	10952	2833	6330	4269	13458	15725	17564	10242	12424	0	10722	15349	8818	9403	10438	7349	5866	9881	11500	8356	7330	0	7639	20913	Phytochemical	0.44	1.28	0.0
22	C25 H32 O11	509.20175	509.20242	0.020420928	509.20175	151287	138817	135397	142599	116804	120025	65574	156450	164473	357020	110710	69000	175974	78091	132623	114683	47190	217827	177450	307754	231011	168861	121260	139704	143672	109905	49237	101803	141199	110518	136133	140794	151813	111376	398386	118672	186084	107424	56713	194615	75992	70290	2793	0	281	209005	109007	0	135116	112222	145517	146152	101613	584	229416	105193	62818	128203	158349	45455	116006	127021	195024	152077	53789	129455	92939	55138	102541	277775	146602	136824	113301	136166	54609	113160	470	108588	119280	54428	104983	121336	83928	98906	113248	83046	104625	55633	94853	53114	135598	175039	171688	79617	144750	0	139211	127514	101545	80445	84506	133146	83926	142514	119792	120935	88870	0	82210	229667	Phytochemical	0.44	1.28	0.0
16	C24 H32 O10 N2	509.21298	509.21365	-0.01763429	509.21295	49977	38744	43172	50069	14045	30266	37297	57100	31588	72473	22800	26429	25841	8342	57735	48503	26914	39392	43384	80161	44403	88058	48169	59261	63231	10420	27122	22923	54194	45408	54677	76288	74563	45961	86883	54127	73861	39071	24863	61309	24771	25845	414	0	0	61613	24066	0	76965	48451	39573	44607	26261	0	35716	17307	20644	56200	75011	19973	62569	36987	25102	28354	14815	32717	30364	27281	7394	24757	9992	62947	52993	54688	25241	53170	0	46895	38996	28342	29216	31089	52979	38166	17342	23682	34851	19335	30362	40090	67990	84371	114333	27296	52296	0	42793	46737	13292	12943	16888	61731	34011	62211	25486	59289	15057	0	43082	36951	Lipid	0.41666666	1.3333334	0.083333336
18	C24 H32 O10 N2	509.21298	509.21368	0.033296406	509.21298	36840	32966	31349	28920	14904	19917	26302	37397	16199	40410	7652	15034	26709	9237	37230	30471	13481	27381	32878	36883	28875	38913	23904	42364	37969	5689	18704	15036	40323	30337	42250	31562	41129	37045	52893	39233	48810	30897	14371	36521	8489	20426	268	0	0	36392	9257	0	38361	29526	25698	31665	20001	0	34513	12021	12753	38959	53658	11504	32468	23877	17499	17833	10447	19520	15252	14760	4402	14522	7007	37145	27782	37797	13129	23198	0	23960	17283	12723	17527	17911	28052	18718	12287	16978	25600	17398	20911	19755	55078	71885	72976	12828	33928	0	28419	30713	9762	7249	12613	37544	21295	55971	13790	36860	9908	0	25924	35664	Lipid	0.41666666	1.3333334	0.083333336
16	C29 H32 O8	509.21698	509.21765	-0.07319809	509.21695	9007	13084	3860	11171	4644	2110	6789	6739	7618	9374	6014	8869	5251	4988	9100	10275	13020	0	5136	9808	7595	9191	7877	7669	4292	20605	6118	3475	6037	5965	7597	9164	10600	4970	9133	9375	6963	7208	11129	12279	12497	3313	0	0	0	6026	4142	0	8570	10376	8686	8218	4354	0	4270	4179	5896	11019	5884	9023	0	2958	6362	6470	2736	4412	3037	8745	15095	16709	23677	4941	4403	3121	10810	7168	0	6257	13421	5293	12006	5142	9900	10372	8231	0	14283	4554	4020	0	5237	10309	0	4138	9013	0	7689	7675	4309	12746	7940	9941	6444	6669	0	0	4508	0	6075	2573	Phytochemical	0.27586207	1.1034483	0.0
28	C29 H32 O8	509.21698	509.21762	-0.007112975	509.21698	7941	7797	7823	7261	12133	4181	2805	3921	12274	13504	13664	3403	15174	4831	0	5207	5038	6984	10010	11840	14666	6466	5243	5738	3053	41161	2530	14542	4354	4599	2606	3471	5355	4154	16334	4674	4973	3929	3866	10339	15180	3439	0	0	0	6355	8550	0	5002	4425	9082	9637	8857	0	9350	12887	3430	6578	2944	2204	6631	7674	7865	7415	3041	13033	6093	4908	43654	34636	64438	2865	3726	0	3852	3038	0	3129	9295	8338	7155	6688	3464	8970	14399	4332	9214	4983	4211	4822	5604	5673	8129	6524	7992	0	7823	7723	9016	18257	18058	4140	2469	6234	3497	4869	10666	0	4137	10507	Phytochemical	0.27586207	1.1034483	0.0
18	C29 H32 O8	509.21698	509.21768	-0.005167613	509.21698	30567	36497	27585	25806	26811	11971	17504	26531	18396	36148	41638	17694	25808	18384	21924	34222	27071	8360	29224	43213	41968	20106	25210	30296	21302	79881	16518	33689	21938	14316	17582	22209	24666	17267	32231	22908	21739	20815	27931	27504	40911	14171	0	0	0	14519	20016	0	24576	26163	24948	28711	17350	0	19726	21425	12839	33878	16991	20867	23967	24637	20671	19962	16093	23013	19389	32144	50236	66630	112136	17770	11520	18753	26787	29394	0	13531	34974	17767	32809	21032	16703	28841	33248	17142	33851	17342	17756	40113	25327	20974	33825	15197	19966	0	33184	22841	25505	28013	33265	25071	20165	27451	12520	27340	18103	0	24603	22601	Phytochemical	0.27586207	1.1034483	0.0
6	C23 H32 O9 N4	509.2242	509.22516	0.10841016	509.22427	4808	5594	4268	5700	1619	3990	3512	3520	1454	2362	2648	1489	1952	627	3613	5039	1809	1430	1909	1793	2365	6193	3431	4993	5102	0	2159	9939	4261	3602	3683	5800	6417	4790	3634	3545	6484	3366	2488	1641	951	1109	0	0	0	0	0	0	5996	2927	6157	5687	1529	0	1612	0	628	4634	4163	1412	4962	1859	1178	1432	757	1436	2038	2716	0	0	0	3977	2683	3789	1589	4157	0	2606	3221	29895	2306	781	2027	1318	945	2016	3068	2137	2770	5189	97227	40849	14532	6777	4419	0	4071	5152	585	843	0	2654	2432	3628	0	5670	971	0	3662	2560	Peptide	0.39130434	1.3913044	0.17391305
14	C23 H32 O9 N4	509.2242	509.2247	0.2546319	509.22433	0	0	0	0	0	1434	0	0	1733	0	0	0	1560	0	0	0	0	0	0	0	0	0	1916	0	0	0	1507	0	2977	3359	0	0	3282	1726	0	0	4325	0	0	0	0	0	0	0	0	0	0	0	0	2636	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1220	0	52199	0	0	2697	0	0	0	0	0	0	0	188614	35159	8779	9463	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.39130434	1.3913044	0.17391305
8	C23 H32 O9 N4	509.2242	509.22507	0.17296168	509.2243	9367	6893	6751	10489	1710	7578	2598	6819	1612	0	3026	3032	2510	0	5289	6616	3991	2457	1869	2752	2663	8539	3594	7664	3938	0	2541	19941	7381	2925	6441	7572	9423	3352	1902	6907	7148	3515	3186	2290	1441	2453	0	0	0	2284	0	0	5467	2743	7561	8850	3177	0	1744	0	1792	5640	3395	0	4674	1350	0	1743	0	2162	2455	2932	0	0	0	4615	3389	3391	2352	3397	0	3141	3197	82661	1872	1594	2676	0	1717	0	5493	1910	2781	7595	308563	118443	14044	18942	11320	0	9190	6405	930	1697	0	7344	2994	4386	0	5133	0	0	3938	2084	Peptide	0.39130434	1.3913044	0.17391305
10	C23 H32 O9 N4	509.2242	509.22507	0.15011488	509.22427	12378	12019	9801	7692	2202	2840	3514	4411	1309	2940	5353	1349	1102	0	2766	5772	4383	2383	3348	2315	0	6820	3374	6017	4744	0	2425	38772	5636	3862	3876	4548	6793	3002	3346	5672	9088	2920	5313	2968	0	2182	0	0	0	0	0	0	6398	2082	11460	12387	2992	0	2064	1674	947	7871	0	0	0	0	0	1371	0	2887	1879	6187	0	0	0	5438	4145	2639	1779	3490	0	2955	3669	117865	3215	1577	3959	0	2184	1246	3836	2085	2315	7054	603897	161483	9236	27610	12594	0	8250	9630	1773	2456	2082	6903	3373	0	0	4771	2341	0	4617	0	Peptide	0.39130434	1.3913044	0.17391305
28	C26 H36 O10	509.23813	509.23877	0.01638643	509.23813	4631	5666	6581	5191	3917	2327	3086	5943	3608	14916	4153	3159	9399	2728	5597	6232	2825	8901	5695	10514	10675	5381	2469	5160	3815	5784	2840	6159	8800	5076	4857	4624	6233	4901	19382	7124	7558	3922	2381	6377	4650	2801	0	0	0	4619	4280	0	8219	5948	4921	6600	3128	0	5585	3426	2586	7469	2802	2295	5843	3223	10568	4817	1830	6173	4138	3097	5813	20779	13706	3725	3277	4973	3258	4721	0	3770	4541	0	3476	3442	3498	5222	5122	2160	4552	3602	3519	3593	5377	7014	7039	0	3186	0	5285	7492	3017	3810	3660	6952	3513	4021	3021	4163	2581	0	3264	8441	Lipid	0.3846154	1.3846154	0.0
26	C26 H36 O10	509.23813	509.2388	0.013269797	509.23813	18212	23407	22711	19448	18499	17089	8565	22314	28760	55254	15203	12534	30705	15101	24698	20210	7569	38109	34967	43751	44494	23031	19025	20929	18465	18817	6750	14832	20084	21058	21604	20395	25517	21150	57478	28429	36970	14017	14106	25838	16723	10494	0	0	0	20212	13870	0	28942	20303	21254	19544	14465	0	39636	18232	10749	23555	19251	6055	22141	14094	31056	26663	7096	24812	10389	10391	17463	52831	27570	28433	18964	18563	14532	19644	0	17388	24938	0	16475	9635	15525	10965	22535	12666	19588	10768	14349	11523	21878	25084	36660	9909	15445	0	19576	21357	13270	15831	14122	21165	14672	18894	9702	19938	12227	0	16367	35148	Lipid	0.3846154	1.3846154	0.0
14	C25 H36 O9 N2	509.24936	509.25012	0.18889454	509.24945	8780	10912	9884	14252	5846	4598	11046	25828	5152	10750	0	16444	3128	4380	12420	19368	12074	9302	13838	13510	8944	15260	11546	28762	20186	0	12076	0	16604	19016	10016	21828	32056	17468	14336	21176	13444	8366	10614	11244	10488	9318	0	709	1226	13000	13844	0	13676	12804	12116	17134	8252	0	9444	3082	2920	19592	0	0	0	6864	3450	4530	2410	7338	6806	15902	0	7312	0	7568	14920	20200	11122	17728	0	14602	7840	0	12140	4824	10574	5276	0	0	14180	0	7916	15910	16590	31800	24752	6404	13178	0	9712	9238	1906	2778	2244	21580	14994	22004	0	16484	0	0	10534	5068	Lipid	0.36	1.44	0.08
18	C30 H36 O7	509.2534	509.25406	-0.03688304	509.25336	10162	14145	16850	17088	8479	4687	17078	16209	6309	4619	9371	10621	5666	6441	13234	18156	31712	2882	10840	12066	14049	11212	11379	11398	12741	22430	20559	11038	11318	13348	14374	12395	15408	11492	10923	16105	9002	15035	34445	10282	21924	9285	0	0	0	5859	7900	0	10730	15859	15830	12356	9984	0	9839	17821	8613	19314	9885	17449	12184	5231	9458	7124	7860	5777	8680	28590	14129	14268	30446	5924	9713	11547	19363	16248	0	10118	34077	8996	21416	7164	16019	10086	11537	8616	34038	5674	7512	36467	11687	15872	20707	4807	8217	0	17892	12068	9362	20115	13039	20619	12439	13807	3246	13363	9445	0	25153	5168	Phytochemical	0.23333333	1.2	0.0
12	C24 H36 O8 N4	509.2606	509.26126	0.2054823	509.26068	6846	4246	5337	5516	0	3300	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40995	0	0	0	1232	1775	0	0	0	1774	0	1947	0	0	0	0	0	0	0	0	0	0	0	5941	3990	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	151791	0	0	0	0	0	0	0	0	0	0	605643	250501	4485	26445	2247	0	7556	3284	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.5	0.16666667
8	C24 H36 O8 N4	509.2606	509.26138	0.13766013	509.26065	12851	8938	5251	10623	0	7836	979	0	0	1558	5767	0	0	0	1579	2511	0	0	0	0	0	1856	920	0	1684	0	965	56209	1640	1003	1366	2135	2849	1881	0	1806	4118	1068	0	0	0	1263	0	0	0	0	0	0	1068	1604	11016	10203	1434	0	0	0	515	1809	921	0	0	0	0	0	0	0	867	1980	0	0	0	771	1462	777	0	1724	0	0	831	279601	0	0	0	0	0	0	0	1289	839	2392	854482	416285	2008	34431	9642	0	10286	8551	0	0	0	1824	829	0	0	1656	0	0	1626	0	Peptide	0.33333334	1.5	0.16666667
10	C24 H36 O8 N4	509.2606	509.2616	0.24000779	509.2607	14066	14095	12643	12007	0	14170	0	0	0	1691	9013	1151	0	0	845	1664	0	0	0	0	0	0	0	0	1252	0	0	70654	2262	1512	1632	0	2340	1949	0	1198	1368	1080	0	0	0	2215	0	0	0	0	0	0	0	1438	14393	18416	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1119	1330	0	0	0	1271	0	316588	0	0	0	0	0	0	0	961	1637	0	1451597	527926	10951	49896	13383	0	13894	15259	0	0	0	1660	0	0	0	3405	0	0	0	0	Peptide	0.33333334	1.5	0.16666667
6	C24 H36 O8 N4	509.2606	509.2614	0.21355206	509.2607	2190	777	1898	1963	0	1423	830	0	568	0	0	0	0	0	852	1178	0	0	0	0	0	953	1034	2780	1214	0	0	11433	682	1005	1020	853	1773	850	0	0	1120	489	0	0	0	0	0	0	0	0	0	0	0	0	1565	1826	0	0	0	410	0	1042	0	0	0	0	0	0	0	0	0	0	0	0	0	0	688	0	0	607	0	859	1118	59602	0	574	403	0	1096	0	1007	565	0	1679	140538	53172	2522	5925	1730	0	1886	3032	0	0	0	0	711	0	0	0	0	0	0	0	Peptide	0.33333334	1.5	0.16666667
10	C29 H36 O6 N2	509.26462	509.26526	0.11177964	509.26468	43140	36890	36739	38808	0	1223	0	11017	0	0	0	0	0	0	0	284377	0	0	0	0	0	10116	0	163045	6939	0	0	0	0	0	1138	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10042	0	0	0	0	36803	31558	0	0	0	0	0	211319	0	0	220345	0	0	0	0	0	0	1305	0	6528	0	2176	0	0	0	0	0	0	1962	0	0	0	0	0	0	0	1120	0	0	2337637	15202	0	1738485	0	0	0	37518	36993	0	0	0	0	0	0	0	368824	0	0	4569	0	Phytochemical	0.20689656	1.2413793	0.06896552
12	C29 H36 O6 N2	509.26462	509.26505	-0.06922335	509.2646	2759	0	2369	0	0	0	0	0	0	0	0	0	0	0	0	3593	0	0	0	0	0	6876	0	0	0	0	0	0	0	0	0	0	0	1292	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2643	2480	0	0	0	0	0	6616	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	75075	0	0	23888	0	1101	0	0	0	0	0	0	0	0	0	0	6588	0	0	0	0	Phytochemical	0.20689656	1.2413793	0.06896552
18	C27 H40 O9	509.2745	509.27518	-0.03040278	509.2745	28876	29649	33756	28276	17385	13527	37892	37715	23609	17138	16038	29814	21996	13284	32168	48713	56880	19900	25703	24344	20618	21014	30532	35915	26682	19511	33037	19941	37337	43363	34131	41475	50592	30328	15660	35068	36319	26560	53538	10004	14116	21821	276	0	0	16121	14051	0	40640	29982	36952	23875	21408	0	32518	23508	17096	44894	21608	22661	37808	6498	27693	25253	16794	22747	24545	53515	8786	18041	14977	22980	28683	43597	55147	41583	0	24909	37162	18882	32369	17462	30242	16872	35656	23242	39060	14650	20952	45894	33883	30604	42306	11386	13922	0	32553	26705	20030	35427	43583	41197	22660	29138	10570	25692	20674	0	30907	24168	Lipid	0.33333334	1.4814814	0.0
20	C31 H40 O6	509.28976	509.2904	-0.009446041	509.28976	5428	3592	2118	3272	4628	0	10184	9560	3767	2317	5584	7397	2088	2478	8227	12659	23746	0	4221	2208	3154	3379	6944	8045	9597	4518	11055	2445	4185	7728	5444	5375	4304	3418	2201	10884	3769	9419	21177	2729	7586	2783	0	0	0	0	3691	0	7742	8868	5710	4056	2166	0	10654	2235	4020	10138	4920	10294	5192	0	0	4313	3903	3077	2966	29029	4235	3947	8981	2122	6160	6875	13891	4534	0	2939	17123	5376	12269	3274	8039	0	4105	5141	18771	2524	2910	24837	5872	4662	5916	4117	5388	0	4287	6824	5750	11982	8052	12243	6340	7456	3644	7234	4636	0	11690	0	Phytochemical	0.19354838	1.2903225	0.0
8	C25 H40 O7 N4	509.29697	509.29733	-0.022091039	509.29697	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35215	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	64435	0	0	0	0	0	0	0	0	0	0	28740	11288	0	1752	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.28	1.6	0.16
22	C28 H44 O8	509.31088	509.3115	-0.0826717	509.31085	14511	15848	12152	14630	13719	4736	35693	14075	9148	7318	5420	9707	14600	14172	12886	23906	31067	8396	15526	4960	4838	7925	9064	10410	13514	5831	35326	5071	18971	17292	13356	24310	24815	15604	7246	20349	19527	12547	25365	1917	2093	10355	0	0	0	5135	6756	0	19636	15345	15489	11134	11137	0	19762	18280	12574	20987	5756	5978	17124	1284	16341	12558	12564	12443	15540	30604	0	4333	0	9200	14607	17970	22154	23566	0	9483	16023	3705	8249	5633	36066	19238	26003	16552	21991	5453	13483	17060	14294	13127	11900	5111	4530	0	12425	13868	11708	23096	28251	25669	8489	16600	3848	10728	19739	0	15180	10633	Lipid	0.2857143	1.5714285	0.0
28	C32 H44 O5	509.32614	509.32675	-0.053739537	509.3261	6330	6650	6594	6389	3713	3969	8450	7658	5279	1689	6038	5387	0	4434	6632	20704	18580	0	9960	2005	2461	2315	4291	4872	11802	11576	9874	7497	15703	10917	7008	13533	14772	5737	2374	18955	11622	8647	17396	3100	3870	7799	0	0	0	0	0	0	8651	8719	7862	6070	4899	0	10342	11025	3841	34656	5351	3206	13934	2751	2844	5308	3991	4323	7040	23740	8733	2590	4449	1891	4310	14200	4946	10891	0	7026	11794	9451	4770	3077	7472	5457	12493	8024	21291	2671	3717	13172	4814	5324	7369	4515	0	0	8751	5229	5323	25658	27244	22842	7008	8685	4757	19533	7523	0	9352	1572	Lipid	0.15625	1.375	0.0
24	C32 H44 O5	509.32614	509.32675	-0.045785993	509.32614	12549	15919	14833	13165	1947	2764	13271	6220	5451	0	4208	5544	4437	3537	7630	52171	270830	0	8484	3031	1917	0	6587	7284	13519	6618	21261	3515	13708	6370	6759	18644	11873	3905	0	14475	8954	7698	389370	1924	8330	5345	0	0	0	1611	3294	0	7226	9981	14561	12648	3816	0	7481	11286	6753	60644	3655	8945	16479	2627	0	5530	4698	2549	6268	541201	4325	2010	12374	0	2159	8351	17343	11725	0	6190	17504	5027	8593	1842	7548	3170	10984	13512	31052	4749	6474	45007	7276	4902	10110	3446	1321	0	15001	15393	5732	21899	20372	18630	6056	8781	2485	23097	10712	0	16017	1733	Lipid	0.15625	1.375	0.0
26	C32 H44 O5	509.32614	509.32678	-0.06169741	509.3261	32633	30829	31629	26999	9212	13752	20933	22992	11283	1890	11190	14811	5488	7380	17026	190298	119245	0	31264	7414	5254	7053	8958	15123	29621	17186	32419	14484	56308	24485	20771	53729	50177	16534	3220	59696	41064	15478	139818	8998	12287	33475	0	0	0	9607	5849	0	35002	19469	30886	34550	10164	0	18245	29507	14107	592097	13683	12953	92723	5025	6134	11672	9362	7796	22134	188271	17438	13393	27713	5732	9492	26750	23464	37577	0	14321	22584	13684	14671	9576	15867	9704	16331	30816	53257	11161	15861	42139	12469	15174	21618	12233	7403	0	30200	27826	10649	40444	33473	76689	14955	15234	0	118169	16773	0	28856	2807	Lipid	0.15625	1.375	0.0
22	C32 H44 O5	509.32614	509.32666	-0.18331036	509.32605	0	0	0	0	1344	0	1747	0	2417	0	0	0	0	0	1523	6964	27471	0	2366	0	0	0	0	0	0	0	4826	0	1234	0	0	0	1838	0	0	4534	1817	1164	34925	0	1356	0	0	0	0	0	0	0	0	2068	0	0	0	0	2579	1347	2085	14900	0	0	2121	0	0	2783	0	0	0	47635	1550	0	2495	0	0	0	3799	1879	0	1034	3070	0	1435	0	0	0	0	3333	1771	0	0	2307	0	0	1826	0	0	0	0	0	1626	2633	4880	3167	0	0	0	3000	1473	0	4176	0	Lipid	0.15625	1.375	0.0
28	C28 H45 O3 N4 Na1	509.34622	509.34674	0.21125622	509.3463	969	1587	1444	851	1284	1337	33257	0	0	0	2179	988	0	3826	0	0	3135	0	0	0	0	1458	0	0	0	0	18799	2315	3898	2895	1331	2338	1457	2154	0	4290	3229	1982	1816	0	0	0	0	0	0	0	0	0	3337	0	0	1335	1390	0	2282	2352	906	3413	5978	1538	0	2311	0	921	1174	1429	2809	3075	0	931	0	1156	2185	2984	0	2071	0	1447	1375	2944	1667	1053	4001	2821	2205	0	4484	0	0	2001	5639	2430	2311	817	0	0	1097	0	1116	2090	2993	3323	1925	0	8236	2158	2021	0	1517	0	Unclassified	0.10714286	1.6071428	0.14285715
26	C29 H48 O7	509.3473	509.34766	-0.10337596	509.34723	3984	3846	3735	0	2848	0	74285	0	2563	0	0	0	0	10342	0	0	11148	0	4327	0	0	0	0	0	0	0	61264	8830	6773	0	0	8700	6738	4264	0	7532	4117	0	11665	0	0	0	0	0	0	0	0	0	4505	0	4222	2810	0	0	0	0	0	6807	3787	4681	8001	0	2490	0	6362	2712	6924	9405	0	0	1887	2859	2855	7843	0	4995	0	0	3605	0	0	0	15135	14131	0	0	6308	0	0	7617	10341	7668	0	0	0	0	4427	0	0	3560	0	7906	0	0	12716	4764	0	0	6256	0	Lipid	0.2413793	1.6551725	0.0
24	C29 H48 O7	509.3473	509.34766	-0.060793854	509.34726	3134	2396	1439	2009	0	0	24842	2645	0	0	0	897	0	2284	1278	4782	8670	0	0	0	0	0	0	0	2336	0	17488	1561	2382	2320	2403	3130	1459	2123	0	4876	1242	2242	8932	0	0	0	2176	0	0	0	0	0	2311	1933	1098	1473	1829	0	0	1168	996	3123	0	1989	2990	0	0	0	2746	0	1026	8925	0	0	0	0	1958	3628	5442	3590	0	1571	1290	1438	0	0	9497	5213	1083	0	1910	1287	1035	5140	3321	2379	2646	0	0	0	2768	1442	0	1262	3474	3085	859	1427	0	3077	2163	0	1906	0	Lipid	0.2413793	1.6551725	0.0
28	C30 H52 O6	509.38367	509.38397	-0.052087042	509.38364	0	0	0	0	0	0	21828	9483	0	0	1337	0	0	1601	0	10033	0	0	0	0	0	0	0	0	0	0	16766	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1751	0	0	968	2324	0	0	5081	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1170	0	0	5118	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	1.7333333	0.0
26	C30 H52 O6	509.38367	509.38327	0.07653564	509.3837	0	0	0	0	0	0	29178	0	0	0	0	0	0	2921	0	0	0	0	0	0	0	0	0	0	0	0	19391	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2279	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2238	0	0	5252	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	1.7333333	0.0
22	C21 H19 O14 N1	510.08783	510.08868	0.11365081	510.0879	4988	4591	5864	4416	12036	4133	0	0	13275	0	2074	1464	26688	0	3241	0	0	17466	8049	0	5396	11657	3220	0	0	0	0	0	0	0	0	0	0	0	3866	0	0	1868	0	2626	3319	2614	0	0	457	8384	36775	0	0	0	4039	3196	5992	0	10712	19245	4135	0	1390	1788	1422	6316	23745	14779	4472	10456	1674	0	0	0	0	0	0	0	0	0	471	0	2170	10611	3421	16688	0	0	20857	4007	3179	2049	4531	0	0	0	1605	14258	11664	0	5059	4030	13315	13117	13969	1871	0	1658	31823	0	12557	0	0	20366	Phytochemical	0.6666667	0.9047619	0.04761905
28	C21 H19 O14 N1	510.08783	510.08853	0.060160205	510.08786	5542	4024	6824	4657	9414	7165	0	0	11697	5999	2880	1029	23408	4030	0	0	0	15829	8601	6856	11824	10220	2298	0	0	0	0	0	0	0	0	0	1042	0	7677	0	1212	1747	0	2301	4909	0	0	0	0	11971	26848	0	0	0	2843	3736	4876	0	13212	9405	2912	0	0	0	0	5444	15888	9918	2274	7898	1659	0	0	1821	2973	0	0	0	0	0	0	1116	3439	6413	2268	12157	0	0	10472	4570	2239	1549	1883	1573	0	1463	2570	9946	6096	0	5929	6361	7436	8588	7895	0	0	0	21112	1372	8284	0	0	20446	Phytochemical	0.6666667	0.9047619	0.04761905
26	C21 H19 O14 N1	510.08783	510.08862	0.048115615	510.08786	4526	5399	2947	4217	9417	7418	0	0	9631	3310	0	0	20792	4024	0	0	0	10414	8063	0	6064	12947	0	0	0	0	0	0	0	0	0	0	0	0	7135	0	0	0	0	0	4527	0	0	0	0	7522	31612	0	0	0	3255	4699	3806	0	8204	10375	0	0	0	0	0	5148	20369	9803	2429	7586	2726	0	0	2283	2719	0	0	0	0	0	0	0	0	7630	2858	10493	0	0	12523	0	0	0	2910	0	0	0	0	14695	10449	0	4596	5714	6653	5697	6347	0	0	0	17062	0	7091	0	0	20257	Phytochemical	0.6666667	0.9047619	0.04761905
18	C21 H19 O14 N1	510.08783	510.08862	0.086083986	510.08786	4785	5201	9185	8503	17151	10031	0	0	22112	3267	7398	2437	47502	4812	0	2921	1543	22795	21353	4195	10117	26835	6183	1870	0	0	0	0	0	0	0	0	2013	0	6319	0	2046	0	1695	4439	11301	4402	609	0	0	16549	44310	486	0	1320	6191	7406	11593	0	26375	30962	8832	0	1412	1704	1797	10324	47283	23069	7958	25019	9590	0	2012	2163	0	0	0	0	0	0	0	3547	6381	22391	3565	17853	0	0	34272	8559	2629	6266	7470	0	0	2923	2334	33156	18531	0	4917	4938	22254	21605	33386	2994	1568	1749	37856	2601	21715	0	0	42536	Phytochemical	0.6666667	0.9047619	0.04761905
12	C21 H19 O14 N1	510.08783	510.08893	0.27278134	510.08798	2330	0	2603	3900	10933	1641	0	0	9870	0	2445	1021	15891	1718	0	0	0	7408	8558	0	7543	11625	1122	2739	0	941	0	0	0	0	0	0	0	0	4032	0	0	0	0	1369	6384	2907	0	0	0	3566	19899	0	0	0	1294	0	3053	0	10118	12998	2113	0	0	0	0	2184	31808	8993	3324	10909	2452	0	0	0	0	0	0	0	0	0	0	0	1387	0	0	5714	0	0	11683	3227	0	2519	2580	0	0	0	0	16573	4205	0	0	0	9362	12776	11343	0	1002	0	0	0	9065	0	0	13171	Phytochemical	0.6666667	0.9047619	0.04761905
24	C21 H19 O14 N1	510.08783	510.08865	0.12847719	510.0879	6861	1905	3656	3760	6230	4971	0	0	8483	2300	2642	1622	26479	2918	1616	1682	0	13509	5377	2171	7457	12641	3023	1383	0	0	0	0	0	0	0	0	0	0	4395	0	0	1996	0	1439	3806	1852	0	0	0	8008	28047	0	0	0	5536	3021	5321	0	13821	10576	2759	1181	1329	0	0	5411	11731	13123	2206	5323	2433	0	1402	0	0	831	0	0	0	0	0	0	1750	8494	3621	12255	0	0	12771	3920	1960	1742	3862	0	0	0	1783	9229	5125	0	5244	2226	8656	8187	11077	1583	1148	0	20933	0	5863	0	0	18933	Phytochemical	0.6666667	0.9047619	0.04761905
14	C21 H19 O14 N1	510.08783	510.08878	0.23010576	510.08795	4313	4364	4315	9158	16160	5510	0	0	20158	0	5618	0	29493	1732	1931	0	0	16069	14393	0	7956	18056	4363	0	0	0	0	0	0	0	0	0	0	0	6885	0	1471	1413	1447	2851	9301	5024	0	0	0	10216	45310	0	0	0	4059	4157	4956	0	18577	21852	6512	0	0	0	0	4622	38003	17203	5599	20170	4847	2410	0	0	1267	0	0	0	2202	0	0	1107	3916	17832	2583	13303	0	0	23594	4429	1749	4288	3730	0	0	0	2974	40348	14358	0	3838	3735	14552	24104	20398	0	1877	0	19615	0	16267	0	0	24033	Phytochemical	0.6666667	0.9047619	0.04761905
16	C21 H19 O14 N1	510.08783	510.08878	0.19261314	510.08792	5731	5917	6266	5368	18145	4935	0	0	22863	2745	3197	1383	43019	5476	1538	0	0	23051	16863	2092	16663	30998	6151	2897	0	0	0	0	0	0	0	0	2429	0	8856	0	0	1549	0	3520	8559	6068	0	0	0	12959	48980	0	0	0	8430	9949	10373	0	28064	28423	5051	0	1432	2027	0	11451	44236	14872	9355	22201	8672	2892	3392	0	3802	1314	0	0	0	0	618	1159	0	27554	4792	20829	0	0	34467	9331	4404	5992	7567	0	0	0	0	35407	19068	0	4096	9538	19195	24476	32071	0	1646	0	41559	0	17701	0	0	35392	Phytochemical	0.6666667	0.9047619	0.04761905
20	C21 H19 O14 N1	510.08783	510.0887	0.15342255	510.08792	7768	14182	13154	10906	29156	14248	0	0	34258	5726	5840	3566	80584	9598	3142	0	0	34710	21324	5432	15818	29618	11072	3358	0	0	0	0	0	0	0	0	0	0	8784	0	0	3534	3084	6364	16430	11596	1258	0	0	30010	96522	1032	0	2660	10490	9582	15896	0	32840	37048	15420	0	3120	0	0	18306	47948	29642	14072	33328	7312	4092	0	0	8094	0	0	0	0	0	990	3038	6540	38744	7482	48528	0	0	68548	13872	8632	7270	9112	0	0	0	0	53206	35666	0	10750	17060	28814	32006	41450	3698	0	2558	72232	0	38128	0	0	63480	Phytochemical	0.6666667	0.9047619	0.04761905
28	C22 H23 O13 N1	510.1242	510.12482	0.083104596	510.12427	7972	5547	5462	5046	7835	7145	0	0	6759	15949	4233	0	14163	2872	0	0	0	14335	6673	16894	15715	10370	2621	0	0	2577	0	1596	0	0	1515	1432	1892	1138	20373	0	2751	1687	0	8402	7308	2375	0	0	0	26783	45520	0	1349	0	5978	4602	4839	0	7698	7312	2445	1238	2211	1480	2260	8953	9984	6744	2541	5924	2194	883	8939	9500	8968	945	0	0	0	1266	0	1631	3440	8474	2384	22983	1190	4868	9919	3964	3348	2033	2116	891	1922	2688	2790	10268	17849	0	6171	4675	5157	3524	4684	1892	1414	0	29052	1943	7178	0	0	14096	Phytochemical	0.59090906	1.0454545	0.045454547
26	C22 H23 O13 N1	510.1242	510.1249	0.01039051	510.1242	4574	4713	7883	4006	5527	6406	0	0	10974	12714	3020	0	15650	2625	0	0	0	11845	7183	12653	18261	12371	0	0	0	0	0	0	0	0	0	0	0	0	13296	0	1871	0	2504	8331	8706	0	0	0	0	32030	57547	0	0	0	7638	5081	6178	0	8779	8699	0	0	0	0	0	9688	11046	8960	2914	7444	0	0	5746	7220	4759	0	0	0	0	0	0	0	3116	8800	2941	24058	0	4967	8158	0	0	0	2609	0	1922	2273	0	9966	17407	0	7083	8344	6025	4012	0	0	0	0	35300	1966	4596	0	0	19284	Phytochemical	0.59090906	1.0454545	0.045454547
24	C22 H23 O13 N1	510.1242	510.12494	0.065879844	510.12424	18310	16210	11120	16400	15924	16786	0	4652	20404	25442	7238	4076	49638	4266	4008	3272	2500	43752	21366	25804	38468	28204	8594	6378	5090	0	0	3286	4210	0	4656	2738	3000	2666	24552	0	3578	4798	0	16024	17418	0	0	0	0	80130	138600	0	0	3244	15356	10378	10718	0	31328	24610	8116	0	5352	0	5558	21226	42622	23040	8018	14078	3736	0	9036	8118	12823	2124	4884	3872	0	0	0	0	9414	28604	6134	73736	1930	7984	32280	12352	6428	4432	8060	0	4838	7606	5872	33713	47146	0	14974	16504	21466	9566	21828	4948	4746	6336	89256	3072	22762	0	2228	44524	Phytochemical	0.59090906	1.0454545	0.045454547
22	C22 H23 O13 N1	510.1242	510.12494	0.11874319	510.12427	13979	11292	13548	12797	19710	14380	2216	4083	24701	27697	7933	4880	41282	7858	6920	3676	2395	37186	23171	19381	22279	25963	7888	5074	4425	2956	1614	3916	2110	1963	1026	4116	4358	3033	19352	1815	4529	3051	1507	13152	13567	5442	0	0	0	73515	106462	0	1748	1729	11816	13424	14241	0	28731	18801	9296	3468	5438	3630	5608	21551	31425	19876	5888	20046	8004	2461	10855	4579	12232	3298	0	3132	3069	1016	461	3684	9547	25552	6069	56322	2171	8918	25478	12165	8766	4050	5659	0	4080	5655	5789	29884	40180	0	11412	9107	15651	15242	14581	3591	3476	5276	86985	4007	23602	0	2010	46265	Phytochemical	0.59090906	1.0454545	0.045454547
16	C22 H23 O13 N1	510.1242	510.125	0.08279371	510.12427	57760	49496	57326	51345	59452	41043	17044	25187	80848	81232	53264	24125	153382	23868	38247	32321	17181	124696	98671	99751	129768	133175	46247	23354	12265	13385	10740	18110	20015	14974	18550	10353	34283	16946	119408	17217	33298	25468	15719	65140	61659	30484	2542	0	0	169733	236412	355	17423	23983	55480	56066	49860	0	99046	77191	31029	19954	24728	24137	27810	68745	129524	79300	27655	80466	41668	17750	46093	23090	36510	17947	18334	16530	19183	18341	308	27668	31139	121851	23509	143104	12883	27463	86743	46602	25511	31301	32450	0	20435	34283	47221	127415	147582	0	59977	62572	60812	54411	73800	37848	20199	23415	180935	28994	71500	0	14085	116607	Phytochemical	0.59090906	1.0454545	0.045454547
20	C22 H23 O13 N1	510.1242	510.12497	0.12667663	510.12427	34708	33312	32118	33496	36471	30094	6840	12994	52542	49228	18154	7509	93539	20728	22410	12039	7914	72849	62109	61768	64632	75778	22924	11686	11815	7837	3797	9212	7648	6713	9868	7640	16950	10998	65398	6298	13962	15762	3230	41834	31902	17623	1428	0	301	142740	200111	617	10223	9030	30444	32577	27588	313	60988	42227	19549	12147	12952	5504	10230	46996	75286	42579	21293	40676	21562	5087	23789	15382	21668	8554	6481	5514	6102	5003	355	10854	18997	53079	12708	104499	6233	14393	55266	28129	12980	15454	16071	9889	11543	18463	21207	71183	65364	0	27921	36542	38940	30826	44804	10490	9415	11357	142057	8620	47404	0	8895	84078	Phytochemical	0.59090906	1.0454545	0.045454547
10	C22 H23 O13 N1	510.1242	510.12512	0.1715956	510.1243	21884	22263	13763	16991	19355	9977	4233	10440	29267	34240	27299	8932	41937	4528	7137	11795	14018	26182	25175	32583	52559	50217	14402	15672	2344	4329	6699	6930	5549	5053	5918	6008	9900	9037	42441	5266	8319	9033	13098	27313	43026	10350	0	0	0	34605	92033	0	7844	7501	14228	20843	14306	0	28726	23269	11218	9266	6468	14987	9430	26286	41754	26045	10477	26416	12994	15144	18657	9114	15956	9275	5130	7123	10219	7453	0	7197	13900	22319	10722	29117	5703	7503	38367	12165	10419	10145	12207	14849	0	7354	13890	41079	48502	0	21130	23384	26868	25920	26775	11634	6722	12346	53301	8174	20000	0	5789	36767	Phytochemical	0.59090906	1.0454545	0.045454547
8	C22 H23 O13 N1	510.1242	510.12518	0.12848933	510.12427	6838	7010	5653	6941	7585	4004	999	3227	12115	14278	8761	2239	17491	2075	2941	3706	4772	9383	10549	8145	19775	17524	5433	4712	1254	693	1760	0	1173	1437	1723	2765	2697	1272	13647	1716	2501	2657	4021	4024	18299	4265	0	0	0	9269	30989	0	1585	2901	5166	7862	5176	0	14250	11042	4367	1939	2014	5396	0	7669	19996	11247	4669	10987	5014	4538	4711	1488	4477	2612	3496	1877	2690	2448	0	1977	4156	10156	3588	8735	826	2245	13371	4787	3686	4201	4627	3549	0	0	4641	20198	18155	0	5274	6096	10433	14153	12708	3604	2945	2420	8484	2934	11278	0	1063	13434	Phytochemical	0.59090906	1.0454545	0.045454547
14	C21 H23 O12 N3	510.13544	510.13617	-0.092282325	510.1354	3251	0	4062	6666	2363	5760	0	2531	9103	17164	13682	5101	2171	1955	1794	0	2586	9907	7716	10671	15369	7137	7798	0	2008	17656	1967	9341	3100	3172	4567	0	2066	2390	21937	2014	4515	6193	2483	11895	9280	5654	0	0	0	12935	19436	0	2584	4385	7133	3205	5200	0	8534	3676	3248	0	0	0	0	8866	13033	9218	1385	9395	5734	6706	0	22416	23975	3331	2624	1390	6811	3362	0	4857	2914	0	5364	4113	1302	7218	3356	0	7871	4041	4218	4365	0	4120	7666	7275	11387	0	3927	0	3393	8989	8579	0	3354	3897	0	6994	1687	0	5600	11287	Peptide	0.5714286	1.0952381	0.14285715
22	C26 H23 O10 N1	510.13947	510.14014	0.012736059	510.13947	7042	6872	2480	8547	8614	4027	2074	1417	8925	46890	20762	0	7664	5319	0	0	1654	9918	9299	17635	32927	12643	3745	2200	2336	21324	2270	18524	0	0	0	0	2187	0	48260	0	1679	0	0	21385	21660	1318	0	0	0	23994	24157	0	1700	1510	7557	7236	3995	0	7656	3878	4111	1970	2945	1404	1423	13685	12374	7367	2869	6478	4362	0	21071	32293	34307	0	0	0	1201	0	0	1235	5484	21549	2150	11970	3151	14806	6887	4539	6560	2686	1986	4168	4739	5108	3279	30108	32367	0	4980	6369	7166	9534	7343	2704	0	2770	15524	1832	5815	0	2345	11418	Phytochemical	0.3846154	0.88461536	0.038461536
24	C26 H23 O10 N1	510.13947	510.14	-0.022316718	510.13947	3493	3688	3479	5345	3131	0	0	0	7031	22785	10546	1218	4058	1727	0	1245	0	3220	5978	11105	11631	13442	0	2577	0	8105	0	7686	0	0	0	0	2147	0	25135	0	2343	858	0	10550	8764	0	0	0	0	13149	17550	0	1416	0	2968	3060	2878	0	4431	3237	2577	0	873	1017	0	8573	10127	2854	1412	3378	1104	0	12508	16051	21067	975	0	0	0	0	0	1774	2496	12769	2793	7689	868	6239	3765	3926	2415	1572	2036	0	2299	5312	2982	12340	15279	0	4162	4906	3667	3697	0	0	0	1705	9179	0	4316	0	2022	5296	Phytochemical	0.3846154	0.88461536	0.038461536
18	C26 H23 O10 N1	510.13947	510.14017	0.030569743	510.1395	6363	12140	9052	12112	9889	5957	0	0	11126	44592	42390	1358	11415	5540	1409	0	0	4095	7270	26290	29816	19338	1840	1953	0	44144	0	15965	0	2083	1345	0	2840	0	58537	0	1705	3212	2355	32343	22718	3896	0	0	0	19091	19618	0	3002	1511	10629	7964	4717	0	6618	7441	2537	2527	3077	2678	3258	18380	10149	8079	3485	8016	7170	1935	35096	41686	39881	1616	0	0	0	0	0	1271	4014	24000	4107	13635	2903	14842	8276	5272	2538	3309	2739	4629	4630	12175	4133	28342	35104	0	4541	11314	6912	7924	9123	4293	1344	2611	14313	0	6790	0	2249	9000	Phytochemical	0.3846154	0.88461536	0.038461536
20	C26 H23 O10 N1	510.13947	510.14017	0.03090064	510.1395	8538	9099	11019	9995	8950	4672	0	1794	12054	52409	33241	0	13580	5183	2732	2093	1356	8789	14304	31173	31738	26049	3827	2874	1904	34708	1451	21993	0	0	2242	0	1957	0	72185	0	4290	1964	4796	31975	24000	2865	0	0	0	23188	25601	0	0	0	11022	11132	5806	0	9409	8697	2833	0	6012	2472	5463	19279	19831	8678	3867	9371	5464	1786	32151	46258	54092	1513	0	0	0	0	0	0	5894	25877	1562	14715	1815	18340	10001	7845	4140	2827	5185	3108	5081	8589	5850	31266	34696	0	10657	11259	9124	6755	7935	2159	1199	5102	17392	3716	8330	0	1631	12249	Phytochemical	0.3846154	0.88461536	0.038461536
20	C23 H27 O12 N1	510.1606	510.16125	0.001807774	510.1606	82010	71498	72123	57258	71021	64818	29500	55109	82920	154074	56145	31657	139563	40225	52379	42542	24946	115023	102749	166610	152778	104172	60490	55189	43081	73686	23709	42529	54299	46173	39352	42765	44691	38164	177933	49981	46135	31387	27354	112729	69712	41890	3505	0	0	246238	246460	625	40548	49417	67937	65462	54324	379	114352	72486	31565	42101	51860	26110	49949	95084	109579	71867	32975	76508	42459	20830	66734	97252	83790	45697	49747	47308	31216	33317	424	36353	39856	68933	38467	150058	34352	89185	89475	49703	29555	34425	43273	21979	33970	65466	69308	67338	113791	0	68897	79148	68872	56101	64242	44855	30663	55034	197319	43684	62760	0	27410	118019	Phytochemical	0.5217391	1.173913	0.04347826
24	C23 H27 O12 N1	510.1606	510.1613	0.07844585	510.16064	11145	16650	9862	15165	16789	12408	3519	7304	17146	42987	6573	3648	27147	4526	7636	5766	3264	21018	16958	35709	36125	13710	9322	7742	3571	13239	1180	5930	5635	4851	3901	5973	7838	5693	26931	4138	8849	4716	2662	23506	16139	3395	0	0	0	62631	64082	0	6047	3927	9000	15622	8439	0	22442	14226	4643	5815	4793	4366	7152	18751	22240	14839	2877	20032	4926	3476	10924	27095	20037	7303	5327	5626	2790	4397	0	4729	8538	11214	5718	43430	4315	13050	24650	8602	4570	6184	4841	0	4211	4844	6459	16817	34364	0	11403	14088	15234	9477	11815	8093	2587	7767	49318	4397	15646	0	4099	29564	Phytochemical	0.5217391	1.173913	0.04347826
22	C23 H27 O12 N1	510.1606	510.1613	0.041303635	510.1606	75644	66086	72938	56664	64970	71620	20204	47682	81564	180670	57288	25510	115654	37662	49498	33000	22578	112962	74004	112232	152654	107108	43242	57456	35450	86976	23230	37732	37728	37670	39144	31912	26710	30010	167128	37966	38118	26622	27832	106452	78042	28726	0	0	574	256104	274713	0	26780	38786	69066	66856	56234	834	104564	70236	35888	26756	43962	28628	44690	113222	83696	84496	25320	77482	40338	17662	82456	97506	90144	47452	26222	32876	27740	28880	642	38580	42994	55730	40342	170088	34046	70226	90916	53494	43382	29100	31594	23522	41272	44756	68064	67562	151896	0	55782	69182	72582	55460	62452	48706	24216	44382	204230	35790	74364	0	24290	99596	Phytochemical	0.5217391	1.173913	0.04347826
28	C23 H27 O12 N1	510.1606	510.1612	0.025865557	510.1606	5975	6416	5480	5724	4568	5542	929	2369	4916	18414	3783	0	11925	2558	3552	2712	0	6418	7768	18780	19562	9766	3106	3524	2486	7475	912	3321	0	0	1114	1311	3113	3105	17467	2640	3368	1766	1548	10980	12913	0	0	0	0	22052	31019	0	2962	0	4946	4778	4393	0	7969	4694	2061	2256	3237	1138	1784	8704	6931	5191	1634	5529	1380	0	9041	20052	15111	2765	1569	3292	0	1537	0	2858	3008	4217	3240	15166	1528	5864	6976	3804	4244	1639	1955	1421	2562	3898	2764	5099	10779	0	4930	6484	4710	2832	5187	3423	1793	3692	15281	1696	3534	0	1549	7881	Phytochemical	0.5217391	1.173913	0.04347826
26	C23 H27 O12 N1	510.1606	510.16122	0.06715167	510.16064	6471	7435	7937	5812	9061	8610	0	0	9919	24408	6739	0	18965	3432	0	0	0	11227	9293	19489	25006	9908	0	0	0	8788	2030	0	0	0	2511	0	3092	2505	22047	0	3614	0	0	15727	7441	0	0	0	0	32231	44568	0	3242	0	7654	6183	5981	0	11625	5984	0	2709	0	0	4971	9749	9682	6451	0	8984	0	0	11420	22839	14991	2876	0	0	0	2879	0	3220	4047	7045	4016	18462	0	7061	8437	0	4122	0	0	0	2482	4031	0	6473	11889	0	7695	10176	7711	4037	7759	0	0	0	20800	2789	6113	0	0	16702	Phytochemical	0.5217391	1.173913	0.04347826
12	C23 H27 O12 N1	510.1606	510.1614	0.06429537	510.16064	95065	69412	82161	78275	48424	40535	51573	82419	62423	188265	99096	52883	86395	24284	55104	55089	54825	78603	91639	174792	159356	174815	61109	73958	35558	52843	33306	72870	67271	58933	62321	64509	79833	52659	230296	58255	62526	55129	57461	149280	151667	43360	1585	0	0	170084	214992	0	60645	69850	76180	73612	41694	0	96478	52771	34670	66202	80444	90092	68699	108334	103026	63819	31413	65595	46138	60413	88507	82031	97817	65305	54300	64510	46072	57246	0	52550	61282	95250	43691	102625	56634	72051	60702	39999	54310	31703	42022	70544	50670	64369	76272	115662	116817	0	81047	94304	61436	38978	47771	68911	46591	84981	190247	62483	52938	0	47249	84002	Phytochemical	0.5217391	1.173913	0.04347826
18	C23 H27 O12 N1	510.1606	510.16132	0.032004293	510.1606	523516	465149	498227	485833	385006	361797	229708	455642	496371	1272611	573603	174211	736001	217383	382106	350849	177725	610123	578147	1884374	1046833	700955	387506	433445	362370	527447	196994	386014	341269	287484	390719	313845	414281	325168	1546984	382305	467758	279503	182017	961462	459568	229578	11710	0	439	1339871	870929	446	317321	336792	516584	472358	308783	481	718191	335981	198428	382297	435642	141777	284706	614261	691390	424894	204071	423638	291587	205785	455676	859553	567623	396141	297046	323084	208179	347310	301	264781	303073	330273	319864	856684	275614	461337	397168	275294	244261	184855	307814	167563	371115	487978	530138	528066	818047	906	555911	502766	409181	281030	275437	352045	221833	428469	782958	306863	313358	405	223308	615219	Phytochemical	0.5217391	1.173913	0.04347826
26	C29 H28 O4 N1 S1 Na1	510.17096	510.1716	0.63781595	510.17126	0	0	0	0	0	0	0	6825	0	0	0	0	0	0	6416	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9153	0	4117	0	0	0	1904	0	0	0	0	39325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3748	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.13793103	0.9655172	0.03448276
12	C22 H27 O11 N3	510.17184	510.1726	0.06003679	510.17188	41241	37710	36528	33155	18472	16679	35849	44057	21859	36598	18766	28611	23337	6813	34583	32659	32746	23268	34457	43234	31876	76498	38162	60070	28189	6792	18861	0	41878	28192	35394	39573	46629	34774	62041	32506	47769	31683	43460	34857	42142	19954	0	0	0	43520	50642	0	35530	35424	33653	44450	21841	0	34852	14500	10263	46666	55164	25733	29230	30761	35830	20104	13867	22186	25653	32974	0	18634	14116	34778	30381	28742	27904	29254	0	33447	35647	0	30838	38052	30211	13589	19333	14449	34439	19828	21322	48262	25958	40428	61030	18448	34450	0	35043	32815	16873	13366	11970	31678	27820	39350	26777	41529	18355	0	27510	42169	Peptide	0.5	1.2272727	0.13636364
6	C22 H27 O11 N3	510.17184	510.1728	0.090193085	510.17188	13038	16304	10836	11402	5803	4043	6050	13878	7121	7138	3510	8498	10314	2080	7448	14321	12919	10622	12518	6954	14248	19463	10750	15143	5502	733	4366	0	8276	8892	10620	9388	13913	11792	14396	12537	13890	8419	15087	8128	16318	6700	0	0	0	11535	17059	0	14598	12586	12379	10892	6575	0	12189	6807	5000	14194	9283	12310	15486	6877	16281	11868	4816	9103	9163	16047	2079	2562	3113	8882	9173	9493	6136	11171	0	6231	10692	4670	6075	6505	6402	3524	8607	4634	9748	7056	8090	24206	4245	8988	23635	9298	9062	0	10270	11915	4317	6873	8969	14331	7412	11462	7129	16008	5667	0	6989	13526	Peptide	0.5	1.2272727	0.13636364
14	C22 H27 O11 N3	510.17184	510.17264	0.11161171	510.1719	16695	13747	12950	13570	8010	10399	11328	31846	13921	9979	0	13381	18092	0	24217	19211	12962	14955	14949	16903	12379	33971	16712	22330	19608	0	12500	0	22334	16541	19417	16422	26250	11946	14657	22126	22507	17888	19642	22525	11273	8936	0	0	0	17994	13959	0	22525	18114	12636	13147	8353	0	22767	6332	7353	26371	37568	10633	0	15408	12742	12382	8914	9208	16717	13696	0	6575	0	21576	18255	17445	12138	17808	0	17165	16344	0	16408	11787	17870	7114	6661	7559	16066	13717	12429	20767	22389	26555	42972	0	12462	0	18417	14586	4818	5939	6025	22617	18034	24827	0	20510	4854	0	9925	16525	Peptide	0.5	1.2272727	0.13636364
16	C27 H27 O9 N1	510.17587	510.1765	-0.028597059	510.17584	185399	184585	173797	183053	128176	112179	75652	138613	149492	495710	162497	100663	183404	58565	141969	121892	71393	180314	187062	368569	324801	253439	143891	139464	117320	195384	70319	124052	139361	125658	152741	165912	147167	105609	577977	116830	163664	100675	61282	300982	139180	69545	1596	0	0	383628	300056	0	132095	137333	168173	160948	115016	0	175676	96527	74404	143780	175894	40724	101356	178545	220644	140799	68036	142683	116920	80451	170490	287881	210214	164051	136295	152890	60287	144951	0	99344	143730	120481	108086	290483	107188	150788	126773	82312	120130	59103	84018	0	106286	153403	0	179993	234939	0	177557	177369	131629	80023	86200	158245	96863	156972	261688	122012	117823	0	96669	186438	Phytochemical	0.33333334	1.0	0.037037037
26	C27 H27 O9 N1	510.17587	510.17636	-0.053794768	510.17584	0	2361	2681	0	2666	0	0	0	0	9487	5930	0	0	2807	0	0	0	0	0	6012	8410	4198	0	0	0	7575	0	5238	0	0	0	0	0	0	11716	0	1629	0	0	6825	8037	0	0	0	0	0	0	0	0	0	0	2511	0	0	0	0	0	2097	0	0	0	5667	5342	0	0	3240	0	0	19045	12870	20202	0	0	0	0	0	0	0	0	0	0	0	0	4825	0	0	2146	0	0	0	1986	0	0	6896	7489	0	3461	0	0	0	0	0	0	0	0	0	0	0	0	2819	Phytochemical	0.33333334	1.0	0.037037037
24	C27 H27 O9 N1	510.17587	510.1765	0.0738933	510.1759	5824	5349	3873	5842	5552	2562	0	1960	5127	30573	19716	1447	5092	3336	1699	4306	1816	3997	2999	15811	14716	10789	2078	1724	0	23964	0	16068	0	0	1384	0	2169	877	28306	0	3378	1310	1916	15276	24679	0	0	0	0	8976	16930	0	1382	1672	3865	5167	4114	0	3379	3963	2615	1206	3211	1947	2773	12309	7486	5272	2426	6198	4348	1462	27898	29119	41747	851	0	0	0	0	0	0	5387	8402	3145	11692	2104	12858	7309	0	2545	2145	1957	0	2935	3211	3816	10121	17326	0	4122	3937	5405	2564	4635	1939	0	3025	8878	2279	2475	0	0	4396	Phytochemical	0.33333334	1.0	0.037037037
20	C27 H27 O9 N1	510.17587	510.1765	-0.020515371	510.17584	15681	16153	11631	11792	12641	5897	3434	5196	9925	50625	41812	3301	9706	10524	5492	8421	4564	10928	15035	41739	45317	25710	4432	9602	3798	61012	2116	41231	4276	2035	3393	4101	5766	3554	61901	4502	7420	3332	5034	38663	35680	6987	0	0	0	18603	23475	0	2184	1856	10301	11440	8872	0	12225	8494	6182	4761	2006	5288	5532	22881	13306	6285	3919	10412	8755	4297	60137	83473	77267	5043	2692	2937	0	3427	0	3134	7901	23356	4460	15286	3733	30205	13655	5564	7926	8912	5765	6726	17454	12574	8391	24057	31549	0	15260	12749	9343	8643	6784	4437	1196	6193	13941	6612	7890	0	4992	11434	Phytochemical	0.33333334	1.0	0.037037037
10	C24 H31 O11 N1	510.197	510.19785	0.02533953	510.197	32420	40191	33506	29538	17082	15062	20366	37780	22103	62278	31148	19975	29496	12472	25511	28393	21629	24695	31149	63952	55288	58536	27539	71394	25302	31212	19700	24349	34280	31724	30371	33219	34581	27528	78760	35780	59748	21642	26596	55920	46512	15807	0	0	0	42224	45508	0	37714	32070	31821	33563	15862	0	33015	17184	10777	34872	36303	23646	50983	29910	22627	21480	10079	21182	18877	33285	28870	30653	32825	56540	30035	30190	22482	27842	0	21039	22848	17487	24226	25481	22837	25174	19059	11739	25013	14757	14479	30865	21485	35251	45797	29826	52360	0	35778	35438	17376	13628	12348	34633	22003	44781	23078	23895	15740	0	21895	21977	Phytochemical	0.45833334	1.2916666	0.041666668
14	C24 H31 O11 N1	510.197	510.19775	0.02108133	510.197	137717	133809	127059	129770	70858	71797	101504	173457	101059	240271	141666	85172	109159	51717	126870	157680	116791	125048	147969	288325	271066	192946	135018	172508	103532	181853	79265	129367	167768	148575	123627	169833	157962	120361	293074	157145	130778	94234	92565	192281	162089	90860	0	0	0	217750	193728	0	122028	155516	132808	122016	69660	418	141044	69951	54696	141635	207840	97615	192205	145934	104416	90965	49181	87676	74387	91205	166887	204370	162091	136184	129104	158403	106248	128058	0	108342	100258	140876	93656	117181	101512	124458	102362	75458	89643	69847	77495	107208	97287	152434	176229	101046	150027	712	135910	157926	78939	62787	73514	150916	87477	197114	195778	113628	83266	0	86140	98946	Phytochemical	0.45833334	1.2916666	0.041666668
12	C24 H31 O11 N1	510.197	510.19775	0.007981342	510.197	63327	62448	62221	60085	33620	30527	54393	203300	42480	111957	61785	44602	52597	17439	54914	58800	57172	49944	62800	131339	119812	109450	62844	83137	49480	70033	33409	38949	71734	65832	72777	59914	77318	55072	150632	136130	68017	51097	62743	109794	99537	36614	1457	0	0	104506	103622	0	73720	76844	64904	55203	34250	0	58041	34830	24608	81207	69650	55280	87635	71856	56027	49267	20018	43707	36414	56174	82090	85776	83748	60052	59594	71110	50979	55486	0	48868	52702	49947	41767	55362	50723	0	44254	29718	46215	27746	33128	77463	54023	61118	171050	50949	69771	503	65675	82912	44834	31277	36601	67792	41674	87936	74380	63596	37767	0	47663	57621	Phytochemical	0.45833334	1.2916666	0.041666668
26	C24 H31 O11 N1	510.197	510.19766	0.034420334	510.197	13707	9328	11097	12761	11229	9299	0	7143	14218	39477	8235	4455	21624	5752	7490	7467	0	19951	13971	34713	37170	14659	9249	12843	0	22235	0	5949	7862	0	6598	5982	6428	7120	31469	8538	8823	4220	5489	19372	17608	0	0	0	0	23416	27383	0	7681	0	14104	11653	9842	0	14312	8528	5322	8991	5705	0	6741	12427	17028	9751	4046	13852	3723	2321	21785	43525	29566	8719	7279	6650	0	4969	0	5680	8567	0	7014	15733	5787	11867	16683	7164	9431	5617	3797	1996	6219	9680	10088	3581	14141	0	12477	14828	10066	7872	8038	6545	2916	9616	14715	4768	8466	0	7045	21770	Phytochemical	0.45833334	1.2916666	0.041666668
28	C24 H31 O11 N1	510.197	510.19763	0.037138596	510.197	5324	5814	5973	3478	7572	4527	1155	3457	6333	18289	4037	0	12192	1441	3234	5344	0	9025	6231	22998	22801	4790	5240	5537	2148	14946	1363	3892	3213	3176	3095	3741	3626	5083	16557	2173	5439	4037	4659	10927	7055	4547	0	0	0	14513	14450	0	3640	4615	6068	8209	4414	0	7709	4138	1955	4096	2790	1060	4928	4610	9136	3003	1418	7362	3491	2419	14774	29714	21156	4314	3279	4292	3281	2410	0	2827	4430	1928	3625	6758	2453	7798	6907	3203	4882	1801	927	2816	3558	5688	4560	1854	5392	0	5181	4520	4469	4528	4080	3138	1493	4016	7589	2877	3940	0	2038	8692	Phytochemical	0.45833334	1.2916666	0.041666668
8	C24 H31 O11 N1	510.197	510.19788	0.072315805	510.19702	13608	16727	13556	19206	8624	8152	6538	18372	9556	32978	10564	9517	14604	4878	13932	13354	12020	13610	16241	27276	28130	61650	13041	18266	8680	8141	7144	6309	16975	12762	13593	17688	12940	13558	40351	13682	18449	10168	13415	20687	20079	8376	0	0	0	24909	23971	0	17827	14724	17606	16788	5882	0	16079	8849	5344	17630	13739	10037	18065	11851	14784	14964	4614	8995	9721	12957	10981	11341	18059	16340	13228	13754	7619	12449	0	9466	12619	8832	9769	22754	8870	14374	8307	3959	12707	7982	10813	36546	11782	17601	45952	16614	23077	0	19434	17329	7971	10092	7932	17071	6530	21752	9912	14308	6315	0	9344	17335	Phytochemical	0.45833334	1.2916666	0.041666668
20	C24 H31 O11 N1	510.197	510.19766	0.016867187	510.197	162399	0	162301	147167	147028	136022	72260	0	0	359616	134065	87492	244867	90593	150575	137769	68551	248717	238591	401774	377887	190611	0	164381	0	248887	73852	114296	162258	151721	149173	0	135692	0	375279	149296	152255	101394	64486	252364	125805	90765	6400	0	0	342070	265988	0	0	0	151783	0	123629	647	221964	135437	69886	139549	145520	57358	155073	173687	200835	0	73603	152927	0	64096	219901	344683	229260	158248	153518	161383	103081	120046	434	114526	121932	91200	0	173088	97708	195195	169859	106157	104681	79315	95832	60123	140900	155780	199596	114941	180711	1261	169768	192453	127826	95768	110138	0	83176	180655	232222	121394	130089	0	86563	222528	Phytochemical	0.45833334	1.2916666	0.041666668
24	C24 H31 O11 N1	510.197	510.19763	0.013763057	510.197	28911	25155	31020	22120	30546	26801	7876	26136	36374	72637	20145	13755	56445	14834	21752	21924	10730	0	47667	64129	66503	25160	23950	28555	12773	46466	6390	15025	21764	19282	19756	0	14539	21190	58185	20162	21995	16546	11257	43838	26705	12800	0	0	0	66365	66956	0	16638	19763	26610	27644	19050	0	44197	26269	11822	12609	19901	8050	23279	34884	40454	33456	9802	31782	19697	12342	38053	71360	48315	26652	21815	17264	11575	14695	0	18730	24700	14327	21520	36410	8915	31884	35554	15941	20961	12727	14790	13888	12331	16707	23371	16316	34274	0	24662	31965	25539	19112	18943	18303	10377	22729	41082	14835	29859	0	15137	51864	Phytochemical	0.45833334	1.2916666	0.041666668
16	C23 H31 O10 N3	510.20822	510.20898	0.08569054	510.20825	135564	124766	128747	132697	74947	65118	105849	168940	128361	290447	179738	94600	115485	46325	134160	129525	86607	99679	143072	274351	242949	138586	138745	171031	121919	165999	87462	157295	126129	122473	143459	141593	149465	118265	291616	148461	152075	121130	104967	16678	115673	81797	1311	0	0	171435	130708	0	159748	152430	152707	133235	77776	0	115234	85075	59424	145387	153218	77067	116382	96325	136121	99244	54648	77937	80482	100744	136675	185986	199992	155440	152281	175542	115260	125327	0	115165	129283	60879	99052	104389	110118	117380	90787	51378	113764	57410	81040	120906	145798	158439	157227	94358	135257	0	155924	140685	98054	75312	85525	143769	71850	168237	101457	111069	70339	0	116732	106753	Peptide	0.4347826	1.3478261	0.13043478
12	C23 H31 O10 N3	510.20822	510.209	0.047037482	510.20825	18019	17393	16803	22168	8082	8418	27922	33609	9023	19387	5981	11868	7817	2725	24616	13664	11491	11829	20835	21491	14704	28291	20651	24917	29086	0	13786	0	30358	16320	27547	20868	29414	18649	26726	19575	29433	25290	15176	17301	12222	11730	0	0	0	19403	0	0	24426	21312	18814	15754	8909	0	16024	6287	9250	29027	35806	9003	23416	11641	8612	8422	5189	10761	11933	19488	0	9178	4103	22471	20749	19212	11382	17152	0	16593	18444	0	14601	12570	23963	10459	7064	7705	22386	9038	11853	29546	29769	42343	53490	13313	10939	0	18948	22374	6569	4395	3272	22826	14198	24348	0	26981	6271	0	22758	13195	Peptide	0.4347826	1.3478261	0.13043478
14	C23 H31 O10 N3	510.20822	510.20914	0.09262296	510.20828	14808	15699	13157	11903	5783	6528	16337	20283	7706	8974	0	6212	7667	0	22722	18206	13682	11164	12179	13229	10164	22639	14953	21497	23340	0	10353	0	22447	14750	16187	21445	24592	14468	18261	18686	25397	17186	9957	14746	0	12600	0	0	0	13525	0	0	17544	15861	18915	11639	6633	0	13954	2483	5631	24176	24572	0	0	9079	8693	6425	5935	5618	7539	8928	0	6414	0	17298	10817	21701	10107	12200	0	14932	13382	0	13517	9593	16760	4929	6109	0	11585	6213	10520	14340	23917	37591	46234	0	11078	0	11868	20412	0	3830	2632	23662	9412	18040	0	16504	4820	0	16529	10266	Peptide	0.4347826	1.3478261	0.13043478
6	C23 H31 O10 N3	510.20822	510.20917	0.081214204	510.20825	9209	11687	11338	13362	5160	4962	6879	11931	5970	11725	3527	5833	7668	1839	10479	13625	9377	6303	10320	7275	9045	17623	10709	15076	8974	1153	5436	2416	10054	7662	11756	13082	15660	11620	13215	12637	14910	8042	13335	9123	9175	6171	0	0	0	12498	11303	0	12795	9010	11493	10894	4954	0	9002	4253	2670	12027	9983	8113	17446	4196	8349	7240	2393	7566	7545	12545	0	2349	0	11839	10200	9312	3941	9193	0	8282	9658	4644	7370	5112	6638	2911	2359	3284	10130	5817	7970	18858	19460	18330	25058	6388	9862	0	13641	10527	2714	5849	5705	12096	7797	13281	0	11860	3378	0	7286	8715	Peptide	0.4347826	1.3478261	0.13043478
20	C28 H31 O8 N1	510.21225	510.21292	-0.011596838	510.21225	12454	11388	15875	11262	6051	6352	5453	8266	7320	22564	32636	4662	5092	8456	8173	11223	5447	7666	11776	41476	31706	15369	8047	8663	8515	65139	5446	30544	3913	7028	4659	6311	6761	8931	32156	3708	9838	3654	8310	29331	36105	6930	0	0	0	13290	15303	0	6454	5224	11839	10325	6070	0	4233	7645	4288	11790	3697	6324	12010	16564	8922	4607	3013	6558	7319	10765	47686	61912	85342	7447	4621	3584	5026	4798	0	3763	8212	16421	6726	7734	5178	25754	10641	2785	11661	8037	8457	18472	19980	13975	15733	13334	13753	0	8530	11353	8375	6851	6619	6478	5771	11944	8071	12395	7091	0	9564	9134	Phytochemical	0.2857143	1.1071428	0.035714287
24	C28 H31 O8 N1	510.21225	510.21286	-0.045445744	510.21222	9250	10694	8072	8344	8722	4713	0	10081	6687	24096	34829	3206	4717	5519	2509	5227	4999	6514	5922	32463	26748	11001	3733	8538	3095	47258	2408	27717	3618	4956	6198	4652	6503	5253	21854	4737	5810	3703	2894	25278	24568	6695	0	0	0	18494	19599	0	7558	5665	7667	7483	8122	0	4382	5643	3169	8538	3389	3510	7807	18449	5415	3501	2966	8199	7661	3147	43878	39564	55810	2668	3867	3373	1882	1845	0	2925	7357	11277	4123	10151	2698	16652	8173	4767	6602	3471	4584	9408	4503	8678	10473	15582	14303	0	13785	6181	6652	3616	5302	8052	1426	6225	7780	7450	6134	0	5856	6865	Phytochemical	0.2857143	1.1071428	0.035714287
22	C28 H31 O8 N1	510.21225	510.21286	-0.07561697	510.21222	7969	20080	13286	14912	11983	7614	5378	6554	9380	39018	40832	3118	10467	7607	5245	12604	6863	8257	10647	38425	29567	18860	9341	16021	7755	73024	5947	41367	7942	7007	8420	9991	8585	6977	36569	5453	8525	5236	5634	34214	37364	9818	0	0	0	18428	21297	0	9790	6374	13039	14927	11968	0	7527	9326	5633	11946	7431	9935	13736	24860	10778	5686	5279	8355	9165	6868	67140	64986	87672	9656	5242	4248	3646	6493	0	5813	8555	14245	7127	12985	5465	26103	12798	7322	15116	7734	8526	20344	15878	17466	23628	19996	18506	0	15481	16863	7830	11298	6116	9815	3686	9792	14820	11949	6852	0	9270	8638	Phytochemical	0.2857143	1.1071428	0.035714287
26	C28 H31 O8 N1	510.21225	510.21283	-0.040024135	510.21222	4000	3167	0	3096	2518	0	0	0	2730	9017	11626	0	0	1915	0	0	0	0	4860	9464	13709	0	0	0	0	17781	0	9273	0	0	0	0	2130	0	7359	0	2874	0	0	6089	14023	0	0	0	0	0	8750	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3538	0	0	0	3149	3845	2320	20565	16336	29109	0	0	0	0	0	0	2817	0	0	0	3794	0	6376	0	0	0	0	0	1962	2155	2621	0	4265	0	0	3302	0	2944	1972	0	0	0	0	0	1857	0	0	0	3056	Phytochemical	0.2857143	1.1071428	0.035714287
4	C22 H31 O9 N5	510.21945	510.21985	-0.057876863	510.21942	1356	2254	2360	1186	0	2101	1045	1342	1821	0	0	1365	1417	969	1446	2048	0	1551	937	0	0	1972	2054	1989	1066	0	1046	4225	0	1502	2054	1192	1808	1655	938	1749	1828	1543	3965	0	705	578	0	0	0	0	0	0	1619	1745	1655	1834	940	0	1352	827	479	2166	723	768	0	0	1126	964	999	1055	508	2981	0	0	0	2210	1915	1732	0	1344	0	1357	956	37446	1447	0	356	0	916	945	1813	1029	933	4047	15129	7789	3101	2125	0	0	2026	1615	1591	830	1628	1019	1383	1547	0	1434	982	0	1201	1721	Peptide	0.4090909	1.4090909	0.22727273
8	C22 H31 O9 N5	510.21945	510.22015	0.21762757	510.21957	4417	2570	3150	2866	1016	0	3105	5129	1569	0	0	1035	2277	0	3032	3538	2030	3362	3021	2410	1262	3285	3074	2576	2293	0	2430	3253	4988	2196	2529	0	3669	3511	5484	3241	5397	2198	2911	2643	0	0	0	0	0	0	0	0	3179	6561	2766	2383	850	0	2345	821	1525	5760	2295	1597	0	0	1576	2164	0	2197	0	0	0	0	0	2837	3714	3422	0	2126	0	2120	1317	19871	1968	1208	1529	0	1522	0	3011	2304	1689	2415	24073	14214	8251	2320	0	0	3901	5042	0	932	0	4154	2017	0	0	3627	0	0	3060	1790	Peptide	0.4090909	1.4090909	0.22727273
28	C25 H35 O10 N1	510.23337	510.234	0.002341421	510.23337	7169	5975	8526	6476	7754	5154	2860	7876	8287	20590	5646	3153	16466	3387	3850	9788	2984	8307	11598	23856	24868	4691	5414	7660	2984	22483	2420	6938	4533	4870	5028	6351	5554	5863	17662	5322	7197	3866	3582	10259	7691	2938	0	0	0	9092	11398	0	6003	5524	8260	6427	5862	0	7759	6591	3028	6224	2735	3022	7443	6669	12703	5805	3094	10378	4169	2849	17759	37863	32614	7465	3525	5283	2558	4716	0	4348	7473	0	3553	4493	4836	7738	7672	3215	4436	3280	3804	4109	6228	7411	7909	3480	5215	0	6452	7310	4875	4656	5717	4297	3475	6939	7634	5645	3327	0	3825	11815	Lipid	0.4	1.4	0.04
12	C25 H35 O10 N1	510.23337	510.23416	0.03804644	510.2334	23909	23454	20184	28222	16028	12836	24024	46300	16168	36074	14401	19783	20878	6198	26669	28860	30634	17335	24632	44408	39634	34754	25297	40347	21976	26203	14411	15063	35513	27037	26200	29332	37982	24754	54550	31288	24577	22404	34633	37718	27627	14980	411	0	0	43786	21604	0	29143	35602	21312	25100	12734	0	24596	14681	11329	25622	22164	23198	18850	23327	19994	17535	7722	15564	18645	29138	17488	35810	26823	27620	27234	31882	20707	28043	0	22358	25056	20347	20067	19233	24203	17846	15671	10812	21899	8723	17275	36264	24499	30084	43221	17291	22241	0	26609	33229	9608	14070	14193	29399	21964	42362	0	29246	16521	0	27051	21031	Lipid	0.4	1.4	0.04
10	C25 H35 O10 N1	510.23337	510.2342	0.05119559	510.2334	14908	16312	16879	13302	7361	6196	10830	23077	8886	24121	10633	11672	13458	3016	12817	13676	8558	8550	13378	27895	22806	19997	12436	23151	14609	9580	10502	6747	16505	18565	16536	20637	21334	17380	33583	19449	21001	12187	16843	27646	17064	7366	0	0	0	20275	12887	0	20754	15265	13791	15470	6252	0	13757	6008	5027	16928	9298	8273	20547	13026	8894	7550	3672	11917	8713	15101	8929	20506	14140	16311	19035	15215	9578	13336	0	11572	13343	7950	9744	10223	10575	10653	10478	5176	11147	4929	7578	19536	19072	22719	28414	10081	15842	0	14054	18073	3265	6274	7344	16128	9626	20982	0	15373	4829	0	12189	9850	Lipid	0.4	1.4	0.04
24	C29 H35 O7 N1	510.24863	510.24927	0.019806048	510.24863	12673	14167	13822	12911	6882	4645	2558	10144	6290	14227	28718	7305	6443	7863	4573	15154	7915	7345	8923	22027	23525	13941	7822	13810	9826	55684	3432	28925	10152	9179	7527	8677	9146	11980	13544	10130	13081	6303	11302	24415	28635	8409	0	0	0	16104	14128	0	11000	7389	11486	9350	10027	0	6198	3270	3323	15869	7286	9418	17192	16273	6966	8047	4348	5606	8925	12013	53835	37283	50873	10077	8337	8210	4472	9144	0	4791	10040	10525	7803	9672	5920	18209	7077	3902	13560	7165	8928	18083	14187	16665	25042	10914	10244	0	10417	11097	5874	7020	8832	12406	4767	15251	6347	10528	5121	0	9184	6373	Phytochemical	0.2413793	1.2068965	0.03448276
26	C29 H35 O7 N1	510.24863	510.24918	0.002953458	510.24863	6180	4984	4560	4547	4628	0	0	0	3336	4750	12747	3974	0	0	0	0	0	0	6307	13947	8233	4332	0	0	0	27968	2132	16272	0	0	3683	4895	4309	4460	3869	0	3735	0	4422	10099	13896	0	0	0	0	6773	0	0	3546	0	5687	3871	5958	0	0	0	0	4748	2651	0	5696	5487	2598	0	0	2453	6008	4819	31507	19608	27034	5346	5251	0	0	4558	0	0	7434	0	0	3407	4416	10992	0	0	5604	3177	0	5126	4564	5286	6704	5800	0	0	4798	0	0	2995	6428	4939	0	0	0	3982	0	0	2968	0	Phytochemical	0.2413793	1.2068965	0.03448276
8	C23 H35 O8 N5	510.25583	510.25723	0.30810496	510.256	933	1167	1241	0	1093	1688	0	1487	0	0	0	0	892	1749	1464	0	0	0	0	0	0	0	0	1003	2207	0	0	7914	0	810	828	0	1458	0	0	0	0	837	0	0	0	0	0	0	0	0	0	0	0	1147	1171	2434	0	0	1057	606	615	1343	0	0	0	0	0	0	0	1402	0	0	0	0	0	1039	1648	0	810	0	0	0	0	78311	0	0	0	0	0	0	0	858	0	0	51831	16715	2919	2654	1657	0	2454	1518	0	0	0	1619	0	0	0	890	0	0	0	0	Peptide	0.3478261	1.5217391	0.2173913
4	C23 H35 O8 N5	510.25583	510.2564	0.16596888	510.25592	0	1248	1067	957	527	1752	533	480	0	0	0	0	1084	0	768	1074	0	661	0	0	0	614	431	609	275	0	0	7020	1048	760	0	691	1000	0	0	0	832	0	0	0	0	0	0	0	0	0	0	0	0	566	902	0	0	0	346	341	0	871	0	0	696	0	415	396	0	0	0	0	0	0	0	526	378	1068	0	679	0	470	0	26632	657	0	0	0	365	407	0	0	0	890	36635	12143	1502	2294	0	0	891	1244	0	543	486	1089	615	0	0	489	339	0	460	11196	Peptide	0.3478261	1.5217391	0.2173913
16	C26 H39 O9 N1	510.26974	510.27048	-0.019326309	510.26974	25898	38188	34870	26639	11202	10758	30028	46667	12714	17346	15740	25048	12778	9661	32143	52101	65014	20359	29643	31992	31232	29370	34922	44206	34694	33014	27167	16611	39023	39231	38297	43234	40348	24677	15024	40800	34227	25554	55861	24696	22049	19421	480	0	0	20561	26650	0	44577	44449	26248	18793	17242	264	23236	15123	14348	39088	20962	23285	54583	10193	14133	12200	9887	13505	20178	49891	27191	34415	31964	25136	34525	44724	47629	29646	0	19127	25889	17576	24230	13902	23751	16737	19781	13465	29653	18797	19658	53392	32049	21704	53358	11678	19497	0	36017	39931	11409	12627	21655	48179	22534	38098	12140	36456	17503	0	29154	12553	Lipid	0.34615386	1.5	0.038461536
14	C26 H39 O9 N1	510.26974	510.2705	0.04890228	510.26978	14404	11806	8114	12122	3974	5823	19190	21874	4179	8239	5963	10383	4451	3983	11493	18146	19923	3703	7149	12012	13003	7034	12760	22026	11940	7733	12477	8272	18228	12564	10512	15943	21657	9536	12743	21673	19303	9381	25175	6401	6375	6504	0	0	0	10697	7006	0	16786	14233	11277	12049	6583	0	6893	3230	4698	18769	0	7841	0	3641	2936	2414	3714	3550	8005	33780	0	9556	10886	10147	12232	19893	18166	13121	0	9111	13066	0	9360	2744	4288	6037	5458	6946	11937	10489	6525	37929	21699	10094	27256	3129	10110	0	8721	12475	2749	6117	7878	24826	8831	19889	0	14518	5248	0	10737	4714	Lipid	0.34615386	1.5	0.038461536
28	C26 H39 O9 N1	510.26974	510.2704	-0.031767298	510.26974	7566	5254	6796	7489	9356	4280	2362	4907	7375	14536	4726	2008	11020	4652	4643	8190	3962	7781	12213	14162	17003	6703	4292	5855	2573	18486	4023	7050	5820	5762	3478	5297	9322	6149	17710	5065	8362	4203	4134	6833	5575	3590	0	0	0	6082	4050	0	5981	4103	6912	6515	5071	0	10484	5620	2221	7732	2992	2083	9722	4638	11555	7596	1314	9982	5532	3176	15349	32259	28124	4598	3919	5801	4526	3414	0	4114	7083	2936	2589	2576	3220	5189	6492	2935	7340	3688	3938	4858	6666	6110	7241	2125	4681	0	6300	5134	4087	9781	7819	4031	1247	5628	3143	5152	4445	0	2369	11454	Lipid	0.34615386	1.5	0.038461536
12	C26 H39 O9 N1	510.26974	510.2705	0.06642651	510.2698	4344	7043	5078	6586	1790	2591	7952	8228	2092	3370	0	4942	3223	1241	6447	11575	10777	3745	3636	8398	6709	7175	4852	6191	8234	3634	6667	0	15903	9838	10252	12411	14138	4602	8665	7573	13806	4599	14377	5001	0	3014	0	0	0	4903	0	0	6612	6616	6349	4088	2970	0	3036	1188	1375	6375	0	0	0	0	0	2142	1294	1832	4444	17023	0	5417	5364	6520	7171	6586	7627	7165	0	4158	5793	0	3468	1199	2869	2697	883	2905	5743	2337	4376	24452	11935	7617	20298	0	2922	0	3093	7411	1341	0	1861	6644	3767	7498	0	7990	1570	0	6296	3952	Lipid	0.34615386	1.5	0.038461536
28	C30 H39 O6 N1	510.285	510.2853	-0.044445932	510.285	927	1163	1033	0	0	0	815	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1200	0	0	0	2953	0	2104	0	0	956	1202	1697	1965	0	0	0	0	1057	0	2139	0	0	0	0	0	0	0	1027	0	901	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1159	896	2871	1027	1476	0	0	0	0	1086	0	0	0	10842	0	0	0	1127	0	0	2159	0	0	1703	0	0	0	24055	0	0	1055	0	0	946	0	0	0	0	0	1064	0	0	0	0	Phytochemical	0.2	1.3	0.03333333
20	C27 H43 O8 N1	510.30615	510.30676	-0.07320328	510.3061	17732	14386	17408	17113	14509	10219	20252	20958	18972	3290	8206	16990	11168	7216	18438	29035	36107	20577	27845	10499	10634	11978	19946	20281	21352	15398	19684	7802	31223	26611	18216	28094	23582	18453	8221	30840	29612	18267	32905	6233	6289	20090	2167	0	0	13166	19053	472	19398	22418	17472	17522	14485	0	18470	18403	13410	25885	15948	12204	25147	7221	15159	11158	11951	16038	13609	32618	11925	8940	18695	12488	20912	28126	31146	25457	0	15096	22077	11153	16367	5345	13242	0	26042	14501	22675	12801	18331	25477	25665	23780	26802	3165	8671	0	18296	21788	11092	20783	23971	40664	14090	25799	8196	20790	20928	0	17906	10672	Lipid	0.2962963	1.5925926	0.037037037
20	C30 H48 O2 N1 S1 Na1	510.33762	510.33884	0.55513346	510.3379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1029	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27822	9348	0	1478	0	0	0	0	0	0	0	0	0	0	0	0	0	0	271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39671	8432	0	0	0	0	0	Organosulfur	0.06666667	1.6	0.03333333
14	C28 H47 O7 N1	510.34253	510.34332	0.33538476	510.3427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20570	0	1836	0	0	0	0	0	0	0	0	0	0	2838	0	0	29383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2740	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.6785715	0.035714287
24	C29 H51 O6 N1	510.3789	510.37946	0.1132095	510.37897	0	1387	0	0	0	0	0	8805	0	0	0	0	0	0	0	3018	1518	0	0	0	0	0	0	0	0	0	0	0	3261	19440	7587	5085	0	8004	0	8998	1184	0	0	0	0	0	0	0	0	0	0	0	4841	21026	0	1070	0	0	0	0	0	1594	0	0	2899	0	0	0	0	0	0	0	0	0	0	22122	12908	15396	1318	3232	0	865	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.20689656	1.7586207	0.03448276
14	C21 H18 O15	511.07184	511.07285	0.2325967	511.07196	2075	4267	2589	3325	11135	4190	0	1496	16154	0	0	2465	25525	3672	0	0	0	8220	7630	0	2718	4796	0	0	0	0	0	0	0	0	0	0	0	0	2160	0	0	0	0	0	0	1381	0	0	0	1857	6289	0	0	0	0	3117	3600	0	4860	16399	3595	0	0	0	0	2587	33384	15811	5145	14637	3132	0	0	0	0	0	0	0	0	0	0	1173	2654	0	3289	3257	0	0	17218	3787	0	0	3655	0	0	0	0	14109	2993	0	2472	2381	13654	26279	21063	0	0	0	0	0	9106	0	0	23823	Phytochemical	0.71428573	0.85714287	0.0
18	C21 H18 O15	511.07184	511.07275	0.28868675	511.072	3795	1927	3252	3311	11204	6544	0	0	8228	0	1819	0	35867	4229	0	0	0	12137	9175	0	2978	8924	0	0	0	0	0	0	0	0	0	0	0	0	3697	0	0	0	0	0	1582	1523	0	0	0	2596	11981	0	0	0	3050	3152	7179	0	12471	10576	3791	0	0	996	0	1384	39340	13880	5275	14208	2031	0	0	0	0	0	0	0	0	0	0	0	3125	2468	0	4147	0	0	19120	2859	3114	3609	3489	0	0	0	0	11967	7082	0	2336	3444	11194	23544	11564	0	0	0	6507	0	9590	0	0	28229	Phytochemical	0.71428573	0.85714287	0.0
16	C21 H18 O15	511.07184	511.0729	0.28022963	511.072	2342	3122	0	2952	16894	3538	0	0	18391	0	2142	1087	30608	3224	0	0	0	7223	10851	0	2993	6938	2914	0	0	0	0	0	0	0	0	0	0	0	2691	0	0	0	0	0	2206	3265	0	0	0	3555	10064	0	0	0	4040	2532	6607	0	9868	15641	5295	0	0	0	0	3093	33968	15648	4022	11516	4624	0	0	0	0	0	0	0	0	0	0	0	2512	6079	2662	5223	0	0	16566	3065	0	2328	4258	0	0	0	0	15327	4751	0	4164	2218	12606	26006	18823	0	0	0	6015	0	11601	0	0	28619	Phytochemical	0.71428573	0.85714287	0.0
12	C22 H22 O14	511.10825	511.1091	0.16664436	511.1083	30014	31252	27267	28198	40684	22803	6197	8799	54989	31679	30070	10225	67247	13036	11613	12238	8246	45690	44163	24851	36591	70456	20152	11695	3905	0	9249	0	6819	5964	6396	8009	15038	6183	44526	4508	11817	14884	10401	16071	32438	16992	0	0	0	43677	118800	0	8097	8643	24997	30107	26388	0	50891	46252	21880	11076	11468	14486	0	26363	90630	43736	17145	53501	19040	10553	0	4452	11996	7289	6718	4871	8758	6442	0	13564	24076	34526	21019	48257	3244	5402	57174	17098	23679	16130	18550	12370	3295	11755	12001	78469	44350	0	29147	31097	54174	53745	50016	15239	12446	7197	63898	10479	42736	0	5943	71807	Phytochemical	0.6363636	1.0	0.0
14	C22 H22 O14	511.10825	511.10904	0.11698932	511.10828	84104	72786	78062	96174	128184	82372	16818	26018	162536	78280	64168	30882	265128	41772	44350	22220	16238	152886	140432	63050	134396	238178	63784	26330	10366	3434	17058	20580	17122	25372	19666	28994	34316	15976	156082	20926	33314	47812	16346	65358	102592	43064	0	0	0	147932	312508	0	16936	17972	75930	73090	82506	0	150010	121676	55812	23370	35982	21026	0	56416	277594	142326	51418	174462	68926	20978	0	16876	40822	25836	21812	15798	19342	16150	0	30256	73292	110862	60652	170640	11404	12874	138566	78450	59252	51642	64904	25728	18102	44408	41100	239508	119460	0	78910	62044	123772	150102	118442	37538	36382	34166	234684	35632	111282	0	8874	258044	Phytochemical	0.6363636	1.0	0.0
22	C22 H22 O14	511.10825	511.10907	0.2994652	511.1084	4367	5294	5572	3477	7443	9081	0	0	12679	10567	0	1787	12088	0	2369	0	0	13094	8241	3234	4387	16593	2493	2378	1531	0	0	0	0	0	0	0	2292	1897	7443	0	2445	3386	0	7522	5447	1831	0	0	0	21814	38716	0	2027	0	4519	6967	7255	0	11667	9464	4173	2415	2649	0	0	6884	18574	14034	2397	10971	3870	1705	0	0	2207	0	0	0	0	1146	0	1673	3358	9243	3222	29387	0	2226	11327	4385	0	2554	2660	0	2095	4464	2060	21234	8220	0	6262	3808	9540	7846	8388	2281	1802	2432	30840	2202	9513	0	1858	18903	Phytochemical	0.6363636	1.0	0.0
16	C22 H22 O14	511.10825	511.10904	0.14790827	511.1083	35613	35435	37129	44996	61886	42754	8476	7550	79024	36596	25081	12697	108524	19781	19318	17012	4022	91281	71711	29231	47140	85514	33472	16392	4585	2472	6469	8371	10053	4400	9850	7084	17107	6630	61788	5738	23933	17234	5245	37141	32459	20295	975	0	0	74503	139761	0	7800	8291	33295	33693	40367	0	81092	58878	29230	11696	15815	10080	8006	33721	126588	68272	24203	76864	30351	7350	8564	8460	18344	10474	8767	5894	4205	8117	288	14286	32358	58755	25464	104869	5160	7420	56468	24780	20254	18334	24842	0	7415	19361	0	89434	56908	0	39349	36261	57889	57580	56694	12299	14964	8649	115593	13282	49984	0	10094	127946	Phytochemical	0.6363636	1.0	0.0
10	C22 H22 O14	511.10825	511.10913	0.18121599	511.10834	13834	12208	11332	15044	28125	10985	4257	4529	25678	24134	14820	5846	36765	4887	4778	7274	4713	22110	22486	7897	13505	33438	7407	4132	1712	0	3524	0	2414	2440	3933	1462	5701	1774	31925	2388	5395	7171	7069	5521	29433	3692	0	0	0	11821	48213	0	4438	2421	14318	14286	12384	0	23361	28373	10188	2984	3188	6807	0	7400	44313	25166	10703	26730	9815	11096	0	0	5852	2721	2092	2974	9028	3561	0	4959	13021	15151	9135	17551	1655	1700	35736	14445	10669	8561	7714	8057	0	2296	2758	32149	19616	0	12899	13146	22476	39531	36547	5652	7027	3645	14965	4600	19895	0	2808	33047	Phytochemical	0.6363636	1.0	0.0
10	C21 H22 O13 N2	511.11948	511.1204	0.17624632	511.11957	6275	6823	4700	6255	8868	5076	1073	2537	10063	6251	4912	5410	18356	0	5314	2576	8112	9137	9245	4316	12882	14571	6101	5152	0	0	0	0	1589	3123	2186	3610	5953	2603	8349	2747	3805	1757	4299	6465	14891	4644	0	0	0	10013	37453	0	1654	2443	6722	6350	4805	0	12363	6459	2925	2588	2635	7635	0	8137	26534	14100	4586	9448	4287	8287	0	0	0	3068	1762	1369	4089	1929	0	4647	3192	5430	3464	10433	1604	1692	11529	3919	4098	6152	4716	6434	0	3375	4557	20974	10052	0	8855	9130	5049	9530	9221	3851	3360	2948	16636	5295	5697	0	1586	17214	Phytochemical	0.61904764	1.0476191	0.0952381
8	C21 H22 O13 N2	511.11948	511.12042	0.18120217	511.11957	3740	5775	2749	3948	2980	1280	0	1958	5236	2340	1952	2322	8911	1308	1595	1574	1364	4021	6299	1936	4245	10611	2214	1197	0	0	0	0	851	1022	0	0	1875	1274	3463	0	1712	722	2074	2196	7766	2036	0	0	0	4554	22706	0	1020	1490	3100	3731	3183	0	6103	5370	2306	1632	1300	3861	0	2429	15386	6402	1765	4784	2294	2954	0	0	0	1076	2014	1385	1958	978	0	800	1706	0	2096	5841	922	1451	6882	0	1310	3763	1658	3886	0	0	3325	5099	4013	0	2110	2366	2404	6609	5099	1842	1849	1620	6658	1930	5401	0	882	8181	Phytochemical	0.61904764	1.0476191	0.0952381
14	C21 H22 O13 N2	511.11948	511.12033	0.19163959	511.11957	7324	11532	10156	6556	8000	4397	0	3989	16758	7298	3332	7328	22684	0	2125	0	9364	13578	13610	9080	16647	22467	7642	0	1180	0	2152	0	6092	3683	4155	0	5344	3880	11456	3168	4772	4173	4481	9604	19728	5530	0	0	0	27170	63246	0	3476	2009	6753	7696	8219	0	13014	9960	3898	4284	0	0	0	12224	31315	15044	6257	10599	7157	6660	0	2313	3147	3912	4289	1725	3465	3308	0	5811	5970	0	2308	21119	2247	2101	13235	3863	5316	6649	9224	5771	0	2358	8154	23719	9114	0	10589	11241	6033	9916	11176	6614	7134	3713	36181	7636	6969	0	3935	22355	Phytochemical	0.61904764	1.0476191	0.0952381
12	C21 H22 O13 N2	511.11948	511.12042	0.2805197	511.1196	13365	8429	7045	9890	8455	6516	0	5047	12087	6346	7805	6935	18472	1327	4695	3415	6712	13322	17662	6967	14283	25684	7067	4503	2337	0	2042	0	2813	3438	4930	2107	8698	3563	10374	2814	7437	4991	6945	7550	32025	7896	0	0	0	28368	57587	0	3687	2543	7615	11407	7207	0	16651	11860	5859	0	0	0	0	11328	29823	14164	4618	15651	7771	6753	0	2471	3962	3310	3781	2188	5945	2799	0	2795	5014	0	5944	23230	2810	3288	13450	4171	3027	5736	6026	8986	0	6099	11519	18866	9426	0	8097	10397	8436	13735	9272	9046	5740	2908	26393	6790	9766	0	2472	24844	Phytochemical	0.61904764	1.0476191	0.0952381
16	C21 H22 O13 N2	511.11948	511.12036	0.26321617	511.1196	4396	3157	5563	4747	5564	4406	1011	3304	7956	4037	2611	2236	14599	0	5555	3641	2248	8734	8184	2889	7609	15911	4314	0	0	0	0	0	1782	0	2174	0	4786	1345	5699	3242	3159	3456	1781	6891	7836	4582	270	0	0	17745	36912	0	0	1485	6845	2698	5919	0	7420	7629	1990	2764	0	2505	0	10185	19383	9132	3191	4792	5951	2707	0	1766	0	3786	1889	1760	3309	0	0	3608	4757	9356	3626	22819	0	1894	6676	4850	2917	3442	5964	0	0	4729	0	11308	6644	0	5506	5695	5359	5380	7219	5032	1187	3796	32734	0	4774	0	2589	16896	Phytochemical	0.61904764	1.0476191	0.0952381
24	C26 H22 O11	511.12347	511.1241	0.09561848	511.12354	13424	11416	13284	16780	20619	12365	2487	0	26210	60419	17796	0	35412	7823	5071	3055	0	21733	27587	31423	28546	35247	7366	4234	2056	25839	1407	9377	2879	0	0	0	2084	1154	76935	0	4407	3497	3174	15641	16453	2691	0	0	0	15852	20097	0	2693	0	14209	15140	12875	0	20331	14867	6999	4225	2715	1239	3252	10954	37390	20189	8413	23428	4233	2315	30829	47117	46484	1168	0	0	0	0	0	1222	14261	21032	13071	14099	2600	15069	30262	16036	6714	3270	5389	5066	4749	7179	4772	36637	47283	0	14170	13290	18151	24340	25671	1891	1595	2721	12968	2179	19903	0	4360	32903	Phytochemical	0.42307693	0.84615386	0.0
20	C26 H22 O11	511.12347	511.12418	0.10377154	511.12354	27131	32762	27736	30431	39168	23960	8660	5821	59962	114213	75330	6128	51574	26504	11484	7254	3868	40999	44510	61461	77907	63259	12758	8400	11310	68380	5545	46189	3694	1689	3131	1524	7515	2119	164661	0	8529	9568	4344	44300	35920	10129	1156	0	0	47729	52476	0	3345	2342	31869	32415	27871	0	41001	34860	17529	8019	8406	8791	6661	25926	68332	41247	16265	46196	19979	5430	63468	90619	96293	1763	0	1748	2425	3698	0	4437	21192	48125	21475	41074	9864	44748	50323	25336	16047	10484	12729	10258	19620	14813	9242	69270	80327	0	26099	24006	41939	40938	36063	3385	4153	8483	32454	6554	30904	0	9739	55940	Phytochemical	0.42307693	0.84615386	0.0
16	C26 H22 O11	511.12347	511.1242	0.06395217	511.12354	14065	16668	12639	14249	20172	8681	3132	2690	18972	77285	45102	2555	22286	9892	3821	3206	2125	13730	20557	33715	33261	33968	9338	4190	3628	35486	2877	23633	2562	1465	2899	0	3624	1599	94321	0	6623	4671	2868	17022	20117	2758	451	0	0	19853	25039	0	5691	2102	16990	14887	10557	0	18760	21040	5125	4894	5634	2019	0	8729	29737	14977	7215	24964	6132	0	38208	40263	59901	1695	2000	0	2826	2854	0	2777	12022	19853	11645	23982	4903	11698	22632	9530	10245	4347	7748	0	8051	6299	0	28908	40553	0	18145	11893	22043	23003	21006	3030	2806	5954	15262	0	16438	0	5955	20135	Phytochemical	0.42307693	0.84615386	0.0
26	C26 H22 O11	511.12347	511.1242	6.67624E-4	511.12347	7951	10124	9484	7470	12007	6670	0	0	16963	28853	11035	0	20167	5856	0	0	0	19500	17138	9228	18620	19533	6166	0	0	14935	0	5774	0	0	0	0	1964	0	34592	0	0	0	0	7551	6438	0	0	0	0	9123	10318	0	0	0	9166	8300	6442	0	12227	10467	4535	0	3309	0	0	4571	25999	13739	3773	12739	4273	0	16384	22928	31258	0	0	0	0	0	0	0	5756	14847	7697	8875	0	7122	16588	6568	3984	0	2864	0	0	4504	0	23440	39201	0	6681	8845	15279	18347	14964	0	0	0	0	0	9773	0	0	22299	Phytochemical	0.42307693	0.84615386	0.0
28	C26 H22 O11	511.12347	511.12408	0.08815666	511.12354	3598	4788	3076	4295	10719	4289	0	0	8430	15135	4820	857	14261	3312	0	0	0	10614	12669	6835	9911	11968	3548	0	2685	7943	0	3180	0	0	0	0	1522	0	21872	0	1394	1616	1006	5425	5483	0	0	0	0	5001	6748	0	893	0	5121	3842	4514	0	12394	7476	2002	1202	0	0	0	2578	13390	6702	3865	10119	2504	0	11054	13359	15257	0	0	0	0	0	0	1077	8369	9874	4556	3976	1190	3148	15874	3714	5051	1664	2531	0	1430	3670	0	12051	16055	0	5062	4207	7471	7346	12165	0	1335	0	2638	3017	6276	0	1496	11352	Phytochemical	0.42307693	0.84615386	0.0
14	C26 H22 O11	511.12347	511.1244	0.18223965	511.1236	4694	11697	5757	4181	9049	3574	0	0	8709	36023	21507	1434	10897	3502	1835	0	2378	6722	11049	10525	12731	13934	1653	0	0	17878	2537	13301	1438	0	1636	0	0	0	42705	1510	3392	2798	3236	4588	12393	1136	0	0	0	8980	11388	0	0	0	4090	3572	4456	0	4834	6948	2325	0	0	0	0	4452	8705	6702	2352	4403	3035	3936	15583	20250	30396	0	0	0	1784	2262	0	0	8396	0	6049	11015	1588	7741	9217	4162	5095	0	4061	0	0	0	2499	12385	21176	0	7347	4259	7005	8584	8841	0	1557	0	0	1964	8637	0	2780	9151	Phytochemical	0.42307693	0.84615386	0.0
22	C26 H22 O11	511.12347	511.12415	0.05856693	511.1235	22812	25543	22018	24525	35405	18499	4314	3089	41485	109510	51974	5483	34348	17988	5903	4934	1764	40555	37747	49350	50436	47566	10586	4249	8796	48639	6944	21974	1803	1255	2840	0	4500	1555	113891	1718	6020	4992	2591	35023	26484	7482	0	0	0	29792	35463	0	3655	2181	26494	24021	26113	0	38263	29722	12695	4007	7882	3267	4431	20602	53646	25743	15075	32823	15642	3179	53884	63495	67101	1956	1616	0	1438	2543	0	3650	22194	34315	16966	35070	4697	25089	43517	23853	21280	11197	7951	4575	9982	11900	6245	64590	67384	0	26615	17624	37487	38512	40172	5081	4650	4532	26161	4934	29973	0	5598	45516	Phytochemical	0.42307693	0.84615386	0.0
18	C23 H26 O11 S1	511.12686	511.1281	0.6538952	511.1272	453139	338403	470572	356054	671502	446852	70935	135692	859501	662176	355481	142394	1479549	169046	251493	79883	123535	909983	733459	574284	577139	1094165	296541	117924	87480	87165	53283	206392	65364	60792	111244	81877	210684	0	977269	39568	171190	201197	90623	481515	430669	162357	11705	0	0	1205205	1898419	0	108839	76126	400381	475600	491158	0	1078434	554645	241235	133177	195836	69545	144568	555801	1357386	648103	230950	694800	303791	105746	171443	346280	383299	84134	72824	45321	63718	65555	0	161944	332964	672255	296199	1519778	70017	213487	688718	302623	259704	220254	250213	61180	113019	342742	210530	977255	868482	0	490042	366211	770506	617706	478709	81962	193733	77488	1284910	153796	934696	0	63789	1249695	Organosulfur	0.47826087	1.1304348	0.0
12	C23 H26 O13	511.14462	511.14542	0.0999419	511.14465	64553	70987	65498	77878	40318	34371	38078	49616	61898	254522	91339	35440	61491	23399	37332	44568	34560	63711	63469	96867	103560	147118	48242	47929	21770	23172	34899	36602	35284	35055	43435	38081	57028	35624	322970	39156	48908	40785	43393	147912	110965	29715	546	0	0	264134	466556	0	47986	46228	63679	69708	31814	0	134104	39649	29418	53125	50830	37279	72345	68735	85866	100236	21821	59035	37112	45924	37465	43176	49571	45499	34554	37904	37942	33437	0	35495	52446	74475	43968	218966	26339	40851	101550	32403	35382	26398	28196	53697	28486	41310	46124	99850	206400	0	67911	75835	63102	43285	41256	54907	31252	46964	176928	41198	44801	0	32976	79904	Phytochemical	0.5652174	1.1304348	0.0
14	C23 H26 O13	511.14462	511.14542	0.11133207	511.14468	128586	99215	115663	119412	90706	70931	62188	95858	131766	250335	128090	60608	303764	40838	87268	79344	48532	131741	125633	185422	395562	251252	84145	80394	51559	41565	43232	79454	70877	69426	76051	71804	93547	65790	634898	70190	88007	80092	49421	145391	136567	54476	0	0	0	582518	324319	0	79293	76121	115134	112138	73835	0	136415	76749	54356	85534	119845	62973	86718	233776	323342	122605	45537	106800	75612	60118	60214	85388	83876	76807	71303	73706	46811	72888	0	61747	77157	141387	77064	461910	54888	73583	90234	60360	68736	56690	63799	56785	58863	83998	90145	184774	198538	482	121977	107925	88406	80283	70829	75850	54299	94232	380663	68225	77446	0	50471	146516	Phytochemical	0.5652174	1.1304348	0.0
22	C23 H26 O13	511.14462	511.14536	0.18742105	511.1447	19334	16267	20448	16477	15134	19947	6342	13022	22466	43213	9746	7097	30335	4946	10918	7482	2796	20948	21722	30789	29582	28461	12521	11804	11984	7733	4018	8809	8850	6449	12066	9679	10363	12675	34552	7126	12268	14470	7410	22747	15994	9877	0	0	0	79566	61726	0	12055	7130	16785	22093	12904	228	29126	14135	8343	8521	12847	5873	9133	24955	29133	16499	6862	16565	8295	2349	5861	24029	16694	9178	7681	5269	3598	10256	0	11139	13432	14440	12408	59964	8992	14836	15823	13068	12349	7101	7570	7967	10866	21699	16090	23198	29564	0	14447	13189	17717	14901	10187	9611	7561	7938	59590	7918	16669	0	7136	29847	Phytochemical	0.5652174	1.1304348	0.0
12	C22 H26 O12 N2	511.15585	511.15665	0.085256055	511.15588	56545	64015	55566	46839	26367	28167	42573	57850	39877	67517	37172	32444	51289	8679	44363	43699	48143	51563	56493	77438	70606	125707	49832	52049	25628	7513	22925	17459	55548	40952	51918	54507	70341	39599	100933	45943	54449	46417	43701	75807	82790	32199	387	0	0	92680	109179	0	49199	52798	51527	48881	28367	0	55973	27149	21535	57386	74356	50227	71259	61206	66899	47238	18766	49886	37131	52418	0	20925	18651	49517	49624	45255	35388	39773	0	40333	37799	44557	34115	61761	32952	26483	32429	22679	31478	28734	31332	70611	30931	63482	71124	66011	54134	0	54315	63588	24144	22838	20115	61312	39783	63948	103951	60985	27014	0	28493	66026	Phytochemical	0.54545456	1.1818181	0.09090909
18	C22 H26 O12 N2	511.15585	511.15665	0.21379362	511.15594	12576	11645	7258	12557	6890	11946	8753	14022	12237	16490	6466	8656	14192	5141	10954	14562	6719	11794	12753	7453	15770	22002	10545	14634	6434	4896	5603	3940	9838	8861	13800	13762	18836	14126	20896	14709	19403	14897	8092	15285	12868	7788	0	0	0	34514	24177	0	15898	14432	12055	13825	9210	0	20407	5973	6129	12760	17872	6432	9242	14363	19124	14274	7842	12481	11517	7548	5608	4857	4016	11534	11939	11919	6095	13459	0	11077	12601	11217	10429	24901	6533	7735	10018	7165	11441	8911	9941	10698	10438	17292	16931	12227	15245	0	15509	12558	5402	7102	8838	11136	8852	12759	20916	14157	9197	0	7982	14345	Phytochemical	0.54545456	1.1818181	0.09090909
10	C22 H26 O12 N2	511.15585	511.15665	0.06270694	511.15588	45488	37437	35995	37085	24043	15878	22822	46167	29920	51342	25276	31243	36617	8163	25595	37299	31392	32951	40471	49084	58217	77967	38201	40535	13063	4326	22090	12598	35884	30813	35297	33538	44917	33509	60873	33766	38166	23250	39582	52733	59654	20968	0	0	0	53161	83502	0	41286	35985	45016	40856	19924	0	45100	22979	17459	34792	39044	40741	52498	42275	44351	40800	12095	36221	21375	44918	10758	10385	13610	39191	35910	29965	31049	32175	0	22579	31947	31916	26868	40507	22152	19788	28207	14876	27748	22734	20660	41199	26543	28073	58332	48854	49506	0	40182	48615	20955	20703	26967	46178	27363	49896	57151	35204	19034	0	18860	41254	Phytochemical	0.54545456	1.1818181	0.09090909
16	C22 H26 O12 N2	511.15585	511.15668	0.14133863	511.1559	31218	28381	29012	40069	16149	18224	22569	33988	26249	26602	12827	26082	39587	7188	31206	25121	13604	36463	36254	29022	38241	58321	33411	32829	23253	3660	13267	5263	32152	29873	36917	30729	42313	24679	55950	22611	32679	26314	17924	40310	28693	19216	0	0	0	58929	48663	0	35518	26801	29012	32127	21684	0	40629	17456	13568	32998	43030	13080	37318	30346	37634	31071	13228	27457	20408	18739	6555	10113	9083	29810	34327	30477	16984	25567	0	21375	22240	21071	23762	43259	21094	14997	19224	17316	20697	17056	21986	0	19206	39171	57538	27628	29411	0	27597	28216	15198	11450	13602	34843	16052	30690	48903	31515	16256	0	19864	37892	Phytochemical	0.54545456	1.1818181	0.09090909
14	C22 H26 O12 N2	511.15585	511.15665	0.08083629	511.15588	56786	51752	47938	49073	29892	32543	32107	60149	38746	59813	22414	37240	53977	12758	54499	49827	23799	54961	54107	47938	64074	101349	44595	59997	27165	5750	24674	13192	45604	48262	49942	46727	71147	45324	87184	48493	57597	44563	29858	72441	50490	26537	0	0	0	84590	96511	0	56015	49774	43479	44211	27463	0	69180	26393	20192	43558	88753	32020	45168	67686	59604	45792	17676	45879	32894	38092	16970	14701	14911	47228	42249	52490	31724	35417	0	37676	36472	48031	31737	64361	29600	26912	30575	24510	33539	30666	33084	39994	33621	54403	72002	54239	54133	0	52066	59149	21639	19633	16986	54615	37979	54931	97380	44225	21628	0	27152	63045	Phytochemical	0.54545456	1.1818181	0.09090909
26	C27 H26 O10	511.15988	511.16046	-0.005647016	511.15988	14189	13620	12682	10664	18254	10019	0	0	26402	45854	25494	0	29483	10586	8456	0	0	14104	24568	25653	29896	19631	6983	0	0	39483	0	18577	0	0	2523	0	4190	2688	55374	0	4293	5127	0	16415	17619	0	0	0	0	15528	15823	0	3636	0	12044	11373	12110	0	15907	20259	8411	2584	0	0	0	13989	32037	20149	6807	19611	7014	2216	42128	54530	67494	0	0	0	0	0	0	2739	11370	14151	11816	13225	3124	13881	29690	9308	11706	5148	4615	3601	4528	7282	0	20299	24308	0	11862	13160	13254	19994	32693	0	0	0	12868	5222	16222	0	0	30563	Phytochemical	0.37037036	0.962963	0.0
16	C27 H26 O10	511.15988	511.16064	0.04082795	511.15988	22170	16367	25094	18937	24816	8390	6294	9923	21962	65258	44374	8929	21493	11899	7939	7659	10054	18968	24469	59258	47710	27797	9290	9875	10317	72558	8517	34394	4568	7543	6354	0	9977	7832	77576	7803	12228	9873	9282	31372	26853	5310	467	0	0	21861	36771	0	9954	11217	18092	18755	13137	0	16182	15482	6775	10517	7510	9071	12379	24227	30232	17925	10078	19039	10410	9009	47405	72852	92453	7789	6126	7004	5607	7890	0	5633	14680	21850	11137	24298	8828	29824	22190	11133	17103	6941	7594	0	15434	15217	0	19683	30747	0	26343	20961	21448	22066	23411	10574	7114	8632	18690	13449	16975	0	8772	19567	Phytochemical	0.37037036	0.962963	0.0
18	C27 H26 O10	511.15988	511.16058	0.05351086	511.1599	47059	42661	30372	46099	40212	24805	12730	12176	43029	143157	106519	12727	57556	35826	17127	18880	10099	51213	56943	107186	106066	53485	23087	18400	14309	145853	15728	70385	15047	11346	13684	10783	22728	8424	173903	12440	18154	19230	12210	59730	62453	11769	716	0	0	48436	47368	0	16784	12333	37363	42722	31720	0	43297	35662	22048	26735	19100	12894	22818	30854	58196	35373	23677	44865	22588	16034	117060	171951	190270	14549	9202	6323	11792	16120	0	11204	36842	40668	27646	51660	20611	49559	55335	28687	32336	18613	19937	26732	22723	36257	29693	44544	61362	0	47883	40946	51886	46255	43899	13661	11683	17502	29347	17844	30881	0	18379	47063	Phytochemical	0.37037036	0.962963	0.0
22	C27 H26 O10	511.15988	511.16055	0.05384972	511.1599	50228	44489	42977	47860	65531	31038	11190	12057	74610	160863	108001	10542	66811	41351	15506	15213	10062	69076	59824	112145	118487	67758	25233	20540	14090	150981	8650	87435	9904	6173	11114	9861	17783	8312	215525	6486	17003	13998	11872	66437	62827	17185	0	0	0	61520	62983	0	13310	11327	48876	48276	38954	0	57910	60709	25170	21096	19581	9446	19900	51290	80954	42408	28698	64933	32384	9279	134789	197411	199248	13570	7517	4177	5474	8942	0	14042	39724	49719	31787	45662	11499	51257	77332	40590	38321	15301	20185	16538	29625	32079	19749	64995	78177	0	53104	39925	60090	52409	60966	22482	12725	18180	48440	16918	52135	0	15738	79808	Phytochemical	0.37037036	0.962963	0.0
28	C27 H26 O10	511.15988	511.16052	0.0538465	511.1599	7694	5639	7510	4079	9550	4499	1755	0	8478	21582	9273	1832	18457	5607	0	2037	0	11037	11941	10652	12371	8708	3136	1945	0	16038	0	7408	0	2648	1694	0	2270	0	19757	0	2553	1141	1450	7110	6303	0	0	0	0	5796	7026	0	1422	0	6120	6434	6724	0	10578	7984	3710	2131	0	0	2631	3673	16408	9159	2952	10508	3398	1004	24731	32606	36285	0	0	0	0	0	0	0	9423	7013	5203	3522	1544	5308	15602	5006	6731	1364	2380	1530	0	2603	5028	9339	9925	0	7493	5327	7929	10424	13573	0	0	0	4221	2147	7298	0	2465	13815	Phytochemical	0.37037036	0.962963	0.0
24	C27 H26 O10	511.15988	511.16052	0.033572447	511.15988	28721	27955	28099	26714	33239	19775	4309	5205	41329	91152	53782	7508	52731	19130	8946	6656	4517	39588	41096	57858	56560	35673	13025	8723	7136	90286	3693	42736	3152	1904	3924	4122	4415	3580	106400	4798	8505	8125	3885	38301	41308	6885	0	0	0	32059	36044	0	4856	3024	24917	25456	23212	0	42179	35787	14030	6217	8573	4197	9688	31630	53295	31559	10262	41740	15239	6618	88122	107446	119075	4857	2626	0	3091	3222	0	7957	26932	24373	19071	27430	4849	28378	44353	25105	20745	7937	11106	8042	9959	13582	12623	37959	52822	0	30266	26542	33874	35343	41173	5583	4205	13531	21854	10214	32287	0	7800	50957	Phytochemical	0.37037036	0.962963	0.0
22	C24 H30 O10 S1	511.16324	511.16406	0.51835907	511.1635	7661	20720	15520	8446	8386	13162	3657	4249	11404	61446	11732	7782	15343	0	4261	12560	5122	16717	8962	48636	42002	34624	14592	8078	16144	10468	2781	22224	13980	3747	5031	0	9833	8620	62680	6084	10778	3031	3606	41554	10445	3177	0	0	0	46166	51576	0	14648	6747	13306	20288	6104	0	14542	4664	3705	21956	24066	5615	8055	33670	8785	10422	11164	9470	5246	4456	0	27160	12057	6255	5079	5426	3938	2419	0	3252	4655	21688	6500	29920	7287	22012	9179	6932	3978	5188	12328	10162	25620	45258	25892	29922	45012	0	7606	22482	5994	4577	0	6968	3870	23680	39920	7284	5877	0	5320	25596	Organosulfur	0.41666666	1.25	0.0
2	C19 H30 O14 N2	511.17697	511.178	0.393693	511.1772	248976	236402	233028	185666	1814	0	59826	356707	0	0	3944	77950	2557	926	31680	338366	143933	3279	1992	1548	4508	148810	25054	990618	117436	0	83442	0	176520	233484	153394	95818	656470	72892	0	82000	690948	23432	196198	3224	2524	17450	0	0	0	127216	4265	0	266146	142242	211264	246548	44184	0	0	0	3122	1050826	0	0	408960	0	1098	6186	0	35900	4554	286680	0	41872	21860	152984	78820	52282	205642	165408	0	145608	4242	0	9814	0	0	0	1238	6962	4604	37316	8608	29994	6338	0	537554	0	0	0	240774	240584	898	0	0	674904	54520	1050	0	674990	770	0	71945	2718	A-Sugar	0.7368421	1.5789474	0.10526316
18	C24 H30 O12	511.181	511.1817	0.058088657	511.18103	233573	229105	216874	227956	150483	153590	112451	240706	206261	530858	181232	113646	259633	82299	223900	167371	84464	266343	272631	443947	340706	320009	185241	223105	185395	137756	94563	140683	241478	181215	228316	217129	245848	198714	619094	191150	245653	171909	93393	343765	131212	111432	4737	447	0	874152	230204	0	216952	188195	239603	230831	152011	777	341966	134598	94089	202237	239046	66055	184112	218518	288121	208363	84984	194044	153769	103005	126748	284200	155914	235067	191592	221741	101283	205596	0	166659	160568	117361	157636	267513	140923	178054	147607	126930	132165	90392	136359	76146	195904	262637	248989	143405	278841	973	239574	232404	154879	112195	107526	190571	132375	229916	240370	155900	112610	590	122225	263732	Phytochemical	0.5	1.25	0.0
20	C24 H30 O12	511.181	511.1817	0.04519131	511.18103	140674	135283	129373	115027	91877	103757	63667	139821	159092	301081	98245	60350	181268	58159	119586	83036	38288	176316	160734	281640	243008	201686	112802	120784	110191	91780	54200	82455	129502	108166	129410	119879	131021	114166	366014	111961	156973	86440	45238	182964	73304	66772	2524	0	347	270780	141366	0	118638	103405	130493	130067	101522	452	216393	78560	63007	109561	150250	36486	103719	130553	195321	130814	56278	103561	94988	43534	63424	191767	95391	123562	129248	137074	53462	101990	338	108891	95785	64586	85449	141983	82548	100781	94788	66127	72317	48419	80807	44903	100135	150447	148831	78457	124998	862	135887	132755	83872	67130	54990	115726	72539	120762	175502	103585	76980	860	66287	218255	Phytochemical	0.5	1.25	0.0
10	C23 H30 O11 N2	511.19223	511.19305	0.039305843	511.19226	41532	33404	29539	31985	16947	15201	24631	48570	23092	47164	23404	22679	27609	8487	28990	44118	23763	26289	32093	44391	38467	65201	30758	44235	25367	5690	24961	10561	37679	31074	36022	37910	46876	34109	59913	43165	49878	26495	26210	53674	33830	16685	0	0	0	44889	44140	0	36822	35288	42015	34731	18933	0	33817	12659	12757	43929	43603	25699	52782	32626	31280	22451	11009	24415	18888	32243	9765	13974	9559	39648	34367	34398	23316	35511	0	26541	24921	17341	21297	25987	28882	22309	21585	15094	26325	15385	19000	38426	32130	45945	62200	33766	38327	0	39470	34200	11007	17938	19134	37837	24231	47640	22609	38032	12406	0	24417	33507	Phytochemical	0.47826087	1.3043479	0.08695652
14	C23 H30 O11 N2	511.19223	511.19296	-0.004441195	511.19223	60050	64695	54723	61735	22951	28515	46342	72386	37478	73523	33585	32901	43141	11596	67261	60410	32429	50610	47536	82031	60619	108559	55408	82416	66818	11128	35553	16042	76044	61156	69492	72213	87077	60605	100464	64137	76967	46253	32559	85386	39441	29458	0	0	0	83539	27264	0	66939	66083	63884	51486	32847	0	57938	19810	22732	76998	136954	29439	97502	56783	38792	43243	19035	41787	38355	32902	0	23490	10107	66003	53805	66363	37505	52646	0	49455	39508	25878	41757	47868	53697	33027	24419	28716	42598	30503	39639	43892	66415	81583	106766	38103	54452	0	62746	54370	14878	14569	21425	67778	43825	92152	42774	68490	17941	0	46060	43635	Phytochemical	0.47826087	1.3043479	0.08695652
12	C23 H30 O11 N2	511.19223	511.19296	0.002789946	511.19223	53439	54432	49776	50562	23512	22701	42703	74609	32946	60163	26541	28071	29085	9166	47257	51613	37502	35140	50276	77062	61302	106509	52060	65348	49305	5425	28169	19432	66877	45659	55459	46198	82888	47709	103091	56532	60493	51671	38117	77049	47671	28081	0	0	0	69174	47162	0	56471	57193	53203	36256	30313	0	54908	21416	18867	65380	81727	30066	56193	50595	38506	30203	15441	32875	30088	38879	0	26960	13956	54694	49619	53221	22223	48149	0	46436	38620	17793	37730	33982	47930	32115	18740	21196	39906	20726	34133	62088	55263	73478	93680	35863	44461	0	49963	55168	19206	22841	16981	53787	31971	59073	34385	58943	19232	0	42095	38294	Phytochemical	0.47826087	1.3043479	0.08695652
18	C23 H30 O11 N2	511.19223	511.193	0.18531762	511.19232	2666876	2589998	2641261	2172921	1558983	1488820	1587649	3001345	1741734	4967424	2441743	1508187	2233817	855611	2460802	2435322	1487710	2353534	2863048	4197684	3595064	2584668	2189927	2773925	2532400	1903442	1372128	2158162	2672835	2485098	2493534	2783869	2855653	2570123	5304184	2839798	2697661	2153440	1578289	3457131	1917541	1311427	33872	3258	0	2727399	1909132	3708	2564346	2699421	2695654	2602908	1495791	4239	2951407	1414314	1105265	2471146	2672360	1061334	2498979	2089565	2168463	1953326	1011596	1821744	1537194	1569365	1808818	3416245	2302610	2669149	2278602	2785960	1677047	2591185	0	1764851	2356819	1369767	2015259	1828817	2105570	1967599	1638920	1341593	1974304	1291812	1771552	1681715	2722274	2840809	3344681	1517392	2442185	9153	2673070	2348364	1414354	1264638	1398044	2604189	1685741	2847452	1382818	2178712	1282642	0	1789462	2407872	Phytochemical	0.47826087	1.3043479	0.08695652
28	C28 H30 O9	511.19626	511.1969	0.010155414	511.19626	11669	7783	9987	7872	13472	4376	2502	2773	12829	23022	16247	2474	25203	7922	3606	3786	3800	11691	14390	18101	19236	8975	5621	4560	4501	38524	2937	16804	2636	0	4758	2708	6454	4039	24084	2527	4978	4426	3671	12385	11703	4933	0	0	0	6677	10438	0	3308	3140	8480	7868	8306	0	13471	13764	4644	4418	2798	3249	3443	7442	16177	7956	5435	13937	7308	3219	43715	45849	59779	3130	1814	0	3608	1715	0	2571	9575	11735	9639	5170	3666	8227	15215	7341	11826	5355	4862	4526	7121	7078	7240	10086	11301	0	10140	8933	9286	17272	19313	4201	2728	3855	5233	5536	11317	0	3205	15927	Phytochemical	0.32142857	1.0714285	0.0
24	C28 H30 O9	511.19626	511.19687	0.004578626	511.19626	67173	67976	58546	65294	68110	39335	15793	29348	81728	154735	125235	20810	111126	44370	34418	32898	19042	75265	87576	149597	140377	56485	42724	38137	29707	242453	19990	109292	22300	21230	24798	20542	39138	25958	197983	23376	36779	21944	21751	104619	95016	26997	2279	0	0	72991	65350	0	26996	27802	63980	63456	52228	0	83127	76389	33707	38993	30073	21264	35392	68954	100944	64320	30011	87536	39488	21405	209898	276685	295439	30251	21856	17719	16819	17831	0	25536	59964	45025	52993	46017	24663	83942	95946	46832	55143	24245	35607	26933	38291	38440	48349	57683	69423	0	67562	65347	67428	79463	81162	31270	19340	37379	46612	31004	71243	0	27152	88474	Phytochemical	0.32142857	1.0714285	0.0
14	C28 H30 O9	511.19626	511.19702	0.05344245	511.1963	6457	8709	6739	7425	3772	2050	0	9042	0	17113	8600	5583	2979	4333	4278	8749	6709	5953	3707	11475	13813	8318	7049	9962	4292	20664	5619	9338	6605	6244	5455	0	4859	5736	9900	0	4173	4807	9964	7311	12757	4187	0	0	0	4939	6689	0	5727	5424	7852	8541	3925	0	4521	4295	2822	6762	0	7446	0	3651	7228	3530	3822	4389	3789	8858	0	15245	22395	5965	4291	6997	7116	3526	0	5400	9983	0	10264	3979	7130	9496	8049	0	7224	3162	5122	11108	6607	3903	12947	0	7007	0	6660	5817	7191	4764	5398	6019	4644	6681	0	5719	2981	0	7536	4532	Phytochemical	0.32142857	1.0714285	0.0
26	C28 H30 O9	511.19626	511.19693	0.003648284	511.19626	25660	26446	25559	21365	36805	14283	4011	9992	33529	57379	41830	8488	54942	21522	14621	14612	6190	27774	37023	53921	70051	23021	16855	15706	11072	95826	5466	34705	7757	7151	11111	5622	10656	8122	71604	0	15758	10817	7059	40073	46733	8760	0	0	0	27958	32499	0	8010	7772	28540	26552	22763	0	39286	35596	13767	11906	11829	7559	14147	27307	43989	26583	9777	38740	18641	8042	112489	120070	138735	10721	7419	0	0	4740	0	6684	25033	21977	23868	23355	10614	32371	45459	16440	21116	12145	13095	13744	11477	20016	19014	23784	31085	0	25269	26429	29579	42135	46112	13738	5769	18391	16762	11756	27522	0	11400	39905	Phytochemical	0.32142857	1.0714285	0.0
24	C25 H34 O9 S1	511.19962	511.20013	0.4360468	511.19986	9504	9504	19658	8088	11258	5288	3839	5393	11456	24127	12592	4021	11710	0	4746	21702	4338	15964	14757	24035	19382	30794	5710	6645	18584	8155	2343	0	7828	12476	13584	6003	8130	7843	51214	5447	7547	3671	11700	29626	10861	2913	0	0	0	16891	24334	0	8355	5515	11457	7194	15528	0	7085	3385	3430	15416	20348	8202	5978	19384	6933	9242	0	5867	6380	4098	8312	33626	9603	4221	3952	3636	6198	6086	0	8734	13630	3038	4928	11511	17556	13490	6521	0	6683	5339	4817	14450	44876	32910	20728	11150	12602	0	16198	9565	6774	0	6185	6769	9308	23294	13155	18818	6967	0	14228	23916	Organosulfur	0.36	1.36	0.0
4	C22 H30 O10 N4	511.20346	511.2045	0.20460999	511.20358	2306	2306	2051	1878	790	1101	900	2495	702	0	0	1026	0	0	1177	1968	2612	941	1132	0	776	3847	2662	2465	804	0	0	3779	1643	1172	2020	1970	2056	1372	1224	1764	2138	1294	3013	0	821	829	0	0	0	0	1123	0	2003	1201	1284	2112	948	0	632	444	514	2773	1224	1038	2776	0	1128	806	0	977	1317	2228	0	0	0	1784	1320	1361	0	1427	0	1099	1782	8785	569	0	626	0	915	511	1901	961	1640	4981	34409	13435	6423	1893	2483	0	2106	1824	805	921	837	2303	1099	1716	0	2619	526	0	997	1550	Peptide	0.45454547	1.3636364	0.18181819
6	C22 H30 O10 N4	511.20346	511.20444	0.15847877	511.20355	6284	6802	3857	5831	1840	3181	2873	6072	1278	2544	1699	2423	2229	705	5309	5476	3407	3093	3470	1919	2573	7689	5060	5371	3408	0	2819	5712	6000	5414	6498	4401	6954	3549	2576	4645	6316	3576	3702	2391	1098	2135	0	0	0	3038	2757	0	6953	3523	6592	5936	1756	0	3175	1009	1926	7460	3741	2666	6920	2357	2446	2408	1915	3152	2235	4365	0	0	0	5529	3194	3355	0	4977	0	4174	2659	29105	2750	969	2434	0	0	2369	3060	3458	0	9405	93562	36600	10631	9629	6759	0	6331	5969	1190	1318	1490	6299	3238	5439	0	8757	817	0	3070	3816	Peptide	0.45454547	1.3636364	0.18181819
10	C22 H30 O10 N4	511.20346	511.2043	0.11300378	511.20352	6151	4866	5225	3112	1879	2675	4483	5408	2451	3194	0	3526	3151	0	6420	8506	3616	2745	3244	0	0	8666	3868	8214	5995	0	3901	0	5790	6654	4105	6413	8681	6248	3859	5363	6774	4926	3365	0	0	3053	0	0	0	0	0	0	5062	3575	4031	4540	1773	0	3277	762	900	8107	7081	0	0	0	3632	2085	912	0	0	5605	0	0	0	4212	4932	2752	5447	5383	0	2956	6143	5667	2502	1232	3679	0	1798	2459	5100	2714	2589	6256	44265	23620	16973	1874	3989	0	5644	5472	0	969	1132	4720	4431	7864	0	6450	1205	0	3910	3166	Peptide	0.45454547	1.3636364	0.18181819
8	C22 H30 O10 N4	511.20346	511.2043	0.14935134	511.20355	6222	5918	4666	5942	2087	0	5317	4872	3265	3140	2080	2688	4034	1529	5772	5914	3395	2928	4166	2380	3193	10185	5736	6840	5788	0	3236	7020	4177	4919	6012	5907	7422	5243	4193	4669	8957	4895	3388	0	2361	2976	0	0	0	4448	3137	0	7797	4258	6625	6621	1745	0	4278	970	2200	9033	5061	3189	5726	1940	2586	1946	0	3169	3222	2668	0	0	0	6649	5004	3412	3269	3519	0	3488	5541	24839	3177	1452	3167	1603	0	0	3432	2907	4190	7516	102808	47993	15369	6566	8306	0	7685	7784	0	790	0	6831	2903	5432	0	5599	2359	0	5182	2843	Peptide	0.45454547	1.3636364	0.18181819
6	C27 H30 O8 N2	511.2075	511.20837	0.010003137	511.2075	7077	5730	5172	6730	2768	7191	25890	5094	1464	6822	6207	5309	0	0	7638	4740	0	2172	5120	9024	7100	3671	6891	4055	4194	1024	23008	5767	17314	3659	5545	10841	15101	11494	6788	6806	16623	7972	0	7836	873	16921	0	0	0	4671	0	0	17838	2668	5351	5004	12915	0	0	0	8429	4040	1611	0	2971	5177	0	2382	4498	5735	18904	0	0	0	2438	3526	5200	786	5075	6912	0	6991	7695	0	12022	2536	10147	5890	0	6439	4550	12229	11235	1937	0	5421	1999	2400	2573	0	6252	5852	2318	0	0	15810	8236	24478	0	3065	1784	0	3604	0	Phytochemical	0.2962963	1.1111112	0.074074075
0	C20 H34 O13 N2	511.21338	511.21426	0.22412804	511.21347	0	0	1683	0	1062	45332	0	3429	1607	0	0	0	0	0	0	0	0	2375	1576	0	0	0	0	0	0	0	0	486	3470	2293	3164	0	8734	3762	0	0	4796	0	2872	0	0	12509	0	0	0	0	0	0	2651	0	2115	0	2872	0	1407	0	0	2155	398	0	0	0	0	1527	1270	3439	5012	2867	0	0	0	2448	4354	2328	0	2335	0	1611	0	0	0	0	0	0	633	1362	0	1853	2651	1875	0	0	0	0	0	0	2013	2558	758	0	0	3347	0	0	0	0	0	0	0	3568	A-Sugar	0.65	1.7	0.1
26	C25 H34 O11	511.21738	511.218	0.13511123	511.21747	5476	6371	7524	6570	6788	3899	1996	7147	6902	19531	0	3830	8910	2836	0	6654	0	11970	10405	12555	12242	8030	7017	6295	5610	0	0	0	6644	0	6073	0	8522	6687	20291	5860	8208	5885	3183	11314	0	0	0	0	0	11354	0	0	7053	0	6438	5525	3270	0	8087	0	3992	5724	6316	0	9231	0	9930	5626	0	5142	5085	0	0	14030	0	4005	6160	10159	0	4325	0	0	6371	0	6276	5598	4678	0	0	0	4224	3378	2838	0	9601	10860	9215	0	0	0	4805	10697	3198	0	0	7004	3608	9172	0	7456	4506	0	4273	12124	Lipid	0.44	1.36	0.0
20	C25 H34 O11	511.21738	511.21805	0.035657294	511.2174	225703	216184	218474	187181	135305	148563	120068	255048	206290	472672	146434	103084	244437	85172	238554	164151	87694	239575	272110	436141	301944	236925	197391	233050	237805	117605	103152	147953	244095	202854	211934	209717	251088	188986	598491	205850	285006	161508	84781	276957	98111	114226	4476	0	0	269070	102553	537	217780	191354	211193	212018	133483	1033	308023	129390	95397	200829	274263	66316	191035	155824	244426	196771	77412	175288	138357	94933	83333	290886	133550	241410	202585	248114	112154	198298	0	187429	152533	79598	137941	120798	147650	146216	128760	107031	135021	89607	138166	89724	223498	276105	306853	109220	165223	1253	224351	214315	126199	106810	97364	191411	139653	236936	136007	206719	107408	0	134905	251350	Lipid	0.44	1.36	0.0
14	C25 H34 O11	511.21738	511.21817	0.038618524	511.2174	62468	54427	55637	54669	22243	28346	51210	71630	38352	71740	56828	51199	24038	17766	108522	84939	64823	27664	42833	69227	54882	62534	51844	69036	99438	43038	44993	44617	49902	66059	102796	82402	130450	46850	76315	61934	55142	49254	62172	49491	50838	29699	0	0	0	53892	66227	0	68998	61804	64848	52794	30438	0	41496	23955	23554	74860	66389	47313	81639	32512	40685	45418	22735	32309	29640	64691	28967	49694	44660	51621	56050	73475	63823	61935	0	47211	63959	28632	57545	35174	53732	30713	36870	27066	61697	31659	33060	74361	48406	49264	69921	27538	47751	0	66629	55342	28420	31588	30684	66177	42009	81342	40566	55140	30986	0	48738	36537	Lipid	0.44	1.36	0.0
22	C25 H34 O11	511.21738	511.21805	0.024450658	511.2174	109529	100992	96815	106277	63707	82486	56304	136620	113590	248106	68894	46765	129419	49003	122819	77688	30269	162567	134230	215515	164697	133778	96751	112672	129258	54583	39952	70139	128440	94192	121257	121914	131997	92821	290071	108757	157990	86645	34362	134974	43061	51178	0	0	0	132623	47339	0	104067	95764	101941	106422	69692	0	190662	67875	50797	98231	138914	23176	96462	87549	135608	117709	35577	96997	69808	31296	39324	172235	61587	113064	90428	114953	40706	86830	0	100644	88555	25545	68793	62667	71517	63889	65811	58706	58199	41372	61446	40669	117527	151713	143100	45057	97451	0	101879	106874	61017	53282	53451	113055	63958	115581	68401	94035	51405	0	58744	157083	Lipid	0.44	1.36	0.0
16	C25 H34 O11	511.21738	511.2181	0.010247081	511.2174	128031	122816	125169	116614	64673	65557	94786	150761	88934	185215	105682	89505	89942	36280	120297	148553	100902	97414	112884	186975	161646	259176	120206	159646	227284	88711	80342	91572	136660	123812	271306	135140	150715	93974	465616	133207	144957	109756	112654	242136	93667	68694	1674	323	0	233212	90649	0	296806	135420	120657	131766	68798	0	124372	72612	53135	125167	271838	82485	164352	76860	91311	90196	47524	89205	72541	97650	82723	123924	89852	257410	128824	141415	101913	122825	0	97629	142655	63320	103211	82532	214142	84375	90944	61971	113875	57472	67324	110956	94702	116010	151541	73123	112064	723	127254	122609	64155	67492	72866	147603	83268	154581	80082	144268	64655	0	114279	93973	Lipid	0.44	1.36	0.0
16	C24 H34 O10 N2	511.2286	511.22934	0.1289002	511.2287	17876	15030	15830	17892	9089	7102	15081	28348	6804	22617	5273	8114	8258	3927	22182	19891	9619	12755	13312	21190	21349	22533	20548	31347	32835	2268	13034	8092	26768	17993	25048	25247	29028	17156	24220	25891	29330	16515	13123	22633	4044	8109	254	0	0	21921	7605	0	23368	18562	20799	13833	7895	0	14518	4463	6847	21741	35653	7789	32100	11682	9923	8461	4872	5903	8789	12532	0	6257	3469	23401	18032	20175	10771	19086	0	15839	9919	5599	10965	11558	19377	8586	4547	7844	12578	11169	9431	0	34768	43178	39165	7397	13032	0	20772	16666	2911	2540	3631	24234	13449	28445	8752	26183	5547	0	18460	12596	Lipid	0.41666666	1.4166666	0.083333336
28	C29 H34 O8	511.23264	511.23328	-0.020626461	511.23264	13675	15831	15878	12860	20511	8309	6686	9764	18339	22887	22069	5666	29040	10498	7174	10150	9606	12733	19701	24880	25928	12550	11564	13141	9724	57067	6675	22145	8122	8375	8612	7307	12436	7464	26265	10074	10588	6933	9211	17361	23023	5853	0	0	0	13190	11760	0	10123	10783	15469	14422	15523	0	17279	20669	6710	11741	6896	5992	13063	11578	22415	14268	5977	21507	11046	10165	61391	57119	84187	8649	5939	6882	6513	7727	0	5528	18264	12358	14316	8861	7615	15366	24445	10698	20725	8361	7506	10579	10019	14890	14738	14610	11382	0	13376	16437	12523	33844	35496	11312	5255	11834	6672	9917	16444	0	7140	20719	Phytochemical	0.27586207	1.1724138	0.0
16	C29 H34 O8	511.23264	511.23337	-0.032602318	511.23264	14816	17776	14678	14476	8365	6564	16101	18915	10710	14404	10018	14413	12328	7063	17739	24705	41952	5346	12774	21541	19188	17608	12985	18358	19284	26364	14564	9713	13243	20423	18770	15566	17126	4646	7879	21023	19224	20504	39943	15586	18646	10339	0	0	0	9039	17442	0	16742	18493	17174	19446	6170	0	10272	10673	9904	22472	13080	23061	14537	8685	10650	12865	8116	10487	9274	32836	18109	28013	37283	14554	9972	16508	21944	20433	0	14452	30730	5721	20702	12535	11152	14098	17022	8453	27272	5128	8728	35743	13090	18813	0	10035	12213	0	23308	12367	13307	14098	18114	21723	11761	14496	6381	15555	11536	0	22502	6993	Phytochemical	0.27586207	1.1724138	0.0
10	C23 H34 O9 N4	511.23987	511.24075	0.16159698	511.23993	1602	3837	3495	2792	0	1657	1033	2637	0	1478	0	1650	0	0	1611	0	0	0	0	2108	1597	0	1257	3766	2470	1496	0	4660	1400	3732	0	3226	4600	3886	0	1251	0	659	0	0	0	0	0	0	0	0	0	0	1621	3876	2235	3114	0	0	1039	0	0	4434	0	0	0	0	0	967	0	0	1091	0	0	1687	2109	2244	0	2577	1158	846	0	2393	1450	23378	0	0	1067	0	0	813	2575	992	0	2671	92522	29901	5878	5841	3670	0	2639	1752	0	0	0	1232	833	0	0	2207	0	0	3077	0	Peptide	0.39130434	1.4782609	0.17391305
4	C23 H34 O9 N4	511.23987	511.24106	0.3105385	511.24002	1099	872	698	992	0	980	314	1192	568	0	0	582	283	0	1437	1840	765	453	537	0	0	1190	1173	1207	792	0	0	2989	1308	1013	1539	0	1297	0	1033	1169	1436	564	2041	0	420	618	0	0	0	0	0	0	1585	1238	1043	1279	0	0	570	0	325	1871	590	0	542	0	228	513	0	435	0	1147	0	0	0	1018	798	1105	0	664	0	712	1010	18707	483	0	296	0	0	378	1061	588	0	2042	39576	14356	1766	2023	0	0	1969	980	0	0	324	0	0	0	0	1096	0	0	785	677	Peptide	0.39130434	1.4782609	0.17391305
8	C23 H34 O9 N4	511.23987	511.24057	0.21549353	511.23996	3659	6251	3315	8013	0	3449	1870	1942	0	0	0	1120	0	0	2001	3126	1408	1864	1017	0	0	3496	1133	2405	2761	0	1351	26049	2145	2133	1942	3072	1955	1975	2384	2584	4181	2439	2088	0	0	786	0	0	0	2891	0	0	0	1516	4995	6381	916	0	1723	0	820	3744	0	0	0	0	0	1396	0	0	1032	1741	0	0	0	2818	2258	1930	828	2440	0	2261	1300	101007	917	0	1421	0	0	0	1851	1713	1361	2913	290844	108379	7806	19486	6513	0	4445	2417	0	0	0	1304	1160	0	0	2106	0	0	2710	1648	Peptide	0.39130434	1.4782609	0.17391305
6	C23 H34 O9 N4	511.23987	511.24084	0.21949781	511.23996	7480	4628	4455	4214	667	10298	1634	3888	0	0	1062	1913	861	0	1825	2867	0	1100	910	0	0	2416	1890	3090	3393	0	0	25112	1876	1401	3329	2403	4356	2236	0	2036	4340	1441	1516	0	0	1651	0	0	0	0	0	0	5355	2106	6785	6194	705	0	781	444	603	2049	902	0	4391	0	1411	1014	733	920	1411	2968	0	0	0	2333	2181	1711	0	2241	0	1665	0	99811	971	0	1313	0	0	0	2195	1605	1852	2038	191991	66200	6382	12493	3134	0	5266	3229	461	0	441	3205	1898	0	0	2265	744	0	1449	1331	Peptide	0.39130434	1.4782609	0.17391305
26	C25 H38 O7 N2 S1	511.24725	511.24753	-0.041705023	511.24722	5332	4711	4104	4372	0	0	10633	0	0	0	0	0	0	0	0	0	63020	0	0	0	0	0	0	0	0	0	13566	0	0	0	0	4428	39938	8574	2450	0	54165	0	91890	0	0	0	0	0	0	0	0	0	3293	0	4125	5250	0	0	0	0	0	0	0	0	0	0	0	0	2895	0	0	93158	0	0	3793	3794	0	0	11164	0	0	0	0	0	0	0	0	0	0	0	0	90165	0	0	1387	0	0	0	0	0	5969	0	0	0	0	43698	0	0	0	0	0	0	0	0	Organosulfur	0.28	1.52	0.08
4	C21 H38 O12 N2	511.24976	511.25122	0.6849606	511.2501	0	446	805	731	0	0	0	934	481	0	0	367	460	0	0	1545	1556	924	0	0	0	0	410	809	0	0	0	0	0	2508	21447	0	1443	0	0	761	1672	367	774	0	0	0	0	0	0	0	0	0	16130	0	598	843	293	0	372	0	0	1619	0	0	1177	0	475	0	0	0	0	0	0	0	0	493	669	643	0	435	0	420	0	0	0	0	0	0	0	0	364	0	0	728	0	0	1849	0	0	0	1081	1563	0	0	0	1383	0	0	0	623	0	0	440	0	Lipid	0.5714286	1.8095238	0.0952381
16	C26 H38 O10	511.25378	511.2545	-0.033701412	511.25375	51132	47214	38920	50654	19418	18262	54586	65650	26630	34396	26602	44822	30478	9366	53200	68490	68628	34472	32994	48698	32170	33228	37008	52662	45064	21964	57540	23950	61480	83914	61038	65330	72930	45856	31728	73654	65418	42892	97548	19612	32772	18808	1106	0	0	30516	17966	0	80634	62178	54384	47804	21188	0	58442	28996	24164	69840	36588	38790	48184	21022	29788	44118	17954	28836	31096	70900	15750	26898	24434	47044	57256	73056	75232	67134	768	44260	66674	22100	47336	18564	49486	23862	27930	22790	73106	22666	26792	62302	73429	54910	80482	17162	41756	0	47726	50756	16306	35218	43460	72022	40616	60828	13288	49642	22112	0	48916	24236	Lipid	0.3846154	1.4615384	0.0
12	C21 H43 O10 S1 Na1	511.25473	511.25504	0.16155718	511.25482	5568	7194	9810	12357	0	5271	15381	14298	0	0	0	8121	0	0	5262	14772	14742	0	0	0	10467	0	6396	8400	5994	0	9930	0	9873	15243	8892	12213	9474	8439	9384	11049	11709	8740	28863	4836	0	0	0	0	0	0	0	0	10647	6801	6177	0	0	0	4089	0	3633	17199	0	0	0	0	0	0	3597	0	5358	22089	0	3618	0	10254	9459	15057	18468	14325	0	5718	13446	0	3312	2238	5160	3474	3408	2847	10446	2880	0	0	85870	25849	12096	9039	0	0	7299	6999	0	4176	3051	8955	5274	0	0	5286	0	0	13065	0	Organosulfur	0.47619048	2.047619	0.0
10	C25 H38 O9 N2	511.265	511.26587	0.18394078	511.2651	5500	14008	14272	10828	0	0	5492	9808	0	0	0	5116	0	0	7228	9380	6360	0	6004	5056	6104	10328	3868	12364	15312	0	5084	0	21356	10504	6728	16532	14408	13004	5352	13868	7768	5516	1170	11124	0	4084	0	0	0	0	0	0	12772	10244	13064	8164	0	0	4640	0	0	16984	0	0	0	0	0	831	0	4820	3704	6636	0	0	0	1215	8160	10400	8620	8424	0	4556	4372	0	0	0	0	0	0	0	18336	4468	4316	20472	16623	36137	29468	0	4992	0	10748	9000	0	0	0	13952	6600	0	0	13132	0	0	9816	0	Lipid	0.36	1.52	0.08
18	C30 H38 O7	511.26904	511.26974	0.007730346	511.26904	17095	23056	20102	16312	13106	7202	17855	16377	13188	7687	11470	14275	12569	8150	15499	21645	37245	8135	15357	9080	11648	8751	16079	20116	16251	19351	23969	8510	18688	20689	13918	17217	17645	10641	11728	18515	14517	21040	37554	7236	16767	7912	0	0	0	5037	8789	0	18052	16980	15889	16546	13654	0	16269	21905	14742	21080	13375	23821	17626	7233	13741	10481	10243	9230	10228	45497	11960	9741	25290	9561	8477	20026	29730	18316	0	14085	38950	10902	29886	10188	12379	9896	26459	16214	36516	6219	5707	48022	23530	15765	17629	13645	7410	0	19580	15654	15359	31436	32609	21875	13155	16664	6721	12967	12407	0	27676	5456	Phytochemical	0.23333333	1.2666667	0.0
10	C26 H39 O3 N4 S1 Na1	511.27133	511.27222	-0.2934011	511.27118	0	1292	0	0	0	0	0	0	0	0	0	0	0	0	884	4771	0	0	0	1247	0	0	0	3459	0	0	0	0	1658	0	0	0	0	0	0	0	0	763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3530	0	36048	0	0	0	1559	0	0	0	0	0	0	0	0	6035	0	0	0	0	Organosulfur	0.115384616	1.5	0.15384616
6	C31 H42 O4 S1	511.28766	511.28787	-0.4771288	511.2874	0	0	0	0	0	1212	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35419	0	0	0	0	0	0	0	0	0	0	30187	3986	0	646	0	0	0	0	0	0	0	0	0	0	0	0	437	0	0	0	Organosulfur	0.12903225	1.3548387	0.0
4	C31 H42 O4 S1	511.28766	511.2885	-0.24972393	511.28754	0	0	0	0	0	3196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21371	0	0	0	0	0	0	0	0	0	0	18720	3178	0	708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.12903225	1.3548387	0.0
20	C27 H42 O9	511.29016	511.29077	-0.016325844	511.29016	8206	9372	10976	10033	5896	4657	19098	15659	6653	0	3932	8361	9743	4325	12745	17251	20604	5168	9279	3441	5523	4510	6581	7875	8300	2533	19078	6447	18204	19816	14337	18102	17276	7996	3807	18410	17887	7141	19993	1671	4452	4927	523	0	0	4579	4015	0	19874	8652	7559	12085	6764	0	11531	10838	6314	15536	9389	6108	15943	1942	7282	12310	6262	6947	6643	19614	0	4674	3774	11090	19095	20727	20299	13350	0	10382	7435	4089	8414	2562	18923	10006	13655	8117	13620	4078	5610	11977	10303	8266	12145	1454	2655	0	11713	11863	5060	7900	15533	24111	9482	15410	0	11490	9886	0	8427	7546	Lipid	0.33333334	1.5555556	0.0
26	C27 H42 O9	511.29016	511.29074	-0.08000577	511.29013	11246	11058	10253	8355	9939	6155	20485	11873	9519	12905	5498	4359	11142	6049	8297	6758	6130	16009	24148	9358	6887	11317	6978	9539	13505	0	18535	9118	20572	9895	11732	11441	19583	13976	16573	12850	24063	8027	8784	8624	0	6223	0	0	0	7025	0	0	12379	6769	10841	11281	11080	0	20082	8960	5025	12767	15894	0	10187	6883	14838	7191	5439	12765	11292	7589	0	11240	0	9732	12509	8909	0	13322	0	7372	8832	0	5465	5090	12547	7037	8729	0	11498	5279	10200	6124	19172	32841	17340	5825	6216	0	10582	8620	7403	6098	12220	16712	6618	13682	10409	10455	7565	0	7079	12216	Lipid	0.33333334	1.5555556	0.0
18	C27 H42 O9	511.29016	511.29083	0.035016026	511.2902	3769	3713	2103	1554	2596	0	6911	4851	2092	0	1751	2166	1487	2689	2951	2440	8350	0	2358	0	0	0	2183	3047	2358	1888	8234	1636	8381	4795	5196	8277	5301	0	0	11808	4448	3177	8322	0	0	3357	0	0	0	0	0	0	6686	5110	2002	4186	1367	0	0	3782	1509	6387	9997	7423	2971	0	0	1235	1971	2550	1746	9784	0	1525	0	2530	2487	10241	5633	0	0	2813	2729	0	2563	0	4311	2298	6468	1841	3151	1220	2826	4371	36841	4230	2723	0	0	0	2938	3906	1557	8187	4215	9635	3946	16346	11052	2286	3530	0	4486	2013	Lipid	0.33333334	1.5555556	0.0
22	C27 H42 O9	511.29016	511.29077	-0.046955206	511.29013	18505	25612	19685	21960	16841	15712	38271	27120	18155	12139	6404	12572	19542	14835	20011	28166	21340	18010	31957	22832	10651	14733	15777	14285	21566	6832	29886	14646	40203	31333	29561	32158	34834	32954	15950	31324	35010	18242	22879	7176	4792	13947	0	0	0	11429	5800	0	38160	26299	25888	24378	17597	0	38969	25245	13094	31594	21111	8500	21972	5174	20296	21352	14056	21248	17266	22259	5724	9095	5956	21505	30732	31662	22551	30041	0	17188	19153	8777	16083	6082	52800	20754	26225	17801	23970	14241	20671	14179	25327	35056	23988	7924	8279	0	20606	21969	8290	21823	21466	42825	14814	26974	6247	21858	14362	0	12182	25438	Lipid	0.33333334	1.5555556	0.0
26	C28 H46 O8	511.32654	511.327	-0.04069694	511.32654	9062	7744	7208	7248	2885	0	70310	6373	3308	3525	4170	23604	0	6961	34365	81286	5344	0	4383	0	0	0	0	0	10353	0	46691	7819	7979	34695	8266	14037	13165	4210	4900	19584	25041	33974	9243	0	0	0	0	0	0	0	0	0	39221	29204	7833	10125	5291	0	0	0	0	45233	7776	0	59055	0	2904	2560	6371	7694	7514	6198	0	7283	0	3658	3333	20105	0	16748	0	41567	0	0	0	2699	13042	6496	0	0	2689	0	4343	2157	11057	6352	4110	0	0	0	7337	9507	0	4149	0	37076	44930	0	11176	13275	0	0	6976	5094	Lipid	0.2857143	1.6428572	0.0
24	C28 H46 O8	511.32654	511.32706	-0.030161481	511.32654	1561	2603	2681	3136	3787	0	36627	2795	1842	0	0	890	1453	3893	2723	3705	4684	1319	0	1601	0	0	1637	0	3573	0	26485	1801	4825	3332	2872	3543	3220	3969	1665	5266	4004	3647	7806	0	0	0	0	0	0	0	0	0	3225	1673	1729	3116	0	0	2664	0	992	3835	0	1403	4737	0	4216	1710	2896	2510	3895	6434	0	0	1401	0	2377	6398	3679	2211	0	0	1541	2143	1479	0	16085	10576	2322	5189	3768	2699	1969	2510	6324	10046	1954	0	0	0	1874	1894	979	2911	3570	5125	2130	1316	2669	2551	1015	0	2398	3066	Lipid	0.2857143	1.6428572	0.0
28	C32 H46 O5	511.3418	511.34244	0.046793085	511.34183	5045	4002	5146	5459	2840	1841	12845	4950	5916	0	4282	4556	3754	3788	5093	6748	15776	0	5643	2398	0	1757	4708	3190	10657	5230	9231	7927	8577	8735	4907	7212	12057	3721	1286	9929	4357	7158	13344	1193	1428	3897	0	0	0	0	0	0	5386	6070	3607	4941	4031	0	11889	9886	3904	12047	6445	3742	4952	1946	1590	4570	3416	2360	6591	20157	3065	1748	2192	1436	2047	9747	5122	8055	0	5132	11024	6430	4429	3183	6227	6116	15091	0	18948	3215	2463	11634	4228	4389	6668	4761	0	0	4523	3519	3009	24366	29341	17191	5222	6838	3346	8864	9819	0	9352	1184	Lipid	0.15625	1.4375	0.0
26	C32 H46 O5	511.3418	511.34238	-0.07005409	511.34177	9730	8067	10999	8430	7237	3729	15289	10215	11967	0	6767	5955	4089	6073	7248	16582	36519	4760	8575	0	0	2301	0	7999	15574	7809	14125	9849	10073	13618	6517	14393	13015	4456	1397	17107	10512	10911	35227	3794	6327	8543	0	0	0	0	0	0	10707	12298	10113	8982	6012	0	12608	18306	9759	29858	3927	7435	13374	2519	3881	6571	7059	3697	9641	48237	0	2908	5125	2980	3227	14696	9858	10377	0	7393	20193	9377	7165	5646	9719	6192	19511	15397	30563	4052	5937	30148	9968	9666	5802	4122	0	0	11092	8769	8144	34640	34541	23093	6162	9264	0	14353	12302	0	14284	2376	Lipid	0.15625	1.4375	0.0
24	C32 H46 O5	511.3418	511.3423	-0.040419318	511.34177	2439	2728	2832	1923	868	0	5177	2486	3503	0	0	2085	0	3769	4172	10271	22021	0	2379	0	0	0	0	2686	7043	0	6884	2044	4474	2681	1526	4761	2583	1944	0	5375	2242	3886	23610	0	1270	1331	0	0	0	0	0	0	1756	3721	4571	3303	2567	0	3829	7041	4204	10777	2002	4018	2913	0	0	3041	3557	0	4627	29848	1720	0	0	0	0	4929	9275	3064	0	2031	3650	1419	2861	908	2737	1245	6709	4664	8029	0	1881	17556	0	2510	2303	0	0	0	4336	2668	3193	16601	19589	6404	3006	1438	0	4237	5350	0	6383	1156	Lipid	0.15625	1.4375	0.0
26	C29 H50 O7	511.36295	511.3631	-0.019012632	511.3629	0	0	2220	0	0	0	37018	0	0	0	0	0	0	1902	0	6610	0	0	0	0	0	0	0	0	0	0	29006	0	5085	10921	4766	5858	3442	0	0	9176	3033	0	2339	0	0	0	0	0	0	0	0	0	5855	0	0	0	0	0	0	0	0	14041	0	0	5691	0	0	0	3979	0	0	0	0	0	0	0	0	27682	0	4571	0	0	0	0	0	0	2824	0	0	0	0	0	0	0	0	2010	0	0	0	0	0	0	0	0	0	0	2821	0	0	6558	0	0	0	0	Lipid	0.2413793	1.7241379	0.0
28	C20 H17 O15 N1	512.0671	512.06775	0.08965623	512.06714	2194	2336	2016	2008	7928	3189	0	0	5945	0	0	0	18428	0	0	0	0	5612	4273	0	0	4793	0	0	0	0	0	0	0	0	0	0	0	0	3003	0	707	0	0	0	0	0	0	0	0	0	7857	0	0	0	2200	0	3891	0	7852	8099	1267	0	0	0	0	1539	17608	7265	0	5549	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1715	3304	0	0	8815	1804	0	0	1552	0	0	0	0	5360	0	0	2011	2512	5023	5462	4420	0	1068	0	6122	0	4752	0	0	20701	Phytochemical	0.75	0.85	0.05
18	C21 H21 O12 N1 S1	512.0857	512.08636	0.046376508	512.08575	2112	4000	10755	4091	6675	1967	0	0	5793	12027	5562	0	9587	1449	0	1592	0	12158	3062	8684	18737	31851	1504	1837	0	0	0	2554	0	0	0	0	0	0	20856	0	1626	0	0	11174	12267	0	0	0	0	12711	16609	0	0	0	6452	2625	3093	0	7999	6509	2418	1514	0	1192	0	10082	12954	8645	2821	10006	1422	0	6588	2957	2160	0	0	0	0	0	0	0	3382	18501	1877	8910	0	2346	10978	4121	0	1305	0	2637	0	4414	2172	36706	38134	0	2457	4639	8979	8095	6730	0	0	0	8838	0	7097	0	1091	10383	Organosulfur	0.5714286	1.0	0.04761905
26	C21 H21 O14 N1	512.10345	512.1044	0.04364995	512.1035	4312	4329	4986	3316	5361	6400	0	0	9746	5582	0	0	18744	2327	0	0	0	15045	6868	5487	8517	9153	0	0	0	0	0	0	0	0	0	0	0	0	4862	0	0	0	0	3378	5414	0	0	0	0	19386	53766	0	0	0	5560	3194	4703	0	11835	10418	0	0	0	0	0	6219	13349	6764	0	4999	3169	0	0	0	3326	0	0	0	0	0	0	0	0	7330	0	17201	0	0	13165	0	0	0	0	0	0	0	0	12170	9332	0	5311	0	3727	4317	7417	0	0	0	38029	0	8253	0	0	19775	Phytochemical	0.6666667	1.0	0.04761905
10	C21 H21 O14 N1	512.10345	512.10443	0.07256308	512.1035	4842	3821	4618	4026	9807	3338	0	0	9715	2415	7746	2173	16991	0	1433	1504	3852	11973	12781	4497	9257	12081	3380	0	0	0	0	0	1425	1124	0	0	1653	0	5966	0	1431	1249	0	3374	10582	3791	0	0	0	8833	33179	0	1173	0	4990	4283	4698	0	11765	15863	3710	1368	0	2266	0	5119	25944	13849	3774	11789	3697	2527	0	0	2687	0	961	0	0	1046	0	1847	2442	5154	1865	9679	0	0	18471	3215	1713	3630	2100	4006	0	0	2503	17314	8544	0	6301	4115	14204	14623	19393	1514	0	0	0	0	12032	0	0	20606	Phytochemical	0.6666667	1.0	0.04761905
24	C21 H21 O14 N1	512.10345	512.1042	0.117246516	512.1035	4743	4431	4177	4669	5224	7161	0	0	10133	4045	2864	1220	20564	2181	2052	0	0	8121	7996	4732	10555	8790	1822	0	0	0	0	0	0	0	0	0	0	0	4255	0	0	916	0	1903	4803	0	0	0	0	16553	52432	0	0	0	3606	3317	4044	0	12441	10654	2325	0	0	1070	0	5566	16008	7313	1616	8368	2581	0	0	0	2874	826	0	0	0	0	0	0	1789	8257	1698	20766	0	0	15296	4367	1408	0	3026	7142	0	2178	1941	12616	5074	0	4516	5346	9291	8021	6679	1586	821	1556	37881	0	8375	0	853	18730	Phytochemical	0.6666667	1.0	0.04761905
20	C21 H21 O14 N1	512.10345	512.1043	0.22877063	512.1036	8813	9482	13685	7386	23422	11712	0	3051	29187	7919	5174	4621	37697	9632	5740	3224	2080	29684	16023	6805	16479	27525	11165	2945	0	0	0	0	0	0	0	0	2681	1242	7010	1868	3551	3591	1950	14457	11860	8895	645	0	0	28309	83251	645	0	0	6761	10666	14306	0	32899	29336	7057	0	4658	2748	1688	15361	39379	23981	9429	16377	10041	2613	6525	1867	6388	3231	0	1706	2321	0	660	1636	3770	27471	4667	34558	1063	0	36059	10082	3872	6821	7568	1894	5274	3490	5804	29631	14680	0	13003	13854	25611	20637	21941	4225	3318	4057	71677	0	23136	0	1479	43236	Phytochemical	0.6666667	1.0	0.04761905
22	C21 H21 O14 N1	512.10345	512.1043	0.20256498	512.1036	14744	13788	13872	15706	28510	16140	0	0	26512	5300	7296	7236	56342	0	3980	0	0	44720	29308	8484	23044	30104	13090	0	3460	0	0	0	0	0	0	0	3244	2618	8465	0	0	4732	0	14000	14426	8574	0	0	598	50620	143372	0	2580	0	6178	11090	14200	0	38856	35992	10148	0	4382	4380	3510	14308	46594	27342	9270	24672	8870	0	8775	5670	0	0	0	0	4406	0	1028	3244	9102	31924	7786	64290	2978	0	29050	14976	0	4550	8798	3502	0	0	7042	46168	29800	0	11342	12640	27616	13940	22190	2880	2380	0	106318	6442	22440	0	0	50192	Phytochemical	0.6666667	1.0	0.04761905
12	C21 H21 O14 N1	512.10345	512.10443	0.19508663	512.1036	21742	20975	26621	30356	62968	20426	0	7348	86416	20703	25716	13697	98199	7454	15454	7488	12818	66325	65866	18698	62173	103145	18482	0	0	0	0	0	4230	5771	2874	0	12904	0	49031	2901	7548	6768	6700	20388	39368	22343	0	0	0	59453	222780	0	3782	5140	21900	16640	42201	0	91255	69287	30355	0	0	0	0	25345	158688	63911	24251	61446	17049	11332	0	0	9060	4744	3010	0	4344	2482	0	12244	26302	48950	13070	62618	1632	3386	83561	26317	12687	23094	27885	8254	0	0	13309	140281	56983	0	36803	27922	75250	90545	77453	6578	11974	0	129406	10340	68401	0	0	107340	Phytochemical	0.6666667	1.0	0.04761905
28	C21 H21 O14 N1	512.10345	512.1044	0.38868585	512.1037	5382	7354	7250	5371	8716	7498	1400	3148	8318	7315	5721	2218	17333	3336	2614	0	3491	13408	11096	8585	16130	10118	3986	2047	0	0	1686	2756	0	3176	1947	1371	986	2449	9605	0	2095	1991	1299	4161	6871	3453	1174	0	0	18672	51859	0	2311	0	6496	5678	6986	0	11846	6900	3306	1967	2260	0	1969	10307	13901	7391	2651	7511	4153	1352	5539	3036	4891	2202	1421	3568	0	1657	0	2388	2411	10298	1718	18718	2333	3096	11454	4278	1586	1854	3316	2333	3294	3831	3276	10869	10644	0	6904	4186	7896	4487	6126	0	2535	3511	36797	3073	9546	0	1157	14291	Phytochemical	0.6666667	1.0	0.04761905
16	C21 H21 O14 N1	512.10345	512.1043	0.14004362	512.1036	44634	51903	56331	37569	109074	48771	10449	12196	134973	29079	44478	14949	245568	26526	26610	15711	21465	174984	142128	46017	113295	135870	77196	21585	6837	0	7227	0	11556	9327	6225	0	31311	7218	67479	6501	23688	11397	17326	29208	83116	59874	2508	0	0	111105	329082	1779	12360	11721	42681	49659	66573	966	165606	136212	52740	14895	14904	23415	0	75585	224496	138369	55527	114837	47898	15360	25302	9864	22146	9834	0	4800	9567	4548	1140	19839	27213	150450	25983	130257	5778	8613	170199	59049	0	39258	56010	0	10107	25725	0	216543	104055	0	52146	60030	130815	128472	152445	36477	17103	10107	227580	0	135441	0	8595	223863	Phytochemical	0.6666667	1.0	0.04761905
26	C25 H21 O11 N1	512.1187	512.1194	0.02508686	512.1188	0	2975	2653	2918	4769	0	0	0	6188	18117	3657	0	5224	0	0	0	0	5053	6727	9153	7992	15673	0	0	0	0	0	0	0	0	0	0	1528	0	20179	0	0	0	0	6756	6927	0	0	0	0	0	10846	0	0	0	4253	0	0	0	7277	0	0	0	0	0	0	4443	8101	3596	2511	5446	3455	0	0	6366	8837	0	0	0	0	0	0	0	0	5928	0	6575	0	3278	0	0	2121	0	0	1492	1766	3829	0	16770	17496	0	4661	0	4370	3448	0	0	0	0	0	1524	0	0	0	6390	Phytochemical	0.44	0.84	0.04
18	C25 H21 O11 N1	512.1187	512.1195	0.110638216	512.1188	13578	9769	13738	9785	12328	6613	2870	0	12877	53847	27752	0	20315	3763	4270	1962	0	17319	17243	31084	38323	40707	1883	4577	0	16142	0	14454	0	0	1970	0	0	0	86981	0	4640	3065	0	25149	28524	3706	0	0	0	22621	24823	0	0	0	13227	11269	12377	0	15286	14658	5335	1893	3194	2172	2969	23409	27368	11664	4696	16512	4058	1765	24128	29091	29756	2166	0	0	2243	0	0	1364	7580	36807	3809	22918	3858	19151	16385	5505	6326	4174	6601	6458	4737	12956	7201	40554	52726	0	12918	12796	13066	15828	13193	0	2386	3379	19982	2537	10663	0	2617	24883	Phytochemical	0.44	0.84	0.04
20	C25 H21 O11 N1	512.1187	512.11945	0.10620827	512.1188	12368	15145	11553	10125	13303	5914	2773	0	14067	62452	24485	2623	20100	4606	2670	3938	2028	13998	19526	32525	40209	43272	4709	3103	5150	15660	2213	13243	0	0	0	2071	3480	1263	68992	0	5217	2589	1738	23711	28686	4513	593	0	0	25817	31233	0	0	0	9791	14281	7706	0	15718	14905	6092	5631	3375	3500	2145	17142	26617	14825	3443	15273	4695	0	18368	21363	30635	0	1128	0	1896	0	0	0	9247	30531	3511	20272	1728	21328	15532	9824	7945	6017	4925	4067	6167	8945	5651	45610	54694	0	12257	14742	14034	13412	13940	0	1241	3829	17676	3635	12187	0	2502	20064	Phytochemical	0.44	0.84	0.04
22	C25 H21 O11 N1	512.1187	512.11945	0.0701209	512.1188	5784	6520	7571	8189	9763	6267	1407	2955	11084	43374	19859	0	18136	0	4313	2117	0	9595	11777	15534	34740	24165	4354	0	2986	9713	1023	7169	0	1075	0	0	3439	0	36405	1220	3619	1199	2287	14581	14821	2843	0	0	0	21787	32213	0	0	1791	7827	8764	5733	273	14375	8409	3543	0	2477	4080	2419	14336	16990	10664	4291	8805	6119	3217	12125	12022	19068	0	0	0	0	0	0	2239	3604	23976	2909	21048	2330	12305	12310	4353	6995	3805	3904	3398	4295	4904	2043	39514	49242	0	8558	11035	8970	8186	6259	2034	0	4002	14926	2123	7192	0	2326	18245	Phytochemical	0.44	0.84	0.04
14	C25 H21 O11 N1	512.1187	512.1197	0.09877733	512.1188	4358	4349	4320	4948	5772	4178	0	0	5405	24253	18260	1125	13406	3543	1145	0	0	7612	2639	12754	22935	23150	1371	0	0	9569	0	0	0	0	0	0	2834	0	46826	0	0	0	0	9532	19097	1002	0	0	0	8284	17256	0	0	0	0	3225	2197	0	6348	5492	2061	0	0	0	0	9411	12268	2940	1595	6966	2467	0	0	15798	15305	0	0	0	0	0	0	0	3885	0	1110	5643	0	5048	8103	0	2250	2506	0	5564	0	0	3266	22827	25909	0	3401	6177	5493	3917	7764	2154	0	2616	0	0	3852	0	0	5863	Phytochemical	0.44	0.84	0.04
24	C25 H21 O11 N1	512.1187	512.1194	0.11961263	512.1188	5006	3804	6919	4899	6103	2745	0	0	7366	26356	7717	0	7007	2985	2079	1362	0	9127	6987	10595	15696	14870	0	1360	2201	6538	0	3280	0	0	1132	0	1314	0	28569	0	1772	1004	0	7596	8916	1954	0	0	0	9986	20230	0	0	0	4054	5142	3589	0	7852	5119	1882	1473	1918	1799	1663	5390	14216	4773	2231	4959	3258	0	11528	7864	11154	829	0	0	0	1007	0	0	2318	13269	3587	12439	1744	6123	6393	0	3182	1317	3263	2301	1533	0	1353	22145	27849	0	6377	4764	3683	4201	4734	0	0	2044	9805	0	3340	0	0	8103	Phytochemical	0.44	0.84	0.04
18	C22 H25 O13 N1	512.1399	512.1406	0.09956003	512.1399	103735	88391	103488	106636	106633	99669	31296	71247	147169	191813	69057	41504	203283	58393	79523	51474	29067	174223	169245	196215	209093	213990	88498	71017	42884	41120	29380	55020	65224	45108	55546	51469	72695	56535	213176	57701	81579	59457	27490	159154	87914	56602	3240	438	324	436026	465758	402	54754	68192	101240	100407	89925	439	192802	103863	54221	46271	80250	39528	51064	144076	204030	125294	48979	135474	76695	34186	65764	83982	79512	62983	49156	52691	45007	41380	393	51443	68098	121332	63388	325163	40441	63357	112859	86983	56412	41479	56056	25009	44920	76375	69205	159629	179123	709	102912	102490	123650	69727	96299	51945	50329	78817	348465	43144	100892	388	30977	184815	Phytochemical	0.59090906	1.1363636	0.045454547
12	C22 H25 O13 N1	512.1399	512.1407	0.11312395	512.13995	54364	56378	55069	60633	44307	31343	26163	53072	68555	96437	70220	31816	94463	22084	41037	42013	46385	83546	80575	120503	139370	162861	59066	57085	20218	17593	22606	32900	35798	36959	38242	29967	49468	28416	137318	40823	41530	38287	39913	88636	125044	47663	1377	0	0	166056	307812	0	31135	48727	55072	61665	47361	0	95888	58989	31913	34700	58484	42199	50141	89933	112212	69060	27958	63194	39144	42207	45904	39152	52835	32927	35926	33584	35939	32498	0	39580	42581	91532	42776	108572	21967	39196	74105	42290	40385	29707	39608	45104	16920	35544	57056	118831	103946	0	67616	73712	75404	51927	59830	50163	35692	49066	265051	40470	59874	0	24363	103345	Phytochemical	0.59090906	1.1363636	0.045454547
20	C22 H25 O13 N1	512.1399	512.14056	0.057255913	512.1399	28584	29841	37546	39446	50030	45143	6860	22316	53184	47764	20908	14069	92547	24134	27795	18579	14109	74143	65676	69938	84480	67946	28790	22203	12534	13107	13500	13533	18730	16960	21505	15540	18770	16112	60036	22665	25286	15353	9848	44656	40077	21247	2461	0	302	190685	246390	990	12390	23119	35520	36757	37276	331	81031	47775	17585	15425	23081	12312	22935	51931	57158	47300	18468	45020	26761	11677	47752	27326	27465	16954	14460	15306	18359	10133	316	15667	24535	58188	22292	135203	12526	25554	54236	31698	15360	21548	20311	5882	8071	19058	24019	65211	65614	0	34430	44698	44698	28464	41997	21606	14408	21134	200699	14814	52630	0	13008	73971	Phytochemical	0.59090906	1.1363636	0.045454547
22	C22 H25 O13 N1	512.1399	512.14056	0.091335274	512.1399	14332	21451	16565	19235	26120	17426	5118	9475	34294	28901	11297	5798	40461	9769	11551	7203	5139	37855	27683	31877	44191	32583	16434	8726	5536	15208	1690	7333	6916	6696	7701	4805	7677	7448	28354	9325	8144	9793	4067	27258	22458	9933	0	0	441	118357	156832	0	3519	9402	20563	17837	16307	0	37255	16703	7657	10244	9615	4113	7384	34081	23999	23370	9381	20406	10853	4403	19168	10747	21911	9043	6421	9609	6245	3390	576	8101	7282	21400	9907	92805	5984	11894	27922	17074	5933	4848	7684	0	6731	7796	10592	31126	39866	0	17111	22021	20532	13358	18191	9814	9372	11386	116763	5832	28631	0	2192	35087	Phytochemical	0.59090906	1.1363636	0.045454547
10	C22 H25 O13 N1	512.1399	512.1407	0.105677925	512.1399	31495	32261	27769	27425	25140	13342	12331	25123	33760	60860	44291	20859	52406	12795	16686	25869	25371	38033	41030	49892	71282	64085	26192	26003	8091	11216	14682	8717	20363	21556	13550	19162	26475	22350	68201	22990	22951	18527	21560	37076	53684	17664	695	0	0	64010	124174	0	21506	23328	38482	35841	18282	0	43245	33452	17815	17822	18777	29199	22014	32705	58820	36328	16130	34148	18041	29144	24401	15569	22433	18511	19253	24674	21194	16824	0	15841	25075	31209	20534	49218	14489	10034	40165	21685	21067	18431	20084	23786	4694	18802	30765	61833	61068	0	38474	44860	34463	28707	36182	25518	13790	24579	85969	19743	33157	0	11238	51679	Phytochemical	0.59090906	1.1363636	0.045454547
8	C22 H25 O13 N1	512.1399	512.1408	0.17995034	512.13995	10834	11125	8862	10410	20130	4749	3111	12766	16123	25065	15898	7143	31116	4788	7154	11343	11353	22621	22878	15665	26625	31618	10948	8739	1682	4273	4082	7158	3852	10917	7104	3195	10733	5399	39645	6945	6289	4791	9094	13379	29523	14148	0	0	0	18592	49187	0	8316	7077	12449	18461	11697	0	18300	19938	6660	5473	5156	12913	8085	15383	28209	19139	6008	13920	10568	18330	5319	5757	13646	7803	3958	3712	6593	6489	0	6349	9966	7821	6857	19747	3497	5690	21022	8819	7000	8677	6357	22603	0	0	16568	25987	24551	0	10994	14033	13345	18451	15693	5621	5292	8809	16698	9087	15436	0	3605	28795	Phytochemical	0.59090906	1.1363636	0.045454547
26	C22 H25 O13 N1	512.1399	512.14056	0.07714964	512.1399	6151	4662	7398	6771	6581	7473	0	0	5566	14062	4190	0	19850	0	0	0	0	14909	5542	22510	25678	9649	0	0	0	0	1994	0	0	0	0	0	2253	2560	14939	0	2995	0	0	12878	14068	0	0	0	0	49822	75945	0	2198	0	6495	6530	4584	0	6872	0	2807	3418	3658	0	0	10368	12396	7270	2474	6540	2877	2260	11893	14328	13404	0	0	0	0	0	0	0	3885	9975	5579	37494	0	5536	9137	0	2056	0	2771	0	0	1988	5163	7999	15286	0	10768	8707	5461	4629	0	0	0	0	44597	2371	4110	0	0	12053	Phytochemical	0.59090906	1.1363636	0.045454547
24	C22 H25 O13 N1	512.1399	512.1406	0.1305797	512.13995	16686	16386	24662	38066	40414	21698	0	13040	35468	67662	22088	8646	59696	12054	4904	5804	6726	47466	31990	47474	60270	52956	14508	8356	3486	23066	0	13872	6166	6308	6736	5064	11022	5914	60032	4394	6894	12458	3602	38615	34221	5638	0	0	0	132930	211198	0	10282	6122	37042	22202	13664	0	56488	19936	7820	3108	10558	8372	11272	37868	52526	30422	9728	34948	7460	15288	32866	44546	59092	3634	3266	9352	6136	9072	0	8228	17734	27944	16964	117264	7196	18688	38060	16366	6000	7660	11202	0	8264	14804	20484	46868	50828	0	24266	36570	38858	18196	26196	9362	5098	10830	119552	10954	26410	0	2312	44214	Phytochemical	0.59090906	1.1363636	0.045454547
28	C22 H25 O13 N1	512.1399	512.14056	0.051244438	512.1399	8804	7465	5983	5881	7299	6493	1401	2784	6436	19382	4955	1929	13854	3041	3215	3115	2729	9882	6383	26950	24677	9327	3658	4555	0	4269	1142	2873	0	2392	1456	1026	2669	2441	20550	0	2389	0	1698	13534	11008	3055	0	0	0	44519	61979	0	2151	3010	6593	5384	3960	0	7944	5263	1982	1969	3342	1527	3258	13798	9150	4938	2705	7277	3196	1312	11467	14108	14087	2641	2276	3562	2743	2451	0	1437	2489	7282	2623	31871	1193	7204	8119	4189	2523	2834	3722	2242	2727	2404	3906	6549	11025	0	7761	7965	8672	2857	2841	2118	2030	0	39629	2271	6163	0	0	9717	Phytochemical	0.59090906	1.1363636	0.045454547
10	C21 H25 O12 N3	512.1511	512.1521	0.26905507	512.15125	11154	11446	6826	6058	4870	4325	2684	12437	10650	8903	6110	7155	12654	0	10409	10117	11742	10116	7822	4389	8460	16508	14032	12623	2609	0	4911	0	6728	6401	7434	8018	12758	5549	9467	8742	15041	7086	8581	7670	11029	5743	0	0	0	10397	11863	0	9967	9592	10868	10430	6775	0	14240	5110	6432	9687	7135	7031	0	9927	14637	11465	2808	6518	5359	14490	0	0	0	6966	7534	5999	7068	5760	0	9526	9036	0	6964	5731	2582	2317	7676	4429	7747	6305	5362	17031	6588	6397	24233	7937	5993	0	12688	11978	5103	5594	4912	11634	8293	8499	0	11823	5873	0	4916	16755	Peptide	0.5714286	1.1904762	0.14285715
12	C21 H25 O12 N3	512.1511	512.152	0.19893348	512.1512	3515	6513	7219	7917	6233	3413	4256	7134	5835	0	2904	7650	9806	0	9323	7330	7040	9513	9541	4496	4886	0	8988	6747	3666	0	3457	0	8334	4450	4507	5807	13076	6567	8353	5536	9937	8125	7753	6602	8114	3979	0	0	0	6518	10215	0	6114	7507	7298	7278	5859	0	10843	6688	4063	6927	7721	0	0	0	16064	9478	3050	12261	6594	12487	0	0	0	6375	5927	5508	5938	3703	0	8531	8019	0	9290	6509	3193	2167	7088	3355	9281	5507	7851	9997	0	10745	20485	7386	1684	0	6340	11104	3109	5129	2847	10027	8146	5372	0	6758	6490	0	6228	8437	Peptide	0.5714286	1.1904762	0.14285715
22	C26 H25 O10 N1	512.15515	512.1558	0.039971516	512.15515	12326	15818	11184	13796	16442	7276	2748	3740	15355	57381	30742	1906	12970	0	5063	6379	2597	16693	15113	39613	50112	34151	5185	6803	3563	33680	3963	29322	2341	3352	4575	0	4884	1901	75943	0	4504	3268	3595	33409	27315	6087	0	0	0	35168	33780	0	0	1414	15820	15106	9813	0	12680	7416	4815	3870	3762	1756	4937	18517	15730	12273	6740	15131	10423	0	34342	45176	51471	2910	1907	0	0	0	0	2987	8673	21802	7811	20930	3658	24059	14571	6075	6671	5605	5445	5225	8137	13563	6597	32087	47412	0	11257	9832	12318	13030	8245	5520	0	2869	21709	3814	12679	0	3645	20398	Phytochemical	0.3846154	0.96153843	0.038461536
18	C26 H25 O10 N1	512.15515	512.1559	0.056467723	512.15515	25469	17850	19728	16668	16476	8629	4079	2995	17441	94049	55421	3453	20684	7145	4620	6203	1837	14393	24936	64108	67197	42794	7005	6061	4167	52132	3552	38641	4522	2238	6292	2975	7565	0	105134	5279	7709	3761	4063	49327	42619	6763	474	0	0	27969	28676	0	6496	2433	16900	19176	10683	0	18516	12712	7540	6192	7289	4235	5505	28392	31841	15412	8528	20561	12091	3836	52740	80538	77606	5055	2408	1620	4200	0	0	2115	15510	33419	6835	23054	4533	33990	16547	11331	11311	9509	5765	10318	17939	21091	11004	40542	70957	0	16875	23282	17005	17818	13240	4502	3217	4987	22656	9570	11745	0	5642	21434	Phytochemical	0.3846154	0.96153843	0.038461536
12	C26 H25 O10 N1	512.15515	512.156	0.124458	512.1552	2879	5316	3728	2851	4615	1991	0	0	4725	22478	12915	0	4722	2434	1674	2066	0	2054	3381	19635	20722	7234	0	0	1644	16547	0	10325	0	0	0	1399	0	0	33477	0	0	0	0	6804	13196	0	0	0	0	6692	16532	0	0	0	0	4834	1126	0	4762	2959	892	3232	0	0	0	6539	3401	2804	0	4476	2321	0	17099	21754	32500	0	1160	0	0	1381	0	1024	3327	0	2036	4515	1446	6498	3845	1514	1853	0	0	0	0	3191	0	11830	11427	0	2922	3784	1862	3811	3401	0	0	0	0	0	2973	0	0	6201	Phytochemical	0.3846154	0.96153843	0.038461536
20	C26 H25 O10 N1	512.15515	512.1558	0.04521397	512.15515	19047	24129	14632	16127	17325	14548	1884	3122	19040	88051	53059	1897	24415	8179	7299	5164	4090	13243	18131	62329	60280	41674	7870	6775	5638	60241	3786	43049	5584	3268	3465	3334	6061	4112	115764	2159	8999	4816	4266	51899	45173	6800	977	0	0	36432	40373	0	2167	2298	16471	21637	11976	0	12196	14099	6401	7786	9810	5696	7293	36556	29504	14521	5243	19199	11278	3246	52240	76564	73835	2173	2875	0	4332	2313	0	4026	13981	34455	6746	25712	4657	33242	17935	9894	9354	6402	9229	8014	12700	16010	15423	48992	56727	0	18053	19924	17377	11884	12824	4680	2411	12115	22965	7100	13326	0	4315	22677	Phytochemical	0.3846154	0.96153843	0.038461536
14	C26 H25 O10 N1	512.15515	512.1559	0.0749752	512.15515	3474	7711	3852	4821	5973	2625	0	2752	6776	39202	21457	1654	8651	4482	0	0	0	3951	7796	24213	34481	19846	2858	6400	2213	34707	2136	17726	1874	1431	1375	0	3783	0	49768	0	3285	3032	2160	18362	12965	2300	0	0	0	11289	13386	0	2126	1830	5277	7118	5717	0	7438	6055	2927	5324	0	0	0	10263	7397	6451	2138	10150	2645	3630	32833	37141	33448	1396	0	1186	1608	2550	0	985	3075	0	2328	8933	2643	11166	6175	0	5193	4605	3288	5110	8101	8982	4365	13161	22683	0	6052	8141	6603	8894	4751	4231	0	0	0	2575	3526	0	2323	7862	Phytochemical	0.3846154	0.96153843	0.038461536
24	C26 H25 O10 N1	512.15515	512.15576	0.01773101	512.15515	7668	5232	5592	9374	4704	5711	0	0	8801	32343	14405	1656	6750	0	1506	0	0	5570	9098	18436	19982	15017	1757	1466	1907	16087	0	11488	0	0	0	1396	2421	0	30116	1383	1968	1417	1643	15572	14031	0	0	0	0	14482	21657	0	0	0	7015	5967	4009	0	9622	4539	3744	2530	2316	0	0	11699	10538	5534	2673	6423	3791	0	17842	20933	28877	1098	0	0	0	1035	0	0	4487	11812	1061	13162	0	13930	8596	4488	2984	2517	2841	2987	2616	5068	3809	21292	22699	0	6952	6121	5677	4313	4632	3689	842	1788	8325	1837	5436	0	2827	7457	Phytochemical	0.3846154	0.96153843	0.038461536
26	C23 H29 O12 N1	512.1763	512.1769	0.0760693	512.1763	9163	8602	7306	9896	8928	9545	0	6368	9987	25638	5278	0	17403	5106	0	5228	0	16618	9928	32698	29798	8755	7235	7951	0	10663	3000	3574	5734	0	6198	0	5060	4942	23189	6152	6699	5271	2412	16397	9937	0	0	0	0	42536	53996	0	6550	7865	10529	10951	7337	0	11517	0	3512	4566	4042	0	4381	12065	13166	9251	2576	6940	4692	0	15182	29439	22066	6194	6004	0	0	3386	0	3374	6080	0	5096	21235	3961	10594	8400	0	0	2731	3551	1850	3663	6691	6285	5292	9460	0	9014	9329	7271	5355	0	4924	0	0	22789	3897	5294	0	2577	16878	Phytochemical	0.5217391	1.2608696	0.04347826
24	C23 H29 O12 N1	512.1763	512.17694	0.04561714	512.1763	40142	40190	37486	37006	29234	34102	6384	34522	38640	91912	24064	19896	75978	13082	23426	31210	6152	55780	51308	89872	89182	47038	40458	31644	16078	54330	11414	13124	24958	19216	22086	16386	17812	23264	71742	27322	30264	20924	8088	57202	31372	17264	0	0	0	150412	172746	0	20782	30328	31820	37090	27928	0	52728	33644	14714	17778	24752	15408	24816	48120	48518	42508	12134	35924	20874	10792	52462	75626	60163	40624	26192	26814	21882	11734	0	19398	28180	17798	22320	101190	13478	43098	41964	28288	17882	15022	17930	12384	10604	18550	31506	26404	40150	0	35422	41288	33408	21276	22188	23652	12986	29882	115658	15988	30132	0	16998	67528	Phytochemical	0.5217391	1.2608696	0.04347826
20	C23 H29 O12 N1	512.1763	512.17694	0.042172283	512.1763	117261	102899	0	91923	101077	101399	39783	109407	108926	191183	76266	55288	177588	60047	90912	79247	49671	172281	147476	265836	220732	125914	93879	88005	68017	134893	39383	52686	0	92537	81563	74994	87094	2087	218089	84479	95421	61260	40350	166795	93325	60843	4829	567	448	355643	299076	582	74773	92926	105347	110423	84843	884	152348	90242	53560	71483	80922	42146	82431	138246	0	93838	51075	102487	65901	38807	123493	181956	128170	0	0	99810	69628	78316	368	72100	70902	80356	57857	208326	49349	123179	111741	71226	54399	0	63985	35582	49349	82123	105076	82166	124628	868	101269	125630	99117	63222	75478	82486	57018	104643	271923	78037	96482	0	58005	156871	Phytochemical	0.5217391	1.2608696	0.04347826
28	C23 H29 O12 N1	512.1763	512.17694	0.097043306	512.17633	7153	6955	6553	7016	3273	5526	1646	4641	5155	21270	5484	1091	10398	1409	2682	3472	2470	7311	8111	28062	25119	5658	3473	4589	2463	10883	2798	3283	5440	3957	2099	4092	3236	4425	21411	0	4645	2216	3204	14734	8893	0	0	0	0	28038	32811	0	3791	6925	6577	5405	4428	0	7807	4442	2873	3144	2855	1952	6363	9219	7069	3897	1604	4537	2381	1747	11107	23713	16550	5387	2738	3701	3653	2388	0	2528	4916	2577	3543	16362	3504	8378	7091	3461	2869	2390	2760	2085	5108	4450	4610	4645	5237	0	5670	8428	5819	2961	2698	2614	1557	2910	14789	1751	2783	0	3491	8070	Phytochemical	0.5217391	1.2608696	0.04347826
8	C23 H29 O12 N1	512.1763	512.1771	0.078470744	512.1763	18717	13751	13736	15357	8710	7243	7829	18152	14204	27291	14568	11185	23643	5010	13100	15623	14847	15292	20722	30199	32464	27273	16553	18307	7964	7141	10848	7696	14553	14973	13674	13640	13880	10999	40324	16161	17922	10767	16317	18610	29137	7022	0	0	0	28867	34366	0	17009	16810	15122	16592	7683	0	19287	12129	6337	15459	11650	17231	18275	16134	19611	14128	5870	16501	12135	16876	7993	9285	17527	12865	14483	12911	10380	13845	0	11962	13252	16309	12325	13362	8309	10232	13936	8158	10563	8727	9469	16930	0	14884	19710	16724	27637	0	14016	22214	12070	13592	10275	17005	9885	21440	14759	14536	10542	0	8347	20530	Phytochemical	0.5217391	1.2608696	0.04347826
22	C23 H29 O12 N1	512.1763	512.17694	0.02925193	512.1763	45430	46130	41186	44782	44657	54695	16554	44654	54129	91580	31085	24154	74793	24194	35126	33186	21154	70270	74827	124471	107883	40433	40958	39392	28198	53395	14615	23350	43679	34654	28955	33726	34549	36194	78486	38526	31220	27993	18587	79168	42654	23630	0	0	393	175761	161475	0	35840	43801	46421	45089	41559	701	75175	40898	21633	29764	30082	14953	35214	59085	57865	45650	19489	41782	22346	13376	51230	93496	61630	0	38221	43275	24333	27651	459	29866	34377	29354	30161	100896	23125	43848	58215	35545	23850	20401	30681	15170	26960	28983	39642	30936	74688	0	43562	53386	52907	32803	41595	35646	19264	45818	136298	30442	49413	0	24238	81057	Phytochemical	0.5217391	1.2608696	0.04347826
14	C23 H29 O12 N1	512.1763	512.17706	0.0768108	512.1763	165401	164435	152659	169090	99247	99983	99587	210955	131399	338249	163577	98747	185398	64669	164508	154654	109418	196020	180837	356117	375240	259941	151061	195601	111330	153213	79021	140868	183395	176103	0	176742	170399	123193	404783	179455	138930	113417	96108	252245	214403	106951	6132	409	0	423053	418703	0	151916	179796	151929	154509	99253	293	192739	106922	71282	138138	230655	115316	233323	207773	141711	135795	67228	126265	0	86877	224354	205406	167173	156980	150175	199389	123121	146263	0	122319	114652	165061	103446	227822	97936	143286	123863	99825	98223	77871	95485	95251	109731	144816	202738	158593	211866	974	167899	200381	115219	84444	94882	182584	113148	221913	430691	117563	112806	0	92974	144288	Phytochemical	0.5217391	1.2608696	0.04347826
2	C20 H33 O12 N1 S1	512.1796	512.1807	0.0461653	512.1796	87616	67388	73297	70275	1887	0	15804	232466	0	0	0	17280	1728	1914	6948	213136	42717	1953	1230	0	4218	38652	8790	671216	30608	0	24388	0	56196	57420	44251	27440	183973	24576	1890	22632	402872	7692	58101	0	0	0	0	0	0	31420	0	0	61044	34516	80896	86448	10288	0	1410	993	0	650408	987	0	297576	1470	3576	2220	0	12598	1383	79092	0	10908	6516	42569	20604	16840	53016	48640	0	33680	1824	0	5709	0	0	0	1998	2808	421	16737	2001	0	0	0	133741	1212	0	0	66308	86816	0	2163	2025	445612	34472	1158	999	421392	1482	0	22677	1689	Organosulfur	0.6	1.65	0.05
14	C22 H29 O11 N3	512.1875	512.18835	0.15925473	512.18756	8640	9579	10662	13128	4038	7551	9647	16969	5140	9730	5110	5252	7317	2631	13060	13775	6051	8331	8402	7230	5906	0	12064	17188	13573	0	9246	0	16671	10933	11970	12510	17445	12442	11682	9256	14397	12852	10171	11483	0	3793	0	0	0	0	0	0	10383	9913	8864	11348	4637	0	11316	3008	4279	11111	19279	0	0	0	5183	7564	3359	4525	6548	10801	0	0	0	8675	12154	12678	6922	8769	0	8267	10621	0	9547	4906	9000	0	1859	4967	11958	0	8710	17902	18222	22842	26384	0	7738	0	8984	10246	4018	0	0	17554	10016	13935	0	11723	2675	0	9842	12101	Peptide	0.5	1.3181819	0.13636364
2	C22 H29 O11 N3	512.1875	512.1888	0.3214693	512.1876	4900	3884	4216	6624	3784	0	0	6088	4048	1368	0	4556	4124	0	4100	0	9696	0	6352	0	4212	8276	7428	3824	1852	0	0	0	6396	4868	6992	0	9688	6780	4000	5004	4151	4776	7756	0	4500	0	0	0	0	1860	5188	0	4768	4376	6172	5952	4452	0	6632	3328	2924	6704	2152	4752	1508	1076	8100	5740	0	7608	5024	12360	0	0	0	3420	5340	0	0	3680	0	4952	6652	0	5112	0	2032	1300	3804	0	3180	4996	5724	22636	0	0	12664	1652	0	0	5212	4412	3704	4284	3728	4504	3880	3175	1924	11620	3104	0	3200	6852	Peptide	0.5	1.3181819	0.13636364
6	C22 H29 O11 N3	512.1875	512.1884	0.074031375	512.1875	31810	33104	24544	34464	17494	13612	13684	37728	27944	29422	18094	22206	29418	4140	20418	42710	34108	29958	36438	27414	33410	51840	30790	45947	16138	5165	13442	0	29084	27070	28684	29712	36778	23210	41664	27080	35452	20166	37372	23304	41160	19158	0	0	0	30170	33910	0	38202	31098	28194	28904	15000	0	34984	19164	11666	33958	24966	27704	34430	18714	39274	24374	8266	25818	21256	43234	6360	7911	9920	30382	28676	22460	18082	25174	0	19440	25296	0	19092	16912	17438	9576	21148	10950	23226	22860	21786	54368	17946	32800	65540	26656	25284	0	30660	29358	12528	19922	15942	34848	17448	32272	0	35172	16696	0	17649	38440	Peptide	0.5	1.3181819	0.13636364
24	C27 H29 O9 N1	512.1915	512.19214	0.024974708	512.1915	9809	9096	8916	8497	7642	7829	2533	3475	7991	37469	25017	2780	10035	6533	3420	3775	2213	7709	10181	34794	33941	16179	4324	6597	3479	39962	3365	21949	5596	2412	3113	2543	6368	3362	33145	2908	5635	2402	1983	29436	26077	1944	0	0	0	20158	19071	0	3854	3907	10533	10919	5056	0	7416	7574	2889	5807	3976	3385	6370	18268	7782	6864	3115	9278	6717	1744	39948	50575	53594	2379	2575	2453	0	2659	0	2247	5027	9178	6093	11955	4846	17882	12083	6631	4629	6994	5665	7278	8563	9039	12674	15369	20973	0	9634	9515	8653	8321	9224	5471	2173	7244	10207	6184	8641	0	4304	12666	Phytochemical	0.33333334	1.074074	0.037037037
26	C27 H29 O9 N1	512.1915	512.1922	-0.01056506	512.1915	4227	3870	5702	4297	0	0	0	0	2885	16243	9015	0	6428	0	0	0	0	0	0	8951	10311	4359	0	0	0	14694	0	6917	0	0	0	0	0	2187	16730	0	0	0	0	9997	12347	0	0	0	0	0	12755	0	0	0	4406	3716	0	0	0	0	0	0	0	0	0	9271	6136	2520	0	5210	2946	0	19181	23100	33525	0	0	0	0	0	0	0	2899	0	0	3479	0	5409	0	0	2334	0	0	0	1913	3997	0	5804	9082	0	3288	0	0	1997	0	0	0	0	0	1999	0	0	0	2657	Phytochemical	0.33333334	1.074074	0.037037037
18	C27 H29 O9 N1	512.1915	512.1922	-0.013868329	512.1915	21607	20086	15041	23754	13673	8152	6508	14351	14432	75381	40817	5835	12904	11482	9511	11687	7593	16876	21119	65256	66135	32302	9225	11348	11242	69857	4151	45268	9771	6432	8501	6345	10867	10862	75578	8353	10314	5502	5596	46342	37519	10553	280	0	0	22464	24426	0	12524	5258	20499	19581	8541	0	13337	14163	5911	10015	7279	8228	10865	26522	15163	18625	6913	11961	11070	9073	64868	94570	94086	7797	7667	5078	8354	0	0	8033	17116	20907	14714	13426	12203	29995	11496	7565	15170	11688	11686	20042	14826	22878	19072	21984	38455	0	26335	20692	14028	12631	12405	11949	4693	10410	15226	12521	7347	0	9290	15663	Phytochemical	0.33333334	1.074074	0.037037037
20	C27 H29 O9 N1	512.1915	512.1922	-0.014937854	512.1915	23312	27940	25685	24458	21155	11522	6588	9788	31241	79567	61304	4789	25668	15065	7417	11211	5942	17433	24736	83246	81210	31036	7808	18049	12620	90144	7148	57044	10646	8466	9101	7774	16412	9928	95515	8888	11691	7869	8869	63822	61971	10829	0	0	0	36246	32620	0	7106	9473	20754	26428	13541	0	18750	16456	11915	10779	11389	9178	11471	37316	25843	18497	10897	12438	19265	13971	75037	105279	107283	11267	8433	4832	6413	7731	0	7581	17834	34613	9022	18005	10588	59781	13889	10391	17658	13906	13774	17160	19997	25904	27296	35096	55688	0	26833	24518	18162	16916	11660	16372	7674	17376	26677	15964	15752	0	10697	26515	Phytochemical	0.33333334	1.074074	0.037037037
14	C27 H29 O9 N1	512.1915	512.1922	-0.002024484	512.1915	4204	0	3780	7806	3510	4139	2408	2807	1189	22514	21777	0	6387	4504	0	4530	0	0	4278	26015	25971	10922	3000	5076	5602	26723	0	10673	1438	0	2921	0	2461	2564	33855	2921	2461	1560	4691	17186	20089	3093	0	0	0	8788	8765	0	3649	2946	8230	6930	2308	0	4953	2801	1497	4564	0	5480	0	10252	3899	0	2017	5312	2695	2929	18745	44607	30267	2634	0	0	2381	3272	0	1172	3564	0	4574	5155	4497	10355	2732	0	6354	3567	4515	7205	5269	5154	7170	4356	11533	0	5324	6179	3190	1567	3816	0	1918	3224	0	4644	2007	0	2975	0	Phytochemical	0.33333334	1.074074	0.037037037
22	C27 H29 O9 N1	512.1915	512.19214	0.02225711	512.1915	22680	29206	20745	17800	22429	14718	4812	5765	20121	84167	57282	5182	15214	12502	5023	8915	5593	27927	19030	54836	57061	28906	10971	13958	11180	76706	4577	50437	8106	6676	8132	10574	16027	9493	75227	7119	15319	6081	6157	56756	47087	10284	0	0	0	40487	38401	0	7833	7048	20344	24057	18518	0	16517	20934	10508	13836	5540	7676	7995	33249	19994	13786	7516	20752	12136	4621	73023	93536	99054	6700	7412	6394	4144	6448	0	5261	10669	20927	8968	16983	6887	38090	23117	15878	15709	11681	9523	12293	13384	20311	19895	27719	36514	0	16853	20347	18125	16621	14080	8328	5680	14576	18010	9849	16632	0	8538	18542	Phytochemical	0.33333334	1.074074	0.037037037
12	C27 H29 O9 N1	512.1915	512.1922	-0.08315108	512.19147	0	0	2384	0	1408	0	4458	0	3246	13536	9918	1688	1766	2084	1552	0	0	0	3982	14519	18120	0	0	0	1771	17027	0	0	2130	1103	1655	0	0	0	23785	0	1845	1328	2225	9878	10156	1681	0	0	0	0	5540	0	1886	0	3671	3198	1701	0	1439	1819	1443	0	0	0	0	5143	5489	0	950	2723	0	0	20194	24228	21283	0	1352	0	1732	2535	0	990	0	0	2470	2663	0	5873	0	0	2691	0	1087	0	2737	4630	0	7558	8105	0	4401	4006	0	4537	1966	0	1507	0	0	2311	1229	0	2104	0	Phytochemical	0.33333334	1.074074	0.037037037
2	C20 H33 O14 N1	512.1974	512.1988	0.61821353	512.1977	2297	2390	2185	2099	1824	38515	1886	2850	2025	600	0	2085	3361	1277	2084	450	3755	3942	0	0	712	1813	1679	3081	591	0	0	0	4091	2229	2226	3226	4015	8383	879	2831	2811	1542	4793	0	0	0	0	0	0	572	819	0	3874	2503	3308	2354	2240	0	2516	931	680	3781	603	802	717	218	3106	1766	0	5168	2271	3976	0	0	0	8325	5310	2607	0	2404	0	2398	1776	7262	1224	0	366	0	1501	1676	2501	3788	2383	5365	7809	2473	6251	1642	0	0	2227	3330	1325	0	1530	3003	2176	0	476	3463	1565	0	2132	3731	Unclassified	0.7	1.65	0.05
6	C29 H30 O6 N1 Na1	512.20435	512.20544	-0.2593481	512.2042	2152	1087	1202	2853	899	641	0	1516	766	3536	0	973	904	0	1457	2156	0	871	872	1595	3501	2342	1040	2435	1783	0	643	0	1409	549	1928	0	2011	1250	2799	1714	1736	2285	1444	2587	2947	1177	0	0	0	1896	2112	0	3924	2009	1304	1280	0	0	1180	623	631	0	0	914	3031	1959	0	0	0	838	763	0	1561	2455	3107	2060	940	1574	22721	0	0	804	1615	0	1167	1000	647	1527	0	0	1586	944	619	2448	0	1145	4625	1143	2399	0	2380	1492	0	0	0	1374	749	1471	0	2291	772	0	1680	854	Phytochemical	0.20689656	1.0344827	0.03448276
16	C24 H33 O11 N1	512.21265	512.2134	0.047424562	512.21265	232651	233340	217344	218194	159802	133542	152629	343180	178946	389386	191360	166701	224533	88431	254083	267326	169398	251696	289566	520788	438977	224124	264095	326076	219317	327981	129820	161382	291067	284099	253615	259867	268513	209655	414347	303980	252645	175983	137925	311922	203335	142942	5907	776	531	403010	291125	0	262321	305461	225985	227327	140111	987	264095	147933	105867	229319	255046	128092	323595	201040	195772	161394	89442	162268	140949	127755	264725	408061	274711	278777	267123	349404	195970	239236	0	198683	190652	143516	166480	219599	183543	197642	187090	126924	163192	0	151040	141711	204264	227621	337194	138444	255615	2334	248201	298946	147901	109996	139861	290116	160064	319840	242761	239700	160241	602	165483	209860	Lipid	0.45833334	1.375	0.041666668
28	C24 H33 O11 N1	512.21265	512.2133	0.081169575	512.2127	6065	5457	4830	3934	5499	3837	2057	4583	4999	21778	4569	2629	13290	2876	2507	4294	3091	8668	5745	21911	21856	5114	4689	8033	3652	11288	1356	5060	4997	3850	2908	3911	4796	4724	18967	2513	5082	2226	2013	9321	6015	2497	0	0	0	10907	9038	0	6000	5030	5230	5113	3362	0	6202	4182	0	4604	2035	1763	5011	6348	7403	2835	2410	5914	2317	2108	10547	26362	19291	6847	4336	6611	2805	1929	0	2869	4770	2536	2910	7350	4653	7235	4783	3582	4618	3234	1569	2100	3806	7189	6960	1806	5634	0	4842	6040	3948	1657	4465	3977	1877	5753	6882	4323	1644	0	3163	12749	Lipid	0.45833334	1.375	0.041666668
24	C24 H33 O11 N1	512.21265	512.2133	-0.013899051	512.21265	36925	32953	33959	36679	37820	35621	9321	34408	33590	101834	21602	19612	73606	16577	31975	31441	16412	52176	51910	75150	74752	29678	32199	34685	22248	55667	8042	19532	32976	26940	31720	0	0	27831	84758	30078	0	23270	15944	52586	31773	15263	0	0	0	80198	59181	0	0	37244	42082	33282	26015	0	55847	33178	15539	27115	26306	11829	30246	38291	42240	42995	13878	32028	20196	12221	47035	92964	61064	37130	29337	34435	18967	24810	0	0	29192	10657	25320	40799	19233	27142	41675	21101	22913	10926	19817	12564	24111	23071	0	18444	36980	0	0	37276	29369	20652	28261	26264	16097	34475	48929	27050	25282	0	16471	65568	Lipid	0.45833334	1.375	0.041666668
26	C24 H33 O11 N1	512.21265	512.2133	0.017456088	512.21265	12993	8649	15775	10521	15615	12085	2244	19989	13875	36047	7685	7753	21264	5735	7363	6289	0	33063	14365	35707	44034	11612	11268	10639	9317	20524	3033	7852	7884	8626	12250	8659	9100	8400	41273	8595	12903	6484	4434	17269	10947	0	0	0	0	32127	20098	0	11620	10882	11310	11671	8471	0	14118	8646	4720	8796	6912	4103	12400	11026	19504	12450	3752	12852	4289	4410	25323	44190	29210	14498	9099	0	0	5686	0	9357	9897	0	9815	11455	7419	9686	11860	9074	6983	5208	5885	6879	12626	12301	13538	6480	12221	0	12921	12423	9620	8432	8257	8448	6187	9611	14819	7200	6171	0	8511	28170	Lipid	0.45833334	1.375	0.041666668
8	C23 H33 O10 N3	512.2239	512.2248	0.16141637	512.22394	17044	13886	10732	15750	6534	7096	6508	16766	6372	11905	7552	5708	8558	0	19224	21018	4462	8846	13284	19824	8497	23641	12380	23979	20630	2676	5704	7356	16956	17823	16028	16362	22286	16498	21798	19676	20896	9328	12624	25098	6688	7462	0	0	0	14628	6126	0	16852	13744	15080	9614	6912	0	12320	4380	4296	27114	10744	7998	16540	3890	7832	9236	0	10330	9826	10492	0	4670	4595	18128	18160	12784	8834	15636	0	9486	15978	5892	6178	6470	11852	5969	4664	0	9046	8445	10656	29980	29782	45006	43142	5742	9960	0	15919	15640	0	3142	3676	14428	8552	22212	0	22804	5266	0	14578	16884	Peptide	0.4347826	1.4347826	0.13043478
10	C23 H33 O10 N3	512.2239	512.2247	0.15347171	512.22394	8154	5892	8244	5844	2668	4658	5727	8475	2326	7216	1973	3747	2973	3188	10263	9878	2703	5712	4717	4676	3640	11320	7054	8906	8966	0	4317	0	9174	6719	8600	8309	16969	7151	9083	10783	13294	6433	4224	5796	2543	2324	0	0	0	6328	2516	0	8358	8445	6794	7937	3298	0	5395	1308	2636	14367	8178	3969	0	4464	1901	3103	0	2902	3978	7181	0	2071	0	7679	6462	5431	5436	5339	0	6874	5387	0	2761	2959	5229	3618	1837	2640	8310	3026	3720	9767	15420	15338	23692	0	4987	0	9019	7939	1393	1407	938	11778	4748	8320	0	10694	2946	0	5573	2762	Peptide	0.4347826	1.4347826	0.13043478
14	C28 H33 O8 N1	512.2279	512.22864	-0.063563816	512.22784	0	0	6364	3038	2190	0	0	4595	2166	14735	8893	1808	0	2260	2351	3790	3748	1368	4387	18947	17611	0	0	4126	3585	18207	0	9798	2316	3494	2079	0	3447	1464	16818	2141	2226	2371	3718	8777	6462	1474	0	0	0	6921	0	0	4976	0	2047	2632	996	0	2734	1438	1583	5426	0	0	0	3898	0	2704	0	1365	2133	4422	0	18412	20320	3336	1148	0	2318	2992	0	1514	3495	0	1246	0	1081	8335	0	0	2520	2103	0	8202	9668	3966	6065	3179	4852	0	3894	6750	1404	0	0	3814	1689	2619	0	2304	924	0	4338	0	Phytochemical	0.2857143	1.1785715	0.035714287
16	C28 H33 O8 N1	512.2279	512.2286	-0.0319145	512.2279	6870	6533	8327	6025	2217	3088	4380	6219	4152	16924	13237	3200	1942	2121	4667	9008	8577	0	4972	20362	19832	6577	2476	11782	3877	27908	1439	11943	3349	4900	4562	6630	5752	5652	20363	6004	2135	3760	8964	13591	16919	3654	0	0	0	7195	11060	0	4588	4808	4873	6203	2370	0	2210	1998	4222	5204	3297	5521	8003	4121	1643	1737	2366	1534	2130	7241	17055	34939	31195	3221	2446	2921	6362	5886	0	4178	7438	11715	5806	1817	6098	9399	6439	2728	9668	4020	3366	0	14946	4941	0	4383	14193	0	3602	6850	1879	2520	4062	4357	4444	8097	0	0	1438	0	4161	2925	Phytochemical	0.2857143	1.1785715	0.035714287
22	C28 H33 O8 N1	512.2279	512.2285	-0.036374364	512.2279	32490	22062	31776	25788	19856	15012	9752	19663	17590	66984	55464	10217	17844	17382	15338	26636	19517	21011	31757	69273	75136	30469	20189	27818	21098	104282	10177	53674	25906	20892	17925	18212	26286	21018	58811	19472	26572	12425	16844	53656	49489	19423	0	0	0	30196	37672	0	23014	18882	21390	33028	24959	0	16056	13170	11902	25443	16039	15903	25326	36645	16411	15930	9259	18071	23131	24491	89104	109546	120227	14804	13449	13399	11932	17224	0	12775	22178	23440	19393	22702	18823	40699	16931	13723	35775	18598	19732	38717	42870	38213	48715	24641	32618	0	31993	24548	12448	15630	20227	29626	13223	25925	25744	23752	17446	0	17219	21823	Phytochemical	0.2857143	1.1785715	0.035714287
24	C28 H33 O8 N1	512.2279	512.2285	-0.003625071	512.2279	15978	15457	14636	21349	14727	8646	3539	14814	11624	35506	39429	6289	14280	11515	7299	11740	7656	14438	17812	49996	44901	20501	12519	23063	11162	70379	2830	44099	12886	8061	10894	11873	15033	13640	46918	10353	17413	6731	11224	33990	36361	9210	0	0	0	26073	24847	0	13625	8431	15613	15637	12029	0	9513	10657	6556	14903	11904	10028	16322	26597	11869	11556	8641	15354	15428	8099	69642	75664	87500	13236	10982	5149	3665	9868	0	7208	16392	18322	8474	10838	8787	32417	16261	8046	12260	11394	14049	19132	16920	19016	24228	20790	21070	0	15961	19244	13622	12519	12800	10978	6716	18312	19002	22223	13048	0	8990	12950	Phytochemical	0.2857143	1.1785715	0.035714287
28	C25 H37 O10 N1	512.249	512.2497	0.07042014	512.2491	3600	3293	3794	5170	4263	3092	2153	7251	3942	15971	1529	1049	7383	3172	1979	5302	2478	6843	8302	13816	13260	4657	3432	5518	3048	8067	1378	4240	6312	3162	3174	2743	5908	5498	15604	4881	5987	2432	2236	7701	3458	2894	0	0	0	7120	3804	0	6423	3936	4993	4041	2183	0	6498	2280	1801	5554	1847	0	5115	1955	7637	2995	1636	6599	2547	2961	7813	21412	14496	4019	3013	3607	2621	3780	0	3319	5721	0	4516	2092	2538	5232	4532	2486	4427	2144	3081	4103	2784	6867	7265	1733	4680	0	4472	6119	2630	3123	1973	3401	2034	6671	2404	3105	3065	0	2266	8197	Lipid	0.4	1.48	0.04
10	C25 H37 O10 N1	512.249	512.2499	0.10378192	512.2491	9882	8056	7169	7652	4240	3474	6396	12328	4415	10625	4866	6060	5748	3238	8202	13269	8806	2649	6050	12675	8456	10016	6972	10839	6477	3576	3980	7634	15277	12480	9683	13272	15141	8782	18306	14076	14156	4742	6019	9557	7088	4695	0	0	0	13880	4578	0	10607	9394	7688	8039	4541	0	7814	2421	2792	12647	4796	3811	13406	4306	2702	5400	1740	4378	3646	5068	0	7200	3955	6716	11600	13102	4966	8968	0	7727	8760	0	5086	3960	5308	4597	4158	2904	6139	3221	4682	7469	8469	10120	21405	4546	7220	0	11375	9077	2060	1988	3121	9820	5174	12100	0	10520	3337	0	8763	4230	Lipid	0.4	1.48	0.04
22	C29 H37 O7 N1	512.2643	512.2649	-0.041679356	512.2643	20624	18703	18026	17260	7732	11082	10852	17887	10349	18132	32346	12074	5893	11593	15364	27882	22830	9937	12167	34153	33259	17935	14224	20394	18862	61671	11089	27379	19222	21164	14065	16939	22128	17748	8440	14311	16697	8257	21519	27027	34616	13231	0	0	0	18230	20764	0	14656	18068	13614	18939	10502	0	7751	9213	9155	26189	15866	17987	22703	17002	9473	9372	5488	10821	14371	22820	49873	48389	54576	16542	14986	15529	15157	15184	0	9426	18073	16799	12206	8825	12921	25123	10661	7686	22099	14981	15262	25234	23145	12739	33742	10502	18120	0	14357	19104	8889	9721	11782	26159	11889	23324	12625	17386	8799	0	15096	6278	Phytochemical	0.2413793	1.2758621	0.03448276
24	C29 H37 O7 N1	512.2643	512.2649	-0.015395992	512.2643	21060	21281	21465	19664	18709	11143	9927	20713	12656	24911	32786	13416	15235	13025	10777	25701	23422	11797	23889	41273	34870	13118	18218	25001	19867	89319	10996	40384	21191	19675	16921	19021	23445	19381	29005	22657	22079	12907	19912	34164	34827	15969	0	0	0	22320	17666	0	21551	20279	23835	20442	16990	0	10550	10439	12861	26137	16531	16205	25691	20793	9620	11549	7448	12030	18676	19380	65121	55159	70665	20504	19952	16333	14015	17255	0	10742	20312	18107	13955	15706	12102	25671	11273	6970	28804	14371	14573	25996	27039	20531	35693	17188	16591	0	19017	19137	9723	13747	8122	26843	9911	23720	9975	24092	14995	0	17017	9761	Phytochemical	0.2413793	1.2758621	0.03448276
20	C29 H37 O7 N1	512.2643	512.2649	-0.06858865	512.2642	10012	10616	13073	5162	3013	5179	7266	9816	2820	11359	12855	7259	0	3748	4781	17713	13986	1692	3773	14823	19964	6423	5046	13783	8386	27640	7021	11759	5931	10534	8773	11099	11228	6498	13505	10330	7044	7369	14098	14767	17102	5308	0	0	0	5268	5810	0	11064	6455	5909	8315	4665	0	3349	1613	1948	11054	4447	10359	9893	4475	3834	1893	4185	1823	6590	18146	21727	19720	27794	3546	5807	5167	8568	13122	0	6728	6403	9344	5420	5243	6776	7947	4617	2871	16030	7293	3382	22269	13904	10762	15955	6948	5643	0	8084	9030	4170	4410	2319	10012	4336	9548	2844	8774	2175	0	10327	3982	Phytochemical	0.2413793	1.2758621	0.03448276
26	C29 H37 O7 N1	512.2643	512.2649	-0.01328187	512.2643	6425	8825	8681	8934	7711	5180	3364	9843	5856	10001	16127	6424	6984	0	6318	11158	7592	0	10290	18712	24155	9235	5820	9720	6228	54070	1979	23418	10311	7412	10840	7258	12873	8520	11777	9717	13081	6569	7762	20877	18722	0	0	0	0	10417	0	0	6756	6978	12400	9753	6749	0	4884	0	5904	10867	7684	5854	13809	9936	8801	6110	0	5588	9774	8851	41191	34030	39366	8872	8081	8323	0	8970	0	5288	7175	9068	4855	7436	4543	15970	8873	0	9487	5515	7966	11272	9928	10020	16084	7496	0	0	8228	10238	4448	9725	11629	9059	3409	12086	6622	9877	7165	0	7822	3225	Phytochemical	0.2413793	1.2758621	0.03448276
16	C22 H41 O12 N1	512.27014	512.2708	0.40741733	512.2704	1957	0	0	0	0	0	0	0	0	2050	5364	1158	0	1066	0	0	1800	0	0	0	0	0	0	0	0	0	4934	20332	0	0	0	0	0	0	0	2357	0	0	0	0	0	0	0	0	0	0	0	0	0	1039	0	0	0	0	0	0	0	0	0	1629	0	0	0	0	0	0	0	2291	0	0	0	0	0	1399	0	0	0	0	0	43045	1080	0	1372	0	0	0	2811	0	0	0	4891	0	0	0	1801	0	2045	2150	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.54545456	1.8636364	0.045454547
8	C22 H41 O12 N1	512.27014	512.2711	0.25418282	512.27026	2463	2410	2075	3170	8777	849	0	0	0	0	1860	0	4248	10668	0	0	0	0	0	0	0	0	0	0	0	0	0	14202	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2405	1274	0	0	1164	6607	0	0	0	0	0	0	0	0	849	999	0	0	0	0	0	0	0	0	0	0	0	0	60957	0	0	0	0	972	0	0	0	0	0	275479	113447	0	6717	0	0	1089	2804	0	0	0	0	0	0	0	0	7353	0	0	0	Lipid	0.54545456	1.8636364	0.045454547
14	C22 H41 O12 N1	512.27014	512.2711	0.22889048	512.27026	0	0	0	0	0	1422	0	0	0	3285	4236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2403	9374	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1903	0	0	0	0	0	0	2536	0	0	0	0	4771	0	1282	0	0	1637	0	0	0	0	0	0	1343	0	0	0	0	26801	0	0	0	0	0	0	0	0	0	0	10508	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.54545456	1.8636364	0.045454547
6	C23 H37 O8 N5	512.2715	512.2724	-0.010411507	512.2715	3426	3017	3002	2508	620	2222	0	0	0	0	2288	0	0	1958	0	0	0	0	0	0	0	0	0	900	544	0	0	20096	695	0	0	856	0	0	0	0	0	0	1060	0	0	0	0	0	0	0	0	0	0	0	2096	2436	0	0	0	568	3128	0	0	0	0	0	0	0	531	0	560	0	0	0	0	0	0	0	0	0	0	0	0	95012	0	0	0	0	0	0	0	0	0	0	292968	110017	0	12574	1947	0	2725	2850	0	0	0	0	0	0	0	1923	2164	0	0	0	Peptide	0.3478261	1.6086956	0.2173913
4	C23 H37 O8 N5	512.2715	512.2719	0.17930287	512.2716	0	726	695	0	0	1424	470	0	334	0	0	685	713	0	0	0	0	955	322	0	0	0	332	375	250	0	0	0	959	0	0	0	836	0	0	0	511	0	0	0	0	456	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	600	0	0	627	0	0	260	0	1382	0	0	0	0	0	433	0	353	0	0	0	0	0	35423	0	1933	0	0	0	0	405	0	0	0	50355	14078	0	1536	0	0	470	513	0	0	0	0	0	0	0	0	0	0	290	444	Peptide	0.3478261	1.6086956	0.2173913
18	C26 H41 O9 N1	512.2854	512.2861	-0.021115007	512.2854	28095	19095	21647	22870	13054	15600	23977	41823	14413	8145	14038	20591	26092	12936	36836	35605	32512	16150	34155	32504	23057	12883	25673	40046	28854	18358	20876	12119	48221	41057	28564	40592	37622	30306	15884	37892	31472	29554	35561	13619	8336	20218	575	0	0	25798	16657	0	32488	30811	23521	20387	19505	0	30432	22489	14317	33603	18770	19119	39498	10395	18702	28219	10744	17605	18675	38012	16498	21489	17404	27014	26614	46893	42307	41088	0	23080	28538	11304	24601	11598	21675	13467	34871	18232	25756	12487	20030	33176	24121	34624	49032	7726	19594	0	24235	22466	16580	17683	25481	44409	21635	35278	13254	27758	25961	0	27394	22091	Lipid	0.34615386	1.5769231	0.038461536
10	C30 H41 O6 N1	512.30066	512.3016	0.16239852	512.3007	1844	0	1152	1295	0	0	1113	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1277	3047	0	928	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3737	0	0	0	0	0	0	0	3487	0	0	171161	0	0	65030	0	0	0	1482	1623	0	0	0	0	0	0	0	1889	0	0	3657	0	Lipid	0.2	1.3666667	0.03333333
24	C30 H41 O6 N1	512.30066	512.3013	-0.002228694	512.30066	7012	6341	5828	9056	4975	1926	5858	8319	4744	4390	11853	9717	4616	3290	6897	21650	15185	0	7570	7011	8256	5129	7770	14361	10135	23722	4025	8847	7877	11023	9997	8992	12617	6364	1653	11988	13447	8762	15914	8486	11011	8939	0	0	0	4776	4347	0	12237	16905	5740	8783	4065	0	4508	0	3730	11331	7400	8807	11907	3737	1285	2894	3037	5936	7510	15605	12854	13257	15745	6243	7815	9233	9133	13049	0	9581	13333	7944	10719	3443	7383	7289	5011	3624	16922	8435	6566	17307	8750	12333	16870	6212	8004	0	8146	10360	3033	3759	5919	28357	9060	13966	4280	13082	5939	0	11367	2203	Lipid	0.2	1.3666667	0.03333333
28	C27 H45 O6 N1 S1	512.304	512.3045	0.13783634	512.3041	3299	2409	2839	2664	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7298	9429	8885	0	0	0	0	0	0	0	4410	0	3288	0	0	0	1133	1540	0	0	0	0	0	0	0	0	0	1352	0	3867	2136	0	0	0	0	0	2557	0	0	2508	0	0	0	0	0	0	1312	0	0	0	0	0	0	0	0	0	0	15407	2129	11704	0	0	0	0	0	16656	0	0	96259	3367	2024	11911	0	0	0	2603	2512	0	0	0	0	0	0	0	5433	0	0	0	0	Organosulfur	0.22222222	1.6666666	0.037037037
22	C27 H45 O8 N1	512.3218	512.3224	-0.054610107	512.3218	11885	9811	12613	9045	13394	10296	26647	18996	12279	4683	2751	5409	8588	9507	9902	17378	18318	13804	20835	7851	3477	3728	11460	12376	13337	4885	18813	8515	17486	27295	15795	19008	16900	10700	5500	24752	12846	12258	18552	1874	3915	9004	0	0	0	5556	4509	0	17046	26546	13112	8774	7714	0	17317	15802	7557	15156	7118	6309	21679	2574	12639	12491	5461	12363	9978	14431	1666	5516	5861	11534	11947	22132	18880	16663	0	9127	13236	2577	8466	4277	23377	10421	20728	11459	15095	5784	10740	13256	14986	6908	10809	0	4774	0	9285	13106	6330	12448	15411	24413	8044	14875	2555	9236	11028	0	12430	8235	Lipid	0.2962963	1.6666666	0.037037037
28	C31 H45 O5 N1	512.33704	512.33765	0.052250985	512.3371	0	1269	1108	912	0	0	0	33456	0	0	0	1955	0	0	0	2176	3028	0	0	0	0	0	0	0	0	0	0	0	8880	19722	19680	8644	3050	0	0	19798	1772	0	1148	0	0	0	0	0	0	0	0	0	7131	25275	0	0	0	0	0	0	0	4201	0	0	3271	0	0	0	0	0	0	1302	0	0	0	0	0	23913	0	12358	0	4802	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	918	0	0	1214	0	3894	1523	0	0	0	0	0	0	0	Lipid	0.16129032	1.451613	0.032258064
22	C24 H49 O10 N1	512.3429	512.34375	0.17575914	512.343	0	0	0	1493	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13617	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2419	0	0	2618	0	0	0	0	0	0	0	15809	50296	6825	0	13534	6738	19726	0	0	0	0	0	0	0	0	1267	0	0	0	0	0	5886	0	0	0	0	6349	0	0	0	0	0	0	0	0	0	0	0	0	0	4480	0	0	0	0	0	Lipid	0.41666666	2.0416667	0.041666668
10	C25 H45 O6 N5	512.34424	512.34454	0.077063374	512.3443	0	0	0	1248	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15189	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	106967	0	0	0	0	0	0	0	0	0	0	130458	35247	0	3180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.24	1.8	0.2
12	C25 H45 O6 N5	512.34424	512.3446	0.11811679	512.3443	0	0	1527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	172530	0	0	0	0	0	0	0	0	0	0	110542	34051	0	9191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.24	1.8	0.2
16	C28 H49 O7 N1	512.35815	512.35834	0.187102	512.3583	0	0	0	0	1260	0	1231	0	0	0	0	0	0	0	0	0	0	4089	0	0	0	0	0	0	0	0	4850	0	0	0	0	20595	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.75	0.035714287
26	C28 H49 O7 N1	512.35815	512.35834	0.09022327	512.3582	0	2021	0	0	0	0	31862	0	0	0	0	0	0	4649	0	0	0	0	0	0	0	0	0	0	0	0	29875	2353	0	0	3139	0	3629	0	0	0	3493	2603	5496	0	0	0	0	0	0	0	0	0	4721	0	0	1921	0	0	0	0	0	3489	0	0	0	0	0	0	2623	2177	4682	4918	0	0	0	0	4155	0	0	5213	0	0	0	0	0	0	7374	3763	0	0	2424	0	0	1746	3531	3995	0	0	0	0	2387	0	0	3374	6231	0	0	0	0	3813	0	0	0	0	Lipid	0.25	1.75	0.035714287
24	C27 H49 O6 N3	512.3694	512.36993	0.09929629	512.36945	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16249	0	0	0	0	0	0	0	53492	0	4641	0	0	0	0	0	0	6667	0	1533	0	1537	0	13701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2292	0	0	1504	2623	0	41445	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	711	0	0	0	0	0	4436	0	Lipid	0.22222222	1.8148148	0.11111111
26	C25 H53 O9 N1	512.37933	512.3803	0.14138901	512.3794	0	0	0	0	2932	0	0	0	0	1444	0	0	0	5151	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32949	0	0	6191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	82452	0	0	0	0	0	Lipid	0.36	2.12	0.04
22	C21 H20 O13 S1	513.06976	513.0705	0.2358924	513.0699	7617	11172	8304	8765	0	0	0	0	1838	0	0	0	0	0	0	0	0	0	2772	0	0	5285	27590	43389	0	0	0	0	0	0	0	0	0	0	1897	0	0	0	0	0	0	0	0	0	0	2775	2570	0	0	0	8660	7312	0	0	1963	2426	0	0	0	0	0	0	0	2647	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17591	0	7904	1566	0	0	0	0	39087	0	0	6047	635273	376737	5437	0	2284	0	7165	8541	0	1314	0	0	0	0	1500	12336	0	0	0	0	Organosulfur	0.61904764	0.95238096	0.0
12	C21 H20 O15	513.0875	513.08844	0.20262791	513.0876	3518	3481	5023	3455	13284	7316	0	0	13497	1634	2785	2755	23263	2551	0	0	2386	13247	16985	2175	2949	10173	2347	0	0	0	0	0	0	0	0	0	0	0	3151	0	0	1632	0	1936	0	4733	0	0	0	3119	13822	0	1170	0	2400	1810	7713	0	11761	17606	6053	0	0	0	0	0	41518	17502	6978	22131	3501	0	0	0	0	0	0	0	0	0	0	1375	3561	0	5342	10979	0	0	21527	4495	3308	4924	5900	0	0	0	2648	18398	3971	0	7113	2841	18119	31146	22451	1623	1467	0	0	0	13881	0	0	29487	Phytochemical	0.71428573	0.95238096	0.0
16	C21 H20 O15	513.0875	513.08844	0.28551325	513.08765	7234	5147	0	4185	18237	7173	0	0	24599	0	4594	3533	39739	6607	2663	0	0	19682	13696	2334	5371	18223	3720	0	0	0	0	0	0	0	0	0	3012	0	4559	0	2614	0	0	3527	4998	3606	0	0	0	6318	28813	0	0	0	5088	6401	7400	0	17448	20872	7772	0	0	1700	0	3990	45374	22747	4253	23305	11962	0	0	0	2225	0	1745	0	0	0	0	1459	6784	5372	5541	11852	1110	0	17041	4505	3188	6458	4759	0	0	0	0	16273	6075	0	6550	5032	16203	23481	20298	0	2018	0	14521	0	14105	0	0	42955	Phytochemical	0.71428573	0.95238096	0.0
14	C21 H20 O15	513.0875	513.08844	0.17344318	513.0876	7501	6212	4386	11030	19088	8557	0	1696	26304	2849	2593	1817	39924	3692	2059	0	0	19201	20460	2126	3597	16173	5693	0	0	0	0	0	0	0	0	0	2283	0	8285	0	0	2666	0	2552	5814	4264	0	0	0	6448	27904	0	0	0	5616	5743	10586	0	17330	26284	6892	2725	0	0	0	3251	44744	24952	6483	22439	9628	0	0	0	1366	1708	0	0	0	1065	0	4202	6551	0	4048	9484	0	0	24183	4065	6211	4292	6449	0	0	0	4064	22141	5794	0	6552	5787	19077	30854	27093	3586	1823	0	16061	2402	14383	0	0	45320	Phytochemical	0.71428573	0.95238096	0.0
10	C21 H20 O15	513.0875	513.0884	0.13296463	513.0876	5968	3374	0	3180	15705	3216	0	0	15674	0	0	0	30796	0	0	0	0	7556	10878	0	2852	8408	0	0	0	0	0	0	0	0	0	0	3298	0	5060	0	0	0	0	0	0	4628	0	0	0	0	9522	0	2428	0	3978	6266	3914	0	9426	19434	5770	0	0	0	0	0	31990	18456	5516	16180	0	0	0	0	0	0	0	0	2350	0	0	0	4032	0	4056	2852	0	0	24280	4810	3300	3938	3076	4004	0	0	0	11896	4480	0	3560	2750	13770	34958	26730	0	0	0	0	0	15838	0	0	27872	Phytochemical	0.71428573	0.95238096	0.0
26	C25 H20 O12	513.1027	513.10345	0.07316589	513.1028	9556	6124	8970	9161	15647	6243	1944	0	17559	23479	4066	0	26918	8968	0	0	0	18954	21562	12052	14536	23346	0	0	0	9270	0	2941	0	0	0	0	0	0	29372	0	0	3113	0	6127	7662	0	0	0	0	0	0	0	0	0	8010	7233	7273	0	16901	8780	4796	0	0	0	0	4187	31681	16494	3299	16597	5798	0	0	10555	11369	0	0	0	0	0	0	0	10711	10109	6512	9411	0	0	27603	8165	5465	3521	0	0	2390	3700	0	22316	29244	0	6796	5848	9581	18620	19357	0	0	0	7350	0	15198	0	0	26439	Phytochemical	0.48	0.8	0.0
16	C25 H20 O12	513.1027	513.1036	0.13015313	513.10284	22487	21366	13769	13399	25277	6969	4069	3394	33782	69210	34740	4441	41072	12954	4455	5689	3938	28888	24712	30318	36722	46631	9090	2336	2086	21742	2679	8994	2332	1577	2376	0	3158	0	93808	0	4879	4192	2770	20061	23893	4041	383	0	0	25282	33539	0	0	1647	14123	20842	16472	0	29340	26509	13068	7628	6434	0	0	9682	52957	21708	12861	30433	3813	3063	18707	23690	31371	0	0	0	0	0	0	0	17240	31831	12733	30593	2937	10601	37634	12993	15001	5082	7114	0	7510	7753	0	57302	61256	0	18741	14049	30776	37030	32401	5781	2686	2118	23501	0	25168	0	5435	41454	Phytochemical	0.48	0.8	0.0
24	C25 H20 O12	513.1027	513.1034	0.103188306	513.1028	9020	12271	16114	11387	20986	13852	2663	1559	22379	32323	10880	1380	38801	7534	3503	1685	0	32910	23172	16831	15501	31440	8184	2124	1456	8277	1810	5188	1307	0	1291	0	3730	0	45464	0	2184	5200	1597	8450	8628	3356	0	0	0	16523	15787	0	1876	1635	13324	12790	10792	0	25456	19544	8138	3465	2436	2571	2837	6996	44630	21978	4928	22005	4931	0	10954	11468	14006	0	0	0	0	0	0	1874	14008	13311	9948	16758	1142	6418	31598	11037	8729	5861	4727	0	4085	5373	3271	27722	42104	0	9966	10018	18423	25036	22924	2010	1648	2965	9769	1616	17852	0	2383	36690	Phytochemical	0.48	0.8	0.0
28	C25 H20 O12	513.1027	513.10333	0.022771113	513.1028	5389	3665	5003	5734	10062	5069	1915	0	13696	14876	3403	0	21833	4501	0	0	0	14534	12031	7699	10996	13926	3162	0	0	3722	0	0	0	0	1998	0	1638	0	23085	0	1109	2754	0	4656	4085	0	0	0	0	6529	5642	0	0	0	6231	6436	9797	0	12372	9652	3318	1889	2052	1635	0	2970	22457	8505	3700	13122	1739	0	3622	8813	8999	0	0	0	0	0	0	0	8180	9707	5246	4655	1266	2421	15458	8601	6212	1598	2279	0	3768	3147	0	15784	23137	0	7907	4744	10691	13105	13139	0	1201	2500	4114	0	9818	0	0	20639	Phytochemical	0.48	0.8	0.0
22	C25 H20 O12	513.1027	513.10345	0.120449305	513.10284	20010	16913	15642	19169	31675	17205	3135	3009	43975	58139	28611	2906	49980	13897	3854	2919	1867	40184	32001	26779	37185	52080	10498	3274	4481	15060	2505	10307	2278	0	1992	0	5754	0	80228	0	6750	5250	1764	15821	13051	5497	0	0	0	22695	32150	0	0	2023	17374	16703	17510	0	39984	34158	14091	5301	4960	3323	3206	15813	55990	35638	11626	37546	11584	0	13153	22447	21868	1190	0	0	0	0	0	4204	20884	34306	14597	26064	4770	8838	44065	23524	15579	6644	6742	5939	8224	6974	3065	48785	58738	0	16887	13851	34337	38232	29632	2497	1963	3308	21182	4116	24318	0	3306	58262	Phytochemical	0.48	0.8	0.0
14	C25 H20 O12	513.1027	513.10364	0.23226896	513.10284	7491	8889	10197	10847	14308	5670	0	0	14074	55892	19555	1073	22173	9019	0	0	0	10874	8883	21870	21722	26523	4917	0	0	12831	1939	10969	0	0	1399	0	2416	0	59128	0	2767	2762	0	7029	14575	3064	0	0	0	7499	26497	0	0	0	9528	7690	8349	0	12773	12053	5247	2592	0	0	0	8763	25672	12782	5613	14036	4337	1620	17748	12427	23343	0	0	0	2300	0	0	1069	11787	20364	7905	13456	1414	9036	16172	4545	7550	3296	2642	0	0	0	2793	29398	24070	0	7594	6029	19749	25460	17964	0	1822	0	0	0	13787	0	1941	17966	Phytochemical	0.48	0.8	0.0
18	C25 H20 O12	513.1027	513.10345	0.089254186	513.1028	30935	29085	20591	26535	41790	14264	4325	3314	45838	93525	45824	4806	62904	18149	5432	4900	0	45502	40877	60610	50554	70125	11912	5097	5156	35474	3588	16243	0	0	2033	0	5026	0	123193	4004	6145	8084	3206	28269	26694	4926	759	0	0	43912	45027	0	4529	3079	25282	23755	23626	0	49141	38855	13963	10150	7391	5025	6196	25170	69570	36550	13223	50380	13363	2686	24253	27100	41547	0	1311	0	0	0	0	5614	27653	45326	19194	41797	4957	18322	50770	20329	17515	9285	9764	3705	6192	11509	6420	69747	98298	0	28679	19642	36707	40410	46320	5174	3794	3907	27939	5614	37015	0	4555	62396	Phytochemical	0.48	0.8	0.0
20	C25 H20 O12	513.1027	513.10345	0.087941535	513.1028	33098	21989	28685	20169	36430	22494	4187	4332	41873	93621	42568	3446	66366	21148	6329	5641	3424	47083	41706	43514	55259	70440	13303	6027	6747	21653	5523	15529	2234	0	0	2556	10312	3840	105899	2221	9873	8797	2244	26504	19636	8112	0	0	0	39012	37119	0	3177	0	25344	26705	22019	0	48231	34532	18304	4997	8866	3427	6258	18027	89522	39399	15195	50544	13650	1447	22007	35124	29861	2749	0	0	0	0	0	4601	28345	53258	18975	34182	4345	17302	47590	30073	20425	7849	16955	3857	8979	19472	6568	74186	84809	0	24167	25534	35170	49047	47307	4884	3308	7250	36241	6454	36848	0	7378	79525	Phytochemical	0.48	0.8	0.0
12	C22 H24 O14	513.1239	513.12476	0.18749164	513.12396	33724	40158	31366	31942	31285	17406	13509	16799	51213	41842	37610	20584	62994	12505	18933	14150	11198	44849	45278	33869	40202	82830	27894	20143	5829	2704	14562	0	14555	11045	12190	12000	19888	13234	59693	9158	18779	17364	14906	24126	38735	15317	0	0	0	71182	133859	0	16156	13216	34258	27057	26683	0	48759	35414	18188	19403	16890	12875	0	26897	90520	45562	19633	48954	18372	16126	0	8429	11959	13921	10835	11771	14010	12437	0	18099	24710	31072	19516	55916	6496	7301	34999	19819	22992	17584	21623	25561	0	21217	20718	83912	57137	0	40747	30981	51958	41805	39813	23220	16137	13738	92782	21643	39329	0	7674	67410	Phytochemical	0.6363636	1.0909091	0.0
10	C22 H24 O14	513.1239	513.1248	0.27854553	513.124	17427	16400	11812	11486	14593	8692	2822	8886	22012	26801	15991	7712	37354	6027	6154	7764	7170	21501	23246	15581	16554	34957	12305	10426	0	0	3397	2907	4328	4203	6955	4752	9461	5219	37186	4825	6701	11789	9999	10137	24612	5785	0	0	0	25038	49523	0	7096	3593	13441	14598	12739	0	22187	20081	8603	7255	5925	11412	0	12024	44866	18778	9148	22354	8080	9634	0	4091	7534	4505	4902	4991	7848	4625	0	9466	14964	17241	14781	24427	3111	3175	29149	10800	14560	10429	7457	9050	5122	9826	13484	36011	33252	0	17823	13468	19723	31846	23469	6052	7417	9044	42420	10360	19079	0	3965	44537	Phytochemical	0.6363636	1.0909091	0.0
22	C22 H24 O14	513.1239	513.1246	0.32169485	513.124	7616	5883	5623	0	2772	6178	2049	0	3719	0	0	2919	7530	0	3855	0	0	7029	8324	8708	8379	14370	3047	2484	2460	0	1826	0	1452	0	0	0	2260	1998	9989	1312	3296	2313	1845	6932	0	2545	0	0	0	29123	33088	0	1727	2194	4527	7062	4453	0	8371	3148	2269	1755	3960	0	2733	0	5876	5781	2290	5903	3991	0	3493	0	0	3741	1117	2080	1534	0	0	0	2364	0	3488	35037	0	0	5078	2878	1892	2200	4824	2227	3063	6241	3694	13736	8875	0	5963	4310	4655	2745	0	0	2298	1974	27172	0	3996	0	1984	9241	Phytochemical	0.6363636	1.0909091	0.0
8	C22 H24 O14	513.1239	513.12494	0.36461	513.1241	7718	11182	5902	8944	15824	4442	2312	3836	17164	14876	10828	5860	25060	2796	5188	0	3366	12828	12804	10734	7670	18636	6348	6536	0	0	3374	0	1844	3574	1788	3010	2444	0	20970	3478	3686	3144	5812	11104	10988	4650	0	0	0	5832	30508	0	5102	4282	7138	6686	9268	0	16002	18018	6528	0	1884	8180	0	0	29958	15696	8510	15762	7196	4558	0	0	7614	3544	3120	2574	8941	2768	0	3130	17100	6254	6012	10578	2116	1648	24848	0	7276	7736	4748	9302	0	0	5742	18438	15918	0	8162	6212	14628	27040	21018	8698	2710	0	13380	4616	13502	0	2972	28396	Phytochemical	0.6363636	1.0909091	0.0
10	C21 H24 O13 N2	513.13513	513.13605	0.2466585	513.13525	15496	13169	12894	13171	7609	5003	3535	10093	14556	8131	10054	11541	15053	2092	7783	8397	12126	17278	14427	11952	16593	25887	13407	7827	2686	0	2921	0	6335	7398	5960	8463	11609	8569	13311	5657	8961	8450	13225	10698	25000	8881	0	0	0	16833	32218	0	9315	8836	9399	11774	7483	0	15057	10259	8131	6810	5799	12006	8695	13901	22993	18971	6233	10839	8307	13445	0	1763	1788	7360	8993	9649	8802	5804	0	8291	6976	8558	6220	16005	3162	3335	15172	4373	8570	6921	7879	13382	4207	5431	17643	19807	12451	0	11591	11893	7579	12645	8031	15812	10217	8989	24780	11316	9693	0	3322	21830	Phytochemical	0.61904764	1.1428572	0.0952381
16	C21 H24 O13 N2	513.13513	513.13605	0.36992404	513.1353	2842	4604	7316	9720	7691	5785	2587	4406	9837	5443	3678	6599	14210	3060	5411	8300	6047	9707	8093	5250	8032	10986	9174	6080	1934	0	2289	0	5014	4436	5144	4682	6306	6793	6358	4360	5795	5578	6719	7824	8918	5025	0	0	0	17343	23666	0	6464	2923	7870	8124	5033	0	13509	3390	3887	3672	6232	3847	0	7031	10937	8856	3340	8163	5036	2423	0	0	3040	6676	5360	5100	5526	6129	0	4659	5283	7578	3885	15914	3061	2465	5287	5365	5600	4599	6962	0	4785	3120	0	7049	7125	0	6156	6179	4503	3663	5381	8122	5015	3008	18939	0	7099	0	2208	12150	Phytochemical	0.61904764	1.1428572	0.0952381
14	C21 H24 O13 N2	513.13513	513.136	0.2612097	513.13525	16772	9033	11195	11453	7692	7270	5077	11819	14963	9215	4791	8738	22558	3430	10977	7783	11728	15538	13196	8500	16107	27936	13158	13254	4609	0	1811	0	6978	10122	7521	7546	13518	5405	15816	8518	12515	9814	8522	10988	17634	9951	0	0	0	25628	49755	0	7888	7795	8784	12951	11344	0	24783	10267	7656	3638	8696	6619	0	14396	22845	18686	6377	13439	10143	9987	0	4403	4073	6291	12453	8111	10307	5838	0	9210	11218	0	8083	25386	4181	3123	15493	6254	9277	7649	11018	12714	4201	8870	20799	22790	10403	0	16476	14638	9527	7501	10271	11851	12184	10869	53942	13885	7697	0	5437	23254	Phytochemical	0.61904764	1.1428572	0.0952381
12	C21 H24 O13 N2	513.13513	513.1359	0.24880281	513.13525	12288	11054	12896	16960	10590	6279	6695	13017	16674	9967	8831	12330	23468	2453	9966	9401	18150	20010	21266	15457	17789	29614	17887	10948	4550	0	4587	0	8224	9586	11026	10290	15119	9501	16489	8565	13068	10353	12740	18389	27545	10325	0	0	0	30837	53413	0	12623	9959	17117	13073	11454	0	26464	11602	8135	11763	12574	15617	0	16202	34397	23825	6654	17046	11446	12229	0	2955	2889	10830	8600	6939	8407	8265	0	10563	10982	0	7191	23004	5492	4557	11683	5842	10189	11980	8962	19906	4706	9547	19396	24268	8928	0	15720	11307	13704	12405	9359	11519	11348	9918	29756	14209	9764	0	4559	34674	Phytochemical	0.61904764	1.1428572	0.0952381
8	C21 H24 O13 N2	513.13513	513.13617	0.25188193	513.13525	6470	6757	4966	5829	2944	1851	2363	5550	9415	4784	3840	4702	12866	1411	2656	4058	5154	7603	7833	4545	8818	14016	7511	5248	966	0	4029	0	3627	4265	2254	1312	5059	3750	7058	3199	4592	3551	6632	4118	11870	4874	0	0	0	8291	25479	0	4358	4516	7106	6259	5000	0	9611	8166	4771	2984	1833	8332	4428	3546	17465	8781	2364	7389	6229	8411	0	0	2914	4206	3295	2755	5707	3364	0	2160	4505	3246	3715	5740	1514	1216	9650	0	3285	6626	4411	7032	0	0	6110	9433	7379	0	7547	5659	4445	9196	7871	5290	3181	3231	7035	6014	5671	0	1626	13360	Phytochemical	0.61904764	1.1428572	0.0952381
14	C26 H24 O11	513.13916	513.13995	0.089755006	513.13916	16096	19389	11712	19552	16139	7337	6788	7159	19065	65317	45620	7077	14872	11468	4061	7817	4536	11570	16450	38369	29247	29205	8354	7862	5053	29964	8937	28301	4715	4248	5594	0	5634	5444	85324	4465	4304	4577	6572	21549	30293	5391	0	0	0	21737	44040	0	5766	0	14626	17359	12985	0	15267	12099	7793	7835	8886	11810	0	16517	22857	12902	6965	15490	7296	4042	38571	42562	53797	4302	3079	4107	2573	8667	0	4948	13604	0	10492	24841	6388	17821	16962	10255	14984	6718	6978	8809	2958	9796	4368	22498	29202	0	16038	9888	16967	14368	16548	10086	3652	6710	30571	9697	12137	0	6678	21403	Phytochemical	0.42307693	0.9230769	0.0
24	C26 H24 O11	513.13916	513.1398	0.073818	513.13916	19539	20428	14677	20679	24207	17241	3416	2559	39518	73148	28168	2795	54032	11914	7523	3467	2529	30552	29241	40847	39529	40222	10706	5090	3306	42513	2848	17484	1420	0	2245	2513	3580	2001	82213	0	4800	5829	1957	24403	21050	5021	0	0	0	31347	32141	0	3329	0	18755	16489	16550	0	35987	26848	9267	4779	5315	2944	6652	16744	46880	27715	10798	35276	9047	2530	34166	66545	61931	1568	0	0	0	2891	0	2533	22056	22539	12764	20819	4664	15500	37433	16463	14011	6202	6691	2828	3519	8752	3451	30787	53087	0	19409	16325	25305	28478	35112	4141	1664	7682	22977	3888	26620	0	4214	45215	Phytochemical	0.42307693	0.9230769	0.0
26	C26 H24 O11	513.13916	513.1398	0.021864993	513.13916	6969	11207	10988	9429	15466	9322	0	0	16940	37141	16167	0	33283	10285	0	0	0	23662	18163	17909	23602	23634	5520	0	0	17910	1989	7638	0	0	0	0	2586	0	44890	0	0	3022	0	14262	13939	0	0	0	0	13782	18273	0	0	0	11638	8569	8269	0	21380	20417	5631	0	0	0	0	6602	33795	21784	7628	19377	4101	0	19438	38798	34056	0	0	0	0	0	0	0	12356	15101	9190	9518	0	8604	22394	11818	7423	4285	2297	2026	4236	3257	0	21793	33876	0	10574	8068	13829	20762	16992	0	0	0	8661	0	11966	0	0	30523	Phytochemical	0.42307693	0.9230769	0.0
12	C26 H24 O11	513.13916	513.1401	0.11111797	513.1392	4715	7759	6242	6131	4228	1886	0	1218	6001	21412	15814	0	5165	3764	2246	4034	3131	3953	4107	11581	10680	9127	4022	3988	0	12636	3250	0	1485	1795	0	0	3668	1857	27618	2225	2228	2761	2972	6777	9251	1721	0	0	0	6015	14978	0	2660	1430	10499	5908	1729	0	6185	3116	0	0	0	0	0	4974	6510	4264	1666	5181	3101	0	0	13771	23069	2622	2454	1618	2728	1162	0	0	4821	0	3157	8096	0	5407	6236	1687	3261	1932	3010	0	0	0	4867	6423	12244	0	7750	5926	5926	6085	5769	6054	1971	0	0	3020	5864	0	2111	4591	Phytochemical	0.42307693	0.9230769	0.0
18	C26 H24 O11	513.13916	513.1399	0.07059181	513.13916	62128	58633	48899	47256	60361	34125	16710	15431	72684	217557	115924	14110	82782	37307	19907	12672	6825	60335	70937	122980	128401	94625	23363	13618	16702	113351	13335	74450	12741	6793	13681	9792	22262	6532	246149	8937	23891	20535	10352	74674	62950	15195	1273	0	0	78049	76178	0	15177	12205	46415	49783	34719	0	71040	50988	23724	22004	15277	13290	17891	51521	87827	51701	26008	74102	27718	10708	81372	150267	142417	10597	8593	4901	6538	9188	0	10655	37363	65098	35500	73843	18396	50590	80783	36355	36811	15461	15543	12834	49034	35869	22597	85685	111179	0	57415	46630	61374	54945	62661	15830	11751	20930	54423	15680	56709	0	18655	74846	Phytochemical	0.42307693	0.9230769	0.0
16	C26 H24 O11	513.13916	513.1399	0.09968329	513.13916	37423	30943	26828	29271	41175	18647	12808	9987	41156	156449	73767	7491	47295	19986	13538	14360	7468	41082	49432	78389	78312	51524	17395	16386	10003	76928	10476	43464	7321	9077	7180	8710	12200	10403	158605	3955	8924	12798	6515	46883	43786	8046	681	0	0	44145	54985	0	9830	8144	29933	33219	21981	0	41865	31924	14899	13049	10718	10586	11432	30251	50737	33128	14135	38403	23775	9434	73826	84455	94150	6736	10798	5726	4759	6838	0	8834	29109	46052	25396	50869	9832	36859	35946	19510	29115	14793	11764	0	18438	17101	0	58303	69336	0	36066	29675	43113	38950	40216	12126	5829	14933	34112	0	37481	0	13384	53566	Phytochemical	0.42307693	0.9230769	0.0
20	C26 H24 O11	513.13916	513.13983	0.06188388	513.13916	53385	54443	60126	42769	71982	44878	12643	16142	77930	214198	103463	11118	100220	42847	16975	19222	7018	75642	69709	125131	119902	95945	29494	19363	18888	110694	14297	83047	11726	5838	11180	12751	19423	8245	272736	7662	15745	17494	6316	80852	45226	20467	1506	0	0	77489	81834	602	12776	9495	55919	53465	47116	0	77801	62791	29130	22624	18131	9812	11665	55155	114188	69749	26517	74467	30780	10033	94298	155615	148446	12088	7399	4945	7764	10191	0	15142	50735	69796	34308	64208	20282	82099	77356	37922	31230	25849	25887	14689	27801	41568	19710	95064	105890	0	54265	48434	70338	70228	67887	12542	10276	21075	68424	16402	61363	601	16705	97946	Phytochemical	0.42307693	0.9230769	0.0
28	C26 H24 O11	513.13916	513.1398	0.09722839	513.13916	7387	6962	5764	6573	10814	5544	1509	0	11389	19209	4647	1208	16908	4476	2454	0	0	15729	8200	12786	12875	12893	4016	0	3689	10331	1310	5818	0	0	1869	1254	1902	0	23867	0	1267	2385	0	5443	4555	0	0	0	0	6755	10044	0	1032	0	6974	5072	6271	0	11803	8312	3200	1960	1703	0	0	5167	16528	8847	2767	10713	3212	1139	9816	22786	19327	0	0	0	0	1444	0	1593	6629	8709	5411	5374	1947	5095	12426	6927	6169	2596	2830	2272	3134	4747	2671	10982	14239	0	6570	5463	8794	12313	12122	2833	0	2468	3715	2178	9028	0	0	15450	Phytochemical	0.42307693	0.9230769	0.0
10	C25 H24 O10 N2	513.1504	513.1511	0.13017018	513.15045	4546	5760	4448	3095	3296	1976	1683	1794	4374	17960	9569	0	5506	1612	1205	0	1592	4388	5110	10861	14819	12469	883	3548	1302	9543	0	5218	1477	0	2134	0	1233	1455	26598	1299	1354	1801	2704	12581	14068	1677	0	0	0	7603	14754	0	1207	997	4735	3025	2105	0	4924	2638	1980	3010	0	2715	0	6105	6565	4009	1818	4314	1979	1627	8634	18782	15777	1322	0	0	1162	1437	0	1464	4375	8031	2719	7128	1912	5555	4842	1105	2642	1373	1937	4435	5743	2712	4681	13151	15215	0	4156	3850	3589	3689	3153	1874	1048	3281	0	2055	3285	0	3376	5910	Phytochemical	0.4	0.96	0.08
20	C22 H28 O10 N2 S1	513.15375	513.1543	0.48724848	513.154	14218	6893	9430	8851	9393	9211	3986	0	11795	26884	13860	2245	12797	7274	3160	3842	4032	9980	6902	16567	21190	24280	8209	5204	7546	12903	2274	7423	6223	2928	2157	7531	9856	3684	42876	2231	8975	5148	6462	30375	17337	5634	650	0	0	20829	17080	0	7536	2858	9885	8549	5679	0	9550	7418	1809	7307	4738	3081	5758	22368	14568	9594	6772	9627	4475	3021	10566	25994	22626	0	3301	3638	3611	2572	0	2452	5922	14955	6793	16792	5079	9534	8551	3960	8620	2401	6222	5815	12307	15751	7833	12314	23437	0	6151	9298	6032	6450	9448	4939	2160	3199	17295	3453	9252	0	6141	13148	Organosulfur	0.45454547	1.2727273	0.09090909
18	C23 H28 O13	513.1603	513.161	0.119469665	513.16034	156445	175477	159106	174763	125460	117231	65814	112658	167214	425003	151738	64094	230454	72547	106096	95706	48461	198874	180729	317998	294419	305733	114325	115149	91907	88111	67179	125388	73470	63812	90595	101108	122289	108220	463415	72104	133142	104596	53673	305814	197228	67339	3281	0	0	393253	266716	0	122106	86549	149776	183117	119270	0	289499	112833	78102	107268	139206	56386	92930	213795	243198	144138	52992	148780	115863	75213	132942	199910	184549	115450	91171	93114	47820	72314	0	86246	130190	145380	84800	263511	80228	173814	128178	79865	120461	77253	98046	102296	136735	217426	176374	199359	295826	0	163414	143127	110800	102315	86743	129651	57278	132406	215763	95406	90290	0	75457	207115	Phytochemical	0.5652174	1.2173913	0.0
18	C22 H28 O12 N2	513.1715	513.1724	0.37425345	513.1717	10181	14489	9367	9665	4121	8492	5631	16919	5654	13139	0	5642	12747	0	13156	7873	4313	10688	10889	13968	10486	17222	11543	14204	8767	2309	7728	0	16976	10295	10260	6643	15911	10222	11473	8447	18163	11764	5764	13579	3805	4591	0	0	0	20995	12250	0	16429	12120	6471	6599	8832	0	12215	5945	4634	6357	16049	4520	10339	8078	9270	6109	3829	7882	8558	6121	3053	0	2838	16421	10626	15397	5855	17406	0	10078	8232	4955	7471	11237	6152	4765	5544	5870	7161	6321	5861	0	8384	15097	24825	10313	10709	0	10479	9368	3356	7139	2634	10644	7787	12179	8725	11311	0	0	11137	14310	Phytochemical	0.54545456	1.2727273	0.09090909
14	C22 H28 O12 N2	513.1715	513.1723	0.090478264	513.1716	38858	29660	35565	35861	18187	17513	22759	53624	29233	41357	10018	24821	37718	8112	48004	38493	17323	35297	41809	49188	32312	79656	33172	52198	36338	2442	19823	0	44675	39921	42291	39463	54712	36709	59239	38929	54668	38060	23230	40397	28436	19611	0	0	0	60205	38313	0	39005	44064	33673	37080	24009	0	46761	15347	16770	45821	85501	18615	44983	38001	43224	40006	11418	25730	27877	25718	0	12093	9438	41303	32040	40702	25694	0	0	36465	26664	23584	25342	33773	21823	17111	18859	21096	26850	18766	26073	30740	36367	52117	72781	22944	26778	0	32594	45344	16214	13380	16392	54547	28907	55738	62159	41529	14222	0	20651	38347	Phytochemical	0.54545456	1.2727273	0.09090909
8	C22 H28 O12 N2	513.1715	513.1724	0.101516955	513.1716	20967	16664	14458	16087	7562	8064	9549	21345	11045	18689	10839	12782	20818	2410	10671	17112	14788	12617	14048	13597	17041	32991	12784	18417	6386	770	8112	2551	14190	13916	13977	18174	16822	14401	17896	12096	19009	11321	18009	15412	18934	9706	0	0	0	20777	25738	0	17856	17657	20582	17354	10654	0	18896	11182	7953	17641	17670	18924	22383	11663	19474	15075	5746	11421	12705	18063	0	3315	6325	20224	14851	15773	12832	11040	0	10502	15451	8377	10404	10162	9185	3791	13555	6857	12725	8752	11097	21399	0	15013	25763	13978	16650	0	16433	15540	7862	12702	10798	20971	11357	21781	10086	19797	8917	0	8941	16911	Phytochemical	0.54545456	1.2727273	0.09090909
12	C22 H28 O12 N2	513.1715	513.1723	0.072184674	513.1715	41126	44236	42768	40936	15523	19301	37983	65246	24508	39025	17523	27798	37062	7501	42820	40209	28926	39703	42273	48528	45140	65950	39553	50407	28090	0	25921	0	38932	34778	44798	35753	57071	41185	65875	39414	55430	33769	34999	55485	26310	21827	0	0	0	65265	50576	0	43618	38047	41798	37095	20391	0	50012	14333	18115	48349	81510	29576	32142	40448	39382	34890	14664	32630	26837	34282	0	16235	6013	46764	43153	37889	21791	32486	0	37156	31584	20143	30088	32678	27749	15810	20875	18086	31776	22138	23244	50259	21779	46371	85381	30725	29849	0	37062	37702	18730	16355	20465	48355	30576	44159	40940	48472	15612	0	26633	48236	Phytochemical	0.54545456	1.2727273	0.09090909
6	C22 H28 O12 N2	513.1715	513.17255	0.18273489	513.1716	19500	26782	22097	22573	13144	5328	8884	20444	19927	21180	12516	17766	29391	5342	14158	21374	21112	26561	25211	18572	13041	37714	16068	28540	7622	0	11046	0	11678	18402	14194	14514	27270	14610	33952	18798	21489	11230	27094	16112	12466	11998	0	0	0	16184	33072	0	20338	13253	19342	20464	13848	0	19778	18141	9811	22562	11778	16926	22550	4596	35088	24161	8656	18085	18882	33734	0	0	0	16842	19098	15874	12695	15148	0	12165	11263	0	17204	13676	6890	7136	20746	9712	10020	17388	13326	35255	0	21721	40133	23544	20094	0	23622	18532	11690	24966	14912	26975	7644	22860	0	17283	17358	0	11476	31558	Phytochemical	0.54545456	1.2727273	0.09090909
10	C22 H28 O12 N2	513.1715	513.1723	0.06716281	513.1715	26822	30290	28032	27807	15786	16322	15278	38137	21488	26719	16183	19867	29092	3168	24605	26655	21763	26034	28480	33212	25913	56862	25599	30139	16655	2755	18868	6353	31755	25811	32197	34354	44072	25513	43435	34937	41848	22222	29329	26613	27849	16633	0	0	0	36186	36245	0	39699	28830	34228	26177	14562	0	35794	11252	12689	31644	30138	24599	39851	18993	30341	27795	15212	21301	21298	28805	0	5606	5949	32401	26774	32712	19811	28928	0	22736	24480	13964	20926	21775	21108	11752	18131	13913	18886	18054	20203	36960	23590	30419	58780	26740	30915	0	33546	35592	11883	15789	14654	36745	23791	36364	27418	35978	14158	0	16516	33494	Phytochemical	0.54545456	1.2727273	0.09090909
0	C25 H29 O10 Na1	513.1731	513.1745	0.41328928	513.17334	0	0	0	0	0	0	9410	0	0	0	0	5947	0	0	4717	0	30448	0	0	0	0	0	2643	1925	0	0	0	0	692	2297	0	0	659	0	0	0	0	3471	32788	0	0	0	0	0	0	0	0	0	0	0	0	0	1108	0	0	0	0	3043	0	0	3360	0	0	0	1720	0	0	13460	0	0	0	0	0	0	0	0	0	1113	1164	0	1399	0	0	0	0	2412	0	0	0	0	0	0	4821	0	0	0	0	0	0	0	0	0	6735	0	0	2367	0	0	7746	0	Phytochemical	0.4	1.16	0.0
18	C27 H28 O10	513.17554	513.1762	0.05105278	513.17554	100345	94525	88002	88130	83241	49758	35668	51145	83998	243187	154295	34140	99630	51577	44534	63753	36978	77573	104051	212447	174849	113528	56718	58254	40200	241916	40892	115935	49971	33911	47787	48457	58802	49104	285500	44264	58734	38511	44529	122753	113225	39641	1562	0	0	102859	100640	0	52863	44494	97906	89326	63558	0	91942	81407	47823	61305	51665	42945	53154	93530	123778	76298	37544	84968	56488	43572	181457	286058	310929	47106	37219	40484	42760	54413	0	33864	92016	69986	74701	87718	42917	99378	93697	55834	73877	41674	40317	56838	61242	60754	73372	78167	114219	419	87608	77760	86411	88285	78557	55646	32976	61784	64748	46162	70057	0	49357	102846	Phytochemical	0.37037036	1.037037	0.0
20	C27 H28 O10	513.17554	513.1762	0.045903575	513.17554	115438	121486	103665	98810	133680	73338	35927	59308	144463	333733	201597	35531	147300	82490	64752	67999	38708	111805	135679	254589	251255	130518	60072	68744	49188	298051	35596	171548	46233	40408	36069	40370	58223	46249	406426	51109	68973	44905	32045	166613	133187	35898	2173	0	296	146181	134906	562	45751	47031	112069	121299	75333	0	133239	115545	56499	65742	55110	35412	56008	106189	167893	103891	53396	126679	65503	42119	249706	404223	373028	46828	43586	38380	33290	39573	0	51948	102084	93905	79312	90359	45838	141668	124124	73907	85007	54418	53496	50844	73639	75980	85724	109256	140810	0	109949	107884	116208	118671	118153	51242	34536	65269	101684	50112	95409	0	49554	164168	Phytochemical	0.37037036	1.037037	0.0
24	C27 H28 O10	513.17554	513.1762	0.04945935	513.17554	49250	42534	47681	46946	53509	35048	7837	20046	65573	125552	74022	11434	92480	32401	22032	19443	6765	65083	60036	101814	88960	53254	24158	16614	13784	127082	12102	62570	12379	9414	9105	11797	20025	11770	163493	8957	14877	15088	12175	64641	59115	17010	0	0	0	55766	49259	0	17014	10547	45185	39584	40349	0	54645	63147	24880	17842	17961	9403	19431	55310	80967	47596	22369	64463	23030	11588	110219	173374	166166	16140	10647	5328	7498	11031	0	14162	46087	35412	31479	40103	13995	52887	69607	33438	38593	19377	22652	17628	21012	20282	25461	49887	57174	0	44211	38421	44757	60152	58027	19230	10545	19596	38919	17555	49290	0	16538	86666	Phytochemical	0.37037036	1.037037	0.0
22	C27 H28 O10	513.17554	513.1762	0.022619495	513.17554	87526	89093	80340	88357	110554	61065	24628	38885	122787	259114	156392	33386	128255	70447	37632	33952	21424	120905	95894	222156	200689	99054	53535	40473	43291	251306	23155	123824	30247	22723	31805	28160	46145	27810	331728	26576	46001	34015	23285	123600	100232	39083	0	0	0	103267	96797	0	34221	29810	84751	83300	67941	320	114412	96651	56501	45900	43436	24406	46590	97305	134139	83674	44607	111946	56113	25995	212600	351688	310720	37499	22783	19460	12651	24107	0	31459	66954	61145	61441	77422	39898	97767	122824	68584	65236	36386	40661	33887	55163	59254	54994	89959	136369	0	87254	85826	101631	104214	91638	39658	24299	44388	77976	38037	90681	0	37735	146188	Phytochemical	0.37037036	1.037037	0.0
26	C27 H28 O10	513.17554	513.17615	0.016651712	513.17554	19689	23608	19697	19685	31383	17027	0	6220	35623	60748	31206	4431	45742	14601	10957	9036	0	30993	29292	44804	53246	24084	10788	10193	0	53538	2711	22836	6512	0	4673	5393	5538	4284	67821	0	7403	7402	6537	28943	25420	8023	0	0	0	19479	24910	0	6657	0	18316	19391	15809	0	30204	31110	8832	8654	6773	0	6495	21275	48215	21064	8746	28765	11614	4549	64072	84012	90052	4561	0	0	0	4981	0	4840	19591	16302	21282	15066	5243	21274	35524	20763	16275	10313	11699	5537	7157	9324	9654	24955	37902	0	19548	20892	22520	34028	30661	11295	5648	6989	17541	9073	20843	0	4678	46266	Phytochemical	0.37037036	1.037037	0.0
14	C27 H28 O10	513.17554	513.17633	0.08143908	513.17554	23834	24010	21381	23140	12036	9613	16013	10926	14587	55537	33611	11486	10124	6948	13111	24980	11647	13379	11227	32648	29755	29385	9886	11170	10821	37567	8537	25673	10575	13438	10773	17473	13187	9308	44280	10811	11547	17392	12973	22434	34302	4870	0	0	0	19625	25915	0	15585	14195	16643	20563	10226	0	11808	12296	9081	18416	11148	15977	23338	17888	19122	15296	4654	12426	8362	14874	40778	41917	55190	12227	11613	9897	12013	13770	0	10110	21086	0	18085	18187	12387	19216	15015	8676	16591	6498	8176	24136	5579	9544	12636	19049	17789	0	17731	16293	14542	14152	12776	10785	8482	16332	23194	9091	9892	0	10507	13840	Phytochemical	0.37037036	1.037037	0.0
28	C27 H28 O10	513.17554	513.17615	0.100783214	513.1756	9743	7924	9446	7700	15257	5316	3085	0	13815	25325	11682	1950	22985	7837	5265	4583	0	13853	13753	19761	20531	8965	4292	4832	3597	22610	1518	11266	2913	0	2547	1592	5164	2072	29456	0	3888	4011	2260	10429	11224	2995	0	0	0	8523	9127	0	3492	0	10459	9665	8083	0	13451	15238	3754	4195	1332	2171	4802	8963	18249	10556	4341	17182	6483	1656	26911	41087	48216	3147	0	0	0	1538	0	2735	7288	9011	7337	4531	2912	8706	19210	6163	9100	4062	4961	1683	3736	6084	3636	11361	15046	0	8083	10677	10142	18985	18467	4355	1839	4350	5718	2134	8725	0	2485	17779	Phytochemical	0.37037036	1.037037	0.0
10	C21 H28 O11 N4	513.18274	513.18365	0.18815064	513.1828	9091	13570	7903	4892	4291	2973	5560	27649	6673	23604	4117	6139	14419	1375	7992	11181	7529	6399	6576	10342	19770	24474	10576	11089	6883	3476	3700	3278	7815	7249	8096	5780	9754	10576	9760	9002	19156	4878	10214	6039	8027	4325	0	0	0	11587	26540	0	7575	13334	7655	6750	4427	0	5996	1658	3751	11291	8128	3981	0	13564	7376	3423	3295	4115	4079	12859	0	5291	4652	15593	5883	11247	7231	9072	0	6902	6240	6268	7369	4361	4960	5745	2729	1869	8977	2883	6271	9776	4094	5309	14708	3996	7779	0	7139	14612	3180	3097	3139	9281	3590	7498	14054	8489	4072	0	6137	7007	Peptide	0.52380955	1.3333334	0.1904762
16	C24 H32 O12	513.19666	513.1974	0.04493047	513.19666	108417	114708	111390	110317	55982	58258	76108	136573	78401	219037	90962	64952	95003	28286	212744	101396	55090	99359	105849	168389	147058	136332	94515	114284	199436	56926	53751	73232	114810	107496	231682	114474	125432	82383	530556	126235	247708	178742	60009	135731	66002	44205	1747	0	0	292984	88185	0	127381	213362	99501	100670	58415	285	116407	52778	45359	110936	272052	51544	107526	83112	91612	83658	33361	69066	66052	60307	50363	110009	63269	232738	236154	126586	62304	109928	0	89041	79672	62852	85405	101999	185044	83216	61463	55154	75893	42656	62106	62334	84703	117994	150848	82820	105367	571	118165	113869	56499	46280	46199	107040	69440	121767	92728	99974	53643	0	81318	102417	Lipid	0.5	1.3333334	0.0
14	C24 H32 O12	513.19666	513.1976	0.1367567	513.1967	54410	57475	57095	122446	23809	29785	44564	74882	43114	123583	60564	40529	41408	13970	54627	65032	44055	42930	44056	97452	68393	76740	106962	68973	45411	31250	40265	56578	64577	70001	61946	84401	72749	50220	255834	78728	55759	50599	45486	65109	49989	28696	0	0	0	85818	63070	0	66447	66560	61674	57714	32774	0	48404	24027	23077	75140	76629	42523	61376	90980	42987	39343	23546	33767	25533	44466	28314	51459	39201	62342	63034	160182	46699	59677	0	96292	57273	30583	55057	103468	46447	48024	30934	27961	41088	32265	33468	55574	56452	61199	68920	47502	52439	0	128164	53896	29576	34158	26619	61014	40733	85359	61350	50038	31784	0	46640	41013	Lipid	0.5	1.3333334	0.0
20	C24 H32 O12	513.19666	513.1973	0.06330895	513.19666	92212	83222	84070	71189	61381	68666	38200	99439	98279	224228	46749	37138	102574	26595	107023	92127	21860	99822	151298	167988	132084	126246	79702	80863	104775	38883	30719	47385	106704	96175	97310	87544	104387	76853	253048	89204	129697	87102	34127	137457	27968	45835	982	0	0	151422	41931	0	90972	73468	76987	82684	60466	0	152498	45522	44395	89512	132856	18334	78614	70522	108157	87461	29269	71675	55487	30631	43282	126765	60438	139745	86998	99411	32880	89378	0	79035	72077	32817	52952	58171	65289	56196	47289	45287	39258	29573	55410	24757	93586	103136	113912	55950	69409	0	97078	85919	45201	32980	36793	78543	58320	102882	77988	80529	35760	0	48142	118552	Lipid	0.5	1.3333334	0.0
10	C23 H32 O11 N2	513.2079	513.2087	0.09869749	513.20795	17277	13336	14391	14945	5397	6750	10950	21350	7189	17605	5673	10129	9005	2646	17623	14302	11070	10781	12338	18810	15977	27309	13932	19262	14457	1864	5753	5447	22400	12129	15486	15641	24215	15198	26639	17718	23503	11707	13416	16814	8839	6683	0	0	0	11789	8504	0	19161	18342	15114	13550	6829	0	14775	5342	4500	19435	15187	6384	18448	10143	9662	9637	3904	9629	10350	11508	0	6177	2701	19789	14594	17224	8270	13451	0	13799	11198	7109	9232	8166	11702	6544	5826	5510	12338	10412	9639	15700	18242	22248	32142	9100	11753	0	16359	15279	5344	6979	6245	22233	11862	20759	0	18970	5127	0	12271	12948	Lipid	0.47826087	1.3913044	0.08695652
8	C23 H32 O11 N2	513.2079	513.2088	0.13609707	513.20795	13412	12840	9900	10056	5505	5989	5859	14718	8235	9071	3465	6732	8099	3747	8271	12118	8126	8351	9417	13513	11101	22483	9862	14400	8572	872	4068	5327	13621	9635	13603	13281	17445	8923	20525	12457	14030	9277	7280	13130	9498	4774	0	0	0	12242	7000	0	14880	9683	10813	9979	6609	0	8932	4844	4798	12032	10690	6629	19597	5830	12423	6498	1936	8140	8076	7272	0	2687	0	11445	9122	9034	5621	8820	0	9575	9346	2460	7857	5170	6359	3225	6827	3701	8167	6222	6444	6770	14315	19225	19735	5695	8928	0	10427	10468	4138	5503	4053	11017	7852	14209	11707	11213	5274	0	6347	11884	Lipid	0.47826087	1.3913044	0.08695652
14	C23 H32 O11 N2	513.2079	513.2087	0.0761736	513.20795	57658	36860	36876	38034	15146	21602	48800	60920	24066	44788	11480	28452	19010	6710	53998	54936	30610	30060	31786	46908	26893	83002	37184	65136	66496	7088	25122	0	65546	48374	48255	47208	76304	49394	68468	55364	63578	47900	25028	52738	20048	16630	0	0	0	56860	13022	0	48470	53342	45278	35560	21014	0	45428	11484	23656	67324	104942	19514	66286	41598	23130	22166	17082	21886	20946	17370	0	20504	5640	57902	54282	51846	27032	41528	0	50660	37328	0	30990	24728	52804	24568	18046	15544	29594	22808	35668	38052	54852	81220	90008	14786	39430	0	44786	48870	12044	13026	12538	54142	38928	89740	0	51032	9780	0	37366	27804	Lipid	0.47826087	1.3913044	0.08695652
12	C23 H32 O11 N2	513.2079	513.2087	0.0775506	513.20795	25486	18730	15515	22606	5937	7230	15120	34203	15007	14497	2855	10452	11914	3067	22636	18363	12188	12566	16360	23493	14557	40003	19225	21223	24468	2271	12802	0	25170	21554	28552	22434	28496	22412	36678	21590	26500	17452	10693	26096	12305	10028	0	0	0	24139	12410	0	22932	20778	15243	21121	8504	0	18307	5415	6539	22606	34449	11241	0	12442	12058	10531	3904	12687	9507	13255	0	7233	2243	23927	20721	23832	7289	16752	0	13447	10865	0	12988	8750	17764	9888	5727	8980	10222	9712	9668	21269	25273	29236	38541	8333	12933	0	11935	21997	7581	6570	8685	23445	15649	27126	0	18371	6197	0	14809	19333	Lipid	0.47826087	1.3913044	0.08695652
26	C28 H32 O9	513.2119	513.2126	0.021904588	513.2119	43614	45664	47239	38905	61268	33800	10174	22532	73676	88155	56246	13722	87708	42101	25169	27607	19049	60291	66906	95013	101788	42197	35729	37241	22845	149682	11301	59055	18463	19560	23761	16565	25790	21215	112358	22190	32475	19245	19846	72004	58810	20007	0	0	0	44514	41766	0	22709	22096	42794	44603	37064	0	58502	59658	24858	27717	21610	14878	28571	44160	72151	51765	19547	58884	37088	18915	147422	176201	205683	20900	17502	13481	11651	13077	0	19830	47559	25636	39973	28709	20653	52055	73129	29553	40287	29655	24154	26137	26532	28557	37241	35194	42004	0	46525	42625	42551	77445	64888	28831	16382	35578	22660	20960	43382	0	21115	66473	Phytochemical	0.32142857	1.1428572	0.0
28	C28 H32 O9	513.2119	513.2126	0.012855354	513.2119	15465	13557	13967	13007	23772	10352	4368	9879	17112	33952	19876	5059	30591	11643	5941	8017	7034	17355	22642	27523	29122	13904	9817	11599	5376	48903	5466	19232	5345	6356	8020	6348	7394	5353	33691	6106	11234	4884	6385	15369	21847	7204	0	0	0	11480	12507	0	7506	6503	15332	14248	12826	0	19449	22940	6882	9132	5099	5932	10994	9650	23973	15691	6527	23513	11781	7072	55552	64452	76301	6021	4131	3168	4732	5354	0	4352	18855	11232	13320	7355	6501	14194	22025	11374	17812	7083	6887	8382	8619	10773	11136	10251	11991	0	17871	12923	13736	29203	29998	7172	4309	11666	7759	6827	16068	0	5796	21270	Phytochemical	0.32142857	1.1428572	0.0
20	C28 H32 O9	513.2119	513.2126	0.049012974	513.2119	199020	207127	211379	175153	190842	108570	96096	141102	201693	375706	262486	104383	221505	125218	145751	176009	111428	172503	208023	407120	405241	177734	146355	168991	107582	579159	96075	236244	135791	116756	111128	123628	149756	126554	420673	115834	149679	110973	119974	276642	240364	99312	4766	604	0	177282	175687	0	135498	125010	188997	190884	140374	679	203438	166502	101404	158281	128084	98080	145094	166879	239242	171845	95549	173987	113275	123170	420599	646657	708079	127693	119740	114831	108263	117906	0	109944	205456	117387	162067	116398	113187	260801	223247	115099	196883	108511	113124	168243	151957	170100	212749	129228	164261	752	196714	183802	174591	186755	182001	149274	99555	169263	123002	141074	161738	0	124939	239809	Phytochemical	0.32142857	1.1428572	0.0
14	C28 H32 O9	513.2119	513.2127	0.07357607	513.212	13725	22457	17758	18392	8986	6127	12440	21873	12576	22485	13310	14591	5361	5198	11391	17474	18681	7686	9294	21531	19611	10919	13396	20451	14102	24750	17639	17038	10719	16488	10572	23118	14643	8616	15171	14517	11983	13942	21347	15386	18228	5379	0	0	0	10826	18144	0	12664	11961	16447	13444	9491	0	10338	9166	8461	17232	15906	16949	0	9315	12444	8669	6803	7550	5816	19016	22717	23333	36598	11761	7132	14996	18405	14728	0	12609	21767	0	23143	7405	14265	12000	11721	8683	22268	5716	6698	34022	17488	12498	20011	9257	10805	0	16454	17792	8152	14660	11485	14824	10499	15651	0	13058	7722	0	17610	7570	Phytochemical	0.32142857	1.1428572	0.0
18	C28 H32 O9	513.2119	513.2126	0.025197735	513.2119	122049	116332	114975	113883	99076	68900	78687	100410	99136	191508	152303	70452	119346	55987	85151	115007	80246	85018	123623	224303	205267	99450	98941	113406	74075	287424	74141	120223	84789	86344	93067	108416	98134	80292	221777	94319	96192	84414	93083	141072	156436	58037	1983	0	0	101392	108283	0	101040	81734	118530	112363	83841	908	125492	97985	58588	121256	76775	84955	102957	101496	118898	92857	64048	100498	73662	102362	213248	307874	381275	82006	66555	79708	89765	92810	0	65026	140123	80265	115017	84924	81763	114879	132182	65693	128554	60624	68907	117247	88994	95787	120150	76561	97561	600	111915	125839	94389	107723	108668	89670	71051	114559	58732	91181	86601	0	96198	105378	Phytochemical	0.32142857	1.1428572	0.0
24	C28 H32 O9	513.2119	513.2126	0.050643314	513.2119	131337	125017	119010	106153	135164	82782	40652	78233	137977	266385	175505	47515	205689	82999	64677	86154	42050	139464	164043	253033	241631	113923	82519	83699	66122	341774	37156	155406	65650	52568	51113	54615	81533	58545	328712	61586	97534	60092	49845	177123	134996	54015	3288	0	0	116759	101575	0	62219	58563	117231	108885	93559	0	146146	129594	66990	81260	58721	42749	86903	119441	176149	118052	56461	142929	76007	52192	300397	444653	440185	67205	57322	41276	37247	48472	0	54154	113261	70284	95998	76159	57954	117329	171025	79956	98394	56077	66139	64540	84713	79036	112070	85749	106633	0	112033	118614	104120	141815	131265	67562	46480	91071	83812	67102	111553	0	63458	163660	Phytochemical	0.32142857	1.1428572	0.0
20	C25 H36 O11	513.23303	513.2337	-0.012132232	513.23303	73162	71582	71229	60775	46373	43441	47673	104034	66943	130715	40983	33260	69900	30074	92933	63714	28821	80808	90633	98338	82385	80349	71438	86537	85230	18750	36294	43702	100896	77831	85596	83269	93853	72823	182982	96930	111199	65047	27424	80180	20694	37695	1301	0	0	71502	17566	0	83154	79606	66615	76176	50513	0	110639	41296	34155	74572	111877	18288	73784	49251	76318	62766	34897	61274	50350	30511	17053	68486	26906	91331	85264	106436	36966	75200	0	63238	49887	26115	52185	27707	60520	36691	38328	38306	44201	33737	49453	23787	71342	109808	111698	33390	46695	565	76932	72696	31823	31308	35201	87173	46623	83649	43756	70655	28565	0	48182	87852	Lipid	0.44	1.44	0.0
8	C20 H41 O11 S1 Na1	513.234	513.235	0.5100987	513.23425	2386	2434	3967	0	742	0	2030	2392	0	840	0	1271	0	0	1690	1917	2564	0	827	2252	1792	1874	925	2757	2354	0	1689	0	1896	2826	2624	4192	2071	2019	1343	2356	3953	1245	2986	1691	1424	1020	0	0	0	0	0	0	2208	2791	3229	3839	637	0	0	0	500	2761	0	887	0	1135	0	0	0	0	1677	3851	0	0	0	3653	2300	2087	1528	2029	0	2777	2601	26052	2147	801	968	971	0	0	2253	1688	910	4666	27032	0	5345	2934	2712	0	3821	3453	0	0	0	2596	1300	4655	0	3646	0	0	2535	0	Organosulfur	0.55	2.05	0.0
12	C20 H41 O11 S1 Na1	513.234	513.23474	0.17527913	513.2341	8427	8124	6038	0	1279	2501	10394	10120	0	2973	4406	7351	0	1034	7808	9672	8655	0	4611	5864	3600	0	4925	8125	4543	0	8712	0	9261	10171	11257	10320	10466	5925	4660	10350	7113	7779	12669	3661	0	2452	0	0	0	5099	4299	446	9220	8733	5900	5017	3925	0	3983	1485	2730	6731	0	0	0	0	1989	3695	1506	1664	3476	14726	0	2529	2962	7112	8799	9500	7391	6105	0	7146	6544	28665	7078	3374	6819	3097	3533	1750	7392	2184	2482	13058	45734	17673	8426	4050	3857	0	7290	4719	1966	1220	4091	8493	5269	5958	0	6946	2676	0	5513	0	Organosulfur	0.55	2.05	0.0
24	C29 H36 O8	513.2483	513.24896	0.056140285	513.24835	265341	273282	255027	257781	319367	176113	122552	209556	276038	425009	355772	126599	342853	163718	186950	243903	156806	260388	367768	521433	506292	227458	202336	239916	169411	745050	116419	348520	194804	183327	178418	194725	235951	175329	561816	195472	254443	163432	161438	348480	306502	138499	5844	0	0	240662	184895	0	214135	180955	262915	254998	231797	0	329961	264728	146354	234177	181646	120327	245104	230736	326611	269281	128619	276682	191873	184436	655272	932999	886767	175734	169661	163992	131723	176723	0	146343	303987	166202	220606	152161	151812	263282	339225	192399	267836	135784	173371	199464	231926	244208	294598	161931	250536	0	265915	270923	219491	322564	338295	229223	124130	248745	147917	207393	252423	0	163052	302516	Phytochemical	0.27586207	1.2413793	0.0
16	C29 H36 O8	513.2483	513.249	8.53067E-4	513.2483	24272	27503	23866	26367	19724	11504	22061	29687	19201	21082	14307	25103	14073	7138	21811	32998	44289	9728	12696	20486	20396	18421	22904	31731	20057	36264	32854	10934	18925	30298	21421	27498	27895	10763	17191	24020	20227	24191	50968	16437	18180	13850	0	0	0	16298	21691	0	24669	24442	28052	26261	13149	0	18232	17995	15439	35224	16276	31408	21580	11527	16529	19573	12526	15552	12128	51288	18804	28817	32970	14510	18094	23082	33990	25803	0	19869	49610	13146	34205	13880	28434	11406	28655	14618	41990	9085	13039	51783	15308	16658	0	13034	16573	0	24225	21917	17054	30219	29617	30131	18269	25270	8681	26921	21151	0	30400	10151	Phytochemical	0.27586207	1.2413793	0.0
26	C29 H36 O8	513.2483	513.249	0.038077366	513.2483	114206	111749	110876	108106	131790	73662	47122	98204	136189	152952	154686	53608	185189	91530	110511	108212	71101	127121	160157	223826	201556	97372	95078	103133	97663	358119	44018	153221	93141	83286	83281	83674	101533	73815	210736	96846	121667	75846	63222	152343	131928	73742	0	0	0	117080	88655	0	89490	91771	121775	109275	99576	0	166148	162144	64750	103937	76959	50232	104860	90945	148815	110575	52032	124101	84964	76125	327359	385129	385802	79428	68345	82079	52296	75250	0	64488	127064	76151	93272	76080	69130	124480	173641	92996	121140	68933	78427	74458	88869	92220	130130	74853	97454	0	113040	122964	91273	172576	186256	121678	60704	115346	62311	77562	124348	0	81384	132897	Phytochemical	0.27586207	1.2413793	0.0
20	C29 H36 O8	513.2483	513.24896	0.039621823	513.2483	196778	206903	183920	188324	194281	108609	135578	177988	193337	211104	185688	120112	158077	113503	155036	222295	199147	150442	206720	272336	277841	150169	159213	192237	144536	410909	144026	175357	134550	144196	127641	155255	173566	124153	249422	161416	171397	139305	199518	180942	226753	112204	3749	841	0	142426	165586	0	162653	147407	189783	196537	149398	369	198765	171631	117912	195989	126460	135938	176867	123409	184877	169893	106347	158780	120368	227615	323031	404981	509799	121446	127315	130164	168658	156520	0	124449	264314	118768	182953	97603	141599	207624	224088	130405	248499	108518	119987	229164	182664	183768	226455	117513	145743	0	191438	184866	162435	226032	221158	177621	121526	184814	94692	171556	175045	0	162773	183272	Phytochemical	0.27586207	1.2413793	0.0
8	C23 H36 O9 N4	513.2555	513.25635	0.17876686	513.2556	1267	1304	0	2193	0	1205	0	1104	0	0	0	0	0	3851	1287	0	0	0	0	0	0	0	0	0	713	0	0	2856	0	0	0	1282	0	0	0	969	0	784	0	0	0	0	0	0	0	0	1183	0	1169	0	0	0	0	0	0	0	0	1357	0	0	0	0	0	733	0	0	0	0	0	0	0	0	0	1045	0	0	0	0	0	2980	0	0	0	0	0	0	0	0	0	0	41434	23551	1415	0	0	0	0	1573	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.39130434	1.5652174	0.17391305
12	C27 H36 O6 N4	513.27075	513.2718	-0.14123763	513.2707	0	0	0	0	0	4021	0	0	0	0	0	0	0	0	0	0	1736	0	0	0	0	0	0	0	0	0	0	0	1357	1476	0	1259	0	0	0	0	0	1457	0	0	0	1451	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1368	0	0	0	0	0	31084	0	0	0	0	0	0	0	0	0	0	34621	9440	0	0	0	0	1436	0	0	0	0	0	0	0	0	1381	0	0	0	0	Peptide	0.22222222	1.3333334	0.14814815
16	C27 H36 O6 N4	513.27075	513.2707	-0.34746745	513.27057	0	4146	3835	0	0	0	8892	7974	2689	2239	2325	5231	0	1491	3320	5571	6292	0	2021	0	0	0	2499	2499	1792	0	13773	5682	6169	10888	8140	6684	8750	3318	0	5684	4215	2456	6170	1519	0	1816	0	0	0	1482	0	0	9572	4704	2979	2662	2102	0	2096	2042	929	2965	1707	2864	0	0	1828	1511	1540	1708	3171	6034	0	0	0	3443	7054	8459	9246	6318	0	5282	5246	14306	2260	0	2591	0	2125	1322	4135	1418	1294	0	107886	14154	0	0	2135	0	4863	2649	1332	2272	2073	5392	3947	5098	0	0	1376	0	3403	2100	Peptide	0.22222222	1.3333334	0.14814815
18	C30 H40 O7	513.28467	513.28534	-0.029879045	513.28467	19215	15416	15386	13143	14825	7690	17934	14555	9459	3958	5140	16254	11469	11397	10796	21607	36742	2867	14742	10741	5015	5965	10064	11580	14518	11941	25864	10637	5432	11766	11146	14956	18949	6724	8978	17062	7963	22846	41475	3173	14741	11243	0	0	0	5016	7284	0	17438	14447	14980	13853	12621	0	22513	18882	13563	17851	9956	18156	9720	5557	12373	15902	9082	6391	8533	40103	9326	10293	17431	4017	4633	14970	28541	14957	0	8234	32258	10430	28511	7075	12677	4229	34379	18636	33347	5729	8424	38495	12172	9066	19057	7296	4764	0	12396	10391	16824	36554	35046	18435	12713	11395	4684	14941	22902	0	24589	9552	Lipid	0.23333333	1.3333334	0.0
26	C30 H40 O7	513.28467	513.2854	0.036329128	513.2847	194389	191230	194861	177622	290463	114320	108188	193212	227590	184634	255538	98756	251281	149138	172185	192656	152367	203223	326384	330052	290249	157884	165199	201730	176107	505160	111125	261951	198833	195144	154332	172262	214248	141285	244950	213065	213293	140211	157287	221698	220151	147799	4323	0	0	157583	142119	0	167771	165072	202344	193962	202814	0	312770	288269	136372	178614	155519	104016	190273	149454	220202	206234	100190	199821	168477	175671	410670	445578	432907	127601	125020	169119	127512	156367	0	126325	235723	158780	172893	114782	158829	196123	354311	185419	232078	116415	137842	158776	174418	191209	228288	167215	162523	0	188611	209365	177652	356870	381670	239513	100157	223916	129419	146447	276694	0	145123	201071	Lipid	0.23333333	1.3333334	0.0
6	C31 H44 O4 S1	513.3033	513.3039	-0.46461827	513.30304	0	0	591	0	0	837	0	0	0	0	768	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20850	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	64467	0	0	0	0	0	0	0	0	0	0	37932	16544	0	1886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.12903225	1.4193548	0.0
8	C31 H44 O4 S1	513.3033	513.3035	-0.28608897	513.30316	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	74726	0	0	0	0	0	0	0	0	0	0	41202	11583	0	3353	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.12903225	1.4193548	0.0
22	C31 H44 O6	513.32104	513.3217	-0.02604607	513.32104	10064	10621	13986	11885	13085	4719	21613	11698	16197	2778	7146	9702	8625	11457	15135	16822	32950	5795	20489	5675	2467	6632	14225	7327	18021	6351	26945	7374	12453	11322	9941	13616	16593	8023	3255	14281	19431	17694	38472	4602	5667	12030	5623	0	0	4400	4081	0	13715	13897	8375	15997	15179	0	27083	29086	15249	17294	8761	8919	13124	3027	9640	17838	13519	7029	13139	41969	4125	7476	6692	2602	6218	12737	20902	9217	0	8738	24462	7409	21257	4962	17626	5284	39467	25506	30284	8112	8192	34449	10660	7867	16467	5046	5264	0	13863	12106	16751	46921	41558	30596	10884	12061	4678	12221	29495	0	22929	9297	Lipid	0.19354838	1.4193548	0.0
14	C30 H44 O5 N2	513.3323	513.33295	0.090096936	513.33234	10831	8623	11627	10593	0	0	2314	401101	0	0	0	7166	0	0	0	20848	28522	0	0	0	0	0	0	0	0	0	7004	0	24465	49390	822629	16722	0	7482	0	21366	0	0	5595	0	0	0	0	0	0	0	0	0	20911	164135	7630	7623	0	0	0	0	0	4350	0	0	0	0	0	0	0	0	0	7222	0	0	0	205499	14146	102123	11570	31270	0	5062	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9256	7139	0	0	0	0	4144	0	0	0	0	668	0	0	Lipid	0.16666667	1.4666667	0.06666667
26	C32 H48 O5	513.3574	513.35785	-0.032709405	513.3574	2400	2763	3499	3044	0	0	12478	0	0	0	2473	0	0	3715	0	0	17923	0	0	0	0	0	0	0	7852	0	10845	3256	0	5753	3135	0	5139	2245	0	5161	1693	5598	14029	0	0	0	0	0	0	0	0	0	2773	0	2217	2480	2805	0	5036	9863	5235	5730	0	0	5177	0	0	2511	2695	0	3120	18975	0	0	0	0	0	7135	0	3881	0	0	5627	0	3089	0	3657	3212	8650	7790	17793	0	2256	17483	4097	2627	0	1953	0	0	3384	0	3607	15810	20802	5342	2735	0	0	1875	8042	0	7622	0	Lipid	0.15625	1.5	0.0
28	C32 H48 O5	513.3574	513.358	-0.00462152	513.3574	1609	2297	2625	2252	1252	0	11967	3135	3110	0	1531	1000	0	2003	2190	2707	7629	0	2387	0	0	0	0	0	6983	0	9596	2889	3090	6005	2615	3997	6304	1211	866	4412	3198	5403	6012	0	0	0	0	0	0	0	0	0	2433	0	2634	2782	2235	0	5224	6779	2968	4270	3958	1986	2796	0	0	893	1541	1457	1592	10354	0	0	0	0	0	3461	0	3659	0	1759	4919	2339	1798	0	3644	1572	8285	6057	13139	0	1725	7317	3700	4496	2048	1493	0	0	2468	2719	3796	14052	22915	7377	1494	3047	0	2545	6072	0	5244	0	Lipid	0.15625	1.5	0.0
28	C28 H52 O6 N2	513.38983	513.39026	0.14821807	513.3899	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1218	1191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53021	0	0	0	0	0	0	0	0	0	0	182696	34297	0	5236	3427	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21428572	1.8571428	0.071428575
18	C20 H19 O15 N1	514.08276	514.08356	0.15437332	514.0828	0	1859	1731	3672	10009	2929	0	0	10057	0	0	0	24863	2449	0	0	0	4806	12474	0	0	5071	1862	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1179	0	1289	5881	2280	423	0	0	3237	15922	359	0	0	2027	0	4096	0	9689	14944	4601	0	1628	0	0	0	16204	6828	4711	7771	2027	0	4110	0	1548	0	0	0	0	0	0	0	0	9377	0	3662	0	0	13009	1155	0	2961	2639	1862	0	0	0	13593	5983	0	2380	2822	10669	10544	11701	0	0	0	13383	0	10283	0	0	14984	Phytochemical	0.75	0.95	0.05
20	C20 H19 O15 N1	514.08276	514.0837	0.027828455	514.08276	0	0	2636	1589	8752	5242	0	0	9350	2613	0	944	17946	0	0	0	1254	4900	5677	0	2829	6375	0	0	0	0	0	0	0	0	0	0	0	0	2167	0	1785	0	0	2519	4482	3017	0	0	0	2959	10629	525	0	0	0	2139	3450	0	6909	8109	3355	0	0	989	0	4150	12928	9485	2957	4826	1960	0	2009	0	0	0	0	0	0	0	335	0	0	4183	0	5457	0	0	14261	0	0	3074	0	0	0	0	0	12121	5538	0	0	2202	8186	12040	8934	0	1336	0	13520	0	5902	0	0	21818	Phytochemical	0.75	0.95	0.05
16	C20 H19 O15 N1	514.08276	514.0837	0.17159788	514.0828	3254	5354	5866	3662	23096	4532	0	0	21078	0	0	0	46448	0	0	0	0	13464	13668	0	0	9622	5896	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2620	5274	6140	0	0	0	0	22328	0	0	2356	3318	5600	6404	0	19474	31032	4596	0	0	0	0	3304	41450	22660	7918	19274	0	0	0	0	0	0	0	0	0	0	0	0	3624	0	3026	6566	0	0	19336	4504	0	3894	5130	0	0	0	0	22168	7319	0	3172	3250	16226	25534	37078	0	0	0	10600	0	19746	0	0	38328	Phytochemical	0.75	0.95	0.05
14	C24 H19 O12 N1	514.098	514.099	0.19625573	514.0981	3705	4685	2018	5375	8523	2884	0	0	10653	12492	12938	0	12714	2065	0	0	0	5656	6532	8530	13355	14296	2425	0	1650	1658	975	0	0	0	0	0	0	0	30662	0	0	0	1415	7651	16305	0	0	0	0	4877	19886	0	0	0	3928	2124	3879	0	8574	6580	3615	0	0	0	0	8247	18721	8303	2012	8166	2246	1375	0	6281	6647	0	0	0	0	0	0	0	1728	0	3351	7521	0	3768	10030	3294	2550	0	0	0	0	0	0	21911	18880	0	2301	2606	5928	8186	9034	0	0	0	0	1440	4951	0	0	9988	Phytochemical	0.5	0.7916667	0.041666668
28	C24 H19 O12 N1	514.098	514.09863	0.06623395	514.098	4907	2677	4161	4101	6905	3409	0	0	6398	12845	2280	949	14560	1365	0	0	0	8211	6800	5536	10574	14470	0	2037	0	0	1228	1105	0	0	0	0	1137	0	17582	0	2115	1126	0	5955	5134	0	0	0	0	5063	11397	0	0	0	6461	4675	4005	0	12123	4238	2080	0	0	0	0	4086	12700	9111	2819	7391	2960	0	2430	3716	4128	0	0	0	0	0	0	0	3847	8973	3178	4715	929	2568	5695	4271	2874	1816	1815	0	1273	3372	0	16215	20960	0	4606	2942	3557	4439	5486	2034	0	0	8785	1293	4329	0	1594	12190	Phytochemical	0.5	0.7916667	0.041666668
24	C24 H19 O12 N1	514.098	514.09875	0.09938235	514.098	5202	4543	5314	4066	9077	5384	0	0	9538	16598	4444	2401	13409	2363	2095	0	0	13404	12371	6804	13743	19996	5543	1687	1391	1719	0	1461	0	0	0	0	0	0	19697	0	2939	1591	1402	6186	6775	0	0	0	0	13650	15734	0	0	0	4129	5935	3462	0	13059	7765	2561	1543	1877	1515	0	4565	14501	13909	3334	8186	1165	0	2418	2703	5053	0	0	0	0	0	0	0	7407	10865	4065	9682	0	2919	11874	4687	2172	1937	3199	0	0	5387	3201	23169	33506	0	3829	5376	5303	5132	6896	1550	0	0	7917	1774	6545	0	2282	15780	Phytochemical	0.5	0.7916667	0.041666668
20	C24 H19 O12 N1	514.098	514.0987	0.11224243	514.0981	10903	10882	10154	8005	15792	7822	1496	0	18370	33974	14706	1119	30315	4724	2042	2584	0	17278	13513	22833	26045	40475	3387	3072	3172	2966	0	4141	1444	0	0	0	2499	0	41619	0	3468	3490	2013	15026	20462	1499	528	0	0	19456	33803	520	1711	0	8819	7137	10776	0	21318	12811	7372	3218	2071	3009	4632	15043	30654	18991	6118	19842	5124	1539	6641	8381	9813	0	0	0	0	0	0	2379	9521	35923	5863	16900	2915	11054	21960	9503	6153	4120	5186	5398	0	9042	3769	49193	44057	0	11540	6665	12722	15911	15047	2534	1015	2014	23043	3455	13020	0	2614	28795	Phytochemical	0.5	0.7916667	0.041666668
16	C24 H19 O12 N1	514.098	514.0989	0.15703845	514.0981	6202	8188	9656	8686	10540	4264	0	0	16787	33928	17702	0	24947	3019	1617	2501	0	14135	8903	11042	23213	30274	2619	1609	0	5262	1175	3833	0	0	0	0	0	0	44072	0	0	0	0	14728	19546	1730	0	0	0	10541	26311	0	0	0	10549	7277	4951	0	11946	7167	4004	2271	0	0	0	8299	34876	15165	2980	14937	3112	0	8867	5743	10750	0	0	0	0	0	0	0	5856	29148	3376	14841	0	7452	14008	6008	4170	2938	3923	0	6794	3707	0	44461	47441	0	6327	6684	9227	14392	13944	1849	0	0	10038	0	10005	0	1505	22674	Phytochemical	0.5	0.7916667	0.041666668
26	C24 H19 O12 N1	514.098	514.09863	0.09587702	514.098	5841	3319	7091	2920	5871	2920	0	0	6854	14589	2695	0	17405	2383	0	0	0	10432	11110	0	13692	18152	0	0	0	0	0	0	0	0	0	0	2369	0	11603	0	1966	0	0	5291	6327	0	0	0	0	0	10733	0	0	0	3605	4466	5503	0	11774	0	0	0	0	0	0	5047	13628	12109	0	7655	0	0	0	2720	3855	0	0	0	0	0	0	0	3924	8898	2637	5880	0	2280	6047	0	2591	0	0	1794	1695	2306	0	21242	33715	0	4261	0	4940	3902	7304	0	0	0	6425	0	6766	0	0	15646	Phytochemical	0.5	0.7916667	0.041666668
18	C24 H19 O12 N1	514.098	514.0988	0.13353059	514.0981	7472	5282	8715	8743	12567	4929	2787	0	22289	40765	17580	1223	32078	6968	3647	0	2573	16620	18658	26101	28244	45705	4266	2581	2603	4064	0	4271	0	0	0	0	2772	0	48402	0	0	3255	0	20687	22146	3406	598	0	0	23377	33443	0	0	0	10736	6868	7227	0	20456	15225	5962	1980	1853	3470	1816	14123	27138	17716	3406	15413	6531	0	8890	7481	9250	0	0	0	1655	0	0	1295	6556	30879	4305	16784	0	5967	19749	9435	5918	5097	2886	2423	0	3492	2747	44902	47134	0	7103	9473	17601	14647	18280	2709	2884	3710	19295	1867	9365	0	2653	25690	Phytochemical	0.5	0.7916667	0.041666668
22	C24 H19 O12 N1	514.098	514.09875	0.15807495	514.0981	8774	6120	8694	7109	11393	5908	1082	0	10631	20291	5239	0	19324	0	0	4823	0	17870	12363	10466	18935	37713	3417	2444	3057	2112	0	2915	0	0	0	0	2015	0	29500	0	3719	2207	1812	9324	11366	3128	0	0	0	15851	26709	0	0	0	12002	5904	4162	0	19859	10391	4903	1560	1651	0	2008	7502	22590	19954	7335	13584	5620	0	5398	5643	5056	0	0	0	0	0	0	1657	7612	22593	5719	13898	1413	5987	16164	6724	6087	2741	3041	3015	1921	0	2603	35586	39265	0	7201	7323	9760	12853	12330	2649	0	2877	17094	2420	9567	0	2093	22574	Phytochemical	0.5	0.7916667	0.041666668
28	C21 H23 O14 N1	514.11914	514.1198	0.09125915	514.1192	6700	5306	8731	6166	8883	8325	0	0	8919	9780	4232	1714	13021	3994	2031	0	0	11962	8089	12127	23032	9725	3192	0	0	0	0	1512	0	0	2010	0	2891	0	12581	0	2816	1522	0	6912	11338	3214	0	0	0	39836	87496	0	1069	0	7104	4856	7235	0	7995	6099	1749	915	2741	1847	0	11389	8160	6359	2578	6543	4084	0	7335	6141	9818	0	1308	2267	0	1223	0	1314	1399	8202	2743	36008	0	2031	9055	0	1560	2068	3533	1813	0	2275	2756	12797	9478	0	7100	6729	8868	3162	2483	3046	2142	0	57840	2025	6486	0	0	15468	Phytochemical	0.6666667	1.0952381	0.04761905
14	C21 H23 O14 N1	514.11914	514.12	0.11288691	514.1192	32249	33308	28969	25779	54344	29777	6079	13049	60766	26584	27647	14058	109934	21271	19107	7608	27068	78595	74370	42279	76529	64071	32473	16066	3871	4209	7961	7574	7889	9196	8563	10907	18232	7869	53782	11888	14424	15794	17952	18297	53761	32428	0	0	0	93445	257391	0	9507	13420	29620	31062	33380	0	87727	68918	24925	8371	14463	21070	0	39864	104509	65451	27283	51156	28706	10545	24763	5532	16162	9456	6896	8457	12805	6306	0	16357	23091	59780	19604	79732	3614	5582	77930	39487	16063	20619	27262	11087	0	7447	22093	80905	61341	0	31864	43867	63803	57016	69416	22906	15186	16668	198651	16581	64874	0	3265	81106	Phytochemical	0.6666667	1.0952381	0.04761905
18	C21 H23 O14 N1	514.11914	514.11993	0.13279162	514.1192	29478	19462	25551	22044	44199	29487	3492	9720	47664	12693	15878	9776	87476	19474	15961	10736	10898	68907	62777	28563	45265	49342	24646	9884	2455	2581	4005	4069	9237	5167	8327	6896	12923	0	25849	8042	7890	11990	5017	17733	27913	23629	1528	0	0	102837	182107	629	6371	7879	28122	21104	30157	0	59540	57042	18218	5965	13231	13327	8771	37125	65971	45585	17053	41302	17611	6792	17186	4042	13142	7161	6976	5203	9704	0	434	13012	13978	48498	12525	99770	4844	7061	52380	24529	9301	16617	16075	4922	5326	7496	12181	57342	34425	0	18425	32383	48234	35091	41248	12964	10194	8231	136910	11056	43675	0	5818	74288	Phytochemical	0.6666667	1.0952381	0.04761905
24	C21 H23 O14 N1	514.11914	514.11993	0.14328256	514.1192	4757	6606	5842	4768	5156	9129	0	0	6781	3365	4402	1417	15274	3889	0	0	0	16090	7366	11946	12566	6647	3343	1368	0	0	0	1023	0	0	0	0	1571	0	3795	0	1405	1901	1481	5264	10090	2921	0	0	0	38760	102224	0	0	0	4928	3972	7764	0	9227	4943	2046	1237	3858	1878	1514	14132	8772	7743	2845	4290	2755	0	2757	3129	3579	0	1933	0	2043	1449	0	1591	0	11195	0	41468	0	0	11240	0	1376	0	4467	0	0	1834	1988	8066	11091	0	3783	6996	9295	4846	6207	0	1684	0	62697	1458	8240	0	0	14839	Phytochemical	0.6666667	1.0952381	0.04761905
16	C21 H23 O14 N1	514.11914	514.11993	0.101912335	514.1192	57013	44371	44440	27583	53449	39477	6584	13220	88871	32822	52301	21153	149227	27636	25529	20349	19246	106006	78274	60788	62451	80914	49891	13815	4014	9673	6903	6357	9122	11365	7893	9911	12732	10418	55842	14991	19608	23594	7707	26866	36596	31482	1853	0	0	127699	272699	0	11407	9894	31246	41012	40735	0	112703	76215	35642	9229	17390	13592	15511	54834	119938	79197	28838	66068	33639	13928	24613	21962	34864	7712	8185	7383	15147	7682	0	24300	27692	64834	20616	114109	5145	17955	97287	45584	28061	24011	36542	0	0	34059	0	120114	91328	0	41974	63058	62292	61278	102987	23572	14382	14134	179773	11717	88416	0	14048	119639	Phytochemical	0.6666667	1.0952381	0.04761905
12	C21 H23 O14 N1	514.11914	514.12	0.16009554	514.1192	24228	30084	24168	15268	34824	20310	4577	8970	52277	20815	28864	20952	67259	10530	15353	10265	15450	50047	58551	26616	52439	59470	26100	12369	3270	0	2451	0	8570	7483	8818	6727	14887	8273	37695	5463	10340	10907	9892	17335	33169	23786	587	0	0	58213	180263	0	5263	10593	21519	21898	25276	0	54925	39881	19812	9249	9408	18866	0	16596	79678	36400	17016	46491	22411	15050	0	5320	10966	7069	5611	5708	12167	6254	0	12679	18577	49039	14778	49886	3795	7081	54836	22652	12848	17794	17606	17519	0	3261	19398	66688	33409	0	18405	27555	53133	43549	45758	17587	9957	9962	130835	10930	51569	0	5518	69930	Phytochemical	0.6666667	1.0952381	0.04761905
26	C21 H23 O14 N1	514.11914	514.11993	0.092433654	514.1192	4290	4978	5880	5425	7242	7960	0	0	9711	7034	0	0	9423	0	0	0	0	12086	5772	10149	19457	6744	0	0	0	0	0	0	0	0	0	0	2723	0	7835	0	1646	0	0	6289	11023	0	0	0	0	31474	98375	0	0	0	5092	5154	4069	0	8074	8089	0	0	2533	0	0	9437	10033	3542	0	3499	0	0	0	5762	5591	0	0	0	0	0	0	0	0	8290	0	41446	0	0	7099	0	0	0	3543	0	0	0	0	9949	7330	0	4950	5134	6391	2834	0	0	0	0	53912	0	6128	0	0	13869	Phytochemical	0.6666667	1.0952381	0.04761905
20	C25 H23 O11 N1	514.1344	514.1351	0.08737801	514.13446	23532	21849	22818	16117	22021	12090	5999	3914	27188	96988	45748	4835	42998	9728	5229	9468	3223	23663	24157	54423	60803	63942	8447	5932	5470	34542	4795	22021	1832	2198	4643	3402	8276	4117	115531	3122	8217	4562	4598	54540	39395	7296	788	0	0	43516	55786	0	4789	1804	19809	18350	15979	0	33577	24349	10662	8754	4469	2784	7370	26726	46829	23489	8685	27041	13198	1444	36779	55217	38682	4207	2621	1293	3231	1712	0	3083	10127	47415	7512	37337	5752	32422	24362	12586	10499	11561	9293	5261	12974	15172	14951	62273	77979	0	21808	23228	22809	18709	21737	7335	2733	5985	33240	7281	16819	0	5666	40091	Phytochemical	0.44	0.92	0.04
28	C25 H23 O11 N1	514.1344	514.135	0.04757248	514.1344	3581	2560	2087	2044	2494	2341	991	0	4632	16873	4263	0	4423	1592	0	0	0	4870	3869	6418	9440	8880	0	0	0	3842	0	2365	0	0	0	0	1550	0	14608	0	1365	0	909	5930	5005	0	0	0	0	6657	6729	0	1305	0	0	2613	2098	0	5677	0	1115	0	0	0	0	3143	5680	5435	1553	4121	1600	0	3995	8560	7005	0	0	0	0	0	0	0	2479	6169	1490	3978	0	2361	4762	0	0	1592	1569	1583	0	1747	2142	9975	20646	0	3312	1986	2731	2229	2378	0	0	0	4248	0	3080	0	0	6710	Phytochemical	0.44	0.92	0.04
10	C25 H23 O11 N1	514.1344	514.1352	0.082198255	514.1344	3894	4059	1464	4965	4310	0	974	0	4594	20735	7779	0	7164	1705	0	0	0	2189	2517	7686	12997	11201	0	1596	0	3723	0	3704	0	0	0	0	0	0	26217	0	0	701	0	7338	8362	0	0	0	0	7043	10225	0	1720	0	5478	2479	1745	0	3416	2905	1790	0	0	2244	0	3292	4018	4295	1274	4446	0	1521	0	10119	13789	0	0	0	0	0	0	726	2568	0	1777	3663	0	1947	4216	2207	2941	1136	1395	0	0	1977	0	11664	14651	0	3987	2356	3684	5433	2366	0	0	2458	0	0	2764	0	1060	4412	Phytochemical	0.44	0.92	0.04
22	C25 H23 O11 N1	514.1344	514.1351	0.049574185	514.1344	13286	14306	13912	15356	16513	8128	1494	3172	22199	58203	22502	0	22675	8721	2694	2436	3209	20807	19194	29799	43063	42117	5556	4412	2314	18482	3036	11495	1984	1425	3772	0	3774	1933	69415	2635	6822	1918	2082	27686	23678	4512	0	0	0	31239	46572	0	2396	0	10722	8341	11568	333	20325	14458	6270	2444	2047	3196	5225	16297	30911	19023	8683	16412	6465	2599	23010	35800	30337	3062	971	0	0	1841	0	1468	11057	25606	4754	26305	2422	15635	19428	10606	10409	6059	7109	3808	4953	8677	8211	48606	58567	0	15971	12050	16730	18688	12455	7143	2274	2995	23212	3681	11832	0	3714	21741	Phytochemical	0.44	0.92	0.04
24	C25 H23 O11 N1	514.1344	514.135	0.06370613	514.1344	4887	5505	6707	5124	9659	4553	1921	1211	10762	35063	10053	1488	15133	4012	1333	2813	0	10380	13639	11879	19180	20738	4174	0	2184	9156	0	5007	0	0	1506	0	2893	0	34036	0	1917	1477	1424	10796	12668	1915	0	0	0	15111	19769	0	1230	0	8553	5417	4826	0	11675	7145	3777	1423	1651	0	2273	11854	13495	10016	0	8486	1905	0	8634	19733	13128	1031	0	0	0	1886	0	1771	4055	11834	5463	14214	1075	7261	14210	7232	6180	3317	3709	0	2998	4278	3785	21517	37673	0	6082	5714	5691	5636	6399	0	987	1611	14755	1620	5612	0	2502	14224	Phytochemical	0.44	0.92	0.04
18	C25 H23 O11 N1	514.1344	514.13513	0.06625496	514.1344	24807	24942	22422	21174	27632	14164	4134	3693	19917	102165	55202	2084	39411	13726	6618	5015	3803	30412	28943	58645	72783	68054	8557	6601	7693	49652	2217	31099	0	3066	3933	5078	6137	0	134879	3195	5176	3604	4212	55547	48257	7703	532	0	0	41077	49276	0	3698	4266	24196	23725	13071	0	34657	21733	13571	6834	4860	4747	7539	33062	49139	26358	9313	28862	16548	3933	46227	50661	58163	2515	1943	0	3650	0	0	4569	11394	51022	12045	34859	8114	33203	25361	13423	14389	7795	12739	9383	17637	20857	8759	59381	88039	0	19895	21889	19682	23975	25750	5100	4683	8097	34966	4860	14875	0	5502	32048	Phytochemical	0.44	0.92	0.04
26	C25 H23 O11 N1	514.1344	514.13513	0.004353554	514.1344	3910	4405	2565	0	3697	3485	0	0	6945	23413	4883	0	9805	0	0	0	0	5258	5827	6460	11427	16094	0	0	0	0	0	3217	0	0	0	0	1708	0	24339	0	1569	0	0	8594	6369	0	0	0	0	7868	12131	0	0	0	4030	4274	3343	0	6993	0	0	0	0	0	0	6041	8767	4871	0	6190	0	0	7478	6936	9517	0	0	0	0	0	0	0	2407	8283	0	6241	0	3804	0	0	2680	0	0	0	0	1900	0	14034	22602	0	3752	0	4706	2100	0	0	0	0	7666	0	4172	0	0	10078	Phytochemical	0.44	0.92	0.04
8	C22 H27 O13 N1	514.1555	514.1565	0.1677475	514.1556	11797	15973	12299	13984	9014	4725	6927	14463	13897	22282	13754	11843	23908	3493	8975	14300	14811	16167	17100	23853	28812	25733	11810	13955	2549	4258	5511	2814	7393	12728	9656	11605	8598	9301	25531	10991	9129	7951	15452	14734	20182	8524	0	0	0	27026	46769	0	13077	12633	13164	13124	7623	0	19168	14031	7383	9030	6085	14160	11293	12959	24415	15558	6049	12039	8748	16423	10004	6497	11758	11821	8948	10844	10841	10457	0	6725	11802	16607	8449	16502	5987	6290	18313	11659	8601	8262	8692	15845	0	0	15631	19016	24818	0	11979	18596	12605	12604	16210	13847	7981	15770	24218	10567	15635	0	7361	19675	Phytochemical	0.59090906	1.2272727	0.045454547
16	C22 H27 O13 N1	514.1555	514.1563	0.087447345	514.1556	132487	125851	114149	123756	127030	106110	57752	132988	162161	179244	99058	73793	248972	61215	116349	97821	69564	258225	222272	289689	296885	209112	126623	118321	66672	73978	48006	60466	112375	106743	105055	105943	113737	74845	250041	113006	105645	79640	56154	181416	131389	97166	4600	466	442	502747	574231	541	102209	126581	118205	124787	110017	638	208509	125626	62769	82541	129503	56210	140180	154397	186147	132375	63145	115776	96821	50720	133991	125264	129379	0	97010	111782	72249	95096	425	82704	77739	149848	75977	376908	62392	92692	154778	99743	59523	65080	82730	63475	47720	108359	129059	164969	231513	1160	132376	171287	129860	77477	107127	120112	77354	124284	473794	107755	133656	606	63967	200385	Phytochemical	0.59090906	1.2272727	0.045454547
14	C22 H27 O13 N1	514.1555	514.1563	0.101122685	514.1556	126439	123670	115916	127320	103451	85534	63188	142813	131456	199019	115460	67563	209934	58489	108732	110380	84524	189806	175094	243160	272889	226390	127014	122816	64609	67534	52909	73021	99639	101834	84488	106456	108880	77258	256752	109793	0	89477	61261	144919	158245	93278	3287	0	0	417301	582612	399	90279	116063	119829	114398	82954	473	200196	108461	59334	102527	161047	74290	127740	169243	174796	137693	57337	114763	76436	56277	120905	97319	98643	91247	93537	106578	74275	86717	0	83009	85199	183936	75246	277418	60653	69990	119773	88063	66344	68693	79115	56319	51765	84090	128116	149935	197826	584	131702	161671	114651	74537	97563	133354	75326	137005	577986	78569	113990	0	50640	155524	Phytochemical	0.59090906	1.2272727	0.045454547
28	C22 H27 O13 N1	514.1555	514.15625	0.07380688	514.1556	8524	7648	8410	6233	10677	8203	0	6352	7020	23540	6345	2840	8097	3573	3940	3996	2951	11916	5826	36676	29346	10327	4551	5941	2182	9037	1109	2298	4571	3711	5317	4795	4502	4517	23552	4410	5186	2998	2189	18527	15030	2269	0	0	0	54810	64748	0	4153	3404	9187	8208	6404	0	6318	5153	3589	3582	3287	2952	5163	15517	6939	3717	2123	7558	4678	2369	13605	22870	14843	4409	3642	6955	3771	3125	0	3801	3193	6663	1994	34598	2306	9813	5976	3205	1653	2761	3172	1918	3062	5205	4806	5616	9069	0	8613	10714	9083	2351	3192	2281	2924	5216	47242	3649	6405	0	2255	10369	Phytochemical	0.59090906	1.2272727	0.045454547
18	C22 H27 O13 N1	514.1555	514.15625	0.07710333	514.1556	116027	105876	106695	100209	116129	98257	35782	81197	132674	160856	69398	46861	221460	60580	82295	72681	47951	194064	174373	228649	216612	174924	97223	101838	58881	58528	36773	43631	103286	79291	64741	69347	83798	74083	178594	82379	97847	70708	33335	157707	118799	71241	6557	575	426	461276	524753	335	68009	84479	98034	97242	82336	849	181713	98534	58004	71720	89795	35979	66697	139326	158903	116672	54676	103583	82474	45741	110404	104605	99897	74755	59589	91784	55811	60509	663	69182	73059	111899	68202	350189	48187	80036	124363	90935	52057	50066	59365	38025	37787	83866	87042	114749	173995	799	105225	120937	128245	72338	89711	81736	50130	95450	369644	57540	115298	0	41174	163235	Phytochemical	0.59090906	1.2272727	0.045454547
12	C22 H27 O13 N1	514.1555	514.1564	0.1132783	514.1556	69763	71749	70740	79573	58235	51443	49050	99750	75353	125282	82003	53932	105544	24435	70565	66016	80596	114698	124097	153802	169602	148220	77663	72142	34534	37081	39811	43780	70783	59680	65267	58190	75394	46911	175815	66021	56759	60546	52765	102767	150115	54478	1561	0	0	241473	395002	0	44620	86791	76313	72868	56449	0	126079	59464	40340	56645	79522	52172	71247	105643	110788	78212	32683	80985	54309	58429	57082	55933	66408	61265	61709	68096	51565	49574	0	52275	65549	115653	58538	144922	39537	45380	80277	52193	47824	35326	45604	61721	27035	50091	83926	111091	110530	0	83757	101993	87205	53723	69989	78415	48382	78409	298798	63113	78443	0	33832	100611	Phytochemical	0.59090906	1.2272727	0.045454547
22	C22 H27 O13 N1	514.1555	514.15625	0.12330437	514.1556	23667	24989	25055	28103	25928	32456	8052	20528	30629	47829	19625	11375	40820	11019	20368	17411	8765	42804	31691	45997	70320	31578	23713	19584	12883	12754	7680	8032	18063	16539	15031	18182	16539	17604	27882	22872	16557	12966	9915	44809	31597	16782	0	0	372	160291	194837	0	17001	19541	30324	22515	26017	390	37601	24287	11861	13338	17109	12702	14800	39466	36845	30407	10784	22822	16234	6460	29066	35045	32151	21851	16467	27668	17260	11720	366	20115	15559	27587	12808	112142	8413	19593	29481	19427	6996	12847	15591	6208	7598	10587	16759	35936	38188	0	27102	28230	31256	12851	13568	16155	11707	19860	149387	11316	21959	0	8744	44410	Phytochemical	0.59090906	1.2272727	0.045454547
20	C22 H27 O13 N1	514.1555	514.15625	0.08901168	514.1556	60418	49024	56734	51254	65885	59580	22025	55255	74945	78832	33911	30582	108274	30945	56059	32998	22805	100196	94999	98360	127130	72411	50017	41544	24508	40598	14714	18786	55446	42394	40792	31746	35128	34744	71027	51557	42418	34128	15862	85209	59141	29857	2935	0	438	298095	355539	0	39040	53819	59057	61440	46027	576	91490	55300	27919	31507	40023	21078	37582	71648	78791	57759	28117	46347	35953	21196	61045	69210	69685	45397	42576	55453	26019	30025	444	37474	38886	61791	28858	204030	17966	54148	78183	39218	22630	24688	33298	12167	23340	28617	48456	60319	67554	719	58784	61763	59641	28809	46276	41933	26136	50223	277740	33628	68470	0	20654	91558	Phytochemical	0.59090906	1.2272727	0.045454547
24	C22 H27 O13 N1	514.1555	514.15625	0.10965532	514.1556	10906	12550	12632	12026	13491	18702	1837	9351	14528	19231	7630	6923	19921	4640	7681	5918	3377	22861	17005	35781	35498	14192	10621	8289	3308	20434	2151	0	5487	7266	6047	6702	4352	7387	17134	6954	7608	3807	2460	17476	21303	4630	0	0	0	83197	111300	0	6102	8736	9962	11381	10058	0	12481	8534	6950	6311	4837	4188	8278	25319	12582	8944	6235	8695	5331	3037	13821	24111	22775	6851	7321	8177	6083	3900	0	6852	4892	9203	6851	64407	4164	9428	17086	6409	2947	4169	6152	0	5819	6513	5525	10005	21593	0	8315	13734	12141	4775	8274	7095	5610	10972	67658	6003	13265	0	4695	23101	Phytochemical	0.59090906	1.2272727	0.045454547
10	C22 H27 O13 N1	514.1555	514.1564	0.12797737	514.1556	40126	39529	34171	39003	26778	20400	20304	35924	33684	65474	43375	31158	49081	16562	29672	36346	32428	50375	48181	70044	89172	58590	37557	43815	10323	14078	20119	16965	33203	37271	27021	32296	35269	25226	74856	33187	32510	23811	33228	44157	58990	28617	988	0	0	85457	147004	0	28180	36465	40488	38011	26546	0	55258	33405	19359	22670	28636	34430	42584	44375	48961	36915	16920	37543	27028	37739	36786	19728	25323	34985	29500	35318	31486	25929	0	21122	32246	31284	27627	58291	17715	17373	42813	25759	26942	22872	21998	31191	8104	26516	44369	56211	69735	0	42692	47814	32128	29459	31830	42691	25765	47596	105942	27756	31099	0	20245	44190	Phytochemical	0.59090906	1.2272727	0.045454547
26	C22 H27 O13 N1	514.1555	514.1561	0.10090494	514.1556	9471	6941	5450	8567	7818	8207	0	7764	7084	20918	5238	0	12106	4016	0	0	0	17190	7321	31962	26206	11553	0	0	0	6415	0	2627	0	0	0	0	2772	5468	12663	0	4214	2582	2497	16431	11058	0	0	0	0	53354	88750	0	4716	0	11303	7539	6748	0	9816	0	3093	2134	4062	0	0	16944	4813	7397	3205	3238	6389	0	9547	14206	14661	6354	3339	0	0	2367	0	3039	2735	0	2899	36983	3060	10827	9920	0	0	0	3758	1477	2470	4028	0	8174	12136	0	9027	10775	7129	3750	0	0	0	5704	48274	4395	11434	0	0	12030	Phytochemical	0.59090906	1.2272727	0.045454547
8	C26 H27 O10 N1	514.1708	514.1717	0.08198411	514.17084	3410	2184	2194	2258	1445	1257	0	0	1549	20161	4861	0	2315	1387	0	0	0	1279	1432	10263	8372	5069	1209	1510	0	5057	938	2876	1392	0	868	0	0	1473	17159	1125	0	0	2038	6668	7112	0	0	0	0	4266	5039	0	0	1699	2961	0	868	0	2007	1022	0	0	0	0	0	3203	2932	690	0	1216	0	0	4870	10970	15802	0	1246	981	0	1678	0	0	1170	7235	839	2181	0	3522	0	0	1724	1252	1430	2750	0	0	2071	5209	4836	0	2281	3751	1471	1905	0	0	0	0	0	0	0	0	1031	1352	Phytochemical	0.3846154	1.0384616	0.038461536
10	C26 H27 O10 N1	514.1708	514.17163	0.0824156	514.17084	6749	3831	3338	4504	2986	3238	1371	1932	4461	27103	9909	1079	5478	1316	1546	1648	0	2513	2430	16476	18318	11908	2848	2990	0	15756	0	5874	1979	0	1374	1687	2894	0	26812	0	3002	2175	2094	7533	14723	1224	0	0	0	6094	9098	0	2949	0	3420	4399	2256	0	6691	2521	1499	2728	0	0	0	6864	3579	2565	1882	3936	1937	1693	14120	16625	21791	2280	1951	0	1872	0	0	0	2749	9176	2953	4934	1561	5137	3397	1232	2108	2545	1788	4361	0	3863	3530	8015	14619	0	3894	3719	4199	3497	2301	1866	2122	0	0	2169	2948	0	0	2618	Phytochemical	0.3846154	1.0384616	0.038461536
24	C26 H27 O10 N1	514.1708	514.17145	0.078574166	514.17084	7036	7969	6692	9897	9247	7063	1849	2717	11161	44637	18443	2895	16637	4974	2857	3475	0	11620	11106	17605	28883	17923	3440	4842	3194	19903	1400	13792	2271	1677	2318	1629	4686	2252	47791	3690	3909	3013	3207	20282	19183	2310	0	0	0	15341	25159	0	3639	2733	7189	11951	4557	0	10794	6045	2792	3791	3787	1701	1620	14179	15817	9001	2586	11458	3217	1753	26717	30074	35168	2379	1481	0	0	1715	0	1687	5464	13329	2901	14280	2009	11200	9992	5590	6221	6049	3633	3874	6298	6553	7393	21138	31722	0	9669	10552	10640	7340	10765	3441	1713	5769	12747	5518	4627	0	3162	13080	Phytochemical	0.3846154	1.0384616	0.038461536
26	C26 H27 O10 N1	514.1708	514.17145	-0.015265999	514.1708	4776	3287	5214	2240	3273	2643	0	0	4815	18614	9042	0	6425	2334	0	0	0	0	4788	15003	11587	10931	0	0	0	13508	0	7252	0	0	0	0	1732	0	21237	0	2389	0	0	10408	7226	0	0	0	0	10849	17177	0	0	0	4002	0	3404	0	0	0	0	0	0	0	0	6219	6354	4570	2709	5345	2600	0	11747	15966	21522	0	0	0	0	0	0	0	2852	0	0	7087	0	4879	0	0	3722	0	0	2014	0	0	0	7757	17400	0	2824	0	0	3580	0	0	0	0	0	0	0	0	0	8141	Phytochemical	0.3846154	1.0384616	0.038461536
14	C26 H27 O10 N1	514.1708	514.1716	0.090548545	514.17084	11846	9857	13144	14575	9374	8741	3944	6840	13104	67874	39548	2525	13223	6728	6357	7235	5166	13812	10827	41015	51237	34590	2933	7095	6791	41386	4780	21177	4994	3231	7949	0	4951	5046	89524	5922	3267	3712	5144	32593	32293	3460	0	0	0	18656	14992	0	4745	4530	14901	11428	5528	0	10898	8186	4217	7512	0	0	0	27972	17516	9214	5196	9927	7352	6608	34290	51398	52352	4619	4067	4153	5116	5448	0	4615	8090	19255	7472	12435	6067	21311	9757	5992	8200	5271	4832	13308	15837	14221	18797	29055	29422	0	15458	15286	8250	10409	6490	7855	4064	10155	16827	3628	9808	0	5560	12337	Phytochemical	0.3846154	1.0384616	0.038461536
20	C26 H27 O10 N1	514.1708	514.17145	0.058427326	514.1708	28630	38205	34498	30378	22820	20055	10867	8275	33541	137437	69910	6437	39623	21900	9847	14464	11445	25902	33491	104207	104653	63321	13479	19706	13029	90581	7860	64251	13083	7882	10518	9356	11464	10326	154096	7880	15371	11953	10734	71022	61869	16807	1386	0	0	60766	54632	0	13976	5597	27373	31607	22551	250	35683	26848	14187	20206	15959	8428	15374	49237	44510	30532	13830	30626	22620	7057	75871	115402	102966	8029	9391	4526	9492	6548	0	7460	18586	45981	12989	36368	11100	52678	28253	14278	20297	17862	16754	19615	29339	32736	19996	54469	78417	0	35852	33572	34101	22926	24276	13529	8873	15030	44567	15983	25322	0	14152	42316	Phytochemical	0.3846154	1.0384616	0.038461536
22	C26 H27 O10 N1	514.1708	514.17145	0.03947501	514.1708	25170	27072	20538	23454	22079	15753	3265	6168	21796	91328	49188	5953	28353	16583	6042	7728	6569	25457	24109	62091	72081	36717	9338	10589	8502	57824	5673	40732	7046	5851	5045	5330	9441	3930	111667	4998	12776	7952	4217	44072	32307	10494	0	0	0	44887	35073	0	8284	2950	20694	21138	19786	0	21647	13362	10711	10658	9043	4359	9242	38547	35172	20453	9263	19827	11278	9342	59095	70502	65398	7667	2742	3962	2893	5262	0	5604	12856	22175	9406	26774	6258	31262	22164	14981	13465	8501	7958	10587	17217	16289	10966	36363	56382	0	24575	16766	19595	21132	15562	10759	4244	12860	33761	12235	20132	0	8836	30640	Phytochemical	0.3846154	1.0384616	0.038461536
12	C26 H27 O10 N1	514.1708	514.1715	0.03876305	514.1708	5831	7866	7384	5502	4998	4678	2815	1699	6873	39090	23636	2872	7161	3637	2175	1957	4773	6904	8676	31803	32903	16319	3276	0	1827	23843	2095	15330	2942	1467	2405	2034	4000	2724	55365	4062	4984	1927	3086	18524	11675	3534	0	0	0	20152	16130	0	3180	2131	7633	7174	4533	0	5902	5494	4059	5059	0	0	0	8610	9692	8307	2083	6376	3003	0	22410	36457	32481	3806	1588	2038	1977	1871	0	2018	5070	0	4601	9067	3046	12581	4544	3418	6261	2967	3462	11908	3779	7940	7556	15553	15307	0	8434	4750	4036	7257	6496	3346	1989	0	0	3079	2758	0	4292	7453	Phytochemical	0.3846154	1.0384616	0.038461536
10	C23 H31 O12 N1	514.1919	514.19275	0.07926173	514.19196	35839	28966	34196	30528	16546	14210	22999	50469	18673	52911	27196	24049	34991	9512	29624	42495	30576	28211	37392	60717	59941	43279	37348	46857	22339	31113	25086	19013	40735	42434	32053	44663	31128	31734	52794	44159	35498	26646	29434	46723	41359	22155	0	0	0	56954	66287	0	31262	42326	34916	33248	17227	0	36429	18635	13793	33230	42326	28102	42368	29005	26546	26273	13812	24367	20474	28926	34966	33619	35758	38165	37975	42916	23966	37120	0	25436	32337	18399	25756	33546	23425	23094	27723	16716	25835	14998	15940	25587	25532	25977	44590	22255	37155	0	30348	38438	18394	17407	21518	39434	21822	53410	42055	26004	25312	0	22331	28704	Lipid	0.5217391	1.3478261	0.04347826
22	C23 H31 O12 N1	514.1919	514.19257	0.03404313	514.1919	54295	54022	57512	65505	48946	0	25435	74142	67343	119308	33489	30273	83111	27599	56921	42243	32275	98084	71754	136310	123546	57328	53693	60946	45549	56449	21417	29634	0	58052	51834	51251	54355	50683	110632	65718	60932	38012	29947	75873	43475	34317	0	0	0	186938	157154	0	56936	59646	65256	57687	45663	539	85420	46687	28412	45925	48162	23968	48783	65726	69732	61393	26202	50150	37769	19534	62785	103222	72313	61545	0	80821	34352	53066	434	43550	34187	29999	40219	109451	37120	45551	68562	43354	27266	20104	37221	14812	35484	49986	54938	38690	63576	0	60756	63096	55894	35962	39636	55382	35202	65864	131822	42056	46276	0	32407	98868	Lipid	0.5217391	1.3478261	0.04347826
8	C23 H31 O12 N1	514.1919	514.1928	0.1328772	514.19196	13810	15998	14957	18583	8309	4850	6665	16745	11062	19829	11205	10441	15470	2887	11623	16054	29197	9075	8894	24127	26691	16504	14338	23111	8581	7710	9712	4470	15616	13576	12865	17978	17631	12741	27337	18149	18058	8019	35290	18703	17915	8979	0	0	0	20709	24287	0	13571	16296	17135	18914	7270	0	12721	9269	6184	14394	11735	12891	13670	10427	15898	14241	6442	11168	9916	26448	9805	6179	7868	15605	16576	13008	10184	13168	0	9259	11981	6323	9398	10429	10053	8061	10945	6354	10224	6624	8720	13378	11921	9197	16111	11499	17279	0	20051	19304	7318	9048	8076	21095	10095	26119	16650	16592	8282	0	8145	10913	Lipid	0.5217391	1.3478261	0.04347826
24	C23 H31 O12 N1	514.1919	514.19257	0.086032696	514.19196	49567	48522	40198	36354	32894	34235	13456	45084	42284	107848	30198	22869	72197	13252	31469	37422	11723	67670	61068	101788	97410	27930	42516	41808	27911	43406	10863	16302	37234	30402	27824	33754	31210	36050	97818	38142	42387	26982	14486	71712	31984	21400	0	0	0	151714	145622	0	35212	28258	42026	48015	23710	0	51648	30724	12084	35643	27403	10044	34448	61076	49967	50022	16714	39891	17408	17044	53116	88978	52816	44512	38748	45693	23356	26665	0	24172	27547	22280	30357	101792	19518	38912	42246	31278	19970	19312	17259	9564	33491	52093	39695	21696	34790	0	36774	49416	30936	22612	17778	31531	20815	41710	114936	26617	25340	0	19127	62666	Lipid	0.5217391	1.3478261	0.04347826
26	C23 H31 O12 N1	514.1919	514.19257	0.10566021	514.19196	5683	10018	7178	8938	5923	6550	0	7298	7892	24476	5226	4748	13252	4076	6517	5391	0	11050	3932	26339	29358	7608	0	7734	6142	10377	0	4539	6543	0	6942	5492	6481	3739	26129	5648	7101	3369	4394	13112	7900	0	0	0	0	37362	37225	0	8538	6793	8935	8174	3489	0	11521	0	3424	6065	5035	4659	5439	11482	11386	4625	0	5954	4462	3243	7049	22058	17375	10510	5963	0	6223	4466	0	5355	3667	0	5176	20312	3133	6139	5884	0	3346	3130	4481	2112	6114	3675	8839	4545	10095	0	10763	10784	6142	4070	5048	0	3961	0	19259	2759	5469	0	3586	13380	Lipid	0.5217391	1.3478261	0.04347826
14	C23 H31 O12 N1	514.1919	514.1927	0.05245046	514.19196	170565	155941	143313	163854	106861	96085	115711	246596	138256	279531	139202	99726	184213	65526	177993	190896	134510	197382	190955	365890	316199	213636	176937	234024	155321	164730	90848	123800	203928	190213	149746	208939	167513	149776	339352	203017	148827	128325	98799	204272	150866	119605	4493	505	223	384723	366190	0	158712	203560	154269	139472	97979	317	198458	102988	71166	161686	264340	117726	269870	181027	151032	128029	75236	119530	102600	99893	207641	206775	161283	163135	160365	218636	126972	146871	0	128501	128890	144043	124823	213895	123059	132748	131628	104301	101446	76692	96217	103659	111466	155498	205926	123252	191723	1070	161918	198352	110386	74666	101682	203586	105112	255407	376983	125870	125016	0	103448	143615	Lipid	0.5217391	1.3478261	0.04347826
28	C23 H31 O12 N1	514.1919	514.19257	0.07488821	514.19196	5423	6143	7575	5141	3963	4866	1178	4937	5565	20366	3967	1542	7333	1256	4843	5073	0	5916	7377	23491	23543	5803	3601	6080	0	12235	1555	2377	3376	4020	4409	4465	4334	4657	17580	5012	3288	2773	3068	10242	6768	0	0	0	0	20665	15664	0	4225	5677	6522	7249	3091	0	3453	2679	1111	4047	2824	1535	4568	5616	4955	3294	1620	4152	2816	2377	7221	20404	13786	5603	3628	5358	3869	3722	0	2505	2179	3512	2301	14267	2770	6771	4139	0	2274	2135	2287	1795	2061	5165	3668	3538	4381	0	5558	6164	3006	883	2420	2409	2208	4256	14832	3710	3806	0	2254	7381	Lipid	0.5217391	1.3478261	0.04347826
10	C22 H31 O11 N3	514.2031	514.20404	0.1990754	514.20325	7545	8632	5351	5735	1834	3900	8095	11798	4195	6598	1941	3812	5850	0	9806	9964	6147	4695	4521	5631	3287	10088	8714	11153	10656	0	3580	0	6601	7349	6702	8592	15476	4464	10108	8072	12744	6403	4624	5647	1798	4892	0	0	0	5130	2342	0	11237	7766	5854	3994	3101	0	7067	1439	2744	10572	7432	3646	0	3613	7171	4868	1323	2617	4831	4770	0	0	0	8159	9592	7108	3610	6537	0	6070	4822	0	5311	4695	4381	0	1977	3080	6213	5453	3749	13636	9386	19688	21324	3657	5838	0	9067	6702	1470	1423	1491	6887	5453	9955	0	11331	2030	0	9565	7052	Peptide	0.5	1.4090909	0.13636364
28	C27 H31 O9 N1	514.20715	514.20776	-0.012791296	514.20715	3393	1501	3012	2552	1424	1503	821	0	1686	8970	5442	0	2116	0	0	3306	0	2577	3259	4163	7562	2818	0	0	0	9597	0	3689	0	0	1798	0	1702	0	5803	0	1615	1234	1481	4239	4149	0	0	0	0	3684	3701	0	1763	0	1782	2061	1909	0	3229	0	1128	1535	0	0	0	2065	2330	1636	0	3333	1595	2053	11158	12819	21429	0	1362	0	0	1131	0	0	2582	0	1225	2158	0	1756	2569	0	3072	1674	0	1691	0	2574	2320	2002	3882	0	2328	2408	1562	1850	0	1945	0	0	0	2078	2175	0	0	2252	Phytochemical	0.33333334	1.1481482	0.037037037
14	C27 H31 O9 N1	514.20715	514.20795	0.0412912	514.20715	10778	7445	10581	11361	7828	5045	7868	9359	6649	39079	19714	4069	5051	4864	5234	17061	8664	6876	9105	30000	33871	14896	5761	16041	6775	29158	6493	21098	8433	6984	6130	0	9390	7723	49134	8202	7808	4673	9893	30764	26165	7035	0	0	0	15045	18991	0	8992	7430	12319	9651	3769	0	4945	4410	1963	10158	0	18136	0	12396	6049	6258	3737	10229	6175	10088	23489	51404	45615	5199	7658	3379	6038	5749	0	6036	8495	0	6869	7728	5721	16018	6983	4127	10945	4469	5959	23096	8730	14103	20953	11529	15925	0	8072	11449	2851	5239	4846	11074	3019	11249	0	6573	4973	0	8382	5538	Phytochemical	0.33333334	1.1481482	0.037037037
26	C27 H31 O9 N1	514.20715	514.2078	0.03808816	514.20715	6666	4823	5611	2777	7054	3770	0	0	6782	16554	9940	0	7368	2098	0	0	0	7439	6919	12387	17022	8724	0	5213	0	24274	0	9265	0	0	0	0	4238	0	18566	0	4192	0	2765	11323	12323	0	0	0	0	10661	14587	0	2648	0	4814	7403	4435	0	5012	0	0	4341	3574	0	0	8676	8487	6103	0	7383	3927	0	33459	34119	40930	0	0	0	0	2623	0	0	5279	0	3029	4962	0	9158	7408	0	4983	4167	3117	2985	2767	3353	8946	5752	9948	0	8377	6269	5117	5669	5789	0	0	0	0	2901	6834	0	0	8347	Phytochemical	0.33333334	1.1481482	0.037037037
24	C27 H31 O9 N1	514.20715	514.2078	0.004697747	514.20715	15975	17088	19598	14652	19468	9932	0	8502	14224	54641	40435	6842	25831	11800	7475	9095	4895	16211	22712	49659	54925	21330	12789	12434	8790	60102	2758	39685	7754	4927	4725	9713	7980	9528	63669	7537	16469	6271	5610	41161	33276	6910	0	0	0	31508	28364	0	10172	8893	18374	18846	12613	0	19235	12083	6333	8690	7754	5532	9904	28347	20578	15713	6588	20045	13511	6802	50043	82538	77725	7702	6972	3878	4871	7212	0	4955	13457	11698	11553	15338	6463	27008	22633	10480	12037	8769	9343	8362	14866	14961	18961	22133	31694	0	17323	18482	11288	18224	17324	14065	4599	12265	19809	10237	14024	0	9015	23468	Phytochemical	0.33333334	1.1481482	0.037037037
22	C27 H31 O9 N1	514.20715	514.2078	0.002112497	514.20715	33270	41391	33076	33652	34896	26068	8821	21844	34087	103199	72863	11689	40386	20157	15786	23342	16349	37493	29380	94538	87684	43644	24841	31060	23605	119373	10081	61043	22089	21348	24075	20092	26403	17529	116007	19883	26338	14308	14833	76407	67133	15650	0	0	0	56088	47013	0	21419	23051	36640	31836	21998	0	26669	32118	15848	21496	14662	17008	19013	56282	30102	25745	14278	33379	22120	15578	99950	148779	129725	19973	13327	12507	12258	15332	0	15365	23972	24427	18294	32833	18394	61676	40750	19868	28067	22272	19975	38647	33469	36402	42236	42173	65043	0	36371	38376	20653	29167	20679	24254	11103	28439	27582	26416	22897	0	17898	35345	Phytochemical	0.33333334	1.1481482	0.037037037
2	C20 H35 O14 N1	514.213	514.2144	0.6379754	514.2134	3934	3529	5731	3764	2186	22054	1427	2970	1838	770	936	1871	8751	826	1567	523	3350	9474	2535	0	995	1052	1983	2748	937	0	0	1826	5319	1946	4511	4410	5315	46540	741	3764	5788	1232	3116	0	0	0	0	0	0	466	0	0	4891	1807	3807	5047	2116	0	2585	638	1134	4057	304	291	785	0	2112	1975	0	21999	2235	3484	0	0	0	38809	29525	5150	207	4174	0	2133	2047	7165	1309	0	0	0	841	1044	2255	11795	2762	3279	5351	2437	3804	1312	0	0	5785	3560	1175	755	937	2428	1933	428	460	3178	1406	0	1075	6746	Unclassified	0.7	1.75	0.05
0	C20 H35 O14 N1	514.213	514.2142	0.28034717	514.2132	3672	3838	2938	2291	3509	25163	0	4165	0	0	0	0	4525	0	0	0	0	5642	2857	0	847	0	1540	2701	0	0	0	0	5983	2075	2352	4486	5687	74675	818	4325	6515	878	2255	0	0	2301	0	0	0	0	0	0	5610	0	3437	4111	2166	0	2085	0	0	2936	0	0	0	0	3694	1421	1527	7273	3424	1809	0	0	0	48504	41317	4702	0	4384	0	1983	0	0	0	0	0	0	0	0	0	16059	3449	0	1453	0	2500	0	0	0	4822	2243	572	488	0	2298	1755	0	0	2712	0	0	0	4703	Unclassified	0.7	1.75	0.05
12	C24 H35 O11 N1	514.2283	514.2291	0.03264785	514.22833	22637	24340	27606	22022	14746	11777	25664	57646	19109	27494	19224	25981	24621	6716	34182	33830	36003	25667	32952	52383	51608	24016	33825	40631	32910	28388	20534	19813	45835	39423	34024	35064	36243	32994	48767	38179	35108	33951	29724	35739	26907	19845	0	0	587	36254	30875	0	29250	44323	26513	25443	14498	0	27621	20352	14044	37644	32938	34471	36266	21277	19304	19159	12010	19508	17174	34031	22734	34044	30174	33933	36227	40862	26103	29317	0	32284	30492	16344	28407	24307	30842	19018	23701	15519	26746	10495	20607	34290	23533	24176	39171	11804	18973	0	26652	44398	19346	15869	18278	37926	25394	45939	24638	28610	17634	0	27747	17972	Lipid	0.45833334	1.4583334	0.041666668
26	C24 H35 O11 N1	514.2283	514.22894	0.04820751	514.22833	7733	7002	9861	7593	6208	7916	2442	9173	5918	27798	6647	0	14550	4945	8214	11220	0	10759	16565	22993	23472	7324	5618	10378	0	8611	1853	4405	6141	0	9002	6905	10179	9400	26229	8282	10959	5121	3044	14124	6424	0	0	0	0	12778	11608	0	8336	7463	9278	10070	3632	0	12507	6806	4245	7605	6144	5110	7087	8498	14410	9402	0	6556	4681	0	11257	22200	11709	11697	9399	8049	0	4573	0	4595	7026	0	5052	6528	5698	4815	5543	0	3760	4376	4060	0	8220	5273	7989	2760	7455	0	9980	8395	6162	5150	0	6872	3177	5724	6292	6710	0	0	3481	13714	Lipid	0.45833334	1.4583334	0.041666668
22	C24 H35 O11 N1	514.2283	514.22894	0.007474173	514.2283	112170	105630	106045	109634	89084	101558	52285	128548	121008	215891	67759	58379	141631	50029	115803	87061	39930	184055	141283	241987	193027	111898	118952	128612	117662	83144	46502	56671	132593	0	113352	113209	103768	97192	248279	116415	129722	79144	38733	122764	54703	58810	0	0	0	186239	90613	0	104446	104382	111186	103964	75285	476	181939	88392	50057	86471	116876	28295	111496	99884	143463	109459	42510	104913	63263	34411	64374	198120	83471	119000	106638	129122	44632	84549	285	94656	75513	36940	83496	86860	65985	71523	91237	61655	66829	47717	65385	32764	97137	126441	151789	50210	87389	0	107316	117720	67970	56709	58402	98178	66911	113703	108384	97882	76606	0	64550	167611	Lipid	0.45833334	1.4583334	0.041666668
14	C24 H35 O11 N1	514.2283	514.22906	0.035637558	514.22833	82043	62490	72810	79684	43659	45590	62485	137794	50062	97542	55021	54324	71887	24451	97495	115412	81382	74046	81964	143563	122439	88102	96972	131794	82610	76915	51667	51573	118384	109713	78793	112250	86268	67029	107744	114155	70480	64350	59134	77944	64884	64367	0	472	657	113677	95678	784	84517	104151	71875	71789	47384	434	86981	49681	34339	85214	112754	62180	112416	65470	60801	55691	32619	49437	40459	59881	54718	87517	61902	87658	78244	127228	80565	83219	0	69056	76180	51064	68813	61810	61366	48780	66189	48607	65190	46220	54137	66962	65527	82809	115310	37594	76548	829	68685	105124	45344	39853	46545	108105	57288	124112	72803	70992	54763	632	55440	53446	Lipid	0.45833334	1.4583334	0.041666668
10	C24 H35 O11 N1	514.2283	514.2291	0.121101566	514.22833	14117	16164	14545	14357	7136	6700	10694	26508	9455	15584	8172	9110	11489	5575	14449	15285	10295	8632	8916	24833	24823	18240	15327	23537	13392	9356	10747	7213	17586	24156	14366	18494	22478	16133	21516	25796	15737	10423	10435	13972	13631	8245	0	0	0	19029	14069	0	15126	19469	17903	16657	7563	0	12509	6079	6518	17203	14101	9812	24152	11092	10709	7023	3724	10472	5061	13198	0	13478	10998	15550	13059	20817	12880	14091	0	10881	10763	15971	10218	8560	14144	9592	6623	5217	9336	4681	6566	13684	22602	15588	19571	8869	13168	0	12687	16912	4139	4987	5314	17344	8742	24753	0	13402	7076	0	10435	11818	Lipid	0.45833334	1.4583334	0.041666668
22	C28 H35 O8 N1	514.2435	514.2442	-0.012879149	514.2435	50081	56307	44682	43924	32291	29419	25154	45238	32172	78229	67300	28744	35594	46957	30866	52366	32660	41735	46902	93232	99181	56530	39373	54025	44635	147175	21379	73494	39259	37677	35428	41511	52373	37310	85464	38865	52694	20948	36399	80042	78404	29139	0	0	0	53298	45871	0	34460	38690	52931	47179	36184	0	30287	30834	23649	46836	29842	27542	52128	49003	28067	26816	14303	39135	35116	35553	105715	145545	157858	40109	34280	32607	28301	32700	0	23483	43653	34739	32803	30153	26287	46211	39117	19533	45642	33498	31235	44468	62438	64977	76278	39035	56472	0	43900	43267	25867	30683	29180	53721	22475	52411	29902	46230	25837	0	33345	36548	Phytochemical	0.2857143	1.25	0.035714287
18	C28 H35 O8 N1	514.2435	514.24426	-0.028498037	514.2435	25938	27122	21267	20635	13809	10629	15488	14577	6732	35952	27341	13845	8769	9251	17101	19295	22057	10233	18298	51054	41990	25358	13623	33970	16174	54083	13518	29342	16857	12391	14583	16125	27468	13788	33167	17209	23654	12704	24157	37852	33798	12906	0	0	0	19689	23547	0	21928	21218	22725	19478	8081	0	14448	5836	7287	27361	9065	19491	24493	17275	6327	12737	9319	12332	14655	27749	45572	54001	62451	14661	15359	15644	16759	18117	0	9662	16635	17543	15577	11705	13873	26481	8029	10594	27609	9383	14354	31881	23948	23022	35011	16345	19762	0	20782	22270	11135	7885	9946	19757	10088	21792	8325	18737	6725	0	22087	10517	Phytochemical	0.2857143	1.25	0.035714287
24	C28 H35 O8 N1	514.2435	514.2442	0.003621047	514.2435	37134	29390	34129	30945	31273	23463	9827	26476	26793	60965	63817	13527	28441	30006	23319	35908	20561	32160	44718	75508	82668	36636	28909	32066	15983	118871	8532	54761	21830	22790	22553	23439	31023	24970	62651	23990	31342	14964	21150	66173	52982	20013	0	0	0	39691	35778	0	31426	22885	30156	33752	19918	0	26553	30035	15415	31621	22442	18065	36262	43700	25881	26654	9130	32975	23432	18739	95892	136304	132750	26626	23127	19115	14477	21469	0	19620	26869	22720	19370	26572	19482	44651	31888	17378	27504	19396	22228	30581	40603	41811	53733	26360	35186	0	28616	24182	18879	23823	28280	36186	14437	43004	24738	36450	19875	0	19995	31473	Phytochemical	0.2857143	1.25	0.035714287
26	C28 H35 O8 N1	514.2435	514.2442	0.013288556	514.2435	14186	9469	10855	10894	14569	8341	3675	7299	8532	21876	25448	7320	12452	8539	6571	13378	0	0	8069	27552	30441	9808	8315	10279	6104	59681	2491	21728	7076	6908	10907	7267	10741	9329	22930	8254	13483	7708	5036	21715	22332	6878	0	0	0	15599	11249	0	9022	8773	10391	7962	11135	0	7581	11137	3426	10383	7926	3545	11282	12216	11652	10236	4350	12377	8946	9706	48973	51429	62566	8748	7437	0	0	7635	0	3898	11050	9980	9121	5487	6162	18025	12346	0	12580	9049	6017	10221	10586	8154	12483	9846	10827	0	9595	10787	5372	10811	16343	10635	4160	11043	0	7090	8387	0	6141	9156	Phytochemical	0.2857143	1.25	0.035714287
12	C28 H35 O8 N1	514.2435	514.2444	0.102566235	514.2436	2244	3195	4406	3514	1265	2763	0	2568	0	8461	5096	1514	1550	997	1109	5452	2815	1710	2718	15024	15264	0	0	3812	3571	15759	0	0	2543	2257	2352	4997	5118	2258	15436	3084	2783	3550	3465	11652	5261	1802	0	841	0	3016	3592	0	2704	1897	5198	2239	1414	0	0	1374	1114	2765	0	0	0	2564	0	0	0	0	1332	7195	0	23410	19347	2701	3409	1673	2031	2740	0	1710	1842	0	1746	1233	0	5485	0	0	2501	1942	957	5755	4259	2167	6969	3974	10420	0	1932	3708	0	0	0	3093	2250	3503	0	2361	1272	0	3782	1507	Phytochemical	0.2857143	1.25	0.035714287
28	C28 H35 O8 N1	514.2435	514.24414	0.004255213	514.2435	2962	2967	3245	2178	2796	1181	0	3050	2482	4248	4767	883	4503	2307	0	3007	2996	0	3036	3447	5414	2092	0	3372	0	14757	0	4958	0	0	0	2145	2572	2154	3984	0	1625	1270	3005	5210	5463	0	0	0	0	2713	2839	0	2727	0	2374	3109	2048	0	3704	3786	0	1649	2447	1819	3646	2198	2011	1779	924	2513	1684	2044	11211	15395	20649	2967	1209	0	0	0	0	1990	2347	0	1508	2036	1497	2161	6802	0	4095	1795	2168	2766	1881	2274	2713	1471	0	0	2919	2623	0	10830	11172	2219	962	2915	0	2801	3836	0	1821	2005	Phytochemical	0.2857143	1.25	0.035714287
4	C22 H35 O9 N5	514.25073	514.25195	0.2922942	514.2509	0	761	0	599	549	1477	369	0	0	0	0	512	625	0	399	0	0	0	0	0	0	0	0	1021	457	0	0	0	0	1152	434	894	0	678	0	669	1035	531	0	0	0	0	0	0	0	0	0	0	0	0	617	960	0	0	0	0	0	1235	0	0	960	0	384	0	0	476	0	979	0	0	0	768	772	594	0	333	0	0	727	11416	593	0	0	0	0	283	873	0	0	0	20393	5622	1050	873	0	0	0	717	0	560	1107	1088	0	0	0	561	0	0	500	0	Peptide	0.4090909	1.5909091	0.22727273
6	C22 H35 O9 N5	514.25073	514.2514	0.25320652	514.25085	973	2260	1422	1302	0	752	1044	1946	0	0	0	898	668	0	1187	19216	0	642	1297	0	0	0	0	1085	1081	0	0	3345	928	2338	1287	1334	2086	1879	0	1305	2163	690	2026	0	0	473	0	0	0	0	0	0	3287	1498	1000	0	0	0	1018	0	336	18499	0	0	14024	0	0	0	0	1252	0	2693	0	0	0	1204	684	1962	0	1295	0	1204	0	11200	554	0	0	0	0	0	758	0	0	1708	24781	8876	7129	789	0	0	1387	1060	0	0	437	2561	0	0	0	20011	855	0	619	807	Peptide	0.4090909	1.5909091	0.22727273
14	C25 H39 O10 N1	514.26465	514.26544	0.03062838	514.2647	15183	10435	12129	13645	4824	4963	14375	22027	7090	6490	7764	14870	10174	2391	14742	15709	18896	7142	9488	17184	13128	4696	11887	21874	18123	11657	23193	0	27232	20923	14725	18358	18259	10668	9388	24874	11179	12694	15077	4862	5817	9043	0	0	0	12673	6114	0	22134	23423	12870	11535	4439	0	8942	5750	4784	14680	11703	8494	18660	4461	4371	8864	8185	5143	7819	14905	0	11874	3841	14823	15464	27654	25531	22920	0	14372	10768	0	10805	7035	8624	3458	10615	7199	11197	7367	10714	13607	9118	10490	18545	3157	7328	0	12088	16032	4483	4121	5064	18240	11544	23096	0	9170	5860	0	11755	5249	Lipid	0.4	1.56	0.04
26	C25 H39 O10 N1	514.26465	514.26526	-0.021568637	514.26465	7606	5523	7705	7672	7007	7125	4422	0	8534	19331	4788	0	17763	4821	6734	6791	0	13156	16998	17675	15546	8454	5437	8957	7534	0	3139	2471	7533	5655	9316	5201	11228	7645	19761	9206	16300	6565	0	8964	2655	0	0	0	0	9373	0	0	7521	6348	7124	5801	6385	0	11983	0	0	6578	5964	0	8676	4747	13854	9355	2240	11760	7568	3032	0	21699	6344	8808	7860	0	0	5668	0	5038	6496	0	4817	0	6833	2433	8620	0	6548	4266	3293	2616	11162	12846	11078	2248	5285	0	6336	7222	4062	6075	6919	6850	2768	7597	0	6039	5811	0	3451	19865	Lipid	0.4	1.56	0.04
16	C25 H39 O10 N1	514.26465	514.26544	0.017358117	514.2647	28309	29045	28230	30868	14154	16624	33158	52006	18498	28391	15958	26714	26443	9463	42632	53592	41841	23942	40999	40942	31836	19383	46011	55391	35809	22649	30962	16006	47934	48232	44412	38926	42426	30958	26099	53044	32096	30110	34795	22231	16626	25430	0	0	0	30383	23762	0	51394	43839	21808	31068	22944	0	36398	26786	20078	36554	31532	21065	45658	13997	19904	20207	14829	23756	20811	33978	18723	26679	24627	35562	34063	57009	41798	46271	0	33868	37990	20123	29243	18053	33351	17950	25033	21646	33938	20210	24192	31648	33291	36304	54319	10533	18959	0	31804	36213	18583	20876	29205	46699	26856	50759	18952	35872	27900	0	30017	19566	Lipid	0.4	1.56	0.04
26	C29 H39 O7 N1	514.2799	514.2806	-0.001108386	514.2799	15732	20105	21005	19026	21119	9120	6198	21760	14961	19970	31515	9797	10808	11686	10437	23972	24337	7563	20359	37608	32645	16236	11644	24697	19098	76755	7765	35181	18318	20898	16829	18103	27086	17812	23001	24000	22952	13596	20904	28236	31550	13504	0	0	0	20983	19920	0	21018	19414	20235	18850	14984	0	16959	11449	6840	24167	15784	11808	22874	18321	9547	8810	4966	16306	17543	20621	64522	53004	59564	18308	15964	13969	0	16080	0	8701	17351	14122	12220	11422	14123	29155	19204	9852	20693	12301	15166	16591	17079	20836	27204	13982	13556	0	15069	17515	14778	22398	19055	26842	11320	31986	12820	20528	17660	0	11339	11643	Lipid	0.2413793	1.3448275	0.03448276
22	C29 H39 O7 N1	514.2799	514.2806	-0.024121549	514.2799	20689	25852	18699	22155	18608	11954	18821	30090	14086	21598	30372	13153	9916	12877	17546	29420	34882	12431	15091	42911	38520	17889	13450	29760	19702	67439	19649	32066	29964	25531	18633	23577	32968	21099	26303	25876	25959	16722	36647	27402	38534	17936	0	0	0	19188	22777	0	25977	27192	23852	22516	17114	0	15743	12844	10842	36481	15386	19415	37065	17112	10622	14192	8904	11403	13628	40161	55276	51780	68402	19218	20614	19502	22663	25048	0	17059	22249	16242	16692	13671	16878	23752	21982	14237	23854	15113	18879	37801	30407	26473	37455	16490	23922	0	20895	20192	13108	13773	14936	41751	16622	30077	9368	29469	16105	0	22404	9489	Lipid	0.2413793	1.3448275	0.03448276
18	C22 H43 O12 N1	514.2858	514.2863	-0.002996895	514.2858	0	7166	7496	5898	5944	0	6294	6108	4810	0	0	4416	1874	0	3126	0	6706	8810	0	5532	0	0	2468	3336	3518	3498	3188	5998	0	3054	4620	0	0	0	0	4444	0	6392	11674	3186	0	0	2243	1905	1460	2906	3318	2025	0	0	4814	3954	4382	1576	3516	6636	5751	4544	4042	4730	11050	0	0	6076	3338	5238	2810	12772	0	0	0	0	0	5862	14700	0	1606	2722	11168	5288	5870	0	4110	0	3552	4522	6522	2508	4628	5892	20002	11166	0	0	0	2589	0	0	2608	11344	18546	6304	0	0	3979	0	2352	2291	8252	3872	Lipid	0.54545456	1.9545455	0.045454547
10	C23 H39 O8 N5	514.2871	514.2879	0.19834863	514.28723	5955	4453	3791	5802	0	0	0	0	0	0	4517	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	65618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7528	6192	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	262381	0	0	0	0	0	0	0	0	0	0	711968	202844	0	34042	7024	0	4487	1869	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3478261	1.6956521	0.2173913
12	C23 H39 O8 N5	514.2871	514.2882	0.10491587	514.2872	0	0	0	0	0	0	0	0	0	0	3830	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26648	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1329	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	125497	0	0	0	0	0	0	0	0	0	0	166475	63213	0	10767	0	0	1917	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3478261	1.6956521	0.2173913
6	C23 H39 O8 N5	514.2871	514.28784	0.18158963	514.28723	4287	5468	4217	3549	1877	9886	0	0	0	0	2739	0	0	955	0	0	0	0	0	0	0	0	0	0	0	0	0	59259	0	0	599	0	0	0	0	0	0	0	0	0	0	572	0	0	0	0	0	0	0	0	3199	4248	0	0	0	0	2084	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	333863	0	0	0	0	0	0	0	0	0	0	350431	131579	0	28819	5069	0	2276	3361	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3478261	1.6956521	0.2173913
4	C23 H39 O8 N5	514.2871	514.288	0.2133909	514.28723	0	0	0	616	0	896	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	387	0	0	0	0	0	0	0	301	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50683	0	0	0	0	0	0	0	0	0	0	33687	5712	0	1715	0	0	0	0	0	0	0	0	0	0	0	0	279	0	0	459	Peptide	0.3478261	1.6956521	0.2173913
8	C23 H39 O8 N5	514.2871	514.28796	0.15008603	514.28723	8872	8838	8267	8826	1029	5051	0	0	946	0	11989	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	90649	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9884	7642	0	0	5908	681	927	0	0	0	0	0	0	1350	2292	0	1342	0	0	0	0	0	0	0	0	0	0	0	0	531875	0	0	0	0	4267	0	0	0	0	0	894833	343265	0	52377	11330	0	6490	7801	0	0	0	0	0	0	0	0	2075	0	0	0	Peptide	0.3478261	1.6956521	0.2173913
26	C31 H40 O4 N1 Na1	514.2928	514.29346	-0.001109942	514.2928	0	0	0	0	0	0	0	0	0	0	0	11481	0	0	23730	0	38012	0	0	0	0	0	0	0	0	0	5187	0	0	0	0	0	0	0	0	0	0	46623	53458	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18067	0	0	0	0	0	0	6632	0	0	12812	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4911	0	0	0	38383	0	0	0	0	0	7218	0	Phytochemical	0.12903225	1.2903225	0.032258064
20	C26 H43 O9 N1	514.3011	514.30176	0.034006894	514.3011	15937	16112	17264	15259	11416	6758	26535	29085	10278	6848	4901	16627	14122	9830	22768	27416	28202	14133	21104	15393	6635	8397	16676	15975	19897	8240	27054	7857	32142	29813	24651	31516	36581	21526	8653	35497	29914	16144	25770	0	1768	11736	0	0	0	8149	4271	0	30719	22076	17971	17304	16315	0	20944	10392	7831	21054	10442	6256	22335	4490	10799	13001	10230	14114	10346	32376	3485	9570	2568	21602	32081	39139	29840	32124	0	18017	8275	4787	11624	4272	29765	16052	17556	10315	20745	10764	11574	8162	20769	12790	15353	0	4609	0	16657	15343	6659	14724	19695	35535	17324	15848	3200	20715	12439	0	13280	12823	Lipid	0.34615386	1.6538461	0.038461536
26	C26 H43 O9 N1	514.3011	514.30164	-0.05222039	514.301	8105	8944	7828	11957	9446	11064	10410	6318	8676	8924	4920	4111	15591	10207	10188	0	0	14649	23814	17439	5473	6497	6761	11208	10873	0	9184	5382	10382	8893	11328	11048	17592	12158	15751	13693	22077	4157	3061	7333	0	6469	0	0	0	0	0	0	10738	0	9433	7877	5703	0	17814	8694	0	10568	12423	0	10000	4983	17455	10215	4394	11604	16328	3275	0	8501	1825	7923	10298	11725	0	7169	0	9897	4915	0	3668	2838	9751	6016	8499	7612	13214	3367	6901	5489	19736	25583	16104	4008	6638	0	12851	9253	4247	5022	4452	10189	3160	11272	16066	8195	4913	0	5289	15092	Lipid	0.34615386	1.6538461	0.038461536
26	C30 H43 O6 N1	514.3163	514.31696	-0.06763956	514.3163	10471	10394	10034	9157	13499	5461	5357	17059	4939	3030	11599	6826	3860	4440	7539	18716	13746	0	8351	8707	6629	4979	4873	9854	10619	35026	6217	16041	12880	14629	11862	13177	16932	12545	5391	17511	15183	6655	14999	8193	12485	7254	0	0	0	8578	6965	0	13870	12946	10008	7894	7775	0	8102	5811	4941	13948	7755	9526	12693	5012	2919	5259	4190	6602	10412	18220	30161	12328	16809	7318	8241	18363	10283	12134	0	6583	12131	10686	5920	4305	9484	11247	14462	6924	18255	7757	8437	16891	10308	12425	9560	8386	0	0	9301	5691	5351	12722	14246	19428	6889	16877	0	10219	12126	0	10396	5690	Lipid	0.2	1.4333333	0.03333333
22	C23 H47 O11 N1	514.3222	514.3231	-0.15324768	514.3221	0	0	0	0	1506	0	0	0	0	0	0	0	2868	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3253	3065	0	1471	0	0	0	0	0	0	0	0	1463	0	0	3341	0	1036	0	0	0	1641	2086	23669	21879	30536	0	0	0	0	0	0	0	0	0	1768	0	0	0	0	0	0	0	0	7756	0	1944	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19062	0	0	0	0	0	Lipid	0.47826087	2.0434783	0.04347826
16	C23 H47 O11 N1	514.3222	514.3232	-0.021936608	514.3222	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2100	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	432	366	0	0	3825	0	0	0	0	0	0	401	0	0	0	0	18166	0	0	0	0	0	0	0	0	0	0	0	2178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3908	69765	0	0	331	0	0	Lipid	0.47826087	2.0434783	0.04347826
10	C24 H43 O7 N5	514.32355	514.32404	0.3868824	514.3237	1244	1365	1956	0	0	1306	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23745	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	140043	0	0	0	0	0	0	0	0	0	0	245794	43718	0	10656	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.7916666	0.20833333
24	C27 H47 O8 N1	514.33746	514.3381	0.008091955	514.33746	2440	2582	4186	2306	3346	3148	63317	3559	1317	0	0	1068	2319	3882	1705	2520	2464	3928	2382	0	0	0	0	1212	3457	3522	41662	2338	5006	3537	2424	5756	8850	4091	0	5319	3609	1796	2820	1391	1419	2841	0	0	0	0	0	0	3944	3380	4046	1369	2735	0	3678	3522	1099	2443	1028	3414	2508	0	3395	3171	3156	5991	4484	2963	0	2237	1214	2365	1995	4510	3403	3677	0	1219	1638	1744	0	1286	23092	13271	2110	0	3533	3287	1658	0	6997	6841	2973	0	1842	0	2865	3525	0	1656	2510	3781	1667	3105	4586	3011	1654	0	0	6790	Lipid	0.2962963	1.7407408	0.037037037
26	C27 H47 O8 N1	514.33746	514.3378	0.014137692	514.33746	3153	3107	2582	3224	2936	0	48556	0	0	0	0	0	4143	6763	0	0	0	0	0	0	0	0	0	0	0	0	31760	3767	6001	0	2290	0	5769	5052	2403	0	6166	0	0	0	0	0	0	0	0	0	0	0	3740	0	0	2203	0	0	5232	0	0	3927	8190	0	0	0	4206	2639	3270	6086	7452	0	0	0	0	3135	2946	0	0	2972	0	0	0	0	0	0	12657	7338	0	0	5000	0	0	0	8865	7918	4615	2095	0	0	2497	0	0	0	0	0	0	0	10540	3030	0	0	2927	5234	Lipid	0.2962963	1.7407408	0.037037037
20	C26 H47 O7 N3	514.3487	514.3495	0.55548084	514.34894	0	0	0	0	0	0	0	1843	0	0	0	0	0	1934	2037	2752	3690	0	0	0	0	0	0	0	11302	0	0	0	2290	1503	0	0	0	0	0	0	0	1840	0	0	0	0	873	0	0	0	0	0	0	4188	1500	2361	0	0	0	0	0	1591	0	0	1519	0	0	0	0	0	0	7690	0	0	0	2651	2453	1386	2539	1462	0	0	189962	15699	2330	0	0	0	0	8154	11610	0	0	6278	0	0	5612	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12784	0	Lipid	0.26923078	1.8076923	0.115384616
22	C24 H51 O10 N1	514.3586	514.35925	-0.011890499	514.3586	13925	14293	15951	11544	5958	13943	0	0	2105	8608	5127	0	35719	25912	0	0	8492	0	1733	0	1737	0	0	0	2010	2463	1716	7884	0	0	0	0	0	3035	1908	1167	0	0	10354	0	0	15080	16056	0	0	2455	1783	0	0	0	12638	15906	6202	81489	2882	0	15300	3032	0	0	0	0	13123	4506	81458	360477	846965	17824	0	2732	0	0	0	1380	1459	0	388	0	0	18969	0	25854	0	0	3554	14349	0	6724	4596	0	43080	26109	0	0	5312	0	12776	8608	4394	0	3991	0	0	1237	22600	0	2764	0	0	5054	Lipid	0.41666666	2.125	0.041666668
24	C24 H51 O10 N1	514.3586	514.35925	-0.23993713	514.35846	1695	0	0	0	0	0	1545	0	0	19008	4566	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4675	1581	0	0	0	0	0	0	0	0	0	0	872	0	4295	3217	0	0	0	0	0	7892	0	0	0	0	0	0	0	0	0	0	0	19702	0	1138	12469	0	0	0	2319	2504	1703	0	0	0	0	0	0	0	0	15148	0	2198	3674	2759	1845	1423	1802	2181	0	2069	0	0	10160	0	0	0	2068	0	0	1188	0	0	2256	4010	0	0	0	95502	0	0	0	2566	0	Lipid	0.41666666	2.125	0.041666668
26	C28 H51 O7 N1	514.37384	514.37335	0.053200062	514.37384	0	0	0	0	0	0	42900	0	0	0	0	0	0	3019	0	0	0	0	0	0	0	0	0	0	0	0	30972	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3957	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2248	0	0	0	0	0	0	3104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.8214285	0.035714287
26	C24 H18 O13	515.08203	515.0827	0.14099039	515.0821	7873	9674	8114	6580	17250	7628	1563	0	18960	14008	2759	0	32480	6699	0	0	0	28705	19367	7435	9265	19898	0	0	0	0	0	0	0	0	0	0	1852	0	17276	0	2702	2990	0	3277	3272	0	0	0	0	5600	7355	0	0	0	6147	9215	11010	0	23770	20147	5517	0	0	0	0	0	36322	22422	6555	19762	4330	0	0	3164	3740	0	0	0	0	0	0	0	12862	0	12690	5978	0	2328	22075	10299	6990	3049	4031	1805	2019	1902	0	17023	28136	0	7900	8978	11807	22802	18629	0	0	0	6311	1309	17984	0	2793	36470	Phytochemical	0.5416667	0.75	0.0
14	C24 H18 O13	515.08203	515.08295	0.115148745	515.0821	6604	6112	10567	4280	11149	6491	0	0	16284	17861	9153	0	19217	4012	1226	2676	0	10397	12877	7259	11912	25840	2925	0	0	1442	1957	0	0	0	0	0	0	0	27753	0	0	0	0	2031	9151	1442	0	0	0	5310	19250	0	0	0	5429	7846	5788	0	14200	19241	5878	0	0	0	0	3431	37353	14369	6826	21580	3357	0	0	4112	8051	0	0	0	1588	0	0	0	6309	0	6184	12494	0	0	24681	6259	6692	3819	5205	0	0	0	0	31445	18782	0	4570	5555	16594	33429	21954	1856	0	1853	0	0	13768	0	1981	23166	Phytochemical	0.5416667	0.75	0.0
22	C24 H18 O13	515.08203	515.08276	0.16022295	515.0821	14753	15273	13136	11737	33158	15851	0	1337	33475	24551	8104	2042	43963	10988	5912	4770	0	33290	28501	7401	13777	36523	9008	2372	4396	4069	2603	1397	0	0	0	0	3366	1448	27257	1398	2655	4617	1111	4939	7262	2408	0	0	0	15330	16089	0	0	1083	15157	13265	17458	0	29624	23902	11943	1436	2991	1781	2731	11443	49668	31922	8716	35979	9839	0	3174	4766	4877	1135	0	0	0	0	376	2427	18113	16110	13405	17585	2217	4415	42387	18987	16028	6625	3052	3438	3367	4709	5324	33084	39443	0	11985	15582	24701	35651	35502	3249	3041	2314	15678	1716	29875	0	4992	55163	Phytochemical	0.5416667	0.75	0.0
24	C24 H18 O13	515.08203	515.0827	0.15067059	515.0821	9755	10354	7596	10049	16284	11961	0	0	23335	14623	4403	0	41573	12721	3304	2558	0	35637	21007	8730	5885	19423	6481	1903	3662	1523	2447	2132	0	0	0	1027	1470	987	21179	0	3635	3218	0	5378	5402	2358	0	0	0	11056	16851	0	1562	0	10637	9129	14911	0	24730	23657	8057	2015	2095	1587	1150	3248	46034	20720	4214	29202	6263	1826	3521	3723	6279	0	0	0	0	0	0	0	13580	15899	13970	8989	1204	2046	37301	13176	6328	3090	5789	1811	1915	2459	1917	23145	35776	0	7658	6607	17087	23221	23251	1451	0	2061	9975	1119	17830	0	2325	47638	Phytochemical	0.5416667	0.75	0.0
20	C24 H18 O13	515.08203	515.08276	0.1247535	515.0821	20037	16365	20258	16575	36165	19058	2786	0	38667	29382	9053	3292	64698	14430	7297	2476	1600	41466	32254	14657	19192	42516	10698	0	4184	2749	2926	3147	0	0	0	0	6840	0	45006	0	3329	7676	0	11404	10367	5483	1148	0	0	23539	27146	1155	0	0	16595	17365	21069	0	43472	35322	18200	3313	4132	3906	4495	13133	68721	36210	11400	38953	10452	2249	4900	5749	6295	0	0	0	0	0	0	3298	24938	27991	15318	19334	2504	8435	45880	19822	19676	7854	10651	3608	5577	4957	3952	47627	42233	0	16121	19084	32333	52913	42832	1774	2009	6262	23153	2784	33006	0	3023	62769	Phytochemical	0.5416667	0.75	0.0
28	C24 H18 O13	515.08203	515.08276	0.17836218	515.0821	6314	7814	7082	6129	16550	8524	1169	0	15212	12073	3186	2347	34053	6247	3194	0	0	22923	17891	6674	6645	11291	5590	0	2996	0	997	0	0	0	0	0	1361	0	15287	0	1996	2209	0	2948	3041	0	0	0	0	5185	6754	0	0	0	5756	5543	9866	0	21524	15758	3604	1639	1305	1076	0	3086	34014	13828	4696	15718	3718	1750	3266	3100	5455	0	0	0	0	0	0	0	10719	8542	7918	2925	1085	2317	19410	7973	6029	3874	3436	1474	1251	2626	0	15600	17871	0	8132	8144	12134	16385	18818	2407	0	0	4478	0	12581	0	0	29688	Phytochemical	0.5416667	0.75	0.0
18	C24 H18 O13	515.08203	515.08276	0.10242053	515.0821	16102	18835	12505	19626	44100	16192	3946	1848	37853	36989	18033	1637	69113	11625	5384	4267	2428	40616	33934	16531	22375	51893	8733	1995	2209	3719	2595	3064	0	0	1859	0	5960	0	47107	0	3892	6380	1656	9942	15308	7254	525	0	0	23998	38303	508	0	1835	17019	18817	20870	0	38370	35901	16879	2882	3544	3889	2781	9357	75951	33502	12182	46944	13465	2759	5814	6327	8304	0	0	0	0	0	0	1674	20390	30517	18064	32654	1762	6671	50335	22851	15571	9022	10414	4882	4643	4517	2591	61584	50506	0	19161	15165	36915	49456	43872	0	3275	2984	21248	2185	34892	0	3908	61932	Phytochemical	0.5416667	0.75	0.0
20	C21 H22 O15	515.10315	515.104	0.12511861	515.1032	6364	2665	8546	8175	11948	4353	0	0	4517	33924	14956	0	14151	0	1398	0	0	6948	4127	16740	12153	18888	1484	0	1641	12287	0	3413	0	1319	0	0	1518	1638	29956	0	0	1439	1668	6151	5048	1135	0	0	0	8945	21171	0	0	0	4124	7320	2635	0	5486	3719	1762	0	2623	1715	0	8613	13955	6253	2121	7330	6089	1250	9496	21822	19245	0	0	0	0	0	0	1055	0	16346	1237	15513	1597	0	6575	2602	1830	1732	3383	2134	3613	5815	0	28616	58628	0	2055	3059	5618	4527	7164	0	1787	2972	20449	0	5644	0	0	10857	Phytochemical	0.71428573	1.0476191	0.0
12	C21 H22 O15	515.10315	515.1041	0.3309879	515.10333	18252	15009	23853	13996	50634	21348	0	0	62048	10344	8931	14586	102399	8898	6399	7101	7302	45147	52821	1877	19786	73071	14109	0	3753	0	0	0	0	3504	5673	0	9435	6663	18995	4191	0	14042	10134	12942	20856	16134	0	0	0	25214	86539	0	4923	0	16905	21528	22259	0	53480	63705	19712	4773	0	0	0	14103	129835	58114	19458	60902	24808	0	0	0	5994	6462	3990	0	6625	3477	0	3948	14541	0	18479	39747	0	3975	60167	16465	20871	21190	19541	0	0	7617	13065	70953	23025	0	25598	15768	61272	69248	69206	8313	6948	0	0	7734	38902	0	5466	113973	Phytochemical	0.71428573	1.0476191	0.0
28	C25 H22 O12	515.1184	515.1191	0.10692104	515.11847	8129	3754	5795	5702	11070	6164	933	0	12619	17091	3826	0	19053	7576	2560	2344	0	14954	11740	8106	10406	14058	3561	0	0	4089	963	2008	0	0	0	0	1753	0	20201	0	1414	1959	0	6043	5153	0	0	0	0	7626	6066	0	0	0	5645	6133	7447	0	14419	10426	4093	1289	1353	0	2068	3969	19061	9566	3580	12311	2790	950	5215	11411	10606	0	0	0	0	0	0	1291	7170	6070	5480	6327	0	3470	14471	6231	6230	1609	1872	1264	2470	3927	2674	11389	18744	0	6021	5099	9448	10923	14173	0	1263	0	3462	1903	9979	0	1850	18138	Phytochemical	0.48	0.88	0.0
18	C25 H22 O12	515.1184	515.11914	0.067546315	515.1184	48751	48764	53591	46707	60890	44463	13775	12888	74095	176798	77636	7890	112499	36825	13773	13021	8630	75118	83016	95401	87839	115879	25051	10268	14111	39638	13062	45310	7854	6033	9699	7620	18617	6331	215536	5016	21225	14643	6408	68683	40379	21409	1200	0	0	90800	88308	0	8715	5665	55475	52657	37500	0	79539	58637	34599	13997	16224	7078	13126	44563	132912	65975	22913	72726	31740	8208	41584	73123	66905	9596	3018	2753	3925	5392	0	11150	47214	69649	32102	86490	13188	38279	78616	51009	31446	19874	27143	13274	18901	37238	23249	100373	149592	0	51790	42618	76761	71251	72343	11218	12435	17396	59021	13435	51502	0	17105	97298	Phytochemical	0.48	0.88	0.0
12	C25 H22 O12	515.1184	515.1192	0.01534075	515.1184	10476	11482	11580	12095	8512	4521	3752	3088	13574	37571	26925	3367	12012	4568	4670	3354	0	10223	11999	20368	24501	30819	5376	3881	1267	10421	3456	8528	1572	1577	2791	2347	4036	1449	52730	3353	4562	3848	3402	12490	23664	2685	0	0	0	16279	26788	0	2922	2995	10109	14364	4842	0	9550	9893	5097	0	0	0	0	10381	24290	12430	4423	14898	5326	0	28054	20021	27033	2137	1789	1324	2934	2028	0	2621	9042	0	8750	15726	2589	7331	15633	5039	4281	4810	4125	6922	3695	6608	6358	17260	23133	0	12364	10857	16172	16678	15666	4499	2472	4650	0	4288	11786	0	2794	11983	Phytochemical	0.48	0.88	0.0
26	C25 H22 O12	515.1184	515.11914	0.0845262	515.11847	10296	7258	7858	7985	13985	9225	0	0	19217	32542	6767	0	30467	6640	0	0	0	28653	16845	15192	17006	22016	0	0	0	5261	0	2747	0	0	0	0	2061	0	33366	0	2608	2587	0	8839	3989	0	0	0	0	7751	17076	0	0	0	10977	9595	9974	0	20126	14909	5202	0	2555	0	0	5937	28664	14727	4468	20931	3772	0	7009	14402	13688	0	0	0	0	0	0	0	9621	10401	7057	10615	0	5485	20988	10514	7001	0	2616	2315	2344	3585	0	18430	31327	0	9878	5360	10391	17390	13833	0	0	0	12150	1811	10866	0	3352	27354	Phytochemical	0.48	0.88	0.0
16	C25 H22 O12	515.1184	515.1192	0.1005889	515.11847	42510	42923	39122	34726	47452	28558	8456	6592	60033	143735	69275	8214	65848	28014	17193	16658	7197	52888	57514	81601	84552	99565	19074	14564	10419	42242	10624	32516	9168	6412	7898	4596	12066	5602	193450	3868	15127	15750	7382	47513	45648	11400	701	0	0	63339	85891	0	11544	7589	41064	39693	26088	0	59807	49963	21392	14691	13275	9874	15513	32752	92165	44279	20363	56343	19718	10172	40325	58443	63741	7110	4763	3778	7174	7732	0	8757	33859	61540	27536	66917	12663	29805	63658	28361	30913	16326	15194	0	17561	20180	0	90933	105201	0	40904	35069	51523	54073	57608	10449	9496	12274	45121	14234	46433	0	8372	80810	Phytochemical	0.48	0.88	0.0
14	C25 H22 O12	515.1184	515.1192	0.09480653	515.11847	27710	26276	16878	26373	24686	18476	8655	1744	35891	96730	52692	6478	34809	14595	6830	7045	3050	25868	29189	39938	52070	55108	12826	16086	5742	24429	8280	30144	3939	3871	4259	0	7949	3935	114390	3120	8483	8813	5853	27996	29842	8160	0	0	0	33190	60988	0	5812	4272	26125	19483	14189	0	28079	23036	13281	10410	9091	7855	0	19215	49251	22097	10473	30784	12685	6146	34525	28147	39495	4026	2348	2367	0	6120	0	3990	20440	38606	15564	42209	7323	15469	34400	14392	15813	8484	9948	7745	5759	12093	11682	60793	61670	0	20243	18413	28642	35696	31107	7343	3717	8503	47785	5704	24072	0	9333	32766	Phytochemical	0.48	0.88	0.0
22	C25 H22 O12	515.1184	515.1191	0.097475655	515.11847	25823	20992	24656	22257	49078	25516	5149	3588	52403	81325	31706	2247	61348	27616	8767	6691	2220	62298	41180	44219	47265	59986	11475	7954	7965	21701	5228	17222	3752	1459	3220	4873	6458	2160	96147	1761	10039	10332	4290	24440	17961	7562	0	0	0	37554	49845	0	2799	1927	26912	30359	26014	0	44800	35206	18131	6326	7308	3228	5908	20567	74249	42378	17251	37109	14881	4669	22346	35454	33420	2627	0	0	3137	1703	405	6842	25061	28746	20073	37455	4327	23937	49785	23510	20348	9786	8590	5251	12828	13611	4262	57676	68106	0	22261	19932	35302	45196	43289	8248	2280	6597	33151	0	32115	0	7378	66320	Phytochemical	0.48	0.88	0.0
20	C25 H22 O12	515.1184	515.11914	0.099968866	515.11847	38158	36825	41346	39020	56483	38255	11503	7437	74550	128843	52777	7350	97142	31395	14521	9868	3721	77550	77825	78141	78124	96951	19911	12467	12943	32887	10210	30625	7120	3663	5041	3156	11021	3595	174371	3737	16143	13634	6105	48373	32583	11918	2071	0	0	74602	75043	0	6887	4639	38695	42418	40038	386	68318	57742	26970	14010	12025	9583	9127	33111	97448	60444	21482	73478	25783	2972	32976	67760	56442	6171	4814	0	4772	5930	0	7860	34449	49356	31261	63182	10068	28668	71676	39777	30165	12113	24195	8146	21011	17965	13189	83979	105765	0	42530	33292	63683	65377	61306	14257	7965	10833	52242	9954	48577	0	11664	100595	Phytochemical	0.48	0.88	0.0
16	C24 H22 O11 N2	515.12964	515.13043	0.15201429	515.1297	15045	17004	9917	12221	16437	9138	3523	2448	18392	48676	17098	3352	23210	5589	5372	6817	4877	18127	23293	25443	31893	35394	4930	6221	2651	6089	5118	9419	3180	1924	5468	0	7040	2658	55734	1846	6447	2726	8296	32845	36718	5918	256	0	0	28603	38773	0	4639	2977	13987	15041	12526	0	19401	11333	6022	10783	3051	3945	0	21096	31563	17152	4865	19362	6365	3208	12082	20143	19069	3792	2171	3137	2419	3053	0	1854	14518	29102	6651	26534	2550	15163	12099	8677	10002	7123	4800	0	7528	14297	0	36902	47202	0	8900	14667	9104	15685	19162	4375	3174	5791	19651	0	12415	0	6782	30064	Phytochemical	0.45833334	0.9166667	0.083333336
16	C21 H26 O11 N2 S1	515.133	515.13367	0.31265894	515.1332	15045	17004	11921	12221	16437	9138	3523	2448	19973	53572	18355	3352	23210	5589	5372	8805	4877	18127	23293	25443	31893	40723	6581	7692	2651	6089	6737	9419	3180	1924	6965	0	10858	5473	55734	1846	6447	2726	8296	35308	39289	7523	256	0	0	31735	38773	0	9858	4120	13987	15041	12526	0	19401	13247	6022	10783	3051	3945	0	21096	31563	18458	4865	19362	6365	3208	12082	20143	19069	5149	2171	3137	2419	3053	0	3975	17392	29102	6651	26534	4875	15163	12099	8677	12590	8855	6802	0	7528	20622	0	38994	47202	0	8900	14667	11513	15685	21121	6006	3174	8213	19651	0	12415	0	8689	35785	Organosulfur	0.52380955	1.2380953	0.0952381
24	C17 H31 O14 S1 Na1	515.1405	515.1413	-0.001277116	515.1405	19336	10745	7149	6818	9514	2647	0	0	6194	37137	42892	1804	8542	4100	0	0	3216	20575	11674	42127	17906	19750	0	0	0	39034	0	41572	1197	0	0	2237	1912	0	78908	0	4293	748	2270	23202	20088	0	0	0	0	24790	20548	0	0	0	8342	8792	7282	0	7468	6384	0	0	1820	0	0	20442	6478	4542	0	8336	6962	0	47744	46086	47426	2042	1329	0	0	2006	0	994	6409	30096	2320	7874	3073	23688	3286	0	5389	2294	4050	0	13036	10993	6114	16448	50696	0	7917	6526	4210	4976	0	0	0	5606	10229	4000	7326	0	2744	10058	Organosulfur	0.8235294	1.8235294	0.0
0	C20 H26 O10 N4 S1	515.1442	515.1455	0.5563374	515.14453	3478	5390	2690	2845	0	19298	0	5017	0	0	0	24995	0	0	5814	0	0	0	0	0	0	0	1840	0	0	0	0	0	2846	0	8734	4177	1383	0	0	4165	2750	2420	0	0	0	3818	0	0	0	0	0	0	0	0	4734	4728	0	0	290	0	0	4082	0	0	0	0	0	0	0	2643	0	0	0	0	0	0	0	2971	0	8974	0	16924	0	0	0	0	0	0	668	0	979	0	0	1732	0	0	0	0	0	0	5361	2931	652	0	4746	4132	29349	0	0	3281	471	0	0	0	Peptide	0.5	1.3	0.2
12	C21 H26 O13 N2	515.15076	515.1517	0.22812097	515.1509	14048	13087	15172	10731	7499	5655	6434	16515	13897	6616	0	11504	17963	2004	12389	10056	9741	15702	17667	15709	11896	27297	16852	12458	5035	0	5715	0	10953	7631	13134	8886	13399	13506	14922	11911	12310	10416	11856	14220	15095	10076	0	0	0	24245	30211	0	14361	14690	15044	12103	8344	0	21894	9212	7205	13769	16045	11733	0	12182	24474	21797	6363	13563	6585	12638	0	0	3967	9923	12188	10645	9778	7531	0	10919	12417	0	9772	14921	5937	4047	10418	8444	7648	8237	10456	12061	4819	14473	26817	10228	7876	0	9417	12160	6856	7936	6016	14825	11027	10521	22047	18315	8049	0	7461	22536	Phytochemical	0.61904764	1.2380953	0.0952381
10	C21 H26 O13 N2	515.15076	515.1517	0.23881437	515.1509	14806	11435	9783	7863	6201	7455	7230	8377	12692	10874	6047	11819	16841	1859	10056	7287	11412	13405	11037	7266	13598	19380	12849	16692	4028	0	5541	0	9111	8416	8255	10088	16351	6594	11926	7217	14047	9318	11106	10416	15157	6969	0	0	0	11425	23274	0	8770	10670	11187	10404	7737	0	14248	8832	6316	8437	8104	7811	10771	7460	20146	12594	3739	13170	11489	14413	0	0	0	11264	9791	8194	8494	6713	0	9383	9644	0	9455	8709	3999	3930	9050	5375	11419	6761	11857	12032	7559	13834	21816	14369	9663	0	12892	11475	5117	9294	7730	13503	9612	9527	0	12297	8264	0	3220	22476	Phytochemical	0.61904764	1.2380953	0.0952381
26	C26 H26 O11	515.1548	515.1554	0.14127344	515.15485	11244	14551	12667	11260	22180	12437	0	0	26733	44250	16282	0	36944	11556	0	5718	0	27675	23156	29285	30458	20438	7955	0	0	27555	2288	9426	0	0	3815	0	3622	3524	58496	0	5162	5422	0	18302	14879	0	0	0	0	17176	18745	0	2361	0	14421	14000	10996	0	25851	24888	10071	4020	5076	0	0	12685	34606	20829	6625	25928	8753	0	24484	49263	45345	3301	0	0	0	0	0	2722	10954	14248	14787	12245	3054	14204	26763	12716	9385	4519	5165	4938	6245	5068	0	17003	32424	0	12058	14722	23472	25645	21686	0	0	0	13335	3530	19043	0	5189	36365	Phytochemical	0.42307693	1.0	0.0
12	C26 H26 O11	515.1548	515.1556	0.057141684	515.15485	17606	13973	18074	15482	9415	5650	13669	13920	8478	39715	25985	5953	6270	5629	6552	11077	5655	8627	9717	23359	23288	18116	7549	16381	6180	19303	10425	0	6395	7780	8341	10301	11794	6569	41288	6570	5318	7232	9679	22918	31022	3787	0	0	0	18133	38367	0	11203	9595	13038	15759	6743	0	6437	7073	4973	11718	6252	9121	0	10044	13406	8169	4661	8242	6236	8365	0	30634	36374	10751	7062	7125	8759	8406	0	5427	12786	0	10937	15289	9199	11931	11771	5511	7568	3642	5008	8188	7695	6451	8537	16563	14763	0	11034	14515	13267	10589	10199	9985	6631	9039	0	6606	11321	0	8333	11858	Phytochemical	0.42307693	1.0	0.0
24	C26 H26 O11	515.1548	515.1555	0.13505729	515.15485	30046	28392	24496	26618	37089	25116	5794	6715	48351	104600	33372	5072	73355	19611	13118	13067	4673	44109	42537	62281	60741	39736	14906	9234	10044	53883	4457	23231	5059	4338	6616	6486	10326	5895	106342	4325	13232	8935	3866	36133	33392	6463	0	0	0	46750	48510	0	8125	4960	30779	31733	22292	0	43009	39193	15484	7790	9710	6674	7927	26256	69825	38127	17535	48663	17289	5416	51475	78871	75587	4036	4945	4130	3619	3570	0	8446	30512	24100	22176	33573	8323	25096	47129	25085	18281	10869	9957	4741	14371	12715	17431	40302	57978	0	30097	27088	35505	34821	43927	6675	4237	8606	25654	7054	28993	0	8962	70901	Phytochemical	0.42307693	1.0	0.0
28	C26 H26 O11	515.1548	515.1554	0.08795543	515.15485	5188	6195	6637	6804	11851	5653	1339	0	12067	20732	6978	1597	24161	8042	3806	3002	0	13122	11010	14338	14815	10214	6556	0	0	12113	1614	6365	0	0	1618	1291	1959	1801	29590	0	2218	2167	1702	8003	8558	3134	0	0	0	9491	11469	0	1765	0	8075	8871	6878	0	14111	10581	3725	2774	2993	1420	3889	6215	21627	10395	4501	12266	3846	1482	14037	26960	23824	1724	0	0	0	0	0	1065	7901	7770	5899	5528	1801	5204	15932	7671	6425	2522	2025	1592	2505	4582	3794	10052	14540	0	6552	7100	8907	11525	11340	0	1640	3275	5175	3549	9815	0	2029	17124	Phytochemical	0.42307693	1.0	0.0
22	C26 H26 O11	515.1548	515.1555	0.097282186	515.15485	61659	59889	58022	58526	75230	45788	13442	14536	93101	206908	85132	11343	98211	36357	25712	19196	13119	91164	78181	145110	135441	92506	33330	24586	24310	111661	15465	69965	19958	12489	14956	12775	23470	15202	238035	16433	23697	24380	11673	70517	55376	24009	0	0	0	93660	76061	0	15688	12720	69339	58914	44778	533	79271	67696	36757	24361	18068	10774	26529	57410	124167	65835	28906	83357	37621	12521	93709	157003	146279	16695	11946	9596	9813	11122	0	13074	50431	46271	40650	83004	18179	55857	84061	45701	36668	23855	28799	17431	28853	35173	28919	72424	100156	0	51505	50826	68111	73946	76458	20470	13394	27265	79473	21784	69190	0	25720	126857	Phytochemical	0.42307693	1.0	0.0
10	C25 H26 O10 N2	515.166	515.1669	0.10935444	515.1661	14366	13152	9264	11420	9859	5290	6077	6137	10191	38732	18340	5074	12059	4868	4761	11494	6714	11583	11332	32457	30887	23579	6950	11241	2829	11779	5478	13022	6071	5508	4287	8904	7446	6219	47437	7514	8814	3526	12619	24960	28762	5273	0	0	0	18922	25635	0	9831	4520	10834	8892	6499	0	11585	8277	4357	9282	0	10280	0	14805	11716	12466	3771	16012	6873	8974	15800	19104	29350	5723	5120	4669	6544	5603	0	4789	9045	14194	8646	13485	5589	18118	8195	4608	6598	4638	5483	13602	7435	12656	12180	23836	30138	0	10543	13093	7346	7678	7680	6287	4348	11025	16808	7290	6203	0	9307	14728	Phytochemical	0.4	1.04	0.08
16	C23 H30 O13	515.1759	515.17676	0.15999056	515.176	60261	60497	56123	53317	28539	33412	33041	66224	50591	115882	37957	28506	60392	17516	65326	40795	23171	67415	64280	91482	73901	93499	44890	58035	52408	16161	25079	34165	61745	45044	61992	64432	68036	40667	143269	53269	60969	47878	25303	68433	26792	27458	431	0	0	118047	63976	0	51149	48201	51775	51562	27668	0	74687	27085	25148	53474	78972	17908	43851	52339	66226	46695	18903	45201	33089	21886	18642	37111	19116	64589	53042	70682	16590	60066	0	40501	35330	40264	33550	82812	38546	38693	29290	25903	38490	21146	27132	27501	37744	68358	64508	43221	64475	0	49570	51661	28498	22619	16719	62104	33636	56062	85333	54065	30846	0	31707	65093	Phytochemical	0.5652174	1.3043479	0.0
14	C23 H30 O13	515.1759	515.1768	0.2508633	515.176	43930	39014	35352	39205	23912	23311	28779	44542	31353	72066	40413	22533	35186	9046	39058	34801	18984	29339	33375	60592	62028	74544	39097	38571	30218	13471	26064	25557	36791	41815	43505	42980	49548	32027	89382	39231	42068	36696	22166	48372	31325	17113	0	0	0	161164	53063	0	43075	72952	32694	39905	20172	0	38875	19001	14664	39316	69897	18392	52796	39054	34188	37166	15508	25853	19455	24468	0	22420	22743	34751	30693	40901	25212	39535	0	56366	34527	23197	29968	49408	26403	25666	20701	19291	24040	20916	21408	29761	22383	33189	40940	44395	40403	0	41517	36268	21725	18208	20664	39326	26535	49786	57245	39017	17423	0	24424	33456	Phytochemical	0.5652174	1.3043479	0.0
12	C22 H30 O12 N2	515.18713	515.188	0.09302312	515.1872	14499	17537	12255	14086	7908	8232	13835	25316	11787	18244	3943	9628	16580	3800	19486	14687	11112	12007	18145	18446	16290	29672	18549	18460	15326	0	6854	0	25983	19154	17768	17417	24281	16066	24610	19086	25322	15327	14624	17453	16953	9257	0	0	0	21921	8789	0	14224	17805	13036	13443	7739	0	20927	7345	7642	22266	26529	16087	0	10930	12142	13951	6913	12521	8980	16197	0	4265	4485	17792	15598	19073	10080	11866	0	15434	9863	0	10135	11558	14680	6763	7372	5541	14246	8604	10733	20335	13784	21685	29992	9792	8804	0	17643	14912	5239	5874	5782	16200	16943	21706	0	20395	5425	0	12128	19991	Lipid	0.54545456	1.3636364	0.09090909
16	C22 H30 O12 N2	515.18713	515.1881	0.33184025	515.1873	7342	9560	11001	9115	4699	9775	11037	20538	9172	11517	6141	6989	14886	0	16938	11016	5622	16410	12501	12367	11446	16366	10821	15627	16918	4951	6469	0	17104	18567	12129	14977	21263	12247	15949	15969	20500	10579	8477	14426	7833	9391	0	0	0	27772	7434	0	17265	10781	11093	11514	6628	0	15401	4608	4728	18045	21632	0	11821	9557	11248	10151	5226	10983	7399	7955	0	0	3897	18555	16366	18351	8409	11702	0	12990	8706	0	5179	9492	8976	5886	10574	5349	7792	7033	8907	0	15824	21331	0	6912	7716	0	11134	16819	6598	8644	4498	15724	9152	17011	0	0	3861	0	9856	13095	Lipid	0.54545456	1.3636364	0.09090909
16	C27 H30 O10	515.19116	515.1919	0.03845205	515.1912	102876	106729	93714	101541	72234	49288	64597	76825	74483	196535	118845	56937	94228	40834	57699	82770	62340	65001	92237	195194	175171	95120	59352	73377	52895	194788	51391	106169	63580	61703	64881	79110	75463	55040	213803	66205	75695	57527	74008	116800	133087	39052	1551	0	0	89296	110305	0	82801	69183	98564	103538	52884	321	77582	72154	46085	77678	56633	65712	95477	65927	90936	69862	37200	72134	53317	68831	158837	219791	246371	69005	62675	72405	57728	70518	0	50401	104556	70819	82442	86225	68103	104715	86715	44376	97868	41583	45672	129809	78325	89365	110199	65737	92630	795	105212	90780	69774	77260	74125	70578	54481	92480	65012	68738	63655	0	69603	98605	Phytochemical	0.37037036	1.1111112	0.0
28	C27 H30 O10	515.19116	515.1919	0.091827236	515.1912	12298	12040	13366	9869	15316	8559	3464	7428	15946	32671	12018	4589	28914	10976	6568	7056	3210	16961	21774	24787	28309	10605	6867	7218	3318	29685	4296	13649	3458	3590	4477	2990	5193	3862	35687	0	7729	4142	4633	14501	11158	5479	0	0	0	12923	11473	0	5801	5925	13562	11516	10510	0	14913	14993	6325	5978	4903	3736	7030	7797	20033	14120	5572	21204	9169	3649	31351	45819	51401	6360	2941	3486	2983	3547	0	2278	13067	8587	7856	7609	4655	11198	21237	8897	13168	5010	5178	5231	8424	10065	9767	9282	15801	0	13342	14761	11743	18041	20899	5030	3962	6948	6143	6937	10690	0	5219	19799	Phytochemical	0.37037036	1.1111112	0.0
24	C27 H30 O10	515.19116	515.19183	0.07620313	515.1912	71754	71512	67387	74801	80539	55777	21854	33556	103424	188564	96625	22627	147071	44211	39357	41188	20082	96269	102514	149359	143517	75115	50627	47436	31289	161180	19877	78702	32356	25869	27244	29801	41910	29360	246385	27130	46290	30410	29210	102719	77436	29717	1917	0	0	87326	76345	0	38961	30017	67616	71338	54570	0	102733	81909	38611	39220	32752	20215	43207	74611	117646	83816	33387	104938	48968	21837	135432	249989	218289	35016	24381	20216	19926	27771	0	22983	72743	44325	58136	58671	25146	74015	107060	56532	59678	28533	38047	27960	45426	44600	52984	61617	88263	0	71915	63864	70803	78471	83345	32123	24267	41211	55545	33545	66011	0	28846	133582	Phytochemical	0.37037036	1.1111112	0.0
26	C27 H30 O10	515.19116	515.1919	0.051887315	515.1912	30321	25391	26363	26774	41808	23367	6422	13500	45687	71358	35032	9135	72083	26264	15653	16857	8403	39319	49592	66688	69259	32161	20838	15695	10548	67106	5152	32995	10031	0	12201	7762	15411	9252	87920	8080	23631	13512	11943	35822	33614	12973	0	0	0	35094	29570	0	11940	11008	26722	26661	26230	0	46625	44285	16407	14317	9003	7260	18122	32746	57180	39037	14247	40681	21411	13393	72332	111621	117605	15950	9317	0	8629	10763	0	10583	27348	19127	28158	22700	12259	31526	52404	22629	27045	13664	14533	12435	15300	19852	17333	24442	40698	0	28410	32956	29777	45738	44678	8644	10241	12604	22932	10196	32469	0	12842	62336	Phytochemical	0.37037036	1.1111112	0.0
10	C26 H30 O9 N2	515.2024	515.20325	0.10428483	515.20245	11952	10781	11486	8763	7540	7148	5304	7798	6219	25426	13244	4712	9439	2784	4422	7383	5120	4621	5855	32431	32490	16235	7145	13941	9546	17652	3563	12911	7375	7798	7439	7528	11388	8043	38223	5420	9517	3416	9800	28013	19934	4758	0	0	0	17520	14292	0	7252	7195	12037	10856	7296	0	7153	4175	4104	8648	5435	6834	0	10216	7905	5846	2172	3100	5928	10802	12412	26717	16149	6496	7075	5322	5223	8410	0	4959	8523	10985	5678	9498	6214	17377	5198	3721	6023	6108	5198	10938	10469	10167	14087	12953	18230	0	11845	11020	4538	4549	3367	8905	3027	13788	0	8022	4597	0	5799	7826	Phytochemical	0.34615386	1.1538461	0.07692308
4	C26 H30 O9 N2	515.2024	515.2034	0.19289087	515.2025	3567	2641	3062	2912	817	1823	9072	952	704	1680	2042	4401	265	0	1225	789	62906	1632	1711	1773	2188	1010	988	741	0	641	11930	0	0	929	0	2403	1827	1591	2149	1631	2626	1114	94030	1288	9663	7709	0	0	0	0	5326	0	2204	0	2547	2568	2566	0	545	0	3321	0	1175	29644	1095	0	412	1202	2784	2167	3976	48303	848	0	0	822	0	0	0	1018	0	2272	9560	0	6641	1612	3631	1399	812	2415	4604	5036	3445	1618	0	769	961	1047	1055	0	3111	3889	1048	0	611	5305	2536	3809	0	710	1008	0	1488	0	Phytochemical	0.34615386	1.1538461	0.07692308
22	C28 H34 O7 S1	515.2098	515.21045	0.3880367	515.21	17333	9208	8661	10416	12457	0	5680	14814	12808	23096	23377	4631	10614	6838	13090	14501	3718	12392	13197	39085	33669	11350	8427	15033	17405	46160	0	21643	17960	7889	15444	14791	13484	9343	46381	8992	12804	6981	4317	28583	30324	11587	0	0	0	17089	21164	0	11363	9216	11711	12196	13345	0	14208	6141	0	9720	14302	20540	11528	19019	12279	8393	0	11315	8167	11938	41231	45882	53655	10686	13093	13945	7243	8655	0	11059	5808	16812	6544	10196	19224	33752	6890	5125	18668	8960	5291	7993	14546	19024	15798	29922	26504	0	10836	19662	5370	4927	5682	12813	6040	16186	7404	14198	4624	0	5912	14410	Organosulfur	0.25	1.2142857	0.0
24	C28 H34 O7 S1	515.2098	515.2108	0.46122912	515.21	60870	79338	52011	31080	23853	15237	6585	3447	14472	75222	101796	8220	18748	17139	10605	17225	13800	26859	33942	100131	87972	63588	6960	22408	0	176250	0	82137	0	6765	2074	11235	5478	13497	99981	10906	18293	10584	14031	94584	106470	33108	0	0	0	27072	86916	0	11439	0	25659	33759	23298	0	16973	9945	12075	4868	59370	35229	12351	65949	8382	8706	12111	24111	22284	19987	143820	168654	172035	2924	3654	4124	0	10110	0	2360	20010	57987	14248	30123	26234	73680	15723	15486	24516	13428	16005	20994	77991	77893	42358	72724	71049	0	35505	27294	14064	14742	14418	17133	5253	54090	39909	15858	15201	0	7530	24843	Organosulfur	0.25	1.2142857	0.0
16	C24 H34 O12	515.2123	515.21313	0.19069065	515.2124	23898	26738	35767	31807	13409	18269	24265	46132	21731	44715	20770	18270	21909	7141	34053	26911	20815	20002	28221	38265	32839	24439	31717	33836	34009	10958	21713	12818	34904	33233	34071	40688	37551	31109	55130	33802	30874	23810	18812	26705	15459	17608	671	0	0	29984	15835	0	31259	35860	22537	25516	13396	0	32757	13360	12779	35547	45344	9749	28492	17693	21302	15327	8702	16386	21573	19408	6618	21741	16636	36987	36004	42114	22032	29975	0	23258	23054	10767	24608	23947	28677	18915	13831	9379	23044	13468	16570	24127	27628	35864	33838	17099	18747	0	28138	29414	14922	9839	9150	33334	22062	35432	21356	43884	14345	0	21385	22932	Lipid	0.5	1.4166666	0.0
18	C24 H34 O12	515.2123	515.213	0.065705694	515.21234	43266	36067	45131	33836	19337	25092	25748	58633	27960	67567	25677	21123	31823	12438	38969	30305	15173	30573	43209	51417	40998	40990	37728	44321	43210	21136	22343	22049	52124	47311	45979	44163	53384	38008	84254	48811	48256	31119	17360	52702	13424	20152	904	0	0	48437	12161	0	45023	40109	36651	34941	15783	0	57208	17636	15591	40553	63593	12275	36170	27292	35975	30585	16373	31717	24206	13494	14508	27595	26136	38429	43066	60362	18752	34317	0	40790	28846	9353	26966	25525	34114	17187	21127	21888	20046	16628	17446	15936	42221	61623	50328	14734	27379	0	36452	28671	21417	10272	10356	41980	27686	44344	21226	35746	17575	0	24998	34024	Lipid	0.5	1.4166666	0.0
22	C28 H34 O9	515.22754	515.2283	0.07969668	515.2276	351854	358962	327241	334458	367875	242414	144808	282116	384654	705929	450634	169366	358667	220340	254835	297202	166403	362154	374587	752950	697007	319104	281807	312452	246164	891029	142498	420621	255423	215777	224395	256181	291149	227466	809107	225074	300835	215839	176927	489073	334714	180377	5454	0	655	309651	260917	0	252360	239008	358153	341267	246625	940	407678	327429	185145	295070	230169	146088	291546	299306	419837	324105	153967	355638	219925	181423	647988	1181147	1034168	252437	207072	214984	156768	228451	428	197185	349319	185283	282421	197103	190016	315697	400719	224283	315012	168513	212876	233948	288528	338380	352720	219423	304143	0	303395	322292	299389	345965	311278	287966	177745	306887	210237	251488	290168	0	207928	436218	Phytochemical	0.32142857	1.2142857	0.0
16	C28 H34 O9	515.22754	515.2283	0.017126082	515.22754	88070	82209	83085	83428	50431	28970	68913	101574	57197	81619	69466	69567	70525	28346	61378	90173	216748	44895	66570	100007	103041	60966	72052	81344	67278	122619	66780	60534	67612	75710	72801	69721	84984	42068	100658	75613	64739	58909	254877	60144	83532	33192	772	0	0	53244	61310	0	78860	78197	77428	73514	48912	538	71569	54358	41580	74678	58451	67063	79289	41149	69322	58858	35146	51648	42077	188956	104253	138836	159604	47769	50053	84047	89773	81302	0	60740	100770	40701	77913	42040	60196	53723	77293	35475	92454	35161	44746	113126	66084	64390	99650	43648	52864	868	76512	79996	49489	70175	76958	82371	54559	88490	45617	77152	61123	0	86555	58323	Phytochemical	0.32142857	1.2142857	0.0
24	C28 H34 O9	515.22754	515.2282	0.07653721	515.2276	204838	202816	193488	183328	217724	147102	87073	169788	230003	431303	264869	102058	308593	123840	141690	162053	80997	230343	267841	433607	400052	186461	153425	162188	125320	499016	78712	230142	137542	113568	138147	131241	153438	115738	546267	132892	194735	111179	92653	277696	211417	102410	4751	0	0	196660	152588	0	143402	146109	203091	203350	152893	0	270094	195074	98942	158105	129308	78714	155327	190301	294116	192398	83553	247039	131572	97968	417647	710591	628394	146433	118831	113914	78371	115402	0	121505	207568	102650	161282	124130	115067	172428	246808	135782	172789	99144	117756	118727	165654	173941	215012	126667	202443	0	197152	189735	157493	221026	221942	151734	96306	178497	125335	138760	174664	0	105831	262884	Phytochemical	0.32142857	1.2142857	0.0
14	C28 H34 O9	515.22754	515.2284	0.07967212	515.2276	28980	27501	23715	27504	12207	8064	32276	30179	15350	20614	20210	22049	14538	9507	23000	35678	28698	9482	15021	29288	30314	31774	23077	39162	20330	27673	23955	16683	22023	30863	24706	29881	21345	12324	17470	22717	20837	23686	36349	16593	21563	11487	0	0	0	18112	26942	0	31203	29776	27756	28699	12881	335	16873	13818	14679	30083	27186	38035	27451	11593	15171	20850	11319	12146	12029	37994	33749	29600	43034	13703	18645	26418	26834	27644	0	23214	31322	0	25278	12999	28034	16820	23633	14347	32360	11413	9492	53844	18337	16314	29408	10420	15869	0	26951	20980	13387	19181	18883	28574	17778	37983	17392	21449	18373	0	28667	15613	Phytochemical	0.32142857	1.2142857	0.0
26	C28 H34 O9	515.22754	515.2283	0.03913597	515.2276	71292	68328	65588	64386	88546	48935	22847	52137	86971	121684	81179	30254	120435	54001	48531	55965	32243	96052	105340	151443	141336	65342	60435	58770	42228	177017	24338	77794	44768	45245	40003	48783	54114	41592	160223	44260	60412	37861	33744	96785	76699	31774	0	0	0	71513	69399	0	48438	43581	68805	70963	58115	0	94564	96053	42536	53524	37352	27699	66035	59800	108120	78209	31293	94178	50180	42279	171019	241416	247952	42946	38190	34403	29786	38351	0	34622	75915	33433	58356	43825	41966	64133	97323	61233	65842	39458	38184	39537	52580	58606	74879	49444	73614	0	71988	69369	61544	97364	93996	56874	30919	53509	43863	43797	76778	0	37703	99583	Phytochemical	0.32142857	1.2142857	0.0
14	C27 H34 O8 N2	515.2388	515.23956	0.13398927	515.2389	8443	6549	10118	8548	2210	2856	5656	9593	1323	11493	10977	4614	0	1663	4308	8647	9067	3099	2286	15336	20579	9255	5530	10322	8179	7899	3420	9241	8161	6086	10263	8533	9575	7237	14958	5292	9042	4481	9224	14699	8688	5376	0	0	0	10996	0	0	7710	6515	6320	5792	2898	0	1807	0	3892	10068	0	0	0	9262	2431	3045	2661	2524	6527	8533	0	10032	7227	7365	6743	6453	8768	7709	0	4786	4611	0	6022	3714	3433	8685	1834	0	5135	3448	3423	12324	12036	7258	20819	6993	12522	0	12683	8889	1616	1236	2217	10798	4029	11318	0	12663	1321	0	6129	3602	Phytochemical	0.2962963	1.2592592	0.074074075
24	C32 H34 O6	515.2428	515.24347	-0.08591166	515.2428	2347	2828	2538	3834	0	2008	0	2831	2776	2957	9332	2823	1371	3033	2370	3430	3506	1205	2273	3159	2739	0	3146	3028	3043	20319	0	5891	3226	2267	2552	0	3812	2807	2358	2801	5005	2500	3992	4381	8547	2905	0	0	0	0	2516	0	3097	3691	2479	3833	2002	0	2869	2471	1697	3552	1459	2126	3573	1774	2227	1661	0	2647	2507	2435	21061	10302	14358	1704	3528	3690	3007	3480	0	3077	3161	1417	2909	2597	4162	4606	4892	0	5755	0	2447	5681	2336	3354	3929	1817	2808	0	1844	4649	1057	2872	2963	4282	2877	4535	0	3617	3053	0	3232	1561	Phytochemical	0.1875	1.0625	0.0
10	C26 H34 O7 N4	515.25	515.25055	-0.2641301	515.2499	2661	3138	0	0	0	1064	2526	2232	0	0	0	1043	0	0	0	1994	1656	0	0	0	0	0	1096	3491	3452	0	0	5310	2922	2260	1375	2900	1890	927	1498	3640	4530	2348	3168	0	0	0	0	0	0	0	0	0	2036	2624	1384	2301	0	0	0	0	0	2703	0	0	0	999	0	0	0	1271	0	3037	0	0	0	1378	2262	1445	1414	1970	0	1558	2424	35726	1300	1049	785	0	0	0	1440	1622	905	3141	48881	14682	3751	2370	0	0	1753	0	0	0	0	2729	2432	0	0	2606	0	0	2049	0	Peptide	0.26923078	1.3076923	0.15384616
16	C29 H38 O8	515.2639	515.2647	0.05590098	515.264	28509	28041	22117	21972	16454	8019	28112	23685	21606	13904	10291	23280	15262	8771	24730	28623	46589	7636	21310	14724	16094	15811	21912	32734	17704	18850	30124	12158	18174	20964	19597	20124	27782	12199	16994	20803	26492	19401	46361	14214	19895	13140	627	0	0	7706	10037	0	32370	29029	20170	27727	12500	0	26016	24077	15615	34586	17567	25881	26150	8171	21163	16442	15867	17693	16019	49986	13758	19195	30276	13482	15500	30761	45086	26620	0	18780	41827	13730	26466	11218	23616	12402	37678	14960	44613	7582	16360	70335	20115	17061	0	12176	11093	0	20448	25333	19468	35257	41727	22883	16666	23618	7057	23585	22857	0	30523	12729	Phytochemical	0.27586207	1.3103448	0.0
20	C29 H38 O8	515.2639	515.26465	0.03896624	515.264	221723	201791	197126	195193	220182	113038	164170	196002	208875	205734	182275	156229	205484	132762	178424	252336	251014	153569	235509	257034	257236	173130	171382	212644	149950	358931	161021	164907	168219	192767	157241	177656	209677	129760	218370	185192	194302	166415	240775	171442	215042	119360	4448	0	0	140449	156054	519	197217	168945	210232	220100	170655	602	232469	224575	138990	203702	135279	153604	214248	112650	218412	204997	122328	173919	140908	283631	280278	365453	423633	130384	138109	164765	218813	164628	0	133211	291817	137221	212733	96777	158336	172039	285715	166486	263845	122676	134568	264046	203752	189622	221693	120683	146074	906	214392	220135	172215	261603	286143	219798	140369	200129	106451	184352	220591	0	181064	194008	Phytochemical	0.27586207	1.3103448	0.0
24	C29 H38 O8	515.2639	515.2646	0.079475984	515.264	397143	420946	373435	375455	470045	260200	195472	327278	436305	582818	483833	192074	483553	249353	283025	371194	248354	395350	560859	783568	693800	334264	305584	378382	274478	953019	183006	493493	320806	310204	296847	322889	383933	259290	754913	334646	422171	264169	271667	474159	384332	220478	8164	0	0	311893	248084	2046	345803	271790	386601	385552	362761	0	547468	416806	218643	395225	289024	183216	372413	304498	518007	404804	179938	402985	262163	295239	786188	1201658	1092478	279537	257074	260632	237932	281430	0	243568	449202	235218	354353	201505	259304	344366	531479	309979	380038	205495	285110	293902	358513	391999	432365	242963	337511	0	408347	401841	320984	465468	498314	393896	202870	398853	210663	307922	400885	0	258481	495443	Phytochemical	0.27586207	1.3103448	0.0
26	C29 H38 O8	515.2639	515.26465	0.06740715	515.264	188329	179077	174426	167300	231956	114317	76939	183641	212998	229774	208404	94483	262584	126394	154323	188423	116931	206792	270278	351833	310798	164543	162587	188671	143345	454170	73428	224457	168561	169062	146358	139590	186849	124892	326127	179240	207583	122160	109881	226569	184680	111478	0	0	0	186808	132127	0	161878	154949	169187	175870	165811	0	281754	243451	106051	163224	135173	87638	182414	135885	226837	189851	84153	192286	141252	121515	402403	534714	497757	134305	119425	138975	111483	123404	0	108887	199099	126866	152544	104526	125369	167223	265315	154474	186392	106510	118738	133241	163945	167243	217320	127135	160788	0	172935	196476	139930	273913	277889	185017	91337	202088	107215	122724	193828	0	118753	211926	Phytochemical	0.27586207	1.3103448	0.0
10	C23 H38 O9 N4	515.2712	515.27167	0.25963944	515.2713	3406	2384	1533	2293	0	0	0	0	0	1519	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4222	1724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1061	0	0	0	0	0	0	0	0	0	1193	0	0	0	0	0	0	0	326211	265162	1682	1435	0	0	1899	3392	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.39130434	1.6521739	0.17391305
6	C23 H38 O9 N4	515.2712	515.2723	0.19895728	515.27124	897	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6256	0	767	824	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41055	18724	0	834	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.39130434	1.6521739	0.17391305
8	C23 H38 O9 N4	515.2712	515.2721	0.17667761	515.27124	3210	3883	3451	3515	0	8687	0	0	0	0	1696	0	0	0	1079	0	0	0	0	0	0	0	0	0	0	0	0	74172	0	0	0	0	0	0	0	0	0	643	0	0	0	0	0	0	0	0	0	0	0	0	3506	2947	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6689	0	0	0	0	0	0	0	0	0	0	293260	253098	0	4227	0	0	3740	3505	0	0	0	0	0	0	0	0	0	0	707	0	Peptide	0.39130434	1.6521739	0.17391305
6	C30 H42 O5 S1	515.2826	515.283	-0.14334722	515.2825	0	891	0	0	0	494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24946	0	0	0	0	0	0	0	0	0	0	17061	7870	0	1619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.16666667	1.4	0.0
4	C30 H42 O5 S1	515.2826	515.2831	-0.28923857	515.2824	0	0	0	0	0	705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	244	0	0	6989	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36199	0	0	0	0	0	0	0	0	0	0	16558	5725	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.16666667	1.4	0.0
18	C30 H42 O7	515.30035	515.3011	0.04079469	515.30035	11773	8803	7368	8245	12045	4161	16156	7672	9410	0	1975	7335	9531	8291	8463	9908	23733	2532	9896	2761	3291	8243	8348	7796	7563	3168	13678	4658	6965	11034	3612	9029	11180	4402	3103	8831	9952	14644	29647	0	5173	4128	0	0	0	3466	3074	0	7710	9313	9510	10308	5699	0	12253	17574	8036	11076	3765	9002	7863	2135	9682	7781	7848	6209	5402	31110	1651	3353	3861	3294	2797	6167	15685	10892	0	4752	23012	5459	14758	3342	5945	4217	22318	14305	23148	4818	4576	22000	9984	7887	11753	1453	3219	0	9035	9834	11362	33310	28820	14370	5871	6814	5610	6210	17317	0	12370	4957	Lipid	0.23333333	1.4	0.0
20	C30 H42 O7	515.30035	515.301	0.007384559	515.30035	43897	40092	42304	46019	58625	22048	54553	38756	51853	14843	21145	28230	42961	44704	40443	50418	79241	50505	65850	18673	28404	28188	31617	34737	36359	36137	52572	21805	37940	39737	28594	41773	41579	18913	15569	43470	47648	33408	90373	17612	27022	29911	663	0	0	19701	23894	0	39099	25434	45153	41899	42187	0	60196	72238	37397	44554	28700	36818	40606	14282	51164	43794	35469	36355	33679	91070	23959	27680	49658	19601	23310	33666	69010	35621	0	26500	70255	34374	45232	11272	37289	19461	93538	41123	72869	23199	27771	75115	34401	36422	50344	21643	25243	0	39926	45224	41973	104420	119871	59236	30205	38421	18530	28557	74754	0	46224	36676	Lipid	0.23333333	1.4	0.0
10	C31 H46 O4 S1	515.319	515.3191	-0.30742076	515.3188	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1162	22906	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40772	0	0	0	0	0	0	0	0	0	0	61647	22838	0	1051	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.12903225	1.483871	0.0
8	C31 H46 O4 S1	515.319	515.3193	-0.3592124	515.3188	0	956	0	0	0	1493	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22308	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41112	0	0	0	0	0	0	0	0	0	0	40914	19508	0	1443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.12903225	1.483871	0.0
22	C31 H46 O6	515.33673	515.33734	0.03787296	515.33673	3730	4188	4052	4406	4295	3177	9680	4410	5604	0	1624	4137	2594	6789	6183	7259	13244	0	7379	1912	0	0	3313	0	7912	0	6740	2504	3203	7030	3733	6595	3374	0	1613	7595	4521	8704	17062	0	0	3687	0	0	0	0	1876	0	2842	2086	2274	3879	3739	0	10930	11406	4126	4906	2610	3252	3968	0	1759	4343	4986	4700	2821	18780	0	0	2113	1888	3290	10090	6978	3905	0	3122	6871	3995	3386	2450	4720	0	16090	11585	16351	2351	4273	14357	5093	5159	5767	1993	0	0	3840	3927	5035	19974	21414	8880	3776	1675	1264	5753	16128	0	8454	2131	Lipid	0.19354838	1.483871	0.0
12	C30 H46 O5 N2	515.34796	515.34845	0.11945074	515.348	0	0	0	0	0	0	9515	0	0	0	3770	31584	0	0	5345	0	0	0	0	0	0	0	0	0	0	0	4232	0	0	0	0	0	0	0	0	0	0	3373	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	843	0	0	0	0	0	0	0	0	0	0	0	0	56634	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55931	0	0	0	0	0	1125	0	Lipid	0.16666667	1.5333333	0.06666667
16	C23 H17 O13 N1	516.0773	516.0782	0.120961905	516.07733	4627	3782	4785	3222	5339	0	0	0	11614	2247	1774	0	11910	1536	0	0	0	8679	8087	2570	4886	15101	0	0	0	0	0	0	0	0	0	0	0	0	7563	0	0	0	0	1695	8407	0	0	0	0	4102	21231	0	0	0	3203	5792	4427	0	10036	8192	2559	0	0	0	0	5270	22563	9527	1883	11510	1521	0	0	0	1492	0	0	0	0	0	0	0	1797	8713	1467	11260	0	0	9477	2658	1987	1198	2594	0	0	0	0	20586	13081	0	4744	2110	5755	13201	8746	0	0	0	10892	0	6995	0	0	14191	Phytochemical	0.5652174	0.73913044	0.04347826
28	C23 H17 O13 N1	516.0773	516.078	0.20551199	516.0774	6325	5033	6187	5434	9030	3604	2354	0	10028	9394	1722	1234	19224	2640	0	0	0	19933	13000	4851	7288	14025	0	2159	2602	0	1302	0	0	0	1008	0	2059	0	8646	0	1927	1871	0	3750	5594	0	0	0	0	7599	13087	0	0	0	5219	3948	7912	0	16036	9174	3261	2199	1374	1766	2318	3241	21261	11505	3093	9709	2625	1393	0	1095	1599	0	0	0	0	0	0	1243	7018	9911	5651	5842	0	0	12725	5192	4426	1456	2453	0	0	2277	4185	16630	17916	0	4500	4128	5865	6407	9780	0	0	0	9026	1810	9533	0	907	17515	Phytochemical	0.5652174	0.73913044	0.04347826
20	C23 H17 O13 N1	516.0773	516.07806	0.13528386	516.07733	5752	6847	6255	7172	9836	5133	1464	0	11190	7854	4154	1607	24805	2321	1801	2115	0	15303	12479	6575	8640	23063	4135	2754	0	0	1303	1377	0	0	0	0	0	0	6904	0	0	1386	0	4368	9726	4099	0	0	0	8909	22724	1197	0	0	3314	5461	6574	0	13179	19594	4841	0	1500	1380	1845	5154	29034	10893	3428	9562	4175	1876	0	0	0	0	0	0	0	0	0	1428	4988	16928	3045	9578	0	0	15672	5053	5734	3688	3047	1668	0	2831	2080	29259	26264	0	5532	9748	10530	14457	16151	0	1403	2500	13955	2075	9998	0	0	23604	Phytochemical	0.5652174	0.73913044	0.04347826
22	C23 H17 O13 N1	516.0773	516.07806	0.1628693	516.07733	3826	2236	4263	4768	9245	5266	0	1506	7552	3966	3533	1347	21317	0	1291	0	0	15048	10388	3431	6239	21260	5344	1613	0	0	0	0	0	0	0	0	1830	0	9597	0	2760	2005	1355	2759	4857	3872	0	0	0	8034	18832	0	1648	1388	3634	4748	4854	0	16907	10713	4029	1531	0	2131	0	3925	20124	14641	4257	11861	4882	0	0	0	2075	0	0	0	1555	0	563	0	5302	13439	3371	11029	0	2359	16202	4592	4441	4540	4704	1298	0	2760	4363	24095	24614	0	4509	5270	10300	10492	14442	0	0	0	9392	2988	10428	0	1346	19357	Phytochemical	0.5652174	0.73913044	0.04347826
18	C23 H17 O13 N1	516.0773	516.0781	0.14054297	516.07733	7915	3777	6890	4829	11446	3566	1933	0	12707	9085	3816	1444	18284	3102	0	1781	1881	7802	12839	5306	15165	27489	3759	0	0	0	0	0	0	0	0	2224	2073	0	12657	0	2106	0	1403	5477	10179	4354	0	0	0	7295	18172	0	0	0	2389	5677	5223	0	17038	14654	3600	1771	0	0	0	7994	26929	15757	3286	18816	2963	1684	1385	0	2802	0	0	0	0	0	0	1062	3490	18247	4120	16665	0	0	16456	6308	4835	3559	2732	2529	0	0	2118	28156	23668	0	3596	3962	12458	14035	13657	1450	0	0	9222	0	6984	0	0	20335	Phytochemical	0.5652174	0.73913044	0.04347826
24	C23 H17 O13 N1	516.0773	516.078	0.11597908	516.07733	4545	2323	6886	5189	7771	6425	0	0	9262	3373	1936	1973	20005	3148	0	2128	0	13528	11092	7023	8687	17109	4041	1987	0	0	0	0	0	0	0	0	0	0	8825	0	2756	1950	1515	3345	2482	1774	0	0	0	7929	15894	0	0	0	3434	3691	5701	0	14633	10524	3595	1518	1166	0	2917	3581	17495	13829	2469	11007	3426	0	0	0	0	0	0	0	1376	0	0	1421	7346	12901	2923	5642	0	1131	14114	5099	3270	3602	3627	2179	0	0	3187	19518	23323	0	3484	2075	5207	12518	10833	2007	972	0	6468	1371	5943	0	1165	18611	Phytochemical	0.5652174	0.73913044	0.04347826
26	C23 H17 O13 N1	516.0773	516.07794	0.03990073	516.0773	4543	3317	3887	5459	8465	5568	0	0	13467	9002	0	0	18040	3337	0	0	0	24014	14086	0	9133	14385	0	0	0	0	0	0	0	0	0	0	0	0	10453	0	2101	0	0	2664	4283	0	0	0	0	6363	13521	0	0	0	4496	2674	8709	0	17172	7704	3134	0	0	0	0	0	17253	10295	2912	8180	2043	0	0	0	0	0	0	0	0	0	0	0	6550	9079	4691	5794	0	0	11030	0	4357	3546	3781	1870	0	2130	0	14104	21643	0	4279	0	5749	8790	10670	0	0	0	9076	1656	6345	0	0	17923	Phytochemical	0.5652174	0.73913044	0.04347826
16	C20 H21 O13 N1 S1	516.0806	516.08203	-0.114749104	516.08057	6795	3782	4785	3222	6702	0	0	0	14688	2247	1774	0	11910	1536	0	0	0	12011	10569	2570	6914	15101	0	0	0	0	0	0	0	0	0	0	0	0	7563	0	0	0	0	1695	8407	1537	0	0	0	4102	24322	0	0	0	3203	5792	6032	0	10036	9346	2559	0	0	0	0	7074	22563	9527	1883	13330	2733	0	0	0	1492	0	0	0	0	0	0	0	1797	8713	1467	11260	0	0	9477	2658	1987	1198	2594	0	0	0	0	25103	13081	0	4744	2110	5755	13201	11786	0	0	0	10892	0	6995	0	0	16216	Organosulfur	0.65	1.05	0.05
22	C20 H21 O15 N1	516.0984	516.0994	0.3225959	516.0986	2091	4606	4010	1658	6892	5322	0	0	8992	1750	0	1889	11943	0	1297	1535	0	8054	3432	2343	4842	7136	1867	1999	1226	0	0	0	0	0	1205	0	0	0	3841	0	0	1207	0	0	2953	1237	0	0	0	7485	29413	0	0	0	0	1880	6144	0	8260	4153	3188	1623	0	0	1325	0	7543	8933	3178	4130	2861	1773	2656	0	0	1150	1045	0	0	0	368	1464	1598	5128	0	10493	0	0	5781	1162	0	1131	3353	0	0	0	0	7792	5676	0	3952	2908	10120	4582	4591	0	0	0	20584	0	10871	0	1294	11585	Phytochemical	0.75	1.05	0.05
14	C20 H21 O15 N1	516.0984	516.0993	0.10615402	516.09845	3147	4494	2481	3954	18679	6933	0	0	20307	0	3244	3790	38793	3952	2290	0	1935	21459	17052	3270	9154	8558	4577	0	0	0	0	0	0	0	0	0	3484	0	3138	0	0	2834	1154	1628	3734	9177	0	0	0	4651	29622	0	0	0	2940	2366	10788	0	19802	27502	8529	0	0	0	0	7589	42786	16847	8173	15271	7277	0	0	0	0	0	0	0	1258	0	0	1259	1823	17107	3583	9728	0	0	33857	5853	1547	4412	6002	0	0	0	3988	20778	5894	0	6754	5254	25104	23767	28185	0	2582	0	26058	0	18991	0	0	29204	Phytochemical	0.75	1.05	0.05
12	C20 H21 O15 N1	516.0984	516.09937	0.23367497	516.0985	1920	2565	0	3401	12060	3058	0	0	13117	1477	4552	3252	19503	2178	2075	0	0	11545	14008	4136	4244	7315	4869	0	0	873	0	0	0	0	0	0	0	0	0	0	0	1202	0	0	4151	5573	0	0	0	2606	22321	0	0	0	2587	0	5149	0	8004	20765	3046	0	0	0	0	2923	29047	12171	5846	11177	3951	0	0	2385	0	0	0	0	0	0	0	1684	0	0	1692	4421	0	0	18153	2718	0	5707	4124	0	0	0	1932	13789	4322	0	2585	3227	18374	15473	16407	0	0	0	0	0	11512	0	1008	20492	Phytochemical	0.75	1.05	0.05
24	C20 H21 O15 N1	516.0984	516.09924	0.12162567	516.09845	2799	2089	2657	2103	5250	3658	0	0	4045	1403	3881	1774	11251	0	1310	0	0	5915	3722	2286	4738	0	0	0	0	0	0	1119	0	0	0	0	0	0	0	0	0	0	0	2400	2650	0	0	0	0	6878	29692	0	0	0	2695	1237	3417	0	3999	4481	0	0	0	1173	1115	3894	8255	4972	2058	1645	1445	0	0	0	0	0	0	0	0	0	0	0	1069	6065	0	9126	0	0	2033	0	0	1419	1763	0	0	0	0	6070	0	0	4009	5405	7451	2574	2994	0	1427	0	23225	0	6001	0	0	12551	Phytochemical	0.75	1.05	0.05
26	C20 H21 O15 N1	516.0984	516.09924	0.11323946	516.09845	2945	2502	0	3076	4878	7075	0	0	8370	0	0	0	8930	1929	0	0	0	5357	5113	0	6775	5502	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3745	0	0	0	0	6083	34081	0	0	0	2560	0	3106	0	0	0	0	0	0	0	0	5620	8124	5256	0	1955	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2637	0	4314	2505	0	0	0	0	22170	0	0	0	0	11139	Phytochemical	0.75	1.05	0.05
24	C24 H21 O12 N1	516.11365	516.11426	-0.008076155	516.11365	6881	8179	6918	8069	10122	8013	1290	5559	13862	27029	6932	2911	19694	3779	8062	2167	0	18187	13356	15719	16834	24348	5317	1698	7406	2300	0	3463	7480	8223	13990	3731	3327	2004	29578	4083	5525	0	1484	8084	8323	2267	0	0	0	18347	24361	0	6266	4255	5591	6554	6970	0	16696	9538	2955	4845	2370	0	4823	8037	22208	10999	4286	10477	4578	1461	3548	5070	3478	3721	6647	10000	0	5308	0	6627	5403	13993	5352	18117	1905	5067	15999	4739	6022	3172	6118	4859	1825	4481	3201	29196	43206	0	7923	10136	6791	7457	9726	1704	3750	0	16848	2438	6770	0	2990	20110	Phytochemical	0.5	0.875	0.041666668
22	C24 H21 O12 N1	516.11365	516.1143	0.066231646	516.1137	11941	7568	7745	12568	20643	10998	1909	2487	18222	42745	9936	1730	29193	7503	5934	2426	1427	24871	20412	21438	31768	45503	6594	3941	4135	6360	2016	6968	1357	0	2006	0	2186	1981	48977	1275	5120	4376	1686	21097	14470	6138	0	0	0	31038	40739	0	0	3323	9084	13054	13284	272	27852	13180	8348	7069	4064	1426	3661	13822	32891	21175	6936	16978	9239	0	11289	8470	11592	2737	0	0	0	1247	360	2511	11058	30194	6851	24846	3034	10800	16700	15571	8166	4681	6532	2882	4055	7273	4630	42557	60324	0	15042	12894	16147	14588	14317	6861	2410	4554	23775	3215	13363	0	4192	32893	Phytochemical	0.5	0.875	0.041666668
28	C24 H21 O12 N1	516.11365	516.1143	0.06969672	516.1137	4848	3142	4530	3593	5118	5225	0	0	6766	17192	3522	0	11285	2819	0	0	0	10860	8632	6132	12439	14263	0	2003	0	4287	0	1482	0	0	990	0	1645	0	18914	0	1322	0	0	5571	4516	0	0	0	0	9077	14404	0	0	0	5088	2804	3636	0	11057	5453	1744	1294	1422	0	0	4051	11525	7404	1644	9588	1986	0	4066	5137	4941	0	0	0	0	0	0	0	4121	7893	2358	6138	0	3102	5762	2856	2362	1585	1934	1038	2207	4153	3419	14282	24477	0	3743	5425	3110	5370	5904	0	1070	0	8804	1690	4975	0	1077	11888	Phytochemical	0.5	0.875	0.041666668
14	C24 H21 O12 N1	516.11365	516.1145	0.19431002	516.1138	13181	14889	12744	14293	16487	5548	1944	0	21761	50824	25450	1879	35652	5155	1735	2271	0	16099	19866	24332	47193	63223	5811	0	2178	10293	2599	14535	0	0	0	0	2683	0	79181	0	3848	3052	3661	25221	23881	5656	0	0	0	24404	52811	0	0	0	12849	9884	8757	0	22873	19204	7534	1783	0	0	0	16497	36074	12423	5442	17841	6420	3439	19012	14799	24207	1798	0	0	1966	0	0	1300	8332	41109	8938	23853	0	10968	19669	5374	7307	6058	3762	5160	2757	5955	5132	54785	45745	0	14839	13899	10240	21273	18421	4358	1601	0	29214	4531	14224	0	2330	25263	Phytochemical	0.5	0.875	0.041666668
26	C24 H21 O12 N1	516.11365	516.1144	-3.58535E-4	516.11365	4465	4188	4366	5570	6892	6076	0	0	9342	20218	3852	0	14042	0	0	0	0	12834	7204	9989	10522	19593	0	0	0	0	0	0	0	0	0	0	0	0	20717	0	0	0	0	6193	7006	0	0	0	0	8792	15207	0	0	0	3181	4112	3662	0	11573	6586	0	0	0	0	0	7250	16375	9253	2431	6397	3588	0	0	4637	4742	0	0	0	0	0	0	0	3758	8317	4281	11377	0	2556	7765	0	3361	0	2551	0	1753	2552	0	17545	25539	0	3988	6164	5083	6502	6596	0	0	0	10045	0	6065	0	0	14528	Phytochemical	0.5	0.875	0.041666668
20	C24 H21 O12 N1	516.11365	516.1144	0.08307834	516.1137	21804	15908	20274	16785	20954	12830	2889	2045	31444	66973	25503	3294	40185	10749	3893	6152	4099	35556	25494	44153	49792	65932	8124	5272	5405	12114	5845	10027	0	1636	1947	0	8484	1472	77157	2370	5311	5121	2205	31581	23212	9566	797	0	0	41895	53862	0	3629	2795	15600	16579	20783	385	32874	20838	13386	4961	8343	4912	4193	24829	41619	20640	8523	30862	11452	2354	15966	15799	21871	2531	1972	0	2291	2067	276	3047	17881	41628	11225	32598	3220	23012	30857	15670	15225	8381	7620	4698	4443	15309	7881	69055	81253	0	17594	22724	27200	24618	25268	8086	1380	9246	42824	5048	27658	0	5342	50726	Phytochemical	0.5	0.875	0.041666668
18	C24 H21 O12 N1	516.11365	516.11444	0.13690269	516.1137	23265	21966	15170	22098	28147	15155	3679	3239	31530	86602	37405	3728	49779	10721	5416	4955	2186	35074	37292	48715	65192	82900	9896	4839	5192	14003	4375	15858	0	2639	2492	0	5738	0	101922	0	7028	5331	0	38611	37763	5697	934	0	0	54196	54642	0	3130	4008	17647	21643	17443	0	42298	32747	12240	10574	5847	6242	5609	33271	63218	31379	9330	27613	13644	2735	23228	13523	24735	1259	1446	0	2863	0	0	3451	17635	50812	9484	42693	2047	23270	29638	19612	18373	10510	11142	4799	8542	19529	8425	69446	90989	0	26921	23681	25049	31267	28187	7549	1751	7117	38134	5905	22192	0	2614	49026	Phytochemical	0.5	0.875	0.041666668
12	C24 H21 O12 N1	516.11365	516.11456	0.16987018	516.1138	3849	5839	5089	2760	7457	2547	0	2037	9732	21372	15949	1891	18289	3413	1482	0	0	8394	10415	13289	22162	20707	3771	0	0	4717	0	0	0	0	0	0	0	1558	47685	0	1327	2090	0	8266	12782	2514	0	0	0	7818	23559	0	1176	0	5136	8035	4616	0	10929	8010	3806	0	0	0	0	7001	19993	9666	2976	10212	3911	0	0	9307	13233	0	0	0	1378	0	0	1339	4971	0	3524	8702	2416	3211	11992	3841	5239	3391	3325	5056	0	5043	2054	30922	16673	0	4606	5607	10645	11237	10005	0	1043	0	0	2399	6667	0	0	17397	Phytochemical	0.5	0.875	0.041666668
14	C21 H25 O14 N1	516.13477	516.1356	0.12123596	516.1348	57559	45473	42057	54803	71394	48312	18502	38427	97346	33887	38296	33995	143508	27891	45878	29319	40754	119511	104836	73721	105585	86892	52933	34632	13351	5471	15074	9693	29572	26387	23883	22623	38884	19848	64765	28304	30827	36268	24473	40680	77221	48962	0	0	0	176268	367766	0	18308	34393	48191	53097	52081	0	121381	86988	35891	16875	37399	23985	27859	79329	122595	95093	34904	73414	42837	14231	29447	16971	26648	20494	23473	29318	29857	24388	0	29720	40707	113233	33277	148982	11314	14122	101962	56615	25057	43670	35795	23654	10072	22983	44002	97533	80233	0	52685	70497	83904	67760	70122	55218	25387	38675	392369	29875	80676	0	12601	103004	Phytochemical	0.6666667	1.1904762	0.04761905
10	C21 H25 O14 N1	516.13477	516.1357	0.18253164	516.1349	23426	17542	16829	18034	29612	14704	7115	14996	35347	20723	17529	15985	58228	8867	14582	12794	21805	36837	40238	21610	44692	38140	22412	15163	3600	2834	8298	3059	10656	10798	10761	8358	14565	7965	23510	10903	14676	10573	17339	14701	28438	20562	0	0	0	44092	100533	0	6923	16312	19166	18764	15958	0	41090	36517	13198	6924	7464	15716	16472	19064	49784	34739	15598	32584	14446	18631	13999	5400	11719	10318	8153	9409	16499	9175	0	8344	13914	24194	11773	34556	3268	3221	40323	20829	14999	13662	13484	19563	0	6690	20382	36537	36037	0	20934	30886	34139	31939	39730	18767	11585	13399	67368	12946	31842	0	4138	43577	Phytochemical	0.6666667	1.1904762	0.04761905
26	C21 H25 O14 N1	516.13477	516.13556	0.06246072	516.1348	6792	8158	8042	6808	6839	9603	0	0	8081	9199	3001	0	7950	0	0	0	0	12824	9000	14278	26937	11672	0	0	0	0	0	0	0	0	0	4163	2170	2719	12943	0	0	0	0	9381	11280	0	0	0	0	55510	124371	0	0	0	7437	6944	4681	0	4518	6220	0	0	2891	3532	0	14778	5442	7066	0	3942	0	0	6736	5668	7366	0	2533	0	0	0	0	0	0	13007	0	53287	0	0	5766	6241	2278	0	2886	2873	0	2913	0	9527	8219	0	5289	10877	8804	2194	0	0	0	0	65101	3151	5985	0	0	13881	Phytochemical	0.6666667	1.1904762	0.04761905
24	C21 H25 O14 N1	516.13477	516.1355	0.11556282	516.1348	6471	6069	10434	6985	6879	13349	0	4841	8930	7095	5901	4921	14062	2584	3736	0	3120	11457	9259	14757	19894	11539	6032	3275	0	0	0	1464	2102	3219	2475	1703	2671	2643	9038	2311	3322	2252	2189	7727	14096	2100	0	0	0	61395	119954	0	2325	4428	7129	6736	8253	0	8255	3928	2993	1436	3960	2743	2159	16704	8473	7720	2362	4008	3581	2244	10607	5028	7511	4975	2540	3999	5452	1784	0	4329	1429	8375	3219	63178	1047	4572	10431	8839	2165	1237	4771	0	1446	3298	4614	10239	8032	0	7986	9816	11421	2860	4157	2965	2561	5188	87255	2504	8942	0	0	10855	Phytochemical	0.6666667	1.1904762	0.04761905
12	C21 H25 O14 N1	516.13477	516.1357	0.15243144	516.1349	41816	37383	35455	40780	61334	33985	14626	29962	77047	42501	41908	25985	131208	16491	36852	22207	38262	95409	105060	76341	92238	117836	57906	31677	9905	7726	8997	0	18382	22005	22840	14984	41218	16720	57730	24696	24690	25984	32177	47124	88717	38528	1151	0	0	137377	294504	0	20636	32072	43149	46165	45169	220	100774	76998	36162	18581	25749	28459	24115	55113	162442	61335	29336	73787	35247	34381	27184	11830	33023	18219	21676	18072	26640	19363	0	21018	36604	50544	37238	97616	13135	16740	97789	40947	29281	32675	30559	30080	11296	29131	41069	123712	72530	0	48584	56505	83604	62046	72804	37816	27669	29413	239469	29846	70898	0	16945	101365	Phytochemical	0.6666667	1.1904762	0.04761905
8	C21 H25 O14 N1	516.13477	516.1358	0.25254387	516.1349	4846	5430	2873	6833	9054	3890	1834	4570	9023	5418	8797	5500	21889	2680	3276	6696	7738	11235	14164	8997	13313	13121	6149	3463	979	1087	2178	0	1640	3673	3134	2528	2705	2780	11139	4365	2943	2875	6019	3780	8734	6870	0	0	0	11996	29770	0	3916	5512	7546	7952	6664	0	15245	15446	5705	0	3625	6129	4758	2225	21877	13118	5625	12290	5979	7764	0	1334	3635	4433	3491	2147	4075	4035	0	2626	5587	9148	5419	6687	1119	0	18001	8253	4300	6634	6814	8335	0	0	6212	14818	10599	0	8333	11858	13789	13006	15748	7920	3767	6245	8701	4567	16092	0	3214	19880	Phytochemical	0.6666667	1.1904762	0.04761905
28	C21 H25 O14 N1	516.13477	516.1355	0.1314754	516.1348	8348	9226	7687	6024	8648	11425	1132	0	8470	14279	7737	3401	8484	2301	3516	2469	0	13466	9186	21750	31633	9082	4191	2868	0	0	1442	0	2790	0	2525	1430	3438	2091	17147	2391	3555	2214	0	11825	14697	3433	0	0	0	53402	98430	0	2024	0	8548	7141	7507	0	6775	4534	3213	0	3279	2414	0	17143	6057	5657	2825	3495	3689	3917	8435	9878	16092	2508	3419	2512	2680	0	0	2968	2781	9498	1123	41825	1544	3344	6836	3180	0	2608	4744	2077	2839	5060	3478	9012	8111	0	8721	8839	10411	2421	4116	2267	2154	3529	72401	2728	6289	0	0	10400	Phytochemical	0.6666667	1.1904762	0.04761905
18	C25 H25 O11 N1	516.15	516.15076	0.07284694	516.1501	45549	41790	39677	38824	35874	24460	5772	11287	41624	188359	79737	9258	62803	21356	12375	13937	7963	52621	50462	116699	130319	85697	15294	20518	21650	66983	7185	51670	9377	6178	10813	8080	23754	9345	233218	11627	20688	10543	10781	99837	61476	15395	1444	0	0	83170	65911	0	10812	10505	37059	37212	26727	0	60332	34948	15467	16796	16098	9955	16176	57791	69712	43578	17235	46419	19813	8539	56616	92117	77115	8947	7364	7274	8346	9874	0	9370	18719	61244	14976	57255	13618	49187	44522	24563	24207	18254	18910	15345	31580	34399	39903	82533	138553	0	35375	38794	33641	32841	33589	17641	8188	20581	54884	11054	25651	0	14779	60630	Phytochemical	0.44	1.0	0.04
14	C25 H25 O11 N1	516.15	516.1509	0.15482068	516.15015	24053	27535	21862	20731	16662	11672	5886	8029	25087	103491	46316	7324	33681	11302	9664	11439	6065	22746	30012	64109	73792	57998	10988	14019	9473	46517	6801	38974	7501	4420	8074	9291	10728	6483	126263	5858	10149	7926	7560	52132	54083	7314	0	0	0	45867	51301	0	7843	7113	27182	17555	15038	0	31150	18127	9174	10678	12115	0	0	37558	31758	21051	8752	27349	11760	8155	46886	54173	54112	8788	5795	4784	4236	7635	0	5641	12240	41223	10929	26683	7263	30630	21212	12582	13147	8136	8280	15423	16914	19939	15961	49851	63396	0	29395	22073	16672	23727	20454	6506	4926	15771	38253	8548	18504	0	9437	30646	Phytochemical	0.44	1.0	0.04
26	C25 H25 O11 N1	516.15	516.1507	0.058778618	516.1501	3131	6652	4701	3566	5686	4297	0	0	6322	24711	5117	0	10073	0	0	0	0	7756	7883	12437	17114	17075	0	0	0	8036	0	2007	0	0	0	0	2711	0	20476	0	0	0	0	10389	6592	0	0	0	0	14492	12410	0	0	0	5992	3983	5879	0	8619	0	2951	2191	0	0	0	5608	10015	7655	0	7550	2346	0	10721	12487	12640	0	0	0	0	0	0	0	4709	10309	0	7917	0	4094	9167	0	2398	2429	2289	2421	2405	3649	0	14087	25046	0	4679	5571	3505	3423	0	0	0	0	0	1909	0	0	0	10945	Phytochemical	0.44	1.0	0.04
24	C25 H25 O11 N1	516.15	516.1507	0.09500153	516.1501	10089	9394	7290	8575	9498	7745	2325	1201	11299	42978	17769	2012	17996	3126	3505	1769	1613	12646	14506	18157	21781	20895	5189	3116	2120	14056	1434	5219	1567	0	0	1492	2057	1647	52477	2320	2497	1651	1172	20402	15579	2543	0	0	0	21592	24189	0	2198	1484	9081	7994	7797	0	15862	7344	3270	3451	3146	2168	2802	16441	18077	10065	3619	8598	4033	0	11907	20432	21868	3120	0	0	0	1802	0	3253	6106	16230	4688	17112	1684	9736	15378	6378	3848	5492	3329	2658	3850	6340	6154	23454	38577	0	8134	7488	9510	9664	9953	1981	0	0	22399	0	10316	0	3724	17030	Phytochemical	0.44	1.0	0.04
20	C25 H25 O11 N1	516.15	516.15076	0.079318725	516.1501	33621	35715	27968	29376	31635	27025	7189	10243	41292	148476	59280	8974	61121	18067	13615	9899	6218	33686	42287	88557	98335	80767	15097	14738	9405	53456	6755	44691	10050	2882	8990	4968	11852	9329	143112	4989	15702	6273	7056	67832	48240	12166	1343	0	0	79341	75482	0	7994	7035	30624	32529	26783	408	42215	33388	15366	12552	9768	6194	10459	46442	51961	31678	11213	43838	20920	6343	50558	79857	62105	6733	5085	3517	4488	4376	0	6798	17179	59583	11582	47704	8553	53869	35434	24243	19598	14250	12926	13809	23783	26840	21403	72074	97324	0	30709	34946	35715	26177	32415	8628	5405	11658	48129	13112	25389	0	9438	59519	Phytochemical	0.44	1.0	0.04
22	C25 H25 O11 N1	516.15	516.15076	0.10101959	516.1501	16901	12467	13251	19392	18732	12144	3869	5120	25265	78303	33581	4009	30925	13995	4595	5996	3165	30295	21539	47121	54516	46634	9396	7207	9503	30026	2640	22375	5048	2743	4045	0	7560	3914	89577	2798	10221	5619	2859	42624	22797	3163	0	0	0	46279	48026	0	4453	2817	20469	20463	16785	0	24148	22282	9463	5026	7912	0	5725	25020	35174	21027	7082	22930	9004	2828	32021	49360	33726	2197	0	0	2501	2429	0	4793	10893	28251	9760	32534	3645	23800	27247	11416	11652	7726	9053	4073	9958	10952	12318	40190	59910	0	22946	19633	21510	20889	17004	5019	5010	6663	39196	9997	25938	0	7095	32900	Phytochemical	0.44	1.0	0.04
26	C22 H29 O13 N1	516.17114	516.1719	0.09079438	516.1712	6279	7679	6549	6938	3397	6363	0	0	4670	19788	2590	3038	8905	0	0	0	0	12082	7462	21370	24621	8352	0	0	0	0	0	3768	0	0	3692	0	3812	3691	18263	0	4501	2484	0	12310	7431	0	0	0	0	41192	49816	0	5031	0	7153	7502	4627	0	4250	0	0	2379	5990	0	5562	10388	6094	3801	0	3529	3534	0	9385	12744	10609	6005	2550	7879	0	3726	0	3509	1926	0	2659	26607	3495	7343	0	0	0	0	4548	2528	1294	4670	4613	6000	9948	0	7189	5983	3857	1971	0	0	3483	5416	38050	3269	0	0	0	9838	Phytochemical	0.59090906	1.3181819	0.045454547
16	C22 H29 O13 N1	516.17114	516.17194	0.065644726	516.1712	171386	161295	160562	137138	133064	136337	86936	181621	178864	237793	123879	89716	258355	65191	180129	123619	82002	276633	253813	351450	339465	226846	168891	166625	101397	101201	62682	76738	169160	142993	145518	140086	154431	111307	282078	171972	153784	113938	74602	220138	144323	115990	5451	461	289	613753	561705	604	128900	168058	143531	160479	126464	811	288405	136142	79586	114499	167936	66116	167911	183406	200185	153179	72277	147660	123381	68879	142275	162933	132579	162103	138906	167649	90658	125064	750	118451	107619	163343	88549	411361	87982	114998	162001	109285	89051	82944	101409	47633	64702	126204	211319	151911	252000	1541	149993	222401	138099	81094	115309	165463	93383	177478	500197	128790	158034	438	76392	209329	Phytochemical	0.59090906	1.3181819	0.045454547
12	C22 H29 O13 N1	516.17114	516.172	0.07210688	516.1712	72811	66554	68483	61615	43762	47562	52947	113111	66743	98942	74557	48180	98398	25247	72797	67160	80433	92655	111474	146293	169438	103986	94919	73632	46784	37551	30442	29464	81197	70205	65711	58008	78535	49928	150053	69071	63491	64347	54805	99986	112973	51524	1714	0	0	231143	341981	0	53719	77904	68885	62401	44046	0	115020	60237	33513	66378	91728	65571	59547	88284	84466	67441	33605	66663	49110	64324	62797	54948	67669	59639	67289	80726	53599	53646	0	54763	50271	98101	59798	146011	43104	53822	73401	56505	52090	33107	45173	53860	26826	55837	88252	94319	84079	599	71284	103834	66667	43043	58967	83166	51349	94607	304902	53526	63955	333	42861	88285	Phytochemical	0.59090906	1.3181819	0.045454547
10	C22 H29 O13 N1	516.17114	516.172	0.09557429	516.1712	36927	30947	32897	31176	20391	18889	17302	47214	27664	47770	33532	24308	39791	12473	30677	35033	34006	42989	44479	51680	60205	45509	34251	44835	14672	20116	22283	11613	32616	37996	23577	31455	29407	26220	53984	37102	33629	25891	28332	42055	46323	26932	773	0	0	78660	128836	0	31701	34743	36133	33537	22106	0	45604	26099	13684	33108	29332	32371	28270	30231	35146	31525	12411	28584	19100	28944	39145	23932	33936	29724	26307	36276	25362	29773	0	20918	24377	29078	23646	48915	20966	17937	31574	24484	22722	19308	17442	24521	9595	21726	43618	33501	48253	0	32056	44671	28333	21107	25958	43201	21949	47736	86558	26040	31433	0	17443	34159	Phytochemical	0.59090906	1.3181819	0.045454547
22	C22 H29 O13 N1	516.17114	516.1719	0.056849882	516.1712	71457	57366	66604	64364	61328	70322	15292	86872	73947	103392	45123	41804	67584	24790	58532	38243	35149	97076	77370	119992	142193	58410	52782	62334	46657	70144	31086	38489	63800	42855	63436	34816	45942	54324	107696	54250	55654	41371	23854	88366	85960	30942	0	0	684	376841	354002	0	40593	54410	65624	57142	48388	926	68838	54306	28212	37635	55244	27076	40106	94602	63236	58626	34952	34652	28664	18841	83142	115175	73515	54326	50085	71632	36008	39528	914	47293	44442	52770	46216	244399	35134	54841	56158	47400	38940	34151	32348	32617	11674	45142	48976	57909	94570	0	46010	76368	66310	22444	30716	44640	44945	46139	283300	57676	55976	0	31524	85774	Phytochemical	0.59090906	1.3181819	0.045454547
28	C22 H29 O13 N1	516.17114	516.1719	0.1228381	516.1712	9180	5685	7349	5212	4180	4771	2355	4891	4079	19808	7299	2376	3129	1485	3157	4304	2623	5974	4161	26987	24025	6128	3579	5952	2542	4419	2588	1927	3297	3614	3219	3018	3406	5397	18761	4388	4889	2149	2834	11551	8390	0	0	0	0	34906	38498	0	3150	4160	7198	6033	4198	0	4647	2924	1943	3766	3227	2628	3209	10572	5680	3531	1135	4098	2767	2792	8338	18356	11195	4932	2446	5570	2371	3428	0	2682	2358	2359	1345	20554	3396	7523	0	2041	1851	2010	1997	0	4288	4764	3070	5071	7987	0	6437	8235	3224	1672	2671	0	2864	5228	27479	4130	4387	0	2550	6212	Phytochemical	0.59090906	1.3181819	0.045454547
10	C26 H29 O10 N1	516.1864	516.18726	0.13027307	516.18646	10288	11142	8341	9551	5675	2976	4072	4393	6442	47029	15231	3224	8224	3866	3258	0	4161	7102	7766	32541	35467	20381	3899	4933	4706	19311	5346	12452	5039	2784	3702	4418	7770	4242	44115	4207	4866	3298	5273	23087	22997	4921	0	0	0	14210	15570	0	5441	4171	10739	5794	5499	0	10282	4086	3655	9189	0	2821	0	13216	9603	5323	2901	5629	4266	4686	14329	29960	27507	4724	3960	3912	2706	2809	0	2451	5361	7805	3487	7042	3222	13135	6104	2274	9731	0	3901	10191	6181	7697	6420	14321	22349	0	9869	9268	4435	5084	5220	6096	3851	6325	0	6099	4336	0	4664	7048	Phytochemical	0.3846154	1.1153846	0.038461536
12	C26 H29 O10 N1	516.1864	516.18726	0.13945666	516.1865	14218	13295	15578	15505	9342	7450	4844	11719	11175	51203	23949	6468	10617	4451	6840	12317	10196	10478	15600	51293	50009	33481	10513	14515	9335	27325	3542	26807	9980	6515	6291	9608	10724	7671	77932	8412	6314	4944	6464	37045	40091	7103	0	0	0	26976	18369	0	5682	6215	15375	11704	7598	0	15317	5375	4305	9468	4775	0	0	26384	15653	12977	3243	10236	8605	14356	25058	42562	44895	9366	9034	10846	7290	6151	0	7477	15650	0	7538	12801	5684	24020	9147	5266	12809	5798	7182	26198	12641	14547	16916	26333	25468	0	15756	16640	7347	10013	6486	5310	7082	11667	0	9397	6643	0	8478	13981	Phytochemical	0.3846154	1.1153846	0.038461536
24	C26 H29 O10 N1	516.1864	516.1871	0.05568322	516.18646	14399	17898	12459	14828	14531	12006	3562	7394	20793	53425	26242	3264	27772	7453	5417	8952	2993	20599	19713	35237	40749	18942	10425	10003	6637	41336	3927	21187	5732	3859	7520	7379	8274	3705	61586	3066	8413	4258	5649	33252	26988	5253	0	0	0	28483	30193	0	6083	4104	15840	16693	11007	0	16056	11210	6640	4415	7442	4497	10011	23321	27748	15329	5359	19186	7746	4500	36895	57525	53817	4721	3849	2887	4097	4651	0	5585	9807	13088	8388	18243	4829	21739	19899	7009	5447	7393	8122	5067	9986	11685	10046	18890	27905	0	16761	14977	12115	13905	13838	6820	3791	8820	19081	7078	11547	0	7008	25600	Phytochemical	0.3846154	1.1153846	0.038461536
26	C26 H29 O10 N1	516.1864	516.1871	-0.033079293	516.1864	5086	6638	7913	6531	5645	3727	0	0	7566	24255	11259	0	12912	0	0	7163	0	9414	9544	15848	18318	14312	0	5112	0	15729	0	6350	0	0	0	4113	2510	3414	20400	0	4213	0	2520	14836	11452	0	0	0	0	11625	16890	0	0	0	8256	8943	4722	0	9797	0	0	2845	0	0	0	10427	10933	5151	0	10064	5919	0	21194	31947	29198	2707	0	0	0	0	0	0	5079	6880	3321	6139	0	6950	5991	0	3693	2888	0	3822	2326	5943	0	7428	19168	0	5411	7798	6020	5752	5246	0	0	0	6700	3921	6302	0	0	12193	Phytochemical	0.3846154	1.1153846	0.038461536
22	C26 H29 O10 N1	516.1864	516.18713	0.03588711	516.18646	34074	34300	30067	31129	38888	31811	8174	16740	37777	121785	63599	8954	45236	25991	15636	22793	12728	51640	42154	92180	90714	52950	19208	21786	20239	79565	6333	44905	13615	9458	12252	13581	23625	10581	126516	11814	20830	13518	10255	64462	48630	17243	0	0	0	59161	57411	0	15300	12913	33393	38684	28737	0	42506	32372	12892	22202	15878	12776	15686	54420	40424	28061	11265	37089	23549	8739	77852	116051	110162	15778	9730	7658	5546	13744	305	12268	21395	35315	22456	39068	12461	47413	41379	18456	16907	19523	17613	15445	25537	40519	34820	46091	72432	0	30871	33618	29298	28574	32468	22279	9455	25707	47989	17455	28549	0	10265	59050	Phytochemical	0.3846154	1.1153846	0.038461536
8	C25 H29 O9 N3	516.19763	516.19855	0.06354762	516.1977	23377	21134	19037	19309	11764	7998	11030	18806	9562	20161	10082	13032	12450	5478	11289	26530	27538	8485	15676	0	21367	27178	16611	28804	13093	4836	13133	7648	15949	0	14952	15866	23078	0	21180	17791	24556	11728	32841	26624	26320	10704	0	0	0	23052	26164	0	18739	20490	15672	18676	10059	0	14047	10857	7426	22401	8692	15050	21897	13982	12334	11338	5785	12910	11730	31266	0	14453	12974	0	16429	13456	17508	0	0	10393	20985	7612	12397	10771	10600	14380	8775	6415	18383	12048	13287	37835	14499	19688	34392	11283	22450	0	21960	21174	8164	12095	12693	22996	9773	27464	12455	18469	9824	0	16318	9680	Phytochemical	0.36	1.16	0.12
12	C23 H33 O12 N1	516.2076	516.2084	0.06335881	516.2076	41762	37842	45143	38869	25895	24346	43737	80859	35385	62317	37693	39966	41324	11903	54698	48266	56882	40775	58390	90330	80389	60867	60308	73399	43284	36661	22686	36622	64703	55499	51069	39408	54740	35735	89404	59259	43957	46694	38468	56813	43660	28127	724	0	0	80823	73778	0	39793	60210	37021	40322	29338	248	57756	30392	20227	36320	71712	40861	46707	49508	44008	28470	19528	34488	29775	35487	40754	39799	32307	42519	44674	63061	38121	33885	0	43393	43926	23983	43288	44504	37760	33800	36178	25118	38305	21546	27480	27529	21610	40141	61293	23628	37048	485	42722	68135	33901	19105	30485	69335	34970	55684	83154	40036	35568	0	33618	40692	Lipid	0.5217391	1.4347826	0.04347826
10	C23 H33 O12 N1	516.2076	516.2084	0.07577593	516.2076	17970	22491	19306	21771	10177	13213	17065	32741	12213	26267	14243	14265	15763	4838	21946	31700	18019	17331	17966	34136	31613	28061	23974	36117	15665	16421	10939	7542	28337	24572	22653	22881	26908	19917	38541	34534	22186	15354	17174	24690	22043	14082	0	0	0	32185	31419	0	20739	31186	21551	20735	9577	0	24578	12442	6902	24227	27559	16504	37302	16412	14346	14305	7235	13291	10511	19589	17007	11685	14749	21455	22135	26718	16145	21681	0	17335	21014	13363	16930	18209	17966	12912	15413	10869	17185	10576	11700	11176	11599	16277	30344	9976	21435	0	17372	22865	9125	11092	10637	28009	12848	35008	18108	18131	12113	0	14317	18376	Lipid	0.5217391	1.4347826	0.04347826
18	C23 H33 O12 N1	516.2076	516.20825	0.057668798	516.2076	226057	196362	202380	212685	145856	172552	123695	320200	203911	405769	139384	118085	317862	86490	274303	203857	89962	305782	318063	458493	352878	266251	240857	271418	253478	143929	93188	113177	311099	238519	240911	232447	250672	215025	462166	268092	276515	174884	79628	286753	100600	134835	7179	498	789	508299	227251	555	218499	260070	214673	215479	141071	969	415480	153120	96766	192732	271046	66808	245635	208646	238535	208219	89791	172315	151747	82037	131249	247778	119478	246284	211802	284868	117555	222074	644	182247	151132	104758	156495	247543	149021	143721	168166	162832	126106	95368	142561	62583	171855	264400	306872	124524	232108	1462	214072	254049	151445	98235	109492	244874	139593	281717	253373	173996	140986	472	124055	258916	Lipid	0.5217391	1.4347826	0.04347826
16	C27 H33 O9 N1	516.2228	516.2235	-0.026278546	516.2228	39403	30671	27447	28671	19631	15326	21099	36679	18980	56328	40542	18618	11455	15277	20494	39947	26242	15128	32700	82160	73331	43155	23486	41415	25880	66095	20366	41001	24496	25035	21489	27712	36421	18326	74510	30038	38306	18430	33320	65161	54081	15498	525	0	0	36876	35650	0	31233	27831	32433	42318	17989	0	19450	15662	12344	36304	24036	25873	32444	32227	18698	15193	10081	23760	19894	28390	61511	73011	84297	23562	27081	25114	30080	25800	0	19618	31521	24279	17625	18379	25345	41001	18172	14878	33164	14880	18741	72826	48289	50821	52710	31435	52065	0	33799	38733	15675	11322	19881	35803	16887	36315	21724	43595	16031	0	28525	23102	Phytochemical	0.33333334	1.2222222	0.037037037
28	C27 H33 O9 N1	516.2228	516.2234	0.06942429	516.22284	4299	3506	4678	3447	3835	3182	1052	3029	3702	8759	5706	1868	6101	3141	0	2709	0	4881	6073	9614	8527	4077	2916	4431	0	18726	1718	7491	0	0	1894	2381	3297	2635	10279	0	4303	1246	2600	8356	7725	0	0	0	0	3633	4705	0	2558	0	3588	3080	2979	0	4149	4202	1262	3601	2184	1615	4086	3058	4114	2117	1120	2732	1857	2143	16114	21393	27763	2657	1803	0	0	2078	0	1306	3078	2498	3190	3240	1820	4244	4633	2797	2725	1310	2248	1523	4879	4339	4395	4047	6187	0	3716	4227	1983	6877	3413	0	1221	0	0	2040	2326	0	1128	3948	Phytochemical	0.33333334	1.2222222	0.037037037
22	C27 H33 O9 N1	516.2228	516.22345	0.028362967	516.22284	369061	335873	353902	336400	317738	258831	146612	346009	366732	1034698	417978	153192	403611	215937	282569	291238	166691	402280	392242	738980	712505	382536	279214	346508	295240	737030	131565	381829	313077	229003	270572	302232	339036	251628	807976	262153	373439	208133	163950	503880	328622	188648	0	0	957	377036	281950	0	262419	239336	351837	336172	264282	2483	437807	307269	170323	304719	287415	134886	282166	355765	423401	311489	154133	315727	220997	152366	594725	1038783	878906	292139	242697	263515	149756	229593	0	214212	297848	189195	259458	220905	209171	304619	319178	210007	293960	174543	224714	200043	345755	394652	438076	226185	382207	3048	325294	360189	235708	246937	264867	337394	180373	315452	217693	298026	263840	0	198422	435995	Phytochemical	0.33333334	1.2222222	0.037037037
24	C27 H33 O9 N1	516.2228	516.22345	-0.004818487	516.2228	38582	28533	35302	31586	30311	24604	11240	20393	29062	80297	54657	11609	43455	21212	18389	56304	11065	35566	45490	79624	82637	40890	25012	30755	17841	98780	6954	45403	17029	17769	14520	17825	20142	19130	90117	15026	31012	16201	28648	60999	48730	18215	0	0	0	38828	40836	0	22788	17914	32184	32259	21990	0	31895	30582	14044	26846	18465	12550	30896	39444	31916	23942	12404	33704	19003	15212	87039	122424	117800	20652	17990	12882	11255	17481	0	13159	26111	24750	17192	26698	15896	39386	40785	16697	25520	20523	20273	22152	29421	34479	44562	27534	35252	0	31026	31289	23158	29319	32192	27938	10043	28533	27330	25169	27922	0	19123	33277	Phytochemical	0.33333334	1.2222222	0.037037037
10	C27 H33 O9 N1	516.2228	516.2237	0.1641417	516.2229	8044	6773	7566	7132	5664	3442	2189	7862	3731	24807	12017	2953	3267	2337	3346	5134	4821	4101	6651	30016	27638	9354	4201	9024	4835	16525	2774	11278	8929	4699	4125	6808	7469	5669	29108	5991	8576	3142	4381	17590	13641	2596	0	0	0	8982	8757	0	5820	6302	7525	6756	3909	0	4485	2284	2469	5815	0	2508	0	6603	2562	4739	2982	3388	2932	9069	10710	31374	23200	4565	4495	5963	4504	4195	0	2265	4148	0	3242	2770	1852	12802	3736	1762	4401	2818	3020	10049	5811	8150	10194	7601	14534	0	7155	8910	3160	3026	2003	5148	2513	6190	0	4730	1845	0	4216	2102	Phytochemical	0.33333334	1.2222222	0.037037037
26	C27 H33 O9 N1	516.2228	516.22345	0.024107466	516.22284	9812	10131	13527	9573	13363	9602	2022	8086	10199	28797	16440	4882	21709	4612	0	8670	0	14237	14587	24745	27873	10317	6803	13671	0	35439	2843	16835	0	0	6958	6001	11713	8601	31015	0	8807	4736	5247	24256	20271	0	0	0	0	11499	13005	0	6408	8036	12230	10530	11356	0	9968	9654	4228	9118	6302	0	8599	11922	13176	9639	4574	12906	9325	5856	38175	47229	58657	7898	7237	0	0	0	0	2907	9344	0	6877	5946	4533	14083	13292	0	10000	4654	5178	7024	6542	9673	15506	7773	12863	0	10884	12248	6592	10297	16893	5674	0	6039	6899	9170	8834	0	4205	16243	Phytochemical	0.33333334	1.2222222	0.037037037
2	C21 H33 O10 N5	516.23004	516.231	0.29493	516.23016	1629	747	1269	1839	782	0	602	0	373	348	0	901	1430	0	1138	0	1590	1833	500	0	516	652	472	962	0	0	0	10311	1341	751	1517	1494	3280	964	439	1316	1632	1042	0	0	0	0	0	0	0	351	0	0	1297	524	0	663	0	0	662	422	0	1486	0	0	580	0	611	353	0	835	782	2049	0	0	0	1578	1747	1230	0	0	0	970	1023	45158	683	0	0	0	349	386	780	930	915	1753	14152	5669	3116	4998	0	0	2421	1467	0	360	327	741	788	487	0	1808	540	0	857	870	Peptide	0.47619048	1.5714285	0.23809524
4	C21 H33 O10 N5	516.23004	516.23083	0.30920112	516.23016	992	669	829	515	0	651	392	0	373	0	1894	0	504	840	592	0	0	474	322	0	0	660	0	638	400	0	0	8516	0	0	0	0	1220	0	0	660	0	555	889	0	0	0	0	0	0	0	0	0	0	0	1442	1143	0	0	467	273	0	604	0	0	642	0	350	460	0	0	0	0	0	0	0	0	0	596	0	451	0	0	0	49863	478	0	0	0	647	287	0	0	551	1511	43627	14896	0	4466	1483	0	1439	1215	0	415	0	715	710	0	0	874	0	0	723	0	Peptide	0.47619048	1.5714285	0.23809524
8	C21 H33 O10 N5	516.23004	516.231	0.3978255	516.2302	1591	0	1930	1284	0	749	0	1075	735	0	0	0	0	0	954	0	0	0	0	0	0	0	1239	1301	0	0	0	5268	1865	762	1034	0	1847	2784	0	2459	1136	599	0	0	0	1087	0	0	0	0	0	0	1954	859	921	0	0	0	0	0	0	1342	0	0	0	0	0	0	0	0	757	1128	0	0	0	1916	4556	0	1034	1420	0	0	0	21047	850	0	0	0	0	0	1053	670	760	1147	52556	22387	2597	2173	2441	0	1895	1351	0	0	0	1602	0	0	0	873	0	0	0	0	Peptide	0.47619048	1.5714285	0.23809524
8	C26 H33 O8 N3	516.2341	516.2349	0.11867526	516.23413	9044	9262	5555	12350	2780	4135	5251	8799	3116	8961	3315	3442	2742	996	8413	17790	3667	2850	5646	14286	9800	17640	9605	21738	12757	4194	4685	3044	9895	6021	8297	9716	11095	4469	10798	6702	12610	7468	5201	9061	7219	5177	0	0	0	15590	6771	0	8555	7206	6392	10478	3288	0	3588	1124	3226	12028	3612	1023	15761	4660	1009	3204	1768	1871	4372	6051	0	5700	4164	9503	6780	5119	4545	8550	0	5180	12328	7647	9705	5681	6361	7066	0	0	10025	2755	3990	15609	13724	16809	37771	10148	14293	0	9218	11014	1185	1170	2402	7943	4835	12283	0	15495	0	0	14748	1941	Phytochemical	0.30769232	1.2692307	0.115384616
10	C24 H37 O11 N1	516.24396	516.2448	0.13415867	516.244	4794	5125	5702	5986	2156	4096	5202	9833	3431	7311	0	3338	3114	0	6431	6562	5594	4854	2336	7318	5804	4379	6815	7736	7227	2552	4551	0	10906	10864	4967	8730	11685	6044	7298	9500	7342	5055	4456	5244	0	4060	0	0	0	5007	1880	0	9310	8026	4965	6056	3054	0	6615	2370	1942	7578	5607	3551	0	2300	4159	2784	1677	3662	2749	5693	0	2822	1748	7936	6878	9516	4668	7632	0	4886	6759	13575	3325	3715	3686	3069	2477	3539	5902	1840	4254	5053	21204	17509	9863	3451	3609	0	7213	6390	1529	3742	1885	8882	5350	10181	0	5937	2394	0	5128	4352	Lipid	0.45833334	1.5416666	0.041666668
14	C24 H37 O11 N1	516.24396	516.2447	0.005345331	516.24396	32613	35276	28961	24689	13781	18935	28902	52068	21214	20863	14600	27724	28618	8758	40282	40332	32591	25746	29794	47375	30830	21119	34414	50218	39618	19192	24367	12501	46154	45056	34739	35022	35025	27594	22802	49789	29372	31016	27816	19109	15315	28136	0	1108	0	40381	29947	0	29034	42726	28186	26299	17835	614	31155	22656	11922	33321	46271	20979	41505	15927	19843	25231	11950	21985	22395	28062	19044	20252	15829	31607	27928	54109	30796	31770	0	29112	32402	0	27252	18822	29800	15674	26612	16396	27430	12874	22748	15090	19851	24174	55270	8728	18706	0	26510	37826	12195	16338	23313	38579	20083	52350	0	23286	20310	0	24713	19032	Lipid	0.45833334	1.5416666	0.041666668
16	C28 H37 O8 N1	516.2592	516.25995	0.04102178	516.2592	7528	11617	11576	10047	4154	6502	8668	16660	4159	19981	10390	7663	2794	3684	8120	16321	10846	0	4920	25079	22710	10056	7137	9509	7372	16619	8038	9658	9214	8149	8102	12691	10627	8808	10603	11029	13172	6643	13486	15601	17362	7663	0	0	0	7926	12223	0	14566	15749	9917	10207	7355	0	5117	4403	3874	11110	2902	7412	12192	4252	3495	4000	2100	6587	6173	18028	17717	22590	25166	6184	10191	11463	13558	7089	0	5562	11082	4639	7827	2821	6794	12995	2560	3484	14274	7092	4852	0	19779	11065	0	10071	12693	0	11043	9861	4384	3447	6262	10201	5520	12422	0	0	3163	0	11357	3379	Lipid	0.2857143	1.3214285	0.035714287
18	C28 H37 O8 N1	516.2592	516.2599	0.00941158	516.2592	29219	24370	21126	24831	12786	8157	12998	27052	13794	26102	21595	16199	9779	15131	14375	40619	29379	13421	24885	44062	44594	18241	23797	25219	20345	51301	22373	26310	19493	24086	14225	27855	25493	19226	37252	24366	22722	18001	28750	31913	34946	13307	0	0	0	19548	17340	0	19430	25668	24918	22214	10658	0	15503	10903	10721	28788	12825	20986	28919	17083	7272	13755	10142	12999	13698	35716	30179	53344	54856	14885	17321	23255	31737	16682	0	15023	26143	20789	15371	12909	16558	20157	11075	11633	30534	13214	14363	41374	34910	29492	41801	16791	22989	0	20320	20780	7593	12658	12212	24521	16540	29958	10890	23688	8721	0	17986	10959	Lipid	0.2857143	1.3214285	0.035714287
28	C28 H37 O8 N1	516.2592	516.25977	0.007536092	516.2592	4826	4838	3573	4153	5745	1402	1329	4013	3854	4374	4794	2351	6696	3649	0	0	4231	3598	5093	5499	6997	3043	2366	4141	2511	21643	1501	6471	2872	2705	2566	4318	5396	3010	8748	4489	4016	1746	2477	6328	7270	0	0	0	0	3738	2733	0	3353	2906	3564	3620	4469	0	3837	4715	1898	3525	2044	2615	3595	2408	3666	3035	1613	4996	3787	2432	19291	18815	31917	2558	2156	0	0	2009	0	1620	4194	2867	1681	2497	2373	4359	6869	0	2792	2009	1972	4753	3626	3647	4745	2163	0	0	2681	3499	2694	7816	6056	5272	1123	3575	0	4137	3200	0	1913	4181	Lipid	0.2857143	1.3214285	0.035714287
26	C28 H37 O8 N1	516.2592	516.2599	0.028303456	516.2592	23266	22736	26241	24839	24124	11996	6974	17372	18284	33808	31849	7896	34088	14463	11670	20448	16285	22939	33489	43826	46459	23465	15809	22664	15595	80959	5940	33338	23991	12560	13107	14787	24826	18566	33101	22360	24864	12643	10399	36126	32840	14504	0	0	0	17642	21376	0	20431	11304	22044	18135	15365	0	26020	23023	13215	17905	14111	10454	24133	24401	20979	21325	5674	23276	18027	15765	85262	80844	90485	20547	14795	13103	11316	17919	0	14427	22356	12757	14325	15208	12450	26449	26926	8018	20212	14198	13812	23214	22386	24803	28426	14374	17342	0	23877	28603	14756	27947	33845	22229	9772	23011	13898	18523	22233	0	12635	22280	Lipid	0.2857143	1.3214285	0.035714287
14	C28 H37 O8 N1	516.2592	516.25995	0.06770844	516.2592	8053	4446	4683	9425	2290	2687	5005	5665	2314	11828	8261	3994	2278	2583	6318	6714	6304	1495	6703	21204	12743	7432	6282	6627	6376	18517	4312	15098	6756	5442	4227	0	11753	5559	18565	10034	6576	5016	7696	10156	5995	2367	0	0	0	7250	5229	0	8979	5995	7118	7566	1124	0	2345	0	1302	9674	0	0	0	4264	0	2051	1686	2021	3458	6889	0	19099	15880	4904	4147	5167	5599	5392	0	3670	5815	0	3612	1517	2378	8614	0	0	5963	2058	3589	9538	14558	2763	9695	3966	11872	0	7065	8133	1815	3202	0	7742	2400	8811	0	8052	2300	0	3614	0	Lipid	0.2857143	1.3214285	0.035714287
10	C22 H37 O9 N5	516.2664	516.26654	0.37172732	516.2666	0	1027	1201	0	0	0	0	0	0	0	0	767	0	0	1180	1320	0	0	0	1696	2130	0	1061	0	1253	0	0	5801	0	0	0	0	0	0	0	912	1355	0	0	0	0	1139	0	0	0	0	0	0	1614	0	0	0	0	0	0	0	0	1749	0	0	0	0	0	0	0	0	0	0	0	0	0	1390	0	0	0	922	0	887	0	10147	0	0	0	1266	0	0	0	0	982	2505	44279	12640	2785	1242	0	0	0	0	0	0	0	0	970	0	0	0	0	0	847	0	Peptide	0.4090909	1.6818181	0.22727273
4	C22 H37 O9 N5	516.2664	516.26733	0.28048348	516.26654	1913	1912	1245	745	339	4484	0	875	0	0	0	0	0	0	344	0	0	548	0	0	0	0	0	0	0	0	0	12495	0	0	0	0	507	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2013	1426	0	0	0	0	0	455	0	0	0	0	0	0	0	407	0	0	0	0	0	0	0	447	0	0	0	247	0	189348	384	0	0	0	0	0	0	0	404	0	153261	50535	998	10460	1318	0	1820	2016	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4090909	1.6818181	0.22727273
2	C22 H37 O9 N5	516.2664	516.2676	0.3813271	516.2666	0	0	0	0	0	0	666	747	0	0	0	323	498	270	681	0	0	0	0	0	0	0	0	618	282	0	0	2863	599	1063	1060	518	1218	964	0	1133	1233	319	715	0	0	0	0	0	0	0	0	0	0	732	0	936	0	0	413	279	0	0	0	0	0	0	0	375	0	0	0	601	0	0	0	982	1153	717	0	486	0	962	446	39158	327	0	0	0	0	344	409	0	0	0	6292	3373	0	1466	0	0	553	0	0	0	0	0	0	0	0	0	0	0	494	0	Peptide	0.4090909	1.6818181	0.22727273
6	C22 H37 O9 N5	516.2664	516.26715	0.14467582	516.2665	4345	4898	5776	5640	0	5328	0	759	0	0	3778	0	0	0	0	1647	0	840	0	0	0	670	0	0	804	0	0	46490	945	0	0	858	1180	0	0	0	818	590	0	0	0	0	0	0	0	0	0	0	1985	0	4966	3804	0	0	0	0	0	994	0	0	1732	0	0	0	524	0	0	0	0	0	0	0	0	0	0	0	0	0	0	261062	0	0	0	0	0	0	0	0	0	0	343392	114828	0	26342	3115	0	3955	5930	0	0	0	0	0	0	0	2354	0	0	0	0	Peptide	0.4090909	1.6818181	0.22727273
8	C22 H37 O9 N5	516.2664	516.2672	0.38990536	516.2666	0	1678	2162	1409	0	1926	0	0	0	0	2115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23771	0	0	0	0	0	0	0	0	1121	0	0	0	0	0	0	0	0	0	0	0	0	0	2062	2018	0	0	0	0	0	1162	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	95369	0	0	0	0	0	0	0	0	0	0	208696	84485	0	13720	1714	0	1924	1425	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4090909	1.6818181	0.22727273
20	C25 H41 O10 N1	516.28033	516.28094	-0.052899186	516.2803	39333	31574	39509	36396	21842	26868	40192	47223	39445	21357	16475	24682	40488	14791	49471	36080	21477	36094	62898	37646	18048	19293	44226	49754	42772	8153	30040	17482	54589	39513	43707	45371	50339	40669	29017	40966	47554	29299	17293	13781	4137	24249	681	0	0	25730	8905	0	42433	36848	33082	29450	26217	0	64074	34841	13805	49408	45079	9460	40524	16152	34112	31965	19750	38006	32172	17108	4695	14107	6042	35053	37325	50586	23309	35918	0	33352	30353	8214	24512	9949	53631	24659	29847	29623	32022	17021	27135	11182	44812	43088	60194	11103	14779	0	30147	41683	18490	20113	29583	50650	26303	40581	19127	36287	25720	0	20573	36940	Lipid	0.4	1.64	0.04
18	C25 H41 O10 N1	516.28033	516.281	-0.022995012	516.28033	12978	12323	9604	13323	10459	9179	16181	25809	11963	7950	6964	14763	16954	7075	23276	24843	11842	14651	32860	11302	14873	8969	19712	28056	16967	4470	17350	7177	26334	15682	19507	28142	22991	15022	12526	29028	20751	16210	11287	4647	4195	13044	614	0	0	10667	5317	0	26585	22821	14367	17668	9599	0	27006	12721	9039	19511	11306	5617	19861	7481	13023	13232	8812	15155	11400	13281	2408	5348	5065	16840	18694	28812	18292	15420	0	18726	16452	6285	13378	5058	24285	10015	19444	14380	21483	7664	11174	11609	15808	16421	28537	3133	7240	0	11411	17270	10673	10322	18835	26315	12565	18662	8318	14283	14082	0	13996	15303	Lipid	0.4	1.64	0.04
24	C25 H41 O10 N1	516.28033	516.28094	-0.01836353	516.28033	17742	19248	19339	13187	14458	18431	15666	23464	20332	30662	8072	6013	29267	11639	27321	13806	5243	39814	46234	30293	15807	17044	14049	17210	27853	2613	9330	7111	29785	20169	25249	21945	26986	18514	44449	25292	46921	15001	6039	18107	1495	12335	0	0	0	11434	2004	0	20194	14328	21418	16910	10800	0	51789	15800	7928	15591	29486	2077	17303	9556	33786	21634	8001	22305	17935	3642	0	12087	2449	21578	20414	24010	6932	20359	0	16271	10031	3141	10692	6107	19372	8631	10815	8025	12281	5722	11668	3135	38730	40148	33875	6044	8336	0	19009	19139	7758	9368	8939	16418	10356	19594	9797	16825	9805	0	10816	36680	Lipid	0.4	1.64	0.04
26	C29 H41 O7 N1	516.2956	516.2963	-0.00133969	516.2956	32476	30893	33376	30584	40486	18177	12676	37029	24509	32287	42029	13861	22963	19773	24378	39419	27592	21212	42306	60568	48377	25144	23919	29626	30510	110402	15495	0	35547	33544	33120	30888	39249	29567	37422	34336	35478	23509	23634	42200	43607	27269	0	0	0	30150	26192	0	28447	30273	35260	30042	30977	0	40792	29384	11561	37875	18863	19322	36335	22260	22643	27092	12125	25197	23050	26941	100392	89871	86419	20216	28133	30001	16726	24623	0	23034	29459	18646	19999	19797	23479	33500	30981	20933	35613	22202	22817	26104	29774	33663	39139	25542	17703	0	30222	40501	20122	38914	39061	43026	14498	37994	18458	28673	25929	0	22373	24074	Lipid	0.2413793	1.4137931	0.03448276
20	C29 H41 O7 N1	516.2956	516.2963	0.07831802	516.2956	7603	7343	10993	6463	6837	3852	8958	6828	5081	7312	11499	8366	4628	5888	7894	17078	15164	2202	7010	13939	9549	4341	7464	9766	7689	16961	9075	9476	13096	11717	8135	11073	12201	10135	4670	12068	13941	6226	14832	4674	6800	6566	0	0	0	5594	5499	0	10723	10802	7661	7355	5721	0	5103	5612	6247	13584	4953	10516	13995	4589	4006	3846	2691	5008	4804	22552	14482	13276	13487	4914	9807	7072	15277	11789	0	4983	8279	8148	7243	3589	7046	0	5018	4738	12962	6446	6529	21024	10032	6917	16216	4331	3405	0	3139	9567	4836	5921	4772	16359	7855	12494	5064	12826	7173	0	10249	0	Lipid	0.2413793	1.4137931	0.03448276
28	C26 H45 O7 N1 S1	516.29895	516.2991	0.11064957	516.299	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3193	0	0	0	0	0	0	0	0	4236	0	0	0	0	0	0	0	0	0	1668	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1991	20379	3572	2010	0	0	0	0	0	0	0	0	0	65784	0	0	0	0	0	0	0	0	0	Organosulfur	0.26923078	1.7307693	0.038461536
20	C22 H45 O12 N1	516.30145	516.3021	0.035907533	516.30145	5831	8092	4332	8987	12837	1931	13403	2434	10757	0	2530	5286	6854	6847	5206	8978	19069	8798	8405	2440	2608	3697	6556	5692	7965	3736	8069	6396	7747	7225	4806	4702	7157	3452	5544	6330	7359	7833	16613	0	5129	5505	2993	4773	2414	3396	4933	3775	6304	5566	6587	6820	7255	3199	11594	11984	7369	6787	5052	9378	4623	0	5665	8388	4880	7353	6031	16075	5508	3383	8431	3758	3719	7602	15287	7846	2520	4542	11602	6475	8635	4431	4790	0	18828	7263	14132	3925	3759	10042	4732	10211	5693	0	3450	3428	7205	5052	13523	25275	23318	5531	6990	3034	2151	4702	14006	4622	10056	7100	Lipid	0.54545456	2.0454545	0.045454547
14	C22 H45 O12 N1	516.30145	516.30237	0.11884718	516.3015	0	1465	0	2114	0	0	0	0	0	0	1526	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11000	24183	0	0	0	0	0	0	0	0	0	0	0	2463	0	0	0	631	638	1945	0	1465	0	0	3943	2384	0	1374	0	0	0	0	9707	0	19504	5948	2356	0	0	0	0	0	15085	2352	7659	0	0	0	0	0	502	1070	0	67877	0	1967	0	0	0	0	0	0	0	0	190008	52494	0	7887	0	512	2959	0	0	0	0	0	0	4646	95852	0	0	574	0	0	Lipid	0.54545456	2.0454545	0.045454547
16	C22 H45 O12 N1	516.30145	516.30225	0.09228056	516.3015	11757	9655	14173	14306	9141	13143	14254	4150	9063	8952	15677	13775	3418	12090	6046	4213	9012	7174	4998	4775	4358	10076	6300	4500	6366	6358	32724	22066	5616	7240	7173	6342	3834	8303	6652	5411	6878	10232	11222	13926	24066	7022	19010	25449	16724	14118	17142	24210	6304	11326	9939	8223	10667	15279	4967	5433	14113	6669	33372	22611	12729	15589	20201	8389	12065	12228	8926	13541	15533	12258	18648	9646	10966	6158	3633	9968	21346	11801	9283	22467	11181	13363	12723	11470	7513	9620	6544	16435	10170	0	55124	17116	0	13861	5779	21667	14125	9215	10790	10965	7250	2859	13071	15060	187405	11812	4432	24769	8294	11053	Lipid	0.54545456	2.0454545	0.045454547
6	C22 H45 O12 N1	516.30145	516.30273	0.16454074	516.3015	3003	2494	1654	2394	0	9375	0	0	0	0	1674	0	0	1628	584	904	1483	655	0	0	0	0	0	0	650	0	0	80463	0	0	0	0	0	0	0	0	0	0	1577	0	0	12623	0	0	0	0	0	0	0	0	2247	2138	1499	0	1766	0	3605	0	0	0	0	0	0	4418	5293	4937	20658	2281	0	0	0	0	0	0	0	0	0	0	0	278335	0	0	0	0	0	0	0	0	1078	0	223073	77974	0	16317	1219	0	2514	1820	590	0	0	0	0	0	0	0	621	0	0	0	Lipid	0.54545456	2.0454545	0.045454547
12	C23 H41 O8 N5	516.3028	516.3033	0.12963155	516.30286	16755	25419	18309	17589	0	5070	0	0	0	14334	31116	0	0	755	0	0	0	0	0	5040	0	13533	0	0	0	0	14223	305604	0	0	0	0	0	0	0	0	0	0	0	0	0	4269	10896	0	0	6357	9657	0	0	0	29730	28044	0	1590	0	0	0	0	0	0	0	0	57243	0	0	0	3279	0	0	5163	0	0	0	0	0	0	0	0	0	1024188	0	0	0	0	0	0	0	3033	0	0	2047947	1102236	0	143625	10422	0	15378	32529	379491	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3478261	1.7826087	0.2173913
8	C23 H41 O8 N5	516.3028	516.3034	0.09281514	516.30286	14621	10877	10823	10154	0	20278	0	0	0	0	10397	0	0	926	0	0	0	897	0	0	0	0	0	0	873	0	0	179143	0	0	0	0	2198	0	0	0	932	0	0	0	0	2101	0	0	0	0	0	0	0	0	16435	9923	733	0	0	0	2823	0	0	0	0	0	0	1752	2810	2847	2335	0	0	0	0	0	0	0	0	0	0	0	0	656308	0	0	0	0	1195	0	0	777	802	0	974445	451757	0	60976	7845	0	12768	13523	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3478261	1.7826087	0.2173913
10	C23 H41 O8 N5	516.3028	516.3036	0.14496614	516.30286	14045	16658	14609	16590	0	10676	0	0	0	0	21410	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1034	215359	0	0	0	0	0	0	0	0	0	0	0	0	0	1031	0	0	0	0	0	0	0	0	13887	15283	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	596886	0	0	0	0	0	0	0	0	0	0	1687417	640881	0	72500	10762	0	13901	15036	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3478261	1.7826087	0.2173913
28	C31 H42 O4 N1 Na1	516.3084	516.3092	0.124842875	516.3085	0	0	856	0	0	0	0	2528	0	0	0	0	0	0	2810	0	0	0	0	0	0	0	0	0	0	0	0	0	5236	39361	0	7772	0	969	0	12427	0	4049	0	0	0	0	0	0	0	0	0	0	6628	43689	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1327	37922	8371	26547	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1118	0	Lipid	0.12903225	1.3548387	0.032258064
26	C31 H42 O4 N1 Na1	516.3084	516.3091	0.06626654	516.3085	0	0	0	0	0	0	22327	0	3060	0	0	11513	0	0	50828	0	31986	0	0	0	0	0	0	0	0	0	5844	0	0	0	0	0	0	0	0	0	0	106732	36942	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12729	16695	0	0	0	0	0	0	0	0	0	0	85940	0	0	0	0	0	0	0	0	0	15895	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2598	0	50676	0	0	0	26147	0	0	0	0	0	0	0	Lipid	0.12903225	1.3548387	0.032258064
6	C30 H45 O4 N1 S1	516.3142	516.31525	-0.16571636	516.31415	729	0	0	0	0	1968	0	0	0	0	960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12398	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34748	0	0	0	0	0	0	0	0	0	0	54389	2897	0	2501	913	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.13333334	1.5	0.03333333
4	C30 H45 O4 N1 S1	516.3142	516.3146	-0.49025744	516.31396	0	409	0	0	0	2573	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67812	0	0	0	0	0	0	0	0	0	0	49628	4515	0	662	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.13333334	1.5	0.03333333
22	C26 H45 O9 N1	516.3167	516.3173	0.027471902	516.3167	3749	1617	2290	2175	0	1621	33511	3551	1994	0	0	1290	2001	0	3652	2676	2787	6926	4677	0	0	1584	2039	2779	3442	0	25113	2357	7125	3683	4676	0	4974	1616	0	9668	5954	2162	0	0	0	1172	0	0	0	0	0	0	3828	3299	2356	1291	0	0	3638	1766	1136	3501	1823	1266	3925	0	3379	0	3060	4055	4295	0	0	0	0	0	3281	5782	2650	4588	0	2401	1894	0	0	0	33752	12953	2528	3847	1856	2076	2685	1510	7539	3816	4383	0	0	0	2833	1408	1122	1613	2297	5113	1696	2119	0	1728	1600	0	1992	4225	Lipid	0.34615386	1.7307693	0.038461536
24	C26 H45 O9 N1	516.3167	516.3173	0.060871325	516.3167	4157	2762	5252	5236	3770	1644	57891	3951	2440	1971	1257	3225	6587	7859	3816	1993	2912	7588	10150	3461	0	2092	2150	2683	3016	0	22730	2892	5912	3167	3292	6006	7415	5598	2462	7301	9564	4712	2814	988	0	1292	0	0	0	1557	0	0	5338	2317	7150	3015	4557	0	11018	2833	4179	5101	4759	0	4015	0	6538	3175	6183	5720	12375	1610	0	2008	0	3444	3370	5679	0	4826	0	2764	2108	3350	1756	0	25650	13777	3303	3850	3820	3657	4867	1858	11216	13617	6641	0	0	0	3600	2940	1547	3165	4551	6467	1799	2886	3457	2998	2288	0	2614	5856	Lipid	0.34615386	1.7307693	0.038461536
6	C23 H49 O11 N1	516.3378	516.3389	0.10639103	516.3379	0	0	0	0	0	639	0	1135	0	1043	3179	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1234	12883	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1651	0	929	0	0	0	0	0	0	3057	0	0	0	0	0	0	0	0	0	7928	0	0	0	0	0	0	0	0	0	0	25007	3991	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.47826087	2.1304348	0.04347826
18	C23 H49 O11 N1	516.3378	516.3385	0.031082643	516.3378	5587	3361	2559	2238	3811	2152	0	0	1354	0	0	2605	3035	4977	0	3223	15882	1967	0	0	0	2052	1250	0	1411	1571	5719	3476	0	0	0	4973	3073	0	0	0	1979	2929	17548	2160	18164	1864	4834	4380	2776	0	17073	4304	1514	2181	3788	2320	2587	4192	2079	1636	3459	1497	4300	8113	2551	0	5445	2453	11688	5336	8166	17139	1382	0	7566	1937	2137	0	0	0	2681	1430	0	3715	0	3606	3891	3393	5291	8070	0	18178	2886	15271	0	5054	2300	3453	0	4139	3500	3225	3032	1705	1856	0	1935	25408	9651	1531	2263	4340	2440	0	Lipid	0.47826087	2.1304348	0.04347826
12	C24 H45 O7 N5	516.3392	516.33954	0.019974718	516.3392	0	0	0	1931	0	1225	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19991	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	100575	0	0	0	0	0	0	0	0	0	0	128736	53985	0	7246	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.875	0.20833333
10	C24 H45 O7 N5	516.3392	516.33984	0.096123755	516.33923	0	0	0	1514	0	4024	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	83755	0	0	0	0	0	0	0	0	0	0	158665	40748	0	3138	0	0	0	1115	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.29166666	1.875	0.20833333
26	C27 H49 O8 N1	516.3531	516.3531	-0.08557453	516.353	0	0	0	0	0	0	57347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29425	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3515	0	3115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5285	5146	0	0	0	0	0	0	2224	2763	0	0	0	0	0	0	0	0	0	0	0	0	6991	0	0	0	0	0	Lipid	0.2962963	1.8148148	0.037037037
24	C27 H49 O8 N1	516.3531	516.3529	-0.10302567	516.353	0	0	0	0	0	0	39634	0	0	0	0	0	0	1334	0	0	0	0	0	0	0	0	0	0	0	1613	20780	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6724	3258	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2962963	1.8148148	0.037037037
20	C23 H16 O14	517.0613	517.0621	0.18299039	517.0614	6182	8940	5914	3482	25772	11731	1555	0	21027	0	2593	1538	39504	5489	3159	0	0	18689	13062	3869	4050	10457	3179	0	0	0	0	0	0	0	0	0	3879	0	3863	0	2132	1669	0	1857	3735	4402	1036	0	0	3849	11943	1929	0	0	6296	3825	9091	0	21606	21149	7112	0	1720	0	0	3026	42522	20673	8046	23587	4791	0	0	0	0	0	0	0	0	0	425	0	7769	8742	9550	7568	0	0	30007	8982	6073	4145	4774	2276	0	0	2084	21363	5026	0	3546	3990	21595	32992	29626	0	1304	0	12136	0	18603	0	0	32499	Phytochemical	0.6086956	0.6956522	0.0
18	C23 H16 O14	517.0613	517.06213	0.1259155	517.06134	5421	4445	4853	7375	19659	8481	0	0	21362	2450	3089	1240	35096	2834	1519	0	0	17073	14885	2595	6378	13869	2236	0	0	0	0	0	0	0	0	0	0	0	5959	0	1815	0	0	2116	0	2938	275	0	0	2956	13349	763	0	0	4200	5319	10578	0	17619	20987	5670	0	0	1065	0	2393	38227	21325	7478	18777	1728	0	1821	0	2309	0	0	0	0	0	0	0	4885	7253	7417	10640	0	0	34787	7493	2172	2804	5482	0	0	0	0	19876	8747	0	3478	3039	22238	34997	23886	1808	1187	0	8308	0	19772	0	0	36874	Phytochemical	0.6086956	0.6956522	0.0
16	C23 H16 O14	517.0613	517.06213	0.17385097	517.0614	5422	2930	3924	6278	32256	5114	0	0	29964	0	8132	2416	39440	4386	0	0	0	23264	16576	0	0	24792	6388	0	0	0	3194	0	0	0	0	0	0	0	8614	0	0	0	2534	0	4898	3396	0	0	0	6938	16212	0	0	0	7624	10788	15154	0	18342	28924	11452	0	0	3688	0	4874	57500	20680	3826	26486	3590	0	0	0	0	0	0	0	0	0	0	0	9116	11958	2168	8790	0	0	36126	7492	0	2036	6430	0	0	0	0	28299	17386	0	0	5102	28906	55958	42850	0	0	0	11748	0	27920	0	0	40842	Phytochemical	0.6086956	0.6956522	0.0
28	C23 H16 O14	517.0613	517.06213	0.34872022	517.06146	5901	7105	5769	7195	16657	6763	1441	0	15096	5716	1392	1837	41869	7289	0	2053	0	23038	16747	2791	2811	7815	4782	0	0	0	1472	0	0	0	0	0	2355	0	6399	0	2921	1861	0	1875	3495	2625	0	0	0	3641	6129	0	1130	0	5644	5787	8538	0	21166	16772	3828	0	0	0	3598	1948	31974	16636	4537	21182	4274	1052	0	2044	1789	0	0	0	0	0	0	0	10596	5229	10631	1795	1016	0	32628	9513	6742	3152	2615	1068	0	2204	1818	6450	8660	0	6623	6892	12015	20086	21127	1998	1397	0	4846	1481	17461	0	1403	33519	Phytochemical	0.6086956	0.6956522	0.0
22	C23 H16 O14	517.0613	517.06213	0.19551717	517.0614	14762	11902	7164	15904	40318	13866	0	0	32314	9694	4022	3044	75714	11992	5212	0	0	35030	37962	6806	6956	22188	9252	2948	0	0	2286	0	0	0	0	0	0	0	8588	0	0	3380	0	3070	5474	5186	0	0	0	4470	21080	0	0	0	10364	5580	28270	0	35948	39084	8750	3692	0	4142	5704	7090	95574	34708	11842	37996	8694	0	0	0	0	0	0	0	0	0	0	0	15424	11380	15496	9746	0	2224	59622	18998	12320	4152	11016	0	0	0	0	31688	34612	0	12418	14532	28848	47636	44846	0	0	0	14158	4024	36854	0	0	71866	Phytochemical	0.6086956	0.6956522	0.0
24	C23 H16 O14	517.0613	517.0621	0.14343663	517.06134	8470	5777	6042	4082	15937	8819	0	0	17185	2589	1290	1125	34588	4622	2917	0	0	19123	18189	2730	1313	9284	7310	0	0	0	1261	0	0	0	0	0	0	0	4510	0	1799	1284	0	2529	3030	1284	0	0	0	3290	7686	0	0	0	6687	5290	10379	0	17524	18081	7789	0	0	0	1171	2550	35566	15440	3744	25079	1838	0	1070	0	0	0	0	0	0	0	0	1616	9793	3752	11037	4115	0	0	19270	9332	4265	2873	3232	0	0	1261	2026	12631	11680	0	7132	6762	10681	23050	21028	0	0	0	4178	1068	17530	0	1682	34102	Phytochemical	0.6086956	0.6956522	0.0
26	C23 H16 O14	517.0613	517.062	0.25969848	517.0614	5075	7164	5907	4065	15185	5862	0	0	16829	3924	0	0	46498	8473	0	0	0	31765	19784	0	0	8864	0	0	0	0	1995	0	0	0	0	0	1871	0	7336	0	1895	0	0	0	3237	0	0	0	0	0	0	0	0	0	4781	7631	9813	0	19966	18934	4578	0	0	0	0	0	35680	17401	4611	19262	3129	0	0	0	3565	0	0	0	0	0	0	0	9044	0	8208	3528	0	0	28226	11955	5804	2625	4364	0	0	1839	0	11932	9174	0	6928	5763	12387	18563	22603	0	0	0	0	0	13024	0	0	33443	Phytochemical	0.6086956	0.6956522	0.0
22	C24 H20 O13	517.09766	517.09845	0.22743975	517.0978	16956	14255	18592	14555	31387	16744	3584	2126	39461	29109	7558	2288	64739	20482	3495	3066	1853	41632	29289	15213	19270	34207	7698	4149	5465	6673	3644	5096	0	1472	1313	0	5532	1745	42931	0	2941	4574	1927	9283	8209	5196	0	0	492	22863	28155	0	1817	1166	20474	17644	20563	0	39637	29721	12442	2711	2954	1935	3517	9562	68853	36764	8602	45578	6217	1765	5820	6301	13168	1216	1342	0	2212	1527	451	0	16625	24421	17637	29349	2320	7893	43822	22161	11701	4651	9780	2471	3985	4450	3612	39608	41015	0	16458	18598	29436	43668	42804	2173	3577	4449	26542	3388	25352	0	4533	64486	Phytochemical	0.5416667	0.8333333	0.0
26	C24 H20 O13	517.09766	517.0985	0.23469874	517.0978	7518	6997	8603	4702	14967	7758	0	0	20781	17278	3905	0	27881	6243	0	0	0	23058	18609	10096	5803	17860	0	0	0	0	0	0	0	0	0	0	1661	0	17531	0	0	0	0	5565	5240	0	0	0	0	9989	11181	0	0	0	7391	8753	6543	0	21228	16199	8036	0	0	0	0	3599	29196	16877	3195	16587	4524	0	0	5181	6256	0	0	0	0	0	0	2924	9948	7579	5170	8967	0	2538	20035	7237	5366	3121	3534	0	1840	2474	0	14676	23205	0	7429	5517	9199	13119	14238	0	0	0	9070	0	10753	0	0	36479	Phytochemical	0.5416667	0.8333333	0.0
24	C24 H20 O13	517.09766	517.0984	0.29885158	517.09784	9595	9231	7997	10833	19914	10764	0	0	23979	24108	5110	1718	40301	7006	3360	1470	0	29601	21750	11172	9888	20419	4465	1654	3285	1999	1895	0	0	0	1148	0	1827	1029	27077	0	3860	3476	0	5174	4475	1885	0	0	0	13264	16505	0	950	0	10301	8987	12861	0	24892	20428	7478	2408	4464	1450	3130	4461	39405	22686	8654	25024	3037	0	3756	6378	5892	0	0	0	0	0	0	1435	11562	12032	13871	11482	1051	3543	26026	12659	4503	2726	3424	2286	2159	4887	3719	20268	25051	0	9791	8864	14919	20179	19757	0	0	1975	12212	0	15487	0	1312	38783	Phytochemical	0.5416667	0.8333333	0.0
20	C24 H20 O13	517.09766	517.09845	0.21131718	517.0978	26462	28561	21353	18906	49905	25370	6168	2220	60431	60659	18523	3634	93862	27919	8086	6300	2595	54935	55542	32188	31669	58150	12611	7991	5184	7838	6044	7986	2005	0	3324	0	5363	0	65987	2321	13635	9559	2476	19147	14720	9664	981	0	0	46327	51200	808	2834	1714	24936	21895	32050	0	55151	51320	18410	5091	6594	3055	4877	18180	91184	48348	17219	54161	20140	2143	12565	8736	12690	2805	0	0	0	2127	345	4222	29374	35297	19495	39635	2814	10953	56418	28670	22664	11227	13982	4544	7334	11222	5863	60526	73986	0	28603	22338	49298	57651	48607	4933	5171	9454	46686	4866	43652	0	7110	103490	Phytochemical	0.5416667	0.8333333	0.0
14	C24 H20 O13	517.09766	517.0985	0.18818933	517.0978	25392	19586	20159	22397	38957	16035	2921	3248	39078	53517	30150	4971	59574	12176	5533	4648	0	32305	30748	33246	37203	65389	8732	3876	2183	5133	3334	11504	1707	0	1288	0	5202	2187	84664	0	7740	7823	4110	15753	28567	8096	0	0	0	34430	64645	0	3844	0	18758	16898	19468	0	33924	31902	13152	6250	0	0	0	14775	70935	28719	11745	40928	10519	4648	0	13358	19581	3103	1597	0	2664	2379	0	5534	20461	34988	18597	33583	1845	9006	46200	15694	14479	7492	12759	9648	3062	12249	6330	81286	52837	0	16932	18165	38091	50284	48677	3138	4525	3796	48846	3272	30474	0	3255	45099	Phytochemical	0.5416667	0.8333333	0.0
12	C24 H20 O13	517.09766	517.0985	0.15471798	517.0977	6776	13331	5768	11074	14862	7092	2392	1266	19643	24546	19966	2775	24209	4803	4443	2135	2869	13313	21901	10147	15636	37452	4435	3100	1293	4602	0	0	0	0	0	1479	2523	1557	42354	0	1918	2395	1707	10483	13487	2313	561	0	0	13196	29341	0	1876	0	11423	11350	9834	0	17503	17205	7782	1998	0	0	0	8524	37692	13590	5654	22140	5056	0	0	4218	10737	0	1379	0	0	0	0	1905	8622	19040	7501	15202	0	2433	24268	8649	6702	5032	3647	0	0	2722	5880	33814	18591	0	10341	10176	23337	24367	20274	0	1555	0	0	3199	16245	0	3700	27599	Phytochemical	0.5416667	0.8333333	0.0
28	C24 H20 O13	517.09766	517.0984	0.2125235	517.0978	5187	4898	5703	5186	9194	9179	1234	0	12770	13133	2357	0	28283	4291	4057	0	0	17242	14168	6398	8820	11786	3765	2123	0	2454	0	0	0	0	1107	0	1741	0	13318	0	1442	2956	0	4535	5381	0	0	0	0	6635	7853	0	0	0	5520	5350	7612	0	15793	12855	3431	0	1534	0	0	3810	22634	10513	3463	13842	3482	1001	4661	4625	5032	0	0	0	0	0	0	1022	8171	5024	6376	6170	1197	2518	16744	6167	4614	1814	2373	1610	3022	2124	1852	7724	14223	0	5659	5281	5754	12799	11428	0	1574	0	6292	1578	8190	0	1770	19989	Phytochemical	0.5416667	0.8333333	0.0
14	C23 H20 O12 N2	517.1089	517.10974	0.15323403	517.109	7961	6375	5561	4680	8695	3157	0	2018	14556	13248	12406	1836	20120	2384	1524	0	0	11390	7671	10687	14569	33075	2747	0	0	1412	0	0	0	0	0	0	2116	0	29641	0	0	1265	1832	14512	20429	3220	0	0	0	15014	51657	0	0	0	6253	10092	6655	0	15811	11137	3344	3266	0	0	0	12003	29131	16628	4558	15147	3195	0	0	3109	4789	0	2066	0	2232	1224	0	1480	4392	16139	3609	21590	1331	2482	12580	3455	3755	2483	3291	6033	3259	0	5537	33701	21795	0	4726	9044	5905	11282	8768	0	1397	0	21691	3440	9156	0	1194	19370	Phytochemical	0.5217391	0.8695652	0.08695652
18	C23 H20 O12 N2	517.1089	517.10974	0.2714619	517.1091	6703	5417	4808	6092	8905	3198	1889	1795	8895	19249	5781	1081	19785	3638	1464	0	0	8297	7367	7213	14737	22406	2713	2122	2407	0	0	0	0	0	1478	0	2748	0	17083	0	4211	2524	0	11097	14005	3109	286	0	0	20383	27169	0	0	1421	7111	4641	4574	0	17426	7715	2804	3490	0	1702	0	9356	27024	11550	4507	13517	1933	0	2883	1920	5429	0	2527	0	0	0	0	2415	3370	19531	2339	19892	0	6762	11046	2835	4639	1801	1954	6593	2767	2505	3333	19421	25766	0	8031	4259	4333	10713	10167	1585	2489	3674	19385	2893	6161	0	2422	13582	Phytochemical	0.5217391	0.8695652	0.08695652
16	C23 H20 O12 N2	517.1089	517.10974	0.20649825	517.109	7431	9645	6006	6351	7954	2151	1416	1560	13111	15264	8750	1266	18634	4430	1283	2749	1708	9941	13403	10683	14187	32896	3053	0	1560	2642	1282	2618	0	0	1206	0	2194	0	27769	2146	2544	2509	1838	14717	22123	3699	0	0	0	22465	37277	0	1826	1302	6615	9516	6582	0	16164	9368	4477	2106	3701	1462	8617	11752	25561	13935	3731	15447	6427	0	3921	2325	6264	0	0	0	2554	1625	0	0	4724	16690	2741	24528	1821	5831	12430	6651	4877	4233	3170	0	0	4760	0	29271	21624	0	5757	6920	7241	10666	7939	1790	1083	1830	19117	0	11906	0	1543	24165	Phytochemical	0.5217391	0.8695652	0.08695652
20	C23 H20 O12 N2	517.1089	517.1096	0.17299479	517.109	4750	4276	5685	5417	4673	3562	0	0	7852	4627	3503	1107	11850	1908	2258	0	0	9278	7184	2111	7969	19962	3099	0	2019	1303	1779	1643	0	0	2309	0	3175	0	9095	1362	3522	1133	0	7372	9494	0	0	0	0	12082	28750	0	0	0	6861	3788	3317	0	5863	7998	2316	2433	1753	1179	2013	9190	11594	8097	3704	4980	2037	2133	1635	4639	2029	0	0	0	0	0	0	2775	3850	12101	1330	16646	0	0	7629	3971	2851	3570	3404	3553	0	1716	2565	14837	17023	0	9646	3201	4865	4451	5467	2312	2508	1736	17117	0	1596	0	1804	14314	Phytochemical	0.5217391	0.8695652	0.08695652
12	C23 H20 O12 N2	517.1089	517.1098	0.19127877	517.109	5296	2987	2937	1625	7609	0	0	0	6594	8837	6369	0	15086	2369	1033	0	0	6603	4316	5140	14858	17283	2052	0	0	1160	0	0	0	0	957	0	0	0	17325	0	2770	1500	0	6891	18903	1900	0	0	0	11376	31567	0	0	0	3584	5898	3692	0	8151	7108	1977	1737	0	0	0	9958	19678	11171	2187	8629	0	0	0	1958	4497	0	0	0	1828	0	0	1219	2240	0	1754	11189	0	1989	11249	3445	3430	1326	3094	0	0	0	3108	19721	9637	0	0	3905	7681	7059	9290	0	0	0	0	2269	6901	0	1564	17491	Phytochemical	0.5217391	0.8695652	0.08695652
26	C25 H24 O12	517.13403	517.13477	0.17807896	517.13416	10497	7693	7775	8677	13462	8748	0	0	18617	30203	5469	0	32077	7831	0	0	0	21306	18369	15597	19608	18013	0	0	0	7471	0	5968	0	0	0	0	3392	0	30719	0	3491	2716	0	9669	10256	0	0	0	0	12814	16244	0	0	0	8806	7276	7810	0	19234	12128	5039	2760	0	0	0	5842	25535	13966	4140	18842	5845	0	9479	19563	16142	0	0	0	0	0	0	0	13198	7561	7821	11601	0	6504	22165	7369	5919	3185	3092	0	3881	4681	0	17073	28486	0	11297	8055	9877	11125	16134	0	0	0	0	0	14283	0	0	29977	Phytochemical	0.48	0.96	0.0
14	C25 H24 O12	517.13403	517.1349	0.11050995	517.1341	47373	56096	47784	42921	42141	28020	15693	20417	63283	157673	93218	16269	62130	24590	17346	17786	13382	48007	56298	88942	80531	91301	25821	26786	14714	46065	17731	55953	10356	14910	18630	16801	28345	16468	198521	16660	19560	22083	18929	60412	63748	15227	0	0	0	78892	112400	0	20785	20626	45062	50402	28799	0	54309	39764	22720	25097	27500	20200	0	38590	75398	41579	21093	51868	21579	18720	47634	72092	79823	18633	16902	11208	14514	17750	0	18003	37514	70167	29600	70219	21060	37526	47965	24763	33324	19621	18478	19146	28937	29001	26700	84142	101276	0	45912	44287	45850	47126	48040	20790	15725	28819	107311	18576	39145	0	21371	56848	Phytochemical	0.48	0.96	0.0
28	C25 H24 O12	517.13403	517.1347	0.23374872	517.13416	7489	4675	6823	3734	9487	4821	1050	0	8165	16431	3478	1449	21350	3754	2636	0	0	13476	9702	12066	12342	9553	3467	0	2510	6620	1396	3977	0	0	1083	1158	2131	0	18455	0	1800	1986	0	6039	4466	2194	0	0	0	8558	11362	0	1417	0	5955	6391	6673	0	11332	7937	2700	1450	0	0	0	4379	18435	8556	2749	14613	2724	1215	8213	12710	13189	1282	0	0	0	987	0	1117	5982	6011	5322	6673	2222	2631	14191	5848	2101	2756	2005	999	3355	4204	0	7992	12708	0	6370	5008	7272	10818	8645	0	1575	2386	6998	1553	7888	0	2070	17195	Phytochemical	0.48	0.96	0.0
12	C25 H24 O12	517.13403	517.1349	0.13440329	517.1341	26591	24047	25517	23312	21284	7367	8841	8243	21834	65278	41711	7794	22320	10370	9889	12712	8791	20889	22861	43217	38451	34915	11736	13265	3972	22712	11535	23009	9455	7237	8346	7220	13432	9095	89168	6865	10720	10514	10895	23095	40164	6989	0	0	0	42024	57585	0	11685	11337	22707	23532	14914	0	26013	16851	9515	13219	7305	12408	0	24066	29801	16809	10784	19818	10079	8718	30305	33101	34563	8032	7205	9089	7622	6481	0	9416	20839	19484	17678	32215	8122	16755	22372	11951	17735	8537	8894	13424	5056	8899	12376	44717	49018	0	24440	22730	29520	24196	18994	8265	8401	7441	42068	11396	20171	0	11209	28140	Phytochemical	0.48	0.96	0.0
24	C25 H24 O12	517.13403	517.13477	0.20446457	517.13416	16226	11678	15198	16887	19664	16866	2309	3344	31462	57869	17976	3495	49064	10215	5948	6191	1779	33241	28195	31482	38088	29569	11465	3300	3817	15146	2518	10490	0	0	4532	1543	5142	1127	65917	1581	4887	5072	1704	22879	13938	5755	0	0	0	25720	31417	0	1453	0	16953	15085	14931	0	34423	24962	10010	5080	5541	2755	3982	17408	47928	29101	9511	31927	9973	1868	17057	27988	27770	3053	1852	0	2530	2560	0	2359	16711	14237	15221	22706	3720	13771	36117	14232	11597	6921	5503	3271	5514	6291	4997	28835	48035	0	15617	15941	19108	26517	32253	3815	2572	4244	24012	2319	24589	0	5552	50172	Phytochemical	0.48	0.96	0.0
10	C25 H24 O12	517.13403	517.13495	0.21618381	517.13416	8271	9952	5871	7256	5581	2815	3438	2559	9017	21192	15310	3286	11922	2708	2030	5237	3877	4980	7128	12570	16208	12633	3697	2286	2009	7887	3610	7339	2775	2197	2828	3218	3423	2446	26592	2289	2054	3550	5085	8115	11049	2536	0	0	0	11634	17965	0	2383	3980	11022	7733	4105	0	5214	5374	3122	3646	4335	3651	0	9854	9936	6735	2473	7166	3313	5926	8227	7545	13201	4079	2979	1615	3851	3264	0	2586	8533	6577	4235	9553	2189	4410	7736	2983	6468	2560	3145	5293	0	5192	4397	8656	14101	0	8233	8598	11270	9627	7904	3668	2774	5161	0	1936	6197	0	4037	6823	Phytochemical	0.48	0.96	0.0
16	C25 H24 O12	517.13403	517.1348	0.10897051	517.1341	67690	81237	60748	75507	81116	43416	20117	24667	89675	245879	111958	17202	110767	35852	33939	29451	17269	84373	98246	148416	140351	129320	33914	37521	28893	76887	23408	64957	19116	14664	26353	30991	28701	21541	308199	21222	31449	34910	22470	98518	71113	25974	1090	0	0	130455	139833	0	22612	26761	77150	66070	51187	0	89637	69045	37003	27303	27989	22551	30708	64999	124787	71290	31468	85648	38572	18740	76241	105037	97974	24637	18767	19419	12646	25294	0	23246	59720	89453	44840	122617	23033	62871	85145	43159	50213	24763	31686	0	32655	46603	59660	118730	150039	0	72333	64816	80430	72464	72802	26879	19869	26741	78304	34656	59198	0	23937	116436	Phytochemical	0.48	0.96	0.0
10	C24 H24 O11 N2	517.14526	517.1462	0.14432107	517.1454	16055	14358	11460	6751	12352	6586	7976	3075	16498	32067	19714	3977	22514	4229	4359	6877	6321	11826	11872	26206	32421	29823	6139	9579	3457	9168	5549	12107	3602	4043	3308	4561	7247	4668	51277	4392	6874	5076	7016	27795	32193	3683	0	0	0	27456	44764	0	8668	5371	13681	12692	7917	0	16624	12299	4877	6769	7549	7026	0	16681	23397	15199	5517	16768	6543	7345	18303	16528	23100	5995	3237	2392	4576	4410	0	3822	9771	12159	6264	18680	4389	10979	11767	5509	7093	6099	5208	7442	0	7055	9262	28614	32489	0	14285	13744	7596	14239	13071	3605	3271	8135	23742	7745	10799	0	6805	21577	Phytochemical	0.45833334	1.0	0.083333336
20	C24 H24 O11 N2	517.14526	517.14606	0.18596907	517.1454	13620	10834	5498	9337	9583	5120	5878	3565	9373	37836	12086	2890	19968	6529	5390	4256	3665	14269	14238	17902	18581	31243	6146	5361	7791	3563	4862	5175	0	2564	4622	2997	8956	6133	35548	2722	9886	5014	2748	15562	15276	4090	0	0	0	32023	25353	0	6828	2435	9473	11778	11143	0	16306	9297	8178	7300	4814	3328	6465	13691	19594	11652	4670	12522	8102	4800	5560	8720	10473	2345	2470	3054	3461	2414	0	3907	8142	15641	5203	21117	3403	13360	12153	5620	6311	5610	6304	6369	12733	10862	14297	23695	32847	0	10098	12653	8640	9289	9308	4196	3166	5861	18637	5538	5808	0	5651	18554	Phytochemical	0.45833334	1.0	0.083333336
28	C26 H28 O11	517.1704	517.17114	0.18172334	517.17053	8439	9114	9235	7683	13556	6812	2636	2947	13724	22913	5517	1896	24193	6541	3645	4082	2448	14429	12824	20239	17037	10001	4340	4910	3634	16695	2537	6999	2513	0	3588	2126	3404	3325	26386	0	3473	2992	1422	8258	7323	3274	0	0	0	10735	12807	0	3697	0	8949	6666	7804	0	13583	14143	4316	4447	3895	2287	3861	6797	20087	9922	3298	14124	4062	1885	13905	25397	24536	2298	1725	0	0	1339	0	2035	10030	6112	5090	6416	2308	6283	16202	7951	7413	2039	2267	2716	6033	3703	5969	7987	17017	0	7405	7007	9273	12528	8968	3134	1853	3689	7111	3098	8932	0	2116	18638	Phytochemical	0.42307693	1.0769231	0.0
16	C26 H28 O11	517.1704	517.1712	0.09417813	517.1705	122790	140909	121624	122325	103084	68556	55553	97130	125230	664876	172434	61547	117623	56042	81095	90192	59232	103951	121746	260510	242987	147665	93087	96342	66261	201503	59670	130228	85058	72944	87201	84240	94822	60856	775524	81631	89125	67469	75961	176875	164503	53152	3089	0	0	164457	180947	0	93048	82877	115777	129604	75873	0	116494	83715	53910	86493	79577	69947	90066	102379	143245	98218	46371	116346	70273	83822	161207	283627	260087	81826	76999	74767	59778	84578	0	61128	112284	105680	94388	152962	77264	133288	117979	66549	90911	54218	61629	100143	89195	101732	133946	116970	166308	861	139296	119220	109291	106521	91065	84406	54772	88067	129640	104465	86671	0	75268	125582	Phytochemical	0.42307693	1.0769231	0.0
26	C26 H28 O11	517.1704	517.17114	0.1243493	517.17053	15303	16375	17546	14068	26110	12108	2330	11338	28924	54742	17520	4044	47213	13298	9621	7247	0	36687	26910	40657	42741	26454	10946	9894	5947	34174	3460	17259	0	0	5657	0	5367	4461	61511	0	6879	5357	0	20039	14195	0	0	0	0	24447	21878	0	6871	0	17445	17634	17354	0	26136	23294	7352	8175	5279	0	10730	17573	44296	23566	6185	31457	8736	3237	25814	50836	47905	6202	3075	0	0	4054	0	5854	15174	14086	16020	14311	6062	11539	33227	12770	15139	5573	6895	4046	8933	11118	10957	16661	30118	0	21300	15121	18408	32046	24140	0	3705	6100	16287	6523	19638	0	8562	43355	Phytochemical	0.42307693	1.0769231	0.0
24	C26 H28 O11	517.1704	517.17114	0.1109195	517.1705	42308	42892	34181	35542	47647	32346	8102	14526	59384	116492	43856	12788	90112	27512	18231	21793	8086	58705	62313	76697	78503	50403	29625	15553	12215	71864	9529	35152	14120	10571	14918	14092	15491	11178	129283	11841	15913	20155	9649	54434	36922	13986	2031	0	0	53304	54956	0	17076	10800	36037	37976	31750	0	62135	49226	19403	19658	13120	8263	18058	37654	83108	44111	20757	56228	23348	6878	57450	116017	93405	14529	13371	7661	7901	9820	0	11318	35959	26315	28468	44235	9956	33685	60924	25115	33521	12971	19152	11018	23875	26124	27734	36540	56027	0	32778	34351	46442	52010	45513	13857	10944	16522	34305	16843	43270	0	16042	83212	Phytochemical	0.42307693	1.0769231	0.0
20	C26 H28 O11	517.1704	517.17114	0.09872405	517.1705	154612	158297	147117	135404	158571	111226	53048	84780	181497	483862	201135	52799	256460	99344	90876	85370	49084	175323	194375	332026	315172	202641	87646	100299	83413	247731	48851	144240	86926	65459	74037	69323	95767	77673	572832	71784	92544	73992	50119	230329	145748	66759	4770	0	303	258004	200992	568	81287	65847	141393	167551	114733	0	191808	135060	71748	88329	87947	44063	84648	149410	240721	151978	67677	174724	92619	54789	208966	353044	308864	74661	74525	56593	47057	68215	345	70532	130736	103206	91223	162890	69707	177665	165881	98309	110320	60876	75127	64247	116164	115833	117610	145430	191465	637	134595	152796	147667	143798	142313	68459	60125	100673	157778	74941	126186	0	72955	251853	Phytochemical	0.42307693	1.0769231	0.0
16	C25 H28 O10 N2	517.1817	517.18243	0.051361274	517.1817	53074	55023	39654	46794	36669	27857	25987	36225	41485	118217	48886	21069	46766	17742	32978	34669	26520	44781	51677	96952	84521	89309	31259	55068	42591	33927	25578	36969	44031	26968	32069	33049	49617	27375	126638	31864	52685	29571	33232	84295	50625	24474	931	0	0	62230	44189	0	39147	27113	40733	46947	27363	0	44963	35826	18190	48860	45486	21635	53983	58306	54952	32568	16584	43503	28091	23280	31765	69359	46003	23905	30709	25448	26899	29977	0	25097	38770	42774	25003	46473	32136	55999	26466	18236	37474	25654	29158	52105	55087	61226	79997	52914	71805	0	46695	52043	22495	33937	28137	36467	20613	42780	45925	48624	28668	0	31820	59030	Phytochemical	0.4	1.12	0.08
8	C25 H28 O10 N2	517.1817	517.1826	0.15163751	517.18176	13630	11766	8272	9740	7185	4548	5037	7877	8937	30494	12082	5042	11629	3498	4998	8124	5951	8068	10392	22411	27114	22175	7723	10995	3652	7098	4048	8293	5472	5038	5138	7655	9093	4941	34525	5431	8515	4966	8266	21750	19742	5795	0	0	0	17228	19665	0	8892	7046	16025	12535	5676	0	11328	6005	4715	8180	4967	7859	7547	12767	11986	7796	0	11035	5736	9521	11806	16921	20625	6637	5884	5452	5219	7156	0	3819	9439	8763	4362	10734	5325	13341	5924	3858	10078	3750	5505	9780	0	13061	11574	17311	29376	0	11313	10532	6311	6454	8228	6855	3069	11434	7718	9044	4398	0	6409	10848	Phytochemical	0.4	1.12	0.08
28	C27 H32 O10	517.20685	517.2075	0.075090185	517.20685	15432	14514	16204	12448	17451	9986	4313	8490	16620	37546	16379	4330	37486	11190	11063	12351	4949	19801	18390	32214	32087	15261	14119	11695	5270	36914	5571	15504	7886	5807	6345	7145	10809	7612	39585	6147	12404	6823	7839	18021	14264	6875	0	0	0	16493	10762	0	8254	7450	16733	13084	12624	0	21419	21544	7294	10223	7178	3630	12487	8543	25305	12824	5370	24200	9209	8138	34678	53845	52610	6100	5037	5208	4379	6737	0	5879	18241	10593	11096	8182	6124	11522	22386	9626	15277	4791	8314	7829	9109	14007	11241	9850	15523	0	13467	13382	12374	21407	22639	8258	4134	12168	10235	10169	12088	0	6245	23707	Phytochemical	0.37037036	1.1851852	0.0
22	C27 H32 O10	517.20685	517.2076	0.105688594	517.20685	260330	242412	224021	237389	256017	192322	99739	197049	275866	621293	297169	111574	307645	162562	170955	168570	93296	316293	268327	503647	514023	261836	184723	198166	175200	434204	90081	256418	167058	137729	167574	188381	200780	143262	686266	161063	221780	153456	109780	334412	216960	115826	5589	0	563	280160	188434	0	167813	161318	250638	245147	178294	779	310114	230019	119223	198634	165216	84039	183260	234345	350890	236208	114133	258620	153734	113677	360750	771547	556981	163794	141992	134244	88221	136801	433	138778	226800	118447	203049	169270	135636	215739	247389	147856	201119	110514	141236	140534	220050	242714	240237	168900	256721	0	222700	239091	209021	234441	215179	180694	123564	186717	169839	174611	202792	0	131791	367372	Phytochemical	0.37037036	1.1851852	0.0
26	C27 H32 O10	517.20685	517.2075	0.056007046	517.20685	37218	35010	39183	37858	51430	29954	9060	28148	52756	83715	39490	14793	82152	30497	22462	33624	14960	54594	52967	86800	92692	36684	35288	34404	21749	74290	9313	33284	18563	16437	21253	18765	28592	21634	106342	22535	30704	19172	11988	48197	38196	15401	0	0	0	42820	35419	0	26885	16116	39630	35033	31527	0	58976	52165	23399	30260	19152	10817	31293	32417	66766	47336	14648	57752	29613	15148	73750	129074	115158	22223	18684	14634	10999	17448	0	17219	42342	19978	35932	23584	15617	32252	55646	29067	35009	17616	20822	17520	29870	28196	34831	32293	38526	0	41489	43208	34857	53594	59748	28696	16458	23294	25661	22090	39425	0	21066	69400	Phytochemical	0.37037036	1.1851852	0.0
24	C27 H32 O10	517.20685	517.2075	0.086361	517.20685	107652	95744	102159	107425	124799	85289	32900	68501	139036	281636	119716	44515	190835	65992	77624	78044	41129	144650	149117	224291	224982	100227	89643	85206	59862	207105	28217	98031	68040	54312	61894	59987	78247	56257	301266	60157	100900	54544	43277	146130	106782	49262	1844	0	0	120837	92332	0	67890	62542	108384	109802	79935	0	146155	111605	51402	79127	59151	35241	78901	98404	174714	118132	48267	137355	74164	40501	168078	332713	251544	68868	54960	45097	41201	52044	0	55295	106150	55922	83812	77232	49685	88282	127154	74933	90929	50619	62291	48291	74190	85259	95691	72186	120431	0	111196	107996	89699	117721	116295	66034	43105	79393	73158	68909	91999	0	59586	176483	Phytochemical	0.37037036	1.1851852	0.0
16	C27 H32 O10	517.20685	517.2076	0.054994974	517.20685	156996	158769	141179	152080	94097	64307	94863	137878	122213	257785	153833	100120	116064	58215	96769	142391	107841	103846	143669	244659	244508	142352	128768	146700	105186	232670	92454	131199	110776	117251	126932	131069	118610	90269	271446	125409	131489	103700	133234	170933	171286	66700	3047	393	0	131529	142799	0	144743	122159	150291	157389	82338	0	138703	97450	71129	142723	114802	104682	159517	98196	126770	101858	58351	113504	84263	118388	209161	289222	316115	119194	107803	120680	113101	122504	0	95331	168647	95685	126442	103965	121235	129933	126940	70189	151915	64925	85916	187783	103924	126184	162056	92630	128133	854	156634	153103	104222	109393	100739	126906	83377	142758	91769	147436	102227	0	117386	122052	Phytochemical	0.37037036	1.1851852	0.0
2	C24 H36 O10 S1	517.2102	517.21155	0.058871154	517.2102	0	0	0	0	0	0	0	0	0	0	0	0	505	0	306	1621	642	0	0	0	0	0	412	3207	0	0	7358	0	489	60389	0	4712	0	557	0	2077	652	0	0	0	0	0	0	0	0	0	0	0	13183	1838	0	0	0	0	0	0	0	0	0	0	3362	0	0	0	0	0	0	568	0	0	0	0	1800	10157	22142	1107	0	454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20964	0	0	0	0	0	0	0	0	Organosulfur	0.41666666	1.5	0.0
8	C26 H32 O9 N2	517.2181	517.219	0.117026426	517.21814	8884	8292	7017	8931	3298	3695	4442	8173	3451	16010	8310	4376	6685	2908	6505	7202	4892	3156	5024	19494	18057	13203	5813	11605	5413	7207	3671	4670	8542	6710	7245	10570	8068	5486	23401	6206	10197	5002	5201	19419	12610	3769	0	0	0	12576	6410	0	7966	8114	11219	8910	2809	0	7281	3877	3151	7998	2603	4324	7162	8231	3421	5580	2318	2890	3496	7147	4043	18411	7150	8589	6413	4630	3610	6973	0	5488	8044	11059	4410	3412	3486	9444	2349	0	7578	4446	3214	13986	0	13464	13752	8235	15890	0	8808	8089	1473	2651	2917	6461	4412	10783	0	6590	1786	0	6403	5004	Phytochemical	0.34615386	1.2307693	0.07692308
12	C26 H32 O9 N2	517.2181	517.2189	0.06844894	517.2181	16646	20802	18146	22464	10002	9908	12286	18484	10451	32965	16686	11965	8191	4580	14014	18438	13640	11370	17845	46451	40769	30755	13136	18930	17738	16990	6171	15135	21392	16119	18064	15930	24234	16085	53672	19047	21838	14519	15577	36234	21766	9228	0	0	0	21945	13715	0	14060	10370	18675	20074	10091	0	15484	5807	6573	19016	8448	13238	0	17919	13489	12807	4636	12321	9877	19763	0	31520	24866	13847	17420	12123	11666	11605	0	11227	12674	14978	12861	13142	10396	20627	5398	5585	19085	11429	9914	25295	14925	29569	32082	16497	28973	0	17051	16516	6608	6090	6083	14052	10392	20078	0	18419	5770	0	14514	10660	Phytochemical	0.34615386	1.2307693	0.07692308
10	C26 H32 O9 N2	517.2181	517.21893	0.11659771	517.21814	13725	13867	13035	12635	7484	6369	6743	15918	5132	26418	12742	6439	7614	4445	8632	12484	6711	9472	11367	24677	29933	26324	8679	17647	12413	10646	6951	13568	10085	9213	9842	15808	16194	11929	38695	11216	15581	6164	9186	26941	18673	7465	0	0	0	20239	11923	0	14258	11037	11989	12202	6014	0	10131	4334	4230	14479	3412	4697	12445	13617	9767	7941	3144	8107	4500	7706	7194	20828	17699	10318	8358	9929	6780	10890	0	8232	10133	13124	6649	7631	7951	13224	3708	3716	11029	8041	7306	15578	22709	18839	24045	15403	26876	0	14378	13768	4771	4634	4167	15105	5903	19085	0	11875	3522	0	10174	7919	Phytochemical	0.34615386	1.2307693	0.07692308
26	C31 H32 O7	517.2221	517.22266	0.02641749	517.2221	5609	5378	6152	4537	3900	0	0	0	5502	3115	11657	0	6205	2848	0	0	0	0	10141	7830	8591	4371	0	6028	0	36357	0	11877	0	0	0	0	0	4967	8768	0	3763	0	0	9002	15758	0	0	0	0	7300	0	0	2157	0	4516	6778	0	0	0	0	4212	2801	3663	0	0	6403	5658	2941	0	3190	3192	5039	39131	19267	33046	0	0	0	0	0	0	0	5362	0	0	0	0	9134	0	0	5385	0	0	3446	3266	2904	9878	4961	0	0	6105	0	6521	10789	6244	0	0	0	0	0	0	0	3287	2462	Phytochemical	0.22580644	1.032258	0.0
22	C31 H32 O7	517.2221	517.2228	0.017902229	517.2221	7699	6988	5611	7306	5509	3294	4005	3778	3815	7043	12445	2893	0	6519	4627	5518	7211	5165	2289	9351	8865	5216	2768	7705	5906	38081	3141	10988	7274	6266	4222	0	2811	4274	8837	4189	0	3537	3627	11852	13949	6190	0	0	0	3884	4153	0	0	4884	5220	4379	5051	0	4853	4612	4274	6456	6111	4736	6194	6687	1940	5233	3822	4972	3124	7359	34362	37358	52162	3041	2245	3275	3356	5222	0	0	8704	7206	8832	4113	3630	8018	8327	6125	7006	2583	5077	7360	6361	0	7445	4298	6104	0	4230	4292	8044	6742	3792	6449	2662	7887	3590	5281	5101	0	4171	3053	Phytochemical	0.22580644	1.032258	0.0
24	C28 H36 O9	517.2432	517.2439	0.13687435	517.2433	302953	296061	279235	285983	317914	220326	122625	246084	330248	602147	337316	128282	444076	176114	216151	245648	139866	366782	419881	649595	565277	282135	239723	273941	207430	592007	109402	318815	240645	210411	218508	231066	274743	195691	779268	228381	347970	188941	152815	383322	237123	148329	8164	4016	36126	281958	183409	3385	271325	207079	280066	282174	231558	48951	414816	284585	150134	263505	236177	112924	286249	243747	415081	313248	128287	316374	192550	150671	501178	974939	749548	227657	214721	188202	130090	209705	0	175339	293264	145041	259061	169583	174657	244940	327186	189439	256190	145751	197300	179843	273784	310995	335768	171778	290715	10840	291456	284163	223584	292029	304556	242023	148559	298085	177123	216848	242591	3684	174478	402642	Phytochemical	0.32142857	1.2857143	0.0
18	C28 H36 O9	517.2432	517.24396	0.1029615	517.2433	211925	222342	196296	182239	166336	103369	145264	195564	158580	224879	189500	134417	178045	100515	154348	234850	180746	148147	225362	295391	268823	159551	181453	211378	145394	311439	141347	158030	184503	170800	157477	199454	203928	148954	248186	189985	184818	152937	212128	193761	198635	114407	3368	3103	15557	142855	152411	1550	195134	164792	210272	199597	133230	33867	218278	180126	112213	211671	138089	132971	183996	124637	190393	175532	96318	151930	135262	214454	238556	355636	405484	129995	127292	166176	188618	189467	0	125373	257263	123927	202109	111632	144152	142360	216605	127717	237981	102376	114018	210433	165302	182261	225531	112839	157002	3729	191767	200858	147860	204751	208208	201900	129395	185259	90868	163385	154564	2313	178135	171648	Phytochemical	0.32142857	1.2857143	0.0
22	C28 H36 O9	517.2432	517.24396	0.15798448	517.2433	501744	487120	439194	476347	504637	328574	243431	438990	535435	895670	558983	268989	495069	292125	391222	455021	277621	492333	543755	984847	917228	446722	396476	457504	370305	981447	230226	552953	422067	372342	376182	430521	481967	348510	1036222	382482	486446	328148	282562	593035	426122	257188	12655	7651	28312	418617	301588	3571	424497	365891	482859	484049	367678	56192	620609	444684	266297	438477	375850	224027	431735	405869	601793	443879	220157	477203	310778	302982	774832	1453214	1211520	350885	317921	354763	258490	356442	856	338720	532691	242226	428102	277800	323160	390067	519099	307224	469266	233664	297806	326080	460902	529372	519143	275077	394538	16880	441435	482975	382073	479468	432145	452661	286574	463917	259218	383581	410650	6604	309411	599045	Phytochemical	0.32142857	1.2857143	0.0
20	C28 H36 O9	517.2432	517.24396	0.1499125	517.2433	411383	397296	383948	370524	375072	239458	238148	364893	374921	573887	414651	253551	378956	230900	338135	403586	292644	309396	452132	681388	644183	337699	321554	399784	270556	715085	233611	387115	338515	305426	305809	344413	387492	260578	677627	309399	376001	285423	302952	421867	387898	234593	8063	7989	31786	313638	290154	5047	350047	309857	383606	402330	287711	86120	428502	350018	215729	377869	292955	222737	354167	264724	411581	357209	199055	354631	235641	325183	551064	907185	960043	277045	276892	312203	306998	308655	0	254800	459154	217787	353448	199398	280194	377260	452364	247147	439865	197846	242070	325144	365258	382415	476121	221003	300857	19279	392194	366563	315435	373945	372974	355958	234786	391537	205679	330564	328877	7238	283658	414515	Phytochemical	0.32142857	1.2857143	0.0
26	C28 H36 O9	517.2432	517.24396	0.078922205	517.2432	100331	97258	99142	89566	111930	67644	34692	88323	119075	160721	101430	43876	163294	74673	86785	97992	46902	132932	156097	192788	191593	91479	79182	97682	79234	207723	30218	98330	95337	86296	76983	80031	93744	67752	214603	84572	109824	61149	53726	128103	96921	61604	0	0	19468	97707	77167	0	90631	76969	100812	94156	78219	28755	152023	120704	53176	81771	78971	39678	95455	78202	149299	108915	38454	106122	66514	56310	194614	317365	270117	71941	67443	69971	49804	67083	0	64386	106425	53042	93174	54271	59710	79818	125871	80527	83480	47659	66530	56145	87835	98922	113452	54767	86509	7862	91100	113752	76550	121237	130795	99641	48553	105459	58243	66179	106676	0	58160	131269	Phytochemical	0.32142857	1.2857143	0.0
14	C28 H36 O9	517.2432	517.244	0.0533722	517.2432	26878	25874	22478	25640	14885	10471	25172	33442	13894	17042	16258	19323	11203	7461	19664	32052	29640	9095	15666	20760	21580	20777	20237	31782	24234	23555	27477	12420	20825	26701	23756	42760	26248	10181	20033	20890	13605	23869	35500	14183	32238	13714	0	1602	746	13473	16541	0	27266	27064	24535	24958	12102	512	16273	14843	10013	33928	19169	28365	25385	9514	18866	17565	11247	10511	10581	34897	0	24092	34061	13323	18979	27644	32377	27241	0	15785	31960	0	28424	15688	24109	13903	21880	14779	40325	9162	10289	43183	21446	22583	33785	11361	13619	0	26443	27358	13683	25246	22827	27151	15325	27107	15180	18070	18400	0	25248	12065	Phytochemical	0.32142857	1.2857143	0.0
8	C22 H36 O10 N4	517.2504	517.25116	0.46347788	517.2507	0	1224	1407	920	0	0	0	880	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1149	0	1092	0	0	0	0	0	0	0	1340	0	0	0	1041	0	0	0	0	0	0	0	0	0	0	0	1278	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1063	0	0	0	0	0	870	0	734	0	1284	875	0	0	0	0	0	0	0	0	0	0	0	25383	11620	1642	0	0	0	0	0	0	0	0	1018	0	0	0	0	0	0	906	0	Peptide	0.45454547	1.6363636	0.18181819
20	C27 H36 O8 N2	517.25446	517.255	0.068892986	517.25446	8830	11018	9850	8450	4814	6220	7793	11111	2914	8025	4964	8143	0	4983	9043	13782	9601	4902	5391	14489	11586	15271	7737	16867	13208	5533	6016	8693	14510	8934	16282	16134	15062	12509	8885	16391	18995	8285	9562	13680	6955	8046	0	0	0	9469	5271	0	17666	8462	8658	13577	7226	0	5608	2798	4390	19880	12204	10143	14996	9843	1749	6691	2776	4877	6006	14035	1267	11930	5224	8718	12649	9912	10188	17052	0	11603	9065	4025	7087	3425	13078	11490	2947	3220	13740	10087	10060	19659	22991	22824	29507	6703	9954	0	12948	9417	4019	1546	1940	18832	8693	20036	5414	18308	4031	0	10563	6471	Lipid	0.2962963	1.3333334	0.074074075
18	C27 H36 O8 N2	517.25446	517.2554	0.15140715	517.2545	9353	10825	9535	7213	5265	6154	10394	11955	3009	9642	6384	7655	2731	1783	10677	17204	14047	3962	6662	11088	6320	13367	7412	19696	7432	4731	7449	9918	12868	11337	12814	17895	12904	15604	7145	15538	13345	10651	16870	12737	6700	6842	0	0	0	7544	5094	0	12192	14065	7039	11467	6811	0	4817	1330	4546	18022	6804	10163	14543	5233	2340	2249	2093	4184	7259	12017	3320	7775	4991	14944	8874	8517	10727	12961	0	8042	12002	6289	5482	5421	10285	7491	3309	2193	10193	10264	6403	18455	13800	21425	25401	5060	9835	0	8276	9353	3472	1796	2940	21232	9013	10969	5408	12946	0	0	11862	2534	Lipid	0.2962963	1.3333334	0.074074075
22	C27 H36 O8 N2	517.25446	517.2551	0.19968954	517.2545	5350	10262	7041	7944	4159	7165	6385	6466	3038	3296	2660	4888	0	7341	4952	9398	4750	4564	2979	9248	6648	4254	8023	12001	8707	3221	5352	4141	11934	7292	10404	13370	9326	11802	6032	10488	10394	5142	6516	7126	5642	5316	0	0	0	8445	5025	0	12332	7330	9138	6843	6770	0	6292	2645	1816	9623	7094	3995	13668	5770	0	1368	2371	5227	5369	6715	1574	6075	2349	7271	9452	7845	3969	8892	0	4852	6454	4312	4459	1406	8829	3461	2130	3382	5935	4969	5099	13348	21583	17780	16209	3944	7874	0	4765	9004	1784	1941	0	9360	7160	14389	3495	8784	0	0	8020	5516	Lipid	0.2962963	1.3333334	0.074074075
26	C32 H36 O6	517.2585	517.259	-0.03483483	517.2584	5705	5479	6717	7814	4155	0	3626	6708	7134	3160	14325	0	0	3272	0	0	0	0	4686	9267	6623	3898	0	5982	9302	41818	3598	14616	0	9409	7032	6219	4574	6358	6866	0	5872	4327	6489	10255	12404	0	0	0	0	5565	0	0	10745	7129	6383	8331	4856	0	4824	6489	5459	6094	0	5297	9245	6318	0	5460	0	3609	6766	5866	32341	16174	23777	4363	5669	11897	0	7773	0	0	9806	0	5992	0	5792	11897	9384	0	10327	5747	3412	6229	5000	4044	10071	3867	0	0	9914	0	5239	10963	8138	9424	5512	8537	0	6253	7995	0	7620	0	Phytochemical	0.1875	1.125	0.0
24	C32 H36 O6	517.2585	517.2591	0.048499502	517.2585	9270	6240	6475	6674	5292	1875	3800	9347	7863	4573	11517	6106	3990	4697	7506	11764	9405	0	6584	10023	8025	8011	5130	12024	7781	37332	5084	11214	7861	8403	6876	8527	9013	5553	8630	10461	7791	7386	13614	11183	15526	3280	0	0	0	4342	8012	0	6990	8393	7136	8545	5844	0	4410	5112	2804	5769	6361	6646	15135	6423	3789	2868	4613	4832	8211	12444	25576	16712	29543	6573	7967	7641	3532	10964	0	6796	12864	5174	10440	5104	5675	12106	8849	6464	10962	6876	4704	10822	5683	5059	12813	2868	4183	0	6178	5754	5515	9863	7868	10792	5881	7420	3318	9947	5393	0	8630	1170	Phytochemical	0.1875	1.125	0.0
2	C29 H40 O6 S1	517.26184	517.26263	-0.10490513	517.2618	817	635	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29153	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	630	0	0	0	0	0	0	0	0	0	0	0	0	847	0	584	0	0	0	0	0	0	0	0	0	0	0	41852	0	0	0	0	0	0	0	0	0	0	6172	2201	0	1578	0	0	0	0	615	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.20689656	1.3793104	0.0
6	C29 H40 O6 S1	517.26184	517.2628	0.32107276	517.262	0	721	0	0	0	729	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	584	0	0	13243	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37655	0	0	0	0	0	0	0	0	0	0	11561	4175	1237	2377	1292	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.20689656	1.3793104	0.0
4	C29 H40 O6 S1	517.26184	517.2628	-0.04484655	517.26184	0	0	0	0	0	800	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22062	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	353	0	0	0	0	0	0	37498	0	0	0	0	0	0	0	0	0	0	9271	2541	0	1168	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.20689656	1.3793104	0.0
18	C29 H40 O8	517.2796	517.2803	-5.55184E-4	517.2796	46352	50913	60061	53944	50209	23514	55433	55009	41263	27726	30842	45685	39914	29241	57708	72214	98296	31468	46497	41942	44500	31723	52224	52384	39806	53939	65078	39438	48685	49035	47980	60129	57986	38714	31875	66089	52972	50402	106906	27377	45820	36416	636	0	0	30358	37492	0	54072	52838	55885	58801	43365	0	65238	54888	39524	64592	36061	40186	60150	18545	55886	50243	32734	43997	38269	115416	36227	38248	53496	24356	32401	59291	86125	69442	0	34472	91006	33239	72035	24030	42334	30205	85474	45325	84710	25994	33245	106869	35496	47630	70445	22468	33934	0	56375	46348	49081	83783	101047	69339	36815	51153	22140	42988	61909	0	61688	29953	Lipid	0.27586207	1.3793104	0.0
24	C29 H40 O8	517.2796	517.2803	0.08699561	517.27966	392378	393663	392621	380868	486241	259930	229609	339527	453044	524418	417326	204540	470355	243540	298074	388409	292555	406200	610548	669017	629769	303663	329504	383524	278235	716998	238127	423728	361139	318375	314947	340547	425008	288260	653594	366928	474171	276312	318002	429968	337397	245036	9588	0	0	299227	235239	0	372995	301167	384514	383092	374936	0	633767	433290	232995	418932	312693	200211	391223	268610	515495	443350	194424	411011	288104	337886	598081	943741	838447	269676	274225	297925	253086	318158	0	251623	462637	228083	352052	205123	291330	312706	546549	343750	423960	225574	294939	319477	401905	405687	436569	225122	335901	0	399470	408306	321947	494253	539859	445953	223233	447171	206510	330931	413422	0	282306	480002	Lipid	0.27586207	1.3793104	0.0
16	C29 H40 O8	517.2796	517.28033	0.01433001	517.2796	10253	11215	14251	13945	9496	6597	20889	14833	10953	5285	7256	10162	5341	8059	14222	20550	30087	9644	13656	6705	8881	9974	15211	13765	10943	5638	19495	5549	11690	21141	13129	11727	16719	6646	7850	12045	9312	17562	37804	2595	6555	8622	0	0	0	5426	5382	0	19263	11986	17018	16940	11487	0	16589	14764	8953	16043	5725	15659	12516	2686	9083	7802	6606	7436	7485	33111	6794	10401	10376	7579	7711	18958	28247	14476	0	12589	28488	5670	17261	5297	11468	4761	24281	14063	30864	5550	6835	35487	12198	11869	0	3488	7672	0	18410	12419	9380	30337	35274	17653	9858	12001	0	0	14140	0	17169	8199	Lipid	0.27586207	1.3793104	0.0
26	C29 H40 O8	517.2796	517.28033	0.0765837	517.27966	213861	199509	211303	197360	268889	129677	116177	218128	267365	245620	225023	103747	290719	148068	191328	212652	136006	260267	354041	411522	343180	189236	173808	216560	194504	423411	114332	256460	222197	208191	179444	190228	245870	152726	365071	224386	268091	149397	146734	249832	180119	140994	0	0	0	184255	145666	0	199362	167672	210954	205250	196098	0	376013	302594	133161	210951	179720	100190	219372	154215	289332	238415	100277	208949	173865	159894	378091	550629	423456	150803	146733	197111	129873	167938	0	145056	233355	128568	176678	120366	164815	175479	305502	192664	223776	114966	161028	153396	213378	260022	255931	132339	177518	0	213344	219243	165162	297118	320833	250389	101202	246269	134347	159286	250559	0	159724	253116	Lipid	0.27586207	1.3793104	0.0
28	C29 H40 O8	517.2796	517.2803	0.025851766	517.2796	38615	36313	39868	35403	53078	20373	32714	37427	46540	42452	34494	15566	59084	25544	25655	32358	30001	33424	59602	55791	44068	29663	29909	35928	38084	84340	30569	42699	37278	38865	30129	33636	42858	24442	61437	35145	45307	28608	27093	38435	34639	22250	0	0	0	25372	21871	0	36156	29828	35906	34429	38982	0	59284	56402	19778	40763	29495	16038	38830	23696	50366	43231	20485	51748	30984	29348	75182	88898	101900	19485	22322	29971	17628	29471	0	20551	45997	26318	30509	18850	27254	32776	68376	31448	49417	19330	23450	34398	48072	44289	42983	26537	26354	0	38530	37165	32812	78575	86944	44964	16433	44675	16671	34439	46208	0	25330	42365	Lipid	0.27586207	1.3793104	0.0
22	C29 H40 O8	517.2796	517.2803	0.052265298	517.2796	330296	302889	290763	308733	385190	199783	241757	282990	328431	314630	285469	199084	300496	207498	271707	341427	335581	304714	399124	394283	398703	244679	266574	296708	235733	486504	224892	300098	281735	254106	238098	306558	343573	215493	369955	306187	322168	244647	356214	274096	265685	202083	5395	0	0	207578	212836	0	278756	252039	312967	293823	277110	818	429423	341856	215509	337847	218236	204983	325760	182747	374065	332924	179765	299220	226088	351956	386677	559065	569309	201175	198892	237368	283185	269803	0	210940	420644	176433	305859	163250	242609	217960	468402	270084	372732	176288	213704	329179	315738	362087	333403	184036	239478	0	280589	302294	270599	445977	424044	367136	190374	316021	158688	271883	368295	0	241143	366144	Lipid	0.27586207	1.3793104	0.0
14	C22 H44 O13	517.28546	517.2862	0.185597	517.2856	44090	35698	41544	37061	5935	4308	12662	0	1965	29995	107148	6570	1499	10921	1018	0	3465	1576	1661	9336	2233	26587	2201	5693	0	0	67011	91202	0	0	1825	0	2055	3033	2088	2060	1464	2388	2117	34666	87163	3693	14867	593	297	43286	51352	1360	5318	0	38316	35382	1418	628	0	0	3344	28953	184358	55842	245702	43718	14539	0	1502	10696	10657	8894	31387	19465	20604	5733	1803	0	0	5242	708	3371	0	86174	0	1963	1563	1626	0	0	1397	5248	3468	18684	1069943	504462	7696	37742	18508	1167	48515	22936	879	0	0	3559	2048	68081	868702	2633	0	1328	1635	3912	Lipid	0.59090906	2.0	0.0
8	C23 H40 O9 N4	517.2868	517.28735	0.14243788	517.28687	4585	4890	6260	2477	0	12460	0	0	0	0	1762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52001	0	0	0	0	1573	0	0	0	0	0	0	0	0	632	0	0	0	0	0	0	0	0	4423	3776	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	58508	0	0	0	0	0	0	0	0	0	0	443269	269699	0	9927	0	0	4448	4318	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.39130434	1.7391304	0.17391305
10	C23 H40 O9 N4	517.2868	517.28754	0.18780844	517.2869	24442	19884	17537	20076	1363	13618	0	0	0	1964	9846	0	0	1565	0	0	0	0	0	0	0	0	0	0	0	0	0	105432	0	0	0	0	1418	0	0	0	0	0	0	0	0	1836	0	0	0	0	0	0	0	0	18379	20842	1110	0	0	0	1050	0	0	0	0	0	0	0	1689	0	1758	0	0	0	0	0	0	0	0	0	0	0	0	91621	0	0	0	0	0	0	0	0	0	0	2421914	1630841	0	20594	9732	0	25327	25488	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.39130434	1.7391304	0.17391305
12	C23 H40 O9 N4	517.2868	517.2875	0.016773801	517.2868	17803	15115	16888	18993	0	2711	6003	0	0	5542	7837	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13387	99026	0	0	0	0	0	0	0	0	0	0	1452	0	45619	0	0	0	0	2739	16494	0	0	0	21823	13358	0	0	0	0	0	0	0	39370	0	0	6402	0	0	0	0	0	26170	0	3999	0	0	0	0	0	0	0	0	33135	0	2411	0	0	0	0	0	0	0	7443	1733453	1520201	0	19816	5762	0	16540	16740	0	0	0	0	0	0	0	0	0	0	0	1687	Peptide	0.39130434	1.7391304	0.17391305
22	C28 H40 O7 N2	517.29083	517.2915	0.15088035	517.2909	5178	2247	2736	2352	0	1824	7291	32676	0	0	0	2022	0	0	4479	11391	12457	0	0	2324	0	1479	5091	3313	4668	1740	3540	2160	13802	21144	28437	13790	14330	11279	1524	11674	7563	5039	11585	1399	1482	3505	0	0	0	1754	0	0	32143	24347	4980	4432	0	0	0	0	1960	14537	1456	2823	11603	1188	0	1167	0	0	2348	14976	0	0	0	32240	9382	7083	12831	15033	0	6403	1685	0	2804	1784	3401	0	0	1323	2932	6348	2880	8688	9184	5165	6916	0	2733	0	4421	5715	0	1541	0	10155	3501	5080	0	14547	0	0	3986	0	Lipid	0.25	1.4285715	0.071428575
8	C30 H44 O5 S1	517.2982	517.29865	-0.3498112	517.29803	0	0	0	0	0	1010	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	980	1314	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37021	0	0	0	0	0	0	0	0	0	0	36784	22939	0	1941	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.16666667	1.4666667	0.0
2	C30 H44 O5 S1	517.2982	517.2988	-0.041061535	517.2982	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15856	0	0	0	0	0	0	0	0	0	0	12400	1608	0	1294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.16666667	1.4666667	0.0
6	C30 H44 O5 S1	517.2982	517.2988	-0.25395808	517.2981	0	891	0	0	0	2728	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53775	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	917	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67981	0	0	0	0	0	0	0	0	0	0	47716	34178	0	4893	0	0	908	1323	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.16666667	1.4666667	0.0
4	C30 H44 O5 S1	517.2982	517.2988	-0.2911862	517.2981	0	0	0	0	0	1496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17137	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32462	0	0	0	0	0	0	0	0	0	0	21548	10532	0	1320	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.16666667	1.4666667	0.0
18	C30 H44 O7	517.316	517.3167	0.030850787	517.316	2137	4650	3662	2498	4503	0	4323	3050	2898	0	0	1803	1891	4952	3058	6580	7792	0	4733	0	0	0	1512	0	3794	2934	7236	0	0	1803	1421	3065	2452	0	0	0	2288	3216	8952	0	0	2397	1407	0	0	0	0	0	0	1875	2886	3757	2984	0	6087	6096	3055	1098	1338	0	2305	0	0	4355	5479	2878	3013	14743	1025	0	3162	0	0	2871	8301	0	0	0	9352	2773	3217	0	2867	0	14738	6478	6207	1116	0	10851	0	2012	0	1384	0	0	3599	3277	3292	11548	20290	3485	1662	2320	0	0	6326	0	4401	2286	Lipid	0.23333333	1.4666667	0.0
20	C30 H44 O7	517.316	517.3167	0.07624368	517.31604	19745	20867	18280	18729	24501	10884	27209	12097	22205	5122	7736	15276	19145	20602	16074	25153	40140	10624	23993	4304	7915	7006	16034	12708	17104	5198	30498	8257	19423	15606	12523	14465	17830	6498	6261	20288	16989	18432	49930	3789	10515	9855	0	0	0	7014	9349	0	17001	11385	15474	20010	15290	0	33438	30110	20212	23462	12924	16631	17033	1540	22750	25819	21033	20697	18574	45612	4805	5093	9568	6875	8171	17310	38794	15760	0	12293	33302	10551	25240	5659	18052	0	52472	31403	38721	10876	12871	47103	18155	16105	23517	10281	8299	0	18039	19834	20810	61804	68865	25043	10675	18671	9335	14916	37341	0	23106	17057	Lipid	0.23333333	1.4666667	0.0
14	C23 H48 O12	517.32184	517.32275	0.1333168	517.3219	38949	33837	41579	37582	1480	0	0	2540	0	714042	582559	0	0	0	0	0	0	0	0	0	0	4568	0	0	0	0	975	0	0	5082	0	0	0	0	21928	0	0	0	0	58096	25062	0	6780	0	0	35446	45229	0	0	0	40966	35601	0	1247	0	0	0	0	2821811	52463	0	225748	0	0	0	1316	1006	0	0	0	0	8492	0	0	1507	0	0	0	0	0	0	0	0	4154	0	0	0	0	0	0	5139	0	0	96451	9459	0	46693	28015	0	0	0	0	0	247403	2903369	0	0	0	0	0	Lipid	0.5217391	2.0869565	0.0
22	C30 H48 O3 N2 S1	517.3458	517.3467	-0.35850236	517.34564	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2672	0	0	0	1549	0	0	0	0	0	0	674	0	0	0	0	11582	5132	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	307	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26688	1372	0	0	0	0	0	Organosulfur	0.1	1.6	0.06666667
28	C31 H48 O6	517.35236	517.353	0.009624035	517.35236	12876	11585	8566	11648	15037	6670	45189	12115	23903	1251	8228	6258	5815	9618	9384	12102	31912	9226	24496	3064	0	4862	7933	5436	28902	7172	35924	12842	19899	19349	10623	12768	21400	9597	3752	20350	17110	14448	32045	2908	2043	6470	0	0	0	6249	0	0	13103	13062	9755	10971	12910	0	30578	20640	9430	15725	16583	3662	12451	5889	10370	13651	10603	9379	15022	37907	4137	2892	1416	3717	7753	16669	7025	10991	0	9046	25739	12596	9658	7475	17624	11207	41707	22617	35587	6754	8507	16968	21940	20870	15578	9166	2356	0	11991	11415	16010	37404	47895	24511	8107	13307	12741	11885	40272	0	18120	6790	Lipid	0.19354838	1.548387	0.0
24	C31 H48 O6	517.35236	517.35297	-0.030705424	517.35236	9798	5855	6017	8220	7589	3533	26801	6258	8953	0	2551	5348	5392	11153	9825	12272	17627	4359	12501	0	0	1544	3836	2376	10130	2616	18555	4069	7415	8463	6897	8719	10653	5001	0	12708	10127	8603	20534	0	1146	2839	0	0	0	0	1320	0	5187	6484	4557	8053	8670	0	11371	14380	9516	12063	4160	3879	8257	879	4711	4819	7223	3516	8122	21457	0	0	1657	2128	4366	9767	10169	8583	0	5021	11369	3857	5375	2853	10373	5176	21516	20986	21355	3823	7615	15251	7814	7536	8194	3369	1397	0	6389	5970	10901	22875	30854	14502	5226	5521	3176	7223	22713	0	11763	3250	Lipid	0.19354838	1.548387	0.0
26	C28 H52 O8	517.3735	517.3738	-0.031718083	517.3735	2640	0	2621	2561	0	0	0	0	0	0	0	0	0	0	0	0	61659	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5701	0	0	0	0	0	78910	0	0	0	0	0	0	0	0	0	0	0	2369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	104893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1447	8790	2096	0	0	0	0	3075	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2857143	1.8571428	0.0
22	C23 H19 O13 N1	518.0929	518.09375	0.17529665	518.093	5279	8798	8809	6137	16086	7783	1569	1640	16091	6749	2981	1417	26794	5796	3902	0	0	27723	10307	9323	13000	28482	3328	2632	3263	1739	1916	0	0	1435	0	0	2331	0	11933	0	3642	3618	0	5249	8117	2386	0	0	0	17658	35429	0	0	0	4490	8513	8613	0	22799	15239	4980	0	1783	0	2925	5790	29045	17459	5615	14928	5369	0	2597	1976	1754	0	0	0	1722	0	358	0	10444	22425	5670	18586	1663	3288	18980	7052	5995	4029	3774	1317	2040	3098	4192	32886	35672	0	9012	7889	12588	12933	15437	3209	1665	3137	18117	2207	15875	0	1539	33466	Phytochemical	0.5652174	0.82608694	0.04347826
28	C23 H19 O13 N1	518.0929	518.09357	0.10971605	518.09296	7094	5598	5872	5668	9021	6162	1396	0	11267	12942	1798	1194	20288	3458	3122	0	0	18471	12387	6638	12627	19139	3809	0	0	0	0	0	0	0	0	0	1902	0	15978	0	1590	2349	969	4252	6185	0	0	0	0	8603	15856	0	1337	0	6725	5373	5903	0	15605	9056	3099	1124	1351	0	1977	4098	18182	12268	3288	9737	3232	1017	3055	2911	4135	0	0	0	0	1202	0	1424	5731	9236	5729	7516	0	2730	12985	5871	4042	2219	2837	1775	1590	3435	3320	16028	25215	0	6468	6314	5806	8689	10081	0	1517	0	9511	1685	8060	0	1980	22133	Phytochemical	0.5652174	0.82608694	0.04347826
26	C23 H19 O13 N1	518.0929	518.09357	0.07100202	518.09296	5467	6576	4462	5840	9856	6179	0	0	11178	12602	0	0	24147	4154	0	0	0	21000	13319	5420	12270	21223	0	0	0	0	0	0	0	0	0	0	1834	0	11355	0	2164	0	0	5597	4780	0	0	0	0	11353	20288	0	0	0	6112	6456	6743	0	14239	11207	2994	0	0	0	0	5245	21041	13971	3458	11048	4281	0	0	1785	2517	0	0	0	0	0	0	0	6120	9556	4226	9561	0	0	14008	9245	4142	3172	2593	1824	1821	1557	0	17259	25546	0	5783	6260	6888	9803	9380	0	0	0	13490	0	4437	0	0	21624	Phytochemical	0.5652174	0.82608694	0.04347826
14	C23 H19 O13 N1	518.0929	518.0939	0.1586858	518.093	7034	7555	4512	7630	12100	2914	0	1665	16873	13219	5851	0	22987	4991	1501	0	0	12339	13827	10475	18538	36462	3379	0	1335	0	0	0	0	0	0	0	3774	0	29951	0	0	1154	0	3833	18535	2159	0	0	0	13018	31443	0	0	0	8199	4410	5321	0	11145	16899	3323	0	0	0	0	10756	36333	12588	3160	14780	3725	1841	0	1913	5837	0	0	0	0	0	0	1648	4049	23652	2480	14492	0	1471	19469	5798	3525	3155	3287	0	0	3620	2275	45793	27022	0	6523	8673	10871	17249	16331	0	0	0	18584	0	11635	0	0	22592	Phytochemical	0.5652174	0.82608694	0.04347826
24	C23 H19 O13 N1	518.0929	518.0936	0.16922694	518.093	6893	7592	4572	3988	9693	6697	0	0	13536	12097	2104	1392	26760	2775	2831	0	0	17155	13349	8953	11720	21121	3259	1571	0	0	0	0	0	0	1305	0	1447	0	10127	0	1172	1811	1663	6238	6969	2289	0	0	0	12422	25187	0	1272	0	5858	6635	8724	0	18419	10494	3516	1709	2127	956	1528	7516	29671	14669	3148	9559	1803	0	4686	0	3472	0	0	0	0	0	0	0	6348	15301	5438	12071	0	1948	14637	6365	3562	1485	3136	3166	1999	2414	1977	22025	27284	0	5885	6781	7889	7471	8611	0	919	2736	17488	1924	8881	0	2227	22135	Phytochemical	0.5652174	0.82608694	0.04347826
16	C23 H19 O13 N1	518.0929	518.09375	0.1573382	518.093	10133	10148	13911	11760	23367	9918	1897	0	22609	22995	11266	2199	36091	5746	4110	1661	0	21733	20391	16370	38789	51276	3353	2122	1703	0	2204	2329	0	0	0	0	3609	0	42368	0	2111	2470	1641	11303	23453	5941	301	0	0	23389	48075	0	1875	1380	13777	8158	8533	0	25328	20425	5722	3531	1518	2783	0	13520	48990	24780	8847	25355	6386	2722	4767	3274	4862	0	0	0	0	0	0	0	9551	35954	4980	26091	1284	3719	24469	7965	3993	5833	3592	0	0	5417	0	60321	40560	0	13071	13151	19000	24436	21999	2980	0	2871	35405	0	14832	0	1910	35640	Phytochemical	0.5652174	0.82608694	0.04347826
20	C23 H19 O13 N1	518.0929	518.0937	0.14614294	518.093	16316	10313	11515	12407	21292	9336	2318	1932	20646	17364	7391	2488	42568	5758	3447	2089	0	26314	23026	16124	29121	33186	5625	0	3823	2216	0	2033	0	0	1519	0	3450	0	18688	0	4314	4931	2102	13529	15192	5689	1114	0	0	25938	50813	1162	0	0	7069	10233	11553	0	25656	23982	7101	3241	3494	3310	3358	12828	48240	26606	11066	25903	5658	3573	1764	4163	2685	0	0	0	1508	0	0	2098	8377	40354	3605	23199	0	0	26020	10771	8439	6988	6843	0	3005	3354	5464	41791	35890	0	16367	10617	19005	22813	25929	4739	0	3677	36352	3400	24183	0	2771	34721	Phytochemical	0.5652174	0.82608694	0.04347826
18	C23 H19 O13 N1	518.0929	518.0937	0.19338308	518.093	13811	10871	10351	13909	17433	10410	2030	2813	23783	26849	12498	2920	56240	11017	2725	2207	2977	26426	28090	13339	33445	56400	9512	4475	2450	1373	3834	3906	0	0	1371	0	4270	0	35987	0	5590	3993	2025	12439	22016	4383	418	0	0	30811	50003	0	0	0	14466	8997	11385	0	29159	24634	9873	2689	2206	4216	3555	17291	40850	20238	9989	20263	5892	0	5490	2038	5660	0	0	0	1919	0	0	1951	11152	40774	6737	30164	3411	3898	29932	18089	6997	9134	7629	4611	0	6272	3412	59700	62299	0	12468	17033	20483	25049	25953	4298	1533	3092	32408	0	22459	0	3114	36817	Phytochemical	0.5652174	0.82608694	0.04347826
16	C22 H19 O12 N3	518.1041	518.1052	0.22423454	518.10425	2690	4095	3186	5002	8324	2774	0	0	11495	8966	1909	0	11411	3507	0	1780	1598	2700	12134	3244	4235	10774	3669	2652	0	0	0	0	0	0	0	0	0	0	18243	0	1861	1226	0	4921	7853	1782	0	0	0	11036	16528	0	0	0	2310	3488	2328	0	10113	6048	3280	0	0	0	0	5227	26880	7654	0	12772	3062	0	2631	4294	4147	0	0	0	0	0	0	0	3897	5979	4498	12486	0	2311	11958	1919	2754	3614	2424	0	0	0	0	15061	17302	0	2098	6885	5182	12941	10703	1577	0	0	7949	0	5587	0	0	12642	Unclassified	0.54545456	0.8636364	0.13636364
16	C20 H23 O15 N1	518.1141	518.1149	0.18888065	518.11414	12601	8597	9595	5845	27271	17736	1514	0	40226	6358	7641	7895	58404	6404	6175	0	5611	34615	38710	9305	17603	17306	15681	2346	0	0	2340	2546	2308	2355	1941	0	3648	1665	5633	2540	3349	4750	1742	0	15946	14296	697	0	0	29436	89758	0	2716	2602	11669	5957	16556	0	38506	36521	9461	1900	3770	3476	0	12152	47655	32942	13225	17254	13871	3074	5495	0	3145	2483	1944	2257	5463	1571	0	3652	4175	16606	3764	37536	0	0	33769	13048	4195	14595	13732	0	0	2334	0	25916	10609	0	9264	12347	27155	20559	27420	8666	7034	4839	62116	0	30263	0	1636	54761	Phytochemical	0.75	1.15	0.05
26	C20 H23 O15 N1	518.1141	518.1149	-0.003283756	518.114	0	0	2639	2750	3990	6636	0	0	5107	3481	0	0	5328	0	0	0	0	4906	5402	0	9091	4856	0	0	0	0	0	0	0	0	0	0	0	0	4348	0	0	0	0	0	5637	0	0	0	0	18084	62144	0	0	0	0	3047	0	0	4645	0	0	0	0	0	0	6818	4270	3167	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20196	0	0	0	0	0	0	0	0	0	0	0	7870	0	0	0	0	6122	0	0	0	0	0	42918	0	0	0	0	7807	Phytochemical	0.75	1.15	0.05
10	C20 H23 O15 N1	518.1141	518.11505	0.21253306	518.11414	4225	4448	3500	3169	8388	3382	0	1536	12356	2971	2750	2877	24564	1703	1756	0	3138	12835	13085	2182	4448	7732	3586	1405	0	0	0	0	0	0	1197	0	1437	0	3395	0	1123	1286	0	3134	4606	5698	0	0	0	5078	20475	0	1470	1652	2944	4155	6519	0	9252	21739	5497	1334	0	2246	0	2406	23299	14611	4737	14571	4548	2775	0	0	0	0	0	0	2592	0	0	1782	3438	6766	2156	5303	0	0	22309	4071	2432	4264	3653	2450	0	0	3702	12454	5154	0	4158	5866	14509	16825	19839	3162	2116	0	0	1622	14496	0	0	18159	Phytochemical	0.75	1.15	0.05
28	C20 H23 O15 N1	518.1141	518.11487	0.045900367	518.1141	4015	3370	4007	4065	5138	4410	0	0	5310	2564	3653	1296	4854	1505	0	0	0	7566	4751	5772	12661	6514	3149	0	0	0	0	0	0	0	0	0	1535	0	5317	0	1399	0	0	3421	8506	0	0	0	0	21865	62161	0	0	0	4366	2675	4438	0	5277	2273	1390	0	1505	0	0	8465	3318	5215	1664	1951	3970	0	3239	0	3118	0	1130	0	0	0	0	0	0	7396	0	21258	0	0	0	0	0	1611	1563	0	0	1345	0	8789	0	0	4050	3118	6326	0	0	0	0	0	46970	0	4269	0	0	10283	Phytochemical	0.75	1.15	0.05
20	C24 H23 O12 N1	518.1293	518.13	0.05408387	518.12933	23190	28146	24107	21541	27251	22369	5135	8527	38567	84192	28799	4611	70458	10389	6753	18369	5277	49816	41362	61924	71365	79906	11557	9085	6035	22069	5757	15383	17024	4406	7844	7663	9332	5295	110636	4284	14823	6636	3518	46464	33072	12077	1144	0	0	79047	79592	0	14704	4892	28364	30353	23606	0	44883	32746	11319	10666	10570	3535	16509	37799	61800	34512	14755	37825	15353	5445	20063	34643	31116	6332	4541	2006	5258	6477	0	5363	17868	56114	12952	52549	6049	23270	45958	21526	22255	13021	15965	5260	12007	22493	19560	63447	100427	0	31073	24792	27345	35059	34988	6882	3876	7442	56113	7815	29096	0	6636	56692	Phytochemical	0.5	0.9583333	0.041666668
22	C24 H23 O12 N1	518.1293	518.13007	0.13330595	518.1294	12027	14742	13191	13297	23336	15053	2725	3104	25294	52420	18033	3355	34473	7767	4630	4596	2709	27992	18693	39611	37195	47132	8864	6706	5441	15049	2868	8039	2626	1303	3233	0	3868	1849	52032	1304	7922	4091	0	26364	22141	4791	0	0	0	47608	50188	0	2778	1551	17548	14334	13205	0	31645	18228	7101	5230	8458	3073	7484	17495	39427	22185	8104	19736	8655	1709	16539	16117	13256	2215	0	1155	2144	2160	0	2878	9710	24861	12213	38519	3920	16411	29176	16823	8208	5039	8653	4422	5523	11362	7007	36920	61360	0	14627	14104	12650	20661	15857	4068	0	5137	36811	5436	20799	0	5060	36423	Phytochemical	0.5	0.9583333	0.041666668
16	C24 H23 O12 N1	518.1293	518.13007	0.07965832	518.12933	33179	35820	26696	35844	35222	22233	8190	7851	40051	142021	52091	8131	73753	19203	12308	13160	9389	45950	55914	89357	95751	102777	19706	17055	14649	24928	7572	24584	6681	7731	8047	6282	18275	5888	163117	4488	13672	10180	8273	74088	54541	11463	667	0	0	71123	89098	395	8444	6624	33564	34837	23765	0	47353	38099	13637	12516	10217	10794	12984	50032	76985	37287	10173	43079	17947	8237	38795	42738	46068	5701	6265	5064	8259	4833	0	7721	22022	68038	16936	56497	7963	32377	45894	22763	15326	12536	15820	0	18786	27986	0	90061	115942	0	33284	37710	36031	34701	35550	16595	7196	17415	74536	15887	31968	0	11529	64583	Phytochemical	0.5	0.9583333	0.041666668
18	C24 H23 O12 N1	518.1293	518.13007	0.11948527	518.12933	43986	36662	36024	36615	31129	27138	8106	12282	41055	131310	57148	9825	88820	21582	10889	8967	7695	65013	52105	89857	93965	108045	17936	15978	10782	32292	4430	25573	9354	5434	6917	4489	12950	0	168491	6966	15668	13908	6874	63112	50448	14368	1610	0	0	90504	93047	0	11597	8191	41455	41507	27217	0	62087	45481	18649	14284	12860	6944	11443	59383	80303	52183	10816	50789	21580	7775	35863	46486	36597	6655	4767	6201	2830	6922	260	7239	23852	69900	13230	75396	10327	33853	47146	26161	18388	21026	17593	12211	24079	33629	25183	97721	137023	425	38327	41953	38831	31552	42423	12698	7084	14441	68912	13130	33965	0	12815	72033	Phytochemical	0.5	0.9583333	0.041666668
26	C24 H23 O12 N1	518.1293	518.13	0.1746145	518.1294	3673	6444	6292	4190	7109	3538	0	0	8496	23971	4353	0	16211	0	0	0	0	8683	9851	12569	12194	16252	0	0	0	0	0	2059	0	0	0	0	0	0	23405	0	0	0	0	8463	5960	0	0	0	0	11754	20816	0	0	0	5619	4565	4005	0	11716	0	2750	1953	0	0	0	5123	15286	7942	0	6371	0	0	7719	8735	9008	0	0	0	0	0	0	0	2740	8272	2472	11654	0	3078	9027	0	2709	0	3405	0	1601	3260	0	16355	19359	0	5336	0	5804	5704	0	0	0	0	9657	0	5907	0	0	14076	Phytochemical	0.5	0.9583333	0.041666668
24	C24 H23 O12 N1	518.1293	518.13	0.1721058	518.1294	4979	7343	7139	7172	11989	7959	0	1820	10773	29703	8768	1401	23833	5337	2259	3814	0	14328	14876	17650	19777	28117	3182	2158	1576	5824	1491	4094	0	0	0	0	3505	1221	33228	0	3774	3324	1469	11366	11735	2653	0	0	0	19230	29285	0	1074	0	6055	10021	7312	0	16501	12038	3031	2123	0	0	1360	9293	19718	13238	4514	12961	4718	0	7302	10830	10764	0	0	0	0	0	0	2456	5995	20296	5116	17700	1423	7087	15814	7872	5236	1337	3534	2328	0	3279	4357	24009	36178	0	6761	7178	6460	9608	6487	2574	0	2088	19271	1214	12060	0	4342	20969	Phytochemical	0.5	0.9583333	0.041666668
12	C21 H27 O14 N1	518.15045	518.15125	0.082128644	518.15045	29377	33684	31862	24289	43049	30624	16064	47587	65069	28360	31472	27646	88938	16930	34701	28844	38572	77145	77085	58200	78677	71307	50984	34410	9374	7568	14338	9468	34602	26657	22512	19085	35595	19746	64806	27053	23078	31587	27651	35916	45479	32440	888	0	0	132832	262754	0	21627	32971	31667	32721	34751	0	98056	58103	24535	22526	21924	32802	26713	44394	92420	58927	25152	53887	35231	26848	23760	13736	22492	24919	22342	28258	24024	18548	0	28473	33605	58217	31226	89883	15501	13712	63850	32325	24377	25098	26027	27004	6973	15231	36981	81112	56656	0	36099	53696	60663	40105	56487	41137	23586	27180	185902	26788	60102	0	15651	70932	Phytochemical	0.6666667	1.2857143	0.04761905
10	C21 H27 O14 N1	518.15045	518.1513	0.1470135	518.1505	18677	20230	16082	17133	21075	13614	9153	16754	24253	20431	17227	18035	45649	8776	15797	21116	20834	38313	40599	25752	36981	32637	23842	19157	5226	3725	9203	3479	13940	16350	10392	12319	17903	10393	27938	13832	14203	14891	16347	15386	25073	18628	630	0	0	46381	105806	0	12335	18238	18035	22438	15464	0	36438	27211	12275	13178	8978	20911	16047	17461	37013	28275	11338	25202	16600	16677	10546	5471	11928	11337	11817	14343	14426	11388	0	9358	14781	24729	16625	32342	7016	7779	38377	17510	14076	15433	15852	14402	0	8430	22057	28929	36601	0	19532	30324	23780	24386	34644	22089	13179	15192	74704	15435	30898	0	6104	38060	Phytochemical	0.6666667	1.2857143	0.04761905
14	C21 H27 O14 N1	518.15045	518.15125	0.08950256	518.15045	61436	49895	58060	58081	64610	56117	22276	62257	103093	54467	44806	35823	165896	23781	67080	46256	42902	129211	113986	78500	120551	119835	81961	56112	19904	11275	20161	18212	44155	46681	29133	35167	46188	33093	88924	43344	43467	49296	28037	51191	62318	48209	0	0	0	217103	429432	0	34759	48134	52900	52977	53979	0	165931	71336	37991	37783	57825	26370	59968	74242	123556	96656	39137	79635	49661	27885	41412	19650	34646	36560	32102	40415	37248	29906	0	36966	46468	90458	38463	179743	15797	23700	90389	51597	34246	41886	40175	24294	15409	35221	68206	98975	92956	463	60600	90167	80000	56123	66314	66825	36220	46822	425620	32045	84269	0	16945	113348	Phytochemical	0.6666667	1.2857143	0.04761905
28	C21 H27 O14 N1	518.15045	518.1512	0.07354382	518.15045	4415	4336	5669	3086	3131	5935	0	3249	5105	8764	3520	1795	4185	0	2518	0	0	7390	5286	14051	17629	7415	2646	3310	0	0	1258	0	4084	0	2215	1404	2694	1481	9899	2869	2268	0	1139	9855	8147	0	0	0	0	38757	54866	0	2784	0	5234	4245	3430	0	4320	3052	0	1902	3025	1791	0	10066	3329	2936	1345	2169	2233	2257	3423	6996	6009	2302	2022	3390	2741	2466	0	2029	1185	7448	0	28400	0	3716	3285	1720	0	1591	2099	1332	1479	2006	2444	6056	5972	0	3978	7946	4161	1180	0	2729	1609	2586	46650	2743	2792	0	0	3592	Phytochemical	0.6666667	1.2857143	0.04761905
26	C21 H27 O14 N1	518.15045	518.1512	0.074346915	518.15045	9270	8024	7464	6190	6910	10902	3006	0	10500	31350	6244	0	7866	0	0	0	0	12742	0	27974	32002	14394	0	0	0	0	0	0	0	0	5296	0	0	0	21980	0	0	0	0	18064	34805	0	0	0	0	86654	126434	0	0	0	9268	6564	5280	0	0	0	0	0	5202	0	0	22588	7462	0	0	0	0	0	0	20728	23546	0	0	0	0	0	0	0	0	0	0	62612	0	0	0	0	0	0	0	3364	0	5982	0	18431	0	0	9546	12676	11030	0	0	0	0	0	85598	4848	0	0	0	16414	Phytochemical	0.6666667	1.2857143	0.04761905
10	C25 H27 O11 N1	518.1657	518.16656	0.13331673	518.1658	15024	14279	14028	11274	10807	6113	4887	7290	12054	50534	21990	5847	16571	6289	6643	7763	6301	11461	12474	33228	40676	32839	7319	8356	5464	14702	3704	12537	7035	6095	4326	7010	9882	3807	69824	6484	6532	5838	6192	28591	26039	4828	0	0	0	22141	34927	0	7841	8585	15088	13476	6133	0	13590	9713	4241	11781	3218	9910	0	16851	15983	11204	4519	10565	6577	7231	20309	23094	29009	6509	7106	5441	2788	4482	0	5328	8952	13236	7343	18395	5848	14060	12273	6213	9868	3868	6806	12838	11320	12380	16192	21459	30858	0	13527	13978	8632	10035	11898	6215	5385	10226	19349	8113	7418	0	6837	13524	Phytochemical	0.44	1.08	0.04
24	C25 H27 O11 N1	518.1657	518.1664	0.06389106	518.1657	10350	10894	12766	12302	17315	8085	0	4225	12143	50259	14693	3198	25884	7513	4619	4439	1860	19322	17157	28329	26891	30199	8394	5744	4581	17334	1196	12239	3962	0	2699	2413	4886	1761	44687	2148	5153	5102	1631	20633	19421	3045	0	0	0	33400	31747	0	2526	2453	14207	11267	12929	0	20948	12979	5599	4036	2800	2301	3871	17880	27127	12609	3264	14547	6039	1426	19859	33234	28188	3158	2596	1647	1974	2081	0	3689	9968	14055	7271	22046	3523	13241	21208	7318	10756	5058	1837	3016	5986	8020	5872	17829	34350	0	12180	15752	9086	8966	14011	2540	2190	7693	20163	3511	10510	0	3297	34873	Phytochemical	0.44	1.08	0.04
22	C25 H27 O11 N1	518.1657	518.1664	0.10832987	518.1658	32460	27903	26474	27871	36193	24406	3921	12849	30588	96950	37270	5690	42546	20376	10786	10803	3131	45499	36922	69677	75647	58808	12371	12667	10755	54614	3012	23408	10673	6420	7894	9750	11382	5834	103558	4970	12555	8364	4133	47954	32395	13609	0	0	0	70452	68085	0	10204	7591	28872	26093	19102	371	39385	24697	11473	12495	13772	6381	12205	37494	46618	32819	14131	29431	15867	3349	37164	65748	53284	8383	3951	4420	3940	7200	0	5698	17464	29336	13368	42287	8893	33309	36490	20250	12785	13004	13276	5704	14890	22956	21471	35076	75612	0	22390	31805	27737	21782	29604	10936	3839	14974	44900	12413	31029	0	10364	51939	Phytochemical	0.44	1.08	0.04
12	C25 H27 O11 N1	518.1657	518.16656	0.11248409	518.1658	25235	25727	18757	20555	17343	11484	8329	16119	19525	83105	45861	9998	24633	9814	10501	16591	16555	20964	28644	70192	72878	57507	13541	21424	11448	32112	11866	32214	16775	13454	17192	11476	16594	12801	129097	12555	14558	11014	16307	54461	59663	11243	0	0	0	44239	51377	0	16287	15959	28611	25546	14991	0	27076	16139	10048	16117	11531	9043	0	37754	35636	18376	6409	21550	9023	12062	25353	56533	55311	12721	10943	9860	9284	10031	0	12290	18739	22871	14167	25065	13579	30056	20027	10758	14497	9911	10231	23689	18828	26364	20674	33998	46332	0	30780	26773	21020	18706	15384	15270	6504	16611	45192	14602	13348	0	11260	27494	Phytochemical	0.44	1.08	0.04
26	C25 H27 O11 N1	518.1657	518.1664	0.057062913	518.1657	6261	7494	6148	5940	9068	5857	0	0	8754	25469	6355	0	14342	2427	0	0	0	11615	11177	14711	17584	7659	0	0	0	9750	0	4810	0	0	0	0	0	0	24006	0	4274	0	0	14440	10291	0	0	0	0	12883	19599	0	0	0	7614	6703	6618	0	9623	0	0	3174	4098	0	0	6900	12727	5356	0	8580	2596	0	9023	19307	19385	0	0	0	0	0	0	0	3964	6248	2876	10855	0	6972	9213	7907	3780	0	0	1407	2587	2590	4281	12722	21208	0	6904	5196	4097	5230	5901	0	0	0	6360	0	0	0	0	16759	Phytochemical	0.44	1.08	0.04
6	C24 H27 O10 N3	518.17694	518.17786	0.1050234	518.177	8898	9416	9994	9231	5126	4147	3357	9457	7409	10264	8083	5495	8250	1769	6637	11092	8112	6406	10897	10758	13908	13413	7564	12276	4558	2348	5012	4892	7484	8029	7588	8997	8513	5757	16411	6146	8447	4565	12003	11748	16219	3657	0	0	0	9264	15974	0	8768	8689	8407	8770	4692	0	8722	5772	3534	10268	3998	8809	8058	8707	9751	10194	2848	6875	6142	14051	4255	7775	8349	7042	6949	6300	5637	6673	0	6514	8858	5133	5750	7302	5034	4180	6716	3734	9486	5003	4709	20106	7426	9861	18411	9845	12721	0	8701	8990	4028	6689	9216	7909	4181	9038	0	10572	6076	0	6307	9652	Phytochemical	0.41666666	1.125	0.125
10	C22 H31 O13 N1	518.1868	518.1877	0.102563314	518.1869	20498	18827	22707	17245	10294	9854	15474	28464	18425	20203	16305	15659	24694	5913	23479	23401	22071	21548	21820	32479	33367	24554	21920	29063	12033	8569	13893	8058	25736	22472	22446	23812	24919	17113	38278	30221	20551	15726	15722	17834	23506	14124	476	0	0	45310	55397	0	15837	25004	20368	20798	12290	0	27264	13254	9978	18056	18636	13914	27944	20300	21419	14226	8826	19037	11151	18177	17752	10626	13450	19887	21648	27731	21930	18999	0	14773	17143	19844	18683	24775	14638	9229	22672	12843	14569	10544	9623	17398	8871	14249	38922	18199	22048	0	21627	35176	14199	12137	15328	24325	15555	27873	33035	18377	17704	0	11133	19419	Lipid	0.59090906	1.4090909	0.045454547
12	C22 H31 O13 N1	518.1868	518.1876	0.08370884	518.1869	41851	39190	41261	35115	32118	28493	35075	69103	44175	61707	31241	32326	56996	12448	57196	42374	56191	55113	67523	86285	76498	57385	60936	55492	37313	24916	20413	22354	61262	46600	39484	31993	47286	34525	70791	48968	41984	46247	34324	60009	53779	30413	839	0	0	122054	133461	0	31102	54937	32643	35833	29449	0	71490	36386	24822	44545	64934	35683	33440	54872	50977	42464	19568	38222	30376	36509	48566	32561	25331	39941	40163	53142	30982	34000	0	40196	38751	39507	40346	73292	31971	25716	48060	29044	33504	19582	27995	39328	14624	33746	56223	51108	43530	0	36676	66313	41073	27456	31987	48563	34079	63738	128003	36974	40471	0	30402	53290	Lipid	0.59090906	1.4090909	0.045454547
14	C22 H31 O13 N1	518.1868	518.1876	0.040235635	518.1868	88242	80651	83253	91268	69662	60696	62629	139810	91716	131496	70013	57955	137366	33670	116377	89392	68977	138578	124919	168867	192104	124035	119306	114195	76479	45035	48134	44627	111020	108542	80688	99630	95740	74818	170199	105458	73946	83212	45410	100142	72977	70436	0	0	0	282281	255021	0	68231	106732	86004	87207	67351	0	163301	73008	43200	84708	145335	46577	112817	99637	105734	95161	46181	75594	68737	40656	62987	71950	54195	82681	74397	120649	56987	77660	0	79136	69173	100346	69271	169350	61946	53364	88912	78721	63772	54231	53629	31054	41225	76607	122822	87620	126723	414	83367	117139	73903	50079	62975	119085	62636	121698	281929	71158	88621	0	46280	101398	Lipid	0.59090906	1.4090909	0.045454547
18	C22 H31 O13 N1	518.1868	518.1875	0.036513537	518.1868	114696	101796	95555	94093	78519	84662	43617	126969	116453	176633	58609	48576	201924	41149	127960	78589	37152	172896	171730	209770	172398	138276	112890	113063	95629	46722	35738	41691	127147	96635	92008	91002	98790	86067	190927	101755	106423	80634	30959	144776	46396	66411	3088	368	0	342208	210776	0	89525	109069	90926	91794	83218	0	250435	77060	43434	84822	123007	31202	106211	109154	143845	106204	37738	84311	69173	30143	48619	90227	46834	97679	84215	110660	51924	78204	0	86050	60170	74720	66035	209703	54131	68878	95260	69129	53325	40288	65052	24133	59123	97212	125227	77224	134671	706	103343	118644	78955	42653	56788	96931	67274	94610	229678	74074	76389	0	48440	137783	Lipid	0.59090906	1.4090909	0.045454547
26	C26 H31 O10 N1	518.2021	518.2027	0.041119535	518.2021	10562	6482	9686	7776	13143	7130	2505	0	12847	30237	13219	0	21474	4102	0	5157	0	21011	16318	17550	28556	11701	6352	9063	0	26266	2619	7672	0	0	4913	0	5919	4603	28526	0	8856	4662	3433	17049	17792	0	0	0	0	18118	13331	0	7701	0	11323	10200	7924	0	11543	9587	0	7768	4405	0	7560	10264	13392	9343	0	14570	9998	4676	33959	39214	36252	5758	4346	0	0	3895	0	3199	7603	7639	5526	7228	3022	10993	12293	0	5806	4940	5309	4088	4393	8943	7261	7878	16643	0	9484	9397	6626	7656	8109	0	0	6122	8850	4740	7847	0	3511	20618	Phytochemical	0.3846154	1.1923077	0.038461536
22	C26 H31 O10 N1	518.2021	518.20276	0.055340406	518.2021	57746	61408	52759	59440	54249	42116	14270	32526	59689	179295	80955	18519	77280	39772	33591	42855	18122	90131	76590	151266	149431	69796	40786	48294	37484	132981	16890	73071	41939	23716	31451	35347	43403	39818	178045	31035	57385	24870	23672	109928	67147	40210	2442	0	0	96923	75542	0	38719	38796	61935	52797	40056	415	72532	56827	24334	43583	33717	18411	49088	64492	76041	51597	27651	59060	45321	20775	103756	179079	146034	42002	26462	28110	20539	29588	382	31048	50436	39550	33134	48744	29815	68321	62459	36090	42569	28189	31642	22121	52907	64668	65790	49969	94726	0	49565	56183	48053	39963	44414	41009	21334	48669	59097	40270	44684	0	29499	83618	Phytochemical	0.3846154	1.1923077	0.038461536
8	C26 H31 O10 N1	518.2021	518.203	0.1445158	518.20215	6974	8438	5800	7072	6677	3700	3055	5664	4948	20715	9507	3686	7666	1866	3895	8130	4978	3920	7765	18663	24600	16878	3494	7255	3615	8391	3185	6572	5665	4993	6083	5420	6243	3788	27998	5801	5707	2856	5142	15748	13488	2823	0	0	0	7454	11494	0	5498	3961	6577	6490	3795	0	7113	4521	1437	7558	1223	3271	4634	7732	7711	4641	1973	7359	3762	6068	10580	12422	14968	4067	5270	3429	2820	4753	0	4297	5911	4956	3994	4748	3474	8089	3277	0	6729	2347	3135	7926	0	0	7977	10324	14566	0	7889	6300	3252	3360	3835	5704	2527	8714	7393	4003	3865	0	5395	5032	Phytochemical	0.3846154	1.1923077	0.038461536
28	C26 H31 O10 N1	518.2021	518.2027	0.07042559	518.2021	5154	2640	6008	5025	4742	2934	0	0	5119	17812	4053	1657	11052	2222	0	3798	2729	7535	6641	10685	11123	6848	0	4706	2270	13117	1710	5560	0	0	1745	2173	3140	2974	16638	0	3741	2451	1961	5098	6145	0	0	0	0	4945	3981	0	2034	0	5764	2923	4139	0	5447	2986	1875	2951	1775	1138	4747	3791	5852	3980	1704	6568	3414	1913	11866	20537	16820	3694	0	0	0	1239	0	1420	3837	2937	2897	2624	2386	4227	4879	2174	3474	1556	2246	1645	5151	4462	6945	3168	8362	0	3321	5159	2620	3354	3697	0	0	0	3010	2466	3695	0	1778	6750	Phytochemical	0.3846154	1.1923077	0.038461536
10	C26 H31 O10 N1	518.2021	518.20294	0.10558001	518.20215	13130	11840	12155	8982	8036	6761	7284	11346	8560	47713	18965	5780	12411	3299	7143	11991	8906	7560	12851	34029	41023	24515	9087	13876	8576	21673	7181	15455	9363	9493	10316	8249	11162	7612	56217	11425	8324	6095	10797	27873	23620	5304	0	0	0	18506	16655	0	10019	9130	13787	12293	7636	0	11220	7655	5263	12397	7387	4864	0	15740	12948	8616	3097	9167	8000	11771	14753	34960	26107	11904	11023	7939	5017	8974	0	8199	9047	15177	7645	11479	9015	16918	6842	4975	9864	5472	5451	20135	12965	13465	21662	16288	22419	0	15181	13644	6693	5927	6248	10202	6210	16365	0	10048	4601	0	7316	10962	Phytochemical	0.3846154	1.1923077	0.038461536
24	C26 H31 O10 N1	518.2021	518.20276	0.05013816	518.2021	26944	24743	25735	20101	26194	17148	5489	16330	29042	77676	33441	8530	48610	12644	11487	16118	6866	32705	36340	47864	56781	28404	13690	18267	8695	52492	6633	24922	10454	9912	11720	11587	11112	13023	79959	10297	17561	11827	7530	42641	32150	10211	0	0	0	48635	34295	0	13322	6556	27191	26560	20246	0	29055	21721	10510	14603	11958	6976	15023	29153	45860	22206	11872	27189	13895	6543	50590	81164	80610	14330	11744	5448	7642	8755	0	11001	13805	17838	15750	23432	7664	27229	30461	12404	15005	9997	10353	8807	16134	19587	28688	19047	40162	0	26777	22103	19876	19050	25342	15177	8212	17278	23086	14977	22695	0	10222	32261	Phytochemical	0.3846154	1.1923077	0.038461536
12	C25 H31 O9 N3	518.2133	518.21405	0.07148068	518.2133	36428	38406	33346	36681	18405	14896	39559	0	14773	31392	13170	26003	26619	9914	33655	42798	56773	0	28852	35281	31475	62006	38245	51567	45360	9288	25277	11463	42754	29782	43089	39642	0	35799	55567	0	0	36915	57547	38707	32745	16723	0	0	0	50366	33275	0	46002	37236	32639	34286	20194	0	24273	0	18116	48115	42113	36205	51621	28631	17658	0	11767	22818	22456	68432	0	20069	15138	33596	0	32624	31181	0	0	28271	39447	27223	34654	0	0	23633	18594	15056	41483	17404	22698	82501	46749	55407	89087	25737	30001	0	42890	46462	14011	23133	28787	41852	0	49574	30242	49512	0	0	47241	27370	Phytochemical	0.36	1.24	0.12
8	C25 H31 O9 N3	518.2133	518.21423	0.089879185	518.2134	20789	18243	17476	22641	7997	9495	14383	22367	8726	21826	7915	13907	10572	4172	17856	21002	20497	9883	15962	25099	19568	35356	16629	37096	18133	5336	13384	8321	20139	16737	18077	23582	22331	20973	25964	17138	24919	16868	24206	25853	22756	10293	0	0	0	26516	24398	0	24946	13380	20902	21426	9881	0	14612	14516	7912	25680	13244	16477	20522	12807	8719	12690	5986	11099	10782	26026	4237	9238	9659	25758	18012	12645	15086	17311	0	12356	20541	10153	13968	12632	14779	14464	8150	7595	22996	10634	12098	35886	34052	34964	49440	15921	24515	0	21518	20992	8618	15662	13453	23545	9781	30802	7412	23099	8203	0	15169	12984	Phytochemical	0.36	1.24	0.12
6	C25 H31 O9 N3	518.2133	518.21423	0.084927306	518.2134	9041	11079	11765	9156	3201	4774	5230	10623	5279	10096	3766	6012	4981	2006	8117	13417	9358	5056	7987	10583	13092	19134	9495	23858	9580	2331	5099	3308	10202	9386	9800	7957	11729	9536	12433	8851	9443	7249	13484	7818	12991	5212	0	0	0	13032	13907	0	11391	9195	9126	10536	4402	0	7886	6062	3259	19579	5340	10577	21615	7139	6729	5390	4125	6799	7629	14500	4531	6330	7992	11100	9086	7359	6167	8156	0	6188	11486	4528	8635	7302	6880	6813	2805	3602	12148	7313	6580	40825	13084	15856	35041	9661	18633	0	12613	8952	3880	5063	5494	11031	7294	10509	0	17166	2833	0	13066	5743	Phytochemical	0.36	1.24	0.12
12	C23 H35 O12 N1	518.2232	518.224	0.07783063	518.22327	9008	14723	10923	10135	6832	8754	19100	34845	17797	14669	8001	12824	17776	4829	23938	22634	21949	14807	21266	21579	25101	13821	21642	18744	22063	10964	9719	9256	31841	22598	22853	16791	29232	14954	23880	23208	17707	21736	12688	14190	17551	13674	0	0	0	27862	15470	0	16408	22370	11665	10810	9983	0	28415	10433	8801	15783	24837	15097	0	11668	15064	12628	8419	11037	12244	17016	0	10690	10713	17737	19242	27635	12787	16882	0	16971	20506	15396	18928	15937	17745	10607	15143	14249	15229	7223	10925	15070	9385	12174	30118	9371	8206	0	12660	25011	10121	7939	13394	20816	16155	30600	0	15672	12478	0	17216	13270	Lipid	0.5217391	1.5217391	0.04347826
14	C23 H35 O12 N1	518.2232	518.224	-6.03021E-4	518.2232	41544	38674	38499	44731	22421	25577	33344	80038	42627	46921	24885	33241	49020	14225	64590	61802	41950	50492	48354	76937	56406	39270	58513	67813	58635	21149	28909	22024	68972	62924	41951	39039	49342	36344	62241	64946	46739	45263	33863	37760	26943	31869	0	0	0	65290	36492	0	53364	60507	38176	31818	22933	0	57381	30285	21220	48958	68688	20375	64966	32546	29961	38988	16527	27901	28086	25231	18047	31777	23373	47878	39908	74876	36893	47129	0	36736	40134	26309	41873	34250	34372	24288	33584	32523	36610	22823	28366	29318	32610	39587	75918	28976	27262	0	31037	55295	30523	28193	28918	56573	35484	58087	39991	41874	31936	0	30431	33739	Lipid	0.5217391	1.5217391	0.04347826
26	C27 H35 O9 N1	518.23846	518.23914	0.020683262	518.23846	16189	17659	18199	19181	28122	12913	4270	13210	20592	34912	26344	7789	33279	10551	13059	14182	8891	20834	23595	43528	47379	19929	12198	22547	10698	58133	5859	20564	11647	12419	9853	10040	13928	11032	42540	8988	20029	9066	8326	28705	29645	9724	0	0	0	18647	20493	0	12223	9451	18893	19546	14395	0	22075	15885	9371	14324	11485	5592	18299	16092	22555	17309	7895	21668	6146	9400	61260	69159	80499	16190	11126	0	7143	10935	0	5737	15629	9283	11127	10032	7586	20194	27271	8738	15821	12418	9510	12702	13963	14881	20656	9761	15837	0	15658	20689	10061	18290	20084	13098	7776	10820	12540	16850	11248	0	11953	23963	Phytochemical	0.33333334	1.2962962	0.037037037
16	C27 H35 O9 N1	518.23846	518.2392	0.006258794	518.23846	35357	40423	35881	38606	19296	18250	29047	44223	23381	63911	32144	26695	18327	15410	26047	55550	37503	27176	34394	78164	76761	38408	27442	52998	32322	65557	21462	33440	38869	36174	32258	39376	43656	26909	60693	33478	39098	30423	45489	53789	50506	24019	546	0	0	39132	31372	0	43064	37387	39577	48104	18308	0	25337	15711	15511	39544	22851	28821	47268	32444	20128	17723	13508	22868	25683	43246	57456	68023	72930	34321	36916	39107	42471	41413	0	26413	40950	26033	32072	18934	28229	37371	20154	14748	33609	23543	24085	60085	48400	43035	65498	28011	45928	0	39505	45136	17051	14015	16909	43946	22569	46116	17520	42855	18907	0	37164	19588	Phytochemical	0.33333334	1.2962962	0.037037037
20	C27 H35 O9 N1	518.23846	518.23914	0.037713896	518.23846	882281	890184	880072	924670	758983	568357	531651	852963	817854	1345775	943111	554722	985113	533595	732093	921168	663767	720914	949290	1585477	1378826	773772	692673	910600	689255	1824539	481435	829183	792065	758999	617146	723289	940100	698572	1455980	729234	879876	647057	636817	1006922	880394	501604	13408	0	28116	734553	655989	8748	761939	706556	890879	905356	736787	76581	850960	834560	481735	813867	691439	475121	861051	647870	819761	792631	390119	801620	526764	710443	1420682	2126453	2203921	647110	659396	690102	722225	674467	0	603966	945150	450991	874518	461800	631559	798289	1760913	561483	884250	525022	539416	762174	816851	826109	1051194	511431	670552	16887	909017	814061	684734	801002	826566	826555	568878	946745	476432	692338	729317	0	645425	934517	Phytochemical	0.33333334	1.2962962	0.037037037
14	C27 H35 O9 N1	518.23846	518.23926	0.05398774	518.23846	21198	21632	16692	16564	10886	11071	15325	22951	9741	37437	23589	11248	10763	6497	13064	30416	21228	12449	12447	45370	42767	27067	14338	26394	13086	32445	12060	22130	18421	15844	15195	21537	18545	9141	56163	18039	20705	14372	26193	30661	29595	10324	0	535	0	17140	14283	348	19029	18058	22539	19167	10093	429	14323	5457	8097	27090	20754	12633	22626	12859	8032	10304	5524	8781	16549	20711	17777	35211	32156	16274	13741	16954	16042	16689	0	13081	19375	0	15986	10126	12807	16029	9177	8110	20724	9539	11435	43992	26345	22929	32382	17332	28120	0	21278	25643	7047	9214	8092	24961	10183	21662	0	14544	6072	0	16956	6446	Phytochemical	0.33333334	1.2962962	0.037037037
18	C27 H35 O9 N1	518.23846	518.23914	-0.011478012	518.23846	68147	73339	70427	68504	46812	46251	48843	83516	43499	109631	67064	49382	63577	29080	51175	88126	67851	52297	73599	139138	141962	74062	56398	94151	58523	148195	41422	69692	88510	66189	66887	68755	85693	74332	109601	86955	81775	49054	70021	107894	86242	46587	984	0	0	67780	57181	0	67421	66475	74647	73279	42425	685	69978	43558	28407	72530	54800	46924	74329	58911	49214	44228	29184	53365	41967	73329	110645	129909	156681	66156	57659	68152	65835	64906	0	50398	71594	48852	50328	47897	56612	61749	63201	41573	78179	45921	46159	88340	87586	97556	128147	48234	94073	0	73216	63773	42787	43950	44323	91440	42891	89442	41266	75478	44514	0	63799	56042	Phytochemical	0.33333334	1.2962962	0.037037037
12	C27 H35 O9 N1	518.23846	518.23926	0.10580076	518.2385	15284	12516	12361	10059	4806	7387	9872	15388	3682	22277	16475	4818	4202	2889	11093	13043	7676	5451	11037	32565	33278	18704	10773	11443	8466	19592	6153	13971	12886	9055	7594	13396	17523	8532	39071	12107	12576	7525	11962	26682	16097	8723	0	0	0	13825	10610	0	14108	9645	12657	10832	5740	0	6518	4907	5262	11961	0	7309	17641	14096	7200	7312	3434	5519	7869	9800	0	29312	24987	9033	9941	11365	10673	10181	0	6755	9651	0	6650	6480	5336	12367	3940	3236	11012	5785	5086	20055	12191	13177	22871	15763	19956	0	12554	12255	5617	2983	2762	8093	3725	12968	0	12806	3731	0	11162	9163	Phytochemical	0.33333334	1.2962962	0.037037037
24	C27 H35 O9 N1	518.23846	518.23914	0.048429437	518.23846	56470	51771	50611	52442	60163	40444	17581	42912	45877	122921	78216	24809	76460	33242	35572	44311	21906	62514	71158	146438	134033	46641	42338	52859	31613	146460	14667	70323	39484	33064	33776	43410	46305	42099	132783	40421	58596	29243	27031	89746	56809	31302	2028	0	0	66500	49921	0	43651	30132	57077	50539	42408	0	61119	50614	28202	42153	34417	21026	50595	59702	62729	51627	22772	58083	38612	19827	128420	199791	170278	43878	37626	33390	21836	29410	0	27566	49941	24659	34330	33973	25499	57590	62911	34383	42818	32919	32689	30166	43745	59315	72681	35354	60514	0	54329	56354	35418	46148	52688	45315	22498	51063	42851	48110	41741	0	30530	66750	Phytochemical	0.33333334	1.2962962	0.037037037
6	C21 H35 O10 N5	518.24567	518.24664	0.23132032	518.2458	5992	5163	4473	5652	0	5964	479	0	0	4212	14035	0	660	0	0	1122	0	0	0	0	0	1810	745	0	534	0	0	88988	0	0	0	0	0	0	0	0	0	596	0	0	0	0	0	0	0	0	0	0	0	0	5940	5779	0	0	0	0	368	941	0	0	0	0	0	0	0	1009	0	0	0	0	0	0	857	0	0	1042	0	811	526	254700	0	0	0	0	0	0	0	0	639	0	430214	134166	1399	47465	16177	0	5550	4328	0	0	1227	0	550	0	0	687	0	0	0	0	Peptide	0.47619048	1.6666666	0.23809524
8	C21 H35 O10 N5	518.24567	518.24634	0.12367886	518.2457	1702	2928	1343	2089	0	1059	0	0	0	1769	5526	0	0	0	613	1152	0	0	0	0	0	0	0	0	0	0	0	43792	0	699	0	0	0	836	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2181	2864	0	0	0	0	0	1217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	747	0	0	0	126929	0	0	0	0	0	0	0	0	0	0	209093	67189	0	25336	6312	0	2084	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47619048	1.6666666	0.23809524
2	C21 H35 O10 N5	518.24567	518.2467	0.5292453	518.246	0	779	1272	928	301	0	789	572	0	0	2451	514	531	0	412	0	872	545	469	0	0	0	0	0	311	0	0	16541	0	0	0	0	875	469	0	0	959	0	901	0	0	0	0	0	0	0	0	0	0	497	1784	1056	0	0	311	0	0	0	0	0	0	0	0	373	0	885	0	0	0	0	0	948	0	639	0	0	0	424	530	91747	400	0	0	0	253	0	693	571	485	0	19004	9786	1109	8842	262	0	0	0	0	0	0	0	409	202	0	838	0	0	421	508	Peptide	0.47619048	1.6666666	0.23809524
10	C21 H35 O10 N5	518.24567	518.24664	0.3266848	518.24585	10031	6976	10924	8371	4230	6222	4834	11623	3574	20917	10341	5165	2574	3526	4205	12975	5876	2678	6325	23088	25951	12711	5558	11811	8535	13919	6811	29828	8638	5768	5782	9939	17099	7529	27453	7050	9833	5452	6797	15054	7845	7650	0	0	0	9011	5825	0	11101	6859	15083	8264	4940	0	4322	2133	1834	11478	0	3015	9018	6868	2756	5260	2859	2557	5487	9361	12350	22050	13864	9053	5888	5362	5665	8734	0	6929	7076	85824	5829	3189	2111	9934	3194	2788	5848	4963	3654	9316	150510	29659	16230	21626	21289	0	9195	13833	2914	2700	1260	8926	3638	11243	0	7996	2070	0	6561	3903	Peptide	0.47619048	1.6666666	0.23809524
4	C21 H35 O10 N5	518.24567	518.2465	0.19274746	518.2458	2384	2502	1341	2710	375	5087	0	0	0	1993	4582	0	484	0	367	466	0	0	0	0	0	930	0	0	306	0	0	31349	0	0	469	0	0	0	0	0	755	0	0	0	0	632	0	0	0	0	0	0	0	0	2238	1930	409	0	383	0	0	0	0	0	681	0	0	0	0	0	0	0	0	0	0	0	0	434	0	0	0	0	437	185837	0	0	0	0	0	0	0	0	0	0	180447	61770	0	18527	8293	0	1648	2667	0	0	0	0	0	0	0	0	0	0	337	0	Peptide	0.47619048	1.6666666	0.23809524
10	C26 H35 O8 N3	518.2497	518.2507	0.2899855	518.2498	5742	4388	5989	4859	2276	2665	3923	7406	2857	5228	2434	2514	1330	1342	6400	4095	2935	1120	2922	7573	7260	14326	3922	11192	12210	0	3348	0	3390	5240	6775	6453	9121	4069	4593	6458	7677	4790	2332	6840	2137	3871	0	0	0	4225	3163	0	7992	3997	3635	3345	2358	0	2386	880	1567	5798	0	0	0	2761	0	0	0	1144	2210	4806	0	2750	1575	4897	2986	5080	2371	5166	0	4266	5540	10625	3404	2312	3729	5364	838	1791	5023	1532	3286	7119	14332	10434	20141	3251	6362	0	5083	2795	0	0	899	5162	4597	7887	0	8437	919	0	5880	2098	Lipid	0.30769232	1.3461539	0.115384616
8	C26 H35 O8 N3	518.2497	518.25073	0.28008	518.2498	5287	5693	4177	5220	1347	2138	5141	6208	1246	4718	1699	3296	0	0	7341	9584	1825	1992	2913	6287	3112	16411	6925	18292	11349	1003	2946	0	4559	4666	5253	6045	6388	3600	9463	6423	7101	5222	2887	9080	3509	2009	0	0	0	6914	1913	0	4871	4994	5756	3478	1754	0	1388	0	1987	10432	1812	0	9745	4040	0	1446	0	1662	2206	3425	0	2509	1677	5238	4965	3339	2657	4005	0	5453	6035	4459	5077	2825	3488	5169	0	0	5556	1587	2021	8686	0	10448	32107	7770	8768	0	3280	4234	1285	0	0	5776	3987	7311	0	11066	0	0	7977	0	Lipid	0.30769232	1.3461539	0.115384616
18	C24 H39 O11 N1	518.2596	518.2603	0.021635175	518.2596	27559	24857	27084	22239	11393	18340	23174	42511	26260	21840	7002	15021	37116	11105	47952	28997	10572	24897	40030	29154	19855	20485	35065	42234	42222	4788	23519	15955	60815	36228	37360	38189	40504	25681	25199	47146	41804	32331	15901	15235	4895	19556	749	0	0	17567	5672	0	30298	39639	28277	20838	19196	267	49310	24962	12083	34974	35339	6465	32719	13046	29054	27708	16918	27677	21729	12776	2107	14288	6386	27304	33270	45189	18024	29215	0	24485	27084	10625	24181	11455	30456	15260	28049	23702	25584	15045	14955	10335	26339	35839	52201	12495	12201	0	18942	28389	14769	19715	16186	43915	22578	31631	8891	27480	19376	0	26962	24650	Lipid	0.45833334	1.625	0.041666668
16	C24 H39 O11 N1	518.2596	518.2603	0.015064181	518.2596	20424	22084	31060	25242	11946	18012	32120	49820	24130	13864	10838	17840	29350	8262	47066	33246	34520	22650	41128	25176	25076	19148	34904	49516	37472	4992	27062	0	66186	49606	41438	38244	46172	32932	23174	62040	42796	41208	25714	12206	6630	22696	1264	0	508	18512	9976	0	57214	53080	24020	18584	15846	0	49774	26514	18318	40856	29854	10582	41508	8262	35986	33088	11188	20636	23408	19218	0	11852	5484	31954	29448	44104	34808	41390	0	32506	32040	7820	27384	9630	32434	13496	23544	19924	33226	15680	29944	0	32262	23646	0	5750	11212	0	21598	32758	15462	16186	28510	59604	26462	39022	13404	30372	22866	0	36098	30238	Lipid	0.45833334	1.625	0.041666668
20	C24 H39 O11 N1	518.2596	518.26025	-0.07145295	518.2595	35484	21819	36703	30812	17684	25006	28708	52382	39613	47387	11638	15405	52186	18935	62707	27537	12188	45109	57719	35167	25804	29224	34538	44211	56885	6621	18425	13117	51517	36600	43954	42359	51320	34267	58857	45840	60027	39712	9538	27952	3431	24252	934	0	0	28081	4580	0	43274	36973	35963	32396	28208	0	94292	29923	12846	33592	52981	6560	37574	14354	42212	45250	17997	35441	27215	5751	2538	18810	5628	35750	33077	48520	15115	31428	0	35917	21404	10822	25261	8818	36752	13794	21459	28667	22531	15447	24956	6055	39184	58875	74462	8688	16467	0	33855	45840	23320	20845	19000	40650	23328	34959	13110	33856	19223	0	20914	45647	Lipid	0.45833334	1.625	0.041666668
26	C28 H39 O8 N1	518.27484	518.2756	0.04136927	518.27484	40256	33599	34870	36925	50915	21271	10763	37596	43537	51803	42876	17668	48709	28709	27628	41234	21473	35751	62571	86543	71152	31691	26422	36130	33311	123753	9690	42016	30678	33745	31531	35302	37406	28972	70478	37743	0	19753	23392	58855	46717	19235	0	0	0	33547	31230	0	34564	28129	36728	36625	37838	0	47984	41247	18416	39282	29311	17166	49519	29949	38624	32306	13154	42539	29376	22432	117805	133691	140449	35080	26593	25461	13571	26404	0	20016	39335	18521	24053	18850	28460	42252	45163	20887	34153	21253	26277	23193	33261	46291	50159	21618	28401	0	33334	42771	25478	41259	47630	47900	16423	46867	18658	30060	35454	0	23903	39277	Lipid	0.2857143	1.3928572	0.035714287
24	C28 H39 O8 N1	518.27484	518.2753	0.030573523	518.27484	90290	88227	87952	89568	100623	70415	42159	84700	81062	236560	108357	45952	95722	0	63212	91868	61019	83647	125394	181382	157906	147954	0	94912	65901	257604	39290	103583	164738	77875	70870	70131	102526	78915	144718	89550	112206	55568	56467	122965	85378	50652	2707	0	0	98063	63998	0	86082	69692	89274	86113	82200	0	110880	86393	44067	89263	62359	45002	104971	73576	92341	74211	42175	85862	70007	55462	212913	278935	284337	80432	81040	64732	0	66110	0	53393	84744	49990	62625	48618	50430	79500	106248	57519	73860	57343	67809	68175	92451	96645	119610	54761	155264	0	86849	98231	65747	79911	91129	95461	0	102450	52184	82699	79662	0	107710	94813	Lipid	0.2857143	1.3928572	0.035714287
28	C28 H39 O8 N1	518.27484	518.2755	0.015976014	518.27484	4623	6010	5047	5008	9865	2541	3523	3734	7130	7812	9688	2041	7975	2829	2142	3882	3970	4315	6098	11961	13357	4255	5583	5770	4197	37901	3414	11193	4784	3734	3504	4357	5284	3112	14189	4475	5825	2818	7536	7861	9654	2549	0	0	0	4578	4117	0	4236	3135	7379	7749	5248	0	9550	7233	1554	6192	3708	2394	6655	4573	7423	6669	1754	8792	5203	3964	30086	30071	46931	3414	3202	3638	2431	5009	0	1761	8331	4266	3694	3180	3409	7755	12034	3847	8484	3536	3155	6324	5786	5689	5138	4099	4096	0	6994	5859	4763	12938	12653	4968	2563	7006	4159	4771	5442	0	2553	7751	Lipid	0.2857143	1.3928572	0.035714287
16	C28 H39 O8 N1	518.27484	518.27563	0.12832561	518.2749	15422	18376	15012	21446	9424	9576	9198	15158	5660	11814	19754	15766	5116	8570	16470	31868	16706	5940	5760	35546	20348	10522	9082	26678	15666	34944	15750	14890	24196	15066	21110	24492	29618	13726	16436	18864	16158	10386	21766	20512	16530	6380	0	0	0	5320	10490	0	17676	14656	26804	13542	7152	0	8308	5990	6426	26128	5120	13276	18270	9574	6270	7076	4116	5268	7286	28282	16744	32052	29870	10026	14748	21254	22696	20436	0	11236	18426	0	16262	4816	8830	9442	10436	3246	26880	6922	9188	0	39181	15510	0	10854	19668	0	15936	9522	4204	5666	7560	28808	7146	13120	8956	25072	7970	0	9114	6228	Lipid	0.2857143	1.3928572	0.035714287
10	C22 H39 O9 N5	518.28204	518.2829	0.34018695	518.2822	2188	3400	3223	6186	0	972	0	0	0	1038	5922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	81089	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4384	2816	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	322300	0	0	0	0	0	0	0	0	0	0	375102	93891	0	36287	3370	0	2412	2252	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4090909	1.7727273	0.22727273
4	C22 H39 O9 N5	518.28204	518.28314	0.108823225	518.2821	1854	1349	2456	1995	0	5387	0	0	0	0	1915	0	0	0	0	0	0	469	0	0	0	0	0	0	0	0	0	29824	0	0	0	0	736	0	0	0	0	0	0	0	0	447	0	0	0	0	0	0	0	0	2638	1112	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	219095	0	0	0	0	0	0	0	0	0	0	169871	60624	0	10073	1422	0	1651	1125	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4090909	1.7727273	0.22727273
6	C22 H39 O9 N5	518.28204	518.28296	0.051555075	518.2821	11172	11433	11552	12593	0	16738	0	766	0	0	10966	0	0	0	0	978	0	0	0	0	0	0	0	0	0	0	0	140384	0	0	0	0	2622	0	0	0	1923	0	0	0	0	1534	0	0	0	0	0	0	0	0	11426	13602	641	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	750413	0	0	0	0	0	0	0	0	0	0	831164	287155	0	63028	10771	0	9992	10130	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4090909	1.7727273	0.22727273
2	C22 H39 O9 N5	518.28204	518.283	0.18375035	518.28217	0	0	0	0	0	0	885	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10205	1081	1492	635	492	0	1459	0	1611	0	0	0	0	0	0	0	0	0	0	0	0	0	546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1161	2055	4237	560	632	0	0	0	45072	0	0	0	0	0	0	0	0	0	0	51949	13565	0	3005	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4090909	1.7727273	0.22727273
8	C22 H39 O9 N5	518.28204	518.283	0.23108464	518.28217	12098	10677	9907	14309	0	4602	643	0	0	1111	21929	0	0	0	0	0	0	1170	0	0	0	0	0	0	0	0	894	170046	0	0	0	0	1277	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12537	10425	0	0	0	0	0	0	0	0	0	0	1988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	806058	0	0	0	0	9771	0	0	0	0	0	1011234	360105	0	74543	13613	0	7489	9731	0	2138	3598	0	0	0	0	0	0	0	0	855	Peptide	0.4090909	1.7727273	0.22727273
28	C29 H43 O7 N1	518.3112	518.3119	0.03826846	518.3113	6761	4285	7358	4889	14159	3746	5964	6131	7684	4623	9923	2714	7845	2642	3818	6039	6690	4516	9745	6045	9222	7004	6540	7484	7385	27430	5306	12168	8876	6888	5392	7402	11954	6904	6748	10069	6729	3624	6935	7513	8956	3279	0	0	0	6166	3437	0	8296	7526	5938	6123	9953	0	12711	9430	4091	5673	4910	2637	6375	4797	6592	7457	2585	8148	5326	7654	27896	17189	19088	4440	5160	6968	0	4419	0	2973	8648	7361	4811	3660	6644	8750	17206	6036	14190	3853	2964	6212	6199	8682	4925	7170	2433	0	7983	6167	7269	16183	19341	10292	3289	10258	4261	7874	12969	0	5854	4373	Lipid	0.2413793	1.4827586	0.03448276
26	C29 H43 O7 N1	518.3112	518.31195	0.027114183	518.3112	42318	44090	47360	34070	66421	25366	25734	54206	48979	38312	56870	28178	53951	29822	35836	46111	46978	39977	66583	69091	63788	23491	41191	46816	41488	126209	25931	58979	53792	56407	38558	40438	57775	40230	49817	60010	54407	30013	32879	52123	49255	38114	0	0	0	46721	33517	0	47286	48273	46867	42835	47498	0	66817	46455	29599	50691	33676	31742	57078	29227	44076	42779	20576	40946	37665	42432	111021	95004	214666	32391	39113	40959	27453	42333	0	29014	51979	34918	33011	24514	42443	44082	69842	35449	56694	27665	36722	40861	39834	43527	52094	31517	34275	0	39744	49971	41914	62975	74810	72056	25295	52878	32610	40029	59608	0	45363	40437	Lipid	0.2413793	1.4827586	0.03448276
16	C22 H47 O12 N1	518.3171	518.31793	0.14993446	518.3172	188530	179805	168229	182218	97598	100676	95495	74315	80162	93755	210729	97744	68396	97467	83861	70337	84555	73069	54547	82223	79169	96296	76810	79234	81820	69361	153851	150818	70440	76907	90712	92495	92991	80057	72635	78708	89149	101259	84237	207193	143149	83037	193657	223302	177547	194787	134958	208642	78303	81276	179436	177572	96981	167093	65617	76630	110255	100570	1599937	143263	338613	342601	157195	79806	116173	102695	94903	93106	113688	110180	98438	89314	87955	89454	52368	96438	180910	96439	82373	190828	81840	107469	84925	90403	78720	86336	74473	99922	83447	106279	107010	101863	67073	126660	100159	191992	183080	169299	119245	84407	70299	83650	90435	577057	13653387	129060	73602	205498	100803	101375	Lipid	0.54545456	2.1363637	0.045454547
14	C22 H47 O12 N1	518.3171	518.31793	0.09734531	518.31714	84141	74641	81853	74883	24684	31713	112352	24421	25046	74468	184352	30638	16169	29243	29863	24799	61529	17068	9099	58974	17783	76819	24671	27897	23494	20787	403355	507135	15838	19588	25485	32044	19084	21622	19604	19611	18677	43981	50807	67603	266502	17921	95731	53291	35619	71289	344568	58428	30903	23348	86302	81724	24184	37281	16161	16088	31081	46881	128563	336056	199451	111975	31819	24486	28040	34891	29105	62036	884859	46233	479718	25697	22688	22673	19190	28453	38040	24654	27239	726941	21937	42273	33381	27692	17565	21338	23909	26335	23867	158549	131604	156247	25950	98182	117547	49885	90453	65348	29266	26083	15787	20101	30709	113545	282690	25829	17530	53180	25937	19444	Lipid	0.54545456	2.1363637	0.045454547
8	C23 H43 O8 N5	518.3184	518.31903	0.10164495	518.3185	970	0	0	0	0	996	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24575	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	823	1211	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	85088	0	0	0	0	0	0	0	0	0	0	93277	42045	0	2526	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.3478261	1.8695652	0.2173913
26	C26 H47 O9 N1	518.33234	518.3318	-0.2541561	518.3322	0	0	0	0	0	0	21626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7194	2910	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3541	0	0	0	0	0	0	0	2577	3066	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.34615386	1.8076923	0.038461536
26	C30 H47 O6 N1	518.3476	518.34827	-0.02172105	518.3476	14998	15575	15741	12108	26530	6590	7904	9036	13948	2570	8603	6978	8468	6752	5988	13668	17930	5019	25345	6185	0	26254	7291	7420	11515	14804	10024	13310	14582	20068	12002	13396	18232	8990	3169	22280	13939	7809	20007	8466	9399	13515	0	0	0	8253	9904	0	13149	13118	15224	11787	20142	0	23374	18845	9602	11695	8584	6669	9028	3652	6096	16680	4624	7833	14025	23468	8191	6140	10366	7871	8839	18475	14318	10417	0	8887	13470	75522	9694	4791	14224	8841	32471	15906	24746	7808	11312	23606	28728	37959	9133	66835	44279	0	14034	17220	19040	30165	33386	25191	9290	15667	0	10526	27851	0	11950	5896	Lipid	0.2	1.5666667	0.03333333
24	C30 H47 O6 N1	518.3476	518.34827	0.050752655	518.34766	5950	6553	4469	3569	10054	2206	6299	4197	7102	0	2500	3573	2298	3264	4011	9010	14921	2562	8316	2023	1975	11299	2234	2701	6156	3662	4355	4528	5099	5484	3793	5364	6486	3503	0	7476	5182	4867	14704	4214	4094	4457	0	0	0	1615	3199	0	4563	5120	4853	6320	10887	0	7486	4692	2652	8441	3099	6033	8124	1639	0	3874	3792	2810	3442	15322	3551	1611	1683	2333	2374	4695	8498	5303	0	3139	8601	20613	4742	1502	2896	2919	14991	6381	10547	6591	6086	15391	17376	19150	5359	20110	20672	0	5197	5352	3539	9879	8410	11713	3720	7419	2279	7469	10419	0	6441	0	Lipid	0.2	1.5666667	0.03333333
26	C22 H14 O15	519.0405	519.0413	0.18891378	519.04065	2236	4044	2276	2913	10762	2998	0	0	8161	0	0	0	20183	4521	0	0	0	10623	6453	0	0	2626	0	0	0	0	0	0	0	0	0	0	0	0	1849	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2262	2866	3212	0	8745	8350	0	0	0	0	0	0	19373	9519	0	11776	0	0	0	0	0	0	0	0	0	0	0	0	2849	0	3133	0	0	0	17071	0	0	2375	0	0	0	0	0	4638	0	0	2691	0	4781	14669	12986	0	0	0	0	0	4854	0	0	17879	Phytochemical	0.6818182	0.6363636	0.0
16	C23 H18 O14	519.0769	519.0778	0.1878371	519.077	12142	10364	11351	14485	31595	11145	0	0	37586	7306	14960	3279	63328	9615	2861	2012	0	33430	37929	6594	14169	36631	9957	0	0	1675	2647	2090	0	0	0	0	2249	0	23227	0	0	2145	0	3457	12143	4403	382	0	0	12817	30617	581	0	1296	9026	9047	15222	0	23464	37701	16708	2263	1551	3804	0	7250	74485	34977	11947	42085	10693	1544	3470	0	0	0	0	0	2620	0	0	2394	15467	25046	9874	27424	0	0	49474	13465	9545	4425	6288	0	0	3795	0	45568	26133	0	11301	11149	33401	47737	48568	2840	3902	0	26589	0	34620	0	1189	56447	Phytochemical	0.6086956	0.7826087	0.0
14	C23 H18 O14	519.0769	519.0779	0.17017265	519.077	15840	15824	13824	7316	42214	16194	3690	0	46010	19484	18404	0	68690	11852	0	0	0	34140	29808	6944	15948	56520	5484	0	0	0	0	0	0	0	0	0	2914	0	37106	0	0	3604	0	4870	23002	6866	0	0	0	16752	44814	0	0	0	15556	16170	17132	0	30176	53900	22730	0	0	0	0	11940	103530	47962	15296	45468	13182	5750	0	0	3032	0	0	0	0	0	0	2332	21516	0	14930	21140	3146	0	66304	17888	9070	11956	14700	0	0	0	0	75080	33500	0	21088	22976	41024	84754	69422	5264	2924	0	39426	0	43132	0	0	74328	Phytochemical	0.6086956	0.7826087	0.0
24	C23 H18 O14	519.0769	519.0777	0.2492981	519.0771	3352	4951	5063	5239	20482	8877	0	0	17898	6641	3104	0	38826	7553	2573	0	0	19892	13939	3311	6548	13043	4013	0	0	0	0	1396	0	0	0	0	1795	0	9200	0	1896	2324	0	3431	2543	0	0	0	0	6414	12160	0	0	0	7393	5644	9106	0	16722	18335	5049	1178	971	0	1476	3287	29582	18160	5458	17173	3502	0	1696	0	0	0	0	0	0	0	0	1086	6607	5607	7426	7022	0	1092	25048	10073	6210	2923	3979	0	0	2004	1308	14050	10684	0	5734	4840	11559	22011	22482	0	0	1430	9575	0	19076	0	1341	35527	Phytochemical	0.6086956	0.7826087	0.0
18	C23 H18 O14	519.0769	519.0778	0.24846207	519.0771	28180	34864	19358	25092	90406	31102	3462	3768	80330	14720	16902	2996	148860	27326	6804	0	3106	69742	64196	14206	29362	74782	17300	4916	0	0	4036	5992	0	0	0	0	9344	0	36352	0	0	7080	3566	10330	20536	15622	1730	0	0	26658	57500	1652	0	0	32444	26272	41406	0	85097	76506	29516	4096	4864	5370	7308	20718	171026	82712	18330	96386	18236	4700	7984	3470	9842	0	0	0	3174	0	558	4665	35820	41826	20018	58498	0	3622	97746	30264	18056	11674	16242	0	0	8446	7744	86860	52286	0	28730	21184	68560	104064	97056	4008	3494	0	48044	6830	68640	0	6188	109844	Phytochemical	0.6086956	0.7826087	0.0
26	C23 H18 O14	519.0769	519.07764	0.22114666	519.077	4122	6458	3822	5711	17212	7631	0	0	13728	6207	0	0	30910	7225	0	0	0	17876	14541	0	0	10704	0	0	0	0	0	0	0	0	0	0	1869	0	5274	0	1601	0	0	2597	0	0	0	0	0	0	9373	0	0	0	5294	5643	6397	0	15488	13664	4036	0	0	0	0	3200	29875	12792	2533	14574	2227	0	0	2451	0	0	0	0	0	0	0	0	8079	5933	6639	5592	0	0	19892	7714	4163	0	3204	0	0	2125	0	8937	10776	0	6180	5284	7794	14955	12638	0	0	0	0	0	10504	0	0	34538	Phytochemical	0.6086956	0.7826087	0.0
22	C23 H18 O14	519.0769	519.07776	0.33208647	519.0771	8250	11561	5678	7087	23393	9774	1069	0	20120	4012	3160	1322	43630	6700	1504	0	0	27086	14354	5589	7714	26291	3696	0	1579	0	1494	1949	0	0	0	0	1646	0	9344	0	2888	4319	0	3462	3838	3962	0	0	504	7709	16101	0	0	0	11193	7110	11336	0	27096	29977	9059	0	2700	0	0	5261	43119	28538	6660	27532	4226	0	0	1916	2264	0	0	0	0	0	394	1404	12229	8050	8642	10999	0	0	35937	9458	3886	3613	3304	1639	0	0	2440	24001	25372	0	6026	7443	20599	28578	27880	1544	1062	1683	14321	0	22893	0	2652	44090	Phytochemical	0.6086956	0.7826087	0.0
28	C23 H18 O14	519.0769	519.07776	0.27721658	519.0771	6020	4835	4959	4316	13550	6710	1024	0	11700	8359	1476	1527	28053	5080	0	0	0	17885	13087	3115	4307	9102	3640	0	2225	0	0	0	0	0	0	0	1474	0	9126	0	1093	1744	0	0	3707	0	0	0	0	3663	7082	0	0	0	4812	4065	6008	0	17751	14651	3323	1292	1282	0	0	3598	28581	13381	2169	17227	3589	0	2967	1919	1695	0	0	0	0	0	0	0	6095	4015	6401	4005	0	0	15924	6921	3791	0	2052	0	1209	1885	1753	9201	8084	0	6572	5901	11002	12987	13910	0	0	0	5041	0	10922	0	921	24490	Phytochemical	0.6086956	0.7826087	0.0
20	C23 H18 O14	519.0769	519.0778	0.26918194	519.0771	39796	41192	41400	49356	131372	59900	5336	6804	140772	39544	28924	6168	250428	42396	12920	0	0	124572	101828	11480	46608	119275	29028	6784	10480	6528	0	0	5828	0	0	0	0	0	54556	0	12212	19348	0	25452	20700	17952	4280	0	0	61084	93042	5896	0	0	39352	28820	54872	1208	139752	139366	48820	12184	4300	12252	8600	34724	271740	136184	44672	135664	21516	7048	9360	8472	16560	0	0	0	0	0	1568	7564	42748	70648	36920	65728	0	0	153940	61396	33988	17160	36328	11364	16384	10032	10352	139240	97014	0	43908	52208	104238	157574	150880	8088	3960	8092	89824	0	132556	0	4720	240140	Phytochemical	0.6086956	0.7826087	0.0
12	C23 H18 O14	519.0769	519.0779	0.10908815	519.07697	2106	3405	3896	4128	8819	2812	0	0	9791	5030	2738	0	15378	813	0	0	0	6400	5441	1228	3726	15193	1135	0	0	0	0	0	0	0	0	0	0	0	11751	0	0	0	0	1782	4041	1820	0	0	0	4060	15457	0	0	0	2848	3792	4013	0	6317	14204	3110	0	0	0	0	0	29667	8917	3237	13034	5249	0	0	0	1288	0	0	0	0	0	0	0	3099	0	2773	5573	0	0	17444	3091	1605	2505	1518	0	0	0	0	13168	6411	0	1818	4997	14618	21980	18081	1794	0	0	0	0	11839	0	0	19481	Phytochemical	0.6086956	0.7826087	0.0
10	C24 H22 O13	519.11334	519.11426	0.23891453	519.11346	6065	11416	7010	7249	11357	6207	1124	1964	18073	21212	19227	3747	17724	4656	1822	3585	2183	10990	9496	9163	14643	16287	6022	2962	0	3847	3175	5640	1520	2173	2571	1922	2650	2024	34169	2801	2371	3266	4829	5152	13843	3279	0	0	0	9838	25686	0	2365	1510	7149	7411	7420	0	12466	8763	4885	4163	2111	4854	0	5942	19351	11537	4329	15192	3820	5060	8093	3820	14220	1134	2346	1104	4318	971	0	2969	11104	10868	8024	9973	1463	2687	16974	5587	7255	6042	5183	4378	0	1745	0	17327	18394	0	6850	6905	20260	16122	16600	2069	2320	3636	0	4155	12431	0	2977	15588	Phytochemical	0.5416667	0.9166667	0.0
26	C24 H22 O13	519.11334	519.11414	0.29145944	519.11346	7370	6072	7502	5717	8620	6442	0	0	13947	14990	3054	0	24732	4599	0	0	0	14563	13133	8952	8280	14888	0	0	0	0	0	2177	0	0	0	0	1618	0	20672	0	2112	0	0	4475	3472	0	0	0	0	11935	14213	0	0	0	5024	6044	4916	0	18365	12114	3924	1812	0	0	0	4940	26203	11457	0	9325	2968	0	0	6521	6009	0	0	0	0	0	0	0	5714	6421	3190	10695	0	3073	16771	0	5867	0	0	1786	1833	2887	0	12088	19539	0	6554	6798	7851	12935	10055	0	0	0	10246	0	8159	0	0	23422	Phytochemical	0.5416667	0.9166667	0.0
22	C24 H22 O13	519.11334	519.1141	0.20995143	519.1134	22847	20670	20009	21389	40291	21454	4590	2458	43199	48468	14461	2640	55896	18376	6862	0	2762	46479	34705	27131	29596	50990	8778	4009	5055	9527	3571	9957	1444	1311	2668	0	4362	2799	51994	1560	3811	7134	2107	18895	16373	4833	0	0	0	44721	49180	0	1851	1297	20770	17483	19295	0	46541	35052	6834	5434	6626	1698	5124	19055	59826	38988	10172	37570	12850	2636	11480	22341	12618	1276	0	0	1018	1873	322	3757	18137	24279	14087	44900	4713	12718	40457	21338	14685	6564	7163	5477	0	13504	5071	39308	54485	0	18369	13244	27820	31865	30840	1970	3783	3959	40929	4569	29375	0	3212	69574	Phytochemical	0.5416667	0.9166667	0.0
24	C24 H22 O13	519.11334	519.1141	0.2566568	519.11346	20472	20748	19382	18890	40808	20818	3976	4662	35976	58488	14706	3122	86950	13386	11198	5252	0	53752	34954	29442	33342	53520	12106	3992	7098	13422	4094	9842	0	0	4528	3918	2714	1864	64170	2438	6540	5442	0	22788	18654	5462	0	0	0	38972	56138	0	3432	0	18802	24200	17400	0	51074	41252	13602	7818	4136	0	6888	20026	80002	35016	8758	46966	7846	3892	15362	16388	22400	4384	0	0	0	2094	0	4878	19910	29844	15346	51636	4652	9868	45168	24462	13886	7628	10464	5926	8542	9388	10166	40434	59950	0	18362	22422	23660	38076	25228	5556	5436	3854	38224	4238	28518	0	4262	64226	Phytochemical	0.5416667	0.9166667	0.0
20	C24 H22 O13	519.11334	519.1141	0.18104751	519.1134	39112	38057	42538	33294	58819	41715	4562	4137	70168	80259	26188	6342	130681	29141	21484	8544	4400	77781	59158	46536	46713	89064	25229	10808	12301	10879	5866	16110	5038	3468	6657	6919	11831	5986	106535	3093	16134	11069	2093	34139	19880	10863	1729	0	0	82954	99354	612	4190	5294	43692	37860	39957	0	83055	54197	20136	8931	14411	7160	8109	26086	121320	59141	18313	73451	22467	3893	18703	20752	22836	5711	1926	2653	0	3723	0	9258	33420	43689	26419	73721	6503	21541	73944	38275	23353	11196	20155	7064	11363	22842	13313	71559	78069	0	39763	34570	55950	63335	60734	10503	6514	10655	71700	8433	43495	0	9560	112447	Phytochemical	0.5416667	0.9166667	0.0
14	C24 H22 O13	519.11334	519.11414	0.13664797	519.1134	47047	46371	35080	44018	45748	27931	14180	9248	67363	113907	68302	14458	91557	22615	19506	19082	9836	56162	50916	63491	76838	102357	21472	14987	7069	16207	12091	32616	10837	8571	8864	9374	20514	8715	142133	5707	20287	18332	13438	39711	48138	16429	0	0	0	80369	125678	0	7603	8913	39303	43453	35073	0	62786	56639	23212	20669	15883	9961	0	32089	102659	61077	25101	65553	28698	15342	32105	25601	39641	12674	6048	4617	8207	12072	0	13259	36159	85653	28884	71418	11905	20487	67056	31340	41629	16758	18532	12856	14447	19548	16102	100366	84855	0	52518	40649	51460	74279	50355	10165	13472	9955	101922	11889	49115	0	10494	82558	Phytochemical	0.5416667	0.9166667	0.0
14	C23 H22 O12 N2	519.1246	519.1254	0.15478884	519.12463	15595	20309	17151	14832	21186	8952	7436	3601	26289	38781	16737	4208	41575	4995	7850	4476	6090	25249	17398	26489	35943	55169	7010	6956	3207	2962	5504	8504	3762	3468	2846	0	9742	5534	49656	4199	7747	5760	3496	29830	46263	8823	0	0	0	47605	87221	0	4775	4971	14261	16839	10321	0	29596	18547	7932	8110	6736	5763	0	26406	45401	24543	7669	28986	9168	5474	0	10075	16327	4064	2189	1826	4126	3725	0	5134	9500	37210	9040	37802	3305	14369	22852	9727	12284	8439	8833	14552	6272	8620	13419	54897	39484	0	18072	16089	15065	22174	21095	7716	3570	7758	57577	7840	13884	0	5459	36602	Phytochemical	0.5217391	0.95652175	0.08695652
16	C23 H22 O12 N2	519.1246	519.12537	0.18329316	519.12463	11087	14319	12657	19694	23367	10281	3604	6308	18298	36898	16352	3548	36188	5568	6827	8309	5171	19981	18605	25702	30296	56667	6379	6401	4310	0	3946	5677	5817	3793	4730	6391	6410	5953	49630	4700	8679	5651	5401	31732	31772	6946	0	0	0	46240	66823	0	8200	3171	15588	17454	11956	0	24786	19811	7145	6857	4998	4185	0	22844	44563	20349	7217	23854	8126	4311	8230	10972	13300	5036	3647	3211	4776	1800	0	4556	9435	34643	6960	41279	3568	13347	25057	10007	9664	5675	6845	0	5689	12551	0	43170	39943	0	15050	16928	11424	16888	19390	7577	4854	4753	50035	0	15234	0	6254	31798	Phytochemical	0.5217391	0.95652175	0.08695652
12	C23 H22 O12 N2	519.1246	519.1254	0.16330221	519.12463	12803	11541	10470	9623	13252	8618	3212	3502	19754	29557	16933	5973	24918	3998	4981	5120	4262	15346	17322	19460	34302	41779	6612	2976	1636	2943	2801	0	2467	1837	4370	5373	6581	3063	50498	2704	3613	6155	6684	21480	41316	4746	0	0	0	36698	79890	0	4490	2133	10657	8410	8137	0	24409	12494	5338	7700	0	0	0	16360	36441	17902	4695	17853	5702	5950	0	8240	12958	1992	2019	1150	3042	2373	0	5305	13052	15898	7211	29365	2511	8727	18447	7397	6764	5531	5686	11761	2836	7030	9638	40638	32310	0	10638	14036	11238	18404	16658	6685	3868	6018	28455	6858	11876	0	5482	27489	Phytochemical	0.5217391	0.95652175	0.08695652
18	C23 H22 O12 N2	519.1246	519.12537	0.1735731	519.12463	10897	12659	7570	10165	11587	4743	1963	2477	10727	27029	10561	2525	23743	5243	5406	2074	3729	15683	16476	13455	25478	29782	4455	4888	3796	2539	2222	4728	4778	3032	4291	0	3388	0	32045	3480	4717	3511	2724	23125	16442	6442	416	0	0	36441	45888	0	4515	2751	13057	12756	5184	0	26220	8010	4960	5995	9550	2440	3462	27525	33612	19619	4303	16321	5136	1959	3851	5141	6320	3990	1580	1550	2708	0	0	2199	12469	17227	6394	37527	2443	9550	16435	8064	9019	4080	5773	5344	5162	10852	6542	37011	36289	0	10061	12121	9256	13337	11478	5204	2738	5332	32875	8185	9328	0	5145	30816	Phytochemical	0.5217391	0.95652175	0.08695652
20	C23 H22 O12 N2	519.1246	519.1253	0.19899519	519.12463	4661	4352	2249	6501	9666	4674	1355	2415	10237	11217	4546	1700	18759	0	2681	3289	2007	8325	7296	6871	12784	21667	0	2680	2293	3017	1872	2532	2812	0	0	1610	4858	1418	21404	2222	5420	2621	3400	12516	9601	2371	604	0	0	27525	32924	0	1881	2049	6060	3116	4845	0	12841	6416	4731	2218	3393	1452	2694	8503	15008	10415	4347	6941	4075	0	2689	2920	3744	2760	1254	0	1494	1776	0	2673	3811	11598	3610	21346	0	0	7671	5705	3253	2351	3076	4000	3211	7450	7173	22470	20632	0	5510	4785	4833	8887	4794	0	1697	1867	30318	6615	4324	0	2597	18492	Phytochemical	0.5217391	0.95652175	0.08695652
12	C25 H26 O12	519.1497	519.1506	0.17471914	519.1498	37778	42501	39577	43803	21574	16803	27130	27433	29034	100546	67455	20471	29017	13061	17808	21436	23608	29018	34228	69846	136358	76197	24232	30184	14775	37769	22868	24478	21254	18405	24967	17930	21735	20817	236226	22163	22046	22166	29946	48987	76414	13197	0	0	0	70905	98554	0	26172	24228	42931	45374	21345	0	32763	24657	15129	28352	21848	25733	17986	35975	39972	21413	12600	27660	15161	25087	45309	49343	59982	18280	21820	20187	17860	19282	0	19247	32824	29650	25721	51077	21442	31209	29720	18894	28721	13583	15705	42624	20733	27414	21549	58099	59741	0	39114	33050	39300	27633	23491	24518	16785	35993	63224	21554	22115	0	16606	40735	Phytochemical	0.48	1.04	0.0
22	C25 H26 O12	519.1497	519.15045	0.17292558	519.1498	43953	47813	38974	44776	58895	44066	9168	18797	74151	142994	48680	12044	92625	35645	21624	17206	8387	92083	56981	80707	87738	76830	30252	26804	18838	45978	9162	30439	11011	9591	16691	17575	21674	12781	162617	12793	22540	21934	12733	55579	37576	18230	0	0	0	101696	93214	0	19277	13378	46266	46736	44422	0	73572	49874	24110	20671	18593	8313	17498	49563	102172	60405	22831	63262	28691	8774	37582	95607	63660	12048	10378	11173	7983	15755	461	18092	34730	40155	37009	77493	14014	49032	63654	38643	32180	18082	22701	13624	31050	33742	25282	64457	84972	0	44046	41413	50101	52723	52353	18490	11349	20609	77020	19319	40003	0	15682	105140	Phytochemical	0.48	1.04	0.0
24	C25 H26 O12	519.1497	519.15045	0.19961934	519.1498	16922	17912	18401	22517	31106	16636	4741	5172	24659	68615	17426	3487	58182	11894	8575	7609	3839	36851	27493	35353	29132	36952	11922	11163	4164	20863	3410	11698	4750	1700	4366	4446	6718	4521	75366	2830	8456	8862	4330	21327	16876	4664	0	0	0	39305	43230	0	3647	6212	22478	15544	16549	0	35277	25737	11406	7981	8331	3317	7186	19313	45203	25955	10481	33022	12000	4467	17596	46374	27314	5044	3274	3451	3525	3522	0	5992	19914	17083	16230	39368	4519	13487	34372	21442	12497	6027	9446	3985	8632	11459	11477	26264	39355	0	20723	17892	22959	24920	20901	3822	4877	7481	32763	5161	19176	0	6236	50684	Phytochemical	0.48	1.04	0.0
10	C25 H26 O12	519.1497	519.15063	0.1754489	519.1498	12544	11376	11325	11084	8546	5703	6837	8079	10846	31846	16771	8105	9440	3698	6815	10137	7735	8587	5687	21282	23756	17331	6886	8685	4833	11615	9975	9352	6821	8038	8394	9900	6777	7794	35088	6619	5976	9178	10409	11472	21504	3275	0	0	0	18348	27938	0	5273	6887	10780	13877	7602	0	12222	7961	6198	9538	7431	12758	0	11025	12940	9762	5996	8089	5012	12788	12447	15870	20831	7103	8432	6091	7501	5859	536	6124	13908	12553	10371	18164	6965	7751	11032	5130	12562	4841	3240	7584	0	4208	9906	13654	18693	0	14360	13267	8361	10153	12451	10878	6678	11742	0	7637	9701	0	7551	10891	Phytochemical	0.48	1.04	0.0
26	C25 H26 O12	519.1497	519.1504	0.20449452	519.1498	6567	6260	9888	10780	12875	6619	1806	0	18567	32025	8090	0	34739	8492	0	0	0	17076	11677	20745	24828	13604	5741	0	0	11365	0	5809	0	0	3916	0	2352	0	31621	0	2979	2921	3060	14641	10301	0	0	0	0	19205	22258	0	2636	0	8894	7702	8750	0	19660	13841	4653	2876	3599	3219	5441	7355	22683	13182	5468	14002	5943	0	10989	19445	16873	3322	0	0	0	0	0	2887	9151	8774	7569	12101	0	7189	16286	8044	4996	4204	3803	2558	6398	5647	0	13680	21845	0	9586	9484	9951	14703	12989	0	0	0	13685	0	10933	0	4364	25938	Phytochemical	0.48	1.04	0.0
16	C24 H26 O11 N2	519.16095	519.16174	0.09309178	519.161	46575	48091	40943	59475	36844	28948	21941	30028	43443	106402	51128	20395	66108	17437	39220	36214	20461	43515	55010	75088	88060	96728	29814	39932	31207	30438	18826	29937	34445	22746	26404	32202	43917	22791	136551	24515	36833	21387	24130	75150	50231	22205	775	0	0	83061	68075	0	41754	27180	48069	46002	33546	0	54760	28388	20402	35137	31752	18622	37710	51545	63981	37920	14962	46480	28926	23387	31227	47889	44943	35837	26164	24967	20355	28629	0	21576	38485	48968	27608	57928	26657	51380	31145	22242	33429	26528	24915	41005	44358	60051	89731	60576	87376	0	50535	43076	26740	33689	29152	39480	21632	37686	56117	44105	28955	0	31940	74552	Phytochemical	0.45833334	1.0833334	0.083333336
12	C24 H26 O11 N2	519.16095	519.1618	0.101877764	519.161	44017	41118	34449	38631	27894	19725	20815	37528	36897	94457	41500	22334	42821	10842	26833	26728	32011	32809	38096	78539	77846	102132	27744	36706	22002	19816	21532	39845	24259	26216	24492	24148	35702	24143	139035	20231	32805	21643	32800	78041	89767	17547	288	0	0	85604	104114	0	28887	22418	41218	42260	24208	0	44864	24465	16378	28103	31302	28983	33738	59350	51158	32089	14336	31985	21234	29472	34730	42596	49280	28949	25124	20172	18795	24452	0	19896	35257	53894	25580	53179	21828	37743	25766	15442	25977	16434	18853	49267	28754	35966	48760	64510	58328	0	41226	41322	30290	26165	26865	29948	16073	33405	68662	36255	22353	0	23973	54007	Phytochemical	0.45833334	1.0833334	0.083333336
18	C24 H26 O11 N2	519.16095	519.1617	0.11176831	519.161	27118	28958	22729	26454	15858	20875	15128	21210	23794	83045	22189	8363	41687	8973	25905	20500	14938	30704	33714	58548	40681	58497	19556	22549	19563	10539	11540	22037	20416	10300	21323	17716	29518	14724	91592	15571	27634	16051	13734	53831	29447	17101	540	0	0	70362	43226	0	20003	12904	27764	28823	23776	0	42913	21369	13671	23683	25028	9076	25744	41410	41237	29831	11015	31617	18922	11298	16230	27863	21343	17397	14354	12057	11150	11280	0	15684	21216	35303	18856	40491	20176	32392	26652	12177	20644	13676	17135	20077	31795	35096	42639	37509	63550	0	34687	30973	20215	20415	21827	15081	14836	27191	37715	26001	20537	0	22062	49266	Phytochemical	0.45833334	1.0833334	0.083333336
20	C24 H26 O11 N2	519.16095	519.1617	0.19037272	519.161	17814	12384	12741	17232	13251	9339	5610	9275	19221	29474	12944	5976	20354	5890	7920	6522	5019	15989	14121	16026	20572	32250	14017	10086	11486	4984	5856	7762	8831	5232	6421	8383	12325	9761	43716	5885	10054	6217	5572	24845	9363	5406	427	0	0	37875	22580	0	6629	4941	17633	17645	9339	0	19162	11599	6724	11009	10344	4009	9157	20058	26815	18804	7182	14209	8699	6375	5887	9235	8064	6567	3105	5015	3969	4995	0	4803	11492	11500	9152	19029	8770	17562	11983	7387	10445	7589	8223	8249	14224	12167	20951	22244	24542	0	16881	11636	10835	11783	8281	11165	8514	10612	23274	9519	10833	0	11543	19134	Phytochemical	0.45833334	1.0833334	0.083333336
22	C26 H30 O9 S1	519.16833	519.16925	0.58214223	519.16864	17735	16425	25056	21798	8028	5923	0	4404	10831	61446	28543	2007	13611	0	2837	2571	3496	15264	18618	45044	47954	33376	5291	3998	4930	38854	3004	50112	3500	1601	0	0	6341	2803	61733	3915	4626	2247	2809	37792	53442	5038	0	0	0	21935	33704	0	2592	1760	32920	11596	9309	0	14913	8959	3847	6323	13754	12572	2476	28733	7651	9090	4905	14293	5883	4299	28793	52445	42873	0	2345	2115	2650	2024	0	4120	8149	36074	3746	16345	16742	25166	11188	6977	13990	5081	7013	12560	47230	39024	15574	52420	46830	0	22072	15072	11018	13480	7637	5671	1358	17950	31054	5902	15706	0	3269	14722	Organosulfur	0.34615386	1.1538461	0.0
10	C26 H30 O11	519.1861	519.187	0.16324846	519.18616	9210	9653	8029	7983	4418	3428	8369	11666	5537	24394	9195	9953	3341	0	5150	9396	7949	4531	7924	14835	11102	7712	7110	10534	4834	14546	8951	7729	6772	11929	8878	12904	9386	6159	25618	10242	8187	7420	11941	11522	9517	3651	0	0	0	8616	14444	0	9741	11206	11890	10711	3938	0	5161	3918	2354	7092	6320	8372	15185	4264	3701	5682	3314	2997	3330	11665	9696	11068	15877	7979	10263	8488	11780	9135	0	5645	12047	0	12746	10198	9581	7608	7223	4269	10128	2414	3754	10054	6503	4625	7786	5622	10189	0	8758	10439	4789	5028	5514	8678	4063	9628	0	5803	5232	0	7163	6528	Phytochemical	0.42307693	1.1538461	0.0
12	C26 H30 O11	519.1861	519.18695	0.122761205	519.18616	41104	40225	44026	39458	15184	11838	41563	44152	25342	60226	41309	26080	17865	9314	23488	39800	36022	15831	30014	128228	89466	42078	27540	40247	22194	35528	30709	30687	23166	29508	31437	32691	34822	27340	67936	27697	29265	28444	33714	101202	64591	15808	0	0	0	50827	61504	0	33545	34835	37386	28340	14196	0	22848	13063	11904	35462	31264	36073	37771	29927	25942	20569	12632	19396	15637	47592	46013	86726	61915	25857	29642	37566	28642	30676	0	23863	35835	0	35650	32735	24522	31378	21585	13174	36548	13879	16694	44322	18483	27044	30698	22633	29606	0	35303	38858	19980	23666	20499	35358	18661	51380	47963	25842	17099	0	26153	21870	Phytochemical	0.42307693	1.1538461	0.0
22	C26 H30 O11	519.1861	519.1868	0.100418895	519.18616	134871	133501	115825	118341	130819	106495	42688	90271	159602	342217	122118	51043	182126	81015	88731	78078	43472	194701	153356	275613	238913	162215	100432	98582	88655	174747	42908	108689	78215	66775	77351	87523	96412	71640	383123	74388	112444	71017	48281	185885	101559	48739	3758	0	472	208934	143511	0	81059	73276	125395	132468	97623	514	184902	127894	64973	81265	88300	40101	81224	128315	207172	141287	56810	147109	80910	43656	138497	324462	218231	87116	64039	66517	42862	71744	0	67358	117849	59309	99740	131415	64777	112588	141120	86168	92034	59760	66723	56702	104628	99619	103277	98330	142062	0	124452	112471	116402	121304	112742	84963	63152	88505	132236	81085	114868	0	65436	217318	Phytochemical	0.42307693	1.1538461	0.0
26	C26 H30 O11	519.1861	519.1868	0.12639438	519.18616	21160	15939	17893	19981	23515	17232	4494	11063	29104	62511	18666	6101	46762	13579	13329	10780	6825	34858	29217	51699	41856	25297	13999	15723	7998	31286	4226	14337	8808	7662	8129	7176	8198	11152	59815	7397	11860	11244	6424	27535	18251	9584	0	0	0	27495	24403	0	10902	7836	20029	20889	16167	0	36834	25374	11443	11647	11396	4946	12721	14453	41007	23576	6977	29279	14611	5666	29486	58305	41375	12989	4945	0	8619	7795	0	8396	21299	8795	21979	18546	7659	17848	37403	10501	20819	8395	10700	5031	12668	15068	18105	21017	32763	0	22509	16685	21241	23701	22096	8756	6723	10855	17067	6939	19400	0	10114	40839	Phytochemical	0.42307693	1.1538461	0.0
28	C26 H30 O11	519.1861	519.1868	0.1536403	519.18616	9325	5864	7425	7625	11737	6176	2241	3849	12084	27086	9954	3297	22566	5584	5799	4624	0	15971	9654	22763	17683	8849	7413	6205	3966	13459	2613	7151	3521	0	4415	2225	3317	4128	31565	2763	5832	4091	3236	10987	5282	2202	0	0	0	13069	13520	0	5066	4023	9360	9345	7690	0	11551	8993	2980	5744	3192	2955	6041	5980	18040	8314	3590	13364	5663	2752	15122	29243	21623	2971	3966	0	2195	2763	0	2619	9837	6695	5781	9037	3792	8506	11573	6470	7743	3163	3623	1873	7341	7989	7074	7208	15051	0	9078	8152	7388	9968	7145	4073	3667	5552	7352	4273	8252	0	4023	14438	Phytochemical	0.42307693	1.1538461	0.0
24	C26 H30 O11	519.1861	519.18677	0.108228154	519.18616	51407	47722	45959	51356	49844	40980	17232	34481	73900	140447	48685	22376	114761	33089	32521	28488	14178	71778	72971	114761	101440	53718	42775	41419	28293	69876	12335	39949	27758	21973	26342	22815	31216	23896	152226	22161	37444	27034	17697	66609	36410	21344	0	0	0	79395	61576	0	28436	22289	49393	44942	44183	0	72284	49142	23632	32218	28876	13665	31966	53548	93620	57500	27229	75836	29485	17639	59739	131460	98181	32669	21445	22388	15664	20807	0	22001	53448	26014	44276	47857	21971	44676	62258	34342	47233	22195	25280	26928	36142	36959	40636	33779	66243	0	52108	51961	47432	58561	56286	29741	15984	34947	50940	26583	41332	0	25343	94346	Phytochemical	0.42307693	1.1538461	0.0
18	C26 H30 O11	519.1861	519.1868	0.12481879	519.18616	312432	287441	268922	260133	229834	162962	141840	261867	242606	744392	330373	134102	332099	133019	192987	223513	116329	258418	306134	585656	485593	295856	209732	234766	158289	408938	122022	259168	225891	180210	212774	215743	215847	192666	812079	197096	223332	186917	141742	872444	267919	132444	5147	523	0	391343	286147	743	222079	192725	285983	273376	188695	772	302336	191537	130959	238094	200624	117844	203405	548464	313838	229535	112258	243707	173638	154516	296376	578205	495658	214911	176478	192675	131913	218056	0	162081	255341	178162	213080	275004	163837	270499	233034	148021	212106	126697	149481	160470	213957	251314	260002	204615	319322	1499	275070	259099	236553	184420	174098	202550	137917	224004	229458	177026	179421	0	160194	287973	Phytochemical	0.42307693	1.1538461	0.0
18	C25 H30 O10 N2	519.1973	519.19806	0.014558068	519.1973	39165	41825	43803	34570	28265	28697	30566	46872	28212	82075	30613	15920	45750	14989	36741	46129	18719	37549	44427	78227	73684	55071	34339	54876	42863	18137	22354	39984	44295	33278	37295	37319	41090	45980	89440	36780	54964	30335	27374	68937	31317	23925	576	0	0	47653	22842	0	42314	28277	41369	40097	26824	0	48756	32233	18564	45668	43633	18358	41034	47657	38932	32700	15970	37968	29200	26202	16631	41995	16766	36786	28104	29926	27688	35937	0	28221	37245	27382	29782	36814	38674	33271	24261	20367	32281	24415	30525	33064	60899	76453	84759	32769	63756	0	39364	41112	20661	29281	30731	46019	27354	54361	32970	41164	22647	0	29589	43200	Phytochemical	0.4	1.2	0.08
20	C25 H30 O10 N2	519.1973	519.19806	0.051701043	519.1973	21890	20561	20216	21126	11505	15518	16976	21415	16218	40551	13520	10700	18819	7738	21387	14183	9948	19388	19950	34868	24050	30850	20759	21844	24089	5056	9038	14748	20282	13896	21730	18292	27314	15062	50414	15219	24306	14749	10162	31300	17885	12588	0	0	0	23518	14716	0	23665	13115	20531	18600	18534	0	27210	12420	11177	24985	24013	5981	17939	19658	16860	15008	7968	13239	15043	10424	5163	21190	6298	22027	12158	14617	9366	13746	0	13767	19931	6527	12851	12470	18684	13969	7643	6628	13986	11985	15311	16130	37686	33513	44654	15084	22422	0	17111	17773	10243	12619	14647	20858	10670	21731	12232	25404	7960	0	17224	29480	Phytochemical	0.4	1.2	0.08
8	C25 H30 O10 N2	519.1973	519.1982	0.033835117	519.1973	17948	15235	12406	17187	8453	7512	7956	10710	8590	37330	18877	7386	18460	3421	7660	14427	8411	10873	13782	33937	30113	31689	9312	18922	10345	7511	8216	12253	11797	9315	10654	12069	16665	12227	43877	9953	14371	8329	14608	32152	24459	7500	0	0	0	25322	23750	0	12857	14455	16239	17641	6861	0	13629	8538	4843	13549	11179	12837	13934	16818	12333	14217	3755	12308	8079	15458	7908	14727	17193	13732	12397	9005	7467	11128	0	7237	13329	14532	9314	11063	10751	18082	8381	3786	11334	7037	7545	19500	15036	20029	26709	18005	24408	0	15382	16983	7570	10327	8307	12348	5854	19144	6881	14449	6725	0	9903	13119	Phytochemical	0.4	1.2	0.08
24	C30 H30 O8	519.20135	519.202	0.05920494	519.20135	17674	18016	13878	16570	17547	7568	4369	8831	17395	38230	47612	3224	18308	11556	7804	7826	4532	13610	16158	34028	32420	14338	7684	7053	8554	105052	2947	39718	5620	4617	7705	4089	6685	4525	36652	5645	5792	4958	4883	25199	29368	6459	0	0	0	17638	20514	0	6907	3732	14797	17648	11586	0	15511	14014	8832	7097	5775	6718	8369	22716	16712	8321	8890	16003	15701	6756	96784	76406	114117	6138	4511	3181	2934	4475	0	3830	16609	16096	11365	14169	8523	27063	26200	10831	13543	10840	10091	7765	3294	4708	9419	21795	17697	0	12758	10113	18628	22631	21129	5884	5210	6346	14057	9222	15986	0	8660	11507	Phytochemical	0.26666668	1.0	0.0
20	C30 H30 O8	519.20135	519.202	-0.002721048	519.20135	11146	12136	8582	11225	8371	5107	4290	2520	8212	10709	17442	5155	9164	6911	5251	9181	3103	7321	13109	13111	21207	7122	6784	7196	4359	54084	3029	19234	3615	7522	3330	6839	6309	3718	19479	0	6874	6613	6732	13567	17931	3855	0	0	0	8585	11295	0	6392	5154	10551	7813	7362	0	3799	8708	4278	6954	2894	6479	7445	7902	6342	4025	4399	5694	10538	7876	35521	51205	62882	5088	4824	3950	3299	3300	0	5745	10885	3240	7393	7569	7445	0	10338	4972	9538	4954	6524	12607	9529	6939	7281	7179	4038	0	8562	6244	12075	12969	9618	5583	2988	6913	6758	6980	6165	0	7662	5693	Phytochemical	0.26666668	1.0	0.0
28	C30 H30 O8	519.20135	519.202	0.038450513	519.20135	1685	0	2178	2307	2322	914	0	0	2426	3854	3951	1396	3114	1285	0	0	0	0	2528	0	4609	0	0	0	0	11951	0	4687	0	0	0	0	0	0	4907	0	0	1155	0	3199	4481	0	0	0	0	0	2654	0	0	0	2656	1501	1946	0	1823	3086	1160	1247	0	0	0	1748	2869	1487	2101	3381	0	1949	15951	9664	22173	0	0	0	0	0	0	0	0	3005	2096	0	0	3412	3448	0	2457	0	0	1994	2090	0	0	3685	0	0	1449	0	2008	4662	5172	0	0	0	0	0	2413	0	0	1469	Phytochemical	0.26666668	1.0	0.0
26	C30 H30 O8	519.20135	519.202	0.062447656	519.20135	8702	6797	5923	4578	7583	0	0	0	11287	13040	16334	0	12886	5234	0	7156	0	5817	5872	12168	14391	5061	0	0	0	47230	0	18936	0	0	0	0	0	0	16091	0	3502	0	0	10997	17044	0	0	0	0	8745	8616	0	2954	0	7922	11361	5006	0	9583	10729	4413	2992	0	0	5983	7703	7600	7308	3851	8096	6433	3409	51947	35887	59648	0	0	0	0	0	0	0	8003	7423	4115	6970	0	15932	18137	0	7137	5202	3954	6876	3693	4410	0	8170	5857	0	9104	9619	10163	13911	14966	0	0	0	0	4024	10682	0	6163	7440	Phytochemical	0.26666668	1.0	0.0
24	C27 H34 O8 S1	519.2047	519.20557	0.5149723	519.20496	19996	15283	23874	18794	19080	16782	2545	4641	11841	50378	30210	2585	18106	10236	5898	15476	7813	9428	20883	49780	37143	34859	4370	14292	6778	78738	3184	30396	7171	3660	4905	15592	9602	5687	59807	2889	8735	3127	9150	40576	33482	5218	0	0	0	46864	19070	0	5200	2681	15794	15228	6380	0	21828	8055	12004	8555	37814	19326	7036	31895	8525	8970	3807	13874	8315	11834	35854	69644	45982	4315	3230	1703	4502	4180	0	2697	12182	46558	4085	23728	23014	32994	14108	0	15828	16736	10275	18564	41619	31562	13458	29220	46233	0	14312	18643	5255	8848	7124	13372	4145	16850	15039	12726	14036	0	6167	25480	Organosulfur	0.2962963	1.2592592	0.0
14	C24 H30 O9 N4	519.20856	519.209	-0.27708703	519.20844	0	12430	6535	8261	0	3245	5255	15029	5859	15182	5926	3171	3838	3331	11952	8456	4824	6698	9171	18789	17355	6867	10912	17470	11661	11382	3064	0	12895	9367	9982	0	17672	12110	28947	10629	11873	11187	12395	24131	20281	3767	0	0	0	15567	0	0	8441	6009	6973	0	5174	0	0	5398	1781	14366	0	0	0	8259	5544	2353	2913	5324	7297	9898	0	11763	12124	10569	9597	10701	7066	7932	0	5608	10444	0	4972	8926	10047	9839	5382	0	12846	3927	5081	16636	12611	13842	28508	0	4791	0	0	13471	5227	2827	3046	8757	6321	13349	0	14800	5379	0	9493	7111	Peptide	0.375	1.25	0.16666667
28	C27 H34 O10	519.2225	519.2232	0.08915665	519.22253	16426	14883	16930	15158	21013	9220	6813	12494	16313	37798	13948	5893	32451	9927	11490	12741	6196	22794	23439	37121	34792	13071	12150	13479	9333	31507	6868	16601	10911	10536	11066	7636	12158	9145	40317	10621	15263	7842	7810	19269	13299	8614	0	0	0	14632	12294	0	13410	11004	11771	13909	11724	0	19077	16527	5041	13419	9103	3983	14734	11736	23366	15698	6622	18393	11074	8823	29011	57196	46528	6929	7402	7959	5303	6867	0	8223	17545	6907	11767	8474	8907	13299	16364	10233	15314	7234	7727	7847	14077	15743	14100	9136	12975	0	16329	16863	11684	19596	16950	10635	6407	13320	10136	9538	12380	0	8926	24012	Phytochemical	0.37037036	1.2592592	0.0
24	C27 H34 O10	519.2225	519.22314	0.09761753	519.22253	161784	141789	143737	133220	149367	119845	52033	113976	174510	346053	136436	65077	245557	80901	106694	107862	56606	198507	210604	320422	271996	143722	115526	125086	97101	222620	52680	123495	99269	93451	108205	105960	121513	95411	403422	102093	162269	89586	68731	194699	105260	71481	2628	0	0	163847	105657	0	118808	101082	140153	148062	110047	0	217945	141238	66202	120557	98875	48250	125204	119541	217708	154243	54073	169300	95361	64965	187336	418017	283414	107483	95746	93258	59154	91958	0	83001	134064	63059	123120	95107	77392	114668	146931	91803	118355	62080	89010	74578	120290	145935	165650	84660	148265	0	133546	130670	103293	123047	129545	109364	67196	128558	84825	113813	113748	0	81473	233536	Phytochemical	0.37037036	1.2592592	0.0
12	C27 H34 O10	519.2225	519.2233	0.11979362	519.22253	19784	21230	20489	18358	4179	5325	17243	28254	6168	20103	10806	15031	6211	5518	12651	17363	24336	5437	12270	25074	15015	16701	18521	24462	10041	15213	21626	0	16123	21137	15500	19913	16174	10662	21699	15318	15738	16627	29054	13471	19406	9061	0	0	0	14141	22680	0	21303	22414	17559	21400	8577	0	10502	8042	6591	22335	12663	15938	0	10077	10130	6315	5176	6519	8787	27750	0	15910	24516	12512	16924	24971	20735	19542	0	12392	22130	0	20178	11610	12720	8158	12546	8330	19386	5469	7230	41303	15264	16342	19383	9804	14265	0	16437	16507	11352	9898	9277	24900	12493	26168	0	15582	7738	0	16773	10099	Phytochemical	0.37037036	1.2592592	0.0
16	C27 H34 O10	519.2225	519.2232	0.044756874	519.2225	161228	170359	149697	157362	101917	77101	107894	166846	120708	219270	154946	116444	123185	55258	138992	176359	142131	99959	144299	250514	219219	151315	142400	174793	116082	208869	107742	120893	136639	145975	143714	160526	161595	108791	227075	152630	150235	124853	165335	148097	167343	82925	2593	0	279	136064	131997	0	156027	151777	150026	150819	91788	582	134256	96024	67353	163994	128353	121236	215648	93641	142546	102399	68449	103495	99382	158917	174452	250914	267422	132100	124748	140968	147142	155984	0	106952	191445	106621	145907	112851	127521	125866	135351	80398	167675	69692	89700	211690	141767	143110	198017	95744	130473	1060	166659	161193	99477	120084	125614	152525	89497	161817	91163	166687	107861	517	146259	132197	Phytochemical	0.37037036	1.2592592	0.0
18	C27 H34 O10	519.2225	519.2232	0.102600664	519.22253	347098	355822	301282	315266	243696	171410	204282	340606	251769	594231	369490	206572	290658	148823	266706	355516	229393	281057	353171	611746	543849	318262	286969	358031	230703	524158	206413	300809	313301	257015	273031	304897	332558	284039	597652	302091	326634	227944	244816	375620	341128	169862	6340	580	312	290163	239457	471	328371	261363	334827	325348	217885	668	369180	240275	166270	348353	247241	188340	315337	239383	332984	262010	136570	270002	203838	277175	410047	631142	644480	265715	245063	275703	256982	311274	0	217495	369029	174790	313701	220749	238171	270022	285852	189962	324854	156958	205948	286715	298080	321405	410728	178927	284271	1661	329613	299153	220846	243309	249525	326305	202011	311333	177041	250679	203099	670	258923	294604	Phytochemical	0.37037036	1.2592592	0.0
26	C27 H34 O10	519.2225	519.2232	0.052925516	519.2225	53565	47496	49789	46233	52535	31286	16690	36253	63404	107286	49210	20464	91904	29707	32084	45137	20918	66635	69858	91643	101398	42052	41253	43655	32999	84681	12609	42414	28616	22196	33865	30859	39899	27665	126976	32040	51245	28388	21648	58991	35125	26340	0	0	0	47793	33529	0	38826	29810	52417	51647	37086	0	76824	53868	27220	37713	25822	13866	44012	38813	71617	52701	19322	53397	28679	20523	86562	139943	117308	32825	29049	29501	16796	26982	0	22622	48375	20025	40862	25909	25072	39006	59962	27114	37875	22649	23162	24050	37128	39773	45029	27324	47511	0	37612	48912	38902	53124	53369	35012	19968	43145	25126	28401	40691	0	25454	77279	Phytochemical	0.37037036	1.2592592	0.0
20	C27 H34 O10	519.2225	519.2232	0.11318853	519.22253	460539	464770	445697	416188	386512	273031	242997	432416	460996	997436	485493	254129	509410	249721	374046	418810	244463	447962	522247	958727	846082	474450	371972	474957	318774	717816	225772	471077	382653	364111	353135	366953	422235	329792	1150803	352870	443712	316712	264295	571145	392480	238897	9798	1909	878	451504	353558	1480	389825	360016	435507	461707	302217	1258	507417	340500	231771	422222	372329	207769	390085	373172	509352	408031	206833	401521	285933	266638	568261	1140086	855607	356340	346605	372699	275843	348327	473	283882	468944	225828	351708	273852	310754	462351	407256	256542	404520	224474	268296	305646	449637	442449	514884	269392	370816	3771	440197	451154	331731	337890	338643	384101	269488	436959	286177	382211	313424	1754	297182	524116	Phytochemical	0.37037036	1.2592592	0.0
14	C27 H34 O10	519.2225	519.22327	0.052988984	519.2225	71613	61594	59276	66785	33491	23141	55156	69373	33800	82086	58221	59779	36875	17998	46771	80430	77044	35250	52397	77848	74144	63795	55179	77803	48324	63070	54899	50189	56057	58066	53529	64932	53740	39245	74474	60835	56096	52932	83829	57624	74247	32282	0	0	0	52128	70221	0	64896	65444	65248	66260	35911	0	47148	32701	29094	67260	54061	69300	69495	37382	37975	46121	22768	37110	25845	82831	61291	81394	83879	38231	49645	61753	68780	64001	0	46285	70974	49064	65216	46503	54235	40499	42703	29755	72930	26878	36629	93886	56400	53488	79332	37123	34693	0	73477	62507	34179	49668	45288	70172	40474	70062	49824	57388	35614	0	65237	36018	Phytochemical	0.37037036	1.2592592	0.0
22	C27 H34 O10	519.2225	519.2232	0.1225201	519.22253	362576	349071	329802	343808	325377	273772	159205	322458	384493	873290	357193	165560	408608	205462	308753	273171	143294	442045	398968	753418	659501	358012	290180	336884	277234	544396	139095	331558	308962	244564	285283	306083	323867	244885	922354	280929	354337	230549	159710	461179	258903	190785	7821	0	552	384625	240807	0	279403	245466	330658	351614	245046	950	462315	291548	180119	300187	295120	126887	292992	294539	450565	339763	155721	332596	215537	161398	412429	948832	656038	284366	232370	255160	154506	241048	524	231579	334604	164976	270259	224067	207843	276521	321918	215399	277353	163082	212551	193229	328483	383040	386221	188702	332763	0	309507	338625	271925	274554	247330	283872	184001	312948	232883	266267	256901	0	199474	521679	Phytochemical	0.37037036	1.2592592	0.0
8	C21 H34 O11 N4	519.2297	519.23035	0.22184184	519.2298	5669	7939	6392	5465	0	2084	0	0	922	1377	4103	0	0	0	639	0	0	0	0	0	0	2962	0	0	0	0	927	22579	870	0	0	0	0	0	2568	0	0	734	0	0	0	0	0	0	0	0	0	0	1208	0	8697	5654	0	0	0	0	0	1237	0	0	0	0	0	0	0	0	707	0	0	0	0	0	0	0	0	0	0	730	0	14064	0	0	0	0	0	0	848	0	0	0	866590	278743	1888	6799	8560	0	7475	6426	0	0	0	1507	0	0	0	0	0	0	0	0	Peptide	0.52380955	1.6190476	0.1904762
10	C21 H34 O11 N4	519.2297	519.23047	0.31477252	519.22986	4162	3162	3497	0	0	0	0	0	0	0	0	0	973	0	0	0	0	0	0	0	0	1589	0	0	0	0	0	19330	0	0	0	0	0	0	2044	1800	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4601	2306	0	0	0	0	0	1219	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1165	0	0	0	0	573	0	0	0	0	394899	136393	0	3902	3415	0	5108	3413	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.52380955	1.6190476	0.1904762
4	C21 H34 O11 N4	519.2297	519.23083	0.47622418	519.2299	1625	1315	954	2723	0	2483	582	0	660	0	0	288	1097	848	601	646	1151	605	501	0	0	1323	0	0	0	0	0	4950	858	0	0	1379	889	0	904	597	1210	0	2112	0	0	460	0	0	0	0	0	0	0	0	1214	1710	0	0	411	0	0	1158	0	0	0	0	582	302	0	708	598	1221	0	0	0	487	0	895	0	491	0	292	0	8499	0	0	0	0	0	0	579	0	429	973	142586	38111	1414	3591	2399	0	1869	2122	0	0	0	836	519	0	0	798	536	0	416	1165	Peptide	0.52380955	1.6190476	0.1904762
14	C26 H34 O9 N2	519.2337	519.23444	0.11841582	519.23376	25943	24933	19273	23171	10890	8510	18640	28258	10451	29838	14746	16179	9030	5167	22652	26539	14508	10153	17608	35187	34829	35906	24384	29440	24483	9776	18228	16709	31785	25727	24065	30756	33796	25270	32292	28049	27991	19679	21517	31172	17689	14158	0	0	0	26318	18867	0	29335	24901	22666	25603	7292	0	13200	6274	6052	27811	24354	10131	34124	19314	7319	6692	6654	14360	14230	15609	0	19558	8398	27172	29991	28385	18818	23355	0	18102	21125	15835	21241	15497	23795	24554	5087	10346	22246	11055	15092	33211	34324	31543	52959	18814	28589	0	22503	20049	4529	6852	6453	29810	16470	37593	20358	28381	4961	0	19518	9403	Phytochemical	0.34615386	1.3076923	0.07692308
10	C26 H34 O9 N2	519.2337	519.2347	0.2015301	519.2338	18240	15300	22880	21864	9302	10358	20776	25216	10980	31628	10916	13708	15730	0	17858	29276	12798	11428	21544	37894	41148	39138	15280	24206	24460	11070	7486	12776	23298	19878	20230	28872	31664	22462	50854	21500	37456	16480	24824	38476	23102	13492	0	0	0	26858	15332	0	32560	22278	27046	20918	13328	0	12486	7094	8642	30204	5018	7398	18830	17432	8248	8174	5148	11168	11948	16744	0	20268	17968	20314	26628	17862	12042	19488	0	15726	18714	19064	15348	13594	9985	20820	7318	7036	20010	10596	13454	35086	19558	25460	59060	27524	32912	0	27914	25876	5558	6412	5768	21850	15296	32550	0	21896	4902	0	14428	10634	Phytochemical	0.34615386	1.3076923	0.07692308
12	C26 H34 O9 N2	519.2337	519.23456	0.14323449	519.23376	11082	17842	11602	13185	5397	6810	11136	23646	7076	20766	9901	7545	5146	4165	12745	10888	12884	8951	8651	24270	26904	23763	12821	15181	18872	9584	8918	12450	14190	13078	18269	13309	26702	16341	31997	14664	15920	12963	14653	24623	15579	7671	0	0	0	17092	11283	0	19501	11275	15785	13963	8121	0	10464	4929	6513	18369	6287	9760	0	16014	8631	6648	3676	6800	8553	16221	0	19885	10567	17030	9495	10985	10640	14444	0	9895	12027	0	9577	7755	11415	13637	4739	4228	10521	7061	9784	28324	13832	15936	26275	11050	15753	0	13519	7898	4339	4095	4082	15905	8017	17374	0	19776	5556	0	14310	7877	Phytochemical	0.34615386	1.3076923	0.07692308
18	C26 H34 O9 N2	519.2337	519.2344	0.022013146	519.2337	26898	30588	30545	28947	12580	17144	24738	34357	10607	34802	12086	16973	18557	9397	27848	36190	20251	22142	23036	39150	28410	33424	26580	35372	28287	6542	19894	17553	32366	22376	32801	35934	42430	38186	43650	32409	45672	20480	21733	41732	16917	16377	348	0	0	32270	15094	0	40736	23866	33258	26136	13556	0	17775	13491	12786	35661	30911	16929	31680	20424	19342	11922	7388	15068	16395	23729	6273	23022	7695	29101	23312	22145	21098	27769	0	24859	25882	16019	21910	19629	32083	18897	6431	13236	27975	13230	15566	27668	52683	55759	73017	16176	28489	0	23675	28744	8862	12802	10698	47166	18549	40070	15341	35319	11136	0	26941	17693	Phytochemical	0.34615386	1.3076923	0.07692308
16	C26 H34 O9 N2	519.2337	519.2345	0.07522195	519.23376	27547	25280	26376	23986	8059	11091	23181	39351	12400	37415	17718	18664	13448	9926	25940	30273	24136	13776	17409	38866	33161	40761	23437	33768	28773	10995	19256	15513	34004	20624	25871	34244	35544	28129	38075	35893	42056	24904	22864	35812	22757	14463	0	0	0	19830	14051	0	34551	20757	34934	24225	15001	0	12644	7554	13827	35687	29029	15938	32792	21524	11567	12354	10459	12339	16976	21979	7044	26515	9942	26053	26765	24350	26793	28329	0	17289	21670	15201	18950	18296	28212	22178	9024	11704	25622	15128	12864	32839	49177	50712	70995	21024	33817	0	25518	26550	10962	9260	9957	37770	16491	35173	14503	29775	10503	0	30525	18506	Phytochemical	0.34615386	1.3076923	0.07692308
20	C26 H34 O9 N2	519.2337	519.23444	0.10667621	519.23376	15013	19105	15227	20050	8220	17578	15014	26610	8704	17132	6306	10836	6030	8641	20280	18319	10224	11353	16535	19788	18240	17742	16844	26301	22360	5581	9055	8554	29839	17300	17376	18149	29195	18408	30318	20103	35939	14197	14825	21506	11955	10616	523	0	0	20582	7087	0	22834	17677	19329	18122	12143	0	15697	10689	6724	26179	31929	6601	25051	14481	10650	7966	5798	9339	10538	19483	4758	19328	6663	20487	20021	16819	12418	14954	0	17971	13696	7939	14801	10197	20627	11445	4323	9986	14866	11627	15681	14733	41835	45902	35699	11625	21607	0	14758	15341	6017	5979	6391	22769	11210	22346	7223	25565	5326	0	21091	15354	Phytochemical	0.34615386	1.3076923	0.07692308
22	C31 H34 O7	519.23773	519.2384	0.019781208	519.23773	15737	19830	13802	14295	15212	8584	9492	18836	15348	12936	27750	10625	8943	9993	11047	21642	16221	15128	14075	24881	23658	12456	14580	14170	15927	65376	9813	25347	9362	13594	10415	11023	17489	8782	23325	13554	12073	10362	19544	23093	30918	7294	0	0	0	12189	13172	0	15452	15988	14538	18845	11918	0	13951	12385	12154	12690	9246	11188	16382	12078	10630	8426	8266	14334	11734	17482	51508	56959	78002	7040	14785	9605	10842	13040	0	10625	24801	9798	17088	11267	12228	16917	16168	9584	25792	12204	12499	21418	14976	17722	20221	12450	12453	0	15128	15364	12563	15777	15889	22175	12440	21337	9395	15197	12762	0	15362	8982	Phytochemical	0.22580644	1.0967742	0.0
20	C31 H34 O7	519.23773	519.23846	0.043374255	519.23773	6318	4749	6933	4086	2656	1927	3725	6026	3580	3887	7592	7702	3495	4970	4296	5171	10506	2647	2773	8799	10057	4002	6595	8341	6096	15799	5722	7810	3368	5711	5563	6907	5184	3265	9309	4291	5998	3507	6737	8457	10661	5010	0	0	0	7190	5053	0	4898	5871	6110	8296	2407	0	2015	4406	4278	9073	4219	8166	7513	4139	2586	6128	3714	4254	3495	13121	15826	16751	35420	1761	3166	6007	9701	6003	0	4467	11189	3550	8490	4050	5223	11391	5050	3984	15339	4234	3215	12149	11785	6754	11205	5717	4555	0	7134	4611	4555	6479	5465	7340	6845	5248	3564	7318	4240	0	6311	3899	Phytochemical	0.22580644	1.0967742	0.0
24	C31 H34 O7	519.23773	519.2384	0.012209952	519.23773	19909	21604	20165	18752	19575	12969	9870	18606	22364	24753	43353	11835	18428	17847	14369	20614	17212	15426	28668	36778	33386	20124	15123	20729	15475	107362	10574	42246	15255	13701	14615	21037	17805	13160	30174	17793	18012	12381	19182	37109	44665	14827	0	0	0	22634	20076	0	19620	13278	19810	22616	16002	0	18175	21824	13480	18079	18187	13052	24261	25195	13765	16809	10998	19209	17297	20590	105495	79146	119948	11777	15083	11740	12147	17730	0	10295	25606	17086	18831	15363	11150	30079	29950	12056	25931	14777	15292	22535	16386	15979	31483	20995	16835	0	24952	24202	16164	18208	21926	19568	9874	21615	14738	17642	17084	0	18237	16614	Phytochemical	0.22580644	1.0967742	0.0
26	C31 H34 O7	519.23773	519.2384	-0.011620062	519.23773	12104	12708	11058	12955	11108	5395	4167	9719	11650	14600	23622	5192	15186	5041	9493	8489	9040	6732	17426	27879	22630	9661	8944	9971	12798	71473	6334	26425	9843	12221	11051	0	11503	8473	17536	11764	10694	6556	7546	21614	28863	9088	0	0	0	13870	14338	0	10407	9916	16552	9869	8375	0	10327	17205	8277	9926	10933	6200	11979	18383	12257	8353	4527	10790	12571	8848	79472	41889	64433	10486	9134	0	0	6007	0	5387	17172	11453	14512	8735	8593	25280	20047	10006	17575	8159	7226	9836	11328	9682	15752	11039	9386	0	11135	15706	11560	19877	20433	11608	5168	10598	7897	9553	13466	0	10999	8787	Phytochemical	0.22580644	1.0967742	0.0
2	C28 H38 O7 S1	519.2411	519.2416	-0.23659799	519.24097	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29697	0	0	0	0	0	0	0	0	0	0	3191	1824	0	867	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.25	1.3571428	0.0
10	C25 H34 O8 N4	519.24493	519.2457	0.32846868	519.2451	2429	3397	3272	1715	1220	1355	950	4406	0	0	0	1613	1167	0	1816	2462	0	1129	2209	0	1312	4352	1768	5367	3589	0	2163	0	2037	2023	3019	2379	3614	2231	2565	1888	3338	1648	3292	0	975	1270	0	0	0	2272	0	0	1935	1999	2561	1356	840	0	0	0	867	4657	0	0	0	0	0	1395	0	0	1094	1774	0	0	0	2229	1922	3493	1641	3112	0	2161	1341	0	1696	985	1522	1410	0	0	2116	1020	2047	3626	22338	7946	5666	1701	0	0	2657	0	0	0	800	3959	2431	0	0	3975	895	0	2601	0	Peptide	0.32	1.36	0.16
22	C28 H38 O9	519.25885	519.2596	0.09702755	519.2589	435974	465570	398906	423275	436690	301372	271923	439058	494150	720139	430852	236617	425738	242603	378201	429242	267834	466575	544365	751284	694829	408454	388251	423161	377076	680053	243576	436782	418059	371949	374377	421588	475447	336648	828645	389822	490487	327019	294477	480198	317355	256248	6898	0	0	369342	251575	0	396654	373178	425866	416929	357371	1609	599552	428137	253416	441582	356902	206613	427560	313744	538110	453193	220181	401490	279804	289774	537307	1031837	808070	340023	306552	362258	277211	354058	321	298246	485406	208637	386582	241388	328631	312874	481430	321786	450180	233271	281775	316357	465574	519200	502672	237356	357336	0	399491	426209	349717	428005	413530	473344	269087	457169	238313	367408	381055	0	300576	539426	Lipid	0.32142857	1.3571428	0.0
18	C28 H38 O9	519.25885	519.2596	0.019332018	519.25885	155525	153317	139702	129179	118016	72277	120540	147392	108419	124442	104763	95326	115631	69310	130059	173791	142797	104274	147220	171008	152122	109776	120967	167364	106596	148326	114251	109341	151542	132565	135226	162487	132791	109071	150545	152220	136587	120310	169561	110846	109555	77416	2771	306	0	105467	99907	0	150338	134658	146028	136696	94454	314	155395	120664	84174	154879	102219	94195	145817	68180	130003	122353	67961	116805	94352	180428	127522	172276	208901	92107	96847	132456	151249	144800	0	94307	178518	80547	143218	86417	104405	80289	170488	95285	187760	66954	84888	168271	122079	144082	172101	69757	95599	699	145767	132592	105006	152062	163750	161657	94179	138658	57891	118669	110698	398	134950	119237	Lipid	0.32142857	1.3571428	0.0
14	C28 H38 O9	519.25885	519.25964	0.093472585	519.2589	16227	14701	12116	13428	5929	4570	18546	18889	7380	4633	5703	10437	6842	4368	13057	21250	22747	3601	10859	12491	6627	11993	15270	17599	10680	6259	18710	0	12094	14203	12487	11864	14044	6747	11214	16784	13818	13709	30357	7038	12695	6977	0	0	0	7639	6935	0	16764	12817	16186	13287	6818	0	13587	9602	11857	22551	8739	13071	0	6251	7861	9614	5526	7595	4610	29937	0	5065	15151	8476	10377	17331	21704	11048	0	10999	24500	0	19818	8352	13314	5608	13940	6090	20288	3251	5318	29165	9444	11113	17245	6370	8846	0	11950	15306	8493	17123	18349	13778	8955	16553	0	12203	14579	0	13611	5602	Lipid	0.32142857	1.3571428	0.0
28	C28 H38 O9	519.25885	519.2596	0.048021477	519.2589	25385	21257	20913	21465	32917	14121	13830	19611	24838	42038	22543	10990	39677	16157	14524	20376	15977	25251	37534	39434	38116	22004	18654	19977	16344	51592	11756	24819	23105	18892	18399	14155	26249	14112	46525	16827	24891	12199	14641	24123	21093	12210	0	0	0	16890	12687	0	20658	18174	24092	21889	22216	0	34602	25887	11405	22245	12507	8438	19792	14164	36198	25660	13297	28554	17522	15081	46218	72334	70896	12278	12023	15403	11368	11620	0	9960	27161	12736	18851	12476	14888	19390	32479	16985	27866	10536	14976	14359	25249	20789	24815	14452	17673	0	22022	21923	18589	35486	35303	22824	10074	24562	11112	20843	22573	0	13707	28399	Lipid	0.32142857	1.3571428	0.0
24	C28 H38 O9	519.25885	519.2595	0.09169088	519.2589	327106	337010	311375	321238	337059	238346	166887	309399	377527	610071	326426	149868	436074	186821	269171	281767	154014	407997	519132	664226	569307	311136	270328	310928	252573	494503	147127	337367	301276	241653	248343	281656	335300	228404	804484	280400	407971	219866	182803	397344	225200	179432	6655	0	0	285461	187839	0	301572	243790	325230	306077	269462	0	519165	315515	167946	328387	286995	121088	315639	256599	463059	346931	143536	337310	206645	178239	410287	913201	585544	266660	245905	262597	162605	235876	0	213960	350343	146011	276201	175112	219812	238652	345810	219914	288043	154969	212580	195046	369675	381919	414262	183225	283699	0	314579	332834	229988	309051	304745	321686	161849	348291	176089	270970	272073	0	202802	441563	Lipid	0.32142857	1.3571428	0.0
26	C28 H38 O9	519.25885	519.2596	0.07071688	519.2589	109899	99626	111201	93215	117043	73443	53024	119637	137863	175211	101955	51789	170293	77618	95465	96885	60596	152008	191459	219355	194810	116733	95716	115885	86036	201568	47819	107370	101937	90809	92472	98056	121188	79316	253073	106433	143318	74048	57497	134488	76405	69353	0	0	0	105458	73782	0	97588	85095	109240	98235	99962	0	174270	132550	63207	106076	92205	43863	104070	80000	164442	117998	48554	118086	80704	64244	182881	298621	229134	94459	83063	95971	59412	82655	0	67863	120755	58980	90048	60165	75403	79950	145421	95741	103812	55263	69685	69836	115479	136870	151099	64584	99675	0	101720	120441	79513	128423	132492	127588	54291	121975	63669	89472	99679	0	71496	149317	Lipid	0.32142857	1.3571428	0.0
6	C22 H38 O10 N4	519.26605	519.267	0.4584787	519.2663	907	766	685	1164	0	3062	0	0	0	0	1463	0	0	0	0	0	0	0	0	0	0	0	0	0	488	0	0	5371	0	0	0	0	1031	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1089	0	0	0	0	0	0	2855	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	563	0	0	0	0	0	0	0	0	0	0	0	69937	47088	0	2020	0	0	0	730	0	0	0	0	440	0	19262	0	0	0	0	0	Peptide	0.45454547	1.7272727	0.18181819
8	C22 H38 O10 N4	519.26605	519.26685	0.34514895	519.26624	0	2491	0	2503	0	3999	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14341	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1055	1883	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8724	0	0	0	0	0	0	0	0	0	0	196371	134883	0	2097	0	0	1992	927	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.7272727	0.18181819
24	C32 H38 O6	519.2741	519.2747	-0.010921836	519.2741	20109	17182	12726	16255	9991	6201	12712	17095	10742	8345	24173	10891	8450	9319	15501	21821	30993	5059	10951	16480	14013	9056	12300	23477	14929	51781	12562	16173	17524	23145	14662	17943	17612	14033	17643	27727	21521	14614	25759	21816	30923	9774	0	0	0	11080	12805	0	16560	16576	18828	16295	10704	0	15434	12814	10231	21212	13167	14949	25982	12794	10266	9074	7045	10142	10115	27024	38426	25228	47407	11448	17591	16492	14251	19161	0	13216	27033	15406	20085	8962	18313	14754	16357	8422	26903	8849	12337	28916	15106	14543	22334	12297	12447	0	14379	16344	9101	18551	20152	24243	12636	26214	12464	19930	16409	0	18332	7671	Phytochemical	0.1875	1.1875	0.0
22	C32 H38 O6	519.2741	519.2748	0.019365175	519.2741	7641	8628	10311	6653	3121	0	11718	6696	1761	2407	7786	9453	2260	0	7658	10862	17313	4116	3785	8083	5232	3627	8211	10850	9280	20767	9445	6943	11149	7961	5564	6227	9286	4721	4790	9570	10358	7419	19263	5703	11554	3946	0	0	0	7031	6166	0	8791	9260	6250	7894	4782	0	4180	7624	4517	10401	4499	9595	7295	4281	1435	5896	3686	3408	5601	23103	10123	11442	15670	4376	5336	8713	13749	8971	0	5174	12775	5479	9754	4338	11510	6988	5918	5230	7603	4246	5575	19360	5074	4425	14442	5040	5159	0	5193	6583	3818	6499	6508	13872	8046	11643	1558	11480	4379	0	11486	0	Phytochemical	0.1875	1.1875	0.0
26	C32 H38 O6	519.2741	519.2748	0.015739704	519.2741	17860	16630	18284	15581	10423	3731	8767	17300	11841	10971	28090	9487	8690	9201	16144	19519	23474	0	16736	16954	16627	12497	13212	21034	15633	66595	9418	24646	15165	17227	13025	17489	18383	13219	13745	20734	19410	10994	16674	22685	26389	7653	0	0	0	14497	9100	0	15222	16410	15822	16296	11401	0	18565	16892	12618	16807	11553	10961	17105	13745	9537	9662	9004	8180	12416	21175	57960	33511	41930	10368	15807	15336	10351	15884	0	11826	21017	11417	15066	9413	12746	23965	19391	10144	22262	12991	9661	21732	11725	9319	22219	11120	0	0	15349	17418	9719	21210	26964	23885	8819	21021	7298	14743	11279	0	17884	8077	Phytochemical	0.1875	1.1875	0.0
2	C29 H42 O6 S1	519.27747	519.27814	0.02650891	519.2775	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29406	0	0	0	0	0	0	0	0	0	0	2666	2147	0	834	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.20689656	1.4482758	0.0
6	C31 H38 O5 N2	519.28534	519.2859	0.48093387	519.2856	0	1299	946	671	0	1678	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42540	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	802	1395	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	117291	0	0	0	0	0	0	0	0	0	0	140876	49724	0	10491	0	0	0	982	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.16129032	1.2258065	0.06451613
26	C29 H42 O8	519.2952	519.29596	0.07313436	519.2953	158857	141115	152142	144003	200630	103311	116677	181301	200385	170278	143703	78991	205149	121165	162985	175971	112256	191076	311479	282419	218502	145373	146580	166706	170021	220275	111768	178117	192370	173002	148003	168772	217746	120894	251508	195609	229776	129449	123329	178507	108998	123758	0	0	0	137422	83364	0	158953	158285	170609	156765	153303	0	301982	227994	117474	173114	158842	78823	167642	104846	208075	189743	88154	170867	153196	134130	202311	301253	210876	124196	126353	179229	117274	140218	0	112327	184772	99515	130802	93660	155633	128222	246602	171938	183011	93477	133798	121615	193160	221253	213585	104384	146574	0	157822	177803	131485	235406	249320	233333	87598	203007	104115	129840	211284	0	130046	179816	Lipid	0.27586207	1.4482758	0.0
20	C29 H42 O8	519.2952	519.2959	-0.003928314	519.2952	74047	70025	69219	67243	64106	44301	74593	61231	70833	35662	42542	51570	68553	52419	69239	86952	114482	54565	92500	50144	54843	43259	52737	62343	58745	48814	74957	43842	74580	67456	56781	71688	70834	38234	40765	75081	81716	63332	108463	31427	43487	42046	979	0	0	28532	44126	0	66294	58198	72372	66891	57374	0	93526	75279	48535	83530	44452	57269	71455	22299	74817	76275	49031	65587	55863	123559	36610	50741	68226	31830	52368	66902	106855	59012	0	48128	107310	38985	66211	28127	58877	43270	121287	64614	97426	30893	48345	112767	62151	59826	76710	35070	43990	0	71626	72793	63175	116410	124851	85319	50600	70187	28654	70677	87652	0	66536	60106	Lipid	0.27586207	1.4482758	0.0
18	C29 H42 O8	519.2952	519.29596	0.049412332	519.2953	24485	23687	13967	19819	12621	7720	25973	22685	19522	3068	8268	12316	14454	9573	19261	28587	48689	8935	24411	10725	4995	4834	18854	22385	19016	7378	29910	9235	26785	25424	17579	25858	22233	7754	8834	23965	18024	19178	54577	2121	6551	10529	0	0	0	11431	11409	0	23434	19210	20477	19120	14260	0	36805	28891	18279	26956	12983	19344	22344	4342	20705	19409	12590	17039	14379	58789	5065	5414	9374	6696	9896	21394	38152	22551	0	15289	31114	12325	26806	8528	18493	5631	43108	19024	31472	11808	10591	42512	13881	21325	22376	6383	13272	0	20737	17742	14463	36949	46688	26172	10651	16054	9060	20952	22826	0	22232	10879	Lipid	0.27586207	1.4482758	0.0
28	C29 H42 O8	519.2952	519.2959	0.04820431	519.2953	28835	25894	33320	25960	38669	15361	31747	30322	34375	29412	26891	12988	39850	19378	21995	29583	24830	25159	54250	36537	32646	26845	25691	25289	34506	44873	30883	33044	34345	30780	28330	29270	40902	24410	43768	37448	38100	22149	28769	27970	22069	22716	1138	0	0	22311	12641	0	30038	23960	31142	27783	30853	0	54790	40547	18493	35208	28163	13618	35066	20278	40543	35716	17259	33016	25692	27194	39945	55306	45636	19266	19887	28218	14588	24331	0	19208	37609	21103	25424	17595	28581	22791	57584	27595	44651	14390	23225	31232	36873	40719	36184	21026	19921	0	30467	28665	24419	51775	59420	43941	12370	40182	19977	30930	37237	0	27168	34477	Lipid	0.27586207	1.4482758	0.0
16	C28 H42 O7 N2	519.30646	519.3076	0.54065406	519.30676	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1721	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2343	1848	0	0	0	0	0	0	11356	8595	0	0	0	0	0	0	0	0	0	0	0	0	1813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1568	0	25651	13113	0	0	0	0	0	Lipid	0.25	1.5	0.071428575
20	C30 H46 O7	519.3316	519.33234	0.14681554	519.3317	5968	4572	4568	4827	2706	1652	10391	3552	3057	0	0	2796	3595	8476	3195	7137	17824	1851	6037	0	0	0	1355	0	5914	0	13447	0	5384	3838	2750	5238	3759	1779	0	5705	5038	4436	21983	0	0	4348	0	0	0	0	2181	0	4905	4006	3339	4632	4395	0	5979	9515	2834	4051	1838	2561	2794	0	2554	3758	6369	5065	11350	18066	0	0	0	0	0	2062	13307	3344	0	2559	8859	2956	3188	1440	3297	0	14556	8850	9114	1658	2534	16413	6357	0	6636	1724	0	0	0	2185	7285	16458	18464	6296	3056	4079	0	3474	11368	0	6943	4279	Lipid	0.23333333	1.5333333	0.0
22	C30 H46 O7	519.3316	519.3323	-0.01952679	519.3316	21912	21565	19996	20519	28039	13773	34578	21640	22652	4291	9651	13852	13288	24468	21628	32371	57854	16782	36162	4882	4667	13977	16038	13462	24599	4572	36860	11030	20033	22307	14124	22986	21837	13675	2700	28718	19426	23365	61957	5718	10452	17279	0	0	0	6639	10477	0	26127	17065	22375	19551	19128	0	34642	26598	21767	32682	9227	20862	23983	1755	19165	18062	25192	18702	25721	71474	4269	2520	5147	6269	12364	20935	42485	17886	0	16479	34226	18110	20568	6215	22343	9199	55736	30804	42289	15836	17834	53802	20191	20715	22635	7224	12015	0	22676	23615	21475	53126	55341	37677	14575	16367	5751	26138	37166	0	25634	12031	Lipid	0.23333333	1.5333333	0.0
26	C31 H50 O6	519.36804	519.3685	-0.06416955	519.368	2414	4232	5712	4873	2952	0	52240	0	2043	0	3181	0	0	6817	0	0	8991	0	8432	0	0	0	0	0	8878	0	41978	6752	7276	10846	3387	9506	18730	3627	0	12026	16174	5650	13614	0	0	0	0	0	0	0	0	0	3606	0	5025	4494	0	0	5822	0	4657	8898	2759	3464	8012	0	1933	0	9564	2147	4184	14098	0	0	1670	0	2702	9796	0	4817	0	3597	6915	5345	2448	0	7915	3800	10435	7553	14152	0	3347	12069	9323	6821	7927	2550	0	0	4886	5878	6419	8646	11472	24565	0	0	0	6664	6558	0	7444	0	Lipid	0.19354838	1.6129032	0.0
28	C31 H50 O6	519.36804	519.36865	0.097579375	519.36804	2324	1121	2248	2366	1869	1483	36310	2387	2676	0	2138	0	0	4154	3273	0	2617	0	3133	0	0	0	0	0	8251	0	23163	4963	4293	2297	0	3739	3703	2046	0	6357	3585	4495	4376	899	0	2763	0	0	0	0	0	0	2475	2738	1749	2451	1712	0	5581	3819	2571	4026	5235	1642	4505	1762	1212	1556	5129	1703	3879	3836	0	1268	0	1333	1538	5191	0	1591	0	1896	3702	2776	0	1934	4595	3841	10436	4887	11407	0	0	4405	15977	12170	4898	2619	0	0	2892	2282	2534	7215	10790	6505	2595	3012	4675	2556	6667	0	4766	0	Lipid	0.19354838	1.6129032	0.0
28	C22 H17 O14 N1	520.0722	520.07294	0.17766218	520.07227	4308	3787	4082	5256	10994	5322	1067	0	11627	5947	1052	1254	22703	4399	0	0	0	14212	14199	0	8382	12006	0	0	0	0	0	0	0	0	0	0	1737	0	6358	0	976	1074	0	1998	5232	0	0	0	0	4880	18912	0	0	0	4412	6296	6525	0	15157	8741	2661	0	0	0	0	4382	23994	13459	2579	12365	3961	1857	0	1455	1704	0	0	0	0	0	0	0	5158	7112	2541	6470	0	0	15788	3979	3514	2753	3764	1699	0	1792	1929	11230	10268	0	6533	5892	6213	9085	10734	0	0	0	12133	1529	10110	0	0	22045	Phytochemical	0.6363636	0.77272725	0.045454547
26	C22 H17 O14 N1	520.0722	520.0728	0.07586558	520.0722	4521	3485	2973	4612	9826	6813	0	0	10237	3095	0	0	22288	4142	0	0	0	14340	7628	0	4975	11785	0	0	0	0	0	0	0	0	0	0	2347	0	3752	0	0	0	0	0	4577	0	0	0	0	0	21114	0	0	0	2871	4320	4794	0	11947	10501	3532	0	0	0	0	0	20950	14750	0	11959	0	0	0	0	0	0	0	0	0	0	0	0	5364	5651	4225	5709	0	0	12357	0	1591	3086	4165	0	1416	0	0	11087	10520	0	4440	0	6087	10114	12509	0	0	0	9309	0	6612	0	0	21274	Phytochemical	0.6363636	0.77272725	0.045454547
16	C23 H21 O13 N1	520.1086	520.10944	0.24723627	520.1087	26051	25233	19016	19540	34166	16577	3719	3354	44667	48295	28570	5787	63105	10447	5576	5537	3290	47056	39560	50519	66710	80717	10834	7310	2005	4438	4092	6192	3482	2755	4486	0	6771	1511	79398	2963	8033	4749	3221	28800	43142	11319	1186	0	0	64782	95887	0	6258	2707	21318	20439	17340	0	47522	39723	12169	7042	4944	6494	9066	30624	81250	37435	16712	35853	14801	3195	20848	8784	16951	4208	2751	0	2132	3888	0	4819	17182	58886	10168	56580	3435	11604	46337	20132	12920	13339	12373	0	9116	12155	0	79667	86016	0	28773	22034	27673	30407	42002	7337	3594	5520	63813	13742	31128	0	4579	59588	Phytochemical	0.5652174	0.9130435	0.04347826
28	C23 H21 O13 N1	520.1086	520.1092	0.053161368	520.1086	5020	3400	4584	6094	7721	5404	1233	0	9900	14317	4173	2255	16987	3690	2054	3328	2605	12900	12666	11452	13516	13401	3850	2376	2422	2374	2478	1770	0	0	2342	0	2620	2008	14819	0	2446	2442	0	6187	6086	2407	1694	0	0	14210	23931	0	1133	0	6027	4246	6059	0	14264	10094	2392	2469	2650	1572	2278	6485	19167	9686	3951	9978	3829	0	10261	6042	7195	2011	1048	2873	2760	0	0	1176	5064	11211	2827	11881	1561	1980	10929	4862	4055	2707	3256	2373	2899	3116	2824	11602	19627	0	7887	6038	7057	6946	6725	2178	2259	3571	15955	2495	5651	0	1818	17837	Phytochemical	0.5652174	0.9130435	0.04347826
26	C23 H21 O13 N1	520.1086	520.1094	0.10383665	520.10864	5897	4394	7360	7107	9048	6130	0	0	9806	14222	0	0	21686	2660	0	0	0	14092	13666	5145	12755	15686	0	0	0	0	0	0	0	0	0	0	0	0	13167	0	0	0	0	5873	4877	0	0	0	0	15187	27407	0	0	0	7553	4605	6217	0	12497	8381	3614	0	0	0	0	5758	16638	10270	0	8696	3815	0	0	4646	6461	0	0	0	0	0	0	0	4033	6765	3972	14291	0	0	14073	7010	3040	0	3552	0	0	2093	0	20927	25388	0	5785	5046	7906	6715	6365	0	0	0	17160	0	5299	0	0	16340	Phytochemical	0.5652174	0.9130435	0.04347826
24	C23 H21 O13 N1	520.1086	520.1093	0.24245246	520.1087	7631	7612	4488	4264	9910	6397	0	1267	13852	15232	4487	1697	23017	3224	3660	2107	0	21543	9435	7987	14880	22828	3554	3017	2714	0	0	0	0	0	1135	0	1890	0	13435	0	3053	1466	0	4781	7184	1767	0	0	0	20057	35911	0	0	0	6952	4934	7856	0	18371	11144	3959	1185	1233	0	2360	8505	28430	14236	2711	12674	3171	0	3797	2285	1931	1419	0	0	0	0	0	1646	5180	11102	3674	15636	0	3392	18643	6105	3738	2396	3688	0	2274	2649	2735	22795	31863	0	8112	5627	9306	10044	8317	2100	1299	2816	23977	0	11758	0	1934	28791	Phytochemical	0.5652174	0.9130435	0.04347826
14	C23 H21 O13 N1	520.1086	520.1095	0.20587675	520.1087	22046	14873	18415	13913	20568	12098	0	2276	29900	43216	26963	4104	42672	7279	4655	9201	3147	33623	29670	31434	50576	89588	9600	0	3016	4297	2223	8231	2083	1741	0	0	6409	0	63548	2029	6143	4065	3917	25043	47833	7662	0	0	0	37598	94805	0	2864	1975	19128	14480	12428	231	35010	29283	9928	6013	4993	7525	0	27544	59372	32560	10226	30086	7430	3333	0	7911	15291	3465	1117	1260	4154	2084	0	2841	11272	42739	10741	42207	2558	7688	34076	16115	10148	7458	11000	8521	2968	9148	8812	65855	61117	0	15864	17810	25266	30931	28514	7540	2964	0	40244	4576	21525	0	2850	44143	Phytochemical	0.5652174	0.9130435	0.04347826
20	C23 H21 O13 N1	520.1086	520.1093	0.12639478	520.10864	16265	16568	20800	15822	29472	18594	3105	4595	36146	30711	15156	4164	54548	12543	9680	5003	1800	35641	19849	25210	31285	52051	11196	2625	5871	2546	2792	4842	3511	2416	1902	1834	3578	1816	35435	1795	6290	5501	2096	18936	21004	8022	765	0	0	58907	73097	0	2890	2882	18232	14167	18647	335	40587	33698	11240	2970	5681	3565	6014	21100	53741	28435	12938	25408	9118	1293	11115	7346	13630	2732	2330	0	2420	2589	283	2039	13200	36627	6916	44629	2668	0	42509	16003	10646	9040	8375	3304	3896	6447	9025	56310	58272	0	16686	16405	26268	22255	30509	6478	1795	5453	58606	7426	25834	0	4496	51851	Phytochemical	0.5652174	0.9130435	0.04347826
18	C23 H21 O13 N1	520.1086	520.1093	0.11140672	520.10864	21751	22558	24256	23598	30561	17299	5861	4848	33578	45216	21015	3853	93447	13955	11481	5574	5558	45457	50886	46927	54701	80258	12129	8465	5092	4511	3993	7537	4694	2111	3541	2805	8732	0	54160	0	7380	4937	3638	28255	32921	8409	1415	0	0	59142	84726	614	4883	2417	22651	21022	28123	0	45310	43174	16101	5658	7686	5966	9558	31566	64772	41757	14481	36777	17361	3753	10573	9777	18610	2854	4756	0	3511	0	0	3354	18977	47539	13598	51991	3604	9504	45297	23000	15028	11809	18754	10031	4600	10619	13625	73716	81446	0	21838	24131	31598	33659	39531	11112	4922	9853	69727	6888	29179	342	4078	53028	Phytochemical	0.5652174	0.9130435	0.04347826
22	C23 H21 O13 N1	520.1086	520.1094	0.14387055	520.10864	17733	16004	11745	10116	29256	17008	2436	0	26389	33249	10396	1798	49018	11924	7807	2995	2205	38339	20377	22756	29717	47004	12254	2143	2400	2021	2079	4355	1351	0	0	0	4958	2259	23997	0	6033	3898	1861	16162	10333	3765	0	0	0	40726	62646	0	0	1184	20947	13690	15335	236	39586	21431	12220	2395	3866	1687	2427	16779	41270	27919	6944	23981	11019	2234	11448	6336	9027	1190	0	0	1043	1342	521	0	17439	23752	7719	24562	3439	8528	34395	16786	5374	5598	5261	3081	0	5538	3839	46218	56364	0	13266	15845	17075	26137	30409	2611	2276	3350	44194	2416	24478	0	4412	42531	Phytochemical	0.5652174	0.9130435	0.04347826
14	C22 H21 O12 N3	520.1198	520.1207	0.18728592	520.1199	8396	0	10594	8772	22762	6974	0	4268	22424	35714	11238	2351	30017	2976	4836	0	1717	19974	16811	13075	15892	39970	4869	3855	0	2770	5126	0	0	5351	2444	0	6374	0	52086	0	1698	7612	5950	13677	12108	3627	0	0	0	31515	55650	0	2460	1578	15640	9224	9810	0	18415	17195	10555	0	0	0	0	11689	36144	22229	9976	22552	5956	2378	0	4924	6492	0	1990	0	1539	5071	0	6431	10106	0	8324	30268	0	4142	22448	0	10959	0	3346	5038	0	0	5842	44476	34766	0	15214	4502	17413	19864	20275	0	3034	0	0	3553	14739	0	2518	39755	Peptide	0.54545456	0.95454544	0.13636364
26	C20 H25 O15 N1	520.1297	520.13043	-0.0836342	520.12964	2388	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3857	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12399	43180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3857	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27182	0	0	0	0	3488	Phytochemical	0.75	1.25	0.05
28	C20 H25 O15 N1	520.1297	520.1304	0.03620387	520.1297	0	1244	3010	1070	1889	2341	0	0	2280	0	1895	0	0	0	0	0	0	2417	0	3609	7519	3916	0	0	0	0	0	0	0	0	0	0	0	0	2780	0	0	0	0	2821	5007	0	0	0	0	13533	36336	0	0	0	1943	0	1531	0	0	0	0	0	0	0	0	4980	1945	1782	0	0	1596	0	0	0	2707	0	0	0	0	0	0	0	0	5480	0	12562	0	0	0	0	0	0	1486	0	0	0	0	4497	0	0	1924	0	1738	0	0	0	0	0	24580	0	0	0	0	3155	Phytochemical	0.75	1.25	0.05
10	C24 H25 O12 N1	520.14496	520.1459	0.17541005	520.145	17966	21520	16369	14403	14171	7687	5914	9354	18172	51691	27320	6990	27588	5143	4984	10293	6122	13753	17104	31741	37961	39396	9203	8371	2719	12422	5194	10061	6216	6489	4872	6050	10656	4175	65735	3588	5431	0	8117	20140	33659	5779	0	0	0	25706	39717	0	4617	5138	16428	17782	8731	0	20660	12036	6488	9948	10072	7783	0	19852	27023	15237	5956	18548	7305	10455	16100	18605	25725	5324	6617	4965	5649	6662	0	4290	13619	21879	7776	18587	6150	10372	16905	6724	8444	5728	8156	11617	5666	10958	13083	31424	35227	0	18269	15420	12693	16997	12828	8912	5016	10742	17631	5705	12639	0	6886	25133	Phytochemical	0.5	1.0416666	0.041666668
16	C24 H25 O12 N1	520.14496	520.14575	0.10490732	520.145	105997	97286	102570	110456	114624	69661	30789	53996	116347	398946	172680	36520	188246	51602	56873	85766	32843	132886	136628	287333	264082	230354	65443	64757	55679	106257	38269	99059	43474	45348	47977	38445	68730	51836	710034	37749	69099	45612	44966	192162	143483	26123	1643	0	0	277288	281681	0	51250	49915	113326	104928	57266	0	175814	94746	52051	56096	59844	39204	27462	120437	196916	110509	39491	130415	51508	47187	122182	162745	147017	54161	47622	40661	37952	42872	0	37506	78476	148447	65817	221477	49200	118192	112475	59333	64138	37924	50610	30577	68892	95979	46190	203586	288220	0	102463	132725	91660	88719	94838	63326	43769	78753	214961	28476	107153	0	36278	162755	Phytochemical	0.5	1.0416666	0.041666668
18	C24 H25 O12 N1	520.14496	520.1457	0.10432182	520.145	193820	172900	175214	167628	195386	147770	64220	97616	249837	632350	243142	54252	382388	98644	90250	72494	32254	279152	290858	475145	437856	434262	108076	88290	70095	195981	53100	156432	35448	54160	68979	34848	110157	73660	788256	74930	107742	72977	46384	326484	221424	73170	4686	0	0	522722	458006	0	88870	74660	181184	184694	123166	0	290558	184864	83572	79617	67938	45192	91481	235512	390932	193792	78540	192870	116517	47990	180666	310474	265698	62646	61580	54539	36596	59570	0	75005	127400	202472	100424	400456	66132	173762	215372	111296	103463	70648	93574	48436	85504	151076	137922	287696	483871	0	176286	188731	192920	168426	157720	84799	50902	118018	340407	81230	156008	0	59108	334318	Phytochemical	0.5	1.0416666	0.041666668
26	C24 H25 O12 N1	520.14496	520.1457	0.07161085	520.14496	4501	5287	5497	7713	8570	5842	0	0	10400	21766	5418	0	16264	2201	0	0	0	9759	10616	15388	19691	13355	5027	0	0	7186	0	3518	0	0	0	0	1864	0	21588	0	2600	0	0	6830	5666	0	0	0	0	18412	24149	0	0	0	7421	4302	4713	0	10098	7721	3347	2405	0	0	0	6781	15644	7687	2645	8232	2331	0	8105	14873	6413	0	0	0	0	0	0	0	4646	6325	2821	13881	0	6813	9355	0	2219	0	3879	0	1908	3897	0	10213	27964	0	4192	5858	3470	3771	5659	0	0	0	11130	2154	5398	0	0	14603	Phytochemical	0.5	1.0416666	0.041666668
14	C24 H25 O12 N1	520.14496	520.14575	0.0933164	520.145	789706	653564	607417	689911	487267	395153	344674	562185	810897	1180461	681088	348473	936359	262399	508112	432253	380123	771243	834775	895779	1126150	1238689	608884	199584	383485	263602	307664	336065	246695	383499	404156	308390	527372	416187	1516913	241623	500547	433153	154805	721605	762161	338917	0	0	0	1362888	1745419	0	404595	338139	636065	401799	409472	0	1134936	502560	305781	471178	630382	327432	617557	619834	1056383	695958	245825	908126	401419	368174	124490	556508	537137	453965	399602	424415	176625	168492	0	349181	589503	398698	404353	994499	307788	473138	613582	332477	455646	373487	385674	722390	374571	479500	790956	767567	994923	0	636470	542964	511393	652807	601344	464248	398629	514454	1472395	419279	509909	0	360108	1297327	Phytochemical	0.5	1.0416666	0.041666668
24	C24 H25 O12 N1	520.14496	520.1456	0.15710768	520.145	8169	4675	6624	8526	11701	9487	1614	2820	14783	32581	10407	2031	19545	3032	3451	0	1522	20089	14291	17292	24614	20162	5205	4361	1909	7687	0	4993	3068	0	1633	0	3526	1835	35314	1717	4523	3023	2999	17836	11083	3229	0	0	0	37287	37582	0	1874	2278	9889	6402	6607	0	14921	12936	4085	2615	5266	1439	3171	15262	23262	14139	3682	10041	7451	1842	10296	17177	17980	2410	2418	0	0	2857	0	2486	3778	12305	4903	21245	2363	11084	13030	5871	5394	4947	4518	0	4146	5711	4008	19141	38845	0	10048	7573	11618	8812	13364	3711	2218	2552	25019	3597	7855	0	3539	25938	Phytochemical	0.5	1.0416666	0.041666668
20	C24 H25 O12 N1	520.14496	520.1457	0.09536853	520.145	45176	35254	35084	33803	47147	33378	9192	11744	49049	111018	44092	10709	91676	24752	15940	15497	8429	62857	63236	90515	92783	86652	25182	18553	15392	33347	11816	24228	14011	9939	10390	8411	15355	10638	128423	9517	18666	13960	7363	59168	43679	17288	1566	0	0	125951	128658	0	12403	12882	40606	39420	28364	0	57761	47633	18137	12308	12554	6453	19686	50066	73288	43315	16684	47410	21709	7291	33383	57422	39404	12558	7132	7078	6686	9147	401	8580	19949	56979	18424	77631	15482	42912	50884	31034	21798	14777	17614	9351	20484	26846	25061	71421	98628	0	35810	42009	41038	31644	45097	18589	10118	20829	96727	13454	44657	0	9418	69144	Phytochemical	0.5	1.0416666	0.041666668
22	C24 H25 O12 N1	520.14496	520.1457	0.09616877	520.145	16538	15515	16085	16380	21449	22154	2654	5156	29605	50876	18170	2511	46700	13949	7113	5919	3201	43097	24788	41518	51856	40674	9464	6580	7381	17576	4032	13679	7507	3103	3815	0	5628	3045	60804	2542	7301	6677	2480	31569	18587	8100	0	0	0	74871	75029	0	2684	3835	22085	20068	17040	0	32347	29402	9401	6529	8405	3298	6367	30652	38253	22276	10507	25281	10328	4131	19395	27878	24883	6440	3839	2437	1668	2397	0	6084	13948	30365	13056	53347	5145	16750	37239	16099	12690	9403	7552	6508	10552	9718	11322	38426	51685	0	16544	21313	20437	19401	18143	5854	5313	8548	55347	7199	23454	0	5286	43997	Phytochemical	0.5	1.0416666	0.041666668
16	C23 H25 O11 N3	520.1562	520.1569	0.112439886	520.15625	13751	13239	13054	14316	7270	6861	12044	10306	9352	0	5297	10671	16067	6868	12505	11826	9844	16291	17910	10890	0	21807	9974	11624	10177	0	8930	0	13317	7498	0	5357	16131	10108	17414	9787	22208	9358	15430	11596	21478	7866	0	0	0	17434	22418	0	15046	11506	10321	13534	9706	243	14536	7829	7647	14447	15232	8894	13766	11947	15826	12823	6133	12877	11311	14681	0	0	0	10867	10410	6767	0	9092	0	9514	9682	11501	11124	15416	7901	9243	11474	7082	12204	8922	0	0	10518	10358	0	13350	24440	0	10183	11888	5079	8052	10554	0	8490	11820	14593	15308	8616	0	12302	19555	Peptide	0.47826087	1.0869565	0.13043478
14	C23 H25 O11 N3	520.1562	520.1568	0.12267594	520.15625	186051	151270	140354	159027	110931	92317	81916	134375	190269	258999	151452	83357	214796	59348	121476	102107	90821	178470	195316	195231	250146	278252	144612	42041	90018	56159	73120	73924	57549	91581	95549	70824	123878	100288	331641	55440	118534	103351	34638	159077	168916	78863	0	0	0	314330	401724	0	96104	79139	148672	87631	95227	0	266639	115857	71016	111938	149305	77235	148585	137106	244528	159603	56824	215495	94435	87814	17112	121713	120904	108626	96089	102586	40978	37098	0	83273	141209	80558	94347	230285	70741	106360	140369	76865	107586	88476	90901	172528	85921	109749	187050	169801	224370	0	147093	122000	120129	154988	139278	109676	95489	121090	334804	98441	117958	0	86145	308618	Peptide	0.47826087	1.0869565	0.13043478
12	C23 H25 O11 N3	520.1562	520.15704	0.20114829	520.1563	28095	27665	17496	19390	16996	13545	22115	25161	17308	23060	11248	16533	25127	5429	20994	20117	21475	23760	30039	23828	26015	42096	20637	27359	17417	5260	13133	10432	24965	10992	20672	17060	29563	16655	31054	16527	20652	18513	26243	30252	39620	11294	0	0	0	36818	38298	0	16752	18254	29350	20499	17406	0	29586	11719	10017	26791	24742	16453	22601	23781	29400	20909	11206	21777	13797	30100	0	17902	11074	18673	16012	18117	17932	14203	0	19741	17372	0	15045	21768	14434	12105	21249	20866	21714	15631	0	49577	12095	26596	40152	25199	21356	0	26645	21826	14904	15566	13312	22397	16631	23894	26424	26956	14527	0	18824	35178	Peptide	0.47826087	1.0869565	0.13043478
12	C21 H29 O14 N1	520.1661	520.16693	0.09621371	520.16614	19045	21015	18975	23728	24810	15829	13308	31382	39205	23383	15999	20083	68363	9811	28110	20155	25259	49830	52230	34723	47990	41452	36346	24161	13940	6529	9665	0	24864	21052	20683	14326	22114	14217	43188	27663	17426	26118	17176	23044	25984	24237	842	0	0	68992	126311	0	13949	27437	24933	14024	24825	0	75863	34399	18509	17821	19794	14334	17738	21456	54404	38865	14130	27344	23309	17384	0	6839	14797	17307	18450	23932	19803	14703	0	18718	20303	38061	21216	50177	9561	8960	39413	19136	21652	14131	17070	15336	4612	13573	34383	47393	32654	0	21729	35381	32727	28202	28002	30712	16938	18783	107929	21105	33527	0	14140	44730	Unclassified	0.6666667	1.3809524	0.04761905
8	C25 H29 O11 N1	520.18134	520.1823	0.15627146	520.1814	10503	13204	8621	11377	7626	4333	4287	8446	6734	33352	15121	2984	9917	2848	4194	6816	6029	7473	12186	25562	28979	19704	7362	11590	4949	6609	6640	9511	5125	4510	6933	8217	7290	6355	43237	4906	6880	4724	6740	15991	21105	4599	0	0	0	15683	18863	0	9367	6133	10430	9710	6408	0	11332	6765	3550	9573	4639	5017	7376	13252	12490	9029	2636	9379	7343	6408	9128	11130	13864	4983	4677	5253	4499	5390	0	5063	9760	10088	6154	8043	4734	10133	8524	0	6093	3884	3862	11785	0	7399	14504	13978	22091	0	10901	9831	6894	7397	6357	9121	5736	8776	7997	7245	5917	0	5928	8251	Phytochemical	0.44	1.16	0.04
26	C25 H29 O11 N1	520.18134	520.18207	0.110614344	520.1814	9946	9159	9221	5801	10162	9330	0	0	9811	29844	6026	0	22260	3002	0	0	0	13552	12683	19930	23817	11028	7086	6690	0	17859	0	6059	0	0	3552	0	1779	2805	28551	0	3586	0	0	15790	11394	0	0	0	0	12659	23524	0	0	0	8143	5800	7915	0	11321	10767	3735	4703	2989	0	0	9207	15775	9336	3489	10013	4609	0	21411	22564	25519	4021	0	0	0	0	0	0	5347	6865	3285	10218	0	8424	11792	0	3978	0	3611	3144	4298	5974	0	8652	19236	0	9273	9739	6909	5549	5916	0	0	6034	12483	3247	8820	0	0	17243	Phytochemical	0.44	1.16	0.04
24	C25 H29 O11 N1	520.18134	520.182	0.09185279	520.1814	18422	16289	17458	16787	23041	12238	3374	7544	27085	56492	17872	3024	38495	6611	10751	9093	4078	29948	26898	44454	49995	23153	12585	10063	5279	28962	4254	13834	4095	3404	5939	6589	7824	6013	52361	5342	8215	3516	3740	31336	20338	5948	0	0	0	35829	36538	0	6915	8340	14340	11060	13654	0	21794	18538	5700	8082	9501	3207	11518	23280	28541	22464	7724	19859	9734	4401	30825	49571	42266	7701	7135	2850	4381	3165	0	3801	12281	13940	9441	26827	6560	13286	21429	14418	9204	7030	5957	6368	9951	11923	12796	16108	34457	0	19177	16444	16378	19354	13312	7360	4720	10949	28613	8249	15621	0	6308	30831	Phytochemical	0.44	1.16	0.04
10	C24 H29 O10 N3	520.19257	520.1934	0.06596869	520.1926	45857	42134	39955	33307	18952	17260	29671	49786	23033	42781	25399	26935	28896	8563	32002	45753	38179	26273	31498	45673	45697	68026	39350	64642	32225	5530	27661	15284	38355	33810	40271	39115	53794	37678	49561	38196	53053	30075	40153	51671	36741	22221	0	0	0	54102	0	0	47309	34919	39567	38693	21777	0	30778	16952	18077	49949	38834	29434	50816	30103	27644	24732	15871	26682	21180	44721	12005	14380	12657	39824	32923	34652	31992	38882	0	30610	38406	27793	28320	32158	33697	23671	20317	13897	40329	23028	19791	63150	55931	61096	87411	27839	39429	0	42892	42857	14382	24006	19260	42718	0	54678	24689	43307	15208	0	39103	31106	Phytochemical	0.41666666	1.2083334	0.125
16	C24 H29 O10 N3	520.19257	520.1932	0.025255335	520.19257	120536	79476	104924	125692	74060	82708	103420	132936	95880	68615	42892	72064	184416	30528	126216	114244	90268	109812	90760	101541	101060	168912	121604	146168	124864	8030	99636	0	103416	88772	233592	104052	130098	199080	98960	108012	160468	116848	87992	102432	75968	55184	0	0	0	90393	55924	0	159800	110992	102612	122276	67052	0	110580	48680	43476	130152	116588	0	175672	62228	76032	113864	50556	73260	85444	76688	0	4745	8366	96416	74384	172248	69364	104120	0	86984	133692	57840	88108	81856	96096	63412	55352	58744	143992	67776	75684	161008	131728	177212	312256	73928	99311	0	97996	99092	59952	45676	61616	122704	69412	123211	0	143584	58460	0	136912	102236	Phytochemical	0.41666666	1.2083334	0.125
14	C24 H29 O10 N3	520.19257	520.19336	0.08198443	520.1926	0	35919	71860	45675	23521	28235	37575	47261	23227	26977	13714	25257	26549	14727	35795	55903	0	32971	45612	37660	31179	72122	39199	69964	0	4256	32183	17320	48664	36794	37839	52221	50670	36373	45738	39034	0	40184	44016	45981	29504	20078	0	0	0	42301	26128	0	36799	46358	37583	36853	23974	0	36744	18236	17075	57626	57748	27779	58960	34311	29966	24243	16422	53496	25496	37555	0	17223	10683	39069	27958	37671	33321	38632	0	32619	45581	22576	32182	23331	35496	43866	24581	24108	51001	31264	27043	63363	57174	74504	0	29190	34569	0	41869	38837	18229	22031	21023	50674	27782	46158	27662	53494	20205	0	42429	31495	Phytochemical	0.41666666	1.2083334	0.125
22	C29 H29 O8 N1	520.1966	520.1973	-0.00529551	520.1966	2032	1965	3163	0	0	0	0	2028	1702	7277	14790	0	3112	0	0	0	0	0	3633	11287	10549	2858	1530	0	0	24337	0	17741	1390	1576	2029	0	2095	2541	11727	2368	0	0	1320	8429	13828	1635	0	0	0	7123	11816	0	0	1489	4525	4888	2408	0	1732	1644	1596	0	1221	0	2601	6902	0	0	1744	3010	0	0	24680	21390	36747	1597	0	1315	0	2504	0	1411	2844	5212	0	1940	2160	9175	3792	0	0	0	2150	1849	0	0	3981	6327	3524	0	0	3226	2745	0	3108	1985	0	3832	2849	1836	1531	0	1761	2070	Phytochemical	0.27586207	1.0	0.03448276
12	C22 H33 O13 N1	520.20245	520.2033	0.08350412	520.2025	13741	10130	12299	11890	10231	11062	17840	31803	17466	17176	8592	14235	22860	5244	22565	18226	18771	28777	23798	30112	20498	21026	25398	25840	14687	6352	8381	0	22209	19933	20283	16333	19656	13942	28865	21746	17263	17587	15293	16175	12794	13657	500	0	0	28289	24427	0	18798	20202	12375	14666	12402	0	29374	11984	7858	16932	23281	12214	0	16379	22129	20403	7642	16479	12877	11828	0	10618	8681	16851	16685	27961	11379	12749	0	17306	17636	0	16993	16115	12528	11994	12535	11463	16509	8262	11298	15109	5652	15449	23895	10716	11409	0	12986	21884	16538	15846	16134	18031	15469	26723	0	15788	18822	0	12865	20669	Lipid	0.59090906	1.5	0.045454547
10	C26 H33 O10 N1	520.2177	520.21857	0.10521561	520.2178	21218	18304	14182	13227	10124	9867	11955	19807	8594	38880	16919	8746	10513	4293	10486	15263	10841	11204	12477	41586	37613	26542	12147	16444	10886	15424	9450	19751	15349	12680	13216	17955	16730	12561	54540	13591	17674	8094	13632	32587	19236	7505	0	0	0	20579	17282	0	16476	12351	13518	17090	8555	0	14962	5995	5066	15103	9129	9538	15786	16617	11662	11325	4401	11541	7329	11864	14562	23971	19448	12327	12233	11422	9313	12985	0	8492	11407	11122	9499	9480	6327	13510	10188	5357	9454	6114	8328	19645	13674	13879	26447	12674	25322	0	19518	19083	4381	7690	7442	16401	8805	17696	14548	14620	6022	0	10548	16796	Phytochemical	0.3846154	1.2692307	0.038461536
16	C26 H33 O10 N1	520.2177	520.2185	0.04101677	520.2178	172648	178832	172110	174197	98570	90988	106164	207517	111261	302961	149498	115285	136897	65821	151345	176220	170531	126343	171704	342321	322669	177514	151804	207264	123921	280515	119796	150448	149665	160935	163796	175387	187168	135722	326159	168257	165847	120596	167089	201120	216696	97441	1835	0	0	163863	151912	0	169899	166713	151994	195366	100618	0	154861	106958	58083	178941	143198	142544	170076	130154	142021	113929	62309	118197	99956	163857	212464	315967	298185	149975	164550	162050	156239	162397	0	100910	179260	106451	127811	119161	153185	157469	138095	91011	170710	101215	101239	211932	187636	167401	148606	111341	168958	0	208890	185871	95866	102058	109691	183358	93314	197260	102402	180545	103814	0	138479	144995	Phytochemical	0.3846154	1.2692307	0.038461536
22	C26 H33 O10 N1	520.2177	520.21844	0.06380863	520.2178	86234	84658	89663	84139	94156	77106	32844	82078	95094	226879	103864	37295	117306	65251	71479	62066	35466	116112	110712	203554	200771	104067	76731	85721	61787	187016	31366	89288	72296	59175	61941	70779	77443	68257	254306	68495	84745	47997	40909	135207	92266	51950	2736	0	0	137313	97422	0	58220	64301	84906	88927	66413	616	104572	75412	41669	75556	59318	33120	83847	100660	116219	84492	39013	84228	65446	37191	167017	260066	193841	73986	64597	63631	38310	53565	0	48438	73518	49332	62416	71406	53133	88062	95117	55643	63712	48373	54977	49842	76963	93171	108445	61897	115797	0	86560	100001	68000	61130	73806	74264	43507	77260	87383	68785	72932	0	47023	119772	Phytochemical	0.3846154	1.2692307	0.038461536
18	C26 H33 O10 N1	520.2177	520.21844	0.06443286	520.2178	454212	451644	375047	383481	323891	197072	252211	461565	305596	1168414	423516	252188	400802	168312	356798	419891	284858	387000	433072	776012	693550	396603	389636	427996	289376	681845	226428	384082	414355	364858	354950	378270	414168	340349	723131	349629	407629	288944	289574	506427	446727	229561	7077	0	0	387781	314738	0	355315	386977	399980	401674	244227	520	425438	297815	186935	435228	359991	256168	438797	351490	415174	319477	177145	332937	248637	292588	545590	830857	1327653	361525	285761	373094	291781	370915	0	247551	454452	216058	342308	236215	303634	366637	353697	230388	384025	225383	257189	364225	407836	461806	559486	257998	365623	0	390110	438939	256544	284332	281355	428849	234631	382877	259606	346560	240467	0	280449	383699	Phytochemical	0.3846154	1.2692307	0.038461536
14	C26 H33 O10 N1	520.2177	520.2185	0.060518432	520.2178	53575	49784	40816	48270	24471	20970	37224	57607	29149	87715	51879	36801	32794	14550	34944	55226	41976	35042	36630	99577	95684	74855	39832	57582	44040	60566	28370	43662	41916	47629	39741	46697	51354	32884	104898	50382	42846	30513	40714	71354	69518	29015	0	0	0	55300	51743	0	51819	50007	42086	45548	25462	0	40640	21425	21013	51252	42529	27751	49389	48669	33910	28297	16317	30191	30085	38960	77835	75745	62812	39373	38120	48720	36270	40717	0	29955	37916	40884	37305	32440	33576	46169	29687	26475	41367	23888	30393	70827	41090	51499	67755	30221	54803	0	45800	49284	17815	24730	23068	55943	29585	63119	41852	42326	21004	0	34579	32738	Phytochemical	0.3846154	1.2692307	0.038461536
28	C26 H33 O10 N1	520.2177	520.2184	0.06627731	520.2178	7734	6047	5226	6183	9254	4827	2302	2958	6391	17208	5610	1182	13115	4054	3150	5552	0	9210	7794	14905	16694	7644	4380	5250	3915	20596	1628	5904	2957	0	1739	2973	4887	3776	15671	2991	6403	2708	2749	9269	7894	2806	0	0	0	5617	7681	0	4293	5402	6879	3979	5509	0	6839	7068	1915	3953	3085	0	5231	4665	9716	4938	1664	8125	3785	2661	18121	28442	26791	3566	2375	2517	0	3061	0	2339	4742	4410	2726	4563	1693	5421	8132	3079	4265	3616	2386	2743	2669	5954	9231	1652	4959	0	4586	4217	3384	5616	3633	3829	2267	4324	4714	5573	3191	0	3397	10946	Phytochemical	0.3846154	1.2692307	0.038461536
24	C26 H33 O10 N1	520.2177	520.2184	0.040956154	520.2178	33697	35650	32112	37410	43443	28418	11790	29944	43220	90553	41177	17755	63031	22179	23635	36958	15150	49245	60816	83787	89292	37131	29489	32142	18142	86658	10145	30561	27459	18851	19172	22928	28529	45188	115261	23402	32879	16932	14844	57348	40815	19667	2278	0	0	61286	47560	0	23710	20979	34135	40362	27873	0	51351	33197	18631	27199	18834	12774	34504	37388	60582	39847	13943	46670	24247	16161	68700	118466	94670	60452	19015	14588	14496	17691	0	18694	30342	17816	27920	28796	15831	34732	52821	21189	27096	20635	20445	19966	26799	33939	38510	26853	38879	0	33028	43304	32666	30938	33440	27676	12615	29031	39574	24856	32069	0	20738	60194	Phytochemical	0.3846154	1.2692307	0.038461536
4	C20 H33 O11 N5	520.2249	520.2259	0.07825868	520.225	478	0	0	514	0	653	0	0	0	0	0	0	0	0	238	0	0	0	0	0	0	0	0	0	0	0	0	5950	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	307	213	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	58449	0	0	0	0	0	0	0	0	0	895	17641	2106	441	9644	1256	0	0	800	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.55	1.65	0.25
2	C20 H33 O11 N5	520.2249	520.2257	0.42065492	520.22516	1056	0	0	0	547	0	0	777	343	0	2080	0	0	0	0	0	0	604	533	0	0	545	445	0	0	0	0	14322	893	656	466	906	697	1260	0	823	0	368	690	0	0	0	0	0	0	0	0	0	547	739	0	0	0	0	0	0	0	733	0	0	0	0	472	0	0	1083	0	0	0	0	0	966	857	858	0	801	0	343	0	52917	0	0	0	0	0	0	328	1085	0	0	13304	4115	1318	9659	0	0	0	0	0	0	0	0	0	0	0	1186	0	0	0	637	Peptide	0.55	1.65	0.25
8	C25 H33 O9 N3	520.22894	520.22986	0.13308914	520.229	14148	14450	10079	11214	3937	6986	10302	17960	6448	11045	6190	8093	8297	3785	12128	17330	10191	6320	8829	14911	9158	31040	11749	22797	14657	1514	7679	3635	14325	13782	12553	15546	18109	11923	14208	13463	17461	12262	10466	11069	7018	6557	0	0	0	12035	8949	0	18667	11770	15264	13250	5191	0	10086	12319	5878	17162	7342	4945	13742	6407	3873	4969	3527	9544	6362	11899	0	7862	2268	14637	12744	11524	7135	12400	0	9490	13063	7109	11904	6610	9655	10679	4243	5581	11658	6717	6296	25863	22274	22756	41023	9649	15655	0	14123	12088	5348	10398	11220	13894	8615	17411	0	16688	5775	0	13046	5658	Lipid	0.36	1.32	0.12
6	C25 H33 O9 N3	520.22894	520.22986	0.14301993	520.229	9068	8524	5351	7221	2690	2138	3391	9555	3748	4526	2108	6138	4368	1323	5553	10513	5873	4039	5600	8405	6132	13631	7501	16358	6944	891	4670	0	8645	7633	7569	7015	8732	7843	7998	6877	9389	7253	7821	9578	7159	3612	0	0	0	6822	6835	0	8439	5558	7162	9998	2945	0	5233	5870	2596	11292	5125	4193	12008	2993	3150	3092	2814	5446	3838	9883	0	2409	0	7234	6387	6932	2397	5460	0	4696	8164	0	4113	3645	5255	4642	2090	2676	9458	2864	4345	19362	10549	13236	24763	5746	9410	0	9290	6779	1517	6775	4760	6629	3619	15557	0	9774	1789	0	7210	4141	Lipid	0.36	1.32	0.12
14	C25 H33 O9 N3	520.22894	520.22974	0.12181608	520.229	18027	20837	0	18337	8026	9535	24194	26256	12697	17648	5193	13281	8540	5241	20789	27618	14300	25260	13674	23179	13020	30302	22170	28116	33495	0	16976	0	29312	18293	23231	27003	35257	18923	21553	20073	0	26393	16395	16129	6479	11942	0	0	0	18870	9547	0	25960	20851	20661	16403	12143	0	0	10720	11399	31424	40240	0	28626	12608	7617	8689	6909	12377	9171	15153	0	3973	0	19776	16103	20037	0	17637	0	19404	21340	0	16542	16278	21301	10377	7603	11524	26157	9894	11820	25351	28293	40539	49595	16481	16520	0	17454	0	8747	11690	10594	36239	17324	24268	18357	22453	18932	0	25572	8160	Lipid	0.36	1.32	0.12
12	C25 H33 O9 N3	520.22894	520.2298	0.23205152	520.22906	12506	18186	15413	10795	6617	7865	17891	23720	10477	15028	6130	11654	9987	4563	22093	15510	17730	7990	10607	17651	10747	27022	18301	19667	24533	2645	13686	0	25265	11391	17063	14911	27022	14927	22778	17978	17600	19850	16239	18946	12186	6428	0	0	0	23360	10293	0	18666	12631	12101	15338	8679	0	10554	8671	8294	28568	15724	9045	0	13884	6007	7396	6189	10628	11208	25153	0	9020	2522	15474	13711	16029	9171	14461	0	17801	25132	16406	15583	13074	15909	11039	6477	6491	20317	7007	11347	35272	29232	32883	34637	13813	14632	0	13935	14334	5078	12736	13542	24270	0	11957	0	22368	7179	0	20689	11385	Lipid	0.36	1.32	0.12
10	C25 H33 O9 N3	520.22894	520.22986	0.1305229	520.229	18046	15167	16932	17353	6175	6804	13085	22807	7438	13215	5251	8564	8471	4680	15771	16733	9084	7937	12726	19856	12001	31329	16726	30542	22505	1889	10486	5684	18887	14884	10397	20337	24922	17036	23080	21126	24463	15411	11236	23194	9755	9114	0	0	0	19255	12612	0	19899	14475	16480	18457	8212	0	8941	9689	6350	23202	16831	9773	20678	11327	5227	8060	5436	8138	10223	15511	0	8039	4663	13660	13810	15701	8639	13541	0	11901	20529	11050	11526	13027	15155	10456	7057	6756	19585	8497	7760	21530	24218	31841	50842	14636	18140	0	16117	14158	4466	7773	10719	18986	12500	25045	0	25599	8294	0	21308	8028	Lipid	0.36	1.32	0.12
22	C30 H33 O7 N1	520.233	520.2336	-0.06029588	520.233	4416	8928	5098	0	3616	0	0	0	4378	6578	8472	4480	0	0	4060	8158	5850	0	0	8930	8894	3394	1514	5498	9252	30658	0	19530	3235	4006	3834	0	3836	5274	3534	3562	4286	0	5432	12232	16742	4466	0	0	0	0	9942	0	0	3208	5186	6950	0	0	0	2406	3272	7190	5224	6988	7074	4434	0	0	0	5786	3198	6766	19836	26658	21374	7074	0	4657	2632	0	0	0	5344	7178	3588	0	3906	14734	3218	0	11442	3560	5202	9400	9378	0	9222	4512	0	0	6306	9042	0	3390	0	5906	0	4616	0	0	2418	0	4872	0	Phytochemical	0.23333333	1.1	0.03333333
16	C23 H37 O12 N1	520.23883	520.2395	-0.11836023	520.2388	15960	10941	15076	17253	7688	12710	17004	27603	18086	12939	6060	12302	21095	8923	29917	26036	11120	18168	21282	19646	14048	11850	30938	26385	29287	2430	12231	6839	31698	24569	20456	18473	28481	14303	17580	24421	24988	20462	11043	10233	2832	13523	457	0	0	22164	5493	0	23956	23833	15447	13129	9818	0	28084	15708	10876	24379	27268	5955	26566	7644	16424	17272	7755	14460	14427	9488	2310	5858	1984	19024	23466	31551	12525	20772	0	15050	17975	8159	13407	10898	16120	5722	11856	11945	12885	6515	10755	0	12402	22499	42010	8888	4915	0	18751	22284	8226	9987	11236	27894	14026	21025	7348	22657	15272	0	15599	14816	Lipid	0.5217391	1.6086956	0.04347826
6	C24 H33 O8 N5	520.2402	520.2409	0.18928292	520.2403	1586	2004	1745	1929	838	887	1068	3134	1331	0	0	1163	779	474	1749	3056	907	1018	1605	0	0	2432	1202	2377	1435	0	1157	5627	2100	1983	2538	2770	1421	2416	1791	2543	2447	1688	0	0	975	869	0	0	0	0	0	0	3962	1886	1129	2367	691	0	1280	536	375	1331	1199	0	2199	0	1061	1031	0	816	760	0	0	0	0	1205	1546	2556	0	2119	0	1662	1716	27758	958	633	551	0	1513	0	2554	0	1214	2104	16092	7975	4666	2367	0	0	2012	2556	0	757	612	0	848	1522	0	1863	0	0	1438	0	Peptide	0.33333334	1.375	0.20833333
8	C29 H33 O6 N3	520.2442	520.24457	-0.6291356	520.2439	0	0	965	0	0	1744	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	685	0	5058	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	958	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9905	0	0	0	0	0	0	0	0	0	0	23649	0	0	0	0	0	987	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.20689656	1.137931	0.10344828
14	C32 H34 O4 N1 Na1	520.24585	520.2472	0.15885441	520.2459	0	0	0	0	0	0	0	5830	0	0	0	0	0	0	0	54539	15205	0	0	0	0	0	0	0	5282	0	0	0	1512	2011	0	0	0	0	0	13418	0	0	2131	0	0	0	0	0	0	0	0	0	0	1861	0	0	0	0	0	0	0	0	0	0	0	1345	0	0	0	0	0	1768	0	0	0	0	0	5043	45370	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3478	0	3209	0	0	0	0	0	0	0	0	0	0	0	0	3956	0	0	0	0	Phytochemical	0.125	1.0625	0.03125
26	C27 H37 O9 N1	520.2541	520.2549	0.026385892	520.25415	32497	27583	26449	27981	37922	21506	9045	25457	30833	53643	30199	12725	55269	23572	14335	29955	12808	38426	43094	64509	65328	25781	24026	24362	16639	87020	8483	31972	25510	16349	17448	13352	23396	24292	56598	18191	28112	13744	14258	43684	34459	14580	0	0	0	31522	21640	0	20126	15311	33155	26018	25280	0	37391	28755	11347	26288	15303	9589	32353	26492	40287	27523	8145	36773	15654	11864	79705	107534	107469	24496	24208	16646	13242	19574	0	12790	30022	11730	22170	14019	17470	26714	39766	14949	26368	18335	19164	18436	25270	35790	28432	16803	26166	0	31084	33155	23627	28343	38542	23379	9458	27839	16193	17394	29288	0	14681	38823	Lipid	0.33333334	1.3703704	0.037037037
28	C27 H37 O9 N1	520.2541	520.2548	0.060505673	520.25415	8369	7829	8423	5676	11574	5098	2156	6536	8993	14762	9277	2907	20076	5139	4197	7240	3877	8594	9973	17241	19556	4810	4973	6137	4493	32016	2589	10203	7383	5547	5222	5553	4954	6158	17814	5225	5662	3431	6005	11010	8501	2678	0	0	0	6833	7114	0	7470	6069	8884	5963	6463	0	9153	10043	2824	6954	2930	2461	4828	4122	11022	6558	2806	11058	5262	3621	27692	37762	45452	6557	3401	5478	4143	3698	0	3830	8048	2544	5690	2792	3538	7418	9610	4323	8578	3916	4112	5819	6371	7824	7410	3312	5862	0	7519	8886	5843	8273	9724	6273	1643	6095	3548	5866	5198	0	2753	11262	Lipid	0.33333334	1.3703704	0.037037037
16	C27 H37 O9 N1	520.2541	520.2549	0.00657267	520.2541	32129	38666	36386	35246	21686	14604	28506	41781	21848	33740	29941	28764	17231	10843	32575	55200	39943	17376	36683	64323	59653	36198	33720	55484	34536	61203	24642	27258	37465	38783	42864	33435	46085	26915	49860	40283	43678	29870	43999	37355	35485	21490	450	0	0	39128	27653	0	42072	39681	41175	36865	20443	0	29163	16631	15004	47564	23075	30854	46707	21451	17712	19253	9808	21724	19798	38169	34614	54406	59132	36097	38315	35705	44732	37404	0	24438	35963	31569	23408	19973	24051	24378	28412	19136	38183	20383	23528	95832	52367	40490	75808	21042	38545	0	32323	41823	16443	16773	26038	47859	27117	48657	19003	38115	18712	0	31859	21354	Lipid	0.33333334	1.3703704	0.037037037
24	C27 H37 O9 N1	520.2541	520.25464	0.057532247	520.25415	93511	84404	88504	85927	101331	65979	33811	77853	88581	163715	97084	38814	121308	56331	66581	83714	42246	113229	129235	207568	195943	78261	74366	93631	64224	212207	28541	90021	0	0	61764	0	77536	0	197111	73793	95107	49451	44073	131556	82171	51987	1900	0	0	105850	73091	0	0	64938	91014	84851	75537	0	114465	71618	37183	80050	66202	29029	88940	80417	95334	86624	34419	97107	65017	0	174199	279053	241063	69650	71789	61179	41110	55046	0	0	0	40628	65768	51165	46703	79328	103685	60761	69486	46848	56241	57174	85477	100935	113106	52122	90862	0	89427	95041	53350	73666	85873	81030	42602	93230	60077	0	66564	0	0	109961	Lipid	0.33333334	1.3703704	0.037037037
14	C27 H37 O9 N1	520.2541	520.2549	0.06627228	520.25415	17832	14560	14720	14814	5931	8407	13850	23802	8369	32656	13853	11182	7120	4428	10299	19745	17477	6158	12516	22990	24117	19236	14900	19036	12072	20821	14694	16888	21841	16860	11293	18625	19178	14987	29823	17322	22057	11672	18441	19335	16461	9133	0	0	0	14479	9698	0	15937	17741	14315	12185	7163	0	9106	6260	6255	19243	6544	17679	0	9074	6641	7766	4217	6984	10595	19303	21182	25936	24149	14788	14226	18369	16043	18050	0	11257	16285	0	13358	9185	9451	11260	7545	5733	16050	7838	10727	29695	18161	18169	30915	13534	21594	0	14509	15545	8478	6744	9266	19418	10987	25337	18544	17498	5533	0	15400	7023	Lipid	0.33333334	1.3703704	0.037037037
12	C27 H37 O9 N1	520.2541	520.255	0.15026273	520.2542	12456	11574	8616	8822	3307	4700	8314	11511	3425	16304	5831	6310	2726	3118	7916	10528	11825	5075	11467	27906	20243	16381	8256	9723	5933	13012	8412	0	12657	10141	11444	11877	12764	6901	25984	11319	10628	7367	10412	18328	8024	4475	0	0	0	8490	7626	0	12597	13351	7954	11219	5490	0	4723	3871	3019	15459	5245	0	21059	7835	8956	1834	2871	3168	5518	12086	0	18915	13861	7887	11014	8272	9474	8087	0	7809	6859	0	6578	4187	4181	7339	3201	2854	11840	4572	2676	12477	14917	11577	22016	3887	11796	0	8933	8462	3355	3534	1792	8817	6285	14323	0	10861	3077	0	8050	4050	Lipid	0.33333334	1.3703704	0.037037037
6	C21 H37 O10 N5	520.2613	520.262	0.47085866	520.26154	781	0	798	748	0	775	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	868	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	74492	0	0	0	0	0	0	0	0	0	0	42172	14514	0	8352	0	0	0	868	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47619048	1.7619047	0.23809524
2	C21 H37 O10 N5	520.2613	520.2622	0.412841	520.26154	0	0	823	642	318	0	0	564	0	0	0	334	0	0	335	0	846	0	0	0	0	0	621	1126	0	0	0	14635	0	0	514	0	3678	544	0	1003	4132	0	766	0	0	0	0	0	0	0	0	0	747	441	0	977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	665	0	0	0	632	0	0	0	0	0	489	0	86719	0	0	0	0	0	0	0	0	0	0	9621	4711	0	4541	0	0	760	0	0	0	0	2197	365	0	0	0	0	0	0	0	Peptide	0.47619048	1.7619047	0.23809524
4	C21 H37 O10 N5	520.2613	520.2623	0.098942734	520.26135	724	0	741	956	0	1890	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12474	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	829	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	144471	0	0	0	0	0	0	0	0	0	0	54388	19401	0	8579	1348	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47619048	1.7619047	0.23809524
14	C24 H41 O11 N1	520.2752	520.2759	-0.032257006	520.2752	0	2162	3525	0	0	0	4898	3229	0	1795	0	4837	0	0	4605	0	0	0	0	1610	0	0	0	0	0	0	5916	0	8034	15209	10042	27994	7957	8062	0	18496	6089	2193	1664	0	0	1100	0	0	0	0	0	0	8452	7253	3045	0	0	0	0	0	780	0	0	0	0	0	0	1427	0	0	0	2107	0	0	0	5319	16348	51970	2145	16049	0	12884	0	0	0	0	0	0	0	0	1471	0	1926	0	13592	3847	0	0	0	0	3002	2935	0	0	1257	6202	7526	0	0	1637	0	0	0	0	Lipid	0.45833334	1.7083334	0.041666668
10	C25 H37 O7 N5	520.27655	520.2778	0.1349466	520.2767	2746	1711	0	0	0	1416	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1571	0	0	0	13150	1960	2803	1667	2194	1686	1230	0	3622	1684	1209	0	0	0	0	0	0	0	0	0	0	0	1204	0	1523	0	0	0	0	0	1563	0	0	0	0	0	0	0	0	0	0	0	0	0	1476	3347	5995	0	1313	0	959	1064	77482	0	0	0	0	0	0	981	0	0	0	80707	14310	0	4385	0	0	0	1013	0	0	0	1676	0	0	0	0	0	0	0	0	Peptide	0.28	1.48	0.2
6	C25 H37 O7 N5	520.27655	520.27747	0.13941671	520.2767	941	773	0	982	0	0	0	0	0	0	0	0	0	0	0	949	0	0	0	0	0	0	0	0	0	0	733	6035	0	0	702	0	862	0	0	760	847	0	0	0	524	0	0	0	0	0	0	0	0	0	0	628	0	0	0	0	0	1471	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	626	670	34305	0	0	0	0	0	0	764	0	0	0	58684	13719	1246	1758	0	0	0	0	0	0	0	0	0	0	0	1119	0	0	0	0	Peptide	0.28	1.48	0.2
18	C28 H41 O8 N1	520.29047	520.29126	0.085461624	520.2905	14378	15548	11437	11435	9062	7240	15146	22733	6511	6095	10451	8413	11122	7208	9089	21931	20321	7445	16532	20444	18435	10120	16718	26421	8608	22609	13022	8446	21607	15669	12181	16249	15402	10169	7942	19696	12717	12573	23531	12717	8560	10206	0	0	0	9869	9041	0	16627	18645	12615	12948	9996	0	13243	12786	6079	20264	6363	12872	23003	5219	6172	8114	5576	6836	7352	22182	16927	17868	23904	9411	11677	18752	25717	17177	0	10230	16045	7913	14108	5676	7520	9374	15214	10042	13383	6319	8657	19025	21193	10659	23995	6322	9207	0	15197	17143	7695	12228	11462	19639	10717	19951	7327	16274	9136	0	16476	8008	Lipid	0.2857143	1.4642857	0.035714287
26	C28 H41 O8 N1	520.29047	520.2912	0.039715204	520.2905	55921	53456	52860	54455	81453	34641	24838	59958	68278	63539	57485	26727	63433	38129	44863	61374	40670	57244	96064	105724	98661	43643	54726	67245	50913	154451	24123	71054	62448	55093	53800	53054	62561	51107	102227	57858	62309	36790	35506	71591	59160	37879	0	0	0	57106	43454	0	53793	49355	54188	53210	60415	0	92719	69900	31119	58196	40918	23438	65900	40298	66844	61709	21345	56513	45330	39765	138972	167446	170904	52502	49081	52018	33987	43154	0	38715	55843	31882	43632	31052	41751	52379	87731	55019	56773	35464	38000	34849	57196	75999	70911	31261	54095	0	52605	74373	48474	68325	78873	73842	25694	63722	38804	46623	71763	0	41237	61158	Lipid	0.2857143	1.4642857	0.035714287
28	C28 H41 O8 N1	520.29047	520.2912	0.03583053	520.2905	9973	8538	9531	7768	17583	5040	5601	7637	8077	13150	11660	2917	14546	6461	3885	6077	4539	8628	14103	13093	15216	6264	5628	7399	4887	37271	4367	12041	7868	7896	5447	6287	8818	6001	13575	6038	6835	4077	5682	12138	10565	4830	0	0	0	7549	6106	0	6604	6686	8337	9330	8352	0	13110	11396	3652	8423	3779	3487	8614	6522	12360	8214	4136	12785	9191	8072	32427	36562	46170	4768	4733	5179	5024	6753	0	4242	10220	6204	6272	4759	3909	9829	15798	6132	12431	5129	5726	8485	6646	11069	5659	4990	7384	0	10996	6511	8282	19186	20457	9792	3171	6471	3731	6577	13568	0	4313	9761	Lipid	0.2857143	1.4642857	0.035714287
4	C22 H41 O9 N5	520.2977	520.2984	0.30916515	520.29785	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6246	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29013	0	0	0	0	0	0	0	0	0	0	12542	1747	0	1457	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4090909	1.8636364	0.22727273
14	C26 H41 O6 N5	520.313	520.31323	-0.07454095	520.3129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1541	16839	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59247	0	0	0	0	0	0	0	0	0	0	96392	11790	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23076923	1.5769231	0.1923077
14	C29 H42 O4 N3 Na1	520.3146	520.31537	0.3927338	520.31476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3056	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3105	0	0	0	0	0	0	0	0	0	0	0	0	0	2127	0	0	0	0	0	0	0	0	1601	0	0	0	0	0	7406	0	0	0	0	0	2385	0	0	1646	3076	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20113	0	0	0	0	0	0	Lipid	0.13793103	1.4482758	0.10344828
22	C29 H45 O7 N1	520.3269	520.3275	-0.013894647	520.32684	12563	14370	11890	14556	19068	6579	12873	14210	13274	7350	10339	10787	11128	7928	9791	24352	31408	8556	19585	12973	10007	4562	18219	19246	13420	22051	16811	12318	17783	21185	15811	19920	15112	11685	4501	21231	18422	11815	34627	7051	10115	10967	0	0	0	6927	7807	0	14244	19828	13717	14226	16423	0	15057	15267	9198	20076	5644	14902	24341	4672	9779	15381	9054	10039	10551	28860	16433	10150	14068	9137	14029	17182	28052	15895	0	7307	13575	5163	15409	2421	9776	5968	23523	14265	23301	9389	12977	18226	18008	13553	15907	6449	7438	0	9348	14869	13800	18869	21232	29409	10523	16599	3407	11284	19973	0	14957	12104	Lipid	0.2413793	1.5517242	0.03448276
28	C29 H45 O7 N1	520.3269	520.3275	-0.030060785	520.32684	8936	6679	8949	6407	17241	3500	7457	8413	11947	4310	11980	3639	10194	7912	5739	4709	5919	5338	12984	8285	7256	5145	4950	4650	10593	20776	7155	14020	9228	9079	7542	8527	14837	6102	7615	12595	8019	5360	5766	7687	8026	5579	0	0	0	7435	3083	0	7240	7559	9985	6326	11924	0	19196	15046	5157	9928	7245	4054	10747	4856	8263	11272	4703	10603	8489	8104	20452	14102	15482	4275	5186	11731	3620	7861	0	6160	13478	8004	6084	5945	7169	8467	23395	10626	17608	3931	5638	13147	7630	11500	6049	6643	5053	0	6982	8069	11266	23580	27938	15034	4351	11237	5265	6696	19937	0	7244	4986	Lipid	0.2413793	1.5517242	0.03448276
22	C30 H46 O1 N3 S1 Na1	520.3332	520.3341	-0.42901137	520.333	3880	3365	2278	1811	3353	2337	6747	1561	4041	0	0	2117	2733	0	3519	4519	7167	0	5649	0	0	0	1981	1317	6396	0	6733	0	2442	2627	2966	4546	2503	1479	0	4000	1966	3436	11170	1401	1571	1901	4969	4534	2993	0	2074	0	2033	3011	2743	2505	1562	3121	5100	5889	1889	3067	0	0	25547	1356	2035	2220	7282	3806	3050	13351	0	0	0	1226	2656	2960	8636	4885	3540	1846	6208	3834	3882	0	3914	1638	7806	4820	6566	2332	2714	13463	2696	0	2877	0	0	0	2270	4314	4363	9243	8572	5917	2589	2472	0	4021	8976	0	4373	1504	Organosulfur	0.03333333	1.5333333	0.1
12	C28 H45 O6 N3	520.33813	520.3389	0.03064053	520.33813	9619	0	8515	0	0	0	0	0	0	0	0	0	4229	8629	0	14201	0	0	0	17616	0	313396	0	94639	0	0	0	272498	0	0	0	0	0	0	0	0	6302	0	0	10868	150167	11287	6133	0	438	0	0	0	0	170588	0	0	0	345	0	0	0	102870	0	0	0	0	0	0	0	0	0	0	0	2598	21000	0	0	0	5346	8314	0	2557	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21428572	1.6071428	0.10714286
12	C31 H46 O4 N1 Na1	520.3397	520.341	0.15643711	520.3398	7602	0	15366	0	0	0	0	0	0	0	0	0	0	0	1112	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1260	0	0	0	0	1728	0	0	4287	0	0	0	0	0	0	0	1632	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4744	0	0	0	0	0	0	0	8725	59740	0	0	0	0	0	1254	0	0	0	0	0	0	0	10136	2841	0	16531	0	0	0	0	5448	0	4536	0	0	0	0	0	0	Lipid	0.12903225	1.483871	0.032258064
12	C25 H49 O6 N3 S1	520.3415	520.3414	-0.7837165	520.34106	0	0	0	0	0	0	0	2169	0	0	0	0	0	0	0	6848	0	0	0	0	0	0	0	0	0	0	0	77426	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1667	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1171	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.24	1.96	0.12
24	C30 H49 O6 N1	520.3633	520.36395	0.095260896	520.36334	28704	30485	33693	34494	1790	957	1774	3511	1858	1193	1744	2049	0	1781	1748	12890	8693	1299	4189	0	0	630155	3404	2878	6746	0	1757	1573	4120	2102	2891	2957	3293	1295	0	4879	2262	4012	9885	27707	36012	1860	0	0	0	19100	28766	0	3694	3733	35588	31376	1607	0	1773	3134	2642	10904	10009	25745	9144	12547	0	2101	2189	0	2440	10558	0	0	0	0	967	3640	6153	6641	0	2207	14765	1015512	2759	15923	10459	19184	5377	4330	15805	1351	2268	87297	354358	408248	20841	949835	948341	0	30026	30445	1452	4518	5245	5235	4065	17556	13080	8144	2543	0	8998	1493	Lipid	0.2	1.6333333	0.03333333
26	C30 H49 O6 N1	520.3633	520.36395	-0.004650449	520.3633	11885	7789	10251	9106	11399	4210	9427	7066	7542	0	4432	4583	0	4463	6071	8558	14823	0	8797	0	0	51950	5819	0	7412	0	11034	4079	6584	18018	8060	8984	9019	5103	0	13706	6187	9403	13663	2541	8129	8494	0	0	0	9398	11042	0	7159	11453	12515	10756	10018	0	10286	12606	5091	10052	6290	7302	11934	3599	1721	3890	3933	2214	5144	17862	0	0	2064	3155	4777	12349	6317	11059	0	4613	15514	147582	4270	4570	7552	4127	21303	8453	18732	3759	5193	20121	52439	87392	17725	209916	286730	0	11565	15768	9558	16899	20939	16643	3483	11734	8493	4743	23270	0	9190	0	Lipid	0.2	1.6333333	0.03333333
12	C31 H45 O2 N5	520.3646	520.36536	0.2025334	520.3647	0	2515	0	0	0	0	3536	1910	0	0	0	0	0	0	0	0	2621	0	0	0	0	6826	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1890	0	0	0	422	0	0	0	0	0	0	1407	3607	0	0	0	0	0	0	1828	7142	0	0	1614	0	0	0	0	0	0	22619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1838	0	1795	0	0	0	0	0	0	0	0	0	0	0	Unclassified	0.06451613	1.451613	0.16129032
28	C26 H53 O7 N3	520.3956	520.39667	0.118851244	520.3957	11015	7700	6879	4444	4862	5749	3163	2994	1509	2852	0	1494	6673	326857	5347	4954	2664	0	11821	2306	0	2880	2494	5818	3008	14924	4419	2682	8673	8405	1978	3501	1445	2761	816	4978	2093	1369	1960	6410	2501	4537	1163	0	0	4161	9468	0	2784	4412	5960	6939	2110	11097	0	6471	1177	3665	0	1707	5309	0	1967	2825	19341	4447	10243	4985	2286	1335	0	2903	3195	5960	2348	2579	0	2993	2565	32102	2574	2344	4784	2161	6559	3730	2384	2828	1421	4474	2905	9431	7667	1599	6639	0	6750	9087	2497	4846	11357	4326	0	6950	0	5648	2988	0	3088	2352	Lipid	0.26923078	2.0384614	0.115384616
16	C22 H16 O15	521.0562	521.0573	0.29039335	521.05634	1912	0	0	1815	8297	0	0	0	9971	0	0	0	11057	1124	0	0	0	3555	3057	0	0	4689	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6527	0	0	0	0	0	0	0	5366	10367	1667	0	0	0	0	0	24276	7992	1426	7568	1538	0	0	0	0	0	0	0	0	0	0	0	2128	0	0	0	0	0	7701	1234	0	1086	0	0	0	0	0	7594	0	0	1706	0	6813	16859	12178	0	0	0	0	0	7062	0	0	20581	Phytochemical	0.6818182	0.72727275	0.0
18	C22 H16 O15	521.0562	521.0571	0.27503845	521.05634	2480	0	2505	2370	9727	1974	0	0	11479	0	2211	0	16177	3519	0	0	0	5212	3823	0	0	6136	1431	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1503	0	1400	312	0	0	0	6013	594	0	0	2186	4073	4475	0	7353	11912	3121	0	0	0	0	0	23187	11624	3227	12399	2186	0	0	0	0	0	0	0	0	0	0	0	2073	2286	2432	2517	0	0	15300	3053	1680	1232	0	0	0	0	0	10261	4072	0	2489	1763	8962	19755	16644	0	0	0	4882	0	9751	0	0	13904	Phytochemical	0.6818182	0.72727275	0.0
20	C22 H16 O15	521.0562	521.0571	0.23893024	521.05634	3443	2345	1803	2384	10275	4194	0	0	9668	0	0	0	22033	3671	0	0	0	5080	6210	0	0	7118	3140	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2276	1810	0	0	0	2071	7710	884	0	0	3760	2465	3735	0	9144	10277	3021	0	0	1074	0	1938	24609	10395	2139	9815	2605	0	0	0	0	0	0	0	0	0	0	0	2682	3532	2308	3570	0	0	16878	2227	3375	2692	1439	0	0	2383	0	15019	4015	0	0	2642	12232	22405	15150	0	0	0	8411	1582	10528	0	0	16520	Phytochemical	0.6818182	0.72727275	0.0
24	C17 H21 O15 S1 Na1	521.0572	521.05835	0.14309812	521.05725	2415	1881	4603	0	10335	2981	0	0	10064	0	0	1244	17518	2519	0	0	0	6029	7825	0	0	6684	2107	0	0	0	0	0	0	0	0	0	0	0	2447	0	0	861	0	0	1224	0	0	0	0	1158	6403	0	0	0	2668	1571	3924	0	6573	9421	4297	0	0	0	0	1556	21994	12494	2077	6444	1772	0	0	0	0	0	0	0	0	0	0	0	2928	1809	2765	2100	961	0	12505	0	1190	1517	0	0	0	1904	1285	6093	4960	0	1266	1799	5637	10705	13241	0	0	0	3632	0	4888	0	0	18312	Organosulfur	0.88235295	1.2352941	0.0
26	C23 H20 O14	521.0926	521.0934	0.27235603	521.0927	4685	4118	3890	3510	9488	6303	0	0	11262	4876	0	0	20189	3198	0	0	0	13250	8352	0	5052	10968	0	0	0	0	0	0	0	0	0	0	0	0	8830	0	1570	0	0	3713	0	0	0	0	0	7913	20667	0	0	0	4321	4883	4585	0	10380	9070	0	0	0	0	0	0	22578	8563	2773	7966	0	0	0	0	0	0	0	0	0	0	0	0	4958	5132	3836	7057	0	0	12530	0	2257	0	0	0	0	2032	0	5827	12334	0	3279	0	5769	9258	5418	0	0	0	7697	0	8079	0	0	21949	Phytochemical	0.6086956	0.8695652	0.0
20	C23 H20 O14	521.0926	521.0934	0.1885537	521.09265	18705	15467	17810	13211	34460	21600	0	2617	47756	15195	6840	2562	80250	12198	6076	0	0	48858	31474	10166	22619	40982	11178	3947	3495	0	3008	3831	2517	0	0	1446	4815	0	25461	0	3385	9494	0	9739	11528	6086	0	0	0	28764	48025	647	3263	0	14020	17404	20169	0	41050	41905	12705	2940	4360	3221	3159	10437	76825	39169	11140	37806	12087	1831	4370	4395	6114	1813	0	1803	0	0	339	4434	16371	25537	14108	31802	1203	0	49784	19647	11864	7571	10856	2387	4755	8909	5317	38726	31294	0	17315	14174	30615	39265	39194	3265	2248	2695	33327	4710	36609	0	2854	80441	Phytochemical	0.6086956	0.8695652	0.0
24	C23 H20 O14	521.0926	521.0933	0.24412496	521.0927	5205	6915	5295	5538	15703	6012	0	1636	12237	7425	2153	0	30123	5689	2396	0	0	13764	11681	6105	3263	14263	2191	1326	1267	0	0	0	0	0	0	0	1092	0	10700	0	0	1338	1420	3530	0	0	0	0	0	13123	17768	0	1329	0	7007	6409	8756	0	17712	11774	4256	2021	955	1438	0	3789	28589	10372	2735	11198	4562	0	0	3134	0	0	0	0	0	0	0	0	4497	7602	5144	12368	0	0	17068	4023	3128	1412	4558	0	1794	0	0	11961	17327	0	6462	3567	10804	8614	16608	0	1158	0	12718	0	8941	0	964	27426	Phytochemical	0.6086956	0.8695652	0.0
18	C23 H20 O14	521.0926	521.0934	0.23299184	521.0927	49446	44126	38348	45242	107047	47768	8430	5750	112308	52494	36938	10132	220530	41732	25254	3876	0	117680	90852	23706	37508	119214	26350	5854	3034	6074	10034	9664	6202	2642	9400	0	6564	0	60676	3720	21250	18190	3698	28886	29022	15720	1782	0	0	80890	105214	752	5742	5700	49244	48856	57670	0	127000	105516	37674	9132	5548	10458	6676	44277	218284	98558	35496	138678	39698	5336	9688	5204	18136	3484	2540	0	5470	0	0	10892	32482	80674	37706	111638	6534	8530	118176	52344	31060	23162	31672	13208	6668	10968	13874	107974	96268	0	60136	35842	89246	111784	95288	14566	10570	8474	99396	13410	81996	0	9570	214941	Phytochemical	0.6086956	0.8695652	0.0
10	C23 H20 O14	521.0926	521.0936	0.2019671	521.0927	6335	5397	4728	2433	9871	3826	0	0	11039	4068	5809	1200	14716	2941	1524	0	1346	5349	8098	0	6603	8488	2075	0	0	0	0	0	0	0	0	0	0	0	10662	0	2183	1136	1196	0	5898	1418	0	0	0	3541	14387	0	0	0	0	3719	4382	0	6998	12370	3546	0	0	0	0	2254	17922	10904	2848	11405	2313	0	0	0	1834	0	0	0	3127	0	0	718	5438	0	4169	4610	0	0	15025	3541	3442	1728	1975	1521	0	0	0	11969	8352	0	4225	3140	16110	20406	20871	0	2279	0	0	1123	12383	0	0	18561	Phytochemical	0.6086956	0.8695652	0.0
22	C23 H20 O14	521.0926	521.0934	0.25606337	521.0927	9453	11535	11156	10749	18859	15663	0	1932	23903	13612	5570	2124	45768	7001	2843	0	0	28171	14487	7775	11324	22997	8403	2205	2425	0	2261	4263	0	0	1495	0	2440	0	13208	0	2261	4217	0	6191	6824	2453	0	0	0	15552	29655	0	1420	0	10199	9090	12578	0	20338	25497	8553	0	2082	1856	1420	10447	36850	20723	7552	27435	5814	0	2657	0	4332	0	1174	0	0	0	507	1390	8092	13033	8778	22508	0	2923	30156	14410	5694	3172	4213	0	5983	4837	2932	27308	18718	0	6886	8013	16180	27131	23148	0	1437	2649	23859	0	19752	0	1587	47061	Phytochemical	0.6086956	0.8695652	0.0
14	C23 H20 O14	521.0926	521.09344	0.1852504	521.09265	22111	20572	19655	17752	49420	18452	4855	2784	47042	28182	19948	5811	74829	15157	8862	3527	2866	40566	36093	15845	28334	65749	10856	5209	1580	0	4343	0	0	0	0	0	4569	1704	42160	2669	3907	8391	3041	11132	21637	8833	0	0	0	25277	57430	0	2336	1865	21254	14316	22354	0	36863	45489	17676	0	0	0	0	16274	92990	39446	16856	53949	14652	4867	0	5283	9443	2148	0	0	2580	1127	0	6322	23683	34248	16863	29387	1844	2618	55909	15962	19649	9624	11499	6827	3118	8129	7119	71585	43746	0	19208	19372	41035	74735	57263	3487	6013	0	42170	5418	37073	0	2867	66738	Phytochemical	0.6086956	0.8695652	0.0
20	C22 H20 O13 N2	521.1038	521.10455	0.11379399	521.1039	2935	3358	2609	0	3467	0	0	0	4153	4478	2164	1078	8863	1969	0	0	0	5063	0	3020	3778	9408	2286	0	0	0	0	0	0	0	1662	0	1919	0	2363	0	0	0	0	1528	5017	1161	0	0	0	8501	21716	0	0	0	2289	3037	3101	0	6849	2987	2182	2129	0	0	0	3001	9268	7325	1449	1704	0	2157	0	0	0	0	0	0	0	0	0	2362	0	4394	1383	9386	0	0	4772	1995	2329	1397	1627	2335	2271	0	0	12945	5467	0	3089	4199	2276	3809	3517	2975	2184	0	15748	0	2028	0	0	4604	Phytochemical	0.59090906	0.90909094	0.09090909
18	C22 H20 O13 N2	521.1038	521.1048	0.29195598	521.10394	5598	2502	2716	3218	6937	2575	1373	0	6050	0	1997	1484	15432	1267	0	0	2474	4743	4553	2108	7038	11720	3898	2549	0	0	0	0	0	0	1496	0	0	0	6138	0	2108	1600	0	5594	5241	1683	0	0	0	11297	35204	0	0	0	0	2460	2405	0	4781	7012	1087	1849	0	1127	0	3746	12100	7250	2285	7852	3005	0	0	0	0	1293	0	0	0	0	0	0	2898	7810	1793	13655	0	0	13451	3087	0	0	0	0	0	0	0	16218	8326	0	0	3151	3507	3838	6037	0	0	0	18973	2289	4832	0	0	12745	Phytochemical	0.59090906	0.90909094	0.09090909
14	C22 H20 O13 N2	521.1038	521.10474	0.221259	521.10394	5579	3913	2582	5719	7883	2401	0	0	10906	4665	3975	0	13577	1534	1870	0	2621	8427	6408	4860	9298	20708	2949	0	0	1741	1197	0	1483	0	0	0	1514	0	6680	0	0	1809	2718	5755	13915	1825	0	0	0	16749	45847	0	0	0	3990	3062	3897	0	12029	8282	2457	0	0	0	0	9249	18651	13293	2313	8899	4293	2286	0	0	1287	0	0	0	0	0	0	1125	1992	0	2134	14727	0	1432	8183	0	2047	2994	2487	0	0	0	2325	19452	11543	0	0	2543	6281	8102	12057	0	0	0	22644	0	0	0	0	10461	Phytochemical	0.59090906	0.90909094	0.09090909
12	C22 H20 O13 N2	521.1038	521.10474	0.18342108	521.1039	3126	3215	3308	2088	6988	1978	0	0	6886	4072	3959	1050	8341	1819	1395	0	0	4168	4068	2568	5493	12019	2100	0	0	0	0	0	1335	0	1036	0	0	0	5625	0	1659	1468	3308	2071	12148	2074	0	0	0	9813	25282	0	0	0	3866	2728	2988	0	8853	8100	2217	0	0	0	0	6524	19422	10960	1300	9378	3326	0	0	0	0	2094	0	0	1461	0	0	0	1363	0	1790	8180	0	0	7915	1654	0	2159	1916	0	0	0	1871	20007	5737	0	2640	3332	5584	8408	8146	0	0	0	0	1313	5683	0	0	14260	Phytochemical	0.59090906	0.90909094	0.09090909
16	C22 H20 O13 N2	521.1038	521.10486	0.34735778	521.104	3827	5400	3689	2986	6402	1604	0	0	5674	2095	3862	1890	15366	1388	0	0	1804	5132	7648	2225	6567	19297	1465	2270	0	0	0	0	2346	0	1223	0	0	0	6796	0	0	1522	2270	7448	11951	2836	0	0	0	16098	45177	0	0	0	3309	4382	4420	0	9427	7250	2332	0	0	2723	0	6807	19630	8911	3518	8911	2065	1952	0	0	2182	0	0	0	2522	0	0	1148	3384	10809	0	19928	0	1683	8619	3789	1475	2994	3456	0	0	2705	0	18589	13672	0	4722	5535	7608	8358	7791	1942	1611	0	27316	0	4326	0	0	16685	Phytochemical	0.59090906	0.90909094	0.09090909
24	C24 H24 O13	521.12897	521.12976	0.32353666	521.12915	28950	13922	20900	23818	24302	19518	0	2308	36832	50666	15840	4810	71168	11262	10012	5436	0	35776	32972	28926	39716	45596	13804	6516	8776	14169	0	6274	4692	0	2806	2308	4010	0	66152	4038	10398	9104	3590	31090	14666	0	0	0	0	62114	87126	0	7038	3742	18104	18948	14244	0	41972	28800	7942	4548	6262	4510	2570	25332	64714	27122	7440	28568	13882	3936	16404	28188	15936	4678	3480	0	0	3386	0	7370	14600	15646	16162	52818	4200	22668	29824	17510	8718	6070	8176	4250	9948	7060	10036	38114	65700	0	13994	18116	27486	23590	24432	6696	3240	6526	46200	5562	33896	0	5416	62940	Phytochemical	0.5416667	1.0	0.0
14	C24 H24 O13	521.12897	521.1298	0.13892259	521.129	76279	77784	62140	70833	68980	48854	23894	36637	84011	173325	81229	27493	111045	32515	32377	44141	20049	88085	83791	117611	105174	185833	46289	37461	19227	31631	23828	42559	23891	25758	31964	34403	38354	26595	199838	28752	34436	43235	21587	75675	77674	30258	0	0	0	156912	212416	0	28423	31395	75114	67007	50207	0	87229	63513	31777	47826	41772	28869	61307	64377	129994	80345	32989	86167	38557	28872	35357	46444	62809	32866	28507	28924	21274	29502	0	28966	55801	92208	46565	131330	21233	39874	68078	48570	49071	30156	37842	42111	33196	49815	43296	138281	134405	0	73581	59738	76869	73045	68895	39166	26884	34323	195910	30461	67136	0	22988	106219	Phytochemical	0.5416667	1.0	0.0
12	C23 H24 O12 N2	521.1402	521.14105	0.16257957	521.14026	28424	31285	24492	25299	22365	10192	13959	26115	28812	53002	27389	13411	36147	8146	17826	17216	17255	34047	33688	48513	60851	82819	20832	19423	9755	6274	8878	10472	19221	8325	15645	16346	23723	15159	83620	14483	21956	16533	18515	52369	82091	15121	0	0	0	69229	122645	0	17766	15547	35628	28578	18813	0	44833	25665	10954	19541	17459	21608	0	45751	57491	31255	13024	33219	16824	26272	0	17356	25692	17856	15700	13807	12953	10942	0	16596	21586	25988	17836	56749	11816	19344	27088	15588	17086	15461	15999	32707	9324	26144	35975	72710	46623	0	24159	25299	20866	24127	24243	19566	12723	21485	84724	19304	19022	0	10092	51257	Phytochemical	0.5217391	1.0434783	0.08695652
20	C23 H24 O12 N2	521.1402	521.14105	0.28211	521.1403	5117	7402	7001	7721	6379	7374	3568	5791	7555	16122	3727	3601	16022	4058	2243	2918	1566	7674	5126	9771	6870	24341	2938	5255	3030	1396	3299	4031	3561	2599	2471	1816	6587	2533	11210	2981	4469	2829	1679	11200	11090	2393	0	0	0	21137	29591	0	3447	4261	10513	7246	6198	0	10225	8723	4292	3091	5003	2491	4698	10041	15003	7831	4277	10960	3448	3158	0	0	3117	4440	5162	0	2875	0	0	4958	6277	10232	3078	20530	3778	0	9482	5316	6679	3995	3773	3530	4152	9853	5698	12118	16425	0	11227	6091	4907	6279	8470	3056	2758	5688	22368	7289	7195	0	6004	16040	Phytochemical	0.5217391	1.0434783	0.08695652
18	C23 H24 O12 N2	521.1402	521.141	0.15707321	521.14026	16085	17672	16158	14323	14633	9133	8749	10649	16429	36719	11754	4940	40574	6713	10566	9913	4722	24285	17809	25873	26950	48064	11608	12169	8189	3696	7021	6173	9133	6618	8385	3019	15653	8233	32827	8367	12260	8559	6106	33060	21997	5830	572	0	0	54598	45525	0	8912	5238	12694	17006	9991	0	24446	16573	6412	8783	12177	5201	10113	23885	32701	13619	8609	23351	9690	4454	3794	7009	7764	12054	5976	5355	5084	0	0	8769	10153	19125	10345	42905	4879	16563	22258	9306	12261	12935	9516	8721	12640	16230	25236	35198	33378	0	13274	15915	12445	13698	16340	9063	7001	9439	39298	12741	13304	0	9001	26539	Phytochemical	0.5217391	1.0434783	0.08695652
14	C23 H24 O12 N2	521.1402	521.14105	0.122870296	521.14026	35282	35942	28243	33847	30285	17628	12447	18602	34291	65198	32402	16982	45992	8802	19029	23209	17557	35250	34768	48372	62122	79968	17788	26746	12902	6807	12554	13282	16211	17328	14849	20075	25821	13093	100922	13499	25361	15264	19542	54412	71647	15891	0	0	0	80748	119706	0	19962	14645	30083	30313	19484	0	55623	25692	14949	22410	21265	17814	28828	52507	62129	41830	11315	32449	18763	15773	0	11155	16809	15142	13685	14648	16924	11139	0	16362	22701	37432	18050	61093	11739	24992	28826	13668	22650	20404	15414	36583	20062	25472	32413	59510	60620	0	28893	31535	17000	26226	26569	22213	13685	29041	102846	23145	21820	0	15506	55136	Phytochemical	0.5217391	1.0434783	0.08695652
16	C23 H24 O12 N2	521.1402	521.14105	0.17850575	521.1403	29310	19796	21268	28048	19400	13771	10683	10363	32185	51224	21138	11243	51616	9340	14189	13841	11323	38439	37996	40949	44936	62762	20892	16561	12616	2864	8042	7155	12227	10273	18379	12287	18359	10676	60422	13853	22485	12549	15707	45644	37787	12449	453	0	0	83764	77276	0	17832	12465	24780	29062	15083	0	42794	27044	11180	13199	12022	8555	15407	37531	49084	30467	12729	34467	14190	9881	10106	14713	13015	13193	12903	12356	10359	8979	308	11075	20329	52412	12744	59224	9862	18680	24203	12504	20021	12970	13384	0	15773	25099	0	47361	61168	0	27747	25211	15911	19889	24510	23552	11075	14600	65106	18604	19027	0	11026	50381	Phytochemical	0.5217391	1.0434783	0.08695652
8	C23 H24 O12 N2	521.1402	521.1412	0.19588809	521.1403	22518	20238	19272	16854	15480	9524	5732	11268	22404	30056	29508	10358	37058	6370	5278	0	15399	17268	22076	22794	38046	49550	12312	17574	2600	3644	6170	10164	6442	9644	8660	8792	10524	7044	52196	8818	12882	5168	12544	28736	45184	10640	0	0	0	36842	84096	0	10382	8022	20514	15686	10494	0	28482	22548	10178	8786	13900	15682	8460	27382	43764	24324	9022	22202	8546	17320	6510	11814	17232	7438	6418	5002	5782	8060	0	8736	10858	12546	8108	28516	5012	8838	22828	8028	11986	10242	10804	21686	0	0	23322	46396	29164	0	21622	16730	16354	22130	26754	11720	7878	11994	20122	11196	15060	0	6736	37752	Phytochemical	0.5217391	1.0434783	0.08695652
26	C25 H28 O12	521.16534	521.16614	0.3162815	521.1655	7302	12503	8996	8130	12271	6831	1524	0	14617	31302	5945	0	24169	5077	6269	0	0	18701	13388	16974	19754	10756	7239	8667	0	8412	2411	6672	0	0	3964	0	4109	0	28607	0	3195	6260	0	14312	8346	0	0	0	0	20713	19213	0	4251	0	9382	10022	7417	0	18560	7878	6025	5704	5392	0	0	11869	18658	10448	3168	14001	4048	4306	9952	23976	13455	4774	4676	0	0	2529	0	3494	11160	7256	7837	13224	2496	7694	9928	0	8085	4427	2732	3439	6286	7545	9127	5519	19950	0	7295	10740	8995	10501	7785	0	3318	0	17168	4727	7438	0	3539	22016	Phytochemical	0.48	1.12	0.0
24	C25 H28 O12	521.16534	521.16614	0.28418136	521.1655	22615	21543	18849	25102	30296	15099	3406	14768	28703	67590	18810	7157	54362	9696	12214	12358	3912	38591	29074	43182	43744	33494	12678	16663	10993	19326	3641	14657	9231	6666	11790	5676	10521	12548	73032	7400	14354	12250	5628	24856	15512	7968	0	0	0	45944	47755	0	10578	9698	29938	22100	18464	0	36030	23450	9327	12375	13865	8057	11674	22016	42740	21823	9932	31283	12374	4949	19137	47179	30354	10769	7104	7680	5870	7700	0	9212	23071	16785	19235	39575	9493	21215	28758	14740	16824	7687	9544	6035	14337	16500	14922	29586	37946	0	23221	19781	23461	19682	20647	8103	7315	11901	34268	7773	22199	0	10396	45947	Phytochemical	0.48	1.12	0.0
16	C24 H28 O11 N2	521.1766	521.17737	0.07109355	521.17664	64238	57461	55586	61773	33668	34673	42190	71624	46550	97030	42141	33879	59703	18849	53814	55416	26038	58817	63253	102250	86546	122704	50252	58271	60481	18956	26775	33001	56009	52009	56264	48962	71475	47529	135440	47734	71502	40504	37033	94455	59180	27925	874	0	0	99602	61854	0	61490	48460	59720	55198	39748	0	66315	39117	26678	64314	61922	25584	69816	59375	62419	46446	20069	51050	37766	33314	15097	43841	32425	55339	47841	45125	31437	47091	0	40788	49564	46131	34709	58153	41220	46314	29506	24273	46008	29946	33864	49600	60949	84542	127234	60824	82892	0	59346	62296	24824	32478	37396	55880	32935	63379	62212	58825	29999	0	38093	69724	Phytochemical	0.45833334	1.1666666	0.083333336
14	C24 H28 O11 N2	521.1766	521.17737	0.065263204	521.17664	78178	74762	65052	73998	41214	40001	42166	75688	47113	133873	52609	36365	71187	19721	54283	66227	40856	62559	65037	111098	100399	145103	50036	77570	53010	20934	37722	47200	63338	54422	60826	74817	76905	52361	166249	55392	81914	47058	45048	120376	82044	36311	0	0	0	126419	94850	0	68943	65156	55993	71025	39346	0	77254	36497	28819	73704	101283	37565	66625	93564	76609	68330	24548	54834	42212	48160	22772	63888	35362	60665	52605	51075	40154	53521	0	48335	61535	55979	45818	65943	40364	55376	39863	31869	53432	37066	37740	72882	79230	89091	115769	76322	95856	0	76680	72964	29683	31621	38608	76392	38973	80775	104758	54772	33708	0	45654	76407	Phytochemical	0.45833334	1.1666666	0.083333336
18	C24 H28 O11 N2	521.1766	521.17737	0.1262931	521.17664	38033	33247	28226	29995	29065	23923	22070	34583	26971	71519	25141	16479	43317	10435	29861	25020	14556	45975	40937	58579	48827	63567	26585	39089	33607	9824	14013	15663	36009	19471	31714	31456	35259	24809	84715	24757	41665	21757	12259	67982	29308	17884	629	0	0	50502	32931	0	34793	21839	33947	32626	21541	0	47449	21367	18366	38901	31192	11177	30272	38129	39633	29858	14523	32112	21546	17259	10068	19562	18035	35109	24431	25655	15103	30877	0	23859	34650	23272	25347	34158	24094	34865	24379	18894	29037	19430	21472	21165	40792	61299	57712	31774	52350	0	34386	30887	17420	17892	17311	31471	19316	31230	32419	37587	19054	0	22878	49687	Phytochemical	0.45833334	1.1666666	0.083333336
10	C24 H28 O11 N2	521.1766	521.1774	0.10376371	521.17664	44984	41967	32212	35759	23632	15208	21889	40047	28341	70048	37424	19859	36647	9740	25968	39296	23531	27933	33317	66983	65992	77021	25778	44291	20335	13823	25529	24080	32213	28643	26019	32106	36694	27964	109160	32795	40072	21439	30110	62739	60605	19201	0	0	0	63490	69218	0	37154	30509	43087	41257	20904	0	35737	23860	10906	43356	33617	29453	32718	40702	41315	28874	13115	31015	14638	38309	15347	31427	27212	28844	29925	26909	23461	27188	0	19224	34175	28546	22348	42364	23955	28851	25505	16669	29148	19255	19928	41054	39600	42117	50221	49800	58114	0	39060	40718	19188	23899	21137	29939	18551	40499	53726	33297	17334	0	22771	44761	Phytochemical	0.45833334	1.1666666	0.083333336
8	C24 H28 O11 N2	521.1766	521.1775	0.10422941	521.17664	17468	25547	19108	22968	10868	9133	11699	21911	17940	41111	20516	11303	25920	6032	13239	19419	12899	16464	18831	33796	35159	47380	14374	19615	7494	4654	7450	6667	19749	11286	11516	17111	16336	12747	63516	14497	16494	11489	13349	39444	36652	9196	0	0	0	34624	40168	0	17347	18170	21056	22047	10640	0	20758	13907	6833	18474	14855	18252	15093	15960	26724	18479	9132	16332	11816	18645	9854	10395	13880	15357	13942	10567	10520	13879	0	9402	17278	18464	11435	19529	11102	15277	14778	7263	14161	10345	10622	23680	14064	23646	24557	25130	37558	0	20708	19948	12069	14244	15344	17061	8868	23881	22799	17229	12599	0	10262	21844	Phytochemical	0.45833334	1.1666666	0.083333336
20	C24 H28 O11 N2	521.1766	521.17737	0.17942661	521.1767	14613	14997	13209	11061	11222	9525	10094	15423	14443	23900	6552	5933	18883	4974	10307	13976	7232	19314	12676	21627	16648	28111	11964	8761	13107	4346	3283	10097	11892	8903	10730	10518	17871	10229	31281	6701	16924	11882	6870	23221	10344	7258	0	0	0	20295	14161	0	9807	11356	14659	16201	10394	0	19850	9909	7085	9467	11390	3900	10650	12726	17356	14048	3395	14646	7096	8449	3724	9094	8329	12516	11724	10035	6485	7449	0	11770	10190	10632	10518	14185	8962	9458	11383	6647	12420	7121	9128	10964	17128	22800	33734	12124	21833	0	14988	11842	5832	9006	6837	11686	7169	9227	18280	13707	11067	0	11033	18243	Phytochemical	0.45833334	1.1666666	0.083333336
6	C24 H28 O11 N2	521.1766	521.17755	0.13777004	521.17664	7726	8360	7913	6316	6170	3121	2676	7929	5995	14297	8589	4159	9240	1890	3335	9637	8751	8722	7712	11209	13615	13314	4880	8900	2222	1422	2832	4708	5358	4819	5777	6153	7487	4156	20364	4984	6171	3944	9908	10550	17573	3305	0	0	0	12077	17822	0	4708	5990	10402	6321	4491	0	7937	6737	3097	7291	3074	7174	5832	7053	12041	7128	2307	8436	4615	7116	3680	3282	7306	3471	4752	2702	2753	5040	0	3327	7006	5099	4567	6243	3460	4835	6331	2530	4040	2393	4156	9588	3918	6557	12026	11759	12367	0	6932	6330	4024	6407	6458	6523	3154	6423	0	5756	4687	0	5155	9154	Phytochemical	0.45833334	1.1666666	0.083333336
24	C29 H28 O9	521.1806	521.1813	0.03759635	521.1806	19819	19809	18579	15052	18423	8156	3594	3020	26694	49584	49571	3785	27541	14517	5439	7207	4854	17269	21537	37316	48378	13210	9763	11825	4805	93839	3051	46130	3472	3775	3187	5817	5684	2612	67562	4431	7081	4566	3154	27053	41031	4820	0	0	0	19718	26482	0	5214	2472	18867	21285	14837	0	24285	21891	10031	7396	7230	5534	11180	26175	30648	19733	9448	20502	11603	4283	97633	91554	124374	3434	2941	3159	3816	3265	0	5294	18274	16947	10421	19054	6355	26781	29323	13259	15535	9063	9128	8257	6742	11350	6956	26680	23190	0	18427	18415	21388	24968	23769	4216	3381	6605	18954	6270	21938	0	7981	22520	Phytochemical	0.31034482	0.9655172	0.0
18	C29 H28 O9	521.1806	521.18134	0.05063862	521.18066	12888	8342	8452	7562	6288	3550	3383	4736	6530	29801	19335	3819	7772	6260	4279	4649	3752	6319	9083	14276	22477	9847	6059	0	5399	51525	3829	15175	0	0	3113	4130	4352	0	26355	0	6064	3674	5434	11628	17090	3718	0	0	0	6664	6575	0	2717	4470	10133	5958	7986	0	7597	7373	4746	5582	3901	4548	5822	8833	12232	5555	4996	6308	5441	4483	32990	46136	60539	2770	4184	0	4331	0	0	3230	8806	7514	8112	10630	0	11415	8300	4815	10088	4627	6056	6184	6499	6059	10387	8152	9410	0	7932	6651	11055	8285	8518	4941	0	5254	3832	6201	7563	0	5220	11204	Phytochemical	0.31034482	0.9655172	0.0
28	C29 H28 O9	521.1806	521.1812	0.07017281	521.18066	4948	3890	3395	2474	4783	0	0	0	5328	8266	6513	0	6446	2868	0	0	0	3024	6073	3471	5221	3668	0	0	0	14819	0	6724	0	0	0	0	1755	0	10089	0	0	0	1876	4537	6679	0	0	0	0	3088	4673	0	0	0	2640	4132	4726	0	3599	3791	1662	0	0	0	0	3492	5062	3207	1722	5868	1559	0	19747	18920	32541	1406	0	0	0	0	0	0	4075	5463	3116	1968	0	4602	7194	2096	3482	1771	2619	981	0	0	2572	3603	3975	0	3613	0	4109	7287	7668	0	0	0	0	0	3663	0	0	3719	Phytochemical	0.31034482	0.9655172	0.0
22	C29 H28 O9	521.1806	521.1813	0.044712048	521.1806	26824	22959	20258	24373	28489	11982	7071	8739	33942	70932	67022	4970	29421	15768	6729	8586	5846	30035	34122	60695	60194	24063	14299	11390	6144	135735	4590	68165	6456	8181	7677	6714	9978	6693	91385	6152	7470	10664	8336	44416	50985	9308	0	0	0	27409	26828	0	7640	6700	26827	24477	23773	0	19895	24551	15364	9610	10215	8605	10460	34329	33628	22824	12097	22707	19240	7011	111061	141580	168562	6889	5375	2891	3417	3638	0	7113	25399	22151	17195	20721	8566	40186	36231	17525	15533	13065	11194	10355	11408	14269	19367	27055	31713	0	21896	27074	32407	26979	18287	6151	6839	6925	18814	10827	24715	0	9959	30261	Phytochemical	0.31034482	0.9655172	0.0
20	C29 H28 O9	521.1806	521.18134	0.06109638	521.18066	23663	16900	18533	15144	24510	11690	5545	6516	29072	54262	57317	6363	13168	14186	7115	6874	5055	16794	22060	46246	54125	19933	8075	10968	7735	97282	6025	42687	5169	4711	7450	5505	12308	3737	66470	7240	7843	8168	6709	37639	32479	8617	0	0	0	21344	26736	0	9166	4402	15733	18533	15793	0	16037	17219	8985	11642	8016	7960	10879	22251	21809	16116	9192	19712	8811	10543	82289	90925	134314	4570	5993	4520	7861	9572	0	3416	14111	15470	10810	12368	4776	35255	27083	12679	16179	7457	11410	14089	7852	11206	12055	16924	19433	0	19576	17192	21045	20491	23548	10470	4880	8332	14404	9898	21295	0	7366	20954	Phytochemical	0.31034482	0.9655172	0.0
26	C29 H28 O9	521.1806	521.1813	0.06453694	521.18066	5727	8787	7499	9016	11239	3857	0	0	12659	22417	24314	0	14975	7854	0	5968	0	6679	9540	17847	20445	8724	0	0	0	53447	0	14970	0	0	3438	0	3921	0	25760	0	3488	0	3175	10239	19273	0	0	0	0	8976	15440	0	2719	0	7539	5142	6364	0	7095	12736	5231	0	0	0	0	7402	15859	7896	4287	9813	6448	0	60063	48366	64998	0	0	0	0	0	0	0	9052	10044	6804	6508	0	12639	19912	0	7073	3829	3180	2872	0	3522	0	14468	8982	0	7409	8687	13015	19873	14204	0	0	0	0	2686	12859	0	0	12889	Phytochemical	0.31034482	0.9655172	0.0
24	C26 H32 O9 S1	521.18396	521.18494	0.396005	521.1842	19176	11057	28282	15744	10125	12936	4197	3769	9053	80520	37902	2525	26878	8530	11890	10992	3504	11817	12769	52376	55798	18719	5788	6791	13018	36392	3202	16642	3759	2106	2689	3091	4646	7830	42256	4258	10942	6920	6351	28447	39004	3617	0	0	0	30588	30966	0	8954	3129	7756	22896	4843	0	10009	3815	4955	12988	20266	10630	4681	21335	7280	9377	2691	6343	12078	2844	33256	73926	21811	2585	3189	0	3848	2407	0	2627	10126	22282	7658	12264	9811	33136	8476	4430	17880	3566	6760	9186	18679	43822	23180	34362	25899	0	24294	18386	4744	4014	6247	10864	2477	7665	11841	14478	6865	0	10754	12993	Organosulfur	0.34615386	1.2307693	0.0
14	C22 H32 O14	521.18646	521.18787	0.8485888	521.18695	11024	11466	9521	13803	8617	9609	10816	13296	19658	38747	12200	7472	10856	5600	13171	13161	12696	11249	22797	41716	51140	19498	11139	13816	15646	31066	9357	0	15884	20632	4953	0	15828	5966	45053	13412	12780	20684	19854	39270	35390	9280	0	0	0	17895	21366	0	13955	7500	9991	13589	6446	0	14141	8597	5268	16337	10700	0	0	8260	9642	7504	9096	4924	8693	17538	0	31422	30754	6972	12067	17716	6032	9827	0	9694	11425	0	10267	21234	12656	26832	8846	3573	20467	6186	5780	15620	14383	19951	37677	13500	34452	0	9284	9040	3954	3991	7504	8051	18120	22897	0	15522	5737	0	10507	13033	Unclassified	0.6363636	1.4545455	0.0
12	C26 H32 O11	521.2017	521.2026	0.13103837	521.2018	32291	41903	32718	40861	13529	12197	28568	41424	17792	106254	32855	23319	13950	6685	22779	41135	41817	16139	24422	58047	92808	48943	24780	45298	20966	34902	29994	30766	28779	36733	27992	35826	38313	26632	98930	33427	35318	25790	41326	64244	44248	15225	365	0	0	75236	45925	0	43609	33989	38772	40559	13062	0	27679	17398	13861	41343	37600	37480	41092	31573	23764	21445	9008	20461	16707	43350	35647	45929	47329	25192	22370	38670	36724	35215	0	26615	40102	19460	35406	46714	26109	42752	21750	15490	34991	10718	14245	43095	18957	28539	34622	22797	31559	0	33982	34939	21365	16999	21390	38191	21612	45387	0	26674	18304	0	25076	17266	Phytochemical	0.42307693	1.2307693	0.0
18	C26 H32 O11	521.2017	521.2025	0.1297472	521.2018	371126	339038	355485	315175	248913	201567	194413	327206	278720	821629	388942	189952	396077	144487	273443	307786	161654	336427	363528	731096	629099	389518	288027	663190	242262	412693	175718	315800	327060	260549	320129	344181	331032	327954	901680	328638	324939	239419	207330	997636	299573	171743	6636	768	275	456246	284241	753	319738	284183	346911	326859	215761	562	376551	233878	159089	314092	304966	151950	296501	627954	382536	290649	146789	280051	209382	212259	321654	644506	500520	293311	260683	306676	198439	311908	0	221862	312391	195008	273901	303887	259438	301112	251306	186265	260238	150556	199833	214509	301965	351997	392855	229704	346363	2214	333122	326603	264242	217455	214516	283524	199313	326111	237392	253989	178318	365	211732	366722	Phytochemical	0.42307693	1.2307693	0.0
22	C26 H32 O11	521.2017	521.2025	0.13517442	521.2018	174244	171667	152471	173689	147678	140814	70497	152336	190702	426792	143559	81473	211255	100492	138691	118453	62289	237213	201954	321362	315899	184843	150393	146450	133292	181872	62182	123452	135866	114282	136472	128477	148023	113839	478529	124614	169812	105952	73792	218468	124827	82106	0	0	292	248658	150663	0	129297	127775	164967	152956	120630	553	241759	126841	80688	138295	135370	55933	128260	152610	250798	176883	71548	162659	103340	79353	158134	373609	234706	143526	118217	124722	71836	115212	0	117204	156937	71456	131682	144924	92538	134163	147624	96981	125797	73846	92200	75931	154765	174476	176787	117955	175854	0	159279	157513	127577	123612	111776	129940	89165	152025	147056	123750	120722	0	97792	263044	Phytochemical	0.42307693	1.2307693	0.0
28	C26 H32 O11	521.2017	521.2025	0.22367246	521.20184	5754	8637	6197	8258	10046	6825	3195	8525	8916	25759	7025	3310	17449	3918	5463	8360	3819	7802	11673	20744	19428	8285	6797	6389	3218	12491	2345	9190	5532	6418	4927	5061	4853	5180	24241	4051	6511	3548	3353	10019	7104	3417	0	0	0	8739	9992	0	8454	7192	7023	6145	8369	0	11124	6126	2309	7044	4863	2036	7638	6272	10953	6392	2933	8245	5545	3515	9882	25059	16189	5651	4170	3696	4915	3988	0	4657	9580	4432	3795	5744	3951	8341	8830	4679	6782	3527	4237	5210	5529	10666	8237	5341	9036	0	6462	6579	5195	6649	8037	5048	4142	6555	4841	4479	5671	0	4273	10847	Phytochemical	0.42307693	1.2307693	0.0
26	C26 H32 O11	521.2017	521.2026	0.21837215	521.20184	22748	17143	19141	20036	20123	17356	2982	19096	24943	59064	16045	10946	44391	12096	17194	18607	7826	32706	32196	56701	53473	21911	18126	20885	16807	25190	6153	13393	10109	14887	11693	10736	16077	10092	59159	13715	20440	12690	6039	22411	16100	8300	0	0	0	30099	26174	0	18037	15036	21732	17325	17321	0	30232	19342	11929	21240	12643	4703	19289	16949	35057	21007	5631	23622	13915	10201	23629	58766	36231	13745	12595	9070	8999	9986	0	6831	25583	8920	18492	17846	11360	14090	21913	16429	15836	10485	9976	10270	18387	23626	23494	14718	23247	0	20935	21464	16763	21274	20813	13298	10417	17507	16764	12313	16485	0	14756	39334	Phytochemical	0.42307693	1.2307693	0.0
16	C26 H32 O11	521.2017	521.2025	0.1164279	521.2018	236037	450158	209723	223862	147778	122615	287234	450452	181543	882286	236377	144793	192701	81216	358160	225719	155200	169804	212665	795526	371469	466854	190572	452568	304686	273947	251996	208259	363588	338318	411464	224877	435510	332972	986588	402110	422182	149631	176739	531908	238554	110353	4099	0	0	498488	216151	0	443892	394684	240620	442182	129102	335	207059	133657	99663	425188	386806	136930	225562	316302	206438	162167	84188	167272	118010	162687	223336	364830	342955	401594	386640	209829	151795	369626	0	279942	226761	129774	192183	189196	345618	211627	161593	109053	195848	107139	126402	224995	175003	395604	263271	157970	418952	916	448344	227871	151117	140287	131768	417428	127719	218965	155228	213498	130590	477	323164	210512	Phytochemical	0.42307693	1.2307693	0.0
14	C26 H32 O11	521.2017	521.2026	0.08025674	521.2018	112698	96269	101763	96931	54786	46690	76918	248452	75348	375450	112325	72053	74693	34622	74012	114487	93542	63181	78313	333766	289712	105751	82901	135559	68869	121532	70350	109821	77547	95043	83768	125833	96367	74349	383092	97711	88253	80388	95357	103869	124770	48465	0	0	0	212556	122482	0	106997	98547	101591	107380	52019	0	79073	54223	46004	112752	119452	90476	121311	148860	68329	76069	39240	67978	52631	98598	130329	130870	162005	164194	86169	105506	83603	91425	0	73802	111042	73147	88985	85422	77628	162466	71081	47741	99047	48413	51224	129824	77267	87433	112863	75703	82680	473	119080	101147	64282	64496	65983	95105	68673	132235	104222	77643	60716	0	81352	74562	Phytochemical	0.42307693	1.2307693	0.0
20	C26 H32 O11	521.2017	521.20245	0.12943575	521.2018	347424	332259	329217	301862	285671	231311	154333	331883	333860	860663	317022	152491	384885	163992	282445	265277	127238	348883	400815	689606	592464	358916	270436	299271	263732	371348	127393	262990	286794	245308	274940	260082	298674	232635	950767	258645	327742	204740	138723	467455	246867	164976	7856	939	380	479309	296965	642	269814	234253	316926	314392	211977	863	406869	236377	155710	296592	292345	117598	267432	285919	423802	290503	136358	306463	200179	155268	283428	683035	415005	282248	244218	270660	152595	238836	695	220338	285534	162603	227199	250981	202099	325696	254784	168788	227008	140381	180365	169494	282914	333824	356654	207389	290113	1980	329394	316553	257162	196317	203251	248523	180686	300525	269899	233276	218476	1226	181618	444410	Phytochemical	0.42307693	1.2307693	0.0
18	C25 H32 O10 N2	521.21295	521.2137	0.05398288	521.213	47295	39195	42588	37707	22063	20296	27872	50210	24552	55365	25991	20986	36116	11566	42669	40711	18624	27323	38623	54422	45456	56939	35887	46961	47260	12072	21344	25420	49613	34653	43926	45877	49179	48341	68880	43791	54305	30375	23720	51167	13998	19608	658	0	0	44928	13181	0	42010	35047	35196	33597	19819	0	38130	20717	17796	48199	50726	15461	44746	30641	28631	26056	11586	28651	25296	18694	9187	27856	11554	40697	32034	39846	23999	35998	0	32490	30977	24713	22566	25034	35742	29656	18322	16091	28654	22619	20732	34170	61902	73926	80947	26001	45841	0	35111	35837	14527	24880	20553	45579	23105	52321	17927	36196	17159	0	31314	40403	Phytochemical	0.4	1.28	0.08
16	C25 H32 O10 N2	521.21295	521.21375	0.04815446	521.213	51553	62397	45843	53531	24443	34026	48186	57229	28010	73140	35570	26279	36508	16979	58564	51613	37045	39861	47159	87049	68759	74816	48803	67852	61918	10848	37819	29840	60026	52664	54471	55897	70343	43349	89001	56463	67324	40551	33116	72123	32734	28885	503	0	0	56299	24228	0	68287	49803	54993	52853	30258	0	43840	30826	23112	63414	70735	22356	78805	46481	35603	32116	15458	35916	30219	28743	14399	41199	20304	56591	46919	53068	32269	43639	0	40540	36374	33191	37008	36556	50187	46232	21667	23600	45697	30317	31187	52169	81193	100767	117054	41832	57716	0	51054	54657	19500	34732	40322	59507	34719	66378	39264	59145	25917	0	43929	32820	Phytochemical	0.4	1.28	0.08
12	C25 H32 O10 N2	521.21295	521.21387	0.12082827	521.213	36377	33569	29003	25574	15700	15860	25880	45568	17048	51865	26428	20034	23433	7960	28400	24502	25215	22002	29186	63012	42338	60919	31227	44682	29926	10418	21926	14696	34384	24490	37299	36244	44470	29742	84605	26942	34224	29360	31493	62020	39345	16037	0	0	0	47093	34152	0	35106	32859	37505	28807	17706	0	31917	16915	13385	41131	31194	24840	29533	39633	24790	19667	9369	22365	14176	26735	0	24738	18282	31341	31868	31657	20271	25311	0	24761	29140	25750	26346	21521	30071	28260	17331	11516	32161	13696	23870	51368	45857	60673	57531	31185	34174	0	26836	26634	14463	15864	19732	44006	23535	37481	0	34145	11257	0	27208	24607	Phytochemical	0.4	1.28	0.08
10	C25 H32 O10 N2	521.21295	521.21387	0.124536484	521.213	27589	23913	22337	19682	9216	12255	17962	28174	14488	40549	16413	13448	20785	8872	16383	28771	19322	15075	20537	43250	35019	45547	19602	31514	14989	7952	15015	13525	23070	21387	21923	29178	29780	19342	59058	21811	34526	14147	16358	38183	24785	11536	0	0	0	30875	28403	0	23471	22602	27139	26643	14749	0	20567	12214	9351	32076	18269	14153	28017	18002	17200	15506	5755	16146	11563	17987	0	15230	10651	24128	20589	17713	15343	21129	0	17219	23836	18361	13113	15318	20100	19860	8328	8443	18711	10972	11760	30429	28551	41275	46988	22552	29789	0	23756	24598	11583	11509	8060	22331	16191	30225	0	23256	8296	0	17393	13829	Phytochemical	0.4	1.28	0.08
20	C25 H32 O10 N2	521.21295	521.21387	0.13597983	521.213	18325	15393	16346	13002	8694	11790	12961	20573	11792	22917	8457	5358	8308	7060	19293	15123	7942	16878	15786	21872	19226	22968	13430	21852	22842	2125	10333	8578	18143	15350	15209	15016	28400	17254	32152	18314	29673	13057	9393	23445	9111	12504	0	0	0	19258	10459	0	19504	14729	14661	21646	12325	0	20601	7919	8462	18061	24060	5892	15602	18028	12862	10767	2839	10859	14307	6455	2699	7654	5487	24406	15102	12250	8879	14261	0	14115	12649	10275	11616	8665	16641	9822	7017	7820	10436	10233	10590	11666	27040	33234	33760	6298	19028	0	16666	17207	8348	9788	7016	23624	9490	21063	9860	27928	8556	0	15088	14629	Phytochemical	0.4	1.28	0.08
18	C30 H32 O8	521.217	521.2177	-0.037212163	521.217	8545	8333	8668	9050	4784	2233	7325	6919	4737	10979	9166	4940	6851	3871	5041	9041	10259	2885	7647	10834	9061	4572	5570	8992	5360	30855	8066	10074	0	4841	4848	11751	6615	0	11717	4074	4337	5591	10416	6998	13342	3903	0	0	0	5281	10406	0	4932	5105	8219	6578	5534	0	5994	4231	4731	8182	3642	6625	5055	5549	6247	5585	2569	6215	6357	11447	18864	23024	32429	4608	6049	5108	6070	0	0	3039	10515	5065	9637	6621	6748	8293	9406	4529	16976	4246	4548	14260	4303	6028	11589	4810	6129	0	11284	7058	6323	8788	5451	11715	5843	10285	3786	5083	7609	0	10067	2721	Phytochemical	0.26666668	1.0666667	0.0
24	C30 H32 O8	521.217	521.21765	0.06020281	521.21704	39365	36107	38543	36261	36802	16595	10274	16687	38909	65824	78573	12314	42819	28425	19525	26721	16910	27765	43442	77209	71595	30844	21638	27630	16789	185621	10778	76464	16020	15929	15729	18026	21408	16179	81170	16889	21458	17301	12743	64801	74974	16948	0	0	0	32809	38897	0	21595	20556	42980	35856	31032	0	37264	36607	17855	22246	16411	14792	24913	41320	34433	27269	17976	38842	27493	20957	148426	152674	190737	18232	13519	13953	9161	14716	0	12474	41480	31836	28565	26192	17294	57052	47210	24509	44322	20988	22640	25089	26772	26055	37654	31792	32310	0	33203	38239	35486	42505	54578	22808	13853	32072	22279	22652	37008	0	22039	35651	Phytochemical	0.26666668	1.0666667	0.0
28	C30 H32 O8	521.217	521.2176	0.09467611	521.21704	3169	3322	4472	5400	5202	0	1575	0	4146	6156	7406	2469	6696	4731	0	0	0	3126	6563	8051	7702	3870	0	0	0	24960	0	9743	2665	0	2322	2274	2585	1256	8734	0	3408	1335	0	6922	10612	0	0	0	0	3529	4121	0	2079	0	4452	3954	4611	0	5900	8015	1945	3225	0	0	4130	4522	5645	3306	2222	5560	4107	1995	28851	20573	32174	2378	0	0	0	2690	0	2228	5226	3770	3946	2377	2042	7228	9717	3025	5781	1506	2335	3600	2470	2118	5109	5193	0	0	2732	4730	3696	14186	11819	3816	1631	3511	2926	2247	5889	0	2187	3365	Phytochemical	0.26666668	1.0666667	0.0
26	C30 H32 O8	521.217	521.2177	0.085644856	521.21704	14676	14099	12599	14663	19227	8061	2754	11642	21055	26093	37210	4566	21471	10954	10380	10369	0	13125	21810	29458	31829	15558	9312	10330	10289	107674	4739	35329	0	7607	7264	6915	8216	5267	34704	6724	8129	7341	7906	30955	39594	0	0	0	0	17077	19479	0	7195	0	14362	13299	15080	0	13609	22704	14501	11294	8412	7618	9312	18557	21037	17968	5362	20434	13843	8731	111210	67421	97682	8437	2942	0	0	4598	0	4406	24531	12926	13394	14312	7535	26149	30659	9417	20171	9013	6353	10995	6864	10166	11526	17731	15286	0	15603	17132	17310	31818	35287	9204	4535	10920	9927	7210	17673	0	11276	15561	Phytochemical	0.26666668	1.0666667	0.0
22	C30 H32 O8	521.217	521.2177	0.07670166	521.21704	45085	44568	35469	37697	35197	17498	17435	25455	42121	58058	70097	14329	29031	27383	21474	34945	19142	24627	37901	81923	69921	30122	29369	29597	18488	176079	19391	66235	21002	20802	18948	19076	24826	18879	74334	22935	22333	18874	27349	62332	69658	20740	0	0	0	32593	38487	0	20978	22393	38476	39485	27100	0	34308	38059	17843	27483	20001	21618	28573	47418	37475	28837	19498	34371	28547	24006	158380	158409	216862	20940	16297	19354	16848	18791	0	17023	48928	30617	30328	25260	24869	46869	50007	26296	49102	22139	21866	37354	29971	34681	32712	35255	35143	0	33875	34738	32344	45601	45014	24740	16756	27891	20657	30782	36928	0	28434	26588	Phytochemical	0.26666668	1.0666667	0.0
20	C30 H32 O8	521.217	521.2177	0.06276501	521.21704	25025	25038	16691	22114	19895	9624	9712	21649	18794	30855	41055	10935	16170	20239	10100	19376	20032	18049	26211	36897	38116	18267	14458	16568	13685	89153	10877	32886	11263	12743	14911	13289	16893	12481	38811	11635	15775	14572	15928	35423	37483	8662	0	0	0	18264	23391	0	16337	13414	23340	22248	15431	0	16555	18137	13953	21010	15175	13151	15313	21962	15893	18819	9174	15924	17350	20286	65425	90302	109174	10515	10703	9699	14546	12995	0	13883	32453	14845	20006	13515	11691	39456	26342	13236	33727	14522	11502	27591	16973	18394	26613	16905	23295	0	26209	25399	20980	24302	22242	14197	8896	19483	11131	14516	15400	0	16987	18004	Phytochemical	0.26666668	1.0666667	0.0
12	C24 H32 O9 N4	521.2242	521.225	0.30053034	521.22437	5776	3697	3729	3764	1178	2370	2779	3909	1775	0	0	1788	0	741	3384	1830	4850	0	1509	0	0	0	0	0	4546	0	2866	11685	5304	2660	5865	4557	3442	0	3244	0	6010	3555	3815	2583	0	1090	0	0	0	4576	0	0	4343	0	2371	0	1866	0	2775	1890	2373	6319	0	0	0	0	1361	2848	1978	2952	2327	0	0	0	0	5760	4009	2583	2747	3013	0	2601	4433	0	2648	0	6320	1650	0	820	4981	1484	2102	5807	86139	32990	10382	7328	2610	0	6757	5091	0	0	1044	0	3637	4290	0	4522	0	0	3896	0	Peptide	0.375	1.3333334	0.16666667
8	C24 H32 O9 N4	521.2242	521.2252	0.18927813	521.2243	10065	7426	5880	6941	1377	3173	3882	6871	1437	3773	2715	4240	1980	0	5955	5830	4637	2156	3152	3284	4060	9915	3890	7057	5541	654	2954	14283	5317	6029	5257	6510	5713	6339	4578	6282	6138	3205	5714	5290	2881	3748	0	0	0	3087	3056	0	7038	3378	5669	7045	1694	0	3071	1342	2024	5886	3490	2568	4611	2004	1237	1823	0	3897	2442	6540	0	0	0	6352	5773	4846	3115	5775	0	2998	4649	18340	3497	1758	3179	2461	0	0	5286	4111	2922	9586	116452	38853	10431	7105	8410	0	5497	5620	0	1147	0	3754	3468	7769	0	8291	0	0	5341	2788	Peptide	0.375	1.3333334	0.16666667
10	C29 H32 O7 N2	521.2282	521.2286	-0.82660174	521.2278	0	0	0	0	0	1184	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1720	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	82022	21397	0	0	1867	0	0	0	0	0	0	1142	0	0	0	0	0	0	0	0	Phytochemical	0.2413793	1.1034483	0.06896552
8	C29 H32 O7 N2	521.2282	521.22864	-0.5840649	521.2279	0	0	0	0	0	1741	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5226	0	0	0	0	0	0	0	0	0	0	53847	24515	0	0	1474	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.2413793	1.1034483	0.06896552
22	C27 H36 O10	521.2381	521.23883	0.10433584	521.23816	362358	356345	334042	358433	291271	254868	182324	379696	393661	781983	322411	175231	372538	190798	320385	286754	163836	418858	434660	739065	618455	358605	319693	348424	332385	411625	169736	342560	375657	273144	328042	343894	387506	295723	931143	332247	430015	267976	171247	427924	218231	200921	6635	0	0	355819	190374	0	306554	294055	349344	357342	258812	1325	494083	286611	171484	351399	343892	129671	315822	270090	456734	363020	160427	319015	237422	185551	312294	802710	457691	334576	279415	306375	170356	292810	0	268245	304699	142729	277110	208684	250665	255278	303600	216405	303919	163568	236239	194211	377140	437785	422383	205052	310445	0	339020	345445	241469	239149	224476	338419	214855	361201	209435	301793	243602	0	223677	487143	Lipid	0.37037036	1.3333334	0.0
18	C27 H36 O10	521.2381	521.2389	0.08489683	521.23816	263679	252568	235631	211727	169960	127630	175725	270149	188636	342207	230827	160989	226255	95115	207761	274694	199760	193770	249855	395481	340377	239749	238222	289683	180656	285300	175296	203647	264345	232341	237718	259840	266592	232685	367472	267899	270642	182576	231044	229958	196037	138916	3780	506	624	207062	181516	455	267061	229598	240398	244029	152696	690	274311	181954	127612	274668	195927	146973	253348	155986	229084	196121	112607	201456	154748	253134	235902	354070	368407	205649	185562	247715	225143	247630	0	180929	275458	135411	233411	156054	202911	171416	227546	147036	248453	132155	141348	231662	227992	282974	292353	131775	190053	1311	236271	241338	164024	190950	178636	244080	160011	279960	122363	221205	145937	859	205401	205179	Lipid	0.37037036	1.3333334	0.0
20	C27 H36 O10	521.2381	521.23883	0.10597365	521.23816	405976	387860	414314	370366	305460	256194	219740	412581	380659	759895	362636	224311	395917	192709	361956	372635	235435	373438	444118	692697	617077	380412	331465	405566	321265	474820	211564	375186	393585	354841	346403	352263	410074	316867	807686	359905	425644	287391	257447	425125	296151	226130	7895	1400	441	355291	253470	533	372344	321776	385577	378999	270164	1083	489886	287822	193175	404081	357588	184579	378378	273038	416019	370319	176993	333715	242236	279762	375409	723820	548890	343740	335647	367152	248343	323194	356	286938	421537	195530	317114	203387	316059	354474	313635	225944	357897	189151	243639	275307	395459	445481	490682	208199	296979	2137	378453	375091	259513	291372	286495	387691	250578	420863	232171	346050	271837	1187	255490	434259	Lipid	0.37037036	1.3333334	0.0
28	C27 H36 O10	521.2381	521.23883	0.064849176	521.23816	10640	11495	11005	9991	15537	8248	5278	9121	13828	29801	10754	3392	21706	6989	7292	10168	5093	16615	20968	26684	28305	9993	8831	12259	6611	17964	6006	13452	12535	9104	8949	7683	13744	10387	31954	10647	11877	5734	7549	13867	10656	6255	0	0	0	12117	5085	0	10672	9771	12149	8374	8625	0	13982	10056	5718	11006	7259	3896	10134	7756	16620	12106	4287	14261	8972	5829	17032	39970	29524	8014	6987	6766	4930	7905	0	5928	13421	5134	8321	5188	7926	9132	15671	7918	12080	4353	5347	9321	12188	15074	12659	5954	8024	0	11065	12327	8302	8936	11984	12885	3860	11199	5369	8854	8429	0	6157	14830	Lipid	0.37037036	1.3333334	0.0
26	C27 H36 O10	521.2381	521.23883	0.061294194	521.23816	39736	39880	44313	42291	48967	36359	21359	42807	51129	91629	37058	58993	76645	24002	37422	30559	20371	68201	64647	93566	91358	40458	36698	47152	35218	59315	37404	37030	37451	29020	31631	34179	45415	33836	104999	43560	55216	32184	25587	53016	32878	24121	0	0	0	43350	23474	0	36533	33667	45445	38799	32954	0	70500	48331	25037	38583	32140	13621	43743	31026	66007	48504	19004	44738	31942	21281	62612	114468	91943	37949	36203	34970	19805	31074	0	38508	49602	18114	38693	21880	26110	33417	43903	23380	40889	18449	21561	25391	39297	43799	59491	24070	40417	0	44255	50573	31589	40174	40584	37873	44233	37192	22239	24938	30322	0	21823	68749	Lipid	0.37037036	1.3333334	0.0
24	C27 H36 O10	521.2381	521.23883	0.099082224	521.23816	150383	152030	153138	158115	139678	122722	73364	146712	182980	353060	124867	73113	246680	82026	141960	124320	62074	212990	260208	344571	268237	171361	144775	154153	136629	176113	62297	123744	148144	119788	136565	135030	161639	119904	444886	136986	208923	100896	79386	197158	89675	82158	2489	0	0	168128	93729	0	143583	122421	166522	153672	122842	0	236944	126195	75389	140404	144132	49860	135866	119384	230571	174151	59914	166399	100550	71645	152680	378437	227710	146824	126985	125399	69305	106828	0	108609	148771	54410	121267	95597	94234	107179	151461	91593	124869	67446	113093	85631	160698	181102	207784	88803	150992	0	156726	154255	103395	116042	115998	142236	83317	152975	94331	125660	108439	0	83269	230187	Lipid	0.37037036	1.3333334	0.0
0	C21 H36 O11 N4	521.24536	521.2465	0.17323495	521.2454	5418	0	7785	5019	0	0	0	4605	1959	0	0	0	0	0	0	0	0	4044	4800	0	0	0	3543	6936	0	0	0	2317	7422	0	6693	0	19245	21264	0	6417	6210	0	5376	0	0	3657	0	0	0	0	0	0	3741	0	0	0	4290	0	3246	0	0	0	0	0	0	0	0	0	0	6129	0	3927	0	0	0	19953	17700	0	0	0	0	0	0	2790	0	0	0	0	0	0	0	12714	4992	3624	0	0	4827	0	0	0	0	0	0	0	0	6756	0	0	0	7185	0	0	0	4593	Peptide	0.52380955	1.7142857	0.1904762
20	C26 H36 O9 N2	521.2493	521.25006	0.14513479	521.24945	11690	10328	11971	10799	5282	5365	10743	12606	6228	11355	3155	6871	3192	4383	14528	16364	12337	5041	9412	11680	10500	20787	11203	17285	17422	3076	10507	6293	13166	11022	14995	14257	19946	13960	14053	11386	18451	11125	11716	9618	6252	8490	0	0	0	7499	4107	0	20814	13177	12573	9977	5609	0	7555	4635	3081	17656	20778	3991	14229	7924	3558	7933	3435	5626	9150	9488	2728	6127	0	10868	15329	13880	8847	13561	0	8226	12176	5664	7512	6915	15029	0	4984	3983	8098	8614	9318	15908	26388	29149	33052	3271	10271	0	11301	9007	1990	2325	3114	17358	6918	19479	4692	21979	3463	0	15140	11260	Lipid	0.34615386	1.3846154	0.07692308
26	C31 H36 O7	521.25336	521.2541	0.025555119	521.2534	34960	34439	34421	28864	27882	18101	11267	27838	28735	30220	54495	15696	32986	23560	22006	25376	20780	17579	31821	57172	51744	32825	26229	35292	37204	125430	9871	53339	24019	28962	30887	19119	28504	23736	42407	32721	33967	19249	20367	42083	52490	21534	0	0	0	34440	25090	0	25841	27556	33189	29585	23030	0	30300	34582	18816	34138	26705	13449	41127	32827	23436	23396	14652	28670	26000	24637	132509	85166	110514	21573	23419	25907	18747	26348	0	18425	35848	27642	30798	24837	20819	46128	41994	25516	43058	22070	19092	24396	24927	23228	43097	30331	28116	0	33730	32946	21556	42087	45291	35063	15099	37163	17473	25832	30957	0	24891	18160	Phytochemical	0.22580644	1.1612903	0.0
20	C31 H36 O7	521.25336	521.2541	0.049895015	521.2534	10173	14143	15626	11440	10354	6177	14263	14550	12927	9864	16138	10779	3004	10930	16189	19250	17251	5262	11616	18155	12177	7548	9230	15317	12999	30012	15877	12198	13394	18117	9188	11466	16721	11492	10829	10657	14071	16603	22901	10311	21908	10177	0	0	0	7611	11026	0	17149	11551	15653	16419	5250	0	12278	9695	10657	18409	7565	15725	13102	7374	6077	10948	9990	7473	8713	28443	20610	29716	31710	6154	9609	12180	19867	13023	0	11025	23185	11981	19274	9389	15306	12925	11202	7459	28312	8321	8489	27434	11673	14227	18880	6050	13669	0	16672	16426	6722	15958	13386	11861	13728	16234	7896	13588	5057	0	24055	5466	Phytochemical	0.22580644	1.1612903	0.0
24	C31 H36 O7	521.25336	521.254	0.024291437	521.2534	51907	49933	42344	46749	39833	23971	24545	46247	42667	45353	74264	28117	35571	27098	35093	51991	42633	33028	52981	77935	75301	45328	37816	47027	36726	173131	25290	75789	36910	41183	36774	40827	46820	28650	72943	38280	42458	34327	40196	64135	77329	33071	0	0	0	39692	39088	0	42674	40563	51526	50344	35855	0	39185	40938	27381	47173	34401	28180	51112	44034	37158	35329	23373	42851	39006	46665	141975	127723	160173	29896	30368	32735	28983	40435	0	34684	57438	34773	38837	25985	35770	61770	48062	33175	74115	28634	32442	54246	45711	48723	61382	35748	45646	0	43569	44592	36677	41583	52371	48518	23052	52803	26980	48815	41792	0	47611	25734	Phytochemical	0.22580644	1.1612903	0.0
28	C31 H36 O7	521.25336	521.254	0.03148085	521.2534	6806	6544	6494	5445	6830	2785	3521	5426	5117	6270	9010	1252	10729	4083	3530	4737	3478	3317	7403	7982	7320	6488	4561	5694	7051	29629	4191	9637	0	4490	4025	3585	5543	4949	8984	6030	4417	4687	3647	9521	10331	3426	0	0	0	5866	4568	0	3988	5241	5857	5746	5305	0	6608	7502	3692	5792	2399	2813	3830	6877	3971	4090	2461	8175	5169	5379	28076	17162	30487	2853	2132	0	0	2739	0	3180	10077	7628	5047	4845	4002	11249	8743	2593	11514	3257	4199	5950	5135	6684	8296	9759	5445	0	7126	7140	5425	15123	16238	5850	2729	5944	3668	6983	6682	0	4078	3319	Phytochemical	0.22580644	1.1612903	0.0
10	C25 H36 O8 N4	521.2606	521.2615	0.154128	521.2607	2311	3592	2517	3418	0	1709	1260	2428	0	0	1188	0	0	0	1014	0	0	0	0	0	0	1447	1219	0	1714	0	983	21548	2578	1742	1340	0	2128	1243	0	0	1776	1749	0	0	0	0	0	0	0	0	0	0	0	929	0	3177	0	0	0	0	0	2236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1081	0	1750	0	0	0	21809	0	0	0	0	0	645	0	0	850	0	288416	101956	2748	5963	1500	0	3527	3354	0	0	0	0	0	0	0	1518	0	0	1528	0	Peptide	0.32	1.44	0.16
6	C25 H36 O8 N4	521.2606	521.2615	0.3090251	521.26074	1435	691	0	0	0	1380	607	0	0	0	0	0	0	0	613	982	1040	0	0	0	0	886	0	1557	1461	0	0	9604	1422	1092	1015	1405	0	795	1243	840	1013	776	0	0	0	0	0	0	0	0	0	0	1571	619	1390	729	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	656	795	0	0	0	0	524	582	44040	695	0	0	0	0	0	1230	0	0	1960	43369	16506	2872	3037	0	0	0	1081	0	0	0	994	0	0	0	749	0	0	0	0	Peptide	0.32	1.44	0.16
4	C25 H36 O8 N4	521.2606	521.2627	0.5032918	521.26086	0	0	0	0	0	0	3035	0	0	0	15723	0	0	0	0	466	0	0	348	0	0	0	517	346	0	0	10748	11735	0	545	0	0	0	0	0	0	0	519	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	361	0	0	0	0	0	0	0	0	0	41162	0	0	0	3824	0	0	0	361	694	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	929	1330	0	744	0	0	0	0	0	0	0	0	0	0	0	3283	491	0	0	412	0	Peptide	0.32	1.44	0.16
8	C25 H36 O8 N4	521.2606	521.26135	0.28899235	521.26074	12690	10398	11307	14694	1992	8865	0	5079	0	0	8136	0	0	0	1869	0	0	0	0	0	0	0	0	6309	4209	0	0	106851	6105	3378	3954	5616	5019	2808	0	0	6981	4518	5901	0	0	0	0	0	0	0	0	0	0	3765	13977	10611	0	0	0	0	1593	4272	0	0	0	0	0	0	0	0	0	7668	0	0	0	3714	0	3120	4059	0	0	0	3378	170623	2574	0	0	0	0	0	5025	2283	3228	5391	926010	408310	10884	20883	9357	0	15279	12156	0	0	0	4176	4320	5367	0	0	0	0	4062	0	Peptide	0.32	1.44	0.16
26	C28 H40 O9	521.27454	521.27527	0.06695334	521.27454	86870	80283	87657	78749	94634	61237	46268	99878	101635	128696	74009	42115	108892	59329	84049	83316	45830	104397	151084	161214	146423	82529	71059	93719	101251	106560	43019	74431	111059	85924	82156	99486	115484	77578	192296	101471	147104	65887	46643	104202	48786	66119	0	0	0	86704	39725	0	101322	72693	92708	71737	78443	0	157247	109840	50962	101871	88505	31241	83941	66233	122730	99296	29262	94002	74682	52198	98150	188461	114209	71974	77681	92808	50025	77566	0	59666	86639	42680	65420	45798	69313	66155	95159	74299	82974	42772	65999	48941	104909	124489	136379	48890	80380	0	90653	108018	62340	93731	93438	117391	40477	105744	57511	68400	75764	0	58881	111393	Lipid	0.32142857	1.4285715	0.0
16	C28 H40 O9	521.27454	521.27527	0.051105823	521.27454	15619	15370	14957	18794	9337	9082	24081	23915	12136	10505	8661	17698	11036	6508	19371	23465	34397	9112	14682	9754	11393	10612	19326	21194	18867	7195	21772	8080	21645	24801	18930	21749	19874	9437	11813	24270	21678	19014	34013	5733	8959	8246	0	0	0	9330	11844	0	25685	20319	19520	23889	13181	0	16203	16542	11285	20789	8718	14717	23187	6359	19403	16031	12357	13500	11477	31856	12768	8883	14397	12037	11667	28462	24531	19710	0	17163	25854	10902	18450	9618	14049	6120	29476	14881	27493	5158	11595	31353	16851	16610	0	5837	12826	0	15197	17904	10267	23955	33782	22352	10790	16630	3439	15487	20120	0	19186	12793	Lipid	0.32142857	1.4285715	0.0
28	C28 H40 O9	521.27454	521.2752	0.031151673	521.27454	13834	13087	14351	11715	16680	6368	11822	12666	14571	19158	9744	5878	22821	7904	8361	12448	8619	12160	25872	20184	17969	12702	13769	13726	10621	24034	11590	13434	18223	14959	12344	12208	20339	11224	24930	17751	19998	8828	9686	14060	8214	8393	0	0	0	7549	7101	0	13221	11978	15144	12656	12717	0	23451	16589	7320	14286	10246	4738	12184	6712	17206	15349	6611	16158	13110	9950	19727	37095	28830	8252	8575	12201	7458	10425	0	10305	15361	6081	8190	6472	9889	7276	18429	10035	16100	7594	8948	11496	17499	18447	17158	5960	8497	0	12948	14421	11118	19159	22080	17693	8304	19911	5353	12410	12694	0	8775	17181	Lipid	0.32142857	1.4285715	0.0
22	C28 H40 O9	521.27454	521.2752	0.039386272	521.27454	237806	238932	222190	232598	219133	157262	175492	246873	242783	318573	195465	144800	224713	132492	225800	252934	173976	279652	307109	362437	291836	219665	222001	232037	213625	234388	164356	205556	269547	235924	217849	278809	299529	205409	374467	260708	294588	185727	189321	219879	149931	149320	3734	0	0	182094	131558	0	256430	207471	248031	220786	194535	753	333692	236123	142675	259757	212021	126257	249170	139668	295352	255667	133174	231200	187141	188149	202299	372647	296903	197249	190563	219715	176743	216904	0	179350	257995	123732	217512	131957	209938	153845	264913	180051	269549	135408	172806	187681	263242	290143	283871	129875	194564	0	228629	241984	168719	244297	240386	304466	143311	279410	122393	218100	213875	0	179232	274277	Lipid	0.32142857	1.4285715	0.0
24	C28 H40 O9	521.27454	521.2752	0.08000736	521.27454	227619	208131	211317	211383	211846	154760	134501	218368	248213	348129	193739	113983	297128	125424	195784	198886	116990	270270	381757	382156	319655	207632	186332	209350	189587	234559	121472	203937	242016	195211	195838	213858	280331	171402	477508	224658	304140	174953	131974	244159	122670	135720	4563	0	0	178207	106650	0	226551	164210	207025	209023	177721	0	390711	215819	122110	231133	205413	87823	221272	153381	295031	244506	105138	233826	162655	127919	192162	426085	263226	195174	186235	197977	122385	181959	0	155426	223574	105494	174266	119754	173955	144454	246009	155244	214102	117087	171755	129812	271133	283017	294087	127800	199992	0	221344	217864	147632	199372	217063	252629	115629	249637	117217	196437	174219	0	139105	275311	Lipid	0.32142857	1.4285715	0.0
24	C32 H40 O6	521.2898	521.2904	0.005315199	521.2898	26315	32027	22338	26496	11220	7685	21384	31023	19038	19749	34914	18687	10858	12416	23844	38019	47865	8113	26383	29364	25197	12518	20906	29185	27758	57825	23530	30232	21432	27470	26091	29077	34763	19653	23341	36252	32250	21614	46444	23910	42265	15422	0	0	0	14274	17414	0	31327	31417	29344	22829	14759	0	22123	21048	18141	35010	19244	26884	28125	17470	13543	14964	14589	13032	21512	58758	48050	39774	50775	16474	17651	26750	26570	30721	0	17968	39768	23929	27790	12406	24246	24284	26680	17381	35315	12100	19248	45521	18474	21928	35051	15907	18690	0	23987	26721	13867	27016	30490	40397	19619	40281	11652	24217	20324	0	29889	8984	Phytochemical	0.1875	1.25	0.0
22	C32 H40 O6	521.2898	521.29047	0.061197482	521.2898	11884	12591	10328	10309	5913	2709	15070	13170	5996	2770	9687	12340	3980	6392	12639	14944	37223	4087	7463	4120	6943	7240	10652	11932	11336	21180	13772	11201	8910	10693	13216	11440	11356	6561	6183	11414	8493	16021	36093	9493	15644	7223	0	0	0	4981	8404	0	12734	11371	11235	12486	4447	0	5757	8174	5676	14091	7923	12659	10474	4717	4571	4883	5523	4616	9426	36742	13270	8221	22476	6329	6691	10697	15827	15200	0	8591	20481	6911	13615	5557	11554	6754	9406	7888	18366	5623	5822	23329	6537	10465	14555	5012	3417	0	11062	9255	8354	15058	10429	17463	11265	8809	3933	14448	7088	0	14461	2393	Phytochemical	0.1875	1.25	0.0
26	C32 H40 O6	521.2898	521.29047	0.008527737	521.2898	29277	31516	27428	22252	18147	9484	19942	30551	21021	15507	42321	17130	14687	18417	36692	41585	41535	8726	31442	35245	23719	23853	19738	27894	28539	78378	19507	38316	32915	39806	29062	31388	37195	24072	21169	47393	40954	22446	38080	35622	34860	21074	0	0	0	21326	15685	0	26202	42456	28845	28175	18346	0	27835	31692	14855	32181	21836	24436	32798	18585	16968	18123	12658	20690	21687	41859	82857	44651	54132	19426	25376	38281	20964	30769	0	22312	36312	21370	26777	15936	30081	33352	36608	19741	38149	19245	18886	39246	21983	24329	44177	22217	16201	0	32616	28427	18440	41483	47099	48116	16957	38248	12966	26084	26174	0	33219	12367	Phytochemical	0.1875	1.25	0.0
28	C32 H40 O6	521.2898	521.2904	-0.006249876	521.28973	6232	8609	6742	8890	4040	2023	7234	10165	6228	3800	7541	4538	5243	5544	7859	7872	10207	3451	5801	6898	5529	7720	6764	10423	13110	23143	11335	9319	11350	8947	7937	8613	14929	7033	4889	12589	15017	7218	13308	6886	6670	6748	0	0	0	3496	2347	0	6083	9113	6937	6989	6062	0	4595	10261	3960	10250	5003	3953	7421	3949	4118	5296	3498	6038	8468	17297	15904	11384	13735	4425	10504	10812	4537	6657	0	5241	11238	5081	5402	4147	9924	10797	11591	5008	12505	4071	2994	9300	6149	7555	10293	4007	3601	0	4950	5692	5030	17980	20167	13465	4659	10786	4897	11836	7439	0	9159	2859	Phytochemical	0.1875	1.25	0.0
18	C26 H40 O7 N4	521.297	521.2977	0.16085626	521.29706	3461	0	0	0	0	0	0	0	0	0	1937	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5399	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1895	1607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25656	0	0	0	0	0	0	0	0	0	0	587120	117788	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26923078	1.5384616	0.15384616
12	C26 H40 O7 N4	521.297	521.29803	0.34875733	521.2972	0	0	0	0	0	2255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17027	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	101398	0	0	0	0	0	0	0	0	0	0	96770	43574	0	5981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26923078	1.5384616	0.15384616
14	C26 H40 O7 N4	521.297	521.29785	0.21680385	521.2971	4219	4967	4648	2827	0	3892	0	0	0	0	2366	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68056	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6091	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	174597	0	0	0	0	0	0	0	0	0	0	874494	241676	0	15185	2376	0	4138	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26923078	1.5384616	0.15384616
28	C29 H44 O8	521.3109	521.3116	-0.005980454	521.3109	13398	12374	12598	13173	16292	5646	25009	15092	17232	9572	9451	5536	18621	11462	12612	9918	11118	13934	26415	14524	12479	10297	9903	12021	23786	13855	17264	15878	20516	16391	13578	15770	22918	12787	18210	21065	25399	12137	11742	10365	5902	8890	0	0	0	10275	2787	0	15637	10650	12844	13026	14514	0	29501	21880	8640	18861	18672	5255	18412	9862	14661	13743	7584	18938	15475	12507	9656	15381	12648	9788	11819	15956	6366	12113	0	8463	19373	8753	12049	8332	17386	9841	23808	13619	25269	7561	9629	14015	17990	22175	24540	10305	7353	0	13192	12802	9121	24293	29388	23492	6584	17650	12397	16260	19446	0	14044	13704	Lipid	0.27586207	1.5172414	0.0
20	C29 H44 O8	521.3109	521.3116	0.018354058	521.3109	14974	15049	16211	15104	15859	6434	25373	18117	12674	6533	5920	21683	11353	15382	17254	27347	37122	19035	18024	6628	4566	9221	12167	14886	14310	3809	25268	7925	28765	35325	24350	24860	23425	15141	2452	33211	23160	18716	38335	2113	8323	9781	468	0	0	4517	6190	0	43965	20753	18455	13847	11909	0	26033	22698	14697	28410	7721	11860	16852	1843	19045	17929	15044	11514	10624	39417	3264	5464	4093	10505	13200	22284	47592	26716	0	12658	27668	8254	15330	4086	17641	0	36964	14585	27520	6889	16474	29443	14387	13969	15694	2910	4723	0	19211	19463	11971	34193	39097	21996	15046	24386	7896	18246	22435	0	22776	13915	Lipid	0.27586207	1.5172414	0.0
26	C33 H44 O5	521.3262	521.3268	0.032344453	521.3262	7386	8106	6198	8125	0	0	18580	6256	6917	0	6395	6253	0	3831	9736	17492	21384	0	5414	0	0	2518	0	5904	10515	13694	18965	4916	11588	13495	8792	10443	9226	3561	2075	17536	5797	10088	20315	4494	6396	0	0	0	0	0	0	0	6719	11858	8191	5349	4989	0	8874	10798	6249	11148	4712	6248	7819	3407	2558	4653	0	0	8034	26417	5881	4936	6596	0	2815	14563	8817	11011	0	5760	14799	7363	8838	3807	7446	6257	9069	0	22383	3259	0	20514	5641	6506	13233	0	0	0	7122	5444	5065	19314	18663	15246	5155	11103	0	10852	6328	0	10544	1946	Lipid	0.15151516	1.3333334	0.0
6	C30 H45 O4 N2 Na1	521.33496	521.33606	0.49138883	521.3352	2339	3590	1266	4488	0	0	2720	0	0	0	6369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18317	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2783	3543	0	0	0	2962	14319	0	0	0	0	0	0	0	38339	0	0	0	1552	0	7812	0	0	0	1137	0	0	0	0	0	932	0	0	0	0	0	0	0	0	3494	0	0	0	1644	3588	0	2089	1090	14116	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.13333334	1.5	0.06666667
4	C30 H45 O4 N2 Na1	521.33496	521.3362	0.50287646	521.33527	3370	1926	4712	2298	0	0	7628	0	0	0	58178	0	0	0	331	0	0	0	0	0	0	0	0	0	0	100183	187017	78744	0	0	0	0	0	0	0	0	0	1590	0	0	0	0	0	0	0	0	0	0	0	0	3285	0	0	0	0	0	7342	0	0	0	0	1315	0	0	215082	0	0	0	549813	0	37848	0	0	0	6340	0	0	0	0	192104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4694	4464	0	0	0	0	0	0	11784	0	0	0	2100	0	Lipid	0.13333334	1.5	0.06666667
24	C30 H48 O7	521.3473	521.3479	-0.03177828	521.3473	14280	10962	11556	10345	8960	5939	45609	12334	6918	0	5344	10059	7687	9442	10627	20610	36272	7151	14108	2945	0	5871	6867	5503	15960	4994	37289	7021	11285	17724	9968	16694	15548	10113	3997	17178	15905	11863	37534	1830	1845	8003	0	0	0	2689	3281	0	17539	12717	11204	10901	10667	0	14528	11413	9522	20423	3959	11270	16372	0	5100	5721	11040	8143	14670	40964	0	0	3828	5677	9870	17698	22571	13202	0	7124	14676	5925	10193	5732	16903	9188	19844	25366	22062	7097	7171	38782	17470	14811	18294	3976	4321	0	11198	13450	9176	17849	24260	21708	8834	11361	4299	16359	16480	0	16014	4812	Lipid	0.23333333	1.6	0.0
28	C30 H48 O7	521.3473	521.34796	0.07243945	521.3473	5749	7331	7913	7566	6166	2419	47489	8076	5566	1244	5394	3825	4199	7563	9880	12696	80339	5425	9794	4512	2327	2698	6973	4313	13591	3570	33778	7998	15795	15924	8777	11251	13496	9462	2182	16943	10155	13170	55505	2628	3160	5817	0	0	0	2638	0	0	14394	9088	8679	8800	4401	0	9018	8740	5305	10282	16800	4401	11007	6641	3149	5537	6006	9037	10835	63710	3148	2971	0	5537	6296	12249	7489	9926	0	7144	7106	7583	4075	4461	9415	7709	11871	7781	14430	4358	5325	11739	11123	12896	7064	6856	0	0	7601	6583	4446	13259	16435	19792	6211	17864	13924	9914	9181	0	9719	3305	Lipid	0.23333333	1.6	0.0
26	C31 H52 O6	521.38367	521.38367	-0.047503915	521.38367	0	0	0	0	0	0	27098	0	0	0	0	0	0	2391	0	0	6550	0	0	0	0	0	0	0	0	0	20112	2211	0	0	0	0	0	0	0	0	0	0	4981	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5002	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2654	0	0	0	1872	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.19354838	1.6774193	0.0
28	C31 H52 O6	521.38367	521.384	0.35388702	521.38385	0	0	956	0	0	0	24400	0	0	0	2341	0	0	2801	0	0	0	0	0	0	0	0	0	0	0	0	18653	1726	0	0	0	1192	1228	934	0	0	3132	1293	2009	1123	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	776	0	0	1871	0	0	0	1095	0	0	0	0	839	0	0	0	0	0	0	0	0	1292	2221	0	0	1259	1286	0	0	2402	1011	0	0	2632	2943	0	0	0	0	923	0	0	725	1665	0	0	0	0	1478	0	0	0	0	Lipid	0.19354838	1.6774193	0.0
26	C22 H19 O14 N1	522.0878	522.0887	0.16514526	522.0879	4134	3238	5097	6078	7938	5244	0	0	11117	4240	0	0	27360	5128	0	0	0	16472	13026	0	8550	13296	0	0	0	0	0	0	0	0	0	0	0	0	7763	0	0	0	0	1934	5253	0	0	0	0	7240	30820	0	0	0	5637	3561	5805	0	15664	11446	0	0	0	0	0	3562	24079	11065	2423	11215	0	0	0	0	2063	0	0	0	0	0	0	0	2083	8159	3154	10482	0	0	13976	0	2500	0	4045	0	0	2349	0	10123	14277	0	5116	6168	9263	7910	7791	0	0	0	20171	1528	8864	0	0	24194	Phytochemical	0.6363636	0.8636364	0.045454547
14	C22 H19 O14 N1	522.0878	522.0888	0.21770544	522.08795	2951	6028	4226	4432	11985	2303	0	0	17212	5861	5033	0	21099	2142	1308	0	0	9396	5930	3779	8572	23336	4996	0	0	0	0	0	0	0	1217	0	0	0	9442	0	0	1185	0	1749	11936	3552	0	0	0	10041	39744	0	0	0	3922	3710	4155	0	13526	18912	4385	0	0	5855	0	6173	35071	11689	5251	12358	2524	0	0	0	2206	0	0	0	0	0	0	0	2799	15479	2364	11070	0	0	22288	4518	1678	5560	2367	0	0	0	0	31059	12156	0	4809	5996	13501	18333	16700	0	0	0	29097	0	15581	0	0	21924	Phytochemical	0.6363636	0.8636364	0.045454547
12	C22 H19 O14 N1	522.0878	522.08887	0.25950676	522.08795	0	0	2816	0	6287	1320	0	0	9156	1507	2099	0	13690	1024	0	0	0	5462	7269	0	6746	7457	1462	0	0	0	0	0	0	0	0	0	0	0	3722	0	0	0	0	1789	0	1419	0	0	0	4187	19091	0	0	0	3990	2430	2876	0	5092	6909	2155	0	0	0	0	2260	20473	7091	2816	8108	1868	0	0	0	0	0	0	0	0	0	0	0	1129	0	0	2975	0	0	10091	1381	2603	1541	1389	0	0	0	0	18154	4616	0	1694	0	7533	10335	10330	0	0	0	0	0	5882	0	0	14197	Phytochemical	0.6363636	0.8636364	0.045454547
24	C22 H19 O14 N1	522.0878	522.0886	0.20774886	522.08795	5675	5677	2387	3318	10854	7167	0	0	11132	3323	3610	996	26629	4387	3368	0	0	14653	7075	1922	8273	12301	2060	0	0	0	0	0	0	0	0	0	0	0	4182	0	0	0	0	2612	5477	1283	0	0	0	8387	28406	0	1218	0	3922	4139	5758	0	12033	10881	3159	0	0	0	0	6201	22069	13724	2940	9566	3687	0	1442	1709	2572	0	0	0	0	0	0	1057	3334	10448	4193	8590	0	0	13529	4556	2994	2051	2060	0	0	1533	0	16341	16118	0	2770	6626	7110	8861	10758	0	871	0	22780	1899	8020	0	1043	21786	Phytochemical	0.6363636	0.8636364	0.045454547
18	C22 H19 O14 N1	522.0878	522.0887	0.1823495	522.08795	11570	14922	15104	13218	36982	15852	2234	0	40640	7624	12576	5176	84790	12654	5404	4262	2928	48978	35584	14052	21862	50482	14306	0	0	0	3154	0	0	3266	0	0	6042	0	15724	0	4692	7590	4760	7244	25896	10708	1150	0	0	37214	79412	1070	3534	0	18644	20076	15660	0	54374	54710	18602	3834	4572	4616	0	20070	79060	48288	14694	38930	10608	5162	5998	0	0	0	0	0	0	0	0	0	17290	36178	11108	56142	0	2698	58940	20610	11456	11112	8756	4408	0	4456	6488	69880	40094	0	20568	21048	41526	52988	66478	7658	3346	3342	63644	5554	39920	0	2964	65738	Phytochemical	0.6363636	0.8636364	0.045454547
28	C22 H19 O14 N1	522.0878	522.08856	0.17550609	522.08795	4582	4449	5569	5042	11081	7158	0	0	10089	6227	2783	1253	25621	3603	0	0	0	14636	12888	12066	8546	10501	2768	0	0	0	985	1391	0	0	1227	0	2111	0	10093	0	1901	1969	0	3234	6150	2502	0	0	0	11456	26195	0	0	0	6741	4913	8208	0	14094	9868	2883	0	0	0	0	6323	19353	12429	2802	9721	2202	0	3388	1736	3593	0	0	0	0	0	0	0	4016	7417	3497	12993	0	0	13106	5370	1587	2100	2695	1073	1442	970	0	12779	11772	0	5996	6220	7356	7051	6663	0	0	0	18563	1201	6657	0	0	21676	Phytochemical	0.6363636	0.8636364	0.045454547
10	C23 H23 O13 N1	522.1242	522.1251	0.19356589	522.1243	11617	10180	9159	14418	12453	6463	3321	3978	18441	27847	16821	4571	30828	1830	3150	7097	4463	16247	12673	20468	33152	26504	6177	6081	0	2768	4981	4534	3414	3278	2851	3333	3762	2913	38435	2345	4594	4678	3830	11854	24560	5707	0	0	0	21180	49922	0	3105	1449	9558	14740	7929	0	17788	14517	5915	5912	2382	7465	0	11013	31203	19459	6955	14161	5246	5773	9512	5576	12463	4343	2869	3192	4053	2766	0	3069	7720	12170	7109	19374	1762	4654	19178	6658	6293	5625	5238	8860	2685	4301	8332	31343	27850	0	11415	12491	15613	16657	16907	6772	3756	7745	30472	5185	13250	0	3117	25375	Phytochemical	0.5652174	1.0	0.04347826
26	C23 H23 O13 N1	522.1242	522.125	0.10674381	522.12427	4952	6257	4723	5489	4892	5457	0	0	8547	17564	2833	0	17641	2253	0	0	0	17750	11285	13353	15174	12430	0	0	0	0	0	0	0	0	0	0	0	0	15246	0	1602	0	0	6322	6464	0	0	0	0	26051	35211	0	0	0	6821	4438	2951	0	8628	7387	0	0	0	0	0	6867	16911	8909	0	5978	2268	0	0	8597	5893	0	0	0	0	0	0	0	2653	6102	3857	18808	0	2290	11401	0	1882	0	0	0	0	2040	0	13771	22103	0	9372	0	5642	4723	4607	0	0	0	28878	0	10475	0	0	21153	Phytochemical	0.5652174	1.0	0.04347826
24	C23 H23 O13 N1	522.1242	522.12494	0.17113402	522.1243	4756	6673	10147	5434	12243	8855	0	0	13684	15487	4709	1500	23833	3459	2768	1473	0	15917	10549	14329	11841	17707	3284	0	0	3667	0	2507	3036	1494	0	0	2891	903	14997	0	3439	3160	1202	8943	8689	3742	0	0	0	37121	39657	0	1186	0	7094	8730	6212	0	20627	9560	4676	1811	3931	2255	3115	10603	20912	13149	3493	14475	3600	1875	5717	5898	7025	1143	0	0	0	1418	0	1215	4649	10409	5204	30968	0	4159	16496	8701	2590	2541	2437	0	2245	3099	2789	23334	26052	0	6615	7733	9880	9374	8365	2041	1179	3698	26908	0	6905	0	2089	20254	Phytochemical	0.5652174	1.0	0.04347826
20	C23 H23 O13 N1	522.1242	522.125	0.20531537	522.1243	26746	25361	19928	21082	33221	24200	5645	6838	38031	40665	19435	5049	86454	15759	13295	8408	3475	59898	47345	41463	51301	64207	16927	9666	11289	6656	3421	10277	4927	4080	5801	5012	10115	4870	59334	6558	12904	9138	3864	33840	25502	11186	2953	0	0	97190	122405	558	4817	3614	22028	24416	23205	0	50739	44154	15699	5532	7199	4521	5375	34976	54323	35194	13176	36338	11959	2161	13782	17871	19087	4924	3380	2183	3517	3827	322	6770	13445	49262	14193	75055	5599	11140	42084	21458	11775	7065	16940	7641	12490	15304	15177	64248	61977	0	24915	30021	33255	28161	37489	8764	5550	9024	97450	7521	36819	0	5017	56555	Phytochemical	0.5652174	1.0	0.04347826
14	C23 H23 O13 N1	522.1242	522.12506	0.16942637	522.1243	37636	32326	28558	29234	40310	20368	8215	16640	48240	81298	46753	14363	79134	16612	16329	18216	19348	49120	46847	57143	93623	115717	23365	18062	9342	11905	6347	16403	8842	10643	10978	11078	19837	8970	95779	9327	16834	14274	9648	47541	61999	18862	0	0	0	100221	157744	0	14391	10611	38903	31496	30537	0	57620	46921	20809	12567	17638	9342	19839	54595	81794	52567	19248	49190	18495	13963	34204	22445	30189	12410	12023	5789	10948	7315	0	13387	20854	91742	18161	76651	7118	19692	50058	25449	19978	17741	17093	19760	14216	21655	24124	108471	102441	0	37299	36320	40466	41827	49346	15389	8907	20548	155223	14624	43389	0	9462	62027	Phytochemical	0.5652174	1.0	0.04347826
18	C23 H23 O13 N1	522.1242	522.125	0.14365068	522.12427	37373	36843	37211	34149	48890	33633	7771	11455	51937	71239	38101	10782	108233	21685	17771	6419	8087	72254	66119	73035	83302	94828	24175	15149	8901	10083	9263	17778	13613	4175	6563	7100	18417	8205	91265	10920	17499	13046	7631	55628	38546	19574	1457	0	0	126059	145859	383	10011	9234	38862	39381	38012	0	79616	53665	15885	10405	19784	8865	13789	52326	86127	59745	25289	50273	25025	7357	28297	18852	25850	11402	7244	7193	6084	0	0	10912	21799	71725	19978	90244	9123	23964	59985	31452	24214	20892	22677	14118	15279	22899	23127	89572	109046	0	39620	41513	53945	37928	50700	18926	10095	17353	117781	12491	44925	0	11301	81550	Phytochemical	0.5652174	1.0	0.04347826
28	C23 H23 O13 N1	522.1242	522.1249	0.12299374	522.12427	5838	3798	5182	5508	5948	6909	0	0	8194	15282	3792	0	12712	2219	2606	0	0	9985	9693	14405	14513	10804	2815	2718	0	0	0	1639	0	0	1054	0	1135	0	16690	0	1403	1583	1085	7470	6190	0	0	0	0	21850	31296	0	1036	0	6857	5645	5163	0	8956	6946	2327	1595	1780	1218	0	6968	11782	7350	2139	8513	1932	1051	7556	5844	7525	0	0	0	0	0	0	1369	2976	8761	2717	14788	1053	4188	9564	3527	1693	1310	1965	1087	1945	3118	2850	9773	12736	0	7729	5215	4029	2978	4919	0	0	0	18635	1474	5362	0	0	12049	Phytochemical	0.5652174	1.0	0.04347826
8	C23 H23 O13 N1	522.1242	522.1253	0.29830816	522.1244	3230	2946	4502	2912	6107	956	1132	0	7999	7266	6663	1880	13892	1051	736	1378	2220	3992	9119	6713	12957	10335	3072	1761	0	1162	1657	0	0	922	947	0	1424	0	14806	1110	1180	1997	2159	5004	9729	1777	0	0	0	3166	21352	0	0	855	3363	3540	4429	0	8520	6084	2475	1261	0	2140	0	4685	14729	9316	2959	7363	1554	1575	0	1620	5772	0	932	0	2662	0	0	823	2194	0	1924	4195	1065	1622	9313	0	2494	2073	3072	2929	0	0	5134	10859	7938	0	4396	3302	5793	7789	9799	2006	0	1777	8780	1844	6322	0	957	9220	Phytochemical	0.5652174	1.0	0.04347826
22	C23 H23 O13 N1	522.1242	522.125	0.15180169	522.12427	15527	16922	15961	10418	18523	11430	2211	2508	25110	22664	9561	1697	34895	8433	8274	5194	0	31728	17901	23706	26683	33596	7073	5766	6588	6480	1575	4441	4023	2497	1549	0	3767	0	27773	2272	5943	3788	1970	17314	15809	5518	0	0	0	60228	79978	0	0	3263	12881	15340	13598	0	33636	24212	7666	2129	3604	2558	4193	23025	35211	23859	7245	20374	6732	1489	9423	10531	7013	5854	0	1647	1334	1081	509	3850	9986	21519	7340	46515	3245	8125	28463	13535	6938	7289	6301	1707	0	9385	6377	32906	42933	0	11037	13116	14959	16446	17636	6672	2905	5752	68005	5380	21242	0	3312	41791	Phytochemical	0.5652174	1.0	0.04347826
12	C23 H23 O13 N1	522.1242	522.1251	0.18559872	522.1243	20471	26052	19321	16373	24956	13236	8126	9839	35388	60579	41389	8523	46549	5694	7808	10889	8169	29944	37470	45925	64363	76168	19740	11633	4457	7910	3632	12306	8456	5299	6726	4897	11316	6453	77370	4670	9724	11573	7917	35785	41411	9008	465	0	0	51973	107331	0	6996	4228	22232	19259	20300	0	37569	28901	14081	10644	5996	8755	0	34873	72985	28959	12743	33005	13878	9540	19555	14058	23765	8064	5688	7577	6650	4763	0	5481	20889	52531	11670	43372	4361	11900	37219	11644	17384	10460	11890	10193	3174	11951	17499	65388	55048	0	22889	27337	33632	26570	30356	11511	7876	11132	78006	12066	26102	0	5124	46414	Phytochemical	0.5652174	1.0	0.04347826
8	C22 H23 O12 N3	522.13544	522.1364	0.17852917	522.13556	3385	4818	4094	3199	2989	1456	1124	4417	4985	4843	5156	3997	11085	1126	3386	2204	3938	4896	6985	3398	3779	11306	3419	3967	656	530	1600	0	2719	1570	1881	2960	3970	1961	7592	2986	4706	2401	5072	4230	11090	2789	0	0	0	7138	21884	0	3947	2216	3593	6522	3199	0	9698	5588	3134	3984	2848	4263	4722	3248	14107	9398	4179	7135	3508	5958	0	0	2481	2178	2406	3101	2954	1198	0	2629	4097	0	1867	4232	899	1671	6583	0	3324	4993	3552	9244	0	0	6055	6328	3066	0	2122	3403	3720	6510	6744	4396	2009	2865	0	2788	5236	0	1925	9329	Peptide	0.54545456	1.0454545	0.13636364
12	C22 H23 O12 N3	522.13544	522.13635	0.21615547	522.13556	0	6426	5726	5729	6438	4271	0	5800	7951	7153	0	7770	10947	2920	6438	4957	8712	12464	8821	7145	10163	13944	7644	3458	2644	0	3191	0	5062	3760	3640	3549	9664	4913	10346	2778	6071	5389	8223	11204	18804	4766	0	0	0	11453	33085	0	5015	4103	6863	6798	5856	0	10763	6447	4078	5064	0	8318	0	7492	17565	9508	3198	9749	5463	9265	0	0	3752	5160	4954	2318	3130	4995	0	4381	5971	0	7492	14982	2702	3559	7824	2820	7108	4321	4333	9692	2838	9216	11328	9767	9579	0	6237	7141	5068	7640	6811	8106	6695	6274	0	5234	7074	0	4316	19881	Peptide	0.54545456	1.0454545	0.13636364
18	C23 H27 O9 N3 S1	522.15405	522.1551	0.11484244	522.1541	10636	3405	6736	0	11074	0	3281	0	1559	0	14336	2721	10562	2349	1502	2398	2366	2330	4289	13408	9606	7713	4486	0	2483	3163	0	6430	0	0	1426	0	0	0	14453	0	2640	2118	2077	7868	20246	0	268	0	0	3128	10788	0	2184	0	4372	4876	2611	0	3291	6128	0	2405	0	1001	1831	5131	4052	4880	0	2170	4204	1655	11258	14940	19066	0	2493	1294	0	0	0	0	0	9744	4390	8858	0	15204	2022	0	2053	3077	0	5126	3260	0	3968	8153	6530	0	4243	0	3868	1539	3575	1577	1409	0	3146	1762	3408	0	3637	2292	Peptide	0.39130434	1.173913	0.13043478
8	C24 H27 O12 N1	522.1606	522.1616	0.21380386	522.1607	13819	12374	8370	11162	6974	5096	3692	9787	11085	35263	13029	6050	14892	3155	6372	7522	5040	9845	8716	21445	26748	24193	6499	7431	2161	4791	4018	5515	4948	4676	5203	4793	7455	3550	39014	5555	7225	5281	7890	17250	25140	5493	0	0	0	14828	26712	0	6591	6923	9390	11389	5651	0	11525	9571	3527	9332	5992	7227	10793	12263	15468	12285	4207	14075	5454	8473	8708	5105	14286	7753	7456	4442	3149	6595	0	3162	6849	7908	5052	10384	5449	9180	10841	4171	5951	3406	4995	8790	0	6316	8448	15057	20641	0	11384	12481	9609	9146	8334	6124	5540	8109	11875	6933	5493	0	3765	15739	Phytochemical	0.5	1.125	0.041666668
14	C24 H27 O12 N1	522.1606	522.16144	0.123728976	522.16064	79003	75405	73015	81771	52768	41013	35240	73278	67715	209588	108283	39377	94139	32395	51691	65713	38196	82292	86623	193522	176501	184871	58215	75391	42734	71740	26976	66720	50859	48676	48084	58638	60813	46176	276485	58774	53945	50194	38241	133318	117930	37295	0	0	0	168659	190655	0	49093	56306	64725	72746	38789	0	93191	53277	30443	62570	78189	37343	88707	109524	99709	68896	28780	74623	43334	33738	80329	91679	85582	57585	46125	50265	36405	52414	0	39325	44332	105688	47885	107278	37578	70603	68673	39706	43650	36395	42760	51299	46004	66779	73321	104180	154483	0	69751	78799	52404	44142	44312	67666	33867	91909	177328	45340	52251	0	35283	80091	Phytochemical	0.5	1.125	0.041666668
20	C24 H27 O12 N1	522.1606	522.1614	0.111344755	522.16064	135869	122015	124479	103996	125425	110484	50051	74174	145419	370002	135944	46069	211217	69589	72390	55607	37867	190299	147684	309070	271515	249776	78041	98991	84166	175431	33143	99809	64235	50600	59464	60080	91870	48183	486616	67678	87336	57186	42661	247618	122169	56763	2675	0	352	369630	282710	0	72117	68692	125468	119308	92060	413	179600	123041	54860	65522	85300	42147	72155	147416	215048	134724	54049	147460	76887	32014	138535	257913	191525	79140	71276	50722	39471	55521	332	60523	84097	115798	71341	222069	59479	148262	129318	79363	65758	55832	62661	32359	93154	102459	95241	132675	192195	0	117208	123019	113240	94103	101548	71370	44050	76715	246325	48185	111979	0	46650	224665	Phytochemical	0.5	1.125	0.041666668
22	C24 H27 O12 N1	522.1606	522.1614	0.13621736	522.16064	24133	21684	27628	25369	32206	28874	7325	14726	35167	78220	27764	9357	52361	13727	16690	11812	7594	56014	41590	63191	68618	45384	18348	13677	14311	26019	5382	16265	12997	7520	12630	9387	12092	10038	70695	8976	15751	12186	6573	53015	28780	12341	0	0	0	96376	100823	0	7694	9504	28744	21393	22712	0	42234	36015	17292	11983	12937	8835	13906	33446	47537	33691	12429	32027	15758	5783	32875	46873	36251	10129	9602	8855	6321	6003	277	11228	19153	23430	15022	63618	12412	27211	46933	22957	19656	13447	12763	6548	12601	14970	17558	41991	63719	0	22758	29485	29044	25250	26097	8064	8169	13672	84093	15991	34017	0	10732	58953	Phytochemical	0.5	1.125	0.041666668
18	C24 H27 O12 N1	522.1606	522.1614	0.12397324	522.16064	726156	645934	589518	535975	536204	442809	238822	430124	618004	1718000	708196	227698	1017057	234791	394535	367817	165787	774576	723071	1452822	1208756	855139	433488	477745	349681	616792	268535	447838	339108	349502	371965	341969	473039	366808	1838739	343675	505091	402376	218973	1028580	633879	270270	18188	0	0	1556021	1043910	0	442165	352745	693585	618630	393523	258	826169	465666	250581	359026	386177	218405	420462	1248187	960841	596292	216209	581933	316044	217785	512318	1044377	809287	485525	325006	464824	300685	344244	0	346871	431856	454775	459553	953138	285313	586046	552792	317733	392025	287265	296165	205356	293155	511067	538836	620915	930686	0	703806	536368	580600	440150	437555	409077	219903	442255	835429	394242	419839	0	333488	863093	Phytochemical	0.5	1.125	0.041666668
24	C24 H27 O12 N1	522.1606	522.1613	0.15704481	522.1607	12844	9065	11386	10948	15947	10818	3433	4333	17660	40813	10112	2649	30708	5074	5684	5865	2302	25044	19906	31037	31279	21778	7554	6181	5019	14193	1390	5295	3310	2158	2380	1742	4394	3963	35325	4007	4884	3755	3187	16598	12389	4185	0	0	0	42765	51061	0	4653	3601	11742	13665	8756	0	21559	11071	5983	4647	6600	2688	4392	18833	26181	17248	6247	16188	10621	1579	17106	31176	21444	4998	2906	2663	2675	2386	0	3169	10589	12758	7985	30356	3054	12828	18248	10334	5674	3297	4248	0	6820	8383	9305	22556	29813	0	13942	10718	11522	10865	12587	4028	2446	7087	37511	3290	12548	0	5112	27334	Phytochemical	0.5	1.125	0.041666668
26	C24 H27 O12 N1	522.1606	522.1614	0.12888096	522.16064	4539	6929	6616	7678	7361	5617	0	0	11172	25287	4515	0	13182	2791	0	0	0	14061	8338	18907	18824	11327	0	0	0	6190	0	2220	0	0	2264	0	0	0	21611	0	0	0	0	11902	9606	0	0	0	0	20975	28911	0	0	0	6501	6564	5899	0	12907	7348	2871	2182	2356	0	0	5944	14024	6957	3637	9990	2836	0	8191	16902	10597	0	0	0	0	0	0	0	3565	7821	3439	15590	0	6016	8461	0	2817	0	0	0	3842	2903	0	7768	17336	0	7751	7764	5366	6884	8048	0	0	0	13707	0	8285	0	0	15422	Phytochemical	0.5	1.125	0.041666668
10	C24 H27 O12 N1	522.1606	522.1615	0.16858463	522.1607	30803	36712	30423	32488	17582	15126	12854	19019	26458	59480	37680	17990	42236	7598	17882	19270	18553	29828	24748	54516	58670	61558	18279	31073	6985	19263	19039	14811	19488	16895	20711	23862	26299	20707	97898	18670	21600	21083	24199	42195	51202	11189	546	0	0	39231	59255	0	26861	24333	32817	33908	14027	0	30604	16924	8352	26911	17703	16701	17445	29108	30541	22456	7931	27734	18537	18029	26236	17237	28741	21525	23946	15717	16440	18799	0	18015	16682	20713	11728	26364	11897	18283	23628	16911	24208	12826	11492	34684	15010	19883	35473	40975	56354	0	31452	25161	17514	21770	16121	28745	11194	17658	26625	19116	15687	0	15879	37397	Phytochemical	0.5	1.125	0.041666668
12	C24 H27 O12 N1	522.1606	522.16144	0.09787182	522.16064	43759	48131	49150	42199	31138	21165	25647	45257	39366	117229	68753	23455	54389	15421	24021	35950	31457	47493	49003	114098	111896	104325	33175	40487	22541	39667	18096	36580	35180	27766	31291	28944	42050	28210	168318	25274	31591	31070	33381	87930	122928	24841	591	0	0	91468	119377	0	29735	34659	45733	48946	24270	0	55163	32833	18784	28840	38421	34828	34154	65170	56849	44157	14547	44919	25660	31986	43479	51794	55613	29564	23992	27502	26127	30066	0	27691	34672	42123	29215	64586	27018	43806	40448	18942	27299	19727	25721	44590	30672	45650	46867	83937	73731	0	46091	57977	35991	25599	29757	45374	19712	38460	113279	34159	29396	0	26152	62226	Phytochemical	0.5	1.125	0.041666668
14	C23 H27 O11 N3	522.1718	522.1726	0.09006796	522.1719	22010	25395	24390	24516	13880	13677	15262	36557	17944	20157	9237	16322	18958	6213	29025	31888	28157	21103	25798	25225	20204	48996	26458	35146	26037	0	19464	0	23363	22631	23323	29944	30279	23290	31862	24989	31361	25126	29398	26915	25152	14703	0	0	0	36612	17186	0	24939	30508	19998	20492	15338	0	27997	11230	8653	30744	53309	14097	0	24516	25959	21867	9571	21508	20472	24052	0	0	0	29668	25055	23022	14271	24580	0	21774	21986	0	23607	17616	16508	14558	12239	8884	25295	15898	18161	37807	22817	30875	54687	18749	24043	0	24666	24137	10265	12570	11437	25429	18464	31040	29218	32319	11594	0	22273	22546	Peptide	0.47826087	1.173913	0.13043478
18	C23 H27 O11 N3	522.1718	522.17255	0.16283616	522.17194	158871	139908	124767	113500	116288	94727	51786	90563	132216	367792	153880	48604	215963	48112	83629	76421	35172	160281	149128	314744	249452	171673	91507	102380	76213	133764	59994	95388	71144	77272	82833	71800	102448	78916	393980	75024	112074	91003	48184	216923	134488	56841	3752	0	0	327005	212340	0	99236	77339	153660	133876	83500	0	173667	96033	53025	74742	81856	47055	92882	281555	206745	129367	44756	123940	65032	48233	108668	230432	177300	108543	72570	104418	67900	77676	0	77306	93132	91246	103342	198449	60069	126136	115228	65926	87435	62363	64265	43664	59380	103267	113003	127380	183700	0	155219	108749	127624	94939	93696	88500	47249	94497	169144	85711	87768	0	74339	183888	Peptide	0.47826087	1.173913	0.13043478
6	C23 H27 O11 N3	522.1718	522.17285	0.1067102	522.1719	7292	14031	8986	9889	5071	5152	5731	13106	8241	7989	6469	7580	9280	2071	5793	11543	10799	9061	9626	9345	15228	14861	9384	17960	2848	0	7000	0	11355	8142	8527	8388	10939	9051	13692	7633	13337	5837	11546	7830	15589	5071	0	0	0	12673	19153	0	12608	8996	10304	8527	5204	0	11133	5862	4310	10439	6644	11159	12914	6636	13595	9697	3307	8793	5488	15681	2007	2372	2768	8332	7212	6156	5934	6423	0	5936	7874	7884	7497	5113	4202	2963	6769	3390	9002	7449	7579	17839	4988	7626	20584	9825	8542	0	10130	8280	4808	7878	6250	10763	5114	10744	7660	12286	4333	0	5765	11694	Peptide	0.47826087	1.173913	0.13043478
8	C23 H27 O11 N3	522.1718	522.1727	0.05370851	522.1719	21354	23758	21901	24346	12216	10348	11222	22138	14289	21029	13509	14608	22756	5338	16028	26544	24952	16943	18899	23249	28480	42400	19803	25651	10607	1665	13185	5517	18312	17659	17588	24054	23238	17236	33441	20477	27817	14688	26199	25214	29284	12116	0	0	0	28544	39052	0	24364	18806	23959	26344	12589	0	18848	10895	10028	23962	16851	19694	23156	21394	23640	18322	7076	15054	13512	31046	4145	5505	7988	22858	20880	15878	15738	18027	0	15587	21461	12494	17148	14583	15401	10022	10345	10745	20836	13513	11976	37744	20034	30051	46887	20257	27636	0	22615	22348	10126	13713	12029	24135	10850	28746	11278	25311	12217	0	14546	21047	Peptide	0.47826087	1.173913	0.13043478
24	C23 H27 O11 N3	522.1718	522.1718	-0.46495363	522.1716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1999	1380	0	0	0	0	1146	0	0	0	0	23674	0	0	0	0	0	0	949	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10801	0	1581	0	0	0	0	0	0	1152	0	0	0	0	1824	2559	0	0	0	0	0	0	0	0	1534	2486	0	0	0	0	0	0	0	Peptide	0.47826087	1.173913	0.13043478
12	C23 H27 O11 N3	522.1718	522.17267	0.09536042	522.1719	33782	29390	31077	35478	16021	14291	29985	50655	22901	32422	14116	22161	27525	7526	31410	33519	31183	21412	32513	34256	26107	62099	38080	41172	25996	0	15541	0	37055	23899	31663	34089	43948	24116	42701	32821	35171	29922	36102	38062	35612	16662	0	0	0	0	33167	0	32640	28718	34185	32555	19387	0	31787	13901	14472	40665	46428	25111	26872	34575	36427	25626	12089	25638	20698	39491	0	12118	9564	32810	26437	33433	18885	22417	0	24617	31970	17890	25360	29405	27182	19648	17041	15371	32979	20172	20517	48490	27334	39993	69920	27179	28003	0	37730	24964	15183	15118	14312	33787	24463	30865	42948	40844	12745	0	27037	39384	Peptide	0.47826087	1.173913	0.13043478
16	C23 H27 O11 N3	522.1718	522.17255	0.017187487	522.1718	18687	15385	14621	15368	0	9243	11515	0	0	0	0	9207	12419	4757	16464	22331	7511	16564	14212	13768	8116	22234	14522	16906	16483	0	8773	0	12104	17730	16220	16596	19768	18759	0	14847	23479	13187	12010	13001	9981	11113	0	0	0	12193	6981	0	16203	14856	15887	12888	10714	0	11981	6278	6744	17125	13265	10323	19310	15838	11910	10831	6965	12708	9801	13466	0	0	0	17684	15188	13462	9416	14445	0	12751	19408	0	13293	9904	10308	8107	7709	6236	17961	8248	12170	0	17598	24413	46103	10838	13584	0	11850	11020	9121	6222	7663	14977	13212	15605	0	20686	5770	0	13020	15071	Peptide	0.47826087	1.173913	0.13043478
24	C28 H27 O9 N1	522.17584	522.17645	-0.009384842	522.17584	3184	4149	3430	4447	2598	1596	0	0	2150	15322	15591	0	1625	1595	0	0	0	1784	3020	7248	9900	4710	0	1474	0	13728	0	15891	0	2114	0	0	0	1005	15002	0	0	0	1338	10177	10740	0	0	0	0	7270	11104	0	0	0	3837	2876	2351	0	1913	2344	1734	1677	1597	0	1933	8331	4373	1625	1777	2355	2035	0	21255	24160	28254	0	0	0	0	1054	0	1112	1307	7880	940	9617	0	7747	0	0	1790	1567	1491	1850	0	2987	1627	6583	6480	0	1557	2472	3437	1833	0	0	0	0	6970	1568	2820	0	0	2536	Phytochemical	0.32142857	0.96428573	0.035714287
18	C28 H27 O9 N1	522.17584	522.17664	0.006814692	522.17584	166097	142925	128066	117450	117461	94727	51786	92366	135055	383337	165915	49933	218899	50267	83629	78895	36637	162373	154415	330962	257984	179237	92731	105085	76213	158673	59994	107059	71144	77272	82833	71800	102448	78916	412627	75024	112074	91003	48184	223516	143891	56841	3752	0	0	333037	219360	0	99236	77339	158805	136927	85478	0	179043	98673	54459	74742	83993	48974	97598	287706	209197	129367	46708	126079	66408	51274	129764	253387	214270	108543	72570	104418	67900	77676	0	78626	95682	95808	105075	201464	60069	136689	117065	67346	89016	64461	67341	43664	62315	103267	115989	135494	193385	0	159056	112785	128789	98734	97546	88500	47249	94497	172195	87942	87768	0	77022	186253	Phytochemical	0.32142857	0.96428573	0.035714287
22	C28 H27 O9 N1	522.17584	522.1766	0.07171026	522.1759	5468	5076	4975	4121	5269	2655	0	2644	4027	29141	31034	0	3975	0	1715	2231	0	8927	4929	18223	18621	9058	1112	3554	2136	30314	0	22308	1533	1658	1417	0	3419	0	24030	2006	1644	1526	0	17295	16564	2080	0	0	0	12622	16253	0	1687	1664	6220	5641	4092	0	2647	0	1536	3047	0	0	3755	12087	6150	4216	3754	6706	5191	2455	32741	43284	43757	0	0	1333	0	0	0	0	3490	12248	1982	8479	1688	13710	3677	2696	6576	2804	4442	3371	3609	6887	2911	16740	14432	0	7439	6639	6421	4010	4812	1792	0	2033	9476	0	2894	0	2246	4055	Phytochemical	0.32142857	0.96428573	0.035714287
26	C25 H31 O11 N1	522.19696	522.1977	0.12558246	522.1971	8956	8560	14063	8170	10085	9504	0	0	11317	36570	9686	0	22246	3829	0	5358	0	19898	11255	27961	34817	13122	6670	9142	0	24449	0	5693	0	0	6492	4385	5939	4815	30417	0	5995	3102	0	15770	12912	0	0	0	0	23524	23315	0	5181	0	13205	9707	6364	0	13933	8707	5136	6136	3375	0	6997	13388	14526	13610	3434	13902	4435	0	22803	34536	30976	5687	3889	0	0	4034	0	3773	7256	6748	4304	10937	3181	13036	11946	8430	7144	4139	5174	3510	6664	6075	7990	9929	13576	0	8326	8892	8591	9186	10141	5021	4249	7569	10223	4077	10212	0	3335	22826	Phytochemical	0.44	1.24	0.04
24	C25 H31 O11 N1	522.19696	522.1977	0.12903254	522.1971	23458	25626	22105	23178	31236	24642	5759	14306	27499	66440	16859	9395	49838	10248	13124	18915	7623	43132	38273	58083	52293	26058	21125	20614	13204	47348	6298	14993	12729	9491	10926	12342	14445	11507	75089	12795	18090	12344	7812	39728	28008	10438	0	0	0	54158	48984	0	14324	14085	24899	22820	19018	0	35590	24099	10280	17526	12078	8197	16219	33481	39139	28680	7810	27682	12919	5772	43090	64891	59799	17088	10770	11781	9408	8051	0	11124	19248	14120	17513	36873	10138	22865	37062	17210	12299	11051	13678	9062	16589	16415	21743	16759	36194	0	19467	24075	20322	20484	22997	17212	9019	18430	40667	14307	22160	0	12122	46285	Phytochemical	0.44	1.24	0.04
12	C25 H31 O11 N1	522.19696	522.1978	0.045341294	522.197	40725	41032	41532	38634	20897	21399	31630	133842	30228	96480	40468	27056	32711	10355	34549	43790	44315	37651	51913	97391	87365	65979	39079	48458	31859	41244	27533	39808	43199	35264	41565	39678	46598	32933	127116	38777	40371	34588	37240	70186	69213	21970	816	0	0	59788	55897	0	37629	44035	40385	41594	21036	0	45659	21142	16162	47644	38111	37389	40178	57423	39969	32767	13604	36864	26100	41351	35939	62441	54234	37353	37313	35653	27447	31650	0	25743	32018	32233	57834	36455	68050	43984	26802	19391	33586	17575	24523	48262	31785	55701	60161	52943	53685	0	40801	46654	22288	19320	23174	40314	25133	45452	31967	34324	17350	0	31970	41036	Phytochemical	0.44	1.24	0.04
10	C25 H31 O11 N1	522.19696	522.1979	0.124139644	522.1971	25951	27422	20971	21548	11325	11117	12151	21628	12489	64413	24109	14276	25593	6166	14205	21178	16673	18042	20514	50934	50125	47229	16590	53522	16352	17759	15101	15750	22173	20320	18337	21509	24080	16143	72372	19376	52616	16613	18314	36248	38136	11313	0	0	0	36037	27630	0	22813	19192	25604	24177	11283	0	23886	11018	8153	22843	21745	13675	29726	20411	22269	18234	5706	15444	12279	19369	17122	24082	21940	19431	18910	16458	15166	19318	0	11979	20717	22441	17948	38934	15978	17252	13572	10146	17075	10751	12509	24345	25579	26408	29227	24021	33519	0	24738	28194	6369	12892	12387	22356	14496	29682	0	17676	9733	0	19092	18871	Phytochemical	0.44	1.24	0.04
28	C25 H31 O11 N1	522.19696	522.1977	0.15328698	522.1971	6370	3788	6485	4353	7450	4683	0	0	5271	19157	4925	1885	14568	2890	0	2852	0	9850	6625	17213	18317	7451	3883	3425	3297	15179	1232	4300	2261	0	1932	1779	2338	2814	15794	0	4163	1636	2141	7963	7162	0	0	0	0	10543	12336	0	2325	0	4528	3843	4086	0	6862	3403	2058	3299	1936	1710	4248	4968	9221	4901	1848	6793	1493	1941	11918	23927	20463	3470	2146	0	0	1461	0	2455	5230	2495	4264	6573	1246	5733	5367	3364	3197	2575	2135	2011	3563	3640	4574	2650	5452	0	5870	4740	3247	2966	4346	2811	2065	2984	5160	2884	3994	0	1672	11101	Phytochemical	0.44	1.24	0.04
22	C25 H31 O11 N1	522.19696	522.1977	0.06906565	522.197	120402	117456	120348	114936	149858	105616	40968	104064	138230	361474	120392	53176	174352	71760	87052	82072	46346	195946	145282	313822	300934	141590	105841	107866	76968	212786	34066	105076	82960	76286	70618	81462	92240	76760	364472	87370	100298	63598	38396	222024	122980	65820	5652	0	0	326680	217019	0	84478	76010	121670	121470	98406	0	179162	121170	54286	90166	67392	45906	89372	145772	184310	129672	66134	152580	80232	41284	192270	304812	213154	93274	75134	77151	46866	68978	626	60780	95952	83244	79536	160296	53402	120862	164106	93724	78554	126828	69944	50316	84928	104664	124260	97800	162090	0	118978	153344	109466	95438	100980	84719	51256	109878	213102	92182	116160	0	63720	186878	Phytochemical	0.44	1.24	0.04
8	C24 H31 O10 N3	522.2082	522.20917	0.12439977	522.2083	23608	23075	18468	23648	9049	8494	14745	24475	11485	21107	5796	15393	12456	5498	17505	26097	17002	10499	19036	21935	20797	36750	14263	28723	17624	1954	12285	5757	23696	17292	15253	23366	24290	16003	24100	22177	26312	16695	19335	22185	18650	12487	0	0	0	26135	19496	0	26320	18429	19328	19682	8831	0	16239	8738	9076	26025	20743	12414	22601	12734	13875	11697	6426	13011	10513	19013	0	7643	4334	22464	16483	17359	13553	18909	0	13920	20194	9148	15190	12177	15550	13681	6916	6371	18238	9859	11641	37885	29860	42051	52802	13956	17798	0	19050	21714	8352	9551	10432	23532	10934	32682	8685	21665	4871	0	17366	14542	Phytochemical	0.41666666	1.2916666	0.125
12	C24 H31 O10 N3	522.2082	522.20905	0.117560156	522.20825	24986	28887	29634	23431	13000	13857	35967	46721	19953	24248	9765	20273	20678	6319	35689	30893	18855	20023	27189	31225	19734	56282	36672	39611	43421	5754	17797	0	35623	26461	36937	27862	40684	30157	37851	32894	31069	30924	30463	31305	14329	14496	0	0	0	31951	18188	0	35462	27981	31647	26208	17246	0	30209	13030	11530	40940	57117	21409	32717	22132	14122	16454	11190	21213	20976	32728	0	12999	7062	30471	28625	30041	18790	24120	0	30027	34344	0	24208	20264	31119	19761	14382	14138	30476	13778	19857	56260	37656	47772	70343	22911	16016	0	30454	27660	10711	12207	10890	38260	19387	34466	0	38035	14061	0	31345	21896	Phytochemical	0.41666666	1.2916666	0.125
10	C24 H31 O10 N3	522.2082	522.20905	0.07800224	522.20825	33459	26172	28599	28189	12813	12045	23412	38269	12734	20797	8744	16117	20076	3127	26799	30296	22404	15869	18797	30328	21976	47384	25665	46593	29601	3101	21624	8180	32676	27708	27574	30254	38524	25109	32143	26916	37939	22027	30375	31448	16506	15350	0	0	0	28760	19980	0	32821	26691	27526	28799	13609	0	21038	12913	9903	39422	30501	16602	32023	21083	15064	14623	8549	17656	14469	29006	0	13186	4577	31717	29246	22537	16734	25537	0	18181	25027	18988	21431	17248	24589	16186	9772	11742	27082	14863	15617	38288	45636	42414	82461	17858	26682	0	27947	21716	9057	12499	10772	33029	21339	37917	22203	29814	9431	0	28027	19378	Phytochemical	0.41666666	1.2916666	0.125
16	C24 H31 O10 N3	522.2082	522.209	0.078378946	522.20825	1385406	1406465	1156546	1371549	753715	728448	969497	1269165	1095577	2810494	1379019	847720	1116634	510661	1058649	1351342	902837	923046	1268854	2527416	2088512	1399646	1140074	1524905	902377	1852805	695769	1132440	1244827	1125156	1195063	1311914	1250263	1001985	5136557	1236329	1469010	993407	967470	1726747	1317915	577865	15882	0	0	1602572	1276536	0	1311107	1136416	1397727	1307131	745745	866	1212747	748755	498294	1104619	1162703	754295	1327093	1285696	1147093	932844	532387	970314	708210	926869	1386362	2127084	1988689	1284838	1136767	1091133	905331	1089173	0	796248	1131544	692608	978237	1163132	892300	1328345	918442	598276	1287932	566867	716355	1042268	1037703	1322225	695200	937546	1394907	1656	1166174	1350231	794146	623654	751014	1233713	758645	1185222	940475	1126640	806874	0	1025105	1119930	Phytochemical	0.41666666	1.2916666	0.125
22	C29 H31 O8 N1	522.2122	522.21295	0.047247417	522.2123	7517	6230	10918	6635	4799	0	1982	3955	3116	12866	22702	1897	4682	0	1817	7373	0	4368	6230	18192	12027	6286	4189	5778	3846	41693	0	21720	4389	2940	4431	0	3881	3591	15824	3774	5161	2107	2816	18298	23294	3235	0	0	0	9670	12926	0	0	3187	7534	6431	4483	0	2228	2619	1357	7300	3450	4790	4146	10455	3341	2796	0	3078	6035	3850	33013	25995	47357	4412	2950	1697	2091	2297	0	1686	5353	7219	4365	6137	3026	16669	5074	1699	4033	4199	4824	8941	6638	8302	5541	9844	9329	0	6424	6929	2622	3792	3323	5870	0	8573	4592	3633	2771	0	5388	3093	Phytochemical	0.27586207	1.0689656	0.03448276
24	C29 H31 O8 N1	522.2122	522.2129	0.03531903	522.2123	3755	4978	3713	5127	4071	1344	0	4799	2934	12033	21930	0	4283	2227	2456	1873	2615	2472	5903	12964	14936	6760	2158	5490	1300	28093	0	15677	1758	2751	1432	3093	2785	2579	11254	0	1930	0	3145	12440	15370	2856	0	0	0	9749	11386	0	2645	2847	3073	4893	3357	0	2954	2580	2365	1620	1731	1824	3459	8611	1676	3987	2114	2077	1629	2032	30027	21412	34219	2037	1192	2043	0	1064	0	0	3497	4852	1636	7950	2978	12789	3905	0	3173	3343	4123	4517	2528	3214	6084	5468	7950	0	4948	4657	2585	2012	0	4234	1523	0	4174	3296	3513	0	2362	2758	Phytochemical	0.27586207	1.0689656	0.03448276
28	C26 H35 O10 N1	522.2334	522.2341	0.033654913	522.2334	6849	6962	6130	6646	7833	6428	1355	6839	7843	22119	7681	1728	17991	5330	5450	6761	3002	7765	9056	20695	21418	5381	5601	6724	2633	26497	2138	6481	4938	3746	2609	3822	5892	5883	21402	5533	5590	3457	3404	9855	7150	2852	0	0	0	10078	7175	0	5109	4589	7373	6066	6454	0	10606	8417	2901	7501	3663	1452	5406	5908	9486	5284	2494	9913	4033	3748	17112	38303	32567	5950	2446	3716	3631	2705	0	2944	5135	3132	4632	5296	3501	6943	8201	2930	7397	5346	2843	2910	4967	7691	7840	3127	5494	0	6757	5308	4426	7000	9002	5250	3016	4912	4643	4774	5817	0	2724	12194	Lipid	0.3846154	1.3461539	0.038461536
22	C26 H35 O10 N1	522.2334	522.23413	0.072028354	522.2334	143156	133229	137184	142632	120533	118073	0	163058	129078	292931	136780	71754	172379	91373	121167	125783	68845	198122	188986	319909	294800	137859	128798	166700	117987	280645	0	118669	0	0	116046	135703	135342	0	303357	128992	0	0	67920	195552	118591	89254	2959	0	377	201607	142545	0	121691	135531	137181	130190	111623	883	179571	119086	65894	122316	119891	60995	0	136844	177785	137837	56213	146736	0	63158	222944	404897	248220	0	0	111973	0	103570	293	103397	0	59947	102375	99982	85262	0	141279	91140	104702	76966	90065	83744	127472	152088	165732	78768	138648	0	132025	0	105599	94043	104350	135950	71195	143347	132100	120714	104293	0	0	192127	Lipid	0.3846154	1.3461539	0.038461536
12	C26 H35 O10 N1	522.2334	522.2342	0.12102821	522.23346	21298	24104	23569	23340	9802	10578	13932	28447	9708	29055	18788	13686	11993	4236	14906	22728	25818	15725	25065	43127	34274	29687	17194	28239	19561	21054	11501	11263	28515	20856	23619	20873	28621	21792	54330	25366	23250	18897	25254	32944	27037	13377	0	0	0	29773	22845	0	22672	21278	21158	15670	9717	0	13849	10358	7660	23557	16399	14388	19310	16270	17376	12456	7117	11769	13600	17670	0	28907	22096	16342	19900	25267	21188	19892	0	18567	19626	0	14456	12545	12453	18359	13663	8343	16828	9834	9930	26350	24634	25582	31762	14808	27505	0	19459	21195	9604	9120	8699	21568	13411	31578	0	21952	9969	0	20204	16507	Lipid	0.3846154	1.3461539	0.038461536
24	C26 H35 O10 N1	522.2334	522.23413	0.026587611	522.2334	49723	0	0	0	64198	49430	19280	52386	0	114448	53776	24515	0	34330	43832	51624	24719	84316	0	0	130024	52250	50932	0	35796	114187	18696	48947	39893	37435	0	0	46170	43195	156578	42459	0	29378	23175	86677	57627	26351	1836	0	0	93165	64443	0	41639	41539	54463	50329	0	0	72129	0	25226	0	37621	19562	49322	54306	85594	59879	24062	0	35482	24065	103965	182613	130978	0	40771	36784	21568	0	0	32332	55247	26356	40464	0	25682	50809	70293	33099	45451	28785	0	31374	45444	52413	68337	30733	59854	0	55675	62089	45185	47680	53428	44613	30538	0	46267	0	51300	0	28619	86586	Lipid	0.3846154	1.3461539	0.038461536
26	C26 H35 O10 N1	522.2334	522.23413	0.056794487	522.2334	22111	22789	25340	17459	25565	18245	5800	15605	27006	50773	20129	8435	40081	14469	11058	25054	10363	33763	30861	49423	46980	15921	18393	20752	9066	47815	6418	14844	10566	10702	13205	8577	16553	16372	51063	13621	0	8148	9927	27870	25520	8932	0	0	0	31492	23670	0	18192	11038	20462	21832	16844	0	29467	18323	8817	16753	9355	8099	15282	16522	32225	20127	6312	24717	15021	8783	40181	75305	73389	19074	11176	11423	7720	13826	0	12333	19301	6623	13162	11503	8938	18562	26790	11159	15078	13202	8932	13035	16162	16490	22276	8784	16108	0	21582	25395	16136	21207	20316	12962	7799	15654	15457	13460	13878	0	12321	32801	Lipid	0.3846154	1.3461539	0.038461536
20	C26 H35 O10 N1	522.2334	522.2341	0.08143741	522.2334	958650	951464	978032	857436	807124	692942	548270	1088372	854122	1723218	898474	574108	1161606	543790	891460	1048466	550516	1036640	1311472	2168434	2121468	895420	884358	1189180	141478	1702726	464858	899694	1026551	900949	154374	849562	986976	943164	1844476	929690	193500	621696	537424	1326228	847582	649336	27220	4816	0	1166148	932980	0	929802	943042	928048	937546	683596	3268	1123250	744836	466826	955574	892142	435200	1141033	805338	954670	823938	408188	842844	611398	552772	1358218	2272374	1762208	956264	889538	999544	612188	766712	0	696231	835536	504666	684708	605842	660474	954832	893212	581208	758668	525156	636198	117212	1004490	1049272	1333114	552372	842876	7224	988648	1068228	640850	587552	685214	919658	579668	1169480	735508	891910	735300	0	641424	1041982	Lipid	0.3846154	1.3461539	0.038461536
10	C26 H35 O10 N1	522.2334	522.23425	0.123459816	522.23346	17372	14809	11104	14081	5731	6566	7848	21411	6662	22121	10700	6921	9402	2350	7505	10344	7841	8753	7549	33479	24704	18816	7579	17847	11633	10422	7635	10941	19252	14947	10713	14582	18450	14273	30304	16014	17211	7486	13218	21725	10648	8639	0	0	0	12824	11633	0	15629	11559	16642	16158	6928	0	12383	6256	3838	16807	6511	7854	12034	8574	5337	5892	2918	6745	4923	14965	8307	18463	11935	11388	11233	16514	10038	11913	0	10523	11050	13551	8873	6047	6892	11988	4013	4729	8677	5039	8474	17703	16856	18508	26281	10544	21248	0	12848	13074	4616	4326	5246	16555	6730	17773	0	13939	4893	0	9142	11391	Lipid	0.3846154	1.3461539	0.038461536
18	C26 H35 O10 N1	522.2334	522.23413	0.07853345	522.2334	571552	563002	516544	490616	140940	322942	344998	688714	362854	861892	525138	338498	460306	241214	490036	644214	172406	492156	617414	1044100	865294	517600	515262	657012	425608	850514	310140	471682	696934	558922	486486	551680	608214	505634	858030	615624	538578	162756	412018	619252	479110	319096	8088	792	0	578310	444198	0	512020	544268	539124	539756	340184	1102	606970	383198	241388	531362	473760	315772	589588	411916	462024	407248	222064	403726	334036	437896	671812	919612	854398	504914	469740	579078	467242	588808	0	389832	546124	100396	463910	334740	429910	405854	443498	296050	456876	318820	344990	471408	537932	629092	778638	289654	514920	1188	527420	583602	361309	388188	371848	609540	339576	667306	308222	167512	354636	750	389184	455484	Lipid	0.3846154	1.3461539	0.038461536
24	C30 H35 O7 N1	522.24866	522.2492	-0.026547896	522.2486	3240	5146	5385	7366	2953	1900	2727	5933	3668	5728	14971	3144	0	2032	4233	5713	4917	3811	2298	6991	9236	3278	4561	8120	3540	24760	1997	15944	4044	5372	5022	6090	5163	4795	3594	3205	4657	2035	3560	13211	14082	0	0	0	0	6444	6912	0	5278	3850	6400	3709	6326	0	1214	1607	2693	4683	5098	2966	5517	8935	0	3702	2714	2706	6426	6279	26563	15170	19768	4370	3354	4926	0	5105	0	3590	4172	6078	4751	4083	3791	10091	4671	0	11681	3502	5151	10455	6940	4839	11490	8300	6097	0	5906	4942	2954	3348	2802	5128	2560	4132	4947	6490	4890	0	6132	0	Phytochemical	0.23333333	1.1666666	0.03333333
10	C24 H35 O8 N5	522.25586	522.2564	0.26783895	522.256	2440	0	2228	2646	0	3158	0	0	0	0	4402	0	0	0	1048	1414	0	0	0	0	0	0	1118	0	2643	0	0	42519	2303	0	0	0	0	0	0	0	2093	1097	0	0	0	0	0	0	0	0	0	0	1535	1068	2159	2925	0	0	0	0	0	2251	0	0	0	0	0	0	0	1279	0	0	0	0	0	0	0	1190	1469	1255	0	1248	0	171610	1344	0	0	0	0	627	1252	0	0	1651	214395	50623	3072	17221	2996	0	0	3392	0	0	1157	1702	0	0	0	1404	0	0	1160	0	Peptide	0.33333334	1.4583334	0.20833333
8	C24 H35 O8 N5	522.25586	522.25665	0.18739045	522.2559	1635	2862	2834	2164	0	4350	1530	1341	0	0	1274	0	1199	0	1184	1424	0	0	1152	0	0	0	1994	1355	1586	0	0	33071	0	0	0	1674	1400	0	0	1148	3147	1224	1103	0	0	0	0	0	0	0	0	0	0	1939	1475	1459	795	0	0	0	0	2394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1527	0	1449	0	1524	0	139304	736	0	0	0	0	0	1169	0	0	1267	107200	35551	2536	9781	1611	0	1854	1337	0	0	0	1532	826	0	0	967	0	0	767	1046	Peptide	0.33333334	1.4583334	0.20833333
12	C24 H35 O8 N5	522.25586	522.2562	0.20185299	522.2559	2052	0	1806	0	0	1142	0	2843	0	2630	0	1103	1456	0	3214	2785	0	0	2407	2186	0	0	1939	0	2159	0	0	25393	1820	0	3122	2652	3091	0	2057	2758	0	2010	3586	2528	0	0	0	9218	1588	0	0	0	3391	0	0	2339	0	0	0	0	0	2739	0	0	0	0	0	2190	0	0	1142	0	0	1135	0	1997	0	1864	0	0	0	965	3070	166440	2613	0	0	1342	0	740	3450	0	1338	0	113510	25206	6871	11223	1198	0	2810	0	0	0	914	2449	0	0	0	0	1149	0	4509	0	Peptide	0.33333334	1.4583334	0.20833333
18	C27 H39 O9 N1	522.2698	522.27045	0.025612077	522.2698	66926	59759	61594	55399	50542	36568	49727	90671	41179	51417	49371	50872	56660	32449	56341	112791	66171	62807	66234	112565	99927	57374	70726	99338	47323	117979	47237	45661	91839	83061	62382	84024	72305	64395	65332	83374	79360	57390	66121	54547	57752	48185	1396	0	0	61343	46375	0	75689	72519	61908	64299	51003	0	64519	50738	35595	82000	49337	50271	95965	34135	45427	41849	30751	51020	44932	69664	0	86940	105404	66005	57547	83468	78200	63990	0	42367	63872	39546	62550	35788	48446	44478	63116	45464	59691	42666	43657	79229	80609	77513	114869	29911	50128	0	56739	72117	37528	42934	54181	93544	43866	96119	35156	64304	50101	0	56128	45131	Lipid	0.33333334	1.4444444	0.037037037
26	C27 H39 O9 N1	522.2698	522.2705	0.012613224	522.2698	39055	34536	38769	36965	60387	25508	13047	42508	49219	65112	36280	18850	66601	28068	30153	38517	24704	46300	68006	94978	83980	48653	33283	51546	36821	96202	14775	37214	36159	34329	36140	28402	40729	32124	81533	30201	44671	24268	24567	54286	40311	27010	0	0	0	54177	32987	0	36004	37647	43897	38140	44109	0	56689	37218	23087	51638	29863	17569	43808	32739	55268	44620	17296	44277	34479	18379	93294	134911	126091	38850	31821	30845	18457	26520	0	27859	35941	13949	28791	21668	23464	35894	49935	28995	33422	23700	27891	24294	67481	67114	78608	18354	35844	0	42735	42949	29495	45397	45541	42226	20269	45967	29029	38268	37101	0	21846	58338	Lipid	0.33333334	1.4444444	0.037037037
14	C27 H39 O9 N1	522.2698	522.27057	0.08469786	522.2698	9610	10315	12007	10972	4284	5249	7371	16279	4298	8614	5086	8938	5648	2438	11135	17661	10239	8414	5565	18452	15371	13248	7861	15277	11647	9616	7690	11515	14235	8905	13567	13613	15442	10757	10889	13145	11295	8516	14549	7692	8127	4947	0	0	0	10385	0	0	12717	13994	8571	8961	6005	0	5614	4027	2698	13140	0	6997	18625	5517	6308	5471	1587	3931	6272	15953	0	11457	7277	10518	10462	13127	12431	14954	0	9878	5893	0	8312	3964	6719	10062	5469	4283	8233	4517	5571	18597	22603	7343	22287	6451	8610	0	9612	14341	1755	4672	4032	10057	6588	14728	0	11613	4991	0	8197	0	Lipid	0.33333334	1.4444444	0.037037037
16	C27 H39 O9 N1	522.2698	522.2705	0.038588084	522.2698	25171	22200	23759	20942	12358	10209	24316	34149	12634	16110	13610	22233	19880	6743	19614	40098	33185	11515	22023	40531	30484	23944	27755	41052	21799	39908	20268	15774	35566	33971	25412	32080	34229	25298	24613	40045	27856	18350	25289	21010	18591	18638	445	0	0	19142	17157	0	38023	36293	20303	21939	15630	0	21071	16119	13720	32711	14061	23324	35371	11821	12377	11793	9724	17038	14225	31044	22883	32910	32118	19091	26553	27791	31765	29919	0	24132	27747	13200	25571	7764	18757	13415	23367	15127	29064	10468	16374	32784	35030	32200	42661	11941	23384	0	27562	32062	11530	9680	13828	31305	16682	35162	13406	25680	16906	0	22991	9027	Lipid	0.33333334	1.4444444	0.037037037
10	C25 H39 O7 N5	522.29224	522.2935	0.14967488	522.2923	1458	2004	1199	0	0	3531	0	1005	0	0	2116	0	0	4095	0	0	0	0	0	0	0	0	0	0	0	0	0	30096	0	0	0	0	0	0	0	0	1138	0	0	0	0	0	0	0	0	0	0	0	0	0	1434	1524	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	132934	0	0	0	0	0	0	0	0	0	1543	189296	40071	0	6980	0	0	2016	1181	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.28	1.56	0.2
8	C25 H39 O7 N5	522.29224	522.293	0.22220336	522.29236	0	0	1714	1034	0	2092	0	0	0	0	985	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	83005	0	0	0	0	0	0	0	0	0	0	0	0	0	1263	0	0	0	0	0	0	0	0	1452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	100714	0	0	0	0	0	0	0	0	0	0	113980	23412	0	3889	0	0	1370	2277	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.28	1.56	0.2
12	C25 H39 O7 N5	522.29224	522.29224	0.27335605	522.29236	0	0	0	2276	0	1621	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24307	0	0	0	0	1861	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	115407	0	0	0	0	0	0	0	0	0	0	108421	37147	0	3481	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.28	1.56	0.2
26	C28 H43 O8 N1	522.30615	522.3069	0.048440773	522.30615	61773	59812	65517	60977	92650	46681	33722	66179	92272	66149	56560	32282	84926	54384	54522	63482	45547	72811	125537	118333	93332	50978	62175	73953	63704	121117	31223	66493	83383	69546	59330	58190	98250	56728	85216	86323	88706	44988	42594	71407	56814	52440	0	0	0	71666	39668	0	64780	64534	58237	59033	73538	0	126381	88268	46096	65100	57841	32650	74518	46740	81956	75855	33059	67103	52833	46312	130529	145351	129224	55842	53903	71775	46525	59704	0	43246	72452	38342	51122	31756	45073	52730	106003	55994	71196	35678	49982	48174	67059	84786	80613	38554	53953	0	66750	71820	54611	89044	104829	95866	31823	86966	45642	61638	93062	0	47131	75852	Lipid	0.2857143	1.5357143	0.035714287
28	C28 H43 O8 N1	522.30615	522.3068	0.03263985	522.30615	9858	8858	9258	8360	18727	4562	7289	9308	14208	7827	10909	3916	8169	8348	6060	8109	7594	7760	15090	12798	10242	8650	6853	7607	9377	29878	5914	11515	9978	7886	8673	8780	10448	7543	13733	14291	7833	6288	8946	9799	9776	5508	0	0	0	7091	6992	0	8300	7437	9597	6760	11867	0	16279	16092	4499	10005	7208	5776	10719	6677	10803	11569	5193	14408	8684	8257	27242	28100	32417	7062	5888	8303	4881	7995	0	6815	14135	6353	5644	4059	6978	10588	16584	7474	17525	6309	6136	10421	9010	9773	10742	5543	3851	0	7870	8729	9600	16580	22263	12995	3571	10725	4484	9079	15226	0	7712	8831	Lipid	0.2857143	1.5357143	0.035714287
28	C29 H47 O7 N1	522.3425	522.3432	0.05291158	522.3425	6389	5555	7776	5218	10757	3734	9739	9287	7946	2467	4334	1908	5240	3250	3773	5917	6401	3781	8308	3028	2295	1950	3523	4219	10703	7917	7347	7331	8015	8857	6170	8450	11010	4989	3768	9659	7669	4081	4943	3817	2003	3768	0	0	0	2626	0	0	7134	5577	5136	4813	7676	0	13280	11212	4624	5972	6176	3621	6380	3072	5050	7963	4559	5594	4887	6382	6302	4666	5940	3693	4301	8728	3152	5597	0	5234	9349	7602	5415	2308	7293	5318	17986	8716	16539	2460	5142	8089	4861	6951	4122	3755	0	0	6628	5834	7446	15549	22952	11447	3321	7986	3254	5594	18584	0	8275	5188	Lipid	0.2413793	1.6206896	0.03448276
18	C29 H47 O7 N1	522.3425	522.34326	0.29433644	522.3427	56272	55828	52432	53257	0	0	10919	416146	0	0	10433	119836	0	0	20854	598555	6512	0	0	1817	0	0	0	0	5277	0	41971	3465	319258	569887	396035	165510	60232	106855	0	243945	57004	18003	2489	0	0	0	0	0	0	0	0	0	432588	505069	54938	54434	0	0	0	0	0	322499	0	0	406409	0	0	0	1900	0	0	34716	0	0	0	420280	313785	435544	450274	364004	0	98495	0	0	0	0	0	0	0	0	0	0	0	1648	0	0	0	0	0	0	52089	58027	0	0	0	62897	79205	0	0	4372	0	0	1174	0	Lipid	0.2413793	1.6206896	0.03448276
24	C29 H47 O7 N1	522.3425	522.3432	0.003861401	522.3425	15285	17814	20263	19710	27670	13144	17573	20018	19556	8016	12718	10615	15689	14104	14183	32164	37085	16918	32501	9811	8793	5442	16493	14553	20005	15957	21411	14229	23318	26294	15680	22717	30974	15383	4325	30201	24719	17982	37087	8932	10588	15331	0	0	0	12606	10827	0	24725	23586	19515	18782	24767	0	22652	22082	10905	28484	12429	15287	26433	5187	18148	17981	10503	13629	16307	38716	11055	15083	12331	11108	19345	24833	28697	24897	0	17329	22187	15034	16873	7441	14545	7423	37605	20293	29579	13472	16180	26502	20786	23153	21187	6523	7831	0	16569	14757	20819	27374	43491	37854	14527	21906	5616	18442	32719	0	17743	14776	Lipid	0.2413793	1.6206896	0.03448276
20	C29 H47 O7 N1	522.3425	522.34326	0.05073923	522.3425	1621	0	0	1806	0	0	0	2407	0	0	0	1812	0	0	0	2073	1437	0	0	0	0	0	1283	0	1332	0	1541	0	1910	3425	0	2813	1762	0	0	3170	1671	0	2420	0	0	0	0	0	0	0	0	0	2626	3072	0	0	1332	0	0	0	0	3863	1036	0	4124	0	0	0	0	0	0	2517	0	0	0	2627	0	6121	20141	3738	0	1065	0	0	0	0	0	0	0	1518	0	0	0	3279	0	0	2935	0	0	0	0	0	0	0	0	5317	0	0	0	0	2009	0	0	0	Lipid	0.2413793	1.6206896	0.03448276
14	C29 H47 O7 N1	522.3425	522.34314	0.034946926	522.3425	0	0	1538	0	0	0	0	16544	0	0	0	2945	0	0	0	45176	0	0	0	0	0	0	0	0	0	0	0	0	10875	17303	11310	46970	0	4704	0	7107	1709	0	0	0	0	0	0	0	0	0	0	0	13649	17298	2516	0	0	0	0	0	0	4673	0	0	0	0	0	0	0	0	0	0	0	0	0	11003	10940	11140	5922	6913	0	2206	0	0	0	0	0	0	0	0	1198	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3115	1531	0	0	0	0	0	0	0	Lipid	0.2413793	1.6206896	0.03448276
16	C29 H47 O7 N1	522.3425	522.3432	0.11404729	522.3426	3775	6287	3935	3319	2172	0	1213	47112	0	0	0	5650	0	0	0	58661	0	5553	0	0	0	0	0	0	0	0	1423	0	36588	57683	36291	40830	10112	9236	0	30446	8246	0	0	0	0	0	0	0	0	0	0	0	40504	90300	3264	7500	0	0	0	0	0	33203	0	0	43308	0	0	0	0	0	0	0	0	0	0	38149	38089	71952	10975	35449	0	6527	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2857	4613	0	0	0	7440	6068	0	0	0	0	0	0	0	Lipid	0.2413793	1.6206896	0.03448276
18	C29 H51 O5 N3	522.39014	522.3905	0.13597065	522.3902	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9536	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59137	0	0	0	0	0	0	6777	0	0	0	0	0	0	0	0	0	0	0	3085	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2209	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1263	0	0	0	0	0	0	0	Lipid	0.1724138	1.7586207	0.10344828
24	C22 H18 O15	523.07184	523.07275	0.40857363	523.0721	2257	1979	2084	3714	4650	3399	0	0	9750	1946	1436	879	20324	1635	0	0	0	6977	5786	0	2033	6480	2033	0	0	0	0	0	0	0	0	0	0	0	5163	0	0	1105	0	1229	0	0	0	0	0	1546	11053	0	973	0	3086	2207	3031	0	8303	9310	3483	0	0	0	0	2412	13889	7429	2570	6243	1922	0	0	1837	0	0	0	0	0	0	0	0	1238	6677	2008	3917	0	0	9548	0	0	0	1425	0	0	0	1483	6589	4318	0	1685	0	4400	7022	7018	0	0	0	6010	0	6818	0	0	15345	Phytochemical	0.6818182	0.8181818	0.0
16	C22 H18 O15	523.07184	523.0728	0.2998437	523.072	6582	4878	6032	2640	20808	6087	0	0	19470	3077	2000	0	37913	4156	1474	0	0	13810	11106	0	0	15877	2933	0	0	0	0	0	0	0	0	0	0	0	2517	0	0	0	0	1777	5702	3236	0	0	0	3151	13138	0	0	0	3608	4329	9846	0	14155	17582	5272	0	0	0	0	2728	43965	21499	5204	22394	6806	0	0	0	0	0	0	0	0	0	0	1291	3009	6983	3400	4849	0	0	26151	5730	3361	4261	3926	0	0	0	0	22165	6496	0	2691	3040	20823	32981	29038	0	0	0	7931	0	17935	0	0	32686	Phytochemical	0.6818182	0.8181818	0.0
28	C22 H18 O15	523.07184	523.0727	0.39424133	523.0721	2378	2566	2374	2769	6029	3871	0	0	8013	2278	0	0	20498	2710	0	0	0	7582	3758	0	0	5065	0	0	0	0	0	0	0	0	0	0	0	0	2776	0	0	0	0	1606	1750	0	0	0	0	0	4749	0	0	0	3145	2184	2923	0	8252	5160	1599	0	0	0	0	1849	13972	4818	1733	5429	1201	0	0	0	0	0	0	0	0	0	0	0	1776	0	2834	2990	0	0	8012	0	2382	0	0	0	0	0	0	4883	0	0	2281	2206	5048	6496	5318	0	0	0	4029	0	5677	0	0	15877	Phytochemical	0.6818182	0.8181818	0.0
14	C22 H18 O15	523.07184	523.07275	0.20385857	523.07196	4000	3395	2667	2991	16941	3656	0	0	15399	0	0	0	27729	1502	0	0	0	10632	8695	0	1431	16190	3027	0	0	0	0	0	0	0	0	0	0	0	2337	0	0	0	0	1462	0	2278	0	0	0	0	20820	0	0	0	2739	3003	6558	0	8362	15815	5821	0	0	0	0	0	30379	12948	4358	17427	3315	1285	0	0	0	0	0	0	0	0	0	0	1587	0	3760	6736	0	0	27275	0	2364	4199	1739	0	0	0	0	15749	2860	0	4688	3033	14537	27234	23065	0	0	0	0	0	16896	0	0	33383	Phytochemical	0.6818182	0.8181818	0.0
20	C22 H18 O15	523.07184	523.07275	0.32213247	523.072	4666	5380	3258	5601	14979	5892	0	0	17865	2323	0	0	29287	5323	1730	0	0	9210	9062	2851	3098	6966	4412	0	0	0	0	0	0	0	0	0	0	0	4337	0	0	0	0	2797	2158	3037	0	0	0	0	12823	994	0	0	4600	4794	8043	0	13646	18064	4016	0	0	1055	0	2967	31043	13564	3542	13310	2063	0	0	0	0	0	0	0	0	0	0	0	4009	5467	2523	5888	0	0	20328	4739	2370	3032	3346	0	0	0	0	14555	8294	0	2232	5464	13162	21779	22052	0	0	0	8908	0	14659	0	0	33366	Phytochemical	0.6818182	0.8181818	0.0
14	C23 H22 O14	523.1082	523.1091	0.15470517	523.10834	38434	39325	40859	39094	60155	28117	6815	8387	72071	52270	45478	14672	106794	23292	18418	9495	10997	70873	65107	34415	49794	110757	27323	11377	6155	6381	6966	12093	5973	5004	8245	7823	14736	6157	74137	5709	13966	15319	7838	29235	39067	15643	0	0	0	81746	161667	0	10555	8239	31086	36730	31426	0	58545	60422	28330	17225	12587	8896	21819	26883	130630	63293	23888	79313	22007	12791	0	12726	20137	7758	5290	3952	9482	7495	0	10665	35675	44621	30601	69532	4189	10045	69833	37554	23961	21713	18062	14512	4352	13903	19806	91941	71184	0	41990	30898	59980	68928	66592	9816	11536	10242	139431	12994	48201	0	12127	87769	Phytochemical	0.6086956	0.95652175	0.0
8	C23 H22 O14	523.1082	523.1092	0.15985793	523.10834	6280	4990	2930	4168	8682	3176	1416	0	14898	6632	8506	4572	27530	0	2846	2182	2566	8902	10712	4332	5758	11120	3504	2110	0	0	3344	0	0	0	1686	0	1978	2430	14086	0	2274	1932	2880	2632	8550	3040	0	0	0	10080	20730	0	0	0	3694	3076	5216	0	9785	13680	4832	0	0	2906	0	3506	28308	14358	0	9820	4858	0	0	0	3276	0	0	0	3334	0	0	0	8420	0	3824	7040	0	0	21086	0	6380	4592	6762	2832	0	0	0	11734	6548	0	6564	5475	14260	31602	26188	0	1708	0	0	1876	16276	0	0	19960	Phytochemical	0.6086956	0.95652175	0.0
10	C23 H22 O14	523.1082	523.10925	0.29425594	523.1084	23124	18076	14166	15576	33576	14356	5970	7260	41874	37258	20660	10470	70498	10714	6138	6044	8332	34714	33170	22156	28968	41614	10814	5130	0	0	3508	0	3208	3860	5606	3862	10314	2286	53274	3884	5086	9092	12260	7004	37610	7344	0	0	0	21174	66960	0	6620	7596	23114	19602	15826	0	39038	34786	19230	8224	0	12500	0	8922	67448	42100	11920	43088	15128	12948	0	0	13092	0	3828	3108	11924	4084	0	5028	21332	21886	16764	22736	2034	3190	48366	17478	19110	10296	13380	9460	0	0	4282	54078	35924	0	19346	22284	37100	56786	49158	6970	4930	5222	40700	8718	37157	0	5434	70204	Phytochemical	0.6086956	0.95652175	0.0
22	C23 H22 O14	523.1082	523.109	0.29694435	523.1084	8564	9033	7810	10248	17949	10475	1257	0	23002	14503	7446	2025	33353	5341	2003	2097	2140	23040	12139	9125	8933	27141	6730	2866	1754	0	2042	0	0	0	1960	0	0	3174	18418	0	4213	3759	0	3856	10001	2011	0	0	0	30202	33537	0	1885	0	8609	7432	7116	302	21538	17158	5444	1944	3695	2031	1839	8084	38313	41632	5262	14341	5167	1950	0	7049	8325	1175	0	1191	0	1403	0	3965	4116	13554	6788	36115	2631	4111	23947	9513	4991	2359	7656	1653	4486	9299	0	20390	24396	0	7916	9014	12665	12204	16052	0	1548	1645	29891	2826	12810	0	1955	31784	Phytochemical	0.6086956	0.95652175	0.0
14	C22 H22 O13 N2	523.11945	523.1204	0.2802694	523.1196	9669	11390	8161	10033	12422	4953	0	0	15576	11561	13604	5461	24332	3408	4240	5398	5876	13756	13201	11188	16997	42728	3209	4177	1895	1260	3321	0	2334	0	3553	0	5264	2672	22403	2382	5650	3941	5620	9108	23428	6828	0	0	0	29928	92169	0	3318	3567	9529	9067	6638	0	20046	11472	4902	5380	0	6340	0	19046	24891	17039	5269	13730	6576	9087	0	1895	5564	2666	1998	2458	4212	2221	0	4360	5692	26469	4826	28583	2122	2739	17552	3545	5675	4101	6054	5363	0	5449	13275	36934	23461	0	13746	8166	9221	16685	15175	3245	4956	5132	60648	7357	9919	0	2604	28952	Phytochemical	0.59090906	1.0	0.09090909
12	C22 H22 O13 N2	523.11945	523.1205	0.29394418	523.1196	40872	51030	34552	47041	62464	23886	8297	10918	69811	48316	38452	23436	87804	16780	15236	17058	22734	59406	60858	41668	75172	120812	29680	15842	3134	1818	5276	0	2767	11180	9992	9201	22598	11000	81925	9371	16930	16945	17473	37503	74419	27103	363	0	0	96161	215303	0	9511	12843	38521	47876	36138	0	83112	53185	24192	16158	18014	8176	0	46623	149885	70666	27691	73488	26022	19375	0	10167	26753	11052	9340	9401	12732	9248	0	15684	42701	18160	31851	95009	7913	10777	76274	29630	31226	25865	25256	28549	4012	12992	24267	132887	70565	0	49493	49059	65026	72438	68072	22389	16754	12412	187549	21058	56054	0	11199	114587	Phytochemical	0.59090906	1.0	0.09090909
20	C22 H22 O13 N2	523.11945	523.1205	0.27288756	523.1196	2945	3223	2423	1847	3755	3449	0	0	4248	2409	0	1156	9868	0	0	0	0	3226	4919	5464	5255	10954	0	2158	0	0	0	0	0	0	0	0	1620	0	5131	0	0	0	1876	0	4108	0	0	0	0	9791	20021	0	0	0	2652	0	1326	0	5399	3141	1274	0	0	0	0	5326	7570	5668	0	2718	2566	2047	0	1972	1658	0	1126	0	2135	0	0	2571	4287	4975	1230	9654	0	0	4619	2296	1458	1038	2386	1737	0	0	2037	9000	3597	0	2144	0	2836	3853	3587	0	1467	2084	14312	2176	1473	0	0	4253	Phytochemical	0.59090906	1.0	0.09090909
10	C22 H22 O13 N2	523.11945	523.1205	0.31040743	523.1196	4656	5663	5088	4868	8252	1832	969	2047	8286	7233	5327	3173	15383	1410	1271	1892	3859	7211	10177	6387	10678	15504	3423	3075	0	0	0	0	1868	0	1343	2502	2394	1908	11177	1203	2678	2213	3715	6648	18441	3316	0	0	0	21644	42530	0	1368	0	7126	7448	4918	0	10706	7509	2162	2556	0	6266	0	7936	23072	13449	4754	8267	3889	4481	0	0	0	2054	1876	1521	1320	2103	0	1563	3548	10862	3485	12458	955	1859	11322	2724	2835	3463	3322	8238	0	2341	4457	19709	11645	0	3391	3447	7672	11010	9787	4237	2488	0	16484	3948	5172	0	1088	18633	Phytochemical	0.59090906	1.0	0.09090909
18	C22 H22 O13 N2	523.11945	523.12036	0.20770727	523.11957	12909	14862	21258	19902	16770	10512	3432	0	22699	12885	9000	6672	56220	7467	7098	0	0	26940	17820	12357	22689	56178	8868	10074	0	4029	6285	0	0	5061	0	0	15108	0	24801	5682	10713	7941	4554	12669	25728	9456	0	0	0	53931	104430	0	4944	5640	14235	14796	15792	0	50232	17316	0	3501	10041	5934	0	24345	46686	32199	6975	36042	8502	0	6690	6531	9132	0	4317	0	7638	0	0	6477	14709	36627	11214	66588	4437	4533	23358	8700	6780	7449	6384	8418	0	11640	14346	35043	30336	0	6555	12459	10227	16644	8079	7617	5442	9312	68907	8847	17697	0	8853	34713	Phytochemical	0.59090906	1.0	0.09090909
10	C24 H26 O13	523.1446	523.14557	0.23659937	523.1447	23877	21202	19379	16980	12585	9158	10614	16606	22832	46811	27979	12974	19056	5769	10412	15150	15316	16357	19806	27482	33418	61370	13070	16331	3769	11136	9261	9382	9716	11939	10411	13645	13261	9708	52472	11120	11766	11603	17951	17749	52276	8826	0	0	0	30005	118140	0	15170	13650	18670	22041	8857	0	17419	12863	8750	15899	8791	13890	11552	14812	20686	17235	8647	18957	8440	19003	16222	13654	22916	12174	11962	10075	10250	10227	0	7589	16751	16123	13943	59470	9551	10057	16767	11706	14494	9221	6671	15491	6310	9702	17193	66998	29636	0	18835	24280	17737	17489	18453	13471	7885	13486	39175	12552	17321	0	10432	23336	Phytochemical	0.5416667	1.0833334	0.0
10	C23 H26 O12 N2	523.1558	523.15674	0.1318447	523.15594	35387	36589	31216	32200	22033	14301	16466	31630	28201	57973	31963	28230	38247	9354	22089	33363	24407	28670	34591	47771	60134	66024	27966	35188	11299	7711	16682	8884	24297	24721	24829	29926	30877	19014	64731	22350	32216	18441	28336	47705	57077	15644	0	0	0	60886	81851	0	29288	25654	34683	34018	17054	0	40616	21026	12186	30476	26381	31033	30050	36188	42487	37231	12255	31255	22061	29579	11428	11608	19781	24646	26848	25635	19536	23863	0	18408	23179	31826	20168	39807	18484	20510	24272	14174	23456	21115	16839	32918	21233	27125	45110	50596	57030	0	36891	36055	16775	26081	24121	30963	17051	40369	49518	29611	20263	0	16917	38355	Phytochemical	0.5217391	1.1304348	0.08695652
14	C23 H26 O12 N2	523.1558	523.1567	0.08340615	523.1559	46437	49698	44453	49831	31263	25080	30167	41316	34580	80394	31989	34375	58440	13248	40605	41444	27419	53716	50970	75183	78784	120480	39336	51973	32978	8156	24444	24619	45949	34642	35346	44220	54256	40222	98525	37873	51343	35017	30670	76640	65753	30779	0	0	0	105648	101644	0	36925	37910	45621	44572	26294	0	69928	26924	17127	53310	64174	25648	54201	64509	66309	44077	17938	41125	34049	29696	0	19962	18569	44404	37181	38718	29541	33848	0	30597	33527	55450	31748	73156	25654	29600	32410	33675	36811	29757	31869	48624	36379	57682	72029	65814	68464	0	55952	52424	20600	29438	27165	47715	38198	59672	132992	47501	26930	0	26008	63888	Phytochemical	0.5217391	1.1304348	0.08695652
20	C23 H26 O12 N2	523.1558	523.1567	0.22845961	523.15594	7560	4711	8110	6986	6244	7642	6287	4823	6524	13822	3319	2817	13141	3278	7470	6703	2010	6999	9186	9546	9277	16278	6012	7510	9534	1231	3405	0	8426	3655	5972	4584	10049	4840	10447	6092	6395	4941	2954	10460	4092	2923	547	0	0	22410	21888	0	5366	7634	4336	4100	5684	0	11084	4180	3861	5541	8381	3287	7016	8169	11871	7027	3062	9504	4504	2641	2009	2618	6876	6639	4664	4780	2590	3880	0	5543	10189	5994	8592	14213	3803	0	8782	4374	5395	4425	2840	5589	6375	8990	12049	8121	9882	0	8655	5915	4151	8096	4609	4237	3820	4483	15605	8204	0	0	4572	10162	Phytochemical	0.5217391	1.1304348	0.08695652
12	C23 H26 O12 N2	523.1558	523.1567	0.06828636	523.1559	55867	47199	41905	46249	25606	24015	32550	48266	37024	72263	36159	26811	56283	9897	37224	34087	34485	52253	46890	78687	80267	112057	34486	43462	21132	7472	24443	22153	39240	29754	38270	32397	46847	34477	112086	36244	47707	34580	36413	84385	78294	25512	366	0	0	102168	124825	0	40571	43896	47663	47741	24425	0	54708	26080	18131	43881	54457	34903	30543	62311	69267	45581	16169	39787	28553	46963	0	22109	24295	36912	37025	35893	23913	33381	0	32149	35460	35607	31847	69214	24386	31020	34807	18121	30417	21712	29315	60290	26864	47078	60169	68790	57928	0	50084	42526	30541	24874	24730	44268	26759	43340	105090	41320	24082	0	26243	60515	Phytochemical	0.5217391	1.1304348	0.08695652
16	C23 H26 O12 N2	523.1558	523.1567	0.164984	523.15594	38273	41578	35734	39106	23452	24579	17459	31091	36705	70114	21050	15707	44180	8782	22191	30236	18409	42157	42235	50894	48045	70918	29256	38021	21148	5857	19223	13220	28790	24340	33517	31514	42523	27442	70329	32674	39522	25434	20555	59054	37367	18634	383	0	0	71897	59480	0	37024	23178	43555	35947	22797	0	49713	23902	16962	33873	39989	20231	27278	38874	52032	33031	15771	35677	21138	20834	6475	16526	16318	31540	28431	25303	17614	29016	0	24110	23821	30872	20584	58458	21983	24214	26658	21784	21926	16985	24359	37653	23174	44543	56913	41378	59149	0	45133	34243	16549	18470	19658	28734	20031	31426	65883	37462	18162	0	20608	54917	Phytochemical	0.5217391	1.1304348	0.08695652
26	C28 H26 O10	523.15985	523.1605	0.09952949	523.1599	11129	9804	10464	9367	15555	7116	0	0	16803	25310	19228	0	18171	10372	0	0	0	10942	14055	20625	26474	12235	0	0	0	35087	0	15096	0	0	2864	0	2944	2441	33442	0	3089	0	0	13591	14367	0	0	0	0	7718	16351	0	0	0	7574	8152	8403	0	12405	15378	5004	0	0	0	0	8142	19529	14257	3879	14279	3979	0	34821	41388	57963	0	0	0	0	0	0	0	7536	13283	7222	10822	0	7870	21988	7680	6989	3323	3586	2220	4224	3980	0	16335	24100	0	9591	8212	12180	15744	19533	0	0	0	0	0	10257	0	2754	17153	Phytochemical	0.35714287	0.9285714	0.0
28	C28 H26 O10	523.15985	523.16046	0.055270776	523.1599	4017	3122	5510	3333	5624	1685	0	0	7446	14661	7570	833	9878	3512	0	0	0	6372	6995	7402	7849	5313	2636	0	0	13199	1176	5588	0	0	1204	0	1284	1098	16927	0	1990	1138	1481	5194	7681	2581	0	0	0	4359	4718	0	0	0	4199	4690	4629	0	8930	7101	2099	1647	0	0	0	2723	8417	4207	1954	7530	2329	0	20337	22631	33566	0	0	0	0	0	0	1162	5747	6028	3980	2796	1097	4635	9497	0	4190	1497	2056	1496	2107	2218	0	8739	8839	0	3611	3489	6637	9684	9409	0	0	0	0	1126	5044	0	1153	5521	Phytochemical	0.35714287	0.9285714	0.0
20	C28 H26 O10	523.15985	523.1606	0.05540744	523.1599	33775	39541	25493	24410	35063	14125	7885	6892	36651	99394	79607	3744	39195	24285	11816	10392	5472	29018	41755	77870	75577	36604	17542	8651	9662	119150	6245	60417	7448	5344	4336	4511	12603	4044	132718	3479	8454	9297	6372	41463	45572	8936	820	0	0	38385	44389	0	6505	4317	26721	30747	22582	0	28008	26414	17013	11224	10109	7579	7223	26251	46733	24146	17232	32575	15944	6133	95898	135084	143882	8034	3693	2886	4914	5929	0	4999	16779	29189	17590	28553	10347	35212	39845	16961	18603	10076	9969	15020	14336	18006	18635	40512	54798	0	27802	27987	37790	35592	30019	7524	5259	11291	28446	11705	33472	0	8912	38278	Phytochemical	0.35714287	0.9285714	0.0
16	C28 H26 O10	523.15985	523.1606	-0.036172915	523.15985	10890	8045	8691	9483	6332	2798	2455	0	7579	25252	16267	2658	0	5795	0	7343	2029	7952	9707	19737	23124	6445	3589	4529	4825	29904	1541	10958	3440	3920	2351	0	3883	2931	30372	4523	5513	0	2962	7809	11244	1392	0	0	0	6560	10164	0	3513	2614	7109	6105	6531	0	9327	8248	2362	4301	2867	0	0	5678	13312	3747	2952	4552	3982	4534	20873	26216	41006	3155	0	2258	0	3186	0	4450	7609	8087	4810	9073	3634	10807	8010	4815	8156	3017	3389	0	4904	0	0	6109	10815	0	8890	6653	4330	8109	7430	4464	1536	0	0	0	7975	0	4273	6606	Phytochemical	0.35714287	0.9285714	0.0
22	C28 H26 O10	523.15985	523.1606	0.09223446	523.1599	23777	30767	28128	26360	38878	19545	7572	3114	40404	111773	77605	5840	37585	24250	7322	9397	5427	34859	41696	67102	81033	37986	15286	9785	10018	103311	3996	62098	4492	3742	2895	0	10387	6250	128389	6480	9730	8194	6696	48047	46010	9471	0	0	0	40970	44611	0	4653	2646	28550	29050	22698	0	31993	27634	14767	9841	9024	5036	10413	32343	47749	30558	15075	34304	21585	5274	96102	137925	151031	5026	2578	3003	3073	2452	0	7638	26463	30086	17017	27983	8952	37476	45130	23061	23926	9454	15004	11942	14367	16135	11660	43923	49650	0	27007	24553	37613	36765	33029	7798	4195	11543	28164	6870	24877	0	9802	39375	Phytochemical	0.35714287	0.9285714	0.0
18	C25 H30 O12	523.181	523.1818	0.1455858	523.1811	261834	254036	243861	232437	176882	174111	128772	230679	232098	609961	214276	120225	298334	101126	191766	172322	83150	253566	285276	510581	399350	341935	184418	218828	167105	198151	108035	193496	219310	183099	215520	213347	226958	183253	738037	214196	242776	164735	108489	658758	177834	112035	4921	419	316	471331	283018	358	206709	178667	247506	232548	151335	632	309403	148195	97412	203993	220392	83912	194194	470462	294023	221526	87301	220776	132411	115397	162827	349135	248676	205918	184367	199169	120061	206735	291	163980	183790	145851	168513	300914	144041	218835	176088	130113	153445	100695	140051	112152	186050	230841	222931	181217	296183	1810	259100	222749	191232	131584	134498	186408	127414	217410	263485	165058	154877	0	136702	261359	Phytochemical	0.48	1.2	0.0
18	C24 H30 O11 N2	523.19226	523.193	0.13465759	523.1923	41291	35642	35201	28960	13437	24489	25881	39001	23020	48980	15485	13342	26914	10211	32628	31270	15609	33317	35500	51046	38675	44050	29445	41921	34372	8203	18493	17435	41392	25712	37476	36313	41032	32624	50262	36929	48622	25501	13755	46904	17499	15794	0	0	0	39238	17698	0	36090	31200	23856	36692	18329	0	36136	16222	16975	39895	40064	7956	31320	26335	26152	18010	11649	19479	20437	14130	5587	14288	6612	40222	22915	31334	12105	27606	0	22100	22073	13899	23081	22199	28936	24764	13939	15473	24093	18761	21417	22906	49278	61898	55551	17941	27140	0	29254	29259	11174	13299	9258	29393	18836	37979	20494	35333	11840	0	20771	32583	Phytochemical	0.45833334	1.25	0.083333336
12	C24 H30 O11 N2	523.19226	523.1931	0.09281221	523.19226	62520	48220	46492	56066	26762	23748	40391	72868	33257	86386	42809	32738	36759	12051	49930	53774	44496	33817	46057	88880	73793	109996	46514	65128	43910	11771	28652	23583	61321	42466	56800	51749	71435	39787	133398	57179	61730	43129	46504	85525	62996	29468	0	0	0	86677	48445	0	56835	55519	57384	58532	25637	0	52560	25838	19369	61565	70039	33583	43596	55790	48193	33562	14164	39287	35333	44783	19485	28289	22779	44980	47257	53042	31636	40079	0	39964	42187	40996	39788	40058	47562	42447	25389	21531	38246	25603	30746	75356	53718	73771	81843	45594	56764	0	51924	55752	21502	25453	21944	54210	32944	67404	50674	57074	20695	0	41444	55603	Phytochemical	0.45833334	1.25	0.083333336
14	C24 H30 O11 N2	523.19226	523.19305	0.07866359	523.19226	71492	62840	62823	62509	25797	33157	49169	84368	45893	108223	47394	34299	55774	15180	76801	66316	42329	50038	52205	112852	79266	123432	61752	94646	64149	17057	40212	43124	67803	58338	60652	77313	87933	52584	146716	65697	79125	55934	39097	98541	39603	41838	0	0	0	102557	62040	0	80105	62502	63575	61144	32527	0	71261	26872	25195	69896	133518	32117	62404	72319	45336	44119	23558	41373	41842	37755	0	40405	25151	59724	61114	64977	37423	61017	0	57045	50002	51452	42894	56152	49842	53898	30417	26752	53106	38600	36726	68448	76813	98943	120376	55273	75909	0	78345	63698	29510	26356	29439	80821	43018	103486	60491	64325	29010	0	50420	63790	Phytochemical	0.45833334	1.25	0.083333336
16	C24 H30 O11 N2	523.19226	523.19305	0.062754504	523.19226	63602	55233	53068	47796	29056	31455	36808	72518	37995	80805	32607	30690	50417	15456	65515	45557	28403	51811	57115	88898	57799	93626	55172	70994	63768	10404	32997	29717	67990	54073	61087	79789	83982	55269	131084	55367	76225	43810	26983	83462	36566	33357	429	0	0	73052	31141	0	64245	51947	54385	65515	35108	0	59421	26977	24231	55324	87428	23441	86049	49144	47953	33816	20915	40104	39053	28425	15138	35047	17998	69089	50384	61396	34179	48583	0	36470	39934	32623	32607	45310	50546	42446	25400	23069	43261	27517	38780	50293	65534	100198	120284	39839	71250	0	63629	60044	20191	25055	19646	69081	40432	72244	54127	64298	24930	0	48281	42184	Phytochemical	0.45833334	1.25	0.083333336
20	C24 H30 O11 N2	523.19226	523.19305	0.34632504	523.19244	9801	9900	13310	8337	7598	10008	8537	15045	6628	9838	4629	5938	10072	5795	15100	10524	5067	10022	8344	15498	16963	14020	6151	13813	14669	4734	5539	3690	16914	10993	12662	10810	20700	12490	16360	12546	13776	11329	4688	12119	5704	7984	0	0	0	15399	7182	0	10669	8766	15189	10454	5622	0	14552	6185	4706	15324	16408	5703	13121	8824	6729	6472	4194	12329	7405	7699	2139	6373	4146	11348	13378	9469	7033	12528	0	12062	9157	3567	7215	9990	10229	0	5578	5220	11881	6082	6774	8234	16029	20631	20646	6690	9453	0	12066	10332	3574	4760	3336	13242	6107	16056	8838	13381	4273	0	9680	14354	Phytochemical	0.45833334	1.25	0.083333336
10	C24 H30 O11 N2	523.19226	523.1931	0.078780666	523.19226	35492	33385	33547	32556	18166	17850	25926	43630	21819	61279	23807	21625	33342	12122	29370	28155	23397	23235	30058	53625	48669	59290	28886	44422	21351	9035	17244	16304	35985	31929	29581	39925	41036	30554	73934	30863	44579	24383	26792	53931	44174	16897	0	0	0	41152	43319	0	35941	29631	38829	38133	15173	0	31416	21571	14060	36437	38484	27116	39589	36820	29309	26806	11191	24903	20904	35627	12180	20645	12966	35950	32923	28953	22952	30243	0	25928	28056	25274	25493	29259	32397	24646	20599	15056	28722	15877	19921	39492	42343	46250	64207	35674	49422	0	41841	37031	14466	19679	20352	40284	17542	50350	28059	35741	16040	0	24584	35895	Phytochemical	0.45833334	1.25	0.083333336
24	C29 H30 O9	523.1963	523.19696	0.0656766	523.1963	36840	39753	33625	41322	49541	22723	9794	20063	55120	97798	88078	10934	59091	29689	16036	18156	7203	37978	43770	85436	82422	33820	22039	24549	14304	168529	5907	76827	11456	10528	12580	11019	19231	11238	120207	11596	20384	12697	13312	55540	66984	13781	0	0	0	42157	43391	0	12752	10750	33518	38790	29684	0	40331	42553	18460	17825	14376	12401	12454	47325	52991	37276	18606	43969	25166	16373	148835	172378	198783	15710	10441	8134	8346	8255	0	10385	34473	29995	27518	29361	15899	53913	58029	25232	26691	14200	16198	17906	20093	22663	28742	35810	40876	0	34884	39467	42154	50192	46640	12075	9375	18871	28393	17852	35344	0	13431	49797	Phytochemical	0.31034482	1.0344827	0.0
20	C29 H30 O9	523.1963	523.197	0.118101686	523.19635	47844	45855	35550	35343	39097	28109	15682	23694	46593	88167	90538	15917	42260	33656	21567	30758	19061	40469	49060	91220	106161	43503	26392	28665	19761	192239	16490	71660	23737	15670	20698	20584	25525	16029	119732	19882	27865	20757	16922	55500	74239	18977	828	0	0	40453	44683	0	21113	21267	35168	37298	32502	0	38338	43674	19922	25875	21642	20994	25739	46155	53797	37266	19885	38325	24516	21254	130670	187287	226838	17382	17892	16418	18785	20460	0	18926	42243	40559	32481	28341	20917	82955	61557	26866	42592	21987	21573	29518	29253	27128	36018	38203	33395	0	43343	39319	43187	44372	46444	21845	15849	29152	27311	29548	37311	0	18156	47037	Phytochemical	0.31034482	1.0344827	0.0
18	C29 H30 O9	523.1963	523.197	0.13005438	523.19635	23355	23267	19224	19630	22563	9105	7846	13666	20095	43534	43417	9136	23302	17089	12245	21151	14932	13096	26134	42675	47451	18691	16253	21260	10081	83754	10040	34034	12170	9671	13201	15928	7324	11669	40884	7957	15098	8616	9463	32294	37014	8714	0	0	0	21547	18553	0	15133	12958	20622	21454	14284	0	16848	17858	11440	14728	9648	12909	12226	18329	26724	15639	10474	13715	11426	18223	58695	72259	119329	13843	8875	7674	10336	13207	0	7500	21846	17177	19101	16979	11491	21588	22298	10384	25017	10762	9624	20845	16345	13342	15790	17820	19666	0	15777	19451	19359	21979	21974	12289	10745	16325	12135	13143	15294	0	13808	15459	Phytochemical	0.31034482	1.0344827	0.0
16	C29 H30 O9	523.1963	523.19696	0.06619195	523.1963	7318	0	8953	10583	3282	0	5115	5666	4783	9187	9574	6649	6605	4795	6224	5983	3583	0	5329	11965	14234	8697	4996	5926	0	24786	2455	8523	4967	0	3219	0	6749	3876	12441	0	4918	6844	6662	8755	10029	4635	0	0	0	7594	6648	0	5462	7649	5978	5901	3469	0	3536	4061	3957	5669	3545	7417	0	6413	4316	4507	2665	3303	0	5896	18019	27925	30910	3876	0	3942	0	8340	0	5669	7765	5777	5099	7728	5319	8127	7619	5611	6325	4035	1770	0	7221	6643	0	6232	8892	0	0	8242	3958	8249	6464	5076	3451	0	0	0	6390	0	4175	6053	Phytochemical	0.31034482	1.0344827	0.0
26	C29 H30 O9	523.1963	523.1969	0.061407108	523.1963	16489	14898	14221	14730	18155	9387	0	0	26411	34426	40116	5002	28689	14292	0	0	0	18034	23037	28670	34931	11978	10588	8664	0	77454	4946	26901	0	0	4647	4472	6136	3777	44892	0	8424	5618	4743	25665	33773	7598	0	0	0	14946	24220	0	3767	0	17248	13377	16236	0	22459	25334	8183	9750	5502	5093	8250	17252	28100	22726	5555	23326	16773	3368	84760	86726	109090	6798	0	0	0	5470	0	0	19557	16913	12826	12839	6621	25999	34208	14660	14314	9511	8017	8284	9294	10057	8205	18686	27064	0	16434	18290	15464	26545	34249	6493	4174	6471	6974	5281	20850	0	5317	22460	Phytochemical	0.31034482	1.0344827	0.0
28	C29 H30 O9	523.1963	523.1969	0.10764808	523.1963	6072	5273	5446	5453	8567	3899	2092	3004	7920	12209	8551	1764	13824	3787	0	2759	0	7210	7521	10969	11587	7077	4439	0	0	28807	1514	12592	0	0	1562	1442	2734	2303	16508	2356	0	2266	1860	8499	13446	0	0	0	0	4482	7551	0	1929	0	4462	5177	4676	0	6942	7741	3092	3140	2458	1710	0	5838	8466	6401	2311	9895	4047	3210	32490	30929	47285	2047	0	0	0	0	0	1690	5868	7351	4707	3656	2153	7340	11661	4774	5435	3990	3487	3004	2635	3329	4181	7560	6439	0	7282	4668	4437	13582	9989	2444	1434	3201	3629	2960	8094	0	2480	6439	Phytochemical	0.31034482	1.0344827	0.0
24	C26 H34 O11	523.2174	523.2181	0.10969578	523.21747	61494	63270	69305	70779	56438	64453	20846	51642	60462	162445	58194	23679	96766	30694	61868	63894	17404	95733	103737	141826	108187	69719	50965	64584	57948	64903	21971	56915	69955	61450	62999	67249	94641	70195	167977	56623	84948	42019	24956	80279	43220	37709	0	0	0	74311	52328	0	75845	55371	58546	66376	37322	0	98995	39331	27062	50031	58853	18860	47332	70940	86789	61553	24760	81967	41390	23451	62026	131803	80334	86285	106688	57287	20353	46549	0	63348	78765	29771	52713	54719	31637	53884	43098	29555	38056	43860	39911	33162	73525	53767	93780	42339	62203	0	77175	50759	37408	47102	32418	74078	28715	44112	41643	70131	37149	0	33874	109663	Phytochemical	0.42307693	1.3076923	0.0
22	C26 H34 O11	523.2174	523.21814	0.12283056	523.21747	171830	156101	157319	168268	133897	142709	74410	197283	186900	432472	132327	82016	208940	78923	159823	135533	64244	221475	209366	358492	294089	209473	164470	183838	170195	130817	61674	123710	173734	136751	167924	175322	171782	130743	478793	155369	200803	129026	72579	222115	87061	91935	3872	0	0	230175	110227	0	153618	151662	171673	172007	126197	508	262672	120475	86356	146025	187938	49887	156478	141136	229057	185000	69702	150572	107572	62027	110800	325918	167526	171090	130581	161790	69746	135432	278	137589	139515	65203	135371	130921	104638	121370	130867	98289	120169	62697	107463	71392	174682	205810	211477	93111	169037	0	163242	164610	106049	100512	91837	142753	110602	179494	130522	142603	102144	0	106186	247665	Phytochemical	0.42307693	1.3076923	0.0
14	C26 H34 O11	523.2174	523.2182	0.097751275	523.21747	72863	76703	72780	73641	30422	30729	58428	101295	43872	116501	69483	54765	43520	18115	65452	84695	81114	41767	46426	203272	189176	76865	63301	92704	48313	59944	59632	50966	66370	81982	68833	84534	68105	53334	192572	72377	68204	61648	74359	111646	75427	39213	0	0	0	127160	79630	0	76367	84927	75209	63646	37929	0	55578	32526	32032	77991	86243	76750	86974	45450	52830	45786	25847	41716	32640	80465	56698	70607	84103	58656	61105	82975	66758	73240	0	49522	79331	41368	65743	49857	62117	53435	48088	33403	78510	35454	36753	104610	54690	55279	195342	52362	54018	0	72264	70709	33605	41822	42706	74144	47142	104432	66317	59966	36053	0	58248	40771	Phytochemical	0.42307693	1.3076923	0.0
12	C26 H34 O11	523.2174	523.21826	0.17733765	523.21747	25185	25883	22422	20372	10495	7639	23003	23632	13396	29705	21920	16763	8713	4248	17695	33031	32589	8852	14731	72118	24078	20532	21821	29290	17675	16979	24710	11368	21330	26963	26540	28910	20763	17733	35151	25891	16422	19995	29939	46702	27496	11604	0	0	0	20901	20918	0	26872	28264	24114	32105	9078	0	17846	10892	10995	25204	28727	18575	29183	13799	16490	11524	5860	10993	11035	25848	16045	21264	27898	17361	25739	30072	23799	26612	0	20171	28485	0	20311	13681	22480	14983	12684	11183	21550	9741	10209	31457	13207	22026	30826	15931	22281	0	24786	26544	14617	13107	13317	30226	12770	29749	0	18801	13624	0	20469	11378	Phytochemical	0.42307693	1.3076923	0.0
26	C26 H34 O11	523.2174	523.2182	0.19557513	523.21747	16787	17867	15914	15171	13400	12741	4117	13673	17640	38125	10644	8064	30431	9284	11142	9610	0	26755	20673	35421	33557	17867	12956	18574	12378	14019	2755	13320	11107	11909	11158	11599	17135	11096	47973	10382	22662	10364	7898	20860	7667	0	0	0	0	19012	12200	0	10946	9148	17065	17804	10407	0	21947	18225	6770	13674	11737	4647	9840	14428	24468	15270	6768	13904	10770	9908	16954	39265	21982	14269	10798	12711	7467	9368	0	9009	15016	0	11550	12315	9984	11637	16161	13138	12565	7453	7210	8258	10314	14744	16579	10029	17270	0	17150	19208	12890	7782	8260	12219	6443	12415	14508	13733	8727	0	10519	27687	Phytochemical	0.42307693	1.3076923	0.0
20	C26 H34 O11	523.2174	523.21814	0.12054662	523.21747	317208	304443	302905	269728	216802	199223	164789	340681	299239	752201	244310	152328	349128	145986	314429	253733	124689	325486	384875	627030	496385	356853	256155	300870	284735	238746	140475	232300	334712	260166	282804	285294	327824	250425	887209	277016	351089	217935	145333	410068	187233	164567	6109	901	328	374155	208255	789	294011	256159	301046	308490	201076	914	407374	206102	142423	284876	339868	105207	261327	241436	379086	290110	121283	242430	199603	145133	221854	545119	267634	304672	284455	304258	161041	250229	0	226496	254711	127350	231639	181886	217079	261568	204544	170734	211640	129201	181354	149327	316628	342381	378407	169800	261589	1596	301331	319664	215404	164198	166682	264837	182927	303463	222289	250859	187065	0	188132	363722	Phytochemical	0.42307693	1.3076923	0.0
18	C25 H34 O10 N2	523.22864	523.2294	0.106966734	523.2287	24858	26616	21377	17000	11968	16298	13878	28769	13465	27160	10773	8078	12611	7609	30841	21064	12409	20476	19617	29207	17649	29687	19867	0	36141	6949	16801	12744	27533	25144	26730	27807	35316	27361	34010	36650	44134	20225	12953	0	5326	13992	513	0	0	24201	12214	0	31469	23898	23876	23832	11866	0	19966	6331	12104	36889	40104	9665	20891	14791	14255	12831	9276	18848	16576	9968	2432	13888	6594	29531	31398	28491	16376	27706	0	18913	16696	11153	17866	14113	25799	14508	6460	13657	14819	14889	14974	15666	38398	48946	67260	9662	24146	0	18262	26683	7065	7065	3334	28477	16350	33901	13708	29718	6520	0	21217	15851	Lipid	0.4	1.36	0.08
8	C25 H34 O10 N2	523.22864	523.2296	0.18885481	523.2287	11051	10152	9341	8084	4672	4190	5019	11867	3992	11805	5632	6677	7801	1701	8107	12362	6432	5555	10189	15619	9692	18381	8229	12180	8394	1769	5253	6216	11067	11112	9253	13457	11442	10454	22453	12440	15545	6541	8006	15301	9089	4022	0	0	0	14473	7006	0	11215	8351	10163	10440	5025	0	8784	3979	2726	14523	7205	2812	11058	5459	5199	7642	0	7490	5196	7788	3215	6173	1734	9612	8847	8661	5775	13476	0	6921	8724	7916	8019	5341	8412	4368	2982	3727	9921	5321	6063	13314	13248	17694	20890	7511	16160	0	13197	8766	1507	3872	3016	11801	4447	15318	0	9393	2757	0	6828	6302	Lipid	0.4	1.36	0.08
20	C25 H34 O10 N2	523.22864	523.2295	0.2516264	523.22876	10372	8815	12707	7629	3929	5796	8866	15725	0	10358	4785	6676	9473	4931	12544	11967	7680	9862	5992	0	9151	16843	0	14373	17018	0	5851	5622	14194	10371	14120	17458	17865	16427	16538	16183	16730	10405	5753	12702	5356	8271	0	0	0	9020	5123	0	12555	10789	6505	9088	5956	0	12739	4872	3757	14587	19742	4048	10474	7102	6020	8557	3833	5545	6720	6479	0	7308	0	15300	9856	12012	5947	13209	0	9559	8230	3292	7038	6330	10579	0	5194	5652	9725	5972	7653	10731	29423	20351	32251	3967	7886	0	11524	10697	3110	4911	4092	14886	5851	15671	7999	15216	2485	0	11776	11157	Lipid	0.4	1.36	0.08
14	C25 H34 O10 N2	523.22864	523.2294	0.12315539	523.2287	26886	21470	22421	22815	8567	10493	22452	38716	11806	30714	12424	12192	11268	4543	20788	31005	24881	13258	19586	28764	24806	39722	19389	32436	31042	7147	21962	13799	32335	25070	20676	24025	38824	23576	38871	35802	36947	19544	22543	27718	10864	13270	0	0	0	28122	17165	0	27703	26173	31432	20543	13002	0	15986	6105	9428	31704	34793	13269	30318	22677	13028	12155	7777	13024	19130	20950	0	9793	6234	25467	19505	31869	21736	19891	0	20223	18815	0	15430	11742	20749	13285	7095	8322	24037	16317	18400	27582	37103	37128	54372	21778	26228	0	22788	24012	9865	7433	9119	24807	14852	37035	18220	27500	8384	0	21205	13967	Lipid	0.4	1.36	0.08
16	C25 H34 O10 N2	523.22864	523.2294	0.09524778	523.2287	29846	30213	32941	33248	9380	12601	22266	35781	15657	36565	13078	16399	18294	5841	28573	32377	13583	16247	23091	38214	25678	33587	22681	46254	36867	7292	15395	16101	32535	29084	36664	39575	38112	31740	51501	39214	50167	21004	20813	36786	17717	15817	257	0	0	29546	10925	0	39014	33792	31863	28093	14019	0	25075	6577	13653	40102	40112	13374	31131	22086	10844	14560	10852	12151	16970	14735	5627	18900	5283	39100	32131	37261	13933	26504	0	24864	20668	11880	14596	15490	31196	19814	5355	13423	24524	18401	17544	27949	49015	54383	85073	17515	24323	0	28602	31196	8710	7790	8140	44231	18049	38095	15242	32159	8845	0	25229	20599	Lipid	0.4	1.36	0.08
10	C25 H34 O10 N2	523.22864	523.22955	0.18761632	523.2287	16055	13738	11793	12626	8331	7828	13153	20848	7396	22288	5990	8713	10286	4149	12511	13732	10124	8740	14291	20634	12393	28437	12404	21682	14809	3109	7677	4340	16196	16693	16860	17398	20097	14534	27853	19587	20150	12610	13287	20466	7990	5210	0	0	0	21519	11252	0	15527	17840	16291	13097	6890	0	9566	4318	5164	20516	11685	8219	12738	12105	7160	6954	4867	6985	9529	13930	0	8482	4564	12972	16404	15873	10433	9450	0	11401	10208	9153	9024	8967	12645	9385	3814	5330	11351	5589	9149	18501	0	21324	36279	12861	19260	0	16196	12240	3262	4287	3193	22321	10321	18593	0	12735	2889	0	11222	9290	Lipid	0.4	1.36	0.08
22	C30 H34 O8	523.23267	523.23334	0.08270495	523.23267	78571	82709	69683	78205	81696	45215	40965	61090	79801	112585	131135	45366	73925	52100	57075	72238	53767	60309	75051	144899	152459	73314	61279	71796	57057	280649	38562	123456	64169	51259	47825	60029	58006	52924	142686	50170	56253	45498	51696	112113	125267	50317	0	0	0	66115	73165	0	56740	52154	79122	82594	56617	314	83407	72258	47416	66258	50007	51578	70501	85580	74881	61528	36672	81135	54561	66391	220392	289777	300771	43804	41464	42035	37262	50224	0	44291	100906	56435	73255	55429	50182	96206	88456	57160	113372	48574	51693	89872	65290	79633	84831	62840	78457	0	65589	65183	69936	90286	83844	69868	46499	78797	49682	61978	73837	0	62243	62785	Phytochemical	0.26666668	1.1333333	0.0
18	C30 H34 O8	523.23267	523.2334	0.071849555	523.23267	14081	25482	18010	17524	14032	7132	14955	20785	12683	11896	17357	14731	8437	8148	12064	28530	25205	8677	13211	24480	23364	14688	20263	21083	19334	44268	19177	16585	13439	10776	15965	21018	23612	8603	21435	12692	15320	14409	25182	20474	26291	9659	0	0	0	12490	21403	0	20068	18333	25143	20122	9190	0	12014	14453	10938	16371	10473	16159	16667	12999	12506	12720	11080	13113	15041	34021	34908	39611	65444	10601	9807	13599	19969	14894	0	11600	29442	12356	25458	14764	15486	23745	14474	8555	36185	11257	11817	40536	12213	16700	21678	10654	17826	0	21282	13579	10732	16089	21704	19353	9036	17878	7380	21303	13746	0	20391	8885	Phytochemical	0.26666668	1.1333333	0.0
24	C30 H34 O8	523.23267	523.23334	0.056441877	523.23267	77149	73924	77767	74075	72468	44684	29772	52832	79202	114939	133232	32426	95249	46598	45788	68651	39975	60832	89919	166363	145584	67787	56704	63799	46302	312129	27984	132576	44584	46712	46143	41938	54521	42153	147569	41064	57857	39256	42018	125619	120432	37279	0	0	0	74270	74987	0	47053	42972	79252	84873	62866	0	84836	74576	41296	61637	47001	36787	69574	78046	82189	68838	34266	80702	62401	46880	257238	282461	327677	45879	36786	36461	31185	40544	0	36262	90868	53903	65724	55655	40313	94762	103293	55361	88254	40853	47826	71360	54069	58694	82186	63868	71520	0	70027	81572	65923	97095	95186	58528	34135	64150	44341	58490	67277	0	52024	70142	Phytochemical	0.26666668	1.1333333	0.0
28	C30 H34 O8	523.23267	523.23334	0.02784534	523.23267	7936	7702	7458	9938	9133	3292	3063	5232	10824	10864	12898	3233	15711	9360	3384	5335	5230	7871	11008	12376	13217	8263	5675	6126	4372	41053	3520	15808	5163	5060	4860	3237	6155	5014	17455	4112	5457	2398	5282	9848	15925	4885	0	0	0	6647	9761	0	5400	5628	8976	7010	8732	0	11427	13160	4136	5308	2955	3631	7126	6962	12642	7925	2956	16144	6840	4569	40573	30217	46332	3816	2427	0	0	2808	0	3551	10258	8386	7366	5424	3534	12285	13861	6308	10600	5114	4077	5891	4423	5213	5363	7388	6320	0	7267	7161	7127	19975	22942	7600	3137	8658	2706	6830	9793	0	4571	8230	Phytochemical	0.26666668	1.1333333	0.0
26	C30 H34 O8	523.23267	523.2334	0.06938385	523.23267	34882	33650	32341	33041	38897	23027	9028	27865	42306	54353	61901	14743	57950	35050	17835	36518	19418	35305	53827	62513	66625	28242	31596	31260	26610	161564	7635	65448	19930	18180	19615	15599	25648	18797	63183	22446	32628	23259	16482	58877	59222	23430	0	0	0	30392	36201	0	23675	23003	33883	31497	33225	0	50754	51663	20632	29443	22301	17144	29413	34936	42181	31482	19640	38271	37621	24786	150872	125250	158457	25936	16276	12817	15237	18666	0	17787	46541	30054	35061	26654	17594	44579	63818	30593	43229	25772	30135	25109	20700	27411	38989	30610	31388	0	37461	38419	30728	62863	64929	26569	15076	26379	18493	24065	38895	0	23567	35253	Phytochemical	0.26666668	1.1333333	0.0
20	C30 H34 O8	523.23267	523.23334	0.05588763	523.23267	59594	62680	47796	47210	41169	21882	32589	42321	43912	60854	53480	28036	37028	33477	36200	52267	43083	38420	49326	82648	75226	49808	33351	56481	31489	138236	30975	51946	32365	29233	25372	33731	37805	28445	72941	35706	42918	34797	53534	59281	74747	26068	658	0	0	37634	44138	0	44237	35428	52868	46856	34804	0	38107	40090	25412	40487	28316	40347	37583	40713	45922	34002	24381	32228	36077	47755	104710	135599	178989	26090	24528	33677	35840	33808	0	28335	81380	40796	45315	32307	35016	67307	51935	24852	80544	26721	27738	72403	50195	40616	62872	36556	33545	0	51420	47899	37962	45503	47132	44508	26695	47480	33832	40553	40419	0	47259	40881	Phytochemical	0.26666668	1.1333333	0.0
10	C24 H34 O9 N4	523.23987	523.2408	0.20898978	523.24	13216	12683	12856	12226	0	5017	7389	6600	1396	3894	4831	4391	2515	3134	4658	5739	18094	4983	3190	0	0	6316	3868	7028	5750	0	4729	34741	5188	6124	4077	8318	22747	7612	1402	9119	19251	1657	22813	0	0	1512	0	0	0	0	0	0	10123	4157	14412	12489	2759	0	1743	2323	1392	7198	0	0	0	0	1426	1883	1356	3497	2176	19076	0	0	0	4653	7536	8516	7367	5808	0	3753	4889	124897	2448	789	2308	0	1526	1849	1889	4404	4075	9071	817380	218308	7439	27086	13217	0	7774	10760	0	3618	2207	19860	2621	0	0	8217	957	0	5077	2067	Peptide	0.375	1.4166666	0.16666667
14	C24 H34 O9 N4	523.23987	523.2409	0.17695673	523.2399	4082	5075	6296	4298	0	0	0	0	0	0	3342	0	0	0	2113	0	0	0	0	0	0	0	1523	0	2087	0	0	18110	1900	0	0	0	0	0	0	0	0	1945	0	0	0	0	0	0	0	0	0	0	0	0	6233	0	0	0	0	0	0	0	0	0	0	0	0	0	1207	0	0	1847	0	0	0	0	2411	4553	1482	0	0	1102	0	89849	0	0	0	0	0	0	0	0	0	0	570806	108953	2680	14192	7895	0	3908	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.4166666	0.16666667
8	C24 H34 O9 N4	523.23987	523.2408	0.24766459	523.24	6733	5898	6182	5983	677	3776	2861	2864	1022	3105	1992	2179	1499	0	2343	3776	2140	1655	1878	1503	1668	4165	1491	4269	3823	0	1727	17465	5223	2731	3187	4074	6627	3075	2016	4269	6868	2732	7230	0	0	1120	0	0	0	0	0	0	5715	2373	5983	5549	1275	0	0	0	596	5520	1554	1060	0	0	0	1645	0	1097	2241	4617	0	0	0	2276	3471	2669	2573	1380	0	2617	1589	67915	1866	1069	1434	1021	0	0	2587	2221	1943	4624	277224	100018	8096	11985	7412	0	7011	6714	0	0	0	7403	1864	7097	0	3679	0	0	2364	944	Peptide	0.375	1.4166666	0.16666667
12	C24 H34 O9 N4	523.23987	523.24066	0.25764465	523.24	5651	8737	8708	6217	1014	3483	0	1715	1389	0	5247	0	0	752	1479	1944	0	0	1421	0	0	0	1826	0	3221	0	0	30283	1403	1343	1710	1973	3011	2337	0	2264	3777	2927	3015	0	0	0	0	0	0	0	0	0	0	0	4154	5172	0	0	1498	0	0	3633	0	0	0	0	2077	0	0	0	0	0	0	0	0	0	0	3064	0	0	0	2110	1530	140721	1773	0	1522	0	0	1598	0	1028	0	4661	673698	243253	2137	27361	7536	0	5376	9068	0	0	0	0	2273	0	0	2244	0	0	1502	1533	Peptide	0.375	1.4166666	0.16666667
26	C27 H38 O10	523.2538	523.2545	0.087032035	523.25385	26702	24601	28342	25072	28162	18262	9317	33781	34860	55601	16544	13909	43555	11807	30297	36196	11710	37816	49357	50570	46839	31269	20824	35501	24752	21153	13416	19907	35269	25409	32379	22699	33794	27661	70880	32020	51913	19976	16823	38606	13670	20116	0	0	0	25176	12254	0	34571	25858	23549	30011	22844	0	44240	26088	16395	32063	25330	9763	30538	16470	45009	34127	10380	28704	20267	18032	27805	62122	42153	30652	25119	28504	25529	26432	0	18200	32616	6246	20139	16033	21981	18415	23510	14669	18335	13764	15762	11507	26686	34921	45657	10445	23152	0	28627	26436	16309	25528	24360	29306	13841	32351	12135	20605	15791	0	12384	39573	Lipid	0.37037036	1.4074074	0.0
20	C27 H38 O10	523.2538	523.25446	0.046865754	523.2538	208280	191278	192961	185260	145738	125695	139905	232239	175494	302482	157433	121857	196484	98338	199234	207874	133408	188195	228994	300820	260958	185168	175881	211666	170451	186925	127678	156994	225796	199138	187047	209329	248532	161000	329096	203985	247048	168583	144659	171150	115558	122657	3329	0	0	157651	110376	0	202245	174584	189739	188141	134666	702	243648	149161	103077	216536	194589	96320	209102	121605	206811	184124	95706	166028	128935	151806	126117	261978	200488	185628	179617	207993	154442	176342	0	166590	209596	89607	155250	92091	185514	162733	172456	124265	193848	104180	133342	139193	215405	240088	249728	113580	138285	1011	194407	197686	122253	150179	149279	238382	144015	218025	109767	187145	123585	0	144625	212965	Lipid	0.37037036	1.4074074	0.0
16	C27 H38 O10	523.2538	523.2546	0.06769435	523.2538	57384	45636	42814	48054	25075	24043	44360	54673	31676	34102	33268	33718	31119	9772	41577	66465	68475	23490	33974	50781	46965	35814	48983	63324	41799	29819	40424	24865	47561	59909	52330	62302	60281	32691	47646	64434	53374	46658	77118	29688	33906	25071	488	0	0	31466	33280	0	62703	47154	49550	41958	23118	0	45877	33377	25025	60018	38673	36956	63853	16438	40396	25665	19080	26288	28249	76702	26740	33533	36182	36517	44562	65612	61193	56638	0	41184	67298	27442	45769	24362	44414	26158	38841	27455	68529	18320	33444	83412	45599	39893	57126	28034	28476	0	49694	50388	27005	34729	47063	62196	35210	50577	22664	42459	33899	0	45108	34695	Lipid	0.37037036	1.4074074	0.0
14	C27 H38 O10	523.2538	523.2546	0.106232546	523.25385	14902	20650	15319	19602	4918	5020	23502	27330	12267	7612	13258	14588	4449	5526	19621	23008	35941	5604	7360	11557	15476	11476	13978	17932	15225	10412	27626	0	21562	27259	17453	20936	22532	15671	10373	24567	15175	14473	34023	8587	12324	8697	0	0	0	14733	8371	0	18617	19992	20205	16770	7132	0	8758	8265	8251	24155	14076	11215	0	4612	5722	8887	7121	9772	9972	36857	0	11383	9407	9675	12393	25753	34103	21359	0	11864	26723	0	19776	7039	13735	8141	13723	10265	23240	5267	12721	34618	12533	15127	22296	7854	7251	0	18941	21500	6135	13836	13871	18543	13145	19249	0	14519	9903	0	19339	3082	Lipid	0.37037036	1.4074074	0.0
28	C31 H38 O7	523.26904	523.2697	0.021496033	523.26904	12490	12286	9296	10680	11605	4810	9898	14756	13476	9589	14279	5323	14037	8694	8317	11978	10487	7123	15809	12739	15767	11123	9049	12827	13979	44904	8744	15986	11642	9771	9083	9703	13920	6887	14520	14916	13239	7707	8664	10365	14029	5406	0	0	0	10255	5617	0	11423	14273	11422	10172	12504	0	16669	17216	6463	12746	11283	5661	13789	7743	12892	10334	5145	16205	11024	9150	34747	24686	39834	6532	4624	10970	4329	10858	0	9566	18648	12881	8420	7451	9855	15812	18664	7202	20757	5572	7672	12086	11236	14868	15246	15935	6557	0	11708	11654	9371	27772	26923	14778	6692	11966	6056	9462	11190	0	9673	9526	Phytochemical	0.22580644	1.2258065	0.0
26	C31 H38 O7	523.26904	523.2698	0.041671585	523.26904	52364	55839	55729	59615	49018	32640	33816	76878	53388	55392	94812	37334	57622	40706	49076	59330	47596	45643	74209	102999	88513	56774	46891	78164	72163	176168	33296	92584	58057	58980	56201	45128	70744	42496	77128	60662	70856	40716	40785	77125	78001	54623	0	0	0	48717	38169	0	59514	68644	60313	56616	44954	0	65444	71661	31810	56751	49725	34308	67938	54404	52592	48409	27010	47471	59736	56720	178248	136632	171282	44659	39722	46266	30546	46668	0	41498	70784	49307	51424	37164	43823	71975	70046	48547	73096	34097	42664	53115	50945	60457	92824	49607	50167	0	52347	62616	42285	75942	83964	80127	32615	73243	27668	51813	51835	0	54711	45395	Phytochemical	0.22580644	1.2258065	0.0
24	C31 H38 O7	523.26904	523.2697	0.030501325	523.26904	81440	93141	74701	79240	70088	39536	46243	86827	63840	79715	113651	52893	68831	52088	66090	101122	89136	54264	90085	116332	117758	76046	68567	82482	76372	215530	53152	107853	71297	74807	69535	78401	87720	56225	112591	80789	91158	54579	99208	103094	111893	49789	0	0	0	61371	70335	0	76775	69433	80905	77348	61220	0	73268	77885	48852	88108	65106	53124	96096	78262	62434	60959	45946	62056	64974	100391	195122	187673	233725	54537	55834	65695	55529	64232	0	51522	99543	63416	80745	51899	64555	89193	87498	59436	123663	48074	62380	118657	81672	80773	116828	68305	78068	0	81657	82386	52520	81258	92960	98591	48100	99405	41165	83869	75721	0	76546	61070	Phytochemical	0.22580644	1.2258065	0.0
20	C31 H38 O7	523.26904	523.2698	0.047716316	523.26904	23292	20711	20118	15775	11844	5809	17401	23849	12881	15549	15287	18119	9545	10184	24771	33886	38369	9394	16903	17786	19518	17356	15667	19511	23128	34223	23738	16374	19697	24281	19974	21451	23254	14764	18203	23121	19319	23685	46207	15243	32053	10677	0	0	0	10052	12992	0	16855	20802	25911	22006	16457	0	19232	17027	14948	24920	14995	21806	24242	12974	9217	10957	13670	8969	13071	42657	29572	35601	43911	13220	17007	17784	32499	16729	0	17768	37769	19071	24599	11820	18424	17454	18552	18412	37565	12593	12290	37739	27029	19383	31498	11301	16722	0	18433	23720	9945	18441	14523	24899	18260	33780	11416	18898	12170	0	32173	6817	Phytochemical	0.22580644	1.2258065	0.0
12	C25 H38 O8 N4	523.27625	523.27686	0.15668957	523.2763	6841	8436	5200	5372	0	2608	0	0	0	0	2304	0	0	1066	0	0	0	0	0	0	0	0	0	0	0	0	0	63348	0	0	0	0	2643	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6686	4988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1631	0	0	0	0	185711	0	0	0	0	0	0	0	0	0	0	611915	313373	0	24328	2603	0	5632	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.32	1.52	0.16
8	C25 H38 O8 N4	523.27625	523.2771	0.25918615	523.27637	3254	2670	2533	3793	0	3719	0	0	0	907	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20028	0	0	1630	0	1250	0	0	0	1535	0	0	0	0	0	0	0	0	0	0	0	0	0	3171	2791	0	0	0	0	0	1135	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	798	0	0	0	0	0	108449	0	0	0	0	0	0	0	0	0	2145	327734	130735	0	11967	2322	0	2512	3058	0	0	0	0	0	0	0	1158	0	0	0	0	Peptide	0.32	1.52	0.16
10	C25 H38 O8 N4	523.27625	523.2769	0.1964958	523.27637	6756	7844	7310	7857	0	5578	0	1017	0	0	7191	0	0	0	0	0	0	0	0	0	0	0	0	0	1429	0	0	85059	0	0	1111	0	1331	0	0	936	1587	0	0	0	0	954	0	0	0	0	0	0	0	0	10622	7914	0	0	0	0	0	0	0	0	0	0	0	0	753	0	0	0	0	0	0	0	0	0	0	0	0	762	0	201562	0	0	0	0	0	0	0	0	0	0	1022445	431919	0	32086	7727	0	9534	6247	0	0	0	1105	0	0	0	0	0	0	0	0	Peptide	0.32	1.52	0.16
14	C28 H39 O6 N2 Na1	523.27783	523.2786	0.59251666	523.2782	0	0	0	0	0	0	0	0	0	0	0	0	0	13562	0	0	0	0	0	0	0	0	0	0	0	1491	3228	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	180150	0	0	1331	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1928	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21428572	1.3928572	0.071428575
20	C28 H42 O9	523.29016	523.29083	0.002685899	523.29016	38634	46910	46076	34967	24381	18088	41848	35519	32067	30541	21284	27998	28851	20253	44997	50218	48320	26029	42528	34951	20394	15744	27599	42927	32433	22407	39648	25689	51801	43771	38618	49176	55479	33521	26928	53656	43637	32903	53351	12971	16680	22968	1070	0	0	21818	13372	0	48423	36702	32334	38203	31113	0	54981	38574	29234	50040	24947	28825	38128	10280	32237	38016	24988	32138	32224	52692	16897	23192	27641	23575	36071	44005	51957	39179	0	26200	49367	16356	32298	12954	42514	21577	46934	29299	55575	20482	29672	49016	42532	40321	40682	15222	19974	0	34461	39147	23140	48375	55070	59745	27892	39951	14459	35014	36361	0	37491	30913	Lipid	0.32142857	1.5	0.0
26	C28 H42 O9	523.29016	523.2909	0.04709642	523.29016	42184	37798	41725	42723	41966	27980	34813	63194	51437	48243	24541	21305	52929	33114	45184	44374	18088	52103	94505	66064	52928	46929	32997	39499	58816	30442	27472	37578	61244	51897	50506	46501	66375	44997	78354	60586	80633	34885	23481	49004	14693	26492	0	0	0	41474	14170	0	55910	38010	48874	41691	36492	0	79600	48882	21959	57264	50589	14499	47397	28039	63338	49175	18212	48339	40583	25379	18316	66515	24014	38051	42737	55892	25428	39375	0	34067	38973	19442	30608	19903	50232	29590	46614	35523	45642	20060	37965	22579	68294	76657	65849	20249	36408	0	43487	43963	23822	36911	46602	58226	20084	64636	26259	31818	27695	0	35041	52653	Lipid	0.32142857	1.5	0.0
16	C23 H47 O9 S1 Na1	523.29114	523.2919	0.6078947	523.29144	9958	5282	5736	4404	2756	0	11630	6852	0	5028	4534	4744	0	1894	5018	11056	17886	4848	0	3702	0	0	3146	5784	7686	3468	10912	13680	11468	12388	7630	14452	10492	4644	0	11444	6506	7688	18462	0	0	3628	0	0	0	0	0	0	13318	8070	9126	6776	4958	0	6604	7590	0	14244	3490	3170	0	0	7804	0	4294	0	0	19274	0	0	0	3292	3602	14566	19080	7494	0	5408	15782	81620	6542	3454	5618	3904	8786	4444	15428	0	3564	0	93071	8082	0	0	0	0	6982	5064	3204	13442	11402	8974	0	7552	0	0	6982	0	4424	0	Organosulfur	0.39130434	2.0434783	0.0
26	C32 H42 O6	523.3054	523.30615	0.024016468	523.3054	39916	34962	38164	38049	22300	17667	28649	44790	30014	20837	50104	29411	26119	28538	41230	57305	72541	22897	45256	41504	36873	33099	28770	36382	48842	91069	43063	51584	62268	55999	43637	52879	55063	35258	23322	59273	51324	33879	70710	39728	41380	34452	0	0	0	28115	20791	0	39028	41333	40402	38714	28275	0	42434	49928	26124	48147	30858	26643	45608	24625	24607	29694	19116	24919	28960	84304	73802	58084	68426	22238	52901	57248	42984	48002	0	26751	50494	29610	36319	24657	35888	42116	46797	35570	49201	21099	29145	64426	37374	30521	51187	22696	24771	0	36019	37878	20380	65634	70982	76328	31846	50522	17438	42537	32396	0	42838	15386	Phytochemical	0.1875	1.3125	0.0
22	C32 H42 O6	523.3054	523.3061	0.007027642	523.3054	13500	12309	9809	11840	1833	2337	14360	10170	6953	4583	6109	11692	3065	6844	12733	20934	38254	0	7642	7260	4462	8653	8386	9444	15114	10143	25440	4867	13902	12169	9723	12256	14353	5043	9296	14091	8554	13852	37633	3963	10368	7043	0	0	0	1927	4583	0	9236	14855	11799	6333	8511	0	8409	13805	7711	16622	7310	15150	7609	4013	2510	6523	9059	2995	4818	47709	8488	4719	15052	4285	11692	13090	23061	14586	0	7520	18394	8276	14002	3989	15177	7836	11750	7427	20700	5290	5556	24179	7513	8560	11306	5335	6236	0	5651	13419	6357	19484	17115	21409	8482	12459	3581	12292	11271	0	16555	4204	Phytochemical	0.1875	1.3125	0.0
24	C32 H42 O6	523.3054	523.3061	0.037248272	523.3054	34713	33896	30676	31016	19106	11367	34263	31789	25498	18519	31227	26048	20847	19232	31096	44779	78153	10952	30820	26165	23752	20860	26097	29371	30448	57160	48980	29353	35997	37227	27758	36998	42754	20244	20553	42376	37217	32668	84101	27442	38877	17740	0	0	0	15379	20855	0	33522	31310	35781	28225	19520	0	27375	33343	20149	46089	21570	29424	38374	16938	16263	22128	16722	17710	27338	91505	40812	32681	53228	17132	33848	31027	41103	35657	0	23853	46368	23498	30860	13092	25199	24995	30674	23784	49237	16134	25140	68460	26459	28573	37490	17998	18023	0	27631	33427	20852	44427	43786	54479	22041	38274	11095	36838	26990	0	38620	14866	Phytochemical	0.1875	1.3125	0.0
20	C32 H42 O6	523.3054	523.3062	0.053608753	523.3054	8916	10564	3808	0	0	0	27220	7036	0	0	0	13764	0	0	8844	23338	45012	0	0	0	0	6072	0	0	8972	0	31084	0	26204	11002	8928	7444	8820	4872	0	12230	0	22088	43328	0	0	7128	4380	0	0	6624	0	0	0	10588	8836	8036	4332	0	13640	9752	0	17090	3484	10656	0	0	0	7024	6556	0	0	67308	8740	0	0	2530	15592	11592	37868	15004	0	7808	27060	8816	6624	0	7052	0	7336	10232	26156	3344	0	41778	8848	0	8468	0	0	0	11916	9380	6088	15812	5652	9192	5696	9503	7264	0	9332	0	19560	0	Phytochemical	0.1875	1.3125	0.0
28	C32 H42 O6	523.3054	523.3061	0.031291455	523.3054	17932	15813	15649	15706	8573	4362	15241	14265	10055	4905	17966	7018	10188	9850	12549	15779	41354	7817	10019	10983	7968	9166	10703	12343	14991	27856	36805	18432	24728	18940	15570	14570	38945	12739	9447	23570	19738	13812	59023	13467	10088	18164	0	0	0	7217	3863	0	14084	12569	15802	14635	8863	0	12279	20589	7719	20244	7823	7157	16423	7065	8705	9270	6055	15073	12826	97166	22978	17049	21123	6948	64453	16221	11216	13313	0	8088	23048	11141	11059	8237	11750	13672	17316	9374	24237	5895	8142	25190	10673	10448	18603	10368	6527	0	15379	12626	9700	38459	31189	57037	9388	16618	7443	15266	13848	0	14675	5980	Phytochemical	0.1875	1.3125	0.0
22	C29 H46 O8	523.32654	523.32715	0.008927214	523.32654	4648	6373	6639	4664	8570	1733	25792	8498	3739	0	3356	6166	4176	4938	4165	11584	10129	4601	11063	2432	0	2501	6063	6378	7552	0	17317	3783	9849	6119	7587	10053	14441	7555	3055	8195	12183	4866	21637	0	0	3189	0	0	0	1623	1580	0	7615	6902	5824	6694	2676	0	7896	7332	5957	9884	2986	4975	7568	0	3526	5286	3696	6926	5461	15338	0	0	0	5642	6625	7267	11054	6200	0	4864	6459	4610	4867	1346	13121	3145	12485	7493	12590	2097	4511	12482	5705	8057	5780	1853	2321	0	5664	3447	5793	11908	16403	17259	5303	4507	1883	4452	8584	0	9851	5369	Lipid	0.27586207	1.5862069	0.0
24	C29 H46 O8	523.32654	523.3272	0.004691924	523.32654	15819	20307	19554	15238	15901	7130	59400	17259	16935	5844	9276	14937	14305	12502	16432	24003	29485	14441	28028	10463	9139	6326	14579	18220	16601	4530	50975	12050	24369	20998	17247	23393	32459	16588	5450	28726	27843	15534	29476	5842	6932	8587	0	0	0	8138	4384	0	25737	18163	22543	17535	15845	0	31883	15806	9397	27629	15777	10781	26674	4945	19165	17371	13001	18494	20694	25865	2117	3894	4908	12759	16486	24037	22759	23106	0	13645	14613	10781	11965	6307	36294	18552	22410	19341	21826	8496	16975	26487	24910	27446	20408	4174	7339	0	19099	20758	13852	26210	26429	33998	11912	21397	10923	16292	17243	0	15226	16752	Lipid	0.27586207	1.5862069	0.0
26	C33 H46 O5	523.3418	523.34235	-0.001585421	523.3418	9280	7155	6620	5301	0	0	55777	10082	5712	0	3594	4576	0	4479	0	13001	24680	0	0	0	0	1591	0	6051	8659	7390	59798	5838	6961	10551	6348	11059	6525	4504	2559	11687	7343	10250	25237	2654	3770	0	0	0	0	0	0	0	4335	10196	7553	8375	3129	0	10138	14999	5814	10085	6453	5062	8948	0	0	4051	3478	3061	4077	27662	0	0	6729	0	0	8748	11414	8930	0	4225	12117	6081	7317	3030	6749	2863	13877	9512	23632	0	4920	30301	6918	6438	8181	3006	0	0	5780	7119	3907	21291	19370	12433	4384	7834	0	8864	9154	0	10793	2344	Lipid	0.15151516	1.3939394	0.0
28	C33 H46 O5	523.3418	523.34247	0.08548251	523.34186	3322	4604	3575	3739	1636	1030	22728	4350	3719	0	3165	3463	2250	2604	4809	4294	8283	0	2497	0	0	1130	3856	2935	7545	6226	22361	4457	3918	8494	2923	5252	7281	2767	0	8376	3663	3257	8809	2018	1364	2534	0	0	0	2645	0	0	5026	5796	3607	3912	1937	0	3077	8813	4097	6556	4558	1453	4283	2252	1165	2191	2703	2734	3313	10721	4468	1777	2389	1970	3389	9106	4086	5526	0	4673	7785	5544	4566	2706	4843	3824	9159	4351	13243	1473	1950	11253	4030	3854	5076	3462	0	0	4061	5733	4271	18704	23349	10907	4009	4662	2215	5393	4818	0	6503	1091	Lipid	0.15151516	1.3939394	0.0
28	C29 H47 O3 N4 Na1	523.3619	523.3627	-0.038321465	523.3618	0	919	1512	1785	920	0	30999	3255	908	822	1800	1493	0	2505	0	3331	6436	0	2911	0	0	828	0	0	2373	0	21985	3964	0	2581	1715	2002	1570	1952	1243	0	1118	2063	7538	1036	1154	3459	0	0	0	0	0	0	0	0	1516	0	1881	0	0	1959	1361	3666	5198	1756	3054	1265	0	1182	2673	870	2258	6114	0	1575	828	1267	1280	0	0	2488	0	1878	1617	2438	0	1848	2691	2953	1847	2268	3176	1299	1593	3374	4659	2604	3297	946	0	0	1123	0	0	862	1982	1976	1443	2365	6922	0	1577	0	1893	0	Unclassified	0.10344828	1.6206896	0.13793103
24	C30 H50 O7	523.3629	523.36346	0.125429	523.363	3485	3773	2772	1915	0	1073	13717	1763	0	0	0	0	0	2530	1404	5532	5135	0	0	0	0	4338	2257	1038	3669	0	10014	0	0	3641	1573	2409	1801	3206	0	2789	1101	1049	4210	0	0	2446	0	0	0	0	1596	0	1410	1283	1673	0	0	0	0	0	0	5425	0	1233	4012	0	1241	0	3192	0	1300	7412	0	0	0	1835	2825	1605	2106	1887	0	0	4743	2274	4853	761	5999	2565	1479	0	6590	1368	1058	35586	3555	2305	13212	0	0	0	2432	3505	0	2632	0	2125	0	0	0	2919	0	0	7655	0	Lipid	0.23333333	1.6666666	0.0
26	C30 H50 O7	523.3629	523.3633	0.05716194	523.363	4256	0	5028	3093	0	0	64058	0	0	0	0	0	0	8753	0	0	6775	0	0	0	0	2939	0	0	0	0	52135	4074	5073	0	0	0	3332	0	0	7167	2672	2532	15926	0	2114	0	0	0	0	0	0	0	3448	0	5291	4219	0	0	0	0	0	4770	2459	2967	5010	0	0	0	8269	2340	3933	14750	0	0	0	0	0	0	0	3552	0	0	4666	0	4750	0	11040	8956	0	0	9059	0	0	29872	6430	4617	8451	0	0	0	2305	0	0	1923	5609	4801	0	0	0	4072	0	0	5243	0	Lipid	0.23333333	1.6666666	0.0
28	C21 H17 O15 N1	524.0671	524.06793	0.2550609	524.0672	3474	2316	3245	4313	9283	2412	0	0	10425	2063	0	0	21420	2617	0	0	0	9492	7459	0	3098	6709	0	0	0	0	0	0	0	0	0	0	0	0	2446	0	0	0	0	1182	3605	0	0	0	0	3693	15787	0	0	0	3245	4056	4193	0	10440	7290	0	0	0	0	0	3213	19413	8741	1633	9781	1789	0	0	0	1591	0	0	0	0	0	0	1064	1332	3427	1953	5217	0	0	12201	1770	800	0	1446	991	0	1040	0	9303	0	0	3700	2755	5886	6494	9737	0	0	0	8494	0	7020	0	0	17710	Phytochemical	0.71428573	0.8095238	0.04761905
14	C22 H21 O14 N1	524.10345	524.10443	0.24474932	524.10364	13362	11650	11639	11602	27004	11342	0	3740	27365	9374	12536	4948	50046	8983	4768	3190	4526	31400	31006	10157	33907	56723	11439	4918	2418	1533	1197	0	1623	1878	1676	0	3440	1431	26506	1926	4313	3885	2435	9793	34197	12432	0	0	0	37283	107921	0	2467	2445	13490	15638	15360	0	36378	32350	8303	4362	0	0	0	18474	65408	30692	13666	33207	9697	3636	0	0	7491	1780	1539	0	3587	1988	0	3826	6032	35072	9828	35688	0	1719	39723	13232	6552	9501	10930	4969	0	3133	6867	63929	38730	0	19276	17462	29876	32741	42405	3587	4634	5441	75467	3817	34688	0	0	36514	Phytochemical	0.6363636	0.95454544	0.045454547
24	C22 H21 O14 N1	524.10345	524.1043	0.2239055	524.1036	4233	5250	5256	4955	12752	6163	0	0	10697	8072	1711	1041	23033	3010	0	0	2701	18579	11550	5547	11172	15444	5066	1642	1463	0	0	1447	0	0	0	0	1949	0	7393	0	1502	1551	1257	4003	3492	0	0	0	0	19155	48527	0	0	0	6500	4402	5966	0	13316	10483	2215	1256	0	0	1388	7631	19488	12668	0	9928	3248	0	1701	0	3790	0	0	0	0	0	0	1561	2900	9517	2966	24613	979	1287	15653	5666	2273	2413	4286	0	0	2611	0	19582	15080	0	4623	7013	7630	8284	9587	1551	1251	0	38575	1250	11026	0	1077	24151	Phytochemical	0.6363636	0.95454544	0.045454547
12	C22 H21 O14 N1	524.10345	524.1045	0.23634064	524.1036	10136	6722	8719	6189	18148	4741	0	0	19153	10154	7104	4450	33324	2801	2305	2181	1742	19330	22290	4922	21354	28966	5312	0	0	830	0	0	0	0	0	0	3202	1441	14013	0	1318	3118	2688	6278	14059	8037	0	0	0	15418	63840	0	0	2131	6235	7367	10427	0	16214	22408	6368	3018	0	0	0	8195	45411	19996	5028	18896	5938	0	0	0	2956	0	0	0	1597	0	0	2922	4646	0	4398	16071	1130	0	27192	9123	3874	5804	3839	0	0	0	3827	43116	16024	0	10997	9310	17430	18572	22729	4353	3937	0	39353	2110	18943	0	1387	28059	Phytochemical	0.6363636	0.95454544	0.045454547
28	C22 H21 O14 N1	524.10345	524.1042	0.16611138	524.1036	5809	6060	6309	7191	9557	5986	1043	0	9674	8587	3129	0	16331	2086	0	0	0	11334	11335	10734	11959	9427	0	0	0	0	0	1197	0	0	0	0	1570	0	13271	0	1554	0	0	5085	6185	0	0	0	0	17484	39425	0	0	0	4881	5861	6898	0	13757	11938	2397	1161	1104	1419	0	7741	15683	9611	2953	7631	3033	1056	4522	3594	3971	0	0	0	0	0	0	0	1508	8204	3501	16526	1174	1439	10794	4487	2101	1950	2409	0	1039	2203	1985	11968	11384	0	5886	6576	8991	5527	8387	0	0	0	26257	1180	7191	0	0	17254	Phytochemical	0.6363636	0.95454544	0.045454547
22	C22 H21 O14 N1	524.10345	524.1043	0.29270977	524.10364	4912	9293	5041	8356	11322	10321	1057	0	19433	13055	1283	1874	30408	8211	2664	2440	0	19130	16022	6519	13850	21388	4747	1860	0	0	1508	1776	2116	0	1234	0	0	0	6142	0	3680	3788	1358	4568	7230	4778	0	0	441	27269	66140	0	1273	0	8825	7728	11777	299	16281	19103	8319	0	2552	1479	1652	11710	21543	19061	5349	11760	4034	0	3572	2380	3926	1196	1200	0	0	1599	599	1505	2622	19784	4710	30762	0	1591	25113	13792	3381	4291	3558	1322	0	0	2377	24705	22932	0	5966	9213	13993	8753	18614	0	0	0	51846	0	16444	0	0	35898	Phytochemical	0.6363636	0.95454544	0.045454547
20	C22 H21 O14 N1	524.10345	524.1043	0.12262734	524.1035	12470	8270	10315	9971	29469	14125	2304	1552	34281	10584	8444	3258	60490	10675	6585	0	2912	40277	26364	5886	28981	25645	9645	2466	1530	2293	1635	2933	0	1568	1232	0	5259	0	6410	2253	3473	4405	2084	8878	7535	8097	1088	0	0	39406	94496	613	0	1854	8710	12280	12844	0	34060	29348	10424	0	4239	2104	3068	18199	37743	26954	10758	23894	7282	2236	7211	1540	5466	1489	0	0	0	0	272	4851	12114	35244	5632	46546	0	0	35608	16785	6513	5817	11725	0	0	3424	3972	42285	29538	0	12328	12083	27358	23295	33937	1586	2712	4684	68205	2333	26799	0	2586	45237	Phytochemical	0.6363636	0.95454544	0.045454547
16	C22 H21 O14 N1	524.10345	524.1043	0.23232877	524.1036	15571	20460	14939	18572	31976	14367	2734	2784	39348	16766	14109	6375	66176	9347	6299	2296	4558	51593	42016	19763	32600	54435	13020	6321	1595	0	1918	2742	1978	0	3239	0	4862	2294	29408	3311	5658	5345	4723	12362	23027	12271	1020	0	0	46162	104406	371	1997	3121	15254	22407	19487	0	43803	37821	10573	3041	8089	5584	0	20558	66030	35229	14772	33796	12993	4417	7605	3121	9956	2990	0	1634	2874	0	0	4465	11170	49656	8728	50607	1576	4906	54195	20609	12437	10417	14624	0	3382	7209	0	63037	42540	0	16864	20309	36595	33519	48858	6538	6336	4572	78050	0	39099	0	1812	58077	Phytochemical	0.6363636	0.95454544	0.045454547
18	C22 H21 O14 N1	524.10345	524.1044	0.21066615	524.1036	13971	14850	16089	16223	36621	14680	2578	3472	37452	13260	11982	5685	70372	11898	10021	4307	2649	49224	32185	22223	31338	42974	13901	2023	2535	1993	2535	3374	0	1523	0	0	7012	0	24442	1981	5827	5958	3573	11591	23123	10189	876	0	0	45189	104701	475	1776	2594	16751	23310	21792	0	49485	44727	14130	3106	6610	5851	4614	22454	50169	39966	11798	34124	14230	2064	6331	2827	7228	1213	1780	0	2579	0	0	2404	16366	42110	7378	54730	0	3242	52276	22169	9857	12622	9189	5587	0	6077	8594	57151	35650	0	13897	19038	33160	30717	34809	9770	5292	2697	65576	4989	35276	0	2576	51948	Phytochemical	0.6363636	0.95454544	0.045454547
26	C22 H21 O14 N1	524.10345	524.1044	0.16269484	524.1036	4079	4409	4389	6273	5964	5919	0	0	11139	7929	0	0	20355	6592	0	0	0	13392	9600	8658	10237	10951	0	0	0	0	0	0	0	0	0	0	2119	0	10402	0	0	0	0	6843	5567	0	0	0	0	15088	47136	0	0	0	4508	5180	3907	0	17515	9099	0	0	0	0	0	7964	20461	12459	0	6165	2479	0	0	2479	2604	0	0	0	0	0	0	0	3040	0	0	15077	0	0	10865	0	2162	0	0	0	0	0	0	11066	15323	0	5215	0	6054	6604	5779	0	0	0	28166	0	10370	0	0	18274	Phytochemical	0.6363636	0.95454544	0.045454547
10	C23 H25 O13 N1	524.1399	524.1408	0.2268356	524.14	22726	18331	19458	16689	17625	11972	6940	12309	24859	44231	28681	12290	36505	6397	11799	14394	11549	24244	26306	34801	57590	44991	16298	17683	5418	8860	5530	8755	9679	12459	9841	10616	10703	10048	59058	13510	12670	11083	14511	30193	45003	13233	0	0	0	44006	81190	0	14704	12520	21408	23389	15305	0	30009	22246	9677	14097	9508	13220	18263	22259	35090	26870	10639	23006	12354	14841	20673	10919	24711	12142	10807	10581	12725	9405	0	7880	13741	26633	13348	28649	7430	9601	28699	11651	15878	12954	10089	14419	6508	9251	19242	44787	48785	0	25297	23099	24821	18545	25329	18178	9658	17025	58044	13490	21418	0	8300	31207	Phytochemical	0.5652174	1.0869565	0.04347826
24	C23 H25 O13 N1	524.1399	524.1406	0.21817115	524.13995	5939	7617	7068	9159	10017	10023	0	3576	12870	18518	4206	2794	28452	3097	4662	2435	2070	17062	12424	20905	24122	17026	6693	2928	2995	3060	0	2981	0	2168	2441	1340	2015	1334	22910	2876	3952	2884	2277	14692	10900	1806	0	0	0	48179	65999	0	2107	2884	7021	7363	8516	0	18786	10505	5244	2544	3689	1507	2990	13940	24592	14868	3274	9798	5340	0	10279	10717	9526	1274	2104	1176	2307	1375	0	1104	6244	11890	4543	42433	0	4485	17785	7175	5117	2642	3512	2533	5325	4419	5491	17736	21984	0	9693	8626	9697	7479	8419	1710	4328	2975	51459	2742	14298	0	2611	23069	Phytochemical	0.5652174	1.0869565	0.04347826
28	C23 H25 O13 N1	524.1399	524.1405	0.14113861	524.13995	5612	5882	5661	4821	7410	6770	948	0	6381	15566	3725	1522	9014	3548	2640	0	0	11303	5516	17764	15391	10587	3042	2418	0	3459	928	1811	2294	0	1552	1339	2137	0	18102	0	2285	1927	1195	11221	9023	0	0	0	0	26526	38032	0	2026	0	5892	4631	5910	0	9036	5693	1423	0	2109	1688	2338	8740	7886	4444	1512	5046	3005	1736	7692	14256	12123	2357	0	0	0	1739	0	2007	2046	5125	3058	18644	1505	4456	7848	2950	2281	1204	1393	1500	1578	3061	2591	6476	15952	0	5886	5789	4068	3026	4888	1929	2185	3098	25110	2178	2703	0	1467	10396	Phytochemical	0.5652174	1.0869565	0.04347826
16	C23 H25 O13 N1	524.1399	524.1407	0.15100332	524.13995	223273	239917	187066	217731	207437	146984	88009	142454	290513	443600	228857	97385	405967	87994	140045	102854	83511	312773	305569	472675	346887	471649	183880	131437	108221	95130	85831	107770	115497	75207	131779	112734	158655	101926	664333	97286	143214	103908	96443	313881	213391	112247	1689	0	0	643574	732795	0	126429	105480	216484	197865	161188	0	346149	167979	127585	127861	139342	65757	123358	231232	376975	248529	86579	248074	140623	56525	113171	203626	160230	144752	144115	107642	72366	129706	282	124189	192652	302748	118698	523992	108655	149702	256002	132325	130238	90485	132016	31867	106914	189599	47465	327773	450320	0	216822	249466	197418	166216	205837	117619	90777	123455	539012	43288	196776	0	102043	404164	Phytochemical	0.5652174	1.0869565	0.04347826
14	C23 H25 O13 N1	524.1399	524.14075	0.14248952	524.13995	54424	54545	57781	58265	47868	44492	25254	47933	75377	119248	81918	26657	109672	23028	38474	42012	27580	90934	83342	126769	149485	168062	45694	55411	22824	27018	22026	41148	29214	32188	30072	32296	38194	27676	172799	31577	41055	33163	30154	91021	86592	38500	0	0	0	181939	253378	0	29045	32434	62043	52986	40134	0	107398	62099	32254	42540	44842	27229	57163	88741	102570	69312	28913	61556	32069	18040	41768	45404	54223	28997	29891	30126	25463	31555	0	29339	40632	111857	27597	133420	23908	39306	69871	46340	38846	28070	42494	35871	20307	38660	61853	135392	125694	0	64859	73744	53997	55379	61586	44502	23203	53596	273344	40472	59376	0	19069	89845	Phytochemical	0.5652174	1.0869565	0.04347826
20	C23 H25 O13 N1	524.1399	524.1406	0.15940204	524.13995	33700	38624	35034	27084	37789	38698	6173	21463	50853	63311	29341	11848	83780	22671	21016	11452	12009	84352	58892	71649	69841	75628	26541	20608	15190	15424	7070	13466	15506	8842	14905	10668	18519	9289	81940	9790	14804	14426	9459	56468	36920	15466	1533	0	428	152497	182464	476	13644	11856	32938	37913	30842	0	63837	46504	20461	11935	17119	8345	12729	49999	69415	46259	20107	51829	18357	7947	24044	29938	28108	16062	11230	11279	7371	7089	315	14673	22000	42837	21864	102315	9956	32995	59929	33992	16386	14876	18031	9648	15069	22925	25279	59690	83385	0	31461	37888	37817	27730	38357	19060	10263	13246	139772	18201	36144	0	15224	76934	Phytochemical	0.5652174	1.0869565	0.04347826
12	C23 H25 O13 N1	524.1399	524.14075	0.16235408	524.13995	36581	42776	31819	38579	35701	25843	18963	37103	45801	80473	54044	21410	69803	11231	23212	19741	35189	53906	52627	76551	104691	106345	34558	22998	11050	16858	15485	20731	19440	19317	18515	20975	33319	18408	122165	19555	23065	27435	21257	58898	94480	23701	687	0	0	101795	183518	0	22296	24867	45216	36833	23997	0	65942	43648	22023	24549	22878	34090	18766	58775	78330	48310	17554	50434	23995	24469	34960	26240	40884	22133	23066	19400	20957	16753	0	19045	31062	60324	26572	77806	13460	27995	45588	23500	27499	18278	21591	31650	13258	31118	34592	97755	81524	0	40657	59832	48086	34011	38451	32832	17590	25680	132581	22348	35755	0	14062	69733	Phytochemical	0.5652174	1.0869565	0.04347826
26	C23 H25 O13 N1	524.1399	524.1407	0.1333846	524.13995	4058	5663	5720	4624	8903	6663	0	0	12142	17001	4200	0	17007	2847	0	0	0	11642	6397	13092	18109	11484	5087	0	0	0	0	0	0	0	0	0	2527	0	12078	0	0	0	0	10490	10002	0	0	0	0	35669	57846	0	2491	0	8612	4774	3748	0	10607	6343	2899	0	0	0	0	10233	12505	7265	3223	7758	5572	0	6621	12231	9347	0	0	0	0	0	0	0	3616	0	0	23966	0	4911	6729	0	0	0	0	0	2940	4486	0	10107	11554	0	5619	8487	5286	5771	5914	0	2802	0	34527	0	6180	0	0	17396	Phytochemical	0.5652174	1.0869565	0.04347826
18	C23 H25 O13 N1	524.1399	524.1406	0.13505946	524.13995	83805	89984	98530	81671	92310	83642	32856	51059	105137	179240	77703	30547	212999	46723	48476	34722	21555	137793	126752	152549	170006	199517	57878	43815	38838	40867	25353	43810	43949	32737	41606	37601	51994	45364	205808	38703	45800	37813	21170	124477	85177	39280	3893	0	0	308889	314541	338	48202	38482	90172	66867	63410	0	156226	90285	40413	38435	54801	17834	50021	111525	182289	95977	40215	119494	50948	23456	54738	68887	56680	42857	35630	36323	17466	33001	326	44432	58965	113293	45091	260189	26124	53063	116528	73007	43710	31867	46628	17592	37642	63550	64104	141468	213171	0	73983	103012	94587	61829	78850	37049	28651	44780	259410	42687	81925	0	31960	156298	Phytochemical	0.5652174	1.0869565	0.04347826
22	C23 H25 O13 N1	524.1399	524.1407	0.19958618	524.13995	21874	16352	20370	13228	27529	22595	5398	7534	30534	38767	15686	4469	45030	8021	7271	7403	2770	44224	27665	37915	40549	33272	10296	11841	6928	7456	2504	10152	5553	4700	5020	4031	9489	4018	38595	5863	5069	8640	3345	32411	20179	7183	0	0	317	106140	118189	0	5442	6579	17652	15920	13313	0	30140	26781	13295	6658	6997	3229	5924	27268	38499	28534	9434	20893	11072	5743	16701	24305	14965	8972	2242	2815	3587	1769	643	6521	9310	26511	9876	80853	4245	15523	34707	17783	8321	9296	8436	5578	6004	12238	8895	30755	53305	0	16402	15037	19390	15244	15659	5741	5204	12658	99871	3883	23118	0	4583	36804	Phytochemical	0.5652174	1.0869565	0.04347826
12	C22 H25 O12 N3	524.1511	524.1519	0.09801337	524.1511	11486	9406	12027	8556	8202	3706	5103	14101	10084	5433	4812	9220	13173	3618	10639	8960	14378	16639	12419	8127	8265	19115	12609	0	6441	0	5283	0	11816	5917	11376	11738	14511	9345	16359	7614	12919	9263	14387	15971	10238	5540	265	0	0	14960	28021	0	10206	9370	9779	7265	8150	0	19169	8807	5814	13637	11974	13625	0	13575	15328	12930	4842	10853	7630	14690	0	0	4164	12219	9353	8576	10625	7346	0	11793	11001	0	10205	11576	5948	6151	9192	6277	11719	9306	8797	17462	5476	11942	18521	10384	8581	0	11227	13895	8228	6152	5669	6178	8697	7719	0	15462	6389	0	6588	26330	Peptide	0.54545456	1.1363636	0.13636364
14	C22 H25 O12 N3	524.1511	524.15186	0.0551733	524.1511	9647	9258	7626	7952	5694	7262	5842	7555	6756	0	0	7311	10394	0	10313	8740	11407	6480	7674	0	0	18026	5939	10200	6681	0	5907	0	7516	7286	6404	0	10687	6365	10398	5802	10774	8484	10122	11163	0	4194	0	0	0	10605	15372	0	6795	10215	9240	12027	4693	0	13101	5286	5201	7677	12262	8726	0	9573	9215	10173	4403	7729	7023	9972	0	0	2295	7435	6069	7434	6083	7044	0	7429	9399	0	7280	10540	4717	0	6954	0	9841	6058	6808	11530	4473	9718	20724	0	6779	0	8753	8387	0	5287	5504	10316	5662	9759	0	9453	5661	0	6751	12463	Peptide	0.54545456	1.1363636	0.13636364
22	C27 H25 O10 N1	524.15515	524.1558	0.12124086	524.1552	8962	5711	5933	12073	5499	4007	1378	0	12408	49169	27760	0	6455	0	1546	0	0	8950	6739	17798	23720	15992	2874	2689	2877	28169	1697	24998	0	1676	1084	0	3220	1161	41796	1287	3501	0	1090	23320	21072	5374	0	0	0	18427	18760	0	3315	0	7117	8277	3420	0	11735	6991	3895	1570	2589	2005	3269	16445	12943	6479	3075	2370	6427	2470	35887	36857	37728	1222	0	0	1035	0	0	0	4190	17268	3142	16370	1099	15241	6234	4909	4854	3055	2566	0	7420	6726	4476	27161	28425	0	8385	7769	9319	7653	7243	4013	1727	3935	17093	3622	6190	0	2889	9260	Phytochemical	0.37037036	0.9259259	0.037037037
24	C27 H25 O10 N1	524.15515	524.15576	-0.013896678	524.1551	5243	5499	5782	6615	4719	2124	0	0	6607	18159	13544	0	4239	3323	0	1509	0	6411	4550	14158	9881	9887	0	0	1828	10978	0	8494	0	0	0	0	1563	0	29718	0	2565	0	0	11577	16839	0	0	0	0	11656	12564	0	1391	0	3733	4474	4903	0	4304	4766	2621	1631	1336	0	1234	8134	8367	3809	1506	3336	4135	0	11369	18802	26076	843	0	0	0	1034	0	0	2710	9408	2751	9771	0	9402	6167	4847	3759	2555	2078	1930	0	3525	3263	15874	16247	0	5292	4320	3951	4185	3811	1219	1111	2376	8758	0	2785	0	948	6262	Phytochemical	0.37037036	0.9259259	0.037037037
16	C27 H25 O10 N1	524.15515	524.15594	0.1413351	524.1552	7235	3419	3206	5769	4389	1496	0	0	7139	34147	15206	0	5092	2098	0	3013	1633	0	6542	25194	22328	12460	1370	2688	2311	29712	0	14938	0	0	1309	0	2344	1580	41792	0	0	0	1701	10595	12432	1489	0	0	0	9436	11585	0	3520	0	6222	5472	2591	0	4023	2839	2105	0	0	0	0	8657	6640	5824	2533	3391	2217	1969	19393	30235	34279	0	0	0	0	0	0	0	4850	8146	3159	5387	2026	9688	4822	2101	2811	2395	2590	0	4944	4193	0	10662	21121	0	5924	5632	2352	4179	4514	0	0	0	0	0	2281	0	0	7186	Phytochemical	0.37037036	0.9259259	0.037037037
26	C24 H29 O12 N1	524.1763	524.177	0.15083607	524.17633	7623	6986	8998	6317	9077	7254	0	0	9472	29459	4389	0	17292	2473	0	0	0	12898	8811	22672	29038	11437	4876	7179	0	10326	0	3414	0	0	3589	0	3437	3298	26554	0	2241	0	0	17844	8905	0	0	0	0	26871	33729	0	3718	0	8975	8734	5985	0	11236	7981	3740	3028	3673	0	5363	10564	15799	5906	3995	10057	3041	2915	9160	19642	17391	4052	4045	0	0	2865	0	4149	4345	0	3982	18009	3858	9246	11957	0	3205	0	2664	0	5192	5568	7303	6718	12530	0	9008	11010	6616	7558	6013	5498	0	0	25098	3180	6909	0	0	17873	Phytochemical	0.5	1.2083334	0.041666668
14	C24 H29 O12 N1	524.1763	524.1771	0.11991569	524.17633	118603	114189	96749	114155	70713	63283	64519	121658	93008	263039	124980	60727	112866	44187	82083	114298	71140	116512	118335	241392	225844	207337	93031	123497	73698	99656	50668	100126	96386	98730	82425	96779	99373	82864	297145	108897	94555	68501	66740	181614	133850	57996	3620	0	0	224854	230970	0	90763	95961	106216	108285	62900	347	131742	64209	36984	110513	127772	72127	114269	139562	104314	89087	41212	86016	59539	57439	120025	126625	112449	98803	87136	102285	62924	81675	0	70602	75292	112546	67693	124209	72329	101370	75707	58686	62923	54629	66087	75794	81412	101714	130682	127271	166698	0	110552	126987	66811	51027	61748	97943	61114	147831	215854	83056	67722	0	62383	110687	Phytochemical	0.5	1.2083334	0.041666668
20	C24 H29 O12 N1	524.1763	524.177	0.095532976	524.17633	796050	661655	773910	638088	614303	576359	318204	464729	789413	1940600	724340	238000	1010782	270868	497717	348947	195101	878823	877461	1605893	1434804	1035153	488170	564946	551215	853398	244477	609162	513938	417091	545315	497265	531920	453455	1994533	374222	620236	367403	237736	1199669	766963	236598	7044	593	0	2777804	967204	0	457301	424025	781745	755790	457907	525	959835	502184	274514	486107	635396	230381	477070	768596	873007	631849	245889	646661	403124	292794	762151	1402997	964979	481140	413306	493599	287160	439179	433	371093	486332	467009	386680	886602	353433	727656	582389	307691	350241	253333	350825	312956	507155	697332	574970	690152	759843	663	613039	715036	564069	403728	350217	359641	288314	568644	1068743	367070	470747	0	403726	1037960	Phytochemical	0.5	1.2083334	0.041666668
22	C24 H29 O12 N1	524.1763	524.177	0.14156573	524.17633	44821	36923	40612	36432	45041	33412	11785	33112	49886	96952	26520	13391	72197	20217	29640	21591	13214	70053	52902	92178	105864	51639	30385	30441	26558	55536	9067	23795	32511	17861	26039	25201	25610	21076	87000	21059	31168	21385	12720	61552	37868	16808	0	0	0	139332	130694	0	24385	23482	40110	35492	33422	411	63647	43924	17927	19107	19353	11872	31668	37574	64028	42401	19934	43584	27270	8817	45244	81530	49938	29038	24380	29622	15553	21997	0	20002	25793	30035	23597	87082	19619	38267	53491	26873	19183	16371	18772	10972	23901	22567	30602	28781	69968	0	37941	44093	39043	29711	33249	22109	16429	30530	99108	20526	40958	0	18279	71168	Phytochemical	0.5	1.2083334	0.041666668
12	C24 H29 O12 N1	524.1763	524.1771	0.1135935	524.17633	56092	65602	61769	57669	33280	26646	42586	72879	48054	133235	68111	41291	53809	17891	46967	52707	46177	56897	69994	128511	131880	108446	57041	61533	33023	50520	30885	55726	67864	47080	56821	43730	64944	44321	168134	52277	44564	40100	49205	91400	112821	31532	772	0	0	117139	146659	0	47631	56935	55903	58837	31205	0	64972	34220	24819	53240	75154	38339	43331	76593	64557	42946	19168	45886	31366	45630	54974	65172	63889	50290	45678	56168	38322	47278	0	43520	49622	40605	43414	71661	42250	47608	42065	28730	39512	23619	29254	52483	37268	55510	76669	68970	80901	0	61832	68673	41738	27036	31820	60736	36880	65181	103634	53692	34701	0	40665	58745	Phytochemical	0.5	1.2083334	0.041666668
8	C24 H29 O12 N1	524.1763	524.17725	0.17135891	524.17633	17493	10923	9800	10290	9360	5398	5463	14015	9938	22382	15670	8362	20625	5316	7508	8452	10165	10879	11375	18378	23988	56238	9671	17422	6142	5561	4932	6013	11355	8911	8560	7422	12248	9187	36353	9484	14725	7159	11611	12533	20116	6753	0	0	0	16930	23546	0	11659	9604	12563	16865	6867	0	14555	8116	4417	9483	8388	9651	7793	11630	19630	11249	3069	12747	5249	12915	6802	6994	12027	9670	8764	10719	5652	8184	0	5053	10842	8868	6947	12097	5424	11966	9053	0	8762	5969	5779	14740	0	8761	16373	16620	19902	0	13419	13832	7914	10054	8296	12781	7292	18717	14234	9611	7221	0	5347	16316	Phytochemical	0.5	1.2083334	0.041666668
28	C24 H29 O12 N1	524.1763	524.17694	0.11779974	524.17633	6244	3888	4520	4525	5856	3769	1702	3307	4679	20231	2673	1500	11591	1968	3343	4467	0	5617	7995	19822	21270	4829	2936	4655	2238	9437	0	2436	0	0	1441	2464	2437	2074	16609	0	3329	1153	1705	9220	8399	0	0	0	0	17284	22480	0	3342	2785	4531	4639	4958	0	4326	4455	1282	3351	2277	1385	2202	9122	9960	3916	2000	5178	2435	1324	10348	19523	15183	2460	2082	3094	0	1588	0	1254	2270	2688	2671	11108	1875	5791	7545	3341	1560	2311	1626	1769	4967	5561	3485	3809	9045	0	3858	6501	3955	2989	2946	2042	2208	0	14940	2449	3428	0	1366	9282	Phytochemical	0.5	1.2083334	0.041666668
24	C24 H29 O12 N1	524.1763	524.177	0.14048417	524.17633	13935	19259	16863	17545	19008	16143	3286	9499	17887	40214	12403	6156	37352	6997	9329	7965	4464	25416	24615	32464	38536	18251	13053	12638	6395	29238	4120	8847	7950	5493	8384	6229	6827	6935	41381	4177	8358	7784	4062	28739	17875	6606	0	0	0	65919	68269	0	8427	10090	16187	18181	15676	0	24479	17135	5604	7996	9940	4940	8943	19808	23997	14695	4849	20518	7714	4174	21737	37657	21344	7666	9130	7755	6013	7800	0	7973	10295	13853	8111	40795	5829	15767	22060	14258	6320	4004	7296	4890	5974	8144	9892	11641	23745	0	17345	20382	16351	14789	13343	6460	7218	12710	41786	10028	14023	0	7118	35595	Phytochemical	0.5	1.2083334	0.041666668
10	C24 H29 O12 N1	524.1763	524.1772	0.18058316	524.17633	29984	31105	28966	31053	18295	12442	14032	30788	21641	63492	32749	19095	33755	8858	16191	29833	20570	24669	23788	61717	64473	59593	24316	28537	15403	21576	19863	17006	22932	27105	24733	24635	31361	20132	76590	30179	25515	18704	23845	41417	40766	13800	0	0	0	46727	57920	0	28050	27132	31641	26352	13708	0	31290	18056	11306	26269	26821	23394	25798	33393	31657	24047	10302	25957	17017	25545	23224	27390	31113	25364	23958	28510	18416	21673	0	16471	21130	23416	22133	26686	17158	24527	24354	11067	21646	13278	14588	28326	16120	23114	37253	38139	44904	0	29854	32831	16050	17136	16643	29453	16951	31744	31321	26297	17213	0	13623	31069	Phytochemical	0.5	1.2083334	0.041666668
26	C22 H29 O8 N5 S1	524.18097	524.1818	0.28454578	524.1811	0	0	0	0	0	0	3231	0	0	0	0	8326	0	0	10657	0	6986	0	0	0	0	0	0	0	0	0	2734	0	0	0	0	0	0	0	0	0	0	8546	8785	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3166	0	0	0	0	0	0	38382	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5594	0	0	0	0	0	0	0	Peptide	0.36363637	1.3181819	0.22727273
14	C23 H29 O11 N3	524.1875	524.18835	0.14696667	524.18756	15161	24071	19743	19940	8768	11867	16968	27521	9950	11397	7712	11417	13858	4611	26941	21320	22598	13457	12466	14379	13183	21407	24315	38166	25496	0	14853	0	24357	18588	21728	24452	33176	13209	19027	22117	24547	21338	15665	18569	11848	11729	0	0	0	19321	0	0	21151	25119	27582	19935	9653	0	17370	6759	8237	19815	42628	0	45345	13970	20256	11985	8283	14080	12421	9886	0	0	5077	25962	14669	20984	13303	21136	0	23440	18362	0	14860	12177	17002	0	9142	11640	20480	10815	15415	27609	30483	30386	48360	6977	14554	0	17584	22051	5089	5032	5236	25415	15670	29728	0	30936	7222	0	18222	15436	Peptide	0.47826087	1.2608696	0.13043478
6	C23 H29 O11 N3	524.1875	524.1885	0.1700451	524.18756	8625	10830	11101	9039	5430	4322	6145	11554	6978	9135	4791	7825	8326	1195	9327	11070	9998	6802	10461	11683	11184	17256	11462	16286	5591	1022	4406	0	10657	8593	10988	13422	12237	9750	13218	10133	13310	7465	14311	8867	14037	6082	0	0	0	10281	13230	0	13230	10765	10540	9441	6132	0	7578	4503	4104	12779	7178	9863	13772	5238	10172	6814	2984	7116	7249	16949	0	2009	0	9688	9422	7971	4962	8422	0	8258	9329	0	5591	5027	5943	2998	5991	2267	10558	5790	5884	20566	10607	15399	23140	8535	7322	0	11549	11102	2739	4760	6395	15654	5925	10532	0	14638	2984	0	7601	10542	Peptide	0.47826087	1.2608696	0.13043478
8	C23 H29 O11 N3	524.1875	524.1884	0.12213323	524.18756	21844	21551	19822	23357	6840	8470	12333	24601	11970	15393	10007	11831	12904	2203	16260	25088	19962	11016	18070	23652	17816	40251	20229	29931	11446	1613	13586	6669	19699	15562	19795	17723	21364	15692	25272	17167	22593	14417	22896	21873	20906	9250	0	0	0	18587	22835	0	22643	21241	19768	21845	9135	0	14837	7153	8506	23592	22912	20222	28481	14546	18709	13615	6886	10254	10799	23597	0	3406	4854	18872	19236	18235	13310	16927	0	13338	20055	8312	14684	11713	13234	9116	7637	7914	18847	11914	13110	39640	14895	24118	45608	17066	20773	0	25546	19883	4555	11437	7166	19068	15367	33888	8149	26945	4498	0	14299	14355	Peptide	0.47826087	1.2608696	0.13043478
12	C23 H29 O11 N3	524.1875	524.18835	0.13751365	524.18756	34893	22861	30907	29966	11138	14738	28487	43204	16901	31305	14153	23786	16435	4779	37085	31876	31496	26485	26992	40693	26567	72119	30287	39959	26969	5384	18283	0	32541	27309	36587	38342	37821	26293	36215	30806	44242	34363	29934	38937	37095	17933	0	0	0	47339	24024	0	29970	31163	33168	28511	19704	0	32514	12135	14206	38834	46131	24744	20788	37139	24368	23228	14312	19422	17763	30370	0	16385	6471	34131	26563	35399	15599	28284	0	28017	23286	0	23804	25451	30755	17953	13839	15782	30859	12575	20513	53365	22252	48037	63319	14917	15291	0	35537	27494	13880	10386	12458	31955	24344	30942	0	38589	13067	0	23650	25231	Peptide	0.47826087	1.2608696	0.13043478
26	C28 H29 O9 N1	524.1915	524.1924	0.08326381	524.1915	0	0	0	0	2251	0	0	0	0	8125	9572	0	0	0	0	0	0	0	0	0	10260	2707	0	0	0	8409	0	6639	0	0	0	0	0	0	7768	0	0	0	0	6534	9178	0	0	0	0	7455	8688	0	0	0	2691	0	0	0	0	0	0	0	0	0	0	4420	0	0	0	3059	2411	0	18271	12281	22711	0	0	0	0	0	0	0	3135	0	0	5324	0	5163	0	0	0	0	0	0	0	0	0	4819	0	0	3362	0	2649	0	0	0	0	0	0	0	0	0	0	3687	Phytochemical	0.32142857	1.0357143	0.035714287
24	C28 H29 O9 N1	524.1915	524.19214	-0.035308123	524.19147	5959	5939	5779	6189	3004	4110	0	3955	5216	23146	26245	1428	4259	2943	1775	2120	2306	4251	6938	21016	23795	8130	3141	4244	3837	23122	1461	17451	1248	1628	1599	1443	2917	0	30254	1719	1584	1216	1067	21817	19828	0	0	0	0	13643	18575	0	1736	2387	5875	7178	5276	0	5219	2562	3195	3062	3254	1629	2622	11859	4782	5064	1699	6489	3282	0	33431	32905	40402	1521	2312	0	0	1583	0	0	3404	7713	3981	10742	2127	10440	6869	0	2295	2736	2837	2401	6097	4399	2948	7798	13168	0	6774	4026	4773	4077	4267	4122	1267	2865	7296	2214	3526	0	2936	5842	Phytochemical	0.32142857	1.0357143	0.035714287
8	C22 H29 O10 N5	524.1987	524.1995	0.20168038	524.19885	0	21156	7680	21408	4416	0	6648	10249	9189	11127	6045	10287	11346	0	8004	0	16053	8136	8769	12408	18621	44913	10242	13731	8541	2025	6879	7950	13116	13812	13971	9342	26304	17514	44405	12249	13926	9777	12321	18720	9048	3975	0	0	0	0	16233	0	13641	11961	9903	8802	0	0	20007	18822	4182	15154	0	4851	0	4095	10292	7626	0	18081	5634	12459	0	0	0	12903	20400	7599	7989	8397	0	0	14129	6531	14205	9816	5022	6099	6987	0	11574	15183	7379	16881	0	0	43989	14871	17061	0	23523	9825	0	6324	0	20937	6018	9369	0	16611	6624	0	10075	0	Peptide	0.45454547	1.3181819	0.22727273
28	C25 H33 O11 N1	524.21265	524.2134	0.11448918	524.2127	4963	5358	7561	3912	6181	4563	1408	5849	7094	19306	5165	1723	14216	2585	4199	5400	3548	7271	7643	22378	21051	5518	4436	6892	2927	18896	2536	6875	3722	4175	4708	2785	3372	3508	17772	3784	4630	3323	3687	7989	7005	0	0	0	0	11017	11355	0	3818	6982	6486	5051	4053	0	7641	5498	2170	4469	1848	2031	6355	5579	6206	3679	1938	7036	3980	2149	15699	27209	20601	4165	3505	3487	2568	2804	0	2909	4737	0	4012	6908	2523	6726	6058	2867	3841	1727	3331	2238	3319	5446	5422	2644	5262	0	5372	6935	5593	3588	4557	2715	2948	6588	7703	3469	4539	0	1848	8078	Lipid	0.44	1.32	0.04
12	C25 H33 O11 N1	524.21265	524.2135	0.08259317	524.2127	42463	32859	41034	39456	17934	20101	38865	66108	27562	59893	32329	27599	29559	17457	37119	42621	37991	36556	42413	78831	71967	66797	44059	53721	40753	33830	26847	32057	52079	37544	42652	31571	54304	34873	97936	48468	36166	30552	40793	51612	41219	23139	0	0	0	53518	56742	0	38704	38247	31988	34041	24170	0	33142	28696	17947	40713	48161	29639	28934	34162	26474	26202	12383	29689	21801	41059	42082	50245	45910	43160	37628	41597	30301	35347	0	32217	35542	26837	29075	29985	30710	35272	25334	17028	35305	16631	20415	59151	33632	48876	54647	34967	36542	0	38602	49918	24886	18930	21565	51808	26851	54814	42170	36710	23996	0	30736	26675	Lipid	0.44	1.32	0.04
26	C25 H33 O11 N1	524.21265	524.2134	0.101954356	524.2127	10970	11644	16545	11398	14376	12342	2993	13193	16097	37441	12631	6310	29352	6529	8072	12458	0	28091	21767	39469	41444	13508	11775	12697	7486	22721	2563	8408	11494	7116	6590	6487	8101	13413	33106	8166	10968	7260	4823	21126	14264	0	0	0	0	24187	29252	0	11977	11340	15194	11357	12116	0	21693	12845	3075	10881	5431	4865	10462	11196	23688	15603	5088	15727	4623	4799	26153	50190	34812	12177	7798	0	0	6955	0	8573	11522	5097	7387	16659	5649	14550	18805	0	11016	7066	5479	3658	9476	9504	15042	6277	14579	0	14431	13471	10384	11717	9072	8188	5335	14094	14874	6056	9627	0	4406	25831	Lipid	0.44	1.32	0.04
14	C25 H33 O11 N1	524.21265	524.21344	0.085674554	524.2127	88991	98325	80798	82612	52916	44854	64708	129897	59593	162778	85678	56185	73104	37903	86658	104058	86493	80190	85705	176037	152239	121033	90788	121201	83326	103016	52421	75708	116137	99342	78638	107867	88908	77798	177489	107989	73468	67111	74420	121665	103013	51210	0	0	0	125134	110022	0	88635	100248	83134	74531	49133	0	82139	50119	33158	102981	135729	68007	111628	88261	64389	55818	35333	59631	46834	63107	93577	116004	98016	84779	78917	104390	79793	80755	0	66891	78059	72043	62735	73427	73670	77713	58732	40958	70268	51336	53909	94877	78178	90289	117148	62861	92568	536	89793	111003	47083	44538	43623	105117	56960	146317	86407	64185	46318	0	58491	66603	Lipid	0.44	1.32	0.04
16	C25 H33 O11 N1	524.21265	524.21344	0.11767831	524.2127	174032	158387	173597	162295	103775	91372	104323	213211	123868	295400	137082	109392	148709	66865	173288	192111	112570	163165	173962	363990	317784	165143	167197	212984	159099	240022	85544	122508	190859	176713	157622	190594	157070	146585	317905	191729	169068	119377	106122	222619	155406	101129	4758	532	0	234936	196181	0	0	188799	158121	154317	98425	661	166081	99383	68008	156614	160453	98003	203424	152466	129343	113865	918	119558	110652	97647	206006	289371	226897	188824	172815	200998	132259	163805	0	121847	133387	114515	0	0	135412	153332	134289	90914	114357	75996	94132	157697	161061	171414	251261	107942	203198	1061	165119	203667	97631	74306	96857	181964	100701	215375	151523	166864	105279	342	118491	140692	Lipid	0.44	1.32	0.04
24	C25 H33 O11 N1	524.21265	524.2133	0.061392758	524.21265	38671	36811	42901	32656	40895	0	8208	28331	35778	81707	26509	20193	77320	19062	25143	0	14371	50981	0	82382	87331	37189	33857	34043	21758	52689	9044	23371	23723	25563	20804	19203	0	0	84463	0	30813	21200	9952	51412	35015	17694	0	0	0	71611	73834	0	22515	21977	35135	34538	28674	0	46773	32814	17174	28005	22150	12761	28619	35495	53185	37808	11668	45201	22438	13219	49190	94527	84711	0	22453	21448	16978	19513	0	17863	27122	18363	24388	37651	14579	28368	39333	23205	18299	0	16916	15151	21766	27080	41043	18138	36893	0	40301	39594	26687	26535	33649	0	14939	29526	42514	0	24977	0	14867	0	Lipid	0.44	1.32	0.04
14	C24 H33 O10 N3	524.2239	524.22455	0.1758643	524.22394	10203	9192	9403	8080	2763	3883	8247	14202	7515	7265	0	6724	5604	2231	11198	9454	7907	8431	8382	11865	5593	17147	10428	11578	16063	0	6208	0	14804	12497	11699	0	17703	9601	9588	13699	14243	11707	4378	7540	0	5331	0	0	0	8900	0	0	12404	11017	8599	10330	4537	0	6050	2744	3890	16138	15349	0	0	8016	5086	6307	5166	7450	6600	9726	0	0	1645	14622	6501	9560	6571	11303	0	9157	9088	0	8557	7559	11194	4293	0	0	6658	3900	4363	11859	22727	20468	26765	4452	5847	0	9044	8390	3092	4021	2629	11995	6615	14119	0	14963	6059	0	10060	7446	Lipid	0.41666666	1.375	0.125
6	C24 H33 O10 N3	524.2239	524.22485	0.19770253	524.224	6850	7500	5994	6224	2136	3313	4338	8917	3592	8167	1205	3290	4056	967	6993	8162	5190	3617	4030	5958	5063	9271	4629	10343	6638	0	3532	0	8743	4132	7468	7567	8835	6595	7072	9415	10153	4757	6211	6047	2855	3041	0	0	0	6424	3798	0	8303	7015	6794	6947	3445	0	5493	3995	1601	9704	6121	2539	8662	3729	3830	5837	2283	4241	3647	5749	0	0	0	7373	6541	5483	2845	5479	0	3939	5436	0	4501	2745	3961	3083	2113	1895	4894	3778	4455	10427	7243	13732	20580	2515	5411	0	5303	7507	1819	3786	4841	7994	4654	11324	0	8655	0	0	5363	4064	Lipid	0.41666666	1.375	0.125
8	C24 H33 O10 N3	524.2239	524.2248	0.22311993	524.224	10648	15417	8068	12795	3983	4704	7658	9498	4047	8748	3383	6649	6083	1894	13231	12180	5090	5233	8471	12505	9785	17499	9458	16579	12153	685	6852	3529	10636	8697	12214	14413	13602	11740	12640	10124	14371	9793	10354	10293	8401	5891	0	0	0	11309	5008	0	11739	8819	10696	10993	4823	0	9571	5896	4009	15004	9351	3823	13475	5423	6016	7952	2160	7022	5763	9101	0	2520	0	12966	11603	8004	4862	10255	0	6920	10103	4873	7897	5592	6435	6547	5093	4365	9650	5491	7313	17197	14916	33036	29221	4770	7639	0	11022	14328	3686	4946	4915	13032	5268	13743	0	12560	3871	0	10007	7723	Lipid	0.41666666	1.375	0.125
26	C29 H33 O8 N1	524.2279	524.22845	0.057980932	524.2279	2960	0	3230	0	3488	0	0	0	3002	7374	12162	0	0	3174	0	0	0	0	0	9370	10354	3588	0	0	0	19260	0	9755	0	0	0	0	0	0	7339	0	0	0	3235	11920	10655	0	0	0	0	0	0	0	0	0	3569	0	0	0	0	0	0	0	0	0	0	6405	0	0	0	3279	0	2133	24737	18363	24755	0	0	0	0	3249	0	0	0	0	0	6541	0	8893	0	0	5718	2812	0	0	1785	0	0	4589	0	0	3575	0	0	4718	0	0	0	0	0	2817	0	0	0	0	Phytochemical	0.27586207	1.137931	0.03448276
24	C29 H33 O8 N1	524.2279	524.2286	0.017160317	524.2279	8186	10237	7473	11009	5306	4028	1381	6655	8099	19480	20816	2621	7446	6185	3301	7276	2705	6738	9020	29757	28556	10153	5724	10021	6444	52228	2487	26199	4575	4033	5704	5237	9081	5688	26997	8090	7793	3577	3037	26589	25820	5756	0	0	0	15415	13316	0	7964	4879	7290	8209	7474	0	8373	4266	5691	6555	7001	5586	8386	19426	6278	5025	4213	6807	9096	6224	46219	39045	51036	4975	4568	4934	2220	6817	0	5402	7742	9205	5541	10886	7334	18717	8369	7106	10629	5864	7077	8359	7752	8974	13604	13163	10693	0	10124	7924	6429	6814	8509	7980	2396	8246	7913	8587	7143	0	5898	3815	Phytochemical	0.27586207	1.137931	0.03448276
22	C29 H33 O8 N1	524.2279	524.2286	0.03888443	524.2279	15334	15028	14426	17046	8537	6867	5956	7730	10307	25510	36472	6985	7043	6456	5848	13883	12539	11720	8115	29343	36042	15780	9102	13880	8027	54653	3185	29521	9475	5596	10003	12985	14107	8120	23869	8647	7276	8518	5829	30393	33239	10977	0	0	0	14788	21572	0	8164	9425	12292	12202	7844	0	6148	6747	4973	9799	7222	6318	12942	19442	6594	8349	5155	10199	7739	10606	53682	55211	67300	8973	9066	4554	5049	7758	0	6451	12495	10649	5367	8325	7219	23404	7769	6190	16528	5716	11550	20294	13927	12858	23061	10849	11709	0	14747	12860	7873	7128	7919	12952	7048	13585	8504	20488	8324	0	9612	5490	Phytochemical	0.27586207	1.137931	0.03448276
8	C23 H33 O9 N5	524.2351	524.2358	0.32562175	524.2353	7519	2707	1561	0	636	3263	3742	6170	1768	0	3210	3726	2594	0	6986	8071	5070	0	3666	4092	4574	7600	4442	6226	2621	0	2906	16037	2445	7906	6270	6478	7704	4480	0	6384	2497	2683	4954	0	870	4664	0	0	0	0	0	0	6142	5496	4172	2555	0	0	2174	1890	1533	8303	0	0	0	2284	1593	0	0	2516	6018	5794	0	3570	0	4520	4938	3792	5648	4298	0	4344	3444	88054	3304	1510	1141	0	0	0	6059	3046	3462	7865	88436	32512	14638	10423	0	0	5246	3035	0	2166	0	5717	0	6448	0	6948	0	0	1850	1383	Peptide	0.39130434	1.4347826	0.2173913
4	C23 H33 O9 N5	524.2351	524.23615	0.19050395	524.2352	1307	1801	0	1332	528	2293	559	725	1529	0	0	542	1180	657	1102	838	1659	1187	1471	0	0	1147	1152	1925	1039	0	0	9590	1043	816	1488	1250	1651	1794	0	1315	2304	763	4171	0	442	932	0	0	0	0	0	0	0	0	1016	1298	757	0	1295	933	342	1462	771	0	1366	0	596	629	0	841	855	1270	0	0	0	1059	1400	1474	0	864	0	1214	1131	35565	537	0	0	0	997	540	1463	767	569	1089	22087	6160	2262	3552	1515	0	1560	1522	769	684	596	1465	746	0	0	1250	896	0	991	1158	Peptide	0.39130434	1.4347826	0.2173913
28	C26 H37 O10 N1	524.249	524.24976	0.08674159	524.2491	8694	5757	11418	6591	8776	7470	2673	8474	8615	19201	7019	2752	15721	5083	7067	7871	3273	11102	9674	23614	21959	5432	5936	7212	4687	21294	1999	7877	5743	5203	6134	5231	7710	6421	23130	5944	6010	3333	4106	11522	5693	3791	0	0	0	7377	8214	0	6222	6045	8373	7875	6340	0	9716	6659	3493	6562	2664	2883	9060	4201	8892	6685	1440	10147	5151	3787	18474	34543	29734	5570	5686	4649	3693	4229	0	3170	6298	4175	3604	3238	5179	7065	10345	4528	6997	3702	3840	3984	6650	10336	9791	2165	5488	0	9372	9045	6386	6415	8670	6720	4094	4675	4800	7912	4465	0	4209	9591	Lipid	0.3846154	1.4230769	0.038461536
8	C26 H37 O10 N1	524.249	524.24994	0.096298814	524.2491	10836	14998	9740	12642	6356	4290	7178	17980	5020	13740	5592	5916	6064	0	6964	11016	7542	7768	7228	13756	13150	11540	5754	20114	8024	5752	5624	6324	13666	17436	12196	14312	13524	10684	21460	13316	16570	5914	12424	10130	8246	3824	0	0	0	12096	9052	0	17658	16718	10110	14650	5516	0	7314	1846	3300	9130	2654	2598	16224	6426	5312	5262	0	5380	6590	8978	0	8992	6968	12122	15050	11274	7812	14298	0	9806	5776	5120	5198	5340	5692	9286	4428	0	7446	4242	6872	12204	0	15912	18794	4038	12352	0	13992	10502	4258	3866	0	14574	5590	21250	0	9684	0	0	11168	6104	Lipid	0.3846154	1.4230769	0.038461536
16	C26 H37 O10 N1	524.249	524.24976	0.042332955	524.249	73830	74520	79192	73110	48132	43619	60174	127399	55453	69483	59529	66259	58310	31281	89124	110500	77050	69610	85090	138034	0	73891	94778	124573	82810	109244	66051	52278	103966	99110	91124	92123	86794	69953	96966	100756	90933	60983	72419	81942	72029	54414	2288	0	0	93760	66421	436	106839	96998	73175	81953	48448	489	70454	50986	39896	91965	63786	64754	110140	51955	54860	44224	33362	44723	57268	67242	85952	111743	0	89163	91594	113985	79938	90013	0	68999	72406	49046	64905	46617	74463	50448	63217	39504	66273	46628	52151	78936	88286	86962	148909	42027	78666	0	81868	84245	40240	38983	54269	91449	56942	111054	49708	95830	56499	0	73915	48673	Lipid	0.3846154	1.4230769	0.038461536
14	C26 H37 O10 N1	524.249	524.2498	0.09827664	524.2491	30587	31872	30802	33511	14642	14666	27706	50227	16817	30589	17313	24286	21847	11185	34113	47797	40455	21408	30270	59688	47793	30468	29388	43063	36534	37137	28948	25695	41841	44508	29752	44326	45591	28091	41021	48297	37380	24380	38478	35445	37350	20427	0	0	0	38843	31523	0	37836	38911	28213	26093	14669	0	25014	16747	14841	40660	36385	23330	37382	19061	21655	18013	12937	18361	19381	33873	29646	41766	36638	29266	32084	42724	32699	36057	0	26950	30589	27120	28191	18726	27616	24046	21311	16315	31957	15241	22268	54427	38410	33084	59998	12064	29673	0	30595	40015	12247	16945	16860	42641	22347	55367	0	31243	17748	0	25972	20076	Lipid	0.3846154	1.4230769	0.038461536
12	C26 H37 O10 N1	524.249	524.2499	0.16833298	524.2491	11321	13197	8553	13475	8206	6010	10955	22461	10191	15095	9431	9721	9048	3824	16748	18619	18474	10051	12264	20028	23725	19259	12212	22437	15971	14644	7861	10167	18912	16379	14699	18614	21269	15514	26536	20026	18540	13193	16342	16096	12455	8294	286	0	0	14750	14301	0	18730	14211	13995	12265	7955	0	9544	7004	4542	25134	6844	0	0	10276	7708	6284	4100	8611	8273	14902	19788	17324	14724	11022	15994	14408	17463	15378	0	12151	14788	0	13937	7203	8366	9666	6248	7781	11822	3254	7716	26166	16284	20238	23501	11079	10362	0	17649	13150	4730	5053	6777	16783	7964	20640	0	13680	4251	0	13857	9233	Lipid	0.3846154	1.4230769	0.038461536
24	C30 H37 O7 N1	524.2643	524.26495	0.026980385	524.2643	8636	13262	6564	10662	5554	5265	6386	8506	4096	12423	21313	6240	3707	7114	5521	12876	9713	4109	7027	19905	17947	9469	9156	13414	10829	36158	5164	19226	10859	9735	7944	11680	12374	11747	8660	8137	10992	4920	9899	17929	16757	4672	0	0	0	9162	9976	0	11003	10404	10766	11098	7039	0	5475	5875	3662	15774	7145	9952	13269	13144	3347	2947	3519	6740	11031	8933	34690	29065	34341	7836	7094	8500	3844	8517	0	5331	12870	9070	6343	7112	6746	16149	6183	4860	13405	7177	10210	16025	9764	11833	21984	11356	9147	0	6726	11275	4332	6126	6807	13465	5506	12015	8464	12389	4053	0	10837	2845	Phytochemical	0.23333333	1.2333333	0.03333333
26	C30 H37 O7 N1	524.2643	524.26495	0.11949209	524.26434	4348	3566	4382	4287	4246	2562	0	0	0	6075	8258	3509	0	2134	0	7380	0	0	0	7594	9685	2407	0	8432	0	25889	0	14196	0	0	4860	0	4946	4014	2376	9422	5777	2817	4130	9549	10719	0	0	0	0	8778	7671	0	5807	8010	5338	3781	3126	0	0	0	0	6493	3403	0	6007	3130	0	0	0	2843	4178	4082	28768	14146	20771	6580	4125	0	0	4364	0	2615	3715	0	6335	3125	3633	8067	0	0	10899	3123	0	5278	7940	5678	9011	6110	0	0	3647	6694	2488	3332	5012	7780	0	5493	0	6579	0	0	3991	0	Phytochemical	0.23333333	1.2333333	0.03333333
10	C24 H37 O8 N5	524.2715	524.2724	0.37754756	524.27167	3147	1548	0	1945	0	1883	3285	1174	0	0	0	2552	0	0	1120	0	3586	0	1537	0	0	0	0	0	1550	0	7563	11379	4875	6032	4170	9580	4638	2854	0	5982	5080	1004	5437	0	0	0	0	0	0	0	0	0	3629	1133	2016	2386	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2932	0	0	0	2532	10088	19344	5801	8961	0	2599	0	81720	0	0	0	0	0	0	0	0	0	0	131871	38067	0	2649	1238	0	1493	0	0	0	0	3835	2071	0	0	0	0	0	0	0	Peptide	0.33333334	1.5416666	0.20833333
8	C24 H37 O8 N5	524.2715	524.27264	0.3584643	524.27167	1113	1378	0	1355	0	2581	0	0	0	0	0	0	0	1238	1068	1441	0	0	0	0	0	0	766	0	1450	0	0	22718	0	0	878	1175	1023	0	0	896	1473	0	916	0	0	618	0	0	0	0	0	0	0	0	814	873	0	0	0	0	540	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1097	0	0	772	0	0	0	115000	0	0	0	0	0	0	0	0	680	0	105943	29712	1463	8940	1605	0	0	2096	0	0	0	0	0	0	0	0	0	0	755	0	Peptide	0.33333334	1.5416666	0.20833333
16	C27 H41 O9 N1	524.2854	524.2862	0.08232019	524.28546	8549	14046	13105	13009	7032	3928	8980	15566	6005	3333	6176	11301	7507	3637	13499	14717	16819	7840	12702	12904	7241	8660	11382	19708	13136	11065	9315	7408	13640	19677	12014	12190	21277	9317	5492	18378	17402	9842	17214	2518	8091	8389	0	0	0	8081	7012	0	19793	12375	10556	10619	5884	0	6907	7589	4891	19435	5640	9590	18986	3977	2735	5881	5000	2891	7165	16580	7893	10360	8445	10803	12576	23327	21806	15968	0	10189	14494	5503	12614	6045	10641	6186	8787	6424	12682	5323	5789	0	13303	12799	0	4285	8011	0	10065	10137	5043	5472	6755	23470	7990	13406	4803	15005	10641	0	11741	3975	Lipid	0.33333334	1.5185186	0.037037037
18	C27 H41 O9 N1	524.2854	524.28613	0.020866128	524.2854	37824	35281	37425	30579	30887	15835	36002	56167	22191	21959	26786	26579	24399	16949	43733	64509	40983	28107	37596	43012	36913	28400	46629	54015	29921	34348	34578	22014	64720	47865	35729	54237	41588	42251	20642	57812	42872	27454	42787	27581	24766	27790	498	0	0	26141	27936	0	38483	46089	35039	32180	28887	0	38810	25216	19187	45363	25774	26434	54508	12319	24381	23878	19406	24271	24230	49788	35973	40419	40801	34924	44432	45209	52431	38936	0	28023	34860	20341	35475	15023	29614	19167	28993	25242	40092	24190	24525	47646	44882	38839	55260	14469	19984	0	33183	45115	22772	28070	26551	53136	25211	54093	17073	41795	27438	0	30271	29141	Lipid	0.33333334	1.5185186	0.037037037
26	C27 H41 O9 N1	524.2854	524.28613	0.05690198	524.28546	43741	41114	38734	38451	57968	37061	17427	51777	48012	63853	32740	19885	71693	29025	42562	40622	29777	59823	80251	83770	79073	36092	36045	49733	34237	71920	18426	38698	53777	41874	43251	35545	50916	43107	89077	51677	57726	29473	27788	47063	30713	26392	0	0	0	47045	23231	0	40214	34045	45556	37952	41747	0	75295	56999	24723	47272	34849	17117	47529	32779	60960	48534	19000	50715	38176	24095	71721	119358	86967	42448	41002	48983	24522	40350	0	32889	46422	15415	30148	19839	29935	37916	53184	31589	35628	26587	31479	28551	48836	47182	52049	22027	40335	0	45613	51474	30296	46483	55615	62082	22180	47158	23543	36510	40198	0	28423	54252	Lipid	0.33333334	1.5185186	0.037037037
18	C30 H41 O5 N3	524.3119	524.3125	-0.53584146	524.31165	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1776	0	0	0	0	0	0	0	29675	12091	2045	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29592	1355	0	0	0	0	0	Lipid	0.16666667	1.3666667	0.1
22	C28 H45 O8 N1	524.3218	524.32245	0.00979642	524.3218	21163	24849	24915	27012	35882	18982	31041	35971	27542	8254	10162	18896	21923	17672	29414	32920	43348	25909	47912	21574	20009	11519	29968	26550	26950	31002	23742	16099	42859	38142	22641	34332	43475	24634	14439	38542	33164	24728	45395	14719	11734	24125	0	0	0	17510	14315	0	27219	30970	29354	26405	31700	0	46133	32883	18102	34013	21924	21932	36475	7846	29185	33824	19088	30162	25733	33852	25219	24156	24854	16516	31620	40476	36114	30596	0	20853	33361	12270	22005	9223	25907	13090	46902	28839	36597	23013	29579	33757	32649	33463	30638	11993	16887	0	23610	31648	25921	34593	46028	46946	23932	35617	11818	28937	34023	0	26517	22306	Lipid	0.2857143	1.6071428	0.035714287
26	C28 H45 O8 N1	524.3218	524.3225	0.028551146	524.32184	45341	36011	43103	42316	64379	30533	38644	52140	55753	33592	27484	21855	44827	47919	48640	43668	39200	60653	77328	49024	40193	32252	29805	50426	49839	50788	32255	43867	63899	52901	47938	48052	66805	37702	44558	67546	62736	38013	36256	36835	23565	42043	0	0	0	37608	15128	0	50614	41925	48301	39999	52816	0	84241	58126	27388	50260	44167	21107	49739	28260	51204	53191	27928	44059	43157	38821	48213	64456	49611	36611	39143	54037	29440	50906	0	41148	49481	28986	36493	21575	44486	30317	67320	45790	48453	26319	40318	33313	51806	63722	51584	24766	29402	0	44573	51640	38743	54572	61615	79563	23106	62934	28500	41679	63993	0	39039	46736	Lipid	0.2857143	1.6071428	0.035714287
10	C32 H45 O5 N1	524.33704	524.3374	-0.100644276	524.337	0	0	1642	0	0	0	5101	16781	0	0	0	24648	0	0	8438	14427	0	0	0	0	0	0	0	0	0	0	14282	0	0	0	1937	0	0	0	0	0	0	6828	0	0	0	0	0	0	0	0	0	0	0	21754	0	0	0	0	0	0	0	4481	0	0	0	0	0	0	0	0	0	0	0	0	0	3932	0	0	0	0	0	21318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1509	0	0	0	0	16445	0	0	0	0	0	0	0	Lipid	0.15625	1.40625	0.03125
12	C32 H45 O5 N1	524.33704	524.33777	0.2379761	524.33716	2774	3081	3718	2521	0	0	56570	75527	0	0	0	62458	0	0	28356	36131	0	0	0	0	0	0	1600	0	0	0	61611	0	4983	8179	12938	1993	0	2128	0	3216	0	32087	0	0	0	0	0	0	0	0	0	0	7501	81819	0	1668	0	0	0	0	0	11403	0	0	18242	0	0	0	2095	0	0	0	0	0	0	17981	2596	2775	3772	2709	0	78098	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2337	0	0	0	0	0	52917	0	0	0	0	0	0	0	Lipid	0.15625	1.40625	0.03125
26	C29 H49 O7 N1	524.35815	524.3588	0.01687264	524.3582	6925	5753	8473	4394	10824	3352	23688	6841	4691	2923	2981	4696	4340	9790	0	12790	11727	0	12137	0	0	2284	6558	0	9064	4979	26460	5897	15595	18390	10643	11242	15416	7473	1454	18223	12156	7395	13627	2046	2776	0	0	0	0	0	0	0	14550	9280	5838	6248	6675	0	15021	9102	4554	10491	6452	3311	9381	0	4433	9914	4715	9317	10213	13316	0	0	1917	4232	7239	11860	9227	11881	0	5411	6943	0	3759	0	9664	5013	10564	7648	15571	4223	7625	9921	8472	10544	7304	2357	0	0	6653	6298	4847	15619	11932	16573	5411	10890	0	5580	13907	0	7565	5864	Lipid	0.2413793	1.6896552	0.03448276
14	C29 H49 O7 N1	524.35815	524.3584	0.040142693	524.3582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24478	0	0	0	0	0	0	0	0	0	0	0	0	1908	0	0	49967	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4173	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2413793	1.6896552	0.03448276
18	C22 H20 O15	525.0875	525.0883	0.24466372	525.08765	5635	8075	11582	8818	23155	10799	0	0	21896	5805	4080	997	46672	7789	4163	0	1813	20466	15546	3087	7253	18758	3499	3153	0	0	1083	1621	0	0	0	0	3274	0	8412	0	1850	3364	0	3327	5549	4546	0	0	0	12027	26150	0	1695	0	8475	7330	8689	0	26188	29493	9624	3600	2008	2201	1891	5727	47504	22204	7772	29277	8982	0	0	2518	0	0	0	0	0	0	0	2683	2771	11426	1832	18506	0	0	26153	8441	5545	4028	2966	2076	0	2026	4406	19737	13316	0	5207	5645	21032	26325	26942	0	2726	1951	23452	2391	17470	0	1689	43572	Phytochemical	0.6818182	0.90909094	0.0
20	C22 H20 O15	525.0875	525.08844	0.35486495	525.0877	4794	3459	4629	7242	13163	8779	0	0	14504	3291	2550	953	26146	4302	1673	1808	0	14234	9557	0	3734	14999	2992	1815	0	0	1190	0	0	0	0	0	0	0	0	0	1560	1741	0	2338	0	2419	0	0	0	9918	23747	0	0	0	6899	5329	5636	0	13644	15179	4365	2605	2424	1000	0	5065	28838	14471	3444	11574	1963	0	1437	0	0	0	0	0	0	0	0	1929	4564	9552	3071	13834	0	0	13573	5421	2788	3743	3127	1471	0	1921	2066	15558	9017	0	4515	2981	11605	15222	9996	0	0	0	17754	2180	11560	0	0	28947	Phytochemical	0.6818182	0.90909094	0.0
16	C22 H20 O15	525.0875	525.0885	0.34247774	525.08765	8740	10308	8585	7943	20206	13899	0	0	40756	6318	7051	2924	56223	6965	2253	0	1825	28748	25146	2820	8351	24988	5305	1499	0	0	1377	0	0	0	0	0	3442	0	8413	0	2769	3841	0	2581	8613	5356	234	0	0	9975	36325	0	0	1783	10957	9479	13309	0	27798	32465	11222	1902	0	0	0	3404	61131	26854	9908	39380	9628	2711	0	0	2891	0	0	0	0	0	0	3913	8774	21595	5619	19428	0	1257	36125	8854	6888	5410	7124	0	0	0	0	33339	10568	0	9101	8878	25147	33216	34154	1788	1862	0	30032	0	19693	0	1058	61575	Phytochemical	0.6818182	0.90909094	0.0
14	C22 H20 O15	525.0875	525.0885	0.29472917	525.08765	7526	8957	7745	11185	24405	10849	0	0	29359	6736	8110	1867	51171	6658	3365	2618	0	20794	20922	0	7009	22901	5249	0	0	0	0	0	0	0	0	0	3679	0	12276	0	2021	3199	2566	0	6391	7916	0	0	0	9453	43178	0	0	0	8969	7797	12531	0	17898	24625	9365	3001	0	0	0	4975	58789	26236	7249	26959	5351	3039	0	0	0	0	0	0	0	0	0	3775	8640	17347	9512	19118	0	0	34446	8631	6632	7529	6271	0	0	2308	4405	32037	11071	0	9552	0	26971	37132	38536	4641	3352	0	0	2023	21652	0	0	51502	Phytochemical	0.6818182	0.90909094	0.0
12	C22 H20 O15	525.0875	525.08844	0.260399	525.08765	9047	4728	3601	1972	16195	4115	0	0	21528	0	5100	3030	29715	3254	2862	0	0	14912	14715	0	3124	12341	2528	0	0	0	0	0	0	0	970	0	0	0	9244	0	0	1246	1668	0	7290	4518	0	0	0	3486	21772	0	0	0	7519	6827	6540	0	14728	16863	7206	0	0	0	0	0	41873	20894	3949	20244	3538	0	0	1097	0	1134	0	0	0	0	0	1653	9363	0	4103	10474	0	0	19766	4593	3785	3209	2873	0	0	0	0	20505	6199	0	10413	4883	19038	28184	24449	2535	1750	0	0	3424	14710	0	0	36546	Phytochemical	0.6818182	0.90909094	0.0
10	C23 H24 O14	525.1239	525.1249	0.28914183	525.124	30174	23390	25750	28376	44328	17322	11404	11336	44402	56846	52920	10752	63836	10084	12736	13908	18618	36246	46082	37534	59774	63440	19426	16722	0	4550	7144	9708	9696	10770	7346	10132	12564	9368	93698	7784	9750	16182	23880	18878	39760	9720	0	0	0	47540	115818	0	8214	7772	29224	26606	24074	0	56944	43132	16810	18002	9206	21262	0	17050	88136	51232	16692	41660	20672	28772	0	6678	37316	9100	10818	10486	17225	10360	0	9288	33152	28580	28134	48976	3710	6614	64170	20404	24308	19986	15856	17682	7076	9248	12790	80200	65962	0	37284	34794	48576	54278	57726	14396	12210	10640	63652	15248	47312	0	7264	72096	Phytochemical	0.6086956	1.0434783	0.0
16	C23 H24 O14	525.1239	525.12476	0.20425935	525.12396	120096	129361	115147	121260	151849	102119	29122	46540	219925	189881	104595	45178	323896	66682	63606	37466	27540	209420	214104	170661	183661	332081	83848	52174	32744	34082	34675	45110	34036	46808	44326	34782	77178	42997	268181	31106	80558	57168	29620	132873	136204	42962	2232	0	0	313159	776893	0	45004	45842	111140	118160	104995	0	208768	147268	64527	57990	62532	27892	51728	143871	321079	193834	53030	193464	87804	34272	56020	70356	75192	53076	34334	28924	23646	31332	0	50638	87618	169222	60933	321886	24146	55386	145550	81176	77077	57198	78852	0	32966	91487	66954	231752	251003	0	121382	92802	139526	122368	118102	54231	49988	45460	320458	55254	119720	0	36136	299845	Phytochemical	0.6086956	1.0434783	0.0
12	C23 H24 O14	525.1239	525.12476	0.19642879	525.12396	37148	38379	32036	34257	33584	24166	10457	13632	50254	52010	37988	18018	63572	13388	15597	13377	17053	48803	47386	33823	45280	90642	24298	21103	7387	3608	12369	8536	12050	11075	14177	14253	22079	12107	71980	8052	18528	17794	12952	27347	50047	18009	0	0	0	72744	156809	0	12921	14077	34925	36865	23574	0	51804	38725	20435	26363	12307	14391	0	24973	86280	39380	15984	44186	21610	16529	0	9712	19436	16042	11865	8059	14135	9804	0	13724	28381	42223	26781	129856	7660	9283	48133	21395	26659	13822	17741	15795	7463	12746	21112	74048	66724	0	34776	29838	47185	43794	37750	13478	14932	14776	90746	13787	34797	0	8015	64453	Phytochemical	0.6086956	1.0434783	0.0
10	C22 H24 O13 N2	525.13513	525.13605	0.19521378	525.1352	12020	13077	12034	14434	9672	5723	4863	12227	12471	11268	12123	11653	21836	2112	7927	6363	10997	15130	17650	13155	20528	28612	8568	9858	3455	0	4557	0	5161	5376	6455	8367	12676	7167	21070	5454	7257	7141	10524	14913	26450	8794	0	0	0	30059	62534	0	8265	9257	12509	14608	7376	0	16851	12489	6248	7053	5560	10002	0	15355	28991	18494	6107	17050	8307	14168	0	0	3962	5965	8966	5617	10288	5882	0	7397	9600	10262	8930	21179	2533	3542	14877	5717	7525	9977	9235	12068	3528	8489	16792	29772	17828	0	13680	17723	8878	13878	13943	13315	9177	9796	35701	11670	10172	0	3699	26769	Phytochemical	0.59090906	1.0909091	0.09090909
12	C22 H24 O13 N2	525.13513	525.136	0.16093458	525.1352	18042	13342	13708	18894	13036	9179	6628	14572	22259	16062	12284	13788	31076	2848	11312	14871	15821	20805	18278	15811	22558	50098	19029	8220	6152	0	8782	0	9273	9601	12460	8911	16973	7578	33649	10057	16615	13193	11353	22700	34059	8343	0	0	0	40103	81200	0	9073	7850	13226	13493	9666	0	28509	15496	10749	9947	16367	13009	0	19670	40141	23515	7173	19673	12851	19773	0	4220	7171	12040	10690	7687	9707	11300	0	12868	11206	17063	14116	34662	6037	4768	18340	8571	14165	12199	10016	18639	5073	12035	22529	32451	22038	0	22143	29252	11901	14142	14065	17018	12962	12048	49481	17787	11819	0	7272	40156	Phytochemical	0.59090906	1.0909091	0.09090909
16	C22 H24 O13 N2	525.13513	525.136	0.2321324	525.13525	8949	11122	12935	11415	10013	9944	4305	10369	13097	8907	7061	8253	19612	2578	11088	4808	5076	17436	14243	11381	14119	23669	9681	9057	4273	1754	6134	4491	5529	8361	7445	0	13941	5734	17408	5659	10243	5106	9554	14721	13780	8027	0	0	0	32459	57906	0	7458	6006	11230	12603	5557	0	20746	14217	5741	6918	9778	4732	0	16586	24094	18708	5699	9950	7737	4433	2499	2213	3268	7795	5070	6705	4547	7667	0	8464	8432	20144	10576	32848	3878	7712	11083	4207	7443	7102	10019	0	3428	8329	0	18509	18724	0	10349	14160	7515	6381	7828	7960	7094	7648	43151	0	8923	0	4545	15656	Phytochemical	0.59090906	1.0909091	0.09090909
8	C22 H24 O13 N2	525.13513	525.1361	0.21355005	525.13525	6541	7061	6132	6060	4566	2829	991	2606	9789	4812	4060	3408	13969	1339	2896	4200	5593	8783	9751	5361	10903	15215	5462	4477	1021	486	2463	0	2744	3825	3913	3194	5879	3666	8034	2279	4262	3137	5478	5192	14548	3546	0	0	0	11055	30489	0	2247	3748	7016	6734	4525	0	11843	6407	5112	4489	3110	7488	4192	5663	18373	12009	3107	9548	3751	7917	0	0	0	2218	2111	3385	3333	2389	0	2092	5133	3057	2853	6737	1384	1830	5565	0	3505	4256	5167	7088	0	0	7428	14784	8737	0	5112	6127	4197	9884	7520	4971	2834	4437	13085	3081	3851	0	1688	13086	Phytochemical	0.59090906	1.0909091	0.09090909
14	C22 H24 O13 N2	525.13513	525.136	0.20403755	525.1352	128313	132881	141898	125303	158976	86622	47404	62439	206600	249556	104762	52920	297831	55837	80327	65937	34180	190636	183317	147510	226263	360554	91941	73038	26644	28212	30599	37986	47188	37830	48673	44701	70918	36563	312038	42505	76652	74122	41588	145746	168230	61504	0	0	0	314704	515375	0	44547	49624	138859	141232	117358	0	231523	132852	65226	55934	81241	41406	38598	138587	302262	191841	65794	193261	83096	59642	33574	60609	92947	56436	49250	35894	41517	41207	0	55717	111750	157218	86623	318092	32428	62210	170870	87825	85522	79388	76291	68365	31023	75137	103415	297876	278476	0	135257	105437	147610	146227	137247	72703	59681	86255	444205	61293	125351	0	48405	265499	Phytochemical	0.59090906	1.0909091	0.09090909
18	C22 H24 O13 N2	525.13513	525.13605	0.31133828	525.13525	6126	4637	6010	7165	4019	0	3738	3748	6911	4326	2669	4148	11577	2594	6870	4388	3383	8272	7674	0	6195	17513	5787	3880	2365	1685	2596	1923	0	5644	2582	3678	6068	0	5575	2854	5421	5334	4318	8022	5859	2660	0	0	0	18117	26917	0	3240	3139	8461	4993	6145	0	8202	6022	0	3511	4329	2219	4207	7665	10598	11082	2541	7771	5365	2039	2571	1459	0	2793	2002	4870	2601	0	0	3103	4374	9029	2623	20370	0	5564	9235	5452	3404	4731	5114	5672	4613	4019	11144	9792	7630	0	5997	5937	4084	3844	6964	5696	6376	5142	19492	5372	6107	0	2445	14877	Phytochemical	0.59090906	1.0909091	0.09090909
28	C27 H24 O11	525.13916	525.13983	0.17630276	525.1392	5502	4355	4919	3637	7861	3726	1564	0	9335	16844	5261	1290	11954	3981	0	0	0	8952	8758	7869	10489	11142	3390	0	0	9917	0	3744	0	0	1173	0	1592	0	20414	0	1978	1369	0	5398	3522	0	0	0	0	5075	7509	0	0	0	5742	3933	5629	0	8728	6314	3476	1110	0	0	0	2727	15855	7097	2086	9937	1988	0	10182	17944	20110	0	0	0	0	0	0	0	6431	9052	4261	3599	0	4661	10661	3761	5847	1527	2001	3228	2398	2719	0	9983	19092	0	5514	4854	6809	9468	9916	0	0	0	3244	0	7575	0	1296	11225	Phytochemical	0.4074074	0.8888889	0.0
24	C27 H24 O11	525.13916	525.13983	0.14235647	525.1392	14989	14274	13077	14293	28459	11367	2806	0	29151	58356	28960	2010	34875	13366	4063	1775	0	25618	34040	34570	31565	26256	8408	2880	4185	37511	3135	19436	0	0	1259	0	2959	890	68772	1729	4057	4210	1128	20246	17495	3935	0	0	0	19059	26530	0	1447	0	13195	13367	11791	0	29258	20252	7886	5019	3801	2155	3929	15180	36199	20619	5963	20864	5981	2957	33803	58473	58979	1693	0	0	0	1320	0	3115	13606	22420	10498	18222	2617	14656	30834	13754	9751	6592	9618	5791	7444	6518	6036	33791	44199	0	15364	14294	24806	22551	20654	1315	3057	4577	14535	3772	25595	0	3598	31199	Phytochemical	0.4074074	0.8888889	0.0
18	C27 H24 O11	525.13916	525.13995	0.12815866	525.1392	25645	27862	28414	27652	36841	14572	4984	5184	32778	123903	73298	4255	38315	17196	5065	10461	2530	29691	45994	65302	61710	43440	15187	8629	9257	70454	4825	43310	7136	4388	4435	4414	13485	0	131688	0	10915	10022	5785	37744	25075	9287	723	0	0	36535	34585	0	6252	3026	26333	23571	17236	0	35020	30193	13174	9838	7183	5222	12489	24923	45736	22356	13553	33515	16217	3449	60089	84019	93592	5969	2770	3038	3879	0	0	4761	16539	31589	16577	34635	8519	29325	50303	22198	17593	6073	10512	12115	13755	17089	7709	47392	64229	0	30330	21956	30278	33121	27532	7137	5746	9610	23462	6900	29996	0	7735	28808	Phytochemical	0.4074074	0.8888889	0.0
26	C27 H24 O11	525.13916	525.1399	0.11587734	525.1392	7613	8493	8645	8268	15952	5465	0	0	12928	29650	12261	0	22235	5652	0	0	0	15840	13317	12161	16575	21526	0	0	0	14449	2508	7959	0	0	0	0	0	0	40184	0	3315	2970	0	10160	9326	0	0	0	0	11427	13384	0	0	0	6798	6155	8237	0	11960	12974	4550	0	3077	0	0	7491	26274	13548	5088	13982	5366	0	25389	35697	38160	0	0	0	0	0	0	0	10172	14649	5631	8777	0	8865	19259	11355	7793	4043	2671	3529	2425	3924	0	20680	32488	0	10258	7758	13494	15406	12028	0	0	0	9076	1614	11371	0	0	20182	Phytochemical	0.4074074	0.8888889	0.0
14	C27 H24 O11	525.13916	525.13995	0.15794186	525.1392	8627	3801	3561	4571	5266	3000	3591	3035	5119	35022	18112	0	6484	3234	2017	0	0	3734	7182	13838	14015	9749	0	4239	0	16148	2628	13925	0	0	1377	0	1584	2292	31159	2723	0	0	3293	6191	10940	0	0	0	0	0	8915	0	1671	2253	5363	4518	3614	0	2597	4569	2351	0	0	0	0	3773	9068	3979	2708	6169	4535	0	19314	20462	24413	1914	1367	0	2315	0	0	2415	7416	0	3179	9350	2614	6646	5327	4805	3822	0	3942	0	3985	2504	0	8534	9356	0	8051	5764	8273	5487	6201	0	2308	0	0	0	4310	0	1590	5715	Phytochemical	0.4074074	0.8888889	0.0
20	C27 H24 O11	525.13916	525.1399	0.120142095	525.1392	40862	33135	36555	32405	44589	22160	7902	4495	47936	139670	80188	4080	50848	22040	14316	10549	1909	33593	46545	76223	65289	55317	9689	9633	10460	90692	6677	55329	5745	5272	6265	4142	12665	4511	183159	2859	11538	10993	7115	45983	40438	12232	1211	0	0	45765	50482	0	5779	4078	35036	28874	27077	0	31604	31784	13694	11061	9677	6441	6975	31756	73265	33970	20964	34726	19711	8366	71904	101138	104678	4642	2189	2026	4497	3575	0	4023	24825	44984	18980	38737	9465	46362	47332	22908	26467	18682	13265	12620	19549	24898	14282	61425	66473	0	31730	28379	43711	43403	40777	3924	5943	6517	33785	8340	35932	0	9808	51780	Phytochemical	0.4074074	0.8888889	0.0
16	C27 H24 O11	525.13916	525.13995	0.1286519	525.1392	13611	15823	12723	14611	14780	5645	5223	2338	19372	54240	36182	2688	14418	8529	2220	5926	3061	13211	23113	34237	36930	22842	8748	4542	2793	40392	3992	21934	5473	3139	4562	0	3006	4078	79543	0	5966	4556	2641	20501	19095	4640	0	0	0	19041	22610	0	3284	1452	14367	10449	11987	0	14548	11158	7677	6986	6260	2435	0	15716	21441	12272	7674	16429	6184	3271	32936	59029	54259	0	2051	2308	0	2485	0	3384	12854	22799	9178	19664	3577	23139	22066	7409	14018	4548	6637	0	9157	10363	0	24154	34345	0	13953	18679	19231	17047	18177	4004	3243	5841	10957	0	16442	0	5912	23599	Phytochemical	0.4074074	0.8888889	0.0
24	C28 H28 O8 S1	525.1578	525.1577	0.23823121	525.1579	18810	20010	12590	13340	11500	12382	3668	9886	18544	41084	9496	4958	29634	4988	12382	10546	0	23858	19010	25120	33718	29460	8316	6854	7774	19172	0	25822	11016	3804	11406	6238	6190	11992	33164	8488	9448	7806	7582	43158	20581	5792	0	0	0	60746	47364	0	10024	5782	13824	18652	11388	0	23654	10766	6220	13494	7526	4084	12030	15792	22104	17594	5002	15764	6930	7820	36238	39965	37755	10290	9484	6656	7636	7672	0	7806	14490	22805	13478	39466	8612	34800	15864	11522	7038	6042	6728	10040	15296	13310	19762	21277	32599	0	17372	14286	17584	10774	9066	9546	5102	16154	45016	8868	11978	0	5666	19574	Organosulfur	0.2857143	1.0	0.0
12	C24 H28 O13	525.1603	525.1612	0.19923161	525.1604	99728	57874	58536	63306	26706	22814	33665	87378	41942	98649	68773	28941	74602	12038	61570	38862	34261	68894	44561	163016	146824	111833	46304	44184	22019	27629	32988	35706	35447	36786	63888	38316	42772	34116	262172	35678	33575	34998	37742	70631	90281	20042	0	0	0	100903	136827	0	46320	85154	53181	61199	22729	0	102616	26330	21116	46777	51957	45031	37106	48663	115032	62290	17262	33897	23129	50144	35742	35565	47748	36982	34304	40641	25955	34835	0	29225	39992	55507	37526	142784	33123	33530	68432	19709	35449	20162	27152	36371	27504	28827	36358	69443	150882	0	58738	51293	47699	35499	30027	45425	28287	42525	105588	32535	31684	0	27293	90822	Phytochemical	0.5416667	1.1666666	0.0
16	C24 H28 O13	525.1603	525.1611	0.1707926	525.16034	138681	130900	136564	134534	89968	96726	59844	127386	139282	570144	114209	64927	163331	52841	113356	83756	45091	175211	166494	242379	214512	485756	107062	104117	81633	66929	53128	75518	96521	88092	109819	101665	113573	88609	752776	102694	115470	87432	59182	389784	119755	61418	2420	0	0	696336	550016	0	108438	96005	128447	140449	92397	241	184633	86806	61119	105141	126882	48087	131798	124263	182339	116151	49312	115767	95055	57373	69168	134696	98344	110353	99214	94158	56491	96922	0	87628	99208	117951	81596	523014	78369	115959	98831	67466	77301	53740	74848	39280	92141	120512	133331	155323	212321	643	141151	135883	104945	71361	75578	97692	77857	98700	250108	108701	92721	332	76112	168557	Phytochemical	0.5416667	1.1666666	0.0
18	C24 H28 O13	525.1603	525.1611	0.16565719	525.16034	384406	436444	309496	372566	334238	306022	143480	257392	399960	949338	418504	139228	555324	154442	241874	228800	110744	468248	437000	727442	683128	748988	225622	288026	204212	235270	103508	328470	171716	171098	273130	174812	332374	141980	1082148	227360	260532	190088	107136	734278	458152	158472	5330	0	0	1586356	748890	868	257956	209780	309810	358586	248762	0	562736	221306	153658	254658	292396	100986	214410	453100	527368	370580	109474	363302	244740	132110	353600	674146	443848	265468	201326	216584	114918	155520	0	189886	245140	448214	211232	739766	150518	594980	302896	192060	215624	209908	213486	165534	306396	359078	350804	455066	780424	1280	382286	375456	325770	250336	222532	227984	153656	275212	630558	226538	242874	0	178518	517808	Phytochemical	0.5416667	1.1666666	0.0
18	C23 H28 O12 N2	525.1715	525.17236	0.24806704	525.17163	371110	348313	262302	311513	260681	220973	140313	296324	272454	547152	380015	142167	402685	144068	219973	276884	144175	439781	387518	505428	651362	323327	203158	279192	256708	367461	157723	321023	292359	218485	206771	191359	278624	98157	560517	250147	314632	167626	101544	392484	355523	91995	4149	0	0	696797	590162	0	251663	241681	293562	349098	216264	0	252140	275300	148279	214863	302528	149812	246709	282932	323910	235920	126784	262296	201001	117968	246308	596795	382334	257844	121835	248358	97940	119874	0	117125	214811	334409	195993	311868	207604	314927	273474	207602	212563	164870	178050	202984	293460	421518	377123	314375	537587	0	371246	354530	214508	182264	228457	295264	140989	396829	276233	162974	128223	0	169964	399458	Phytochemical	0.5217391	1.2173913	0.08695652
12	C23 H28 O12 N2	525.1715	525.17236	0.103642546	525.1716	45427	49870	47370	50218	21290	22204	27524	58290	34641	57533	36685	30834	39927	7227	39935	39024	41575	38895	53235	68773	69686	108915	52243	61883	33693	6957	24335	14963	59366	44152	52658	52311	69463	41981	92857	43992	61736	43092	39282	71582	52223	27504	0	0	0	94367	84219	0	54647	56471	44566	53936	26994	0	56159	16361	19263	51313	66281	32876	45863	63679	53858	39205	18004	42482	34791	41637	0	22394	15816	56981	42104	46614	31154	39276	0	36616	38589	24694	35849	50169	33010	30761	34173	21542	35539	21199	30630	54977	34885	57186	73029	51204	49265	0	55199	55410	20302	20654	22770	57429	34088	55187	75514	53535	24047	0	30560	57020	Phytochemical	0.5217391	1.2173913	0.08695652
14	C23 H28 O12 N2	525.1715	525.1723	0.10402283	525.1716	63583	59877	48498	47422	29241	31343	41128	73854	41612	72839	30377	33091	50099	10439	50709	54622	27752	57086	46810	73521	62104	117194	48096	59549	42448	7742	31687	18391	56345	46388	51467	59846	67658	49194	108274	46676	61642	41213	27071	75405	40069	24563	0	0	0	95110	58754	0	54302	61567	49312	43749	28338	0	54086	25784	23600	56543	111774	27569	50492	64113	59082	44109	19673	39359	32788	23407	0	20384	13060	56595	49480	56231	25736	51607	0	45008	34889	34114	35469	53299	41464	27557	26471	23549	34612	29545	38402	38806	42928	63120	97942	62659	59396	0	58832	62556	17980	22043	25113	52971	35705	74740	57670	59446	24943	0	31433	52438	Phytochemical	0.5217391	1.2173913	0.08695652
10	C23 H28 O12 N2	525.1715	525.17236	0.12479176	525.1716	38867	32921	34568	35753	18598	14855	22761	38200	24012	45438	23731	23970	28043	5765	23768	35884	24923	24936	31496	41258	45664	65188	24411	40803	14457	4778	20485	14252	32059	36394	28317	33042	43897	30362	59222	26649	46132	26994	31343	49034	41276	16716	0	0	0	56729	57363	0	35562	32009	39565	36375	17080	0	36259	21212	12232	39947	38934	28133	38816	32806	37495	28426	14275	23058	22445	35293	0	10061	12194	34261	27867	31107	22840	32121	0	24842	26964	23026	23806	33459	20037	16893	24254	14848	27495	19627	19903	36564	20968	34150	56172	37194	39154	0	39395	32849	14906	22954	20966	39169	24516	41039	31234	34419	15663	0	21570	31488	Phytochemical	0.5217391	1.2173913	0.08695652
16	C23 H28 O12 N2	525.1715	525.1723	0.15419424	525.1716	42280	35986	29486	36945	20180	26479	22913	46992	29788	46768	14937	17963	48504	7705	38946	37580	16580	42441	40567	46800	37770	59317	30734	43593	34955	6492	24957	15225	40700	35614	38253	42159	53847	34147	69665	35089	52677	29855	17367	50353	25681	20211	0	0	0	61485	40621	0	39196	31687	31822	32742	23983	0	49847	18994	13889	40047	51536	11799	46647	33455	38738	28285	12080	27997	22855	15836	7577	15789	8612	42960	36812	36088	21515	31106	0	29022	22744	18776	27667	39733	23468	27890	19086	14217	26499	22471	23903	0	26764	58537	66765	29519	39647	0	35580	41135	16952	8321	15047	35228	24323	43027	35212	55786	15432	0	25279	40130	Phytochemical	0.5217391	1.2173913	0.08695652
8	C23 H28 O12 N2	525.1715	525.1725	0.1258596	525.1716	18058	20198	16763	21141	7654	8465	11889	13660	14352	25087	14894	14581	21473	3627	13398	19453	16136	16802	18190	21525	23714	41873	14741	18123	4738	1331	9932	5356	13762	13682	13816	16435	16976	16038	29175	15308	21535	10707	23257	25141	28646	10793	0	0	0	26282	33417	0	18190	13775	20795	21940	10341	0	14627	13675	6518	15560	11459	18395	19863	18532	22202	20443	5800	12625	12031	23686	4230	4459	3314	17462	15443	13149	12418	13430	0	11214	15506	13946	11062	11631	7730	8271	16595	6259	13574	9457	12432	20945	0	16251	26440	22303	29841	0	16620	18082	9810	20653	20834	20517	11576	22551	14828	17652	15911	0	9163	21199	Phytochemical	0.5217391	1.2173913	0.08695652
22	C28 H28 O10	525.17554	525.1763	0.10041571	525.1756	56774	51095	51626	52483	67297	35881	12141	15653	72602	168767	122524	12886	71318	42283	20325	23310	8974	75934	60471	126567	127839	57820	29168	21265	21510	199615	15271	100368	12377	8596	14967	15630	21877	15533	208143	13134	27573	20726	12276	86969	69956	15342	0	0	0	78524	54743	0	13997	13934	52298	49912	41976	339	62234	60798	30020	21891	18111	17089	17159	59508	86003	50872	25169	64095	34432	10659	161758	234233	231625	15280	12576	7486	9223	13949	0	15959	47865	38181	33936	52901	16145	64714	74842	46734	37440	20030	23793	21754	36070	35892	27759	65834	75584	0	49072	43988	62640	70861	61813	17146	16860	30534	49218	20551	51561	0	18563	76701	Phytochemical	0.35714287	1.0	0.0
26	C28 H28 O10	525.17554	525.1762	0.07081926	525.17554	17002	15800	13739	11777	22397	6046	2636	0	26174	44395	25066	3421	32658	13313	0	8280	0	22170	24413	34191	35979	18741	7533	8971	0	51093	2129	19993	0	0	3483	0	4484	3090	53796	0	7349	5222	0	24137	22232	0	0	0	0	17970	19918	0	4153	0	16512	12291	13380	0	20256	21007	11030	5514	3169	0	5645	17216	35606	17254	8017	21945	8298	4264	52099	69865	85886	2809	0	0	0	0	0	4416	11625	19521	10750	8698	5347	15971	34151	16895	14750	8283	4547	5956	4142	9443	5599	18475	29865	0	15303	16494	13609	28134	25725	0	0	0	10589	4015	16863	0	4497	27542	Phytochemical	0.35714287	1.0	0.0
16	C28 H28 O10	525.17554	525.17633	0.108557425	525.1756	19213	18766	16977	18016	16830	7168	7275	5071	16736	40970	29961	8686	19220	9213	7668	9709	8793	9112	18718	29427	34943	20207	12699	8542	7870	59895	6466	23268	5621	6847	8477	9362	11395	7183	53893	7490	9220	9014	11151	23917	28870	6139	0	0	0	15755	20126	0	7020	6330	14737	15980	9320	0	16291	15659	8068	12732	7599	10496	17414	19826	19090	11025	6075	10690	7175	11341	42251	63791	76225	8593	7768	4600	9150	9032	0	6731	14608	11762	15083	15784	8150	23020	18944	9637	16315	9834	5263	0	12606	7591	0	15920	19146	0	20546	16207	13863	20217	14022	10692	8062	10264	12249	0	11713	0	7136	16584	Phytochemical	0.35714287	1.0	0.0
28	C28 H28 O10	525.17554	525.1762	0.11811311	525.1756	5453	4671	7390	6789	10072	4230	1974	0	11804	20012	8719	1689	15443	5631	2556	0	0	10033	10958	13390	12075	9068	4731	2555	0	21114	1698	8080	0	0	1838	1360	1647	1928	23558	0	2985	1797	0	7544	8829	0	0	0	0	6544	7923	0	0	0	4764	7340	5778	0	11948	9792	2702	2628	2036	0	2750	5669	13233	8718	3383	12014	3604	0	24139	31044	39818	0	0	0	0	0	0	1986	7396	8184	6024	4499	1665	8000	19030	7819	7474	3529	4746	2832	2856	3237	2681	9431	10573	0	6488	6839	7446	13100	15123	0	0	2605	3103	2881	8402	0	1930	12072	Phytochemical	0.35714287	1.0	0.0
24	C28 H28 O10	525.17554	525.1762	0.08073339	525.17554	26905	29777	28765	31050	40995	20587	6261	7296	46397	95028	58977	5374	60025	26065	12903	8943	5499	38418	44471	79501	72824	34349	19721	11785	10211	98809	4380	50667	7287	3292	8785	7571	13347	6017	118183	8176	10751	10641	6381	47755	45673	10013	0	0	0	36431	38186	0	8118	5775	32674	35464	23640	0	44232	38415	19004	12806	11092	7258	8607	33086	61419	31307	13775	40076	18047	8310	89715	138097	148517	6226	4471	4030	3898	3525	0	8428	29568	23785	21205	28232	6120	32052	56123	24491	28231	15074	11881	9500	12479	14464	12922	38684	45850	0	33604	30143	35203	42231	38870	12911	6486	15512	25515	9596	37434	0	7764	55587	Phytochemical	0.35714287	1.0	0.0
24	C25 H32 O10 S1	525.1789	525.1795	0.4396038	525.17914	8173	14804	10474	8950	4764	5960	2267	2742	10484	20249	4238	3019	7589	2129	12242	3995	4557	10379	7451	37858	16374	10480	3720	12120	3690	5226	0	7870	2605	3792	1749	4034	4609	4290	28266	3972	5364	8204	3783	20978	15920	3201	0	0	0	11626	11471	0	4280	3057	13622	7413	7950	0	3967	3727	4278	5416	9858	4884	3011	7276	11104	3169	0	4277	4643	4225	0	12272	6698	5206	2533	0	2445	3123	0	3073	4877	4471	2798	10988	12192	16434	2160	4459	2524	0	4406	5811	17016	27708	17052	14778	15309	0	13444	5497	4282	2730	0	3435	1342	14784	11499	10890	0	0	7624	16700	Organosulfur	0.4	1.28	0.0
8	C22 H28 O11 N4	525.18274	525.1835	0.21357015	525.18286	4155	5999	6084	6977	1740	1985	3306	5474	4052	2872	2477	3016	4720	0	3685	6826	4125	2362	5751	0	3211	9178	3883	5294	3416	0	2671	0	4146	6082	4895	4803	6158	5595	4021	4796	5921	3906	7415	4228	2393	2669	0	0	0	2609	0	0	5384	3126	5286	6543	3142	0	5131	1776	1191	6689	4143	3812	6890	0	4712	3244	0	4470	3082	5678	0	0	0	5520	4043	4122	4631	3874	0	2762	5155	6959	3036	1491	2274	1808	2601	0	3531	1732	2717	10799	21695	12062	13629	4197	3981	0	4814	5623	2077	2612	2589	5867	4538	4164	0	4996	2493	0	2985	4643	Peptide	0.5	1.2727273	0.18181819
10	C22 H28 O11 N4	525.18274	525.1837	0.21329565	525.18286	4971	4430	3160	3538	2539	2133	4653	5102	1771	0	0	2327	4274	0	4907	6079	3607	3591	4920	3582	2887	10267	6893	6697	4402	0	2064	0	6537	4096	3698	6570	6992	5383	0	5646	6122	4214	4887	0	0	2903	0	0	0	5031	0	0	5842	3262	4239	5432	2761	0	6003	1628	1161	7444	5322	0	0	0	2759	3126	3626	2186	3305	5562	0	0	0	6423	2649	1913	5202	6155	0	5374	4031	6816	3249	2216	3183	0	2135	3544	4750	3511	3312	8757	20427	11105	13989	2362	2577	0	4467	3592	0	2390	0	5910	3135	4774	0	8096	1610	0	5013	2991	Peptide	0.5	1.2727273	0.18181819
12	C25 H32 O12	525.19666	525.19763	0.25284395	525.1968	64292	35665	30077	37769	9018	15332	28010	37666	19350	108832	38586	21599	17887	7760	49356	35405	27484	17921	17463	106042	85136	38246	26711	47467	18510	23769	23341	24240	64066	34449	33671	30145	30118	22375	60082	60686	56508	50814	35879	55394	51756	18132	0	0	0	45025	51097	0	71270	36808	37007	39740	12930	0	54824	15505	11449	35095	34458	21056	22748	27167	42382	19612	11977	13640	15575	34969	26340	31837	36371	26563	30825	66474	27826	68166	0	46144	35426	26023	58124	51186	45286	26325	20795	13342	27058	14330	12029	31706	23548	30868	65548	17164	65710	0	36505	36378	16657	14483	15191	42301	22828	35773	25229	26262	17118	0	23237	41448	Phytochemical	0.48	1.28	0.0
18	C25 H32 O12	525.19666	525.19745	0.15130936	525.1967	233876	199553	208700	195434	135253	130282	119695	239917	173366	497870	191245	97469	213711	74067	185168	168353	86976	214453	230042	396774	306747	265935	182686	197950	191376	134443	93279	151918	229285	187342	210339	204373	219248	209648	557586	210125	217672	154331	87013	311059	125624	101086	4063	0	0	367204	173679	0	201348	182084	211329	206033	122891	359	280251	115976	86127	189219	232034	75069	189010	192733	244777	178917	80298	150657	131162	90440	101854	258343	167769	212784	160627	211796	98797	216734	0	141955	165688	112134	142318	213001	156614	166105	125527	110829	133812	89072	123299	96130	174519	221527	237540	139418	226593	880	204290	192714	140799	91340	94726	185573	121904	224380	186292	160673	108685	507	124368	220432	Phytochemical	0.48	1.28	0.0
14	C25 H32 O12	525.19666	525.1975	0.15498453	525.1967	95178	178094	88061	175768	41060	36513	65514	220992	60104	319066	89992	54173	57900	23654	68446	91794	71306	52103	73186	271816	121261	107929	130764	91185	60687	64233	52391	70249	145126	155636	161598	115855	83515	65433	329426	164812	78274	65715	65296	87804	99758	42641	0	0	0	228430	121478	0	172908	84183	83309	83993	44563	0	160216	34434	29724	98489	115010	61766	116129	136474	66053	54515	28012	59247	87090	62289	55585	85226	69034	158720	159792	175778	65470	151534	0	124964	81821	78152	133004	154446	128810	138378	56358	36676	126892	40452	44928	77802	65273	76543	85028	60364	145432	509	101508	94260	53508	40283	39872	162138	54681	115476	94392	63148	44264	0	136616	116426	Phytochemical	0.48	1.28	0.0
26	C25 H32 O12	525.19666	525.1974	0.38950416	525.19684	4635	6788	4417	6367	0	3956	0	6451	4406	22047	0	0	6147	0	0	0	0	7675	0	13763	12531	8414	0	6607	0	0	0	0	0	0	3955	4204	6741	3056	16899	0	5831	4716	0	8508	0	0	0	0	0	12228	0	0	4510	0	5829	8090	4015	0	8417	0	0	4092	5859	3177	5334	6123	8314	4522	3242	4139	3040	3062	0	0	0	4291	5241	0	0	0	0	0	2392	0	2876	6862	0	0	0	0	3545	3318	0	4459	8909	7709	4399	0	7567	0	3519	0	0	3251	0	0	0	0	8635	2283	0	0	3658	9814	Phytochemical	0.48	1.28	0.0
12	C24 H32 O11 N2	525.2079	525.20874	0.11815068	525.20795	24354	32033	28103	30586	14480	12581	33497	41956	17775	34283	13014	18906	23143	7171	34573	30502	18996	17803	23436	42139	28478	56606	28206	32471	34274	5087	11734	12883	40419	27444	34867	34000	47853	28340	55094	36199	35159	26860	26708	40363	28645	11015	0	0	0	38762	20107	0	40166	27133	29427	28200	16647	0	27710	11968	12598	37898	33791	14020	22399	27432	20642	17309	7065	19498	17397	22815	0	12800	4913	34376	32249	30601	16453	24957	0	25377	22456	0	18664	23967	28718	19032	10032	13401	21779	9607	14646	44326	34426	53653	58953	18297	19341	0	26626	41700	12197	9889	11118	27785	17967	39024	22809	32621	13523	0	24075	21322	Lipid	0.45833334	1.3333334	0.083333336
14	C24 H32 O11 N2	525.2079	525.2087	0.072783664	525.20795	43748	37677	32173	44418	11994	19462	35241	48704	22520	46225	18720	22916	19399	9361	42918	35264	19899	28061	32498	55110	33025	67801	33649	55473	50429	5095	23987	13782	47676	40605	42106	45337	58196	38375	60346	41377	50360	38054	25368	43764	17953	20658	0	0	0	52005	22407	0	39946	35723	35436	27763	20211	0	37648	13879	13267	58183	84602	20131	36800	33736	23859	24126	12755	23690	25000	18882	0	22524	6110	45442	32644	42394	24368	44762	0	0	29019	22693	23726	28464	34472	28384	11895	19574	28332	18477	25339	41160	45199	66152	83411	24667	39989	0	32504	36840	10837	17954	12539	50606	26518	67252	22126	43635	12503	0	33654	29265	Lipid	0.45833334	1.3333334	0.083333336
18	C24 H32 O11 N2	525.2079	525.2087	0.21327582	525.208	21582	15263	21657	18755	11440	16622	17834	27089	16050	25423	9286	9576	15949	4368	25489	19258	8694	21586	24417	28717	11937	30569	20717	19799	34625	3564	11871	7161	30098	20041	22080	32501	33352	24357	29797	23050	32704	20403	6662	25605	8489	12725	677	0	0	22897	8552	0	0	19296	13865	19623	0	0	20571	7784	9076	26752	36462	6265	24241	19685	15544	13271	8964	13095	11329	12417	2982	10276	6770	25966	20581	22596	11312	19783	0	17595	11957	6836	14426	16111	22077	11793	7389	12539	16482	11921	13617	13531	22342	44083	51734	10688	14099	0	23423	18762	8484	5037	5847	26857	16930	27807	16513	24568	5933	0	16400	17002	Lipid	0.45833334	1.3333334	0.083333336
10	C24 H32 O11 N2	525.2079	525.2088	0.17399183	525.208	25426	22404	17840	20984	7409	7184	14682	25590	11405	33600	10627	12340	15574	4999	19403	27616	11776	14643	21910	30419	20751	35388	18163	28916	17417	1638	14952	5581	23924	21360	19894	26537	33336	21867	40953	21636	28370	17831	17541	26349	20750	8536	0	0	0	27184	21666	0	25238	21429	22955	22597	8476	0	20624	6498	7213	25985	22813	17310	18901	14382	17058	11166	4086	12860	14169	20180	0	9762	5974	25080	22510	19609	12719	17202	0	14774	18068	8388	13855	15051	17619	11068	7252	8169	13480	8969	11113	23567	22141	30628	41789	16306	24020	0	20054	22343	6865	8520	7867	27518	14691	28541	0	22832	7923	0	15740	16688	Lipid	0.45833334	1.3333334	0.083333336
28	C29 H32 O9	525.2119	525.2126	0.14243354	525.212	12295	8363	9224	7852	14960	5624	2959	0	12642	21500	15121	2547	22286	5751	3602	7124	0	11568	12158	18101	19472	6947	5479	8881	3362	36595	3572	12896	5044	3704	4822	3244	6525	4169	24926	0	4607	4484	4045	13409	14668	4431	0	0	0	10410	8959	0	4730	4656	9987	9245	9226	0	13912	15791	3315	6857	3114	3575	6082	9771	15193	7520	5699	15472	7222	5583	43173	42098	65340	4089	0	0	0	2443	0	2670	9893	10645	7890	6338	4218	10804	18119	7091	13651	3932	4813	5645	5899	7394	9135	13315	11787	0	9681	9698	8814	18394	19074	4228	2676	4890	5134	5102	10982	0	3430	15161	Phytochemical	0.31034482	1.1034483	0.0
22	C29 H32 O9	525.2119	525.21265	0.09223726	525.212	108242	101557	83713	105687	110253	75009	37838	72304	123941	233508	192665	41610	110332	72942	58742	69561	46254	112278	113190	232769	247895	107351	69333	79922	60614	373519	40920	167662	55576	55138	56658	61632	72357	53900	274270	56425	74878	52640	42764	158599	152277	47790	0	0	0	98351	97480	0	61326	54312	102926	109500	84236	279	118745	111764	55098	74210	56226	47462	74161	114873	134449	94795	57602	114175	70517	54634	294458	415202	442289	56297	47927	40674	34367	56096	0	48193	107441	69897	80947	79784	54239	131010	136611	73765	99927	55050	56847	67666	86024	86565	88119	81612	113128	0	96433	100014	97439	119647	109847	66104	44279	79323	66834	65690	95643	0	49652	123294	Phytochemical	0.31034482	1.1034483	0.0
26	C29 H32 O9	525.2119	525.21265	0.08616444	525.212	31996	27092	26654	27688	38634	22178	6655	17067	43084	54135	56186	10620	50793	22910	15949	19470	10651	33200	38218	55744	80726	26733	21050	19191	14507	104702	7156	51152	11914	10936	13760	8197	16858	10776	73055	12704	19782	10207	10796	43119	46719	14993	0	0	0	31307	30090	0	15292	12840	34121	31155	25671	0	35567	46409	15121	16007	13506	8987	13516	34393	45707	33338	12465	36425	23160	13647	121104	124382	144719	13759	7817	7327	8031	13965	0	9013	34901	22216	25050	22559	13605	38320	48641	25196	27290	15455	16124	12576	16548	17037	29099	31008	31292	0	28879	27535	27732	51897	54975	14788	7506	18616	16325	13296	34263	0	12814	35007	Phytochemical	0.31034482	1.1034483	0.0
18	C29 H32 O9	525.2119	525.21265	0.053218182	525.2119	52190	47501	40451	43110	36604	26462	28364	41904	37502	77130	69337	23138	38197	31312	34688	43766	34470	32208	38444	91151	93000	41436	36103	43170	28096	129025	27823	55100	29944	29713	35770	33215	43247	24765	76219	27512	32936	32173	40377	65564	72953	26518	617	0	0	36040	43750	0	36956	33952	47429	49049	36265	0	46820	40675	24246	39510	19250	31491	46117	39224	52593	37438	22129	45254	30963	36567	98590	133785	171594	26235	21660	28872	33686	36054	0	22217	53111	30580	53524	30911	30431	44714	49724	29316	55440	21912	30296	47980	38004	41194	48499	32559	36278	0	45225	46677	42225	40835	44454	35836	26527	38869	23382	29932	34838	0	39052	39543	Phytochemical	0.31034482	1.1034483	0.0
24	C29 H32 O9	525.2119	525.2126	0.083311394	525.212	68846	62933	73100	71900	82429	46900	22457	38612	82346	160663	132000	26879	112922	54920	39843	47955	24208	82853	95989	164615	154969	66751	48440	46523	37977	255942	20258	125162	33900	35243	36017	29673	44281	31789	198578	34441	49070	30556	25932	111427	102444	31985	0	0	0	80204	67502	0	34673	36185	69585	74582	51426	0	90629	80004	34712	46673	37668	25951	47174	75000	109735	73516	32038	92270	45447	31767	221767	298121	309764	38333	28692	21708	19729	31721	0	25860	76337	51894	57039	54822	29268	92004	101196	50210	68926	35566	40408	45960	50807	55181	58674	65559	74235	0	71975	68160	72637	94663	90404	39107	24769	49496	49178	39989	62295	0	33432	87197	Phytochemical	0.31034482	1.1034483	0.0
6	C23 H32 O10 N4	525.2191	525.2202	0.24713658	525.21924	6515	6187	6429	7586	0	3878	2727	3849	1690	2369	1557	2209	2293	729	3851	2382	3343	2175	2391	0	1079	5732	3594	4254	3629	0	2107	9308	4632	3787	4360	5775	5821	3997	2717	3288	4693	2419	4659	1953	1309	1928	0	0	0	3447	1608	0	5497	2367	5516	5470	1894	0	3057	719	892	5602	3164	1917	3717	0	1673	1486	2037	2401	1918	4702	0	0	0	3630	5175	2335	2309	2363	0	2840	2108	28402	1592	885	1523	0	0	2318	2389	2365	2762	7384	184573	74197	8942	8544	5872	0	6271	6241	420	974	0	5508	2113	3328	0	4847	629	0	2466	2590	Peptide	0.4347826	1.3913044	0.17391305
10	C23 H32 O10 N4	525.2191	525.22	0.27667496	525.21924	5551	5393	3975	3767	1572	1751	2319	5963	0	4176	1926	2759	1740	0	4603	7226	3878	1169	2341	0	1896	5561	3728	5631	5004	0	2021	9890	3450	3748	5718	4503	6319	3110	4660	4651	3897	2745	4999	0	0	0	0	0	0	2893	0	0	5791	4329	4922	6819	1684	0	2524	0	1612	6527	3389	0	0	2049	1676	0	0	1519	2295	1700	0	0	0	5401	2859	3776	1762	3080	0	3868	4609	17656	2590	1996	3346	0	1493	0	3737	0	1537	4157	194580	61784	12476	8492	8042	0	5186	4098	0	0	1102	2868	2503	5561	0	4005	0	0	4531	2579	Peptide	0.4347826	1.3913044	0.17391305
4	C23 H32 O10 N4	525.2191	525.22003	0.3484249	525.2193	1295	1697	2145	846	408	1428	685	1759	0	0	0	830	921	0	807	1523	1624	326	1114	0	0	1662	1356	2194	1370	0	0	0	1726	1408	1625	2104	2235	1204	942	1290	2237	1190	2596	0	0	770	0	0	0	0	0	0	1518	1240	1906	1642	760	0	952	431	396	2199	1051	477	1361	0	708	608	0	698	1116	2247	0	0	0	1053	892	900	0	668	0	1171	1152	9853	1011	0	709	368	0	539	1495	768	711	3640	41168	13516	4116	2434	0	0	1856	2073	0	797	606	1287	1130	1502	0	1250	515	0	628	822	Peptide	0.4347826	1.3913044	0.17391305
8	C23 H32 O10 N4	525.2191	525.2201	0.19071083	525.21924	9342	11051	7222	6667	3088	4774	4121	8853	3547	5644	2733	2198	3748	0	3521	6227	4194	1486	3965	4937	2997	11253	4854	7246	5117	804	2878	14680	6374	3475	5112	7165	8080	4539	8158	3798	9432	4940	5325	3170	3453	3123	0	0	0	2936	1447	0	9380	2617	6540	5841	2258	0	3603	671	2836	8103	3114	1711	4947	4061	2303	2091	0	4102	2894	5578	0	0	0	8596	5026	6419	2630	6760	0	3910	5664	36761	2985	1716	4076	1199	0	0	3321	3195	3267	6370	317662	98769	15773	12454	11260	0	8791	7336	0	1043	0	5141	2380	2535	0	7082	0	0	3050	4415	Peptide	0.4347826	1.3913044	0.17391305
0	C21 H36 O13 N2	525.229	525.23016	0.4870484	525.22925	0	0	2329	0	0	41215	0	2958	0	0	0	0	0	0	0	0	1610	1826	1751	0	0	1416	1552	0	0	0	0	619	3320	0	0	0	3312	2602	826	2205	0	1168	1307	0	0	2039	0	0	0	0	0	0	1966	0	1840	0	1493	0	1212	0	0	2351	0	0	0	0	0	1274	0	2460	2446	2101	0	0	0	1930	3236	0	0	2841	0	1202	0	0	0	0	0	0	0	0	0	1466	1950	1563	0	0	3984	0	0	0	0	0	437	346	0	2600	0	0	0	0	451	0	0	2387	A-Sugar	0.61904764	1.7142857	0.0952381
14	C26 H36 O11	525.23303	525.23395	0.2388509	525.23315	30222	32923	31944	32598	13430	12488	30954	45708	16857	30164	24913	24655	16885	6529	33106	48898	39937	17045	22143	32624	27097	28946	27277	35240	28660	12419	29023	25444	31867	39096	29993	45390	34156	28251	40218	41295	32462	28325	46064	20205	23830	15892	0	0	0	26481	19391	0	41627	40387	38018	31261	15515	0	20784	16915	11287	45572	37881	29818	38995	18701	18045	18307	15352	15430	14183	38484	0	23349	20358	26761	29239	43638	39206	31524	0	25014	39050	33730	29496	20225	32704	16037	14309	12485	30918	10138	13864	54368	61442	33555	44918	22356	14348	0	29252	34885	11331	18800	18104	36178	24191	52993	0	29717	14919	0	30750	13925	Lipid	0.42307693	1.3846154	0.0
26	C26 H36 O11	525.23303	525.23364	0.18511303	525.23315	8025	7532	8401	6011	6135	5792	0	8204	8985	22436	0	0	12710	3851	0	7079	0	11956	12055	14862	12023	6012	5600	8764	0	0	2067	0	8307	0	6120	6595	8966	6654	23369	5821	12682	4842	3506	7650	0	0	0	0	0	6212	0	0	6302	7517	6201	7818	5550	0	11335	0	3565	9058	5759	0	7946	0	8876	5465	2774	8520	3676	3378	0	13834	0	5714	7701	0	0	4966	0	3721	6320	0	4520	0	5588	0	5595	0	4570	0	3790	4334	9275	10359	8000	0	0	0	9837	0	2799	6956	0	8509	5222	7118	0	6154	0	0	4820	12303	Lipid	0.42307693	1.3846154	0.0
16	C26 H36 O11	525.23303	525.2338	0.09916085	525.2331	73294	76166	60725	69753	33033	34887	61941	92363	57890	95050	46100	59880	49670	16941	74141	93896	70314	48670	62574	93195	74542	58391	78290	85700	69828	40283	54050	48206	81192	74958	73959	85045	88169	52581	102924	102629	89605	61813	89624	59825	47152	36981	989	0	0	65733	50784	0	87516	75827	61859	72892	38705	0	70584	45692	35327	80893	74605	46016	90417	41880	62781	51937	28400	42712	39585	76711	39087	62650	55714	75193	77532	95971	70742	72853	0	58114	79796	39103	60332	40040	66330	43851	49894	33416	76362	33506	44674	75301	85348	66094	98043	39354	49856	0	70025	75743	33176	45888	47103	88602	46423	84243	46720	58607	36840	0	64436	53387	Lipid	0.42307693	1.3846154	0.0
22	C26 H36 O11	525.23303	525.23376	0.100130975	525.2331	847781	533996	709072	782634	652946	480012	473305	811642	413968	1350552	735253	337276	473163	47831	663415	219685	357155	924461	794876	1329128	940354	636590	583609	717012	753403	704021	320719	530179	869481	471455	645490	283518	688395	744170	1148856	651671	833132	436017	267026	1092652	597774	630695	0	0	0	1031519	568726	0	606495	564273	681673	566689	332560	0	889761	444104	256520	571661	596992	356458	784735	854514	616339	451103	112825	562684	511506	439021	531846	981203	927283	765371	484877	532229	464138	516112	0	505823	550759	559426	577558	366961	564208	596522	537346	404713	397069	503579	577875	492867	1139551	1293718	1062807	482919	664235	0	736143	606781	440088	216530	543943	1108018	422235	832909	696185	861003	334322	0	450232	638460	Lipid	0.42307693	1.3846154	0.0
24	C26 H36 O11	525.23303	525.23376	0.11224574	525.2331	53581	33026	44337	38482	38042	34159	17248	51184	38359	94181	23691	15540	55461	18631	35606	31179	10348	57959	68473	80796	65161	43177	35759	39723	40499	28186	10382	29756	44642	47948	42094	49910	40865	63406	102031	31753	69254	25770	16964	53832	36000	22378	0	0	0	52480	19242	0	44217	30920	36072	30285	26508	0	64843	24177	20326	34409	52024	11684	42453	32507	54870	38470	15348	40576	31518	14624	17659	64669	30079	52605	43324	45671	11918	36143	0	34020	38116	24106	23299	20935	21554	30207	24125	16765	27740	20519	31628	18533	50135	39175	56965	31070	33768	0	36532	38888	23506	17926	18752	25543	22297	38954	21375	32362	22216	0	19952	62350	Lipid	0.42307693	1.3846154	0.0
24	C30 H36 O8	525.2483	525.24896	0.09367766	525.24835	136084	146931	137574	145263	154255	90164	62817	116560	141490	204166	223956	72157	170402	84288	94737	134333	87489	125296	166191	281672	234417	125016	115708	137202	101502	451733	59812	207141	97137	99428	101127	100123	126595	83924	273792	106885	132407	83533	88810	186833	190197	87267	2144	0	0	125834	110154	0	103103	94398	140245	140296	123036	0	166018	145835	71254	116426	95135	65674	141079	138973	162514	127522	60972	148539	118379	100462	355998	445599	503496	90663	92936	87681	62291	91487	0	81586	157122	105517	110384	78891	85232	157332	162500	98992	162190	73103	97830	117895	124258	131828	150547	120635	127877	0	142542	141419	113771	163369	179182	136757	66607	128688	87496	118530	125226	0	106058	143390	Phytochemical	0.26666668	1.2	0.0
26	C30 H36 O8	525.2483	525.249	0.07315995	525.24835	71101	66806	60019	64309	77063	41831	24784	62459	74662	95437	98953	30339	104313	56743	58839	64781	46431	68224	92233	136317	128980	72047	55008	67306	49069	215749	29757	98986	54257	46203	40968	46220	55145	39241	120132	52048	60325	42109	38493	101951	90042	45736	0	0	0	64172	59012	0	49735	49186	72315	73531	57202	0	88727	95650	44062	53343	45726	27980	65038	61883	79753	64887	29341	74531	56832	42555	211547	214256	240663	46704	41632	42675	31883	38972	0	40409	79624	81007	58554	49648	37519	81580	96899	49319	82864	39510	41681	47176	51140	51389	78183	100340	77718	0	69982	73824	53379	106304	111116	63185	30323	64051	43815	51045	77189	0	50811	74674	Phytochemical	0.26666668	1.2	0.0
20	C30 H36 O8	525.2483	525.249	0.044663146	525.2483	84048	86825	85167	80288	72428	44106	62844	69125	72021	89885	84648	56734	80322	53046	72344	101083	88444	55900	84635	130239	117636	76012	73142	96278	66017	197357	62945	69708	70399	72342	61996	63385	87193	51701	112624	67228	74923	69517	96794	90101	119955	48698	1074	0	0	52884	62811	0	74531	66665	83102	86598	61780	308	77920	73632	52108	80604	62063	71799	76732	56395	81835	65869	45724	68581	50698	105136	144449	186699	229793	51316	58424	66790	85244	65729	0	45562	133487	64408	87147	38151	79008	102770	95383	54802	129097	48847	52034	127526	78359	78381	103701	66338	70799	0	87339	88111	64145	94214	89713	76707	51612	85429	39448	80975	66028	0	78661	67545	Phytochemical	0.26666668	1.2	0.0
28	C30 H36 O8	525.2483	525.249	0.057834912	525.24835	12673	14924	13334	14704	18513	5980	6220	12741	15441	21438	18298	4058	26331	10652	7661	11533	10905	12787	19950	22813	19290	9389	11803	14424	10522	54318	4973	21452	9760	9217	6946	8504	11636	6983	26463	8902	10195	7498	7769	17286	19123	8710	0	0	0	10513	12966	0	8412	8942	16035	13995	13153	0	17708	24146	8599	11724	8042	4282	12837	9853	18856	12113	5678	21685	10711	10496	51286	49748	70930	7889	6271	6672	5829	8887	0	6235	19111	15188	13481	6547	8282	16844	22804	11437	18578	6390	6282	12365	12561	11652	12692	13939	7493	0	12454	12940	10990	37479	34910	13656	5898	12655	9367	10941	16360	0	8264	15552	Phytochemical	0.26666668	1.2	0.0
18	C30 H36 O8	525.2483	525.249	0.058940936	525.24835	37672	36087	38566	31061	24488	9880	28275	42009	25273	21389	28238	25960	25273	14827	28902	37070	42975	12411	32792	34991	33085	28248	28735	42316	24561	47105	32376	25044	30834	31966	25626	31391	28565	33049	34399	34605	36105	30112	52629	30708	42673	18043	428	0	0	22514	24219	0	33187	31218	32378	29315	20357	0	24965	25662	19434	38269	18456	31601	28798	19695	28186	20145	16568	23832	19565	57938	41368	49659	78083	19028	14566	30030	42587	29175	0	15764	55117	22431	46132	17849	29011	24107	30966	15770	54257	15742	16275	63143	26946	30196	38951	16771	32269	0	30668	28262	20372	37895	30367	29533	21961	36232	12190	32510	18180	0	37341	16871	Phytochemical	0.26666668	1.2	0.0
22	C30 H36 O8	525.2483	525.249	0.07853921	525.24835	163232	146561	128676	134350	150083	75171	81882	123731	131912	202489	187219	74761	127540	94908	110364	144763	113924	122495	142059	233265	228392	129661	109102	136346	112255	401827	81487	181672	114843	112201	93203	121128	132024	90158	215838	112151	128592	94497	118932	181133	195153	86366	0	0	0	102867	122088	0	109999	110975	143300	143139	150402	0	145104	144946	82300	132414	96611	96450	144903	124997	135572	119484	74990	141493	107907	143279	319015	422831	461204	84003	81323	91680	95288	104467	0	85191	187418	99697	140041	86213	103792	150659	164456	92980	205491	78268	93383	155811	136397	146684	169366	119309	135001	0	133218	148154	111891	160380	161933	145108	84880	136789	88032	120103	124431	0	114895	138097	Phytochemical	0.26666668	1.2	0.0
10	C24 H36 O9 N4	525.2555	525.2561	0.32598504	525.2557	3713	2027	3250	2187	0	2364	0	0	0	0	0	0	0	0	0	1907	0	0	0	0	0	0	0	0	1701	0	0	5742	1630	1381	0	1748	1743	0	1848	1130	1171	684	2550	0	0	1001	0	0	0	0	0	0	1177	0	0	2936	0	0	0	0	0	1523	0	0	0	0	0	0	0	0	0	0	0	0	0	1701	0	1483	1336	1519	0	0	0	13809	0	0	0	0	0	0	1231	0	1247	2446	211520	64020	2972	5538	3122	0	2987	2534	0	0	0	0	788	0	0	0	0	0	845	0	Peptide	0.375	1.5	0.16666667
8	C24 H36 O9 N4	525.2555	525.2564	0.2923336	525.2557	4913	3353	2670	3269	0	7989	0	1945	944	0	0	825	939	0	0	0	896	0	902	0	0	0	1178	2372	3196	0	0	19130	1118	1496	1796	1867	2661	1753	0	0	3015	1527	0	0	0	0	0	0	0	0	0	0	2465	0	5202	2581	604	0	0	0	705	2277	0	0	0	0	0	0	0	1134	638	0	0	0	0	0	1584	1480	978	1655	0	823	1464	81888	737	0	644	0	0	0	1535	0	946	1415	331330	125740	3375	9823	3552	0	5471	3573	0	0	0	0	1515	2832	0	1848	0	0	1175	945	Peptide	0.375	1.5	0.16666667
6	C24 H36 O9 N4	525.2555	525.2564	0.22876552	525.2556	1725	3372	2425	2569	0	8575	812	1368	554	0	0	0	772	0	1430	1174	1309	741	755	0	0	0	2368	1380	1985	0	590	18403	1423	806	2017	2150	2871	0	0	1853	1601	976	1076	0	0	868	0	0	0	0	0	0	0	858	2329	2494	801	0	874	0	0	1816	852	0	1412	0	0	0	922	0	0	0	0	0	0	1324	935	1836	0	896	0	1084	1444	44272	0	0	645	0	0	0	1422	590	938	1657	124484	55788	6328	4274	0	0	3083	2899	0	0	0	2929	1278	0	0	1252	0	0	1043	0	Peptide	0.375	1.5	0.16666667
2	C22 H40 O12 N2	525.2654	525.2665	0.47124577	525.2656	1020	1057	1043	714	0	0	930	1591	426	0	0	615	1001	0	490	834	679	996	486	0	0	473	1132	936	705	0	0	0	1184	1965	20294	830	2022	1770	594	1737	3027	894	1250	0	0	0	0	0	0	0	0	0	10995	996	842	817	341	0	840	0	0	3121	0	0	1293	0	425	794	0	1186	800	696	0	0	0	2579	1634	796	0	988	0	751	907	2513	584	0	0	0	239	396	967	534	444	1856	2500	0	899	0	0	0	883	832	0	0	316	1748	602	240	0	1228	238	0	705	820	Lipid	0.54545456	1.8181819	0.09090909
22	C27 H40 O10	525.2694	525.2701	-0.003789297	525.2694	70770	76991	67732	78211	52646	54551	64175	85609	70062	105224	44240	37562	67377	34434	83136	64278	37749	80362	103899	131237	73244	70245	63078	75557	77297	36826	51688	60411	103214	76079	78038	94988	111451	70287	139936	94773	110265	63208	44622	67271	26887	47411	0	0	0	61379	31004	0	91209	70317	69414	71955	53704	373	118152	59204	35679	87904	88179	30713	79100	43711	78151	70285	34195	65420	52257	40012	25237	81324	32865	72618	71844	84573	43790	69746	0	60444	67626	27446	54020	32571	67712	35428	67440	54213	61569	39385	55457	40625	97124	122170	94975	31458	50791	0	70952	82305	40847	55517	53744	98382	46740	84148	40060	72333	43702	0	51931	87578	Lipid	0.37037036	1.4814814	0.0
26	C27 H40 O10	525.2694	525.2701	0.003473918	525.2694	9379	8999	9911	12692	8676	7485	7247	12807	13811	19647	5302	3590	15438	4698	10356	12494	0	16874	22983	20209	17849	10229	8586	10406	13912	0	5543	7348	14299	13266	13587	9069	18512	8734	29271	15251	24368	8202	4600	10149	0	6975	0	0	0	9237	0	0	16922	6673	9812	11450	7094	0	24099	9781	3909	11399	15179	3305	10891	4895	16246	11116	3336	11513	7524	4320	0	17035	6071	10064	14562	16057	6354	11855	0	10390	7879	0	3326	4556	10702	9243	9950	6358	7737	3933	6723	3453	21781	19532	15635	6363	8456	0	9570	11968	6043	7206	5853	16570	6711	11750	0	10663	4636	0	4044	18804	Lipid	0.37037036	1.4814814	0.0
20	C27 H40 O10	525.2694	525.27014	0.030477477	525.2695	53472	50541	44931	50873	36541	29486	57096	66576	44073	60306	29299	45028	52606	23371	55269	64495	46386	50706	72889	59062	59348	43378	47659	56319	57435	23674	63712	37546	71574	74882	54718	70208	76797	55385	68144	67683	84882	46505	52401	43753	22551	36619	1229	0	0	40177	25355	0	74069	52256	56231	49459	38615	0	75134	47687	32388	73939	58243	25481	51119	26276	59516	49851	21859	47083	37760	47015	22079	47313	33066	47499	63342	77544	64849	59744	0	48218	68154	19710	44979	20871	56691	30883	47823	32322	58300	26071	39160	41331	68319	66069	74545	25224	36797	0	51184	56695	33915	43844	45917	78226	42215	74047	25668	57379	36306	0	47186	60753	Lipid	0.37037036	1.4814814	0.0
24	C27 H40 O10	525.2694	525.2701	-0.002679483	525.2694	51375	41668	47083	48843	30337	34260	39458	59806	46709	93613	26875	20799	65439	26670	51892	39011	15541	69725	82611	82560	49617	53296	46092	54435	54206	22648	28097	36226	68043	47126	57761	49976	69858	48279	121364	54881	88897	36818	18545	49472	9263	25249	0	0	0	48885	11819	0	58292	42830	46144	43862	36168	0	88527	37420	16715	56715	61148	10693	54459	30139	61944	53185	21031	55125	38050	19560	15778	57649	19691	54640	50833	58329	24559	44739	0	40018	45627	13107	32580	25292	45865	29067	38951	31697	40827	21714	35082	20287	74620	79815	72932	19895	42012	0	43554	49700	22599	31434	27628	55483	26921	64296	26007	49933	27885	0	30860	70137	Lipid	0.37037036	1.4814814	0.0
18	C27 H40 O10	525.2694	525.2702	0.07630908	525.2695	34388	34100	23138	31104	15573	12324	30140	39169	17123	13607	14114	25888	22472	9224	30993	38302	35969	20026	22170	25607	12230	16582	27154	32993	23141	13923	26872	14906	44814	34224	36643	50864	42607	23525	20193	47341	36142	28123	45271	12733	8807	13869	275	0	0	13715	16485	0	42662	36080	24342	23519	20730	0	29335	17828	16578	31568	21843	21281	32718	9887	22438	25868	13251	19172	20375	35276	9485	20903	13162	24019	33219	32448	41938	36372	0	26138	33827	13614	21525	11822	28143	13823	25409	17894	27469	12826	18228	29691	27519	27509	41011	11187	10647	0	24804	27010	13174	23164	22817	48257	18978	27132	6796	23761	17974	0	31950	16748	Lipid	0.37037036	1.4814814	0.0
12	C22 H45 O10 S1 Na1	525.2704	525.27136	0.36824808	525.27057	0	0	0	0	0	3984	0	3744	0	0	0	0	0	0	0	5442	6864	0	0	0	3825	0	0	0	3258	0	5064	0	5133	8361	5958	7821	5409	0	0	6252	0	5043	10509	0	0	4191	0	0	0	4050	0	0	5559	3165	5727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10443	5451	6642	0	938	6840	76974	0	0	3888	0	0	0	0	0	3438	0	36765	7356	7401	0	0	0	0	7416	0	0	0	0	3666	0	0	0	0	0	3384	0	Organosulfur	0.45454547	2.0454545	0.0
20	C31 H40 O7	525.28467	525.2854	0.054663602	525.2847	21557	21397	19987	23061	17475	8627	23196	27088	17457	11823	12445	18650	11789	12062	22277	28036	52045	6680	18760	20835	15225	19766	20672	20698	22914	25888	26360	14053	21309	23381	23908	19476	24849	8165	16920	23373	27425	23828	41183	11026	28544	15701	0	0	0	8808	14334	0	24616	22156	18536	18082	15201	0	17439	21915	19987	26067	15241	25603	23491	12510	18358	15356	12101	11666	13015	52968	22070	25922	34781	11889	12947	18845	41272	22073	0	16138	33547	15906	27963	13234	23967	12854	24379	13040	43310	11918	13928	45204	19130	20684	32280	14201	14547	0	22692	22039	12751	28569	26861	28569	23761	21762	8590	21715	17781	0	29492	13649	Phytochemical	0.22580644	1.2903225	0.0
18	C31 H40 O7	525.28467	525.28546	0.17823243	525.2848	6373	3637	4896	8234	1822	0	6508	6956	1104	2745	3179	3081	1519	1521	3993	5071	16055	0	3308	0	3464	2399	4076	2890	6272	4429	8844	4189	0	4859	5412	4757	9794	0	0	6062	5761	8516	14342	2524	2710	1194	0	0	0	0	1662	0	2119	3942	2318	4830	1251	0	3102	2340	2634	2954	5720	5801	3055	1318	1981	2234	4928	0	4334	22731	1704	2607	5244	2648	2118	5055	12584	6303	0	4572	9523	3969	8598	2798	2912	1352	5104	2263	6464	1355	4848	12287	8598	3775	8597	1795	1822	0	2175	3761	3478	5206	4452	6153	3379	3626	1353	4024	2964	0	7914	0	Phytochemical	0.22580644	1.2903225	0.0
28	C31 H40 O7	525.28467	525.2854	0.03693025	525.2847	20174	19436	19091	17950	21182	11541	18063	25393	22502	13573	22441	10672	22983	12910	16799	23695	18486	16405	28104	24484	23534	24488	15799	18435	22358	53790	17591	24647	21290	25867	20291	20137	28842	12545	22749	25534	25581	14459	14642	20558	20993	12352	0	0	0	13815	9470	0	20146	26149	19851	19416	15088	0	30555	27384	11599	24632	17995	9127	21782	13583	15344	20121	7982	19489	18376	22256	44495	39573	45583	11884	12942	17546	9451	16402	0	12031	24089	19266	16019	11029	19304	23526	31744	15124	30781	12164	12304	18205	20712	22508	22381	20438	15182	0	19459	21161	14619	42435	45406	28730	11489	25313	10717	22823	28002	0	16116	14342	Phytochemical	0.22580644	1.2903225	0.0
22	C31 H40 O7	525.28467	525.28534	0.024929587	525.28467	61178	68157	60586	60223	54392	34115	62226	62460	65120	54890	73148	47816	38750	36755	66745	87698	99005	39304	66691	66509	72667	57331	54662	61314	61515	121492	58741	65621	58196	73153	44785	68205	71169	42083	71870	66418	64906	63062	100012	54837	72872	41535	0	0	0	39863	46349	0	67837	60715	64328	61093	45442	0	76589	57753	49255	79125	54751	60625	69906	42711	44797	45958	40309	50870	43784	110457	90095	110045	139426	35613	40222	60694	73114	53872	0	42917	94401	40394	68303	37027	67163	55617	78335	52155	105031	39196	47139	90712	71481	69290	76038	46595	55764	0	65998	67118	54697	83460	74409	85384	44419	71269	33764	65182	69372	0	71740	47364	Phytochemical	0.22580644	1.2903225	0.0
24	C31 H40 O7	525.28467	525.28534	0.075802706	525.2847	119575	116872	111391	116384	102279	67407	76908	104146	101661	106604	150433	61928	106830	69177	98226	130876	110354	87849	146347	166450	144673	87881	87997	104293	86933	267657	83829	143962	104388	107790	92413	102876	124878	80541	135281	115780	138118	86854	125362	129855	125975	61348	2235	0	0	83473	75119	0	113105	104570	105226	118047	95065	0	130443	114107	65788	126382	94351	69698	116893	88259	101687	94889	60106	92393	79401	127559	198541	230377	245864	71735	77624	92700	84643	90038	0	71300	142618	81439	106937	60022	94218	104191	133576	92342	139163	65348	83354	112492	109433	113104	151072	83725	94940	0	108985	116279	83922	128021	139054	138495	65825	119635	58295	103364	95017	0	98049	99230	Phytochemical	0.22580644	1.2903225	0.0
26	C31 H40 O7	525.28467	525.2854	0.07581034	525.2847	88538	91747	84373	87591	93391	50982	56437	116837	88060	81862	120570	54429	99002	65051	81731	104030	82522	76419	123166	162524	129692	77354	79114	97625	107047	247386	64840	127075	94704	107369	80553	83501	107191	67685	116193	101293	108049	73621	75765	114878	105858	64247	0	0	0	84025	71135	0	83272	101393	89715	85624	83810	0	127959	119519	61309	93960	83434	50576	103650	74310	87238	88830	46034	80879	76300	90791	215839	196548	189162	61969	66002	100034	57569	76195	0	61969	104620	76031	75365	53563	87574	101887	118177	87289	102794	55527	68735	77369	82540	93222	127166	81656	76959	0	92034	96039	66044	127709	143089	126991	53324	117549	56101	80112	83950	0	81075	79504	Phytochemical	0.22580644	1.2903225	0.0
6	C32 H44 O4 S1	525.3033	525.30365	-0.18803169	525.3032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2832	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35484	0	0	0	0	0	0	0	0	0	0	29520	4148	0	1189	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.125	1.375	0.0
4	C32 H44 O4 S1	525.3033	525.30414	-0.29239467	525.30316	0	0	0	0	0	2486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56013	0	0	0	0	0	0	0	0	0	0	12545	2967	0	803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.125	1.375	0.0
24	C28 H44 O9	525.3058	525.30646	-0.002719957	525.3058	21561	14721	15570	18768	16704	9455	40267	18991	15931	10279	7237	6801	22467	12797	15257	22254	10814	48916	30555	17659	9501	11786	12257	17088	14229	7307	28338	11349	25763	18001	20766	23988	30326	18692	15699	26694	24452	14161	14473	7309	4937	9380	0	0	0	8406	3079	0	24126	13897	22496	18459	12515	0	27164	18436	7131	22035	19841	5177	16682	5327	19481	17644	8450	17966	17281	11814	3173	12788	4942	18328	19370	22201	12496	19901	0	15218	13205	7190	9390	7098	33327	16210	18733	14535	17042	5730	13404	11259	29901	24270	21854	4936	6785	0	18300	14401	7383	12259	16062	23685	10592	23875	12002	19250	12060	0	10946	21143	Lipid	0.32142857	1.5714285	0.0
22	C28 H44 O9	525.3058	525.3065	0.006860646	525.3058	11661	9747	11374	6742	14723	9646	24235	8515	10313	4048	6303	7413	12550	6776	8941	17573	9822	10321	16247	7559	3619	4615	8116	8891	12343	2638	22372	5542	18304	18632	12618	19493	15023	11829	3598	17675	21303	10802	12024	5673	4518	7581	0	0	0	2379	4095	0	15475	12858	11283	10870	7788	0	15425	10128	5595	18523	7608	4515	14443	2541	10241	7310	5070	11973	10026	13907	1871	0	2175	7616	13431	17584	13688	14859	0	9223	11719	2841	8124	2522	26452	11045	8701	6759	12678	5076	12203	6080	12696	16109	12353	3803	3802	0	13745	11917	6579	11286	17142	19832	9389	13702	3712	9264	11787	0	8848	15017	Lipid	0.32142857	1.5714285	0.0
26	C28 H44 O9	525.3058	525.3064	1.21302E-4	525.3058	9828	5076	15678	7824	10143	5587	20743	14970	11885	5699	4361	5230	13780	8899	10116	0	0	15190	23077	13479	6138	6884	0	5383	10838	0	14626	12066	18233	13084	11768	8941	21070	12917	13232	12279	22481	8550	6707	8338	0	8734	0	0	0	0	0	0	15351	0	12005	10768	8000	0	12812	8375	3860	13790	15397	3470	14891	4673	12894	8308	4852	12101	10767	5486	0	5293	2809	8601	11499	13208	0	11978	0	9005	7997	0	4453	3889	18936	7157	8629	7083	8142	3941	8060	6516	20265	23546	15663	4713	0	0	9830	11142	4239	8486	7924	20851	7831	16533	11324	8955	8377	0	8088	11062	Lipid	0.32142857	1.5714285	0.0
24	C32 H44 O6	525.32104	525.3217	0.0350999	525.3211	31294	23606	29305	29618	15535	14185	27812	25493	25131	9845	22912	22159	11987	15441	23961	58333	75926	10014	34534	16869	15219	12631	17225	23247	28827	29531	34245	22894	38940	35850	22686	39644	35059	18075	10035	35798	39142	22086	82848	14938	25548	24402	0	0	0	12024	12744	0	34189	27387	27767	26392	15944	0	36919	34440	19457	67229	17069	23076	35334	11859	14773	18559	17562	14878	22074	87074	25749	17883	30620	10776	24564	28736	40367	36473	0	20824	33918	15832	22678	12090	22131	14735	29715	33081	41041	16702	22887	45948	28607	30195	25763	14450	16991	0	28171	27726	18061	51152	59416	44186	17945	29482	7164	44943	25237	0	35637	9533	Lipid	0.1875	1.375	0.0
26	C32 H44 O6	525.32104	525.3218	0.01165522	525.32104	41724	36537	35370	30095	26714	18506	32705	41616	39148	16094	44132	27133	24488	27256	42787	68891	69235	16575	56143	32987	27789	23757	27906	32474	44551	64705	47755	47012	63674	45185	37222	44906	47802	29410	22765	57215	52595	39043	67291	31943	40019	35893	0	0	0	23242	25795	0	41182	35933	37393	35085	30038	0	48452	58925	31670	70234	32797	29661	51267	21796	26452	34260	17905	27195	35198	81201	58638	44489	50334	23104	38359	47038	45568	38104	0	28461	55148	29825	32730	22483	37890	39420	57553	48396	68230	24344	30541	60300	32952	37406	49054	27688	21807	0	34000	33309	26073	75713	80620	65787	25097	37032	21096	52579	34759	0	43713	20258	Lipid	0.1875	1.375	0.0
22	C32 H44 O6	525.32104	525.3217	-8.77207E-4	525.32104	7390	9231	6156	7734	3689	1454	12059	3528	12626	0	5362	5720	0	0	7576	16932	37911	0	4423	3975	0	1367	6606	3399	9449	4445	12598	3291	4701	8176	5187	7944	6518	0	3280	12384	6674	6174	40267	0	2825	5176	0	0	0	0	2177	0	6554	4631	5631	8429	2432	0	7179	10165	5486	14506	2926	8234	6939	1710	3282	4106	6745	0	5256	49585	2674	0	7591	0	7219	7716	16686	7929	0	6945	13108	4954	8563	1498	6804	2629	8902	4998	19219	1891	3475	24154	7227	5560	8131	5468	0	0	4752	5291	5987	16484	17457	11680	4693	7386	1641	10784	6696	0	9512	0	Lipid	0.1875	1.375	0.0
28	C32 H44 O6	525.32104	525.3218	0.04317859	525.3211	14075	12677	14276	12761	9274	7441	18134	16899	13383	4906	13770	9313	12746	8909	11419	16043	18709	5876	20975	15049	10333	8087	10795	10428	23244	28986	19927	19544	23913	19190	12137	19469	30421	11662	8825	22969	22197	14458	20701	10305	10734	14753	0	0	0	8006	5678	0	15883	13422	14025	13583	11156	0	16644	23907	11112	22547	15586	6803	20740	7727	7637	11177	7899	12947	11225	26352	20367	16459	13664	7255	11578	19727	10158	17835	0	10921	18606	18100	10767	8092	14243	15645	27032	12331	28521	4623	10154	21689	13693	14741	15394	14379	6103	0	13691	14842	10558	41015	46373	29152	9443	21091	8465	20205	17032	0	14436	5527	Lipid	0.1875	1.375	0.0
26	C29 H48 O8	525.3422	525.3426	-0.008988794	525.34216	4430	2418	3088	3811	0	0	49461	5955	2166	0	0	8964	0	2493	0	7684	5445	0	0	0	0	0	0	0	0	0	41951	3748	17389	26062	8802	11746	5445	21645	2221	12281	5546	0	6740	0	0	0	0	0	0	0	0	0	30071	12388	6479	6507	0	0	0	0	0	8731	0	5232	5851	0	1760	0	7601	2248	6582	4428	0	0	0	18482	18288	13881	12350	11625	0	5687	2094	0	0	0	10404	5203	0	0	2863	0	0	1881	8083	4868	0	0	0	0	4264	0	0	2839	0	6832	7427	33891	0	0	0	0	0	0	Lipid	0.27586207	1.6551725	0.0
26	C33 H48 O5	525.3574	525.35785	0.008250519	525.3575	3612	3797	3856	3619	0	0	6782	0	4837	0	0	3223	0	2334	0	7812	11018	0	5910	0	0	0	0	0	7170	0	8310	3219	0	8062	2773	4348	3222	0	0	7456	3700	5236	17622	0	0	0	0	0	0	0	0	0	5206	0	2746	4680	0	0	0	7232	3165	5238	0	3910	5159	0	0	0	2275	0	3002	20240	0	0	0	0	0	0	0	9031	0	2814	8508	0	4748	0	4722	0	6473	0	15813	0	0	24437	2768	4084	4818	0	0	0	3367	0	3327	17158	22342	6841	0	0	0	1480	6501	0	7594	0	Lipid	0.15151516	1.4545455	0.0
26	C30 H52 O7	525.3786	525.37885	0.001408284	525.3786	1940	0	3825	3232	0	0	22323	0	0	0	0	0	0	3637	0	6910	0	0	0	0	0	9028	27121	0	0	0	21366	1974	0	0	0	0	2523	0	0	0	2142	0	0	0	0	0	0	0	0	0	0	0	1922	0	3611	2728	0	0	0	0	0	8397	0	0	6460	0	0	0	3703	0	0	1924	0	0	0	0	0	9104	0	0	0	0	11225	0	17364	0	0	0	0	0	7283	0	0	58793	4880	2150	54346	0	0	0	2115	0	0	0	0	0	0	0	0	10951	0	0	9219	0	Lipid	0.23333333	1.7333333	0.0
22	C21 H19 O15 N1	526.08276	526.0837	0.18130495	526.0828	2543	0	2453	2487	6359	3849	0	0	8985	0	1575	0	17794	0	0	0	1468	6228	7831	2272	4118	4577	2076	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1859	2016	0	0	0	7198	20572	0	0	0	0	2332	2973	0	7142	12483	3030	0	0	0	0	3968	13992	8967	2515	7525	3149	0	0	0	0	0	0	0	0	0	246	0	0	7911	1590	8185	0	0	11267	2433	0	1275	2250	0	0	0	0	10848	6576	0	0	4702	9460	8902	10438	0	0	0	20499	0	10483	0	0	19003	Phytochemical	0.71428573	0.9047619	0.04761905
28	C21 H19 O15 N1	526.08276	526.08356	0.20803888	526.0828	3376	2423	6631	2916	10932	5177	0	0	10523	1846	1621	0	24224	2574	0	0	0	9294	9093	0	8297	7282	2913	2156	0	0	0	0	0	0	0	0	0	0	3754	0	0	0	0	1572	3983	0	0	0	0	4877	27520	0	0	0	4753	3769	4557	0	11342	7385	2033	0	1291	0	0	3988	20432	9876	1822	8605	1822	0	0	1069	1907	0	0	0	0	0	0	0	0	6487	1698	7196	0	0	13463	2911	1592	1144	1853	0	0	1185	0	9251	0	0	3553	4391	5124	8170	6689	0	0	0	18849	0	8590	0	0	20045	Phytochemical	0.71428573	0.9047619	0.04761905
18	C21 H19 O15 N1	526.08276	526.0838	0.20192254	526.0828	2710	3086	1503	2226	9959	2872	0	0	11642	0	1703	918	24824	1927	0	0	0	11867	10190	0	4404	6465	3973	1490	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2758	1962	3300	0	0	0	4910	18499	0	0	0	4405	3755	6252	0	11842	19930	3913	0	0	1723	0	5001	28928	13203	4992	7471	2710	0	0	0	0	0	0	0	0	0	0	0	2495	12458	0	5645	0	0	12109	4888	0	2802	2147	0	0	0	0	16827	7673	0	4543	3199	14846	17902	15148	2647	0	0	19451	1795	11909	0	0	17038	Phytochemical	0.71428573	0.9047619	0.04761905
24	C21 H19 O15 N1	526.08276	526.0836	0.1620893	526.0828	0	0	3144	2670	5894	4316	0	0	8203	0	2676	0	22954	1822	1443	0	0	9135	7138	0	6249	4588	8271	1243	0	0	0	1006	0	0	0	0	0	0	2218	0	0	0	0	1638	0	1727	0	0	0	5195	17494	0	0	0	4846	1450	2631	0	10110	9766	1122	0	0	0	0	2688	16485	10252	1218	5062	1981	0	0	0	0	0	0	0	0	0	0	0	0	5638	1109	6016	0	0	7359	3428	0	1482	1867	0	0	0	3815	11515	6491	0	3757	2219	7686	5602	8783	0	0	0	17266	5157	6763	0	0	16002	Phytochemical	0.71428573	0.9047619	0.04761905
26	C21 H19 O15 N1	526.08276	526.08356	0.082920134	526.08276	2255	3826	5733	3314	7530	4925	0	0	6620	0	0	0	18723	2556	0	0	0	10199	8321	0	4939	6575	0	0	0	0	0	0	0	0	0	0	0	0	3293	0	0	0	0	0	0	0	0	0	0	5690	22150	0	0	0	3406	3313	3486	0	6718	11431	0	0	0	0	0	3055	18627	10219	0	6012	0	0	0	0	0	0	0	0	0	0	0	0	0	5883	0	6964	0	0	11618	0	0	0	0	0	0	0	0	11439	0	0	3671	0	6884	6747	0	0	0	0	13827	0	7745	0	0	18212	Phytochemical	0.71428573	0.9047619	0.04761905
16	C21 H19 O15 N1	526.08276	526.08374	0.2757361	526.0829	1967	0	2487	2304	9596	2951	0	0	12373	0	0	1181	19446	3096	0	0	0	8571	8381	1837	0	9616	1356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1614	4818	2493	0	0	0	4001	22162	446	0	0	4655	4136	5613	0	9388	19758	2587	0	0	1848	0	1529	25577	13391	4337	13714	3415	0	0	0	0	0	0	0	0	0	0	0	1672	11566	0	7912	0	0	12498	3635	1885	2419	2293	0	0	0	0	13887	5802	0	2482	3493	13145	13429	14384	0	0	0	15498	0	12111	0	0	23999	Phytochemical	0.71428573	0.9047619	0.04761905
18	C22 H23 O14 N1	526.11914	526.12	0.23732503	526.11926	30052	24411	26304	22066	41248	28400	4687	10912	54139	19743	18582	11536	109519	20057	15127	7077	7097	67174	62633	32580	49663	63443	19969	9433	3919	3469	4092	4152	8753	5707	5251	5816	9170	8004	31940	4048	14165	15190	5284	24924	30931	24500	1299	0	0	97417	173583	407	6961	7211	29189	37847	31400	329	84752	52381	18685	7686	11018	9007	12864	39058	76370	57206	22855	50586	20531	3554	14468	7245	13973	5630	4684	5912	6522	8788	412	10260	16666	56032	15993	98835	2562	10510	55224	33148	13919	18158	20644	4239	5333	10163	18481	77753	69402	0	31618	27098	45112	36757	44444	13491	9193	10170	123769	10080	46957	0	7829	82205	Phytochemical	0.6363636	1.0454545	0.045454547
12	C22 H23 O14 N1	526.11914	526.12006	0.2757116	526.11926	16502	17408	16423	17007	25900	8802	3306	8567	33916	23560	24621	8996	49968	8376	9432	7772	14711	40688	41932	28731	40570	50140	16657	7440	2279	1415	2435	0	5872	5680	7088	4622	9003	4915	33688	6660	4952	7349	9640	16577	42782	16827	349	0	0	48705	136914	0	6287	6207	17411	20939	19744	0	43037	37927	12220	2056	8764	14069	0	21739	71456	35208	13405	33643	15644	9874	0	5446	9011	6281	4150	4730	7256	4531	0	9068	15941	41152	12094	42182	2459	5541	48592	14514	12077	12074	12793	17132	5404	9709	12511	76675	32902	0	19324	26287	38371	34743	41543	14424	5340	9180	105542	7238	33145	0	2992	48030	Phytochemical	0.6363636	1.0454545	0.045454547
10	C22 H23 O14 N1	526.11914	526.1201	0.29319927	526.11926	7083	8375	9924	6295	16250	6199	1515	2576	15881	14637	12915	5251	27690	4988	3824	3063	4776	18618	18972	11185	23567	22805	8426	3998	0	0	3171	0	1795	2190	2880	3366	2778	2812	19458	4046	4999	4256	5230	8545	19102	7027	0	0	0	21739	53275	0	4043	2823	11629	9335	7967	0	19939	23295	6323	2616	4406	5536	0	11798	33721	19120	7481	17807	8538	5030	8930	2126	3680	2746	1791	0	3854	2094	0	3558	7097	14392	5510	14455	2036	1691	25818	6724	4075	8443	6584	6717	0	4094	8073	24385	19515	0	9568	11830	16669	24232	22499	7014	5238	4644	34533	3842	20819	0	1549	27098	Phytochemical	0.6363636	1.0454545	0.045454547
28	C22 H23 O14 N1	526.11914	526.1198	0.20823805	526.11926	5953	6634	6129	4965	8346	8412	1005	0	7164	8226	3409	1506	14212	2567	0	0	0	13818	6882	10864	17466	10114	0	0	0	0	0	1576	0	0	1348	0	1759	0	12486	0	2436	1914	0	6961	8143	0	0	0	0	30365	59391	0	0	0	8067	6349	5690	0	9180	6549	2578	1303	1597	1313	0	10355	11909	6826	2476	6104	3622	0	6356	5267	4977	1338	0	0	0	859	0	1650	2619	9224	2285	27158	0	2580	10891	2807	1611	1084	2710	1468	0	2467	2451	10251	10002	0	4858	7955	7746	5221	4795	0	1287	0	39156	2093	7518	0	0	15408	Phytochemical	0.6363636	1.0454545	0.045454547
26	C22 H23 O14 N1	526.11914	526.11993	0.23273002	526.11926	4791	4164	4200	3733	7931	6308	0	0	7643	9612	3533	0	16279	2652	0	0	0	11500	6583	8564	16327	11440	0	0	0	0	0	0	0	0	0	0	1734	0	7284	0	1861	0	0	7674	7506	0	0	0	0	31129	59121	0	0	0	5168	5935	3714	0	11330	10378	0	1785	0	0	0	7591	11463	3997	3798	8178	0	0	0	5402	5073	0	0	0	0	0	0	0	0	7718	3268	32698	0	0	8491	0	0	0	0	2017	0	1589	12701	10451	10330	0	6590	5765	6365	4287	4510	0	0	0	45067	0	7157	0	0	16786	Phytochemical	0.6363636	1.0454545	0.045454547
14	C22 H23 O14 N1	526.11914	526.12006	0.19099069	526.1192	33341	28521	28963	30347	42781	30362	6804	10763	55366	66588	29308	14080	87713	17836	16578	10945	12011	62560	62335	38171	68289	92565	24397	19870	3914	3707	6093	0	7793	9421	7469	10935	15324	6951	51591	7759	12007	16481	7717	26530	53328	25714	0	0	0	85049	199926	0	10734	11077	28409	22219	31896	0	62530	56938	20049	8749	20933	16870	0	42958	93372	53099	20770	49888	22634	10757	17300	6962	15150	8305	7280	8656	11778	3652	0	10780	20201	60324	17434	73320	6283	8323	71097	33275	15978	19714	22730	15678	0	9029	21823	96901	68012	0	33937	38094	51824	49202	56906	19313	13374	20949	187125	11581	48638	0	6739	64851	Phytochemical	0.6363636	1.0454545	0.045454547
24	C22 H23 O14 N1	526.11914	526.1198	0.1849848	526.1192	5784	5839	6412	6898	8261	9032	0	1738	9512	8809	4312	2430	23917	1854	3239	0	0	15334	7990	8096	15859	14968	0	1069	1387	1911	0	1531	0	0	1413	1107	3054	1714	6679	0	1972	2122	1753	5133	7917	1381	0	0	0	39959	76094	0	0	1399	5704	4540	6765	0	18559	8047	3360	995	1696	2142	0	10674	11500	13413	3902	9146	3467	0	4775	6496	4220	866	0	0	0	0	0	2531	2159	9900	1735	39195	1134	3288	12642	7939	2145	2798	3173	1748	2618	1815	0	10767	16587	0	4035	6879	8533	5683	7055	2408	1479	3003	55828	1010	8994	0	2177	20756	Phytochemical	0.6363636	1.0454545	0.045454547
12	C21 H23 O13 N3	526.1304	526.1309	0.11140967	526.13043	2931	5761	5733	5291	6779	2654	0	2454	6317	5075	4220	2991	13988	3251	3481	4055	0	10156	11441	3928	12916	9043	5100	0	1312	0	1242	0	1821	974	1710	3535	2237	3474	13726	1634	4656	3890	2564	3520	0	938	0	0	0	6836	23809	0	1954	1510	3297	11462	3348	0	12296	5952	4313	2343	0	0	0	0	17934	12453	2469	5873	4114	0	0	0	0	2894	0	1038	0	2768	0	4261	3445	0	5499	11696	1265	1178	5686	3238	2430	4543	4716	4909	0	2410	5037	8723	7164	0	8037	5370	7985	8296	5302	6692	3218	0	0	2886	5417	0	1601	13610	Unclassified	0.61904764	1.0952381	0.14285715
14	C21 H23 O13 N3	526.1304	526.1311	0.12949237	526.13043	5119	6780	6416	8234	10067	5932	0	2873	15592	9356	6094	3112	16871	2665	3074	3501	1929	9331	6218	5188	8086	20063	5926	0	0	0	1266	0	0	1713	3310	0	5648	1844	15366	0	4639	5273	0	5916	5435	3137	0	0	0	16954	26996	0	0	0	7178	4336	5107	0	19856	6078	4201	1752	5500	0	0	6977	14478	10052	3979	16669	5683	2734	0	2546	3337	1465	1409	0	0	3791	0	3138	6081	0	8742	17934	2847	3903	7417	4545	7336	4113	4852	0	0	2385	9919	12402	15863	0	6137	8353	9603	8910	7562	2240	1824	0	16422	3664	6027	0	1999	12095	Unclassified	0.61904764	1.0952381	0.14285715
14	C26 H23 O11 N1	526.1344	526.13525	0.048170645	526.1344	4455	3612	6305	3422	5446	3169	0	0	7718	24982	12946	0	3954	3880	0	0	0	2825	3879	12601	19315	0	0	0	0	12054	0	0	0	0	0	0	1598	0	42171	0	0	0	0	9837	20573	0	0	0	0	11408	12983	0	0	0	3166	5367	0	0	7603	6247	1323	2528	0	0	0	7595	9211	4745	1576	7451	3089	0	0	18316	19053	0	0	0	0	0	0	0	2852	0	4014	7340	0	5057	5590	0	2852	2298	0	4935	0	2572	0	14447	19701	0	0	4048	3570	6135	4054	0	0	0	0	1699	0	0	0	6457	Phytochemical	0.42307693	0.88461536	0.038461536
16	C26 H23 O11 N1	526.1344	526.1352	0.1224347	526.13446	12060	10786	6544	8100	9702	3203	2083	0	9387	53192	21015	1141	10682	3830	2310	1936	0	7616	8841	29379	30162	25175	3448	4043	2579	19476	1342	16584	2779	0	1377	0	2528	0	67168	0	1698	1862	1439	20145	21618	3637	0	0	0	15304	27350	0	2588	1404	12542	13364	3738	0	10751	8967	2899	3339	2830	2551	0	8644	14436	10359	1545	11050	4217	1747	25225	26231	40424	0	0	0	0	0	0	1359	4470	24627	2785	8974	1632	11198	7175	3925	3603	2354	2579	0	0	8386	0	32197	39496	0	7834	8113	6612	8727	10587	2218	0	4176	11769	0	8465	0	2466	15914	Phytochemical	0.42307693	0.88461536	0.038461536
24	C26 H23 O11 N1	526.1344	526.1351	0.10024999	526.13446	5066	5941	4972	4019	6149	4426	1220	0	9960	25856	11191	1287	8823	2659	1564	2097	0	8441	8003	11131	18693	15603	2344	0	1535	9720	1264	6087	0	0	0	0	1133	1349	25206	0	1206	1724	1243	12003	8511	0	0	0	0	9829	16564	0	0	0	5064	8694	3737	0	7194	6648	2221	2798	2985	1646	2457	7257	7262	7100	1816	5397	3421	1421	14200	14659	13591	1685	0	0	0	0	0	0	2401	14953	1440	10956	1003	8937	5127	4129	2634	1323	2741	2397	2090	3365	3759	21004	29036	0	4617	4554	2825	4772	4075	1756	1331	1453	9522	0	3769	0	2488	9106	Phytochemical	0.42307693	0.88461536	0.038461536
22	C26 H23 O11 N1	526.1344	526.1352	0.16431686	526.13446	10410	7788	10182	8851	9220	6276	1936	0	13066	42364	24617	1333	14304	0	3093	2168	0	13563	9347	27631	30139	25843	3522	2983	3750	15436	0	13476	1398	0	1277	0	0	0	50558	1565	2110	3245	0	16192	16586	3185	0	0	0	22562	27623	0	1945	0	9760	9965	7537	326	14178	9225	3932	2638	1501	1475	3831	17439	18188	10904	4768	8730	3811	1607	18277	27630	25506	0	0	0	0	0	0	0	4223	21540	5216	15593	1959	12319	9514	8888	4465	3120	2643	2131	5287	7317	5398	35404	47801	0	5121	9134	9173	9353	7302	3697	1191	1252	18585	3773	7240	0	3410	16394	Phytochemical	0.42307693	0.88461536	0.038461536
26	C23 H27 O13 N1	526.1555	526.1563	0.14325857	526.1556	5016	6366	5995	3819	8928	7495	0	0	5623	21021	3573	3043	12569	2934	0	0	0	13652	8908	29602	23167	10054	0	5870	0	6089	0	0	0	0	0	0	3174	0	18839	0	3903	0	0	14002	12168	0	0	0	0	48157	60947	0	3310	0	8107	7313	6272	0	10881	0	0	0	2461	0	0	9861	11223	6019	0	6589	0	0	8052	16793	11121	3189	0	0	0	0	0	2930	0	5874	3298	32782	0	10201	6420	0	2602	3687	0	0	4710	2887	4972	4061	12917	0	8384	10984	10747	3581	0	0	0	0	37486	3121	8176	0	0	12434	Phytochemical	0.5652174	1.173913	0.04347826
14	C23 H27 O13 N1	526.1555	526.1564	0.13594274	526.1556	100926	91993	77770	89276	74061	50396	49955	102114	96204	180851	91312	48444	127494	36231	75998	69511	55641	135482	115613	186648	203940	201623	78242	79581	48645	52265	41271	59003	65670	75776	65103	74021	91912	53808	229005	77335	65419	61917	45124	136383	126490	65237	0	0	0	273587	371896	0	59963	78077	84195	88724	56919	0	141473	75832	43412	69023	101281	52593	71059	134462	134911	90084	41512	89667	60555	42088	97400	76554	67429	65103	57823	73980	48826	65091	0	57918	63700	130840	52718	196670	48854	62070	92971	66336	51587	45482	56296	55263	46003	78338	99405	152880	170308	0	74664	124411	71216	57370	68117	91540	52219	108597	380754	57322	79681	0	37755	130671	Phytochemical	0.5652174	1.173913	0.04347826
8	C23 H27 O13 N1	526.1555	526.15656	0.29090303	526.15564	11505	9038	11628	9844	8176	5402	4877	9604	10969	22006	12691	7101	15880	2815	6951	11571	7495	11429	11684	19255	22546	23065	7380	9824	3078	4504	4850	1692	5239	8132	7253	6167	7911	5150	25116	6069	6861	5928	7181	14307	19197	6071	0	0	0	19366	33884	0	6864	7160	12368	12110	6733	0	12444	10482	5638	7788	4545	11132	10273	11581	17771	12363	5182	10373	7250	12630	8583	4664	6069	6492	6231	6025	5974	5682	0	5725	8949	7311	5860	10187	5831	5994	12531	5448	8589	6333	8261	14784	0	0	10917	14446	22589	0	11218	14532	9539	11692	10201	11973	4923	8597	11522	7847	8769	0	6339	14425	Phytochemical	0.5652174	1.173913	0.04347826
28	C23 H27 O13 N1	526.1555	526.1563	0.13444662	526.1556	5849	6914	7297	6043	6461	5058	1085	4332	5014	17168	4155	1565	12850	2808	3158	2892	2766	10377	6781	24065	21260	10009	3499	5364	2522	4655	1187	3107	0	2306	1910	0	3686	2294	21110	3588	4328	2397	2242	13238	10191	2748	0	0	0	40742	44479	0	2537	2817	7905	5983	4232	0	5743	4912	2250	2118	2612	2382	0	10769	7276	4415	2850	4200	2217	1892	8874	18759	14537	2757	2308	3012	3497	2345	0	1852	3211	5027	2918	24024	1841	6436	8681	3440	2912	2092	3178	1424	3285	3602	4649	6913	10581	0	4839	7175	5721	3032	2791	2438	0	4697	31439	2327	5348	0	0	9852	Phytochemical	0.5652174	1.173913	0.04347826
12	C23 H27 O13 N1	526.1555	526.1564	0.15639965	526.1556	59775	60193	52621	54572	38129	34206	31144	63505	55203	111647	72780	37021	76048	18785	47986	49700	50222	73230	77989	127357	130336	134555	56455	53517	24219	30596	27524	25916	46245	43535	43011	39783	57120	37155	133477	43980	44444	41566	43754	99082	101591	32353	1413	0	0	166487	241851	0	38259	52462	54147	53962	38128	0	87062	48655	28251	54581	52276	47148	48816	85386	81716	56907	25375	57484	36882	42528	44229	41698	54978	48744	41905	47857	32593	39200	0	35161	45398	84995	40644	102558	29167	37327	63140	37742	42571	23102	31165	48202	22167	44984	63551	98281	95528	0	60247	82824	53892	32040	42545	55905	34551	57127	202447	45201	53678	0	28037	79072	Phytochemical	0.5652174	1.173913	0.04347826
18	C23 H27 O13 N1	526.1555	526.1563	0.13197884	526.1556	557283	570674	595213	497219	494561	407360	159768	397977	573076	1265949	510536	261315	1212898	235777	435482	327534	145208	619213	783892	1113584	1085968	945517	338319	403906	307195	339124	176209	422480	361319	275709	315907	303595	404776	208281	1614837	399400	369788	334092	177204	850458	575350	235594	8132	0	560	1730977	1346057	0	346544	322512	581684	474216	354998	672	845464	384104	250920	402401	450889	144866	327108	631068	802469	453947	194934	532449	278840	147139	506505	836456	760290	345237	320123	265336	189248	292516	556	254275	301836	448922	323283	1219013	205606	494272	499132	320453	205129	226457	295945	200219	350133	461679	385845	572567	889653	1634	601774	501267	432746	283615	267110	378516	218378	409461	1128808	249787	347689	664	262531	808783	Phytochemical	0.5652174	1.173913	0.04347826
24	C23 H27 O13 N1	526.1555	526.1563	0.19982502	526.15564	9051	10570	9279	11460	13342	11116	1379	5518	14360	21708	8164	3853	22886	4730	6793	6896	3166	22685	13930	24154	33990	15087	7477	8890	4416	10180	0	7114	4846	4442	4506	2212	4578	3209	22111	6326	6701	5703	3353	20333	13748	6087	0	0	0	69844	80443	0	4385	5324	11202	9375	9041	0	14196	9395	4404	2870	4819	4044	3272	18715	13030	9379	3132	10885	4831	1457	12422	16289	13812	7149	4642	5091	3551	3987	0	6015	5932	8974	6924	50047	2877	10700	16664	8268	4865	3714	3178	2966	4255	6125	4914	14661	23414	0	13412	13784	11006	6394	9949	5039	2379	6259	65057	3708	13231	0	2682	22818	Phytochemical	0.5652174	1.173913	0.04347826
20	C23 H27 O13 N1	526.1555	526.15625	0.10170112	526.1556	77190	86105	85031	58151	75544	77933	25497	55860	89195	160808	63380	29375	158292	39180	55250	40093	25589	120639	102714	146662	166229	126245	50542	58476	45318	55000	24738	37395	59190	47581	46583	45552	41001	42513	158279	48556	66738	38570	20572	105637	64068	39528	2145	0	399	337457	311571	0	42715	48004	75407	72079	52252	536	120895	70762	30783	41343	60827	24487	35447	106280	109362	79384	33276	76925	45378	20923	62109	81355	58381	48546	41738	44484	32742	35693	356	41356	39738	79539	45440	215086	29184	42648	81182	50914	46744	28424	38099	17302	32303	62804	61424	93748	129027	1067	75795	95040	83427	54425	44659	48669	36719	58320	274515	49934	79602	0	28458	134146	Phytochemical	0.5652174	1.173913	0.04347826
12	C22 H27 O12 N3	526.16675	526.16766	0.18840873	526.1669	11335	9409	10398	7263	5895	6439	9228	14500	10822	8731	3641	7632	11997	2492	13187	13371	12709	10411	13054	7544	10474	18547	15671	15216	8862	0	7944	0	16521	11320	13736	10819	15926	13865	11256	9589	12492	12208	11985	10511	6866	7761	0	0	0	13387	16530	0	13463	9121	11411	11174	10259	0	14505	4657	6716	14451	17265	10006	0	9041	14591	12592	3484	11499	10430	11900	0	0	0	14447	12964	8431	6927	6830	0	14713	12075	0	6494	9604	7943	6067	6041	6216	12038	5791	8931	21475	9134	13666	23904	6112	4573	0	12624	9929	4364	4841	5115	13014	10273	7937	0	13027	5283	0	7368	14699	Peptide	0.54545456	1.2272727	0.13636364
10	C22 H27 O12 N3	526.16675	526.16766	0.22416398	526.1669	14274	17633	12147	11129	5816	5635	7441	17779	8678	11477	4635	9672	9941	3459	13310	10021	11079	12349	12385	12533	13790	22342	10007	20307	5435	0	7000	0	11457	11967	12764	14818	17427	11430	13747	12202	14865	11334	13903	14778	13582	8166	0	0	0	12798	17159	0	11652	15115	10795	13001	5022	0	16273	5731	5747	16091	13152	10905	15985	9054	15344	13023	6923	11390	10251	15472	0	0	0	9671	12860	12664	11117	11711	0	8651	10694	9325	10763	8252	6473	3918	5929	7420	9552	11606	9555	22261	8854	10160	31597	9834	6947	0	11596	12095	3487	6156	6818	20084	10921	16422	0	17132	5651	0	8564	14510	Peptide	0.54545456	1.2272727	0.13636364
8	C22 H27 O12 N3	526.16675	526.16766	0.19272502	526.1669	8577	11438	8795	7762	5899	3416	6107	10184	6413	7576	5546	9165	12416	2972	6532	11200	11098	10260	11139	7230	10141	17998	10646	14034	3091	0	4817	0	9315	5867	6377	10313	11701	8995	11538	7933	12467	8118	11375	10041	7935	8214	0	0	0	9842	15454	0	12148	8564	11511	10599	5259	0	9586	6931	4469	9802	7953	10353	10799	6806	13865	10980	5424	8199	5565	13477	0	0	2980	8378	7474	6784	8443	7910	0	7476	8281	3405	7072	5660	4301	3360	6945	4588	8430	6747	7253	19738	0	8051	20402	8233	7089	0	9405	9523	4649	6933	5917	10728	6976	12470	0	10109	4422	0	5285	12915	Peptide	0.54545456	1.2272727	0.13636364
26	C27 H27 O10 N1	526.1708	526.1715	0.06092678	526.1708	3042	0	0	4058	2851	2841	0	0	3541	18282	6333	0	5328	2943	0	0	0	0	4361	7789	11340	5884	0	0	0	9881	0	5509	0	0	0	0	0	0	13952	0	0	0	0	11103	9400	0	0	0	0	9277	19598	0	0	0	4130	2736	2966	0	0	0	0	0	0	0	0	7058	5515	3143	0	3024	2149	0	15947	16581	20219	0	0	0	0	0	0	0	3287	0	0	5853	0	4149	0	0	2055	0	0	0	2087	1564	0	8217	11734	0	3681	0	3363	3310	0	0	0	0	0	2077	0	0	0	5172	Phytochemical	0.37037036	1.0	0.037037037
12	C27 H27 O10 N1	526.1708	526.1719	0.21344288	526.1709	3974	0	0	5969	3011	1800	0	0	4392	14101	8955	0	2453	2225	0	1425	0	0	2567	14633	15958	0	0	0	0	12346	0	0	0	0	0	0	2422	1259	23305	0	3273	951	0	8198	7386	0	0	0	0	5071	6969	0	0	1289	0	0	0	0	3514	2240	1024	0	0	0	0	4065	4888	1576	0	3198	1659	0	0	17524	24320	0	0	0	0	0	0	0	2850	0	0	2803	0	6106	2242	1817	2419	0	0	0	0	3305	3435	8631	6097	0	3567	5018	2105	1540	1022	0	1055	0	0	0	1350	0	1929	2269	Phytochemical	0.37037036	1.0	0.037037037
24	C27 H27 O10 N1	526.1708	526.1715	0.1565932	526.17084	5826	7154	8452	8090	7595	6375	0	1527	8998	35431	18732	1295	10230	0	0	1935	0	8139	7861	21749	24447	17950	2434	2906	3030	24153	1331	14585	2656	0	1332	1662	1713	1549	33189	1314	1427	3405	0	16360	14149	4479	0	0	0	16409	18211	0	2123	0	6869	6884	4402	0	7937	7527	3342	2229	2984	1528	2810	12508	11327	4719	4267	8222	4531	0	20956	31832	34392	2492	1189	0	1985	1932	0	2138	4209	11576	3079	14030	1099	13940	12408	6680	3730	2361	4125	2349	5500	5396	5636	13765	24637	0	5015	8614	7516	6299	8212	3718	1485	2289	12239	2250	5364	0	3880	10278	Phytochemical	0.37037036	1.0	0.037037037
22	C24 H31 O12 N1	526.1919	526.1926	0.08533458	526.19196	60824	63466	53064	55982	56970	52251	21536	59178	67231	126382	42381	30817	92086	27514	44556	47922	16757	98985	66812	120757	117663	58869	51265	62067	40664	74904	15860	30242	51028	41917	0	39264	0	0	101669	0	43883	30070	18983	86066	48440	27699	0	0	0	181455	140300	0	45602	0	59800	51144	42693	369	84320	51036	26434	34369	35498	22065	43352	60360	0	53242	23585	50408	34441	17435	51110	110348	77687	48589	44643	48969	33484	35931	437	0	41834	33427	36125	110344	30994	51257	62043	43072	31317	28484	29018	23041	31108	43583	51755	39697	73546	0	58820	62505	47000	33247	37036	43002	30493	44250	129543	37488	0	0	26803	85327	Phytochemical	0.5	1.2916666	0.041666668
8	C24 H31 O12 N1	526.1919	526.19293	0.22526021	526.192	18783	12677	12835	11554	7137	4633	7429	14669	7335	26223	10369	6944	12395	3700	9739	10710	10270	11367	11109	22287	24075	22589	9562	14665	6266	5476	6414	6001	12982	10518	8539	9458	13227	8335	25322	10744	9838	6648	8581	17200	13764	5886	0	0	0	15681	18665	0	11240	13414	12836	10762	5639	0	13365	6754	3722	11520	11842	8971	15069	11962	14414	12780	3694	10448	5969	10230	7004	9051	8558	12692	10313	11461	8120	9933	0	8118	12297	4080	7296	8047	7789	9846	7815	4503	9300	4728	6559	8758	0	10151	17530	10821	13149	0	13729	13527	7364	7559	6714	12788	6152	16460	0	10801	6641	0	5330	12842	Phytochemical	0.5	1.2916666	0.041666668
12	C24 H31 O12 N1	526.1919	526.19275	0.116429865	526.19196	56999	61592	55454	56586	29993	24906	45915	82786	44892	101916	55970	42925	44751	17668	55910	53175	56885	52334	56297	133802	123722	96424	60649	84074	49965	56644	34243	33647	71749	59274	58968	52184	71111	53184	144630	68523	50859	46121	48633	89543	85754	33370	938	0	0	107625	128686	0	52548	64572	50884	63786	30888	0	58460	31334	21809	59620	75373	52197	78237	72780	56351	44199	19243	41235	32721	58019	77710	67188	78227	57761	57859	72377	45311	46589	0	46316	45338	59786	46933	67004	44240	49967	41099	29367	40582	24433	30445	69301	41507	55013	75149	61754	67455	0	60469	83907	41000	30196	34109	62292	38340	80555	102922	53265	40074	0	43222	51890	Phytochemical	0.5	1.2916666	0.041666668
14	C24 H31 O12 N1	526.1919	526.19275	0.13379732	526.19196	131520	131802	105739	126305	70426	65600	86226	184475	88548	253622	119920	83425	114052	50569	122761	159558	93405	122927	137780	286563	255365	175383	137385	160854	104923	141584	66657	110793	147401	142424	108230	144501	141051	104057	295649	135956	109370	95149	77449	171008	143955	76594	3329	0	0	270776	258634	0	116437	153836	125516	115323	72388	362	146011	71578	52856	122662	202677	77186	163311	142786	109650	96320	48439	85377	74205	73532	154102	154734	126620	118600	116860	157414	94188	109161	0	97622	87773	106151	80824	155047	95478	115597	95373	72403	77499	59741	77171	83020	82773	114270	144473	105743	164428	926	125675	165716	85449	61074	72966	147754	81132	191501	226354	98656	80338	0	84405	99892	Phytochemical	0.5	1.2916666	0.041666668
24	C24 H31 O12 N1	526.1919	526.1926	0.119743995	526.19196	22901	19124	20489	21825	22152	19577	5456	16171	23669	48251	9119	11574	40003	11945	18516	15495	9600	41261	29458	54952	45906	24072	17401	19674	12376	22195	5471	10008	15199	14686	14633	12845	17749	14496	46854	14047	13060	7307	8208	36051	23168	8961	0	0	0	80031	69190	0	16492	14878	20682	22140	14206	0	28224	19793	8041	14373	16166	7558	21823	25594	29633	20186	8634	17809	11197	8768	27654	55657	35462	22847	13712	18586	13020	10992	0	14665	17717	12294	17011	48734	9171	17803	24544	12523	12688	7847	11010	4880	14670	13285	20320	16676	32926	0	25344	25224	17307	8788	15002	12539	9837	18527	52979	11061	19102	0	6578	40015	Phytochemical	0.5	1.2916666	0.041666668
26	C24 H31 O12 N1	526.1919	526.1926	0.12932424	526.19196	8083	7230	8088	10484	10863	8563	1589	12882	9403	28393	4957	4074	16823	3212	7070	11147	0	20412	14850	36577	26403	7455	7272	6802	0	10547	1920	5111	0	0	4949	8990	5743	6361	24066	8605	5285	5647	2855	18899	12932	0	0	0	0	47609	38241	0	7469	0	9084	9998	5514	0	14758	5649	0	7611	5818	0	6655	10027	13340	9277	3169	11787	5501	2323	18642	26908	21980	9470	7172	7457	6928	5203	0	0	6857	0	5501	18380	4257	9787	9706	0	3929	4267	2988	0	4734	6466	6905	5062	11746	0	11026	7708	7317	5332	0	0	3310	10058	17946	4488	6827	0	2521	16803	Phytochemical	0.5	1.2916666	0.041666668
28	C24 H31 O12 N1	526.1919	526.1926	0.19974002	526.192	5357	5397	9218	4467	5987	4854	1069	3944	4793	19829	4507	1668	11816	2258	4416	4087	0	9466	6493	23660	22139	6691	2651	6064	0	11572	2051	3307	3112	0	3406	3727	3641	3033	15539	2288	4577	2307	2090	11713	8741	0	0	0	0	20979	22504	0	6215	4492	6949	4204	4291	0	4068	2401	2160	3214	2986	1219	3780	6564	7691	3694	2056	5141	2937	1805	9660	25433	18078	5362	3602	2871	3372	2604	0	1692	4939	1926	3069	10543	3131	7198	2932	3070	3525	3021	2447	1476	3541	4926	6492	3440	5505	0	6040	6822	5165	2876	2816	2933	1174	6236	13634	3681	3889	0	1917	9304	Phytochemical	0.5	1.2916666	0.041666668
8	C23 H31 O11 N3	526.2031	526.20404	0.214799	526.20325	12805	12006	11058	12283	4103	3824	7171	16655	8234	7840	4086	9532	9800	1290	10743	14849	7966	8308	9082	10050	8204	21965	12837	16569	8409	0	6279	0	11706	9329	9668	13285	16225	9499	13482	14947	14946	8842	11825	9613	6720	5914	0	0	0	12991	7007	0	13720	10843	8577	10426	6114	0	10741	2019	4705	15651	10875	9010	12568	5131	10866	8819	5160	7356	7066	10718	0	0	0	13485	9618	10270	5302	12291	0	8659	9882	0	7571	5691	9968	5313	4731	0	10881	7159	7793	16977	12281	20271	33311	5130	7678	0	9780	9580	2408	4862	4545	8653	8132	15696	0	15053	5567	0	8424	9527	Peptide	0.47826087	1.3478261	0.13043478
12	C23 H31 O11 N3	526.2031	526.20404	0.1305106	526.2032	12868	12149	9278	11599	4644	5485	13157	22815	7794	9760	9029	8322	7274	2879	17278	9981	7683	9653	11384	15150	14132	23725	16363	14909	14451	0	5965	0	17893	11023	18151	14390	21606	12968	11614	12265	18073	12870	11061	11047	0	7218	0	0	0	16131	6120	0	16393	14162	14402	10617	7359	0	15843	3378	6244	16522	19678	0	0	7961	7751	7544	5179	7418	9399	9398	0	5070	0	15811	15987	13761	8800	11359	0	13485	13798	0	8878	5378	13178	3226	4106	5752	12968	6549	8006	17847	17784	30566	34949	5399	5959	0	16850	13382	4276	0	3025	14292	8823	10949	0	22305	2540	0	12318	10896	Peptide	0.47826087	1.3478261	0.13043478
22	C28 H31 O9 N1	526.20715	526.2079	0.08287663	526.2072	23536	26516	24976	21760	16530	13546	5273	15109	17753	65051	49281	5300	13045	16436	7371	13706	6717	19720	21062	61649	58934	27016	12397	19416	12185	78042	5505	58245	8003	7818	5307	7662	11483	9936	74439	9202	13038	9545	8893	51655	41369	9742	0	0	0	32515	27719	0	7547	8613	19389	21603	13160	0	15019	11037	8793	16818	12515	9605	13848	37721	21165	15653	4173	22158	15777	8495	71020	95159	99387	7972	8406	6599	6208	7014	0	7947	12177	21956	11584	22860	8054	34203	19570	13592	13163	11827	14615	17106	20318	28432	21200	24945	34358	0	17698	22684	13337	15592	13697	14687	8088	12239	21299	16800	13605	0	10037	15368	Phytochemical	0.32142857	1.1071428	0.035714287
20	C28 H31 O9 N1	526.20715	526.2079	0.050398752	526.2072	20180	29052	16490	20286	17231	9652	8449	10940	20056	67191	50581	6808	15516	12569	7292	18148	8887	9554	22326	58693	57804	32065	11450	18959	10834	74749	8402	50269	10155	9983	9349	7381	11779	13343	76369	8160	13936	8382	10751	53554	45922	14408	848	0	0	19797	31491	0	11463	8177	22978	22540	15477	0	15680	12050	8878	17640	9563	11107	17704	34069	17280	11942	6798	20236	10136	9682	65821	105169	95631	12996	6983	5406	9822	7612	0	7901	12690	27064	13560	16401	11032	43234	14730	9547	21446	17473	14440	25665	15652	19705	28639	25257	32842	0	20624	20181	13631	12198	8768	11998	7255	16333	14824	14062	13074	0	8699	19084	Phytochemical	0.32142857	1.1071428	0.035714287
24	C28 H31 O9 N1	526.20715	526.2078	0.07062419	526.2072	10946	12207	11405	11441	9784	7533	2475	4935	12030	40955	32033	4068	8383	7733	2335	6992	4532	9777	8163	29021	35995	16018	7392	6980	3555	35563	1548	27534	5297	3294	5491	3361	6218	5242	43347	6256	9286	3048	5792	27163	27864	4948	0	0	0	23796	18273	0	4862	6666	8483	11453	6609	0	9088	9957	4454	5516	4567	3605	4651	20654	11069	7045	5337	9447	6963	3771	39533	50412	57654	4581	4797	0	3363	2347	0	4339	3743	10026	5942	12475	5114	23112	14259	0	8586	3935	7596	8092	8028	8067	10604	15150	20308	0	12731	9327	6837	8500	11476	4991	2627	10112	11776	9561	8018	0	4850	13559	Phytochemical	0.32142857	1.1071428	0.035714287
26	C28 H31 O9 N1	526.20715	526.20776	0.009149392	526.20715	5756	4283	4112	5524	3411	0	0	0	4220	11361	10318	0	0	0	0	0	0	0	7861	8618	9904	4220	0	0	0	19537	0	9396	0	0	0	0	3432	0	15234	0	2936	0	0	9722	13848	0	0	0	0	5895	13887	0	0	0	4797	0	3178	0	0	0	0	2128	0	0	0	4493	5647	2614	0	5209	0	0	17209	21573	32184	0	0	0	0	0	0	0	2864	0	3220	3700	0	6647	0	0	1751	0	0	0	0	2589	0	6135	9980	0	3825	0	2726	3598	0	0	0	0	0	2790	0	0	0	3250	Phytochemical	0.32142857	1.1071428	0.035714287
26	C25 H35 O11 N1	526.2283	526.229	0.03780561	526.22833	15313	13843	12696	11952	14248	15355	4499	10309	18247	35063	9055	7259	27513	5248	10521	16736	0	24166	19341	48923	39180	13295	14122	18160	6766	24308	3172	8222	14905	10356	11298	11594	11140	10243	40536	11439	16661	9863	5611	20321	15355	0	0	0	0	29644	17138	0	12355	9786	15115	13828	12792	0	17620	12045	5059	10938	7507	4379	15093	12256	18039	13075	5584	17339	6358	6579	22440	46041	30324	18959	10528	12518	11217	9497	0	6886	11048	0	7558	14208	7174	11096	17335	0	8883	7772	7898	5473	9166	11915	17744	5794	17139	0	14161	14444	9291	11588	12002	8488	6806	15051	14632	11038	8451	0	6559	25249	Lipid	0.44	1.4	0.04
28	C25 H35 O11 N1	526.2283	526.229	0.1070488	526.22833	6033	4913	6688	4532	5577	3438	1328	7409	3525	18488	4465	1475	8308	1377	0	5298	0	5916	6689	19887	17270	3077	4250	5442	2694	11135	1392	3224	6651	3403	4074	5023	3959	4674	16838	4972	5540	2331	2614	9752	5290	0	0	0	0	10519	8867	0	4433	6594	6118	4764	3688	0	7734	3390	1183	3554	3010	1846	5927	3788	7420	2901	2357	6045	2647	1789	10997	25733	18808	4577	4334	5074	2983	2299	0	3673	3447	0	2485	2891	2629	6013	5059	3018	3807	2450	2559	1613	5245	4608	5789	2272	5112	0	4771	7857	3075	2152	3322	3911	1728	6528	4978	3377	3288	0	2815	7128	Lipid	0.44	1.4	0.04
14	C25 H35 O11 N1	526.2283	526.2291	0.06744482	526.22833	66716	70585	73194	68397	35368	36370	46931	112538	45320	78773	53264	50193	57109	25365	75290	89949	73013	63098	65897	137673	131144	92700	77917	109368	75700	89190	52205	52042	95438	104779	73034	77507	79308	65750	103725	102967	74537	52344	61946	75043	64016	49929	0	0	0	88598	85577	0	75001	90719	61092	65815	40335	0	70742	40018	27761	83640	81248	52597	107604	60034	41252	47717	23547	43149	42851	52648	89213	93188	70926	75082	68866	101856	64460	72796	0	63214	68988	50782	55202	61882	65293	54133	50875	37676	59100	45752	40139	77230	64851	67746	106724	35372	65101	0	66315	88939	38397	36428	44014	90219	49707	127196	62134	61334	43449	0	54695	42210	Lipid	0.44	1.4	0.04
12	C25 H35 O11 N1	526.2283	526.2291	0.059874177	526.22833	25131	21339	25815	24792	18779	14472	25520	48292	16107	41356	15254	19181	24380	10146	28445	31315	38991	21548	32104	61601	46376	36924	35607	37153	27048	31799	18687	14121	42739	31676	37108	28570	35649	23821	43133	42269	28124	26923	33908	36771	25477	17403	547	0	0	37479	44036	0	27731	33355	24101	25532	15778	0	29885	16078	11004	31427	35692	27722	28169	23901	19645	17712	9707	19175	17365	29263	23048	34993	31631	28213	28888	36839	21728	28662	0	26860	29594	0	20142	23737	27920	25196	19121	12800	23872	9786	19383	31443	26420	34219	41869	17042	23160	0	23551	32661	12395	12752	12742	35506	24999	37143	30292	29571	17041	0	22933	16680	Lipid	0.44	1.4	0.04
10	C25 H35 O11 N1	526.2283	526.2292	0.16112444	526.2284	12768	13059	16756	12313	8709	5951	14657	23072	9073	26063	7875	12095	13245	4992	12723	17875	13389	9002	12902	23175	25714	22275	14309	22733	12298	12269	13877	6760	23354	18525	16478	16516	22543	15323	29441	22566	24232	9467	14319	23322	11645	8015	0	0	0	17167	14858	0	20396	20821	16999	15478	8484	0	13418	6519	5587	15159	12013	11005	16064	12203	9983	9254	3431	10705	8198	9107	7625	11728	15765	17311	18274	17958	9850	18142	0	11169	13010	10221	11375	9006	12447	11074	7818	6086	27726	5809	8121	13479	21107	17148	27766	7090	13517	0	14117	15453	7546	6478	7851	19073	9719	25281	0	14738	7102	0	10447	10605	Lipid	0.44	1.4	0.04
22	C29 H35 O8 N1	526.2435	526.24426	0.049368795	526.2436	25152	26618	23028	25201	19985	11538	8399	24673	15047	38145	42805	14086	17557	11873	12345	24763	19528	15539	22269	51449	56009	25365	19223	23979	21033	84705	11388	44389	21915	16111	16604	27545	23706	21263	40522	21012	25079	12458	15175	46984	43208	15624	0	0	0	28482	32069	0	19953	18317	26617	23362	16909	0	11333	15865	10964	30209	17574	16162	28417	31332	11083	15564	10134	12237	15082	15698	64657	79636	95966	19048	18532	16518	11545	17494	0	12971	23342	18730	14816	16834	14618	36774	16070	10506	25153	16555	15980	40344	29049	31631	38677	26038	30524	0	32320	19528	12430	14711	14706	25088	14558	27058	11155	23761	13304	0	15748	11023	Phytochemical	0.27586207	1.2068965	0.03448276
24	C29 H35 O8 N1	526.2435	526.2442	0.035749856	526.2436	18413	16297	14732	18550	14450	11255	6948	17160	13786	34317	37643	9234	14115	10270	9126	13244	8987	13491	16422	48424	44484	20152	12981	22749	15239	73659	3650	40583	15099	10940	15009	13141	18912	14880	38180	14876	16958	8027	11790	38480	33010	10278	0	0	0	22983	18482	0	12487	9768	19136	16749	12574	0	15942	14185	9676	18355	11113	9539	22194	23093	12309	11307	5050	10349	15732	12487	66372	72908	78331	14558	12590	10302	7085	14700	0	10573	15606	14006	12211	16515	10838	31068	15817	10272	14854	11300	13592	18860	17406	19838	25799	19420	22774	0	20465	16443	13357	14098	7682	19116	6690	20945	12078	21233	11889	0	13411	12306	Phytochemical	0.27586207	1.2068965	0.03448276
26	C29 H35 O8 N1	526.2435	526.2442	0.07922315	526.2436	6848	7264	7618	6193	6227	4086	0	0	3631	11493	18028	4549	5221	4161	0	5768	0	0	0	16194	18985	6447	0	7982	0	34330	1748	18106	6017	0	5454	5436	6783	6287	10926	6941	6733	0	5045	15357	11991	0	0	0	0	8729	5845	0	6250	0	5743	5673	5257	0	5383	6908	0	6841	3599	7133	7723	8719	2537	5352	0	6677	6874	4957	39488	22129	38248	5717	5029	0	0	4837	0	2833	6859	7902	4005	4551	5998	12257	6715	0	4318	4402	4473	7624	5855	4353	5724	5649	0	0	6500	0	4178	9330	6593	6911	0	5731	0	5288	5138	0	6450	3434	Phytochemical	0.27586207	1.2068965	0.03448276
14	C26 H39 O10 N1	526.26465	526.26556	0.17437549	526.2648	16161	13231	12974	15921	7159	6362	12001	28524	6917	15590	6733	12672	8298	7275	20059	25859	24600	8005	10964	22348	16513	11213	17432	25123	18435	11647	12629	0	26175	27412	18682	24407	21852	12422	13703	26168	18151	15874	18014	9359	6749	11260	0	0	0	13272	14880	0	21920	26359	19417	16971	6934	0	14002	6575	7428	23777	14413	13268	19106	9592	10408	8901	4984	6833	7102	17677	0	13913	7476	18152	18052	25597	23053	22242	0	13448	19459	0	11601	7503	11067	6759	9086	8650	14772	6292	9343	19276	18747	13339	25414	5691	11673	0	14617	18413	4431	5880	12103	27732	13984	27351	0	10139	10049	0	13452	9570	Lipid	0.3846154	1.5	0.038461536
18	C26 H39 O10 N1	526.26465	526.26544	0.041380472	526.2647	104871	98097	100910	83079	75008	54286	72652	162351	72646	92607	71502	74587	109656	43852	110994	137767	98672	93778	133495	189309	131161	78680	120907	161566	92796	104246	69633	72617	164444	134525	0	141153	130811	106634	96856	151946	117538	85982	74694	95393	53820	78649	1782	0	0	111895	75887	0	130752	132494	97254	106471	65875	401	116400	78843	50101	114825	92847	59617	140717	63084	90717	83235	46995	82556	64539	79626	95196	128619	109026	102995	103594	134286	98676	131146	0	89164	100998	58810	95169	55007	86306	59839	93421	74687	93799	60127	75969	93685	97661	119791	174279	40331	80784	0	108856	121318	62293	65052	75703	144675	81144	148349	63976	96609	75469	0	87223	80476	Lipid	0.3846154	1.5	0.038461536
26	C26 H39 O10 N1	526.26465	526.2654	0.05358831	526.2647	20327	20604	22025	17603	26321	15678	7910	23872	21503	40086	14159	10311	42430	9967	16623	20329	10984	29574	39220	43872	50489	20889	15269	28003	18888	27371	6031	17105	20396	15782	21100	16424	16797	19257	54713	14332	26382	11346	10839	24198	12229	9461	0	0	0	23937	14496	0	21403	19070	23476	20019	18709	0	36379	20340	10397	18519	15138	7281	22288	15745	34347	17346	6833	21667	15184	9783	22474	63497	44975	20279	17190	16136	13789	14025	0	11995	21679	5773	15517	10743	14260	16680	19329	11911	14160	10307	12991	9640	22280	18507	26031	6458	19272	0	21134	21838	11837	20425	15302	18993	5621	23565	12635	14551	8355	0	10295	33544	Lipid	0.3846154	1.5	0.038461536
26	C30 H39 O7 N1	526.2799	526.28064	0.035251155	526.27997	11750	6862	10556	8736	6626	3863	5406	13965	5848	10041	19863	4712	7832	4040	9208	10302	8001	0	10369	17951	17265	10936	6351	16476	13848	35024	5109	18030	11479	9368	10651	13745	27556	11934	8412	15938	17719	5735	7860	18365	13334	14472	0	0	0	7777	9329	0	12239	10627	9733	10117	11514	0	8538	8009	6074	12158	8267	5334	17198	8135	3307	3660	3530	7914	17950	10489	28555	25253	32836	12643	6590	9150	0	9838	0	7926	10953	10100	7758	6369	9044	15609	10245	0	16390	7306	10837	13080	10015	9353	17009	9668	9605	0	10940	10505	6483	10263	11333	30457	3301	18444	0	13088	8295	0	9197	5301	Phytochemical	0.23333333	1.3	0.03333333
24	C30 H39 O7 N1	526.2799	526.28064	0.06684556	526.27997	17924	16069	16795	13789	13135	6247	5680	21244	7550	11240	21139	9427	7158	7353	11923	23208	17653	8413	14798	26701	23002	13545	12844	18066	15535	48350	4641	23872	14230	14970	13697	18757	24573	16665	14478	19951	19680	10144	19637	24965	29722	13222	0	0	0	17098	12960	0	16683	16366	16311	16270	14388	0	8013	7124	8181	23086	13234	11914	19446	14544	4643	8735	5696	9746	13198	25563	36942	36857	46014	15168	15984	13821	8902	17495	0	11695	17977	12986	12802	8652	13584	22504	13580	7871	17787	11719	12726	27813	22757	20308	30229	11731	12987	0	17721	15999	9354	6876	7280	27995	7709	25399	6132	22757	7391	0	15606	9342	Phytochemical	0.23333333	1.3	0.03333333
8	C24 H39 O8 N5	526.2871	526.28815	0.24361087	526.2873	3183	3328	4367	3801	3592	1494	0	0	0	0	1185	0	1471	7906	0	0	0	0	0	0	0	0	0	0	0	0	0	16760	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2514	1847	1066	0	0	1040	6247	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	194738	0	0	0	0	794	0	0	0	0	0	351926	146632	0	14044	1369	0	4376	2981	0	0	0	0	0	0	0	0	2413	0	0	0	Peptide	0.33333334	1.625	0.20833333
6	C24 H39 O8 N5	526.2871	526.28796	0.16365205	526.28723	1800	1130	956	1281	0	2275	0	0	0	0	970	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9238	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1253	0	0	0	0	586	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59699	0	0	0	0	0	0	649	0	0	0	145419	55641	0	6969	0	0	2018	0	477	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.625	0.20833333
18	C27 H43 O9 N1	526.3011	526.3019	0.09774017	526.3011	8369	7473	11117	8303	7448	5755	12331	15905	7341	4230	3393	12637	5813	4264	12222	21938	20720	5395	13800	11409	6334	5449	16766	14749	10535	6156	9395	3602	17355	20104	13377	18979	13579	15141	0	26751	16444	9551	16783	0	4911	11947	0	0	0	4689	5255	0	15177	19274	10826	12649	5119	0	8661	9446	5771	14340	4790	8253	20101	1677	5098	5983	6734	3821	9333	16817	6631	4626	8563	6634	14847	17922	21938	17043	0	11584	11732	3341	11232	3021	8123	3154	10652	10168	9260	5228	6814	14709	13369	8817	17664	1537	5839	0	12228	11161	5529	8941	12817	16010	8355	12601	4115	11582	7772	0	11863	4355	Lipid	0.33333334	1.5925926	0.037037037
22	C27 H43 O9 N1	526.3011	526.30176	0.026456853	526.3011	72541	56125	67378	71092	64832	46752	68562	93877	65992	70114	41592	43756	72342	44541	77967	83987	50589	95932	109018	102722	84175	53045	72581	83717	71109	61117	57359	42880	106833	84104	73374	86805	89450	75345	76549	92826	108893	62955	57086	51969	30638	52523	0	0	0	57628	34999	0	80832	71135	66578	55758	61888	0	105367	73986	39217	75415	71950	30917	79579	30552	88835	73758	38230	77587	58063	49985	47942	91177	62461	69517	72689	81004	64167	74910	0	62086	69011	25589	56093	28191	71466	42812	78354	52369	77388	35663	65750	52597	86812	89925	95924	22757	55169	0	68254	78369	45530	65001	68769	116084	51492	82509	40537	70640	70878	0	41993	75615	Lipid	0.33333334	1.5925926	0.037037037
26	C27 H43 O9 N1	526.3011	526.30176	0.027256174	526.3011	28578	25179	30625	23987	35816	23126	16673	33913	35528	31444	20834	10778	43275	23619	28280	25975	11687	37933	53576	45842	33641	27300	26208	33375	31387	28699	14626	23202	39210	24400	30733	30897	43671	34070	53263	32665	46630	18119	18599	30699	12170	20428	0	0	0	25854	10295	0	31440	19948	25852	24065	27288	0	61805	32902	17195	31968	26321	5811	34507	13529	38299	34676	11617	28916	23531	13809	22406	48056	29722	27950	21825	26447	13335	23780	0	24405	25698	9810	20941	11050	20466	19561	33806	25003	24912	14283	19875	14134	43810	41350	45335	7862	17202	0	29823	28218	13184	29366	34648	42664	13732	41503	18660	23416	24710	0	15111	40134	Lipid	0.33333334	1.5925926	0.037037037
20	C27 H43 O9 N1	526.3011	526.30176	0.012364114	526.3011	40469	33305	30418	29051	31390	18999	32565	44204	25286	23014	12498	26353	26276	15676	44202	55393	46921	29603	50785	37280	24299	17433	30892	41348	37669	23999	28660	20768	52505	39386	35201	41799	44324	31270	22181	48145	47391	25645	36373	17339	15940	30733	0	0	0	22943	17042	0	46116	39101	37827	37998	28271	0	43390	31457	19636	43459	26218	19242	47257	12336	34476	28125	16597	32447	20746	37758	19494	27282	22657	27251	38446	49818	47856	43131	0	25435	34280	18383	27152	11230	33804	20890	37977	28272	39034	18678	26530	32911	34358	34467	52414	14094	20094	0	29316	44297	20659	27017	40110	51854	27874	44965	18597	39069	34144	0	28814	32182	Lipid	0.33333334	1.5925926	0.037037037
12	C31 H43 O6 N1	526.3163	526.31714	0.14292683	526.3164	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1096	3100	0	0	0	0	0	0	12803	38832	1637	0	0	0	0	0	0	0	0	0	0	0	1359	1745	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3685	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	874	0	0	0	0	0	0	0	0	0	0	0	3874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.19354838	1.3870968	0.032258064
24	C28 H47 O8 N1	526.33746	526.33813	0.040270213	526.33746	16630	10003	13397	14077	19407	12272	41936	13663	14745	4434	4680	9717	19920	10894	14551	21237	19749	19172	32306	10401	6505	4110	11625	14970	15775	5963	28487	6783	22385	17331	12556	20506	24380	14507	9119	25656	25057	13994	16802	5726	4377	8259	0	0	0	7033	5569	0	17347	14566	12811	12591	13922	0	29979	17631	8553	19910	10140	7617	21981	3449	20518	17985	8773	19492	14421	12985	1879	6006	4798	8581	15020	20365	16251	22460	0	9119	12897	5507	10860	6712	23210	12129	21035	15963	21910	10384	13159	16353	17535	19613	16801	3989	3522	0	14560	13655	10006	13745	19395	29771	6755	11576	11518	16255	15374	0	9738	17777	Lipid	0.2857143	1.6785715	0.035714287
14	C28 H47 O8 N1	526.33746	526.3381	0.16230537	526.3375	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20447	0	4044	0	0	0	0	0	0	0	0	0	0	0	0	0	56201	0	0	0	0	0	1148	0	0	0	0	0	0	0	0	0	0	3081	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1508	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2857143	1.6785715	0.035714287
26	C28 H47 O8 N1	526.33746	526.33813	0.001603523	526.33746	13681	12209	14469	10379	18486	10089	36293	18495	12605	5674	5493	4766	14096	14714	11028	8465	12309	12688	29583	13794	9012	6927	8827	8322	22958	5900	24809	11210	23953	17947	14839	19534	22379	15577	11814	21774	27181	14353	11581	11652	3757	14226	0	0	0	7456	0	0	16490	13364	10579	11190	17596	0	32236	15278	5830	18539	16728	5861	16172	7782	17165	13614	8382	17920	19021	13116	0	5934	4146	9626	16525	28735	6245	17332	0	12687	12040	5120	8053	10120	14701	11280	20409	14238	17124	8004	12066	6865	22436	26172	17393	5157	0	0	12522	18749	7650	14339	19638	24190	9055	25524	11669	11455	16339	0	11424	9972	Lipid	0.2857143	1.6785715	0.035714287
16	C28 H47 O8 N1	526.33746	526.3379	-0.05342335	526.3374	0	0	0	0	3094	0	0	0	0	0	0	0	0	0	0	0	0	21823	0	0	0	0	0	0	0	0	0	0	0	0	0	24424	0	0	0	1683	0	965	0	1386	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1641	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2857143	1.6785715	0.035714287
10	C28 H47 O8 N1	526.33746	526.3382	-0.12087008	526.3374	1258	0	1916	0	0	0	0	3774	0	0	0	3227	0	0	0	2562	3637	0	0	0	0	0	0	0	0	0	0	0	10934	11358	5760	8389	4105	8675	0	8457	5829	0	1552	0	0	0	0	0	0	0	0	0	25564	3482	0	1335	0	0	0	0	0	3136	0	0	0	0	0	0	0	0	1508	2492	0	0	0	5036	5113	3436	8804	7552	0	856	0	0	0	0	0	0	0	0	0	0	4380	0	0	0	0	0	0	0	2830	2266	0	0	0	3850	1460	0	0	0	0	0	0	0	Lipid	0.2857143	1.6785715	0.035714287
12	C32 H47 O5 N1	526.3527	526.35345	0.23369342	526.35284	0	0	0	0	0	0	143948	8447	0	0	1927	28326	0	0	0	16535	0	0	0	0	0	0	0	0	0	0	114316	0	2571	1214	0	0	0	0	0	0	0	4668	0	0	0	0	0	0	0	0	0	0	2457	8754	0	0	0	0	0	0	0	3781	0	0	0	0	0	0	0	0	0	0	0	0	0	2469	0	0	0	0	0	24393	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2418	0	0	0	0	20958	0	0	0	0	0	0	0	Lipid	0.15625	1.46875	0.03125
24	C25 H51 O10 N1	526.3586	526.3594	0.25187933	526.3587	0	0	0	0	0	0	0	0	0	0	0	0	0	877	0	0	0	0	0	0	0	0	0	0	0	6205	0	0	0	0	0	0	0	0	0	0	0	830	1258	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1064	0	0	0	0	0	0	0	6079	20346	3743	0	4254	5527	4896	0	0	0	0	0	0	0	0	0	0	1103	0	0	0	0	0	0	0	1712	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3612	0	0	0	0	0	Lipid	0.4	2.04	0.04
12	C26 H47 O6 N5	526.3599	526.3604	0.18042484	526.36	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	106838	0	0	0	0	0	0	0	0	0	0	38614	11526	0	4006	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.23076923	1.8076923	0.1923077
26	C29 H51 O7 N1	526.37384	526.3737	0.003172141	526.37384	0	0	0	0	0	0	30442	0	0	0	0	0	0	2875	0	0	0	0	0	0	0	0	0	0	0	0	24694	0	0	0	0	0	0	0	0	0	1834	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2378	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3262	0	0	0	1654	0	0	0	2390	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2413793	1.7586207	0.03448276
28	C26 H55 O9 N1	526.39496	526.3955	0.14690578	526.395	6126	5317	4956	4431	1106	2168	5507	0	0	7183	8606	1415	1876	1269	2637	6405	5193	0	1783	0	0	885	0	0	2538	47063	4472	13232	0	0	0	0	1093	1249	5189	0	710	2231	5249	4576	6591	0	1129	0	0	2800	9660	1360	1313	0	6591	4676	872	0	0	1859	2776	0	77195	12663	0	11500	0	0	2717	0	0	3709	36402	15047	14260	1853	0	2319	2894	1206	3203	1758	7104	10516	5450	3167	2320	4264	5600	3583	10064	1724	0	33235	35342	15224	0	1813	0	0	5772	3260	1834	6310	9848	0	1666	43539	160875	0	3243	1359	5756	999	Lipid	0.34615386	2.1153846	0.038461536
10	C22 H22 O15	527.10315	527.1041	0.35007703	527.10333	6622	5007	2075	4861	9378	3975	1296	0	14496	2944	2353	2570	20003	2119	1889	2636	1835	8306	11901	2118	3043	12172	3676	0	0	0	0	0	0	1398	1324	0	1562	0	6544	949	1614	1378	1209	1613	3391	3146	0	0	0	6038	15413	0	1445	1778	4328	3465	6811	0	7234	15218	4314	2351	0	2458	0	1981	24028	13495	4658	11218	2923	2982	0	0	0	0	1018	0	1501	0	0	2059	7776	0	4721	8350	0	0	17031	3605	4963	3662	3530	3279	0	0	1665	12047	6402	0	3745	0	10217	21493	18599	1476	2021	0	0	2072	11641	0	0	20316	Phytochemical	0.6818182	1.0	0.0
12	C21 H22 O14 N2	527.1144	527.1155	0.28051376	527.1145	3040	7758	4853	6437	6850	3363	0	1739	8661	17879	8861	1635	12865	1823	3867	1495	2832	6546	11599	7376	9372	12670	3671	0	0	6716	0	0	1912	1180	0	0	3617	0	21846	0	1695	1013	0	8474	11274	2370	0	0	0	6084	26775	0	1437	1580	3738	5302	4679	0	8600	8624	3968	2309	0	0	0	4073	20612	11668	4666	16114	2918	0	0	8741	10505	0	0	1377	3239	0	0	1033	6309	0	4678	12932	0	2106	12496	3501	2997	3643	5753	0	0	1841	4815	15582	9204	0	5775	2857	9811	13638	11529	0	1652	0	0	2894	8879	0	1097	14429	Phytochemical	0.6666667	1.0476191	0.0952381
28	C26 H22 O12	527.1184	527.1191	0.14696985	527.11847	4885	4633	4370	4625	5820	4652	1912	0	12694	16845	4463	0	17189	4948	3322	0	0	12561	13743	9551	10451	13210	3080	1844	0	4987	1345	2711	0	0	0	0	1315	0	23943	0	1203	2213	0	3519	4386	0	0	0	0	3568	7340	0	0	0	6458	6376	5493	0	12082	11845	2576	1794	0	0	2630	2753	18931	10572	3328	11365	4013	0	3806	10918	9343	0	0	0	0	0	0	1685	5096	8775	5666	4121	2354	2310	13516	5739	5798	1585	2205	1374	1644	3602	3024	12092	20124	0	4150	6811	7657	9571	11607	2182	0	0	4034	0	7690	0	2287	14365	Phytochemical	0.46153846	0.84615386	0.0
22	C26 H22 O12	527.1184	527.11914	0.14889349	527.11847	24063	20852	22908	14959	33742	18707	3370	1734	44492	78673	28848	2856	53114	14412	7374	1705	2943	49576	34007	40111	40694	50560	10674	4751	7384	24931	1753	15848	2284	1250	2076	0	6331	2025	89411	0	5924	7316	2579	20492	19164	7167	0	0	0	30491	36041	0	3177	3273	21255	23889	23834	352	35464	28890	12211	6381	6071	3699	3916	16770	64541	28310	15955	36926	14037	2509	28733	31326	34934	0	1622	0	0	0	649	2178	19004	29968	17498	31425	4860	18925	42986	23943	12813	8102	10891	5150	6455	7512	7985	49545	66673	0	18765	24857	39169	37685	39702	5189	3590	4961	25691	2900	29409	0	6789	54159	Phytochemical	0.46153846	0.84615386	0.0
26	C26 H22 O12	527.1184	527.1192	0.14783667	527.11847	7815	6462	8853	5605	15236	5691	0	0	16200	24744	6356	0	34213	5885	0	0	0	13642	16681	15297	17361	22673	0	0	0	8654	0	3589	0	0	0	0	0	0	33705	0	2306	0	0	5423	4801	0	0	0	0	11484	8258	0	0	0	8558	6434	11370	0	18269	11212	4613	0	2455	0	0	6382	31184	12479	3561	17019	3227	0	10685	14552	15093	0	0	0	0	0	0	0	10908	12464	7282	6241	0	4685	18118	8468	5396	0	3344	0	2076	4898	0	17705	33776	0	7651	0	10108	22212	14611	0	0	0	7114	0	11967	0	0	27374	Phytochemical	0.46153846	0.84615386	0.0
20	C26 H22 O12	527.1184	527.11914	0.17447382	527.11847	37449	32249	31749	32721	47426	27282	5937	6363	57566	118558	46914	3436	95599	19220	8378	6128	5360	62485	55619	69595	52067	89339	20679	7629	8693	45014	6621	35718	3371	1819	5941	7643	11024	2311	180753	2088	15115	10645	4343	57024	30411	13190	1012	0	0	69707	88613	0	3654	4278	33505	35166	32370	0	57833	45571	14074	9587	12834	8098	11260	29189	79867	49989	12129	50392	16477	4270	32111	47703	39272	7357	1461	0	5076	3644	0	6458	25106	48131	21111	53884	8728	31427	58174	30916	23347	11015	15929	8666	8870	28261	8739	88545	92148	0	34957	30560	52822	46438	51934	6227	6400	10072	78309	7725	38837	0	13182	77628	Phytochemical	0.46153846	0.84615386	0.0
12	C23 H26 O14	527.1395	527.14044	0.2436745	527.13965	32884	39285	27343	27452	29431	19311	13130	22604	36560	39614	45398	16866	44074	10559	15303	21231	21934	39691	40722	47175	44613	76707	27466	21759	8348	6734	14172	27022	12615	16147	12535	17282	21319	16620	67164	20534	21918	21375	17467	27036	42496	18781	0	0	0	74869	126170	0	18035	18147	40674	38590	21493	0	37980	28120	13961	22034	15876	24650	20921	31795	122042	34190	12404	40383	18860	19951	0	13131	18287	20744	18679	11869	13680	15466	0	20995	31799	37955	21825	126282	14330	15243	32477	17711	27648	13425	20359	13876	10301	16669	21657	70688	54691	0	41067	32140	35087	24690	30428	25183	21419	24998	105302	19068	27092	0	12105	44002	Phytochemical	0.6086956	1.1304348	0.0
14	C23 H26 O14	527.1395	527.14044	0.22234784	527.13965	127265	130278	117754	120573	104622	94425	55902	76168	183165	260284	110924	52650	212670	42381	93062	70740	50421	167865	159598	182059	195757	336995	89369	93280	37352	29468	47402	41496	53498	61185	63492	57590	98448	71554	343493	64606	79243	80593	47842	159331	132135	57881	0	0	0	347828	452941	0	65506	59304	121609	114033	87933	0	207503	115712	59074	80184	92080	44256	86150	130290	252704	159213	54474	148421	76088	52658	26952	83893	104059	66808	55578	67612	48284	61122	0	58180	96130	96158	74610	306727	45551	74090	109892	73693	96072	60883	68961	63537	58577	100379	122817	301642	256283	0	142235	94220	118860	117832	103989	67708	50412	105252	441938	77759	89144	0	46861	207645	Phytochemical	0.6086956	1.1304348	0.0
8	C22 H26 O13 N2	527.15076	527.1518	0.2470165	527.1509	7983	9386	7017	8670	5246	3199	2549	6607	9413	4951	5387	8617	15347	1603	4945	8575	10775	8552	10064	5316	8757	17744	8373	7441	2371	0	3153	0	0	5983	4505	5732	7504	5291	14671	6983	8292	4561	9547	6024	14967	6012	0	0	0	12645	24768	0	5531	7305	6926	7298	4991	0	13178	6464	4768	6330	4125	11529	7935	6417	16530	9961	4373	9931	5125	8618	0	1300	4066	6190	6880	5001	7098	7002	0	4680	6663	5025	6321	7678	3384	2568	6924	4584	6827	5474	5637	12812	0	0	12874	12320	11270	0	6193	9441	6526	8712	9016	9738	5251	8261	14894	7414	6577	0	2832	15411	Phytochemical	0.59090906	1.1818181	0.09090909
14	C22 H26 O13 N2	527.15076	527.1516	0.20424044	527.1509	15851	23134	21119	17390	14282	12825	11241	18971	18715	18145	9287	11940	28745	3471	18278	16766	18192	23214	25441	19710	20963	44874	21968	21385	9287	0	12764	0	20208	14768	17714	17797	27359	15975	29055	20163	23517	21475	12485	23799	22287	11569	0	0	0	39929	53289	0	17928	12732	19713	19740	12402	0	33503	12445	9041	18442	24653	11038	0	23325	36381	24394	9817	20360	13860	12723	0	0	6853	15461	16047	20305	15305	16922	0	18216	12094	15477	11625	26822	5798	9481	15468	9740	16116	13144	17087	21371	9953	19054	28204	30790	20606	0	24528	15769	11036	13405	10942	24398	18371	19177	39084	24840	12612	0	9474	27224	Phytochemical	0.59090906	1.1818181	0.09090909
12	C22 H26 O13 N2	527.15076	527.15173	0.21563023	527.1509	20103	18266	23254	19993	14112	9577	11814	25982	20001	18348	10471	19812	22242	4333	19252	18781	20006	26369	30839	26886	31578	47999	24171	16471	9721	1589	11818	0	19268	13641	21889	18225	26741	13284	40684	18361	17450	17591	19883	25794	29444	16307	0	0	0	43549	59439	0	13955	19109	21741	19971	14064	0	34456	11094	9095	17077	21061	19993	27181	20422	32766	24659	8086	19309	14573	20369	0	4349	7263	20464	15482	17014	15979	19543	0	14589	18566	0	12214	29361	9662	8833	15582	10181	14832	12993	14069	25997	12627	15033	31489	29407	23652	0	21659	25747	12790	11178	14630	23268	16734	24582	40342	23381	13647	0	12252	36750	Phytochemical	0.59090906	1.1818181	0.09090909
28	C27 H26 O11	527.1548	527.15546	0.13934551	527.15485	6966	6271	6735	5260	11015	4493	1378	0	11623	19876	6983	0	18673	5060	2584	2418	0	12008	10683	10823	14435	8891	4437	2274	0	14112	1616	6376	0	0	1762	862	2294	1021	25563	0	2764	1301	1414	7876	5964	0	0	0	0	5881	8586	0	2747	0	7561	6336	6724	0	13902	11956	3144	2167	1527	1428	0	4299	18218	8569	3449	13043	3758	1387	14164	23091	21610	0	0	0	0	0	0	0	8453	8371	6185	4159	0	4545	13740	5644	3543	1505	2040	2475	2295	3575	3159	11571	19152	0	7691	5119	8420	11875	11051	0	0	0	2966	1856	7282	0	1093	13386	Phytochemical	0.4074074	0.962963	0.0
24	C27 H26 O11	527.1548	527.1555	0.15736353	527.15485	21372	20146	26939	22978	33153	17970	2427	2184	37211	91498	28506	2880	55353	19762	5647	4725	2871	30861	35883	52510	47872	34314	13758	4761	4562	58266	1780	19593	2238	2616	2483	2551	6039	3550	95433	3060	8640	7041	3031	33143	24341	4555	0	0	0	31523	35900	0	3040	3435	22620	15451	17433	0	36705	28874	11430	6103	7641	3263	3516	22522	48579	29281	13248	33980	12424	2802	50343	80478	72343	2829	1707	0	0	1385	0	4831	23504	21782	19941	25470	4966	23417	41008	19187	19406	8217	9449	5306	7597	12306	14533	36488	52280	0	18542	18595	31117	40465	33569	5743	3233	7456	25177	4603	25083	0	4949	50179	Phytochemical	0.4074074	0.962963	0.0
14	C27 H26 O11	527.1548	527.15564	0.16798866	527.15485	15921	19951	9352	13596	10362	6656	3669	4424	9753	58388	25528	5076	13095	6203	3865	10084	5693	8755	11426	22978	25353	15884	8486	8142	5364	29565	3580	15556	0	4801	3986	0	0	3698	53849	4679	4258	5044	4985	18738	24876	4626	0	0	0	16669	24325	0	6147	9067	14150	14668	9990	0	13017	7223	6802	5423	7954	0	0	12658	14143	7916	4576	13459	5070	5181	29387	27049	37197	3823	4389	2320	5676	5335	0	3756	9933	0	11925	14076	8308	12254	9680	5230	11211	3833	6497	10972	8286	6923	5696	17145	17947	0	13633	13132	16189	14282	9271	6524	6138	6856	0	3039	11057	0	6912	11811	Phytochemical	0.4074074	0.962963	0.0
26	C27 H26 O11	527.1548	527.1555	0.110709615	527.15485	13732	9540	13660	12748	20512	6839	0	0	22474	43112	15860	0	33722	12191	0	0	0	29254	19282	32927	25039	23364	6638	0	0	24548	0	10284	0	0	0	0	2818	0	48526	0	2953	3856	0	15624	10538	0	0	0	0	13310	18133	0	2455	0	9932	11411	7061	0	24789	19894	6175	2642	3556	0	0	10790	33764	15619	7005	21261	6608	3296	27249	36620	43726	0	0	0	0	0	0	0	14543	11012	6401	10057	0	10569	28809	15279	10041	5178	6714	3186	4713	6007	7006	21465	34411	0	13563	8679	15916	22345	23615	0	0	0	0	2193	19017	0	2533	32176	Phytochemical	0.4074074	0.962963	0.0
0	C24 H30 O11 S1	527.15814	527.15936	0.34562877	527.1583	7738	8751	8767	8438	3366	32422	0	4665	0	1109	2635	1547	0	0	0	4858	0	1998	0	0	0	0	0	3736	0	0	0	0	2056	2948	2206	7214	0	46303	0	6750	10016	0	0	0	0	5792	0	0	0	0	0	0	8540	3765	7258	6525	990	0	0	0	0	4689	0	0	8915	0	0	0	0	0	0	0	0	0	0	34298	30039	9663	0	5489	0	0	0	0	0	0	0	0	0	0	0	10474	2062	1476	3472	0	1512	0	0	0	5984	8155	0	0	0	5165	0	0	0	4114	0	0	0	0	Organosulfur	0.45833334	1.25	0.0
12	C24 H30 O13	527.1759	527.1769	0.3108086	527.1761	35510	36879	33229	29730	15220	13449	25320	85834	17218	51744	37304	19058	21007	7015	48786	23767	25701	20250	24837	52625	86178	48129	46872	32955	17106	13922	28898	18080	32889	45648	29151	57768	60620	21029	75952	52916	53802	42416	29559	31493	43377	14274	0	0	0	59326	81627	0	53014	60492	39326	31832	15137	0	29006	13824	11070	30240	29430	20383	45446	25164	28084	20724	11248	19412	12358	27263	0	19301	27483	27850	31576	28959	18281	46982	0	44794	30829	19990	27533	45203	41790	24957	36314	13526	27350	9529	14462	27595	18642	22772	57398	34488	76492	0	38580	28903	19150	14744	14807	32477	15149	35751	45267	55200	14792	0	25357	39568	Phytochemical	0.5416667	1.25	0.0
14	C24 H30 O13	527.1759	527.1768	0.19359778	527.176	157780	75807	80340	78211	40339	35355	40814	81762	46695	293270	76569	43530	57270	15570	110338	55496	33063	122610	58506	118302	212746	121698	54526	63687	40540	34409	40377	55036	65138	60123	132414	71183	136538	107896	370506	62340	57523	50538	44632	80987	89187	33796	0	0	0	301946	136632	0	65581	129114	77305	77195	36809	0	73310	33596	26643	63301	71725	36334	79691	132974	69902	45197	26500	48436	39464	43184	38208	44271	38149	69001	110224	128752	39444	121132	0	108290	59713	58138	49968	186424	51414	54434	46820	31854	40673	28029	40045	47067	40727	57602	136760	76053	157394	0	139784	67642	40614	39287	34925	63333	44156	149536	133463	47522	39615	0	39937	54637	Phytochemical	0.5416667	1.25	0.0
16	C24 H30 O13	527.1759	527.17676	0.18154576	527.176	111374	105667	105296	117451	74998	60648	65721	105811	95380	219109	91101	51069	116460	31983	95196	82740	42560	100818	110364	205954	157743	174668	85858	104381	67763	43709	44973	61248	93739	88816	109786	107522	112882	77087	557806	89818	116520	76958	47257	282076	73523	48787	1730	0	0	460242	145283	0	116210	84027	103890	96406	62307	0	120134	54309	37370	87680	241746	32443	105119	91973	130450	87100	33419	85608	60524	44394	51800	85409	59540	102965	91370	108146	46410	79990	0	79884	79636	75566	56307	156921	64483	88206	62655	53526	64491	41347	61053	73414	78534	102195	96943	104547	127156	0	117832	100742	72759	59618	53148	90498	57610	99851	154105	82128	58606	0	58264	108920	Phytochemical	0.5416667	1.25	0.0
8	C23 H30 O12 N2	527.18713	527.1881	0.21091186	527.18726	16401	14281	14430	14558	6899	6613	4738	17417	10978	15443	6879	11043	14585	1637	14283	16607	12139	11612	12400	13056	17169	25855	11143	18181	6769	1408	7141	4645	17859	12390	11351	15390	18216	16026	27004	16891	17026	8801	11988	12418	17444	5413	0	0	0	13782	17782	0	13686	14467	13987	13695	6813	0	15665	6302	5671	12121	13750	9935	13289	7916	18241	12489	5160	10516	9543	15106	0	3511	4173	12844	13865	12430	7011	12495	0	10498	10350	4660	9181	8645	8415	4532	7696	5090	11149	7749	10696	13809	0	21932	25211	9054	14105	0	12377	13139	4005	10026	6859	15312	8236	16773	7076	12245	6897	0	10358	15438	Phytochemical	0.5217391	1.3043479	0.08695652
14	C23 H30 O12 N2	527.18713	527.188	0.10602717	527.1872	32241	32889	30128	28951	16534	19589	25453	46967	21010	38938	12816	17688	31477	7153	36618	36178	20229	37824	35700	42381	36496	68596	36288	48387	34381	2999	20682	9391	39583	33687	38040	45620	54690	33388	54397	40880	45856	30005	17334	41538	18583	20675	0	0	0	51605	25000	0	40393	35176	30567	34086	19468	0	45761	12583	14618	45686	73561	11676	34393	30264	23752	28829	11072	22133	24843	19927	0	10336	7167	43739	28971	40132	19705	32744	0	32593	23700	18327	21799	24540	29556	17263	15133	18735	25162	17533	21607	30980	27306	57458	78109	22621	33646	0	38826	33866	11395	7636	10231	46917	21844	50760	18921	38698	11945	0	25910	33755	Phytochemical	0.5217391	1.3043479	0.08695652
12	C23 H30 O12 N2	527.18713	527.18805	0.1657016	527.18726	26044	30484	32325	25957	12590	13278	27597	48316	19543	41301	13558	17708	24816	5169	30953	28096	19054	27475	29870	41754	36360	61406	30824	30955	30240	4600	15630	0	48682	31111	36822	35871	44428	27914	49930	33885	40211	32372	24501	38456	21695	15318	0	0	0	44118	28708	0	28078	36159	36857	30145	16285	0	36066	16029	13319	40980	60603	15143	28532	28164	28808	20490	10513	22203	24988	23163	0	9289	8890	40855	31382	36774	12757	33943	0	25454	24549	0	25235	20109	24058	16558	11047	13748	26384	15256	19999	34207	24001	47137	72266	21337	26827	0	32264	39060	15407	13146	14315	37048	22017	39978	23914	33066	10534	0	20547	31166	Phytochemical	0.5217391	1.3043479	0.08695652
20	C28 H30 O10	527.19116	527.1919	0.11723712	527.1912	121066	113613	108021	100140	121331	67807	40850	65146	134629	292444	189181	37102	142332	75156	56851	68479	44337	98892	142761	251961	258171	117827	67091	58639	56687	329492	41135	170181	49975	49773	48637	53387	70659	47390	365664	49345	70861	59349	41335	160087	147878	51706	2502	0	0	110127	115881	520	70056	48340	112465	110119	74708	322	120034	96611	60481	67766	52725	40597	74676	107861	149097	97910	52624	122573	64731	44958	238152	395696	378354	53726	52600	42793	44384	44234	0	48283	99780	79912	82439	92655	44559	168874	123758	65573	85537	53043	54358	66884	74881	92842	88595	96204	114391	727	118042	106533	109814	121366	101089	67684	42431	73254	93436	62185	95429	0	62535	138683	Phytochemical	0.35714287	1.0714285	0.0
26	C28 H30 O10	527.19116	527.1919	0.13104846	527.1912	21510	21423	26517	21333	31351	16838	4556	7278	39360	59751	42107	7799	61918	17997	13581	11995	0	31681	37041	51279	50566	18858	19565	11447	9434	62516	4364	28606	0	0	7075	6482	8253	5839	72425	5935	9718	8181	4559	32392	35118	0	0	0	0	27040	22726	0	10385	0	21612	21621	23255	0	38252	36851	15908	7220	8806	3927	11566	23888	44049	30250	11673	36553	15695	7914	73897	92949	103513	7494	0	0	0	4995	0	7116	23608	16740	17870	16862	5157	23974	40146	14902	20051	10213	11059	6503	12157	13376	18672	21515	31624	0	20371	23393	25040	44604	43737	9378	4982	10207	14347	7882	26576	0	7998	42539	Phytochemical	0.35714287	1.0714285	0.0
24	C28 H30 O10	527.19116	527.1919	0.12118611	527.1912	47815	52445	43446	51985	59179	37638	14239	25925	82218	138058	87286	12944	94176	36744	29670	27073	12802	62400	71809	108108	117611	48407	34070	25191	19007	151456	15571	70219	18065	16399	16777	20048	25822	13799	172665	13621	29502	22704	12130	76227	65712	27069	0	0	0	64458	64508	0	21162	15699	52620	51065	47689	0	74894	67492	30708	27206	20050	13864	24242	51699	92698	59577	21980	78133	38521	12672	132001	204661	210686	24565	13251	11068	12196	14478	0	20537	49264	36913	39809	38701	18495	53474	79529	37502	44267	24433	25350	21861	28433	27129	32810	48679	68901	0	42792	48627	56234	67448	68836	24388	14640	30833	42226	26835	55669	0	19132	89414	Phytochemical	0.35714287	1.0714285	0.0
28	C28 H30 O10	527.19116	527.19183	0.08531767	527.1912	11275	8961	8988	7576	12908	6415	1417	2923	15072	27954	12216	2508	27837	7598	2885	6052	3541	12142	14314	20110	20043	11868	6876	6718	3663	29654	3636	12481	0	0	2478	2789	3418	1739	27025	0	4434	3049	2820	13177	12220	3387	0	0	0	8574	12505	1215	3219	4525	8934	6821	10599	0	16729	13287	4881	4468	2302	1876	5334	7520	18030	10567	4443	19137	5924	3150	28159	39073	49744	0	2432	0	0	2142	0	2715	11586	7637	7930	5189	2768	8420	17688	8332	9875	4113	3139	4427	4950	6323	6518	9889	13696	0	9719	7987	11090	18392	19008	3000	1746	3896	5003	4520	10417	0	4546	17694	Phytochemical	0.35714287	1.0714285	0.0
24	C25 H34 O10 S1	527.1945	527.19507	0.41075647	527.19476	5918	5502	12914	13928	5412	6247	3292	15184	4405	10955	3319	0	6534	2978	5133	19164	4704	7461	8755	22518	21774	16120	6373	7316	17922	4975	3397	6766	4271	0	3011	5440	11474	5264	16502	5441	5974	6902	4273	9769	6274	13090	0	0	0	16129	13988	0	15786	4246	5470	5934	3658	0	7062	0	1548	6557	8723	6974	18126	8469	6205	4011	0	6602	4526	4099	0	9274	4392	7608	4166	4666	5858	3303	0	4674	4910	0	3634	18510	14286	5356	5890	0	5228	0	13708	4398	16720	29928	21154	11252	8371	0	5740	0	10492	0	0	16734	4117	8947	10308	11254	0	0	11852	9050	Organosulfur	0.4	1.36	0.0
10	C22 H30 O11 N4	527.19836	527.19946	0.18382485	527.1985	5905	4066	3304	3675	3743	2351	6267	16199	2428	15956	3119	5741	5425	0	8492	7223	3128	4975	6445	16971	9574	10650	6413	9264	5186	0	3191	0	9226	7594	5701	8229	3815	6689	23679	13489	5127	8168	6920	5056	4554	5747	0	0	0	5588	7688	0	11101	7165	7582	8742	4161	0	6728	2557	3137	9935	8472	4238	0	4465	4053	6127	3470	5230	2619	7407	0	5250	2591	7787	5970	10552	7463	12184	0	5824	6616	0	3021	9954	4309	2131	3537	1553	7005	2135	5393	10543	5532	10146	16193	4753	3808	0	7191	8211	0	4123	1152	6525	5076	6224	0	9302	2463	0	4814	5673	Peptide	0.5	1.3636364	0.18181819
22	C25 H34 O12	527.2123	527.213	0.18019074	527.2124	35671	35079	26941	32545	18741	32879	15571	46573	40185	89571	23402	16068	40485	12102	38786	20718	6443	44284	42874	59804	46088	42613	34779	39946	45075	0	11893	16519	44517	30416	42941	31173	42945	27845	98996	38089	47106	24908	11888	46957	0	17002	0	0	0	57336	19857	0	39893	29393	33718	36643	20434	0	68911	23995	14972	30916	47706	7448	28322	25788	44447	30714	9370	28196	20696	11016	0	39458	0	43075	33509	39122	11617	29145	0	28616	22827	12948	21904	25141	21782	14161	17830	18855	20895	12177	21934	10280	31579	49657	45887	17435	32849	0	33655	33672	18553	9481	10209	25058	21507	37896	23380	30056	19477	0	16745	51537	Lipid	0.48	1.36	0.0
20	C25 H34 O12	527.2123	527.2131	0.10604403	527.21234	81968	78633	84217	78772	44305	63366	44165	108089	79884	200487	53938	38367	111613	34695	103197	55661	30312	90054	110630	162898	130600	121279	76106	91404	108830	29035	33116	45123	110929	81762	95394	82315	93093	84198	256409	90744	120476	71082	31522	119753	22362	47663	1748	0	0	130181	35328	0	93556	74362	90617	88401	48979	465	141147	49853	30515	80451	127681	18416	78339	65866	101697	87087	34848	59775	59922	29013	25243	102050	31725	99956	91352	107586	33858	81874	0	80167	57458	28362	55638	59919	65018	56192	45559	47386	49108	36517	49461	30128	84447	130630	111649	48696	63801	0	92349	74822	48476	32800	32227	75143	58649	97276	67012	77831	46100	0	56480	113871	Lipid	0.48	1.36	0.0
18	C25 H34 O12	527.2123	527.2131	0.123114295	527.21234	108011	104508	96697	100499	52120	56993	62685	136644	83676	239648	81151	55245	91384	29428	109791	84770	44373	92512	114118	175406	124598	133153	90045	116570	100842	41155	54911	63856	127829	104158	119057	113669	119371	101398	241408	118084	129645	92184	52233	132054	46768	53431	1139	0	0	149318	62740	0	118666	99930	95571	96776	54092	221	138986	51135	44418	102049	126983	38372	97337	91116	104243	92418	37727	76521	65814	42709	48415	104794	57676	116987	102870	118871	61120	105565	0	75029	75747	45382	77009	86773	79349	79496	48803	51476	63706	45967	63258	46199	107787	127214	134883	58371	86644	0	100972	104432	51051	44855	43711	120567	64297	108208	75363	99607	47129	0	62956	97464	Lipid	0.48	1.36	0.0
14	C24 H34 O11 N2	527.2235	527.22437	0.22311483	527.22363	10950	14719	9831	15170	3627	6756	9795	18532	6577	9732	4642	6317	4646	1824	19653	13298	6586	6471	9405	12206	9899	12945	13587	17385	23638	1485	9154	0	15877	17167	12164	8897	18837	9657	17727	14915	21508	13146	12676	12774	0	5783	0	0	0	13836	6431	0	14203	13554	11984	10631	6026	0	13039	3167	3984	16604	28462	0	0	4445	7997	7681	3927	9324	6038	8701	0	3414	1805	17971	12664	15041	7331	12836	0	14964	10268	0	7271	7534	10115	7193	3224	5481	9858	8653	5201	12249	17340	22303	31430	7793	13339	0	11116	11648	4638	5085	3964	16723	9612	17371	0	14666	4924	0	14342	7292	Lipid	0.45833334	1.4166666	0.083333336
12	C24 H34 O11 N2	527.2235	527.2244	0.22603598	527.22363	10395	6603	6626	9718	3529	5569	10786	16818	4944	10380	4326	6713	4216	2080	12760	10151	9739	6554	7937	13535	9586	15935	8852	16015	13302	0	5348	0	12503	8808	10175	11939	20160	9750	17664	11826	11993	9491	8341	13942	5886	5374	0	0	0	10735	0	0	13271	10775	13275	6542	6267	0	6387	2339	3731	13013	13762	0	17727	6961	7058	6500	2826	5619	6823	6697	0	1747	1760	12102	13725	10775	5519	9036	0	8838	10360	0	4723	5265	9511	6440	3630	4044	11284	3356	6530	14998	8589	25538	16554	0	6715	0	6135	8028	3355	1891	3827	10063	6204	10120	0	12400	3590	0	7195	8633	Lipid	0.45833334	1.4166666	0.083333336
24	C29 H34 O9	527.22754	527.2283	0.11506447	527.2276	124764	131770	130894	129839	144490	103181	47057	95194	153074	271939	186139	54122	199729	94262	88400	94634	55553	137401	185045	297949	260995	123338	107411	97398	77689	356558	49217	184885	79689	70677	72495	76852	97988	71049	332986	80569	113796	67458	57512	207337	142839	62503	2414	0	0	117572	107996	0	86563	75456	138655	129395	103067	0	165381	141394	64910	102406	79398	46884	96518	131711	177970	119564	62118	150656	91853	64314	331323	474512	460246	83177	65476	63336	49678	66757	0	61721	126627	72970	107718	84587	65417	135582	162058	97211	128105	61679	70124	73103	95522	113205	130149	96006	128990	0	125763	123338	126262	151428	155064	83776	52696	101220	81924	92333	119273	0	78236	172291	Phytochemical	0.31034482	1.1724138	0.0
14	C29 H34 O9	527.22754	527.2284	0.117698506	527.2276	13198	7907	9531	9750	3123	1911	10863	9726	6194	7543	5175	6986	4817	4791	6398	14420	16411	2432	6089	9813	12692	6360	8969	10074	6977	10165	11872	10412	8409	9818	7043	9563	6969	3404	8251	9559	8844	8556	13190	7330	9378	5603	0	0	0	5023	6371	0	9772	9341	9353	8645	3259	0	8068	2923	4710	17763	6789	9702	0	6246	4196	2966	4349	5061	7358	15217	0	8962	15093	7616	4070	9468	10137	9062	0	8623	15935	0	12046	6565	11823	7182	8829	5342	14836	3292	2861	21436	7182	12361	12264	6073	5069	0	10777	7387	3538	5950	5277	6086	8947	10496	0	9275	2466	0	11860	3522	Phytochemical	0.31034482	1.1724138	0.0
26	C29 H34 O9	527.22754	527.22833	0.0975169	527.2276	56954	51983	50838	50899	67376	34766	17550	34109	69967	93629	67575	19048	89196	40933	37707	44122	27084	63287	67783	107320	111245	43150	41799	39239	32669	156691	14993	68549	30481	30234	27377	21802	32556	28909	127689	23917	40051	27936	27271	73969	66169	28386	0	0	0	46783	45120	0	35027	27588	55042	54625	44645	0	77018	72374	30306	38088	26600	17754	44729	49573	74465	53718	21676	63332	44351	25612	163564	188135	194395	34465	24751	24300	17990	27745	0	21794	57755	24640	46172	25932	23277	62887	76151	29530	54811	26528	24361	33519	38646	38902	49495	35773	47293	0	55969	55120	53632	84927	89114	33709	23304	40290	27948	30194	52167	0	24782	70036	Phytochemical	0.31034482	1.1724138	0.0
28	C29 H34 O9	527.22754	527.2283	0.07479537	527.2276	13627	13882	14917	13059	20198	9935	6313	8473	20160	28347	19232	4870	35421	12547	8301	8943	8511	16776	22541	26862	25938	12558	12696	11195	7158	50664	6572	23351	7260	8718	8266	6896	11469	8556	33143	6661	9682	7474	7625	20480	21194	5256	0	0	0	16699	11738	0	10063	11305	15001	12877	13536	0	19655	20756	7505	9387	6661	5593	11584	10487	24607	16768	7065	24234	10164	7205	51916	59244	78351	6780	5524	6097	5541	3641	0	5733	19978	11482	13736	7695	7254	15250	22036	12765	15969	5857	8437	7510	9212	14446	16853	10901	13550	0	16467	10648	12487	25893	28191	11988	5579	9830	6942	9539	15681	0	7208	22481	Phytochemical	0.31034482	1.1724138	0.0
20	C29 H34 O9	527.22754	527.2283	0.08992482	527.2276	170164	169076	152416	144074	143417	92197	89656	134968	166344	266230	212746	90565	165284	101112	118416	152198	111910	143179	185679	298723	303336	152846	125723	147301	104808	438057	92634	181701	122847	114339	101872	118635	130353	94697	315991	119075	120019	103929	121692	206072	214453	88929	3036	0	0	131922	147292	0	139842	111791	160401	155879	115245	412	168754	141207	82482	140583	101650	96357	133814	135835	182028	140066	76688	147638	95114	125902	314390	475848	509672	92898	97103	112255	105461	113415	0	86491	181352	113906	143312	88923	104826	209659	174232	100970	184016	89030	100272	161000	132726	154612	183192	115533	135623	715	167030	151079	135539	152674	161217	133384	91034	141264	92851	127620	135819	0	115199	161806	Phytochemical	0.31034482	1.1724138	0.0
22	C29 H34 O9	527.22754	527.2283	0.11817674	527.2276	205466	209823	179106	178403	203697	131248	87611	146936	209245	376101	284763	92201	202970	140333	126592	168368	104498	198964	211832	396580	364933	177431	152569	163047	135625	559465	81572	265304	125715	125853	127798	140664	161281	114603	442062	114113	161230	119200	119909	269157	224768	114835	4161	0	0	183831	149354	0	139945	124068	195733	193398	147321	573	234528	191963	106963	151110	122770	86576	153823	186938	233181	163845	87923	195742	129054	118886	430540	675005	652453	123752	114774	96904	86198	121065	0	109344	198569	117690	160104	120031	118674	204219	232688	132972	191208	99828	117103	164170	162005	194656	196289	136011	188536	0	178985	187096	168340	215939	185606	167533	95300	162009	114882	142723	164140	0	116809	234601	Phytochemical	0.31034482	1.1724138	0.0
20	C26 H38 O11	527.2487	527.2494	0.029295268	527.2487	56646	47847	50015	41920	23107	27806	41233	63917	42691	83563	33954	32445	57847	21022	66071	48819	23709	43635	53374	70050	52370	49773	52748	56891	53608	18459	29040	27603	66900	56232	53410	60430	76217	56325	97632	58845	76026	46173	26359	42423	15437	30825	896	0	0	45742	13772	0	66175	50343	53370	47706	31439	0	66727	29456	23710	54412	59446	17612	52354	27455	53879	48324	25935	38620	27927	28581	12295	40950	16687	56956	64664	75865	28517	50106	0	48926	46016	17565	37360	19812	41448	30286	27409	24483	42374	21526	34126	26568	66937	68787	72596	19479	32470	0	52848	48230	26386	26183	20427	61116	39184	64181	24425	47455	19571	0	31854	104892	Lipid	0.42307693	1.4615384	0.0
14	C26 H38 O11	527.2487	527.2496	0.35993195	527.2489	12112	5775	9197	5159	4095	3859	10837	18105	4533	6397	2357	7965	0	2674	9011	19030	11279	1821	4007	0	4676	7500	6349	8719	9377	0	11863	0	8539	16295	9477	9590	10655	8868	6170	13201	8892	10171	14554	4087	0	2877	0	0	0	2028	5475	0	9700	15220	7661	8010	2259	0	6792	2908	3467	14044	6316	6014	0	0	5925	5148	2904	2866	3029	15769	0	3445	4190	6798	11123	13200	14467	14282	0	8487	5913	36299	7615	6288	9005	0	3143	4557	10435	3672	6547	11799	103449	18397	11549	3100	5049	0	8031	6935	3001	4034	4992	11243	7021	8745	0	11466	3325	0	6963	3932	Lipid	0.42307693	1.4615384	0.0
12	C21 H43 O11 S1 Na1	527.24963	527.2501	0.27855718	527.2498	3145	3749	5185	3332	0	1640	6474	4625	1797	0	0	4325	0	0	4252	4234	8440	0	2796	2877	1404	0	4321	7893	1807	1777	3547	0	3882	5293	4095	4854	6246	2356	2110	6237	5732	4654	6192	2151	0	1224	0	0	0	1575	0	0	5144	6616	3727	2905	1923	0	0	1698	2119	5734	0	0	0	0	1842	1907	1546	0	1831	5832	0	0	1798	2627	3277	7906	5300	5142	0	2975	3734	0	3560	1318	2882	2935	0	858	4827	1150	0	0	27289	6979	4302	0	2801	0	3896	2853	0	936	2014	5017	3256	0	0	3997	1277	0	6045	0	Organosulfur	0.52380955	2.047619	0.0
22	C30 H38 O8	527.2639	527.26465	0.09249613	527.264	213134	215116	193115	200256	224381	127887	134944	182416	210831	249473	237670	128934	198857	134129	166861	234882	182305	187220	245759	347637	321554	179397	179638	204449	165801	475429	132603	240208	171902	151126	146683	189280	209086	143132	287855	189981	204570	150348	196498	228902	233597	135092	4010	0	0	160242	150365	0	173303	170508	209147	215518	177549	443	233658	215045	134302	201521	147607	148572	194409	167131	222445	178717	108275	187278	144587	203666	392353	507368	555703	136253	131021	149692	156612	158500	0	128586	282000	142060	219261	115017	151277	181005	254930	166279	295519	126591	129507	218546	196305	212853	240202	145524	194706	0	199041	207654	184897	254546	237934	225812	136166	207410	112404	181301	202668	0	171920	220434	Phytochemical	0.26666668	1.2666667	0.0
16	C30 H38 O8	527.2639	527.2648	0.14517717	527.26404	10507	7582	10578	12059	4421	3331	8267	12011	7400	6782	6859	9301	7006	4757	8405	13827	15632	0	5564	8011	5226	5594	8965	7748	13181	8705	14078	4179	6858	6922	7829	14662	10522	4958	8943	12820	9747	10444	22532	4811	7832	2624	0	0	0	3697	8828	0	10423	8696	8542	10881	6508	0	8897	6680	6867	14286	6701	14707	11077	1985	4949	6018	4755	1838	4774	20524	8576	9615	9505	4441	5138	8020	18144	8657	0	7619	17823	6682	13094	6195	13892	6703	6652	6035	22666	3061	5498	0	6179	4574	0	1957	8359	0	16569	10311	4308	14195	12777	11903	11632	9229	3529	0	10124	0	16193	2846	Phytochemical	0.26666668	1.2666667	0.0
24	C30 H38 O8	527.2639	527.26465	0.12050232	527.26404	225011	221032	220651	219083	262959	151834	117482	191389	233665	333614	284321	114157	284658	141897	155657	212856	146395	212689	303670	418032	373265	191255	182901	214979	158241	602611	115599	306913	175573	168738	158841	170556	212057	145033	402433	188478	233203	147072	161429	295567	244019	117773	3995	0	0	194487	156488	0	187019	164045	222532	228257	203473	0	289934	238288	125963	206516	171341	111363	224186	203408	271795	221383	101718	235387	154258	166586	495717	671457	655846	146161	143753	148677	123126	150493	0	129452	268040	145936	207016	121876	146809	223246	299097	172832	251353	115147	156046	187879	211733	218697	240905	163293	206870	0	222811	221912	180696	269350	287277	222740	114791	231285	128067	181132	225918	0	159528	255834	Phytochemical	0.26666668	1.2666667	0.0
26	C30 H38 O8	527.2639	527.2647	0.123476215	527.26404	116150	116121	111982	108418	136667	76732	45628	119006	134681	150656	146123	59271	177686	83982	99015	122080	67220	118767	166839	226270	204419	100648	101721	117156	107723	322679	51759	154591	99511	90282	92109	90809	103660	75619	203556	107880	128792	76732	71770	152946	129746	81661	0	0	0	111175	84724	0	86012	91465	114669	118787	106857	0	173049	175637	68366	113151	82792	55906	125276	89544	149049	105826	48847	129657	84058	79022	302834	338591	323034	80345	69627	95655	62818	84338	0	67892	138152	93124	96633	67378	79571	117076	168496	95403	131798	63426	71512	79956	91971	113144	135815	104188	113139	0	110799	127330	97213	182395	187985	122313	50944	117594	74861	86613	122170	0	78138	128166	Phytochemical	0.26666668	1.2666667	0.0
28	C30 H38 O8	527.2639	527.26465	0.073454335	527.264	24116	22015	21720	22106	31642	13885	14799	20422	27323	26782	27907	10007	41848	20256	12486	23092	15389	18148	32522	35151	33323	26827	17288	21554	17025	71076	14225	30538	16880	17546	15023	14314	25453	15294	36784	20371	20890	13561	16038	27229	26240	14134	0	0	0	20915	19385	0	18877	17624	24919	23334	22298	0	37205	36575	13187	18782	13937	8821	22802	18723	28712	23190	12140	33325	16122	14568	62673	63982	87925	10242	10297	16331	6856	12842	0	11038	30771	46768	20075	17401	13993	24714	38758	18096	42150	9666	14611	22357	18654	21358	21201	62799	24379	0	22785	20675	19739	55760	60605	24872	9037	21010	19699	18132	27886	0	14210	26063	Phytochemical	0.26666668	1.2666667	0.0
20	C30 H38 O8	527.2639	527.2647	0.07364186	527.264	114119	113776	116556	101567	110908	58508	83150	110538	102690	100667	94071	79176	111448	66037	98061	128110	133615	74005	122663	161946	135747	89991	91728	120830	83764	191657	86810	87786	85007	87452	76167	95001	110952	62652	117786	94904	97509	87173	135447	98971	132997	57726	2141	0	0	75235	89554	0	97420	96464	111375	115316	85149	416	116122	117121	65686	114503	75402	88412	107067	66704	99758	96290	61960	94677	75308	145090	154932	201793	262217	54475	74239	92901	116563	83546	0	74379	159586	68932	114224	55858	84672	105915	127681	82110	167991	61970	71311	147682	109452	103825	129721	73562	88631	0	111851	100806	93243	161724	147902	115768	71033	99661	53500	103056	111506	0	103676	100676	Phytochemical	0.26666668	1.2666667	0.0
8	C29 H38 O7 N2	527.2752	527.27606	-0.023566773	527.27515	1017	863	1173	1474	0	0	0	0	0	0	0	0	0	0	0	3696	0	0	0	0	0	1978	0	5503	813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1406	0	0	0	0	0	0	8211	0	0	6703	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29182	0	0	30296	0	0	0	1534	0	0	0	0	0	0	0	0	11522	0	0	0	0	Phytochemical	0.2413793	1.3103448	0.06896552
16	C28 H38 O6 N4	527.28644	527.2865	0.03485011	527.28644	0	2408	0	0	0	0	2147	1858	0	0	0	0	0	0	1646	3061	2106	0	0	0	0	0	0	0	0	0	1917	2862	3113	2108	2365	0	0	1671	0	4119	0	1734	2847	0	0	1938	0	0	0	0	0	0	0	2540	0	0	0	0	0	0	877	0	0	0	0	0	0	0	0	0	0	3599	0	0	0	1804	2821	2638	3341	2183	0	1217	2059	15384	0	0	1015	0	0	0	0	0	0	0	88563	12494	0	0	0	0	2050	0	0	1141	2045	3154	2368	0	0	0	991	0	2906	0	Peptide	0.21428572	1.3571428	0.14285715
12	C33 H43 O2 S1 Na1	527.2954	527.296	-0.14851612	527.29535	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6020	0	0	0	0	8301	0	0	0	0	1558	60638	0	0	0	0	0	0	0	0	0	3491	4094	0	0	0	512	0	0	0	0	0	0	0	2688	1500	0	0	0	0	0	0	17302	27728	0	9389	1751	0	0	0	0	0	42092	4504	0	0	0	0	0	0	0	0	0	58688	0	0	0	0	0	0	0	0	0	0	2588	0	0	13615	0	0	2220	0	3006	0	0	2028	0	0	0	0	0	0	0	0	Organosulfur	0.060606062	1.3030303	0.0
28	C31 H42 O7	527.30035	527.301	0.058914453	527.30035	26929	29255	27717	26117	37604	15514	31046	32531	36932	22553	31161	13910	35020	20217	21041	23005	22618	26307	50102	37803	30028	25219	24691	26998	36442	64846	30608	35929	39599	30549	25627	33136	42908	24099	31969	36762	39142	24013	22397	27388	25352	20334	0	0	0	22924	12505	0	28245	31228	27618	29861	26941	0	49304	43364	17764	32661	26306	13734	31317	21666	31756	28872	16285	32194	21397	27718	46307	48891	45197	18715	19084	31036	10277	22743	0	18822	39742	25951	24826	18320	33725	28975	54963	26501	43445	14257	20039	22479	26131	33121	33633	30264	15929	0	29633	26679	25425	66427	77237	43610	17432	38683	23418	29833	38410	0	23461	25612	Lipid	0.22580644	1.3548387	0.0
24	C31 H42 O7	527.30035	527.301	0.06496526	527.30035	120612	129110	114705	111073	138477	69547	99797	112594	136564	109736	128776	72557	130510	84900	104750	139244	125961	110344	177216	157632	132481	91079	97879	117089	106659	216082	95346	134772	104712	110304	95052	115046	138234	82637	132615	135856	138040	97193	139853	122344	120852	75380	0	0	0	80468	69028	0	114210	107742	133536	116987	107228	0	176358	142395	85989	138597	96078	74342	128521	82603	123254	113275	76898	113340	93596	149626	162282	202243	219214	71574	78849	96811	103821	106117	0	80004	145025	77609	103636	67587	110071	103814	175663	116430	157259	70856	92894	139849	119404	121263	148913	85484	83299	0	122955	116331	100474	167268	183968	165771	69679	143835	61897	111476	151391	0	112157	107554	Lipid	0.22580644	1.3548387	0.0
26	C31 H42 O7	527.30035	527.3011	0.08590173	527.30035	118377	121666	111334	103341	143353	80518	78823	133022	155229	108505	144194	61672	140319	89705	124612	130158	112926	122262	203170	188032	149587	103388	99912	104515	117456	265385	88409	166888	130733	125642	107482	124433	144877	83601	139501	145969	147774	94924	104081	138076	109398	89039	0	0	0	87163	64008	0	109448	107124	125990	103571	113087	0	205314	180587	93688	123785	116491	57239	117384	98931	133752	128383	65008	111994	111117	111206	208991	225524	204319	74817	92252	128401	93829	108474	0	86998	144281	98394	106020	67907	114307	130050	203947	125766	148561	77427	92821	96295	114562	129244	138491	90353	98967	0	117010	128048	108131	201025	202963	177893	74489	152017	86577	95648	159415	0	106374	109165	Lipid	0.22580644	1.3548387	0.0
22	C31 H42 O7	527.30035	527.301	0.033560853	527.30035	57692	62183	54098	61137	50011	33176	60317	57564	62634	42790	47475	39174	44958	39326	58241	77064	103750	36560	69552	60826	47796	39027	48493	49831	51106	74057	61261	55907	58278	57398	48071	63099	74672	39975	41140	68722	58320	53517	101733	41140	47527	40420	0	0	0	29890	32149	0	64165	57622	61314	57994	55966	0	86772	72638	49744	66037	47013	45488	59937	31105	53368	57385	35537	48768	43442	112200	60245	78330	85316	29368	36810	53378	81980	55865	0	36040	80748	37341	61525	32982	53474	39659	88174	60097	88096	34192	45178	97176	62555	68384	65833	39394	44477	0	56249	59788	49662	89824	89296	92313	40057	68753	29182	59169	67118	0	63594	56456	Lipid	0.22580644	1.3548387	0.0
20	C31 H42 O7	527.30035	527.3011	0.1281065	527.3004	14968	14324	16052	19211	10096	6557	20448	12097	15282	8514	7507	11117	6187	8030	17546	23110	38663	7546	13375	15909	3844	13093	14837	13918	18872	12870	21568	13498	14025	18776	17494	17189	21883	8309	8308	17641	15811	19288	42963	6199	10524	10509	0	0	0	6610	9290	0	16484	15105	15527	17669	9280	0	18670	19030	15457	14602	11350	17517	15750	8016	9402	13515	9591	12543	9478	41320	9572	10975	17466	7260	9066	15884	28712	16758	0	10624	32254	6387	19825	6296	15205	7718	24132	13909	40401	6405	8021	38052	14549	15543	18052	8914	9220	0	14367	17377	10787	24852	35496	21945	12749	15581	6706	16497	18938	0	22799	11111	Lipid	0.22580644	1.3548387	0.0
6	C32 H46 O4 S1	527.319	527.3196	-0.15846312	527.31885	0	0	0	0	0	843	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	62801	0	0	0	0	0	0	0	0	0	0	20861	7818	0	2175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.125	1.4375	0.0
10	C32 H46 O4 S1	527.319	527.3192	-0.16676871	527.31885	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12246	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35777	0	0	0	0	0	0	0	0	0	0	58318	10784	0	2423	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.125	1.4375	0.0
24	C32 H46 O6	527.33673	527.3374	0.041423142	527.33673	30048	26549	23587	24015	9546	10373	23458	13201	14267	4315	13071	14550	5285	8731	13288	79719	460045	5471	22749	6123	4996	3614	11098	11155	20422	9900	34363	7527	20153	16189	9331	32448	23843	9481	5688	26270	20208	15467	685714	5132	14915	18347	0	0	0	3910	9172	0	22857	15060	24569	28423	11264	0	18064	26306	11046	108502	10273	11662	35639	2809	7073	12720	12452	8592	12898	881127	5003	7351	27207	2850	9056	14889	23592	19528	0	10023	25213	7554	17948	5919	14984	5384	23791	27798	49903	14402	10082	50111	13943	15122	21183	7535	7998	0	26208	24570	11264	41577	40527	31162	12447	15214	3784	46946	19989	0	23412	5666	Lipid	0.1875	1.4375	0.0
28	C32 H46 O6	527.33673	527.3374	0.05228947	527.33673	15095	12180	13005	11735	11140	10232	21253	13022	11941	3143	11890	9362	10061	6422	11433	26258	23291	5512	22627	8210	4454	6755	8805	8521	20892	20109	19330	14354	27015	17085	14348	23251	26717	11456	4846	26998	22160	14661	26922	5781	6924	11156	0	0	0	6330	2529	0	17540	12368	14238	13289	10023	0	22086	25025	8069	47523	13266	7662	22445	5117	7488	11244	7130	11719	16128	35306	15598	8480	8643	3923	9311	19057	7827	14414	0	11412	18224	14275	10275	7522	16273	12008	28050	15286	38398	7698	9421	17486	13132	15376	12108	12280	6446	0	13029	13021	12132	41875	47946	38396	8614	16669	7910	26832	22667	0	15928	6147	Lipid	0.1875	1.4375	0.0
26	C32 H46 O6	527.33673	527.33746	0.024725074	527.33673	71656	70327	68200	67324	26359	28318	45892	58495	35379	11264	23754	33838	19181	21977	28500	423938	204636	14031	92246	17158	10585	18797	22410	29375	59065	41336	67256	31183	126015	43180	44151	115180	119029	37549	15383	112324	90894	31632	262515	18463	31372	90210	0	0	0	9999	11716	0	65661	34696	75306	68793	32284	0	43532	52874	27271	1722770	23841	23390	191755	16104	18422	24943	22296	24316	47935	354472	30279	30488	52437	11971	16710	41674	50527	80979	0	33581	48850	26411	24141	13586	28174	23756	55758	64684	83891	23784	33983	60998	27274	32039	44322	17824	10921	0	65130	70542	24816	62520	74494	189184	29497	32916	13232	280204	37281	0	50428	14807	Lipid	0.1875	1.4375	0.0
22	C32 H46 O6	527.33673	527.3374	0.11572341	527.3368	2376	3680	3669	6114	0	1595	4385	2571	1654	0	2075	2937	2142	0	3526	18537	48700	0	3731	1820	0	0	1207	0	3302	0	9648	0	3321	5566	2687	3711	3609	0	0	3385	3802	2128	64511	0	0	2447	0	0	0	0	0	0	2374	3242	3890	3824	2470	0	3320	5034	2790	22178	0	4003	3458	0	0	1812	1458	0	1653	91978	0	0	3003	0	1116	3036	8228	3431	0	2282	5737	1285	2717	1659	1130	0	4193	5961	12219	2826	1522	16698	1895	4287	3473	0	0	0	6339	3942	4513	15032	11829	7012	2154	2935	0	3989	4651	0	5516	0	Lipid	0.1875	1.4375	0.0
16	C21 H21 O15 N1	528.0984	528.09937	0.23959944	528.0985	12406	7606	5803	7096	22083	9630	0	0	23183	0	5246	6024	50851	4842	0	2283	1932	26820	22500	0	9153	17700	9764	1494	1394	0	1347	0	0	0	1549	0	2609	0	3168	1369	0	1195	0	2453	7736	9935	366	0	0	16534	48594	0	1767	1601	5237	8404	11759	0	25034	34611	7510	0	1709	3476	0	6901	48404	20222	9056	20331	8461	2346	0	0	1608	1296	1320	0	0	0	0	2055	6190	22579	3551	20051	1016	0	32485	7895	2220	9244	6029	0	0	2606	0	29198	15636	0	10417	6241	23489	29237	31895	2017	2274	0	50145	0	23892	0	0	33804	Phytochemical	0.71428573	1.0	0.04761905
22	C21 H21 O15 N1	528.0984	528.0993	0.15940297	528.09845	0	6856	7820	6054	17952	13660	0	3524	20984	6157	4830	4818	44850	0	4918	0	0	31192	9934	0	14624	17608	6422	4296	0	0	0	0	0	2306	0	0	0	0	9932	0	0	2738	0	3233	8249	9414	0	0	0	28804	70524	0	0	0	8762	11618	8956	0	16952	27308	4580	0	0	0	0	10006	24584	22816	10268	10888	6888	0	5656	2579	6340	0	0	0	2512	0	792	4118	3240	17176	3718	22948	0	1869	28524	12198	0	5082	7324	0	0	0	0	33266	15230	0	4568	8690	27836	14900	22880	0	2294	3142	65226	0	22402	0	0	33578	Phytochemical	0.71428573	1.0	0.04761905
14	C21 H21 O15 N1	528.0984	528.0994	0.27548802	528.0985	5422	9981	3318	3896	11683	4428	0	0	20547	0	6895	2184	33790	3869	1637	0	2769	20979	21692	0	9565	18806	5749	0	0	0	0	0	0	0	0	0	1397	0	4292	0	1727	1896	0	0	9324	5194	0	0	0	11313	39631	0	0	0	4531	0	10168	0	22801	28167	6804	0	0	0	0	6100	29036	20728	7160	20500	5217	2535	0	0	0	0	0	0	1385	0	0	2152	3705	22106	1595	14807	0	0	34252	6136	2661	4890	6435	4833	0	0	4733	28646	10407	0	4190	8030	19655	25551	28637	0	1816	0	33257	2773	27075	0	0	28669	Phytochemical	0.71428573	1.0	0.04761905
20	C21 H21 O15 N1	528.0984	528.0993	0.207113	528.0985	4934	4811	3703	2576	11806	7343	0	0	11989	0	3009	1208	42016	0	3083	0	0	11955	12205	3719	8322	11633	6551	0	0	1758	0	0	0	0	0	0	0	0	2866	0	0	2311	0	3439	5314	5313	0	0	0	11517	43573	505	1604	0	6390	4918	9263	0	14360	17602	5610	0	1634	1974	2469	6585	17404	13857	4769	10703	6916	1316	0	0	0	0	0	0	0	0	0	1562	3305	15965	2014	17410	0	0	19025	5856	2464	4947	3391	0	0	3180	3253	19242	6553	0	6462	7758	12019	8395	16918	0	1203	0	41453	2078	10039	0	0	28250	Phytochemical	0.71428573	1.0	0.04761905
28	C21 H21 O15 N1	528.0984	528.0992	0.13406089	528.09845	9878	7870	9788	6390	14124	11784	0	0	19148	7016	5276	2074	28624	4142	0	0	0	20966	13216	12368	16014	15200	0	0	0	0	0	0	0	0	0	0	0	0	12322	0	0	0	0	7210	9546	0	0	0	0	23922	76868	0	0	0	6820	8312	11438	0	13274	11530	3360	0	2670	2662	0	13782	26418	13774	5006	7650	6594	0	7750	0	5962	0	0	0	0	0	0	2488	5052	13798	2784	25154	0	1270	18232	4866	2166	3116	5210	0	0	2608	0	20914	12120	0	7856	11526	13700	7360	5830	0	0	0	59210	0	11612	0	0	29834	Phytochemical	0.71428573	1.0	0.04761905
12	C21 H21 O15 N1	528.0984	528.09955	0.34484395	528.0986	3058	3153	3186	2226	9654	1804	0	0	10645	1456	3322	2145	20070	2190	0	0	0	9927	12924	0	8053	6848	1255	0	0	0	0	0	0	0	0	0	1626	0	3647	0	0	0	1980	0	4097	4759	0	0	0	4456	29801	0	0	0	1857	3559	3449	0	11004	16250	3960	0	0	0	0	2561	26484	8879	3314	12807	2807	0	0	0	0	0	0	0	0	0	0	0	1242	0	2128	7491	0	0	15474	2309	0	2653	2896	0	0	0	0	12455	3908	0	2980	2578	14203	14943	17461	0	1595	0	0	1353	13574	0	0	16643	Phytochemical	0.71428573	1.0	0.04761905
24	C21 H21 O15 N1	528.0984	528.09924	0.12565103	528.09845	3366	1065	4012	2991	6421	6711	0	0	9607	1507	2119	1404	18488	2488	2180	0	0	12666	5835	1934	5984	8594	0	0	0	0	0	1315	0	0	0	0	0	0	1737	0	0	761	0	1978	4389	1629	0	0	0	8758	34415	0	0	0	3373	0	3462	0	10240	6689	2326	0	1432	0	0	4301	10246	9364	2288	3877	3833	0	0	1358	1731	0	0	0	0	0	0	1191	0	5542	889	14945	0	0	9460	0	0	1579	2953	0	0	0	2381	8319	5484	0	3569	3392	7327	3860	4236	1516	0	0	26389	0	5947	0	0	14983	Phytochemical	0.71428573	1.0	0.04761905
26	C21 H21 O15 N1	528.0984	528.0993	0.21297063	528.0985	3136	4497	2617	3704	6405	7223	0	0	10203	0	0	0	15313	0	0	0	0	13436	8718	0	0	13594	0	0	0	0	0	0	0	0	0	0	0	0	3788	0	0	0	0	1951	3699	0	0	0	0	12631	34636	0	0	0	5428	3161	4620	0	10189	0	3001	0	0	0	0	3445	11822	6186	0	4362	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12301	0	0	6895	0	0	0	0	0	0	0	0	5841	0	0	3409	0	5806	3953	0	0	0	0	29194	1564	4308	0	0	19524	Phytochemical	0.71428573	1.0	0.04761905
12	C25 H21 O12 N1	528.11365	528.1147	0.23973307	528.1138	2291	2715	0	2522	3039	1002	0	0	6807	11376	7300	0	7980	1823	0	0	0	2685	3338	5732	5339	9579	0	0	0	2642	0	0	0	0	0	0	0	0	22839	0	0	0	0	4319	6649	0	0	0	0	4034	7669	0	0	0	3033	2251	1346	0	4914	5060	1140	0	0	0	0	4331	8619	4944	1138	4210	1644	0	0	3263	7889	0	0	0	0	0	0	0	1931	0	0	4451	0	1866	3046	990	1998	1081	1661	0	0	0	1889	13128	7795	0	0	2853	3881	7715	6101	0	0	0	0	0	3736	0	0	6068	Phytochemical	0.48	0.84	0.04
26	C25 H21 O12 N1	528.11365	528.11444	0.09863699	528.1137	4882	4358	5007	3998	3378	5178	0	0	9545	18674	5390	0	10283	2078	0	0	0	9620	8760	6428	10911	15496	0	0	0	0	0	2039	0	0	0	0	0	0	19967	0	2553	0	0	7688	5805	0	0	0	0	7226	12445	0	0	0	5321	6461	2259	0	9075	6176	0	0	0	0	0	6928	14479	7856	2362	7608	0	0	5458	5934	7076	0	0	0	0	0	0	0	2784	9566	0	4978	0	4342	7879	0	5096	2497	0	0	0	0	0	15584	32670	0	5445	0	0	5548	5254	0	0	0	0	0	0	0	0	11279	Phytochemical	0.48	0.84	0.04
16	C25 H21 O12 N1	528.11365	528.1145	0.21170327	528.1138	11397	9095	11527	4975	13051	4703	2269	0	19084	46575	23438	1904	24087	5117	2817	2655	0	19826	16006	21176	30565	34129	3494	0	1845	12008	1073	7805	0	1442	0	0	0	0	60930	0	2387	3195	1760	16274	18805	2204	0	0	0	19565	29910	0	0	0	8949	10930	8682	0	17725	17177	4457	1509	0	2178	0	11365	27247	18695	2699	18184	5039	0	13136	18022	17969	0	0	0	1631	0	0	1103	6207	31901	3970	18983	1950	9498	10632	5081	8745	2547	3068	0	0	5190	0	36459	49243	0	8870	14004	12313	17921	17111	2938	0	0	16856	0	9616	0	2115	19124	Phytochemical	0.48	0.84	0.04
20	C25 H21 O12 N1	528.11365	528.11444	0.12394844	528.1137	16572	16127	11669	6336	19488	9692	2668	2145	22880	59434	20782	3248	38553	4493	3383	2699	3011	27117	26753	25548	44343	51933	3958	5501	6099	8921	2230	8110	0	1313	0	4118	7909	1668	55554	0	5440	2956	1802	25164	20092	7770	0	0	0	26914	39055	0	0	1306	15378	14243	12465	288	23058	16518	6963	4792	5384	2972	5400	26866	34712	20802	10913	26933	4690	2845	14771	12435	20423	0	0	0	3290	0	0	1919	9954	37533	4921	28138	2518	13122	21566	9837	9814	2966	5766	8262	9553	10381	10218	46658	62865	0	16704	14563	15261	13949	18477	4441	1375	8303	30788	6937	14383	0	3830	37425	Phytochemical	0.48	0.84	0.04
22	C25 H21 O12 N1	528.11365	528.1144	0.20603141	528.1138	6897	5443	12805	9014	11392	8178	1625	2087	17740	39695	9065	0	19089	0	2197	0	0	14556	11556	16849	29291	32098	4938	0	1687	4351	1097	9500	0	0	1596	0	2998	0	35089	0	2046	2985	0	15389	15605	3251	0	0	0	17666	31094	0	2476	1284	6660	10824	5261	0	14636	10776	5151	3065	2453	3053	0	9519	34317	12384	6794	13108	6108	0	9049	7242	9865	0	0	0	1051	0	0	0	7959	19296	3667	16484	2787	14128	16653	8617	6583	4359	4818	4111	4356	4249	4275	36438	47725	0	6729	6781	12222	11895	16249	0	0	3056	14050	0	9295	0	3988	24273	Phytochemical	0.48	0.84	0.04
18	C25 H21 O12 N1	528.11365	528.11444	0.1760647	528.1138	11310	12265	10384	13944	11963	6067	2766	1586	22339	62037	25020	1383	35652	9699	1836	5655	1636	16616	17433	32058	42504	46488	2380	4756	2076	12721	1784	8742	0	0	0	0	3620	0	75871	0	2685	2759	2019	27197	22726	3734	528	0	0	25410	36601	362	1784	0	11094	11372	9235	0	26980	17144	7132	3929	3003	2256	2281	16734	40181	16940	5682	17742	6178	0	21060	12051	22317	0	0	0	2034	0	0	1169	12103	39167	5264	24747	3890	16344	23623	10863	8172	3685	5217	3162	8470	8796	6632	55682	69342	0	11307	14312	22144	20122	15481	5654	1941	2943	22863	3194	11866	0	4696	30303	Phytochemical	0.48	0.84	0.04
24	C25 H21 O12 N1	528.11365	528.1143	0.12008199	528.1137	5627	5390	5478	4677	6655	5677	0	0	8523	24299	7750	957	14048	2883	1377	0	1422	13537	12719	9751	17326	23551	4043	1365	1259	1915	0	2671	0	0	0	0	2063	0	21162	0	2206	1980	0	7055	8685	0	0	0	0	14116	15476	0	0	0	4134	8193	4314	0	10212	8396	3175	2774	1823	2046	1985	4956	18474	8969	4297	9486	3268	0	4516	5541	6308	0	0	0	0	0	0	1481	3575	14837	2997	11823	1197	3979	8223	3863	3929	3625	2817	2253	3779	3309	3320	26123	38254	0	4492	5790	6805	6752	7325	1434	825	0	11679	0	8959	0	1493	14985	Phytochemical	0.48	0.84	0.04
14	C25 H21 O12 N1	528.11365	528.11456	0.16858116	528.1138	9273	5873	4624	5587	6440	2882	0	0	10206	29122	16138	0	14863	3624	0	0	0	7801	6412	16633	19167	26750	2719	0	0	5147	0	8624	0	0	1388	0	0	0	36614	0	1865	0	0	11493	17152	0	0	0	0	7787	21490	0	0	0	2907	3104	3283	0	12749	8545	3447	0	0	0	0	8900	19453	7692	1909	9767	1730	2506	0	9548	14066	0	0	0	0	0	0	0	3100	0	2754	11266	1219	3420	13503	4058	6681	2804	0	0	0	3004	3311	28656	23711	0	7546	5412	7240	11883	8679	3694	1430	0	0	1642	5303	0	0	6764	Phytochemical	0.48	0.84	0.04
28	C22 H25 O14 N1	528.13477	528.1355	0.14275458	528.1348	8839	7653	8046	7428	6697	8945	1079	3173	5475	15405	6521	1724	9333	2298	2810	0	0	12316	9257	19704	25293	10141	0	0	0	0	0	1729	2117	0	1724	1581	2406	0	14232	2405	2781	1653	2026	9683	13616	2685	0	0	0	51503	87665	0	2183	0	6854	6658	5858	0	7100	5239	1849	2177	2689	2447	2440	14195	9503	6275	2049	3600	3356	0	6829	8220	12132	2528	1898	2941	0	1504	0	1899	2436	8488	2361	37943	0	4654	8370	3756	1256	2072	3381	1582	1966	3682	0	12166	11019	0	6690	6539	7728	3589	4642	2172	1894	3699	57778	1774	8933	0	0	11308	Phytochemical	0.6363636	1.1363636	0.045454547
10	C22 H25 O14 N1	528.13477	528.13574	0.21704017	528.1349	17853	18558	13497	16296	18838	6981	6804	9599	23383	24506	16787	11414	39686	8390	11199	15087	15073	38004	30657	22325	42051	31005	14720	11458	2707	2063	7866	3102	5338	10401	7578	8286	13662	5802	31809	9998	9580	9006	13413	15693	30526	14100	0	0	0	38563	85346	0	7331	10711	15776	18963	13421	0	33581	26305	10762	8309	6074	17030	13182	14935	38655	25692	11824	22474	11981	11876	11285	5045	11589	6820	7325	6725	10957	7387	0	8163	15220	25150	12295	27273	3769	4910	34047	14825	10545	10760	11992	12418	0	5726	17978	38588	31486	0	18530	25189	28894	20301	28834	12705	8462	13438	68975	11892	27044	0	4809	31696	Phytochemical	0.6363636	1.1363636	0.045454547
12	C22 H25 O14 N1	528.13477	528.1357	0.20156087	528.1349	30692	36541	35025	30888	41567	19819	12256	19856	51874	44116	35359	17945	72171	12937	23249	26783	28405	71954	60491	50381	78408	86550	32823	29877	6970	5543	8902	11527	18666	20618	15055	15647	26600	13399	56634	17130	21955	16546	20632	30372	58583	27086	0	0	0	109831	207615	0	13219	23772	35136	33357	29645	0	66490	48209	23337	18331	20969	19748	15721	51861	79789	49346	20119	54890	31915	28978	30668	9656	19096	15637	15810	13281	19510	17153	0	17492	25739	59682	21768	73581	9965	11554	60481	25063	23630	17402	28143	26076	7074	16382	23541	87076	57196	0	37643	48053	57525	43727	51457	30024	20218	22350	210522	20824	50068	0	11335	75320	Phytochemical	0.6363636	1.1363636	0.045454547
24	C22 H25 O14 N1	528.13477	528.13556	0.22667024	528.1349	5476	7286	9343	7712	7970	10786	0	2325	10410	9112	6127	1991	16401	3781	5219	3221	2111	18817	13783	18547	21964	7767	6556	4014	1617	0	0	2101	1771	1504	2703	3797	2638	1753	13493	3233	1991	2434	1431	8491	8370	2748	0	0	0	62035	118208	0	2439	3286	10202	9443	7510	0	7791	6096	4290	3033	3194	3235	2421	15671	10293	5902	3382	4909	4509	0	6624	3133	8996	1845	2470	3242	4331	1166	0	2691	2722	14046	4540	53176	1625	4756	10001	5326	1903	1729	2276	0	0	3246	4515	14933	15556	0	6904	10485	11990	3131	5058	2033	3006	3659	81432	0	10592	0	1255	16171	Phytochemical	0.6363636	1.1363636	0.045454547
16	C22 H25 O14 N1	528.13477	528.1357	0.18290271	528.1349	46435	57085	47838	44111	54607	51044	16592	26313	82113	51776	34261	25819	142473	32456	41110	27035	19524	109379	104735	80590	91718	102531	53859	34126	16657	6126	9293	15939	27588	27933	25296	19754	34735	19914	73161	23557	25177	26131	18917	49341	57124	36685	2015	0	319	180030	330461	0	22143	25792	50418	57563	45356	0	99465	73652	31997	17195	34842	25757	30028	62274	104869	74109	28470	69087	42744	12309	40769	20679	41167	30636	19047	22897	22744	17490	0	23882	30749	103712	24079	161235	14204	19001	83299	53375	25222	31017	39413	0	12113	24989	41989	105386	96090	0	53356	56829	70769	47377	66289	33095	26952	31026	259140	30011	70997	0	12977	110147	Phytochemical	0.6363636	1.1363636	0.045454547
8	C22 H25 O14 N1	528.13477	528.13586	0.27349418	528.13495	6746	5099	3274	5529	5838	3394	2578	2477	11710	8830	6479	3057	14653	2077	2869	3281	6322	10523	11197	7893	9260	10366	3817	5336	940	740	2563	0	2312	2707	1671	3001	2574	3225	10498	2465	4227	2757	4714	4896	9708	4277	0	0	0	11983	27964	0	3866	1542	4396	4824	3776	0	11441	10701	4082	2314	1523	5066	4572	4205	17338	11728	4231	10232	4627	4882	0	1649	2021	2905	2316	1868	3000	1881	0	2117	6828	2626	2703	6049	970	0	13816	5267	4308	3114	5471	6611	0	0	5726	12687	10216	0	5809	6531	8588	9963	14253	4885	2270	4280	12747	4423	10802	0	1034	18684	Phytochemical	0.6363636	1.1363636	0.045454547
26	C22 H25 O14 N1	528.13477	528.1355	0.076378696	528.1348	9355	6447	6847	6336	8526	8259	0	0	8840	11788	0	0	11482	2417	0	0	0	8758	8128	16126	19924	10042	0	0	0	0	0	0	0	0	0	0	0	0	11403	0	2813	0	0	9531	15013	0	0	0	0	56138	99035	0	2120	0	5884	6190	5618	0	8677	0	3322	1840	2300	3056	0	16708	8168	4671	3695	7364	2764	2293	6075	5651	6956	0	0	0	0	0	0	2985	0	7774	2535	43863	0	0	5705	0	0	0	0	0	2643	3270	0	9880	11260	0	7033	10581	6602	0	0	0	0	0	53851	3386	5874	0	0	13282	Phytochemical	0.6363636	1.1363636	0.045454547
14	C22 H25 O14 N1	528.13477	528.1357	0.19937491	528.1349	54268	47930	43395	52913	57776	39213	13935	37676	81221	59710	42923	27974	133656	26820	41973	36630	32004	103336	93154	78820	107508	128350	51576	33509	12944	8267	15053	20598	29199	28925	21927	19045	30547	20775	70273	28573	31593	33328	25673	50615	69781	43325	0	0	0	172867	318062	0	18356	29932	53137	51896	44674	0	109278	75256	30804	24893	42194	28770	42946	64451	107742	80589	33202	65359	38308	21735	39743	18108	26887	21411	21890	26407	26138	22256	0	25901	33081	84177	28770	125634	13144	15640	78438	45934	24670	30357	33614	20795	12793	27585	39041	106650	98284	0	56511	61701	63971	52681	67209	43474	30427	35814	309049	23306	73075	0	16344	87170	Phytochemical	0.6363636	1.1363636	0.045454547
20	C22 H25 O14 N1	528.13477	528.13556	0.1898461	528.1349	24956	23500	28182	20835	30843	31298	4960	8125	39778	23192	18182	11448	60663	13100	20717	12207	8729	57496	42975	35166	45933	50645	19810	11212	6719	10849	4955	7676	9851	8348	5142	7522	8987	9914	25288	10080	7752	14313	8624	25063	22948	17581	1639	0	0	141195	215161	502	8953	12459	20786	22209	24043	254	48101	29039	13776	11308	15123	9367	8423	38554	39900	33254	12098	30257	17013	6455	20443	13343	23653	11143	6671	11930	7829	7885	0	13277	14654	39883	8420	110830	4691	11571	40245	18332	9728	11770	19279	2997	5494	8508	16296	40995	36926	0	21832	29336	34258	22894	27778	15773	10337	12467	180821	12835	39568	0	5462	52525	Phytochemical	0.6363636	1.1363636	0.045454547
18	C21 H25 O13 N3	528.146	528.14764	0.5592705	528.1463	20192	16620	30048	31000	21784	15540	8376	8220	45909	45492	9596	7056	42480	6416	14096	10436	0	33836	27372	28884	29940	42332	15316	9944	7876	6894	8196	8172	0	8042	17156	12240	15808	0	41336	8536	8116	12856	6632	34764	25904	11420	1716	0	0	88584	70292	0	0	9016	15248	16704	15644	0	49952	9436	15596	13396	23540	9836	1711	20276	46064	27688	6164	25568	13104	0	3795	15460	9224	15438	7308	17104	7560	0	0	11216	10876	23684	17204	89008	13600	15056	15028	7872	11980	6348	11704	8648	19536	17356	27976	45860	34880	0	8720	23072	19416	15204	9812	20207	7172	7956	75740	11252	20344	0	8936	38784	Unclassified	0.61904764	1.1904762	0.14285715
26	C26 H25 O11 N1	528.15	528.15076	0.14111017	528.1501	5752	0	3112	4025	4400	3185	0	0	6393	17888	6794	0	7680	2714	0	0	0	5478	4752	8887	11819	12533	0	0	0	7435	0	3669	0	0	0	0	0	0	25819	0	2418	0	0	7511	7647	0	0	0	0	9571	10405	0	0	0	4559	4144	3456	0	6195	0	0	1918	0	0	0	4233	9511	3550	0	4703	0	0	6261	13543	11596	0	0	0	0	0	0	0	2810	5637	3047	7416	0	4648	0	0	0	0	0	0	2739	2558	0	14025	19331	0	0	0	2624	2274	0	0	0	0	0	1480	0	0	0	8094	Phytochemical	0.42307693	0.96153843	0.038461536
10	C26 H25 O11 N1	528.15	528.151	0.15336488	528.15015	0	2371	1964	1916	4312	0	0	0	2044	21131	8871	924	4462	0	0	0	0	2114	3150	11480	12278	0	994	0	0	5623	0	6450	1405	930	0	0	0	1077	27334	1183	1968	1748	0	8681	6078	0	0	0	0	6149	7512	0	0	0	2835	1502	0	0	2399	1408	1068	0	0	0	0	3832	5441	2726	0	2804	1620	1817	0	7397	10303	0	1261	0	0	1079	0	973	2650	0	1585	3462	0	2144	3000	1258	2167	851	1011	1549	0	1951	2405	10165	7983	0	2318	2257	3938	3793	3053	0	0	0	0	0	2038	0	1775	2874	Phytochemical	0.42307693	0.96153843	0.038461536
18	C26 H25 O11 N1	528.15	528.1509	0.16181636	528.15015	24887	17012	16134	24787	22284	11867	4120	4035	22554	117203	55983	5534	39059	13270	7831	4073	4488	21056	33290	66009	67986	55905	11828	8274	8025	47582	5478	38832	0	2843	4348	3770	7670	0	148801	5390	9891	5484	4271	43895	43146	8550	807	0	0	46648	39251	0	3759	4106	24950	19624	17001	0	35471	18835	11724	7842	7567	6743	7732	36051	37278	28052	7839	23179	10112	5792	39455	57802	66160	5473	3364	1499	3333	0	0	4242	12184	39503	7463	28672	6854	31125	19218	10945	13966	9807	8464	9002	15470	21746	21996	50329	78165	0	19062	20638	17182	18658	19974	7000	3523	11290	34376	7537	18258	0	8860	35424	Phytochemical	0.42307693	0.96153843	0.038461536
12	C26 H25 O11 N1	528.15	528.1508	0.041160926	528.1501	6300	6072	4424	4271	7101	3437	0	0	4822	26617	12884	1372	8604	4069	2687	2876	0	3750	8747	17521	22747	12628	2085	0	0	13750	0	9401	0	1717	1154	0	3499	0	47076	0	2262	2378	2288	12205	13573	1882	0	0	0	11593	16033	0	2366	0	4095	5301	4362	0	7346	3170	2185	0	0	0	0	11938	7648	4917	1763	5777	2404	0	0	17149	26459	2004	1318	0	0	1271	0	1290	4183	26468	2433	5713	2744	7285	3729	2916	5706	2773	2015	0	0	3734	0	12845	14212	0	7931	5218	3999	6431	4810	0	1577	0	0	0	3829	0	2275	8083	Phytochemical	0.42307693	0.96153843	0.038461536
24	C26 H25 O11 N1	528.15	528.15076	0.08559466	528.1501	8370	8067	6395	6697	5631	5799	0	0	9288	30764	14451	1250	12248	5158	2561	2302	0	15200	9140	13910	19942	21511	1629	3699	2219	15322	0	6058	1435	0	1361	1519	2985	1755	38459	0	3063	2036	1360	19026	16054	3082	0	0	0	15015	21209	0	1055	1590	6732	8064	4629	0	12624	7501	3626	0	3030	1450	0	12922	14319	6408	2171	10396	3637	1968	14528	19140	18415	0	0	0	0	0	0	1614	6488	14925	3071	14884	2089	8095	9841	0	6232	2950	3795	0	4158	4390	3161	21591	29596	0	7786	8448	7630	9404	7544	3817	1084	2251	15561	2187	8714	0	1639	12600	Phytochemical	0.42307693	0.96153843	0.038461536
22	C26 H25 O11 N1	528.15	528.15076	0.14442259	528.1501	13862	14494	11769	12066	16685	9214	2594	2380	21357	71993	31451	1804	21672	8056	3899	5960	1578	23786	14755	40225	44657	39375	7628	5965	3072	26309	2784	20380	2527	1833	0	0	4068	1487	75001	2647	3147	3134	3957	27400	23658	3744	0	0	0	34986	37562	0	2619	1120	12702	17426	10455	0	19339	11805	5983	4265	4002	3392	3815	23331	27451	18011	2960	14621	7510	2460	25237	37119	32422	3240	0	0	1470	1344	0	1915	8146	27143	6049	27874	3605	21298	19221	11959	9714	6663	7246	9151	11631	10263	5816	37903	49690	0	11123	14437	16733	14363	11379	9404	2044	6004	28704	3441	15815	0	6515	26835	Phytochemical	0.42307693	0.96153843	0.038461536
28	C23 H29 O13 N1	528.17114	528.17194	0.19848515	528.17126	7375	5901	6711	8058	4746	7465	1745	2238	3995	20237	6376	2086	7339	2884	3210	2559	3322	7517	7132	23307	25742	8706	2822	5140	0	5891	2255	2660	3894	4093	4386	3095	3741	3072	17917	3774	5522	2205	2245	16457	10162	0	0	0	0	40135	48149	0	4374	4138	8084	7212	4895	0	5626	2728	1507	3972	1673	2159	4008	11713	5048	3612	1806	3987	2681	2003	8197	23995	15802	4527	4124	7172	3245	2576	0	2663	3746	2989	3102	24140	2059	9241	4694	3310	2674	1927	2431	1275	3852	5225	4486	4640	9189	0	7901	6922	3675	1977	0	2319	1374	4469	33663	3234	5667	0	1704	8471	Phytochemical	0.5652174	1.2608696	0.04347826
26	C23 H29 O13 N1	528.17114	528.1719	0.20858473	528.17126	9712	9531	7739	9067	5473	7344	0	0	7676	17531	7694	0	12628	3280	0	0	0	12280	7869	28219	29110	5345	5290	0	0	0	0	2090	4984	0	4815	0	4517	6132	23018	0	3957	2889	2812	19394	9118	0	0	0	0	50261	65571	0	5965	0	6931	6153	4463	0	10369	0	0	4787	4895	0	0	10847	6238	7150	3488	4506	4019	2590	10784	19917	14494	7373	4305	0	0	3146	0	2812	3095	8026	5190	37017	2209	9827	6046	0	2937	3205	3464	0	5530	3565	5529	7381	10011	0	7528	9896	6602	3157	0	5410	4108	5222	41828	3053	0	0	0	12968	Phytochemical	0.5652174	1.2608696	0.04347826
20	C23 H29 O13 N1	528.17114	528.17194	0.094807446	528.1712	95380	97454	87068	73305	120442	93800	43643	67192	95506	143891	45819	35532	162230	42860	79332	55512	44792	144041	135226	185049	193606	118326	82819	82932	44554	74209	35833	53062	74647	64049	0	64129	50613	53640	174601	55035	58369	57965	28987	131237	82715	38968	3268	724	510	370333	392117	585	60411	61097	68637	93332	72640	456	134034	67739	50934	46987	70653	27159	58465	118212	143913	97533	46741	69310	53374	39703	87445	96514	77470	62152	67312	64154	40865	44473	506	53990	37937	86802	41226	232650	51013	76997	77497	42946	31589	31595	35934	18456	51600	71414	74820	100420	170140	700	92539	131950	94721	42692	53415	59640	34076	67442	289722	56322	113890	907	40241	147837	Phytochemical	0.5652174	1.2608696	0.04347826
24	C23 H29 O13 N1	528.17114	528.17194	0.2042435	528.17126	13354	13523	17334	12792	14022	14115	4881	11269	15956	27591	13290	4123	26802	3864	11034	7162	3352	24432	14282	35697	40100	15326	10066	8947	7483	11281	2880	11100	8681	6077	6812	6966	9118	9725	22301	7857	6199	5877	6069	31405	14716	4687	0	0	0	83266	89258	0	9230	6983	15770	15474	9133	0	18655	11764	4619	6939	7599	4648	5438	21162	18435	10188	4012	9805	7797	3592	22954	32330	25987	10944	7757	13304	9242	4538	0	6991	5599	9334	7785	61476	5318	21575	17477	9649	3321	3779	4242	5198	4895	9225	9527	13281	15671	0	13618	15558	12440	5910	10618	6729	5029	10426	68304	7177	12607	0	5537	19713	Phytochemical	0.5652174	1.2608696	0.04347826
8	C23 H29 O13 N1	528.17114	528.1722	0.28545532	528.1713	10672	11970	9903	11433	6485	5157	5957	11066	9508	20718	11678	7689	14198	2555	8782	14303	11339	10525	12083	16038	20550	20201	10913	11030	2955	2919	4604	3419	7789	9274	8213	8589	6820	7218	23549	9993	10311	6635	10092	14910	17958	8537	0	0	0	20978	27919	0	11463	8552	12270	11171	7543	0	16209	8589	4501	7725	8129	10361	19331	9683	16158	11663	4899	10835	6636	10083	5329	5364	7659	11262	11165	9644	11042	7839	0	6338	11066	9074	7611	11059	5462	6618	11922	5041	9802	7624	6170	9150	0	6648	12361	13916	14655	0	9767	11386	9208	9561	11329	11911	6709	11921	16737	8929	7265	0	5878	15506	Phytochemical	0.5652174	1.2608696	0.04347826
24	C27 H29 O10 N1	528.1864	528.18713	0.13664514	528.1865	10727	10598	12633	12736	13540	6118	1680	5112	12279	42593	26930	1849	17431	6678	5137	5155	2353	16535	12642	34507	34949	18117	4647	6411	4701	27280	0	18168	3188	3379	3171	3965	4326	4183	43959	4746	8456	0	3054	28407	23631	5130	0	0	0	19579	23591	0	5695	3174	11781	9732	6956	0	14311	12109	4750	4277	4924	2314	4265	19445	15200	8407	4881	9435	4907	2299	33635	40612	47823	3266	1830	0	0	0	0	2972	5890	10277	5011	16249	2784	18253	14432	6297	7381	3315	4314	4711	8094	9579	5498	16860	29821	0	12050	11703	8450	6925	10681	6099	1317	6498	16139	4760	6032	0	5521	16720	Phytochemical	0.37037036	1.074074	0.037037037
22	C27 H29 O10 N1	528.1864	528.18713	0.08426482	528.18646	27883	25052	18800	24424	26552	15228	5505	9771	21051	90030	53937	3909	27290	12497	8748	10092	4842	32154	27505	63516	78315	38385	13227	12374	11875	70569	5234	45087	8351	10397	8855	7714	14709	8421	96063	7112	12313	6116	6294	50520	42382	12542	0	0	0	46492	35664	0	7078	5920	25011	25217	18042	0	24908	23333	8823	12557	11441	5869	10887	32911	27603	21296	8404	23696	15388	4945	59167	89829	88801	9302	6002	5431	5318	4397	0	7137	15000	25867	12163	28390	10274	39380	29080	15021	18580	16114	12112	8270	24955	17760	19510	33568	50287	0	21086	28244	18753	19432	14362	14194	6457	12942	35777	12010	17236	0	13268	29067	Phytochemical	0.37037036	1.074074	0.037037037
26	C27 H29 O10 N1	528.1864	528.18713	0.10464757	528.18646	8187	4531	3761	3622	5267	4237	0	0	3117	21905	8929	0	6285	0	0	0	0	7872	6461	13529	16643	8178	0	0	0	10995	0	5527	0	0	2855	0	2943	0	19764	0	2781	0	0	14193	7027	0	0	0	0	9121	8932	0	0	0	4406	3258	4045	0	6430	0	0	0	0	0	0	7465	9097	5418	0	4911	4602	0	13554	18482	24300	0	0	0	0	0	0	0	0	6384	0	3271	0	6158	0	0	0	3458	2541	0	3127	2785	0	6031	16419	0	3786	0	3114	5191	0	0	0	0	0	3695	0	0	0	8512	Phytochemical	0.37037036	1.074074	0.037037037
2	C20 H33 O15 N1	528.1923	528.19366	0.61686337	528.1926	4586	3165	2539	3147	773	0	1110	2646	1282	514	3221	2130	1492	1118	1357	352	2168	2155	1907	0	608	1426	2725	1927	841	0	0	6224	2857	1356	1996	2714	3401	5370	577	2162	2175	1244	2267	0	0	0	0	0	0	558	219	0	2065	1140	3470	3957	1232	0	869	775	0	3102	0	324	0	0	1019	0	0	2757	2143	2338	0	0	0	5034	4228	2771	0	2722	0	1424	1932	10385	1350	0	0	0	1241	1166	1575	3313	1983	4963	97443	152253	4250	6479	0	0	3301	2252	610	724	929	2193	2070	375	0	2592	1175	0	1319	2289	Unclassified	0.75	1.65	0.05
20	C24 H33 O12 N1	528.2076	528.2083	0.101193585	528.2076	155710	154380	151796	145358	125444	147393	77155	210898	168995	314159	97313	79083	244654	76791	167099	139152	62206	227884	234938	369358	301636	171740	156331	182443	159051	162556	62432	86039	188110	155505	0	146721	153625	133156	324332	167828	181181	112496	60174	226554	97802	99038	4726	937	329	404205	259550	0	137736	155730	152868	166377	112759	642	248293	119126	72049	126220	159496	51872	157617	148656	178636	0	0	131471	101176	62255	131911	252965	143240	161992	0	203098	81646	132937	410	134218	108469	81035	103816	201413	95171	140218	148998	99983	89145	73529	97106	46712	108769	145254	207720	95149	155709	2087	165327	197168	121314	83336	100567	147044	93899	183654	260548	130162	118316	610	91590	233629	Lipid	0.5	1.375	0.041666668
18	C24 H33 O12 N1	528.2076	528.2083	0.14277066	528.20764	239588	223260	209544	212602	176918	160725	129335	325023	198607	445075	167602	126100	308150	96985	266370	220062	107246	321330	359056	515587	427930	239378	263208	298039	224401	238892	111390	127603	318935	250649	257295	246819	250639	245610	450354	290296	247767	159446	94132	334199	147044	156923	6023	907	352	579490	322075	445	225308	249142	227950	210289	163916	1211	364925	172307	107927	208484	260585	88788	233021	228862	248420	204360	96391	205403	149415	98725	186451	330109	192136	260795	213555	304654	155688	224639	376	190649	172470	123574	157494	298042	162273	185862	195565	158145	127598	103864	137435	75836	179105	245906	311898	132770	238629	1776	229049	271500	168975	111178	133177	250098	147982	295742	312280	182792	168380	616	138981	246347	Lipid	0.5	1.375	0.041666668
24	C24 H33 O12 N1	528.2076	528.2083	0.13640758	528.20764	45054	42386	47486	55144	44280	38622	10346	56648	42992	109706	32730	23046	69994	20520	44020	36482	17610	84372	55670	113924	106968	40542	46448	51180	29518	31802	12064	23666	30848	38732	33582	35168	30204	41212	112710	35838	45204	27066	21846	72970	29288	21634	0	0	0	146170	104084	0	38880	41574	42460	39176	28644	0	61380	29988	21988	34002	34488	15742	40190	51638	56416	47340	17564	44416	24258	13452	47404	97332	61541	45196	40072	42096	20286	28300	0	34150	34822	27030	38998	73180	24398	37864	48856	26684	22916	16664	26622	11743	29386	37480	37642	16472	57552	0	53350	50314	31158	31456	26614	31406	24152	42988	91778	30062	30438	0	22326	80924	Lipid	0.5	1.375	0.041666668
16	C24 H33 O12 N1	528.2076	528.2084	0.11248964	528.20764	201515	186251	183853	194414	134071	136279	127888	282889	169059	335697	151117	121619	215515	72598	209467	211659	121714	254263	257284	458786	365894	201385	229594	249130	198566	215084	104170	128208	256898	242129	206267	204275	218651	175113	361630	240315	215005	154952	112694	264666	155778	131381	4837	643	605	433057	292708	657	212711	246533	184780	192018	121234	799	245213	122368	92263	184560	238302	99799	271875	179606	189598	139503	74528	153401	132092	112449	174927	271955	173708	232967	217290	287264	154524	188904	0	163775	150628	128588	142446	241718	154345	171454	158952	117546	127662	98099	115553	96633	145008	186209	256548	122566	204539	1705	205245	240742	134431	92786	118495	228606	126281	261273	263944	201164	146919	517	130018	185273	Lipid	0.5	1.375	0.041666668
10	C24 H33 O12 N1	528.2076	528.2085	0.20834547	528.20764	25464	19449	17323	20280	11128	7724	15098	35161	14207	29020	14377	14576	17149	6176	17678	27334	19233	20534	15762	43219	35926	26729	21847	28711	19615	19084	14205	10931	26557	29574	21276	23597	25507	17253	32920	24585	24964	15900	17665	31768	21721	10254	0	0	0	35546	29230	0	27901	24520	23242	22507	10380	0	20836	10494	6043	21454	21915	16669	19495	16898	15411	11249	7379	13072	11358	16850	18004	20770	20122	25137	22359	27249	16164	23067	0	14859	20468	12284	15879	17259	19022	15259	15601	12154	19505	7707	10997	17715	18262	22919	22184	13677	24108	0	22804	22542	10273	9623	11282	26692	15968	32854	17885	16890	12461	0	15115	18994	Lipid	0.5	1.375	0.041666668
26	C24 H33 O12 N1	528.2076	528.20825	0.11830697	528.20764	9503	7928	7477	6752	7300	5088	0	9480	7031	26015	5664	0	12462	3258	0	7546	0	9880	6096	26176	29374	6674	5374	5434	0	11386	0	3956	5408	0	4997	4897	7643	6829	22259	8818	8397	2813	0	12643	10751	0	0	0	0	27928	24607	0	7159	0	8941	13092	5880	0	7438	0	3867	5304	3578	0	6518	9613	11149	5897	2321	9064	4173	0	10075	28408	13364	9820	4755	8779	0	4564	0	6334	5368	0	4847	12910	3763	11019	8368	0	3335	0	2436	1713	5333	8849	8667	0	11174	0	11157	11628	5729	3165	0	0	4230	0	16206	5310	5284	0	3485	11438	Lipid	0.5	1.375	0.041666668
24	C28 H33 O9 N1	528.2228	528.22345	0.016320692	528.22284	23762	27441	21894	19555	18414	12076	4366	10520	22700	52077	40455	6241	28186	11893	9553	11878	8388	19903	22748	51178	52880	18210	12211	17302	11607	74827	5944	39502	8908	8105	8206	10523	13344	13713	69921	10535	17040	6955	9295	46009	37202	10241	0	0	0	26978	22653	0	10208	11607	20636	17821	17016	0	21056	15616	6844	14146	11499	6221	16705	32456	19544	18936	10498	21350	14944	10365	62070	76922	82798	10939	10198	4154	5444	9339	0	8278	17328	16604	12618	14828	9390	33140	20156	15720	17445	9534	13982	11922	16773	17803	20866	18878	29060	0	17782	24098	15393	15800	15401	17812	6505	16210	16608	13322	14153	0	9554	23585	Phytochemical	0.32142857	1.1785715	0.035714287
10	C28 H33 O9 N1	528.2228	528.22375	0.10376694	528.22284	3538	3601	1958	3447	1370	2067	1337	4950	0	6691	3266	8717	0	0	2103	3037	0	1086	2007	22400	13509	4497	1679	4379	1130	12253	2919	7175	2603	6201	7155	6557	2958	4483	16620	3313	7393	1604	2686	7758	5113	1546	0	0	0	0	3343	0	9533	4358	3000	3876	972	0	1368	653	1061	2437	0	0	0	2985	1242	1325	1812	1753	1457	1573	8019	16454	10354	2598	2225	2387	5929	0	0	4364	2832	0	1962	0	0	4410	1334	1303	2517	1290	2175	1898	0	0	3452	3807	7308	0	5876	3325	0	1367	1053	2052	4806	0	0	3291	1152	0	1377	2054	Phytochemical	0.32142857	1.1785715	0.035714287
28	C28 H33 O9 N1	528.2228	528.2235	0.11430496	528.22284	3040	1635	3538	0	1860	1330	0	0	2396	5605	3896	0	2733	1502	0	0	0	1942	3322	5520	6414	2822	0	0	0	9570	0	4522	0	0	0	0	1746	0	7109	0	0	0	0	6076	6678	0	0	0	0	3873	4424	0	1919	0	3471	1856	2341	0	2992	2271	0	2261	0	0	2641	3466	2413	1795	0	2628	2050	1344	13174	15853	20708	0	1307	0	0	0	0	0	2480	3265	1292	1447	1157	3445	2463	0	1464	0	1445	1807	2054	2365	0	2568	0	0	3439	0	1791	2813	2608	0	0	0	0	1663	1285	0	1970	4212	Phytochemical	0.32142857	1.1785715	0.035714287
26	C28 H33 O9 N1	528.2228	528.2235	0.10862976	528.22284	8285	4441	8000	7158	8923	0	0	0	8358	21480	12697	0	10756	5535	0	0	0	5612	7765	22191	18391	8330	0	5676	0	23225	0	13197	5817	0	3249	0	3844	3648	22496	0	5765	0	4000	13344	14230	0	0	0	0	12686	9329	0	4986	0	7907	5529	3762	0	5301	6053	3297	6587	4419	0	0	9066	7370	3848	2597	6755	3738	2683	31506	36868	41620	3489	4315	0	0	0	0	0	5941	8889	4463	5353	4502	11244	8822	7347	7122	4106	4839	5840	4689	8597	9462	6162	11126	0	5961	7480	3156	8866	9453	7420	0	0	6518	4429	5802	0	0	5837	Phytochemical	0.32142857	1.1785715	0.035714287
0	C21 H37 O14 N1	528.2287	528.2298	0.18695751	528.22876	4003	5515	3115	5699	3896	19393	0	4543	3253	0	0	3888	5290	0	2131	0	2112	6314	4900	0	0	0	2960	2109	0	0	0	0	9129	3480	4294	4754	7992	67693	1167	4313	5252	1263	1451	0	0	4317	0	0	0	0	0	0	8578	2431	3219	4035	2431	0	4290	698	0	4303	0	0	1596	0	5062	3460	3134	9868	7820	4011	0	0	0	51968	32600	5523	0	3948	0	4290	0	0	1316	0	0	0	798	0	1530	14737	11908	1058	5706	1609	3518	0	0	0	5320	5846	0	556	0	3263	3413	0	0	4112	856	0	0	7975	Unclassified	0.6666667	1.7619047	0.04761905
2	C21 H37 O14 N1	528.2287	528.2299	0.3299279	528.2289	7183	8714	6987	6570	6701	53093	6926	6442	5801	1066	1298	10115	17914	2559	4605	973	6382	17285	7996	681	979	1717	5130	5898	1547	0	0	4898	10763	3717	7091	9094	7741	65890	1123	7168	8684	4585	5181	0	0	5499	0	0	0	652	0	0	10176	3159	7429	10505	4742	0	6845	755	6367	5335	575	450	2985	351	4887	9776	4497	35117	9849	9617	0	0	0	47148	39025	6560	609	6585	0	8131	2217	13886	2606	0	391	0	3355	4469	1785	24674	15082	2177	6050	4160	2538	1685	0	0	6306	7698	4001	1171	1292	3595	9095	602	306	4910	2307	0	1602	9069	Unclassified	0.6666667	1.7619047	0.04761905
10	C27 H33 O8 N3	528.2341	528.2349	0.14873761	528.23413	11172	6602	14638	9506	0	5416	11170	13556	0	11414	7158	3712	3326	0	7824	15466	6898	2016	7884	17582	11386	12336	12742	18520	19164	3952	7760	7526	10678	7676	8290	12306	14284	12187	13248	13975	17862	14512	7040	17180	6590	3950	0	0	0	15214	8332	0	15082	7464	6542	12620	5072	0	3248	1582	1864	22190	0	3730	0	14236	0	4074	2400	2830	5272	9806	0	9502	8464	9904	6602	10320	4830	852	0	7506	9156	0	12752	2012	6612	10392	0	2984	9792	5748	3878	15354	16434	12668	20520	7250	15288	0	9622	9902	0	2146	2388	0	7232	17382	0	13584	0	0	13216	2494	Phytochemical	0.2962963	1.2222222	0.11111111
14	C25 H37 O11 N1	528.24396	528.24475	0.091345616	528.24396	34311	41082	37164	38631	19577	19773	35981	78783	29009	40782	22880	33673	31691	13099	43989	54519	53801	32418	47724	75392	58486	39096	56424	78228	45616	39886	39022	28965	63737	75904	42700	63419	51307	45943	48032	79513	43603	33278	47459	39175	26067	34015	0	0	0	47013	41457	0	63050	62574	39116	36251	22062	0	39341	26123	21276	58822	51582	29807	53637	24838	23997	30749	15801	24933	26096	43213	30940	40012	30842	48206	0	70581	51991	52403	0	35258	37568	0	35366	28750	34870	21061	34461	23447	41927	22396	28965	36972	31032	37600	67162	15489	31461	402	37560	54571	24984	21052	27278	56713	34608	69681	27044	32441	25414	0	28606	21435	Lipid	0.44	1.48	0.04
26	C25 H37 O11 N1	528.24396	528.2446	0.0819849	528.24396	5757	8495	12058	9596	6384	8073	2321	12200	7749	23626	6651	3790	18746	3560	8958	10400	6364	15771	16447	21532	26724	6743	6212	8117	0	8672	1906	5363	9259	0	8783	5983	9369	6605	28544	7236	12404	6306	3671	9687	4354	0	0	0	0	11360	10308	0	7317	7085	8494	6763	4122	0	13658	6721	3890	9753	4996	0	10698	5980	11197	9439	0	14022	4137	4943	7191	26683	12323	8588	7010	13101	0	8348	0	6192	6680	0	6542	6284	4625	5521	9235	0	4733	4176	2640	3182	7259	7498	13677	4012	5658	0	7909	6644	4474	6018	0	6851	4916	6422	8951	6525	0	0	3942	16122	Lipid	0.44	1.48	0.04
18	C25 H37 O11 N1	528.24396	528.2447	0.084383436	528.24396	186226	167196	171652	152640	117995	116210	120464	252900	143258	244315	122854	104181	210723	64039	206980	217414	105898	186577	238679	309426	250145	145785	211438	245226	189681	139098	98897	109356	265123	209595	192492	212413	206524	197089	269140	267466	201966	140718	94722	197033	97741	125934	4262	0	0	224819	130595	0	208697	211898	171663	161972	108796	393	242224	134481	85540	182664	193611	77655	219467	140317	174519	157308	76986	120620	120599	96387	121860	213757	136571	194741	177185	246208	141440	204508	0	150183	154507	89133	139811	115912	139416	113055	144999	116025	134251	82895	118970	90324	142782	208438	272466	88421	150937	1329	184732	205404	99568	83694	112510	212290	123978	260067	118361	158125	0	427	123546	162195	Lipid	0.44	1.48	0.04
12	C25 H37 O11 N1	528.24396	528.2448	0.21315774	528.2441	10615	13662	13061	14165	6825	8147	11176	31940	11622	11179	3018	10509	8884	2920	16795	17163	20314	7653	16870	18771	17523	13386	17780	29002	19006	11757	10185	14627	27748	16408	18866	18781	23691	15082	18353	22654	17063	14444	18575	11749	10586	7769	365	0	0	19175	10069	0	19223	20608	12057	13989	8149	0	15361	8482	6084	15011	23457	8579	0	9185	10236	10070	4780	6984	7550	14185	0	12164	12329	14296	16867	24465	12503	17316	0	11580	13479	15262	12457	11141	15234	10881	10126	8370	17766	4935	9691	16190	18208	16295	23119	11749	8869	0	12325	19083	6719	6844	9486	17007	12158	21306	0	13244	8418	0	16010	10629	Lipid	0.44	1.48	0.04
16	C25 H37 O11 N1	528.24396	528.24475	0.054109797	528.24396	98653	87113	81405	86874	53311	53803	70717	161689	79351	114744	66268	75862	87182	31558	115553	126395	80778	97928	115673	164627	130069	77690	120368	151596	100391	81996	65800	0	133651	129810	109406	105577	111373	89208	103773	138991	105149	83484	76286	101191	71871	59201	2101	0	0	115503	84261	0	112415	135851	79009	81039	59797	524	110019	65745	46228	105387	106631	55684	144722	58026	78403	71425	36317	71710	61697	59869	73227	106833	78430	108816	114227	147902	92962	104965	0	88497	76363	54970	81495	71410	88389	74270	76302	63397	81987	49702	64462	60494	86849	94076	170698	48051	83792	969	97876	124259	57013	50461	71291	130568	69796	130221	67268	104271	71774	0	78260	79485	Lipid	0.44	1.48	0.04
10	C25 H37 O11 N1	528.24396	528.24493	0.295894	528.2441	9960	8132	6350	6011	3292	3682	10188	10185	3731	6482	4496	4210	4511	2004	8946	10437	7912	4311	6921	11634	10339	10639	8204	11009	7650	4341	24916	4434	10498	11881	12234	13400	9380	9117	9327	10695	9659	6322	14129	10505	4928	3038	0	0	0	8448	6521	0	10849	11981	10442	9090	4431	0	7744	3704	4464	9295	8384	4333	10177	3159	4422	4993	3004	5463	3370	14358	0	7750	2716	7700	10716	9751	7305	9966	0	7045	6272	13145	4223	4669	6371	4730	5248	7164	5958	3824	2010	9697	16369	10478	14244	5154	7231	0	9675	8622	1786	2532	3191	11112	5100	13965	0	8692	2832	0	5698	7476	Lipid	0.44	1.48	0.04
20	C29 H37 O8 N1	528.2592	528.2599	0.019624779	528.2592	19166	23592	27276	17346	16498	13091	17590	22836	10719	30301	27336	16036	9973	13904	22395	39674	25489	9511	17568	42165	47478	28822	16009	29219	18287	63591	14129	28443	19154	22598	17730	19588	29708	20204	38397	25267	26452	14436	21957	38462	42060	15738	0	0	0	15218	24306	0	24934	26132	25264	22580	16427	0	13428	9310	10459	25089	20226	19584	28145	19378	13724	8742	13345	19306	16078	22686	48773	59591	75007	22063	22161	19809	23082	20824	0	16175	23842	23434	17006	10713	19777	20517	15254	14102	31949	16787	18483	42720	32502	33771	49003	22676	24673	0	24070	22127	10709	11222	11745	29204	14341	32311	13495	23656	12837	0	23726	13579	Phytochemical	0.27586207	1.2758621	0.03448276
18	C29 H37 O8 N1	528.2592	528.25995	0.098489195	528.2592	8127	10640	11166	12978	4036	4907	6405	14675	3531	12806	12491	7420	4227	6366	11269	17466	12638	3436	7618	22924	19299	14975	13046	16749	8460	23636	5971	13404	9745	10833	9402	10698	10147	7488	12221	7079	15099	6613	13856	16870	18964	5472	0	0	0	8009	11602	0	13633	9562	12311	11323	5858	0	6743	1703	4349	16091	5595	11526	16709	9545	3377	4189	3325	6938	5566	14580	16650	24989	25338	10128	6688	9580	11470	7365	0	8457	11685	8128	10099	6174	8160	12988	6020	4753	13517	7775	6406	22934	15905	12663	22142	5965	15373	0	9217	5915	2993	1663	2007	16998	7605	10534	5442	9606	4587	0	9339	3581	Phytochemical	0.27586207	1.2758621	0.03448276
26	C29 H37 O8 N1	528.2592	528.25995	0.087764375	528.2592	13099	13769	12333	15503	13494	8039	2398	15108	10902	18484	23298	5048	14379	7518	0	9097	0	13320	12514	27849	39828	13690	5235	14169	10825	52960	6482	24953	9592	9656	11796	9631	13709	12608	28901	11171	14502	5582	7932	24050	24653	10467	0	0	0	15069	11644	0	10039	9500	14955	13689	10966	0	10113	17665	5747	12465	9548	5989	13046	16280	10116	11309	4980	13374	11090	10980	53101	45672	62938	12025	9958	0	6949	10380	0	6791	14658	11420	9590	9460	9328	23534	15005	7849	11245	6294	8153	11665	13341	13195	18613	11849	10156	0	11689	10746	8197	14119	17224	11436	6582	13310	8890	12026	10590	0	8914	7050	Phytochemical	0.27586207	1.2758621	0.03448276
24	C29 H37 O8 N1	528.2592	528.2599	0.04758025	528.2592	34415	25725	33150	30841	26370	20393	10957	31686	23538	41313	56085	16519	25378	20496	20317	33120	21932	17974	40066	71321	74397	26191	23961	38184	25026	103952	11030	53493	26801	26334	23499	26715	28397	24993	60602	33311	38256	18695	22129	62765	51916	20273	0	0	0	40707	24078	0	29127	24648	30673	32170	20831	0	31329	20572	12754	33727	22327	16728	38222	40196	26404	18580	12016	24724	24972	19517	91572	108245	112426	30720	28056	20405	11739	24970	0	15865	33215	20397	20651	20447	20036	40941	30657	19787	31845	20522	25174	34090	36701	44837	57979	24730	35738	0	32561	34702	20553	20911	27882	34643	14372	38047	21514	35594	22304	0	22961	23450	Phytochemical	0.27586207	1.2758621	0.03448276
10	C22 H41 O13 N1	528.2651	528.26587	0.028944287	528.2651	4981	5773	1964	4710	0	0	2074	6202	0	4854	4392	3913	0	0	0	30613	3890	0	0	6932	11322	1810	0	3600	0	10184	1780	3600	3340	1059	2874	5636	5722	3058	6254	2888	4949	1470	4107	6984	2074	0	0	0	0	0	0	0	0	2990	4522	5248	1354	0	0	0	0	32388	0	0	30302	0	0	0	0	0	0	3032	0	13200	7786	2428	3356	3666	3072	3982	0	3678	2050	0	0	0	0	2672	943	0	0	2070	0	0	16498	8069	10360	3240	4630	0	1135	4280	0	0	0	7340	1596	0	0	12983	679	0	2156	0	Lipid	0.59090906	1.8636364	0.045454547
4	C23 H37 O9 N5	528.2664	528.2674	0.15606122	528.2665	0	553	0	463	0	0	488	0	0	0	0	300	1023	0	361	557	0	580	0	0	0	0	504	1181	331	0	0	0	697	393	0	1034	426	0	0	0	827	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	648	0	0	0	0	0	0	0	0	0	0	0	0	1448	0	0	0	0	0	706	993	372	0	0	0	0	698	15635	569	0	0	0	0	0	445	0	0	435	26441	6662	970	0	0	0	659	601	0	0	320	0	0	0	0	496	0	0	454	417	Peptide	0.39130434	1.6086956	0.2173913
6	C23 H37 O9 N5	528.2664	528.26733	0.17088366	528.2665	983	0	0	0	1760	581	0	954	0	0	0	0	811	0	0	0	0	658	0	0	0	0	0	979	727	0	0	5023	959	707	0	1294	1116	995	0	1094	0	0	812	0	0	557	0	0	0	0	0	0	0	0	0	709	476	0	0	0	393	1084	0	0	0	0	0	0	0	0	0	0	0	0	0	0	685	0	0	0	0	439	845	29957	0	0	0	0	0	0	768	0	0	941	50830	16229	1891	2766	0	0	1070	0	0	498	0	0	0	0	0	0	400	0	0	661	Peptide	0.39130434	1.6086956	0.2173913
8	C23 H37 O9 N5	528.2664	528.26685	0.17008159	528.2665	1102	1856	905	0	0	714	0	1253	0	0	0	0	0	0	0	2338	0	0	0	0	0	0	0	0	0	0	0	2927	1084	0	950	0	1548	0	0	0	1679	0	0	0	0	0	0	0	0	0	0	0	1623	0	856	0	0	0	0	0	0	5820	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	947	0	0	0	888	0	10648	0	0	0	0	0	0	0	0	0	1519	35329	11934	6241	0	0	0	1073	2203	0	0	0	1750	0	0	0	6596	0	0	0	0	Peptide	0.39130434	1.6086956	0.2173913
24	C26 H41 O10 N1	528.28033	528.281	0.030351685	528.28033	56005	48507	54974	48746	44911	52840	30384	62917	52179	98556	26732	20734	90032	29159	52228	47197	18041	95068	105697	87000	67886	46354	49817	57037	52795	29214	26666	31750	66660	0	56676	51940	69787	48264	133164	64356	99089	37161	19933	48032	15538	29015	0	0	0	48191	14991	0	0	49214	47220	44253	38194	0	98396	44515	19831	52017	66251	11802	55058	35917	78177	54512	16959	64662	41287	18185	16769	76383	37917	0	49436	0	15752	42762	0	43013	40302	13292	33994	22810	36584	31139	38538	27988	41849	19554	38459	17169	64890	82425	77654	17170	36776	0	53718	48648	26908	26270	36619	63110	0	64406	33354	45872	29968	0	31287	89378	Lipid	0.3846154	1.5769231	0.038461536
26	C26 H41 O10 N1	528.28033	528.281	0.001124606	528.28033	9370	6574	11496	10683	11466	6672	4545	6137	10365	19491	3943	3761	22831	7423	9452	7186	0	14734	23871	22974	13308	8133	9841	9337	12250	5986	5367	7841	13736	8538	11496	7697	9719	8584	28930	10534	18484	6594	4436	9051	2068	0	0	0	0	6817	0	0	8267	7258	10110	7445	7398	0	19045	8786	3576	11635	7648	0	9564	5124	21593	16569	0	15699	7035	4068	6162	19823	8911	10119	11657	9477	0	9831	0	8566	10740	0	4972	0	7190	4127	10539	8590	5779	4026	6328	3286	13201	20389	15499	0	8085	0	7412	12492	5012	8800	7446	12514	4635	8649	0	8409	5304	0	5317	13798	Lipid	0.3846154	1.5769231	0.038461536
20	C26 H41 O10 N1	528.28033	528.281	0.027235672	528.28033	78615	64137	75881	62642	55477	52589	64881	106098	77334	89780	41302	53739	87167	39172	94219	88208	50545	91957	123373	94970	83087	66767	77990	101804	85138	47950	58266	53992	103407	99659	77861	85657	104912	75036	88926	110921	112552	72527	50745	63889	26141	53691	2229	0	0	68376	33769	0	87566	84387	76623	70943	56977	227	119893	68871	40746	93753	87201	33817	88543	44327	90976	76451	40040	71887	61977	53544	40260	80099	37141	84862	84640	111273	62831	82380	0	64030	75504	28183	59175	34863	72455	55692	70840	60785	69896	39149	59100	42342	86562	87912	117145	22282	50089	0	76398	88266	51390	50058	63885	114835	57533	98552	47271	77767	57979	0	59028	93145	Lipid	0.3846154	1.5769231	0.038461536
16	C26 H41 O10 N1	528.28033	528.2811	0.023766505	528.28033	12738	8912	7778	9039	4635	4665	19241	26738	8207	6324	3856	14423	9010	3940	18351	28856	23472	8080	13078	13971	9960	9679	21175	21939	16725	9206	14978	5052	23589	23691	14709	20165	14978	13631	3742	21617	18274	13258	17166	5463	5753	11409	0	0	0	9620	6932	0	19020	17985	9583	12267	7018	0	12178	9623	8747	15560	9966	7076	25402	5060	8071	13626	6091	4792	8221	11668	4888	6513	4187	11334	16209	24353	27162	23148	0	9131	15032	3560	13529	6061	14977	2953	12291	7917	14827	7017	8410	0	11349	13316	0	2809	9375	0	12262	18362	2522	10055	10318	26485	10617	16790	7691	12534	11296	0	11464	8209	Lipid	0.3846154	1.5769231	0.038461536
18	C26 H41 O10 N1	528.28033	528.28107	0.021591812	528.28033	37660	39099	33519	26545	24929	18114	30367	56276	20767	28659	16593	22381	35081	18169	46209	47155	46236	33534	43599	47177	36116	25957	41549	54278	42922	19116	29911	22997	61351	53490	47972	50230	45759	50942	30295	55821	50572	33267	31945	24646	16284	33247	842	0	0	37030	18076	0	44713	45519	36904	36582	18984	0	49538	36993	22283	45441	38045	22708	52752	16941	25434	32454	19628	29016	23125	35742	13448	27798	24042	31220	36333	53717	42496	41425	0	34139	38081	24268	36684	18268	32030	17304	38704	29654	38544	19725	27281	25056	31325	46395	55273	17321	28835	0	32507	44113	23921	26012	32365	49100	34415	53070	19102	38313	23355	0	34082	34058	Lipid	0.3846154	1.5769231	0.038461536
22	C26 H41 O10 N1	528.28033	528.281	0.021862807	528.28033	108088	91325	92455	92331	65478	75077	68437	140215	104929	144501	55437	49273	127138	51363	117241	99140	38541	142175	166276	160370	128784	95291	100511	119904	116548	50007	51302	58870	140325	107036	102581	112156	138230	104225	159358	122068	145923	81601	39572	93893	23494	58175	0	0	0	89433	41366	0	114542	103302	90665	88293	79538	0	172484	81941	53477	107465	114290	27430	104561	61293	127921	100280	50931	96253	82117	38751	46588	121215	48172	104544	95278	113145	47922	91440	0	0	81380	28179	72156	43395	90557	57574	82780	75980	79421	51614	72697	39086	123264	136816	133467	37196	72213	0	94025	104384	61085	53421	57612	133198	72768	123610	52349	94264	69899	0	66245	124589	Lipid	0.3846154	1.5769231	0.038461536
22	C30 H41 O7 N1	528.2956	528.2963	0.06469138	528.2956	12319	13799	10074	13740	9045	5296	10183	12399	7324	7016	16664	8117	4194	0	9036	29662	18225	6591	7163	18521	18285	7360	9629	14079	12364	34628	13551	15347	10097	16928	12209	18319	16432	12461	9582	14584	13402	13026	21614	14329	17571	9798	0	0	0	6894	8941	0	13290	14363	14891	9089	7418	0	6057	7109	5994	20326	7365	12693	20771	8528	2975	5981	4363	5138	7625	24238	30190	21588	35094	9943	9958	14512	16692	13744	0	7992	17787	13001	9225	5208	10284	10853	9272	7086	19469	7363	10188	28544	16214	18097	21860	10913	12135	0	14673	13040	5838	7407	4967	23309	6729	12649	4740	12640	10199	0	14047	5511	Lipid	0.23333333	1.3666667	0.03333333
24	C30 H41 O7 N1	528.2956	528.29626	0.043357894	528.2956	22930	21930	26266	20920	24163	10594	16323	30254	12593	19811	31566	19104	15432	11939	19569	37067	27601	15774	22845	31672	29212	20248	18085	33037	19853	130654	8858	27355	24104	26447	21919	30374	35625	24910	22034	27472	29986	16224	31806	32795	30306	20695	0	0	0	22485	20827	0	28985	26033	27454	24842	19472	0	13956	12314	10337	31541	17562	15596	31243	14834	11644	13428	7568	12840	17246	34973	50292	54897	60903	17111	20940	20769	17174	19878	0	16750	25364	22479	17042	11757	21336	27362	20447	13087	23461	18583	16665	31449	28280	27868	36964	18626	19278	0	23324	26728	12713	14948	14934	40340	14798	32020	9981	35272	14036	0	26217	11744	Lipid	0.23333333	1.3666667	0.03333333
26	C30 H41 O7 N1	528.2956	528.2963	0.06424768	528.2956	15098	11931	17244	16068	14948	9675	8230	22976	9445	11802	20299	11383	8643	7717	13434	22740	16556	9505	14845	29272	27446	7584	13900	25384	18572	61520	9955	27588	21270	20764	18118	17622	26809	18914	14916	22429	16768	13120	18087	23837	24006	21916	0	0	0	17092	15124	0	22979	24412	17890	16324	13570	0	12415	10799	8374	14664	12034	12609	20697	12297	7819	10976	6720	15565	20679	21276	55256	39658	38629	12817	16070	18150	9151	12466	0	11216	16401	16003	15377	7589	17393	19319	14238	8099	21619	13419	12133	20883	16700	21190	24990	13998	12092	0	15920	21825	10008	17477	19422	33264	11259	20065	9929	18304	9580	0	18504	6233	Lipid	0.23333333	1.3666667	0.03333333
12	C24 H41 O8 N5	528.3028	528.30334	0.2789889	528.3029	2462	2298	2041	2948	0	0	0	0	0	0	7094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37862	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1590	2586	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	144205	0	0	0	0	0	0	0	0	0	0	385161	160657	0	16912	0	0	4629	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7083334	0.20833333
6	C24 H41 O8 N5	528.3028	528.30347	0.11326773	528.30286	890	1469	0	880	5159	8954	0	0	0	0	2801	0	827	5156	0	0	0	0	0	0	0	0	0	0	0	0	0	18720	0	0	0	0	0	0	0	0	0	0	0	0	0	595	0	0	0	0	0	0	0	0	1377	0	2244	0	0	0	2244	0	0	0	0	0	0	0	812	628	1936	0	0	0	0	0	0	0	0	0	0	0	0	168457	0	0	0	0	0	0	0	0	0	0	157441	53300	0	8876	0	0	0	1124	0	0	0	0	0	0	0	0	1868	0	0	0	Peptide	0.33333334	1.7083334	0.20833333
8	C24 H41 O8 N5	528.3028	528.3037	0.23506898	528.3029	6362	9648	5750	4872	0	13249	0	0	0	0	4273	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	72913	0	0	0	0	946	0	0	0	0	0	0	0	0	1397	0	0	0	0	0	0	0	0	6833	5460	0	0	0	0	921	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	449236	0	0	0	0	0	0	0	0	0	0	661598	263086	0	39684	4425	0	7571	10443	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7083334	0.20833333
10	C24 H41 O8 N5	528.3028	528.30365	0.24172802	528.3029	8443	8906	7991	10646	0	4164	0	0	0	0	6922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67715	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8735	7960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	430524	0	0	0	0	0	0	0	0	0	0	1103302	339583	0	45915	5452	0	7983	8011	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7083334	0.20833333
26	C27 H45 O9 N1	528.3167	528.3174	0.06652648	528.3168	9931	9282	9622	9063	8655	5899	21731	10607	10509	8709	0	3027	12242	10342	20254	6284	19309	16945	21721	10199	9022	6393	6461	10571	13938	0	17791	8190	19560	10525	12640	16572	20668	10624	11825	16969	25850	17596	18529	6803	0	6968	0	0	0	0	0	0	14326	10779	7692	9965	11207	0	21142	9128	6552	11412	16463	0	15719	6189	15932	11354	6258	12741	11599	9094	0	7525	3383	9906	12444	15380	0	10571	0	12605	8769	0	4068	3047	11666	4810	11238	7384	12786	5276	8336	4222	22523	23800	16362	2119	0	0	12688	13765	8446	6063	10208	15126	7312	13525	10713	7598	5588	0	15549	12528	Lipid	0.33333334	1.6666666	0.037037037
22	C27 H45 O9 N1	528.3167	528.3174	0.06776366	528.3168	13409	15816	16539	14345	16722	15888	42571	23006	19076	7510	4813	9968	20387	10033	18559	18244	15509	22733	27823	12665	7575	8623	18869	17824	17702	5600	28493	8149	30824	32172	19878	30626	29883	21527	10086	30584	33688	10551	17280	6890	4355	11061	0	0	0	7035	4135	0	24606	19302	19248	12771	15929	0	28974	14577	6791	18759	12708	6137	28412	5090	19908	17789	7234	16191	15755	14547	0	9907	4237	16417	22647	32123	17577	20003	0	18032	12358	4033	8217	4584	42203	20861	21998	15453	12240	11202	12795	12955	22236	21489	22930	5934	6615	0	13677	15182	12194	12006	19713	31875	13917	14550	5088	23137	14152	0	12123	20123	Lipid	0.33333334	1.6666666	0.037037037
24	C27 H45 O9 N1	528.3167	528.3174	0.013778416	528.3167	22869	24613	18566	21773	22205	18209	54596	27083	21238	18388	7530	13622	38401	15317	23194	21966	9908	34190	52485	21756	12902	11085	17118	24676	25929	7955	38276	17200	30629	24057	29593	27928	35957	22577	26513	32118	38614	18903	12886	11821	3207	13527	0	0	0	13247	4520	0	24189	19710	18969	15681	21230	0	44068	20203	10067	26923	22981	5232	26798	6784	33100	20883	13612	31062	24888	12113	3453	15741	3173	19114	23217	30095	14649	21388	0	19438	16213	6740	13097	5618	34845	24225	22715	15852	16039	8147	20580	11450	36936	32835	26712	6047	9019	0	25094	20496	12143	16615	20923	39368	10003	26200	13597	22848	18031	0	15776	29839	Lipid	0.33333334	1.6666666	0.037037037
26	C31 H45 O6 N1	528.332	528.3326	0.11101637	528.33203	4052	4046	5603	3312	4813	2398	5875	8664	0	1945	3921	5944	0	1971	0	6307	11896	0	0	0	0	0	0	5805	0	6952	3711	5655	8040	15621	11176	10529	11729	6871	0	20362	12612	5149	9165	3891	2782	0	0	0	0	0	0	0	11067	17869	6739	3681	2890	0	0	0	0	9156	4845	5207	7409	3154	0	0	0	0	2854	15292	0	0	2762	5114	7558	21163	7353	14570	0	3168	4386	0	0	0	5771	4473	0	0	9000	5638	0	8649	3295	2664	4509	0	0	0	5017	0	0	3464	0	16577	0	10144	0	4352	0	0	5336	2108	Lipid	0.19354838	1.451613	0.032258064
16	C31 H45 O6 N1	528.332	528.3327	-0.0951521	528.3319	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1347	3720	0	0	0	0	0	0	3855	36478	2051	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1406	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.19354838	1.451613	0.032258064
12	C31 H45 O6 N1	528.332	528.33276	0.10394984	528.33203	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4246	0	0	0	0	0	989	0	0	0	0	0	997	0	1196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1383	0	0	0	0	0	0	0	0	0	0	0	74257	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.19354838	1.451613	0.032258064
22	C24 H49 O11 N1	528.3378	528.33875	0.16663355	528.33795	2612	2713	3418	2741	10088	11405	0	0	0	0	0	0	4662	6838	0	0	0	0	6226	0	0	0	0	0	2777	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38188	0	0	0	0	0	0	0	0	2578	2594	16417	5550	11874	0	23941	0	1290	0	0	0	0	26947	64265	62446	133199	0	0	0	0	0	0	0	2140	0	0	0	0	0	0	0	0	0	9331	12455	0	6537	4970	0	0	0	0	0	0	0	4297	3467	3027	0	3419	0	0	0	18790	0	3415	0	0	0	Lipid	0.45833334	2.0416667	0.041666668
24	C24 H49 O11 N1	528.3378	528.3389	0.3292702	528.338	3599	5047	3931	3337	1274	2379	4408	1647	1404	0	1849	1640	1545	0	2999	22023	135762	1186	5753	0	0	1207	1466	1807	3420	0	5844	1241	5170	3062	0	4817	3281	2568	0	5165	3436	1169	358368	0	0	3719	0	0	0	0	0	0	3118	1477	6193	4973	2297	0	2025	3015	2778	25507	1962	3130	8834	910	1562	2191	6833	3941	8403	502220	0	1464	5087	0	1930	2624	5185	5851	0	910	4247	2193	3931	0	2183	0	1751	0	8555	1718	1520	10911	3099	1853	2332	0	0	0	2144	5694	2000	7545	8264	6213	2812	0	15147	8918	3474	0	3423	0	Lipid	0.45833334	2.0416667	0.041666668
10	C25 H45 O7 N5	528.3392	528.3396	0.15530053	528.33923	0	1353	904	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13067	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	100826	0	0	0	0	0	0	0	0	0	0	84144	18249	0	5738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.28	1.8	0.2
12	C25 H45 O7 N5	528.3392	528.3401	0.10239397	528.33923	0	0	0	0	0	1615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	78487	0	0	0	0	0	0	0	0	0	0	71333	22426	0	5163	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.28	1.8	0.2
26	C28 H49 O8 N1	528.3531	528.3534	0.07411489	528.35315	2370	2483	3887	0	4346	0	57290	0	0	0	2486	0	0	6050	0	0	0	0	4262	0	0	0	0	0	0	0	37528	3266	0	0	0	0	2079	2333	0	0	4713	0	2229	0	0	0	0	0	0	0	0	0	2455	0	2161	2408	0	0	0	0	0	0	4134	0	0	0	3082	2473	2896	3660	5839	0	0	0	0	0	0	0	0	3951	0	0	0	0	0	0	6712	3641	0	0	2176	0	0	1879	6347	5509	0	0	0	0	1885	0	0	2578	0	0	0	0	12143	0	0	0	0	0	Lipid	0.2857143	1.75	0.035714287
24	C28 H49 O8 N1	528.3531	528.35364	0.09255634	528.35315	2692	1299	0	2513	1377	1044	35131	0	0	0	0	0	0	5198	0	0	1816	0	2743	0	0	0	0	0	2260	2438	25422	0	2720	2489	1205	1853	2841	0	0	2119	1720	2197	3389	0	0	0	0	0	0	0	0	0	2415	1708	2475	1088	0	0	2103	0	1046	2405	0	2759	2026	0	0	1023	3282	1818	2941	2433	0	0	0	1279	0	1686	1463	2835	0	1143	0	0	0	1003	10932	8727	1633	0	2894	0	0	1734	4380	1473	2001	0	0	0	1659	1516	0	1727	0	2416	0	0	2670	2127	1949	0	1026	1719	Lipid	0.2857143	1.75	0.035714287
20	C27 H49 O7 N3	528.3643	528.36554	0.4470175	528.36456	0	0	2047	1580	0	0	0	0	0	6678	0	0	0	2280	0	4500	69520	0	0	0	0	0	0	0	0	0	0	0	0	4695	0	0	0	0	0	4782	0	0	0	0	0	0	11206	0	0	0	0	0	0	2752	0	0	0	0	0	0	0	0	0	1056	0	0	0	0	0	0	0	120395	0	0	0	3434	1744	0	35483	0	0	0	0	0	0	0	0	0	0	0	0	0	0	76811	2348	0	20217	0	0	0	2190	1646	0	0	0	3711	0	0	0	0	0	0	0	0	Lipid	0.25925925	1.8148148	0.11111111
24	C25 H53 O10 N1	528.3742	528.37476	0.09479231	528.37427	5922	5281	5799	4272	3068	6399	1187	0	3841	17530	3675	0	20140	13144	0	0	0	0	0	0	0	0	0	0	3842	0	0	3466	0	0	0	1119	0	1020	3249	0	0	1031	0	2613	0	4617	6536	0	0	0	0	0	0	0	4028	4675	3281	6114	3288	0	11308	1073	60576	0	0	20843	7685	2949	50361	169821	348675	0	0	0	0	0	0	0	0	0	0	0	0	4708	0	13970	0	0	1407	15057	0	2118	0	0	10910	10644	0	0	0	0	7250	6440	3554	0	4321	0	0	0	141902	0	2379	0	0	2806	Lipid	0.4	2.12	0.04
18	C21 H20 O14 S1	529.06464	529.06537	-0.11314336	529.0646	5991	10494	12093	16251	37017	10941	0	0	39810	0	6516	2619	78941	11193	0	0	0	44358	30012	0	7905	53188	4659	0	0	0	4086	0	0	0	0	0	0	0	9186	0	0	0	0	0	9924	0	0	0	0	13023	29820	2460	0	0	13407	10281	28644	0	32811	45528	13848	0	4986	3969	0	3321	103647	34032	11394	39488	6033	0	0	0	0	0	0	0	0	0	0	0	14922	19983	9522	11787	0	0	66072	18387	11328	7482	11409	0	3012	0	0	60431	23922	0	8985	9744	36660	73035	63178	0	0	0	7011	0	34194	0	3411	68163	Organosulfur	0.6666667	0.95238096	0.0
20	C21 H20 O14 S1	529.06464	529.0655	0.15109617	529.06476	3265	7763	5968	5739	22082	5393	1573	0	18511	2415	0	2054	39545	6183	2650	0	0	16574	15805	0	5948	18873	3510	1851	0	0	0	0	0	0	0	0	0	0	3818	0	2072	1520	0	1459	4509	2909	0	0	0	3961	10411	669	0	0	4636	6121	8219	0	19299	17605	5876	0	1027	887	1616	2645	40423	19158	7064	24245	3006	1789	0	0	0	0	0	0	0	0	0	0	6061	7811	3896	4786	0	0	27682	10124	8785	3707	3700	1710	68440	48745	0	21140	11699	0	8323	4897	17480	30842	23640	1493	0	0	7757	1685	18417	0	0	29415	Organosulfur	0.6666667	0.95238096	0.0
20	C25 H20 O13	529.09766	529.0984	0.19647188	529.0978	19644	22257	18505	20249	43629	18565	3931	3151	47643	53042	17926	3257	74848	18447	8983	3916	1557	48843	43054	29173	30599	56381	12636	4375	3944	7972	5826	8664	0	1556	3034	2529	3652	1375	66427	1708	6140	7088	2089	17014	11778	7891	1007	0	0	26284	35502	575	2017	0	25743	23712	15920	0	45979	38655	12452	2997	5193	3087	4015	11724	79849	40701	18259	43704	12826	2098	9277	9500	19522	2258	0	0	0	1413	0	2900	20228	28515	18075	31809	3288	12461	49388	28763	17008	8169	8853	4982	5795	9075	8786	58492	64137	0	19946	10125	38529	44342	45635	5016	2818	3347	33064	4685	42432	0	5217	68050	Phytochemical	0.52	0.8	0.0
14	C25 H20 O13	529.09766	529.0986	0.22815004	529.0978	9014	7369	7442	11011	15023	4716	0	0	22575	35022	26507	2074	30515	7986	1029	2670	0	15032	16461	11682	14780	28985	4561	0	1748	4034	1086	0	0	0	0	0	0	0	46746	0	0	4465	1303	7874	13654	1929	0	0	0	13074	32502	0	0	0	10790	10200	6993	0	17048	18113	5814	1684	0	0	0	7990	38925	16377	6040	23951	8052	2692	0	7351	11807	1005	1015	0	1497	1776	0	1858	9670	19526	6298	13881	1236	5560	21592	8826	8455	5161	3009	0	2885	0	0	42895	31473	0	12812	4883	21264	28566	24217	0	2069	0	0	1435	18981	0	1950	25494	Phytochemical	0.52	0.8	0.0
28	C25 H20 O13	529.09766	529.0984	0.20962593	529.0978	5805	5896	6152	6629	10883	7502	1477	0	13134	12390	2590	1641	26176	5379	2307	0	0	18338	16076	4990	7427	9794	4606	0	0	0	1606	0	0	0	1087	0	1637	0	18033	0	1930	1332	998	3311	3007	2578	0	0	0	5547	6552	0	0	0	5391	5911	7260	0	18722	12186	4878	1072	1244	0	0	2135	22040	12406	2479	17961	3027	1138	3635	5895	4467	0	0	0	0	0	0	0	7437	7551	6063	4110	1409	1885	17354	7570	4638	1976	3656	1422	1607	2720	0	13248	18432	0	6797	6776	10367	11945	14954	2041	1330	0	4185	1056	11061	0	1887	21439	Phytochemical	0.52	0.8	0.0
24	C25 H20 O13	529.09766	529.09845	0.24315661	529.0978	11076	10502	8226	10582	23060	11714	1198	1607	20143	26892	3858	1198	43243	9252	3288	0	0	28198	28017	11014	14087	24193	6641	1282	2096	3396	2431	1675	0	0	1388	0	1689	0	32050	0	0	3984	0	7829	6026	1490	0	0	0	12257	12470	0	0	0	9974	7252	9055	0	25739	18384	5461	1380	1816	1812	1200	4931	48707	18467	5065	21412	4529	1946	3099	9263	7736	0	0	0	0	1094	0	1760	10901	14147	11056	14161	0	3392	24791	13440	9337	3956	3896	1731	2140	3155	3768	26065	36254	0	9009	8871	18004	23442	24642	2360	0	2161	11885	0	17599	0	3350	32657	Phytochemical	0.52	0.8	0.0
22	C25 H20 O13	529.09766	529.09845	0.17570302	529.0978	14928	15493	13267	15328	28302	18914	2781	0	34382	35278	11440	2484	47602	10845	4149	3208	0	42410	25510	19468	18084	42544	7521	4125	4021	4503	3278	5080	1727	1336	0	0	2446	1921	41696	0	4438	3699	0	9521	9497	3094	0	0	0	23610	33033	0	0	0	18942	17750	18890	264	38454	27490	12696	4502	3842	1783	1713	12564	56725	34828	11054	37104	5761	1880	6600	7048	9093	1181	1377	0	1303	0	514	2074	13635	22735	14401	24983	2608	8573	39490	21163	14184	4720	6416	3891	4644	0	3456	39017	58339	0	11022	17529	23619	34405	36549	3642	1758	2278	19359	1452	28990	0	2466	59773	Phytochemical	0.52	0.8	0.0
26	C25 H20 O13	529.09766	529.09845	0.2434378	529.0978	8144	7066	5666	6858	13958	8274	0	0	20611	15564	0	0	35151	7252	0	0	0	19274	19874	14122	10387	22466	0	0	0	0	0	0	0	0	0	0	0	0	26293	0	1758	3008	0	6533	4901	0	0	0	0	7564	10058	0	0	0	7846	8032	9738	0	23297	12873	4186	0	0	0	0	0	32642	19295	4679	15955	2609	0	0	5934	6921	0	0	0	0	0	0	0	11645	6486	7491	7887	0	3055	22756	8029	7213	0	3933	1745	1416	3035	0	17045	33945	0	7248	7802	9797	15887	17685	0	0	0	7858	1872	13775	0	0	29178	Phytochemical	0.52	0.8	0.0
18	C24 H20 O12 N2	529.1089	529.10974	0.21869946	529.109	2574	6162	3238	4374	4355	2872	0	0	8793	13634	8039	1119	13927	1986	0	0	1352	7993	6522	4468	12088	20011	2708	3134	1529	0	0	0	0	0	0	0	0	0	12881	0	2085	1381	1532	10827	11111	2786	299	0	0	10780	20392	0	0	1297	2427	4173	2742	0	10222	6218	2976	4860	1591	1887	2268	6575	13427	8942	1459	6709	2241	0	0	3794	3393	0	0	0	0	0	0	0	4857	12521	1283	11725	0	2484	9940	3051	3216	1996	2446	3018	0	3913	0	17707	23296	0	7023	4077	5853	8778	4841	1541	0	0	11139	1514	3118	0	2043	11767	Phytochemical	0.5	0.8333333	0.083333336
14	C24 H20 O12 N2	529.1089	529.1098	0.14227511	529.10895	3037	6342	3500	3302	4644	1807	0	0	4479	12495	6055	0	9925	0	0	0	0	3538	6395	5026	12746	19629	2090	0	1341	1769	0	0	0	0	0	0	2131	0	15030	0	0	0	1378	6094	14429	1681	0	0	0	11385	19720	0	0	0	2744	2448	2995	0	7263	5596	3445	0	0	0	0	5731	12939	5708	0	7477	1182	0	0	2100	3277	0	0	0	1279	1092	0	0	4652	0	1807	9024	0	1354	7805	0	1746	3835	1732	0	0	0	2932	22341	13705	0	3623	2313	4318	6580	6979	0	0	0	0	0	3658	0	1101	13805	Phytochemical	0.5	0.8333333	0.083333336
10	C22 H24 O15	529.1188	529.11993	0.42116955	529.119	17886	12705	11070	12537	25653	13167	0	6465	28806	12198	15378	6624	45996	5934	5994	14406	6318	29235	33699	8145	14436	26766	17847	0	0	0	5313	0	0	0	3336	0	4035	4317	15060	4737	5736	6276	7731	5319	21951	8091	0	0	0	14055	56931	0	0	4263	16143	16899	15552	0	28905	25149	10824	3969	0	9720	0	6075	55974	29655	14946	36900	7926	6672	0	0	5079	6318	0	5967	5022	0	0	7245	15564	20019	11937	22524	3189	3747	30525	11907	14358	8478	10128	9762	0	0	7332	42039	19164	0	13128	17295	35079	45690	40797	6099	7125	0	0	10024	22140	0	0	54615	Phytochemical	0.6818182	1.0909091	0.0
14	C22 H24 O15	529.1188	529.1198	0.34191978	529.11896	45345	55465	55816	48387	73165	45728	7281	22254	109722	48441	33816	26074	182243	21696	28861	11145	18984	114947	90169	35082	64294	139085	44850	0	7374	0	9013	0	16495	13671	16173	0	34309	17292	75671	7107	29330	31065	13539	31866	39066	24819	0	0	0	116823	251283	0	17133	3386	37680	42350	39549	0	104193	80908	33376	21994	0	26088	0	40592	225963	97349	31505	119652	44617	13242	0	5118	11190	17625	13080	7700	12795	14579	0	29860	34881	59820	32515	130109	10355	7254	63143	32202	30238	37840	28221	0	10905	33663	26298	140104	80526	0	43908	48991	59324	65330	76155	26513	18642	13980	175365	22817	56093	0	11526	165489	Phytochemical	0.6818182	1.0909091	0.0
8	C22 H24 O15	529.1188	529.12006	0.4798149	529.1191	5988	5448	0	7864	13000	4252	0	0	20392	0	1704	5040	27320	0	4360	0	8728	12220	17412	0	6008	11756	4624	0	0	0	0	0	0	0	0	0	0	0	16100	0	0	0	5308	0	5944	4632	0	0	0	6972	16632	0	0	0	7684	0	3344	0	8604	15232	5832	5936	0	5216	0	0	31676	18176	0	21200	3144	0	0	0	0	4676	0	0	6216	3336	0	0	15384	0	6400	0	0	0	21256	0	7320	7236	2620	7786	0	0	0	15152	0	0	0	6640	12904	28748	22536	4144	2600	0	0	4112	13488	0	685	16964	Phytochemical	0.6818182	1.0909091	0.0
12	C22 H24 O15	529.1188	529.1198	0.40937307	529.119	21834	30276	50340	33192	49992	22233	11970	14985	77760	50988	37680	13275	115941	11010	15723	5979	7338	56913	79821	49809	55374	118191	35484	10605	6069	0	6468	0	10917	10536	12669	11502	10785	8139	97754	0	20094	22191	13836	19962	58488	16074	0	0	0	68859	175389	0	10317	8499	38757	35913	42813	0	82158	59037	24825	15675	17988	0	0	42498	159171	60480	21849	74835	27375	0	0	15636	18204	7188	11553	8976	9513	13449	0	10476	30162	63546	27447	71634	4185	13023	86526	26307	33015	16155	23340	0	0	8952	23622	109752	69879	0	36978	29085	63519	66279	66672	13065	21495	0	61167	9471	60177	0	4686	112689	Phytochemical	0.6818182	1.0909091	0.0
12	C21 H24 O14 N2	529.13	529.1311	0.41151142	529.13025	4543	3185	3313	3763	2136	2776	0	1531	7448	1877	0	2928	7516	0	1835	3907	3421	7165	6457	2281	5057	5401	4417	2943	0	0	1687	0	1809	1625	2839	0	3125	2544	6213	0	2725	1361	5124	3384	0	3121	0	0	0	4995	21580	0	1685	3696	3292	5179	3968	0	8924	5936	3792	0	0	0	0	4183	12330	6620	2844	6534	3636	0	0	0	2191	0	0	1344	2841	2506	0	2421	4572	0	2089	7398	0	1481	4908	2049	0	0	3952	0	0	2092	6911	8147	2913	0	3303	3188	6939	4266	6526	4731	2423	0	0	1597	2937	0	1511	10952	Phytochemical	0.6666667	1.1428572	0.0952381
28	C26 H24 O12	529.13403	529.1348	0.20096844	529.13416	3696	4972	4750	6001	9874	5626	1854	0	11435	18409	3206	1359	20416	4546	3422	0	0	11632	9751	8135	9888	12013	4862	0	2765	6160	2001	2618	0	0	0	0	0	0	20853	0	1354	1910	0	4820	4729	0	0	0	0	5520	8815	0	1214	0	5664	4306	6217	0	12529	7926	1993	1824	1936	0	1832	2870	20926	6977	2946	12062	2993	1417	6341	11648	12889	0	0	0	0	0	0	1302	5895	6165	4555	4317	0	4270	11689	5678	4198	2339	2042	1190	2790	4417	3312	9449	15486	0	5111	4688	5805	11203	13807	0	0	0	4004	0	9048	0	2470	14725	Phytochemical	0.46153846	0.9230769	0.0
26	C26 H24 O12	529.13403	529.1348	0.24100025	529.13416	7872	7674	8448	10084	17237	8064	0	0	15706	29711	9072	0	27207	12492	0	0	0	21484	14903	15528	16747	22157	0	0	0	8534	0	4447	0	0	0	0	1666	0	35643	0	0	3108	0	12639	9393	0	0	0	0	14459	13654	0	0	0	7629	7592	7307	0	17897	16883	4372	2474	2647	0	0	8356	27802	12383	5156	16364	4088	0	11997	23264	21976	0	0	0	0	0	0	0	8815	7642	9700	12000	0	9719	21886	8754	6440	3048	3128	2448	3966	3935	0	16128	29513	0	8886	7768	12276	19583	14583	0	0	0	0	0	11996	0	0	28576	Phytochemical	0.46153846	0.9230769	0.0
18	C26 H24 O12	529.13403	529.1349	0.16830476	529.13416	55555	51278	51456	50849	67123	38252	14858	11462	73112	212105	88889	14316	96707	36801	20914	14755	11460	88918	78556	107744	106101	106902	28421	19201	13259	66721	13930	56609	10281	7697	16132	10977	17999	11572	252491	9165	20942	20284	10605	66783	47339	22818	1606	0	0	101246	99430	0	13789	11737	50238	56930	45217	0	82314	61194	29886	19484	20278	10702	12952	54690	124885	56571	29012	86300	38821	6381	59863	97060	88308	9264	11022	6182	9853	6605	0	13795	47163	58660	36190	90644	17536	49545	75364	39686	37094	20046	30149	12113	26263	32163	25177	92754	135625	0	60475	48952	67803	61712	55971	12318	6783	17308	64911	13650	48189	0	16407	108088	Phytochemical	0.46153846	0.9230769	0.0
12	C26 H24 O12	529.13403	529.13495	0.1605535	529.13416	7111	6430	11564	8736	8572	3825	0	2770	11871	28786	13568	3590	10107	4371	3296	6444	3206	7449	9877	15278	16898	17836	3062	5113	2236	14609	2774	9357	1680	2654	4405	3697	3257	3391	39251	2672	0	3966	2878	7472	9415	2704	0	0	0	15037	22860	0	1886	4225	9469	10303	4632	0	5541	8367	3352	3461	0	0	0	3359	12230	9386	3330	9861	3383	0	0	15086	23761	1891	1787	1099	2898	4234	0	1900	8970	0	4900	11978	3672	8229	9660	6527	5938	3421	3790	6803	0	4083	2913	19590	15461	0	8849	5728	11214	11449	9319	0	2060	3492	0	1915	6171	0	3525	12908	Phytochemical	0.46153846	0.9230769	0.0
24	C26 H24 O12	529.13403	529.13477	0.18752594	529.13416	15619	14149	13779	17288	27119	12705	1800	2640	29880	60933	17684	3156	43861	14787	5198	5116	0	29815	24191	29873	26878	32928	7568	2161	4658	16177	1741	12203	0	1641	1528	0	3353	2328	75920	1477	2741	3469	3116	18885	15339	2939	0	0	0	25724	24342	0	2937	1625	14723	13572	15121	0	27532	21588	8659	2828	4667	3305	2318	12796	46605	23331	6700	29453	9233	4277	12907	32430	22549	1105	0	0	1795	1346	0	4957	14183	19031	14707	22662	3927	10927	34761	13195	12635	5490	3935	3000	4414	11514	5716	29260	50393	0	14681	16362	23349	32308	25897	1886	2101	2660	18700	1704	24246	0	3506	49209	Phytochemical	0.46153846	0.9230769	0.0
14	C26 H24 O12	529.13403	529.13495	0.18292299	529.13416	28486	19797	19751	18983	22039	11231	8723	7602	26658	85734	44582	9186	24400	12551	8189	6966	3696	19621	25866	47107	39040	44260	9619	6043	5073	32157	6534	20388	3015	4530	5282	0	7759	6004	97654	2220	7365	9967	6923	27307	31650	5505	0	0	0	30121	53006	0	6698	7005	17428	15563	11144	0	24106	18703	11665	10121	0	12636	0	21703	33369	20530	8048	23725	7537	7651	32038	39820	40221	4944	3101	4499	5325	4678	0	5956	18480	32214	19327	33282	7330	16521	27735	15775	15983	9138	9812	7453	2937	8106	8137	50170	41133	0	24241	11705	21209	24381	22799	6712	5766	9768	33734	8831	18898	0	7073	24391	Phytochemical	0.46153846	0.9230769	0.0
22	C26 H24 O12	529.13403	529.1348	0.20808797	529.13416	30421	30800	26661	23753	47609	27036	3881	6039	56107	109775	39919	3719	63038	25307	10622	7122	4685	44797	49101	54665	62155	58410	22043	9848	8845	38534	5711	27429	4801	3103	4720	0	5968	2630	124443	2466	7616	12694	3489	40444	27262	15651	0	0	0	63106	64045	0	5396	3682	34530	27110	30038	354	50409	43369	21302	5816	8108	3888	6319	26246	80111	44013	16781	53135	21323	3324	28723	58489	53910	4208	1960	0	0	0	0	8280	24993	31668	22355	46126	5549	22817	51424	25147	20346	11293	11502	2843	14877	21946	9791	65905	81478	0	27910	22527	46078	40399	39735	6804	3824	9639	45068	9039	39239	0	10943	71034	Phytochemical	0.46153846	0.9230769	0.0
20	C26 H24 O12	529.13403	529.1348	0.17369664	529.13416	55372	46391	36646	42462	67735	34903	11915	10558	78997	184795	76380	6480	96546	32935	19173	10859	5025	71510	75346	93459	87353	112736	22411	16402	16999	56778	11602	44054	9951	6572	8301	9491	13130	9891	207139	7127	18002	15387	8398	55953	42003	16877	1497	0	0	91691	85716	521	8895	7479	43632	44530	37933	519	73737	56602	29037	17355	17646	7819	16064	35832	125401	54750	28068	70723	26517	5834	54436	81847	71709	6455	8665	5352	7193	8354	345	8718	38939	53776	28999	64175	10434	49394	63813	40590	29869	18883	24536	9240	20014	31777	18592	82251	104854	0	45906	41713	67607	69581	63837	8384	5761	15264	67002	13702	45790	0	9072	104087	Phytochemical	0.46153846	0.9230769	0.0
10	C25 H24 O11 N2	529.14526	529.14624	0.20496282	529.1454	4781	8292	4591	5518	4601	2149	0	3386	8861	19183	7749	1072	7195	2606	1623	2701	2636	6825	7797	14179	16056	18931	2784	1474	0	4961	991	4326	1747	0	0	1384	2223	1030	25701	0	3337	1905	1202	12021	14978	1119	0	0	0	10982	17448	0	0	1768	5201	6719	2847	0	6143	5098	970	1831	0	2838	0	6664	10648	6233	0	8355	1941	2610	0	7256	12732	1339	1225	0	1172	1219	0	0	3417	8517	3201	9956	0	6517	7381	2205	2788	1195	3032	3630	0	4080	2391	12033	14076	0	7467	3304	5017	6267	7284	3559	941	0	0	2034	1929	0	1205	8792	Phytochemical	0.44	0.96	0.08
20	C22 H28 O11 N2 S1	529.1487	529.1497	0.46601525	529.1489	8492	13196	5234	9518	11853	3992	5269	1977	11708	35297	13260	3962	14420	5317	7209	4778	3014	9388	10076	18104	21448	22565	4637	7443	2054	16113	0	8003	2198	2689	4101	1672	3483	2448	43940	0	4254	1043	3771	23108	15297	5509	0	0	0	23090	24048	0	4182	1828	10632	8171	11161	0	10685	8031	4479	6174	2131	3908	5155	19281	22487	12556	5338	9575	9667	3526	15074	22870	30283	3951	3614	0	2598	0	0	3561	7186	24109	6630	13316	4351	12381	7332	4323	10583	5456	3432	5641	10848	7350	8628	26999	28379	0	9149	11696	9695	5576	8956	7790	3227	7075	21510	6616	8217	0	5553	16219	Organosulfur	0.5	1.2727273	0.09090909
16	C23 H28 O14	529.1552	529.15607	0.26347297	529.15533	46306	35198	39545	35280	33917	29189	18966	33757	45435	64468	25240	15313	66041	13131	36534	18554	15159	47251	43731	69008	48123	81364	35992	29605	20019	8126	15733	13917	32509	26855	34171	31723	41183	22216	83438	35952	37183	30027	13173	50780	27786	16135	546	0	0	133028	82316	0	27438	27593	33652	47748	28929	0	68206	26828	17970	25744	40202	12135	34199	36899	66885	40637	14855	33795	32302	13859	13869	23079	19205	35599	28633	35307	15071	27062	0	29641	23402	34368	22792	97348	19564	28606	26497	18958	22714	16153	20853	0	25051	40875	0	61922	65498	0	48645	38438	31974	18484	19764	32098	21691	32869	92678	36816	21507	0	15351	67079	Phytochemical	0.6086956	1.2173913	0.0
24	C18 H33 O14 S1 Na1	529.1561	529.1568	0.31254894	529.1563	3605	7148	5119	3348	2735	3677	0	1214	6049	15495	11432	1110	4541	0	2713	1657	1575	0	2143	22890	25132	18677	1526	2534	1420	35518	1449	29832	0	0	1257	0	1204	0	21470	0	2143	948	1405	16118	20922	0	0	0	0	17818	10382	0	0	0	3154	4463	3648	0	3774	0	2653	0	4303	2218	1620	19472	4674	2838	2509	4868	0	0	19637	25013	23926	0	0	0	0	0	0	0	1883	19344	1319	7096	2078	11845	5821	0	3750	1330	0	1733	9386	7592	3138	21040	17515	0	3018	4113	3302	7872	1985	0	0	2681	10655	1788	3565	0	1422	3385	Organosulfur	0.7777778	1.8333334	0.0
10	C18 H33 O14 S1 Na1	529.1561	529.1569	0.12160956	529.1562	8234	8582	9296	10139	0	3960	4493	8081	10024	14187	9323	5402	12169	2569	4861	9748	9073	8410	6327	11223	9331	0	6773	9657	3350	0	4813	0	5328	6610	4574	7099	4053	5699	14684	5859	5548	5786	8816	8895	0	4133	0	0	0	13501	21206	0	7697	4591	7314	9084	5088	0	7809	7364	4219	5723	7191	9559	0	5726	9870	9799	2505	8549	5856	6928	0	0	5562	6389	6652	4678	6722	6427	0	3658	7719	7321	5856	12004	4433	4092	6079	4391	6286	5175	4972	9945	3343	7028	8473	11316	12033	0	8151	10497	5767	7872	8650	6790	4705	8248	0	7260	5374	0	5917	13035	Organosulfur	0.7777778	1.8333334	0.0
14	C22 H28 O13 N2	529.16644	529.16736	0.23584548	529.16656	18148	17548	12203	16255	9774	9694	10905	22369	13971	9339	3662	9266	15599	2889	21366	14096	8011	17583	14777	14540	14890	23967	15556	16911	11055	0	9101	0	18344	16412	13418	14866	18853	9675	26135	12442	15080	16410	11001	19212	9434	9372	0	0	0	24752	18496	0	15352	12769	15019	10798	8314	0	31002	8065	6470	16702	20544	0	0	14815	19534	24138	6568	12419	9511	7838	0	0	2823	15073	12906	17938	9336	10481	0	16610	10355	0	12185	15848	8446	10579	7742	8436	9784	10739	8463	12815	7385	18311	26902	10623	16825	0	14014	16335	5251	4915	8963	17958	11947	12219	21194	11321	4615	0	6705	19155	Phytochemical	0.59090906	1.2727273	0.09090909
10	C22 H28 O13 N2	529.16644	529.1674	0.28905618	529.16656	24560	27088	22910	29278	13572	11196	16020	25206	20772	18900	13946	16730	29290	4950	17540	28502	27700	26104	26044	17374	26086	46052	23676	27376	9766	0	14986	0	17314	20692	18188	21470	34400	18436	22474	25950	30156	17158	24302	21074	22150	11328	0	0	0	24622	38532	0	25000	25844	29862	25948	16402	0	33744	14384	9524	28704	18618	20394	47966	15262	28628	31022	9608	20850	15272	29168	0	0	10326	31230	21336	19508	21005	20470	0	15502	19938	11818	12926	18058	10704	7276	14732	10698	15902	14946	15122	31558	10162	22300	44894	27230	22790	0	20702	30730	12710	15134	17594	28212	18756	21326	0	28130	13538	0	17312	38284	Phytochemical	0.59090906	1.2727273	0.09090909
26	C27 H28 O11	529.1704	529.17114	0.13282962	529.17053	17267	12206	16870	13993	22634	12022	0	6500	28876	49327	16442	4844	44838	12033	0	6096	0	27675	23822	32968	40793	21576	10314	0	5911	40417	0	14799	0	0	3051	0	5491	3778	54726	0	8147	4809	0	17937	17170	0	0	0	0	24174	24573	0	4381	0	18521	15181	13026	0	26219	23612	11815	5806	3633	0	7389	14864	40815	19934	6131	25140	11503	3503	29875	54946	51029	4462	0	0	0	3049	0	3853	15687	14934	9969	9791	0	16071	30311	10142	14474	6785	5716	2818	6710	7387	8511	21001	36912	0	20694	15438	18867	31876	26286	5981	3372	0	13775	3688	19500	0	5788	34919	Phytochemical	0.4074074	1.037037	0.0
14	C27 H28 O11	529.1704	529.1713	0.17134872	529.17053	26685	29428	28499	26332	20194	9629	19532	21918	20056	76868	53672	13049	18239	11323	14643	20766	15337	14556	22036	59642	53284	38169	15178	22187	12322	44210	15815	41483	13245	13376	16962	21160	16931	13024	82907	17871	17445	19512	17412	28203	50618	11966	0	0	0	31936	49589	0	20207	18607	28153	30685	16086	0	22274	15944	9785	22590	26401	12079	0	25598	23015	19450	10987	19069	13218	13852	45720	58806	69708	18060	18597	13930	18196	15105	0	12785	26522	18933	22182	30113	20912	33396	25712	16577	20645	11123	14501	23878	12245	17131	17085	34586	35039	0	36627	30968	21402	21440	20225	18312	13440	20307	30780	13776	20794	0	16643	21842	Phytochemical	0.4074074	1.037037	0.0
16	C27 H28 O11	529.1704	529.17126	0.1275639	529.17053	63215	64853	53233	55028	51207	31084	25417	36383	52230	169525	90317	25289	55530	30231	30355	40643	30440	55436	66130	140412	115746	76737	39827	34872	28495	122955	22025	71762	31030	35451	36292	41826	41959	25128	210394	30431	36954	29800	32654	69836	81496	24184	953	0	0	74253	83524	0	40230	27610	57615	66032	34689	0	49201	47718	26919	38687	32559	34432	45870	46748	66898	46863	26265	48269	31126	23930	100473	149773	157984	34227	32569	30488	27030	34768	0	19170	58917	51872	42895	65639	32943	67546	62197	30220	45442	23402	28890	51240	30654	44442	41809	56637	80165	0	69321	53562	55949	55515	50667	41104	26011	42280	55168	34928	46690	0	31285	67911	Phytochemical	0.4074074	1.037037	0.0
22	C27 H28 O11	529.1704	529.1712	0.13986261	529.17053	72213	65930	65814	61556	87815	56243	17421	26249	105466	229395	89478	19040	119831	54527	35578	33990	15815	99551	95038	175727	154188	88137	46249	31846	29505	132929	16998	82188	24409	16959	23395	22396	39419	20061	283318	19058	37826	30291	16076	100783	70320	18723	0	0	0	99970	89874	0	22081	18621	60971	62693	53908	0	112067	81281	38302	35258	26610	15700	30282	77118	125578	75584	35709	91208	40625	17605	119770	222335	186524	21397	18394	13177	13924	18204	558	18820	68748	47914	50085	74431	22792	68686	107315	51312	53121	26184	37706	21219	41073	49300	43754	67411	98795	0	67171	63215	79919	80624	74416	29160	19119	30333	72128	27900	65527	0	21984	125837	Phytochemical	0.4074074	1.037037	0.0
24	C27 H28 O11	529.1704	529.1712	0.15525086	529.17053	39956	34666	31726	32831	43028	26479	7956	10676	49274	111005	47893	7666	83755	22701	14488	10487	4634	52140	60171	77120	68099	37016	21009	15652	10065	64578	6472	41346	6891	5087	7281	11362	11863	6519	129650	7846	16200	14205	8146	39831	31502	10427	0	0	0	47632	49439	0	11650	9049	31603	26790	24452	0	55917	47983	14850	13280	11428	5655	12775	35352	82713	42854	17039	53580	16500	8116	65117	112514	94459	7181	7704	5696	3723	8744	0	9080	33247	27340	29117	34976	5930	28919	54158	30657	26992	11530	17377	10406	15007	19153	16654	36478	45356	0	32870	35005	41562	46928	49731	9658	8124	12785	31753	10111	35213	0	9531	70754	Phytochemical	0.4074074	1.037037	0.0
28	C27 H28 O11	529.1704	529.1712	0.22752935	529.17053	6719	6363	8314	6047	9851	6888	1460	2759	12806	22696	6594	1416	22963	6955	3760	4320	0	13301	13840	18503	14560	10411	6674	3652	3009	15272	1544	8000	0	0	1774	0	2141	1174	27662	2077	4271	3165	1992	7893	8172	0	0	0	0	8939	10261	0	1674	0	8457	7873	5353	0	15222	10368	3974	2773	1804	1410	3150	6514	21782	9454	4222	14365	3565	1705	18956	26206	32082	0	0	0	0	0	0	1798	8821	7639	6221	5415	1344	7972	15846	5304	5629	2793	3724	2964	2730	5133	2861	8952	13712	0	7652	7861	8174	11748	12916	0	0	2531	5786	3431	7218	0	2155	17667	Phytochemical	0.4074074	1.037037	0.0
20	C27 H28 O11	529.1704	529.17114	0.096758656	529.1705	112946	93313	101001	90837	113571	75363	34412	42322	133565	344945	152081	33351	151162	66416	51293	39967	29515	136070	134635	238103	213822	140813	60574	50541	38324	214337	29103	120984	42115	35118	39051	35885	48197	36870	387738	30936	62463	44691	31425	135070	115908	41098	2404	0	0	145744	121530	536	41139	35981	101237	101947	71562	0	119066	100038	52437	48384	48087	26368	40436	95340	175484	100824	51906	122661	58226	29280	164914	292859	258557	42646	34716	26786	28021	35982	0	31566	84989	77361	65932	98010	43420	132702	110829	70007	77415	38801	45860	43241	75761	70023	67597	104818	136492	646	90197	95539	113905	102937	92538	44250	34919	56728	111253	48229	96490	0	35819	175080	Phytochemical	0.4074074	1.037037	0.0
8	C26 H28 O10 N2	529.1817	529.1826	0.13367012	529.18176	13405	6640	6692	8534	2376	1515	4503	7010	4002	18505	8152	7162	7085	0	4737	8588	16872	4181	5566	15087	22113	11700	5037	8626	3384	5795	5149	6428	6329	6055	5426	4722	8956	5023	21614	7590	7696	2417	15259	16937	18875	3133	0	0	0	8025	19987	0	9731	8148	7792	9371	3574	0	4568	2964	2154	6255	3795	14235	9292	5999	7911	3610	4081	5276	4819	20361	5214	9019	10317	3611	5466	5835	7669	7986	0	3377	8248	3867	5179	6367	5383	11010	4206	0	6078	4286	4902	13983	0	0	10444	6070	12534	0	7507	9792	2087	4893	0	8846	3972	9659	0	6390	3100	0	4175	4747	Phytochemical	0.3846154	1.0769231	0.07692308
0	C26 H33 O8 S1 Na1	529.18665	529.1879	0.5281413	529.18695	20042	22985	21668	20296	0	0	10751	27683	0	0	0	9065	0	0	4133	0	86911	0	0	0	0	5078	3078	24571	2936	0	0	0	10860	11026	6574	8821	47145	4717	0	7348	57472	4972	126816	0	0	0	0	0	0	4418	0	0	26234	8631	15436	16361	2901	0	0	0	0	97018	0	0	0	0	0	0	1792	1881	0	139221	0	3742	1708	8085	10223	5552	0	22499	0	7614	1361	0	995	0	0	0	0	1594	0	2560	0	5228	3022	0	24498	0	0	0	18740	19348	0	0	0	26934	6758	0	0	40857	0	0	7849	0	Organosulfur	0.30769232	1.2692307	0.0
22	C28 H32 O8 S1	529.1891	529.18994	0.61691254	529.1894	10531	8123	15967	9747	8634	0	2245	12899	9117	20095	26712	1895	11857	0	11180	15422	6875	5463	9471	27319	34155	33082	5951	8555	15016	44813	4802	26338	8962	6436	6498	5662	10724	6254	44725	6747	8440	6205	4145	43104	44720	2753	0	0	0	23998	14111	0	8366	7163	7262	12675	11839	0	8770	5550	3864	4685	10746	13666	13961	20309	6781	4885	4358	7318	0	0	59740	46768	57552	8517	5965	6615	3756	5225	0	4617	5885	17150	4713	25713	10123	19993	17036	3059	7923	5414	13197	8477	17577	17686	8498	36312	20683	0	19307	20633	7693	8759	5895	10637	3117	8057	16769	7313	5001	0	4968	9420	Organosulfur	0.2857143	1.1428572	0.0
8	C22 H32 O9 N4 S1	529.1963	529.19727	0.33629805	529.1965	16555	21928	24116	30701	9944	8632	25676	22931	13475	13476	11456	16688	15095	0	21453	25820	26204	19037	24465	23340	29064	33908	25716	49240	26248	4908	13556	0	52569	22108	20621	22432	39054	30446	28280	33746	34025	17800	39343	22752	0	13271	0	0	0	28484	21148	0	41771	26940	28087	28009	12844	0	18204	5177	6760	21150	15569	15280	23708	14196	16572	13513	0	17350	15594	35856	0	12304	12184	27337	35941	23587	20543	22762	0	17865	26763	4573	15268	10856	18892	15280	10679	21564	26535	17452	18484	57846	0	34688	72820	12672	16416	0	21076	26799	6840	7016	0	31432	19509	40392	0	33353	8468	0	27300	13807	Peptide	0.4090909	1.4545455	0.18181819
14	C23 H32 O12 N2	529.2028	529.20374	0.17667454	529.2029	175068	257619	171392	250204	115328	99971	164146	266242	159300	375903	220841	116136	170667	52733	200102	316842	220515	187232	251493	319517	248529	230073	268632	370547	256789	140758	173525	130728	283822	313593	249977	189089	314973	246002	266146	302410	268959	216919	235557	202165	141343	143708	0	0	0	415018	315323	0	278666	288385	150279	151815	130829	0	162661	75894	65736	286632	279769	113671	189269	227711	103110	164803	96761	131760	145763	163483	100490	208563	157947	150800	250779	206626	144747	227295	0	165150	217163	59535	130632	235863	208923	117260	99223	79800	194661	88007	94915	173809	233816	224058	274181	108109	178461	0	169179	296216	124438	86552	82094	328882	165007	370972	146207	234378	89378	0	135978	104605	Lipid	0.5217391	1.3913044	0.08695652
12	C23 H32 O12 N2	529.2028	529.2038	0.25801978	529.20294	11415	10951	9465	8197	2789	4564	8356	15177	4333	9034	0	8046	7342	2974	14299	11934	8927	9500	10612	20020	10984	14150	10803	11844	14270	1752	7569	0	14426	11304	16449	11134	21794	9706	14623	14317	12650	9322	8659	10923	4484	4740	0	0	0	9536	3950	0	12063	12452	11633	12825	5106	0	13531	5615	3216	14611	13112	0	0	7478	9029	6936	2619	8495	8319	12475	0	3445	0	13122	9118	15134	6723	9071	0	13362	10748	0	7788	8312	11409	5953	5534	5841	8128	4613	6909	15306	6529	18095	27529	6736	6043	0	9665	7330	4268	4504	4801	10320	11010	14273	0	14352	5524	0	11848	10565	Lipid	0.5217391	1.3913044	0.08695652
24	C28 H32 O10	529.20685	529.2076	0.13334775	529.2069	82925	86889	80547	84160	103393	62122	25692	45877	110147	229904	119068	34857	152380	63244	48827	61720	25110	112519	123902	197032	171849	93918	65439	54401	46727	202756	25773	97914	41159	35706	39932	42226	59819	40114	259182	39641	63003	42578	35288	133119	93713	34403	0	0	0	98553	77842	0	49179	37100	90102	81412	73763	0	118266	102104	46517	51642	49483	28076	54482	79550	134366	94361	43104	106149	51232	33246	170825	294452	276123	41843	34191	32415	25413	34864	0	39026	90976	46732	67024	62709	31187	84974	121291	60872	74442	35281	45168	39633	59346	61882	78590	65282	89890	0	84750	84821	78610	101051	109425	49295	33284	55964	61858	44615	80031	0	41578	135750	Phytochemical	0.35714287	1.1428572	0.0
26	C28 H32 O10	529.20685	529.20764	0.13934936	529.2069	33772	33243	31255	30263	44712	23458	6237	16415	50529	82360	45714	10868	76605	24640	22751	19697	17205	58370	49048	79161	67151	34275	21766	18288	12832	91542	6265	37476	11377	11197	15495	12739	24743	13985	89584	12385	22672	18958	13124	51506	43621	14067	0	0	0	35687	29144	0	19517	16077	33291	32097	28500	0	50467	50558	17849	21373	9942	6848	22652	31373	67421	42935	17859	49444	22698	11760	87174	118793	129481	18648	10626	7869	9468	12917	0	11627	37660	28909	32018	22334	13461	32157	53157	30562	33581	16927	16421	14986	16456	24384	25212	23353	43658	0	38962	32442	37586	59627	50673	19504	9075	23368	21414	16382	37685	0	14704	63207	Phytochemical	0.35714287	1.1428572	0.0
28	C28 H32 O10	529.20685	529.2076	0.11266427	529.2069	12218	10687	11639	9974	15467	9382	3559	4555	14468	30618	14996	2633	34891	10346	6609	9781	5008	16321	17894	24486	27243	11736	9547	8413	5723	37343	4110	16024	4710	4844	4814	4085	7986	4982	35796	5367	9093	4619	4289	16169	14528	4022	0	0	0	10535	12420	0	5232	5629	14077	11911	10680	0	18702	14441	5657	6471	5716	3365	7573	10060	24276	16355	6236	19549	7392	4185	31929	52902	55271	4623	3721	3199	0	2574	0	5768	13706	6701	11495	6316	3776	10721	20064	7723	14989	5863	5363	4255	8436	10656	10624	10053	13658	0	13113	10931	11470	19385	21790	6576	2616	5260	6284	7097	13958	0	6101	21924	Phytochemical	0.35714287	1.1428572	0.0
22	C28 H32 O10	529.20685	529.2076	0.13682237	529.2069	162700	166050	158183	163802	178966	114632	66588	120749	205907	435871	250145	64062	224736	119298	101858	119107	60035	200425	188815	384484	355077	173841	120604	132954	96691	397889	58648	215848	91752	78584	97417	103304	119141	90773	519028	88589	122403	97797	61726	243676	170669	80129	0	0	0	184889	156000	0	99345	86651	169649	150848	138427	636	222794	167072	88888	104931	94149	59889	112182	164957	249934	166568	78522	187360	107397	66030	314251	560504	500872	105132	82206	82863	50574	83097	0	85325	165053	90536	133225	120667	79597	173628	209868	104833	138320	77499	85183	95830	129815	127047	148581	116450	179092	0	159593	165629	158576	168848	169849	114599	67258	113125	119199	104346	155293	0	97912	239761	Phytochemical	0.35714287	1.1428572	0.0
10	C27 H32 O9 N2	529.2181	529.21893	0.16840848	529.21814	7368	6946	5148	6400	4683	3288	4826	8248	3419	16411	10955	3379	3690	3531	5261	5278	4563	1745	2627	17949	19627	15314	3231	6851	3706	9704	5996	5330	7298	3763	4483	7900	8178	6254	20583	5196	6955	2707	4680	16849	13969	2957	0	0	0	10253	7031	0	7942	6505	5788	6369	3198	0	2367	1687	3713	9714	2518	2636	0	6917	2355	3969	1039	1925	2808	4702	0	16353	8823	7438	4039	6663	2208	4349	0	3954	5574	0	3799	3154	3572	9444	2857	1835	6524	2607	4188	11513	6906	5880	13513	8430	17390	0	7824	3523	2553	2496	3039	6538	3029	5883	0	5350	1889	0	5210	2441	Phytochemical	0.33333334	1.1851852	0.074074075
6	C27 H32 O9 N2	529.2181	529.21906	0.22499946	529.2182	5372	7115	4432	6720	2949	8667	63418	2871	2280	6406	7753	7953	0	586	11952	2972	0	3845	8608	10602	8659	2513	2844	2701	4593	1871	58750	5302	7506	2865	4513	7984	13040	6517	8142	6308	13391	11951	1395	5534	1416	22073	0	0	0	3876	2725	0	7643	2139	5620	5632	11276	0	2635	459	24829	3603	11988	1107	3002	7239	986	2818	11470	8890	23812	0	0	2039	3527	2860	1825	1771	1518	2690	0	10565	10365	0	19123	4214	24461	6660	1258	16174	5427	9302	17883	3312	0	0	3912	3094	4034	0	7222	5775	4438	887	774	16370	9048	14978	0	2923	2229	0	6053	879	Phytochemical	0.33333334	1.1851852	0.074074075
14	C20 H41 O12 S1 Na1	529.22894	529.22974	0.1416613	529.229	44126	38031	42320	39346	9814	19080	42915	51788	19025	34830	20976	23415	17410	8835	38321	64285	37892	24435	30726	33490	27143	21873	28453	59277	39836	10704	38046	0	44973	36283	32594	45678	70770	33031	40145	57303	48491	27380	47478	25104	21192	14466	0	0	0	31309	0	0	52675	33239	29865	39416	14603	0	35386	12118	10674	49513	48660	25782	74745	14679	7854	10620	18141	14805	23258	58578	0	24963	11421	36450	44254	53197	32161	39778	0	39645	27125	59535	30265	19627	33652	19519	13760	9576	45481	14589	21579	52363	127431	58812	49261	14088	28565	0	33689	35147	6192	20974	11360	46841	26965	42506	0	33674	13689	0	32164	19317	Organosulfur	0.6	2.05	0.0
16	C29 H36 O9	529.2432	529.244	0.067563124	529.2432	53600	47308	44626	46603	24649	18027	41913	48213	32258	44066	28196	36215	30028	16578	36035	50046	79348	19350	36971	52956	44502	33662	39422	57450	35670	56557	41724	29541	34659	43301	42112	43666	42606	29073	50276	43780	42945	37648	98265	28301	47580	22230	490	0	0	29550	38832	0	53235	43640	43055	46427	23839	0	29423	35047	21642	45764	30747	41634	44988	19190	35192	31344	18280	23885	26645	92806	49968	57366	80308	28109	37539	54016	55821	41513	0	32131	59983	23699	44351	29577	39738	27537	36004	22280	64245	21534	25815	84142	40483	40881	67385	22018	32667	0	45096	43623	30214	45283	45666	50800	29308	45824	21328	49002	29418	0	50799	30061	Phytochemical	0.31034482	1.2413793	0.0
18	C29 H36 O9	529.2432	529.24396	0.08188198	529.2432	124983	130236	116484	111019	100530	55221	103973	128191	94227	136378	115748	83818	112288	52525	104106	142513	114044	76719	113347	177514	166338	104509	116272	120541	99030	190910	103178	99953	92917	105789	110910	118067	137280	98210	148842	123215	118162	98072	138769	116141	121395	70041	2012	0	0	86449	91310	0	112288	109982	119974	117641	78542	0	113846	100542	71323	127759	81749	92862	113281	79533	112454	92577	61751	92892	64326	146805	161674	217519	284852	76601	77216	103459	122705	118040	0	83494	161468	81516	130487	73694	100453	91307	123094	84580	148980	58085	72554	148982	99013	115052	120073	69282	88957	0	122282	126734	88569	122185	117038	132171	77963	122179	52686	92684	89748	0	136945	90370	Phytochemical	0.31034482	1.2413793	0.0
24	C29 H36 O9	529.2432	529.24396	0.14023799	529.2433	223778	216959	214788	206606	230093	150969	90291	167811	249644	419508	270223	94366	325574	136666	152220	179972	104689	225238	318932	497830	401564	193166	180704	194240	138712	522442	92085	263487	147705	141816	147443	144753	178641	139948	544393	158407	220852	124884	118280	298710	214027	111890	6281	0	0	203109	141614	0	166873	146519	225946	214233	163799	0	295241	215711	113294	179010	146037	86244	187245	190816	292621	216308	95022	233476	143679	122545	431525	736512	614750	158866	134100	128477	94665	129179	0	123082	241882	115084	173819	130840	118851	198123	266520	155886	193416	107844	135816	134004	176951	212640	237364	142564	198370	0	201419	203311	176933	243110	247440	185211	102167	194222	110932	167010	199090	0	119815	279040	Phytochemical	0.31034482	1.2413793	0.0
26	C29 H36 O9	529.2432	529.24396	0.11185244	529.2433	81194	79484	83326	76988	96620	61087	39058	111388	102848	134700	103896	42064	144092	65130	71611	61847	33514	99005	116177	182744	176226	72764	68783	70399	51385	193900	32786	98392	60742	66694	67511	49699	67197	48427	177605	61117	79541	55498	41711	114047	85099	48298	0	0	0	78748	64298	0	66881	64289	83052	78379	75318	0	122537	106520	45895	72788	60362	29701	76211	72471	120742	89663	37407	100856	62196	46430	192737	278316	256869	72710	49384	60328	42242	51786	0	51917	93977	56904	67445	53715	52843	74840	124981	58494	83674	46029	47858	44786	59895	62608	98310	46248	77727	0	86571	91949	71850	123514	127318	65016	49369	80668	53113	53808	79781	0	48317	112253	Phytochemical	0.31034482	1.2413793	0.0
28	C29 H36 O9	529.2432	529.24396	0.0896838	529.2433	20257	19720	22722	18961	30420	13694	8346	14738	26672	36018	24531	6761	42332	14655	14410	18048	10553	25783	30438	32276	41522	15774	19366	14725	11608	63152	10276	24819	14999	12984	13170	11159	17066	10571	42723	11227	15908	11121	11178	23925	21931	8710	0	0	0	16072	15407	0	13491	12056	19417	18716	21241	0	30779	31514	11351	17358	7268	5719	18116	15757	32557	21662	8234	26183	14701	13126	61546	75202	89169	11663	9932	10365	6126	9964	0	9625	24486	14960	15126	9950	8984	19873	35857	13309	23145	9810	11097	14151	17574	18100	19686	12505	12144	0	17039	16758	16181	38797	32214	17565	7896	16833	11168	12689	23138	0	12205	27271	Phytochemical	0.31034482	1.2413793	0.0
2	C30 H40 O6 S1	529.26184	529.2626	-0.33263078	529.26166	0	0	0	0	0	0	0	0	0	0	0	359	0	0	430	0	0	0	0	0	0	0	0	0	0	0	0	3555	0	0	0	0	0	0	0	490	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22274	0	0	0	0	0	0	515	0	0	0	2463	1267	0	669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2	1.3333334	0.0
6	C30 H40 O6 S1	529.26184	529.2625	-0.15161462	529.2618	650	0	0	0	0	648	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3892	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	822	791	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26701	0	0	0	0	0	0	0	0	0	0	16996	6975	1205	2584	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2	1.3333334	0.0
14	C27 H36 O7 N4	529.2657	529.266	-0.21085048	529.26556	0	3441	1638	1611	0	2041	0	2975	0	0	0	2345	0	0	1306	0	2927	0	2151	0	2904	0	0	0	0	0	2031	0	0	4948	3310	0	2089	1268	0	3216	2620	0	3379	1525	0	1922	0	0	0	1663	0	0	7958	1991	0	2178	0	0	0	0	0	3483	0	0	0	0	0	0	0	0	0	1995	0	0	0	2540	1523	2873	4000	2267	0	2965	3405	0	1108	1185	1330	959	0	0	1751	0	0	0	33799	2620	2897	0	1726	0	2239	0	0	1151	0	0	1592	0	0	2114	0	0	2316	0	Peptide	0.25925925	1.3333334	0.14814815
8	C27 H36 O7 N4	529.2657	529.266	-0.023197755	529.2657	914	938	1156	0	0	0	0	0	0	0	0	0	0	0	832	0	0	0	0	0	0	0	0	0	857	0	0	6073	0	0	0	0	991	0	0	1011	0	0	1336	0	0	0	0	0	0	1859	0	0	2045	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	856	0	0	1185	995	0	593	0	21433	834	0	0	0	0	0	994	0	0	1360	16781	6077	0	0	0	0	1110	0	0	0	0	0	0	0	0	0	0	0	1247	0	Peptide	0.25925925	1.3333334	0.14814815
24	C30 H40 O8	529.2796	529.28033	0.12900697	529.27966	297924	308717	286252	280659	383649	180960	163661	253582	343628	391164	339468	154780	363754	192411	222248	298393	219930	292769	455785	509835	447190	242603	242052	281222	198639	633381	158709	346361	248014	240713	221837	247122	319586	190082	500062	265114	316046	206275	233695	350842	264961	170320	5222	0	0	219337	190875	0	263611	219956	295352	289833	274547	0	437986	341479	178195	277537	214792	150675	271462	228204	379995	297833	145394	294900	206810	233677	498353	735733	667784	193445	187363	207195	185905	228607	0	179870	345191	167149	281867	161733	207679	237242	410203	248693	339739	161856	206221	228685	261030	292139	351783	201570	246425	0	285330	283219	244709	391437	419825	320421	151154	332531	147521	240504	326747	0	203624	341212	Lipid	0.26666668	1.3333334	0.0
20	C30 H40 O8	529.2796	529.28033	0.05911272	529.2796	105229	113154	102895	96953	126282	55732	85745	92605	111026	78236	79099	73871	94847	74483	99682	126125	138177	81677	126225	126738	113662	78450	88383	102964	84544	150482	101079	83307	99561	98273	74607	92627	102754	68646	98368	94707	106854	86596	144153	71390	97950	66389	2041	0	0	74843	80617	0	102011	81255	92013	103296	100343	240	127312	118558	76997	126073	67051	83335	105115	55677	106587	90171	74124	101891	72375	159150	111519	141593	178486	60069	74322	95792	132048	82155	0	72558	153349	68817	112694	47809	87606	77822	154549	87402	157561	58670	78086	150586	108059	104458	129657	63152	69281	0	100497	108405	97520	157464	173897	121134	77495	109039	57463	101519	114847	0	103334	110388	Lipid	0.26666668	1.3333334	0.0
18	C30 H40 O8	529.2796	529.28033	0.052399512	529.2796	29868	28637	28202	38191	26866	15671	37775	38846	31465	17464	20176	25504	28801	21077	29995	42693	55657	20051	32553	21564	32516	24691	31529	33138	23987	36733	41496	18991	35847	31624	31308	40651	31383	19381	22656	34206	26251	36610	64397	14912	23442	19427	284	0	0	12005	22679	0	31506	33522	32672	40430	26272	0	42861	41664	23419	36592	21530	39202	24999	13892	30307	27727	19375	31753	28750	73450	29446	32702	48020	12568	19507	33941	52383	34556	0	22948	60901	21961	41256	20032	32677	19163	55283	30930	63190	14760	16522	51679	30815	25487	35314	19747	27764	0	35733	30373	29736	62816	55193	43028	24363	31787	10224	33754	36019	0	36452	26320	Lipid	0.26666668	1.3333334	0.0
22	C30 H40 O8	529.2796	529.28033	0.08844311	529.27966	280101	265095	241090	288541	308028	182812	201078	285656	280269	292473	257431	157523	269422	152276	250595	318296	278201	260223	342549	355427	307015	209621	243422	284489	246400	433780	182947	236101	271711	280498	239176	283540	354165	227107	316359	285264	313800	239550	277737	236858	267015	180429	0	0	291	221376	177255	0	285666	277306	274140	264732	266023	375	361654	282692	164493	322365	227972	157072	283520	191187	288463	282736	157539	252560	194836	300068	326267	489472	487087	210189	179851	219658	238600	251489	0	205199	344944	153767	258773	113931	216504	197428	346021	214303	351026	152575	190235	296742	261577	358014	340382	143752	233406	0	221785	264987	212224	341780	343947	338715	173371	276390	143479	240555	281650	0	243394	281021	Lipid	0.26666668	1.3333334	0.0
26	C30 H40 O8	529.2796	529.2804	0.13434598	529.27966	180789	158440	153317	151255	221985	115698	84109	171792	214380	201189	200529	81671	236044	128114	151740	166003	108730	190224	277977	317680	283342	151266	150158	177550	152900	389430	73496	218071	165456	145914	130192	149931	181645	115633	287068	165015	193111	113873	110538	212400	154861	113467	0	0	0	159668	101725	0	143100	147269	171688	158751	154953	0	273862	242579	101776	175374	133757	78635	167657	134399	218760	187180	76913	176684	140197	115337	334639	443646	372401	118102	115011	141517	87665	127096	0	112029	195161	116137	149487	92562	124774	171988	273183	158783	186995	93288	110493	114851	152720	172752	196113	127483	148512	0	157684	182364	148786	269947	274755	206527	87896	181647	106619	130078	206796	0	118529	192164	Lipid	0.26666668	1.3333334	0.0
6	C31 H44 O5 S1	529.2982	529.2984	-0.26721942	529.2981	0	0	568	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52802	0	0	0	0	0	0	0	0	0	0	37103	14650	0	2682	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.16129032	1.4193548	0.0
22	C31 H44 O7	529.316	529.31665	0.007578004	529.316	35004	39227	30850	36750	40698	25958	49958	36180	40600	13180	25779	23375	30413	26243	37693	43654	63779	33679	53477	20614	20415	22317	31304	30848	35148	32557	44295	24782	37536	30530	29149	30345	46710	18870	21588	46143	39937	41612	69550	15083	19341	30308	0	0	0	16125	13747	0	33728	31704	38377	38181	32878	0	67853	58497	34701	40966	26033	24949	35469	15910	42936	42662	31271	30211	33660	75137	22870	24533	35796	17607	19876	36077	50983	29907	0	28225	54383	22799	39740	15907	36658	20643	72636	47680	80487	22469	29961	63348	38477	53098	48491	18695	25557	0	30501	30433	37301	74359	68324	53279	28737	35608	13264	28303	53653	0	42741	27400	Lipid	0.22580644	1.4193548	0.0
28	C31 H44 O7	529.316	529.3167	0.0720577	529.31604	40107	27646	34708	32484	48057	20985	52761	38135	42573	20663	31858	18343	37620	25500	31688	26712	32738	32150	61973	41092	29516	27396	26373	26984	50876	58165	136755	43188	94212	40186	32519	34956	60127	24783	32430	49348	48118	38579	33362	30745	19452	29925	0	0	0	22931	10181	0	30923	30931	34550	28455	35514	0	66837	62536	25805	38069	35503	11098	34256	25551	42804	40792	20385	39331	28117	33885	39854	48768	34522	17403	170164	38327	13025	30214	0	23021	53117	32186	28367	22648	43295	34148	73389	38128	59394	16953	26003	28994	38286	40029	41793	27024	15480	0	33738	29601	33321	84216	90804	58075	19303	39297	21599	33679	67377	0	34206	30546	Lipid	0.22580644	1.4193548	0.0
20	C31 H44 O7	529.316	529.3167	0.046525292	529.316	5818	5501	8761	8455	4425	3164	11787	5716	8466	0	4608	6751	7524	6131	9860	13725	23525	2590	7061	4334	2773	1691	3049	5399	6975	3748	16374	2333	7574	6863	4765	8529	13045	2957	2389	9606	11843	5802	28299	0	0	7791	0	0	0	0	2527	0	5875	4665	6030	5603	6403	0	12458	13487	7710	10887	2965	7045	7255	2365	4249	7494	8889	3759	4265	24271	2796	3380	3473	1278	2831	6848	19964	6537	0	4957	15283	4496	11633	2603	7460	0	15306	9342	21097	1418	7760	15588	8591	5249	9173	1819	3618	0	7770	9590	8805	18586	23262	8689	6878	5005	1907	6467	12355	0	11633	3576	Lipid	0.22580644	1.4193548	0.0
24	C31 H44 O7	529.316	529.31665	0.046797123	529.316	103254	101071	89413	94902	120459	57365	85656	80415	119117	68600	83501	53375	101319	73560	90372	117645	114467	86300	160084	94751	73235	73204	77285	77936	92236	125754	80148	86958	81384	87493	74789	94601	109579	53429	84318	102171	113469	85750	117290	74828	74090	67765	0	0	0	58061	47385	0	90164	75013	93375	96778	99619	0	172378	135889	77389	103389	78751	49255	86715	59501	114951	103167	67809	88506	79383	122374	85011	116551	119068	47471	60755	83520	74201	80840	0	65140	118876	64168	89137	48139	79321	70358	177031	104608	132003	53034	75772	114465	104009	108423	119248	57384	67014	0	93676	99193	94740	160707	184170	126386	60732	102770	49356	85361	129476	0	91740	80263	Lipid	0.22580644	1.4193548	0.0
26	C31 H44 O7	529.316	529.3167	0.075192615	529.31604	117853	110884	107182	114573	165331	69974	102594	105901	170216	85086	107379	61090	130552	100465	116739	121840	106255	133269	223907	150460	111547	91628	97154	106118	143190	173000	101428	150820	136677	123681	95282	107152	139750	73642	110689	140343	146304	93418	101688	110786	84174	114601	0	0	0	83605	50741	0	103732	103978	116440	106805	135899	0	233569	190690	94426	126913	119499	54460	111971	84112	143584	133385	67849	115564	117673	116853	153338	158476	127921	67458	89693	123134	75414	107152	0	76374	148860	86298	103721	69316	120677	114714	226435	163515	154073	72043	94941	104758	121238	149129	152579	85999	82237	0	107787	129984	109627	224430	251221	178354	74066	143825	74477	88179	186869	0	107057	112858	Lipid	0.22580644	1.4193548	0.0
14	C24 H48 O12	529.32184	529.3227	0.25764883	529.32196	0	2647	5764	1921	0	0	4801	0	0	0	5163	0	0	0	0	0	0	0	0	0	0	5015	0	4766	0	0	1414	27849	0	0	0	0	0	0	0	0	0	0	0	0	6574	0	0	0	0	0	10535	0	0	0	0	0	0	0	0	0	0	5077	0	41039	49788	0	0	0	0	0	0	0	18678	0	1372	0	0	0	0	0	0	0	0	44998	0	0	0	0	0	0	0	0	0	10138	0	0	0	0	0	0	3971	0	0	0	0	0	0	1826	0	0	0	0	0	0	Lipid	0.5	2.0	0.0
10	C32 H48 O4 S1	529.3346	529.3349	-0.04410877	529.3346	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18202	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31045	0	0	0	0	0	0	0	0	0	0	51167	23631	0	1973	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.125	1.5	0.0
2	C32 H48 O4 S1	529.3346	529.3359	0.19507535	529.3347	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1067	0	0	0	0	0	0	0	0	872	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	553	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	450	0	0	0	0	0	0	0	0	0	0	0	0	0	12925	0	0	0	0	0	394	0	0	0	0	23992	15211	0	414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.125	1.5	0.0
8	C32 H48 O4 S1	529.3346	529.3349	-0.18354608	529.33453	0	0	0	0	0	790	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15789	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21091	0	0	0	0	0	0	0	0	0	0	12883	8582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.125	1.5	0.0
24	C32 H48 O6	529.35236	529.3531	0.13171206	529.3524	3305	3064	5010	6302	1480	1727	13802	1839	5992	0	2893	2675	1847	5037	3740	15931	24047	1839	5910	0	0	0	3927	1813	7063	2787	10862	4004	5593	4618	3442	7346	4703	1245	1565	8411	5873	4078	30804	1032	2063	2740	0	0	0	1170	1325	0	5018	5287	6128	5937	3153	0	10360	8427	4412	10212	3573	2962	6995	0	3337	3585	2229	1978	6092	41647	0	0	1240	0	2100	9898	6390	4739	0	2696	6985	2302	3961	794	5916	2731	9078	6441	17875	1335	3437	18279	5661	4500	6988	2802	0	0	5802	6189	5491	17722	20984	9143	3266	3747	0	6716	9095	0	7618	0	Lipid	0.1875	1.5	0.0
26	C32 H48 O6	529.35236	529.353	-0.010084383	529.35236	17468	13999	11839	14179	8329	5071	28435	9790	14840	2435	7951	8529	5462	13333	10159	25013	36673	5549	18661	0	4779	5775	7442	5231	22690	12312	30809	13580	20068	14651	11455	12028	22509	5811	6454	16271	15137	16633	39606	5026	8031	11257	0	0	0	0	0	0	12864	11437	15157	13878	13747	0	24272	31104	14597	46351	12775	10524	20224	5406	7680	13467	9522	10701	13536	49279	5902	4200	8079	3585	7524	16356	15302	14679	0	9339	22490	9768	9867	5007	17119	11230	29211	20647	32431	7677	10935	28412	17695	17356	16526	7120	0	0	18606	13998	11910	42682	44220	30065	9573	15459	8053	18969	23925	0	16772	5519	Lipid	0.1875	1.5	0.0
28	C32 H48 O6	529.35236	529.353	0.020468572	529.35236	6555	5767	7700	6424	6216	3215	20615	8023	7894	875	5214	4242	5821	5778	6855	12344	17528	4812	12408	2084	0	4191	4174	4925	15132	5413	15836	8897	11974	7782	6412	9321	14202	6050	1605	13405	10626	9799	17404	2571	3214	6174	0	0	0	2110	2781	0	8147	7794	6010	7999	7584	0	18368	14042	7729	17893	11610	3071	7754	5098	5527	7741	8083	7265	10838	22560	5229	3352	4238	3529	5163	11647	3782	7079	0	5430	12211	10549	6048	3858	10125	7290	22078	10722	24152	4423	5953	12526	7677	10114	5291	5463	0	0	8095	6287	6902	27587	38035	14016	4599	9466	5983	11144	15836	0	9296	3237	Lipid	0.1875	1.5	0.0
28	C24 H19 O11 N1 S1	530.07513	530.07605	0.14958037	530.07526	0	0	1893	1984	4609	2512	0	0	4880	3086	0	0	10073	0	0	0	0	3899	3047	0	0	3662	0	0	0	0	0	0	0	0	0	0	0	0	4234	0	0	0	0	1637	1409	0	0	0	0	0	7298	0	0	0	1468	0	1858	0	3231	3116	1982	0	0	0	0	1862	8370	4271	0	2682	1387	0	0	0	1333	0	0	0	0	0	0	0	1086	0	0	0	0	1287	2571	0	0	0	1561	0	0	794	0	7938	7820	0	1425	2143	4441	1247	1998	0	0	0	6741	0	3178	0	0	25066	Organosulfur	0.45833334	0.7916667	0.041666668
18	C24 H19 O13 N1	530.0929	530.09375	0.18290137	530.093	24770	22595	18446	15158	28134	12630	2382	3734	34691	39718	23092	3068	57352	7760	7674	3240	4706	34302	34554	28478	35866	82868	7748	9612	5508	4670	2100	3308	0	0	0	0	0	0	54888	0	5796	2536	3530	17587	28158	5954	0	0	0	39535	59591	0	0	0	26730	17004	10416	0	49969	39560	15579	5502	1187	4740	4794	22218	75075	39237	12457	36528	8120	0	7306	6046	11788	0	0	0	2438	0	0	2480	14623	53705	6750	31234	0	6578	37160	18906	13144	9720	7606	7586	0	5728	10204	95760	91249	0	12664	15739	34220	35368	38214	3446	2342	4886	35314	0	22658	0	4504	56346	Phytochemical	0.5416667	0.7916667	0.041666668
24	C24 H19 O13 N1	530.0929	530.0937	0.17679766	530.093	5971	5308	3835	4711	8763	5384	0	0	10007	9485	1610	0	23419	1385	2090	0	1298	11862	10040	6912	10935	23269	2148	3008	0	1568	0	0	0	0	0	0	3099	0	9329	0	1998	1356	2345	4588	4262	1536	0	0	0	11425	20277	0	1145	0	5902	5535	4837	0	19705	9793	3872	0	3077	1039	0	5058	20514	11542	3701	12919	2673	0	3239	1931	1885	0	0	0	0	0	0	0	6001	12820	2904	10598	1562	3688	15367	5447	5071	1095	3353	0	1982	2197	3308	24046	27651	0	4825	5251	8660	10908	13210	1336	0	0	10547	1074	8334	0	0	20966	Phytochemical	0.5416667	0.7916667	0.041666668
22	C24 H19 O13 N1	530.0929	530.0937	0.20273703	530.093	7499	8170	5780	6728	8214	6517	1417	1884	14726	13507	3361	2296	24764	0	2605	1770	0	16030	9917	13307	17948	32715	5361	0	1531	0	1600	2060	0	0	0	0	2905	0	17782	0	1738	2250	0	6012	10431	2645	0	0	0	11721	28854	0	0	1594	9931	7185	8145	0	19100	14268	3425	1907	1746	2320	0	9499	24777	15808	4741	11120	4601	0	1729	2063	3444	0	0	0	0	0	376	0	7800	14000	4551	18364	2764	3302	15747	8446	6545	4334	5761	3351	3244	0	4200	28635	30908	0	6411	9498	8274	14199	10641	2266	1403	1585	19579	2817	13650	0	2243	24997	Phytochemical	0.5416667	0.7916667	0.041666668
20	C24 H19 O13 N1	530.0929	530.09375	0.10581719	530.09296	11762	10107	7969	10561	13912	7986	1446	0	18847	23376	5981	1968	32666	5106	3514	2015	1331	15976	16629	13504	22533	27897	5945	2350	0	0	0	3124	0	0	0	0	2385	0	20823	0	0	1208	0	14316	12110	3360	0	0	0	19486	34168	678	0	1295	7640	4939	13384	0	20458	16743	4869	1711	1978	1380	3138	10035	31518	20928	8212	16941	4578	2222	3579	2856	3971	0	0	0	0	0	0	1226	7908	26576	5956	15814	2075	0	25197	10236	6713	4388	5475	2885	0	5459	3411	39261	33921	0	10873	7278	15452	15258	17733	2306	2236	2713	24217	2396	14743	0	0	30188	Phytochemical	0.5416667	0.7916667	0.041666668
26	C24 H19 O13 N1	530.0929	530.09375	0.1415862	530.093	4429	5719	5219	5865	7555	5001	0	0	10026	10548	3061	0	18552	3070	0	0	0	14282	4603	7166	11213	23002	0	0	0	0	0	0	0	0	0	0	0	0	14374	0	2039	0	0	3484	5013	0	0	0	0	8147	14344	0	0	0	6296	4150	4938	0	16483	10588	0	0	0	0	0	3963	21647	12205	0	11084	2227	0	0	3275	2959	0	0	0	0	0	0	0	3568	10584	5572	6936	0	0	8719	0	4321	3090	3079	0	1496	3021	0	20061	29119	0	7529	0	6343	10827	7138	0	0	0	0	2008	5450	0	0	19698	Phytochemical	0.5416667	0.7916667	0.041666668
16	C24 H19 O13 N1	530.0929	530.0938	0.14076585	530.093	8431	5523	4776	6837	9065	3513	0	0	12590	18679	8286	0	20803	2017	0	0	0	11391	12765	9180	24309	30018	2974	0	1349	0	0	0	0	0	0	0	0	0	26220	0	0	1641	1342	4575	13170	2982	0	0	0	8037	34384	0	2501	0	8563	10647	4845	0	14179	9982	5085	0	0	0	0	6997	32424	15974	4413	14451	3507	0	3027	2001	5320	0	0	0	0	0	0	0	4146	14965	2340	14841	0	3058	12747	6372	4385	3110	2976	0	0	0	0	43808	31248	0	6038	5287	12948	13386	17401	1722	1180	0	16405	0	14734	0	2162	27335	Phytochemical	0.5416667	0.7916667	0.041666668
14	C24 H19 O13 N1	530.0929	530.094	0.3742871	530.09314	4513	2600	0	3593	5220	2591	0	0	7303	6654	5278	0	15995	1652	0	0	0	4938	0	2677	12741	18702	1581	0	0	0	0	0	0	0	0	0	0	0	14919	0	0	1248	1729	4067	7763	0	0	0	0	9445	12367	0	0	0	1711	2116	4438	0	7486	8037	2520	0	0	0	0	6249	19580	9250	1433	10439	1449	0	0	0	3138	0	0	0	0	0	0	0	1557	0	1874	5717	0	0	6627	2976	2617	0	1740	0	0	0	0	25948	20146	0	5586	2441	6992	12014	11989	0	0	0	0	0	7740	0	0	12597	Phytochemical	0.5416667	0.7916667	0.041666668
12	C21 H23 O15 N1	530.1141	530.115	0.20804858	530.11414	6402	7759	7187	7746	18570	8260	0	1634	25208	5648	7213	5515	33974	4827	5182	2080	6983	29759	28130	8617	17338	22642	10109	3276	0	0	2436	0	3412	1909	1209	0	4844	1327	9016	3140	4125	4773	3511	2923	7004	10814	303	0	0	13314	80226	0	0	1582	9131	7476	11602	0	25706	34374	8866	1431	0	0	0	6350	44195	24057	8971	18627	8486	5462	0	0	0	1428	2660	1327	2858	1805	0	3725	4707	17968	6554	18217	1178	1158	36687	11417	3808	8511	7120	10253	0	0	8095	28494	11937	0	9527	9963	30044	26838	33955	6135	4228	0	49838	4297	25615	0	1539	34405	Phytochemical	0.71428573	1.0952381	0.04761905
14	C21 H23 O15 N1	530.1141	530.115	0.1787878	530.11414	12038	16517	12359	15645	30237	13327	0	2488	37597	5010	9050	6420	60994	8205	6814	4159	7415	34589	39576	11264	22530	29785	13180	0	0	0	2103	0	2339	1802	1969	0	7522	1717	6417	3590	3265	7174	3535	6280	13984	16448	0	0	0	32170	107844	0	2091	5313	6410	15563	19711	0	39213	41727	13357	2736	0	6167	0	12591	50790	33449	12807	28362	14114	5081	0	0	5457	3502	1769	0	5549	1643	0	5661	10266	35052	6244	36361	0	1971	43472	19357	5545	16932	15011	0	0	3654	6752	39776	15117	0	6421	20869	34987	39273	43707	9591	5927	5312	102271	5335	37396	0	1372	45241	Phytochemical	0.71428573	1.0952381	0.04761905
28	C21 H23 O15 N1	530.1141	530.11487	0.14565524	530.11414	10520	8844	10210	9790	13032	17414	1327	0	17488	6734	5402	4078	17052	0	0	0	0	25438	15200	15624	23156	20404	0	0	0	0	0	2392	0	0	0	0	3772	0	9938	0	2306	3896	0	12848	18966	0	0	0	0	54166	142268	0	0	0	8048	8508	9234	0	10918	7922	2762	2990	0	3722	0	19624	10656	8250	0	5610	5380	0	8474	4582	9326	0	0	0	0	0	0	4566	1374	15566	0	50630	0	0	14712	4932	0	4070	0	0	1698	3766	3726	15474	13472	0	7730	8866	16972	2510	4374	0	0	0	107790	3554	10496	0	1141	26934	Phytochemical	0.71428573	1.0952381	0.04761905
26	C21 H23 O15 N1	530.1141	530.11505	0.055670008	530.1141	2801	3717	0	4045	5114	10032	0	0	6345	0	0	0	8568	0	0	0	0	7653	5623	0	11438	5670	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3178	9471	0	0	0	0	22595	77115	0	0	0	0	2097	3247	0	5931	5621	0	0	0	0	0	11061	6534	6461	0	3092	0	0	0	0	3660	0	0	0	0	0	0	0	0	8488	0	26063	0	0	0	0	0	0	0	0	0	0	4904	5612	0	0	3764	6193	6141	0	0	0	0	0	48216	0	0	0	0	12863	Phytochemical	0.71428573	1.0952381	0.04761905
26	C25 H23 O12 N1	530.1293	530.1301	0.08735028	530.12933	4619	4447	5362	4665	3311	4109	0	0	7007	21837	3808	0	12664	0	0	0	0	14045	7711	11297	12829	14446	0	0	0	0	0	0	0	0	0	0	0	0	21789	0	2681	0	0	8483	7910	0	0	0	0	14422	11652	0	0	0	4001	5206	4281	0	7775	0	2857	0	0	0	0	6470	11969	5370	0	5613	0	0	0	5531	7021	0	0	0	0	0	0	0	3605	10995	3150	8030	0	2777	9639	0	2274	0	0	0	0	3504	0	14227	27461	0	4473	7906	5287	4573	8469	0	0	0	9733	1718	0	0	0	15426	Phytochemical	0.48	0.92	0.04
24	C25 H23 O12 N1	530.1293	530.13	0.16928282	530.1294	7797	5272	5743	6686	8388	5667	1914	0	12773	29861	6788	1106	15486	4686	0	0	0	11771	12419	14989	19885	22439	2285	1194	0	6816	0	5007	0	0	1262	1161	2274	0	32441	0	2318	3277	0	13899	10204	0	0	0	0	12841	23281	0	1051	0	6099	7263	5729	0	15754	9173	3971	1564	2213	0	1103	7443	18825	10231	2199	13717	2537	0	8284	11176	9028	0	1028	0	0	1056	0	0	5906	13403	3443	13210	2275	8404	11243	4770	3449	2003	4948	0	3149	5118	3566	26234	40354	0	5768	6136	8314	7409	5493	2791	0	0	16061	1013	9343	0	2830	21850	Phytochemical	0.48	0.92	0.04
10	C25 H23 O12 N1	530.1293	530.1303	0.15805942	530.1294	3854	2261	2702	2287	5601	2541	0	0	4536	15876	8247	1087	9891	0	881	1498	0	4542	4201	10500	7773	11549	987	0	0	2878	0	2811	0	0	0	1494	0	0	24159	0	2341	1011	0	4834	10901	1888	0	0	0	5159	12701	0	0	0	4684	3851	1897	0	4528	4289	1753	0	0	0	0	4150	13165	4828	1447	7066	1083	0	0	4134	9629	0	0	0	1224	0	0	1136	1925	7037	926	5023	0	3111	5922	2254	1600	1231	0	2969	0	1621	1693	12476	9109	0	3865	1934	4497	6576	5007	0	0	0	0	0	4024	0	0	10116	Phytochemical	0.48	0.92	0.04
20	C25 H23 O12 N1	530.1293	530.13007	0.18999764	530.1294	20077	21977	19565	21308	25395	14747	4572	3651	26811	67305	34938	4106	44190	10468	5273	8394	0	38147	30443	42311	48268	63407	12550	8253	8900	15188	4415	15072	2831	1865	0	1808	7253	2745	98613	2673	10541	5870	2446	34529	29885	7710	1083	0	0	54133	46111	538	3272	2148	17799	13915	15385	0	36528	25891	11335	10028	5398	3745	6467	24804	51352	24498	8504	32302	11079	3586	18162	24358	27070	3064	1850	0	4668	2004	0	2328	10983	47810	8203	37967	3218	28845	27039	18694	9999	9357	9059	5217	8030	14376	12130	63871	80549	0	16700	25621	17553	21575	28397	5911	3915	9319	35588	5617	22840	0	5077	39452	Phytochemical	0.48	0.92	0.04
22	C25 H23 O12 N1	530.1293	530.1301	0.12688684	530.1294	12428	13877	12656	12163	14976	11534	2106	3913	20353	49304	18542	3180	28558	7053	3470	4670	1752	20596	25350	32910	34908	39103	4170	2344	5379	11298	1926	6896	1852	3380	2194	0	2421	2306	52415	1481	3257	4142	0	19783	15990	5690	0	0	0	36301	43427	0	3300	1868	7632	11611	10170	0	20819	21248	5888	0	3856	1696	4913	18791	35499	22557	5128	14811	8475	2484	12774	18324	15796	0	0	0	1859	0	370	2799	9376	26870	6811	23167	4267	14453	20883	11849	8460	4789	4161	4019	0	10310	5489	39078	63645	0	10135	10859	16349	16942	15694	5524	1822	4096	25367	2899	16259	0	2915	30943	Phytochemical	0.48	0.92	0.04
12	C25 H23 O12 N1	530.1293	530.1301	0.11174991	530.12933	5048	7600	7839	5002	9372	3633	0	0	15452	27686	12168	2083	17337	3240	1703	0	0	8635	9268	18617	22613	21201	2792	0	1897	8225	0	0	0	1273	1625	0	3066	0	59214	0	1733	1652	0	8273	16646	0	0	0	0	10534	30431	0	0	2335	5076	6607	4933	0	12826	9398	3671	5130	0	0	0	11828	18366	9643	1944	8111	4599	0	0	9377	17592	1378	0	0	0	1198	0	1421	5497	0	3852	13026	2407	4728	10517	4557	4858	3165	3005	6693	5384	4339	2318	23864	19082	0	7463	7733	7877	11441	9824	2938	1350	3187	0	2691	3575	0	1201	18524	Phytochemical	0.48	0.92	0.04
14	C25 H23 O12 N1	530.1293	530.1302	0.23358792	530.12946	9041	12055	13786	13028	17795	6292	0	2105	15789	62361	29728	4232	31268	10622	3567	5209	5118	14548	12694	34497	41870	58214	5671	0	2640	15177	2211	13760	2739	1997	1742	0	4600	1479	85882	1988	4479	3571	4540	28672	39134	4541	0	0	0	27651	37474	0	2540	0	14672	12017	7028	0	20974	15077	6755	3025	0	6533	0	17319	32308	17833	5714	15868	4218	2476	27830	21547	32691	2909	2280	0	0	3287	0	1586	7175	18562	5900	21718	1972	15313	14843	7544	8621	5424	5803	8021	6679	9553	5778	38884	46740	0	7465	9868	11158	19361	16181	0	1590	8884	29906	3227	9525	0	3722	23751	Phytochemical	0.48	0.92	0.04
18	C25 H23 O12 N1	530.1293	530.1301	0.22406042	530.1294	25631	25002	25825	20528	21709	24293	8226	5205	34790	96373	50801	7124	51421	14294	10937	7760	1989	39804	26647	78547	80973	85102	12535	17859	6350	26965	2762	22618	0	4474	4518	4646	8028	6239	125981	4904	8671	6975	5447	47519	45684	7432	1126	0	0	59143	53341	0	7638	4336	22412	26859	17828	0	44353	35132	10602	11627	8106	7403	6704	45333	62501	34365	13182	31177	16223	6567	28837	35516	38652	4884	1276	0	3839	0	0	1709	16817	55023	15644	48401	4156	25082	38395	19935	13284	11311	12630	6610	20329	31117	16842	70992	99850	0	32524	25535	29492	32568	28636	9447	3729	13924	36895	11838	20277	0	10066	42973	Phytochemical	0.48	0.92	0.04
10	C22 H27 O14 N1	530.15045	530.15137	0.24380778	530.1506	21818	18584	17574	19662	20597	14214	11036	15786	24135	29727	19005	16574	47899	6609	16213	18416	19564	32745	38414	29432	35626	40976	22803	20314	3070	4469	11604	6451	11722	15390	13632	10198	18261	12692	36096	14509	13915	13644	20308	18224	28658	17654	665	0	0	56909	104995	0	14980	18521	20546	20420	15765	0	34204	26925	14254	13849	13712	17109	18172	17398	36510	26564	15244	26938	15282	21221	14542	6626	13464	13886	13635	11955	19113	10944	0	9886	17804	24869	15371	35500	8359	7727	35704	18433	14715	13201	14327	15837	6171	10533	22931	35625	45870	0	22638	25975	25840	23477	30524	18866	13360	21274	66677	13614	26612	0	8073	34333	Phytochemical	0.6363636	1.2272727	0.045454547
26	C22 H27 O14 N1	530.15045	530.1512	0.13627744	530.1505	8847	7123	8444	7427	5430	8287	0	0	7639	13179	5281	0	4539	0	0	0	0	11576	5372	21768	24194	7924	0	0	0	0	0	0	0	0	2886	0	3550	2577	12661	0	3407	0	0	11941	9294	0	0	0	0	67622	89958	0	4182	0	9225	7159	5121	0	4933	0	0	2975	2833	0	0	16584	4998	4990	0	2440	2754	0	8466	10319	10670	3737	2711	0	0	0	0	0	1998	7002	2596	45898	0	5551	5949	0	0	3323	2669	0	1651	4096	0	7769	11441	0	7188	7306	10328	0	0	0	0	0	61370	0	7796	0	0	9575	Phytochemical	0.6363636	1.2272727	0.045454547
18	C22 H27 O14 N1	530.15045	530.15125	0.13952865	530.1505	111458	122635	99384	106745	131024	122824	39803	102789	142743	105866	86165	59002	277912	65287	86651	69904	55491	225395	199978	204413	245167	217888	109006	86093	64517	51842	36215	29472	92704	65495	85675	61962	73862	45808	144796	73148	85614	54262	39907	150200	118698	80486	4686	0	572	644094	794251	0	64261	79285	91434	114544	98345	0	253962	132314	59671	60623	91516	43316	63155	171366	173504	138520	55911	108454	85895	39396	100244	68220	113427	73518	76505	81310	62254	60492	1034	78474	73013	174823	66348	513607	39398	57336	154666	98222	39528	61959	89611	29666	36753	56088	112022	182453	170577	956	115082	146632	137454	69932	105723	94336	55935	83951	657586	72637	136898	642	38894	211483	Phytochemical	0.6363636	1.2272727	0.045454547
28	C22 H27 O14 N1	530.15045	530.1512	0.1269202	530.1505	8300	7450	7705	6464	8064	6794	1606	3035	5327	15120	4970	2953	5520	0	0	3067	3103	11174	8403	22369	27013	9728	3368	3980	0	0	1488	0	2792	3488	3371	2497	2403	3582	16708	3066	3323	1897	1656	11138	11302	0	0	0	0	57872	74057	0	2767	3882	7539	7461	5755	0	5944	4714	2182	2544	3787	0	0	14307	4593	3960	1460	5030	3322	1626	9965	12298	10954	3807	2830	4867	3443	3532	0	2663	2234	8926	1571	35657	2172	5536	4995	3464	3075	2073	3136	2290	0	3174	3749	9004	9945	0	8179	7863	5582	2253	2278	2247	0	3008	57440	3183	4979	0	1122	9699	Phytochemical	0.6363636	1.2272727	0.045454547
12	C22 H27 O14 N1	530.15045	530.1513	0.15937649	530.1505	36679	34543	36000	43734	38855	31111	17473	45862	61480	44715	34658	30180	90929	15939	35527	29996	40362	79254	78335	83316	87928	73737	49332	40684	12584	12381	14614	12071	35675	27832	32083	20662	37558	25056	64322	34798	29931	27663	33184	47078	80599	31779	1222	0	0	154408	288728	0	24008	33821	34547	40773	32497	0	93966	50857	27832	28337	32946	36705	48241	60446	91786	52758	23071	50456	32824	31024	34427	21193	25843	29087	23516	27801	26151	23862	0	27319	34243	89224	31953	107253	15765	19865	70422	31622	31114	21607	27243	28973	7408	27969	37669	75644	65973	0	40137	63993	60683	36342	52636	47212	27601	29780	233314	30224	53268	0	17054	76209	Phytochemical	0.6363636	1.2272727	0.045454547
8	C22 H27 O14 N1	530.15045	530.15155	0.35988057	530.15063	17927	40779	27414	24175	19432	14653	17637	16415	40881	54975	40536	25290	45517	2055	17930	37184	29770	43471	38713	49275	63740	71744	32612	31546	10063	17949	10015	10747	28866	22540	23062	27174	28428	24530	103630	9805	22547	21700	40684	20813	40812	23430	0	0	0	32190	68193	0	12876	32663	27652	48279	22098	0	37458	34007	14227	18194	4688	29070	11505	15219	60736	45351	4835	33659	10419	31488	0	19926	36238	19621	18533	11151	22405	13963	0	14567	34607	6338	17696	28533	13300	10372	31747	4585	23943	25516	22799	48733	0	0	72471	42019	48728	0	24951	34047	31398	40175	37395	25244	11666	23003	13133	36731	22434	0	20129	52131	Phytochemical	0.6363636	1.2272727	0.045454547
14	C26 H27 O11 N1	530.1657	530.16656	0.16753152	530.1658	20364	19779	15532	18523	16531	9429	7540	11704	15249	88432	41701	4362	19726	5787	6479	10075	0	17907	13932	53060	63144	64863	7517	11456	9271	38634	5472	32677	7644	8757	6443	0	10267	7205	103401	5513	8141	5877	7441	44354	35210	7465	0	0	0	35929	46543	0	7409	5334	20173	17805	8795	0	20701	12522	8419	12069	6664	7836	0	25636	29673	14375	5715	20947	9577	5891	35808	54598	44089	7918	6129	4840	7582	6394	0	6539	11531	32109	7779	21397	9495	23505	15522	6577	12840	7657	4874	21099	14102	10196	17133	30894	49688	0	18523	20847	12589	18511	13268	5045	6170	13927	22553	8494	11515	0	9825	15653	Phytochemical	0.42307693	1.0384616	0.038461536
26	C26 H27 O11 N1	530.1657	530.16644	0.11377521	530.1658	4048	4071	3638	5963	6674	2729	0	0	6479	23669	7570	0	11552	0	0	0	0	9503	7419	10839	14807	12024	0	0	0	7602	0	4482	0	0	0	0	0	0	20240	0	2363	0	0	9586	7369	0	0	0	0	10505	16633	0	0	0	4080	3945	0	0	5773	0	0	0	0	0	0	5192	11050	5521	0	6773	0	0	8216	18758	18590	0	0	0	0	0	0	0	0	7299	2548	11160	0	3433	6792	0	5860	0	0	0	2784	2394	0	11511	17054	0	3734	0	4405	4240	0	0	0	0	9014	0	0	0	0	12565	Phytochemical	0.42307693	1.0384616	0.038461536
12	C26 H27 O11 N1	530.1657	530.16656	0.20422097	530.1658	6399	11134	14122	7239	8205	5960	6087	4117	10842	41335	20274	3245	14772	5124	2287	2990	0	8904	12482	37448	37813	10272	6615	7380	2032	20726	3381	18868	2485	1222	1651	4935	6164	3229	62752	2803	6822	2667	4003	27238	23538	3129	0	0	0	19442	17324	0	2194	4314	11272	7641	5845	0	10994	7605	3189	7007	0	0	0	15121	14724	9570	4453	8641	6061	0	21167	30831	34439	2992	3127	3541	2854	3640	0	3330	5582	17080	4529	13013	2728	14547	8984	4312	9744	3595	4262	13209	9731	9050	9243	24647	19637	0	8781	10609	8242	8100	8776	6117	0	3898	0	3488	7404	0	4483	15591	Phytochemical	0.42307693	1.0384616	0.038461536
24	C26 H27 O11 N1	530.1657	530.1664	0.16121969	530.1658	10549	9458	5378	9163	13735	9872	1319	2198	13557	44659	11699	2353	17690	5485	3469	5065	1487	11971	14171	21824	26926	23673	3877	2846	3515	19693	2393	10721	1977	0	0	1878	3883	3966	47731	1562	1271	1593	1553	16275	14216	3225	0	0	0	24992	28659	0	3618	0	11940	9079	7138	0	13334	8809	5325	4781	3756	2053	5132	13514	18117	9458	4912	13091	4074	2101	18564	28148	30876	2348	928	0	0	0	0	2346	6199	14138	5800	14616	1529	9845	9314	6825	4043	3084	3064	2104	6331	4538	5564	20088	34443	0	5258	9697	9219	9216	9833	0	1280	2886	16795	0	8785	0	2030	20774	Phytochemical	0.42307693	1.0384616	0.038461536
22	C26 H27 O11 N1	530.1657	530.16644	0.1236028	530.1658	21334	21078	19028	24041	23805	18571	5775	5963	26008	84452	34343	3843	31529	11905	5715	7317	4821	31003	22288	61305	62177	40526	10917	9714	7518	37731	3683	24427	6332	1924	2555	5217	8923	4414	99143	2981	8616	5414	0	43241	29023	10323	0	0	0	49923	36890	0	3470	5058	17294	21397	17507	0	27239	24289	9625	4545	6573	4864	6415	33272	42483	20883	8259	25105	12978	3646	39500	61867	49451	4902	2648	2371	2598	2325	0	3266	13646	28314	10079	27816	10063	26732	21939	17732	11689	7799	9397	4000	14314	16849	12590	34927	62767	0	18858	23161	20875	21814	20895	9688	4221	6405	35471	6185	19151	0	9317	41790	Phytochemical	0.42307693	1.0384616	0.038461536
10	C26 H27 O11 N1	530.1657	530.1666	0.21757229	530.16583	8416	8509	6610	6746	3891	3750	2900	3075	6136	31033	13540	2809	9238	2135	2780	3274	2844	4492	4545	23345	19684	12409	5054	2128	1395	11638	0	6886	0	1645	1470	0	0	2516	40430	3787	1688	2284	2513	15804	13312	2218	0	0	0	11612	11660	0	1378	1506	6729	6407	3192	0	7424	2850	2747	2369	0	2946	0	6921	7432	5373	1487	6807	0	3692	12882	11419	19951	2944	1054	1229	2207	3231	0	1360	5470	7641	3708	4845	2714	6043	5981	1559	4804	1779	2058	4234	3662	4304	3113	12592	20287	0	6602	4629	4350	5968	7508	3554	1233	2704	0	2647	3323	0	3231	8041	Phytochemical	0.42307693	1.0384616	0.038461536
20	C26 H27 O11 N1	530.1657	530.16644	0.11871932	530.1658	31514	25788	33224	31109	35469	22695	8635	9884	39512	142622	61700	9958	54547	23005	11372	13294	4283	43387	39900	98730	98162	62787	15876	16511	13745	63645	6445	52433	10322	9194	9693	6641	14717	9290	154054	7078	21236	8130	7342	73023	44161	13440	1276	0	0	74212	58953	0	8482	5866	36174	34215	20162	0	43181	35898	17990	14996	17732	8965	11941	49487	67546	34394	12491	38606	18951	8787	50671	87688	79322	7591	9774	3927	4579	4012	0	7094	19618	50284	12681	42443	12830	53384	37299	23926	18375	15233	13788	13221	26866	32557	30579	57687	86743	0	33396	33830	32032	32510	34437	14592	7601	19428	50845	14643	25938	0	10842	56840	Phytochemical	0.42307693	1.0384616	0.038461536
16	C23 H31 O13 N1	530.1868	530.1876	0.12542853	530.1869	149659	139045	146780	153939	118217	117807	87551	196871	172577	250299	107889	88455	217185	58266	178252	121509	84940	224511	240043	357993	321813	208399	181712	163174	131087	106062	61005	81283	193366	154792	157134	156900	161413	122821	309812	185355	165013	113240	74646	216655	110927	106951	3798	702	516	532951	424706	0	130987	165112	162955	158582	112915	865	251301	113654	76499	129221	191591	61410	207475	167858	164839	163013	65362	139576	107679	64043	128079	166371	108960	158104	146954	194600	92574	120768	0	115674	103905	136620	95681	319217	101740	134425	136171	108007	70195	64612	93035	63744	88158	156235	221638	125452	220343	1257	166748	206504	122902	75184	89172	182988	102413	170913	412618	128282	129455	512	85143	172971	Lipid	0.5652174	1.3478261	0.04347826
10	C23 H31 O13 N1	530.1868	530.18774	0.18834263	530.1869	28980	80290	83851	18928	80616	38779	55610	102203	68742	142134	62162	18153	25697	36409	70090	91448	91067	21920	88637	124934	137675	31683	82648	30235	58136	44805	14469	39318	84113	66956	66985	23239	94754	65537	181648	71703	81294	60744	91651	32474	134409	51674	0	0	0	132385	173231	0	20724	27180	105176	22853	10079	0	91380	17160	41856	81293	59488	62926	89858	76590	84683	79582	26052	75328	55270	99115	62861	68464	93024	68319	65098	64039	55199	67559	0	53820	95686	76256	69146	76997	56628	59661	23651	43178	93219	50187	45392	125712	49818	75434	149633	95619	31217	0	119504	117517	48221	11740	86477	86593	48748	114801	44460	94669	61974	0	71635	97458	Lipid	0.5652174	1.3478261	0.04347826
26	C23 H31 O13 N1	530.1868	530.18756	0.16813521	530.1869	5890	7310	8478	5539	4627	5420	0	0	5134	17444	4341	0	7615	0	0	0	0	8433	4876	24575	23284	7819	0	0	0	0	0	0	0	0	4249	4609	3862	4370	12379	0	3360	3549	0	11534	6906	0	0	0	0	35334	27861	0	4966	0	5087	4858	3909	0	7524	0	0	0	3874	0	0	8875	3114	3366	0	4737	0	0	0	12179	9617	5040	4935	0	0	2650	0	3712	0	8338	2734	20081	3584	5733	0	0	0	0	0	0	4305	3412	4663	6066	10388	0	5962	6181	3150	0	0	0	0	0	25611	4395	5251	0	0	6826	Lipid	0.5652174	1.3478261	0.04347826
28	C23 H31 O13 N1	530.1868	530.1876	0.22813219	530.18695	5169	4366	3180	3910	1039	2989	946	3901	2985	13308	2993	1224	6127	1578	0	1879	0	3661	3935	19367	17669	4439	3239	3500	0	3726	1004	2430	4178	2571	3563	2129	3514	3004	12517	3056	3099	1675	1236	7569	4527	0	0	0	0	24326	20023	0	2968	3922	3236	3775	2351	0	3056	0	1164	2421	2742	1620	3334	6711	4879	2196	0	1905	2257	0	4471	11910	6887	4644	3108	3207	2311	2021	0	1360	1890	4014	1469	12702	1613	7055	2212	2032	0	895	0	1094	3172	3534	2608	2178	4234	0	3349	4622	2919	1465	0	2445	1401	3838	16438	1923	2882	0	946	3866	Lipid	0.5652174	1.3478261	0.04347826
18	C23 H31 O13 N1	530.1868	530.1876	0.110243715	530.1869	158353	132205	147055	141024	121708	116100	61440	177430	144525	228347	88417	67338	225272	61553	159008	117141	58841	238151	242499	332212	261338	186664	145016	148025	116749	88866	59604	59764	171973	131777	130927	125028	148950	112559	244060	149928	135619	92869	52456	204519	96991	85962	5500	449	342	571470	330116	0	131028	129959	135474	153011	100213	747	257705	120017	61313	109535	151689	49416	127517	164752	168339	148003	60858	124395	96024	52111	102434	169461	105933	134478	116001	158215	82101	123463	456	105992	98830	110204	86871	328152	77303	108230	128614	100260	84271	65244	77455	39205	84071	116725	153650	101791	183373	1325	136338	161668	120702	74123	75844	134510	84061	159686	349869	101524	121240	633	68062	170217	Lipid	0.5652174	1.3478261	0.04347826
12	C27 H31 O10 N1	530.2021	530.20294	0.15512143	530.20215	8796	10355	10314	9382	8256	5069	8163	7763	7477	32932	17887	3151	7975	4248	4582	8927	6408	7143	8279	34889	29039	18555	4875	7656	5020	22943	4751	12128	6807	6102	7287	4843	7384	4803	50795	7823	5328	6001	7499	26713	19798	4896	0	0	0	12288	15884	0	7599	4747	8675	12401	5164	0	8142	3058	3446	6764	0	0	0	15099	10330	4922	2828	5733	5893	8442	23819	31524	29512	5243	3245	3746	4120	5177	0	5296	6448	0	4325	8542	4910	13647	4704	3723	10545	2887	4823	15731	7630	10903	11037	18754	15062	0	9629	7602	3154	4964	6073	5773	2795	8721	0	5813	5526	0	7238	7290	Phytochemical	0.37037036	1.1481482	0.037037037
10	C27 H31 O10 N1	530.2021	530.203	0.14284049	530.20215	8424	6846	7891	7591	5126	4241	2090	4925	5223	22598	11731	3564	4457	3220	1053	4516	3386	4699	5685	18043	22307	13651	3706	6916	4247	13873	2819	8582	4221	2811	3226	2219	4062	3634	26648	3743	3880	2576	2233	15501	13369	3420	0	0	0	11071	9957	0	4094	3096	4634	6176	2293	0	4557	3407	1998	3561	2890	2181	0	8860	4411	4563	1361	4327	3457	4631	11950	24366	18073	4180	3824	2928	1501	4501	0	1915	5132	4913	3493	3213	2525	9025	3268	1876	3467	3256	1267	5559	5762	6724	7758	9755	14449	0	6465	8914	3317	3136	3498	2984	1912	5403	0	4249	3879	0	3884	4988	Phytochemical	0.37037036	1.1481482	0.037037037
14	C27 H31 O10 N1	530.2021	530.20294	0.14369126	530.20215	18933	16885	16951	23604	10651	9069	9544	18079	14530	59307	28163	10062	18065	6872	12317	19594	11691	12697	12458	53655	62974	30978	11980	16332	12330	33899	8568	23352	10146	11892	9938	14668	18826	8860	79668	13522	17523	10968	13976	43666	38230	7430	0	0	0	25941	26048	0	12366	11197	22025	17400	10441	0	11691	9774	5506	22240	9554	23754	28869	24408	14966	10769	5223	10434	9770	13331	40800	56716	44764	14127	8740	11074	10706	10338	0	9164	16475	24555	10164	14262	12416	25497	11703	6319	16049	7969	7016	28263	14551	13172	23879	19387	33774	0	15805	14650	9975	9143	9178	13216	7787	22492	0	16224	9405	0	9816	11283	Phytochemical	0.37037036	1.1481482	0.037037037
24	C27 H31 O10 N1	530.2021	530.20276	0.08723767	530.20215	22141	15818	18138	15313	19678	13109	2425	10524	19874	64227	27216	5061	28516	10885	4784	11065	5245	17975	31095	48827	53006	20237	10118	10363	8648	50888	3119	27716	7037	7791	7586	8824	12077	5736	63196	7670	13286	5050	7361	36639	28805	5204	0	0	0	29088	31297	0	7553	5762	21439	15979	11664	0	20936	11564	7430	11228	6418	4868	10786	24445	18475	21747	8071	17409	13830	3068	49580	77359	52793	8229	8106	4022	4725	5914	0	5765	11840	13000	8889	20504	7635	26077	22779	11432	12205	8544	9305	9423	10059	14417	18054	21333	31737	0	19971	17199	16772	16993	16106	11736	5411	13766	22072	7132	13286	0	5600	23776	Phytochemical	0.37037036	1.1481482	0.037037037
26	C27 H31 O10 N1	530.2021	530.2027	0.050846826	530.2021	9591	8212	6801	6276	8249	4434	0	0	7769	24067	10849	3326	13634	4898	0	0	0	9073	5763	21274	23876	9983	0	0	0	20451	0	7517	0	0	0	0	0	3529	27088	0	4374	2794	3371	15418	13822	0	0	0	0	10924	18236	0	0	0	9938	7021	4690	0	8167	8111	4011	2494	0	0	5973	5697	9495	6958	0	9678	5371	3041	20679	33925	32895	2708	0	0	0	2828	0	0	4385	0	4703	6693	0	8357	10028	0	3767	4997	3163	4060	3246	4851	5746	7155	13596	0	6188	7975	3849	5167	0	0	0	0	0	2316	0	0	0	13190	Phytochemical	0.37037036	1.1481482	0.037037037
8	C26 H31 O9 N3	530.2133	530.2143	0.19763067	530.21344	10916	12270	9462	8667	4025	5830	5347	9472	4694	11508	5184	6341	6092	2532	9729	14233	10069	4526	5999	15619	14393	18472	9821	20048	11048	4809	7264	5300	8161	8320	11695	10868	13351	9677	16439	10470	11699	8282	8659	15962	12456	5446	0	0	0	15551	11646	0	13210	6830	15170	10714	5619	0	7460	3205	4248	12307	6705	6795	8367	12444	4678	4474	2384	6432	5684	11826	3113	9521	5063	13177	7967	9439	7505	8585	0	6379	11454	6680	7708	7228	8483	9405	3392	0	9828	5409	5813	19471	13421	15298	25906	7994	15257	0	15583	13610	4463	2989	4954	11110	5921	14114	8413	14110	2269	0	9976	5028	Phytochemical	0.34615386	1.1923077	0.115384616
10	C24 H35 O12 N1	530.2232	530.2241	0.22577909	530.2233	29723	13121	29869	32954	15517	4330	32088	18283	13572	34267	17706	23339	21179	8271	27509	35484	20855	23706	24795	41640	40164	47205	31709	52523	28056	16746	28180	16927	38651	16988	30551	34482	47027	29143	42553	36150	44284	22931	24241	37884	13690	19211	0	0	0	38716	29584	0	38252	33874	30118	33100	16845	0	23145	14044	14159	16253	21374	16145	39301	22899	16878	13101	10490	16126	20020	31695	7328	25369	13915	32824	29081	16340	20084	10619	0	24942	35735	15132	27146	7958	29318	19055	15684	15009	6793	18652	17595	39278	33444	40966	61854	19488	28260	0	31764	33847	13294	14862	17517	44926	22474	43642	0	29797	14495	0	32427	15842	Lipid	0.5	1.4583334	0.041666668
20	C24 H35 O12 N1	530.2232	530.22394	0.061279513	530.2232	148395	128743	128963	132029	104262	124100	70369	193961	158840	265842	81963	71138	211820	61779	174435	116609	41157	196219	215401	286797	223230	165733	150514	170008	159976	71768	52291	63346	189316	150343	154625	137704	156957	141710	285318	158950	167346	109595	42697	178640	50846	91790	3393	0	0	303999	121373	0	132814	143283	123873	135397	93274	679	256787	106412	58712	121377	184116	35698	132398	109405	169344	146308	58842	123968	91590	44090	67941	179967	71105	153423	144002	178270	68762	121629	0	122700	95072	56946	90658	119419	96141	95334	105628	85322	80934	55184	88151	36663	109299	160178	195726	64376	117353	500	141270	159039	88629	63994	70922	144104	85055	173976	151818	112845	93360	0	82622	201691	Lipid	0.5	1.4583334	0.041666668
12	C24 H35 O12 N1	530.2232	530.22406	0.137669	530.22327	17493	19277	20760	22986	10690	10404	24851	55798	15666	23417	14653	22061	22317	5420	32027	28515	26258	25080	25360	42673	41247	28473	30478	39335	22520	17468	12046	11291	39883	33444	30594	23835	33935	22459	45156	34117	26385	22218	24287	27755	13346	16048	367	0	0	43732	33754	0	23031	37681	25458	19766	14498	0	32440	15906	11174	25181	33872	23569	21157	18647	18372	16599	9293	20249	16743	24346	0	22234	21413	25156	24286	40941	22260	23937	0	25210	27611	18079	21430	23319	23404	18687	19629	17239	19359	12817	10998	25519	19706	22865	35115	14421	18374	0	16496	31460	14270	14104	13070	24755	20277	42454	46061	25319	16030	0	22448	22694	Lipid	0.5	1.4583334	0.041666668
8	C24 H35 O12 N1	530.2232	530.2243	0.44361764	530.22345	6786	7053	6976	5585	2434	3489	5124	10261	3364	6921	3519	3591	4539	1080	5976	6050	4939	3845	5194	8185	6390	9124	5832	8845	5291	1765	5764	2175	8847	9423	5551	8363	8189	3665	10692	7779	8095	5057	6384	7829	4649	3335	0	0	0	5767	4896	0	8160	7044	7705	5780	2424	0	5676	3371	1772	5403	3945	3749	5748	3482	4572	4759	0	4161	2187	4392	0	2701	2624	6692	5840	6166	3481	6891	0	6593	7675	7515	4099	2877	4549	4788	2588	0	4180	3243	3725	5207	38465	20493	12835	4173	6414	0	4147	7257	2368	2850	2264	7500	3524	10110	0	3962	3242	0	4295	5607	Lipid	0.5	1.4583334	0.041666668
26	C28 H35 O9 N1	530.23846	530.2392	0.08146613	530.2385	15051	12566	15797	12184	13315	7059	1515	7561	11903	28047	23948	3645	21057	10098	6666	8578	6705	14969	20665	31207	33478	11433	10109	12938	0	47819	2961	19256	7680	7707	9416	8327	9980	9974	30166	12000	9566	5289	7222	25546	20787	7465	0	0	0	14350	9870	0	10003	7090	11149	12136	10239	0	14433	16030	4021	11197	5762	5376	8644	13341	14169	7607	3779	12733	10864	6183	51633	52679	63681	8998	8232	0	0	6881	0	5530	9474	6718	6536	6915	5984	16095	15694	0	10389	9286	6304	9680	9351	8437	13759	7891	12464	0	15746	12323	8082	12900	15448	7057	4483	8085	9351	8983	7304	0	5555	17122	Phytochemical	0.32142857	1.25	0.035714287
24	C28 H35 O9 N1	530.23846	530.23914	0.08237973	530.2385	36896	36810	31794	35722	41205	24846	12978	28147	30103	86586	53454	14764	44542	21750	19653	28695	12780	41390	51667	89215	88508	35687	29569	32653	18887	110605	7363	53950	24213	20862	20005	25382	29520	27745	106416	21983	32151	18367	15685	69621	48024	21404	0	0	0	46202	35985	0	23396	20691	35188	33846	28609	0	35747	28769	13872	31123	20598	12944	31652	43562	35279	28522	13509	40696	28546	15292	95069	134935	123412	27724	25515	17291	13707	19267	0	16785	26258	24423	22558	23309	15803	44557	45014	24952	28772	18800	22380	25257	30904	31020	43498	25471	42207	0	36220	34205	24100	35818	34935	30285	13455	37974	24909	31619	31182	0	21731	33240	Phytochemical	0.32142857	1.25	0.035714287
20	C28 H35 O9 N1	530.23846	530.2392	0.0335395	530.23846	300691	316263	274236	253255	255097	165053	161113	289679	233227	433427	351066	165278	252538	166507	216423	331201	198785	213175	347968	601836	543349	318034	239304	325863	230277	1119336	172262	317918	277080	234072	204344	232443	261748	219119	557697	230062	284339	148006	211639	416832	373705	198171	5966	0	0	267840	249812	0	248697	216489	266943	279892	197196	0	280958	209380	159822	330637	218416	170574	306368	258819	258299	190216	128674	238125	208804	231743	726309	788059	769862	217212	224463	229110	244926	208761	0	189314	312855	214406	204389	164801	217988	341184	263531	172379	283897	178806	184154	301329	370633	307616	451376	192394	269142	0	272471	292041	214155	213849	203563	294878	160444	320777	181669	250614	194090	0	200553	262467	Phytochemical	0.32142857	1.25	0.035714287
14	C28 H35 O9 N1	530.23846	530.2393	0.1440795	530.2385	10484	10839	11782	8923	5171	5436	7428	6417	4960	26511	16197	7120	6036	3277	6408	11340	11686	5868	5997	35156	29657	26894	6083	10968	7917	20492	6927	12514	9493	7996	7758	0	10394	5470	29549	7822	9741	8412	11772	21009	20779	5825	0	0	0	7588	8336	0	10965	9272	11298	9841	5324	0	4791	3521	3006	10427	0	6352	24166	6187	5740	4306	3743	4221	9685	13137	0	37802	22696	9764	7313	6674	7954	9274	0	6137	14211	0	6668	4003	4962	9650	4001	5679	8374	2790	5693	19917	15197	10110	16312	6877	18731	0	15978	9928	2018	3758	2318	10127	5738	11981	0	11299	2389	0	9509	3254	Phytochemical	0.32142857	1.25	0.035714287
22	C28 H35 O9 N1	530.23846	530.23914	0.07295588	530.2385	335290	308569	315217	318628	300118	195045	137415	289194	327937	633923	703884	155438	312721	202529	227225	316842	185735	326751	357227	712357	933042	315525	257981	316358	254642	813354	137917	446609	279621	220950	230203	276736	282285	233379	697566	270057	319517	197901	185676	471776	357385	214769	0	0	0	330474	264725	0	263593	223935	300720	315703	265131	690	349138	284854	160317	280182	215149	152501	293495	323590	351136	268296	134723	298972	220911	211107	653934	1069114	1385027	228642	218794	213863	142863	220090	0	178911	328889	209464	252529	213253	187572	332594	344729	184647	286982	214243	209507	269106	318293	371080	402516	223764	333132	0	299822	314236	251430	268802	245587	317884	174086	327789	197781	270431	263325	0	213267	367772	Phytochemical	0.32142857	1.25	0.035714287
28	C28 H35 O9 N1	530.23846	530.2391	0.055050414	530.23846	3213	3379	3769	3549	4964	2331	1390	0	3418	9657	5828	1009	7998	1925	0	3885	2654	3581	5212	6531	7507	1514	2263	4728	0	17694	1469	6760	0	0	2120	2682	3691	2010	9526	2599	3570	1948	2302	5483	5434	0	0	0	0	3121	3293	0	1999	0	4331	3675	3336	0	5708	2561	0	3324	0	2072	4451	3453	3204	1620	1560	5288	2018	1882	14322	21240	28466	1902	1481	0	0	1020	0	1552	4359	3895	2160	1368	2058	4830	4776	2119	3624	2355	1555	4977	3122	3978	5448	3235	4889	0	3319	0	2569	3104	5838	0	1420	0	0	2385	2999	0	0	4158	Phytochemical	0.32142857	1.25	0.035714287
8	C22 H35 O10 N5	530.24567	530.2467	0.3535261	530.24585	2416	3120	2502	3174	0	0	0	0	0	1347	2960	0	0	0	0	0	0	0	0	0	0	1908	0	0	1125	0	0	28164	0	0	0	0	1025	0	0	1556	910	0	907	0	0	0	0	0	0	0	0	0	0	832	2075	1981	0	0	829	0	0	1148	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1661	0	877	0	915	839	79951	0	0	0	0	0	0	0	0	0	1095	243258	91611	1776	12825	3207	0	2616	1836	0	0	0	1148	0	0	0	0	0	0	716	0	Peptide	0.45454547	1.5909091	0.22727273
6	C22 H35 O10 N5	530.24567	530.24677	0.33616453	530.24585	2985	3113	4459	3559	0	1904	965	1395	0	2529	8105	572	0	433	0	0	0	956	0	0	0	973	881	1175	0	0	0	54383	0	0	698	1106	1527	1034	889	0	1270	882	1007	0	0	0	0	0	0	0	0	0	1386	625	2634	3855	0	0	0	0	0	1481	0	0	1214	0	0	0	0	0	0	0	0	0	0	726	0	1515	0	0	0	0	485	140581	0	0	0	0	0	0	0	0	0	0	266762	93576	2089	24619	4110	0	4667	3433	0	0	0	1995	0	0	0	947	0	0	625	636	Peptide	0.45454547	1.5909091	0.22727273
2	C22 H35 O10 N5	530.24567	530.2461	0.253471	530.2458	1740	0	0	952	0	0	0	1334	602	0	0	933	1056	0	790	0	1076	0	821	0	0	970	651	1437	276	0	0	4695	2133	1140	1213	2516	1779	1488	348	1403	1921	1051	2056	0	0	0	0	0	0	310	0	0	2697	1001	688	996	0	0	782	0	0	984	0	0	316	0	416	573	0	1033	584	2055	0	0	0	1536	2823	1860	0	960	0	743	1116	31612	563	0	0	0	0	0	1162	474	0	2253	10193	3423	1402	2876	0	0	0	783	0	0	429	1381	1145	0	0	1184	486	0	507	983	Peptide	0.45454547	1.5909091	0.22727273
10	C22 H35 O10 N5	530.24567	530.2463	0.3437476	530.24585	0	0	0	1707	0	0	957	0	0	0	0	1081	0	0	0	0	1178	0	0	0	0	0	0	0	0	0	0	12539	0	991	1220	0	2111	0	0	0	2162	1656	1790	0	0	0	0	0	0	0	0	0	1882	1032	0	1297	0	0	0	0	0	1227	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3770	0	990	0	915	0	23635	0	0	0	0	0	0	3789	0	0	0	51547	21441	0	2697	0	0	2350	0	0	0	0	1993	924	0	0	1081	0	0	0	0	Peptide	0.45454547	1.5909091	0.22727273
4	C22 H35 O10 N5	530.24567	530.24677	0.39155585	530.24585	1596	2011	854	1463	0	1011	0	536	309	0	2230	0	590	0	441	943	0	279	403	0	0	723	0	632	374	0	0	17285	0	0	0	0	0	0	0	0	592	0	0	0	0	0	0	0	0	0	0	0	0	0	1150	510	0	0	553	0	0	507	0	0	0	0	0	389	0	595	0	0	0	0	0	0	0	635	0	0	0	0	0	77210	0	0	0	0	0	0	560	0	0	431	95619	26204	0	7053	2110	0	1443	1426	0	352	409	407	0	0	0	366	443	0	359	0	Peptide	0.45454547	1.5909091	0.22727273
8	C27 H35 O8 N3	530.2497	530.2507	0.21486264	530.2498	3950	3310	4056	3099	0	1388	1818	6340	0	3531	1477	2015	0	0	3482	11100	1030	0	1372	7998	5126	12363	2661	14850	7053	1717	2872	0	3326	2693	4794	4188	4848	2965	3597	3756	3975	2859	1860	7949	2140	1473	0	0	0	10351	2008	0	3675	3101	4188	3555	1707	0	2219	879	1942	8163	2623	0	8000	3896	0	0	0	879	1812	1888	0	5532	0	3277	1585	2775	1097	2686	0	2650	4221	0	2715	2745	3138	5178	0	0	3874	1875	1796	4684	0	0	22851	6955	11043	0	5149	2639	0	0	0	4185	2832	6520	0	10008	0	0	6720	0	Phytochemical	0.2962963	1.2962962	0.11111111
12	C27 H35 O8 N3	530.2497	530.25055	0.16107842	530.24976	6701	6228	3855	2356	1671	2101	4863	6254	1242	3301	0	3015	0	1487	4184	8156	0	1323	2595	9963	3253	18656	6669	17976	10029	900	2089	0	3793	2915	4048	3336	11437	5981	4533	3003	5424	4549	4094	5937	0	2246	0	0	0	9578	0	0	5087	3744	4362	3454	1452	0	1528	1115	1521	14253	0	0	0	4568	0	1135	949	1955	3369	0	0	5391	1712	2114	3405	1973	2292	3665	0	3496	5772	0	6359	5123	5636	3153	1332	2044	9035	2196	0	11231	11061	14827	31131	6396	7962	0	4156	5329	0	0	2310	4353	2502	3194	0	12221	0	0	7619	0	Phytochemical	0.2962963	1.2962962	0.11111111
10	C27 H35 O8 N3	530.2497	530.2506	0.19248886	530.2498	7538	6322	9038	5726	0	4460	10170	15202	0	7994	0	4082	2500	2580	12084	12152	6080	4234	4154	15164	9328	21782	11162	19210	27226	0	7694	0	5108	9684	8834	11854	14362	10732	11332	13232	12306	10182	5814	11460	6530	4042	0	0	0	10870	4904	0	13652	8974	7144	6924	5208	0	3774	2208	2850	16714	5986	0	0	12454	0	3898	0	3848	1914	6122	0	5736	0	8804	9608	4322	4806	6236	0	9310	11060	0	8662	6262	7130	8730	2058	2524	11666	3300	4450	15472	11658	17816	40868	8794	12816	0	10172	12126	0	1420	0	10356	3696	9030	0	10384	0	0	16798	0	Phytochemical	0.2962963	1.2962962	0.11111111
18	C25 H39 O11 N1	530.2596	530.2603	0.026777348	530.2596	78531	64142	60434	63838	36542	48513	52522	111459	66023	89859	41904	44889	87847	26233	96149	99645	43778	80688	101729	94587	58236	58606	95093	97485	84809	39428	44894	39776	102807	89831	83816	87459	91221	80830	81269	113532	94004	65591	45073	61514	17484	46664	1653	0	0	70828	30325	0	88978	87999	66041	63899	52523	0	122281	64468	42555	78967	96283	24979	92620	41301	73309	59510	30315	57158	50830	43459	26343	53931	29103	74943	71959	98165	57884	78252	0	67098	64844	32339	56741	38709	68687	41815	60924	55790	58906	37693	57492	36883	69052	76525	125654	26425	49847	0	67260	76150	38114	40405	58684	106985	47287	95646	44309	63756	50646	0	60023	71334	Lipid	0.44	1.56	0.04
12	C25 H39 O11 N1	530.2596	530.2604	0.14977372	530.25964	3090	3454	5273	2591	3405	1921	5816	8999	1916	2252	2443	4722	1550	1669	4618	2288	6595	2040	4237	4950	4867	0	5444	6570	6092	1983	2838	0	8766	6094	4987	4790	10921	3474	8638	7272	8264	4562	3782	3171	0	2964	0	507	0	3711	0	0	5159	11576	3738	3602	2208	0	3754	1984	1792	11460	0	0	0	0	2484	1791	2585	2945	2722	0	0	0	0	5640	6750	6465	4468	4556	0	6407	6127	25284	4045	3018	4755	3653	3069	3437	3833	2090	4458	5029	20153	10864	8059	2709	2120	0	3168	4866	2044	2858	3177	5456	4251	3351	0	6417	3147	0	4788	3520	Lipid	0.44	1.56	0.04
14	C25 H39 O11 N1	530.2596	530.26044	0.13834508	530.25964	54118	50548	22404	59970	15244	22638	56098	63510	31908	29278	20310	27932	30382	16236	64604	41784	57692	25876	33958	37998	41602	61242	68882	113414	78426	27400	41480	0	108554	72242	41670	41134	82158	81372	30862	110590	71388	48522	47262	44138	16952	63152	0	3333	0	41552	30174	0	69024	58250	36088	19038	20062	0	29152	26288	15914	82988	44582	13024	0	20702	10430	18610	14584	29084	31972	41066	0	24190	15986	71220	47386	74636	55706	54742	0	51708	46686	50894	46468	44942	38212	19036	28964	19758	65820	21044	26634	50420	80560	74094	125130	23784	42382	0	45706	48798	25472	30378	41728	86600	40786	78110	0	57360	27728	0	19408	24778	Lipid	0.44	1.56	0.04
26	C25 H39 O11 N1	530.2596	530.2603	0.14299333	530.25964	17263	15354	14331	16512	1998	2536	2198	52514	0	6610	2267	3417	6669	2422	11971	251697	471998	0	5300	5826	0	4957	7513	96680	13346	0	0	3193	0	0	4238	13425	3966	10075	12165	18701	6382	8095	276246	3228	0	33223	0	0	0	5214	0	0	20436	0	16140	18452	0	0	6433	0	0	43157	3672	0	201985	2793	5312	4476	0	4689	3825	213947	0	5560	0	7864	3111	11592	163665	4668	0	2887	2519	0	0	2931	4014	3275	0	0	2649	3894	0	40184	3771	5356	40118	0	0	0	15903	20002	0	0	0	28762	0	0	0	102693	0	0	11451	4859	Lipid	0.44	1.56	0.04
16	C25 H39 O11 N1	530.2596	530.2604	0.07597163	530.25964	29429	27104	31645	31558	17167	18388	28032	58974	23521	24305	18243	27618	31266	11761	47911	50210	26822	24854	50848	46777	35134	19827	48751	54790	42420	20690	27235	12999	50325	52505	38002	36893	46635	29119	26852	56284	45881	32555	29874	30171	13772	26569	529	0	0	35681	25312	0	43574	55969	33708	28319	19807	0	46073	25656	20806	37398	39024	24614	48172	18271	32134	27396	14194	30243	19138	26720	19507	22608	19150	39256	37932	59223	44225	37547	0	38027	34135	16033	32076	19642	36615	19692	27277	23667	36086	16926	21174	31214	29507	35054	62331	11367	23023	0	36745	43860	18040	21195	30117	49357	28177	48367	18118	33864	23536	0	32769	33052	Lipid	0.44	1.56	0.04
28	C29 H39 O8 N1	530.27484	530.2755	0.07852915	530.2749	4357	3471	3593	2871	5278	1575	1654	2901	3221	5123	4665	1935	4118	2138	2435	3006	0	2251	4922	5683	7741	2221	2664	3398	0	22659	1204	6142	3873	2248	2734	2838	4100	3561	6548	3139	3856	1400	2318	6046	6483	0	0	0	0	0	3333	0	3554	3855	3950	2771	3614	0	3981	4763	1736	4062	1704	1425	4795	3565	4388	3254	1499	5910	3190	3441	21211	17969	26718	2720	2165	0	0	2022	0	1309	4964	3156	2048	1732	4569	5709	8369	1913	5341	2172	2522	2863	4590	3131	2268	2554	0	0	3271	3583	2996	8504	8003	4493	1374	2779	0	3861	3139	0	2392	2811	Lipid	0.27586207	1.3448275	0.03448276
22	C29 H39 O8 N1	530.27484	530.2756	0.025849376	530.27484	190929	204326	176320	199516	212311	121245	121365	210246	168628	237399	238120	126110	155824	108356	146590	246935	192164	194740	233595	363395	313427	172516	180597	241592	167509	532649	128734	240432	199563	187864	181647	201636	252983	183607	244575	215026	246822	156647	313629	278723	231498	129666	0	0	0	184550	168269	0	217388	184932	200693	183637	156205	0	227006	175612	111291	212160	138094	137010	245555	163154	164428	149801	96769	175013	154318	216390	402244	509427	558548	165922	158940	170879	168896	213987	0	137464	225560	128500	172618	110716	151938	201087	231158	149918	213198	129228	155642	235258	234561	232573	272142	129299	190088	0	175659	203916	133774	189862	187641	271925	131360	242194	124412	192836	190082	0	169668	157130	Lipid	0.27586207	1.3448275	0.03448276
24	C29 H39 O8 N1	530.27484	530.2755	0.06597813	530.2749	310903	308500	290218	427638	351019	210079	165618	252547	458022	378662	383490	155730	341769	185960	219241	310561	208702	304251	681928	566863	746454	253802	237620	321502	218849	771937	146134	410006	266764	225838	231250	256998	296605	235263	470735	275141	335466	174288	238233	422048	332483	184426	0	0	0	263728	199707	0	295014	240439	282470	284651	274369	0	597386	304428	156286	309823	240881	158265	297917	259660	445852	433262	139222	280687	218334	235948	649043	826969	825037	228439	225424	205392	183833	201542	0	201906	317064	176705	367302	179806	189504	273802	370118	227457	326364	177203	209675	259903	316762	327994	393616	199314	270596	0	309560	294628	226170	313329	357250	344832	144907	360185	167699	278465	291521	0	214689	310973	Lipid	0.27586207	1.3448275	0.03448276
18	C29 H39 O8 N1	530.27484	530.27563	0.06925631	530.2749	14469	9406	8828	11277	7624	6411	9585	9823	5454	9850	9681	8379	3946	6214	7174	18589	17413	6698	5652	22054	12837	12380	6183	16507	8360	15668	13229	11840	11113	11764	15307	12411	14876	9474	5695	16182	11679	9142	21972	14338	16328	7832	0	0	0	7733	7952	0	8013	10797	9871	12788	6344	0	4566	3767	2973	10930	6338	11334	13012	5174	1758	3537	3531	5563	7770	17506	17231	18311	27778	8876	9982	10071	14103	11891	0	7252	10721	7580	7899	6675	9483	11817	3692	5022	10671	6183	8743	23911	13229	14108	16340	5381	13403	0	9745	12178	3873	3328	5142	17417	4951	13807	3452	11579	3456	0	12232	3798	Lipid	0.27586207	1.3448275	0.03448276
26	C29 H39 O8 N1	530.27484	530.2756	0.056634583	530.2749	24116	19182	23781	23740	26103	11694	7287	20647	20664	30045	35617	7700	25752	13105	14645	28183	18511	23584	34904	57491	47407	17989	14495	29101	17968	89146	8690	33187	24810	18870	19619	24908	25063	19068	43746	23071	25696	12555	12852	40289	31341	12620	0	0	0	27164	16913	0	20270	17016	21187	20258	23094	0	26046	27457	9682	25495	16128	9611	28111	26799	22063	18947	8140	24167	18674	13414	81930	84142	86580	21490	19635	19580	10555	16620	0	13640	29589	13152	16093	10638	16570	26798	37937	13245	19475	14588	16352	20755	26401	23640	28641	16747	27550	0	20959	24782	16253	36447	34848	30965	7727	23172	12486	20823	25047	0	12694	16677	Lipid	0.27586207	1.3448275	0.03448276
10	C23 H39 O9 N5	530.28204	530.2829	0.23987223	530.28217	0	0	0	2009	0	0	0	1037	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10639	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1450	0	0	0	0	0	0	0	0	0	0	0	0	0	0	987	0	0	0	0	0	0	0	0	0	0	0	0	40292	0	0	0	0	0	0	0	0	0	0	129728	41557	0	6451	0	0	1292	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.39130434	1.6956521	0.2173913
4	C23 H39 O9 N5	530.28204	530.28326	0.34502974	530.2822	457	607	591	834	0	3073	0	0	0	0	0	0	332	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4610	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	297	0	0	0	0	0	65961	0	0	0	0	0	0	0	0	0	0	46709	10015	0	2678	0	0	465	653	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.39130434	1.6956521	0.2173913
6	C23 H39 O9 N5	530.28204	530.2832	0.36401933	530.2822	4609	3269	2651	4583	0	5711	0	0	0	0	3661	0	0	0	0	1339	0	690	0	0	0	800	0	1304	0	0	0	45283	1061	0	0	0	0	0	0	0	762	0	0	0	0	0	0	0	0	0	0	0	0	0	4724	3551	0	0	0	0	0	770	0	0	0	0	0	0	0	0	0	0	0	0	0	0	583	0	0	0	0	0	1293	241076	0	0	0	0	0	0	1013	0	0	4745	318806	111218	1370	18849	2913	0	4490	3573	0	0	0	0	0	0	0	1339	0	0	1113	0	Peptide	0.39130434	1.6956521	0.2173913
24	C26 H43 O10 N1	530.29596	530.29663	-0.003303815	530.29596	13286	13824	18569	16165	12751	19511	25182	21746	17540	26159	4689	5304	27464	12293	20239	10961	4982	35857	34732	19434	11153	18115	12897	14936	24203	2508	13309	8810	29300	18142	24661	19645	30946	21329	30886	23942	39781	14285	5106	6418	1155	11987	0	0	0	8469	0	0	19070	13438	12330	20008	11688	0	35874	14717	5479	17359	24755	0	19059	7467	23765	14844	8251	25611	13296	5519	0	8057	0	19190	20169	24893	3846	13451	0	18149	12302	4771	11182	5487	24278	10925	8886	13986	10859	4026	12189	3637	24962	35780	29693	2996	3450	0	19199	17090	7579	8498	9155	21582	9064	22097	7350	20015	9146	0	7595	23925	Lipid	0.3846154	1.6538461	0.038461536
20	C26 H43 O10 N1	530.29596	530.2967	0.014696719	530.29596	13018	15013	16226	15306	12323	9682	25470	17403	12162	8788	7856	11514	14901	6310	17203	23258	11476	19837	33124	11772	6812	9775	16200	17447	18421	5578	18310	6846	36460	24188	15791	22106	20910	16866	9802	23397	19047	15307	8878	3837	3513	10975	660	0	0	10792	1541	0	20021	17907	12966	16123	9934	0	27594	15412	8317	20991	16068	1760	19415	3629	23701	17515	10592	15693	11454	10635	3016	6220	0	14280	20273	21764	17646	17322	0	14680	15614	4291	9836	7311	36565	14830	17592	11070	16863	9281	13909	7559	18003	17811	21788	5031	3945	0	15833	14790	9431	16090	15104	27087	13207	18060	7095	16706	12925	0	13916	18333	Lipid	0.3846154	1.6538461	0.038461536
26	C30 H43 O7 N1	530.3112	530.312	0.048939332	530.3113	22228	21283	21372	21940	34577	13681	13637	26851	23988	20575	30160	15772	20369	18460	17047	21540	26702	14533	32174	42377	29640	14176	18663	27271	25289	69614	14154	33641	26738	34035	23638	21937	31604	23395	19953	31299	26350	14797	22452	34001	28914	24593	0	0	0	22001	17891	0	25887	24405	24699	21172	28132	0	30191	27098	12983	24369	20494	18383	34938	16329	20387	17594	6897	19250	16007	25954	68209	59817	51409	22941	23178	24115	13376	22229	0	14308	21681	29182	18433	13291	23221	22708	30930	18040	31492	18977	18856	25790	26193	29180	35493	17301	10530	0	22102	21491	17765	30686	38506	43826	13223	25494	13354	25330	26460	0	21840	19099	Lipid	0.23333333	1.4333333	0.03333333
28	C27 H47 O7 N1 S1	530.3146	530.3151	0.21532235	530.3147	13029	10638	14021	10183	0	0	0	0	0	0	0	1462	0	0	0	0	3941	0	0	0	0	33180	62284	45531	0	0	0	0	0	0	2756	19889	9231	20213	0	4894	3832	4475	4787	0	0	0	0	0	0	6712	0	0	0	0	11643	11979	0	0	0	0	0	7622	0	0	10487	0	0	0	0	0	3071	4226	0	0	0	3790	2352	0	0	0	0	3703	87023	3994	65428	0	0	0	0	0	107501	1888	2148	371182	11251	6470	72762	1758	0	0	10443	12828	0	0	0	11646	1762	0	0	33926	0	0	1802	0	Organosulfur	0.25925925	1.7407408	0.037037037
16	C23 H47 O12 N1	530.3171	530.3179	0.1548521	530.3172	1825	4373	2576	4099	0	1956	0	1850	1820	0	4180	0	0	1620	0	0	0	0	0	2318	0	0	0	0	1604	1321	13819	6262	0	2189	0	2895	0	0	0	1597	0	1439	1656	0	0	1365	4094	5231	4486	1361	1840	4241	2518	2485	2009	3881	0	3680	1818	0	3902	0	9926	2765	0	2901	2165	1440	3047	0	1686	0	2971	1488	1970	0	0	0	0	1453	4590	1736	0	21725	0	1687	0	0	0	1636	0	1924	0	0	158914	38428	0	4024	0	3886	2482	0	2499	1314	1818	0	1404	12611	105162	0	0	4990	0	1635	Lipid	0.5217391	2.0434783	0.04347826
8	C23 H47 O12 N1	530.3171	530.3183	0.07877236	530.31714	3202	4370	4092	4345	0	10335	0	0	665	0	2318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	75245	0	0	0	0	0	0	0	0	0	0	0	0	0	2772	0	0	0	0	0	0	0	0	4820	4358	0	0	4618	0	5071	0	0	0	0	0	0	2109	1747	1673	5279	0	0	0	0	0	0	0	0	0	0	0	0	339014	0	0	0	0	0	0	0	0	0	0	390713	160572	0	23076	2881	0	4159	2418	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.5217391	2.0434783	0.04347826
10	C24 H43 O8 N5	530.3184	530.3192	0.20569895	530.31854	11989	14813	12560	12573	0	18749	0	0	0	0	8951	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	132877	0	0	0	0	2509	0	0	0	1091	0	0	0	0	1494	0	0	0	0	0	0	0	0	14476	11600	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	530579	0	0	0	0	0	0	0	0	0	0	1239285	497030	0	60999	6212	0	14140	14859	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7916666	0.20833333
12	C24 H43 O8 N5	530.3184	530.3194	0.24870922	530.31854	8004	6047	12452	8854	0	5019	0	0	0	0	6692	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	139745	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10847	9461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	521742	0	0	0	0	0	0	0	0	0	0	924872	519311	0	52570	4105	0	9990	6254	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7916666	0.20833333
14	C24 H43 O8 N5	530.3184	530.3191	0.17326035	530.31854	3351	3758	2800	2302	0	0	0	0	0	0	2584	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37640	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1763	5318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	154439	0	0	0	0	0	0	0	0	0	0	546571	186554	0	15027	1417	0	2807	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.7916666	0.20833333
6	C31 H47 O4 N1 S1	530.32983	530.33014	-0.37850484	530.32965	0	0	0	0	0	2864	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10473	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20051	0	0	0	0	0	0	0	0	0	0	44714	2119	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.12903225	1.516129	0.032258064
22	C27 H47 O9 N1	530.33234	530.33295	0.046896387	530.3324	1875	0	1889	1391	0	0	22633	2154	1772	0	0	0	0	0	1146	2521	0	2503	2691	0	0	0	1289	0	2638	0	15725	2901	2432	1176	1106	0	1211	1105	0	1450	2311	1526	2580	0	0	0	0	0	0	0	0	0	1224	2415	1419	0	0	0	0	0	0	2065	1683	0	0	0	1454	0	1453	0	2591	3278	0	0	0	1335	1593	5056	2577	1232	0	1147	0	0	0	0	20549	9617	0	1547	2453	0	985	1398	2359	0	1867	0	0	0	1682	1577	1427	0	0	3454	1324	0	0	0	0	0	0	2173	Lipid	0.33333334	1.7407408	0.037037037
26	C27 H47 O9 N1	530.33234	530.33276	0.09682698	530.3324	0	2736	2267	0	0	0	34834	0	3901	0	0	0	0	4440	0	0	16311	0	0	0	0	0	0	0	0	0	16691	4104	0	0	0	0	0	0	1381	0	6355	8064	21497	0	0	0	0	0	0	0	0	0	2060	0	0	0	0	0	0	0	3264	0	4007	0	0	0	0	2617	0	5052	5276	8433	0	0	0	0	0	0	0	0	0	0	3352	0	0	0	7674	2743	8598	0	2846	0	0	0	6038	6398	0	0	0	0	2086	0	4622	2986	0	0	0	0	7563	2980	0	0	3714	0	Lipid	0.33333334	1.7407408	0.037037037
18	C31 H47 O6 N1	530.3476	530.3488	0.00110086	530.3476	0	0	0	0	0	0	0	15924	0	0	0	1494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12155	3747	0	0	0	0	14021	0	0	0	0	0	0	0	0	0	0	0	0	0	28284	0	0	0	0	0	0	0	0	0	0	1910	0	0	0	0	0	0	0	0	0	0	0	0	19025	0	0	0	1962	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.19354838	1.516129	0.032258064
18	C24 H51 O11 N1	530.3535	530.35443	0.1879929	530.3536	0	1940	2279	2111	0	0	0	0	0	2446	3089	0	0	0	0	0	3465	0	0	0	3838	7845	0	0	0	0	0	0	0	0	0	0	0	0	3420	0	0	0	3652	1483	9934	0	611	745	0	0	17730	0	0	0	2130	1502	0	12071	0	2750	7477	0	84743	9070	8147	5891	0	25776	0	3090	0	4047	0	0	2944	0	0	6265	6013	0	0	0	0	0	0	0	0	0	0	0	0	2558	0	7084	0	5378	5734	0	0	0	2723	0	1580	0	0	2957	0	15719	231052	5299	0	0	0	0	Lipid	0.45833334	2.125	0.041666668
20	C18 H19 O15 S1 Na1	531.0415	531.0424	-0.7278391	531.04114	0	3860	0	3508	8104	0	0	0	12325	0	0	0	7610	0	0	0	0	3316	3598	0	0	3308	0	0	0	2454	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1702	0	0	0	0	2324	0	3424	11320	0	0	0	0	0	0	25616	8094	0	8704	0	0	0	0	0	0	0	0	0	0	0	0	4154	0	0	0	0	0	11774	0	3076	0	0	0	0	0	0	4446	0	0	0	0	6660	20950	12292	0	0	0	3530	0	7248	0	0	23496	Organosulfur	0.8333333	1.0555556	0.0
14	C24 H18 O14	531.0769	531.07794	0.19791223	531.077	6868	5583	2869	3297	10187	1504	0	0	12888	5338	5284	0	20651	2053	0	0	0	8145	9934	1629	4178	13628	2473	0	0	0	0	0	0	0	0	0	0	0	13185	0	1460	0	0	1194	0	2392	0	0	0	4508	15191	0	0	0	4233	3240	6234	0	10948	18488	3357	0	0	0	0	3849	36160	10485	3820	22866	2700	0	0	0	1382	0	0	0	0	0	0	0	3125	0	3412	5442	0	0	21575	4751	2507	2772	2895	0	0	0	0	25187	12931	0	3822	4202	14672	27718	19088	0	0	0	0	0	11821	0	0	18245	Phytochemical	0.5833333	0.75	0.0
20	C24 H18 O14	531.0769	531.07776	0.23289868	531.077	9609	15540	12176	7679	31391	14879	1558	0	33581	15981	3583	900	57505	10742	3532	2049	0	24895	28856	3640	7589	36487	5873	0	0	2380	1645	2324	0	0	0	0	0	0	14741	0	4763	4029	0	2469	7772	3185	916	0	0	8814	22544	988	0	0	10238	8983	18456	0	30342	31309	11585	0	1698	1186	3173	6366	60396	26462	8635	31180	8531	1459	2295	0	3445	0	0	0	0	0	0	1253	18123	19208	14439	12719	0	0	39992	16541	9658	3672	4283	2705	3274	5146	0	38847	19647	0	8691	10453	28255	45211	34780	2769	1847	0	16549	2051	21704	0	0	57359	Phytochemical	0.5833333	0.75	0.0
18	C24 H18 O14	531.0769	531.0778	0.24534333	531.0771	9252	12046	7497	7464	29275	12767	1400	0	26293	15247	6564	2088	55297	10910	3591	0	2028	27187	20632	5944	16934	36180	5871	1190	0	0	0	1465	0	0	0	0	3972	0	13025	0	2136	3648	0	6022	7422	3330	0	0	0	12447	23269	531	0	0	8091	11618	16318	0	28223	34365	10047	2615	1348	2044	0	9402	58518	28617	10233	33945	10389	1777	0	1712	3994	0	0	0	0	0	350	1963	12991	20342	11741	20012	0	2384	41100	15576	5101	8841	6231	1755	0	2078	3802	33984	24400	0	6883	9952	33009	41896	39040	2313	1745	0	15666	1625	26037	0	3790	46349	Phytochemical	0.5833333	0.75	0.0
24	C24 H18 O14	531.0769	531.0779	0.3021794	531.0771	18082	12854	12790	6190	26550	21672	0	0	31377	17616	4958	3462	88262	17444	6012	2876	0	39326	46588	8408	11818	31474	9174	0	2966	0	0	0	0	0	0	0	0	0	16640	0	6604	8930	0	7020	6885	0	0	0	0	8772	22864	0	0	0	12712	11270	16062	0	48734	39196	12080	0	0	0	2134	4578	83158	43716	10134	39036	6352	3072	2758	0	3590	0	0	0	0	0	0	0	21374	18910	17150	13302	0	3062	52968	21170	6306	5884	0	0	0	3174	2572	24670	33459	0	16210	10046	23286	41190	44106	0	1814	2788	13054	2384	37488	0	3154	75394	Phytochemical	0.5833333	0.75	0.0
22	C24 H18 O14	531.0769	531.0778	0.28894985	531.0771	11312	7924	8398	9427	22728	8765	0	0	27369	9703	3544	1445	41407	5088	1744	0	1551	24059	20146	4262	6125	23182	6329	1461	1282	0	0	2437	0	0	0	0	1504	0	11363	0	2036	2275	1453	3298	3077	2600	0	0	513	8900	16035	0	1886	0	13230	7412	14245	0	20262	28894	7128	2573	1556	1004	1767	6757	46660	29820	5868	27626	6623	0	2692	2128	3455	0	0	0	0	0	0	2275	11946	16924	8351	10628	0	1182	35859	13376	6618	3535	5336	0	0	0	2721	24053	22223	0	9426	6194	19482	33640	29953	1556	2164	0	11074	0	20574	0	2658	43997	Phytochemical	0.5833333	0.75	0.0
12	C24 H18 O14	531.0769	531.07794	0.21664657	531.077	0	2964	4738	0	11570	2262	0	2542	11780	0	0	0	13894	1986	0	0	0	5818	5756	2802	3712	0	0	0	0	0	0	0	0	0	0	0	0	0	9832	0	0	0	0	0	10034	0	0	0	0	0	15532	0	0	0	3626	0	3380	0	4502	12306	3318	0	0	0	0	0	26694	10976	1568	7212	0	0	0	0	0	0	0	0	0	0	0	0	3364	0	2086	5104	0	0	13888	3290	0	0	0	0	0	0	0	14564	7500	0	0	0	17916	23956	16118	0	0	0	0	0	8566	0	0	20600	Phytochemical	0.5833333	0.75	0.0
26	C24 H18 O14	531.0769	531.0777	0.2906946	531.0771	5861	6192	5762	6816	17298	7520	1561	0	12935	7425	0	0	39454	7912	0	0	0	19015	15022	0	0	11388	0	0	0	0	0	0	0	0	0	0	0	0	8064	0	0	0	0	2125	2411	0	0	0	0	0	7235	0	0	0	6861	5032	11912	0	26614	16022	5372	0	0	0	0	3219	35071	17777	2685	15633	2685	0	0	1564	2260	0	0	0	0	0	0	0	11632	7340	7371	5392	0	0	22973	9178	5467	0	2845	0	0	2552	0	11599	12620	0	7008	0	9356	17319	16635	0	0	0	0	0	10788	0	0	37042	Phytochemical	0.5833333	0.75	0.0
16	C24 H18 O14	531.0769	531.0778	0.18214828	531.077	16834	17902	13294	15594	48742	13848	2136	0	56122	24726	19032	4994	72182	12198	7186	0	3214	22936	26256	8618	24452	57421	11378	0	0	0	0	0	0	0	0	0	4060	0	32476	0	3496	6458	0	6552	10348	5394	644	0	0	20506	44350	738	0	0	13846	21932	18348	0	34284	54464	15080	4944	0	0	0	11276	84858	46048	14432	63279	12306	0	0	0	4622	0	0	0	0	0	0	2452	19050	33372	18080	22478	0	0	52202	20254	15830	6116	10860	0	0	0	0	79226	39968	0	14462	9374	49892	70636	64534	0	3768	0	37162	0	53144	0	3080	74540	Phytochemical	0.5833333	0.75	0.0
14	C25 H22 O13	531.11334	531.1142	0.18125387	531.1134	24454	22748	24481	20713	33276	19006	4172	2964	36072	71237	45044	7218	52251	16345	3821	6785	5042	35764	31906	43114	37958	62407	13430	9743	4039	13313	7560	22725	3490	4414	4296	0	5171	4176	93649	2619	6987	9971	7100	20221	31031	7316	0	0	0	38054	64852	0	3621	2630	27069	26398	16652	0	32514	31369	15278	6820	6421	0	0	23696	55473	26907	11411	36492	14276	5602	15543	19952	29309	4231	3533	0	2358	2641	0	5140	22364	27210	14906	33305	4397	13234	39191	18959	18673	11818	9631	12767	4677	7354	11069	58371	56863	0	21045	21796	33552	50703	35594	9044	3715	11897	43680	4249	24544	0	6230	47015	Phytochemical	0.52	0.88	0.0
26	C25 H22 O13	531.11334	531.11414	0.29168794	531.11346	6945	10441	5845	7486	11185	6539	0	0	15035	16065	5997	0	30596	7413	0	0	0	23386	11260	13540	10447	13411	0	0	0	0	0	0	0	0	0	0	0	0	21621	0	2599	3453	0	6161	4191	0	0	0	0	9712	11589	0	0	0	5157	4479	7358	0	14747	11767	4621	1827	0	0	0	0	26286	13271	3455	12957	3812	0	0	7629	9389	0	0	0	0	0	0	0	8727	8214	5944	10134	0	2921	17997	7798	7880	2512	4596	0	3007	2869	0	12565	18850	0	7173	5862	9661	12568	17267	0	0	0	8989	1831	7291	0	0	28674	Phytochemical	0.52	0.88	0.0
20	C25 H22 O13	531.11334	531.1141	0.15348019	531.1134	37476	30007	30223	28995	50400	31787	6652	5813	65071	89846	26614	6607	111723	24604	14445	6212	3539	63947	61923	49777	47881	72206	16744	6745	11168	12701	5362	21060	6006	3327	4325	2606	9077	1994	112469	2764	12691	10691	3628	30105	28492	7150	1711	0	0	52276	67685	598	4053	5135	36751	36342	29630	0	59634	52495	19568	8864	7655	2486	9441	28392	114081	50925	20255	59054	21000	2809	19204	27623	17326	2751	4022	0	1848	2206	0	7024	33353	41312	19230	56535	7500	21271	67817	25767	22692	8629	15407	4628	14567	20279	4283	69585	78668	0	31766	28301	47466	53071	56269	5968	6004	6292	51855	5592	41508	0	7991	90299	Phytochemical	0.52	0.88	0.0
24	C25 H22 O13	531.11334	531.1141	0.33557498	531.1135	11176	9819	9136	7813	20872	10139	1670	0	25385	34165	9629	1313	45455	10984	4505	1775	0	28159	24170	14543	15914	25264	8824	1457	3327	6105	1438	5975	0	0	0	0	1643	1331	34588	0	3049	3546	0	7818	7853	3612	0	0	0	17439	19423	0	0	0	9196	7403	8609	0	27038	16845	5239	2886	3381	1427	0	5492	40261	18894	4422	21866	4883	0	7246	9824	12159	0	0	0	0	0	0	1550	10602	12964	9800	19713	2623	7901	30773	11692	9129	2450	4798	1797	4425	2689	0	22034	36400	0	11059	10298	15259	22002	24356	2959	847	3902	15196	0	16754	0	2284	35326	Phytochemical	0.52	0.88	0.0
12	C25 H22 O13	531.11334	531.1142	0.16255507	531.1134	11882	9776	8664	5985	14838	3341	2521	2426	17566	37962	14067	3439	20401	7390	5251	6204	0	12089	13281	17885	21295	26993	5090	0	0	4615	4059	0	0	0	2302	2596	3937	1297	43819	2159	3781	2876	2037	12274	19332	2622	0	0	0	13744	38962	0	2818	1973	10940	11320	9749	0	14907	15158	5381	5000	0	0	0	6237	34493	13702	5687	16625	4218	0	0	8326	13020	0	2785	1031	2928	1153	0	2458	11673	16063	7528	17424	2919	3930	16179	9571	9535	3536	6040	6939	0	4341	3038	26235	20990	0	9597	10675	14926	20371	21420	4259	2241	6023	26133	2895	13484	0	4195	16064	Phytochemical	0.52	0.88	0.0
20	C24 H22 O12 N2	531.1246	531.1255	0.27652517	531.1247	7075	7447	3953	6166	8283	3301	0	0	9231	11009	5394	1472	13116	1647	2371	2085	1312	8364	8235	7685	7853	25591	2690	2547	2778	1923	1403	1539	0	0	0	0	2771	0	10469	1453	0	1737	2796	10337	9299	3964	0	0	0	20722	22733	0	0	1764	4365	4232	3677	0	12778	6099	2563	0	1734	2067	4012	8963	12982	10328	3320	4624	2969	0	1518	2431	0	0	0	0	1483	0	0	2105	5170	11951	1968	13697	0	0	10443	4366	3317	1466	3579	1949	2689	3030	4101	20178	18123	0	4417	4777	5483	9419	6588	2596	1565	0	20115	2051	4627	0	1346	15140	Phytochemical	0.5	0.9166667	0.083333336
18	C24 H22 O12 N2	531.1246	531.1255	0.26184416	531.1247	12015	8720	7180	6130	8478	8965	1072	2606	13372	21618	11247	1624	19381	3921	3927	3984	3754	9898	11873	10861	19685	36250	3353	5820	2337	1790	1698	1660	0	0	0	0	5586	0	26263	0	4013	3622	2545	19316	14360	2463	0	0	0	25385	30139	0	1791	1566	7857	5182	5915	0	21034	11091	4479	4056	3258	2036	3928	15454	22624	14535	4651	13674	6301	3418	3408	5090	5415	0	1226	0	3833	0	0	1825	7942	18637	2567	29210	1770	4753	10563	7661	4671	4831	4008	4036	3832	10063	6187	28651	37264	0	9903	11682	7109	10567	9525	3767	1665	2395	26595	5741	7507	0	3152	21963	Phytochemical	0.5	0.9166667	0.083333336
12	C24 H22 O12 N2	531.1246	531.1255	0.19706145	531.12463	5017	5449	7520	4666	8250	3122	0	1204	10147	13608	7144	0	19153	1240	2402	3320	2936	7300	11470	7566	16393	23182	5013	0	0	2269	0	0	0	0	1701	0	3205	0	33479	1213	1902	2207	4118	11788	29436	2248	0	0	0	18824	37557	0	1824	0	5505	8231	6679	0	12644	7786	3371	2297	0	0	0	16096	22654	10382	2695	12695	3322	0	0	4593	10950	1117	0	0	1241	0	0	949	4462	0	4467	15356	1764	2840	10914	3397	4719	1533	2088	0	0	4859	2358	26260	11611	0	8747	7896	9654	11531	10361	2979	1685	0	23018	1695	8241	0	0	22578	Phytochemical	0.5	0.9166667	0.083333336
14	C24 H22 O12 N2	531.1246	531.1255	0.24313049	531.1247	9806	6625	7687	8765	8777	8604	2744	0	13753	32030	8291	1698	24089	2310	1500	2832	0	13543	9847	13619	22933	35754	2741	5979	0	2209	3409	0	1714	0	2907	0	3243	2044	41155	0	3354	2849	0	15487	26362	2532	0	0	0	30117	53425	0	2956	2362	11501	8630	6526	0	21078	11832	4613	2911	0	0	0	15691	32484	14184	3268	14207	4384	2403	0	3624	9145	1631	1525	0	1235	1018	0	2541	8663	23603	5900	23560	1699	8571	16913	6813	6786	4196	2295	8036	4407	5405	6399	36705	34659	0	11829	8817	11201	12148	17891	3304	1462	3032	18590	4281	8890	0	2931	26127	Phytochemical	0.5	0.9166667	0.083333336
12	C21 H26 O12 N2 S1	531.1279	531.1288	0.070652224	531.1279	5017	5449	7520	4666	8250	3122	0	1204	10147	13608	7144	0	19153	1240	2402	3320	2936	8813	11470	7566	16393	23182	5013	0	0	2269	0	0	0	0	1701	0	3205	0	33479	1213	1902	2207	4118	11788	29436	4046	0	0	0	18824	37557	0	1824	0	5505	8231	6679	0	13951	7786	3371	2297	0	0	0	16096	22654	10382	2695	12695	3322	0	0	4593	10950	1117	0	0	1241	948	0	949	4462	0	4467	15356	1764	2840	10914	3397	4719	1533	3570	0	0	4859	4720	26260	11611	0	8747	7896	9654	11531	10361	2979	1685	0	23018	1695	8241	0	0	22578	Organosulfur	0.5714286	1.2380953	0.0952381
16	C21 H26 O12 N2 S1	531.1279	531.1292	0.37102264	531.1281	13112	13506	8578	10812	17409	5607	2731	1643	19955	35043	13528	1998	27075	6233	3919	4265	3237	15273	12777	27672	24680	36528	2801	3569	2228	2995	2238	6291	1501	1782	1807	0	5974	2050	39768	2166	4665	3603	3005	30281	23331	5251	0	0	0	29128	41443	0	4811	0	10911	12636	8007	0	19486	11245	5505	7601	4058	2974	0	18654	25843	18214	0	18811	6950	0	0	13754	9519	2323	2670	1751	4430	1808	0	2471	7384	19966	4110	23152	2071	9781	15710	8849	5468	7347	4839	0	0	9655	0	32654	37000	0	13934	11894	8375	15614	15036	5072	1706	4062	33805	0	14030	0	5961	28120	Organosulfur	0.5714286	1.2380953	0.0952381
12	C22 H26 O15	531.13446	531.1356	0.51962084	531.1347	8597	6748	6513	7426	7123	4047	2691	3039	8488	5327	5864	3894	14627	1562	5412	2253	0	7918	11084	4232	11438	14811	6765	2805	1913	0	3089	0	3286	3084	2339	4053	3283	2579	10068	2611	1834	2570	3035	4375	8038	4860	0	0	0	9399	26453	0	0	3286	5214	3585	7758	0	11848	7829	4406	4158	0	0	0	4729	13616	8773	2576	13158	5303	0	0	0	2802	2317	3564	2216	2967	2664	0	3678	6243	0	5478	13434	3238	2705	8374	5997	4397	2986	4053	0	0	0	7469	16332	14169	0	7207	3394	6882	10499	7086	4346	2618	3645	23507	5609	8589	0	1661	13108	Phytochemical	0.6818182	1.1818181	0.0
22	C22 H26 O15	531.13446	531.1357	0.2563862	531.1346	4051	4299	3386	7338	5907	2336	0	0	5401	28559	32188	0	6670	0	2778	2092	0	6055	9519	13738	13545	15131	4268	4695	2762	24626	0	19432	0	0	0	0	0	0	39953	1485	1578	0	0	10154	19202	2138	0	0	0	12137	9729	0	2565	1237	6013	10803	2995	0	7004	4238	2002	0	3878	0	0	9149	7956	5459	0	7199	3266	0	24598	26736	36950	0	0	0	0	0	0	0	3680	12859	1889	8201	1354	10009	5158	4444	1851	3930	1909	1414	3665	6752	4503	27852	48006	0	6933	7361	4344	5110	6557	0	0	1792	12594	2112	4771	0	2499	20476	Phytochemical	0.6818182	1.1818181	0.0
20	C26 H26 O12	531.1497	531.15045	0.15267694	531.1498	68111	69286	75618	67652	97787	60944	21397	31749	119729	264934	94749	19632	143028	51206	43361	37647	10493	110393	114701	157236	134519	136146	40876	27658	27590	79470	20869	76148	24840	13787	23497	24411	33562	22744	298364	14047	37254	29160	15437	115617	66986	21125	2172	0	0	156243	130635	541	27904	15264	73294	65088	59449	0	105142	80065	34576	32828	31354	13229	32701	73228	136260	82091	36891	97856	47666	13176	74123	154245	118430	27436	19736	18116	16014	20134	0	27189	58434	68443	45634	101787	28551	80841	90727	50196	51245	34171	35029	16142	37281	52493	43639	101662	128160	0	68905	64004	86120	86719	80720	28198	19133	35873	110207	24100	70146	905	25382	157113	Phytochemical	0.46153846	1.0	0.0
26	C26 H26 O12	531.1497	531.15045	0.23543446	531.14984	7980	12092	8747	9638	12735	7514	0	0	20135	35137	8020	3169	31861	8217	0	0	0	19381	18544	17278	22535	16651	0	0	0	8947	0	5604	0	0	0	0	3510	0	42527	0	2654	0	2595	13460	5775	0	0	0	0	15472	15629	0	2223	0	11117	8010	8454	0	18773	19628	4789	2827	0	0	0	6613	35069	16931	3445	18761	5255	0	9910	27712	19835	3825	0	0	0	0	0	0	8950	9193	8130	15428	0	8730	24875	9253	6996	0	3453	2676	4677	7436	7204	14298	28638	0	10809	12343	13302	17286	15482	0	0	0	7749	0	12783	0	2670	30864	Phytochemical	0.46153846	1.0	0.0
18	C26 H26 O12	531.1497	531.1505	0.17488824	531.1498	86758	92995	76120	82676	99765	56800	23889	36366	108993	297709	121661	27532	146606	55091	35158	39142	16535	94594	109805	177711	157616	130469	50488	42453	32320	107134	21035	81675	31059	23133	33555	29216	45287	32085	351022	30804	41727	36433	25377	112233	80225	31717	1869	0	0	144225	141711	0	35236	29556	82477	74566	61249	0	121382	81319	37307	42999	39801	22791	31129	82470	150177	78611	36984	99093	43686	19656	94749	151701	152560	33694	21282	21754	18128	29144	0	24244	68862	84181	48854	126549	28048	78480	95009	57306	54889	32041	35717	24097	52790	64832	51377	118996	178538	0	92878	82089	92270	90650	87504	30029	22764	36290	106516	31423	66427	0	33627	129103	Phytochemical	0.46153846	1.0	0.0
24	C26 H26 O12	531.1497	531.1505	0.30746153	531.14984	15947	22860	21805	19835	29454	16201	2071	5288	39588	68635	20237	2981	55962	10488	6105	5720	3079	33672	33480	37984	39537	31228	10904	5475	7433	31582	3361	15100	2538	0	3751	3076	5427	2689	84364	2212	10116	6418	0	26110	19182	4837	0	0	0	35982	39953	0	2909	2688	22891	19717	17998	0	41327	28520	10334	4042	7715	2498	5532	16470	51809	25885	10044	35941	7313	4107	22407	49500	39421	4766	3188	0	2632	1330	0	5869	17819	20140	16304	29434	3213	17706	46023	16616	11336	6072	8914	3574	9116	10611	9829	33264	44843	0	18853	17450	24137	29212	25051	4093	2345	6009	27415	5634	23269	0	6237	55500	Phytochemical	0.46153846	1.0	0.0
16	C26 H26 O12	531.1497	531.1505	0.14853221	531.1498	77014	68149	60391	68823	61266	45996	27012	29594	74429	231824	112438	20898	83736	32450	26902	29008	17631	76308	73541	152364	137936	124202	45143	32464	29603	83329	21980	66834	26407	19226	34577	25820	39649	24511	288099	27127	34790	35022	22570	85220	74198	23950	883	0	0	118742	131852	0	38784	28557	71633	72007	48545	0	73220	54971	27760	34926	34039	25581	45854	50570	95433	66591	30086	80259	40214	21046	86750	128200	111872	32565	26541	22567	17637	28776	0	28577	60416	68271	42705	98582	27951	65898	78512	36749	44240	23668	34560	32732	35155	43883	0	97792	135252	0	68350	53375	72299	69434	66169	29724	20049	34349	101138	36489	56513	0	30734	97060	Phytochemical	0.46153846	1.0	0.0
28	C26 H26 O12	531.1497	531.1505	0.3062292	531.14984	4848	3613	4877	6645	10626	5001	0	0	8068	19617	4451	0	17709	3616	0	0	0	9837	8933	9972	12417	9340	3261	0	0	5826	0	4256	0	0	2572	0	2500	0	21212	0	1676	1927	0	6886	4812	0	0	0	0	7896	8117	0	1367	0	5755	4594	5670	0	11074	7600	3535	2969	0	0	2252	4468	14472	8036	2575	10694	4725	2317	5541	12077	11473	0	0	0	0	0	0	0	6032	5959	4955	5049	0	3296	11566	6270	2252	2116	1769	0	4711	4395	3238	5355	11002	0	4325	4939	6995	10223	9257	0	0	0	5943	1954	7528	0	1786	12907	Phytochemical	0.46153846	1.0	0.0
10	C25 H26 O11 N2	531.16095	531.16187	0.15448563	531.161	10949	13198	12103	12144	8142	5095	4090	4566	10010	40144	23284	5393	13613	2951	5281	6361	6409	8691	11217	25747	34295	27870	5436	7725	4052	9648	4354	8208	5631	3373	2944	6588	10163	6112	50557	4915	7019	4885	4979	25618	28736	4129	0	0	0	19069	35825	0	9102	4845	13506	12658	7543	0	13860	8307	3867	7423	4287	9068	0	17386	21546	9021	5524	9643	5428	7535	11729	20092	19746	4546	5711	3543	5350	3585	0	4545	9290	11863	7007	16747	6660	13230	8298	6565	8781	4537	5075	10817	5032	12187	14286	20071	26597	0	14272	14312	5256	9342	8676	5830	3092	11562	0	6792	6891	0	7263	17052	Phytochemical	0.44	1.04	0.08
16	C18 H35 O14 S1 Na1	531.1718	531.1727	-0.10650591	531.17175	15035	18559	17209	17635	9839	10652	8863	23591	17231	28212	11128	7709	22356	6674	17174	14402	7255	15029	20315	32187	20577	33819	12098	18547	14010	9375	6261	9403	20152	11556	15904	16594	23711	13002	37871	17394	16871	13326	8266	21482	22894	8070	0	0	0	47468	26312	0	11350	14995	16357	18467	9329	0	26079	10054	6734	12710	20437	7057	0	16088	13556	15218	3371	15587	11055	7348	9399	21599	13317	19637	15770	19342	6302	13988	0	16174	16155	12532	12794	34378	13260	9768	4114	5509	10309	7382	8800	0	7679	14564	0	16809	25678	0	15105	17580	8571	7742	0	16950	10873	19808	30587	22017	8731	0	10188	19490	Organosulfur	0.7777778	1.9444444	0.0
0	C25 H31 O11 Na1	531.18365	531.1849	0.32934278	531.18384	6042	5725	5424	4276	0	0	2733	5492	0	0	0	1949	0	0	1320	0	16301	0	0	0	0	0	0	5219	0	0	0	0	2586	2917	2587	1960	9350	0	0	1882	15955	1121	22783	0	0	0	0	0	0	1281	0	0	5475	2800	3942	2870	0	0	336	0	0	21745	0	0	0	0	0	0	0	0	0	29324	0	0	0	2325	3040	0	0	5821	0	2246	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5379	0	0	0	4576	6324	0	0	0	5783	2086	0	0	8860	0	0	2011	0	Phytochemical	0.44	1.24	0.0
14	C27 H30 O11	531.1861	531.18695	0.12598026	531.18616	59583	52321	54933	47448	30053	22574	37233	36547	36416	106868	65575	34651	33633	22187	28733	62725	33217	35077	40672	94047	81332	68789	34881	49168	28029	73858	29919	53067	32779	40108	35904	46376	41609	29209	102732	35052	33951	32946	40242	54035	69311	19661	0	0	0	53724	78593	0	44705	44452	46443	55983	26470	0	33823	31391	21467	47383	48224	38569	55208	46938	43795	30778	20756	38387	20410	42210	76822	81865	104307	36890	31191	34145	33100	42359	0	30294	52698	39407	45606	40131	31546	43207	40144	20436	49826	20908	26232	50041	38277	43462	39631	52280	50596	0	49559	46385	40067	34074	30393	33656	25478	46680	43503	35386	33124	0	38422	38769	Phytochemical	0.4074074	1.1111112	0.0
20	C27 H30 O11	531.1861	531.1868	0.14927854	531.18616	158723	173823	162684	149558	165176	118160	70510	105023	189815	495131	212716	61798	248527	103333	109760	116191	59045	181037	214773	381999	339780	207835	115259	111889	90941	303420	65890	176178	94850	76012	90498	99028	110491	92083	560453	88245	125773	81334	56114	239218	168775	72240	2572	755	0	235410	205895	610	96893	84509	172060	166726	111327	376	193379	139419	78094	112666	99050	54329	108779	156356	241078	157725	80917	188324	103378	64714	232300	415087	356015	101197	90932	83973	58212	83033	0	82206	141012	109709	119166	149622	80906	195247	173686	97734	120949	71561	88761	75724	129815	115173	135897	140592	196453	1379	173041	158141	159370	155554	145039	103970	70052	112844	157717	102735	135778	0	88131	245014	Phytochemical	0.4074074	1.1111112	0.0
26	C27 H30 O11	531.1861	531.1868	0.15567476	531.18616	19114	19059	22648	16736	26279	16751	5138	6846	35447	60435	17291	5394	52166	13472	12469	12411	6550	35542	32974	37317	48331	30673	16412	15724	0	37033	4472	12732	0	0	7164	5719	7668	6046	58519	9457	12672	6416	5434	29253	20993	7359	0	0	0	28028	25271	0	7999	7900	26533	18280	15872	0	30825	27051	8790	9321	7928	5824	8497	17660	43959	24413	8750	34017	15170	4644	35808	64455	56115	7506	6560	0	0	4920	0	5257	20517	16810	15315	18925	5510	18180	32881	12222	18245	10193	7714	7252	12848	12501	14675	14775	30857	0	21396	21069	25194	30312	29522	6696	5330	8576	13394	10060	20514	0	8447	45849	Phytochemical	0.4074074	1.1111112	0.0
28	C27 H30 O11	531.1861	531.1869	0.22981158	531.1862	8826	8877	9544	7888	13644	6557	2554	3259	12726	26123	9070	2600	26639	6941	4461	4111	2871	14972	15280	19541	18743	9607	3749	4469	2904	18403	2195	7888	2759	2834	4215	2131	4475	2421	27516	2662	8058	3426	2901	11074	7011	2726	0	0	0	11550	14458	0	4363	0	9146	8728	7233	0	15971	15340	4009	5080	2711	0	5741	5986	16959	10864	4370	16688	5832	2297	18087	33782	25852	2901	1723	3169	0	3144	0	2818	8719	6007	6916	5842	3758	6447	13296	8935	6834	4920	3024	3462	4918	7452	5108	8025	12700	0	8082	7839	8374	11260	17339	5053	3291	3384	6282	3891	7597	0	2831	16500	Phytochemical	0.4074074	1.1111112	0.0
24	C27 H30 O11	531.1861	531.1868	0.14666453	531.18616	49303	47736	49845	45226	55832	40993	13232	22280	67552	152436	49924	13044	109310	28900	25238	27558	11499	62237	77239	95923	100759	56493	29922	31944	24419	85944	11762	42641	14849	14887	16485	19637	29394	18117	153649	13598	29850	22297	12775	67264	45843	18447	0	0	0	66345	52700	0	20014	17487	40888	47350	33013	0	73186	60115	23816	26116	22475	9730	21937	46237	94388	61741	23280	69766	30524	13921	68095	147893	113895	21821	16583	12769	14549	18201	0	19182	44890	28530	37978	42656	17015	44790	65643	32929	36854	15566	24151	16665	28415	35422	37060	38154	57592	0	43800	44740	48874	58754	63407	19475	16113	24894	37964	22339	50657	0	20273	95510	Phytochemical	0.4074074	1.1111112	0.0
22	C27 H30 O11	531.1861	531.1868	0.16321005	531.18616	115958	103474	92492	94059	123908	85646	35468	62159	139859	291721	130580	39061	176938	76907	66454	71803	29430	150675	127621	237415	213127	129397	64201	70334	60614	180603	34458	110594	48326	41301	53109	53757	71030	46419	365844	49502	69629	53419	39612	148576	91782	43665	3152	0	0	156968	112850	0	55856	44790	111845	99475	76053	342	165903	113599	56253	61512	56384	26539	61578	103228	178653	114247	47205	121254	58092	31336	151793	309472	243873	57041	47058	42808	28700	45485	0	46167	92047	60725	72766	112783	43141	96004	125688	59890	72987	44323	62428	43095	79803	92019	86487	81969	134503	0	89867	92057	103766	113243	103405	52272	37686	59162	102088	53193	97968	0	48090	190526	Phytochemical	0.4074074	1.1111112	0.0
16	C27 H30 O11	531.1861	531.1869	0.124851905	531.18616	102439	108855	99686	106860	78505	53079	58717	76834	90534	276099	139598	60044	95127	40997	68655	81405	63384	77870	107276	193404	197409	110121	75687	100066	63819	168852	58648	102090	67873	71550	78108	89557	74028	62479	582942	77235	86287	60429	73781	148635	137258	45681	1846	0	0	135953	142112	0	82929	69071	107622	96828	63432	0	91420	73098	54310	80740	59369	66017	92070	89817	109646	80527	44022	94409	57665	67318	149488	215666	236644	75218	76507	75169	54801	71081	0	57964	98413	82806	83141	105528	69581	117207	94848	48238	84097	42768	51662	92008	75883	75573	91531	85037	121956	0	108616	107123	84727	71800	76306	69359	52047	80958	95910	67868	69531	0	67403	102545	Phytochemical	0.4074074	1.1111112	0.0
14	C26 H30 O10 N2	531.1973	531.1982	0.1277738	531.1974	36448	35820	28765	28397	17057	17772	20960	29007	23132	78459	34341	16310	28450	11896	22118	26275	18312	20529	24168	66435	61055	64884	23347	32055	24368	26738	21923	36971	21378	21249	18812	24154	39517	20644	81981	25294	32225	20084	23777	64538	50733	16777	0	0	0	46122	33683	0	25061	23616	27958	28146	16128	0	27032	16128	12385	35818	33846	18344	0	38898	29110	22212	9752	23880	15980	19482	25495	47316	34333	24766	24939	22378	13723	20001	0	19811	22836	28918	24321	24698	23395	37880	14154	16530	23134	16905	18789	39143	28514	38543	54692	32199	49663	0	29702	31966	10930	23127	16070	36163	18985	46278	24996	26837	12680	0	23178	25214	Phytochemical	0.3846154	1.1538461	0.07692308
8	C26 H30 O10 N2	531.1973	531.1983	0.15424891	531.1974	8176	8954	6524	7607	4620	2645	3481	5422	6308	20221	6577	2763	5804	1896	4699	6959	5974	5088	6696	19134	17571	17602	4403	6723	4093	5417	3073	8099	5092	6021	4290	6466	7309	5060	22385	5197	5807	4133	9792	12689	14783	2979	0	0	0	15390	10946	0	5658	4509	10339	6126	3350	0	5774	2907	2319	6789	2907	3909	5475	12021	7040	5007	0	6148	3023	11098	6890	11374	12155	7923	4180	2989	4676	4576	0	3408	4932	9107	3799	7313	3761	8951	3532	0	4939	2852	3506	10348	0	0	11814	11531	13334	0	7987	10392	4103	4540	4414	4577	3659	8112	0	6395	2653	0	5230	6435	Phytochemical	0.3846154	1.1538461	0.07692308
20	C26 H30 O10 N2	531.1973	531.1981	0.1475114	531.1974	19493	18522	15081	15416	12966	17562	14259	12501	10580	41959	18220	9570	23712	8772	15556	18830	9280	19336	18628	26481	29912	32906	15229	15293	23838	11920	9546	18792	15311	8191	12922	14286	27097	6563	45736	10411	20289	10046	9851	33762	16989	9767	0	0	0	18201	11836	0	14222	12969	15306	18970	11281	0	19984	11068	9575	18890	19031	7710	17712	20178	20486	13129	5337	18314	11240	10687	8660	16000	16847	13444	11339	7078	5294	13014	0	8756	17703	14261	17269	13958	12616	18357	10140	7586	11965	11270	11185	16119	25687	36150	33552	19438	24608	0	15540	20379	8632	9314	7449	21848	11391	12375	19850	18006	14887	0	11180	25322	Phytochemical	0.3846154	1.1538461	0.07692308
22	C28 H34 O8 S1	531.2047	531.20605	0.6493121	531.2051	15232	18752	15085	15047	9930	7723	2803	4414	11416	42388	33978	3375	10369	9262	4409	8936	4250	9582	12322	47449	37296	27349	7077	6222	6970	53339	3354	26947	4826	5387	0	0	6207	4483	41758	5815	10421	4355	5034	34648	38119	6189	0	0	0	29738	18553	0	0	8679	10611	13233	7613	0	9512	7824	5778	10932	18948	5992	6865	26193	7247	5421	3298	9327	15364	9286	41819	62504	58402	4582	4190	2700	2419	5417	0	4605	9203	19538	4723	11524	24864	23453	14060	4230	10850	5812	5712	5689	39096	20391	12927	28306	33195	0	11407	16334	8873	13898	10104	8453	0	23622	23620	6601	7419	0	4462	12950	Organosulfur	0.2857143	1.2142857	0.0
26	C28 H34 O10	531.2225	531.22327	0.12202189	531.22253	44929	48712	48084	48683	57771	39908	13237	27143	64820	99774	47037	20230	85734	32916	34411	35832	24470	58795	75408	95937	95663	42625	36066	34737	26847	100519	11442	43628	27295	27755	24439	23029	34261	25537	117529	27409	47311	25039	19163	62940	42516	23402	0	0	0	49523	44641	0	28521	25118	52802	42201	37854	0	74114	56741	27917	38360	26892	17283	34317	39582	79078	51936	22135	59963	26455	21237	87754	155956	147611	26378	16876	18411	18297	23214	0	22176	53245	26127	44214	30215	23510	46798	73335	33740	42878	20182	26606	25023	29460	30473	42904	29209	51191	0	40550	51226	39924	67137	59234	29595	20541	33991	25498	27158	45180	0	26806	77956	Phytochemical	0.35714287	1.2142857	0.0
22	C28 H34 O10	531.2225	531.22327	0.1592664	531.22253	273935	262887	248164	259602	249354	195155	110810	231228	294452	611173	300781	123553	314351	182698	204488	193629	119474	308561	309902	589882	528965	282058	221897	235407	192877	502743	102312	286648	193042	165184	194738	206538	215421	174114	743668	176428	241571	166178	132526	357208	230713	131902	4991	0	529	304684	204207	0	194212	173113	279034	262594	198608	877	336533	241059	139631	219350	200510	106215	224489	235646	369984	253045	123269	262566	173689	131485	423680	851374	609128	195222	162738	167511	112326	161095	372	155992	237984	129991	219608	182597	157454	229057	277374	168199	220956	130506	162277	166029	249133	269241	275909	170875	244874	0	239798	252122	225140	254588	234887	208740	131983	215140	185601	199298	223181	0	158160	360350	Phytochemical	0.35714287	1.2142857	0.0
18	C28 H34 O10	531.2225	531.22327	0.12969391	531.22253	210925	215769	195752	190520	160129	111453	126476	189583	171227	359267	241506	123712	215184	99624	142994	212947	137090	169969	218591	401130	329413	192876	175576	209218	144639	389867	132237	206219	173075	168882	166461	203138	183494	168854	405271	179957	190798	136494	165492	263624	231084	111828	3527	564	0	201052	155318	0	182740	157913	208858	213717	138382	557	220421	161514	98417	190774	162618	120280	192794	168421	229675	167504	91867	182633	120151	167511	299918	444451	496228	146731	134627	171719	143261	202905	0	128357	218249	122609	197397	150929	151499	174912	205255	125699	194432	99887	119688	195599	174588	179304	225554	130645	192209	804	215550	202760	148089	176558	182116	177219	120239	190944	110943	166662	136863	0	154496	191011	Phytochemical	0.35714287	1.2142857	0.0
24	C28 H34 O10	531.2225	531.2232	0.14376548	531.22253	131264	131275	123524	133272	145721	97721	43005	96157	165451	300306	148448	56049	215861	81278	87792	97336	51026	165919	185368	277052	264960	123637	105463	105517	90339	242152	46408	136021	85075	65621	76396	84797	98999	74619	378286	83102	135206	75522	56115	172785	114330	68280	2931	0	0	129866	100968	0	86065	77908	124230	120919	95610	0	193483	137535	67756	108272	88909	38984	107838	120222	196996	128869	52246	164312	80780	59390	197803	405164	319249	89157	74922	73390	49767	73667	0	68066	137795	58202	109630	87306	63509	114154	154420	87436	110099	59596	77990	65676	103202	106880	119325	81692	126269	0	131847	132805	111146	139680	139573	94691	54904	107574	87856	84244	105639	0	73286	191090	Phytochemical	0.35714287	1.2142857	0.0
6	C22 H34 O11 N4	531.2297	531.23065	0.39527193	531.2299	2173	2551	1598	3659	0	1489	0	1462	437	0	0	894	616	515	0	1450	1874	0	1421	0	0	1168	808	3981	468	0	1207	8048	1250	1115	1381	0	2507	1543	1030	2110	2304	1164	1393	0	0	0	0	0	0	0	0	0	0	1126	2631	0	0	0	916	0	0	1631	0	0	1346	0	0	0	990	965	0	1381	0	0	0	1808	1598	0	0	1465	0	935	823	0	468	354	492	0	0	0	0	549	865	1808	54728	47515	3957	1242	0	0	2081	1908	0	0	0	0	0	0	0	1883	454	0	675	1148	Peptide	0.5	1.5454545	0.18181819
8	C22 H34 O11 N4	531.2297	531.2305	0.40372798	531.2299	1350	1185	884	1377	0	915	915	1476	0	0	0	1481	0	0	1249	1582	0	1101	0	0	0	0	937	1203	0	0	0	2318	1220	0	1095	0	1461	1123	0	0	1450	1022	994	0	0	0	0	0	0	0	0	0	1080	1242	1564	0	880	0	0	0	0	1269	0	0	0	0	0	0	0	0	908	0	0	0	0	0	0	0	0	1479	0	856	799	0	823	0	0	0	0	0	1003	0	0	0	25598	17231	3579	0	0	0	0	998	0	0	0	0	758	0	0	0	0	0	0	1012	Peptide	0.5	1.5454545	0.18181819
4	C22 H34 O11 N4	531.2297	531.231	0.44269612	531.2299	814	0	719	1909	0	1096	0	1250	0	0	0	541	929	0	908	1298	952	822	528	0	0	0	922	599	506	0	1230	4537	0	962	0	0	1277	0	0	0	1151	793	1277	0	0	0	0	0	0	0	0	0	0	0	648	0	349	0	494	438	0	1179	0	0	947	0	291	604	0	600	0	1730	0	0	0	0	519	320	0	0	0	501	0	0	682	0	410	0	0	0	525	577	874	2221	21321	7778	2221	0	0	0	0	1172	0	388	293	1014	765	0	0	899	430	0	0	643	Peptide	0.5	1.5454545	0.18181819
22	C27 H34 O9 N2	531.2337	531.2345	0.21206962	531.2338	6761	7802	7711	6729	3134	6138	5734	10608	3689	12429	7057	5004	5288	0	5852	9449	4186	7391	7139	11627	9519	10849	5500	14285	9632	1959	2955	2664	12481	7538	9171	12438	11375	8942	18241	9274	16586	6837	9212	11769	7100	5105	0	0	0	11774	5208	0	10046	7985	8460	9839	5752	0	5775	1614	2180	10010	7844	4463	9425	5235	4711	4094	1988	8379	6653	5837	5147	7583	6594	7085	8452	5465	3520	5625	0	5049	4696	5889	5268	5828	10266	7549	2222	4587	6664	7563	5753	6675	19674	18901	21228	4605	8907	0	7358	6936	2368	1731	2700	10494	4670	9132	2986	8891	2885	0	8983	6415	Phytochemical	0.33333334	1.2592592	0.074074075
20	C27 H34 O9 N2	531.2337	531.2345	0.09506867	531.23376	14608	17858	18605	13164	7273	11203	11977	18075	5611	31462	13451	5459	6336	8939	16054	19301	12428	9998	14735	30966	16211	19956	15193	22130	20148	4896	11547	18000	24113	13584	19239	16081	29128	19915	27886	14298	28083	13655	10329	30166	15322	11343	0	0	0	14286	5201	0	25371	15148	14915	15392	9969	0	14763	5558	8039	26551	21127	9959	19697	17447	7354	9542	7447	10905	10514	11031	8176	23549	3931	14426	16678	13666	13116	13025	0	12913	13023	9910	11589	11963	18761	17706	7936	7387	15993	12400	12630	25023	26769	32849	42795	13487	18995	0	19574	18091	5483	5700	5804	22697	12418	22932	9248	20963	6178	0	17062	12213	Phytochemical	0.33333334	1.2592592	0.074074075
26	C32 H34 O7	531.23773	531.2382	0.023655929	531.23773	2828	5093	5184	4219	3655	0	2368	0	4912	4728	10796	0	4950	0	0	0	0	0	0	10669	8116	2674	0	0	0	47411	0	14111	0	0	0	0	4183	0	6156	0	0	0	0	9501	10883	0	0	0	0	0	0	0	4505	0	4033	3843	4171	0	4928	0	3590	0	0	0	0	5997	3255	0	0	5316	4656	0	43573	17994	27213	0	0	0	0	3697	0	0	4438	6956	4891	4678	3812	11715	7186	0	5950	0	0	7291	4301	2665	0	4899	0	0	4800	0	4783	7046	6786	0	0	0	0	4193	0	0	3886	1863	Phytochemical	0.21875	1.0625	0.0
24	C32 H34 O7	531.23773	531.2384	0.0683866	531.2378	5224	8186	7979	9108	4451	4105	3594	4661	7149	11464	17271	2951	7169	5433	4494	8842	6161	3321	7003	7565	11682	3848	7078	6129	2996	49277	4259	19058	5814	6398	6227	6401	6187	3947	10192	2729	7900	3918	5431	12741	19915	5217	0	0	0	7988	10338	0	7696	6184	9968	7407	7936	0	6175	7780	4509	5552	7441	4959	4079	8099	3060	6484	4192	6315	7615	5703	48426	26833	48694	4935	4856	4001	4047	5160	0	4752	8612	6736	6924	5151	5747	16149	9182	0	9508	4984	6960	6992	6787	5561	10072	6891	4747	0	8377	9743	7489	7372	8723	7608	5222	8343	3469	5455	6891	0	7169	3285	Phytochemical	0.21875	1.0625	0.0
22	C32 H34 O7	531.23773	531.23846	9.73854E-4	531.23773	3572	5173	4420	5935	2622	2498	1876	6307	5196	5158	6024	2117	5112	0	4114	5293	5418	4809	5336	7328	5228	4988	5578	4486	4328	33161	3209	7676	3778	1768	5300	0	4072	4870	9671	3805	2655	3223	4272	9180	11531	1631	0	0	0	3006	6172	0	4500	3519	6471	6572	5215	0	2243	3368	3814	2840	3390	4888	4441	4259	2796	2872	0	3693	3640	5260	21466	20176	29639	0	2740	4432	2743	4759	0	0	7391	3000	3120	3337	3871	6520	3666	3579	6023	3886	5871	6366	7249	6664	7403	2783	4868	0	4367	5605	4917	3994	3532	3821	3908	5260	3920	5116	4473	0	3419	0	Phytochemical	0.21875	1.0625	0.0
18	C29 H38 O9	531.25885	531.2596	0.085083306	531.2589	125455	116603	113569	101991	94860	59882	91435	115784	91274	112270	94539	81296	92527	54527	105131	129767	137507	77824	105728	134559	134088	82228	105354	129287	82359	144870	98721	79755	110724	104887	103648	120700	125830	92654	113799	115104	101875	97758	155622	87506	108900	65863	2015	295	0	76944	85922	0	120349	90548	114853	121057	75174	0	114821	104484	65009	134777	76783	86262	107945	63390	115028	92049	59978	87371	68703	172989	116192	154029	206377	64586	78136	107052	122177	129800	0	79169	169247	65646	130674	69650	92062	62326	133917	79881	149955	55684	73667	168456	102985	114655	133442	65973	75353	535	119919	103451	84320	118460	136537	129808	73291	109931	52416	91957	97971	0	109957	88969	Phytochemical	0.31034482	1.3103448	0.0
26	C29 H38 O9	531.25885	531.25964	0.12557249	531.2589	111634	115590	110561	112994	137828	80241	41745	126641	138726	177786	121314	57808	177828	75083	103329	109105	63620	147580	176599	249881	221064	104868	97195	106082	99866	257550	46569	120387	118917	105216	97885	94106	117231	87394	254209	98828	134536	72776	64713	148453	102377	76230	0	0	0	109475	74377	0	109879	101777	109906	111462	98360	0	173339	148201	67617	108079	76599	44216	108600	90713	167104	133516	47423	118207	91271	73714	200820	355457	286742	99793	84675	90937	55732	88189	0	69587	115972	60723	97722	59205	69288	95836	144807	87916	107586	64720	73482	68919	109868	109253	141623	70512	106968	0	116380	130595	94492	155703	151858	111092	61819	121410	65678	71221	114511	0	71536	148804	Phytochemical	0.31034482	1.3103448	0.0
16	C29 H38 O9	531.25885	531.25964	0.07161064	531.2589	39357	34567	47140	45704	20479	18658	36244	48891	29428	34667	24396	30469	22716	13877	30506	48296	56288	21311	34279	45301	40553	30096	35727	43693	32763	39551	36790	24157	35736	37389	34129	40101	35025	18871	31510	46487	31489	39022	66266	23231	30109	22640	541	0	0	21366	24693	0	45214	42088	37744	39303	25845	0	36246	28554	24648	47200	26537	38653	40517	20547	32440	26717	22947	26059	19964	74613	30729	34575	40524	17785	26575	41266	50704	34590	0	27635	61677	21413	42715	18589	36073	17790	40767	21483	53656	16126	21434	75595	30072	31470	46226	18508	26376	0	34920	39817	20774	47795	50823	33383	25744	37737	16759	39453	34512	0	41802	26552	Phytochemical	0.31034482	1.3103448	0.0
20	C29 H38 O9	531.25885	531.2596	0.1288824	531.2589	262759	259115	245012	226506	240108	143854	175631	225689	235440	308064	237645	156428	260666	149907	225519	268550	224592	200291	279518	373268	347854	224464	215434	263541	187641	425892	174576	224468	215569	206109	193638	225742	272437	167673	355032	218862	250841	188483	242779	235102	250502	152423	4078	843	0	189334	188071	0	217327	207857	267179	249392	185345	686	320517	225492	143885	278857	183844	158052	248965	162539	281253	240802	136098	226825	156699	258494	317108	483580	532459	167316	177437	203070	220474	202668	0	164206	334803	152794	250698	120299	198114	255592	289115	161336	290466	140636	172768	254384	261417	245054	292760	143645	185845	933	250254	253985	191816	267364	300407	261526	150787	255069	131266	205719	234510	883	199160	249952	Phytochemical	0.31034482	1.3103448	0.0
28	C29 H38 O9	531.25885	531.2596	0.0737676	531.2589	27483	22794	25540	24730	39098	15281	12685	22430	28840	41757	27350	8911	45677	16962	16530	20556	16510	23462	37382	40213	43744	21700	19642	21110	16556	67229	11881	30462	17050	15302	17554	16225	24104	14014	49996	18662	24664	12926	15942	24104	26637	13403	0	0	0	16800	16682	0	19153	14765	22311	22612	20742	0	35785	33485	11433	21744	13975	7613	20183	14547	36193	25572	11717	35533	17540	12951	60513	78566	90225	14695	11356	13290	9385	13243	0	9921	31068	16141	20423	13450	12170	20055	34989	18282	27297	13017	13184	17267	26212	29724	22270	14280	15376	0	23389	19904	19733	38676	43334	24371	9187	22936	10542	18773	25557	0	13383	33877	Phytochemical	0.31034482	1.3103448	0.0
14	C29 H38 O9	531.25885	531.2597	0.15129	531.2589	11295	12239	9108	8141	6423	4093	14479	10613	7595	6217	5813	13686	3253	3257	13312	11087	22758	3237	4474	8186	5717	7139	9118	16068	11374	9237	15960	0	9088	13992	12448	9228	8423	2356	8647	12826	10445	14245	21317	4909	4238	6065	0	0	0	7275	0	0	12698	13954	11903	10008	4562	0	5710	6915	6231	11265	0	14143	0	1775	4837	6256	4330	5763	4565	22304	0	3234	8937	6006	7585	13936	17290	12563	0	9008	16921	0	12538	3439	8900	7397	5949	3363	18031	0	5214	27029	8274	7947	13832	3151	8360	0	10617	12033	4574	12480	12698	12763	9048	11663	0	10426	7692	0	9538	4983	Phytochemical	0.31034482	1.3103448	0.0
20	C28 H38 O8 N2	531.2701	531.27075	0.22186881	531.2702	3819	3643	7204	4300	2744	2711	7990	7914	2977	4248	2309	4174	0	3421	5667	17754	6904	2216	3396	6996	3784	8499	5151	9813	3409	3240	3103	2640	9166	10383	10053	8983	7548	7545	4798	10053	10488	4434	8482	10126	3719	3864	0	0	0	4432	4420	0	9180	9276	5318	7561	3188	0	4902	1822	1581	8236	5146	5342	6051	4198	0	0	3576	4006	5303	8543	1714	4677	2746	7623	6741	6602	12151	7534	0	5025	6280	4187	2927	3466	6811	0	0	2178	9013	2997	5023	12756	10965	14846	20136	2920	3906	0	4814	8151	1550	1305	1728	10330	4237	8987	3876	11215	1495	0	7481	2999	Lipid	0.2857143	1.3571428	0.071428575
26	C33 H38 O6	531.2741	531.27466	0.02271727	531.2741	4776	5591	5588	6363	4420	0	2919	0	4510	2948	9223	3457	0	0	0	9868	0	0	0	7042	0	3427	0	7121	0	28667	2825	9216	7785	8787	6425	0	6786	4942	3085	7852	6779	5543	4193	6211	8305	0	0	0	0	0	0	0	5412	0	5864	6441	3732	0	6112	0	4809	8779	4342	4329	7845	7029	2696	5118	0	2872	6800	7444	27303	9671	22106	0	4169	0	0	7648	0	3163	7040	7487	5788	4071	3754	10624	6170	0	10343	4812	3794	7237	4600	3455	6678	4136	0	0	4611	0	3586	9568	8942	8204	3888	7550	0	5268	5282	0	6053	2791	Phytochemical	0.18181819	1.1515151	0.0
8	C30 H42 O6 S1	531.27747	531.2785	0.22380066	531.2776	0	0	0	0	0	1010	0	0	0	0	1176	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36934	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1157	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43788	0	0	0	0	0	0	0	0	0	1114	13897	0	0	2425	971	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2	1.4	0.0
6	C30 H42 O6 S1	531.27747	531.2782	-0.26175886	531.27734	1574	1494	0	972	0	2375	0	0	0	0	1470	0	0	0	0	0	0	0	0	0	673	0	0	0	0	0	0	45576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	979	813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	125376	0	0	0	0	0	0	0	0	0	0	43159	21422	0	7284	0	0	1141	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2	1.4	0.0
4	C30 H42 O6 S1	531.27747	531.27844	-0.16440158	531.2774	523	0	0	0	0	1961	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	554	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	668	0	64191	0	0	0	0	0	0	0	0	0	0	29321	8843	0	3523	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2	1.4	0.0
2	C30 H42 O6 S1	531.27747	531.2783	-0.2421953	531.27734	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61658	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	550	0	0	0	0	0	0	0	0	0	0	0	0	0	34367	0	0	0	0	0	0	0	0	0	0	2382	1402	0	739	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2	1.4	0.0
20	C27 H38 O7 N4	531.2813	531.282	0.3027174	531.2815	7363	7013	6053	8527	3217	3041	11210	12331	8005	0	4782	10778	2681	3470	8627	5791	6144	1765	2204	4706	4607	25266	4208	12688	22228	7086	7847	4835	9861	16637	29402	9749	12027	4430	2684	6874	5322	7841	5259	2382	5246	2252	0	0	0	1769	5560	0	21841	5595	8268	8270	0	0	2945	1712	2875	11945	2846	4855	6781	4125	0	1481	1220	0	3350	4971	5057	7670	8945	22095	8355	10949	5717	10670	0	25183	3722	3494	5079	1580	3064	0	3874	3199	4731	2457	1767	9059	6866	6639	133283	0	5717	0	10176	9804	0	1940	3676	10550	15043	3586	1764	18490	4016	0	7602	3361	Peptide	0.25925925	1.4074074	0.14814815
26	C30 H42 O8	531.2952	531.296	0.122730464	531.2953	176076	171355	182465	170530	249317	114081	116020	185263	244710	176646	192060	91395	247059	134437	186663	180367	135235	213039	320378	308909	268692	148057	152903	186354	183032	316593	110452	208287	194390	181877	150847	163629	221176	129774	269745	196743	225764	139687	145702	220266	154376	136638	0	0	0	158812	113302	0	172766	160418	190604	172001	183033	0	330481	277222	125401	181404	164519	85912	185326	136532	242991	205390	88547	185661	157248	147410	283223	394545	301560	123277	132497	194375	109571	149423	0	126033	216322	129914	164479	101677	150668	167926	306181	173641	198167	105109	136404	132023	183061	211247	223815	131993	140602	0	176887	186538	171264	311210	304844	244189	101818	211164	115322	144077	243679	0	135604	207848	Lipid	0.26666668	1.4	0.0
18	C30 H42 O8	531.2952	531.296	0.10435712	531.2953	23890	18570	15165	19245	17765	9852	21674	13225	15095	7109	9036	13601	20757	12414	20513	23204	39126	11464	21940	10516	10376	9253	15071	18018	17117	9297	30262	9191	20084	17799	16163	15788	19613	10116	8891	21304	21160	25151	40802	4635	10062	7269	436	0	0	6305	11009	0	23927	19826	19129	18504	15455	0	23275	28956	17562	24188	15216	15899	19523	2744	22232	14409	10247	15157	15848	41975	11036	13631	23927	7617	8230	18527	37273	17841	0	11221	38000	7414	26611	7802	15212	5447	41307	20139	39363	8827	12146	37762	17283	19190	21006	5647	12588	0	19881	16150	20851	46951	47270	27004	16053	14477	7807	18359	24049	0	23496	16533	Lipid	0.26666668	1.4	0.0
24	C30 H42 O8	531.2952	531.29596	0.120456085	531.2953	269391	259739	254120	246353	366881	169388	192839	223544	317809	277710	264807	140368	307388	170209	201855	284207	202615	262391	422855	350247	325931	193956	210310	228067	210945	405281	188001	265929	233790	213281	190184	218005	289497	178852	336446	239346	318359	194008	235164	254342	208805	159635	4776	0	0	194529	170186	0	244668	198377	256716	254296	254926	0	424113	309685	177191	250257	200064	143203	255858	178392	333241	298745	150123	266574	204794	238844	305205	494907	442136	165029	174195	205635	167523	217449	0	168591	297402	175665	235083	126215	205728	198523	401904	259159	286740	146705	201723	250965	284168	281112	307989	177955	201571	0	253600	264942	229318	395125	417366	295495	144865	287300	138950	222970	330104	0	185627	291455	Lipid	0.26666668	1.4	0.0
22	C30 H42 O8	531.2952	531.29596	0.061918885	531.2953	174911	162193	168575	166863	214449	106916	140857	155179	200619	151634	139101	106832	164004	122896	137524	189737	191913	166889	229165	176907	167160	126650	151363	165429	145686	213726	136617	135257	139896	155448	135303	172248	188296	113574	175018	171512	172221	141589	203410	130548	129777	111327	3185	0	0	114967	105390	0	152369	142248	167247	170081	165650	305	235143	211835	128195	201154	121714	111895	181125	92497	214464	169061	107269	162679	132872	218617	164105	252201	247787	105015	108152	144183	156746	147573	0	108970	225454	106587	161430	86256	135969	102767	287177	163346	233330	106000	127798	188846	171391	192840	188462	106666	129883	0	171102	174474	157749	275847	267519	210300	112152	176742	85798	155856	233081	0	141074	173377	Lipid	0.26666668	1.4	0.0
28	C30 H42 O8	531.2952	531.29596	0.078127615	531.2953	35379	32986	39363	28418	45995	16147	33592	35435	43088	31371	30250	29694	51088	22663	24452	24709	26685	34897	62362	46127	38842	31503	29931	27897	37537	77610	25319	42835	36560	37151	32806	29706	40398	24125	50682	37504	43393	24574	29341	39768	27195	19562	0	0	0	24035	15734	0	32252	30821	31090	29668	36841	0	67908	55822	19933	35476	28502	12834	38010	25347	45220	41936	19579	44156	28458	32435	58463	62009	62341	18476	19046	31136	17888	29420	0	25899	46085	25779	30345	17898	32432	30626	68238	31139	53605	14559	23927	27368	35203	43613	38934	24269	22787	0	34461	32910	30433	77005	82418	47047	27279	42214	21651	27627	46830	0	26044	38548	Lipid	0.26666668	1.4	0.0
14	C23 H46 O13	531.30115	531.3021	0.3532208	531.30133	6964	7717	7536	7267	0	0	3659	0	1395	4852	22658	0	1341	2206	0	0	0	0	0	1785	0	0	0	0	0	0	9301	45506	0	0	0	0	0	0	0	0	0	0	0	6133	0	0	6858	442	338	4068	0	806	0	0	6238	8818	0	339	0	0	1277	0	163822	0	0	34297	4652	0	878	2916	2939	0	0	5732	2173	0	0	0	0	0	478	0	0	15721	1007	0	0	0	0	0	0	0	0	0	577907	449140	1977	10796	1607	0	8093	8352	1007	0	0	0	0	7117	445171	0	0	755	0	0	Lipid	0.5652174	2.0	0.0
10	C24 H42 O9 N4	531.3024	531.30273	0.2645246	531.3026	0	1535	2343	1322	0	3581	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25589	0	0	0	0	1499	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8544	0	0	0	0	0	0	0	0	0	0	208340	167420	0	2399	0	0	0	1778	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.75	0.16666667
12	C24 H42 O9 N4	531.3024	531.30304	0.39772832	531.3027	3273	3733	4164	3256	0	3087	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43702	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2072	1590	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	422769	597372	0	0	0	0	0	4813	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.75	0.16666667
4	C31 H46 O5 S1	531.31384	531.31445	-0.2871179	531.3137	0	0	0	0	0	1245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12796	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	494	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36657	0	0	0	0	0	0	0	0	0	0	25231	5525	0	874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.16129032	1.483871	0.0
2	C31 H46 O5 S1	531.31384	531.3143	-0.41066408	531.31366	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8735	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35644	0	0	0	0	0	0	0	0	0	0	30201	4964	0	1152	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.16129032	1.483871	0.0
6	C31 H46 O5 S1	531.31384	531.3145	-0.29548243	531.3137	0	1021	0	0	0	1807	0	0	0	0	930	0	0	0	0	995	0	0	0	0	0	0	0	0	0	0	0	34129	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	600	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	79450	0	0	0	0	0	0	0	0	0	0	50103	27973	0	4211	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.16129032	1.483871	0.0
24	C31 H46 O7	531.3316	531.3323	0.024813628	531.33167	42892	46676	45132	45785	68810	24571	61061	43890	64830	22019	30815	29352	53175	48467	43960	52003	57075	49266	89851	26968	29366	25834	37989	35586	45488	35826	59433	39278	49369	42664	36470	52327	53108	32605	28989	57865	60393	45619	67798	27144	25133	30231	0	0	0	22760	18497	0	52203	41224	51218	48040	51235	0	104395	73331	39631	56439	38218	24113	49720	20319	55284	56226	39811	42770	43205	61392	22165	30800	35636	14872	30097	44259	41594	48115	0	28012	66133	29359	42765	25312	51087	30111	95656	68899	80047	31452	40384	66027	56406	57012	56422	24142	27631	0	44138	45160	49983	96741	115625	77350	30190	45234	20274	42728	80990	0	44667	48854	Lipid	0.22580644	1.483871	0.0
26	C31 H46 O7	531.3316	531.3324	0.050251156	531.33167	75485	76406	71829	71944	112462	51763	90797	71874	111673	38155	61863	34042	82136	67788	82584	76738	67477	88626	160071	69844	55534	55585	50685	60799	98390	74376	85534	74678	91362	91823	58672	69806	103775	47389	57477	90663	104264	70722	64115	58454	39510	58524	0	0	0	49254	23710	0	64186	61855	76830	75342	85565	0	173155	131330	71824	86286	78780	31084	84075	42621	96986	90204	53008	79449	83349	78915	57057	69180	59231	43349	53340	78252	46271	66642	0	53102	86440	54656	59400	45285	87082	60408	173739	114896	112436	46193	70658	66858	89495	103564	94870	52851	39379	0	70312	85073	81406	156847	164344	131572	43321	95403	51533	58425	149111	0	72335	85591	Lipid	0.22580644	1.483871	0.0
22	C31 H46 O7	531.3316	531.33234	0.026632527	531.33167	13770	15915	17138	11067	16419	6291	21469	9603	17514	0	9263	9834	12413	13006	17430	22025	30336	10504	19622	4055	2523	4836	10276	5476	13521	4215	20522	5804	13223	13474	10081	15463	14680	8429	1792	12770	14491	13788	34194	2779	3619	7616	0	0	0	3762	4012	0	12837	12188	13514	17621	11433	0	29480	33416	15251	10911	10076	7448	12858	2714	11338	13264	14389	7842	15481	36639	5338	6332	7341	6397	10483	15267	19987	13538	0	9659	19498	6383	15080	4820	12737	6333	37329	21323	29005	7870	12317	24221	12394	14922	12956	4646	3709	0	13671	12411	17658	47059	51068	18039	8398	11077	3731	12220	28213	0	20430	10819	Lipid	0.22580644	1.483871	0.0
28	C31 H46 O7	531.3316	531.33234	0.06199883	531.33167	24860	21390	27145	25112	42249	14584	45640	23789	37216	11322	19229	10261	26328	19956	20208	19650	20144	26369	52217	25142	20369	18419	19542	18988	47515	31121	37311	29562	38498	26427	21994	26158	42581	16787	17820	33897	38789	25363	26975	19714	10310	20730	0	0	0	17442	7081	0	22536	20735	25719	24610	29843	0	65835	44306	19296	31240	32663	7674	25446	18922	27823	30609	16163	30903	28015	23512	22579	21045	14857	12753	19376	30486	8178	24102	0	17098	36380	23823	21229	15416	35151	25451	71934	39469	48022	12571	21230	22249	31562	36927	30252	22169	12153	0	27692	26550	28345	67259	87631	41692	10889	32555	20151	23285	61677	0	28981	23635	Lipid	0.22580644	1.483871	0.0
14	C30 H46 O6 N2	531.34283	531.3439	0.23802687	531.343	0	2015	0	0	0	0	0	36586	0	0	0	0	0	0	0	2574	6793	0	0	0	0	0	0	0	0	0	0	0	3851	5885	67145	0	0	0	0	0	0	0	5305	0	0	0	0	0	0	0	0	0	1748	11079	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2058	0	0	0	12306	1077	10183	1220	3496	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1850	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2	1.5333333	0.06666667
28	C32 H50 O6	531.36804	531.3686	0.08502182	531.36804	4637	2735	2731	2635	977	0	21277	0	2344	0	1903	1663	0	2747	0	2712	6708	0	2622	0	0	1229	2417	0	7048	2593	17052	4755	3778	4446	1237	5755	18735	1864	0	4909	8497	3073	7418	0	0	0	0	0	0	0	0	0	2950	0	1746	3996	1308	0	5048	5044	2838	6961	4461	1320	2855	0	0	1349	3218	1363	3941	20571	0	0	0	0	0	3692	0	2204	0	1563	3725	2911	1114	2152	2752	2415	6666	4145	10578	0	0	4720	4713	4732	0	877	0	0	3657	1954	1912	9853	14093	18642	2115	3665	0	2883	4663	0	4503	0	Lipid	0.1875	1.5625	0.0
26	C32 H50 O6	531.36804	531.3684	0.02149061	531.36804	0	0	3006	3610	2229	2636	30813	0	0	0	2728	0	0	6860	0	0	11291	0	0	0	0	0	5073	0	9830	0	26189	3595	0	6787	2942	4685	5137	2371	0	5797	3915	5339	13494	0	0	0	0	0	0	0	0	0	3838	0	4017	4598	2413	0	5639	6597	4815	3268	2486	3483	4296	0	0	0	3378	1702	6538	14459	0	0	0	0	0	0	0	4631	0	2946	5532	0	3661	0	6748	2475	6339	0	11365	0	0	8790	4743	4766	0	0	0	0	3168	5131	3356	11608	15505	6641	2785	0	0	3740	4602	0	9785	0	Lipid	0.1875	1.5625	0.0
28	C28 H54 O7 N2	531.4004	531.401	0.18507122	531.40045	4789	3714	4394	4556	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5850	4140	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	238609	0	0	0	0	0	0	0	0	0	0	651016	175068	0	18916	14518	0	5528	4529	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.25	1.9285715	0.071428575
20	C23 H17 O14 N1	532.0722	532.0731	0.25409007	532.0723	2976	3607	1712	3763	5334	3259	0	0	13643	0	0	0	24130	2297	1541	0	0	8043	10296	3429	5227	13018	3046	0	0	0	0	0	0	0	0	0	0	0	0	0	2107	1270	0	1196	4591	1903	0	0	0	5542	20279	1108	0	0	3297	0	6370	0	11707	7175	3131	0	0	0	0	1364	19940	13046	3496	12398	3611	0	0	0	0	0	0	0	0	0	0	0	5010	14381	2102	5988	0	0	13502	2907	2595	1571	4792	1831	0	0	5417	18249	11868	0	2882	7952	7867	11682	12877	2915	1512	0	10476	0	6879	0	0	11876	Phytochemical	0.6086956	0.73913044	0.04347826
26	C23 H17 O14 N1	532.0722	532.07294	0.17698078	532.07227	3916	3993	3659	5702	8041	6021	0	0	9827	3948	0	0	18388	2300	0	0	0	16106	13185	0	0	16618	0	0	0	0	0	0	0	0	0	0	0	0	3384	0	3044	0	0	2425	4245	0	0	0	0	0	18728	0	0	0	5959	3362	8018	0	16513	6824	3761	0	0	0	0	2922	21935	10727	2896	11389	0	0	0	0	0	0	0	0	0	0	0	0	2645	7238	4241	5012	0	0	12415	0	3181	2697	3056	2744	0	0	0	15059	13677	0	6347	0	5274	11133	11789	0	0	0	6074	1591	6289	0	0	20473	Phytochemical	0.6086956	0.73913044	0.04347826
22	C23 H17 O14 N1	532.0722	532.0732	0.31699225	532.0723	4054	7186	3112	5420	15882	14038	0	0	16858	3596	4496	0	37840	0	3960	2784	0	18980	18748	0	8326	17962	5394	3048	0	0	0	0	0	0	0	0	0	0	6006	0	0	2976	0	0	5180	4196	0	0	0	12742	37636	0	0	0	7462	6070	13944	564	35568	24004	6416	0	2162	2636	0	6042	30058	22091	7844	14068	7062	0	0	0	0	0	0	0	2186	0	916	3252	6164	14847	6094	16556	0	0	32810	14710	0	6426	5660	3474	0	0	3224	27768	19186	0	5540	11958	18126	12436	19370	0	0	0	31114	0	20804	0	0	42484	Phytochemical	0.6086956	0.73913044	0.04347826
28	C23 H17 O14 N1	532.0722	532.07294	0.20080525	532.07227	5972	4419	5626	4616	14018	8813	1946	0	15935	3731	1260	1328	36352	3960	0	0	0	23733	12770	4237	8535	12583	4114	0	0	0	0	0	0	0	1419	0	1796	0	9004	0	2024	1968	0	1949	4185	0	0	0	0	5836	14961	0	0	0	4564	5569	6891	0	15872	7820	2749	1645	1732	0	0	2893	29034	16401	2022	15891	2982	1433	0	0	0	0	0	0	0	0	0	1261	5731	7749	4475	4022	0	1441	12761	5803	3523	2936	3443	1789	0	1382	0	12197	12111	0	6158	4676	5807	11756	12235	0	1267	0	8011	1284	10454	0	1974	28082	Phytochemical	0.6086956	0.73913044	0.04347826
18	C23 H17 O14 N1	532.0722	532.07306	0.2844703	532.0723	3496	4632	1904	3066	8525	0	0	0	4632	0	2084	1241	11640	1283	0	0	0	8403	4850	0	0	14445	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1967	2944	1230	389	0	0	5823	13192	524	0	0	2049	1630	4617	0	5037	9339	2653	0	0	1030	0	2007	18040	9284	1373	10246	1667	0	0	0	0	0	0	0	0	0	0	0	3852	7061	1877	6741	0	0	8890	3790	2278	2486	3067	0	0	0	0	20871	9475	0	2745	3758	8332	7391	10860	0	0	0	6596	0	4944	0	0	11716	Phytochemical	0.6086956	0.73913044	0.04347826
24	C23 H17 O14 N1	532.0722	532.0731	0.34500208	532.0724	3566	3772	6237	3150	12040	3222	0	0	10792	3055	0	1055	21853	1772	2290	0	1281	17926	6961	3268	4447	10451	3431	1359	0	0	1345	0	0	0	0	0	1732	0	0	0	0	1971	0	1509	1899	0	0	0	0	4201	12212	0	0	0	6320	2525	5317	0	14752	8894	1804	0	0	1419	2024	2824	20401	10725	2858	10318	1005	0	0	0	0	0	0	0	0	0	0	0	4509	5974	2272	6745	1542	0	16528	4618	2932	3187	1969	2291	0	0	4212	13848	12487	0	3222	3235	3715	11039	9792	1807	0	0	8226	2252	6018	0	2288	17907	Phytochemical	0.6086956	0.73913044	0.04347826
20	C20 H21 O14 N1 S1	532.07556	532.0763	0.2294815	532.0757	2976	3607	1712	5299	5334	3259	0	0	15250	0	0	0	24130	2297	1541	0	0	8043	12794	3429	5227	13018	3046	0	0	0	0	0	0	0	0	0	0	0	0	0	2107	1270	0	1196	4591	1903	0	0	0	5542	20279	1108	0	0	3297	0	6370	0	11707	7175	3131	0	0	0	0	1364	19940	13046	3496	12398	3611	0	0	0	0	0	0	0	0	0	0	0	5010	16636	2102	7450	0	0	13502	2907	2595	1571	4792	1831	0	0	5417	19739	11868	0	2882	7952	7867	11682	12877	2915	1512	0	10476	0	6879	0	0	11876	Organosulfur	0.7	1.05	0.05
18	C20 H21 O14 N1 S1	532.07556	532.0768	0.031531274	532.07556	3496	4632	1904	3066	8525	0	0	0	4632	0	2084	1241	15291	1283	0	0	0	10885	4850	0	0	17095	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1967	2944	1230	389	0	0	5823	16428	524	0	0	2049	1630	4617	0	5037	9339	2653	0	0	1030	0	2007	18040	9284	1373	10246	1667	0	0	0	0	0	0	0	0	0	0	0	3852	7061	1877	6741	0	0	8890	3790	2278	2486	3067	0	0	0	0	23229	9475	0	2745	3758	8332	7391	10860	0	0	0	6596	0	4944	0	0	11716	Organosulfur	0.7	1.05	0.05
16	C24 H21 O13 N1	532.1086	532.10944	0.2669224	532.1087	18065	12323	13278	18428	27082	8411	2096	2903	27844	40970	20490	2395	52108	7647	5078	3618	2080	27664	22882	30600	48925	65871	6053	5394	2335	5801	0	6552	2442	0	1271	0	4399	0	60145	0	4958	3677	2030	24449	29891	7718	520	0	0	40736	49189	0	1910	0	16720	13799	15052	0	28711	26651	9954	3931	3787	4401	0	21060	54738	26711	7603	34180	9969	2821	11563	7841	14259	0	0	0	1641	0	0	2202	14999	38792	7081	27708	2372	7737	24368	13186	10154	7505	5138	0	3899	7161	0	58965	63267	0	12035	16426	20278	26524	27811	4774	3591	4093	33126	0	23246	0	3090	46419	Phytochemical	0.5416667	0.875	0.041666668
28	C24 H21 O13 N1	532.1086	532.1093	0.19204369	532.10864	5144	3823	4809	5061	6587	4861	0	0	9393	15676	2140	858	17260	2938	0	0	0	12666	11564	8944	9186	13960	0	0	0	0	1242	0	0	0	0	0	1485	0	18867	0	2264	3171	0	5442	6242	0	0	0	0	6498	15034	0	0	0	6269	4100	4976	0	13327	6998	3078	1110	1348	0	2560	5210	18692	9539	2439	6432	2620	0	0	3761	5284	1112	0	0	0	0	0	0	5505	8301	3163	6833	1039	2926	8628	5377	4321	1529	2139	1375	1484	3350	2888	16430	21659	0	4132	5207	6857	5121	6942	0	0	0	8088	1285	6205	0	0	16990	Phytochemical	0.5416667	0.875	0.041666668
20	C24 H21 O13 N1	532.1086	532.1094	0.21253788	532.1087	15780	19523	15426	11975	19810	17764	2698	0	23318	32806	12673	2888	49956	9521	5535	5436	2263	35904	32938	27647	36213	56283	6744	3906	3665	3536	1392	2790	2548	2731	2915	2018	4515	0	44379	1940	5321	3868	0	20809	20519	6037	805	0	0	38346	50093	0	1552	0	11447	18922	11827	0	39600	24943	9697	5535	6389	3645	5902	16348	49923	23136	10768	30347	8361	0	10062	4493	9241	0	1646	1584	3120	0	0	1780	9913	43684	7483	34429	1782	14040	33974	17674	14349	6050	11623	7308	8269	6930	7433	54066	55466	0	18503	16714	25625	17092	28192	7682	2774	7313	44152	5238	22093	0	2445	48799	Phytochemical	0.5416667	0.875	0.041666668
12	C24 H21 O13 N1	532.1086	532.1097	0.2875883	532.1087	4340	4510	3398	2674	8797	1402	0	0	9529	12727	12461	1602	14393	1931	1064	0	2090	7465	7372	8326	14013	21427	3091	0	0	2021	0	0	0	0	0	0	0	0	28507	0	0	0	0	5555	15010	1731	0	0	0	12530	28221	0	0	0	2212	3740	3025	0	7475	9708	2471	0	0	0	0	8079	21055	12054	1811	10286	3534	0	0	4068	5729	0	0	0	1107	1217	0	1058	5816	0	2043	8370	0	3128	9283	3536	3544	2246	2003	0	0	0	3211	29421	15347	0	5373	5101	12134	12028	12833	2718	0	0	0	1494	5702	0	0	15593	Phytochemical	0.5416667	0.875	0.041666668
24	C24 H21 O13 N1	532.1086	532.10944	0.23358376	532.1087	4604	6101	7547	5049	9017	6902	0	0	9116	16868	3709	1631	26985	4316	1681	1346	0	17283	14493	10997	14049	24497	4855	1009	2527	1443	0	1574	0	0	0	0	0	0	20033	0	2218	1954	0	5855	9040	0	0	0	0	13402	23129	0	0	0	9334	3692	9995	0	14510	9483	4720	1409	964	0	1828	4939	18054	12125	2378	12070	3746	0	4133	3243	0	0	0	0	1899	0	0	0	7479	13339	4807	15713	863	3383	12873	6746	5557	1849	3198	2179	0	2321	3892	27229	36625	0	7315	4772	6688	8387	9926	1580	1112	0	18033	2450	7004	0	1044	19470	Phytochemical	0.5416667	0.875	0.041666668
18	C24 H21 O13 N1	532.1086	532.10944	0.25362295	532.1087	31714	43835	28394	41616	50670	19686	6712	8320	56470	87452	42118	6026	120456	15814	15084	10410	11545	75660	68898	67071	70648	135379	16730	9288	7158	5266	5732	9220	0	3902	5964	0	9364	0	115318	4396	18450	7694	6498	56673	42444	15272	850	0	0	89662	123176	0	3402	5162	37246	34400	31634	0	75228	62386	23874	6676	15322	9229	7814	50768	113012	57476	18922	52882	20747	2972	16128	19560	16038	4400	2752	3004	4509	0	0	3626	19580	84590	25552	78980	2342	21670	63194	34788	20236	17202	23342	7998	11670	20398	16434	122494	171938	0	32152	58055	49820	57014	67828	6912	4404	8954	78012	10830	51170	0	4218	96530	Phytochemical	0.5416667	0.875	0.041666668
26	C24 H21 O13 N1	532.1086	532.10944	0.17428544	532.10864	5787	6381	5236	3327	7152	6819	0	0	10419	18863	2222	0	16440	2568	0	0	0	19358	9353	11113	13154	19508	0	0	0	0	0	0	0	0	0	0	0	0	12754	0	0	0	0	3847	4903	0	0	0	0	9892	18027	0	0	0	5510	5804	5386	0	17292	13452	4084	0	0	0	0	3693	20765	9560	0	8330	3433	0	0	0	2741	0	0	0	0	0	0	0	5637	10755	2859	9309	0	3031	13741	6424	0	0	2321	0	1430	2312	0	17554	29872	0	7817	0	4044	8092	10203	0	0	0	13527	0	7262	0	0	20896	Phytochemical	0.5416667	0.875	0.041666668
22	C24 H21 O13 N1	532.1086	532.10944	0.1986382	532.10864	12041	6495	10629	8094	15086	12231	1367	1337	17433	26130	6548	1485	25014	6911	3131	2254	1733	23898	17277	14181	30430	34140	5078	3634	3985	2329	1408	2859	0	1570	1245	0	3223	0	29190	0	3737	2997	0	10684	12001	3959	0	0	0	26804	37577	0	0	1624	8443	11911	10922	321	24543	18999	5913	2455	3709	2152	2287	10827	30767	19668	6610	16049	7585	2267	5926	9047	6088	0	1564	0	0	0	332	1410	9219	24186	5916	24495	1878	5231	20991	13446	5782	5497	4862	3253	3001	0	3761	35137	45982	0	11437	8373	16609	12773	15714	3619	2485	2827	29803	2278	13493	0	2596	32089	Phytochemical	0.5416667	0.875	0.041666668
28	C21 H25 O15 N1	532.1297	532.1304	0.09026461	532.12976	4065	2944	5802	5357	4086	5194	0	0	4637	4409	2609	1532	4932	1779	2285	0	0	6620	2753	10652	15921	7971	2878	0	0	0	0	0	0	0	1199	1501	1990	0	7919	0	1579	0	1151	4810	8335	0	0	0	0	38056	81033	0	0	0	4025	3995	3258	0	4710	0	1043	0	1929	1423	0	12124	3185	4702	1677	2703	2290	0	4744	2980	4723	0	0	0	0	1204	0	1521	0	7512	1181	31899	0	1563	2977	1885	0	1128	2426	0	0	2009	0	9644	0	0	4760	6559	5123	0	0	2230	1155	0	50759	0	3941	0	0	8501	Phytochemical	0.71428573	1.1904762	0.04761905
14	C21 H25 O15 N1	532.1297	532.1306	0.20185286	532.1298	18172	19123	19276	20232	35518	19318	3423	7753	48070	12430	13933	13204	89640	12327	15965	13972	14181	58394	57849	20155	35852	36824	28095	16301	4223	0	4782	0	4478	6963	5793	0	11421	4283	14148	6979	6799	12703	8585	16330	24838	26579	0	0	0	73029	206464	0	3632	8180	18969	20004	23552	0	58885	50853	18464	5355	12428	6818	0	19240	65653	44882	16162	45965	18640	7698	0	3297	5299	6006	8324	4122	9533	3469	0	11215	12421	68383	13269	65960	2383	4288	59186	23348	12061	17034	18275	9264	0	10813	11833	51974	28788	0	20531	31464	39547	36383	44504	22691	10388	7131	177399	11740	47099	0	4922	59394	Phytochemical	0.71428573	1.1904762	0.04761905
10	C21 H25 O15 N1	532.1297	532.1307	0.24528405	532.1298	14386	12870	9070	12852	29352	7734	5678	7766	36082	11522	12860	13244	59584	2662	5858	4900	12030	33014	41532	12900	27390	27298	12488	9648	2822	0	4052	0	4102	0	4924	3420	6454	2314	16798	4052	3750	9048	8588	6804	20266	17396	0	0	0	22144	98616	0	3654	7578	15500	9454	19356	0	43688	39074	14642	5826	0	8080	0	6840	58610	36676	15750	31328	18658	10046	0	0	6040	5358	8976	2278	8106	2726	0	6206	15050	30008	10132	28860	1928	0	58652	18910	9346	15906	9794	13682	0	3652	9054	32562	27528	0	12416	18388	32358	42910	48770	10982	6002	8782	58586	6816	37998	0	1720	47216	Phytochemical	0.71428573	1.1904762	0.04761905
26	C21 H25 O15 N1	532.1297	532.13055	0.080053344	532.12976	5750	3548	3435	0	3093	7069	0	0	4324	0	0	0	0	0	0	0	0	6913	4581	6826	14046	7252	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2099	0	0	4308	8020	0	0	0	0	35414	89051	0	0	0	2941	0	0	0	0	0	0	0	0	0	0	7254	4341	0	0	3909	0	0	0	3369	0	0	0	0	0	0	0	0	0	8095	0	31489	0	0	0	0	0	0	0	0	0	0	0	8620	0	0	0	0	3356	0	0	0	0	0	58433	2888	0	0	0	9325	Phytochemical	0.71428573	1.1904762	0.04761905
12	C21 H25 O15 N1	532.1297	532.1307	0.2506298	532.1298	12232	11161	8556	15211	26650	14500	4119	6387	32055	9440	8047	11446	63329	7599	11550	4960	13754	42643	37480	13476	22590	30909	19084	9700	3959	2337	3173	0	5559	4403	3970	3071	7980	3829	15503	3868	9058	10540	11162	10137	23041	17763	437	0	0	33415	116727	0	3301	3127	13637	11213	15582	0	43145	39713	14458	0	0	12701	0	15011	59539	32811	12654	32587	12785	5806	0	0	5928	3221	4380	4218	8095	4300	0	7456	12403	22776	13000	38680	1251	4007	43157	16573	8316	11445	11789	9538	0	2340	9063	47148	23301	0	9792	20217	35642	33666	40926	14771	9280	5773	86309	10268	31593	0	2510	44837	Phytochemical	0.71428573	1.1904762	0.04761905
6	C17 H29 O14 N3 S1	532.1443	532.14404	-0.67211765	532.1439	2369	1895	1759	2071	861	561	0	0	1927	3753	3326	757	3164	0	0	7407	0	1212	2082	1214	2846	3073	953	2075	928	0	0	9785	0	0	708	0	1415	0	4548	0	0	634	0	1324	1991	0	0	0	0	0	3271	0	0	608	1805	1774	1101	0	1774	1305	405	5095	0	0	0	0	2672	0	0	792	672	0	0	0	0	637	0	0	0	0	0	608	1222	0	943	629	0	0	1648	1148	760	640	0	0	18942	47203	0	3167	1919	0	2017	1485	1283	1720	874	1071	0	0	0	3663	855	0	1204	3676	Organosulfur	0.8235294	1.7058823	0.1764706
18	C25 H25 O12 N1	532.14496	532.14575	0.16250893	532.145	43214	39456	42235	37360	39257	28289	7798	12749	41434	151430	55368	7237	71167	20578	21354	15497	5675	58928	55312	99928	93653	108750	30111	18078	15674	40607	5744	38640	10451	13633	8142	9558	14780	8930	188426	8306	25621	13167	5976	74804	43224	19573	1019	0	0	91083	93998	0	16672	14101	33528	38586	31152	0	64293	36445	16011	18164	17506	7637	20064	49967	78315	42926	19163	46742	20754	10851	35864	55036	53690	13325	10302	13201	14170	7268	0	8322	18352	64721	16574	67069	17351	45246	41849	25690	19259	13415	21714	13688	32032	47976	32774	80016	144108	0	36542	37560	36446	30933	28935	22208	8439	23003	66191	16839	32923	0	16469	74100	Phytochemical	0.48	1.0	0.04
10	C25 H25 O12 N1	532.14496	532.1459	0.20322815	532.1451	6678	9291	6168	3939	6429	2617	2038	2567	9608	39877	15704	2829	16397	2703	3071	2991	3872	7523	7577	16891	24809	20601	3969	4470	1306	4951	0	5959	1720	2641	1746	2581	2607	1840	41015	1172	2469	2328	3339	13796	20695	3509	0	0	0	14522	21276	0	1221	2998	6569	5667	4116	0	9358	6021	2471	4693	2391	4143	0	10304	12910	6094	2917	8680	4026	2694	8384	9697	16489	2801	1674	2247	1788	2390	0	1848	4113	11326	3605	7872	2447	7104	7571	4013	3022	2518	3327	5081	0	3243	5863	16823	18776	0	5503	4576	4332	9061	7046	2745	2369	4266	0	3161	6133	0	3305	11256	Phytochemical	0.48	1.0	0.04
20	C25 H25 O12 N1	532.14496	532.14575	0.16580069	532.145	32513	23138	27097	27444	32959	23490	6219	11613	47280	117150	40189	8901	72902	19927	12421	12014	5911	44724	45604	83434	83057	67003	15507	17573	13305	37776	6030	23977	13735	8314	11848	9819	13329	7910	133343	8312	16463	13195	6244	51503	33647	11860	1514	0	0	81029	67921	0	11121	8516	24333	33090	22890	0	60771	34593	12559	12374	20413	5565	13963	43140	61863	38587	14475	38625	15013	5488	29947	49458	39460	7623	4894	5202	5020	9702	0	9440	22859	52696	11524	48957	12598	36247	42238	25435	17625	12768	20835	6881	19539	30337	23493	67219	91436	0	25463	37332	36215	30503	29723	10244	6455	15971	87940	11922	31056	0	13430	59941	Phytochemical	0.48	1.0	0.04
26	C25 H25 O12 N1	532.14496	532.14575	0.13906775	532.145	5619	5000	2633	4004	6017	3663	0	0	6189	17436	3723	0	13798	4346	0	0	0	12300	10632	15970	12631	14642	0	0	0	4976	0	0	0	0	0	0	0	0	18454	0	0	0	0	6848	8030	0	0	0	0	13876	18066	0	0	0	7104	4795	5906	0	12081	0	2794	0	0	0	0	5839	16404	7213	2445	6807	3479	0	5345	9998	12398	0	0	0	0	0	0	0	4822	5696	0	8547	0	4299	8501	0	0	2720	3743	0	2002	3596	0	13352	28378	0	2735	5110	3198	4031	0	0	0	0	9123	0	0	0	0	14835	Phytochemical	0.48	1.0	0.04
22	C25 H25 O12 N1	532.14496	532.14575	0.19894662	532.1451	17593	15127	13053	14283	20390	13922	4224	4227	28109	55862	24479	3517	35508	6737	5610	6941	2672	24724	26267	39533	44374	46446	8222	4509	7580	18856	2339	13793	4366	3706	2756	0	4678	2755	60478	3332	7643	6321	2812	30857	18427	7855	2694	0	0	46662	46134	0	3000	3547	10633	13278	15131	0	33071	23527	8176	7300	6033	0	6279	23111	35193	16754	8614	21263	7701	0	15718	30007	27119	3016	0	2288	2482	2328	0	2261	11771	21467	7109	38116	6358	19054	29014	15278	10509	5784	7087	0	9303	7372	12410	35298	64163	0	18584	15521	18161	14070	20094	6627	2615	4151	42545	4562	18094	0	5610	40145	Phytochemical	0.48	1.0	0.04
24	C25 H25 O12 N1	532.14496	532.14575	0.19538224	532.1451	7169	6260	8799	5689	12810	5875	0	1481	11278	28243	9849	1371	30983	4916	2936	3370	0	14088	13961	20056	18248	21903	4440	3308	2703	10736	1722	3828	1697	0	1522	1685	0	1489	28523	1156	2330	3436	0	14293	7836	3241	0	0	0	25056	32839	0	1469	0	10165	5603	7455	0	14201	11224	4225	2286	3432	2143	2735	9613	18302	11787	2729	10769	2532	2377	7767	15696	13174	1398	961	0	1258	0	0	869	7710	13744	4428	19580	1609	5628	10228	7169	4271	1941	2280	1828	2961	6719	3110	24025	33181	0	7464	10496	8747	8893	12145	1759	1194	3684	17377	1796	13064	0	1644	21119	Phytochemical	0.48	1.0	0.04
8	C24 H25 O11 N3	532.1562	532.1572	0.26478583	532.1563	30558	27336	27795	28962	21783	10494	10566	21549	20928	38328	27132	9396	53568	4731	11337	26076	18561	17664	23547	26274	33924	46341	14538	24456	4002	5376	12411	0	19911	14870	12423	11988	20103	16020	51603	10641	21135	11373	26151	33741	38913	7947	0	0	0	35412	68262	0	18990	14610	27516	26970	17592	0	26004	22059	7506	19748	13536	19881	20433	21036	38868	33021	8532	21486	10785	18840	11955	14382	25821	10377	14754	16035	9882	11130	0	6618	17724	18123	13812	26973	12858	16740	25452	0	18372	17550	10899	42753	0	0	47172	28545	30570	0	28260	22401	11505	20547	28956	21030	11163	30585	24546	22262	17853	0	11703	27963	Phytochemical	0.45833334	1.0416666	0.125
12	C22 H29 O14 N1	532.1661	532.167	0.17251907	532.1662	30105	35821	31077	36511	32000	24660	26155	44822	51690	37568	28014	26093	69714	14129	37553	30068	38672	65218	66629	66684	73328	70907	43234	41583	16555	12164	14102	12410	38638	33737	28529	23608	38683	21290	64062	34817	28865	30325	27591	46588	46558	29529	0	0	0	122001	230929	0	25196	33418	35318	33878	30007	0	73241	41944	21897	26202	39216	27545	41678	40454	63151	43655	19094	43459	27931	32937	23095	17932	22720	29113	25138	33766	22516	23765	0	30445	30564	64909	32775	93974	20940	17942	51038	30273	32593	18089	29552	31300	10986	25623	41264	71575	66517	0	39390	60636	55401	32631	47454	38086	28303	35902	197512	25264	46246	0	16354	61846	Phytochemical	0.6363636	1.3181819	0.045454547
28	C22 H29 O14 N1	532.1661	532.1669	0.22032781	532.1662	3284	3125	3994	3038	2614	3554	0	3036	2637	9759	0	0	3426	0	0	0	0	4256	2985	11012	13202	4277	0	2275	0	0	0	0	0	0	2625	2733	1596	2048	8019	2162	1490	1431	0	7435	4066	0	0	0	0	30393	33449	0	1824	2299	2746	3327	2327	0	0	0	0	0	2379	0	0	6705	2684	1510	1046	1830	1951	0	3166	7070	4419	3249	2091	3037	0	1625	0	1255	1730	3942	1718	17663	1092	3245	0	0	0	0	2035	942	1155	2532	2971	5362	4667	0	3643	5365	1887	756	0	0	1526	2755	27440	1551	1702	0	0	4233	Phytochemical	0.6363636	1.3181819	0.045454547
14	C22 H29 O14 N1	532.1661	532.16693	0.1606878	532.16614	60254	71499	63148	63679	55515	58089	34701	71397	92446	77370	54509	42099	132617	26723	75973	60106	48789	118180	108533	121143	131040	117453	80647	62812	37402	19328	29617	19088	56575	59467	51993	44060	54867	41171	98111	61584	56867	47483	33251	67350	73320	58646	0	0	0	269912	359322	0	36308	67201	65158	61647	51338	0	145723	70062	34092	45495	85745	25838	62087	87764	111157	81953	37920	71831	45579	26423	51747	34546	37564	57649	44961	62845	41564	40694	0	50022	47745	106423	42274	188516	32314	35571	73908	61960	39664	37983	45085	25114	21357	39829	84650	100064	114832	411	63638	90595	70656	44578	67410	80130	41381	74272	386183	46615	74528	0	28831	97390	Phytochemical	0.6363636	1.3181819	0.045454547
8	C22 H29 O14 N1	532.1661	532.1673	0.4316791	532.1663	5240	8181	5049	6649	5197	3643	2168	5948	6726	7630	6182	4390	11768	1547	4344	8585	9568	9009	8566	9605	11786	10436	6943	8426	1219	1494	2737	0	4243	4600	3789	4912	5849	4179	9028	4224	5711	3500	8343	5649	6920	4339	0	0	0	7294	26027	0	5638	6572	8557	6496	3978	0	12790	7931	4677	2664	2890	7998	9681	3571	9201	6504	3252	5035	3656	7859	3329	0	2667	7343	4060	5115	5999	3842	0	3947	6739	7707	4562	5794	2418	2496	10319	4318	4966	4810	5079	9874	0	0	9160	6318	9825	0	5657	8488	6495	9626	11191	9075	3913	6846	10643	4745	6082	0	3120	9527	Phytochemical	0.6363636	1.3181819	0.045454547
10	C22 H29 O14 N1	532.1661	532.16705	0.21191785	532.1662	20253	14917	14996	15118	15431	10425	12026	17176	17176	17316	15827	12130	30294	5421	17241	19803	18728	27870	22598	23815	33859	28511	19404	19005	5271	4709	11374	5103	13898	17371	10892	12131	13253	13374	29004	15345	18281	13498	17340	14137	22628	12393	0	0	0	46608	92118	0	10791	22232	15285	16073	10902	0	24748	21098	10127	15042	19291	15211	20537	13366	26403	21454	11416	18926	13882	16895	10493	7910	12530	14872	12694	14559	18493	16158	0	11460	15781	14996	14556	27324	7607	7989	25546	14634	12008	9308	11191	12822	5600	10328	20693	22598	31711	0	20328	21756	16913	16060	19633	18700	13294	14334	78674	12483	24014	0	7969	27513	Phytochemical	0.6363636	1.3181819	0.045454547
20	C26 H29 O11 N1	532.18134	532.1821	0.1103525	532.1814	640406	655611	634649	439367	516801	455140	197411	396568	580722	3889171	872301	190616	833284	344226	329056	280952	157825	610972	701524	1158973	1210368	827816	372742	437548	272884	1091082	114068	697085	253447	324723	315914	375560	382595	246274	2138796	383373	382655	292833	154087	1001473	548910	305727	11102	0	0	909396	563291	0	356940	359108	518346	617087	394570	311	742748	546300	271540	404319	306417	174545	273134	600853	874281	649754	240110	703861	375180	205646	829837	3001770	1425306	329558	285812	306627	164191	267538	0	305230	494043	389254	430512	566157	317758	728459	678978	341078	427698	244984	270916	146402	426316	467499	520522	434995	671065	0	550037	575814	602615	456562	556447	344436	222440	394005	575569	435682	435551	0	304915	835749	Phytochemical	0.42307693	1.1153846	0.038461536
24	C26 H29 O11 N1	532.18134	532.18207	0.12110768	532.1814	14137	11577	12081	8753	13199	13261	3034	7080	16493	55323	20235	3503	30797	7116	5867	4785	0	20074	18539	29791	34134	19598	6866	6848	7331	34686	2318	11796	2362	3650	5002	5340	7455	2303	51324	4866	7781	5271	1960	27150	18674	6134	0	0	0	35135	28842	0	3738	5989	14197	14350	9464	0	22761	15129	5881	5515	4317	2512	3948	19404	29846	17076	3716	16836	5972	4448	27166	40601	34404	5582	3450	0	2970	2122	0	3362	6771	13366	8043	21385	4006	16718	21728	9542	7983	8170	5192	2519	9389	10141	11582	17334	38637	0	13464	12565	10755	10171	16431	4923	2885	6492	20612	6656	14641	0	4776	29238	Phytochemical	0.42307693	1.1153846	0.038461536
26	C26 H29 O11 N1	532.18134	532.18207	0.10535886	532.1814	6056	5681	7754	7231	10352	2860	0	0	8796	27191	6537	0	17157	2964	0	0	0	11822	12760	19689	22500	9206	0	0	0	13422	0	5562	0	0	0	0	2448	0	26382	0	2594	0	0	9494	9944	0	0	0	0	14517	13900	0	0	0	8695	6725	5271	0	10857	8210	3909	3922	0	0	0	9731	13889	9074	2574	10385	0	0	9004	25930	23865	3780	0	0	0	0	0	0	5671	0	0	7309	0	6712	8506	0	4375	0	2900	0	3251	2543	0	5799	17870	0	7061	8564	7599	6723	6245	0	0	0	7660	3861	4113	0	0	14296	Phytochemical	0.42307693	1.1153846	0.038461536
22	C26 H29 O11 N1	532.18134	532.18207	0.1080308	532.1814	31241	33471	27968	35595	27058	25175	8297	14421	38714	111489	47375	7730	49205	23597	14333	13885	6652	50717	36528	83366	73698	49243	20156	20600	15457	63164	5732	31227	12377	10605	12360	0	17193	12867	118163	7940	19460	16676	8491	61473	34898	10076	0	0	0	63179	54952	0	9868	12350	26774	30080	20726	0	43625	33101	9930	15758	14590	8958	15852	41867	47080	36614	13560	36041	16567	9643	55745	87534	72256	11907	7987	8281	5865	9084	0	12122	18187	23836	16543	44322	10473	35126	42367	18683	21001	13048	15584	12233	18342	25368	26694	36062	62330	0	36829	30258	23699	28325	27263	14960	5887	18741	46049	13022	25753	0	10530	53984	Phytochemical	0.42307693	1.1153846	0.038461536
12	C26 H29 O11 N1	532.18134	532.1822	0.10609132	532.1814	21943	15228	15201	20747	10515	8227	8155	11336	13815	60017	26473	10360	18534	5586	10045	15408	10297	14573	18382	54630	45344	37041	11778	17676	7852	27164	6942	17959	9833	7329	9991	8752	11756	9827	92983	12602	13773	11875	10939	34874	46762	8835	0	0	0	31117	24877	0	12646	13459	20380	16275	8206	0	17613	11594	6312	11107	7125	7099	0	25850	21508	12658	5618	16830	6108	9831	21213	35734	40489	10487	7901	10091	9301	8950	0	7472	9220	28631	9587	23168	10275	19953	13242	8003	11552	6147	7443	29522	9545	11979	12131	25735	23473	0	20173	21280	11405	11071	8718	10680	6985	18488	0	9228	8433	0	10773	20337	Phytochemical	0.42307693	1.1153846	0.038461536
8	C25 H29 O10 N3	532.19257	532.1935	0.13624312	532.1926	22519	16921	15316	16767	9161	8556	11836	20214	7358	22330	9256	14425	12413	3968	14723	21687	19208	10125	18227	20215	18616	31691	13806	26517	10666	3953	10199	6928	17049	13520	14388	18826	19840	16088	30598	15794	17220	9228	25651	23409	0	8263	0	0	0	20924	27564	0	23236	14065	15163	23548	10733	0	13549	9686	6965	20156	8462	18101	22544	13853	15714	11669	5673	12674	8960	27550	6379	9244	10840	14717	16415	10610	12417	14382	0	11626	20245	10271	13456	13664	10150	11247	10076	7529	19106	9823	9250	30303	14623	14778	37480	14040	21127	0	18980	17827	9622	12797	9422	20111	10268	22778	0	19346	8026	0	13275	12644	Phytochemical	0.4	1.16	0.12
12	C23 H33 O13 N1	532.20245	532.20337	0.12804484	532.2025	31379	28955	28167	23616	16561	17877	28708	44344	25025	39728	24972	24483	30508	7965	36327	33184	36561	31822	38662	57127	48005	36479	38072	47620	24397	19854	10956	0	48508	30561	37378	24574	31140	29440	54944	36643	24212	31551	26288	24584	20918	17898	373	0	0	75541	62052	0	21476	32820	21302	25102	14604	0	42673	23661	13713	27081	38708	25146	34596	30215	32519	21899	12560	23114	20846	26528	16631	24551	21561	29245	32647	37704	25993	22260	0	28911	30625	0	30573	38889	21576	22832	28518	20269	26535	11311	18802	18960	11473	25137	36963	26635	23056	0	27688	39501	25293	15739	21943	31283	23733	37758	67992	21889	22115	0	20887	24107	Lipid	0.5652174	1.4347826	0.04347826
18	C23 H33 O13 N1	532.20245	532.2032	0.049420632	532.2025	112933	90956	108749	100370	78717	88867	52014	143189	114148	181673	65337	50883	174617	38723	145117	74646	37561	159418	157749	213890	171629	147248	113758	118791	128277	44395	47217	40917	149486	114847	110784	94052	109656	97967	188800	111764	123731	82291	33520	147846	37982	68355	2357	297	312	311170	143814	0	98056	111998	102673	101793	74424	0	237838	70481	46629	75187	136761	27887	94251	108259	139136	114650	42863	91309	75219	31884	42707	100319	43170	105299	93178	140230	48241	83057	0	83474	69669	68720	78609	158680	60654	61225	91216	84197	47703	44745	70378	26304	72190	122660	139664	69279	115237	601	117769	129918	76734	46985	53272	108171	66044	126189	184517	85782	70861	0	62155	147280	Lipid	0.5652174	1.4347826	0.04347826
10	C23 H33 O13 N1	532.20245	532.2034	0.24355869	532.2026	13505	12916	15559	10313	4464	6142	10294	18595	8975	15192	10402	11292	17815	2276	12808	16014	13966	9976	14167	17274	22048	17873	15536	22602	9556	7569	8131	0	17903	18458	17252	16043	15167	12712	18844	19483	17296	8508	12148	10996	12310	8359	0	0	0	25284	27906	0	15182	16215	14331	12667	7620	0	13900	8029	4312	14271	12308	7425	20737	9446	9818	14294	5573	7069	7484	13683	0	8324	7343	17260	16448	20917	9146	15644	0	12186	10796	6021	12595	12887	11992	5761	12862	10263	12563	6178	6515	9287	10146	12482	20330	8946	12935	0	12449	16077	6880	7336	10381	18840	9655	17663	0	12795	7703	0	9744	12568	Lipid	0.5652174	1.4347826	0.04347826
16	C23 H33 O13 N1	532.20245	532.20325	0.07322808	532.2025	117437	93451	111571	105705	71530	80483	67623	165005	117730	166010	72519	59091	154952	35499	147393	103906	53988	166126	163562	212519	189043	138661	131155	138091	124688	51804	44215	50507	141191	124418	113336	106783	123126	85456	211660	128312	128902	92455	33929	135865	49458	70653	2183	0	0	307838	189290	0	110204	120682	95092	102881	75023	366	193875	78738	49455	93501	144954	40797	144963	106442	111318	102582	41458	93340	78634	33781	57990	93077	47544	114780	113364	143276	67226	95601	0	91304	80588	84051	70481	167223	72504	74116	99738	74201	72621	46794	65890	31903	61325	111703	153121	74456	132234	658	107907	144508	70413	53590	64709	120530	68423	148119	217850	103339	82166	0	74046	120017	Lipid	0.5652174	1.4347826	0.04347826
26	C27 H33 O10 N1	532.2177	532.21844	0.08355068	532.2178	11020	12679	13220	11860	10351	8730	2085	0	13147	27198	16056	3775	23403	6549	0	0	0	16604	14221	23493	40397	11837	9596	8205	0	34686	2287	10485	5370	0	5119	0	6941	5952	30295	0	7761	4697	4239	20110	15553	0	0	0	0	11749	16218	0	8128	0	11065	10593	7004	0	15881	9777	5033	6836	5501	0	10096	10396	18661	12878	4603	12088	6716	3023	32866	44125	45190	6108	5168	0	0	2889	0	0	7751	0	6688	7078	3521	14217	16527	0	6823	7066	7430	4438	7668	8792	8421	6956	11700	0	12382	11736	9275	12061	6815	8109	0	0	8350	4544	9603	0	3977	16924	Phytochemical	0.37037036	1.2222222	0.037037037
24	C27 H33 O10 N1	532.2177	532.21844	0.104789265	532.2178	28850	26629	26147	29623	29675	25188	6622	19334	29696	83885	39186	10676	51510	19705	21045	21805	12548	32909	36737	78668	65984	30125	23682	21894	17033	77417	7163	35471	15787	12519	15242	15772	17277	15983	94326	13522	17910	9082	11856	54261	39690	16129	1751	0	0	41352	33977	0	15240	15952	29112	27865	17703	0	35636	33337	14507	17521	16168	9349	15307	32818	37983	27833	10772	33928	19845	12659	70157	99042	89795	19137	11576	11184	9355	11373	0	12012	27077	19077	20423	25079	12335	33827	35475	22820	41742	16619	16682	13274	23380	24519	30279	20740	44356	0	29508	30530	23783	23803	26263	18454	9342	21217	22855	15369	21682	0	14895	44489	Phytochemical	0.37037036	1.2222222	0.037037037
22	C27 H33 O10 N1	532.2177	532.21844	0.10828098	532.2178	63403	67233	64601	54050	62298	46636	22231	52813	67239	167463	90923	23730	79925	39751	42132	45794	24970	86127	69582	157804	148492	81277	50741	64335	44967	147581	18601	81927	49567	39200	35003	36426	47014	40535	189924	35393	52339	27200	25643	110070	70079	36545	0	0	0	91612	71925	0	39359	40924	59480	53929	41574	0	69301	58040	30695	49097	42122	21504	55500	76322	73723	56703	24274	65803	47675	23580	127918	186731	151855	45702	34481	29318	22633	33226	0	29777	39632	36512	42405	50735	33175	72967	63562	40910	47285	36794	38687	35603	56485	66000	83727	55785	84352	0	57608	66229	47360	58293	49550	52848	24826	61391	51878	48755	49877	0	37339	82472	Phytochemical	0.37037036	1.2222222	0.037037037
28	C27 H33 O10 N1	532.2177	532.2184	0.11045437	532.2178	6213	3553	4758	5259	6736	3859	0	2630	4224	12501	7921	1091	10731	3282	2293	4372	0	4467	7197	10264	9786	4976	0	6435	2559	11860	1247	7378	2910	0	1833	2079	2856	2125	14236	0	4001	2159	2073	6521	5282	0	0	0	0	5538	6221	0	3937	3266	5410	4470	4535	0	4766	4465	1881	3926	3246	1070	0	5476	6320	4147	1945	7623	1657	1923	14405	21180	21826	1962	1780	2594	0	1988	0	1433	3676	2169	2818	2419	2828	4274	5507	2970	3270	3161	2540	1911	4039	5300	4220	2532	5706	0	3987	4898	3581	4850	4313	3064	1279	2934	3021	4228	4342	0	1890	6436	Phytochemical	0.37037036	1.2222222	0.037037037
10	C27 H33 O10 N1	532.2177	532.2186	0.16334665	532.21783	10506	11841	7532	7492	3998	5829	3337	12561	5244	26054	12804	7210	5244	2308	4441	12309	10884	6348	5666	30650	26850	17703	7052	9180	9395	14536	5145	9286	6840	10752	7774	12202	8366	11637	42640	14750	14073	8304	9775	19790	14910	6421	0	0	0	13608	9651	0	9043	7469	12323	14566	4914	0	7238	4051	1833	11531	0	6123	0	8687	6656	5068	2236	7347	4411	10563	10651	20991	19743	6980	12460	7803	4948	9279	0	6522	7113	9193	6079	7727	5348	11435	6238	3696	9384	3682	4253	14505	10367	10125	33267	8940	16298	0	10709	12765	3367	4009	3029	10588	6179	10683	0	11237	3810	0	9586	7938	Phytochemical	0.37037036	1.2222222	0.037037037
12	C27 H33 O10 N1	532.2177	532.21857	0.11332672	532.2178	8557	8108	16643	12692	7499	7351	8166	11863	7899	37397	26663	6206	8830	4780	6763	12857	10744	5952	15801	45891	43655	21944	12483	14343	11430	17895	6197	17238	13489	9320	12314	12057	13617	11398	56791	8396	12976	7487	15327	26627	25035	7974	0	0	0	21238	16251	0	12781	9794	10503	14808	7186	0	11024	5713	3797	12981	6358	11279	0	16625	10053	10276	4668	7861	6205	18312	25081	37358	33749	13817	9799	8902	8163	11091	0	10376	10106	0	7317	9502	9425	20624	7968	4366	9700	5805	6269	29903	9684	15833	17368	17248	23993	0	15639	15447	4842	6364	7433	18752	7254	11954	0	11743	7185	0	11536	14549	Phytochemical	0.37037036	1.2222222	0.037037037
10	C26 H33 O9 N3	532.22894	532.22986	0.14670227	532.229	18315	17279	18902	13342	6329	7263	17828	23430	5593	12682	9829	11273	7218	2143	17596	19869	11677	6601	11509	15132	15679	35298	15292	26269	18688	5099	13691	5312	19958	14508	16764	17757	23488	15635	21449	19492	26433	12604	13870	22188	10073	9092	0	0	0	30053	15666	0	21110	13702	18584	22459	9634	0	7851	4450	5372	26487	12136	8631	21003	9991	4161	6764	5175	5917	6657	12986	0	7615	6557	15493	12020	13500	10319	10197	0	12312	21889	13502	17935	10890	13249	12092	4326	5281	20259	10456	8933	22012	24046	28799	47830	9649	16607	0	18758	17884	3283	4703	2322	16925	11914	27151	0	23844	3682	0	19837	5709	Phytochemical	0.34615386	1.2692307	0.115384616
8	C26 H33 O9 N3	532.22894	532.2299	0.20674789	532.22906	13133	14596	12860	13823	2717	5336	11108	16185	4452	7535	4001	9041	3743	0	11175	23203	8317	3528	9437	14938	10487	36468	12592	31813	20699	2158	6911	3600	13770	8976	13351	13793	14922	9885	16215	10730	13156	11274	11700	18018	10289	7239	0	0	0	21821	12226	0	14331	11482	14764	12689	5144	0	4311	3447	4679	21953	5609	4816	24555	9089	4440	6345	4211	4113	6518	13406	0	6166	3649	10423	12073	8643	7181	10044	0	11036	19064	13838	12154	8656	11056	8120	3359	4808	21126	6036	7009	39918	33055	32038	69294	18404	20683	0	14396	14815	4261	2047	4429	14991	6629	17269	0	28321	1774	0	20372	5553	Phytochemical	0.34615386	1.2692307	0.115384616
6	C26 H33 O9 N3	532.22894	532.23	0.18286085	532.22906	6329	5284	9090	4716	1994	3611	5001	8505	1569	4150	3030	3241	1501	1137	5312	10856	3830	2734	4797	6881	6729	20347	5485	17529	9689	1564	4554	0	6010	5306	4840	6379	9554	4961	8267	5959	8722	5010	7140	8889	5368	2576	0	0	0	10232	5834	0	6587	7175	7420	9172	2500	0	2602	1399	1661	14108	4078	1809	12381	3787	1344	3242	2156	2090	2515	4595	1851	3129	2933	6254	5448	4661	2690	3671	0	3921	8304	4601	5975	6280	5807	3929	1390	2014	10448	2725	3867	13472	11892	15672	38880	10500	12661	0	7734	7631	1060	1430	1704	6046	3732	9707	0	12514	1274	0	9853	3821	Phytochemical	0.34615386	1.2692307	0.115384616
16	C24 H37 O12 N1	532.23883	532.2396	0.06537303	532.2389	38395	44908	39749	46075	22673	30765	38785	78724	39966	60642	23520	31558	51583	12564	78491	59516	26556	55076	73632	75748	49506	43117	66828	80672	63982	17494	29446	26263	76265	74890	68131	60166	54328	45554	61342	74438	58009	43586	25207	36981	18997	33751	796	0	0	63499	33754	0	59047	75010	52943	39360	29578	0	77053	37918	21880	53916	59778	19574	46368	32593	43259	42498	21615	41508	40055	30311	14395	29024	12215	56458	58331	75611	38826	49954	0	50904	47809	19898	48172	32607	49449	29044	39131	32366	41698	29354	31741	29910	30769	61191	84892	21594	36998	0	52951	61460	28474	25684	39296	67430	35855	71828	37079	55700	31688	0	33206	52012	Lipid	0.5	1.5416666	0.041666668
18	C24 H37 O12 N1	532.23883	532.23956	0.034704678	532.2389	85427	68700	71164	74592	37099	54188	46548	130619	74531	102600	40791	37629	113689	25008	114697	79450	28840	96513	106872	132005	78128	80694	101837	100535	99884	27472	36746	31363	110553	92041	103360	85282	90399	79878	122792	95835	100453	70786	24586	73400	16398	46922	1300	311	0	112652	32828	0	83500	88544	77149	73435	57105	0	155465	53277	33965	80919	114110	18261	88772	53011	88406	80552	28767	61894	53734	30559	20708	54448	14987	91405	79598	120002	41530	84016	0	72743	57934	26553	55287	51147	61395	35044	57794	51013	50994	29173	51587	17443	71695	99765	116382	35828	50368	0	80763	88883	50124	31509	41814	97506	57295	102055	49758	72584	40241	0	55652	87729	Lipid	0.5	1.5416666	0.041666668
20	C24 H37 O12 N1	532.23883	532.23956	0.007797691	532.23883	59782	62516	67941	58504	44277	63737	32492	100016	77586	125760	28335	28994	106004	32266	106272	54182	13551	114853	105733	114357	85063	78314	74194	84011	96924	17960	19593	23071	102411	68959	70716	67038	86278	54397	138700	79905	92935	60156	12649	71947	12522	41266	827	0	0	93001	21775	0	72131	75009	64741	61265	44143	0	155697	37292	33471	60849	113029	10463	58509	44328	95036	75666	28566	56270	45483	18803	9174	47647	12592	74291	64702	81886	25576	53843	0	71068	39666	15880	40656	36019	43450	23065	39823	40139	39278	27732	44708	13250	56281	99556	121029	28487	45315	0	62162	77962	38139	27071	32382	71400	44053	84462	45745	55453	38246	0	39890	105109	Lipid	0.5	1.5416666	0.041666668
26	C28 H37 O9 N1	532.2541	532.2549	0.094638124	532.25415	23486	16927	24778	16524	31344	11022	7447	21674	21080	43142	27627	11473	31952	13024	10991	20283	11616	25617	28574	44103	51091	18491	17915	19758	9353	65485	4092	24253	14450	15848	13576	17994	19322	16856	53029	15942	23663	12237	8476	38948	29340	12346	0	0	0	21009	20766	0	15201	15814	24867	20416	18366	0	25100	23747	10703	18880	15526	6091	18501	20953	27102	19688	8475	20337	15866	12070	72754	90478	92769	17331	13139	10691	0	11063	0	7543	19490	11081	14009	11773	9275	24466	27939	13734	16046	8344	12988	14481	17498	21285	23290	15788	22923	0	21988	24246	13845	31309	21993	20504	10076	17124	12857	15865	15846	0	15838	23510	Lipid	0.32142857	1.3214285	0.035714287
28	C28 H37 O9 N1	532.2541	532.2549	0.12948838	532.25415	3758	5825	6263	5467	9675	3757	1961	4554	6348	10549	6418	1687	9879	3392	2380	3040	3422	4560	7807	12061	11997	4496	2439	5690	0	27654	2716	7732	4021	3221	3473	3105	4071	3144	11833	3932	5709	2038	2879	7674	7692	2221	0	0	0	5756	6062	0	3352	4507	4838	5324	4769	0	6554	5459	2167	3864	2122	1622	4238	4113	6001	3743	1936	7129	4082	2838	24343	30176	36671	2480	2832	2914	3071	2414	0	2449	6487	2930	2335	2964	3169	6867	7758	2670	4591	3512	4064	3904	4123	5580	4515	3998	3696	0	5632	5030	3199	5455	4474	4023	0	4975	0	4369	4852	0	1781	7151	Lipid	0.32142857	1.3214285	0.035714287
16	C28 H37 O9 N1	532.2541	532.25494	0.12399667	532.25415	21745	22496	24790	19697	11222	9613	14158	21002	10669	23015	18071	18178	11253	7587	20135	23628	20413	11339	16909	40935	41709	26489	18163	25761	20049	37457	16226	17284	19409	23213	24641	21875	25127	17733	33335	24076	23003	12010	26590	23208	29631	10384	0	0	0	17283	13083	0	28875	25005	25624	14105	14862	0	10430	8736	6965	26421	9607	20056	27562	14353	12312	6804	10710	9816	10349	21901	32727	41294	43066	19089	17187	16512	22061	20922	0	14474	18510	10022	13375	12325	16073	16474	11210	7566	23206	11520	10779	29422	25799	22011	32275	16934	15103	0	18469	19370	5985	11579	6471	26830	12865	24591	11895	20310	8776	0	22545	8772	Lipid	0.32142857	1.3214285	0.035714287
24	C28 H37 O9 N1	532.2541	532.2548	0.08232225	532.25415	65162	59205	59376	58760	73687	43783	21709	50615	60574	116589	70993	25866	86022	53930	38204	59621	31814	64712	88081	127550	128724	54230	49777	54578	40891	169278	20871	70433	52341	35689	33383	44588	53825	45526	140273	54356	62420	29736	29438	90768	63505	33570	0	0	0	75281	46429	0	45278	35087	58498	54837	54626	0	71736	57374	28930	54399	40489	22000	63455	56724	65469	49154	20470	58456	45998	29435	145313	217729	189625	53397	41726	39203	23222	35280	0	34619	51292	29443	81220	38503	37429	57899	69714	41086	44349	32154	39850	36029	54299	60864	64427	38549	58340	0	58852	65732	37626	51682	58569	55810	25930	65056	44946	47202	41727	0	30012	69833	Lipid	0.32142857	1.3214285	0.035714287
18	C28 H37 O9 N1	532.2541	532.2549	0.070694335	532.25415	45591	41097	40165	45871	28672	20501	34248	50537	30584	55231	37810	29730	29539	20672	34749	67924	50717	38389	46343	86976	85895	47119	40607	60954	37072	87941	35187	43863	52591	42610	36879	48894	51649	43845	62847	50616	51955	30185	41204	60841	47121	27633	659	0	705	41325	41223	0	50745	43929	46728	45056	29986	0	33605	24699	21034	52205	30950	32176	55359	31881	23329	25040	17933	27520	25918	51310	65949	95486	101603	39019	36159	40694	45773	47813	0	24956	44885	35581	33605	23844	34273	39474	33733	26066	47338	24979	33889	67804	50653	51927	79829	29272	42295	0	43240	43031	22354	21125	32327	53661	27883	58135	22081	41900	22587	350	33227	31679	Lipid	0.32142857	1.3214285	0.035714287
22	C28 H37 O9 N1	532.2541	532.2548	0.0883953	532.25415	732758	739422	700086	689532	741708	464718	430994	698518	695256	1195776	825090	414422	761092	473920	612368	726610	456098	726638	780324	1384612	1299684	655036	636634	735342	595013	1529832	375794	1266892	606450	586945	979646	580558	1251413	563318	1319270	629888	695696	480794	519394	870064	689926	444664	0	0	1227	630123	503888	0	644938	980650	732883	1321396	605596	1842	1615072	1185254	415770	715834	519986	362136	746351	1003288	848896	1180660	317790	705988	451098	509702	1207842	1892816	1682480	566854	503112	500186	474182	595130	0	487924	777654	380204	661746	413196	482300	597478	795318	500392	757696	406798	470528	567656	732660	785520	848148	385572	629542	0	680888	687210	549540	1340728	714892	764091	448262	719260	432946	668200	648098	0	507296	907116	Lipid	0.32142857	1.3214285	0.035714287
10	C22 H37 O10 N5	532.2613	532.2622	0.26915327	532.2615	1845	3500	3403	1541	0	0	0	0	0	1701	9117	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2006	1957	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	146246	0	0	0	0	0	0	0	0	0	0	293528	90686	0	29636	5404	0	2359	1831	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.6818181	0.22727273
8	C22 H37 O10 N5	532.2613	532.26215	0.20033024	532.2614	11649	10118	8196	10881	0	3276	758	0	0	2950	24773	0	904	0	0	0	0	1018	0	0	0	1493	0	0	0	0	0	135163	0	0	0	0	1031	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11319	9463	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	980	0	0	0	0	0	344933	0	0	0	0	0	0	0	0	0	0	942282	356618	0	73455	25839	0	8328	10255	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.6818181	0.22727273
12	C22 H37 O10 N5	532.2613	532.26135	0.34676182	532.2615	0	0	0	0	1176	0	0	0	1234	0	0	0	0	1038	0	0	0	0	0	0	0	0	0	0	0	0	0	18117	0	0	948	0	0	0	0	0	0	0	0	0	0	0	274	0	0	0	0	0	0	0	0	0	0	0	0	0	1260	1414	0	0	0	0	0	0	739	0	1518	0	0	0	0	0	0	0	0	0	0	0	0	44050	0	0	0	0	0	0	0	0	0	0	57491	19251	0	6478	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.6818181	0.22727273
2	C22 H37 O10 N5	532.2613	532.2624	0.39517444	532.26154	825	0	0	912	0	0	0	578	0	0	0	517	0	0	0	0	1071	0	0	0	0	0	0	0	0	0	0	6896	613	579	0	656	1109	554	0	1155	795	0	599	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	679	0	0	0	0	0	263	0	436	0	695	0	0	0	509	1647	1008	0	639	0	0	0	40210	0	0	0	0	0	0	550	0	0	0	5646	1818	0	2517	0	0	760	0	0	0	0	730	0	0	0	665	0	0	0	0	Peptide	0.45454547	1.6818181	0.22727273
4	C22 H37 O10 N5	532.2613	532.26196	0.3981034	532.26154	1559	2270	2034	1460	0	4909	0	0	0	0	2615	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37219	0	0	0	0	919	0	0	0	590	0	0	0	0	0	0	0	0	0	0	0	0	0	2102	1393	0	0	0	0	0	0	0	0	0	0	0	0	0	345	0	0	0	0	0	0	0	0	0	0	0	362	0	181169	0	0	0	0	0	0	0	0	0	0	149752	44309	774	13147	2894	0	1282	2663	0	0	0	0	0	0	0	0	0	0	0	275	Peptide	0.45454547	1.6818181	0.22727273
6	C22 H37 O10 N5	532.2613	532.26215	0.2312866	532.2614	10953	9342	9495	9203	555	8548	0	1131	0	8726	25309	0	710	590	0	0	0	784	0	0	0	0	0	0	714	0	611	139002	751	0	0	891	1229	1118	1350	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9544	12113	784	0	0	0	0	868	0	0	0	0	732	0	497	0	0	0	0	0	0	0	0	0	0	0	0	0	530	394025	0	0	0	0	543	0	0	0	628	0	879583	269094	0	67811	21785	0	8110	10784	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.6818181	0.22727273
10	C27 H37 O8 N3	532.2653	532.26624	0.32597333	532.2655	3111	1861	2815	2860	0	0	941	5053	0	2519	0	2060	0	0	3669	4129	0	0	0	1536	1874	6515	3206	6116	11501	0	1882	0	4284	2120	0	1326	2719	2673	2704	3269	5404	3301	0	3289	1092	1418	0	0	0	2940	1440	0	1835	1930	2161	2481	669	0	0	0	812	3622	0	0	0	1620	0	0	744	0	1317	1301	0	0	0	2690	1170	0	1290	1927	0	1773	2860	0	2423	4522	2298	2322	0	905	2570	2053	1053	3489	0	12353	21712	2444	4489	0	2201	0	0	0	0	1888	1902	0	0	3494	0	0	6561	0	Lipid	0.2962963	1.3703704	0.11111111
20	C25 H41 O11 N1	532.2752	532.27594	0.032968592	532.27527	18071	24255	26534	20548	13358	14368	21294	34168	21611	21257	6439	12215	29884	9228	34684	18273	7564	32017	34947	17158	14585	16086	17176	29144	30498	1981	12200	7605	34177	27597	26435	28374	31603	18697	24162	28998	41406	22092	5692	12412	0	11224	0	0	0	15957	5092	0	26033	19860	17100	18665	15333	0	49235	14956	11085	21858	29629	2652	24044	8770	25758	23089	10823	20238	15902	8321	2536	7074	0	22403	24947	30413	9938	16247	0	20122	21289	5175	14533	4532	31870	11502	16401	15438	14894	7230	13938	9383	26956	30274	32379	4695	10160	0	20183	17886	11059	11772	14484	23055	15639	27280	10921	19494	14769	0	14826	27516	Lipid	0.44	1.64	0.04
22	C25 H41 O11 N1	532.2752	532.2759	0.065642856	532.27527	16845	16652	15271	15391	9035	14444	14583	20644	23086	28872	7498	4875	35867	7211	23926	10156	3452	34542	32512	17987	11655	16150	19595	14117	32046	1657	8300	5115	26883	16141	19807	23470	21510	18318	26272	19850	38325	14388	2958	10318	0	10566	0	0	0	12969	0	0	15321	16080	12219	18529	12036	0	45608	18079	7504	10776	29917	2830	17085	4404	23295	24593	5751	21582	13602	5450	0	8276	0	18644	11999	20988	4515	14109	0	17886	12442	3661	11156	2921	19868	6819	9193	11095	7994	6982	10632	4295	25165	34501	34357	3332	6790	0	12329	15216	9935	9411	7835	21381	8010	14662	4724	15245	8138	0	9023	33307	Lipid	0.44	1.64	0.04
12	C26 H37 O7 N5	532.27655	532.27655	0.10781423	532.2766	0	6512	0	0	6104	4452	0	6680	6716	8128	0	0	0	0	9072	0	0	5320	6512	0	0	0	5136	13488	4524	1108	6564	36076	7500	7116	8784	0	8888	0	6896	9768	6872	6136	10212	0	0	0	0	0	0	0	0	0	9684	0	5056	0	0	0	8212	3976	0	0	0	0	0	0	0	4336	0	0	5696	0	0	5724	0	10688	0	7516	0	3624	0	4088	6300	157560	6076	0	7308	0	0	3248	0	0	0	0	99274	50680	12064	0	0	0	0	0	5708	3492	0	8484	0	0	0	5784	0	0	4136	0	Peptide	0.26923078	1.4230769	0.1923077
24	C29 H41 O8 N1	532.29047	532.2914	0.07045332	532.2905	78674	67042	74149	66445	102257	56192	32536	72987	70071	96217	90402	35877	79813	45719	54994	82012	64410	79974	108198	144187	136117	56717	69544	88047	58271	236075	33695	92320	74040	69801	62786	65830	84951	73837	106085	154636	84613	47163	55099	103509	83057	52719	0	0	0	76227	59008	0	71834	71701	75820	154460	75102	0	95230	65107	40246	83157	55060	43128	93779	52054	141676	67513	35609	64237	59702	57944	180662	219181	225117	61464	64455	57883	51172	60500	0	46608	80166	41566	53660	46947	48462	70305	89641	55653	160358	51808	59170	56613	81728	87393	108583	42072	67763	0	72600	75041	110748	70938	70667	89052	38417	90587	38895	77503	76089	0	51431	84946	Lipid	0.27586207	1.4137931	0.03448276
26	C29 H41 O8 N1	532.29047	532.29126	0.10002927	532.2905	40536	33729	44026	40749	50560	27197	14004	51866	46240	51028	55580	17721	57097	34559	31793	44284	30361	39111	53656	79671	70458	32868	25055	47262	42389	134696	14157	51129	36933	36484	32155	34080	41257	43172	55659	42491	45810	21639	23250	55777	39328	26168	0	0	0	42546	28063	0	34877	37337	42247	38279	38917	0	54792	54013	21017	46912	31027	18802	45712	36455	42614	38552	15977	40048	31931	28616	115799	122734	130038	35217	32903	30913	17032	32780	0	22561	42371	27039	31910	21484	26100	37848	50439	27902	42083	24714	29380	28414	40751	41905	47898	30170	33083	0	37298	40139	25746	53974	59101	51280	16279	51328	16281	32857	44910	0	23854	37724	Lipid	0.27586207	1.4137931	0.03448276
28	C29 H41 O8 N1	532.29047	532.29126	0.1070709	532.2905	30002	17542	23905	23766	34750	12587	31098	22691	31265	23244	26293	20630	36496	19639	18867	18844	14413	18636	48023	38388	37532	21589	17482	16388	23790	74449	20214	42481	30453	25147	19291	21664	27478	21577	39079	29952	33261	17535	20035	25051	24489	2318	3400	2898	0	25868	11990	2657	20436	21348	27317	25377	26560	0	51700	52399	16418	25017	22129	2830	23960	15262	43394	34044	7783	35951	20485	18701	56795	73542	74976	14899	13377	17264	9504	19222	0	19887	45671	20774	19765	11636	20232	25372	53187	21454	42606	10691	18056	20104	22643	34435	29822	22839	12483	2673	26840	28166	28793	72611	85260	41853	15710	29577	12651	22887	39521	3658	17178	24436	Lipid	0.27586207	1.4137931	0.03448276
16	C22 H45 O13 N1	532.2964	532.29724	0.21651247	532.2965	79424	71445	74462	75837	86717	73489	62037	35908	57663	53432	74739	67972	37275	132088	45711	30825	34955	30878	33959	29965	20854	38650	35518	29130	42707	53005	101058	84243	36408	39039	53057	52405	42929	51409	33326	35488	44864	66406	55045	55769	63072	40826	110467	138828	87061	43495	36613	140751	50512	37794	76501	63583	66807	79971	39940	37402	108246	38398	331561	76188	38973	135781	56455	54503	86427	91792	116563	50987	49957	57316	71969	51425	59925	36884	19862	60069	99594	62003	51649	65436	53779	67202	61048	58704	39418	74451	53822	63325	58463	63109	41635	51027	52545	54107	29769	108568	81724	50005	62549	46773	39979	24420	64641	53583	3017228	96148	58965	132852	61142	47354	Lipid	0.59090906	2.0454545	0.045454547
8	C23 H41 O9 N5	532.2977	532.29877	0.26901644	532.29785	15610	13514	12066	11943	0	15320	0	0	0	0	14732	0	0	0	0	0	0	1481	0	0	0	0	0	0	0	0	0	161217	0	0	0	0	3458	0	0	0	1874	0	0	0	0	1101	0	0	0	0	0	0	0	0	12435	13065	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	687630	0	0	0	0	3804	0	0	860	0	0	1126529	440392	0	62912	11457	0	14002	10591	0	710	0	0	0	0	0	0	0	0	0	0	Peptide	0.39130434	1.7826087	0.2173913
6	C23 H41 O9 N5	532.2977	532.2988	0.16832633	532.2978	6526	7102	6399	6821	0	12858	0	0	0	0	4647	0	0	0	0	0	0	0	0	0	0	666	0	0	0	0	0	72592	0	0	0	0	0	0	0	0	0	0	0	0	0	880	0	0	0	0	0	0	0	0	5406	6444	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1896	362579	0	0	0	0	0	0	1945	0	0	12341	519862	201902	3038	28052	4711	0	7159	6180	0	0	0	0	492	0	0	1206	0	0	1971	0	Peptide	0.39130434	1.7826087	0.2173913
10	C23 H41 O9 N5	532.2977	532.29846	0.22461982	532.29785	5773	7908	7936	6748	0	4959	0	0	0	0	8439	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	110414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6729	7670	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	343057	0	0	0	0	0	0	0	0	0	0	863730	274866	0	45253	6883	0	11107	5340	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.39130434	1.7826087	0.2173913
4	C23 H41 O9 N5	532.2977	532.2984	0.23481104	532.29785	455	1013	445	423	0	1721	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8318	0	0	0	0	459	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	272	0	0	0	0	0	45932	0	0	0	0	0	0	0	0	0	0	78789	26020	0	2172	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.39130434	1.7826087	0.2173913
20	C26 H45 O10 N1	532.31165	532.31226	0.024887681	532.31165	8548	6414	6563	4252	0	0	15906	20334	0	0	0	4304	1880	2149	3899	24773	5414	0	0	0	0	0	0	2728	3158	0	11625	0	26685	29977	14793	23029	5312	20502	0	22742	5791	3319	9073	0	0	4076	0	0	0	0	0	0	57010	7880	3969	6766	1214	0	1813	0	1314	22332	2257	0	16102	0	0	0	1228	0	3048	6488	0	0	0	16766	25814	18731	43350	23507	0	2500	0	0	0	1593	11812	0	0	2208	1803	0	5995	0	2562	0	2958	0	0	0	4803	3567	0	0	2435	6286	3635	0	0	1986	0	0	2460	1556	Lipid	0.3846154	1.7307693	0.038461536
16	C27 H41 O6 N5	532.313	532.3129	-0.017987598	532.3129	0	0	0	1811	0	0	1258	0	0	0	0	3049	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4106	3041	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	250	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12476	0	0	1188	0	0	0	0	0	0	0	161596	3853	0	0	0	0	0	0	0	0	0	0	2818	0	0	0	0	0	0	0	Peptide	0.22222222	1.5185186	0.18518518
26	C30 H45 O7 N1	532.3269	532.32764	0.04489553	532.3269	29722	29674	27707	29041	63626	21519	25380	32457	34280	22630	34436	16774	38934	24750	25364	36202	40648	30225	59015	47414	34765	20222	27627	40502	30410	81041	23319	37716	45877	41800	26549	33482	43955	30621	19040	46957	41935	23431	32438	37604	40381	28682	0	0	0	24622	16731	0	32814	31676	32181	24457	43191	0	51804	47587	19719	32660	26791	17731	37190	22571	27425	32043	12436	29068	28542	35196	62557	50323	56861	23972	28465	35182	22874	33594	0	25535	35182	29327	24343	19575	29460	34509	63970	33241	45694	20320	27783	29744	34003	44319	36957	32572	25080	0	33774	36119	34746	55314	65179	66769	17147	50896	17189	29884	54861	0	25802	25648	Lipid	0.23333333	1.5	0.03333333
22	C30 H45 O7 N1	532.3269	532.32764	0.08646468	532.3269	8541	8878	7459	10407	9368	3085	11023	6217	7210	6721	4440	6476	3654	6178	7619	12787	19119	6807	11412	7939	4140	3310	8257	8833	7593	11625	9533	4729	9998	13935	9416	13148	10120	8274	5058	11408	8831	5921	18669	3808	6054	9341	0	0	0	3457	7496	0	8144	12525	6544	9832	9428	0	5586	10126	4828	10666	3540	7215	14252	3062	3618	8301	4946	4820	5305	26336	12544	14232	12467	6856	10138	8393	14451	10408	0	4759	7516	4808	8008	3054	5831	5269	13559	8193	10201	6348	6766	13373	7980	5206	11287	1788	1968	0	7341	8740	8692	11605	9752	20845	7710	11637	3046	6637	14428	0	5249	6327	Lipid	0.23333333	1.5	0.03333333
16	C23 H49 O12 N1	532.33276	532.33356	0.1429596	532.3328	28078	30361	27161	28594	20529	23785	25052	16149	14426	30767	36144	20484	12529	18881	13384	14487	21450	12041	6658	20785	13763	28488	11847	13516	16031	15749	35078	33791	12975	13187	23743	22539	23329	18647	22275	14013	18213	21813	26606	31925	34410	13692	33533	44075	31287	36108	35967	42234	17989	14015	27589	32348	20213	28935	11588	13577	25789	27196	97718	33223	76359	38195	72640	23191	25015	34044	32445	24688	20036	51807	36911	17731	22559	16131	6143	22906	34241	20689	18978	53509	21725	27066	18853	18723	17199	17164	15101	26699	19951	35661	41126	28916	0	31148	17746	37444	28144	22910	24093	23735	13198	15368	24280	36421	531322	23247	14648	43075	19627	29341	Lipid	0.5217391	2.1304348	0.04347826
14	C23 H49 O12 N1	532.33276	532.33386	0.24783899	532.3329	3198	0	3710	4946	0	0	0	0	0	33754	28516	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1545	11364	0	0	0	0	0	0	3043	0	0	0	0	4185	0	0	0	0	0	2855	10398	0	0	0	2769	2733	0	381	0	0	0	0	178681	12785	0	14686	0	0	0	0	0	0	0	0	2298	0	0	0	0	0	0	0	0	25804	0	0	1203	0	0	0	0	0	0	0	5302	0	0	4733	1792	0	0	1759	0	0	0	0	0	28582	489019	0	0	0	0	0	Lipid	0.5217391	2.1304348	0.04347826
24	C27 H49 O9 N1	532.348	532.3481	0.18661042	532.3481	0	0	0	953	0	0	23186	0	0	0	0	0	0	1112	0	0	0	0	0	0	0	0	0	0	0	0	9432	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1212	2105	9842	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7406	2304	0	0	0	0	0	0	1641	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.33333334	1.8148148	0.037037037
26	C27 H49 O9 N1	532.348	532.34827	0.09890933	532.3481	0	0	0	0	0	0	25683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10756	2262	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2892	0	0	0	0	0	0	0	1695	0	0	0	0	0	0	0	0	0	0	0	0	0	6763	0	0	0	0	0	Lipid	0.33333334	1.8148148	0.037037037
20	C31 H46 O3 N3 Na1	532.35095	532.3519	0.39864933	532.3512	0	0	0	0	0	0	0	4509	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1651	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15549	3798	0	0	0	0	0	0	0	0	0	0	0	3076	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3063	0	0	0	0	0	1932	0	0	0	0	0	0	26507	0	0	0	0	0	0	Lipid	0.09677419	1.483871	0.09677419
24	C23 H16 O15	533.0562	533.0572	0.34233615	533.0564	4308	2509	3139	2223	11432	3924	0	0	14902	0	1386	0	22414	4299	1842	0	0	10713	7906	0	1649	5421	1528	0	0	0	0	0	0	0	0	0	0	0	2602	0	0	0	0	0	1539	0	0	0	0	2424	2900	0	0	0	4202	2705	4075	0	15890	13160	3990	0	0	0	0	2145	24602	10107	1981	15813	1132	1639	0	0	1489	0	0	0	0	0	0	0	5441	3910	4499	2488	930	0	18235	7483	1919	0	2342	0	0	0	1607	6689	6540	0	3612	3063	8741	13271	11898	1544	0	0	2198	0	12007	0	0	32760	Phytochemical	0.65217394	0.6956522	0.0
22	C24 H20 O14	533.0926	533.0935	0.32514545	533.0928	24702	26006	20694	25706	46148	28640	4450	3676	54364	29726	8622	5250	90338	18826	11570	2974	0	65716	36555	23138	25692	46313	7338	0	2818	3928	2280	5874	2678	0	0	0	8062	0	32252	0	4058	10090	0	12874	11878	7978	0	0	0	41296	58802	0	2852	0	16552	12596	21686	460	59486	60966	12146	0	4392	0	3696	12820	106217	43876	17600	55072	10204	3206	7562	3796	6456	3620	2556	0	0	0	800	2770	25876	43642	18746	40889	2532	4298	66564	25546	21406	5184	13038	0	5976	7998	4850	54024	52021	0	15510	14738	43016	67156	66606	3616	4366	5922	46410	2702	47688	0	7174	91270	Phytochemical	0.5833333	0.8333333	0.0
26	C24 H20 O14	533.0926	533.0935	0.3133593	533.0928	6232	5237	5853	5475	11243	5502	0	0	15169	9545	2507	0	34425	5080	0	0	0	16237	12386	5035	6292	12882	0	0	0	0	0	0	0	0	0	0	0	0	9387	0	0	0	0	3253	0	0	0	0	0	8219	12364	0	0	0	4492	6185	4510	0	15720	12107	0	0	0	0	0	3021	29497	10515	2858	13724	0	2154	0	3972	3917	0	0	0	0	0	0	0	7847	6833	7403	7434	0	0	18129	0	3033	0	3191	0	0	2357	0	10636	17519	0	4107	0	9185	13148	11197	0	0	0	6693	0	9377	0	0	25854	Phytochemical	0.5833333	0.8333333	0.0
16	C24 H20 O14	533.0926	533.0935	0.27445325	533.0927	27500	20497	18382	18110	48682	18631	2128	1707	47695	37329	20122	4954	71692	14317	9548	4277	0	35290	48621	17843	23618	61445	11919	4406	3372	0	4834	4501	0	1343	1122	0	6767	2708	45689	1539	7262	5009	2213	11152	19883	9499	1234	0	0	36048	46415	0	2638	1161	21159	16999	20041	0	45874	43005	14723	3923	4329	3751	0	12148	85458	46586	14875	54813	11954	3676	4944	2701	6858	1462	0	0	2998	0	0	4262	18947	40623	13688	34052	3229	5074	55067	17004	17250	6647	12542	0	0	6945	0	60372	43748	0	17350	22623	43285	65402	61315	3230	2873	2392	41669	0	41634	0	3430	70579	Phytochemical	0.5833333	0.8333333	0.0
24	C24 H20 O14	533.0926	533.0935	0.4450248	533.09283	2847	7848	6360	5086	13328	9425	0	0	17827	8429	3074	1091	40817	5653	3086	2042	0	17673	17911	8446	7143	14365	4693	2055	1358	1455	0	0	0	0	2144	0	1514	1524	11916	0	1909	3325	0	2451	5130	2519	0	0	0	10766	15846	0	0	0	8199	4516	9025	0	16396	19932	5508	0	1487	1532	1085	3331	34913	16289	2887	18900	3439	1504	2630	3807	1947	1223	0	0	0	0	0	1153	6655	4981	7425	11658	1260	3186	21806	9299	5666	2302	2931	0	2586	2117	0	14118	21661	0	5692	5196	10430	17933	15534	0	757	0	14196	0	13829	0	2325	34782	Phytochemical	0.5833333	0.8333333	0.0
28	C24 H20 O14	533.0926	533.0934	0.3276645	533.0928	4844	3613	4007	5030	8933	6665	1011	0	10952	8202	1628	0	25594	3760	2261	0	0	14391	11681	5747	5610	9479	3704	0	0	0	1161	0	0	0	919	0	1698	0	12858	0	0	1710	0	2898	2801	2354	0	0	0	6999	6613	0	0	0	4558	5127	6328	0	13191	11336	4632	0	1079	1314	0	2827	21221	9106	3863	14015	2833	0	0	3008	3136	0	0	0	0	0	0	0	5546	6499	5869	4749	0	1773	14598	6351	3276	1552	1127	956	1383	1605	0	8135	12764	0	5074	4815	8614	10402	12352	0	0	0	7936	0	6173	0	1279	19041	Phytochemical	0.5833333	0.8333333	0.0
12	C24 H20 O14	533.0926	533.09357	0.215844	533.0927	6636	7322	5833	4720	14335	4193	0	0	15335	10401	8201	1206	21367	2830	2393	1802	0	8121	11193	6594	7929	23554	3289	0	0	0	0	0	0	0	0	0	1711	0	18984	0	1511	3324	1768	1795	7381	3100	0	0	0	6592	18971	0	1894	0	7460	9681	6565	0	11207	17216	5185	1820	0	0	0	3335	36468	13325	6124	15926	3354	0	0	1703	5010	0	0	0	0	0	0	0	6174	0	5005	10656	0	1473	26341	5324	4033	4154	3436	0	0	0	3064	29089	12330	0	8712	4125	17900	25590	21328	0	0	0	0	1548	15874	0	0	23804	Phytochemical	0.5833333	0.8333333	0.0
14	C23 H20 O13 N2	533.1038	533.1049	0.29294252	533.10394	3384	2521	3883	0	5047	2019	0	0	6345	4460	4838	0	15688	0	1047	0	0	5256	5993	3501	8928	25106	1888	0	0	0	0	0	0	0	0	0	1904	0	10970	0	0	0	1746	4230	12097	2274	0	0	0	7159	25726	0	0	0	4370	4482	1978	0	10300	7050	2921	0	0	0	0	4372	23329	10147	1117	6855	2843	0	0	0	2084	0	0	0	0	0	0	0	1319	0	1927	10447	0	0	6372	0	2887	0	2390	0	0	0	0	13269	9374	0	0	3968	4521	9945	7816	0	1708	0	0	1275	5758	0	0	16698	Phytochemical	0.5652174	0.8695652	0.08695652
12	C23 H20 O13 N2	533.1038	533.10486	0.22995476	533.10394	6099	7361	0	12237	14163	0	0	0	20193	10244	2593	0	26622	788	2871	0	0	11967	14676	1669	15408	29850	3663	0	0	1730	4881	0	0	0	0	0	0	0	20562	0	0	0	0	7209	20949	0	0	0	0	19110	71658	0	0	0	0	6645	6276	0	22905	14046	4347	0	0	0	0	8184	44889	22491	4506	17282	6375	0	0	5357	1869	0	0	0	0	0	0	0	4053	0	0	21777	0	0	16122	0	0	8368	0	0	0	0	0	44286	22291	0	5568	0	13191	15957	22278	0	0	0	0	0	10479	0	0	35880	Phytochemical	0.5652174	0.8695652	0.08695652
18	C23 H20 O13 N2	533.1038	533.1048	0.28023162	533.10394	3164	4049	2297	3580	4148	2782	0	1648	6143	5941	1969	2200	16207	934	1572	0	0	6820	4790	3457	4486	13859	0	0	0	0	1151	0	0	0	0	0	2130	0	4697	0	0	0	2399	7475	6303	1158	0	0	0	9697	27586	0	0	0	4315	1708	3650	0	7673	6747	2974	0	0	1270	0	7188	13734	8060	1063	6512	2484	0	0	0	2792	0	0	0	0	0	0	0	1947	9322	3041	14574	0	0	6916	2192	2614	2324	0	3313	0	0	4840	13777	13944	0	0	4378	3465	3287	5738	0	0	0	17632	0	4231	0	0	13458	Phytochemical	0.5652174	0.8695652	0.08695652
16	C23 H20 O13 N2	533.1038	533.1048	0.19631761	533.10394	2495	3739	3345	3946	5180	0	0	0	4615	5720	5173	1801	17763	1484	0	0	0	8175	8810	3780	10320	16789	2070	0	0	0	0	0	0	0	0	0	0	1225	8403	0	0	1325	1936	4659	8019	2087	0	0	0	13428	31113	0	0	0	5062	2631	4525	0	13622	5332	2681	0	0	0	0	7368	16115	8301	2344	8350	2969	0	0	0	1512	0	0	0	0	0	0	0	5460	9622	0	14687	0	0	6021	2485	2181	3301	3464	0	0	1978	0	16987	10152	0	0	2282	6437	11189	8303	2087	0	4120	18901	0	4495	0	0	13466	Phytochemical	0.5652174	0.8695652	0.08695652
20	C23 H20 O13 N2	533.1038	533.1048	0.23222096	533.10394	3180	0	4177	0	2312	1285	0	1725	3863	4859	2942	2289	6728	0	0	0	1429	4310	0	2110	3414	7358	2224	0	0	0	0	0	2066	0	0	0	1632	0	4246	0	1540	0	0	2948	6221	0	0	0	0	8435	22955	0	0	0	2043	2567	2371	0	4279	2004	1215	0	0	929	0	3189	10759	4704	0	5225	0	0	0	0	0	0	0	0	0	0	0	1465	2640	8916	2179	13404	0	0	5662	2869	0	0	2859	0	0	0	0	12168	10274	0	3125	2674	2384	3572	3717	1981	0	0	13423	0	2267	0	0	8094	Phytochemical	0.5652174	0.8695652	0.08695652
24	C25 H24 O13	533.12897	533.1298	0.3105827	533.12915	9157	12847	12529	13934	19423	8515	0	2305	20550	39273	9379	1698	40891	9686	4905	1473	0	19242	13080	13767	16064	24456	5810	1866	1993	8553	1575	7584	2552	0	2132	0	2870	1205	31944	0	3816	4284	1818	10474	9206	2882	0	0	0	24640	28161	0	0	0	13626	7505	11698	0	21625	16669	9051	2407	2836	2704	1261	11296	42199	16407	4583	24742	3657	0	7963	14009	13307	1260	1147	0	0	1121	0	2800	7824	11494	10307	22948	2139	8200	20433	8623	6885	2440	4336	2377	2795	4016	4372	24563	35984	0	11296	7251	14417	16914	15882	1665	1770	2761	20837	1742	16358	0	1495	37066	Phytochemical	0.52	0.96	0.0
12	C25 H24 O13	533.12897	533.1299	0.22184055	533.1291	24397	24860	17799	20470	18529	9867	10208	10076	27577	63188	44471	6512	28513	9420	7610	13902	6088	16694	29957	38218	41957	58019	15505	13437	3282	10409	3364	11910	3507	4880	6395	6348	9180	7107	78277	4680	7308	10917	6101	19064	28089	7268	0	0	0	49132	74857	0	6316	5641	20187	21067	13740	0	28503	22984	12178	13407	9314	0	18145	12943	44774	19437	9261	25704	10105	13278	0	19597	22103	7630	5563	5659	6694	7378	0	7589	17958	25801	18663	35772	8016	10612	27322	11970	15238	6363	6186	12655	4120	8491	12546	47887	42613	0	23063	24672	29033	28766	21982	8688	5929	8370	42583	5974	19640	0	5468	32207	Phytochemical	0.52	0.96	0.0
26	C25 H24 O13	533.12897	533.12976	0.28671238	533.12915	5890	6829	7357	7063	11820	5538	0	0	11592	20490	4744	0	27606	6757	0	0	0	15728	10168	13024	10269	11379	0	0	0	0	0	3392	0	0	0	0	1857	0	24846	0	1949	0	0	5388	5255	0	0	0	0	12689	15792	0	0	0	7836	6485	6035	0	11423	9060	3866	0	0	0	0	4187	21192	7882	2746	10787	0	0	0	9364	8596	0	0	0	0	0	0	0	6198	6312	4918	9502	0	3312	12247	0	2269	0	3028	0	2606	4323	0	10594	14948	0	6417	5472	8383	9194	9274	0	0	0	10691	0	7432	0	0	23328	Phytochemical	0.52	0.96	0.0
20	C25 H24 O13	533.12897	533.12976	0.19677573	533.1291	49231	43867	44338	34213	65376	43568	9696	10914	70703	137382	42443	10406	128324	36725	17733	13112	6593	80377	72961	75990	72935	98249	24164	11886	13133	29642	9501	27793	9971	4741	9215	11560	18050	7717	138952	3182	17137	17397	3954	51494	29327	14118	782	0	0	107448	94763	0	12752	4676	42521	47858	33011	328	79337	56572	25385	18563	21336	6528	13193	38511	126769	58209	22171	67685	26315	3642	26021	37838	44841	12479	3688	3464	6640	8901	567	12886	33043	51700	24166	79116	10958	30536	67294	35214	32005	15624	23272	5630	20240	29310	17801	78280	90347	0	42897	43653	57231	58430	54141	9052	7581	13176	73865	15787	47189	0	13896	109808	Phytochemical	0.52	0.96	0.0
16	C24 H24 O12 N2	533.1402	533.14105	0.1634811	533.14026	19217	16673	18956	19255	20739	9509	7578	13444	24650	53295	18127	5984	37847	7959	11027	7617	7608	29616	29810	40592	39294	58492	13936	12324	9869	7196	6199	7320	6335	3789	8859	9586	13237	6465	54255	6386	13652	8377	7365	42387	31153	5834	249	0	0	54722	62190	0	12194	6532	22601	17347	16890	0	30889	18085	9146	11220	11338	5531	8920	29569	48206	26618	7592	18418	13166	9983	11920	14722	13182	7167	7277	4684	6110	9776	0	6786	16581	36234	10928	47080	6483	22775	24714	9480	17673	9458	8939	0	12068	19668	0	44332	54127	0	16011	24441	13495	16775	16553	12370	4015	9492	42336	12778	20038	0	8910	40560	Phytochemical	0.5	1.0	0.083333336
14	C24 H24 O12 N2	533.1402	533.1411	0.18742965	533.1403	23951	23641	19145	16764	18008	13984	6925	10529	21566	46921	28021	6484	40543	7338	8267	10770	6476	29519	26474	31323	51046	73658	12467	11621	5828	5913	5473	0	7453	6004	9147	8047	10544	7637	71302	8824	12132	11337	8442	42936	41188	7125	0	0	0	53202	87946	0	6166	4191	20779	24235	12725	0	26556	21375	7753	8394	12072	7993	0	36278	44174	23933	8441	24752	10585	11087	0	15484	18282	5382	7386	7290	4828	7713	0	7066	14752	38558	10797	40610	8275	16638	24136	11901	16040	11854	10269	14563	9861	14789	16152	46429	45644	0	22052	21919	14613	23886	22761	8339	5714	11100	74743	14287	19318	0	7595	42033	Phytochemical	0.5	1.0	0.083333336
20	C24 H24 O12 N2	533.1402	533.141	0.22259285	533.1403	6221	8946	5551	5926	6391	6617	3588	2988	8189	18438	2802	1982	12123	2943	3975	5483	2945	9200	9054	11333	14004	17867	4815	5524	2922	0	2081	2250	0	3365	3757	1941	3671	1860	18314	0	2409	2532	2055	13590	12722	3717	0	0	0	29641	30119	552	2703	1883	7271	11004	7049	0	15521	7775	5347	2749	2265	1780	2254	9599	17320	10553	2666	11612	5729	4446	2592	5555	3598	1886	2456	1287	1916	1394	0	3718	6252	11044	4048	19759	4091	0	10616	6419	5776	4151	3470	2846	4893	10280	11064	17626	19893	0	7022	6937	7805	7818	6424	4835	2929	4817	19704	4713	5670	0	2102	14363	Phytochemical	0.5	1.0	0.083333336
18	C24 H24 O12 N2	533.1402	533.14105	0.20583184	533.1403	21107	10543	13047	16497	13102	11082	4347	5563	11948	27933	13791	5003	35634	5942	5383	10259	4403	21243	15072	22362	29187	37096	7403	7444	5199	3601	3795	5429	0	4773	6109	3810	9181	0	42513	0	11877	5300	5786	29099	20298	6095	0	0	0	53946	37517	0	6820	3900	16987	12727	10791	0	32866	17201	6420	9984	4931	7331	6300	23255	35465	15631	4210	19436	6727	6621	7134	6133	10362	7036	4434	1483	3904	5249	0	4819	9563	15876	7522	36099	2417	12392	16884	9916	10647	7154	5089	7012	10232	14031	10917	28968	34188	0	17737	12527	10980	14464	12694	7500	6866	8015	30373	6123	12305	0	4296	31462	Phytochemical	0.5	1.0	0.083333336
16	C26 H28 O12	533.16534	533.1662	0.16161755	533.16547	110202	117668	107975	116121	91088	62826	55009	71569	118735	663272	153598	52866	119849	45918	60617	79845	47083	109841	123664	223189	220071	172796	76548	82879	55427	123990	48019	106475	66060	60224	74223	73177	89781	54238	768852	71494	85016	57575	51509	324738	129262	42606	2350	0	0	421562	182885	0	74993	68172	113261	109907	72804	387	110003	77898	46580	79269	73805	44662	82547	103095	150073	94901	45288	98446	64306	49141	113864	188862	159548	73278	73786	62041	46930	66088	0	60603	105562	97560	70309	162256	69341	115241	102181	59000	80798	50372	48755	69834	75164	86348	85093	131535	167148	574	116937	104770	101293	87137	89535	67274	49098	75515	156690	69947	80227	0	58922	126906	Phytochemical	0.46153846	1.0769231	0.0
24	C26 H28 O12	533.16534	533.16614	0.22806121	533.16547	22322	23948	23497	25020	31936	21422	4701	9698	36540	79205	24000	7589	54020	14537	13205	10343	3394	38639	40906	50539	41559	38974	17288	8686	10161	26518	4743	13693	5704	4757	9931	5229	8428	7543	78908	5680	9809	10110	5943	31371	23872	6517	0	0	0	46755	39353	0	7594	4083	26103	22757	20407	0	43500	30031	14800	12150	10643	3096	9252	29758	54142	33446	14183	39600	13464	8376	22869	51694	40918	9091	3050	2668	5526	4501	0	6367	27539	17221	17963	33327	6542	21908	34898	16005	15620	9282	9703	6070	13687	15948	10717	25918	41774	0	24240	23049	25955	24665	27686	7055	7786	10544	32795	7953	23508	0	9471	54434	Phytochemical	0.46153846	1.0769231	0.0
26	C26 H28 O12	533.16534	533.16614	0.3013812	533.1655	12578	11429	8589	9925	17605	10387	2513	0	19583	35396	12277	0	33849	3359	0	0	0	19709	23563	26662	24493	15737	8089	6405	0	15410	0	8033	0	0	3560	0	2873	0	45684	0	5460	4944	3233	12453	9560	0	0	0	0	22173	23149	0	4748	0	9790	9070	10292	0	23504	18130	4256	6344	0	4199	5345	10033	27637	15341	5507	15940	5573	0	15680	29300	18118	3752	2753	0	0	0	0	3004	10252	8688	8966	16483	3701	7004	17601	9171	8883	4590	4450	2834	5154	9125	5718	9316	20934	0	10830	10329	12449	14358	12981	4450	0	0	12097	2628	8868	0	3471	30373	Phytochemical	0.46153846	1.0769231	0.0
22	C26 H28 O12	533.16534	533.16614	0.15912424	533.16547	62121	55289	49132	56189	60768	50917	16628	33287	86023	178323	62085	15784	92853	32232	33345	25116	12206	91603	78874	116278	111126	77070	34137	30954	24837	69455	13837	39079	22517	17328	24586	23349	31327	21468	169218	22891	37283	28518	16837	81873	49239	18563	0	0	0	117066	93810	0	24220	21940	56268	51403	40106	420	94644	58951	27293	34440	28771	14726	24811	47193	110094	58255	26456	81645	32173	14886	58643	111747	94359	23293	15578	19533	8464	21586	281	25848	53066	33260	41681	81871	17071	44438	79420	33107	37707	24780	25682	15315	39598	52597	33045	60734	93903	0	48231	51336	62550	62502	52118	23464	19540	26944	80266	24891	54667	0	21523	110787	Phytochemical	0.46153846	1.0769231	0.0
10	C26 H28 O12	533.16534	533.1663	0.23475617	533.16547	6559	8916	6608	9635	4785	4379	7521	7559	6021	18214	12363	4712	4883	0	3040	5937	6655	4141	4163	12277	14727	6649	4841	7898	4503	9057	6181	4340	5957	5204	4407	8147	5608	5813	20353	3627	4680	5298	7641	8074	12938	3059	0	0	0	12408	17849	0	6435	6977	6862	4215	3054	0	6081	4720	2984	8272	5893	5767	0	6406	5896	5024	2754	5130	4969	5799	10430	12296	12310	4910	4716	5775	5024	4372	0	4253	9328	0	8787	12551	5049	4784	6002	4346	7569	2869	4426	6285	0	4682	7329	9534	8755	0	6009	10062	4752	4928	4404	4722	4302	5329	0	5570	5920	0	5223	5326	Phytochemical	0.46153846	1.0769231	0.0
16	C25 H28 O11 N2	533.1766	533.1774	0.15508477	533.1767	46566	49717	38117	43885	26773	27132	28488	41087	39142	106993	40640	19810	50859	14492	35787	30202	21946	46527	40479	94406	78411	88514	31189	40844	35595	18657	20616	28384	27494	27018	38069	34172	44384	25536	124371	26538	49870	28217	25010	81312	48663	16881	649	0	0	77231	52994	0	34826	30307	49920	42085	29262	0	47811	26669	13185	41418	40582	17460	57946	48058	48399	33769	16307	36628	28555	22492	22294	47668	26966	35062	27985	24904	18781	24628	0	22069	38716	35284	21960	48475	25389	50026	31698	21678	31836	22633	24389	33765	43462	58522	61250	48561	69563	0	43251	46882	24760	25162	28162	35908	20043	34828	52605	53602	26746	0	33349	43794	Phytochemical	0.44	1.12	0.08
10	C25 H28 O11 N2	533.1766	533.1775	0.14995761	533.17664	25152	21659	21274	20825	12076	10361	12819	15685	16976	61017	25239	9598	22762	7040	10458	17899	15152	13297	22112	40024	40551	50079	12158	20211	10162	12271	8200	13776	15405	12242	13157	16697	16862	14267	80425	15668	19726	8316	18756	44423	42252	8350	0	0	0	30905	40794	0	19192	15946	25988	28189	13213	0	22467	13028	7373	17597	13311	14810	19482	24473	24191	18863	5872	16529	12019	20348	17611	24327	24928	18248	12200	11137	9240	15219	0	11377	16124	20410	9617	23364	14063	19870	13031	7334	15142	8920	11994	23817	16554	23179	27231	33094	39783	0	24422	21679	11040	14851	14225	19663	10506	20090	22887	17062	9284	0	13992	23071	Phytochemical	0.44	1.12	0.08
18	C25 H28 O11 N2	533.1766	533.1774	0.17034853	533.1767	35144	38356	25811	28918	24942	24732	15606	28775	27852	70146	34110	18860	43851	16556	19610	29089	16154	40541	41342	56394	49869	61735	22743	25688	23791	37642	15118	25751	20594	18752	17947	23070	33735	19540	100770	23649	32245	19045	19611	49034	41721	16191	537	0	0	56599	35347	0	29866	17957	29949	25850	21753	0	45407	24483	16292	31585	25008	13368	24141	40782	34991	29875	15477	29447	21110	15463	28191	44357	58596	19022	16230	18397	15421	15964	0	21701	29758	29340	21490	33827	20073	38170	22724	13810	24531	15075	25243	22890	38470	51758	47178	33207	58492	0	24761	31536	20931	16025	22384	27236	15342	28479	32595	31904	18823	0	24440	43792	Phytochemical	0.44	1.12	0.08
20	C25 H28 O11 N2	533.1766	533.17737	0.15836288	533.1767	19646	16593	12181	15437	9353	8706	7135	7468	13788	33923	10491	4927	21571	7777	5690	12689	2590	17841	13256	20986	28274	25501	12171	12720	11605	6909	3953	9980	10848	6963	7455	5293	8379	5854	48879	6585	15759	7595	8489	23804	13392	8321	0	0	0	25509	15880	0	9088	6969	13800	15245	10567	0	19551	9393	8188	15205	11201	5217	9414	20015	21837	14916	5497	16151	6489	4540	4794	13896	7961	7892	6910	9704	4068	5885	0	7805	10348	10319	9698	15163	7846	16425	14311	8874	15567	7018	6500	7698	15411	18789	21743	21998	33209	0	13268	14703	5380	9234	9620	17742	5050	10320	16973	15138	14356	0	10609	19494	Phytochemical	0.44	1.12	0.08
8	C25 H28 O11 N2	533.1766	533.17755	0.1688077	533.1767	13839	11131	11277	13918	6241	5699	4391	6271	9548	27382	14380	4054	14792	3033	4167	7966	7371	8823	10087	27295	26741	26461	6825	11691	4116	4011	3706	5254	6968	5875	6702	8840	9032	5163	37026	4411	11629	5030	9227	20181	25615	4949	0	0	0	22169	26807	0	7301	8309	13404	10414	4952	0	13736	6969	2633	6748	5102	8756	13468	12573	14301	11697	2156	8047	5546	9416	5942	10726	13408	6184	6782	5458	5969	6991	0	4805	7076	9625	7074	9622	5981	12806	7865	0	7784	4347	6482	11382	0	10135	17720	21682	25095	0	10021	13948	6043	7710	5771	9703	3935	14506	10426	7538	6971	0	6265	11747	Phytochemical	0.44	1.12	0.08
28	C27 H32 O11	533.2017	533.2026	0.22338958	533.20184	9191	8279	8881	8140	10661	6904	2811	6248	13973	27301	9790	2870	25112	5739	5590	6033	2817	13028	14155	21851	19101	8425	6509	6024	3314	18719	2052	7270	2824	4659	4923	4314	5983	4429	31451	4712	6157	2736	3781	12661	8125	2769	0	0	0	7613	7717	0	5041	3112	10428	6502	9108	0	16701	10596	3558	6462	4485	2728	9272	6297	18699	10716	3774	14657	7528	4105	15085	32604	29251	4486	4220	3653	3068	2932	0	3146	9838	6419	6178	7040	3024	6619	12816	7036	8407	3989	3771	2510	8717	11336	8765	6114	9796	0	9242	8761	7493	12462	9872	4654	2390	7656	5644	5664	7906	0	3912	14760	Phytochemical	0.4074074	1.1851852	0.0
26	C27 H32 O11	533.2017	533.2026	0.21755625	533.20184	25048	20769	28961	22772	27630	24358	3503	19780	40228	65506	25720	9528	57516	13041	13611	15617	6257	39216	33172	49251	57270	28072	17567	15107	9982	37214	4054	17661	12895	12658	12490	12587	17348	10570	67093	10399	16404	14277	11096	36168	23035	9310	0	0	0	25805	32299	0	15115	13066	24783	24583	17565	0	39206	33725	10283	13276	13038	9247	20973	22553	47179	27074	13261	31880	12007	9902	42273	65750	56478	13999	10727	7778	10404	8744	0	11102	24678	9182	19955	16344	13955	17195	27349	14551	22813	12018	10000	9517	15598	21340	21207	15204	31161	0	21719	30603	24077	25721	28339	12611	8549	20070	24833	10415	19253	0	10733	52961	Phytochemical	0.4074074	1.1851852	0.0
22	C27 H32 O11	533.2017	533.2025	0.15353091	533.20184	164444	154247	154370	160758	140449	116673	57645	117105	186443	418742	162573	67595	217991	97473	106627	103490	53391	199540	185784	339779	316149	187738	116178	125765	109120	217041	49050	139318	99224	91987	109710	124371	124004	98118	441072	105658	143189	92448	64619	211084	135496	64519	2661	0	0	223684	151898	0	102175	86664	154325	156886	129382	502	221524	134114	77088	113076	115316	46102	111559	148911	253028	169126	69186	164502	96988	65189	172136	411061	294125	112883	87412	88928	53796	88744	402	90660	141003	76800	125444	133591	83861	134946	158176	93059	123811	67124	91481	68977	130539	139117	145306	104195	173658	0	143372	152755	130053	153188	129437	104185	71141	120529	139448	98940	123723	0	79775	263256	Phytochemical	0.4074074	1.1851852	0.0
10	C26 H32 O10 N2	533.21295	533.21387	0.14896394	533.2131	19072	11139	15991	17109	6384	8148	11324	22189	8320	32835	15289	8334	12231	3011	11467	13898	10570	9269	14836	28647	30258	37631	11707	19519	14811	10772	9918	12432	15582	11942	12729	12584	22458	13359	49835	10140	19796	10903	12769	34808	23312	6531	0	0	0	24918	19429	0	16540	12766	17763	16508	9925	0	16105	9531	4411	20001	9753	6942	16498	18967	10208	11678	5132	9797	9882	17404	0	19701	10815	13126	11086	9319	9808	15222	0	8064	14627	9216	9827	11173	11699	15783	6650	4680	14147	8073	7747	16129	19484	24481	32933	12974	21651	0	17411	14522	5336	8162	6687	13475	8572	23976	0	20044	6449	0	11524	12344	Phytochemical	0.3846154	1.2307693	0.07692308
20	C26 H32 O10 N2	533.21295	533.21375	0.10748848	533.213	20170	14250	22049	20344	10763	16240	17699	16053	12540	28687	14461	9155	15958	4605	20437	24464	9447	21095	21820	25039	19854	34545	20550	27374	22342	5858	12222	12395	24777	11785	19816	17868	24040	17655	46302	16836	26161	11952	12644	29276	14236	10422	0	0	0	19697	6698	0	18198	14141	16494	16399	13359	0	18362	9773	9117	17548	22123	6184	17390	20755	20132	13915	8858	11242	15100	12776	5956	15236	7914	20033	20796	16292	7318	13715	0	13929	20024	11781	8522	10074	20178	17863	8511	12599	18406	11873	15480	14897	29913	35392	44871	14867	16822	0	19899	18838	8202	9152	8385	14189	13462	23390	12604	29756	8167	0	13108	19621	Phytochemical	0.3846154	1.2307693	0.07692308
16	C26 H32 O10 N2	533.21295	533.21375	0.06006833	533.213	40267	39740	41118	37347	19077	23183	28561	43724	19283	89051	31036	16537	24671	16190	38796	40914	24566	25581	44438	87330	51772	65639	33599	48665	38148	22294	25017	31069	48412	40754	34671	35040	57885	34751	95682	43623	57981	32492	29888	60953	32327	20195	444	0	0	48580	26388	0	50801	38420	41602	43153	21520	0	37157	20377	19053	48397	45599	18181	50477	33397	23277	25338	13645	24749	27377	24407	10486	47628	23598	42636	36771	36482	25463	43499	0	26537	43689	33372	29529	29984	41167	44784	22814	18216	40044	21176	22030	42759	62844	79723	91203	35351	58301	0	39532	39360	15554	19489	15047	52336	23117	53608	26714	51182	16255	0	43474	30813	Phytochemical	0.3846154	1.2307693	0.07692308
18	C26 H32 O10 N2	533.21295	533.21375	0.04373262	533.213	42115	35838	33583	37288	18757	24590	55390	53500	25019	68488	31076	32162	32022	11478	53557	44828	19286	38620	42396	65704	44800	59001	35497	44543	47378	15451	41549	25831	51556	43609	49753	53527	72843	40615	71351	49145	68722	48689	23767	57472	23349	27535	468	0	0	43922	19108	0	49721	38906	41223	39120	24010	0	35937	17643	23889	40468	46426	17122	45131	38526	27491	21865	22585	29328	27695	32327	11661	33829	20085	40538	34027	35580	24932	32174	0	36412	29071	27165	31611	30630	33968	30330	16420	28724	30192	30482	26068	32716	51974	69517	75903	29440	43576	0	38443	34684	12682	13562	17142	58944	38070	38064	20256	47906	17609	0	42913	32591	Phytochemical	0.3846154	1.2307693	0.07692308
0	C26 H32 O10 N2	533.21295	533.21387	0.018985515	533.21295	0	1834	0	0	0	0	4452	0	0	0	0	1889	0	0	0	0	15630	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1146	0	0	0	0	0	20566	0	0	4082	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29071	0	0	0	0	0	0	0	0	0	2033	0	792	0	0	0	0	0	0	0	0	1952	0	0	0	0	0	0	0	0	0	0	0	0	2153	1842	0	0	0	0	0	0	0	Phytochemical	0.3846154	1.2307693	0.07692308
26	C31 H32 O8	533.217	533.2176	0.10634632	533.21704	9198	5480	7120	7021	8331	0	0	0	9643	11063	21915	0	8830	2845	0	0	0	0	11531	16279	19641	9693	0	0	0	53068	2518	20392	0	0	3680	0	3468	0	13558	0	2483	3443	0	10240	20229	0	0	0	0	0	8904	0	3229	0	6116	6569	6623	0	8124	10074	4450	3730	3326	0	0	7997	7888	7826	2833	7008	4412	2661	60992	35341	58759	0	0	0	0	0	0	3209	8661	8530	6657	7867	4713	16715	14975	0	6291	5404	4770	4953	3376	4321	6193	7751	8838	0	7857	0	9416	13540	12581	0	0	0	0	2732	8178	0	0	5605	Phytochemical	0.2580645	1.032258	0.0
22	C31 H32 O8	533.217	533.2178	0.10889776	533.21704	16000	13027	10830	14090	11113	4512	3744	9945	12052	23619	37887	6124	7827	14548	3376	8812	6376	10361	13555	27532	30006	12560	7465	12140	8430	84955	4396	32433	8310	8182	7050	0	10885	6922	23149	5959	8050	7604	8038	23923	29840	6633	0	0	0	9779	17199	0	8063	9135	16592	17162	10887	0	8866	14115	8237	10400	6637	5036	9455	18576	14215	7252	6689	16409	8552	9577	68478	58775	103185	7172	4301	6376	2533	7793	0	4685	14340	12441	11696	12983	7457	23601	14526	10830	14252	8854	8320	10357	9216	12458	11298	12458	10332	0	15775	13983	15044	16074	15376	5254	5267	9183	6927	5284	18031	0	10588	9303	Phytochemical	0.2580645	1.032258	0.0
28	C31 H32 O8	533.217	533.2175	-0.004566646	533.217	0	1266	1762	1745	1601	1542	0	0	2703	3175	5712	0	2333	0	0	0	0	0	0	3334	4745	1404	0	0	0	11551	0	4054	0	0	1505	0	1691	0	3292	0	0	0	0	3720	3833	0	0	0	0	0	0	0	0	0	1571	1962	2080	0	0	2947	0	1483	0	0	0	2419	1984	1698	0	2730	2086	0	14820	8553	22342	1421	0	0	0	0	0	0	4556	0	1534	1362	0	3983	3998	0	2120	0	0	1720	0	1352	0	1995	0	0	2525	0	0	4439	3425	0	0	0	0	0	2554	0	0	1280	Phytochemical	0.2580645	1.032258	0.0
24	C31 H32 O8	533.217	533.2177	0.09349045	533.21704	17938	13184	14130	16703	14427	5436	4334	7015	13025	29164	39952	3743	15977	11672	4686	9713	4627	13310	17301	30424	30866	12701	8235	10459	4526	92347	6532	39561	6387	4241	7340	7637	6150	7051	36801	3181	6975	7403	5965	22257	30785	8048	0	0	0	16981	19941	0	7878	4832	11957	16755	13305	0	14012	17440	7581	7935	6099	5108	11007	17488	15674	12977	9130	11593	11794	6441	86495	63636	88691	10096	4315	4028	5455	6496	0	4624	15645	12363	13440	15640	8570	24069	23249	10943	15269	8145	8632	10703	7895	8862	10475	17254	15736	0	12886	16376	14494	17537	17565	8155	5344	8497	8443	8048	14314	0	6255	12394	Phytochemical	0.2580645	1.032258	0.0
24	C28 H36 O8 S1	533.22034	533.2215	0.5092561	533.22064	18146	17229	11337	11647	8168	9547	2528	7189	11431	42331	30013	3104	16410	5236	4060	10186	5218	14026	15816	47547	79636	44916	6325	9347	6813	36145	4051	25196	5994	3044	2618	7411	12277	5801	48869	6105	7340	4306	7101	37543	29215	6240	0	0	0	15568	21013	0	8587	3250	15656	23758	12024	0	9631	7042	5097	7756	11215	19604	9118	23557	6519	6642	5843	8382	8121	8473	32705	56528	51738	4109	11272	2184	5254	4849	0	2613	10467	24130	5057	13181	9373	25747	10626	5544	9527	6850	8414	6362	32631	37604	10306	31115	41941	0	19858	17328	16762	7408	7129	20068	4457	19929	30554	9608	11105	0	5656	10198	Organosulfur	0.2857143	1.2857143	0.0
14	C25 H32 O9 N4	533.2242	533.22485	-0.16349328	533.2241	6892	6895	0	4288	1901	4194	4160	10877	5213	6722	5045	6546	6410	2316	8923	6163	0	2358	2750	7936	7227	0	5466	6297	9695	5205	5582	0	9223	4547	7659	0	8330	4147	15642	11461	11409	5412	6656	10557	0	4738	0	0	0	6090	4252	0	6534	3989	6348	3532	2793	261	0	2653	3210	8584	0	0	0	3972	3117	0	2484	0	5432	9000	0	21808	5480	4808	5504	6025	4479	3352	0	3795	6176	0	4336	5493	4078	2201	0	0	10091	0	3682	0	9877	8073	18747	3431	9855	0	5696	0	1929	3411	1374	6889	5812	0	0	8198	1488	0	8021	2712	Peptide	0.36	1.28	0.16
14	C28 H36 O10	533.2381	533.239	0.1432003	533.2382	35135	36351	35065	29666	15517	15196	30756	39019	20830	29364	28760	33256	16627	13874	28646	35986	35970	11255	21545	31244	30459	31768	24213	33908	23126	32514	29554	27844	25981	29231	28219	45674	32762	21201	30211	29662	25945	27150	39912	20368	39459	15809	0	0	0	25740	33469	0	39236	32056	33467	29451	18705	0	21117	18171	16395	40149	29110	34371	49832	19509	19567	23006	15988	16877	15795	41306	28445	41233	49152	24349	23701	40052	33585	32750	0	24056	41686	0	37848	18655	29362	19616	26303	15066	38424	10517	19765	53389	20518	24982	41888	19601	15581	0	33229	31928	17146	28671	26272	33747	20850	45041	20223	31128	17431	0	29281	16110	Phytochemical	0.35714287	1.2857143	0.0
20	C28 H36 O10	533.2381	533.2389	0.15521947	533.2382	376247	359989	344837	339842	298088	213630	219246	341270	360640	648526	369342	205375	372762	188609	297025	339880	215633	324347	427185	682717	611993	345669	290028	367334	267215	579446	197746	358197	317223	299799	290847	300454	364346	257515	758769	289849	356426	239718	228145	409874	300124	191733	7590	1088	583	310935	259355	493	324455	272195	359985	369265	252676	1164	428922	292892	172182	350001	282941	166706	324986	270213	388265	336012	170702	305512	216166	245019	448942	821829	671380	277393	274158	294279	244931	274635	345	233967	394148	191368	303378	204880	253348	370685	336866	207212	359967	170072	214449	259438	355707	370570	419284	224722	267835	2007	363641	360988	261913	302470	308768	296214	214244	368550	195189	298562	268314	0	241760	407512	Phytochemical	0.35714287	1.2857143	0.0
22	C28 H36 O10	533.2381	533.2389	0.17338675	533.2382	368534	358352	333553	345678	314853	235392	162779	324523	387740	782345	378581	170623	381327	190934	298168	307963	164231	408647	416133	727396	623692	373405	288008	328641	289983	570146	145796	354455	305272	251947	286935	308885	338517	236684	888406	294505	366313	246271	184299	455366	249642	185305	6675	0	580	360434	218374	0	292593	262035	344259	361342	250375	1100	452609	303514	177497	319121	286528	132114	305447	296298	453176	338774	156772	336499	226294	182035	439068	995191	668326	274189	240804	279344	145713	257483	635	243544	341960	158161	294421	210762	224455	272976	346616	225555	316515	167880	222415	205774	343179	392633	367263	201611	306582	0	318655	343200	269773	284156	266038	307428	206539	323333	213079	276814	271448	0	222017	479682	Phytochemical	0.35714287	1.2857143	0.0
28	C28 H36 O10	533.2381	533.2389	0.13668983	533.2382	16494	14236	16894	14966	17590	11436	6742	14715	21378	36277	18462	4966	31693	9100	12194	15768	6182	20188	22725	35985	31017	13399	11408	14295	9066	39484	7635	19558	10600	9157	9813	10692	13963	9338	40095	11064	12364	9120	8297	16806	14169	6685	0	0	0	13782	12094	0	10505	7798	15965	14189	12260	0	21316	21036	6634	15285	8010	5187	13098	11469	26200	17184	6155	21001	10051	9086	37305	56052	55270	8587	6971	7327	6493	7258	0	7006	18990	7312	11526	6849	9576	14014	20639	8777	18221	8854	9939	7552	16746	14677	16019	6923	13596	0	16522	14690	13671	20128	23447	14136	5830	15597	8624	11259	12208	0	7301	23411	Phytochemical	0.35714287	1.2857143	0.0
18	C28 H36 O10	533.2381	533.2389	0.122380786	533.23816	213636	227234	189625	203406	153025	104078	150305	231636	166983	313554	216791	142903	195082	98996	188635	217930	176539	173557	233185	365448	321903	191490	188366	232465	155999	304599	134613	196656	213534	184152	184924	210353	223444	199506	347151	211176	209201	170457	201961	224421	203606	113777	3478	0	0	191982	150931	561	212518	194593	214467	226875	132213	429	251576	172111	110334	211118	161709	130194	207129	148511	226878	172344	95260	179526	132004	206385	243783	366335	403594	163346	140369	193151	189812	204879	0	138104	263531	126967	220634	137637	158267	153254	213072	127260	234646	105461	132228	199657	194753	219631	256523	129913	168844	809	212737	211151	153070	183129	183420	217352	136887	229450	108100	178844	140697	0	160182	194826	Phytochemical	0.35714287	1.2857143	0.0
26	C28 H36 O10	533.2381	533.2389	0.1060138	533.23816	49083	57173	46633	51188	64302	41069	16064	49777	65670	107656	50365	26920	110194	43147	37513	48116	22426	80071	99625	126214	121707	55843	52466	57083	47454	97507	17847	48936	49011	33011	38736	36878	50456	34028	139374	43499	60805	31134	27418	68424	51737	36290	0	0	0	58249	43926	0	40502	35925	56570	46491	50705	0	91660	67844	33337	46686	38832	17873	52957	44099	90587	63043	21999	66982	40861	28504	85219	159774	134787	45667	33789	39102	22688	30710	0	25548	61771	26144	45446	38660	30536	42169	63189	39580	53391	25426	28586	30600	51904	53084	62651	28770	54737	0	53622	58875	47413	66242	59318	43719	26976	49921	39136	41068	46603	0	29359	85490	Phytochemical	0.35714287	1.2857143	0.0
16	C28 H36 O10	533.2381	533.23895	0.09199898	533.23816	96271	90235	100164	95300	57349	43487	78219	103840	74069	107857	71888	79785	72418	25351	88777	110427	174944	54678	77334	121451	112261	74223	83308	101919	68230	113650	77420	62613	83986	98180	86286	97115	101846	55019	101582	102471	91613	78767	201235	71351	94002	47336	981	0	0	71509	71591	0	103306	87666	96786	108388	49927	0	87219	69053	44816	100821	66855	82681	104802	54355	75389	71182	38005	62443	56079	148818	96710	128655	141828	73002	83792	95236	109416	94060	0	69908	114177	58361	92976	53264	74949	66575	85814	53037	115939	40937	54084	148950	78525	77448	133746	58601	69194	526	90796	82840	61736	75240	86065	104851	64224	92084	48429	96113	67967	0	83505	62908	Phytochemical	0.35714287	1.2857143	0.0
8	C22 H36 O11 N4	533.24536	533.2462	0.39553314	533.24554	6763	8282	8446	7617	0	1330	0	0	0	3400	3830	1190	0	0	0	0	0	0	0	0	0	2585	0	0	0	0	0	23650	759	0	972	0	1214	1203	2395	0	1290	0	0	0	0	892	0	0	0	0	0	0	0	0	6918	8288	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1033	0	0	0	0	0	0	0	0	0	0	0	8210	0	0	0	0	0	0	0	0	0	0	907518	446607	0	4621	3571	0	6290	8083	0	0	0	1112	0	0	0	0	0	0	0	0	Peptide	0.5	1.6363636	0.18181819
10	C22 H36 O11 N4	533.24536	533.2457	0.26296481	533.2455	3093	2461	3896	4280	0	0	0	0	0	0	0	0	0	0	1163	0	0	0	0	0	0	1789	0	0	0	0	0	9569	0	0	0	0	1206	0	2833	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2767	4252	0	0	0	0	0	1770	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	543365	236599	0	2437	2923	0	2749	2095	0	0	0	1465	0	0	0	0	0	0	0	0	Peptide	0.5	1.6363636	0.18181819
4	C22 H36 O11 N4	533.24536	533.2465	0.4506676	533.24554	4844	2548	4480	0	0	6408	1496	2480	1416	0	0	1432	3818	0	2008	2272	0	1576	2600	0	0	0	2527	4492	0	0	0	0	0	0	1928	0	3360	0	0	2380	0	2824	0	0	0	3144	0	0	0	0	0	0	0	0	2548	3120	0	0	1440	1040	0	2456	0	0	0	0	960	0	0	4252	0	0	0	0	0	0	0	3008	0	1632	0	2204	2272	0	1400	0	0	0	3632	0	2336	2288	0	4824	148160	45704	3468	0	0	0	3128	0	0	0	2516	2428	0	0	0	2476	1044	0	1732	3280	Peptide	0.5	1.6363636	0.18181819
6	C22 H36 O11 N4	533.24536	533.24634	0.34507498	533.24554	5256	4063	2994	4514	0	4442	1054	1016	0	2180	2766	0	915	794	852	1125	0	1205	850	0	0	3681	0	800	604	0	752	20266	0	0	1089	0	2603	0	2540	1077	1465	975	1539	0	0	1158	0	0	0	0	0	0	1350	0	4848	3652	906	0	0	0	0	2440	0	600	0	0	0	0	0	765	1167	1435	0	0	0	1229	734	0	1097	895	0	482	0	11194	0	0	0	0	711	0	869	725	1042	0	415862	182717	3099	5638	4507	0	4222	4929	0	0	0	863	0	0	0	0	0	0	605	905	Peptide	0.5	1.6363636	0.18181819
14	C27 H36 O9 N2	533.2493	533.2503	0.2285045	533.24945	8680	7628	10003	8403	4762	3207	8446	12995	4134	7968	3107	5981	2262	2421	9143	12828	6491	3165	8118	12664	11208	14606	6329	11697	12995	3426	8489	0	11458	10117	10218	8271	12008	9563	10997	10518	13634	5436	12227	14174	8142	4192	0	0	0	13417	6102	0	9709	8597	5406	7191	4853	0	6178	1899	3080	14429	7528	5890	0	9192	1643	2672	0	2418	4544	11521	0	6634	3869	7429	10780	8193	8145	10965	0	7909	4436	0	4400	6833	6511	4077	0	3777	7329	4633	7004	26499	18235	9998	24447	5348	11831	0	5171	12462	1904	1390	0	12594	5711	13436	0	8263	1220	0	8476	0	Lipid	0.33333334	1.3333334	0.074074075
16	C27 H36 O9 N2	533.2493	533.2501	0.19290176	533.24945	12415	14357	8663	11527	2969	5632	17332	23112	4902	10136	9273	12861	3827	3572	20768	21938	11389	4320	11007	22775	16800	21925	17225	19684	16190	2387	10506	7182	16149	17066	20946	17627	19881	18831	16348	16292	21826	17375	14546	16353	7622	3948	0	0	0	14378	8495	0	23829	17306	12632	17876	8902	0	8571	3847	6721	19816	22977	8180	18891	11524	7553	2669	6432	9400	7033	13236	0	7951	0	18659	14119	17460	10666	18168	0	12441	13365	7927	12290	8681	16788	15295	4021	7346	17840	8777	10314	0	22876	24088	35428	11308	16106	0	12617	11039	6594	2385	3300	18004	11548	20512	9787	22779	4636	0	17317	4328	Lipid	0.33333334	1.3333334	0.074074075
18	C27 H36 O9 N2	533.2493	533.2502	0.12809719	533.24945	16172	18701	17811	15226	10677	7575	15312	17239	6554	12096	6537	10235	6347	5364	13581	23533	13241	10032	12776	26264	13746	18159	13088	28003	19620	5120	11064	7578	21808	21758	20440	26233	28059	20670	21292	18923	27636	14338	12638	16015	11943	10776	0	0	0	13387	8626	0	26264	14210	14538	16731	9842	0	9161	6245	5110	31442	17193	9698	21781	13032	8321	7768	5627	10139	10577	13669	2805	10558	5517	14108	19034	13191	15689	18502	0	11148	16639	9165	10295	11923	15990	11955	6389	5446	17204	9857	11021	19655	36921	41400	30857	9142	21284	0	16540	14601	4647	2402	5751	24094	13061	22245	9000	23553	7303	0	16263	7380	Lipid	0.33333334	1.3333334	0.074074075
8	C27 H36 O9 N2	533.2493	533.25037	0.36032075	533.2496	7737	21876	21734	10176	10175	12101	15543	34212	2016	29967	3558	12510	5613	0	25265	28599	24340	3222	7257	20172	12084	24915	18684	43022	30071	4290	14333	7180	14358	17546	27145	18889	32088	12792	35559	20529	26326	18995	29825	15387	0	4707	0	0	0	8160	13420	0	20906	20011	29474	11766	9642	0	9312	1944	6621	24234	0	2685	0	10398	0	4809	0	3915	11243	16200	0	12843	4965	24281	19321	19679	16965	14640	0	10044	9942	13305	18534	7553	9431	11967	0	0	12099	5628	15804	37590	0	0	55750	6687	30734	0	14095	16307	2523	3445	0	15480	13719	21798	0	22888	0	0	19586	11949	Lipid	0.33333334	1.3333334	0.074074075
20	C27 H36 O9 N2	533.2493	533.2501	0.1641414	533.24945	9854	12446	10910	11307	6346	6228	10216	19100	6243	19312	3519	8476	6211	6328	16469	16051	5587	8631	14532	17591	9434	23831	12071	18889	14988	5432	10596	4339	21867	13052	10396	14971	22418	16330	14438	19203	18217	12141	12595	16302	7428	7948	0	0	0	11006	5811	0	20035	14954	15137	14750	4659	0	9678	5249	5027	21535	18990	8223	16898	7663	3204	7583	5628	7393	9871	12275	3524	5362	4142	13877	14592	8607	10087	15260	0	9631	9684	8079	10167	6427	16009	8064	2702	7370	11005	9079	9672	10826	23338	35241	33355	10455	14902	0	14771	12217	6503	3045	1707	22226	8933	25491	9049	25299	5938	0	14419	8863	Lipid	0.33333334	1.3333334	0.074074075
24	C32 H36 O7	533.25336	533.2541	0.08340932	533.2534	16078	16311	14257	18351	14092	8362	9743	16750	15654	17349	33381	8483	17570	13362	13098	20552	12680	9964	17397	30532	25559	13512	13966	18494	16390	80638	10826	34007	13650	16337	12457	16691	9507	12113	22298	16343	19360	9238	15874	30811	35848	12352	0	0	0	13020	15487	0	15120	14073	18012	17364	14099	0	13723	14584	11039	15353	11761	12960	18518	21584	10935	15197	8184	12219	13708	19691	76174	65558	78902	14637	14254	10101	11353	15394	0	12337	16286	12212	15892	10314	13645	26286	15389	15039	24002	13416	13528	21121	11410	11171	20451	13376	11171	0	16814	17951	14763	21019	19653	19818	12950	22816	8089	13684	20134	0	17128	7109	Phytochemical	0.21875	1.125	0.0
22	C32 H36 O7	533.25336	533.25415	0.15491691	533.2535	10291	12019	14242	7304	8003	4553	7964	9700	10289	9859	16949	7317	4711	0	6998	13335	15346	5392	7391	19655	13145	9585	9248	9464	9743	49002	9073	19137	5398	8708	9425	8392	10674	10223	11958	11624	8795	9822	16395	17814	24290	6100	0	0	0	9993	11609	0	9997	8819	12306	7785	6708	0	6003	10129	6614	12010	9098	10311	8366	10208	7298	4895	7709	10216	8071	16605	34702	33132	49211	6442	6937	7079	8870	10251	0	7502	13136	7978	13253	7150	7407	16599	10124	6219	15465	5482	8399	17682	11705	7805	13890	6643	10415	0	9947	11200	7972	9607	10958	16178	8182	11544	2205	11594	9148	0	10197	4780	Phytochemical	0.21875	1.125	0.0
26	C32 H36 O7	533.25336	533.25415	0.06436898	533.2534	13110	15091	11696	12026	10288	4772	2730	11013	16144	12427	29184	5534	9669	7585	10111	12519	8349	8376	19289	19199	21380	11077	8471	13313	15051	77377	5115	26297	10408	11299	10823	9201	10192	10061	16659	13833	12758	7772	8898	19873	25971	9660	0	0	0	10458	8876	0	10380	12155	12970	14531	11642	0	12099	13718	7930	12269	8491	6369	10754	13522	10945	11168	7484	8801	8520	8453	64934	37113	52760	7559	8187	6936	0	8535	0	8020	13923	9771	9181	8078	9847	21362	17868	8676	14558	9028	10569	13576	6238	8850	12478	11682	7031	0	13445	10300	12587	18380	26816	13555	4935	16369	10595	9773	10103	0	10730	7344	Phytochemical	0.21875	1.125	0.0
24	C29 H40 O7 S1	533.2568	533.2581	0.97070533	533.25726	28664	14936	17573	15444	13517	12906	5460	10841	15505	30060	23002	5743	15413	12990	9430	15843	9572	12118	25095	34006	37744	20333	7478	12077	10978	33873	3999	24218	13537	8034	6697	11525	10330	10400	36065	11472	18102	7183	18106	29098	26025	7576	0	0	0	16446	20256	0	11371	13604	17626	11893	21538	0	14293	9969	7191	13205	21616	26706	14265	17757	13846	12143	7835	13264	10427	12504	31933	52352	46725	10837	8766	7303	7988	7428	0	10092	11373	14755	10830	12624	12654	18456	18192	8229	15634	9432	12306	12455	31920	32066	20903	18747	28120	0	14229	19026	9130	10725	11990	13568	5825	20351	12586	10978	9111	0	12664	19610	Organosulfur	0.2413793	1.3793104	0.0
4	C29 H40 O7 S1	533.2568	533.2573	-0.2177137	533.25665	0	0	0	0	0	595	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37174	0	0	0	0	0	0	0	0	0	0	9063	3304	584	1277	0	0	0	0	0	368	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2413793	1.3793104	0.0
28	C29 H40 O9	533.27454	533.27527	0.07414597	533.27454	20952	20356	23594	22066	29554	13639	17542	17978	27463	34112	22273	9731	39257	16529	17101	18634	12955	24296	38966	36914	36647	18433	15271	20526	16433	44237	14168	26471	21295	20796	17194	19007	27472	16617	42526	19841	25792	14334	16337	24596	19532	10546	0	0	0	16784	12049	0	25360	18021	22679	24257	22575	0	37112	27797	9511	23162	14457	7225	20243	14861	32898	25743	8963	28221	17709	16227	43302	64613	63854	14473	11818	14077	10784	16379	0	10745	27530	12538	17195	9299	14419	19311	35673	15565	27639	12046	12487	19846	21425	25370	27720	13972	14938	0	20579	24068	17061	35665	38327	25717	10578	26701	11179	19572	19963	0	13172	26950	Lipid	0.31034482	1.3793104	0.0
22	C29 H40 O9	533.27454	533.27527	0.121684484	533.2746	307641	304386	272150	297793	291469	195962	216785	290193	329100	381910	294878	174819	297821	179645	265113	313222	248133	307700	378130	472627	411271	260294	284480	301415	244609	440801	192389	283319	290445	257939	255255	292945	336639	224077	433717	275698	328638	239201	247496	297085	236620	186057	4120	0	0	218353	182923	0	267977	254972	294920	285131	243234	736	440149	303466	187200	326852	257028	163655	312360	199912	360335	317876	149576	278924	215592	252500	313540	577332	472904	206035	221554	243031	213855	270410	0	209864	375803	157736	282277	164965	236690	216793	374849	228896	334848	161041	206965	236761	299126	356148	327546	180310	258438	0	263407	295609	231517	343477	310515	341112	186517	330040	161109	259546	284965	0	230995	334297	Lipid	0.31034482	1.3793104	0.0
20	C29 H40 O9	533.27454	533.27527	0.1000083	533.27454	175206	174120	155961	165640	158248	93581	146195	171820	171173	169210	140369	123408	180626	99226	167196	208095	174738	145458	213575	206229	188468	135891	147190	194846	145986	231694	141545	131777	161382	160145	139760	163809	182829	123855	198274	165523	188630	141066	206774	135465	151742	109108	2576	0	0	121482	127394	491	165044	154308	168418	176882	126417	0	222990	165902	112152	190434	126254	117650	169575	89092	186539	170351	102805	140944	113670	206600	149090	242563	267114	121669	128666	156224	191325	154577	0	133816	228218	107815	166317	87079	136058	153553	211089	132080	223131	102221	119633	197633	182583	163720	223084	96051	138920	674	160723	172845	136696	217207	217835	202477	115167	181362	89944	154338	166991	778	157211	162635	Lipid	0.31034482	1.3793104	0.0
26	C29 H40 O9	533.27454	533.2753	0.13366781	533.2746	135041	116053	116513	120498	133130	94934	55280	129099	152210	184366	117587	66530	184759	85244	111132	136664	64359	167082	221662	241224	213203	125651	120307	130727	117412	186672	57380	118594	149723	137256	116153	113472	154979	103487	269094	131902	172888	89195	72529	152075	82702	83132	0	0	0	129763	71495	0	129055	121620	126696	117804	105173	0	213963	149365	74016	134131	117340	48310	139489	91045	184351	127073	58290	126674	100103	81054	184114	312417	226679	104837	96622	122215	109827	107241	0	82840	125708	63005	98384	66631	95930	90023	171117	104553	111972	68437	89516	68758	128595	149157	158064	72006	107775	0	122946	137325	93752	144230	167215	151311	65036	159779	71521	97931	116637	0	84627	157550	Lipid	0.31034482	1.3793104	0.0
18	C29 H40 O9	533.27454	533.27527	0.07611753	533.27454	77566	74370	60633	67499	62935	30446	71206	66741	60455	53025	45832	56878	58981	33255	70114	97655	93325	39395	77923	74124	56636	48682	70103	75344	61145	69476	71441	46498	67542	64521	66997	81791	88266	57649	70942	90855	70962	63972	111028	42505	51553	45706	903	0	0	41217	52101	0	75860	60043	74338	69491	48810	0	94253	66817	45867	87255	52519	53091	71587	30106	73851	69420	42586	46172	48425	126024	55198	82529	91000	40250	51138	68629	106536	82291	0	51138	112912	42432	80124	39598	61229	33027	100790	55532	103210	34116	46863	105486	60496	67489	80621	32764	47581	0	80199	74866	55640	92578	88637	80677	47584	68233	34698	65176	67937	0	71478	53622	Lipid	0.31034482	1.3793104	0.0
16	C29 H40 O9	533.27454	533.2753	0.08165265	533.27454	23594	25265	21668	19957	13380	6761	26257	29490	19241	14253	10855	18024	10961	9011	22578	30665	42521	10754	12869	16972	11205	10579	20402	27770	21231	13593	28781	10714	26205	27389	25340	30809	23970	12104	18975	29912	16874	23474	51397	8595	12216	11505	418	0	0	13691	14899	0	30719	23030	21630	24004	15632	0	24994	17400	11504	29094	14474	20196	23080	7981	15279	18012	11271	11117	15492	46921	14498	14243	26246	14975	11907	30836	38822	23496	0	16849	42903	8272	28868	7109	22937	8379	29756	12885	35242	8459	16152	42610	24263	23018	0	6945	10585	0	23704	19988	15755	28947	29568	26982	13407	17957	6436	21813	27082	0	26494	12762	Lipid	0.31034482	1.3793104	0.0
26	C33 H40 O6	533.2898	533.2905	0.077135	533.2898	13074	15972	11447	10793	3742	3640	7075	16392	8500	5123	15114	7176	4895	6844	11815	18717	14272	5687	8766	11169	12707	8120	12029	16556	12999	41587	7162	22425	11115	22226	14421	13181	17601	9430	7261	14909	13647	9816	16133	13453	16413	8033	0	0	0	8475	0	0	9388	18773	11935	11007	9050	0	14304	12563	8048	12892	10165	7835	14185	9875	6426	7171	5261	7239	11141	19565	33562	19931	27666	7575	7943	17341	11689	17437	0	9083	19069	10215	14304	8292	12639	15720	12657	0	18106	6802	10392	14157	10203	10421	16238	9659	0	0	9929	12577	11076	18480	22458	22244	9328	19690	0	13683	10017	0	12002	2840	Phytochemical	0.18181819	1.2121212	0.0
24	C33 H40 O6	533.2898	533.2905	0.13338228	533.28986	9140	11317	8155	8984	5140	3736	6766	12213	6272	6048	11354	8353	4569	6711	10825	18087	19823	3032	7299	9665	9131	6536	9966	14800	10432	28210	10700	9106	9624	15436	11762	10599	12542	7612	8544	12740	11962	9515	17311	9499	12162	7215	0	0	0	8669	10188	0	13758	13627	13657	10335	6106	0	9010	9376	6810	12933	7731	9582	11516	7174	2168	6427	5442	6195	7848	19022	15940	13780	25357	5378	8623	12299	10160	12628	0	8583	14220	5908	10894	5679	12060	6971	8881	8260	17668	6239	7163	23603	8676	7560	13992	7670	3030	0	11220	11605	6376	15497	14862	18391	8582	17365	3265	14304	6421	0	11456	3964	Phytochemical	0.18181819	1.2121212	0.0
12	C25 H44 O10 N2	533.3069	533.3077	0.2816891	533.307	0	0	0	0	0	0	0	0	0	0	3974	0	0	4053	0	0	0	0	0	0	0	0	0	0	0	5049	3940	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3104	0	0	0	1545	0	0	0	0	0	0	0	0	0	0	0	0	0	142548	0	0	0	0	0	3765	0	0	0	0	0	0	0	0	0	0	5561	0	0	0	0	0	0	0	0	3931	5819	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.4	1.76	0.08
20	C30 H44 O8	533.3109	533.31165	0.08448563	533.3109	26130	25554	28649	28262	33718	14388	30928	24379	32427	7257	14580	21372	30137	28104	29989	43919	60896	18137	41691	14727	17470	16607	25345	22314	31397	13128	35558	14899	31688	21518	22964	29355	29068	15795	19544	30311	32650	31543	61620	9445	13701	16525	0	0	0	5579	15993	0	25696	21208	22653	32961	27981	0	50566	42950	23990	33334	17692	18450	25065	7345	39384	29208	23636	29590	29624	62858	9240	14972	17668	8799	19904	28476	46397	24987	0	16116	48635	15926	29152	11639	24240	14715	65895	35753	48386	13874	22830	48381	25813	26484	35726	10630	14335	0	27682	30054	25960	58408	74037	36216	21466	23022	7685	17641	44263	0	34315	20160	Lipid	0.26666668	1.4666667	0.0
22	C30 H44 O8	533.3109	533.3116	0.05218028	533.3109	82714	78571	78954	75667	96904	53812	79268	75597	87144	47847	53010	51041	73335	64103	73441	103978	116363	84833	121633	66941	53524	55671	67082	77998	73980	59642	85355	55620	85630	76795	68760	88052	92810	57205	58461	88553	103519	73820	121851	40540	55873	54123	2426	0	0	45550	54459	0	75823	67579	81543	76699	79887	308	124970	105367	60425	96544	50587	60525	91861	33687	97989	84773	58911	84550	73967	128633	52049	69811	81525	48282	55760	71451	92667	73520	0	57528	109447	49864	76245	43237	75342	45848	142067	96093	107482	52556	63709	108439	95506	107706	85193	32918	62832	0	80984	75966	80954	149863	145933	114450	50810	80883	38066	83721	110053	0	73982	91967	Lipid	0.26666668	1.4666667	0.0
28	C30 H44 O8	533.3109	533.3116	0.034377854	533.3109	24184	20205	25030	23670	35465	14778	29199	26260	29150	19585	20779	7266	36745	18512	21351	21678	21291	23664	47206	31493	24838	20497	20803	22050	39700	31560	25864	28864	33790	28325	19624	27876	38043	17381	29755	30661	36800	22586	19386	21926	14826	16557	0	0	0	17619	8742	0	23365	19099	27248	22138	24919	0	55160	42296	16415	27938	26983	9700	26097	19539	33326	30232	13818	28671	21478	22112	28762	40846	30635	13892	15540	29474	10631	23044	0	16081	36356	19229	17855	13869	24482	20678	45145	23741	41217	13568	16017	22035	31155	36440	33300	22006	12121	0	25284	25238	22535	52620	61105	35369	11138	30124	17605	22622	36841	0	20147	21985	Lipid	0.26666668	1.4666667	0.0
24	C30 H44 O8	533.3109	533.3116	0.078945756	533.3109	149194	142784	138329	131533	194101	96956	142340	126807	171822	113836	113463	86136	172074	109702	123341	162615	135296	143531	255420	154309	148044	105590	122181	135758	122436	156482	122021	116181	141901	135209	110548	149837	170443	112503	153333	155562	180054	115284	159426	113652	102146	95707	2657	0	0	90451	83086	0	144559	120337	141601	132451	144712	0	260610	170982	95130	169290	118263	78607	144541	78084	180634	165922	87147	151625	131477	155424	107577	172393	157173	91309	104345	120002	115634	119263	0	93934	170680	83191	124119	75546	129237	97215	227247	151602	175130	95721	126513	159268	167455	179791	171304	89081	116128	0	145708	145718	120497	209597	249082	187551	87576	160488	75303	124150	179594	0	116732	169140	Lipid	0.26666668	1.4666667	0.0
26	C30 H44 O8	533.3109	533.31165	0.095825955	533.311	120508	116206	123563	107692	151487	80252	112113	130333	152682	111153	107495	62530	153399	93921	123999	134257	100575	140475	235526	175577	140722	99954	104359	120003	136020	148048	107689	132319	156096	134212	108505	128946	163546	98928	164412	145461	171506	99602	98579	126399	92062	102989	0	0	0	104187	60644	0	110920	115129	120317	128730	124226	0	242550	173029	91057	135428	123042	58896	135099	84741	153923	139817	66106	126243	136244	108773	133040	174383	127516	82312	98316	138873	83715	111627	0	89878	138328	76409	101129	74256	126889	101767	199911	135624	145305	68089	99452	101460	162897	165433	153142	85130	91770	0	116422	135019	100842	195190	219948	188990	74767	161030	85902	101778	159810	0	101551	138557	Lipid	0.26666668	1.4666667	0.0
18	C30 H44 O8	533.3109	533.31165	0.034885243	533.3109	6441	6907	6096	5659	9379	2823	7254	1546	4022	0	0	3915	0	6250	4976	10421	17703	4322	9996	0	0	0	2723	5326	7232	1222	8463	2679	4833	7266	5468	5045	5178	4555	0	5514	6080	7804	18025	1426	1820	2281	0	0	0	1239	0	0	4872	4945	6045	5761	3498	0	9690	9004	5244	8605	2028	6081	4068	0	9833	6401	3340	5554	3924	19538	0	3233	1997	0	1602	7641	16039	0	0	4929	12940	2486	5276	1877	4918	2978	14817	7365	13668	2503	2178	16021	6157	3684	3717	1958	1947	0	6981	8632	7456	22043	25932	6522	5255	6009	0	5254	11012	0	7018	2987	Lipid	0.26666668	1.4666667	0.0
18	C29 H44 O7 N2	533.32214	533.3231	0.61264867	533.32245	0	1971	0	0	0	0	0	1797	0	0	0	0	0	0	0	1637	0	0	0	0	0	0	0	0	0	0	1246	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1787	0	0	0	0	0	0	1764	0	2437	0	0	0	0	0	1641	79166	20459	0	3446	0	0	0	0	0	1723	0	0	0	0	0	0	0	0	0	0	0	0	0	0	486750	0	0	0	0	0	0	0	0	0	0	0	0	0	1974	2310	0	0	0	0	0	85003	26974	0	0	0	0	0	Lipid	0.2413793	1.5172414	0.06896552
18	C34 H44 O5	533.3262	533.32745	0.8609299	533.3266	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23553	9977	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1472	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34115	1658	0	0	0	0	0	Phytochemical	0.14705883	1.2941177	0.0
26	C31 H48 O7	533.3473	533.348	0.005977766	533.3473	30229	25440	25435	26276	30998	16328	70587	25606	43470	8115	14307	12023	20213	27996	27353	30865	26375	24962	58617	17612	6327	13204	17965	21187	41986	20896	65752	24062	44601	31746	26467	30108	46180	22790	10928	41742	41465	27135	35688	14748	9043	22194	0	0	0	11605	0	0	29682	24939	26970	27523	32459	0	61078	47375	25409	38794	28550	14417	27319	14240	24293	30261	25383	27583	35773	33189	10088	10133	8037	13262	27115	41219	14134	29384	0	18222	32855	20478	24944	16702	39761	26185	60916	47504	43535	14401	24109	35357	39526	41936	31149	16742	13135	0	27122	27471	29500	59503	70422	51363	14502	35161	19496	25798	55332	0	33104	18358	Lipid	0.22580644	1.548387	0.0
24	C31 H48 O7	533.3473	533.34796	0.045877285	533.3473	12415	13560	11693	11331	16431	8965	32698	11791	15787	2558	3720	5302	8957	14867	12509	18142	20485	11079	25686	5682	4500	5298	8743	6725	21206	3704	26621	7431	14739	17102	10723	14079	16676	9572	4616	17299	21291	15789	24418	3699	3624	6274	0	0	0	4843	3044	0	13733	9201	14510	10829	17607	0	30204	21728	11531	19552	8940	6439	11120	4481	15696	16831	15254	9675	17115	25012	2841	2905	3594	5864	7767	13855	14397	15417	0	6955	21128	6529	11591	4385	20180	11931	27485	26148	25295	7351	9379	20202	17334	18353	16623	5964	5173	0	10998	15419	14419	29943	40743	22760	8298	12546	4398	14103	25211	0	15926	9045	Lipid	0.22580644	1.548387	0.0
28	C31 H48 O7	533.3473	533.348	0.0720343	533.3473	12196	8481	9297	12509	14663	5869	38622	12634	17139	4292	8280	3520	8585	8631	10456	11008	12496	9849	21006	6224	4886	5626	8011	9027	26269	6432	34028	11364	25341	13946	10408	12259	23758	9667	5706	17834	16764	12361	12110	6091	2764	7927	0	0	0	5908	0	0	12325	9812	9615	9377	11694	0	27668	17994	8257	15664	16835	3376	11393	7788	8801	13759	8258	10397	13555	17346	3614	6062	2256	5163	8873	14356	3667	10088	0	7040	17669	10725	8021	6781	17787	11121	28372	16505	28115	5074	9066	9927	17883	19601	14592	8749	4201	0	9584	10952	9886	31084	33802	27776	6264	14782	11506	11945	26335	0	14711	5920	Lipid	0.22580644	1.548387	0.0
28	C32 H52 O6	533.38367	533.38385	-0.00513636	533.38367	0	0	0	0	0	0	21735	0	0	0	985	0	0	1518	0	0	0	0	0	0	0	0	0	0	0	0	14405	996	0	0	0	0	0	0	0	0	900	0	2826	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	935	0	1984	0	1872	0	0	0	0	0	0	2647	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1286	0	1256	1373	856	0	0	0	0	0	0	0	0	1679	2304	0	0	0	0	0	0	0	0	0	Lipid	0.1875	1.625	0.0
26	C22 H15 O15 N1	534.05145	534.0523	0.2511363	534.0516	0	4140	3974	0	10408	0	0	0	10734	0	0	0	21536	0	0	0	0	9902	17092	0	0	6792	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3832	0	0	9320	13094	0	0	0	0	0	0	23680	15268	0	10314	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12142	0	0	0	0	5790	0	0	0	6718	0	0	0	0	7310	16750	10228	0	0	0	0	1961	0	0	0	28836	Phytochemical	0.6818182	0.6818182	0.045454547
28	C23 H19 O14 N1	534.0878	534.0887	0.30353534	534.088	7000	6069	8216	5770	8616	5505	1028	0	9149	7563	1855	1186	27569	3850	0	0	0	16660	13109	4917	10264	14638	3561	1984	0	0	0	0	0	0	0	0	0	0	8718	0	1863	1997	0	2297	4788	2719	0	0	0	9100	22220	0	0	0	6548	5128	7178	0	15616	8689	3812	1697	1329	1269	0	5101	20469	11357	1314	12986	3883	0	0	3007	1969	0	0	0	0	0	0	0	5313	6938	4050	7936	0	1122	15649	5928	3162	1902	2889	2058	1444	1548	2969	14354	15353	0	4731	6189	7759	5810	9986	0	0	0	11429	1840	7856	0	1209	22569	Phytochemical	0.6086956	0.82608694	0.04347826
26	C23 H19 O14 N1	534.0878	534.08875	0.19494179	534.08795	4377	6207	5594	4556	9831	8292	0	0	13513	5191	2210	0	21595	5584	0	0	0	17421	11011	5827	8682	13883	0	0	0	0	0	0	0	0	0	0	0	0	7702	0	0	0	0	3090	5426	0	0	0	0	10012	19682	0	0	0	7188	6567	6035	0	16892	10799	4419	1913	0	0	0	4266	21283	12728	0	11723	3729	0	0	0	4273	0	0	0	0	0	0	0	2155	8476	4912	7793	0	0	16068	0	2561	0	3118	0	0	1906	4500	10705	15463	0	3628	5223	5628	7640	7842	0	0	0	9200	1527	9385	0	0	26366	Phytochemical	0.6086956	0.82608694	0.04347826
24	C23 H19 O14 N1	534.0878	534.0887	0.22308616	534.08795	4064	4399	4139	4751	11003	6942	0	0	11059	2399	0	1122	25622	3037	2498	0	0	17656	10689	5085	6161	12971	4522	1102	0	0	0	0	0	0	0	0	1566	0	6473	1313	1418	1631	0	2227	6560	1582	0	0	0	15307	21651	0	0	0	5096	4939	5739	0	13641	12759	4976	0	1474	1327	0	4268	20055	10993	3853	8877	3003	0	2229	0	1922	0	954	0	0	0	0	1343	4864	10668	5257	11799	914	0	17847	6193	1044	2387	1967	0	0	0	1983	18039	12732	0	5201	6518	7262	9593	9877	0	1136	2108	18319	1295	7456	0	1911	21680	Phytochemical	0.6086956	0.82608694	0.04347826
18	C23 H19 O14 N1	534.0878	534.08875	0.2621579	534.08795	8124	4456	7508	6343	16007	6642	0	0	22886	0	6097	2061	33890	3990	1692	2419	3060	17997	16994	3844	14232	35954	5246	2088	0	0	1053	0	0	0	0	0	2648	0	8156	0	2675	2295	1473	5384	7858	5077	0	0	0	12743	37962	358	0	0	11628	8264	6425	0	27168	19344	7520	0	2885	1801	0	7176	35906	20195	7420	18519	4562	0	2042	0	0	0	0	0	1306	0	279	1161	5393	23006	5718	22262	1616	1952	26389	10609	5147	5011	8502	3845	0	0	4241	35726	26127	0	3704	8539	17090	22512	24114	2680	1385	0	27713	0	16099	0	0	29497	Phytochemical	0.6086956	0.82608694	0.04347826
14	C23 H19 O14 N1	534.0878	534.08887	0.21160066	534.08795	2297	3053	3972	4957	11599	2161	0	0	6844	2868	5054	0	16274	0	0	0	0	8576	7516	2984	4933	24090	0	0	0	0	0	0	0	0	0	0	0	0	9900	0	1515	0	0	1900	9596	2247	0	0	0	5935	20419	0	0	0	0	4396	2260	0	10133	11284	2967	0	0	0	0	5494	20507	10878	3379	9421	2123	0	0	0	0	0	0	0	0	0	0	0	3133	0	0	5162	0	1011	10225	2934	1474	1937	1560	0	0	0	2769	17260	8857	0	3123	2718	7627	12923	13869	0	0	0	19461	0	6463	0	0	16239	Phytochemical	0.6086956	0.82608694	0.04347826
20	C23 H19 O14 N1	534.0878	534.08875	0.26933748	534.08795	15422	17260	14000	10396	38138	14828	0	0	38558	7516	9382	4210	71952	18114	7642	3542	8874	52484	51392	11056	22226	44758	8902	0	0	0	0	0	0	0	2692	2750	6906	0	14702	0	4434	3982	0	7230	17598	8906	1212	0	0	29308	78460	1060	0	0	14402	15828	16398	0	35858	42508	15892	6278	4402	4452	0	18282	63606	42924	12874	36136	13766	2782	5752	0	3770	0	0	0	0	0	0	5532	19436	37290	7262	30472	0	0	56744	18320	8866	7786	10576	3968	0	4386	6442	73238	37956	0	13764	19228	34046	42680	37338	3622	4948	3478	51822	3000	40886	0	3828	64888	Phytochemical	0.6086956	0.82608694	0.04347826
22	C23 H19 O14 N1	534.0878	534.0888	0.24386363	534.08795	6830	6960	5480	4689	8648	9034	1646	0	14712	4428	0	1886	28729	0	1557	2540	0	19004	9447	2562	5369	16361	5176	2346	1825	0	1172	0	0	0	1105	0	1825	0	10783	0	0	2023	0	4737	7033	2257	0	0	0	13748	27877	0	0	0	3244	8014	7391	0	18430	19285	4508	1906	1365	1320	1721	6703	24071	15766	4061	10568	3911	1786	1685	0	1927	0	0	0	0	0	0	1736	5594	9537	5171	15267	0	1188	18723	5533	5368	4746	4664	1921	0	0	2143	28806	19323	0	5414	5967	7819	13119	12715	2123	1388	1387	21193	3683	14473	0	0	24866	Phytochemical	0.6086956	0.82608694	0.04347826
28	C24 H23 O13 N1	534.1242	534.125	0.14446723	534.12427	5081	3203	3319	4752	5940	3404	978	0	7454	14740	2500	0	11824	2266	2511	0	0	9856	6675	10763	10798	10394	2164	0	0	0	0	1966	0	0	0	0	1154	0	15041	0	1043	1525	0	5627	4614	0	0	0	0	13892	21240	0	0	0	5162	4524	3925	0	9899	3745	2244	0	1533	0	0	6398	11891	7320	2056	7962	1981	0	3360	8472	7783	0	973	0	0	0	0	0	3064	6226	2927	10720	0	2686	7467	4170	4155	2403	2259	0	1151	2549	2867	10114	15014	0	4433	5320	4151	4464	3175	0	0	0	14199	1712	5777	0	0	12904	Phytochemical	0.5416667	0.9583333	0.041666668
10	C24 H23 O13 N1	534.1242	534.1252	0.24173757	534.1243	4813	5921	4961	5259	7415	1906	1231	3127	9332	17727	12876	0	15752	3489	1230	2514	2208	8017	6620	9784	14515	17303	3237	0	0	3196	1689	0	1259	0	1073	1504	1424	896	21817	1064	0	1606	2414	6476	15263	2311	0	0	0	9745	22755	0	1796	0	6185	5965	2828	0	14088	7636	2113	1380	2320	0	0	4837	16979	10097	2921	8516	3869	3776	7855	5362	5888	2329	1121	0	2467	1380	0	1439	4574	5927	2774	7773	1106	3482	12334	3429	2452	3540	2578	2738	0	3383	2589	18210	14968	0	5799	7870	7255	9690	9050	2197	1176	3239	0	1328	6429	0	1485	13868	Phytochemical	0.5416667	0.9583333	0.041666668
26	C24 H23 O13 N1	534.1242	534.1251	0.1868489	534.1243	5253	4836	4624	4557	3994	5752	0	0	9068	17010	2594	0	17844	3518	0	0	0	18647	10768	7341	14589	11760	0	0	0	0	0	0	0	0	0	0	0	0	18162	0	0	0	0	6804	5201	0	0	0	0	15575	26407	0	0	0	6960	4789	5431	0	11450	8236	0	0	0	0	0	5395	18018	9598	0	10695	2159	0	0	7432	6647	0	0	0	0	0	0	0	4600	8950	0	13560	0	0	10326	0	3020	0	0	0	3297	3641	0	12646	19844	0	4260	7016	5802	5916	5005	0	0	0	13275	0	6638	0	0	18924	Phytochemical	0.5416667	0.9583333	0.041666668
12	C24 H23 O13 N1	534.1242	534.12524	0.29012865	534.1244	39268	37562	60772	44658	83862	35674	0	34758	44788	89434	44240	24474	252226	26626	32776	17412	9008	82942	112808	48470	146338	194654	61200	33424	17082	12336	22866	0	13046	20380	20048	20874	53380	28504	203180	16680	25586	27484	51508	76162	184466	23644	0	0	0	152256	325252	0	26548	28254	77502	56400	50216	0	136422	140438	36078	20460	0	0	0	117580	209768	97784	27409	83732	39790	9532	38048	24642	56196	28404	24740	23108	20642	17494	0	28148	41176	43964	46034	131056	16370	42224	110808	39650	40456	30034	32916	65226	20088	48204	39940	194266	122750	0	70014	70154	65646	89316	89936	38354	28460	29350	194892	32640	69476	0	30024	151848	Phytochemical	0.5416667	0.9583333	0.041666668
22	C24 H23 O13 N1	534.1242	534.125	0.21903704	534.1243	9390	10203	13184	11218	24322	12428	2139	1407	18454	38737	7321	2985	36230	4870	4683	2949	1932	29083	18605	22291	28505	40896	9726	2427	6000	3838	2089	4555	3552	1340	2970	0	2912	1734	36212	2961	5294	2686	0	13403	16822	3454	0	0	0	47259	55909	0	1744	1287	12213	17638	14568	271	27128	20947	7332	0	4320	1729	4082	19607	32108	22824	6435	20512	7636	1367	8409	5439	9734	1286	2012	0	1045	1371	0	2675	8918	26845	6930	33977	1698	11957	23307	13610	5211	4880	7131	2285	5743	7290	9238	39152	54781	0	10515	13064	19742	15522	19263	3456	1653	3357	37338	1962	17653	0	1749	33347	Phytochemical	0.5416667	0.9583333	0.041666668
24	C24 H23 O13 N1	534.1242	534.125	0.23375909	534.1243	5345	6745	6443	7977	9209	7423	1238	0	12722	21998	6601	0	29374	4563	3129	2176	0	18113	14943	12845	16513	18512	4604	3571	3655	2822	0	2543	0	0	0	1390	1188	971	19745	0	2447	1582	0	6261	5430	2320	0	0	0	22362	36102	0	1224	1268	3892	7017	5886	0	14279	10752	4082	1997	2481	1941	0	8652	24111	13027	3335	15911	3389	1573	5054	6936	6137	978	929	0	0	0	0	1700	5003	11241	4097	22182	1384	5296	15017	6732	3335	2598	2453	0	2400	1962	4023	17709	23857	0	7485	6457	9818	8382	9906	1732	1192	2442	26394	2062	8289	0	2313	21818	Phytochemical	0.5416667	0.9583333	0.041666668
16	C24 H23 O13 N1	534.1242	534.12506	0.19362232	534.1243	57834	70594	61820	72264	72934	45361	5064	27532	96848	269439	96150	14983	199798	28863	27461	9510	5642	100653	128272	135672	149784	182077	34169	26345	16503	39087	11519	39556	16872	3709	11704	5874	9134	14943	294137	4837	10995	21744	6456	106937	83071	14220	770	0	0	162809	199459	0	19769	4011	66675	23017	61703	0	112085	92769	32607	31292	8779	8910	14539	66561	155729	85723	24806	115838	35587	14742	48866	57936	47420	29866	16213	10302	4768	5321	0	12928	38302	113962	40422	178292	11231	55974	109845	56279	33125	30247	30329	0	12399	45494	0	175876	202559	0	70120	34301	65180	100542	105245	13567	20133	30335	157826	0	73403	0	23130	133298	Phytochemical	0.5416667	0.9583333	0.041666668
8	C23 H23 O12 N3	534.13544	534.13654	0.29653814	534.1356	6792	10390	1454	7162	5560	3000	2988	2774	8068	8704	5516	3650	18756	0	1938	2756	5742	8366	11068	1974	9078	17308	5004	4776	0	0	0	0	1898	2130	3132	0	5429	0	11364	2344	4670	0	2694	4868	16946	3414	0	0	0	9386	24004	0	1092	3512	4938	5856	5068	0	9592	9700	4480	2514	3074	3764	0	5702	22830	11024	0	11170	4646	6444	0	0	0	4086	2706	2624	0	3030	0	3520	4502	0	4702	8114	1632	1920	11730	0	3778	3208	5146	6654	0	0	6562	9400	6254	0	5344	6094	7492	12116	8106	3572	2468	0	0	3070	5694	0	1738	14820	Peptide	0.5217391	1.0	0.13043478
24	C25 H27 O12 N1	534.1606	534.1613	0.14827527	534.1607	9230	9786	9544	11249	11471	8099	1449	0	17381	40545	10212	2072	30659	3977	4871	4628	2017	20198	13340	25145	27738	23948	6263	6330	3344	12636	1762	7206	1872	0	3327	1644	2264	2305	32825	2197	3398	1406	2108	13864	12814	2527	0	0	0	36318	40859	0	2402	2529	12439	9094	6710	0	20856	11416	4827	3404	4185	2054	2744	17122	20725	16221	4616	13204	4010	0	11479	28490	23499	3276	1798	1389	0	0	0	2290	6301	10614	9364	18477	1996	7054	16823	8423	6593	5286	3507	0	4423	6285	8094	17229	34395	0	9485	12091	11820	7647	8199	4604	1806	4727	26452	4605	13365	0	3456	23034	Phytochemical	0.48	1.08	0.04
22	C25 H27 O12 N1	534.1606	534.1614	0.13370894	534.16064	21286	18049	28038	16710	25807	21595	4730	9026	30755	77860	29573	4598	58250	13611	8248	7172	5122	46192	30834	50569	54398	41944	14618	10654	9163	28085	4677	17032	7333	5347	7708	4640	10087	5828	82702	2919	7083	8010	5692	39218	22781	11692	0	0	0	80198	78321	0	5504	7192	16948	21064	15334	480	40816	25790	11304	9180	8358	3556	11913	30241	44349	28489	11548	23936	13265	2867	30524	42148	35357	5796	6179	4126	4046	5224	0	6889	12380	33415	12891	49132	5528	24841	34395	16780	12620	6556	6906	5084	13096	16325	17058	41905	64606	0	14459	22396	22901	27851	20443	7183	4517	6744	64236	10670	23413	0	7350	51116	Phytochemical	0.48	1.08	0.04
8	C25 H27 O12 N1	534.1606	534.1617	0.22604392	534.1607	3001	5325	5224	6076	3884	1121	1597	2770	4235	18862	11584	1976	9008	2028	2279	4406	2432	4179	5406	9786	16278	13273	3812	3593	1081	4601	1435	3290	2465	1850	1617	2820	3749	2149	27097	2181	2134	1857	2980	8324	12997	2294	0	0	0	8511	14060	0	1826	2445	5797	7101	2234	0	7439	4683	1616	4218	2996	4113	0	4679	10859	8465	0	6620	2865	5179	4425	4980	7834	2100	2081	1740	2613	3268	0	1348	6701	4917	3765	5613	2919	3894	6681	0	3023	1666	2173	6185	0	0	4517	9105	14646	0	5431	4426	4028	8643	6813	2854	2371	4020	0	3558	3436	0	3470	9558	Phytochemical	0.48	1.08	0.04
26	C25 H27 O12 N1	534.1606	534.1614	0.12893541	534.16064	4479	3950	5578	4840	9170	5649	0	0	11274	23649	4243	0	14362	0	0	0	0	12130	8829	13636	18396	10791	0	0	0	6411	0	3607	0	0	0	0	0	0	23344	0	2483	0	0	8742	7627	0	0	0	0	14965	22858	0	0	0	5080	4551	4485	0	10308	0	0	0	0	0	0	6087	12062	8586	0	6375	0	0	8586	15167	12862	0	0	0	0	0	0	0	5188	5545	3808	10852	0	5892	10170	0	3074	0	2499	2620	2428	5096	0	10334	19778	0	3891	7981	5379	5886	4675	0	0	0	10877	1656	7483	0	0	17577	Phytochemical	0.48	1.08	0.04
12	C25 H27 O12 N1	534.1606	534.1615	0.20659862	534.1607	28182	26616	15650	24080	19040	10114	10439	14771	25217	75391	38230	10971	36233	10046	14051	12973	15603	26444	25806	65393	68338	62042	15451	11957	7940	23337	9576	20576	10207	10181	13101	14585	20794	10943	113977	9883	13181	9150	16924	57330	51690	11228	272	0	0	59162	54709	0	12739	15462	22074	17917	14184	0	30837	14670	8001	21671	15117	15538	0	38304	45120	27287	6824	21410	12240	15322	28014	36780	35631	12793	12684	10664	10206	10747	0	10173	19499	29054	12777	34200	10939	28487	18701	11425	17677	10600	10619	23809	12617	20711	18024	47810	46982	0	26360	25392	19465	15628	18441	8703	8977	20178	30867	12681	15549	0	11442	33882	Phytochemical	0.48	1.08	0.04
14	C25 H27 O12 N1	534.1606	534.1615	0.1849505	534.1607	51821	42095	37818	45057	29476	23907	16254	25253	37357	149588	58189	17442	53568	19297	23389	26390	20185	41852	37834	92139	117129	117998	20870	36036	20508	47237	15056	39507	24563	21287	21813	27729	31742	19161	164546	19876	27506	20070	17982	82981	75666	22981	0	0	0	102738	98549	0	20417	23152	42062	45205	23270	0	49808	28615	20707	26222	34744	19100	28255	63581	57355	42661	16411	41018	21683	19474	49331	63620	58542	19882	20173	20540	16016	19540	0	17746	29709	52354	19904	58142	16607	49354	35700	21875	26872	17690	12139	24347	23519	39057	42189	65392	88410	0	49652	43792	28024	30658	30838	33546	17778	39832	87547	20414	27720	0	20015	49976	Phytochemical	0.48	1.08	0.04
16	C24 H27 O11 N3	534.1718	534.1724	0.1250718	534.1719	163166	156069	139585	145879	138355	79172	68530	132214	138443	456755	184666	78346	196780	60130	139753	149805	85158	158653	186483	307279	299181	259306	126229	162053	50741	112899	79346	113813	102717	92942	122305	109193	141168	52691	501904	146374	146587	108943	89789	235853	173560	71734	1294	0	0	272131	247538	0	144867	97266	154658	128388	104365	0	161641	123334	60647	132961	98411	72404	97899	179725	218693	138063	56531	167870	89960	75817	137099	210057	178426	145014	98554	90386	85040	87582	0	128188	125545	147822	111567	239165	89709	175283	137115	81934	127240	67086	80758	125709	104517	160291	54058	182192	281766	0	216122	166605	126716	111098	113580	110797	83812	128312	272220	108609	121637	0	56726	176260	Phytochemical	0.45833334	1.125	0.125
14	C24 H27 O11 N3	534.1718	534.17267	0.13380864	534.17194	25172	26690	27853	22179	12340	14855	17668	30439	33428	18693	10063	19778	29777	6368	22118	31571	24776	22846	26871	24195	24116	42396	26052	37104	23004	0	17944	0	30194	21762	20023	20861	37399	18225	34209	20049	28205	20848	27637	25022	22268	13841	0	0	0	32644	27360	0	23768	21496	25486	28471	15439	0	25952	18579	11169	36133	28713	10836	32791	25558	26945	20788	13971	21045	13865	21723	0	10730	11078	21570	17616	22289	17166	37222	0	20494	28452	0	22295	24123	19466	12885	16055	13452	27950	16698	16026	49836	24800	39234	56912	17571	22988	0	32408	30053	11890	14264	16315	25055	18846	24775	18093	27512	27072	0	0	21689	Phytochemical	0.45833334	1.125	0.125
8	C24 H27 O11 N3	534.1718	534.17285	0.19003937	534.17194	16391	16017	14708	16624	9469	7015	7384	16259	9777	17712	7571	12949	17887	3439	9612	15978	14709	9640	17484	17029	24234	32510	14567	19804	7011	2824	10197	3385	13429	11546	14320	13210	14469	10561	25058	11651	12462	8702	16450	20097	27756	8539	0	0	0	20370	30577	0	17743	11973	15001	17241	7983	0	13125	9205	6373	17123	10311	0	19804	14403	15449	12215	5938	13198	8993	22744	4531	7710	9663	11488	12712	10477	8862	10673	0	9646	15254	7632	11194	12688	8423	8748	12543	5631	15567	9683	8138	25125	0	17047	27504	12342	19620	0	17604	14942	8289	11417	10735	17369	8459	19363	15519	13221	9000	0	11002	13950	Phytochemical	0.45833334	1.125	0.125
16	C22 H31 O14 N1	534.1817	534.18256	0.08773613	534.18176	38899	55811	55006	52566	39035	43831	28450	63380	72032	55526	26844	27670	121457	17022	71047	35418	24167	95903	105328	80359	80103	86431	59877	50525	37703	10316	20920	16536	57536	46564	42299	33829	51445	29692	80667	46629	48511	41038	17982	51045	20828	39121	807	0	0	165725	141140	0	37662	47046	50941	47573	41642	0	134149	46865	25222	29771	62626	19743	58355	45847	86903	62806	23226	50675	37898	15150	16797	23722	17848	40826	38415	51771	25251	35326	0	40228	33947	57583	32473	126579	27077	22572	45718	42794	30303	24316	37475	0	21041	51332	91888	56944	78521	0	45515	66753	43260	34058	34750	46431	30840	47008	157676	35716	45488	0	23709	84495	Unclassified	0.6363636	1.4090909	0.045454547
12	C22 H31 O14 N1	534.1817	534.1826	0.12040571	534.1818	17445	14753	19087	20569	11955	13401	13142	25432	23008	20193	14129	17307	36366	6529	26514	21728	20545	41232	29753	38487	31984	37145	31252	28673	14632	6067	15223	13390	22732	19815	19968	13167	28833	18037	41378	20846	17638	20172	13339	24049	21409	17692	399	0	0	57945	94309	0	16463	22268	20759	13121	15963	0	52994	25761	11848	12879	24081	13562	0	24226	37985	25028	10327	24888	18757	16102	0	8627	10640	15320	20810	22665	14287	15730	0	19596	24714	17341	17611	43191	12074	11682	27540	16874	20199	9603	12611	16248	6327	14539	31197	32617	28003	0	21480	31512	19295	18273	22988	27655	16178	16205	65134	17129	26403	0	16576	34917	Unclassified	0.6363636	1.4090909	0.045454547
14	C22 H31 O14 N1	534.1817	534.18256	0.09916878	534.18176	42804	40183	42531	39176	34957	32066	28508	58463	53816	52137	19659	21795	69960	19528	55940	38458	22396	68349	66687	75567	67577	73249	52475	44355	26067	7932	18150	15166	37839	41031	31544	24743	41894	26075	66196	44397	33442	38020	22067	45950	32189	33368	0	0	0	130713	133939	0	36383	43490	35468	36066	28427	0	105950	42867	15986	29959	56516	14825	38513	45030	63800	58521	23046	39011	32014	15614	22500	14329	14563	33237	28523	47563	22997	25770	0	30150	41419	77622	28169	87445	22862	25207	35106	31389	29677	20986	31934	15507	14669	29663	54012	55224	64205	0	39693	55033	33961	28118	37219	46935	24022	42269	171840	26927	38817	0	23190	63084	Unclassified	0.6363636	1.4090909	0.045454547
24	C26 H31 O11 N1	534.19696	534.1977	0.12554368	534.1971	19763	19006	20938	19053	22610	13685	5417	7142	23498	59935	23154	4756	38667	9927	11368	15038	5126	32170	29398	48753	52947	23441	17542	16672	9974	40066	4403	17361	11829	6984	6101	7508	8038	10627	64908	9804	12749	9743	3211	39167	20955	8542	0	0	0	46791	34481	0	10015	6390	18436	20090	13318	0	27100	24594	8864	12658	6219	4120	11637	27065	35279	24323	7581	27251	11982	3471	37519	59866	52070	9624	10222	6870	6023	6118	0	7881	14754	13797	13084	27667	6651	21647	30495	13516	14222	10074	11052	5240	10503	16143	14553	18998	30166	0	16255	18532	23247	14561	17962	10962	5812	11041	25190	10046	17142	0	8556	44143	Phytochemical	0.42307693	1.1923077	0.038461536
22	C26 H31 O11 N1	534.19696	534.19775	0.116832964	534.197	49497	40243	41153	56442	44134	40256	15859	36451	50145	131728	62780	15121	74429	18404	29376	39672	12434	76285	84349	102616	116728	63564	30598	36454	33563	81872	11717	44629	27933	31074	26515	23885	29329	32425	168074	28931	30822	23531	18393	83641	43982	24021	2398	0	0	109348	73953	0	27560	26346	51888	46430	34501	0	64194	52689	26027	30465	32913	12787	36046	57697	77354	45257	25488	46722	26990	13839	76111	132693	101226	35784	22899	18847	16157	16985	0	22017	36509	32171	29340	55312	19833	55893	57114	32842	31461	26232	29017	17070	34851	45658	40514	39805	77446	0	48667	47259	43533	32362	40968	32151	19091	36761	61751	37240	45469	0	23394	70734	Phytochemical	0.42307693	1.1923077	0.038461536
26	C26 H31 O11 N1	534.19696	534.1977	0.12454383	534.1971	10289	8395	8594	9101	10438	5601	2020	0	9027	25712	8860	0	22205	6888	0	6331	0	15233	11729	23266	27904	9343	5546	7879	0	18772	1987	7437	0	0	2953	0	4209	2333	30097	0	6070	0	0	16755	9291	0	0	0	0	15886	18231	0	2982	0	8273	7859	7367	0	14058	10011	3177	3142	4192	0	5098	9117	17724	7729	4059	13782	3695	4396	17510	32267	37262	4398	3859	0	0	0	0	3917	8063	0	5322	9182	2534	9646	12914	0	5454	3088	3697	3636	5914	5404	0	9957	12459	0	10134	8333	9097	9008	7278	0	0	0	13401	5165	6296	0	3265	20147	Phytochemical	0.42307693	1.1923077	0.038461536
28	C26 H31 O11 N1	534.19696	534.19775	0.182193	534.1971	5078	5046	3658	4553	3811	2854	0	3319	4556	16069	5027	0	10139	2379	0	2330	0	5799	6346	12708	12510	5594	3817	4298	2732	13079	1676	5148	0	0	2357	1637	1518	0	14970	0	2076	0	833	8514	4632	0	0	0	0	6151	8961	0	1872	0	5077	3936	3239	0	4572	3886	1480	2886	1607	0	3326	4935	6600	4723	2297	5587	2835	950	10586	21037	16330	2316	0	0	0	934	0	0	1967	2989	3124	4512	1322	4088	5967	2779	1989	1504	2068	1657	2961	2189	3954	1863	6214	0	3203	3049	1466	3609	5609	0	0	2220	2644	1599	4037	0	0	8422	Phytochemical	0.42307693	1.1923077	0.038461536
12	C26 H31 O11 N1	534.19696	534.1979	0.16792803	534.1971	19536	30699	22482	27392	12513	7983	17176	31017	22210	68496	34445	17065	22983	7939	17265	20733	17396	18027	29329	61336	55918	47742	17813	29574	18637	23737	9587	18443	21861	21180	19624	16663	25338	17845	95633	20590	25634	19543	21432	49817	41222	13283	407	0	0	44270	37242	0	21578	23167	22713	29050	13920	0	27466	13487	8808	18394	21033	21300	21443	34763	25984	16920	6984	14689	13538	18071	22584	46312	36168	18210	17271	17038	12570	15976	0	14124	18010	31716	15235	26712	15930	24364	15428	9576	15622	9250	12775	35408	16595	23479	30817	25649	34457	0	25713	28697	13490	17247	14318	17255	12717	27514	30118	20658	12682	0	17477	22846	Phytochemical	0.42307693	1.1923077	0.038461536
8	C26 H31 O11 N1	534.19696	534.198	0.18704525	534.1971	9975	8455	6782	5918	4768	2237	2150	4206	5128	25588	9764	1540	7040	1939	3818	5512	5747	4379	6825	19336	20289	15123	3306	7255	3637	5777	3690	6232	4345	3919	3449	8065	6069	3296	29026	3831	6329	4122	4510	12970	13016	3027	0	0	0	11117	8342	0	6651	6684	8096	7551	4041	0	8212	5358	2856	5382	3981	3957	0	8041	9114	4430	1808	6170	3484	4195	5520	11079	8706	3881	5114	5395	2843	4448	0	3768	6459	4082	3329	4638	2801	8411	4886	0	4827	2182	4093	7718	0	7536	10815	8438	12589	0	7509	4964	5032	5082	3380	5158	2715	9833	0	7391	3636	0	4138	7847	Phytochemical	0.42307693	1.1923077	0.038461536
16	C26 H31 O11 N1	534.19696	534.1978	0.124057904	534.1971	71874	85455	69204	80619	40454	42735	41180	84149	54107	207423	88859	43046	87365	31658	64760	69659	45646	73595	82266	183221	168423	106700	63341	80137	46274	120152	29300	64407	51715	68680	59577	64273	69810	54967	222008	63263	75690	46190	43689	134237	99024	37806	1628	0	0	107508	92716	0	62289	61603	82646	77239	46308	0	76120	49452	28034	63949	67033	46377	80718	89715	78741	44505	27456	70854	40452	38875	94694	147006	111650	67514	65477	56386	37664	56695	0	46342	49412	68644	46332	63411	53507	97211	56732	35844	59163	36546	40398	61900	77611	74326	92439	66704	119098	0	78639	87095	46609	37351	44285	76164	38315	84558	74670	77745	42205	0	55884	77374	Phytochemical	0.42307693	1.1923077	0.038461536
18	C25 H31 O10 N3	534.2082	534.2088	-0.26031455	534.20807	43655	50131	55966	51642	23297	43849	39762	80934	62275	65778	17609	22605	91125	21288	92976	56615	18387	71851	86561	89434	51355	72051	64141	67566	77135	12563	31095	16244	74003	43564	60685	56892	62560	41178	79465	46704	77080	52099	21971	48824	8744	39463	469	0	0	90279	16381	0	66027	43922	40571	47945	36441	0	133969	47069	20682	51516	78814	13009	52479	47491	57207	44505	20310	47262	35735	19282	13332	25005	9259	58426	49563	66093	28785	29429	0	66161	47067	15842	45740	43619	44196	19307	44171	38360	42021	20101	35513	29175	52390	97184	107317	27771	50024	0	52653	57335	37414	28266	26053	59697	43434	59506	32600	43272	31031	0	42260	79378	Phytochemical	0.4	1.24	0.12
16	C25 H31 O10 N3	534.2082	534.2091	0.004539542	534.20825	21605	25827	22357	22229	11492	17766	28245	29317	43380	20041	0	26988	39196	9717	27897	34440	19477	19088	54248	23503	16250	60710	29794	41581	38083	0	43468	0	31015	22434	33680	46822	37024	23929	19642	26721	33143	22534	19903	27001	14080	18067	0	0	0	16107	9008	0	34571	26020	25546	30094	16515	0	19924	11974	14881	28760	33173	10269	36408	15974	16887	13071	10983	17472	19395	23204	0	0	0	26920	22407	23404	18635	23535	0	22440	29859	12832	22060	34032	20563	12796	10999	16258	26229	17796	17907	0	45192	44698	84231	11864	17065	0	23429	34356	12424	12897	13208	28067	18100	27456	15932	31395	15562	0	34452	22212	Phytochemical	0.4	1.24	0.12
12	C25 H31 O10 N3	534.2082	534.2091	0.13749817	534.2083	33102	37322	34489	37936	17795	17587	35967	0	16031	29219	19966	27110	19572	7525	34328	37269	45964	17408	30057	41228	24244	67781	31222	42962	44954	6755	28489	13436	47522	29290	32355	36117	0	41390	42788	35431	44722	36631	53441	44961	23172	0	445	0	0	45989	24384	0	35050	30999	30114	33383	22511	0	24325	18476	15525	49734	53999	27986	34420	22836	21362	17579	12144	21083	23727	53761	0	16576	13192	0	0	29273	20286	24868	0	0	37922	28871	32954	25558	31959	20433	13397	15760	44431	18355	23789	78639	49886	50876	81176	21771	28489	0	38671	35633	11288	18514	19574	44845	28313	39129	0	50070	14855	0	38748	25740	Phytochemical	0.4	1.24	0.12
10	C25 H31 O10 N3	534.2082	534.20917	0.14275123	534.2083	34043	31418	30702	28670	12385	12745	26313	38345	13520	30319	11794	24579	18507	5675	24548	32240	28201	17107	22819	25720	26890	42908	25970	50081	28687	4325	22333	10065	32559	25835	27311	36457	42913	25610	34840	34091	40871	22521	38173	33402	23558	12024	0	0	0	33240	23690	0	32088	28915	31129	31119	13040	0	21123	14458	13177	42344	22252	20079	37653	18904	15586	16618	8904	18716	18257	39827	0	12132	8507	26268	25918	24915	18492	25671	0	19820	29872	14928	23749	19305	20858	19751	11476	10336	29094	15181	15902	54446	40139	42458	63515	16387	26688	0	32963	32731	9149	14206	15147	36813	19330	38566	15601	29945	11955	0	31628	17209	Phytochemical	0.4	1.24	0.12
6	C25 H31 O10 N3	534.2082	534.2092	0.1377449	534.2083	12177	7576	7998	8950	4821	4152	5840	10523	5388	6727	3125	6305	6304	2537	5964	11455	9591	5682	4761	9382	11456	15477	8596	18068	6884	1098	5368	2335	7848	10372	9247	10268	13603	8404	11998	9583	10091	6363	15526	10017	11739	4361	0	0	0	8957	11238	0	9377	7678	9691	10405	3724	0	7219	3915	2871	15790	5593	8968	11432	6101	6220	5549	1374	5882	5441	16333	1672	3393	3040	6996	9578	6061	6216	7796	0	6096	9139	3942	7101	4212	5764	4770	2798	3345	10697	4773	4928	19390	7232	16006	22600	5630	9727	0	8770	7197	2742	5322	5461	9170	4918	11696	0	10995	3636	0	7295	5413	Phytochemical	0.4	1.24	0.12
8	C25 H31 O10 N3	534.2082	534.20917	0.12116232	534.2083	21147	20487	15686	22665	8211	7003	11732	21853	8694	20053	8592	13668	14497	3846	14208	23067	16836	11963	14734	22438	18557	34239	16484	31862	14741	2459	11560	5328	19522	16239	15132	20802	20049	16599	25558	18015	23217	13793	23401	24223	20388	9541	0	0	0	19985	18338	0	21790	19509	26113	17894	9468	0	15411	11332	7232	23413	15324	17481	22055	11278	12624	11328	6692	13954	9820	23617	4494	6660	4985	19244	16470	13928	12917	16836	0	14101	17826	10303	12898	12039	12713	11384	8990	7845	16664	9624	11464	32756	16349	33478	38600	16347	23206	0	19271	19381	7937	10385	8246	23855	11662	28606	9797	22783	9089	0	15852	10944	Phytochemical	0.4	1.24	0.12
16	C23 H35 O13 N1	534.21814	534.2189	-0.022141557	534.2181	38330	39412	37093	35243	20314	22612	26653	61483	43305	44087	16147	25689	60722	12754	65771	37113	17349	58166	59476	56527	43524	37327	57648	46007	59605	9212	19318	13327	58089	45175	54551	41740	43440	31581	57166	50885	48724	38929	10223	41678	16700	29766	542	0	0	62954	25999	0	46214	43651	37502	36444	26055	0	96099	32461	21795	39300	61828	13671	42188	33449	49476	44673	12351	39678	32343	14062	10689	20019	10918	48422	34790	56347	23303	40773	0	38295	29390	19159	26021	41850	31774	24365	36437	25006	30976	16787	25128	0	19711	50435	70070	19535	39627	0	40361	47305	25263	23228	23604	43815	29317	41966	47390	26937	26977	0	29031	43760	Lipid	0.5652174	1.5217391	0.04347826
14	C23 H35 O13 N1	534.21814	534.2189	0.004149906	534.21814	19220	17699	21984	18347	14512	14666	17566	39832	22300	20832	7605	15060	29878	6608	33415	24867	15093	26731	31144	31199	29208	20855	34179	35783	31095	6732	10876	9836	40373	29419	19573	28992	31684	20543	36171	34265	25140	24717	17732	21539	10035	20434	0	0	0	38482	15401	0	20642	32373	23265	17889	14538	0	45782	16900	9065	21350	33175	9324	35801	21277	25818	25759	11625	18222	12245	11879	0	10727	8221	22861	20990	36057	14321	23410	0	21258	24699	14744	20710	21164	16575	11990	22740	17327	21310	9863	12195	8600	13991	23074	34337	13861	21141	0	17004	34690	17447	13354	14102	36467	15068	34145	15283	19546	16925	0	20386	24220	Lipid	0.5652174	1.5217391	0.04347826
6	C22 H35 O12 N3	534.2294	534.2303	0.30723074	534.2295	7629	7657	4916	6670	795	1534	9226	7836	1170	2985	3134	16055	1306	1226	6132	11719	21469	1190	2211	0	3069	1536	4209	5719	2073	0	9174	2625	5114	11018	14406	12488	46619	8126	5039	8172	37843	6895	38629	0	0	1119	0	0	0	0	0	0	19856	9991	6586	8696	1018	0	555	0	1301	6457	0	0	7127	0	1960	0	1253	1774	2183	39232	0	0	0	11243	10661	6259	9973	10692	0	11334	4134	0	4616	631	0	0	885	1163	2290	1689	2481	1603	0	2981	5110	677	0	0	7947	6293	0	0	830	51033	15043	0	0	8562	0	0	4081	1592	Peptide	0.54545456	1.5909091	0.13636364
18	C27 H35 O10 N1	534.2334	534.23413	0.08476331	534.2334	982109	772020	796827	745593	641733	524318	587292	808554	591639	1412916	927939	540093	842465	333693	709053	828030	620073	679298	832647	1614186	1409340	817079	750220	1030626	593997	1300457	508440	696943	761832	714507	801221	785040	991472	658689	1329423	920442	778296	630542	663849	1005065	944410	442878	12660	0	0	1076064	664872	0	1037833	717015	737952	834254	543195	2868	928053	639116	427671	889022	726367	509598	839716	544641	832068	685092	334353	685818	516672	710857	1090452	1535011	1549644	726241	650503	766338	689937	940590	0	616897	904279	449952	739636	542298	580752	658491	776655	463504	737397	439819	476578	762899	791470	1006850	1222943	423276	663510	0	813927	761163	611751	584659	637677	848318	479493	940067	413211	738236	515457	0	654726	718853	Phytochemical	0.37037036	1.2962962	0.037037037
12	C27 H35 O10 N1	534.2334	534.23425	0.1623802	534.23346	10816	14421	10871	14553	5676	8304	10236	19659	7738	27112	15915	10540	7036	3415	14400	14830	9782	8233	12055	32073	34834	21948	9296	20377	14500	15752	6720	12643	16988	15889	13214	13015	16354	11097	47166	16111	13282	8286	18485	29649	20102	6783	0	0	0	22285	15907	0	14715	16552	14919	13085	5861	0	15269	6322	2078	18060	5983	10523	0	16908	9272	7095	2969	10172	10692	17546	0	28642	23847	16728	12186	9236	10565	11278	0	11219	10288	0	8711	11108	8752	13838	4659	6351	12495	6405	8864	26771	12336	18434	25083	7384	17387	0	15083	11045	5672	6164	8478	13885	7594	25495	0	15808	5166	0	15984	8715	Phytochemical	0.37037036	1.2962962	0.037037037
24	C27 H35 O10 N1	534.2334	534.2341	0.09788449	534.2334	167372	173036	158920	156510	192578	119284	51812	151120	195236	417758	194770	76066	281968	97190	219404	137190	63596	209140	260608	387712	357756	154312	144394	166410	122970	326932	46146	168310	133778	116122	122380	116234	147849	119866	499080	123632	176588	156100	68106	244282	153610	85870	0	0	0	213294	142626	0	119640	112240	177238	168760	134056	0	256248	173068	78940	123430	123896	52540	149422	152904	237708	162186	59970	188878	98460	73742	256952	546506	432698	210054	122908	104822	61030	95754	0	107130	140082	80840	143146	107058	87246	144676	215452	91622	146248	85326	88658	73084	135062	162858	179308	90670	180582	0	173650	177128	142294	146150	134838	125108	76266	142770	116490	134872	138742	0	83696	279448	Phytochemical	0.37037036	1.2962962	0.037037037
22	C27 H35 O10 N1	534.2334	534.23413	0.11196275	534.23346	101590	98493	96370	91029	109463	78047	46320	94138	106465	213430	111670	46401	118114	75681	74896	91034	48182	135853	142869	232421	203373	99885	80836	102661	74338	209800	47508	105370	87718	76521	73767	87033	91512	79888	234234	83086	102391	53570	44482	149888	96003	62522	2513	0	0	135835	98191	0	72302	76897	94099	94360	59899	463	120295	96966	52314	76718	72218	40171	93239	104870	112526	88642	44600	100350	59232	44952	174939	299328	229687	82903	68464	64302	44845	66668	272	61084	75203	45871	69006	69741	53674	96676	102904	63726	61659	48867	65619	51493	104943	110675	118297	66497	117456	0	75108	103647	77036	70388	82670	89424	48963	89403	90325	73273	86783	0	56985	127669	Phytochemical	0.37037036	1.2962962	0.037037037
14	C27 H35 O10 N1	534.2334	534.23425	0.14206135	534.23346	31456	27920	32693	34297	10286	14586	24671	35527	15967	50242	27457	16980	22614	8623	23912	43611	22849	16747	26700	62385	56555	43576	24087	35026	24508	35288	19285	25910	24728	32738	18679	30516	32388	23075	50319	30379	34142	22892	29888	42908	31007	15856	0	0	0	38300	28906	0	30339	26446	33908	28380	11736	0	24333	12864	9328	40352	26240	23895	29819	27802	19195	13611	11138	15257	16441	22807	24657	48332	33659	24079	22991	31491	23543	23408	0	22532	23061	0	21503	15452	19836	24945	14686	11138	22727	11710	17829	43376	35295	30034	38034	23699	36163	0	36877	28395	14430	11521	14632	29386	14070	43187	18212	28442	15608	0	24893	17928	Phytochemical	0.37037036	1.2962962	0.037037037
26	C27 H35 O10 N1	534.2334	534.23413	0.11581345	534.23346	16504	14644	14377	15185	20128	10796	3421	11558	19551	39239	16998	7272	34444	10212	11346	17371	6146	25662	28776	48076	46049	15907	11754	14444	8537	37219	3876	14225	6825	9157	9156	6102	13433	11888	42746	8533	13644	6555	7044	26369	21865	6731	0	0	0	18908	21226	0	7920	8244	22042	14198	12797	0	22972	25998	9690	13354	7664	5944	11907	16435	22203	20075	3433	27034	8707	7571	46861	69930	64545	17628	10421	10926	8025	6811	0	5494	18423	11395	10741	11703	5661	14676	20514	6448	13664	10547	10315	8656	8669	12228	17791	8366	23361	0	16965	19029	14466	17070	16822	12225	6054	15066	8206	9916	16669	0	5810	27890	Phytochemical	0.37037036	1.2962962	0.037037037
28	C27 H35 O10 N1	534.2334	534.23413	0.12988782	534.23346	7003	5380	6193	3529	9439	4802	1196	4906	6490	14326	6415	2767	13861	3034	0	5931	2862	7916	7271	14310	14214	3984	4047	8319	3142	21850	1960	5631	2750	3917	3478	3134	4144	3501	18524	3624	6348	2258	4290	8966	7605	2336	0	0	0	6950	8871	0	4790	3357	7728	3946	5088	0	5488	6455	1520	3863	2793	1146	5875	3476	7845	5215	2076	7262	3567	2898	17464	32535	30967	5264	3230	0	2845	1920	0	2678	4964	3983	2785	3199	2575	5987	6995	3169	4595	2078	2225	3480	4369	6342	4989	1726	6294	0	5854	5202	4932	5248	7370	4481	2188	5473	3056	3686	4564	0	1607	9335	Phytochemical	0.37037036	1.2962962	0.037037037
10	C27 H35 O10 N1	534.2334	534.2343	0.23513708	534.2335	10253	9935	12068	7537	4467	4868	4904	9279	5208	23520	7527	5442	6115	2129	7308	12020	7744	2473	10256	24181	22178	16823	5040	10363	7414	12711	4100	11248	11068	9400	6059	11176	10828	7851	28804	5835	9342	5890	7303	19279	12018	3070	0	0	0	12635	6188	0	9959	6418	8850	12851	4317	0	10235	3594	2356	11236	2624	5418	0	6926	6776	5451	2243	5732	3561	8311	7666	17850	11285	8941	5933	8892	7655	7432	0	4919	7626	6566	5791	5183	6584	9245	3809	2484	7796	4677	4253	11336	14019	12379	16823	7849	13344	0	9398	8332	5154	3148	3088	8788	5110	9574	0	8066	2696	0	4353	5419	Phytochemical	0.37037036	1.2962962	0.037037037
4	C21 H35 O11 N5	534.2406	534.2416	0.24115686	534.2407	0	1311	706	565	0	1303	0	0	0	0	3086	0	0	0	433	0	0	0	0	0	0	0	0	0	302	0	0	15088	0	0	450	0	731	0	0	0	592	302	0	0	0	0	0	0	0	0	0	0	0	0	1159	983	0	0	307	0	0	382	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	626	0	0	0	118112	0	0	0	0	0	0	328	0	0	0	63079	15976	0	14403	2862	0	870	1829	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.52380955	1.6666666	0.23809524
6	C21 H35 O11 N5	534.2406	534.2416	0.36243123	534.2408	919	2319	1559	0	0	1110	0	0	0	0	3812	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27502	0	0	661	0	0	0	0	0	816	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	779	70163	0	0	0	0	0	0	0	0	0	0	83173	19930	0	15885	4782	0	0	1288	0	0	0	0	0	0	0	1348	0	0	0	0	Peptide	0.52380955	1.6666666	0.23809524
2	C21 H35 O11 N5	534.2406	534.24176	0.43125692	534.2408	1886	1920	0	0	0	0	1126	1812	0	0	2956	1144	1244	738	2112	0	2572	950	0	0	0	0	1432	2066	678	0	0	24304	1974	0	1290	0	2446	2890	0	0	2018	1604	1192	0	0	0	0	0	0	0	0	0	1528	0	2144	0	497	0	744	658	0	1250	0	0	0	0	0	946	0	1182	0	1980	0	0	0	2754	0	0	0	948	0	1040	0	125192	940	0	0	0	0	630	1256	1106	1278	0	31942	12454	5860	15624	0	0	1746	1602	0	0	698	0	1448	0	0	0	0	0	0	1298	Peptide	0.52380955	1.6666666	0.23809524
12	C26 H35 O9 N3	534.2446	534.24554	0.30434364	534.24475	5776	2948	6104	9695	2276	5218	7424	0	4440	7883	0	2669	3640	2171	6939	5770	4952	3236	5192	11648	5521	11191	7418	11599	13166	1423	4083	0	9554	9521	6252	7506	10327	5241	10419	9346	9426	9180	5693	10548	5384	3086	0	0	0	7978	6104	0	7502	6993	8404	6064	4888	0	3692	5201	2335	10778	5344	0	0	3930	1776	1924	1592	3710	5503	5315	0	5646	0	5585	5212	8584	3506	4531	0	6974	7090	0	8604	7598	8810	6116	2625	4509	9377	2997	4182	19966	14280	15301	28584	3549	7288	0	8930	7448	1831	2880	3162	5537	6292	7863	0	10205	3549	0	12178	3768	Lipid	0.34615386	1.3461539	0.115384616
8	C26 H35 O9 N3	534.2446	534.2456	0.27100822	534.24475	5395	6876	8101	4841	1468	2854	5551	7943	2935	0	2434	5344	2227	0	7272	9441	3312	1669	3187	7146	6728	15476	6769	14040	10874	1423	4372	0	5188	6562	6043	7163	9278	6208	7789	6180	8299	8190	4379	6378	5735	1651	0	0	0	8222	3371	0	7168	6237	8714	7617	2885	0	3830	1287	2284	10757	2251	3657	13213	4276	1062	4013	1676	3141	2150	4501	0	4433	0	6147	4629	5920	4148	5800	0	5125	8398	4044	5541	3791	6948	4100	1293	0	9156	2573	2910	12803	0	11858	29801	7231	9742	0	8968	6952	2733	1209	0	8556	3557	10504	9491	10219	0	0	7754	1815	Lipid	0.34615386	1.3461539	0.115384616
8	C25 H35 O8 N5	534.25586	534.25635	0.10630308	534.2559	1391	1533	0	1282	0	1672	1176	1371	0	0	0	1023	1165	0	0	0	0	1075	0	0	0	2615	0	2167	1368	0	1608	8141	2245	1784	1394	2407	1939	1968	0	1284	2160	1763	994	0	722	829	0	0	0	0	0	0	1769	1676	1817	0	0	0	958	0	597	1784	0	0	0	0	0	0	0	1055	0	1029	0	0	0	1034	1592	2669	1164	0	0	1805	2189	53255	859	0	0	0	0	0	1078	0	783	3212	67099	20080	3260	4343	0	0	3724	2825	0	0	0	1606	866	0	0	0	0	0	2192	0	Peptide	0.32	1.4	0.2
10	C25 H35 O8 N5	534.25586	534.2571	0.27805245	534.256	2687	2386	0	3231	0	1384	2867	3075	1448	0	0	1055	0	0	2440	0	1730	1462	0	0	0	0	2187	3979	1987	0	0	16340	3766	2030	1858	2047	3535	2367	0	3359	3999	1183	0	0	2048	0	0	0	0	0	0	0	0	1844	3266	2171	875	0	2250	0	711	3862	0	0	0	0	0	939	0	0	961	1581	0	0	0	2442	1793	4174	1477	0	0	1217	2244	100568	944	0	0	0	1525	962	1035	1123	1326	2754	172194	45293	2461	9297	2144	0	2379	4033	0	1128	0	3623	1891	2537	0	2149	1123	0	1865	1497	Peptide	0.32	1.4	0.2
18	C28 H39 O9 N1	534.2698	534.2705	0.078260645	534.2698	48746	38530	44819	39846	28330	26946	30233	52704	27832	41745	37330	33991	32376	19930	34714	60352	49703	30743	48823	71606	67169	37524	42778	71600	39580	81972	33849	35280	53079	54288	40735	54979	53908	44947	44072	53556	46053	31140	47285	45825	41207	31606	853	0	0	37398	38058	0	46055	55391	41963	41360	28150	0	39472	23637	22598	44292	28987	32933	57031	30066	34330	30570	19939	27223	30795	45209	70516	73676	84655	37930	39455	51401	47596	56104	0	33672	44039	24893	41715	23057	34610	31997	39727	25177	45130	27151	30219	55854	49506	43372	73533	21573	44996	0	42602	51299	23090	23157	35580	56999	29448	59927	18333	38959	31545	0	37582	23082	Lipid	0.32142857	1.3928572	0.035714287
16	C28 H39 O9 N1	534.2698	534.2706	0.12515838	534.26984	13109	15301	16825	15742	9131	8765	12327	20490	8068	17363	10179	12271	7751	4919	16667	23243	16763	7212	12396	30804	20549	16223	16271	25730	13441	25495	13156	10467	13330	20368	20133	16631	18875	15711	17707	21363	17534	15109	18439	14627	16701	7126	314	0	0	19343	10522	0	26030	23257	15885	17772	8716	0	8579	7368	6376	17535	8811	11235	25980	9562	6772	6011	5791	7051	9595	23281	19317	20524	23180	14941	12841	25282	18696	18547	0	11378	17202	9977	11242	6893	11316	12021	10468	8201	18622	8258	8006	0	16752	11956	0	8029	17690	0	16449	15183	9191	9160	9972	21413	10128	18177	5618	23388	8750	0	15155	9403	Lipid	0.32142857	1.3928572	0.035714287
26	C28 H39 O9 N1	534.2698	534.27057	0.07345378	534.2698	34943	32627	34567	30016	39735	21677	9763	32718	41398	55422	40848	15488	47215	29767	23751	32735	14226	40507	45378	71325	72450	29862	23771	35796	27032	103556	11906	35843	28665	28970	24457	24346	30698	0	77010	28971	0	20298	18601	50320	45283	20950	0	0	0	32193	26406	0	26734	30818	33734	29963	30216	0	50733	41322	17917	31635	22536	12606	37047	26716	46502	34715	15332	41015	24643	15893	99905	129107	121753	31863	23932	18497	19183	23930	0	20046	34344	11148	26552	19006	19302	34181	50793	30418	28908	21474	23925	17199	32562	34723	34511	19782	28242	0	33589	41892	25268	42385	46405	30941	16197	29006	17204	26501	37251	0	21328	51197	Lipid	0.32142857	1.3928572	0.035714287
28	C28 H39 O9 N1	534.2698	534.2705	0.12667067	534.26984	8684	7192	9076	7082	13903	5495	3057	4286	9717	13733	7032	2804	13287	8243	4449	7479	4791	8183	12121	14757	19303	5824	4821	7359	3890	32633	3621	7980	4365	3869	5052	4629	7928	7105	18882	4939	7498	2793	5100	10847	10900	3352	0	0	0	6292	7137	0	6197	5229	11014	7040	8744	0	9472	7915	4666	6730	3367	2754	6329	5264	12175	6042	2152	9258	5110	5604	25642	40279	46967	5166	4622	3667	5548	5373	0	2607	7632	3827	5008	4258	3598	7343	12817	6025	10560	3701	3952	5217	8217	7663	4252	3759	5583	0	6402	8712	5077	11700	11538	5101	3161	6746	3514	7083	8345	0	2909	10105	Lipid	0.32142857	1.3928572	0.035714287
12	C28 H39 O9 N1	534.2698	534.27075	0.2832502	534.2699	11936	13528	6134	8390	3092	8195	0	16523	3000	19096	9922	4426	4360	2668	11858	11448	8962	3826	8258	14474	21550	0	7460	10956	10084	7244	6504	0	9048	12968	13130	12032	16092	8550	28516	14724	6750	4888	9948	13918	0	5560	0	0	0	8124	0	0	9912	5796	7694	8436	3688	0	5832	1794	1892	15258	0	0	0	5000	4996	4832	1664	4604	7428	11148	0	16414	7154	10962	12208	11600	12170	8438	0	5480	8364	0	3520	3222	0	12966	3340	0	7178	2226	3164	15660	24334	15761	14736	11544	13328	0	8742	8504	2440	0	4234	6826	5924	12514	0	12258	2936	0	9528	4448	Lipid	0.32142857	1.3928572	0.035714287
12	C21 H43 O14 N1	534.27563	534.2771	-0.100135736	534.2756	0	0	0	0	0	0	0	0	0	3187	5821	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1686	7788	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	71930	0	0	0	0	0	Unclassified	0.6666667	2.047619	0.04761905
16	C21 H43 O14 N1	534.27563	534.27655	0.21988842	534.27576	17916	7485	6618	13107	0	6864	10248	7257	4806	0	8043	9552	0	3894	8199	15218	15037	0	6954	0	0	6507	9003	12420	10401	0	10188	0	8664	0	5982	0	7479	1249	8874	12417	7539	11987	32465	0	10467	5088	0	830	558	3822	8991	531	12300	7386	6459	7152	4104	845	8910	5436	6396	7032	4947	8127	0	0	12000	6957	4730	4386	4113	39774	0	9705	12321	5795	5424	16734	17703	12078	860	9659	10314	0	14640	4188	15369	0	11748	11106	11694	5121	0	0	4085	0	0	7776	0	0	0	9786	6036	14292	11145	15336	4203	10695	0	0	12615	772	18600	0	Unclassified	0.6666667	2.047619	0.04761905
14	C21 H43 O14 N1	534.27563	534.2764	0.13266215	534.2757	0	0	0	0	0	0	4966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6190	0	0	2068	0	0	2442	0	0	0	0	0	0	0	0	4786	0	0	0	0	1473	848	0	0	1444	0	0	0	0	2286	772	0	0	1458	0	0	0	0	0	0	0	2624	0	2676	2830	0	0	0	0	0	0	4128	4154	944	0	5310	0	2680	3258	0	0	0	0	7086	0	0	0	0	0	0	0	0	1373	0	0	0	0	2742	0	0	4354	23100	0	0	1024	3704	0	Unclassified	0.6666667	2.047619	0.04761905
6	C22 H39 O10 N5	534.277	534.2779	0.10017225	534.27704	2213	0	1149	1297	0	3330	0	0	0	0	2543	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35549	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1174	3157	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	198599	0	0	0	0	0	0	0	0	0	0	144598	43261	0	22895	1730	0	1182	1334	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.7727273	0.22727273
4	C22 H39 O10 N5	534.277	534.2781	0.1870823	534.27704	707	683	0	0	0	4512	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9147	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	492	986	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	94678	0	0	0	0	0	0	0	0	0	0	49589	15370	0	5006	0	0	0	673	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45454547	1.7727273	0.22727273
10	C26 H39 O7 N5	534.29224	534.29236	0.38956437	534.2924	0	1701	0	1138	0	1246	0	0	0	0	1924	0	0	1637	0	0	0	0	0	0	0	0	0	0	0	0	1715	18846	0	0	0	0	0	0	0	0	1424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1519	0	0	0	0	0	0	0	0	0	0	0	0	1456	0	0	1579	0	0	0	0	0	0	0	0	0	0	0	94678	0	0	0	0	0	0	0	0	0	0	102911	15684	0	4261	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26923078	1.5	0.1923077
6	C26 H39 O7 N5	534.29224	534.2927	0.20834896	534.29236	0	637	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	597	0	0	0	0	0	9487	0	0	0	0	0	0	0	0	0	0	24658	5993	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26923078	1.5	0.1923077
8	C26 H39 O7 N5	534.29224	534.2928	0.26777905	534.29236	0	0	0	1123	0	2478	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1478	9084	0	0	0	0	0	0	0	0	978	0	794	0	0	0	0	0	0	0	0	0	0	0	1219	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	72572	0	0	0	0	0	0	0	0	0	0	76201	17600	0	3085	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26923078	1.5	0.1923077
20	C29 H43 O8 N1	534.30615	534.3069	0.09895675	534.3062	19146	16041	20925	19173	20310	14609	16896	25058	17240	11626	14598	16741	16903	8680	17902	33146	34986	18026	23727	20781	25892	5833	20650	21952	12947	38901	18853	10221	25466	25779	21227	24259	27858	17239	10861	28878	23216	14703	34541	10492	15207	16239	655	0	0	15830	12090	0	21346	23126	18082	19105	18825	0	19399	17708	11685	30228	11305	18087	24352	8551	11337	14416	14217	10017	16368	30213	26193	28262	42207	15057	19331	23727	35316	21920	0	15345	26735	13391	19437	9153	13593	11607	34580	18110	26749	13100	13801	32264	21941	18777	31567	10382	10546	0	20518	15846	13869	19890	23232	31600	14477	25273	8280	27061	26019	0	19193	9116	Lipid	0.27586207	1.4827586	0.03448276
28	C29 H43 O8 N1	534.30615	534.3069	0.07750823	534.3062	9844	10908	13211	11520	19371	4296	6683	6974	13510	9055	11555	3766	26539	7302	4547	4964	8181	6348	17241	10809	15414	7656	7336	6065	11068	34659	4847	12364	7875	8967	5719	8704	10767	6415	13814	9276	8577	7648	9255	9453	10606	5561	0	0	0	9360	6199	0	7068	7205	10445	10646	17844	0	18732	63348	8240	7360	6533	4334	10225	5986	11234	9742	4073	29907	8542	9795	27542	26990	42197	4761	4759	6884	3336	5463	0	4118	19798	8617	11168	4294	5790	10306	47144	13301	21581	4514	5309	7568	6416	9123	9351	4937	3743	0	11790	9847	15795	134183	121084	10537	4356	7502	5912	8059	26102	0	5934	7931	Lipid	0.27586207	1.4827586	0.03448276
26	C29 H43 O8 N1	534.30615	534.30695	0.09212129	534.3062	58475	48541	56486	50600	90901	38632	27799	64778	64009	62549	62004	31032	68150	35177	47089	67207	47986	70279	98551	105243	86905	45931	55876	72160	59259	158592	30384	67767	73024	57778	47780	49603	65202	49596	77383	78080	64035	40267	41673	68032	48733	48515	0	0	0	56631	45270	0	54783	55300	57850	54875	61473	0	95348	76602	37610	59608	46312	32117	64216	36889	67801	69656	24144	59496	48852	40404	137875	141152	146251	50056	49630	57179	33344	51715	0	39051	64683	35986	53469	28094	40615	55283	99717	52960	57893	40735	44566	0	57880	63525	70794	32583	39360	0	55683	68674	48491	85887	84345	80502	25718	71753	35077	52305	88194	0	43376	56322	Lipid	0.27586207	1.4827586	0.03448276
20	C22 H47 O13 N1	534.312	534.3126	0.32408005	534.3122	7622	10040	7292	11440	12696	0	17496	8104	6876	0	3890	5254	7178	8188	6910	12632	23114	6470	13024	0	5784	4288	4232	6280	8116	3554	9898	5378	6332	9972	3824	11236	6850	3206	0	10474	5716	8848	16158	4592	4056	3128	769	1523	577	2950	4310	1120	6722	5992	4868	5248	11030	697	9312	8326	5956	9880	5696	7428	7670	2318	11652	9920	3774	10466	8280	25168	5126	0	0	2964	3810	12646	16666	2798	714	4342	16568	8380	11612	0	8118	0	17984	11034	18508	6168	6808	12180	6230	7008	5550	3620	4032	824	8684	10908	5332	20980	28018	9688	7460	6860	3732	7466	15012	762	12528	10064	Lipid	0.59090906	2.1363637	0.045454547
14	C22 H47 O13 N1	534.312	534.313	0.32070547	534.3122	287682	255817	228825	234454	61428	70722	99533	64624	20083	277853	605270	31582	41462	207429	18750	72464	63768	31070	28762	196554	50871	182477	23222	142134	14353	18916	421570	544980	20117	39674	20141	26104	23409	13979	32331	37337	19898	25742	27728	320459	605402	73315	206374	12381	13599	711285	664517	30591	34762	63670	252804	263167	20331	22079	11921	7559	17621	166026	1525659	300166	1463806	509593	225023	14337	14754	139206	215138	107150	403967	252707	196228	30291	14390	30398	29362	40792	32944	14605	7668	788629	10200	26481	15965	9872	8698	17824	7964	45761	41173	134033	0	0	121421	258118	243992	20001	239034	316770	18188	7659	19591	75546	12536	837873	8524833	21869	13188	33712	9262	78264	Lipid	0.59090906	2.1363637	0.045454547
16	C30 H44 O4 N3 Na1	534.3302	534.3312	0.38002345	534.33044	0	2068	3516	2847	0	0	0	29884	0	0	0	0	2430	0	0	6486	0	0	0	20048	0	0	0	0	0	0	0	3299	4835	3120	2121	12631	0	3671	5701	4124	0	0	0	3577	0	2139	0	0	0	13371	0	0	17936	5363	1531	3727	0	0	0	3563	5970	14495	33008	13435	0	0	0	0	0	0	0	0	0	8760	0	10271	17132	17469	6325	0	0	0	0	8161	0	0	0	0	0	0	0	0	0	0	80613	9175	0	1346	3793	0	2714	4397	3031	0	0	0	0	54239	4649	0	0	0	0	0	Lipid	0.13333334	1.4666667	0.1
24	C30 H47 O7 N1	534.3425	534.3432	0.050268125	534.3425	22872	13204	20212	16218	34358	14257	16552	20288	26649	7637	15826	13345	20477	20040	16979	34008	35318	20736	39190	14104	15380	12186	15050	18849	17601	25120	15395	14641	24956	20954	15819	23419	29766	17925	7640	26801	29209	16348	32085	15432	14495	15711	0	0	0	10897	11086	0	22013	22956	16516	18761	29338	0	37944	26854	16042	23051	12689	17886	30396	8848	14365	21668	14989	16871	20395	35431	20837	16326	18051	11136	12985	22939	21936	20961	0	15554	25707	19734	17122	8020	15839	13264	53848	26994	31497	19742	17652	29509	26228	30173	22716	14145	21178	0	21131	19494	18758	33202	42847	36536	11416	24966	7762	19903	41073	0	19201	11994	Lipid	0.23333333	1.5666667	0.03333333
26	C30 H47 O7 N1	534.3425	534.34326	0.028328001	534.3425	31171	29351	31632	24083	63789	19214	21402	36517	42487	10719	23556	15610	27232	23118	23141	30336	39537	32159	52850	32512	26520	17303	25274	28449	31488	48700	21095	36421	42672	38469	30612	32066	48467	22556	19475	53079	35589	22771	32454	28859	23142	28414	0	0	0	22997	18594	0	32327	39160	32729	28629	47689	0	48797	50896	21115	33999	23974	16248	33194	17060	19576	31078	17463	26833	31620	35839	42102	34781	31175	16157	26272	33303	29414	31727	0	19596	31431	27485	22207	12832	27099	24048	85297	34508	43125	19079	29804	29701	31570	40795	27802	21360	19464	0	28224	31549	34691	56567	70583	50964	18896	45534	14122	27137	74134	0	29611	27908	Lipid	0.23333333	1.5666667	0.03333333
28	C30 H47 O7 N1	534.3425	534.34326	0.09116289	534.3426	6091	6011	8857	6104	17686	4825	9040	6023	8652	2615	6525	2240	5126	3696	3507	3594	7407	2117	9899	6759	3588	2585	2964	4423	10087	13133	7582	10440	9005	8316	5398	7180	11710	5377	2754	9362	9967	5850	8468	4638	4341	5883	0	0	0	4626	3184	0	6758	7467	5757	6232	11772	0	17280	15871	4948	5831	8013	3120	6216	3853	4988	8730	2829	7537	7513	5603	11818	4796	7642	3700	3443	6558	0	6534	0	4377	9641	7843	5342	3074	7918	9608	25095	9384	20432	3309	4298	4398	5274	8220	4533	8560	1901	0	6522	6066	10236	24592	33027	11965	4238	9663	4018	6119	24943	0	6397	3519	Lipid	0.23333333	1.5666667	0.03333333
20	C31 H51 O6 N1	534.3789	534.37994	-0.019312967	534.3789	0	0	0	0	0	0	0	0	0	0	0	858	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15365	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1121	37759	0	0	0	1049	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1831	0	0	0	0	0	0	0	Lipid	0.19354838	1.6451613	0.032258064
22	C31 H51 O6 N1	534.3789	534.37933	-0.14595456	534.37885	0	0	0	0	0	0	0	0	0	0	0	1546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2043	0	0	13996	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33064	0	3437	0	1587	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1217	0	0	0	0	0	0	0	Lipid	0.19354838	1.6451613	0.032258064
20	C23 H18 O15	535.07184	535.0727	0.25296506	535.07196	3292	9364	9014	9736	43708	12268	0	0	38664	0	4506	2116	74166	10796	0	0	0	38472	21176	0	4456	30875	5486	0	0	0	0	0	0	0	0	0	0	0	10054	0	0	2380	2626	2796	9634	4732	1598	0	0	8234	27860	1314	0	0	8332	17884	17198	0	34128	42374	14880	0	3212	1732	3630	7790	91756	38138	7534	43120	9246	2712	0	0	0	0	0	0	0	0	0	0	10550	15258	11718	17250	0	0	68264	9644	12786	8724	4798	0	0	3654	0	37892	17712	0	13286	8906	36366	55104	61232	0	2766	0	22234	3836	43806	0	0	85322	Phytochemical	0.65217394	0.7826087	0.0
18	C23 H18 O15	535.07184	535.0728	0.38956448	535.0721	4041	4998	6697	3244	21458	6365	0	0	19463	0	2954	0	39200	6655	1955	0	0	13539	13834	0	2430	15018	3750	0	0	0	0	0	0	0	0	0	0	0	8945	0	0	0	0	2774	5986	3271	0	0	0	4579	15696	585	0	0	3001	5780	8218	0	19542	25478	6812	0	0	1144	0	2572	48036	18333	7339	25718	5225	0	0	0	0	0	0	0	0	0	0	1153	6338	8097	4555	9912	0	0	35078	8541	6087	2727	3730	0	0	0	0	26028	5330	0	4621	5677	16198	28992	32321	0	1944	0	10794	0	23154	0	1871	36283	Phytochemical	0.65217394	0.7826087	0.0
26	C23 H18 O15	535.07184	535.0727	0.39274856	535.0721	4277	4204	3613	3127	8709	5105	0	0	10843	2121	0	0	27532	3178	0	0	0	13058	9990	0	0	8400	0	0	0	0	0	0	0	0	0	0	0	0	4210	0	0	0	0	0	0	0	0	0	0	0	8575	0	0	0	5727	3867	4567	0	12210	14723	3209	0	0	0	0	0	20505	8840	2927	8259	0	0	0	2564	0	0	0	0	0	0	0	0	3695	0	3031	0	0	0	15407	0	2065	0	0	0	0	0	0	7211	0	0	3225	0	5471	9302	10158	0	0	0	0	0	8078	0	0	24908	Phytochemical	0.65217394	0.7826087	0.0
14	C23 H18 O15	535.07184	535.0729	0.30952492	535.072	3952	0	2466	2980	12210	3020	0	0	12631	1747	0	0	19641	0	0	0	2269	9083	6283	0	2410	9287	1077	0	0	0	0	0	0	0	0	0	0	0	4979	0	0	1417	0	0	0	2293	0	0	0	3224	11374	0	0	0	4899	2595	5347	0	7438	9809	3925	0	0	0	0	0	28067	13748	4230	13250	1297	0	0	0	0	0	0	0	0	0	0	0	3584	0	2205	4931	0	961	19224	0	2990	1659	1063	0	0	0	0	15738	2744	0	5024	0	13479	26258	15294	0	0	0	0	0	10976	0	0	17641	Phytochemical	0.65217394	0.7826087	0.0
24	C23 H18 O15	535.07184	535.0727	0.2460162	535.07196	2234	1976	3906	3301	9845	3630	0	0	10822	4109	1575	0	29739	4079	0	1367	0	12541	10560	0	0	10253	2311	0	0	0	0	0	0	0	0	0	0	0	5142	0	0	1766	0	1769	3173	1659	0	0	0	2855	7082	0	0	0	2563	3845	6053	0	15080	11803	2260	1110	1307	0	0	2242	19587	9428	3911	11963	0	0	1480	0	0	0	0	0	0	0	0	1087	4733	4426	3589	3243	0	0	15907	6359	3166	0	2138	0	0	0	0	5799	7529	0	3599	2070	8189	12776	14081	1758	0	0	4870	0	9714	0	0	27094	Phytochemical	0.65217394	0.7826087	0.0
28	C23 H18 O15	535.07184	535.0727	0.36059174	535.072	3880	3012	3359	4503	10082	5065	0	0	9588	2365	0	970	21584	2564	0	0	0	13827	7827	0	3199	5723	2598	0	0	0	0	0	0	0	0	0	977	0	5980	0	874	1104	0	1347	2859	0	0	0	0	2709	7611	1337	0	0	4662	3045	5174	0	14069	10987	2024	0	1129	0	0	2500	19631	8947	2790	11428	3193	0	0	1878	0	0	0	0	0	0	0	0	2556	0	4143	3626	0	0	13331	4831	2955	1190	1487	1014	942	1809	0	5592	4771	0	4320	3464	7332	9321	10617	0	0	0	3318	944	8800	0	0	20107	Phytochemical	0.65217394	0.7826087	0.0
16	C23 H18 O15	535.07184	535.0729	0.33866554	535.072	2853	3332	2694	1756	18013	5876	1078	0	22651	0	3332	1455	38761	2651	0	0	0	12330	14959	1964	2701	18380	2713	0	0	0	0	0	0	0	0	0	0	0	4170	0	0	1249	0	0	5028	2970	278	0	0	4176	10441	0	0	0	2837	2914	8932	0	10308	20393	8321	0	0	0	0	0	43223	12621	5393	23192	4327	0	0	0	0	0	0	0	0	0	0	0	6305	7959	5383	9510	0	0	31721	3933	2890	3503	3470	0	0	0	0	16711	4411	0	5949	4117	19094	34232	27561	0	0	0	10493	0	18946	0	0	42726	Phytochemical	0.65217394	0.7826087	0.0
22	C23 H18 O15	535.07184	535.0729	0.48988423	535.0721	7222	14584	11294	10838	35542	11930	0	0	34404	5702	0	3098	51184	0	10788	0	0	26692	16184	5620	9982	27010	4266	0	0	0	0	0	0	0	2118	0	0	0	7252	0	0	2900	0	0	6226	3796	0	0	0	7466	19338	0	0	0	11522	14710	16376	0	23344	31122	12332	0	0	0	0	7324	59012	34222	10864	21562	7110	0	0	4130	0	0	0	0	0	0	872	5150	11034	13790	8720	11826	0	0	39622	15738	4620	3040	5004	0	0	11170	4110	28604	19796	0	6934	5900	22870	37786	45496	0	0	0	21706	0	23868	0	0	65622	Phytochemical	0.65217394	0.7826087	0.0
24	C24 H22 O14	535.1082	535.1091	0.34686178	535.1084	6378	5890	6453	7285	9707	6920	0	0	15446	13488	4591	2082	29342	6072	2576	1332	0	14086	15231	8671	6660	10801	3458	1283	0	1799	0	3038	1930	0	0	0	1578	0	15985	0	1439	3648	0	5630	3506	2080	0	0	0	13935	20465	0	1559	0	6742	4853	6355	0	19984	10186	3190	1705	1438	1202	1362	6268	22213	12939	4344	13461	1970	0	0	2863	0	995	0	0	0	0	0	0	7348	7288	5835	14694	1023	3558	16365	6843	4267	0	1791	1820	1849	3593	0	14570	21705	0	6340	5966	7691	13981	11217	0	1311	0	14724	1507	9487	0	1431	25147	Phytochemical	0.5833333	0.9166667	0.0
14	C24 H22 O14	535.1082	535.1092	0.24117883	535.10834	52324	67248	55802	63154	104928	43016	9246	10248	122954	121104	65650	15122	168616	20562	19870	27348	12448	76802	88014	43494	86380	136980	36388	14920	9324	8066	11972	0	4472	9176	9798	0	16896	10058	152017	6956	22428	25220	6870	35364	59954	22722	0	0	0	96416	170832	0	13050	7452	53564	49134	59862	0	97094	96126	36798	19600	18834	13698	0	42918	196452	91776	37712	127379	35246	11000	0	17234	31974	13532	8526	6382	8234	5594	0	13614	45054	99622	50852	97916	7294	20140	115654	39746	47568	27477	30196	25376	8720	26180	23888	181636	113583	0	60932	42908	92512	136576	113236	19494	16220	7072	151868	20596	95169	0	13482	134866	Phytochemical	0.5833333	0.9166667	0.0
10	C24 H22 O14	535.1082	535.1092	0.24995607	535.10834	14480	18064	13454	12068	25112	7962	2338	0	25656	16612	13382	6216	41896	5312	4718	7408	2856	18246	15326	10300	16232	27230	6638	3522	0	2796	1908	0	0	2244	2686	0	7486	0	46749	0	3462	4140	2806	0	11432	6678	0	0	0	14162	45966	0	4020	0	10678	13652	12644	0	23158	23650	6880	4272	0	5036	0	6842	43734	16170	7170	20644	7824	5468	0	3044	5994	2768	0	0	5725	0	0	3592	14126	9400	10616	12932	0	3078	34121	9170	12942	7456	5676	9626	0	0	0	43366	16862	0	11042	12952	23812	37023	27864	3060	1768	0	0	4032	23162	0	0	43748	Phytochemical	0.5833333	0.9166667	0.0
20	C24 H22 O14	535.1082	535.1091	0.3039882	535.1084	45434	38268	40248	44004	77092	38241	6076	3542	98664	90865	26830	6906	188442	36544	18374	6800	0	94640	81334	38472	61710	113320	25908	8338	13904	4340	4892	15372	4254	0	8734	5222	16814	4106	96230	5712	17246	18242	4330	27352	35818	15702	1258	0	0	110225	124702	990	5060	6022	47200	43938	49644	0	110302	75456	33606	13958	11820	9285	8252	42200	174721	98651	36198	86352	29046	5238	15723	13848	12202	6392	4058	0	0	0	0	9138	36674	69210	28754	104718	7548	0	96080	42406	33204	16200	21874	5888	12224	20716	11528	102313	101043	0	36120	38105	69342	82264	78104	10520	7718	7738	146489	10372	70700	0	8574	159936	Phytochemical	0.5833333	0.9166667	0.0
22	C24 H22 O14	535.1082	535.10913	0.36275038	535.1084	13883	15166	8500	9663	20041	17103	2723	0	29105	20841	7645	2669	41598	8156	4546	2075	0	31457	20511	11705	13507	35491	5321	2843	2231	1889	1478	3401	1540	1148	1972	0	3048	0	24931	1127	2871	3039	2349	10318	10272	3510	0	0	0	33240	31956	0	0	1682	11346	13330	13460	378	27416	23498	6597	1621	4951	0	2765	9171	42365	23085	7266	26354	5476	0	5888	8147	3785	0	0	1083	1328	0	349	2348	8907	14133	9397	30143	0	5649	25582	16697	3769	3070	5283	3011	4104	5457	3917	26990	28485	0	12025	11828	17878	21328	23243	3790	2827	1286	33769	2738	16823	0	3063	36230	Phytochemical	0.5833333	0.9166667	0.0
26	C24 H22 O14	535.1082	535.1091	0.21782035	535.10834	4553	5240	6596	4864	5941	6605	0	0	9063	11113	2974	0	17098	3562	0	0	0	9929	9283	6545	5742	9548	0	0	0	0	0	0	0	0	0	0	0	0	9483	0	0	3051	0	5117	0	0	0	0	0	7479	17734	0	0	0	4218	4301	6036	0	12221	7507	0	0	0	0	0	5472	18449	7239	0	10167	2886	0	0	4920	5605	0	0	0	0	0	0	0	3414	7095	3133	8033	0	2605	7509	0	3893	0	0	0	0	1893	0	7405	11480	0	5024	0	5215	7713	9002	0	0	0	10657	0	4570	0	0	20437	Phytochemical	0.5833333	0.9166667	0.0
8	C23 H22 O13 N2	535.11945	535.12054	0.24440394	535.11957	2958	0	0	0	4390	0	0	0	7964	7024	2150	0	10596	0	0	0	2522	2244	3362	0	4580	7070	2182	0	0	0	0	4320	0	0	1590	0	3042	0	6170	0	0	1720	0	2718	5504	1922	0	0	0	4212	21538	0	0	0	0	3812	1472	0	6752	5602	1350	0	0	0	0	2820	12662	7124	0	6516	0	0	0	0	0	1652	0	0	0	0	0	0	0	0	1442	4756	0	0	4282	0	2132	2766	2992	3072	0	0	3966	8084	7682	0	3050	2294	6290	8674	8720	0	0	0	0	0	0	0	0	14564	Phytochemical	0.5652174	0.95652175	0.08695652
16	C23 H22 O13 N2	535.11945	535.12036	0.16861154	535.11957	9455	8608	4759	7273	11158	7659	0	0	13737	14670	6171	2517	21659	3347	2272	2920	2416	15509	13914	13692	14892	30597	5967	2863	1372	0	2161	0	0	1558	1419	0	3576	0	11872	1729	6129	3261	0	12977	16495	4023	0	0	0	27869	53689	0	2228	2380	9091	8588	5986	0	18189	10862	5141	4058	2942	2741	0	11546	29287	13936	4834	10436	5222	2868	5681	0	5341	2189	1384	0	0	0	0	1957	4055	22874	4102	31134	1268	3161	11234	3581	7508	3979	3515	0	3161	6178	0	29351	27196	0	8641	5685	4525	10313	10033	4928	2624	3019	36616	0	6135	0	1647	25405	Phytochemical	0.5652174	0.95652175	0.08695652
18	C23 H22 O13 N2	535.11945	535.12036	0.32344627	535.1196	6375	4671	3510	4692	7772	3103	1410	0	10972	7413	2479	2036	18884	2330	1803	0	0	11228	7410	3832	9316	24041	3228	3167	0	0	2128	0	3171	0	1918	0	2358	0	8885	0	0	1855	2514	9542	15308	1506	0	0	0	22143	33091	0	2774	1678	4344	4466	6336	0	15711	9558	2757	3738	3431	0	0	9206	16938	9610	2744	9810	5063	1508	0	3412	3533	1862	0	0	1726	0	0	2722	4186	15536	3749	22690	2118	3508	10786	4283	4189	3386	3664	3052	0	3017	9167	19822	18618	0	4075	6223	4049	10164	8265	1495	1494	2286	26484	4016	4310	0	1681	17181	Phytochemical	0.5652174	0.95652175	0.08695652
12	C23 H22 O13 N2	535.11945	535.1204	0.20322715	535.11957	5534	3847	5026	3513	7598	2401	0	0	12760	9628	5680	2896	23523	1233	1733	1583	4721	9544	10103	5574	9397	18546	5745	0	0	0	0	0	0	0	0	0	4446	1409	20840	1721	1751	2430	0	7867	32255	3873	0	0	0	18843	53302	0	2215	0	6575	3850	5264	0	13020	10257	2882	3368	0	0	0	12038	25911	12836	2465	10093	3224	0	0	0	2697	1377	0	1310	1324	930	0	1589	4053	0	2708	16898	1055	3442	11326	2471	2957	2698	2263	9593	0	1846	3714	28110	13351	0	6601	6500	7469	12483	9085	5180	1640	0	0	3333	7702	0	2154	22444	Phytochemical	0.5652174	0.95652175	0.08695652
10	C23 H22 O13 N2	535.11945	535.1206	0.33466122	535.1196	1815	3971	1813	3440	4327	2216	0	1428	7285	8177	5805	0	12093	0	1052	0	2216	6117	5570	4222	9057	15756	2064	1666	0	0	0	0	0	1302	0	0	0	1291	8997	1372	2050	1306	2090	5269	12756	2103	0	0	0	8736	26142	0	0	0	1884	2726	2485	0	6473	5850	2743	0	0	2152	0	3396	14527	7840	1827	5528	2664	1529	0	1356	0	0	0	0	1475	0	0	0	1584	5739	0	9631	759	1526	8165	2369	2057	2643	1624	3286	0	0	0	12975	8984	0	3522	3494	2924	8890	7281	2343	967	0	16884	1396	4614	0	0	17975	Phytochemical	0.5652174	0.95652175	0.08695652
14	C23 H22 O13 N2	535.11945	535.1204	0.23693526	535.11957	9844	7336	7130	9034	12283	3169	0	4595	12181	11166	4795	1377	29075	4589	3987	2913	5846	9168	12204	7453	18898	42210	3169	3705	0	0	1019	0	1470	0	1472	0	0	4199	18935	1853	4074	2528	0	10425	18027	4426	0	0	0	32330	70780	0	2429	1894	6476	5725	6290	0	15084	12800	4936	2984	0	0	0	13257	28516	13489	4355	14203	5243	4445	0	2684	4613	1420	0	0	2004	3065	0	1780	3613	16153	3968	25286	1319	2666	14728	5072	5528	5427	3769	0	0	5285	7253	37030	23396	0	11207	9494	8575	14427	13625	4858	4297	0	27562	3535	8651	0	2057	18922	Phytochemical	0.5652174	0.95652175	0.08695652
14	C16 H31 O16 S1 Na1	535.1303	535.1311	0.64232105	535.1307	4141	5416	0	2835	5211	2927	0	0	8594	30230	10697	0	8934	1564	0	0	0	7217	2671	7490	25900	10295	3010	0	0	3587	0	0	0	0	2609	0	3363	0	37552	0	2931	1670	3041	6861	9784	2038	0	0	0	7469	15445	0	0	0	3280	0	2882	0	6038	4528	1560	1723	0	0	0	4607	8046	6159	2780	4877	4492	3231	0	5228	5184	1011	1086	0	1364	0	0	1173	2577	0	4597	13300	0	3757	6548	0	3099	2342	1930	0	0	0	2589	14338	12167	0	4105	2861	3524	3854	5912	0	2246	0	0	1492	5287	0	0	10579	Organosulfur	1.0	1.9375	0.0
14	C25 H26 O13	535.1446	535.1455	0.18377842	535.1447	64390	69777	63995	68846	57824	44211	29315	39342	76546	174067	97523	30557	90568	30403	36392	43597	26547	76679	73586	119043	106335	160501	40783	46595	24382	33525	30697	49698	33470	31555	32093	38888	47182	25938	211265	26788	38054	33343	32242	81510	90561	24384	0	0	0	139511	201184	0	41857	28650	63367	71392	38360	0	83470	46506	30800	38113	43404	34846	47837	69675	100017	63036	30045	85375	44920	25401	65313	66061	68105	37330	28590	27924	21326	28430	0	27261	56287	75304	48368	124761	22887	44724	55042	35436	47217	30481	33980	36054	29706	43682	41545	125175	117781	0	74847	59188	63761	57248	62999	43420	28079	47678	167933	35709	56075	0	26592	88905	Phytochemical	0.52	1.04	0.0
12	C25 H26 O13	535.1446	535.1455	0.18451414	535.1447	31504	34057	27714	31494	24368	17714	13795	22518	37773	73414	48775	17484	33834	11384	16112	24621	16070	26808	32537	62938	45213	78207	21968	20008	11244	16261	16147	26550	13716	15944	15896	16233	19044	17451	98244	15263	16758	17227	28892	42543	61410	10080	373	0	0	55690	107677	0	16023	14293	34615	38453	21099	0	35464	23719	13360	22163	23669	12640	17991	24614	49069	28814	11275	32267	17373	19835	16784	32565	30846	16370	21542	14629	15316	14111	0	15416	26388	28277	26245	98252	14350	22118	29531	15443	23815	10722	16506	29850	13669	20516	17291	65884	51957	0	25635	32955	27463	24940	28328	19378	14874	20801	77353	19140	24703	0	14842	39431	Phytochemical	0.52	1.04	0.0
22	C25 H26 O13	535.1446	535.14545	0.31479946	535.1448	27989	22112	25667	27717	30698	24630	5422	6117	51875	77162	25373	6756	59885	16746	15481	7867	3810	45267	32258	46504	39131	51152	13789	8798	13228	15873	5377	15111	6877	6973	7413	6191	10170	6035	81910	6762	13266	8804	5681	36232	18511	6941	0	0	0	83247	74479	0	11392	9870	28136	27137	24252	271	46202	27547	13104	11338	12144	4943	12009	27211	59898	32701	11458	39809	13168	4874	21311	34782	23436	6117	4736	5768	4917	4327	0	8467	21378	23765	16818	62049	7379	24714	29309	23432	16869	9135	10617	3580	14416	19127	13293	44228	50822	0	21161	26262	29858	28566	22222	11071	8273	9780	61123	9265	26096	0	6935	65087	Phytochemical	0.52	1.04	0.0
18	C24 H26 O12 N2	535.1558	535.15674	0.22804761	535.15594	19742	17564	15962	21347	17109	12077	10491	19398	18638	43107	8680	7497	39994	7275	12063	10703	6957	21319	23321	34707	29163	49318	15980	13188	10180	6819	6726	5625	11330	8464	13472	10480	18327	6910	47060	11020	16432	14434	8347	39450	20667	9360	377	0	0	48550	43794	0	7116	8673	20975	20574	15030	0	22820	17106	10846	16167	17572	6084	11587	25534	35328	21903	8758	22417	11599	11749	6807	8012	7497	12638	9085	9396	6235	6655	0	6125	12900	18938	14098	41072	10018	14336	16167	9354	17724	11362	13445	14563	16590	20499	29219	25113	39663	0	20358	14961	13237	12011	14153	17088	9651	10846	40147	13831	13231	0	13488	33467	Phytochemical	0.5	1.0833334	0.083333336
8	C24 H26 O12 N2	535.1558	535.1569	0.25371373	535.156	9684	11789	6598	7570	7283	3327	3824	5608	7189	17884	10461	6344	14219	1600	2954	8671	6321	8061	10749	16486	20969	23333	5569	5907	2346	1377	4002	1673	5165	4533	4581	5929	8143	3827	25869	3821	7340	3770	7863	14533	21737	5461	0	0	0	19291	39450	0	6422	4494	12128	10308	5111	0	13445	8344	3090	4440	3721	8038	7866	9942	20473	11191	3462	10623	5417	8271	5670	3956	7651	3919	3385	4627	4646	3058	0	5433	7416	10814	4701	12285	2757	3933	8013	0	5310	4814	5170	10417	0	0	12797	14112	17810	0	10852	8701	6977	13362	10257	5812	4652	10001	10164	5119	7707	0	4059	12592	Phytochemical	0.5	1.0833334	0.083333336
16	C24 H26 O12 N2	535.1558	535.15674	0.18388692	535.15594	34407	31078	34125	33892	24659	21909	11683	22763	33280	58322	24361	15048	51519	6944	21723	15374	10468	33591	37168	60195	45446	71278	26688	28862	18367	7096	11664	13773	17769	14204	21553	21634	25582	17485	87599	19181	28112	16977	15810	54710	34222	14616	493	0	0	76678	69935	0	24281	16773	28764	25637	20669	0	45968	26222	15667	26848	20052	17303	24558	39179	43876	31561	8765	34375	26586	17896	14857	21535	18935	25799	21781	15980	14898	17003	0	14354	25546	33575	17088	57224	15000	27302	26288	19106	23122	17366	17305	0	19700	31132	41412	41785	61981	0	32876	34368	20171	21421	26985	24695	12352	25020	56129	26574	19105	0	17344	55602	Phytochemical	0.5	1.0833334	0.083333336
20	C24 H26 O12 N2	535.1558	535.15674	0.27372476	535.156	6887	10068	9224	8493	8397	8235	3032	6242	12272	19647	7070	2942	19355	0	4687	2715	4569	9169	12543	15721	9771	27406	6620	10523	8329	2850	2566	3673	4818	4513	5929	4459	7060	4949	19043	4366	13535	4332	4219	17347	5442	5656	578	0	0	25127	19020	0	5043	4542	9431	10095	5546	0	12356	10697	3768	6190	6557	3092	5197	9499	14379	10197	3167	9126	8397	2775	2453	4746	3517	4661	2699	2957	5225	3429	0	5108	7629	12127	5742	21898	5609	0	8322	4014	6455	6329	4559	2030	8720	8965	12881	13667	16631	0	7475	5428	5774	7860	6149	6006	5616	5795	23980	7888	9709	0	5512	17905	Phytochemical	0.5	1.0833334	0.083333336
22	C26 H30 O10 S1	535.16327	535.16425	0.44793347	535.1635	12951	21820	8283	20300	7432	10303	1686	5031	18966	83760	29546	1788	12098	0	8860	6618	4113	11108	12677	32050	51656	55490	8244	3158	13126	28962	2249	10362	3332	1760	3217	0	0	3884	57953	1789	4582	3255	2221	52964	27140	4500	0	0	0	33698	34124	0	1240	0	23330	11567	8825	0	15887	5294	3764	3861	4968	6288	2753	37410	23524	7089	0	10094	6422	3811	15754	34928	52906	1868	1774	1715	2363	0	0	2783	11032	13452	7744	22560	5783	27854	21522	5814	15372	4765	5821	11344	28866	32026	21044	52380	51466	0	19700	19200	7678	9883	5251	4087	2201	16182	24774	4367	7647	0	2752	21878	Organosulfur	0.3846154	1.1538461	0.0
26	C26 H30 O12	535.181	535.1818	0.29459268	535.18115	12840	9544	10070	9680	15023	10787	1631	5934	15759	38338	7887	5431	25988	6478	0	5809	0	18289	13547	23145	21260	13176	5034	7742	0	11713	3314	8418	0	0	4297	4542	5690	3421	30211	0	6159	5316	2459	15196	9900	0	0	0	0	18879	20018	0	6384	0	13976	10902	7731	0	17679	9615	4335	7439	8027	0	5334	10454	25352	12113	4654	15390	4969	0	12047	27401	18249	6529	4706	0	0	3035	0	0	8856	5979	9455	15542	3515	11835	16650	6647	10190	3331	3642	4110	8148	6865	5752	10249	15440	0	13926	9149	9025	11528	7939	0	4203	7927	16253	5042	9742	0	3928	24422	Phytochemical	0.46153846	1.1538461	0.0
8	C25 H30 O11 N2	535.19226	535.19324	0.16875216	535.1923	21295	12951	13130	17162	8402	5667	6336	13436	8803	30930	9107	8044	14235	2608	9135	15587	7308	11352	14616	24326	27696	32055	9398	16499	5469	3383	7599	11528	8686	8440	9483	10279	14539	7956	50008	12969	16629	7325	11437	24590	25320	5306	0	0	0	23297	22992	0	10424	9469	15891	14946	7061	0	15456	8298	5482	10734	8255	11895	10911	11626	15211	9161	3077	13462	8616	10558	5327	10303	10311	12158	11823	9653	10841	8859	0	6941	12698	10206	8257	12202	10407	11467	6730	5544	11505	7467	6492	21369	13866	15779	21205	16118	24643	0	18290	17032	9053	7752	8840	12976	8445	22301	9043	10556	6194	0	8698	12695	Phytochemical	0.44	1.2	0.08
18	C25 H30 O11 N2	535.19226	535.19305	0.10929507	535.1923	35956	28814	32045	29452	22032	20217	22264	35089	28899	74045	21928	12341	36190	13076	29252	30581	12785	40815	34110	62234	35899	52340	28061	36119	33155	7289	19342	22980	29896	26831	29520	28993	45350	38018	90362	31914	49863	23313	14394	57750	24267	19678	691	0	0	52149	23741	0	33481	27635	36499	35755	21272	0	41828	22245	15467	30191	35913	11504	31104	33584	35661	27958	11340	31317	19156	17210	7318	26064	13524	29809	28125	24322	14087	23198	0	24124	25975	24313	20394	32063	29763	30652	24012	17775	27537	17780	17684	24551	46265	57689	66204	26337	50737	0	23401	32308	14017	16437	16140	28424	19353	37552	33556	34032	15172	0	25238	37350	Phytochemical	0.44	1.2	0.08
16	C25 H30 O11 N2	535.19226	535.19305	0.12166391	535.1923	50518	49486	51105	47367	34752	27765	40166	57041	33328	94188	44312	23892	58690	11857	45583	54667	22462	52646	58137	83536	71773	84663	43770	60156	46875	16632	29451	30074	54209	42591	47258	53913	66052	41807	138340	53094	68502	39073	31903	79624	35117	25010	400	0	0	80996	54233	0	54001	38355	50697	57401	26687	0	49551	25961	20733	43629	63864	26626	62294	50317	48325	42139	16720	37343	33010	27735	10964	37897	22674	56877	41158	48902	24784	36921	0	36690	36232	44651	34746	45694	43557	49004	29783	22049	46414	27887	29354	61624	63982	83267	119644	50817	71073	0	47397	50741	16179	24245	33484	55083	27530	65526	48769	71904	26774	0	35208	46175	Phytochemical	0.44	1.2	0.08
20	C25 H30 O11 N2	535.19226	535.19305	0.1978891	535.1923	12314	12483	16352	10310	10415	7346	9163	17314	11654	25934	8833	6262	18192	6745	8925	10661	6085	15337	11620	24596	20807	22080	14586	18843	16368	2702	8932	7155	10300	9951	13220	11776	21473	13354	35095	5652	15252	8411	5520	24064	6902	7383	0	0	0	21667	10650	0	11710	7180	15745	14569	9635	0	19094	8212	8043	12328	15847	5002	15455	19417	16319	11617	3262	10775	10549	5430	4417	7589	5187	15049	11203	10482	7256	8298	0	11003	13021	8603	9469	13125	12621	12965	7403	6816	13701	9833	13196	13431	15375	17354	38110	9248	17367	0	12707	10673	5804	10412	6815	14245	7073	10301	16261	14957	9049	0	16240	20971	Phytochemical	0.44	1.2	0.08
12	C25 H30 O11 N2	535.19226	535.1931	0.13845412	535.1923	43254	44972	44952	41185	19736	19266	31881	44670	27421	75020	37352	25252	30772	10857	30465	32518	31705	29845	37737	73673	68697	90062	31433	47528	27772	18479	23108	25058	45452	28256	39404	36008	47279	30357	104780	38494	38524	30608	35989	82795	74204	21317	656	0	0	71489	45756	0	37135	35369	40585	41800	23211	0	35132	24773	14232	40625	49942	25656	48622	50090	37864	20864	12172	28544	19067	30897	0	41766	27736	38170	31421	34507	23234	28978	0	30929	37644	24613	28274	36769	30550	38091	18948	17251	26840	16729	20819	58090	37749	53812	64146	48291	51976	0	43573	50763	20350	23681	23000	41645	24470	45651	39697	35792	22066	0	33308	43435	Phytochemical	0.44	1.2	0.08
24	C30 H30 O9	535.1963	535.19696	0.11473227	535.19635	19056	18630	16726	16344	20546	8979	4946	9293	27133	53168	60947	3471	29230	15788	8924	7239	5933	18012	29356	43832	42808	18667	8426	15154	9235	119755	3955	50244	5250	7634	5259	6288	7817	4918	61042	5655	8134	7828	4421	38670	39345	9284	0	0	0	23181	23146	0	10796	5277	18723	16218	17117	0	26806	26102	9487	8069	8128	7431	8741	32139	31453	17460	11132	25713	12747	8232	101628	97032	124335	4433	4146	2229	3082	4627	0	4208	19450	16247	11736	16944	4748	34520	34479	13422	16473	10335	10569	11593	7700	11940	9868	24295	17668	0	19094	19371	23338	26989	28648	5765	4350	8385	17463	6583	20454	0	7631	22249	Phytochemical	0.3	1.0	0.0
28	C30 H30 O9	535.1963	535.19696	0.13510244	535.19635	4017	2405	3322	2762	4827	0	1498	0	6364	6668	6031	0	5919	3865	0	0	0	2828	6567	6671	8373	4279	2263	0	0	21284	1548	5907	0	0	0	0	0	0	6695	0	0	0	1260	3755	8251	0	0	0	0	3514	4893	0	1428	0	3229	2325	3397	0	4344	4385	1277	0	1255	1426	0	3185	4649	2030	1427	4365	0	1255	20559	16085	32773	1078	0	0	0	0	0	0	3411	4657	3135	2621	0	4743	7113	0	3822	1690	1492	2130	0	1421	2079	6737	4300	0	2608	2822	3949	5722	7423	0	1198	0	0	1180	4329	0	0	3336	Phytochemical	0.3	1.0	0.0
20	C30 H30 O9	535.1963	535.197	0.09932836	535.1963	16824	18819	12345	15761	17148	10106	4166	9016	18116	28993	43472	7404	17182	14311	5129	14228	6572	17543	17017	38940	40969	15796	13787	8674	4272	89264	5624	29948	5041	4576	7456	6631	8807	4814	46214	6161	11640	6822	4025	23740	26500	5318	530	0	0	14341	13487	0	6669	6404	15760	12080	10819	0	20013	16898	8385	7845	6421	6942	10702	18184	17366	14070	7216	16434	11148	6141	68036	92739	114362	7788	5946	5764	4917	6780	0	6183	12254	11487	9916	8964	7732	34002	17773	13446	16404	10624	9538	9743	12822	7749	14413	12700	13494	0	17156	15713	20115	21038	16183	6651	6406	15086	7181	10372	15297	0	7946	18979	Phytochemical	0.3	1.0	0.0
26	C30 H30 O9	535.1963	535.19696	0.10707121	535.1963	10670	7526	8019	7792	10539	4684	0	0	15974	19892	24177	0	13539	7533	0	0	0	0	9843	21896	20923	9257	5638	0	0	47352	0	21150	0	0	0	0	4693	0	24485	0	3044	3289	3433	15305	22815	0	0	0	0	8586	13395	0	0	0	7481	6607	7734	0	8368	11736	4008	5011	0	0	0	11550	13539	10410	4121	11126	7672	4090	61373	42861	72308	0	0	0	0	0	0	0	9885	0	6727	8541	3809	16165	17903	8704	11246	3796	3720	4835	3214	3988	0	13706	9109	0	8313	7524	10194	19156	20952	0	0	0	7669	0	13035	0	0	12124	Phytochemical	0.3	1.0	0.0
22	C30 H30 O9	535.1963	535.197	0.08826052	535.1963	27629	21415	23313	25379	30622	16318	6502	8079	32329	56484	69291	6258	23436	22120	10696	8893	4476	24876	27047	52779	61393	23929	12177	13180	8612	135054	6697	56527	7851	5063	5378	6166	11919	8660	79055	6980	11496	11151	7361	43225	44394	12414	0	0	0	26593	27772	0	7966	7238	23730	24318	22092	0	29994	26839	13562	9729	9038	8483	10079	31658	31240	18000	15219	27588	14775	7817	107997	131041	159915	7493	6825	4253	6946	6190	0	7370	15905	17007	19615	22591	10481	35672	37749	19100	17221	12986	12105	17381	14409	13277	21459	26938	32023	0	21688	18688	28211	30516	30338	9429	7456	14278	18008	9758	22069	0	10191	24460	Phytochemical	0.3	1.0	0.0
20	C27 H34 O11	535.2174	535.21814	0.15707216	535.21747	338795	331053	309259	280478	237482	222495	158910	324852	304683	804353	300242	151401	352732	169801	276927	264760	140453	326371	383621	654521	563813	340356	256794	302788	247030	392555	150770	277069	273001	250491	264084	265999	302475	217154	913449	264715	324624	210045	146065	451414	235567	160238	6761	0	515	392998	247993	729	264089	231023	317598	326082	213362	712	387635	232313	143132	277518	279841	126502	267199	269919	371513	293486	134577	275563	186291	180113	302772	639462	437992	258313	250999	261064	158203	248284	0	214617	291199	155842	240577	219015	212622	328201	258108	168410	259775	141167	184654	168887	289787	326387	345587	183673	282772	1860	315147	313088	236625	197403	196615	275026	186599	307138	232278	265200	205966	899	197108	404159	Phytochemical	0.4074074	1.2592592	0.0
28	C27 H34 O11	535.2174	535.2182	0.26312515	535.2175	6006	10168	7864	7940	9864	5684	3540	9983	7107	28818	9090	4435	16348	4775	7462	13256	4094	11032	11423	24528	22356	7340	8253	10085	7379	15555	2866	8636	6035	9288	9460	4585	7393	5203	27480	6584	8486	6092	5409	10615	7131	5049	0	0	0	10671	6661	0	15553	9127	10047	9228	6928	0	10720	7002	3849	10163	5445	2572	10813	8431	15187	9079	3297	12246	4893	3296	13631	29635	22090	7465	4217	2737	5266	5472	0	5064	7949	4477	6620	5306	4548	8733	8550	6048	8493	3193	4702	5784	7295	10343	11730	4239	7873	0	10155	8426	8239	8866	7519	4559	3546	13594	5271	5330	5828	0	4748	13963	Phytochemical	0.4074074	1.2592592	0.0
24	C27 H34 O11	535.2174	535.21814	0.16037522	535.21747	67032	69365	68240	70250	75922	57205	29351	60127	90442	189770	63553	33635	126118	42412	59627	58024	25770	100030	107918	153993	134520	76026	60185	63796	51492	85271	24474	58045	51578	41173	55438	47860	59346	42692	208182	52781	83559	46188	30997	98085	43953	36852	0	0	0	93422	71996	0	56231	53515	83991	80875	57322	0	105430	62177	34031	63557	50609	26034	64292	62139	114742	79796	25711	89742	49508	30189	72889	185441	120397	54071	49321	56117	30215	43192	0	44054	76649	27883	62152	55916	40239	51124	76049	41941	55384	29716	42254	34435	67278	66476	94421	41531	77762	0	66258	73626	58693	62193	62805	46758	31409	65017	59520	55018	56884	0	38177	128009	Phytochemical	0.4074074	1.2592592	0.0
16	C27 H34 O11	535.2174	535.2182	0.12428894	535.21747	142131	142826	141742	159962	103937	74071	101422	151757	113536	481780	140072	105228	121111	56347	121174	159801	106389	109412	144568	461338	216638	145410	134574	166296	107439	188120	91742	130580	123027	129834	138686	145095	161622	109294	555512	142255	142408	106069	128870	319584	158863	71362	2248	0	0	140067	127263	0	165863	144928	157918	146754	86552	336	132971	97197	70885	152328	115916	103196	166687	105291	130460	112441	58590	106788	82677	125604	147619	228359	226394	127589	116895	151108	105592	134727	0	96908	153021	84352	135096	119920	119501	132293	114102	73272	146348	65129	74023	187906	126683	126272	183137	85518	125196	843	154684	148559	87997	89739	108286	132788	91847	132321	97603	161460	104106	343	127459	119514	Phytochemical	0.4074074	1.2592592	0.0
26	C27 H34 O11	535.2174	535.2182	0.18318334	535.21747	25161	19657	26077	22332	27995	18484	5820	20454	32209	63683	21600	10549	49377	11045	25996	24080	0	40767	34368	56454	49647	24706	23974	22282	18268	32281	7645	21144	17485	11964	18218	16906	19253	14081	72363	14373	26603	17661	12815	34096	20475	9836	0	0	0	30121	20825	0	24003	15007	24723	25354	20490	0	38814	23314	11754	22557	14136	8233	23574	17900	43100	26584	8779	28975	16320	12305	29184	69625	49579	18562	14082	18563	11380	12241	0	12750	25420	8083	18882	18237	13747	19907	27477	16123	24188	12162	14056	11207	19811	26286	27450	10943	30866	0	26063	26626	18819	19424	19765	14753	8375	23013	13784	15072	14867	0	13354	42388	Phytochemical	0.4074074	1.2592592	0.0
22	C27 H34 O11	535.2174	535.2182	0.16281869	535.21747	200334	203306	188107	185284	165403	154074	86026	198988	220727	485263	178377	90335	247599	114160	176942	151739	80684	250354	227693	404319	368384	213035	175820	183792	166407	230902	76604	168043	176309	143461	160874	163021	186058	145018	540724	157092	212001	125451	87878	243880	131640	102533	3503	0	474	261377	142721	0	172679	139996	189016	195490	137755	687	284146	142103	102206	173214	179396	64409	168415	171900	280577	205917	90776	198026	131176	91350	174632	467077	260506	159345	143177	150024	72227	143640	0	132510	181614	83788	150176	155129	121008	142830	163152	125617	149958	83051	110963	104296	189099	212307	220044	127059	191250	0	189723	186936	140929	142386	133736	162508	113442	181648	150854	161479	130727	0	119446	284452	Phytochemical	0.4074074	1.2592592	0.0
14	C26 H34 O10 N2	535.22864	535.2295	0.12717496	535.2287	26084	29024	23867	29954	11692	11612	18711	32268	14811	32382	17765	17842	14889	6050	24799	34714	17539	13786	25801	38310	28366	45288	18683	34126	27210	8788	15545	20222	29493	24338	22944	27006	31005	21659	45004	23478	31815	19240	26367	31325	20111	13714	0	0	0	32205	17460	0	22764	25978	23637	20625	14599	0	19018	5486	8551	40398	29030	16483	0	20880	14669	13812	9541	13058	12941	26376	0	18472	6530	22024	25091	24615	16782	22996	0	22604	19944	23043	17335	19358	20354	20504	8024	10054	22814	15778	15961	31406	40516	52478	66330	18954	28625	0	29487	24000	7623	9209	7561	19158	13975	38338	18154	25901	6874	0	20641	14270	Phytochemical	0.3846154	1.3076923	0.07692308
12	C26 H34 O10 N2	535.22864	535.2295	0.18916833	535.2287	17261	17447	16989	19081	8345	9940	16655	20288	8969	23075	9725	8995	12741	4097	17333	21809	14863	10723	10203	32758	20334	36402	14346	21415	18239	4931	10012	11746	22489	16056	21938	17131	29395	20407	42096	16746	19474	12208	17088	26811	16576	11029	0	0	0	18550	10293	0	18896	19193	15750	16983	10870	0	18103	6848	9413	22236	15959	8234	17704	15279	8346	8619	3987	8738	11654	17763	0	20077	10133	18547	15668	14560	11563	14048	0	15648	14480	0	10183	10762	14743	16498	6269	7126	16260	5828	10870	26705	31087	27482	28083	15971	20799	0	21367	21448	5445	5046	6033	13409	9805	17644	0	24141	7579	0	17749	11056	Phytochemical	0.3846154	1.3076923	0.07692308
20	C26 H34 O10 N2	535.22864	535.22943	0.19708656	535.2287	15986	14874	16483	12151	9811	10513	9765	19405	11581	24780	6428	9580	11238	3921	12768	19450	6005	11300	20676	20270	16811	17382	12222	24305	18911	3137	9784	9940	18301	15493	16377	18253	25399	18379	30360	17280	25816	10135	10037	19495	6900	12340	0	0	0	13021	7542	0	22564	14223	18547	18163	8554	0	13665	4460	9399	19184	20042	5655	19964	13572	8174	7653	5289	7574	14320	10290	4209	11594	3296	19135	11343	12162	8636	12531	0	16510	15289	7832	9700	7037	13425	14538	7009	8564	11475	13308	10201	14828	29867	38628	33268	11003	15130	0	20650	13368	4559	4528	5797	21303	9690	19788	7909	20640	5659	0	13297	15325	Phytochemical	0.3846154	1.3076923	0.07692308
16	C26 H34 O10 N2	535.22864	535.22943	0.123198144	535.2287	36952	27932	27303	31539	15341	15199	26701	36644	21445	42328	20437	19875	20216	7735	35627	43363	20671	21525	25859	49851	41745	51816	29166	46207	37074	9001	20999	22079	40628	29645	38763	36818	52061	35848	56607	31836	43961	25740	23134	39716	23296	16803	248	0	0	37316	18494	0	47968	28773	33924	29664	16035	0	16746	12657	9538	35381	37535	17115	36813	26623	15934	15050	10012	21515	17883	22201	6294	19998	10384	32953	33441	27813	18286	33033	0	25304	22826	24787	20552	18056	37471	30156	8312	13122	23450	13694	14867	37139	54136	55007	105048	23438	34337	0	29978	35690	7364	14877	11336	37483	21297	39350	19265	40197	12001	0	33123	21823	Phytochemical	0.3846154	1.3076923	0.07692308
18	C26 H34 O10 N2	535.22864	535.22943	0.13849661	535.2287	32837	23939	23610	27134	19691	15096	18804	37037	12378	36023	15636	11591	17276	9543	29448	31311	15307	18351	33303	42865	28888	40663	27269	44773	35350	9481	17449	19127	35997	22482	29681	29103	41150	33298	54843	28023	42953	25561	18604	38384	14808	16379	376	0	0	30637	12037	0	34957	29630	26711	29093	13317	0	30456	9662	10386	34325	40689	10391	38762	26065	19766	17542	10107	19603	20604	17250	6862	18775	5425	29280	33291	32091	17548	23686	0	21138	24058	17234	22133	19021	26160	19372	8391	11353	22759	21894	20941	25210	47500	61021	67628	20178	29617	0	24497	25667	7981	8813	8395	41322	16499	42437	14373	34476	7693	0	26641	17530	Phytochemical	0.3846154	1.3076923	0.07692308
10	C26 H34 O10 N2	535.22864	535.2296	0.19938087	535.2287	12838	16905	11817	14098	4887	6553	8170	18443	5712	21669	6630	6576	8393	1936	9791	14212	10527	7525	11166	21455	18418	23911	9074	18293	9955	5130	8144	8670	15562	10105	12035	15269	16680	11198	31508	10263	18307	8339	10647	24024	11224	6277	0	0	0	14659	9488	0	12750	13335	16361	14661	7792	0	10185	3521	3360	22078	7847	6009	11469	12721	10917	8522	3563	9614	6596	12563	0	12346	6732	14505	11960	11234	6573	11944	0	8630	12503	10716	6402	8416	7631	10007	3726	5668	7805	6560	6204	19461	17678	17362	26897	10091	16820	0	14470	12632	3022	6129	5049	15519	7391	17219	0	13050	4522	0	10885	8733	Phytochemical	0.3846154	1.3076923	0.07692308
20	C31 H34 O8	535.23267	535.2334	0.117847286	535.2327	18200	21283	13089	13553	8712	7373	9371	13824	16980	16873	19008	10271	8105	13864	8653	12547	12295	8911	11867	23887	25385	13311	12564	17038	11398	57712	8387	19204	8542	13234	9517	12364	10342	11768	21327	13282	11997	10986	15859	20820	24745	7412	0	0	0	10579	15589	0	11621	9061	14344	18009	9077	0	12608	12826	8523	11725	10867	11689	15635	11835	7315	10714	9136	12539	13581	15763	39940	52934	84694	10409	8937	9303	10111	14104	0	8211	23150	12324	16441	9166	11117	23650	15092	5065	24603	8178	9525	17743	10476	10243	16318	11309	9264	0	15427	15598	14989	15192	15938	10357	9858	13942	5985	14730	11058	0	15936	8263	Phytochemical	0.2580645	1.0967742	0.0
18	C31 H34 O8	535.23267	535.2334	0.07676546	535.23267	3944	6523	4884	5547	3937	2397	3148	4223	3184	5136	6268	3075	3237	2977	4222	7379	6403	5448	4901	4831	8134	7228	2782	3659	6436	10928	4845	4020	0	3573	5671	0	0	0	0	0	4386	2502	7748	5516	9935	2854	0	0	0	2069	4948	0	4954	4399	3968	4113	3323	0	3691	2681	1476	6332	4456	5753	0	2533	0	2791	3246	2656	2610	8672	12702	12833	21860	4845	0	6930	6776	0	0	2442	7055	2733	5963	3449	6549	6121	3625	4377	5989	1727	3511	8980	6573	4272	6023	4316	3990	0	3349	0	4203	5175	6589	4667	2993	5021	2792	4245	0	0	4368	3617	Phytochemical	0.2580645	1.0967742	0.0
26	C31 H34 O8	535.23267	535.2334	0.054797877	535.23267	17841	18438	13825	18695	20434	10518	3995	9981	18969	20288	39376	4176	25300	12163	9804	11829	9067	12331	24822	36000	28801	12065	10525	10906	8410	87788	4634	38562	6759	8181	10003	8411	9873	6599	29918	8907	16230	11063	7752	24280	36646	12667	0	0	0	17923	23009	0	10660	9209	18246	19279	13655	0	20701	24324	13035	13325	12181	8820	11252	20646	18027	14299	7122	20885	14758	9831	90424	65109	89176	9064	7498	0	0	8068	0	6537	21339	11917	15611	11655	8397	25515	27524	13403	17240	10547	10237	7509	9763	12485	15360	17264	13150	0	16448	14465	14869	30425	39666	11868	6141	7536	15996	7824	18786	0	8802	14330	Phytochemical	0.2580645	1.0967742	0.0
28	C31 H34 O8	535.23267	535.2333	0.14099818	535.2327	4264	3677	4379	2797	5668	0	2145	2411	3708	5088	8159	0	6996	3993	0	3089	0	4495	4889	5896	8627	3149	3181	3968	0	24464	0	7994	0	0	1899	1477	2370	1635	8243	0	0	1633	3141	4712	8767	2926	0	0	0	0	5453	0	2721	0	3938	3428	4156	0	5249	5372	2282	3406	1642	0	3137	3800	4414	3964	2337	6019	3202	2018	21675	13198	29093	2193	1745	0	0	1987	0	1247	5898	2811	2931	2572	0	5002	5135	4258	5153	2828	2928	3849	0	2877	3864	3345	0	0	4730	0	3933	10237	9141	2428	1507	0	0	2519	4641	0	2990	4274	Phytochemical	0.2580645	1.0967742	0.0
10	C25 H34 O9 N4	535.23987	535.24097	0.3968043	535.24005	6178	3317	5707	5922	0	2120	4349	4964	1400	3344	0	2258	1468	0	1872	4062	0	1842	0	5107	6618	7168	4345	5118	3208	0	2546	11297	6101	2375	3004	5869	3736	5146	7385	3943	3430	2759	3036	1930	0	1076	0	0	0	2103	0	0	3048	2937	4488	5038	0	0	2612	0	1252	4329	0	2485	0	0	0	1566	813	2036	1678	2877	0	0	1737	4236	5473	2379	3485	3058	0	3234	2567	11008	0	1365	2794	1432	0	1655	3077	2107	1748	6643	163754	51015	10098	3267	3566	0	5249	1708	0	0	0	4754	4164	0	0	7815	884	0	5221	0	Peptide	0.36	1.36	0.16
8	C25 H34 O9 N4	535.23987	535.24084	0.38859138	535.24005	2875	2513	2151	4232	989	1871	2075	3902	777	0	1725	2220	0	0	3129	3748	2190	1750	1652	2090	0	2246	2358	4450	4771	0	1631	8208	2948	2198	3018	4515	3298	1881	1668	3958	4001	2470	2090	0	935	800	0	0	0	4841	0	0	5193	3168	4083	3203	1401	0	0	0	803	3228	1039	1640	5212	0	0	1554	0	0	1426	2277	0	0	0	4467	3216	1947	1528	3609	0	2390	3291	10292	1471	962	2519	1687	0	0	3477	878	1862	5371	63657	24912	8896	2707	1966	0	2712	3325	1255	0	0	5131	1905	4045	0	4053	0	0	3469	1220	Peptide	0.36	1.36	0.16
12	C25 H34 O9 N4	535.23987	535.2408	0.3517345	535.24005	2591	2166	2255	3109	0	1546	0	4271	0	1938	0	1702	0	0	2765	0	0	0	1648	0	1856	0	2533	0	3788	0	0	0	3517	2122	3135	3573	5095	3411	0	0	3189	1679	2378	3146	0	1428	0	0	0	0	0	0	3122	2532	4109	4874	0	0	1941	0	1826	3399	0	0	0	0	1123	0	0	0	1789	0	0	0	0	2025	2798	3006	0	2733	0	0	1769	0	3500	944	1782	1408	0	0	3017	2135	1975	0	105313	50460	4417	3245	2344	0	3081	0	0	0	0	2947	1919	3784	0	3490	1793	0	3346	0	Peptide	0.36	1.36	0.16
14	C25 H34 O9 N4	535.23987	535.24054	0.23669092	535.24	7550	4070	3463	3360	1897	1487	3303	3039	1615	4055	1843	1382	0	1918	3374	6875	3410	4421	3386	7275	7313	0	5610	5560	8553	4318	0	0	8146	4490	5174	0	10106	7922	6314	2874	7729	5749	4738	5366	0	2849	0	0	0	1986	5007	0	6234	0	3679	2927	3781	0	4022	2573	1543	6059	0	0	0	1813	1607	2802	3036	1473	2313	4658	0	8129	5027	0	3045	2516	4233	5271	0	2287	4876	0	3891	2827	5026	2602	1650	0	8122	1818	3497	6790	24215	10990	10333	0	10319	0	2571	5661	2497	1801	0	2292	5875	4449	0	3204	1494	0	5360	2610	Peptide	0.36	1.36	0.16
20	C23 H38 O12 N2	535.24976	535.25073	0.39061707	535.24994	7668	3626	5201	3947	5566	3474	3403	6404	4484	9693	7949	5125	5790	3508	7662	10100	9677	6579	7434	8948	9177	5410	7570	6294	6397	14185	3508	8595	9324	7067	5516	6797	5952	5205	10946	6069	8160	6731	2711	11607	4964	3633	0	0	0	3900	2744	0	6861	7427	7345	5847	2887	0	7468	1596	2285	7978	5738	4281	6413	5141	6869	5991	1419	2855	4857	4913	13095	21133	17846	7487	10884	7956	6059	6368	0	7464	8749	3750	8444	3565	4110	0	4008	4241	5700	3455	6010	7267	4640	6461	11842	2970	2575	0	4490	6825	3273	3170	3773	7672	3879	19560	3763	4119	5002	0	4779	6272	Lipid	0.5217391	1.6521739	0.08695652
28	C28 H38 O10	535.2538	535.2546	0.17275998	535.25385	11060	11660	11810	8543	13587	7062	7409	12190	14211	23421	10703	4525	20110	5987	6719	10785	6758	12542	19656	23797	22442	13039	8644	11046	7878	23640	6048	12309	11964	9143	10073	9113	14332	8927	33989	8734	14738	6620	7956	12818	10420	7000	0	0	0	9123	6711	0	10591	9594	12122	10535	11889	0	18093	9965	5589	10121	8784	4378	10949	8151	21438	11611	4828	15551	11082	7739	19084	41313	32735	7126	6217	7895	6802	7511	0	5702	12861	6301	7928	3652	7687	8455	14538	7782	11898	4088	7253	8341	13533	16275	11381	5321	8734	0	11985	10587	8120	13076	15023	11672	5951	12083	5939	7149	8675	0	6978	17111	Lipid	0.35714287	1.3571428	0.0
26	C28 H38 O10	535.2538	535.2546	0.10082899	535.25385	53049	53552	59451	49137	56567	38023	20539	56794	63582	96525	46188	35760	88064	33588	49541	42551	24654	80933	94330	101429	87035	47014	45350	53777	46812	69712	28164	44816	53814	33060	48666	42701	55831	34651	123773	47053	69837	37080	26549	61046	36276	24671	0	0	0	59068	31875	0	46231	44771	57881	55214	43678	0	86990	60185	30774	51238	41333	18807	48972	33800	76437	56919	24550	58682	41570	28607	73709	138284	101172	39415	34345	33586	22744	34747	0	43311	55677	29312	39616	30019	35530	36772	60154	37218	41103	26263	35779	21329	47256	65112	66007	28187	48846	0	56577	57014	40773	56343	48573	51467	42870	62448	34228	40627	37705	0	34209	82792	Lipid	0.35714287	1.3571428	0.0
20	C28 H38 O10	535.2538	535.2545	0.12751253	535.25385	268715	268798	267117	249312	226304	160427	161603	266240	261536	407730	253528	178693	274394	128017	238885	276720	187334	244200	310543	475431	399256	238886	222933	282246	219792	327093	159036	225536	269900	235123	231911	259962	277603	216698	484035	253262	295984	203020	200102	261794	205905	149697	5471	0	0	230388	166355	450	257023	233436	254027	255058	187158	571	314228	216748	142469	261118	247056	125294	258707	164328	291174	250241	138626	231402	166712	205649	236898	436686	368849	221433	228855	253821	207509	237168	0	182765	300669	143818	210586	124807	204705	232982	244855	153918	260213	138314	169885	190949	259631	276881	326332	156495	203483	1831	260579	268337	186036	231481	218585	271491	176567	301796	164950	241709	194505	693	196132	285766	Lipid	0.35714287	1.3571428	0.0
20	C27 H38 O9 N2	535.265	535.2659	0.26784644	535.26514	8056	8514	13503	7418	2123	3929	7176	14658	2774	3343	2892	4208	2246	0	8693	11215	8637	6490	7444	7388	2966	10098	3823	9014	10445	1272	7571	5050	16719	9120	12140	12594	14061	10952	6316	13245	14587	4167	6688	5649	3982	5582	0	0	0	8246	4279	0	11959	7871	6351	7595	4498	0	4144	2428	2552	13181	10410	5251	12849	2796	2627	6994	2485	2880	4307	7423	0	5590	2990	10006	6962	7333	5411	10413	0	8090	7731	3260	4991	3271	8201	0	1832	4081	7500	4623	3991	15168	23196	24506	19292	4226	4417	0	8083	8594	2063	0	1552	13125	4171	14646	5068	13243	2461	0	8088	3130	Lipid	0.33333334	1.4074074	0.074074075
24	C32 H38 O7	535.26904	535.2697	0.07015494	535.26904	31359	42409	31307	33934	22336	14334	20584	32405	32008	38808	61730	20988	22108	24724	32154	38710	38011	18349	34236	53235	41360	26137	32660	41033	33496	132134	24143	54609	26619	34886	30264	34982	33045	27359	41857	35547	35646	24603	43324	53517	55523	20770	0	0	0	25102	31676	0	36073	35465	34765	38360	24081	0	37306	30906	19442	39035	25228	28117	38828	32530	27376	25308	18463	27078	28171	43466	94212	89735	113994	23449	26492	32365	24932	34091	0	24535	49581	29292	33475	21524	32803	42385	33929	23266	39761	22301	26703	44828	27460	27249	48202	22445	24692	0	36617	34171	24392	39338	34322	41262	20346	40371	18854	34654	28710	0	34497	17913	Phytochemical	0.21875	1.1875	0.0
26	C32 H38 O7	535.26904	535.2698	0.03349053	535.26904	30111	26532	25668	28577	24526	14291	13075	33650	20734	22968	42821	12867	16210	19126	21850	22965	25314	16640	31851	54269	32638	24788	21205	27831	29983	113497	15751	47351	27658	26629	21722	21048	27291	22079	31652	31892	28882	17776	23612	38810	43255	16637	0	0	0	27523	18860	0	25157	30233	25272	24863	17957	0	29456	34694	19291	30587	20092	16182	31024	23004	16104	20957	12005	20997	26679	24080	116497	67524	82000	21228	18293	24251	16516	25518	0	20680	35022	22802	27867	15681	25926	47257	37926	12768	32941	24030	15336	23853	20011	21002	32367	20350	17749	0	26382	26489	17667	38679	37403	37801	12468	34778	12671	24454	24620	0	22266	14527	Phytochemical	0.21875	1.1875	0.0
28	C32 H38 O7	535.26904	535.2698	0.11690076	535.2691	4908	5246	4823	6505	5612	2608	2271	5539	4228	4095	8546	2226	4071	4226	4048	4767	4934	0	5940	9177	6983	5020	5699	4319	6517	24058	3131	7309	3884	5400	3685	1940	7071	5029	6308	5893	6359	3046	4150	5411	8831	4734	0	0	0	6013	2609	0	6488	5906	7471	6189	5779	0	5653	6254	3750	5442	4660	2795	5797	2875	4771	4360	2538	5322	5028	4368	22522	11644	24462	3630	3483	5439	3299	5359	0	3026	7271	5945	5157	2911	4651	9744	9768	3744	7940	2993	3608	3883	4316	4413	5473	5854	0	0	5419	4416	5519	17586	13806	6396	3114	6676	3257	5934	5281	0	3995	2716	Phytochemical	0.21875	1.1875	0.0
8	C26 H38 O8 N4	535.27625	535.27704	0.43777674	535.2765	1089	0	0	915	0	878	0	0	0	0	0	0	0	0	0	1115	0	0	0	0	0	0	0	1178	667	0	0	8039	0	845	0	1135	0	770	0	0	0	708	0	0	0	0	0	0	0	0	0	0	0	0	1386	1327	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1107	0	0	999	13497	0	0	0	0	0	0	0	0	0	0	63710	30667	2271	0	0	0	1590	0	0	0	0	0	634	0	0	1040	0	0	1053	0	Peptide	0.30769232	1.4615384	0.15384616
10	C26 H38 O8 N4	535.27625	535.277	0.21589978	535.27637	3409	1608	1143	1198	0	1311	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1010	0	0	19632	3178	0	0	0	2419	1201	0	0	1370	0	1491	0	0	0	0	0	0	0	0	0	0	0	1797	2592	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1040	0	0	0	0	0	10280	0	0	0	0	0	0	0	0	0	1266	207290	106501	0	2785	0	0	1437	0	0	0	0	0	0	0	0	1173	0	0	0	0	Peptide	0.30769232	1.4615384	0.15384616
20	C26 H38 O8 N4	535.27625	535.2767	0.27441773	535.27637	1946	3278	3556	3328	0	0	11563	6498	0	0	0	18183	0	0	3266	4242	0	0	1633	0	0	7546	0	0	0	0	8961	0	0	19560	21800	0	0	0	0	0	0	2777	0	0	0	0	0	0	0	0	0	1692	12962	9888	6309	4646	0	0	0	0	0	2463	0	0	0	0	0	0	0	0	0	6085	0	0	0	15481	3898	6393	5407	11388	0	14987	0	0	0	0	0	0	0	0	0	0	0	108127	0	0	30877	0	0	0	0	0	0	0	0	6065	11712	0	0	10556	0	0	10540	0	Peptide	0.30769232	1.4615384	0.15384616
18	C29 H42 O9	535.29016	535.29095	0.08168567	535.2902	31309	28604	27866	26013	22810	9135	35928	27714	22658	13352	11978	21358	18266	11187	22213	34156	46080	14847	29257	18980	9631	14991	20924	30222	22654	15640	39874	9558	28612	27787	29643	28344	31722	12993	15355	36044	24468	20336	48363	8742	16576	12128	319	0	0	7227	13612	0	35338	25033	19784	32698	15173	0	32819	25647	19096	37616	14801	20551	25419	5598	29764	21814	16531	17369	14848	55399	15960	18602	17808	11566	21663	30838	45266	25908	0	22799	38878	13895	30494	13397	23118	13549	35839	16894	41460	9413	18762	49271	21039	22794	25916	10206	12655	0	30790	21940	19846	47220	44487	39711	17247	26683	8045	23739	26392	0	32161	19096	Lipid	0.31034482	1.4482758	0.0
22	C29 H42 O9	535.29016	535.2909	0.07062787	535.2902	142757	151533	141092	134748	135565	92204	128367	157177	151535	140830	100799	95474	143389	80971	132023	170485	146253	143903	198766	183591	157922	123978	123939	135369	142721	135961	113860	119594	158315	136083	131414	168038	188255	114626	184821	160423	173119	122795	145817	110466	89550	84609	3577	0	0	113599	82611	0	152373	139106	147491	138962	120600	0	217767	157542	93772	162616	116367	81290	166120	80766	178817	144364	74264	138494	113871	153359	106447	200627	148928	106802	112154	136825	132894	130148	0	114927	169243	70257	123309	70166	141917	104652	174247	123086	165175	77942	108937	138299	172634	194910	171629	72358	115193	0	136444	134883	103585	175225	168060	193034	89460	170854	77475	131993	147226	0	112097	157466	Lipid	0.31034482	1.4482758	0.0
16	C29 H42 O9	535.29016	535.291	0.1734165	535.2902	7304	8420	6376	6743	2484	1978	8788	9421	4551	2625	4349	6295	3600	2284	9544	9090	17025	1969	3685	4943	3572	4269	6749	6589	7857	2583	9573	4195	6040	9692	6649	5402	9623	4478	2731	8265	8600	9039	23176	1340	3253	4128	0	0	0	2055	2774	0	15129	5936	7228	4630	3135	0	8437	5094	3761	6346	4322	3377	8339	1379	6039	5384	3788	4107	3697	19976	0	2898	2582	3839	5308	7301	13622	9071	0	6674	8954	0	11305	4596	7031	2249	9791	5887	15998	1351	4598	0	0	7112	0	3841	3523	0	8264	10341	4370	13273	15462	13008	4771	5429	0	0	9666	0	10562	3977	Lipid	0.31034482	1.4482758	0.0
24	C29 H42 O9	535.29016	535.2909	0.10482942	535.2902	169554	168751	171219	162177	178422	112087	124827	174653	189224	228072	153758	92101	208691	96364	152355	163057	114668	182800	275914	278577	208653	146075	141581	164097	147571	164201	105365	150016	189876	158769	155717	182842	221035	138052	300816	188964	246198	124578	125139	174560	98394	91863	2080	0	0	136696	86948	0	192218	138746	172232	158004	139842	0	301967	175948	95358	196053	151955	77692	170698	111338	212023	193461	90468	160063	129278	122827	140775	265397	198228	137439	136854	162641	112463	153612	0	120869	180700	80270	137264	91921	146840	118479	198278	138062	168682	89007	137350	123799	217092	240085	219564	93809	146483	0	169064	171326	126258	170797	193785	212649	100605	234338	87149	148030	152931	0	118504	207877	Lipid	0.31034482	1.4482758	0.0
28	C29 H42 O9	535.29016	535.2909	0.083480194	535.2902	13619	12500	13873	9142	19761	7686	13042	12851	17318	16232	10804	4461	19750	9020	11608	13004	8972	15428	26914	15792	15828	10106	13831	12866	13215	18017	11667	10505	20646	16107	12572	16152	23354	11834	26190	15186	20206	9314	9607	14193	9955	6123	0	0	0	9576	5163	0	15499	11028	12336	13344	11193	0	25443	16018	7329	16531	9817	5251	16283	8239	21231	15375	5728	15666	11828	11527	18787	30590	24428	9257	7208	12943	3942	10256	0	8004	18059	7780	12577	5958	10179	11187	19967	10800	17430	6484	9624	9753	19517	19106	16139	8090	7429	0	12493	14326	7198	20464	23870	19262	5154	16979	5892	10129	12706	0	10502	14795	Lipid	0.31034482	1.4482758	0.0
26	C29 H42 O9	535.29016	535.29095	0.10884301	535.2902	85977	88537	89650	87087	97762	63442	58984	105641	108594	115881	67789	42675	123748	62980	94297	93705	52428	124973	158966	150181	127672	86873	74648	93642	97658	89176	49622	83968	124257	93266	86160	98625	121723	74004	170176	101084	141852	76013	54412	97346	49338	58559	0	0	0	87762	38357	0	91619	83165	86836	78152	81581	0	179651	119145	56677	103495	97439	33746	99718	61456	126782	98426	45242	92025	77296	54510	86532	157133	94373	73514	77529	90970	55096	75985	0	59807	88736	39128	72385	49231	76574	64871	111549	83088	86703	40495	72213	51964	107406	131883	124645	53752	79174	0	94901	98090	62978	102891	96718	121803	49155	119210	50497	77437	85657	0	58870	118597	Lipid	0.31034482	1.4482758	0.0
20	C29 H42 O9	535.29016	535.2909	0.05642922	535.29016	71140	79667	69236	72898	67626	37278	70839	79707	63267	59156	42521	52661	66239	44498	75592	104458	98046	53545	89305	60780	59016	57543	70103	77742	62050	62073	68673	45187	83271	83391	63338	74065	96178	49838	76535	80856	81851	64783	94664	38381	54642	48768	807	0	0	44086	45884	0	76949	60220	70324	77544	59250	0	94411	81058	47105	93578	49417	50042	79756	29896	77270	79014	45624	58619	44118	112421	41449	69387	63331	52186	61538	78448	101310	64838	0	50141	97328	40149	72229	36153	66486	52800	89509	60615	91255	36070	48543	96433	78026	81040	86182	35028	43357	0	70729	75386	57498	91657	105003	96084	47531	85158	38668	63518	80512	0	63907	69559	Lipid	0.31034482	1.4482758	0.0
24	C33 H42 O6	535.3054	535.3061	0.05157722	535.3054	16893	18320	12119	14083	8636	2846	13585	16217	12610	7577	15497	14033	12617	6906	16301	26401	34985	4921	13111	12882	12420	9973	9694	16318	13233	28934	16989	14158	13460	20974	13019	17127	16330	11185	9412	18543	17827	13908	41657	12557	18227	7607	0	0	0	7469	9752	0	17910	19676	19772	19089	8026	0	15096	19831	10231	18584	10646	15641	20173	9214	7906	10573	5474	6367	10445	36123	25851	13642	23406	7929	12840	19529	22158	17909	0	14244	24249	11712	17030	4752	15577	10896	17180	10699	24227	8434	10719	28471	13949	14466	22574	7745	9019	0	14905	13984	11363	19822	23522	26600	11919	20663	4685	14372	10367	0	19000	4389	Phytochemical	0.18181819	1.2727273	0.0
26	C33 H42 O6	535.3054	535.30615	0.044619985	535.3054	16190	14744	16158	17520	13334	6247	16444	26981	12013	11165	24596	17341	8884	7692	16172	23816	27725	7590	18591	21412	15287	13149	18622	20722	23699	51250	19048	25019	19656	28833	19313	29021	23161	15801	11651	25660	24252	16259	25686	20368	24556	7793	0	0	0	12220	8478	0	20872	27162	14968	15354	13013	0	19047	24691	12363	26546	17786	18394	22240	11971	10506	15446	7010	9754	15593	33735	38151	26940	29142	15878	12856	24367	18028	18276	0	15007	25061	20195	18843	8957	20264	23496	23260	19480	28560	12270	13161	23840	16728	16373	31477	14894	8037	0	17028	19347	12683	32521	39164	37571	12759	21128	10641	18423	18666	0	20826	4215	Phytochemical	0.18181819	1.2727273	0.0
16	C27 H42 O7 N4	535.3126	535.313	0.36584997	535.3128	0	2324	3275	4306	0	2428	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1873	2288	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21007	0	0	0	0	0	0	0	0	0	0	700474	266836	0	2490	0	0	0	2754	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25925925	1.5555556	0.14814815
18	C27 H42 O7 N4	535.3126	535.31305	0.23231472	535.31274	2182	2840	3183	1726	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1483	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	439	0	0	0	0	0	0	0	1894	0	0	0	0	0	1350	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1771	0	0	0	0	0	0	1956	0	0	0	0	0	0	0	0	0	0	515076	123548	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25925925	1.5555556	0.14814815
26	C30 H46 O8	535.32654	535.3273	0.033369116	535.32654	49624	48524	52054	47190	58376	30511	84260	61897	65318	31545	39103	24166	54658	51145	48046	63025	48834	57378	90511	57488	37379	35775	43585	51290	55663	39262	69903	48072	70060	61489	52508	53588	80221	44418	46423	76439	81468	44119	45816	42453	27476	37660	0	0	0	33096	21937	0	56189	43567	49202	48171	49220	0	100654	71358	38348	64522	56513	27466	61154	31506	62613	58746	33228	53125	56098	52241	31532	42312	32546	35342	44678	61051	36662	50427	0	37626	58731	31464	35362	31028	67693	37997	86033	64827	68832	32628	43118	36103	79066	79170	71474	30635	35485	0	48935	58864	39236	82592	93917	82103	29244	75041	49042	45745	72769	0	46348	52722	Lipid	0.26666668	1.5333333	0.0
28	C30 H46 O8	535.32654	535.3273	0.056178756	535.3266	11485	10371	10994	9703	14520	5302	27485	12766	16612	5524	7720	3885	12644	8049	11109	10421	8649	7188	19832	12655	6588	10669	7306	11264	22840	9800	17308	12361	16390	13887	11828	13211	22263	9899	10165	18068	19889	10660	8778	8958	4139	9312	0	0	0	10052	4035	0	11723	8378	9518	10401	10274	0	27785	17329	5984	15084	18182	4110	13275	9338	9782	12318	6178	11924	12102	9834	4503	11596	6829	7565	9316	15626	5047	10780	0	8112	15512	9456	7172	9365	13908	12400	20498	14556	20751	4596	7326	7881	18637	22414	19749	10631	4411	0	11991	12020	7960	21426	23828	21831	5894	16689	13228	11451	16771	0	12640	7009	Lipid	0.26666668	1.5333333	0.0
26	C31 H50 O7	535.3629	535.3635	0.03380812	535.363	4541	7409	6496	4473	3028	0	55994	0	6285	0	3252	0	0	6967	0	15197	10633	0	6312	0	0	2316	0	0	8734	0	45088	4596	6591	8905	6385	9389	11600	4421	0	9470	6886	7682	12670	0	0	0	0	0	0	0	0	0	6297	5933	4305	7909	4000	0	5234	6030	3654	6681	6182	3385	7625	0	2502	2900	9207	2625	9076	12601	0	0	1696	0	3300	15010	10216	8401	0	3764	6207	0	2726	0	13093	8567	12803	9354	10624	2984	3040	5898	13320	11135	4765	2530	0	0	4478	0	3951	11151	15024	15077	0	6054	7720	4465	7863	0	5946	3026	Lipid	0.22580644	1.6129032	0.0
28	C31 H50 O7	535.3629	535.3636	0.14965506	535.36304	3993	3518	3802	2886	2196	0	39582	2431	1357	0	2064	4948	1987	4032	4132	7516	70790	0	4037	0	0	870	2173	1861	5566	0	28443	5425	8995	10520	4687	4501	6188	3590	1175	8127	4756	4322	78428	0	0	0	0	0	0	0	0	0	4285	4199	4470	3799	1460	0	5834	3430	2481	2648	5047	1805	4002	3192	1204	2615	4699	2190	3044	75326	0	0	1238	1962	4336	7970	7325	4307	0	2641	2955	3187	1194	2132	5498	3588	3694	5317	7502	1170	1884	2891	5339	7083	0	855	0	0	4355	4373	3505	5551	8209	6991	4573	6127	5153	3849	3173	0	6757	0	Lipid	0.22580644	1.6129032	0.0
28	C22 H17 O15 N1	536.0671	536.068	0.29972625	536.06726	4004	4351	3692	4409	12466	5204	0	0	7424	3260	1166	0	20007	2000	0	0	0	13766	12572	2252	4583	7217	0	0	0	0	0	0	0	0	0	0	0	0	4333	0	1022	957	0	1545	3007	0	0	0	0	5488	17540	0	0	0	3431	3737	4702	0	12320	9109	2203	0	1408	0	0	3675	18695	11127	3182	8235	3242	0	0	0	968	0	0	0	0	0	0	1337	2610	4328	3167	3919	0	0	13299	3234	1599	1556	2080	0	0	0	0	6225	4311	0	3819	5078	6267	10559	9086	0	0	0	10488	1143	7747	0	0	20569	Phytochemical	0.6818182	0.77272725	0.045454547
26	C22 H17 O15 N1	536.0671	536.068	0.19937535	536.0672	1957	2156	3425	1944	8234	4453	0	0	10740	0	0	0	21595	3853	0	0	0	13923	10053	0	0	7426	0	0	0	0	0	0	0	0	0	0	0	0	3315	0	0	0	0	0	3202	0	0	0	0	0	12618	0	0	0	2724	2611	5996	0	11118	9381	3092	0	0	0	0	3862	14782	11678	0	10044	0	0	0	0	0	0	0	0	0	0	0	0	2873	0	0	2997	0	0	11923	0	0	0	0	0	0	0	0	9825	0	0	2722	0	4288	9290	7997	0	0	0	7403	0	7196	0	0	24243	Phytochemical	0.6818182	0.77272725	0.045454547
16	C23 H21 O14 N1	536.10345	536.1044	0.17148192	536.1036	18988	24400	29456	23864	60140	16010	0	0	57096	33314	26612	8763	101256	16742	11298	11408	9146	64996	54642	38459	79536	120898	20278	8774	6386	4652	4196	6052	2972	3966	4846	0	10714	0	53128	0	5616	10716	3356	17080	53459	14102	1244	0	0	77056	143958	0	5042	5214	25296	27582	29282	0	75010	63978	22886	9782	8602	7679	0	35092	112228	51598	20522	69478	19614	8203	9908	0	11106	3356	0	0	0	0	0	4702	21638	92126	11102	75866	2144	8818	88808	30632	19441	19080	18540	0	0	8734	0	127198	93030	0	23344	29412	53512	48840	66958	10412	3806	6156	111034	0	65346	0	0	88404	Phytochemical	0.6086956	0.9130435	0.04347826
24	C23 H21 O14 N1	536.10345	536.1043	0.28182298	536.10364	5358	7026	6232	6341	10856	5518	1572	0	13076	8311	3096	0	26598	3881	2187	0	0	15902	13960	5204	13401	15293	4052	1099	1802	0	0	1074	0	0	1219	0	0	0	7194	0	1962	1870	0	4268	6659	3031	0	0	0	20787	39886	0	0	0	6511	5662	9254	0	15102	12120	2976	0	2073	1492	0	7466	18830	13357	3952	9846	4050	0	5092	2745	4386	0	0	0	1757	0	0	943	3513	11573	2883	19217	0	2105	16957	9420	1536	0	2534	0	1357	1573	2020	14201	18965	0	4888	7935	8120	9115	10320	1641	1041	1238	28749	0	11389	0	1191	18659	Phytochemical	0.6086956	0.9130435	0.04347826
12	C23 H21 O14 N1	536.10345	536.1047	0.34035113	536.10364	4198	3405	2947	0	8300	1532	0	0	13848	4835	3740	1191	19788	2281	1009	3047	2596	6310	10068	6757	15997	19801	2419	0	0	0	1510	0	0	0	0	0	1667	0	21231	0	1356	1554	0	0	13397	4124	0	0	0	14363	29151	0	0	0	6787	2430	5091	0	13696	13712	2991	0	0	0	0	4431	24953	15511	3601	14011	3825	0	0	0	5415	0	0	0	1168	0	0	0	4137	0	1968	11588	0	986	14837	4446	2892	0	2462	0	0	0	0	32017	16000	0	4529	5473	9703	19773	16559	0	0	0	21608	1324	11746	0	0	19756	Phytochemical	0.6086956	0.9130435	0.04347826
18	C23 H21 O14 N1	536.10345	536.1043	0.21711393	536.1036	14041	15262	11190	11924	28447	15503	2772	2607	31088	13373	8810	3791	62744	7844	3265	3205	2985	36592	38900	14461	36425	52136	9729	7013	1978	2137	2509	1655	0	1539	2216	0	3007	0	20524	0	0	4533	0	11855	18489	7371	719	0	0	41807	72922	398	1736	0	12070	9973	17280	0	40651	34783	10903	0	3575	5300	3787	19193	53749	27586	12463	33679	11390	2391	7430	3397	6485	1422	0	0	2339	0	0	3815	11233	40300	8481	43899	0	4193	37438	20214	9307	9173	8750	1865	2769	7025	8274	55728	38247	0	12895	16759	26873	28687	39644	3594	2967	6381	59800	2302	26232	0	1504	40324	Phytochemical	0.6086956	0.9130435	0.04347826
28	C23 H21 O14 N1	536.10345	536.1042	0.18119398	536.1036	4329	4911	7201	5287	10017	5537	0	0	10663	9281	2934	1371	21135	1815	0	0	0	14436	11294	9885	9923	14251	2768	0	0	0	1035	1078	0	0	0	0	1180	0	12513	0	1776	2092	0	4998	5455	0	0	0	0	15584	28199	0	0	0	6124	5806	4725	0	12568	7741	2415	1111	1120	0	0	6681	17368	9674	2461	9521	2071	1219	3673	4175	5203	947	0	0	0	0	0	0	3039	8000	3258	14591	1392	1653	12244	5903	3230	1986	2997	1243	1201	2861	0	12179	13984	0	6595	6503	6970	6376	7602	0	0	0	21178	1674	7432	0	1068	20507	Phytochemical	0.6086956	0.9130435	0.04347826
22	C23 H21 O14 N1	536.10345	536.1044	0.19033518	536.1036	8445	8083	4977	4368	16393	8058	1755	0	17735	9905	4532	1601	27137	0	1948	1767	0	13280	19022	6516	8823	22965	5732	0	1372	2028	0	0	0	1312	0	0	0	0	8817	0	1689	2834	0	4463	7065	4145	0	0	337	28403	53059	0	0	0	7825	6919	13099	0	23910	17860	6638	0	2109	0	0	13061	26241	15419	8710	14811	4929	1445	2858	0	3900	0	0	0	1071	1234	460	1707	4182	22377	6328	27333	0	2938	22740	11424	5945	1896	4515	0	1905	5727	3926	25114	26283	0	5956	11315	14506	16259	14773	0	1662	2461	37592	2017	15836	0	0	22292	Phytochemical	0.6086956	0.9130435	0.04347826
26	C23 H21 O14 N1	536.10345	536.1043	0.15291747	536.1036	4657	6608	4533	6048	7997	8004	0	0	9464	7128	0	0	24978	4531	0	0	0	19259	12642	10210	14867	11937	0	0	0	0	0	0	0	0	0	0	0	0	13566	0	0	0	0	5632	7320	0	0	0	0	15401	33774	0	0	0	6317	5713	5747	0	18236	9367	3465	0	0	0	0	5269	20387	10193	2928	9124	0	0	0	3532	3788	0	0	0	0	0	0	0	0	9583	3166	16085	0	0	11683	0	0	0	0	0	1773	1783	0	14909	20721	0	7167	5419	8741	7614	7306	0	0	0	19474	0	8437	0	0	21594	Phytochemical	0.6086956	0.9130435	0.04347826
28	C24 H25 O13 N1	536.1399	536.1406	0.1924877	536.13995	5245	3901	5431	4494	7224	4719	1044	0	7306	18070	4027	0	11745	1228	2159	0	0	9791	6973	13540	13103	10934	3755	0	0	3317	0	2508	0	0	1108	0	2250	1467	16935	0	1286	1338	903	7655	5310	0	0	0	0	19143	21413	0	1645	0	4842	3786	3149	0	7957	4842	0	1294	1205	0	1827	6335	9009	5826	2163	6135	1963	1338	5911	10756	8608	0	0	0	0	961	0	1274	2478	4949	1699	9708	0	3797	6390	2480	2135	1383	1500	0	2683	3385	2546	6177	13048	0	4745	4114	3819	1688	4468	0	0	3432	16621	1521	4274	0	1323	10054	Phytochemical	0.5416667	1.0416666	0.041666668
10	C24 H25 O13 N1	536.1399	536.14087	0.28542224	536.14	12244	14530	11758	9005	10417	5819	2915	6464	17354	34089	16886	4895	27876	4371	4953	5693	2952	14099	15285	22832	31174	34190	7462	7317	1865	5415	4216	3827	4227	3766	4062	5314	6413	3614	40072	5757	6472	5662	6356	13392	23999	4226	0	0	0	21311	55815	0	3516	5206	9508	13277	6103	0	17366	13223	5377	4184	6065	6638	0	16358	27284	17834	3664	16399	4989	5569	9032	6637	14230	5849	3892	3905	5555	4782	0	5132	9096	13702	8559	18581	4288	9093	17767	7054	7853	4971	5376	6579	3456	7024	7263	27849	30472	0	14224	11727	14001	14158	14767	6688	5395	5551	24780	6236	13938	0	3373	20352	Phytochemical	0.5416667	1.0416666	0.041666668
22	C24 H25 O13 N1	536.1399	536.1407	0.23235954	536.14	15793	17413	15499	17145	29275	15173	2992	3982	26485	51851	16433	2201	38199	10073	8723	3061	2703	41120	25687	36942	32081	44645	15651	4950	5906	9804	3465	10844	5116	2442	3825	0	7242	3620	44473	4106	3306	4279	3514	23991	22357	6072	0	0	0	84834	83081	0	2793	2249	17532	20385	12937	0	34035	22657	10175	4583	7244	5000	4978	25141	34577	30930	8995	21020	12473	2741	21171	20990	28689	3708	3014	2365	2432	2039	0	4064	9245	30618	10790	61759	8372	15752	33130	12772	8334	6935	8575	3811	3278	11175	10932	47018	57880	0	19891	19654	18606	27215	24517	4044	3446	8550	66262	3018	15613	0	5040	30370	Phytochemical	0.5416667	1.0416666	0.041666668
20	C24 H25 O13 N1	536.1399	536.1407	0.19627388	536.13995	27354	25488	31572	27160	34224	25147	8236	15105	32208	65488	25877	6625	89636	18467	15504	7903	6899	68307	50810	48597	74512	78493	17572	17830	6532	18623	8280	16534	9816	9045	8270	4167	13886	6713	80662	5510	13024	9043	7932	42299	26146	12112	1016	0	0	124045	134861	575	7912	8408	28253	26692	24238	0	56303	36257	16223	12609	15857	6927	13908	41500	72308	39824	15269	39222	22612	4392	27585	29766	18702	8268	8548	8134	8019	5827	0	8817	15359	43068	13956	82166	10468	20470	43624	26738	17129	9738	15756	12198	11518	20599	19044	63617	74522	0	31802	33910	35296	28991	34943	18921	7861	15004	95356	11415	41518	0	7300	72655	Phytochemical	0.5416667	1.0416666	0.041666668
16	C24 H25 O13 N1	536.1399	536.14075	0.18745856	536.13995	218584	207843	206007	243573	230578	127996	67076	99214	321982	563669	238048	66435	431620	94679	130777	86101	37623	260894	340142	400997	357901	519339	145255	103765	100638	138298	65976	120049	87600	58213	82460	35980	119792	78551	774745	96748	107645	108624	73808	260916	190981	84115	991	0	0	912894	524951	0	113273	82846	205939	175417	132076	482	338539	146310	106438	47258	112995	28677	22754	198534	332639	187831	79332	227986	156839	56321	182760	217224	152904	110466	102766	65489	77597	81855	0	83505	161521	220890	99258	470411	52623	214825	224413	155908	120176	79963	89665	0	76018	158208	37014	299108	502506	0	209964	209799	221445	167871	168543	102087	82167	47698	496085	28323	182625	0	105854	365578	Phytochemical	0.5416667	1.0416666	0.041666668
24	C24 H25 O13 N1	536.1399	536.14056	0.17075688	536.13995	7167	7353	8367	7530	9081	6969	1409	1831	13814	22889	3560	2306	25851	3502	2461	3224	1478	15175	14502	15831	20390	16805	3085	4192	3161	4580	0	1528	1849	0	1969	1179	1694	1663	26264	0	1842	1257	2010	7907	7508	1542	0	0	0	33831	46723	0	1746	0	6707	5062	8351	0	16707	12728	4265	2331	2575	1802	2445	12120	24206	12656	4422	12005	3320	0	9721	10868	7281	1637	0	0	0	978	0	1797	5529	10592	5238	25722	1917	4514	13890	6004	4396	2725	3792	0	2598	3051	5068	17253	23051	0	9834	6184	9699	9368	9417	0	2767	1549	35549	1532	8213	0	2493	25512	Phytochemical	0.5416667	1.0416666	0.041666668
14	C24 H25 O13 N1	536.1399	536.1408	0.20488675	536.13995	37092	45030	35936	44782	33389	22424	12038	18345	44433	107887	43949	15918	72915	16731	22044	18330	14649	54055	48519	81248	91669	103082	28938	24110	12521	21995	13761	26733	14684	12251	14431	15265	24464	14789	119382	11852	20464	15655	14993	59341	72192	20583	0	0	0	105626	165091	0	13732	12709	33181	35521	26484	0	69155	37305	18633	22229	21859	17834	33666	55527	78263	47286	18366	42203	20732	12319	26229	34291	35459	10871	10479	10762	14324	11697	0	14183	25196	68796	20083	77895	14735	28156	47103	22379	21835	21349	21580	20824	19866	25726	35697	93853	107841	0	35390	38338	36575	38578	42957	21193	14301	24382	126857	18351	40060	0	11173	63531	Phytochemical	0.5416667	1.0416666	0.041666668
18	C24 H25 O13 N1	536.1399	536.1407	0.16531421	536.13995	112986	130055	132927	121134	129131	102338	26459	58368	144862	398610	163385	26076	257041	61557	68203	55894	20707	190824	188123	258401	223759	314396	68463	65115	57171	106682	33312	79257	13338	22661	39712	39993	74986	13547	390896	27371	71794	46308	16442	183390	147140	44630	1329	0	0	418276	346158	394	57689	37372	114583	126502	91029	0	195548	119959	59197	59142	69814	34265	67131	125166	240705	119424	63686	166408	71925	33342	110051	168446	158159	61304	35790	29974	34357	8890	0	47377	67640	150228	73435	280204	45779	95321	156899	103146	63313	52940	64980	15623	52435	86452	74230	193516	281878	0	109523	112946	118617	121303	99382	49544	35490	55572	264196	43180	98229	0	40699	229534	Phytochemical	0.5416667	1.0416666	0.041666668
26	C24 H25 O13 N1	536.1399	536.14075	0.19166382	536.13995	5001	3871	4020	4010	5899	7208	0	0	8477	15401	2672	0	18506	0	0	0	0	16751	5974	12797	15377	11460	0	0	0	7030	0	0	0	0	0	0	0	0	15923	0	0	0	0	10410	11208	0	0	0	0	24283	35915	0	0	0	7883	4839	4951	0	6320	5957	0	0	0	0	0	7197	14381	5438	3400	6474	2182	0	0	8290	8226	0	0	0	0	0	0	0	4097	0	3186	19138	0	3867	6520	0	4432	0	2350	0	0	3970	0	10983	21995	0	2703	0	5912	4699	5043	0	0	0	25939	1555	7748	0	0	21994	Phytochemical	0.5416667	1.0416666	0.041666668
20	C23 H25 O12 N3	536.1511	536.152	0.18591003	536.1512	21596	23056	20156	21014	30502	18510	8584	7818	35706	102246	53013	4025	44462	12148	9473	0	2638	36568	29290	44698	73474	65365	10568	4460	13768	66126	0	41660	6120	6702	7694	5696	0	1207	138220	6638	11602	5740	0	36308	43934	8364	0	0	0	84318	66820	0	5718	1590	25334	25964	13553	0	36274	15710	10618	9201	11531	0	8662	35662	42128	27194	8522	25706	14874	0	55752	79328	90562	13260	3928	3086	9746	5247	0	5896	11864	34358	10283	53012	7170	36860	19648	18702	12678	11057	11673	6074	13052	20148	14414	66590	60241	0	23651	14672	22770	22939	18570	11723	6963	4140	56060	4610	21260	0	5575	43026	Peptide	0.5217391	1.0869565	0.13043478
10	C23 H25 O12 N3	536.1511	536.1521	0.23450108	536.15125	13223	13229	14299	10777	7860	3639	3684	11891	11161	11957	7479	8567	17017	2218	6424	11516	9707	12902	12144	7733	14308	26092	9644	11358	2586	0	7744	0	7998	8429	6046	10174	12537	11168	18197	10333	11479	8701	10654	14645	19085	6499	0	0	0	17227	27613	0	8293	9476	11339	12519	8070	0	15628	8695	5088	12198	8854	10462	10040	9401	17881	17017	4577	11842	6314	11222	0	3565	4870	9137	7045	7066	8370	6232	0	6986	12255	0	6463	12632	5849	3636	12278	4305	10037	5990	7921	18497	0	7673	17284	16001	13083	0	10819	10456	6128	9917	10275	11326	9143	11556	15443	12676	4879	0	6990	17315	Peptide	0.5217391	1.0869565	0.13043478
24	C25 H29 O12 N1	536.1763	536.177	0.146652	536.17633	13710	13459	13038	11810	20954	13033	0	6738	18115	51028	14169	4072	42025	8884	7921	4453	2048	27859	16515	34029	35077	16675	8374	8482	5216	22231	1537	9600	6512	3340	4733	3811	5414	2673	43471	5082	10511	4136	4043	27618	12488	5180	0	0	0	43495	43638	0	5785	5016	15710	12844	8876	0	27386	16920	4322	4128	6285	3947	7033	18401	29802	13579	5471	16412	7831	2835	20897	33127	23287	7184	4102	2920	3136	4982	0	4764	9523	11232	8873	33015	4356	16284	18478	10121	8088	6096	5331	3627	6654	7937	6899	16535	23301	0	11191	14292	13930	14260	13851	3236	3613	7579	36322	4701	16837	0	3699	35353	Phytochemical	0.48	1.16	0.04
12	C25 H29 O12 N1	536.1763	536.1772	0.19095547	536.17633	44264	33470	37435	32269	23973	19679	20596	32258	31818	88125	35741	18460	34987	9808	25571	28523	25582	32822	33302	71462	88624	80628	30273	32806	19343	31227	13449	26278	29330	23201	24725	24825	29834	28638	128512	25597	28764	22464	29083	63016	71604	14827	419	0	0	69667	69677	0	24806	27523	38543	34999	24638	0	37206	18581	15058	29410	24859	19304	29706	51094	48785	31661	11980	30782	19978	23595	35143	53088	42350	27208	20728	26959	18215	23320	0	19502	29098	30321	22380	43921	23606	39163	25911	15891	31071	15205	16992	42866	21120	38468	39902	54786	56660	0	41342	50582	26641	18288	20432	28730	19245	31847	64274	31227	24609	0	23229	37087	Phytochemical	0.48	1.16	0.04
22	C25 H29 O12 N1	536.1763	536.177	0.13626865	536.17633	35537	31570	35887	34223	46390	32881	9710	18626	44932	98949	29776	12157	63800	27906	23779	16658	11085	50503	44722	76421	71679	50135	19944	24660	21346	42585	7545	22789	20948	15962	19021	12736	21588	11887	99457	16514	17451	11947	11076	65530	28926	20323	0	0	0	91663	94554	0	14797	18319	27337	33875	25362	0	58656	37641	15339	21856	20931	5589	21867	43060	60686	33969	16025	38754	24994	8599	45217	63042	38731	11520	12871	19397	12323	11594	437	20425	24024	24435	22464	61769	12732	32916	42809	22716	19803	15798	16297	4707	19338	22357	26813	37488	68459	0	30262	36674	34488	27021	27604	15402	9529	22375	72514	17658	33629	0	13600	62900	Phytochemical	0.48	1.16	0.04
20	C25 H29 O12 N1	536.1763	536.17706	0.15508969	536.17633	204255	179381	208312	203990	200353	156902	76106	167558	256904	619437	274290	71141	340075	125690	127292	108949	71892	227749	260232	498558	473611	317038	145033	142617	122771	352715	71514	241533	118182	96661	110570	100521	134380	99577	657922	112600	174749	93722	65524	341073	257326	75253	4837	0	0	444824	345278	0	120297	101578	218032	226884	159160	428	236427	158353	97691	109218	136102	50920	145351	236454	297951	183541	94799	212643	110609	69213	318364	500932	440983	135845	108012	119216	58156	108351	0	107909	144272	179916	105125	237548	98139	287309	172801	126786	119749	91722	106204	78267	139838	153763	130040	213884	305552	0	199525	215866	192032	149184	145625	134474	58927	158318	344799	121669	152872	0	102185	287519	Phytochemical	0.48	1.16	0.04
26	C25 H29 O12 N1	536.1763	536.17706	0.21448782	536.1764	6492	5307	8026	7299	7721	6440	1952	0	8465	25612	5287	0	16619	4618	0	0	0	14039	11924	17801	20414	7874	0	0	0	7732	1715	3198	0	0	0	0	3241	0	25544	0	0	0	0	11279	10195	0	0	0	0	19708	24484	0	0	0	8720	7877	4567	0	13633	6550	4208	4001	0	0	0	10681	14566	9034	0	8833	3168	0	8383	25135	12183	2864	0	0	0	0	0	0	0	0	4325	12235	0	9328	9624	0	3570	0	4842	0	4178	2947	4591	8583	14338	0	7800	8567	5176	7825	7260	0	0	0	15176	1895	5054	0	0	15912	Phytochemical	0.48	1.16	0.04
14	C24 H29 O11 N3	536.1875	536.18823	0.09738118	536.18756	204709	194214	169953	170171	99899	73093	143202	208625	130951	310351	147717	107556	146068	66301	151455	198618	117799	138606	179925	314281	286672	309761	167092	189879	150103	116791	117775	51248	174767	139861	154650	144093	192937	131221	395080	155478	136324	138267	114056	247848	198737	87507	0	0	0	266042	279304	0	162772	154108	173054	162935	100341	0	191879	94188	83816	205132	255023	89676	177841	196015	186962	132536	75371	144980	111536	134197	73384	170615	143912	150744	129590	154833	98928	153487	0	123731	71059	85657	127302	177253	138648	155359	118971	71211	149449	110049	93052	213032	141076	222350	101839	171505	225297	0	205633	159967	90608	94334	85492	197586	112966	237162	123844	171119	91391	0	129529	153622	Phytochemical	0.45833334	1.2083334	0.125
16	C24 H29 O11 N3	536.1875	536.1883	0.047178905	536.1875	21179	16233	16897	15427	12191	6905	15476	23862	12390	10177	5619	10682	14749	0	13946	18688	15661	15495	22403	18938	11011	24612	21860	26881	17315	0	14063	0	20944	18820	20617	19254	23226	16905	0	20445	22673	15173	12323	23203	8511	12219	0	0	0	13785	0	0	22606	14456	19057	17802	9662	0	37058	7003	8292	18620	23884	10440	23916	10203	16600	15320	7950	18650	11515	15013	0	0	0	18953	0	24284	11697	18265	0	20802	14952	7611	18476	9196	19414	10771	7308	8057	19525	11363	12601	0	18227	27799	0	6845	14062	0	13467	21671	0	6575	8804	25368	14184	19792	0	24002	8652	0	19989	16932	Phytochemical	0.45833334	1.2083334	0.125
12	C24 H29 O11 N3	536.1875	536.18835	0.12894578	536.18756	44165	33962	34789	35609	17683	16839	27831	0	21475	23272	13497	24759	20607	6750	31752	37530	33115	23671	30954	41384	27109	63992	34723	49580	34174	0	24329	10249	35963	26333	34427	30142	42144	33597	40182	33161	31946	32232	37813	37410	27156	14067	307	0	0	37261	30546	0	30300	29034	30079	37516	16517	0	30757	13392	13323	47604	38241	26464	27034	22965	24611	21111	10099	22884	16933	35794	0	8699	9370	34101	33289	30391	18376	26894	0	29413	34146	16386	0	21649	30075	17875	13573	16042	34356	15868	18676	59000	32035	47714	82562	24025	26278	0	26220	32697	14771	12120	14155	36251	23222	33131	0	42013	14496	0	33963	25294	Phytochemical	0.45833334	1.2083334	0.125
10	C24 H29 O11 N3	536.1875	536.1884	0.13316812	536.18756	32690	27837	26405	23523	15355	12413	23026	41084	16580	25902	10666	23148	23344	6432	25165	35609	26839	21922	26928	28520	27794	57752	31030	43217	25942	2471	21330	5005	30319	20782	25813	33250	33094	24050	32337	26196	36016	20572	29454	33960	26779	12413	0	0	0	33705	29713	0	38785	26317	27516	27941	14933	0	25075	12582	10377	36397	35598	25378	42908	20253	21365	16616	10357	19819	14923	32506	0	12270	7884	31692	25444	21453	15863	27190	0	22845	27724	14273	21233	20653	20763	14805	14189	11736	26702	16573	17591	45841	31247	29977	57983	19944	21413	0	29927	33504	8804	14471	11214	33023	20596	37546	20090	34486	13210	0	26518	26034	Phytochemical	0.45833334	1.2083334	0.125
24	C29 H29 O9 N1	536.1915	536.19226	0.012807511	536.1915	3906	4677	3000	5281	2550	1518	1371	1481	3126	11175	17277	0	3016	2252	0	1969	1988	1752	1615	9479	10916	2641	0	0	0	16967	0	18287	0	1320	0	1246	0	0	11817	1919	1643	766	0	12430	12016	1445	0	0	0	9699	10456	0	1548	0	3294	2752	2470	0	1759	1544	934	2191	1616	0	1721	5371	3889	3473	1314	0	3057	2648	21394	19180	30066	0	0	0	0	0	0	0	1154	6186	0	5474	1792	8415	2532	0	3634	2670	0	0	0	2444	4018	7472	8701	0	2105	3743	2133	1165	2079	0	0	2331	5903	1837	1602	0	1596	0	Phytochemical	0.31034482	1.0	0.03448276
24	C26 H33 O11 N1	536.21265	536.2134	0.09139045	536.2127	110407	105615	100332	106003	100934	85163	26474	69196	122046	276654	88223	37814	176832	50049	64454	68327	37264	141813	148931	242537	231844	96200	81190	85316	67016	162563	23736	75197	61488	50200	67122	63312	64985	88994	293072	53166	111082	56656	40027	137171	96797	48818	0	0	0	171354	138992	0	63222	51518	94983	96299	75613	0	159935	91544	45359	71485	62508	23278	62020	94820	165705	107267	41193	129319	66490	39169	151701	286769	210048	70712	62994	43330	37483	45113	0	46123	83216	51129	72238	95548	35465	93720	124110	54502	64942	45742	53791	37273	60993	78564	100803	62944	114665	0	112658	89981	76903	88016	84801	50457	37174	66632	106462	52974	82488	0	42638	182437	Phytochemical	0.42307693	1.2692307	0.038461536
20	C26 H33 O11 N1	536.21265	536.21344	0.13114195	536.2127	813531	804801	702858	778599	596771	510406	368305	731319	686950	1900372	965181	397698	820358	375974	624705	663075	356550	753758	943044	1694517	1478986	772983	623093	747786	531824	1827810	345411	754135	708318	572717	608636	620164	714423	573440	2093075	656444	744535	445150	355813	1129067	622303	456159	12641	0	0	1005718	666125	0	639451	557807	750422	764816	558361	407	961607	550561	278189	660324	1146244	305022	611510	679844	829900	574970	302194	618803	443567	419959	914346	2925584	1301327	657050	592449	663334	324665	523761	265	504054	647599	377371	546822	470882	487546	747070	592651	353855	555983	344575	389889	439381	668833	691135	864690	477056	748665	774	717383	803699	587716	485621	508043	630392	438678	709314	629640	540910	491239	0	469656	1766997	Phytochemical	0.42307693	1.2692307	0.038461536
26	C26 H33 O11 N1	536.21265	536.2134	0.12544978	536.2127	15561	10885	14510	11783	13839	7663	0	13084	15095	31632	12618	3578	26844	7580	8958	8531	0	20581	17562	37307	37631	15167	10022	7512	0	24514	3566	8732	6593	0	7764	5434	8623	8027	38322	0	9124	6723	6964	21913	13767	6618	0	0	0	22379	26709	0	8849	6955	11174	10727	9169	0	19491	10125	3041	7216	3888	3387	7433	10128	25295	14000	3607	14722	6447	3114	25507	49372	37226	7798	6854	0	0	3484	0	4647	9626	6442	9277	12287	3695	13357	14508	8010	5311	6916	6129	3342	5940	8881	12047	6142	16451	0	11356	10438	7095	13458	11523	7203	3059	6457	12665	7000	6523	0	7357	25204	Phytochemical	0.42307693	1.2692307	0.038461536
28	C26 H33 O11 N1	536.21265	536.2134	0.16245845	536.2127	6544	3701	4780	5747	6029	4733	2006	3995	6162	16835	5108	1912	13288	2111	0	3662	2185	8227	6129	17689	14941	6430	3635	4906	2654	14900	988	5601	2964	2516	2716	2181	2950	3918	22030	2792	2245	2164	1163	7659	5129	0	0	0	0	10580	8011	0	4659	3794	6195	4545	5611	0	6474	5566	1253	3506	1920	1574	3009	3945	9954	3082	955	8280	2111	1384	14203	30769	20651	3651	1708	0	0	2113	0	1871	3254	2706	2699	3595	2136	5799	5323	1936	3388	2287	2611	1714	4336	4464	5638	3284	5371	0	4162	7022	4201	3949	4994	2816	1830	4408	5180	2420	3081	0	2012	8310	Phytochemical	0.42307693	1.2692307	0.038461536
12	C26 H33 O11 N1	536.21265	536.21356	0.14007501	536.2127	26116	24636	34088	19678	14308	12447	17452	35860	16700	56928	29046	14690	22852	8734	20253	22142	25690	16258	27827	62584	53705	51876	28772	36276	20357	28975	16564	25134	25128	25066	28211	23857	30549	20314	74072	26919	25354	20802	30619	43798	48598	13783	0	0	0	46824	37986	0	28377	32262	24269	23441	11128	0	26316	8827	11600	30373	26221	20010	32179	31119	26413	17273	8147	22214	17153	26391	22518	44538	34256	24142	22988	30026	18681	20804	0	20638	21864	22369	19695	22104	18332	26452	13920	11810	19649	11911	15666	36122	21940	32391	40355	26759	31261	0	33240	35651	13449	10650	10413	31668	16217	38375	0	26813	11413	0	23138	20563	Phytochemical	0.42307693	1.2692307	0.038461536
22	C26 H33 O11 N1	536.21265	536.21344	0.12815748	536.2127	76371	71747	71010	65882	72979	62160	28591	65573	76516	198997	81922	35814	105916	42137	51478	57959	26881	117560	92161	194540	156572	75480	58020	60665	49128	125516	20302	70284	60034	45037	51567	52273	54987	51924	176030	56284	65331	37414	24879	108125	60385	35916	0	0	0	142330	102912	0	53602	48454	79268	76352	58605	376	106250	81678	37930	49398	54745	26894	53059	74611	99631	68074	32650	85543	46584	27065	114906	180240	130127	61831	46319	52197	29504	47728	0	41521	55046	39539	53008	74586	36895	65517	83745	54360	51442	39686	38922	25982	56091	64087	78620	44580	88222	0	63480	83219	65239	56675	58103	58768	32806	64730	82113	55701	62422	0	41263	114403	Phytochemical	0.42307693	1.2692307	0.038461536
14	C26 H33 O11 N1	536.21265	536.2135	0.13075107	536.2127	52709	62624	51293	58897	32523	33152	43140	70332	36206	100090	50916	30666	45865	15433	43111	63544	50776	34600	51228	117786	113812	66502	46552	76735	46526	66442	30238	43972	52029	58056	55651	67698	61669	43183	123906	59476	55370	38231	42524	91412	72802	34411	0	0	0	71002	93382	0	56760	60485	52185	49768	30609	0	52138	31109	19521	56444	64291	51601	63101	53602	39044	33374	21723	29728	29122	48335	56891	79238	67786	57139	44901	57684	50562	49256	0	35516	45721	36958	40580	39649	39010	45821	37228	24481	45203	25387	34717	66902	58109	47718	81240	38576	61576	0	58995	64375	26819	27717	29665	63744	35970	81773	44439	43562	28442	0	40337	42769	Phytochemical	0.42307693	1.2692307	0.038461536
16	C25 H33 O10 N3	536.2239	536.2247	0.2187379	536.224	90465	85818	104483	88482	46552	36104	73025	91319	64735	163148	93042	64819	57267	25581	95241	89699	59325	56346	83745	152224	115488	87386	76761	104000	77317	103761	61557	75351	93002	90040	102118	90470	100486	71386	162682	88735	92510	81764	98795	97188	81978	42399	1572	0	0	99833	93521	0	109835	94598	81036	76374	53721	0	84394	56841	32946	100939	57877	65187	93009	69204	100020	56736	30063	59106	61027	93624	90216	127173	137661	69406	81274	96260	65384	83676	0	61871	94909	37029	86704	79910	73451	71880	68412	44211	95212	44582	45664	0	96254	105279	0	60148	73913	0	98909	88602	54340	56593	58941	82320	46675	107875	57900	74073	46911	0	91942	77663	Lipid	0.4	1.32	0.12
14	C25 H33 O10 N3	536.2239	536.22473	0.16960031	536.22394	20360	13057	17597	16061	8987	8364	18960	20143	11385	13588	6396	11786	10399	0	20911	21800	10791	6972	15678	14299	11596	27142	17104	33523	28008	3635	13795	0	20430	14067	18346	28622	24499	17418	18567	15926	22020	18813	16557	19375	7288	10555	0	0	0	15117	9361	0	20102	15544	19332	17135	8237	0	14461	7078	7249	28815	28600	8593	27635	11440	8612	12628	6070	9575	10842	11172	0	8131	0	17725	12996	14500	11992	18438	0	14085	16293	0	17520	10020	22554	12615	7611	9201	25681	8955	11345	20782	27136	31414	51505	8680	12215	0	21620	18578	7748	5847	9355	23203	13580	30812	0	23114	7399	0	21082	10007	Lipid	0.4	1.32	0.12
12	C25 H33 O10 N3	536.2239	536.2248	0.19727315	536.224	11555	18465	19416	14049	8248	9666	16836	28387	8203	11273	3787	9251	8341	5330	23698	20476	12468	12397	15269	14858	13080	29213	19694	29051	23155	2478	13635	0	23458	14048	21374	17642	27806	17370	26886	18373	25932	16910	15436	23215	9802	8258	0	0	0	25389	12921	0	22905	18257	17159	12965	9912	0	14066	6882	7725	24806	20308	10234	17838	15672	8962	11486	4693	13189	10207	16598	0	7710	4010	19943	15848	14005	8988	13444	0	15083	20131	0	13742	11968	19900	8918	7955	6968	19819	8929	7917	37199	23310	34092	46675	17611	12497	0	15899	15257	6633	7186	8554	18004	12246	18490	0	26411	9454	0	20508	7408	Lipid	0.4	1.32	0.12
10	C25 H33 O10 N3	536.2239	536.2248	0.16570988	536.22394	17558	17317	13651	14632	6183	8236	12990	20285	8481	11693	5494	12937	6435	3276	15164	17565	10497	8732	12872	14340	12037	27892	15827	27929	18763	1969	7949	5239	20947	13257	13443	23085	26933	18818	18930	16377	20580	15732	14851	16908	13421	5969	0	0	0	15477	11125	0	19344	15363	16092	16348	9146	0	11703	6319	5886	21208	17364	6759	21328	9787	7859	6091	6221	8723	9564	16937	0	5003	2682	20552	14483	12347	10464	15838	0	12044	16506	6906	11188	8546	13834	8003	4039	6333	16582	6671	8049	20568	28763	25829	42609	7526	13397	0	16945	16456	3983	5699	5182	18354	8761	21970	0	23485	5274	0	17871	9173	Lipid	0.4	1.32	0.12
6	C29 H33 O7 N3	536.23914	536.23956	-0.69370395	536.2388	3583	2403	1424	1595	0	1801	1110	1678	1312	0	0	1108	1140	0	1511	4745	1448	1493	1381	0	1123	3149	1345	2087	1910	0	0	8397	2382	1469	1589	3007	7654	1301	1361	0	4658	1653	1973	0	0	0	0	0	0	1459	0	0	3040	1302	2510	3051	0	0	748	1133	864	1570	1166	815	2583	0	940	0	763	1222	706	0	0	0	0	1408	1640	2547	1731	1782	0	2400	2494	52202	0	876	1105	0	856	1076	1533	0	683	2074	38001	12609	4057	3172	1666	0	2814	1666	1011	730	0	4476	1231	1794	0	2724	0	0	2133	1462	Phytochemical	0.2413793	1.137931	0.10344828
12	C27 H37 O10 N1	536.249	536.24994	0.21538475	536.24915	16185	12888	13187	12814	3816	6530	7880	9175	5945	16919	7807	7778	7152	3789	9646	14228	13965	5766	10386	26473	19512	14136	11526	20037	14071	9034	6446	0	11213	12623	11904	17823	14580	9874	22088	12626	14279	6993	12850	17620	8424	4936	0	0	0	14436	6429	0	15946	16433	14159	9729	7711	0	8783	2567	2905	9446	0	0	0	8826	6240	3029	3196	6124	8725	13135	0	20555	14174	11355	12876	12594	11300	10451	0	9997	6786	0	6751	5771	8265	8388	4271	5495	8882	4471	6034	18087	19763	14373	21759	4735	8010	0	9809	14931	5058	3499	2670	13184	7256	15203	0	10592	2738	0	9051	9558	Lipid	0.37037036	1.3703704	0.037037037
22	C27 H37 O10 N1	536.249	536.2497	0.14652054	536.2491	158222	138686	145727	149484	146711	123531	0	162940	140461	285305	155087	76214	174052	85439	121308	148133	0	195618	189396	334625	303697	142238	0	165811	129263	294332	65183	132486	153929	127296	120339	140315	147671	0	301537	0	155551	99276	72201	0	120021	95499	3849	0	0	206468	130407	0	132710	143744	142712	134073	0	265	192450	125845	74495	142532	124089	57410	169049	129775	181170	137191	66089	146741	108664	81366	235771	416829	291335	141192	124456	125831	0	124696	0	107153	139324	69275	114880	104504	92206	111977	163344	103805	123090	0	96994	82401	150492	176183	0	80016	158265	0	134711	165754	103976	114347	116922	153153	83843	157471	108168	130968	124130	0	88462	192822	Lipid	0.37037036	1.3703704	0.037037037
14	C27 H37 O10 N1	536.249	536.2499	0.14814466	536.2491	24567	27480	27643	23029	9216	8854	21062	35470	13758	33939	22343	21723	16642	9774	20696	27886	27003	13166	16015	51780	43326	26359	23813	35357	22904	32168	18628	15659	29375	31466	21582	25336	37550	19342	41405	29695	25503	18991	24952	26925	25094	17989	0	0	0	23000	17568	0	24556	22032	23633	22299	7714	0	14538	12099	8222	26935	19253	17961	30955	12571	10795	17711	8005	10737	11767	27917	0	33514	27537	28893	24757	28034	23632	25466	0	21702	21810	18046	17969	12751	22171	16481	15061	9308	22344	12143	13671	28769	26470	22036	47302	16674	21585	0	19315	25677	9052	14050	13267	19727	14675	35203	0	27383	11373	0	19613	8721	Lipid	0.37037036	1.3703704	0.037037037
24	C27 H37 O10 N1	536.249	536.2497	0.10218206	536.2491	303792	289599	82300	287704	69866	472850	112764	277529	319221	652175	273427	37188	504453	172786	68780	70992	127497	377754	447550	668833	121316	275498	286478	77674	218900	540601	25524	67598	82214	63274	65850	74842	85532	59164	964434	258492	348249	180520	149694	406704	211480	45550	0	0	0	365348	252160	0	76146	226491	308631	276395	223186	0	428622	292996	128443	74854	236530	96409	66124	243543	407396	312519	127585	310125	53500	133846	71492	185668	621679	261929	232504	65910	29912	54122	0	57778	278696	122868	200585	185948	165927	214708	332488	200245	227292	139851	54514	153203	259293	105068	103688	141759	263085	0	305097	334340	214282	248063	281360	261016	141678	315090	223303	73040	51252	0	149370	105608	Lipid	0.37037036	1.3703704	0.037037037
26	C27 H37 O10 N1	536.249	536.2498	0.05819413	536.2491	21973	17624	21970	17151	30436	20883	5859	20051	29662	44406	23754	11436	55530	15914	13802	25913	12228	30008	42510	59217	64160	19447	22080	23806	11587	61465	7462	19572	15866	15156	15191	12702	17541	17204	49230	19356	0	11293	11175	31500	22494	9385	0	0	0	30707	23380	0	17203	14919	21739	25953	24587	0	29247	30253	14251	19723	12835	6900	20544	23528	33451	24781	7126	0	18130	11414	53270	94219	81053	18936	15364	13557	8624	13497	0	15128	25910	6309	18337	13791	8238	18410	34372	13956	19401	16278	11056	13677	12320	17807	28155	8302	27726	0	27225	26278	20174	21354	26792	19155	9761	22122	17808	14328	18451	0	11066	42868	Lipid	0.37037036	1.3703704	0.037037037
28	C27 H37 O10 N1	536.249	536.2498	0.1335423	536.2491	8112	7662	5594	6823	10905	5684	2437	5149	8017	19422	6993	2406	16778	4046	4078	7190	6735	8735	13522	20584	19272	5374	6463	6994	3431	29362	2069	8805	5183	4089	4848	5018	6097	5712	21824	6727	7701	2928	5445	13196	10130	4360	0	0	0	7337	8640	0	5257	4603	6779	8271	6308	0	7391	5905	3626	6998	3132	2200	7108	6941	12904	7692	2084	9908	4141	3127	23524	41885	41236	4697	2761	4281	3165	4736	0	3628	8163	2597	5332	4493	5634	8041	9004	4604	7852	2997	3560	5027	9161	7628	7978	5051	4906	0	6250	10590	4665	9197	7331	5747	3584	7604	4596	6214	6796	0	4281	12410	Lipid	0.37037036	1.3703704	0.037037037
18	C27 H37 O10 N1	536.249	536.2499	0.09349073	536.2491	108092	116557	116816	114396	82962	68841	73821	152677	76107	144178	95872	79473	111729	54934	98685	152284	93350	109181	129446	222191	196043	108112	120495	158170	102091	192759	68422	99648	160407	124010	108270	128715	126222	133838	143737	135767	121056	0	87292	129131	100414	0	2258	0	0	119672	96827	0	0	0	117666	106358	72322	414	102541	78798	55430	121109	91052	70975	0	94676	90821	78967	48167	89815	75257	91910	160374	207297	189467	114834	110805	132042	114389	140243	0	82136	108374	62392	89132	65655	0	87045	102140	70925	0	65184	74485	98627	118892	142425	171387	60721	109206	0	111917	127154	80243	65281	83583	130588	75434	143386	66746	107400	73131	0	87412	96484	Lipid	0.37037036	1.3703704	0.037037037
20	C27 H37 O10 N1	536.249	536.2497	0.13180055	536.2491	165453	165037	158645	156502	147408	125305	91345	209894	145591	268015	141413	109425	187937	104054	0	0	0	185695	220254	365664	311961	157516	0	216102	140809	327586	84888	136645	199782	160947	153126	155082	177184	163705	263915	181302	169253	109381	102801	224342	136582	116325	3517	0	0	210994	151302	0	153482	0	151738	165216	124242	582	184925	142152	76659	174711	136200	87070	184032	143427	163146	146215	71523	143463	0	104411	244366	409649	328663	170244	0	176706	121722	0	0	0	155812	83563	120427	98924	118668	189845	167331	110427	148555	104047	109595	117578	153088	189435	0	82392	133425	0	162077	189407	126322	104413	131807	185507	102609	202592	129592	158830	138221	0	114489	178890	Lipid	0.37037036	1.3703704	0.037037037
24	C31 H37 O7 N1	536.2643	536.26495	0.034937255	536.2643	2901	4848	3667	5675	2072	2303	0	7586	1422	3402	10969	3317	0	1603	2554	5525	4343	2155	1889	6538	8935	3383	3277	3118	5611	21442	0	10457	5118	3536	4083	3949	3993	4216	6422	6594	5503	3201	3691	7676	6878	2770	0	0	0	6888	3620	0	5927	3362	1587	3320	2653	0	0	0	1512	6054	4344	2866	6504	6110	2245	1175	0	3565	1291	4824	16794	11664	16725	3066	3477	3208	1907	2308	0	3860	4456	2490	2142	3009	2508	6432	1978	0	7899	2686	4069	8470	4152	6697	10947	4414	2814	0	3080	2945	1096	2156	0	4295	1995	6257	0	5598	3340	0	4915	1677	Phytochemical	0.22580644	1.1935484	0.032258064
16	C31 H37 O7 N1	536.2643	536.26447	-0.3571784	536.2641	27390	19644	26637	31495	9297	6501	33438	43899	18009	21891	21759	21240	16107	9206	33861	36032	22920	0	26814	34216	6714	24510	24331	34692	21411	36229	20787	17445	19245	36153	31410	34116	34020	20993	28726	33756	29076	26346	31515	20078	18153	9688	0	0	0	19962	20505	0	45886	26965	28396	23130	19560	0	22854	16887	16544	53025	15831	11676	31638	10941	16710	15975	12534	15162	11859	52041	23451	26789	33636	19892	19690	36730	26634	37757	0	26722	37725	13950	20538	12844	25494	13805	19752	14603	39747	13370	17937	0	34166	24240	0	13786	18735	0	35775	26076	16734	25458	34329	19920	17787	32310	10113	0	16905	0	31187	12150	Phytochemical	0.22580644	1.1935484	0.032258064
6	C25 H37 O8 N5	536.2715	536.27216	0.26821417	536.2716	1564	960	0	1008	0	10391	633	1027	0	0	0	562	0	0	0	1734	0	0	0	0	0	720	626	1021	718	484	819	7748	1268	725	1810	1362	2784	781	0	0	1891	1165	1124	0	0	0	0	0	0	0	0	0	0	0	1402	0	0	0	740	496	437	1021	0	0	0	0	0	0	0	0	0	0	0	0	0	887	0	0	0	0	0	634	0	35773	700	0	0	0	0	0	0	0	0	0	19995	6766	1046	3128	0	0	0	1068	0	0	0	0	1172	0	0	0	0	0	0	0	Peptide	0.32	1.48	0.2
8	C25 H37 O8 N5	536.2715	536.27264	0.3379145	536.27167	0	1759	1595	1806	700	4635	0	0	0	0	1751	859	1644	0	840	1252	1210	1010	0	0	0	0	0	1050	0	0	710	23302	0	1577	1063	0	1709	942	0	1145	2274	683	0	0	766	0	0	0	0	0	0	0	0	0	1146	2479	0	0	0	666	0	0	0	1519	0	0	932	0	0	0	0	1773	0	0	0	0	0	1142	802	862	0	660	1370	125029	0	0	667	0	862	0	1225	0	786	1453	108450	33412	2272	7439	0	0	1367	1943	0	0	0	2089	906	0	0	1616	0	0	1579	0	Peptide	0.32	1.48	0.2
16	C25 H37 O8 N5	536.2715	536.27203	0.46293765	536.2717	0	1613	2180	0	0	0	1588	2020	1286	0	0	0	0	1023	2733	0	0	0	0	0	0	0	0	1770	3231	0	0	0	0	0	0	0	4124	1234	0	2833	1685	1754	0	1401	0	0	0	0	0	0	0	0	2251	0	2073	0	0	0	2289	0	1129	1980	2380	0	0	0	0	0	0	0	0	1497	0	0	0	1460	1761	2704	0	2658	0	0	1436	0	1158	0	0	0	0	0	2105	0	0	0	20309	5169	0	1412	0	0	0	0	1038	1653	1828	0	0	0	0	0	0	0	1146	0	Peptide	0.32	1.48	0.2
10	C25 H37 O8 N5	536.2715	536.2728	0.35126975	536.27167	3030	3349	2649	2074	0	4221	0	2291	0	0	2565	0	0	0	0	2073	0	0	0	0	0	0	0	0	0	0	0	44729	1832	0	0	0	0	0	0	1851	0	0	1498	0	0	820	0	0	0	0	0	0	2897	0	1795	1766	858	0	0	0	0	0	0	0	0	0	0	0	0	1049	0	1558	0	0	0	0	0	0	0	1424	0	0	1673	171039	930	0	0	0	0	695	1000	0	0	1172	246975	67220	3229	14607	2470	0	3107	2240	0	0	0	1255	776	0	0	0	0	0	0	0	Peptide	0.32	1.48	0.2
12	C25 H37 O8 N5	536.2715	536.2723	0.47477725	536.2717	0	0	3619	2436	0	3101	0	0	0	0	0	0	0	0	985	0	0	0	0	0	0	0	0	0	1433	0	0	38598	1752	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2442	3222	858	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1175	0	0	0	0	1425	179121	0	0	0	0	0	0	0	0	0	0	254615	74119	0	18063	1284	0	2811	0	0	0	0	0	1182	2270	0	0	0	0	0	0	Peptide	0.32	1.48	0.2
26	C28 H41 O9 N1	536.2854	536.2862	0.07952073	536.28546	53416	48288	49230	41290	70200	36725	14900	49267	54217	71539	47880	20805	74812	32391	41696	47993	26085	60232	80892	93232	96610	45024	44053	58978	40224	128132	18724	49710	53226	42929	39036	36357	0	34887	101777	48703	0	30018	26398	62645	40623	33187	0	0	0	48949	38816	0	42876	37261	48146	40483	44472	0	69456	60407	25647	0	39101	19284	51310	40065	67024	56222	18517	53651	39017	26829	101708	150209	0	41560	37003	44232	21631	36995	0	31953	49180	22546	36182	31592	32683	42192	65702	44264	45686	22775	29433	32913	53727	57323	73202	22769	41776	0	44258	55905	43615	57927	60400	49989	25314	50624	27201	41191	56423	0	32442	61455	Lipid	0.32142857	1.4642857	0.035714287
18	C28 H41 O9 N1	536.2854	536.2862	0.064996354	536.28546	34793	33924	32860	28787	21293	21497	27554	45502	20607	21570	22743	27801	28753	14539	32257	48353	39372	16832	36165	45055	37586	19986	34871	42500	28593	49872	22043	22569	37197	30983	33847	42628	42231	26691	21787	45131	38531	25798	36576	21053	29898	24596	542	0	0	23951	21797	0	39674	33767	30639	30090	17948	0	35191	25567	17271	43697	16537	24597	40441	14433	20529	21465	14630	21668	15028	38962	40132	44096	53601	26064	26227	32780	43370	28762	0	21887	31986	19543	26848	14640	26354	16252	35333	24134	30814	16359	15519	36379	30161	36829	45974	11747	24299	0	27089	37182	18354	25406	35791	42764	22603	44234	16888	23227	26336	0	22139	18555	Lipid	0.32142857	1.4642857	0.035714287
20	C32 H41 O6 N1	536.30066	536.3012	0.12143138	536.3007	0	0	0	0	0	0	31533	1836	0	0	0	13182	0	0	3330	7755	0	0	0	0	0	0	0	0	0	0	27598	0	0	0	0	0	0	0	0	0	0	3426	0	0	0	0	0	0	0	0	0	0	0	3372	0	0	0	0	0	0	0	0	0	0	1501	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10938	0	0	0	0	0	0	0	0	0	0	0	0	2945	0	0	0	0	0	0	0	0	0	0	0	11321	0	0	0	0	0	0	0	Phytochemical	0.1875	1.28125	0.03125
8	C26 H41 O7 N5	536.30786	536.30865	0.41640946	536.3081	0	0	0	0	0	1202	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61325	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	990	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34790	0	0	0	0	0	0	0	0	0	0	60302	7835	0	0	0	0	1162	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26923078	1.5769231	0.1923077
14	C26 H41 O7 N5	536.30786	536.3085	0.24428996	536.308	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10381	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	79914	0	0	0	0	0	0	0	0	0	0	100408	12134	0	5418	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26923078	1.5769231	0.1923077
10	C26 H41 O7 N5	536.30786	536.30817	0.070484884	536.3079	0	0	1280	1181	0	3089	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	70038	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	972	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91665	0	0	0	0	0	0	0	0	0	0	154598	27505	0	4403	0	0	0	0	0	0	0	0	946	0	0	0	0	0	0	0	Peptide	0.26923078	1.5769231	0.1923077
12	C26 H41 O7 N5	536.30786	536.3086	0.11095744	536.3079	0	0	0	0	0	1930	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22578	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	135980	0	0	0	0	0	0	0	0	0	0	152488	42591	0	7231	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.26923078	1.5769231	0.1923077
28	C29 H45 O8 N1	536.3218	536.3225	0.061241362	536.32184	7661	7840	8049	8593	15659	4659	8376	9338	10996	5343	8110	2957	12140	5771	6206	5431	6735	7307	16077	9500	11195	6736	7935	6718	11650	23797	6466	10097	13054	10138	7348	7533	11361	7667	10340	9869	10255	5486	8004	9307	8191	6887	0	0	0	7557	6879	0	6397	8044	9578	7543	12469	0	19686	13734	5480	8053	6951	5001	8273	4555	9898	10902	4258	12105	10833	8276	19902	19050	20841	5380	5257	9132	3869	6906	0	5759	12764	6329	5449	6344	7648	9468	20853	9974	16728	6097	5076	6959	11229	10973	8893	7524	4535	0	9043	7962	8144	22257	25409	12697	4207	10431	4605	9638	16039	0	6367	8971	Lipid	0.27586207	1.5517242	0.03448276
20	C29 H45 O8 N1	536.3218	536.32263	0.20832863	536.3219	5912	5976	8436	9238	10054	5980	6300	9542	7781	3822	3691	10542	7075	4064	10673	19858	22589	5529	10501	6580	6784	4562	8313	9604	8967	11716	7963	4725	13808	13976	10832	10493	11888	7652	3243	14870	10151	7977	17917	3013	5802	5961	0	0	0	2030	4354	0	12770	9507	7168	9262	7900	0	15038	7791	8335	8619	2292	10069	10376	1173	5806	11798	6178	6740	6878	22680	10610	10600	9910	5792	5213	11062	18577	11587	0	6833	12053	7163	6866	1676	7170	0	15816	11267	15177	5311	6359	13397	9070	6709	13828	3190	2859	0	7628	10179	5515	12162	15589	20432	7453	7926	1537	8957	15696	0	10901	4012	Lipid	0.27586207	1.5517242	0.03448276
26	C29 H45 O8 N1	536.3218	536.3226	0.07061591	536.32184	57584	53987	58730	57721	95099	36412	38965	78138	73843	53812	50643	29540	65638	39708	58975	57657	46217	63477	98730	93910	64484	35279	45710	62465	56714	104056	36258	64761	74729	70474	47473	61670	71019	53779	59120	75910	78121	43133	42450	62023	45499	56281	0	0	0	60169	36105	0	60093	56665	59462	53192	71749	0	120820	80881	39572	62357	49440	29911	71959	30099	65660	78904	23192	55082	54093	45596	92592	109357	91568	49674	44836	76740	36409	53059	0	44518	67455	37994	43193	34217	50022	46897	105549	67968	69455	30630	45427	45698	61113	76011	70994	35332	41657	0	54440	67248	53014	85902	98494	97235	32264	73022	37752	51831	89493	0	39406	58146	Lipid	0.27586207	1.5517242	0.03448276
22	C29 H45 O8 N1	536.3218	536.3225	0.05760505	536.32184	44258	34453	32126	36727	53523	29857	27018	40583	38491	20437	27445	29768	33653	24803	34981	52548	53429	34543	60154	39183	26486	14507	34984	42897	36336	53724	32795	26531	42514	42569	34364	40822	44400	26647	17245	53775	49105	33172	48550	24622	21587	29698	0	0	0	23928	26540	0	41081	46680	37196	34208	35988	0	47077	36826	26998	50915	21301	27856	51747	14191	39825	38220	22432	35309	29229	56200	43253	47448	44823	26360	28010	43430	37808	36164	0	30304	44968	20550	34481	17586	27279	15498	59043	34827	49137	25404	27941	50168	39595	36939	40969	18282	21401	0	32308	39105	28815	35531	52969	63439	26676	49216	13564	32015	49960	0	32333	29808	Lipid	0.27586207	1.5517242	0.03448276
10	C30 H46 O2 N3 S1 Na1	536.3281	536.32886	-0.630644	536.32776	0	0	0	0	0	0	0	0	0	5861	11944	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1099	2738	0	0	0	0	0	0	1299	0	0	0	0	2359	1191	0	0	0	0	0	5864	0	0	0	0	0	0	0	0	0	0	0	40587	1477	0	4361	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5013	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1367	0	0	0	0	0	0	3307	145839	0	0	0	0	0	Organosulfur	0.06666667	1.5333333	0.1
12	C30 H46 O2 N3 S1 Na1	536.3281	536.329	-0.6261144	536.32776	1855	2299	0	0	0	0	5035	0	0	2658	12883	0	0	0	0	0	0	0	0	3522	0	5868	0	0	0	0	0	46514	0	0	0	0	0	0	0	0	0	0	0	2563	3790	0	0	0	439	4381	13662	0	0	0	0	2156	0	590	0	0	0	0	10288	0	0	10783	0	0	0	0	0	0	25264	14594	40437	0	0	0	0	0	285	0	0	40889	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2202	0	0	0	0	4888	31352	0	0	0	0	0	Organosulfur	0.06666667	1.5333333	0.1
28	C30 H49 O7 N1	536.35815	536.3588	-0.055485252	536.35815	5063	2013	4098	3318	8705	2804	7472	6155	7376	1224	2368	1977	3435	4604	3114	4455	7192	4204	9918	3863	0	2618	3891	3787	7064	4855	4934	4520	7570	6586	4358	5257	6163	4779	905	9721	5886	3311	6625	3521	2370	3435	0	0	0	0	0	0	4515	3577	1940	3484	5757	0	9933	8265	3144	4233	5926	2171	5167	2302	2915	7512	3446	3385	5405	2756	4160	3540	2862	2225	3990	8412	2554	4981	0	2815	8525	5433	2116	2485	4643	4844	16754	9368	12313	1433	4012	3295	3446	4923	3310	3326	0	0	2880	3862	5426	16567	20762	10432	3729	8333	4421	5307	14597	0	3543	2342	Lipid	0.23333333	1.6333333	0.03333333
18	C30 H49 O7 N1	536.35815	536.3588	0.19884925	536.3583	22011	19119	21687	18669	0	0	13766	174755	0	0	4520	26927	0	0	33507	180407	0	0	0	0	0	0	0	0	10535	0	21194	4367	160799	230001	181363	68293	24360	36574	0	95323	26573	30583	0	0	0	0	0	0	0	0	0	0	146146	208403	22942	19505	0	0	0	0	0	100853	0	0	180613	0	0	0	1399	0	0	0	0	2002	0	171304	91485	190568	30076	109564	0	60241	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23697	24434	0	0	0	25871	41938	0	0	1501	0	0	1494	0	Lipid	0.23333333	1.6333333	0.03333333
24	C30 H49 O7 N1	536.35815	536.3589	0.032338005	536.3582	7423	7560	9224	8751	14598	3060	9370	8366	7684	1877	2331	5419	7861	9507	6155	13527	19181	6097	12400	1873	4066	4982	6159	5234	10247	2670	6786	4641	12722	10476	7782	10828	9958	3753	1741	10533	11157	6412	18001	1310	5041	6332	0	0	0	2373	3808	0	8343	10343	9534	7712	11587	0	10628	11862	7603	10439	5820	7936	14118	2453	4369	9869	4488	5121	7527	18958	3467	1593	4790	4361	8233	9377	8698	11065	0	4376	13685	9694	8618	2442	8394	4575	20283	13962	13656	5340	7132	21763	12147	12332	8897	8628	9948	0	9110	11501	8173	15649	21130	18106	5940	10196	3022	8244	20258	0	5627	4241	Lipid	0.23333333	1.6333333	0.03333333
26	C30 H49 O7 N1	536.35815	536.3589	0.0454982	536.3582	13296	9140	14520	15265	35305	7723	20946	19262	24578	4437	10116	8564	13688	13678	13981	16049	19418	9499	32114	12404	7199	6658	13065	13010	15791	8702	20639	10225	24082	23553	13982	13976	20790	11615	6369	26975	22450	17303	20780	8429	5049	17766	0	0	0	6295	0	0	17768	16951	17073	16209	23392	0	36139	24601	14746	15736	12413	10226	16182	8409	13074	20665	9516	9984	21363	21682	8810	11835	6785	8597	16026	21374	15959	19065	0	13122	19289	15064	9497	4741	18109	13579	44237	25311	23639	9055	16127	14044	20019	18225	12813	6678	6024	0	15306	14945	18846	35541	36341	30609	8174	18374	0	13002	39882	0	19224	12753	Lipid	0.23333333	1.6333333	0.03333333
14	C30 H49 O7 N1	536.35815	536.35895	0.39820915	536.3584	0	0	0	0	0	0	0	0	0	0	0	3690	0	0	1198	20023	2123	0	0	0	0	0	0	0	0	0	0	0	0	2844	3422	15623	0	0	0	0	0	1159	0	0	0	0	0	0	0	0	0	0	1586	5865	0	0	0	0	0	0	0	1997	0	0	0	0	0	0	0	0	0	2733	0	0	0	0	0	0	0	0	0	3617	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3424	0	0	0	0	0	0	0	Lipid	0.23333333	1.6333333	0.03333333
10	C30 H49 O7 N1	536.35815	536.35913	0.17081167	536.3583	1714	1149	1193	1068	0	1206	0	3648	0	0	0	8589	0	0	1307	1731	0	0	0	0	0	0	0	0	0	0	0	0	0	2358	3163	0	22420	0	0	1142	14139	0	0	0	0	9397	0	0	0	0	0	0	1860	5231	0	0	0	0	0	0	0	1479	0	0	0	0	0	0	0	0	5106	0	0	0	0	0	0	1866	0	1014	0	4108	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1015	0	0	0	20067	5944	0	0	0	0	0	0	0	Lipid	0.23333333	1.6333333	0.03333333
26	C28 H57 O8 N1	536.4157	536.41656	-0.12159482	536.41565	0	0	0	0	0	0	0	0	0	0	0	0	4395	0	0	0	0	0	0	0	0	0	0	0	0	0	49666	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11216	0	1859	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13027	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2857143	2.0357144	0.035714287
22	C23 H20 O15	537.0875	537.08844	0.3105614	537.08765	9048	12168	18717	19614	39621	21921	0	4443	50508	14313	0	0	84663	26772	5586	0	0	39009	32973	0	10272	39474	8442	4377	0	5061	0	0	0	0	0	0	0	0	17703	0	0	4332	0	11462	11625	5319	0	0	0	17877	38475	0	0	0	10491	13080	18579	0	43788	39945	8580	0	0	0	3972	8730	79140	30969	15681	44907	9756	0	7902	0	0	0	0	0	0	0	0	0	10068	25116	17892	51939	3735	1478	43995	14934	10134	10653	5037	5724	0	0	6381	38514	31842	0	16335	14289	28545	37515	46332	0	3078	0	40356	0	39090	0	3762	96504	Phytochemical	0.65217394	0.8695652	0.0
14	C23 H20 O15	537.0875	537.0885	0.2774839	537.08765	5673	9016	7649	9851	25504	6853	0	0	30800	6097	6564	5809	52145	6174	1568	3753	0	15963	20678	1836	8258	43506	4702	0	0	0	0	0	0	0	0	0	0	0	10659	0	2213	2769	0	3204	9282	3883	0	0	0	7485	38610	0	1657	0	9361	7426	14446	0	20479	25496	10102	0	0	0	0	1980	50542	26168	10888	32476	6926	0	0	0	1964	0	0	0	2010	0	0	1526	6827	16467	6255	14971	0	0	36267	10822	5358	9938	4311	5406	3546	2556	3553	36975	11646	0	9729	5334	25298	42101	35296	2258	2044	0	21950	1667	23903	0	0	45186	Phytochemical	0.65217394	0.8695652	0.0
16	C23 H20 O15	537.0875	537.0884	0.18629618	537.0876	10327	14549	7455	14151	23811	8845	2046	0	37482	4131	7120	4476	68382	10888	3501	1621	1846	33786	25548	5149	11780	24502	7172	1969	0	0	1597	0	0	0	0	0	0	0	18839	0	2891	5005	1691	3310	11516	4871	389	0	0	11068	36764	0	2447	0	9094	11715	11442	0	27845	28707	12556	0	2990	0	0	5692	74028	31174	9273	38607	7469	0	3039	0	4502	0	0	0	0	1200	0	1871	11139	24580	8672	22604	0	0	38623	11889	11559	7380	9810	0	0	3733	0	43516	19624	0	8750	8066	30783	40979	39381	0	1818	0	26976	0	28222	0	1393	62716	Phytochemical	0.65217394	0.8695652	0.0
12	C23 H20 O15	537.0875	537.0886	0.35953754	537.0877	5660	5118	3630	4162	13215	2496	0	0	15193	3314	3536	2041	23988	3233	1752	0	0	12252	11595	2265	3391	12818	1981	0	0	0	0	0	0	0	0	0	0	0	6749	0	0	2271	0	1686	5097	2422	0	0	0	5279	20918	0	0	0	3622	5167	6871	0	8049	17313	5753	2402	0	0	0	3358	31134	17588	4353	15561	3264	0	0	0	1774	0	0	0	1744	0	0	1409	5959	0	3094	7976	0	0	22111	5457	4195	3844	2525	0	0	0	0	23889	8638	0	4778	3417	20741	26694	21967	0	0	0	0	0	12856	0	0	25639	Phytochemical	0.65217394	0.8695652	0.0
20	C23 H20 O15	537.0875	537.08844	0.39719424	537.0877	17978	15784	15838	10070	30012	17140	0	0	47436	10332	11736	2734	91394	14016	7142	0	0	41080	35326	9026	8628	43366	9656	0	0	0	0	3038	0	0	0	4346	0	0	13470	0	3804	8560	0	9737	9408	7960	1014	0	0	25502	56900	1026	0	0	8624	10584	23256	0	49850	48864	15104	5306	2288	3208	2848	10156	80244	41438	14276	44288	9190	0	6146	3356	8402	0	0	0	0	0	0	0	13442	20280	7860	33692	0	0	55060	15966	5762	7516	9212	0	0	5988	4474	49782	31762	0	19672	13372	26170	48978	39682	0	4758	3856	46264	3428	27844	0	2422	89884	Phytochemical	0.65217394	0.8695652	0.0
18	C23 H20 O15	537.0875	537.0885	0.36878148	537.0877	40059	34062	22806	26211	76023	33648	5781	0	99603	32937	25014	6855	196707	30315	12591	5355	5475	72168	82515	13878	15516	88584	17895	0	0	0	3531	9825	0	0	0	0	7248	0	37395	0	9117	15585	0	13599	24849	19449	1140	0	0	37500	73566	1074	0	4374	38007	38007	40320	0	107070	115050	38997	0	5706	5082	0	17415	185163	89175	29172	120114	29532	0	4806	5205	0	7254	3573	0	0	0	0	5184	38394	47952	25068	59265	0	4833	114354	31446	20217	10794	15474	0	0	11145	0	78285	52053	0	34989	21651	79739	110793	85968	4599	9255	0	67527	8001	62301	0	0	161424	Phytochemical	0.65217394	0.8695652	0.0
22	C22 H20 O14 N2	537.09875	537.09973	0.0509705	537.09875	0	0	1626	2140	2501	1368	0	0	0	0	0	1444	2251	0	0	0	0	0	0	0	0	3417	1199	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1179	0	0	0	1734	7348	0	0	0	0	0	0	0	1530	1314	0	0	1704	0	0	1670	4030	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1630	0	2826	0	0	1408	1542	0	0	0	0	0	0	0	2766	0	0	0	1276	0	2237	0	0	0	0	36871	0	0	0	0	7302	Phytochemical	0.6363636	0.90909094	0.09090909
22	C23 H24 O11 N2 S1	537.1174	537.1186	0.34121597	537.11755	39986	23159	24613	20337	29462	27416	4424	0	40132	44914	20952	7458	57292	14830	11924	0	3746	50604	39685	35788	25624	59782	14545	0	4710	10228	5604	15784	6246	3630	3500	0	10180	3086	56966	0	10593	7844	3800	29915	24066	4538	0	0	0	92769	100934	0	7487	7040	25904	16224	23841	0	57039	39256	12652	9246	15694	5818	11278	29904	72240	39369	10652	43124	15771	5876	22733	19768	15145	7350	2126	3906	2598	2874	644	6354	19730	35280	17218	91512	6676	18467	37544	25612	13820	6112	1297	7453	14162	25790	16025	50071	58113	0	27677	19704	32386	39511	27092	7732	5484	6542	100138	9099	30572	0	5272	82758	Organosulfur	0.47826087	1.0434783	0.08695652
14	C24 H24 O14	537.1239	537.1248	0.23884228	537.124	44575	49776	40983	41546	57768	33972	14093	18667	74941	86115	45064	14401	99014	19495	24170	18294	11153	67157	62753	46505	55214	122955	31505	18862	8121	9723	11463	21009	7640	10373	12480	12614	24162	13577	120551	11191	20332	19616	11288	39279	39659	17749	0	0	0	98170	176210	0	15802	12765	50594	33093	34284	0	69387	52110	22762	20613	17611	10841	0	33441	107911	64233	21709	70740	26572	12173	17033	17550	19227	16854	13745	8054	13188	10934	0	15926	37929	81520	26285	86882	9098	15750	60072	31870	26200	23238	23112	21442	12909	17383	19484	111104	95434	0	43780	35163	52356	59552	53416	18901	15884	15496	140527	18055	42345	0	13329	91626	Phytochemical	0.5833333	1.0	0.0
12	C24 H24 O14	537.1239	537.1249	0.29851508	537.124	31493	24054	25895	28555	29133	14866	7854	7773	39600	47490	42181	10346	41987	12329	10783	14155	8542	37363	43446	31279	36063	70198	18242	14290	4894	4163	6800	0	6433	7377	7957	6430	10269	5620	71523	6007	11256	14659	12842	19122	39836	10668	0	0	0	47343	121875	0	9400	7192	25680	27790	17795	0	37062	27579	15420	16974	9966	13315	0	18615	64558	27593	15469	38532	15027	11436	0	9900	16581	8757	7543	5502	12135	5480	0	9993	24367	26887	21216	49967	5726	7544	45401	17707	24446	13454	12389	10975	0	12775	13601	65753	56249	0	21293	31295	42996	39525	37942	10433	10880	8317	72357	10597	24815	0	8508	50796	Phytochemical	0.5833333	1.0	0.0
20	C24 H24 O14	537.1239	537.12476	0.263568	537.124	25590	24361	24767	22560	37304	28207	5295	7134	55522	41097	10925	5882	86598	16556	13835	5101	1615	43430	36371	34033	39783	58920	15168	7465	9261	7512	4113	10308	4547	3475	7695	5884	7667	7572	41241	6658	13645	13460	3644	33925	22645	8134	1249	0	0	76820	92737	0	7177	4445	23729	22546	25862	0	48955	37294	16202	7742	13513	4663	7221	27128	71484	41155	12269	37516	12297	3313	8250	12932	9186	8513	4687	5039	2856	5756	477	8255	22574	32727	18146	71490	6573	13546	33450	18874	14901	7477	8035	4458	9968	13619	16085	60670	40562	0	26566	19317	31942	34144	32466	8183	7432	8393	85644	6702	27299	0	5179	73235	Phytochemical	0.5833333	1.0	0.0
10	C23 H24 O13 N2	537.13513	537.1361	0.25255007	537.13525	9259	11369	12656	11809	8878	6007	3817	7028	11728	16089	7549	4701	18268	1979	4692	7748	6137	10326	11025	10351	18061	21898	9424	5130	1128	0	2427	4444	5707	3206	4295	4487	8440	4356	19299	3398	5017	4863	7859	10248	26684	4501	0	0	0	15059	53485	0	5981	4027	10498	12171	5641	0	16668	10108	4806	5152	4539	6493	0	13642	24444	15472	4276	16981	6628	8169	0	1585	6980	4931	5331	3265	5190	3122	0	3749	4914	12060	4506	18497	2638	3946	11267	3619	6179	5430	4702	10038	0	4936	12903	20684	21279	0	7798	9665	7395	14666	12770	6809	4066	5446	28740	6657	9926	0	3369	20869	Phytochemical	0.5652174	1.0434783	0.08695652
14	C23 H24 O13 N2	537.13513	537.13605	0.22772059	537.13525	15039	21227	14607	17545	15575	11452	3756	6143	23578	26932	13772	10701	31020	4225	8927	7942	9822	21977	20786	16948	29023	49624	12357	7736	3510	3308	5738	0	7689	5787	7239	0	14560	8288	28228	5484	13848	7732	8480	18464	27838	6633	0	0	0	47440	85160	0	7810	3447	17095	17992	11427	0	24749	16947	6925	7813	11639	11852	0	20556	32980	22778	5456	17144	7564	9499	0	7090	7912	10179	6258	6471	6692	8181	0	6735	13849	29448	9794	43297	3328	8802	19060	12721	8168	9848	8716	21026	5032	11446	23120	48296	31629	0	19980	21140	14575	17023	13793	15613	6077	12550	47945	7304	11255	0	6735	32698	Phytochemical	0.5652174	1.0434783	0.08695652
12	C23 H24 O13 N2	537.13513	537.13605	0.23394097	537.13525	13571	16275	14495	16071	10473	7656	3513	8221	22552	16750	12156	9920	28173	4530	5560	8177	9920	19208	15948	15586	26033	47064	11644	7095	3925	0	3591	0	8751	5454	9532	6603	9932	4636	31977	7090	10474	9411	13093	22728	44656	6949	0	0	0	38048	85494	0	6625	7630	12107	13653	10051	0	22637	14199	7306	7095	8570	0	0	17752	34268	21899	5443	19662	8591	11778	0	3273	6651	8116	4365	6802	5277	6176	0	7459	9705	21547	8603	32779	3482	6838	18270	8564	12474	8409	9636	17488	3177	9214	12917	35893	21851	0	11225	16164	9861	16497	16365	12632	7903	6828	48624	10472	10480	0	5123	33899	Phytochemical	0.5652174	1.0434783	0.08695652
8	C23 H24 O13 N2	537.13513	537.13617	0.30891404	537.13525	3984	4088	3372	5427	5699	1083	916	2287	4278	4526	5312	2673	10408	1685	1883	2555	2568	3551	4660	3406	7351	15068	3391	2079	0	0	1184	0	774	1566	1937	2688	2717	1280	6966	971	3924	2374	4515	3646	13633	2312	0	0	0	6352	21911	0	2676	2177	5019	4991	2686	0	7458	5766	1842	2434	0	3126	0	4328	14645	10700	1628	6762	3151	3338	0	1426	0	0	1793	974	2189	1742	0	1797	3077	5119	2528	5704	1432	1028	8530	0	2006	3035	3021	4800	0	0	3511	9233	6146	0	4857	2754	5597	10730	7197	2931	2225	2246	0	2783	4190	0	1220	11585	Phytochemical	0.5652174	1.0434783	0.08695652
22	C25 H28 O13	537.1603	537.16113	0.2984627	537.1604	28300	33604	29523	29391	35866	24993	9289	21314	41578	77955	23267	10455	52904	17091	15425	16813	7319	51678	36738	54879	58742	49150	16634	20969	14949	20967	7837	12869	16194	12641	12408	11778	15991	12194	88502	17999	22233	13840	7589	37594	31661	11518	0	0	0	95191	66661	0	13611	14340	27135	26908	28979	247	52851	26669	17684	15312	17704	10641	11797	26366	45620	34186	13325	37611	16382	7913	16652	43778	27260	19641	13467	12875	5239	11395	0	12739	24388	21826	21033	74780	15709	23134	38729	21076	19103	8048	16319	9466	15821	22588	22775	33469	42770	0	28349	24865	34993	25478	20791	12830	12262	18171	71963	17697	27051	0	10233	61783	Phytochemical	0.52	1.12	0.0
20	C24 H28 O12 N2	537.1715	537.17236	0.25415564	537.17163	6202	8331	10813	8010	5108	4647	6733	8315	7570	19532	5390	2974	8685	2466	10338	7499	3432	11003	9153	13897	11629	16689	7244	10670	6340	1272	3831	5127	8863	6156	8212	5789	9794	8070	11762	8160	6432	5684	5355	13990	8547	5246	0	0	0	22619	12688	0	7565	7006	11326	8518	4596	0	12522	5230	4104	7286	11045	1132	9774	10338	9516	10971	3651	6966	6662	6560	3888	7606	2777	8215	6228	5888	3235	5096	0	6885	9228	9088	7119	9624	7665	0	6650	5150	8543	5101	7438	5937	6853	8868	15679	10614	10109	0	9873	9474	2785	3676	5907	8522	4545	6471	20813	7381	5779	0	5497	12767	Phytochemical	0.5	1.1666666	0.083333336
18	C24 H28 O12 N2	537.1715	537.1723	0.18637876	537.17163	27779	23306	19135	23447	15576	12587	12096	30556	20500	30941	11690	7581	33597	7998	18884	16998	8692	25603	30662	33792	25125	50468	19751	20121	18823	4357	10950	9319	23095	12638	19732	21788	21478	18753	39225	21830	28684	13962	6666	38931	14330	8749	0	0	0	44021	27955	0	22505	17343	17769	21762	12820	0	26348	12966	10953	20172	22042	9440	16330	25638	28178	22814	8850	22671	15799	11567	5748	9437	5263	21664	14788	16520	12034	15382	0	13597	18986	15794	16504	30939	15796	18444	13320	11283	16932	11916	16828	13489	22015	35631	40206	20556	36398	0	18113	18628	13142	11540	9978	16237	11773	19169	24842	18625	10209	0	15424	35675	Phytochemical	0.5	1.1666666	0.083333336
10	C24 H28 O12 N2	537.1715	537.1724	0.18475956	537.1716	36817	25575	28401	29739	16273	12032	12738	26700	20432	42653	22056	18285	30329	6489	18038	23570	24846	20627	25510	41358	51210	57157	19682	30030	10764	7502	14778	7846	21433	20889	20192	27693	30095	22695	60759	22960	27563	17473	24072	43377	46118	15461	0	0	0	46788	59421	0	27827	23835	27674	27033	18261	0	26746	14747	11995	30821	23640	24691	28517	27168	35732	25574	9695	17067	18131	24914	8033	11699	17085	23805	23131	20464	13992	26698	0	17864	25909	17938	20851	31605	16502	19244	15207	12217	22321	15127	13631	33892	20657	26029	41644	37176	45686	0	28555	28265	19373	19692	15124	30724	15325	33001	40431	31438	12863	0	17645	27826	Phytochemical	0.5	1.1666666	0.083333336
8	C24 H28 O12 N2	537.1715	537.17255	0.26539725	537.17163	17365	12023	12708	14269	8328	4525	5538	13380	11903	23339	10252	8936	18879	3639	8015	13848	12212	11707	13896	20894	29468	32931	10832	14904	3359	1848	6078	6028	8779	10233	8684	10752	12272	7267	34741	8069	11035	7513	13540	20853	24402	5106	0	0	0	22143	35432	0	10730	9701	12402	12458	6710	0	17544	9887	5616	14634	8105	12916	15528	15415	23907	15518	4221	10718	6826	16877	0	6835	6892	10044	9799	9155	7771	10559	0	6619	13134	17830	8469	12098	6252	7604	9781	4286	12511	9061	7397	21991	0	13540	19782	17737	22181	0	15396	17474	7989	14961	15315	9255	6187	12810	10098	9408	9233	0	7671	20683	Phytochemical	0.5	1.1666666	0.083333336
16	C24 H28 O12 N2	537.1715	537.17236	0.1679878	537.1716	38643	41462	38284	39273	23439	22747	19356	39471	30526	53847	27601	18241	49745	9608	35133	30800	19696	51423	43913	56991	50030	81134	35020	42713	33570	5774	20390	17523	32292	31396	39061	40035	45002	32800	86814	33558	49044	30738	21579	71601	36073	16798	547	0	0	70518	57704	0	44704	37928	38435	39378	27138	0	56048	22821	14962	36606	45464	19360	33431	50374	41651	31471	14859	33654	25785	14987	9310	26544	9522	35202	35382	34103	23587	30502	0	31501	32895	40352	26005	48917	26497	30591	19420	20779	34403	16940	21666	35254	49698	49492	58910	48499	64331	0	45033	36475	22697	19826	23711	39842	29821	49122	62298	40932	19913	0	29883	55410	Phytochemical	0.5	1.1666666	0.083333336
20	C29 H28 O10	537.17554	537.1763	0.10430835	537.1756	26275	30195	27748	25186	32683	13744	7390	6566	37401	88091	72762	5637	23833	22110	14083	17048	7658	25838	37056	72297	61519	25805	16613	10079	10159	121241	8272	61751	9104	5702	5116	7425	10130	5709	103602	5342	8206	8501	5066	44235	46035	9316	1072	0	0	30306	34481	0	8611	7048	28804	32529	18308	0	32988	29027	12351	11673	8816	7328	8345	31601	40302	26276	14965	28199	18312	6167	97714	142311	144491	7047	5671	5084	8372	4556	0	5616	22693	27910	20135	22768	8361	44762	37748	18831	21089	11779	11114	13871	16329	19202	16291	32709	39296	0	29194	24096	33998	34704	29843	9403	7135	8063	18162	9755	27411	0	9523	34970	Phytochemical	0.3448276	0.9655172	0.0
18	C29 H28 O10	537.17554	537.17633	0.09874012	537.1756	12679	14163	14379	14224	16417	5805	6025	6125	18405	47448	37938	4848	20243	11416	5859	9307	5253	9717	17635	29863	33153	10447	9618	7880	6484	62053	7122	22511	0	10526	4883	13076	4996	0	49152	0	7235	5575	4262	22632	22169	6928	0	0	0	9357	20871	0	4730	5425	12296	13486	8114	0	12328	13400	7161	6239	5291	6797	6266	15292	18237	8496	5396	13176	8012	7775	46183	71247	73819	4428	2851	2793	4654	0	0	5201	13367	10863	9261	14532	7089	20119	24497	9369	15472	5715	9913	8404	10626	12099	13739	15060	18996	0	14176	14041	22533	17353	16605	6715	4944	11020	7418	6835	11738	0	4075	18526	Phytochemical	0.3448276	0.9655172	0.0
22	C29 H28 O10	537.17554	537.1763	0.09978443	537.1756	30576	33168	29695	22340	42417	18081	8626	8021	42689	102264	80445	6589	32427	28089	9276	12752	5939	34120	41139	67776	75615	35223	14422	14348	8993	124352	8160	64464	6859	5302	7722	6549	13311	6331	131775	8645	11156	6664	6446	45687	48248	12216	0	0	0	33924	31684	0	8510	7479	28791	28813	22612	0	40204	28508	16567	13438	8775	6202	9194	36489	50445	21714	13552	37923	17354	11983	106825	156388	160968	7889	5627	2408	3461	5418	0	6793	27747	31613	21404	34736	7640	42807	45893	16931	19859	14170	14279	7091	12944	20294	14573	42212	37306	0	25577	25355	38676	42691	38740	10022	5751	12070	26647	9320	37867	0	8761	42480	Phytochemical	0.3448276	0.9655172	0.0
26	C29 H28 O10	537.17554	537.1762	0.068749264	537.17554	10860	7626	8721	9854	12932	7303	1958	0	17864	31275	20600	0	18909	6260	6583	0	0	15867	15485	26642	25924	13592	0	0	0	39349	2240	15969	0	0	0	0	3235	0	34778	0	2936	0	2927	13597	15198	0	0	0	0	11895	13520	0	0	0	8747	11731	9432	0	12873	15043	6345	2831	0	0	0	10807	24493	11141	5624	16913	5411	2536	42408	50597	69378	0	0	0	0	0	0	0	12326	9673	9077	9018	0	13121	17794	0	8874	3316	4097	3311	3846	5038	0	14511	17068	0	10125	9723	13615	19711	14616	0	0	6289	10466	1776	12119	0	0	18991	Phytochemical	0.3448276	0.9655172	0.0
16	C29 H28 O10	537.17554	537.17645	0.10215364	537.1756	5980	4749	0	5592	5319	0	0	3588	8581	8380	9830	2406	3758	3685	2976	3775	0	0	5564	11591	9162	0	3244	4323	2506	29245	3481	6772	5720	2924	2412	0	2661	3519	25923	0	0	0	3106	6019	10516	2437	0	0	0	0	5625	0	0	3625	4335	0	3103	0	0	4800	0	0	5392	0	0	4341	6068	3810	2625	4913	1392	0	16616	20799	25423	0	3402	2851	3956	0	0	2408	4837	0	3353	4211	0	6985	7889	0	4971	2000	3446	0	0	4192	0	4275	9468	0	5216	3893	5472	7383	5579	0	2858	0	0	0	4517	0	4470	5114	Phytochemical	0.3448276	0.9655172	0.0
28	C29 H28 O10	537.17554	537.1763	0.14016789	537.1756	4451	3305	3387	4534	6796	2762	1599	0	6120	14526	7078	1005	8737	2969	0	0	0	4334	6232	6652	7792	5364	0	3872	0	17858	0	6321	0	0	0	0	2003	0	16455	0	1271	1632	0	5652	7036	0	0	0	0	3380	6022	0	0	0	2595	3140	4365	0	5818	7180	2346	1242	1336	0	2909	3505	9400	6023	3015	7013	3477	0	20593	22231	33149	0	0	0	0	0	0	0	3708	6464	2406	2324	0	3079	10605	3184	3477	2247	1744	2156	1722	2610	0	8311	7324	0	3706	4231	4399	11124	9512	0	0	0	3436	1286	6576	0	1428	7775	Phytochemical	0.3448276	0.9655172	0.0
24	C29 H28 O10	537.17554	537.1762	0.09413673	537.1756	20639	18949	19675	17943	25361	9916	2902	3747	34026	68704	47293	3878	31376	14604	7573	7427	2835	25214	31922	48476	54015	22577	10628	5817	4820	87170	3801	35347	3568	0	1937	1996	5353	4146	89151	2289	5629	7678	5703	30635	34129	7163	0	0	0	25659	25045	0	4250	3739	19546	13850	14707	0	23586	22096	9519	6693	4299	3785	5770	26602	44000	20332	8920	30951	12175	5723	77280	85744	108552	3886	2589	2733	0	2953	0	4469	20011	19024	14131	23123	5422	28243	33362	20144	14592	8319	7837	5998	8128	8914	8046	29010	33045	0	19425	17237	23110	28763	30530	3607	5359	8340	16301	4408	23431	0	7477	31257	Phytochemical	0.3448276	0.9655172	0.0
22	C26 H32 O10 S1	537.1789	537.1797	0.5138893	537.1792	10187	26478	10921	26672	7787	19146	3452	6075	20036	83658	17016	0	10593	0	7380	18186	10118	13481	11033	68398	67666	51500	4806	7681	10938	15049	9936	29968	6840	8304	5845	4565	5233	5216	47149	3577	6909	3743	5120	31603	13784	13434	0	0	0	30773	18393	0	4322	3812	24682	15292	13634	0	34066	8612	0	4797	20984	13858	8523	38954	11738	6448	3497	9790	7990	0	8136	59434	17405	6189	3056	3464	2794	6208	0	4773	6777	8047	3248	33240	18272	30564	11379	8430	16420	4871	13886	14398	23424	54678	16569	33008	32201	0	11186	23768	7964	4943	7551	5322	5381	14398	31360	14712	9131	0	9920	19088	Organosulfur	0.3846154	1.2307693	0.0
24	C26 H32 O10 S1	537.1789	537.1797	0.40160134	537.17914	17020	17322	9236	4932	6144	16394	2117	2449	7568	20387	7166	0	19504	2960	3484	4014	2688	6367	20384	15616	50484	21932	3944	4808	5371	7550	0	15896	3134	0	4047	2755	2800	3731	48004	3212	3179	6316	8044	29044	13048	2606	0	0	0	21688	27096	0	0	0	9471	6906	4162	0	10778	4008	0	7210	5691	2806	11022	8790	6627	3231	2628	4084	3829	2768	0	11678	26828	2936	3016	2752	0	2069	0	2741	3320	16838	2891	6252	9038	10914	5478	0	2041	3022	2925	3469	16554	28352	18824	19382	16469	0	5571	7114	9234	0	0	4480	5472	4923	10543	2376	5133	0	2891	11417	Organosulfur	0.3846154	1.2307693	0.0
20	C26 H32 O12	537.19666	537.19745	0.14746258	537.1967	190497	180769	182788	153932	147086	136724	83855	163499	200303	465063	144741	75886	244113	79350	153417	120413	55143	207601	220612	391795	299193	238993	142289	180886	150349	167906	74692	116644	157936	130161	146232	149431	162208	151942	537279	141743	181999	112634	69813	269794	121194	87442	3768	868	294	322692	181833	0	149129	129825	177921	181423	123994	811	243040	124879	70321	149592	167059	53505	135851	163402	220259	185418	68400	170755	123161	75468	126094	307950	178078	168370	153835	152217	79354	138373	344	122949	144772	92043	125086	167907	98205	194490	130541	92265	119324	72210	112320	69930	161464	191975	204157	114642	182358	886	176987	168550	133176	112852	91482	141082	104315	171970	200574	124121	108933	1051	91811	258836	Phytochemical	0.46153846	1.2307693	0.0
12	C26 H32 O12	537.19666	537.19763	0.2458186	537.1968	33550	29900	33635	33032	10013	9273	24970	35919	15191	39174	34537	22809	17128	6309	21240	35639	30017	15888	22101	78680	74436	45570	27195	38426	20114	22057	20653	30819	24901	27914	28367	26887	30883	24114	57847	21510	24980	30329	36013	36554	48536	10291	0	0	0	69742	44980	0	28812	36263	31666	32742	13052	0	22850	14051	13145	28951	37905	25048	43987	30229	23016	16735	8393	17414	15144	31565	28228	31638	40816	24291	26924	32276	26148	29553	0	20534	36935	0	24922	53572	24738	25121	16823	10637	28542	10208	14587	35128	22208	31261	29933	26632	26163	0	40135	36714	20684	14090	13082	29981	18312	39297	20794	23897	12758	0	27222	20463	Phytochemical	0.46153846	1.2307693	0.0
26	C26 H32 O12	537.19666	537.19745	0.33682507	537.19684	9198	9256	12264	8784	8932	7174	1903	9006	13362	31848	8061	4206	18830	3945	9406	6924	0	15696	8631	26483	28053	13012	10401	7810	6959	0	1729	5420	0	0	5661	6202	8300	5772	28432	0	9626	5852	3422	12179	8325	0	0	0	0	21288	12318	0	4399	7020	9173	9268	5714	0	20477	9754	0	7637	7776	0	6255	8222	12847	8746	3535	9454	4957	4833	0	19871	14751	6287	5893	0	0	5787	0	6584	9720	4923	8205	9536	5675	5762	13021	0	9819	3159	3791	2581	9920	10167	7065	7603	15154	0	9947	8732	4644	7464	0	0	3233	8914	9272	4074	0	0	3103	20610	Phytochemical	0.46153846	1.2307693	0.0
14	C25 H32 O11 N2	537.2079	537.20874	0.1443156	537.20795	50138	44135	39474	45809	18385	22529	33277	52305	26741	73137	28447	28641	26844	10303	43033	42521	24768	31876	37253	75403	47568	86414	44620	55063	46756	10069	29762	26902	49123	40526	44140	55944	57240	45398	90715	45848	56583	39577	29631	67115	31162	23020	0	0	0	56152	34575	0	46591	44801	39086	46573	22951	0	45976	17334	17644	56302	87360	19579	64236	42171	20797	30813	14127	28408	25503	26952	0	17800	13417	47000	40038	45934	23552	38918	0	33530	33888	28722	25292	34266	43191	31903	13284	18631	34441	22913	29078	50730	49424	67070	74332	33639	49856	0	53646	49531	16206	18316	15077	57504	30991	65599	16311	42557	14002	0	35085	30499	Phytochemical	0.44	1.28	0.08
16	C25 H32 O11 N2	537.2079	537.2088	0.13938308	537.20795	48106	45997	38882	48339	15516	22390	30149	62764	28179	69087	27958	20662	36012	9279	50831	34947	22631	35124	47899	66505	52416	71618	42526	60032	52375	6993	26422	22895	58641	47495	48135	57180	67533	37676	97659	44612	63331	38161	26173	59567	20981	25690	396	0	0	51380	26159	0	51775	43874	47922	39593	21001	0	46556	16073	17021	56404	67853	16253	47109	33932	38323	29611	11699	31175	27967	22130	9601	28052	13436	48409	43077	48046	21423	42363	0	35654	29263	25202	21247	31153	41278	29865	19637	19097	27896	24610	29712	58172	65025	80298	86840	26190	40908	0	50203	42554	12702	15741	17204	52293	28722	59775	32045	53333	16078	0	29217	37893	Phytochemical	0.44	1.28	0.08
8	C25 H32 O11 N2	537.2079	537.2089	0.2714623	537.208	13796	14074	10512	17904	7466	5287	9451	16403	7234	24859	7338	7313	10144	2970	9975	15210	9551	7813	9228	19545	13886	25866	8592	14893	6000	2082	6549	3682	10703	10620	12382	12405	11882	10686	31310	9587	13934	9097	10824	19473	13872	5024	0	0	0	15895	13546	0	12388	9980	11513	13183	7018	0	11232	5768	3547	15028	8595	7214	9401	11273	10980	9586	2920	10467	6524	11120	0	6159	6320	14379	11227	10155	8012	9997	0	7975	11082	5878	8098	7941	6649	11118	6378	0	12824	4693	7656	17548	12694	16436	20127	12513	22457	0	11323	13526	5124	7065	6046	12402	5911	21268	0	15074	3861	0	8119	13195	Phytochemical	0.44	1.28	0.08
12	C25 H32 O11 N2	537.2079	537.2088	0.14962822	537.20795	31468	30416	28738	34198	14629	14711	25962	48658	17169	51326	16011	17836	19007	6749	32070	29706	28429	20866	29363	49775	40100	60035	30873	40803	27988	8789	15252	18724	40104	29420	31461	27787	43435	29779	77232	29597	35136	27279	30273	54690	28490	16639	0	0	0	44344	25672	0	29883	30789	29854	34153	17191	0	30117	12167	11758	38570	44009	18830	27310	36465	22059	19253	10730	25212	16844	23620	0	16190	12177	30251	28516	30132	17774	28425	0	22668	27414	31109	19536	24651	26990	26720	11330	11799	27638	11717	16019	42068	26184	57930	61891	34524	32280	0	31806	34951	11416	11729	14194	39794	20112	36440	32881	38111	11859	0	26143	29277	Phytochemical	0.44	1.28	0.08
22	C30 H32 O9	537.2119	537.21265	0.10597683	537.212	53853	45670	43730	48440	53826	27579	16884	25121	54161	127498	105651	18795	57912	43673	26643	28525	18905	43763	56937	114384	111354	49292	32982	30577	31927	220052	18567	91840	22314	24044	23660	29573	29295	24733	133091	23211	28371	30351	25827	85448	81382	21648	0	0	0	52368	48574	0	29121	27393	52955	48668	40228	0	50262	55858	24910	31098	20995	21413	33227	61157	61417	44590	23838	51234	35825	18539	172175	231977	253475	22220	20341	18468	15888	22172	0	18141	53362	39183	44237	33152	24850	74419	65419	36866	51781	28013	28220	34896	31609	39065	43475	45887	65559	0	51977	46890	50519	59254	48575	29008	21566	30086	34035	26754	52660	0	27308	63525	Phytochemical	0.3	1.0666667	0.0
28	C30 H32 O9	537.2119	537.2126	0.13584253	537.212	6039	6300	5808	5723	7874	1909	1690	0	7245	12514	9562	0	9572	5963	2898	3074	0	6342	6250	7783	10066	3692	0	0	0	29423	1806	12512	0	0	2328	1447	3302	2877	14926	0	2151	1857	0	8489	10969	2954	0	0	0	5699	6374	0	2902	0	5771	5800	5144	0	6231	10091	2494	3206	1660	2122	0	5468	7140	4776	2598	11074	3717	1959	30745	27006	43249	2067	0	0	0	0	0	1800	7262	6564	4343	2289	1970	7274	12806	3330	7456	2995	3003	3446	0	3835	3133	6791	6530	0	6730	4811	5898	11763	11594	4205	1843	0	3225	3266	6513	0	2565	7495	Phytochemical	0.3	1.0666667	0.0
24	C30 H32 O9	537.2119	537.21265	0.108171314	537.212	42781	40682	39873	34127	39802	27371	10825	17925	50244	94256	87124	12890	57176	30714	15159	22291	16030	43045	55323	90923	91478	39161	25687	28498	21229	173235	10968	86175	18795	11213	13694	13298	20159	14912	113877	16793	22571	14291	15688	73277	60868	19590	0	0	0	46106	46141	0	21581	12969	38815	39754	33558	0	49061	46419	20927	26912	15550	16281	23363	50547	50668	37278	22244	47414	29443	15623	152350	178044	203818	17841	13468	8994	8659	16477	0	14370	40969	31736	29758	30229	18441	58695	58972	30644	36804	18969	22163	22269	29281	27726	36930	38791	42196	0	39747	41474	39102	51502	53700	19121	12253	27507	29526	20176	43104	0	19801	45200	Phytochemical	0.3	1.0666667	0.0
26	C30 H32 O9	537.2119	537.21265	0.1047694	537.212	17150	16820	17265	16931	20201	11556	5426	6926	29145	33741	43169	0	34505	13377	10182	9946	0	17021	24745	42496	48128	16918	9881	10441	8293	73176	4158	33538	0	0	6594	0	10980	8329	43128	8789	9607	5500	7601	33238	36439	7575	0	0	0	20504	16668	0	9365	7966	20905	21434	15247	0	30058	29968	9920	8875	11266	7011	9570	20202	24149	18700	7805	25438	14837	6157	87338	70610	97787	5301	4433	0	0	5263	0	4883	17740	17631	13015	12342	6371	25678	32952	13247	19667	8574	9800	10237	10384	9465	14615	19697	18016	0	15609	21036	21145	32627	31585	0	5479	0	10921	8077	17277	0	8833	26174	Phytochemical	0.3	1.0666667	0.0
24	C27 H36 O9 S1	537.2153	537.2161	0.38284093	537.2155	18234	19524	23260	18222	11938	11098	3544	7768	11389	31764	11571	3755	24798	3739	5966	9156	9390	18994	17843	30594	44892	25868	7145	8980	9064	15206	5195	13210	7002	0	5173	6040	12699	6124	72074	6353	10563	4643	8432	45294	26612	5776	0	0	0	20327	18952	0	8379	3831	12453	22646	11041	0	24762	8368	4717	11614	26010	18864	8276	32792	9950	6699	3295	6539	12226	4359	7577	24360	14225	5450	6802	10958	8195	4095	0	5925	6224	10505	5464	27186	17794	14169	11611	0	0	6155	11966	7310	59412	50800	30322	30990	45950	0	13165	22130	6053	6555	8575	6594	3616	29638	25984	6169	7131	0	15448	22260	Organosulfur	0.33333334	1.3333334	0.0
8	C24 H32 O10 N4	537.2191	537.2201	0.22407256	537.21924	4853	5283	5960	4127	2011	0	3175	5373	1408	4256	1210	3289	3272	0	4381	5949	4128	1832	3199	3390	2645	5660	4254	7521	4225	663	1942	0	5402	5126	5240	7670	6204	4932	5473	5244	6751	3942	5169	3272	2845	1668	0	0	0	5638	3722	0	9608	3902	5087	4854	2361	0	2721	0	1079	6464	3093	2980	6900	2594	3081	1528	1611	3149	2390	4356	0	0	0	4354	3735	3319	2359	5127	0	3304	3286	3458	2275	1024	3547	0	0	0	4593	2961	3727	12220	41606	23194	8338	2654	4923	0	5688	4904	0	924	0	6623	3803	6125	0	7128	0	0	5122	2773	Peptide	0.41666666	1.3333334	0.16666667
10	C24 H32 O10 N4	537.2191	537.2202	0.35465664	537.2193	4030	5141	3464	4610	1931	2436	3480	5520	1412	7238	2168	3056	2747	0	4414	5542	3381	2476	2376	5054	0	9566	3565	9982	5131	2149	3369	0	4602	4341	6076	7341	9476	3373	3531	6488	6885	3259	3716	7038	1372	2582	0	0	0	3778	0	0	6464	4004	5717	4489	2629	0	2355	0	1553	8971	3986	3544	0	1542	2819	1602	2359	4427	1900	6228	0	0	2320	5179	3700	3487	3474	4702	0	4183	4246	0	2842	1910	4954	0	1555	1227	3667	1958	1937	10155	27426	15390	14611	3154	3277	0	3831	3395	0	0	1573	6772	4826	6393	0	5142	1252	0	4547	2392	Peptide	0.41666666	1.3333334	0.16666667
14	C27 H36 O11	537.23303	537.23395	0.18714428	537.23315	44338	40958	39160	36307	13297	16078	37383	47807	23009	39789	32788	32785	16591	9842	34006	52262	45126	15263	21741	47558	44675	31172	35338	55165	29321	27790	36740	31796	37767	42644	42981	58123	41047	28553	48873	47334	37563	34551	50367	28596	37630	21154	0	0	0	33821	31775	0	47732	39596	44942	32943	17974	0	27207	17383	16219	43089	32718	51291	43112	22111	29410	24465	17662	26668	21073	54047	25080	34210	36588	33107	32573	46564	42460	39203	0	24508	46608	21303	40226	22897	37125	25413	24539	18106	44625	17792	25188	66486	36082	32211	45760	20519	31543	0	41399	48119	18617	28500	17479	51411	32794	49858	21339	35174	21985	0	29314	19817	Lipid	0.4074074	1.3333334	0.0
18	C27 H36 O11	537.23303	537.2338	0.11239579	537.2331	196659	182285	179967	188967	118098	92969	130583	220872	142470	351519	192635	122908	187222	71968	182652	209262	132962	174818	209781	320694	267701	188332	171769	218213	161834	178924	112407	168311	232002	179399	196812	217902	213465	190075	388594	194434	214034	162410	139134	226288	157229	108175	3116	513	0	186477	121620	420	217978	167450	201472	193344	106874	716	213410	122371	99240	206022	177198	90253	196059	138332	191119	164021	78660	146076	112396	157854	137630	255048	216835	164281	155409	202318	152377	177779	0	143154	202080	109919	176250	130380	162245	135412	157763	101775	178573	100641	106825	140876	184167	196704	263399	104859	175652	750	202950	171520	119061	127323	132005	201250	129391	209212	116868	175881	110361	414	150968	164706	Lipid	0.4074074	1.3333334	0.0
22	C27 H36 O11	537.23303	537.2338	0.13091452	537.2331	205566	199726	173436	198044	147272	155821	101616	209901	197522	495951	173006	95178	212000	96237	200098	152215	78465	253383	250352	392016	323876	246771	177031	201832	193998	157353	75667	168730	214839	162622	192237	211803	209259	177955	549931	183796	253415	144689	90627	246437	103698	95472	4011	0	330	235828	100574	0	182835	161798	187632	203835	130735	524	301528	136812	90588	191129	227010	61081	172743	173337	234262	199243	76530	175370	130405	95851	141371	390382	199267	184477	162117	181889	87702	164652	0	151615	167393	70146	152493	121134	124481	134924	157360	119817	141484	81763	127574	100908	214679	252949	248625	114678	193957	0	178754	191849	127788	115158	113387	185896	113962	211290	130274	167457	121459	0	117465	266677	Lipid	0.4074074	1.3333334	0.0
24	C27 H36 O11	537.23303	537.23376	0.13803025	537.2331	62170	62562	60506	69614	52932	58292	33264	65892	73822	164224	54784	26930	111105	33817	61370	54316	23374	101188	96929	134822	111522	77540	59089	67870	57623	53199	21577	46042	53937	52729	58841	56763	64010	52758	186616	58035	88080	44197	27847	82765	31064	25873	0	0	0	87616	35872	0	60044	52343	68302	60837	40327	0	112137	52949	32011	58082	66628	17699	54187	54462	96486	71569	28842	67703	44156	29578	49730	137225	78850	60157	53901	58808	22320	53510	0	52077	52077	26149	51309	40492	34654	39909	52133	39337	48682	28291	42021	30431	65277	76541	91596	32707	59107	0	70992	61189	41788	49792	41289	51673	29444	63617	42161	49747	38241	0	35553	103489	Lipid	0.4074074	1.3333334	0.0
26	C27 H36 O11	537.23303	537.2339	0.21003874	537.23315	15343	20067	18055	16904	19751	14853	5326	17848	20721	45541	11449	7870	34940	11334	12027	16287	7647	21589	31645	34853	35123	19363	15895	17488	11375	16223	3795	12955	19220	11161	17477	17265	15536	11069	51203	11809	20686	14659	7451	22485	12563	0	0	0	0	16262	13192	0	15820	16094	13485	19126	12976	0	28304	17287	7484	19184	15271	4503	17290	11538	25679	21200	4838	17424	8931	6972	17064	45048	31709	15844	12919	13399	8339	10053	0	7744	17026	0	21094	11621	10180	12187	15505	10061	13408	6657	9221	11037	19585	18192	23877	10902	14225	0	17512	17629	10371	12232	14622	14651	6480	11079	11087	9750	18415	0	10634	33949	Lipid	0.4074074	1.3333334	0.0
16	C26 H36 O10 N2	537.24426	537.2452	0.20518547	537.2444	11743	12041	15408	18311	8069	4748	11957	18553	8593	20988	4586	7977	5063	2883	23838	19576	8394	4650	11541	17284	10750	19426	11962	21714	20666	3724	6960	5787	23550	14800	18158	19034	24089	20663	20303	21551	22521	12147	9660	17181	6976	8942	465	0	0	12717	6298	0	23922	16301	14992	15074	6104	0	8634	2357	6198	26306	18672	7810	21583	8884	5808	5376	4199	7563	6466	9417	0	6398	2082	18674	16689	17900	13145	20968	0	13960	8885	8462	10937	5246	17182	8559	1638	4124	17585	9402	11104	0	30985	36475	34235	8848	12770	0	13747	9847	2107	2867	3721	20209	9512	16988	8471	23480	4394	0	17800	8551	Lipid	0.3846154	1.3846154	0.07692308
20	C26 H36 O10 N2	537.24426	537.24506	0.29147854	537.24445	5991	5132	10821	6634	2234	4998	8683	16094	4916	10550	2378	4834	8929	5110	13794	13109	6687	8372	11947	13000	5855	9468	10092	11651	10329	2909	4330	5528	14355	9620	9675	12867	14887	8591	14238	11645	20581	7593	5410	8523	2911	5052	0	0	0	5087	3842	0	12963	6039	10536	6199	5444	0	8149	4161	4514	13274	16221	2647	12014	4920	6122	3990	2418	5590	6941	4653	0	3106	2329	11689	11852	14810	5151	8839	0	8280	6227	4046	6174	7677	12717	0	1743	4243	8203	6399	5312	8731	18621	22693	27132	3600	5923	0	9180	10270	3573	3288	1350	10123	7587	13438	6157	15880	4720	0	9953	9117	Lipid	0.3846154	1.3846154	0.07692308
14	C26 H36 O10 N2	537.24426	537.24524	0.30935454	537.24445	10126	11508	9403	9452	5228	6432	8829	20586	4257	9396	3364	7835	5034	2384	12358	13183	10373	3919	7045	15365	10042	16781	9542	17951	19223	2712	5167	0	12365	12843	10198	12287	21285	9939	17736	16906	12159	11746	12049	15578	0	6286	0	0	0	14326	0	0	13070	12698	10106	14717	6111	0	6554	3008	3554	17204	8501	0	0	8364	3115	4483	4374	6132	5614	9264	0	3383	3737	15410	12220	14948	9824	12587	0	9237	11173	0	10818	5475	10087	4429	3177	0	9468	8499	5141	17271	19079	23569	35836	4305	7396	0	9976	8308	1545	1534	3457	12815	8794	15956	0	13849	1973	0	10782	5439	Lipid	0.3846154	1.3846154	0.07692308
20	C31 H36 O8	537.2483	537.2491	0.097794995	537.24835	28624	35474	29291	24887	20420	14150	21506	28363	23320	22342	29750	22064	20705	17501	23995	38045	35150	15959	27311	35250	46443	28036	20705	35982	24906	82213	22558	29398	23885	26862	25132	26299	26686	20845	38845	25136	29099	22588	31297	31273	45192	16144	463	0	0	19419	26799	0	28934	25391	26771	32641	13806	0	26899	24244	18780	34821	19507	25036	29660	21810	24973	17827	17334	19997	17375	34578	54639	68440	100568	18750	21245	23868	29302	23302	0	19758	48067	25790	30868	19043	23458	38339	28498	16180	46000	14575	17902	41548	23410	22879	39613	21005	22851	0	33940	34120	19809	27051	34794	30476	19592	37873	16490	23773	24071	0	28368	18676	Phytochemical	0.2580645	1.1612903	0.0
24	C31 H36 O8	537.2483	537.249	0.08250471	537.24835	61237	67082	66136	64077	59013	35774	28165	61347	70567	97863	109932	31797	67540	42083	47517	69409	38152	53210	83310	128100	114070	59473	53273	62909	48565	241957	28896	112399	46892	45812	41565	53726	60906	40421	113823	44521	61872	39606	46954	98489	100608	41480	0	0	0	59359	54977	0	49922	48397	61493	65459	48185	0	77915	65811	35509	62439	42088	32132	50313	64608	60951	47692	31887	63404	47108	50973	198161	234422	250573	42179	40896	34693	32031	45893	0	37505	69917	51486	63464	42149	40698	89789	79840	40242	71886	38832	44632	53462	53860	59219	77435	56479	62337	0	60741	65857	50908	62673	68821	64335	34326	65087	33812	52862	56326	0	51516	57081	Phytochemical	0.2580645	1.1612903	0.0
26	C31 H36 O8	537.2483	537.2491	0.078171976	537.24835	35989	35190	32926	34706	37027	17495	12251	36051	42984	42452	61707	16831	44942	27553	28258	27122	19396	28298	48758	68512	63977	36131	29318	38116	31025	139168	12013	63184	27867	37162	22455	20733	27714	20187	64608	27537	34154	24636	20174	61187	48834	18998	0	0	0	34142	29724	0	26201	26841	34328	35127	26583	0	41534	48579	20738	29007	24072	16874	33694	37993	33533	27976	19237	38035	35199	27517	150086	110168	136645	23997	22847	21838	16320	23283	0	19318	44324	25812	31006	32678	25425	48760	54630	23348	45765	22514	20273	25584	28942	28135	39489	31356	34653	0	29059	37047	30365	55115	56855	25667	15055	38653	23395	27530	31260	0	23379	27360	Phytochemical	0.2580645	1.1612903	0.0
28	C31 H36 O8	537.2483	537.24896	0.06257477	537.24835	7995	5821	6966	5184	9328	3449	2148	5964	9114	11114	12958	1940	11135	7183	4155	4959	0	5108	9275	9535	9530	4460	6816	6053	6411	29410	3892	12307	4228	5612	3881	5485	6907	5630	12000	6718	6100	4505	3945	9228	11852	0	0	0	0	5525	6780	0	5094	6969	7459	9106	8488	0	9558	14183	2539	5504	4477	2176	5792	6467	9908	6958	3867	12945	5822	5507	32813	26746	37137	4518	3303	3532	0	2918	0	2979	10005	6423	6275	4014	5774	9922	13184	5164	10447	3999	4196	5336	6136	7682	7104	6932	5451	0	5354	5877	7228	20621	18068	6772	2612	7157	0	5563	7508	0	5523	5431	Phytochemical	0.2580645	1.1612903	0.0
10	C25 H36 O9 N4	537.2555	537.25653	0.35374427	537.2557	14757	24633	13089	21211	4947	13638	3066	0	0	0	0	2868	4986	0	0	8346	0	7443	3228	5619	0	11193	0	6576	9264	0	3174	53649	3429	0	4542	4383	12786	0	4536	6062	10734	0	0	6273	6075	4566	0	0	0	0	0	0	3984	7131	15291	19485	4455	0	0	2490	1773	9669	0	0	0	0	5157	2730	0	3240	2883	5652	0	0	0	8898	0	5859	0	3909	0	0	5868	264018	0	0	0	0	4128	0	4032	0	0	0	1892889	578142	9294	47664	15285	0	23225	21987	0	4281	3942	3663	6321	0	0	8028	2553	0	3414	6255	Peptide	0.36	1.44	0.16
16	C25 H36 O9 N4	537.2555	537.256	0.13218527	537.25555	0	0	3708	2973	0	0	0	0	2270	0	0	0	0	0	0	0	0	0	0	0	0	2864	0	0	1837	0	0	8993	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2179	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7794	0	0	0	0	0	0	0	0	0	0	491098	121417	0	3103	3538	0	3953	4256	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36	1.44	0.16
14	C25 H36 O9 N4	537.2555	537.2564	0.30728754	537.2557	5915	7368	7352	4166	0	0	0	2409	0	3696	2731	0	0	0	1127	3880	0	0	0	0	0	0	0	0	0	0	0	18536	1987	2605	0	0	0	1369	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6084	7920	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1368	1359	0	1426	0	0	0	0	55905	0	0	2267	0	0	0	0	0	0	0	1057218	233051	0	11645	6546	0	3528	2698	0	0	0	0	0	0	0	0	0	0	0	1683	Peptide	0.36	1.44	0.16
8	C25 H36 O9 N4	537.2555	537.25635	0.37753472	537.25574	2650	1869	0	1118	0	1691	1288	1391	778	0	0	1379	0	0	1570	2481	1170	0	0	0	1402	1648	1562	2408	2196	0	1055	3238	2147	1123	2267	0	2165	2834	0	2232	2167	813	2447	2842	0	1186	0	0	0	0	0	0	1922	1655	1408	2366	569	0	0	0	600	2217	0	0	0	0	978	0	0	0	0	1408	0	0	0	1367	1457	2095	1511	1141	0	1106	1359	23866	1114	0	696	0	992	0	1246	0	795	3767	62472	24361	2655	3848	3780	0	2039	0	0	0	0	2579	1122	0	0	1804	0	0	0	1123	Peptide	0.36	1.44	0.16
12	C25 H36 O9 N4	537.2555	537.2563	0.2617763	537.2557	7258	9151	8093	9146	991	2511	0	0	1605	0	0	0	1167	0	2350	0	0	0	1804	0	1379	0	0	0	2036	0	0	36043	0	0	1836	0	3373	1719	0	0	0	1728	0	1592	0	0	0	583	0	0	0	0	1357	0	4836	4884	0	0	0	1562	0	3083	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	896	0	1451	0	53879	0	0	886	1162	0	0	0	0	0	0	862983	347918	0	25828	6211	0	5770	7140	0	1173	1181	0	0	0	0	1367	0	0	0	1229	Peptide	0.36	1.44	0.16
24	C28 H40 O10	537.2694	537.27014	0.10001154	537.2695	107046	106416	105970	110305	106523	79969	64930	116012	122017	211903	95793	50744	152009	56246	109900	92309	46551	148162	179341	225688	158816	116753	98706	115592	113617	83921	51099	95702	124248	97400	118685	119794	146423	90817	298249	108955	179760	79817	52725	131008	49558	56651	2415	0	0	109757	41037	0	116376	91776	103005	104252	78265	0	207740	90770	55161	122037	130566	35647	109867	80119	156207	121254	42542	123192	81520	51063	71197	192903	98760	105677	95072	113032	50304	94629	0	88840	97880	47290	85153	49088	81958	69054	92107	77264	82108	49390	76298	52455	143024	168499	159279	57136	101908	0	110254	109362	68035	81954	80959	120014	56805	131955	65512	100895	76551	0	68206	157220	Lipid	0.35714287	1.4285715	0.0
26	C28 H40 O10	537.2694	537.2702	0.12617905	537.2695	35390	31127	34652	36056	30167	23636	12150	40646	36892	60724	21806	14654	56419	16559	35807	26408	9079	50035	56864	69925	58495	36642	26039	35650	28949	36549	11981	25375	41059	34661	31407	33155	52543	26434	84079	48120	65779	27935	19329	40077	18058	19952	0	0	0	30436	14463	0	38692	33109	36234	36750	24007	0	59700	31406	15671	35267	37721	9006	35729	22708	47070	35332	12261	35008	22852	17325	26739	71072	38770	33786	25196	36828	14392	28691	0	25070	30422	8652	27407	16257	28218	22772	32957	18403	26073	14622	24922	13792	36174	49037	53057	13270	29359	0	32400	33799	21349	34554	33640	49316	16428	43424	14648	24565	27164	0	19158	42868	Lipid	0.35714287	1.4285715	0.0
22	C28 H40 O10	537.2694	537.27014	0.10080096	537.2695	159238	166343	146499	158476	137656	108910	105367	184795	165648	259241	126882	87971	157631	89537	160536	140154	85720	174353	206588	268036	206133	172290	139163	171719	156687	128101	89494	132050	192060	140050	163179	182091	194781	141061	301407	176051	218686	127578	96824	160803	80255	99500	3768	0	0	139319	72100	0	167353	151994	156268	155867	116592	356	261303	134913	92231	166694	167152	62513	171812	107739	194910	155690	78222	145588	112138	91199	109890	263915	148077	144535	133662	172070	98593	144722	0	135784	186272	70309	128778	82642	137886	107468	135942	107966	148705	79784	111035	92629	197375	236435	207682	87954	120818	0	140467	150646	98278	129656	132860	189049	101450	183474	80989	148274	116567	0	121000	205972	Lipid	0.35714287	1.4285715	0.0
18	C28 H40 O10	537.2694	537.2702	0.07249616	537.2695	58916	55591	61510	49594	33374	29657	55605	66139	44265	47067	34148	39288	45856	23731	58355	77565	67342	37495	63574	67776	52866	43187	52274	63915	49782	36309	51992	45103	77822	62171	58866	77986	64669	52911	52601	72650	59350	50528	74671	32782	36023	29340	0	0	0	39025	36038	0	74010	57237	56774	52320	33598	0	60290	43510	33194	76809	49643	39753	64475	27408	61733	48590	31437	47608	36020	72223	36319	51241	49730	41744	47583	71295	70643	64317	0	40367	69716	28332	60280	35414	55096	29247	57888	44295	70088	28677	40276	64357	56530	52874	67963	30011	33401	0	57021	56132	38038	54422	67689	72073	41058	70233	30788	52807	41284	0	54546	45512	Lipid	0.35714287	1.4285715	0.0
16	C28 H40 O10	537.2694	537.27026	0.14164968	537.2695	26760	21876	18042	23514	12197	8583	26659	22709	16793	12054	12537	17735	9688	7838	21592	25746	27530	10631	17692	15530	12480	15202	16790	22283	18744	12388	22720	8900	21690	31055	24890	28478	20913	17818	22759	30597	22794	16393	39596	5259	11624	10376	0	0	0	16951	12513	0	33065	23699	17686	24479	13874	0	22601	16062	10197	28117	14928	17230	25325	4715	19380	14688	10513	9611	12543	31301	5743	13308	13620	12069	20259	31676	36028	24304	0	20981	27610	7046	19937	9433	19577	9405	19760	14545	29167	9274	12033	27426	21778	14565	0	8386	12780	0	24003	16802	11521	20215	21167	28771	16156	29821	6362	20629	19336	0	22429	10185	Lipid	0.35714287	1.4285715	0.0
4	C21 H44 O15	537.27527	537.27747	0.102744505	537.2753	0	0	0	0	0	375	0	0	0	0	3863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9567	421	0	4492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4195	0	0	0	0	0	0	0	442	0	0	0	0	0	0	0	588	0	0	0	0	0	0	73280	0	0	0	0	0	Unclassified	0.71428573	2.0952382	0.0
16	C27 H40 O9 N2	537.28064	537.28156	0.5276334	537.28094	8466	0	0	6729	0	0	6732	5007	0	6072	0	4077	0	0	4881	11160	4500	0	0	5943	0	0	4749	7536	8862	0	5964	5367	0	7296	10479	0	6699	5613	0	7191	5367	7035	12066	0	8355	0	0	0	0	0	0	0	1558	6160	9306	6087	0	0	0	0	0	10308	0	0	0	0	0	0	0	0	0	17796	0	0	4374	5667	3687	0	7806	6243	0	3330	0	0	3813	0	0	0	0	0	6144	3612	3852	0	21324	10935	0	0	6015	0	5427	0	0	0	0	0	5814	6864	0	0	0	0	6108	0	Lipid	0.33333334	1.4814814	0.074074075
22	C32 H40 O7	537.28467	537.2854	0.08704678	537.2847	29268	31841	22418	27113	15608	13718	24835	32909	24071	24338	30554	25246	14139	15962	34968	45175	57118	13996	30565	35542	30963	24750	21947	34408	27945	58990	25424	28977	34426	34368	22294	34150	35101	20107	28545	33676	31738	32062	56902	27750	39464	19420	0	0	0	18823	24924	0	28404	30294	26423	29888	22014	0	27054	22453	21475	35951	26883	35515	33983	17774	16748	18982	18662	16701	20942	58633	39202	46113	60795	19100	18532	26039	41393	31513	0	22419	45081	22899	29684	15726	29396	22644	27972	21036	50537	14776	20793	43753	34365	31127	40619	20670	19392	0	25172	30341	18849	33872	33948	39751	21994	34667	14101	30919	21681	0	38928	13667	Phytochemical	0.21875	1.25	0.0
26	C32 H40 O7	537.28467	537.28546	0.06715841	537.2847	45673	40122	42589	44416	35225	26523	25756	56574	42104	41544	69995	23324	49203	39442	38998	51510	41279	27991	57355	74977	66232	39559	37266	44894	59426	138684	27087	72042	47445	49255	43987	42193	50636	35859	61533	58293	63217	37462	48307	57939	61601	32512	0	0	0	36468	31645	0	45424	43658	50107	41420	31216	0	52636	59921	29168	46414	38790	28526	57643	41073	34785	33904	21586	35506	42431	53650	132281	104980	106643	30865	35461	51594	29740	38263	0	27836	56016	42622	43506	27509	36325	63339	58721	36970	62291	27914	27660	47833	38940	48351	57937	35578	32718	0	45052	48778	32172	68795	78806	67739	26977	52074	28293	44674	42125	0	40190	26518	Phytochemical	0.21875	1.25	0.0
20	C32 H40 O7	537.28467	537.2855	0.14195214	537.2847	9067	9336	3365	8539	3849	1584	10365	9768	7632	2938	7905	8707	2746	2764	12431	20899	29553	3819	3675	6436	7400	2736	9476	8691	10505	11185	10242	6446	9581	12292	10379	8815	11850	5766	7723	8604	9756	9207	25849	3860	12262	5231	0	0	0	3294	8996	0	11086	11342	10601	6188	4091	0	4290	7435	4757	13372	5669	11584	7632	3267	4603	4517	5611	4389	6963	26061	8382	14478	12553	4552	4613	9033	13700	8458	0	5821	17310	2670	12454	3406	12856	0	6432	5575	15066	3918	4879	23220	7020	9624	9863	6070	5234	0	9604	11232	7119	8598	9183	13373	7679	11095	2694	11697	7238	0	11885	0	Phytochemical	0.21875	1.25	0.0
28	C32 H40 O7	537.28467	537.2854	0.040397495	537.2847	8454	8453	9611	9348	7402	4554	7094	11147	11403	8137	11444	6134	13547	8527	9676	10923	10136	4348	12973	13395	12357	9049	8026	10011	12456	31855	8917	18149	12835	9502	9667	10185	12415	6053	11484	13167	18099	8878	13011	10696	9621	5778	0	0	0	6819	5654	0	10353	12190	11103	9460	7925	0	13328	16591	5768	11614	7461	4797	11421	8478	7716	8763	6041	9112	8854	10350	31104	19413	27742	6884	8418	12794	3384	7023	0	5549	15479	9505	8640	5002	11868	11637	13931	6245	17172	4629	5098	10393	9328	9896	12703	10852	4222	0	10184	10289	6333	24934	26745	15827	5218	11230	4392	9426	8840	0	7699	5807	Phytochemical	0.21875	1.25	0.0
12	C26 H40 O8 N4	537.2919	537.2925	0.32558623	537.29205	14424	10200	11037	16572	0	0	0	0	0	0	8103	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	115398	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16038	10536	0	0	0	0	0	0	0	0	0	0	0	0	1914	0	0	0	0	0	0	0	0	0	0	0	0	0	0	298218	0	0	0	0	0	0	0	0	0	0	1691568	975306	0	31974	0	0	11844	10287	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.5384616	0.15384616
10	C26 H40 O8 N4	537.2919	537.2928	0.36061156	537.2921	3469	2493	2536	2628	0	4212	0	0	0	0	1943	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30478	0	0	0	0	1220	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3734	2474	0	0	0	0	0	0	0	0	0	0	0	0	1856	0	0	0	0	0	0	0	0	0	0	0	0	0	0	98402	0	0	0	0	0	0	0	0	0	0	481601	209081	0	9814	2829	0	4112	4217	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.5384616	0.15384616
22	C29 H44 O9	537.3058	537.3065	0.019206371	537.30585	41970	46247	35392	41399	45799	20135	48202	47551	41739	29018	20712	28299	38432	19149	41341	46196	52108	36617	64736	34524	26367	27741	29749	42980	39320	19140	47773	23738	59244	45200	40750	55566	55539	33623	30638	50640	58430	39294	50070	15780	16433	24102	0	0	0	20941	13823	0	57617	35666	41891	47889	34234	0	60949	49840	32719	50695	38732	27606	50641	16761	52229	43635	25229	34428	30995	53993	9816	20841	23442	31947	35533	45594	46050	36682	0	36177	46953	17852	36150	19382	53357	27674	56098	33380	53333	22682	30774	43486	48832	47725	52492	17130	23862	0	37802	42224	31354	56242	59550	64650	31016	53521	17350	39772	37292	0	33315	41021	Lipid	0.31034482	1.5172414	0.0
20	C29 H44 O9	537.3058	537.3066	0.07219708	537.30585	12561	19041	14225	15841	13569	7071	22420	15494	13921	5619	7184	13978	14928	11134	14186	27320	29456	14538	22677	9397	7016	7354	13852	16935	12765	5751	27541	9734	24644	22531	17224	21429	18154	16091	8631	23193	20961	16850	31663	4668	5365	8058	0	0	0	6368	8252	0	24167	16148	17469	16534	11085	0	26465	16065	10048	27965	10074	11587	19600	3467	18839	15974	8518	14831	11188	33550	4376	10322	7357	9921	16516	22560	29741	17522	0	11029	24300	7408	17034	5609	21332	7285	23857	17923	26865	8796	11260	31248	20817	15290	16843	6294	3683	0	18076	17229	13755	26284	31948	25957	12560	13802	5058	14630	19414	0	15316	9343	Lipid	0.31034482	1.5172414	0.0
28	C33 H44 O6	537.32104	537.3218	0.0779866	537.3211	8345	5749	6094	6270	4417	2953	10900	10162	6593	1990	9289	7593	4720	5592	7743	8669	11343	2403	10781	6052	4146	4506	7080	5641	10641	19354	9011	11683	10893	18492	8392	10092	12873	7543	4800	17925	12565	7212	8930	5164	6398	5230	0	0	0	6097	2359	0	9897	13193	7719	7281	3976	0	8526	14642	6132	11467	8181	3234	9988	4137	2439	6829	5307	5483	7023	13954	12204	6222	8437	4674	6381	13198	6710	11231	0	6222	15644	11098	7647	4106	8865	8545	12705	7680	15993	3777	5843	12493	6801	7590	8804	8405	2295	0	7337	7228	4823	24987	30786	16349	9165	8485	3699	9611	10743	0	9505	2287	Lipid	0.18181819	1.3333334	0.0
24	C33 H44 O6	537.32104	537.3218	0.065983795	537.3211	18153	15130	11933	13781	5374	3248	15756	13488	12766	3256	14427	9629	5354	8867	14258	27933	33155	2814	14358	8014	5050	6204	9454	12987	14613	20651	20406	12927	15331	21089	11507	18047	21540	8532	3833	22326	16257	15303	31125	11121	14663	6570	0	0	0	5819	4890	0	13565	13388	12525	12117	5790	0	16557	18108	9537	17466	10378	13996	16078	7095	8353	6385	8737	5822	11453	38782	14159	13702	15784	5480	7916	15545	24525	15211	0	9796	18624	7246	17630	7953	12056	10493	14509	10758	25862	8097	8671	33582	16451	13513	20230	10086	7399	0	16333	14799	7791	25336	26754	22497	9855	16136	7880	18555	13704	0	18980	2545	Lipid	0.18181819	1.3333334	0.0
26	C33 H44 O6	537.32104	537.32184	0.045238707	537.3211	21358	23051	24507	21208	9516	7528	30297	36594	24622	8082	24028	18766	11189	15806	31444	34332	46169	8710	19341	21899	16377	13106	20082	21911	23523	44082	37894	27002	27637	36317	25177	24186	28608	17013	14558	33928	24805	27903	36093	17346	20285	13480	0	0	0	13303	10808	0	24632	39237	22058	25192	18288	0	18687	36323	18583	28849	16615	19239	26084	10608	8775	17428	12887	13365	17007	48869	35044	22568	31791	14407	17788	34804	26278	28224	0	21214	34758	19599	20355	11504	20043	27269	36058	19922	35866	10754	13436	36137	17093	21896	26595	16384	8365	0	19866	29634	16614	48767	48342	35458	21565	26438	0	26517	19815	0	28405	10365	Lipid	0.18181819	1.3333334	0.0
8	C34 H48 O3 S1	537.3397	537.3408	0.009217783	537.3397	961	1250	0	1146	0	0	0	0	0	0	0	1232	0	0	1529	0	18297	0	0	0	0	0	0	0	0	0	0	0	799	0	0	0	0	0	0	0	937	1356	17975	0	0	0	0	0	0	0	0	0	0	831	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	35985	0	0	0	0	1302	793	773	0	0	1094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1782	0	0	0	0	0	633	0	0	9384	0	0	0	0	Organosulfur	0.0882353	1.4117647	0.0
26	C30 H48 O8	537.3422	537.3429	0.046344716	537.3422	11286	10665	11806	9946	10409	4425	61409	12432	11966	1647	4868	5260	7472	14079	9467	14706	13177	7487	19155	7857	0	5555	6430	9541	19609	6283	48572	12137	17855	20195	15022	17412	23759	12442	5640	23890	20517	11646	13974	5714	3582	0	0	0	0	6318	0	0	18303	12132	11844	11547	6767	0	20720	8290	6641	16400	13420	6362	11908	4923	10480	12008	10087	12150	14401	13925	0	3437	0	7756	13439	17945	0	12500	0	7590	9472	8461	4648	6745	22416	14315	17853	11201	16194	5936	7970	18110	23200	21767	22280	3608	0	0	14096	13351	8548	13669	17820	28428	8044	12575	13087	10982	11842	0	12345	7771	Lipid	0.26666668	1.6	0.0
24	C30 H48 O8	537.3422	537.3429	0.067951664	537.3422	6317	10737	9873	9217	10831	4853	41989	9679	5589	0	2496	6185	5964	8999	6631	15906	15856	6374	9453	2250	2618	3783	4281	5749	10980	2582	25859	3963	9395	11287	7831	11091	12377	9321	5303	12536	12018	5620	20929	2243	2025	5111	0	0	0	1836	2199	0	11008	6610	7412	8170	6671	0	10446	12854	7087	12792	5891	5921	12342	859	10115	8591	10550	8224	10935	16703	0	1461	1405	5403	7243	10177	12066	10700	0	6105	8231	3536	5054	2624	21397	14301	13625	9051	12647	3718	5942	21782	14199	14449	14595	2612	2691	0	9750	4496	4696	12343	16801	17048	3569	11130	3950	9387	9624	0	9717	4180	Lipid	0.26666668	1.6	0.0
24	C28 H48 O6 N4	537.3647	537.3651	0.04929833	537.3647	3135	0	2885	1809	0	0	3010	0	0	0	0	0	0	0	0	1681	0	0	0	0	0	0	5375	0	64565	0	1869	0	0	0	0	0	0	0	0	0	0	959	0	0	0	0	0	0	0	0	0	0	0	0	4128	1652	0	0	0	0	0	2353	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1681	34746	123502	2398	8943	0	0	0	0	107604	0	0	69726	90935	11254	7200	6207	3641	0	3014	2621	0	0	0	0	1173	0	1749	3694	0	0	94391	0	Peptide	0.21428572	1.7142857	0.14285715
26	C31 H52 O7	537.3786	537.3789	0.34655657	537.3788	0	0	2761	0	0	0	34913	0	0	0	0	0	0	2824	0	0	11050	0	0	0	0	0	0	0	0	0	23379	0	0	0	0	4046	14222	2247	0	0	21876	0	7846	0	0	0	0	0	0	0	0	0	0	0	0	2197	0	0	0	0	0	5192	0	0	0	0	0	0	0	0	0	13888	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5003	0	0	0	0	0	2361	2941	2847	6023	0	0	0	0	0	0	0	0	30957	0	0	0	4315	0	0	0	0	Lipid	0.22580644	1.6774193	0.0
28	C31 H52 O7	537.3786	537.37897	0.39982677	537.3788	0	0	0	0	0	0	21874	0	0	0	0	803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11815	1141	0	0	0	19212	0	0	0	0	0	0	1079	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1592	0	0	0	0	0	0	0	0	876	0	0	0	0	0	4230	0	0	0	0	0	0	0	0	1517	1478	0	0	798	0	0	0	3145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22580644	1.6774193	0.0
20	C22 H19 O15 N1	538.08276	538.0838	0.35956427	538.08295	5595	5191	3452	1574	14736	6004	0	0	14684	0	2139	0	22688	2737	0	0	1397	7600	6968	3654	2665	7799	2550	0	0	0	0	0	0	0	0	0	0	0	3819	0	0	1248	0	0	2826	3039	0	0	0	4223	31880	723	0	0	4389	3715	5086	0	10499	14935	3920	0	0	2049	0	4453	15145	12126	5151	9676	1770	0	1592	0	0	1533	0	0	0	0	0	0	3352	11721	3242	10491	0	0	16235	3516	0	3486	1171	1758	0	0	0	17879	5440	0	2942	5791	11665	14365	16307	0	0	0	22337	2562	13409	0	0	22691	Phytochemical	0.6818182	0.8636364	0.045454547
22	C22 H19 O15 N1	538.08276	538.08374	0.31145382	538.0829	3273	2703	4227	3731	7628	6228	0	0	13357	3902	0	0	16534	0	0	0	0	7629	7043	2256	3416	8778	2309	1427	0	0	0	0	0	0	0	0	0	0	2798	0	0	1083	0	1460	3171	2807	0	0	0	5375	30028	0	0	0	1467	2109	4116	0	11300	10002	2901	0	0	0	0	4855	20327	13139	2928	5582	1658	0	0	0	0	0	0	0	0	0	461	0	2916	6192	2645	8134	0	0	13594	3952	3180	1316	1859	1637	0	0	0	12945	7710	0	2561	3407	13219	6702	14062	0	0	0	20289	0	8676	0	0	21555	Phytochemical	0.6818182	0.8636364	0.045454547
24	C22 H19 O15 N1	538.08276	538.0837	0.2748874	538.0829	2868	3017	1377	2571	10115	5719	0	0	11663	3213	1841	0	18684	1859	0	1489	0	11516	7465	0	7922	8289	2258	1069	0	0	0	0	0	0	0	0	1073	0	5447	0	0	0	0	1887	4683	1641	0	0	0	6270	25018	0	0	0	1468	3708	4368	0	11271	11061	2139	0	893	0	0	4621	15762	10387	4614	8292	1248	0	0	1377	1818	0	0	0	0	0	0	1078	3283	5609	0	10275	0	0	17199	4475	1135	1121	2494	0	0	0	0	10823	6300	0	2647	3434	9286	6554	9548	0	0	0	17702	1066	9220	0	0	16904	Phytochemical	0.6818182	0.8636364	0.045454547
26	C22 H19 O15 N1	538.08276	538.0837	0.16059065	538.0828	3484	2999	4585	4046	12038	6437	0	0	10579	2480	0	0	25000	1993	0	0	0	10577	10195	0	9197	9250	0	0	0	0	0	0	0	0	0	0	0	0	3024	0	0	0	0	0	3625	0	0	0	0	6358	26066	0	0	0	4797	2959	7847	0	16941	9796	0	0	0	0	0	0	18434	12079	0	7359	0	0	0	0	0	0	0	0	0	0	0	0	0	5677	0	8209	0	0	13044	0	0	0	0	0	0	0	0	8144	0	0	3577	5452	7508	7207	6618	0	0	0	18176	0	8323	0	0	18954	Phytochemical	0.6818182	0.8636364	0.045454547
18	C22 H19 O15 N1	538.08276	538.0837	0.2746485	538.0829	2441	2847	3177	2992	9394	2197	0	0	14533	0	1956	0	18059	2417	0	0	0	7699	10483	0	4447	7738	4428	0	0	0	0	0	0	0	0	0	1626	0	0	0	0	0	0	3617	3596	0	402	0	0	6711	29156	498	0	0	3084	3236	5231	0	13634	16719	5248	0	1307	1736	0	3352	18273	11630	4342	9244	2075	0	0	0	0	0	0	0	0	0	0	1628	0	13591	2209	12742	0	0	17957	5722	1588	3623	2801	4873	0	0	0	19272	5037	0	3894	3459	11967	11643	14948	1830	0	0	16949	0	11246	0	0	12079	Phytochemical	0.6818182	0.8636364	0.045454547
28	C22 H19 O15 N1	538.08276	538.0836	0.2630445	538.0829	3743	5071	2726	4879	10899	5486	0	0	8876	4521	2277	1144	22226	2771	0	0	0	17248	9681	3896	8966	11011	2582	0	0	0	0	0	0	0	0	0	0	0	7495	0	0	1378	0	2974	3710	0	0	0	0	7570	22838	0	0	0	4821	4990	5906	0	13180	9500	2121	0	0	0	0	6185	20476	10802	1726	8791	2137	1503	0	1460	0	0	0	0	0	926	0	0	2566	8904	2911	7448	0	0	14640	4036	2136	1689	1777	0	0	0	0	11682	7236	0	5147	5809	8521	7935	9590	0	0	0	19382	895	8166	0	0	21915	Phytochemical	0.6818182	0.8636364	0.045454547
12	C23 H23 O14 N1	538.11914	538.1201	0.237303	538.11926	10812	14752	10974	17202	18821	8754	3650	3988	26779	22152	13004	5304	33493	4681	5408	2370	6567	22889	24628	19600	28748	45457	9573	5485	0	3569	2480	0	2305	3587	1990	2159	5008	2886	31135	1946	5157	3988	4344	15861	19385	9874	0	0	0	34436	82617	0	3675	3347	13229	14455	13102	0	28607	23623	9325	3311	0	0	0	15717	42038	23947	6699	27463	8885	4653	0	2643	9974	1757	2648	2851	4551	2376	0	3846	13133	33077	7676	30498	2488	4747	32639	11017	6903	7659	4927	14328	0	3209	6627	50881	27977	0	10749	13496	32507	22931	25197	8523	2890	3272	66046	3625	25201	0	2137	33834	Phytochemical	0.6086956	1.0	0.04347826
16	C23 H23 O14 N1	538.11914	538.12006	0.25502387	538.11926	28251	28105	33659	42624	53604	29474	4668	12626	60631	47801	31853	12127	104675	19894	13324	12944	9672	60418	59907	50999	64099	101350	26465	13634	6220	0	7802	6679	5272	4527	11288	5720	13950	5587	72357	6723	13978	12561	11161	45458	40178	16073	635	0	303	98042	157830	444	8097	5397	29000	35190	32119	0	68089	52868	23767	16867	9366	5951	17523	40443	100315	54243	20035	62933	23249	8419	14254	11634	20751	11835	6289	4789	6969	5417	0	10905	29007	83884	21595	112206	2901	15309	66170	31522	15203	14475	16497	0	4505	15315	0	94290	95337	0	24801	31925	51241	56984	59886	12434	11412	12931	134324	0	50301	0	7022	80560	Phytochemical	0.6086956	1.0	0.04347826
14	C23 H23 O14 N1	538.11914	538.1201	0.29495957	538.11926	25860	17270	21792	21056	30718	16287	5749	5890	39486	32798	25183	5917	67827	9156	10596	9880	11280	46607	43804	35744	51368	73943	17645	5496	3758	2482	5722	0	5012	4715	2558	0	11179	0	45958	3922	7752	9377	9175	24440	40601	15788	0	0	0	62155	153790	0	3572	5014	18594	24121	18795	0	51429	37341	14399	8699	6710	6847	0	28583	66330	39941	13810	39984	14943	8617	0	9365	12070	4634	4309	3980	5316	1938	0	4347	15354	58553	12470	55268	3299	8319	50778	20177	10909	13555	13833	7034	2716	10170	7437	77321	50955	0	22162	26472	38364	32948	46016	14508	8385	8406	118050	7158	34563	0	6911	52704	Phytochemical	0.6086956	1.0	0.04347826
26	C23 H23 O14 N1	538.11914	538.12	0.15260187	538.1192	5319	5136	5519	4362	7007	4350	0	0	10728	11462	3851	0	19238	0	0	0	0	14159	10729	9109	10690	12346	0	0	0	0	0	0	0	0	0	0	0	0	11964	0	2451	0	0	6158	6670	0	0	0	0	34016	41854	0	0	0	5933	3322	5061	0	9432	7119	0	0	0	0	0	7277	16104	6596	2848	5883	3630	0	0	4058	4526	0	0	0	0	0	0	0	2990	11116	3631	23057	0	0	11448	0	0	0	2706	0	1779	3076	0	13348	11949	0	4976	0	7518	6236	6588	0	0	0	29326	0	8101	0	0	15119	Phytochemical	0.6086956	1.0	0.04347826
28	C23 H23 O14 N1	538.11914	538.12	0.12939963	538.1192	6829	5632	4088	4463	9273	4872	0	0	6253	12192	2655	0	14526	3361	0	0	0	10225	9627	11873	11550	7736	0	0	0	0	0	0	0	0	0	0	0	0	13446	0	0	0	0	5910	5469	0	0	0	0	25430	39528	0	0	0	5118	5084	5861	0	8620	5654	0	0	0	0	0	6720	12781	6952	2742	8181	2886	0	5375	5368	5932	0	0	0	0	0	0	0	0	8347	2927	16687	0	0	7790	2852	2443	0	0	0	0	0	0	8177	12673	0	6098	5979	4561	3358	5601	0	0	0	26618	0	4315	0	0	15223	Phytochemical	0.6086956	1.0	0.04347826
22	C23 H23 O14 N1	538.11914	538.12	0.16956986	538.1192	21458	16290	14108	23438	26364	22836	0	4754	42946	27792	8750	5364	59926	11016	13306	6868	3746	48530	32764	25308	44094	48220	13344	6734	5668	0	0	3774	3872	0	2144	0	4766	0	23822	3340	9474	8368	0	21756	21888	6988	0	0	760	99070	170732	0	0	4036	21382	13534	26796	460	55688	40688	15294	6594	3600	6118	5746	27152	47972	33176	13156	26916	12046	0	13272	10874	11906	0	0	1003	2648	0	890	5754	15526	48044	9386	87188	4362	6044	60286	21888	10268	4898	5612	4466	7452	14406	13528	57198	60948	0	19378	20038	36196	27854	35040	7076	4584	8606	132762	8972	41136	0	3868	65672	Phytochemical	0.6086956	1.0	0.04347826
18	C23 H23 O14 N1	538.11914	538.12	0.21674508	538.11926	631764	535696	472272	335004	793964	390024	57420	105888	759856	1897212	877900	120420	1401184	244560	265224	225508	22712	812120	751396	998800	1292720	2263832	306384	267224	198032	378856	92996	489480	0	118988	201748	10448	240056	0	1990136	18588	134500	220178	192612	1157276	1122040	123520	7760	0	0	1599944	1786236	1564	56824	66376	503440	494800	476400	0	1047744	579088	246736	250240	332980	194524	230862	947204	1393316	772466	126988	810008	433964	110960	445864	709614	938444	87064	117400	167500	55984	0	0	158732	265388	1357224	369288	1421176	270216	636300	644420	423488	201236	364340	351692	235576	349232	753468	585088	1484892	2318064	0	649132	536340	387448	499792	572376	303092	185864	294240	1475636	172648	753532	0	210890	1145468	Phytochemical	0.6086956	1.0	0.04347826
10	C23 H23 O14 N1	538.11914	538.1202	0.36650205	538.1193	4280	5321	6328	5341	10120	2070	0	0	11119	9077	6249	3300	19848	2812	1408	0	2484	14340	12129	6300	12969	12033	2703	2767	0	0	2181	0	1342	1430	1604	1371	0	1241	15623	0	2233	2999	3460	5553	12729	5293	0	0	0	9251	36221	0	2984	1169	4789	6744	5976	0	10901	11773	5685	1778	0	2157	0	5237	22531	11626	3030	9609	3558	2097	0	1524	5145	1103	1884	0	2209	1850	0	1251	2983	6803	4437	10293	0	1436	16895	4747	3883	2299	1952	4410	0	0	3523	19918	16669	0	4789	5653	12765	12426	14189	3545	1754	0	13888	1573	12514	0	1234	19271	Phytochemical	0.6086956	1.0	0.04347826
24	C23 H23 O14 N1	538.11914	538.1199	0.25540102	538.11926	11922	11247	16356	20046	22695	19266	4539	0	31230	30204	9159	0	81408	10401	9552	6228	0	41646	25893	26958	43506	48258	13572	4605	4158	0	0	5733	0	0	0	0	5022	0	26538	0	8097	4137	0	16869	27731	0	0	0	0	93042	176415	0	3264	0	22266	16080	16569	0	53193	34104	14388	7140	5736	3888	0	25116	54462	30765	7905	29070	7746	0	7389	12264	11004	3459	0	0	0	3696	0	4500	14787	34941	11430	80670	0	4794	36102	16416	9486	0	9525	0	0	6864	5868	57277	58881	0	13425	31770	24141	18459	28725	0	3054	0	140354	0	25983	0	4074	61356	Phytochemical	0.6086956	1.0	0.04347826
16	C22 H23 O13 N3	538.1304	538.1313	0.116806634	538.13043	11360	11408	20223	18488	18474	11998	1208	6759	26210	22908	14568	3995	35842	11256	5750	0	0	19926	20636	20240	15596	43895	12183	5420	6437	0	1049	0	1679	0	3686	0	4428	3914	39326	3812	3576	4820	4542	22714	13020	6801	0	0	0	42241	35894	0	3940	4822	12762	11452	15033	0	28114	17955	11368	8022	0	0	0	13852	34060	20628	8436	28998	6826	5149	0	8420	9324	7877	0	4294	0	2450	0	9213	14062	22406	12718	47592	0	4448	24273	8422	3744	2141	7530	0	0	9931	0	37470	26760	0	11727	11666	20066	25922	25083	0	4142	5072	30028	0	13961	0	5667	24548	Peptide	0.59090906	1.0454545	0.13636364
26	C24 H27 O13 N1	538.1555	538.15643	0.17706227	538.15564	5518	5982	3155	5980	7350	6103	0	0	7909	17870	5159	0	16596	2607	0	0	0	14786	10015	15040	17547	11858	0	0	0	0	0	2486	0	0	0	0	0	0	16783	0	0	0	0	11549	7394	0	0	0	0	32119	39243	0	3711	0	7018	4258	5890	0	10079	6907	0	0	3759	0	0	7338	14779	6762	0	7409	3027	0	8636	10486	12442	0	0	0	0	0	0	0	4118	5597	2645	19296	0	6304	7474	0	1938	0	0	0	1726	5361	4202	8133	18102	0	6098	5461	6668	4388	5166	0	0	0	29433	2688	7312	0	0	13515	Phytochemical	0.5416667	1.125	0.041666668
8	C24 H27 O13 N1	538.1555	538.1566	0.26291952	538.15564	5945	6544	5983	6305	4736	2670	2121	6311	7939	17361	10583	4279	13787	1366	4089	5271	5063	7805	9192	10552	18969	12846	5908	8014	1615	1934	2268	0	3557	3469	3405	3526	3689	4124	21397	4436	3588	3288	5866	8829	16371	3975	0	0	0	10485	22545	0	4013	2790	8903	9128	3487	0	11466	6836	3858	6037	3374	5414	6957	6038	13688	9242	2873	8553	3798	5810	8852	3740	7189	3004	4431	3292	3371	3216	0	3442	4879	4986	2365	6774	3403	3197	7719	4132	4611	4794	3394	6781	0	0	7737	12636	14118	0	8261	8008	7681	9475	7937	6276	2313	4788	14099	3671	6614	0	3432	10762	Phytochemical	0.5416667	1.125	0.041666668
14	C24 H27 O13 N1	538.1555	538.15643	0.19380102	538.15564	62597	67316	65142	61659	44677	46169	32956	49685	60209	133757	72851	34261	89989	28982	40959	50873	35409	77971	87655	144106	154176	172294	47643	54330	33414	71276	25977	32574	46949	34928	43309	34616	47643	27333	179455	43057	46134	37775	29159	104297	93040	34175	0	0	0	177740	202712	0	38133	51054	65798	61138	33545	0	96709	54276	30784	41385	68542	32191	68870	82198	88857	60079	25735	54797	39542	29174	75451	59094	43625	37493	35238	41869	28024	30540	0	33070	44798	111073	34836	119688	25733	45728	58112	46997	32514	28737	34923	41476	34399	43322	67226	116347	116188	0	62033	74607	51677	41241	50775	52871	27842	62058	206322	34306	52386	0	25119	79150	Phytochemical	0.5416667	1.125	0.041666668
18	C24 H27 O13 N1	538.1555	538.1564	0.16647913	538.1556	450037	448438	413249	448653	392028	287375	113827	277242	413613	1100867	552377	119675	648360	162442	210458	147474	62234	481367	442332	834046	877637	840199	289751	276565	217144	413428	126296	346331	205395	178036	249100	209978	321099	194038	1495500	186109	300629	209372	53071	747337	435054	163334	12520	0	0	2156902	982438	0	264427	204265	393558	383705	241309	255	698152	277975	171519	303325	285815	103683	151266	521008	666322	407466	160064	432946	255771	137680	403654	716360	569833	299224	174800	233196	93831	162373	336	164339	354657	355318	190307	973370	160206	412135	384661	246902	255693	139116	211704	92142	212128	292406	308124	587906	733332	0	378641	382965	455850	273760	276120	254997	137560	262659	806950	169428	248972	0	187536	625725	Phytochemical	0.5416667	1.125	0.041666668
22	C24 H27 O13 N1	538.1555	538.1564	0.22474	538.15564	53300	40652	52796	40384	54118	46564	14120	25702	72508	115722	41326	12186	120346	20664	37327	26198	7002	102296	60526	100864	116498	81454	34777	25224	21658	28928	10826	26826	11564	14050	15524	10766	31914	20212	145980	16566	25786	21584	13540	69192	54044	23930	0	0	0	237648	233870	0	20480	23764	53964	40328	38806	540	79350	57020	25854	18712	29548	9930	21996	72462	103524	61624	16794	54336	22552	13384	41576	61954	50920	18546	14496	12250	10858	12048	0	20654	24962	63396	23956	177004	24340	44060	72316	41172	26408	18164	21304	13220	20390	14098	30855	87044	103940	0	47054	55288	65306	36014	34424	22778	18138	32874	226980	17158	50910	0	15260	107804	Phytochemical	0.5416667	1.125	0.041666668
16	C24 H27 O13 N1	538.1555	538.1564	0.17901616	538.15564	73218	66132	66986	72286	69840	53880	32116	54222	79283	171343	79800	32810	122130	30428	48082	46823	31756	118940	104830	179401	165519	172462	58776	55081	42452	43266	25185	35715	43095	40467	44547	42530	54937	35688	202362	43324	50470	41798	22136	121297	86932	40309	2178	0	0	228706	221867	0	45509	44589	79305	79859	48788	0	113048	71252	31956	47522	61119	26261	55709	90212	106705	75389	30943	75323	49794	24764	62619	67492	67172	49918	41209	47234	26682	34584	411	35345	50205	108736	37923	165712	38050	72052	80593	48151	39228	29701	38896	40991	41511	65037	82694	119099	173089	0	78315	94588	62244	49509	55484	54825	29132	58156	201505	48902	66802	322	29388	109453	Phytochemical	0.5416667	1.125	0.041666668
28	C24 H27 O13 N1	538.1555	538.15625	0.23758481	538.15564	3827	5163	5353	4618	4514	6431	1037	0	6424	17904	4083	0	10689	1986	0	2433	0	6568	6109	16229	14012	7148	0	0	0	3672	0	2742	0	0	2147	0	2619	1469	14493	0	2072	1986	0	8402	6772	2270	0	0	0	22300	28808	0	1772	0	4908	5446	3801	0	5008	4329	0	1694	1333	0	2228	6233	7794	3504	1016	5401	2471	1134	6118	14992	8354	1890	0	0	0	1026	0	1293	2577	5255	1685	16227	1193	6085	6395	2152	2101	1453	1442	0	1844	3816	3036	5685	10060	0	4803	5068	4056	3211	3279	0	0	2438	19250	2414	4683	0	967	8362	Phytochemical	0.5416667	1.125	0.041666668
24	C24 H27 O13 N1	538.1555	538.1563	0.2465562	538.15564	8357	8113	7679	8275	13294	11922	0	4207	11600	23445	5904	2172	24358	5607	4437	3018	2274	19788	17355	24890	25813	12523	4838	4866	4661	5331	1384	5037	3653	0	5065	2990	2421	3105	23246	4902	3308	2697	0	16919	11680	0	0	0	0	51537	65388	0	3466	3051	7825	9694	6991	0	15831	13357	5327	2108	4131	2497	4027	14814	22186	12458	3531	13896	4863	0	10594	20432	13945	1957	2511	4089	2585	2022	0	2996	6799	13263	4623	40277	1662	7624	13352	8236	3443	2106	4267	3024	4151	5681	6185	13092	25844	0	8362	7550	11698	6488	6106	2784	1146	5802	48925	1875	14851	0	3050	17931	Phytochemical	0.5416667	1.125	0.041666668
12	C24 H27 O13 N1	538.1555	538.15643	0.22215967	538.15564	33517	39771	32563	41068	28328	17427	22393	30496	41110	83845	36895	20761	45819	9604	24835	28915	29957	44066	49150	91909	95366	88766	31933	35876	12787	19716	13474	21772	26888	22198	27210	21045	27940	20926	118912	24297	26171	21639	27724	63972	82304	24215	544	0	0	96913	130654	0	17708	28120	40311	34594	23921	0	47575	28221	15869	27396	22659	29434	0	48984	55925	34885	13750	41474	21399	23510	39839	27111	35751	21692	20792	25910	17158	17266	0	21039	33302	48125	22361	65504	21509	33435	42244	20871	28232	18948	16650	27654	25917	32753	35272	69103	69540	0	48186	47533	35110	24509	26706	31159	17670	34891	110495	24663	27828	0	18677	47030	Phytochemical	0.5416667	1.125	0.041666668
20	C24 H27 O13 N1	538.1555	538.1563	0.16964486	538.1556	76287	69664	70772	66322	64372	64395	29711	41871	100414	185573	57644	25734	163582	36329	48229	39973	24686	125448	100657	179661	145862	140196	41496	42568	42557	55274	19351	34084	43415	38961	36878	30198	37588	37184	178270	41660	47444	31572	13529	123033	67071	31986	1404	0	0	327096	253337	0	39327	36760	65093	58715	56421	529	121661	71364	34117	27832	51306	28041	26732	100695	126768	62322	23213	88201	36754	16477	60945	88139	65525	44694	33263	41005	18157	28335	0	31458	56443	84738	35631	174438	18862	69589	82364	44498	32035	28951	32063	15920	52608	59262	66579	113143	123020	653	79716	78577	78981	54720	54615	44713	22274	50727	245475	37791	71798	0	21421	127230	Phytochemical	0.5416667	1.125	0.041666668
16	C23 H27 O12 N3	538.16675	538.1674	0.010546007	538.16675	69872	58158	50859	60679	35820	43085	31448	50528	77702	160029	62010	34614	85253	13947	47563	36130	6540	74097	66544	127107	105075	124596	39237	42647	33415	33945	26664	39555	39728	28044	47474	41016	36588	37450	434266	44545	46384	33765	23123	87987	45918	30765	0	0	0	381251	145827	0	49987	44170	74184	61800	47049	0	71389	31774	22167	33064	47238	21516	10743	66118	74997	40860	27581	71707	35164	30891	32805	61821	61980	52121	43161	35354	33035	48335	0	38005	35467	47001	41142	277174	36691	48027	43312	24965	38423	28092	39348	0	31412	64592	0	61669	114483	0	61448	47013	57069	37099	36858	44793	25775	37738	136410	0	36165	0	30179	73565	Peptide	0.5217391	1.173913	0.13043478
14	C23 H27 O12 N3	538.16675	538.1676	0.11342353	538.1668	14918	13724	10677	16677	8698	5433	5803	12592	10756	7386	0	10264	12676	3270	14096	14132	8738	13109	13097	10836	11507	22763	13422	21201	10161	0	8831	0	17660	8199	11848	0	18536	11775	10608	10773	11990	12974	7992	10903	8940	6316	0	0	0	14779	13411	0	14682	13685	11544	9758	6379	0	20142	7667	6415	16753	16274	0	0	8803	13119	13185	6570	12036	9903	12643	0	0	0	12610	9565	16065	7172	9399	0	10735	10085	0	10307	8705	6653	9642	6903	7037	14053	8860	7170	16077	12800	11741	23590	11226	6338	0	8838	11071	6321	6835	7549	16056	8719	15143	0	16194	5304	0	8081	14182	Peptide	0.5217391	1.173913	0.13043478
22	C28 H27 O10 N1	538.1708	538.1716	0.10047443	538.17084	7136	5661	9150	4512	7359	0	1435	1342	8361	43232	26255	0	7056	0	1384	0	0	7399	6470	22710	21801	19659	3000	2353	2816	32819	0	23273	2635	1277	0	0	2808	0	42680	1282	2532	0	0	20848	27450	2837	0	0	0	14679	24106	0	0	2359	10093	7526	3759	0	5170	4241	3545	2130	2828	3477	2365	16834	13450	4622	2371	8735	3610	2917	34632	43846	44567	1130	990	0	0	1729	0	2359	7205	14455	2637	13727	3152	18679	7767	4382	4435	3008	3147	3035	5003	5135	4784	20512	27136	0	9979	8593	6709	4378	0	2706	0	5086	13364	5601	4941	0	2925	8932	Phytochemical	0.35714287	0.96428573	0.035714287
20	C28 H27 O10 N1	538.1708	538.1715	0.10877149	538.17084	7691	6815	9045	8485	4775	0	2923	0	10607	42878	33691	1938	5575	8140	3620	4212	2134	9770	8247	26497	36511	14767	2924	2750	4239	36370	0	27558	3005	1493	1321	0	4870	1513	49891	0	2163	3406	1597	23249	27657	2800	0	0	0	17807	20769	0	1945	0	11879	8520	5750	0	11000	5383	2563	3563	3224	2764	2404	16808	10581	10958	3757	9415	5131	4292	35006	40675	51020	2875	1953	0	1637	2047	0	1414	6583	16271	5864	11584	3231	18640	7428	6172	1811	3349	3620	5052	6821	8506	6547	19646	25155	0	7381	7241	8338	5109	9602	2997	2163	0	14050	4263	6737	0	1166	6264	Phytochemical	0.35714287	0.96428573	0.035714287
24	C28 H27 O10 N1	538.1708	538.1715	0.11701355	538.17084	4992	4248	5904	4119	2653	1443	1543	1839	5540	21902	15073	0	2940	2998	1814	1930	0	4523	3759	10528	15947	13016	1501	1185	1585	17523	0	8984	1596	0	0	0	1642	0	30137	0	3012	2279	2683	11078	12989	0	0	0	0	10313	9952	0	1181	1877	4500	3771	2202	0	5385	2885	0	1658	1224	1141	2108	7988	7319	3381	2184	3931	3008	0	19867	20893	22795	1395	0	0	0	0	0	0	1507	7407	1723	8298	0	10411	4843	0	1976	2867	1879	3804	2607	2684	1942	7716	16255	0	4311	3671	2988	4539	3930	1825	1189	1931	7160	0	4023	0	0	3433	Phytochemical	0.35714287	0.96428573	0.035714287
14	C25 H31 O12 N1	538.1919	538.1928	0.14881247	538.19196	93326	70400	87277	85684	51463	51631	55028	99234	64358	188763	94488	51230	85078	30823	70278	80284	59970	79593	74088	181928	169171	140438	68825	107475	64632	88703	38570	67553	85347	85132	72875	92242	80853	56698	221021	86205	77502	55952	53809	122411	91887	52965	0	0	0	157408	163662	0	70906	86987	79615	73495	44437	0	89693	44080	29336	75351	99513	74437	94532	97367	73579	65356	34591	63310	52893	50115	104104	114394	87763	79622	75411	91078	52505	73944	0	55563	59891	73108	60960	88990	61683	82969	58719	44688	54349	49419	58466	65381	62631	86643	112811	89671	108332	0	85933	94584	45712	37125	46604	98052	51297	117710	139265	61710	50182	0	50271	64933	Phytochemical	0.48	1.24	0.04
16	C25 H31 O12 N1	538.1919	538.19275	0.14662251	538.19196	128152	137982	113560	120437	90052	74722	72266	140955	95153	266062	119238	68951	135469	50593	111109	115050	70771	148634	159922	288201	244248	179015	116689	129991	81635	139457	55504	101053	138220	114593	115331	132833	113246	96639	338454	127752	125609	83816	66076	222109	125050	72692	2970	0	0	271071	208434	0	109164	120982	121717	120060	79148	387	143255	82653	53053	102440	130757	58504	142579	135142	118009	99064	41187	100166	78709	63750	139750	197377	144586	130101	119929	142884	74726	112258	0	84612	92793	94328	72435	166074	90967	136324	91275	73854	75134	56719	65543	81403	105843	131742	166787	106642	178597	1155	133971	156378	83308	67051	77701	119901	74112	143568	192242	102151	86306	375	81171	134166	Phytochemical	0.48	1.24	0.04
26	C25 H31 O12 N1	538.1919	538.1926	0.20870437	538.192	9386	9022	8212	6993	10632	7229	2600	7192	9566	29013	4758	3577	21996	2933	0	0	0	11192	8554	21893	27452	8570	6668	0	0	13451	1588	3526	0	0	4027	0	3745	5934	27795	0	4260	2534	2700	14368	12784	0	0	0	0	27912	25253	0	4773	0	8252	5566	5225	0	14891	7109	2898	5624	3764	0	5050	10303	15318	7932	2819	11791	3720	2158	9672	32103	21423	7356	5036	0	0	0	0	3051	6141	4936	4367	11533	2658	10268	12606	0	3315	2927	2995	1938	4008	0	4662	6684	19086	0	9375	8252	6569	6255	0	0	0	0	21493	4205	8216	0	3558	19420	Phytochemical	0.48	1.24	0.04
20	C25 H31 O12 N1	538.1919	538.1927	0.15283836	538.19196	98486	96863	91427	85766	90168	83601	37229	87270	99552	238004	85965	41441	161367	51010	74373	75293	40799	144172	154111	235601	204647	124942	70641	77687	64562	137360	34500	64765	80909	76482	65293	64346	74102	71343	262913	73783	73923	45879	31143	158638	79515	57916	3589	0	314	269295	196268	628	62628	66327	97952	83445	71440	0	141170	86704	38624	62926	81867	32620	74911	113283	115059	92717	40287	89441	66708	33085	99873	179833	117324	71107	72353	86806	44654	54265	295	54001	65627	58852	57489	130004	53772	106998	95461	63372	54913	49808	53966	33497	67776	79821	101342	80522	121095	0	96965	103908	80728	58769	69663	74710	45729	85737	182604	66105	88463	0	48618	124776	Phytochemical	0.48	1.24	0.04
18	C25 H31 O12 N1	538.1919	538.19275	0.18159878	538.192	1070110	906504	827010	869388	633454	550851	440827	885408	743827	2404859	956060	415869	956101	354160	713233	598680	350502	780231	1122494	2057711	1718236	1041114	670382	854734	692538	1023060	409031	736143	727366	708735	745573	794825	838362	725035	2752154	740168	812163	595596	401618	2560097	766947	467370	14520	313	0	1592266	951176	541	738064	764360	833028	857297	481380	382	1083271	502177	347158	692578	723350	368270	634933	1531599	1031240	793265	314216	668323	495470	448285	786525	1481458	1210721	848197	596582	665250	409137	687613	331	597739	613430	595443	647487	959656	506857	888677	612408	438406	631784	305327	472189	462479	646976	827220	904712	654264	1138236	727	753571	910272	616360	440192	371206	679321	428205	876568	889901	553158	562043	0	508696	1013380	Phytochemical	0.48	1.24	0.04
24	C25 H31 O12 N1	538.1919	538.1927	0.155807	538.19196	18134	21717	17235	17006	25759	14591	3568	12287	22032	47752	15552	7275	47233	7556	10940	13106	4684	35741	30765	43101	42298	18924	14886	14284	10668	27571	2655	10699	8469	8949	10051	9128	9917	14996	51353	8527	16403	8679	6305	27766	17741	9896	0	0	0	66444	65095	0	10537	10316	18403	22783	12364	0	25108	18352	8556	10021	10551	5429	14018	24307	31901	22667	5936	22681	10772	2662	26987	52397	32849	13357	11006	12425	7709	8126	0	10672	14075	11232	13792	40449	5254	22699	27148	10197	9185	7939	7183	4915	11149	13370	16660	16443	27723	0	16000	22620	16484	18992	16924	11043	7523	12957	44031	10012	18594	0	8103	42218	Phytochemical	0.48	1.24	0.04
12	C25 H31 O12 N1	538.1919	538.1928	0.16956432	538.192	45590	40140	35996	39298	21072	19060	35630	54174	31022	78538	46715	26267	36956	12432	34494	40509	40592	38522	40996	92489	82494	68351	39946	41834	29167	32686	20080	30709	42130	35227	39892	34070	52391	35062	117998	42445	32878	28740	32190	66271	60953	21873	719	0	0	80296	82981	0	36911	44941	41484	41358	17778	0	46177	21083	17252	40352	45020	36126	48074	54854	46201	29860	13339	33479	26818	35580	48609	47881	49700	36877	32954	45538	26093	34771	0	29720	32345	29771	25412	46370	32434	36926	33062	18482	30559	14162	21166	39263	30174	40962	59511	46049	47885	0	45869	58180	26843	18658	22098	39945	28473	44913	73213	34956	20511	0	28198	42323	Phytochemical	0.48	1.24	0.04
16	C24 H31 O11 N3	538.2031	538.20386	0.23191205	538.20325	82651	89833	105130	96247	46182	51495	55431	104509	82426	441618	104178	60327	80908	31487	88433	98233	51890	66550	66879	200848	146649	110595	70999	93695	72980	78603	47452	89250	93095	80545	106384	95234	100052	75708	504426	76488	98931	57365	61433	135787	86022	46609	891	0	0	153877	119271	0	100772	64973	84682	92358	60074	0	97159	61140	41493	101320	85539	56610	79094	70245	100768	58610	36060	61364	48097	61077	79578	133551	125805	83659	91686	75517	59569	72383	0	56951	90452	34095	68013	99139	70382	90069	71160	41278	71851	41765	52933	0	90228	71224	0	66516	85893	0	91046	99637	57924	43653	39254	81034	58529	92497	89433	26218	57716	0	76522	100515	Phytochemical	0.45833334	1.2916666	0.125
6	C24 H31 O11 N3	538.2031	538.2042	0.23971774	538.20325	6026	6573	6423	9500	3904	3223	5389	8342	4839	5814	3480	3338	4830	1215	6972	9343	7303	6634	6166	7030	7310	10205	6063	13665	4847	460	4940	0	5623	6020	7183	9456	9419	6026	9345	6876	9882	5704	10444	6410	7027	4349	0	0	0	7660	6978	0	9603	6157	7213	7199	3270	0	8447	3392	2442	11928	6792	7528	10597	3098	6664	5244	1929	5127	4142	9910	0	0	3699	7670	6887	5353	3845	5302	0	5456	6401	0	5463	3785	4737	2649	3610	2379	7553	5736	5130	16459	10241	12957	20854	5780	6346	0	7147	7401	2617	3360	2350	11299	3798	12424	0	9183	1926	0	5117	5560	Phytochemical	0.45833334	1.2916666	0.125
10	C24 H31 O11 N3	538.2031	538.2041	0.13200349	538.2032	18976	22995	18106	15783	9241	8629	17688	29446	10167	19113	5435	14308	12858	0	20027	24970	16154	16611	18641	21612	13639	41124	19960	32857	20530	0	11193	5696	23522	19670	20956	21963	34407	19898	22568	25989	32824	19324	20057	22076	12359	9183	0	0	0	24934	18507	0	26203	23235	23078	19187	10960	0	13973	5220	6320	27291	22976	12702	24575	15780	12002	11989	7889	12778	12305	26010	0	7307	5611	20535	18871	21928	13291	20984	0	17692	20980	8932	14980	10587	15028	9180	8444	8416	18234	12334	12293	29969	21554	37536	56475	14505	15951	0	24024	18836	5385	7841	5591	20978	16788	29292	0	30593	6911	0	21579	11623	Phytochemical	0.45833334	1.2916666	0.125
14	C24 H31 O11 N3	538.2031	538.204	0.15266567	538.20325	32488	24333	26620	29614	12495	12162	20026	35456	19213	37360	18194	16390	18851	2821	29418	39095	27522	19718	20590	31900	32762	25646	32077	40131	33708	14004	22730	10759	36837	28476	28318	22874	35833	29173	49782	31280	47548	29537	26025	35574	17951	9364	0	0	0	38282	19615	0	30130	18510	29108	24074	17330	0	28901	14099	10080	39484	42415	14967	23963	28096	23134	17274	14357	18725	16458	21654	0	25675	17871	23088	27901	32891	18223	28112	0	25930	29016	0	31841	23917	25308	21312	14646	8343	27855	13513	16833	28676	21000	43081	50418	23801	25451	0	33247	31283	13531	13253	9953	32748	19413	41498	0	26278	13765	0	27321	15184	Phytochemical	0.45833334	1.2916666	0.125
24	C29 H31 O9 N1	538.20715	538.2079	0.0294331	538.20715	6995	3340	5839	7526	3917	2445	0	3524	7149	20524	17989	1666	7506	4117	2465	2986	3476	7367	5747	14754	21365	6561	2554	3815	0	25347	0	20249	3016	0	2931	0	3171	2511	22868	0	3558	2238	1717	18874	16676	3709	0	0	0	10258	12916	0	3818	2326	7307	7065	4425	0	3692	3729	3230	2962	1949	3576	3733	12704	3876	4747	0	7898	6079	2946	31582	32794	38767	3093	2295	1854	2029	1212	0	1688	6106	8313	3314	9228	2204	11471	9888	0	5011	1316	2183	5213	5777	3934	8802	7493	8088	0	3751	6128	5362	5315	4424	2997	1842	4375	7601	4825	5220	0	3869	5472	Phytochemical	0.31034482	1.0689656	0.03448276
24	C26 H35 O11 N1	538.2283	538.229	0.10552173	538.22833	0	39498	43632	35093	0	35870	14788	42891	51465	95785	29959	18496	83524	21585	32302	33590	12654	68856	63504	105029	98138	34103	33249	0	27191	80208	13095	25640	32257	0	0	0	0	34371	105967	0	0	23395	17630	56555	37599	18775	0	0	0	81737	66966	0	36436	0	40014	38106	0	0	66726	35108	17163	33148	27321	12281	39109	40852	61321	0	13485	0	29391	13538	68038	114336	98199	35641	32764	26437	23760	0	0	23006	34560	19456	34153	42222	21823	34673	49225	31333	26301	0	0	21278	29698	29104	0	19697	51408	0	41532	0	33119	32633	39648	0	0	37633	46388	26713	34066	0	21152	69086	Lipid	0.42307693	1.3461539	0.038461536
26	C26 H35 O11 N1	538.2283	538.22906	0.103315756	538.22833	14928	13822	18520	13313	20011	16035	3385	15258	20586	47000	11047	6834	35274	8332	10118	11539	0	32292	29277	41384	43352	13538	13252	17018	9204	33446	3636	12401	8763	7939	10999	8912	11095	10281	35040	10595	12164	7223	5002	25768	12613	6899	0	0	0	33119	25578	0	14176	13481	13883	12196	14548	0	22845	20867	7373	9634	9389	4454	19622	15435	23680	15442	6934	19686	9303	5754	31035	54548	42064	15919	9936	9544	7925	7440	0	10979	16211	7269	15521	12102	5035	14962	19043	10735	9308	6963	6546	5834	10746	11514	14847	6541	16262	0	15810	15488	13601	9951	14446	9659	6699	13571	14985	10646	17380	0	7547	27665	Lipid	0.42307693	1.3461539	0.038461536
18	C26 H35 O11 N1	538.2283	538.229	0.14941385	538.2284	192670	168082	175602	160454	124042	122989	0	233919	125075	307183	0	117627	180250	79516	176677	0	0	192517	242698	0	324639	179844	185799	228709	167030	274825	114572	0	237145	187749	182345	183907	191761	0	317795	215455	186715	121502	112670	257292	149029	0	5218	534	0	269354	0	354	184636	188231	0	180103	125659	650	203612	125604	80799	174988	178769	93612	0	157629	0	139086	70500	142097	115752	105340	212436	0	265898	0	157442	0	135125	170894	0	133920	144623	103296	143259	153007	0	157091	146674	0	125479	91509	117779	107228	168733	183496	251700	91147	186711	1328	176499	201477	126151	101515	118097	200202	121236	234832	146763	0	113960	425	123295	155547	Lipid	0.42307693	1.3461539	0.038461536
16	C26 H35 O11 N1	538.2283	538.2292	0.13700308	538.22833	115439	102801	107862	113281	62907	64374	77097	0	77838	173761	85663	73425	95729	36766	117621	124022	79167	121261	120413	236893	206087	109734	113609	165245	97388	162051	65275	75261	131675	129704	117996	129358	124756	103005	180894	142800	117443	76534	77377	151276	109189	77076	2559	0	0	144326	121711	0	0	117652	114096	111283	65613	374	99569	69834	47635	115898	101258	66278	136929	84765	79117	78455	43041	69572	60422	79318	136101	184515	145608	126652	112810	140993	99922	0	0	86181	90785	74554	82982	79216	90296	106789	88748	50602	79689	55348	60044	97583	102292	119127	187299	60483	111474	481	120948	0	64197	49368	68046	132316	72561	151070	80668	111385	77662	0	80582	89919	Lipid	0.42307693	1.3461539	0.038461536
10	C26 H35 O11 N1	538.2283	538.22925	0.23662858	538.2284	14599	15566	13352	8374	4594	6885	7920	14183	6197	20339	6544	8796	7577	5557	8721	13671	8356	5790	9086	17922	18479	20196	11622	17323	10508	8774	6981	8064	14470	11017	11755	16223	16420	13155	21794	15915	17349	5142	9221	16850	9823	6127	0	0	0	18177	11171	0	14472	15338	10525	12041	6501	0	9875	6399	5358	14238	8882	9780	17105	11278	10388	8782	2557	7082	6052	9235	0	11551	10525	13651	13044	11703	7485	12871	0	7672	7963	5255	8121	7077	9138	11152	5723	5296	7539	4211	7311	11972	15496	13920	23964	6754	16777	0	11850	11376	7779	5628	6489	11887	7522	12446	0	11106	6496	0	8369	10854	Lipid	0.42307693	1.3461539	0.038461536
20	C26 H35 O11 N1	538.2283	538.22906	0.15249139	538.2284	187757	180957	180924	153519	161512	147628	93016	0	165345	365480	153142	102455	231624	110427	171923	0	0	241428	264166	440448	355996	186797	179055	207711	159606	283768	87783	129367	0	0	165977	161795	180932	153927	399902	187864	0	118314	74960	267914	134714	122455	6341	879	347	310841	203667	0	163056	0	172658	178689	133477	452	224248	147170	78602	154574	166096	72884	0	175809	195333	167379	78280	155313	121931	80181	220130	393989	284957	0	174511	200898	0	0	0	0	146533	92769	0	137923	123543	181038	172474	113491	119488	94616	0	89581	161059	0	249636	102877	190711	1190	186463	200280	138084	112860	128099	196501	0	219307	188421	162733	146377	0	109306	228397	Lipid	0.42307693	1.3461539	0.038461536
28	C26 H35 O11 N1	538.2283	538.22906	0.11696324	538.22833	5157	5139	7919	5301	5047	6104	2670	7363	6783	18228	4296	1655	13094	3188	3468	6424	2359	7208	9327	21583	18526	4411	5420	4931	4174	18132	3160	6364	3682	4043	4245	1982	4311	3935	20627	2203	4343	2873	1978	9494	6967	3144	0	0	0	9943	8181	0	5439	4816	5565	6334	4707	0	7285	4241	2478	5419	2300	1404	4170	5362	9364	5988	1658	7684	2752	2353	13266	29740	24327	3840	2420	2785	2290	2881	0	2541	4653	2039	2901	6351	2215	8474	5190	2118	4470	1507	3175	2884	3797	5201	6550	2435	6820	0	5552	6977	3688	5099	6267	3799	2242	5116	5220	3481	4524	0	3141	7430	Lipid	0.42307693	1.3461539	0.038461536
26	C30 H35 O8 N1	538.2435	538.2441	0.072739236	538.2436	3566	3984	3980	5137	3552	0	0	0	0	6050	10302	0	3739	1950	0	7015	0	5329	0	8311	7518	3216	0	0	0	20187	0	9938	0	0	0	15869	3141	0	4425	0	1971	0	0	11179	12698	0	0	0	0	0	0	0	4836	0	5239	3321	0	0	0	0	0	4108	0	0	0	5734	0	0	0	4052	3230	0	18806	20400	23895	0	0	0	0	0	0	0	2592	0	0	0	0	8369	0	0	3649	0	0	4975	2130	3506	6081	5081	0	0	5505	0	0	4759	0	0	0	0	0	0	0	0	0	3075	Phytochemical	0.26666668	1.1666666	0.03333333
22	C30 H35 O8 N1	538.2435	538.24426	0.036342476	538.2436	12230	10612	10555	9986	7426	6681	2574	8823	4572	21783	24042	6289	3907	0	7709	16054	8857	5597	7200	30690	24152	11546	10021	13551	9578	45396	3734	26023	9555	8246	6238	14580	10010	7029	16784	6011	11517	4179	5682	19256	27694	8665	0	0	0	13833	15865	0	11228	9126	14974	13172	9168	0	3091	2501	4382	15537	7551	8570	14285	17525	2253	5495	4988	5934	9860	7976	37151	44919	57671	9035	6682	5808	5191	6492	0	3603	15341	11525	7045	9486	7450	23521	7839	5533	13830	7873	8783	17939	15975	12379	24615	7274	11656	0	10579	7122	5184	6653	2647	13735	6959	12793	5092	12864	4757	0	7259	5063	Phytochemical	0.26666668	1.1666666	0.03333333
24	C30 H35 O8 N1	538.2435	538.24426	0.037005298	538.2436	9254	11668	6606	9810	5948	4799	2762	7101	5093	13435	22383	3537	5069	3455	5797	12349	4320	7984	7138	16830	20875	12361	5718	10324	6668	40650	2245	25296	4016	5692	6113	12432	6697	7859	17831	8450	9113	5889	3962	23594	25170	6576	0	0	0	14229	13962	0	7289	7170	4388	10760	6893	0	4456	6295	3441	5248	5927	6685	13382	12397	4493	4999	4004	5342	7448	7236	41473	34321	47898	6650	5174	5949	3212	6076	0	5834	7963	8452	7070	7159	5111	18868	7319	3542	11455	5666	5944	9878	9124	8963	14939	8033	10020	0	9229	9268	4151	3520	3844	7842	3343	12076	6421	12889	3236	0	7700	6910	Phytochemical	0.26666668	1.1666666	0.03333333
6	C24 H35 O9 N5	538.25073	538.2514	0.33965284	538.2509	6342	9123	9099	8949	0	14214	2832	5376	4098	0	2772	1932	3078	4206	5202	4908	2895	2613	2925	0	0	2130	4092	0	7344	0	0	127446	5442	4566	4503	6813	4116	6402	0	3462	6381	3696	0	0	0	1788	0	0	0	0	0	0	7836	2811	6726	7860	3399	0	3009	4863	1947	6276	2256	0	7638	0	0	0	1554	0	0	0	0	0	0	4506	6030	4830	0	0	0	3351	3321	381864	0	0	1635	0	0	0	6813	3672	0	7167	280140	119253	10254	33729	8190	0	7041	7521	1359	0	2091	5739	0	0	0	5055	0	0	4446	4170	Peptide	0.375	1.4583334	0.20833333
26	C27 H39 O10 N1	538.26465	538.26544	0.082120396	538.2647	32438	24436	30159	24515	36527	20210	8371	25448	35392	62899	25719	13468	55642	19247	26801	28215	8865	43727	51922	73299	64288	31485	23498	31164	22891	55263	10411	20119	30387	19838	20358	22761	28776	23141	66980	25962	0	17467	15815	38003	27619	13093	0	0	0	34194	31300	0	24835	19104	29566	27093	22338	0	42927	31626	13493	27876	20591	8489	30663	24753	50814	34573	10891	36453	21609	9933	55426	96021	82455	26870	21117	19195	15545	19132	0	19835	31377	9737	21611	20133	17407	24208	37108	21129	25266	14942	20438	16321	22841	26213	38556	10917	27977	0	30177	31305	21560	27814	33786	25215	9430	24681	16790	21773	28142	0	16090	48520	Lipid	0.37037036	1.4444444	0.037037037
18	C27 H39 O10 N1	538.26465	538.26544	0.07035766	538.2647	103196	84159	92326	97226	72293	61127	63692	137968	68825	109099	81856	65171	82011	44548	0	129747	89414	92008	116762	167318	139379	79196	107143	141266	89058	141263	61770	68393	162651	109262	103398	117281	110408	112182	93670	127913	112137	77832	81626	99575	65442	71880	2406	0	0	107044	79166	0	115091	109022	106328	89918	60355	0	112783	81313	44098	115595	75625	63465	133138	62877	85074	65115	40162	73542	69509	85096	110834	147731	130997	98756	94832	117426	0	109851	0	71808	98509	62178	0	52844	70885	50934	90640	71671	79802	65239	62650	77312	100340	107769	150317	39681	80534	658	99592	104725	59758	63346	82236	0	65006	122877	53510	97070	69309	0	76831	70034	Lipid	0.37037036	1.4444444	0.037037037
14	C27 H39 O10 N1	538.26465	538.26556	0.16094175	538.2648	13947	15228	11742	15284	7023	8414	12577	25746	7727	16966	7569	12940	7214	4976	12804	30650	22492	6604	9427	28637	22959	12230	12068	27640	14457	17055	13737	0	18710	21946	20685	17443	20998	14338	14184	21351	17042	12307	16523	11807	6527	10626	0	0	0	13122	13156	0	15126	17182	15591	12481	5365	0	10794	6977	6082	20584	11343	18152	0	10430	7827	7849	4618	6939	8367	20160	0	14331	11382	15231	16779	20512	12336	17608	0	15265	14356	19140	9861	6362	10209	10906	9454	5886	16956	8801	8410	18321	26763	17915	31227	6349	10123	0	16113	13794	6459	7625	9436	21903	9080	22750	0	19474	5755	0	10911	7601	Lipid	0.37037036	1.4444444	0.037037037
12	C27 H39 O10 N1	538.26465	538.2656	0.24175744	538.26483	15208	13824	19694	8752	6872	7061	9336	24866	6470	15680	5232	9806	7366	3894	16510	15386	19436	3468	7652	25730	21820	19864	18164	20180	13322	7740	7230	12675	22324	20628	18740	20176	24064	13752	25224	23772	17064	11134	19576	20700	7358	10152	0	4362	856	14922	0	0	22116	20916	11532	14924	7142	0	10018	5764	3678	15090	0	0	0	7452	5998	7722	3378	6722	6126	11472	0	12458	6794	11488	17874	16512	16572	14964	0	13918	19020	0	11138	4386	9046	8806	5444	6006	10714	8104	11924	20004	21720	20526	25868	11926	9956	0	12978	15384	8018	6030	5438	15442	10432	20808	0	16186	2658	0	13018	5796	Lipid	0.37037036	1.4444444	0.037037037
24	C31 H39 O7 N1	538.2799	538.2806	-0.005058346	538.2799	5483	9519	4777	5852	2790	1635	4117	6764	2777	5700	13314	5201	0	3489	6101	12818	6423	2655	4647	11313	10088	5624	4277	7589	5347	19969	4749	8657	7250	4807	7653	8441	7263	8676	3206	10343	10171	4750	8140	9556	15480	3728	0	0	0	6282	4419	0	10678	10666	3716	4787	5903	0	2217	1917	1316	11309	6232	4605	7044	4446	0	3476	2147	3223	5583	8488	16940	15527	22959	6506	9938	5389	4956	9512	0	3424	4787	6974	4907	2506	3819	8134	4955	3648	8631	5253	4034	9702	7246	10209	13216	4111	3049	0	5926	6576	1701	1582	0	9208	4294	10721	3094	11570	1674	0	4511	1893	Phytochemical	0.22580644	1.2580645	0.032258064
26	C31 H39 O7 N1	538.2799	538.2805	0.059274144	538.27997	4000	0	3529	3029	0	2504	0	10962	2092	4353	7658	0	0	2938	0	0	0	0	0	7044	8204	2533	0	9446	6098	21133	0	11318	0	0	4216	4318	5679	4161	3352	0	5127	0	3789	8066	8045	0	0	0	0	0	0	0	5865	7155	3590	4056	3270	0	0	0	0	7723	3280	0	7188	0	1871	0	0	2779	3397	3541	17999	11091	13231	4089	7628	7479	0	6539	0	3998	2986	0	0	4457	4363	9549	0	0	8791	2811	3243	5423	4520	5150	7480	2978	0	0	5433	5305	0	5013	0	5072	0	5965	0	5435	0	0	3535	0	Phytochemical	0.22580644	1.2580645	0.032258064
14	C24 H43 O12 N1	538.2858	538.2864	0.19087082	538.2859	0	0	0	0	0	0	2929	1610	0	0	0	2319	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1450	0	3791	7426	5826	10275	2206	3178	0	10510	2923	0	0	0	0	0	0	0	0	0	0	0	2753	2050	0	1898	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2112	9313	30976	0	6599	0	4926	0	0	0	0	0	0	0	0	0	0	1127	0	8413	0	0	0	0	0	0	2196	0	0	0	2723	3890	0	0	0	0	0	0	0	Lipid	0.5	1.7916666	0.041666668
10	C25 H39 O8 N5	538.2871	538.28784	0.4296466	538.28735	4584	1405	7350	0	0	1393	0	0	0	0	0	0	0	0	0	0	0	0	3405	0	0	0	0	0	0	0	2718	36117	0	0	3048	0	0	3135	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3510	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	246153	0	0	0	0	0	0	0	0	0	0	372159	88407	0	16329	0	0	3615	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.32	1.56	0.2
6	C25 H39 O8 N5	538.2871	538.28815	0.321089	538.2873	1205	682	907	0	0	2334	0	0	0	0	1127	0	0	396	0	0	0	0	0	0	0	0	0	0	0	0	0	16487	0	0	0	1764	1358	2942	0	1477	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1017	1330	0	0	0	0	0	820	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5234	2946	0	0	0	0	0	61807	0	0	0	0	0	0	0	0	0	0	76796	22571	0	3352	0	0	1017	1187	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.32	1.56	0.2
8	C25 H39 O8 N5	538.2871	538.2879	0.20840074	538.28723	0	926	1881	1699	0	2245	0	0	0	0	0	0	871	0	0	0	0	0	0	0	0	0	0	0	837	0	0	40555	0	0	0	0	0	0	0	0	961	0	0	0	0	0	0	0	0	0	0	0	0	0	1216	2120	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	114963	0	0	0	0	0	0	0	0	0	0	127633	33642	0	9336	0	0	2136	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.32	1.56	0.2
26	C28 H43 O9 N1	538.3011	538.3019	0.072207324	538.3011	48517	49016	50628	46971	72096	36600	25381	65032	63298	61325	42460	22604	81356	31954	43275	49170	22747	70908	96055	83271	87696	41645	50665	56262	51015	76248	25089	42703	67101	51904	48141	43203	0	39113	87936	60291	0	32993	23782	53107	34827	41291	0	0	0	46571	26919	0	48691	46682	51937	42704	47098	0	94146	64625	28823	53046	40065	18754	51763	31092	69343	63766	19067	50667	41184	30088	66037	112080	91195	42947	38628	41492	31716	38306	0	35824	56444	20102	40400	26073	36927	40349	71776	39517	51847	25392	32201	30866	57452	62983	72340	24815	35458	0	49901	50309	39473	61582	59789	63717	23212	63455	29428	40039	55749	0	33919	62810	Lipid	0.32142857	1.5357143	0.035714287
20	C28 H43 O9 N1	538.3011	538.3018	0.086237684	538.3011	48672	43426	46303	40540	45067	26539	36035	63245	43361	34821	29280	39994	51166	27386	54852	74833	62677	44437	71453	46916	46278	29649	51657	70201	50716	58029	36859	27495	60057	54015	46458	53338	50048	39770	20943	61807	51574	36897	51953	29555	25968	29518	0	0	0	33527	31354	0	49057	50543	45063	41806	43526	0	66646	50041	30289	63740	33185	32357	67686	18499	42702	49839	25188	45446	30765	51312	49056	55794	59204	43353	50731	64798	64842	50390	0	39466	53365	24213	41905	21968	32496	21456	70293	45157	61867	29338	37726	48724	48448	46802	69923	16663	29312	0	41897	46913	39563	44965	60621	66736	36268	54216	28853	44177	49485	0	43338	49139	Lipid	0.32142857	1.5357143	0.035714287
18	C28 H43 O9 N1	538.3011	538.3019	0.12122741	538.30115	16754	16109	11398	13505	10286	7270	13806	18986	8420	5611	7013	13566	8603	6044	18104	29371	18889	7103	21013	13478	8219	9897	16595	18512	11976	13641	13365	10123	18766	20922	14774	18624	17541	12996	14195	22022	21471	15197	21807	7293	8952	11418	0	0	0	8731	4196	0	22308	17536	18842	13269	10913	1815	17783	9895	6934	21151	8525	11722	26410	5388	5454	7489	5538	11369	6739	23792	11274	10951	8687	15593	12273	19666	23780	25243	0	11138	13672	6810	15267	7363	11817	6672	13968	10741	19443	9593	8338	12881	12189	19919	27899	7405	7110	0	10011	12532	7432	10253	17233	19133	11114	16135	2958	17507	14682	0	15428	10105	Lipid	0.32142857	1.5357143	0.035714287
8	C29 H44 O3 N3 S1 Na1	538.3074	538.3082	-0.65584177	538.307	0	1156	0	0	0	0	2107	0	0	0	1105	0	0	0	0	0	1067	0	0	0	0	0	0	0	0	0	0	10573	0	0	0	0	0	0	0	0	0	0	0	0	2885	0	0	0	0	0	3033	0	0	0	0	0	0	0	0	0	0	0	0	6796	0	1247	0	0	0	0	0	0	69699	0	0	0	0	0	0	0	0	0	0	21238	0	0	0	0	0	0	0	0	0	0	0	0	0	2582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.10344828	1.5172414	0.10344828
12	C32 H43 O6 N1	538.3163	538.3169	0.13429992	538.3164	0	0	0	0	0	0	0	2402	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1219	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1143	0	0	0	0	0	0	0	0	0	0	0	22696	0	0	4570	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.1875	1.34375	0.03125
26	C29 H47 O8 N1	538.33746	538.3382	0.057883605	538.33746	32779	30298	32589	30945	50766	23465	36417	42565	36009	19806	21659	19155	39721	26351	33490	35423	29157	39671	68705	30422	29352	22322	28961	32238	42508	30702	28082	24937	51425	45060	31667	41401	51131	29205	26797	51343	55777	25732	30472	25093	17453	28413	0	0	0	23842	7558	0	37931	36117	33038	26942	35298	0	70756	41119	21431	39110	30494	14845	39845	16373	41391	46329	16086	35705	37287	29917	27100	35713	28290	31347	27110	39628	22954	32200	0	23777	36401	17162	27783	14860	32859	27387	54344	43969	41845	15785	28128	21201	39305	42616	46252	16569	17844	0	28886	33117	25343	46587	51287	62804	20112	44990	20049	30925	55376	0	34062	37580	Lipid	0.27586207	1.6206896	0.03448276
22	C29 H47 O8 N1	538.33746	538.3382	0.08685771	538.33746	12605	11245	10486	12337	18681	7687	14393	16325	9616	1947	5175	6721	10723	5878	12814	16793	25661	7825	18177	5317	3666	4419	15899	12625	11553	9352	16571	3391	15729	15062	12202	14597	15979	8503	4158	23844	15691	12400	20156	3399	2065	9652	0	0	0	6413	4943	0	19430	16169	11188	11167	10908	0	25689	13434	7614	13485	5673	7786	12030	2661	9810	13919	7784	8643	8968	24332	4296	8118	4722	6164	10791	20149	23364	13292	0	8669	15771	4654	13669	4067	14430	5157	25545	17246	16115	8353	7915	14607	11546	10133	12924	1924	3047	0	9865	8627	9128	17201	20073	22879	7826	18695	3542	12436	18156	0	12767	8956	Lipid	0.27586207	1.6206896	0.03448276
16	C29 H47 O8 N1	538.33746	538.33813	0.16539295	538.3375	0	0	1662	3995	2901	0	3510	10673	0	0	0	3194	0	0	0	16292	1474	12309	0	0	0	0	0	0	0	0	7307	0	7709	13595	11832	29034	4339	5607	0	6783	6091	1063	0	0	0	0	0	0	0	0	0	0	15234	8892	0	0	0	0	0	0	929	12067	0	0	10565	0	0	0	0	0	0	4788	0	0	0	7502	10924	11361	11670	8250	0	3719	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1822	3338	0	0	0	0	0	0	0	Lipid	0.27586207	1.6206896	0.03448276
24	C29 H47 O8 N1	538.33746	538.33813	0.036448456	538.33746	29172	30022	29833	29962	45836	23498	36289	36513	30696	19530	21310	20376	37295	21913	26437	41646	34383	34938	64690	28704	25592	15959	27383	34336	30520	27105	29763	22124	42062	37817	28134	42906	43279	26203	24287	44767	49698	24342	34521	20479	17041	24886	0	0	0	20061	14090	0	38391	29880	30207	25752	34531	0	58611	40266	23327	37833	23847	13004	44062	14154	39345	38415	20092	33732	27172	32875	18868	37518	23091	22277	30120	37499	28570	35101	0	25228	32568	13338	25271	13716	31477	17944	51687	37202	44336	17416	27013	31102	42393	29068	35520	9206	22288	0	23659	34870	28115	39285	45866	59344	20427	36210	13688	28355	51585	0	28595	34220	Lipid	0.27586207	1.6206896	0.03448276
14	C29 H47 O8 N1	538.33746	538.33826	0.12970461	538.3375	0	0	0	0	0	0	0	8072	0	0	0	1307	0	0	0	26835	0	0	0	0	0	0	0	0	0	0	1114	0	7370	8033	6401	39528	0	2168	0	5763	0	0	0	0	0	0	0	0	0	0	0	0	14758	8069	0	0	0	0	0	0	0	3819	0	0	0	0	0	0	0	0	0	1588	0	0	0	7807	7414	4697	3157	6008	0	2008	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2511	0	0	0	0	0	2009	0	0	0	0	0	0	0	Lipid	0.27586207	1.6206896	0.03448276
26	C30 H51 O7 N1	538.37384	538.37427	0.07681718	538.37384	0	3083	2696	3685	3734	0	14048	0	3729	0	0	0	0	1999	0	0	6187	0	9093	0	0	0	0	0	6935	0	16892	2729	6471	7822	3057	6304	5566	0	0	8568	6789	4582	6227	0	0	0	0	0	0	0	0	0	5990	0	5157	3187	3963	0	8521	0	0	4501	2476	0	0	0	0	2493	2660	2732	3193	8019	0	0	0	0	3879	11978	0	6358	0	2729	4334	30807	0	0	6387	3669	6500	0	8914	0	2384	4760	3148	4078	0	28236	0	0	2497	0	3308	4892	8636	10435	2954	0	0	2609	8456	0	6428	1760	Lipid	0.23333333	1.7	0.03333333
20	C23 H22 O15	539.10315	539.10406	0.326129	539.10333	6734	9561	4733	7691	13984	8327	1501	0	23238	5138	5728	2111	34134	6007	3940	0	0	22290	10243	5781	0	22985	4501	0	1329	2345	1242	2408	0	0	0	0	3201	1440	12517	0	1822	3720	1334	2951	5244	2488	0	0	0	19534	38121	454	0	0	7312	9366	7748	0	24473	19992	5284	1640	4283	1136	2169	10088	27807	18186	7372	18335	10074	2068	0	3988	0	0	0	0	0	0	0	2146	4731	18134	5265	21455	0	0	13802	6308	5331	3143	2991	0	0	4580	5598	22221	14350	0	8280	5356	12356	13859	14374	1718	957	2289	32808	0	16604	0	0	37190	Phytochemical	0.65217394	0.95652175	0.0
14	C23 H22 O15	539.10315	539.1041	0.29795915	539.10333	26478	33856	27282	37302	67074	30666	10086	5554	94816	38665	20344	11992	129641	16502	10980	10034	6316	64866	60072	14036	35778	91474	19296	6496	0	0	3660	0	4722	0	6370	0	8888	3192	63683	0	7266	14876	5588	14156	30532	13990	0	0	0	55293	113744	0	6650	2800	26476	30948	40606	0	77576	77144	29482	11234	0	0	0	19454	144093	89213	29288	93982	25889	10702	0	9191	8276	6032	8268	4166	3192	5390	0	9430	27886	60054	24418	72745	3808	7692	76125	30774	35464	24864	19840	13518	6736	10896	15306	125998	61664	0	37148	28170	66842	91474	104834	11124	13584	0	134152	17975	58128	0	4066	124153	Phytochemical	0.65217394	0.95652175	0.0
10	C23 H22 O15	539.10315	539.1042	0.3479443	539.10333	4380	3211	2782	3610	9328	3840	0	0	11714	4296	5418	1525	19299	2617	1300	0	1228	9930	7259	1647	3868	12761	3635	0	0	0	927	0	0	0	0	0	1407	0	6977	0	1233	2296	1843	1365	3537	2578	0	0	0	2674	16132	0	0	0	3594	2283	5731	0	9537	11824	4642	1672	0	3042	0	2019	20218	9710	3492	13758	2989	1695	0	0	2065	0	0	0	1717	0	0	885	5473	0	4096	6912	0	0	18058	3292	3459	2539	2969	1830	0	1862	0	11567	9499	0	5594	3214	10751	23508	17349	1637	931	0	0	1536	12478	0	1375	18270	Phytochemical	0.65217394	0.95652175	0.0
12	C23 H22 O15	539.10315	539.10425	0.28715745	539.1033	16580	21228	18000	17690	38124	15174	0	6630	56654	14684	23842	7808	81876	10582	8802	6778	3828	35410	49050	20770	13660	41934	19712	6016	0	0	6428	0	4616	1874	3446	0	6806	2784	48316	2056	5430	6736	6796	0	15426	9934	0	0	0	27254	89070	0	0	6728	12762	14796	30046	0	47316	43854	21226	6282	9850	0	0	13202	94241	55247	16636	53024	19956	8856	0	0	9418	7244	0	4148	3780	3050	0	4534	23480	0	15240	32458	1918	0	62337	16840	18564	9028	15658	12272	0	6758	13236	66576	26372	0	23252	16796	49708	72268	53880	6156	3856	0	53098	9318	38838	0	3782	95477	Phytochemical	0.65217394	0.95652175	0.0
18	C23 H22 O15	539.10315	539.1041	0.29730088	539.10333	13419	15398	12274	11726	28507	14061	1635	1773	35137	9884	7790	1934	59743	11709	5640	2225	3698	35525	22605	7065	15000	40681	10765	2085	6038	0	1508	3222	3082	1973	0	0	5774	0	17129	0	5008	7252	0	12115	11204	5304	327	0	0	35459	49042	0	0	2661	10572	14613	16996	0	29835	30803	10814	2319	5044	2419	4409	10770	61454	31352	11295	26095	10222	2649	3162	0	2602	1484	1907	0	2628	0	0	3208	10270	17401	9325	41696	1454	2703	27853	11843	8644	7291	8813	3261	4385	7187	2509	33546	16375	0	10151	13361	23627	28961	23647	4778	2976	2107	35821	7925	22584	0	1749	65834	Phytochemical	0.65217394	0.95652175	0.0
12	C22 H22 O14 N2	539.1144	539.1154	0.3007015	539.11456	2198	0	0	1794	5064	1922	0	0	3628	0	0	1597	9547	1206	0	1701	0	3902	4237	1938	3826	9824	1209	0	0	0	0	0	0	0	1280	1224	2084	1261	4004	0	0	0	0	2930	6742	3105	0	0	0	9067	33792	0	0	1389	2574	0	1923	0	7780	5206	2683	0	0	0	0	4805	15968	4701	1998	6252	1861	0	0	0	0	1328	0	0	1644	0	0	0	1831	0	1383	11119	966	1059	6809	2336	1858	2222	1180	0	0	0	0	12610	4788	0	0	3911	4406	6155	3121	1817	0	0	21071	0	3658	0	0	12110	Phytochemical	0.6363636	1.0	0.09090909
14	C22 H22 O14 N2	539.1144	539.1154	0.43363982	539.1146	0	4784	1860	3400	3432	2561	0	0	7874	0	0	2685	11532	0	1796	0	3950	6793	6502	1789	6238	21028	0	2815	0	0	0	0	0	0	0	0	1540	2095	5748	0	1954	1922	0	2802	7933	1019	0	0	0	10300	30901	0	0	2908	4050	3619	3223	0	7071	6852	2518	0	0	0	0	5380	11994	5786	3168	7838	2063	1764	0	0	2229	2176	0	0	1223	0	0	1338	2220	0	0	10096	0	967	7309	0	1804	1988	2820	0	0	2390	2332	15554	7587	0	4470	4929	3634	5646	3513	0	2598	0	0	0	4528	0	0	15365	Phytochemical	0.6363636	1.0	0.09090909
24	C24 H26 O14	539.1395	539.1405	0.4981193	539.1398	4344	7887	6169	5766	3560	5504	0	2131	8177	10500	5514	1342	11242	2608	3709	2837	0	8214	4338	13190	13649	9979	2592	0	2406	9216	0	6305	0	1229	0	1713	2506	2020	9517	2597	3050	1597	1251	13323	8706	2566	0	0	0	24648	27488	0	1077	0	4429	3093	2981	0	6433	2974	2613	3535	3228	1810	0	8729	8568	3242	1857	4489	4127	0	27826	13943	16048	2868	1286	0	0	0	0	1788	3194	10644	2047	22602	1526	8506	6205	0	1809	0	2475	2735	3054	3752	3970	9824	10535	0	6165	7533	4455	5652	3808	1620	828	2407	25646	2189	4654	0	2383	13077	Phytochemical	0.5833333	1.0833334	0.0
20	C24 H26 O14	539.1395	539.1404	0.23129228	539.13965	28294	25170	28170	24682	31932	31458	8378	15182	36478	41240	12005	7435	53903	17142	15889	11034	6071	52878	44167	40072	41712	58908	15814	14187	11047	6594	5004	9994	6971	8885	13291	8371	12405	7874	46975	8672	21771	12779	5609	36632	23638	8186	991	0	0	121347	114071	0	10785	6948	24563	24276	35140	281	45154	24356	12485	10862	15807	4157	13133	26875	51795	34153	11010	31935	17040	5892	13807	24575	17925	11934	9127	11249	4710	11220	0	12761	19327	28845	15704	85403	10160	21968	27393	17235	11153	8814	14823	5478	8880	18276	12690	45187	36071	0	24893	27455	27655	20096	23341	10706	10501	16360	100010	13179	24264	0	8948	61151	Phytochemical	0.5833333	1.0833334	0.0
18	C24 H26 O14	539.1395	539.1404	0.24662413	539.13965	50992	48796	50991	56602	64631	45926	16208	21534	73087	85699	35551	20466	102822	23318	34704	16424	13486	73084	69850	68701	60855	109114	35921	25401	24764	14523	17263	20879	20495	15596	24882	21276	30539	20440	109139	21494	36793	26285	15531	69072	35586	17966	1378	0	0	167222	151545	0	23836	21303	50024	44317	35706	0	95297	48125	25675	22439	35950	9217	17592	55131	97877	55305	21487	49446	33961	8306	21182	34099	27625	25951	17173	18393	10540	13433	0	26589	35238	53811	31326	154169	14471	31468	50030	28259	27079	16784	28342	8297	26834	42768	34981	77351	82051	0	56345	46453	47708	35481	37160	25453	18304	27987	127691	22841	36586	0	15956	90025	Phytochemical	0.5833333	1.0833334	0.0
12	C23 H26 O13 N2	539.15076	539.15173	0.19477794	539.1509	116872	97662	102855	81616	57497	41173	42130	66695	98610	142806	92704	50270	118040	24945	60840	54261	59962	82135	101017	118162	127984	246026	69679	60645	24730	18522	41766	24990	47982	41522	49460	53086	66579	42810	206621	47090	53769	57121	51523	96985	147607	38591	1354	0	0	209577	308187	0	47495	49041	95294	99838	51902	0	128243	67525	46385	61460	54421	44750	0	96033	155313	71795	37166	87735	53926	74022	0	28587	46297	43622	46206	39464	47087	41130	0	50025	82867	81857	61809	278980	38509	35154	96443	46814	60154	36556	44048	51432	24689	71328	64293	174315	151746	0	92950	110100	93179	83565	83594	66154	47493	64149	235095	50776	71382	0	36590	155741	Phytochemical	0.5652174	1.1304348	0.08695652
18	C23 H26 O13 N2	539.15076	539.15173	0.3383934	539.15094	13455	8586	6171	9614	7892	5523	4300	5465	10283	8488	4643	5521	11585	0	10671	6496	4860	9464	11121	9294	12454	20566	10703	9942	4110	3318	4336	2141	0	4013	7246	10624	7640	10070	7673	8287	8712	5233	5516	17919	5095	4396	0	0	0	28907	23376	0	7199	7016	8943	7754	4137	0	14222	5829	5951	6035	8901	4154	5451	8911	16131	10867	5303	7239	5781	6028	2959	5250	0	6106	6051	5919	5632	0	0	6693	6100	8158	6549	24690	3940	6532	8042	4664	4309	6271	6853	4013	10599	8911	11574	15765	9329	0	10325	7222	5806	5068	5235	8277	4599	6116	22733	7270	8818	0	5700	10930	Phytochemical	0.5652174	1.1304348	0.08695652
14	C23 H26 O13 N2	539.15076	539.1517	0.18371041	539.1509	22940	25173	23685	33451	13883	14230	12034	27400	22509	22771	13755	14374	36146	4202	22898	16646	14540	22329	18653	28931	30550	69385	21854	23898	10070	2458	9261	0	17886	18646	17127	23461	24049	14953	37056	17877	21464	17858	16995	27638	23019	10692	0	0	0	63443	85226	0	17073	19565	24161	25078	13981	0	33381	16562	8985	23221	33564	14620	30523	37039	39378	24688	8264	21216	12555	16249	0	5910	9119	18263	13778	20692	13018	15645	0	16626	16820	33493	16398	46680	10864	10698	21751	12251	17831	11476	17668	20922	12277	28843	36621	42734	36559	0	22518	21641	11250	14981	13226	22710	16699	21125	64676	21359	14382	0	13539	33737	Phytochemical	0.5652174	1.1304348	0.08695652
16	C23 H26 O13 N2	539.15076	539.15173	0.3048942	539.15094	17767	11008	17468	14968	8321	8155	9345	16679	16600	19527	7680	10173	27823	5017	17037	10907	14851	25018	25020	21646	23615	51204	16305	16479	7920	0	6341	4613	15271	8212	17552	14257	18274	12135	30140	14918	20143	10463	7983	23743	23063	8313	387	0	0	40307	38367	0	17860	13497	13278	17142	11616	0	21207	9027	6798	11109	15904	7617	18864	19979	27234	18821	6614	13749	12108	6157	0	3771	3981	12867	13272	11675	9055	9757	0	13263	12548	18048	8918	40274	8041	9265	12254	10045	14133	8328	5454	0	13919	19200	54493	25152	24619	0	20348	21776	10013	9100	9365	13144	12043	14333	39378	13693	8953	0	10513	31725	Phytochemical	0.5652174	1.1304348	0.08695652
24	C28 H26 O11	539.1548	539.1556	0.1854592	539.1549	17190	18041	15117	15269	21142	9592	2607	3773	32649	64136	33415	1576	35338	10812	4686	4652	2052	28941	25435	41661	40916	28356	10008	3946	7341	45623	2847	25154	1970	1490	0	2927	3834	1821	85326	2204	4692	3102	1946	21403	20088	6169	0	0	0	21895	25709	0	2854	2271	14812	15951	13978	0	24118	22282	9170	2858	4837	3037	2754	14749	44320	20503	8987	29582	7498	0	37834	65952	64507	2904	1375	0	2167	2468	0	2516	14033	23576	11073	18209	2802	18316	34882	15052	8276	6494	4511	5002	4795	8204	5981	30885	44608	0	14352	9505	24865	21799	24119	5141	2809	5467	15942	2153	22409	0	3738	36024	Phytochemical	0.39285713	0.9285714	0.0
26	C28 H26 O11	539.1548	539.1556	0.13321136	539.15485	9346	8739	10969	8851	17538	6494	0	0	16735	36769	13876	0	27032	6452	0	0	0	22166	14416	18067	24555	19367	0	0	0	24229	0	11034	0	0	0	0	1888	0	42090	0	2856	3351	0	13029	12759	0	0	0	0	8675	14942	0	0	0	9554	8200	7998	0	15815	18108	6406	0	2734	0	0	8170	26293	13990	5918	17624	4742	0	22083	37090	40910	0	0	0	0	0	0	0	8548	9615	4565	7676	0	6885	23954	11940	7124	0	3245	1812	2540	3835	0	19639	22477	0	7382	8322	11876	14309	14336	0	0	0	0	1827	9830	0	0	23387	Phytochemical	0.39285713	0.9285714	0.0
16	C28 H26 O11	539.1548	539.15564	0.12471461	539.15485	9058	11107	15016	10128	10837	7826	4502	0	15270	48818	31221	3559	13309	7878	4187	6355	2722	10355	12685	30411	33752	16997	8490	5800	3710	34224	4210	22912	3074	0	0	0	0	2563	41607	5626	4585	4786	4212	13217	14061	4459	0	0	0	13522	12592	0	2584	3200	11746	9556	8911	0	11285	8223	3912	5821	5542	3533	0	10889	23877	9378	6030	15009	7570	3108	40478	39557	47178	5362	2744	2520	2060	3641	0	3654	13920	9541	5583	17603	4710	13415	10927	6242	8538	3110	5260	0	4877	5723	0	18203	22998	0	8983	10939	17127	10764	12847	4415	2387	3365	7810	0	10370	0	3712	11911	Phytochemical	0.39285713	0.9285714	0.0
18	C28 H26 O11	539.1548	539.15564	0.16246466	539.15485	18699	22976	21148	25261	27083	13495	5196	5948	23069	106536	57464	5174	34196	19934	8060	7956	7389	21458	35154	54589	50424	37512	9954	7773	4949	74201	7102	35891	0	3485	2494	0	7942	7020	128774	4833	5335	7408	6570	33233	32124	4680	647	0	0	29050	31810	0	3710	3946	24691	20229	13246	0	22935	27034	11871	6209	4297	4155	8643	23712	44329	19747	10969	25081	11059	5580	62162	83214	95839	2839	3570	3177	3688	0	0	3278	21738	26882	13747	27892	6097	34547	32428	17271	18218	5233	9732	9269	12721	16783	9314	34823	54813	0	22534	22939	34579	31112	22968	8888	5039	7567	21684	7314	19491	0	7196	29075	Phytochemical	0.39285713	0.9285714	0.0
22	C28 H26 O11	539.1548	539.1556	0.17211768	539.1549	25015	29763	27357	28468	35648	18719	6317	5643	49889	107637	69536	4782	42422	24118	8352	7672	2327	44135	42324	65452	64662	57881	14613	6047	9491	84152	6610	43939	4104	2314	6091	6473	7959	5760	147690	3227	6121	12920	5414	39809	34745	8697	0	0	0	35302	39539	0	6689	3672	29957	26412	20957	0	37141	35658	15335	5784	5499	3843	7609	29957	55501	32034	15729	34903	17641	6298	69401	101265	99918	3857	2673	1996	2523	3641	0	4412	22209	31490	15526	28615	8053	36210	43021	24193	17635	10873	12825	7119	16195	17584	11104	50242	57776	0	26601	22735	37376	38320	44373	9801	3820	8155	26559	5366	34445	0	8842	50942	Phytochemical	0.39285713	0.9285714	0.0
20	C28 H26 O11	539.1548	539.1556	0.14771421	539.15485	34365	26209	31076	35182	41807	24346	6487	9243	47033	137232	75849	5962	46274	26400	12872	9216	7218	36337	34971	87601	78334	56199	13342	12122	8816	94562	5418	57024	6225	4292	6134	3952	10944	3786	168911	5301	12776	9279	4297	50261	40435	9001	1117	0	0	48457	48575	0	6367	5281	25772	33037	17117	0	42326	29750	17155	8550	10111	4799	7860	30109	60326	34188	16546	46490	20827	6829	76453	118600	133167	6932	4805	2888	5245	4179	0	4440	23187	40030	17873	35195	6963	50296	49165	21957	24041	15212	14030	8729	19384	22258	13917	52279	64534	0	33896	25484	41996	47702	34957	10025	4799	8087	29401	8799	35714	0	11816	42782	Phytochemical	0.39285713	0.9285714	0.0
24	C29 H30 O8 S1	539.1734	539.1753	0.31678534	539.1736	24497	19426	18954	22643	19324	19722	6474	14122	24674	67173	36732	8254	34074	10694	14392	18220	6420	39064	21282	42172	42165	31124	15974	21826	13661	31052	7222	13875	11814	9480	13042	10357	13125	8964	57172	10972	20497	13432	10609	39887	37453	5894	0	0	0	61682	45700	0	17069	10188	23356	22033	14392	0	38543	17689	10461	13116	20359	8600	15172	25236	24814	27037	10652	21286	12133	6036	40582	52029	47632	20645	17594	9046	6652	11992	0	13870	17540	17842	13826	55418	8456	19409	16050	10614	11293	6980	7428	8896	21572	29870	21264	18744	34836	0	25289	21253	13872	14116	8938	9962	12620	18142	43251	18733	12227	0	15324	29897	Organosulfur	0.27586207	1.0344827	0.0
18	C25 H30 O13	539.1759	539.17676	0.19044255	539.176	135744	131114	116225	121612	88780	89541	55462	117237	131152	282332	96780	52819	169642	46659	107427	73400	35854	132104	151592	249676	182664	208679	106237	104475	93894	70863	46790	73085	113905	84502	101498	99780	104791	99579	342458	104074	121790	78251	42719	184060	95360	44372	2735	0	0	334251	190499	0	96939	79238	130414	133517	80877	275	192892	79616	53265	100588	116203	37628	70576	126889	169412	117243	47121	114755	78101	45609	60829	146335	86351	121184	94414	101269	53501	99226	0	78251	87745	78953	72525	199329	72185	104795	91297	64083	74701	51562	62548	42065	91003	122022	112841	110914	179568	0	120300	110048	97887	63277	56265	86710	56907	111507	189340	80749	77323	0	64824	154601	Phytochemical	0.52	1.2	0.0
20	C25 H30 O13	539.1759	539.17676	0.17998682	539.176	74457	78639	75176	71201	61602	63649	30195	65648	88150	182382	55294	31396	103069	32479	62223	45739	17736	92185	92186	136572	105374	114852	55386	48906	53773	36875	31711	36143	60083	46220	58161	58021	62313	51553	183219	51026	64985	42705	21325	110613	46803	30900	2337	0	0	219580	118958	0	56719	44169	71267	87377	46144	0	104802	56223	34987	68639	72364	18568	46532	77929	107909	71606	28246	70146	48599	23211	41193	85271	51429	59395	59552	62861	25143	52224	0	53426	53840	49516	45604	128434	38903	60617	47355	36017	48001	27426	43331	24260	60484	62296	64809	62331	85247	0	77449	75590	60125	38336	40087	34309	36547	58579	140361	41446	50632	0	39133	119433	Phytochemical	0.52	1.2	0.0
14	C24 H30 O12 N2	539.18713	539.18805	0.15281795	539.18726	50108	42383	40949	41088	19292	27082	36784	59133	29970	62743	21932	28095	37870	11109	50742	45761	24898	34065	42648	61078	55179	86578	44553	60746	39584	5109	26681	12107	52157	41418	50797	55093	59126	44463	92166	48653	59050	38695	26979	64744	31737	24923	0	0	0	73456	37917	0	47234	42891	41649	32717	20601	0	48691	18604	14754	49486	82552	22794	64954	52275	38478	37012	17022	30031	30034	24818	0	17640	10792	42952	39971	48030	30837	44552	0	37056	37632	25608	27354	42602	32802	29332	21200	21756	32280	31883	27809	35413	44225	64826	86090	35541	50371	0	49728	41228	16508	17288	14323	53236	27302	69079	63595	41855	17162	0	33959	42849	Phytochemical	0.5	1.25	0.083333336
8	C24 H30 O12 N2	539.18713	539.1882	0.23997734	539.18726	15693	17959	11653	17368	10123	6709	4312	13798	8858	17682	6090	8241	18829	2901	9766	13145	10316	11335	11681	15484	15257	24836	8682	16415	4949	886	7464	3623	10108	9150	10464	14867	14625	10916	21812	8269	12678	9270	13282	15269	15780	6685	0	0	0	21113	16064	0	14704	10399	15274	15557	7062	0	16189	16553	6392	13395	8249	10303	14841	11260	19611	14360	5330	13926	9101	13556	0	2724	4304	14073	11313	9330	9769	7866	0	8655	9523	7737	8322	8446	9520	8547	23526	8174	9642	7971	7578	14338	0	12085	19303	11288	14656	0	13145	11860	12352	37026	34874	10760	8123	14024	0	12902	13920	0	8039	16010	Phytochemical	0.5	1.25	0.083333336
24	C29 H30 O10	539.19116	539.1919	0.12825939	539.1912	37084	34004	31034	32089	38077	21025	6364	11552	54106	101537	67715	8445	57636	27561	15301	11293	6085	38351	48648	77996	83193	32087	20334	13527	12191	121826	6220	56837	8590	7672	10595	10938	12426	9515	125030	12788	14025	13566	11212	63061	47591	6588	0	0	0	40983	37122	0	11315	8481	30993	35296	32079	0	46134	38386	17818	16125	10745	8310	15009	35339	60857	36387	18933	42047	19334	9788	106853	147749	170533	8303	7123	5211	5641	5527	0	8729	34335	27823	23576	27764	11430	41047	62805	25597	23492	10162	19358	15055	14280	20306	16156	37333	46961	0	33955	26449	38577	45638	48537	16651	8737	12419	23906	10259	35309	0	15085	56455	Phytochemical	0.3448276	1.0344827	0.0
20	C29 H30 O10	539.19116	539.19196	0.12477594	539.1912	50681	57021	53805	47357	61649	33306	16621	30102	72605	159673	114556	17052	59736	42385	22498	31779	16160	57397	56262	135563	128740	53238	30299	31685	22767	185644	20324	100915	17006	19016	19636	20718	30666	21911	221022	19538	26212	17753	22277	89996	80815	23796	1403	0	0	65703	61996	0	21143	26531	55161	49050	44552	0	55136	49782	25075	37455	22153	17440	26464	51120	69217	52322	25487	59735	31804	25829	135778	217957	250504	18823	19866	14137	14787	20533	0	20053	50455	38023	41158	36002	22967	87329	69478	36278	46054	24451	29243	30589	36172	37968	43622	52143	69705	0	51184	51767	56627	66084	49811	32617	17132	29509	40655	26931	45368	0	25495	62729	Phytochemical	0.3448276	1.0344827	0.0
22	C29 H30 O10	539.19116	539.19196	0.122564346	539.1912	66520	61360	54311	50056	65345	32900	15590	17869	82322	161002	120268	15122	72007	37366	27931	28920	16336	70206	69725	144721	133757	63198	38584	23086	25542	196227	14716	102779	23953	14303	20252	22747	26082	15130	200514	16997	29376	27104	19541	90464	75293	23218	0	0	0	63001	55470	0	20448	19502	51775	60752	40213	336	57648	66606	31435	28478	22077	17311	30829	56910	84388	57382	29947	67541	29054	15133	172705	248910	242410	21517	14751	13725	10206	16290	0	19612	48999	46290	36956	52679	17092	74382	77961	42055	41374	29053	28250	25113	32509	37748	31211	56406	77830	0	48311	48561	61710	69733	63449	26893	16337	23532	42596	20960	55735	0	25132	85168	Phytochemical	0.3448276	1.0344827	0.0
28	C29 H30 O10	539.19116	539.19183	0.13899447	539.1912	5849	5935	8270	5444	9567	2969	1442	0	11920	18329	10949	0	17320	4590	2864	0	2823	7910	11957	12006	13965	6918	3543	2519	2796	24981	2756	9849	0	0	1421	2093	2553	1634	20122	0	3740	2687	1882	8201	8564	0	0	0	0	4544	8976	0	2696	0	7302	5849	7162	0	9680	11420	3394	2879	0	0	3373	7133	12409	6939	3655	11996	5112	2215	24383	29434	41396	1210	0	0	0	974	0	1717	10345	7732	6134	3163	2454	6359	11063	5279	6396	2170	2063	2875	2273	5326	3460	7958	10509	0	6258	6832	8001	12459	15655	0	1276	3275	3316	2630	7726	0	2320	11085	Phytochemical	0.3448276	1.0344827	0.0
26	C29 H30 O10	539.19116	539.19196	0.12534267	539.1912	19519	19262	16842	14184	21575	10467	2345	0	24612	42358	28201	4321	35695	14240	0	0	0	19606	25937	35266	43136	17181	10846	9463	7104	54366	2336	25468	0	0	3909	0	4259	4135	47377	0	5905	5728	0	25279	25798	0	0	0	0	15921	19519	0	4507	0	21066	13611	12233	0	29819	21258	8149	5670	6496	0	7782	15865	32631	19565	6728	23889	9369	3492	70182	75014	90422	0	4180	0	0	3613	0	0	18756	10756	16488	12981	6384	23684	28104	16315	13204	8814	4950	4642	7371	9781	8691	17377	26983	0	14449	16983	20653	32979	27448	6341	0	6990	7895	4227	21586	0	6802	25357	Phytochemical	0.3448276	1.0344827	0.0
24	C26 H34 O10 S1	539.1945	539.1953	0.32097796	539.1947	20980	9314	8865	15146	5028	8917	0	4639	5148	17235	4034	8152	8458	0	11478	14282	3233	11299	9904	15871	18477	11821	5951	5257	6134	0	0	5895	0	3071	4471	9486	7314	4241	38608	10286	7648	3830	10088	23966	6194	3580	0	0	0	16341	12872	0	12482	3157	8216	17284	7678	0	5476	4859	4196	14452	17904	3850	11448	18256	5130	6163	2646	15984	8232	3793	6669	17641	6998	4800	3773	3118	4342	2877	0	3151	5804	12778	2358	10400	7810	12104	10814	0	6302	3277	3818	5339	21670	32832	26722	12498	29620	0	6838	6781	5478	0	0	8106	3617	7728	9760	6103	0	0	4456	9879	Organosulfur	0.3846154	1.3076923	0.0
10	C23 H30 O11 N4	539.19836	539.1994	0.33503047	539.19855	13207	11623	10278	10866	4248	9936	0	12308	8376	26368	4724	5916	8274	0	4699	15688	10154	7262	6734	11478	10493	25130	12140	15426	11063	0	3733	4374	11884	5649	2990	10743	11862	7363	37312	21220	11436	9023	14236	7238	12268	5546	0	0	0	0	7416	0	13274	10481	10720	13538	7106	0	14356	4544	4520	11709	6184	0	0	4200	9950	5806	2094	5574	4556	12361	0	4070	4640	7901	9110	8645	8563	7477	0	9056	16294	0	5436	2970	8056	0	7298	3774	9124	4226	6616	17737	89293	23174	20124	7465	4647	0	21914	10213	0	3732	2178	6150	3809	13438	0	7765	4050	0	11770	6988	Peptide	0.47826087	1.3043479	0.17391305
12	C23 H30 O11 N4	539.19836	539.1991	0.28128752	539.19855	0	0	4784	0	2418	1308	0	6244	2447	0	0	2099	2006	0	4631	6718	0	2344	0	0	0	0	5143	0	3148	0	2800	0	5938	3873	5933	3124	8499	4306	0	2000	3698	3515	0	0	0	2034	0	0	0	0	0	0	4731	3176	6058	0	2642	0	3710	0	829	5360	0	0	0	0	0	2560	0	1638	2804	0	0	0	0	5051	3764	3420	0	0	0	3156	3199	0	3139	0	3723	0	0	0	4457	1604	2948	6380	30328	13666	8766	0	0	0	0	0	0	1165	0	3873	2279	0	0	5181	0	0	6938	0	Peptide	0.47826087	1.3043479	0.17391305
8	C23 H30 O11 N4	539.19836	539.1994	0.33645076	539.19855	6164	5444	3579	4575	2034	2487	3600	6860	1966	0	2636	2923	2782	0	4196	5780	5144	1471	4612	3723	4113	7391	5005	6814	3400	0	3030	0	3911	4315	3457	5324	6966	5676	4290	3731	6403	3148	5946	4543	3020	942	0	0	0	4668	2148	0	4703	5129	5866	3616	1415	0	3177	1029	1244	6460	5065	0	5006	2388	3030	3773	2028	4503	2817	5943	0	0	0	4475	4797	3396	2871	2699	0	2853	3126	5380	3920	2348	2756	1961	0	0	5504	3261	2988	10546	65601	22631	13516	3699	6977	0	5000	5601	0	1062	0	4541	3136	5730	0	4917	0	0	4766	3826	Peptide	0.47826087	1.3043479	0.17391305
20	C26 H34 O12	539.2123	539.2131	0.14510678	539.2124	153380	158476	151418	136037	98582	103929	78080	175984	153124	392991	116598	73598	172058	72302	158904	120863	52245	174139	197353	292345	252374	182364	132477	146691	148005	109571	68719	99636	165650	136663	155448	140890	146435	133278	440248	142857	193004	111743	66392	202225	73135	65964	2468	767	0	229104	108305	0	145340	124952	153371	162715	99705	0	213845	88357	61722	135966	174435	40208	122196	131540	178435	148689	55852	120673	105537	60191	70320	218919	97996	151189	146519	152733	68147	128333	0	127547	112310	61870	102540	122979	101730	117015	89931	72519	99689	58006	91472	52761	136594	185615	180385	94255	135445	896	140532	166617	85746	72495	69350	129539	88112	148079	141341	119351	85841	0	89790	193592	Phytochemical	0.46153846	1.3076923	0.0
14	C26 H34 O12	539.2123	539.21326	0.22790955	539.2124	113404	103878	104180	107250	50082	42680	83638	147432	49876	180624	116646	79698	59608	26826	96330	121930	118874	58980	60464	285600	121726	114878	82056	134194	94295	94874	78382	96990	97712	114340	84988	134330	95750	84658	173724	108258	109722	80458	95264	111204	130298	46498	0	0	0	126580	138140	0	106964	105680	103694	106162	47180	0	73256	43568	43766	129928	149618	71872	155416	56754	77534	65866	34970	68270	51624	107358	66958	90934	85818	166942	93842	127974	94130	100118	0	76372	112338	74974	96524	75356	86938	87156	66728	49726	94412	52480	56058	135264	78404	88858	138535	81312	89934	0	94054	109062	49396	52054	50300	102018	67254	155108	96006	90944	44312	0	85880	61822	Phytochemical	0.46153846	1.3076923	0.0
22	C26 H34 O12	539.2123	539.2131	0.14165263	539.2124	71866	67111	74183	62278	53664	62441	31290	87511	77471	174827	43248	31275	92991	28998	72660	53617	19738	100932	84732	120754	107604	83720	66304	68812	72471	48240	25955	37963	80247	50986	67975	70128	73136	48614	203358	62125	85055	50277	22895	94310	30321	41137	0	0	0	128805	54873	0	72772	67215	83244	70789	48584	0	106615	49662	30598	65015	82069	19135	59462	57445	92684	72008	24684	56870	44422	21267	31105	122282	47788	69689	57263	73705	23503	52319	0	58622	54101	27339	52305	61451	46177	44156	51350	37705	46134	27824	35390	25156	67995	91836	88331	42945	63504	0	56504	62577	46753	39154	34225	55418	45537	69502	64137	54346	34423	0	39174	111870	Phytochemical	0.46153846	1.3076923	0.0
16	C25 H34 O11 N2	539.2235	539.2244	0.1920133	539.22363	23210	18010	23963	24367	5836	12202	16972	28338	13555	28519	10166	13752	16837	4640	29956	21251	13489	26024	20755	32181	18466	34981	25233	33736	31702	3179	16417	12693	34552	21184	29156	27924	30563	23799	35035	33197	35588	23412	13289	24455	9612	10633	0	0	0	24827	7057	0	31379	23514	20916	23207	11682	0	16596	7178	11475	25134	43404	6424	23000	16210	12112	14159	7922	9766	14547	0	5898	11565	4232	30410	21455	35525	11953	25689	0	16139	17227	6483	13143	14530	22075	14123	4600	10694	16432	13727	10745	0	34363	44985	46363	11069	18818	0	20055	20010	6495	8539	5920	28397	16293	33284	13913	25678	7400	0	23192	18322	Lipid	0.44	1.36	0.08
14	C25 H34 O11 N2	539.2235	539.22437	0.1470536	539.22363	21616	24320	17134	16860	6267	11428	19860	29480	8020	24478	6370	12144	10888	4365	23575	23854	14045	15075	17699	23310	23297	47204	19088	32499	24171	1717	13764	8487	29452	18790	21984	35161	33481	20344	31593	25079	29035	20133	14452	28495	10856	11509	0	0	210	35018	10498	0	26944	24004	19836	21258	12389	0	19166	9222	9926	31061	36689	9627	39147	19569	10769	12459	6693	11444	13681	16195	0	7400	4054	24243	19818	25070	13943	21673	0	15948	12776	0	14562	15335	19160	14098	6271	7958	21436	12553	12782	21981	22272	40631	47574	11472	21196	0	23355	19873	5470	8447	10029	32670	12513	37046	0	28472	9942	0	17988	14542	Lipid	0.44	1.36	0.08
10	C25 H34 O11 N2	539.2235	539.22455	0.27230483	539.2237	11688	11542	10523	8881	5826	3525	7078	18369	8780	18203	5249	7832	10505	2018	10775	11174	7553	7336	12029	10560	15928	20124	9393	14929	12142	0	8628	5533	14526	15453	16035	15435	14977	10430	23007	13126	16458	8739	8443	14377	8145	5207	0	0	0	11719	7820	0	15640	10335	11757	13349	6081	0	11689	4044	3027	14120	9042	5099	14128	8887	7762	7587	1857	6249	8208	12087	0	4114	2758	12020	8223	13689	7927	11030	0	9610	10416	17213	6083	7717	9016	4486	3882	3535	10077	4960	6656	13174	11119	26568	23604	8860	13382	0	11507	10773	2338	2355	3441	14127	5826	19523	0	11694	2895	0	11606	6613	Lipid	0.44	1.36	0.08
24	C30 H34 O9	539.22754	539.2283	0.1122345	539.2276	77684	72844	71009	75361	84640	49116	25793	50952	86987	151611	136485	30115	112236	56024	52130	52280	29150	68358	103407	169271	157012	73658	62273	58693	40365	249301	22361	125767	39400	33641	40740	34707	54765	38020	198392	36172	53806	37249	38153	119426	99510	35208	0	0	0	80826	64205	0	45806	38686	77570	73758	56964	0	93620	83518	43719	59376	44371	31411	59646	77794	105006	68998	34613	89931	51124	36217	232065	284703	315818	41900	40868	27007	25342	32148	0	38324	85523	51745	62288	47822	35360	97460	97578	57839	78967	40370	44944	48956	55824	63615	80589	65684	78876	0	76699	71096	67402	94725	104607	54431	30402	56249	45937	53234	68265	0	45675	93524	Phytochemical	0.3	1.1333333	0.0
26	C30 H34 O9	539.22754	539.22833	0.10262639	539.2276	31677	32977	31982	31832	31291	19961	5847	20214	41123	61130	54268	15680	62009	22886	14937	22582	11437	42191	45735	76387	66572	28959	25227	27737	19228	124260	8916	46789	20041	17045	16739	11237	20073	16295	81007	19486	23479	20169	16340	52802	52809	18031	0	0	0	35287	36541	0	19741	15178	34536	32004	30009	0	38121	50181	20022	16482	17450	13739	21529	37176	42288	35025	14904	42047	25938	15084	130651	126228	151681	19641	13617	13193	8375	14308	0	14973	32514	26325	32095	22838	15437	40100	56111	24425	38198	16495	19994	24039	19595	19301	33198	30384	31717	0	32180	37408	37880	60819	53256	19996	9647	22191	19283	15737	33024	0	16345	43723	Phytochemical	0.3	1.1333333	0.0
28	C30 H34 O9	539.22754	539.2283	0.10381224	539.2276	10438	7978	8521	9887	13912	3916	3630	6468	12762	16550	15351	2554	22334	8391	4237	6636	5646	11171	12367	14690	15731	9776	5401	5920	4202	39250	5257	16447	3653	3772	3744	3523	4875	4158	21630	4505	5099	3804	4502	11864	16692	3511	0	0	0	6946	7747	0	5726	3141	9743	9096	9017	0	13199	15517	4894	6815	4358	2871	7540	5757	13929	11064	4546	14019	7163	4930	38561	38264	54774	3850	2715	0	0	3909	0	3872	10921	9429	7143	5546	3109	13472	18154	5894	12653	5147	4085	5024	6524	6103	7012	10244	5607	0	10082	10844	7752	19486	21639	4725	2973	7058	6026	6320	8570	0	4573	8671	Phytochemical	0.3	1.1333333	0.0
22	C30 H34 O9	539.22754	539.22833	0.11000799	539.2276	95888	98875	90510	96331	93519	64498	44925	70391	109294	190820	165017	45794	115065	59724	70427	76980	48181	98889	106951	191241	201599	94711	73744	80219	69343	341329	38589	156946	64068	56584	60645	77502	75269	51231	223624	63758	76533	57410	60988	157402	126492	48533	0	0	0	87725	94273	0	67447	54517	109557	102799	73448	336	99627	92903	53303	70452	54840	41429	81449	106464	112694	90609	49760	103135	69054	56748	248515	348890	354870	62836	45611	46908	40332	55791	298	53562	111520	64392	78247	62533	57027	108946	118217	68597	113921	54804	59891	74414	80975	92781	99471	68365	96914	0	98163	96183	88270	108244	102830	74915	46676	71283	63688	63143	84447	0	63189	110069	Phytochemical	0.3	1.1333333	0.0
10	C24 H34 O10 N4	539.23474	539.2356	0.3422431	539.2349	4656	7335	7227	5072	0	1650	2561	5292	1164	0	0	0	0	0	2204	0	2943	0	1666	0	0	7101	2517	4685	4893	0	1430	8501	3801	1683	4580	2901	5700	2848	3168	0	6512	1545	3758	0	0	0	0	0	0	0	0	0	3267	2519	5063	5964	2069	0	1485	0	903	4007	2636	2137	0	0	0	1475	0	0	2386	0	0	0	0	1567	3584	4223	3119	2567	0	2881	1681	13930	0	0	1083	0	0	755	3776	919	0	5870	427784	133739	7111	9853	7262	0	7440	4981	0	0	0	4124	2610	0	0	3080	0	0	4186	0	Peptide	0.41666666	1.4166666	0.16666667
12	C24 H34 O10 N4	539.23474	539.2356	0.38286075	539.235	16982	7647	13073	5979	6642	3358	0	11758	0	6118	0	0	8169	0	6546	15211	3656	0	0	4452	11534	0	8529	6112	14117	6042	0	0	7983	0	4830	8391	15073	5100	0	7202	13826	2350	10695	9556	0	6850	0	0	0	13923	0	0	12206	2996	10799	11733	2859	0	10380	0	3051	4416	0	0	0	7500	0	0	2427	0	3033	0	0	7836	5308	10267	8992	6096	9333	3216	0	6345	3822	0	0	1756	3162	7858	6999	0	12824	0	11905	8400	286527	128454	21277	0	18529	0	3674	0	4002	0	0	0	0	0	0	9826	3447	0	11327	0	Peptide	0.41666666	1.4166666	0.16666667
8	C24 H34 O10 N4	539.23474	539.2359	0.27463847	539.2349	8416	6880	6363	7712	669	2567	0	5439	668	2250	0	1705	2279	0	2525	4229	2811	1429	1862	1708	1625	6686	2176	3610	3485	0	1341	12635	3405	2119	2711	3486	4720	3369	2350	4601	4900	2166	1626	0	686	965	0	0	0	0	0	0	4619	2872	7611	7304	1385	0	2018	502	727	3992	2174	0	5194	1349	910	1534	0	1358	1909	2287	0	0	0	2868	2773	2884	1223	3416	0	1905	1980	26848	1788	911	1795	0	0	0	1969	2150	1486	6291	523572	196066	9413	11898	9620	0	6330	9389	0	853	0	3234	1150	5230	0	2907	0	0	2677	1234	Peptide	0.41666666	1.4166666	0.16666667
4	C24 H34 O10 N4	539.23474	539.236	0.4225656	539.235	603	878	555	1284	0	464	390	1372	0	0	0	614	487	0	737	1137	0	0	333	0	0	1759	946	1083	978	0	0	0	867	1226	937	1338	1512	1059	0	996	1154	590	1083	0	415	0	0	0	0	0	0	0	1970	789	752	1490	321	0	395	0	410	934	518	514	1458	0	0	458	1006	0	0	1616	0	0	0	876	589	1523	0	0	0	1007	1034	0	525	410	412	0	0	370	0	0	504	1105	23241	5972	2376	0	0	0	650	1085	0	0	0	925	791	0	0	984	0	0	729	334	Peptide	0.41666666	1.4166666	0.16666667
6	C24 H34 O10 N4	539.23474	539.2359	0.27053437	539.2349	4954	4679	4222	5908	910	3651	1278	3285	974	0	790	2112	1532	1007	1617	4744	2156	1618	1684	1341	1803	5898	2060	4181	2922	0	1540	8385	4191	2972	3524	3021	4655	2248	1188	3616	4045	1483	2401	1532	1888	1834	0	0	0	1560	0	0	3119	1628	5079	6584	1008	0	967	0	797	4323	1189	0	3299	0	0	0	0	2307	1737	3042	0	0	0	2544	2648	3661	0	2105	0	1927	0	17680	1558	0	1105	0	1217	1175	1843	1275	1807	4566	248725	92681	7016	7830	4936	0	3783	5805	0	644	0	3410	1729	3089	0	2366	547	0	2455	2486	Peptide	0.41666666	1.4166666	0.16666667
8	C29 H34 O8 N2	539.2388	539.2393	-0.51443917	539.2385	8416	6880	6363	7712	669	2567	0	6800	668	2250	0	1705	2279	0	2525	4229	2811	1429	1862	1708	2640	6686	2176	3610	3485	667	2145	12635	3405	2119	2711	3486	4720	3369	2350	4601	4900	2166	1626	1493	686	965	0	0	0	0	0	0	4619	2872	7611	7304	1385	0	2018	502	727	5173	2174	0	5194	1349	910	1534	0	1358	1909	2287	0	0	0	2868	2773	2884	1223	3416	0	1905	1980	26848	1788	911	1795	0	0	0	1969	2150	1486	6291	523572	196066	9413	11898	9620	0	6330	9389	0	853	0	3234	1150	5230	0	2907	0	0	2677	1234	Phytochemical	0.27586207	1.1724138	0.06896552
22	C27 H38 O11	539.2487	539.24945	0.12811361	539.2488	96312	100329	92401	108663	66489	75356	59543	129720	114158	222379	80364	57659	115501	45884	117193	77798	35951	147008	138787	197742	122115	129439	91779	101787	119546	55748	50144	66803	136242	98697	115082	129215	131460	101774	270351	125601	168644	87192	39181	109096	30471	62198	0	0	0	104113	37438	0	113455	94465	110029	99349	67680	0	168480	71183	49780	103597	131383	30765	91292	84239	128874	95547	40262	90522	73896	37459	46937	143744	53719	110030	99646	120586	47493	94234	0	109334	72725	37280	78192	55320	84209	51907	73179	56053	73501	42514	70991	45056	124628	163319	146650	46135	94218	0	96474	97063	65547	58997	59623	109065	74057	122122	56402	93998	54961	0	67595	143131	Lipid	0.4074074	1.4074074	0.0
26	C27 H38 O11	539.2487	539.24945	0.1656105	539.2488	7999	6209	10866	8494	8119	3916	3878	8080	7273	22777	7077	5376	12661	4171	9709	7260	0	5522	15417	18741	10401	7830	0	7360	6483	0	3693	6273	6754	6301	9949	6726	9901	6631	20541	6305	12304	6050	0	12694	0	0	0	0	0	8630	0	0	11672	0	9719	8585	6287	0	11727	6944	4201	12485	10399	0	9007	7356	12334	9957	3081	7805	5844	4560	0	14876	9348	7149	9694	11448	0	5650	0	4476	6530	0	4829	5078	7071	0	4914	0	5488	4559	5622	4910	9260	13768	10319	0	0	0	11825	8454	5373	5992	6755	7945	4455	8678	0	7873	4186	0	3384	11260	Lipid	0.4074074	1.4074074	0.0
20	C27 H38 O11	539.2487	539.24945	0.10705746	539.2487	110745	132143	128223	109799	84529	73125	83106	135137	101780	220069	93583	65087	134579	48113	124181	119469	61585	106137	131049	196418	141584	137627	108758	132448	121929	65423	67686	96968	152534	127334	117516	133220	154658	101088	243398	125570	161709	98383	60881	126794	56062	73106	1716	0	0	118906	58148	0	140426	111387	117693	118106	72462	0	166035	75544	56077	135039	135303	49156	111011	84857	123705	104977	57569	100447	74018	80194	56510	133769	86682	111197	115919	133847	77363	118814	0	97634	111656	45672	91753	61349	95588	93295	81008	65560	95913	55839	71075	71999	136455	149968	151147	66328	82654	0	123693	114886	69134	61284	70400	143332	81173	131463	64174	113334	72223	0	82058	136752	Lipid	0.4074074	1.4074074	0.0
24	C27 H38 O11	539.2487	539.24945	0.11973839	539.2488	41274	41102	44453	39972	27028	36165	17707	41770	39118	98033	21824	16789	60702	16952	42611	23844	13126	59919	61818	82771	59368	43953	35940	45608	48801	19238	13856	25213	55214	36007	42596	49688	60790	32739	118523	41863	69700	34136	13201	45788	12361	17032	0	0	0	41143	14626	0	42641	32866	38239	38246	25709	0	72220	27155	15286	34919	52577	10679	38894	27841	59590	38218	14551	44525	27058	13499	16659	70731	25267	38830	33401	42525	14395	37448	0	35561	28395	9469	29953	25608	27393	23770	30647	21346	29705	15980	25664	15177	40475	60969	61507	19269	32898	0	47145	40463	22254	23084	20998	49349	22119	47435	23951	34939	20870	0	22832	58964	Lipid	0.4074074	1.4074074	0.0
24	C31 H38 O8	539.2639	539.26465	0.10002076	539.264	118585	112804	101237	106916	99298	64940	59582	105112	110231	142959	167705	60901	112898	72793	84112	122207	73584	88150	151129	205211	194049	106992	95803	113396	92155	303174	56632	158548	86631	79774	83364	86748	116665	74618	190796	98536	116029	70939	78719	144662	132282	70462	2186	0	0	92766	84089	0	98813	80725	114803	108587	83814	0	121693	103164	64320	113135	84641	65259	112321	107133	110351	92867	59293	98684	95152	96219	267172	325045	317427	72551	71955	78894	54639	82205	0	70762	123958	67615	100193	61761	69375	128782	117951	69033	134558	59381	79809	97299	114892	114219	152972	92910	101505	0	108185	117612	77584	113487	118658	118629	65616	121995	60215	100156	87556	0	87254	101992	Phytochemical	0.2580645	1.2258065	0.0
28	C31 H38 O8	539.2639	539.2647	0.07113384	539.264	12428	13267	12289	13726	14864	7197	6609	11468	15090	14377	15269	4604	23887	9794	7426	10820	9290	6873	14951	22847	16690	17497	8820	13194	10468	41544	5702	18074	7983	8060	7971	8012	13521	9467	16326	10938	12146	5821	6778	15624	18321	6107	0	0	0	11310	7357	0	7410	11085	11848	8881	11461	0	19959	18715	7107	11157	8644	4209	11839	8524	14511	13720	4768	17004	9080	10365	43575	36950	47894	5973	7151	7793	4754	6905	0	5601	19693	11303	12417	6433	6021	14263	19200	10116	20035	6861	6295	8209	9978	10617	13007	19564	11237	0	12244	11428	10920	27710	29771	10940	4390	10609	6535	12137	11723	0	6603	10091	Phytochemical	0.2580645	1.2258065	0.0
26	C31 H38 O8	539.2639	539.2647	0.1042423	539.264	64225	65381	59050	58513	57119	34429	24272	60239	62115	76185	94050	36816	85591	42548	57939	70899	45432	60266	81311	131374	118071	60581	53490	70791	62219	186465	24656	93193	55583	53400	53628	45089	62910	46261	97658	60304	69624	36666	40061	91854	78925	44684	0	0	0	70194	45957	0	52924	50565	62268	63825	52695	0	75569	90584	33800	60144	50091	33174	68787	59903	62742	54715	29191	60109	58552	41743	188093	178672	182344	52834	42258	47299	32215	48260	0	36752	74560	51101	52920	39343	47507	73734	92650	47396	82100	40980	42283	46219	58969	55497	83107	49650	53744	0	56115	74371	49971	85329	101087	69808	30343	65124	36132	48556	65841	0	48932	58992	Phytochemical	0.2580645	1.2258065	0.0
20	C31 H38 O8	539.2639	539.2647	0.106505	539.264	43255	50261	42218	50654	33285	19931	40455	47257	36436	46433	48559	32249	28253	22457	46438	52485	59513	21073	43591	67359	55579	42331	39037	47048	40734	90820	39428	38624	39093	43114	31743	42697	52181	24687	52259	40672	46676	36308	56742	45273	56852	22588	555	0	0	26203	30103	0	42078	41745	41271	45093	30415	0	39978	28972	26148	55553	31680	41283	44698	27365	33121	22518	23136	20847	27542	66954	63259	79068	99841	26830	28357	37844	48556	41877	0	33659	65917	27689	47174	20215	43134	43959	37886	33245	68277	23195	25741	74981	49178	47396	57284	31709	33389	0	37761	39489	28192	39735	40781	49494	29984	47881	21573	38706	35034	0	45219	29751	Phytochemical	0.2580645	1.2258065	0.0
16	C31 H38 O8	539.2639	539.2648	0.086921275	539.264	7824	5401	2139	7517	1321	1745	8788	9081	2344	2242	1994	4675	0	0	10535	14073	9788	3199	5587	8788	5770	9391	6885	9599	10183	1521	6054	3452	10496	7735	10293	7855	15053	7445	5787	13608	7974	7308	13644	2867	4854	3714	0	0	0	7020	4636	0	9566	9664	10324	10988	3888	0	2394	1756	2235	8622	3427	8324	0	2865	0	3245	2364	1569	0	12442	0	2777	3530	4389	5679	5713	7309	9540	0	6245	9495	0	4412	3655	9978	4742	2281	3070	11295	3315	3744	0	42550	26558	0	4424	2652	0	7595	7050	2732	0	1981	10211	6158	6654	0	0	2999	0	9638	1922	Phytochemical	0.2580645	1.2258065	0.0
22	C31 H38 O8	539.2639	539.2647	0.09485682	539.264	108920	92371	80581	93982	65952	55137	60908	93134	82431	109842	107712	56876	67399	47671	76574	100341	90656	70081	98746	164497	135434	90194	81095	100127	80128	232774	55227	113772	74693	75792	76185	81387	100525	62779	123506	81693	94425	74284	97631	110196	113607	55398	0	0	0	70073	75730	0	88739	72312	83206	90172	66974	0	103708	81164	53373	103578	70948	67582	100140	75516	86745	63492	49429	72356	57487	103276	183321	215838	254281	60116	57271	63378	72217	77052	0	60945	118056	66913	93517	52281	71127	85355	91620	59928	119168	56751	67704	106908	106539	106768	114531	73131	82728	0	84244	84481	77237	102915	79046	104646	60282	85508	56717	91519	70304	0	92895	71812	Phytochemical	0.2580645	1.2258065	0.0
8	C25 H38 O9 N4	539.2712	539.2721	0.33408058	539.27136	2203	1578	1109	1530	0	5952	0	0	0	0	0	1005	0	0	784	0	0	818	0	0	0	0	0	0	1141	0	0	12015	1008	0	1255	0	1068	1274	0	0	1945	636	0	0	0	649	0	0	0	0	0	0	1213	927	1029	2439	0	0	0	0	0	2191	0	0	0	0	0	0	0	0	0	0	0	0	0	1250	0	0	0	0	0	0	0	7265	719	0	0	0	0	0	0	0	0	0	133638	60298	0	0	0	0	1173	1109	0	0	0	0	0	0	0	1054	0	0	1267	0	Peptide	0.36	1.52	0.16
18	C28 H42 O10	539.2851	539.2859	0.1274781	539.28516	118249	121884	116670	104075	61744	51734	128479	218553	109790	75301	67228	119208	91951	60801	156357	164134	291696	137260	140094	203162	168158	95943	150218	223260	117333	169867	130438	122060	203543	178071	148017	223371	211573	159228	126445	189726	274958	118325	142607	103147	71742	75048	1850	0	0	103835	104458	0	201013	192098	133343	129871	80250	1065	109483	89361	76085	148599	111949	94715	185909	65556	75729	99862	66683	88515	77107	135715	138706	139881	137124	204787	130092	192973	187610	141724	0	113841	182761	40668	129718	77328	128559	60965	111674	79491	163867	62137	88045	144674	170187	177780	221029	72832	66643	0	211097	131028	77326	95736	97190	201930	128114	156029	63009	114793	91049	0	149178	78663	Lipid	0.35714287	1.5	0.0
20	C28 H42 O10	539.2851	539.2858	0.09836865	539.28516	29945	27207	29037	25791	19192	15019	38013	32710	23957	25072	14846	22234	22447	11314	32859	39121	31349	23105	32869	24510	19557	19025	25438	29287	28999	11590	30802	19571	38255	34575	32322	36434	43025	31432	32873	39402	41528	28019	34917	13334	12563	15690	0	0	0	19560	7361	0	42537	27575	28030	24650	13803	0	47545	25808	15244	40609	27519	18546	27912	9812	30945	24096	15997	21470	22449	34242	7885	12877	13835	29154	34447	35941	32888	30965	0	23757	33211	13336	23156	11566	32670	13333	33302	16915	33463	16765	18038	25232	35839	37483	33467	5416	14804	0	31613	28003	15840	27075	31801	49769	21825	39048	11565	25350	25091	0	22293	29601	Lipid	0.35714287	1.5	0.0
26	C28 H42 O10	539.2851	539.2858	0.095884405	539.2851	13519	10802	9568	13615	7899	9638	11026	16094	11889	20846	6564	4321	21018	7714	13009	7932	5756	11828	21567	21553	18150	14693	10050	14814	14458	5103	6384	8643	18264	10250	15298	16998	20949	12264	32967	15309	29721	9997	6724	11880	3470	9143	0	0	0	10235	0	0	14339	9091	13522	12473	11477	0	27344	16590	4277	13382	18246	4225	14308	3406	17001	17122	4320	13412	11841	8662	0	16836	4393	13717	14062	17865	6408	13811	0	9763	9580	0	5096	3191	10492	6237	8872	0	9585	4635	9294	5645	23044	27560	17343	4148	9382	0	13213	10739	7658	9687	9240	15747	6357	9574	8396	12600	8874	0	4242	16376	Lipid	0.35714287	1.5	0.0
12	C28 H42 O10	539.2851	539.2859	0.028676106	539.2851	0	0	1489	0	0	0	0	0	0	0	0	952	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1209	0	0	0	1156	0	0	1620	0	0	0	0	0	0	0	0	0	1557	1034	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2217	0	0	0	934	0	22661	0	0	0	0	0	0	0	0	0	0	7424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.35714287	1.5	0.0
22	C28 H42 O10	539.2851	539.28577	0.038827665	539.2851	47441	44155	44975	50773	37755	26385	46524	53702	52319	59140	26318	29556	42668	18900	51448	48995	33835	50762	59125	53134	45594	38571	43442	48634	48767	17070	39055	31602	62155	51479	54281	56907	71603	47473	74809	52267	69484	41943	33710	33562	19069	29596	0	0	0	30763	14790	0	61748	41861	47659	45465	30429	0	80141	41553	27329	54345	49410	14995	51884	21895	53387	46923	27325	40606	33506	32480	13662	39559	18767	40055	45858	54659	33827	44016	0	37552	44802	16881	31796	18525	61460	30353	40838	33612	40071	22037	34759	21604	60188	70153	65340	17753	30282	0	44566	52328	27760	48930	46839	56602	35152	57891	26359	53930	42996	0	31408	57837	Lipid	0.35714287	1.5	0.0
24	C28 H42 O10	539.2851	539.28577	0.023754783	539.2851	40912	34045	33242	39868	32508	27300	31924	45360	41634	59249	24444	16817	50256	23392	45897	32978	14824	51635	71797	63135	45175	39475	30666	42364	43300	13628	22489	31038	54770	39023	41806	41138	60516	42273	87548	52787	74316	27749	18625	39740	12206	23946	0	0	0	33100	9215	0	44862	33096	41601	36981	28539	0	77685	36082	18627	41025	48242	11123	43530	24727	46740	42952	17638	33756	30529	16718	11547	51579	15439	38842	43320	44064	18200	36667	0	31996	35551	13391	29493	16298	39924	26087	28656	28649	35593	23386	33461	19544	57209	69991	62024	16048	28498	0	30542	36193	18482	29839	32774	51138	21387	44994	20678	36647	22460	0	24138	57553	Lipid	0.35714287	1.5	0.0
14	C23 H47 O10 S1 Na1	539.286	539.28705	0.2765809	539.2862	1598	0	0	0	0	0	0	1365	0	0	0	0	0	0	0	0	3776	0	0	0	0	0	0	0	1884	0	2164	9373	1812	1679	1727	0	0	0	0	2651	0	1351	2230	0	0	0	0	0	0	0	0	0	1875	1559	1662	0	0	0	1506	0	0	0	0	0	0	0	0	0	0	0	0	1946	0	0	0	1172	0	4394	3650	0	0	0	1854	51664	1019	0	0	0	0	0	3807	0	1573	0	57319	3139	0	0	0	0	0	0	0	1434	0	0	0	1857	0	0	0	0	1163	0	Organosulfur	0.4347826	2.0434783	0.0
28	C32 H42 O7	539.30035	539.3011	0.09426148	539.30035	19214	15463	15953	15180	14707	6646	16004	16619	15113	12202	17876	6931	16659	15154	14736	17401	21892	9836	18049	20892	14006	12805	11244	15325	21653	42204	23634	20895	24301	16182	18254	15764	32098	11607	18359	19652	34620	13503	22906	15199	15424	16619	0	0	0	10851	8946	0	14287	12208	13840	14178	11535	0	16221	25202	8510	21688	15504	8044	18307	11920	11523	15400	8539	19079	13790	31198	32397	26676	33409	10245	18094	18154	6823	17676	0	10089	23071	14673	11001	8698	20991	19661	21586	11503	24460	7224	9343	17596	14256	18454	18194	12560	7381	0	17050	14428	12212	35774	43843	29036	10465	20247	7423	17228	15483	0	14566	10935	Phytochemical	0.21875	1.3125	0.0
20	C32 H42 O7	539.30035	539.3011	0.10425755	539.3004	8857	7572	7401	5547	0	1688	13516	9653	3652	0	3873	8088	0	5289	6769	8268	29136	0	5922	5011	5482	2452	5677	6749	5058	8732	12990	3213	7597	10454	8430	9213	12741	6156	3992	8319	9294	8672	25022	4281	6332	3470	0	0	0	3104	6231	0	9215	8951	8984	10555	4781	0	6483	6649	3920	8382	4579	11442	7134	3169	3365	4255	4802	3178	1774	31278	6848	8884	11448	2369	3255	11614	23312	8668	0	8235	10260	4694	7998	1293	11224	0	8476	5709	15950	5064	2986	19568	8122	7002	7364	5620	5209	0	8853	4485	5820	12158	10677	9328	5338	10587	2137	6317	6771	0	16041	2978	Phytochemical	0.21875	1.3125	0.0
26	C32 H42 O7	539.30035	539.3011	0.08105763	539.30035	63643	54433	59264	58169	53688	38129	37637	66691	61976	51927	89859	34375	52732	48519	65193	91340	88133	51088	82056	93413	82977	52057	50804	70572	70184	164922	46058	89364	75831	76392	59175	67533	76690	53042	68897	82431	84658	45545	73409	72742	68686	46105	0	0	0	53781	46542	0	64270	67995	67931	57566	46220	0	77288	77498	43811	70530	54113	39972	69653	50630	51997	51251	32349	52393	62369	82478	147877	108894	117566	46493	52179	71354	53391	66376	0	45029	79474	62817	54207	44007	64376	68162	85068	55612	83638	32804	46657	64973	60738	64264	87814	50962	48901	0	61956	64842	42826	101640	103654	108410	36307	85190	38566	58258	60666	0	61680	41502	Phytochemical	0.21875	1.3125	0.0
22	C32 H42 O7	539.30035	539.3011	0.070214406	539.30035	30869	29701	25710	31894	17117	14831	32836	36010	22553	16878	33151	29511	15896	18499	28361	46090	66795	14221	27508	29562	29643	26192	31697	27327	30950	46984	38864	28795	26042	33299	23885	31376	40090	21738	25900	35770	31921	24730	67284	23314	38361	21046	0	0	0	13325	16743	0	35085	28320	29860	27256	19703	0	31779	25224	22717	35649	19597	39499	29773	17613	15806	16859	21127	19107	19035	78370	29313	36236	52866	14377	24149	29882	40142	27394	0	20208	43511	22312	31748	14045	27694	23385	30010	26640	43221	18060	20444	56613	33020	33737	36076	19219	19107	0	25743	27274	17795	37904	42797	49015	24811	27902	11356	34017	23858	0	34860	14156	Phytochemical	0.21875	1.3125	0.0
24	C32 H42 O7	539.30035	539.301	0.06291994	539.30035	62470	63955	63223	56346	41087	25436	54084	60851	52178	43883	94318	46383	45659	35018	51544	93466	92375	35819	72843	86491	61030	52134	53215	63445	56964	135420	52728	80130	60889	58026	54673	67570	79109	47776	70579	70927	81987	49945	99276	63584	77638	38241	0	0	0	39498	40636	0	59441	56897	66638	62491	42447	0	69083	67017	35612	73929	47966	46939	68562	47397	50472	50476	34228	41370	46174	107897	96241	106699	136768	37797	47699	57226	69411	62000	0	41555	80792	43463	56195	37932	57439	56183	66063	54431	80369	36649	47054	89823	56827	58061	75540	45820	41857	0	62517	65359	41250	75031	87175	97423	42911	78267	36544	63384	51517	0	64165	41283	Phytochemical	0.21875	1.3125	0.0
14	C29 H46 O7 S1	539.3037	539.305	0.16064121	539.3038	2196	4696	3789	2652	0	0	0	0	0	69863	41550	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1554	0	0	0	0	1896	0	0	0	0	6340	3463	0	0	0	0	1468	0	0	0	0	3297	2250	0	356	0	0	0	0	322450	0	0	54605	0	0	0	0	0	0	0	0	0	0	0	0	1318	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8867	0	0	2252	0	0	0	0	0	0	8220	141684	0	0	0	0	0	Organosulfur	0.2413793	1.5862069	0.0
24	C29 H46 O9	539.3215	539.3222	0.0920382	539.32153	10392	8022	13177	9780	9449	3017	29766	14615	8844	2132	3993	5369	4195	8717	10606	13866	10960	10203	17619	3423	2099	4486	5816	7767	8993	1530	24771	6196	12628	15083	10359	16267	17381	10039	7138	17302	15091	6699	13013	1632	1913	7101	0	0	0	3955	2993	0	11174	9394	7306	10768	7424	0	18533	9605	5086	13870	7282	4483	9816	2320	8447	10566	5674	9071	9725	10965	1315	3175	3412	9832	9941	13908	7247	13695	0	8582	8827	5830	6295	3817	25580	10633	7606	5930	8761	5533	7009	5299	16640	19233	10383	2219	2630	0	12105	9218	5843	9756	9096	18352	6377	8953	5664	10394	7437	0	9729	6759	Lipid	0.31034482	1.5862069	0.0
26	C29 H46 O9	539.3215	539.32214	0.099794015	539.32153	6460	7436	6559	8483	2781	4820	27967	6328	8337	3409	3626	0	5389	7475	8342	9058	0	9174	10225	6033	0	7241	6111	6073	9332	0	17710	6104	16260	8069	11286	9587	17323	10356	8340	11443	17810	5242	7052	5025	0	0	0	0	0	0	0	0	10807	6123	7787	6877	6873	0	14385	8202	4915	11232	10611	0	10216	3657	7372	7186	4528	10833	9082	4564	0	3012	0	7448	9245	11491	0	11917	0	6492	5108	0	4022	2986	16902	6887	0	0	8162	3060	7776	9271	19023	19936	8686	3517	0	0	8728	5704	0	6898	7759	17494	0	11611	11350	9457	5416	0	3728	6133	Lipid	0.31034482	1.5862069	0.0
24	C33 H46 O6	539.33673	539.33746	0.09297652	539.3368	9701	8629	8354	11243	4063	2607	18207	10497	9291	3285	7983	6639	3115	5845	10047	15222	28832	3131	10455	2366	2772	4727	9049	6812	13221	7434	16400	6007	6735	13151	8104	13328	12376	5839	3541	16709	6439	11029	32211	4490	7507	7821	0	0	0	2755	5452	0	11601	12807	10559	9730	3871	0	13101	15150	9458	14279	5379	9276	10976	1898	5231	6947	6164	5206	7898	37556	6612	4914	5346	2566	6390	13716	16012	12182	0	8400	20714	7760	11955	2564	9826	4206	15915	8486	22188	4555	7298	36325	19183	12739	10332	4355	4212	0	11030	9529	7815	24271	30587	15561	7377	9936	3710	9916	12205	0	19988	3915	Lipid	0.18181819	1.3939394	0.0
26	C33 H46 O6	539.33673	539.33746	0.047387917	539.33673	16475	23496	17513	15984	10513	7282	24793	22390	17353	4387	16470	10799	10651	13206	20851	34277	42010	5934	23545	16245	10517	10345	11588	16868	27616	28885	25374	22219	14980	37207	15475	19700	27596	13305	6125	32526	23061	22246	37824	12961	17824	10726	0	0	0	8959	9561	0	21942	28685	24990	19017	14382	0	23012	36869	16423	27084	13776	18734	19767	11555	10006	16231	9180	14281	17467	49498	20107	14213	17601	7406	16061	22997	24387	23547	0	13680	33526	17257	19278	11031	20730	13594	41805	22156	41933	10882	16106	39076	17371	20613	22986	14216	0	0	18509	18303	14838	51865	55868	38713	14572	24415	8928	20565	22824	0	25230	7380	Lipid	0.18181819	1.3939394	0.0
28	C33 H46 O6	539.33673	539.33746	0.087884955	539.3368	7188	8238	9303	6981	5607	2611	14386	12171	6913	2085	7814	5826	5452	5051	7462	9662	13159	0	10375	6583	3738	4389	8734	8344	13404	16155	13542	11898	11057	12634	8576	9934	11611	5791	3229	15488	11381	8755	12046	5346	4142	4978	0	0	0	5434	0	0	9158	10396	9358	6841	5546	0	13459	21593	6414	11925	7057	5533	10310	4848	3739	7170	4864	6512	8365	14558	8382	5123	5078	3115	6107	14552	4025	9672	0	5521	15375	10222	6007	4734	10091	6509	18820	7163	25722	3456	5071	15975	9336	7598	10578	5959	0	0	7777	7620	7565	29944	36502	21523	6217	8159	4438	9408	11261	0	9285	2996	Lipid	0.18181819	1.3939394	0.0
28	C30 H50 O8	539.35785	539.3581	0.09166546	539.3579	0	0	0	2340	0	0	26600	0	0	0	0	1324	0	0	0	0	0	0	0	0	0	1776	0	0	0	0	18456	0	15816	10382	5978	6530	2470	6638	0	5456	0	0	4004	0	0	0	0	0	0	0	0	0	12348	0	1920	2886	0	0	0	0	0	4188	4114	3150	4718	0	0	0	3920	0	0	3608	0	1570	0	12576	7804	7144	0	4002	0	5076	0	0	0	0	5306	0	0	0	2308	0	0	2564	5006	0	0	0	0	0	0	0	973	0	0	0	3896	18504	5482	0	0	0	0	0	Lipid	0.26666668	1.6666666	0.0
26	C30 H50 O8	539.35785	539.35785	-0.003410121	539.35785	2232	0	0	0	0	0	37721	0	0	0	0	0	0	3273	0	0	0	0	0	0	0	0	0	0	0	0	31239	2347	0	0	2490	0	2397	2276	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5145	0	0	0	0	0	0	0	0	1635	0	0	0	0	0	0	8002	0	0	5828	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7608	3354	0	0	1762	0	0	4004	6730	3967	0	0	0	0	0	0	0	0	7893	0	0	0	0	1569	0	0	0	0	Lipid	0.26666668	1.6666666	0.0
26	C31 H54 O7	539.3942	539.3945	-0.032232273	539.3942	0	0	0	0	0	0	11190	0	0	0	0	0	0	0	0	0	23317	0	0	0	0	0	0	0	0	0	7681	0	0	0	0	0	0	0	0	0	4149	0	29079	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14844	0	0	0	0	0	0	6137	0	0	0	0	0	0	0	0	0	0	0	2272	0	0	4714	2530	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.22580644	1.7419355	0.0
22	C22 H21 O15 N1	540.0984	540.0993	0.20108856	540.0985	4385	3641	4620	3652	11609	4328	0	0	11184	5615	4175	2065	26566	0	2578	2136	0	12701	7054	0	4389	10984	3067	0	0	1796	0	1340	0	0	0	0	1447	0	5046	0	1527	1455	1276	0	4895	4101	0	0	327	17744	46843	0	0	0	4281	4563	5133	233	18604	16463	5155	0	1568	0	0	4525	20287	12106	4621	9933	5061	0	2734	0	0	0	0	0	1028	0	516	996	3324	11524	1787	20853	0	0	16463	4213	2224	2036	2727	1453	0	0	2552	16176	10460	0	4892	4633	14382	11481	14871	0	0	0	37219	0	13021	0	1108	18506	Phytochemical	0.6818182	0.95454544	0.045454547
18	C22 H21 O15 N1	540.0984	540.0994	0.30614397	540.0986	7351	3499	9059	5642	16750	8393	0	1930	18378	4046	7101	2527	62928	8515	4516	0	1444	17014	23066	4795	12876	26485	7980	2150	1432	0	0	0	0	0	0	0	4885	0	4608	0	2570	1639	0	4528	8147	5615	983	0	0	21347	61622	591	0	1849	3775	10853	11155	0	27270	33350	6841	0	2303	2458	0	10348	33070	18078	9626	25456	10209	2452	2737	0	1917	0	0	0	2514	0	0	2403	8016	26068	3089	24028	1861	1466	35617	6266	2352	5964	8775	1947	0	0	3256	33218	13363	0	11573	12245	26908	20575	29122	3787	1705	1656	47884	1688	21293	0	1614	34481	Phytochemical	0.6818182	0.95454544	0.045454547
24	C22 H21 O15 N1	540.0984	540.0993	0.27825508	540.0986	2475	3322	4467	5488	6457	6002	1193	0	10368	3553	0	880	20346	2326	1999	0	0	11831	6957	2183	8231	9757	2007	0	0	0	0	0	0	0	0	0	0	0	3584	0	1335	1294	0	3396	6090	3041	0	0	0	11142	37289	0	0	0	3486	3023	3774	0	14509	13317	0	0	0	1818	0	3496	14694	8691	3187	7936	2822	0	0	0	1781	0	914	0	0	0	0	949	1405	9060	1760	16822	0	0	8883	0	1566	2328	2641	0	0	0	1572	9096	9834	0	3420	5911	8294	4686	9210	0	0	0	26230	2203	8043	0	0	20705	Phytochemical	0.6818182	0.95454544	0.045454547
14	C22 H21 O15 N1	540.0984	540.0994	0.25630113	540.0985	5700	3122	2888	6394	15146	1935	0	0	19860	3010	0	1258	31054	3647	0	0	1697	13656	13013	4520	10378	15630	5149	0	0	0	0	0	0	1267	0	0	0	0	4817	0	2017	1185	1700	3587	10572	4347	0	0	0	13674	44373	0	0	0	0	3666	9196	0	14233	20483	3649	0	0	0	0	6796	33778	22086	8028	17783	4638	1660	0	0	1497	0	0	0	1536	0	0	920	4849	19535	2826	11622	0	1053	25920	5160	4365	4268	2445	3570	0	0	2743	26447	8548	0	2160	4937	15959	20410	25306	2536	1078	0	44901	0	17810	0	0	23074	Phytochemical	0.6818182	0.95454544	0.045454547
28	C22 H21 O15 N1	540.0984	540.0993	0.19801643	540.0985	4317	4213	4236	3879	7711	4564	0	0	7746	4931	3740	1402	16634	2262	0	0	0	13601	7340	6277	8673	9917	2853	0	0	0	0	0	0	0	0	0	0	0	9260	0	1133	1328	0	2733	4645	0	0	0	0	12981	34467	0	0	0	5093	4633	4977	0	13601	8858	2031	919	1093	0	0	5380	17634	10138	2598	8987	2158	0	0	2045	3009	0	0	0	0	0	0	0	2005	8773	2791	16146	0	0	10808	4110	957	0	1772	0	0	1505	2261	10809	8975	0	5224	6385	5256	7814	7793	0	0	0	29474	1708	6039	0	0	18404	Phytochemical	0.6818182	0.95454544	0.045454547
16	C22 H21 O15 N1	540.0984	540.0994	0.275902	540.0986	11722	18452	15206	14568	36172	14274	0	0	50488	7392	9312	5718	93796	11846	0	4398	6522	37182	45458	8726	15982	48792	16112	6856	0	0	4596	0	0	0	0	0	5884	0	0	0	0	5390	4556	8828	21134	13380	1450	0	0	34268	119434	0	0	3230	13686	17854	26022	0	39514	66256	16634	3348	0	0	0	17206	84960	49794	16518	37154	17274	3316	0	0	0	0	0	0	5124	0	0	3110	9634	45668	13990	44876	2626	2654	77472	14682	9018	21544	13636	0	0	7764	0	78229	31660	0	17618	20042	43330	54050	64542	7486	0	4050	81986	0	44090	0	0	79632	Phytochemical	0.6818182	0.95454544	0.045454547
26	C22 H21 O15 N1	540.0984	540.0994	0.21367618	540.0985	7061	2837	0	3986	8876	5498	0	0	10967	5513	0	0	18453	0	0	0	0	13546	7969	0	6286	12215	0	0	0	0	0	0	0	0	0	0	0	0	5988	0	0	0	0	2565	4213	0	0	0	0	8260	40050	0	0	0	3885	5689	5074	0	13312	8922	0	0	0	0	0	6170	14616	10291	0	5216	3209	0	0	0	0	0	0	0	0	0	0	0	0	7474	0	17032	0	0	12840	0	1797	0	0	0	0	0	0	11174	0	0	3916	7630	5810	5963	8071	0	0	0	30933	0	6209	0	0	17804	Phytochemical	0.6818182	0.95454544	0.045454547
12	C22 H21 O15 N1	540.0984	540.0994	0.24410008	540.0985	1959	2938	2798	2092	7757	1173	0	0	9682	1726	0	1011	15335	1733	0	0	0	4629	11801	0	6673	10764	0	0	0	0	0	0	0	0	0	0	0	0	3637	0	0	0	0	2701	0	2031	0	0	0	8335	25262	0	0	0	3017	2326	2487	0	6947	13220	2546	0	0	0	0	2135	20286	9501	2352	10633	1770	0	0	0	0	0	0	0	0	0	0	0	1735	0	1684	6201	0	0	12162	1704	1628	3093	1684	4251	0	0	0	13226	2868	0	1643	2449	10917	11622	11171	0	0	0	0	1332	11461	0	0	14331	Phytochemical	0.6818182	0.95454544	0.045454547
24	C23 H25 O14 N1	540.13477	540.1357	0.2059065	540.1349	17978	14098	12020	12140	20252	13446	2656	4788	23754	24188	8568	3764	47496	5524	9252	8588	0	34958	15568	25418	31834	25466	8162	5266	2518	4414	0	4468	4760	3380	0	0	4122	1982	21194	0	4338	5172	0	21306	18148	3612	0	0	0	103384	159224	0	3956	3736	7322	8806	13100	0	29342	20934	8358	0	3572	3730	4338	24462	31264	18492	5266	14752	7142	2862	11982	12526	16894	0	2292	2598	0	1810	0	5262	7780	24464	9930	77444	3940	11484	26306	12524	3056	5188	6356	0	3566	10482	8462	27222	33770	0	19002	19320	19034	13504	13132	4800	3988	5700	128460	4520	12504	0	0	35002	Phytochemical	0.6086956	1.0869565	0.04347826
26	C23 H25 O14 N1	540.13477	540.1356	0.1726069	540.1349	6018	4979	6203	3617	5074	6351	0	0	6076	11392	0	0	14515	1949	0	0	0	11490	8038	9146	12920	10391	0	0	0	0	0	0	0	0	0	0	0	0	13396	0	1752	0	0	8962	8129	0	0	0	0	39041	67154	0	0	0	6773	3875	6199	0	7886	6204	5140	1833	0	0	0	10192	10280	7011	2937	6629	3995	0	0	5828	9683	0	0	0	0	0	0	0	2541	5631	0	30500	0	3290	9698	0	2657	0	0	0	0	2271	0	6982	15036	0	4474	6489	4657	4467	0	0	0	0	45499	0	0	0	0	10774	Phytochemical	0.6086956	1.0869565	0.04347826
18	C23 H25 O14 N1	540.13477	540.1356	0.17579655	540.1349	47426	35184	35733	29293	46229	38101	8912	19591	58046	41330	24850	11434	119085	21030	25013	11819	8044	90105	74916	50339	64971	75119	30879	19730	12158	9207	6679	14934	14466	16326	16715	13272	18296	9459	53483	13751	19766	17043	8185	43821	30668	24877	1694	0	0	164339	215475	388	12214	15330	41083	33320	28425	0	90283	48672	25846	9378	21960	10932	15962	51408	79683	47670	26672	54848	29293	7206	22789	16512	16740	13089	11626	10971	14968	7758	285	15139	24815	64115	20201	132172	6686	18232	58217	33668	17243	15372	23725	12589	6836	22236	27850	72557	87464	0	33921	39713	43889	30466	47488	18133	17947	21173	165142	16075	47634	0	11593	69771	Phytochemical	0.6086956	1.0869565	0.04347826
12	C23 H25 O14 N1	540.13477	540.13574	0.2475507	540.1349	27624	24108	22377	23632	25924	14459	11186	24635	34392	40021	30009	14185	55570	10196	13644	13352	17280	43092	48839	38881	65548	61620	20387	15867	4690	4719	7675	0	9352	8665	11191	6214	19562	8616	59448	12346	14478	13210	17446	30879	47577	17392	371	0	0	76619	157557	0	8485	12200	29325	28741	17807	0	51980	36566	15638	11927	14983	16927	16812	38241	64361	37015	12582	31074	16943	13163	19458	7014	15457	9942	10545	14026	16826	9029	0	12168	19429	34075	14736	51367	8416	12693	42068	20409	18434	13135	15392	15147	7464	9917	17818	77699	54354	0	27551	38334	37487	32304	38138	18647	12722	15610	116229	13447	29861	0	8877	57187	Phytochemical	0.6086956	1.0869565	0.04347826
16	C23 H25 O14 N1	540.13477	540.1357	0.21116483	540.1349	35548	40378	45448	43670	58955	43287	12781	25721	81988	50100	28661	15886	108843	20253	28484	19407	15417	98604	96461	78883	86978	103687	37604	30849	13934	9197	9133	14413	18542	15806	15823	16270	19814	14631	79399	17163	29931	19218	17571	47167	49360	27389	1246	0	0	159328	234456	0	18504	24694	46481	41173	39406	0	87766	66029	25766	19527	31756	12481	16884	50897	94908	58529	24607	60719	33512	15295	29939	16830	25418	17841	14137	15362	18068	12577	282	20610	33615	96397	23062	137537	8992	24778	70764	39711	27218	22093	24060	0	11722	26378	37305	100245	103437	0	41410	55068	50784	42495	60856	31028	18883	22181	188575	25087	65129	0	16352	97505	Phytochemical	0.6086956	1.0869565	0.04347826
20	C23 H25 O14 N1	540.13477	540.1356	0.1649828	540.1349	66520	57536	69188	60602	74550	62486	11958	31116	105359	86708	31446	17991	179167	28770	37210	11244	9218	131960	106115	82697	131109	137848	56046	33066	24464	15438	12414	12442	25516	22992	15330	19530	30606	18584	88012	10030	23392	30261	7140	77825	51875	28201	3104	0	0	324028	402332	0	14254	17576	62054	54542	60320	0	145383	93454	38692	10473	44255	13598	23088	83746	124096	82634	42388	79985	48338	9217	33754	20374	43092	25774	17894	11504	10110	14310	1042	24474	33338	106174	35773	241544	19477	27638	89800	49470	36424	19623	30270	12902	30383	47629	40668	133260	139012	0	57299	70612	64781	56104	60167	32330	26545	35812	344817	24368	73775	0	18918	151131	Phytochemical	0.6086956	1.0869565	0.04347826
10	C23 H25 O14 N1	540.13477	540.1358	0.3113477	540.13495	13036	12485	10422	15154	10015	8729	3049	9653	19744	24214	14879	8281	25671	4972	6215	8893	7329	22226	17298	17367	28623	35033	9941	6651	1680	1446	2894	2808	4141	4521	4117	4253	7571	4021	26151	6484	5805	7131	9422	14158	25036	7300	0	0	0	24861	64051	0	5706	7147	10947	15027	10150	0	23278	18354	6811	6715	4894	7239	8650	14147	28406	18278	7655	16010	5582	9265	8906	5260	6705	5450	4424	2878	6741	3995	0	4363	14058	17275	9275	17994	2513	3718	26526	9267	6298	8781	8409	10449	3092	2944	9105	28385	30281	0	10599	17774	13983	17109	18120	10329	6210	6606	41067	4368	18539	0	3745	25621	Phytochemical	0.6086956	1.0869565	0.04347826
28	C23 H25 O14 N1	540.13477	540.13544	0.20311794	540.1349	4797	4860	6883	5341	5866	6922	1451	0	6619	11362	2762	0	14071	1740	0	0	0	11248	6991	13264	17247	9771	2671	0	0	0	0	0	0	0	1251	0	1964	1499	12386	0	2858	1184	1217	9706	7469	0	0	0	0	40179	50893	0	1148	0	7414	6131	4404	0	7040	5424	2015	1977	1981	1696	0	10504	8341	6790	1368	7628	2598	0	5124	6715	8264	2504	0	0	0	1193	0	1320	2954	8109	2144	25145	0	3302	6171	2578	2224	1640	1795	0	2521	4167	2224	9472	10358	0	5946	6541	5986	2706	4056	0	1165	0	35302	2099	5057	0	1795	11894	Phytochemical	0.6086956	1.0869565	0.04347826
22	C23 H25 O14 N1	540.13477	540.1357	0.2395908	540.1349	12077	14932	14519	9771	18626	11613	2245	3226	21765	15265	9332	4552	31842	7359	4684	1763	3069	28854	16770	21887	23473	26528	9121	4219	4484	0	1662	0	2972	3489	2153	0	3119	3542	18200	4466	5521	4234	2093	14898	17289	8525	0	0	443	79757	121393	0	2884	4326	13572	9275	14894	342	25917	16865	8119	1795	3738	3615	3229	21893	25379	18022	8889	14531	5439	2059	11601	9556	11070	4458	2744	3779	2807	1327	0	6135	8940	19784	6557	65976	3947	3905	25208	13137	3959	5007	6180	1848	2652	6282	9217	34396	33701	0	14683	15315	18035	13721	13618	4039	2925	8282	94300	2463	16566	0	2281	32415	Phytochemical	0.6086956	1.0869565	0.04347826
14	C22 H25 O13 N3	540.146	540.147	0.005972708	540.146	9437	10026	6134	8517	6614	6035	3964	5589	9175	20970	6699	4855	21388	2841	5406	3433	3595	11557	17371	9110	7571	21967	8632	4017	5033	2173	2059	0	4707	5936	3900	0	9078	4254	20218	5122	9328	8511	3622	19219	8502	5433	0	0	0	22717	31770	0	6427	6105	6697	8027	4628	0	16932	5680	5421	5251	0	0	0	11860	20885	16402	3288	14286	8019	8579	0	2492	3415	5364	4520	4868	2575	5232	0	5330	8623	0	7377	22646	4715	5217	8524	4497	5060	3677	3361	7242	2671	5194	7823	17942	12683	0	7906	6448	9877	8820	10915	4196	8271	5481	20738	4389	5627	0	2617	18177	Peptide	0.59090906	1.1363636	0.13636364
24	C27 H25 O11 N1	540.15	540.15076	0.071331486	540.1501	7077	4198	3342	4132	5340	4335	0	1594	8886	29469	13435	0	5858	3536	1556	1864	1666	10947	6364	11227	14521	17176	1466	0	1884	12100	1080	5754	1623	0	1180	0	1086	0	25158	0	2005	1089	0	12674	11327	0	0	0	0	15027	19516	0	0	0	5872	5073	4460	0	6801	3775	1439	0	2727	0	2307	7709	10134	5989	0	4919	3536	0	12246	17320	18836	1187	0	0	0	0	0	1569	2521	9862	1979	9311	0	7002	6837	0	4348	2462	1526	0	1812	4291	2010	18396	21568	0	4689	5344	6100	6410	5661	0	0	1321	10818	1296	4351	0	1639	7515	Phytochemical	0.4074074	0.9259259	0.037037037
22	C27 H25 O11 N1	540.15	540.1508	0.09316198	540.1501	9053	7991	10379	9197	11804	4597	1073	1665	12884	53309	22848	0	11375	12983	0	2518	0	12702	9343	26388	23372	24760	3439	4067	3508	28532	2892	19831	1200	1165	1092	0	2130	0	64782	1105	2395	0	1726	23165	24120	4355	0	0	0	20065	27764	0	2079	0	6643	10611	4220	0	16007	12701	6712	2289	3113	0	3075	19955	20101	10229	0	11003	8035	2344	22560	26350	25718	1462	1247	0	0	0	0	1480	6032	16600	5166	14278	2204	14163	9774	7229	5363	4564	3619	2349	9096	9219	6223	24572	45371	0	6765	7846	6874	7299	10584	0	1712	2454	22856	3685	8722	0	2149	13611	Phytochemical	0.4074074	0.9259259	0.037037037
18	C27 H25 O11 N1	540.15	540.1509	0.14626442	540.15015	15404	12162	10887	9495	12376	6120	2898	3897	9394	59019	38937	0	12236	6203	3566	5264	2233	9780	12671	41305	38831	27582	3895	5165	2841	26759	3125	17218	0	1357	0	0	5675	0	77723	0	3456	5563	3141	32456	22085	4012	416	0	0	25080	23129	0	1730	0	10043	12111	9285	0	13523	10599	5953	4046	2273	4660	4604	20529	18865	7824	4436	9835	4245	2390	24137	40163	44027	2477	0	0	1751	0	0	1686	7765	19571	4543	20401	2221	16013	12295	5720	6611	3852	4713	5855	10179	7189	7085	30380	47904	0	9231	6896	11516	10603	8300	5293	1241	5240	13894	6433	8706	0	2580	12016	Phytochemical	0.4074074	0.9259259	0.037037037
26	C24 H29 O13 N1	540.17114	540.17194	0.14982477	540.17126	5897	8917	7852	7038	6392	7238	0	0	9004	21324	5729	0	13570	3402	0	0	0	11381	6611	23108	27183	6896	0	0	0	0	0	2453	0	0	3279	0	3061	2910	18026	0	4135	0	0	17597	12756	0	0	0	0	41142	49502	0	2671	0	6112	8943	4864	0	11705	7313	0	2001	3019	0	0	11344	9608	6513	0	7216	2214	0	7112	20103	13345	0	2618	0	0	0	0	0	3867	0	3653	26513	0	9038	7974	0	3595	0	3343	0	2812	3803	0	5168	13612	0	6834	8567	4765	4251	8820	0	2927	0	27622	2455	4763	0	0	13747	Phytochemical	0.5416667	1.2083334	0.041666668
12	C24 H29 O13 N1	540.17114	540.1721	0.17960721	540.17126	56576	46444	44862	49263	28378	22327	33853	57471	45652	94318	55901	30104	51018	15222	34272	38958	38858	49842	62723	100017	106722	102089	47818	51603	25406	33332	27552	42870	50585	37279	41280	36937	44156	33683	118335	38982	38671	29910	38090	78534	82601	27073	924	0	0	113337	169041	0	36357	46870	49800	46927	26870	0	59401	31676	19490	41976	46946	38255	56230	71499	62030	39364	19675	39169	29614	34738	39587	41861	47201	35571	38692	46632	25508	32065	0	36069	36731	58082	38120	77550	27832	37008	39923	24735	31399	26969	29279	44060	22667	39267	46096	70050	64456	0	43769	77507	40452	27253	32741	51722	27700	56924	150369	33316	35260	0	24407	55086	Phytochemical	0.5416667	1.2083334	0.041666668
28	C24 H29 O13 N1	540.17114	540.17194	0.2001632	540.17126	5086	5715	5689	4649	5255	5981	1449	2293	5601	18402	3278	1571	7299	1485	0	2639	2469	5442	6157	23844	19981	4340	3392	3029	2295	5711	1115	3641	3530	2580	1546	2021	2345	2494	16596	2504	1990	1956	1324	11732	7910	0	0	0	0	28336	30450	0	2307	0	5335	3734	4377	0	5685	3077	1729	3183	2899	1617	2555	8053	4993	4085	1577	4499	3603	1471	5825	14461	15298	3025	1107	4014	0	2201	0	1931	3712	3839	2367	16551	2303	7756	4274	2268	2328	1300	1838	1056	2240	4052	2657	3860	6646	0	5645	6378	5644	1600	4287	0	1310	3668	20239	2814	2932	0	2365	8012	Phytochemical	0.5416667	1.2083334	0.041666668
16	C24 H29 O13 N1	540.17114	540.172	0.15507141	540.17126	104586	106064	105901	98487	82863	68869	50140	111298	98348	207098	88377	52993	158878	44817	96980	86207	49649	158626	154432	264280	237767	177289	101725	101926	71645	86784	44780	62689	103795	90977	84915	84497	108486	65767	251345	92342	100823	62488	44041	177559	93422	63903	2865	0	0	367706	333365	447	79368	97102	105434	122662	84027	0	144463	81899	45265	83255	100370	52819	87333	117106	138368	102690	40689	93663	68411	40853	93755	113737	99104	94410	79831	96760	59640	74727	0	66550	62420	116692	60399	226666	56545	106471	102319	67511	58320	51914	60915	40231	61901	94591	125678	121299	194746	561	112339	133883	85749	62523	76981	94929	48786	104364	278737	88045	95872	0	52757	123698	Phytochemical	0.5416667	1.2083334	0.041666668
10	C24 H29 O13 N1	540.17114	540.1722	0.24209142	540.1713	27557	23528	21571	21937	11239	11988	11504	21594	18155	41290	22163	14527	25179	4685	14562	19453	18827	18096	23560	41407	44740	40737	21326	25316	8329	15148	11946	12575	19167	20227	15915	16829	21969	11633	54766	22239	19642	15789	20452	31672	35632	10511	0	0	0	39675	56964	0	19448	25568	24145	26940	10769	0	26848	15873	7248	19535	14631	20869	30251	28389	27303	20089	7730	19482	13145	21773	12869	13432	22355	18890	16924	18982	16861	17275	0	12764	17699	18777	15863	25653	14465	16879	21061	11426	16614	12018	12019	20253	11785	17434	23998	28939	47876	0	29357	25914	12665	15089	14615	22287	13274	22313	44323	16161	14185	0	11667	26316	Phytochemical	0.5416667	1.2083334	0.041666668
22	C24 H29 O13 N1	540.17114	540.172	0.17647038	540.17126	36171	27958	31716	24261	28592	29245	6841	22847	38911	59039	20644	11633	55580	14150	16757	16472	6960	56009	37526	60207	60641	35437	21102	29285	14809	28561	5786	11815	17436	13170	16602	13268	17750	25946	52877	22194	12735	14226	9896	44112	24029	13902	0	0	0	149562	146675	0	15561	17761	25783	25202	22787	302	50179	32755	14792	15914	19261	12122	17524	36471	40688	33316	12562	27911	16392	6717	26915	48597	34539	19067	17326	22741	12827	16424	448	15406	21860	29415	15086	100452	14235	29081	42831	23586	14266	10207	16189	5638	12440	16925	22130	32961	49178	0	26262	32861	30834	22166	25127	18198	9786	25668	115537	13901	34241	0	11412	50141	Phytochemical	0.5416667	1.2083334	0.041666668
20	C24 H29 O13 N1	540.17114	540.17194	0.16299072	540.17126	101812	72103	89879	92804	94037	86747	34729	76661	112723	200708	68154	42130	187345	46975	75766	47112	28744	137749	134118	199329	206292	134950	68892	68923	60177	79939	31230	43938	71965	50731	65125	55053	67476	59086	229389	60118	80665	47968	30114	160189	72137	49967	2693	0	0	387978	309658	0	58517	66064	83996	81660	72422	417	133613	74331	42998	56771	81397	24398	68359	128053	152970	90309	39146	77853	61742	14787	61355	127389	95122	72370	71898	75356	33627	55386	0	63351	67178	72382	54330	231759	46764	97313	95546	60244	54506	41541	49143	17203	70820	80846	76204	84489	134071	870	85243	109413	89158	64118	58603	55453	51590	77580	291868	72287	77261	0	37290	155107	Phytochemical	0.5416667	1.2083334	0.041666668
8	C23 H29 O12 N3	540.1824	540.18353	0.28559738	540.18256	12747	9758	9989	10792	3597	4078	5044	10639	6878	9501	5131	6831	10765	1925	9192	14423	11637	8055	9732	7799	6095	21857	11146	13437	4016	1110	6494	0	10933	11073	10483	11204	14430	9804	11579	7544	10888	7274	13178	8146	9176	4661	0	0	0	9181	12078	0	13169	8446	9137	10920	5397	0	9564	4792	3929	9980	7793	7119	14479	6127	13513	9184	5455	7172	5990	13604	0	0	0	10679	8706	6959	6156	6813	0	6696	8462	2916	8699	6568	6429	3414	4918	4164	10481	4636	4513	19366	0	14148	21942	6633	7416	0	12075	12339	3971	4493	4229	11827	4756	14550	0	10149	6455	0	5882	11618	Peptide	0.5217391	1.2608696	0.13043478
14	C23 H29 O12 N3	540.1824	540.1832	0.22702405	540.1825	10036	24590	23189	20568	13588	13443	17141	20305	12329	40839	17729	12378	23397	4471	19868	21258	16758	17668	8372	29917	27112	31171	16608	22389	11257	6880	14630	0	24695	17217	12148	23272	22832	15658	54436	18666	24442	17158	17576	27829	20189	9989	0	0	0	25816	32957	0	21998	16524	20253	16388	9028	0	20072	7876	12195	12896	19026	0	0	15762	20721	12070	9937	13916	12355	14447	0	15437	13639	22266	19374	20287	13297	17641	0	16931	14889	0	16436	24746	16395	11355	12292	6997	15231	11820	13164	9861	19357	22639	27967	13844	18194	0	22761	15044	12179	9251	10736	28462	13914	23530	22332	20156	12051	0	15552	21477	Peptide	0.5217391	1.2608696	0.13043478
24	C28 H29 O10 N1	540.1864	540.18713	0.128703	540.18646	9182	3971	7111	3835	4209	4764	0	1933	6859	32145	18918	1378	4012	5037	2065	2638	0	7149	8138	16502	23341	12996	2676	2906	3174	24736	0	17300	2434	0	2284	0	3134	0	38874	2472	5096	1224	0	17579	21361	3342	0	0	0	18283	14374	0	2140	0	8548	7930	5036	0	6735	6093	3922	2813	3809	1060	2377	13449	12765	8718	4382	8145	3479	2261	26768	29137	39087	1450	0	0	0	2516	0	2102	4867	9089	3495	10313	1547	9767	10933	3721	5676	3828	3783	2924	5526	6235	3976	12296	17432	0	6952	7805	4242	4729	8522	5401	1034	3683	13403	4178	5479	0	2166	9237	Phytochemical	0.35714287	1.0357143	0.035714287
26	C28 H29 O10 N1	540.1864	540.1871	0.10018251	540.18646	0	3885	2990	2459	4015	0	0	0	3974	15703	9260	0	0	3226	0	0	0	0	0	11889	9149	8752	0	0	0	9611	0	6943	0	0	0	0	0	0	14231	0	0	0	0	7336	8441	0	0	0	0	7259	6960	0	0	0	4020	5050	0	0	0	0	0	0	0	0	0	7724	4643	0	0	2149	0	0	17488	13924	22123	0	0	0	0	0	0	0	0	6089	0	4320	0	4603	5178	0	0	0	0	2760	0	0	0	5410	7302	0	2694	0	0	2240	0	0	0	0	0	0	0	0	0	3770	Phytochemical	0.35714287	1.0357143	0.035714287
8	C25 H33 O12 N1	540.2076	540.2086	0.32117867	540.2077	6969	8218	6527	10017	3943	3542	4790	9198	4880	15349	4279	5339	7977	2025	5852	9327	5127	6271	7219	11174	13274	10631	4942	14093	4403	4450	4590	3189	6955	8366	7891	8005	9006	7322	21223	6268	8691	6782	7296	11357	7979	2545	0	0	0	8966	7219	0	10463	9103	10188	8269	4491	0	9518	4990	3986	8591	5474	4729	9129	5712	8381	7553	2137	8193	4092	7428	3726	4067	6917	7081	6661	6385	6006	7511	0	4449	7840	4027	4424	5338	0	5907	5301	0	4616	3891	4311	8808	0	11539	7943	8690	10719	0	10344	8430	3708	3961	4449	9104	4620	12910	8115	5629	3770	0	7077	7937	Lipid	0.48	1.32	0.04
26	C25 H33 O12 N1	540.2076	540.2084	0.21274233	540.20764	8782	8373	11960	12307	9504	9511	0	7408	11968	33106	6547	5507	23864	4882	9407	7139	5808	25750	13866	32209	28866	8231	7929	12338	5981	16594	1690	4748	8815	0	7829	7458	6234	7442	23673	7050	8482	3511	3118	15442	11135	0	0	0	0	32599	32847	0	6849	7860	14657	9458	7242	0	11718	9520	3453	6078	4681	3859	4622	9462	14989	8738	3203	12715	6011	4320	14697	38348	20045	10847	6987	11398	0	5509	0	4752	8927	8710	7152	21461	4075	9427	10495	0	4503	5241	6740	3335	5073	6754	9021	4142	11104	0	9378	8591	7750	5340	5701	4500	4484	11076	15839	4171	7767	0	0	19716	Lipid	0.48	1.32	0.04
12	C25 H33 O12 N1	540.2076	540.2085	0.17714918	540.20764	32143	37407	36191	30333	17451	21375	32220	58174	23870	60110	35006	26986	30155	13918	41393	45431	33504	29668	36300	71597	69189	56058	39032	51925	26532	40001	21674	24364	51079	34723	37826	37095	44028	35194	83589	42685	27651	33955	37802	49623	63947	22210	650	0	0	57452	59792	0	36170	48197	31262	29517	17964	0	39275	22459	17245	34309	41123	32597	36694	46831	27961	24481	11592	25460	17389	43406	40106	45027	48188	41219	39310	47973	25967	29139	0	32763	34210	21464	26687	33637	31987	33416	26297	19620	31866	15355	16917	38633	24120	38857	52298	28920	39336	0	43018	47349	22147	18050	21877	49766	26216	54636	41552	38080	21313	0	32035	34409	Lipid	0.48	1.32	0.04
16	C25 H33 O12 N1	540.2076	540.2084	0.15424351	540.20764	148635	152971	152392	148258	106240	87547	96077	191689	120800	268402	130993	94703	160792	59548	162272	173250	89831	172977	189577	339082	287151	172375	157796	197527	134051	191855	78436	112586	185356	179862	152763	154400	162486	129995	309312	0	161803	111120	92663	220692	136531	92813	4077	429	0	294632	0	0	158173	178500	151236	146179	107367	674	186644	99048	64514	125861	178742	91498	220081	146646	132795	112038	64625	112685	99610	77535	163844	222942	174112	177934	163251	187308	117259	145385	0	122955	0	105244	98697	174208	119761	143065	129357	81093	108006	83164	86316	112781	134428	149220	234082	100632	196273	1230	156373	189991	99736	72261	87893	161905	93135	205726	220889	148194	102600	366	92840	145068	Lipid	0.48	1.32	0.04
18	C25 H33 O12 N1	540.2076	540.20844	0.18307954	540.20764	198082	178182	0	179420	148398	130370	95860	238832	157140	351391	158190	105125	237681	84216	191664	176043	95666	259189	253320	424405	354291	197284	179364	222526	161528	230604	83572	128935	246128	182826	173105	182505	210410	183435	414289	232720	0	0	85522	299301	147785	117547	6852	367	0	433992	268608	333	175452	0	185316	183109	133077	677	254390	138166	82702	145046	204955	0	191027	193876	184688	148023	0	147467	112225	87562	192193	295938	202835	195404	177426	223359	111985	175732	0	136512	126219	114346	118760	241853	129603	155026	154153	127926	116890	89244	109870	69952	144779	188972	237177	111856	229113	1011	178848	209248	141493	94164	113584	184501	106600	225571	251202	138235	129076	415	103838	188840	Lipid	0.48	1.32	0.04
24	C25 H33 O12 N1	540.2076	540.2084	0.15932158	540.20764	24358	25038	28683	0	28050	22231	6574	23348	25058	59155	21104	12909	52590	8119	15681	19979	7978	45148	39756	63304	54673	25089	22247	20864	16122	36032	7422	9881	18540	15498	16579	14859	18720	16900	50823	17092	26042	14372	8689	38319	19549	7438	0	0	0	75792	69554	0	17185	21957	24219	24392	15495	0	32135	17280	11697	17508	15150	6760	19918	26530	36650	27351	8973	26910	15986	4135	25014	63745	34847	20969	21554	21590	12690	16557	0	13863	23736	15827	21208	42693	10726	22467	27477	14483	14504	12329	12917	6407	13241	22136	25250	16839	30435	0	21558	23149	22905	12059	21781	17295	7828	21234	52336	18304	21941	0	13087	41853	Lipid	0.48	1.32	0.04
28	C25 H33 O12 N1	540.2076	540.2084	0.2014239	540.20764	7446	5361	4987	5675	4675	5163	1482	2389	5148	15295	4570	2404	10331	2985	2202	2249	0	10398	5301	18998	17441	4654	3180	3549	2570	12551	1392	3352	3016	5006	3798	2616	3638	2283	16763	2045	2546	2014	0	9388	5720	0	0	0	0	14487	16509	0	4065	4269	4601	4312	3955	0	5132	2387	1572	3216	2218	1100	3914	5271	6330	3391	1379	4311	3607	1657	10910	23031	12162	4867	2660	0	2677	1950	0	2537	3201	3433	2526	10936	1632	5696	4327	2170	3147	0	2621	3006	4133	3365	4058	2129	4767	0	4153	6395	4847	1780	3501	2714	2220	4045	9772	3445	4194	0	1940	8036	Lipid	0.48	1.32	0.04
14	C24 H33 O11 N3	540.2188	540.2197	0.21313149	540.2189	10345	14268	7062	12102	6386	6652	11574	22756	10533	15541	8731	5696	8222	0	21242	13344	9422	5637	6702	19139	11289	9132	12995	13398	18868	5329	5180	8862	19304	15262	14594	0	25951	12519	5208	18521	18762	17069	13369	12077	6158	6163	0	0	0	12467	0	0	18560	10306	10688	15590	6741	0	12824	2315	4552	10032	17715	0	0	11871	8007	4295	5802	6167	5228	7284	0	7013	5619	15384	16117	18838	12013	10911	0	13424	14721	0	7634	10554	15748	6596	5841	0	17335	0	3655	0	25159	11793	32284	0	8261	0	14159	7909	4696	7842	3133	14718	11704	19954	0	9650	2711	0	12968	8649	Lipid	0.45833334	1.375	0.125
8	C24 H33 O11 N3	540.2188	540.21985	0.27998805	540.21893	18684	31719	17229	26580	7392	16851	15588	29412	12297	17748	4623	18975	9522	4188	20277	31899	17262	13665	19410	15522	10836	43050	19113	28371	16503	1431	11646	0	26955	22485	20547	22650	31587	22365	33363	19575	36120	18474	18333	18441	16833	9957	0	0	0	19734	15393	0	24150	23760	26682	22302	7944	0	20094	6939	10710	48774	19473	9195	28767	10992	12027	10977	8445	17415	11385	16827	0	0	0	27294	24366	17127	14379	25674	0	17133	20442	0	15477	12249	17622	10383	0	0	19296	10836	13971	34147	0	46890	64311	15651	24771	0	21816	15375	0	8964	15657	28302	11862	28713	0	19248	0	0	18750	17127	Lipid	0.45833334	1.375	0.125
12	C24 H33 O11 N3	540.2188	540.21967	0.20227359	540.2189	6796	11244	8076	4926	2319	5098	11264	15713	3856	4691	0	3878	4206	1552	7031	8624	5133	3961	8349	9436	5253	12078	9001	13061	12055	0	6383	0	11519	8030	10967	12796	11546	10050	11154	8341	12026	6992	6432	6994	0	3519	0	0	0	7673	0	0	11269	10512	10507	6134	2995	0	5310	2540	3393	9672	14523	0	0	2789	2421	3648	1636	5961	7990	8174	0	2102	0	9198	9870	8177	3510	5230	0	8239	9659	0	6594	4943	9859	4193	0	2070	12227	4456	6062	13012	11130	12555	21117	3660	6031	0	6229	6086	1677	1882	2284	8382	7586	9960	0	9777	2455	0	10302	4427	Lipid	0.45833334	1.375	0.125
24	C29 H33 O9 N1	540.2228	540.2236	0.11438974	540.2229	15286	10013	11116	13153	7895	7520	4111	5270	12131	33621	30311	4859	13072	8410	5605	9604	4581	6114	13364	30897	37385	12588	4985	8864	6469	48486	2708	29871	6381	6602	5204	7299	7523	7055	39840	6371	8302	2834	2664	28655	24777	4788	0	0	0	21295	22837	0	6334	4160	9726	10439	9531	0	10594	8262	5030	8020	7648	4448	6913	17139	13520	8276	4985	9133	11366	4785	39843	57016	56785	5946	5239	5565	3042	4591	0	6449	12637	5577	4655	8623	4238	20833	10324	4742	10457	8714	6006	12599	7055	10472	16415	13862	17207	0	13383	8662	9577	7954	9897	8798	4296	10202	13392	8301	10643	0	5031	12518	Phytochemical	0.31034482	1.137931	0.03448276
26	C29 H33 O9 N1	540.2228	540.22345	0.09873094	540.22284	4550	3704	5277	3903	5196	0	0	0	5027	10753	11906	0	4578	2267	0	0	0	0	4904	12581	13896	3217	0	0	0	22816	0	9624	0	0	0	0	3286	0	12628	0	0	0	0	12925	10651	0	0	0	0	0	0	0	0	0	4837	4398	2746	0	0	0	0	3590	0	0	0	6627	5413	3516	0	0	2933	2786	23673	21549	34389	0	0	0	0	2794	0	0	3963	0	0	0	0	8820	7901	0	3926	3548	3050	4124	0	0	6911	4097	6623	0	0	0	3551	4346	0	0	0	0	0	2606	0	0	0	5282	Phytochemical	0.31034482	1.137931	0.03448276
6	C23 H33 O10 N5	540.23004	540.23114	0.36398342	540.2302	0	4534	2666	2553	1335	3642	1914	4046	1245	1320	1356	1959	2037	856	2249	4032	2526	2913	1857	0	0	0	2591	4005	2229	0	2362	5979	4315	2623	3836	4005	4921	2995	0	2518	4511	2193	4372	0	0	1508	0	0	0	0	0	0	3931	2352	4374	3615	1524	0	1828	0	657	2204	1273	0	4212	0	1078	0	1021	3679	1622	2136	0	0	0	3358	2389	2834	1560	2153	0	2508	1550	25138	1815	715	708	0	2187	1003	1954	1784	2307	4155	16017	8911	6149	3044	1609	0	2691	2265	0	766	1384	3632	2314	0	0	3805	854	0	2594	2495	Peptide	0.4347826	1.4347826	0.2173913
4	C23 H33 O10 N5	540.23004	540.231	0.18769294	540.2301	1848	1114	1200	1973	990	3889	1514	3415	1242	0	0	2035	2187	807	1139	0	2724	1899	1275	0	0	1662	1635	1838	1284	0	824	3239	1598	1797	3051	2136	2101	1743	0	2052	2410	1551	3175	0	548	1399	0	0	0	0	0	0	1843	2226	1203	1857	918	0	1967	1137	709	2650	532	0	2997	0	881	1510	0	1573	1059	0	0	0	0	2277	2105	0	0	1732	0	1592	1239	25809	1119	0	332	0	1589	1211	1645	1118	0	1649	16017	4961	4237	1430	0	0	1379	1744	1763	2339	1099	2309	1431	0	0	1303	823	0	921	1660	Peptide	0.4347826	1.4347826	0.2173913
16	C26 H37 O11 N1	540.24396	540.24475	0.10143437	540.244	86052	86945	91336	87378	60757	50370	72125	147777	58826	123310	73938	73996	85764	29819	100509	132825	80065	72210	104373	168917	153614	75791	104193	135355	90805	104450	60677	65935	121873	125711	101062	111113	103201	80399	118426	129883	98772	70578	71436	92696	80271	61510	2221	0	0	118782	86475	0	114634	121853	87206	89667	56194	245	92684	54642	41609	105301	80523	55092	125195	62946	68716	61456	34466	59844	55537	68619	88384	122313	105933	106582	98978	133756	90166	101917	0	75645	89160	54800	68263	61478	82846	76681	74352	57535	71554	46750	57634	87047	90593	90856	185452	48634	77670	707	95770	116429	49140	49031	59254	119857	67766	135311	61791	94349	61942	0	74719	61659	Lipid	0.42307693	1.4230769	0.038461536
26	C26 H37 O11 N1	540.24396	540.2447	0.11270271	540.244	15342	15286	15526	12770	16608	16393	3842	16988	18825	45264	12530	6188	33858	6750	11029	7274	0	23291	28734	44112	42196	12622	10955	22428	9882	24715	4179	11709	12825	10176	12394	10139	13794	14822	41103	15625	18377	8868	6126	22682	14011	0	0	0	0	26757	17436	0	15975	12564	14136	16417	12971	0	22576	15418	5313	12067	9466	4272	15911	11478	27515	15806	6355	16518	13092	6162	26330	54091	38798	17053	13195	11314	10509	9377	0	7192	12306	5656	13277	14813	8280	13485	21478	8568	11665	7640	8574	5807	14311	12444	25035	7514	15426	0	17441	16693	12883	15564	10326	8857	7653	18279	13356	7536	12161	0	9320	31001	Lipid	0.42307693	1.4230769	0.038461536
20	C30 H37 O8 N1	540.2592	540.26	0.13107534	540.2593	10020	11785	9252	10013	4981	4557	6581	10908	4833	9877	17703	6807	1811	5433	7591	13606	15708	3723	6643	23098	15939	12679	7892	17783	11242	36147	5572	14873	10794	6967	8001	9437	14706	10582	14654	10396	11292	8088	15354	14298	20329	7407	0	0	0	11347	11455	0	13354	9015	10109	8564	4904	0	5759	3273	4880	11859	10039	11900	16799	10735	4072	5955	3708	6630	6265	11597	24767	34322	40383	5075	6765	6411	11385	8232	0	7011	15604	12308	7532	6581	7662	13531	6019	4115	16964	10562	5605	24131	9066	14858	24988	14742	8135	0	13686	11610	3769	4260	5161	13711	7866	14521	7142	12942	4583	0	8010	4053	Phytochemical	0.26666668	1.2333333	0.03333333
26	C30 H37 O8 N1	540.2592	540.25995	0.14608382	540.2593	6567	6108	9204	8485	3872	0	2525	7146	4768	10518	13817	3257	5769	3537	0	6338	0	0	6088	13012	13512	5865	0	8877	0	34170	0	18010	0	6087	6659	0	7525	6519	13580	0	8741	3393	5890	18226	15974	0	0	0	0	7768	10796	0	7408	0	4141	5778	4201	0	6202	7581	0	9541	5689	5871	7905	11047	4890	2321	0	7959	4111	3744	37345	24715	28717	6985	5331	0	0	4241	0	0	8034	5942	5240	7602	0	13967	6222	0	9858	3543	4008	7484	7288	4913	13614	6164	5691	0	7985	0	0	6891	7149	6442	0	6714	0	7695	5602	0	4472	2185	Phytochemical	0.26666668	1.2333333	0.03333333
8	C30 H37 O8 N1	540.2592	540.2593	-0.002705531	540.2592	1072	1556	1741	0	0	0	0	0	0	0	0	0	0	0	0	3094	0	0	0	0	0	1773	0	0	0	0	0	3181	0	0	0	0	0	0	0	0	0	0	0	0	687	0	0	0	0	0	0	0	0	0	986	905	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	75475	0	0	16890	0	0	0	1003	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.26666668	1.2333333	0.03333333
24	C30 H37 O8 N1	540.2592	540.2599	0.071641155	540.2592	18427	14651	19807	16686	13554	10356	6188	13404	10934	26209	36048	8980	12963	8514	9241	27545	13278	8206	14970	38119	41144	11428	10541	20775	13212	65755	6161	30389	13330	12780	11375	16825	17284	15129	28569	19071	15983	10243	13898	29014	30262	13351	0	0	0	21246	13563	0	18711	15660	16007	15347	14292	0	10434	10963	7845	18092	10433	9608	18950	21602	8804	9215	8175	14648	13785	11723	48569	61195	63187	13342	14807	10820	7186	12333	0	9378	14872	17150	11806	10051	11612	28726	12805	7410	21726	14182	10775	18084	20927	17571	30465	16150	21448	0	17691	22725	9325	12382	7834	20134	7309	20662	8995	21226	8918	0	14651	13118	Phytochemical	0.26666668	1.2333333	0.03333333
6	C24 H37 O9 N5	540.2664	540.2674	0.23147216	540.26654	1954	808	0	0	0	2354	0	0	0	0	0	0	642	0	0	0	0	665	1084	0	0	0	0	1127	1234	0	0	3042	1040	1644	810	1039	1542	0	0	0	1036	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	479	0	0	412	0	1029	0	0	0	0	0	829	0	0	0	931	0	0	0	0	743	778	0	0	0	575	702	42213	0	0	0	0	0	0	983	0	0	1222	20873	7122	2344	2737	0	0	0	1211	0	556	0	0	0	0	0	893	0	0	685	0	Peptide	0.375	1.5416666	0.20833333
26	C27 H41 O10 N1	540.28033	540.28107	0.061090548	540.28033	24482	24958	22962	23135	25827	17674	10740	25829	29668	45587	17975	12851	47603	15601	21988	24766	9101	40587	40833	54691	45635	29205	24061	30477	23785	28694	6931	18391	24971	23434	18704	22024	23292	21753	56750	25077	36479	15666	13414	28720	14386	13084	0	0	0	25869	19099	0	23485	20829	23077	23134	22548	0	37428	30395	10897	25390	17999	5161	33673	16235	45873	31122	9299	28068	19064	10704	27352	66059	43135	22014	22499	29702	8143	20454	0	17679	20391	6087	21950	12641	15362	17555	29267	12358	19267	11822	16174	11610	25712	28256	37298	7946	20177	0	20389	24877	16490	28349	25947	27020	9512	25375	15181	17895	21356	0	13465	40580	Lipid	0.37037036	1.5185186	0.037037037
20	C27 H41 O10 N1	540.28033	540.28107	0.07477326	540.28033	112732	91243	112798	106885	91951	84133	73371	154745	100862	134903	84176	74773	132937	66578	132096	149769	86252	119182	153198	175470	155111	88676	119165	0	107229	120410	74923	80469	157611	129735	114708	129690	141442	102858	136317	138452	137455	84515	77810	98800	56812	80818	2312	0	0	110227	85983	0	117999	134023	111883	113334	90348	0	145670	102331	57736	132642	107722	57110	141833	63871	112765	112012	54415	97527	68449	75253	94163	151976	122179	0	119972	138484	0	109312	0	96697	108714	48765	97069	52938	95057	94041	103102	83256	99488	58219	76219	74578	128407	135795	180379	55466	78872	777	107136	139874	82139	83743	91032	150417	82577	145140	71321	124636	97619	0	97428	110486	Lipid	0.37037036	1.5185186	0.037037037
14	C27 H41 O10 N1	540.28033	540.2812	0.18918905	540.2804	5027	6596	6246	9421	1082	3073	4883	12765	3634	4053	1668	6721	2887	1516	8823	11765	8791	2398	5141	7720	4169	5262	8497	13048	9479	3784	5255	0	12110	16604	10073	10141	13336	6958	6542	10797	6974	2819	8427	3914	0	2880	0	0	0	7079	6119	0	16837	13498	5219	5611	4762	0	1769	3620	1658	10671	0	0	0	2095	2465	3340	1651	2235	2848	8623	0	3035	3005	6800	10008	12629	10962	9488	0	5987	5224	0	5896	3942	4232	2332	2842	0	5298	2765	3978	5339	13641	5426	12036	0	6195	0	5887	6934	1739	2913	2796	10821	5517	22123	0	7096	5212	0	4702	1492	Lipid	0.37037036	1.5185186	0.037037037
18	C27 H41 O10 N1	540.28033	540.2811	0.05677247	540.28033	47598	45226	47414	48499	40564	33057	48742	80936	35891	43732	31955	44232	49495	21216	61512	72527	46874	42447	78726	58815	61686	41632	68491	71307	57862	59068	42972	27718	83830	71880	56182	72839	72272	63924	36175	84344	60421	48489	47779	35031	34743	37522	948	0	0	47978	39437	0	63861	63977	45082	48625	35465	0	64054	46317	27183	61886	46614	32153	72652	25675	38804	39083	25135	35492	32876	60953	40530	53694	52657	53886	48433	73151	65878	74841	0	39393	58603	23243	52154	29072	45470	26338	59494	38585	58231	30602	42323	48347	48819	60521	90164	22495	37688	0	47062	55772	34221	35141	44406	73265	38832	74678	22726	49193	36597	0	49801	36055	Lipid	0.37037036	1.5185186	0.037037037
22	C27 H41 O10 N1	540.28033	540.2811	0.09527323	540.2804	144696	136426	145057	132808	130147	117132	79965	197371	149759	214337	108073	85254	164363	79190	148376	154368	78553	199253	213619	255998	233457	127752	154643	182896	153171	151918	73161	97996	190379	140565	0	164503	180138	127776	244794	166031	0	108813	74944	165496	74448	97764	2430	0	0	154776	79263	0	151482	143591	139141	128035	117718	443	229630	123089	75102	145160	0	59487	179772	97918	176860	138337	68276	137758	117019	71799	114945	245522	152225	144492	130985	167337	83852	0	0	129212	140149	59635	0	74286	113836	88906	137916	100600	121450	79763	0	76929	169072	203334	208324	65548	119274	0	135959	157369	107429	99048	112256	216259	0	166380	89171	145348	118458	0	94665	181014	Lipid	0.37037036	1.5185186	0.037037037
24	C31 H41 O7 N1	540.2956	540.2963	0.087308735	540.29565	8930	9061	8785	6805	3088	3641	6210	8128	4115	7566	14617	6011	1531	3311	6741	14132	14345	3138	7724	14885	16783	8182	6592	16905	8906	21762	4955	14754	11764	13324	13244	9265	14978	12591	4734	14050	15540	6962	12662	13229	14170	5128	0	0	0	9246	7311	0	13073	10743	9479	7573	3696	0	6202	3055	4539	11902	6103	9783	16931	9252	3715	3791	3377	3829	5020	14317	20355	14973	20613	9773	13716	9190	7995	12353	0	6111	7536	7747	6038	4582	9429	10241	3654	4833	12834	5808	5986	11450	16115	12517	17005	5272	7753	0	10151	9234	2970	2893	4056	17836	7156	13978	7345	14482	3841	0	11122	2457	Lipid	0.22580644	1.3225807	0.032258064
26	C31 H41 O7 N1	540.2956	540.2962	0.018646654	540.2956	6506	6206	6292	6557	2654	3694	3020	9329	4111	4769	13291	5187	0	3050	0	0	0	0	11589	11164	10211	8885	0	10771	9902	27455	4225	10514	13097	7029	8299	6772	20698	7185	6641	11655	20559	3660	6189	11681	7792	8657	0	0	0	8177	0	0	10849	7339	5683	6848	4935	0	6787	0	3483	9323	5883	5826	8506	4793	0	3210	2472	4175	11182	11199	20157	14557	19005	6872	7372	9407	0	7595	0	5134	7320	6567	4887	3212	5003	8145	0	0	10314	3522	6470	8041	10081	10031	14077	4196	0	0	6954	8312	2659	5425	4492	15651	3468	11980	0	12730	0	0	6953	2713	Lipid	0.22580644	1.3225807	0.032258064
8	C25 H41 O8 N5	540.3028	540.30365	0.15026867	540.30286	1062	0	0	964	0	3471	0	0	0	0	1321	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12535	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1534	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44843	0	0	0	0	0	0	0	0	0	0	153244	60290	0	8504	1003	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.32	1.64	0.2
10	C25 H41 O8 N5	540.3028	540.3034	0.09529117	540.30286	0	1251	0	2029	0	0	0	0	0	0	1177	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11173	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1025	0	0	0	0	1233	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	62487	0	0	0	0	0	0	0	0	0	0	204362	60926	0	7321	0	0	0	1486	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.32	1.64	0.2
20	C28 H45 O9 N1	540.3167	540.3175	0.1536965	540.3168	13164	11434	12787	11591	17606	8362	14057	20502	18003	2674	7597	9865	11526	8653	25995	26041	22406	13970	22755	16974	7752	5667	14861	24513	15021	10094	13177	4870	24109	21849	12598	17893	18523	11516	7603	30345	18321	15311	19809	4790	4279	9002	0	0	0	8792	6943	0	15180	21383	9681	16767	16917	0	24295	17347	9395	15459	9628	7946	16986	3001	9431	10259	9436	10951	6752	21740	5270	8323	9276	12749	13556	19502	25066	16117	0	11825	20151	5469	18149	2782	12932	8486	24682	15779	19175	8683	7551	15749	11305	12900	20879	3096	6703	0	14096	12987	10086	17126	22924	27836	9939	15320	5538	13441	23778	0	15233	9059	Lipid	0.32142857	1.6071428	0.035714287
24	C28 H45 O9 N1	540.3167	540.3174	0.047301624	540.3167	56428	51046	53224	52190	62565	43031	52197	63516	65172	53916	35636	30507	74412	39615	61131	65268	33057	71960	108689	82122	57627	45173	47810	64272	58313	44988	40498	39202	67846	57661	49585	57103	83328	50557	73281	78854	84629	43330	33278	42028	21879	42716	0	0	0	48103	20005	0	60047	45747	50576	50895	54574	0	111570	54362	30360	75776	45141	19276	68330	25901	78012	65011	26998	65495	52237	32780	31810	73809	40824	47262	47814	64164	30475	48212	0	41109	56545	24621	38745	21449	53485	36141	65845	46217	53793	26265	46735	35099	75321	75739	82446	19126	37081	0	56481	59994	36009	56930	63818	79875	34008	65901	27580	66129	64172	0	39204	71351	Lipid	0.32142857	1.6071428	0.035714287
22	C28 H45 O9 N1	540.3167	540.31744	0.06832391	540.3168	44067	41011	35013	35536	40513	25020	44535	45963	43465	27040	21600	28220	38689	22752	42003	46854	39531	48582	64655	38017	45110	25979	45084	42833	39947	36559	38909	19523	55580	51603	42089	49630	56442	40359	33170	55879	60856	39013	42620	21752	17168	34013	0	0	0	23070	17240	0	50557	44054	35789	32676	38420	0	67592	38872	30007	52318	33689	14567	54569	13774	48594	46834	22240	39152	38018	37180	23414	42525	24903	31467	36067	48733	38056	44488	0	33301	56919	14997	34420	13930	45883	22404	61570	40116	48819	24686	33086	29422	48683	44298	54865	13781	26037	0	44840	42917	29409	44285	47248	67364	28842	49828	16674	38988	45082	0	33564	41124	Lipid	0.32142857	1.6071428	0.035714287
26	C28 H45 O9 N1	540.3167	540.3175	0.0734433	540.3168	30604	26098	28961	30081	37814	24702	25869	42786	39159	27915	18132	14057	42787	26897	31903	24091	14104	34020	62168	45668	32698	24462	24688	28422	61215	19259	20296	23042	47791	26805	30266	30890	43083	28118	45835	39297	48334	26792	15049	29708	12406	16480	0	0	0	26635	9078	0	34433	26405	29324	28198	28190	0	70078	38432	15800	35537	35976	8901	37031	18490	48686	34427	13492	34494	30409	17079	20099	46113	22437	25793	29092	36403	12427	26276	0	22240	27650	14040	17537	14764	27291	19497	40945	31176	33571	13325	21564	14361	39260	51077	53113	16128	17808	0	24439	40595	20161	36748	38939	41308	15970	35840	19638	32426	27488	0	27835	30403	Lipid	0.32142857	1.6071428	0.035714287
14	C32 H45 O6 N1	540.332	540.3325	0.1292656	540.33203	0	0	0	0	0	0	34030	7913	0	0	0	12723	0	0	5534	7090	0	0	0	0	0	0	0	0	0	0	37351	0	0	0	0	0	0	0	0	0	0	6166	0	0	0	0	0	0	0	0	0	0	0	6865	0	0	0	0	0	0	0	0	0	0	0	0	0	0	765	0	0	0	0	0	0	0	0	0	0	0	0	14564	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12408	0	0	0	0	0	0	0	Lipid	0.1875	1.40625	0.03125
26	C29 H49 O8 N1	540.3531	540.35376	0.07862741	540.35315	9822	6596	9582	8168	14146	5433	36861	7648	7435	2085	3998	4224	12814	10378	7902	9525	11020	9782	17237	0	0	3575	0	6885	16810	0	27894	7639	15798	12222	9029	8879	16240	9782	3117	18106	19284	9202	8372	5389	2108	0	0	0	0	0	0	0	11782	13275	11501	6915	9050	0	21258	12301	7806	10604	10490	3334	9709	3127	11228	11574	3311	10167	9584	7531	0	4236	2627	6868	9871	15208	0	9831	0	8012	7999	0	5145	0	14815	9474	18911	12848	16630	5321	6346	7665	15504	16009	10760	3431	0	0	10697	8910	6998	13284	16350	23282	5565	12054	9710	9979	10540	0	8574	6111	Lipid	0.27586207	1.6896552	0.03448276
16	C29 H49 O8 N1	540.3531	540.35376	0.04862146	540.35315	2224	1680	0	0	4523	0	0	0	0	0	0	0	0	0	0	0	0	17076	0	0	0	0	0	0	0	0	0	0	0	0	1308	36566	0	0	0	0	0	0	0	3061	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1843	2783	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.27586207	1.6896552	0.03448276
14	C29 H49 O8 N1	540.3531	540.35425	0.0822545	540.35315	0	0	0	0	0	0	0	1381	0	0	0	0	0	0	0	31167	0	2246	0	0	0	0	0	0	0	0	0	0	4339	1602	0	54727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5419	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2018	1356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.27586207	1.6896552	0.03448276
24	C29 H49 O8 N1	540.3531	540.3538	0.12877427	540.35315	6357	4114	6154	7080	7648	3837	21198	8711	7913	0	2248	5732	7739	5774	6096	8480	8716	5160	16395	4355	0	1716	4428	4228	7110	4121	20736	4178	12011	10289	4819	12185	11646	6627	1389	13143	8088	5268	10272	1657	1267	5118	0	0	0	3060	1175	0	9812	5278	8455	6112	6291	0	13675	6849	5944	7516	3670	3226	10366	1749	4848	7243	4961	6089	7811	6577	0	0	1966	4227	7883	11811	9054	9713	0	4371	7653	1741	2469	2071	10822	3639	12694	9359	11288	5792	7273	6811	8892	7290	7264	1427	2742	0	6636	5393	3933	7259	12458	14194	3815	6742	2341	6788	9579	0	5144	4769	Lipid	0.27586207	1.6896552	0.03448276
26	C27 H57 O9 N1	540.4106	540.41144	-0.027762132	540.4106	2533	2103	2065	0	0	0	0	0	0	5923	2248	0	0	30432	0	0	0	0	0	0	0	0	0	0	0	0	0	4333	0	0	0	0	0	0	0	0	2106	0	0	0	0	9264	0	0	0	0	0	0	0	0	0	2193	0	0	0	0	0	0	0	0	0	0	4000	0	10444	5564	6084	3573	0	1537	2316	0	9920	8460	0	0	0	0	11388	0	0	0	0	0	0	0	0	0	0	4039	2325	46352	0	0	0	0	0	0	0	0	0	0	0	0	0	2898	0	0	0	0	Lipid	0.33333334	2.1111112	0.037037037
28	C27 H57 O9 N1	540.4106	540.4112	0.30215642	540.41077	1719	1549	2476	1248	0	1837	0	0	872	3067	2882	0	0	956	0	0	0	0	0	0	0	0	0	0	0	19321	1096	4947	0	0	0	1095	1458	0	0	0	0	1192	0	1632	0	0	0	1202	0	0	0	0	0	0	2539	1121	0	0	0	0	0	0	116764	1625	0	15747	0	0	1206	0	1068	769	19661	4719	896	1054	0	0	0	1281	0	1075	845	2103	0	1977	0	1017	0	0	0	915	0	0	8055	6461	0	1130	0	0	1601	2589	0	1752	0	0	0	13822	172617	1235	0	0	1061	748	Lipid	0.33333334	2.1111112	0.037037037
14	C22 H20 O16	541.0824	541.0834	0.3776252	541.08264	0	2019	2360	4313	8682	2859	0	1692	10272	0	0	0	14627	0	0	0	0	5608	3668	0	1624	0	2563	0	0	0	0	0	0	0	0	0	0	0	2727	0	0	0	0	0	0	0	0	0	0	0	3722	0	0	0	1820	3069	3728	0	4312	8154	1661	0	0	0	0	1313	21682	7263	2238	13009	2445	0	0	0	0	0	0	0	0	0	0	0	2678	0	1722	3628	0	0	11665	0	0	3989	1942	0	0	0	0	8711	3211	0	0	0	8625	18486	12335	0	1468	0	0	0	5755	0	0	17310	Phytochemical	0.72727275	0.90909094	0.0
16	C22 H20 O16	541.0824	541.08344	0.32675168	541.0826	0	12663	0	7173	37899	9024	0	0	39918	12375	0	0	67497	6882	4032	0	0	12477	26115	0	0	20154	6300	0	0	0	0	0	0	0	0	0	0	0	13947	0	0	3816	5781	0	7944	6456	0	0	0	5112	31890	0	0	0	6711	11376	8628	0	24030	32235	7329	0	0	0	0	5340	71577	41949	4323	31698	7788	0	0	0	2462	0	0	0	0	0	0	0	8019	0	5655	11094	0	0	36480	4314	0	4800	5808	0	0	0	0	32230	15873	0	7797	5499	20205	43692	41067	0	0	0	27021	0	19101	0	1026	70983	Phytochemical	0.72727275	0.90909094	0.0
12	C22 H20 O16	541.0824	541.0836	0.3802747	541.08264	4797	0	6147	6516	16929	0	0	0	11487	0	0	0	19212	0	3309	0	0	0	15015	0	0	0	3831	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3450	0	0	0	0	13263	0	0	0	0	0	5556	0	7119	21447	6417	0	0	0	0	0	41688	14799	4500	18807	4929	0	0	0	0	0	0	0	0	0	0	0	3522	0	3726	1099	0	0	20220	2628	0	4215	4125	0	0	0	0	10089	0	0	0	0	15531	42402	21471	0	0	0	0	0	11763	0	0	23946	Phytochemical	0.72727275	0.90909094	0.0
14	C23 H24 O15	541.1188	541.1198	0.3188235	541.11896	22968	23331	22974	21337	31504	20633	5569	3997	51638	17761	16095	7445	68399	9230	12030	6473	2863	40158	42256	20403	25743	48566	16537	7758	2113	2130	5041	0	6530	5354	7137	7131	10819	6307	33422	4692	9777	9780	4785	15467	18685	12351	0	0	0	44282	101600	0	5124	7415	24967	17248	21631	0	48553	34444	12619	6965	8776	0	0	12894	71097	38661	12508	43092	13219	9581	0	5051	9507	3763	5226	3032	5274	6563	0	8468	16537	34898	14798	46456	3448	4506	35272	17114	13158	8286	15823	7723	0	14931	10081	64252	36790	0	28175	17218	31970	34416	31593	9202	8452	7623	81920	8469	26928	0	4583	58783	Phytochemical	0.65217394	1.0434783	0.0
12	C23 H24 O15	541.1188	541.1198	0.36732996	541.119	39362	45442	33214	39144	55586	23782	8608	15924	73602	34512	33628	14084	81228	16676	19002	20178	25282	64112	62558	30118	49278	94548	39122	18594	2674	3782	13252	0	3884	5398	15936	13076	22674	11686	73110	11212	15998	25828	19742	22314	53926	19714	0	0	0	81974	216196	0	10562	15926	38332	46420	34302	0	83482	48664	32010	17824	11272	0	0	31906	129706	81554	23926	76446	32704	30948	0	0	0	11514	11746	10494	15326	7952	0	16856	36800	46848	28392	73986	9370	9984	74458	28018	26742	21126	28180	29096	0	16944	25272	95860	60318	0	48192	37336	72698	71120	79086	19170	17348	11744	62252	19944	55326	0	11362	120250	Phytochemical	0.65217394	1.0434783	0.0
10	C23 H24 O15	541.1188	541.1199	0.43066266	541.119	29588	30532	17808	18696	45688	17048	9968	7772	61556	10704	28952	7992	74864	12076	5364	9776	7432	41248	43020	10324	30344	50868	14984	11064	4164	0	6348	0	5036	5644	4788	5440	0	3764	28116	6028	9052	10060	8620	6736	26396	19572	0	0	0	26584	96360	0	7184	11988	35028	25936	23968	0	48476	44648	21600	9084	0	7112	0	10484	79768	50604	14080	58732	21040	13920	0	0	0	5000	4196	0	14560	7888	0	6564	32028	27600	24308	37560	3392	4456	59564	20028	25540	17640	17644	26410	0	0	7992	59500	36908	0	23444	19940	49992	68540	69860	12296	12684	0	0	7972	44260	0	9872	79336	Phytochemical	0.65217394	1.0434783	0.0
14	C22 H24 O14 N2	541.13	541.13104	0.37308097	541.13025	6614	4626	6401	6229	4305	2037	0	1998	10074	3701	0	4703	14784	3123	3998	0	3888	6745	5155	3315	8479	12315	4642	2789	0	0	2096	0	2729	2548	2792	0	4554	2620	5800	5039	3634	2349	2219	8457	7481	2603	0	0	0	18536	33677	0	3004	2891	4074	6433	4288	0	9682	5897	2775	4450	0	0	0	7429	15795	9536	4601	6613	5761	3864	0	0	0	1690	1912	2444	5647	2338	0	3824	2882	0	3748	16343	0	1633	5235	0	3145	4753	6110	6345	0	5520	4151	12706	4315	0	6667	5873	3977	6427	4750	5592	2712	0	20430	4362	5950	0	0	12300	Phytochemical	0.6363636	1.0909091	0.09090909
22	C27 H24 O12	541.13403	541.1348	0.13617247	541.13416	24433	23137	22954	19618	30845	22891	6672	2876	43158	85638	42252	2607	47827	24209	7284	7510	0	46552	32970	42082	44402	53242	9787	5730	6731	34813	4637	24774	3836	0	0	0	5733	2926	115123	2348	7927	7736	0	19230	17416	6361	0	0	0	44567	41247	0	3644	2928	18451	25285	25197	0	34311	30121	14927	5652	8903	3754	8357	19993	60780	34341	15275	36299	15882	3063	31502	50566	44879	4251	1559	0	1806	1884	0	2070	18677	28130	14070	33931	5339	22977	41693	21713	16540	9208	9663	6666	12460	12095	6407	48805	67771	0	17373	16979	34323	35642	37235	5905	3363	7184	24797	4364	32614	0	7814	50868	Phytochemical	0.44444445	0.8888889	0.0
18	C27 H24 O12	541.13403	541.1349	0.14636	541.13416	33926	35587	26937	31344	34099	22114	5994	7218	43661	134822	59463	7132	52158	20784	8175	6030	2577	41757	37673	62128	60289	56272	13220	8523	9304	44540	6635	32954	0	2534	5119	6510	6887	0	143937	0	8847	10188	2745	36698	32726	10209	825	0	0	46737	49965	0	6792	3979	26536	37496	21593	0	42667	31546	16002	12754	8625	5865	6205	27629	69750	34577	15114	42594	15060	4034	41638	66726	58414	1662	2431	0	3030	0	0	5824	25551	42638	21611	38056	6721	22546	39359	26408	19743	6924	10973	5104	8631	21267	17555	54765	84330	0	27077	30215	37097	39983	35224	6820	4158	5806	35718	8241	28131	0	6013	46743	Phytochemical	0.44444445	0.8888889	0.0
24	C27 H24 O12	541.13403	541.1348	0.17234576	541.13416	11267	12702	13676	13010	23250	10586	0	1736	29136	48278	16821	1882	36004	9116	3455	1936	1536	23772	18887	25269	25846	28057	7820	3218	3807	15796	2402	11390	0	0	1719	2124	1772	1065	59711	1198	3775	4196	0	12844	11043	2131	0	0	0	21485	24371	0	0	0	11649	12742	14180	0	32727	22336	7781	2672	3287	0	1841	9519	34815	23129	6288	22407	6797	1848	21484	34973	29277	1387	0	0	0	0	0	2761	13186	19861	11769	14818	2435	11464	30967	13380	9294	3674	5199	3950	4853	6512	2376	28858	41830	0	13588	10101	19519	24683	21346	3013	1889	2740	11495	2444	21461	0	2465	37873	Phytochemical	0.44444445	0.8888889	0.0
26	C27 H24 O12	541.13403	541.1348	0.2099225	541.13416	7767	8468	6727	8096	14142	5432	0	0	15439	28259	10993	0	23771	5376	0	0	0	15781	11640	14394	19037	20704	0	0	0	13121	0	5033	0	0	0	0	2236	0	35460	0	2823	0	0	7030	6858	0	0	0	0	10229	13281	0	0	0	7534	4658	10364	0	16654	11729	5117	0	0	0	0	5368	31277	12492	4091	13434	6248	0	9953	21474	17944	0	0	0	0	0	0	0	12026	8924	6652	7605	0	6663	22069	6961	4536	0	3704	0	3466	4226	0	19550	21969	0	7605	0	11220	18420	19370	0	0	0	0	0	14016	0	0	18874	Phytochemical	0.44444445	0.8888889	0.0
14	C27 H24 O12	541.13403	541.13495	0.1650176	541.13416	10164	8018	7996	6627	8025	3254	0	1460	10882	44162	22107	1897	11537	3604	2535	0	0	7182	6476	20457	16828	15877	3445	0	1416	15230	1528	10124	0	1800	3187	0	0	2176	48207	2570	2570	3027	2490	9071	10506	0	0	0	0	12928	15455	0	0	0	7541	11077	3121	0	7388	6307	3181	4655	0	0	0	8416	13327	5887	3121	9655	5326	1877	0	18596	23405	2891	1283	0	0	0	0	1737	9183	0	6526	11780	1692	8643	11624	0	5792	0	4206	0	3627	4203	3469	18050	17027	0	6000	5927	8496	11835	10844	0	1780	3949	0	0	7659	0	3091	10594	Phytochemical	0.44444445	0.8888889	0.0
28	C27 H24 O12	541.13403	541.13477	0.20204139	541.13416	5056	3861	4010	5795	8942	4695	0	0	9938	16143	5441	0	17156	3290	0	0	0	12613	10269	7184	9478	9213	0	0	0	6801	0	2373	0	0	1193	0	1488	0	21683	0	1420	0	0	3445	3725	2396	0	0	0	6253	4556	0	1084	0	5402	3702	6015	0	11239	11496	2542	889	1348	1373	0	3215	16259	8001	3278	11730	2374	0	6671	12953	13566	0	0	0	0	0	0	0	5549	7190	3984	3448	1483	4177	10700	5910	4212	1728	1694	0	2275	3722	0	11780	16286	0	3812	4124	5936	10939	11812	0	0	0	3388	1091	6476	0	1294	12866	Phytochemical	0.44444445	0.8888889	0.0
20	C27 H24 O12	541.13403	541.1348	0.15708418	541.13416	33026	29219	30490	27587	38608	23974	4518	4823	46959	132073	63042	5591	70938	22508	10273	9134	2582	45521	47807	67920	71751	66590	15377	5079	10922	54710	6403	32473	4168	2659	5258	2418	10004	5519	161919	3414	11440	12436	4641	39857	27757	10312	986	0	0	45802	45877	0	9410	4903	26753	28158	22307	0	42649	33420	17136	9681	9979	3652	7193	23627	83812	36401	15874	45003	17625	3883	46999	65940	52602	3554	2260	0	1963	3132	0	4695	31806	36534	24568	37618	9573	33696	49916	28857	23261	11737	14477	5687	16884	19853	9295	60519	80715	0	28851	24083	47233	55252	43066	6109	3735	9364	38799	6329	39679	0	6761	67118	Phytochemical	0.44444445	0.8888889	0.0
12	C23 H28 O13 N2	541.16644	541.16736	0.23160449	541.16656	22497	18857	24177	28907	12880	13397	14813	33585	18475	21154	11884	17352	30337	3538	22816	19723	17463	23236	26784	26150	27521	45587	22240	20654	10864	2101	14808	0	24374	19588	22591	21257	31073	18747	30418	19876	29870	19117	17834	27233	28346	12882	0	0	0	44352	46037	0	23457	21405	24608	23164	14580	0	34626	11592	11595	27548	30362	11364	26847	22929	31220	18925	9860	19976	12946	19234	0	4849	0	21286	16109	23817	16897	17246	0	17682	15741	19299	16212	24646	14516	12227	16941	8871	20646	11277	14480	26118	10610	23067	34405	30057	24252	0	30878	24412	11136	14736	11656	22637	14478	25579	46548	23575	10907	0	15022	31325	Phytochemical	0.5652174	1.2173913	0.08695652
22	C28 H28 O11	541.1704	541.1712	0.13143349	541.17053	50445	48356	44793	43011	57841	37229	9878	10937	72319	180326	89093	6950	82441	41141	19247	15290	10418	67649	62679	112518	100161	61137	23026	14740	13440	116151	7688	70899	10888	10742	12956	10028	21773	10782	187806	8307	23290	11106	12028	72303	59686	22179	0	0	0	56193	66460	0	15404	7689	46110	48552	41411	0	64919	52927	26392	14376	18357	8394	16015	48332	89536	43061	25090	66285	27043	9123	94826	162902	140557	11683	9373	5540	5313	5852	0	12909	32267	37411	30152	45714	12153	54318	76166	31903	31295	18792	22247	15462	23822	31143	24060	62660	81123	0	43726	49400	60786	64648	58108	16894	6446	16886	45877	12617	50753	0	15302	78776	Phytochemical	0.39285713	1.0	0.0
24	C28 H28 O11	541.1704	541.1712	0.17831188	541.17053	23487	25307	24972	25409	38059	17546	5526	7710	41193	89784	42029	4072	56031	19178	8634	8708	5092	41648	37495	55377	55225	33592	17645	7927	6965	63481	4332	38160	3693	3058	4269	4193	8840	4507	120590	4420	9619	10158	5341	34507	31326	8467	0	0	0	41089	31699	0	6428	6431	27340	26702	23205	0	39955	30733	12866	10121	6994	4477	6091	26145	67138	37755	13126	38602	13468	6643	60285	98298	94639	6702	0	2875	3833	4590	0	6425	23474	19287	18711	24997	7215	30712	43830	20049	21015	7808	10942	7817	12982	12138	9259	35405	52127	0	27618	20244	33904	39778	33000	9175	4384	7774	20826	5399	31961	0	6939	49204	Phytochemical	0.39285713	1.0	0.0
28	C28 H28 O11	541.1704	541.1711	0.17142572	541.17053	6877	5432	6451	5192	9739	4098	1179	0	11518	17903	7544	0	17610	4762	3002	0	0	11267	13573	13365	11198	10517	3598	4525	0	14352	1495	8791	0	0	1327	0	2128	0	21156	0	1866	2543	932	7327	6245	0	0	0	0	3868	6473	0	1567	0	5717	6286	5179	0	13038	9498	3095	2470	1445	1542	3477	4532	17107	8882	3172	12087	3790	0	13483	24526	27232	1885	0	0	0	1144	0	0	7336	7819	5302	3978	1849	4876	11859	7419	6713	2583	2194	1464	3343	4440	0	9495	13195	0	4271	7050	5795	11043	13661	0	0	0	2956	1943	8101	0	1195	11529	Phytochemical	0.39285713	1.0	0.0
26	C28 H28 O11	541.1704	541.17114	0.10875399	541.1705	10910	15574	10244	11771	19138	8333	2563	0	24951	38654	20831	3711	37502	11380	0	5783	0	21566	25794	28876	34649	16635	7078	0	0	34157	2093	12178	0	0	0	0	4825	0	48816	0	4475	6717	2920	17701	18488	0	0	0	0	13062	10699	0	4912	0	14265	11796	13294	0	20372	22601	6095	3253	3899	0	5188	11855	35731	17947	6685	23657	9915	0	25612	48624	48133	0	0	0	0	0	0	0	13449	11384	12048	11321	3351	11914	20997	13625	8068	5538	6066	2490	3507	6133	0	18387	25775	0	12631	9454	17992	22916	21427	0	4460	6446	8710	3999	15199	0	3755	33754	Phytochemical	0.39285713	1.0	0.0
18	C25 H32 O13	541.1916	541.19244	0.18428874	541.19165	86843	94779	94028	85980	64166	62929	58773	104618	75668	233238	62237	37903	111129	29591	93476	67603	33168	101785	108375	171081	122338	134826	84674	95044	82276	36410	29926	54144	92143	71139	85446	87625	111403	82529	281755	85004	101674	69395	32405	136530	49750	35748	1654	0	0	210680	89334	0	99103	74528	84712	96837	56769	0	148725	54146	36662	70046	99474	28081	70374	84135	103771	80652	31832	76696	55733	38696	36803	106193	44544	95187	72335	103720	45421	83226	0	83328	70890	54052	63664	117706	68916	68795	49147	42197	47569	30804	50852	33374	76166	108572	102767	64828	113571	0	94740	83317	55894	35470	36901	81664	48354	86656	108503	69436	47908	0	41805	100663	Phytochemical	0.52	1.28	0.0
20	C25 H32 O13	541.1916	541.1924	0.18977937	541.19165	56596	49126	56180	51268	34242	40728	23212	56006	72753	117660	36340	21994	74499	23715	57260	30848	18618	63666	68008	102454	93661	89881	48711	41600	53128	25984	19822	31682	58039	44458	57820	52761	61345	51963	172429	51670	71629	40713	15391	87533	23420	27889	864	0	0	148908	58333	0	50146	50129	59033	59102	36087	0	97398	29562	22703	58720	70739	12684	42024	53761	72296	59137	21321	47084	31559	19631	30843	64373	30445	58826	53117	59938	19606	44057	0	40818	36584	27824	36916	65273	33233	40591	27274	27454	29263	21728	31401	14821	58253	77068	67424	36354	51713	0	58857	59284	35846	21587	20682	45902	27704	52412	81844	51163	29958	0	28336	84071	Phytochemical	0.52	1.28	0.0
24	C24 H32 O12 N2	541.2028	541.2036	0.58551544	541.2031	55058	32827	41856	30282	54670	43686	10326	33798	27972	94799	92367	13458	28959	10224	22440	14802	16278	45966	32064	87602	85682	65431	30253	37842	24233	180818	8130	68667	19951	25614	26592	29754	36954	23299	162756	27416	32278	16956	16331	135274	112896	0	0	0	0	118098	49608	0	34940	27168	35020	0	37560	0	52168	0	20844	36664	50778	20760	30471	67085	48570	36402	17562	51605	37675	9522	164802	226325	197392	31442	22276	28116	13332	24199	0	27372	43098	42846	20076	48456	28692	72771	51569	30348	34734	1488	22643	40866	84102	55445	65832	69288	124820	0	73655	49416	23280	24204	31446	36600	24582	34749	78318	37054	27517	0	14112	73508	Lipid	0.5	1.3333334	0.083333336
10	C24 H32 O12 N2	541.2028	541.20386	0.26915586	541.20294	12267	14844	12002	11685	4568	5181	8546	16299	7142	12563	5106	7241	11604	2492	13678	18890	10045	8230	12464	17357	13423	33382	12753	19187	12707	0	7514	2929	14693	9751	12345	17365	19146	12161	20683	15771	23605	11055	10484	15959	12344	6871	0	0	0	15342	13302	0	18869	12565	13838	10836	5776	0	14599	6452	4896	15305	16147	7670	15004	7992	11697	9276	3403	11576	7815	13292	0	0	3451	19461	15327	14167	8293	13186	0	11438	9093	0	10728	6451	9911	8873	5812	4948	10511	5143	8122	14815	15778	25732	28000	13857	13911	0	12348	14048	2861	6276	4347	15784	10987	17148	0	15929	3547	0	8091	13208	Lipid	0.5	1.3333334	0.083333336
12	C24 H32 O12 N2	541.2028	541.2038	0.20812307	541.20294	83485	106044	127756	106613	36023	46591	92026	203774	49219	174634	76846	65197	68942	22669	157706	94254	97865	69190	80935	252226	141748	170021	105112	124893	35318	27031	59223	0	114918	102812	141046	97165	132840	98689	196833	100548	112087	47658	97033	120920	95158	55627	0	0	0	143936	132016	0	111201	109157	88859	114253	44959	0	101194	35420	40058	106359	138082	72657	97081	66172	71778	60637	33780	70100	54871	106619	0	48053	43325	99160	101587	106106	64063	90495	0	81097	83957	82464	84611	147556	96069	76800	45088	40613	90412	44380	44645	142190	77773	112133	154422	74774	95805	0	107910	120323	53564	54957	49529	126715	78388	105885	83094	108652	45144	0	81252	86415	Lipid	0.5	1.3333334	0.083333336
20	C29 H32 O10	541.20685	541.20764	0.14527707	541.2069	116392	102282	98187	95724	95785	66676	45039	65306	115903	256486	159471	43677	120505	70199	62877	69654	48973	92949	118381	226724	230444	105997	69431	74812	50921	277806	43246	142078	54978	50830	56365	60883	71072	51422	294719	48124	67807	55044	45413	140973	148076	45195	2980	0	0	92258	101949	0	64906	53814	99671	100363	73002	0	104976	84117	50035	82202	58272	44131	60278	105794	140098	94080	49522	102444	63614	50956	222223	341514	343054	64492	54532	49371	39849	57842	0	50702	100271	74337	83558	71414	55095	155558	108447	65610	91814	50420	57561	76369	71757	68941	86403	69859	114708	0	97381	96690	98379	103484	95965	57969	41301	67807	65553	60316	86972	0	63660	120877	Phytochemical	0.3448276	1.1034483	0.0
26	C29 H32 O10	541.20685	541.2076	0.14870562	541.2069	25994	24862	24401	19062	31610	16533	5094	9207	37404	59117	38581	7556	53853	18792	12921	14268	0	38419	39951	56582	59684	23579	20772	16381	0	80865	5219	34919	6625	7015	11351	6725	10764	6823	73626	10147	12842	7091	9472	37826	31629	0	0	0	0	29854	26631	0	10196	9148	28715	27153	23516	0	37816	42495	11594	14415	10124	9467	12950	27717	46098	25987	13434	36728	16819	12870	77561	101407	110512	8361	6307	0	0	9326	0	9536	25850	20005	19889	20486	9997	27941	47640	16726	25704	11989	12581	11457	10070	16216	12889	25127	35675	0	24980	21095	25433	43238	40476	9195	5693	14492	13230	8440	27027	0	10062	43131	Phytochemical	0.3448276	1.1034483	0.0
28	C29 H32 O10	541.20685	541.2076	0.15388332	541.2069	9427	8715	7828	8672	13809	5507	3478	3675	11192	23699	13830	2191	26101	9693	3507	5791	3463	11728	14301	18356	21774	9042	6338	5650	3654	29585	2779	12336	3653	2904	3368	2084	4685	2452	30130	0	5448	3816	2479	13558	12424	5187	0	0	0	9376	8333	0	3683	4006	10172	6976	7530	0	13977	12840	3685	4719	4225	2582	4837	7779	16723	11342	3716	17875	5848	2453	33247	40903	48855	3438	3251	0	0	2893	0	4442	9860	8702	7370	6685	3488	9135	18745	8291	10472	5111	3804	4701	4645	5437	8725	7621	9882	0	9992	8912	9574	15583	21838	2973	1504	7433	3830	3663	11488	0	3859	16800	Phytochemical	0.3448276	1.1034483	0.0
18	C29 H32 O10	541.20685	541.20764	0.11546713	541.2069	67533	66013	67545	62829	48528	34363	34398	44591	56622	133034	92074	38227	53786	38368	35879	46052	45063	56171	66806	119498	103977	61761	45313	46644	33972	147750	28015	77021	36950	35834	42342	41460	49156	39705	130387	41381	47770	39437	44221	87892	91492	32066	1587	0	0	59326	61672	0	48708	44702	57845	72143	40771	0	61156	51512	32817	49486	37550	35302	50131	63477	75661	56488	31447	55109	43470	42209	130106	157474	214948	36922	36335	36908	40854	50940	0	33536	75647	46094	53990	52985	40556	70401	62138	39028	71381	29124	35537	58911	41806	44603	74996	42323	66560	0	69622	58624	54331	61243	53512	42114	27705	52707	36087	41109	39505	0	44955	64419	Phytochemical	0.3448276	1.1034483	0.0
10	C23 H32 O11 N4	541.21405	541.2151	0.46228495	541.2143	5651	3431	2929	2546	3019	0	2085	6930	1052	7164	2921	3110	2363	0	3797	4039	3506	2075	3733	2166	5226	5291	5405	7856	5679	1818	2350	0	4294	5125	3263	5868	3995	5495	6703	6150	3856	2171	5003	3725	3321	1959	0	0	0	0	4020	0	2949	7634	6131	1948	3857	0	2423	2035	1432	5216	0	0	0	0	1915	1175	795	1872	1439	0	0	0	2107	3333	4850	6059	3240	4681	0	2992	4754	0	0	1938	5017	1985	2786	769	5881	3796	1927	7984	25182	10842	8111	3095	3476	0	5008	6579	0	862	2291	4108	1480	0	0	4790	3462	0	0	2841	Peptide	0.47826087	1.3913044	0.17391305
6	C23 H32 O11 N4	541.21405	541.215	0.33716285	541.21423	3047	1978	1729	2684	1228	867	1327	3314	1352	1203	0	1466	1907	0	2328	2517	0	1954	1339	2307	0	4696	2120	3884	2443	0	813	0	2887	2313	3124	3588	4555	2210	1973	2711	4263	1580	4096	0	0	0	0	0	0	0	0	0	2987	2451	2812	2975	1867	0	1112	732	600	2763	0	1062	3246	0	1102	1255	667	1740	2638	3518	0	0	0	2507	2205	1444	1595	2134	0	1509	1517	0	1095	801	1273	0	0	1137	1638	942	1803	6255	20533	8903	7557	1143	0	0	1420	2523	606	639	1432	2659	1935	2405	0	3325	0	0	2794	2935	Peptide	0.47826087	1.3913044	0.17391305
22	C26 H36 O12	541.22797	541.2287	0.0932901	541.228	78832	70938	61546	67012	47418	62724	35756	104832	79036	208788	49014	36886	87230	29062	99522	57088	20370	98668	94050	141292	111892	102800	73296	79288	99582	53024	30618	45200	111770	75104	90742	104052	99588	67306	226856	86020	111576	58462	33230	92042	24416	33478	0	0	0	107776	31334	0	76998	71470	83790	80206	51286	352	140670	58370	30702	72988	115048	15676	76296	70656	103194	82230	33998	65116	56000	24440	58776	82906	51498	83340	84094	97988	27438	69582	0	68470	66470	25692	41462	44626	46712	40686	42132	36056	44388	28352	59288	26104	86376	112112	97830	35884	75054	0	63212	80958	31030	39964	37608	73510	48930	89118	51960	78642	35288	0	48300	128218	Lipid	0.46153846	1.3846154	0.0
18	C26 H36 O12	541.22797	541.22876	0.16321653	541.228	67455	68969	66061	70689	31834	38954	51231	99744	54675	143396	60331	41498	63053	27091	79772	61567	35522	60286	59551	123103	88107	75230	70878	83277	67893	37477	41669	50653	96799	78259	81706	89426	98095	85446	155068	91150	84608	61522	42976	79941	33667	37331	1538	0	0	73340	30881	0	94665	74535	68738	75468	36052	0	100802	40587	31456	70572	91183	30933	72552	54592	64748	63362	33172	51945	44034	46164	27866	68080	37571	74966	65199	95380	49417	81721	0	60442	62917	37357	59776	50678	63446	46746	38383	36825	53215	31540	49729	42672	61565	81934	96534	34151	59068	0	75347	68676	40024	32562	38032	80758	45227	90321	44417	62723	33536	0	52024	62190	Lipid	0.46153846	1.3846154	0.0
16	C26 H36 O12	541.22797	541.2289	0.2362867	541.2281	272955	231816	441088	221029	103583	227282	316692	580945	134873	294707	213062	182172	263342	68366	458863	488750	259236	158047	376879	664433	315277	270363	413352	553656	459953	239155	276435	177918	530741	520711	396257	313077	490350	239721	446099	623084	485659	204213	220035	392590	210819	164614	720	0	0	491054	303057	0	477318	327030	228987	225039	132263	0	258129	108180	98948	289853	345134	128703	282629	125851	115492	136538	81967	118544	230124	235485	198452	251861	230969	295067	367117	378273	377834	419735	0	369500	244505	133555	297692	158544	358634	198599	135588	128250	243290	222483	158582	118586	321622	352599	54826	99362	334929	0	256752	222427	88925	115813	131390	455287	200201	382278	130405	86187	219107	0	226153	176740	Lipid	0.46153846	1.3846154	0.0
12	C21 H41 O12 S1 Na1	541.22894	541.2296	0.13912897	541.229	6208	6750	6547	8730	2813	3531	10955	10394	4455	11362	4196	7065	3324	0	9225	15275	13415	4001	8080	12562	7235	6453	7986	10688	9193	0	9724	0	8049	10530	10962	8282	8691	8408	8305	10026	10044	9810	15855	6540	4616	4663	0	0	0	6501	5892	0	12216	14035	9450	5357	0	0	5278	1576	3249	15334	6404	7207	0	3537	2860	3767	3310	4880	3224	14586	0	3009	6175	9057	8567	12264	11034	9899	0	9414	7830	0	8544	4751	9228	6361	4099	2175	9464	4238	5699	15343	21709	8693	16384	10706	6838	0	11157	10679	3381	2834	3839	11544	5637	10289	0	10638	3918	0	8961	3402	Organosulfur	0.5714286	1.9523809	0.0
10	C24 H36 O8 N4 S1	541.23267	541.2334	-0.048176575	541.23267	0	0	0	0	0	1763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1371	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1295	0	0	0	0	0	0	0	0	0	0	0	0	23178	0	0	0	0	0	715	0	0	0	0	42698	9695	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.33333334	1.5	0.16666667
22	C30 H36 O9	541.2432	541.24396	0.14152087	541.2433	163110	164088	161600	164261	163389	98258	82234	140734	175641	268868	230937	88850	171464	116478	114235	157908	100219	158928	177876	306296	312813	163809	130285	157070	127349	431599	85141	230868	125297	108815	114732	123349	141483	113763	350972	118000	147149	111837	114093	229174	201061	97125	3936	0	0	147881	140384	0	135581	118308	184814	167597	129830	508	189413	153916	104773	133382	114302	86280	144578	153184	185329	139546	87194	158963	117382	133439	342125	523056	506223	104045	94233	96150	85568	108713	0	95257	187303	94405	143490	105280	113236	171565	179375	117419	192997	84643	103015	161299	154475	171172	189281	125311	156291	0	149115	161704	132106	176173	169742	144034	93344	132873	101369	137421	144939	0	117156	158478	Phytochemical	0.3	1.2	0.0
26	C30 H36 O9	541.2432	541.244	0.12282057	541.2433	55704	53798	53052	51377	66692	33532	18248	49786	72455	92029	73024	24206	94210	42700	42042	54174	22133	69346	89694	113918	109355	48103	50805	44572	40425	163614	16366	77020	37731	34469	38856	31045	37315	35039	126253	40116	50255	35332	31862	79544	72051	31687	0	0	0	63143	42941	0	39304	36042	55184	52017	46892	0	74944	77365	38076	40622	36601	18677	49199	56486	79439	51948	25199	69573	41118	26183	153407	175618	182867	40282	27393	28297	23055	30667	0	28729	55932	36403	44467	32034	26827	68346	84270	41134	52967	35498	32727	35362	37353	48081	60254	44295	53331	0	49510	54526	49488	95707	103163	46387	23951	52445	26759	31851	59604	0	30575	68766	Phytochemical	0.3	1.2	0.0
20	C30 H36 O9	541.2432	541.24396	0.10915028	541.2433	128523	130702	122371	109638	115112	56416	73125	102668	126136	156309	132939	73235	116512	66142	85749	131635	92430	100236	139088	204955	195656	121356	93350	117718	76121	288086	70244	128371	98756	85783	83644	88737	99625	75182	200789	88935	93933	78205	98835	145518	157147	59360	2407	0	0	103186	107919	0	99793	86786	112344	123121	87921	0	128339	108789	70074	118602	72850	84463	101472	91115	131173	100942	62785	102024	77010	108526	196945	301082	328950	80593	79565	84672	86951	83093	0	73020	141152	70327	98965	62584	84818	142588	128137	69754	154135	65532	65379	141655	122728	106390	138795	80167	90147	0	111301	111999	94946	131749	112491	109015	69547	121539	64633	102304	100570	0	93109	119594	Phytochemical	0.3	1.2	0.0
28	C30 H36 O9	541.2432	541.24396	0.10412954	541.2433	14106	15670	14355	13817	20627	7378	6832	6531	19640	19897	16322	3745	29948	11655	8567	10402	6825	15209	23459	24129	26131	11035	10440	12670	9788	49077	7561	19622	7862	7824	7373	8793	10543	7032	31176	10768	11901	6085	8473	18605	19746	8333	1391	0	0	11041	12813	0	8483	9689	15342	12041	15817	0	18792	20958	8466	11912	5858	5253	13233	9863	20264	15045	8019	21013	8784	8939	47182	55439	67215	7084	4475	7546	6527	7885	0	5857	19425	11022	10698	9312	5493	16947	26542	8628	16036	7558	6787	10597	11927	11143	14296	10550	10616	0	12818	15555	12415	28295	30942	12502	7078	10613	4605	8268	15966	0	8052	16289	Phytochemical	0.3	1.2	0.0
28	C29 H36 O8 N2	541.25446	541.2548	0.4571187	541.2547	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1922	0	0	0	0	0	0	0	0	0	0	2194	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2412	0	0	0	0	0	0	0	0	2310	0	0	0	0	0	0	0	1582	0	0	0	0	0	937	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2252	0	30316	0	0	7932	0	0	0	0	0	0	0	0	0	0	0	0	2252	0	0	0	0	Phytochemical	0.27586207	1.2413793	0.06896552
14	C31 H40 O6 S1	541.26184	541.2629	0.09387831	541.2619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16460	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	253	0	0	0	0	0	7979	0	0	0	0	0	0	0	0	25551	0	1339	0	0	0	0	0	0	0	0	23655	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.19354838	1.2903225	0.0
20	C27 H40 O11	541.26434	541.26514	0.057525743	541.26434	27419	31887	31585	28798	14460	14597	27686	34111	30976	48567	18565	16235	27117	15096	34448	27979	21260	26875	31985	42292	24906	29538	21835	30116	33258	8124	19272	21104	49077	37489	32462	41498	40343	35305	49620	40184	52564	24807	19649	22974	9179	20525	587	0	0	14305	11639	0	43975	29438	28755	25700	19558	0	42947	17906	14189	33478	37133	11473	31689	17452	31719	24140	19898	24933	21748	18117	5774	22865	7656	34273	35337	45538	27920	34768	0	25619	29348	12319	25283	12148	29399	19354	19098	18455	28738	13741	17286	15787	82409	41575	42422	14043	20856	0	31659	31570	15219	19129	27007	45507	24933	32155	15755	27452	16591	0	23881	35628	Lipid	0.4074074	1.4814814	0.0
16	C27 H40 O11	541.26434	541.2653	0.35211357	541.2645	6512	7120	9907	12022	4224	3463	9755	13225	3580	5292	5938	8682	2183	4326	8920	12627	12588	3751	4679	5026	5601	3700	6008	10101	6361	4339	10934	7812	13544	13224	13238	17048	13057	7275	7846	18249	14200	6728	14834	4054	3553	4066	0	0	0	3600	2160	0	21176	10917	9557	9696	6530	0	7810	3929	3341	13576	5470	5463	7616	3280	4423	3571	4022	3190	3415	12013	2431	0	2782	10890	11798	16207	16766	16266	0	6192	7620	30094	9072	4384	11103	3415	7027	5093	8898	4531	6055	0	168592	29743	0	6175	4386	0	8610	5856	2390	4427	4744	13770	6707	11703	0	0	4528	0	7404	3414	Lipid	0.4074074	1.4814814	0.0
14	C22 H45 O11 S1 Na1	541.2653	541.2664	0.30951533	541.26544	3900	0	4078	5434	2257	1580	3753	8775	1196	2070	2127	4809	1751	0	2574	5456	5944	1540	2219	2827	2799	0	1902	4150	4490	0	6309	0	3066	9117	5588	0	5944	4901	3896	5040	6260	4093	8343	1121	0	1927	0	0	0	2789	0	0	7991	3138	0	2556	956	0	1520	1923	1830	4660	0	0	0	0	0	0	1762	1275	1424	10857	0	2098	0	5231	4352	5285	7916	5311	0	4448	2727	27896	3258	1307	2162	1783	3245	0	4143	0	0	9547	72671	11977	3500	0	4374	0	3050	3985	0	2196	2270	5601	2869	0	0	4892	2114	0	3216	0	Organosulfur	0.5	2.0454545	0.0
22	C31 H40 O8	541.2796	541.28033	0.100037605	541.27966	122210	119815	97273	113589	88694	60575	78362	111731	104844	111446	136558	71801	89022	62899	102220	148057	124832	90173	129279	161710	159793	96333	98053	120188	99490	218230	78938	119593	102432	95554	89640	119853	124491	80177	159859	106174	121713	89106	127067	118507	114818	76663	0	0	0	80561	77657	0	99398	100384	112269	116116	82676	0	116071	106511	75408	130410	85314	85290	133636	88381	107652	96256	58166	91111	80054	138346	173363	219954	248615	69947	71271	81130	96468	94606	0	74145	147958	76117	111886	60340	91129	94419	118873	93545	147994	68305	77144	138360	128642	121661	139883	76828	100767	0	111104	113323	91951	125283	116742	131296	77401	123156	63939	104885	91150	0	106477	91594	Phytochemical	0.2580645	1.2903225	0.0
26	C31 H40 O8	541.2796	541.2804	0.12219361	541.27966	103420	92949	99695	87559	96874	56778	51822	115697	108512	110991	122147	48966	129014	71327	89544	108937	54580	101046	139207	196699	167769	94562	75577	104563	104316	246129	47853	138048	94762	96762	87175	82789	101142	69066	158037	99666	118329	70089	66145	131888	101733	69184	0	0	0	84456	57723	0	95643	106554	104484	91843	83047	0	128256	128912	57926	109082	79014	42011	111057	88682	106991	96500	46539	89501	75612	71380	222632	252715	207818	75436	68516	84079	59041	77838	0	56754	107928	80526	79666	53523	81075	107969	125930	74089	100572	57975	69837	73368	90051	102248	134202	81114	88401	0	89421	104663	72976	134884	140604	124020	59969	110094	59751	72950	106161	0	77567	92161	Phytochemical	0.2580645	1.2903225	0.0
24	C31 H40 O8	541.2796	541.28033	0.12892902	541.27966	156375	168387	144645	142610	134304	94343	91654	137755	156390	201049	183096	83179	159698	94480	128995	176673	139059	135942	203241	281144	235145	136544	123033	150795	121799	339041	86774	204374	138476	119028	116355	136259	162136	102379	233166	136714	170251	108630	150698	195632	160983	93459	2774	0	0	129408	99123	0	138605	130135	160854	145431	118899	0	182722	153484	91571	162093	125865	81747	164645	142885	174068	133748	76716	140476	115657	147547	275241	381021	362392	101821	95618	116185	97561	114819	0	96570	181144	107448	134050	87103	119548	158361	171034	121410	177811	79930	109111	147180	153453	167111	185425	114577	146058	0	150712	147132	109013	154411	171419	167434	80803	180147	90598	126375	127811	0	126235	132984	Phytochemical	0.2580645	1.2903225	0.0
18	C31 H40 O8	541.2796	541.28046	0.15913509	541.27966	14059	12955	13786	12366	5886	2926	17631	12934	6592	4831	6296	13414	1782	5291	15325	17367	31752	5025	9110	9107	7044	12975	10783	13354	10221	12125	16604	8056	9269	12805	14577	14070	15774	0	7509	16353	11318	13971	31363	9597	11694	5596	0	0	0	5461	11299	0	14265	11832	14882	12382	9899	0	11774	10296	11225	21032	7540	11782	15841	6264	7959	11645	9917	6990	5670	31522	10297	10937	17829	6616	10320	16611	27018	20498	0	10646	34086	10882	16585	10552	18828	6099	10526	6705	22707	5772	7682	27406	10749	10813	19659	4162	8529	0	15912	9872	6836	12713	13125	14426	10841	10869	5612	10955	5866	0	15124	6203	Phytochemical	0.2580645	1.2903225	0.0
28	C31 H40 O8	541.2796	541.28033	0.095729716	541.27966	19657	18118	20149	17010	18401	8576	16495	20941	27429	19050	21615	10052	26457	14133	15153	19467	14670	15635	27674	29502	24487	21605	12114	17784	21879	50694	12536	25396	18847	21755	19478	12095	22715	15144	26800	15429	22676	15822	14350	20023	20088	10962	0	0	0	18863	10869	0	15114	29712	18696	16390	17252	0	25236	31072	9648	19163	11280	7561	21202	11940	21357	17609	9083	21279	13690	14688	45433	47319	56132	10379	10180	14692	6781	14175	0	10106	23133	21300	15518	12303	12968	21285	29466	15076	30330	9889	11542	18860	16902	20407	23983	31684	17011	0	21305	19682	15218	42890	43386	22026	11261	19346	11350	14990	16922	0	15456	15960	Phytochemical	0.2580645	1.2903225	0.0
6	C32 H44 O5 S1	541.2982	541.2985	-0.31215474	541.29803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2658	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31225	0	0	0	0	0	0	0	0	0	0	11406	2278	0	1331	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15625	1.375	0.0
22	C28 H44 O10	541.3007	541.30133	-0.11277553	541.30066	9242	6856	5479	4558	4559	3076	14164	10625	6746	3500	2800	5798	3563	0	6295	14182	5001	9300	7751	8457	0	4340	5411	4100	6581	2822	7713	2561	16570	19959	16214	17700	15367	12315	4857	16915	14440	5665	6258	3115	0	4443	0	0	0	2774	2192	0	21508	7383	9026	9309	3330	0	10747	4696	3077	11959	6398	3763	8565	1544	4277	6133	4750	5899	8018	4634	0	6273	0	8945	14843	11804	11334	13647	0	8895	6030	2438	4836	3384	12308	7364	6433	3108	4815	2611	8406	4311	9886	7679	7766	2027	1914	0	0	5382	2670	4178	5642	13751	7240	12812	2812	7840	3092	0	6855	6596	Lipid	0.35714287	1.5714285	0.0
20	C32 H44 O7	541.316	541.3168	0.2958994	541.31616	6389	4881	3267	4644	0	0	9204	5449	1592	0	4113	4833	3646	2290	4198	7607	28529	0	2472	1965	0	3903	2028	6240	2775	0	21192	3310	17506	4739	4983	3651	8665	1780	0	8234	5577	7391	30245	0	0	2459	492	0	0	0	3622	0	6655	5823	5988	4980	2557	0	2643	6386	4330	7961	1803	8491	6485	2236	3036	3426	3205	0	2835	34907	2093	2053	3153	0	8972	4078	10510	4755	0	4057	9698	0	5016	1362	6227	0	8335	2827	9279	1956	1693	15022	4224	2178	4431	0	0	0	2382	5513	2966	6314	13490	10042	3431	3643	1837	6785	4349	0	7384	0	Lipid	0.21875	1.375	0.0
26	C32 H44 O7	541.316	541.3168	0.08271137	541.31604	75142	71812	74107	64572	49884	32788	56654	71402	68902	52267	93267	43485	61945	54256	68150	94985	133537	66018	96414	94360	70666	55864	48953	64997	74165	139687	89382	95103	104747	87106	63511	69828	107525	55374	69044	86388	94083	61657	138503	69328	70331	61912	0	0	0	50091	38852	0	72371	72050	70818	68240	52428	0	87481	97032	49944	82934	62626	43983	81041	49402	57016	58439	36829	53042	58552	154402	117803	106772	116167	36812	98085	66316	66414	67544	0	45415	80300	54336	61885	39204	71178	72623	92638	64378	87592	44502	50900	82820	66431	68219	84396	52216	48960	0	79015	76230	59328	129764	121865	139318	48796	94155	39742	64543	70728	0	66442	50469	Lipid	0.21875	1.375	0.0
28	C32 H44 O7	541.316	541.3167	0.09962644	541.31604	41501	30293	30251	29957	18410	9312	35749	26230	21551	13243	31651	11961	22368	25653	25098	20637	116318	22778	25894	27645	17727	21928	20902	17208	26982	45948	87132	28369	63344	25888	21534	22322	86892	18698	25007	31737	38327	32519	144088	24636	17467	45749	3586	0	0	16272	11068	0	25795	19194	25006	30088	15350	0	28450	37686	14603	31346	20430	11127	25643	13193	21494	19381	9858	21378	16889	269067	35754	26893	35380	12762	168139	24047	22837	19310	0	16530	37323	21137	18493	14445	25894	26297	35902	20788	38627	12410	16134	43223	26241	23523	30402	18610	7999	0	29055	29964	17879	68981	54629	132112	16757	25908	15589	32434	26271	2326	26870	10906	Lipid	0.21875	1.375	0.0
24	C32 H44 O7	541.316	541.3167	0.05968491	541.31604	60709	62796	56471	52941	42029	31509	54670	51197	56223	35549	62166	40309	47696	42320	47786	79463	157677	36751	69311	53381	51311	41655	40328	51277	53986	89248	80493	60464	81592	56404	48504	64263	89774	44672	50160	75685	72015	53133	173959	47979	50701	38607	3275	0	0	27940	33988	0	64732	50677	63818	57491	40013	0	71801	67179	39125	71182	38226	42378	65293	31157	54339	51084	31729	44470	41412	194025	64729	76571	92146	26124	69317	56104	64461	60652	0	39717	75215	43884	50959	30205	50566	46010	79883	55154	79113	32561	46864	98647	57770	68943	73086	36970	35135	0	59825	54013	39043	86291	86594	113020	38105	65610	27286	67481	49584	0	59883	35939	Lipid	0.21875	1.375	0.0
18	C30 H44 O5 N4	541.33844	541.33936	-0.5531812	541.33813	2688	0	0	0	0	0	0	0	0	0	1937	0	0	0	0	2742	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1230	0	0	317	0	0	0	2791	0	0	0	0	2561	0	0	0	0	0	0	139989	71569	18724	1351	0	0	0	0	0	0	6166	0	0	0	0	0	0	0	0	0	0	7059	0	0	9223	0	0	0	0	0	0	0	0	0	0	4414	0	0	0	1930	0	0	0	0	0	208064	9743	0	0	0	0	0	Peptide	0.16666667	1.4666667	0.13333334
6	C28 H48 O8 N2	541.3483	541.3494	0.22430257	541.34845	0	0	0	0	0	0	4573	0	0	0	14903	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13180	24184	13991	0	0	0	0	0	0	0	0	0	694	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17518	0	0	0	35570	0	8264	0	0	0	2003	0	0	0	0	17497	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2857143	1.7142857	0.071428575
24	C33 H48 O6	541.35236	541.353	0.0760614	541.3524	3645	5434	3977	4719	2476	2555	11114	5070	3414	0	1384	3427	2975	2711	3659	12387	23557	0	1915	1989	0	0	3514	2413	6942	3242	11699	3224	7525	6047	3595	6927	4108	1857	0	5383	4691	5326	20701	1349	1777	2409	0	0	0	0	1908	0	4190	6501	5864	4846	5204	0	6971	11085	5369	6461	2232	4898	3469	1752	0	1171	2591	2178	4359	27070	1110	0	3128	897	1563	5566	10402	5687	0	2937	11233	1823	4777	1460	5429	1217	10598	4999	17101	994	2429	22188	6712	5563	5328	0	1540	0	4083	3980	3008	17422	20405	8127	2451	2180	0	5531	7002	0	7362	0	Lipid	0.18181819	1.4545455	0.0
26	C33 H48 O6	541.35236	541.353	0.013499031	541.35236	10723	12018	9447	12303	6110	4104	20934	12862	13091	2801	9504	9803	5597	10328	11918	15356	32821	0	12687	0	0	6819	9532	9918	19842	14518	25420	11142	10508	14386	8482	11893	13958	6650	2185	17757	13117	13451	42222	4421	7272	7245	0	0	0	0	0	0	9508	12103	14045	13579	8403	0	19512	28287	11159	22822	9497	10109	11366	3200	6446	8788	6217	7975	13454	54332	8250	7059	4449	4675	3506	18260	16081	11202	0	8868	24213	9281	8201	5584	14555	8118	25466	20509	38774	4874	10612	38783	10662	14769	18162	5490	0	0	13121	12681	11423	43392	49221	22336	10805	13738	0	12905	16988	0	15952	2594	Lipid	0.18181819	1.4545455	0.0
24	C30 H52 O8	541.3735	541.374	0.1160437	541.37354	0	0	0	0	0	0	1470	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2312	0	1300	0	1888	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1714	0	898	0	0	0	0	0	0	22853	0	0	5326	0	0	0	0	0	0	0	0	0	0	0	0	1299	0	0	0	0	Lipid	0.26666668	1.7333333	0.0
18	C22 H23 O13 N1 S1	542.0963	542.0968	0.002138945	542.0963	4237	4341	6290	5174	10280	1738	0	0	13572	18343	6673	0	17373	2491	0	0	0	7473	8209	7675	16792	26493	2010	0	0	0	0	4660	0	0	0	0	0	0	33921	0	0	1343	0	9382	13716	1241	0	0	0	4586	20792	0	0	0	6099	3757	4808	0	13409	11020	4262	1216	0	2635	0	9134	28488	7875	5986	11537	2746	0	4527	0	0	0	1200	0	0	0	0	0	4293	22375	2195	10433	1406	3380	12982	5642	4932	2143	2077	2311	0	0	2291	34286	37218	0	2657	3248	10731	10471	13905	0	1191	0	11057	0	8547	0	1647	20100	Organosulfur	0.59090906	1.0454545	0.045454547
10	C22 H23 O15 N1	542.1141	542.1152	0.33319262	542.1142	2774	3893	2214	2448	6548	2204	1592	0	9718	3115	3043	0	15988	0	1086	0	0	6555	9842	1652	7766	8183	3171	2932	0	0	0	0	0	1126	0	1130	1732	0	4508	0	1627	1057	2421	1628	7574	3878	0	0	0	7271	28767	0	0	0	2327	4418	5292	0	12806	11782	3227	0	0	1679	0	3552	18935	8592	3743	7457	4247	2616	0	0	0	977	0	0	1823	0	0	1032	2580	0	2895	6748	0	0	19062	3967	1598	3608	0	2547	0	0	0	13678	6047	0	4032	4754	7883	12902	15488	0	1722	0	14996	1110	9156	0	0	15027	Phytochemical	0.6818182	1.0454545	0.045454547
14	C22 H23 O15 N1	542.1141	542.115	0.24306802	542.1142	30318	44052	29916	37599	77667	38694	9594	9093	123336	26403	32730	14226	154197	23391	16425	7995	20418	91386	85041	34014	77973	116832	47736	13488	0	3723	5316	0	10098	7008	7224	0	19683	5250	49650	7509	15831	21411	12750	14649	53088	45624	0	0	0	108967	311364	0	5388	13182	25485	38511	55464	0	99501	119361	27711	10119	0	16263	0	26811	147594	116979	33078	96678	33105	17187	0	6036	15029	6243	3735	6333	13746	6366	0	13023	25965	86646	24069	108762	3915	5436	132723	50409	24651	26475	31899	17277	0	0	18684	173835	75204	0	42654	41682	106146	101712	118002	18450	16020	11160	325875	8892	95472	0	3429	119234	Phytochemical	0.6818182	1.0454545	0.045454547
12	C22 H23 O15 N1	542.1141	542.1151	0.32861617	542.1142	6977	7666	10261	6109	17144	7848	0	4210	25345	6126	9157	5020	32319	3348	2702	0	6090	18791	22972	8771	15573	26529	9225	0	0	0	0	0	1367	2313	1354	1533	3779	1711	10366	1296	1609	6175	1924	0	11387	10172	0	0	0	16819	60159	0	1863	4212	9500	5300	8511	0	24861	26537	9226	2061	0	0	0	5121	37034	20742	8806	14564	7485	0	0	0	3937	0	2154	1183	2663	1375	0	2113	6017	21568	5012	22695	950	0	29613	5653	4633	6292	5880	0	0	3391	4099	35326	12067	0	8693	9267	22997	20847	28389	4131	4247	0	44325	1498	25136	0	2472	27690	Phytochemical	0.6818182	1.0454545	0.045454547
26	C22 H23 O15 N1	542.1141	542.11505	0.13905606	542.11414	3599	4986	5276	0	5793	6908	0	0	10078	3734	0	0	12044	0	0	0	0	9626	7134	5846	8312	10970	0	0	0	0	0	0	0	0	0	0	1453	0	5878	0	0	0	0	6383	5983	0	0	0	0	24576	66956	0	0	0	2972	4269	5510	0	6920	6195	0	0	0	0	0	10261	9811	7457	0	5379	0	0	0	0	5359	0	0	0	0	0	0	0	0	6919	0	29947	0	0	6227	0	0	0	0	0	0	0	0	7535	0	0	4133	0	5658	2988	4829	0	0	0	36322	1417	4401	0	0	17403	Phytochemical	0.6818182	1.0454545	0.045454547
20	C22 H23 O15 N1	542.1141	542.1149	0.20776273	542.11414	21801	31350	24705	25983	40269	37620	4350	5178	67311	9642	13943	11856	106320	21084	22614	0	8490	86478	50610	30804	30681	147606	23160	6285	4041	2475	5433	9195	4773	0	5457	4443	19128	5442	21867	0	19299	9138	0	14724	32958	20064	1608	0	0	125139	332022	0	0	4782	29063	23682	37068	714	74601	76659	25329	5910	8385	7047	4197	34542	83460	75042	25164	42216	21645	1386	16170	7792	17379	4350	4989	4044	6846	0	894	11124	8514	65646	14160	237276	0	0	67188	29604	9729	14301	14523	11568	9720	0	17925	86022	50955	0	29556	32532	54309	45384	72468	7986	10299	6216	227085	0	61359	0	0	99198	Phytochemical	0.6818182	1.0454545	0.045454547
28	C17 H28 O15 N1 S1 Na1	542.115	542.1151	0.04288833	542.11505	4238	3818	4985	3563	6920	10190	2440	3071	9474	5295	6285	4334	15120	4138	3538	3269	4096	11952	8915	8090	16912	10816	5762	2972	0	4153	1813	2603	0	2881	3772	1827	4520	2418	7436	4211	2568	1999	3108	7768	7658	3377	2201	0	0	29369	63198	0	3183	4565	3941	4888	5511	0	9927	7257	4033	4604	2908	2574	2659	11843	9645	7580	4060	6184	6183	0	6055	5326	2754	2827	2654	4102	5483	2129	0	5621	2634	8651	3555	27208	2132	2436	7660	4189	1780	3280	4858	1565	4584	2382	3818	8623	12110	0	4065	5926	7851	4081	4295	2832	5027	4471	44531	3932	6306	0	2255	13025	Organosulfur	0.88235295	1.6470588	0.05882353
16	C26 H23 O12 N1	542.1293	542.1302	0.12655348	542.1294	11252	6477	9726	11261	11256	5733	3234	0	13242	49982	24421	1378	25641	4550	0	3757	2306	8802	10335	24030	40267	37601	0	6100	2024	11106	1935	15185	0	0	0	0	2253	1828	68117	1445	2417	2111	2406	20713	23745	4075	350	0	0	18266	24061	0	0	1211	11996	12479	4956	0	11471	12369	5751	0	2023	1712	0	17630	19698	14345	2985	12874	5116	2018	18365	19098	19799	2362	0	0	1982	0	0	2191	6501	27362	6976	16530	1923	12959	13714	4349	6475	5428	4471	0	0	10158	0	37494	54329	0	6997	10010	7496	13773	11123	4304	0	0	17760	0	10110	0	2660	18863	Phytochemical	0.46153846	0.88461536	0.038461536
22	C26 H23 O12 N1	542.1293	542.1301	0.18932472	542.1294	12542	12462	9057	10706	10011	10363	0	2084	14541	40171	17197	0	15859	0	2805	2333	1767	15933	13919	17470	26480	34653	3167	3249	3343	9635	2280	10224	0	0	0	0	2634	0	43494	0	2991	2463	0	19937	10442	2904	0	0	0	23263	32006	0	1370	1664	10079	12036	6593	0	12091	11281	5960	1715	4217	1982	2751	11652	24072	15042	3480	13263	7446	1861	9868	15998	13159	2476	0	0	1101	0	344	1851	5717	19546	5504	18252	1234	8442	16451	8754	5212	5250	5144	2772	5984	6833	5853	35199	50492	0	12171	4375	13362	10488	11919	4052	2532	2196	21056	2231	9574	0	3637	23178	Phytochemical	0.46153846	0.88461536	0.038461536
26	C26 H23 O12 N1	542.1293	542.1301	0.09350362	542.12933	3345	2824	2996	5083	4481	3489	0	0	8402	19684	4587	0	10762	1873	0	0	0	6592	6825	5379	12290	18653	0	0	0	0	0	0	0	0	0	0	0	0	19144	0	3688	0	0	5426	4362	0	0	0	0	11464	12345	0	0	0	3300	2961	2278	0	7250	0	0	0	0	0	0	3667	8628	5899	0	7503	3392	0	0	4029	7767	0	0	0	0	0	0	0	3854	6532	0	6924	0	2875	5707	0	3881	0	0	0	0	0	0	13547	20194	0	3621	0	5279	4574	0	0	0	0	0	0	0	0	0	10077	Phytochemical	0.46153846	0.88461536	0.038461536
18	C26 H23 O12 N1	542.1293	542.1301	0.11085693	542.12933	18081	11663	14511	13905	16809	9125	1305	0	18169	71088	35924	2160	30234	6721	3946	3657	1387	22898	23502	35911	37367	41461	4775	2787	3276	16949	2182	10000	0	1288	0	0	2872	0	83125	0	2939	2921	1897	32078	26988	5008	451	0	0	23837	33784	0	2795	1889	12856	13079	11065	0	20485	16501	5820	2523	3681	3352	3852	23156	36912	14326	4235	22799	6261	2497	20874	26002	29123	1637	0	0	0	0	0	1662	10137	33334	5920	20091	1714	16702	20010	8027	6468	5140	5253	7009	7657	13174	6768	42977	65465	0	15091	15118	15780	16386	16460	4640	2471	4688	20820	2198	9654	0	2548	25305	Phytochemical	0.46153846	0.88461536	0.038461536
12	C26 H23 O12 N1	542.1293	542.13025	0.16581815	542.1294	0	2857	0	0	4464	0	0	0	3242	16308	6154	0	5943	0	0	0	0	2136	3211	10325	11818	9893	0	0	0	4544	0	0	0	0	0	0	0	0	26993	0	0	1328	0	7722	0	0	0	0	0	4607	5765	0	0	0	2187	2707	2374	0	3012	2589	1185	0	0	0	0	4325	11213	3899	1543	4966	961	0	0	10829	8197	0	0	0	0	0	0	0	0	0	0	5467	0	2773	5468	825	2912	1042	0	0	0	0	0	13651	11311	0	2263	2354	3257	4873	4114	0	0	0	0	0	3557	0	0	9760	Phytochemical	0.46153846	0.88461536	0.038461536
20	C26 H23 O12 N1	542.1293	542.1301	0.14070046	542.1294	14436	9686	14027	10884	13463	7461	1688	0	19893	56076	24804	3076	27035	7878	3514	6437	4387	18389	20627	31126	38477	43766	3841	2772	3150	18901	1982	14851	0	0	3091	1348	2709	2723	69892	3250	3838	3631	2546	25911	24614	5002	698	0	0	30834	33438	0	2378	2542	14357	11957	8421	0	16756	13320	4484	0	2778	4082	5622	20175	32822	16750	5469	17391	7959	2035	20927	19586	16333	1221	1243	0	0	0	0	0	9639	29278	6490	21024	1916	21948	14380	11859	6802	4764	5118	4211	6040	6680	8461	49484	60899	0	11381	13169	14523	14268	15721	0	1099	7055	28700	3023	14537	0	4663	24886	Phytochemical	0.46153846	0.88461536	0.038461536
16	C23 H27 O14 N1	542.15045	542.1513	0.20648311	542.1505	61627	65627	60081	72868	70581	59416	28538	51588	86192	82394	49098	33524	150503	29754	55632	41027	30695	136667	124032	119937	115751	119825	59815	47391	31921	24929	20852	24711	40412	41369	34063	44230	48723	30361	106585	43557	42170	37029	21330	90234	68634	44719	2086	363	0	273774	353039	397	31172	51671	66395	66295	51947	0	110058	67844	35169	33071	49482	29243	45724	84449	118184	78132	33874	67083	45342	20598	50432	35756	48115	42083	36484	44909	32469	39445	508	38008	38845	117365	39235	198334	23057	38078	84098	53470	38225	28828	41487	0	22198	36629	65057	109080	122026	622	66304	83017	70763	46724	62306	42166	30068	46738	296349	32344	78759	393	25792	106289	Phytochemical	0.6086956	1.173913	0.04347826
28	C23 H27 O14 N1	542.15045	542.15125	0.20639399	542.1505	5837	6242	5579	5039	5869	5016	1390	2626	5125	17832	4027	1638	9519	2866	2648	0	0	10562	5557	18312	23717	10169	3543	3549	0	2920	0	0	2558	0	1803	1821	2123	2827	19078	3078	3097	2247	1744	10776	11359	0	0	0	0	46486	67174	0	1745	0	8927	5618	4426	0	4199	2537	1905	2319	2305	1065	2315	11872	5149	4282	2134	5328	4138	2120	9681	12528	11483	3975	2961	3617	3216	1394	0	1786	2088	6822	1729	29060	0	5291	5111	4292	1101	1287	2550	1212	1756	2823	2087	7814	10482	0	7934	9973	6830	2538	2151	3177	1139	3474	45168	2487	4671	0	0	9004	Phytochemical	0.6086956	1.173913	0.04347826
26	C23 H27 O14 N1	542.15045	542.1513	0.14056711	542.1505	7246	5999	6115	5661	5573	7658	0	0	6680	15820	0	3311	9645	2766	0	0	0	9911	5182	14608	18564	10946	0	0	0	0	0	0	0	0	0	0	2512	0	15439	0	1598	0	0	14093	13537	0	0	0	0	60835	78326	0	3472	0	6527	6808	5318	0	6426	0	0	0	3122	0	0	12125	7301	5182	0	6334	2515	0	0	11480	7959	0	0	0	0	0	0	0	2825	6180	0	40873	2220	3718	7557	0	0	0	2843	0	0	4307	0	10551	16096	0	7478	6409	6157	2263	0	0	0	0	52182	2151	5789	0	0	11023	Phytochemical	0.6086956	1.173913	0.04347826
12	C23 H27 O14 N1	542.15045	542.15137	0.2244915	542.1506	36166	33409	34660	35766	36518	19525	19911	30506	49613	52376	41070	22283	62424	11909	29208	19210	34911	52051	63322	66666	84178	89651	37970	29222	13141	11405	16392	13256	31175	22185	24150	20343	31453	22527	73456	22595	25163	27747	21399	46705	64454	21032	1448	0	0	118970	207413	0	24020	25010	34889	40120	28508	0	65394	35928	18050	28427	28755	34637	18444	43256	70315	41815	16489	38736	24306	25409	34698	20169	25211	19284	23304	24656	22453	18169	0	22899	29911	50362	25962	80140	17223	18691	50534	27081	22585	19091	26852	30618	7699	24535	36381	75041	61939	0	32722	46034	47371	33977	43631	29433	16796	27368	204339	19303	46104	0	15134	60751	Phytochemical	0.6086956	1.173913	0.04347826
14	C22 H27 O13 N3	542.1617	542.1628	0.5423334	542.162	10993	5778	4922	8099	6487	4204	0	7033	6690	17576	9974	2989	15397	2289	8846	5112	0	11688	14676	11679	13152	9398	5742	6176	2899	3094	2794	0	6483	2895	7809	0	8974	7971	19350	6497	10978	4753	2865	9307	8533	5773	0	0	0	17933	17869	0	7304	7669	7930	6086	3849	0	9435	7952	3833	6259	0	0	0	7644	8472	6322	3234	10061	7187	4801	0	2048	2822	10788	9817	4239	6861	4955	0	7602	4900	0	5306	16059	4108	5555	3676	2972	3695	2531	4826	0	3918	4089	14307	12632	14523	0	8145	9380	6444	4359	5062	0	6524	3548	26894	5069	6033	0	6535	6732	Peptide	0.59090906	1.2272727	0.13636364
20	C27 H27 O11 N1	542.1657	542.1665	0.17730208	542.1658	21074	23701	20951	20958	20105	15093	5161	5415	30879	102119	48912	2314	36135	15312	4040	9704	2757	22447	27256	61749	68129	43381	8110	11342	10781	45941	4461	30899	4500	3992	4464	3257	11394	3148	115534	3317	10247	6918	3415	48084	37819	8223	614	0	0	39141	48196	0	4078	3414	21330	17799	16148	0	21801	18878	11335	7796	7074	5268	7816	33569	47086	20675	4133	23576	11427	9947	47769	68739	62036	3900	0	3267	2276	3464	0	3018	14821	37760	7765	25448	5625	34176	23112	13879	13391	9545	10895	5792	18010	20016	12913	40276	57103	0	17172	20841	22224	16143	15965	5703	4760	12942	30465	6434	15831	0	7501	31784	Phytochemical	0.4074074	1.0	0.037037037
14	C27 H27 O11 N1	542.1657	542.16656	0.13452345	542.1658	11598	8980	3992	7832	3783	3459	0	3576	7168	43083	21286	1338	12227	4378	2016	2887	0	8972	7403	26124	25385	20794	3963	4739	2607	26806	1148	12100	2992	0	2233	0	1590	1498	53995	2525	4520	0	2420	18985	16075	2947	0	0	0	12516	15478	0	2990	2530	9302	6610	5533	0	7452	6720	2833	4245	0	0	0	12183	11804	6753	3762	7595	3815	4255	22751	27268	28975	0	1137	2391	2695	1690	0	1037	2807	0	2237	7057	4586	9013	7984	0	5713	2389	3344	7219	9173	6796	6511	16986	22932	0	5084	5912	3273	5393	5959	4794	1950	0	0	3421	4161	0	4326	8419	Phytochemical	0.4074074	1.0	0.037037037
12	C27 H27 O11 N1	542.1657	542.16656	0.14974737	542.1658	4238	6772	4266	7421	3324	1773	0	0	4322	23888	13571	1544	5713	1973	1748	1926	0	3260	3271	10690	20124	17518	0	0	2120	10515	1608	0	0	0	980	0	3017	2321	34373	0	0	2141	0	13959	11634	1352	0	0	0	9019	8485	0	0	0	5631	3485	1930	0	3810	3774	1212	0	0	0	0	4940	5169	2149	993	3007	2009	0	0	16497	16143	0	0	0	0	0	0	1369	4304	0	2015	4617	1513	7773	3080	2052	3260	2177	1282	0	0	4787	0	7856	9128	0	5101	4417	3605	4301	4089	0	0	3313	0	0	4046	0	0	3565	Phytochemical	0.4074074	1.0	0.037037037
24	C27 H27 O11 N1	542.1657	542.1664	0.12297276	542.1658	7482	6715	5338	5368	6515	6351	1445	0	11653	32527	14323	0	14101	3941	2398	3100	0	13919	11213	14314	19957	19061	0	0	1534	10285	0	7931	0	0	0	0	3554	1115	46180	0	2424	1597	1949	15685	13068	2791	0	0	0	19648	21467	0	1449	0	7836	4837	5784	0	10316	5946	2410	2341	2997	1017	2668	11969	12697	11058	3856	11540	3854	1442	17457	22747	21592	0	1551	0	0	1247	0	1205	5795	10001	4376	14013	1783	10480	11258	4578	3437	4052	3013	3583	4416	5427	3916	16188	26658	0	4892	6870	7171	5882	5962	3969	1610	2049	14367	1816	6473	0	0	12079	Phytochemical	0.4074074	1.0	0.037037037
26	C27 H27 O11 N1	542.1657	542.1665	0.20231225	542.1658	4468	3358	4005	5051	5515	2500	0	0	5470	21596	7119	0	7365	2808	0	0	0	7463	4295	8487	9907	11412	0	0	0	5873	0	2368	0	0	0	0	1862	0	21460	0	0	0	0	7414	4417	0	0	0	0	6958	9662	0	0	0	7292	3091	3397	0	10481	0	0	0	0	0	0	4523	8955	4482	0	3704	0	0	9174	11654	13558	0	0	0	0	0	0	0	3091	8396	0	6558	0	3692	6695	0	2119	0	0	0	0	4039	0	5877	15742	0	4407	0	3086	4960	0	0	0	0	0	0	0	0	0	9987	Phytochemical	0.4074074	1.0	0.037037037
22	C27 H27 O11 N1	542.1657	542.16644	0.16463746	542.1658	12854	14149	14065	11262	14978	11766	3468	3511	24108	63059	37778	2683	20067	6991	6356	4898	2506	14662	21187	45946	45137	41324	6206	5703	8207	34064	2482	22496	3255	3236	3244	0	6315	3891	76505	3050	6304	5306	3002	32388	24733	5665	0	0	0	34035	31259	0	5309	1671	17237	15454	12186	0	15449	13243	7885	4954	3260	4377	4970	24357	21034	17732	7062	15162	8093	3245	23549	39202	46408	3731	0	2118	1669	2011	0	3501	9396	18510	6433	22430	3649	26093	18217	11517	10778	9312	7284	3371	10859	9234	8412	39576	52671	0	14700	14180	13715	13398	13590	4924	3664	5574	25655	4078	13615	0	4586	27248	Phytochemical	0.4074074	1.0	0.037037037
18	C27 H27 O11 N1	542.1657	542.1665	0.1793244	542.1658	25654	22922	20049	18531	18204	12212	5186	5025	20153	93533	54348	0	22147	13264	3004	7167	5280	23404	21877	62111	61544	47564	6693	10020	9088	45370	3281	42824	4029	3611	5925	6940	7722	0	110118	4866	8843	3898	3570	46277	43358	6654	436	0	0	34597	35760	0	5455	6258	17603	14986	11729	0	27073	19392	8462	10623	8813	5208	8960	27065	25230	17555	6835	23092	10741	3596	49044	55877	68427	5452	3215	0	1833	5281	0	5561	13156	22258	11449	24981	3636	31286	20588	13337	16271	6347	10373	8569	20810	17364	13210	35651	56840	0	16168	17586	19176	22937	11409	5894	2880	11425	23809	5516	15959	0	3584	24404	Phytochemical	0.4074074	1.0	0.037037037
10	C23 H31 O10 N3 S1	542.1803	542.1814	0.4170554	542.18054	7108	5094	5868	5286	6833	2137	0	5098	6025	14036	3600	3123	0	2233	2347	5492	0	4124	7218	10936	17974	16615	2527	5942	4406	5699	3050	5565	3728	0	2759	4222	2353	6052	13286	2640	8876	1937	5442	11082	7788	2680	0	0	0	11542	22204	0	3620	0	7059	5549	3600	0	7085	5657	2611	4731	0	3262	0	7740	9267	4300	2912	6109	3110	7227	0	8969	9692	4785	4275	2675	2556	1856	0	2046	6818	6870	5907	5114	2824	5379	5655	2255	5809	2649	2493	11914	4841	6627	12921	6534	8149	0	3879	6169	4847	5889	5462	5833	2122	4496	0	4938	4027	0	4253	7183	Peptide	0.4347826	1.3478261	0.13043478
22	C24 H31 O13 N1	542.1868	542.1876	0.16302168	542.1869	30139	39287	37593	34109	33704	34657	13769	34925	49043	65600	24322	17706	57099	17131	37552	24480	12707	60467	49402	84120	74960	46113	29200	32711	25871	35835	12175	13987	38257	25575	29608	28235	27912	23633	70094	36610	27569	25088	12568	56667	29445	15711	0	0	0	177055	150084	0	24500	30900	39827	39978	32356	322	52048	35669	17877	25938	29534	14539	24403	51763	43471	34198	14509	31111	22691	12221	26566	57032	30431	36219	25750	34906	15736	20144	0	23366	20749	24113	25818	106925	20052	32171	35076	26216	20740	18197	21884	10788	19699	22555	35095	29696	47793	0	33378	44776	37589	23710	24655	25270	22356	34671	137829	27725	36894	0	16498	58631	Phytochemical	0.5416667	1.2916666	0.041666668
16	C24 H31 O13 N1	542.1868	542.1877	0.16118479	542.1869	139594	134822	134940	140466	106799	98239	81800	171267	138975	246979	103650	78369	196566	57724	147973	123991	84255	197552	199264	334961	255303	199785	136848	149091	116929	127316	0	74863	152413	132800	137007	129667	131164	110875	286060	152321	140509	83145	57993	221099	109115	84475	3372	546	0	481649	375496	0	0	147431	146289	128393	87826	512	198624	99431	62379	100388	161763	63608	153078	152774	142186	121044	55538	104950	98823	55375	118329	152719	124580	145648	127058	173533	92223	113967	0	102270	88965	129806	83708	273178	85716	122538	122542	92133	75349	63298	77842	52127	84267	134707	226908	117683	212813	1180	148116	171931	111591	63270	91509	145336	73685	160697	352943	107436	114210	404	76004	172361	Phytochemical	0.5416667	1.2916666	0.041666668
14	C24 H31 O13 N1	542.1868	542.18774	0.16572626	542.1869	97399	99565	82784	89534	66715	61631	74218	136887	87565	191881	95929	62623	101140	32284	97516	99056	76571	125150	124435	215844	216250	151220	101672	117172	75413	81536	0	76631	106167	108437	78973	115490	97908	71942	214396	100741	80890	66268	50777	132687	107714	65136	0	0	0	299307	283729	0	0	110663	90420	81535	58216	0	116073	59761	35858	95511	139732	67692	125971	118565	104376	80708	43864	68508	60709	53621	87550	106006	85575	87135	0	115143	63809	82759	0	75407	61023	111289	67747	167845	67545	78882	85071	75783	58588	54451	62508	63040	59320	83604	123505	107693	132456	477	99930	126130	69993	39905	61874	120805	60281	143823	336172	72926	72873	0	0	92952	Phytochemical	0.5416667	1.2916666	0.041666668
28	C24 H31 O13 N1	542.1868	542.1876	0.21606524	542.18695	5102	4324	4865	5984	5330	4763	932	4251	3099	15706	4470	2012	6432	1259	2284	3684	0	5545	4480	23605	19713	5166	3304	5001	0	6759	3035	1987	4788	3289	2734	2435	1801	2515	15769	3850	3362	1290	1924	9908	5043	0	0	0	0	28282	24187	0	3309	3243	6653	4169	2593	0	4793	0	0	2450	2814	1546	1724	6391	6229	2315	1446	3117	2846	2691	7193	17639	10746	4470	2550	0	2220	1811	0	1885	2844	3483	3042	13413	1939	6044	3641	0	1160	0	1996	0	2942	2508	2492	4559	4765	0	5097	3845	2344	0	2896	0	2107	3610	19654	2185	2871	0	2052	6716	Phytochemical	0.5416667	1.2916666	0.041666668
12	C24 H31 O13 N1	542.1868	542.18774	0.20665517	542.18695	42942	44993	47649	42737	26480	21859	38954	69686	34942	71865	42350	33927	42641	12013	49099	44085	51637	48718	52765	100308	91108	76095	53149	60794	32085	40038	26117	17664	55350	46240	45637	37998	57251	40708	106562	49848	41695	39241	37314	67822	73558	28370	663	0	0	123257	139736	0	38241	54565	43551	42843	31393	0	54417	33113	19795	40331	62199	54997	38827	60878	47538	34224	20819	31197	29650	47713	57082	42662	47535	47975	39379	59323	35163	40926	0	34137	35058	63637	39773	75419	33377	45546	45366	22617	30849	20426	26816	35600	24581	36536	60703	57125	61995	0	43013	60038	45185	21513	28800	46732	27422	51904	139989	34753	42552	0	32462	38250	Phytochemical	0.5416667	1.2916666	0.041666668
26	C24 H31 O13 N1	542.1868	542.1876	0.23833352	542.18695	8170	8463	9287	7144	5478	6452	0	0	5170	22445	4378	3888	10626	2496	0	0	0	12294	7309	20334	27919	5636	6151	7326	0	7418	2205	0	0	0	2333	5517	3041	4944	16399	5177	5872	0	2125	12721	8349	0	0	0	0	49029	40095	0	3462	0	8779	6622	3463	0	7134	0	0	2527	3265	0	0	11594	6216	4224	0	4573	3686	0	9100	22104	8768	6673	3617	0	0	2536	0	3058	3078	5692	3590	25908	2587	5541	0	0	0	2694	0	0	4108	6109	0	5570	10523	0	8056	6014	5199	3373	0	0	2755	5740	27518	3918	0	0	0	11977	Phytochemical	0.5416667	1.2916666	0.041666668
10	C24 H31 O13 N1	542.1868	542.1878	0.2448572	542.18695	24986	18156	18507	19368	11029	7340	13176	32773	15098	35963	16620	17401	25655	5154	17031	22913	19909	18226	23093	36726	42428	34112	22048	25048	9649	13453	14427	10301	18626	18124	16444	17693	24931	18846	44064	25940	19615	14583	15656	29452	29101	14529	0	0	0	44238	52178	0	25240	22573	24409	24714	11229	0	22619	13453	7948	20440	19495	19546	24809	20298	18378	16075	4618	13659	12183	18018	27593	16392	20086	19591	18812	20904	13304	21669	0	12378	20707	13054	16484	21596	13574	15363	15601	11196	14560	11621	10473	12474	8061	15089	31812	19742	30279	0	22520	28872	13395	10889	13981	22765	14055	29278	36076	16706	12836	0	15232	17105	Phytochemical	0.5416667	1.2916666	0.041666668
24	C28 H31 O10 N1	542.2021	542.20276	0.09192601	542.20215	11269	11092	14125	11723	8329	10856	2621	5346	13959	39298	22493	3462	21859	4410	5271	4918	2672	12441	9775	27820	31477	16328	4157	3499	7310	35925	2826	27307	4460	3530	2735	4838	8833	5755	47151	3739	7764	3351	3060	28671	18050	2459	0	0	0	26106	20944	0	5015	3717	12534	9744	10684	0	12684	9974	4563	5958	7263	3581	6910	15696	11510	9418	6194	12462	6731	3118	33477	49693	54664	4420	3193	0	0	2923	0	4734	8577	12372	6554	12044	4900	19608	16134	5796	8801	6778	6234	7823	4310	8051	10429	17194	21293	0	13579	10422	8523	10957	13683	5972	2571	9048	12408	5639	9030	0	4696	18478	Phytochemical	0.35714287	1.1071428	0.035714287
12	C28 H31 O10 N1	542.2021	542.203	0.14965014	542.20215	5421	4659	3281	7320	2228	2431	0	0	3341	16268	7051	1213	2396	1539	0	2719	3147	2147	3575	16403	21326	6405	2015	0	1589	12038	0	9930	0	3182	2498	3364	4369	0	20314	0	3296	0	3030	11339	10561	0	0	0	0	7602	7333	0	3272	0	4380	4680	1910	0	2673	1856	1054	0	0	0	0	9978	3689	2037	1109	4066	2606	0	0	20117	13902	1224	0	1789	2893	1409	0	0	4139	0	2080	4274	1370	7068	2644	1089	4528	1100	0	9772	3838	3657	4443	5652	6027	0	6906	6244	0	3365	1660	4640	1365	5215	0	2242	1944	0	2340	5525	Phytochemical	0.35714287	1.1071428	0.035714287
26	C28 H31 O10 N1	542.2021	542.2028	0.13982742	542.20215	6390	4690	4069	4995	5635	4064	0	0	4504	19349	7931	0	0	0	0	0	0	0	0	14351	14308	8844	0	0	0	16145	1833	5558	0	0	2796	0	2845	2615	17036	0	2792	0	0	14162	11674	0	0	0	0	7123	7205	0	0	0	5798	3485	3568	0	7625	0	0	2224	0	0	0	6106	6458	5416	0	8048	3178	2204	17180	21626	29395	0	0	0	0	0	0	0	4604	8526	3233	0	0	6246	6897	0	5330	2922	0	0	4014	4326	0	4537	9061	0	4087	0	2518	3257	4873	0	0	0	0	3649	0	0	0	8004	Phytochemical	0.35714287	1.1071428	0.035714287
14	C28 H31 O10 N1	542.2021	542.20294	0.15831302	542.20215	6146	9798	5106	5093	3175	3951	2673	3841	5912	26637	15529	2298	6090	2620	1684	0	4742	3282	6627	30843	18958	10960	3671	0	3465	21547	1048	12535	3555	3078	2766	0	4083	2578	38640	0	6576	2374	3891	18009	16433	2510	0	0	0	11636	10470	0	5006	3830	6089	8994	2284	0	3714	4610	3350	7652	0	0	0	11394	4943	4057	2052	6279	3595	8715	15681	37195	25701	1748	3348	2461	3150	4055	0	2423	6841	0	3003	5587	2418	9333	4031	5337	6750	3744	3788	14939	0	8553	13366	9496	18198	0	7625	11980	3445	4688	6088	0	1998	7699	0	5071	3842	0	2840	5436	Phytochemical	0.35714287	1.1071428	0.035714287
0	C21 H35 O15 N1	542.20795	542.20874	0.24207547	542.20807	0	0	2104	0	0	0	1474	1414	477	0	0	0	0	0	1176	0	0	0	1204	0	0	0	0	0	0	0	0	0	1731	0	0	2508	1321	2962	0	0	2935	998	1327	0	0	0	0	0	0	0	0	0	1401	0	0	1785	1061	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1012	0	0	0	2371	1754	3087	0	0	0	1157	0	0	980	0	0	0	0	0	720	0	0	0	15558	58681	0	0	0	0	0	1789	0	0	0	0	0	0	0	0	0	334	0	0	Unclassified	0.71428573	1.6666666	0.04761905
14	C25 H35 O12 N1	542.2232	542.2241	0.13977587	542.22327	59934	73369	58263	61319	40378	36061	49098	101654	49476	92256	56696	42165	53843	21218	79712	87856	60991	62074	68577	129377	103337	70289	69607	108718	64417	63005	42761	52304	84286	87335	66267	85719	77940	57774	105878	90973	58792	55170	47728	73507	62568	46969	0	0	0	121321	100525	0	60513	95693	59098	53012	38171	0	69428	40027	26654	72040	101493	45748	104660	66470	55620	49355	27006	49311	36520	44391	70850	70767	52361	70782	69148	83661	58480	64904	0	58400	55207	53185	55779	54796	49348	51171	48637	40767	53627	36255	45049	45121	42142	55056	98815	44219	68271	0	53227	101629	37300	31279	42079	100238	46159	106413	80022	60969	42574	0	51673	47280	Lipid	0.48	1.4	0.04
26	C25 H35 O12 N1	542.2232	542.224	0.17824608	542.2233	7437	5964	6854	10299	7329	6769	2517	6958	7177	25695	4049	3313	13204	2396	0	6370	0	12601	10055	25614	27988	5896	5985	9157	0	11288	1910	5785	8279	5643	5309	4768	8331	8232	22952	7941	10023	4638	2955	12144	6861	0	0	0	0	23703	17523	0	5017	6753	9774	7543	4127	0	11508	0	4460	5788	6084	0	5601	8351	10250	6874	0	9836	5017	3016	5794	27698	14125	8138	6197	6835	0	5590	0	6765	5616	0	0	12726	6367	8610	7746	0	5805	3590	4839	3746	7485	7112	10174	5168	7515	0	9764	10185	8708	4033	5735	5822	5870	8937	13141	6098	5860	0	4758	19467	Lipid	0.48	1.4	0.04
10	C25 H35 O12 N1	542.2232	542.2242	0.3152663	542.2234	11793	10612	12245	11102	6243	6790	8542	19241	7485	19023	8709	7129	10460	5201	8905	14791	11579	8313	10854	24100	23096	16016	14295	20379	10019	9402	6701	3792	18170	12765	13514	13688	16631	13402	23687	14401	14903	10056	10683	13199	10791	5394	0	0	0	16933	19667	0	16923	18774	9622	11452	6529	0	8805	6580	4836	13281	11806	8649	17659	8184	4746	7200	4637	8048	7159	12094	0	8890	9589	14503	11972	16858	7643	11810	0	7816	10038	6512	12075	8594	11306	8990	5539	4775	9506	3704	5753	10266	7048	13552	19545	7548	10934	0	11717	16692	5393	6322	7279	18232	6430	16417	0	13458	5768	0	9843	7726	Lipid	0.48	1.4	0.04
12	C25 H35 O12 N1	542.2232	542.2241	0.19133471	542.2233	26159	22508	27587	21193	10701	13145	20358	50776	16325	26096	21715	20257	22971	8272	29867	36039	23340	19685	28460	49844	41844	31208	33778	34470	25239	25942	16624	12786	33905	31451	27285	21998	30771	26494	49860	31805	23006	25861	26530	35533	20583	16150	588	0	0	54669	47003	0	27689	37226	24571	24462	10899	0	30808	13527	10390	29118	28024	23499	26639	23404	21466	17053	10291	21127	15588	22603	26795	28704	24859	25442	30330	34418	21507	26166	0	23840	24457	22686	22468	23574	25548	21343	18440	17762	24749	8463	16376	21752	19160	34751	35244	21032	27854	0	25111	35301	13981	11345	14906	32800	24032	44949	32435	22084	16167	0	22142	23016	Lipid	0.48	1.4	0.04
18	C25 H35 O12 N1	542.2232	542.224	0.12818968	542.22327	192907	213874	198421	172343	129786	0	112088	280995	165022	328192	154777	114247	245336	83166	223874	200548	93718	246228	264473	430314	341469	195337	218101	259290	201527	192081	90162	122430	270453	223488	211435	202791	217167	207055	366812	253584	216502	151650	85848	278648	116577	123750	4679	478	0	420999	228895	397	203715	229676	191232	195701	125127	804	292282	138618	91454	175338	221895	72854	213744	175703	195979	161650	81244	150055	134221	103119	146242	280945	163547	217169	193333	256195	133568	215857	0	164142	143429	106549	142990	198419	135513	139313	162133	128045	127917	86909	120980	75508	168021	196325	260159	111068	213820	1071	196514	231965	143754	0	109070	221268	130946	248113	220115	162029	127237	439	124902	198411	Lipid	0.48	1.4	0.04
26	C29 H35 O9 N1	542.23846	542.23914	0.09077761	542.2385	5712	7550	7241	6687	6656	5252	2567	0	6696	21567	18613	0	8837	6330	0	6355	0	6621	10631	19697	19140	8667	0	5822	0	34893	0	15572	6148	0	2762	0	5201	4831	20357	0	5724	2674	4035	15653	15601	0	0	0	0	10470	10855	0	4242	0	7205	9700	6601	0	5182	8484	3718	5284	6332	3036	7770	9258	7249	5342	4353	8664	6428	4333	31124	38668	43299	6431	0	0	0	0	0	0	6924	0	5145	5857	3638	12082	10597	0	6185	4641	3060	4581	5414	5320	8940	7107	8437	0	7176	9175	4132	10283	10021	8358	0	6601	0	5998	6694	0	4191	8205	Phytochemical	0.31034482	1.2068965	0.03448276
16	C29 H35 O9 N1	542.23846	542.2393	0.16299269	542.2385	7949	9513	7780	8672	3958	3345	4077	7795	6328	14803	13331	6038	2075	3291	6210	12033	8143	2913	7612	26664	23534	13040	6160	9718	7039	23792	4091	14904	5976	8192	6660	9630	12823	6295	22036	5387	4992	4410	8344	13728	15504	7833	0	0	0	6532	9418	0	7074	7043	10479	10374	4985	0	4605	4632	1264	10237	5300	8161	9632	5699	4877	1371	2372	4099	4728	12716	19346	24455	24425	8903	8097	6865	7550	10479	0	6965	8942	8178	2594	5451	6617	13288	2676	2494	15244	3218	3774	0	17367	9639	0	10294	14131	0	8367	5135	3415	4987	3720	8098	4610	5794	5279	0	2783	0	8169	3953	Phytochemical	0.31034482	1.2068965	0.03448276
2	C22 H39 O14 N1	542.2443	542.2456	0.29594857	542.2445	14061	15592	10980	12297	8613	46720	30855	5317	16764	509	4975	90988	12518	14116	61590	3078	14033	17721	24304	0	524	2508	38497	6432	9041	0	9718	1068	21522	4785	11703	23229	11861	77266	0	15469	7760	64299	15317	0	0	14388	388	0	0	978	0	0	11943	2338	12569	14023	9574	0	26190	1271	64335	12392	279	0	5205	224	7351	41160	35809	24919	13339	33695	916	582	778	42285	29558	5948	3100	11656	0	71235	12885	8085	37858	0	0	0	11844	27995	8298	33454	87953	6536	2991	1462	7373	837	0	0	13181	13464	8815	1789	2643	9222	82513	481	378	11578	2188	0	12026	13784	Unclassified	0.6363636	1.7727273	0.045454547
4	C22 H39 O14 N1	542.2443	542.2456	0.47408056	542.24457	2557	4194	3071	2520	928	17142	1786	2281	3334	0	0	6630	17532	1124	1425	1524	5021	22370	7561	0	0	1334	904	1301	1304	0	1916	0	3840	1361	1561	2737	2823	10239	0	3046	4823	1184	2902	0	0	4285	0	0	0	0	0	0	3215	1145	3443	3564	2642	0	4031	416	14737	1016	456	0	2018	0	1344	9086	8402	44713	3841	8214	0	0	0	11272	5429	2463	0	2525	0	4590	1970	9043	3715	0	0	0	2459	7295	1033	10426	9680	2084	23106	7432	2152	0	0	0	4298	4070	4299	514	854	2683	4666	0	0	2165	811	0	1744	9867	Unclassified	0.6363636	1.7727273	0.045454547
18	C26 H39 O11 N1	542.2596	542.2604	0.07524129	542.25964	108978	96688	100649	103840	67171	66059	79585	168057	83201	121002	71518	79591	123061	43699	129093	141401	81607	113137	153390	177204	131253	86081	125302	146976	121258	83321	64786	72859	174598	116763	108421	124770	141015	103015	139234	157175	115099	98989	66952	94102	56274	72601	3055	0	0	123357	72515	0	125992	135517	102810	101344	65537	548	142755	81497	52546	123870	114785	51819	137207	73804	96568	91896	44133	78372	72592	77784	72630	122136	76709	104573	105631	149282	92850	120596	0	90902	105251	55556	96802	60645	86197	67582	94506	80995	91883	57093	66837	64512	106821	120443	162064	45354	74766	0	109832	116636	61370	61432	72523	142652	86894	141424	64719	100582	65320	0	70192	91551	Lipid	0.42307693	1.5	0.038461536
22	C26 H39 O11 N1	542.2596	542.2603	0.09654282	542.25964	117622	100274	98103	121257	98965	100833	53801	152342	130574	219358	70104	56561	156351	62678	140601	105804	43686	179964	170106	235926	166156	123398	128056	138123	140177	84671	43915	69497	154048	0	126530	138690	133552	108895	259366	137378	167310	92565	35791	132564	39266	65456	0	0	0	163621	68111	0	114356	113915	114481	128524	81458	261	216186	95124	55952	117325	138831	30757	131574	80018	150016	129153	49124	106946	76586	36690	69751	180753	89991	131511	111552	0	0	97829	0	99252	97269	34192	79742	72729	73407	0	91084	75907	85223	49329	78227	41869	120911	166951	163218	46818	100891	0	115095	128539	74337	70678	65839	136136	75780	134534	95157	117137	84238	0	64010	168061	Lipid	0.42307693	1.5	0.038461536
26	C26 H39 O11 N1	542.2596	542.2604	0.10655489	542.25964	8343	12814	13428	8346	10849	7059	2964	13728	11203	24064	6380	4544	18998	3660	10617	7804	0	15177	20027	23965	20526	7610	11913	9748	6678	9197	0	3203	12635	8558	8398	6425	10388	8912	25754	8812	12579	5208	3500	11703	4585	7851	0	0	0	13997	7153	0	9660	6572	8825	10168	7572	0	21631	9062	5127	11015	7477	0	8425	5620	16917	10351	2727	10832	6090	3879	0	25464	10890	8686	10197	8723	0	8293	0	7904	10091	0	7806	6967	5398	5038	7760	0	5031	2638	7012	4151	9984	11280	10580	3501	5347	0	8898	8655	5685	7942	7480	6881	4745	7292	7703	5380	6208	0	4661	19655	Lipid	0.42307693	1.5	0.038461536
14	C26 H39 O11 N1	542.2596	542.2605	0.16014965	542.2597	19045	18194	16081	18102	6157	10461	27480	35698	11681	17333	11013	18436	11082	7474	22617	43353	19586	10965	16906	34264	18074	13059	25769	24998	22412	12863	25540	11943	34568	37051	26178	40207	24349	26433	18166	32705	22677	20403	20957	13455	12927	15926	0	0	0	22753	13920	0	44494	30452	19209	15753	5125	0	18757	13726	14351	26502	17143	9835	27139	10742	13066	12535	9699	8718	11488	19093	17853	14184	11600	28855	27117	29790	32665	30295	0	20147	22548	16243	17875	11043	13151	9634	12306	15019	18793	9689	21383	20370	22767	14078	31552	9452	15266	0	18335	25528	7359	9475	13527	33615	17173	39753	0	17056	10086	0	19933	7912	Lipid	0.42307693	1.5	0.038461536
24	C26 H39 O11 N1	542.2596	542.2604	0.066597804	542.25964	41151	39919	38876	37193	32854	40445	9790	43056	45192	96414	25173	17009	75270	22571	35408	28503	14492	70892	71024	96271	65276	37908	43488	46559	38402	33053	12675	21409	48195	33811	40285	39414	37959	0	112176	0	64752	32466	13398	52276	20471	21083	0	0	0	57506	23429	0	0	34548	33395	0	29268	0	81376	31194	16689	40298	39066	9425	39214	29935	59368	46101	17148	45372	29066	12290	28153	76989	26981	0	36099	39563	18738	0	0	33693	34147	11875	30555	32016	25230	22752	38343	21641	25856	19329	25934	13068	40852	51120	52868	15441	34801	0	38660	41619	24829	26344	24982	36917	0	43032	28904	38150	25361	0	21858	66243	Lipid	0.42307693	1.5	0.038461536
20	C26 H39 O11 N1	542.2596	542.2604	0.09783992	542.25964	147868	149143	152763	143294	103827	108211	81443	213946	155262	244025	105862	91889	202754	69940	176148	159902	71175	183088	225629	293335	236898	149607	159082	205348	167406	114165	81657	96728	210662	174399	147501	158210	179707	145590	266710	0	196718	114660	69368	168876	68144	97054	3179	0	0	194973	93473	0	161134	168188	151910	151659	109807	339	247838	121623	76719	155219	175334	0	181203	108445	174249	153602	69717	141312	108127	71338	93343	211305	117432	157816	160376	190502	97774	142418	0	134272	139687	65321	104947	89114	109444	113452	129468	95460	108946	78741	102494	69760	161247	180311	220049	63069	117096	0	160110	176602	106788	86450	105884	191097	104345	210735	106873	150256	110385	0	103887	169978	Lipid	0.42307693	1.5	0.038461536
26	C30 H39 O8 N1	542.27484	542.27563	0.09925018	542.2749	14985	12078	12379	9775	9300	5838	3233	19495	9981	15666	20744	6051	10825	6384	0	10145	8606	7506	15864	25158	28139	12455	9069	17733	12779	48794	5177	23467	12026	10637	11113	11372	13530	10721	22909	12107	16808	7258	8067	24837	21014	10501	0	0	0	11692	10271	0	14469	12463	14975	13982	10268	0	10713	10462	6152	13677	9860	5997	17983	14806	9369	8220	6683	10644	15020	6496	51893	43974	50080	12101	10599	6681	0	9391	0	7935	13697	9253	12212	6148	9890	22130	15668	0	18901	7246	10653	13729	9701	10827	16115	12047	11118	0	10111	16169	5616	12637	12205	17148	5269	14599	8506	11530	8576	0	8653	8957	Phytochemical	0.26666668	1.3	0.03333333
24	C30 H39 O8 N1	542.27484	542.2756	0.10023104	542.2749	27656	27827	26222	26308	23440	15987	10909	28574	18539	37191	42310	15967	23747	16593	20167	40063	19009	18835	31206	58020	59561	20824	23787	29701	24070	91193	10482	43923	23662	23290	20328	25159	37265	21809	40368	27739	30172	18063	20766	50656	41955	17546	0	0	0	32711	24050	0	28537	25723	27266	25170	19608	0	21571	18326	12015	31958	21085	15539	33385	29916	15808	16438	7511	19485	24358	24290	76622	90717	83949	24380	20704	20005	16839	23035	0	15982	25491	18518	18526	20233	16914	36743	25161	16759	29875	20376	22195	34036	33752	38453	51398	24405	19778	0	29898	32770	13834	19634	23848	34301	11956	34176	17363	32466	19642	0	21493	15834	Phytochemical	0.26666668	1.3	0.03333333
22	C30 H39 O8 N1	542.27484	542.2756	0.099842966	542.2749	25919	23877	26262	24354	25542	15251	15398	27792	17849	25730	28628	14333	9001	14827	18013	39480	29782	14475	19236	55779	39041	30901	21923	31150	24849	68469	11653	33638	26861	24229	18651	27699	26266	28934	31011	30869	26322	17991	28138	39344	36911	17930	0	0	0	22824	23273	0	19564	26033	27350	26394	14961	0	13766	12265	12484	33823	20397	21147	35544	23292	13303	14657	10041	18368	18325	30938	55693	67986	74690	26176	21422	17625	19483	19842	0	20351	31228	16290	17353	14903	22003	26861	17565	14274	27951	19521	18800	40339	37345	26023	47361	18271	24029	0	22806	29573	13822	15066	20205	39440	14836	31137	12678	31203	15289	0	24500	14536	Phytochemical	0.26666668	1.3	0.03333333
8	C24 H39 O9 N5	542.28204	542.28235	0.5608052	542.28235	1167	0	0	1175	4159	0	0	0	0	0	0	0	988	4020	0	0	0	0	0	0	0	0	0	0	755	0	0	4468	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	916	1508	1173	0	0	0	2363	0	0	0	0	0	0	0	0	0	865	0	0	0	0	0	0	0	0	0	0	0	0	35844	0	0	0	0	0	0	0	0	0	0	109551	33517	0	2695	0	0	0	1523	0	0	0	0	0	0	0	0	2041	0	0	0	Peptide	0.375	1.625	0.20833333
6	C24 H39 O9 N5	542.28204	542.28314	0.33724603	542.2822	1101	945	1018	601	492	1521	0	2061	0	0	0	599	0	0	1253	920	0	0	0	0	0	0	1034	1507	1062	0	723	6532	1736	1289	0	889	1512	705	0	2459	0	797	0	0	0	0	0	0	0	0	0	0	1289	1720	857	1034	0	0	0	0	610	828	0	0	971	0	0	0	0	0	0	962	0	0	0	1269	1354	1658	0	750	0	918	0	35314	0	0	0	0	0	0	0	0	0	0	63813	22908	1437	2639	0	0	1290	1410	0	0	0	1578	0	0	0	0	0	0	841	0	Peptide	0.375	1.625	0.20833333
18	C27 H43 O10 N1	542.29596	542.29675	0.0760381	542.296	18276	12877	15228	14299	10676	4369	20469	27771	10039	5145	7099	12532	15848	7381	16679	23904	24481	11683	27188	15818	8315	10069	21167	26484	20874	10568	13346	6931	32379	18168	22758	25991	25407	12082	5087	25229	21102	19312	20656	6603	4854	13189	315	0	0	14519	6140	0	24851	23511	16972	10098	6892	0	22355	13198	8626	19642	12323	7916	17572	4543	14970	10159	7686	14076	10225	23876	7902	7611	7016	15772	13776	29528	25533	23162	0	13089	20104	5432	17229	8335	14056	3902	16390	11462	20038	8225	11503	11529	15479	12146	29884	5158	10034	0	17930	14600	10215	13004	16633	24625	16196	20756	4994	15923	14679	0	16046	9946	Lipid	0.37037036	1.5925926	0.037037037
22	C27 H43 O10 N1	542.29596	542.2967	0.045313343	542.296	66069	61767	62550	63367	56463	51225	55057	91993	64571	79206	40392	37464	79962	28110	82866	60515	37054	96835	107360	99451	70271	52160	75685	72718	78346	32625	45866	40747	90407	67133	75594	76741	91291	67124	92187	89568	100475	54473	33876	55739	21889	41548	0	0	0	59627	22774	0	75557	74959	57055	57691	55366	0	121360	67714	34475	80523	67823	20629	78463	33598	83805	69651	29818	68651	55031	37689	26522	73351	31242	69806	64454	78402	38928	65396	0	56112	56575	20957	45718	28622	72155	38424	57964	47589	53668	35553	49757	25066	84507	96552	96616	21094	38353	0	59930	64082	40089	48754	54924	91076	44494	73102	34522	70911	54664	0	48909	84188	Lipid	0.37037036	1.5925926	0.037037037
24	C27 H43 O10 N1	542.29596	542.2967	0.046336003	542.296	49794	45654	45045	45364	40542	38424	37089	64007	48583	80231	23304	22353	76740	27118	48611	43634	20958	81925	102349	80422	65601	44652	42857	49112	52500	22687	22304	27389	69809	46866	56871	57799	70345	43751	107153	62800	90566	41067	15119	48793	11541	32665	0	0	0	42309	11608	0	55734	40396	51081	46554	39915	0	94976	41870	25796	51265	56547	9966	49795	31801	65108	51920	17764	59348	40442	18012	19507	68489	19908	55263	46673	59970	20023	41405	0	40256	44421	10547	34462	18738	45375	31241	46749	39256	39239	20334	42638	16059	67217	80907	82167	14637	32372	0	40488	53962	26648	34332	31599	58806	29255	68482	26938	51107	27574	0	32671	67876	Lipid	0.37037036	1.5925926	0.037037037
20	C27 H43 O10 N1	542.29596	542.29675	0.09509256	542.296	38978	36057	36242	42197	31756	27146	38952	62082	34574	35726	16525	32396	46905	25162	48704	55279	31571	46756	72709	42745	34375	33312	46342	59096	45793	19478	38600	19039	59154	58113	44969	45107	49155	39272	40867	57985	45493	40475	35204	25580	9806	37194	696	0	0	28602	17301	0	54478	47137	35904	38145	35318	0	64296	34104	23437	41966	39382	15934	51508	17946	42940	44009	22912	39811	25906	34944	16880	35079	19232	38927	46779	56985	40064	42710	0	33707	52268	15387	32352	15288	47280	23115	45081	23001	46613	22133	30912	25802	48120	41900	58799	13710	22823	0	46768	51754	22209	33939	39327	56209	36334	52114	24609	40990	39136	0	34646	48387	Lipid	0.37037036	1.5925926	0.037037037
26	C27 H43 O10 N1	542.29596	542.2967	0.07024169	542.296	9218	7634	13045	10602	16371	10109	5398	13850	10907	17800	5420	0	26971	10507	14344	11008	0	20862	31611	24147	18723	12777	10102	15319	17755	5910	4503	6169	21919	13101	10955	14368	19619	10246	25917	15467	24899	11343	6885	13397	0	10320	0	0	0	11449	7034	0	21488	10180	9126	13494	6677	0	29676	14538	7035	12676	12891	0	13260	6542	22150	12624	6021	11953	9220	7004	0	19121	7628	12936	13681	16633	6268	14199	0	10965	11218	0	8355	4323	9525	7499	8801	8344	13333	5649	9419	0	17680	24078	20429	4102	8925	0	11022	11384	4715	12072	9754	14844	6701	14217	0	10310	8245	0	7454	16386	Lipid	0.37037036	1.5925926	0.037037037
24	C31 H43 O7 N1	542.3112	542.31195	0.12419726	542.3113	13432	13318	9077	8278	3331	5466	8339	24970	6903	5545	11394	8190	5118	5054	8999	22092	17765	4617	8691	13772	13879	9260	7937	10961	11333	26615	9506	11622	12247	28681	14570	16438	16716	10178	11540	18064	15381	6348	21522	9057	14539	9750	0	0	0	7828	4715	0	21344	24216	13562	12501	4863	0	4398	5820	6643	19015	8715	11508	16087	8417	2598	6436	3637	2173	7791	18706	19664	13883	19393	13514	14142	14854	11146	12603	0	10485	10410	6073	7350	3997	7771	12423	8240	3925	19611	6786	8123	15521	15313	11501	18139	5971	6011	0	10121	12023	5174	5967	6014	24238	7734	18830	4146	18023	4830	0	10121	4562	Lipid	0.22580644	1.3870968	0.032258064
26	C31 H43 O7 N1	542.3112	542.312	0.063530065	542.3113	8694	10934	12142	9228	6869	6502	5494	13553	4993	5093	12325	7935	0	4713	8124	14692	13014	6553	11497	10088	11930	10370	11030	14143	17977	31054	4190	14858	18636	20595	10383	14800	18065	12955	5295	14281	19232	9411	8030	15234	13858	7829	0	0	0	5542	0	0	14231	20743	11340	10571	6341	0	5914	8567	7072	15046	9302	5406	13642	8693	4186	5057	0	5178	8749	12465	23786	19123	18000	12326	12585	13727	9924	13649	0	6998	15554	8073	5756	5657	7934	10192	6095	0	16188	5800	7665	13610	14968	15782	16447	8449	7110	0	9123	10641	4311	16435	14775	21120	5989	15519	0	14905	9486	0	12331	3449	Lipid	0.22580644	1.3870968	0.032258064
12	C25 H43 O8 N5	542.3184	542.3191	0.18990013	542.31854	3868	3818	3416	2716	0	2156	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2332	2287	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	144792	0	0	0	0	0	0	0	0	0	0	478896	254869	0	18961	1152	0	2529	3496	1324	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.32	1.72	0.2
10	C25 H43 O8 N5	542.3184	542.3192	0.26537865	542.3186	5281	5884	4693	5127	0	19932	0	0	0	0	2482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52995	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4827	6583	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	287816	0	0	0	0	0	0	0	0	0	0	728346	261908	0	30541	3960	0	4488	5875	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.32	1.72	0.2
8	C25 H43 O8 N5	542.3184	542.31976	0.28798616	542.3186	1876	1561	1302	2576	3987	3792	0	0	0	0	1337	0	0	4639	0	0	0	0	0	0	0	0	0	0	0	0	0	36757	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3068	1309	0	0	0	5728	0	0	0	0	0	0	778	0	0	1348	0	0	0	0	0	0	0	0	0	0	0	0	161714	0	0	0	0	0	0	0	0	0	0	231248	95256	0	13935	1240	0	1937	1245	0	0	0	0	0	0	0	0	1762	0	0	0	Peptide	0.32	1.72	0.2
28	C33 H44 O4 N1 Na1	542.3241	542.32465	0.24098723	542.3242	0	0	0	0	0	0	1671	0	1482	0	0	2045	0	0	15004	0	7227	0	0	0	0	0	0	0	0	0	3166	0	0	0	0	0	0	0	0	0	0	39901	5098	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13242	0	0	0	0	0	0	0	0	0	2266	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1263	0	0	0	3215	0	0	0	0	0	0	0	Lipid	0.12121212	1.3333334	0.03030303
22	C28 H47 O9 N1	542.33234	542.33307	0.09902886	542.3324	8698	6393	6839	8952	8088	6471	18402	9916	7933	1749	1334	5364	6539	5278	9600	7628	8608	7132	10746	4692	1785	2934	3882	8338	11108	2661	15007	3025	13774	12460	8714	8971	12485	7637	1822	12948	12950	6290	8895	1659	0	6326	0	0	0	2888	2049	0	9456	6444	4789	8709	5874	0	13021	10556	2952	8320	6419	2926	5781	0	7950	9721	4385	6021	9080	9093	0	0	0	3084	6718	12717	7827	10525	0	7316	5217	1587	7016	1821	20007	8367	6422	7477	9112	5289	5513	5475	8221	6096	6991	0	1730	0	7026	8214	3698	8131	10115	15362	5663	7153	2377	3622	5177	0	4881	5087	Lipid	0.32142857	1.6785715	0.035714287
14	C28 H47 O9 N1	542.33234	542.33307	0.12042105	542.3324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20650	0	3157	0	0	0	0	0	0	0	0	0	0	1620	0	0	30763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2211	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.32142857	1.6785715	0.035714287
26	C28 H47 O9 N1	542.33234	542.33307	0.049409233	542.3324	7452	7005	6919	6727	8574	6129	27757	13250	8440	6651	2152	0	12169	10531	9498	5084	0	8525	21718	5623	0	3979	5994	7281	12714	0	16276	6135	12520	8710	7330	13004	14554	8083	10460	14639	18728	6221	6389	3680	0	7425	0	0	0	0	0	0	14311	11122	10476	7291	10861	0	15264	9406	4124	11792	12765	0	10281	4759	12391	11608	5838	11530	10101	4287	0	3805	2315	5701	9719	11347	0	8652	0	6274	4936	0	2979	0	17530	6015	9330	11883	8413	3620	8326	3468	15274	20004	12590	0	0	0	7885	9910	5321	8166	8168	19244	0	7091	11379	7639	6885	0	5714	11190	Lipid	0.32142857	1.6785715	0.035714287
24	C28 H47 O9 N1	542.33234	542.33307	0.073582895	542.3324	13126	12130	17151	12424	12775	10390	41663	15124	10848	8006	5108	5291	18632	9526	12010	14071	7242	19590	30890	10193	5329	7590	12805	10824	15034	6138	29063	8275	21623	15604	12683	20650	22859	13636	9383	22235	24482	12730	11384	5652	1577	8628	0	0	0	4530	2010	0	16441	14513	9140	11811	14455	0	30346	14610	6132	16795	13229	3844	17383	2473	18989	17048	9832	17893	15086	11024	1617	4538	1616	13489	13915	22672	9564	16145	0	9910	10587	3963	7502	4021	26398	18003	13844	13241	14661	6555	10709	6839	21856	22537	17402	2469	5406	0	12343	12752	7864	11491	11731	18893	6566	16563	11997	12669	13738	0	10957	15149	Lipid	0.32142857	1.6785715	0.035714287
16	C28 H47 O9 N1	542.33234	542.3326	-0.12595491	542.3323	0	0	0	0	5380	0	0	0	0	0	0	0	0	0	0	0	0	21347	0	0	0	0	0	0	0	0	1614	0	0	0	1349	25727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	950	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1806	0	0	0	0	0	0	0	0	Lipid	0.32142857	1.6785715	0.035714287
12	C32 H47 O6 N1	542.3476	542.3485	0.25314227	542.3478	3640	1559	2979	3066	0	0	19000	45712	0	0	4039	37580	0	0	17288	17717	7404	0	0	8653	0	0	3309	9915	1501	0	15738	0	18595	14350	22400	8663	5430	8428	0	12672	1550	15183	2601	1733	0	0	0	0	0	0	0	0	16498	40482	0	2428	0	0	0	0	0	7485	0	0	0	0	0	0	739	0	1192	15687	0	0	0	12795	8459	4262	11061	9716	0	28140	1174	0	2296	0	0	1842	0	0	0	0	2395	40963	0	0	0	0	0	0	3840	6427	0	0	0	4669	29330	0	0	6061	0	0	0	0	Lipid	0.1875	1.46875	0.03125
24	C25 H51 O11 N1	542.3535	542.35425	0.07983589	542.3535	4735	2007	2988	3650	6909	12240	0	0	2149	0	0	0	11029	8320	2570	0	0	0	2688	0	0	0	0	0	2606	0	0	0	0	0	0	0	0	0	0	0	0	1055	0	0	0	24214	0	0	0	0	0	0	0	0	2535	2621	14358	0	34599	0	52777	0	1249	0	0	0	1693	36901	117657	58710	112323	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10821	23369	0	3616	3946	0	1358	0	0	0	0	0	0	2944	6797	0	0	0	0	0	17392	0	4851	0	0	0	Lipid	0.44	2.04	0.04
26	C29 H51 O8 N1	542.3688	542.3691	0.08474536	542.3688	0	2619	0	0	0	0	51702	0	0	0	0	0	0	3518	0	0	0	0	0	0	0	0	0	0	0	0	34014	1993	6847	7463	2220	0	2638	2659	0	6471	2031	0	0	0	0	0	0	0	0	0	0	0	7360	0	0	0	0	0	0	0	0	2013	2672	0	0	0	0	0	4404	1516	3962	2267	0	0	0	0	2536	0	0	3765	0	0	0	0	0	0	5643	4854	0	0	0	0	0	0	2179	1531	0	0	0	0	0	0	0	0	0	0	0	9787	0	0	0	0	0	0	Lipid	0.27586207	1.7586207	0.03448276
28	C30 H55 O7 N1	542.40515	542.4059	0.28451127	542.4053	1297	1431	0	0	0	0	10157	24985	0	0	0	0	0	0	0	100004	0	0	0	0	0	0	0	0	0	0	4544	0	2995	37615	179085	1368	0	3652	0	8427	0	0	0	0	0	0	0	0	0	0	0	0	2227	61476	2536	1592	0	0	0	0	0	8530	0	0	10694	0	0	0	0	0	0	0	0	0	0	16715	2588	0	3829	16475	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1793	3332	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.23333333	1.8333334	0.03333333
16	C22 H22 O16	543.0981	543.09906	0.34916854	543.09827	8358	8956	13990	6458	17482	11962	0	0	27826	4467	3377	3634	42438	4474	0	0	0	16926	16832	4304	9860	24532	4018	0	0	1504	0	6684	0	0	0	0	0	2810	17772	0	0	2462	0	2464	5846	6448	0	0	0	12522	32720	0	0	0	8814	5410	10274	0	19350	21390	5894	0	0	0	0	2648	42082	27068	6998	21544	6354	0	0	0	3348	0	0	0	0	0	0	2052	6620	11620	5146	15482	0	0	22152	10356	3790	7784	6934	0	0	0	0	22702	14638	0	8684	4012	13114	23780	19994	0	4142	0	19900	0	17904	0	0	39594	Phytochemical	0.72727275	1.0	0.0
28	C26 H22 O13	543.11334	543.1141	0.21686663	543.11346	4303	4174	4760	5460	12324	4578	1422	0	9546	15429	3342	0	20900	4772	2347	0	0	10877	12400	6845	6680	11261	4457	0	0	4751	1659	1400	0	0	0	0	1134	0	18976	0	1656	1680	0	2673	4036	0	0	0	0	4351	6518	0	0	0	4832	5355	3463	0	13390	12499	3348	0	0	0	0	2980	19799	7967	2784	8740	2551	0	4748	7663	6629	0	0	0	0	0	0	1188	8749	7941	4738	5811	0	2147	15325	6827	5353	2442	3184	0	2866	2830	0	8005	16416	0	4657	3922	7795	9093	7643	0	0	0	0	1354	10593	0	1911	15857	Phytochemical	0.5	0.84615386	0.0
24	C26 H22 O13	543.11334	543.11414	0.30271518	543.11346	8238	12569	9836	10406	17655	8150	0	0	20846	31494	8670	0	32742	9289	4222	1859	0	23492	15085	12261	15957	24598	6096	2302	0	7547	2030	5315	0	0	0	0	1506	0	42116	0	2987	3909	0	9365	2951	2962	0	0	0	19519	17687	0	0	0	12209	7894	14481	0	21035	19137	6755	0	1755	2001	1928	5886	40720	17459	5086	19697	4080	0	7373	7697	9208	1266	1051	0	0	1388	0	1721	11211	12956	11547	11167	2001	3700	29888	15571	6907	2472	2925	0	3930	3497	0	22262	39160	0	9264	8868	13888	19867	16768	2050	2062	2274	12439	0	13787	0	0	33202	Phytochemical	0.5	0.84615386	0.0
20	C26 H22 O13	543.11334	543.1142	0.24704377	543.11346	27579	21184	23260	19703	41391	23677	6413	0	46855	78739	24906	2135	68359	20607	11132	6412	2695	46772	50000	42410	40946	61170	11935	4497	6103	10421	3758	11210	1544	0	2155	3296	5117	2386	87365	2293	8276	4929	1598	19466	18331	4972	1012	0	0	42360	45312	644	2224	1784	26355	23009	23419	350	41013	42142	17286	5011	8244	2698	4801	19749	81403	35781	15323	45451	12930	3098	19350	23890	19327	3087	0	1331	1407	0	380	3005	20301	35756	20103	39711	2570	17956	48084	24483	17635	11270	9396	4077	7965	10622	7533	62385	67889	0	29172	20003	38096	45594	52382	7576	5296	3797	30652	5206	33536	0	4614	72307	Phytochemical	0.5	0.84615386	0.0
12	C26 H22 O13	543.11334	543.1143	0.2190504	543.11346	5034	8872	3207	6798	5837	2689	0	0	6462	18192	7513	1151	6476	1644	0	0	0	4466	5908	4399	3283	8524	2285	0	0	3033	0	0	0	0	0	0	0	0	27262	0	0	0	0	3245	0	1466	0	0	0	10906	19306	0	1275	0	3217	2779	2857	0	7721	5067	3051	1825	0	0	0	3383	14034	6493	2686	6829	2124	0	0	0	9937	0	0	0	0	0	0	0	4769	0	4220	5519	0	1170	6552	3633	3754	0	1762	0	0	2706	0	7679	10728	0	7055	3026	7705	9769	7902	0	1337	0	0	0	6240	0	0	8722	Phytochemical	0.5	0.84615386	0.0
14	C26 H22 O13	543.11334	543.11426	0.2588314	543.11346	13289	7735	11405	11803	13184	7672	2521	1446	23361	48835	21183	2979	25023	7606	2305	3212	0	10557	13455	18217	18864	27896	4278	0	2074	7860	1361	8701	1608	1928	0	0	2999	0	55763	0	3333	3867	2317	8086	14361	2507	0	0	0	16435	23627	0	2293	0	9053	9900	6948	0	16290	12572	4175	2767	0	0	0	6200	30145	14882	5955	19790	2847	1928	0	10495	17341	3081	0	0	1473	0	0	1802	9303	0	8574	17848	3490	4102	16011	8541	11120	2665	4778	0	2926	2542	3265	32271	28591	0	7591	8547	17691	21534	25384	2831	2595	0	0	2793	12554	0	3275	23825	Phytochemical	0.5	0.84615386	0.0
20	C25 H22 O12 N2	543.1246	543.1255	0.2862504	543.1247	2174	5382	5843	2980	4283	3797	0	1523	7580	16087	8717	2272	9587	1596	1583	0	0	9322	5154	9103	10395	18678	3781	1965	1882	10264	1825	4019	1499	0	1718	0	3738	0	25585	0	0	3170	1664	13147	14330	0	0	0	0	13330	22659	0	0	1362	7263	2293	2996	0	8616	5463	3508	0	1087	2269	1333	8496	9159	8018	2106	8122	2413	1675	4777	6387	13349	1260	0	0	0	0	0	1253	6034	10335	1386	10054	0	0	7088	3820	4214	2304	2234	7215	2213	3300	2084	17722	21263	0	5422	1925	5503	4078	8298	1853	1172	1309	9200	2738	6686	0	1606	14353	Phytochemical	0.48	0.88	0.08
26	C27 H26 O12	543.1497	543.1505	0.22762659	543.14984	10554	11137	12312	10521	16635	8786	0	0	19691	32075	11897	0	32344	8039	0	0	0	20577	14435	26476	24841	17509	0	0	0	10420	2144	7951	0	0	0	0	0	0	39404	0	2754	0	0	8701	8369	0	0	0	0	10181	15167	0	0	0	6529	6624	9191	0	18467	17467	5175	4930	3122	0	0	7404	28989	14043	5054	15953	3555	0	11659	26908	24695	0	0	0	0	0	0	0	9393	7166	7955	13031	2667	7707	22625	8415	7120	3241	4697	0	2910	0	0	16703	25949	0	9185	10700	14135	22297	14657	0	0	0	11779	0	15807	0	0	24775	Phytochemical	0.44444445	0.962963	0.0
28	C27 H26 O12	543.1497	543.1505	0.28174034	543.14984	6441	5072	5881	6343	9074	5229	0	0	11777	16759	4319	1108	22310	4082	0	0	0	11875	11084	8853	9988	7941	3258	3087	0	7930	2110	3408	0	0	1228	0	2248	1335	21491	0	2383	2095	0	6354	4401	0	0	0	0	5933	5693	0	0	0	5173	4248	5110	0	10777	8726	2112	1487	1600	0	0	4174	16552	5810	3519	12542	1847	1208	6482	17267	13091	0	921	0	0	1408	0	1151	7042	4932	4224	3500	1998	4072	11067	2379	3552	1945	1468	1118	2420	4687	0	7257	12381	0	5140	6545	5325	9952	9345	0	0	0	5261	0	8301	0	1469	13710	Phytochemical	0.44444445	0.962963	0.0
14	C27 H26 O12	543.1497	543.15063	0.15394026	543.1498	13997	21260	22088	18138	17531	9372	6627	6052	17823	68163	38305	5841	17445	9209	7754	10334	0	17530	12283	32085	33647	28581	6411	11266	5149	29819	6213	21355	4848	3899	7137	0	7196	3663	74995	6514	7915	6028	6798	19745	25161	5120	0	0	0	25378	38044	0	10800	5302	18905	16894	8942	0	15872	13325	6096	11996	7322	0	0	11067	20044	12924	7056	14448	8078	8225	25278	34668	40712	6711	9427	5361	5947	7160	0	7724	15257	0	10455	20981	4677	17136	20153	10491	15409	7901	5784	0	5551	10368	8414	31221	27785	0	16365	14149	14790	22230	15927	5833	5106	8081	18527	7319	14125	0	10421	17926	Phytochemical	0.44444445	0.962963	0.0
12	C27 H26 O12	543.1497	543.1505	0.029356744	543.1497	0	8118	4672	7357	3882	1601	4138	2674	5056	21429	16476	3094	7297	2228	1880	2315	5435	3548	4077	10551	8351	11082	3292	0	3085	10307	3159	0	0	0	0	2525	3465	2235	26376	2102	2857	0	2673	7640	16441	1814	0	0	0	7542	8641	0	1571	2765	4121	9961	4124	0	8145	3873	3212	0	0	0	0	0	10291	4759	1917	5055	2977	0	0	10103	16252	2549	3805	0	0	3180	0	2008	4816	0	5285	7135	1792	5087	6953	3003	3392	1742	3027	0	0	0	3634	10931	10754	0	5573	5530	9758	7525	3503	0	1916	0	0	0	3720	0	1758	7168	Phytochemical	0.44444445	0.962963	0.0
24	C27 H26 O12	543.1497	543.15045	0.13571055	543.1498	18444	15457	12102	17544	22924	12827	1839	1778	31377	71745	23528	3614	43153	11029	6885	2760	2154	31071	27606	39419	35832	27323	9905	3142	5027	26876	2284	14150	0	0	4311	2450	3803	1997	69566	0	4181	5318	2094	22434	16822	6085	0	0	0	28017	28617	0	3933	1799	15869	14234	14580	0	26986	24988	8621	7973	4755	1265	2953	13219	44646	23947	8169	36560	10146	2125	30566	34731	37839	1615	1920	0	0	0	0	3291	16353	16184	13713	21833	3647	16293	33496	14930	11890	7008	6637	2146	6703	8334	6268	27931	46798	0	17655	15648	23949	27047	26522	4579	3676	5397	17315	3474	23362	0	5683	48416	Phytochemical	0.44444445	0.962963	0.0
24	C23 H30 O11 N2 S1	543.1643	543.16547	0.83733857	543.16473	1591	2212	2461	2086	3161	1391	0	0	2460	6560	9631	0	0	2182	0	1667	0	0	1631	2873	1845	2682	0	0	1779	14563	0	4946	0	0	0	1371	0	0	5443	0	0	0	0	2219	4906	0	0	0	0	0	2527	0	0	0	1835	3323	1317	0	0	0	1336	0	0	0	1406	2200	1328	1252	0	3857	2035	0	20134	11065	21656	1319	0	0	0	0	0	0	2606	0	1729	2704	0	3049	3379	0	0	1225	1478	0	0	0	0	3025	3064	0	1311	3197	1479	2479	0	0	0	1841	2388	0	2742	0	1392	0	Organosulfur	0.47826087	1.3043479	0.08695652
18	C24 H30 O14	543.17084	543.17175	0.3326464	543.171	30640	31701	32156	37087	21090	23478	17720	36218	36162	53756	19138	12721	42703	9992	25956	21538	7770	40874	38837	50714	42423	70881	27723	23139	21357	0	9662	13115	24623	19640	31537	26921	26153	23219	75418	16042	32621	18079	9729	44205	20600	14799	508	0	0	118640	50128	0	24573	23113	30150	30957	20955	0	58606	15074	8581	19685	42723	7902	26879	35267	51853	32575	10813	27775	22720	13738	14447	35221	19500	30502	22362	31280	11095	23302	0	23654	15432	28013	21858	78150	18942	24795	17367	16485	13991	10025	18195	11121	24287	37305	31747	39691	44633	0	41331	29222	21210	15087	10860	25190	16735	26408	75341	18284	18210	0	14176	46184	Phytochemical	0.5833333	1.25	0.0
12	C23 H30 O13 N2	543.18207	543.18304	0.29883873	543.18225	11335	14743	13831	11899	5557	6204	11151	16212	11326	12289	5412	10526	10136	2465	16933	12640	8690	11225	19716	14984	14469	26741	16240	19728	7823	0	7671	0	16288	11307	14978	14540	26361	13407	21584	14685	19854	15936	10014	8817	8207	8978	0	0	0	21697	21878	0	16638	15975	15518	11344	6223	0	17279	6217	4890	12005	20536	0	0	13940	13534	10662	4741	10778	8255	9980	0	2551	5065	15092	14240	13683	6188	10490	0	13293	11914	17344	10161	10844	9641	5385	10210	6264	11891	7723	10118	14747	7241	13288	27517	8726	9140	0	15639	17128	4794	4797	8203	16043	12444	15532	0	17741	6893	0	10057	17533	Phytochemical	0.5652174	1.3043479	0.08695652
10	C23 H30 O13 N2	543.18207	543.18304	0.30421314	543.18225	15033	8584	12938	11320	6136	4334	8165	14990	7240	14681	3187	7779	9778	0	11880	13028	10975	7631	10781	11776	11458	22122	12920	11953	4460	2584	7934	0	11465	8706	9782	14015	17330	12262	16055	6370	16833	9341	8090	10654	12208	4302	0	0	0	17343	16822	0	13840	15703	9230	9862	7022	0	12228	7385	5075	10154	14022	7463	11222	9541	9737	12042	4375	9866	8117	12752	0	4909	2425	12413	9162	12178	8845	13920	0	8307	14207	5507	9665	6799	7441	4334	5358	5080	9448	5636	7011	18683	8460	14725	20120	11414	10313	0	12433	13373	2913	6915	5840	14784	7048	13027	0	12228	5956	0	10364	12041	Phytochemical	0.5652174	1.3043479	0.08695652
20	C28 H30 O11	543.1861	543.1869	0.16206494	543.18616	105039	106663	97787	94949	100483	61587	34969	49962	127870	318998	166207	33833	153486	68853	54779	48630	31580	112024	140815	251288	223936	125162	58893	57750	44328	209107	34188	121736	52381	39137	47752	46812	52756	45998	391190	39648	69594	39352	38206	150340	126455	44484	1781	0	0	138008	110180	0	48571	44955	102747	97750	78081	0	113013	99388	54817	63816	49573	32447	57863	107423	150604	100656	47547	120870	52645	34997	178589	308370	258320	50835	43484	39105	32914	32637	0	41184	92214	75842	68658	93865	45890	147350	111309	58755	71693	39903	63111	43569	75190	81340	76112	89491	133803	0	100382	90369	100866	96994	100967	54524	36553	56960	103393	53838	90714	0	43387	162390	Phytochemical	0.39285713	1.0714285	0.0
24	C28 H30 O11	543.1861	543.1869	0.16278951	543.18616	43382	38623	34833	40720	57395	29526	7131	14398	58130	115753	50682	13192	88023	32557	16206	16630	8129	55491	57353	90709	79656	46603	25865	20913	14933	83417	8152	46781	10314	11401	12568	12644	17219	12063	141990	10173	18532	11307	7098	56647	33969	15884	0	0	0	48900	44173	0	13800	12299	31076	38113	34241	0	55660	55324	21939	15344	15330	8769	16107	34496	81515	47253	17517	56600	27287	10210	71870	129534	118171	11933	11319	5247	9185	11195	0	12589	32651	29567	26871	33340	12452	41809	66505	25912	27797	13890	17526	12837	16741	26685	27300	40068	63253	0	39061	40329	40347	52810	47453	15317	8240	17385	31362	12171	37137	0	13037	80345	Phytochemical	0.39285713	1.0714285	0.0
28	C28 H30 O11	543.1861	543.1869	0.27091774	543.1862	7241	7614	6936	6995	11691	4118	2051	2176	11401	24909	7774	0	25022	4577	3097	3346	0	9856	11897	14573	13868	8212	4130	3496	3119	21192	1673	8275	0	0	1556	0	4433	2073	23125	2745	4301	3671	1698	9007	8249	2975	0	0	0	8750	8868	0	1748	0	8034	6182	7595	0	14723	11557	3661	4132	2522	0	4725	4870	17466	7896	4326	16626	3726	1807	17709	30189	29000	0	0	0	0	1557	0	1702	9089	4672	6107	5387	1756	7658	13862	5884	8025	2651	2930	3153	2440	4391	3985	9662	14750	0	9201	8087	6462	13325	12061	0	1069	4288	5392	2589	10171	0	2056	15704	Phytochemical	0.39285713	1.0714285	0.0
26	C28 H30 O11	543.1861	543.1869	0.1517428	543.18616	17263	17054	15454	13747	22983	13687	1767	0	30039	59493	23569	3658	43103	10743	12552	10074	0	33166	28331	36859	40399	18931	12698	8410	7214	39051	4091	17006	0	0	6144	5393	7131	0	58674	0	11620	7871	0	24641	19937	0	0	0	0	16193	23170	0	8074	6337	18730	17404	18093	0	33668	28504	9315	10086	6453	4623	8860	16295	45066	20474	4837	28637	11419	4603	36063	63366	63897	0	4712	0	0	3642	0	0	22327	13871	13042	10393	4289	18093	29079	12466	12949	8160	7449	6036	8668	13497	8509	17317	34375	0	20773	17547	18361	30358	26689	5307	3456	6736	8946	6166	17819	0	5874	35065	Phytochemical	0.39285713	1.0714285	0.0
10	C27 H30 O10 N2	543.1973	543.1983	0.20296028	543.19745	9602	9532	6136	9670	4498	3780	5859	9302	4080	23816	7289	6949	4538	1328	6851	6793	3996	3156	7312	26251	19198	16881	5782	10013	4977	6106	7376	8040	10248	9735	8902	7368	11913	5209	31197	8449	9685	7662	4466	17870	9620	6363	0	0	0	17525	9067	0	10024	8260	9872	7800	6241	0	4631	2725	4509	8638	7426	3143	0	10022	4394	4857	2730	4440	5233	3577	9588	14822	10492	5121	6299	8162	3363	8034	0	6323	6936	8296	6435	7988	8203	10021	3956	2440	4523	2873	5789	7900	7967	10715	13781	10678	13934	0	7320	6530	2615	3178	3343	9843	5312	14730	0	9490	1508	0	7007	4730	Phytochemical	0.37037036	1.1111112	0.074074075
22	C29 H34 O8 S1	543.2047	543.2058	0.6535726	543.2051	74280	55668	74364	49428	74296	51180	32808	74832	48846	197780	189826	49246	110494	0	73890	35904	35002	61974	74688	156152	155926	75678	49008	96676	85580	229290	23046	154180	95130	60888	113754	33426	80762	81420	224066	66802	99408	50712	32094	255306	303228	40982	0	0	0	154550	53922	0	52178	85478	73788	62700	25920	0	124398	42046	16408	103346	122628	53596	68422	169488	76400	43788	23364	83360	57522	38446	246690	295892	308576	75362	43940	91798	43228	38778	0	59658	56088	170052	48992	47064	86010	110512	51910	47466	82684	41122	39800	106754	174748	19188	75132	90954	179481	0	85420	95350	27480	76824	25050	61382	55576	72344	62168	70270	38064	0	49986	109146	Organosulfur	0.27586207	1.1724138	0.0
18	C25 H34 O13	543.2072	543.20807	0.30656672	543.2074	46617	39667	42500	34551	19151	26335	24758	47655	33386	79230	31815	19666	38393	11435	46028	32367	11772	44631	36237	61149	41426	55751	39059	35486	35767	11254	17809	23311	53362	35483	46838	42125	50222	31592	90407	44039	43685	30056	18752	44185	18423	18785	970	0	0	75692	27547	0	35105	35845	27742	38419	25028	0	59723	20066	17260	30524	55664	9994	32963	32699	38906	27704	11456	27205	19866	12567	9497	32396	21065	42182	43299	45373	16401	43491	0	35208	27736	15979	28617	37054	25426	28077	17948	21360	25971	14091	24543	17984	38826	56990	43071	30206	43188	0	46120	42874	17145	14522	12755	42987	27324	54877	40547	35560	20587	0	27465	35095	Lipid	0.52	1.36	0.0
28	C29 H34 O10	543.2225	543.22327	0.17451918	543.2226	11997	11724	13882	11952	16776	8773	4077	6311	16596	32633	15311	2578	30951	11517	5770	9049	5792	17196	15452	27719	21626	12186	10291	7834	4231	34240	4659	15057	5739	6079	6278	4921	8320	6101	31230	4926	7056	7287	6288	14799	13504	5071	0	0	0	10033	10818	0	6884	7659	13101	11280	13073	0	18789	16111	5224	8728	5642	2986	7441	10060	23343	15012	6102	20023	7642	6019	38075	47487	58655	5781	4300	3814	2679	4241	0	3596	15435	9303	9953	7911	4967	10449	21075	9599	10424	5844	7264	7492	7185	10487	7191	11171	15607	0	11975	9864	12240	24608	25845	8063	4663	8313	7246	7689	12659	0	5142	19712	Phytochemical	0.3448276	1.1724138	0.0
16	C29 H34 O10	543.2225	543.2233	0.13303594	543.22253	41600	52101	47062	48548	26663	17426	40346	43130	36367	62119	50036	32773	35163	19788	36781	49323	41116	21034	38799	77573	64156	49281	37147	53602	26245	72020	29202	37890	36793	38034	44011	47473	43691	24087	67828	38291	37480	31630	52687	53131	63197	17514	605	0	0	36256	37577	0	43240	44822	47706	54173	25177	0	42264	32816	24056	43565	27906	36700	44111	34951	38547	32370	20933	29548	28136	53323	58270	96908	100484	35886	29361	39997	43850	39336	0	28486	64251	27020	41652	31266	39699	42720	40796	19163	45991	18712	23435	86342	36905	33461	51721	30808	34214	0	44540	38691	31457	37519	43472	37455	26737	41300	25653	43557	28942	0	40886	37811	Phytochemical	0.3448276	1.1724138	0.0
18	C29 H34 O10	543.2225	543.22327	0.116050884	543.22253	110812	118338	88808	108035	85584	60644	71678	102572	89412	180349	133665	65532	97075	52910	85978	95951	83614	73905	112790	205718	184187	100553	87397	98703	61148	200721	69090	106092	72899	70460	86330	88662	99843	95161	195648	88231	94320	68385	86104	139920	132407	55285	1716	0	0	82911	89847	0	93800	82286	129815	106760	65614	0	112308	83474	56435	91949	70515	72325	90826	85216	118129	79795	45505	93961	68834	92629	173532	241125	287649	74428	67210	71025	81901	84112	0	59987	129820	78954	105374	77527	71015	101642	114963	64361	118807	56448	60437	98056	94533	94153	131571	75661	89552	520	122507	91862	83630	91979	91332	85103	57381	85222	58512	76010	75438	0	84214	102467	Phytochemical	0.3448276	1.1724138	0.0
4	C30 H38 O7 S1	543.2411	543.2421	-0.17752728	543.241	1128	0	940	0	0	431	0	1159	0	0	0	0	576	764	987	1470	2706	1211	647	0	0	0	1157	1280	923	0	0	0	0	1058	0	1064	763	983	0	963	1271	999	2716	0	0	751	0	0	0	0	0	0	0	918	991	702	515	0	355	1185	0	1593	0	0	1068	0	0	326	0	0	425	3030	0	0	0	0	0	859	0	523	0	0	1327	158641	1343	0	0	0	528	0	2656	608	669	2452	2132	965	1148	4135	0	0	0	1164	0	573	969	782	0	0	0	584	1029	0	682	662	Organosulfur	0.23333333	1.2666667	0.0
22	C30 H38 O9	543.25885	543.25964	0.145867	543.2589	237132	244718	215641	226639	236021	153504	119376	213242	248341	368987	276693	131164	241893	148607	195599	245314	157386	224568	265187	429020	408269	217719	209447	231516	178864	502766	123905	264632	189344	178674	177860	206306	229863	162281	429703	183391	227960	168068	176422	284619	248918	131930	4184	0	0	192879	164851	0	186054	172763	238587	232530	200955	499	303594	239750	133978	230968	168664	123581	219355	201525	274649	215018	115922	219169	156497	186382	409512	665276	593417	149996	146690	161220	148926	173793	362	141092	283163	135330	227010	130100	161630	212799	262530	173730	268139	130677	153310	201797	241165	266311	281359	157349	210595	0	236828	225822	202602	252994	246608	229270	138207	217998	138876	188262	205128	0	178464	261506	Phytochemical	0.3	1.2666667	0.0
16	C30 H38 O9	543.25885	543.2597	0.1123539	543.2589	19187	22123	18274	16686	9333	7192	20306	19989	17884	10870	11845	17242	11176	6615	22394	21975	33693	7133	14965	19593	20723	18135	18695	24579	14410	17228	18040	13923	15339	18424	18988	21598	23083	8308	16440	19950	11768	19775	35660	15592	12640	9789	351	0	0	8144	19111	0	28885	23775	16806	22055	11115	0	14964	15912	7522	29571	12154	18242	17876	8165	10237	15257	10456	10139	11282	31398	16543	17223	23537	10066	13695	25339	26099	17461	0	14925	27546	16997	22048	11744	16839	11363	18623	10806	34002	8750	5770	41066	16701	16422	0	7845	10534	0	18467	20552	11364	17232	17007	18011	14911	23484	7473	27106	14759	0	25276	8169	Phytochemical	0.3	1.2666667	0.0
20	C30 H38 O9	543.25885	543.25964	0.13624036	543.2589	165727	155654	142895	146740	134392	78592	105793	135312	157174	178312	148283	94214	151005	90378	127108	146736	126082	111094	161859	229448	225465	123350	114967	152368	115677	286905	107624	133566	124532	133170	120373	129367	140617	87273	209443	115124	140960	108457	145154	165300	162794	87514	2306	642	0	122044	103957	0	139305	116084	142015	159821	111911	383	154245	134327	86445	148773	103548	102225	140754	113723	152309	130272	84163	126449	92398	159455	221070	313068	354488	101291	92151	113461	131529	112766	0	91022	192469	95916	135857	79158	121050	155442	174052	95890	186374	84579	92634	177167	156683	156177	184086	97051	112028	0	152613	144396	118066	170661	155474	159034	89293	152817	88241	136220	127802	0	126698	146128	Phytochemical	0.3	1.2666667	0.0
6	C31 H42 O6 S1	543.27747	543.2784	-0.019330086	543.27747	867	747	696	0	0	706	0	0	0	0	1350	0	0	0	0	0	0	0	0	0	0	0	0	972	0	0	0	12064	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1247	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	80073	0	0	0	0	0	0	0	0	0	0	64284	26822	0	5286	953	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.19354838	1.3548387	0.0
8	C31 H42 O6 S1	543.27747	543.27795	-0.054896757	543.27747	0	0	0	0	0	741	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3980	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	773	0	0	0	36426	0	0	0	0	0	0	0	0	0	0	32262	14117	0	3202	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.19354838	1.3548387	0.0
14	C28 H38 O7 N4	543.2813	543.2817	-0.14748009	543.28125	1614	1903	0	0	0	1954	0	2373	0	1856	0	0	0	0	1435	0	0	0	0	0	0	0	0	0	1283	0	1002	0	0	0	0	0	0	1820	0	1650	2400	0	1778	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1717	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2579	1297	0	0	0	0	0	15748	0	0	0	1015	0	0	1621	0	0	0	43347	5029	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.3571428	0.14285715
12	C28 H38 O7 N4	543.2813	543.2817	0.35899878	543.2815	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1147	0	0	0	0	0	995	0	0	0	0	1046	0	0	0	0	0	0	0	0	0	0	0	0	1392	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1029	0	948	0	1360	0	17438	0	0	0	0	0	0	0	0	0	0	28476	12591	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25	1.3571428	0.14285715
10	C28 H38 O7 N4	543.2813	543.2815	-0.016400868	543.2813	0	0	0	0	0	0	0	0	0	0	0	0	0	0	854	0	0	0	0	0	0	0	0	1269	1585	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	876	0	0	0	6466	0	0	0	0	0	0	0	0	0	0	22270	5482	0	0	0	0	0	0	0	0	0	0	842	0	0	0	0	0	0	0	Peptide	0.25	1.3571428	0.14285715
26	C31 H42 O8	543.2952	543.2961	0.12438519	543.2953	122131	117800	124028	116267	145547	79266	75583	134554	146682	131253	134390	69232	149437	94002	117172	133593	79970	139497	191428	226016	195292	112940	101684	123429	124670	250913	77775	170017	138557	134172	112393	121688	142848	91622	190212	136309	157295	94753	83944	148748	104206	75405	0	0	0	110873	61484	0	123030	114176	122578	113790	120157	0	203410	159443	85632	133506	114890	61479	137034	103215	146487	139203	62180	121539	100849	87895	214337	278535	220651	91155	86930	111425	74357	106756	0	80259	142987	89483	108104	76186	105642	121752	177995	130277	131815	72948	90831	80913	125894	141871	149125	86262	115969	0	122567	142624	98458	184900	197492	171960	69792	162979	72837	86548	137263	0	96102	127703	Lipid	0.2580645	1.3548387	0.0
22	C31 H42 O8	543.2952	543.296	0.0780907	543.2953	99070	103942	93364	92096	89513	60207	81532	91047	107742	98281	96085	64063	91370	56263	97065	115692	125583	76272	121751	127738	107070	80739	87828	98357	85141	143354	79052	96235	98171	96995	95645	97104	110896	62598	111605	104776	110139	85186	127049	89815	86529	66066	0	0	0	56626	63125	0	102539	84703	104595	101172	84086	0	126531	118066	73769	114178	80361	61881	101814	61602	99484	95118	56570	97598	71251	139090	116977	165236	169081	55703	63334	82808	99527	83731	0	75530	130906	61094	96394	50679	82797	74890	127176	84200	121021	61668	73396	114623	103990	112623	114324	58109	77386	0	90970	103311	83693	132219	120920	134420	68320	109875	52158	100535	102454	0	85922	83157	Lipid	0.2580645	1.3548387	0.0
28	C31 H42 O8	543.2952	543.296	0.080734454	543.2953	19686	22239	19875	20681	30153	13104	24897	25796	29941	22239	23110	10696	33841	17147	19146	20392	14642	21352	36732	39759	28984	18710	18609	21975	26398	55388	20899	29948	28432	29886	19264	22681	34166	17536	35199	27389	32089	18353	19372	29332	20244	16340	0	0	0	18673	10831	0	23494	28440	20373	19409	23374	0	39128	36396	11431	29351	21276	10790	25248	17699	32788	25405	14303	29499	19754	20806	45279	53357	50413	15997	15012	23005	11617	20059	0	15406	32639	19310	19036	12583	20556	26094	39213	20871	32719	13340	15204	21089	22205	26248	28285	17227	16226	0	23405	23308	18632	48319	58989	32850	12058	28313	14150	21015	29815	0	17596	23537	Lipid	0.2580645	1.3548387	0.0
18	C31 H42 O8	543.2952	543.29614	0.19609582	543.29535	10458	7211	8448	5990	2925	2179	13749	7757	6030	4017	3262	6964	2449	4596	6749	12091	24639	1988	7702	3433	5002	5558	4235	6756	11368	3541	12788	3451	8410	10195	9181	8472	11474	0	5026	9329	7091	9869	24131	1797	5251	5124	0	0	0	2499	1925	0	9976	9946	6831	6932	6439	0	6430	5658	5596	7837	2572	7565	8288	1114	5805	7389	5280	3664	5206	28818	4246	6353	7745	2079	4521	14266	17101	8231	0	7336	17675	4901	9202	3879	7857	2955	7697	4718	18956	0	3307	15516	11010	5534	9533	2179	2609	0	8831	6879	4430	11445	12018	15338	6417	7028	3512	6456	9151	0	12117	0	Lipid	0.2580645	1.3548387	0.0
10	C32 H46 O5 S1	543.31384	543.31433	0.42027032	543.3141	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1544	0	0	0	3529	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23044	850	0	0	0	0	0	0	0	0	0	21175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15625	1.4375	0.0
6	C32 H46 O5 S1	543.31384	543.31476	-0.016810896	543.31384	658	838	933	1065	0	662	0	777	0	0	953	0	0	0	0	1343	820	0	0	0	0	0	981	2543	1414	0	0	11986	0	0	0	729	0	0	0	0	0	0	1194	0	0	0	0	0	0	0	0	0	1058	0	0	0	0	0	0	0	0	809	0	0	0	0	0	0	0	0	0	1695	0	0	0	0	0	0	0	0	0	0	0	77347	0	0	0	0	0	0	0	0	0	1296	44992	12660	1089	3519	0	0	0	0	0	0	0	0	0	0	0	741	0	0	700	0	Organosulfur	0.15625	1.4375	0.0
26	C32 H46 O7	543.3316	543.3324	0.06561923	543.33167	50056	45007	49175	47128	43388	26707	52696	57305	58157	29831	49956	29380	37853	43749	50276	81575	74943	41583	76112	55493	43786	33658	35448	39978	67484	78008	70298	57154	84442	69163	42612	67196	71878	42754	41345	81374	74570	47856	71820	46677	41949	44711	0	0	0	33307	17526	0	60380	50183	51525	50684	44284	0	81925	87775	42235	85542	45169	33254	69233	31813	50334	57112	35142	43948	51158	94043	64948	58470	54833	24733	48446	61495	58094	48984	0	36178	64017	36203	40207	25999	46573	49103	90937	56164	79740	34620	43316	61468	54753	58678	57634	37538	28457	0	49651	54035	39905	110925	119859	89171	38757	57901	29177	65338	65144	0	50616	39239	Lipid	0.21875	1.4375	0.0
22	C32 H46 O7	543.3316	543.3324	0.0985479	543.33167	11448	7674	11749	11015	4745	3903	14420	6597	11662	1851	4653	6387	4571	5956	10078	21052	42557	3342	9630	5815	4397	4962	6792	7161	11719	6969	17357	4599	10255	10144	7988	11533	9330	4982	3374	14069	10886	8528	53255	3676	6556	6151	0	0	0	2672	1933	0	8126	8925	15893	11520	8713	0	12423	17142	9405	21342	3948	7124	14299	1836	7033	6064	7177	4933	7411	59952	3957	2021	5387	3991	9620	11724	22432	10684	0	5693	15195	6372	9601	3649	8775	4248	15807	10629	18834	5837	5516	27837	6357	14557	10908	0	2347	0	10634	12405	7397	27179	25151	16257	7911	9258	1878	15324	9148	0	14296	3107	Lipid	0.21875	1.4375	0.0
28	C32 H46 O7	543.3316	543.3324	0.07364824	543.33167	16744	15798	16897	14976	17628	10155	26150	18754	19521	8993	17734	8111	13841	10337	16885	18029	21788	11858	28055	18087	10732	11275	14540	11988	26180	32122	23502	26644	27327	25054	17332	21734	34288	14168	15888	29537	27655	16031	19703	15571	10653	13659	0	0	0	9073	4784	0	16985	15967	18253	15631	15818	0	34347	36888	13600	29366	19852	8651	22172	10765	17867	19312	9252	18139	20285	26109	21672	19016	19365	8090	12465	22251	10125	17198	0	12392	27953	15330	13517	8915	21219	19942	35585	21447	38298	8778	12995	20704	18025	25360	19266	14929	6093	0	17647	16475	11009	50871	55926	32528	10267	24731	11002	24776	23694	0	16914	13232	Lipid	0.21875	1.4375	0.0
20	C32 H46 O7	543.3316	543.3323	0.075507104	543.33167	0	1891	1598	0	0	0	2749	0	1604	0	0	0	0	0	0	4417	14295	0	0	0	0	0	0	0	1417	0	4333	0	1637	1950	0	0	2426	0	0	2902	2195	1164	20502	0	0	0	0	0	0	0	0	0	1619	0	1642	1546	0	0	2079	2332	921	4050	0	1267	1654	0	0	1658	1258	0	1661	18468	0	0	2480	0	1308	1851	6744	1311	0	1376	0	0	0	0	1518	0	2074	2304	4203	0	1498	4323	0	0	0	0	0	0	0	0	0	6042	6571	4668	0	2269	0	3211	1218	0	2052	0	Lipid	0.21875	1.4375	0.0
18	C25 H50 O12	543.3375	543.3383	0.40560225	543.3377	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2222	6732	0	0	0	0	0	0	0	0	0	0	386	0	0	0	1598	0	4496	0	0	1749	0	216	0	0	0	0	1553	0	0	0	0	3137	0	0	0	0	0	3087	0	1174	1483	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5472	0	0	0	0	0	0	0	0	0	0	0	0	46428	2131	0	0	0	0	0	Lipid	0.48	2.0	0.0
26	C33 H50 O6	543.36804	543.3686	0.063174956	543.36804	6547	4987	4801	5976	2470	0	15207	0	3527	0	2430	0	0	6119	0	9648	17384	0	4870	0	0	0	0	0	7931	0	14216	5285	0	0	3630	0	4628	2588	0	8472	3079	4432	13539	0	4196	0	0	0	0	0	0	0	4374	6889	5545	6005	2375	0	7186	8823	5600	6574	2324	4098	6771	0	2466	3174	3530	4892	4469	21573	0	0	0	0	0	7314	8320	4338	0	0	7612	0	4553	0	6511	0	9164	0	15579	0	0	15496	3898	6206	6208	0	0	0	4549	0	4842	19237	24075	8573	0	0	0	4429	5387	0	10845	0	Lipid	0.18181819	1.5151515	0.0
24	C30 H54 O8	543.38916	543.3898	0.14473775	543.3892	0	2867	2329	1235	9214	25407	0	3558	0	0	0	0	2904	16381	0	0	0	3280	8169	0	0	0	2424	0	0	0	0	0	0	1663	2256	0	0	0	0	0	0	0	0	0	0	38564	0	0	0	0	0	0	1491	0	1046	1858	3109	0	0	0	3305	985	0	0	3469	0	0	0	13102	3937	22517	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3719	9108	0	14310	17791	1985	6836	0	3523	0	0	0	0	1140	0	1519	11892	0	0	0	0	1684	8556	0	0	0	Lipid	0.26666668	1.8	0.0
26	C21 H21 O16 N1	544.0933	544.0942	0.12921995	544.0934	0	0	0	0	10206	7058	0	0	13604	0	0	0	17746	5610	0	0	0	0	0	0	0	4943	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37076	0	0	0	6178	4010	0	0	0	12020	0	0	0	0	0	0	15838	8056	0	3300	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11468	0	0	0	0	0	0	0	0	0	0	0	0	8905	0	4414	0	0	0	0	0	0	0	32504	0	0	0	0	26690	Phytochemical	0.7619048	1.0	0.04761905
24	C25 H21 O13 N1	544.1086	544.1093	0.14181247	544.10864	8714	5216	5483	8008	7717	6052	0	0	10369	15406	4138	1121	20369	2268	1725	0	0	15340	11809	8188	13775	19427	3528	1049	2109	1586	0	0	0	0	0	0	1716	0	19651	0	1594	1470	1395	8214	3400	0	0	0	0	11648	16752	0	1189	0	4720	5614	4801	0	15130	9606	2510	1018	1073	0	2146	5734	15458	12061	4979	9565	2652	0	2460	4018	6015	0	0	0	0	0	0	1226	6654	13249	4574	13326	1495	4491	9967	6077	2396	2284	2320	0	1826	2985	4177	22120	31509	0	2777	5365	7180	5370	10734	1672	1193	2233	10289	1898	7750	0	1881	20058	Phytochemical	0.52	0.84	0.04
28	C25 H21 O13 N1	544.1086	544.10925	0.15024774	544.10864	5491	6137	4612	3757	4820	3667	1276	0	8618	15738	2644	0	10665	3675	0	0	0	11155	9383	8776	10381	12804	0	0	0	0	0	1380	0	0	0	0	1154	1246	16264	0	1943	0	0	4935	4387	2621	0	0	0	9204	15169	0	0	0	5274	4639	3943	0	8996	5288	1668	1046	1209	1384	0	5164	12198	5952	2018	6590	2591	0	3035	4277	5776	0	0	0	0	0	0	0	3095	9327	2532	7550	1055	2763	9334	3281	3556	0	0	1380	1313	2390	2522	13670	27364	0	4748	4740	7039	5448	7399	0	0	0	9087	0	6504	0	0	14113	Phytochemical	0.52	0.84	0.04
22	C25 H21 O13 N1	544.1086	544.1095	0.2689086	544.1087	10827	7951	5439	7501	13699	8995	1695	1405	13426	23893	9298	1325	18701	0	0	0	0	21854	14975	18232	14257	29828	2745	1936	1820	3330	0	1323	2383	1347	0	0	2061	1686	24072	0	2621	3735	1714	9948	5992	3270	0	0	0	17743	31957	0	0	0	7432	9739	7639	0	20630	15432	4439	2058	1481	2132	1789	7660	26331	16891	3881	16130	4375	1468	5367	3785	7891	0	0	0	0	0	0	1333	7586	13981	3883	17398	2191	5802	18548	9981	4776	5167	3156	0	0	3891	3433	31636	50098	0	8306	8566	11190	15186	15763	3114	0	3264	20852	1901	12916	0	3658	23848	Phytochemical	0.52	0.84	0.04
16	C25 H21 O13 N1	544.1086	544.10956	0.2995559	544.1087	9188	7891	6173	12962	9585	2803	0	0	14024	20813	13346	1260	23259	3516	2578	0	0	17418	14050	18899	27331	34211	3652	0	0	5740	1305	3655	0	0	1131	0	1799	1839	46720	0	2303	1337	0	12277	17450	3818	380	0	0	19345	32624	0	0	0	8640	8436	9009	0	16927	18650	4085	0	0	3491	0	12994	29097	15137	5119	20079	7175	1804	8935	4432	7594	0	1629	0	0	0	0	0	7637	25836	4348	17201	1703	7012	17387	7839	3112	4556	6108	0	4604	5635	0	46046	45655	0	10496	7615	11394	12440	17738	2081	0	1665	21846	0	14855	0	2240	21178	Phytochemical	0.52	0.84	0.04
26	C25 H21 O13 N1	544.1086	544.10944	0.13837098	544.10864	5998	3852	3690	4562	8423	4805	0	0	10655	13435	0	0	16672	0	0	0	0	12497	14433	7162	13597	16728	0	0	0	0	0	0	0	0	0	0	1619	0	18576	0	0	0	0	6223	5297	0	0	0	0	8800	16613	0	0	0	4490	2969	3161	0	13499	10740	0	1610	0	0	0	3361	17361	7860	0	10138	4384	0	0	4041	3395	0	0	0	0	0	0	0	4706	7835	4453	5832	0	0	7917	0	2805	0	3052	0	0	2912	0	13739	30226	0	4771	0	6570	6553	6485	0	0	0	9994	0	6473	0	0	19057	Phytochemical	0.52	0.84	0.04
20	C25 H21 O13 N1	544.1086	544.10944	0.25100613	544.1087	38058	24027	34140	33751	48678	32061	5622	4500	80886	101252	29313	5820	78933	10107	11304	7455	6525	70821	51714	68823	111066	153048	19493	7538	7974	8367	3357	10605	0	0	5501	4194	12669	0	135388	0	12882	6375	9312	41881	45036	10227	0	0	0	75554	127116	0	4686	0	39879	34040	32604	0	81951	51483	22248	10334	1107	7252	6492	33210	110898	61698	23691	36048	25413	0	12657	12672	23616	0	3780	0	0	5130	0	6159	24567	101463	16185	71714	6453	27078	64263	37653	21264	16866	22309	9031	13058	15546	13473	152559	169278	0	33771	31992	63411	53502	56803	14745	0	10872	91079	11709	46475	0	14817	113034	Phytochemical	0.52	0.84	0.04
18	C25 H21 O13 N1	544.1086	544.10944	0.15562618	544.10864	14733	14453	10635	14284	17265	6764	2529	0	17585	36890	17398	1550	38262	5610	2590	2717	2023	20640	13496	17533	35548	44079	5412	2490	0	5068	1874	5290	0	0	0	0	2795	0	42039	0	3193	4048	1484	22396	18495	3424	721	0	0	29132	32372	0	2036	1456	8718	10194	7778	0	25105	21335	5334	2397	2511	2417	0	11763	40618	24764	5449	23029	5224	3003	4988	7191	6007	0	0	0	1406	0	0	3491	7710	26821	8477	20203	2428	7985	16745	10320	7189	5145	4947	0	5810	4768	7438	47615	64948	0	13223	8441	19231	19274	16766	2445	1382	4634	22170	3892	13727	0	0	30939	Phytochemical	0.52	0.84	0.04
14	C25 H21 O13 N1	544.1086	544.10956	0.19793561	544.1087	6057	7215	4851	7782	9582	1519	0	0	10210	14665	6596	0	19699	1857	0	0	0	9724	5525	7588	18057	26014	1738	0	0	1975	0	0	0	0	0	0	0	0	31847	0	0	1088	0	10130	15242	1988	0	0	0	10015	14424	0	0	0	4947	7816	4371	0	12138	8570	2156	1500	0	0	0	7472	20021	11283	4289	6901	3730	0	0	1720	4705	0	1080	0	0	0	0	0	3776	0	1078	7906	1274	1846	11904	0	2323	3180	1270	0	0	2652	0	32500	22755	0	5881	5442	8601	10525	10907	0	0	0	0	1959	7745	0	0	14770	Phytochemical	0.52	0.84	0.04
14	C22 H25 O13 N1 S1	544.11194	544.1132	0.18769541	544.11206	6057	7215	4851	7782	9582	1519	0	0	10210	14665	6596	0	22768	1857	1178	0	0	9724	7701	7588	18057	26014	1738	0	0	1975	0	0	0	0	0	0	0	0	31847	0	0	1088	0	10130	15242	1988	0	0	0	10015	14424	0	0	0	4947	7816	5542	0	12138	8570	2156	1500	0	0	0	7472	20021	11283	4289	6901	5260	0	0	1720	4705	0	1080	0	0	0	0	0	3776	0	1078	7906	1274	3095	11904	0	2323	3180	1270	0	0	5351	2255	36850	29914	0	5881	5442	8601	10525	10907	0	0	0	0	1959	7745	0	0	16328	Organosulfur	0.59090906	1.1363636	0.045454547
14	C22 H25 O15 N1	544.1297	544.1307	0.26611632	544.1298	22365	21857	17487	23320	36660	26497	5018	12908	47530	13351	19862	14820	79287	13348	17244	17199	16966	53652	55179	23176	41577	52218	25415	12511	4807	3734	6395	0	7273	9052	6870	0	13240	4484	27815	6789	9527	13557	12142	16551	31671	25816	0	0	0	74005	203595	0	7363	11633	19117	18900	23939	0	60898	43712	15245	8456	12391	11305	0	26390	75051	47987	19120	44430	22555	10853	16459	6112	8532	5040	5344	5770	10912	7939	0	13848	17362	44783	14360	62837	4193	3459	57208	27357	12292	17889	21130	11609	3382	5109	13141	64588	38397	0	23957	32902	43453	38655	43439	19130	9299	9700	172988	9641	49707	0	3033	55687	Phytochemical	0.6818182	1.1363636	0.045454547
18	C22 H25 O15 N1	544.1297	544.1306	0.2132577	544.1298	45968	39829	45899	36356	79584	51806	6938	9812	87731	28703	27744	25478	182542	24184	28768	15388	22028	72990	112127	49002	62030	120521	43812	19982	8472	5591	13494	5670	18956	8390	13174	10324	17838	0	30976	6468	19412	13720	9172	48607	62743	37474	2410	0	0	205291	391441	0	8100	22854	47350	42014	45597	0	91472	61354	28275	16841	21384	19023	9772	73317	106398	66730	39090	61288	37681	18292	26646	24527	19207	8194	10618	8434	15142	0	0	18150	30050	80672	23897	189714	0	14733	93321	47684	23403	20236	23464	13630	7342	16912	26839	99220	85535	0	52560	52516	79025	40913	61914	24862	14506	18574	306184	21349	78310	0	6468	98448	Phytochemical	0.6818182	1.1363636	0.045454547
12	C22 H25 O15 N1	544.1297	544.13074	0.3323125	544.1299	11233	11964	7035	12847	23679	10926	4599	6620	25959	11904	11650	9653	50517	4707	8582	7535	10533	39306	37867	17971	35406	33593	17287	10861	1984	0	4001	0	6007	4996	3690	3214	9986	4068	24122	5190	8013	7347	6535	8483	19691	16240	0	0	0	39854	129023	0	2846	6967	11956	12327	14954	0	39640	32202	15451	3026	0	0	0	14826	54493	28471	13659	26661	14833	7688	16999	0	5267	6541	5559	4099	8567	3276	0	7339	13911	30978	8917	38419	1975	2622	41363	16647	9585	12729	12820	9208	0	3155	10179	56181	24440	0	15495	22763	37463	27703	36383	8417	8343	5439	105836	6121	34917	0	2533	47758	Phytochemical	0.6818182	1.1363636	0.045454547
10	C22 H25 O15 N1	544.1297	544.1308	0.3716632	544.1299	7809	9912	6434	10199	13550	5940	2168	5250	14260	5025	4767	5260	26129	3228	2940	3498	8471	16665	18064	5010	8750	16319	6084	4241	1160	0	980	0	1683	2968	1544	1520	3176	1504	9279	1972	3086	3732	4155	6822	12829	6408	0	0	0	12288	44738	0	2468	5146	4956	9527	9702	0	18014	20927	5483	3658	2271	5444	0	4491	26052	12759	5928	13789	4860	4929	0	0	1754	3348	2399	1923	2653	1244	0	1972	6817	6949	5576	14353	1257	1142	22968	5647	6877	5593	3086	5210	0	4298	4130	21606	14266	0	7513	10829	16423	18033	19811	7042	2893	0	28196	4350	17220	0	1542	21778	Phytochemical	0.6818182	1.1363636	0.045454547
28	C22 H25 O15 N1	544.1297	544.13043	0.23515618	544.1298	5687	4534	5757	5263	7045	4798	0	0	4990	7477	3284	911	7145	1533	0	0	0	8826	4380	14695	18171	13422	2970	0	0	0	0	0	0	0	0	0	2115	0	10509	0	1419	0	1488	6488	10163	0	0	0	0	44988	83472	0	1558	0	7312	5450	6248	0	5072	2853	1555	864	1185	2283	0	10317	5073	4918	1205	4047	2743	0	5708	3314	6489	926	0	3193	0	1362	0	1632	0	8411	1664	39530	1357	2700	5286	0	0	1405	2481	912	1110	2779	2022	11771	4183	0	5367	5827	6085	1874	2006	0	1143	0	59133	2685	4510	0	0	9352	Phytochemical	0.6818182	1.1363636	0.045454547
26	C22 H25 O15 N1	544.1297	544.13055	0.024477012	544.1297	6382	4957	3347	3399	3526	4929	0	0	5768	5894	0	0	5206	0	0	0	0	9327	0	8211	14724	11776	0	0	0	0	0	0	0	0	0	0	0	0	6455	0	0	0	0	8845	10258	0	0	0	0	40505	99110	0	0	0	4273	4776	4985	0	5209	0	0	0	0	0	0	10713	5388	4333	0	2351	2420	0	0	0	4669	0	0	0	0	0	0	0	0	7691	0	34666	0	0	0	0	0	0	0	0	0	0	0	10290	7257	0	0	0	5229	1761	0	0	0	0	66799	0	0	0	0	11087	Phytochemical	0.6818182	1.1363636	0.045454547
20	C26 H25 O12 N1	544.14496	544.1458	0.19570035	544.1451	21905	16604	15226	17950	24069	15086	3797	5209	27110	87805	35401	2548	40123	11869	6872	5682	2675	34201	38645	59966	65506	50759	10970	7734	7226	23881	0	22389	4037	2739	5077	4108	6663	1590	119124	2197	11815	3560	3720	46561	30546	6888	558	0	0	47703	59904	0	3514	2040	23440	16155	18762	0	33230	25756	9541	8937	5223	3965	8634	35935	40545	28192	7780	24534	8769	3400	24193	38358	37407	6275	1460	1968	4243	4458	0	3845	12589	41476	7792	33252	4482	40998	24461	14102	12978	10318	11986	4984	13580	18950	10476	56634	68970	0	24871	16435	22152	19371	21735	6135	2019	7866	40784	6926	20644	0	4897	36871	Phytochemical	0.46153846	0.96153843	0.038461536
24	C26 H25 O12 N1	544.14496	544.1457	0.17594187	544.145	7321	10156	5419	6076	9080	7789	1262	0	11581	34386	8438	1020	12692	3120	2527	0	0	13525	15327	13464	24987	20798	4101	1379	1910	4696	1646	6954	1597	0	1079	0	1592	0	39826	0	1789	1944	1459	11860	10462	2208	0	0	0	18171	23550	0	1036	0	7560	7562	5813	0	13939	9905	3891	2306	0	1292	2151	8582	13766	9856	5216	8626	3306	1470	6592	13312	14384	1282	0	0	0	0	0	1593	5147	11622	3482	14899	2627	6938	12787	4956	3914	1208	4770	2314	3830	5101	4615	20715	33320	0	7145	5591	6546	7241	10523	1471	0	2758	15967	3113	6348	0	1632	17484	Phytochemical	0.46153846	0.96153843	0.038461536
16	C26 H25 O12 N1	544.14496	544.1459	0.23557642	544.1451	18159	21773	22968	20817	17473	12150	5237	7232	17694	90795	34043	3200	39006	8596	5991	5929	5170	20665	23020	55834	59014	53932	7138	5667	8356	26579	3659	20824	4219	2361	3377	5530	7559	3749	117288	2423	8716	7222	3456	46008	36290	6524	297	0	0	36486	44745	0	6116	3598	17221	15280	10042	0	20741	22309	6358	3790	6530	4065	0	29225	36659	20506	6349	20746	9348	4093	31126	34998	32998	3284	2484	2430	1925	3134	0	3777	12561	35569	6029	26682	5098	21117	20249	10908	11458	6549	10807	0	9850	15774	0	49909	75732	0	22691	23733	18728	22743	18320	7940	4009	7526	20228	0	14961	0	5177	32997	Phytochemical	0.46153846	0.96153843	0.038461536
22	C26 H25 O12 N1	544.14496	544.1458	0.28612366	544.1451	14570	12681	12257	14120	13930	9820	3493	3544	19771	61774	19919	2366	32045	8526	3408	3003	1888	27301	19421	43139	35431	33674	7483	3851	7901	14990	2068	15171	1942	1511	2568	0	2944	3415	64209	1175	3369	4084	2053	24957	17700	4899	0	0	0	35808	31958	0	4263	1930	12361	11205	13608	350	19313	15982	9010	3093	3150	1685	3270	19553	28745	16968	5512	19824	9134	1504	16602	25710	30670	2006	0	1207	0	1946	0	2534	7872	17798	8348	27559	2463	13891	20550	9303	9951	7481	7054	3259	3217	10950	4419	35724	51986	0	12669	15262	15921	14872	15003	3232	2641	4072	25563	3400	12926	0	4137	30366	Phytochemical	0.46153846	0.96153843	0.038461536
26	C26 H25 O12 N1	544.14496	544.14575	0.21114391	544.1451	3463	4115	3951	3525	5014	3895	0	0	5349	20128	4394	0	13261	3457	0	0	0	9463	7874	10910	13162	14418	0	0	0	0	0	2832	0	0	0	0	0	0	18884	0	0	0	0	7269	7282	0	0	0	0	7866	14986	0	0	0	4095	2697	3245	0	8562	0	2962	0	0	0	0	4023	11384	9719	0	3202	0	0	0	7165	8582	0	0	0	0	0	0	0	2854	8998	0	9447	0	4232	0	0	1798	0	0	0	1799	2016	0	11816	20794	0	3639	0	4418	4654	5403	0	0	0	7513	0	0	0	0	11536	Phytochemical	0.46153846	0.96153843	0.038461536
14	C23 H29 O14 N1	544.1661	544.167	0.16684124	544.1662	77236	66931	57465	68237	55777	46577	33658	72626	87367	98457	61893	43201	123995	28148	0	61782	43787	118185	116395	132771	141266	130243	76270	66705	34007	31840	29046	34342	61375	60763	55566	53799	59737	41407	123304	60513	47795	49804	32473	79785	73645	53484	0	0	0	288467	419649	0	45400	76165	64453	66013	51320	251	126239	65250	38486	42532	97523	32314	95248	91151	101032	86711	37254	66915	46362	33220	63616	44952	46309	52114	45165	70507	42427	49506	0	52515	45401	112282	43690	195317	30490	38618	75798	51863	35827	44619	37320	35953	21588	53883	78707	108116	129485	518	63086	88495	69850	50032	57226	79862	46767	88546	400856	46844	73829	0	31157	88201	Phytochemical	0.6086956	1.2608696	0.04347826
22	C23 H29 O14 N1	544.1661	544.167	0.21311732	544.1662	91787	73766	76965	83461	94731	67191	17344	51204	88361	151618	45550	25272	110868	18192	49299	33890	20385	124295	95797	159648	161087	106321	55688	52129	36974	48944	15529	43086	59536	41379	44688	24114	43342	31641	115604	44109	45941	33661	16137	124266	75981	38674	0	0	0	498373	485992	0	31934	47822	71224	66433	51101	897	96257	55876	35741	26800	57717	18132	39688	102914	73417	70149	27426	58266	50074	25624	70361	105458	95919	40414	26679	27771	26718	38375	1212	36960	54954	84016	41698	313859	15411	48355	79572	49381	35103	26571	29281	15281	22041	0	54940	106081	133688	0	66425	71039	82194	41336	47602	40441	37027	47498	439750	35995	71736	0	32317	113969	Phytochemical	0.6086956	1.2608696	0.04347826
18	C23 H29 O14 N1	544.1661	544.16693	0.13484448	544.16614	73442	60842	67305	60424	63686	63828	32786	69397	82623	81721	42819	35786	145372	36252	62335	42354	30326	123127	131014	127626	128426	107158	65244	56813	35969	31584	25425	23809	67609	47169	50199	49328	64235	42246	98308	58267	53991	46720	22957	116920	62145	49103	2851	356	0	406036	376774	0	50132	57817	58480	58784	52459	251	139330	58200	36090	41548	63769	24158	46323	101240	100441	75380	32858	60932	43668	24026	58362	62914	41973	49667	45086	55148	29723	44198	280	42193	37340	88784	39607	266536	27537	45588	76811	49495	29371	26505	41328	16186	32088	44587	68174	87064	112650	647	67891	88064	76657	35848	42405	58401	37758	58756	321749	36827	73449	0	30204	103921	Phytochemical	0.6086956	1.2608696	0.04347826
16	C23 H29 O14 N1	544.1661	544.16693	0.16919754	544.1662	91412	77548	83483	93025	87173	61543	38222	83197	98117	108102	53753	46441	154839	35904	92377	68141	47816	172041	147426	175432	173721	149217	89542	85250	43074	29534	27491	38150	77875	66415	59795	63591	72586	44923	142675	67514	64395	55310	30526	109632	82145	53789	3573	575	0	400268	416016	429	54898	77287	82401	72184	66862	228	172232	75509	46162	53745	88020	34825	68750	100432	120578	86446	43265	84516	54489	34626	58172	68620	65546	67184	67680	76529	48197	58156	0	54790	46576	103675	44858	278208	34159	51264	91469	64866	44381	45667	48858	33195	28682	60841	73487	106866	163513	503	80615	121589	77422	55167	69771	79548	43590	82608	380423	64599	88849	0	38877	120206	Phytochemical	0.6086956	1.2608696	0.04347826
20	C23 H29 O14 N1	544.1661	544.1669	0.13831346	544.16614	39578	41806	36304	32151	36404	42199	15409	34991	50354	52402	24952	19029	68238	20377	33702	18785	11650	78959	60645	87878	81504	53762	32890	25179	22974	18585	11391	13158	35275	27870	26647	25602	33218	20517	55753	31976	32748	25182	15270	61579	39331	20445	1554	0	0	283941	270268	0	25962	31921	35308	43489	31724	0	67606	32234	24264	18505	33304	11790	23401	56476	48095	43473	19898	39089	24369	14507	36856	43742	29390	29787	32843	30361	19939	22637	316	23727	23288	55922	22508	174277	18727	32394	47039	28407	16399	19711	26393	6267	19309	25744	35128	48716	66992	0	44501	53071	45711	21982	27963	26252	17722	34696	247932	20981	42630	0	11862	68927	Phytochemical	0.6086956	1.2608696	0.04347826
18	C22 H29 O13 N3	544.1773	544.17865	0.75093216	544.17773	6376	3581	3204	3911	4352	4906	3138	5249	3666	9451	4441	4110	4843	1410	7525	3295	2707	3831	5001	13015	4531	14080	2987	4902	4840	0	0	2603	3798	4010	4225	0	5098	0	17769	2409	4650	2052	3200	10349	4212	2585	0	0	0	23662	9708	0	0	2487	5603	4377	4477	0	5889	2028	1354	4723	8482	2367	2828	6758	3052	3277	1218	4802	1678	1553	2390	0	1784	5419	4476	3941	2418	0	0	3027	2709	4570	7223	15105	4305	3543	0	2642	1663	2275	1422	4038	7736	8009	12225	3500	7239	0	3855	3919	1705	2847	1986	1968	2206	4413	11368	3791	2525	0	1794	12195	Peptide	0.59090906	1.3181819	0.13636364
26	C27 H29 O11 N1	544.18134	544.1821	0.1376023	544.1814	5702	0	6189	2632	5178	3930	0	0	8942	19374	4766	0	13060	0	0	0	0	7670	7511	14368	16215	7475	0	0	0	8425	0	3620	0	0	0	0	0	0	23224	0	0	0	0	10546	6912	0	0	0	0	9715	9344	0	2063	0	4053	3736	4280	0	6649	0	0	2684	0	0	0	5628	8849	5449	0	5718	0	0	15297	20956	19675	0	0	0	0	0	0	0	2925	0	3452	5712	2441	5703	6974	0	0	0	0	1955	2830	3824	0	8616	17787	0	4486	6927	3431	5032	4808	0	0	0	0	0	6582	0	0	10410	Phytochemical	0.4074074	1.074074	0.037037037
22	C27 H29 O11 N1	544.18134	544.1821	0.15966825	544.1814	17975	27735	24473	23896	20023	16177	4588	12100	28252	83035	42105	3477	30224	11262	12595	12768	4475	29140	29238	69812	61642	48580	13271	16573	11866	47079	6876	26416	13594	5182	9326	5580	8883	4207	91082	10186	15947	10337	7077	47824	32636	10292	0	0	0	48241	36836	0	13185	7842	19564	18669	19744	0	36903	28255	8865	11079	15990	6016	14801	35451	34330	22491	5461	25011	19263	8515	44907	73467	52964	7590	5019	3967	4707	4464	0	6547	19747	25307	14571	31857	9241	36666	30793	18824	14988	15543	13800	10744	16512	30438	25829	34997	59532	0	17633	32956	22563	15171	19230	9430	4669	14977	35441	7706	21343	0	10752	40757	Phytochemical	0.4074074	1.074074	0.037037037
24	C27 H29 O11 N1	544.18134	544.18207	0.16758329	544.18146	10222	12291	7982	9580	14266	8343	2376	2039	13252	47444	20968	2014	22727	4964	2389	3636	1593	17152	16297	27286	21073	19976	5054	4127	2874	22682	2187	10140	3088	1517	1693	1638	5940	0	53980	4303	4797	2020	1819	21360	17640	5092	0	0	0	25428	22313	0	4267	2684	10587	11242	7234	0	15865	9712	4997	4610	2453	2464	4162	14159	23273	11580	3242	15633	7780	0	19910	35145	29111	2433	2514	0	0	2316	0	3842	7054	10285	3937	12877	2334	14492	12845	5252	5403	4718	4960	3254	5159	7006	6443	20890	28939	0	11685	8723	10363	8674	12181	2233	2655	3953	13695	3019	5067	0	3608	20182	Phytochemical	0.4074074	1.074074	0.037037037
12	C24 H33 O13 N1	544.20245	544.2034	0.18427719	544.2026	38242	34085	32320	24688	18690	15648	27454	63278	26311	34652	26969	24212	29959	11064	34223	33404	32789	38422	34776	64717	57952	45738	46618	47935	29708	24338	17684	19484	45518	35882	35007	25668	32522	27312	69064	47400	32611	31058	30831	39475	40789	23575	284	0	0	80104	94213	0	32744	39517	29414	34351	17642	0	43682	23465	15557	32534	46825	29067	31882	36525	32055	26138	13652	26180	19628	30525	20335	27920	22988	38816	40687	47301	23153	28861	0	32000	34370	27313	30042	50263	31243	30337	27630	19553	28284	16461	23839	24864	15687	31343	42665	29620	40722	0	31954	37857	23808	19053	19834	41814	26809	41663	90991	25626	24410	0	24410	28592	Lipid	0.5416667	1.375	0.041666668
16	C24 H33 O13 N1	544.20245	544.2033	0.14399037	544.2025	124492	128218	130849	125463	95910	83827	81032	182485	116143	207148	99081	80679	170211	48886	156750	135783	73033	180750	199363	298259	249019	162155	142754	161348	133381	102979	67915	69390	175118	156903	139597	129249	140895	107101	246419	169807	147980	102387	59112	201655	99396	84894	3845	453	0	395277	259405	0	125152	159159	138401	131364	82674	366	212207	89936	66435	117334	166565	49534	193835	126549	124950	115226	51991	92299	88025	51235	105113	151132	95562	136116	132787	174573	83481	122956	0	106663	92332	111858	81133	212354	89968	115312	113608	91639	68769	64192	75772	56862	86044	137297	207921	95861	149145	1014	136618	173281	96118	58811	82062	148661	80289	168108	262909	112837	113614	0	84264	144825	Lipid	0.5416667	1.375	0.041666668
10	C24 H33 O13 N1	544.20245	544.2035	0.27755266	544.20264	16005	14190	14335	14061	9475	5125	13666	24216	9949	23122	9985	12859	16075	4195	13659	18630	13335	14914	16376	25108	26541	23317	14381	21087	6907	8932	10977	5965	19159	18210	14978	14124	17370	15691	29543	18782	15940	10085	10826	17583	16103	8844	0	0	0	24192	28649	0	18378	20212	16434	15862	6951	0	20198	7823	6248	15318	11162	13780	18242	11876	15949	12190	5243	7765	6838	11567	12627	10858	8869	17441	16209	23378	12229	14492	0	10448	13620	12266	11908	14076	12572	9031	13309	8139	11845	5491	7084	10943	7595	15678	25479	12406	18367	0	15724	22878	6679	6462	9777	21480	12034	22965	24466	13588	10386	0	10363	14380	Lipid	0.5416667	1.375	0.041666668
26	C28 H33 O10 N1	544.2177	544.21844	0.09636219	544.2178	8851	5686	8104	5202	8419	4744	0	0	10738	21793	10776	0	15048	4141	0	0	0	10282	10012	15641	21262	8347	0	0	0	24732	0	12172	0	0	2974	0	3368	4010	27090	0	5089	3149	3162	16939	22856	0	0	0	0	11266	11878	0	3275	0	8311	5443	5345	0	6477	9597	6602	6834	0	0	7348	8408	11564	4048	0	7733	7091	0	20974	34113	41238	3810	0	0	0	0	0	0	8240	0	4956	5189	0	9176	8159	0	5080	6429	3608	0	5689	3596	8786	5265	10317	0	8703	8660	5327	9490	6735	6988	0	0	0	4423	5096	0	0	10148	Phytochemical	0.35714287	1.1785715	0.035714287
12	C28 H33 O10 N1	544.2177	544.2187	0.22104414	544.21783	5437	6757	6335	5143	3168	3075	2717	0	6235	22572	7723	3933	5074	1206	2357	7325	4249	2788	5728	17488	23044	14875	5133	4485	3846	13843	2489	13397	2324	3442	3095	4719	6236	2744	35774	4929	5252	0	4374	15962	10621	3466	0	0	0	9240	8439	0	5052	5733	4663	5554	3195	0	3738	3132	2403	5386	0	0	0	8089	4255	4310	1350	3260	3622	6459	0	20775	24468	3972	2008	3539	2682	3190	0	1876	6372	0	3212	3273	3542	10695	1653	1792	4307	2020	3413	9561	7052	6377	8959	10246	12413	0	6212	9467	2903	3951	3233	2007	2369	3905	0	6265	1594	0	5416	4036	Phytochemical	0.35714287	1.1785715	0.035714287
10	C28 H33 O10 N1	544.2177	544.21875	0.26621374	544.2179	3692	3613	0	3831	2765	1336	3299	4705	2381	14038	5285	1365	1415	1733	1291	2140	1882	1445	3613	16633	13463	8191	1502	3192	3409	9426	0	3815	2574	1491	2593	2566	4684	2035	20298	1678	4331	1537	3668	8755	6853	1542	0	0	0	5011	5376	0	3301	2543	6398	2590	2109	0	2122	1980	1113	2258	0	0	0	6959	1814	2222	0	2459	2669	2173	0	14172	13202	2772	3469	1617	1972	2098	0	1451	3722	0	2322	2770	0	5872	1053	787	2721	1495	1431	6458	4513	4175	3602	5044	7942	0	5592	2799	0	3189	0	1603	1828	3493	0	2199	1805	0	1903	2417	Phytochemical	0.35714287	1.1785715	0.035714287
24	C28 H33 O10 N1	544.2177	544.21844	0.08457954	544.2178	25005	16799	21551	18965	21923	13546	6351	11131	19079	57651	35661	6683	34043	9207	12732	13231	4294	20488	29609	48711	56015	20283	13756	18626	11171	52445	5086	30638	15531	4439	9440	12512	15837	7276	76379	10555	14935	7850	7244	45009	31078	13890	0	0	0	28682	26498	0	10434	6431	22693	20223	12833	0	24522	23315	8216	7888	15065	6388	18023	31801	29390	12550	6139	28238	14844	7213	52218	75375	77362	10267	6716	7835	7927	8667	0	9482	18787	17554	9773	15454	9760	23512	20437	13408	17209	11432	12909	11489	19545	19150	24140	18838	37135	0	20276	20468	18599	19503	19519	11681	7409	17657	18083	13163	13825	0	10060	30056	Phytochemical	0.35714287	1.1785715	0.035714287
14	C28 H33 O10 N1	544.2177	544.2186	0.17850953	544.21783	12240	10034	14210	11030	7204	5358	6434	11896	6613	31749	13467	5948	8081	3816	5032	12139	8639	3524	8456	29569	38568	21079	6368	18366	8509	25647	7708	15823	8232	4714	9330	8748	11598	6581	43338	9157	5613	5457	10468	23443	23929	6217	0	0	0	21937	12811	0	10508	10299	16142	17471	4641	0	8513	6970	4085	8905	11772	7876	0	15424	6725	7051	3488	7174	8864	6633	17657	32101	30806	5423	7023	8021	6383	9185	0	5492	9747	0	5571	7835	8620	12698	4814	2906	12584	2922	6256	18201	15770	13194	17210	6026	17563	0	12733	6274	5333	4223	4227	8052	5295	9665	0	10284	3881	0	8871	8863	Phytochemical	0.35714287	1.1785715	0.035714287
8	C27 H33 O9 N3	544.22894	544.23	0.24190171	544.22906	11006	9866	9122	9720	1796	3820	7268	8978	2524	13042	4420	4872	6480	0	8874	12864	7828	0	5932	12272	17448	18052	12876	18634	19296	5738	6604	0	7672	7894	11210	8024	15916	9454	10788	8948	13226	12290	8818	25954	7228	4986	0	0	0	22236	7212	0	7188	10206	8858	11892	4844	0	5228	3172	3460	11812	2648	3346	12640	7130	0	3176	0	2706	5610	10882	0	8378	4136	10076	8508	8000	6884	5274	0	6946	12012	0	8442	5326	8544	10834	3038	0	10028	4904	6056	12782	23084	18608	31686	10804	16620	0	11318	7798	2758	2596	4426	15016	4886	19126	0	11814	0	0	11238	4312	Phytochemical	0.33333334	1.2222222	0.11111111
20	C25 H37 O12 N1	544.23883	544.2396	0.10662823	544.2389	120181	120137	137927	110358	90958	110783	67954	178047	125083	228570	64872	57880	192636	59903	158156	100611	42156	185525	201968	271347	187675	138067	125758	143402	167241	60183	53056	57916	174594	130263	128954	125803	144915	124396	276384	156782	162523	102386	40263	173901	37419	89211	2509	0	528	214284	79722	0	132944	121876	126551	115148	83752	608	254298	96245	54293	119543	172765	28262	133435	99368	158771	125985	56849	114435	85740	43304	52325	142841	47327	152046	130466	174144	56458	120866	0	125559	86144	49169	90596	92921	84109	77905	91534	74905	71952	53869	87058	47374	119650	168799	170462	55508	93116	848	120276	146936	84034	52733	74205	147396	79136	162667	123848	104831	71009	684	68950	176779	Lipid	0.48	1.48	0.04
14	C25 H37 O12 N1	544.23883	544.23975	0.1337071	544.23895	35332	31421	31459	27603	18311	15246	29142	63262	25467	46139	24782	21866	29300	9886	48976	49626	42906	31679	38003	63330	48035	32797	44153	59899	40870	22814	19361	14133	54642	54831	31679	36883	45792	35883	44583	53466	34440	35085	34690	27449	26732	31294	0	372	993	54086	46449	0	45233	47451	35121	36726	20343	399	38783	21042	16683	40665	49151	22644	41053	25181	24405	29312	12189	22992	19846	28846	17202	24576	20711	36585	35330	0	35727	36318	0	30357	34237	20057	28542	25464	23375	23376	30498	22134	30272	14530	19015	21379	29827	29645	48695	21756	29149	0	30040	55282	21796	19546	24322	38246	31365	55169	23069	27336	25271	0	29748	21370	Lipid	0.48	1.48	0.04
12	C25 H37 O12 N1	544.23883	544.23987	0.2870064	544.239	13159	12207	11900	7470	5575	5382	7999	22376	8311	11336	7138	10623	10494	3331	15678	11818	22529	9233	11803	19727	16114	10966	16323	16951	13619	7702	6113	0	23924	19394	16307	14882	17172	13929	20665	21631	17484	11092	13566	12587	5982	9795	0	0	0	25015	13747	0	15934	23603	10609	7904	6006	0	12001	5956	5016	14027	17981	12605	0	5811	9792	12107	4954	9810	7639	17857	0	8665	9379	13679	13763	20108	11570	13332	0	11039	11395	0	12231	8440	16180	9477	11707	5527	9546	6391	7985	14102	8761	12123	19754	7586	6901	0	13406	18752	8125	5438	8697	16433	11585	14450	0	13057	7028	0	11729	11109	Lipid	0.48	1.48	0.04
22	C29 H37 O9 N1	544.2541	544.2549	0.099726364	544.25415	166042	179800	164312	157093	159987	109901	86030	158888	151280	276916	232224	87476	147554	100063	133508	168180	117789	156250	180400	348447	339786	169124	142726	158905	154983	647048	90373	209010	123090	138219	114775	148339	159215	122150	591040	134603	164673	105608	124158	231162	169771	96823	0	0	0	145140	124092	0	147803	127425	181323	175492	138342	308	185085	143083	93328	165460	128738	88953	169575	152619	173218	143339	76164	159002	105895	132371	306310	818248	427147	123755	113355	125289	86841	132038	0	104428	184390	98822	145662	100883	115409	152980	182406	121371	165440	103387	106249	151718	173960	186724	193868	121228	146864	0	156081	157394	123423	167633	160822	183693	98696	175336	102521	129692	133731	0	125209	168627	Phytochemical	0.31034482	1.2758621	0.03448276
16	C29 H37 O9 N1	544.2541	544.255	0.17026624	544.2542	9553	9409	6937	9512	4086	4979	8045	8585	7821	12562	10833	6542	6366	3768	6563	16872	12998	6477	6305	31479	19844	12387	8464	14394	6486	24358	7911	14176	9746	12780	13738	8955	10490	6076	25070	10655	9224	6154	15817	17099	18941	6112	0	0	0	6652	13655	0	10305	9823	9413	12589	6238	0	6387	2664	4290	11956	3306	8887	17312	8398	4308	7316	3408	3013	5160	12116	15563	28398	30227	11178	9318	11501	9803	8419	0	5094	14346	12015	6114	5316	4440	12007	6766	2051	8840	4863	7921	30658	10515	11181	0	8184	14037	0	11667	11806	4748	3263	3398	13135	8537	10271	4637	0	4190	0	9050	3886	Phytochemical	0.31034482	1.2758621	0.03448276
24	C29 H37 O9 N1	544.2541	544.2548	0.086181946	544.25415	173750	172936	188400	155952	185482	125142	63140	144610	180072	322452	244642	80668	241480	107426	122010	152922	87970	153230	259742	394068	359106	158252	145996	167198	105108	653418	56624	238062	128138	110500	128654	128600	152618	130672	623980	134990	185420	99820	102802	266806	188996	99070	0	0	0	192328	126934	0	124158	109860	162010	163744	145234	0	206256	181536	79174	165774	115254	65558	149258	171066	206072	145214	65804	184182	126420	92890	379508	913576	492140	127704	122940	105312	66458	104886	0	90438	184812	99741	141286	118476	108822	169774	207312	122354	163386	87400	100008	108230	170531	174222	206688	113016	180760	0	158966	171828	126460	161838	178926	140142	77510	157716	96344	144096	159452	0	90886	195850	Phytochemical	0.31034482	1.2758621	0.03448276
26	C29 H37 O9 N1	544.2541	544.2549	0.11282675	544.25415	14128	12833	15019	10525	14622	7638	2692	12294	16021	26197	21643	6353	16025	10574	7638	13076	12628	11701	20774	35163	32755	12960	8686	13529	9821	57502	2910	23669	10767	6390	8025	10002	9842	9934	33664	10033	16209	6646	6617	25592	19522	9046	0	0	0	14586	8926	0	9975	9136	16936	12980	8236	0	16853	10616	6726	9639	9841	4873	11646	14591	12653	12931	4779	14460	12704	7041	54280	56081	66349	9495	7014	7052	0	8231	0	5472	10600	5502	7470	8948	7311	16842	24012	8621	11146	5901	8987	9636	10068	13994	15019	9126	10187	0	13470	13789	13720	20674	13964	13127	4036	13210	9942	6948	9770	0	9254	15199	Phytochemical	0.31034482	1.2758621	0.03448276
18	C29 H37 O9 N1	544.2541	544.25494	0.10498134	544.25415	24671	22589	19421	19776	11403	10656	11883	24239	9378	29601	25647	13352	11601	11523	21228	31857	19423	15279	24743	40973	43730	21807	19307	29533	18224	51948	13849	26432	18289	20899	22583	24228	26167	23289	33671	22765	25779	22088	27562	38059	37801	18884	0	0	0	18586	18538	0	21462	23548	20169	21775	16565	0	12498	7971	8146	28951	14288	19995	31595	16439	7995	15165	10058	9054	11327	25505	35088	54716	66098	14370	17463	17553	23358	23014	0	14334	20349	16421	16361	14627	16091	25658	12219	10076	24920	13225	14258	33997	33679	26881	40226	12574	28388	0	22593	22804	7160	6836	8894	25797	14890	32170	10242	20718	8463	0	21257	10288	Phytochemical	0.31034482	1.2758621	0.03448276
20	C29 H37 O9 N1	544.2541	544.2549	0.10547024	544.25415	181696	225914	196526	196874	179676	123408	119238	235564	225170	275430	243246	130464	198202	114428	185880	298658	197146	150458	229486	386868	398066	213940	170708	251535	193640	453244	141770	244680	159028	185198	178426	178106	233984	141686	305226	182776	214120	171232	222158	283052	260080	139800	0	0	0	184026	176526	0	169742	170818	186630	220748	171072	0	230980	180252	111118	208416	162518	151178	245952	171684	166654	159718	112958	150924	145636	226562	349564	485502	535628	170248	157000	190006	202170	184220	0	162952	265094	145208	194916	119388	158070	264962	229278	131866	264318	129356	124392	264778	247712	187102	344587	140316	168954	0	241320	234122	182568	190090	170028	285234	112190	251268	119698	222440	163008	0	215324	202994	Phytochemical	0.31034482	1.2758621	0.03448276
8	C23 H37 O10 N5	544.2613	544.2623	0.457103	544.2616	4197	4077	2843	4221	0	1329	0	0	0	1442	7246	0	0	0	0	0	0	0	0	0	0	965	0	0	0	0	0	83749	0	0	0	0	0	0	0	997	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6015	3364	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	868	0	0	0	0	0	0	0	96384	0	0	0	0	0	0	1812	0	0	0	505843	199497	2657	27551	8368	0	4176	4024	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4347826	1.6086956	0.2173913
6	C23 H37 O10 N5	544.2613	544.26184	0.22914833	544.2614	4145	6097	4054	5702	0	3235	0	0	0	0	8462	0	0	0	0	947	0	0	0	0	0	1160	0	0	624	0	0	83922	0	891	0	0	1356	1059	0	0	1856	528	0	0	0	0	0	0	0	0	0	0	0	0	5677	3551	0	0	670	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1296	689	0	0	0	0	482	0	143686	0	0	0	0	0	0	840	0	582	1169	398999	136858	1314	25027	6412	0	5975	4780	0	0	0	0	537	0	0	0	0	0	583	807	Peptide	0.4347826	1.6086956	0.2173913
4	C23 H37 O10 N5	544.2613	544.2625	0.22109495	544.2614	881	1771	1258	804	0	2005	0	0	0	0	1874	0	419	0	361	459	0	0	0	0	0	474	0	0	0	0	0	14536	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1776	706	0	0	0	0	0	0	0	0	0	0	0	0	0	352	0	0	0	0	0	0	0	0	0	376	0	0	0	72508	0	0	0	0	0	0	0	0	0	0	99062	23343	740	5386	1426	0	1338	2007	0	0	0	0	0	0	0	537	335	0	0	358	Peptide	0.4347826	1.6086956	0.2173913
20	C26 H41 O11 N1	544.2752	544.276	0.062354375	544.27527	64313	50470	57885	59768	45309	44371	44077	84207	67553	78536	28685	38774	82794	29785	84312	66187	33447	85102	97174	94886	58616	53758	70101	80507	77497	23933	31969	28181	91608	68890	66788	71280	83953	62696	0	83951	91760	54785	26977	55861	14040	39663	829	0	0	50534	19840	0	63275	61171	72523	58284	49831	0	113564	51701	32307	67286	77257	15094	74861	38008	68220	69447	29785	53139	53398	26162	15705	48021	15271	62300	70203	83815	37932	58885	0	51699	59782	17859	42225	26637	61858	39324	50539	43542	48915	27174	40986	24901	65291	80633	103984	20255	33739	0	57114	65093	37089	35047	47932	83569	45244	80089	33388	65524	47468	0	43607	75794	Lipid	0.42307693	1.5769231	0.038461536
24	C26 H41 O11 N1	544.2752	544.27594	0.059729386	544.27527	18454	17716	20589	21514	13404	18738	10783	28124	20662	42193	7486	6446	40970	11801	23165	12849	3764	38681	44962	35664	22390	24631	22984	23069	20142	6555	6236	9758	27380	12876	21533	18915	25617	17866	50586	22732	39996	16023	5204	16839	3357	10356	0	0	0	22565	2604	0	18022	15642	22160	17121	14734	0	44715	12187	7471	18529	30420	2823	18211	12138	29790	25184	6860	27441	13726	6269	0	19276	2304	18460	16226	26078	6115	14778	0	15271	12037	5965	14215	5200	14810	9797	15307	11273	10970	6540	13258	5067	24503	29146	26183	6391	13974	0	24445	25543	8624	10541	12109	17834	9869	22986	10623	16011	9511	0	7509	42904	Lipid	0.42307693	1.5769231	0.038461536
14	C26 H41 O11 N1	544.2752	544.2761	0.21385242	544.2753	0	3709	4004	3561	2213	0	5547	8601	0	3033	0	4476	4931	1611	7483	11379	8980	2369	4953	9094	2471	0	5514	4570	6742	0	8165	0	9606	8110	7997	0	6185	4231	4024	11432	4997	5535	4585	2946	0	2950	0	0	0	2967	0	0	5163	7351	5131	5350	3007	0	4767	1651	2351	6631	0	0	0	0	1834	1381	3130	2460	2931	8368	0	3489	2458	4819	8243	6558	6555	3716	0	5491	4685	0	3616	0	3494	3328	4165	3421	5498	1753	3253	8637	25023	10263	7004	0	1582	0	5334	6115	2731	2728	4113	8045	3411	7526	0	3774	4733	0	5169	2838	Lipid	0.42307693	1.5769231	0.038461536
18	C26 H41 O11 N1	544.2752	544.27606	0.122967884	544.2753	39590	29810	32604	35625	24375	16874	33389	55649	27896	38425	23273	30499	39931	11306	50111	47036	24988	35796	54325	42314	28354	23925	43214	59235	45671	15451	25248	16440	69842	44752	46532	52300	41785	44067	36207	63926	39928	38061	25506	25740	11797	28077	1006	0	0	37263	16616	0	43602	43754	36134	31943	24887	0	50840	29043	19153	40219	42769	12612	46818	14645	32326	38252	16436	27537	29916	22928	11701	15416	12944	36218	35166	49879	34283	40168	0	38185	35357	17152	31634	14749	35606	15812	27594	30524	33916	15249	24135	19408	36629	34597	66637	11045	24901	0	37392	38866	20048	26426	32860	59750	25233	43392	14429	31789	20295	0	34803	32436	Lipid	0.42307693	1.5769231	0.038461536
26	C30 H41 O8 N1	544.29047	544.29126	0.0777215	544.2905	22752	23056	22099	23349	25514	11393	9779	26409	20581	22548	28838	8917	20334	16798	15047	26251	15594	11544	32230	44785	41406	17366	17424	31866	17453	81451	7792	35729	21454	25258	19452	25919	26151	24826	34642	31051	23013	13238	19727	36687	31194	14192	0	0	0	27052	15494	0	20748	18250	21782	21164	18472	0	19892	27405	12294	23919	15367	12437	29092	21999	18505	15775	9802	19782	15076	17250	65330	71374	66473	21845	20217	18881	10529	17048	0	15080	21098	20575	14984	13002	18356	34000	27803	10254	28207	12126	15553	22521	21624	26141	26002	19874	20805	0	24835	25730	16968	25186	26328	26659	11339	28840	16785	20509	12764	0	13378	18007	Lipid	0.26666668	1.3666667	0.03333333
24	C30 H41 O8 N1	544.29047	544.2912	0.0755602	544.2905	33922	38219	43048	42610	38204	25801	24892	44037	33372	42336	46465	24129	37469	24726	25746	43311	41593	34001	55310	72774	70024	37313	31332	46660	32376	113912	22896	47718	39586	36401	32236	46415	47748	40473	50679	40401	46283	28397	40109	66081	53116	31037	0	0	0	38139	33158	0	41448	33359	38944	34467	35941	0	32614	31348	18804	46569	30394	23802	46758	38818	29188	24977	13063	32210	31289	33334	88268	114174	115888	32954	28105	34833	25950	33320	0	29935	39447	26203	28814	22751	27786	43521	40937	23924	40187	27118	33086	36382	44594	47793	60641	27256	38888	0	39287	41848	26061	35078	42623	54916	21044	47891	23725	43264	37400	0	29431	35216	Lipid	0.26666668	1.3666667	0.03333333
22	C30 H41 O8 N1	544.29047	544.29126	0.063166186	544.2905	31403	33530	28416	27224	28291	21568	18375	38258	22093	26592	37316	22271	19704	17135	24983	43978	37197	18379	29800	50699	46302	20606	28862	37229	28660	80729	18205	38097	30949	30801	27634	43291	39947	29657	35200	43943	37231	22571	36716	33129	39903	23005	0	0	0	27645	20405	0	28165	34489	29646	26362	24977	0	22865	23254	18388	39458	22562	25953	45748	25459	22220	17752	12389	25093	25940	43034	54192	78246	81902	26665	23898	27783	30077	28533	0	23740	30011	22273	24776	15802	23620	23895	27181	21521	39474	24946	28295	39792	41943	39301	50140	20428	29662	0	27045	31302	19298	25277	23608	37402	18900	44568	19383	34199	25915	0	26061	18342	Lipid	0.26666668	1.3666667	0.03333333
20	C30 H41 O8 N1	544.29047	544.2913	0.15106149	544.2906	11647	9813	12492	11934	7839	6683	11481	12684	6772	10777	14541	11629	4505	6069	10028	20747	18988	8005	11900	18702	17847	12231	6086	17142	8593	32099	11769	11088	16282	15771	9279	18343	18144	11671	12171	14589	12727	7706	24523	13114	15065	12655	0	0	0	7459	13103	0	16488	15380	17621	14711	7192	0	6586	7562	4083	15660	10764	15537	16559	6287	3870	4940	7490	9668	10157	24844	21246	26171	19177	13043	12574	11993	15937	15299	0	9310	16316	10508	11257	5116	10513	8912	8245	7262	16754	7637	9427	31085	20892	14383	22316	14777	11259	0	12166	12996	5470	6818	7169	15839	7078	16919	4838	15945	7634	0	13405	4279	Lipid	0.26666668	1.3666667	0.03333333
8	C23 H45 O13 N1	544.2964	544.2975	0.37796852	544.2966	4950	5289	4018	3437	3969	6006	0	0	1107	0	3794	0	0	3364	0	1463	0	0	0	0	0	1188	0	1720	1352	0	0	43098	0	0	0	0	0	0	0	0	0	0	0	0	0	3768	0	0	0	0	0	0	0	0	6164	3573	2072	0	7416	0	5768	0	0	0	0	0	0	7504	6166	3625	6439	0	0	0	0	0	0	0	0	0	0	0	0	303490	0	0	0	0	4741	0	0	0	638	0	409994	152404	0	27339	3856	0	4031	3233	1246	0	0	0	0	0	0	0	3552	0	0	0	Lipid	0.5652174	1.9565217	0.04347826
12	C24 H41 O9 N5	544.2977	544.29816	0.14872238	544.2978	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15194	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59714	0	0	0	0	0	0	0	0	0	0	85682	31173	0	6067	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.7083334	0.20833333
6	C24 H41 O9 N5	544.2977	544.2989	0.28129852	544.29785	2148	2458	2175	1201	0	5438	465	0	0	0	1563	0	0	0	0	2300	1195	0	0	0	0	0	0	1961	1163	0	577	23419	981	0	0	707	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1867	1436	0	0	0	0	0	2631	0	0	1393	0	0	0	0	0	0	1660	0	0	0	0	0	0	0	803	0	0	712	159243	0	0	0	0	0	0	943	0	0	0	157311	58947	2108	11857	0	0	1595	2078	0	0	0	0	0	0	0	1991	0	0	828	0	Peptide	0.375	1.7083334	0.20833333
10	C24 H41 O9 N5	544.2977	544.29834	0.21995127	544.29785	3572	3842	5594	4624	0	4124	0	0	0	0	6440	886	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	86208	0	0	0	0	1236	0	0	0	1967	0	0	0	0	0	0	0	0	0	0	0	0	0	8526	4202	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1219	0	0	0	0	0	0	0	0	0	0	0	394040	0	0	0	0	0	0	0	0	0	0	599416	183038	0	32488	4738	0	6670	5738	0	0	0	3061	0	0	0	1705	0	0	0	0	Peptide	0.375	1.7083334	0.20833333
24	C27 H45 O10 N1	544.31165	544.3123	0.06077031	544.31165	13627	15361	13605	10044	10056	9931	32618	17527	18903	12762	3855	4687	21617	9917	18168	13552	4467	23035	39125	13078	6172	7742	12444	12602	17675	1671	16188	7526	22954	13298	16280	19924	24819	15754	18887	21470	26981	8532	8578	9514	1603	9243	0	0	0	9037	0	0	15937	12248	16038	8890	9678	0	31978	12255	6196	14708	16811	2128	11956	3400	22316	11725	5081	17376	13459	4431	2578	5024	3280	16438	14526	24587	6656	13333	0	11990	7662	0	7382	2566	21953	13277	9359	9124	9453	6154	10539	2613	28102	26789	24175	2409	7138	0	9961	15985	5932	7390	7401	20446	8077	15045	9582	14902	5861	0	6690	20524	Lipid	0.37037036	1.6666666	0.037037037
22	C27 H45 O10 N1	544.31165	544.3124	0.09983196	544.3117	12187	10198	12160	9888	10175	9299	35133	20837	9359	6711	4770	7864	21035	8823	20026	14856	7257	17046	23144	8137	5691	5764	12998	14590	14129	3251	21461	6789	20412	15563	19274	23477	21454	14507	7667	22094	23334	14898	9987	5557	1805	7992	0	0	0	8267	2211	0	18495	14168	13311	10250	10715	0	32075	15304	7183	18922	14134	2647	17022	4456	15908	11875	10666	14394	12104	5052	0	4229	0	15873	15613	20951	9885	16381	0	15276	10038	3407	10145	1622	38519	14709	12599	12112	14832	6852	12128	6793	16261	18489	14961	3831	3019	0	9621	15788	7226	13543	14816	23763	11007	14260	4789	16537	9300	0	8667	18214	Lipid	0.37037036	1.6666666	0.037037037
24	C31 H45 O7 N1	544.3269	544.32764	0.14665078	544.32697	9630	8245	8936	8847	6926	6043	6752	10204	6621	6508	9943	8068	4152	4959	8143	16199	15635	4976	12685	8479	3663	1764	8631	15192	12549	25793	9331	11713	12546	15645	12558	14524	16735	8575	3632	17219	12528	9295	19016	8878	12973	9340	0	0	0	6028	5727	0	13786	11055	5342	7668	7051	0	10772	4586	3611	11157	8679	8354	18199	4125	3294	6737	3448	6726	6583	20602	10559	12873	13464	7714	10533	11806	10439	14748	0	7545	13277	3858	8521	4700	12546	8435	7868	5933	12692	7292	5689	17867	12451	13786	13505	3600	6399	0	9313	7959	5908	5542	5407	20075	6348	15420	3529	13394	5839	0	10503	6682	Lipid	0.22580644	1.451613	0.032258064
26	C31 H45 O7 N1	544.3269	544.32764	0.082115225	544.3269	9161	9136	10039	12786	11997	8486	9783	19855	13196	5890	14385	7670	5361	6335	9381	15888	15402	5483	9866	18235	15221	7623	7341	15726	13934	29834	10155	17077	20677	20876	11921	19547	21697	14613	6697	23322	16273	8537	13236	12751	12361	12410	0	0	0	9118	0	0	18678	18138	11329	12193	10402	0	16701	9398	8336	17687	10794	6306	16936	8202	5864	8769	0	8321	12678	17605	23108	17486	16523	13345	15327	16432	7431	16043	0	11726	12249	8857	6609	6571	12551	13230	14998	9322	18520	5383	10508	13213	12572	17060	11806	9455	5690	0	9983	8321	8447	16664	15724	26496	8945	21137	0	12056	16320	0	14798	8573	Lipid	0.22580644	1.451613	0.032258064
18	C24 H49 O12 N1	544.33276	544.3335	0.16598925	544.3328	2552	2779	1536	0	0	0	1873	1630	0	0	2084	2446	0	0	2399	1909	1478	0	0	0	0	1777	0	1385	0	0	7386	8490	0	0	0	0	0	0	0	0	0	2312	2479	0	8776	1216	3063	2946	1521	2891	3441	2562	0	0	2193	1956	0	2392	0	0	1674	4034	5733	5891	10459	2862	0	0	8000	2089	0	2576	4091	2544	2613	0	0	0	0	0	2097	0	0	11959	0	3088	0	0	0	2935	0	2098	0	0	55948	15018	0	2337	0	1909	0	0	0	0	0	0	1551	1900	26836	0	0	3423	0	0	Lipid	0.5	2.0416667	0.041666668
10	C25 H45 O8 N5	544.3341	544.33514	0.41437694	544.3343	2186	2086	4183	3222	0	10665	0	0	0	0	1652	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	61463	0	0	0	0	0	0	0	0	0	0	0	0	0	1278	0	0	0	0	0	0	0	0	2353	2761	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	243328	0	0	0	0	0	0	0	0	0	0	460112	212433	0	18784	1587	0	3988	3283	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.32	1.8	0.2
14	C25 H45 O8 N5	544.3341	544.33484	0.20441706	544.3342	4253	5321	4728	4020	0	1637	0	0	0	0	3996	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	76809	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2155	2980	0	0	0	0	0	0	8166	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	168212	0	0	0	0	0	0	0	0	0	0	822265	328942	0	13381	3080	0	3928	4035	0	0	0	0	0	4873	42656	0	0	0	0	0	Peptide	0.32	1.8	0.2
12	C25 H45 O8 N5	544.3341	544.3351	0.3372729	544.3343	6151	4651	4980	6072	0	9277	0	0	0	0	4214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	119919	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4519	4763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	355058	0	0	0	0	0	0	0	0	0	0	640443	387115	0	32967	2460	0	2814	6397	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.32	1.8	0.2
16	C25 H45 O8 N5	544.3341	544.3343	0.020524707	544.3341	0	0	1900	1915	0	0	0	0	0	0	1519	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	998	11347	0	0	0	0	0	0	0	0	0	0	0	0	2224	0	532	595	267	0	1948	734	0	0	1800	3475	0	0	0	0	0	0	0	3918	10244	0	0	0	0	0	0	0	5380	0	0	0	0	0	0	0	316	0	0	35815	0	0	0	0	0	0	0	0	0	0	332176	115134	0	5559	0	0	0	0	0	0	0	0	0	0	5277	0	0	556	0	0	Peptide	0.32	1.8	0.2
8	C25 H45 O8 N5	544.3341	544.33484	0.45240477	544.33435	0	0	1294	0	0	693	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16130	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	857	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	89862	0	0	0	0	0	0	0	0	0	0	68334	25462	0	4535	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.32	1.8	0.2
16	C28 H49 O9 N1	544.348	544.34814	0.07041035	544.348	0	0	0	0	2048	0	2296	0	0	0	0	0	0	0	0	0	0	12912	0	0	0	0	0	0	0	0	0	0	0	0	0	25292	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4879	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.32142857	1.75	0.035714287
10	C32 H49 O6 N1	544.3633	544.36346	0.035793856	544.3633	0	0	0	0	0	0	37072	0	0	0	0	6485	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44846	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1648	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5668	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5882	0	0	0	0	0	0	0	Lipid	0.1875	1.53125	0.03125
18	C25 H53 O11 N1	544.36914	544.37024	0.20749028	544.36926	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2786	0	0	0	0	1824	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1632	0	3852	0	9515	0	0	0	0	0	9285	0	0	0	0	0	0	6288	0	0	2901	0	24230	3981	0	0	0	0	0	0	0	3476	0	0	4507	0	0	0	2328	0	0	0	0	0	0	0	0	0	0	0	0	2638	0	3467	0	4529	6810	0	0	0	1556	0	0	0	0	0	0	4368	37408	3929	0	0	0	0	Lipid	0.44	2.12	0.04
22	C25 H20 O14	545.0926	545.0935	0.3194153	545.0928	13607	6182	14325	8196	23257	9538	0	0	23516	20851	8461	0	47427	8712	3979	0	0	20874	24881	9082	11262	27292	8578	2961	2291	2781	0	2893	0	0	0	0	3032	0	19690	0	2234	6193	0	5302	8084	3120	0	0	0	16105	19912	0	0	0	10150	8391	14939	382	29469	25699	8417	1482	2593	0	2054	4915	54453	23205	8291	30332	5333	0	3031	4956	2619	0	0	0	0	0	300	0	11948	13706	9363	16755	1874	2880	35558	12272	7260	5864	6790	2065	3197	0	2758	28768	30937	0	11662	8631	22545	31429	25431	2058	1476	0	16498	2001	26161	0	2876	48882	Phytochemical	0.56	0.8	0.0
24	C25 H20 O14	545.0926	545.09344	0.22685996	545.0927	5866	6297	8499	6804	17662	8495	0	0	18384	10929	3427	1113	33695	5667	1885	0	0	21875	18854	4887	10050	18065	4250	0	1457	1594	0	0	0	0	0	0	1379	1174	15896	0	2199	2494	0	1429	4327	1887	0	0	0	5851	15419	0	0	0	6631	6776	9558	0	23951	16022	6329	1122	2702	1550	0	4916	31448	20128	4570	18414	1846	0	3258	3592	3613	0	0	0	0	0	0	0	7489	11185	7861	9642	1056	2832	27737	8302	6708	2830	4225	0	2845	0	1500	16994	25584	0	6352	6154	10521	20387	19176	0	1201	1788	8835	1785	17327	0	1269	37421	Phytochemical	0.56	0.8	0.0
16	C25 H20 O14	545.0926	545.09357	0.3587568	545.0928	12521	15937	10061	13048	33868	12331	2430	0	37816	22508	15987	1882	61143	8339	3261	0	0	25497	32432	12130	24704	28663	7281	0	0	0	0	3104	1986	1600	1235	0	2205	0	40448	1917	0	4545	1890	7634	12885	5930	395	0	0	18041	25134	0	1496	1037	11747	10411	13633	0	31169	32149	8771	3598	3651	3862	0	8471	65716	25256	9398	28982	9170	3248	6230	2972	4448	1457	0	0	1980	1576	0	2826	13593	20155	9787	24014	2021	2117	43831	12984	7345	6367	4976	0	0	3288	0	42275	37817	0	12661	9921	26898	43720	36468	2428	2542	0	18858	0	26644	0	1696	45042	Phytochemical	0.56	0.8	0.0
26	C25 H20 O14	545.0926	545.0935	0.30805993	545.0928	3986	5882	6622	4894	11964	7107	0	0	15574	9778	4524	0	35211	5479	0	0	0	21206	16437	6380	7741	16615	0	0	0	0	0	0	0	0	0	0	0	0	15489	0	2301	0	0	3325	3672	0	0	0	0	6397	7766	0	0	0	7164	5027	8326	0	20973	12311	6608	0	0	0	0	3285	28469	14534	3713	18584	3413	0	0	4825	0	0	0	0	0	0	0	0	8797	0	5667	5137	0	0	19036	7230	6057	0	3653	0	0	0	0	13983	19412	0	6067	7714	9047	15232	16628	0	0	0	0	0	8809	0	0	34016	Phytochemical	0.56	0.8	0.0
18	C25 H20 O14	545.0926	545.0934	0.2019846	545.0927	17273	19649	13978	18652	40788	16174	3444	0	37500	28169	9454	1515	68650	15158	4080	2644	1511	34929	36766	18144	22270	48370	11123	2451	3661	2504	2539	2812	0	0	1447	0	4246	0	43402	0	3513	5781	0	10318	13321	5093	866	0	0	24452	32853	565	2404	0	19141	14220	25549	0	37443	30282	12539	3460	4343	3734	2437	10773	81187	25980	11090	46714	7821	0	4848	3247	6926	2324	0	0	0	0	0	2658	16636	25914	13241	28689	3546	2359	48798	21638	12161	6186	5873	2157	3689	7092	3545	47578	42262	0	15080	18541	37055	50411	41519	5025	2290	2658	24296	2738	33007	0	2655	57238	Phytochemical	0.56	0.8	0.0
24	C26 H24 O13	545.12897	545.1298	0.29033616	545.12915	9531	10908	10504	10882	17639	11368	2537	1177	23938	40335	10248	1684	36893	7492	5899	3015	0	24111	17654	20177	21243	26195	7779	3191	2939	4199	0	5646	1767	0	1763	0	4633	0	46541	1462	3999	4033	0	11152	7353	2651	0	0	0	21912	27663	0	2202	0	14318	11630	12176	0	29148	19458	7107	3772	3138	0	1728	10650	46020	19964	5898	24186	5111	0	10917	14231	11067	2405	1088	0	0	0	0	2739	11131	12592	9679	24327	1600	4363	26907	15164	6930	2538	4853	0	3567	5341	1618	22708	35050	0	11261	8101	11234	16366	23671	2609	1564	4101	17923	0	13767	0	2175	42807	Phytochemical	0.5	0.9230769	0.0
22	C26 H24 O13	545.12897	545.1298	0.28109366	545.12915	22653	21661	22655	22620	33161	23266	2930	3637	48927	64328	24075	3833	59102	16225	8800	3695	0	46249	33546	33357	42999	53820	11037	6366	4077	13653	2169	12213	3618	0	2841	0	4627	5161	73414	1922	7513	7536	1659	19098	16719	6987	0	0	0	46227	41910	0	2289	1267	21238	22478	21427	0	40265	31296	11676	5547	7013	1890	3709	15198	63039	27463	11639	40326	12384	0	12421	29413	29711	3559	0	0	0	0	330	5603	17014	26911	17825	39078	0	15191	40759	23919	16455	8226	10541	4432	9421	12660	9540	36938	66893	0	19544	13771	30946	35832	32815	4051	3533	5571	35364	2895	29679	0	6716	70724	Phytochemical	0.5	0.9230769	0.0
12	C26 H24 O13	545.12897	545.12994	0.2265304	545.1291	9826	10497	8143	8195	10075	3652	3312	3867	13411	28851	15489	0	15569	3202	2682	3382	1870	9028	10027	12732	15021	18693	6099	5290	0	6472	0	0	1922	2283	1480	2458	4346	2785	48462	1617	1865	3161	3693	7736	20803	3384	0	0	0	17019	23434	0	2449	0	11020	12458	5952	0	13616	10270	4962	3001	0	0	17497	7723	21978	8809	4927	10349	4531	6007	0	12903	15412	1419	1965	1633	1940	3411	0	2764	9978	0	6885	16294	2176	5597	13026	7958	7252	2388	2709	3778	0	5260	5612	19377	21089	0	13636	16582	11053	17150	10734	4629	2415	4583	0	4333	11028	0	4057	17015	Phytochemical	0.5	0.9230769	0.0
20	C26 H24 O13	545.12897	545.1298	0.18391077	545.1291	34856	33588	33180	25043	52865	35784	5727	4890	57415	98161	38919	6645	95673	25357	9897	8883	2275	66642	57284	52039	57868	81713	17014	9138	12998	33860	6922	26172	4819	3131	4952	6406	11130	6920	155219	5340	16132	11232	6116	37375	22108	10079	1055	0	0	65626	78301	564	7372	3734	35768	38315	33217	0	54938	51508	20421	10991	13526	6236	9029	30252	99788	53538	16791	65312	18458	5611	23472	43694	33257	6199	3976	1789	1426	4597	0	8464	34165	42534	22257	62433	6519	23218	57765	35269	28701	11446	14369	5537	11811	23406	10815	68353	80931	0	32825	34193	44028	60972	53668	7180	7615	11178	52006	7510	47665	0	8537	97039	Phytochemical	0.5	0.9230769	0.0
26	C26 H24 O13	545.12897	545.1298	0.2762853	545.1291	5626	6266	7328	6233	11615	7180	0	0	14133	22436	4480	0	29554	5424	0	0	0	14805	13011	11814	12626	14669	0	0	0	0	0	3586	0	0	0	0	0	0	25472	0	1580	0	0	5214	5275	0	5519	0	0	14434	17494	0	0	0	8372	6682	7782	0	11789	12797	4072	0	0	0	0	0	29530	13716	0	10790	2183	0	7818	13155	7846	0	0	0	0	0	0	0	7645	9476	6670	10379	0	3804	13329	0	3873	2743	0	0	3207	1902	0	11863	18323	0	5780	5721	8800	9708	9369	0	0	0	6526	0	7795	0	0	27081	Phytochemical	0.5	0.9230769	0.0
10	C25 H24 O12 N2	545.1402	545.14124	0.29025152	545.1404	3739	3946	3663	4187	4906	2096	3013	1409	5540	14190	7743	1393	8799	0	1335	1821	2052	3777	5404	6463	13352	13670	2060	0	0	1993	948	2584	0	0	1035	0	3531	0	20804	1404	2250	878	1167	9312	14687	1477	0	0	0	9508	18963	0	1926	1277	5780	3328	2365	0	9209	5865	2628	1761	0	2316	0	4342	10980	6067	1783	3586	3061	1702	0	2614	5208	0	2236	0	0	985	0	857	5046	0	1984	7797	1350	2612	5390	1646	3952	1881	2189	0	0	3228	3800	11778	10411	0	4121	4578	3824	7187	4763	1247	897	2618	0	2268	4819	0	1117	9577	Phytochemical	0.48	0.96	0.08
16	C22 H28 O12 N2 S1	545.14355	545.14453	0.25896057	545.14374	13345	16826	18473	17995	12329	7239	3308	4382	19451	34067	14112	3940	24908	4199	6625	6480	3021	15709	16678	23713	30768	44307	10385	9252	6633	3963	4968	9043	3326	2417	3252	0	11953	1807	50550	6029	7545	4657	4160	26969	22699	6040	279	0	0	35809	45890	0	4948	4633	11736	17433	8458	0	22416	9665	5924	9688	6787	5743	0	18022	31568	18702	3514	20934	4785	0	10447	11026	11132	3454	4400	1445	4631	2562	0	2752	10203	28174	5235	23963	4931	13273	16653	9366	8882	8184	4610	0	6530	18133	0	32264	42496	0	12271	5255	12248	18523	13988	3727	4251	6177	28993	0	10269	0	5804	29673	Organosulfur	0.54545456	1.2727273	0.09090909
12	C18 H33 O15 S1 Na1	545.15106	545.15186	0.21296978	545.1512	19374	20888	0	9186	12818	9623	10324	13358	23348	31889	12280	10813	33108	6803	15011	16274	13331	21794	27845	23786	24943	41824	18567	18982	7184	1293	5524	0	13003	8759	2594	12880	21073	14608	27478	11660	16851	16941	16443	12622	13038	11044	0	0	0	42874	62297	0	17349	6872	17106	15423	16725	0	34018	15415	13708	21746	0	0	0	12265	39630	29289	11134	24712	14582	0	0	1357	0	11488	11142	9693	6440	14210	0	9471	20529	0	12253	28198	9291	7070	20238	12296	15920	12892	10911	9696	10412	11169	20610	28900	23258	0	23631	17380	3602	15020	13208	16221	11897	3025	0	14969	17577	0	11593	30352	Organosulfur	0.8333333	1.8333334	0.0
28	C27 H28 O12	545.16534	545.16614	0.29420206	545.1655	5440	4594	4706	4977	7939	4028	1674	0	7956	18912	4757	0	15446	4061	4229	0	0	10145	9307	10794	12818	8039	2658	0	0	8755	0	3785	0	0	2039	0	0	1766	21324	0	3520	1793	0	6407	4602	0	0	0	0	7767	6116	0	1983	0	6225	5416	4038	0	11986	6917	2107	0	1940	0	0	4823	13665	7849	3026	11704	2586	1543	9170	14321	16601	0	0	0	0	0	0	0	5140	5645	4824	4566	0	4640	9709	5617	4273	1921	1994	0	2869	3867	0	6256	10960	0	6949	6237	4838	8539	12373	0	0	0	3831	1515	6585	0	2322	15082	Phytochemical	0.44444445	1.037037	0.0
18	C27 H28 O12	545.16534	545.1662	0.16198482	545.16547	88244	90329	81831	72090	83996	51485	29982	40588	97939	269113	121833	28413	119206	51121	45091	44508	27503	99420	116006	181229	170173	124152	45058	53038	31909	130546	24970	95459	44893	28148	38063	37967	51410	42354	317319	33366	50577	40496	25483	128431	88666	33585	1547	0	0	144467	124799	0	35070	34611	73572	77837	50611	252	91945	72213	39752	43895	44509	24695	40231	78678	136085	81455	35729	94729	53627	23488	99702	172725	153804	41617	28223	32830	24700	47680	0	31724	64781	74774	55980	119650	29676	81783	88525	58715	61159	37562	39651	41535	49201	62963	54513	94439	148631	0	78050	69917	86725	80899	77326	38568	28229	52309	90028	34148	57930	0	35984	108597	Phytochemical	0.44444445	1.037037	0.0
24	C27 H28 O12	545.16534	545.1662	0.26824638	545.1655	20937	27517	17350	18611	33336	16848	2695	5730	34822	75829	27282	5040	61139	13122	12275	7274	3208	35864	31125	51386	47116	32080	11058	11925	7165	30220	3903	18992	4178	3923	5837	5607	7892	3231	90581	3585	7615	6773	0	29460	18526	5078	0	0	0	32669	38559	0	7350	3859	23779	20904	22347	0	35379	30779	14103	8737	7769	4589	7192	19119	56081	28970	12580	31800	11382	2997	30016	66301	49868	6049	3306	2887	2181	4235	0	5939	17922	19681	18203	29950	4030	17038	41129	16688	16532	5827	10468	7819	10404	14525	13077	32032	40896	0	27885	22757	27999	35735	31576	4948	5090	9192	24654	5491	28678	0	6045	61199	Phytochemical	0.44444445	1.037037	0.0
16	C27 H28 O12	545.16534	545.16626	0.17709273	545.16547	66157	56061	59941	56660	51194	31630	24982	35518	64636	181772	89757	27175	82581	29171	27329	40284	22874	59969	62142	121404	127198	84344	39031	32666	30168	84097	23526	65679	28022	28828	28243	33616	33585	25167	489338	27730	41378	27857	24997	79663	76527	20840	829	0	0	86205	94218	0	37192	30425	61087	56797	44870	0	58509	47283	22695	34990	36656	26426	35705	53572	78331	46925	21643	49849	36551	21972	68610	113818	105877	38859	27173	25960	24276	29932	0	23188	50565	56163	33725	75963	26259	65976	64918	35522	45574	21230	28056	38836	29234	44316	37145	79588	99085	0	74965	50333	54325	58003	51603	28057	23482	30450	66807	29511	47076	0	33536	66668	Phytochemical	0.44444445	1.037037	0.0
26	C27 H28 O12	545.16534	545.16614	0.30651733	545.1655	8310	11085	12412	7391	18732	9028	1556	0	17462	39193	11792	0	42797	8478	0	0	0	17982	17098	27317	27583	19017	0	0	0	17040	2744	8752	0	0	0	0	6036	0	42609	0	5566	4048	3486	14683	12062	0	0	0	0	15225	18825	0	3189	0	11823	11998	8533	0	21200	16404	5139	3949	4748	0	0	12856	30683	15425	5693	19851	5382	0	19174	31548	28575	4569	0	0	0	0	0	0	9597	10666	9097	10806	3377	8052	21519	10566	7160	3631	4465	2571	6914	6514	5604	15541	22164	0	11990	8284	13583	17308	22158	0	0	0	10485	0	14092	0	0	28562	Phytochemical	0.44444445	1.037037	0.0
22	C27 H28 O12	545.16534	545.1662	0.18707652	545.16547	46389	41106	44602	41227	60125	41540	8301	18422	76892	174121	65747	11506	91425	37070	20401	18905	8687	83106	67822	102199	92581	74535	24252	18532	23237	83045	11445	42429	13514	10350	11945	10997	23413	11917	172775	11048	22422	17809	11192	64084	47923	17505	0	0	0	90835	71945	0	13931	13784	43918	47352	37605	306	67051	58482	25174	20821	19571	8300	19660	49995	104297	56329	21780	65947	25907	8969	57168	108565	92168	14508	10614	7583	8512	9709	290	13616	39873	29436	30011	61648	15966	46892	74317	38189	26878	16229	19564	11693	33223	35011	25359	58790	77489	0	50375	47852	57783	67978	60390	16611	14133	18747	62710	18028	44410	0	14677	106852	Phytochemical	0.44444445	1.037037	0.0
8	C26 H28 O11 N2	545.1766	545.1777	0.22483447	545.1767	5494	4410	4768	4848	4107	1651	1920	2233	4256	16986	7461	1716	8645	0	1489	2629	1762	3175	3471	8327	12968	11943	2700	5491	1765	2881	1201	3964	2409	984	1427	2563	2593	1601	20066	3102	1716	1176	3547	9796	10699	0	0	0	0	6601	10194	0	2520	999	3141	5077	2727	0	4733	4472	1318	2544	1230	2095	0	7555	5857	4891	0	4697	2177	5950	3845	10052	8375	2504	2518	0	0	2203	0	1527	3853	4250	2303	4666	1533	5997	3355	0	4201	2667	2988	5060	0	0	4403	8645	9313	0	6559	5112	4618	3803	3607	2813	1534	6543	0	1892	3845	0	2217	5294	Phytochemical	0.42307693	1.0769231	0.07692308
16	C26 H28 O11 N2	545.1766	545.1775	0.17605244	545.1767	25790	23059	22035	27165	21485	13325	9859	20779	23390	63434	26870	8864	30537	9151	18610	13201	5707	25988	31176	46619	53806	42945	16152	24498	19804	19903	10949	19801	14054	9596	13395	11856	20365	11145	88517	10958	24392	11423	10711	56188	40694	13127	391	0	0	41534	37043	0	22007	16735	22677	29168	19007	0	32771	16037	12447	16047	19574	7850	13321	29095	35781	28668	7038	26881	18631	11145	17281	29480	24022	18909	13539	9140	9730	14762	0	9657	15726	28787	12900	28960	14625	31733	24100	12799	21538	15019	12771	0	23341	33594	0	33993	50602	0	25036	28535	13889	18201	15752	21924	10641	20646	24034	20665	17666	0	14373	35325	Phytochemical	0.42307693	1.0769231	0.07692308
18	C26 H28 O11 N2	545.1766	545.1774	0.21064888	545.1767	20611	19741	22390	26482	23327	15296	13771	14915	19231	59305	24293	7812	40039	8733	13607	10310	11756	18384	17864	43512	41664	44012	12220	17745	16446	12532	9233	16524	8069	7659	8280	10597	15961	9130	86980	11118	18633	12124	9922	46093	25342	9363	514	0	0	32590	21260	0	15524	8785	18313	19788	12684	0	31887	16061	8633	14723	18273	6413	16654	28032	37449	20215	7121	25968	17522	8236	10778	23146	18693	9053	11539	7903	9553	7556	0	10962	15713	19458	17461	26054	11316	27158	16860	12333	18239	12430	13043	14220	17808	28015	29792	26601	50146	0	19630	20125	14695	14069	12374	17202	9929	16380	24675	17662	14278	0	18312	27973	Phytochemical	0.42307693	1.0769231	0.07692308
10	C26 H28 O11 N2	545.1766	545.17755	0.24818964	545.1767	11029	11055	10899	11924	4064	7255	3919	8911	8237	29781	16488	4391	10408	2306	4347	6978	5952	6354	10628	21228	26905	21105	4475	5845	3633	7076	2484	7705	6669	3334	5134	5037	5721	4455	43788	4133	5306	5175	8148	25680	20227	5003	0	0	0	17551	17245	0	6047	4376	8435	9642	4851	0	11067	6707	3430	6288	4273	6205	0	15267	13663	10111	2525	8422	4741	6164	10569	17708	17447	5720	3913	4160	4118	4665	0	2482	9187	10565	4100	8750	3906	11705	7163	3022	7425	2762	4291	11478	8024	8057	9305	19511	22441	0	10864	12855	4839	5601	5359	7122	3816	7185	0	6808	6697	0	5777	13589	Phytochemical	0.42307693	1.0769231	0.07692308
14	C28 H32 O11	545.2017	545.20264	0.19418623	545.20184	35656	34824	26970	30527	23332	11889	26146	36274	20912	73690	43208	22545	25167	12559	22589	33684	23337	18342	23625	56403	57545	27245	21750	30495	17553	52902	25352	41093	20691	29603	24427	32520	30001	21205	62190	25160	24506	26827	26565	38047	49438	15594	0	0	0	34230	36037	0	24150	27806	34517	30323	19985	0	26262	14041	16123	33766	32938	27279	35881	25676	25600	21291	13467	18032	13957	28051	51238	52835	66620	24049	22541	31977	26463	27954	0	18295	35056	22225	30117	26804	26263	29753	24777	16709	29640	16318	15258	45827	12511	23988	32854	20605	23658	0	36695	33672	23412	27331	17009	22435	21804	32011	27812	20741	17560	0	26917	19760	Phytochemical	0.39285713	1.1428572	0.0
28	C28 H32 O11	545.2017	545.2026	0.21926391	545.20184	11438	7649	9298	10133	11159	6489	2227	3908	12020	27766	6525	2306	26806	7126	6611	6687	2576	14914	13572	15763	22048	11544	6414	4895	4141	19454	2955	10085	3723	3892	6390	3307	5015	3932	27445	0	5836	4297	2565	10405	9021	2381	0	0	0	8350	9549	0	3652	3245	8578	8430	7133	0	17061	15036	2395	4282	2222	1271	5178	9045	21749	10796	4100	13263	6349	2461	19547	34222	31965	3229	1795	2610	0	2243	0	2191	9380	4928	7510	6356	2924	7385	12499	7447	9467	3002	4509	3105	4322	6433	5588	7726	13295	0	8481	8825	7444	15405	10985	4181	1699	4886	4779	4670	9002	0	4201	16267	Phytochemical	0.39285713	1.1428572	0.0
26	C28 H32 O11	545.2017	545.2026	0.16840984	545.20184	20157	21622	24625	21552	30041	15961	3185	12819	39036	63628	25500	6115	52591	21976	14865	15151	0	38281	35229	55153	57309	22906	18470	13098	13192	43315	6856	19548	5484	7896	7407	9046	13700	8394	71952	6368	15627	12099	8061	37139	26968	9051	0	0	0	28137	29563	0	8992	7249	20985	23822	19660	0	39405	30444	10697	14631	8484	5335	12995	16033	47342	28374	12996	31013	16757	5215	44411	77269	68647	8435	5932	0	0	6798	0	8334	27760	14375	17731	15879	6718	23134	36569	18225	17375	8974	9957	10578	11988	14575	17827	16039	27680	0	21280	26255	21998	36057	35643	7158	7463	13365	11901	8850	24014	0	10089	47029	Phytochemical	0.39285713	1.1428572	0.0
10	C27 H32 O10 N2	545.21295	545.2139	0.1849404	545.2131	12916	10753	6411	9125	3425	4432	8556	9378	4965	17644	10534	5131	4397	2379	5316	6393	5902	2650	7834	30913	16281	19670	6844	7396	8030	7199	6068	6828	7507	7231	5162	8452	7576	4210	29510	5720	11202	6372	12442	21481	13142	5671	0	0	0	13536	9324	0	8231	5151	11249	5579	4586	0	7483	3347	4321	9756	4434	3848	0	11122	6406	6136	2188	5070	4188	10159	8418	12295	12912	4485	6506	4702	6183	6056	0	5539	13899	10015	6501	5556	5391	9356	3652	5376	9971	2649	4068	9971	7013	12002	16370	8450	16769	0	8842	7561	2972	5051	4449	9556	5265	10591	0	7068	1540	0	6686	4932	Phytochemical	0.37037036	1.1851852	0.074074075
20	C27 H32 O10 N2	545.21295	545.2138	0.20897247	545.2131	20489	14920	16255	13359	11675	16226	8394	13328	12402	28469	15862	7962	15980	6958	13303	13718	6509	13197	18361	28711	23475	24802	10598	21618	13944	5485	9408	17297	18189	12172	10847	13698	24549	16541	43157	12112	25637	8442	11362	30748	12162	8284	0	0	0	21308	15967	0	13378	12144	15269	18964	13250	0	14594	8652	10364	16632	16422	6674	17276	18849	13212	11565	9691	12965	14152	6787	5269	22573	8074	14111	11224	7383	7195	12456	0	11491	15366	6635	11088	8381	14104	18964	9554	7734	15555	12335	9731	18506	27413	30233	28141	11659	20093	0	21677	16263	10667	7404	10670	14888	7314	17388	14175	20985	7041	0	11622	22251	Phytochemical	0.37037036	1.1851852	0.074074075
12	C27 H32 O10 N2	545.21295	545.2139	0.20650454	545.2131	14950	12319	9201	15062	6271	4894	10135	11581	8298	22807	17370	8650	11018	4953	7952	8377	11576	5764	12307	28223	24460	24440	11111	11433	10369	8432	9002	18496	9595	7811	11658	9595	16324	7600	46470	12994	14852	8664	9699	27530	16743	7442	0	0	0	15380	11853	0	11477	13731	13740	10662	7288	0	9407	5315	3825	14200	9156	9157	0	13541	11921	9762	5243	8821	8237	9797	0	21041	17080	10595	6935	8973	12019	12957	0	6412	10331	0	10006	12155	9439	17929	5312	5401	13198	7185	8839	20736	17722	17302	24099	13113	20848	0	16053	12569	4593	7694	7688	10860	7031	13206	0	15121	4904	0	10394	8804	Phytochemical	0.37037036	1.1851852	0.074074075
24	C29 H36 O8 S1	545.22034	545.22125	0.47695583	545.22064	18576	8427	21206	12143	14142	4074	0	3637	6137	27643	21791	1262	7334	4001	2421	7113	5154	9375	22938	26784	33201	23378	3669	6442	4582	45374	3523	24248	5055	0	3733	4173	4121	4753	33805	3628	5895	3267	4847	37308	26946	5413	0	0	0	34264	13044	0	3342	4491	15876	11971	6750	0	11908	7582	3630	6478	15374	14318	5507	25889	5206	3994	4586	8609	8060	4383	36585	47762	42163	3735	2501	2867	3527	4084	0	2460	7101	24834	5119	18288	9426	26166	6670	0	16790	4156	4973	4131	24288	44732	8623	22874	19542	0	14152	14228	5451	5514	7970	9321	3568	10961	24046	7839	6602	0	4987	8546	Organosulfur	0.27586207	1.2413793	0.0
22	C29 H36 O8 S1	545.22034	545.22156	0.65682214	545.2207	67043	53959	56452	50552	41537	26539	18208	33034	53706	149520	96384	25689	46261	0	38897	39307	24957	50984	77516	156096	136259	72775	26989	48647	39148	150857	20420	96005	32342	43787	28254	26032	34602	33422	184836	30373	41192	21748	32732	115745	210971	31860	0	0	0	84545	72920	0	36939	18132	48476	58556	34553	0	71004	37793	18096	34628	37644	43641	51597	91964	51937	44121	17264	44509	21224	30142	235761	233297	176227	28555	23360	19337	22532	20384	0	26272	44224	109480	16108	47140	42838	190003	45090	35850	47712	50564	47738	53500	149713	84726	68928	62190	139262	0	57657	82660	32736	43238	38624	46781	14724	150546	36840	91536	34169	0	19088	36703	Organosulfur	0.27586207	1.2413793	0.0
14	C29 H36 O10	545.2381	545.239	0.17733827	545.2382	23518	18624	17131	16665	9484	4991	20694	21312	10346	17328	13816	17899	9370	6799	12630	24718	20914	7699	13392	17384	17536	15615	14082	24736	12561	19739	17915	12609	12170	21334	13789	26525	22300	8435	18708	21640	14623	18448	25411	14776	23125	10012	0	0	0	13938	16086	0	19966	20793	16885	17314	9848	0	14214	11824	10161	24370	12177	22237	24057	8711	10092	13486	6164	7678	8775	26865	0	20025	27777	13363	13247	20780	20246	17694	0	13385	24626	0	22543	13894	15148	12208	11947	6183	22909	5664	9384	33316	17390	12214	27785	8712	13012	0	25373	13918	10070	16418	12894	12961	11205	29033	0	15899	9360	0	20028	9323	Phytochemical	0.3448276	1.2413793	0.0
18	C29 H36 O10	545.2381	545.23895	0.14149493	545.2382	155482	136630	130283	137448	105493	65691	94694	140650	115582	207972	150997	83493	141735	55312	113683	140366	123836	95375	142315	223621	215020	123530	122159	142483	95294	230929	92222	134403	130796	103131	120454	146138	136656	126955	237107	129653	128040	101624	131980	163504	145400	73211	2369	0	0	110222	108308	0	123929	110500	142182	153552	91606	360	146664	106882	79896	151777	92779	91399	133630	104861	146088	113224	63933	120999	84964	144005	167283	255239	309231	95495	98458	117909	118648	142030	0	90780	179554	84955	127421	87187	101270	117472	132140	88211	152695	65094	82375	153848	127761	128284	153404	84904	112229	461	147693	135225	101137	121184	126078	130606	81066	144914	73209	110847	102707	0	119033	123819	Phytochemical	0.3448276	1.2413793	0.0
28	C29 H36 O10	545.2381	545.2389	0.1281605	545.2382	12699	12917	18944	14553	17457	9866	5361	10930	19688	35708	16394	4794	32621	11091	9304	12064	8092	16964	24456	34429	29727	13036	11217	10763	6762	39076	5145	16916	9078	8993	8982	8944	11577	7276	36859	9369	13561	6752	8568	19254	17852	6357	0	0	0	14491	9948	0	11577	11355	14453	14081	14621	0	19804	16670	6797	11730	6768	3929	12006	12880	24571	14379	7164	19426	9611	7888	33664	57089	54768	9264	5429	5091	6287	5801	0	5977	18563	9517	13508	5341	8178	11894	22447	10255	14381	6586	8642	9376	13097	15630	12712	11362	11229	0	15865	12549	14869	23982	19815	10412	6233	13189	6555	9114	15436	0	8379	22559	Phytochemical	0.3448276	1.2413793	0.0
26	C29 H36 O10	545.2381	545.23895	0.15391262	545.2382	51379	48553	49394	44736	65376	39833	15912	38967	63554	97189	58169	24450	108470	42533	48605	40228	21424	69250	79551	117835	106190	52307	44368	41472	29166	111791	19433	53507	31592	33794	30854	39233	40714	29493	122745	35558	49296	28183	23230	75065	46552	30217	0	0	0	46577	41641	0	37983	32439	58762	47025	43241	0	77739	70189	31030	43312	29754	18429	37699	44410	82220	61768	20160	62591	38937	23519	106853	166105	143168	33291	27749	25090	21656	26930	0	25371	54475	27263	43438	27485	25466	47079	70845	44971	47781	24584	28982	22777	40970	41744	54756	30490	55380	0	48793	49995	42535	73130	65920	41939	22590	44404	26462	33455	48854	0	31247	78081	Phytochemical	0.3448276	1.2413793	0.0
16	C29 H36 O10	545.2381	545.23895	0.116514124	545.23816	59795	52324	57029	58491	35788	27569	43809	59352	40839	69185	54174	33086	35464	23590	47215	71946	62172	32924	52040	72512	74325	53654	51034	65856	40356	77876	44702	39572	45705	57695	51969	52291	54233	34535	74836	55222	52559	44138	65767	48138	61263	27612	1093	0	0	42763	47574	0	62882	56479	53022	60923	33321	0	49271	36797	30018	61853	47235	58836	66318	34293	53351	40013	25884	37857	32576	68547	64185	81464	108035	39991	44097	50429	59524	53110	0	42479	81378	25380	51778	37826	46985	47774	50373	30622	63213	24128	32442	113415	43157	51048	57000	39849	44711	0	61818	57991	37251	43052	51306	54110	36898	52987	25448	52538	38602	0	56095	41922	Phytochemical	0.3448276	1.2413793	0.0
8	C23 H36 O11 N4	545.24536	545.2461	0.39319086	545.24554	2015	1070	0	1203	0	662	897	0	0	0	0	667	0	0	867	0	1149	0	0	0	0	0	0	0	941	0	0	3644	1675	0	1019	1606	955	818	0	1727	1328	0	0	0	0	0	0	0	0	0	0	0	1460	0	0	0	0	0	0	0	536	1280	0	0	0	0	0	0	0	0	1009	0	0	0	0	0	1009	968	0	0	0	0	0	0	700	0	0	0	0	0	0	662	602	1188	38366	34473	1896	0	0	0	2389	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47826087	1.5652174	0.17391305
18	C28 H36 O9 N2	545.2493	545.2502	0.09872107	545.2494	12465	10266	14082	15365	5180	9341	9461	16333	4229	10447	10967	8380	3203	2955	13608	21323	12585	3655	6722	17507	17350	24423	10901	20110	14625	4114	11532	9195	16661	11101	14545	18829	21278	17369	19835	14819	17366	9098	15142	21299	15268	11416	0	0	0	14391	9297	0	22847	15538	13230	15354	7955	0	7068	4310	7483	19969	10069	6169	17142	13710	3343	7021	3907	4904	9680	13710	1989	14346	7295	12175	15749	14220	15300	11611	0	5541	8005	5695	8412	10242	11953	14537	2772	2206	13314	10496	8033	17759	31056	15158	28435	10054	16159	0	15648	15117	2088	4978	4954	19746	9874	19641	4863	16546	4726	0	12048	8052	Phytochemical	0.32142857	1.2857143	0.071428575
26	C33 H36 O7	545.25336	545.2539	-0.053113136	545.25336	5642	4032	4277	3251	4535	0	0	0	3436	3610	13703	0	4936	3368	0	7808	0	0	7186	0	7105	3456	0	6795	0	39425	0	12284	0	0	4144	0	3257	0	3522	0	3550	3656	3370	7163	7768	0	0	0	0	0	0	0	3937	0	0	3426	2856	0	0	0	4908	4596	0	0	0	0	3547	2801	0	2566	4520	5388	30099	17455	26620	0	0	0	0	4919	0	0	6406	0	5087	0	0	9809	6958	0	7011	0	4100	2266	2782	3406	0	0	0	0	4686	7341	3561	8786	6900	0	0	0	0	2687	10332	0	0	0	Phytochemical	0.21212122	1.0909091	0.0
22	C33 H36 O7	545.25336	545.2542	0.09003662	545.2534	3349	2825	4100	3404	1848	1913	0	2544	0	4015	8277	0	2238	0	2443	4574	4883	0	4492	2073	4282	2655	2848	3199	4047	18892	3097	4856	2227	3067	0	0	3504	0	4773	2207	3415	2866	5892	5790	8602	3093	0	0	0	3264	1725	0	4119	4968	3113	5396	0	0	3019	3782	2802	0	3704	3484	4671	1843	2100	2457	0	2468	3941	3684	12861	7489	22283	4605	0	1914	2111	3946	0	3157	6268	1522	3783	0	2491	3789	3781	2775	5483	0	0	5627	3949	0	4229	0	5842	0	2418	4918	4570	3759	1824	4538	0	3260	2449	4021	2858	0	3636	2723	Phytochemical	0.21212122	1.0909091	0.0
2	C30 H40 O7 S1	545.2568	545.2573	0.11241478	545.25684	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3599	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26815	0	0	0	0	0	0	337	0	0	0	3159	1062	0	1093	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.23333333	1.3333334	0.0
6	C27 H36 O8 N4	545.2606	545.26135	0.09751933	545.2606	4491	4209	2904	3312	1683	0	2172	7923	1623	0	0	2262	0	0	1821	5214	0	0	0	0	0	2076	0	4539	3162	0	0	623817	0	3387	2199	4602	2229	1755	0	0	5721	2982	3789	0	505	1380	0	0	0	0	0	0	3384	3105	3486	3054	1827	0	1869	0	0	0	0	0	0	0	0	0	0	0	1935	7191	0	0	0	0	2250	3159	0	1863	0	1851	2880	127191	0	0	2322	0	0	0	3417	0	1824	5982	25308	11190	10716	9513	0	0	3459	3945	0	0	0	0	2289	0	0	2823	0	0	4692	0	Peptide	0.2962963	1.3333334	0.14814815
10	C27 H36 O8 N4	545.2606	545.2615	0.13598911	545.2607	0	0	0	1335	0	954	0	3453	0	1811	0	877	0	0	1404	1751	0	0	0	0	1644	1459	1823	2206	2456	0	908	9002	2418	2155	1712	0	2561	991	1426	2102	2460	1184	1463	0	0	0	0	0	0	3228	0	0	1505	1468	1445	1609	653	0	0	0	0	2857	0	0	0	0	0	0	0	0	1591	1459	0	0	0	2818	2265	1789	1344	1764	0	1461	1281	7870	0	0	0	1555	0	0	1259	0	0	3209	20721	8114	5631	0	1607	0	2020	0	0	0	0	1897	857	0	0	2344	0	0	1483	0	Peptide	0.2962963	1.3333334	0.14814815
20	C30 H40 O9	545.27454	545.2753	0.110160396	545.2746	145099	147493	140673	129396	125632	85610	107527	132462	139697	148356	121146	89287	145606	75506	126115	151164	143460	118610	151065	172336	169006	110432	120380	141573	114975	202088	103753	118132	121509	122557	118075	128986	135789	92098	177720	127051	148257	108052	156585	109792	126593	83387	2636	0	0	98727	104555	0	137481	111571	145783	149305	109451	400	165057	137227	86987	161935	104253	90018	135295	70395	148419	130818	78957	108067	87705	156624	154670	232742	264206	86723	99763	120610	130657	115725	0	86734	187268	89724	140268	70760	104194	142379	167836	97938	189246	71180	92858	149873	131529	143047	169732	82141	99442	0	139746	138521	108165	170404	170746	144280	87806	155081	63211	130779	131934	0	122224	135567	Lipid	0.3	1.3333334	0.0
26	C30 H40 O9	545.27454	545.2753	0.14558236	545.2746	109670	109174	113171	99817	128225	81359	54159	112906	140988	162194	113609	52139	175746	88387	104874	112422	60588	140992	186298	241688	190343	109509	118767	114106	93933	237877	48559	122235	110601	87851	93335	86716	118640	81620	229416	107826	136210	85006	68733	146222	102386	73965	0	0	0	118670	73327	0	97456	96858	122653	103200	99967	0	196425	149117	68189	111824	99320	44357	114723	88785	158266	131753	49702	120512	81324	65320	198122	313183	241769	89064	81578	107360	50971	83478	0	78233	136331	67998	95546	63233	82857	106443	159961	91619	110020	60212	79326	70504	112335	127385	144456	69318	103168	0	102337	121239	86542	158414	159425	124305	56683	123918	63840	85852	118368	0	69023	141857	Lipid	0.3	1.3333334	0.0
16	C30 H40 O9	545.27454	545.2754	0.17258288	545.2746	15742	11682	12345	11786	8392	5777	15673	20787	13930	8372	5744	11205	6047	5350	15702	20475	25780	6084	17222	8492	5375	9981	12294	16476	13863	13220	20747	7138	13345	13665	10688	13262	16405	7322	10767	16947	11315	14682	24701	6895	11929	8619	0	0	0	6198	8739	0	17295	14616	16668	14538	8939	0	11177	9700	8585	16248	9207	10057	15386	4733	11664	9520	7850	6350	7769	25823	9450	11862	18436	6527	9675	17992	23038	17778	0	14560	20733	6664	16550	7779	17378	5970	19965	10267	22393	5613	7728	41074	9151	9080	0	7559	5606	0	16898	16019	7795	18206	19400	12680	13328	11056	4483	0	16167	0	19837	7728	Lipid	0.3	1.3333334	0.0
28	C30 H40 O9	545.27454	545.27527	0.10502182	545.27454	22265	19673	20114	22279	28381	11198	13596	15179	25533	30322	23233	7163	39591	17401	14395	15318	13883	21705	33997	34670	34500	21699	19397	19438	15831	51709	12183	27077	19569	15902	14662	12039	21583	12076	40755	19247	23044	13840	14251	23567	19697	11453	0	0	0	15803	11613	0	16983	14842	21330	19551	21015	0	31124	31195	12003	21370	15428	8397	20117	14948	34193	24992	11143	29942	19303	11211	47069	62340	69051	12018	10995	14353	7653	11424	0	11614	27016	10667	19629	11221	12546	20977	37676	14409	28880	9854	13680	29269	22247	21448	26732	12615	13354	0	22206	21142	16961	40346	43683	21367	9302	18475	11240	19760	20455	0	12606	26233	Lipid	0.3	1.3333334	0.0
26	C34 H40 O6	545.2898	545.29034	0.0790758	545.2898	3836	0	3030	6289	0	0	0	0	3590	0	5131	0	0	0	0	8147	0	0	0	0	0	4601	0	6446	0	23619	2756	5138	7204	0	5748	8522	5314	6333	0	7174	5304	0	8035	4653	5596	0	0	0	0	0	0	0	4452	7370	5138	4608	0	0	0	0	0	8547	0	0	0	0	0	3530	0	2714	4499	7084	17846	6121	9176	3218	4228	0	0	4815	0	3945	6461	0	8171	4004	0	6481	0	0	5371	3647	0	6944	0	3274	11061	4111	0	0	3793	0	3134	6653	6027	7190	3451	0	0	4526	0	0	3599	0	Phytochemical	0.1764706	1.1764706	0.0
10	C31 H44 O6 S1	545.29315	545.29395	-0.1169263	545.2931	0	0	0	0	0	992	0	0	0	0	1183	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12923	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	42962	0	0	0	0	0	0	0	0	0	0	26642	7366	0	3680	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.19354838	1.4193548	0.0
8	C31 H44 O6 S1	545.29315	545.2939	0.021929283	545.29315	0	1877	1176	1311	0	1284	0	0	0	0	1955	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	54713	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1293	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	117222	0	0	0	0	0	0	0	0	0	0	75260	31138	0	7501	1561	0	1529	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.19354838	1.4193548	0.0
6	C31 H44 O6 S1	545.29315	545.294	-0.13515708	545.2931	1806	820	0	1571	0	5565	0	0	0	0	1992	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	74491	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1766	2184	0	0	0	0	0	1168	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	148943	0	0	0	0	0	0	0	0	0	0	78430	35375	0	8927	1017	0	1291	1117	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.19354838	1.4193548	0.0
4	C31 H44 O6 S1	545.29315	545.29395	-0.4299209	545.2929	0	0	0	0	0	1665	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17553	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	327	0	0	0	0	0	0	0	0	0	0	0	0	0	66993	0	0	0	0	0	0	0	0	0	0	22401	6641	0	2103	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.19354838	1.4193548	0.0
26	C31 H44 O8	545.3109	545.3117	0.11130724	545.311	115043	109948	113089	105410	140892	74940	84412	110543	154010	111512	115847	56042	151662	89123	120068	123782	82651	134603	206307	194012	151317	99454	101226	100323	129052	177877	81235	133669	125607	129444	105940	123651	148322	92365	157628	126013	153610	93551	89923	123117	81286	89305	0	0	0	100387	48697	0	116385	97362	117693	112340	107222	0	232520	177137	84294	128882	119630	49716	125127	85395	154647	145484	64000	111951	112448	90791	152834	203950	155302	71830	84732	127753	74563	107678	0	80893	130944	79142	92893	72239	111615	112191	185248	133072	130528	65415	93499	77005	122442	150567	160013	75727	84899	0	108617	127903	99713	171485	193903	176936	64466	151383	79442	99468	146858	0	94321	131095	Lipid	0.2580645	1.4193548	0.0
22	C31 H44 O8	545.3109	545.31165	0.05667852	545.3109	68451	59941	57895	60038	66531	40822	63665	60570	79203	46113	44636	45059	55034	42045	57729	77675	73154	60612	80345	60161	60032	48201	61008	54258	62653	71710	54749	47606	75052	61555	58845	63892	81778	48299	51440	79878	74566	52528	81596	38365	44207	44753	0	0	0	33136	31663	0	73389	54031	69385	53953	53802	261	99742	87664	48314	75002	44932	34899	62555	30877	71714	68942	39373	48998	51225	90988	49678	80373	74055	31996	39190	55736	85012	67516	0	44827	83273	36261	63061	27931	58157	35397	93900	60370	94619	36686	52392	74103	77576	64808	76566	35762	34647	0	58050	66209	53179	102354	104714	87853	46397	70372	31272	51479	71029	0	65045	56458	Lipid	0.2580645	1.4193548	0.0
24	C31 H44 O8	545.3109	545.31165	0.107475065	545.311	124256	129694	125597	125230	137944	87085	97535	119459	150790	113757	117643	67421	140122	85027	119457	139205	118959	124855	203027	172121	138611	91106	100265	99999	109621	169708	95426	118524	133053	110053	104028	128174	154478	90706	149110	141602	156932	104207	127528	128609	85556	79017	0	0	0	84968	59474	0	135385	105375	118623	114820	122737	0	226051	155794	83013	147487	110265	58257	133497	81681	160864	137760	72271	130762	106191	124842	127112	192159	165872	81095	90256	103549	97400	105403	0	84998	152619	74409	109968	63536	109697	97921	181549	135042	150313	65644	101118	117302	145715	137229	149327	72713	89841	0	119128	120575	104981	174415	190854	178975	76144	141595	66194	109701	140581	0	100594	138777	Lipid	0.2580645	1.4193548	0.0
20	C31 H44 O8	545.3109	545.3117	0.12470559	545.311	21808	22897	18584	17738	15237	8882	22079	21649	17131	4316	10297	11303	13582	12441	20925	19550	34643	12693	19844	12870	11585	8637	11344	16373	20145	10817	22307	13510	13735	22511	16576	16035	22106	11878	8896	15304	17809	21440	35008	7524	9408	9498	0	0	0	6964	4490	0	14037	13074	19695	19181	15375	0	23037	25750	14986	19314	12750	10766	18626	6101	18436	14382	9946	11646	10942	42047	7447	16091	18540	5246	10829	20119	36150	15902	0	12411	33885	8231	20359	5311	17221	0	25966	18432	34353	10339	10211	30616	17733	14340	21582	9414	9024	0	21983	14892	15018	37618	30688	25295	13386	19737	4744	18334	24919	0	23260	15963	Lipid	0.2580645	1.4193548	0.0
28	C31 H44 O8	545.3109	545.31165	0.10050999	545.311	26086	21218	25762	22501	31443	13017	30466	29471	34851	20123	21355	13650	36567	15706	20426	20621	18912	22533	49290	35677	31334	19778	17924	20968	33115	44946	27751	31237	33402	29497	25003	23327	38765	21494	34953	31728	35054	23295	18285	24826	14023	16136	0	0	0	19966	6790	0	23917	22016	24356	24402	25799	0	56047	42820	17010	27111	28804	8893	27348	15411	29334	31702	12906	28925	22618	22390	33095	42844	31804	14193	16156	28292	10015	21509	0	21321	33060	17769	20433	13805	28465	26376	50886	24798	44858	13885	18745	16228	27332	32557	28132	17258	14321	0	22147	24048	22029	56893	60023	38655	18801	31425	16040	23786	36851	0	21328	22294	Lipid	0.2580645	1.4193548	0.0
8	C32 H48 O5 S1	545.3295	545.33	-0.2418191	545.3294	0	0	0	0	0	0	0	0	0	0	1653	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27110	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	766	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	64129	0	0	0	0	0	0	0	0	0	0	86515	33674	0	2236	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15625	1.5	0.0
10	C32 H48 O5 S1	545.3295	545.33	-0.019404178	545.3295	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10020	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40713	0	0	0	0	0	0	0	0	0	0	86421	26826	0	1097	1358	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15625	1.5	0.0
2	C32 H48 O5 S1	545.3295	545.33	-0.25653827	545.3294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8009	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27939	0	0	0	0	0	0	0	0	0	0	24954	3481	0	576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15625	1.5	0.0
4	C32 H48 O5 S1	545.3295	545.33026	-0.1432178	545.32947	0	0	0	0	0	1104	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16877	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27379	0	0	0	0	0	0	0	0	0	0	46178	6264	0	895	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15625	1.5	0.0
26	C32 H48 O7	545.3473	545.3481	0.069354676	545.3473	52258	53754	50277	46253	27263	28624	53099	45151	33869	8306	20234	22643	24410	21930	23675	282938	128326	17288	78857	16061	15158	17449	20826	15957	52429	28309	59071	27425	100687	28485	34119	78639	96983	28236	11998	96176	67426	24905	144894	16794	18718	61622	0	0	0	15296	10071	0	52364	23145	55602	49739	21800	0	47632	50349	22962	1094707	25544	15045	146422	10220	22027	27286	17991	24866	52674	191897	14251	27930	30364	10956	16237	29962	33614	64180	0	26996	34550	20169	15921	12493	27947	22055	54603	52852	62519	18603	30171	43162	35522	38258	50191	14418	7873	0	51820	49162	18042	64329	64848	123338	22656	25575	16198	206040	35633	0	36822	17134	Lipid	0.21875	1.5	0.0
22	C32 H48 O7	545.3473	545.348	0.17038964	545.34735	5271	4264	3662	3588	1509	1250	6728	1891	3224	0	0	3734	0	0	1187	23907	43118	0	2349	0	0	2326	1598	0	5281	0	5906	1721	4224	3285	1759	5546	3155	1533	0	4356	3067	3344	60042	0	0	1917	0	0	0	0	0	0	2781	1392	8265	4821	1945	0	5877	6951	2692	29286	0	1877	8176	0	0	1734	1636	2208	3358	71689	0	0	4461	0	1339	2399	4783	3544	0	1569	5566	1595	3417	0	1598	0	4102	6126	9161	2918	1772	9179	0	0	0	0	0	0	6669	7502	4329	10844	11487	8404	1540	0	0	5987	5232	0	3272	0	Lipid	0.21875	1.5	0.0
24	C32 H48 O7	545.3473	545.348	0.101223566	545.34735	18465	20776	20407	19503	9338	10393	24239	11998	10075	2140	7907	13213	7696	14090	11976	78231	280067	5330	26004	2735	4393	3145	6915	14379	16851	7094	31700	9305	22627	12477	8061	24555	20092	9922	4677	26172	18100	13228	401081	4385	9339	13743	0	0	0	4991	6022	0	15997	8845	22708	19510	12468	0	19085	22319	11110	91601	5844	7945	34022	3658	7487	8452	10347	7136	16375	510369	2601	7757	9910	4464	7874	12696	21655	17657	0	9463	19650	8253	10000	4285	13642	8279	24751	22994	32706	8957	13176	32944	13368	16458	15492	3480	4277	0	22263	20044	11688	32829	34585	29644	9396	10902	3241	37854	14787	0	18180	5067	Lipid	0.21875	1.5	0.0
28	C32 H48 O7	545.3473	545.348	0.0929426	545.34735	12996	12454	11559	11452	9100	7684	25114	13889	12058	2891	10940	4743	10596	9061	9491	20192	15526	7920	22788	6494	3214	6329	7611	7960	19866	8373	17777	13732	22541	12736	9700	16991	26289	12735	8773	19919	17332	11872	17711	7710	4601	10081	0	0	0	6728	0	0	12503	9902	8589	11305	9428	0	18716	19470	9091	41770	14803	4685	21820	6139	7534	12110	9412	11082	13082	24352	8188	7494	6582	4860	6818	12401	5512	11526	0	9257	15566	8709	6673	6220	13926	11515	22512	13174	30725	3772	8660	12537	15522	14620	13042	8562	0	0	11565	11480	10076	32987	40629	27586	5804	11199	8843	22450	19842	0	12469	7358	Lipid	0.21875	1.5	0.0
28	C29 H56 O7 N2	545.416	545.4167	0.4064324	545.41626	2980	3996	3900	3822	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2380	3004	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40844	0	0	0	0	0	0	0	0	0	0	489865	245960	0	5790	4385	0	3423	2778	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.2413793	1.9310344	0.06896552
14	C24 H19 O14 N1	546.0878	546.0891	0.24489774	546.08795	0	0	0	0	2922	0	0	0	3953	4471	1515	0	10491	0	0	2184	0	4491	3499	2384	5350	13457	0	2440	0	0	0	0	0	0	0	0	0	0	5871	0	0	0	0	1727	5193	1673	0	0	0	4950	12172	0	0	0	1939	0	1383	0	5148	5279	0	0	0	0	0	1291	10057	8699	0	6339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1868	0	1428	7201	0	0	2744	0	0	0	0	0	23215	5895	0	0	2518	4389	11519	7716	0	0	0	0	0	5591	0	0	6055	Phytochemical	0.5833333	0.7916667	0.041666668
26	C24 H19 O14 N1	546.0878	546.08875	0.17368308	546.08795	4518	5036	4819	5371	10057	6920	0	0	11334	6216	0	0	20280	2601	0	0	0	14352	13259	0	8475	13868	0	0	0	0	0	0	0	0	0	0	0	0	9406	0	0	0	0	3084	2895	0	0	0	0	6446	16705	0	0	0	5839	4225	5473	0	9721	8330	3856	0	0	0	0	3978	22676	13059	0	8125	4415	0	0	0	0	0	0	0	0	0	0	0	3494	11033	4595	5280	0	0	16116	0	3159	0	3491	2056	0	0	0	20122	17834	0	4647	6355	5912	8285	9421	0	0	0	9146	1788	8750	0	0	21564	Phytochemical	0.5833333	0.7916667	0.041666668
28	C24 H19 O14 N1	546.0878	546.0887	0.20873348	546.08795	4700	4512	5653	5138	9790	5234	978	0	9227	7746	3253	1288	21925	3674	0	0	0	17197	12462	7283	8931	13606	3424	0	0	0	0	0	0	0	0	0	1135	0	10104	0	1124	1243	0	3000	4835	0	0	0	0	7055	14084	0	0	0	5562	4663	7946	0	17164	8312	3195	0	0	1419	0	3512	22254	10537	2562	10867	2897	0	0	2493	2979	0	1392	0	0	0	0	0	4431	9675	4974	4661	0	0	10866	6111	3962	2383	2767	1109	1403	2125	1865	13020	19358	0	7590	5200	6832	8193	9674	0	0	0	9793	1634	7723	0	2041	17191	Phytochemical	0.5833333	0.7916667	0.041666668
16	C24 H19 O14 N1	546.0878	546.0888	0.12053124	546.0879	2910	3453	2597	1764	8297	4431	0	0	11108	4664	3819	0	18273	1469	0	0	0	5496	8561	1885	8184	17914	2008	0	0	0	0	0	0	0	0	0	0	0	10179	0	0	0	0	3198	7452	1823	0	0	0	7026	17773	0	0	0	2824	2103	3585	0	9409	13160	2224	0	0	0	0	4690	25994	15696	1864	13936	2640	0	0	1629	0	0	0	0	0	0	0	0	2369	11630	2017	10504	0	0	14618	3718	0	2436	2000	0	0	2143	0	19926	18777	0	2221	4128	11819	9829	13278	1673	0	0	13510	0	9255	0	0	13013	Phytochemical	0.5833333	0.7916667	0.041666668
22	C24 H19 O14 N1	546.0878	546.0887	0.28064102	546.088	6121	3577	6567	6665	7411	7429	1538	0	14453	6614	1851	1936	23431	0	2410	0	1779	19268	11148	5382	10676	20167	4971	2875	1555	0	1110	0	0	0	0	0	0	1731	9609	1109	2176	1592	1121	3601	9051	4700	0	0	0	13671	22732	0	1529	0	5404	3428	6798	0	19323	10063	5087	0	2084	1942	0	5996	18701	16170	5666	10810	4027	0	2657	0	0	0	0	0	0	0	0	0	3876	12545	4081	13607	1378	1934	15475	5075	3731	4654	8854	2047	4710	4388	3565	22519	18552	0	6421	5606	10571	9783	11558	0	0	2152	14955	2313	12622	0	0	24086	Phytochemical	0.5833333	0.7916667	0.041666668
24	C24 H19 O14 N1	546.0878	546.0886	0.22327377	546.08795	6021	3217	3495	4166	7565	5795	0	0	9780	5635	2045	0	21355	2142	1416	2019	0	11948	14893	3697	8762	16030	4414	0	0	0	0	0	0	0	0	0	1385	0	6375	0	1561	2570	0	3394	3310	2039	0	0	0	7552	23072	0	0	0	7378	4143	5815	0	14673	12477	2765	0	0	0	0	3070	22546	9367	3194	10633	2639	0	0	1529	0	0	0	0	0	0	0	1039	7627	9526	5482	10258	0	1133	19644	6220	3416	2216	3510	1914	0	0	3016	18075	19275	0	5509	6534	6868	6264	10883	0	0	0	11501	1486	11256	0	1105	19058	Phytochemical	0.5833333	0.7916667	0.041666668
18	C24 H19 O14 N1	546.0878	546.0888	0.3246754	546.088	10810	9230	11856	17961	19807	7702	0	0	23372	11558	8627	0	46269	6298	0	0	0	26087	22744	9400	28594	47184	5308	2434	0	0	2164	0	0	0	0	0	0	0	14302	0	4246	5356	0	7183	24570	5506	1510	0	0	18539	56954	0	0	0	7592	12144	10508	0	33656	28182	15736	3412	2716	2744	0	16881	56080	32970	8596	32886	9294	2890	3700	0	5640	0	0	0	3338	0	0	0	14198	40646	4162	34672	0	0	38947	12190	8894	10607	6206	3448	0	3904	0	69392	45048	0	9946	12614	25786	28466	29840	0	0	0	30422	0	25814	0	4668	41666	Phytochemical	0.5833333	0.7916667	0.041666668
20	C24 H19 O14 N1	546.0878	546.0887	0.2894631	546.088	7530	6683	6968	4233	14967	8255	0	0	21711	6082	3219	0	23994	2223	2019	0	0	13380	14430	6264	17096	27547	3198	1888	0	0	0	1506	0	0	0	0	1776	0	5750	0	2700	0	0	2798	8195	3253	562	0	0	14653	29360	1004	0	0	5788	5627	5313	0	18001	16565	3978	2570	2044	1010	0	6880	29534	16841	5681	18521	3812	0	1315	0	0	0	0	0	0	0	0	1020	5480	25912	4151	14016	1139	0	15686	7606	7240	0	5757	4663	0	5461	6006	30373	20575	0	6478	5713	11101	19776	16571	0	996	0	20960	0	14061	0	1282	29741	Phytochemical	0.5833333	0.7916667	0.041666668
26	C21 H23 O16 N1	546.10895	546.11005	0.06114529	546.109	0	0	0	0	4001	4595	0	0	3888	0	0	0	3897	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8461	44118	0	0	0	2248	0	0	0	5140	0	0	0	0	0	0	3946	4116	3217	0	1871	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9099	0	0	0	0	0	0	0	0	0	1667	0	4990	0	0	2759	0	0	0	0	0	0	0	26995	0	0	0	0	7505	Phytochemical	0.7619048	1.0952381	0.04761905
12	C21 H23 O16 N1	546.10895	546.11005	0.32846648	546.10913	1441	1964	0	3440	6886	2798	0	0	9132	0	0	1100	16624	0	0	0	0	8342	10560	0	4249	5902	3777	0	0	0	0	0	0	0	0	0	0	0	3474	0	0	0	0	1968	0	3617	0	0	0	2271	21970	0	0	0	0	2115	4433	0	7236	15409	3311	0	0	0	0	2139	19880	8730	2100	11749	3543	0	0	0	0	0	0	0	0	0	0	0	1803	0	1523	5640	0	0	14189	3230	1415	2511	3152	0	0	0	2196	9740	3065	0	1840	0	14126	13968	15154	0	998	0	0	0	12718	0	0	15975	Phytochemical	0.7619048	1.0952381	0.04761905
28	C21 H23 O16 N1	546.10895	546.1099	0.26601344	546.10913	2575	3340	3284	3740	3158	4799	0	0	4219	0	2552	0	5389	0	0	0	0	4174	2513	3537	4318	5741	0	0	0	0	0	0	0	0	0	0	0	0	2383	0	0	0	0	0	3132	0	0	0	0	10230	41117	0	0	0	3262	2126	2121	0	2626	0	976	0	0	0	0	4969	4149	3635	1335	2048	1678	0	2904	0	0	0	0	0	0	0	0	0	997	4244	0	11905	0	0	0	0	0	0	0	1111	0	0	0	6788	0	0	1465	2372	2993	1569	0	0	0	0	31446	1511	3435	0	0	8467	Phytochemical	0.7619048	1.0952381	0.04761905
18	C21 H23 O16 N1	546.10895	546.1099	0.23499188	546.1091	4603	2216	4604	5936	8821	5768	0	0	11756	0	5724	2606	22370	2269	3647	0	3517	12632	10834	0	6688	10637	8828	1238	0	1926	0	0	0	0	0	0	2146	0	6886	0	2209	1372	0	1976	4895	4595	0	0	0	11414	39157	0	0	0	3138	3543	7944	0	13207	15689	4777	0	2792	1483	0	6952	13187	12227	4111	7956	5138	0	0	0	3094	0	0	0	0	0	0	1511	3764	10431	1911	17690	0	0	18134	4040	0	4859	2424	1975	0	0	2134	11064	0	0	6426	5440	7847	8540	12439	1932	1209	0	30841	1699	10742	0	0	23307	Phytochemical	0.7619048	1.0952381	0.04761905
14	C25 H23 O13 N1	546.1242	546.1251	0.20605187	546.1243	11668	10648	9062	10124	14280	9952	2589	0	19639	45795	21164	3464	35516	4368	2533	0	2739	15710	18080	29072	37093	51414	4136	0	2211	6331	1077	8584	0	0	1064	0	2243	0	59197	3282	3823	3086	0	17984	36140	4124	0	0	0	21096	45119	0	2590	0	10683	13216	6660	0	21630	20246	4417	4372	0	0	0	17556	31130	20760	5700	16592	5430	0	0	7230	11233	0	1321	0	1660	0	0	2307	9758	34719	6141	19490	1424	10904	17445	8445	5927	5991	6518	4972	3599	5801	7353	48632	42927	0	12510	8439	11082	17132	13941	3972	2830	2761	20627	0	14273	0	1720	28092	Phytochemical	0.52	0.92	0.04
20	C25 H23 O13 N1	546.1242	546.125	0.12555839	546.12427	17334	17597	13288	20963	26087	15545	2069	3112	28803	55363	22432	3690	46012	10852	3203	5490	0	29788	30801	35322	43132	64871	10091	4735	2004	10979	2090	7811	1877	0	4069	0	6057	0	54564	2065	8877	4695	3599	23055	15161	10016	662	0	0	47857	54783	0	3117	1590	14395	18493	15577	0	35716	23770	9964	4149	3663	2028	3835	22446	43938	23984	10514	35449	10035	1834	10109	17768	12596	2373	1540	0	1455	2026	0	2766	15075	39447	8444	32024	2447	13907	26715	13535	7219	6149	9215	8652	8009	7744	6583	59893	70787	0	9694	13434	18646	21713	25218	7216	3346	5284	37229	5939	21470	0	5839	45811	Phytochemical	0.52	0.92	0.04
12	C25 H23 O13 N1	546.1242	546.1253	0.3681824	546.1244	4830	8895	5301	7088	4430	3079	0	0	13331	22296	12607	1201	15228	2543	1927	0	1887	4383	6723	15926	19175	17215	2064	0	0	2771	0	0	0	0	0	1547	2178	0	34195	0	0	2568	2641	7495	14178	1746	266	0	0	8750	22829	0	0	0	5065	4022	4835	0	11617	9498	3011	1655	0	0	0	8485	24611	8749	2570	10187	3294	0	0	4515	9354	0	0	0	0	0	0	0	3773	0	2565	11352	1399	3762	8531	4882	3140	0	2976	0	0	2631	2541	28695	16677	0	6214	3218	11067	11590	9349	0	0	0	0	2611	6106	0	2223	13551	Phytochemical	0.52	0.92	0.04
24	C25 H23 O13 N1	546.1242	546.125	0.26063618	546.1243	6599	6047	4618	6172	7968	7202	0	0	12842	22900	5015	0	20299	4055	0	1349	0	20804	12269	12136	13998	20566	3636	2386	1521	1501	0	1435	0	0	1150	0	3096	0	23691	0	2318	1113	0	8295	7626	2752	0	0	0	16174	22808	0	947	0	8254	5448	5990	0	20197	11152	3094	1920	0	1227	1362	9990	21267	13905	3834	13045	3718	0	3900	5336	5752	0	0	0	0	0	0	1516	5205	8414	3750	14996	1691	5898	14711	5191	2396	1795	3532	2199	1711	4125	2030	24602	35407	0	7437	5185	7828	10662	9096	0	1378	1939	15860	1355	7312	0	1057	22817	Phytochemical	0.52	0.92	0.04
18	C25 H23 O13 N1	546.1242	546.1251	0.20479566	546.1243	52796	31198	41035	40170	46618	25114	7806	3916	59780	128336	57878	5136	108654	25012	14546	11778	6628	52624	74082	73280	98576	146518	26871	16348	14778	24242	7082	23940	9572	5944	7378	0	20670	0	159846	7230	12635	8332	11131	61986	53468	17072	1436	0	0	94420	98778	0	6138	8716	52252	38486	36092	0	80008	53100	20970	18172	10596	7523	12190	52273	114572	62354	21934	71116	19334	4912	35090	34184	23002	4590	4814	0	4084	0	0	4372	24294	104326	16284	89551	7998	33508	70506	37848	21540	13992	17978	11406	13416	34322	29406	129460	164374	0	45194	40890	49150	57292	48106	7910	7414	17377	83246	16155	48174	0	10645	104074	Phytochemical	0.52	0.92	0.04
22	C25 H23 O13 N1	546.1242	546.12506	0.25470945	546.1243	10016	12304	10597	7926	14134	10643	0	1637	19464	25615	9352	0	30481	5798	0	1531	0	25893	19065	22202	21034	33598	3055	2617	3472	5473	1319	4526	2416	0	1723	0	0	0	33725	0	2372	1751	0	14882	8690	3413	0	0	0	29324	36040	0	2555	1186	6821	5688	7091	0	24283	15351	5897	3691	3039	0	3805	13955	35710	14444	6011	19167	8577	1502	8870	7743	7413	0	0	0	1115	1854	0	1103	8780	21987	9759	27822	2204	7056	22066	11245	7637	3320	5996	2950	3236	5211	7075	31200	58561	0	10527	12628	12509	14777	14840	3097	1073	5314	33245	1942	13406	0	3186	25313	Phytochemical	0.52	0.92	0.04
26	C25 H23 O13 N1	546.1242	546.1251	0.18012972	546.1243	7539	4959	5945	5168	9370	4543	0	0	10165	16520	4131	0	17475	0	0	0	0	15699	11532	9687	13274	13701	0	0	0	0	0	0	0	0	0	0	0	0	15306	0	2278	0	0	5081	5149	0	0	0	0	13495	12462	0	0	0	5590	2901	5722	0	11252	8754	0	0	0	0	0	5068	17270	8838	2851	6887	3036	0	0	3582	2549	0	0	0	0	0	0	0	5096	6441	3311	11234	0	3802	9603	0	4549	0	0	0	0	2514	0	13130	27013	0	3256	0	4129	4850	6894	0	0	0	10904	0	4469	0	0	16181	Phytochemical	0.52	0.92	0.04
16	C25 H23 O13 N1	546.1242	546.1251	0.20918633	546.1243	14506	20863	17159	16015	20709	10809	0	3009	26281	56586	24408	2864	45562	8665	4257	5573	3027	27115	24990	41737	52184	53598	7819	4109	3382	9709	5954	7393	0	2072	2090	4241	3155	1432	88179	2468	7292	5933	2301	31239	29397	5404	408	0	0	39723	53923	0	4635	2103	19109	15892	14704	0	24512	22769	7794	5247	4283	4775	0	24045	57949	26929	7051	29446	9751	2851	20738	17469	16070	2782	2718	1498	2541	0	0	2034	11392	52791	6035	34637	3902	16393	25553	15277	8205	6916	7816	0	7363	10563	0	58410	68882	0	18938	23551	17849	18432	25949	6274	2917	3666	43954	0	25509	0	5006	40866	Phytochemical	0.52	0.92	0.04
28	C22 H27 O15 N1	546.1453	546.1462	0.18047932	546.14545	3632	3065	2645	4692	2483	4222	0	0	3805	6581	2504	1028	3518	0	0	0	0	6169	4533	9678	11429	7391	0	1886	2114	0	0	0	0	0	1285	1030	1886	1500	8861	0	2049	0	0	6957	8829	0	0	0	0	38986	65721	0	0	0	3699	3180	2245	0	4127	2102	1527	0	2107	0	0	11028	2115	2365	993	1243	2532	1581	3873	3653	4856	1237	1033	4271	0	0	0	1138	0	6263	0	30640	0	1955	3112	2111	955	0	2898	1303	0	3021	0	7697	7939	0	3119	5028	4100	1293	0	0	1171	0	53176	1648	2730	0	1225	5564	Phytochemical	0.6818182	1.2272727	0.045454547
16	C22 H27 O15 N1	546.1453	546.14624	0.16825955	546.14545	30222	30730	31239	33141	47274	31158	7885	25660	54823	19724	20609	16422	101155	17499	34092	18492	17630	84147	73121	42715	49468	62404	33656	20170	7213	0	10146	7409	15975	16728	13638	10785	19950	14438	27077	15459	19457	18039	12220	28870	44856	29071	927	0	0	160401	287105	0	10741	18620	29191	34710	35204	0	78863	50275	22371	12490	24648	16796	21364	42473	77063	48326	19356	41154	32304	9013	20464	11129	19822	15225	9148	17609	14273	6394	344	19622	19358	70001	15178	136457	6963	11386	60557	27852	13953	16939	23998	0	9843	18217	0	64799	63726	0	25889	40967	45233	23775	41080	19824	18128	22010	226153	16427	50453	0	8010	70285	Phytochemical	0.6818182	1.2272727	0.045454547
12	C22 H27 O15 N1	546.1453	546.14636	0.27267608	546.1455	15775	12155	20198	15326	25898	13568	10536	16353	30847	16094	19809	11379	56954	6025	17780	13519	20769	41769	47345	24609	39656	49018	25372	13595	4493	1934	4215	0	5639	13259	10710	6313	13304	6615	18336	9474	10708	11591	9271	21115	25510	19651	0	0	0	67514	180173	0	7282	15095	14111	18923	20880	0	46851	37664	13158	7886	8858	10229	0	20183	58735	32025	12260	28083	15026	15061	0	3426	8311	8228	4932	8146	10840	8335	0	11359	15179	28511	17788	49600	4887	4060	42340	18365	14135	13556	13866	12567	0	8252	18445	51907	26732	0	14865	25412	28752	26758	33799	14317	10333	11112	115846	13147	38371	0	6990	49445	Phytochemical	0.6818182	1.2272727	0.045454547
14	C22 H27 O15 N1	546.1453	546.1463	0.19793761	546.14545	33534	28303	28131	25790	38521	28531	7629	27581	59134	22265	16808	15158	97129	11656	27957	20632	17474	66733	59652	36747	48274	77560	38990	19705	8678	3229	7721	7155	13946	15432	14510	10550	18238	10851	39386	14835	16929	19578	10510	28557	30598	28515	0	0	0	118039	267593	0	11581	20690	31596	30725	28908	0	76988	50464	17528	13657	20077	14090	0	40254	71326	57305	20941	38034	25087	12045	15590	4972	16663	14220	10259	16729	12764	13934	0	21985	21781	75121	20709	100434	6269	9173	62992	26055	13523	25379	18091	12201	3690	11071	21161	73125	58219	0	32190	35180	45491	35146	40591	29667	19809	16100	255633	13761	52061	0	9322	59368	Phytochemical	0.6818182	1.2272727	0.045454547
26	C26 H27 O12 N1	546.1606	546.16144	0.18798493	546.1607	5522	4446	4481	3440	8917	3647	0	0	7471	20702	6081	0	15339	2605	0	0	0	12798	6513	12282	12892	10906	0	0	0	9251	0	3808	0	0	0	0	0	0	20508	0	1721	3199	2532	8926	8026	0	0	0	0	9553	13374	0	0	0	4875	5453	4919	0	9154	0	3350	2085	0	0	0	8212	11256	6273	2436	6561	3162	3012	6076	11991	12754	0	0	0	0	0	0	0	3802	8096	0	6319	0	3894	0	0	4271	2752	0	0	2334	2160	0	10414	17033	0	6018	7253	6389	3345	6341	0	0	0	7590	2489	5606	0	0	11159	Phytochemical	0.46153846	1.0384616	0.038461536
20	C26 H27 O12 N1	546.1606	546.16144	0.1616363	546.1607	27274	28058	30865	26463	28104	20238	7416	12289	44001	114784	41758	7906	56997	21617	9240	11831	6358	46202	46523	83486	99757	66388	12718	16153	13863	44043	7193	29363	9468	7816	7652	7071	12669	6956	122999	5723	15186	8249	3311	64953	44426	12407	1212	0	0	82637	70942	0	9079	10447	31365	32639	23570	0	41581	34383	14313	9816	7985	6760	11619	41347	61988	37523	16847	33264	19236	5727	44990	48979	40975	8586	4537	4196	5179	7384	0	10263	14655	45739	15472	43884	10629	54666	40278	20010	17893	10881	10635	7777	23935	28157	20288	62182	82540	0	25593	37692	28474	30942	28336	9590	6452	18315	55009	14469	29641	0	10001	52551	Phytochemical	0.46153846	1.0384616	0.038461536
22	C26 H27 O12 N1	546.1606	546.16144	0.22424604	546.1607	19513	17083	20673	17572	22870	15014	3793	4517	22802	66623	27181	3325	36855	10000	7331	3328	2818	34145	19314	44162	44464	33767	6647	7679	9454	20939	3731	16982	5093	2842	4513	0	6356	5292	84728	2497	10817	3957	2505	32035	23100	6382	0	0	0	55873	43689	0	6577	3755	18536	11294	14957	0	30242	19037	9117	7104	5569	2440	5721	24956	39352	23950	10546	21671	9124	3771	25480	36948	37628	5006	3029	2037	1506	3188	0	0	11201	24962	6106	35763	3578	21600	28633	15443	9209	6631	8093	5892	11433	7759	8999	35137	55926	0	10753	16410	19714	19388	14507	8631	5637	7512	37918	3993	18910	0	4611	36675	Phytochemical	0.46153846	1.0384616	0.038461536
24	C26 H27 O12 N1	546.1606	546.1614	0.1888347	546.1607	11607	8345	6999	7068	9702	8980	0	2589	17515	42137	9127	1633	23714	4096	3891	0	1422	11476	11321	19757	24574	24048	5113	3461	2521	7691	0	5536	0	0	2798	0	3225	2073	41771	0	3911	2270	1653	16220	10558	2978	0	0	0	26036	25863	0	2212	0	7685	5443	7118	0	23062	10929	3774	3423	2376	2262	3359	11281	15737	12296	3562	13739	4414	0	13494	18046	10922	0	1216	0	0	1208	0	1874	9503	12050	3314	19706	1760	11541	14977	11978	5459	3339	2927	0	2685	4472	3716	16258	28066	0	8118	7377	7886	9443	4622	2606	1393	3623	21565	0	7217	0	1654	22602	Phytochemical	0.46153846	1.0384616	0.038461536
10	C26 H27 O12 N1	546.1606	546.1616	0.27512935	546.16077	4349	3900	3905	6489	3629	2629	1930	2853	5296	24518	13095	1951	9375	0	2578	0	1280	5590	7661	14725	14747	20056	2773	5135	0	6918	3144	4035	1950	3615	2291	0	2414	1917	35326	2532	3772	2755	2631	10480	15393	2526	0	0	0	9319	14318	0	1710	1306	4538	5536	3467	0	6602	5067	2419	2989	2476	2305	0	8328	11850	5806	1566	7104	2322	1585	8205	7554	10399	2498	1196	1770	1464	1534	0	2048	5577	0	2950	7342	2919	7061	7015	2073	4738	1943	0	5383	3274	3898	5083	14052	13451	0	7135	7174	4553	6776	7746	2850	2650	3043	0	2817	3485	0	2251	6484	Phytochemical	0.46153846	1.0384616	0.038461536
18	C23 H31 O14 N1	546.1817	546.18256	0.10871664	546.18176	64838	61712	63937	61508	53953	53722	32831	77810	80032	106200	34868	30863	132373	28376	77257	47683	26371	127625	117693	137269	126050	125749	69398	63495	51586	24854	22553	16806	74673	57540	52282	47608	62640	52711	108125	61225	55285	52501	20198	110872	41529	43574	2734	0	0	352125	234289	0	51604	61417	62730	62192	51882	291	143095	52847	35655	43512	63449	22994	47912	81246	99900	64740	27871	66701	42237	18910	41897	55174	29668	62151	49749	66003	34593	46603	0	44387	40709	70992	38987	220846	33002	42693	59450	51962	27039	28681	41413	15377	36250	63503	65438	70871	107935	629	65962	88864	59784	34635	34719	59407	42059	63808	232422	42791	54900	0	28260	106223	Unclassified	0.6086956	1.3478261	0.04347826
26	C23 H31 O14 N1	546.1817	546.1825	0.10772977	546.18176	2761	0	2872	2849	0	3218	0	0	3144	9212	0	0	0	0	0	0	0	5628	0	9018	11390	5839	0	0	0	0	0	0	0	0	0	0	0	2509	6865	0	0	0	0	9338	0	0	0	0	0	23062	19245	0	0	0	3678	2522	0	0	0	0	0	0	0	0	0	4559	0	0	0	2308	0	0	0	9719	8624	0	0	0	0	0	0	0	2327	0	0	20507	0	0	0	0	0	0	0	0	0	2945	0	3648	0	0	2551	0	0	0	0	0	0	0	22885	0	0	0	0	5707	Unclassified	0.6086956	1.3478261	0.04347826
16	C23 H31 O14 N1	546.1817	546.1826	0.14483942	546.1818	87622	85864	86223	76986	60940	55538	39458	90067	88168	108087	43954	46981	152799	26171	101555	72273	37410	155595	130961	154003	141851	127838	92128	90918	59297	30651	31236	25737	94866	77726	73650	73761	79403	55278	122821	74481	83784	64373	28203	107858	63536	49653	1979	413	0	342859	298904	0	66700	79876	77855	83220	59861	0	159669	72204	43766	64298	93631	28762	87007	88227	111587	82531	32650	71397	67623	25930	65571	59532	32367	75259	67962	87362	52085	60988	0	60158	62927	118027	54036	211667	38831	53929	72592	59436	38537	36216	49771	0	34471	82771	90681	83171	147614	678	84010	96015	70496	38916	51934	94554	49495	74380	314903	64020	76275	0	37884	128373	Unclassified	0.6086956	1.3478261	0.04347826
14	C27 H31 O11 N1	546.19696	546.19794	0.20313072	546.1971	27405	26197	22779	28271	15192	11739	12819	20365	18008	70791	34899	12814	18527	9986	16716	26100	12086	17760	18350	55780	68406	39590	17229	20998	18242	37079	9556	27112	10537	19706	16525	16232	19651	15469	84857	12594	15772	16626	12849	48088	43882	10061	0	0	0	36177	32924	0	21156	14000	23468	21159	8488	0	22788	12550	6930	19467	26155	16083	23287	38233	24139	17654	6112	18200	8918	12725	40133	45119	40467	13365	11299	14097	15643	16689	0	9436	16155	16450	12935	23055	12973	24799	14870	9183	15550	10467	12164	23323	21983	23160	34653	30131	39975	0	21884	25519	12437	13983	11054	23705	7099	20595	25874	15299	15036	0	12530	23237	Phytochemical	0.4074074	1.1481482	0.037037037
24	C27 H31 O11 N1	546.19696	546.19775	0.114379	546.197	13440	16883	16504	18046	18725	10499	2540	6497	20736	55323	17744	3739	33314	8342	8401	7434	2807	21304	23971	37891	46779	18810	10806	8588	7134	34321	2868	16837	5892	5885	5500	3767	8964	4045	53614	4812	8841	4819	3973	28965	23543	8516	0	0	0	27746	25908	0	4474	3260	9925	12025	14110	0	20495	13418	5888	7767	6765	3375	9817	21810	26273	16942	4534	19100	8798	5463	27453	42928	43679	7428	5714	2385	4886	1877	0	4170	9745	14635	8617	19729	4547	22090	24080	10963	8088	6430	10038	7623	6336	13531	15558	16464	29590	0	14502	12705	12982	15769	17073	6062	3046	7089	20361	7248	17974	0	4573	29872	Phytochemical	0.4074074	1.1481482	0.037037037
26	C27 H31 O11 N1	546.19696	546.19775	0.14481872	546.1971	9035	4286	5936	6444	9583	5403	1567	0	10362	28930	8430	0	15371	4209	0	0	0	14421	6786	18998	18179	10883	0	5721	0	18882	0	7377	0	0	0	0	1990	3427	30178	0	4902	0	0	17938	9889	0	0	0	0	12246	10800	0	2359	0	5702	5885	5276	0	11944	7931	0	0	2627	0	0	10527	15672	10972	0	8727	3791	3097	17581	28152	26433	0	0	0	0	0	0	0	4325	0	4500	9965	2629	8777	7866	0	3029	0	3896	2731	4167	5739	0	7986	11606	0	6538	6460	5254	7844	8201	0	0	0	6564	2118	0	0	0	13140	Phytochemical	0.4074074	1.1481482	0.037037037
10	C26 H31 O10 N3	546.2082	546.20917	0.18928768	546.2083	19950	21443	20187	20522	11887	11009	24309	0	9520	22931	11564	13873	12857	5615	14341	26037	18047	15262	15684	21782	21811	35983	19202	32303	20993	5696	19802	6800	20570	17419	16969	25167	24133	17898	28986	18539	29580	16150	20853	22610	19964	7835	0	0	0	25530	0	0	24435	20002	22533	20077	12686	0	13677	10923	9867	29418	18012	12291	19311	11373	12947	12191	9625	15467	11932	21265	0	13372	10162	18106	13438	14782	16574	17679	0	16796	29481	9579	21763	13070	15696	12754	12455	10209	27132	10501	11263	36334	27886	27343	45770	14316	21878	0	25294	22469	8745	16876	17443	28349	14324	22449	0	24954	11560	0	23013	16623	Phytochemical	0.3846154	1.1923077	0.115384616
20	C24 H35 O13 N1	546.21814	546.2189	0.07644324	546.21814	61123	50371	66808	56093	40112	51177	29208	78840	74239	108521	28283	24135	99571	19027	83146	39904	15834	102585	94514	123078	87545	78868	61950	71468	78594	24086	19775	19664	84793	57737	57638	58377	63733	47421	130947	57864	78920	44141	15232	73985	18699	40829	1131	0	0	157218	68151	0	50187	60732	55693	56603	38594	0	139779	46339	21225	44371	88309	14667	46931	51133	77886	69680	21405	54831	35726	10736	22283	61122	15856	68577	56669	73418	27745	50557	0	51442	36534	26305	30021	68101	33691	36510	38126	35006	27540	17987	36060	11969	42572	67142	84610	36182	55094	698	61375	61659	42166	25173	31225	54767	37529	73279	95908	45081	34635	0	33408	91507	Lipid	0.5416667	1.4583334	0.041666668
14	C24 H35 O13 N1	546.21814	546.219	0.15628085	546.2182	53787	45035	37147	31756	22476	24012	31739	71972	35452	58256	34113	28019	44327	16096	58920	54795	33746	52312	58155	86803	61982	52266	54921	58621	54706	30248	23618	19331	56922	54613	36515	54174	44955	32569	67960	53527	39217	42232	27271	40741	30897	34285	0	0	0	90386	71195	0	40285	61348	37876	35432	23326	0	60205	28498	21184	43476	85890	24468	78727	39281	39045	43189	18286	32487	25155	25874	19571	38616	25648	41904	44406	61273	34912	42949	0	41334	43168	27943	40763	45752	37840	31093	37660	28333	34308	20167	22841	25453	18240	31505	60998	26178	41987	0	36016	61231	26871	28262	26802	66667	31915	67876	71919	36593	26009	0	29681	35465	Lipid	0.5416667	1.4583334	0.041666668
12	C24 H35 O13 N1	546.21814	546.2191	0.24533498	546.21826	16655	13612	14365	12311	11733	10449	15914	33873	12921	20862	12312	14553	14575	5803	22157	21453	18200	18287	18392	30585	29345	13616	24469	27851	14412	9725	9935	10356	25719	17306	22528	15798	26669	20803	24629	25394	16820	18545	20839	16762	11739	13885	0	0	0	29728	35926	0	19709	23296	13703	12089	13002	0	20230	13037	8074	17651	24031	9452	18165	14183	14306	15817	6477	15519	13809	14793	0	12083	11361	16971	18854	27804	12194	12563	0	16338	16830	0	19117	18606	16140	14596	16359	11647	16853	8973	10518	21765	6641	20561	21249	11048	18489	0	17311	21121	11985	9582	10128	20699	17597	22647	31976	18945	13357	0	15334	14420	Lipid	0.5416667	1.4583334	0.041666668
18	C24 H35 O13 N1	546.21814	546.21893	0.07703158	546.21814	105130	83688	100318	92142	59270	69582	50392	135793	86785	156266	50774	42372	160814	30794	127694	77497	34620	139838	142421	197447	128579	113503	110823	105871	118417	34391	41022	45898	136125	105421	105083	98754	100099	89740	181909	117261	113692	85145	26020	126306	31856	58858	1869	0	0	234368	104279	0	90054	101637	85219	80773	58220	0	206922	72666	38607	85345	130759	22607	96039	85716	122825	104545	30105	93970	66098	24018	33907	78105	35249	95289	83307	126627	47390	100509	0	84735	65748	52025	68065	107893	57657	57385	70036	67098	60009	37711	56425	31009	66364	107714	144378	47243	108332	0	95266	107804	67009	41308	51828	96041	61131	107457	124244	76088	63259	0	52327	107966	Lipid	0.5416667	1.4583334	0.041666668
24	C28 H35 O10 N1	546.2334	546.23413	0.13486414	546.23346	32500	33382	28936	29867	33804	24502	7786	23485	34328	88476	40267	13375	49268	21656	22150	22011	11346	36059	48363	75260	69366	30046	24858	26343	14135	78827	8688	36857	18407	16925	14432	16107	24207	23213	104043	13863	26692	13337	11629	55544	36468	16556	0	0	0	47205	39072	0	22426	18381	30987	33724	21532	0	37902	32171	13652	26531	25672	11674	26804	40569	43633	27942	13228	34836	22908	12722	71830	108715	105582	22454	16388	12448	13499	12824	0	15226	27496	18389	19444	26944	11955	38664	38129	18073	24305	16271	20162	14274	27522	31023	42790	22016	39370	0	34152	36535	25756	24856	33004	24863	11129	32212	23177	19905	23690	0	15344	41608	Phytochemical	0.35714287	1.25	0.035714287
12	C28 H35 O10 N1	546.2334	546.2343	0.2504987	546.2335	7274	8340	10274	11995	4118	4626	4923	8774	3594	18327	13067	3853	5490	3536	5087	10875	5569	5273	6599	26169	21717	12352	6850	8260	7094	13626	2602	10704	3204	3737	8747	4199	10956	5657	33921	6611	7767	5216	11655	16826	21271	5417	0	0	0	10256	6139	0	8220	6960	7904	7700	3980	0	6289	2228	1960	7380	0	0	0	9399	3793	6139	1735	6174	7298	6498	0	23475	16938	5981	5648	7217	5476	4267	0	3620	7723	0	4388	5066	3575	12099	4583	3188	6830	4314	4831	14398	10709	9134	15881	7350	11442	0	9996	10208	4539	5500	2393	6674	5258	9095	0	7972	3461	0	4954	6125	Phytochemical	0.35714287	1.25	0.035714287
18	C28 H35 O10 N1	546.2334	546.2342	0.105832316	546.23346	168297	131020	143805	115872	94129	57943	96614	137919	79593	191762	123686	80580	124270	46876	159516	187630	87011	94158	160668	221783	208735	134596	138405	187416	139014	210756	117667	118417	172839	118241	119304	150517	154932	107475	225530	134139	127281	124288	95035	172974	127198	75376	1608	0	0	125700	89994	0	126672	123220	132759	120243	94455	0	146451	81950	57561	174014	140439	69956	139387	122137	110643	91905	48917	84817	99349	95926	170649	238954	254980	116401	91596	128024	98359	127015	0	81367	146025	75556	133533	86500	146433	99597	93907	69994	150492	71862	75411	109418	144112	164360	229320	81481	120804	0	152374	161014	63203	99075	87788	155105	96053	138928	64793	131428	77017	0	124398	116830	Phytochemical	0.35714287	1.25	0.035714287
28	C28 H35 O10 N1	546.2334	546.23413	0.13710937	546.23346	2936	2716	3869	4200	6537	2306	1291	2650	5081	13726	4718	852	9720	2153	0	2407	0	5397	6774	9548	10620	5506	5092	3267	0	13931	1447	5780	0	2337	1584	2406	4108	2777	11235	0	3938	1134	1808	6627	5139	0	0	0	0	4385	4687	0	3016	0	4529	3940	3166	0	5076	3392	0	3234	0	0	2355	3279	5301	2797	0	7123	3566	2183	14474	23521	24840	1802	1383	0	0	0	0	1771	4941	2472	3232	2096	1939	5506	4910	2821	3763	2785	2727	2330	2587	2995	5530	2724	6314	0	4370	3218	2720	2727	4802	3349	0	4810	0	3136	3075	0	1737	4949	Phytochemical	0.35714287	1.25	0.035714287
4	C22 H35 O11 N5	546.2406	546.24176	0.4087749	546.2408	0	0	0	0	0	601	0	0	0	0	0	0	0	0	785	656	0	0	0	0	0	0	564	0	0	0	0	3677	1013	0	0	0	0	0	0	0	0	0	0	0	0	393	0	0	0	0	0	0	0	0	688	630	465	0	0	327	0	331	0	0	0	0	460	0	0	0	0	0	0	0	0	456	0	533	0	530	0	267	353	22477	0	0	0	0	0	366	0	0	499	592	18277	5656	454	1991	0	0	0	0	0	0	0	0	611	0	0	439	322	0	0	334	Peptide	0.5	1.5909091	0.22727273
10	C27 H35 O9 N3	546.2446	546.2456	0.22764361	546.24475	12799	10320	5940	6707	1517	2433	8645	11583	1757	6564	3042	5083	2520	0	9522	10710	3016	3308	3309	6621	3777	21394	9907	16715	18401	2021	3578	2732	8575	8454	6867	9978	9001	7534	8985	5794	10743	10080	3903	8440	5039	3622	0	0	0	12803	4180	0	8769	5610	7201	9739	1718	0	3846	1432	3221	15242	3907	0	15112	4920	0	3309	2357	2425	3237	4550	0	5854	2284	6641	7704	4604	3782	5481	0	5178	11062	0	10599	4424	7347	5646	1067	2380	10732	4347	2237	11428	17665	24059	62999	5040	13185	0	6693	8612	0	1043	1399	9839	5658	10084	0	16334	1307	0	12664	2842	Phytochemical	0.33333334	1.2962962	0.11111111
12	C27 H35 O9 N3	546.2446	546.24554	0.25885677	546.24475	7879	7886	6785	5937	1690	2955	15873	12558	3635	3891	0	4902	3291	1953	13938	10212	3831	2889	5398	9984	5621	15589	10295	19586	20879	1058	5222	0	9290	6665	10330	7041	17567	7402	7315	6113	10976	12151	8163	13035	0	2157	0	0	0	12325	7380	0	9889	6371	9588	4397	3629	0	4877	3060	2500	15151	6347	0	0	4694	2896	3222	2388	3436	5117	5862	0	5638	2522	6319	9074	5675	3764	6879	0	8942	15217	0	10228	7422	9933	6863	1631	2553	10776	5600	4391	12935	13917	16221	40363	8347	6177	0	7787	7835	1804	3051	2362	8666	6691	10211	0	14953	1751	0	12571	2334	Phytochemical	0.33333334	1.2962962	0.11111111
8	C27 H35 O9 N3	546.2446	546.2456	0.26256934	546.24475	6110	4963	4312	4466	937	1081	2758	5245	2178	5063	0	3453	952	0	6896	7402	2971	1062	2308	7707	4773	11936	4853	11946	10498	1930	2800	0	5432	4091	4058	5423	5235	3864	6795	4752	8918	4679	3117	5266	3278	1436	0	0	0	4952	4119	0	5211	3197	3259	5672	2097	0	2698	890	1528	6748	4188	1179	5697	3417	1206	2153	0	2715	1830	2648	0	4176	0	4139	4147	3472	2137	4136	0	3124	5813	2987	6182	3829	5091	4540	0	0	7340	1942	2487	6554	0	12585	29113	4217	6909	0	5427	5738	0	732	0	3679	2690	4329	0	9516	0	0	7135	960	Phytochemical	0.33333334	1.2962962	0.11111111
20	C25 H39 O12 N1	546.2545	546.25525	0.056842197	546.2545	47005	50176	54037	40758	27695	42915	31737	87100	57913	69419	26106	23204	74938	16297	82167	46906	15443	86470	80874	93688	64810	56519	61270	65659	92490	14813	20052	22078	79091	58556	63052	56322	70260	49381	94376	58330	87700	47477	14944	58961	8893	31100	560	0	0	65298	15388	0	53980	50865	46239	47251	34196	0	117976	47770	23392	53099	82229	9157	48991	33726	68118	61047	18488	51650	38864	10753	10577	35858	10020	68720	60490	71826	16134	44484	0	50064	37103	14629	33534	24504	44696	29206	33661	38996	28272	22700	29945	11683	47230	74601	84024	13714	34542	0	52771	60451	31404	22842	26806	63618	35782	65267	33648	46313	33457	0	36477	84664	Lipid	0.48	1.56	0.04
18	C25 H39 O12 N1	546.2545	546.2553	0.06162284	546.2545	48742	42062	49970	45539	19984	35578	30739	82661	44617	62305	24277	24575	62907	13791	66121	50329	20230	58044	65246	65165	44115	43926	60243	60674	61850	11163	29216	22466	65703	54089	60442	61054	70629	48992	55802	60780	57669	46849	24778	47799	11040	38242	895	0	0	63292	13880	0	56684	53325	53553	39039	35693	0	91042	37573	21441	48574	69528	11951	58122	25697	58091	49075	21693	45286	31289	16736	9453	32314	12065	48985	51475	69152	31871	59245	0	43325	46527	20356	36499	25228	40158	22750	34552	33579	35814	14920	34134	16863	49729	55059	79516	15767	33994	0	47162	46922	27336	19937	29523	59409	34556	54719	33636	39346	25231	0	35881	46392	Lipid	0.48	1.56	0.04
18	C29 H39 O9 N1	546.2698	546.27057	0.15212378	546.26984	26567	21026	23465	20849	12300	10776	19460	28099	11165	28442	18212	16766	21179	6033	20681	36716	22128	11747	17082	50432	34399	22679	19776	37624	17779	50537	20106	24101	30123	26227	30767	25339	31108	19722	26718	33791	25911	19560	32349	33177	28358	11578	305	0	0	18164	17084	0	35461	22370	30544	22213	16063	0	17719	11981	10931	26766	18285	22569	28250	11661	12234	17755	12650	16443	14321	35414	36610	36555	47037	19474	19676	21354	29509	22537	0	14894	24218	17723	19500	11939	16443	21995	17092	14859	30012	14080	15137	30836	33455	25521	42239	12120	21689	0	27751	25548	13584	10675	15783	25105	15327	31911	10466	25905	15661	0	21432	10227	Lipid	0.31034482	1.3448275	0.03448276
28	C29 H39 O9 N1	546.2698	546.2705	0.071016274	546.2698	5485	3828	6459	4297	5574	1801	2073	2977	6459	8610	7400	1726	7258	2895	0	3274	2642	4909	6413	8819	9035	3459	3213	4403	2390	27079	0	5612	4344	0	2684	3128	5487	2826	12052	3748	4630	2060	3226	6475	5460	3089	0	0	0	3738	3195	0	5008	4920	4061	4400	4714	0	4919	5511	2232	4027	1823	1822	5587	3298	6694	4523	1855	7353	4224	2027	22151	29985	36237	2346	2402	0	0	2427	0	1814	5829	2182	3847	2884	2153	4706	7178	2470	6793	2777	2295	4179	3189	4775	5849	3096	3421	0	4791	5470	2043	7597	6154	3529	0	4597	0	3677	4525	0	2898	4024	Lipid	0.31034482	1.3448275	0.03448276
24	C29 H39 O9 N1	546.2698	546.2705	0.10724778	546.26984	288527	305773	293386	286045	326215	217852	132349	271997	296799	742451	353317	144629	415919	179346	229085	274164	173933	332399	473295	868761	543708	266718	255709	310475	208949	763432	114069	345230	260257	220892	217195	240425	296946	232477	590023	237154	520032	182115	180558	603810	286035	186064	0	0	0	288861	202764	0	251219	226397	500454	290284	422258	0	418838	298864	137850	286714	250776	122934	309407	287058	389010	423773	133125	290576	193995	196236	574924	906038	987441	249412	233129	218302	143883	203028	0	190924	323888	119801	212906	168751	177132	296157	526850	213594	285786	176729	200853	199571	305707	332312	351548	179122	281409	0	305871	296974	221267	281612	334752	304833	138899	367019	207804	253493	433708	0	172814	347944	Lipid	0.31034482	1.3448275	0.03448276
26	C29 H39 O9 N1	546.2698	546.27057	0.12481317	546.26984	26492	23824	28877	24779	22379	12901	6065	18658	22867	44637	25380	10955	29589	19445	14231	21210	10753	23232	32824	49560	53750	19044	16373	27129	15510	76058	6249	32922	19048	17466	16062	18542	22487	16635	46967	25099	23122	11755	10619	34531	34323	12684	0	0	0	24431	17139	0	16439	16435	26868	21378	18085	0	29019	24138	15143	21106	13158	7600	18000	22827	28067	21250	9131	27273	18677	12149	75520	92721	86499	22500	17163	13109	9521	18319	0	11782	21150	14570	17579	13001	14318	24732	32622	13819	19255	12538	12385	14550	19255	27232	29986	14186	23551	0	18561	24726	15518	28831	29262	17362	9230	19677	12227	17007	20282	0	12230	24916	Lipid	0.31034482	1.3448275	0.03448276
10	C23 H39 O10 N5	546.277	546.27795	0.17581077	546.27704	14387	10193	9676	11534	0	1420	0	0	0	7690	22195	0	0	0	0	0	0	0	0	0	0	1436	0	0	0	0	0	123149	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7674	6675	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	304138	0	0	0	0	0	0	0	0	0	0	1154060	316748	0	63911	19451	0	8946	9533	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4347826	1.6956521	0.2173913
4	C23 H39 O10 N5	546.277	546.27795	0.40156657	546.27716	1232	727	494	986	0	2573	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28727	0	0	0	0	0	0	0	0	860	0	0	0	0	0	0	0	0	0	0	0	0	0	1103	539	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	96106	0	0	0	0	0	0	0	0	0	0	64140	19077	0	5233	0	0	0	923	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4347826	1.6956521	0.2173913
6	C23 H39 O10 N5	546.277	546.27783	0.29898542	546.27716	7455	8713	9604	9624	0	12220	0	0	0	2140	14015	0	0	0	0	0	1182	699	0	0	0	2045	0	0	0	0	0	122648	715	819	0	0	1062	0	0	0	1044	0	0	0	0	1014	0	0	0	0	0	0	0	0	7070	7325	0	0	0	0	0	994	0	0	0	0	0	0	0	0	0	1194	0	0	0	0	0	0	0	0	0	0	0	392071	0	0	0	0	0	0	0	0	0	0	769051	268435	0	52766	12950	0	9140	8070	0	0	0	0	562	0	0	0	0	0	0	0	Peptide	0.4347826	1.6956521	0.2173913
12	C23 H39 O10 N5	546.277	546.2782	0.28468737	546.2771	2750	0	2022	0	0	0	0	0	0	2904	6022	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55729	0	1178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2346	1887	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	127419	0	0	0	0	0	0	0	0	0	0	270848	106182	0	23666	4423	0	2383	2722	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4347826	1.6956521	0.2173913
8	C23 H39 O10 N5	546.277	546.2779	0.25054508	546.2771	19808	17911	16117	17046	0	6761	0	0	0	11422	35899	0	0	0	0	0	0	0	0	0	0	1742	0	0	0	0	0	173066	0	0	0	0	1431	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16181	17790	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	452399	0	0	0	0	0	0	0	0	0	0	1834503	636269	1244	81996	30293	0	18887	16828	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4347826	1.6956521	0.2173913
4	C30 H43 O6 N1 S1	546.2884	546.28906	0.24963976	546.2885	0	0	0	0	0	714	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6306	0	0	0	0	0	0	0	0	0	0	21847	4742	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2	1.4333333	0.03333333
20	C26 H43 O11 N1	546.2909	546.2917	0.15029621	546.29095	8843	6056	11097	9497	5396	7918	12599	15024	9270	5899	2578	6643	14667	7237	19834	8152	5350	14694	24055	6464	2211	7729	9316	11362	17416	2530	9697	6750	21900	15349	12461	15650	9500	8112	4582	17933	16227	10545	6108	4332	0	8200	0	0	0	4514	1925	0	15340	10224	9244	8664	9689	0	23489	10640	7285	12982	15170	2451	12682	1344	12478	11637	5221	8707	8390	5886	0	3767	0	11412	12471	18694	9925	15776	0	10695	7836	4442	5601	1909	18275	12720	9547	6714	14415	4523	6999	4403	14759	12151	18514	0	2130	0	11349	17468	3823	3616	5465	22620	9563	10809	3581	7536	8761	0	8356	12066	Lipid	0.42307693	1.6538461	0.038461536
28	C30 H43 O8 N1	546.30615	546.3069	0.11178116	546.3062	4992	5066	5702	5112	8988	1479	4328	6486	5959	4039	7004	1384	8727	4597	3320	3851	2895	3833	8655	7743	8243	2898	3257	3380	3895	22962	2983	9529	4823	6208	5257	3570	6910	3061	6430	5573	5020	2391	4321	6548	7201	2457	0	0	0	3645	2220	0	5261	4439	3811	3894	3759	0	9512	9166	2333	5055	3535	3036	4819	3732	5663	4468	1751	7325	4183	4147	20599	15782	23425	2508	3703	4466	0	5126	0	2401	6298	4394	3955	3451	4086	7442	11585	4939	7026	2669	3802	4051	5275	7013	4989	3821	2466	0	4412	5608	5905	13700	17923	7480	2716	6767	2862	6107	7806	0	2919	4116	Lipid	0.26666668	1.4333333	0.03333333
22	C30 H43 O8 N1	546.30615	546.3069	0.050013702	546.30615	28942	35755	28641	25997	34320	19183	18102	37472	26862	27329	31083	23654	30076	19652	25533	49304	36002	31510	39483	45173	52650	16447	31022	34994	23594	79511	24923	31729	38902	35151	24744	34225	41829	30022	31989	41427	34911	24324	36191	33615	34951	26122	0	0	0	26173	22926	0	28882	34233	31691	33156	35415	0	31848	31783	20918	44301	20083	25969	43826	23023	25980	25242	18003	21382	24650	46131	59660	66347	82369	30341	33101	24523	32114	32788	0	22212	40873	17663	31287	15345	27694	24121	39025	26683	40990	24253	24647	31914	43105	40429	38204	16455	20724	0	29396	33878	27133	33965	32979	48005	25667	36632	16491	35053	37421	0	31415	30721	Lipid	0.26666668	1.4333333	0.03333333
26	C30 H43 O8 N1	546.30615	546.30695	0.07245002	546.3062	33598	30183	32339	34249	52143	22290	13207	38730	38745	34053	43364	17582	46018	25711	28489	31311	26201	31512	57119	60735	58807	26800	31230	43007	29204	103092	13534	54785	40867	36392	35223	32330	44008	31033	48716	36724	42959	25640	24133	48217	34549	33613	0	0	0	37873	25680	0	32366	30416	32100	32709	27375	0	50753	47912	16872	37460	27058	14695	40984	26320	36985	36657	14972	35824	28342	21448	100660	95478	95124	32430	29204	32242	17698	32157	0	23215	36864	22228	23633	19460	24049	33253	55209	25802	39483	21722	27769	26001	37672	38711	39878	21322	25790	0	36105	44102	24487	49390	50310	39737	19307	52130	19840	31455	43992	0	24359	30882	Lipid	0.26666668	1.4333333	0.03333333
14	C23 H47 O13 N1	546.312	546.3129	0.23210777	546.31213	2814	2571	2007	3047	0	0	0	0	0	13180	10768	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8507	58441	0	0	0	0	0	0	0	0	0	0	0	3663	0	0	0	757	856	5146	0	1384	0	1310	3073	3723	0	1027	0	0	0	0	25452	0	0	7239	13800	0	0	1782	0	0	0	5043	0	0	0	0	0	0	973	0	0	30081	0	4055	0	0	0	0	0	0	0	0	94425	29724	2377	4436	1750	810	0	2185	2733	0	0	0	0	20569	129392	0	0	1262	0	2417	Lipid	0.5652174	2.0434783	0.04347826
12	C24 H43 O9 N5	546.31335	546.31384	0.25827482	546.3135	1793	2642	2853	1382	0	1869	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	72497	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5005	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	177723	0	0	0	0	0	0	0	0	0	0	365272	165387	0	28386	2163	0	2985	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.7916666	0.20833333
6	C24 H43 O9 N5	546.31335	546.3144	0.20735523	546.3135	1095	0	1275	0	0	3093	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	780	0	0	28858	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	681	99673	0	0	0	0	0	0	969	0	0	0	130117	43960	1541	6177	0	0	923	0	0	0	0	0	0	0	0	0	0	0	510	0	Peptide	0.375	1.7916666	0.20833333
10	C24 H43 O9 N5	546.31335	546.3145	0.30840084	546.31354	7019	6431	7081	4611	0	8495	0	0	0	0	8048	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	89868	0	0	0	0	0	0	0	0	0	0	0	0	0	1036	0	0	0	0	0	0	0	0	9096	9013	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	313956	0	0	0	0	0	0	0	0	0	0	843465	311454	2217	43757	4229	0	8964	7953	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.7916666	0.20833333
8	C24 H43 O9 N5	546.31335	546.31445	0.27931198	546.3135	5196	8730	5991	7219	0	9434	0	0	0	0	5020	0	0	0	0	0	0	790	0	0	0	0	0	0	0	0	0	74509	0	0	0	0	0	0	0	0	1028	0	0	0	0	618	0	0	0	0	0	0	0	0	5782	4588	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	346547	0	0	0	0	0	0	0	0	0	0	528006	259183	0	31720	2582	0	4025	3717	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.375	1.7916666	0.20833333
18	C31 H47 O5 N1 S1	546.32477	546.32587	-0.17486341	546.32465	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23540	7653	1726	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1761	0	0	1734	0	0	0	0	0	21714	0	0	0	0	0	0	Organosulfur	0.16129032	1.516129	0.032258064
26	C27 H47 O10 N1	546.3273	546.3279	0.050212186	546.3273	0	0	0	0	0	0	9308	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2545	6702	0	0	0	0	0	0	0	0	1500	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2027	0	0	3186	10104	0	0	0	0	0	0	0	0	0	0	0	0	37131	0	0	0	0	0	0	0	0	0	0	3558	5692	0	3874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.37037036	1.7407408	0.037037037
20	C27 H47 O10 N1	546.3273	546.3279	-0.007993749	546.3273	2057	4169	2903	1891	0	0	6094	10127	0	0	0	921	0	0	3479	5668	3243	0	0	0	0	0	0	0	3070	0	2543	0	22787	16307	12566	13038	3799	9600	0	12287	1971	1706	6799	0	0	1695	0	0	0	0	0	0	24483	5093	1671	2161	0	0	0	0	905	9188	0	0	6561	0	0	0	0	0	2699	1348	0	0	0	11372	14181	10852	1499	11871	0	3171	0	0	0	0	3528	0	0	0	0	0	1910	0	0	0	0	0	0	0	3291	3013	0	0	0	3553	2214	0	0	0	0	0	0	0	Lipid	0.37037036	1.7407408	0.037037037
26	C31 H47 O7 N1	546.3425	546.3433	0.07278594	546.3426	11470	13606	9456	11271	18994	9674	11520	11325	14769	7003	10603	7546	10723	8438	12601	16394	12483	8407	15379	14105	11169	6964	10427	10398	12022	20643	10669	16413	22003	19283	14468	14233	25222	10890	7258	22490	20926	11622	12981	13756	7816	9870	0	0	0	7060	0	0	17692	16648	14140	9517	14868	0	16006	15963	9438	15003	10375	6138	16420	5743	8206	10922	4862	7814	12264	13737	16907	14526	12242	10771	11806	16119	10619	16536	0	9926	13848	6085	8415	5198	12620	12012	22299	11913	17816	8996	13094	8113	17245	19208	12048	4123	0	0	13304	13084	14697	13360	18770	26958	8961	17242	6897	13468	19568	0	9846	8526	Lipid	0.22580644	1.516129	0.032258064
24	C24 H51 O12 N1	546.3484	546.3487	0.2968858	546.3486	3948	3836	2994	3695	1879	1017	3723	1788	2125	1263	0	0	0	3797	1953	15598	74030	0	4449	0	0	0	0	0	1815	0	5717	1460	3188	1260	1431	4922	2714	1859	0	6776	4059	2071	222528	0	3422	1257	3234	2791	0	0	0	2344	2248	2198	3260	3907	0	0	2014	2188	2527	26132	2463	1695	7021	1037	0	2565	3238	0	2609	148788	0	0	0	0	2430	2478	3436	2623	0	1099	4575	0	1537	1322	3089	0	3843	0	7617	1224	3159	7983	0	2970	0	0	0	0	3174	4517	1292	5845	6379	3573	1265	1812	0	11371	1713	2293	3438	0	Lipid	0.5	2.125	0.041666668
8	C24 H51 O12 N1	546.3484	546.3491	0.36227188	546.3486	964	1518	1989	2120	0	0	0	0	3074	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2570	0	0	0	0	0	0	0	0	0	0	0	0	0	1419	0	0	0	0	0	0	0	0	1068	2753	0	0	25070	0	49647	0	0	0	0	0	0	38764	2649	0	1882	0	0	0	0	0	0	0	0	0	0	0	0	4705	0	0	0	0	910	0	0	0	0	0	0	0	0	0	0	0	0	0	1810	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.5	2.125	0.041666668
22	C24 H51 O12 N1	546.3484	546.3489	0.081510805	546.34845	0	0	4824	0	0	0	1658	0	0	0	0	1300	0	0	0	6784	18574	0	0	0	0	0	0	0	0	0	4836	0	0	0	0	0	0	0	0	2976	0	0	28816	0	0	0	4483	3369	1367	0	0	3118	0	2364	3778	0	0	1976	0	0	0	12482	2586	1578	0	0	0	0	0	0	0	38354	0	0	0	0	0	0	0	2600	2872	1181	0	0	0	0	1425	0	0	0	0	1200	0	3994	0	0	0	0	0	0	0	0	3448	5098	2966	0	2218	0	0	4902	0	3065	2946	0	Lipid	0.5	2.125	0.041666668
6	C24 H51 O12 N1	546.3484	546.3496	0.22207619	546.3485	0	0	0	0	0	0	0	0	497	0	0	0	0	0	1640	0	0	0	0	0	0	0	0	0	4808	0	0	3138	0	0	0	0	0	0	0	0	0	2223	0	0	0	1329	0	0	0	0	0	0	0	0	0	0	0	0	21025	0	58356	0	0	0	0	0	0	12532	14163	0	9341	0	0	0	0	0	0	0	0	0	0	0	0	3052	0	0	0	0	0	2268	0	0	1086	0	0	0	0	0	0	0	701	780	4554	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.5	2.125	0.041666668
26	C28 H51 O9 N1	546.36365	546.36414	0.22674035	546.3638	0	0	0	0	0	0	20285	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9464	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2164	5207	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3051	2196	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.32142857	1.8214285	0.035714287
28	C24 H18 O15	547.07184	547.07275	0.37863824	547.0721	3599	4895	2941	3864	11581	5854	0	0	12359	3396	1633	1006	28814	3155	0	0	0	16671	11880	2959	3841	8815	3473	0	0	0	1214	0	0	0	0	0	918	0	6219	0	0	2099	0	0	2366	0	0	0	0	3090	9239	1256	0	0	4868	4285	5733	0	17240	11701	2456	0	1036	0	0	2114	24517	10446	2453	13476	2399	0	0	2532	934	0	0	0	0	0	0	0	4823	3450	4295	4031	0	0	17428	6704	4641	0	3210	1384	858	1466	0	8431	7959	0	4627	3096	6546	12235	14153	0	1323	0	4571	1223	12431	0	0	23235	Phytochemical	0.625	0.75	0.0
26	C24 H18 O15	547.07184	547.07263	0.28928566	547.072	3725	3796	4052	5701	12440	5416	1466	0	15601	2640	0	0	29660	5212	0	0	0	18143	10064	0	0	9899	0	0	0	0	0	0	0	0	0	0	0	0	5602	0	0	0	0	0	0	0	0	0	0	0	11383	0	0	0	6067	5236	6489	0	14485	16458	3819	0	0	0	0	0	31768	11133	3322	13331	2968	0	0	0	1991	0	0	0	0	0	0	0	5902	0	5492	3451	0	0	19198	6790	2472	0	2418	1776	0	1405	0	10106	9831	0	6224	0	8960	16158	18523	0	0	0	0	0	11810	0	0	24339	Phytochemical	0.625	0.75	0.0
18	C24 H18 O15	547.07184	547.0729	0.30009767	547.072	16562	8818	11750	12426	43282	12122	0	0	41894	6684	5180	2192	79228	8930	2776	0	0	39894	24748	0	4896	32810	8256	0	0	0	2204	0	0	0	0	0	0	0	10422	0	5276	5502	0	4386	8804	2922	566	0	0	8264	35224	920	0	0	10692	12870	22500	0	26468	42138	10512	0	3304	4276	0	4786	108430	27770	10494	43546	8902	2914	2838	0	0	0	0	0	0	0	0	0	20280	13224	13544	17702	0	0	58880	17550	0	6008	9102	0	0	0	0	41058	17312	0	12870	3464	41942	70504	56046	0	0	0	18686	0	38776	0	0	55872	Phytochemical	0.625	0.75	0.0
24	C24 H18 O15	547.07184	547.0728	0.35749513	547.072	4252	5549	4289	5278	10353	4736	0	0	14459	3203	2435	956	33829	4908	2227	0	0	15337	12463	0	2674	11502	3537	1042	1292	0	0	0	0	0	0	0	1368	0	5029	0	1782	1334	0	1046	0	1181	0	0	0	3159	8286	0	0	0	2616	3820	8085	0	15255	14668	4627	0	0	0	0	1962	28163	13389	3289	15522	1268	0	0	0	0	0	0	0	0	0	0	0	4580	5397	3347	6326	0	0	28774	7909	1923	1676	0	0	0	2089	0	7762	6414	0	3531	3965	10813	12728	17800	0	876	0	6099	0	13713	0	0	27775	Phytochemical	0.625	0.75	0.0
16	C24 H18 O15	547.07184	547.0729	0.32472423	547.072	3209	3132	3154	4345	13858	2729	0	0	20420	0	2965	0	28370	3253	0	0	0	5950	10031	0	2947	10655	2006	0	0	0	0	0	0	0	0	0	0	0	3842	0	0	1101	0	0	4030	1468	373	0	0	3890	13049	498	0	0	5534	3976	5909	0	8864	16955	6567	0	0	0	0	2133	35003	17922	3921	22241	4590	0	0	0	0	0	0	0	0	0	0	0	5353	4279	3176	7184	0	0	22679	5518	2927	2448	3337	0	0	0	0	19931	7475	0	2500	3257	14528	26736	24497	0	0	0	9714	0	12077	0	0	25252	Phytochemical	0.625	0.75	0.0
22	C24 H18 O15	547.07184	547.0729	0.31928703	547.072	10426	6826	8490	6226	29590	12854	0	0	31746	4690	3750	2112	63944	15236	4900	0	0	35968	24010	0	6244	23210	3940	0	0	0	0	0	0	2008	0	0	0	0	11586	0	3768	4044	3626	0	6446	6086	0	0	0	4824	17136	0	0	0	9658	8076	22018	0	33008	43908	11898	0	2732	0	0	4770	73518	27368	7400	26304	6814	0	0	0	1806	0	0	0	3268	0	538	0	8796	11224	13290	7886	0	0	44478	11212	10086	5934	5164	0	0	0	0	28036	19636	0	7112	7124	21588	53126	37794	0	0	0	11742	3264	27814	0	0	64926	Phytochemical	0.625	0.75	0.0
20	C24 H18 O15	547.07184	547.0728	0.30712143	547.072	7607	6224	6119	7935	12457	6222	0	0	22197	4291	4230	1257	40575	5116	2962	0	0	19847	12006	0	4415	15572	2101	0	0	0	0	0	0	0	0	0	1671	0	5389	0	0	2296	3019	2363	1939	1742	492	0	0	6213	7738	1072	0	0	5907	4531	10027	0	15903	19845	6861	0	1465	0	0	2471	35155	20161	7127	27948	4000	1663	1439	0	0	0	0	0	0	0	299	0	6209	9237	8164	9693	0	0	26637	8253	4234	2928	4830	0	0	2338	0	14648	10849	0	6985	1934	20994	32805	26140	0	0	0	9917	0	16883	0	1459	31784	Phytochemical	0.625	0.75	0.0
14	C25 H22 O14	547.1082	547.1092	0.20031407	547.10834	16601	20565	13469	21750	33296	10566	2644	2347	37033	36061	27245	4880	41459	11358	6281	6302	2883	23686	30056	22631	28754	44251	9262	4439	2644	3581	4085	0	2055	1589	0	0	8477	2838	58759	1900	3991	10296	2131	15958	21880	4368	0	0	0	20817	44000	0	0	0	12102	16829	18657	0	28165	25933	11317	7206	0	0	0	13195	58229	35902	12212	36907	11012	2361	0	9520	13752	2720	3036	0	1275	3051	0	2624	19298	31331	13403	32249	2143	6528	37045	17433	16893	7804	9670	8949	2864	6407	6316	51296	42999	0	13752	20422	31009	50530	39235	3714	3769	3743	28960	5280	25561	0	3222	42337	Phytochemical	0.56	0.88	0.0
24	C25 H22 O14	547.1082	547.1091	0.36951518	547.10846	14056	12730	14342	18702	30418	15072	2530	0	27810	32600	11216	0	70344	14496	6562	0	0	39116	26512	13092	11972	27584	12318	3302	3948	6119	0	3400	0	0	0	0	2528	1776	38358	0	3602	7434	0	6214	8796	3478	0	0	0	24400	44540	0	1962	0	16188	15474	10416	0	36606	27584	14092	0	3886	2678	3260	8962	63362	27874	7608	32706	4612	0	11334	7236	12512	0	0	0	0	2246	0	3848	16264	19172	11320	29460	0	3994	49222	18984	11268	3966	4586	0	3052	5570	5140	34370	42716	0	11180	14256	21958	30988	31382	0	0	0	23686	2462	19340	0	2090	63934	Phytochemical	0.56	0.88	0.0
22	C25 H22 O14	547.1082	547.10913	0.38203922	547.10846	13176	10827	12723	10648	26673	16312	2774	0	29163	23959	10025	0	47564	11423	5158	2236	0	29638	19725	12201	13577	30407	5147	3599	3350	5918	2330	5326	1677	0	2139	0	3062	1872	32074	0	4642	4914	1746	10237	7175	2881	0	0	0	23837	33707	0	0	1207	13526	9689	14702	0	32146	25224	11783	0	3448	1739	1580	9638	52852	28031	8176	31857	6234	0	8024	7505	8790	0	0	0	1148	0	401	2779	16438	18798	10728	24829	0	6026	32536	15237	8770	4782	4921	0	3834	10174	3936	26541	32366	0	12128	11869	21139	26941	26426	0	2815	2215	25867	2972	21584	0	3619	48962	Phytochemical	0.56	0.88	0.0
16	C25 H22 O14	547.1082	547.1092	0.27772325	547.1084	30649	35147	25179	23610	48287	23191	5298	2843	64013	59548	30772	5715	95909	15611	9880	6099	2762	56377	48145	32339	41505	73129	16293	6454	5500	4002	5054	8331	0	1849	5392	0	4389	0	80820	2246	5499	10175	2396	27789	30720	9487	0	0	0	48192	66838	0	2670	5068	25206	24871	29273	0	48522	42742	15160	5890	4675	3569	0	23980	92481	53388	12321	54232	13207	4528	6748	8042	11153	2678	1522	0	2024	2656	0	4164	31683	45968	18895	50862	4094	12829	59464	22800	18751	8871	10838	0	8519	9676	0	85183	77135	0	19138	29018	35701	67934	52794	6077	5598	7521	39728	0	37770	0	6489	91465	Phytochemical	0.56	0.88	0.0
26	C25 H22 O14	547.1082	547.1091	0.31734368	547.1084	4240	5186	3203	4492	13818	5279	0	0	14076	13331	0	0	28331	4895	0	0	0	15277	12689	7345	6924	9937	0	0	0	0	0	0	0	0	0	0	1694	0	15350	0	0	2835	0	3216	4268	0	0	0	0	9109	10829	0	0	0	4964	4475	5347	0	12777	12248	3058	0	0	0	0	2957	24077	7224	0	11339	0	0	0	3336	4526	0	0	0	0	0	0	0	4809	0	3201	9107	0	2700	10948	0	1899	0	2397	0	1766	1930	0	11154	12964	0	4898	0	8041	8988	11163	0	0	0	8291	0	8855	0	0	24153	Phytochemical	0.56	0.88	0.0
12	C24 H22 O13 N2	547.11945	547.12054	0.3711254	547.1197	7794	6528	10173	3960	16233	0	0	0	22929	15705	9357	4488	42102	3414	0	0	0	23562	20466	10218	31461	44943	6843	0	0	0	0	0	0	0	0	0	0	0	39807	0	0	6078	7749	24234	34809	3924	0	0	0	36168	79326	0	6222	0	0	11019	9858	0	29610	21057	4992	6360	0	0	0	14088	53160	23904	5118	26208	5418	0	0	0	4902	0	0	0	0	0	0	0	9846	0	4053	33405	0	5364	20712	10725	7233	5475	6195	0	0	6936	8791	59829	33573	0	11007	11013	16827	20574	19764	5610	3210	0	0	4305	13497	0	0	39099	Phytochemical	0.5416667	0.9166667	0.083333336
14	C24 H22 O13 N2	547.11945	547.12054	0.2998586	547.1196	4989	6293	3968	6444	6900	4611	0	1685	9810	11803	6726	1991	17432	0	1461	0	0	9243	11083	8858	11603	25110	2742	0	1539	0	1121	0	1448	1464	1088	0	0	0	13505	0	1443	1959	1883	10528	16787	2518	0	0	0	18352	32809	0	0	0	5345	4800	3852	0	14911	7969	2547	1479	0	0	0	13792	21770	12200	3222	12039	3889	1462	0	2198	3022	0	0	0	1300	0	0	2781	4645	0	2011	17597	0	3998	11069	4027	5132	0	2571	6632	0	3660	4020	23730	18149	0	7664	5264	6288	10473	9796	0	1168	0	23673	1611	5136	0	1392	20854	Phytochemical	0.5416667	0.9166667	0.083333336
16	C24 H22 O13 N2	547.11945	547.1204	0.27734792	547.1196	4584	5025	7567	7730	12387	5484	1578	0	9757	11200	6178	1299	19413	1349	0	0	2048	6795	8714	10926	9747	23026	2306	1792	0	0	1834	0	0	0	1201	0	2197	0	23237	0	1635	2124	1284	14632	15192	1469	0	0	0	17500	41200	0	0	0	5997	7033	6118	0	15279	10022	3206	4468	2252	0	0	11474	23710	11889	4177	9341	6529	2949	2268	3702	3644	1495	1426	0	0	0	0	0	4037	12781	4545	20732	0	3607	9815	2919	5389	3060	3553	0	0	4939	0	20096	23818	0	6001	3591	6584	9780	9192	2039	1746	2994	23048	0	7600	0	2220	16331	Phytochemical	0.5416667	0.9166667	0.083333336
20	C24 H22 O13 N2	547.11945	547.1203	0.09432186	547.1195	2580	4315	3519	2644	4087	3197	0	0	5549	3585	1559	1394	9540	0	0	1827	0	6007	5208	6447	4388	14182	2247	0	1545	0	1197	0	0	0	1330	0	0	0	9904	0	2812	0	1557	5699	3228	1071	0	0	0	13167	23380	0	1486	0	1898	4121	2308	0	9670	7180	1278	1981	1074	1167	1445	7409	12770	7438	0	3817	1666	1535	1812	0	0	1619	0	0	0	0	0	2367	4570	8200	1909	12813	0	0	4818	3172	3391	1499	1604	3124	0	2763	3705	13897	10771	0	2956	4388	2798	3523	2810	0	0	0	18403	0	5223	0	1631	9622	Phytochemical	0.5416667	0.9166667	0.083333336
18	C24 H22 O13 N2	547.11945	547.1203	0.2282957	547.11957	4930	6924	3794	4614	5977	3137	0	0	7913	7286	2318	891	20494	1951	0	0	0	12233	5412	6221	5823	23011	1515	2192	0	0	1814	1388	0	0	1380	0	2339	0	11100	0	1998	2251	0	9004	10964	3759	0	0	0	20691	33445	0	2329	0	2119	7808	4116	0	10091	8404	2631	3758	1308	1772	1922	8711	19196	13524	3219	10291	1729	1877	2515	1932	2291	0	0	0	1542	0	0	1603	3801	12438	2818	18519	1519	1934	11043	3111	3396	1949	4368	2347	2895	3289	6184	20159	24009	0	3797	4908	6495	8032	8296	1812	1251	1843	22856	2494	5855	0	0	9910	Phytochemical	0.5416667	0.9166667	0.083333336
24	C26 H26 O13	547.1446	547.14545	0.3145436	547.1448	11412	10189	13525	13840	18246	10903	0	2134	23983	47147	10512	2558	43013	6125	5549	4891	0	28496	19541	30252	26651	26026	7312	2013	5189	12288	2777	8592	3675	0	1736	0	2717	2201	36767	0	4795	5880	3638	14119	10553	0	0	0	0	30129	29906	0	2388	3129	11713	12440	10434	0	19845	16418	6034	4567	3641	2687	2357	8204	33928	19689	5482	20520	6826	2314	8224	16844	16316	2565	1789	0	2271	1511	0	2689	9721	14984	10487	26063	2618	10360	25707	4633	7289	3490	5871	2759	4117	8166	5641	18512	31115	0	12851	15396	15905	16417	13423	2921	4691	3158	27217	2994	11752	0	3566	29389	Phytochemical	0.5	1.0	0.0
22	C26 H26 O13	547.1446	547.1455	0.3250955	547.1448	25854	28287	20364	27608	38159	27042	5276	6017	46315	78395	26913	5818	62510	18476	11841	7866	3892	48966	39329	45372	45168	53432	14865	6554	7442	20301	6343	17330	3637	3803	6922	8216	8436	3290	95993	3071	11994	10609	4237	35441	19073	7424	0	0	0	65977	60064	0	7247	6218	32041	28860	26562	512	53687	35542	14420	7669	8565	4423	10141	26262	79576	31258	14604	41966	15472	4369	17928	36360	33497	7840	3583	1771	5301	3898	0	4144	22266	28949	20913	52401	4681	22916	40411	23155	21014	8160	10618	6891	11376	17073	9495	36207	57713	0	28599	19787	36739	38499	34929	4497	6034	6730	102450	6690	30878	0	6513	68170	Phytochemical	0.5	1.0	0.0
26	C26 H26 O13	547.1446	547.1455	0.3597367	547.14484	6713	4114	5170	5756	8549	6642	0	0	12271	19769	3297	0	22675	4106	0	0	0	15044	10685	14072	11992	14428	0	0	0	6758	0	3619	0	0	0	0	1668	0	28255	0	1949	0	0	8244	7309	0	0	0	0	13906	13681	0	0	0	5036	5356	8181	0	14750	8850	3324	0	0	3245	0	7008	23475	11970	0	8960	0	0	5407	16444	10119	0	0	0	0	0	0	0	7563	7394	6360	12662	0	5047	10606	0	3379	0	0	0	2560	4694	0	12182	18645	0	7456	5129	6714	13411	12472	0	0	0	10591	0	5847	0	0	20706	Phytochemical	0.5	1.0	0.0
14	C26 H26 O13	547.1446	547.14557	0.24668786	547.1448	43799	41386	33172	43954	47227	22210	15679	16327	46422	132236	59588	13276	47905	16189	14428	18352	15979	34758	39444	79706	72066	83966	19575	19968	10361	24095	13881	42437	13530	13451	14458	16345	20268	16878	133864	16296	19899	22058	17033	38640	51538	11564	0	0	0	79259	109352	0	15448	18285	32215	30288	26721	0	46199	29737	17502	19359	21966	15107	0	33163	60207	39702	16030	43872	21053	17057	34327	33984	47856	23441	15126	11791	14553	16914	0	12634	35028	47446	27545	61951	11196	27566	38412	22369	26055	17061	16741	25075	13683	33077	26997	57935	65701	0	34935	31402	37123	36677	35121	20551	14653	20580	91543	13196	33156	0	14752	46399	Phytochemical	0.5	1.0	0.0
12	C25 H26 O12 N2	547.1558	547.15686	0.24641521	547.156	15519	15564	16886	17938	11062	9232	5765	10867	16060	36368	15648	4808	24153	5163	8390	11653	12243	20963	16440	31831	39168	49266	12446	12348	9450	8640	4563	10173	6437	5651	6548	8494	13764	8864	60625	4886	10064	5950	8540	38382	34756	5828	0	0	0	41769	48461	0	7771	6507	15723	16800	8266	0	17843	13111	7311	9209	11430	0	0	25358	37542	19883	7475	19820	9411	10520	0	14701	12080	6427	4879	5928	6112	5136	0	8560	11728	15491	10240	24652	7697	15552	16852	6964	14012	5837	9919	22137	3476	12747	17833	33384	32022	0	17932	16177	16994	15904	17624	6653	5505	10798	23927	10230	12029	0	8574	25129	Phytochemical	0.48	1.04	0.08
20	C25 H26 O12 N2	547.1558	547.15674	0.26622412	547.156	5876	7258	10349	8235	7518	5621	2063	3309	9625	14636	5212	2355	17829	6850	3369	4290	2842	9930	11834	15327	17346	22690	3876	7372	3200	3590	3373	3208	5600	2210	2287	3424	3305	1866	17829	2294	7785	4508	0	18888	8879	3492	0	0	0	19813	14750	0	3298	3677	5665	7990	6555	0	11808	7126	5168	6283	4722	1854	4129	13577	14001	10876	3045	12207	2885	3692	2602	8501	3512	4169	2985	1398	3798	1759	0	5022	6939	17068	4156	18513	4755	0	5118	5713	8672	3623	4098	3107	0	9814	9823	16129	26708	0	10754	6276	6491	6991	7319	5954	1910	3674	27074	6295	8019	0	6495	14796	Phytochemical	0.48	1.04	0.08
14	C25 H26 O12 N2	547.1558	547.1568	0.2557964	547.156	26048	27349	20302	14185	17623	12767	7580	8818	25112	49052	24221	8146	36244	8872	8829	13310	8382	30678	22475	52207	42326	66124	13440	19258	11012	10074	4576	8695	10710	7649	9476	10164	17826	12173	61519	9830	14855	11198	10937	45820	34072	9120	0	0	0	44734	67376	0	14986	8713	21702	27200	12540	0	34005	21194	7983	15377	16340	7672	0	37748	35138	27952	7604	23625	11263	11522	13694	14471	15772	8875	9694	8968	9500	7466	0	7171	19128	36971	13331	34065	8364	18483	26550	11367	16104	13574	10974	17505	13130	18974	29393	40128	44608	0	23905	24765	12823	24537	18798	13571	7166	16645	55155	12673	13006	0	11116	31600	Phytochemical	0.48	1.04	0.08
14	C27 H30 O12	547.181	547.18195	0.19867933	547.1811	53794	54977	54079	47052	33013	21768	29949	47613	46835	115937	74653	30425	30536	18564	26783	41398	30420	38934	42285	92073	89784	65942	32556	56574	25877	59569	28388	59138	32471	34392	33710	44627	37321	31827	147694	31473	32785	33956	32303	72557	69291	19664	0	0	0	67911	84617	0	37959	37028	51043	63744	24443	0	38925	27829	19363	56427	31794	37348	43164	38028	49818	31584	18864	40166	25423	33467	49591	71000	90904	33621	30318	31661	33016	41927	0	28570	49316	39743	41895	53578	29642	45159	40563	24523	39372	21771	27301	47739	36883	30351	48031	49694	66877	0	50864	58258	40429	34147	33256	35199	27571	51869	50448	26481	30459	0	30879	39799	Phytochemical	0.44444445	1.1111112	0.0
28	C27 H30 O12	547.181	547.1818	0.308313	547.18115	4152	5232	6341	4566	6970	3849	2144	2448	7766	17248	4165	1366	16656	3205	2488	3340	0	10064	9778	14464	12188	6444	2932	3956	2824	10938	1530	3971	0	0	1867	0	2503	2349	21215	0	2800	1640	1674	7802	4464	2865	0	0	0	8160	5678	0	2009	0	5820	4829	4114	0	10605	6089	2657	1728	2159	1357	3088	3932	13789	4783	1780	10017	2611	1836	7037	17723	14744	1503	1566	0	0	1508	0	2495	5952	4050	4560	3639	2086	5334	8495	3299	4044	2364	1988	2376	3246	5400	4836	6171	7438	0	4510	3220	5269	6493	7666	2497	1463	2828	4898	1519	6289	0	2212	11301	Phytochemical	0.44444445	1.1111112	0.0
26	C27 H30 O12	547.181	547.18176	0.25551236	547.18115	11225	11247	13552	9301	16787	9224	2068	6379	20159	38853	11790	0	33667	8130	8406	5891	0	20961	18814	28278	29873	19079	9202	0	0	18842	3656	9720	0	0	0	0	5607	2718	43968	0	5768	5000	3169	19497	11393	0	0	0	0	22873	20383	0	6771	0	13658	11043	12195	0	20633	16109	7545	6030	6127	3389	0	8868	26759	13265	5973	15797	9064	4511	16624	32052	23145	4077	0	0	0	2709	0	0	13586	6198	10178	12636	4392	10614	18683	8056	10135	5260	5104	4888	10650	8131	10359	13085	20947	0	13684	14497	11979	19039	18386	5322	4365	6862	13647	6501	13851	0	3502	27662	Phytochemical	0.44444445	1.1111112	0.0
12	C27 H30 O12	547.181	547.18195	0.22649965	547.18115	17930	19190	18114	19024	7754	4009	15109	15887	11428	33343	22474	12931	9353	4505	10058	16336	14037	11100	12790	28558	30384	23535	15194	16657	8732	19673	11478	11421	11467	14265	14397	15792	11952	12561	99370	14539	13920	11228	19299	22216	27943	7043	320	0	0	24424	35346	0	16776	15769	17050	23043	6187	0	14802	8403	8347	20411	13109	14012	0	15607	10899	10141	6267	8388	7969	13910	26693	23440	27165	14615	11776	13190	13586	14804	0	9534	18293	0	13488	19423	13704	15177	15048	9132	17545	5560	5623	15774	11737	9894	13515	12992	16827	0	13064	20189	13640	11955	10555	19139	10608	25548	0	7652	11477	0	12562	7540	Phytochemical	0.44444445	1.1111112	0.0
12	C26 H30 O11 N2	547.19226	547.1932	0.1447759	547.1923	19887	23463	21089	28609	14148	14740	16533	23891	17046	66974	25048	12763	21748	6961	19621	18209	19683	19286	24087	56956	48898	70526	19974	21143	17456	16523	10872	24195	27259	12069	21922	19175	26855	19132	79083	18128	24233	15496	21750	48054	51737	14241	0	0	0	41870	34855	0	22089	16382	24162	20066	11920	0	21993	13512	9802	26867	21853	14554	0	37596	30874	18311	8301	27052	14509	20753	0	33819	23541	18361	17920	12764	10645	13882	0	17367	20813	20099	14742	25000	16989	29855	12426	13156	20526	11956	16040	39537	18330	38521	34677	34942	38675	0	19812	28511	8580	9907	15030	25256	13929	27186	23926	21186	10137	0	19480	20430	Phytochemical	0.42307693	1.1538461	0.07692308
20	C26 H30 O11 N2	547.19226	547.1931	0.21158642	547.1923	14749	10662	9236	14507	11971	14244	10870	16556	11370	38133	13065	4053	25829	8545	11622	14212	5783	11638	8605	23866	20755	23948	11138	15800	14724	6466	6573	11041	12764	9094	11912	9755	13511	12054	48346	9301	17586	10594	8062	29828	11605	6535	0	0	0	17435	13559	0	10811	7765	12741	17715	9788	0	16912	7472	7399	10479	12551	3354	9072	15634	16331	10944	3310	9535	8545	6258	5449	17731	9249	7481	7638	7886	4858	10650	0	7738	9559	12228	8148	9030	9923	26132	8589	8937	12060	7817	10047	11160	12333	20032	31486	16320	26596	0	13450	8853	7635	5937	8247	10668	5450	12947	13833	16440	6793	0	8382	21867	Phytochemical	0.42307693	1.1538461	0.07692308
16	C26 H30 O11 N2	547.19226	547.1931	0.14837807	547.1923	33966	40633	35991	38922	22526	16215	23024	34773	27401	86802	32157	18213	45079	11890	28121	31118	15234	30711	46448	64107	50408	72775	23899	41110	28928	16789	16926	27150	30357	26554	29703	29172	42803	21242	100588	27241	39938	19761	20500	66608	32564	18001	0	0	0	51674	28414	0	37224	24129	41025	32519	22990	0	38383	23524	15505	33774	37369	17249	34990	42048	39054	25902	14175	33190	27681	22860	17883	46557	30069	27769	30206	28169	20107	22622	0	20561	30859	29804	26529	30228	27198	42843	20505	16713	26171	21524	22971	29790	44483	64139	59618	35937	59066	0	36382	39180	19243	22170	21038	33761	17298	35968	31002	32784	21091	0	30261	46702	Phytochemical	0.42307693	1.1538461	0.07692308
14	C26 H30 O11 N2	547.19226	547.1932	0.20040916	547.1923	31752	31590	33155	39402	22542	18395	21507	34185	25157	84526	34386	16827	32873	10317	19435	28959	16098	25525	31759	76711	53939	79146	25358	44321	30172	20263	19430	31708	22813	31038	27446	25657	40051	20407	112049	27970	35647	22354	22600	66517	46145	17002	0	0	0	50984	46572	0	28515	26003	39930	33698	17814	0	30712	16215	16415	34174	40774	16238	36760	43298	38897	33394	11702	25830	20233	26416	14115	38840	26997	25918	20991	24235	20240	24220	0	19819	30451	32844	20998	31707	20961	34791	21630	12140	29141	22753	20023	35661	40418	46111	52258	38275	54965	0	28482	33666	17233	20581	16926	36552	18599	38201	45067	32073	18811	0	22452	32608	Phytochemical	0.42307693	1.1538461	0.07692308
0	C26 H35 O9 S1 Na1	547.1972	547.1984	0.47393414	547.1975	2006	3812	2336	3251	0	0	1523	1632	0	0	0	0	0	0	0	0	26313	0	0	0	0	0	0	2683	0	0	0	0	0	0	0	0	2823	0	0	0	3957	0	33914	0	0	0	0	0	0	0	0	0	0	0	1971	2467	0	0	0	0	0	11606	0	0	4853	0	0	0	0	0	0	31968	0	0	0	0	0	0	0	1567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1917	0	0	0	2508	1991	0	0	0	2150	0	0	0	1856	0	0	1338	938	Organosulfur	0.34615386	1.3461539	0.0
22	C28 H34 O9 S1	547.19965	547.2005	0.5938979	547.19995	19796	41344	20526	27496	19518	18000	6446	14493	18672	108270	69572	15090	33622	0	13314	21985	11474	24984	49154	163144	98066	48346	17274	27718	19174	91252	3872	108980	23154	15337	10216	10394	21512	9836	117288	12544	16874	8146	15718	83134	66368	13210	0	0	0	47966	38686	0	17738	7270	76674	22798	19214	0	25998	19824	10930	38536	39520	15838	22726	59972	27626	17616	10196	35708	19182	11652	123294	105056	108810	20162	5398	8056	0	6898	0	11808	19022	30154	12088	33340	36356	69514	49566	16676	41184	15780	8648	40700	102548	107692	33152	43972	70832	0	46366	69447	21176	16304	12244	36852	5832	52888	25774	12668	25374	0	11914	41122	Organosulfur	0.32142857	1.2142857	0.0
24	C28 H34 O11	547.2174	547.2182	0.1722791	547.21747	79526	73397	70978	76110	86705	55723	24026	62530	92645	189767	80440	36567	137927	44950	59744	60145	22373	100611	103782	147087	147229	75011	60036	74591	44823	108354	24983	67658	41914	37505	47549	48357	64459	38559	214909	52684	75704	44101	23713	102312	66197	39555	0	0	0	90340	58063	0	58940	46296	64627	73208	63821	0	115207	72352	36618	58489	53238	20319	58615	63897	116759	90887	32059	99967	47649	35581	96248	201164	147977	57291	38201	41953	25953	40248	0	40914	77110	33063	59993	56343	40212	56563	88785	53182	65624	35499	45751	40597	66461	62577	84999	47452	77949	0	74926	77142	63454	76452	70241	57034	30584	54625	58505	53401	63319	0	45182	135141	Phytochemical	0.39285713	1.2142857	0.0
14	C28 H34 O11	547.2174	547.2183	0.1874001	547.21747	46225	39691	43611	42474	22779	18107	24915	44308	26647	64797	37991	31180	27129	13796	31118	50874	37944	23664	24185	65361	50113	47198	29405	47229	28713	47318	25970	45813	27144	34570	29196	50468	43714	23394	55089	40577	29873	29648	42047	38968	46577	19093	0	0	0	32637	35600	0	40947	35511	44522	42076	19711	0	34421	20695	14737	49556	31162	33880	47274	25295	34135	30972	14664	20887	16636	41501	45262	48688	63237	25447	31945	36728	31171	37163	0	30544	46324	33108	35501	29527	38484	31310	28943	19928	46879	13856	20872	60726	28326	29905	38584	20148	35858	0	40544	33671	21499	32120	28631	36268	21502	52592	0	30515	19670	0	36249	25635	Phytochemical	0.39285713	1.2142857	0.0
26	C28 H34 O11	547.2174	547.21826	0.17736985	547.21747	23582	32877	21579	26805	33212	24922	5394	17952	37136	68343	26130	13782	61998	18433	19022	21769	8282	41842	39640	66838	67413	23325	19761	26274	14454	47770	6244	23177	14686	9617	14049	10617	20490	17681	74013	13366	23069	16221	9644	32534	25823	10974	0	0	0	35275	30603	0	19574	11139	27483	26460	19064	0	52237	33161	14357	20124	14932	8646	20504	25305	52439	33740	11851	31719	18601	11099	48357	82898	72920	13925	11757	9955	7608	14819	0	10830	26479	12580	22222	19863	13071	20993	41717	20814	27013	12498	13477	10567	23768	18465	30132	20646	35720	0	25500	28025	22165	33971	35576	17517	12221	18463	18826	16304	23342	0	13836	57770	Phytochemical	0.39285713	1.2142857	0.0
12	C28 H34 O11	547.2174	547.2184	0.2475194	547.2175	14515	15713	11743	13596	4624	3468	16184	15741	7825	13366	6904	7922	6321	2315	8663	13714	7788	4786	4214	12008	8834	13818	8993	12929	5975	11689	9931	0	10344	11656	9742	12252	13781	8210	20254	14531	10656	8864	11368	12655	12993	4339	0	0	0	11193	18309	0	14282	14265	12725	12096	4987	0	6944	5213	4526	10893	13418	8284	0	6125	6877	6004	2625	5850	4401	13530	0	14616	18587	6354	10870	10005	13385	10632	0	8960	12126	0	11825	6997	9539	7444	6789	3502	12952	3196	4591	10905	12136	10262	11565	6207	5949	0	14381	14857	8708	8059	7585	12652	6377	14688	0	9875	6061	0	10041	6188	Phytochemical	0.39285713	1.2142857	0.0
28	C28 H34 O11	547.2174	547.2182	0.2409152	547.2175	9685	9386	9224	8669	11011	5086	2524	6701	10406	28988	9576	2381	20457	6085	6140	7339	3149	9281	13586	22016	22529	8212	7966	7258	6715	20030	2556	9287	5550	4048	4385	4029	4933	4788	25724	4462	5601	5552	4170	10144	9709	5022	0	0	0	10080	7467	0	7697	5058	7253	10314	9048	0	17567	11656	5001	6455	4368	2481	6476	7336	17338	12012	2985	16487	6551	3650	17405	32015	29050	4326	3955	0	2541	1994	0	3712	10443	4854	7626	6362	4327	9208	13900	5925	8575	4659	5415	2459	8634	10492	9976	6513	10283	0	8765	8376	8014	9375	17137	5193	3397	9220	4878	6729	9327	0	5027	14855	Phytochemical	0.39285713	1.2142857	0.0
2	C27 H34 O10 N2	547.22864	547.22974	0.10777932	547.2287	3508	0	0	4054	0	0	31002	3218	0	0	0	8213	0	0	6738	0	14838	3546	1892	0	0	0	0	1498	1360	0	7878	9153	3816	974	0	6006	0	3156	0	0	4532	6981	14055	0	0	10640	0	0	0	0	0	0	4092	0	2988	2030	1746	0	867	0	5602	2150	0	0	0	0	1257	1152	0	0	8974	17327	0	0	0	1400	1338	1564	0	1274	0	10350	2824	43428	5090	0	0	0	560	4092	2054	1690	7302	8136	7203	3501	4657	4020	0	0	2502	2288	0	0	0	4124	9840	585	0	5546	0	0	1952	2079	Phytochemical	0.37037036	1.2592592	0.074074075
10	C27 H34 O10 N2	547.22864	547.2296	0.24009931	547.22876	10509	8601	8951	9107	4350	3888	4838	10457	4115	24814	9239	4437	4295	2059	7035	10393	4799	7735	5906	17230	14766	16448	6258	9818	7643	4405	4143	6047	10589	6977	7689	13818	9804	5654	21524	7334	13834	5855	7508	22095	11291	4873	0	0	0	11197	10194	0	12996	8548	10011	10125	3752	0	7377	4187	3708	11678	4110	3952	0	8857	8011	6122	1255	4631	6268	8608	0	12067	8408	11004	9483	6630	5700	6645	0	6092	6863	5849	5749	6121	6390	8523	4619	2253	7133	3735	6058	11475	14429	18361	18304	7184	16158	0	11163	8136	3096	3657	4728	10775	4828	13962	0	7503	1983	0	8271	7080	Phytochemical	0.37037036	1.2592592	0.074074075
16	C27 H34 O10 N2	547.22864	547.2295	0.1114491	547.2287	24359	21676	23523	26229	11542	10197	25045	29136	11951	38033	20333	15975	14538	9112	24173	23041	15527	19210	19193	46163	31092	30373	25548	31602	25010	8994	15625	21128	33059	23676	27034	31252	44865	25372	55739	25959	34430	23812	21164	40193	22266	14791	0	0	0	27976	17134	0	33085	22428	29047	30497	13122	0	19821	10067	8249	28766	29707	11220	26702	23649	14296	12546	7007	14984	14621	17901	4777	28393	12466	28857	17962	25564	19328	25834	0	14434	16480	15933	17325	14850	25451	21561	8951	9585	25209	16063	17204	0	28274	37058	38834	21848	31142	0	21481	26525	7109	8440	9121	32219	14872	29257	12694	29761	10142	0	23977	16292	Phytochemical	0.37037036	1.2592592	0.074074075
14	C27 H34 O10 N2	547.22864	547.2295	0.13802563	547.2287	19757	25575	16427	19960	7780	8243	19668	25202	9608	31473	15387	13072	10496	5287	15852	19410	15199	10289	14965	34515	28944	34439	14557	24659	20645	9962	13097	19899	20669	19185	18464	17471	30496	15352	42449	18578	20580	11859	15367	36038	17757	14035	0	0	0	25891	13131	0	19625	14671	15353	22072	8285	0	11800	6421	6114	23478	12602	10423	0	23249	10956	8265	4167	11601	13515	17018	0	18876	13425	19809	14245	16031	18008	20381	0	13203	16280	0	12895	12963	13488	21496	8899	7140	19132	9642	13028	20571	27238	22705	33557	14630	28807	0	16828	20565	3506	9069	7019	21707	10551	23425	0	22303	7961	0	17373	9900	Phytochemical	0.37037036	1.2592592	0.074074075
22	C32 H34 O8	547.23267	547.2334	0.040132985	547.23267	8014	10858	10602	8766	9963	6249	3989	5603	10337	12251	25916	5121	6956	13153	5659	11194	7455	7302	10344	24859	19147	10281	5971	11697	7191	62897	5469	18334	6802	7717	5639	0	6008	5612	19757	6878	5983	10211	7421	23020	19921	4678	0	0	0	8755	9806	0	6072	5944	9447	8651	5085	0	10688	9069	7583	4929	5806	4871	9002	11202	9411	8816	4648	8457	7607	9755	48670	45621	83405	5680	4159	6061	5643	6834	0	6271	11144	7057	12731	6830	5883	17765	9328	7352	6359	6219	6864	8624	7512	5697	11493	6765	6609	0	8592	11101	12992	13060	8872	10976	4017	14091	3751	7513	8788	0	6267	10237	Phytochemical	0.25	1.0625	0.0
24	C32 H34 O8	547.23267	547.2334	0.10743852	547.2327	11542	14418	13991	13034	14567	7171	4359	7326	16683	17803	33890	4232	15749	9444	9549	9625	7186	12381	11086	26871	29660	11007	7260	9556	8119	81375	5309	33655	5671	7120	7232	8118	8159	4942	22157	7809	6838	5472	5133	29109	26111	7369	0	0	0	12044	12638	0	8580	9029	10423	14913	13886	0	11740	14682	8212	7504	6890	6693	6944	16992	7869	10873	7148	16158	10959	9471	78630	62163	81149	6649	7993	6401	3132	7982	0	5146	15460	10156	10488	9914	8998	21472	20214	11695	16939	8009	7232	11472	7217	6450	12924	10168	10157	0	12846	12352	9380	16300	22698	9999	5259	10143	8571	9912	15720	0	10822	8400	Phytochemical	0.25	1.0625	0.0
26	C32 H34 O8	547.23267	547.23334	0.10453642	547.2327	7131	6331	6201	7730	7423	3838	0	0	8234	8899	20244	0	8824	7394	0	0	0	0	11944	16945	13885	7040	0	8704	0	53702	2230	18736	6755	0	3768	5705	3313	3531	11429	0	4353	0	3441	11180	18800	0	0	0	0	0	0	0	6297	0	7891	6859	6011	0	7114	9657	3802	0	4460	0	8754	6783	8638	7220	5133	7147	7511	4640	56105	30638	52762	4929	3567	0	0	0	0	0	8708	6953	3992	7282	0	16824	17920	0	9312	5083	0	3238	4772	2832	7304	4315	0	0	7728	7571	9001	11850	9476	5460	0	0	0	5555	9565	0	4181	5654	Phytochemical	0.25	1.0625	0.0
20	C32 H34 O8	547.23267	547.2334	0.023953607	547.23267	2413	4797	4664	2353	3016	0	0	2288	3748	3895	9071	3770	1974	3308	4112	3782	1853	0	7060	8548	6439	5435	4323	4201	2184	22725	2595	6204	4619	5852	3454	4630	0	3626	5312	0	0	0	6170	6843	6910	3674	0	0	0	4882	0	0	0	2174	3081	5866	4596	0	4022	2858	3452	4990	0	3402	5603	4943	5001	3422	0	3666	3585	3859	12648	14352	26317	0	2858	3750	3802	4239	0	3094	5176	0	5216	1803	3456	0	6035	3466	6235	0	3901	4468	4420	7888	4530	3905	0	0	4922	2980	4312	6155	3617	2606	3515	2793	0	3595	4660	0	4553	3399	Phytochemical	0.25	1.0625	0.0
24	C29 H38 O8 S1	547.236	547.2368	0.41997138	547.23627	17038	11656	13705	12947	10320	8216	6152	7142	10361	34206	24601	4301	14333	5024	4405	7618	5207	9353	16318	41406	33297	33378	14770	11251	6328	34231	8138	22344	5378	3998	6034	7001	17802	5219	43001	8136	11012	5224	9748	32837	26511	5277	0	0	0	39128	17257	0	5831	4676	12321	26754	11001	0	9258	10553	9234	23984	25680	19578	8604	21911	18082	7585	6874	10823	15972	6695	44288	45001	32926	5224	4249	0	10820	5474	0	5554	10979	39570	5158	15129	19664	24250	9375	8339	26492	6654	8512	22120	50222	30642	26176	20994	31216	0	13823	11935	16674	8672	6936	18186	3551	15671	30468	8635	10626	0	12546	10465	Organosulfur	0.27586207	1.3103448	0.0
28	C29 H38 O10	547.2538	547.2546	0.1114452	547.25385	17873	13068	16798	12115	19865	11411	8616	14427	18166	26057	14451	5776	29119	10261	11040	11508	4925	17059	22116	29927	27746	12770	13924	14632	9495	34530	6121	17429	13385	10230	11242	8832	15096	9243	38081	12523	13030	8246	8645	19328	13766	7439	0	0	0	12394	9346	0	11074	8109	14941	14487	13523	0	26057	20241	7133	10847	9617	4648	11042	10950	27806	15694	6287	23221	10244	7555	31944	53754	47218	8189	7460	7122	5001	9941	0	7438	18332	9115	10547	8425	8053	10805	21574	10787	13994	7425	6428	9462	10905	15503	15923	9273	11655	0	13756	14150	12859	19894	19849	13176	7337	14058	6826	10759	12765	0	7757	20070	Phytochemical	0.3448276	1.3103448	0.0
26	C29 H38 O10	547.2538	547.2546	0.1412581	547.25385	65464	58044	56125	59869	70105	43543	24185	56733	78395	115130	61865	29469	108418	47487	56977	55375	30092	81713	98317	146354	118256	55013	54067	59007	47923	110585	22232	61460	55343	48075	48205	43703	57438	43216	138813	42734	67168	38209	36298	69076	56463	35379	0	0	0	65834	41685	0	52137	38223	60855	58903	54964	0	99486	77045	39214	53486	48504	18424	60811	42301	105604	68688	26672	71938	48704	35731	99303	174005	142441	46479	40462	40906	29723	42934	0	36933	60636	24773	52962	39620	36340	53599	80271	43154	50858	34913	36650	27671	49273	66966	74374	33284	58199	0	58969	68223	48647	71678	71851	57821	33142	55818	37358	39237	60468	0	37836	93001	Phytochemical	0.3448276	1.3103448	0.0
14	C29 H38 O10	547.2538	547.2547	0.26127133	547.2539	19587	19505	19380	19652	5765	4764	18623	18810	10069	15027	10896	19525	6109	4195	16594	24527	26351	4526	5352	14266	12231	16029	14571	21476	12740	11720	20565	0	12549	17645	15883	16263	17117	8323	10471	17768	17725	16757	26347	4246	17762	6754	0	0	0	5947	12450	0	21577	15648	13482	17718	9572	0	11192	9563	9423	17531	8693	14742	0	7034	8721	13250	6086	7144	7964	25099	0	9055	16481	7344	9899	21242	20099	14464	0	13072	23903	0	16208	7030	15123	8617	10431	5169	19582	6157	8854	34558	9940	11417	14895	5736	7166	0	13475	15877	8619	8903	11774	14121	13384	20426	0	17494	8156	0	20238	7312	Phytochemical	0.3448276	1.3103448	0.0
8	C23 H38 O11 N4	547.261	547.2618	0.28691638	547.26117	3587	4248	2742	3504	0	3282	0	0	0	1619	0	0	0	0	0	0	0	0	0	0	0	1108	0	0	1018	0	886	11905	913	0	0	0	1069	0	1497	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3101	3769	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	845	5713	0	0	0	0	0	0	0	0	0	0	436124	297762	0	2012	1464	0	4104	4017	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47826087	1.6521739	0.17391305
6	C23 H38 O11 N4	547.261	547.2618	0.37261292	547.26117	1262	1422	0	1766	0	3520	1758	0	513	0	0	0	0	0	0	2022	0	0	0	0	0	1658	0	2240	0	0	0	7586	0	0	1388	0	2296	0	895	0	1546	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	900	0	0	0	0	802	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	954	0	0	0	0	0	0	0	0	0	1516	0	132208	71582	0	2020	0	0	0	0	0	0	1676	2292	950	0	0	1758	978	0	0	0	Peptide	0.47826087	1.6521739	0.17391305
10	C23 H38 O11 N4	547.261	547.2618	0.37785086	547.26117	3311	2678	1863	2699	0	0	0	0	0	0	0	0	0	0	0	1684	0	0	0	0	0	0	0	0	0	0	0	8167	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3124	4645	0	0	0	0	0	1193	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	466905	300579	0	1064	0	0	5532	3268	0	0	0	0	0	0	0	0	679	0	0	0	Peptide	0.47826087	1.6521739	0.17391305
18	C28 H38 O9 N2	547.265	547.266	0.31892714	547.2652	6967	7009	7693	5604	2623	3983	8020	10714	2803	7967	0	6829	1507	1733	5266	9830	8235	3736	3672	7911	4195	7950	4359	15229	11093	1398	6388	2016	10327	5105	9685	11466	13000	8717	7238	9811	11121	5611	8439	9357	4367	3701	0	0	0	5960	3921	0	10775	7348	2668	9619	3366	0	6172	0	2768	8674	9233	5354	11599	5027	0	2647	0	4701	2917	9545	1039	5303	1876	12060	7730	7197	7553	7622	0	7734	7078	5114	2878	3611	5460	5419	2083	1638	8678	5857	2732	11265	22100	15639	22398	3198	6276	0	12251	7476	3330	0	2302	13848	6419	9757	3094	11157	1584	0	8772	2997	Lipid	0.32142857	1.3571428	0.071428575
26	C33 H38 O7	547.26904	547.26984	0.10360423	547.2691	14375	12512	11529	10895	7017	3684	5169	13888	9649	10477	24412	8821	8892	8909	7055	14979	11729	6096	14145	17277	13496	4601	9233	17264	0	56829	6410	18618	12995	11110	10003	0	11212	10607	10645	14103	8849	6710	8222	17023	24083	8912	0	0	0	8006	0	0	11476	12347	12799	11425	7060	0	11866	13291	13087	9657	8668	6170	12121	9359	8988	7980	6153	10332	10754	12447	60388	36512	48667	9520	6524	11951	0	10565	0	8884	13471	9647	12588	7931	8877	20261	21482	11678	18198	9883	6394	13189	4016	6592	10919	7970	0	0	9183	15549	8597	22245	20901	11654	5053	12239	7797	12422	7770	0	10539	4455	Phytochemical	0.21212122	1.1515151	0.0
24	C33 H38 O7	547.26904	547.2698	0.06110747	547.26904	13893	13962	12738	15373	5965	5706	6316	15239	12734	12272	25062	10443	8530	9523	12617	18367	12234	8087	10632	21517	21605	15111	12382	14472	11931	65128	4702	20195	12024	14297	11885	14823	14770	8671	16354	13522	14503	12522	17292	18414	23323	8519	0	0	0	9777	8204	0	12241	13939	7684	16303	8366	0	14271	13116	8304	15302	12504	11788	13436	11460	9169	11438	5564	13080	11421	16831	46268	33603	53608	7740	11039	9238	9711	16949	0	10997	19264	9489	13123	9555	12165	23851	16528	11483	18283	7559	9923	20124	9527	14791	20244	12834	10211	0	11190	11051	12579	15709	11101	24698	10008	18372	7513	12170	10010	0	9541	5463	Phytochemical	0.21212122	1.1515151	0.0
6	C30 H42 O7 S1	547.2724	547.273	0.09793853	547.27246	0	0	0	789	0	879	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	882	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49585	0	0	0	0	0	0	0	0	0	0	25838	15359	0	3237	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.23333333	1.4	0.0
2	C30 H42 O7 S1	547.2724	547.273	-0.30377245	547.2722	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	86853	0	0	0	0	0	0	0	0	0	0	487	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47984	0	0	0	0	0	243	0	0	0	0	9632	3940	0	2078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.23333333	1.4	0.0
4	C30 H42 O7 S1	547.2724	547.27344	-0.089315094	547.27234	644	0	0	0	0	664	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	76562	0	0	0	0	0	0	0	0	0	0	23854	8139	0	2232	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.23333333	1.4	0.0
10	C25 H42 O11 N2	547.28613	547.2871	0.6018	547.28644	0	0	1189	1520	0	912	0	0	0	0	0	0	0	0	926	0	0	0	0	0	0	0	0	0	1596	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9070	17597	0	0	0	0	0	0	9258	0	0	21167	10304	2346	8623	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3116	0	Lipid	0.44	1.68	0.08
24	C30 H42 O9	547.29016	547.2909	0.14233199	547.2902	217667	221113	210557	198132	251838	149525	131996	215856	248885	289057	198301	103573	280524	124296	166560	212368	133329	211136	345889	360079	288346	191338	173351	200404	167316	302331	120484	211939	234473	201186	189408	214370	259135	161103	367946	227174	286445	143694	139822	230908	148453	123315	5273	0	0	169070	113703	0	248621	171592	204647	204792	188934	0	344718	224940	122572	233017	186432	90933	219770	150067	295136	247954	109293	218546	153545	142673	234314	430368	319667	176641	154628	172093	142896	183102	0	146810	233159	109189	186832	117747	165957	151220	266224	176138	214863	113346	158373	136208	243207	253622	256171	123255	183934	0	206648	211618	156069	237478	253927	252183	114023	276328	108082	161699	209414	0	148582	256632	Lipid	0.3	1.4	0.0
20	C30 H42 O9	547.29016	547.29095	0.08890498	547.2902	89240	84077	74664	85727	88517	52390	74501	86908	84629	66286	62298	66302	93632	56228	83262	103800	111105	55019	112748	96354	79555	66818	73357	82931	62476	85934	83618	60129	89123	90474	60584	89705	98605	63234	91455	88320	82704	71035	112444	54717	62955	56211	1431	0	0	51277	60230	0	97338	69787	93267	82076	69304	226	126174	99778	59712	105937	66948	58666	93167	43584	93246	89227	58644	75679	58643	107867	69034	96484	116667	56870	60416	84470	113197	76922	0	68260	110825	52705	83332	43410	73334	77678	122298	69002	116452	49048	60510	98083	81690	109763	110082	48151	51377	0	87234	81264	62747	124643	131955	102642	59915	93184	35063	76559	91981	0	73885	91935	Lipid	0.3	1.4	0.0
28	C30 H42 O9	547.29016	547.29095	0.114502884	547.2902	22050	16446	19152	17448	26161	10419	16508	21631	24094	21507	13458	6704	30953	11817	11496	14781	9830	18446	33583	27227	29692	17873	14438	19044	19620	38006	11196	17976	28228	18637	19766	18128	26434	16569	35751	21212	31663	11926	13003	17779	13422	9065	0	0	0	15669	7512	0	23076	14033	19689	17151	18215	0	37320	26948	10509	24481	13806	6401	21043	14297	31483	20125	9046	21420	16806	12569	30652	47983	43144	11984	12662	12823	5425	15329	0	11271	23134	10247	14159	10258	17105	17426	31749	15453	23672	8638	11821	13219	21059	24525	24353	10408	11841	0	21756	20386	14842	36631	36390	22765	9538	23671	7307	18573	23340	0	11841	22716	Lipid	0.3	1.4	0.0
18	C30 H42 O9	547.29016	547.29095	0.114317864	547.2902	29827	28525	33662	29562	23302	13593	33776	30328	21903	18961	14833	22457	27144	12205	27905	35078	53871	15915	35014	29060	24634	24771	33637	33441	29676	18229	34900	15009	33754	29008	28101	30556	24765	23484	19122	33214	30937	31964	56283	10736	19342	14900	397	0	0	13409	10973	0	28913	25367	32025	31410	20427	0	35333	29706	21665	34889	17628	23237	33996	9665	27164	25132	17469	26001	21212	62947	14773	26064	33180	12718	18365	34715	47456	33671	0	19810	50336	23323	31370	15889	23860	14588	51765	25106	46380	14883	16559	46986	20944	27787	32167	13247	15004	0	30125	30466	20681	48066	51560	40360	23909	27347	10830	22701	27240	0	35940	24968	Lipid	0.3	1.4	0.0
26	C30 H42 O9	547.29016	547.291	0.14485149	547.2902	110282	110199	108814	110318	130223	75380	61724	131151	144180	148180	95290	53934	158477	84908	113583	102899	73060	160118	205717	212978	177345	113868	103024	121850	123576	180263	53994	110632	134791	128718	109357	122282	149504	79364	228270	119065	162178	83553	65251	134824	76733	79788	0	0	0	108590	64651	0	110169	96090	112140	107436	106956	0	203751	155944	71650	126347	105631	39532	117635	94629	157218	131847	59772	116354	93659	66179	154791	258238	168734	99577	89097	115294	62191	97568	0	83060	118464	60346	98138	60983	94353	88177	150277	96606	105056	65204	79145	66689	125533	143499	152697	78267	103719	0	110189	131065	92615	139909	151602	150071	56078	147819	76781	88231	119730	0	75319	136694	Lipid	0.3	1.4	0.0
12	C23 H46 O14	547.296	547.2977	0.18224359	547.29614	0	0	0	0	0	0	0	0	0	11813	23232	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4027	0	0	0	0	0	0	3194	0	0	0	0	0	0	0	0	0	0	0	21537	0	0	2025	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2677	0	0	0	0	0	0	0	0	0	0	0	0	0	64253	0	0	0	0	0	Unclassified	0.6086956	2.0	0.0
26	C34 H42 O6	547.3054	547.30615	0.04558341	547.3054	9408	5689	6289	5328	3309	2680	6703	12858	5465	2694	11986	7995	4986	5202	7850	16826	21419	0	5713	8022	0	3900	7931	10846	11354	22937	6005	8949	8397	14100	9912	10554	12565	7640	6303	15432	8869	8544	14666	5497	11545	7364	0	0	0	6081	0	0	9068	15204	8092	7602	5422	0	8507	10833	5780	12858	4485	7744	10618	3841	2003	4291	2994	2639	7198	16790	21926	9783	15090	5418	7239	12508	6853	13265	0	7692	15118	5729	10526	0	9580	8446	9516	0	17739	4206	4547	14401	4948	5815	10100	4401	0	0	9781	10753	6045	16773	16348	15930	7325	10776	0	9987	6498	0	11173	0	Phytochemical	0.1764706	1.2352941	0.0
4	C31 H46 O6 S1	547.3088	547.3097	0.1187414	547.30884	0	0	0	0	0	425	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9503	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	348	0	0	0	0	0	0	0	0	0	0	0	0	0	25622	0	0	0	0	0	0	0	0	0	0	7517	1816	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.19354838	1.483871	0.0
6	C31 H46 O6 S1	547.3088	547.3098	0.0998856	547.30884	0	0	0	0	0	1225	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12464	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50114	0	0	0	0	0	0	0	0	0	0	20646	10535	0	1724	0	0	671	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.19354838	1.483871	0.0
28	C31 H46 O8	547.32654	547.32733	0.09445471	547.3266	16278	14351	17263	16166	20295	10712	28323	17265	24380	8901	14552	5641	21823	12659	14305	12689	11048	14021	32388	19623	15587	14926	9964	11734	30101	19520	21071	23579	24102	18479	16552	17996	29730	13022	17820	26567	26508	17261	13864	16513	6049	11120	0	0	0	13297	2679	0	19407	16866	15921	13452	18343	0	37584	29821	12575	23190	19770	5480	14861	13515	20637	20568	9228	21607	16607	12454	15193	19250	12597	7889	14396	20003	8178	15199	0	10953	23747	10888	10321	9597	21471	16057	30781	19354	30685	6902	13427	13160	23033	28915	23261	12409	6209	0	15580	17681	14157	37193	37938	27402	7599	23356	13101	20236	30196	0	15784	15687	Lipid	0.2580645	1.483871	0.0
24	C31 H46 O8	547.32654	547.3273	0.061479345	547.3266	58998	60230	61422	55806	61931	45093	69281	58741	74280	35731	43603	39714	67491	45951	54886	80888	67324	71052	112635	58740	42855	42717	46526	58995	62346	53656	65257	49222	70479	55017	47656	71300	78749	49140	50605	69515	89316	50790	65394	46612	27654	45680	0	0	0	36725	20156	0	69896	47070	58744	63851	55008	0	110410	79510	47864	87184	59792	24122	75121	29921	75343	72792	39413	63721	55549	79474	36330	52548	49433	38686	43388	57846	46998	56447	0	40296	78662	37257	51058	30534	67021	48948	103067	73162	80645	28815	49894	56717	79061	77885	74406	29452	41464	0	60339	56021	48629	91324	110497	91586	37092	62068	32731	68585	79906	0	58929	69393	Lipid	0.2580645	1.483871	0.0
26	C31 H46 O8	547.32654	547.32733	0.099381365	547.3266	76106	71589	68692	58605	83049	46027	70789	70908	92745	53891	51716	38660	78686	50871	77252	89340	56461	78866	149306	80197	64825	52424	59023	61981	83752	77870	68597	76081	106687	77049	66999	89506	103215	59209	74836	101859	101611	64880	64947	66185	33271	51030	0	0	0	56034	24625	0	70496	58883	68496	64728	70069	0	147689	107418	55649	92686	76206	28311	91361	47450	83144	82702	43933	64703	73062	71727	62934	83584	54930	41802	52932	74144	43451	67157	0	49934	84303	42521	60316	45170	81498	61917	120750	88905	90979	46831	60883	58571	87842	105898	90371	47325	46510	0	71286	74971	60865	108324	122482	110345	47448	84253	49979	65722	101537	0	63466	72083	Lipid	0.2580645	1.483871	0.0
22	C31 H46 O8	547.32654	547.32733	0.09823587	547.3266	24448	23215	26202	18406	20238	13014	30107	17160	29014	9440	13591	14951	20717	19657	24683	35238	35159	21221	34542	15951	14534	12252	20272	19192	23563	13463	28950	12539	29995	23307	21105	26148	32417	20560	9117	27123	31184	28470	40153	7804	8288	14449	0	0	0	12642	5310	0	20519	22072	24763	23237	17655	0	52267	35810	17186	28742	16522	14475	22959	9423	26033	30097	22361	20121	25180	40287	8806	11820	15047	10790	14580	24678	28471	22339	0	16031	34830	10694	28650	8622	29755	16843	49084	27867	41425	14547	22584	31564	29345	30645	23543	8540	12901	0	25232	22357	20452	51679	52491	36717	19055	19416	7172	24067	33527	0	25973	27792	Lipid	0.2580645	1.483871	0.0
20	C31 H50 O4 N2 S1	547.3564	547.3571	0.0901533	547.35645	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	928	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25926	9429	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30425	2334	0	0	0	0	0	Organosulfur	0.12903225	1.6129032	0.06451613
26	C32 H50 O7	547.3629	547.36365	0.054913603	547.363	9124	5955	5622	6949	5817	3272	37811	0	7311	1972	4781	0	4244	9437	7156	14689	18910	0	13196	0	0	0	0	0	12011	0	31389	6621	8217	9183	5645	12726	11141	4610	2015	11520	11759	5425	24748	2253	2906	6843	0	0	0	0	0	0	9143	6833	7896	7085	4658	0	11944	12985	6130	29682	6814	5717	13084	2894	3702	3210	8140	4194	9097	22706	0	0	1891	2487	5471	10344	7421	6529	0	3210	8377	5182	4632	3558	10488	7577	9992	7173	13506	0	5043	12547	9245	8281	4809	2505	0	0	6266	5722	5922	17308	23280	18329	2687	9878	0	10858	8797	0	8216	2800	Lipid	0.21875	1.5625	0.0
28	C32 H50 O7	547.3629	547.36365	0.13175032	547.363	3252	2444	3908	2738	2238	1525	22481	3336	4613	1131	2453	2558	4187	4284	4170	0	7317	0	6259	0	0	1426	0	0	7595	2515	17483	5660	6763	4020	0	4627	8751	3310	0	7762	6193	4446	6639	0	0	3922	0	0	0	0	0	0	3094	0	3581	3312	2773	0	8558	6383	3211	6905	6122	2691	6369	2934	2672	2031	4172	3390	5090	9002	0	1368	1373	0	2198	4854	0	3135	0	1951	4174	3086	1089	2051	7725	4265	8401	5062	9448	0	3039	4771	6513	6196	3141	2489	0	0	3144	4695	3014	10240	15619	9722	1822	3988	3736	4028	5927	0	5003	1327	Lipid	0.21875	1.5625	0.0
26	C23 H17 O15 N1	548.0671	548.06805	0.36226344	548.0673	2151	2350	2160	3300	9175	3082	0	0	10533	1676	0	0	22027	2528	0	0	0	12299	9528	0	0	9684	0	0	0	0	0	0	0	0	0	0	1952	0	0	0	0	0	0	0	0	0	0	0	0	0	13135	0	0	0	2823	2991	0	0	10890	8820	0	0	0	0	0	0	21207	11856	4063	8162	2162	0	0	0	0	0	0	0	0	0	0	0	3726	0	3701	5663	0	0	12792	0	1640	0	3207	0	0	0	0	11260	7031	0	2925	0	5550	8342	6642	0	0	0	7440	0	6473	0	0	19831	Phytochemical	0.65217394	0.73913044	0.04347826
20	C23 H17 O15 N1	548.0671	548.0682	0.4021166	548.0673	5172	0	4282	3860	11548	2768	0	0	16196	0	0	0	29590	2592	0	0	0	10580	3808	0	0	17772	2784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4520	4614	0	0	0	5560	14996	0	0	0	0	0	6006	0	9954	10942	2576	0	0	0	0	2068	16876	8432	6022	10596	0	0	0	0	0	0	0	0	0	0	0	0	0	10138	0	6772	0	0	14720	6154	0	4490	4620	0	0	0	0	29201	14318	0	3544	0	12522	22384	17230	0	0	0	16924	0	9212	0	0	19089	Phytochemical	0.65217394	0.73913044	0.04347826
28	C23 H17 O15 N1	548.0671	548.06793	0.2899928	548.06726	3796	4731	4522	3671	11208	5817	1662	0	10362	2309	0	1468	20485	2185	0	0	0	13577	10574	2289	5475	10390	2753	0	0	0	0	0	0	0	0	0	1280	0	3993	0	1772	1578	0	847	2781	0	0	0	0	5921	12811	0	870	0	5331	3635	6461	0	13282	9307	2067	0	0	0	0	2268	23109	14430	0	12980	3112	0	0	0	893	0	0	0	0	0	0	0	3809	5290	3047	3755	0	0	13282	5282	2982	3332	3353	921	0	919	0	9801	6519	0	4795	4272	4739	9177	10770	0	0	0	8990	1445	6353	0	0	18934	Phytochemical	0.65217394	0.73913044	0.04347826
14	C24 H21 O14 N1	548.10345	548.10455	0.2880102	548.10364	4639	4622	9412	9098	11730	4503	0	0	13354	12528	6844	1629	23635	4368	1167	0	2656	9868	10760	5440	19246	36241	2359	0	0	0	0	0	0	0	0	0	1603	0	20625	0	2399	1533	0	5530	13667	2934	0	0	0	16676	39074	0	0	0	7711	6875	4293	0	13834	15345	4309	0	0	0	0	8062	33201	14976	2517	12785	5652	3122	0	0	4540	0	0	0	0	0	0	925	3657	0	2609	16448	0	1524	18439	6600	3814	5148	3181	3570	0	0	2444	29668	21263	0	3081	6708	10118	14413	12938	0	0	0	21564	1775	11152	0	1854	24823	Phytochemical	0.5833333	0.875	0.041666668
26	C24 H21 O14 N1	548.10345	548.10443	0.12649782	548.1036	3592	5371	5515	5601	10977	6879	0	0	10027	12791	3268	0	26056	3794	0	0	0	13207	9987	8310	11772	15895	0	0	0	0	0	0	0	0	0	0	0	0	9986	0	0	0	0	2485	5691	0	0	0	0	10269	20471	0	0	0	5713	4351	7181	0	17954	6185	0	0	0	0	0	4342	16883	13628	0	7574	4503	0	0	2748	2004	0	0	0	0	0	0	0	4200	7685	3785	11582	0	0	14807	0	2940	0	0	0	0	2250	0	14813	26441	0	5210	0	7049	8984	9601	0	0	0	11722	0	7058	0	0	22710	Phytochemical	0.5833333	0.875	0.041666668
22	C24 H21 O14 N1	548.10345	548.1043	0.23301911	548.10364	9364	7368	5649	7068	20279	7700	1344	0	16107	10961	4659	1731	27073	0	5176	0	0	25423	14474	6705	7917	27880	5550	3631	1256	0	2009	0	0	1120	1288	0	3437	0	13377	0	1708	1931	0	5745	6530	2698	0	0	0	19258	37587	0	0	0	8214	5379	10018	266	17398	17669	6350	0	2281	1808	1504	8331	25563	14567	3395	17605	7609	0	4072	2710	0	0	0	0	0	1558	0	2139	3846	16425	5022	23801	0	2354	20551	8655	3507	5312	3349	0	2679	0	4931	30566	34703	0	7444	8833	11272	20383	16717	1887	1380	0	23231	0	15726	0	1227	29783	Phytochemical	0.5833333	0.875	0.041666668
18	C24 H21 O14 N1	548.10345	548.10443	0.32071334	548.10364	25268	21902	26256	26324	43363	19568	3456	0	53463	35202	18918	4918	97778	12402	11244	4808	5236	56026	53162	37684	54566	96640	11844	7288	0	0	5278	5366	0	2646	3444	0	5632	0	55614	0	10412	6426	4758	23448	33338	19480	570	0	0	62724	106914	0	0	0	26540	23962	30442	0	52276	54004	16250	3036	9880	3648	4070	29920	99103	51338	16356	46380	12270	0	7510	9190	13366	0	0	0	4658	0	0	4390	18762	72558	13928	60558	4358	9186	62486	29856	14494	9096	14490	10744	0	15371	6544	76204	86798	0	22128	24932	53858	50182	64738	6518	3460	6610	81721	7976	40390	0	5048	73812	Phytochemical	0.5833333	0.875	0.041666668
28	C24 H21 O14 N1	548.10345	548.1043	0.24510972	548.10364	3993	3354	5947	6292	9400	5164	1010	0	8349	12485	2128	0	20415	4110	2184	0	0	13790	11244	4654	11749	12831	3015	0	0	0	0	0	0	0	927	0	1020	0	10891	0	1554	0	0	3711	5406	0	0	0	0	12037	18492	0	0	0	4969	4522	6210	0	15685	7898	2311	1330	1589	0	0	4809	17104	9152	3018	10472	3308	0	0	3300	2958	0	0	0	0	0	0	0	3856	6466	4969	8387	0	1752	10079	6439	3152	2115	2232	0	1526	2353	0	12459	19275	0	5332	4786	7971	6714	7197	0	0	0	12454	2116	7915	0	0	19038	Phytochemical	0.5833333	0.875	0.041666668
16	C21 H25 O16 N1	548.12463	548.12555	0.24725486	548.12476	5199	5809	6666	10394	12292	8874	1187	2509	20268	0	2547	3974	37690	2856	3387	2178	2202	25397	16351	0	11681	13424	5414	0	0	0	1178	0	0	0	0	0	2639	2012	4058	0	2321	3128	1576	3431	8076	7750	0	0	0	23113	71933	0	1725	3242	6889	0	10065	0	25707	24171	6346	0	2485	3579	0	8329	29696	16395	7676	13225	10041	1374	0	0	2210	1286	1533	0	2929	1660	0	2320	2784	21159	4542	25836	1239	2756	17693	5978	3961	4790	7176	0	0	4974	0	21255	7108	0	7082	10632	15611	14261	20716	3424	2338	2589	51010	0	13960	0	2252	28992	Phytochemical	0.7619048	1.1904762	0.04761905
26	C25 H25 O13 N1	548.1399	548.14075	0.25810012	548.14	5732	4838	3404	4291	7041	4293	0	0	7379	18733	5825	0	17958	4004	0	0	0	10507	9283	10771	11730	13975	0	0	0	0	0	0	0	0	0	0	0	0	14961	0	1957	0	0	8860	5029	0	0	0	0	14886	25203	0	0	0	5491	7101	0	0	8024	0	0	1762	0	0	0	3880	15116	7948	0	7673	3159	0	5646	7989	5688	0	0	0	0	0	0	0	0	4961	2992	11124	0	3791	7456	0	2565	0	0	0	2490	4285	0	9972	20001	0	4320	5832	5627	4335	0	0	0	0	11686	0	7904	0	0	14388	Phytochemical	0.52	1.0	0.04
16	C25 H25 O13 N1	548.1399	548.14075	0.20241554	548.13995	37065	28691	25112	29487	33192	15992	7359	5856	32776	89929	40521	7942	73381	14721	18107	16798	9386	45640	40016	77538	73033	95592	20557	16502	6350	17605	6831	20704	8645	6455	10317	11186	13382	7960	134302	5918	14127	9084	8229	58352	40921	15480	965	0	0	77675	88703	0	12783	7815	24637	30951	20342	0	57675	31741	14863	12075	13926	8384	10190	41410	61954	38809	13935	34982	15452	5290	31658	30496	30024	10103	7877	6266	6890	6884	0	9392	22852	62310	14431	61295	7707	26147	34201	18887	17156	11438	19337	0	13517	21006	35074	69663	102065	0	27761	30008	28552	27735	27462	12909	6697	20384	56219	0	32515	0	9240	54808	Phytochemical	0.52	1.0	0.04
10	C25 H25 O13 N1	548.1399	548.14087	0.26192296	548.14	5795	6100	6906	4639	5194	1760	970	2461	8540	16867	11377	2712	13605	0	1325	3945	3058	4125	7644	8398	11070	19417	3863	2658	0	2992	0	2976	1026	914	1414	2098	3438	1220	27924	2461	2498	1487	2660	8509	13491	1030	0	0	0	8519	19187	0	0	2658	5759	4497	3969	0	8731	7802	3089	3597	0	2746	0	5735	11302	7133	2063	6330	2389	2285	9325	3486	6143	1471	0	0	1464	1425	0	854	5446	6600	3095	10011	1212	3738	7239	4365	2454	2643	2213	4228	0	0	2889	13691	13845	0	4588	4238	7521	9826	7808	3731	1056	0	0	2899	4499	0	2843	12524	Phytochemical	0.52	1.0	0.04
22	C25 H25 O13 N1	548.1399	548.1407	0.19998786	548.13995	14983	12856	10273	15587	18671	10261	1922	2338	17560	41765	11597	0	32432	5689	6103	3487	1729	32809	18488	32446	32018	36007	6856	5632	7450	8535	2734	5822	1506	1034	2717	0	3437	1567	36628	1272	3399	3803	1815	16423	17365	5223	0	0	0	49138	50045	0	2908	3047	13949	13889	11363	0	29926	17360	5277	3565	5272	3163	3086	21333	35166	19662	4933	15954	10215	2540	12897	15472	11714	3249	0	1617	1376	0	0	3614	6988	19108	6773	37085	3356	13426	26903	17184	7413	4008	6704	1983	3181	7182	5763	29175	43648	0	13509	14163	17021	13335	18522	4112	2535	6746	46572	2008	16232	0	2746	30488	Phytochemical	0.52	1.0	0.04
12	C25 H25 O13 N1	548.1399	548.14087	0.2980578	548.14	281700	269476	261884	280718	279750	185610	179892	227658	333340	449184	153820	192518	538122	85692	203802	182560	230512	381830	384966	380014	454502	740196	305938	247946	99900	18940	113652	0	176816	95888	233064	136124	250004	164818	617548	183346	219196	214272	226142	458364	512100	135702	836	0	0	497424	1730594	0	119826	123526	298004	307188	213454	0	454824	523070	153480	266318	161698	27380	0	269916	594966	339146	127930	478834	215630	286412	0	133586	227696	208120	218518	140910	171212	164000	0	206152	222646	102278	169642	467606	100238	137562	316356	213304	311092	192160	223800	552340	120122	208332	436680	549430	370946	0	262596	334410	327146	359360	314694	273592	187300	260956	865676	200226	276948	0	152850	568602	Phytochemical	0.52	1.0	0.04
18	C25 H25 O13 N1	548.1399	548.14075	0.19790414	548.13995	32484	40362	36633	24321	37775	21135	9198	9404	38014	101176	34612	6988	77313	14863	13040	15423	7105	52456	63117	71459	90434	86620	15732	13237	9963	17389	6568	18797	9959	4365	13919	8390	18320	0	110722	5576	15799	10071	8087	63327	42583	14036	1113	0	0	103158	89125	0	5122	5612	36189	26454	23365	0	68027	43611	16754	9623	13972	6504	16459	40696	69487	42105	14437	43070	24369	9564	22269	31084	29502	6783	7007	4611	6218	5800	0	8276	23854	59318	14133	68837	6714	26729	44228	21522	15474	17662	15283	10993	14093	32249	26625	68738	109532	0	34362	48578	32052	30930	39330	18598	6206	14454	80921	16175	40104	0	8697	56369	Phytochemical	0.52	1.0	0.04
24	C25 H25 O13 N1	548.1399	548.1407	0.20915282	548.13995	7649	5346	4721	7266	12616	5152	1501	0	12175	26588	4274	0	21020	3839	2133	2018	0	18465	12678	13506	18366	22763	3408	1199	3705	5463	0	2242	0	1473	0	0	1250	0	24468	0	2919	2707	1698	10266	9139	1819	0	0	0	27221	28945	0	0	0	6503	6107	6920	0	15159	12667	2182	1707	3063	1145	2886	8796	20411	9806	2587	9132	4991	0	3955	9147	6677	1029	1056	0	0	0	0	1743	5045	12345	3890	20590	1021	4728	10764	6157	3795	2886	2318	0	3544	3305	3053	17955	30612	0	4746	5260	9446	8925	7219	1721	1386	2330	24561	2243	10116	0	1573	20585	Phytochemical	0.52	1.0	0.04
20	C25 H25 O13 N1	548.1399	548.1407	0.20337956	548.13995	27030	21125	16806	23194	28596	29544	5522	7313	43763	69974	22379	6702	70059	17560	11111	10736	6291	47929	37802	66126	57756	60580	17023	15742	12023	9149	6364	15381	8513	5056	4699	6303	12255	5594	82789	6141	12922	5741	6906	35444	22431	8910	1147	0	0	83567	92237	0	5248	8022	24585	24536	19948	271	40876	34395	10793	7672	9844	2602	8780	34469	57736	35831	12394	37070	15084	4569	17322	21070	14842	7694	2746	2573	5548	2389	0	4846	14087	43069	11483	56667	6472	24857	41515	20065	11678	8688	7936	3185	9204	12143	10029	55077	72550	0	22261	24463	31932	23729	29075	6712	3765	12289	75180	4130	31202	0	6495	60085	Phytochemical	0.52	1.0	0.04
8	C20 H30 O13 N1 S1 Na1	548.1408	548.14233	-0.03793148	548.1408	0	4646	4232	3222	4704	2050	0	0	9192	16226	10344	2504	15212	0	1786	2202	0	4055	8036	8370	12160	12400	3600	3288	0	1896	1488	3768	0	1786	0	1946	0	0	22170	0	0	0	0	5740	11696	0	0	0	0	9752	14306	0	0	3328	5686	3926	3704	0	6448	8746	2220	3232	0	2464	0	3418	11918	3976	0	6760	2032	4508	8938	3360	10544	1740	0	0	1956	818	0	0	3492	4762	2224	5608	0	4410	6998	0	1646	1618	3200	3434	0	0	2966	15126	11334	0	8074	2614	4634	11578	7180	3052	0	0	0	0	5800	0	1630	12750	Organosulfur	0.65	1.5	0.05
10	C24 H25 O12 N3	548.1511	548.1521	0.2526918	548.15125	8371	9503	5981	5588	5844	4343	3670	9740	7263	10072	5094	3311	11781	2776	4492	5605	7403	10212	8227	14094	10471	18755	6762	9282	2720	0	3730	0	4348	3738	3382	4300	7370	2856	17392	4171	7575	3400	8339	8586	15439	3605	0	0	0	12482	21364	0	6407	4615	10335	6605	6215	0	10561	6859	2539	4771	3860	5753	0	8024	13968	11252	2553	10671	6325	8517	0	3660	4462	2501	4971	2973	5275	4064	0	3250	8265	0	4170	8402	4234	4260	8456	3882	8122	4140	6169	12297	2784	6728	11569	12164	9257	0	11133	7399	4047	9200	8529	6839	4260	4318	0	6818	5608	0	3660	13976	Phytochemical	0.5	1.0416666	0.125
8	C24 H25 O12 N3	548.1511	548.15216	0.25432414	548.15125	10778	10958	10010	6188	9672	5516	0	3034	10848	13450	8768	4786	15702	2524	3500	8606	7052	11158	7114	12174	12170	23234	7106	7062	1562	1768	1960	0	5180	5744	3914	6060	9250	3720	13816	0	7756	3144	6906	13124	23422	5424	0	0	0	11964	27194	0	9380	4710	5474	7094	5318	0	9282	10372	3090	9040	3430	8210	0	5168	26180	12230	3954	9922	6312	9446	0	2346	0	5720	4134	3242	6286	4280	0	3966	6844	7508	5682	7302	3630	4418	11322	0	9886	5150	5830	14520	0	0	8206	12122	15696	0	13386	10506	7008	15570	11448	6396	4150	0	0	6126	7566	0	2982	19824	Phytochemical	0.5	1.0416666	0.125
14	C22 H29 O15 N1	548.161	548.1619	0.16594383	548.1611	24657	23647	22542	22411	23877	18701	14324	20051	46155	17712	18655	10930	72786	11753	28040	17035	18377	55238	49160	30000	47112	63717	35424	19369	10792	4000	7132	0	16115	17999	15391	15034	21878	9654	32979	15908	16329	19581	11499	17064	26650	24020	0	0	0	107635	200956	0	11526	18011	22201	26156	25908	0	77366	36965	15321	13004	25497	9016	20858	34438	60548	45699	15423	36223	20282	12089	0	12349	8234	15333	16038	15987	10798	15373	0	18175	17226	45231	16850	81947	0	10309	41360	32662	17886	11602	17956	10831	5056	16390	23831	56813	51391	0	25535	35905	29860	26876	34773	25764	15879	23143	196102	16287	35944	0	7834	54719	Phytochemical	0.6818182	1.3181819	0.045454547
22	C26 H29 O12 N1	548.1763	548.17706	0.16468802	548.17633	29789	36210	22257	27672	25726	22397	5700	21428	33759	85106	30354	6721	55813	14319	13073	10841	8270	49724	32624	66381	65572	42678	15660	20076	13796	32795	5614	26457	13107	11837	7469	7480	11139	13402	91257	11921	15445	7824	5956	43700	33516	9799	0	0	0	66931	58032	0	12998	9611	24528	21663	21547	283	33629	28719	11590	11487	14637	3929	13557	36314	47645	34289	11678	31052	15507	4348	34690	51667	42305	12601	8448	8915	8387	6521	0	10072	15371	20926	14523	40644	9883	27034	37326	21893	14270	12991	14058	9179	11149	20791	17139	35329	59142	0	25841	29244	27676	25042	28024	13012	5936	10566	49685	14115	24706	0	10209	55455	Phytochemical	0.46153846	1.1153846	0.038461536
18	C26 H29 O12 N1	548.1763	548.1771	0.15962674	548.17633	367849	380523	308171	331404	301905	182320	144324	272490	367677	1021865	415904	153938	497803	154219	183464	216062	133707	406591	486645	885243	743162	546141	275548	297643	195356	463086	106266	351792	210722	184277	197567	207536	276353	188600	1231252	200873	197904	152422	160474	602063	364228	151258	7617	0	0	651801	470002	0	209647	208859	378554	382314	209278	438	449569	302245	165592	268144	195233	131747	246213	405483	456718	315574	134210	410988	236601	163970	352167	585391	554929	211007	201216	186013	155502	91484	0	180187	273943	277157	226265	452621	173952	360966	361259	236915	232116	164281	163795	152468	219615	337208	253061	400752	647956	0	349358	369024	311640	211011	256464	231505	161088	219197	402775	185799	280063	0	178019	448939	Phytochemical	0.46153846	1.1153846	0.038461536
24	C26 H29 O12 N1	548.1763	548.17706	0.21861899	548.1764	11745	8847	9096	8913	14017	10681	1678	3253	16568	51205	12040	2878	31058	5550	4245	5099	2028	24640	20016	24300	30519	17252	4998	5322	5237	13959	1070	8130	2555	0	3121	0	4569	4040	41729	0	4782	4916	1380	19383	16471	3707	0	0	0	35578	40202	0	2266	4492	14066	10517	6536	0	20604	16382	4113	6246	4254	2968	3201	15519	25427	15708	4457	18248	7314	3420	15998	31319	22686	2463	1512	0	1679	2199	0	0	9272	12578	6951	21446	4496	10681	19411	7709	7476	4168	5037	4622	7055	2372	7892	17737	25895	0	10395	14585	12785	8577	9890	3523	2605	7784	26050	6003	12054	0	3439	31325	Phytochemical	0.46153846	1.1153846	0.038461536
26	C26 H29 O12 N1	548.1763	548.17706	0.1779459	548.17633	5398	3796	8459	3407	8232	7045	0	0	7909	21899	4808	0	24219	3287	0	0	0	7982	8747	12576	17766	8567	0	0	0	8599	0	2736	0	0	0	0	0	2306	21946	0	2839	3355	0	9610	8336	0	0	0	0	18632	20570	0	0	0	5184	5049	5240	0	10129	6860	0	2466	3797	0	0	7936	18481	8807	0	9035	0	0	8682	18868	17098	0	0	0	0	0	0	0	3944	0	0	12264	0	5828	5395	0	2090	0	0	0	2851	4588	0	6595	15055	0	7466	6963	6555	8634	6348	0	0	0	11121	0	8887	0	0	16937	Phytochemical	0.46153846	1.1153846	0.038461536
8	C25 H29 O11 N3	548.1875	548.1885	0.1833707	548.18756	19707	17328	11477	11264	8740	5098	9050	16960	10926	18586	7239	9188	14355	2032	8236	18529	14262	8693	11722	15861	17267	23516	12239	22835	6143	1138	8136	2617	9068	12492	9568	12244	13871	10102	18614	11259	14117	8482	20042	13324	20246	6222	0	0	0	19009	20187	0	14351	11534	13171	13742	6960	0	11592	7849	5684	16545	11592	14827	14954	11775	13718	11271	4953	11318	6566	21085	0	3737	6264	13686	9927	10446	8440	10827	0	8096	13139	4913	9482	8065	8770	8661	8318	5195	10657	9262	9186	27277	13121	12634	30428	11718	20893	0	15194	13677	5444	10658	9209	16076	8482	17211	13001	13551	7781	0	11397	14557	Phytochemical	0.44	1.16	0.12
12	C23 H33 O14 N1	548.1974	548.19836	0.17320374	548.19745	12905	12318	14086	13318	8967	8308	14752	25492	17094	14892	13166	10805	20627	5600	18726	14091	12843	19076	21717	27745	25266	19946	21945	19852	11780	4492	6708	0	21050	13734	15954	11130	17525	11390	26074	15332	15237	12727	14622	11611	15971	10437	0	0	0	38634	36527	0	13120	17277	10628	10463	9799	0	23446	14022	7751	12418	17107	0	0	17719	21749	15559	5520	13425	9875	13123	0	5323	5961	15602	13943	23613	8978	11772	0	17248	13890	0	13830	26437	10483	10107	16157	10008	12391	6541	8397	9042	7220	10296	22907	14770	18672	0	13012	20783	15836	10778	14076	21516	13320	16737	60612	14259	14794	0	11068	16431	Unclassified	0.6086956	1.4347826	0.04347826
16	C23 H33 O14 N1	548.1974	548.19824	0.08688226	548.19745	42587	43620	43748	46752	30882	32864	24783	75533	60407	55806	20344	24212	79580	15627	61002	40955	18033	73497	70413	84901	64852	80616	56711	52460	44652	10923	21411	17571	58156	45027	45754	49632	51837	41128	79830	57504	52317	38672	16169	55191	23177	37222	851	0	0	140889	85253	0	39701	54250	47787	46737	34230	0	117964	43426	29155	38706	64953	12828	71821	49590	63976	52676	19727	36744	33516	12837	15521	25034	16927	46774	43224	59855	22105	35573	0	37716	32711	42585	31216	93074	32900	30374	42779	37190	27236	24580	36171	0	20068	44809	56578	48178	72802	0	43595	58888	34775	29346	26587	46966	30976	47509	121345	39727	38574	0	29597	64183	Unclassified	0.6086956	1.4347826	0.04347826
14	C23 H33 O14 N1	548.1974	548.19824	0.10563754	548.19745	27365	27874	39322	27696	19165	21269	19288	50768	38367	35995	22279	15869	47252	11107	48314	36640	23718	51841	48326	52783	50505	40329	44124	44960	29721	9300	16707	0	45549	44209	29228	25163	40066	22897	50576	35074	28726	25895	17246	33644	17416	22557	0	0	0	104837	89025	0	25177	45620	31918	30956	18077	0	65564	29525	16926	26491	42692	11206	38769	36743	39275	34250	15148	32405	21877	13696	0	17000	12227	27280	31461	45385	24207	27133	0	26306	30189	41734	26767	55545	19604	18647	33049	23359	17830	19952	19693	15465	15489	20099	40276	36565	49184	0	34852	49113	21935	16416	27240	38452	23235	52770	107689	24950	27854	0	21251	38482	Unclassified	0.6086956	1.4347826	0.04347826
22	C27 H33 O11 N1	548.21265	548.21344	0.13807553	548.2127	437542	471318	415490	408671	421215	328968	214586	442850	470138	1733157	661313	173903	607963	182039	296323	669768	150677	576322	518667	997977	868496	503252	409284	393611	356720	834880	164909	495218	495974	437048	279349	380657	296378	280477	2358194	383094	376270	236466	199316	652741	490280	212434	0	0	0	605563	445925	0	453108	421665	398233	462619	306837	0	704915	325186	190780	481685	338561	152713	520198	454677	594658	459328	161823	408365	231825	207636	763281	1320764	1114630	414393	266524	337273	240412	321233	0	256923	383175	260117	348350	335007	222004	442880	409553	247302	372509	212915	285917	313435	343006	442381	545322	295102	404465	0	340142	447862	316279	385754	329016	347183	167679	416302	353563	299663	341233	0	227150	620244	Phytochemical	0.4074074	1.2222222	0.037037037
26	C27 H33 O11 N1	548.21265	548.2134	0.13373788	548.2127	10413	10105	8212	9839	15043	9266	0	7209	13308	29545	10344	3678	22507	5955	0	0	0	18200	9619	27878	29285	13181	6065	6723	0	19210	0	8687	0	0	3523	0	5434	5143	32618	0	7089	2782	4479	12898	9869	0	0	0	0	20260	20398	0	5859	0	9920	9026	6337	0	16558	12134	4464	4787	4418	0	7624	8113	14806	8862	3411	12665	7307	3041	21666	36041	37649	8549	0	0	0	3902	0	3983	7203	6697	7180	8364	3470	8081	13840	0	5247	4552	4522	3633	7323	2322	6933	8008	17383	0	9567	8243	6799	8794	6914	5635	0	0	9528	3684	8311	0	4284	18946	Phytochemical	0.4074074	1.2222222	0.037037037
10	C27 H33 O11 N1	548.21265	548.2136	0.23465271	548.21277	12207	12813	8779	9092	5077	4051	3642	11156	5325	30910	11342	3107	6786	2777	5902	10534	4856	6022	10290	24026	28888	19587	6538	11375	4091	11082	6524	6558	10884	5517	6073	7889	5994	6049	33020	6311	7957	5011	5010	16364	14805	5221	0	0	0	13138	13584	0	10693	8676	6895	9103	5146	0	7502	4782	2577	11070	5696	6469	0	10199	5870	5799	3261	7929	5816	5993	6819	11644	15535	6320	6135	6506	4572	4464	0	3803	7861	8523	6162	6129	4912	10309	3678	2994	8789	5034	4859	10163	4314	8296	12036	11227	18685	0	8542	12504	6047	6612	4204	8416	2695	10369	0	6975	4045	0	5800	8896	Phytochemical	0.4074074	1.2222222	0.037037037
14	C27 H33 O11 N1	548.21265	548.21356	0.16671383	548.2127	36666	39571	31883	34846	17695	15156	18070	38291	21257	70746	36399	19413	19455	11714	24426	33949	26430	20272	22571	59728	67659	59325	22698	43270	20521	38732	16571	28065	24029	30933	26257	36550	26553	21074	91813	25488	25136	23335	26840	49956	51290	16942	0	0	0	41658	41464	0	30251	30530	35424	28086	16374	0	28578	17346	13146	36786	25603	20071	32475	32685	25981	23711	11819	22015	14692	22924	40337	50327	47927	25946	22001	27978	20146	26535	0	20708	21870	24367	23531	27066	25199	32401	20655	12952	25813	15879	17646	38564	33288	30864	41188	32628	38499	0	34993	31909	13111	16279	16353	34466	16498	51360	32889	31559	12130	0	28345	24076	Phytochemical	0.4074074	1.2222222	0.037037037
24	C27 H33 O11 N1	548.21265	548.2134	0.1315903	548.2127	25358	21604	21463	20536	22778	18502	4250	12299	28758	63420	29442	6889	43184	16692	10444	14131	5971	35843	26573	51399	55376	21024	18103	18800	9238	46201	3585	19572	10561	9921	9194	8300	15165	13143	71372	10328	20534	8131	5621	40568	23182	8694	0	0	0	42253	31506	0	15213	8634	25133	15850	16240	0	31030	23044	8875	11206	11702	5994	14378	24640	32698	24353	8891	32439	11879	7490	48680	72712	69864	16700	11603	7724	8500	8412	0	8498	17410	11985	15954	24778	8616	21396	31020	12427	17034	12094	11088	7367	16878	17137	23462	18949	33617	0	18552	24378	18009	22643	25968	12253	7905	18258	31410	13934	21090	0	9739	36041	Phytochemical	0.4074074	1.2222222	0.037037037
12	C27 H33 O11 N1	548.21265	548.2136	0.23883587	548.21277	14584	17911	17880	15801	10474	6179	11879	20647	8526	37985	23934	9123	11620	5193	10131	18001	16254	12025	14531	42174	35635	28853	10083	17340	12806	18674	6314	17393	13109	11206	11815	14230	20779	9383	67208	12669	18694	13130	13179	28226	34623	7454	0	0	0	23112	22129	0	15407	12981	20934	17992	7196	0	14287	9210	6461	14799	13183	10469	0	22481	13550	15525	4866	11566	6558	14069	0	26266	20833	11554	10279	13331	11707	8209	0	9346	13515	0	10538	13193	12726	17603	6478	5395	14884	6570	7998	26976	12631	16134	23657	20295	20533	0	17836	22734	8267	7541	9402	13046	9777	18854	0	13605	5735	0	11212	9254	Phytochemical	0.4074074	1.2222222	0.037037037
10	C26 H33 O10 N3	548.2239	548.22485	0.19015762	548.224	14155	14431	19835	17750	5111	6448	16351	21279	7269	12177	8070	10336	7177	4907	15142	19315	11367	7551	9384	14904	14841	29907	15964	29380	23139	3397	10555	7408	19428	15090	15853	19691	23217	13346	22729	17930	22416	15044	12385	20042	13437	9386	0	0	0	20323	14230	0	21165	18425	17642	17084	8834	0	12230	5966	6324	19496	14517	9771	23015	10972	4566	8759	5995	10068	8734	20430	0	5161	4888	19232	13663	14845	12388	17320	0	12757	20696	10407	13953	12292	15855	11785	5122	6706	17060	9658	10209	26926	23319	25842	48216	8793	16320	0	15136	15843	6377	9332	5634	24196	11817	21522	0	23276	5562	0	19723	8887	Phytochemical	0.3846154	1.2692307	0.115384616
8	C26 H33 O10 N3	548.2239	548.2249	0.20859873	548.224	11649	9452	10591	12355	4395	6272	9676	16733	4483	8200	3574	7435	6933	2295	11146	14726	6443	7037	8840	13529	11799	22650	10796	19456	11138	1430	10215	3903	12593	9734	10444	15096	12733	10534	16926	11499	14891	8619	10530	10911	9914	6039	0	0	0	9956	10207	0	13047	11579	10785	11848	4681	0	8417	4815	3609	15805	6800	5363	8199	7149	5114	6360	3276	4264	5168	9400	0	2863	4122	10953	7443	8760	5426	10260	0	6087	13515	7447	8101	6839	9500	7372	4202	4074	10669	6130	6204	21356	15748	16460	34631	7757	15164	0	11093	9642	4967	4306	4943	14009	7050	16243	0	11954	3040	0	10973	5490	Phytochemical	0.3846154	1.2692307	0.115384616
24	C29 H33 O4 N5 S1	548.2326	548.2329	-0.025984004	548.2326	5806	3402	5050	6876	3678	4004	0	3261	3139	8300	8594	0	2508	1320	0	0	0	3171	4687	10179	9698	9647	0	3844	4774	24161	0	10892	1653	0	3219	0	4192	4967	6331	5330	4150	3426	3544	6261	10472	2181	0	0	0	2041	5517	0	0	1994	5070	6403	2131	0	2687	3234	1081	1818	4331	2181	5354	7209	1561	1978	0	3215	5697	0	23082	24425	26458	2970	0	0	0	0	0	2645	4220	0	2987	4530	3552	11649	3919	0	0	2703	2193	3792	11373	7028	4321	6544	7986	0	2531	3186	1390	2851	0	0	1387	7867	1658	5944	5297	0	1593	4082	Peptide	0.13793103	1.137931	0.1724138
16	C24 H37 O13 N1	548.23376	548.2346	0.04724786	548.23376	21337	24261	26819	25910	12162	16932	16972	39029	29368	33336	10982	13457	31751	9118	40679	27545	12266	28558	32399	36557	23195	24908	35905	39918	37177	7219	13013	8510	35993	30144	33539	28498	31105	26207	37311	36939	37507	25535	10566	20075	8161	17324	633	0	0	36313	15525	0	32363	29643	25165	23691	19682	0	43223	21091	12507	27396	40062	7193	48988	17513	24900	26960	10107	24338	16809	10660	4131	10954	5573	28247	28668	45737	21636	22183	0	24210	21741	12044	19098	20621	25406	11960	18612	16527	19943	10227	16898	0	21702	30738	43903	10355	17852	0	25612	27468	12183	13978	20830	30115	20773	31297	17750	19426	17201	0	20305	31241	Lipid	0.5416667	1.5416666	0.041666668
18	C24 H37 O13 N1	548.23376	548.23456	0.019018022	548.23376	32755	24669	36185	26469	18516	20737	19113	48449	40396	41789	13171	16768	62770	14152	58355	25575	12030	49389	53031	45979	32630	36399	47082	39133	51418	6301	11526	7739	53531	35683	39422	30522	48261	32559	62660	43951	44711	31897	7578	28371	7186	22616	0	0	0	56088	10792	0	34520	35818	25279	28053	22422	0	90055	35616	16984	34435	46950	5910	36501	24346	41953	33708	12671	33992	25171	8771	7134	20452	2156	34204	30767	44749	12112	29570	0	33436	19177	13365	23459	24234	25521	11848	19258	23652	25162	17459	18352	12987	22042	42522	58784	12683	27810	0	30928	35747	19119	13307	21854	33377	21192	31655	19977	24141	20648	0	23715	38243	Lipid	0.5416667	1.5416666	0.041666668
14	C24 H37 O13 N1	548.23376	548.2346	0.11899995	548.2338	12209	11858	10836	8791	5694	9471	8267	25128	9957	9517	5642	9299	16156	3683	21538	18174	9344	12774	17545	16426	11482	20527	23669	22937	23322	3201	12798	0	23951	20323	22249	12985	21263	11569	18066	22429	17739	16731	10042	10832	4799	9902	0	0	0	18609	10544	0	11759	20689	10525	10958	7774	0	24164	8216	7511	12945	16676	6818	0	8802	11412	16550	5273	9293	11077	8703	0	8193	4663	17372	15345	22661	11156	12582	0	11673	13591	0	11089	11356	12929	5866	10968	9929	11656	7488	6848	6151	18285	13864	28237	7891	11197	0	14464	17074	6129	10869	9811	21739	10135	19920	0	12011	8494	0	10157	12898	Lipid	0.5416667	1.5416666	0.041666668
22	C28 H37 O10 N1	548.249	548.2498	0.13196263	548.2491	230817	225331	223052	227603	215692	164373	124448	231723	421256	736901	279606	122088	250065	143772	189307	230713	124953	286885	295921	808560	461664	224472	213215	249946	178958	429208	136989	254956	213931	177375	214652	243683	407990	199343	831567	211404	255770	155578	125146	292955	181832	129817	0	0	0	260417	166835	0	199342	189875	231927	242898	185745	259	497461	203455	128986	224688	201230	103727	236896	204935	291331	341225	108040	227790	164335	121633	340701	1045754	767706	191182	169903	187122	109928	180071	0	162005	340694	105981	312974	135241	165449	191624	267802	147929	208094	119774	152728	159403	217040	281057	297397	137653	222296	0	226932	229217	188217	193388	197351	224717	134234	241885	145738	189045	192873	0	150045	291333	Lipid	0.35714287	1.3214285	0.035714287
26	C28 H37 O10 N1	548.249	548.2498	0.13150746	548.2491	37756	29255	28548	26814	37983	18168	8736	26493	37872	66637	29331	12451	66605	18123	21540	30931	10117	39511	51967	65784	72362	26182	24161	30177	16373	74351	8647	29308	21739	13532	21495	13415	24430	18999	75798	21258	31238	15059	16746	45821	31880	9339	0	0	0	38061	24242	0	25892	23934	33352	25826	26941	0	48401	42325	15251	25767	18900	6179	27544	24360	48456	34179	9724	33986	22618	10913	68586	114514	109867	26576	21085	17428	8724	18149	0	15695	27972	6146	27485	18124	16084	25054	44057	15030	23410	14277	20209	13851	28111	28165	36917	16702	30292	0	31117	34809	23125	35787	36660	25924	14996	26352	10082	18273	33130	0	16085	46144	Lipid	0.35714287	1.3214285	0.035714287
18	C28 H37 O10 N1	548.249	548.2498	0.096400574	548.2491	75832	67449	64082	70038	44301	33361	41584	80876	46035	99068	52549	38867	58472	33605	54014	84604	45321	55217	74502	127198	109725	66922	58759	95870	52302	121289	43765	63483	78748	70324	65489	70601	80680	63400	91355	84320	77779	43324	59027	92281	63357	40987	1550	0	0	65939	59629	0	64846	61854	61889	71992	41508	0	70302	42513	29031	71183	55484	41280	73374	48650	49803	35613	28012	53149	43595	56690	94883	123210	136504	66051	57473	64577	57858	72237	0	39070	66849	40906	52654	37874	53681	60416	53425	41488	57880	44455	38166	64092	77516	74886	111756	35133	70934	0	74007	68334	39166	34360	40725	78324	37813	83373	39059	72332	40079	0	44790	53710	Lipid	0.35714287	1.3214285	0.035714287
28	C28 H37 O10 N1	548.249	548.2498	0.15682359	548.2491	6716	6011	5100	4234	7064	3940	2277	4697	7576	12277	6299	2017	12259	4001	2518	4581	3482	5881	8209	13023	15050	3888	3807	5906	2969	23821	1979	6924	2949	3385	4734	2573	4112	4548	16396	2922	6496	2536	3461	8752	8738	2614	0	0	0	5356	7140	0	4488	4890	5231	4301	6471	0	8362	5963	1252	4051	1867	0	7473	3925	7851	6383	2064	8919	3859	2572	22936	32915	32497	4632	2773	2741	2574	3076	0	1991	5142	0	4734	2967	0	5685	7102	3239	3405	2987	1616	3778	4536	5213	4575	1611	4009	0	6379	4440	3866	4796	7042	4744	2143	3553	0	3810	3483	0	1408	8492	Lipid	0.35714287	1.3214285	0.035714287
24	C28 H37 O10 N1	548.249	548.24976	0.115635276	548.2491	140152	130614	130064	139813	148132	115424	56465	118889	157494	291233	139553	58084	214082	85825	98883	108786	57570	161949	205924	518820	284852	125212	122843	134121	82983	255579	40367	122886	114132	88988	97971	92120	137307	92216	595544	110553	162539	79355	54288	204661	117350	77122	0	0	0	155625	91331	0	120045	97323	131680	128271	100086	0	203293	132392	66645	115809	104254	44890	133522	111341	200233	153149	48672	153558	88264	67900	213762	376827	441051	108442	101066	91564	55204	81390	0	81370	132862	55577	100313	89408	80598	123587	149000	86887	95174	69937	81106	71070	126425	146972	153704	69211	126233	0	132989	133972	112010	110820	128870	112541	65042	137881	84409	104229	123133	0	64067	186037	Lipid	0.35714287	1.3214285	0.035714287
8	C22 H37 O11 N5	548.2562	548.25726	0.5478666	548.25653	1364	1801	1302	1890	0	672	0	0	0	2084	2193	0	0	0	0	0	0	0	0	0	0	1652	0	0	0	0	906	35166	0	0	0	0	0	0	0	962	982	0	0	0	0	0	0	0	0	0	0	0	1043	0	2115	1853	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55086	0	0	0	0	0	0	0	0	0	0	146587	48283	0	18122	4375	0	0	1466	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5	1.6818181	0.22727273
2	C22 H37 O11 N5	548.2562	548.2572	0.3972292	548.2565	0	732	0	568	0	0	0	613	0	0	0	400	0	639	703	0	847	574	0	0	0	844	823	864	462	0	0	4933	1047	0	716	1146	1369	1079	0	0	1253	1057	1916	0	0	0	0	0	0	0	0	0	0	0	1099	583	0	0	461	0	0	1191	0	0	0	0	0	0	0	907	0	963	0	0	0	1399	967	0	0	446	0	773	987	24267	878	0	0	0	0	0	705	545	849	2148	4568	2348	2890	2764	0	0	1284	947	0	0	0	0	919	0	0	989	413	0	380	556	Peptide	0.5	1.6818181	0.22727273
4	C22 H37 O11 N5	548.2562	548.2573	0.35627687	548.2564	1813	1389	1237	1670	0	3749	0	0	0	0	3232	0	369	0	280	0	0	254	0	0	0	0	0	393	736	0	0	16187	0	0	0	0	0	0	0	0	592	312	0	0	0	0	0	0	0	0	0	0	0	0	852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	586	0	0	0	422	0	103409	0	0	0	0	0	0	0	0	436	0	86112	27736	0	12991	3591	0	1347	1180	0	0	0	0	0	0	0	634	0	0	0	289	Peptide	0.5	1.6818181	0.22727273
8	C26 H37 O8 N5	548.2715	548.27295	0.40012795	548.2717	1254	0	0	0	0	1526	725	0	0	0	0	955	0	0	861	0	0	0	0	0	0	0	0	0	812	0	0	5725	1243	0	1369	1243	1495	902	0	1594	1226	0	1422	0	0	0	0	0	0	0	0	0	1077	1316	0	0	0	0	0	0	0	0	0	0	0	1029	0	0	0	896	0	1486	0	0	0	0	772	1308	0	1115	0	0	951	39427	0	0	0	0	0	0	1146	0	0	1187	31989	0	1877	2059	0	0	1815	2080	1004	0	0	1214	881	0	0	0	0	0	1679	0	Peptide	0.30769232	1.4230769	0.1923077
12	C26 H37 O8 N5	548.2715	548.2722	0.23186637	548.2716	0	0	2294	0	0	0	0	1503	0	0	0	1455	0	0	1010	0	2701	0	0	0	0	0	1783	2591	2684	0	0	19866	1827	0	0	1287	3709	1772	1810	0	1415	1316	0	0	0	0	0	0	0	0	0	0	2582	0	4711	2028	0	0	0	1034	0	1883	0	0	0	0	0	0	805	0	0	0	0	0	0	1470	2286	2531	1654	0	0	1116	0	189148	0	0	1220	0	0	1346	1611	0	1337	0	145782	50542	4400	11892	1148	0	0	0	0	0	0	2654	2180	0	0	1390	0	0	0	0	Peptide	0.30769232	1.4230769	0.1923077
14	C29 H41 O9 N1	548.2854	548.2864	0.3708362	548.2856	13149	10791	11658	14160	6714	0	13686	9786	0	12717	0	0	0	0	8151	15375	17991	4698	7455	29967	12651	0	7290	22902	11364	7287	10005	0	24687	16635	15681	0	22770	13920	18948	10368	14424	7095	13002	10644	0	5832	0	0	3350	0	11499	0	6804	14997	5655	11304	11067	0	0	0	4806	24303	0	0	0	0	0	0	0	6273	7389	7272	0	14205	8964	6459	10185	14718	10011	12693	0	13836	10242	0	5220	0	7389	6537	4785	0	8607	0	6465	19041	20100	6468	21441	15711	11205	0	6843	7569	7080	0	4611	12669	7095	7731	0	8154	4029	0	9144	0	Lipid	0.31034482	1.4137931	0.03448276
18	C29 H41 O9 N1	548.2854	548.28625	0.12723686	548.28546	26981	18333	20951	19243	16753	9548	19757	22973	7035	19542	18614	15070	12077	10987	13503	33929	22053	7785	22323	30608	29358	19298	20188	27852	17874	34244	14684	12111	26123	23264	16043	28934	24872	14590	13645	28125	15706	14706	32888	11484	18403	18065	495	0	0	14711	14784	0	28594	21935	17177	23098	14101	0	25177	14286	10393	20593	11989	13537	29184	8186	7243	11749	10281	10450	13728	31347	26966	20957	33150	16743	15984	22078	25002	31357	0	14937	22000	10598	18194	5700	18348	11978	17886	13218	21052	11577	16417	31952	26255	22547	30981	9444	16229	0	17859	20471	12069	10431	18266	29474	12910	27165	8381	19929	16046	0	17404	9614	Lipid	0.31034482	1.4137931	0.03448276
28	C29 H41 O9 N1	548.2854	548.2862	0.124182075	548.28546	6916	5456	5871	8316	13408	6280	3493	7602	9513	13474	7865	2076	12326	4263	2983	6488	4485	7656	11874	16762	12678	5357	4084	7421	2414	35946	4382	9868	4282	4966	3157	5089	4956	4375	14882	6277	7458	3791	6401	9900	9620	4012	0	0	0	6090	7835	0	6326	4885	6692	7624	8449	0	13146	8380	2714	5318	3634	2573	6180	3769	11207	5728	2983	10117	4940	4872	31944	36178	43822	5490	3711	3740	2995	2816	0	2661	8148	3705	5424	4358	3499	7975	12133	5137	10271	4596	3470	6533	8858	7497	7280	3882	3820	0	5482	6468	7305	16457	12621	6052	1731	6829	4010	5208	10232	0	3342	9651	Lipid	0.31034482	1.4137931	0.03448276
26	C29 H41 O9 N1	548.2854	548.28625	0.11567449	548.28546	36319	39433	44025	33331	57054	25934	12665	41181	45348	54019	46152	18333	64578	26378	29004	27133	20489	48169	63546	82441	81240	32588	31527	39655	32205	111508	11045	43489	39611	30570	28742	32843	38541	35410	75201	36248	40089	21271	22578	54131	42288	28443	0	0	0	41668	23623	0	28373	27290	38018	28146	37087	0	56214	50485	21111	32773	28643	14581	47750	31226	54090	38279	14543	41572	28823	16877	113053	138579	124267	35159	33770	28915	22805	21987	0	24515	46035	22273	28673	23528	20733	38996	64011	32343	33030	24435	22752	25795	36341	39711	53162	20294	31474	0	41004	42500	27797	64550	74114	46218	17729	42375	22740	28943	36815	0	20244	45145	Lipid	0.31034482	1.4137931	0.03448276
8	C23 H41 O10 N5	548.2926	548.2937	0.34176582	548.2928	1161	1479	1518	1872	0	3193	0	0	0	0	2598	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	31157	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1609	1019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	186378	0	0	0	0	0	0	0	0	0	0	203610	69760	0	21895	1891	0	0	1528	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4347826	1.7826087	0.2173913
6	C23 H41 O10 N5	548.2926	548.2938	0.2875449	548.2928	1939	2741	2043	1226	0	5462	0	0	0	0	1484	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26405	0	0	0	0	0	0	0	0	0	0	0	0	0	516	0	0	0	0	0	0	0	0	797	1459	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	177753	0	0	0	0	0	0	0	0	0	0	164807	49967	0	16693	1193	0	1345	750	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4347826	1.7826087	0.2173913
10	C27 H41 O7 N5	548.30786	548.308	0.4123904	548.3081	0	0	1131	0	0	0	0	0	0	0	0	0	0	1205	0	0	0	0	0	0	0	0	0	0	0	0	0	5798	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	79827	0	0	0	0	0	0	0	0	0	0	69389	16958	0	4331	0	0	0	1062	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.25925925	1.5185186	0.18518518
22	C30 H45 O8 N1	548.3218	548.3226	0.10512069	548.32184	31244	27504	25947	25688	39009	23715	20039	28144	25025	19205	21231	21088	21382	16219	27218	43334	35636	21018	42335	35408	30772	13837	27322	30869	22010	51211	20849	19971	29546	27772	23224	33835	30938	21789	14841	25666	31180	22924	35314	17098	23937	22769	0	0	0	17234	17102	0	28133	26748	30104	27909	28540	0	39096	34688	15076	25933	17290	22568	33112	12498	25333	28205	13631	22683	20481	44178	36990	48869	44467	18804	23123	30662	33238	26996	0	22237	34728	14570	23008	9657	0	17344	44576	25638	30735	21625	22212	38467	28288	23349	29704	11162	20059	0	25582	27688	26077	33922	40498	42421	19089	35055	12149	31768	41261	0	21835	22568	Lipid	0.26666668	1.5	0.03333333
20	C30 H45 O8 N1	548.3218	548.32263	0.19892073	548.3219	4768	9420	7323	5519	8206	7319	7366	7773	4318	3746	4274	10310	4798	4842	8696	10892	13862	4984	8788	6769	4520	1531	4549	6596	8363	13246	10907	4570	8420	8447	6345	8141	9511	3809	4503	10894	9805	7608	16530	3341	5149	5311	521	0	0	2762	4249	0	10361	8037	7138	4421	8372	0	6224	6193	4786	7723	4482	11724	10710	1029	2562	4612	4715	4926	7145	21711	5007	4930	13990	6325	4209	8072	18610	10076	0	4404	7842	3700	5239	2389	6572	0	8799	5073	8355	3972	4636	12975	6880	3985	6145	2092	1969	0	8113	3670	6380	7531	9568	7445	4720	8518	2186	5114	9754	0	5966	3104	Lipid	0.26666668	1.5	0.03333333
26	C30 H45 O8 N1	548.3218	548.32263	0.08949838	548.32184	41552	41701	49358	39942	79818	34663	32119	48587	58148	43446	47077	21912	64672	30560	48117	57476	36599	51679	73326	73398	66573	27747	40585	50598	47074	102461	23942	51369	60038	47593	42663	41207	58201	38854	53429	56010	60462	32723	34147	51695	42448	36729	0	0	0	50214	33974	0	47299	43670	43815	44372	59760	0	78348	65268	34982	45216	37019	25199	53402	30994	52579	51413	23320	51964	41635	28910	99831	93231	89195	35456	35730	47849	30641	40509	0	33322	50816	35286	39206	22319	35089	45594	81590	52459	54608	28467	34261	31543	38215	45234	52170	22170	28426	0	40573	49980	38470	68587	81049	71241	25088	63509	29896	39825	79258	0	36094	48346	Lipid	0.26666668	1.5	0.03333333
28	C30 H45 O8 N1	548.3218	548.3226	0.11263347	548.32184	7092	6799	8823	8398	18461	4548	6503	7633	10683	6553	6653	3610	19928	4969	4753	5559	6206	6354	12170	10940	9899	4454	5386	7576	5228	26487	4360	11347	9970	7312	5549	6543	11442	6503	9746	7454	7205	5432	6163	9261	6509	3873	0	0	0	6483	5426	0	6586	7403	8421	7379	8817	0	13954	17964	4642	5572	6000	3858	6707	5206	7775	10014	4595	14637	6655	7254	19297	18271	20772	4100	3741	5723	3210	5278	0	3880	11705	4357	6810	6475	7317	9869	21996	10672	11181	4438	5403	8138	6570	7139	6506	4070	2163	0	8883	8726	7861	24450	32906	11154	3192	7863	3413	8622	17121	0	4571	8597	Lipid	0.26666668	1.5	0.03333333
12	C23 H49 O13 N1	548.32764	548.3293	0.18780345	548.32776	0	0	0	1380	0	0	0	0	0	2734	10094	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4527	1482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1637	17221	0	0	2185	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	52357	0	0	0	0	0	Lipid	0.5652174	2.1304348	0.04347826
14	C23 H49 O13 N1	548.32764	548.3286	0.23219678	548.3278	91157	91028	88527	94676	14472	21381	59003	11903	16211	86835	390511	6120	15834	56636	9515	11392	10166	6366	7001	47900	14612	32214	10623	21653	10816	11398	144831	665402	8758	10492	6553	7293	7920	5499	14296	11271	4356	22820	6350	84875	33999	15214	106853	5872	7020	142591	52428	11125	5897	11164	93283	85590	7442	11142	8530	5216	15426	25037	1760367	33434	589074	526980	87582	6797	16689	43271	51849	8518	190162	97480	56807	9806	2273	6994	4064	9317	13234	5491	4814	397556	6781	20246	18124	9255	7470	18118	4418	10432	8818	10501	58693	48521	32769	111108	38219	7252	84333	105866	11727	3451	10144	11025	5611	219705	6697423	5117	13665	11508	5884	20720	Lipid	0.5652174	2.1304348	0.04347826
18	C31 H46 O4 N3 Na1	548.3459	548.34674	0.40367416	548.34607	5433	5023	8822	5298	0	0	0	42632	1332	0	0	0	2036	2455	0	11796	0	0	0	23321	0	0	0	2161	0	0	2571	2100	6297	4887	5508	15759	0	4270	6512	3336	0	0	0	12060	0	3331	2590	0	1079	14291	0	0	25644	10743	4757	9697	1417	496	0	3976	7400	20638	53738	19491	10335	1176	3397	29273	0	4433	0	0	0	16267	0	17579	15862	17124	15674	0	0	0	1690	1929	1230	1996	729514	2097	0	3950	0	996	0	0	40762	2248	0	2350	7695	3385	10208	9300	22182	0	0	0	0	162387	0	0	0	0	0	0	Lipid	0.12903225	1.483871	0.09677419
12	C32 H50 O1 N3 S1 Na1	548.3645	548.3655	-0.20283982	548.3644	0	0	1893	0	0	0	2884	1740	0	0	3935	0	0	0	0	0	2746	0	0	0	0	0	0	2440	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1784	0	7558	0	0	0	0	0	0	0	0	0	1499	0	0	0	0	0	0	1402	5963	10938	0	0	0	0	0	0	0	0	39165	0	0	0	0	0	0	0	0	0	0	28464	0	0	0	0	0	0	0	0	0	0	0	0	0	7546	0	0	2301	0	2005	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.03125	1.5625	0.09375
24	C23 H16 O16	549.0511	549.0518	0.32967594	549.0513	0	5594	2158	6098	13566	3998	0	0	11660	0	0	0	30380	3616	0	0	0	12152	5308	0	0	5241	3062	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2908	3102	0	0	0	1804	3262	3648	0	6236	13230	2190	0	0	0	0	0	23756	11688	4274	6484	0	0	0	0	0	0	0	0	0	0	0	0	4768	3938	2402	4126	0	0	15206	5958	2496	3274	1976	0	0	0	0	8974	0	0	2858	0	6260	14390	12812	0	0	0	4758	0	8732	0	0	19744	Phytochemical	0.6956522	0.6956522	0.0
14	C24 H20 O15	549.0875	549.0885	0.266411	549.08765	10716	38956	33192	44376	126194	28068	0	0	131348	38616	40392	11766	221900	29898	12492	0	0	89326	110484	11160	47694	135846	21588	0	0	0	6276	0	0	0	6558	0	13674	0	93660	0	9534	2180	8034	7350	52164	6702	0	0	0	39154	190408	0	0	0	32412	39810	69766	0	107618	120494	56392	0	0	0	0	29390	258820	131176	47224	162670	33266	12240	0	0	16611	0	0	0	7680	0	0	0	45216	90888	38406	68530	0	0	190023	41154	25356	26592	26226	0	0	15618	20052	224704	46698	0	42358	35518	152310	212082	193464	0	11088	0	0	9666	124414	0	0	166564	Phytochemical	0.625	0.8333333	0.0
12	C24 H20 O15	549.0875	549.08856	0.40574774	549.0877	2168	2099	3602	4346	12841	2805	0	0	10551	3425	2862	0	18449	1433	0	0	0	6214	6909	0	3157	9684	2331	0	0	0	0	0	0	0	0	0	1884	0	4819	0	0	0	0	1269	0	1490	0	0	0	0	13158	0	0	0	2358	2897	5092	0	4438	15890	5107	0	0	0	0	0	23293	7781	2549	11817	1987	0	0	0	0	0	0	0	0	0	0	0	2604	0	1787	5490	0	0	14225	3672	2403	3099	1914	0	0	0	0	10168	6214	0	7293	3046	17872	18234	13963	0	0	0	0	0	9485	0	0	14733	Phytochemical	0.625	0.8333333	0.0
18	C24 H20 O15	549.0875	549.0885	0.34467745	549.0877	8441	10570	7289	11057	31655	12563	1418	0	29940	10557	3950	1789	61044	8311	4498	0	0	23846	16621	7437	10066	32170	8239	1206	0	1613	1873	2449	0	0	0	0	1895	0	15964	0	3451	4223	2184	6770	7272	6160	477	0	0	8813	25225	0	0	0	9783	10749	10385	0	24401	31026	12017	2057	2138	1650	0	5006	68883	37559	7539	44474	8098	1506	2636	3010	2477	0	0	0	0	0	0	2369	13215	14393	10920	23552	0	2247	42716	14737	8522	4413	7340	2688	0	3188	4490	31126	26034	0	9051	8512	26928	37344	38359	0	1249	2432	29813	4560	25402	0	1731	45075	Phytochemical	0.625	0.8333333	0.0
22	C24 H20 O15	549.0875	549.0885	0.41638952	549.0877	4892	3013	5007	6913	15263	8684	0	0	19792	6265	4076	1116	34228	0	2905	0	0	17043	10349	3311	5899	15967	3154	0	0	0	1733	1612	0	0	1073	0	0	0	8521	0	0	2870	0	2616	4312	1489	0	0	0	6363	16981	0	0	0	4680	5752	6620	458	20974	18867	3632	0	1145	1051	0	3358	40616	16489	4273	19423	4159	0	1750	0	2399	0	0	0	0	0	576	1831	5358	9486	5274	13055	0	1885	25298	10634	4345	2355	3668	0	2486	2949	0	17379	12684	0	3922	7336	14709	21588	18859	0	1757	0	12437	0	13593	0	0	30858	Phytochemical	0.625	0.8333333	0.0
20	C24 H20 O15	549.0875	549.08844	0.32630035	549.08765	21012	20092	16630	17450	57858	31442	2548	0	63020	14930	5220	2352	125134	15012	5288	3810	0	50350	37682	7262	12838	44414	11452	4668	2712	0	2242	0	0	0	3444	0	0	0	25830	0	4676	6818	0	7980	11728	3028	0	0	0	22988	40498	1528	0	0	20386	19520	26966	448	52380	50292	15448	0	0	2120	3706	12560	98824	57000	14830	51942	11260	0	3822	5646	5816	0	0	0	0	0	0	5218	25728	37072	18586	28888	0	0	66710	27142	10840	8884	12940	4044	0	0	0	59826	25472	0	19984	14046	41052	69622	62354	3244	2792	0	44160	0	46036	0	4004	120456	Phytochemical	0.625	0.8333333	0.0
16	C24 H20 O15	549.0875	549.0885	0.41059482	549.0877	11284	10915	7837	6858	25316	11020	1871	0	32164	8729	8733	2840	46652	7871	2969	0	0	28713	23804	0	11005	31405	6705	0	0	0	2360	0	0	0	0	0	0	0	15265	0	3055	3001	2157	5483	5847	4977	243	0	0	9803	27326	0	0	0	10073	8358	13178	0	23238	30449	9125	1741	1632	3074	0	3376	57775	27966	9215	26681	6563	0	0	0	2319	0	0	0	0	1211	0	1923	8858	19086	9052	21783	1668	0	40244	12093	7001	5758	5319	0	0	0	0	42901	19088	0	8213	8840	25908	42520	40322	2502	2534	0	13903	0	28333	0	1266	43549	Phytochemical	0.625	0.8333333	0.0
28	C24 H20 O15	549.0875	549.0884	0.39360976	549.0877	2848	3321	3941	3064	8260	4432	1087	0	10545	4286	0	0	22406	3310	0	0	0	10881	9623	3141	0	7409	0	0	0	0	1217	0	0	0	0	0	1052	0	4790	0	0	1593	0	0	2688	0	0	0	0	4108	8414	0	0	0	2514	4213	4546	0	10041	9653	1975	0	0	0	0	1925	19376	8297	1735	5857	1592	1844	0	0	0	0	0	0	0	0	0	0	4383	3580	3414	3674	0	0	8451	2980	2812	1251	1530	1038	0	1961	0	6194	5946	0	3858	2853	5335	8768	8985	0	0	0	5213	0	7092	0	0	17050	Phytochemical	0.625	0.8333333	0.0
10	C25 H24 O14	549.1239	549.1249	0.2933735	549.124	5748	6829	5524	6032	7725	3076	0	2046	7516	12136	5508	2318	12970	4176	1245	3827	3336	8195	6661	7160	9172	12583	3778	3334	0	2902	1957	3013	0	1226	0	2004	1755	1302	20237	0	1439	3396	3205	2109	7202	1415	0	0	0	5441	18286	0	1962	1178	5397	6391	8425	0	10402	9473	3253	2317	2573	2684	0	4869	17251	9826	2628	8396	3656	1483	0	1796	8606	1007	1253	0	0	1553	0	1094	7007	6295	4409	9339	1123	0	17546	4331	5737	2666	3257	1908	0	2347	0	13738	10596	0	7952	4353	12800	15539	13679	1491	2316	0	0	1318	8863	0	1634	13352	Phytochemical	0.56	0.96	0.0
20	C25 H24 O14	549.1239	549.12476	0.26052868	549.124	20710	25903	30955	22189	46829	22724	4472	7515	51433	52599	25578	7225	91748	22246	11929	9773	2442	57647	43376	36300	36260	70838	14685	6172	8075	13111	2977	13255	3563	3804	6988	4879	9442	5339	69857	2520	12646	10046	2644	24216	15144	8819	531	0	0	63685	66163	0	4306	3205	26655	26064	22895	0	54737	43739	11206	7778	7382	3815	5612	23232	90886	38967	14878	52626	17627	4857	15803	13389	12734	6601	3191	1781	1709	3605	0	7458	22952	33969	18414	65289	6562	13636	44475	24789	20905	8929	15324	3157	9388	12766	11378	55881	50671	0	23064	20452	35927	38585	38731	7247	6263	6756	68833	8176	32961	0	6041	87239	Phytochemical	0.56	0.96	0.0
12	C24 H24 O13 N2	549.13513	549.13617	0.35727835	549.1353	6645	11200	10486	10048	12136	5616	0	3427	12579	20899	8935	4199	19304	2874	4497	5125	4957	13182	12012	16119	22335	20493	5068	7586	1791	0	1400	0	2986	3494	4556	3088	4315	3890	34306	1483	7120	6076	7043	19022	20249	2543	0	0	0	21102	52557	0	4755	4108	11713	7646	7904	0	17929	10355	4275	3422	0	0	0	16582	25245	12445	4176	15427	5521	4441	0	4413	8084	3144	3929	1842	3919	2798	0	4501	6129	21457	3263	24178	2265	6774	11851	4755	5428	4918	4181	9652	0	5177	9759	35753	15500	0	4256	8767	9120	15178	13230	5874	2199	4762	43114	5214	8763	0	1942	23806	Phytochemical	0.5416667	1.0	0.083333336
20	C24 H24 O13 N2	549.13513	549.136	0.20951736	549.13525	4658	7572	3941	2874	6097	4003	1597	2207	4616	8997	3068	1820	13300	2532	0	0	0	7527	6649	3064	9489	16167	2920	0	2003	1913	1906	0	0	1904	1829	0	0	0	8947	1761	2152	1348	2240	6026	4722	1428	0	0	0	18129	25134	0	1841	1363	5408	3669	3274	0	8980	4882	2800	1983	2090	1040	1710	9691	8464	7924	0	7024	1654	0	0	0	0	0	1150	0	0	1317	0	2832	3602	9658	2100	17399	0	0	5842	4787	2540	1947	3406	4166	2161	2976	5508	11738	15525	0	3191	3371	4667	7877	4632	1982	1210	4042	20722	3659	6152	0	1820	10533	Phytochemical	0.5416667	1.0	0.083333336
8	C24 H24 O13 N2	549.13513	549.1363	0.30408612	549.13525	4994	5194	3376	3732	3976	2550	0	1330	6114	6128	6242	3422	19078	0	1364	0	1958	6148	5480	5302	9280	14538	2606	0	0	0	0	0	0	1972	0	2220	2322	0	12728	0	2688	1126	2654	6668	10848	3098	0	0	0	7546	25300	0	0	1766	2120	3690	2332	0	9808	7712	2990	2362	0	3772	0	4150	23432	9640	0	8864	2568	2700	0	0	4532	0	2400	0	3158	1948	0	0	2302	0	3058	6006	0	3294	9846	0	3428	6108	2578	3918	0	0	0	14548	7530	0	5202	4490	4028	8100	6118	2214	0	0	0	2496	0	0	1250	10190	Phytochemical	0.5416667	1.0	0.083333336
16	C24 H24 O13 N2	549.13513	549.1361	0.29523662	549.13525	15232	6519	11597	7414	11976	5824	1744	5068	14654	20662	8188	3337	33833	2923	5259	3890	5372	13034	13044	17238	20368	39089	7241	5323	1709	1655	2270	5146	2614	4247	7973	5070	8081	2721	34315	2979	6016	3636	5292	16874	27303	3067	0	0	0	42339	53612	0	3751	2454	9537	12817	7869	0	23402	13393	5348	5612	5224	4013	0	17164	28826	12364	4009	19547	6143	5953	0	0	6599	3369	2303	2768	2880	0	0	2194	8391	23493	6423	37126	2990	9587	16275	8062	5278	3276	7393	0	4366	6331	0	28959	29522	0	11951	7614	7494	12080	11116	5445	5057	4749	40609	0	8909	0	5128	29040	Phytochemical	0.5416667	1.0	0.083333336
14	C24 H24 O13 N2	549.13513	549.1361	0.29970983	549.13525	9810	13623	13875	8590	14074	8000	3623	3465	12405	23810	13041	4550	28778	4531	5395	3689	5324	15016	12147	14386	22436	43514	10791	6816	2487	0	2435	0	2089	4213	4750	0	7921	2201	34859	3217	6993	5349	4610	21577	31352	6450	0	0	0	34542	74372	0	6658	3628	13091	9634	9618	0	23856	15468	5971	5405	6357	0	0	18810	32873	22202	6659	18749	4697	3537	0	3354	6657	5389	2180	1665	5527	3866	0	4084	7219	30931	4551	31491	2419	5815	14442	6255	10943	5304	4856	19662	0	7430	11061	34284	25962	0	10891	13369	10369	16872	14403	3888	3244	8530	46961	8041	10282	0	3845	31388	Phytochemical	0.5416667	1.0	0.083333336
12	C26 H28 O13	549.1603	549.16125	0.24041699	549.1604	24736	29608	24889	28795	16080	12289	17614	17318	21491	57161	39233	11188	15855	7502	10738	19234	10671	17601	22007	47356	39354	57115	18224	13145	10249	16304	12438	12166	10417	11767	17141	13352	15883	15760	168690	11697	14550	19122	20596	31239	43541	8895	0	0	0	45160	82477	0	20081	17442	22576	21491	12940	0	23044	16034	11696	24447	16891	15710	0	20336	23088	15956	7870	19388	9488	25198	15732	22052	29259	13134	14581	15070	13570	15879	0	11724	22359	17873	23986	39510	12140	20151	19971	11871	18567	9050	8081	16760	9469	15574	17178	37864	40296	0	24765	25697	20652	19156	16634	20580	10732	18736	49722	15236	16288	0	14074	24701	Phytochemical	0.5	1.0769231	0.0
10	C26 H28 O13	549.1603	549.1613	0.37285718	549.16046	7125	7688	8766	5254	5607	2298	2727	4040	5236	19742	8791	3296	5583	3159	3890	6649	6017	5382	6460	14701	13602	10793	3539	6095	2672	3881	4000	9197	3366	4575	3665	4874	4332	3352	24923	4444	3076	5853	8082	10144	10755	3422	0	0	0	9941	19255	0	6643	3467	7914	8449	3610	0	7058	5816	3065	6402	5493	6708	0	4670	7387	4870	2000	3012	3789	6498	0	5208	9031	4238	3553	4602	8578	6445	0	2894	8042	0	5490	8170	4998	6136	7224	3101	7875	2611	4655	5773	0	6908	6114	10712	11663	0	8315	5876	6373	7055	7436	2881	3675	4436	0	3534	4363	0	3638	5435	Phytochemical	0.5	1.0769231	0.0
20	C25 H28 O12 N2	549.1715	549.17236	0.19309689	549.17163	11524	12198	7134	9763	7438	6460	3597	6705	13801	15986	7061	2804	15836	3831	7471	7256	4786	14652	13024	11568	8591	20353	8270	8072	7058	3174	5268	2692	6817	6536	8642	7539	14133	6111	22544	3083	9898	5296	3524	17035	10071	5646	0	0	0	19950	16159	0	4467	2613	5517	6868	5889	0	20536	5251	4265	8915	9192	3120	4806	12699	16852	16045	3877	6664	5264	3420	3408	10112	6551	7225	4208	5893	3723	3162	0	4601	5968	6667	3907	14932	5925	12298	6265	5408	6809	7967	5897	7675	9203	11114	12951	12418	16498	0	9018	6755	7427	4057	5682	5191	5078	8836	17272	6140	5842	0	5021	16944	Phytochemical	0.48	1.12	0.08
18	C25 H28 O12 N2	549.1715	549.1724	0.26701844	549.17163	23311	20124	19888	20530	16477	15272	9696	15798	18892	47794	15738	7711	29321	6322	13516	20618	8242	28734	30792	31590	39060	45274	18910	18558	15552	8367	6400	7285	22897	12086	13754	14843	16853	13353	52016	11170	22725	12010	8645	37028	19095	8714	576	0	0	50197	29685	0	14519	8970	22993	23940	11373	0	34747	11425	9484	18120	17882	6296	14437	28884	34271	20866	6987	25099	8841	8436	3552	12263	7151	12346	9746	8066	8278	12143	0	12461	18491	14934	15661	28618	14849	13931	16069	14820	20781	9722	12973	9974	16965	26966	27869	24409	42097	0	17330	19274	14015	10436	13446	12361	8557	15431	34028	19491	12520	0	14865	29808	Phytochemical	0.48	1.12	0.08
12	C25 H28 O12 N2	549.1715	549.1724	0.1801669	549.1716	29802	27247	27012	24639	17509	10870	13463	24613	26875	57670	30844	12682	29823	6873	17987	25153	26575	22542	25098	51328	62926	77418	23973	26742	14181	8853	15645	10134	22959	17776	24330	23500	29700	14646	79903	22769	25814	17601	20431	53200	59113	13723	277	0	0	60359	77574	0	26779	19940	29033	30859	12961	0	30999	16706	14080	25322	19590	17075	21003	40219	38992	21466	9593	21911	16559	27989	0	23436	18704	16867	18247	20496	12566	17097	0	15934	19922	23666	17220	35993	16607	25413	16824	12366	21708	11711	15021	35873	14980	29484	39408	48441	47222	0	28385	29131	14674	16016	19949	20504	12393	27253	43910	21252	14600	0	14702	35633	Phytochemical	0.48	1.12	0.08
16	C25 H28 O12 N2	549.1715	549.1724	0.20824212	549.17163	29183	32220	29971	28534	23917	16786	14559	27086	26205	68344	27270	12235	48815	8612	28283	26407	16253	39817	44173	63396	56022	61876	25946	28812	23152	12772	12156	15056	21865	20637	22789	26650	32607	20396	102600	24820	30721	18842	17062	59795	41583	16041	483	0	0	58101	48796	0	19579	21943	34245	33245	19203	0	39377	26247	17148	25399	33421	16634	30322	43335	51321	25899	10473	29905	24111	16742	9538	28195	31015	26164	23759	19761	16006	25382	0	19067	27313	30837	23162	46556	16563	28973	20295	13682	22438	16369	16343	34228	27049	37321	47607	34817	58991	0	35816	36003	19365	21312	17148	29445	16027	33332	46424	25453	19126	0	18949	50267	Phytochemical	0.48	1.12	0.08
10	C25 H28 O12 N2	549.1715	549.1725	0.23212615	549.17163	20826	19096	13861	19666	11944	7170	6489	16329	12446	45076	19630	7488	19470	4339	12236	12817	12177	14778	21801	27727	35177	40892	9593	16115	5062	7118	7999	5806	9699	8587	11200	13169	15078	14113	53780	13122	20617	10686	11861	34541	31854	4734	0	0	0	32202	39677	0	11731	12218	17065	16279	11795	0	20710	13035	6526	16947	10474	17791	17501	19517	23766	16772	6036	15633	8160	13242	0	9910	10580	13808	11426	11671	10888	10836	0	9878	13559	17881	9324	18730	8084	12875	14076	5514	15172	8563	7651	21163	8789	18586	25959	32354	31322	0	19359	16611	9681	15876	10774	15884	8231	16492	25968	14459	9857	0	8343	22292	Phytochemical	0.48	1.12	0.08
26	C27 H32 O12	549.19666	549.1975	0.28720203	549.19684	12870	11039	13402	9897	13714	9339	2266	0	13453	40781	9670	4971	30962	8062	7303	7481	0	22254	21594	32313	27290	16278	14826	8588	6014	13834	2055	8608	0	0	6582	0	8740	5663	39589	6397	10017	5364	4221	16159	10586	6538	0	0	0	26161	20810	0	10245	0	13395	10628	10191	0	18011	14127	7517	8766	6251	4161	8876	13226	22842	16208	2675	12639	6555	4622	13958	32794	21654	6028	4869	0	0	5381	0	6273	15130	5608	9225	13743	5395	8326	14851	8393	9323	3458	6497	5545	8483	14584	13586	9701	16536	0	12233	9855	11598	13968	9983	0	2982	8168	13327	6550	7236	0	6627	23333	Phytochemical	0.44444445	1.1851852	0.0
24	C27 H32 O12	549.19666	549.19745	0.22912411	549.1968	34577	30894	26144	34417	36291	27592	8552	22228	45322	94540	29988	10292	74762	14917	21289	21878	7334	48685	50743	68635	59239	41861	28234	23074	18354	33096	9830	24722	19595	17262	18556	18341	22176	17030	103675	18030	30019	18874	9807	47621	28695	9801	0	0	0	62092	41793	0	19639	16058	30157	34596	23544	0	47994	32531	17547	24557	22927	10698	21643	31726	67083	34870	17514	42576	22075	12333	35828	66669	52994	23926	15645	17338	10487	13920	0	17751	37519	17769	27732	33886	13460	26973	35867	21376	23957	11983	16711	13864	28577	20114	26207	23420	41076	0	35974	30481	30433	28730	28422	17339	11079	19631	36485	20906	25658	0	17555	62473	Phytochemical	0.44444445	1.1851852	0.0
18	C26 H32 O11 N2	549.2079	549.20874	0.13062872	549.20795	32580	27278	27695	29941	18776	17529	20386	30054	21637	50253	21210	15032	25497	11094	35128	25740	14399	30921	29107	46961	43431	54374	28438	29701	37023	6249	19602	20838	39138	24116	34176	28641	36839	32043	69983	29007	39721	23026	14467	50988	15247	15719	0	0	0	38226	11971	0	37361	26797	25377	22423	13965	0	30044	13508	10106	37458	38324	9940	28166	26600	22618	20954	7807	20029	15017	16267	8195	27114	7635	22405	26224	30320	12964	22616	0	21060	30828	11509	16965	22511	23168	28556	13988	12267	26659	14938	20799	20359	41368	52575	60179	18947	39437	0	26524	31399	11317	15461	11204	29519	17137	30706	22465	31608	13296	0	22354	29602	Phytochemical	0.42307693	1.2307693	0.07692308
12	C26 H32 O11 N2	549.2079	549.2088	0.19019108	549.208	22841	26012	24923	27121	13959	14306	22930	30256	15639	42641	17372	17145	17800	8246	20903	20383	14080	10799	20407	52147	41385	49336	22667	33036	18055	9477	14090	11301	25429	22013	24166	17527	30080	17043	76556	20454	23618	17027	18629	47324	25506	12596	0	0	0	37345	19134	0	19932	30347	26615	25622	18150	0	26982	9944	10111	31533	24154	16748	0	30156	21069	17217	8653	17869	13769	22407	0	20109	12231	18830	17912	20406	18137	16304	0	19391	22025	16111	12720	19480	22265	24528	13008	10253	21050	10533	13544	29506	22955	39013	41142	31188	25298	0	26763	29000	8336	12401	9777	20795	16670	28346	24533	21996	11471	0	18063	21859	Phytochemical	0.42307693	1.2307693	0.07692308
22	C31 H32 O9	549.2119	549.2127	0.13305806	549.212	23128	22116	17650	19642	20785	12742	5128	13238	25681	46100	57408	8306	23012	17708	8511	14932	6851	21277	26845	53450	54656	21998	10746	14903	9792	116391	6968	51936	7324	6293	10735	7834	8895	8394	57889	4746	9503	11103	6230	36290	41813	11964	0	0	0	19327	24475	0	13550	9807	21262	24407	18520	0	17900	17349	11574	11649	7884	12596	14494	26097	25168	15144	10923	21176	13381	8371	95811	105694	137028	10418	6154	7188	4989	7955	0	7903	18775	19230	15620	14604	9599	33943	33067	14666	14411	12097	8668	16928	17096	16762	13702	26085	23804	0	16823	22561	22730	23484	19992	13031	7259	15642	13014	9811	22939	0	5902	24258	Phytochemical	0.29032257	1.032258	0.0
24	C31 H32 O9	549.2119	549.21265	0.10574919	549.212	18958	19782	19998	14334	20814	12236	4394	8381	25336	36736	56372	3921	23322	18405	7686	9134	7250	15346	26866	42972	41983	14239	11951	11062	5744	115352	6413	49787	7187	6942	6847	5126	9098	6752	62661	4323	8218	5903	7324	31505	37264	11303	0	0	0	20951	21592	0	6962	7045	19587	19483	15237	0	19001	23961	8773	10540	7313	7958	10252	24089	23264	15023	10377	21661	10198	4759	86635	102978	131924	7828	7357	2806	3503	6339	0	7396	20305	18515	15394	13696	8652	32037	29945	13498	18373	7513	11330	12062	5055	11072	7749	23545	22010	0	16573	19851	23888	26445	21942	10273	4952	12423	12272	8154	17219	0	9024	21988	Phytochemical	0.29032257	1.032258	0.0
28	C31 H32 O9	549.2119	549.21265	0.0991635	549.212	3310	2085	2232	2642	2960	1617	1130	0	3589	5147	6198	0	5191	1694	0	0	0	3429	3904	4331	5606	2486	3314	0	0	17621	0	4879	0	0	0	0	0	0	5275	0	0	1723	1335	4376	5263	0	0	0	0	0	5158	0	1872	0	3728	2638	2643	0	3664	3345	0	1808	0	1501	0	4029	3608	3910	1513	4251	3242	0	18616	13504	26631	0	1293	0	0	0	0	0	4013	0	2274	0	0	4209	4971	0	2607	2528	1439	0	1815	1842	0	3146	0	0	3029	4079	3203	7474	5643	2834	0	0	0	1903	4352	0	0	4844	Phytochemical	0.29032257	1.032258	0.0
26	C31 H32 O9	549.2119	549.2126	0.0652416	549.212	8392	9044	7166	10702	13102	5010	2339	0	17992	18805	25421	0	10572	6738	7851	0	0	7106	15725	21907	27157	9240	0	0	0	46363	3679	22754	0	0	0	0	4914	0	24895	0	3214	0	0	16338	17895	0	0	0	0	9650	10679	0	3839	0	9876	8197	12348	0	11610	12175	4460	4804	3271	0	0	14128	11378	7116	3966	12088	8988	0	60800	47469	72709	3319	3547	0	0	0	0	0	9654	0	7516	8325	4524	15488	19272	0	11042	5157	4492	5686	2814	3785	0	10418	11779	0	11563	14426	9947	18480	20271	0	0	0	7319	2564	14191	0	3831	14220	Phytochemical	0.29032257	1.032258	0.0
14	C25 H32 O10 N4	549.2191	549.2197	0.054223504	549.2192	0	6336	4743	5533	3925	0	0	12616	5863	16022	3576	5408	1746	1508	7133	4971	5027	4635	4311	9527	24194	0	2855	16845	9015	5008	4542	0	8441	7292	6370	0	10916	9363	11727	7005	11527	9318	9939	5519	4547	1700	0	0	0	4975	7525	0	5812	5273	6606	7185	3961	0	3209	2960	1922	8483	7974	0	0	4406	4202	3421	2923	4452	5794	8704	0	11324	19734	4050	4242	4490	10464	4909	0	8225	7117	0	4344	5614	5418	7664	4144	0	7414	4426	4270	0	8238	13823	18958	0	8845	0	0	11309	2735	3061	0	6662	6639	4585	0	4498	2200	0	9059	2260	Peptide	0.4	1.28	0.16
22	C23 H36 O13 N2	549.229	549.2303	0.45668122	549.22925	12004	9444	12458	9730	9324	9312	3574	9568	6968	20180	12578	4352	7550	0	9384	13836	5132	0	14701	24993	12978	16630	8114	13466	9900	16458	4968	14050	7120	10255	11528	14462	15542	2483	24130	11615	11668	5394	5298	16204	10798	9282	0	0	0	14499	14298	0	2447	3646	8942	7296	6859	0	10395	5686	0	0	0	4214	2283	13724	9724	6126	3604	4532	5754	7732	14232	22484	13854	13432	7780	8350	9472	11910	0	10072	7530	0	6398	5212	5200	0	3746	4346	3726	4942	6700	5892	16986	0	12017	4902	9815	0	9498	13572	4480	6295	0	15226	0	15938	2486	7722	6014	0	5090	15722	Lipid	0.5652174	1.5652174	0.08695652
26	C28 H36 O11	549.23303	549.2339	0.18837065	549.23315	23583	26874	23001	27082	31125	20269	7547	20351	33037	66489	22777	12637	55486	18592	18245	27769	8665	41134	39318	55616	63872	29223	22859	27718	17302	37026	6810	21315	21212	13187	17738	17800	25995	15493	70283	16824	30326	17495	11402	34689	21643	16575	0	0	0	34121	24455	0	18638	17271	27252	28460	23953	0	43650	27868	14196	25288	20091	9233	24286	21905	46589	33458	10885	32617	20747	8497	37736	73265	58625	19632	17661	15539	13072	14818	0	15299	29654	11808	20470	16752	15376	19693	37455	16519	21002	12057	14855	10162	24120	29005	33739	11505	28813	0	24906	26531	20736	27906	25840	19709	9124	28020	20055	21748	22544	0	15076	49360	Phytochemical	0.39285713	1.2857143	0.0
22	C28 H36 O11	549.23303	549.2338	0.169346	549.23315	217172	208414	193212	206984	173268	156775	89471	201725	238149	520491	206869	97277	254289	116427	189550	159792	83956	285788	263813	433278	374152	226261	169397	202827	177957	233101	82524	176898	188183	142317	181827	199529	209002	157608	561122	183031	244576	160045	83698	267762	133611	104226	5413	0	0	257887	141705	0	177205	159386	207029	201393	157443	344	294564	166592	106795	181165	191702	73106	171256	170000	300956	214215	95331	207088	128771	89107	194312	512351	287183	161327	147506	159492	88957	150676	0	147030	192767	79380	174159	138973	129275	146180	181681	131842	171656	95492	131119	110134	205289	253549	240010	119375	207493	0	192326	209700	161706	144266	129863	181408	119460	196661	141365	162947	137840	0	115025	293219	Phytochemical	0.39285713	1.2857143	0.0
28	C28 H36 O11	549.23303	549.2339	0.2197346	549.23315	9632	7468	7553	8520	9067	5938	3356	9750	8945	25334	7242	2350	20379	6702	4711	11865	4163	10870	12648	21980	21158	8661	7213	8535	4683	16529	4024	6953	6315	14466	9756	6311	9210	7531	23579	7672	9192	4388	4541	11596	7510	3770	0	0	0	8288	8412	0	16996	7160	8926	9031	6185	0	12785	10202	3001	9019	4574	2963	8113	5759	12002	9617	4902	8157	6675	4458	12171	30351	21859	8745	4474	4759	5196	5743	0	3476	7839	3422	7459	5487	4785	6772	11098	3785	8174	3975	5277	3262	8111	10834	8705	5762	10358	0	8524	8569	6189	8894	7588	5860	3866	11775	4233	6010	4799	0	5244	13558	Phytochemical	0.39285713	1.2857143	0.0
24	C28 H36 O11	549.23303	549.2338	0.16606587	549.23315	97812	77819	81357	91471	79335	75283	35954	82974	104541	226828	79541	34379	157144	46161	66125	78416	30383	118061	127051	168596	152354	98883	72979	77763	61843	98694	30412	79055	69242	59261	69115	64945	83335	57823	240147	65021	99629	48302	37518	117041	57487	41931	0	0	0	104510	61637	0	74492	56447	80764	86660	62939	0	137721	79913	45459	67561	74309	25043	70909	69330	136771	97694	32149	98109	55305	42706	89896	215289	127837	73180	59363	61864	35658	55535	0	50252	76652	31382	70391	55314	41121	65588	90174	56772	73943	35741	49614	44685	75899	94066	113010	51302	79705	0	82593	84460	61222	74270	73404	74984	41635	79478	59522	63166	56754	0	47719	132812	Phytochemical	0.39285713	1.2857143	0.0
14	C28 H36 O11	549.23303	549.23395	0.21995814	549.23315	39590	38316	34823	32175	20957	13831	34696	37813	25018	41323	35344	25390	19882	11831	26208	43765	37781	17014	27070	41358	37227	30422	31716	36234	27225	31623	30419	31181	30746	39377	31203	51000	32545	23300	42558	34567	33515	28043	32613	22902	37100	16078	0	0	0	27253	32156	0	38118	35480	36514	33917	16446	0	30392	19071	14294	43836	29242	32664	28789	20163	22256	26686	11105	19315	16072	43225	38394	33360	41152	27870	26378	34273	32184	33631	0	24328	40572	0	27134	19618	29066	20334	28403	19081	39886	15463	16755	50485	27243	31230	34354	17188	20626	0	32703	31537	23022	23169	22368	42972	20538	41253	0	30441	21340	0	34293	19946	Phytochemical	0.39285713	1.2857143	0.0
18	C28 H36 O11	549.23303	549.2339	0.16868848	549.23315	194755	192370	181804	176027	132396	109152	121030	207652	156934	360860	204918	126023	189497	81662	153002	188270	125729	154315	207144	335833	272518	191750	164933	198637	147573	255982	120699	188981	200847	165611	170766	194228	204320	169727	358114	192829	181678	146866	156031	230260	171848	95424	3038	0	0	188850	141875	464	198200	159314	198800	191843	119309	0	221864	131410	83412	196750	155747	109894	181109	133914	202374	151467	84508	168551	117367	142448	185585	303247	316942	158169	145915	164340	133136	184167	0	126139	210356	97815	174051	124804	139051	150626	156620	108871	172876	94274	111687	148178	167519	183059	219041	109315	167923	907	182325	183975	131830	137834	133983	170029	110466	194181	114855	154918	115949	0	139265	164429	Phytochemical	0.39285713	1.2857143	0.0
14	C27 H36 O10 N2	549.24426	549.24524	0.31190452	549.24445	10271	10330	11160	8638	2961	6110	8875	21982	5791	15453	4532	6972	3012	1638	9844	16357	9706	5619	8399	17504	12873	16704	10645	15105	12278	4034	9355	0	16939	13143	12396	11744	17694	14091	17450	15931	13737	10970	11975	22849	11135	5000	0	909	0	8888	4635	0	14517	8148	11954	13438	6469	0	6241	3430	3904	17707	12691	5727	0	12272	5177	3326	4643	5596	5204	8386	0	5814	5567	12242	9784	10517	6492	11406	0	9207	10134	0	6868	8634	12128	6690	3729	3717	13603	7112	8809	28910	19090	21153	27296	7834	11905	0	10593	9018	4214	2537	5847	13024	9379	23924	0	15297	3214	0	8906	5790	Lipid	0.37037036	1.3333334	0.074074075
18	C27 H36 O10 N2	549.24426	549.2452	0.22980382	549.2444	19367	17808	18351	14370	5001	11426	12695	31435	9873	27283	6905	10024	6514	2918	17013	19211	10048	14854	17170	20221	11844	24640	16672	24672	29212	4627	11436	10003	23594	22417	17777	27053	22566	20120	28535	21898	30931	13237	15043	24944	9356	10337	0	0	0	24891	8661	0	24811	17624	15255	19214	13566	0	16018	6231	8433	27887	22995	5994	23855	12833	8450	9559	3737	12852	11651	13112	2927	9211	2745	24052	16669	22399	11627	15693	0	13845	13138	10043	10110	10432	21095	12875	6289	10288	17636	12180	9908	18716	30897	37285	49638	13822	21722	0	15790	16571	4357	4357	2617	24727	11239	26251	6871	24063	6291	0	20318	13459	Lipid	0.37037036	1.3333334	0.074074075
24	C32 H36 O8	549.2483	549.249	0.071300976	549.24835	32925	33773	26490	26008	27165	15872	11789	21143	30715	51823	55974	14275	31661	20749	18874	23379	17770	21870	36338	50960	52632	26664	19961	28760	20943	133723	13069	59807	23563	24595	19608	21130	24800	16391	51022	21868	25501	14835	24878	46979	53949	15255	0	0	0	23270	27195	0	23000	22546	29710	33519	21480	0	27121	29061	15972	24599	18606	15844	24622	37673	28778	24004	18501	24202	22318	18807	111481	115474	144117	17949	16454	16365	14550	19207	0	14616	34193	22990	25850	18818	20478	41267	41554	19760	31486	17837	20912	26586	21562	16143	27878	26769	16803	0	28798	30534	27271	34229	41264	24671	14087	26956	18353	19022	26386	0	20852	24917	Phytochemical	0.25	1.125	0.0
28	C32 H36 O8	549.2483	549.24896	0.06998395	549.24835	4474	2237	2838	6215	4166	0	2266	0	5308	3990	6691	1226	4310	2542	0	2988	3279	0	4818	5611	3683	1709	0	2798	0	21138	2673	7993	0	0	2409	3011	0	0	4100	0	2488	1664	2048	5396	8054	0	0	0	0	3693	0	0	2300	0	3853	3224	1966	0	6127	5461	3932	3957	3170	2187	2388	3137	3612	2922	1842	6299	2696	2608	20083	16492	24150	1858	2104	0	0	0	0	0	4712	2682	2667	3149	1758	7014	8227	3609	6013	1875	1737	0	2116	2361	3396	5172	0	0	3083	4296	4369	10219	8659	0	0	0	0	2523	5067	0	1993	2108	Phytochemical	0.25	1.125	0.0
26	C32 H36 O8	549.2483	549.2491	0.08409864	549.24835	17270	15897	17346	11551	15929	6326	7044	15122	19453	18743	44119	10422	25338	13922	8944	19012	13336	15329	23026	30513	37679	14981	11517	13301	10888	86475	4070	34305	12912	11196	8851	10472	10133	10283	30689	13246	12137	8414	8633	26830	34447	10628	0	0	0	17836	14265	0	10311	9810	15654	18796	14993	0	17979	22275	11400	14597	9227	8548	11855	18704	18931	18724	10182	18041	12914	11920	77059	52405	82289	7283	8553	11257	0	6691	0	12719	20503	16605	15577	11094	8129	33906	30259	12864	25088	9318	13296	11686	8225	8847	15252	17289	15108	0	18359	18004	16465	28375	28270	11678	5677	15174	7423	14092	19551	0	10742	14440	Phytochemical	0.25	1.125	0.0
26	C29 H40 O10	549.2694	549.27026	0.15764293	549.26953	66382	52748	61308	52027	64342	41418	24167	89624	65867	93252	48312	32841	102113	38341	47662	72178	32636	80185	109395	125951	109783	61548	44537	64159	50827	66072	22730	54108	102093	91116	83030	76391	84864	68093	140041	78464	101931	44753	28967	69711	32755	35993	0	0	0	61036	31356	0	105322	73655	67830	58826	49677	0	104220	60527	33308	82219	53993	23805	74007	41350	83704	63072	22924	59968	45544	29773	62005	130030	91093	71641	56239	54911	49506	67507	0	53088	60562	20566	44708	27305	48298	36124	65612	46349	48328	27901	44820	34452	63690	74320	80864	28932	46476	0	68606	58071	37196	62141	62124	83151	24405	107087	37508	46643	49431	0	33703	83247	Lipid	0.3448276	1.3793104	0.0
28	C29 H40 O10	549.2694	549.2702	0.16010025	549.26953	12553	9634	11773	10497	13934	7155	5803	9262	13151	24621	8672	5016	21199	6443	8763	8664	7193	12452	19183	19567	22249	9626	8245	9070	6990	20125	5664	12984	9733	7284	7337	9992	13807	7969	28625	8416	13735	7386	6279	12988	9236	7270	0	0	0	8181	6046	0	10883	6944	9313	9581	7531	0	18674	13144	4158	13127	6415	2660	8401	5819	16269	11324	4849	14805	7460	6426	18577	31550	28435	5440	6901	7048	6710	5011	0	4428	11694	5235	7811	3258	7964	8350	15346	5480	11102	7109	6624	8596	12848	14317	12293	6249	6727	0	11447	12071	8986	16862	16375	10232	3821	12460	3736	8244	9748	0	4966	15329	Lipid	0.3448276	1.3793104	0.0
22	C29 H40 O10	549.2694	549.2702	0.14420374	549.26953	239701	204042	206878	208730	206093	157233	134719	242239	246864	376385	229360	143102	235255	123459	207258	229417	138904	246586	280529	383819	316151	215871	205697	227326	197021	266790	125504	204278	258414	211323	225879	255764	250849	190184	456362	231612	272212	177081	157407	236937	150260	131296	4525	0	0	193794	120367	0	249396	194719	229549	219586	170009	335	341515	190852	123107	243281	205076	102986	242670	164135	287697	243069	116360	209050	154768	150667	200624	437607	277334	194508	178588	198116	133967	204335	0	188574	247235	109223	208819	121943	176649	152786	225684	153687	233900	116733	163685	157948	241022	289171	281801	123202	206762	0	208366	216305	163918	204069	195506	258543	157330	258199	128668	196119	174065	0	151222	270659	Lipid	0.3448276	1.3793104	0.0
16	C29 H40 O10	549.2694	549.2703	0.16958646	549.26953	24932	25079	26241	28858	11714	14002	35184	31948	18620	21057	14668	23414	18598	8739	26285	34706	47827	15390	19089	24151	21522	17554	25894	32123	24177	17460	30083	12774	22543	27771	31067	31266	31059	12885	25036	35397	28518	24500	48875	13060	17908	11910	410	0	0	13028	22622	0	35068	25592	22678	36105	14781	0	22625	17321	17401	29514	19507	23020	33256	8377	16488	18632	13388	12099	16728	49214	22036	16191	22591	13371	21426	29847	40529	27575	0	24061	45508	11861	32598	15694	20906	14117	27290	18388	38270	12700	15074	45768	26643	23729	42577	17805	17007	0	28480	29978	19054	29626	29006	26316	18251	29024	10491	25920	17802	0	30263	11782	Lipid	0.3448276	1.3793104	0.0
28	C33 H40 O7	549.28467	549.2854	0.07955637	549.2847	4817	6087	5179	4442	3036	1136	2929	6602	5274	2099	6885	2576	7350	4079	4054	5933	5239	3237	6442	5698	5080	3665	4427	6649	4611	18118	0	8354	5311	7604	5637	6516	6230	4309	3960	7966	4947	4648	4059	5570	7278	3401	0	0	0	3255	0	0	5481	4753	5925	5591	3729	0	6356	6789	2552	5228	3363	2091	5013	3016	2934	5346	2311	5626	3392	4522	20642	11324	18498	2983	3682	5375	0	4568	0	1981	5310	4093	4448	2741	2556	6339	8326	0	8192	3191	3467	4397	4619	3796	5446	3548	0	0	5283	3898	3412	14509	15737	6811	3250	6185	3523	5045	4971	0	4417	2077	Phytochemical	0.21212122	1.2121212	0.0
26	C33 H40 O7	549.28467	549.28546	0.10318416	549.2847	22088	22643	16590	20804	14336	8955	11717	31024	21687	16836	40575	17150	16880	15356	23482	26998	24028	9218	27226	35419	30893	15624	21434	24969	23340	82056	15489	36991	29107	33816	25790	21627	27259	20400	22315	21530	31728	16686	22798	31797	38705	16289	0	0	0	18356	14458	0	23278	26365	24114	21323	18739	0	25080	30247	15929	25894	17131	15470	18079	18707	14411	17380	12169	18913	20017	26194	85547	52877	62801	17860	17023	24629	14107	26657	0	15482	27108	21228	19428	12385	19546	35009	28883	16906	32742	12879	15347	30392	15043	18516	35578	16716	0	0	19199	19687	19406	44859	43021	38202	16632	25792	12545	23801	19646	0	23869	10357	Phytochemical	0.21212122	1.2121212	0.0
24	C33 H40 O7	549.28467	549.2854	0.06534905	549.2847	20478	22774	26948	26457	16962	10459	19890	28367	19342	21048	36549	15609	17855	12096	26138	37018	30851	9685	24926	41305	36526	17457	20930	28915	26804	81576	16628	35885	20418	22825	23385	24479	27877	17435	22450	29317	25233	19503	37919	31093	42585	15141	0	0	0	21608	19689	0	29589	23801	21191	26148	21328	0	22698	26770	18427	25375	19921	18437	27568	22256	15811	17858	13384	18385	17230	34531	63936	53112	72563	16893	21344	26173	22152	23808	0	18068	31130	20154	23977	14002	21370	23758	25952	19046	34398	15331	20243	37764	19344	20604	33406	18047	16498	0	26298	22254	17854	29647	32820	36122	17075	31347	14846	26627	19121	0	25326	12904	Phytochemical	0.21212122	1.2121212	0.0
6	C32 H40 O6 N2	549.2959	549.2967	0.49016464	549.2962	0	0	0	0	0	568	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4012	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50302	0	0	0	0	0	0	0	0	0	0	46690	12470	0	2207	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.1875	1.25	0.0625
22	C30 H44 O9	549.3058	549.3066	0.05114562	549.30585	72538	74738	78939	78821	79549	46744	74228	75300	75587	60418	55608	51571	76482	48052	70289	94366	83050	77464	102058	68156	64620	60046	68476	73215	67356	68512	66667	55488	74502	83883	69217	91264	87815	59866	70752	83021	96527	70639	87562	53269	50445	55505	0	0	0	46456	38670	0	85535	70295	70161	78442	59116	0	124036	81870	49832	91504	61466	48726	82371	37292	89753	84447	44797	76110	58809	88221	44574	85361	78199	51355	57146	69386	71806	76887	0	54326	87819	45583	74242	38012	77578	48485	118465	72274	91563	42608	56259	74163	87284	111296	90572	41111	46848	0	75504	74621	64274	99601	113957	112823	49902	86723	38099	71807	90427	0	62706	73811	Lipid	0.3	1.4666667	0.0
18	C30 H44 O9	549.3058	549.3067	0.22529258	549.3059	10207	8434	3904	8258	6024	4022	10968	8150	6404	0	2509	7394	3848	4208	8398	14833	23669	3116	8914	5138	2507	2381	5527	5870	7419	2912	14767	2053	10401	7499	8212	12028	7843	0	4164	10836	9154	10624	20033	0	4142	3247	0	0	0	2500	0	0	10676	7874	9015	9700	6289	0	12148	11496	7090	13264	4957	7812	10684	1299	10342	9162	7056	5105	5605	18827	2002	4465	1972	3742	4636	13640	20665	10243	0	5428	12397	4671	9865	3165	6796	2003	19083	7073	12370	4796	3333	20054	9230	8355	9749	2692	4652	0	6552	8822	5883	20458	24869	12870	4877	9525	0	8614	11349	0	12743	5941	Lipid	0.3	1.4666667	0.0
20	C30 H44 O9	549.3058	549.3066	0.096743666	549.30585	31331	30980	37184	27982	33721	15044	39934	26405	29120	11579	15446	21917	33548	22069	32665	45958	43686	23437	41507	23821	17259	26248	23541	41052	32471	23276	36406	19544	36215	36806	26161	35642	34931	22217	20547	44280	27782	25273	54627	12195	17353	18528	0	0	0	14347	17069	0	35358	32241	30427	28048	27148	0	51792	40902	26328	36460	22729	25836	37020	9193	39913	28937	22606	28913	25608	50118	15422	19285	21099	15137	26998	34078	52439	33767	0	21654	40748	17592	29528	13029	33949	13036	55479	28856	49260	15523	23673	46517	34284	30249	36453	10640	11345	0	31976	33503	26614	57112	62255	37856	23134	36705	7248	32739	42198	0	28679	30429	Lipid	0.3	1.4666667	0.0
28	C30 H44 O9	549.3058	549.3066	0.11619359	549.30585	10887	11106	13327	9472	14963	5834	15768	12365	14970	10330	9349	3830	14738	6611	9469	9421	7301	11279	22789	16611	11759	9393	9070	10595	17380	15298	9789	12529	21825	15510	13268	12556	24713	11264	16371	17806	22160	9543	7072	10513	5497	7093	0	0	0	7878	3911	0	20638	10902	13712	9704	9360	0	20928	13998	6720	14484	12824	4084	16913	6337	16248	13915	5861	14525	11042	5435	11159	20119	13103	8854	9448	12740	4905	10882	0	7430	13693	3298	9210	4621	11743	9964	16210	8195	13882	5514	7308	6859	18898	18055	13993	7027	5451	0	9509	10940	7866	19505	22456	17084	6191	17257	7157	10639	11213	0	8238	11736	Lipid	0.3	1.4666667	0.0
24	C30 H44 O9	549.3058	549.3066	0.08819875	549.30585	102344	113711	109999	99628	109732	71544	101961	110563	122926	127351	79994	61371	126900	66837	109043	108972	73444	121248	191519	156159	124101	84982	85411	109941	98684	107719	92721	95394	128689	107972	99308	110464	146698	89845	152849	127056	153633	86880	85652	112636	63220	70015	0	0	0	85874	51234	0	114598	87046	103444	110407	95466	0	192045	123403	64844	123474	110537	48919	119952	68933	142682	117479	57728	113670	93975	86260	76529	152736	101942	88118	87484	102999	76517	99316	0	82421	120571	60847	91545	57868	96180	80189	134874	96542	113795	61143	85312	91275	143357	144921	136715	60799	85459	0	99553	106436	84390	128533	144337	144423	63941	136012	55811	104829	108759	0	77095	130136	Lipid	0.3	1.4666667	0.0
26	C30 H44 O9	549.3058	549.30664	0.09623195	549.30585	74511	64795	70944	56254	74739	45158	51558	74380	89261	78108	60831	33787	89903	59787	76898	72982	45450	89272	138721	130455	96860	69797	58962	68004	85941	68529	50210	75499	100108	77080	65336	78695	97663	63626	115412	88978	115823	63622	39251	76517	40781	54725	0	0	0	57414	30503	0	74423	66317	67543	66379	66600	0	133103	95031	45259	80124	79687	24897	73126	50571	103425	83286	33946	67295	74828	45894	68530	122327	68332	60833	63168	87779	42000	65747	0	56668	71327	34556	59134	38580	71010	58408	99034	74259	74164	41237	55378	38786	87697	103633	102371	42603	60386	0	68620	73117	54917	81808	88973	104019	42038	88413	44164	64146	73222	0	54370	80615	Lipid	0.3	1.4666667	0.0
26	C34 H44 O6	549.32104	549.32184	0.07669414	549.3211	9689	11849	9777	10781	6908	0	9548	18642	5872	3619	13517	9339	7288	6491	13129	22271	23993	0	7540	7911	0	7664	11227	15785	13499	23158	9713	15338	13999	25615	12351	13752	13248	9648	3863	21178	12820	10922	23117	10013	10570	6812	0	0	0	5584	0	0	14765	17214	10882	13471	6855	0	10875	18801	10267	14951	12990	10275	16701	7592	2444	6492	5270	5375	9230	25899	15819	8843	18188	6713	10113	21861	14853	15826	0	8814	17466	10312	13743	3750	13371	12111	15474	8904	19842	5642	8259	23195	7971	10318	20225	9441	0	0	10298	13622	7405	31154	27910	22598	8708	14142	0	12459	10473	0	14606	2450	Phytochemical	0.1764706	1.2941177	0.0
28	C34 H44 O6	549.32104	549.32184	0.14240775	549.32117	4815	4495	3222	4799	2083	1086	3217	6267	2609	816	3741	2600	2933	3751	3708	4586	7898	0	2523	2460	0	2375	3248	3273	5075	11411	5706	6272	5191	6741	5740	4386	7240	3550	0	10235	5677	3004	5007	2267	2326	0	0	0	0	0	0	0	3830	7165	3787	3827	1855	0	5333	7724	3113	7414	2865	1404	7181	1480	1332	3057	1220	1331	3591	6429	6327	2308	5158	1912	2400	7011	3873	4108	0	2591	8964	4607	3126	2561	4706	5326	5743	2015	11099	0	1846	5606	4037	3286	4894	4478	1964	0	3406	3134	2807	17584	20281	8570	2233	5899	0	4612	3248	0	4333	962	Phytochemical	0.1764706	1.2941177	0.0
24	C34 H44 O6	549.32104	549.3218	0.08934525	549.3211	6550	7193	5358	8148	2246	2063	9027	6866	4654	0	7156	6425	2569	2899	4992	12566	18248	1712	6029	5295	2866	3257	5485	8331	8180	9120	7030	7613	8416	12746	7754	8176	6657	4498	2390	11667	5526	7118	25333	2760	5671	2481	0	0	0	0	2622	0	10447	9439	5985	7157	4600	0	6458	6637	5159	8117	4633	9401	9947	3637	2912	3858	3527	1411	4534	23620	6534	6703	10374	2531	4362	10850	11325	10053	0	5704	11422	4683	10106	1730	5831	6352	8937	5149	13874	3589	5448	22129	5104	8158	8995	3345	2010	0	5195	5751	5473	13867	12113	7749	4720	11568	3119	9840	5534	0	8903	2239	Phytochemical	0.1764706	1.2941177	0.0
24	C31 H48 O8	549.3422	549.34296	0.08100149	549.3422	15953	13311	16326	15672	14577	9785	39574	15362	20190	6336	8863	9008	12498	16612	13471	17076	20449	16947	29848	6765	4447	8035	12431	9112	16955	6536	31308	9626	19512	14770	11967	18955	21369	11787	8744	24631	24290	12591	19450	6333	4831	7771	0	0	0	6176	3212	0	21920	12496	16183	14248	15361	0	33862	21045	12936	18511	12825	5847	21129	3788	18027	15229	15246	12630	16083	20969	6240	9820	9242	9912	12514	18476	14681	20778	0	9529	18557	9356	12384	7026	26266	12906	29176	21299	27819	9936	14435	16870	24133	24273	19610	8328	7701	0	17153	18228	12233	31817	35576	28772	11328	15307	7766	15841	24798	0	17838	16184	Lipid	0.2580645	1.548387	0.0
28	C31 H48 O8	549.3422	549.34296	0.1191853	549.3423	5329	6160	5713	6245	8779	2888	21840	7419	9997	2704	4100	1829	6211	5792	4675	5199	3090	5126	11949	4657	4205	4132	4198	5401	12839	4594	15909	8182	10590	7623	4670	8884	17564	6129	4855	10800	11370	9083	4155	4230	1407	3401	0	0	0	4100	0	0	8574	6420	4835	6926	6021	0	15572	8376	4206	7392	12633	2771	8877	5102	6961	5026	4486	4987	8270	7125	0	5047	2275	3377	7743	6957	0	5082	0	3779	7898	4174	4522	2852	10992	6064	14506	9337	13252	2168	4452	5221	15243	13863	8842	4358	0	0	6207	6255	7367	12766	16031	11845	3169	7348	7810	8039	9470	0	6461	5162	Lipid	0.2580645	1.548387	0.0
26	C31 H48 O8	549.3422	549.34296	0.041931853	549.3422	22653	23613	21750	21789	25298	14350	50758	25856	35018	10737	14841	14437	23671	22758	23111	27116	21015	25273	51776	22387	14606	21765	19490	19812	29230	10000	48046	22427	34047	24678	24114	29151	48319	23673	16471	33177	36446	22189	23806	17308	4804	15000	0	0	0	15774	6832	0	28643	24578	23760	24699	21024	0	53202	35118	22315	34133	30848	8914	31648	12600	25396	25314	15533	20819	25206	23024	6967	19603	8869	13494	25014	29685	13349	27708	0	15054	26880	12522	16891	14694	41700	23275	44245	33635	31417	13008	20854	22048	46281	48355	38046	13122	7794	0	24034	24501	18699	42492	42865	41262	10183	33073	18847	23291	32889	0	24821	21385	Lipid	0.2580645	1.548387	0.0
28	C32 H52 O7	549.3786	549.3791	0.24729876	549.3787	1101	0	0	921	0	0	24102	0	0	0	1703	0	0	1782	0	0	2999	0	0	0	0	0	0	0	0	0	17398	2258	0	4051	0	3259	15441	2204	0	2762	4270	0	3351	0	0	0	0	0	0	0	0	0	1341	3333	1346	1361	0	0	0	0	0	4018	2176	0	3218	0	0	0	1888	0	2417	7125	0	0	0	0	0	0	0	1872	0	0	0	0	1561	0	2268	2001	0	0	1324	0	0	1127	2697	2961	0	0	0	0	1143	0	0	0	0	10651	1264	0	0	1836	0	0	0	0	Lipid	0.21875	1.625	0.0
26	C32 H52 O7	549.3786	549.37854	0.051101383	549.3786	0	0	0	0	0	0	25682	0	0	0	0	0	0	4666	0	0	0	0	0	0	0	0	0	0	0	0	24556	0	0	0	0	0	2388	0	0	0	2552	0	3550	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6860	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4642	2240	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21875	1.625	0.0
18	C23 H19 O15 N1	550.08276	550.08374	0.27559862	550.0829	5971	3614	5514	2457	12985	4439	0	0	11541	2902	0	878	21006	1465	0	0	0	6479	6815	0	3427	10679	2264	0	0	0	0	0	0	0	0	0	0	0	2754	0	0	1647	0	2178	5055	2321	395	0	0	6432	23836	550	0	0	3128	3171	5532	0	14364	11383	3512	0	0	1103	0	5089	23154	13827	2235	12106	3859	0	2002	0	0	0	0	0	0	0	0	0	1568	13424	2113	10496	0	0	15116	2413	1465	2503	3115	0	0	0	0	18299	11165	0	5761	0	15112	11645	17702	2389	0	0	16442	1601	9604	0	0	18848	Phytochemical	0.65217394	0.82608694	0.04347826
26	C23 H19 O15 N1	550.08276	550.0837	0.18207337	550.0828	4040	3887	3774	4290	9374	6328	0	0	10265	4088	2989	0	21940	2191	0	0	0	14152	10545	0	6953	12151	0	0	0	0	0	0	0	0	0	0	0	0	8479	0	0	0	0	2962	5033	0	0	0	0	5250	23834	0	0	0	3538	4259	5141	0	19073	10540	0	0	0	0	0	5348	22928	13897	0	8027	1997	0	0	0	0	0	0	0	0	0	0	0	3450	0	3922	9168	0	0	14408	0	3290	0	2307	0	1336	0	0	12945	9882	0	4450	6303	7193	7586	12193	0	0	0	14093	0	9763	0	0	25133	Phytochemical	0.65217394	0.82608694	0.04347826
24	C23 H19 O15 N1	550.08276	550.08374	0.26094145	550.0829	2671	2137	3222	6019	7044	4084	0	0	10969	3399	1293	1143	27498	1724	1375	0	0	12343	9305	2074	4872	9238	2930	0	0	0	0	0	0	0	0	0	1191	0	4583	0	2246	0	0	1201	2774	2037	0	0	0	8558	20728	0	0	0	2340	2703	4175	0	8798	13485	3221	0	947	0	0	6022	20773	10545	4006	9188	1642	0	0	0	1529	0	0	0	0	0	0	939	1308	8820	1971	7426	0	0	13130	6032	1719	1710	4423	0	0	0	1351	10017	6908	0	3427	4644	7252	10852	12887	1898	0	0	17984	1548	9575	0	0	22638	Phytochemical	0.65217394	0.82608694	0.04347826
22	C23 H19 O15 N1	550.08276	550.0837	0.25483474	550.0829	1500	4694	2066	2904	10408	4075	0	0	12490	0	3027	1592	22880	0	1546	0	0	10556	9940	2545	6400	8897	4138	0	0	0	0	0	0	0	0	0	1398	0	3170	0	0	0	0	0	0	1298	0	0	0	8503	25738	0	0	0	4427	5064	4560	221	14647	15898	5212	0	0	0	0	2732	19533	10582	4650	12058	2163	0	0	0	0	0	0	0	0	0	0	0	3620	8848	3052	8833	0	0	16248	4768	2970	2736	1395	0	0	0	0	12560	6393	0	3552	3742	11472	15024	13044	0	1612	0	15887	0	9000	0	0	20654	Phytochemical	0.65217394	0.82608694	0.04347826
28	C23 H19 O15 N1	550.08276	550.0836	0.26054716	550.0829	4492	5006	6106	4377	10549	6109	1852	0	9253	4119	2393	800	24055	2489	0	0	0	14649	11710	4178	7475	10557	3096	0	0	0	0	0	0	0	0	0	0	0	9004	0	2130	895	0	3224	3620	0	0	0	0	7038	20996	0	0	0	4431	5146	6262	0	15886	9937	3281	0	0	0	0	3871	20018	11946	4969	8431	2182	0	2877	1627	2158	0	0	0	0	0	0	1125	4015	6241	2945	7963	0	0	15969	2990	1088	2190	3389	1550	0	1029	1731	8672	11141	1311	6352	4993	8561	10852	11057	0	0	0	14461	1489	6918	0	0	20857	Phytochemical	0.65217394	0.82608694	0.04347826
12	C24 H23 O14 N1	550.11914	550.1202	0.29126236	550.11926	14922	17248	14540	16580	24522	6490	0	3606	36564	24300	15294	4186	50628	5226	4206	0	5142	36214	26718	15442	44926	64310	12872	7072	0	3576	0	0	2912	2346	2620	0	0	0	64284	1195	4812	3478	7726	17966	40168	9926	0	0	0	45550	94054	0	0	4576	12288	18706	12104	0	42044	27016	9950	5640	0	0	0	9334	53730	25430	9026	31638	5542	0	0	0	12366	3282	0	0	0	2230	0	0	9588	41400	9164	28154	0	5238	38524	11636	9118	6362	7136	16866	0	7520	0	68746	40844	0	18508	15792	25116	29962	31168	12540	2626	0	65536	4642	23932	0	2778	52606	Phytochemical	0.5833333	0.9583333	0.041666668
22	C24 H23 O14 N1	550.11914	550.12	0.26472834	550.11926	10524	9074	11126	8228	17437	12201	0	2327	20369	19631	5548	1653	32623	6272	3483	3276	0	21880	15124	11359	19192	29049	3188	1616	1970	1872	1362	2218	1679	1414	0	0	1794	0	20339	1203	3810	3585	1482	9476	7573	4342	0	0	353	39528	61684	0	1831	1257	8910	9560	9994	245	26088	18350	6132	1905	0	3453	3714	8334	27238	17843	4466	15339	8919	0	4638	5052	6885	1798	957	0	0	0	466	3295	5571	14461	6093	33498	4381	4670	27468	7930	1662	5019	2103	2450	4253	0	1820	23924	34292	0	6702	9810	16835	17900	14011	0	1670	1792	50254	2052	14825	0	1775	29479	Phytochemical	0.5833333	0.9583333	0.041666668
28	C24 H23 O14 N1	550.11914	550.11993	0.24482524	550.11926	3805	3675	3978	4642	8320	6030	1459	0	7903	10037	2885	1272	15342	2269	0	0	0	10796	8576	10675	12629	9349	2619	0	0	2682	1567	1396	0	0	0	0	1152	0	12251	0	2235	1195	0	5347	5176	2603	0	0	0	19299	27040	0	0	0	4202	5480	6035	0	10795	6735	3142	1372	1701	0	0	6304	13683	7133	2860	8561	2819	0	3798	5002	5714	0	0	0	0	0	0	1188	3281	7508	2582	11766	1299	3751	8933	5248	3758	2365	1402	0	2287	2924	2697	11466	15658	0	5318	4474	6560	4338	3537	0	0	0	17923	1438	5587	0	0	14349	Phytochemical	0.5833333	0.9583333	0.041666668
18	C24 H23 O14 N1	550.11914	550.12006	0.2323711	550.11926	26953	21303	22522	20572	32083	15423	3102	2533	34368	27875	14078	4992	68589	8708	6442	7947	1361	40998	31534	27517	35707	62527	10763	10141	4068	3164	3183	6822	0	1940	1517	0	8978	0	35068	2475	6226	6386	2804	22634	25685	10973	948	0	0	65545	89899	0	3928	3486	19248	18393	18822	0	52592	33354	13837	4245	9066	6147	5671	30782	62939	33585	13649	37796	11385	1797	7065	7624	8921	1485	2040	2237	4529	0	293	5222	10299	39254	10813	59108	4425	6191	41566	22098	15252	7511	10416	4519	4473	12219	14702	62157	71468	0	18230	24675	29923	28938	37185	5235	4087	7523	61241	3821	34222	0	4782	58331	Phytochemical	0.5833333	0.9583333	0.041666668
10	C24 H23 O14 N1	550.11914	550.1203	0.41853562	550.1194	6038	7470	8234	5490	8494	1906	0	0	14932	14984	9236	0	20917	3816	870	0	3644	14064	8508	6416	18560	20418	4820	0	0	1191	1850	0	0	2194	0	0	0	0	21720	0	2216	2796	0	9334	12210	3292	0	0	0	11526	32134	0	0	0	7188	5552	4007	0	11952	17677	5219	0	0	0	0	6502	30402	16384	5342	14762	0	2748	0	0	6102	0	0	0	3064	0	0	0	4348	0	4276	8302	2208	0	19601	5798	4572	3740	3242	3312	0	0	5548	24590	16410	0	5738	8108	12000	19023	17508	3778	2418	0	0	3558	15571	0	0	26342	Phytochemical	0.5833333	0.9583333	0.041666668
14	C24 H23 O14 N1	550.11914	550.1202	0.2756466	550.11926	31110	28332	36226	26068	39506	18512	0	4620	57116	47806	38546	4884	93656	15840	11602	8606	4038	48734	47052	45854	79264	103864	13682	7166	7638	3846	6016	0	6478	4934	2520	0	10326	5288	65574	3788	9914	10474	5904	38460	54896	15822	0	0	0	75032	176496	0	0	1686	21962	27896	23290	0	61160	51088	19306	0	13108	0	0	40958	101764	61452	16510	42972	22734	11052	0	13116	23622	0	4042	0	5062	5072	0	6369	13918	57212	14832	65914	2294	13932	65586	22564	27226	18012	18258	21280	0	12568	15218	107156	96222	0	27822	22750	40228	49030	61472	11260	5730	0	101046	14300	45462	0	0	67042	Phytochemical	0.5833333	0.9583333	0.041666668
26	C24 H23 O14 N1	550.11914	550.12006	0.1643496	550.1192	5990	4216	6767	5375	7736	5963	0	0	9323	15075	3065	0	15891	3805	0	0	0	18685	9141	12174	11988	10688	0	0	0	0	0	0	0	0	0	0	0	0	12107	0	2607	0	0	5477	6488	0	0	0	0	23212	28031	0	0	0	5733	4694	3883	0	17959	8011	2949	0	0	0	0	3603	13965	11055	0	9613	2257	0	0	3453	5164	0	0	0	0	0	0	0	3292	0	0	15116	0	0	7242	0	3251	0	0	0	1779	0	0	10340	13313	0	4236	0	8036	3814	6701	0	0	0	19809	2403	6064	0	0	19998	Phytochemical	0.5833333	0.9583333	0.041666668
24	C24 H23 O14 N1	550.11914	550.12	0.26458868	550.11926	5807	7460	4447	3077	8629	6603	1292	0	12120	8903	2745	1775	20861	1942	2662	0	1337	18002	11030	9968	11864	15916	3291	1901	1472	0	0	0	1402	0	0	0	1147	0	16362	0	1951	1569	0	7882	7732	1620	0	0	0	24769	42805	0	0	0	5035	6734	6808	0	16215	10262	3426	1326	1765	0	1683	5648	20081	6270	1789	10095	0	0	4799	3544	2798	0	0	0	0	1094	0	1553	3525	11713	5402	21777	0	3108	13550	8840	1478	2321	2067	0	1869	2433	2542	18996	24602	0	4455	5685	8022	9020	8837	0	1315	1622	24598	2186	9488	0	1388	19021	Phytochemical	0.5833333	0.9583333	0.041666668
16	C23 H23 O13 N3	550.1304	550.1312	0.15687004	550.13043	3878	11352	0	4289	8467	6428	1106	0	15865	14195	5351	2263	13734	3374	4113	2007	3260	9168	8037	6877	12229	19035	5552	3315	1393	0	1492	0	0	0	1613	0	4647	0	20474	0	2487	3596	0	11924	6593	1743	327	0	0	15142	27829	0	3889	0	3703	6132	5583	0	12790	6907	6033	1793	0	0	0	8305	14402	10680	5556	9343	2370	1903	0	0	3808	1239	1500	0	0	1356	0	1601	5732	0	2929	13993	0	4292	13191	3282	5581	2547	3796	0	0	6000	0	16614	20851	0	2294	6058	11756	8814	7963	4396	1531	0	10719	0	10043	0	2767	24322	Peptide	0.5652174	1.0	0.13043478
12	C25 H27 O13 N1	550.1555	550.1565	0.242852	550.15564	20017	18978	21089	23077	17647	13658	8811	13827	22769	61417	38564	9860	34774	6725	11735	12973	14470	24665	22853	53107	54870	51278	17089	19723	5043	14121	5274	16629	7302	11292	13276	10198	14461	6323	82262	11915	13683	10075	15131	35785	45911	9395	432	0	0	47712	71444	0	7724	12404	19467	26797	15102	0	28891	17645	9389	11415	16085	15378	29883	28887	42782	20101	6643	21500	12665	17379	16950	24889	21798	10797	9039	8178	12318	7508	0	9311	14665	29722	12808	36098	9582	18618	24539	10529	14442	9564	8731	19241	3108	13373	16914	57099	39992	0	21307	25186	18881	16949	17244	18274	9975	21517	55224	17179	15108	0	6343	32651	Phytochemical	0.52	1.08	0.04
10	C25 H27 O13 N1	550.1555	550.15656	0.29998377	550.1557	10014	8402	9386	13123	6400	3635	2522	9602	11663	30413	17701	5487	17008	2579	4538	6800	4808	10268	13191	19201	25903	24748	8422	8907	2488	7202	3228	7436	3413	5548	3697	5775	7805	2758	45855	5035	3532	4398	3971	15318	24250	4741	0	0	0	19240	35669	0	6520	6191	13003	13564	5454	0	17266	9431	6364	5842	6224	7024	12094	18906	21897	10364	4389	11616	5051	6523	9412	7316	10276	4582	3903	4790	5194	6106	0	3955	7417	8802	6489	16187	4409	9354	13512	5946	8941	3715	5847	9857	0	9830	12810	23650	20354	0	11250	11978	9080	10589	10146	8413	4813	7544	24797	6862	8679	0	4342	17891	Phytochemical	0.52	1.08	0.04
16	C25 H27 O13 N1	550.1555	550.15643	0.21237364	550.15564	46508	51968	44031	47199	37023	30771	20810	27073	47363	125131	59377	15779	92127	22929	26707	25519	14710	67058	61879	117364	105206	118045	36819	26995	24258	31812	11896	37845	24049	15383	18875	22752	31558	18743	180544	27226	32151	18231	17072	81474	61162	27395	877	0	0	122585	121153	0	25466	22548	48593	44912	34390	0	80994	40746	23835	26450	29030	19721	39091	58553	89982	46614	20086	54685	31138	19960	41321	47864	48711	26682	18551	24827	14325	19451	0	18977	33987	70658	27109	96134	20233	50347	50806	31861	27000	21976	28800	0	28945	41327	0	92224	133954	0	44844	54527	46247	34970	47635	29798	13997	34728	115884	22877	47621	0	13226	73550	Phytochemical	0.52	1.08	0.04
24	C25 H27 O13 N1	550.1555	550.1564	0.26196143	550.15564	8406	10212	10071	6663	9354	9150	0	2147	12186	22536	6922	1558	27851	4963	3444	3560	0	15135	12569	18218	22763	16734	4130	2553	4117	8876	1351	2965	1572	2016	2888	1595	1745	1907	32896	1875	1188	3311	1665	12336	10580	2518	0	0	0	35859	44547	0	1739	2630	8209	9305	6464	0	17671	7304	3816	1174	3272	2913	3413	11861	17761	12443	4640	7132	3473	0	11818	12643	10033	2471	1716	2257	1360	0	0	1777	5662	12852	2708	25926	2848	6180	11272	5020	5966	2737	3005	0	0	6390	4053	14178	31550	0	10715	9747	7704	6385	7385	1952	2121	2467	34216	1645	10281	0	2959	25647	Phytochemical	0.52	1.08	0.04
18	C25 H27 O13 N1	550.1555	550.1564	0.16273774	550.1556	161984	168055	156014	152855	133912	79030	59585	116738	176007	481842	169194	53229	276705	57209	68344	77213	18794	171594	210751	312720	320800	300248	98485	85098	73292	106006	43338	82294	68471	49161	86060	24283	83117	13370	551642	21389	94049	76965	39976	209990	169809	53896	1834	0	0	424237	364694	0	76813	49526	176639	158425	120892	0	223783	116984	67657	50101	95073	18676	55675	156954	317953	169768	65801	174549	91673	67867	99092	194761	170334	77384	57396	51435	43621	74619	0	48913	94087	157301	99819	323766	69048	141668	192731	109701	92888	63746	75084	30510	88774	129197	116079	204994	315493	0	182635	145668	190328	126343	127905	80330	56289	77548	276723	78410	143123	0	60409	206275	Phytochemical	0.52	1.08	0.04
20	C25 H27 O13 N1	550.1555	550.1564	0.21410447	550.15564	34257	30602	32663	27549	38337	28743	12256	23756	46278	93291	29069	9477	77982	27819	15493	15777	6706	64555	57089	78005	88098	68980	16397	14586	15129	25102	9441	17429	13793	8204	12739	10717	11590	11288	100946	10639	25386	13572	6299	52161	32899	12114	0	0	0	135959	116474	0	12438	16590	29428	41927	28581	0	59399	37725	16908	11093	19551	7254	21198	44266	74395	41375	19297	35971	24541	5931	35268	40093	31711	12866	8004	7089	5196	6825	0	13414	19793	48094	13710	77066	12930	38192	47846	25585	18647	11716	15197	11030	13157	18838	26499	55191	77308	0	35200	36928	44298	30104	30464	18901	8461	18658	112861	17196	40345	0	12032	72004	Phytochemical	0.52	1.08	0.04
26	C25 H27 O13 N1	550.1555	550.15643	0.22189195	550.15564	4781	5049	4350	4180	4761	4136	0	0	6245	19710	3172	0	11528	0	0	0	0	12667	5837	12242	12715	9840	0	0	0	0	1853	2787	0	0	0	0	1854	0	14928	0	0	0	0	6805	7719	0	0	0	0	19010	23157	0	0	0	5670	4031	6084	0	7707	0	0	0	0	0	0	5271	15192	6560	0	8272	0	0	7305	11258	9762	0	0	0	0	0	0	0	3399	0	3954	14049	0	7445	8339	0	2118	0	0	0	2463	0	0	6103	16929	0	6874	5166	6764	3187	0	0	0	0	15167	2040	5039	0	0	16651	Phytochemical	0.52	1.08	0.04
22	C25 H27 O13 N1	550.1555	550.1564	0.24828412	550.15564	18511	19277	16097	14430	21766	14751	4267	7304	25081	46661	14330	4405	43412	8752	10166	5494	3596	36638	24678	35746	31208	33639	13009	8952	5208	13311	3688	10070	4609	3613	6249	4898	6747	4144	59151	2284	6872	5574	3419	27894	17118	7503	0	0	0	73987	80737	0	3726	5001	16433	18645	11950	247	36700	23886	9631	5285	6778	2967	7057	24761	38314	25401	8531	24410	11373	3650	19112	20148	18846	4980	2803	2392	0	3160	0	3577	8192	22447	8210	55088	6167	17524	30186	20228	7893	7021	7151	3636	10066	11433	9358	32870	46792	0	16882	14625	24513	16844	20118	7289	6507	5451	61297	6791	20203	0	8321	39851	Phytochemical	0.52	1.08	0.04
14	C24 H27 O12 N3	550.16675	550.1676	0.109688446	550.1668	49803	52857	44560	54688	45839	23667	37341	62008	51876	60553	29017	36767	53331	0	30768	41043	33564	45318	49849	52573	58472	88598	49128	47529	37125	6329	26472	0	44586	22251	45400	0	57901	31098	80988	30951	51920	41457	43233	74825	56818	17358	0	0	0	67089	82968	0	51894	38754	35001	50272	20160	0	55070	32450	19949	52905	39528	0	70767	61465	53979	35460	20128	49058	37167	33974	0	30802	26930	39915	36615	36269	38927	40395	0	32993	56974	0	50430	73077	28449	31405	42825	25443	53417	26045	27297	72126	45114	52467	99126	54951	58934	0	61420	45300	32042	38001	29633	49374	36566	47448	0	56418	31295	0	37734	62324	Phytochemical	0.5	1.125	0.125
10	C24 H27 O12 N3	550.16675	550.1677	0.23521821	550.1669	17790	14334	15328	14803	7555	4808	9826	15591	10195	10997	8638	14723	18621	3492	11127	14516	15567	13600	14769	14543	12024	27283	12667	15199	6698	0	9018	4686	10801	9521	9541	13970	16504	12147	25332	11599	13167	12113	15476	18632	22223	6979	0	0	0	25466	27251	0	16924	10729	16076	12534	8268	0	13297	9859	7902	13762	12463	12288	15951	15153	20595	13379	5753	14068	9447	15767	0	3412	4068	12928	10628	10514	10936	13380	0	8259	15096	5898	10709	14359	7183	5454	12663	7941	11721	6521	8496	23482	4223	13696	26333	16054	16123	0	17284	16519	8075	10815	7725	13706	9110	12059	16401	14991	9902	0	9909	20594	Phytochemical	0.5	1.125	0.125
12	C26 H31 O12 N1	550.1919	550.1929	0.26504332	550.1921	21841	25161	31153	22034	13587	11006	17165	36168	16396	61511	29419	15700	23218	7378	18492	19539	21819	20378	20921	48082	50513	41493	23552	26956	15087	22224	16083	18971	26291	20935	24475	16927	28259	18468	82106	18651	21109	14966	22542	49682	43218	8533	436	0	0	47832	51365	0	19936	20620	28228	27836	14453	0	26949	12804	10005	23485	23770	14518	21898	31265	28399	22008	6899	24389	13686	21873	20670	29462	33026	21280	17228	18441	13976	17366	0	17621	19241	18433	17653	26920	18928	30530	21729	11374	19540	9463	11129	24562	18420	23760	36247	36349	35257	0	31020	30967	20100	13210	18073	25194	11677	26103	32199	20014	12608	0	16281	23419	Phytochemical	0.46153846	1.1923077	0.038461536
26	C26 H31 O12 N1	550.1919	550.19275	0.14729923	550.19196	7864	6587	7450	8453	8754	8364	0	0	10888	26754	5532	0	19264	3372	0	0	0	13199	12140	17736	23270	11668	0	5473	0	11867	0	3184	0	0	0	0	2974	2680	30774	0	5331	0	0	19913	11967	0	0	0	0	16987	20572	0	2289	0	8367	9324	6373	0	12358	7151	0	5097	3655	0	0	9736	16175	8446	0	10091	2418	0	9142	23472	21070	2861	0	0	0	0	0	0	7118	4904	4522	13727	0	8024	9660	0	5201	3493	0	0	3216	6565	6067	7000	15500	0	5745	6214	6722	7309	7048	0	0	0	12796	2318	7480	0	3623	19368	Phytochemical	0.46153846	1.1923077	0.038461536
22	C26 H31 O12 N1	550.1919	550.1927	0.1494493	550.19196	63288	69185	75056	65565	74132	51836	21715	45619	92384	201710	60365	25861	117367	34668	50716	49399	20359	120766	90304	154924	138283	93977	54728	46448	41349	105299	14842	56373	48441	33185	33675	40458	46642	35422	226567	32549	58801	36522	20391	106605	55273	34210	0	0	0	158387	122047	0	40351	35802	74733	78862	47819	462	99012	62756	26143	36096	43290	18172	37160	78091	109295	73944	30382	75812	41471	18063	73510	171194	102511	41666	32050	38698	22682	30898	314	30682	49518	47483	45487	95774	28257	64205	83605	41970	35627	30718	30303	19620	43149	65035	59901	63015	114921	0	73747	77290	66634	51038	53493	37491	28964	50710	105548	35245	63355	0	29856	115144	Phytochemical	0.46153846	1.1923077	0.038461536
20	C26 H31 O12 N1	550.1919	550.19275	0.15924215	550.192	195845	169935	192043	182471	168786	141369	86374	163313	233895	966009	205072	66232	292566	93750	149137	140746	63785	243087	288232	461317	365148	250754	170243	154259	129851	266089	67594	169783	133556	133614	137252	111079	140300	122128	973068	135631	150441	97452	67002	302817	155967	81904	5048	0	0	441328	259591	0	124513	125904	168094	182632	143813	0	262446	141272	84914	121564	135440	69411	119319	186993	254495	191323	82176	165986	114840	77324	186381	412661	284361	151487	114068	133416	72791	112731	0	115604	152024	95636	115638	215081	105407	205646	158841	114114	117482	66487	95548	80370	147976	185164	188244	143507	220527	0	195640	184318	158101	133434	144225	132418	90546	137066	258379	125939	146328	0	83400	302096	Phytochemical	0.46153846	1.1923077	0.038461536
16	C26 H31 O12 N1	550.1919	550.1928	0.20258273	550.192	71817	73458	70419	73101	49625	39345	42412	70031	63691	192661	85850	39234	90826	26218	58480	58652	41336	84603	101067	194392	161259	111802	58752	67420	48424	92649	30150	60205	67446	56169	65992	61030	69986	50389	231946	67344	68498	38327	47793	138103	87665	37602	1422	0	0	135562	113579	0	66002	71460	73400	73037	39929	0	80827	51324	28715	63831	68424	34143	84962	87802	83192	62101	26799	63765	49527	35060	83258	118610	100988	70714	52510	65871	42766	51734	0	42657	51016	67914	40057	86234	57921	91148	67140	36360	42002	38611	36599	53213	60115	88374	126971	80311	125911	0	81789	87174	43847	34419	44826	64887	36317	68532	92315	55733	46942	0	44849	78317	Phytochemical	0.46153846	1.1923077	0.038461536
8	C26 H31 O12 N1	550.1919	550.193	0.25693402	550.192	5544	8912	5358	5416	4562	2462	1203	4002	3841	18225	5390	3292	8330	1626	3741	7002	3130	4094	6035	8860	12530	15173	4136	5080	2765	2018	1671	4090	4789	4211	2980	2426	4159	4690	21395	3457	5123	3112	4081	9568	10490	3237	0	0	0	7943	6962	0	3626	3294	5866	6631	2590	0	7300	2805	1893	0	3173	4402	0	4652	7061	5075	0	5277	2654	6811	6470	4480	8073	4203	4174	2541	2436	3110	0	2562	4300	5270	4119	5294	2864	4313	2907	0	5007	2022	3026	5040	0	0	7184	7180	10396	0	5716	2818	3985	4841	3200	4551	2226	8070	8225	3036	4057	0	3620	7458	Phytochemical	0.46153846	1.1923077	0.038461536
24	C26 H31 O12 N1	550.1919	550.1927	0.2022683	550.192	14548	14471	15853	13014	15453	12301	2902	10493	23606	45861	17293	5092	43462	10313	7951	7382	2801	23894	23222	40618	44172	15935	11074	8986	6442	23867	2236	7918	9271	4372	7007	6471	8230	5466	40232	4821	10065	8666	3938	29142	13830	5357	0	0	0	48344	41664	0	6303	4242	12990	16623	13887	0	20828	17220	6849	12180	8724	5345	6588	16265	29653	17741	5249	17973	9770	4282	21706	33769	33069	10534	9369	5368	4989	4314	0	6766	11817	7566	11973	25571	3495	15621	22801	14158	10362	6040	5467	5602	8347	8837	13005	16107	32078	0	19801	21297	13514	14167	15541	5578	5257	11647	36298	7922	15823	0	5153	36574	Phytochemical	0.46153846	1.1923077	0.038461536
14	C26 H31 O12 N1	550.1919	550.1928	0.19086462	550.192	49542	41289	51082	51337	27784	24591	27957	59187	34399	117499	65989	25001	48858	18772	31111	39051	33406	38918	50062	110334	102870	88251	44290	48657	34581	56976	25769	57130	43277	40455	32416	38453	49202	35945	151460	43200	41550	31638	32171	89542	77864	22963	0	0	0	81431	90767	0	38975	43790	47144	46671	30368	0	54634	27696	18626	46720	53356	23291	63400	64182	41871	38972	17388	39278	29017	35065	60082	66207	57155	42115	40236	41274	27133	37066	0	29174	33513	55648	32107	54207	30971	58000	28950	23514	32986	33350	27166	47164	42504	50586	56923	54489	80164	0	50686	50428	31912	26882	25655	64178	27416	60657	67730	36748	26424	0	30158	44067	Phytochemical	0.46153846	1.1923077	0.038461536
8	C25 H31 O11 N3	550.2031	550.20416	0.19238968	550.20325	14066	12829	16373	15490	6081	5266	10770	19698	7730	14485	7378	8955	10907	2714	11877	17779	14294	7688	10503	14932	13316	28840	11342	22055	9346	1266	8853	0	12987	10023	14108	16043	17962	11289	17794	12128	17241	11650	21721	16422	14469	7431	0	0	0	18574	15063	0	17764	16187	17132	14661	6412	0	13129	7027	4963	18898	13775	11895	18958	10350	13016	9640	3766	9502	6385	22318	0	3210	4783	15802	15700	10866	9225	11612	0	10448	12952	7218	8978	7875	9934	9732	6627	4538	14715	6829	7145	30898	14150	19910	31848	9912	13568	0	16137	13359	5314	7532	7068	15221	9216	17601	0	14958	5718	0	11392	12367	Phytochemical	0.44	1.24	0.12
20	C25 H31 O11 N3	550.2031	550.20355	0.29787725	550.2033	34053	29595	33979	32467	24311	23019	16013	33523	39457	207667	46165	10641	44761	13938	24185	28946	12260	37164	48783	80731	59477	45893	32275	30987	22934	67365	14417	43741	24699	25270	26826	19937	23304	22684	212424	24751	33639	16942	12618	53392	37284	13255	653	0	0	75435	41455	0	29316	22015	28128	37663	26031	0	41368	23179	20651	23366	24435	12097	21330	31689	44521	30734	13196	26974	20401	16893	50648	93728	83702	28776	21437	24265	10868	19966	0	25314	28133	17349	22041	34377	20093	38477	25352	18796	21727	11684	17958	24579	27397	33047	42651	22048	37603	0	35330	29914	26760	22803	22483	22013	21234	23758	39255	24514	22791	0	14336	51273	Phytochemical	0.44	1.24	0.12
6	C25 H31 O11 N3	550.2031	550.2043	0.28919974	550.2033	7920	5106	5446	8396	2207	2770	4327	8974	3283	5631	2173	4602	4037	1384	4694	8391	7414	4088	6441	5347	7028	10762	4937	10587	3207	694	3954	0	7392	6154	5229	7857	7077	7260	8307	8000	9322	4708	8656	6527	7916	4002	0	0	0	6683	8084	0	6137	7332	7313	6043	3088	0	7207	2843	2531	10921	4279	7304	11894	3267	4284	4587	2579	4444	3561	11683	0	1865	2953	5698	5533	4456	2564	3934	0	4645	5634	0	4117	3870	3785	2197	3246	2339	7237	2941	3037	17288	0	8151	21342	7132	5238	0	6660	8005	1929	2513	3877	6866	4252	9284	0	6443	3033	0	6394	6314	Phytochemical	0.44	1.24	0.12
14	C25 H31 O11 N3	550.2031	550.20404	0.13736036	550.2032	253174	323502	268564	260324	130451	137053	242624	358473	197135	99106	104845	174177	218724	81087	327236	352597	207271	174574	250883	323437	226762	407079	279316	344961	322959	49196	180555	112108	330108	261453	287875	246338	351556	245684	380681	288532	284646	244491	234725	257958	164642	191056	0	0	0	345742	198107	0	272018	273577	260079	302236	155731	0	300474	121988	141562	420998	459616	85471	391860	158963	198173	186793	125316	204168	192790	239887	0	116926	90316	265072	227746	278361	162170	257537	0	35389	270569	0	237052	212773	36539	138144	129234	130382	311123	166592	161592	332865	387038	416732	686026	182953	192922	0	282981	193750	92595	135530	106799	286210	251933	329876	182808	330317	139200	0	336433	197718	Phytochemical	0.44	1.24	0.12
10	C25 H31 O11 N3	550.2031	550.2041	0.1781952	550.20325	28584	22892	21806	17168	9087	8997	18969	29581	14396	19023	11034	19135	15555	4993	24380	26731	27296	16041	21385	19628	18864	30106	22900	31351	20261	3666	21306	5238	24094	21280	22850	23518	28391	19091	25541	22422	29715	18982	25472	25630	23489	12664	0	0	0	21065	19354	0	25814	22308	21909	22959	12760	0	20017	9918	7432	33540	20764	17898	35442	10581	14603	12754	8665	14841	12808	29632	0	9503	6309	23156	21733	19806	21064	21994	0	15602	28156	11417	16467	16299	21941	13450	10024	9033	22748	11464	11199	37784	31463	26193	60407	13121	18110	0	27808	24223	8570	11062	9887	28925	11296	38957	0	30750	9306	0	21276	16056	Phytochemical	0.44	1.24	0.12
20	C30 H31 O9 N1	550.20715	550.20795	0.05353544	550.2072	4075	4816	2175	3668	0	1752	1243	2317	2487	11205	14021	0	0	0	0	0	2382	0	3100	12439	7706	5834	2055	2445	0	26673	0	15617	2867	0	2457	2427	0	1687	15092	1907	1976	0	1833	8853	13650	1573	0	0	0	6752	8705	0	2527	1565	3500	5152	2922	0	0	2701	2525	2429	0	0	4590	5775	3796	0	0	1905	2993	3509	23928	23079	35423	3001	1950	1380	0	0	0	1172	3163	3203	2140	4121	0	8993	2344	1863	3368	2299	3136	7017	3575	3350	6595	4281	7230	0	3911	4004	2258	2007	2234	1970	1881	3279	4473	3623	2378	0	1502	1897	Phytochemical	0.3	1.0333333	0.03333333
10	C27 H35 O11 N1	550.2283	550.22925	0.246081	550.2284	10079	9559	7851	9455	4146	5393	6695	9093	5433	18653	7206	5387	6882	2444	6125	8112	5384	7041	8306	20583	21347	15883	6128	11561	8894	5116	4892	7372	7002	7640	6957	7025	10911	6879	27061	8280	13968	5002	5414	15380	8127	2971	0	0	0	10900	10406	0	9199	7567	9632	8686	5202	0	7457	3298	2284	9903	5128	4362	12465	8070	5213	5181	1623	6752	4651	8918	0	12254	10865	8877	8771	7964	5954	7175	0	5759	8700	0	6750	5917	5646	9029	2223	1825	9176	4866	5189	11033	12394	7131	17010	9201	13518	0	11112	7431	4573	3250	3520	11140	4076	8395	0	6327	4696	0	8731	7825	Phytochemical	0.4074074	1.2962962	0.037037037
22	C27 H35 O11 N1	550.2283	550.22906	0.13972858	550.2284	76628	80506	76145	78354	85434	66953	28159	76869	91264	196641	88903	37062	126480	52398	58644	66664	31582	122473	113804	184868	191711	84687	75268	84927	57204	148038	29446	78375	66522	55422	60503	67800	70077	66786	216127	65474	78119	48345	28527	127925	69216	45618	0	0	0	136300	97720	0	63579	64854	83889	79974	63016	0	107251	86495	40952	67417	60312	29490	73759	89843	116866	80728	36522	92229	54703	33188	122580	219795	149886	72347	56725	59195	38266	48912	0	48749	61938	40986	56672	66310	41647	73103	88839	56776	59288	44995	48308	41374	73133	100209	114443	55103	86193	0	75882	95034	75208	55513	68990	69042	41622	76231	84000	58883	74966	0	42655	118141	Phytochemical	0.4074074	1.2962962	0.037037037
24	C27 H35 O11 N1	550.2283	550.22906	0.119333394	550.22833	37028	38146	35750	33945	38600	61440	8579	28762	39738	94384	33649	15689	82657	22026	22752	32965	10753	49443	60565	90821	80105	36109	31825	33269	18770	73336	5015	27743	23569	20950	18084	24079	24300	21947	94021	20294	28776	17807	13977	53048	30552	17541	0	0	0	59934	46271	0	28319	22672	39559	37131	27180	0	47736	38649	16499	26188	23571	10224	29745	37997	59497	37019	14890	43392	24054	11418	61267	108816	86389	48548	26366	18833	16250	18063	0	16457	72814	14664	28868	32823	14124	27300	47649	25898	71078	19984	19845	16625	24647	31536	33271	20055	41115	0	35594	43913	34652	28599	33296	27518	11999	29688	38416	25261	33067	0	16157	61427	Phytochemical	0.4074074	1.2962962	0.037037037
28	C27 H35 O11 N1	550.2283	550.22906	0.18525556	550.2284	5816	4717	6734	5401	7760	4544	1837	3303	5661	16217	4158	1288	14954	4419	4300	6420	2867	10716	6583	18178	16649	5315	6249	5107	0	15436	0	6319	3888	2824	1926	2309	3395	3974	15600	2082	3852	2108	3139	7112	7025	0	0	0	0	6819	7138	0	3803	3693	5313	5436	4943	0	6525	6069	2558	5176	2368	2487	4772	3617	9718	4318	1194	5951	3689	2080	13232	29400	23929	3896	2292	0	0	1788	0	2880	6525	2781	3619	4463	3116	6946	6446	2150	5085	1571	1623	2267	2880	6366	7045	3191	8052	0	4885	6253	5062	5068	5538	4070	0	5259	3007	4162	3696	0	2479	11534	Phytochemical	0.4074074	1.2962962	0.037037037
20	C27 H35 O11 N1	550.2283	550.2291	0.14571676	550.2284	425981	443692	435890	378184	353977	286155	249950	431579	432194	1436761	423926	242624	495934	217920	372904	378121	225340	423243	466030	1382156	997137	427855	345702	486823	379477	632369	225777	426853	416992	329870	373640	329801	433450	382109	1095014	298850	487351	271394	237768	634441	370751	247511	9457	0	0	506938	304580	0	400234	337185	419897	482961	289969	0	677696	329619	173526	363439	671560	205359	353586	390051	482435	383017	150454	378124	285114	253631	526888	897061	656692	372903	380596	374683	228704	277371	0	261681	395654	195993	318986	295351	276329	410943	336196	263782	322920	213362	264519	317912	544396	467723	610305	246977	334459	0	430109	479258	299185	302001	276117	522867	214228	391569	960979	345745	283549	0	274237	477201	Phytochemical	0.4074074	1.2962962	0.037037037
26	C27 H35 O11 N1	550.2283	550.22906	0.15102425	550.2284	15520	11601	14921	10199	16361	12882	3674	9173	19509	32850	12722	4593	40823	7160	8260	10482	0	23569	19998	39431	35194	13919	10469	10477	0	36172	3349	11512	12845	7074	6965	8485	10017	11025	38513	6755	9918	7990	4962	22402	17378	7704	0	0	0	22073	21556	0	8249	9545	14836	12408	12573	0	23230	16460	7335	10925	5963	3159	13414	12401	26288	14626	3980	18447	9601	4058	25705	51680	45110	12651	8443	0	0	6476	0	4566	15510	8372	12735	12513	4221	14954	15164	9443	11956	6351	6991	6893	7106	10197	16508	7747	18773	0	15506	15208	12439	11799	14868	7057	4582	9363	12034	8743	13177	0	5274	28327	Phytochemical	0.4074074	1.2962962	0.037037037
16	C27 H35 O11 N1	550.2283	550.2291	0.12502962	550.22833	56324	70231	59723	76842	41072	34610	46521	72982	47637	112800	64384	50201	60239	24461	57905	78668	56255	64572	69447	137628	128642	75690	64515	85323	68283	102555	37055	46748	77350	77825	63213	74392	76956	57363	131387	63005	69852	42139	56276	93900	85118	45268	801	0	0	75651	72896	0	71488	68135	71085	75648	38276	0	64479	39934	30857	68515	58560	42365	100299	64837	51690	43776	24552	40932	39292	45557	82540	106884	95089	64368	61599	82429	57963	64562	0	50934	62888	50768	44843	43837	57780	57961	56627	34789	60680	38767	36729	55657	71186	74881	124056	49173	81383	0	64622	83847	38711	33809	39520	72171	38620	86474	46548	71397	44390	0	53055	53862	Phytochemical	0.4074074	1.2962962	0.037037037
18	C27 H35 O11 N1	550.2283	550.2291	0.14251404	550.2284	123295	110957	105197	119672	85793	70297	65358	128574	92993	199726	109129	67020	131544	47365	87372	131241	72191	112349	139459	270812	198703	115974	110875	130366	97437	196826	63845	92393	139030	101210	105563	116841	113117	119329	221072	130312	126659	76562	68245	168735	111899	74806	2469	319	0	154010	107050	0	112469	106574	97158	107480	74201	238	116086	80437	52345	108731	104120	54950	122680	106499	94992	81709	45070	85873	67147	62227	134425	216193	189042	112100	92804	117432	81336	112434	0	77559	89256	66710	86176	83855	79556	102715	98620	67351	75407	60351	72949	73650	99287	116213	159257	65460	132002	430	101846	130335	73437	60501	67884	118821	61984	128681	83454	96225	79138	0	78877	111968	Phytochemical	0.4074074	1.2962962	0.037037037
10	C26 H35 O10 N3	550.2395	550.2406	0.36401463	550.23975	11039	9363	9311	7049	2059	3205	8148	8483	3362	7565	2453	5138	2564	0	8608	6754	5000	2895	7928	6261	8529	15320	7065	15023	12284	0	5914	0	10961	8306	8823	11339	15975	7187	11190	9531	9652	9705	5756	7515	3847	4870	0	0	0	7583	4366	0	9497	7943	8309	8992	2791	0	4309	2569	2235	12118	7397	3784	9162	3560	2752	4708	1863	3774	2717	8683	0	3264	0	8082	5582	7257	3940	6534	0	6706	8143	5921	7162	6222	6780	4731	1297	3339	7551	3669	3820	12284	15414	16496	28788	4454	9870	0	9093	9748	0	2396	3148	8833	5212	12142	0	8642	3759	0	9929	3129	Lipid	0.3846154	1.3461539	0.115384616
12	C26 H35 O10 N3	550.2395	550.24054	0.33668795	550.2397	4693	4689	6861	4867	3932	3249	10305	12300	4872	6868	4342	6809	3220	1719	13315	9347	6442	3597	7505	9667	3612	19989	9359	12257	15064	0	3417	0	14758	6930	12021	8609	14370	8341	6430	7900	10463	10262	6763	9822	7197	3824	0	0	0	7079	3919	0	10470	9377	7285	7498	6191	0	5797	3278	2663	16562	6514	0	0	7286	0	4353	2497	6816	4293	8100	0	3869	0	8105	6776	8769	4320	5952	0	8040	11699	0	6820	6151	10035	6183	1614	2956	9759	4703	5513	15415	18082	16373	26811	5707	3557	0	5310	9460	3845	2739	0	8462	5196	8792	0	11891	2909	0	13476	4001	Lipid	0.3846154	1.3461539	0.115384616
6	C30 H35 O7 N3	550.25476	550.2552	-0.69428086	550.2544	624	0	0	0	0	882	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8850	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37876	0	0	0	0	0	0	0	0	0	0	18808	4957	0	1874	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.23333333	1.1666666	0.1
24	C28 H39 O10 N1	550.26465	550.26544	0.11265163	550.2647	79917	78119	91783	82260	96389	60824	30887	0	86535	154108	74556	34895	134090	0	0	75883	36700	99772	131824	178508	163504	76931	0	83685	58882	180867	33038	68770	73054	0	58730	62718	77367	0	196430	0	0	47956	39596	115307	66338	49579	1901	0	0	0	73499	0	0	0	79386	77252	67937	0	108407	79282	41971	0	61418	26085	83216	65036	108484	82276	28440	100059	0	39439	144515	242073	184821	73123	0	0	41228	0	0	0	80812	35743	62314	53718	44053	72354	98974	52205	0	40595	0	43126	81012	94773	0	41730	73808	0	75543	86379	67250	69089	80142	73690	0	84479	55825	0	0	0	47614	109278	Lipid	0.35714287	1.3928572	0.035714287
22	C28 H39 O10 N1	550.26465	550.2653	0.15330273	550.2648	138731	139479	0	0	138043	108674	68774	150460	146585	226965	133318	66323	154236	112690	114388	0	79098	179148	192463	293984	272812	128915	150455	0	122631	295816	57609	132029	147500	122039	0	142675	134556	0	266918	140759	160095	92047	0	180490	111946	95047	0	0	0	0	104365	0	119822	0	125205	134615	115676	325	184300	139010	72778	127103	107588	55922	146745	115758	168387	127978	66105	133942	96831	0	222142	384736	263915	0	115912	0	78973	100837	0	107756	130109	60154	0	83695	92018	110095	149358	103929	121921	0	90104	76807	150752	163098	0	78967	124026	0	134319	150740	114751	101301	121641	143428	75856	0	93366	0	128078	0	83790	0	Lipid	0.35714287	1.3928572	0.035714287
26	C28 H39 O10 N1	550.26465	550.2655	0.10871793	550.2647	24856	21931	26776	23519	39253	22915	7995	24177	37214	52832	28322	10569	57467	18657	16407	28394	8859	37715	54887	61703	68916	25149	22294	28106	13666	67767	8528	26676	19968	18326	19776	18051	20744	20615	67608	20473	29832	16620	9727	41097	30720	15784	0	0	0	33217	25980	0	21571	20897	29036	28824	27094	0	45011	36483	13706	24790	15073	7219	22302	24772	46512	27578	8061	32653	22474	10683	64120	103687	97684	29280	15921	19523	13306	13434	0	15676	28354	7893	25786	17141	16683	25624	40678	21912	25599	15872	15005	15231	20310	22552	30086	9531	22314	0	28672	33282	24812	31380	35677	24037	9568	21563	17014	17212	23696	0	13758	44619	Lipid	0.35714287	1.3928572	0.035714287
18	C28 H39 O10 N1	550.26465	550.2655	0.08475094	550.2647	72858	69373	64614	61902	43457	40841	50215	90189	45776	74539	51090	52505	53238	31189	59413	91985	56275	64577	77667	123436	104393	61685	77359	102565	59632	117767	50922	49979	91828	73386	80641	75920	78640	80962	75301	86529	79855	46713	66813	71637	54926	50168	1080	0	0	64876	49782	0	77692	75193	59916	62693	43537	279	76326	53855	38889	71183	47368	45212	82169	45817	57688	49055	25199	47814	45660	68086	89873	100054	110914	66289	59598	83266	69083	89393	0	47377	65936	37685	52586	38556	52223	52508	66937	40539	57582	38127	43317	56055	79085	78242	93767	37057	57609	0	67452	74656	43895	47255	47170	82858	45833	88601	39591	63208	47413	0	53014	50760	Lipid	0.35714287	1.3928572	0.035714287
8	C26 H39 O8 N5	550.2871	550.2877	0.20081656	550.28723	4125	4086	0	0	0	11172	0	0	0	0	0	2166	0	0	2880	0	0	0	0	0	0	0	0	0	1953	0	0	55963	0	0	2502	0	3099	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3261	0	0	0	2157	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3168	0	0	0	300170	0	0	0	0	0	0	0	0	0	0	198606	38064	0	9480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.5	0.1923077
10	C26 H39 O8 N5	550.2871	550.288	0.26004115	550.2873	0	3445	2149	1382	0	2668	0	0	0	0	1606	0	0	0	1302	0	0	0	0	0	0	0	0	0	0	0	0	26211	0	0	0	0	0	0	0	0	1341	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2333	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	996	0	995	0	0	0	0	0	140606	0	0	0	0	0	865	0	0	0	0	186768	65066	0	8613	0	0	0	0	0	0	0	0	0	0	0	1436	0	0	0	0	Peptide	0.30769232	1.5	0.1923077
14	C26 H39 O8 N5	550.2871	550.28754	0.32924384	550.2873	0	1880	0	0	0	0	0	0	0	0	2368	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30854	0	0	1947	0	1603	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1998	3049	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1155	0	0	0	125617	0	0	0	0	0	0	1340	0	0	0	342941	72607	0	10811	2619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.5	0.1923077
6	C26 H39 O8 N5	550.2871	550.2881	0.50536084	550.2874	1088	0	632	852	0	17691	0	1113	0	0	0	0	0	0	0	4001	0	0	0	0	0	691	0	0	0	0	0	7152	0	2798	2217	0	1608	0	0	684	4357	0	1298	0	0	612	0	0	0	0	0	0	3747	0	1261	736	0	0	0	0	0	1181	0	0	0	0	0	0	0	0	0	2833	0	0	0	1283	1129	0	1637	0	0	0	872	36498	0	0	0	0	0	0	0	0	0	0	20367	3441	0	1063	0	0	1148	0	0	0	0	908	0	0	0	1435	0	0	0	0	Peptide	0.30769232	1.5	0.1923077
28	C29 H43 O9 N1	550.3011	550.3018	0.08923795	550.3011	9336	9583	10959	10876	18801	3503	7561	6510	12349	12129	9713	2569	15626	6855	4342	7323	5790	9274	23271	18170	16668	6655	7121	10571	7505	36746	5050	11572	10730	9521	8874	8840	16359	7466	19109	9599	14472	7250	6748	13535	8544	4303	0	0	0	7516	6020	0	8072	7911	11852	10908	12670	0	17730	15825	3494	11941	7164	3560	10478	6890	16834	12576	3792	13646	8468	8259	28515	33125	43331	7008	6459	5387	5394	4748	0	4332	14292	5603	6099	3119	6859	10395	18203	9804	15939	4842	6140	8395	14405	11909	9283	3922	4640	0	9939	14474	8770	22936	25902	15168	4649	13444	3776	9150	16542	0	5948	12185	Lipid	0.31034482	1.4827586	0.03448276
18	C29 H43 O9 N1	550.3011	550.30194	0.1948269	550.30115	15304	11087	9190	10186	8382	7321	10205	17147	5425	3627	7528	14023	6236	5527	13230	20652	23522	7874	15740	9325	14670	6949	12442	19109	8463	15285	10841	10096	16548	19027	9967	11902	20331	11221	7236	13796	14144	12089	18108	5656	7765	8598	0	0	0	9435	5189	0	16698	21857	9478	12089	9337	0	8135	7979	6070	12289	9164	10924	17906	3725	5689	7138	6536	7037	5575	25188	12928	12399	16638	5501	10983	17548	17931	19314	0	11144	14140	6250	14811	6797	6731	8225	13321	8714	11782	4996	7557	21814	20115	12622	15664	2931	5802	0	13892	11265	6503	8320	15519	22180	10115	10842	6676	9036	11184	0	9802	4657	Lipid	0.31034482	1.4827586	0.03448276
26	C29 H43 O9 N1	550.3011	550.3019	0.11126755	550.30115	50667	48660	51384	49584	79618	37294	22657	47836	70842	64715	50531	22872	78190	36549	46488	52528	30300	76988	95970	109978	98232	46718	46739	52798	43131	112213	22370	51094	53388	50050	41585	47527	63715	42391	88544	54871	64464	36107	28653	72542	46419	27958	0	0	0	56689	42372	0	48429	47895	55915	54405	56762	0	93050	74158	29433	55105	40731	24456	62356	36821	65888	61306	21052	53321	38990	28947	111135	144420	120736	44590	38112	47300	29655	41407	0	35621	58568	23351	44302	27462	36323	43749	79063	40774	48049	27635	35113	27254	52089	58328	75091	28431	33297	0	54312	53385	45644	67748	80676	59181	25244	63806	36323	40112	66406	0	39851	67823	Lipid	0.31034482	1.4827586	0.03448276
20	C29 H43 O9 N1	550.3011	550.3018	0.10057734	550.3011	39311	43105	37664	38198	45655	24542	34489	48643	39069	31752	25688	33394	38525	22621	43695	59315	58707	38312	45153	56752	52561	22484	43926	53051	36251	63991	29914	27086	49187	49638	38596	41005	53402	44286	28507	58967	46245	33266	46605	29758	30848	38854	994	0	0	33250	32086	0	44336	46760	40669	35250	39696	0	39606	42339	26426	50287	31606	28528	59404	20043	35542	32415	23668	39772	30076	49833	50036	56214	73193	35408	40726	47375	51566	41147	0	30012	50175	24864	41043	16103	28190	30493	60124	30656	56217	25485	27427	46554	53997	41846	59123	16443	21034	0	40712	46082	30696	34632	47740	59372	29400	50281	22187	43600	43787	0	35428	34729	Lipid	0.31034482	1.4827586	0.03448276
12	C22 H47 O14 N1	550.30695	550.3085	0.10174072	550.307	0	0	0	0	0	0	0	0	0	3976	5988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1611	0	0	0	0	0	0	3267	0	0	0	0	0	0	0	0	0	0	0	10855	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	90420	0	0	0	0	0	Unclassified	0.6363636	2.1363637	0.045454547
16	C34 H47 O3 N1 S1	550.33496	550.335	-0.9770269	550.3344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2526	0	0	244	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3791	6490	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	18353	31118	0	0	0	0	0	Organosulfur	0.0882353	1.382353	0.029411765
28	C30 H47 O8 N1	550.33746	550.3382	0.08277215	550.33746	8314	6465	8163	5689	13557	3083	11123	5428	10597	3000	5422	3011	9308	5048	4010	5446	5725	7197	16779	7521	6420	4396	5813	6502	10042	14266	7142	10260	9935	7364	6193	5333	11184	7508	6892	9873	8716	6044	6541	6952	5125	4928	0	0	0	5370	2357	0	7670	7296	6541	5898	10315	0	18309	14925	4617	7031	8149	3556	6384	4995	7917	8464	4720	9364	7410	8180	12592	8382	12118	4419	2989	7975	2536	6594	0	3388	12830	6902	7412	3555	4963	8472	22764	8943	12922	2322	5165	7118	6864	9238	5855	5837	2258	0	6823	7039	9988	18676	28220	12039	4059	9286	4840	6504	17666	0	6304	5823	Lipid	0.26666668	1.5666667	0.03333333
26	C30 H47 O8 N1	550.33746	550.33826	0.1000512	550.3375	39682	31540	47441	35918	79904	37854	32418	56479	57926	30527	27238	18178	46749	31926	39342	51533	36355	46748	85649	54158	45695	27581	36968	44040	46273	66473	27079	40690	54572	42560	40473	41676	61048	35976	38076	51982	54847	31953	31539	36159	28934	32261	0	0	0	37227	21349	0	38047	39445	43475	39861	55799	0	94892	65755	28794	45079	39903	20728	49417	23393	50680	53669	22971	37866	42751	30951	50020	58423	52463	32906	36677	52023	23753	35492	0	29870	51068	26399	30885	22635	33431	32333	90878	44769	55801	26631	30394	32931	41974	58483	53020	24441	22773	0	41979	38449	43927	74757	83232	74641	23895	54662	28291	37448	76439	0	32039	51172	Lipid	0.26666668	1.5666667	0.03333333
14	C30 H47 O8 N1	550.33746	550.3383	0.32313257	550.33765	15114	19330	18590	25436	0	0	22522	2665	0	6938	25944	1197	0	0	1299	13353	10522	0	0	0	0	129728	0	0	0	0	0	213064	3884	0	3732	6567	2145	1231	0	0	0	1527	0	0	40444	0	0	0	0	0	0	0	3271	9771	0	13798	0	0	0	0	0	0	0	250468	301118	9748	0	0	0	0	0	1320	280396	0	0	3356	0	1985	1926	2045	0	1898	0	156594	0	0	0	0	0	0	0	0	1451	45030	0	9918	0	34644	0	0	17914	5536	2746	0	0	0	0	15538	0	0	0	0	0	0	Lipid	0.26666668	1.5666667	0.03333333
24	C30 H47 O8 N1	550.33746	550.3382	0.07170851	550.33746	36776	33147	40634	40097	78380	28201	27531	41132	54187	28239	26486	23019	44126	32065	33545	54490	44159	44582	75427	48055	35964	21102	36673	39657	35347	56031	30605	29755	44691	37299	34811	51046	49748	32275	35884	52568	53435	31003	46635	34704	23011	35623	0	0	0	28131	24466	0	42532	33343	38034	36918	53199	0	73737	50499	27833	53117	32765	21170	46486	18961	42310	42754	25965	41802	37002	41717	41003	52508	43034	23101	32216	42664	32222	39332	0	27899	44806	23431	32015	17863	31691	24696	77342	37220	46086	26865	37023	38480	49724	47985	51145	23952	30868	0	38241	42649	40307	57477	71288	66571	22294	47532	18267	40523	66076	0	29956	41284	Lipid	0.26666668	1.5666667	0.03333333
22	C30 H47 O8 N1	550.33746	550.3382	0.10886022	550.3375	13576	16281	10756	12884	20667	6520	11669	17569	14126	4503	7495	11811	9009	8184	14119	25420	27632	10104	21519	7711	11090	6615	13532	14343	14993	14281	13282	7052	16600	20279	10741	16682	17603	12395	1437	20008	13662	15865	19387	8428	10195	10060	0	0	0	4638	8555	0	13574	14127	15367	11625	19081	0	22364	18776	10442	20398	5279	8530	21647	3814	10411	14468	11151	11711	12319	25592	11314	15180	7329	7611	9792	13434	19952	11893	0	10820	19616	6730	11248	5434	11544	4767	28215	13700	21972	13976	13851	21172	12916	11417	17403	4760	8241	0	12964	16287	11670	18404	25990	27991	9873	15401	4125	15550	21799	0	14283	13001	Lipid	0.26666668	1.5666667	0.03333333
16	C38 H47 O2 N1	550.368	550.369	0.44712812	550.3682	9261	8313	18480	11751	9750	10980	10035	10976	16188	25398	27519	9453	5913	14019	9474	9580	8880	0	0	5550	0	8619	8217	7836	6234	1591	10587	17217	0	9282	8055	0	0	17523	0	0	13601	12507	17235	13926	11910	7905	21204	30714	17154	18234	8370	23295	8847	7182	9522	11772	16212	16299	0	8478	18330	9516	114579	0	0	13953	7536	16629	13065	11358	11169	6840	0	11424	10317	11307	16230	10460	0	8571	26424	10470	5166	16428	10245	12786	10416	7065	13983	9957	6930	9015	10620	0	0	0	0	0	6774	21150	7848	9993	18096	7197	7086	9312	3344	15216	239619	0	6453	26670	4935	8040	Phytochemical	0.05263158	1.2368422	0.02631579
16	C23 H18 O16	551.0668	551.0677	0.41956836	551.067	0	0	1461	3623	7697	0	0	0	6069	0	0	0	11629	1372	0	0	0	3199	5221	0	0	3419	1269	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1484	1775	0	0	0	0	0	2022	0	3484	10508	2742	0	0	0	0	0	21524	7446	2326	7188	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1240	1304	0	0	10160	0	0	0	0	0	0	0	0	5400	0	0	1885	0	6639	16221	13381	0	0	0	0	0	3682	0	0	13626	Phytochemical	0.6956522	0.7826087	0.0
20	C23 H18 O16	551.0668	551.0679	0.2995574	551.06696	4394	7634	0	8470	20538	7000	0	0	17272	0	0	1926	30956	6826	0	0	0	10086	10026	0	0	14832	2644	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4252	13208	0	0	0	0	3864	5884	0	9264	25970	5728	0	0	0	0	2622	26304	16954	4136	10828	3856	0	0	0	0	0	0	0	0	0	0	0	3154	14250	3586	7700	0	0	19272	4364	0	4178	0	0	0	0	0	13512	5856	0	6726	5060	16454	21118	20136	0	0	0	10872	0	12118	0	0	32512	Phytochemical	0.6956522	0.7826087	0.0
18	C23 H18 O16	551.0668	551.0679	0.38409445	551.06696	4043	4780	0	0	8013	1724	0	0	10807	0	0	0	12212	987	0	0	0	4474	7737	0	0	6202	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1033	0	0	0	1987	4179	380	0	0	0	0	4081	0	5463	11866	3764	0	0	0	0	1730	26329	8677	1947	9138	2430	0	0	0	0	0	0	0	0	0	0	0	1932	1572	1214	2396	0	0	13681	2584	0	0	3700	0	0	0	0	9772	3544	0	1827	0	6970	18694	11887	0	0	0	2884	0	5713	0	0	14196	Phytochemical	0.6956522	0.7826087	0.0
18	C24 H22 O15	551.10315	551.1041	0.37174034	551.10333	163598	152829	115578	94616	295677	198450	38610	0	337402	134613	80712	42804	690499	105111	60687	15372	19350	282897	414729	141795	152307	390146	127107	28422	26856	0	23796	54288	0	0	20655	0	41637	0	214546	0	50535	58923	0	53478	67412	64134	4617	0	0	256659	411780	0	36828	12888	180054	94770	173637	0	439920	338352	122265	28674	31599	17082	24318	81999	709830	324621	85842	441405	103365	21096	29356	30042	59904	11664	14958	0	11412	0	2232	19197	86136	263358	138852	338931	3828	39501	365402	181161	96282	65259	110079	0	30465	49194	34281	395251	279720	0	119349	132732	343170	382746	369528	27564	26244	24777	316503	14778	294606	0	15651	611086	Phytochemical	0.625	0.9166667	0.0
14	C24 H22 O15	551.10315	551.1042	0.33185905	551.10333	21309	16263	12475	16786	27424	10070	2054	0	37431	13382	15068	6363	61693	11766	4313	4582	3199	28046	21061	9740	13342	55364	10348	2677	1278	0	3518	0	0	0	2289	0	5640	1498	26688	0	5612	6406	2790	4320	13730	4274	0	0	0	17563	60371	0	2185	1243	16321	10304	16600	0	37814	36249	9151	4656	0	0	0	8823	69079	35464	8682	37875	11094	3668	0	1863	5665	2602	2133	0	2261	2424	0	4570	17342	30039	16149	24069	1520	1614	41881	13500	17885	6171	8696	0	0	0	2707	57631	24086	0	15927	11730	29534	47158	42469	0	5063	2878	32616	2477	27221	0	2608	54958	Phytochemical	0.625	0.9166667	0.0
12	C24 H22 O15	551.10315	551.1042	0.29202548	551.10333	7844	8720	10501	6285	16944	4549	2648	1605	22732	8004	5745	2153	27520	3792	2589	1662	0	12606	16762	4911	7999	19644	4694	0	0	0	0	0	0	0	986	0	3207	0	13447	0	1879	1846	2653	4080	5786	4634	0	0	0	11426	36985	0	1870	0	7171	6232	9393	0	13958	20248	6001	3625	0	0	0	3517	40224	17929	4510	21717	4458	0	0	0	3039	0	1192	0	2578	0	0	916	9845	0	9038	14149	1612	2170	24801	5602	5047	4297	5491	0	0	0	2508	31564	13632	0	8438	7387	25610	23990	26057	2524	1472	0	0	2825	18490	0	0	25995	Phytochemical	0.625	0.9166667	0.0
10	C24 H22 O15	551.10315	551.1043	0.37551248	551.10333	2748	5492	2448	3725	7378	3513	0	0	8198	5165	3222	2356	13744	0	837	0	0	3281	6030	0	3122	6461	1993	1589	0	0	0	0	0	0	0	0	0	0	4185	0	1275	1285	1303	0	3360	943	0	0	0	3933	10674	0	0	0	1242	2141	2687	0	5161	8620	2652	0	0	0	0	0	21904	7841	2371	9409	2264	0	0	0	0	0	0	0	1750	0	0	808	6458	0	5081	3552	0	0	12002	2680	3263	2331	0	1287	0	0	2663	7778	5697	0	3623	2682	10490	17234	11789	0	843	0	15908	0	6835	0	863	10684	Phytochemical	0.625	0.9166667	0.0
16	C24 H22 O15	551.10315	551.1041	0.29972118	551.10333	13012	22260	18868	14257	32947	21037	3042	0	45112	24281	7671	5681	71405	13048	7300	4372	0	40826	37268	10328	18869	59477	10610	3729	0	0	2332	5019	1837	2765	2344	3033	3978	2264	24192	0	6330	9248	3125	6220	14381	7019	695	0	0	33248	51970	0	2149	1654	16959	11939	23886	0	36352	43012	12475	5385	2849	4180	0	12520	83649	45099	10436	53412	14735	2871	2491	0	6955	0	1798	1473	0	1376	0	4013	13956	36743	12627	39342	1714	0	45257	13989	14652	10451	9147	0	0	6332	0	58665	35810	0	18419	14586	31922	43807	38936	4037	3342	3561	46033	0	31217	0	3109	73499	Phytochemical	0.625	0.9166667	0.0
14	C23 H22 O14 N2	551.1144	551.1155	0.33677596	551.11456	3687	1983	2442	3616	4900	2004	0	0	7365	1909	0	0	14329	0	2473	0	0	7862	4670	1907	3460	18072	1488	0	0	0	1560	0	0	0	0	0	2357	0	2019	0	0	0	0	1857	6425	2575	0	0	0	7395	33361	0	0	0	2360	3366	5118	0	6482	8528	1761	2023	0	0	0	4619	17498	8865	2102	7804	3456	0	0	0	0	0	0	0	0	0	0	900	1538	0	1783	13723	0	1386	8728	3318	1852	0	4570	4149	0	0	2949	20268	6509	0	3748	4555	3602	8891	4778	0	0	0	21388	2717	3070	0	0	11582	Phytochemical	0.6086956	0.95652175	0.08695652
12	C23 H22 O14 N2	551.1144	551.1156	0.41741756	551.1146	0	0	2480	2407	4751	1484	0	0	7018	0	2356	0	8799	0	1057	0	2318	2700	3786	2319	5427	9720	1552	0	0	0	0	0	0	0	0	0	1705	0	4416	0	0	0	0	2249	5629	2289	0	0	0	5355	30063	0	0	0	0	2009	1911	0	5724	3868	1392	0	0	0	0	3072	13887	5790	1465	5719	1892	0	0	0	1731	0	0	0	0	0	0	968	1518	0	994	8631	0	0	5991	1130	0	1738	1725	0	0	2058	3148	10270	2545	0	0	0	3976	7103	6235	0	0	0	0	0	2906	0	0	12040	Phytochemical	0.6086956	0.95652175	0.08695652
16	C23 H22 O14 N2	551.1144	551.1155	0.2490714	551.1145	2880	2767	0	3582	0	2144	0	0	6486	1824	2184	1229	11598	0	2113	0	2749	8307	7554	2890	6403	12930	3009	0	0	0	0	0	0	0	0	0	0	0	6720	0	0	0	0	4952	5793	0	0	0	0	11998	38464	0	0	0	2775	2421	3860	0	9607	5120	1511	1602	0	2696	0	5650	15809	5764	2725	3944	4637	1864	0	0	1743	0	0	0	0	0	0	0	2597	6572	0	13499	0	0	5337	2925	3244	1656	3124	0	0	0	0	12389	7239	0	0	2283	3026	2686	4190	0	1550	0	15466	0	4535	0	1272	17311	Phytochemical	0.6086956	0.95652175	0.08695652
14	C20 H26 O14 N2 S1	551.11774	551.1192	0.6529569	551.1181	3687	1983	2442	3616	7113	2004	0	0	9109	7133	5169	0	14329	0	2473	0	0	7862	6642	1907	3460	18072	1488	0	0	2620	1560	0	0	0	0	0	2357	0	7478	0	0	0	0	3468	6425	2575	0	0	0	7395	33361	0	0	0	2360	3366	5118	0	6482	10034	2977	2023	0	0	0	4619	17498	8865	2102	10090	4957	0	0	5994	5018	0	0	0	0	0	0	900	3684	0	3061	13723	0	1386	10605	3318	1852	0	4570	4149	0	0	2949	20268	10525	0	3748	4555	3602	12053	4778	0	0	0	21388	2717	4765	0	0	13357	Organosulfur	0.7	1.3	0.1
16	C24 H26 O13 N2	551.15076	551.15173	0.2706635	551.15094	24604	16488	16508	20660	12586	10570	6361	11406	25281	29299	9913	8248	34038	3412	10218	9105	5861	26511	22405	29534	23394	49393	14681	13910	4320	2130	6415	3847	9746	8128	11737	10712	14566	13387	45891	9511	15764	10657	4166	30226	17693	8492	0	0	0	47691	48416	0	10891	4699	16371	18970	9632	0	29898	15645	5868	12562	13823	6669	16918	22621	36616	19221	7432	15959	11920	8888	5065	6166	6164	11343	5821	10945	6929	10152	0	7687	13204	16988	9416	36524	8376	13754	19686	8842	13257	8161	8717	0	9992	16487	0	32674	39598	0	16937	20007	9817	12690	14807	10533	8922	11445	36586	14759	14325	0	6236	33947	Phytochemical	0.5416667	1.0833334	0.083333336
8	C24 H26 O13 N2	551.15076	551.1519	0.303615	551.15094	10624	8824	12164	8522	7858	5774	3172	8704	12314	13410	11274	8603	27718	0	4173	3922	7520	12728	14740	9060	20037	20522	5630	5632	1988	1628	4946	0	3914	6892	3390	6832	7178	5404	24651	4262	8532	5496	7664	14108	21302	4504	0	0	0	14286	50208	0	4854	5222	15726	9170	8435	0	16430	11884	3670	6616	0	8924	0	9636	35362	14980	0	18094	8154	11692	0	0	0	6050	6392	3034	6412	5488	0	2418	9954	10538	3004	15543	5358	4166	16706	0	4004	7452	9076	8852	0	0	13348	21166	12188	0	10212	14594	7548	16739	13508	9138	3240	6294	0	8268	9300	0	2838	22458	Phytochemical	0.5416667	1.0833334	0.083333336
20	C24 H26 O13 N2	551.15076	551.15173	0.29652193	551.15094	5754	2889	3329	6898	3520	5620	2196	3379	6281	9266	3548	1963	15679	0	2395	2761	0	5929	4904	0	8244	13169	4349	3759	2704	1901	0	0	1763	3200	2055	0	3328	2848	9595	2537	4573	4673	3651	4061	4006	3068	0	0	0	27781	16936	0	2330	4888	4306	4853	4240	0	13887	5121	1443	4529	3913	0	2300	8339	10872	7650	0	8085	2448	0	3682	2933	3137	2151	1806	1369	2386	2236	0	2649	3285	4037	3425	12880	0	0	2855	3686	3190	2735	3588	0	3414	5249	7229	11955	0	0	5232	2802	3028	6047	4689	2188	2228	3508	13654	0	0	0	3714	9388	Phytochemical	0.5416667	1.0833334	0.083333336
10	C24 H26 O13 N2	551.15076	551.1518	0.3144401	551.15094	11887	9132	12023	12085	9985	3747	6111	8026	10333	14769	8108	7571	15634	2281	5388	9662	7515	12020	11203	16152	25846	28467	6700	7701	3551	1331	6337	0	5827	7902	5827	7201	6963	7087	29676	6100	9450	5006	10374	12999	23708	6917	0	0	0	26592	52969	0	8712	7502	8357	11193	8368	0	16336	9845	4698	8163	6033	9336	0	12280	26140	12895	3407	13646	7146	12647	0	0	8157	4423	5530	4141	7853	6238	0	4716	8692	12993	7510	20570	3840	6893	14577	6675	8699	7395	7758	11241	5412	10641	13683	27995	24173	0	10021	16114	9081	11728	11543	9201	5086	6970	31016	9428	9720	0	6361	18311	Phytochemical	0.5416667	1.0833334	0.083333336
14	C24 H26 O13 N2	551.15076	551.15173	0.2986206	551.15094	18038	24031	19212	22693	20074	12173	13097	17669	17066	35366	14981	10508	30224	5609	11318	15969	15091	23619	23520	29691	29661	64449	18053	16235	10038	4239	6184	0	10023	12220	12537	11720	18292	9676	47867	13508	19885	19538	11345	34302	37694	10668	0	0	0	57579	77007	0	15827	12530	18091	23767	12941	0	31729	16734	9716	11730	17180	13587	0	30998	47572	31585	8911	24545	10035	11341	0	9272	9499	15788	9119	12621	12435	9012	0	12119	12771	30414	11359	40120	12704	14093	20382	14648	16103	11127	15150	24551	12740	17514	28438	42792	38537	0	18815	19282	11991	21099	14389	18741	9491	16975	72621	16742	15684	0	9528	33910	Phytochemical	0.5416667	1.0833334	0.083333336
2	C21 H30 O15 N2	551.1719	551.17346	0.31353873	551.17206	17550	17553	14773	14935	0	0	25180	34540	408	1228	2101	72424	584	0	15250	883	9003	453	506	0	0	0	2369	616	0	0	3767	0	79737	48520	60876	118899	44751	119899	0	169990	44005	9598	8902	0	0	0	0	0	0	383	0	0	19475	31707	15869	17052	487	0	429	0	490	3040	0	0	1028	0	779	1911	0	0	1308	5353	0	0	804	72502	228064	345759	21664	102686	0	83117	820	0	1139	0	0	0	0	518	0	760	4794	0	0	782	814	0	0	0	17519	18271	0	356	0	13637	57214	0	0	3519	0	0	392	0	Unclassified	0.71428573	1.4285715	0.0952381
20	C26 H30 O13	551.1759	551.17676	0.21036176	551.176	75270	71901	82901	87112	79265	68563	27959	57637	98445	193997	64799	29193	118642	39847	62308	43295	20951	107845	99672	151726	144369	111325	57240	54450	53653	59049	29218	50516	42481	39489	61389	48476	66783	48698	235839	50248	76007	42901	23246	129211	60510	31723	1627	0	0	212608	140829	0	52119	45255	86352	81696	57223	0	110449	60085	34397	57609	55621	19831	48686	82338	125312	79349	34504	78215	45863	32428	98558	118238	70816	63585	56112	56968	24170	46740	0	42410	56755	126464	56634	138625	42971	88663	74369	41173	47124	27044	35997	29713	57364	67133	59244	82696	105525	0	80655	75244	68893	55528	57139	48790	36418	56517	151654	44851	52082	0	36545	131164	Phytochemical	0.5	1.1538461	0.0
16	C26 H30 O13	551.1759	551.1768	0.20090534	551.176	110191	110843	107881	108751	81785	60835	59351	84672	106760	563304	117223	47501	107659	36833	85232	84900	42896	108886	117994	210990	175989	169719	78059	87730	65041	81934	47031	79200	75035	66890	84529	95558	90848	59070	686920	81148	98066	77032	56407	284946	109144	37880	2226	0	0	463298	217954	0	93327	74562	116155	118361	67314	570	115036	66408	47333	81230	89161	52830	95449	95122	133826	98425	41208	93954	70564	57578	71922	130515	106830	91667	77449	85580	52549	83749	389	68141	92356	91657	71611	348950	81302	102231	85654	56154	70339	45989	55248	50570	76254	86261	91822	104167	158617	575	115721	113631	79926	67951	67989	88880	49989	87830	184541	86375	73908	0	64014	103201	Phytochemical	0.5	1.1538461	0.0
14	C25 H30 O12 N2	551.18713	551.18805	0.18359996	551.18726	46560	44915	41530	48152	20772	25219	31180	56387	31935	81467	33866	20451	40682	11048	36877	48735	24976	36511	38903	64844	72655	117191	35254	51283	37878	8834	18484	23672	41367	37817	35677	41726	48353	34334	111491	43711	45599	32566	21626	68723	47752	19357	0	0	0	71073	50618	0	39090	42834	43562	36610	20833	0	47553	18518	17799	46186	70144	23378	41254	50865	37267	34888	13160	30884	26923	25818	0	23997	13065	37599	38059	34932	20803	38114	0	33758	33170	22758	23326	40483	32495	32562	21609	18781	34200	25884	25971	43685	47759	49743	65158	48774	48105	0	54332	47577	16681	20699	19805	41358	27292	52020	57349	48169	20654	0	24668	35180	Phytochemical	0.48	1.2	0.08
16	C25 H30 O12 N2	551.18713	551.18805	0.16111328	551.18726	42605	40919	31264	36050	21697	29219	25924	45046	30913	65681	32559	20867	44456	11294	39494	26289	23700	35024	35940	66733	63140	83313	35154	46396	38699	22945	20677	23010	37581	35975	36821	37384	49612	26285	102837	33983	46912	26332	22561	64544	36188	21491	0	0	0	66089	39645	0	40279	32409	48440	35157	22035	0	41995	26702	17660	39557	45276	15506	39580	39386	37411	29079	11975	32189	25499	18991	19066	36479	32322	45289	33762	36104	17801	29350	0	27870	27796	30016	29255	40389	35291	36522	25353	20240	30141	16487	24643	0	40586	50395	53329	35507	58325	0	42320	41308	21527	25176	11594	34842	21631	42194	45712	49439	16442	0	34621	53626	Phytochemical	0.48	1.2	0.08
18	C25 H30 O12 N2	551.18713	551.188	0.18641558	551.18726	25957	23574	20333	21874	13216	12172	13465	21022	19376	41744	10101	11539	35218	8791	23265	23048	9079	25807	25321	40807	23994	37148	20691	25818	23145	5337	11881	10002	25140	16590	20105	23038	28169	21631	45692	20841	25954	15021	8209	33257	12719	9494	0	0	0	46994	14587	0	24160	20683	26073	19248	14353	0	32189	11612	9144	20872	23726	5954	18762	26034	25107	19256	9119	15960	16584	14293	3668	11223	0	20147	15145	15886	12359	22037	0	13964	22333	11579	13476	25368	22602	16877	11214	9699	17806	10883	17123	13764	22729	34316	39816	14683	30126	0	23550	23097	7586	10355	9991	19430	11579	26429	27064	14823	9120	0	16783	25383	Phytochemical	0.48	1.2	0.08
8	C25 H30 O12 N2	551.18713	551.18823	0.3141468	551.1873	12900	12807	13261	13029	6905	4776	4717	11838	8025	16787	8539	6365	13532	2260	6065	10526	9836	5409	8049	14031	19141	22772	7816	10040	4107	1411	5516	3291	8020	7186	6552	8786	9179	7332	25574	7827	10517	6061	9077	11626	18498	5312	0	0	0	14283	13661	0	8600	7500	9571	8093	4460	0	8000	6616	3904	9016	6431	9125	9192	9365	15337	8061	4141	7597	5085	11187	0	2620	5343	9700	6605	6493	5733	9073	0	5429	7532	8277	7127	7983	5654	6714	6650	3734	7727	5180	3958	14025	0	8589	16003	11627	13556	0	10075	11094	3374	7400	7666	10976	6401	10640	7325	9524	5659	0	5501	11984	Phytochemical	0.48	1.2	0.08
28	C30 H30 O10	551.19116	551.19196	0.15840006	551.1913	4180	3224	3441	3776	6467	3055	984	0	6855	11141	8313	0	10098	3540	0	0	0	3121	6734	7295	9759	3827	0	0	0	18914	0	7583	0	0	1768	0	1831	0	16732	0	0	0	0	4622	6151	0	0	0	0	3378	4669	0	0	0	4256	4358	3330	0	8162	5885	1778	1571	1406	0	0	4093	8422	4888	2235	9716	3344	2471	21401	20456	27139	0	0	0	0	0	0	0	6285	4622	3569	3105	0	4561	12829	4194	5145	2442	2059	1980	1794	0	2483	5449	8573	0	3615	3645	5798	9594	8199	2263	0	0	0	0	6691	0	1525	4775	Phytochemical	0.33333334	1.0	0.0
26	C30 H30 O10	551.19116	551.1919	0.06519798	551.1912	11165	10001	9559	7200	12090	7685	0	0	15633	27931	19775	0	23036	4662	0	0	0	14279	14707	18652	23189	9371	0	0	0	44021	0	15226	0	0	3100	8544	0	0	36973	0	2905	0	0	15514	24943	0	8220	0	0	11217	12566	0	2765	0	11493	9922	9206	0	13337	14448	6147	3845	0	0	0	11021	16779	10909	5133	12729	7155	4582	51998	48845	66215	0	0	0	0	2922	0	0	9776	8509	7754	9833	0	13396	25000	11425	6201	3181	0	6259	4714	4877	6101	12439	11777	0	9076	10419	12010	19551	16708	0	0	0	8529	0	13084	0	3273	15328	Phytochemical	0.33333334	1.0	0.0
22	C30 H30 O10	551.19116	551.19196	0.13038217	551.1912	30854	29975	29620	29682	38954	15281	8572	6158	31185	89571	74464	10491	38575	27419	11094	12713	6010	35308	34822	61849	63663	36306	15640	13303	9601	133932	7790	63260	8315	5826	7255	6822	10577	7921	108340	4238	15895	11636	8498	52694	47570	13250	0	0	0	31597	26761	0	5892	9243	28113	30191	20205	0	39303	34397	11890	12318	11507	7226	15059	32369	47558	30528	12586	40861	15055	8552	110087	150034	162905	8347	7333	4618	3744	5559	0	9294	25566	21098	18230	30882	9338	40029	45397	20694	18910	13277	12678	12736	8323	14979	15420	34080	39827	0	27445	32510	32758	36200	34383	8046	7258	13270	22518	8850	28967	0	10022	36416	Phytochemical	0.33333334	1.0	0.0
24	C30 H30 O10	551.19116	551.19196	0.122798905	551.1912	20273	20987	24314	16287	29345	12737	5268	7186	28303	59146	55034	3931	31836	17226	7431	6099	5065	20956	37227	48836	40618	25703	9512	5437	3852	85838	4334	41916	3513	2781	6449	4115	3505	4864	65703	2738	6285	5006	5576	37490	32785	7608	0	0	0	29753	30979	0	6260	2903	18608	19492	15391	0	22869	30313	10104	7475	7284	3536	7722	24420	30482	21847	8315	28654	11497	3610	87220	100701	109863	4972	5791	0	4116	3288	0	5022	24088	20149	14402	16953	6668	32092	36459	12156	14673	8766	10422	9455	9402	7289	10788	28260	32247	0	14401	15591	20518	31280	37400	6627	4172	6817	18338	6877	21879	0	8605	29377	Phytochemical	0.33333334	1.0	0.0
24	C27 H34 O10 S1	551.1945	551.19525	0.44508612	551.19476	6763	13872	14800	11672	6263	15148	2283	3306	14790	29406	8026	4682	20172	0	0	6572	3275	12645	11676	17964	21990	31748	0	13100	5092	11921	2894	17972	2387	2731	2913	3523	11086	2627	30519	8260	11692	3551	3555	27544	16740	5399	0	0	0	19018	20210	0	4810	0	13010	19746	6462	0	6757	5916	7968	11068	16400	3232	4649	26754	9523	15028	3608	7391	3020	1913	7097	23084	13010	4751	3700	2436	3923	3729	0	2653	0	15184	2804	17840	10544	25362	6806	0	9772	7988	6213	5946	14468	14279	19178	23244	36616	0	6912	14240	0	4236	0	2031	1803	7133	10473	12658	5587	0	8316	12754	Organosulfur	0.37037036	1.2592592	0.0
26	C27 H34 O12	551.2123	551.2132	0.35679796	551.2125	12164	10443	11996	11511	10745	8444	2510	9238	13412	35922	10219	6484	22188	4738	8325	8111	0	14134	12799	23594	22628	10494	8079	6754	6820	9517	2740	8281	7350	0	5369	0	8484	4184	31399	0	13171	5641	4296	16441	10260	0	0	0	0	17345	14721	0	7710	8507	11111	10936	7483	0	18623	10457	5249	7814	6659	3626	7001	9586	18040	11339	3347	11070	5838	4812	13225	26619	17275	6810	5392	6771	0	4764	0	4917	10176	5624	8128	10226	4388	7696	7257	7924	8361	6607	3998	4826	10334	15558	9895	6745	14571	0	10899	9663	10121	9121	8062	0	4173	7938	13743	5957	7211	0	4126	21320	Phytochemical	0.44444445	1.2592592	0.0
12	C26 H34 O11 N2	551.2235	551.2245	0.27718994	551.2237	22766	14735	17513	15725	6679	6635	10907	31953	8691	24099	5706	9295	6758	3805	16983	15464	16360	9272	15772	22765	24179	35027	15342	27605	19345	3890	11339	0	21644	12711	22027	13217	23996	16043	38740	15170	20504	12000	18661	22798	17315	7654	0	0	0	20586	11786	0	19051	15965	19380	14683	11981	0	13025	5900	5478	24578	15493	8366	0	13278	14820	9737	6510	11433	10941	16071	0	8860	6708	18771	14291	20001	8846	14538	0	13438	15947	0	13869	13945	14278	11910	6369	6437	13543	7388	9522	24394	12191	31152	29666	12422	18348	0	18652	16398	4068	4280	5939	16773	11296	21083	0	16968	4180	0	13533	11902	Phytochemical	0.42307693	1.3076923	0.07692308
22	C31 H34 O9	551.22754	551.22833	0.10445357	551.2276	41009	42585	43189	38608	41797	21771	15357	24311	43163	85704	90398	16397	41859	38982	23774	33590	23810	33907	48983	92887	101741	43382	28382	31100	30269	179511	17770	86813	21544	25589	23851	26862	32422	23510	100026	20054	27658	22539	20603	69292	72729	26794	0	0	0	38335	41012	0	29407	24901	49155	44222	30553	0	42940	41799	27877	37031	21307	22232	37159	51273	57637	40676	22736	41022	29034	25166	135774	177075	196827	23953	16094	17134	13086	23277	0	24551	48605	32384	37430	28908	26185	58952	53062	30908	40262	21025	27319	34861	38748	38795	43605	39618	49601	0	43249	51451	45161	47230	40522	27493	22143	36576	26462	33223	40522	0	29604	47587	Phytochemical	0.29032257	1.0967742	0.0
24	C31 H34 O9	551.22754	551.22833	0.09055338	551.2276	38471	39491	39652	34986	35347	21613	13711	23209	46572	85399	89677	17467	52316	26889	20201	28957	15706	38595	57150	97568	82422	32953	26611	32627	21514	160404	12445	75344	21122	16241	19903	22290	21982	17919	97931	21142	24892	15829	22659	71497	66393	16119	0	0	0	37913	34680	0	21773	21008	40235	43433	29962	0	43389	42183	21394	22335	20242	13985	28104	45483	47342	36561	20070	44288	28788	20600	139297	158669	192017	21065	12325	14869	10603	14585	0	15844	46177	26788	34772	32330	18263	65610	58718	33446	31277	20291	19179	22755	26621	23304	35512	34168	34412	0	39697	40621	37659	59982	46473	27256	14022	23684	26979	24063	36209	0	20191	46023	Phytochemical	0.29032257	1.0967742	0.0
28	C31 H34 O9	551.22754	551.2282	0.12558837	551.2276	6916	4751	3949	5301	9631	0	0	0	5796	8110	8818	1926	7196	3645	0	0	0	4182	6783	9354	7565	5058	4998	0	0	24465	2300	9306	0	0	3750	1653	3818	2433	8387	2960	3305	0	2592	7674	12750	0	0	0	0	3433	5112	0	2855	0	5276	4582	5773	0	6460	7281	2428	2667	2249	0	0	5403	8788	5785	2991	9603	4147	2273	26799	27502	38106	1773	0	0	0	0	0	1826	4487	3597	4265	3375	2593	5590	12014	3567	6250	2200	3374	2336	2229	3223	3784	4037	7076	0	6488	4988	5723	13264	13215	0	1832	0	0	3077	6090	0	2962	4604	Phytochemical	0.29032257	1.0967742	0.0
26	C31 H34 O9	551.22754	551.2283	0.06650254	551.2276	17039	17938	18699	22100	19695	12272	4387	15047	23987	31195	36899	5987	25075	15934	11888	13255	0	14449	23620	39230	46512	22054	13622	14534	0	75165	7706	39356	0	9113	10204	6857	10041	8806	39602	9912	11110	10069	5865	33309	29094	10164	0	0	0	20090	19148	0	9139	0	18669	20349	19778	0	26544	28945	10872	12570	8248	5103	15660	20169	28087	22081	9145	24153	10990	10519	95201	74502	101835	10047	8294	0	0	6369	0	6486	22708	14230	16550	9738	8952	26875	36312	14139	17450	9332	9060	9135	11206	11168	12359	18120	22637	0	13467	16126	19447	32844	26358	10371	7181	9767	11362	8515	22254	0	7468	21925	Phytochemical	0.29032257	1.0967742	0.0
24	C28 H38 O9 S1	551.23096	551.2317	0.47557458	551.2312	10690	27362	12197	12573	11067	9796	8022	8222	7960	31337	32120	2884	19202	3875	8350	10341	7126	15507	33484	48444	53460	15927	0	10736	0	11553	4597	11231	6753	0	5285	7632	20678	5694	30843	7990	7015	6583	11021	22874	8924	6802	0	0	0	20086	12325	0	4810	4448	28552	21396	7985	0	12721	6722	3891	7387	24294	12238	12545	36336	10906	9047	3615	11678	7515	7393	11674	30945	18350	7411	5309	5232	7209	5753	0	9820	13833	10355	6007	19388	9748	16866	12041	0	12369	4665	9649	11020	52052	28925	23344	28422	26653	0	21540	14543	6698	4688	7347	8334	4140	12189	9920	9765	5394	0	11124	13034	Organosulfur	0.32142857	1.3571428	0.0
8	C25 H34 O10 N4	551.23474	551.2359	0.37493238	551.235	6400	2719	3640	5321	0	1457	2840	0	1020	2417	2361	849	972	0	3474	2478	2381	1969	2996	1975	2467	5401	1434	4678	3802	0	1991	3714	5917	2288	3100	2984	4335	2371	3149	3659	3187	3415	2639	2263	1340	1620	0	0	0	0	0	0	6189	3526	3810	2303	1891	0	1747	0	1239	5712	2196	1148	5715	0	1576	1125	0	1120	1612	2766	0	0	0	2358	3067	3867	898	4165	0	1723	2683	0	1868	0	1719	2227	0	0	3187	992	1381	4364	83471	43591	8128	1993	2033	0	3717	2894	1721	0	0	3314	1816	4013	0	3975	0	0	3520	1446	Peptide	0.4	1.36	0.16
14	C28 H38 O11	551.2487	551.24963	0.29868454	551.24884	17722	23245	17788	19845	8229	7095	22031	29148	10625	19986	11950	23253	9006	2746	16587	30843	32364	8562	12817	26178	14585	8748	16286	21752	14670	12381	16058	11055	23311	35102	20598	32707	25101	13373	21950	26767	21648	15916	29636	12205	15074	7689	0	0	0	12384	18185	0	27433	26433	20016	19610	9904	0	16572	10053	8775	18413	24867	18409	0	9394	7074	13890	11369	8324	8473	27526	0	10658	18926	13892	20483	24981	29024	24248	0	18462	24503	0	19658	11049	17046	10492	13728	9371	24156	5817	9105	26485	21197	20428	28322	7771	11047	0	19597	20821	6383	17508	12108	21015	16852	35535	0	20507	7707	0	19277	6699	Lipid	0.39285713	1.3571428	0.0
22	C28 H38 O11	551.2487	551.2495	0.16002825	551.2488	180398	161795	169527	163251	125728	119936	91190	193145	183497	416862	147349	85427	186509	82374	170156	134254	67178	212950	215170	348492	259467	198107	162767	174828	163028	142602	76825	147656	192682	139236	165836	170034	192824	133255	481978	161950	231136	133877	79330	206464	85655	92757	0	0	0	189674	75834	0	177066	146051	172008	170002	125745	877	265247	138622	88118	155386	192995	48181	157637	138223	226048	184208	71033	146080	113022	77723	109646	319522	161194	157089	139805	164647	68841	136419	0	132332	159981	71393	138989	98421	120518	111610	143256	110268	139255	74055	101021	72585	197692	236816	221711	97496	150181	0	159510	171675	113077	120674	111323	171612	99681	188734	106386	151975	107480	0	110555	223596	Lipid	0.39285713	1.3571428	0.0
26	C28 H38 O11	551.2487	551.2496	0.18769991	551.2488	19552	17100	19291	22771	22959	14066	8228	23239	21057	49442	13918	7784	29626	12598	15136	13688	5984	32564	31079	41431	41243	19148	20373	21170	13597	18457	7519	15625	17972	16732	22118	16919	26189	13833	44606	22558	26062	15310	9593	23110	9425	7007	0	0	0	24214	10622	0	21751	13633	19519	18896	14483	0	37090	18731	6698	19052	17570	4567	16893	11953	30482	21270	8260	20333	11297	9819	19060	60469	25391	20029	15555	18646	8581	12917	0	14838	23428	6622	15843	10962	12780	11442	24979	10464	16478	7235	13112	11064	20377	21068	29926	12364	18961	0	19597	19242	12583	18866	17019	18445	9873	18249	9538	14260	11735	0	11303	32633	Lipid	0.39285713	1.3571428	0.0
24	C28 H38 O11	551.2487	551.24945	0.14186557	551.2488	82966	73129	79304	71461	65997	59362	33993	79245	88020	178842	53120	35457	120955	36166	72448	56539	28072	98813	123588	157364	130501	79693	64076	76793	71893	61225	24293	56483	72052	58527	65407	57422	83299	49788	238483	64679	111155	49483	28034	86809	35122	34156	0	0	0	86036	33455	0	67177	58604	77286	68615	53906	0	130095	65663	32290	66060	76561	19290	66190	63136	119885	85334	29974	86025	49506	34597	50501	153604	77186	64590	52437	64585	23094	54023	0	54271	60602	24670	55330	43150	47540	56165	60534	49348	58538	35445	48419	31726	92067	110309	103237	37755	67671	0	71571	78110	47425	49865	49802	65914	40990	78995	39168	70445	46594	0	43292	118834	Lipid	0.39285713	1.3571428	0.0
16	C27 H38 O10 N2	551.25995	551.2607	0.3143075	551.2601	6182	4721	6044	5259	3380	2712	6975	7959	3482	4961	2049	5307	3255	1509	4575	9366	7429	0	6520	5525	3010	8585	6283	14319	12211	0	5925	3738	12102	5714	8329	13462	16200	8626	7852	8847	11497	5303	7355	6595	3030	4643	0	0	0	6055	5105	0	8110	9818	6753	4938	2927	0	5867	1391	1863	9340	6384	4419	11784	3130	0	3142	1828	0	2737	6485	0	2762	2101	7384	8752	11983	7172	7225	0	7410	4091	5217	3658	4691	7082	2094	1721	3516	10726	2959	4142	25908	18990	12294	0	2122	3692	0	10165	7147	2171	0	0	8096	4633	8395	0	0	0	0	8497	3372	Lipid	0.37037036	1.4074074	0.074074075
20	C27 H38 O10 N2	551.25995	551.2606	0.24521914	551.2601	9248	6442	6216	4254	2390	4560	5882	10445	3181	4462	2089	5724	0	2256	7301	8075	5251	3643	8192	8144	0	8290	7763	7496	7587	1476	4383	1932	10787	9076	9887	10844	16674	7366	8350	7859	12262	5573	6228	11191	2202	4459	0	0	0	7659	2883	0	11656	8218	3679	3381	5238	0	5766	1765	3253	9521	9644	4136	7658	2725	2586	4162	2355	4126	3772	4036	0	2734	2709	5738	9565	6051	3947	6915	0	3633	6345	2400	3428	3384	8015	0	2695	2922	7270	3759	7963	9043	17960	19028	22398	2142	8431	0	5602	5565	0	2528	2247	9406	3848	10645	0	11089	2651	0	5875	5441	Lipid	0.37037036	1.4074074	0.074074075
26	C32 H38 O8	551.2639	551.2648	0.10359039	551.264	32961	28753	30346	30934	27660	16587	13071	37463	35233	33906	54950	19182	36256	26881	22912	34631	18974	26554	44523	66858	58183	27124	31429	35272	29447	134013	11650	55187	30365	27978	27311	29506	33002	23504	56420	32519	36917	23072	17433	55314	51118	24833	0	0	0	28785	21749	0	24199	33302	31750	30877	28877	0	46025	49214	21074	29747	21161	18522	32112	34822	30943	28191	14044	33609	30643	26081	131235	93188	122070	27185	21179	26011	14723	26867	0	17948	42020	19891	31985	22087	23415	49507	50110	29507	38427	20634	20700	24622	23931	35129	48479	23222	26593	0	33673	33924	30050	50347	61687	36954	16770	31174	21712	25921	40133	0	29099	25917	Phytochemical	0.25	1.1875	0.0
20	C32 H38 O8	551.2639	551.2648	0.12831315	551.26404	20200	20341	17935	18912	6208	5931	12081	17531	12470	10646	22701	14486	8958	6730	12932	21934	25004	8165	15147	23269	14943	19577	13065	15810	11335	37795	15422	17973	11955	19080	16357	16248	23490	8562	20408	17710	13423	16026	29915	21223	29454	9641	0	0	0	13220	14255	0	13476	17167	11379	12720	10081	0	9090	14185	7759	17737	10154	18645	16921	15814	11040	6215	11713	11560	12548	28226	25610	37521	51304	10713	11717	15803	19346	13797	0	15221	29242	9435	20635	10663	17112	23625	15801	9589	24826	9718	10899	26792	11083	19175	20734	11148	18704	0	16698	21127	11855	15990	15976	16755	16759	13921	6774	20716	10433	0	13925	11608	Phytochemical	0.25	1.1875	0.0
22	C32 H38 O8	551.2639	551.2647	0.10913539	551.264	36741	42006	42402	44911	23735	20015	28031	34990	33327	46709	62828	26615	24969	24707	29190	45846	37886	24134	44189	76157	65986	36858	36063	46249	31739	127606	24145	60537	32979	32103	34940	37932	41315	29885	54643	36701	37586	29443	47090	61126	64846	21507	0	0	0	30398	34067	0	37038	38657	37194	35664	34699	0	35882	38798	23324	43220	27124	31255	41146	34446	31568	28779	20300	27283	28915	47796	91833	112486	143900	29878	23688	26181	30597	33634	0	24008	53073	33231	43130	28606	34475	48900	40718	32292	52822	23996	29772	43092	29252	43913	56322	31358	35565	0	41933	39960	27319	39653	41861	52048	27112	40259	23711	38125	32799	0	34724	28428	Phytochemical	0.25	1.1875	0.0
24	C32 H38 O8	551.2639	551.2647	0.099466704	551.264	57079	51885	51857	53529	43653	30393	24331	44631	53484	70200	86896	31213	52783	35266	42737	53685	42100	35839	62964	105749	84875	45614	44840	59675	43949	180344	25753	89425	41719	41790	39101	42844	57718	40174	87979	49842	52904	29478	43322	81691	89727	25806	0	0	0	47330	40186	0	46140	43712	54989	54673	36433	0	50631	47961	29484	49345	36995	31450	54078	60417	48287	40725	24248	51300	39235	48992	162569	174905	194387	37496	28965	37994	31804	36804	0	33082	58147	42863	47652	32527	34426	70206	61012	30033	52886	29300	37315	49983	43559	46581	66902	47953	47988	0	60634	50659	37781	65385	61162	52186	27608	58410	30921	46382	49805	0	42304	40637	Phytochemical	0.25	1.1875	0.0
28	C32 H38 O8	551.2639	551.2647	0.07196804	551.264	6334	5693	6424	5281	6234	3612	3853	5416	8723	5511	9971	3348	10899	4170	4016	4141	0	5696	8857	10499	10188	6024	4023	5891	5759	27241	4094	12754	5506	4714	3657	4812	6787	4420	8587	4974	5965	4526	3267	8583	9480	2958	0	0	0	3720	5017	0	4315	4035	5918	7200	6423	0	7910	11058	4406	6531	4450	2962	4297	5130	5128	6317	3066	8117	4493	5340	32063	21431	32900	3566	2527	4562	0	4960	0	3212	6778	5730	6379	4452	3573	10062	15820	4060	11537	4399	3191	5196	5353	5561	8655	6868	3671	0	6546	6107	4692	16408	22623	5373	2315	6040	4309	7267	8467	0	4407	4384	Phytochemical	0.25	1.1875	0.0
12	C26 H38 O9 N4	551.2712	551.272	0.31218627	551.2713	0	4335	0	1811	0	3970	0	1593	0	0	2167	0	1190	966	0	0	0	0	0	0	0	0	0	0	0	0	0	20611	0	0	0	1437	0	0	0	0	1756	0	2077	0	0	1303	0	0	0	0	0	0	0	0	0	4435	0	0	0	0	0	0	0	0	0	0	0	0	0	0	928	0	0	0	0	0	0	0	0	0	0	0	0	19861	0	0	0	0	0	0	0	1017	0	0	420568	246698	2962	4738	2733	0	3522	3071	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.34615386	1.4615384	0.15384616
16	C26 H38 O9 N4	551.2712	551.2714	0.07965299	551.2712	4484	4869	5407	5357	2051	3645	4418	7807	1758	3503	3707	2666	0	2319	3905	9438	8797	2469	3504	5028	5237	4470	6500	4994	2887	5971	3873	11739	6901	3318	7905	5260	7887	7419	5085	5200	4930	6474	11665	4284	4656	2577	830	973	495	4690	3904	567	7029	5423	4843	4783	1329	253	3783	1433	2752	7504	2419	3897	0	4213	0	2254	2336	1962	1890	5108	5129	6384	4267	4203	5818	7454	7110	6875	0	4251	4850	0	3273	0	2911	5549	3628	1910	3520	1038	4005	0	527391	160575	0	0	4275	692	7233	7333	2195	2093	3603	8336	3682	4856	0	0	3939	961	3452	1775	Peptide	0.34615386	1.4615384	0.15384616
14	C26 H38 O9 N4	551.2712	551.2721	0.23687005	551.2713	8145	5606	7659	6771	1652	1980	0	0	0	0	0	0	0	0	0	0	0	1684	0	0	0	0	0	0	0	0	0	14708	0	1679	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2169	6293	963	0	0	2098	0	0	0	0	0	0	1487	0	0	1552	1294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	998	0	0	1496	0	0	0	934270	287628	2498	4279	7250	0	5414	3022	0	0	0	0	0	0	0	0	1543	0	0	1621	Peptide	0.34615386	1.4615384	0.15384616
8	C33 H42 O5 S1	551.2826	551.2842	0.1552637	551.28265	1462	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16950	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20500	0	0	0	0	0	0	0	0	0	0	0	0	0	1499	0	0	0	0	0	0	0	999	0	0	0	0	0	0	0	0	Organosulfur	0.15151516	1.2727273	0.0
18	C29 H42 O10	551.2851	551.28595	0.15662734	551.28516	32247	32624	22580	24155	13216	11122	28614	36098	21788	19745	15467	19590	13946	12456	27344	36230	41989	10027	26265	22957	15443	16823	17054	28464	21591	12104	35313	13664	32170	33663	29462	38723	32946	22014	14986	41033	28072	24375	42953	7496	13212	13127	488	0	0	13146	15340	0	49036	27383	29198	26199	12399	0	31478	21039	15559	38787	19509	21216	23191	7433	18316	22095	16517	17622	19800	48152	8820	15968	11816	20392	23393	37437	43744	31511	0	21609	29940	9005	32975	11046	20183	12951	29129	20445	39289	11505	21531	38873	23323	26142	27153	8807	14403	0	29842	34775	18991	27311	31188	36603	20645	25873	5668	24311	21973	0	23331	20845	Lipid	0.3448276	1.4482758	0.0
20	C29 H42 O10	551.2851	551.2858	0.08325641	551.2851	67592	62838	57726	63882	52334	36851	62777	74211	59487	56486	42614	40187	62137	26694	64678	77074	70050	52780	80270	61097	55858	48446	52073	74967	57250	46880	61810	41961	73701	65796	58229	74372	73782	45904	69000	69959	84142	53813	81168	42994	32305	43305	518	0	0	46525	30610	0	71872	62529	64735	66441	41438	0	85103	59271	38431	71840	60374	39593	67963	25351	73003	52797	36408	56950	38817	76970	33202	53332	45796	48060	61456	69400	70784	65219	0	55384	77957	26140	56901	32958	54203	53770	72991	42823	83959	36389	40249	59195	73571	69106	89925	30066	39202	0	55883	67303	40569	70139	75053	89924	43636	79316	43145	63146	51741	0	51147	63330	Lipid	0.3448276	1.4482758	0.0
24	C29 H42 O10	551.2851	551.2858	0.10535303	551.28516	99694	92194	97621	97747	86100	61999	63798	121567	101891	160034	71476	50113	117046	50472	87463	115289	47162	109756	151394	145807	122192	91605	80409	96780	88241	67367	51681	72254	138603	135082	112486	115456	133593	100603	218344	124904	145274	77917	63284	98402	40562	48660	2007	0	0	81291	32379	0	161224	107772	97253	95245	74722	0	172627	82253	47452	133309	98873	36323	123700	57635	125809	94417	40201	95453	70851	52878	48014	143969	69953	106892	98048	104617	96297	98932	0	76370	86426	36909	72801	49813	79931	61914	80166	61380	80584	47293	75548	52742	118436	131480	134834	53844	86776	0	96076	108032	52680	66243	87560	124274	55803	144663	52832	85797	73693	0	63019	124965	Lipid	0.3448276	1.4482758	0.0
16	C29 H42 O10	551.2851	551.28595	0.17287588	551.28516	5455	10059	7938	4467	3193	3025	10487	5835	5011	2177	3476	7943	3387	2996	8674	12599	20387	0	3488	4533	3728	6334	7244	7892	6360	4281	12364	5110	9835	12772	9563	11079	12911	4580	2940	14423	8873	6641	23736	2923	3876	3989	0	0	0	3850	7884	0	10820	8941	8098	5040	4497	0	4768	4483	3994	8574	4558	8649	0	1538	4644	5579	3132	2776	5664	20094	6582	4690	3597	4465	6024	17437	15866	10228	0	7185	14677	5799	9130	2991	7503	2359	7482	6139	15632	1965	4475	0	7074	8829	0	2264	3097	0	6423	7690	3498	9981	10087	12097	7701	6185	4445	0	6920	0	10683	2907	Lipid	0.3448276	1.4482758	0.0
26	C29 H42 O10	551.2851	551.2859	0.119560406	551.28516	38263	29040	34880	31672	32425	21626	22276	45401	43125	46160	19638	16905	52206	24987	34680	28406	17316	49233	72972	74548	50333	39285	33006	35834	42651	29799	17691	30174	43189	32925	37083	33175	51545	34216	81735	39244	66235	23944	19241	45213	14562	19163	0	0	0	37255	12493	0	36759	28917	36650	33385	28697	0	79814	41747	19058	39626	39157	11409	38907	29708	52409	43188	15580	36059	27586	19601	21769	69227	32577	33564	29305	31803	11547	30691	0	26513	35195	9201	27772	16311	36219	28801	34846	23718	36007	18850	25191	18976	51069	59092	63956	14766	29073	0	36455	45103	20388	29967	42757	49679	18746	50411	18154	28428	23831	0	19224	51820	Lipid	0.3448276	1.4482758	0.0
26	C33 H42 O7	551.30035	551.30115	0.0860175	551.30035	40653	37452	35011	28413	22960	13171	20146	50526	28587	27210	54270	20640	28986	25595	34059	50053	45268	22918	39529	51566	45623	26469	28830	42666	37531	103102	22907	53869	44486	48818	37452	38658	43056	32755	34638	45853	46998	27031	40633	44341	48859	27681	0	0	0	29029	19740	0	40789	42696	37228	33977	24140	0	37866	57767	24607	46220	29978	23959	51734	35428	26134	31591	16665	30155	26094	45322	88294	66274	82109	28014	25565	40189	34486	33404	0	27278	46046	26568	30041	17677	30209	41741	49195	32408	49204	24578	24724	42212	29524	31739	48266	28706	21922	0	35427	35832	24827	64376	64912	54202	25271	45031	18603	35411	31970	0	31149	18244	Phytochemical	0.21212122	1.2727273	0.0
28	C33 H42 O7	551.30035	551.3011	0.07140416	551.30035	8127	5847	6463	7955	7311	2663	7061	11486	7745	5021	10079	3905	10119	6212	8854	10485	9884	3678	10547	8324	7519	5909	8074	9053	10144	31651	6853	13768	13731	14297	9444	9577	11502	5863	5913	13836	12859	7495	6689	6947	9759	5306	0	0	0	5658	4243	0	8681	10548	8524	7709	4764	0	13328	15863	5989	11652	5412	4672	12522	5846	5349	8041	4943	8215	7319	8452	24008	14701	19297	5645	5592	8528	3272	10667	0	4684	15165	6894	7742	6455	7561	11363	13140	4752	16108	3678	4466	10135	8497	7942	11397	5959	2783	0	8054	8477	5595	26801	27244	13360	5231	11176	4759	10326	9719	0	6974	4373	Phytochemical	0.21212122	1.2727273	0.0
24	C33 H42 O7	551.30035	551.3011	0.07860405	551.30035	33422	36893	34083	37381	24531	11992	26119	36309	29000	30661	43234	26284	26985	18674	31820	48837	50336	16991	32189	36171	36683	25361	24210	38844	27219	75291	26020	44035	28059	39281	32282	39235	39238	27715	30340	39132	42182	26783	54375	41578	43710	24180	0	0	0	18484	22759	0	33862	37998	37290	36924	22302	0	33105	33653	24185	35477	32727	28386	43294	23809	21272	26673	18789	24041	24599	55584	57090	59700	80894	21774	27586	29799	34298	38004	0	24771	39591	25523	32469	21611	34471	37757	32599	32663	48552	18727	28721	53487	34532	33317	41884	26480	24101	0	30010	33390	26497	50144	45631	50076	23632	42325	21699	38633	27305	0	35318	16695	Phytochemical	0.21212122	1.2727273	0.0
22	C33 H42 O7	551.30035	551.3011	0.06826341	551.30035	12994	19059	15713	11636	7149	4456	17216	19419	14225	9950	13910	12228	5553	7488	14027	21985	32630	4827	10780	12430	13923	11311	14847	12600	17182	22510	13145	13652	17250	19830	14295	17578	16350	8346	12042	18473	15402	15901	27831	13537	17565	8097	0	0	0	5735	10566	0	12903	13808	15216	14858	7734	0	10929	17341	7975	20890	9444	15144	13624	8261	5655	11004	10239	4058	6778	32516	21975	20765	24690	7923	10416	16317	22628	16703	0	13167	24266	12220	17126	10655	12623	12352	12511	10404	21921	10401	8411	28376	10906	12423	19523	8649	11428	0	10352	16292	7964	16342	14741	23992	12927	14276	4336	17682	9711	0	18830	3394	Phytochemical	0.21212122	1.2727273	0.0
24	C30 H46 O9	551.3215	551.3222	0.05428953	551.3215	31893	35140	31989	33686	32441	16960	48080	39144	34391	22561	20000	30385	29955	22633	33648	44742	26240	29568	57442	33547	19546	21838	24004	28991	27541	13323	42324	25139	51986	60129	39167	47832	49042	32203	36108	48013	53696	27429	30295	22281	14297	18110	0	0	0	18619	13502	0	45776	34566	29525	36912	27576	0	58740	35963	21442	45302	36345	16885	34214	11631	37100	37247	19324	33207	25708	29852	12959	26235	17986	26111	31771	41129	38578	39992	0	23554	36500	12800	27915	17636	47056	27137	38031	28501	34547	19583	29186	27870	49531	45659	40719	11603	18040	0	27410	40248	20397	40711	46302	53854	29599	43336	18239	29812	36207	0	28034	35150	Lipid	0.3	1.5333333	0.0
26	C30 H46 O9	551.3215	551.32227	0.09359454	551.32153	27091	25558	25139	22845	27922	17327	35222	32947	29850	21487	16577	16132	32697	23124	27907	24464	15325	29331	52592	31331	23450	21162	18969	21436	31297	10943	26041	26216	39577	30816	29082	31229	44843	22018	35313	36598	49137	21436	18002	22104	8196	17260	0	0	0	21263	0	0	27852	30327	22876	27532	23305	0	53351	32279	18253	33322	31844	11413	30156	16542	33140	30316	15415	30387	27412	22410	13018	29488	11370	22536	27091	30777	23285	26496	0	23832	32071	12163	18028	16275	34926	21094	34138	29029	24908	15498	21768	19528	46911	47559	32528	14295	16440	0	28116	27991	17567	23245	31607	42789	16159	47388	20655	24495	27216	0	18430	29312	Lipid	0.3	1.5333333	0.0
22	C30 H46 O9	551.3215	551.32227	0.10394232	551.32153	18469	23024	16204	17143	20479	14474	29130	17523	17599	7441	8828	12041	17025	11752	15391	30644	24876	16581	21415	13687	4899	10284	12475	16675	21499	8618	23606	8158	27933	25136	18898	19552	24782	20716	6473	25523	26698	19905	26648	6680	3656	12528	0	0	0	6008	6960	0	25647	19899	17040	16780	15629	0	36552	23631	12809	27996	13320	9378	18686	3818	31691	19564	11215	15735	18089	27282	3783	6810	7147	13146	15229	26333	21682	20969	0	16745	19245	7567	14732	7488	23647	9787	30544	17890	28177	10725	14762	22093	24162	24124	18022	10173	8095	0	13990	18595	13911	33850	27747	29849	10935	21102	4797	15145	21155	0	16546	12122	Lipid	0.3	1.5333333	0.0
24	C34 H46 O6	551.33673	551.33746	0.1292826	551.3368	5757	8568	5594	6690	2261	899	6679	6945	2536	1410	4577	4374	2117	2855	5220	11747	20757	1578	2440	3388	2502	1368	5971	4357	7526	7078	5337	3070	6093	8049	5996	7497	7904	3699	0	9060	7515	9202	23845	4320	6392	3655	0	0	0	2621	0	0	8132	7893	3242	8056	3713	0	5511	5303	3960	6114	4377	6713	7918	2741	0	3331	3892	2262	4204	22416	3909	2502	6008	1831	3287	6393	11678	6659	0	4047	13368	6522	7900	3224	6890	3385	5702	6292	15429	3208	4399	23440	3925	3746	7561	3454	1812	0	5386	3631	4809	15117	11371	12226	4308	5916	0	6673	5946	0	10006	0	Lipid	0.1764706	1.3529412	0.0
28	C34 H46 O6	551.33673	551.3374	0.07803752	551.33673	4204	2307	3607	3992	1637	0	6225	7681	3325	0	3980	2764	0	4088	2896	5524	11164	0	2285	0	0	928	4002	5005	10134	8314	6682	5140	7925	9443	5690	6926	8319	3060	1921	9773	0	5788	8765	2656	3356	0	0	0	0	0	0	0	6921	6344	5085	6252	3755	0	6156	9079	2564	7100	5486	2020	6430	1688	1192	4117	2858	4853	3882	12030	6993	3732	2983	2187	3044	7795	0	4911	0	4379	9822	5829	4092	2074	6647	3924	6330	4975	13281	1774	3000	10202	5532	4187	6076	3372	0	0	3797	3252	3120	18489	23886	12211	4030	5017	0	6020	7244	0	6261	0	Lipid	0.1764706	1.3529412	0.0
26	C34 H46 O6	551.33673	551.33746	0.06030083	551.33673	11843	9760	9231	13646	5490	0	12198	17256	8935	2432	10525	7806	8660	7258	18831	20577	25015	0	11759	6024	5871	3661	12770	15101	16319	20761	13692	12925	15620	17531	10538	17061	15906	7477	0	19455	16837	14517	24605	8395	11593	0	0	0	0	6956	0	0	12495	17785	12129	9978	7328	0	15109	23745	8156	14844	8301	12894	17464	5713	5650	6958	6563	5818	10587	35093	12373	8654	9324	4747	9016	18872	14321	14540	0	9415	22108	10251	10506	4842	10569	11350	10130	13181	26695	6767	6099	30636	9568	13312	18329	7507	0	0	8930	10245	6942	32932	28601	26179	9764	14897	0	12482	12382	0	13046	2913	Lipid	0.1764706	1.3529412	0.0
26	C31 H50 O8	551.35785	551.3583	0.0269483	551.35785	3111	4881	2523	4601	1972	2832	41089	7610	2425	0	0	0	0	5693	0	0	0	0	5839	0	0	2149	0	0	6357	0	36107	3283	6106	9481	5404	8106	8129	3216	0	10074	5953	4659	5183	0	0	0	0	0	0	0	0	0	8484	0	4349	3312	2308	0	5945	0	0	5980	3391	0	0	0	3939	0	2618	2917	6739	5208	0	0	0	5178	6537	0	0	8121	0	4069	3073	0	0	0	11117	7330	0	0	4850	0	3901	4335	8806	11665	5250	0	0	0	5115	0	3363	3678	8424	10368	4395	9338	0	3367	0	0	0	2730	Lipid	0.2580645	1.6129032	0.0
24	C23 H21 O15 N1	552.0984	552.0994	0.33000585	552.0986	4118	5430	4950	2686	8802	6088	0	0	10433	6633	1366	0	21713	2322	0	0	0	17927	8834	3688	8682	8057	1763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2302	0	3030	4168	2659	0	0	0	12284	30741	0	0	0	5543	3770	5170	0	12582	11013	4487	0	1280	1078	0	6503	14974	9690	3763	6145	3493	1398	0	0	2070	0	0	0	0	0	0	1297	2904	9217	1095	16620	0	0	15365	5185	2751	1603	1702	0	0	0	0	13665	7505	0	3326	3236	9498	6854	11356	0	0	0	27970	0	8278	0	0	18976	Phytochemical	0.65217394	0.9130435	0.04347826
26	C23 H21 O15 N1	552.0984	552.0993	0.14908408	552.09845	4702	4495	4359	3299	9909	6760	0	0	8644	5339	2019	0	23782	4314	0	0	0	11215	10149	0	12301	11421	0	0	0	0	0	0	0	0	0	0	0	0	7399	0	0	0	0	2188	4179	0	0	0	0	15221	33120	0	0	0	6438	5314	6759	0	14226	11170	2940	0	0	0	0	4964	20365	9979	3848	8191	0	0	0	0	0	0	0	0	0	0	0	0	2820	7650	2540	13501	0	0	10386	0	0	0	0	0	0	0	0	14742	11629	0	4586	5377	9017	6891	6731	0	0	0	22991	1741	11177	0	0	19772	Phytochemical	0.65217394	0.9130435	0.04347826
22	C23 H21 O15 N1	552.0984	552.09937	0.24400881	552.0985	5507	5448	4525	3738	14254	6613	1860	0	15149	6352	4241	0	27064	5401	2485	1514	0	13734	14985	3354	6575	18544	4519	2286	1411	0	0	0	0	0	0	0	1753	0	3881	0	0	2587	0	4330	4090	2727	0	0	0	11677	42324	0	0	0	7582	5016	5528	0	18666	15355	3653	0	0	2500	0	6261	16719	13264	6885	11511	4109	1411	0	0	0	0	0	0	1358	0	614	1883	3171	14479	3824	22504	0	0	17791	5801	2413	2525	3244	1899	0	0	3603	17782	11348	0	8705	7096	12850	13086	16334	2686	0	2014	33625	2965	15238	0	1517	19453	Phytochemical	0.65217394	0.9130435	0.04347826
18	C23 H21 O15 N1	552.0984	552.0993	0.2678545	552.0986	7719	4829	5638	4278	18238	7353	0	0	25124	7527	3370	1280	48876	6817	5091	0	2093	21786	16818	4563	15063	23346	9555	0	0	1499	0	1686	0	0	0	0	3052	0	7732	0	0	1428	0	3435	9963	6834	488	0	0	21116	57799	469	0	0	8632	8202	9575	0	25453	28861	7551	1122	2020	2621	0	7532	38143	18579	6377	14474	6567	2506	3852	0	2997	1480	0	0	1263	0	0	2105	4154	23435	3359	23107	0	1435	38520	9082	2451	4745	6270	1981	0	3598	0	32478	16621	0	7660	11090	20899	22003	26325	2071	1321	0	36585	0	18161	0	1190	30336	Phytochemical	0.65217394	0.9130435	0.04347826
20	C23 H21 O15 N1	552.0984	552.0993	0.27808663	552.0986	7847	5373	6096	9036	13658	9403	0	0	18592	3171	4010	2029	34961	4485	3634	0	0	24035	16446	5025	12173	15179	3961	3256	0	0	1193	0	0	0	0	0	0	0	5500	1447	0	1815	0	3980	8580	4009	520	0	0	20379	52673	780	0	0	3849	5584	7747	0	20833	20900	4939	1778	2181	1289	0	8976	28313	18316	7509	19181	4428	0	2875	0	0	1849	0	0	1568	1942	0	1353	3496	15560	4681	23381	1387	0	28721	8263	5906	3384	4677	4277	0	1985	0	24944	11986	0	9153	7018	16409	16004	22148	3409	0	0	36762	2211	18510	0	1300	26215	Phytochemical	0.65217394	0.9130435	0.04347826
28	C23 H21 O15 N1	552.0984	552.0993	0.23278588	552.0985	10798	10318	11482	12046	18028	15154	0	0	18842	13732	5604	0	39330	7010	0	0	0	22380	18456	12418	23998	26660	6132	0	0	0	0	0	0	0	0	0	2338	0	21298	0	2694	2690	0	4348	7616	0	0	0	0	28088	59034	0	0	0	9748	11200	11218	0	21932	17482	3028	0	4064	0	0	11814	31134	19740	3798	18924	5612	0	4544	6052	5628	0	0	0	0	0	0	0	5618	20196	8472	25628	0	3798	21972	12140	5916	2824	4506	1723	0	2388	0	24542	19398	0	11996	10060	14870	12704	16650	0	0	0	44410	3046	21880	0	0	38202	Phytochemical	0.65217394	0.9130435	0.04347826
18	C24 H25 O14 N1	552.13477	552.1357	0.2289477	552.1349	114060	90663	92209	97896	116144	105332	13302	20289	130284	192622	73926	25058	306786	47092	42680	27475	17830	187546	180912	159126	202104	273756	73065	51830	38404	31484	30788	47552	46684	30980	18484	19404	49233	11538	308384	13002	54344	56678	18912	162876	95239	34250	3200	0	0	404729	714494	0	23668	15599	102319	101684	94326	0	266921	155334	55802	34738	62471	29216	21780	124642	239794	134194	63746	141498	67024	22618	53036	55130	38778	35848	24988	13964	16830	22292	0	24213	70266	169482	62888	341462	25760	59776	168984	95290	59409	62213	50280	19508	37992	86098	74196	210580	259270	0	115845	104626	129488	101534	128651	50596	21550	49794	335016	43906	133874	0	22234	226502	Phytochemical	0.5833333	1.0416666	0.041666668
16	C24 H25 O14 N1	552.13477	552.1357	0.20430055	552.1349	37614	34507	35982	36117	43045	23205	6729	11950	49827	60992	32000	12582	90475	14735	15401	12793	11066	73280	66856	56297	72039	100075	25814	14007	7904	8570	10012	12925	10217	11546	7973	10685	15634	7238	83781	11256	18830	11008	6158	45386	46877	17641	1356	0	0	109815	147416	0	9406	11578	39990	31534	35879	0	69224	49196	18570	12376	18274	10922	16281	42263	76338	48275	21014	41007	27514	8862	16052	16836	17516	11975	7937	7630	10090	9643	0	14449	21262	79262	16490	99013	8995	18063	56107	29807	18156	15135	22145	0	7049	21718	0	96704	92715	0	32026	42652	33883	35180	41202	18255	11192	25702	133261	0	47569	0	6651	74135	Phytochemical	0.5833333	1.0416666	0.041666668
26	C24 H25 O14 N1	552.13477	552.1357	0.1546319	552.1349	5850	6003	6253	6236	4729	4404	0	0	9786	12638	3062	0	15781	2303	0	0	0	12275	6461	12342	15478	10233	0	0	0	0	0	0	0	0	0	0	0	0	15987	0	0	0	0	5764	6293	0	0	0	0	25697	47392	0	0	0	8126	5761	4588	0	12514	6253	2849	0	0	0	0	6379	11320	7997	0	5607	2250	0	0	6519	4213	0	0	0	0	0	0	0	2259	6528	2855	24288	0	4719	6352	0	2137	0	0	1916	1603	1440	0	8392	15816	0	4821	5735	6077	2999	0	0	0	0	30255	1891	5265	0	0	17063	Phytochemical	0.5833333	1.0416666	0.041666668
20	C24 H25 O14 N1	552.13477	552.1357	0.24308662	552.1349	21278	21750	22135	21373	31157	21876	3532	6362	35898	27575	17893	3892	60929	11962	10268	9022	2680	51265	46048	43327	41368	58533	14659	12633	10782	6291	4199	5582	4715	3704	3468	4401	4207	4607	37270	4260	11688	6873	1421	25922	17604	13183	1259	0	0	105642	122557	0	3474	6559	21780	19867	20553	0	45551	36328	14697	7034	8022	2780	5816	31343	57912	34100	12353	32076	13286	3521	18437	14686	8947	4677	3902	3247	6221	3323	0	7836	14494	37346	11472	78320	5188	11138	36864	19025	15233	9133	10791	4751	4898	12280	12759	46917	52239	0	24334	22660	26286	19736	31915	7237	6111	8443	103986	6493	28678	0	6498	49403	Phytochemical	0.5833333	1.0416666	0.041666668
8	C24 H25 O14 N1	552.13477	552.1361	0.4745616	552.1351	2888	7100	4350	6226	7428	2152	2648	2530	8170	10418	9146	2340	14590	0	1770	2966	2542	6106	9586	6372	10272	10990	1794	2442	0	1086	0	0	924	1602	2426	0	0	0	14100	2020	3340	1842	2682	3720	7642	2856	0	0	0	11952	25564	0	0	0	4114	3926	3262	0	9366	9216	2548	0	0	2200	0	2538	19564	11352	3904	10092	2382	4418	0	0	3908	0	2156	0	4624	0	0	0	4592	0	1698	5136	0	1075	8202	0	2586	2330	4026	6040	0	0	0	17620	9238	0	4310	2994	6514	11994	12364	0	0	0	0	0	7140	0	679	14918	Phytochemical	0.5833333	1.0416666	0.041666668
22	C24 H25 O14 N1	552.13477	552.1357	0.2551211	552.13495	12288	9622	13237	15701	15802	13884	3151	2640	24910	17742	6710	2318	33692	0	4174	3668	0	25959	21006	21070	26561	28543	7957	5601	5190	4481	1849	3372	3317	2739	2077	0	3315	0	17940	2705	3944	3284	1617	12517	12929	3318	0	0	314	72223	89092	0	2712	3615	11642	11541	11780	0	31211	14857	7039	5546	5912	2930	5267	13557	26179	17874	6649	10388	7342	2001	8945	7234	8388	1916	2626	0	1672	2338	589	4083	11032	22288	7146	52856	1946	6267	26782	14658	3156	4922	4643	2582	3357	6872	5222	26796	36161	0	12037	12180	21876	15205	13335	2015	2067	4878	67675	2425	16146	0	2033	24292	Phytochemical	0.5833333	1.0416666	0.041666668
28	C24 H25 O14 N1	552.13477	552.13556	0.22245677	552.1349	3199	5189	5104	5019	6376	3694	1142	0	5595	12447	2707	0	10822	2871	0	0	0	8362	6714	9803	14761	9130	3073	2991	0	0	0	1544	0	0	1204	0	0	0	17435	0	1795	996	0	6553	5650	0	0	0	0	23202	34214	0	891	0	4342	3397	3213	0	10871	4079	2460	1144	0	0	0	5520	9403	6172	2509	4961	3916	0	4941	8299	7307	0	0	0	0	0	0	934	2450	4781	2754	17132	0	3334	7749	4052	2082	1518	1148	0	1075	2759	0	8409	11499	0	4464	4657	4219	3845	3795	0	1058	0	20808	1161	4976	0	0	9679	Phytochemical	0.5833333	1.0416666	0.041666668
14	C23 H25 O13 N3	552.146	552.14685	0.001075229	552.146	20663	13688	11236	12594	15102	7546	0	0	29457	21642	10926	6658	32007	3639	7335	11130	5669	20000	12086	25953	31356	25526	4726	0	1751	0	4150	0	2049	2628	7579	0	14831	4820	49274	4444	7629	2163	3317	19499	0	8353	0	0	0	37339	49995	0	4302	1801	10606	7302	4175	0	21807	13731	5713	0	0	0	0	13340	31013	21057	3409	16864	3975	3620	0	6426	12692	3546	6628	2822	2892	9061	0	4906	10550	0	9843	38651	3001	3708	11772	4039	12715	6662	11724	8023	0	17878	14043	34468	31462	0	21809	11332	15534	20967	9312	8034	9555	0	0	5067	12718	0	5108	20734	Peptide	0.5652174	1.0869565	0.13043478
18	C25 H29 O13 N1	552.17114	552.17206	0.21262093	552.17126	76533	69754	66191	65540	58581	55648	28706	60489	71484	160363	65416	25621	136950	36160	48096	54046	24326	102213	117498	173776	153646	135447	50288	59967	43781	55413	20629	53023	49765	45701	42175	33602	52184	44101	188395	47875	50586	33665	23269	105853	67704	28856	2213	0	0	231422	186128	0	44155	45891	63744	67208	51682	0	112671	64934	36999	36002	44148	21106	50323	87844	103251	65527	29589	72818	42009	20714	59625	77025	61714	42566	36633	43409	28048	30659	0	32445	34951	71128	41000	153054	27110	60337	81222	48008	38040	32979	36544	20779	43475	55422	69590	86895	141033	0	81279	82159	60301	44572	54432	53454	29612	64824	156246	34786	54416	0	28755	107051	Phytochemical	0.52	1.16	0.04
22	C25 H29 O13 N1	552.17114	552.172	0.18559092	552.17126	24200	22844	25359	26589	22595	26229	6991	12461	35252	50109	17876	8026	52075	14624	10507	11288	5281	39853	31341	54096	54129	37119	16365	17685	15196	19392	6078	15227	14155	9473	8488	8321	19251	10217	60045	8966	16267	7518	6838	30974	25984	10049	0	0	0	115245	88506	0	13902	11563	22382	20796	20417	0	38180	34048	11805	11012	16051	7179	15178	32991	45032	33782	10773	30388	11893	3868	22172	37814	25302	12332	8813	8700	7305	0	254	12536	14550	23077	15606	71339	7556	26316	31230	20042	12342	7294	9409	7436	9383	20754	22856	31891	53621	0	18629	28975	23861	18182	21660	15831	8810	17050	83424	10150	26442	0	9700	43803	Phytochemical	0.52	1.16	0.04
24	C25 H29 O13 N1	552.17114	552.172	0.17946762	552.17126	8750	10553	8057	9997	11818	9704	2216	4801	13788	28778	8553	2717	29561	5681	5778	6461	1881	18397	16474	23660	27165	16165	6936	6220	4043	13206	0	4264	3884	2691	2929	2047	2467	2686	32924	3873	5749	3496	2085	20273	12407	4370	0	0	0	55685	56024	0	2963	2840	9487	9312	6576	0	20183	11829	6373	2687	4138	2449	6685	18138	24026	11729	3579	13660	4599	2584	9995	23098	17155	4842	3508	2430	2785	3540	0	3443	8690	11349	5878	38365	2113	11943	14417	4535	4879	2769	4460	3345	3033	6910	8606	14796	30540	0	10462	15923	11159	7863	11064	3397	3301	5845	38290	2353	15660	0	3050	27116	Phytochemical	0.52	1.16	0.04
26	C25 H29 O13 N1	552.17114	552.17206	0.2638909	552.1713	4981	5104	7037	5051	8487	5584	0	0	7616	20342	4296	0	14990	0	0	0	0	13904	8686	18565	14949	11321	0	0	0	7589	1865	4901	0	0	0	0	2717	0	19281	0	2182	0	0	10875	7487	0	0	0	0	30249	32583	0	0	0	6786	5828	5004	0	9296	0	0	3620	0	0	0	8427	12909	5875	0	7645	3512	0	6692	15273	14241	0	0	0	0	0	0	0	3327	5148	3986	19528	0	3964	8762	0	0	2969	4534	1925	2284	2812	0	5263	12323	0	4572	6584	5276	5234	6140	0	0	0	22407	2037	6121	0	0	13001	Phytochemical	0.52	1.16	0.04
8	C24 H29 O12 N3	552.1824	552.1835	0.23100826	552.18256	10701	12067	10559	13162	4624	4775	6326	12940	6613	11185	3914	9714	10854	1026	7600	12971	11265	7543	10926	6162	11773	17457	11237	15062	4749	606	6406	0	5650	10934	10146	11072	12425	8903	15246	8475	9734	7021	12668	12320	12495	4904	0	0	0	14312	18644	0	12376	12874	10164	12801	5256	0	7957	5425	3991	10666	7748	11298	14110	5780	13621	11393	4389	7988	5818	12845	0	2650	3239	12207	7993	8404	6530	9278	0	6871	10858	6001	7273	7751	5596	5047	5803	4151	9910	7664	7293	22634	0	12377	26108	9497	9957	0	10733	11016	4440	6451	5187	11546	7915	13199	7766	12896	6152	0	7682	11835	Phytochemical	0.5	1.2083334	0.125
14	C24 H29 O12 N3	552.1824	552.1832	0.15364873	552.1825	116902	141161	134366	135810	89972	59519	93419	122468	134880	274953	116011	75406	161665	36780	131921	122732	110952	145544	133564	209384	226315	292570	135696	122761	110102	75911	71150	55130	133067	86798	140681	150290	182853	107567	360164	136805	145033	119335	88086	223396	174470	73012	0	0	0	269721	294053	0	147857	149058	143946	141047	94300	0	170347	77296	61767	109404	185733	62060	56123	165790	163470	103701	44071	103505	75614	99023	40475	101498	96249	138902	130576	122199	89549	117032	0	107547	117191	78652	107903	198168	101464	120819	125076	62332	132339	84702	67985	116283	112164	151833	193663	199531	229910	0	184047	149552	100530	82007	81352	127084	90831	178220	152958	140180	87387	0	110035	180300	Phytochemical	0.5	1.2083334	0.125
24	C29 H29 O10 N1	552.1864	552.18713	0.10571742	552.18646	4129	4720	7393	3891	2233	2543	0	0	5789	22975	14778	0	2175	2784	1657	0	0	5521	6148	10325	7383	5752	2284	0	1905	17914	1202	14250	0	0	1347	0	0	0	14763	1255	1684	0	1708	11161	13770	0	0	0	0	12477	12009	0	2095	1363	2224	3429	3479	0	4117	3998	2945	0	2065	0	1809	11376	5821	3080	2004	2127	2862	0	16858	18340	25785	2242	0	0	0	1371	0	906	2858	7793	2051	8189	0	5437	4742	0	1714	3205	1322	2902	0	4113	2886	6264	9571	0	3668	6009	2067	3641	0	0	754	2344	8448	1724	3318	0	0	5020	Phytochemical	0.3448276	1.0	0.03448276
14	C26 H33 O12 N1	552.2076	552.2085	0.17625141	552.20764	57492	60778	45213	59341	30100	32354	41421	79575	41808	120515	67206	31909	42459	19735	47981	71325	45622	52076	54994	117620	106997	85879	55427	73489	49299	71255	31645	52642	61681	58975	60503	59167	64532	49599	135071	69461	59733	35598	39449	76907	85478	28527	0	0	0	99436	75144	0	61051	70827	56991	55810	29540	0	55719	30432	16355	56769	77569	40464	75056	67529	52132	49605	21300	39903	37851	38811	56853	79923	68598	53888	52292	62813	39694	47762	0	42558	43854	59435	38454	50898	48781	53517	39273	31948	41607	34711	36468	66366	50195	54564	90455	51537	68396	0	52919	65111	28553	28772	28794	67698	35498	93376	94763	48308	35310	0	42464	42282	Phytochemical	0.46153846	1.2692307	0.038461536
18	C26 H33 O12 N1	552.2076	552.2084	0.17146724	552.20764	131405	128804	121232	107400	98882	87070	65172	142453	103502	272407	125784	68494	162936	61978	121548	112947	61139	163807	186150	311704	257886	151839	116677	150481	102904	169431	52952	97695	147438	113582	112058	126303	115146	110745	315652	130899	130460	86138	61429	209345	111829	69221	3764	431	0	263746	180841	0	115317	119254	125755	125197	83265	0	162840	95813	58659	105866	112057	54956	113767	146612	150215	104748	52005	104765	66333	64191	141284	193639	159412	122560	99861	131346	77741	97614	0	87208	96575	77238	81021	144369	76591	124031	116273	85957	70646	63694	74210	66865	90852	137234	159089	89769	167645	833	127138	141575	86251	61846	82708	125685	67393	158651	151067	97448	84699	0	73010	118962	Phytochemical	0.46153846	1.2692307	0.038461536
16	C26 H33 O12 N1	552.2076	552.20844	0.15739055	552.20764	104182	104304	96775	100364	67391	58547	50574	119442	76571	196103	91063	53203	115012	31342	98046	97605	66213	99859	116742	229102	199787	113011	94243	120861	82817	128280	49977	81491	108849	100569	91126	102316	107908	79563	215585	121125	116826	61368	54837	160201	103184	59631	1822	0	0	168950	131454	0	94248	105762	105843	106594	61982	302	105918	63427	36939	86583	111351	49056	122736	102207	92046	77448	34692	80373	69165	51810	111153	140838	125245	98633	95204	111185	70206	83034	0	69594	75094	85751	64647	105973	82829	110222	74659	56993	60641	47855	63782	83822	80452	102429	172242	73736	124675	691	94648	124615	51331	50425	53598	99071	53769	126095	123687	90637	68592	0	76145	91932	Phytochemical	0.46153846	1.2692307	0.038461536
22	C26 H33 O12 N1	552.2076	552.2084	0.15788658	552.20764	82637	87550	96037	83147	82365	72071	30276	83122	115321	237990	78168	40030	133173	59236	74549	62470	27457	148531	122516	223335	195685	95031	71327	78698	76605	113833	27907	54906	80875	61334	71322	69062	67858	68816	260441	65461	80910	60637	33626	136873	61518	46291	0	0	0	212164	151290	0	65257	73318	75523	87986	65343	253	152195	79097	34486	76104	71678	25779	72622	94585	130300	92471	31109	99441	59352	24352	88850	210909	113363	75721	62563	72355	45954	60759	0	63230	64098	42740	67395	111321	44926	83400	95426	53167	55191	39839	42785	43067	72908	79067	81883	59842	107372	0	86420	111167	76919	55203	67550	60760	42274	76017	138865	63874	76786	0	44042	150150	Phytochemical	0.46153846	1.2692307	0.038461536
20	C26 H33 O12 N1	552.2076	552.2084	0.15999487	552.20764	104949	103864	108765	92774	94357	82438	40917	108761	92767	237124	91175	47199	170397	53398	77979	79176	43155	143734	152719	254378	219771	121440	91735	95666	78723	159934	39595	83008	96701	87526	82971	75748	85382	83719	287530	84398	99377	52591	37010	157977	76673	54855	3166	0	0	260681	174733	0	81119	75001	100399	91458	66052	0	137913	92167	46111	73622	90263	32582	91742	106400	114955	91458	46449	95579	61022	36200	113703	196749	130386	85205	75247	100094	49378	70727	0	65732	77194	67112	59009	120359	65695	127060	97009	67196	67981	54769	62451	51106	75455	96940	112484	70783	121785	0	103884	105378	86339	66324	77364	89691	50116	102790	148472	75422	91346	0	57082	136383	Phytochemical	0.46153846	1.2692307	0.038461536
12	C26 H33 O12 N1	552.2076	552.20856	0.23422271	552.2077	23179	21245	26392	22195	13396	12249	18648	34510	15436	53773	23635	21136	22509	6756	22204	25457	30306	20084	30604	50118	52852	46135	26955	23216	22008	27197	16752	21450	26958	23488	26547	21078	31685	23566	69794	29903	23616	21681	21594	45314	29716	12531	0	0	0	36966	47901	0	27468	32461	23952	23745	12613	0	29328	15335	10741	27933	31184	19083	19274	27652	23452	15471	8274	18065	16724	29196	21842	32382	30173	27741	24433	27118	19400	24303	0	20837	21360	17892	19085	26366	22065	26582	15447	12278	17850	11977	13740	33850	21200	27110	34724	30862	33554	0	25886	39463	14759	7761	12522	38253	20079	31694	19097	27521	15804	0	15721	26543	Phytochemical	0.46153846	1.2692307	0.038461536
26	C26 H33 O12 N1	552.2076	552.2083	0.13746776	552.20764	9127	8774	9880	9090	11497	11085	2073	0	11465	33990	7277	0	21581	5428	0	8680	0	20843	12984	29773	27453	8685	6461	5360	0	20184	0	4675	5855	0	4098	0	5144	6016	32237	0	8734	4383	0	15267	8412	0	0	0	0	25752	25320	0	6451	6667	12577	9106	6533	0	12704	0	0	7388	4042	3212	6079	9038	17149	8688	2837	12381	3936	3608	10966	35690	22374	7823	5794	0	0	3220	0	4843	4776	5936	4860	12811	4726	8509	12452	0	5035	3807	3804	2831	5666	5907	6655	4233	10736	0	9800	13538	7695	7842	6808	0	3166	6620	13499	4931	7396	0	5300	23686	Phytochemical	0.46153846	1.2692307	0.038461536
16	C25 H33 O11 N3	552.2188	552.21954	0.21009484	552.2189	50540	37336	50247	46846	22602	20129	32023	52122	31170	90895	51054	30120	34756	11593	45414	46666	15267	32452	47395	77755	71635	67951	49501	57018	39467	68049	28777	30622	50509	49654	44229	59158	66262	40135	108064	44994	73400	34378	27028	57181	60877	16238	578	0	0	54164	44682	0	56207	46809	39835	57691	32133	542	39160	17075	17746	66444	56695	30110	0	41284	32670	37243	21042	24770	33454	38890	43048	69158	53627	49774	45302	50129	39628	47356	0	41869	56280	14080	46315	42548	40106	37825	31218	21884	50648	27485	24258	0	41165	50128	0	19702	41786	0	46994	55995	30254	28449	28397	40980	36593	45062	32974	0	30739	0	39016	39794	Lipid	0.44	1.32	0.12
14	C25 H33 O11 N3	552.2188	552.2196	0.18166967	552.2189	20027	22831	18360	21005	10076	7171	15505	26884	12970	18031	8496	14858	10397	2162	24515	16579	9658	11552	19553	20875	19211	31236	21186	19697	28288	7898	11460	0	18328	25716	25004	17235	19067	13430	29530	20084	15481	18103	22007	15990	11416	12812	0	0	0	17850	8119	0	16323	20895	21978	20111	9353	0	15779	8096	9248	18455	26370	0	30957	16221	11709	8318	3518	10606	7729	15104	0	15159	12172	13934	16441	24492	14045	16867	0	14504	25121	0	20768	16744	21626	14594	5396	4393	16876	9357	7396	16974	26360	29706	37549	8129	15394	0	21013	20983	9125	8416	8526	12809	15802	27067	0	20742	11026	0	21356	10108	Lipid	0.44	1.32	0.12
10	C25 H33 O11 N3	552.2188	552.2198	0.25560427	552.21893	14374	12478	11095	13473	4276	5314	13196	17799	5714	10658	5870	8057	6879	1993	13607	16261	9746	8440	11099	13049	8932	23317	11118	17766	16586	0	7925	3443	15279	11323	17956	18053	19548	10465	14758	14838	16653	11487	12494	16978	3784	5735	0	0	0	11859	5085	0	16538	12450	8415	13057	5489	0	11173	3556	5046	17503	12173	5282	15978	7349	7590	8240	3541	7215	8028	13517	0	6559	4402	14561	8744	9289	6880	14063	0	9771	15470	6328	10185	7798	11703	8039	4226	6926	12020	7427	5196	18587	18536	21892	37243	8917	8368	0	18699	13983	4285	4130	3370	16356	9273	14467	0	19539	5378	0	14225	7908	Lipid	0.44	1.32	0.12
26	C30 H33 O9 N1	552.2228	552.22363	0.09017554	552.22284	4655	0	3758	0	0	0	0	0	2585	8139	7634	0	0	0	0	0	0	0	0	0	8737	4304	0	0	0	17117	0	7328	0	0	0	0	0	0	7138	0	0	0	0	4443	7534	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4833	0	0	0	0	3136	0	17947	14821	22304	0	0	0	0	0	0	0	0	0	0	0	0	6751	0	0	0	0	0	0	0	0	0	3380	0	0	0	0	0	2120	0	0	0	0	0	0	0	0	0	3599	Phytochemical	0.3	1.1	0.03333333
24	C30 H33 O9 N1	552.2228	552.2236	0.1007795	552.22284	5791	7332	5330	4152	5623	0	2761	3112	3650	17123	20783	2612	2865	4553	2158	3232	4382	4990	6644	16716	20952	7609	3893	5463	3746	35886	1833	19713	3756	2288	2301	2983	5853	3126	20024	0	2842	1617	3463	14433	19037	5212	0	0	0	11828	10031	0	4082	4207	7312	6244	3755	0	2789	3761	1673	3692	5304	2472	4157	12676	4716	4130	2300	4916	5078	2608	31261	31355	29259	3511	2073	1628	2027	2114	0	1687	3870	6738	1837	6214	1755	10882	5989	0	4305	4996	3026	5742	5848	3839	9982	6743	13015	0	9314	7655	4260	4215	3090	2450	1286	6562	9206	5429	3083	0	3842	5231	Phytochemical	0.3	1.1	0.03333333
2	C29 H33 O8 N3	552.2341	552.2341	-0.57257766	552.2337	0	0	0	0	0	0	973	0	0	0	0	0	0	0	295	0	0	0	0	0	0	0	0	0	0	0	0	4615	0	0	0	529	725	554	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	655	0	201	0	0	0	0	0	0	0	0	0	25862	0	0	0	0	0	0	426	0	0	0	1979	0	0	1119	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.27586207	1.137931	0.10344828
28	C27 H37 O11 N1	552.24396	552.24475	0.20202802	552.244	6611	4858	5141	6416	9155	3125	2256	4864	5944	19307	5122	2318	12247	3365	3235	5666	0	11508	7758	17459	20345	4896	6383	6661	4547	17705	4563	5032	4342	3847	4213	4303	4244	7636	20292	6416	6763	2621	3385	9632	7228	3346	0	0	0	10182	8811	0	4221	4864	8534	4058	5404	0	8559	5788	1630	4945	2982	1619	3096	4463	8899	5508	3309	7717	4032	2703	16356	32680	25033	5573	4360	4688	3346	2359	0	3515	6140	2751	5510	5199	2517	7830	6324	4825	5380	2841	2248	3037	4628	6927	7486	2216	4515	0	6734	5760	4094	5909	4492	4894	1925	3588	4350	3653	6302	0	2995	11215	Lipid	0.4074074	1.3703704	0.037037037
12	C27 H37 O11 N1	552.24396	552.24493	0.26680553	552.2441	13571	10697	11594	12081	5501	5828	11587	21277	6438	18403	11260	7055	7495	2975	10902	11295	12493	5932	10122	17517	23389	16304	14904	13421	8725	9608	6612	8581	23889	11047	14005	13390	18411	13145	22328	16124	12688	8065	12510	14837	9405	7524	0	0	0	16433	9630	0	15342	12806	10111	13370	6405	0	9397	6167	3415	13532	13815	0	0	8285	9002	5483	4080	6844	6704	12289	0	16621	12037	8811	10623	16745	8699	13369	0	9697	14100	0	8947	8468	8301	12688	7097	5252	12521	4272	7541	10489	15917	18316	23191	7628	13868	0	10096	11558	5282	5625	5767	13867	7577	15329	0	14252	4696	0	7813	8085	Lipid	0.4074074	1.3703704	0.037037037
14	C27 H37 O11 N1	552.24396	552.2449	0.24074103	552.2441	30051	26466	20369	26512	16424	13725	21108	47202	14321	45417	21639	23619	14730	7771	30871	42093	32110	19852	23719	55275	49672	39264	29761	34280	32730	32853	13864	24768	31419	31975	27644	35780	33542	23328	41349	39425	28568	29797	28982	31379	28559	20054	0	0	0	36015	29468	0	29586	35657	29192	32288	14173	0	26914	15520	11449	26289	37472	27639	31463	20110	18317	18267	8045	15044	15920	25691	36163	35514	28992	29701	25017	36472	27960	28815	0	22348	24504	0	26642	16409	24115	22547	17364	13124	23333	15425	19478	30250	38821	34618	52630	15766	23779	0	26074	26880	14091	9992	17779	38459	20548	51392	0	29669	14148	0	26169	17840	Lipid	0.4074074	1.3703704	0.037037037
16	C27 H37 O11 N1	552.24396	552.2448	0.12735736	552.244	64898	62673	68248	69480	40248	37786	52001	100322	43517	85829	51818	48772	53734	23407	69382	92523	69078	55889	75898	124852	111082	65218	75568	104497	64681	103412	51239	41495	85671	89487	78150	73964	70986	63994	96840	92243	73911	48461	56288	81963	58985	47210	1268	0	0	85669	71326	0	89920	90389	67976	60567	39324	0	64161	44283	30508	72674	60845	51341	98877	51530	51326	40407	25400	48384	37048	58780	75001	95077	89867	71659	71220	82364	69017	73630	0	53499	62371	50068	57118	44903	60693	50739	56451	39047	57422	37447	34702	71388	66443	74393	89393	36920	63385	0	71633	82169	35713	35985	45941	77388	47500	92404	48425	74081	44975	0	0	54664	Lipid	0.4074074	1.3703704	0.037037037
20	C27 H37 O11 N1	552.24396	552.24475	0.15046264	552.244	171006	0	166697	141835	149702	124701	0	212248	155028	300826	154711	100608	205637	100308	161762	162247	0	196790	237727	371042	325735	0	160769	209495	0	260374	0	124439	195492	0	141607	160528	156930	144126	0	176249	165425	114825	78011	217890	118626	0	5624	915	0	237817	159405	0	164665	153404	159990	167373	130507	401	224190	0	76160	146329	155763	67162	176666	143360	173166	0	77947	144660	110256	82909	203638	359507	238615	159319	156323	184342	100006	145505	0	121757	133689	0	110728	0	0	165674	152371	112019	0	0	99011	92071	156706	193072	216090	85525	150155	1074	149379	190834	114022	95985	130642	174955	0	204993	143540	147405	131232	0	0	192827	Lipid	0.4074074	1.3703704	0.037037037
8	C26 H37 O10 N3	552.2552	552.2564	0.38276568	552.2554	8940	6819	5214	8577	0	3360	5082	11028	3489	4782	0	0	3432	0	8577	11565	5613	0	4581	11538	7191	11430	10398	10791	13854	0	4383	0	10533	4386	5844	9456	13611	9879	8127	4113	16872	8076	9117	9147	3444	2667	0	0	0	4959	0	0	11094	5409	8085	0	3975	0	4776	2637	1704	10101	4317	0	12594	3024	0	4632	0	4500	5937	10869	0	0	0	8988	6963	8160	4263	7455	0	4674	8118	0	3429	3921	4635	4053	0	0	6381	3516	4059	9459	0	24849	24513	7287	3762	0	5010	8307	0	0	0	7113	4581	11646	0	18795	0	0	5763	4002	Lipid	0.3846154	1.4230769	0.115384616
24	C31 H37 O8 N1	552.2592	552.25995	0.1351325	552.2593	8851	11951	6884	9630	3034	2967	4146	6843	3304	12924	17200	3170	3368	4311	5967	7944	7761	5730	5462	15722	13126	6466	5457	12676	5907	37544	4098	22881	9501	7110	8501	10265	5257	9689	7442	7418	6962	4028	5819	18764	17774	6372	0	0	0	7237	8031	0	7089	8424	7856	6691	7099	0	3863	5550	2433	7159	5420	5171	13178	8622	3890	5168	2719	3290	6722	7605	35234	21553	31246	4936	4947	4834	4088	5853	0	4981	6086	6649	4749	6364	4903	12383	4188	3515	10615	3168	5859	9437	6471	7131	11792	4740	7160	0	8666	9872	2649	2915	4716	6971	3148	5123	5026	13700	5141	0	8421	4450	Phytochemical	0.2580645	1.1935484	0.032258064
26	C31 H37 O8 N1	552.2592	552.25964	0.087655805	552.2592	3450	4922	5022	5543	2436	0	0	0	0	4807	10186	0	0	2754	0	0	0	0	0	0	11051	3462	0	5459	0	21474	0	8629	0	0	3582	0	5604	2845	4865	0	2767	0	0	9275	12109	0	0	0	0	0	0	0	3118	0	4286	3729	2920	0	0	0	0	3486	0	0	0	5325	0	0	0	2427	2947	0	15700	14565	16657	3228	0	0	0	2771	0	0	2638	0	0	2952	2895	8365	5041	0	4342	0	0	2968	3491	4106	6941	3161	0	0	3382	0	0	2284	0	0	0	0	0	2885	0	0	3110	0	Phytochemical	0.2580645	1.1935484	0.032258064
12	C25 H37 O9 N5	552.2664	552.2671	0.29934746	552.26654	3245	2158	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20436	0	0	0	0	0	1386	0	2582	1363	0	2064	0	0	0	0	0	0	0	0	0	0	1696	0	0	0	0	0	0	0	2300	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1177	1510	1495	0	0	0	1328	206697	0	0	0	0	0	0	0	1001	0	0	123707	27710	0	11263	1427	0	2760	0	0	0	0	0	1342	0	0	0	0	0	1000	0	Peptide	0.36	1.48	0.2
10	C25 H37 O9 N5	552.2664	552.2673	0.21528462	552.26654	4971	4024	3667	3765	0	3534	0	1261	0	0	2032	899	0	0	0	3071	0	0	1077	0	0	0	0	1498	0	0	853	40623	1743	1481	0	1458	1824	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1199	5465	2868	0	0	0	0	0	2149	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1879	0	0	0	713	0	239250	0	0	0	0	0	0	0	1769	974	3047	315848	85414	2119	26050	3822	0	3301	3282	0	0	0	0	0	0	0	1967	0	0	1055	0	Peptide	0.36	1.48	0.2
8	C25 H37 O9 N5	552.2664	552.2674	0.45887372	552.26666	5722	5038	2422	4162	0	4658	994	0	0	1605	4997	1222	0	1081	880	2746	0	987	0	0	0	2009	1547	0	2358	0	1122	62058	1043	715	753	973	1515	1088	0	1648	1598	1292	1970	0	0	1243	0	0	0	0	0	0	0	852	3756	1951	0	0	0	1001	582	1267	0	0	0	0	0	0	0	0	835	0	0	0	0	0	1017	1390	0	1442	0	1775	916	238967	1126	0	0	0	743	0	0	1048	0	0	314793	101438	1762	23183	5545	0	5305	3494	0	0	0	1193	0	0	0	1316	0	0	1446	1392	Peptide	0.36	1.48	0.2
6	C25 H37 O9 N5	552.2664	552.2674	0.39291322	552.2666	2030	1445	1642	1519	0	19594	0	1054	0	0	885	0	0	0	621	0	1073	1293	0	0	0	641	817	1407	1482	0	1403	21896	0	0	660	1200	1316	0	0	814	1639	0	1459	0	0	1652	0	0	0	0	0	0	0	0	3105	2576	0	0	0	0	0	934	0	0	1133	0	0	0	638	624	588	1603	0	0	0	0	609	744	0	889	0	1105	1075	97728	999	0	0	0	0	0	1773	0	0	1673	144912	49476	1970	8391	1156	0	2536	3339	0	0	0	960	0	0	0	1195	0	0	777	0	Peptide	0.36	1.48	0.2
18	C28 H41 O10 N1	552.28033	552.2812	0.12626097	552.2804	44959	54917	41534	38889	36814	28578	37733	73215	30773	38950	32680	34676	45286	22659	50947	80545	47579	47064	55052	71973	67417	36501	55634	70938	47127	67056	39273	28097	76968	55474	50062	56619	65184	50930	46565	74749	52611	40444	45789	49587	36890	36078	770	0	0	52490	36327	0	63111	59393	47941	45996	38134	316	55167	42020	22498	52212	37676	32329	65734	31055	47184	43454	22301	35999	34111	47302	49551	68682	73076	49470	48456	60708	55591	55479	0	38619	55542	22916	47107	31245	39438	30064	60463	40330	53211	31828	34857	39975	52496	57391	74112	23626	41649	0	47253	49640	27951	31763	48811	66486	39918	67141	26355	42826	45027	0	43359	29364	Lipid	0.35714287	1.4642857	0.035714287
16	C28 H41 O10 N1	552.28033	552.28125	0.21876805	552.28046	16452	20189	16847	17499	10016	5274	15041	23497	10913	13167	9164	15917	13147	6023	17516	23696	22248	7532	17719	26837	19812	12656	17310	26837	16602	18505	16545	8354	21623	25274	19003	15622	22820	17375	16784	22613	20712	13698	20878	12844	10574	11038	330	0	0	18085	12957	0	22165	20849	16640	18146	10443	0	11542	10149	6024	24666	11176	16083	25329	7273	9808	10133	7219	6818	10116	19894	10088	16920	22877	17839	14485	29345	21353	18399	0	15371	17110	9590	16482	7219	13175	13623	16140	9365	20981	5090	11307	0	22729	20560	32863	8322	15831	0	20742	17483	7044	13355	10666	27114	11431	25916	7660	18091	11546	0	16716	9108	Lipid	0.35714287	1.4642857	0.035714287
26	C28 H41 O10 N1	552.28033	552.2811	0.09583387	552.2804	31702	34075	37967	30175	44502	25840	8540	32660	45108	56499	29147	15972	68046	21328	33244	35139	12711	47696	64007	78037	72756	31149	31739	45638	26930	73080	12967	30324	36610	23724	27470	29623	36152	0	78347	29483	40541	20867	19874	44451	25878	18689	0	0	0	44472	30844	0	30249	30878	41408	31063	30794	0	62958	41304	20255	35157	24527	13767	34727	24981	50597	40626	13054	39221	23542	19159	61069	111317	83095	30665	30749	28519	22278	26307	0	20980	38404	14836	30457	18668	18277	26712	51722	26681	28741	18878	20284	18242	31459	35554	52838	18229	30253	0	30722	40089	28194	34308	34866	30125	16937	34066	21253	26286	34014	0	24741	50702	Lipid	0.35714287	1.4642857	0.035714287
16	C32 H41 O7 N1	552.2956	552.2958	0.099768385	552.29565	0	1628	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40074	0	0	0	11319	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3367	0	0	0	0	0	0	0	0	0	0	27483	0	0	0	0	0	0	0	0	Phytochemical	0.21875	1.28125	0.03125
8	C26 H41 O8 N5	552.3028	552.30414	0.52885073	552.3031	1311	0	0	0	0	2171	0	0	0	0	1505	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15777	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2008	1056	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	80748	0	0	0	0	0	0	0	0	0	0	135214	36792	0	4322	1277	0	0	1516	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.5769231	0.1923077
6	C26 H41 O8 N5	552.3028	552.30304	0.2804631	552.3029	0	1152	0	654	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	756	0	0	4911	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	644	21138	0	0	642	0	0	0	0	0	0	1413	63593	10583	1154	859	0	0	0	0	0	0	0	0	0	0	0	0	0	0	751	0	Peptide	0.30769232	1.5769231	0.1923077
10	C26 H41 O8 N5	552.3028	552.30347	0.09040056	552.30286	0	0	0	0	0	2296	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28525	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1238	1758	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	117930	0	0	0	0	0	0	0	0	0	0	191727	37845	0	9630	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.5769231	0.1923077
26	C29 H45 O9 N1	552.3167	552.3175	0.09222295	552.3168	44434	42020	43646	44390	66315	29797	32102	52039	61058	46448	40246	24619	65845	39172	44288	48274	27765	63998	92720	84533	72261	36196	40514	55728	53320	67551	23500	39856	72830	46038	44901	44636	66019	44011	77876	65802	69772	36272	26586	55114	28111	34210	0	0	0	46241	28131	0	46311	39440	47588	44460	51815	0	96485	66092	28902	51734	44731	14245	59171	32107	60072	52458	21902	50365	42970	26645	69220	93400	73291	42795	42475	47348	23019	39634	0	40695	50328	25792	37354	26435	39951	36295	75139	48588	50412	24039	35138	26073	55324	66207	66160	21679	40245	0	46721	49607	41998	57835	73739	55717	23738	56905	27760	37564	60059	0	38708	60580	Lipid	0.31034482	1.5517242	0.03448276
22	C29 H45 O9 N1	552.3167	552.31744	0.06388639	552.3168	53960	51256	51755	45923	66518	40522	46851	67073	54488	52000	38643	40103	68014	31952	56071	80154	62595	64596	89039	69353	61092	44562	62554	73821	58396	67442	40187	40243	76134	66635	51226	58435	71082	43960	50556	74064	66798	46891	56138	43408	35657	47000	0	0	0	48306	39423	0	60151	59206	48085	49606	60256	0	94356	68557	35449	72111	44354	33633	73517	30965	57707	66214	30159	59210	45187	56564	55367	88579	64417	47204	53871	59368	58755	56028	0	42279	63141	25102	54645	24849	43872	30705	87997	47913	61756	35302	44696	47710	63923	74034	72293	22680	44444	0	56087	64211	51496	70656	72860	79625	37336	66936	33116	59116	68716	0	43057	62041	Lipid	0.31034482	1.5517242	0.03448276
20	C29 H45 O9 N1	552.3167	552.3175	0.12402287	552.3168	19643	14823	22400	19011	19657	12101	19308	27443	21311	9122	9972	14998	17867	7843	21510	42536	37859	19127	20205	16297	16571	7813	21137	30140	18920	19011	22892	10438	27086	22505	21975	22643	25130	22823	12466	22781	27585	21194	29514	7753	12369	19324	0	0	0	9697	12408	0	21835	22663	16666	14292	14134	0	24090	23303	14344	23706	12686	14561	32319	6083	13965	17575	12652	15769	12846	37622	14587	18665	15892	13525	18326	24689	36971	23158	0	16693	25171	15691	19814	5764	14848	8398	25882	19513	28874	8651	14011	30350	29174	21081	29737	9216	9060	0	22231	23151	16580	22661	30664	27890	13563	21104	10725	21237	26374	0	22996	15598	Lipid	0.31034482	1.5517242	0.03448276
26	C30 H49 O8 N1	552.3531	552.3539	0.08274238	552.35315	19962	19074	17640	18534	35797	11921	26743	25728	31987	6834	12889	8613	24923	15556	18379	21856	18037	23600	47006	20515	11428	10311	20226	19645	29128	17746	24046	16648	31248	24835	21737	18497	35185	16061	15011	34162	32660	18820	14455	15527	9077	13952	0	0	0	14104	8001	0	26020	21380	19646	16500	25670	0	48163	31819	12209	25803	19277	11097	19745	8630	23824	33669	8944	19325	22101	17513	14046	17792	11513	15118	17376	28524	11210	24352	0	18348	28692	10082	15248	7978	25661	15901	38755	31057	31113	12379	16902	11124	23391	28418	24449	12352	6971	0	18396	15862	18836	34209	37076	37457	11898	31288	11171	14860	37959	0	20162	21779	Lipid	0.26666668	1.6333333	0.03333333
14	C30 H49 O8 N1	552.3531	552.35376	0.096115366	552.35315	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22443	0	0	0	0	0	0	0	0	0	0	0	0	3512	2171	1639	48626	0	0	0	2072	0	0	0	0	0	0	0	0	0	0	0	0	2828	1450	1768	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3072	1740	2663	0	0	0	995	0	0	0	0	0	0	0	0	0	0	0	3611	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.26666668	1.6333333	0.03333333
16	C30 H49 O8 N1	552.3531	552.3537	0.11857364	552.35315	0	0	0	0	4192	0	0	3854	0	0	0	1143	0	0	0	2543	0	14560	0	0	0	0	0	0	0	0	1196	0	3671	2704	5057	26265	0	0	0	1924	0	1194	0	0	0	0	0	0	0	0	0	0	2472	5064	0	0	0	0	0	0	0	2110	0	0	0	0	0	0	0	0	0	0	0	0	0	1942	0	7114	0	2808	0	1618	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.26666668	1.6333333	0.03333333
24	C30 H49 O8 N1	552.3531	552.3538	0.09546432	552.35315	13464	13790	16881	18687	29777	8459	18493	19288	16590	5410	7538	8310	16536	16152	21536	18553	24365	21924	30801	8769	6852	5767	16654	16527	14630	12403	18232	9478	21926	17089	13868	17341	28713	17948	7569	23550	20359	20356	26067	9266	5323	9807	0	0	0	7809	7168	0	18349	14537	13409	12363	24794	0	30496	21845	14929	18357	11161	11319	16887	4990	20369	15408	9002	13247	16088	22939	8007	8015	5442	9951	13774	21150	15277	15679	0	12057	19712	8475	16430	5279	13851	4673	30923	20390	23053	9202	12377	17380	15655	18626	15231	4958	3729	0	15123	14313	16454	24998	32143	32934	10458	18744	5443	18253	30041	0	13100	15230	Lipid	0.26666668	1.6333333	0.03333333
26	C28 H57 O9 N1	552.4106	552.4113	0.31537393	552.41077	2669	2400	3095	3056	0	0	0	25868	0	2796	5403	0	0	0	0	17643	0	0	0	35060	0	0	0	0	0	0	5632	57385	0	6003	2564	10182	0	0	0	0	0	0	0	11963	0	0	0	0	0	15386	0	0	18301	0	2522	2077	0	0	0	0	0	16496	0	0	12684	0	0	53387	0	0	0	0	0	19955	0	0	0	11457	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20389	0	0	0	6780	0	0	0	0	0	0	0	0	6195	0	0	0	0	0	0	Lipid	0.32142857	2.0357144	0.035714287
18	C23 H20 O16	553.0824	553.0835	0.446713	553.08264	6317	4352	2145	5233	15449	6546	1448	0	14596	0	2594	0	28592	3985	1704	1800	0	10466	9551	0	0	10988	4402	0	0	0	0	0	0	0	0	0	0	0	3646	0	0	0	0	0	0	1837	469	0	0	4265	11231	0	1948	0	2404	4530	5265	0	12479	14250	3836	0	1892	0	0	3110	26474	8947	2590	14228	5313	0	0	0	2708	0	0	0	0	0	0	0	0	4346	3641	6805	0	0	12723	5450	3132	2398	3560	0	0	2315	0	12026	5135	0	3203	2667	10229	19059	18101	0	0	0	7681	0	12176	0	0	23582	Phytochemical	0.6956522	0.8695652	0.0
14	C23 H20 O16	553.0824	553.0835	0.36576644	553.08264	4952	3074	2561	3499	12756	2420	0	0	13293	0	2551	1708	20627	2872	0	0	0	6720	6362	0	0	5739	0	0	0	0	0	0	0	0	0	0	0	0	2440	0	0	1223	0	0	0	1102	0	0	0	2548	6921	0	0	0	2366	4284	3916	0	4510	10642	2485	0	0	0	0	0	24026	13443	3495	9719	3301	0	0	0	1375	0	0	0	0	0	0	0	4164	0	1653	3114	0	0	15733	0	2053	0	1357	0	0	0	0	15667	3968	0	1960	3590	8436	19308	16928	0	0	0	0	0	8494	0	0	15970	Phytochemical	0.6956522	0.8695652	0.0
16	C23 H20 O16	553.0824	553.0834	0.3236967	553.0826	3391	4527	3242	4173	14137	4174	0	0	19141	2980	1714	0	21485	2465	0	0	0	9175	6534	0	0	9637	2236	0	0	0	1334	1748	0	0	0	0	0	0	3693	0	0	1673	0	0	2674	2038	0	0	0	4007	13003	0	0	0	0	4884	6076	0	9599	15515	5267	0	0	0	0	0	37003	13108	3907	18455	3726	0	0	0	0	0	0	0	0	0	0	0	5651	6440	2407	7088	0	0	16960	4143	2846	2232	1877	0	0	0	0	13877	3821	0	4640	2330	13518	22509	19120	0	1186	0	6067	0	16580	0	0	30739	Phytochemical	0.6956522	0.8695652	0.0
20	C23 H24 O12 N2 S1	553.11224	553.1131	0.32692075	553.1124	44882	50192	69056	57453	87075	72823	9817	11265	131801	96844	46129	11750	214664	36110	20403	13735	0	116340	136293	42462	67407	188230	33493	21890	17810	33881	11560	23899	14575	10165	9915	13560	38680	10415	138798	7450	42745	20740	15235	77247	52355	22314	2425	0	0	186656	260677	0	14320	7430	23405	117426	49995	0	144439	96351	27330	13870	30920	9975	8670	82390	169012	95056	23053	101922	59018	14660	9068	25624	42597	12115	11210	8105	7255	9260	0	17675	33701	102886	35975	250076	12865	0	80822	67181	27280	22750	47485	13025	23010	40012	24499	157999	106167	0	42705	39050	96632	74286	90379	0	9735	14536	231439	16238	73058	0	20569	201353	Organosulfur	0.5217391	1.0434783	0.08695652
16	C24 H24 O15	553.1188	553.11975	0.302968	553.11896	23024	24833	27334	26377	36778	24338	5942	3983	44429	25887	15133	9506	88831	12151	14757	6864	2933	55088	36566	19464	21664	66988	18960	6889	4587	1667	5907	5011	2261	2572	8329	6023	8590	4704	41714	3209	11855	12790	4226	16852	22935	9006	0	0	0	56347	89359	0	5006	4130	18348	24680	26016	0	57109	31202	17181	8195	12305	5843	0	20907	71777	45686	12727	50794	20131	4051	6283	8832	6036	5458	3529	0	3851	4563	0	7057	23354	37415	13807	67435	4325	4123	45540	20643	16246	9127	14016	0	7119	13728	0	55910	52399	0	24176	22694	35160	40734	37964	8306	8412	5770	69044	0	29969	0	3973	70415	Phytochemical	0.625	1.0	0.0
18	C24 H24 O15	553.1188	553.1198	0.35974833	553.119	37946	48484	35218	37536	69574	48374	13632	9106	87054	51840	30676	5500	160210	19906	26874	5740	0	85068	68796	31504	32940	111768	21898	14858	7636	2470	4514	10896	0	5990	6514	9648	16292	0	64102	5238	20172	21440	4858	40624	29168	13138	0	0	0	102712	147546	0	9956	4484	32180	47846	47880	0	82178	58144	27310	10808	24696	8636	9576	40498	130454	73534	20004	68630	28096	3070	9214	17372	11720	7564	8680	0	7022	0	0	14544	20456	53640	21586	133574	5048	11592	63256	28808	22020	9998	22128	17736	15004	11914	16746	116480	82972	0	42826	31718	57634	69154	38478	6936	6812	9878	113080	7064	52580	0	5822	131720	Phytochemical	0.625	1.0	0.0
10	C24 H24 O15	553.1188	553.11993	0.4160072	553.119	11290	10824	10356	8064	20615	9220	0	0	24380	17182	11542	4368	28300	2820	3820	3826	2556	14486	27270	7674	8888	25092	7258	5694	0	0	4386	0	0	2046	3272	0	3772	0	24742	0	4126	4708	5010	6372	9126	4372	0	0	0	14962	43984	0	0	2150	6536	18456	14118	0	18504	20166	9698	4608	0	5538	0	4374	42906	20384	7106	24572	9038	7118	0	0	5224	2150	3842	0	6630	3076	0	3018	16256	16050	11072	16396	0	3516	29690	11098	9134	8136	6316	6614	0	3796	0	25462	20520	0	6606	9412	20702	35606	31968	3908	5818	0	0	3570	21810	0	2696	37386	Phytochemical	0.625	1.0	0.0
12	C19 H29 O15 S1 Na1	553.11975	553.12103	0.044865556	553.1198	10003	17110	16505	11820	21091	9711	4195	2955	26786	20863	16783	6144	37865	5637	6108	4829	7565	21883	23893	7862	13034	46818	9178	4583	1217	1461	4274	0	3391	2259	3228	3844	5999	2046	25309	2219	3423	5457	5239	7590	17595	6243	0	0	0	19843	60514	0	1590	2589	15292	12837	11420	0	23089	22493	9832	6812	0	0	0	10466	43637	19835	9046	28027	9851	6902	0	3102	5078	2681	3180	2598	4887	4309	0	3633	13157	0	11359	24500	3252	1781	28022	11297	12316	7392	7932	7598	0	5975	5458	39623	26001	0	16020	11693	23906	33416	28609	4687	3803	4845	41410	5921	22483	0	5554	36211	Organosulfur	0.7894737	1.5263158	0.0
12	C23 H24 O14 N2	553.13	553.1311	0.2786479	553.1302	7099	8783	3982	9737	6632	2489	0	2599	9116	3614	5505	4768	15735	1491	2002	0	4982	7014	4656	7152	9331	17835	7067	0	1329	0	3120	0	1313	1982	3725	1546	6706	1658	6601	1467	4369	2602	3654	4601	12599	4168	0	0	0	18626	43030	0	0	2331	3809	5985	3614	0	13150	6304	3886	4180	0	0	0	4714	26088	9976	1875	8244	3790	0	0	0	2773	2022	1400	2473	3374	2038	0	3389	2926	0	3184	15829	1124	1381	6776	2727	4146	4204	2871	0	0	2322	4358	20758	7826	0	6950	6428	4360	8578	7148	2246	3095	0	32537	2905	4722	0	2225	18477	Phytochemical	0.6086956	1.0434783	0.08695652
10	C23 H24 O14 N2	553.13	553.13116	0.32434228	553.1302	4476	3387	3526	3187	2834	2190	1014	0	7603	3483	1690	3426	10987	0	1155	1869	2417	6490	4010	3270	5877	9846	2079	1533	0	0	0	0	0	1626	1217	1607	2069	2417	5550	1274	2041	1333	1884	0	10698	2466	0	0	0	7979	21107	0	1274	1606	5550	3993	2520	0	5307	6568	2389	0	2184	2395	0	2767	12772	7690	2473	5134	2150	2997	0	0	0	1467	1852	0	2230	1183	611	1190	2780	0	959	8473	788	0	5420	1976	1676	3069	2418	2426	0	0	2799	10794	7580	0	4948	2799	3580	8449	6532	3497	2023	0	0	1957	3411	0	0	7622	Phytochemical	0.6086956	1.0434783	0.08695652
16	C23 H24 O14 N2	553.13	553.13104	0.28227094	553.1302	4143	4391	5392	2870	5384	3785	1926	2475	8171	0	1860	3047	12956	0	3283	5633	1854	10790	9934	8562	8296	17082	5471	2159	0	1318	2314	0	2687	0	2524	0	4287	1583	5945	1994	3065	3045	2599	6710	7458	3011	0	0	0	21788	30355	0	0	2722	4841	6633	3866	0	8407	5045	2932	2146	1531	2934	0	9103	21195	8501	3442	6580	3648	1960	0	0	3374	2204	2053	0	0	1794	0	2484	3806	7177	3776	22219	2376	0	6489	3105	3699	3796	3226	0	0	5743	0	19029	11781	0	5163	5740	4958	6189	6279	4109	1903	3849	26418	0	5473	0	1387	10648	Phytochemical	0.6086956	1.0434783	0.08695652
14	C23 H24 O14 N2	553.13	553.1311	0.2946523	553.1302	5232	6588	4225	6702	6102	3917	0	4764	12116	5010	4712	3551	16749	0	3067	0	3775	9046	8291	0	9250	26045	4626	2604	0	0	1012	0	3846	2295	3090	0	4061	1383	13687	1833	3827	3049	1971	8907	18186	3097	0	0	0	19238	51693	0	4451	1492	5713	6041	5496	0	12258	8097	4405	3241	0	0	0	7457	17795	10990	3282	9257	3986	5077	0	1503	0	1943	1882	2048	3958	2562	0	3351	5523	0	0	23007	2708	2279	8262	3448	4068	0	3718	0	4117	5770	6654	20699	10016	0	4500	6911	6353	10219	8975	8156	3654	2765	35942	6440	5110	0	1853	16717	Phytochemical	0.6086956	1.0434783	0.08695652
24	C29 H28 O9 S1	553.1527	553.15326	0.4114074	553.1529	9652	9596	10670	11216	9892	8276	0	0	12420	39876	6414	4706	24202	7368	10198	4004	3338	16180	16766	21876	23756	23414	10784	8272	5550	13557	0	19176	2838	0	4140	4354	5384	3984	49764	3568	8300	4630	3218	31064	13890	3992	0	0	0	57424	53276	0	3990	0	10838	10296	8220	0	17086	8886	6418	4986	7440	2948	3978	14386	16412	12398	0	10162	5300	3662	9403	21376	27254	3690	2912	0	4800	4450	0	4236	9488	8256	6572	41112	4428	12544	13780	0	6586	3156	3906	4506	10726	12914	15506	16984	29720	0	8034	0	10136	11042	0	7398	3442	8618	43114	5624	10132	0	5962	18534	Organosulfur	0.31034482	0.9655172	0.0
10	C24 H28 O13 N2	553.16644	553.1674	0.26043668	553.16656	19478	13868	15363	15178	9043	6357	6594	14897	13179	19504	10319	12266	18728	4436	11245	13698	16243	12701	13860	19853	24173	36008	12402	15852	6167	0	8427	6517	10447	14546	11406	13000	18553	11577	29226	14101	17314	10350	18122	20259	24896	9122	0	0	0	30302	38660	0	11803	13345	13280	18014	8263	0	20020	11748	8309	12962	16688	15222	12325	16866	23018	13464	7638	14650	9756	20466	0	5103	8828	14374	12300	13646	11499	12035	0	8786	14346	12052	11884	23348	8148	6943	13138	5244	8791	7380	8031	17977	6059	12923	22124	21635	25293	0	15772	22587	8322	11375	12181	16295	7651	17711	15210	12490	7067	0	8113	17796	Phytochemical	0.5416667	1.1666666	0.083333336
16	C24 H28 O13 N2	553.16644	553.1674	0.25114632	553.16656	17412	16843	19673	22957	14761	16246	9736	19799	16886	25194	10600	12845	33243	4273	22476	18145	7733	18902	27564	25361	21131	33021	18330	23507	13157	2718	11866	4481	16879	18201	19066	21427	18095	19580	36496	13235	22837	15700	11914	29051	16978	7687	0	0	0	46113	31617	0	18507	14813	22414	26576	13888	0	32734	11293	7412	14465	22128	11356	28057	24336	30684	23999	5337	18389	13198	11258	3456	9641	4099	14870	16334	15029	14510	16274	0	14904	15553	16214	11949	33991	15902	11697	16410	8073	10764	9209	11328	0	10774	22055	0	23929	27538	0	14844	19795	9193	5918	11464	20454	13333	19395	35158	16964	12796	0	13899	26792	Phytochemical	0.5416667	1.1666666	0.083333336
14	C24 H28 O13 N2	553.16644	553.16736	0.2078137	553.1665	204160	229913	187748	163498	125617	118787	82103	166331	196209	412250	195939	85561	206143	62278	124965	116008	84935	175590	206285	272644	314448	452445	127823	130599	79583	65306	72805	72900	109713	97388	111784	146626	158225	103210	517915	92955	135586	117122	90155	257184	228256	75400	0	0	0	827852	612924	0	120754	119745	209914	161285	114161	0	234423	114013	73387	157848	168877	82731	110632	208274	236749	192904	80479	164600	105535	88011	87084	103429	184732	118749	97371	114018	89022	119434	0	94161	151489	275122	104486	636422	85528	120264	138948	112094	139117	83041	101184	100658	86563	143118	139009	341055	345258	0	208058	184341	139504	120698	113854	132043	94073	144667	495682	117473	138953	0	84086	224273	Phytochemical	0.5416667	1.1666666	0.083333336
2	C27 H29 O11 Na1	553.168	553.1694	0.46239415	553.1683	4447	4257	4755	4316	0	0	5669	6365	0	295	0	14891	0	0	3552	360	2147	0	0	0	0	0	1043	0	0	0	0	0	17987	9167	13486	27226	10137	25531	0	35623	9058	2066	2546	0	0	0	0	0	0	0	0	0	4851	7561	3243	3725	403	0	0	0	0	0	0	0	0	0	0	642	0	0	0	1131	0	0	0	15396	56346	93960	4345	20542	0	16455	292	0	575	0	0	0	308	243	0	0	1121	0	0	0	0	0	0	0	3871	4741	0	492	301	3459	11635	0	0	1264	0	0	0	0	Phytochemical	0.4074074	1.074074	0.0
28	C29 H28 O11	553.1704	553.1712	0.16216697	553.17053	4826	3349	3981	4410	8030	2142	1239	0	9725	12479	7319	0	11512	3184	2719	2302	0	7906	8483	7758	9331	7570	0	0	2925	13732	1130	7105	0	0	0	0	1656	0	16217	0	0	2157	1344	3870	6287	0	0	0	0	4620	5054	0	1102	0	4693	2949	5133	0	9585	8510	1535	0	0	0	0	3319	11119	6761	2650	9788	1830	1539	16078	20103	21592	0	0	0	0	0	0	0	8210	5809	3772	2418	0	3889	13589	5548	5160	2045	1631	1803	1364	3021	0	7115	9508	0	3891	3423	5436	7436	12797	0	0	0	0	1433	7066	0	0	10021	Phytochemical	0.37931034	0.9655172	0.0
24	C29 H28 O11	553.1704	553.1712	0.13594824	553.17053	18442	16655	18129	15968	26550	9849	2776	3701	30128	68491	44647	3114	38169	16667	3317	5473	4251	20442	25343	41689	42998	20594	8564	6076	2721	54272	1870	32780	2829	2282	4027	2424	5938	2864	79344	2235	3413	3861	2304	32712	21681	6173	0	0	0	27572	28510	0	4426	2797	15278	20219	16218	0	28860	26932	7732	4725	4294	3366	6778	25144	48734	19568	9156	29049	12362	0	53129	64807	73496	3478	1741	2286	0	2175	0	2545	17346	15566	13756	18995	2998	21375	31080	17288	12271	6902	7623	3770	4950	8277	5987	30499	34417	0	19796	14967	19893	31196	27963	5407	2858	4984	20105	4099	22471	0	4467	31228	Phytochemical	0.37931034	0.9655172	0.0
22	C29 H28 O11	553.1704	553.17126	0.12268529	553.17053	29393	29775	26244	23769	37964	18680	8173	5548	52193	108883	64817	6693	41799	25143	10578	6755	3611	43635	40440	70765	72269	36881	10816	8331	8732	95554	6310	56337	5253	5381	4907	0	11385	3584	147856	3726	11460	7163	3947	43116	39202	9481	0	0	0	39667	37082	0	7502	5744	28346	27194	27067	0	43940	34565	14224	7674	8967	6219	7643	35057	50480	34450	14696	43234	16979	4195	67068	128529	120903	5103	3381	2207	3141	6147	0	8107	25040	33049	18050	25150	3928	38701	53059	28209	21504	9380	12999	12413	17126	18902	11299	41977	55566	0	31858	26139	40482	40862	45191	9500	8568	8356	23606	7411	34387	0	10011	47848	Phytochemical	0.37931034	0.9655172	0.0
16	C29 H28 O11	553.1704	553.17126	0.06662079	553.1705	8408	8361	5068	7459	7212	4287	2983	3801	13251	35188	24009	2985	5838	3535	2904	4795	0	0	10362	19592	23293	11145	4219	5113	0	31166	2326	9228	3835	3062	3300	0	5022	0	40932	5299	5176	2632	3729	9087	11554	3179	0	0	0	6373	13641	0	3265	0	8991	9056	6020	0	6717	8394	5300	5895	4064	3405	0	7233	8422	0	3456	7964	5206	4465	21715	38129	38560	0	0	4135	4191	3377	0	3001	5601	6290	7639	7529	2896	9392	9067	4377	6771	3166	2890	0	8396	4482	0	11287	11682	0	10047	8372	9784	10530	11987	0	2214	0	7230	0	6391	0	4102	9262	Phytochemical	0.37931034	0.9655172	0.0
26	C29 H28 O11	553.1704	553.1712	0.13637373	553.17053	9110	10567	8914	6460	11574	6633	0	0	20542	30568	15221	0	26697	7394	0	0	0	15251	16762	23847	18839	13713	0	0	0	26662	3434	12465	0	0	0	0	0	0	42811	0	2402	4263	0	10694	13371	0	0	0	0	8843	20882	0	0	0	11499	8159	9672	0	16558	10702	3114	3301	0	0	0	10281	25276	13967	5543	16111	4911	0	32540	42565	45636	0	0	0	0	0	0	3112	12224	15384	8308	10900	0	10126	19525	7995	9752	4680	4696	0	3558	3401	0	17439	19466	0	8106	7081	14211	20488	9002	0	0	0	0	2880	14049	0	0	21080	Phytochemical	0.37931034	0.9655172	0.0
22	C26 H32 O11 S1	553.1738	553.17487	0.53443706	553.17413	10257	8204	7066	7203	5353	7204	0	11512	16216	42304	0	0	7164	0	3379	7171	4866	15907	10120	22605	37502	13703	5097	7757	2631	0	3749	7823	2394	3244	8172	0	5771	4279	21057	2106	3313	3276	3451	14303	19012	3094	0	0	0	58750	18182	0	1910	3564	8271	15880	12708	0	8697	0	4421	14522	16466	0	9180	31570	7214	0	0	8841	14104	5740	0	20394	6820	5291	3050	2962	3668	3114	0	3503	6003	7087	3679	25818	6477	7327	9422	2986	0	10702	11554	14066	12170	25836	24270	36570	26160	0	8119	21932	5999	0	6082	5400	2279	5127	35800	4648	4351	0	3468	11831	Organosulfur	0.42307693	1.2307693	0.0
18	C26 H32 O13	553.1916	553.19244	0.19452924	553.19165	128894	118374	125260	121482	80488	76569	61922	114028	114079	300400	105956	61673	138382	46100	104893	86806	43012	128393	153337	259318	195046	179190	92356	109268	91468	69993	52843	79111	107900	92065	109091	109272	117153	110732	344979	109837	131244	85747	43445	183830	89919	54573	1307	0	0	542854	134279	0	116681	90826	133893	122768	69511	0	174729	72488	50876	96150	131883	41138	94746	125710	160586	110830	46188	113319	77932	50997	61687	142370	107343	111479	87880	116522	52313	105714	0	81519	92040	71097	86908	175411	72540	96647	76651	67083	76068	51151	61245	42452	98223	127163	125717	92090	147951	646	127811	108538	87651	68399	58754	96202	69153	109733	162232	81710	67540	0	65643	137749	Phytochemical	0.5	1.2307693	0.0
16	C25 H32 O12 N2	553.2028	553.20374	0.18188043	553.2029	32342	23478	29643	29164	12562	12997	22242	39621	22283	39935	14879	17263	25979	5531	31238	28328	10422	28347	27324	49335	32187	54798	24868	28330	39548	5642	16955	10979	36358	30883	36359	30996	53197	26317	47203	31790	41856	25882	13133	41131	14957	13814	0	0	0	37964	17282	0	28906	31431	29432	35292	17630	0	31620	10770	11451	31575	48125	7260	27148	30129	26822	20006	8799	17177	17728	16202	0	13040	8971	33147	26468	38599	13118	26507	0	25664	26801	9685	20103	22630	30186	20822	7088	15316	21392	12115	16946	0	34654	62348	61655	21883	24475	0	30937	30019	10156	9712	8877	33123	17018	36697	20764	33382	10104	0	20397	28695	Phytochemical	0.48	1.28	0.08
12	C25 H32 O12 N2	553.2028	553.2038	0.26460868	553.20294	22951	26043	25388	28694	9151	10375	24724	38459	14755	34865	11184	14371	17868	3804	18380	17841	19367	20228	21353	27066	27069	48782	24132	27890	19554	3350	12032	0	28306	22469	33125	25050	29568	26229	53370	22651	31020	21286	18924	40973	26527	10235	0	0	0	47547	20519	0	29507	20249	19213	22351	12481	0	25420	9181	9336	28279	29309	11920	18735	26448	22649	15346	6791	16003	13756	17654	0	9341	5637	24829	23307	24467	12873	19380	0	21009	24850	21430	16517	19117	21625	17307	12879	8503	20585	9158	13846	23294	26361	30028	45257	21783	22985	0	22663	27076	9286	9627	11057	28641	19584	34368	29023	24766	10538	0	18789	20328	Phytochemical	0.48	1.28	0.08
10	C25 H32 O12 N2	553.2028	553.2038	0.23545225	553.20294	15259	19316	16378	13383	9022	9834	10150	20060	9464	22325	7185	12253	17457	3098	13394	21711	9605	9982	16089	21343	18743	31227	14597	26981	13746	1844	9298	0	16214	15446	17468	18684	21202	13441	32667	19534	17469	12580	12132	23158	11141	7336	0	0	0	23186	19442	0	17536	17710	13809	19111	8531	0	17023	13200	7030	18836	17248	11793	15606	13650	11190	12453	5365	12228	8425	11906	0	4029	4438	13599	13165	15575	7644	10965	0	9903	13627	6878	9519	10132	12113	8019	23831	9589	12242	8254	9584	17410	17275	23200	30941	17922	20146	0	20122	19658	9266	19237	22582	16836	8542	18084	0	13442	13018	0	11310	14164	Phytochemical	0.48	1.28	0.08
28	C30 H32 O10	553.20685	553.2075	0.17205432	553.2069	6307	5045	6739	6592	8299	3293	1141	0	10464	14446	11395	1490	14264	5920	3171	2971	0	9948	12924	12095	10304	7108	4764	3021	0	25042	1978	9519	0	0	2009	1615	2958	1365	17576	0	4006	1639	2558	7592	9964	0	0	0	0	5196	6744	0	1861	0	5990	5687	8283	0	8449	7551	2422	2707	1976	1901	0	4526	12885	7856	3032	11116	5594	2434	26638	26813	40105	2540	1209	0	0	0	0	2093	9275	6974	4489	3189	2908	6246	12850	4250	8527	3173	3811	5084	2524	4692	4253	5737	6899	0	5342	4958	5554	12987	13567	2939	0	0	3592	3079	8021	0	3359	10755	Phytochemical	0.33333334	1.0666667	0.0
24	C30 H32 O10	553.20685	553.2076	0.15267128	553.2069	33380	36501	39270	33229	48857	22727	12118	14515	50329	96761	72633	8989	68125	27814	18373	18287	9372	44207	57251	94858	82283	42511	24122	23919	13700	129835	10246	69896	15303	8981	12500	8582	20570	11965	141030	10294	19625	12002	10031	63608	53459	14722	0	0	0	42474	37553	0	12550	10696	35846	38336	31528	0	49978	44297	22967	19394	13593	11045	23429	39888	58746	33832	17045	52289	26601	13117	106915	146562	176944	14444	10001	8070	7456	11089	0	11407	38193	27104	28587	28419	12890	50515	56390	31852	34842	20791	21754	15223	21779	20134	21894	36936	44282	0	36969	33098	38960	57412	51259	17166	12395	24211	25749	18170	43744	0	15766	49557	Phytochemical	0.33333334	1.0666667	0.0
26	C30 H32 O10	553.20685	553.2076	0.111266635	553.2069	17833	14733	15813	14700	21475	13962	0	0	28686	42702	30570	5713	36960	11895	0	10892	0	23122	25531	32975	54432	14781	11738	11813	8386	65720	2959	25434	0	0	5211	0	5059	4814	51001	0	6555	6043	0	27808	28348	7072	0	0	0	16392	25531	0	5856	0	17260	17188	14418	0	25357	22769	9978	7074	6875	5611	13045	20875	28968	22641	7177	25441	13101	7489	69262	79961	89472	4485	0	0	0	6384	0	3318	19595	15568	14038	9391	6668	20715	28976	20712	13642	7008	9846	6657	7106	6946	10853	16489	18475	0	21043	12747	17946	33018	36888	5912	4121	11006	9321	6335	20904	0	7045	23683	Phytochemical	0.33333334	1.0666667	0.0
24	C27 H36 O10 S1	553.2102	553.21075	0.48100817	553.21045	121037	75224	94234	62860	86840	47992	9537	77525	69785	195146	80216	15894	94580	27027	31041	95711	16326	63378	86896	118459	73133	155973	61051	73004	53712	61404	17385	64419	75856	58010	38869	47466	78071	79737	167060	79667	116753	23208	56998	130277	87149	8481	0	0	0	117621	75051	0	53702	29128	121987	114505	111794	0	54231	40808	21585	82711	108389	24723	62922	114876	90803	68919	7190	95710	53798	46795	69217	135086	100042	98498	98411	50649	24776	51696	0	62652	69398	27950	24751	56449	39073	64153	40080	15005	53447	70306	51083	55967	133496	87945	155046	25354	91685	0	75299	43276	60753	12623	8756	71937	45128	45887	40441	88775	25792	0	51171	84379	Organosulfur	0.37037036	1.3333334	0.0
8	C24 H32 O11 N4	553.21405	553.21515	0.42649293	553.2143	8318	7493	4439	3244	991	2798	2594	6041	1681	2179	2622	2071	2144	0	4073	3019	2424	2706	2274	1720	1659	5581	4032	8076	3709	0	2169	0	4690	3171	2186	3507	6178	3579	3344	3432	5289	2618	2822	0	1956	0	0	0	0	2967	1396	0	4413	4019	4802	4077	1173	0	2673	913	1095	5637	3338	1880	0	1471	2810	1455	0	1222	2020	4060	0	0	0	4078	3605	2193	3452	3288	0	3733	3792	0	3096	1173	1754	0	1171	0	4400	1753	1094	7009	80329	22218	12575	2746	2871	0	4969	3387	0	1173	0	5710	1897	4029	0	4165	0	0	3814	2818	Peptide	0.45833334	1.3333334	0.16666667
6	C24 H32 O11 N4	553.21405	553.2151	0.3844892	553.21423	3375	2914	3076	1980	969	1784	2274	3895	1258	2165	0	1536	1316	753	2605	3458	2755	1019	1704	1385	0	3455	2087	4993	2710	0	1499	0	3507	2508	4093	3389	3292	2601	2392	2070	2736	1625	2727	1586	0	1400	0	0	0	0	0	0	4308	2561	2515	2033	1259	0	2477	592	538	6554	0	1084	2530	0	1733	1196	692	1624	2174	2745	0	0	0	1808	2699	3386	0	2583	0	2275	1581	0	2235	637	1062	0	828	0	2646	1984	1204	3843	31249	11131	9083	2176	2478	0	2251	1511	687	643	0	4248	1997	0	0	2578	1423	0	2127	2365	Peptide	0.45833334	1.3333334	0.16666667
12	C24 H32 O11 N4	553.21405	553.2149	0.45560881	553.2143	8192	6285	7373	6085	3208	5554	0	11152	2675	6871	0	4356	1445	2152	6827	7285	3651	5534	7222	17024	7742	0	4121	8453	6711	2630	2841	0	5019	2850	10803	9697	10211	7181	9330	4670	7888	5824	6291	5842	5784	4620	0	0	0	7094	6553	0	8519	5265	3022	0	4288	0	5715	2059	1684	5304	0	0	0	3752	6629	2392	1980	0	1797	0	0	3578	2331	8452	6675	5664	0	4153	0	6099	0	0	6945	6912	6991	7237	2155	1740	7651	2164	3425	0	74870	30673	13096	0	3688	0	3302	5690	0	2460	2914	8577	3898	0	0	7218	3440	0	8580	5008	Peptide	0.45833334	1.3333334	0.16666667
10	C24 H32 O11 N4	553.21405	553.21515	0.36148113	553.21423	3948	4000	5004	4356	1367	2531	2927	6262	1230	2134	0	3727	1876	0	5692	6722	3494	2993	2621	0	0	3761	3143	8921	6207	0	3405	0	3832	4052	4234	6190	5814	4246	3961	4410	6780	3081	3775	2816	0	2035	0	0	0	2773	2602	0	6207	3334	4573	5364	2374	0	3898	0	0	4188	6244	0	0	0	2145	0	1565	2760	2745	3744	0	0	0	4727	4544	5672	1969	3716	0	2325	3483	0	2969	1220	3690	0	1976	1626	3993	1553	2191	4513	125804	31401	10353	2251	3270	0	7765	3531	0	0	933	5754	2876	6094	0	4310	914	0	2993	2688	Peptide	0.45833334	1.3333334	0.16666667
22	C27 H36 O12	553.22797	553.22876	0.19345525	553.2281	75039	73524	75395	77386	57042	58736	39538	85317	91305	193193	54455	36554	97947	36892	79181	51776	27816	105521	101509	154574	104717	100824	69674	84782	84732	48035	28088	45161	86040	57383	87384	74508	85628	62516	239905	75215	109891	53288	29824	109399	31025	34363	0	0	0	114493	45088	0	82737	60592	70398	82945	52181	0	125521	52314	30031	77051	93723	21647	68704	57632	105733	83845	24837	60257	55283	25204	35667	136121	53364	74276	61006	73792	26011	63223	0	58472	60384	23898	57129	59436	46383	43820	57878	40919	51455	26446	50713	27368	72175	105305	98999	34886	71700	0	73830	74721	40676	43135	39046	72264	44174	72509	58602	67276	47478	0	47659	117115	Lipid	0.44444445	1.3333334	0.0
24	C27 H36 O12	553.22797	553.22876	0.2396626	553.2281	39543	28342	28714	28938	30860	22890	9537	32955	29943	72278	23650	10422	44006	13477	21913	31019	6916	34462	41554	55429	38927	41057	25165	29762	23908	28878	8465	21553	30176	22730	27369	21446	30793	26377	79730	24127	41639	15524	15014	36157	19657	8481	0	0	0	41795	23935	0	21522	18832	38643	31771	32330	0	39451	19196	11615	25237	32973	5707	24664	26772	41859	32957	7190	31372	20310	12929	25077	49116	35516	33210	29125	25989	10946	24246	0	26136	24026	11860	17109	20795	14585	21797	19338	15005	18061	18848	13955	17979	31594	22717	45364	12186	29001	0	31629	25022	19305	12623	8756	26133	16356	24807	19677	30577	13042	0	16995	44151	Lipid	0.44444445	1.3333334	0.0
12	C22 H41 O12 S1 Na1	553.22894	553.2298	0.15724955	553.229	19576	23126	17542	30434	6338	9364	22866	31692	8747	20560	22126	15302	10442	3524	17830	20488	31432	6054	11492	21728	17312	19472	16474	28600	19410	14010	19796	0	24778	24062	26234	25548	23410	17888	21582	23480	23092	17924	38390	23228	20054	10834	0	0	0	19754	15982	0	31872	28558	23922	21616	5954	0	0	6864	7090	20360	0	0	52128	0	8822	12734	8644	7482	9048	29960	0	14026	18212	14344	22040	23382	24330	24142	0	17640	27428	0	20242	13070	15786	11352	10862	6952	19696	6282	13230	23604	17986	14942	32570	13288	17400	0	29630	24080	8310	15334	9494	31796	14796	28388	0	15546	9784	0	15046	14248	Organosulfur	0.54545456	1.8636364	0.0
26	C31 H36 O9	553.2432	553.244	0.12701882	553.2433	36711	30623	34490	30567	36620	23056	9897	24189	46268	50461	56452	14141	53856	25762	23141	30686	11099	34539	40512	81856	71279	27006	21954	30138	23137	114482	13415	55830	25991	18424	20424	21099	24471	16891	71137	26633	32850	20571	14867	54385	52217	18317	0	0	0	32791	29681	0	22275	24084	33928	30732	30866	0	45885	55609	21530	22672	19942	12443	25472	37648	41523	35161	13684	40795	31764	17275	118155	125941	127784	19704	14559	10901	10676	20298	0	17045	41543	21243	27263	22631	16588	42433	53457	26888	32833	20614	20514	18663	22154	25184	31789	28217	27272	0	27683	31015	28322	53102	64133	25068	14572	29625	18361	21272	33861	0	19077	34658	Phytochemical	0.29032257	1.1612903	0.0
28	C31 H36 O9	553.2432	553.24396	0.10455768	553.2433	9953	8382	9056	6262	8478	4452	3200	3136	9020	12665	12717	1897	13151	6989	4940	6980	0	6523	11536	15415	13327	5678	7774	7287	6042	32390	3828	13583	4930	0	3533	2509	5667	4634	15002	5034	4476	3346	5236	11244	14621	3630	0	0	0	5720	7558	0	2947	4681	7048	8865	7557	0	10941	10373	3190	6178	2346	2126	5792	6178	7838	9957	3433	13718	6055	4084	36210	35557	46530	3556	2450	3905	0	2750	0	3241	11701	6450	6668	4392	3461	8712	14069	6476	9953	4176	3237	6367	5582	6982	5131	7154	7776	0	10358	7216	8060	19005	18991	6469	2759	4958	3030	5898	9859	0	4566	9929	Phytochemical	0.29032257	1.1612903	0.0
24	C31 H36 O9	553.2432	553.24396	0.12590855	553.2433	74378	68830	72610	67565	67731	40340	29550	53069	74806	132743	125697	29433	84472	52398	44672	57098	42987	69748	88900	151458	129641	69338	57949	56388	44772	242761	30463	118626	47844	41511	40035	44977	49530	42163	159871	42846	58626	39501	45129	120478	93621	33814	0	0	0	71795	63197	0	52663	40931	65864	60934	52156	0	86633	73444	38658	60258	49446	29335	56638	71878	89514	64759	28229	77552	49344	40886	195762	261112	260096	44605	34103	30145	32069	37031	0	37824	78020	45859	58753	53912	39417	92133	85080	48430	71463	33358	44402	48188	53925	65204	75606	58794	72476	0	80473	74860	56199	80979	83343	57184	31743	66998	42879	54139	55463	0	43930	77173	Phytochemical	0.29032257	1.1612903	0.0
22	C31 H36 O9	553.2432	553.244	0.11558346	553.2433	84126	81271	76681	75788	79348	51118	33999	56149	78203	126696	141926	39455	71604	53488	60139	76035	54539	70434	78853	155690	139940	76978	65228	78281	55438	233440	39336	115815	57677	50565	60735	66285	65502	46691	174159	54497	63832	44244	51677	122430	118747	40033	0	0	0	72198	65761	0	55750	57721	79798	86303	51733	0	80926	83506	48405	66928	49288	41190	64347	81979	87531	71336	39258	71288	62363	56960	195625	274912	274388	53938	47563	45315	45407	48648	0	48185	93216	53680	71491	51798	49018	87273	87796	57390	86023	46050	39885	72507	71873	82333	86981	63993	83903	0	79311	76543	56785	85064	67857	64877	40547	78541	49493	61091	62459	0	59192	81695	Phytochemical	0.29032257	1.1612903	0.0
10	C25 H36 O10 N4	553.2504	553.2512	0.35371962	553.2506	5984	6797	7181	4469	1669	0	0	2113	864	0	2204	0	0	0	1972	0	0	0	1450	0	0	3930	1099	2798	2250	0	1100	9782	1771	1811	1857	2234	3001	2016	2145	2187	2884	1535	1426	0	0	1427	0	0	0	0	0	0	2998	1180	3703	4603	1876	0	1698	792	0	2714	0	0	0	0	0	0	0	1102	0	1339	0	0	0	0	3647	1880	0	1594	0	1202	1849	9413	998	1207	0	0	0	617	2478	979	1248	2999	621947	193423	3800	6202	4220	0	8012	5094	0	899	0	1965	1225	2386	0	2109	0	0	2662	0	Peptide	0.4	1.44	0.16
8	C25 H36 O10 N4	553.2504	553.25134	0.3965994	553.2506	5601	8725	5941	6765	1294	2825	903	2343	844	0	1864	0	1215	0	1469	2962	0	1727	1379	0	985	3802	854	4290	2494	0	2358	9242	1120	2980	2222	1650	1881	1788	2023	1984	3855	1151	1397	0	0	768	0	0	0	0	0	0	0	2121	5162	8167	0	0	1854	0	897	2469	841	0	0	0	1173	759	0	1020	1462	1964	0	0	0	2405	1561	1192	0	0	0	1095	1376	11690	1532	655	0	0	0	0	1881	932	2029	2736	644554	239922	4615	7181	6711	0	6800	7459	0	602	0	2443	1422	2773	0	3390	0	0	1220	0	Peptide	0.4	1.44	0.16
6	C32 H40 O6 S1	553.26184	553.2622	-0.28827807	553.26166	1018	1039	0	900	0	918	470	0	0	0	0	507	591	392	998	0	0	0	0	0	0	0	779	0	1013	0	0	0	0	703	0	0	1369	931	0	0	0	1124	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	854	0	0	1044	0	0	0	0	0	0	0	0	0	0	0	0	0	765	0	1139	0	999	0	0	0	28856	700	0	0	0	0	0	626	0	0	1281	0	4251	2165	761	0	0	0	951	422	0	0	0	0	0	0	991	0	0	892	0	Organosulfur	0.1875	1.25	0.0
24	C28 H40 O11	553.26434	553.2651	0.10286537	553.2644	39676	38908	38346	41585	32320	34171	22613	47732	46181	98531	21499	17287	60964	18903	48190	34687	15020	57796	73961	79490	56516	50725	36128	39024	46619	21830	13874	30509	49128	42388	44077	44736	56074	35944	126622	48673	74441	30706	18546	52016	13389	26329	0	0	0	37503	12350	0	43840	36475	36024	37974	26245	0	76459	34784	16381	44196	53550	8676	37146	25510	59895	44166	16014	43719	30606	13620	16241	61555	22592	44492	38509	43564	15549	32428	0	34755	29731	9883	27489	15528	32501	27119	29162	23743	26506	15349	28524	13971	51084	69102	71753	19990	37812	0	40308	43490	23422	27755	26312	42850	25472	46879	24069	35225	25801	0	26073	55885	Lipid	0.39285713	1.4285715	0.0
16	C28 H40 O11	553.26434	553.2653	0.26481277	553.26447	14629	13367	17030	22761	8078	5880	19495	29008	13674	13014	9970	13165	7752	4945	22125	27498	24078	6898	16991	14621	17566	12800	14492	25385	14108	8777	21884	10544	22506	23012	22740	24693	24198	13794	12366	27736	21284	16411	30521	9823	9079	12003	298	0	0	10411	9288	0	25882	23553	14723	17132	9196	0	20761	8079	8017	23203	12985	10875	22714	6548	12074	12584	7913	11481	15129	21171	6485	13345	14138	14805	16186	31526	25808	25516	0	13657	22103	7518	18360	13012	17483	7100	16110	8747	25391	5959	11487	0	57613	21104	0	4831	11070	0	18706	19414	11335	14115	13058	31957	16487	18883	5558	20689	11867	0	19094	9920	Lipid	0.39285713	1.4285715	0.0
14	C28 H40 O11	553.26434	553.2653	0.3193669	553.2645	4258	4186	6177	5790	0	2094	9084	7857	2053	2221	3051	5672	2803	0	4229	9841	14052	0	2276	5377	3981	4454	4069	4878	7513	2133	8540	0	8159	9681	8712	9712	6644	4615	4023	11362	8181	5979	10906	2552	0	4176	0	0	0	3538	5339	0	8635	7957	4024	9243	3379	0	2683	1754	4095	10280	8291	5305	0	3190	1502	3273	2297	3176	3902	10496	0	2442	1394	7309	7016	14918	13229	9929	0	6992	7337	0	7333	1493	5984	3757	2556	5274	9655	2958	3777	8942	24638	10287	4454	0	4798	0	7543	6220	2562	4350	6928	9184	4775	8776	0	4953	2382	0	8698	0	Lipid	0.39285713	1.4285715	0.0
18	C28 H40 O11	553.26434	553.2652	0.16187204	553.2644	45940	37291	44694	42305	25700	24253	39922	50123	28251	52379	40306	25932	26885	11286	44581	55679	38615	34776	38563	56388	38269	36329	43314	56885	36998	24086	35492	23722	47797	46243	49572	57781	56401	50835	64068	54573	42615	36966	46361	27366	24244	22338	829	0	0	25613	24305	0	67895	46703	52677	35717	30788	207	42864	35344	19255	45479	40978	28117	45558	21114	32621	34196	17734	28165	23518	43053	18780	39402	36927	42389	40095	53792	46179	54911	0	34623	45268	22475	41434	25656	39058	23672	30653	24777	45349	19862	30791	36494	35829	50984	64539	20104	33032	0	43150	44759	21737	34973	35587	56267	32203	55165	19036	39030	27317	0	41205	32978	Lipid	0.39285713	1.4285715	0.0
22	C28 H40 O11	553.26434	553.26514	0.09994218	553.2644	85697	89282	78622	80811	57453	59472	47277	102691	84434	163067	61790	40540	89189	30713	90389	67870	37351	105482	118679	148539	99202	99160	73903	88130	97704	47230	43395	53461	111772	88352	93218	107727	104195	78353	198340	89709	132521	71417	38544	84273	29216	44460	0	0	0	77404	28832	0	88465	68340	71279	87732	54321	0	138816	64653	36796	84830	99336	24841	82776	59352	105253	91272	36362	74295	58057	37250	36113	108343	40133	79702	77279	91785	44298	74020	0	68501	73192	26457	53962	40379	65750	44294	63475	52021	69661	38355	52411	35324	91982	127486	107563	44466	72477	0	81093	80485	53665	56715	49896	99808	60420	98853	41335	75031	56720	0	61613	105209	Lipid	0.39285713	1.4285715	0.0
20	C28 H40 O11	553.26434	553.26514	0.11873306	553.2644	81922	81265	70207	71354	49519	47672	60684	92084	64121	115232	60531	86235	76074	38388	89962	79650	47908	61498	95250	117988	89797	72881	71834	81923	69245	43167	51613	58056	127272	110854	82773	98034	106601	85921	141997	103043	96766	65032	58359	76369	43075	45205	1012	0	0	70036	43907	0	108742	77880	80240	82558	45897	0	106011	62497	36545	90114	77498	32783	66478	51928	74718	78277	49659	58106	53614	50285	34138	80478	46022	77629	92053	85467	81502	87373	0	76700	75262	37987	64050	39301	68790	67286	51026	44317	73575	33946	57300	49456	72315	109320	104764	39771	51593	0	66575	80708	39736	57862	55653	85950	67017	115532	46996	63576	48007	0	59148	84976	Lipid	0.39285713	1.4285715	0.0
20	C32 H40 O8	553.2796	553.2804	0.14278398	553.27966	25214	26051	16508	20900	12504	6949	20499	24072	11481	15106	17579	21485	7744	12355	25776	26033	43874	8159	19221	19125	25909	15127	19023	25135	23864	37425	25372	18438	24519	23116	15179	23557	28252	14508	23172	28482	26044	19816	46253	20005	31057	11020	0	0	0	13284	16125	0	29733	27184	24823	28020	16449	0	20163	20730	15898	30396	16785	25612	25343	16034	10023	12679	11943	13982	14177	44195	24475	35045	51777	14605	16858	26909	31428	22842	0	14837	33792	17749	24275	10817	22653	23248	18740	13341	32401	11611	16220	33645	21047	20670	30701	10032	15695	0	19560	22768	18170	25789	18893	28781	17848	28337	13223	20462	16030	0	28072	10518	Phytochemical	0.25	1.25	0.0
28	C32 H40 O8	553.2796	553.28033	0.05405828	553.2796	11625	10704	10677	7200	10640	5504	6141	11904	10902	9417	14104	4144	12287	7959	7791	10727	11915	7215	14556	21186	13503	10288	11403	11290	11648	38432	7120	17595	10036	7962	6681	7983	13063	5913	15410	12698	12942	7525	9966	15338	12060	7549	0	0	0	7405	5968	0	8653	7142	11819	9355	10091	0	14377	18113	5247	11263	6577	4452	12199	8592	11951	10254	6787	11064	10287	9339	34003	29070	40177	5479	4380	11045	3766	8598	0	5987	16012	7110	11173	5884	8014	12950	18755	8660	19738	7113	7867	9543	12685	10698	12362	9492	6971	0	9318	10219	7635	28316	31990	10449	4927	12418	7902	11939	11782	0	8259	8748	Phytochemical	0.25	1.25	0.0
26	C32 H40 O8	553.2796	553.2804	0.110864684	553.27966	55399	55497	52178	46289	43546	32053	24676	62821	53362	61371	88227	32892	58382	49601	47399	57996	44732	57033	75829	104537	92310	49995	45710	64429	59450	172976	26921	88639	55045	59357	42547	48382	56371	38771	87764	55717	71994	42117	40143	78532	71854	42746	0	0	0	51294	43249	0	47617	50462	63280	54712	41547	0	65417	69744	32509	54903	44216	29720	51764	52170	51970	46044	27821	50637	46834	47989	167907	144624	148843	42079	44239	44326	25270	44205	0	39316	66729	43188	52010	32105	44742	64984	69882	52428	68189	30136	36252	47691	45058	52828	78278	45415	50799	0	56439	62515	40337	78524	82533	66671	30288	70224	32499	48558	51082	0	39879	48038	Phytochemical	0.25	1.25	0.0
22	C32 H40 O8	553.2796	553.2804	0.087870635	553.27966	55026	54941	51751	56005	32971	29437	48607	58449	50433	58721	71844	43102	33345	31339	47599	65994	71958	31943	51393	87434	79043	53037	50334	59603	54554	144346	47006	64040	54626	51135	53525	57272	63305	46675	70354	53207	61487	47578	72942	69367	72790	32555	0	0	0	39962	46880	0	46637	59165	59282	58755	35777	0	53317	45824	32505	66666	44412	45896	61625	48717	44296	39799	29564	40867	38676	73140	96469	130057	144892	37092	34876	46287	56808	43683	0	37979	77077	40559	57414	35877	48043	50422	58174	37799	70961	33245	37666	72848	49834	70743	70035	39749	47439	0	42748	56256	39749	55717	47157	66088	40851	70288	26495	51365	39403	0	60090	32321	Phytochemical	0.25	1.25	0.0
24	C32 H40 O8	553.2796	553.2804	0.12724154	553.27966	80627	85812	90380	75243	60465	39974	49116	81628	66889	98560	126655	48887	75151	51005	67698	94646	71292	56039	93196	149217	115086	72152	63795	77846	67638	222115	50710	119689	67876	71821	64055	73738	89262	62604	128122	83487	90041	52923	80448	111200	106255	47072	0	0	0	68219	61536	0	75342	67451	85355	79614	59018	0	85562	81869	48434	83680	64438	51882	80585	76853	68633	64524	40018	64985	60607	81253	171685	210489	234079	56650	57407	88493	56181	68293	0	48413	97218	55753	72843	47602	63275	100297	85681	56693	94478	46400	55424	87347	73072	81127	108510	65510	71533	0	78720	84388	51450	88342	86876	99430	47833	95109	41707	78746	57966	0	69169	64569	Phytochemical	0.25	1.25	0.0
24	C29 H44 O10	553.3007	553.30145	0.09085063	553.3008	30808	32481	28031	29120	24346	20635	32451	33325	28404	36193	14745	11293	34685	15022	32628	29811	17935	36043	44540	35402	28452	27173	20026	24919	31129	9123	21811	26593	42608	28720	34463	39734	45826	27571	51660	33787	55051	23837	19004	23853	8708	17010	0	0	0	17727	6513	0	38758	26482	27909	28655	21656	0	55739	26057	11566	33657	35846	8753	23873	17497	34412	30553	14552	26142	22124	18721	11145	26912	11680	24971	27000	27295	16062	30710	0	24702	24572	7875	20880	9427	30761	20302	28895	17780	25407	14155	20431	16124	39664	40567	40606	11097	21118	0	24207	28414	13742	22579	22843	42846	18207	40710	13542	30540	13978	0	19838	38770	Lipid	0.3448276	1.5172414	0.0
22	C29 H44 O10	553.3007	553.3015	0.08315144	553.3008	27057	22781	27597	22726	21524	17564	31677	33921	26759	28300	16021	14682	24006	12311	26126	29574	22184	21403	35151	23055	25766	18669	21178	27912	25571	13835	31316	17339	38138	30065	38525	41413	52520	27127	24638	40333	28709	24317	22579	15048	8591	15141	0	0	0	16778	6814	0	38744	27784	22793	22619	15595	0	46515	20339	15706	33165	27152	11396	31012	10681	29341	26951	13811	21556	22556	24785	7647	13469	14153	27791	28145	35167	23655	32047	0	20737	24036	8225	18600	9214	36200	16697	26625	21635	24302	12616	23525	21150	34259	37451	37964	12355	20601	0	26322	25173	13449	28620	30163	47282	22831	35742	10062	28251	19804	0	21875	25594	Lipid	0.3448276	1.5172414	0.0
26	C29 H44 O10	553.3007	553.3015	0.113539	553.3008	9522	10855	9821	12264	8482	7545	11516	15500	12900	15571	4256	4394	14625	6663	12005	10553	0	13573	26476	15825	15376	11411	8027	11622	12802	0	6855	12824	21972	13983	12544	12547	17638	13669	22587	18575	25524	13126	4556	11519	3691	11357	0	0	0	7012	0	0	13619	10932	14675	8411	10270	0	26815	12868	5359	15378	16369	0	14310	6536	18231	12139	5448	12566	9554	4550	0	15830	4315	13147	14012	21525	0	11115	0	9200	8341	0	6348	5169	15161	10467	7338	6558	10192	5808	6986	5315	22557	24810	25077	5609	10661	0	9832	9782	6133	12053	9332	17119	6362	16074	9592	11108	10169	0	7369	16347	Lipid	0.3448276	1.5172414	0.0
20	C29 H44 O10	553.3007	553.3016	0.13086042	553.3008	15602	13570	14714	15230	6727	6094	16850	11650	16193	10008	6155	10729	11732	6370	10795	19908	14788	8689	20800	12907	5719	7786	13392	14425	12799	5308	17369	5162	24186	22973	19109	24851	20896	16488	6966	25361	22295	12853	20306	6602	6208	8412	0	0	0	7440	6114	0	23833	16964	11853	14475	6524	0	12178	10679	5703	26038	13179	8263	15109	3662	12979	11280	8663	6204	9054	19800	3195	4760	5904	12805	16308	17988	22644	20198	0	8975	15287	3881	7794	6745	20290	0	13885	10596	17933	5416	12832	14450	12808	12941	13187	4640	3386	0	13002	15011	7092	16536	14977	21229	10308	31117	4904	12377	14042	0	13169	11503	Lipid	0.3448276	1.5172414	0.0
22	C33 H44 O7	553.316	553.3168	0.12028922	553.31604	11435	14296	10479	8194	5481	1885	15663	12069	10435	3994	11769	9551	7286	0	14632	18915	30443	3130	10062	7336	7366	5563	7480	14799	12261	14085	17775	14769	11039	15347	10487	19228	14970	5296	7232	20876	15930	14326	35424	4414	14460	6009	0	0	0	3285	7915	0	14804	11081	11119	11703	6602	0	11933	15819	8001	14814	9774	12886	16304	2970	2313	9493	7436	4546	6501	37159	11907	14659	17141	6735	7288	14495	21056	11227	0	13597	24111	9147	14973	5656	14046	6274	12829	7226	24732	6307	6947	31603	11724	10771	18886	9251	4919	0	10520	9819	9276	22256	19400	19740	10055	9796	3747	13157	9718	0	19293	3147	Lipid	0.21212122	1.3333334	0.0
28	C33 H44 O7	553.316	553.3168	0.10676073	553.31604	9992	10467	11608	10713	9398	3651	11325	13867	11241	7316	12966	8400	12957	7406	9775	11337	13648	3959	16633	12468	9104	7673	9804	14211	14595	29476	12569	17694	15673	23740	14629	15619	17805	10776	7637	20868	13907	11318	12030	11568	10159	10620	0	0	0	6472	3613	0	14301	15421	11887	11914	10097	0	16796	22920	8241	16568	9454	4598	16809	7469	8314	10753	6732	13504	11660	15797	27700	15108	19664	7396	9016	14065	8556	14392	0	7591	19467	11835	11733	7044	11397	15268	23794	8057	25082	4674	8871	13042	11485	13055	14630	11409	7494	0	14370	11304	7680	38521	40117	23060	10099	19062	5932	14202	14104	0	11221	6974	Lipid	0.21212122	1.3333334	0.0
26	C33 H44 O7	553.316	553.3168	0.090245716	553.31604	39725	42225	39874	37443	27271	15985	32916	49108	38005	27202	60112	38898	33945	24183	44133	65179	60732	23130	41726	55296	45873	33556	38606	43264	54609	102175	34585	58372	48573	65997	49099	46077	53604	33040	34180	64807	50413	34705	53009	44771	48948	29285	0	0	0	28860	30299	0	46445	54802	41666	43407	30103	0	53779	66851	32031	62162	36087	30312	55956	34178	32639	31266	23706	30919	32213	61491	82733	65755	74912	30208	32610	52838	44018	46536	0	28706	60938	43973	40245	20176	44299	48181	52649	41498	61542	24317	32402	43918	42279	50022	51806	32752	28006	0	44489	39801	29733	86116	87064	68551	29420	63156	20609	41407	39272	0	43149	21496	Lipid	0.21212122	1.3333334	0.0
6	C34 H48 O4 S1	553.3346	553.3357	-0.18316936	553.33453	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3254	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	788	0	0	0	0	3063	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1241	0	0	0	0	0	0	4239	0	0	0	0	0	0	0	0	0	0	0	23864	0	0	0	0	0	0	0	0	0	0	13591	893	0	1255	0	0	0	613	0	0	0	0	0	0	0	1529	0	0	0	0	Organosulfur	0.11764706	1.4117647	0.0
10	C34 H48 O4 S1	553.3346	553.3352	-0.27476138	553.3345	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1425	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1701	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2606	0	0	0	0	0	0	0	0	0	0	0	22070	0	0	0	0	0	0	0	0	0	0	38232	5131	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.11764706	1.4117647	0.0
8	C34 H48 O4 S1	553.3346	553.3357	0.29066098	553.3348	966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29301	0	0	0	0	0	0	0	0	0	0	51312	8228	0	1929	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.11764706	1.4117647	0.0
26	C30 H48 O9	553.3371	553.3375	0.08558885	553.33716	3907	5379	4737	3568	3075	2636	31629	0	3603	1549	0	0	0	6495	0	0	0	0	7705	0	0	3726	0	0	0	0	21989	5615	6145	0	6922	4418	8777	6133	4151	9565	11102	5697	3986	3373	0	0	0	0	0	0	0	0	6585	0	3921	3606	0	0	9901	0	0	8063	8009	0	0	3116	2050	3019	3146	4684	4097	4895	0	0	0	4987	5497	0	0	5535	0	3218	2948	0	2592	0	11389	7118	0	0	4997	2625	2985	4295	16055	12418	8831	0	0	0	4220	0	3010	6088	0	10084	0	8648	7169	4624	0	0	3099	3579	Lipid	0.3	1.6	0.0
24	C30 H48 O9	553.3371	553.33777	0.08647499	553.33716	2511	3549	3477	3433	5380	2831	22536	5631	3361	1726	0	2629	3584	3683	2956	7312	5410	2361	9324	1995	0	2237	4560	3209	5502	0	12438	5055	8014	6514	5509	7921	5748	3942	2040	9123	9219	2672	6572	1162	0	2506	0	0	0	1842	0	0	7292	4808	4326	5941	5099	0	8586	5631	2912	8372	5544	2955	4763	0	4910	3680	3016	4420	4921	7280	0	2585	0	4882	6215	8964	3442	6481	0	4232	4087	1588	1093	742	14840	7040	6457	0	4612	2176	4074	7095	8960	8688	5187	0	0	0	5038	5448	2735	7889	7094	7902	5383	4997	3568	4069	3137	0	5791	4613	Lipid	0.3	1.6	0.0
28	C34 H48 O6	553.35236	553.3531	0.1618494	553.3525	3976	3265	2975	3689	1572	1144	10148	4188	2677	0	3064	2334	0	3886	5419	5404	5935	0	2965	0	0	1845	3425	2790	8027	5777	8379	3939	5748	7456	3450	5415	6285	2713	1216	9670	6629	6741	8415	1175	2620	3133	0	0	0	3073	0	0	4530	6642	3558	4702	2527	0	5976	11549	4068	5778	4062	2208	5732	1170	1219	4336	1717	3156	5270	12119	3072	1254	1888	2398	2459	8832	0	4450	0	3376	7810	5593	2002	2582	4867	4592	8853	4622	14644	1028	1811	8062	3830	2869	6330	2414	0	0	3877	3750	2609	22612	25840	11142	2465	5670	3126	6674	8654	0	7335	0	Lipid	0.1764706	1.4117647	0.0
26	C34 H48 O6	553.35236	553.3531	0.074048355	553.3524	7799	8428	9069	7525	3248	0	9003	8342	7596	0	7149	7211	6836	8068	8398	17564	24199	0	5984	0	0	3436	0	7936	12936	9559	12278	9416	12634	13778	6860	13097	11477	5409	1733	11606	7955	12298	22291	4503	7751	0	0	0	0	0	0	0	8413	12299	6576	10908	5098	0	10768	21241	6964	12343	6179	8895	12318	0	3306	5461	5250	4847	8935	27858	6145	5559	7146	0	4316	11571	10235	11726	0	3956	17310	9276	11074	0	10531	5660	15758	10643	27705	0	5522	26655	8909	7694	10909	8468	0	0	7078	9168	5186	23753	30572	17602	6627	13894	0	10601	9438	0	12565	0	Lipid	0.1764706	1.4117647	0.0
26	C31 H52 O8	553.3735	553.3734	0.06718534	553.37354	0	0	0	0	0	0	23170	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14847	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2793	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2044	0	0	0	0	0	0	2189	0	0	0	0	0	0	0	0	0	4965	0	0	0	0	0	0	0	0	0	Lipid	0.2580645	1.6774193	0.0
28	C22 H19 O16 N1	554.07764	554.0785	-0.01908658	554.07764	4412	4013	2627	3769	6221	3766	0	0	9404	0	0	805	22516	3445	0	0	0	6937	7863	0	3625	6888	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3328	0	0	0	0	4772	15193	0	0	0	3299	4206	3847	0	8515	11935	1858	0	0	0	0	4161	16240	8112	2248	6890	1586	0	0	0	0	0	0	0	0	0	0	0	1135	5401	1282	5411	0	0	8922	2355	1686	0	0	0	0	1549	0	7300	0	0	3122	2740	6401	3799	7007	0	0	0	10360	0	5909	0	0	17545	Phytochemical	0.72727275	0.8636364	0.045454547
24	C23 H23 O15 N1	554.1141	554.1149	0.11992635	554.11414	20929	29443	18502	11805	26796	16479	0	3531	24555	20129	6819	4599	69402	13665	7281	0	0	46911	26358	15192	32010	30471	10947	7188	0	0	3984	0	0	0	0	0	1441	0	26523	0	4089	4086	0	19608	19715	0	0	0	0	63941	142671	0	0	0	14181	8133	15918	0	42423	29109	7923	0	4341	0	0	25173	42330	22563	7338	24414	6501	0	4377	0	8334	0	0	0	0	0	0	7082	11424	42825	7668	182186	0	5133	46910	10344	4674	0	7389	0	4689	0	8724	35700	36645	0	19338	13653	19473	15192	21885	0	2445	0	113081	3108	25707	0	3387	66524	Phytochemical	0.65217394	1.0	0.04347826
18	C23 H23 O15 N1	554.1141	554.11487	0.043534137	554.1141	11858	15187	11883	11254	32016	17814	1659	2275	26955	10151	6635	5468	78729	9687	6117	5892	3616	30499	34637	12060	19565	29473	11239	5812	3156	0	1172	2325	0	1617	0	2887	4554	0	13106	3054	4472	6975	2118	10834	11150	12876	756	0	0	41640	99160	414	2437	1573	11150	16218	18773	0	39486	34699	11982	2625	3491	3267	4314	18922	43060	30995	11418	30296	15051	4515	6520	0	4181	0	1228	2251	2534	0	0	4144	10278	38410	7949	45049	1715	3519	43624	18907	7291	9101	10647	3884	0	7049	6690	47694	28478	0	13065	15741	27220	28469	38447	4732	2823	3440	74325	3587	33877	0	3267	37169	Phytochemical	0.65217394	1.0	0.04347826
10	C23 H23 O15 N1	554.1141	554.11523	0.25239453	554.1142	2838	1455	1752	2135	7376	1763	0	0	5083	1823	0	0	12727	0	1073	0	1480	5367	7106	0	5656	5797	1033	0	0	0	0	0	1095	0	0	0	0	0	4870	983	0	715	0	0	5796	1462	0	0	0	3871	21548	0	0	0	2117	2944	4731	0	4830	7234	3053	0	0	0	0	0	13913	7612	1094	6469	1853	2381	0	0	1399	0	0	0	0	0	0	0	0	0	0	3589	0	0	7928	2047	1575	1079	1406	1924	0	0	0	7984	5278	0	2036	3249	7155	9675	10394	1447	835	0	0	1118	5277	0	0	11655	Phytochemical	0.65217394	1.0	0.04347826
28	C23 H23 O15 N1	554.1141	554.1148	0.10424467	554.1141	4344	4218	5876	2309	9462	3839	0	0	6362	6683	2574	0	18487	2142	0	0	0	9460	10207	10045	11366	10460	2317	0	0	0	0	0	0	0	0	0	1296	0	12038	0	1243	0	0	5907	6669	0	0	0	0	22904	42355	0	0	0	6733	5466	4107	0	8799	6805	1796	987	2225	0	0	5081	12088	6886	2060	6696	3007	0	2774	3673	3312	0	0	0	0	0	0	0	1465	7823	1830	21484	0	0	8197	3767	2666	1802	1670	1806	1230	1472	2354	19770	8522	0	5548	5822	4614	2841	3441	0	0	0	33812	0	9633	0	1171	13750	Phytochemical	0.65217394	1.0	0.04347826
20	C23 H23 O15 N1	554.1141	554.1149	0.117904216	554.11414	26373	27522	22008	33885	54432	40158	3546	0	81444	12222	17942	11904	136980	20250	10362	9375	9135	88260	58776	37143	57735	175074	12498	4929	10287	1249	0	0	4917	0	0	4509	7290	0	39570	0	0	12831	5742	28711	29055	16845	1344	0	0	131073	253587	0	8790	0	18258	33126	42057	0	106920	64731	22701	0	8505	9885	14598	32580	104427	70998	26394	53436	23868	7191	9033	8004	12741	7041	0	0	7611	0	0	7719	28677	104361	17937	112662	0	0	94320	36705	21888	17967	23802	0	0	13509	15702	107172	78447	0	35322	35697	70998	56985	80451	6228	13743	13965	226119	6444	75792	0	5793	93885	Phytochemical	0.65217394	1.0	0.04347826
26	C23 H23 O15 N1	554.1141	554.115	0.002376748	554.1141	3702	4566	2798	4504	7725	6272	0	0	6484	6770	0	0	18059	0	0	0	0	11093	6457	5999	9603	11663	0	0	0	0	0	0	0	0	0	0	0	0	7474	0	0	0	0	0	5489	0	0	0	0	19120	52937	0	0	0	3338	5764	4632	0	12583	8513	3045	0	0	0	0	6254	15900	6881	0	6015	3292	0	0	1961	4218	0	0	0	0	0	0	0	0	7221	0	26600	0	0	9523	0	0	0	0	0	0	0	0	10010	12168	0	4416	0	5815	2660	11787	0	0	0	31081	0	6628	0	0	14591	Phytochemical	0.65217394	1.0	0.04347826
16	C23 H23 O15 N1	554.1141	554.1149	0.11953899	554.11414	12188	9913	13572	12372	29871	12942	2265	4301	32968	11234	7906	5779	71122	6491	5645	2435	3934	31913	44028	10610	25326	38214	16314	4763	2315	0	4484	0	2089	2002	1934	0	3804	3204	18943	3515	0	4421	4095	10515	15525	12303	590	0	0	41782	96433	0	2563	5125	14988	14377	18427	0	42751	39146	9739	2915	3543	6765	0	13976	56765	26132	13263	36008	14538	3249	7211	2699	6385	2336	1404	0	3311	0	0	3806	11880	42743	10110	43278	1173	3875	43994	17479	7348	9777	9820	0	0	4574	0	48548	35205	0	19523	13679	27912	30175	44037	6372	5931	2457	81373	0	35774	0	2322	51150	Phytochemical	0.65217394	1.0	0.04347826
12	C23 H23 O15 N1	554.1141	554.1152	0.21916789	554.1142	4090	7447	6193	4573	13256	1866	0	1432	13981	5742	6460	3298	28787	1973	2167	0	2683	19548	14257	5709	14515	14015	4925	0	1213	919	0	0	1285	0	0	0	3094	0	9937	1001	0	1886	2196	3638	9681	5346	0	0	0	18897	55648	0	0	1041	3741	6831	4759	0	18738	19446	4866	0	0	0	0	4384	39632	13005	3931	15140	6491	0	0	0	2754	0	0	0	2388	0	0	1130	4279	0	1924	12522	972	1370	21022	7336	4667	5827	4910	0	0	0	3643	33820	12882	0	6512	5259	17358	18346	20942	2427	3306	0	31659	1658	16327	0	0	24698	Phytochemical	0.65217394	1.0	0.04347826
10	C24 H27 O14 N1	554.15045	554.1514	0.18982336	554.1505	13042	11524	10902	13097	13021	5341	5949	8079	18158	24660	10637	7601	23990	4573	5691	10358	6677	17440	17598	22082	26649	22836	11233	8897	3874	2778	6603	3220	7424	5834	5297	4332	9958	7372	54242	8764	10244	4009	10798	15784	20002	8965	0	0	0	26453	45848	0	6911	8504	12424	15310	8222	0	20796	13307	5094	6650	6493	12268	14613	13298	24571	13143	4944	16614	6549	12369	9094	5582	11038	6093	6783	5331	5656	6087	0	4890	11785	11602	8766	19364	2945	6036	20382	7243	9345	6440	6614	10024	5404	9198	12154	23043	26660	0	10104	13871	12863	14653	15708	10343	5844	12106	27525	4094	13319	0	4198	20695	Phytochemical	0.5833333	1.125	0.041666668
18	C24 H27 O14 N1	554.15045	554.15125	0.033512063	554.15045	205381	329236	288372	198906	242184	190912	101838	219963	330426	634520	132040	86450	513752	142182	160678	97535	87307	402326	422244	435274	422688	627138	274693	153634	98740	108176	94351	106044	50594	99026	106650	38682	150938	136986	696498	44384	218498	130316	71982	341728	215230	132778	5478	0	0	1177490	1040819	0	176581	122818	268298	293650	218402	0	374675	277030	126012	95574	151256	57102	104798	336032	547418	301686	109226	291242	157448	89731	181648	270742	218228	134191	85050	128305	84005	40558	692	123060	154012	304612	148210	802340	96850	192532	334076	199894	154596	95786	108174	91042	114852	158798	89386	384142	453158	0	280071	249366	193916	178106	199446	145950	88028	179191	868370	150442	263700	746	28380	447862	Phytochemical	0.5833333	1.125	0.041666668
12	C24 H27 O14 N1	554.15045	554.15137	0.11122794	554.1505	28419	27762	26634	22176	24172	11379	16803	22911	26097	45696	25673	14043	49616	8950	15437	20627	17934	38190	37332	37479	56857	68964	21973	21923	10387	8692	9644	17625	16815	12141	13909	9741	16550	14412	65051	12285	16063	17180	22655	36461	43746	16874	0	0	0	81529	141806	0	15559	14443	25696	24635	16424	0	47608	27208	12817	20041	20382	17725	0	37236	50660	31214	12854	24649	15311	15236	20710	14956	18946	14987	13109	15295	15510	11975	0	18294	21583	38463	22056	47453	7653	17724	34266	21301	15775	12708	15091	20651	7480	14246	25031	72763	49695	0	28867	32725	36667	23710	23889	21846	12873	23363	105339	16739	28841	0	9297	47571	Phytochemical	0.5833333	1.125	0.041666668
8	C24 H27 O14 N1	554.15045	554.1515	0.1710792	554.1505	10710	17250	9642	13122	11013	7092	3006	0	18606	24339	14565	9471	32082	3759	8568	9618	9447	15156	14727	16848	33648	30280	11076	5979	2442	2493	7104	0	3933	3966	5163	6261	10743	6378	37353	7038	3714	4242	10770	11520	23244	6798	0	0	0	24465	48264	0	5685	10422	9438	14349	8703	0	17724	18903	7470	7332	4635	10761	0	11370	26763	19620	5664	14829	4713	17139	0	0	9654	5007	7806	4287	9659	5061	0	3873	14403	10701	7386	9318	4350	6462	16020	0	9924	5184	7620	12930	0	0	10047	20856	24354	0	12609	16434	22743	24978	23178	7197	7596	9267	22227	7485	12828	0	4167	33267	Phytochemical	0.5833333	1.125	0.041666668
26	C24 H27 O14 N1	554.15045	554.15125	0.056893572	554.15045	4631	4844	6050	3870	5789	5808	0	0	5592	15838	0	0	13403	1976	0	0	0	13189	7118	17905	17856	10770	7465	0	0	0	0	0	0	0	0	0	0	0	14431	0	0	0	0	9939	7459	0	0	0	0	42153	62960	0	2791	0	5057	2847	3437	0	8461	0	0	0	0	0	0	8680	8395	4893	0	5268	0	0	8846	10914	7209	2786	0	0	0	0	0	0	2440	6328	2720	29589	0	4882	7143	0	0	0	0	0	0	2079	0	10025	12913	0	3361	7041	5007	2534	0	0	0	0	30335	0	0	0	0	9039	Phytochemical	0.5833333	1.125	0.041666668
24	C24 H27 O14 N1	554.15045	554.1512	0.002048844	554.15045	6066	5548	7408	5387	8312	7433	0	3225	9820	13898	4499	2647	21679	2744	3824	5076	2454	14106	8274	13174	15419	17688	4524	3917	2314	3574	0	2488	2940	2752	2654	2710	1877	2104	12467	3022	2606	1802	2520	7474	8516	3426	0	0	0	53642	72198	0	2431	2775	7713	7080	5664	0	11167	9662	3625	1395	2450	1604	2340	12976	12060	11943	3211	5451	3656	0	7751	7688	6844	3392	2538	3151	2029	1894	0	2991	3288	11691	3845	43711	2334	5705	13369	5312	3244	2301	3762	2318	1466	4181	4355	10379	40826	0	8417	9389	8189	3126	6195	2337	2218	3206	49115	2753	7457	0	1757	15124	Phytochemical	0.5833333	1.125	0.041666668
16	C24 H27 O14 N1	554.15045	554.15125	0.028727721	554.15045	384375	337597	320548	262032	314012	209557	132236	111371	318154	790853	393074	105593	456382	119551	146758	125673	135036	552790	417221	666236	664178	861362	160003	190632	157437	220663	67640	235054	145328	154206	250060	143406	215774	141641	1234037	127111	186019	153349	121157	491072	455689	117263	1694	0	0	1108019	1098964	0	240723	124551	247863	416186	239310	0	419057	228082	132427	190770	234093	115906	45294	467308	501139	386875	119638	315657	228724	69688	241903	441232	384934	155635	208077	178376	46403	181202	0	141755	272269	363729	202933	879596	155444	244857	317275	155151	215694	127637	167016	0	25825	218770	0	666092	750848	0	422580	360042	272670	189090	171807	121544	124295	41339	912096	38047	270058	0	96723	480844	Phytochemical	0.5833333	1.125	0.041666668
28	C24 H27 O14 N1	554.15045	554.1512	0.14323866	554.1505	4616	4185	5985	3831	5710	5235	848	0	6465	13628	3284	0	9423	0	2120	0	0	9500	6385	15559	17921	6908	2645	0	0	0	0	1448	0	0	1837	0	1807	0	10814	0	1200	1241	1439	8962	6726	0	0	0	0	34855	45312	0	2030	0	4733	4447	3547	0	6955	3491	1939	1371	2294	1152	0	8127	8625	4833	2063	2789	2216	1124	7947	10111	7723	1231	0	0	2270	1421	0	2007	2587	3119	1557	21185	1472	4547	6323	2120	1893	1061	1939	0	1755	3577	2204	6253	10750	0	3817	4785	4241	3165	1980	0	951	0	29920	1711	5549	0	0	7828	Phytochemical	0.5833333	1.125	0.041666668
20	C28 H27 O11 N1	554.1657	554.1664	-0.06737972	554.16565	12036	8603	12098	8723	9816	5658	2055	0	12236	56032	31723	1281	16109	6256	2503	3146	1856	12000	12244	34444	39117	31332	6325	3790	4976	28314	2337	24745	2099	0	2013	0	4272	2853	69057	1489	5928	0	1435	31864	20407	4227	464	0	0	23915	21363	0	2801	2823	6649	9422	6981	0	8696	10162	2722	0	6273	2863	3656	17348	21270	8546	5023	12099	4949	2159	33640	48936	44952	2388	2066	0	2392	1973	0	2358	7304	26903	2241	15953	3220	34193	12611	10492	4486	4451	4092	3977	5659	10450	3723	19975	35063	0	7502	8673	11240	5936	9362	0	1987	3998	18941	4383	6413	0	2733	21555	Phytochemical	0.39285713	0.96428573	0.035714287
22	C28 H27 O11 N1	554.1657	554.16644	-0.063309565	554.16565	8049	7542	9570	7863	7229	6247	1135	1830	8268	41049	27295	0	12654	8724	1501	3540	2110	11171	12254	25533	31038	20736	3147	2643	3008	26364	1286	19279	1224	1080	0	0	4139	0	52254	1910	4198	3516	2071	21924	16847	2421	0	0	0	21819	26218	0	1401	1454	8165	7620	6011	0	9681	8798	4961	2769	4645	3239	3845	14027	11612	8800	5270	9431	5323	2202	26352	37501	30439	0	0	1152	1114	0	0	0	5597	14036	3600	17541	2142	13262	7357	6225	6440	2936	4400	3509	0	0	6814	22425	34159	0	8460	6557	8499	7116	10539	4556	0	4232	18389	1940	6785	0	2424	11079	Phytochemical	0.39285713	0.96428573	0.035714287
24	C28 H27 O11 N1	554.1657	554.1663	-0.06439647	554.16565	3869	3387	5977	4104	3518	3926	0	2454	5138	28222	13447	1127	6963	2288	1409	0	1575	6800	7221	11353	15997	10755	2754	0	0	10175	1238	8659	1329	0	1250	1076	0	0	33593	0	1681	2368	0	10642	10543	2445	0	0	0	9918	11600	0	1163	0	5450	5878	3351	0	4639	5215	2550	2108	1608	1174	2137	6913	6402	3689	3264	5249	2053	0	13481	17080	24020	1204	1151	0	0	0	0	0	2853	5270	1810	9003	0	6064	11415	0	1502	0	1622	2245	3716	2187	3903	12600	23685	0	4257	2991	5718	5857	3241	0	890	0	9318	1687	3202	0	1315	4717	Phytochemical	0.39285713	0.96428573	0.035714287
10	C25 H31 O13 N1	554.1868	554.18774	0.13692787	554.1869	16164	16700	12269	14925	7886	7113	9542	23556	11670	30904	14304	10156	24096	6181	9782	18390	13446	13755	15848	31037	28169	27037	11168	22029	6604	11001	11692	7142	12564	13277	15662	11276	16509	11839	41371	14548	13037	9487	18832	23154	24215	7509	0	0	0	32736	38240	0	16128	13849	16054	16512	7819	0	17785	11812	4383	13769	12829	13141	17591	16486	14841	11067	4220	14066	8625	15876	13290	15536	9739	14414	11410	17292	7006	13307	0	9734	12028	12945	10712	16222	13337	13429	12298	6008	12106	8800	8852	17984	6174	10359	19402	14993	18524	0	18247	19643	9574	9300	8982	14509	9215	22189	22421	13444	9622	0	8803	18664	Phytochemical	0.52	1.24	0.04
16	C25 H31 O13 N1	554.1868	554.1876	0.024329348	554.1868	115566	94878	100539	109230	78350	67925	57117	108422	86033	205538	86756	52538	142495	46239	90023	88576	41013	129038	135313	251623	196340	158464	102250	110948	74542	95223	42043	61613	95281	96928	92640	105690	95322	79637	246002	93545	98652	66306	47566	166146	92910	61536	2995	464	0	297640	257941	0	84475	99073	92093	105667	66177	339	128465	71336	45336	72122	106899	49526	119803	112039	105694	81067	40940	82339	62082	40627	96095	121895	103901	91550	90937	107754	64326	77596	0	64169	75480	95252	60555	173569	70237	104301	93562	69334	56929	47024	56634	45043	68552	99094	117365	97495	169516	538	101647	117507	74944	41970	58469	104965	50978	106281	239869	97365	74697	358	64060	109494	Phytochemical	0.52	1.24	0.04
24	C25 H31 O13 N1	554.1868	554.18756	0.05484595	554.1868	55138	24776	20816	34484	53436	31592	8284	40212	22532	91538	19150	10486	66378	11018	35494	17504	8040	66792	41252	92998	70206	40666	25486	18870	12198	36128	6990	11950	30358	12948	24954	19550	24608	21504	73914	8594	29690	20636	10860	74196	29567	13030	0	0	0	126630	133776	0	22180	14194	30720	34350	25552	0	51038	26892	15194	33580	15672	8000	28434	37414	40066	27518	10344	26008	26512	9888	27034	85656	34088	48756	14498	23466	13180	8410	0	10886	20688	46276	17318	86110	21760	50596	30294	20678	34874	9320	12388	22520	40666	59430	21812	27262	46916	0	35222	48764	29010	16642	15662	11530	8732	36746	114040	29198	30664	0	24608	56602	Phytochemical	0.52	1.24	0.04
26	C25 H31 O13 N1	554.1868	554.1875	-3.56472E-4	554.1868	6015	4972	5373	5851	6922	9221	0	0	8778	21101	3266	0	16878	0	0	0	0	10654	9592	19852	25322	9320	0	6249	0	6421	0	0	0	0	2626	0	3782	4185	17489	0	6159	4164	2785	13452	6950	0	0	0	0	40415	37927	0	2990	0	6330	5681	4632	0	7357	0	0	4039	3612	0	0	9872	10002	6544	0	6640	2418	0	6916	18943	15381	4472	3948	0	0	0	0	0	3931	0	4902	21624	2781	6826	10721	0	2914	0	0	0	3441	3467	0	4211	11661	0	5531	8290	6602	3263	0	0	0	0	21452	0	6149	0	2605	14640	Phytochemical	0.52	1.24	0.04
28	C25 H31 O13 N1	554.1868	554.18756	0.08500296	554.1869	4170	4122	5325	3863	3085	5628	1009	0	5191	15834	3531	1625	7767	1912	0	0	0	5777	6044	16464	16986	4489	3161	3899	0	6884	0	2841	3038	2315	2264	2052	2637	3114	13203	2116	2803	1237	1296	10824	5298	2182	0	0	0	21169	18059	0	3568	0	4522	3630	4035	0	4112	3983	1250	1709	2705	0	2204	7840	4911	3223	1528	4953	0	1003	5958	16136	8559	1645	1477	2365	0	0	0	1838	2568	3240	1828	14000	1453	7633	4764	2260	2033	1603	1648	0	2716	4637	2785	2522	9330	0	4835	4114	3357	0	2988	0	1817	3445	15477	1680	3650	0	1183	4655	Phytochemical	0.52	1.24	0.04
14	C25 H31 O13 N1	554.1868	554.1877	0.001503967	554.1868	81012	72156	78457	59908	47417	43254	52161	81320	54287	145746	73851	41545	70737	29753	65826	66933	49736	75379	77864	163599	139953	125346	65889	75749	47827	62392	37489	57443	65637	66468	64262	73953	75112	49273	167970	68677	66397	48221	41063	101963	75946	41231	0	0	0	174205	194784	0	60231	72942	62875	66443	35190	0	86825	43067	28679	66534	105807	39220	88777	82857	64810	59413	31708	52976	40931	34452	66138	73058	58331	64315	57347	78382	49955	61939	0	48032	48446	71068	48880	109534	46906	66181	62038	41535	46226	33666	41056	43877	53175	68948	83928	86470	105899	0	74219	84795	44650	30625	48925	78169	44572	98296	173233	58653	44554	0	42269	60066	Phytochemical	0.52	1.24	0.04
10	C24 H31 O12 N3	554.19806	554.1991	0.20734821	554.1982	11663	15960	10321	10561	3870	3679	9013	17322	5979	8909	3365	9699	5493	1714	10639	13141	8096	6609	10713	9268	8364	17391	11397	16486	9544	0	5259	0	13511	9795	10968	15398	16965	9963	11320	8902	19431	11032	15169	14603	8530	5837	0	0	0	14577	8936	0	12382	12900	9280	12561	6240	0	9674	2668	5354	15628	13674	6234	12892	6166	10892	5460	3795	10421	6834	9409	0	0	2202	12411	9680	9051	5039	8747	0	10820	8713	0	10608	7622	7508	5223	4206	5509	9760	4296	6913	17968	8227	14454	29333	4104	9651	0	9988	10503	3381	4362	3810	14528	6034	16911	0	13298	4914	0	9331	9281	Phytochemical	0.5	1.2916666	0.125
24	C29 H31 O10 N1	554.2021	554.2027	-0.06662619	554.202	9533	7766	7072	7264	7539	4069	1428	0	9767	24540	19808	2153	7009	5504	3203	4463	1543	7009	9595	18517	19641	11482	3774	1868	2841	29511	1844	18355	0	0	2723	1923	1764	0	34058	0	2493	1246	1988	18132	17486	6418	0	0	0	16276	16073	0	2709	3020	7878	6570	7065	0	12165	6957	2830	2443	1990	1898	2987	14382	10059	4112	2402	5728	4455	0	28595	30568	40520	3520	3548	0	0	1904	0	0	3923	7083	2994	10793	2305	15123	9256	5240	8801	3717	2465	4260	0	3989	6888	13626	14641	0	5653	9143	8200	6841	9346	3058	0	5801	9037	3541	6326	0	3356	11989	Phytochemical	0.3448276	1.0689656	0.03448276
26	C29 H31 O10 N1	554.2021	554.2027	-0.084370255	554.202	4011	3907	0	2426	3607	0	0	0	3269	11153	5611	0	0	0	0	0	0	0	0	8054	10096	4349	0	0	0	16749	0	6928	0	0	0	0	0	0	12021	0	0	0	0	8676	6669	0	0	0	0	0	0	0	0	0	0	2832	0	0	0	0	0	0	0	0	0	3848	4244	3200	0	0	0	0	16124	16742	20333	0	0	0	0	0	0	0	2684	5809	0	6535	0	4768	0	0	2994	0	0	0	0	0	0	3487	0	0	0	0	3486	2643	0	0	0	0	0	0	0	0	0	3783	Phytochemical	0.3448276	1.0689656	0.03448276
12	C26 H35 O12 N1	554.2232	554.2241	0.06629059	554.22327	19065	19684	25832	18388	11667	11189	20430	39779	13413	30039	12820	15579	17206	8214	20028	21078	27857	12956	23962	38307	37833	25563	23663	31771	19016	19317	11204	9758	26049	21076	23482	18326	31359	20534	46166	27052	19830	25564	26911	32454	21241	11978	0	0	0	30506	26937	0	22077	26469	22217	26428	9242	0	20190	10979	7910	21089	28494	16338	17201	19439	14270	13573	6765	16831	12568	22775	16417	25368	23836	23486	18357	26777	18823	20089	0	16422	19877	20214	18910	17930	17998	16963	13130	9311	16150	13072	12545	29842	15645	26206	34057	17931	19503	0	21053	31257	11830	9872	13533	28281	14974	27780	0	20561	11412	0	16627	16580	Lipid	0.46153846	1.3461539	0.038461536
8	C26 H35 O12 N1	554.2232	554.22424	0.1616359	554.22327	9300	10730	13378	12000	8176	5769	4650	14870	6944	20062	6862	5754	10336	0	6764	8938	7604	5656	10586	18106	15554	21822	5424	12444	5004	3732	5776	3888	10256	10253	12148	15984	10746	11348	32240	11906	12636	9448	10026	14882	14258	4624	0	0	0	15964	12146	0	13878	13100	12094	10096	3088	0	11368	2698	3300	8296	7956	7936	12544	7442	10560	8000	0	10856	5650	8054	0	9776	4052	10221	7400	11900	7204	9286	0	6964	6382	5986	5632	5072	6144	10386	5398	0	7752	5072	8250	14212	0	0	13998	6646	16168	0	14536	12296	2570	5984	5332	10948	6716	12290	0	10214	4620	0	7520	9642	Lipid	0.46153846	1.3461539	0.038461536
28	C26 H35 O12 N1	554.2232	554.22394	0.06303757	554.22327	4206	4693	4523	5260	3233	3079	1544	4165	3619	18553	3201	1349	9001	1693	3398	3400	0	5736	5255	19792	14703	4183	2491	5375	2844	12098	1305	3662	3104	2370	2663	3520	4888	3126	15109	3879	4894	2151	1527	6351	4039	0	0	0	0	10000	9771	0	3524	3446	5826	6296	2584	0	4465	4817	1123	3134	2631	1742	3109	5645	5985	2919	1639	4752	2196	1443	9915	22300	14248	4948	2214	4270	0	2293	0	1530	3162	2496	2837	6618	3211	4488	4913	2575	2354	0	1943	2697	4313	3730	3314	1651	4318	0	5937	6942	3012	2689	2218	0	1553	3968	7188	3148	4550	0	0	6733	Lipid	0.46153846	1.3461539	0.038461536
26	C26 H35 O12 N1	554.2232	554.2239	-0.05067038	554.22314	12180	10587	11030	11032	10572	10060	1479	10159	14101	29075	9492	4741	23181	5322	0	14654	0	21794	17309	37821	32232	11719	7592	9781	0	17039	2689	5266	0	0	8097	6039	6146	5115	32020	7221	9162	6445	5204	19601	10954	0	0	0	0	28100	24338	0	6870	9237	9715	10376	6441	0	12726	5638	5181	10278	4762	0	9084	8524	18042	12249	4005	9058	5259	2436	16634	37918	26278	10423	6497	0	0	7891	0	5631	9278	5487	6399	17978	4392	8658	12241	6264	7651	2674	5561	3589	3628	7013	11771	4445	11267	0	8711	13840	9758	7605	7382	9604	3762	12020	17086	8421	10153	0	4281	21913	Lipid	0.46153846	1.3461539	0.038461536
10	C26 H35 O12 N1	554.2232	554.2242	0.19573161	554.2233	13566	10958	11225	9579	4673	4636	8511	11799	6042	19032	6491	7767	12823	1847	8868	8870	9863	6610	9343	19257	15915	17433	11131	14766	6495	4920	5612	5574	13341	11039	11705	13428	13168	12620	26215	14900	12608	7771	8057	15116	10660	5712	0	0	0	12959	11903	0	15666	12466	10994	12774	3826	0	14474	5880	3603	13465	9892	8588	12311	10483	8570	5961	3097	6197	6512	8280	0	12167	7666	13418	13306	13608	8767	10280	0	7038	11347	10755	6286	6899	8510	7830	4640	4663	9822	6100	5873	12291	11120	12918	19920	7267	13576	0	8090	13419	5989	5811	4860	11379	6455	14098	0	11043	5716	0	8568	5287	Lipid	0.46153846	1.3461539	0.038461536
26	C30 H35 O9 N1	554.23846	554.2391	-0.047755536	554.2384	6202	0	3661	3983	3607	3385	0	0	2944	10131	12423	0	6930	0	0	0	0	0	0	12007	9660	5415	0	0	0	13904	0	11883	0	0	2836	0	0	0	8784	0	3322	0	3788	10549	10119	0	0	0	0	6950	0	0	0	0	5445	4884	4313	0	0	0	0	3947	0	0	0	5500	3624	3166	0	5061	5385	0	17308	24113	29232	0	0	0	0	0	0	0	3713	0	2885	3891	0	7610	6738	0	4903	0	0	3316	0	2790	0	4519	0	0	3006	0	3137	4836	5211	0	0	0	0	4532	0	0	0	5005	Phytochemical	0.3	1.1666666	0.03333333
6	C24 H35 O10 N5	554.24567	554.2472	0.36504105	554.24585	1381	2946	2055	3283	838	5264	1329	1891	900	1312	0	1243	1462	557	2202	3337	1883	1846	843	0	0	2070	1308	3095	1902	0	1905	11364	0	1630	2417	3670	3082	1906	0	3091	2752	1681	1018	0	665	1319	0	0	0	0	0	0	3191	1391	3061	1832	675	0	1835	466	728	3066	1496	1007	2385	0	1154	1248	0	1208	1055	2855	0	0	0	2461	2504	2350	1406	2456	0	1264	1804	50911	0	0	0	0	0	0	2158	798	1664	3796	36912	15360	5378	6128	1158	0	2292	3634	0	963	827	2868	1064	0	0	1739	652	0	1745	1340	Peptide	0.41666666	1.4583334	0.20833333
28	C27 H39 O11 N1	554.2596	554.2603	-0.025450666	554.2596	3615	4465	5564	5284	5990	3463	2802	4486	3909	17746	4243	0	12154	3336	0	5036	2486	8502	10044	14875	16406	5304	4750	4166	2451	12641	1556	5638	5861	2344	4226	4301	3820	5181	18650	5535	5647	2326	1896	7846	4565	2788	0	0	0	7248	5470	0	3414	4214	4548	5326	3096	0	7610	4357	2262	4929	2688	1145	5372	3256	8904	5617	1382	5214	3139	1903	11310	20593	20414	4414	3185	3506	3719	2170	0	1598	4244	2144	3773	3653	1563	3625	4575	2736	3296	2501	1745	2437	4900	4830	4362	1716	3734	0	5485	4660	2938	2363	4025	3049	1961	4461	2538	3090	3199	0	2603	9813	Lipid	0.4074074	1.4444444	0.037037037
14	C27 H39 O11 N1	554.2596	554.2604	-0.023732454	554.2596	18773	18426	17515	20907	8539	11215	12366	29494	11600	18240	13807	17349	16426	6881	21756	30518	25488	10531	12236	28722	23205	18927	20332	37667	20256	15531	17523	11452	24979	28259	22748	20272	23931	17317	16678	27181	20295	13666	24877	14607	11033	14905	0	0	0	20941	15085	0	23783	29099	17517	22440	8748	0	15053	11128	5886	24249	19315	16374	31411	9345	9740	9238	5288	8374	8606	19234	0	18423	11619	17458	17668	33142	20133	20404	0	21555	17310	0	13529	9679	17595	10455	13469	8037	22181	9894	11454	25506	24415	16374	31726	9376	14890	0	9355	25947	10639	8803	11730	22820	12689	36537	0	17464	13800	0	15759	8210	Lipid	0.4074074	1.4444444	0.037037037
10	C27 H39 O11 N1	554.2596	554.2605	0.18145718	554.2597	9038	7410	8394	15466	3352	3374	7170	16394	4852	11194	15094	4112	2688	0	8958	10210	7698	6700	8720	20722	13938	9636	5772	14060	7652	0	4292	0	13484	12712	11352	13224	20652	9698	14354	10244	13782	7628	9494	11584	9228	3810	0	0	0	9726	4080	0	16832	12262	8050	8540	0	0	3392	1384	2420	14316	19693	3562	0	6602	3784	2958	0	5596	3712	6626	0	8572	3804	7450	10490	14450	7598	10516	0	6902	7600	0	3992	2764	6292	5380	4822	2192	7672	2008	4690	10308	23544	10880	17172	9452	9558	0	7560	9082	3232	2872	4600	19720	6636	14476	254680	9168	2392	0	6396	5468	Lipid	0.4074074	1.4444444	0.037037037
26	C31 H39 O8 N1	554.27484	554.2755	-0.12520508	554.2748	8565	3578	5672	3661	3085	0	0	6584	3004	8095	11104	3518	6091	2769	0	6045	0	0	7174	13225	14001	4857	6143	11456	7205	27249	0	13922	7435	6375	4686	5409	6808	6560	7105	7260	6917	3923	4807	13568	11579	0	0	0	0	9053	5956	0	7297	9199	5964	4242	4572	0	5402	0	0	5514	4936	0	7607	8084	3679	3726	0	4978	3921	5410	27879	23988	22370	6455	6265	0	0	5777	0	0	6633	0	6887	3887	5499	12293	5320	0	10607	4157	3013	7208	8129	8370	12674	6351	6361	0	6548	0	3418	7547	5286	7031	0	0	7588	4091	5584	0	6569	2835	Phytochemical	0.2580645	1.2580645	0.032258064
18	C28 H43 O10 N1	554.29596	554.29675	-0.016888281	554.29596	24377	19946	16554	18856	14082	15019	21575	35085	16243	16545	11585	17876	16989	7334	28043	38175	27364	21672	34748	30859	25950	16632	29651	30971	24890	20712	18381	8505	34179	29032	24247	31773	27989	24855	15817	36344	28311	22387	28992	9911	16782	18200	663	0	0	18431	20809	0	25882	28407	17950	21406	16558	0	30083	23149	12235	27236	18401	15051	29781	8398	15783	20271	11761	13174	15184	27317	10987	20988	18375	20956	22257	31027	34628	31303	0	21616	23169	11016	26973	13875	17843	10772	24936	14688	23895	15809	15182	19592	27124	27285	34346	10054	14771	0	25416	23276	13627	20127	25393	40467	20370	33068	15403	26294	21647	0	19429	13716	Lipid	0.35714287	1.5357143	0.035714287
10	C26 H43 O8 N5	554.3184	554.3192	0.12072674	554.3185	1156	0	1629	0	0	2227	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6986	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1228	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	41983	0	0	0	0	0	0	0	0	0	0	167992	45738	0	2212	0	0	1758	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.6538461	0.1923077
14	C29 H47 O9 N1	554.33234	554.33325	0.22296079	554.33246	0	0	0	0	0	0	0	0	0	0	0	1449	0	0	0	17565	0	0	0	0	0	0	0	0	0	0	0	0	3300	3832	1945	24318	1441	1496	0	3353	0	0	0	0	0	0	0	0	0	0	0	0	3460	3434	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1967	5409	2311	1382	0	1451	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.31034482	1.6206896	0.03448276
16	C29 H47 O9 N1	554.33234	554.33307	0.10678406	554.3324	0	2408	1908	1656	4580	0	1790	2802	0	0	0	1452	0	0	0	2812	2343	19541	0	0	0	0	0	0	0	0	2100	0	2293	6081	4448	27931	0	2563	0	5145	1922	0	0	0	0	0	0	0	0	0	0	0	3624	4198	1710	2024	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4343	0	0	0	0	1881	5453	6535	4623	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1749	1320	0	0	0	0	0	0	0	Lipid	0.31034482	1.6206896	0.03448276
22	C29 H47 O9 N1	554.33234	554.33307	-0.048086792	554.33234	15082	17805	16573	15760	16248	20644	26840	26256	20699	7641	7542	14591	18564	12033	27481	27253	27041	18795	32836	13701	16678	7000	20369	18307	21277	10768	21008	7223	27613	24574	20450	27937	32454	15844	11674	25590	23826	22240	25223	9169	7772	16356	0	0	0	8515	8636	0	23331	20176	15767	18836	19176	0	29621	23006	15877	22227	16713	10020	25138	6077	15573	17647	11358	18882	17149	22470	4864	9584	7271	16656	17299	24478	26184	21343	0	18695	23948	6270	27481	5034	24656	12768	28410	21157	25113	10103	18089	22430	28054	26289	22674	4204	7730	0	11106	17243	16137	27035	25054	38704	11129	24327	7952	18236	19327	0	17875	17758	Lipid	0.31034482	1.6206896	0.03448276
16	C30 H51 O8 N1	554.3688	554.3691	-0.059474707	554.3687	0	0	0	0	3962	0	0	0	0	0	0	0	0	0	0	0	0	12707	0	0	0	0	0	0	0	0	0	0	0	0	0	27663	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2624	1394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.26666668	1.7	0.03333333
26	C30 H51 O8 N1	554.3688	554.36926	-0.016418722	554.3687	5221	2851	4579	1977	9978	2792	30397	0	3570	0	0	0	4850	5276	0	5615	5473	0	8302	0	0	0	0	0	7596	0	26420	5191	7395	9415	7035	8608	11525	3875	2010	11247	7101	3990	6380	0	0	0	0	0	0	0	0	0	6374	0	3076	4031	4534	0	13768	0	4116	7408	4379	0	6179	0	3473	5786	5034	7134	5397	3787	0	1862	0	3718	6420	8802	0	6716	0	0	4143	0	0	0	8493	5134	8803	0	7117	2366	5277	2150	6630	7260	4064	2005	0	0	6108	0	3042	8492	10687	12661	2755	0	0	5286	10146	0	4002	2398	Lipid	0.26666668	1.7	0.03333333
14	C30 H51 O8 N1	554.3688	554.3696	0.21448687	554.36884	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27363	0	1930	0	0	0	0	0	0	0	0	0	0	1348	1396	0	61038	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3507	1446	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1089	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.26666668	1.7	0.03333333
16	C28 H51 O6 N5	554.39124	554.3916	-0.104583055	554.3912	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3348	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47157	0	0	0	0	0	0	0	0	0	0	103967	9602	0	2905	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.21428572	1.8214285	0.17857143
14	C23 H22 O16	555.0981	555.099	0.12867293	555.09814	8173	3262	2198	6901	14883	5243	0	0	23005	0	3308	0	28779	3105	1825	0	0	12445	14163	2790	1782	14349	3234	0	0	0	0	0	0	0	0	0	0	0	4316	0	1416	1153	2723	2423	4284	3087	0	0	0	7263	19598	0	0	1298	2824	6254	7606	0	15286	16190	4513	0	0	0	0	2285	34262	15321	5019	16075	3374	1289	0	0	1485	0	0	0	1573	1749	0	2313	5414	0	3587	13291	0	903	19754	3533	2412	4207	5093	0	0	0	0	20358	5434	0	4289	2624	15480	24829	24864	0	0	0	0	1727	15282	0	0	31132	Phytochemical	0.6956522	0.95652175	0.0
12	C23 H22 O16	555.0981	555.0992	0.4052581	555.09827	4298	2655	2033	2045	8397	2425	0	0	11098	1665	0	0	20065	1849	1145	0	0	8570	8134	0	1918	5818	2681	4048	0	968	0	0	0	0	0	0	2296	0	4841	0	0	0	0	1536	0	2636	0	0	0	3466	14794	0	0	0	1808	4434	5483	0	8245	10546	3320	0	0	0	0	0	20958	13344	3820	11922	2997	0	0	0	0	0	0	0	0	0	0	0	3992	0	3353	5525	0	0	14414	2881	0	2454	2083	0	0	0	0	11718	4058	0	2383	4265	10050	16920	15811	0	0	0	0	1744	8499	0	0	19625	Phytochemical	0.6956522	0.95652175	0.0
16	C23 H22 O16	555.0981	555.099	0.10212617	555.09814	4206	6454	5932	7476	15347	5987	1477	1766	22422	3331	4960	1754	32354	3306	2085	0	0	11257	15046	0	3299	10721	5806	1749	0	0	0	0	0	0	0	0	1727	0	7699	0	0	2437	1592	2114	3911	2908	0	0	0	7876	19807	0	0	0	5402	5055	5496	0	16326	18212	5433	2002	1486	2769	0	5087	43613	14753	4915	21092	3444	0	0	0	0	1323	0	0	0	0	0	1717	4588	8055	3510	14254	0	0	16823	5816	3554	2946	4741	0	0	0	0	18606	5300	0	6043	4632	12532	20017	18522	3406	1507	0	15486	0	12669	0	1948	29851	Phytochemical	0.6956522	0.95652175	0.0
14	C23 H26 O12 N2 S1	555.1279	555.1285	-0.03346842	555.1279	2746	3392	0	1708	5454	1884	0	0	5324	6039	3748	0	14109	0	0	0	0	2928	5339	5336	7395	8475	1498	0	0	0	0	0	0	0	0	0	3688	0	23264	0	1826	0	0	7286	8431	0	0	0	0	6378	9307	0	0	0	1883	3049	3806	0	4500	3656	3047	0	0	0	0	3216	14810	5595	1027	4352	1091	1510	0	3631	5684	0	0	0	0	1013	0	0	2719	0	1244	8114	0	1723	6542	0	2298	0	1414	0	0	2639	1931	9322	10893	0	2799	0	3589	5360	7422	0	0	0	0	1752	3383	0	1557	4383	Organosulfur	0.5217391	1.1304348	0.08695652
14	C24 H26 O15	555.13446	555.13544	0.22726208	555.1346	28059	23061	22355	28744	31118	21824	8029	13066	42107	32491	19709	9328	63249	10761	15869	13040	9574	40754	36454	25194	28277	71447	19093	10977	6208	3354	7994	0	5294	9632	9729	7236	14701	10552	57916	8244	16366	18269	11545	20224	26467	11619	0	0	0	62986	104830	0	8552	9845	29818	25807	19354	0	43766	28517	14372	10582	9092	5656	0	25567	63018	34990	12301	42721	18151	10677	0	3523	13764	10718	10691	7273	6874	10857	0	8894	24103	32625	20823	59267	7081	11349	31429	13795	15192	12659	12254	7591	5798	11213	17570	63935	52344	0	30075	22106	25967	33682	23510	14245	9983	10727	85318	13048	23134	0	4782	53851	Phytochemical	0.625	1.0833334	0.0
12	C24 H26 O15	555.13446	555.13544	0.27291346	555.1346	15880	19874	17200	8931	13606	7526	3923	8465	18212	19957	14256	6487	27186	5118	7409	7096	3685	21883	20558	14507	17538	33828	11540	5847	3559	1499	4405	0	4774	5692	4289	6915	8804	5216	30203	4750	11420	8777	7744	12016	17489	6386	0	0	0	27896	58716	0	4983	5025	12295	16465	11474	0	25365	18736	11068	8818	0	13459	0	10061	37930	19462	7012	25267	9670	7997	0	5446	6173	4994	4694	6770	4915	5924	0	6930	14626	18482	9946	33140	2977	6125	19694	11185	9813	8325	9611	5117	3318	11703	12222	37043	30725	0	15501	12403	26905	22382	21640	7131	5222	6313	49231	7753	19096	0	5697	33421	Phytochemical	0.625	1.0833334	0.0
10	C19 H31 O15 S1 Na1	555.13544	555.1356	-0.07116897	555.1354	7456	14032	10528	12558	20039	7940	2858	3054	21873	15348	10574	6526	25818	4662	5522	4934	6066	18385	17761	7488	13332	14968	9350	6420	2062	0	8480	0	4614	3358	4068	4890	4902	3964	26432	3120	6536	5104	10008	5732	0	6946	0	0	0	17852	33034	0	3394	4534	7922	11456	9770	0	21430	18606	10224	3472	4380	6094	0	7348	30349	21415	7038	19932	9102	6508	0	4110	3112	3886	4214	2736	4975	4172	0	4786	14660	0	11488	18626	3140	0	22048	12780	14086	5448	7834	9136	0	0	6632	21969	28658	0	11653	12836	16084	23888	22560	4662	6002	0	0	5034	17780	0	1704	23460	Organosulfur	0.7894737	1.6315789	0.0
14	C23 H26 O14 N2	555.1457	555.14655	0.08222354	555.14575	8663	10214	9344	10448	8949	0	2950	4736	12827	9753	2550	4600	13531	0	6164	5632	5587	11116	9093	8243	12431	26455	9214	5316	2312	1794	2129	0	6453	4591	7171	8664	7714	6398	13311	7239	9010	7552	3710	12774	13424	7334	0	0	0	24928	45473	0	4866	6628	8669	8036	7778	0	13139	7021	3640	5090	7402	7439	0	9265	21176	16305	4247	11527	3503	5374	0	2653	0	5776	4227	9142	5289	5396	0	4835	9259	0	5765	21925	2341	2210	10005	0	4989	7619	7572	0	0	5491	9351	14033	11901	0	7766	10395	4205	8047	8328	10978	4952	8002	42861	6762	4766	0	6901	16377	Phytochemical	0.6086956	1.1304348	0.08695652
10	C23 H26 O14 N2	555.1457	555.14667	0.20683	555.1458	5554	5828	5843	5053	5061	2042	3505	3735	6071	4742	3875	3022	11211	0	3020	8914	6435	7644	6704	4495	9275	16705	5213	3092	1868	0	3464	0	3025	3276	2764	3516	5285	3487	9051	3783	3433	3010	7737	7185	12656	4072	0	0	0	10343	27144	0	6069	3875	5723	7431	5273	0	9738	4535	3988	3748	0	6642	0	5153	12993	10824	2791	9734	4105	6571	0	1656	0	4864	4247	1513	4525	3204	0	3312	5870	4912	4290	12184	2072	2323	8241	2501	5047	4707	4143	7062	0	0	6091	12971	11678	0	7590	7365	2721	5658	8656	5225	5318	4427	17397	5194	4068	0	1750	11368	Phytochemical	0.6086956	1.1304348	0.08695652
20	C23 H26 O14 N2	555.1457	555.1463	-0.3359575	555.1455	2549	0	2794	2408	1589	1477	0	0	1688	4300	0	9849	3787	0	1400	0	1294	0	2803	2730	2446	3583	2833	2805	0	0	0	0	0	0	0	2040	2623	1851	4993	0	0	0	0	3127	2632	0	0	0	0	10345	8430	0	1971	0	2205	0	1329	0	3536	0	0	0	1491	0	1418	2197	3968	6189	0	1619	0	0	0	0	0	2256	2568	1464	0	1555	0	17237	0	2252	0	4717	1190	0	2404	0	0	3160	2003	0	0	0	3942	4681	6781	0	2018	1642	0	2365	0	2321	21070	1456	7104	2460	3551	0	0	3597	Phytochemical	0.6086956	1.1304348	0.08695652
12	C23 H26 O14 N2	555.1457	555.1466	0.10737953	555.14575	9400	9031	9003	9226	7212	3886	2932	4651	9106	5828	4150	7603	14940	1637	7063	5942	9098	13493	9228	10604	11157	22809	7802	5546	1564	0	3537	0	5466	4916	8521	4600	9875	5953	13340	5084	6393	6591	8051	10425	21427	7895	0	0	0	27020	46140	0	6581	5241	8862	7786	6910	0	16774	6951	5447	10713	5816	10460	0	12565	23126	14257	2588	12547	6585	9894	0	0	0	2732	3805	3861	5220	2300	0	7070	7981	0	5422	19004	3374	2444	7463	4818	8369	5001	7029	10940	0	4717	12607	16943	10167	0	8838	8376	6580	8877	7817	10479	4199	8127	34562	6748	6433	0	2888	19172	Phytochemical	0.6086956	1.1304348	0.08695652
8	C23 H26 O14 N2	555.1457	555.14667	0.12414807	555.14575	0	4194	3584	4478	6622	2096	0	2950	8428	0	0	3764	12116	0	2194	6460	7864	12046	7150	4974	4916	18442	3282	6124	0	0	1206	0	0	1736	1596	2570	4010	2158	4716	2114	5393	3374	7338	3188	10972	2518	0	0	0	6748	21702	0	2222	3130	5096	2188	2880	0	8820	6500	3370	2956	4514	6576	0	3880	18128	10302	3820	11276	4946	8646	0	0	0	2066	5712	2554	4672	2958	0	2890	4394	0	1626	4320	1380	0	4906	0	4136	4346	5514	10088	0	0	4850	9360	6990	0	4800	7270	4496	7568	7250	6124	2424	4130	15482	3808	5294	0	2024	14370	Phytochemical	0.6086956	1.1304348	0.08695652
18	C28 H26 O12	555.1497	555.15045	-0.043726448	555.14966	29133	29001	22854	28280	29713	15687	7203	4166	35969	124916	59302	2805	41226	20969	9824	10671	3390	30924	34936	65966	56923	51736	11910	9634	8442	56137	5252	35394	0	4371	5595	0	4789	0	151083	0	6678	5448	2870	33829	30743	6701	609	0	0	38225	35401	0	4240	3870	29983	27169	15113	0	42536	23732	15246	13655	7558	5643	7720	26448	65526	28316	11751	32161	14667	3100	41922	59717	75262	5397	1757	2792	2924	0	0	4664	26342	29634	16122	35156	6030	29922	39049	18522	15287	8066	11613	6687	14138	14511	7315	46375	67056	0	23899	16812	39632	34639	24142	6437	5450	4847	25999	6104	27828	0	8725	46169	Phytochemical	0.42857143	0.9285714	0.0
26	C28 H26 O12	555.1497	555.15045	0.007414213	555.1497	6851	7869	8650	7464	15832	8963	0	0	20141	30550	8410	0	25350	5231	0	0	0	20662	13059	15493	17191	20500	0	0	0	12198	0	5700	0	0	0	0	0	0	36882	0	0	0	0	8224	6592	0	0	0	0	10715	11879	0	2245	0	7870	8564	8809	0	18617	17595	4582	0	0	0	0	7265	27977	12670	3810	15393	3302	0	14470	24975	21911	0	0	0	0	0	0	0	9840	10550	7949	9736	0	6974	18020	0	7145	3082	0	2064	3926	3443	0	13164	23570	0	5721	7652	11223	19221	12064	0	0	0	9236	2080	9730	0	0	18451	Phytochemical	0.42857143	0.9285714	0.0
14	C28 H26 O12	555.1497	555.1505	-0.11453295	555.14966	4326	7081	0	6580	7849	3962	0	0	6128	26320	15158	2258	6487	6084	2290	3427	2967	6019	8663	8501	8502	16159	4617	0	2274	18850	1717	0	2310	1684	1104	0	0	2007	30948	1935	0	4353	1563	6756	10549	1561	0	0	0	7943	9482	0	2952	0	6448	5518	4940	0	6394	6081	2674	0	0	0	0	4280	10085	8814	2925	6938	1711	0	0	11319	21829	4129	2188	2065	0	2551	0	0	5694	0	7769	8475	2142	5861	7792	4898	5163	0	2640	0	2867	2551	0	9451	11766	0	7866	0	6111	8948	6952	0	1672	0	0	0	6299	0	4858	0	Phytochemical	0.42857143	0.9285714	0.0
22	C28 H26 O12	555.1497	555.15045	0.02454825	555.1497	22687	22405	17927	21501	34276	16368	5280	3859	40349	106347	46208	4848	44167	22554	11190	3267	3131	35949	34058	49570	49659	43257	8219	6570	5510	39596	4870	42985	4328	1882	4387	6221	5521	4232	117558	3498	7762	9553	2297	28805	23768	7477	0	0	0	45312	37366	0	3602	1873	21860	23044	21916	0	31668	31583	14059	5529	5146	2651	4721	26145	62918	32603	10268	38961	16370	2675	42390	75457	61303	2950	0	1401	1739	1734	0	2694	17413	19917	20130	32345	5705	25581	46305	24708	17786	6207	7196	3785	9892	15960	6019	45629	53559	0	21669	22673	34922	36833	34422	5945	3307	4823	25915	7093	27778	0	4750	49402	Phytochemical	0.42857143	0.9285714	0.0
24	C28 H26 O12	555.1497	555.1504	0.026622934	555.1497	10707	11961	13724	18111	18017	11210	3717	2293	23694	55535	23715	2191	40193	12163	0	3645	1531	21069	21396	33247	24316	28463	5936	0	3437	30111	0	14395	0	0	1976	0	1877	2623	68603	0	5603	2944	1530	18911	12497	4030	0	0	0	22588	19721	0	2758	1500	16247	11073	12560	0	20846	20839	7703	2461	3617	2270	3577	14540	38138	20598	6614	27323	9030	2220	22941	44229	40143	1402	0	0	0	0	0	1824	12284	14393	11510	16942	2697	10923	32175	21386	7901	4185	6355	2856	4628	7824	0	29142	39223	0	10575	12572	21785	22291	25247	4523	2294	3191	12989	2806	20944	0	4083	33046	Phytochemical	0.42857143	0.9285714	0.0
20	C28 H26 O12	555.1497	555.1505	0.043620765	555.1497	36340	46265	49993	35145	49849	19521	8409	10666	45688	121814	76014	9069	85200	28897	15988	14778	3306	59501	71944	80865	95370	100131	17220	11473	11768	75958	7103	51966	8860	5678	16471	11840	12190	7294	212823	9332	22013	21792	4237	71434	45003	11078	667	0	0	114747	95351	0	7834	3551	40925	40983	29227	0	63383	38599	25241	14456	12674	8779	10316	55822	91222	35874	21711	53988	20230	3897	58317	76620	81497	9128	7232	6339	5754	6131	0	7123	22308	48286	24200	53463	10686	42608	66129	25879	23276	15370	17700	11266	37977	32053	27255	74423	102004	0	45223	35123	53234	45784	45246	7932	9594	8930	82347	5464	37813	0	12969	89910	Phytochemical	0.42857143	0.9285714	0.0
12	C25 H30 O14	555.17084	555.1719	0.32782486	555.171	16077	21209	17180	14296	10658	9696	11610	21301	14285	38729	26347	9065	13353	4278	14149	15446	13121	12769	16978	23399	28671	35113	17657	24724	8521	5279	11585	10134	12909	9029	16061	14437	17313	13103	47816	16170	13062	14595	14308	23382	38033	7952	0	0	0	39657	56779	0	13308	19145	19337	18209	9054	0	17370	9650	6962	16938	17273	15524	25942	14731	18369	9931	6262	13711	8010	16017	0	11095	11479	16598	18742	15108	11635	13367	0	9917	16549	0	15160	32708	10937	13771	12881	7866	15967	7566	6931	17228	13549	14437	16548	18675	27799	0	15283	22631	11596	12789	12412	16728	12677	21548	41208	11724	6948	0	10642	15488	Phytochemical	0.56	1.2	0.0
16	C25 H30 O14	555.17084	555.1717	0.09217417	555.1709	65110	61753	60631	57012	42391	41647	36450	51151	61770	120483	44368	31545	71174	20662	46599	33980	24073	68177	67113	104915	92661	122906	49366	50069	32562	21202	21369	29592	46484	36747	53128	52511	54667	40184	149658	49597	58445	42831	24396	79078	43638	24065	859	0	0	345748	128126	0	52438	41858	60611	66485	37388	0	81992	41025	23753	41336	60320	21258	40214	52734	96655	48113	20426	59454	34721	23053	27250	49348	35370	49714	52976	52187	27984	44876	0	40833	41543	60029	39265	131455	35335	42800	39169	32785	46620	23068	33863	31934	38230	64035	54857	84319	102865	0	63309	58445	36761	36030	31151	51563	31893	47540	129255	51554	39493	0	35155	70766	Phytochemical	0.56	1.2	0.0
18	C25 H30 O14	555.17084	555.1717	0.110076465	555.1709	51516	57431	51584	48703	40731	42397	24090	47798	59886	101609	34329	25259	63873	17833	43127	27065	13910	62289	71415	85698	85894	109233	42666	46581	34895	19012	20362	26789	43350	30200	52262	40469	49639	38291	125917	36349	49097	34535	18947	89365	35315	22998	1230	0	0	178391	102425	0	39011	32381	53848	58379	33072	0	94364	33593	23090	38426	52376	16270	36401	58106	87216	56728	17839	44324	30530	15661	20601	53445	27784	44167	36012	41057	21063	37100	0	33566	35725	42653	32157	124744	30000	34783	37801	28656	30935	16060	31245	19334	37692	63818	44277	59260	77096	0	51714	54401	44280	25103	22856	40584	26510	47759	114617	32488	33100	0	29133	76050	Phytochemical	0.56	1.2	0.0
14	C25 H30 O14	555.17084	555.17175	0.15579833	555.1709	44467	48224	44990	44426	19535	22849	24673	35039	40378	79088	40375	23500	39286	14437	34616	37153	22595	35373	48429	61872	60955	96050	29748	33112	20346	15710	22284	29711	26459	31898	32640	36253	35958	28294	107021	29763	37458	31360	17640	51137	52454	20397	0	0	0	210512	114097	0	36350	30194	42250	46066	21920	0	41045	21602	18767	35510	53112	20899	42663	53205	57229	40790	14711	29341	22168	24378	19241	33292	29772	29027	32829	36173	22092	27899	0	27678	31952	52517	31673	159876	20298	36148	29498	21263	26637	21552	22148	28810	25645	31271	37761	66385	74152	0	43844	44179	27369	24892	22345	36470	22728	31895	100905	28388	23234	0	23467	36315	Phytochemical	0.56	1.2	0.0
14	C24 H30 O13 N2	555.18207	555.183	0.16360725	555.1821	21824	20242	20193	26643	11252	12977	14922	32869	15548	27710	7047	17534	16085	5146	25454	21820	21728	18632	28342	30061	18510	42093	22634	32553	22103	3057	11368	0	24902	20427	24870	32292	26794	20306	36369	31130	27342	17236	8915	26463	17124	10612	0	0	0	38548	27979	0	20074	25197	24461	17065	12943	0	30765	10166	9096	23942	49597	10414	30426	23802	21821	21662	6801	18922	14944	14019	0	8619	0	24438	20912	26514	11090	16348	0	21474	16804	0	15748	22208	16464	14129	11404	9575	17620	11928	14144	22446	27053	35819	41749	17693	19267	0	23408	24327	7577	8574	9441	25265	16080	33898	23967	23510	9134	0	12318	26756	Phytochemical	0.5416667	1.25	0.083333336
12	C24 H30 O13 N2	555.18207	555.183	0.13290337	555.1821	17296	14591	17889	23015	10402	10317	19672	34909	13102	21132	8336	11337	17210	4082	20581	23017	14025	17567	21982	25986	16667	47802	18239	24835	14514	2086	12891	0	20175	17018	21345	17091	27474	21108	37590	23173	25481	16275	17786	23047	23619	10731	0	0	0	35710	25898	0	18287	18362	14915	17704	12935	0	23018	9821	6985	24881	30450	8697	33647	22671	24109	17186	8130	17901	13680	19494	0	6175	3799	20623	17609	19719	9802	20997	0	19412	15411	0	13200	22337	13360	12238	9779	11004	15877	9511	14485	25320	11162	27930	38382	19719	18506	0	24335	21785	7086	6527	10717	21028	14752	19203	25857	18945	14535	0	15160	25166	Phytochemical	0.5416667	1.25	0.083333336
26	C29 H30 O11	555.1861	555.1867	-0.05382058	555.18604	10527	10722	12719	13168	19023	10392	0	0	22884	46771	22002	0	40943	14068	0	0	0	21477	24474	35377	30683	19456	7207	0	0	40721	2198	16114	0	0	4369	0	5258	0	47455	0	4712	0	3392	16400	15250	0	0	0	0	14217	15749	0	0	0	14032	16840	12459	0	21711	20827	7454	5237	0	0	0	14118	36200	19558	4766	18936	4359	0	46123	52838	63380	3062	0	0	0	0	0	0	16000	15147	11140	12496	3358	16404	29618	12086	11096	4232	4960	4130	6383	9253	6539	15215	28026	0	13955	11554	16558	21152	23168	0	2868	0	0	3448	17376	0	5030	31082	Phytochemical	0.37931034	1.0344827	0.0
28	C29 H30 O11	555.1861	555.18677	0.07890753	555.18616	6371	5886	6983	5845	9838	4306	1711	0	12020	21222	7277	0	18172	5682	2562	0	0	8964	8950	13139	14174	4867	3233	0	0	15433	1991	6998	0	0	1340	0	2892	1829	21178	0	2549	2169	0	7200	5757	0	0	0	0	5126	7172	0	1699	0	3984	4936	5604	0	8503	8209	2860	1971	1956	0	2900	2978	12724	5778	3214	11638	4412	1288	17584	29384	30682	0	0	0	0	0	0	2121	6516	5159	4096	4218	2149	4731	14879	6359	6168	1615	2416	2795	3352	2181	2657	8916	13874	0	5477	4875	6778	13911	12723	3008	1262	2650	3961	1982	8173	0	2573	12260	Phytochemical	0.37931034	1.0344827	0.0
14	C29 H30 O11	555.1861	555.1869	-0.077349864	555.18604	6681	6090	5437	0	0	0	0	5642	6451	17030	14209	4969	5081	4020	2291	0	6444	0	0	11403	12448	0	0	0	2183	15002	3730	0	3465	4014	4141	0	3755	3097	18128	3623	0	0	7924	6837	14560	0	0	0	0	0	9955	0	0	4738	5680	0	2865	0	4601	4023	2436	8568	0	0	0	5669	4372	4681	0	2485	0	6068	0	13479	21240	3823	0	2627	2600	6049	0	2135	9221	0	4534	5378	3722	8607	6543	0	5326	0	0	6887	5276	7377	0	6689	8598	0	6597	7197	6266	4274	6155	0	0	0	0	4533	5080	0	4551	4645	Phytochemical	0.37931034	1.0344827	0.0
22	C26 H34 O11 S1	555.18945	555.1907	0.45759812	555.1897	24592	7471	7914	8123	8503	8097	2603	6481	0	33316	0	0	10422	0	6586	13366	10502	0	0	29436	15247	38408	7276	18738	16498	6972	3234	0	8686	4116	5584	6376	7352	5150	12130	5610	4932	6079	10850	0	7396	9388	0	0	0	56850	23368	0	5927	16646	10219	15916	6163	0	19702	4184	0	12470	8534	3815	14396	21694	6301	16726	0	7734	5062	9560	0	14299	0	0	4654	5511	5183	6380	0	4558	6644	6097	0	39174	15362	10348	7547	4670	6419	4288	8455	17398	27026	35392	11578	17180	34014	0	14790	7905	5908	3645	0	9735	6032	7654	50988	6029	3637	0	7231	20422	Organosulfur	0.42307693	1.3076923	0.0
20	C28 H35 O8 S1 Na1	555.20233	555.20276	-0.46424332	555.202	8833	7406	7659	7548	6127	7028	6138	8634	7717	25456	12336	4320	6440	5274	6542	7546	3730	10403	8791	14521	28661	13251	5187	7503	5431	10835	4603	9742	5767	4910	3575	7257	6169	8088	30660	8012	9076	8381	3637	27261	14176	4853	0	0	0	14277	12548	0	7039	9975	10064	9805	9381	0	9919	7716	4054	7481	7268	5884	7508	11549	10579	7010	3287	4514	6894	5354	10422	16945	20893	7485	6028	4612	4990	6497	0	4237	7957	12570	3556	11275	6146	12449	7127	5146	7356	9412	16300	10404	12909	13516	16257	15333	15601	0	8783	8829	5627	7268	3965	7244	3427	5784	9264	11197	3598	0	5124	9838	Organosulfur	0.2857143	1.25	0.0
14	C26 H34 O13	555.2072	555.2082	0.27405754	555.2074	44810	41011	32502	28001	13273	11883	26576	41780	22596	55625	33147	20879	24602	8817	26442	38400	31521	18662	19695	55246	40232	43332	28645	34147	24314	18550	25462	16071	29968	40543	26669	32369	32280	22417	61627	33747	36571	25594	25521	68336	33484	13566	0	0	0	39103	36051	0	29929	34256	34476	34034	17009	0	28863	15785	10675	35328	32220	31622	56182	26257	19515	21388	13221	20469	14073	30923	14505	24611	25683	27787	28691	27211	26318	30887	0	26234	29281	19994	25445	33920	24846	29400	19834	15056	24838	11759	18894	32597	24241	33264	38893	24425	34374	0	34885	32546	16869	16939	16289	31106	22733	44435	25855	30563	18687	0	22755	18114	Phytochemical	0.5	1.3076923	0.0
16	C26 H34 O13	555.2072	555.20807	0.112843014	555.2073	56933	57898	61800	59834	32699	32942	42777	65869	47334	132214	53168	31705	50516	15375	60984	54363	34323	42477	54660	99915	85183	73766	50553	68145	48476	29378	37131	41370	60653	50275	55718	66731	65482	48280	141097	56768	68670	49829	33406	77460	41579	27234	470	0	0	89230	63218	0	65394	56077	60334	60700	33495	0	66632	35930	22800	59041	73741	35678	53783	54683	57296	46593	17891	38449	34679	37065	28377	50015	45348	65389	58431	60844	38853	57546	0	42007	45323	43872	44306	65892	45704	48037	37699	26946	45118	26380	29123	45142	54123	65167	85827	51972	62541	0	61694	54288	37020	32202	34057	63816	36031	67556	59812	65256	29516	0	40856	46588	Phytochemical	0.5	1.3076923	0.0
20	C26 H34 O13	555.2072	555.20795	-0.028625919	555.2072	62563	60036	59852	48483	34527	32613	30790	62574	60293	131926	41566	24999	66860	25989	68184	37456	16950	72421	76905	119396	93045	80476	48504	47918	71010	23445	24499	33384	61199	45862	58737	57200	63306	46262	160179	49317	71788	42608	22760	88793	22712	27918	1197	0	0	130944	43996	0	51014	47857	63849	64632	36733	0	96675	32436	26285	50695	77193	14292	46136	56830	76100	59238	19433	42760	41751	20341	21527	75332	28611	55974	52677	64025	24317	45394	0	51792	37536	26942	38884	56538	36521	44299	35561	29330	29292	19747	34405	21574	46886	79539	77609	39057	68017	0	63625	61634	35082	23675	22456	42025	36416	64089	71395	46792	31442	0	32321	77730	Phytochemical	0.5	1.3076923	0.0
12	C21 H39 O13 S1 Na1	555.2082	555.2095	0.12713724	555.20825	15728	17214	14764	13734	6570	6256	15491	17533	5198	18771	12583	11364	6668	4036	9693	12263	8748	7027	8407	17243	15022	13844	12641	19053	0	7877	12859	0	14505	12066	15401	18789	17510	11368	27236	15499	12974	13417	17098	16109	11233	7398	0	0	0	15033	24136	0	15591	14098	11757	16174	6151	0	6813	5929	4830	13029	18459	9392	0	6912	6293	7213	3807	5809	4720	11393	0	0	9215	13372	12790	12329	10241	13319	0	10922	15590	0	11439	9967	14042	10348	5229	4350	15331	7281	9001	25680	15150	11444	0	13696	10892	0	12948	12683	6700	6647	4879	17741	9530	13035	0	12820	4634	0	11748	8203	Organosulfur	0.61904764	1.8571428	0.0
14	C25 H34 O12 N2	555.21844	555.2195	0.16914436	555.21857	11858	17999	12756	12814	4239	7815	14033	18766	7017	15708	2228	11175	9067	2241	17987	14838	8938	8879	14070	21699	13574	20890	11540	24275	20338	2963	6803	0	20318	17676	16986	20032	23497	17702	18339	20338	20267	17286	8230	15618	8597	8281	0	0	0	16021	5020	0	21306	19014	15016	11235	6695	0	20216	6131	4027	17640	27917	0	0	10414	10809	9498	7239	7615	9693	9694	0	7286	0	15185	14810	21423	7282	14634	0	13691	11009	0	9592	12804	13935	6731	4682	6667	9955	7605	7383	13602	22867	23095	31389	3853	11822	0	11865	13630	3317	5495	5311	19367	8085	18419	0	12732	5330	0	13006	12333	Lipid	0.48	1.36	0.08
12	C30 H34 O10	555.2225	555.2233	-0.09322378	555.2224	0	1851	0	0	1495	0	0	0	0	0	0	1093	0	0	0	3804	0	0	0	0	0	0	0	0	0	0	0	0	0	1923	0	0	3346	0	0	0	0	0	0	2564	0	1705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4442	0	0	0	0	0	0	0	0	0	0	0	0	1447	1599	0	1738	2138	0	0	1228	1990	0	0	0	0	1474	1541	0	1466	0	0	0	0	0	2248	0	0	0	2464	0	0	0	0	0	0	0	32218	0	0	0	0	0	Phytochemical	0.33333334	1.1333333	0.0
28	C30 H34 O10	555.2225	555.2232	-0.036542933	555.2225	7889	10647	8690	8685	13695	5652	0	5016	13954	20860	12167	2440	20502	7595	4551	6294	0	10569	15512	16401	20316	7797	4949	7672	3416	33126	3423	13527	0	2629	5108	3377	5369	3118	24876	3323	6074	2873	3206	11826	11706	4677	0	0	0	7165	8041	0	4809	4464	9977	7460	7725	0	13168	13134	3713	6496	3532	3280	4973	8474	14258	9594	3491	14221	6532	3487	32066	36447	44579	3159	2416	0	2730	1780	0	3441	12069	9485	7579	3439	2823	8262	17404	7669	9661	3483	3122	5152	6093	7739	6651	8463	8124	0	10774	6143	9074	17857	19090	4871	0	5746	3883	4680	10152	0	3912	15733	Phytochemical	0.33333334	1.1333333	0.0
8	C31 H38 O7 S1	555.2411	555.2421	0.10517303	555.24115	13385	13346	12490	13461	713	686	0	3620	0	54380	203321	1149	2245	0	2660	4649	0	0	0	2976	1384	1521	3188	2719	938	0	625	0	2475	4207	1850	2981	2994	0	7361	1190	3300	1639	852	31625	11733	0	0	0	0	23820	30526	0	2158	1527	13060	10551	0	0	0	0	0	1794	631385	1914	0	197368	950	731	0	870	0	1403	0	1903	0	4289	1108	2048	0	3788	0	1617	1067	0	0	512	0	1525	0	0	1585	1444	754	1369	0	6139	4937	56187	11687	0	11734	15538	0	0	0	1507	0	27218	2607059	1800	0	0	1652	953	Organosulfur	0.22580644	1.2258065	0.0
18	C27 H38 O12	555.2436	555.2444	0.007764514	555.2436	50054	43816	47427	43671	24977	26379	42280	59285	36790	79058	39943	27253	35031	15276	48843	50438	31847	32956	48342	69354	43281	44650	38574	59935	50514	15855	32780	31605	51722	44165	60013	58443	57996	51783	92593	59467	61057	47099	34469	40839	29409	24188	534	0	0	45764	19313	0	64135	46947	48821	33380	20302	0	48235	33896	21534	53186	49388	23006	50339	34302	49310	34322	20687	31087	26114	39447	15850	32043	27478	47570	39872	53231	35989	65648	0	37976	45875	23520	35019	25127	43466	33223	23167	23178	35648	20667	25252	28130	50766	57016	70440	24940	42181	0	47533	38316	25849	26174	25425	56815	31648	60236	20629	38955	22963	0	36813	39857	Lipid	0.44444445	1.4074074	0.0
10	C22 H43 O12 S1 Na1	555.24457	555.2455	0.35809892	555.24475	2805	3018	2576	2811	1095	1137	3409	6318	1309	2383	0	2872	1136	0	3047	3529	3626	0	1460	2804	1583	3331	2265	4508	2497	0	3851	0	4282	4224	2562	3822	4667	2631	2042	5592	4354	1823	5614	3352	2315	1935	0	0	0	2997	0	0	4575	3651	3241	3883	1447	0	1345	1082	1405	2882	0	0	0	0	1206	0	0	0	0	0	0	0	0	3799	2677	4220	0	4486	0	3148	3815	8457	1506	1897	1496	1882	894	828	2857	1339	1722	4792	33474	5343	5594	2366	2135	0	3027	4465	0	984	961	3757	1092	0	0	2648	833	0	4732	0	Organosulfur	0.54545456	1.9545455	0.0
14	C22 H43 O12 S1 Na1	555.24457	555.24506	0.059947774	555.2446	16386	13275	8728	16398	4506	4863	11595	17027	6863	10827	9084	12296	4172	3068	12966	22487	20020	5771	6633	11399	8220	13429	9059	16664	16893	3931	12625	0	14847	14967	14961	15541	15390	9914	9258	21673	16692	9041	16042	4699	5429	6437	0	0	0	13389	10926	0	15487	17953	10853	9047	6224	0	5590	3503	5306	14107	12265	10346	0	3982	5230	4534	3748	4531	5197	16056	0	6489	7673	12890	12723	21424	18640	10909	0	11522	11663	0	10217	8071	12238	6163	4132	4717	17342	0	6636	15634	24067	19908	18829	7674	5639	0	11699	13844	5315	4999	5711	15994	13286	14390	0	8275	4372	0	14137	5747	Organosulfur	0.54545456	1.9545455	0.0
10	C25 H38 O8 N4 S1	555.2483	555.2487	0.021448188	555.24835	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3902	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12694	0	0	0	0	0	0	0	0	0	0	48726	13580	0	1422	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.32	1.52	0.16
0	C23 H42 O13 N2	555.27594	555.27716	0.3884242	555.2762	0	0	0	0	0	0	1640	4854	643	0	0	2204	0	0	0	0	15694	0	0	0	813	0	0	0	0	0	0	1662	7464	2232	11363	3041	30999	9178	0	2575	5162	2296	23677	0	0	0	0	0	0	0	0	0	5187	2179	0	0	1517	0	3302	0	0	2707	0	0	0	0	2588	0	0	3172	1914	16768	0	0	0	5709	9446	4031	0	3163	0	3444	0	577	0	0	0	0	1212	0	0	2026	0	0	1476	0	0	0	0	0	0	0	359	0	1408	3329	6396	0	0	5711	494	0	1113	2722	Lipid	0.5652174	1.826087	0.08695652
6	C32 H42 O6 S1	555.27747	555.2778	-0.79914397	555.27704	0	0	1271	0	0	757	0	0	0	0	0	0	0	0	0	1234	0	0	0	0	0	0	0	0	493	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20561	0	0	0	0	0	0	0	0	0	0	62519	14528	0	1112	0	0	0	0	0	0	0	0	0	0	0	1017	0	0	0	894	Organosulfur	0.1875	1.3125	0.0
18	C28 H42 O11	555.27997	555.2809	0.10779833	555.28	8273	13161	9944	10553	4177	4445	11222	11447	3839	6487	4215	6841	9298	2577	9172	8139	10058	2822	10402	4933	3468	5159	10012	9623	5623	2697	13502	8092	16109	13174	9414	12273	12850	12340	2575	17430	15308	10366	9421	3196	2827	7055	0	0	0	4355	2624	0	14074	14815	5344	8849	2813	0	6802	3871	4001	13342	4954	4374	10400	2670	4772	6453	5345	3615	2872	9896	2350	3618	4221	9576	8640	11243	17791	14365	0	7437	6627	8138	7142	2262	8176	2577	7450	7901	9559	3677	9332	9249	232575	26483	12712	2709	5479	0	9287	9386	1934	4887	7095	12443	10105	9986	3317	9652	4719	0	8564	4938	Lipid	0.39285713	1.5	0.0
16	C23 H47 O11 S1 Na1	555.28094	555.2818	0.5677562	555.28125	4673	3606	6131	4817	1246	0	6743	0	1749	2724	2051	5046	2121	0	4715	5459	8462	0	2573	3998	2320	2049	2069	4753	3905	1908	7435	5330	4475	6636	5145	4412	5850	4027	1573	7242	8432	3604	7670	0	1447	0	0	0	0	2531	1474	0	10671	3830	4793	4735	0	0	2828	1982	2420	3248	2296	2551	6614	0	0	1672	1703	0	2404	5170	0	2577	0	2977	6388	7124	6754	9260	0	4967	1972	24268	1875	1762	1765	0	3107	3421	3738	1635	0	0	179614	26684	0	0	0	0	2913	3885	1129	2576	3763	6556	2713	5808	0	0	2307	0	4110	0	Organosulfur	0.47826087	2.0434783	0.0
18	C32 H42 O8	555.2952	555.2959	-0.11105091	555.29517	4751	6644	2718	4123	0	0	6976	5757	2125	0	1945	4747	0	1721	7326	7350	16130	0	2701	3868	3451	2531	5843	4118	4450	2139	11517	2049	5006	9554	4762	7923	7680	0	2929	8072	7928	5508	21792	1927	3212	2596	0	0	0	2374	4417	0	6078	4660	7717	8080	0	0	3271	2298	3334	7219	2050	4487	6837	1339	1996	1721	1829	0	2141	22376	1331	3007	5401	1691	0	7791	14204	6971	0	5044	7283	4008	3745	2043	3606	2632	2467	1283	6043	1686	2862	11856	10341	7116	10622	0	0	0	5628	5450	2010	4944	4596	7984	4064	5121	1346	6696	3599	0	6905	0	Phytochemical	0.25	1.3125	0.0
20	C32 H42 O8	555.2952	555.296	-0.030171782	555.2952	20205	24931	16572	15277	8883	6709	26066	20119	14741	8175	13896	18091	11002	13277	20870	33572	47112	9860	18894	20725	14431	16063	14103	21345	18412	25888	25606	14840	19241	19767	19813	23324	25592	14755	18071	26090	24061	24464	50844	9363	19287	12372	0	0	0	7699	14540	0	22465	20199	23842	24195	10089	0	14672	15550	13647	25847	11261	19739	16905	10646	13160	12280	10560	11734	10721	59365	16280	15872	35480	11147	14635	23783	36506	20288	0	17347	34840	14565	23601	7542	19384	0	16393	14177	34010	9454	13028	46032	19544	22209	27844	15133	11950	0	18042	22604	10518	23169	25450	34796	15724	24319	5137	21281	14194	0	27850	9925	Phytochemical	0.25	1.3125	0.0
12	C29 H46 O8 S1	555.29865	555.3002	0.21125782	555.2987	0	0	0	0	0	0	0	0	0	6102	3380	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4575	0	0	0	0	7208	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	184220	0	0	15135	0	2340	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8298	0	0	0	0	0	0	0	0	0	0	204769	0	0	0	0	0	Organosulfur	0.27586207	1.5862069	0.0
6	C33 H46 O5 S1	555.31384	555.31433	-0.514007	555.3136	0	0	0	0	0	1839	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2734	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27521	0	0	0	0	0	0	0	0	0	0	20287	2352	0	597	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15151516	1.3939394	0.0
18	C30 H42 O6 N4	555.3177	555.3185	-0.09653456	555.3177	0	0	0	0	0	0	3630	5205	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7296	0	0	0	0	0	0	0	0	12255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20000	20108	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8361	0	0	0	0	5916	0	0	0	0	0	0	0	0	0	0	51237	0	0	0	0	0	0	0	0	0	0	0	0	47931	16923	4710	0	0	0	0	Peptide	0.2	1.4	0.13333334
22	C33 H46 O7	555.3316	555.3323	-0.09042479	555.3316	8709	7024	7128	8481	2792	1908	7650	8642	5616	2579	2765	6790	2740	8133	4483	15384	24712	0	4917	2839	3947	5839	5881	5793	9853	4876	10256	3590	12514	8619	7269	9840	4970	2909	1537	14435	8674	6710	24848	1418	4195	4015	0	0	0	2005	2177	0	7852	8132	8301	3704	5062	0	10870	12476	6521	11562	4155	9061	10920	2181	5302	3860	6052	4318	5655	26301	3399	4866	6942	1996	2969	8049	18554	9466	0	3490	15786	3594	8523	3123	5145	3660	7081	8512	15777	3695	5434	23027	2947	6205	8866	3420	4165	0	8091	6909	3634	14774	17483	8731	6119	2673	2917	9045	6521	0	12811	5082	Lipid	0.21212122	1.3939394	0.0
18	C26 H50 O12	555.3375	555.33813	-0.06622965	555.33746	7126	3628	4695	5004	6388	4356	5629	2005	3895	5004	5096	4268	0	7784	3756	1685	2667	0	0	1835	0	2791	1714	4407	2371	1358	3930	4437	0	2326	3464	7232	5552	5802	4715	2658	2166	4109	2697	5021	3696	2743	10884	11278	5675	2020	2451	10468	3394	3740	5081	3252	7509	6358	0	1924	7519	3469	64109	21754	0	4737	3274	5148	7269	3452	2471	1832	2458	2868	3068	6325	4230	2394	3525	6941	6253	3179	1476	2885	4640	4209	509632	3637	2234	2395	3356	4508	4888	3969	7612	0	0	2733	2035	9357	3499	3563	6302	8006	3137	1478	4212	48147	11535	5358	1969	11077	3141	0	Lipid	0.46153846	1.9230769	0.0
10	C34 H50 O4 S1	555.3503	555.35046	-0.26088157	555.3501	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12073	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48993	0	0	0	0	0	0	0	0	0	0	53252	8311	0	3820	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.11764706	1.4705882	0.0
26	C31 H54 O8	555.38916	555.3898	0.035549	555.38916	0	0	0	0	0	0	6614	0	0	0	0	0	0	0	0	0	5363	0	0	0	0	0	0	0	0	0	4338	0	0	0	0	0	16084	0	0	0	25601	0	3235	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3068	0	0	0	0	0	0	0	0	0	7338	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26076	0	0	0	2662	0	0	0	0	Lipid	0.2580645	1.7419355	0.0
28	C22 H21 O16 N1	556.0933	556.0942	0.07726588	556.0933	1999	0	3384	3553	5168	4547	0	0	6109	0	1566	0	17512	1515	0	0	0	7973	7005	0	6615	5809	0	0	0	0	0	0	0	0	0	0	0	0	3983	0	0	0	0	0	2483	0	0	0	0	10007	23758	0	0	0	3715	2661	3641	0	8763	6626	1472	0	0	0	0	3722	14921	5947	1914	5574	1781	0	0	0	0	0	0	0	0	0	0	0	1827	4782	0	8203	0	0	7884	0	0	0	2218	0	0	1076	0	8214	4102	0	3798	4011	7011	3949	7240	0	0	0	21675	0	5541	0	0	13377	Phytochemical	0.72727275	0.95454544	0.045454547
18	C22 H21 O16 N1	556.0933	556.0943	0.1300898	556.0934	2235	4165	3099	1801	13142	3899	0	0	12975	2898	1946	0	23868	2748	0	0	0	8617	12680	0	3662	10625	1424	0	0	0	0	0	0	0	0	0	0	0	4176	0	0	0	0	1193	5390	3326	0	0	0	5529	23140	0	0	0	4340	2985	4819	0	9723	13443	4708	0	0	1508	0	2438	21775	10684	5361	7859	2791	0	1106	0	2020	0	0	0	0	0	0	0	0	9707	5272	6052	0	0	16633	4418	1529	1813	3482	0	0	0	0	13974	5687	0	3347	3097	16075	12346	18731	0	0	2023	20236	0	11046	0	0	20314	Phytochemical	0.72727275	0.95454544	0.045454547
22	C22 H21 O16 N1	556.0933	556.0942	0.06930925	556.0933	1686	4408	2451	0	7574	3184	0	0	7380	0	3732	0	15326	0	0	0	0	7283	5695	2947	2091	8970	2528	0	0	0	0	0	0	0	0	0	0	0	1542	0	0	0	0	1911	0	2751	0	0	0	4765	26430	0	0	0	2149	2721	3557	0	9735	9455	1947	0	0	0	0	3143	12494	10038	3155	5960	1494	0	0	0	1803	0	0	0	0	0	301	0	0	10196	1763	8185	0	0	14934	2174	0	0	2081	0	0	0	0	8549	0	0	1863	2995	5778	6979	9487	0	1153	0	18848	0	10465	0	0	14645	Phytochemical	0.72727275	0.95454544	0.045454547
20	C22 H21 O16 N1	556.0933	556.0942	0.09077306	556.0934	2575	3364	2168	2952	9398	0	0	0	12357	0	0	1517	19241	0	2187	0	0	13104	10711	0	3760	10128	22191	3855	0	0	0	0	0	0	0	0	0	0	0	0	2820	0	0	1950	1767	1702	0	0	0	7799	21633	574	0	0	3449	2625	5470	0	12321	13732	3447	0	1290	1017	0	4398	17539	5804	3361	4254	2226	0	0	0	0	0	0	0	0	0	281	0	21579	10865	22650	8669	0	0	15261	3942	23337	2158	2244	0	0	0	2549	11761	3160	0	3652	2867	10367	8997	13033	0	0	0	15707	1844	7349	0	1279	16350	Phytochemical	0.72727275	0.95454544	0.045454547
26	C22 H21 O16 N1	556.0933	556.0941	-0.17164706	556.0932	4392	2306	0	2261	6235	2885	0	0	8402	0	0	0	14415	0	0	0	0	9494	0	0	0	5771	0	0	0	0	0	0	0	0	0	0	0	0	2019	0	0	0	0	0	0	0	0	0	0	0	27109	0	0	0	3476	2915	0	0	8834	7984	0	0	0	0	0	2796	11397	5525	0	5724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5244	0	0	7857	0	0	0	0	0	0	0	0	6840	0	0	2659	0	3641	5323	7162	0	0	0	16251	0	0	0	0	12826	Phytochemical	0.72727275	0.95454544	0.045454547
12	C23 H25 O15 N1	556.1297	556.1307	0.17547199	556.1298	14291	8419	11414	11072	20334	8253	0	6838	26077	17638	11030	6104	38756	4460	6198	4865	9144	33853	33512	17304	31082	36695	13485	7958	1981	840	5506	0	4383	3195	2915	3247	9280	3925	18581	4936	5991	7104	6900	16008	24382	10412	281	0	0	38258	95711	0	6293	4265	10486	14308	12113	0	26634	25412	10919	3719	0	0	0	12641	50671	25283	9276	31683	9538	5732	0	3691	5896	2316	4331	2195	3994	1488	0	6241	11918	25364	11562	33584	1831	1896	34684	11950	8780	7705	7327	7400	0	3576	8473	44614	25850	0	13350	17189	29830	22108	28462	7575	4291	5421	55518	5336	25441	0	3555	25850	Phytochemical	0.65217394	1.0869565	0.04347826
22	C23 H25 O15 N1	556.1297	556.13055	0.15728335	556.12976	12860	16254	9954	13044	26036	18654	0	3512	27852	10318	3012	4334	43670	0	8932	9152	0	35894	18496	25966	29950	39536	13164	6430	5296	6442	4342	1673	0	0	2390	0	3974	0	10154	4530	0	7030	3488	15010	21438	8714	0	0	0	104726	414573	0	5232	5248	15864	9092	18744	0	42898	28728	12934	3944	5320	7198	2748	27670	28250	17836	11592	15030	8702	2570	10135	12038	18096	2420	2144	3520	4330	4274	770	5712	11046	39470	11888	104916	2448	9391	41926	16684	5918	4850	3516	3994	0	12332	7962	38068	40272	0	13926	14820	35238	15350	19418	7766	6690	9010	156628	5810	25374	0	3148	35126	Phytochemical	0.65217394	1.0869565	0.04347826
24	C23 H25 O15 N1	556.1297	556.13055	0.18040076	556.1298	25436	23708	10864	16012	23442	26200	0	0	28828	21552	10640	6988	69960	9644	0	0	0	67952	34348	27648	36736	52852	12704	0	0	10246	0	5648	0	0	0	0	5848	0	21832	0	7016	0	6504	15788	28208	10164	0	0	0	171816	290080	0	4060	0	26268	18144	24160	0	36944	21696	6288	0	12648	5596	5928	43628	84536	28368	13500	22864	12100	0	18758	7966	21460	7652	5436	0	8800	0	0	11796	10932	50720	7712	158128	0	8446	24108	0	6264	0	10904	0	10964	17505	7308	48640	39748	0	25272	21864	23856	15180	20112	0	3580	7956	210700	11192	31244	0	4696	53104	Phytochemical	0.65217394	1.0869565	0.04347826
26	C23 H25 O15 N1	556.1297	556.13055	-0.033834346	556.1297	3053	3900	2911	4370	6453	5212	0	0	5086	6927	2246	0	10413	2171	0	0	0	11295	5198	7563	9297	9245	0	0	0	0	0	0	0	0	0	0	0	0	7673	0	2053	0	0	6463	5751	0	0	0	0	38875	73977	0	0	0	5894	5271	5156	0	6542	0	0	0	0	0	0	7484	8229	6066	2298	3949	3277	0	0	3071	3460	0	0	0	0	0	0	0	2217	7239	0	31333	0	0	8378	0	2763	0	0	0	0	3219	0	8670	11112	0	4186	6176	6399	3251	0	0	0	0	50410	1903	5166	0	0	10209	Phytochemical	0.65217394	1.0869565	0.04347826
18	C23 H25 O15 N1	556.1297	556.13055	0.05381378	556.1297	18964	25240	22564	20677	36878	24048	4824	6538	37932	14944	11760	6233	81378	10049	16078	8495	5942	64043	56479	21132	33781	38742	17537	6963	3299	2883	2534	4675	7078	6049	6669	3531	13288	0	19784	5567	7041	10364	3779	18774	21129	15164	595	0	0	97181	145831	0	3851	8080	22757	17542	19447	0	53567	42982	14120	7905	11332	4450	8365	28612	51427	39678	15707	31991	20521	5869	5769	7864	10844	5091	3707	3222	4474	0	0	6499	11093	87824	12349	81023	2595	3938	44224	19149	10189	9602	17662	5063	5037	7128	13623	52945	45894	0	24119	22560	33506	23610	37208	11030	7910	9344	119350	7402	38661	0	5793	49623	Phytochemical	0.65217394	1.0869565	0.04347826
14	C23 H25 O15 N1	556.1297	556.1306	0.12673484	556.12976	46060	42295	47402	39712	67137	42774	6972	16794	89000	45133	30298	22340	134141	26810	27249	14822	25176	105491	95690	57628	99440	168198	43486	13374	10234	5846	8154	0	7514	19148	13930	0	27195	9522	65679	15119	20200	19156	14814	32197	59357	30615	0	0	0	148787	328443	0	6798	17675	42439	44905	50127	0	101416	91913	33809	12910	18000	34234	0	65040	134082	99041	32158	77842	38820	20053	0	2497	25495	9872	10539	8170	12056	11642	0	13408	35938	103858	27162	130457	7800	7636	95938	44386	28511	27440	23420	24039	7442	15785	24195	147682	97368	0	33583	50622	81857	68560	94731	35268	23948	24910	304976	18758	76292	0	9703	112805	Phytochemical	0.65217394	1.0869565	0.04347826
16	C23 H25 O15 N1	556.1297	556.1306	0.097378746	556.12976	26152	22731	21894	19934	44587	29220	4689	12129	47337	20862	18587	11645	87400	10318	13542	8910	9545	69089	54250	28514	37730	56966	28674	10016	3553	0	3837	4505	9925	7059	6770	0	10128	5329	27292	9764	8597	10907	8750	14985	31926	19045	1099	0	0	88316	167192	0	3485	8375	22969	22395	23093	0	60318	52086	17297	9922	9562	11824	14308	27869	70980	41072	16156	40871	17580	4761	7308	4881	11734	5870	4168	6203	9601	4844	333	11025	17255	54369	11557	85696	3212	4643	57080	26268	5196	14922	18970	0	0	14986	0	66545	57447	0	22897	32386	39910	33954	49356	10798	8277	7429	130775	11840	43319	0	4863	69379	Phytochemical	0.65217394	1.0869565	0.04347826
10	C23 H25 O15 N1	556.1297	556.13074	0.26156405	556.1298	6461	6459	4577	4081	8555	3795	2266	1400	14114	5821	6272	2785	22447	2952	2289	3219	3702	11471	13266	7475	15398	13795	6480	3119	0	0	1581	0	1389	1119	0	1201	3006	1566	8312	3169	3452	1938	3189	5025	11518	3616	0	0	0	10488	47920	0	2087	3822	3403	8547	5524	0	11710	13871	2524	1786	2610	4571	0	5220	27228	11469	6171	8552	4824	3786	0	0	4017	1988	0	2058	2669	3075	0	2876	4737	8481	4488	12349	818	1293	16388	4671	3351	3367	3870	4126	0	2742	4024	18827	13405	0	5815	6561	11388	12348	15288	5432	3215	0	16138	2463	12099	0	1904	16352	Phytochemical	0.65217394	1.0869565	0.04347826
26	C27 H25 O12 N1	556.14496	556.14575	0.11589032	556.145	0	3667	2310	2912	3569	3531	0	0	6778	13913	4964	0	0	2775	0	0	0	0	0	5460	11996	9920	0	0	0	0	0	0	0	0	0	0	0	0	23323	0	0	0	0	7692	6354	0	0	0	0	0	14060	0	0	0	4110	2848	4198	0	4333	0	0	0	0	0	0	3058	12764	4625	0	3382	4826	0	0	8508	7398	0	0	0	0	0	0	0	1861	7504	0	7568	0	3454	5915	0	2044	2498	0	0	0	0	0	9229	26449	0	4060	0	3271	3228	0	0	0	0	0	0	4942	0	0	8425	Phytochemical	0.44444445	0.9259259	0.037037037
22	C27 H25 O12 N1	556.14496	556.14575	-0.003892872	556.14496	10598	10935	10728	7045	14239	8399	1971	0	17162	39982	21297	0	13664	0	2330	2284	0	17156	12777	27381	32163	30865	3183	1873	3764	9578	0	10947	1587	1565	2039	0	4365	0	51242	0	3930	2107	1236	20783	14281	4003	0	0	0	21968	22852	0	1417	0	9226	7787	9727	0	14365	13070	3443	2832	2201	2451	2533	13245	19675	11204	3914	11113	7266	2992	12483	24094	13724	0	0	1195	0	0	0	0	7382	23418	5711	20695	1627	12517	15474	7260	4202	3746	4678	4502	0	9501	4414	38450	46936	0	11041	7238	10754	7946	11869	2706	0	2823	15644	1852	7079	0	2199	20271	Phytochemical	0.44444445	0.9259259	0.037037037
24	C27 H25 O12 N1	556.14496	556.14557	-0.017292537	556.14496	5821	5953	5058	5557	6915	5005	0	0	7476	29280	8224	0	8692	1856	0	0	0	8945	8412	12856	19001	17199	2303	0	2676	6754	0	5345	0	0	2079	0	1375	0	28688	0	1831	1098	1663	9725	5186	0	0	0	0	12991	14920	0	1526	0	9367	3357	5518	0	8734	6546	3423	2030	1480	0	0	8565	14547	8437	3036	6172	2264	0	6369	8921	13683	1555	0	0	0	0	0	1117	3425	10874	3453	9730	1397	6817	7832	0	3791	2649	1927	1755	1885	0	2472	19629	30360	0	5160	6347	6319	4760	5217	0	1487	2623	10022	1670	4727	0	2149	11159	Phytochemical	0.44444445	0.9259259	0.037037037
14	C27 H25 O12 N1	556.14496	556.14575	-0.028290913	556.14496	2539	5732	3160	4265	5749	3490	0	1531	9189	29237	13538	0	10141	2452	0	3176	0	3722	2927	10382	20650	13482	0	3523	1663	9547	0	10194	0	1712	0	0	0	0	42501	0	1945	0	2064	10845	13981	2177	0	0	0	11342	18746	0	0	0	4598	6044	1729	0	3092	4085	1909	0	0	0	0	9746	13646	6720	2055	6210	2258	0	0	14149	18457	0	0	0	0	0	0	1356	2978	0	2501	8156	1450	7374	7343	3621	1211	2512	3445	5723	0	0	0	12183	22678	0	3298	4460	4118	6669	6427	2024	1246	0	0	0	2912	0	2041	8461	Phytochemical	0.44444445	0.9259259	0.037037037
12	C24 H29 O14 N1	556.1661	556.167	0.11973236	556.16614	30843	30280	29945	35425	23843	18909	24630	35147	38483	50289	30805	25646	49292	8165	31870	25121	29544	45990	45664	65687	67429	74396	40818	30825	15745	13579	11636	10954	31878	25647	25129	17383	31178	23332	77847	25354	23722	24894	24485	52962	56031	19898	401	0	0	113249	175332	0	26781	27695	29769	36412	23506	0	50358	27933	13910	27936	34001	23812	30161	53286	47814	31622	13733	35091	22231	22505	24696	19882	27246	22918	25414	29005	21567	19244	0	21746	23750	35123	22831	70103	19165	22883	32173	20833	21155	14874	21207	26197	14372	24845	37530	56276	47862	0	33926	52637	37088	24948	31767	37313	22608	31630	163052	22481	30050	0	17928	41127	Phytochemical	0.5833333	1.2083334	0.041666668
10	C24 H29 O14 N1	556.1661	556.16705	0.17977028	556.1662	15598	20464	13745	15169	10278	4263	8626	17013	14010	24398	15991	10482	20485	6540	10847	14040	11533	17999	19164	26879	30967	28305	13531	13233	5096	4491	7681	6532	10768	11370	9321	11037	12837	9649	23360	11746	14583	9841	15766	18635	24677	7215	0	0	0	33443	64572	0	11156	13682	14463	14490	9846	0	21498	13364	6276	8740	9681	13396	10813	19378	19634	15613	6659	17532	9957	15323	8428	5712	6875	13679	13693	10033	10027	7861	0	7248	14034	16188	11106	23383	8126	8601	17750	11224	11034	9259	6953	14324	3646	8471	12007	26290	30719	0	15780	18359	11808	13869	15593	16655	9580	15320	48735	10656	12528	0	7723	17757	Phytochemical	0.5833333	1.2083334	0.041666668
28	C24 H29 O14 N1	556.1661	556.1669	0.07380057	556.16614	4624	4737	4264	5170	3681	5516	0	2437	4871	15852	2176	1139	6262	1471	0	2889	0	7053	5781	16720	17646	7784	3026	2929	0	4087	1402	1987	2059	0	3458	1138	2597	1641	14070	2958	2192	1452	1649	11764	5577	2392	0	0	0	38160	40979	0	1866	0	5247	6312	2707	0	5199	2711	1795	2393	2292	1588	2490	7556	4910	3041	2965	3366	3684	1220	9212	14383	8409	2561	1407	3982	2283	2754	0	2009	2138	5798	1437	25738	1660	6486	3681	2252	0	1425	2284	878	2092	3730	2619	4674	9699	0	3621	4786	6159	2039	2723	2634	1570	3714	29843	2024	3303	0	2017	4746	Phytochemical	0.5833333	1.2083334	0.041666668
26	C24 H29 O14 N1	556.1661	556.1669	0.102001265	556.16614	5429	5457	5989	5178	4992	5659	0	0	5973	15004	3159	0	11770	0	0	0	0	7929	4650	17099	20393	6160	0	0	0	0	0	0	0	0	0	0	2226	2287	14550	0	3649	0	0	12424	7931	0	0	0	0	49541	57307	0	3391	0	6320	5462	3575	0	7199	0	0	0	2630	0	0	12608	6380	4528	0	6373	3602	0	0	9834	7599	0	0	0	0	0	0	0	0	0	0	33094	2895	6746	5562	0	2534	0	0	0	2030	5086	0	5549	10384	0	5121	8592	4962	1903	0	0	0	0	38111	0	0	0	0	5172	Phytochemical	0.5833333	1.2083334	0.041666668
14	C24 H29 O14 N1	556.1661	556.16693	0.06585086	556.16614	59339	58180	65151	59862	48904	40050	32760	63190	62019	107198	43827	35152	90949	23592	50274	44392	34952	96189	81964	127621	127942	124853	56196	54347	33313	34950	23799	27475	42130	48764	37815	44033	53480	34805	116190	45294	50204	46207	32609	73862	68461	35700	0	0	0	226268	286553	0	44900	60183	55746	57729	40300	0	96490	52718	26829	41930	70733	28764	96617	84453	88819	68428	32105	52374	39068	28739	54942	40677	37677	47003	39714	48208	31690	42687	0	36851	46755	96686	38033	138922	27109	38542	61033	43525	34354	26383	31876	35758	29155	45640	62221	93597	104981	0	58585	79527	51575	37433	56183	54936	36285	69888	328494	39114	47618	0	23552	81011	Phytochemical	0.5833333	1.2083334	0.041666668
16	C24 H29 O14 N1	556.1661	556.16693	0.029590013	556.1661	77487	74341	64568	71870	68680	60991	29742	70434	81208	103337	57630	32348	138526	31667	71246	57526	33636	129831	115190	157182	146459	137548	73779	55862	46898	33202	25865	31846	56031	56052	51950	58348	56657	41435	138125	60503	55177	42646	29036	112345	68797	45278	2296	0	0	303045	333298	0	48433	52027	63243	64838	51079	0	124145	67848	31662	46396	68198	29931	66553	87291	112219	75205	31088	69336	46280	25291	68192	68517	44825	53745	56724	57389	42484	55168	0	43414	41959	104189	39156	211912	32259	59857	88976	59232	33048	29726	39213	0	25298	56264	56245	94416	144623	404	77373	93104	60568	47583	55924	50765	31856	65528	295395	58117	79207	0	27264	104007	Phytochemical	0.5833333	1.2083334	0.041666668
8	C24 H29 O14 N1	556.1661	556.1673	0.4050377	556.1663	7818	16770	14726	8074	10170	5008	4548	6906	10248	16530	11314	7456	18532	0	6608	15826	9826	12644	12756	22190	17448	18848	11036	6202	2360	2118	5866	0	7374	6224	5420	10392	6306	7018	21286	6408	6722	5016	12880	10096	15092	6768	0	0	0	12056	40808	0	8508	10424	14378	8026	5726	0	14604	13402	4146	11358	4364	14916	8254	8102	18740	7792	5122	14586	6706	13036	0	3818	4300	7962	7282	6380	8996	6168	0	5338	10902	8968	7546	10982	4188	4026	12526	0	12730	6184	6354	11394	0	0	14502	13772	16632	0	11956	13730	8740	10516	15062	6948	7336	13950	18682	8340	8188	0	4868	17112	Phytochemical	0.5833333	1.2083334	0.041666668
14	C23 H29 O13 N3	556.1773	556.1784	0.38159803	556.17755	4321	11127	11246	5782	7082	3403	0	12308	3355	26890	15004	1934	11447	3295	6907	4100	0	6417	10917	23245	26252	23801	7540	4682	6903	20317	4601	10939	3673	4392	6226	0	7546	5514	37487	2167	7032	5476	1972	17620	14719	3968	0	0	0	7849	6852	0	3763	6448	4043	0	2232	0	11583	5231	2210	6538	0	0	0	7675	11464	3243	3050	8576	6597	10109	0	18260	15703	5381	7470	3189	5570	1961	0	3830	7682	0	3851	4612	6355	7318	8124	0	10460	0	5238	5458	6348	7884	18641	9269	16649	0	11741	3914	4293	0	5969	6143	5338	0	0	7265	5430	0	5539	8762	Peptide	0.5652174	1.2608696	0.13043478
24	C28 H29 O11 N1	556.18134	556.18195	-0.051635128	556.18134	7616	6661	3689	6804	10695	3514	1631	2908	12623	33536	14403	1518	10930	2405	3220	3416	0	10931	10474	20088	26455	14831	5555	2914	2493	21670	1562	11449	3215	0	0	2694	4394	0	41719	0	3166	2057	2301	18047	12566	2767	0	0	0	16496	18149	0	2146	0	7163	8743	7652	0	11670	7028	3353	2996	1716	1417	0	12992	12077	6404	1255	9175	5950	1841	18072	25091	31536	1456	1431	0	0	1711	0	1306	3718	11036	2132	10717	1841	12446	12968	0	4169	0	3308	3178	5223	5505	5426	17571	24274	0	6105	7344	7010	8520	6708	3402	1886	0	9075	0	5432	0	2137	13798	Phytochemical	0.39285713	1.0357143	0.035714287
22	C28 H29 O11 N1	556.18134	556.18207	-0.022471314	556.18134	14544	13714	14587	12742	13748	9587	3098	4227	16479	67557	31198	3408	19919	8117	6897	2409	2317	23710	21067	40112	50838	28366	6394	5084	5271	29793	3325	23519	4466	2700	3742	0	5677	3326	83894	3656	8762	2810	2994	33487	25184	4997	0	0	0	26953	27913	0	5540	1361	13215	13892	11930	0	17137	12392	7101	4896	6015	4236	3958	21845	23819	11925	6318	19335	10859	3753	31022	49118	48858	3884	2188	2764	1242	1802	0	3510	9488	16006	4900	22357	4361	23295	19525	9014	7762	5256	4894	5931	10256	13656	8363	30336	40809	0	11283	12733	14360	14179	15267	5577	0	7316	22285	4951	15412	0	5122	21621	Phytochemical	0.39285713	1.0357143	0.035714287
12	C28 H29 O11 N1	556.18134	556.1822	-0.07242363	556.1813	0	2739	2725	3586	2373	1822	0	0	2322	17497	7193	0	0	1606	0	2045	0	2879	3455	10047	14354	9303	1711	0	0	9691	0	9943	0	0	0	0	0	0	25902	0	0	0	0	7163	6547	1396	0	0	0	3198	0	0	1599	0	0	0	1562	0	4069	2786	1347	0	0	0	0	9165	2062	3069	1273	2175	1535	0	0	15741	9824	1712	0	0	1171	0	0	0	0	0	2112	0	1574	6977	1739	1619	2867	1392	1463	0	0	0	0	7365	7885	0	0	0	0	3409	3184	0	0	0	0	0	2876	0	1562	0	Phytochemical	0.39285713	1.0357143	0.035714287
12	C25 H33 O13 N1	556.20245	556.20337	0.050195064	556.2025	27470	29139	29807	27503	19383	12807	25610	55454	23119	52907	26071	23095	26704	7822	30434	35576	34997	33259	35532	60306	54850	44837	36871	37666	23249	25737	18807	18358	38730	33611	31420	25954	37700	24834	66210	38890	19198	25559	28522	44013	45328	18740	412	0	0	78027	73712	0	23353	37315	30516	27238	17590	0	38170	19260	12760	29693	45020	31429	33330	34169	30049	16966	9545	18414	23697	29246	25282	32625	28450	30497	28888	40384	21290	28849	0	25771	23654	23540	22469	40825	27545	26265	23205	15721	31400	11131	16288	34759	18193	31798	38269	31597	30768	0	28106	37518	25956	14254	18938	35922	19850	42835	55305	24724	17463	0	20929	27283	Lipid	0.52	1.32	0.04
18	C25 H33 O13 N1	556.20245	556.2032	-0.004328569	556.20245	137721	126501	123623	0	102357	103537	68650	161468	115380	235937	87652	0	0	57193	142350	131677	50632	0	184434	308637	255698	183441	126950	134720	133335	140689	63497	72022	163332	127042	134677	130823	124969	106251	278031	147721	135225	87309	58675	206221	95945	76702	3530	333	0	433655	272867	0	120172	133637	130939	131265	100615	522	215437	96517	60771	96262	140089	48843	110032	140281	155933	117712	53005	128044	96060	48511	95687	163113	115606	135729	111986	162051	0	122127	0	97859	91824	90315	80069	232862	82826	107805	111774	84018	83016	62263	70998	47030	94893	133459	170005	89956	176399	1083	145211	148434	100546	69515	77085	118981	78503	140452	260865	89351	96252	0	72250	148148	Lipid	0.52	1.32	0.04
10	C25 H33 O13 N1	556.20245	556.2035	0.233123	556.2026	16876	13215	10886	12666	5394	7937	10394	20284	10014	18359	11685	10222	14081	5719	13329	13950	11522	10896	13456	24241	23179	14811	11900	19645	10204	11032	10819	6013	16405	16250	10234	16550	11905	8642	27278	15414	14317	9168	11062	19038	13014	6306	0	0	0	23191	22789	0	13824	17532	13976	15755	6951	0	14591	9303	3941	14485	12542	8331	16709	9158	10898	10323	4660	8457	9254	11796	0	9382	9667	15474	13024	19201	7897	12753	0	9493	11100	7534	11165	12938	10344	11289	8879	4871	10050	4163	7353	9247	9561	8732	19734	12110	18825	0	9937	16896	6799	7052	7340	16925	7642	24834	0	8619	8834	0	10282	11303	Lipid	0.52	1.32	0.04
26	C25 H33 O13 N1	556.20245	556.2032	0.019109124	556.20245	6424	7475	7194	5389	5400	7010	1861	8160	6764	19750	3533	3673	16735	2157	0	5746	0	16730	7480	19387	22625	6399	5445	6291	0	9062	2268	0	0	0	5200	0	4137	5112	19767	0	4428	4525	0	12122	7214	0	0	0	0	27603	24264	0	4666	0	4553	4879	4785	0	6226	0	0	2811	5484	0	4529	7614	11805	5105	0	4528	3340	0	8397	21572	10994	5692	3378	0	0	3707	0	3975	5452	0	5767	22371	2614	8064	8428	0	4053	0	4114	2405	5864	7398	5386	3950	10279	0	5972	6979	5734	0	0	0	0	7100	20949	4014	4727	0	3029	10746	Lipid	0.52	1.32	0.04
26	C29 H33 O10 N1	556.2177	556.2184	-0.07170883	556.2177	4592	4639	4061	0	4519	4220	0	0	7405	16281	8524	0	0	3909	0	0	0	5894	0	15596	17559	5974	0	0	0	17923	0	9007	0	0	0	0	3404	0	14647	0	2805	0	2610	12942	10844	0	0	0	0	0	8947	0	2702	0	4091	5526	4403	0	7082	0	0	3523	0	0	0	6684	6376	4095	0	4587	6175	3082	25988	24715	28009	0	0	0	0	0	0	0	2161	5905	0	4495	2685	5195	0	0	3194	0	0	2536	0	0	6694	4685	11344	0	6822	0	3525	4916	0	0	0	0	0	0	0	0	0	5419	Phytochemical	0.3448276	1.137931	0.03448276
24	C29 H33 O10 N1	556.2177	556.2184	-0.031543642	556.2177	9503	11805	11431	11645	11344	7762	3435	4615	16286	42270	25325	5253	17261	8505	4506	7546	4542	15622	17160	32594	32790	16244	4588	8099	6959	37264	2579	24752	4571	4154	5530	6933	7463	4626	43378	5428	7609	2707	3811	26995	25350	4539	0	0	0	21062	18432	0	5017	5033	10718	13668	10527	0	13247	9436	5315	7950	7397	3940	5429	17677	15044	10842	3692	18898	10371	4305	36357	57558	56753	5041	4394	3600	0	4705	0	3891	7843	12132	4667	9317	4334	19508	13824	9009	6120	7944	7267	6964	13313	8473	15303	12853	18243	0	15122	12697	10532	8485	11648	6774	2969	9007	9990	7586	9001	0	6252	13053	Phytochemical	0.3448276	1.137931	0.03448276
16	C29 H33 O10 N1	556.2177	556.2185	-0.0214768	556.2177	14859	14086	8877	10413	4155	5397	5737	5788	6681	29339	16763	2319	4650	4286	5249	7217	3325	5933	8663	33163	27743	12422	4300	8421	4677	22010	2655	11115	4870	4058	5738	5864	7723	4559	34502	5961	7234	5844	6839	20115	18426	4987	0	0	0	9232	4515	0	7126	6012	7394	7115	4767	0	10972	3641	3587	6016	4442	4181	0	15031	9130	2521	3967	6382	4535	6595	22945	31104	37930	5735	6420	4071	5943	4758	0	2704	9212	9239	6002	5393	3529	13675	6079	1827	11674	5183	5374	0	8640	9228	0	9499	21643	0	9820	8748	5144	4241	2559	7840	5516	11529	8222	0	2481	0	6092	4537	Phytochemical	0.3448276	1.137931	0.03448276
22	C29 H33 O10 N1	556.2177	556.21844	-0.04857185	556.2177	22098	26989	20657	18801	20211	11087	6113	11316	19448	73459	53650	6786	24785	12912	10199	15302	7949	23617	23032	69051	62347	31080	14678	19899	13500	71763	6114	39532	10792	8557	12037	18199	14335	12639	75639	9759	12637	7514	9645	53305	44091	11116	0	0	0	34800	27537	0	15121	9540	16390	25189	18944	0	19850	18008	11737	16699	12883	5255	19150	32945	25740	14553	7616	20092	17676	8835	57771	88390	86515	15902	8837	7135	6304	10044	0	7357	14030	20725	15438	15427	10863	33408	23834	12222	13558	10061	12353	17038	15654	26161	21124	27027	36811	0	18389	25095	17310	15111	15483	14731	5456	15915	23999	15874	18927	0	12905	25597	Phytochemical	0.3448276	1.137931	0.03448276
26	C26 H37 O12 N1	556.23883	556.23956	-0.02007204	556.23883	8007	7831	7036	10346	6555	6987	2140	11523	10354	23715	3420	3688	18386	4240	6731	11564	0	14245	11348	21449	26263	9194	6522	7610	5735	9012	0	6137	7590	0	5601	6509	8144	6921	24575	8161	9414	4971	2734	13466	4220	0	0	0	0	21662	14071	0	5523	0	8921	7453	5115	0	12530	8205	0	6830	6898	0	8757	6650	15938	5965	5525	9040	5897	3319	9354	25998	13015	9723	7273	0	0	5748	0	4136	4360	0	7012	9469	5733	6753	7335	0	2221	3271	6010	4342	8345	9357	8698	3454	7704	0	9102	10245	5356	6585	8750	6467	3605	11161	7718	5902	7771	0	5134	15274	Lipid	0.46153846	1.4230769	0.038461536
12	C26 H37 O12 N1	556.23883	556.2398	0.15209326	556.23895	17448	13513	13778	9454	8754	5047	15780	30975	7868	15723	6962	12062	8995	3104	13285	14391	14666	10547	14546	22086	21263	13312	19145	17010	18411	8554	8044	0	22746	14569	16601	17057	14989	14994	22217	16009	11193	16357	12698	15871	12932	8970	0	0	0	23904	20267	0	13781	18330	13296	12225	7202	0	14514	5880	7066	17470	22561	13921	0	11098	7879	7032	4642	7903	8173	17978	0	10271	10351	15656	13501	20290	14993	11721	0	10820	14638	25849	14532	12377	13892	11156	8001	7005	12879	6438	8936	20097	12515	9068	27489	7533	11184	0	16460	19925	8405	4175	5141	17048	9786	25692	0	15184	9828	0	14970	12571	Lipid	0.46153846	1.4230769	0.038461536
6	C21 H42 O12 N1 S1 Na1	556.2398	556.24084	0.120753706	556.23987	1469	2000	2640	1394	630	714	1006	1900	824	0	0	1640	1196	0	1342	1344	0	0	0	2281	2420	2236	1975	3064	1160	493	782	0	1295	1773	2220	3298	2505	1736	1856	2324	2286	1221	1975	0	1793	861	0	0	0	1828	0	0	2376	2222	1509	2463	831	0	1265	972	623	1677	0	847	0	0	812	1378	0	1010	0	1681	0	0	0	1932	1396	2645	0	1307	0	1141	896	93779	1543	0	1251	0	638	0	1356	729	950	4226	4243	0	4710	3170	1319	0	2452	2250	486	1084	0	2352	1094	2447	0	1708	611	0	1072	1994	Organosulfur	0.5714286	2.0	0.04761905
26	C30 H37 O9 N1	556.2541	556.2547	-0.0743973	556.2541	8061	8736	6312	9439	7613	0	0	7692	5114	17813	10735	5925	8005	4381	0	0	0	9819	12996	22002	23112	6950	0	9071	0	37064	2159	16768	6592	6742	3987	5362	6500	7146	20433	7694	6515	2846	3409	18186	15158	0	0	0	0	13424	8048	0	4980	0	8057	6778	8176	0	0	7880	0	5849	6396	0	8560	8893	6806	6161	2444	6023	6582	4128	30139	37949	41454	5388	3869	0	0	3395	0	3494	8779	8456	5834	4827	6165	13301	10533	0	6373	3531	5426	5846	5939	8728	15514	6909	8954	0	4385	8268	5436	8740	9241	8328	3573	0	0	6154	6430	0	4385	6890	Phytochemical	0.3	1.2333333	0.03333333
2	C23 H41 O14 N1	556.26	556.26117	0.17251737	556.2601	4997	3740	4974	3110	4497	16546	2413	2782	1685	483	0	2558	4390	2537	3141	3656	7209	6216	9991	0	418	1243	1754	3055	3936	0	2971	0	7034	2330	5102	4424	5992	20166	608	5005	7777	2497	6609	0	0	0	0	0	0	759	398	0	4394	1108	4906	4831	8876	0	2454	906	690	5965	0	0	3329	0	1071	3797	0	9265	3857	9102	0	0	0	14659	9809	2237	891	2879	0	5081	2670	0	2625	0	0	0	3810	2328	4419	19564	10157	3221	2050	1087	5469	0	0	0	5938	4369	1118	656	820	6135	2586	0	274	7869	1131	0	3008	7727	Unclassified	0.6086956	1.7826087	0.04347826
4	C23 H41 O14 N1	556.26	556.2611	0.15607513	556.2601	10485	10920	10854	9365	2454	37681	17000	1793	11820	0	0	22145	14204	3277	11475	1749	14894	38716	46300	0	0	0	6239	1940	8827	0	16146	6764	8478	3020	4043	8098	6340	32060	0	7667	9621	10557	11632	0	0	6619	0	0	0	0	0	0	6882	1233	7706	9404	13271	0	22438	329	24420	2083	0	0	2876	0	1087	44570	17095	51088	9812	29527	0	0	0	20677	13865	2310	5203	5023	0	15662	6097	10326	15997	608	0	0	7501	51802	3767	28660	64736	1102	24103	6394	2485	707	0	0	9980	12283	18305	610	566	10603	15816	0	0	1351	769	0	7517	16952	Unclassified	0.6086956	1.7826087	0.04347826
6	C23 H41 O14 N1	556.26	556.2611	0.33723825	556.2602	3439	3104	5294	4685	0	29184	5530	1412	2064	0	1578	11192	10595	3026	7038	2774	3019	24912	3518	0	0	0	4458	2781	3442	0	4564	9460	3912	2427	2600	3378	2852	14746	0	4364	3945	5775	4273	0	0	2093	0	0	0	0	0	0	3043	1026	6149	5107	1547	0	3579	0	7966	1955	0	0	2131	0	1253	6389	6418	43523	1550	7187	0	0	0	12950	5980	1769	1830	1916	0	7890	3103	19497	5184	0	0	0	2303	3998	0	10215	10224	3184	99972	30793	3990	1990	0	0	3992	5106	915	0	0	3718	9163	0	0	1830	0	0	3547	5518	Unclassified	0.6086956	1.7826087	0.04347826
8	C24 H37 O10 N5	556.2613	556.262	0.34998086	556.26154	1573	0	1254	1339	663	2206	1037	0	0	0	1176	0	1361	0	787	0	0	2224	840	0	0	1012	0	1236	0	0	0	6589	812	0	902	957	1298	1001	0	1305	1184	0	0	0	0	0	0	0	0	0	0	0	1386	1378	1965	2180	0	0	0	0	0	1274	0	0	0	0	0	0	0	5476	0	0	0	0	0	2168	0	795	783	0	0	978	0	17820	0	0	0	0	0	0	947	1502	672	0	95097	27368	1841	2980	0	0	0	1468	0	0	0	1011	0	0	0	1177	0	0	0	1346	Peptide	0.41666666	1.5416666	0.20833333
26	C27 H41 O11 N1	556.2752	556.27594	-0.08803356	556.2752	11191	9624	14621	12389	14570	7950	3864	13984	13020	23248	7038	3070	24905	4583	8701	11072	0	17198	20426	25627	17261	8422	8770	12333	7361	8007	3781	6404	15130	10985	9943	10924	11489	9516	29464	11878	18529	6411	5818	10782	5766	0	0	0	0	15475	0	0	12325	10838	12783	10840	7825	0	23783	10285	3682	9067	8530	3528	10322	6958	20579	12938	3275	13317	5533	4945	5772	25577	14578	9145	11488	8205	7403	7711	0	7529	10028	0	7661	3816	7448	7336	15390	6791	10446	4037	7730	3276	13611	11420	14859	4223	7198	0	10304	10053	6020	8675	7209	10878	5438	10979	0	6572	5712	0	5601	21132	Lipid	0.4074074	1.5185186	0.037037037
16	C27 H41 O11 N1	556.2752	556.27606	-0.066120215	556.2752	24084	25877	23888	20571	10721	9553	23152	43960	12067	17713	11461	22114	18460	6144	32447	46626	29291	16196	29736	31167	19043	12141	30426	39612	23203	14160	21698	13310	36565	48829	34599	35568	31853	30158	24036	38892	34820	22393	22306	19863	9004	17549	0	0	0	19878	17467	0	55264	36940	29782	21646	13824	0	17784	14972	10422	32981	18048	16947	35034	12399	15550	16171	9523	14383	12066	25914	14484	16159	19786	29876	35450	43587	38160	40307	0	25811	26860	10951	20825	11942	19976	10299	16244	15854	27801	8553	15109	0	29383	20184	52544	8392	15832	0	20926	30776	10425	14774	22210	40921	15678	40202	13634	25564	18397	0	25712	14926	Lipid	0.4074074	1.5185186	0.037037037
22	C31 H41 O8 N1	556.29047	556.2912	-0.09119742	556.29047	14582	16359	12256	11947	6524	7208	9363	16488	6444	10275	19087	9440	5137	0	10070	26809	17710	3267	5488	21445	27585	8925	10225	20996	15390	31498	8788	15900	12553	17421	13409	18762	15867	14449	12267	15342	18713	11768	17522	25017	18986	10559	0	0	0	12119	12375	0	14009	17599	13389	11083	7217	0	7418	7511	5619	20611	11206	14935	18472	8418	3812	5865	4687	3626	10273	19143	21853	26687	29713	9110	17327	12982	12589	15337	0	9117	12966	9981	16415	8173	11833	15091	4017	5740	18415	7691	12339	25106	20067	23458	24696	11491	16450	0	8861	16096	4718	5065	6882	24810	13010	18111	9550	19984	6724	0	14064	3168	Lipid	0.2580645	1.3225807	0.032258064
26	C31 H41 O8 N1	556.29047	556.2912	-0.062917985	556.29047	7634	11522	10597	10999	7256	5033	3476	10075	12076	12702	17618	5162	8163	6515	8072	11704	10731	7719	13587	24659	21133	9810	10098	12249	12503	36420	5779	16468	7968	8708	11208	11494	16003	11032	14344	12755	17080	9086	9420	18911	14453	10574	0	0	0	14065	8986	0	12046	11900	11929	10365	8018	0	10480	10525	5357	10292	12313	5640	13928	11814	5249	5302	3391	8266	13247	11976	42221	29749	33983	12062	9516	11710	0	10514	0	6714	10499	7458	6534	7371	8164	16667	10205	0	13789	7126	6719	10757	13288	14735	20806	9212	7845	0	11565	13439	7881	11822	8788	15207	5820	17985	8171	10382	7216	0	10773	4839	Lipid	0.2580645	1.3225807	0.032258064
8	C24 H45 O13 N1	556.2964	556.2969	0.10823956	556.29645	1082	1377	926	952	5200	921	0	0	0	0	0	0	1630	7245	0	0	0	0	0	0	0	0	0	0	0	608	0	4708	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1956	0	0	0	3721	0	0	0	0	0	0	0	0	0	664	0	0	0	0	0	0	0	0	0	0	0	0	14642	0	0	0	0	0	0	0	0	0	0	109925	53481	0	2299	0	0	0	1492	0	0	0	0	0	0	0	0	2396	0	0	0	Lipid	0.5416667	1.875	0.041666668
16	C24 H45 O13 N1	556.2964	556.29724	-0.022015847	556.2963	0	0	0	0	0	0	0	0	0	2795	4481	0	0	0	0	0	0	0	0	0	0	0	0	1752	0	0	3781	20865	0	0	0	0	0	0	0	0	1891	0	1447	0	0	0	0	0	0	0	0	0	0	1228	0	0	0	0	0	0	0	3262	0	0	0	0	2479	0	0	0	0	1447	0	0	0	0	0	0	0	0	0	0	0	35789	0	0	0	0	0	0	0	0	0	0	19315	5521	0	0	0	0	0	2305	0	0	0	0	0	2152	0	0	0	0	0	1633	Lipid	0.5416667	1.875	0.041666668
20	C28 H45 O10 N1	556.31165	556.3124	-0.053764082	556.3116	18541	15796	19661	14215	14864	14257	19747	26869	17417	10210	10019	12543	26668	9694	28871	25333	19719	18639	26675	16585	14691	8888	21009	21639	22609	6532	16485	11843	28641	29091	22761	23836	24086	14639	8582	29209	25849	17809	16273	12927	2547	15859	396	0	0	11880	6438	0	23185	18392	11758	16779	11995	0	30069	21863	9641	23116	17974	7376	27321	6666	15754	19617	14570	11973	15888	18814	7727	9175	6392	13450	18640	32740	24989	22401	0	19257	23835	6488	17880	8311	30092	7263	22050	16074	23947	11333	11394	15782	19375	23968	34255	5206	9069	0	16743	21639	9898	16553	20378	23714	14945	24332	10018	22351	19716	0	18170	18023	Lipid	0.35714287	1.6071428	0.035714287
12	C32 H45 O7 N1	556.3269	556.32745	0.11017149	556.32697	0	0	0	0	0	0	30354	7593	0	0	0	21951	0	0	9360	3191	0	0	0	0	0	0	0	0	0	0	51120	0	0	0	1159	0	0	0	0	0	0	9919	0	0	0	0	0	0	0	0	0	0	0	8562	0	0	0	0	0	0	0	1714	0	0	0	0	0	0	729	0	0	0	0	0	0	0	0	0	1679	0	0	24305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19831	0	0	0	0	0	0	0	Lipid	0.21875	1.40625	0.03125
8	C26 H45 O8 N5	556.3341	556.3354	0.3833183	556.3343	970	0	842	0	928	953	0	0	0	0	0	0	0	1798	0	0	0	0	0	0	0	0	0	0	0	0	0	3762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2895	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40146	0	0	0	0	0	0	0	0	0	0	71022	36293	0	0	0	0	0	2106	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.7307693	0.1923077
10	C26 H45 O8 N5	556.3341	556.3351	0.24187389	556.3342	2231	1561	1023	0	0	1815	0	0	0	0	1559	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38154	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1282	2361	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	158270	0	0	0	0	0	0	0	0	0	0	294749	132698	0	15334	1569	0	0	2190	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.7307693	0.1923077
12	C26 H45 O8 N5	556.3341	556.33496	0.22067426	556.3342	1824	1721	1966	3096	0	4485	0	0	0	0	2953	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29140	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3105	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	190450	0	0	0	0	0	0	0	0	0	0	310295	184021	0	18249	0	0	1562	4136	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.7307693	0.1923077
14	C29 H49 O9 N1	556.348	556.3486	0.13758114	556.3481	0	0	0	0	0	0	3407	1923	0	0	0	0	0	0	0	30892	0	1391	0	0	0	0	0	0	0	0	4507	0	1824	1916	0	48788	0	1480	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3178	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4884	1836	1747	0	1810	0	3292	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1486	0	0	0	0	0	0	0	Lipid	0.31034482	1.6896552	0.03448276
26	C29 H49 O9 N1	556.348	556.3486	-0.03135855	556.34796	4777	3708	4681	6388	9821	6326	29936	8628	7624	3983	2077	0	6092	6237	6844	0	0	9414	16144	0	0	2017	0	0	10118	0	21559	4407	9940	8374	5747	6858	9844	6643	5396	11048	10668	5592	2685	3213	0	6892	0	0	0	0	0	0	7929	0	3371	4923	3509	0	20770	6161	4243	7514	9389	0	4864	0	10778	6846	0	10854	9366	3547	0	2421	0	4775	5968	0	0	8588	0	4935	4076	0	3492	0	14548	4226	5120	0	6622	0	7446	2551	12457	13121	5491	0	0	0	4091	5987	2907	8983	6160	12920	0	7584	7411	8558	4952	0	5837	6270	Lipid	0.31034482	1.6896552	0.03448276
16	C29 H49 O9 N1	556.348	556.34845	-0.08629461	556.34796	4887	3331	5876	5931	4894	0	63946	11645	0	0	0	22818	0	0	0	4577	0	17399	1808	0	0	0	0	0	0	0	120932	0	9384	27852	13831	51200	2647	6084	0	10604	0	0	0	1453	0	0	0	0	0	0	0	0	31864	21618	1466	2757	0	0	0	0	1304	5979	0	3593	0	0	0	0	3635	0	0	0	0	0	0	15554	8794	13744	7698	9542	0	24508	0	0	0	0	0	0	0	0	0	0	2766	0	0	0	0	0	0	0	3629	3206	0	0	0	1897	28750	11226	0	0	0	0	0	0	Lipid	0.31034482	1.6896552	0.03448276
24	C29 H49 O9 N1	556.348	556.3487	-0.031761285	556.34796	6022	6748	7475	6073	8420	5965	35674	9323	5972	3047	1082	1983	6984	6821	9126	7901	6273	9767	16199	3788	2558	0	6005	5718	8943	2321	20701	3326	12369	10180	6996	11151	15356	7041	3980	10393	8245	6830	6070	2412	0	4034	0	0	0	2678	0	0	9043	5797	7421	8377	3778	0	17163	6387	4423	8901	6990	2984	7901	1047	4554	6681	4889	8545	7603	4261	0	2498	0	4297	7489	12367	6158	10118	0	6324	4597	1603	4832	2141	17364	7049	11783	7570	9073	3120	5010	6089	12529	10005	8452	1838	2602	0	5620	6147	2405	6330	8243	16982	3658	8986	4914	7335	7658	0	5891	8372	Lipid	0.31034482	1.6896552	0.03448276
16	C33 H49 O6 N1	556.3633	556.3642	0.10436825	556.36334	0	0	0	0	0	0	0	0	0	0	0	36490	0	0	9457	5302	0	0	0	0	0	0	0	3259	2376	0	0	0	1539	2156	0	0	0	0	0	0	0	5851	0	0	0	0	0	0	0	0	0	0	0	1060	2325	1535	0	0	0	0	0	7305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13616	0	0	37144	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27109	0	0	16520	0	0	0	0	Lipid	0.18181819	1.4848485	0.03030303
26	C30 H53 O8 N1	556.3844	556.3842	-0.12043541	556.38434	0	0	0	0	0	0	41557	0	0	0	0	0	0	2192	0	0	0	0	0	0	0	0	0	0	0	0	25413	0	0	0	0	0	1812	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2162	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4421	3156	0	0	0	0	0	0	1638	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.26666668	1.7666667	0.03333333
14	C27 H24 O13	557.12897	557.1297	0.03870808	557.12897	9195	6331	7781	7922	15574	3563	0	1377	16437	39280	22827	2584	20478	7462	2799	3678	0	8795	12168	17378	17320	29800	5426	0	2073	10270	1857	11624	0	1948	1770	0	2878	1767	60274	0	2815	4336	2331	7224	12843	0	0	0	0	12211	20191	0	2785	0	11855	8420	7000	0	13915	11553	3691	2378	0	0	0	5070	23602	10017	4777	12427	5472	0	0	16943	11033	0	0	0	0	1122	0	2594	10600	0	7730	11091	0	3577	11174	7429	6372	0	3156	4775	4478	3716	3777	27181	21843	0	13189	9626	12740	18556	17022	0	0	1934	0	0	11096	0	2234	17572	Phytochemical	0.4814815	0.8888889	0.0
12	C27 H24 O13	557.12897	557.12994	0.02916905	557.12897	0	3819	2724	5077	3400	1240	0	0	5484	14267	6861	0	4694	2917	1019	0	0	4225	4014	5212	6077	8955	1387	3057	1302	6611	0	0	0	1084	0	0	0	0	20773	0	0	2254	0	0	5651	0	0	0	0	4729	7200	0	1850	0	3439	3632	3083	0	3398	1982	1628	0	0	0	0	0	8592	5055	1442	3767	1141	0	0	5050	6232	0	0	0	2314	0	0	0	2874	0	4354	6549	0	1706	7653	2210	2453	0	0	0	0	0	0	10643	9647	0	3216	3651	5390	8193	8302	0	1176	0	0	1319	4417	0	0	6508	Phytochemical	0.4814815	0.8888889	0.0
20	C27 H24 O13	557.12897	557.12976	0.077979475	557.129	29272	27846	24897	25930	37515	22225	4445	2628	42085	93027	37847	3059	64378	27096	9580	9358	1645	34323	39905	55262	45135	61491	9988	7666	7806	25786	5916	22325	2325	2101	3014	2436	9420	2831	114631	3306	10037	8406	4256	32120	23203	11027	0	0	0	35827	45728	0	4659	2769	23927	20321	19690	299	48398	41148	12261	4872	6306	3698	5969	19912	78157	44812	16569	42840	12731	2476	18277	39989	26860	2464	2294	0	0	2258	0	3263	23274	35085	17513	34310	5083	28738	50771	22385	15787	5341	10779	5901	8388	13924	8689	46134	65062	0	29450	20040	39911	43056	38064	2438	4050	5417	31138	5841	37342	0	5492	58735	Phytochemical	0.4814815	0.8888889	0.0
24	C27 H24 O13	557.12897	557.1297	0.047495607	557.12897	13233	9184	8324	10257	16209	8318	1182	0	23667	41976	13752	1700	27423	9896	4499	1739	0	24298	20670	18719	16424	20082	5291	2813	2893	10998	0	4409	0	0	0	0	3382	0	48282	0	0	2261	0	8754	7683	0	0	0	0	12981	18319	0	1516	0	7894	8266	10071	0	19462	17963	4183	3435	3170	2081	2026	6145	34172	17121	6249	18116	4754	0	7408	14956	12376	0	0	0	2624	958	0	1377	7172	13578	10309	13691	0	5419	27791	13494	8364	4091	3201	2288	4216	5045	3464	28775	31749	0	9761	10654	15143	23202	22655	1533	1043	3073	14388	1890	17953	0	2048	33573	Phytochemical	0.4814815	0.8888889	0.0
16	C27 H24 O13	557.12897	557.1298	0.007685712	557.12897	21934	23948	23574	27350	36173	15795	4590	4509	37670	79469	43931	6139	62866	15590	7652	6173	2163	30352	32000	42696	42769	66104	12558	9195	4909	16381	3769	23169	2486	2880	3939	0	7111	1340	94611	4588	5853	6964	5026	17883	21745	7136	0	0	0	48162	87986	0	6489	3861	12295	24920	15113	0	46384	26184	15043	5164	6407	5241	0	17917	75964	33628	13790	27549	10930	6660	18951	23128	32136	3039	3108	1576	7371	5488	0	2863	20252	30654	13970	37029	3559	16968	36069	18204	15577	9857	11272	0	4991	9398	0	70761	64501	0	23751	20097	34629	36786	25957	6945	5942	7857	65989	0	25947	0	2422	55973	Phytochemical	0.4814815	0.8888889	0.0
26	C27 H24 O13	557.12897	557.12976	0.06671508	557.129	4316	3797	8479	6059	12877	5626	0	0	14862	22560	6819	0	23828	6845	0	0	0	15948	17103	10243	11350	12808	0	0	0	0	0	2858	0	0	0	0	0	0	33760	0	0	0	0	3651	2878	0	0	0	0	7915	8387	0	0	0	5455	6779	4996	0	12671	14907	4077	0	0	0	0	4086	27478	11959	4907	15368	0	0	7109	12574	10500	0	0	0	0	0	0	0	7836	8027	6910	7878	0	5603	19866	8121	6321	0	0	0	2772	4264	0	12962	22245	0	8153	0	9868	11520	13291	0	0	0	6843	1951	7627	0	0	21089	Phytochemical	0.4814815	0.8888889	0.0
22	C27 H24 O13	557.12897	557.12976	0.06580465	557.129	25511	18021	20167	10923	37951	13322	6259	1996	38188	56593	22143	2497	52984	15461	4651	3370	2444	36850	24401	32076	27316	50752	13136	3519	6259	15228	2704	15221	4026	0	1333	0	6716	0	77921	0	5052	3285	2960	22465	11585	5322	0	0	0	55257	73350	0	4128	2451	18834	19439	15662	252	38510	34365	9892	3179	5487	2121	4518	18191	68156	25748	11833	42803	8712	0	16471	29954	19604	3311	1198	1297	2795	0	0	2958	10457	28256	12776	36720	3174	16114	38275	21143	13723	7039	5522	2569	9452	8519	4527	38715	63244	0	16841	17219	24211	34670	30423	1756	4141	2103	38747	3903	26919	0	3469	56107	Phytochemical	0.4814815	0.8888889	0.0
14	C24 H28 O15	557.1501	557.1511	0.34534663	557.15027	25699	20638	18380	16047	18155	13465	8655	11552	25250	31355	13968	9671	35043	4878	16705	14683	7147	26395	31026	35911	27851	51697	14202	12600	6483	0	8657	7456	8604	8483	12159	21038	16005	9808	45720	9306	13097	15777	7815	19781	15170	6995	0	0	0	66984	81501	0	15082	9517	21479	20046	14345	0	29708	17848	8377	17275	17190	6965	0	16465	35845	26495	10102	19483	13114	7086	0	6973	10095	10099	10265	12843	6259	8890	0	13266	15881	31149	11551	52234	7552	7785	19200	11429	15810	8500	12677	6201	11212	12367	16643	50818	37623	0	23688	17784	18224	13471	16313	13528	9431	18182	86202	10705	13644	0	10418	29094	Phytochemical	0.625	1.1666666	0.0
10	C19 H33 O15 S1 Na1	557.15106	557.1521	0.30726016	557.15125	15624	15990	10965	11544	17979	10326	6285	8070	16677	11868	11418	5955	22455	5643	6093	11718	9429	21981	15915	19248	18318	27411	11349	7860	3687	0	5055	0	3801	6903	7236	6906	6642	3807	37464	8103	10710	10878	11382	21816	18132	7890	0	0	0	20802	48567	0	8574	11244	10671	12963	8454	0	26133	14664	6267	0	0	10302	0	7413	27183	16821	10257	22482	7386	9972	0	7773	4539	9036	6672	4935	7498	6483	0	6660	21927	15408	10842	24924	6990	8673	17964	10896	16612	4956	5925	12627	0	9894	6930	30819	25446	0	18333	17784	15264	18444	16464	13566	10713	10581	0	6525	0	0	7530	16278	Organosulfur	0.7894737	1.7368422	0.0
12	C19 H33 O15 S1 Na1	557.15106	557.1515	0.31622747	557.15125	36686	19680	22572	18902	30226	20924	9840	18164	36248	81722	23578	11424	46322	11992	17359	17318	7462	29184	43066	37692	55426	87818	18952	15530	8966	6930	5202	0	11128	14774	12304	16086	24078	13468	89826	12052	18054	18125	16408	40072	55632	20823	0	0	0	87716	139204	0	12244	10534	27584	24216	21065	0	51301	29036	19122	12176	15650	0	0	22690	67042	32006	12840	34804	19312	13380	0	17768	39670	11322	7506	10542	9882	8678	0	16015	31512	0	24996	67444	8612	21726	30702	15604	19410	16216	14154	20680	0	25702	14972	77604	64474	0	23874	35226	18580	34326	22018	15898	14500	16252	93952	9752	22740	0	11922	47974	Organosulfur	0.7894737	1.7368422	0.0
12	C23 H28 O14 N2	557.1613	557.1624	0.3304317	557.1615	9676	6844	5534	6557	6194	4450	5036	6180	4665	5314	0	6418	13018	1625	7274	6209	12354	11092	13662	12169	9773	22142	10221	14939	3666	0	2280	0	6747	4723	5640	6964	9835	8555	13427	7972	8886	7194	7303	7415	10789	4436	0	0	0	12496	16222	0	6667	10151	4983	11277	4727	0	12960	5610	3457	8294	9246	0	0	8551	18810	9744	3244	10625	6037	5597	0	0	3331	4723	7767	4771	5265	6340	0	9769	7767	0	6804	11027	3848	2302	6372	3156	8276	4409	4723	6472	0	7051	17484	12956	10475	0	4785	15496	6251	6167	6088	14040	6779	8177	0	10102	5066	0	3222	13337	Phytochemical	0.6086956	1.2173913	0.08695652
24	C28 H28 O12	557.16534	557.1661	0.0313825	557.16534	21442	20049	17602	19978	29458	12524	4456	5606	28938	80921	27715	2753	53099	13327	7635	3834	2397	34012	33567	35546	44685	29161	8525	8630	6739	37486	3216	21252	4362	2107	2940	3265	6663	3953	85377	2214	5538	6575	2747	23493	20252	6499	0	0	0	23157	26634	0	3396	3814	20555	17684	16577	0	32092	29982	9572	5485	7254	3889	9177	20456	53980	23250	9302	31948	12521	4249	30338	54475	52328	3256	1823	0	3487	1638	0	3657	15660	20109	19684	22000	5935	19173	38423	18019	13879	6840	8953	3632	9401	9769	5418	27064	38335	0	21158	20392	21956	33820	37505	4726	2641	4942	18790	4447	21940	0	6797	46753	Phytochemical	0.42857143	1.0	0.0
26	C28 H28 O12	557.16534	557.166	0.027836677	557.16534	11181	11799	8334	9162	16978	5486	0	0	19600	37092	13969	0	31641	5703	0	0	0	18933	16106	27993	24099	18023	7326	0	0	14359	1560	4827	0	0	3048	0	2153	0	42494	0	2844	2948	0	12603	7771	0	0	0	0	9259	12175	0	0	0	10614	10237	10057	0	16817	20223	6088	2654	0	0	0	8788	31686	12824	4341	15683	5271	0	16356	31186	30696	0	0	0	0	0	0	0	10306	9408	7305	10368	0	8501	21410	8590	7275	2990	4091	2223	3816	6975	0	13683	30103	0	9316	9838	11782	21535	17143	0	0	0	9463	2829	11244	0	3233	30035	Phytochemical	0.42857143	1.0	0.0
22	C28 H28 O12	557.16534	557.1661	-0.012139918	557.16534	35834	39668	33530	34336	56990	27688	7744	10211	54274	131771	61736	5174	79831	22712	16952	18602	7222	60138	56193	80557	79676	55956	20940	15475	12751	70887	7447	43932	10522	5581	12020	8341	13325	5307	155724	8284	16368	13351	6618	51742	33257	13677	0	0	0	53158	49948	0	8852	3894	34868	35468	28966	0	51854	44490	19777	12494	11624	5343	13079	33112	86651	48246	22046	51046	20481	5161	53339	106645	73723	10127	4034	2911	6444	5380	0	9537	31255	27830	28207	50936	12271	42263	57090	29607	30262	11309	18957	10392	17389	24590	16895	55642	65298	0	33622	31957	45454	53071	46381	11315	7659	13534	38770	7157	40273	0	9843	81032	Phytochemical	0.42857143	1.0	0.0
28	C28 H28 O12	557.16534	557.166	0.113344006	557.1654	4961	4529	4035	5340	9680	4404	1266	0	8862	16610	5139	1158	17234	2777	0	0	0	8384	9222	10675	9665	8271	4576	3062	0	8103	0	4643	0	0	1535	0	1733	0	22924	0	2984	1586	0	6090	5602	0	0	0	0	6103	6893	0	2992	0	5338	5058	6006	0	10520	7811	2188	2300	1886	0	2321	4849	15061	7481	2322	11938	4070	0	11438	16200	17311	0	0	0	0	1222	0	1812	3838	5035	3902	4024	1980	4829	9227	5961	7463	1904	2081	1591	2283	6205	2907	6372	12752	0	4397	5681	6199	8142	12870	0	1932	0	3646	2085	8221	0	2117	11830	Phytochemical	0.42857143	1.0	0.0
22	C24 H32 O11 N2 S1	557.17993	557.18115	0.4647761	557.18024	7954	4340	6299	6282	7589	2001	3850	3823	5174	13749	13083	2082	4752	0	5349	3151	1558	6118	8500	7737	16547	9560	4480	2634	3447	18318	1596	12130	2282	2242	0	0	3139	2837	22073	1490	5485	0	4043	13296	11556	2754	0	0	0	10495	8326	0	4312	3457	4962	9427	0	0	3822	5679	1779	2923	14972	7379	6961	6671	6532	4728	2732	5648	2674	4131	20643	16870	25004	4538	0	0	1063	1840	0	3528	6597	5158	8075	12262	1627	10613	6985	3765	5530	5485	2331	6040	0	5326	0	8243	14091	0	5946	4187	3745	4096	2977	4755	2899	6099	85771	3190	6121	0	3331	6028	Organosulfur	0.45833334	1.3333334	0.083333336
16	C25 H32 O14	557.18646	557.1875	0.26646328	557.18665	39576	35291	35006	31982	16058	16475	30305	39360	31604	70338	24906	18247	35443	10500	32732	23894	13218	27566	37769	57350	47667	63811	35775	30666	26525	14279	18809	18170	35411	29432	36800	34434	33931	19323	88685	36645	39961	27539	12348	49444	27337	13235	0	0	0	189002	47865	0	30808	30335	37146	36362	21355	0	42409	22477	16721	28787	40233	12471	25044	35612	37074	26369	12300	25240	21455	12643	14364	20878	18895	34983	35678	32366	13534	35692	0	26692	26922	31086	26879	57751	23082	30583	22975	16764	28166	11807	19074	0	18508	35152	41145	33852	50347	0	38092	33412	18386	16399	12862	31269	20498	37391	69286	34580	17351	0	23493	38311	Phytochemical	0.56	1.28	0.0
18	C25 H32 O14	557.18646	557.1874	0.19891831	557.1866	85556	70615	75136	53868	60293	45207	31782	54340	76948	175534	76232	24164	84261	34869	55211	55032	30474	87520	87430	138734	139102	156055	66182	56000	59243	42222	25434	66941	51968	33395	59563	51563	83402	43387	252662	50347	79379	40702	23378	130939	75670	33289	1972	0	0	173339	95224	0	43285	40011	60929	66149	47012	0	96007	47270	39346	52936	59094	24199	44056	74380	106743	65264	22106	69869	33927	31652	37540	96790	58001	57038	36500	42808	13306	39658	0	43106	51412	72374	36790	103211	44973	83171	68098	38791	60812	31498	43418	37877	71713	78273	72462	70734	152744	0	77919	58579	53310	56793	38047	63267	33319	58474	96583	48215	39735	0	31352	102049	Phytochemical	0.56	1.28	0.0
12	C20 H37 O14 S1 Na1	557.18744	557.18854	0.22500904	557.18756	9331	11568	8577	11449	5908	3319	8518	13437	6693	17717	10626	6344	6055	2782	6544	11033	13699	9570	10816	17421	11651	20703	12380	15674	7749	4653	4901	0	11158	9980	11446	11456	12587	12825	23806	12475	10227	8636	11053	13457	15689	3362	0	0	0	22481	16832	0	10402	10124	13740	10013	7281	0	11119	4010	3483	11763	6519	7967	0	5848	10031	6580	3085	7946	7418	8859	0	6424	7265	8932	7792	10332	10846	11135	0	14741	13141	0	11128	13288	10527	9416	7022	5996	12859	4597	6814	14289	9223	9796	10912	13541	13444	0	14478	12639	4912	5274	8140	14749	7007	14141	0	7304	5818	0	7679	9958	Organosulfur	0.7	1.85	0.0
12	C24 H32 O13 N2	557.1977	557.19855	0.24465597	557.1979	6945	8632	12058	10573	4464	4376	8233	16021	6381	8238	3972	6928	11547	2405	14234	11073	7077	10283	7057	13020	8370	14745	13079	13330	11153	0	6191	0	10481	9737	11328	8278	15568	10074	16866	9350	16368	11435	5853	13183	6286	6070	0	0	0	13684	4153	0	12146	12946	9367	9931	4810	0	13440	4455	3859	12901	14811	0	0	8078	11193	8898	2928	6713	4897	11155	0	2739	1855	12725	10703	11900	5786	8460	0	9284	12910	0	9755	8726	11424	4445	4439	3329	7624	3505	4591	9427	7654	16820	24119	6917	6431	0	11257	11514	3276	3200	5083	13781	7287	17706	0	9988	6600	0	10123	7989	Lipid	0.5416667	1.3333334	0.083333336
16	C24 H32 O13 N2	557.1977	557.19855	0.22683662	557.1978	11549	8964	6855	8071	5234	7106	8113	12777	6310	7039	3912	5525	15537	0	14448	6515	6753	9349	12553	15070	8356	11645	7083	16736	14844	0	4585	0	13043	8050	13892	17285	15728	8783	11273	12117	14407	12152	5329	11725	3449	6882	0	0	0	14053	5075	0	13559	8644	0	9964	4915	0	12071	3143	4257	13516	22285	2272	13928	7329	6056	5619	2929	7195	7573	0	0	4098	0	9412	8700	10760	8276	10362	0	10448	10213	0	8302	7703	7267	7278	3911	3447	8361	4955	5869	0	0	16923	0	6470	6981	0	12261	8612	3766	2703	5112	13529	7470	10823	0	0	4948	0	8904	10244	Lipid	0.5416667	1.3333334	0.083333336
14	C24 H32 O13 N2	557.1977	557.1985	0.19586246	557.1978	10150	14147	14120	13462	3542	4123	12341	18690	12629	14144	3974	6960	10806	2321	18066	11984	5006	8412	11802	14533	11046	24201	13450	15314	12419	0	7582	0	16574	11557	15626	14882	14721	11964	22144	14736	17637	10251	5649	15234	6372	8427	0	0	0	13701	9952	0	12192	15929	12332	8869	7034	0	13323	4963	4450	10744	18999	0	0	9880	9998	11536	5554	6247	8303	5755	0	3937	2642	11794	10447	12134	6350	10127	0	11250	6383	0	11137	6953	11522	9768	5515	0	10997	7277	10513	13194	4502	18280	25687	4321	10295	0	12172	10233	4231	4461	4642	13373	7925	17526	0	12183	5541	0	10588	12147	Lipid	0.5416667	1.3333334	0.083333336
28	C29 H32 O11	557.2017	557.20245	0.02190068	557.2017	7375	7229	7262	7186	12441	6043	1469	3310	13246	22765	9592	1996	21264	5657	4081	3437	0	12195	14196	17714	15694	8692	7340	4431	3468	19228	1872	7179	2360	0	1711	2927	4919	0	23133	0	4837	4132	0	7108	7090	2306	0	0	0	7923	8886	0	4085	0	8627	7635	7687	0	14795	11329	4326	3957	3743	2347	3600	3959	16357	8097	3006	11995	5506	2425	19235	33138	27525	0	0	0	0	0	0	0	7630	6868	5648	3699	1892	6199	14843	6483	10090	2285	3555	2553	5047	5626	5356	8152	13886	0	8270	4886	8649	12528	13699	3385	1533	4718	3451	2656	7954	0	2924	16625	Phytochemical	0.37931034	1.1034483	0.0
14	C29 H32 O11	557.2017	557.2026	-0.050774023	557.2017	14943	13680	10445	10424	9443	6997	8670	12632	7676	27103	17671	8950	8823	7069	9540	14997	12272	9209	10212	16145	20878	15029	5327	12531	8793	21651	7509	13615	8768	10588	9614	0	7812	7126	23675	9382	9755	8739	15174	15557	17392	3445	0	0	0	9187	20876	0	10795	11875	9813	13202	5836	0	11242	5742	3452	11428	7782	11172	0	11853	9757	7008	5053	6959	4275	12863	0	29454	24674	9098	9246	10640	11168	11001	0	8168	14594	0	11534	9039	8923	10599	11635	6052	15785	7056	6936	16015	8524	0	10307	8079	11011	0	9242	9161	8255	11352	7433	9012	7547	11102	0	10511	10513	0	7488	6449	Phytochemical	0.37931034	1.1034483	0.0
16	C29 H32 O11	557.2017	557.2025	-0.038244057	557.2017	37573	42736	37725	36722	25569	16674	19594	25061	34098	77694	50597	20015	37754	17603	20209	30872	16691	23701	35504	68492	58787	32495	22205	32697	18981	70387	22178	40361	23649	21323	25017	31094	32577	17089	88154	23066	27960	17450	22635	44371	52714	13682	719	0	0	32900	30183	0	27498	23108	31544	33354	19230	0	29564	21828	19270	23787	22013	20426	33104	29096	40854	30105	13942	22713	17958	24768	62859	76244	91339	26178	20947	25213	23243	18501	0	18192	35982	22235	32153	30394	21583	37859	31492	17723	27120	16075	19508	39435	16821	21674	0	29496	35158	0	34620	34307	26798	31871	28450	22126	17460	26157	27276	19361	27812	0	23256	27608	Phytochemical	0.37931034	1.1034483	0.0
26	C29 H32 O11	557.2017	557.20245	0.010410101	557.2017	21339	19964	15597	16591	30079	15166	0	0	29416	48727	25758	6396	47938	15065	11184	12778	0	23523	37790	46696	51218	18197	14203	8470	8754	35671	2825	19112	7664	0	5363	0	7672	6523	72866	0	10893	6935	6468	30567	19841	0	0	0	0	24204	21847	0	7934	0	21934	18302	13544	0	30355	25604	10950	10244	5890	3612	12198	17196	41613	21674	6628	29392	10848	6751	45680	76847	68009	6410	5252	0	0	0	0	5341	22340	19261	17476	14671	5296	17251	39172	16318	13049	7411	6320	6314	6943	14459	13695	17689	24840	0	18254	21434	22735	28454	22941	7620	3863	10111	12452	6106	19489	0	7920	35302	Phytochemical	0.37931034	1.1034483	0.0
24	C31 H33 O8 Na1	557.2146	557.2156	-0.40746257	557.21436	5240	4224	5441	3551	4414	0	0	1249	5909	8279	10194	0	3192	2125	2250	2673	0	5043	5146	8475	6797	2036	2311	0	0	18093	1408	9991	3342	1736	0	2586	5334	3294	5998	0	5110	2507	1663	7900	8007	0	0	0	0	5183	4288	0	3071	0	5540	4151	3995	0	5633	3506	3590	5200	1239	4029	2419	5942	2686	4179	1732	2110	3348	1950	19179	16333	22422	3285	4101	1858	0	1429	0	1185	2164	2816	3623	2192	1968	7513	4212	0	5683	2282	3300	5050	3087	2822	5894	2258	2984	0	3908	1900	0	4823	0	1361	0	3655	0	3792	3277	0	4835	0	Phytochemical	0.2580645	1.0645162	0.0
18	C26 H36 O13	557.22284	557.22375	0.18542643	557.22296	28768	24040	28670	33841	15460	18325	21145	38774	17399	58453	23934	17878	23522	10861	36488	31284	10995	28431	26116	50947	40698	30240	21944	29981	39797	11187	18916	14973	43964	29710	36688	41783	32447	38835	85388	31390	41218	26968	15513	38528	13743	16082	385	0	0	38145	16560	0	37740	32553	30508	27496	11623	0	41663	13490	13248	33910	31984	9997	28463	25609	34109	25766	10804	20660	18872	16188	0	0	10598	33265	28366	42306	17101	45248	0	28116	20165	15771	26565	25634	28317	17678	18373	17446	20952	15142	19020	20039	38777	43927	36399	17546	29358	0	32293	27347	15230	11001	14644	33887	22423	31144	20262	27031	12769	0	16628	27988	Lipid	0.5	1.3846154	0.0
16	C22 H45 O12 S1 Na1	557.2602	557.2609	0.06550549	557.26025	5121	5036	3503	4356	0	3079	8353	6353	2892	4292	3385	6138	2502	1880	6284	11534	4966	2819	3864	4660	5061	3477	7372	4384	6249	1449	6807	5097	8897	7738	7654	9178	12328	0	9079	12378	10269	5486	9515	4153	3740	3485	0	0	0	2553	2522	0	10806	7161	3931	7804	3532	0	0	3481	2454	9381	4645	3427	8118	3096	2583	3698	2241	4953	3579	10196	0	2315	0	8643	7251	9380	8186	7469	0	6106	4896	15978	4844	2664	8954	2728	2777	1858	5128	2374	4518	0	132964	33798	0	4563	3997	0	9025	6671	1542	2943	4056	7215	4472	8398	0	0	3156	0	6515	3376	Organosulfur	0.54545456	2.0454545	0.0
18	C31 H40 O9	557.27454	557.27527	-0.028961236	557.2745	24529	32992	26410	26165	15694	9347	30904	31380	18099	21157	18188	21296	11332	10483	24929	31173	51909	10166	19194	38128	16776	24657	24252	28425	26452	31403	29774	22882	30212	24877	24765	37212	30159	29529	25549	27470	30653	27900	46870	22597	24370	12094	0	0	0	19323	16411	0	25614	30664	23778	29183	16009	0	23993	20013	16654	27983	14813	24316	27047	13158	17955	22903	12142	21486	13671	46377	29187	30980	38251	13208	16787	29811	37681	36867	0	14848	40342	14267	31808	17396	22191	16192	20954	19705	40376	11010	16435	42235	26020	24131	34703	13598	20724	0	28161	19895	19409	28356	28181	32956	18922	26564	9969	19883	19830	0	31678	13323	Phytochemical	0.29032257	1.2903225	0.0
6	C32 H44 O6 S1	557.29315	557.2938	-0.12396838	557.2931	751	0	0	617	0	1854	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17015	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	894	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	107512	0	0	0	0	0	0	0	0	0	0	79769	24234	0	7859	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1875	1.375	0.0
8	C32 H44 O6 S1	557.29315	557.2936	-0.2475219	557.29297	0	1357	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13730	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	860	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	76564	0	0	0	0	0	0	0	0	0	0	83769	32188	0	7181	1263	0	1020	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1875	1.375	0.0
4	C32 H44 O6 S1	557.29315	557.2939	-0.1673872	557.293	0	0	0	0	0	1145	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	449	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27029	0	0	0	0	0	0	0	0	0	0	17434	4994	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	616	Organosulfur	0.1875	1.375	0.0
20	C32 H44 O8	557.3109	557.31165	-0.027772797	557.31085	20476	16392	15735	18403	3892	4363	23177	18057	7952	2939	9555	12698	10385	10131	17285	19308	63160	4056	9393	5759	7179	6612	10371	10401	12419	7679	22929	8493	16293	17881	12644	15841	24577	4864	10027	20885	25002	16457	71396	2043	7205	6595	0	0	0	4077	9834	0	13578	16853	12857	15495	8472	0	11533	12624	12985	18716	8126	15683	12660	3642	8462	9064	8686	3790	8376	68217	9395	11358	17890	3660	10047	12483	37003	18053	0	16244	19912	9121	13724	5757	15692	0	14770	11155	25705	5333	6507	25823	13211	11327	19633	4426	4782	0	13827	13321	7315	22418	19642	34022	14857	11825	3797	14342	9957	0	18098	4099	Lipid	0.25	1.375	0.0
6	C33 H48 O5 S1	557.3295	557.3303	-0.105050094	557.32947	763	0	0	0	0	946	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	553	9582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55514	0	0	0	0	0	0	0	0	0	0	40973	7465	0	2830	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15151516	1.4545455	0.0
8	C33 H48 O5 S1	557.3295	557.3303	-0.014011879	557.3295	0	1167	0	1147	0	1447	0	0	0	0	0	0	0	0	641	1249	0	0	0	0	0	0	0	1071	1285	0	695	32832	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	808	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	123375	0	0	0	0	0	0	0	0	0	0	88065	16919	0	6231	0	0	1132	2127	0	0	0	0	0	0	0	0	0	0	896	0	Organosulfur	0.15151516	1.4545455	0.0
24	C33 H48 O7	557.3473	557.34796	-0.074011065	557.3472	10904	12935	13121	13188	6621	5583	22300	11025	14112	2489	11586	8730	7739	7921	9824	15853	37983	4730	20001	5961	2872	3922	10526	9816	14832	8432	17937	10712	14170	14827	10485	18244	13637	7002	4374	18654	11625	15706	29793	4879	6940	9898	0	0	0	3363	5677	0	16001	14497	11753	12438	9665	0	23540	19183	9034	17517	8069	9312	11265	3914	9819	9521	9210	9849	13451	40492	6309	4246	7647	3692	9621	13652	20534	11794	0	9631	17973	12300	10797	5187	15170	7995	20692	12170	24087	5749	8285	31798	15322	19858	13510	7152	6497	0	14787	14934	9867	33362	41949	20382	7482	11039	2692	11118	18586	0	16557	7979	Lipid	0.21212122	1.4545455	0.0
26	C30 H52 O9	557.3684	557.369	-0.30724037	557.3682	0	0	0	0	0	0	2962	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1797	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8236	0	0	2155	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1700	0	0	0	0	0	0	0	0	0	36077	0	0	0	0	0	5120	0	0	0	Lipid	0.3	1.7333333	0.0
16	C22 H23 O16 N1	558.10895	558.11	0.117978245	558.109	12558	10875	12858	17097	57960	18546	0	0	58689	3600	17637	8943	109038	11019	0	0	0	61005	66573	14765	22293	34905	15192	5319	0	0	2955	0	5898	5844	4104	0	6309	0	22503	0	5718	0	0	7737	19104	17454	1458	0	0	99120	162063	0	0	3261	15786	21546	31596	0	67377	70116	27786	0	5313	0	0	14280	191772	51306	16485	42510	17271	3984	11118	1792	1282	0	0	4875	7434	0	0	11901	11265	38079	6450	68331	0	0	87729	25716	0	11967	15870	0	0	0	0	58422	36042	0	19278	23730	52491	51849	86577	0	4293	0	108942	0	62700	0	0	87159	Phytochemical	0.72727275	1.0454545	0.045454547
14	C22 H23 O16 N1	558.10895	558.1099	0.09892482	558.109	5547	4406	3785	1407	12031	3317	0	0	13555	0	3921	2539	37154	2902	2377	2424	2311	17249	12284	2382	6659	8021	3211	2952	0	0	0	0	0	0	0	0	1479	0	5836	1591	0	1458	2221	2082	0	5136	0	0	0	11639	43850	0	0	1946	3447	5528	7064	0	12800	20354	4635	0	0	0	0	5528	30298	10225	6331	14950	4358	0	0	0	2670	0	0	0	2560	0	0	1131	2779	0	3041	10290	0	0	22414	4551	2881	2861	5314	0	0	0	0	20548	7422	0	4714	6519	18948	17664	34419	2228	2014	0	26832	0	20562	0	0	28394	Phytochemical	0.72727275	1.0454545	0.045454547
20	C22 H23 O16 N1	558.10895	558.10986	0.11659952	558.109	5092	4437	1875	2759	10414	5960	0	0	11986	0	2533	1028	19290	4017	2639	0	1254	14006	12826	3238	3245	10840	4045	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1571	0	0	4539	4052	0	0	0	17829	55428	0	0	0	4478	4999	7448	0	17163	14334	2808	0	0	1441	0	4065	14932	8814	4508	7902	4489	1342	1801	0	0	0	0	0	0	0	0	0	2901	9463	1583	18485	0	0	17575	5392	0	1717	3007	2018	3697	2141	2279	14767	0	0	0	6812	8179	9599	11922	0	1584	1335	39694	1714	13308	0	0	13330	Phytochemical	0.72727275	1.0454545	0.045454547
26	C22 H23 O16 N1	558.10895	558.1099	-0.19082017	558.1088	2752	0	0	2124	4647	4644	0	0	5228	2700	0	0	5852	0	0	0	0	6992	0	0	0	7263	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3214	0	0	0	0	14089	47152	0	0	0	0	3080	0	0	4610	6974	0	0	0	0	0	3484	6654	3119	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6391	0	20448	0	0	5804	0	0	0	0	0	0	0	0	8576	0	0	2468	0	5394	2301	0	0	0	0	29195	0	0	0	0	10192	Phytochemical	0.72727275	1.0454545	0.045454547
28	C22 H23 O16 N1	558.10895	558.10974	0.043678913	558.109	3148	2322	2715	2012	4188	4062	0	0	5889	0	2094	984	11027	1957	0	0	0	6353	3545	6022	5842	6793	0	0	0	0	0	0	0	0	0	0	0	0	3662	0	0	0	0	2813	4535	0	0	0	0	16166	47538	0	1043	0	3248	2423	3372	0	5257	4371	1375	0	995	1196	0	5323	10633	5549	2145	4602	1694	0	0	0	0	0	0	0	0	0	0	1152	1664	5671	1483	15498	0	0	4074	0	928	0	1787	0	0	0	0	7242	0	0	3324	5580	3263	2372	2430	0	0	0	32805	0	3683	0	1324	14194	Phytochemical	0.72727275	1.0454545	0.045454547
16	C26 H23 O13 N1	558.1242	558.1252	0.13445021	558.12427	19839	18588	22945	18682	34316	11704	5760	0	31705	84952	31680	3914	45808	6864	4694	11996	4456	24744	31130	60911	54592	82666	6613	4543	0	10728	2220	8334	3660	0	0	0	7258	0	133428	0	11278	3274	0	28712	40504	7665	0	0	0	37220	48998	0	1624	3505	36769	17578	14276	0	39248	31374	13316	5572	3135	4642	0	22874	65110	24686	9888	24778	9194	2816	21458	19291	20398	0	0	0	4600	0	0	3594	13820	36572	6724	27494	3246	18380	38927	11080	11266	8743	4636	0	0	12965	0	85023	86650	0	11010	14920	29014	28601	36312	8210	2776	3251	26156	0	26670	0	3148	48832	Phytochemical	0.5	0.88461536	0.038461536
24	C26 H23 O13 N1	558.1242	558.1249	0.023735665	558.1242	5921	5304	5178	5120	9020	5232	0	1835	10594	21279	4564	1464	14866	3891	3483	0	0	15064	9854	9135	15862	20976	3942	2375	0	2468	0	1450	0	0	0	0	1757	0	14397	0	2321	1662	0	7865	4567	0	0	0	0	10141	19470	0	988	1956	4701	4458	6363	0	12559	6921	3291	0	0	0	0	6049	13277	10067	3454	6918	2372	0	2962	5494	4754	0	0	0	0	0	0	1043	2497	14158	4277	11964	1346	4259	10986	0	3546	2523	2003	1821	2699	0	3100	24482	35349	0	4129	7374	8593	6886	8191	0	1192	1436	11202	0	6255	0	1924	20972	Phytochemical	0.5	0.88461536	0.038461536
26	C26 H23 O13 N1	558.1242	558.12494	-0.06485259	558.1242	3688	5084	4549	4724	5676	3048	0	0	9056	14393	0	0	12759	2255	0	0	0	12169	4996	7467	11234	15931	0	0	0	0	0	0	0	0	0	0	0	0	23214	0	0	0	0	4796	4509	0	0	0	0	8349	10801	0	0	0	4363	3539	2708	0	11708	0	0	0	0	0	0	4517	12978	8144	0	5660	2442	0	6429	4618	5403	0	0	0	0	0	0	0	3425	7780	3196	7933	0	2817	0	0	0	0	0	0	0	2620	0	14917	24752	0	3725	0	4551	5459	0	0	0	0	0	0	0	0	0	13778	Phytochemical	0.5	0.88461536	0.038461536
20	C26 H23 O13 N1	558.1242	558.125	0.087884724	558.12427	28285	22253	27490	21966	38514	19334	4414	1555	43242	96016	24908	3294	68126	8730	10223	10588	0	52018	41656	65366	62402	87250	15430	9772	6628	14478	5542	17732	4242	0	2760	0	11170	4318	111376	0	7898	8483	3868	39690	43322	7814	1422	0	0	53174	66120	0	0	0	17994	28842	20138	0	43070	34002	11064	4852	11040	4650	6322	22578	57714	29464	13908	34224	11083	3200	19360	12130	27864	1802	0	0	3122	0	0	3352	14882	63912	11236	46242	3016	28444	42814	16940	9542	12148	12156	10498	11770	18746	17833	87788	109292	0	39372	23982	36360	28272	37920	8302	0	7172	52992	4198	29124	0	4792	78786	Phytochemical	0.5	0.88461536	0.038461536
14	C26 H23 O13 N1	558.1242	558.1252	0.20450854	558.1243	4758	7540	4095	6520	9564	3556	0	0	7156	22888	10691	0	18247	2980	2129	0	0	12448	5066	10904	14090	21786	1040	0	1312	6056	1527	0	0	0	0	0	2409	0	39891	0	2066	1127	1910	7035	13095	1124	0	0	0	6309	15266	0	1633	0	5923	4035	2347	0	12250	6237	1770	1804	0	0	0	7758	18566	9363	2604	10874	2047	0	0	4494	7304	0	0	0	1394	0	0	0	2925	16417	3289	7548	1268	2948	6865	0	2352	0	0	0	0	0	4238	24503	24027	0	6837	6074	6345	11912	9514	0	0	0	0	1830	4971	0	2251	12519	Phytochemical	0.5	0.88461536	0.038461536
22	C26 H23 O13 N1	558.1242	558.12506	0.13884424	558.12427	15050	14070	16478	19112	20090	18798	3512	4030	26566	76749	22726	2198	46832	0	2990	3940	3122	39592	24840	37492	39596	74778	9208	0	4338	6328	3398	7108	3540	0	0	0	4602	3918	76846	1825	3876	7204	2868	26642	14560	7328	0	0	0	51005	55924	0	0	0	13992	10604	17026	0	28128	27270	10986	3968	4658	3334	6182	22576	53048	37844	12458	27732	10904	0	9264	17018	16448	0	0	0	2210	0	0	3930	13782	37204	9558	32426	0	10792	33096	14108	14192	5402	0	6834	0	0	10942	59380	96872	0	16842	18344	20832	22040	18308	0	2354	7594	40194	1736	21524	0	0	37442	Phytochemical	0.5	0.88461536	0.038461536
14	C23 H27 O15 N1	558.1453	558.14624	0.10295667	558.1454	33451	29847	29313	28938	30726	26957	10158	23676	51660	26645	25738	17971	89475	19346	24196	19567	20008	66852	64166	42368	73562	73632	33884	19243	8499	7710	11038	7760	14644	15561	16202	13062	20729	9798	45742	14384	18935	20737	13759	25721	42207	22169	0	0	0	121414	235393	0	10539	18257	27919	29060	29532	293	86536	44326	20983	12577	22016	12107	26358	42756	66510	51525	25844	37700	24164	15263	18716	6293	19028	17187	11907	15448	15187	12554	0	15609	22778	63549	17436	85422	6592	9512	52851	23464	16397	19029	20826	11433	5009	13359	21910	85054	66510	0	27134	41829	43839	33387	50155	24457	17269	22878	248649	16985	45525	0	6125	57968	Phytochemical	0.65217394	1.173913	0.04347826
28	C23 H27 O15 N1	558.1453	558.1462	0.05885558	558.1454	4853	4814	4446	4914	4805	4726	0	3313	4572	7874	2624	1121	5601	0	0	0	0	8675	4779	16900	16244	9461	2023	0	0	0	0	0	1913	0	0	1275	2295	1796	9847	0	1533	0	1671	9036	8759	0	0	0	0	47074	61841	0	1816	0	4078	4512	4556	0	3612	3215	1234	1637	1791	0	0	10708	5264	2366	1131	3715	2849	933	5282	7100	6369	1522	1487	2956	0	1699	0	1065	1594	5997	0	31328	0	2898	3145	0	1628	0	1843	0	0	2644	2691	8052	9549	0	3816	6285	4678	1675	2261	3271	1114	0	54536	2804	3505	0	0	4867	Phytochemical	0.65217394	1.173913	0.04347826
16	C23 H27 O15 N1	558.1453	558.14624	0.100918196	558.1454	40246	31798	36177	34441	43474	28956	12152	24144	62674	29182	19092	12875	94124	14687	25247	16851	16384	87390	66547	52311	66003	76128	44709	20139	9870	7492	11709	11704	14838	13414	17050	9728	20786	16900	50424	17689	23468	21728	12120	37296	33732	24770	1535	0	0	171512	269629	0	11961	15243	39535	36579	30549	0	71545	52919	21092	14665	25971	14637	24752	40040	79498	53618	21613	43569	30487	12265	22286	21116	11988	13803	14821	12419	10335	11187	0	16663	22180	77871	17951	150719	7278	12712	64678	27422	15574	19598	24102	0	7050	19703	0	75556	68110	0	32006	45626	43764	28773	50071	28432	17827	16445	226188	18547	53132	0	7505	77841	Phytochemical	0.65217394	1.173913	0.04347826
10	C23 H27 O15 N1	558.1453	558.14636	0.19233386	558.14545	9315	10373	7339	7490	12177	6391	2416	7247	16766	9512	7870	6238	22034	2710	7294	6577	7586	13944	15835	13645	18393	21053	7437	6209	1102	1480	2619	0	4942	4564	3889	4409	6800	4906	12414	5067	6503	5037	6445	6945	13690	7473	0	0	0	24836	55042	0	3962	6135	7917	9905	8339	0	18224	15695	5392	4008	2401	5705	0	10565	26631	15040	4723	12631	7024	5285	0	3628	2589	5632	4910	2302	5764	4022	0	3944	7639	13126	6893	15100	2649	2009	20901	9930	7788	5108	6055	6456	0	3393	7530	23527	19761	0	10664	11103	13836	14724	18003	6850	4137	8954	44813	6552	15781	0	1716	19311	Phytochemical	0.65217394	1.173913	0.04347826
8	C23 H27 O15 N1	558.1453	558.14655	0.34545654	558.14557	8813	13066	5830	6070	13196	3212	3728	3784	14643	5806	5470	6602	28684	0	730	6076	8106	13228	15483	4110	19440	18166	10763	5340	0	0	1808	0	2679	2511	1932	3213	6516	5931	10246	1862	6870	2442	7917	0	13064	7435	0	0	0	9976	28990	0	2268	3156	4286	5642	7627	0	20243	16698	7452	2132	0	4476	0	3290	33929	16848	5142	23480	3582	6696	0	0	0	6199	3366	5582	5128	2716	0	1286	11956	5008	6945	6838	1484	0	17526	0	7751	6962	6689	18378	0	0	16490	6772	3826	0	4562	6796	10818	17780	14070	3462	4256	0	15910	0	11776	0	1484	23473	Phytochemical	0.65217394	1.173913	0.04347826
26	C23 H27 O15 N1	558.1453	558.14606	0.022427028	558.1454	5118	5870	4940	3484	4820	5307	0	0	5508	7752	0	3062	8227	2159	0	0	0	10070	0	0	14092	10519	0	0	0	0	0	0	0	0	0	0	0	0	7469	0	2619	2759	0	8735	7473	0	0	0	0	49326	86264	0	0	0	4475	3591	3377	0	6568	0	0	0	0	0	0	10314	4665	2760	0	3469	3320	0	0	0	3535	0	0	0	0	0	0	0	0	7041	0	47367	0	0	6558	0	0	2403	2744	0	1943	2968	0	5618	10974	0	4072	0	7837	2603	0	0	0	0	58520	0	0	0	0	6993	Phytochemical	0.65217394	1.173913	0.04347826
18	C27 H27 O12 N1	558.1606	558.16144	0.024637476	558.16064	24518	20925	17506	22291	16924	7762	3429	4787	24013	108368	38951	2580	37374	16138	6625	6471	2497	26070	26867	71335	60455	52143	8861	10771	7335	43202	4759	24675	5874	3347	3906	0	8134	0	120475	5106	8120	5900	4703	48768	31286	4339	1079	0	0	38647	37024	0	5907	6109	18019	23018	16137	0	34979	23515	14716	6485	9978	3408	8768	36096	34148	25348	7551	23610	14757	4751	30197	49951	40223	3664	3051	1504	2815	0	0	4670	13706	29495	8112	27498	7319	31309	19028	15163	9333	7835	11255	6869	20496	21294	17739	50776	68214	0	20756	21702	19092	16891	18098	7132	4754	10351	30074	7864	20376	0	6311	33780	Phytochemical	0.44444445	1.0	0.037037037
14	C27 H27 O12 N1	558.1606	558.1615	0.068741746	558.16064	7716	9420	8226	10510	6058	7031	0	0	11994	50596	25832	0	13227	5039	1862	3611	3576	9227	7225	29201	23063	25024	3090	5493	1762	16097	2109	14765	1914	4615	1795	0	4284	2082	60388	0	4508	2282	2280	18934	20557	2076	0	0	0	20478	31583	0	4906	2654	5818	8064	2569	0	11396	10579	4160	8530	5548	0	0	15766	17293	9023	4309	13979	6182	4186	19888	22596	20654	0	2284	1333	1441	2045	0	2091	4676	21577	4138	13982	3309	7970	9780	6387	8075	2296	3424	0	4722	7049	8798	20657	30238	0	11938	9695	8989	13306	10785	7107	2628	3083	0	3670	6475	0	2634	14133	Phytochemical	0.44444445	1.0	0.037037037
24	C27 H27 O12 N1	558.1606	558.1613	0.02696446	558.16064	6947	4761	5983	6596	8668	5573	1670	0	14172	35565	12586	1565	16633	3329	0	2683	0	9648	8021	15756	22947	16797	3763	1420	0	8723	0	8242	0	0	1952	1557	0	0	39910	0	1264	1675	1976	12969	6619	0	0	0	0	18821	17246	0	1533	1295	6236	6708	6718	0	10657	7403	3642	0	2536	1581	2654	9728	13546	8856	2144	8761	5645	0	10941	18367	15649	1685	1188	0	0	2220	0	0	5133	10358	3012	11395	1472	8733	12583	3979	4680	1572	2809	0	3034	3379	2344	19356	32114	0	5135	9665	9196	6357	6071	2544	0	4805	14116	2001	8716	0	2816	16874	Phytochemical	0.44444445	1.0	0.037037037
26	C27 H27 O12 N1	558.1606	558.1613	0.02222507	558.16064	2275	5044	4541	4256	7583	4306	0	0	7311	15393	5848	0	8241	2209	0	0	0	6502	6805	11637	12053	11433	0	0	0	7417	0	2315	0	0	0	0	0	0	20280	0	3579	0	0	7843	6267	0	0	0	0	8789	10850	0	0	0	4985	3891	3688	0	7254	0	0	2158	0	0	0	5985	7908	5397	0	7112	0	0	7462	11244	11138	0	0	0	0	0	0	0	2538	5064	0	6786	0	3480	0	0	2091	2610	0	0	2442	2720	0	9739	14852	0	4385	0	4299	5194	0	0	0	0	0	0	0	0	0	9743	Phytochemical	0.44444445	1.0	0.037037037
22	C27 H27 O12 N1	558.1606	558.1614	0.021459555	558.1606	24928	28302	21838	23698	33502	29937	5098	8318	42914	117371	56910	7868	54584	18110	9546	15936	0	50224	30080	75754	85105	62372	13590	11020	12829	36388	2932	30386	4936	2906	4564	0	7664	6338	135520	6665	10732	9556	8543	51148	40520	11334	0	0	0	73758	78528	0	9079	9442	30190	21478	15010	0	45912	32250	16344	6766	14340	3578	15684	44822	59316	39820	13296	33384	13978	0	48780	64678	50338	7965	0	1593	5205	1806	0	0	17278	52388	12546	56436	8406	32802	41398	21530	13230	7794	12962	13097	23109	23931	26901	64814	102718	0	21994	27790	25746	27516	35168	8817	0	12783	50604	11206	29334	0	9474	63305	Phytochemical	0.44444445	1.0	0.037037037
12	C27 H27 O12 N1	558.1606	558.16144	0.041047495	558.16064	3495	3948	3802	6039	4116	1523	0	0	3383	22948	9231	1215	5810	2540	2380	2839	0	4448	6095	17472	15403	12207	0	0	2000	7655	1668	0	0	0	1097	2039	0	2135	41769	0	1675	1484	0	11956	9668	1499	0	0	0	7251	8377	0	1771	0	3881	5193	2788	0	5984	5055	1628	0	0	0	0	6696	12480	3764	2247	8033	2484	0	18512	9748	12105	1553	0	1269	0	0	0	1612	5113	0	3159	7543	1396	4549	3884	1446	2257	1273	1014	0	0	4308	3328	11922	11671	0	5399	4811	3775	5803	6337	0	1188	0	0	2578	5221	0	1603	6852	Phytochemical	0.44444445	1.0	0.037037037
10	C24 H31 O14 N1	558.1817	558.1828	0.24224618	558.1819	15575	12880	11198	12320	10818	6936	9719	16295	13850	25193	10405	9406	17930	3809	12633	13003	11706	16038	19723	22810	25334	22091	14617	16053	6286	3855	8004	4614	10667	12525	11984	10886	13433	10408	23984	14681	14225	9333	12451	17298	17876	11160	0	0	0	32948	59238	0	13387	16650	15507	19280	5927	0	15888	11310	7299	12916	10720	14236	25289	12449	15396	9412	5506	14048	8037	8528	7342	4828	13158	10617	11218	15412	11300	10857	0	7783	11721	12403	11174	20559	7971	8253	13878	9147	9812	8203	7332	10845	6788	8064	19546	14803	18753	0	13436	16684	9666	10004	11567	16148	9258	13319	32031	10779	9332	0	7265	14254	Phytochemical	0.5833333	1.2916666	0.041666668
28	C24 H31 O14 N1	558.1817	558.1825	0.22968633	558.1819	5142	4948	3464	2207	2755	3951	1392	0	2473	12824	2342	1155	4428	1657	2373	2719	0	4057	3591	12863	18319	5808	0	3501	0	2962	1120	0	2828	2112	1575	1950	1717	3422	12560	0	3053	1639	2181	8935	3067	0	0	0	0	29467	30203	0	3349	0	4389	3724	1453	0	1883	0	1607	3440	2201	1282	2639	6401	4217	2501	1950	2838	1507	999	4367	12372	7950	2887	1463	2685	0	1328	0	1872	1414	3922	1863	18406	1557	5889	2778	0	1524	2118	1633	1746	2454	2763	1886	2921	6595	0	5177	3980	4296	1272	1798	2002	1176	2878	21254	1349	2429	0	848	3718	Phytochemical	0.5833333	1.2916666	0.041666668
8	C24 H31 O14 N1	558.1817	558.1828	0.31355658	558.1819	10530	14779	12190	12776	5218	5512	6762	10576	8612	15202	12286	8738	15468	2558	4856	12234	9954	6800	11600	13520	19148	20152	9930	15482	4462	3782	7320	3326	6970	11319	8652	10114	13398	5558	21002	5638	10544	5762	17020	9718	15588	7982	0	0	0	15854	29416	0	7792	10042	10100	7942	5896	0	15256	5684	3608	5574	4388	8742	15260	7058	10056	9616	6304	6942	5008	8506	0	5234	7428	13020	8296	8318	9151	7632	0	6742	12172	0	7752	11548	3722	4874	12896	0	7136	5868	6196	11608	0	0	14370	8964	7454	0	7450	14714	6354	9786	11180	9608	7944	8198	0	7824	10386	0	6310	11856	Phytochemical	0.5833333	1.2916666	0.041666668
12	C24 H31 O14 N1	558.1817	558.1826	0.064648025	558.18176	30359	31600	30761	32073	21622	16363	22817	51765	27347	49518	26051	27780	37683	10230	28131	27579	31777	42366	53091	57351	60707	53290	37333	38168	13214	15115	19579	0	30676	28765	27415	25936	36683	24353	65448	35543	25977	27627	27566	34589	44467	22109	703	0	0	115823	151538	0	24694	41103	31470	30115	20083	0	45693	25531	16886	20313	39823	26121	18031	36478	47692	26002	11713	26743	19118	28499	24228	23741	24306	27074	30086	35966	19936	19388	0	25647	27978	59910	21025	68441	17568	24797	33667	20876	25173	14150	17876	23380	12988	28682	33511	35606	48501	0	31816	43552	35211	19598	27767	42555	22643	40642	156922	21602	33224	0	16148	34443	Phytochemical	0.5833333	1.2916666	0.041666668
26	C24 H31 O14 N1	558.1817	558.1824	0.020458637	558.18176	4889	5789	7479	5800	2408	3472	0	0	4586	13154	0	0	7930	0	0	0	0	8226	8282	13934	13954	7437	0	0	0	0	0	2372	0	0	0	0	2667	2549	12352	0	3125	3002	0	8586	4380	0	0	0	0	36830	41975	0	2716	0	5842	5397	2653	0	4662	0	3344	1720	0	0	0	7516	4384	2154	0	2561	0	0	0	11284	0	3259	3465	7533	0	0	0	0	0	0	0	23150	0	5974	5690	0	1956	0	0	0	2313	3258	5687	4383	9336	0	5021	0	3588	0	0	0	0	0	32909	3363	0	0	0	4320	Phytochemical	0.5833333	1.2916666	0.041666668
22	C24 H31 O14 N1	558.1817	558.1825	0.07373989	558.18176	47346	51628	51668	55892	49928	44902	14002	51146	58384	77928	25426	27126	67568	17050	37274	32286	22126	52960	54094	104824	93462	82226	46614	44712	36850	42352	11474	15166	38994	34330	30664	37686	33332	32074	59654	32250	40384	33426	16328	66000	42152	22954	0	0	0	313716	234730	0	35746	36052	42116	48970	41564	0	62282	41622	20272	29964	52440	17896	36002	64672	47850	43250	20204	41662	15582	17122	36804	82240	39166	28990	33456	50002	18308	23134	548	38936	19428	40042	33320	204020	13270	29980	40578	27892	22860	18230	28564	15358	26558	41602	49500	43986	75398	0	48532	63516	51820	14956	22806	36094	29690	32236	283584	29590	41602	0	23802	69984	Phytochemical	0.5833333	1.2916666	0.041666668
26	C28 H31 O11 N1	558.19696	558.19775	0.06609146	558.197	4996	4065	4153	5734	4226	5066	0	0	8343	21826	7429	0	10113	3546	0	0	0	6302	9014	8373	10626	9122	0	0	0	12477	0	3903	0	0	0	0	0	0	24574	0	3058	0	2824	8962	8100	0	0	0	0	0	11289	0	0	0	7037	4024	3975	0	6684	6290	3747	0	0	0	0	7013	16031	7242	0	7220	5440	0	14129	23643	25277	0	0	0	0	0	0	0	4007	0	3839	5132	0	7028	6993	0	3301	2865	0	0	0	1898	5356	6625	11982	0	4238	0	4206	4288	0	0	0	0	5716	2055	0	0	0	9082	Phytochemical	0.39285713	1.1071428	0.035714287
22	C28 H31 O11 N1	558.19696	558.1977	-0.006550601	558.19696	20848	24984	24316	24269	24556	14582	8081	10929	25098	93551	54627	4185	32653	15699	10737	8416	7712	37441	24952	83436	66432	47799	13167	15991	14036	58033	4716	39131	10174	7908	7458	6786	17057	13032	98229	14466	14092	9054	4649	48083	27653	11863	0	0	0	43866	39305	0	10078	11742	22195	22679	17721	0	28126	20106	10711	14585	19183	10710	17299	32475	39989	19758	11758	26369	10419	7138	42935	80992	57071	7595	3273	5968	7359	5996	0	5969	15027	22565	12542	31857	7370	28705	26591	17963	15773	14814	12190	11172	19715	33098	23821	28407	45535	0	21421	23373	22444	20302	18899	12342	6001	20386	29069	15529	18789	0	12434	37957	Phytochemical	0.39285713	1.1071428	0.035714287
10	C27 H31 O10 N3	558.2082	558.2091	0.058196038	558.20825	9580	7098	8240	11614	5389	2911	5197	9302	4648	15001	6385	5186	7060	2611	6092	9822	4107	2259	5396	17518	14467	20624	4913	16540	7824	4438	8425	3345	8465	5338	7084	6898	9720	7353	18417	7367	8618	6540	4302	15257	10126	4368	0	0	0	8152	10749	0	11185	6964	7716	4899	4452	0	7909	3573	2412	8288	5466	5662	0	7392	5191	3870	2446	6076	4141	7581	0	7310	5001	6294	5979	7257	5057	0	0	3966	11568	5599	5975	4365	6548	9970	3067	3396	11059	5425	3486	12416	11812	10081	23426	6408	10895	0	9657	8620	3581	5510	5508	7315	5006	8588	0	9396	2133	0	7740	4611	Phytochemical	0.37037036	1.1481482	0.11111111
14	C25 H35 O13 N1	558.21814	558.21893	-0.004581037	558.21814	49063	47236	50325	48170	32715	32696	38339	79443	38371	77562	40670	33568	46456	15195	63619	66713	52892	48955	64452	98189	95960	62004	64631	82084	55093	40691	35458	29147	71099	70667	48435	65725	49595	47385	89742	67965	51717	38186	40427	65128	43373	35225	0	0	0	131222	102998	0	45857	73427	46289	48966	28433	0	60948	34932	19895	60624	78474	46740	118510	50700	42446	33509	21052	26417	31584	33521	43443	45739	35757	53557	47817	73288	39451	53920	0	44044	46335	36582	41277	63192	43618	43316	45806	33320	39000	25558	32206	42100	39130	40911	72553	41906	58693	0	47082	65816	30951	26095	30862	59485	36965	79611	112754	35911	36768	0	36043	35328	Lipid	0.52	1.4	0.04
26	C29 H35 O10 N1	558.2334	558.234	-0.05484245	558.23334	8268	7719	8346	8137	10652	3295	0	0	12720	23543	12973	0	16482	3756	0	0	0	9764	8288	21220	28535	8384	0	0	0	25384	0	15186	0	0	5021	0	7866	4728	25103	0	6175	3608	0	15246	17046	6597	0	0	0	9181	11540	0	3772	0	8155	8199	9471	0	7045	7081	0	5352	3190	0	6268	9494	11191	7007	0	9339	3862	4137	30821	35086	47169	5240	0	0	0	3308	0	0	6175	0	8171	6991	3709	15566	12553	0	4550	5100	4783	3435	4767	5891	7795	4781	10976	0	7631	6383	6255	5900	8154	6697	0	0	5861	4165	6021	0	4718	9641	Phytochemical	0.3448276	1.2068965	0.03448276
24	C29 H35 O10 N1	558.2334	558.2341	-0.057765756	558.23334	21662	18355	23059	19252	19538	12665	3742	15005	20930	63897	37037	5252	34224	10859	10473	13871	10113	25809	27952	50516	55887	21878	14590	15725	9928	60018	6059	35273	14398	11829	10666	11167	14381	12740	68234	12680	17772	8316	10012	45005	29308	9869	0	0	0	28943	29411	0	12779	10052	22155	19599	14220	0	24039	20879	11211	13498	15163	5064	19089	31793	29250	16460	7755	26261	15695	9021	58283	155518	74406	11323	10614	11030	7570	10253	0	9938	18193	13120	13271	17588	8473	35520	23113	11400	13098	10106	10218	12100	15819	20849	22184	17981	31654	0	24475	21080	13831	19835	17144	12999	5598	16923	19524	15697	17488	0	9907	27708	Phytochemical	0.3448276	1.2068965	0.03448276
14	C29 H35 O10 N1	558.2334	558.23425	0.07235887	558.2334	5336	8748	8909	9226	3314	4410	3165	9765	3406	21163	8460	2494	3064	2157	4531	6173	5618	5497	5722	18204	23154	8691	5164	5914	6286	15509	3496	7302	7077	7027	4118	0	6060	4239	26019	5669	4884	3142	5838	16236	11367	2525	0	0	0	11893	7067	0	5890	6586	8304	7710	3165	0	3545	2146	3358	7052	0	0	0	9267	5143	3452	1939	2943	6361	10406	15300	20800	18486	6390	3479	3437	2880	3948	0	3331	5914	0	4596	4453	3955	12121	2814	2599	7916	4822	4516	15358	8259	7927	11401	7761	9319	0	7552	8027	3893	2804	3440	7504	2798	9513	0	10041	2872	0	5095	3947	Phytochemical	0.3448276	1.2068965	0.03448276
18	C29 H35 O10 N1	558.2334	558.23413	-0.032843053	558.23334	30792	24595	21153	24788	15307	12635	18104	25344	15148	54567	36522	13099	27041	18795	16610	31793	13555	18160	28964	63081	58623	36983	20039	30211	19036	56615	12227	34801	30502	18749	22349	21067	24629	26322	57936	23050	25874	19247	19579	51397	40022	14801	673	0	0	31016	21255	0	23811	26556	26399	28629	14150	0	17101	15093	12763	23174	19623	15030	28193	31464	28642	19389	11213	17238	15399	22496	45079	75362	64672	15856	15802	17042	20709	18909	0	18100	23644	19081	14319	22620	17681	31501	20412	11633	21947	18844	20317	40542	27132	31394	42096	21343	34541	0	27112	26891	12681	14381	15774	30970	10219	29189	12737	24637	15588	0	21344	17249	Phytochemical	0.3448276	1.2068965	0.03448276
10	C28 H35 O9 N3	558.2446	558.2456	0.19938892	558.2447	7038	5002	8068	9560	2356	4520	6992	6568	2302	8334	5618	3516	4146	0	7912	8164	7138	4020	4398	11608	11546	15048	5410	13356	10308	0	0	0	6628	5310	8616	7302	11802	6646	15020	7392	19060	5692	3626	10894	3686	6306	0	0	0	10482	3952	0	8296	6974	6908	4768	2214	0	4786	2154	0	12154	0	3120	0	6928	0	3472	0	2136	5314	6302	0	10006	9922	8682	7284	5812	4376	5658	0	3768	7126	0	7480	2906	6022	5268	0	4744	4968	2468	5950	10308	11390	6872	20716	4528	8346	0	0	7170	0	2596	0	8886	5718	9952	0	10632	0	0	9506	0	Phytochemical	0.32142857	1.25	0.10714286
14	C26 H39 O12 N1	558.2545	558.2554	0.02556573	558.2545	18143	15759	13660	14711	8726	10715	16558	31622	9717	15711	9975	14582	12116	3290	25893	28951	22835	15158	20516	27722	20282	9275	18441	31716	25491	9224	15126	0	20914	27601	20520	20228	25123	17904	16218	26268	19278	19040	14763	12007	13208	11388	0	0	0	20695	13740	0	21328	22524	14958	13742	10353	0	20168	11496	9000	26795	25517	19657	39790	10568	10894	11062	6736	7523	7425	14714	0	13219	8236	16028	19545	30768	24606	22114	0	15205	19380	0	10913	10885	12878	12268	13085	9461	17306	9493	10624	18833	20380	21450	24670	8866	16465	0	16043	20524	8708	8117	14198	29852	11892	32845	0	16750	11391	0	15176	11413	Lipid	0.46153846	1.5	0.038461536
18	C30 H39 O9 N1	558.2698	558.2705	-0.049952775	558.2697	12602	10835	11766	14502	5721	5074	11428	14017	6319	10627	11776	8941	4739	4170	6691	16698	11313	6374	6754	29097	18952	18702	10228	19772	10823	19399	7107	14316	11823	9661	12842	13372	13357	11571	14074	14625	15488	7827	12213	18452	19504	9859	0	0	0	11131	10703	0	16389	14672	15111	13867	6522	0	7929	4093	5526	12754	7682	9209	14393	11127	4208	3290	2686	6198	8294	15271	17761	25300	20246	9288	11662	11962	11821	7857	0	7341	10984	12765	12070	5198	8099	12671	4081	6106	11124	7968	7958	25254	17757	11870	29163	9504	13548	0	12349	16167	3126	3666	5012	17358	7607	16288	7970	14461	5343	0	12463	6514	Phytochemical	0.3	1.3	0.03333333
4	C24 H39 O10 N5	558.277	558.27795	0.33805335	558.27716	0	719	945	557	0	1199	606	0	0	0	0	0	0	0	0	410	807	0	0	0	0	0	0	390	258	0	0	9486	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	771	446	0	0	0	0	0	382	0	0	722	0	0	0	0	312	0	0	0	0	0	0	0	0	0	0	0	0	0	23286	0	0	0	0	0	0	0	0	0	666	46779	14318	526	1346	0	0	558	0	0	0	0	0	0	0	0	511	0	0	0	0	Peptide	0.41666666	1.625	0.20833333
10	C24 H39 O10 N5	558.277	558.27747	0.15210137	558.27704	1980	2783	2651	1708	0	0	0	0	0	0	4435	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	60988	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4549	3217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59307	0	0	0	0	0	0	890	0	0	0	427780	182160	0	10409	2070	0	2030	3675	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.625	0.20833333
8	C24 H39 O10 N5	558.277	558.27747	0.15650067	558.27704	5143	5258	5788	6400	0	1656	0	0	0	1310	10844	0	0	0	0	0	0	0	0	0	0	0	0	1102	0	0	0	125922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7289	6082	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	147631	0	0	0	0	0	0	0	0	0	0	794855	300705	0	26975	7551	0	7281	9219	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.625	0.20833333
6	C24 H39 O10 N5	558.277	558.2781	0.17173082	558.27704	3833	4912	3547	3311	0	4036	0	0	0	1036	5233	0	0	0	528	0	0	0	0	0	0	759	797	0	910	0	0	73235	1255	0	0	0	0	0	0	0	779	0	0	0	0	642	0	0	0	0	0	0	0	0	4119	3758	0	0	0	0	0	997	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	616	0	0	471	125755	0	0	0	0	0	0	0	0	0	0	365697	133783	0	18459	5432	0	4118	4315	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.625	0.20833333
24	C27 H43 O11 N1	558.2909	558.2915	-0.08034412	558.29083	22507	19735	21295	21181	15161	19787	11991	23356	31970	39260	4939	9058	36494	13091	24330	16282	5564	39963	46078	38247	24766	19380	20512	27178	25674	7135	6848	10245	29998	18353	25113	23454	29781	17342	56419	23771	46176	17015	4370	19748	1901	11676	0	0	0	20198	2107	0	23307	19964	18248	22198	16908	0	48019	21342	9457	24048	29494	2701	23381	10494	37471	24988	6412	25957	17044	5305	0	19831	5224	22365	17470	25293	6575	14112	0	20156	12021	2416	9962	9020	16942	10453	18183	13987	10770	5925	16862	5825	29275	44769	30370	5415	16260	0	20405	24120	9452	10998	16498	20849	8220	24393	13542	23483	11391	0	10186	43584	Lipid	0.4074074	1.5925926	0.037037037
18	C27 H43 O11 N1	558.2909	558.2917	-0.020682031	558.2909	16507	16232	17038	14566	10031	8177	17818	21797	13661	8850	9519	14286	15661	5089	20623	26395	14829	15397	23911	11970	10032	8700	18973	21776	22250	7277	13382	8134	31116	28405	19985	25702	24194	19883	10144	33919	22887	15049	17361	11680	3319	11092	0	0	0	11863	8245	0	22769	25955	11697	14607	9643	0	24615	12616	12699	21527	14096	8500	22902	6538	9611	13762	6951	15819	10531	18157	5861	7418	4915	19304	16403	28234	21823	20113	0	12772	28073	5970	16420	6776	16215	4268	21622	16203	18198	6675	13530	10777	22562	15895	32218	5463	12413	0	13099	14108	7611	11542	17766	29905	14382	18749	8981	18741	10610	0	14486	10657	Lipid	0.4074074	1.5925926	0.037037037
22	C31 H43 O8 N1	558.30615	558.3068	-0.054405913	558.3061	12902	16290	14876	16493	10174	6272	14553	21339	8358	9746	14735	9916	5383	4618	10416	20332	19000	4792	13402	19001	17144	10200	15809	23168	13172	25693	7716	12779	18306	17394	16909	17539	19842	12522	9800	19180	18679	11046	20403	16534	15843	12195	0	0	0	12412	9059	0	15909	14104	11727	10434	8025	0	9804	7193	7843	21743	9061	12661	21291	10770	5679	6269	6753	4606	10765	24898	17887	27131	28553	12625	16926	12856	13145	15373	0	10573	15062	10681	8787	4450	9051	13595	8330	8828	19827	7955	10157	23228	17243	18536	27418	5863	12448	0	12652	17288	5245	5750	10199	29099	10442	18724	5695	17965	8807	0	17110	7749	Lipid	0.2580645	1.3870968	0.032258064
10	C25 H43 O9 N5	558.31335	558.31366	0.2212265	558.3135	2586	3672	4281	4053	0	3763	0	0	0	0	4165	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39339	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3649	3893	0	0	5794	0	1899	1396	0	0	0	0	0	0	1606	0	0	0	0	0	0	0	0	0	0	0	0	0	0	200866	0	0	0	0	3174	1050	0	0	0	0	440407	149947	0	21087	4046	0	2711	2567	0	0	0	0	0	0	0	0	2131	0	0	0	Peptide	0.36	1.72	0.2
8	C25 H43 O9 N5	558.31335	558.31464	0.38763687	558.3136	2340	2938	1501	2036	0	5694	0	0	0	0	0	0	0	0	0	2398	0	0	0	0	0	0	0	3552	1552	0	0	21445	0	0	0	878	0	845	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2194	2456	0	0	0	0	1253	2969	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	190721	0	0	0	0	0	0	0	0	0	0	222369	95205	0	16793	1015	0	3201	1155	0	0	0	0	0	0	0	0	0	0	993	0	Peptide	0.36	1.72	0.2
14	C28 H47 O10 N1	558.3273	558.3278	0.3838746	558.3275	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10197	0	2355	0	0	0	0	0	0	0	0	0	0	0	0	0	25103	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1619	0	0	0	0	0	0	0	0	2256	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16459	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.35714287	1.6785715	0.035714287
24	C28 H47 O10 N1	558.3273	558.32794	-0.05544856	558.3273	7825	5736	8868	7403	6410	4818	29531	12805	11433	5542	1160	3119	15278	6832	11927	6185	2925	9540	23698	6632	4280	3900	5710	6540	9323	2801	14241	3448	13102	14218	10831	9504	13418	8855	8462	17058	16814	9054	3909	3211	1809	5644	0	0	0	3078	0	0	13627	10556	8443	6312	8427	0	22072	6793	3124	8077	9470	2484	10064	2077	14533	7255	6644	11811	7811	2805	1155	2755	2094	9709	8560	16865	6096	14723	0	6407	5802	3300	3800	2331	24802	7538	8372	8892	7833	4384	5883	1904	18779	17465	11775	2325	3507	0	6967	9218	5107	5970	9840	10616	4337	6213	4310	9806	3780	0	6908	15028	Lipid	0.35714287	1.6785715	0.035714287
22	C28 H47 O10 N1	558.3273	558.32794	-0.10190332	558.3272	7145	6999	7214	5044	3896	4621	21977	8476	5870	3293	1859	3067	7616	5259	8417	5996	5636	6119	12361	1789	3504	2347	8034	4695	7747	2419	12529	1315	10531	7076	7891	6419	9038	6354	2721	9699	13139	6617	5546	2441	0	2785	0	0	0	1474	1184	0	6072	7134	7159	4685	5283	0	14879	8434	2297	10201	7711	1716	7661	1539	9567	5668	3971	5287	4810	3479	0	0	0	6174	8052	12239	4438	7097	0	5816	3016	1787	4327	1325	26879	10122	5127	6071	6944	2837	6777	4253	9588	9834	7905	1369	2803	0	4782	5939	2587	5404	5085	11370	3931	3864	2849	5797	5614	0	3399	6796	Lipid	0.35714287	1.6785715	0.035714287
16	C25 H51 O12 N1	558.3484	558.3495	0.11007272	558.34845	0	0	0	1784	0	0	0	0	0	0	1492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13296	0	0	0	0	0	0	0	0	0	0	0	0	0	0	248	0	0	0	2251	0	0	0	2640	1846	0	328	0	0	0	0	9647	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27005	0	0	0	0	0	0	0	0	0	0	410488	171717	0	1324	0	0	3097	0	0	0	0	0	0	2659	41216	0	0	0	0	0	Lipid	0.48	2.04	0.04
12	C26 H47 O8 N5	558.34973	558.3506	0.15866013	558.34985	1804	1941	0	1474	0	5396	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56865	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1535	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	153103	0	0	0	0	0	0	0	0	0	0	235595	166796	0	16106	0	0	1787	2015	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.30769232	1.8076923	0.1923077
24	C29 H51 O9 N1	558.36365	558.36395	-0.065401874	558.36365	1540	0	0	1014	0	0	26415	1179	0	0	0	0	0	1032	0	0	1772	0	0	0	0	0	0	0	0	0	18107	0	1737	2741	1665	2220	1386	0	0	0	2160	0	1625	0	0	0	0	0	0	0	0	0	5181	1503	1630	0	0	0	0	0	0	0	0	1443	0	0	0	936	0	0	2155	0	0	0	0	0	0	0	0	1627	0	0	0	0	0	0	9525	2314	0	0	0	0	0	0	2051	1535	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.31034482	1.7586207	0.03448276
26	C29 H51 O9 N1	558.36365	558.36365	-0.2710845	558.3635	0	0	0	0	0	0	42498	0	0	0	0	0	0	2467	0	0	0	0	0	0	0	0	0	0	0	0	18240	2103	0	0	0	0	0	0	0	0	2356	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2537	0	0	0	0	0	0	1341	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6929	2540	0	0	0	0	0	0	1590	2170	0	0	0	0	0	0	0	0	0	0	0	0	6595	0	0	0	0	0	Lipid	0.31034482	1.7586207	0.03448276
24	C26 H55 O11 N1	558.38477	558.3856	0.023036776	558.3848	0	0	0	0	0	0	1515	0	0	11114	3273	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2854	2256	0	0	0	0	0	0	0	0	0	0	1298	0	1116	1537	0	0	0	0	0	4812	0	0	0	0	0	0	0	0	0	0	0	14276	0	0	5682	0	0	1446	5655	2561	0	2161	0	0	0	0	0	0	0	9008	0	2329	6199	2166	1928	0	0	1542	0	4059	0	0	8635	0	0	0	2596	0	0	0	0	1030	1870	0	0	0	0	48573	0	1329	0	2784	0	Lipid	0.42307693	2.1153846	0.038461536
14	C26 H22 O14	559.1082	559.1091	0.071604215	559.1083	8772	7961	12977	5807	19881	5980	3103	0	20098	22602	18381	1639	27622	6268	2358	0	0	14453	12823	9085	14786	26174	4376	0	0	3346	1253	0	0	0	1678	0	1701	0	37199	0	3478	4408	0	5713	12649	3471	0	0	0	11493	21020	0	0	0	5002	7121	7541	0	21679	17899	6936	1550	0	0	0	4768	40684	18031	6194	18353	3844	0	0	5479	9324	0	0	0	1947	0	0	2090	9352	18417	7986	15208	0	3173	22831	6066	9160	4052	4187	0	0	4329	3396	41250	26564	0	4414	6582	20393	28972	23328	0	2055	0	0	1336	15439	0	1841	23417	Phytochemical	0.53846157	0.84615386	0.0
26	C26 H22 O14	559.1082	559.1092	0.0641497	559.1083	4361	5101	3797	6489	10568	6102	0	0	14361	15011	0	0	31316	4245	0	0	0	15103	12352	7390	7711	12443	0	0	0	0	0	0	0	0	0	0	0	0	20183	0	0	0	0	0	0	0	0	0	0	10488	9321	0	0	0	6949	4451	5325	0	14568	9449	0	0	2611	0	0	5249	24440	11165	3681	10703	2948	0	0	4387	5926	0	0	0	0	0	0	0	5805	9404	5623	8124	0	0	16712	8102	4420	0	0	0	2150	0	0	12697	18472	0	4890	5974	9621	12304	13131	0	0	0	8202	0	10669	0	0	22770	Phytochemical	0.53846157	0.84615386	0.0
24	C26 H22 O14	559.1082	559.109	0.18363282	559.10834	7748	9435	6596	6441	14345	8078	0	0	17711	22528	3996	1741	34870	5240	1844	0	0	23622	23024	9417	11030	15683	3338	1247	0	3745	0	1103	0	0	0	0	2161	0	21064	0	2107	2254	0	4829	5167	1304	0	0	0	10292	15939	0	1487	0	7170	9500	9115	0	20772	16737	4012	2431	1386	1107	0	5384	36232	18433	4256	19693	3170	0	3446	4030	4981	0	0	0	0	0	0	2177	10296	9629	5800	9328	0	3449	19770	11871	6321	1288	2938	0	3751	4607	1506	19469	23724	0	7018	6233	13456	15001	15612	0	859	1757	11931	0	14777	0	1832	30469	Phytochemical	0.53846157	0.84615386	0.0
28	C26 H22 O14	559.1082	559.1091	0.22465219	559.10834	4297	3845	3573	4033	10123	4486	0	0	11743	12647	1906	0	23408	4399	0	0	0	10555	11290	6242	5161	11212	2909	0	0	0	0	0	0	0	0	0	0	0	14150	0	1647	2165	0	3222	2518	0	0	0	0	4406	6407	0	0	0	4692	3955	4799	0	12706	8050	0	1274	0	0	0	2990	15738	8523	1773	9660	2624	0	3267	3935	3340	0	0	0	0	924	0	0	5073	5318	4255	2257	984	1978	12427	4583	3848	1986	0	1302	1581	1335	1994	8890	15205	0	4623	5256	6434	11275	9695	0	0	0	5245	0	6681	0	0	17043	Phytochemical	0.53846157	0.84615386	0.0
22	C26 H22 O14	559.1082	559.1091	0.18488511	559.10834	28938	20106	22528	31050	57192	31698	3146	3380	56045	45974	19160	2754	86928	20116	11728	5466	0	53628	42712	35822	39545	72342	13012	0	7156	8610	3248	7238	0	0	2680	0	7288	0	68650	2210	9690	6000	2398	19636	13218	7170	0	0	0	31176	46091	0	0	0	23982	19148	32936	0	69612	50382	15822	3952	3066	0	0	11806	105618	51490	14080	49278	12126	4446	7138	9410	11928	0	0	0	0	0	0	0	35212	37109	27220	38868	0	10460	55026	26394	18834	8090	12178	3518	5482	7916	7808	65560	79804	0	23856	18848	37638	55544	54958	3592	5602	4680	33424	11357	45561	0	4530	93192	Phytochemical	0.53846157	0.84615386	0.0
18	C25 H22 O13 N2	559.11945	559.1203	0.021002714	559.1195	4413	3690	3113	0	6135	2089	0	0	5862	8193	3862	1470	15312	2733	0	2364	0	4625	5388	6568	4924	15737	2159	1307	0	0	0	1850	0	0	2627	0	2604	0	11410	0	3112	0	0	10351	9067	1920	0	0	0	9878	20417	0	0	0	5606	3206	3022	0	9116	6360	2948	1413	2544	1031	0	4675	19400	7320	1509	7697	2304	0	1112	0	2807	0	0	0	0	0	0	1046	1425	11242	2246	12258	1865	3306	8021	2835	1771	1606	3299	2751	0	2881	3561	13824	24547	0	3732	2670	3247	10287	4523	0	0	2188	10672	1818	4214	0	0	9381	Phytochemical	0.52	0.88	0.08
16	C25 H22 O13 N2	559.11945	559.1205	0.20262241	559.11957	8876	0	9364	7614	18296	6128	3154	0	16604	20556	9880	2764	22990	3800	3788	3304	3590	16046	22941	9100	19776	38804	4492	6724	1774	2874	3498	0	0	0	0	0	0	0	30594	0	0	0	1446	20881	18556	4560	620	0	0	25584	47724	0	0	0	11800	8575	8412	0	10056	17081	3402	0	2628	4414	0	15588	34488	14608	6032	9074	8174	2684	0	0	9166	0	0	0	0	3364	0	2762	5786	21348	5507	26491	1479	5614	9732	4238	6820	6166	2212	0	0	5232	0	43010	33064	0	8074	9256	6092	11122	16784	3318	0	0	26242	0	12174	0	2640	26314	Phytochemical	0.52	0.88	0.08
14	C25 H22 O13 N2	559.11945	559.12067	0.26616743	559.1196	2470	3867	2670	3883	4357	3214	0	0	7433	9215	6597	0	9350	0	0	0	0	5907	4606	6146	10628	12887	2261	0	0	0	1211	0	0	0	0	0	0	0	15794	0	0	0	0	5421	8422	2004	0	0	0	7360	21220	0	0	0	4511	2900	3073	0	9448	4753	1809	2930	0	0	0	2892	16622	3528	1541	6914	1965	1779	0	0	3984	0	0	0	0	0	0	0	1590	0	1339	11569	0	3230	9591	2880	1652	0	0	4064	0	0	2819	15125	15460	0	7265	3829	4603	9689	6491	0	0	3032	0	0	6863	0	0	11846	Phytochemical	0.52	0.88	0.08
18	C27 H26 O11 S1	559.12683	559.1281	0.4433195	559.12714	4387	4726	2484	3438	6135	4183	1536	1601	5789	35514	9575	1819	10443	5604	1816	2880	0	7922	7892	6342	7059	30522	2721	0	2405	6167	0	5455	0	0	0	2931	2740	0	50184	0	0	1142	0	4051	5816	2028	0	0	0	15608	21399	0	0	0	3447	8574	4873	0	10022	4394	3984	3461	3251	0	1975	6365	12712	5743	1936	3657	2583	2470	10610	11508	8801	1283	0	1435	0	0	0	2101	2360	8647	2949	20541	2187	10374	4345	2549	1365	3712	2934	0	3955	4018	4073	34143	36428	0	5160	5581	4540	6157	3491	0	2112	0	20349	4204	3242	0	1614	13292	Organosulfur	0.4074074	0.962963	0.0
26	C27 H26 O13	559.1446	559.1454	0.12338763	559.1447	6596	6095	4915	5767	11637	7247	0	0	14823	25927	2911	0	23627	4906	0	0	0	17138	9023	10467	12453	10753	0	0	0	7022	0	0	0	0	0	0	0	0	29432	0	2601	2885	0	7629	6935	0	0	0	0	10117	12164	0	0	0	6821	5584	4474	0	14898	9890	4204	2035	0	0	0	4439	23575	10363	3944	13474	3512	0	7264	15097	10903	0	0	0	0	0	0	0	8179	0	5168	7549	0	6264	18368	0	4222	2577	0	1507	3399	3773	0	13757	19049	0	6760	7955	7489	14130	10880	0	0	0	8596	0	9748	0	0	24159	Phytochemical	0.4814815	0.962963	0.0
16	C27 H26 O13	559.1446	559.14545	0.025690535	559.14465	37305	28631	28419	34572	33506	18598	8215	8020	46520	120904	53946	5566	62216	17288	15236	11602	7239	40512	43527	67724	62058	69639	20490	11787	10125	31528	7417	30188	9101	5551	10181	0	18066	8937	154856	6729	11174	13127	5139	41769	37455	9896	542	0	0	53655	61134	0	11063	6028	34124	32112	23957	0	37844	37134	21072	15250	9673	9032	12710	30575	67391	40738	13828	40307	13784	9057	32944	42560	47653	5669	8131	6427	6283	12065	0	8596	29021	46352	20424	52955	12536	27442	42214	20897	23614	11242	13580	0	16521	17117	0	64636	78167	0	34305	30990	38402	36769	37448	10812	10847	13259	52085	0	33047	0	7204	56520	Phytochemical	0.4814815	0.962963	0.0
24	C27 H26 O13	559.1446	559.1454	0.12668622	559.1447	11114	9904	12630	12683	15883	9068	2116	0	28027	40758	11938	2069	43774	6553	4142	3154	0	25729	21942	20948	21824	25287	7297	3544	2382	10936	3094	7425	3611	2190	2248	0	3392	1803	51379	0	3609	4555	2281	13498	9075	1670	0	0	0	24560	22347	0	1379	1692	15411	7193	7694	0	26960	18892	7343	2873	2775	1892	4224	12416	35894	22966	5435	25680	9348	2748	11970	15666	20826	0	0	0	0	0	0	2217	8966	10513	10017	16444	1760	8959	19623	14379	7909	3833	4130	3194	5492	4630	3059	23443	34836	0	12335	9795	18949	18626	21740	2203	2274	2179	20106	2424	17605	0	3185	38760	Phytochemical	0.4814815	0.962963	0.0
12	C27 H26 O13	559.1446	559.1455	0.029848145	559.14465	8561	7101	5635	5961	6126	2839	2214	3176	7016	21250	14069	3146	8028	4335	3396	2528	0	7465	10637	14612	12073	11950	4001	5344	2249	5524	2706	0	1778	1262	2478	4570	2912	3082	28278	1425	2343	2723	2982	6973	9883	1733	0	0	0	7446	15068	0	3767	3054	8228	5231	5360	0	7223	6720	4431	2876	5373	0	0	4061	13679	7742	2627	6244	4009	0	0	10806	12812	1591	3121	1524	2765	1451	0	2059	6115	0	4413	10744	2541	8501	5550	3632	4128	0	2237	0	2612	5549	3985	10356	12502	0	5675	5680	11353	10384	8275	4082	2412	4228	0	2834	7285	0	4166	11516	Phytochemical	0.4814815	0.962963	0.0
20	C27 H26 O13	559.1446	559.1454	0.0719514	559.14465	39306	34392	34777	29412	53933	30985	8272	9617	66058	140403	55355	7235	85813	32042	12618	12994	5251	48637	63356	70400	72774	84689	22730	9304	11560	49486	6635	30486	7381	4345	9266	6958	18524	6445	175781	6403	16617	16981	2931	52889	30197	12819	1336	0	0	68230	73794	0	7329	7466	43030	40870	32291	0	66102	43974	17827	13467	13514	5572	12347	34832	90644	52834	21701	54322	17820	6519	34732	57454	47844	11934	5207	2286	4279	4479	0	8211	32216	43277	27343	53479	11060	45850	59300	35309	28415	11207	17720	10053	20630	29730	15809	67118	86610	0	38999	28637	55410	57082	49932	8017	6528	9113	57279	8991	44226	0	9450	97311	Phytochemical	0.4814815	0.962963	0.0
14	C27 H26 O13	559.1446	559.1455	0.06195582	559.14465	14356	20392	13868	19480	20164	9797	7050	6453	28178	70039	39647	3332	21249	10331	5409	13409	5726	20553	19761	43159	33136	39129	8931	8661	6362	14721	5738	26750	4515	7127	5870	8919	7003	4305	78684	5982	6811	9303	5085	22681	30642	5609	0	0	0	25539	55717	0	6775	3234	14783	19030	12086	0	25039	12354	8700	5483	0	6892	0	16737	34417	23180	6605	20501	8153	6439	15573	23431	31195	6562	5140	4049	5532	2925	0	4213	16248	19585	13313	26935	5642	17351	20737	12104	14224	5062	8826	9186	7423	9783	5395	33661	37953	0	18538	13842	21413	26982	25195	8025	5093	9084	30909	10778	16482	0	8320	25743	Phytochemical	0.4814815	0.962963	0.0
14	C26 H26 O12 N2	559.1558	559.1568	0.19820088	559.15594	9674	10401	9816	14146	11626	5153	6530	4837	11155	34762	16535	3612	24346	5043	3246	7884	0	12145	10976	22957	26374	33655	4264	9147	5168	7363	3416	0	3948	3158	3101	0	6207	3092	42106	3186	5482	5421	3705	26133	33127	2481	0	0	0	24828	41389	0	3446	4321	12840	8699	6927	0	17255	10255	4040	6962	0	0	0	17744	27064	22385	3941	16215	5283	3552	0	12820	10724	4367	4398	2992	3385	2660	0	3898	10087	15169	5710	24354	3664	18008	16103	8845	9411	5535	6896	4934	8106	9297	9579	30093	26833	0	15412	8707	9298	15739	15527	9323	3212	8948	19190	4652	8473	0	5487	17124	Phytochemical	0.46153846	1.0	0.07692308
20	C23 H30 O12 N2 S1	559.15924	559.1603	0.49260038	559.1595	4597	12495	14915	9037	10085	5308	1446	3627	9974	27339	11844	3657	15567	3532	5965	5773	1618	10539	15255	10894	21343	21897	2413	5258	4303	22148	2731	11505	2373	1515	3983	1776	7444	0	37113	0	3492	4139	6302	18696	17018	4045	444	0	0	16761	21446	0	1767	4568	9026	8851	7800	0	13718	7774	5912	6055	4792	1057	5669	13396	10314	13384	3056	9037	9566	4813	15202	21870	15535	2070	2564	1889	2091	3950	0	2985	8532	11726	5597	17447	2686	0	10035	5561	5744	7178	3817	6392	12586	7228	11174	19376	18208	0	8047	8636	7599	13702	4939	3661	2260	4664	19324	4564	6130	0	7109	21185	Organosulfur	0.5217391	1.3043479	0.08695652
28	C28 H30 O12	559.181	559.18176	0.18306322	559.1811	4567	4072	5335	4820	8023	3658	0	0	10425	19434	5318	1261	20429	4047	0	0	0	8170	7470	10698	14093	8588	2638	2936	0	11152	1243	4534	0	0	1940	1411	1578	2013	21602	0	2068	1870	0	7840	6091	0	0	0	0	6640	8453	0	1627	0	5021	4458	5688	0	9385	8443	2440	1754	0	1079	0	3269	14023	8555	2270	10770	3673	0	5426	19013	13933	0	1232	0	0	0	0	0	5913	4991	5104	3921	2343	5440	10331	5470	5051	2880	2636	1304	3369	3316	2736	6017	9506	0	4065	4487	6434	8901	7714	0	0	0	5200	1195	5051	0	1707	11021	Phytochemical	0.42857143	1.0714285	0.0
24	C28 H30 O12	559.181	559.1817	0.02691859	559.181	26702	22425	21985	25591	34066	24235	7285	8722	44854	91525	30623	6214	68291	18254	11913	11459	2322	42876	36384	49627	52645	37830	18868	14402	6732	39895	5897	24713	5949	5473	6777	5631	7941	6030	114511	5034	13586	9410	5124	29927	29152	10019	0	0	0	44916	35001	0	7310	7951	23301	26242	20883	0	44704	33363	13642	14587	9978	7641	13502	21863	59296	33480	12154	35434	13533	5445	42348	71975	63101	9271	6797	4814	2776	4743	0	8123	21562	16099	21553	26853	7779	19772	50678	17984	20330	7590	11343	7853	11295	18193	14586	31500	47618	0	23731	21047	32793	34768	34591	6506	5528	10857	25296	8262	32269	0	9363	58948	Phytochemical	0.42857143	1.0714285	0.0
12	C28 H30 O12	559.181	559.1819	-0.010440125	559.18097	7808	6459	8389	6319	2713	3450	4280	6442	6231	18182	9468	4528	3754	1474	5157	8373	7059	3938	8393	9929	12557	11652	5389	5831	2399	10769	5042	0	3949	6225	4776	6206	5059	4251	20979	5590	3030	4636	5236	9837	10107	3436	0	0	0	13679	11420	0	7396	7063	7335	11902	3457	0	5729	2568	2617	6317	0	0	0	5321	6614	3642	2563	5914	2412	12789	0	10287	17076	4396	6978	4157	4375	5877	0	3703	7888	0	6603	6975	3948	7538	5942	2549	8150	1857	0	0	3525	4287	4938	6382	8527	0	6970	5919	5767	4628	3263	0	2667	7112	0	3590	4711	0	4333	6564	Phytochemical	0.42857143	1.0714285	0.0
26	C28 H30 O12	559.181	559.18176	0.067506336	559.181	18796	10951	8764	12724	19401	8954	0	0	21547	39416	11493	0	38546	8494	0	0	0	25464	22721	27989	31053	13232	9709	6918	0	17579	1954	8610	0	0	0	0	4404	0	49456	0	5307	7148	0	15479	16328	0	0	0	0	18456	21136	0	2825	0	9899	12345	12704	0	21172	17601	8305	0	5910	0	0	8713	26630	16626	3515	19014	5555	2673	18665	35926	31323	0	0	0	0	0	0	4037	12480	10053	9379	10973	3214	10179	20583	11023	12553	4008	4417	0	5635	5476	5461	10900	28771	0	11611	12198	11350	17688	17590	0	0	0	11639	5131	14357	0	4171	30312	Phytochemical	0.42857143	1.0714285	0.0
12	C27 H30 O11 N2	559.19226	559.1932	0.08385673	559.19226	10997	14405	13588	10046	7622	6260	5568	10092	9742	26529	11154	4365	10146	2917	4400	7112	5213	10622	11109	28459	29471	27545	7573	10153	4064	8956	4298	0	7131	4744	11933	8742	10765	6209	47776	7109	9813	7962	9903	29817	27165	4878	0	0	0	20619	18981	0	6262	5443	10311	6301	6099	0	9413	7045	3810	11936	5462	0	0	20004	17775	5708	3851	10550	5907	9948	0	18635	18935	4771	6593	8226	4717	5423	0	6810	8489	0	7987	10520	7683	14324	5957	2997	11582	5401	4175	18266	9126	8801	15513	22384	23990	0	13517	9809	4723	6089	6141	7636	6521	10252	0	8624	5486	0	4239	9405	Phytochemical	0.4074074	1.1111112	0.074074075
20	C27 H30 O11 N2	559.19226	559.1931	0.19103119	559.1923	15388	14761	8809	7489	10304	7957	6130	8478	6739	35085	12872	5483	7084	4248	7739	10367	6083	6845	15010	24756	23544	24530	8429	10676	11702	4181	4054	7697	7697	3528	6455	9071	15901	8671	26486	6325	11609	5378	5067	19434	13651	5529	0	0	0	16196	10553	0	7888	5251	8719	12277	7837	0	12239	9039	4743	12703	6297	4559	9782	17510	11531	11278	6026	11493	5154	4589	8060	12329	11136	8527	5491	4717	4791	4097	0	5507	9005	9568	8872	11321	8012	15501	9262	6514	7355	6864	9909	7444	12178	13686	17617	17445	20054	0	9912	9672	7006	6960	6011	7815	6283	7887	10422	7879	8870	0	6030	18652	Phytochemical	0.4074074	1.1111112	0.074074075
10	C27 H30 O11 N2	559.19226	559.1932	0.15848103	559.1923	7743	6806	8044	7158	4443	3082	2393	7287	5468	20416	11024	4287	8854	0	2696	6075	2942	4508	7166	14380	15102	23637	2769	7667	3027	4204	2225	3262	5649	2719	4004	5716	6389	4178	26350	2013	5478	2046	3864	16389	14098	2873	0	0	0	9114	10886	0	0	3320	7433	7074	3958	0	8591	3993	1953	5021	0	3094	0	7945	9657	7288	1644	5356	3083	4574	0	10461	5787	3988	3201	4105	3521	3084	0	3239	4858	6307	3237	8495	3950	7454	3656	1842	5928	3410	2254	7899	5651	5524	11212	12381	17963	0	7975	8313	2524	5341	3004	3631	1610	5619	0	5352	3640	0	4428	7354	Phytochemical	0.4074074	1.1111112	0.074074075
26	C29 H34 O11	559.2174	559.21814	0.033738542	559.2174	25293	22752	26698	22668	29797	19076	4858	12115	41475	65323	27401	9374	62003	15870	16968	20697	0	43339	38810	50503	64643	21818	17097	17560	11455	55511	7143	20283	12677	8397	14575	8352	17420	10452	69462	10671	20076	12905	8495	34403	21901	10121	0	0	0	30535	21146	0	9376	0	24128	24341	23126	0	41672	32223	11856	13268	12395	8745	12392	21836	50499	34171	12096	32506	14972	5655	41958	88416	73884	12854	8239	0	0	10303	0	11652	24458	23773	23893	21621	11423	25009	41062	28077	15617	11888	11497	9033	14012	19352	21725	30912	29362	0	23788	21562	25349	38069	33779	10299	5923	18114	17801	11466	24692	0	8508	47804	Phytochemical	0.37931034	1.1724138	0.0
28	C29 H34 O11	559.2174	559.21814	0.06608051	559.2174	9548	8844	9641	7427	13363	6113	2690	4673	12578	24206	7909	3092	23224	5381	5621	6026	4701	13530	12959	17613	21350	10016	6989	7842	6073	16868	4105	8901	4834	0	4662	3923	5473	3985	27754	2848	7282	3444	3293	10803	9864	4339	0	0	0	7337	6911	0	5590	5386	9463	9174	7501	0	13792	11696	6080	4745	3158	1558	4395	7854	16708	9852	4126	13595	5722	2351	20845	34178	34111	4407	2313	0	0	2597	0	0	10541	8427	7164	5644	3084	9920	14907	6738	9826	4224	4182	3023	4082	7154	9675	9269	10909	0	8143	9014	7416	13948	13514	4492	1938	6906	4580	4869	9500	0	3596	16478	Phytochemical	0.37931034	1.1724138	0.0
14	C29 H34 O11	559.2174	559.2182	0.003897924	559.2174	22355	21060	24250	22006	11894	8921	10889	20937	13800	31304	18711	15527	11841	5418	12747	21146	19176	9056	12726	29279	26175	16017	17539	20985	10210	26959	17927	13048	12183	18639	13992	34279	19847	9404	32288	14442	18492	16568	18744	18418	26054	9092	0	0	0	18287	19988	0	22928	25004	19623	17630	6717	0	11580	11217	9965	23556	15390	22172	0	11243	13177	12904	6743	9762	8773	21472	24366	28682	42045	14683	15797	18162	15654	19740	0	15961	23456	16286	21275	15747	16697	20336	14917	9468	19651	6111	9063	27909	14061	23796	19825	10475	13262	0	18830	25169	10300	14301	13774	17933	15805	28776	0	13181	8685	0	16881	16634	Phytochemical	0.37931034	1.1724138	0.0
16	C29 H34 O11	559.2174	559.2182	-0.05789754	559.21735	58380	60719	47781	49407	39412	25169	34787	45290	40582	99425	67630	39929	43851	17903	41397	59246	49472	38254	49665	99397	82237	51680	42971	59023	33251	92275	38906	51240	37480	40048	42341	49056	54320	35490	111484	47273	42005	38516	47290	58409	72416	22483	538	0	0	47261	58655	0	45077	50339	56332	60871	29893	0	44429	44502	22583	61530	39971	40393	60152	44156	55195	37696	20130	33482	30705	50989	76907	98436	125788	44863	41997	49379	42380	40180	268	40458	71228	28495	46891	43798	40224	52280	53568	27073	60100	27824	28651	66926	42642	40906	78819	32939	43093	0	56098	55812	37732	45269	37338	46725	33645	52189	32783	42636	37701	0	44402	44476	Phytochemical	0.37931034	1.1724138	0.0
14	C28 H34 O10 N2	559.22864	559.2295	0.11168484	559.2287	13083	16048	10458	14127	6990	3634	9390	12358	5681	19315	9586	7028	5582	2909	11875	12116	8929	5096	6460	23911	26724	23151	8441	17437	10383	9260	9259	13173	8205	10002	8763	13262	17811	11833	32799	11419	10656	9353	15329	23072	14664	9403	0	0	0	16606	13483	0	11876	10218	10668	13435	6687	0	5402	3873	5968	13434	8471	7112	0	11962	4974	3525	3035	6375	7138	8088	0	21238	9935	8442	7924	11037	9153	9361	0	7987	15084	0	8679	7715	9206	11130	4475	2554	15386	9280	5811	21543	18682	19029	21680	10403	18034	0	9300	10364	1787	4031	3357	12305	5091	13721	0	10347	6066	0	11129	5287	Phytochemical	0.35714287	1.2142857	0.071428575
16	C28 H34 O10 N2	559.22864	559.2295	0.07914014	559.22864	20825	16108	17001	22580	12054	5489	16206	21367	9714	33972	16119	9170	12580	4361	15905	19156	15422	14411	10255	41128	31184	35825	14025	22439	14641	13612	14828	13997	12789	15811	14989	20017	25943	18983	42554	13226	21707	12298	15463	29129	23564	10418	0	0	0	18650	10437	0	19453	14729	17841	18465	7191	0	9122	6847	6609	15276	17007	11062	16986	17066	7018	11773	6918	8212	9652	16021	5447	26001	13622	15489	14084	12464	11101	16302	0	13558	11719	17435	11879	9571	12922	20830	5803	8412	16888	8660	10666	0	26670	22460	43415	13596	33027	0	19341	19004	5260	7723	5150	22969	10260	23544	8229	16138	6356	0	16752	8058	Phytochemical	0.35714287	1.2142857	0.071428575
24	C30 H38 O8 S1	559.236	559.23663	0.4120621	559.23627	16428	7547	9210	11178	12548	6313	2977	4549	7361	35930	25606	3057	10553	5187	3233	4654	15094	8308	7838	24257	22861	21318	3449	7594	5651	28883	2852	35792	3498	2985	3330	3622	5810	2519	29235	2853	5846	3668	13934	27159	24923	4231	0	0	0	12643	16460	0	5052	3020	15988	10613	6926	0	5613	5555	3482	6673	9564	9671	6745	19609	8014	6351	3575	6206	7223	4108	25905	37729	36018	3878	3355	2278	3867	2812	0	0	6273	54057	4709	10663	7968	18974	7013	4961	10358	3837	4698	7035	38182	38726	15266	130536	46065	0	12809	9552	4659	6779	6247	5178	2512	18660	7376	7486	7853	0	12786	7223	Organosulfur	0.26666668	1.2666667	0.0
16	C30 H38 O10	559.2538	559.2546	0.006481888	559.2538	35837	30460	31371	30667	12310	9926	24089	34482	20050	28000	23370	19218	13859	11148	25318	38159	37854	10881	22430	29395	39092	21009	28917	31830	23032	27487	27116	20218	22889	25295	26339	25646	25863	15213	29881	31993	26176	22430	42573	22687	28870	10066	0	0	0	18441	26332	0	27013	31534	30187	27360	17960	0	29346	16926	14764	41623	19464	26737	41449	15138	26296	21857	13483	19235	12713	42676	28302	33776	41728	16842	25359	32349	36919	33502	0	21831	42334	20076	27288	17743	33891	21187	26506	17631	43329	10363	15642	56134	26394	26447	55101	14476	22345	0	35286	30956	17717	29258	25946	35534	19369	31323	12705	28123	24625	0	29717	23644	Phytochemical	0.33333334	1.2666667	0.0
18	C29 H38 O9 N2	559.265	559.2658	0.036252808	559.265	8231	7737	9113	8607	4695	3181	7282	8712	2125	4182	5823	5664	0	2936	3860	14291	7667	5469	3384	7770	7512	11011	6494	7612	8963	0	5146	2899	11516	8782	8755	9044	12840	11282	13600	10740	11710	6111	11693	8012	2021	4944	0	0	0	7372	2971	0	11552	12766	6942	7593	4628	0	3476	1528	2567	11320	4192	4989	11646	3719	0	3072	1634	3583	6762	8847	2399	3078	3564	9515	7559	6607	6267	10746	0	6393	6657	2923	5248	4028	5832	7853	3833	2456	11370	9160	4495	13050	17972	14216	20317	1355	7831	0	8325	6588	2209	0	4316	13460	5201	9393	2978	8377	2714	0	8137	3196	Phytochemical	0.31034482	1.3103448	0.06896552
26	C34 H38 O7	559.26904	559.2694	-0.20780392	559.2689	3736	4342	4226	4181	4228	2453	0	0	2744	0	7845	0	0	2576	6429	0	0	0	4795	0	7869	0	0	6164	0	32569	2652	9214	5910	0	5639	0	5172	0	3134	0	0	0	4009	6926	8406	0	0	0	0	0	0	0	3521	0	5212	4570	3572	0	0	0	3878	7327	0	0	0	4322	2026	0	0	4127	7162	7489	25087	12966	19875	0	3969	0	0	3013	0	3857	4446	0	4201	5061	3969	9092	7321	0	5691	3056	3343	4055	3800	0	0	0	0	0	3807	0	3207	10632	8211	0	0	7835	0	3262	0	0	5223	0	Phytochemical	0.20588236	1.117647	0.0
4	C31 H42 O7 S1	559.2724	559.27277	-0.42229584	559.27216	0	0	0	447	0	389	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5752	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46282	0	0	0	0	0	0	0	0	0	0	17129	4042	0	1390	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.22580644	1.3548387	0.0
2	C31 H42 O7 S1	559.2724	559.27277	-0.3618023	559.2722	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8966	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25248	290	0	0	0	0	0	0	0	0	0	4429	1042	0	852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.22580644	1.3548387	0.0
10	C28 H38 O8 N4	559.27625	559.2765	-0.05409181	559.2762	1769	1089	0	0	0	1221	1618	0	0	0	0	0	0	0	0	2028	1269	0	0	0	0	0	0	0	1257	0	0	6030	1852	0	0	1161	1283	0	0	0	1178	777	1091	0	0	0	0	0	0	0	0	0	0	1461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1369	0	0	1962	25556	4019	1913	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.3571428	0.14285715
8	C28 H38 O8 N4	559.27625	559.27734	0.23081376	559.27637	951	0	0	1088	0	741	0	1176	0	0	0	0	0	0	0	0	0	0	0	0	0	1602	962	1687	906	0	677	99578	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	810	806	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	808	0	999	0	0	0	17443	0	0	0	0	0	0	0	0	0	1377	0	0	1805	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.3571428	0.14285715
16	C31 H42 O9	559.29016	559.29095	-0.017425478	559.29016	6128	6470	4898	11774	0	3726	11077	8902	6548	6126	6732	5762	3834	2064	8204	9442	12336	0	4150	0	6592	6502	4029	7538	5400	3242	17232	0	9182	9772	9676	11686	11922	5432	5414	9388	6698	4384	24690	0	6754	2978	0	0	0	0	0	0	5364	6388	8184	8840	2510	0	7434	2570	4860	8660	0	5020	0	0	3788	4388	3630	5178	5988	15928	0	0	5568	3568	5738	8428	18646	11834	0	2832	10782	0	8438	3756	7232	6188	2910	3702	18816	2926	3278	0	14089	9194	0	3514	0	0	7804	4626	0	12294	10584	15108	4108	0	0	0	5546	0	9172	0	Lipid	0.29032257	1.3548387	0.0
4	C32 H46 O6 S1	559.3088	559.3092	-0.24688949	559.30865	0	0	0	0	0	2297	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10430	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26489	0	0	0	0	0	0	0	0	0	0	13430	2466	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1875	1.4375	0.0
8	C32 H46 O6 S1	559.3088	559.3096	-0.1865629	559.30865	1652	2022	1013	1997	0	2876	0	0	0	0	4694	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	81738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	865	2619	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	232490	0	0	0	0	0	0	0	0	0	0	188455	86451	0	16951	1644	0	2025	1742	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1875	1.4375	0.0
6	C32 H46 O6 S1	559.3088	559.3095	-0.26522672	559.30865	2800	1037	1479	0	0	4885	0	0	0	0	1061	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	104085	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1190	958	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	199992	0	0	0	0	0	0	0	0	0	0	81103	33246	0	10688	913	0	1410	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1875	1.4375	0.0
16	C28 H46 O11	559.3113	559.31195	0.011254471	559.3113	0	0	1583	0	0	0	8987	4913	0	0	0	3922	0	0	2632	0	6096	0	0	0	0	0	0	0	0	0	10421	0	13518	11765	4890	7867	3821	1933	0	10498	2451	1950	8169	0	0	1682	0	0	0	0	0	0	8170	6472	2339	0	0	0	0	0	853	0	0	0	0	0	0	0	1289	0	1483	5430	0	0	0	2199	5613	13147	30350	10858	0	4452	0	0	0	0	0	0	0	10495	0	0	1827	0	0	0	0	0	0	0	0	2478	0	0	0	4824	5179	2312	0	0	0	0	1655	0	Lipid	0.39285713	1.6428572	0.0
4	C33 H50 O5 S1	559.34515	559.3455	-0.3901315	559.345	0	0	0	0	0	1315	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3970	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24067	0	0	0	0	0	0	0	0	0	0	47389	4504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15151516	1.5151515	0.0
10	C33 H50 O5 S1	559.34515	559.3456	-0.06684504	559.34515	0	1169	856	0	0	1784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10881	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32170	0	0	0	0	0	0	0	0	0	0	95022	27362	0	1476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15151516	1.5151515	0.0
8	C33 H50 O5 S1	559.34515	559.3454	-0.43478584	559.3449	0	1618	0	0	0	2930	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	22799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33793	0	0	0	0	0	0	0	0	0	0	68534	24352	0	0	0	0	1004	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15151516	1.5151515	0.0
6	C33 H50 O5 S1	559.34515	559.34564	-0.55267537	559.34485	0	0	0	0	0	3066	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27050	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	19914	0	0	0	0	0	0	0	0	0	0	60355	7693	0	665	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15151516	1.5151515	0.0
22	C28 H50 O9 N2	559.3589	559.36017	0.5725242	559.35925	0	0	0	0	0	0	0	1303	0	0	0	0	0	0	0	20191	0	0	0	0	0	0	2708	28651	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2080	0	0	0	0	0	0	0	0	0	0	0	6738	0	0	14491	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1961	0	1014	0	0	0	0	0	0	0	0	2111	0	0	5483	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.32142857	1.7857143	0.071428575
24	C33 H50 O7	559.3629	559.3635	-0.10142458	559.36285	3431	2536	3584	3443	1895	911	11416	3355	2817	0	1167	2913	0	5073	2495	7813	14326	0	2009	0	0	1567	0	3199	5260	3677	17278	1946	4140	3931	2245	1486	2631	2291	0	5245	4058	3147	14847	0	1948	2240	0	0	0	0	0	0	6718	2007	3152	4493	2392	0	4580	8029	2648	7712	2403	2994	4659	1315	2725	3003	4025	2403	1820	18184	1205	1429	1853	928	1351	3729	4318	5137	0	2271	6255	1768	2681	1006	4002	2568	6533	6453	12021	998	1630	21761	5094	2629	5492	0	0	0	3293	3094	2496	14840	15012	5630	2644	2413	0	4170	6677	0	5888	0	Lipid	0.21212122	1.5151515	0.0
28	C33 H50 O7	559.3629	559.3636	-0.034491755	559.3629	4788	4052	5244	5037	3683	2049	17041	4575	5560	0	4710	4747	4352	4835	4567	5650	6270	2458	9447	2355	0	1711	2913	3555	11544	3426	12257	8505	6578	9384	3696	7965	9786	3376	1289	11861	7408	7289	8047	1718	2422	2946	0	0	0	0	0	0	5979	4729	5702	3992	2238	0	10118	10144	4545	8373	5988	3484	5976	2154	1803	4657	4295	5043	5060	11140	3661	2616	1092	2716	2843	9713	0	5093	0	3398	9721	6453	4773	2338	6431	4057	10674	9160	14781	2259	3768	7343	8623	7119	8527	3730	0	0	4853	4079	4737	19884	22644	12187	3068	8395	5022	6199	7901	0	6876	1623	Lipid	0.21212122	1.5151515	0.0
18	C26 H54 O12	559.3688	559.36975	0.094104804	559.36884	3232	2808	3323	2367	1515	0	0	0	0	18222	12764	0	3033	0	0	0	1374	0	0	0	0	3550	0	0	0	0	0	0	0	0	0	0	2548	0	4153	0	1783	0	1719	5034	5735	0	0	0	0	1337	5226	0	2233	0	0	2336	3144	3344	0	0	0	3773	37779	3116	0	3260	2685	0	0	2730	0	1835	0	0	2925	2365	2342	0	1734	0	0	0	0	0	0	0	0	0	0	0	0	2385	0	3495	7278	3225	0	3070	1955	0	3227	1672	0	0	0	1662	0	8095	64105	2615	0	0	0	0	Lipid	0.46153846	2.0769231	0.0
24	C25 H21 O14 N1	560.10345	560.1043	0.08383652	560.1035	4674	4861	6034	7793	9272	6456	1421	0	11422	10606	3679	1905	17023	3313	1600	2537	0	14370	10119	4786	10345	22635	3779	2167	1457	1419	1388	0	0	0	0	0	1310	953	6615	0	3426	1885	0	5902	3640	1775	0	0	0	13100	20255	0	0	0	4403	5064	6341	0	16894	10911	2549	1677	1309	1762	0	4333	21475	13695	5702	10468	4088	0	1757	2285	1324	0	0	0	1233	0	0	1025	5088	12987	2171	10784	0	0	11416	6266	2913	1727	2820	2147	0	0	4150	22144	26057	0	3690	5722	9345	10344	8846	1491	0	1458	19109	1813	9941	0	1305	18221	Phytochemical	0.56	0.84	0.04
22	C25 H21 O14 N1	560.10345	560.10425	0.06836972	560.1035	13250	15408	12628	14832	18904	16558	2754	4610	29706	21804	11772	2348	44982	11800	3370	0	0	44572	26998	27202	25118	38380	11036	5448	0	0	0	0	0	0	2658	0	4674	0	29376	0	3520	2882	0	14770	13916	3764	0	0	0	25350	67972	0	1307	0	9852	11110	18786	746	37884	32662	8380	5264	3934	3524	3694	14152	50940	33272	12848	30426	12360	0	1786	3662	3704	0	0	0	0	0	0	0	14348	42436	11936	31998	2476	6408	43652	16442	7658	9400	7384	4120	0	0	9986	47862	60938	0	13292	16124	23314	33344	29552	0	0	4612	53398	6368	26572	0	2656	51754	Phytochemical	0.56	0.84	0.04
14	C25 H21 O14 N1	560.10345	560.1045	0.07417744	560.1035	5513	0	2755	3274	6559	1913	0	0	11687	9802	3527	0	16789	1629	0	0	0	8527	3914	5108	8699	26657	1838	0	0	0	0	0	0	0	0	0	0	0	10840	0	1650	0	0	2666	10751	0	0	0	0	5750	19780	0	0	0	5143	4235	2517	0	7797	12588	2860	0	0	0	0	4756	17677	7323	2603	6658	0	0	0	0	2668	0	0	0	0	0	0	0	4332	0	0	6793	0	998	10825	0	2172	1874	0	0	0	0	0	20851	11635	0	4986	0	5961	13579	12932	0	0	0	0	0	5807	0	0	14400	Phytochemical	0.56	0.84	0.04
20	C25 H21 O14 N1	560.10345	560.1043	0.048643712	560.1035	13023	7293	4230	10353	21188	9486	1978	1552	22274	16699	5560	976	36208	3406	3449	0	0	22758	24040	16171	14783	29345	4368	1909	2644	1505	0	2943	0	0	0	0	2344	0	18776	0	4142	2879	0	7363	6498	5270	551	0	0	20258	35006	0	0	0	8252	9651	8688	0	24036	16353	8780	2321	1961	2200	2580	7862	35690	20336	7036	19442	5603	0	3569	3726	3207	0	0	0	0	0	0	1227	8068	21968	5807	17234	0	0	24154	11244	4212	4132	5250	1585	2243	3814	2749	40173	35934	0	7119	7035	16116	13812	19935	3109	1159	0	24357	0	14334	0	1924	23559	Phytochemical	0.56	0.84	0.04
18	C25 H21 O14 N1	560.10345	560.1044	0.14808461	560.1036	9709	6419	6608	8684	15266	9420	1383	0	19512	21148	11466	1215	33318	3883	2722	2377	2811	21399	19762	16162	19025	32460	6687	2877	0	0	0	2487	0	0	0	0	1765	0	24783	0	0	2667	0	8935	13840	5118	0	0	0	20215	34496	0	0	0	7536	11110	6509	0	12855	17539	4330	1670	1637	2000	0	8781	38768	16081	8376	20702	6517	0	4618	3882	0	0	0	0	0	0	0	0	7969	22245	4762	15660	0	3067	20767	10703	7092	3912	4569	3210	0	2408	6445	34935	42051	0	8858	6300	18682	16611	19843	4436	0	2050	23872	0	15291	0	2283	27325	Phytochemical	0.56	0.84	0.04
26	C25 H21 O14 N1	560.10345	560.1043	-0.007801123	560.10345	4021	5331	4988	5783	8011	3028	0	0	8817	11541	0	0	20216	3327	0	0	0	12939	8831	6964	11929	18447	0	0	0	0	0	0	0	0	0	0	1730	0	13179	0	0	0	0	4677	5430	0	0	0	0	13679	15745	0	0	0	6338	4317	3856	0	14471	7067	0	0	0	0	0	4405	21686	12354	4602	11044	4162	0	0	2873	2271	0	0	0	0	0	0	0	5084	10424	3763	9847	0	0	12116	7927	3558	2377	2693	0	0	3447	0	13977	20759	0	3685	6034	8924	7414	7055	0	0	0	10810	1311	6176	0	0	20530	Phytochemical	0.56	0.84	0.04
28	C25 H21 O14 N1	560.10345	560.10425	0.066362426	560.1035	4900	4625	3373	5457	6605	3876	969	0	10400	9838	2129	0	18415	2779	0	0	0	11542	8753	6852	8230	12021	2312	0	0	0	0	0	0	0	0	0	1234	0	17049	0	2181	0	0	3219	6132	0	0	0	0	8987	11912	0	0	0	5172	3351	4829	0	14533	7988	2427	0	0	0	0	3618	18352	9826	3067	8984	2575	1183	0	3513	3538	0	0	0	0	0	0	925	4260	7248	4234	6777	0	0	10081	6305	3718	1860	2038	1605	1576	1461	0	12829	20107	0	3953	5854	5413	8281	6341	0	0	0	9215	1957	6483	0	0	16113	Phytochemical	0.56	0.84	0.04
28	C26 H25 O11 N1 S1	560.12213	560.1222	0.091933966	560.12213	3056	2705	2645	2128	3279	4179	0	0	4361	2686	2408	0	4673	0	0	0	0	6243	0	7027	8934	4643	0	0	0	0	1135	0	0	0	1318	0	1308	0	4050	0	0	0	0	3361	5730	0	0	0	0	25410	59661	0	0	0	3167	3346	2150	0	3617	0	0	0	3342	0	0	8245	4253	3219	0	2850	2074	0	4404	2945	0	1343	0	0	0	0	0	0	0	5136	0	20344	0	0	0	0	0	0	1980	0	1309	2097	2704	8241	4318	0	4449	4467	3687	0	0	0	0	0	41299	0	2118	0	1346	8242	Organosulfur	0.42307693	0.96153843	0.038461536
28	C22 H25 O16 N1	560.12463	560.12555	0.11251942	560.1247	3056	2705	2645	2128	3279	4179	0	0	4361	2686	2408	0	4673	0	0	0	0	6243	0	7027	8934	4643	0	0	0	0	0	0	0	0	1318	0	1308	0	0	0	0	0	0	3361	5730	0	0	0	0	25410	59661	0	0	0	3167	3346	2150	0	3617	0	0	0	1673	0	0	8245	4253	3219	0	2850	2074	0	4404	0	0	0	0	0	0	0	0	0	0	5136	0	20344	0	0	0	0	0	0	1980	0	0	0	0	8241	4318	0	4449	4467	3687	0	0	0	0	0	41299	0	2118	0	0	8242	Phytochemical	0.72727275	1.1363636	0.045454547
12	C22 H25 O16 N1	560.12463	560.1257	0.2388667	560.12476	3601	6160	2957	7312	13820	4002	0	1475	17179	3608	4735	3322	27185	2973	2971	2113	4128	13511	16609	2298	9779	11628	7169	2564	0	0	0	0	0	0	1751	0	1856	0	4661	0	0	2718	1859	0	6351	6315	320	0	0	15566	46250	0	1374	2280	3412	3855	6949	0	18320	23262	5985	1729	0	0	0	7271	27265	16756	4772	15173	4199	0	0	0	2539	0	0	0	1765	0	0	1730	2987	0	4492	14024	0	900	20573	7888	4117	4402	2934	4076	0	0	4295	24915	7474	0	3874	7555	18677	21468	26150	3807	2199	0	34022	2070	15017	0	0	24970	Phytochemical	0.72727275	1.1363636	0.045454547
14	C26 H25 O13 N1	560.1399	560.1408	0.19745618	560.13995	10354	13102	10159	8494	13856	7562	0	2705	18844	46478	25215	3166	27131	4385	2796	0	3024	12231	15110	22885	32083	33301	5602	5376	2511	10354	1401	9732	1508	2008	2905	0	5561	1770	69794	0	4606	4316	1643	20066	27806	3551	0	0	0	21190	39371	0	1766	2065	12977	12108	6877	0	19993	15804	3738	4595	0	0	0	17477	31277	20618	5294	17447	3987	1938	0	17558	22189	1864	1791	0	3667	2853	0	1626	5623	31254	4138	17921	2048	12496	13313	8133	6389	3747	1851	0	3679	7695	7816	28050	43530	0	9148	10397	10115	13287	15917	3766	3155	4897	20993	3949	10332	0	1945	22794	Phytochemical	0.5	0.96153843	0.038461536
22	C26 H25 O13 N1	560.1399	560.1406	0.09160585	560.1399	12205	13000	11586	10387	16277	10221	1321	1804	23169	43291	16056	0	26507	6521	2607	3522	1401	27370	21207	26117	25484	35079	4352	5778	4230	9525	1940	5782	3192	0	0	0	3434	0	53149	0	2818	2472	1347	21949	11605	3819	0	0	0	35122	38613	0	2034	1853	9738	6961	10289	0	28516	16638	5677	1669	1547	2076	0	15680	34990	12643	6359	16127	5594	2670	11607	11591	11177	1613	1420	0	0	1558	0	1608	9538	19294	5520	23212	0	9961	19405	12840	10986	6728	3959	2474	5921	7214	0	31722	44503	0	8045	8895	12839	12711	14562	2705	1430	2972	32601	1947	17080	0	2424	31753	Phytochemical	0.5	0.96153843	0.038461536
26	C26 H25 O13 N1	560.1399	560.1406	-0.006050192	560.1399	5309	3792	2378	4746	4585	3768	0	0	6791	15154	4979	0	15199	0	0	0	0	8886	6280	13072	18106	13958	0	0	0	0	0	0	0	0	0	0	0	0	16432	0	2445	0	0	6255	6554	0	0	0	0	14769	21786	0	0	0	5380	6166	5171	0	9032	7606	3497	0	0	0	0	4043	9013	5905	0	5828	0	0	0	7654	4540	0	0	0	0	0	0	0	3717	6633	3910	10470	0	2534	8889	0	2319	0	0	2088	0	0	0	13439	25464	0	0	0	5445	3924	6288	0	0	0	6607	0	4521	0	0	15275	Phytochemical	0.5	0.96153843	0.038461536
12	C26 H25 O13 N1	560.1399	560.14075	0.058582503	560.1399	3589	4945	2656	5341	6548	0	0	0	9256	29039	12465	0	11338	2343	2054	0	0	10951	6919	9137	19486	24618	2275	0	1970	5728	2092	0	0	0	2606	0	2816	3025	42132	0	3208	1483	1792	11957	15747	1863	0	0	0	16156	20666	0	1621	1396	4835	3645	2760	0	6855	8481	2632	1386	0	0	0	6389	19084	9801	2491	9479	2784	0	0	6403	11451	0	1631	0	1828	0	0	0	4389	0	3277	10026	2662	3346	8834	4203	5946	1795	3462	0	0	3883	5074	19270	16349	0	3483	5063	6147	8143	11797	2115	1086	0	20510	2726	7368	0	0	12282	Phytochemical	0.5	0.96153843	0.038461536
20	C26 H25 O13 N1	560.1399	560.1406	0.043400012	560.1399	12871	18619	19389	13055	24632	12071	2086	4801	28935	61780	20464	1844	42819	8348	8403	5095	4085	35524	28001	41093	47442	50493	8739	9178	5047	10477	2638	14703	3676	1432	2063	4227	6021	3243	72189	1379	6693	5016	2002	28626	20624	10305	0	0	0	52277	50950	691	4082	2434	17830	16002	14610	0	33514	25478	7429	6810	5796	4317	5413	23723	42894	21018	10684	30247	9004	3182	11410	21805	18110	2220	0	0	2032	1705	0	4040	12871	32267	8106	34375	3271	21274	25676	14275	13576	6523	4902	4593	6351	9564	12216	54632	67723	0	21432	18237	21973	20309	21005	6865	2394	5787	43557	3504	18385	0	4588	44195	Phytochemical	0.5	0.96153843	0.038461536
18	C23 H29 O15 N1	560.161	560.1618	0.032309413	560.161	40310	29263	30699	24575	34378	33880	11781	24819	44318	32892	19315	15325	80133	18570	31306	21301	10288	61101	55777	53556	55761	65346	35967	20700	13773	10416	10258	8487	23185	24386	19565	16959	23447	13778	40092	25934	17061	21664	9626	46240	28931	25711	1061	0	0	226975	245455	0	16989	18665	35869	37474	29018	0	78918	40732	16864	11146	26077	8279	20758	50618	52712	41815	16533	33482	22129	5950	18950	17616	21637	20382	19349	22838	10372	20174	0	22146	15723	49804	17847	172890	9832	16138	38283	28371	11312	12601	17670	8769	7989	18436	29070	52052	56474	0	34585	40322	40480	21572	20776	22996	18195	22595	225956	14153	40858	0	10634	61132	Phytochemical	0.65217394	1.2608696	0.04347826
26	C23 H29 O15 N1	560.161	560.1618	0.043047026	560.161	0	4161	3291	2330	2195	3342	0	0	2771	8934	3383	0	0	0	0	0	0	5371	0	8220	12235	6932	0	0	0	0	0	0	0	0	0	0	1918	0	4782	0	0	0	0	6268	5685	0	0	0	0	39879	50738	0	0	0	3714	3370	0	0	0	0	0	0	0	0	0	10200	0	3137	0	4438	3189	0	0	3805	6123	0	0	0	0	0	0	0	0	6188	0	31875	0	4599	0	0	0	0	0	0	2208	0	0	4566	0	0	3526	5117	2714	0	0	0	0	0	40828	0	0	0	0	5019	Phytochemical	0.65217394	1.2608696	0.04347826
14	C23 H29 O15 N1	560.161	560.16187	0.07959759	560.161	42543	33765	33047	37978	34117	30391	11627	25905	51825	43624	27135	18041	80450	15359	37055	28634	20377	72694	67457	52528	57014	81514	39690	28523	12653	7466	13169	11782	27348	22865	21421	23560	30730	19477	45808	26759	24022	25284	15075	38243	30632	29889	0	0	0	148450	284614	0	16408	31978	39221	29207	30246	0	87489	43114	17466	14512	31336	22677	20495	55939	58031	49640	21298	44290	24979	10587	25189	12178	18812	24121	16527	30102	16736	15729	0	22328	26052	68986	23838	119653	8354	12109	48051	31368	23010	21201	24771	10661	13643	21827	31951	70528	71512	0	34927	51905	35214	37850	38031	35345	19598	40902	303121	21577	45780	0	11639	58492	Phytochemical	0.65217394	1.2608696	0.04347826
10	C23 H29 O15 N1	560.161	560.16205	0.251098	560.16113	10010	6657	10499	6334	9431	4580	4423	9061	10780	11100	5735	7808	20039	2403	6124	7771	6910	14413	14909	12749	20168	17010	10558	12397	3087	1488	4699	0	5766	6210	5286	4937	6372	5486	12048	6649	6297	9040	9237	8284	10364	5091	0	0	0	26009	57268	0	6944	8202	8779	8724	8761	0	17828	14794	4999	7133	3566	7571	9404	6752	20510	12065	6708	15225	7297	9985	0	0	4358	8378	5136	5500	5732	6854	0	4713	9270	9349	8382	15869	2582	4130	15500	7633	8659	6004	5356	7585	0	3080	10807	15477	17006	0	13315	13014	12909	14421	17444	12499	4971	7592	41234	5004	10316	0	3018	13870	Phytochemical	0.65217394	1.2608696	0.04347826
22	C27 H29 O12 N1	560.1763	560.177	-0.025765888	560.1762	18332	19573	20194	19418	18597	16146	2458	9953	28370	78031	34938	3291	29221	12047	5452	8145	6126	33484	25803	52001	44414	36087	12134	17744	11436	29404	4197	17649	10648	6421	7310	0	6691	6781	80481	9106	9332	8881	2702	36839	19254	8019	0	0	0	49951	43461	0	8682	8284	15900	21603	15387	0	24014	27341	12825	11978	11709	4163	12372	27493	40278	20801	8948	29819	12276	5646	25176	50104	36397	9216	4733	4301	5705	6185	0	7216	11308	19993	12163	28784	0	19086	21460	17098	10999	9485	8537	7619	11803	14842	15060	31860	54834	0	24172	28827	20028	20108	16736	11666	3109	10036	29050	7446	18287	0	6838	43173	Phytochemical	0.44444445	1.074074	0.037037037
24	C27 H29 O12 N1	560.1763	560.17694	0.05095028	560.1763	7773	7898	11012	11925	14333	6979	1922	0	13719	37566	12901	1151	20366	7051	4700	5190	0	16073	12942	21646	23369	18476	2738	4542	2865	14391	1232	9846	0	2899	1786	0	5194	1210	43816	2677	2566	3248	0	16168	10416	0	0	0	0	27228	19366	0	2221	0	8813	8093	6613	0	14375	14132	2800	2795	1942	2413	4865	11731	20879	12791	3463	15819	3210	1848	14034	28125	16515	3026	2057	0	2205	1570	0	2522	8831	12319	7209	13275	1936	12604	14358	7004	5412	3130	3573	2863	5689	3817	6168	14541	30052	0	8364	10552	8809	8337	11004	4489	2382	2652	19900	1879	10655	0	2920	20506	Phytochemical	0.44444445	1.074074	0.037037037
26	C27 H29 O12 N1	560.1763	560.1771	0.03661996	560.1763	3786	3124	4374	4316	5586	3592	0	0	8029	23445	4023	0	13956	4800	0	0	0	11047	5736	10919	15244	11285	0	0	0	5936	0	2982	0	0	0	0	1801	0	20429	0	2773	0	0	9778	6074	0	0	0	0	10922	12101	0	0	0	4478	3284	0	0	10475	5634	0	0	0	0	0	6870	12380	6257	0	6453	0	0	8531	13782	14962	0	0	0	0	0	0	0	3455	0	0	4805	0	3521	6820	0	2353	0	0	0	2553	2347	0	7203	19515	0	4640	5857	5569	5051	5145	0	0	0	9041	1816	4614	0	0	13249	Phytochemical	0.44444445	1.074074	0.037037037
18	C26 H29 O11 N3	560.1875	560.1877	-0.035140943	560.18744	70052	45660	50368	102696	53856	90524	31659	79648	40204	44920	2295	25808	195972	17776	76416	55244	27584	53252	129552	61984	2140	74704	76088	73500	51076	3963	17056	55642	0	24302	80536	51120	86755	31776	0	52376	149052	39044	22044	122580	90694	34560	0	0	0	80164	43864	0	53600	48300	120941	50356	65536	0	56960	69744	36096	83848	64116	12960	67748	44072	52616	42680	50728	91800	37224	59052	3518	3274	5940	32236	57888	37376	0	34648	0	27224	55500	43076	34987	41200	34756	26147	43940	36480	77544	31056	59408	56568	51488	101291	115320	47752	92328	0	49380	0	42844	77476	33908	127184	37728	39252	0	0	38668	0	63404	50236	Phytochemical	0.42307693	1.1153846	0.115384616
20	C24 H33 O14 N1	560.1974	560.1981	-0.051062994	560.1973	44753	42027	43874	40341	32430	38822	15469	48107	52504	64219	21302	20189	76045	16608	47421	21126	15199	62263	54655	84695	82283	59066	40367	35917	37533	17013	10811	14936	45209	32946	34232	31719	31333	26299	72779	43815	43956	26868	10741	52915	23074	24966	1384	0	0	227789	123246	0	32649	38624	35541	43498	27190	0	79572	33743	18161	25886	45142	8028	28373	52821	62497	38614	15952	38026	22815	9181	17448	38726	18700	37391	29826	41228	16133	27150	0	29894	21139	33559	21116	105438	19002	34756	29184	27261	18785	17077	24432	10623	28521	36953	44193	37053	48696	0	38611	50942	34355	15722	19780	30792	26097	35863	150277	24094	30796	0	18261	59286	Lipid	0.5833333	1.375	0.041666668
18	C24 H33 O14 N1	560.1974	560.1981	-0.032427352	560.1974	67590	68487	70469	62774	53602	55854	33965	90463	85331	112983	36552	30280	125037	26602	85952	55292	23077	128679	106479	151840	122469	97155	79231	68017	74696	33999	26190	23525	102583	68233	68435	61055	72055	61953	128244	72210	71123	52939	19018	95916	36272	43747	1875	0	0	334588	155114	0	68408	64227	65770	73564	45388	373	133965	57052	32835	51356	80946	21652	55956	77803	100132	71461	25665	61378	51536	23200	28992	60325	29461	66004	61322	80346	24896	59109	0	57454	44394	58104	41119	177305	41059	47939	64810	51353	37845	29826	45147	16061	40810	68251	91571	52396	93269	416	66606	85064	57033	30438	45081	69478	40532	83132	200639	46203	51856	0	32194	101181	Lipid	0.5833333	1.375	0.041666668
14	C24 H33 O14 N1	560.1974	560.19824	0.035276044	560.1974	46972	49226	39988	43794	30006	25939	35638	64797	48639	53783	39164	31752	64479	15848	52115	44427	39014	54969	65750	90295	90431	75703	52082	68364	43692	23556	22875	28787	65727	54796	39296	44183	53727	40598	84273	52647	45541	44105	26058	48253	44182	34843	0	0	0	173215	174369	0	40832	55368	50720	43908	30187	0	82157	30356	19295	36436	72930	30579	60946	55051	52185	45662	21904	36965	31686	22360	26344	38776	19745	45129	41596	58148	32140	40510	0	40473	38597	51266	36477	93090	29525	32217	42738	37515	35129	18295	31439	24317	25689	41904	58921	46511	79710	0	51307	60122	39427	25050	38521	63103	29916	71205	207825	38671	43935	0	26188	54451	Lipid	0.5833333	1.375	0.041666668
16	C24 H33 O14 N1	560.1974	560.19824	-0.003972192	560.1974	78138	79416	72546	78744	49572	53175	45322	94128	80032	107202	52350	37877	103063	23088	86276	66869	32092	123325	116782	159453	115579	115142	83757	84083	69927	38204	33572	29983	97586	74459	82014	75071	74851	56820	127772	85575	79704	59964	26734	104825	58274	49231	1855	0	0	277223	210226	0	63981	80992	85080	74554	45226	0	139741	61649	35322	57257	96380	24473	94554	75079	87434	67457	27340	69688	52032	26435	36292	52201	30922	71043	78386	96756	40016	52158	0	55311	53963	79733	49624	171993	45639	61316	62568	52185	44246	32262	45423	0	42501	77721	112443	73934	114993	0	76812	91765	56248	33277	49932	82292	40581	79640	218843	64898	53180	0	35353	76497	Lipid	0.5833333	1.375	0.041666668
12	C28 H33 O11 N1	560.21265	560.21356	0.12513398	560.2127	6493	10245	6371	5347	2719	4860	5767	8022	4464	26139	14097	2902	5586	3690	6363	7248	4730	3653	7201	32735	17124	15329	8781	5225	5146	13407	4442	13065	5293	5952	7244	4986	8309	4571	44299	5372	6505	5065	4775	21663	18710	3222	0	0	0	14361	9815	0	8110	6158	8156	7383	6648	0	6228	4488	3147	5545	0	0	0	8429	7649	4937	2809	6219	5304	8686	0	21925	15521	3659	4630	6185	4358	4665	0	4830	7758	0	4990	7779	4546	11577	6114	2341	6079	2487	3087	13590	7244	7550	9007	6130	13019	0	6077	8098	4212	2530	5870	6451	3920	9332	0	6252	3661	0	5321	6487	Phytochemical	0.39285713	1.1785715	0.035714287
10	C28 H33 O11 N1	560.21265	560.21356	0.06258742	560.21265	5635	4230	3879	3972	2432	2848	2343	4899	2479	16246	6216	1202	3437	0	1532	4949	2082	2960	2829	15400	14817	9724	2222	4784	2205	6844	2079	4762	4903	2320	0	2827	3892	2762	20329	2669	4933	1834	3267	9096	8201	2524	0	0	0	6972	5191	0	0	3735	5524	5587	1727	0	4624	2297	1081	4818	0	0	0	3663	3593	2430	1927	4160	2828	2853	0	9675	10341	2211	1523	1588	4130	2909	0	1889	4109	0	3344	3061	4294	5478	4021	1871	3075	2632	1864	4467	0	3699	7898	5183	10308	0	4875	4130	3502	2328	1427	2575	2079	5396	0	3115	2940	0	3998	3111	Phytochemical	0.39285713	1.1785715	0.035714287
26	C28 H33 O11 N1	560.21265	560.21326	-0.03515806	560.21265	8714	6306	8442	6048	7837	9155	1592	0	11687	26117	6538	0	14482	5567	0	0	0	16904	10689	15700	21995	7653	0	0	0	20751	0	6866	0	0	0	0	0	3048	25005	0	5254	0	0	12348	8866	0	0	0	0	11506	10157	0	3507	0	10110	6904	6348	0	11433	11661	3899	4345	3470	0	0	9215	12247	6333	4042	10138	4984	0	21305	32271	29645	4118	0	0	0	0	0	0	5978	0	3778	6634	0	8068	8252	0	4698	2971	4642	2757	3768	5043	5717	8768	13128	0	7638	5754	5570	6600	8806	5383	0	0	0	0	5122	0	0	16811	Phytochemical	0.39285713	1.1785715	0.035714287
24	C28 H33 O11 N1	560.21265	560.2134	0.005824395	560.21265	33558	39814	28684	38223	28246	31743	5892	19696	41244	102654	50160	10506	64176	23754	13140	19044	9130	45938	57514	94414	83680	47120	20500	19736	17392	82972	5557	38272	14666	8240	12488	13690	25670	17882	124336	13480	17624	13052	14614	67390	42964	15532	0	0	0	70078	40268	0	16479	12126	33244	26114	27686	0	46266	37362	16034	28547	21404	8936	21754	49414	53824	40938	14110	38568	22799	14742	73204	118254	112234	19902	14312	8150	9436	10646	0	9234	21592	30508	19336	38374	15541	31592	51114	20906	17864	17508	20452	18180	25061	31710	30317	32800	56069	0	39206	38432	27016	31342	36164	14968	13868	19605	35288	14598	23556	0	12786	75572	Phytochemical	0.39285713	1.1785715	0.035714287
8	C27 H33 O10 N3	560.2239	560.2249	0.095944874	560.22394	6794	7364	5500	5628	3048	1661	4346	6399	1711	10217	4076	5630	3747	1420	5287	7411	4250	3235	5959	11871	4194	12711	5672	9200	6082	1144	3094	0	6514	5340	5294	5136	5041	5266	11943	5083	7529	4604	4641	11642	10445	2043	0	0	0	7805	6803	0	8322	4922	7068	4962	3732	0	3970	3454	1929	8084	3604	2886	11325	6758	3444	2758	1814	3322	3528	6405	0	3631	5201	7993	5061	3595	2225	3394	0	3716	5755	6195	4995	4605	5060	5548	1360	0	9895	5188	3799	10085	0	0	21311	5047	7462	0	7310	5299	2648	2554	2122	8203	3277	6896	0	7959	2030	0	7414	2603	Phytochemical	0.37037036	1.2222222	0.11111111
12	C25 H37 O13 N1	560.23376	560.23474	0.14761528	560.2338	4916	8030	8058	8517	4116	5335	9071	22149	7167	11317	4665	10812	11336	2495	14311	6808	13279	9543	9128	14360	12767	15696	13014	15743	13511	5939	5339	0	14129	12378	14534	12269	15134	13284	14343	13387	9959	7061	14521	15300	5713	4761	0	0	0	15099	10145	0	9514	14069	7506	8588	5935	0	13634	5768	6086	9657	15829	0	0	7094	10256	4855	4350	6178	3859	17025	0	5401	7407	9691	10604	14732	9041	6753	0	10998	12924	0	9174	8974	6851	5547	8382	5867	10494	3989	4880	8628	8413	8624	19597	6145	6377	0	7392	12178	5227	5398	7088	12624	6532	11722	0	7108	5642	0	10359	6148	Lipid	0.52	1.48	0.04
14	C25 H37 O13 N1	560.23376	560.2346	0.001620169	560.23376	24610	19113	21008	22323	10064	10321	19554	42888	17297	25914	13263	16398	23808	5783	34265	33472	30136	21566	26432	56459	31913	23355	37397	46836	30639	9707	15901	11565	39741	38552	29579	33495	25282	22086	35973	34617	24001	23203	17973	28481	14721	18294	0	0	0	40854	31802	0	27517	37662	26543	23260	17570	0	35113	15879	11701	21622	44088	13762	27613	19031	18041	20568	11683	18558	18397	24298	0	15342	10968	31793	27635	44365	23582	19993	0	20000	17025	18419	23581	26076	21604	13398	22223	14271	20020	10795	17098	16957	12170	23873	36367	14738	22352	0	27432	35900	17549	11292	19882	35996	19085	43878	34019	25273	15209	0	17978	15950	Lipid	0.52	1.48	0.04
28	C29 H37 O10 N1	560.249	560.2497	-0.086071245	560.24896	4541	3343	6834	3529	3611	2568	1923	2722	4339	10011	11026	1785	8490	2660	0	5380	2835	6569	5019	10628	9943	3367	2879	3413	0	39986	1733	7298	0	2971	2088	2388	3863	2655	9663	3422	3519	2523	2416	7447	4863	0	0	0	0	4501	3533	0	5468	0	4424	6502	3611	0	4772	4051	2385	3971	0	0	4352	3980	6037	2457	0	5589	2427	2431	15395	39174	22547	2318	1728	0	2946	0	0	2441	4241	2853	2137	2608	0	4107	4943	3975	3981	2938	2631	2355	3850	3895	4198	2087	4484	0	4795	3644	2286	4121	4863	3581	0	4562	3075	3577	2942	0	2756	3584	Phytochemical	0.3448276	1.2758621	0.03448276
12	C29 H37 O10 N1	560.249	560.25006	0.15844984	560.2491	14248	9340	11054	9170	2842	4338	0	11612	4596	22886	6818	4248	4686	3526	4966	6064	12840	6218	7588	27572	28336	20504	4702	12788	10301	15324	10038	0	11332	9306	12236	8328	13830	7664	50462	7560	7270	6852	7974	21438	20180	3938	0	0	0	10896	12282	0	5540	10346	9698	6284	5670	0	4246	4818	2344	10596	0	0	0	15804	6364	6162	2322	8030	5434	9580	0	26562	24030	9358	9466	18512	9764	7871	0	5749	8904	0	3922	3054	3798	13020	1934	3898	12038	2366	0	13020	22997	10418	13182	9570	18060	0	10546	12598	3072	3618	2232	7526	5536	8920	0	10332	2988	0	7626	6162	Phytochemical	0.3448276	1.2758621	0.03448276
8	C23 H37 O11 N5	560.2562	560.25665	0.41002613	560.2565	2735	828	0	1143	0	855	738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1312	0	0	0	7990	1189	0	0	1521	0	1043	0	1051	0	0	966	0	0	0	0	0	0	0	0	0	1371	0	0	2106	0	0	0	0	0	0	0	0	0	0	0	771	0	0	0	0	0	0	0	0	0	0	0	783	0	0	882	30191	0	0	0	0	0	0	0	635	814	0	79039	21081	0	0	0	0	1674	0	0	0	0	1632	0	0	0	0	0	0	0	975	Peptide	0.47826087	1.6086956	0.2173913
6	C23 H37 O11 N5	560.2562	560.25757	0.20751816	560.25635	1331	1920	0	2703	0	1125	0	1214	0	1587	1027	0	0	0	0	0	0	0	0	0	0	667	538	1330	1012	0	0	17801	1591	599	1014	1156	1657	9945	0	1061	0	579	0	0	0	736	0	0	0	0	0	0	1787	0	2005	0	0	0	0	0	0	1105	0	0	1622	0	0	0	0	0	0	0	0	0	0	9795	3941	0	0	865	0	0	504	53657	0	0	0	0	0	0	1049	0	645	1279	80066	26685	1745	5928	2221	0	2241	1640	0	0	0	0	0	0	0	811	0	0	555	0	Peptide	0.47826087	1.6086956	0.2173913
4	C23 H37 O11 N5	560.2562	560.2573	0.46472472	560.2565	939	987	0	0	0	745	0	0	373	0	0	0	0	0	362	367	0	0	265	0	0	0	0	615	336	0	0	4531	0	0	0	0	771	0	0	0	0	272	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	241	0	0	399	0	0	0	0	0	0	0	0	318	0	0	0	0	490	0	0	0	0	0	365	0	35399	0	0	0	0	570	0	0	0	0	890	30012	9600	517	1451	0	0	0	0	0	0	0	0	360	0	0	0	0	0	0	339	Peptide	0.47826087	1.6086956	0.2173913
18	C26 H41 O12 N1	560.27014	560.2709	-0.06247896	560.27014	32512	21268	22431	28328	13768	16702	22258	37659	21158	26142	10511	18369	30974	7574	37484	32622	16609	28234	43839	31423	17393	18705	33973	35887	34740	6576	17093	10255	45405	34679	33461	37597	36684	27864	22952	33328	41040	25542	14338	24577	5333	18594	426	0	0	30233	9434	0	32480	35448	21298	25717	20266	0	59061	24393	17487	29768	33522	6412	33298	13291	26447	24134	13240	22302	19067	14957	5357	13289	0	27958	29497	41207	15980	27429	0	27831	27368	11006	22795	10857	27793	10278	21417	21428	31188	10889	14649	8861	30430	33878	35008	6880	14385	0	26067	33850	17443	17200	19057	39444	21958	33914	12448	24504	17517	0	20934	23670	Lipid	0.46153846	1.5769231	0.038461536
18	C30 H41 O9 N1	560.2854	560.2862	-0.001849836	560.2854	11066	12127	6995	8941	7005	3300	9885	15963	4701	13044	11613	11320	5558	4026	9910	20243	12753	7286	8480	16955	13374	7272	10815	13423	9532	18114	9623	8651	8693	13861	12378	14188	15485	12764	11676	15054	11222	5488	18361	14162	12703	7247	0	0	0	7102	10339	0	13946	9950	8661	10406	2878	0	3900	4242	3546	14722	7449	7219	16885	4289	5092	4249	4930	8482	7934	22171	13629	16230	17216	9838	7652	12421	18270	12646	0	10085	14863	4658	10955	3348	7345	8199	5016	4209	10385	8271	8288	14199	20215	12045	15077	8941	11706	0	9159	8307	2729	4269	4931	17098	8003	12236	4573	6609	4062	0	14016	3637	Lipid	0.3	1.3666667	0.03333333
28	C30 H41 O9 N1	560.2854	560.2861	-0.072374	560.28534	4258	3208	3802	4140	5951	3217	0	4738	6922	4340	6624	961	7430	3304	0	0	0	3328	5902	7896	7767	3876	3437	4361	2707	19630	2058	7745	3585	3937	4090	2592	3484	3697	9858	2536	3837	2133	2171	4273	5023	0	0	0	0	3043	0	0	3566	4448	3947	3521	3767	0	7124	5108	1036	4018	1460	1682	3977	3885	4966	4373	1808	8172	2879	3535	18061	17601	24839	1695	3203	2572	0	0	0	2029	5846	0	1745	1709	2268	4417	8477	3305	6646	2073	2223	3489	3511	5227	3533	2795	3196	0	3895	3207	3472	8481	7220	3942	0	3554	0	4204	3637	0	1520	3427	Lipid	0.3	1.3666667	0.03333333
8	C24 H41 O10 N5	560.2926	560.2935	0.16008562	560.2927	18965	14876	16448	13823	0	11677	0	0	0	5597	25669	0	0	0	0	0	0	0	0	0	0	926	0	0	0	0	0	169761	0	0	0	0	1569	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12084	18838	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	409159	0	0	0	0	0	0	0	0	0	0	1634844	653501	0	67589	22422	0	14784	15173	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.7083334	0.20833333
12	C24 H41 O10 N5	560.2926	560.2937	0.23193495	560.2927	3568	7387	8995	8232	0	0	0	0	0	2398	13352	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	90806	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6812	4420	0	0	0	0	0	0	0	0	0	0	0	0	787	0	0	0	0	0	0	0	0	0	0	0	0	0	0	191184	0	0	0	0	0	0	0	0	0	0	706228	307263	0	38542	7162	0	5280	5361	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.7083334	0.20833333
4	C24 H41 O10 N5	560.2926	560.29395	0.39949852	560.29285	0	0	0	0	0	703	0	0	0	0	0	0	0	0	528	0	0	0	0	0	0	0	0	0	343	0	0	0	0	516	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20614	0	0	0	0	0	0	0	0	0	0	14470	2246	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.7083334	0.20833333
6	C24 H41 O10 N5	560.2926	560.29333	0.11824407	560.29266	2872	3448	3284	4268	0	5904	0	0	0	0	5192	0	0	0	686	905	0	0	0	0	0	0	0	0	0	0	0	86180	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2728	3190	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	208390	0	0	0	0	0	0	0	0	0	0	318048	111074	0	25365	5024	0	3080	3529	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.7083334	0.20833333
10	C24 H41 O10 N5	560.2926	560.2939	0.23112749	560.2927	16277	18273	16861	19742	0	3861	0	0	0	10005	34194	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	164281	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24017	16265	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	367718	0	0	0	0	0	0	0	0	0	0	2264533	776652	0	74525	27244	0	21462	18567	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.7083334	0.20833333
4	C31 H45 O6 N1 S1	560.304	560.3046	-0.016387414	560.304	0	0	0	0	0	2203	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4765	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12467	0	0	0	0	0	0	0	0	0	0	24906	4893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.19354838	1.451613	0.032258064
6	C31 H45 O6 N1 S1	560.304	560.30457	0.010735203	560.304	0	0	0	0	0	990	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5830	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6132	0	0	0	0	0	0	0	0	0	0	27936	9620	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.19354838	1.451613	0.032258064
22	C27 H45 O11 N1	560.3065	560.30725	-6.0406E-4	560.3065	11876	9854	14266	14014	9606	16294	35260	21232	16824	15394	3860	6546	26384	11216	19546	13246	6196	21402	19664	7384	8724	8430	18818	13842	30528	0	15186	4102	28062	14394	26608	16222	30198	12712	8450	17276	23914	15622	0	3734	3258	6110	0	0	0	6920	0	0	18768	16188	13290	14292	5494	0	37038	16144	5520	19560	26254	0	12702	2028	25152	15472	12380	19482	17504	5778	0	5076	0	14068	14506	24042	7316	18840	0	16642	11814	0	9974	5314	44304	9838	11426	10260	15322	7440	13042	9422	27916	25374	19258	3392	6506	0	8546	15300	8988	5458	7404	34646	9338	14120	7502	23852	7318	0	15138	24148	Lipid	0.4074074	1.6666666	0.037037037
22	C31 H45 O8 N1	560.3218	560.3225	-0.037995055	560.3218	9100	11591	11418	9541	8540	6174	10706	19970	8425	7517	10391	6912	5491	0	10889	21714	22047	6905	14387	8889	9977	4964	10213	16944	8985	16121	9762	8422	14473	19256	13869	13632	15699	11565	6948	21846	15987	11196	19275	6144	8877	8365	0	0	0	8813	5950	0	15355	23685	12257	11687	7921	0	6456	6827	4133	16068	4814	9181	18848	5367	7003	6561	4853	6522	7697	18290	11631	16866	14230	14610	10337	14334	17754	14207	0	10051	9060	6741	8885	4200	10894	5870	7723	8009	18523	8906	6481	18090	13231	18532	12203	6735	5380	0	8847	9800	6139	6838	8292	19814	8621	15219	5835	12454	4963	0	10255	5018	Lipid	0.2580645	1.451613	0.032258064
16	C24 H49 O13 N1	560.32764	560.3285	0.11855349	560.32776	4913	8032	3291	4279	2909	4723	4626	2195	3803	3970	8511	4567	0	4104	2142	0	3173	0	0	3370	0	5879	2412	1837	2666	4101	21883	9137	2924	1894	3782	4257	2570	3163	2284	5226	2027	3510	1787	4023	9544	1848	8923	10099	7994	5114	11423	10199	3747	1852	4134	6598	2318	6226	2602	1492	5406	3150	26750	11402	0	7531	10781	1829	4208	6898	5063	2609	7177	3571	12647	3379	3859	3186	0	4936	9873	4056	4968	21409	1994	5435	4442	6413	4031	3280	2142	5428	5056	0	52055	11841	0	6214	0	7987	3543	4791	5181	3195	2329	0	3828	14911	131716	0	2050	10648	2796	3327	Lipid	0.5416667	2.0416667	0.041666668
12	C24 H49 O13 N1	560.32764	560.32825	-0.06457601	560.32764	3824	0	1954	2095	0	3518	0	0	0	0	4100	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	67175	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1782	0	0	0	0	0	0	0	3067	1565	0	0	0	0	0	0	0	0	0	0	22447	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	229302	0	0	0	0	0	0	0	0	0	0	386590	193625	0	19942	0	790	3036	3890	141226	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.5416667	2.0416667	0.041666668
14	C24 H49 O13 N1	560.32764	560.3291	0.1140904	560.32776	3250	0	2376	1870	0	0	0	2278	0	5051	2284	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4305	32871	0	0	0	0	0	0	0	0	0	0	0	0	3463	1232	0	0	0	1717	0	0	0	0	2346	0	0	1975	0	0	0	0	0	0	27311	2579	13032	0	0	0	1536	0	0	0	2560	0	0	0	0	0	0	0	0	103898	0	1529	0	0	0	0	0	0	0	0	246787	66007	0	6806	0	0	1713	0	75302	0	0	0	0	3541	0	0	0	0	0	0	Lipid	0.5416667	2.0416667	0.041666668
10	C25 H45 O9 N5	560.329	560.33	0.26437402	560.32916	5498	3742	4880	5544	0	7238	0	0	0	0	4680	0	0	1287	0	0	0	0	0	0	0	0	0	0	2400	0	0	49247	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4446	4576	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	226203	0	0	0	0	0	0	0	0	0	0	503231	208067	2341	24704	1724	0	4443	6070	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36	1.8	0.2
8	C25 H45 O9 N5	560.329	560.3294	0.010545866	560.32904	0	2403	0	1855	0	5162	0	0	0	0	988	0	0	0	867	0	0	0	0	0	0	0	0	0	869	0	0	23174	0	0	0	0	0	0	0	0	0	0	0	0	0	7763	0	0	0	0	0	0	0	0	1300	2579	0	0	4057	0	8004	0	0	0	0	0	0	6591	3409	4429	17874	2393	0	0	0	0	0	0	0	0	0	0	0	133373	0	0	0	0	0	0	0	0	1070	0	189295	67384	0	8703	0	0	0	2071	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.36	1.8	0.2
22	C33 H46 O5 N1 Na1	560.33466	560.3356	0.41072622	560.3349	40575	42578	48904	46810	0	1739	229379	59629	0	9492	30127	109152	0	0	184568	20482	158722	0	0	4409	2886	0	297832	0	12459	0	434904	37851	143071	84407	116204	102888	293574	92277	7520	82033	236251	181974	71846	0	0	15234	0	0	0	0	0	0	172680	255939	43669	40388	3757	0	0	0	1071	9977	0	0	17760	0	0	0	1600	1425	10574	293046	4176	0	0	163045	76090	205197	1340519	80301	0	121311	0	0	3589	0	0	0	0	2819	0	11452	0	0	0	0	0	0	0	0	40708	45249	0	0	0	327221	89815	0	0	63663	0	0	5891	0	Lipid	0.15151516	1.3939394	0.03030303
28	C28 H49 O10 N1	560.3429	560.3431	0.12132708	560.343	0	0	0	0	0	0	1394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7078	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	183527	0	0	0	0	0	0	0	0	0	0	7580	3571	0	20472	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.35714287	1.75	0.035714287
16	C32 H49 O7 N1	560.35815	560.35895	-0.275495	560.35803	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2536	0	26518	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1726	7961	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	88661	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4498	2443	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21875	1.53125	0.03125
26	C32 H49 O7 N1	560.35815	560.35864	-0.11178692	560.3581	5199	4439	2861	3380	0	0	4663	0	3191	0	2719	3809	0	5556	10496	8101	10180	0	0	0	0	0	16145	0	9379	5115	3092	5425	0	10016	5558	7366	5947	5406	1656	9126	7292	10121	7404	3318	0	0	0	0	0	0	0	0	5943	7406	4031	5214	0	0	0	0	2869	9499	4409	4413	5277	0	0	0	0	2027	2759	7675	0	3352	2453	2756	2896	8971	0	8342	0	3495	14349	0	3157	0	3269	2457	0	0	70092	0	3386	5580	4328	5700	6738	0	0	0	5024	0	0	5231	5754	10580	3771	9715	0	4957	0	0	7898	0	Lipid	0.21875	1.53125	0.03125
18	C25 H53 O12 N1	560.3641	560.3648	0.046477478	560.3641	25037	17857	20391	21049	5702	2632	0	31836	1370	23432	3147	0	5755	3978	0	49157	9036	3018	0	28273	4448	4733	4539	12677	0	0	1167	0	8198	5552	31958	140662	9408	10957	4272	9587	11473	0	12300	26717	10826	3089	9039	673	505	31208	62281	641	72889	20071	23900	18987	2053	5089	0	0	1492	15743	8742	7908	17504	921	3675	62452	2526	2078	1097	19190	0	76342	9625	16711	27284	9832	7646	28939	378	1159	0	0	0	1215	0	0	0	0	0	9370	5443	11298	82692	4572	0	0	24453	1259	18404	20047	5782	0	0	4129	5911	1538693	28037	4928	0	1041	0	2727	Lipid	0.48	2.12	0.04
16	C25 H53 O12 N1	560.3641	560.365	0.108408324	560.36414	6164	4911	5605	5421	0	0	0	0	0	14601	10320	0	0	0	0	0	0	0	0	0	0	2099	0	0	0	0	0	0	0	0	0	0	0	0	5759	0	0	0	0	7199	7488	0	0	0	0	5368	19840	0	0	0	2664	5952	0	2062	0	2599	8761	1576	322940	19902	0	17194	0	0	0	0	0	0	0	1535	0	0	0	0	6760	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3376	0	0	0	0	0	4907	3983	4418	0	0	0	0	82695	708722	0	0	0	0	0	Lipid	0.48	2.12	0.04
26	C19 H21 O16 S1 Na1	561.05206	561.05237	-0.9166354	561.0516	0	3110	3117	3617	6997	2618	0	0	9344	0	0	0	24317	0	0	0	0	0	7597	0	0	3919	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6344	0	0	0	2945	2158	3091	0	11824	11635	0	0	0	0	0	0	20956	0	3110	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12908	0	0	0	2384	0	0	0	0	3585	0	0	3758	0	4909	12272	11218	0	0	0	0	0	6867	0	0	16574	Organosulfur	0.84210527	1.1052631	0.0
20	C25 H20 O15	561.0875	561.0884	0.24166211	561.08765	19188	17725	14496	16508	39490	24976	2304	0	52228	17646	10292	0	89720	17730	6954	0	0	51388	33234	0	16918	50094	10608	0	3360	0	3682	5660	0	0	0	0	3586	0	23124	0	3374	8756	0	6476	13910	0	1352	0	0	19670	40536	2134	0	0	14780	25726	22488	0	49144	49832	19524	0	1958	5664	0	9738	105274	45080	15198	63228	13544	2636	5532	0	4096	0	0	0	0	0	586	3796	21644	29766	16792	23702	2214	0	79050	20412	10292	6568	6496	0	0	4734	6350	56332	38838	0	13448	16210	39718	78442	64600	4000	0	0	33361	6666	41714	0	0	90310	Phytochemical	0.6	0.8	0.0
14	C25 H20 O15	561.0875	561.0885	0.16033846	561.0876	4832	3625	3969	4508	9901	3483	0	0	14913	4256	4052	1268	27939	4136	0	0	0	9326	11175	0	7495	17441	2904	0	0	0	1278	0	0	0	0	0	0	0	8480	0	0	1142	0	1869	0	1987	0	0	0	3594	13915	0	0	0	2509	4116	5576	0	9178	13333	4212	0	0	0	0	1936	29164	14009	5516	19896	3281	0	0	0	1838	0	0	0	0	0	0	0	3880	0	3760	5757	0	0	16483	5682	3734	1668	1902	0	0	0	0	22800	8771	0	4935	2305	18364	26150	23436	0	1081	0	0	0	12845	0	0	21197	Phytochemical	0.6	0.8	0.0
18	C25 H20 O15	561.0875	561.0884	0.17028415	561.0876	11957	6552	10304	11184	20936	9291	2278	0	31596	11094	8824	1544	51421	10952	1894	2114	0	22932	22561	7261	8947	24401	6239	0	0	0	1942	2019	0	0	0	0	2893	0	19664	0	2402	3663	0	5154	5893	1867	586	0	0	7992	20974	0	0	0	10981	7509	12015	0	24345	27669	8263	0	0	1862	0	4102	62079	25880	7911	37515	5235	1531	0	0	3175	0	0	0	1698	0	308	1617	10547	19431	7056	15565	0	1676	35138	17471	7761	3552	6619	1984	0	2018	0	30198	18783	0	7282	5365	26286	39134	42218	1888	1596	0	14805	0	25657	0	2100	47740	Phytochemical	0.6	0.8	0.0
26	C25 H20 O15	561.0875	561.0883	0.12668991	561.0876	4395	6238	5191	4748	7981	5081	0	0	12665	6500	3244	0	28460	3393	0	0	0	19164	11041	5336	0	10565	0	0	0	0	0	0	0	0	0	0	0	0	6714	0	0	0	0	0	0	0	0	0	0	0	9293	0	0	0	4521	6256	4992	0	15430	9368	4114	1615	0	0	0	0	24465	13777	2518	16943	4237	0	0	0	2367	0	0	0	0	0	0	0	4730	7136	4958	5522	0	0	20108	0	2796	0	0	0	0	1785	0	10430	15476	0	2773	0	7376	12278	13144	0	0	0	6620	0	8904	0	0	24350	Phytochemical	0.6	0.8	0.0
16	C25 H20 O15	561.0875	561.0885	0.1561463	561.0876	19160	24002	10468	11882	40764	16190	0	0	51536	19416	11958	2680	86882	12582	0	0	0	34598	34270	6596	18466	49892	10170	0	0	0	0	0	0	0	0	0	3704	0	36684	0	3420	3626	2674	0	5564	0	472	0	0	18486	46286	0	0	0	18242	11908	24166	0	34084	52106	8664	0	2470	0	0	3330	99108	33706	11564	62204	14440	3422	0	0	4554	0	0	0	0	0	0	0	15508	19744	12954	23636	0	2572	71746	22148	13186	7906	8666	0	0	0	0	62680	27800	0	12430	12864	41706	82182	69496	5288	3712	0	31336	0	56406	0	0	74482	Phytochemical	0.6	0.8	0.0
22	C25 H20 O15	561.0875	561.0884	0.16292116	561.0876	8156	4321	7450	5468	21068	10382	1377	0	16469	6052	2698	1351	44823	5945	1986	0	0	19864	12459	3363	4657	16585	6325	0	0	0	0	0	0	0	1124	0	0	0	8131	0	0	3180	0	2183	4759	2074	0	0	0	7482	16418	0	1448	0	4765	4842	9098	0	20866	20200	7627	0	2321	1219	0	3932	42392	17967	3947	24249	0	0	2882	0	2274	0	0	0	0	0	448	1114	10625	11420	6893	13097	0	1166	22760	10046	4365	2842	2511	1401	0	3499	0	15175	16237	0	4234	6918	16353	21612	18622	0	0	0	13120	1599	20074	0	0	31627	Phytochemical	0.6	0.8	0.0
28	C25 H20 O15	561.0875	561.0883	0.19704875	561.0876	3677	4180	2730	5814	7732	6355	818	0	11229	6246	1570	0	21952	4596	2101	0	0	14960	9170	4470	3212	9015	3271	0	0	0	1491	0	0	0	0	0	1335	0	10048	0	1824	1349	0	1418	3042	0	0	0	0	3677	4006	0	0	0	3910	4391	5128	0	14215	12203	2863	1030	1537	0	0	2517	22819	8882	1932	11450	1682	0	0	2304	0	0	0	0	0	0	0	0	5915	3949	4592	4102	0	1211	12498	6984	1615	0	1301	1338	1135	2211	0	7752	10098	0	4330	4743	8993	11732	10453	0	0	0	5299	0	8933	0	0	19303	Phytochemical	0.6	0.8	0.0
24	C25 H20 O15	561.0875	561.0884	0.21991283	561.08765	6346	11986	14958	13654	24010	15026	0	0	30978	10852	4364	2288	73814	8422	0	0	0	29718	26366	5194	8670	27620	7022	0	4000	0	0	0	0	0	0	0	2760	0	14764	0	3818	3248	0	8002	8689	3648	0	0	0	10764	24392	0	0	0	11568	7354	12804	0	42236	36494	12268	0	0	0	2092	7386	54266	23732	9726	35396	5700	0	0	0	5084	0	0	0	0	1954	0	2362	8998	13296	13196	11578	0	0	42686	14716	5894	2600	4064	0	0	7806	0	25070	35560	0	10332	7712	18072	24772	33004	3252	2628	0	10914	0	19100	0	3182	58560	Phytochemical	0.6	0.8	0.0
20	C24 H20 O14 N2	561.09875	561.0998	0.11335546	561.0988	0	4108	6362	7497	7595	1317	0	0	8081	11606	4776	0	8776	3492	0	0	0	8167	11784	7118	8908	20604	6163	0	2792	5502	0	0	0	0	0	0	0	0	35051	0	0	0	0	6650	7453	2794	0	0	0	7599	20349	0	0	0	7354	4388	6958	0	2633	7435	0	0	0	0	0	7194	17239	9667	4742	14053	4340	1277	11482	6644	12934	0	0	0	0	0	0	0	3596	11899	6195	8794	0	0	5700	3456	5116	0	1126	0	0	0	3376	12490	15279	0	4694	8235	7577	8086	10748	0	0	0	14538	0	10881	0	0	17599	Phytochemical	0.5833333	0.8333333	0.083333336
14	C24 H20 O14 N2	561.09875	561.0996	0.17133586	561.0988	0	4794	0	3360	3604	0	0	0	6782	0	0	0	5154	0	0	0	0	5132	0	0	6296	8680	0	0	0	0	0	0	0	0	2514	0	0	0	6134	0	0	0	0	3186	0	0	0	0	0	3068	16926	0	6076	0	0	0	0	0	0	4896	1994	0	0	0	0	3216	22224	6688	0	4504	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7939	0	0	11156	0	0	0	0	0	0	0	0	11576	5486	0	0	3812	3772	7182	5424	0	0	0	0	0	4838	0	0	15542	Phytochemical	0.5833333	0.8333333	0.083333336
24	C26 H24 O14	561.1239	561.12463	0.1689381	561.12396	38925	60562	38888	41949	78909	53034	4874	0	110634	184947	64825	5094	127357	28786	5044	3340	0	91221	63437	70010	113389	262121	22304	0	11511	55982	3106	26169	0	0	0	3020	13643	0	331791	0	12366	11986	11280	62020	75136	0	0	0	0	100276	61004	0	2648	0	43238	42245	41700	0	141996	69823	34970	18793	13640	6090	16553	50524	142850	90744	5292	82786	43056	0	36856	78324	69440	2374	0	0	0	1804	0	3488	32976	94008	44938	80705	4502	35806	105795	15046	22016	16364	10946	13590	8400	30843	28604	393749	289744	0	40158	24266	63408	72539	50496	0	2334	5190	59136	0	43516	0	17696	265737	Phytochemical	0.53846157	0.9230769	0.0
14	C26 H24 O14	561.1239	561.1248	0.1510229	561.12396	19851	19013	19895	17616	26618	11843	4008	3042	28561	57000	31398	6466	42622	12598	6266	3708	2103	25847	24792	23118	34390	56161	8048	0	3563	5842	5731	9100	2794	2028	3732	0	6144	2500	80698	1821	4739	7008	4248	15072	16735	4975	0	0	0	30480	65415	0	4354	3203	18072	13931	15302	0	34605	25072	10580	7202	9088	0	0	12851	49966	26852	7989	35832	8348	6173	0	15266	10089	2975	2152	1606	4687	4250	0	3422	14827	33843	12983	31885	2798	8776	32887	17140	19372	6298	6430	5354	7233	7389	8527	46557	46037	0	20300	17745	26755	40091	29028	5571	6122	4240	37685	5404	26275	0	5990	41577	Phytochemical	0.53846157	0.9230769	0.0
26	C26 H24 O14	561.1239	561.12476	0.11911782	561.12396	5074	4092	5804	3647	8832	4193	0	0	7356	14977	2798	0	24074	3993	0	0	0	17147	11099	8414	6885	12745	0	0	0	0	0	0	0	0	0	0	1893	0	19107	0	0	0	0	5223	2694	0	0	0	0	8387	9662	0	0	0	5947	3900	3996	0	12357	8678	0	0	0	0	0	0	17817	9348	2961	11158	4332	0	0	3657	4445	0	0	0	0	0	0	0	4509	9468	0	8584	0	3038	12212	6510	3222	0	0	0	3000	1549	0	9713	19849	0	4489	0	4546	9997	8669	0	0	0	8772	0	7347	0	0	18368	Phytochemical	0.53846157	0.9230769	0.0
22	C26 H24 O14	561.1239	561.1247	0.15553597	561.12396	9024	13887	12538	15442	25029	12536	2939	3499	31841	40107	10736	1580	39771	7298	5217	3241	2521	41989	18592	16380	13777	38932	8550	3334	3660	5735	2337	6116	1874	0	1547	0	2918	1752	51131	1444	5164	5728	0	9866	10813	3084	0	0	0	32715	37311	0	1606	0	11710	12818	14634	0	33263	26248	10560	2750	5344	3321	3921	13458	51586	22845	6569	30678	6279	1530	6721	12280	10487	1576	0	0	0	0	0	4155	13188	15464	8168	28203	1478	10437	27087	13739	11264	3050	4193	2017	9169	9981	2489	33849	37284	0	15742	12122	19466	30272	29269	0	1924	3322	27841	2331	19963	0	3437	47578	Phytochemical	0.53846157	0.9230769	0.0
20	C25 H24 O13 N2	561.13513	561.136	-0.004489614	561.13513	5740	3982	3984	3962	4530	5444	0	1612	9513	4168	1802	2000	12966	0	1919	0	1452	7770	7650	5611	6198	15143	3044	1790	0	0	0	0	0	0	0	0	3204	0	8760	2230	1993	1924	1573	9406	4344	3171	0	0	0	14149	20371	0	0	0	2370	3857	3324	0	7409	6259	2399	2186	0	1741	1768	6544	13404	8406	2952	6697	2659	0	1452	2184	2428	1647	0	0	0	0	0	0	4319	13399	2716	13063	1271	0	9600	3533	1981	3675	2019	2309	0	6098	4736	12107	18398	0	3159	6483	3062	4027	5311	1701	0	2158	14863	0	4063	0	0	7314	Phytochemical	0.52	0.96	0.08
12	C25 H24 O13 N2	561.13513	561.1361	0.13474898	561.1352	5051	7544	3460	6880	7765	1306	0	0	6491	9821	6091	1437	13839	3123	1346	2140	0	9111	8271	10187	11557	16653	3192	0	0	1162	0	0	0	1912	1937	1255	3215	0	24402	952	1756	2242	2477	11537	12913	2344	0	0	0	15806	20932	0	1638	1163	5496	6032	3371	0	12449	6106	3012	2542	0	0	0	7842	22892	10622	1492	12004	4243	0	0	0	2254	0	1489	1297	0	1398	0	1472	2606	0	2816	12680	1075	2985	8506	2199	3882	3104	3094	0	0	3705	4600	20727	14596	0	6285	4866	4457	5444	8201	1882	1151	0	0	1673	6029	0	2378	14775	Phytochemical	0.52	0.96	0.08
16	C25 H24 O13 N2	561.13513	561.13605	0.13907722	561.1352	9259	8679	9429	11108	11896	3504	1694	0	13044	18007	6915	2651	26450	4150	2509	2027	3748	10554	10356	14139	15213	29269	4581	2796	1893	1655	3339	3468	2269	1790	1299	0	3599	2275	30637	0	0	2925	1847	16709	15687	2176	245	0	0	32409	37730	0	2290	1659	5941	11935	6448	0	16608	13647	3894	4111	0	0	0	11532	26604	15248	3308	13740	3160	3504	2685	0	5424	1414	1753	0	0	0	0	3494	5558	14989	3399	25152	2923	5887	11649	0	5193	5828	2799	0	3769	6919	0	27179	34308	0	8388	8803	7675	7569	10898	3364	1478	2617	22342	0	9899	0	3327	25553	Phytochemical	0.52	0.96	0.08
14	C25 H24 O13 N2	561.13513	561.13605	0.13958083	561.1352	28290	22233	20562	18027	26949	12735	0	4116	35193	67158	19212	8349	50139	9642	5154	13236	0	27672	35265	45438	50745	104571	7821	0	4713	5073	5196	0	0	0	6075	0	11151	6030	83889	0	11004	7809	5478	46338	46569	12177	0	0	0	62574	107277	0	4683	7626	19701	22341	20431	0	49902	29625	11880	0	0	0	0	27177	86469	42492	6504	35760	12576	10746	0	9810	12642	6372	6658	3972	4821	3498	0	7875	14940	66003	11817	66804	4830	13689	31029	12006	7767	8454	11952	21630	15759	16230	21339	87753	60231	0	22992	17502	22449	41661	35946	8658	9711	0	132990	14787	19263	0	8637	66411	Phytochemical	0.52	0.96	0.08
18	C25 H24 O13 N2	561.13513	561.136	0.06467972	561.13513	8668	7062	8449	6283	7392	5646	1990	1575	8405	13553	8579	862	24796	3761	2087	1566	2681	9407	8673	10127	7938	25122	4330	2840	2156	0	2485	3174	0	1795	3613	0	3837	0	18232	0	4647	3186	2350	12946	15833	2424	0	0	0	22667	28538	0	3198	2709	6936	5061	6005	0	14459	9471	2086	2179	0	2761	2750	10510	20395	11408	2872	10276	3095	2796	2534	3614	4796	1931	0	0	1922	0	0	1811	3973	15619	2374	19895	2388	5382	8342	6822	2931	3901	3794	4670	5092	5052	4650	24168	20519	0	6535	5432	5336	9840	9873	1751	1580	3786	23092	2975	5581	0	2538	15467	Phytochemical	0.52	0.96	0.08
18	C22 H28 O13 N2 S1	561.1385	561.1396	0.3728068	561.1387	13640	7062	11207	8392	7392	5646	1990	1575	10939	20640	15809	862	26972	3761	2087	3735	2681	9407	13823	12939	14158	30392	5822	2840	3787	8676	2485	5611	0	1795	5144	0	3837	0	33564	0	4647	3186	2350	16454	15833	2424	0	0	0	24822	28538	0	3198	2709	9864	5061	6005	0	16852	9471	3815	5811	0	3772	2750	12639	23232	13472	4472	10276	3095	2796	11159	16017	16199	4558	1197	0	1922	0	0	1811	6482	18987	2374	19895	3689	9493	8342	6822	5214	3901	3794	4670	5092	5052	7101	26860	24073	0	6535	5432	8224	9840	11988	4182	1580	3786	23092	4961	8099	0	2538	15467	Organosulfur	0.59090906	1.2727273	0.09090909
12	C27 H28 O13	561.1603	561.1612	0.08064835	561.16034	13653	15661	11118	10223	10375	4989	7169	8355	11907	40308	19957	7677	9272	3728	5182	7476	10408	9509	13167	29079	18569	21704	8987	5926	3178	11942	9316	11778	5268	4749	9071	7908	4155	4675	41171	6387	4713	6352	7123	14525	21205	5111	0	0	0	21619	35024	0	7487	7594	8426	12371	5380	0	12025	7632	4991	9506	0	0	0	9943	15128	8767	5318	8808	7279	8450	0	14575	15669	3942	7788	6850	6523	6834	0	5847	12046	0	10660	19793	6798	12318	12034	6975	8274	4993	6450	11752	3237	7267	6694	12550	21969	0	11197	12289	13411	10461	8142	11322	3551	9405	20799	5977	11053	0	4891	14825	Phytochemical	0.4814815	1.037037	0.0
14	C27 H28 O13	561.1603	561.1612	0.11360866	561.16034	34494	28271	30708	31849	26906	14713	16812	20679	29141	103159	51111	12464	27901	17313	16311	21423	15254	31639	29449	58571	52530	68151	17505	17114	11482	32665	15467	30540	16192	14609	16222	20232	13519	16875	123978	11900	15347	15509	12781	37487	48557	8118	0	0	0	55192	84032	0	15647	14999	23693	28198	18996	0	33473	24567	14260	24569	22890	21972	0	32214	42604	24762	13659	28208	15417	16096	32000	49808	39860	13657	15929	12231	10723	16961	0	10856	23248	34333	22896	49075	19208	29544	33554	22731	21610	13180	16221	17945	17344	14794	14436	47419	53836	0	32963	31437	27213	29358	24261	13516	15950	21005	52202	15361	21315	0	13527	35985	Phytochemical	0.4814815	1.037037	0.0
26	C27 H28 O13	561.1603	561.1612	0.21833292	561.1604	6189	7291	7249	3425	11329	5908	0	0	11935	26638	5524	0	24167	4618	0	0	0	13014	11223	18813	15539	10496	0	0	0	8171	0	3554	0	0	0	0	0	0	26930	0	1979	0	0	7450	10010	0	0	0	0	12128	16721	0	0	0	9243	7399	5061	0	15767	11547	5336	0	3118	0	0	5692	22671	10720	0	12035	4731	0	7542	16119	10708	0	0	0	0	0	0	0	6079	5473	4178	10397	0	8481	10714	0	4104	0	2632	2920	3114	5246	0	8770	16985	0	6760	0	6342	8754	11237	0	0	0	8484	2349	10928	0	0	21931	Phytochemical	0.4814815	1.037037	0.0
20	C26 H28 O12 N2	561.1715	561.1723	0.07565956	561.1716	7299	8046	6863	5131	9373	6861	4400	3989	9145	23403	9580	3505	18183	5845	4656	6216	1819	11911	10473	14073	17883	21665	7430	5484	7465	3899	3481	4439	4988	2461	6943	3452	7545	2755	32438	3304	10920	7979	0	21576	9285	5248	0	0	0	26245	13909	0	4334	3899	7875	7223	6738	0	16667	7167	5557	7628	5294	0	3793	12624	22611	14051	3817	13186	7278	2883	3803	5760	4442	7438	3676	0	3138	3465	0	5258	6985	13747	2692	15467	4028	12825	7216	6359	6531	3412	4535	4915	7927	11812	11943	14293	24211	0	5331	6123	4922	7607	8160	6531	3393	8479	18454	5612	6016	0	4729	21387	Phytochemical	0.46153846	1.0769231	0.07692308
14	C26 H28 O12 N2	561.1715	561.1724	0.10981481	561.1716	26666	27547	16485	20727	11932	13032	10680	10954	20658	60603	24802	7376	29440	10425	15219	15415	9000	20268	21541	38986	44597	61039	12369	17320	10934	11671	10759	14597	12254	11280	12045	12628	16473	11136	73625	7847	17765	12362	9245	39334	33515	8779	0	0	0	42781	47874	0	12359	11680	17947	20828	13228	0	27603	15111	8512	15402	14677	12702	21346	38338	25989	24030	5353	25669	12907	12902	0	21678	13787	11449	10658	9295	7331	14298	0	6011	17109	22095	10565	30415	14458	18950	20484	7866	17364	11226	8739	19000	16722	20061	31125	37873	48936	0	18186	20306	12512	18109	11688	13907	7419	17172	45687	14010	13329	0	10138	29303	Phytochemical	0.46153846	1.0769231	0.07692308
22	C28 H32 O10 S1	561.1789	561.17993	0.4423521	561.17914	14856	11331	8524	7561	8079	11994	0	0	10126	36495	39288	0	4908	0	2108	3069	2666	7350	8349	28597	23621	37156	3766	4056	2689	39582	1468	39278	2339	1069	0	0	2920	0	46946	3203	2708	3282	2900	39504	29934	3741	0	0	0	18448	23232	0	0	0	18440	16332	6028	0	6808	7068	3639	0	0	3051	2553	28956	7146	7843	0	12762	0	3306	38188	64220	49574	0	2192	1347	2036	0	0	0	10112	7992	1572	8415	5381	32462	12110	10150	3876	0	4430	4116	30622	9877	5770	34326	47176	0	6660	10333	7818	3824	4494	4272	0	3446	7908	0	5796	0	9606	8647	Organosulfur	0.35714287	1.1428572	0.0
16	C28 H32 O12	561.19666	561.1975	0.012247232	561.19666	93417	80071	70572	79050	57858	36141	48406	57611	73857	179120	104395	44205	73329	34408	52139	69711	41891	67556	80552	141042	134725	91350	54841	59774	48078	106678	40608	76534	50414	52646	64715	57029	67722	50876	437132	59451	62181	44967	50057	102698	91092	35138	1267	0	0	100528	98967	0	63048	55210	87374	88086	45245	0	72123	53179	29466	62294	48534	40355	71293	73136	86390	57922	26865	62059	42578	50220	88546	141755	138290	56013	62526	52699	39035	56836	0	43115	76702	59041	61936	83411	49234	87471	62117	34208	64947	37544	35758	64484	51552	55712	69118	65797	87786	0	78346	73722	58421	62727	59134	60547	38641	58481	71528	54088	55370	0	48529	77984	Phytochemical	0.42857143	1.1428572	0.0
14	C28 H32 O12	561.19666	561.1976	0.0888122	561.1967	48629	42329	33444	34623	24547	15510	26023	26422	25946	77540	54802	21330	21686	9839	23016	31925	28798	17310	30752	57477	54085	51863	25757	35690	19424	42879	20418	30697	24093	31448	25154	36040	27422	18944	84447	25623	25016	22733	25276	39378	51109	14094	0	0	0	39251	58541	0	34339	24542	31824	33019	17707	0	24790	17956	16947	36947	34836	30594	43684	29828	27558	21170	15080	24244	18345	28068	44952	49647	63838	26157	27989	25659	18924	27296	0	20897	33181	31575	29483	32342	22899	34616	25704	15969	25893	15135	16425	40045	17258	29276	27338	32525	32795	0	35821	28256	22821	30862	23048	23879	18292	33609	39171	23288	22883	0	24710	23477	Phytochemical	0.42857143	1.1428572	0.0
26	C28 H32 O12	561.19666	561.1974	0.08860655	561.1967	14358	11071	14068	11925	19210	10908	2465	0	19979	41883	14075	3202	40015	7779	10947	10285	0	25684	25045	30552	32753	18655	9014	5735	6253	21685	0	8886	8746	0	6326	0	5344	3721	47160	0	6626	4549	5575	20152	11277	0	0	0	0	21712	22307	0	4424	0	11754	14642	8922	0	23975	16496	6999	5510	5751	3379	7541	11369	29735	20299	5681	20422	10110	3506	17638	37661	25075	8110	0	0	0	2407	0	4364	15810	6775	12083	12570	4688	12620	25888	6392	16303	3673	4798	5872	7814	7524	7213	9453	21960	0	11464	13608	16203	19780	23860	6095	4281	7804	15721	3951	17554	0	4732	30962	Phytochemical	0.42857143	1.1428572	0.0
12	C28 H32 O12	561.19666	561.19763	0.14292447	561.1967	9835	9374	12323	16276	6481	5365	7296	12897	8336	18896	9880	6948	5609	2438	7642	10912	10690	5955	5765	16352	14010	14917	8720	14567	5311	17061	9951	0	5810	8271	6397	7145	9201	8493	21292	8039	8540	7272	8766	10383	20731	3821	0	0	0	15131	15765	0	12183	10969	7398	11862	5758	0	5687	4927	3785	9802	6581	0	0	9385	7435	6869	4156	6626	6014	15801	17039	10836	20384	7817	9876	11053	12077	12555	0	8128	8520	0	10893	9669	7872	7732	7217	5663	14742	4123	4122	10528	0	5127	10834	5520	10484	0	11941	8487	6980	6081	8324	10569	5572	14259	0	8545	5715	0	5753	8430	Phytochemical	0.42857143	1.1428572	0.0
12	C27 H32 O11 N2	561.2079	561.2088	0.07656562	561.20795	20656	19321	18158	14955	8882	6889	21899	23573	10571	37927	20898	13234	9433	3271	12567	12996	17182	10810	15313	41999	35698	39000	15392	21139	15286	10442	16233	11148	12406	12519	14754	17858	20513	12456	56611	14314	18342	15395	11763	29403	23260	9919	0	0	0	29927	17616	0	14366	11938	16638	14937	12064	0	15895	6152	8662	18330	12883	8584	16274	28942	15636	9622	8154	12953	11320	8364	0	18402	17231	13499	11425	12736	11049	10313	0	11205	15413	0	13849	15060	15682	21530	8844	8188	16513	7720	8726	29025	22342	25234	26887	23205	23801	0	23742	18655	10717	6477	5505	14605	9882	17918	0	15691	7463	0	15683	11618	Phytochemical	0.4074074	1.1851852	0.074074075
20	C27 H32 O11 N2	561.2079	561.2087	0.024782918	561.2079	16057	14015	14699	11328	9558	10396	9568	13026	10642	34147	10317	5358	11367	5717	15303	10917	4934	12739	13256	24673	17535	19860	11130	10289	14808	6393	6420	9642	11288	9239	11433	10295	15494	10293	33540	9933	21360	7457	5453	18743	12455	5737	474	0	0	21344	7492	0	11703	8374	12659	13124	9373	0	18014	8935	5257	12094	13692	3706	15761	16532	15287	10255	7340	9142	11193	5927	4528	15349	6062	11074	10157	6959	5482	8710	0	7716	7893	8706	9187	12318	10892	19213	7860	7177	11627	6632	8918	9008	11607	19193	26926	12064	18998	0	16328	15552	7549	4921	6324	10989	9204	8701	13268	11065	5343	0	15902	21301	Phytochemical	0.4074074	1.1851852	0.074074075
24	C29 H36 O9 S1	561.2153	561.21606	0.276162	561.21545	11810	20938	18180	16388	16726	8428	2183	4787	6907	34179	41990	1491	13857	4756	6546	10334	11294	11589	15407	26654	26420	18082	4431	8948	4971	32598	1995	41092	4412	3727	2718	3598	5777	2849	34661	2667	14672	3258	8278	33860	18840	2928	0	0	0	28298	11877	0	5494	0	10838	14964	7187	0	8990	5961	5184	4884	17570	11798	5425	19112	7591	6340	3441	6881	6153	3993	35784	37967	33416	9716	2975	1877	3540	2895	0	3598	7204	19094	4767	9323	8173	37730	9338	5230	14536	3149	6164	19654	35690	21782	10820	36086	48846	0	10746	19262	5477	5235	4982	4780	2138	19394	24378	12110	7684	0	8182	8002	Organosulfur	0.31034482	1.2413793	0.0
22	C29 H36 O9 S1	561.2153	561.2166	0.45858753	561.2155	25370	12941	12426	17553	9432	8469	4162	5159	12818	39246	24436	4358	12466	6308	4799	8289	5270	10560	19740	40402	37289	28001	6225	7760	7007	53054	0	38884	12430	5074	0	7088	7608	9524	46058	4007	5441	13988	12096	36225	57798	11656	0	0	0	40350	39764	0	4915	2626	13059	24230	9558	0	9127	6710	6376	11486	12307	17234	6203	22859	13263	8776	4208	11730	7894	12476	26509	40467	40188	3288	4307	0	4592	0	0	5887	16706	16502	7240	10632	12765	26135	7715	11292	7585	6972	7136	18446	20964	50546	14135	34026	29898	0	17222	27206	8120	6240	6900	6605	3598	10187	25340	6090	5686	0	5263	11407	Organosulfur	0.31034482	1.2413793	0.0
14	C29 H36 O11	561.23303	561.2339	0.057680685	561.2331	25565	21128	20687	25299	9672	8415	14009	33005	16540	27747	22042	15269	13755	4070	16836	31468	27187	10440	13438	29809	29696	23700	16634	33474	15145	23440	16820	14393	18216	20611	19785	22858	26114	13997	36093	24211	22527	17720	29576	14407	29981	12899	0	0	0	16975	21881	0	23345	20834	25730	22256	10863	0	19223	8937	9352	20547	20939	19474	31228	14901	12693	12987	9337	13828	9953	26099	16276	26103	27049	14045	18214	25561	23206	24426	0	15473	32802	0	26541	15707	24365	16612	12166	7724	26191	6811	16621	40280	15068	12567	24025	10777	13702	0	25783	20895	14036	17424	17368	17229	14981	24800	0	21877	14482	0	17346	10712	Phytochemical	0.37931034	1.2413793	0.0
22	C29 H36 O11	561.23303	561.23376	0.020329751	561.23303	186038	174684	156754	172345	166072	130321	77023	159199	204846	414790	194962	90206	222081	119932	143288	148221	72333	215537	211171	405105	342017	189916	153198	151456	142944	263760	74980	175731	139203	121459	141762	155543	147985	128155	516927	129201	176515	116911	88846	237940	137376	87518	2959	0	0	203628	142020	0	143817	123756	197400	164356	134948	653	241533	160173	95645	148781	141020	63912	142972	169754	261632	181864	82967	189396	115276	75598	204164	475138	308227	141592	120648	119220	66176	123594	0	115687	169798	80282	149147	127158	106377	150336	176916	111479	144925	91282	111099	87157	174650	198192	197955	113900	169583	0	182791	166667	153950	157775	130747	150994	97090	150911	119144	142264	139646	0	113893	243506	Phytochemical	0.37931034	1.2413793	0.0
28	C29 H36 O11	561.23303	561.2338	0.030165	561.23303	11294	7682	8775	8322	10299	6114	4319	7778	10385	22131	9158	2645	21697	5973	6203	8311	2640	15630	15285	20482	22430	9820	8040	9351	5832	19438	3803	9824	6347	3320	5608	4426	7002	5250	27195	3544	6733	4975	5236	12583	6606	4578	0	0	0	7599	7664	0	5258	5873	9445	9349	9694	0	15394	12342	6167	5999	5339	2843	8720	9192	18250	8784	5267	14280	5694	3515	18179	32666	28600	4680	3177	3820	3018	3036	0	3107	10217	5314	5513	6310	3069	7269	11324	5133	10718	3863	4658	4974	7954	8069	10010	6249	11532	0	7671	9313	8234	12639	13734	6864	2447	6360	5918	5974	7621	0	3235	13992	Phytochemical	0.37931034	1.2413793	0.0
26	C29 H36 O11	561.23303	561.2338	0.030004494	561.23303	30786	29656	29827	23210	39637	25093	9305	22506	42819	68957	28967	12964	69877	21505	20544	20983	11768	41065	45098	65848	63790	29679	25304	22366	21448	46993	7893	27684	20120	19985	19420	17749	22446	16496	84872	19753	23236	15832	10335	37292	23178	13338	0	0	0	37209	24280	0	19439	16002	25615	29266	25899	0	49723	30982	16294	22125	15312	7918	23510	25423	47629	36995	13989	37103	20474	10203	50184	86208	76382	19661	16515	16248	9619	10804	0	11686	34289	10838	28168	18714	17146	25189	36542	24076	30932	15047	18257	14341	21158	28622	27953	24360	31649	0	29528	32127	22812	38285	36309	23439	11345	21172	19477	17512	22303	0	13156	48698	Phytochemical	0.37931034	1.2413793	0.0
22	C28 H36 O10 N2	561.24426	561.245	-0.019562911	561.24426	7210	8067	7559	5901	5283	7092	17155	6618	5575	4203	2613	6166	6685	0	17821	9267	3305	5383	9002	7473	5556	7033	9197	9273	6442	0	10466	3349	9570	6341	5283	6399	14624	6550	8458	7625	11711	18371	2908	5674	2988	4469	0	0	0	7237	3636	0	7137	5096	6055	6699	4730	0	9753	2321	12249	7331	7364	3040	8553	5415	4090	4673	33153	2716	4178	5039	2923	5799	3893	6884	3389	4202	3389	6212	0	5668	4973	0	4243	3719	6435	5731	6686	25388	4514	8592	6616	6150	13975	12718	15338	4685	5327	0	7400	4168	7808	0	2524	9501	9049	11782	3286	8693	3071	0	12713	7321	Phytochemical	0.35714287	1.2857143	0.071428575
6	C31 H37 O8 Na1	561.2459	561.24664	-0.46363175	561.2456	15003	10320	3249	9594	1665	3918	24549	4305	0	4170	0	10065	3018	0	22782	16221	19878	0	3735	8658	17781	4842	16740	19365	17868	0	18630	0	13725	17892	20760	19908	18294	0	5532	21543	16452	18330	20868	4284	11559	9630	0	0	0	16434	0	0	20217	16515	9072	12147	0	0	12084	2517	3621	20919	0	0	0	0	0	0	2460	0	10245	0	0	0	0	15984	5067	11193	0	18156	0	16446	5682	35073	12243	1587	9876	0	0	3369	7407	0	8568	17364	15183	10401	40876	8613	0	0	11268	6375	0	3957	0	16032	3171	19179	0	17244	1734	0	14967	0	Phytochemical	0.2580645	1.1935484	0.0
28	C33 H36 O8	561.2483	561.24884	-0.20805539	561.24817	1476	2339	3029	0	2517	0	0	0	1790	0	2745	0	2890	1554	0	0	0	0	0	0	2599	0	2476	0	0	14729	0	3050	2286	0	0	0	1128	1464	1058	0	0	1229	0	1718	4567	0	0	0	0	0	0	0	0	0	0	1771	2092	0	2596	3976	0	1927	0	0	2411	1699	0	1830	0	2809	1558	1520	10938	7675	32050	0	0	0	0	0	0	0	2220	0	1631	0	0	4094	6554	0	2678	0	0	0	969	0	0	1823	0	0	2309	0	1453	5430	6894	0	0	0	0	0	0	0	0	2438	Phytochemical	0.24242423	1.0909091	0.0
24	C33 H36 O8	561.2483	561.24896	-0.099875234	561.2482	9567	13691	12400	10151	10614	5439	2567	8575	15171	17354	29100	5892	9890	10202	6113	10311	10333	9589	15983	27954	19684	9915	7830	7040	7545	85329	4983	27415	6537	7046	9556	7038	10054	6457	24481	7548	8977	4658	6094	21857	22761	9098	0	0	0	11348	9689	0	6167	6032	12187	17254	12608	0	8476	13196	7783	9673	7127	5674	13185	14845	14192	8534	6356	7743	9619	7605	58810	48205	75596	8952	5701	4224	3838	7444	0	6264	16756	8273	13277	6443	6835	24317	16307	10700	13583	8628	6878	12377	7418	10816	13466	6912	8863	0	10505	14089	11833	12509	13738	8535	4316	12785	7369	10206	10645	0	9394	10931	Phytochemical	0.24242423	1.0909091	0.0
26	C33 H36 O8	561.2483	561.2489	-0.10047923	561.2482	7594	8023	6820	7488	7231	3333	0	0	13616	9782	19882	3653	9765	7062	0	7092	0	0	10760	17472	15831	5118	0	0	0	53568	0	19073	6597	0	3613	8655	7204	4158	10774	0	5276	4885	3970	15111	16166	0	0	0	0	7819	0	0	4295	0	9399	9195	6372	0	9946	9577	5574	4585	0	0	6069	9967	5170	6558	0	6944	5378	7013	61378	31666	50719	4623	5156	0	0	4447	0	0	7078	12587	7364	5518	0	16688	12444	7262	8509	5703	5942	6688	3313	0	7630	6938	0	0	9529	6435	8237	14000	13196	6870	0	6905	0	3589	9853	0	4744	6880	Phytochemical	0.24242423	1.0909091	0.0
24	C30 H40 O8 S1	561.25165	561.25256	0.47363976	561.25195	223830	200952	196119	195457	197876	148054	92638	199984	224146	408869	269561	102465	307858	122060	166934	185049	100266	231855	313359	478626	344729	208543	181759	199545	177052	336400	87615	254162	203044	156296	177809	187876	240000	163699	516349	184484	266020	145863	100625	290157	190722	112724	3163	0	0	220778	118079	0	177577	145159	209325	210888	162052	0	291352	194504	104783	197013	188126	103471	192765	199125	293365	220662	83290	238282	149507	108031	273671	601870	378067	165477	151622	137606	80814	146360	0	136011	200970	135249	163224	119040	160261	242625	227974	122378	179951	123276	137971	128386	246839	248145	255708	171915	250908	0	210359	199610	159335	185020	185013	209468	98977	216599	119002	175513	168394	0	147577	279036	Organosulfur	0.26666668	1.3333334	0.0
28	C30 H40 O10	561.2694	561.27014	-0.018505627	561.2694	12228	11728	11249	10343	17130	7680	7623	9752	16024	22499	10947	3838	27188	6471	7144	9797	7742	13258	22145	25495	26131	12209	10474	8595	7092	26631	5694	16911	10679	10683	9698	9380	12646	8413	30021	12213	15442	7489	7830	15630	11567	6844	0	0	0	9841	6718	0	8723	9015	13659	10946	10023	0	23395	14509	5940	12723	9039	4817	11163	8520	23231	13421	4799	18044	7556	7070	24627	46219	42245	6731	5737	6539	4279	5780	0	6155	15721	7016	9981	5557	7807	10950	18489	8479	14180	5387	7432	7078	11015	13302	14018	8891	11405	0	11855	13185	12893	19202	22918	12733	4854	13350	6421	9486	10292	0	6365	17405	Lipid	0.33333334	1.3333334	0.0
16	C30 H40 O10	561.2694	561.27026	-0.004367727	561.2694	21401	26068	20640	23424	12324	7949	21356	22411	15333	17190	12993	15382	9356	6697	19866	25121	35682	7104	16198	18748	19443	15129	16610	31321	18341	17645	24770	12940	18973	23822	21576	26245	31094	12381	20400	27062	20075	17500	38006	11537	19258	13103	0	0	0	15352	18280	0	23541	25109	25893	17353	12869	0	23806	18013	8735	26494	14467	14687	26269	8153	15106	14911	10071	10193	11016	36680	14206	16362	28038	14105	16397	28887	30665	23108	0	14175	32279	12737	23914	11411	18239	11202	17888	12226	27264	8455	13106	40217	18662	20754	0	8397	12452	0	22377	21909	14830	22793	23241	26351	16280	20599	6854	23964	14575	0	26952	10641	Lipid	0.33333334	1.3333334	0.0
6	C31 H44 O7 S1	561.288	561.2888	-0.009092916	561.288	0	1647	978	965	0	2851	0	0	0	0	1892	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	57212	0	0	0	0	0	0	0	0	0	0	0	0	0	574	0	0	0	0	0	0	0	0	1702	1100	0	0	0	0	0	0	0	0	918	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	131615	0	0	0	0	0	0	0	0	0	0	82943	37326	0	9900	0	0	0	1960	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.22580644	1.4193548	0.0
2	C31 H44 O7 S1	561.288	561.2887	-0.1272279	561.28796	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	179956	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37813	0	0	0	0	0	0	0	0	0	0	12126	3805	0	1435	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.22580644	1.4193548	0.0
8	C31 H44 O7 S1	561.288	561.28845	-0.07854368	561.288	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	102558	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	832	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	77017	0	0	0	0	0	0	0	0	0	0	44251	15710	0	1264	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.22580644	1.4193548	0.0
4	C31 H44 O7 S1	561.288	561.2887	-0.46388713	561.2878	617	0	0	441	0	2592	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	702	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	83016	0	0	0	0	0	0	0	0	0	0	38473	14889	0	3356	0	0	0	563	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.22580644	1.4193548	0.0
18	C31 H44 O9	561.3058	561.30664	0.052549444	561.30585	16472	14010	9968	15368	4394	5040	22602	17140	11340	0	8654	9023	6662	5746	11656	25104	40386	0	12250	6754	0	4790	7772	16718	14664	8056	26046	8129	15430	15143	14112	21692	12872	10452	5974	20914	21614	17202	36235	5264	7346	2326	392	647	390	4388	6746	885	20826	12060	10740	12726	6794	576	19246	17792	10360	22031	11334	13281	21570	3552	10720	7998	6684	5892	8964	40394	4098	7430	6304	5518	6288	19484	35490	29926	742	8760	23806	4040	22148	3214	11566	3792	15928	8812	26462	3174	14384	21426	12316	20800	18810	4130	12958	406	16394	11876	8806	28352	30428	23780	9132	11406	2976	12969	12204	822	16154	8232	Lipid	0.29032257	1.4193548	0.0
14	C24 H48 O14	561.3117	561.3125	0.07823608	561.3117	10143	13370	14264	14422	2953	3832	10357	1864	0	19711	54376	1534	1590	12182	0	0	2303	0	0	6370	0	9011	0	4005	0	0	36619	54043	0	0	1172	0	0	0	2566	0	0	0	0	10919	60954	1261	8009	0	0	17001	23473	582	1973	1158	15671	12166	0	299	0	0	1097	11809	134200	96575	152542	19684	8991	0	0	0	5000	3581	45928	8864	10738	0	0	0	0	2054	409	0	0	73893	0	0	1198	0	0	0	0	6260	2138	19574	18763	8555	2562	16336	7061	0	16184	6382	0	0	0	0	0	38634	376018	0	0	558	0	2459	Lipid	0.5833333	2.0	0.0
6	C32 H48 O6 S1	561.32446	561.325	-0.3620535	561.3242	0	0	0	0	0	1071	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38586	0	0	0	0	0	0	0	0	0	0	18658	6403	0	911	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1875	1.5	0.0
22	C32 H48 O8	561.3422	561.34283	-0.07372168	561.34216	4856	5029	5934	6573	2556	3481	8716	6000	4572	0	1437	0	3975	4845	3461	14660	20546	0	7180	0	1718	0	1678	3574	6094	1913	0	0	7258	9609	9658	9227	5702	4597	2168	8742	7476	5634	24325	2047	0	2665	0	0	0	2017	3391	0	11815	4108	4754	4746	3831	0	8759	8795	4124	12005	3728	5525	6487	0	4231	5072	4905	4364	3263	23296	0	2013	2287	2954	7937	6116	0	11063	0	5254	9461	2606	5691	1047	7368	2248	6131	9287	11618	2041	4750	12374	3511	5348	5688	0	0	0	5356	8262	4457	15653	16034	9257	5800	3671	0	6729	7959	0	6730	4053	Lipid	0.25	1.5	0.0
28	C32 H48 O8	561.3422	561.3429	-0.05618383	561.34216	10238	7951	7548	7680	6292	5164	18533	8234	10834	4566	8438	2624	11244	8051	8409	10200	10692	8288	16107	8975	5408	5797	5831	5778	20853	10739	16254	13637	14961	11564	6223	11084	17046	7343	8210	13586	16206	10452	10255	6216	1943	6309	0	0	0	5627	2138	0	9076	7748	8145	7525	7161	0	23651	16394	8083	12947	12341	3834	10613	5996	7988	8604	5482	11124	12546	10548	6426	9146	4152	4936	5370	10569	4447	9285	0	5820	14039	7089	5955	7374	13893	8476	16055	11397	19553	4535	5532	9282	13687	14019	13830	6821	2787	0	8937	7282	8731	22759	21562	18409	6770	12153	7405	12626	14880	0	8064	7266	Lipid	0.25	1.5	0.0
26	C33 H52 O7	561.3786	561.37897	-0.046057686	561.37854	2525	0	2786	0	2118	0	22448	0	0	0	0	0	0	3079	0	0	7202	0	0	0	0	0	0	0	5436	0	16454	2418	0	0	0	0	1517	0	0	5318	3149	0	9531	0	0	0	0	0	0	0	0	0	0	0	2060	2911	0	0	0	0	0	2583	0	0	4501	0	0	0	3325	1477	5706	9770	0	0	0	0	0	0	0	3642	0	0	2491	0	0	0	4569	2381	0	0	6503	0	0	5603	4766	4658	0	0	0	0	2825	0	0	7891	6979	0	0	0	0	2142	0	0	3150	0	Lipid	0.21212122	1.5757576	0.0
20	C24 H19 O15 N1	562.08276	562.08356	0.07279066	562.08276	2364	4281	4409	2501	9953	2681	1508	0	8895	2565	0	0	19315	3978	0	0	0	11377	6430	0	6628	16324	4872	0	0	0	0	0	0	0	0	0	0	0	4324	0	0	1243	0	2205	3919	2841	0	0	0	4354	24374	951	0	0	5922	4064	5644	0	16297	13013	3684	0	1070	1526	0	3833	19568	15056	6724	9610	3908	0	0	0	0	0	0	0	0	0	0	0	2616	12522	2455	9020	0	0	13418	7618	1524	2597	4196	1996	0	0	0	20567	5265	0	3671	4793	7431	12381	14314	2449	0	0	17682	0	6353	0	0	16135	Phytochemical	0.625	0.7916667	0.041666668
18	C24 H19 O15 N1	562.08276	562.0839	0.3811364	562.08295	2615	2396	0	3089	6889	1810	0	0	10171	0	0	0	20208	1842	0	0	0	6323	7424	0	6144	12666	2041	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2950	1420	0	0	0	2768	16004	0	0	0	2300	4371	5017	0	6317	13687	3083	0	0	0	0	1814	18280	5966	3320	6673	1800	0	0	0	0	0	0	0	0	0	0	0	3127	8905	1459	9854	0	0	14011	4236	0	1331	1541	0	0	0	0	12849	8392	0	2130	2382	8231	11549	11214	0	0	0	11194	0	9864	0	0	15545	Phytochemical	0.625	0.7916667	0.041666668
28	C24 H19 O15 N1	562.08276	562.08356	0.09864905	562.0828	5337	4527	4797	6175	8935	6026	0	0	9794	4756	1998	0	26597	2250	0	0	0	14702	11365	4345	7050	11682	2983	0	0	0	1148	0	0	0	0	0	1342	0	7768	0	1279	1114	0	2296	5129	0	0	0	0	6839	16769	0	0	0	5346	5537	8466	0	16819	11667	2889	901	0	0	0	4767	22606	10703	3359	13528	2549	1003	0	1184	1762	0	0	0	0	0	0	0	3417	5018	4305	6743	0	0	14008	4132	3777	1658	2169	1980	0	1223	2807	12320	12983	0	4240	7086	6065	7340	12651	0	0	0	12871	1245	10240	0	0	23089	Phytochemical	0.625	0.7916667	0.041666668
26	C24 H19 O15 N1	562.08276	562.08356	0.13550767	562.0828	3553	5182	3815	5003	11099	5787	0	0	13204	4056	0	0	24102	2227	0	0	0	15637	15988	0	5851	7800	0	0	0	0	0	0	0	0	0	0	0	0	4335	0	1749	0	0	0	0	0	0	0	0	0	17340	0	0	0	3759	4078	6476	0	17436	11643	0	0	0	0	0	3065	20713	12608	2555	10817	4233	0	0	0	0	0	0	0	0	0	0	0	5722	5731	2482	6085	0	0	11506	0	2500	2716	2786	1683	0	0	0	9861	12298	0	4910	0	7350	6646	11249	0	0	0	9156	0	9321	0	0	21392	Phytochemical	0.625	0.7916667	0.041666668
22	C24 H19 O15 N1	562.08276	562.0836	0.08691651	562.0828	4012	2420	3546	3188	9689	3530	0	0	15240	1807	2641	0	15396	0	0	0	0	11512	11173	0	4901	9218	2192	0	0	0	0	0	0	0	0	0	2523	0	4251	0	1695	0	0	1554	4797	2384	0	0	0	5891	22132	0	1318	0	3749	2958	3949	0	13065	12485	2991	0	0	1516	0	2741	14014	12593	4193	7713	1483	1946	0	0	0	0	0	0	0	0	380	0	5028	6931	2172	9143	0	1211	13214	7291	2043	1963	1854	1860	0	0	3166	17559	11620	0	2518	4879	10654	8694	13132	1925	0	0	14822	1809	9387	0	0	16345	Phytochemical	0.625	0.7916667	0.041666668
24	C24 H19 O15 N1	562.08276	562.0836	0.109265625	562.0828	5642	5574	2776	4587	8659	5925	0	1163	8696	3035	0	1312	18815	2099	1779	0	0	13957	9662	1549	4425	9380	2292	0	0	0	0	0	0	0	0	0	0	0	4726	0	0	1538	0	3606	2971	2143	0	0	0	5330	17701	0	0	0	4517	2908	4332	0	13607	9585	3197	0	1462	1234	1345	3133	21569	10621	3760	9902	3436	0	0	0	1941	0	0	0	0	0	0	0	3661	9542	3997	8546	0	0	14162	5675	1651	1289	1232	2431	0	0	1673	13457	13184	0	5225	3532	11203	10413	7888	0	0	0	12383	0	9717	0	0	20933	Phytochemical	0.625	0.7916667	0.041666668
18	C22 H19 O13 N5	562.1052	562.10645	0.089546174	562.1053	8630	0	0	0	12810	3520	0	0	14384	0	5528	2468	24406	2156	0	0	0	7960	9962	0	7136	8846	0	0	0	0	0	2938	0	0	0	0	0	0	23148	0	0	0	0	8732	5410	3260	0	0	0	2762	22588	0	0	0	5653	3554	5222	0	13874	18052	3006	0	0	0	0	8682	6260	5476	0	8089	2536	0	4870	3378	3136	0	0	0	0	0	0	0	0	14644	0	9256	0	0	12300	0	3304	0	2504	0	0	1975	0	11980	20107	0	0	0	11806	7106	10168	0	0	0	0	0	16606	0	0	17798	Unclassified	0.59090906	0.8636364	0.22727273
12	C25 H23 O14 N1	562.11914	562.1201	0.17359485	562.1192	4136	4108	2423	3843	5810	3464	0	0	11275	7978	4792	0	16733	1173	0	0	0	7228	7729	4892	12997	10415	2793	0	0	1520	1354	0	0	0	1016	0	0	0	20074	0	0	2094	2168	4478	14160	2304	309	0	0	8611	21769	0	0	0	5445	3941	2124	0	11648	11686	2403	0	0	0	0	3967	16010	6890	3438	8638	1825	0	0	2783	4118	0	0	1266	0	0	0	985	3665	0	2445	6537	0	1371	10979	2661	2496	1044	3128	0	0	0	3179	17604	10225	0	2029	4887	5842	11050	9989	0	0	0	0	0	8295	0	0	15871	Phytochemical	0.56	0.92	0.04
22	C25 H23 O14 N1	562.11914	562.11993	0.092802115	562.1192	8128	6174	9306	6450	14854	13019	1737	0	19051	12406	4338	0	31817	5146	2684	0	0	24066	18432	12035	16321	23366	5858	3151	0	4419	0	2803	1474	1475	0	0	2498	0	15940	1262	3360	4778	0	9857	8326	3668	0	0	0	26447	44079	0	0	0	8414	6469	10551	0	21554	17416	6320	0	2043	1579	1703	8558	35006	18040	5801	12373	5485	0	2447	4707	0	0	0	0	0	0	371	0	7618	23081	5667	30309	1555	3752	18071	12787	6757	6228	5164	0	1916	3539	3074	30514	39401	0	6312	5647	13976	17031	18561	2998	1589	3304	29668	0	15660	0	2422	22411	Phytochemical	0.56	0.92	0.04
20	C25 H23 O14 N1	562.11914	562.11993	0.112834305	562.1192	12697	10072	12222	12644	22023	13114	4310	3444	24307	22058	12667	1795	53763	9122	1973	2309	0	33178	29012	24289	23721	35124	5534	5160	4671	4558	2658	2800	0	1669	1804	0	4378	0	31745	0	3767	4696	2316	11287	12988	6790	0	0	0	36603	47249	853	2356	1695	15104	11509	13509	0	39426	26263	5467	1577	2745	2170	3899	15240	48754	26955	8300	27846	7237	1912	5176	3983	4737	2434	0	1316	1676	1990	0	3750	10671	35619	6089	37132	2169	0	24950	15045	7404	6676	7253	3650	4850	4638	6771	41826	52338	0	13801	14019	24175	19369	24248	3400	1766	4903	39539	4480	24527	0	2931	38645	Phytochemical	0.56	0.92	0.04
16	C25 H23 O14 N1	562.11914	562.1201	0.12289819	562.1192	27634	24856	24008	29630	37466	19258	2626	4128	54678	64800	27426	4942	87866	9616	11250	7232	2548	52356	56282	45745	65300	96580	15796	14604	2750	7048	4484	6366	3450	0	3114	0	4742	2668	96726	3692	4660	10625	0	37446	35902	13160	1000	0	0	64514	125706	0	3664	3162	20896	23516	22650	0	63078	52440	15148	3996	5186	4044	15744	30150	92588	43206	15334	43986	19104	6270	23386	8012	14676	3894	2946	2608	6403	0	0	3352	23638	88870	13216	66444	4806	19490	45938	20458	18098	9108	12174	0	0	17314	0	108506	93074	0	21382	27194	35748	32888	69690	10687	5014	11668	77388	0	49876	0	0	65122	Phytochemical	0.56	0.92	0.04
18	C25 H23 O14 N1	562.11914	562.12	0.1291344	562.1192	17464	19047	15903	14051	21423	12323	3597	3196	24654	37279	13407	4144	51340	6909	4326	4750	3053	38528	27831	23719	39359	58949	10534	4386	3767	3894	3461	4293	0	0	1788	3898	6378	0	43762	2862	3384	5755	3951	13712	20995	8430	703	0	0	40813	56368	0	3537	0	16555	13457	13358	0	36749	26215	6351	3575	5022	3839	4554	21045	47227	21185	10922	28852	13535	3193	7438	6976	9876	0	1491	0	1951	0	0	3183	8349	37981	8871	35817	2647	9222	39789	16845	9473	7499	7875	6041	0	6161	4499	56382	61033	0	20232	12004	22636	25077	25502	5082	2063	5524	44135	5597	24186	0	1792	41600	Phytochemical	0.56	0.92	0.04
24	C25 H23 O14 N1	562.11914	562.1199	0.10859197	562.1192	7395	5800	7138	4474	8322	5484	0	0	9385	16525	2842	0	28995	2463	3719	0	0	16442	8345	8665	9987	21625	5081	1738	1390	0	1166	1051	0	0	0	0	0	0	11966	0	2091	1352	0	6031	5636	3253	0	0	0	15812	27398	0	0	0	5078	5008	4598	0	17371	10432	2662	1241	0	0	0	5626	21012	10373	2638	10245	2491	0	0	5202	3384	0	0	0	0	0	0	2134	4533	14941	4100	19612	0	2170	9103	5901	4084	1875	3174	2549	1550	2987	2943	16823	21367	0	5465	4646	7662	9129	9667	2096	0	0	17321	1665	8827	0	2005	20326	Phytochemical	0.56	0.92	0.04
26	C25 H23 O14 N1	562.11914	562.1199	-0.027953358	562.11914	6415	3774	4749	5266	4056	5203	0	0	7588	12866	0	0	23127	0	0	0	0	15884	8077	9041	9146	15565	0	0	0	0	0	0	0	0	0	0	1557	0	11253	0	0	0	0	7538	4296	0	0	0	0	13174	23889	0	0	0	4329	5036	3735	0	11773	6832	0	0	0	0	0	3918	20871	7501	3045	9704	2399	0	0	2808	3300	0	0	0	0	0	0	0	4290	8973	3704	11719	0	2452	7532	0	3507	0	2238	0	1470	0	0	14725	19194	0	4875	0	4265	6818	5792	0	0	0	12181	0	5535	0	0	16998	Phytochemical	0.56	0.92	0.04
14	C21 H27 O13 N3 S1	562.1337	562.1342	0.12833162	562.1338	0	6078	5341	4313	12850	2326	0	0	4763	15385	6094	1630	35224	4338	1684	0	2382	12069	10146	11077	14063	10099	1514	0	0	2921	1178	0	1332	1304	0	0	1480	0	21193	0	2648	0	2506	7047	0	1857	0	0	0	14902	10999	0	0	2314	0	2704	2143	0	11619	16027	5003	4005	0	0	0	7013	22688	0	2621	13869	4412	2374	0	7652	4653	2852	0	0	1623	0	0	1660	9583	0	1943	17289	1700	1174	12963	0	8764	1874	2977	0	0	0	3758	15126	15298	0	4798	0	3382	16129	8201	0	0	0	0	1452	10116	0	1797	15766	Organosulfur	0.61904764	1.2857143	0.14285715
18	C21 H27 O13 N3 S1	562.1337	562.13495	0.44608632	562.134	22751	11896	11659	4283	27306	14201	0	1883	41239	56466	14862	0	59042	17041	0	2237	1736	34317	34052	37510	21277	54967	9364	2496	1981	10597	0	1592	0	0	0	0	0	0	78942	0	10768	0	1580	19291	19729	1032	0	0	0	33840	40940	0	0	0	17604	12755	10793	0	27924	23373	8792	0	0	0	0	20894	66652	28826	7364	18139	10936	0	9435	11857	23750	1305	0	0	0	0	0	1054	20512	31234	1219	45390	6120	9000	38913	15108	10845	6500	7055	1915	0	8928	0	48351	35928	0	17088	13648	25180	31717	22207	1871	5616	1965	33467	7752	19382	0	6636	57644	Organosulfur	0.61904764	1.2857143	0.14285715
28	C22 H27 O16 N1	562.14026	562.1412	0.13477717	562.1403	2330	2156	2049	1584	2095	2765	0	0	3328	2744	0	0	2115	0	0	0	0	3747	0	3648	6232	3599	0	0	0	0	0	0	0	0	0	0	0	0	3365	0	0	0	0	2946	1996	0	0	0	0	15747	31980	0	0	0	0	1630	0	0	0	0	0	0	1243	0	0	5245	0	1701	0	0	0	0	0	1934	2410	0	0	0	0	0	0	0	0	5612	0	14526	0	1888	0	0	0	0	1141	0	0	0	0	4001	2966	0	1271	2380	2042	0	0	0	0	0	33162	1298	0	0	0	3805	Phytochemical	0.72727275	1.2272727	0.045454547
14	C22 H27 O16 N1	562.14026	562.14124	0.08550784	562.1403	9200	10335	7704	8637	16675	9383	0	5211	24716	8822	4325	4404	58904	5248	11043	4873	9654	28176	30149	6151	16464	31295	12895	7295	3181	1704	3294	0	2599	2982	2915	0	7608	1789	9959	3410	5504	5346	5032	7594	15153	12687	0	0	0	40608	104531	0	0	3562	13888	7953	14111	0	42724	30247	10064	3921	7259	0	0	14518	39916	27256	10442	22432	9963	4419	0	0	1866	3095	2961	2738	3437	2273	0	7410	9563	27451	7769	36621	0	1338	36200	15171	6897	5873	9096	4539	0	3182	5299	37129	17642	0	12207	10468	21124	22132	32230	7464	7981	0	97254	5590	26454	0	1805	36130	Phytochemical	0.72727275	1.2272727	0.045454547
26	C22 H27 O16 N1	562.14026	562.1413	-0.16653706	562.14014	2224	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6101	0	0	0	0	0	0	0	0	0	0	0	2391	0	0	0	0	0	0	0	3705	0	0	0	0	14740	38166	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4120	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17810	0	0	0	0	0	0	0	0	0	0	0	4624	0	0	0	0	3487	0	0	0	0	0	23304	0	0	0	0	3525	Phytochemical	0.72727275	1.2272727	0.045454547
18	C26 H27 O13 N1	562.1555	562.1563	0.04303562	562.1555	146128	111999	127157	124723	196610	105173	55102	51841	170032	501423	186378	32386	265710	54768	68291	79274	36009	166789	163500	262138	237411	255358	70797	48560	54912	90944	17341	115265	10517	40166	54255	55525	94555	7173	555051	17157	61819	68020	13883	217241	122958	44047	1306	0	0	365274	310716	0	60500	48628	143358	137619	87114	0	219312	94878	72367	57948	62740	14665	83573	140011	247271	143401	56915	134707	84876	34193	92807	158304	187645	77883	28444	32200	15334	8153	0	37042	123756	143998	88150	291379	36327	144112	159300	96168	107223	53782	74706	28159	53924	112265	52256	204730	336933	0	107962	130291	113014	121466	142229	62536	54060	22307	188394	31871	93114	0	58946	230836	Phytochemical	0.5	1.0384616	0.038461536
22	C26 H27 O13 N1	562.1555	562.1563	0.086143166	562.1556	13679	14583	13012	9852	13624	11921	2661	2294	24423	57866	20284	1703	42284	8608	5540	4146	0	31535	22789	31990	37935	37558	7328	2962	4736	13750	3481	10409	3082	1935	4548	0	5435	2632	57492	2324	6044	4240	3197	24787	13810	6095	0	0	0	52013	44308	0	2523	5018	14653	15979	11385	0	27856	21346	7362	5604	5261	2909	4169	23070	34752	21830	6142	17110	9211	1582	15515	16942	11691	3878	0	1348	2134	0	0	4821	9738	17259	5977	33229	6763	15514	22237	11912	6548	4779	7600	3268	7709	12783	3785	33863	51441	0	13852	14920	19223	19011	17191	4249	0	6347	45725	4689	18493	0	4489	35896	Phytochemical	0.5	1.0384616	0.038461536
12	C26 H27 O13 N1	562.1555	562.1565	0.21294715	562.15564	9821	8892	10615	8091	9120	6079	2959	5332	11109	34057	17456	3008	16399	4147	3143	6308	0	11832	12829	22419	27954	36426	9213	6674	3018	9316	4378	0	3461	3439	5891	3764	6524	3389	54292	1455	4576	5476	3540	23001	23595	5188	0	0	0	21662	38120	0	6285	6006	9932	9324	8495	0	11605	12228	4663	4447	9794	0	0	10998	22238	10108	3775	12968	5325	6163	0	14292	17458	3626	3435	2425	3616	4013	0	4962	6701	0	6261	18188	4245	6547	15251	5425	8484	4159	4149	5945	6888	6109	6795	30961	24816	0	14544	8404	12920	11430	9565	6822	4454	7110	19205	6302	12063	0	4863	21700	Phytochemical	0.5	1.0384616	0.038461536
14	C26 H27 O13 N1	562.1555	562.15643	0.15104398	562.1556	22966	19258	18449	19021	17467	10089	6126	5649	21134	73271	30625	5531	36706	11433	8571	9532	6702	28654	27628	48287	48641	61765	9068	10275	5181	19601	5839	19843	6495	7091	6291	0	10499	8692	90479	7920	6439	9538	5074	35603	48741	7673	0	0	0	43183	65285	0	9653	7826	17534	15189	9324	211	32582	19876	7691	7631	7077	7944	0	26815	36684	25488	8379	24010	15402	5870	26007	24233	30324	9899	3102	8511	6501	6381	0	6195	11947	29364	9680	34601	7016	19802	22378	12941	14319	8282	8845	9845	6894	15139	13873	49110	51141	0	18671	19160	14713	20038	13953	12634	7197	17484	53200	11431	15615	0	7188	32614	Phytochemical	0.5	1.0384616	0.038461536
16	C26 H27 O13 N1	562.1555	562.1564	0.0334585	562.1555	134893	137756	45158	147603	113270	80274	81295	77729	142879	229297	137750	67693	209791	54617	108214	83408	41490	292098	290860	228111	215385	256660	140452	92076	82848	52364	73044	58208	50408	55492	65970	5833	79966	65236	244940	70541	123084	68268	79115	142903	154794	57823	684	0	0	291899	233128	0	92650	80440	153834	112724	37650	0	182652	136673	66852	92292	34941	7169	98449	131604	234285	158203	55027	57358	91617	77133	25107	64227	114900	99436	7668	69476	72628	43282	0	23272	121127	57025	88145	171116	69102	104544	152390	34658	118753	69731	23128	0	102898	135523	0	187058	297884	0	131332	131355	128333	115921	124546	107914	49882	18943	263210	14061	154755	0	82010	222325	Phytochemical	0.5	1.0384616	0.038461536
24	C26 H27 O13 N1	562.1555	562.1563	0.13088104	562.1556	5916	4873	5138	7498	9849	3642	0	0	11284	33870	5177	0	22092	5186	3694	2692	0	12815	10471	17146	23016	17715	3588	3639	3170	7535	1180	4197	0	1476	1229	0	2075	0	27842	0	3102	1486	1414	16871	11418	0	0	0	0	29133	28313	0	2144	1778	4668	7559	4836	0	13326	12109	4107	2694	2228	0	3004	10179	17609	7352	2036	12271	4558	1606	5544	12970	8954	1037	0	1497	0	886	0	922	7960	11606	3727	19264	2523	7221	14967	6990	4152	2605	3388	0	4115	4110	3684	9117	30942	0	6988	8819	8414	8901	9400	0	0	2769	26000	0	12288	0	2726	23382	Phytochemical	0.5	1.0384616	0.038461536
20	C26 H27 O13 N1	562.1555	562.1563	0.046442006	562.1555	25464	23075	23209	21969	28491	23723	5163	9803	36156	80342	32185	8469	64821	15488	16435	11082	3754	40752	43055	58903	67736	64410	12375	15284	15337	24800	7542	19460	9005	4896	10224	8672	8139	4994	103147	9254	8485	6729	4849	43111	30038	12217	1087	0	0	77799	71374	0	10046	5832	20045	31293	18079	0	44438	35359	13233	15476	9961	3225	10541	32403	57030	42441	12834	33255	12239	5982	19308	24964	23255	9604	3332	6253	4078	4853	0	7862	18467	33808	16124	58641	9299	36165	37555	18950	17418	8888	11712	7740	9871	19631	23557	50684	71451	0	25535	22376	29012	30533	27236	13471	11012	15072	57883	9459	29016	0	10902	54943	Phytochemical	0.5	1.0384616	0.038461536
8	C26 H27 O13 N1	562.1555	562.15656	0.08859674	562.1556	7815	6441	5748	4449	5652	2406	2451	3900	8604	18813	13383	3123	20086	0	2793	2162	0	7948	6867	14361	15690	24969	5931	0	0	4827	0	0	0	4056	5895	0	4338	0	28572	0	0	2310	6099	10455	14772	2034	0	0	0	17112	17916	0	5538	0	6090	4932	4482	0	6837	9402	2262	0	0	3492	0	5208	11151	7281	0	7488	4524	7587	0	5022	0	2514	2343	0	2733	3168	0	2283	4020	0	3585	5766	2259	2661	7425	0	6069	2691	2562	7673	0	0	10371	10941	12618	0	7596	0	5418	10464	12042	5082	2787	0	0	4605	6675	0	1869	10271	Phytochemical	0.5	1.0384616	0.038461536
10	C25 H27 O12 N3	562.16675	562.1677	0.18229005	562.1669	20042	22682	14524	20400	15854	9406	10724	17092	21912	18060	14328	15166	24194	5078	12530	23878	17050	15636	22658	29838	33740	36258	13172	19152	8596	4914	10094	7752	12432	12748	13048	13388	15702	12516	33606	12238	20502	14554	18228	29030	27998	13288	0	0	0	27796	46784	0	15406	13418	19514	22960	12332	0	29248	12152	9424	20773	12408	13772	17656	16400	36020	24764	9076	18104	5602	16274	0	7950	9844	11398	12816	12518	9598	7596	0	9528	19118	11934	10370	22614	12696	15092	17828	12514	20942	12850	9910	27528	8608	28582	35930	30738	25574	0	18926	28236	11422	18384	18648	23265	12714	25172	0	17764	14152	0	14692	28490	Phytochemical	0.48	1.08	0.12
14	C23 H31 O15 N1	562.17664	562.1775	0.005042388	562.17664	30686	25438	32263	26184	22740	20249	14197	26892	37547	26960	11801	15616	57988	12798	33564	29878	17542	43898	40958	42115	43008	56283	39040	26445	16574	5601	10992	0	25142	25835	20453	16894	25803	14493	39570	28452	23487	22955	11658	29578	24457	26987	0	0	0	115406	149388	0	18002	23559	22746	22002	17756	0	62757	30127	11391	18488	28188	13403	18387	35085	50813	36580	13042	30240	22856	15337	0	10903	13947	17409	17572	23395	15426	20061	0	20904	20451	47844	23083	83805	9381	13428	33228	25565	18524	13615	14623	14487	9596	16984	34687	52126	52596	0	17220	34025	31216	19249	30361	30395	14488	27082	160285	20229	26741	0	12528	48414	Unclassified	0.65217394	1.3478261	0.04347826
16	C23 H31 O15 N1	562.17664	562.1775	-0.025023185	562.17664	39956	32801	30814	30369	25126	27846	12074	35320	56307	31109	14829	16772	73641	13662	41762	26132	12863	72890	66698	51891	49101	82280	41398	27348	23023	7734	10799	6711	25679	28802	31038	19499	31484	23742	38954	25450	27841	20467	9290	36957	29299	24643	887	0	0	153607	160296	0	27030	27782	33799	38380	24084	0	79384	36258	17256	24157	34523	11840	27792	41608	63220	39574	13888	31630	23786	9968	13355	11847	10420	25588	21231	32438	14600	18618	0	24172	20365	55448	20263	120877	12596	18203	36789	23422	14695	13167	22980	0	9725	30485	0	49781	62161	0	34737	45004	27909	19861	29312	31787	16390	35685	172428	25958	34018	0	10686	68166	Unclassified	0.65217394	1.3478261	0.04347826
24	C27 H31 O12 N1	562.1919	562.1926	0.059707284	562.19196	16975	9863	10921	9239	18921	10640	1633	8447	21773	51578	13354	3612	27788	8908	6725	8734	3328	24988	18243	31794	35156	20723	6837	6666	5558	23531	2112	8894	6019	3251	4362	4943	8765	3530	48107	3590	7601	4857	3724	26317	14973	5285	0	0	0	32492	28139	0	4436	3730	15973	9746	12374	0	19539	18369	5406	6257	8587	2737	8478	17066	29432	13106	5658	17150	5236	3790	22192	40522	34842	5359	5711	3832	0	3482	0	4664	13076	11983	7463	18881	3204	14524	18793	6422	8166	3551	7037	3432	6188	9977	13112	15837	28950	0	13769	11538	10681	14982	11360	5443	2476	4396	25143	4370	10138	0	3288	31893	Phytochemical	0.44444445	1.1481482	0.037037037
20	C27 H31 O12 N1	562.1919	562.1926	-0.012122557	562.1919	375528	414565	417752	340259	343996	313911	156819	364451	545563	1059960	363581	174881	611924	219126	377830	237338	80870	610798	516287	883981	687227	576990	263049	285281	370784	491203	143425	326118	305748	271862	269468	233683	376588	256996	1281217	269254	366732	204342	104081	635915	316537	175245	4360	0	0	925964	536589	0	291475	255348	412171	344064	249016	0	731328	320013	166229	264905	348784	107248	259716	413516	706672	404445	149860	388164	235489	154421	369312	770888	651987	329418	249517	271197	152301	224714	0	227415	291721	215144	266831	472026	204054	384863	368206	230568	197478	117821	216639	110530	243537	385573	309367	295169	532226	0	365233	375335	323416	236228	278521	261178	161873	287849	580873	227760	340200	0	186648	651102	Phytochemical	0.44444445	1.1481482	0.037037037
12	C27 H31 O12 N1	562.1919	562.1928	0.13766703	562.19196	13589	16019	16355	10588	9148	7038	8145	12271	8636	37144	14733	7158	16204	6134	8697	10230	7907	11311	14107	34841	39722	27276	10253	10055	7275	16252	5711	12473	7910	7931	8082	8660	13800	6938	66762	10836	10044	6409	10516	31614	27491	6833	0	0	0	23181	15615	0	8680	9697	16178	13907	8817	0	13618	10002	4835	11954	7321	11396	0	16528	17792	9318	3256	12528	7181	10758	0	23310	17094	8662	6657	7027	7700	7835	0	6197	11341	0	9587	15736	6625	15448	10562	4621	14144	3706	5839	24488	10235	12833	16231	26551	23217	0	13092	14706	9266	7737	8975	9221	5872	11454	0	7810	6151	0	6008	11926	Phytochemical	0.44444445	1.1481482	0.037037037
14	C27 H31 O12 N1	562.1919	562.1928	0.060829975	562.19196	28820	26849	23982	30445	10781	12645	16543	23866	23623	86466	45582	15093	23985	7966	17455	25814	16933	24009	30519	66133	62762	68586	21050	24593	16479	30724	10474	34078	16826	13159	16479	24825	23151	16574	97251	17776	22055	12914	11125	41935	48672	10782	0	0	0	46732	44363	0	21566	23000	18792	25200	13719	0	25358	11408	8315	22216	24891	13176	0	39307	27014	20955	7193	20004	16855	12167	28640	42271	39850	16963	16249	15982	15130	17893	0	11861	19563	23594	15013	27498	19352	31965	21138	14554	17760	13576	14102	23556	20732	27724	33701	35351	36369	0	28341	27726	15112	15046	18055	25540	15056	23642	36392	22721	14565	0	17284	19712	Phytochemical	0.44444445	1.1481482	0.037037037
26	C27 H31 O12 N1	562.1919	562.1927	0.06634965	562.19196	7408	4911	5929	5220	8334	4771	0	0	6486	24919	8435	0	15986	3721	0	0	0	11401	8352	19393	22642	8880	0	0	0	10103	0	4878	0	0	0	0	2510	0	27167	0	2958	0	0	11110	7904	0	0	0	0	14671	16763	0	0	0	6459	6199	5902	0	6326	0	0	0	0	0	0	9632	14703	8754	0	9158	3962	0	9239	22029	18546	0	0	0	0	0	0	0	4481	5818	4736	9646	0	8097	9025	0	3714	3769	0	2280	0	4071	0	9064	11796	0	4625	0	5867	4739	10035	0	0	0	8032	0	7793	0	2733	18234	Phytochemical	0.44444445	1.1481482	0.037037037
22	C27 H31 O12 N1	562.1919	562.1926	-1.07712E-4	562.1919	32130	29913	29173	28519	30823	22935	8182	18271	40345	91621	36309	8813	54126	16374	15303	16667	7030	52405	45572	73217	63555	41906	17266	13928	17440	50473	4655	32685	18952	10470	10337	10683	14718	14216	103471	17070	19080	11359	7057	48736	36212	14129	0	0	0	65950	60577	0	18585	14790	26435	26143	25479	0	39657	34288	15746	17737	12402	8166	13657	36704	45520	31578	11658	33217	17159	12053	38057	66950	45350	12796	7786	12503	8482	12697	0	8260	19464	22369	17082	42545	10142	29885	32555	23590	25424	11828	12028	6959	21380	20182	31815	36340	48745	0	24554	31402	27785	26424	26025	13017	7806	16375	45310	14611	34085	0	11838	51710	Phytochemical	0.44444445	1.1481482	0.037037037
16	C26 H31 O11 N3	562.2031	562.2039	-0.060208615	562.2031	87858	108189	103923	93708	82806	38451	79389	108150	109737	167910	62048	56790	157545	29331	90891	101844	68940	100650	103992	144078	104532	150198	151662	111573	110829	71484	49323	66312	93249	70638	86790	63444	89823	57669	182568	95700	73128	139302	69633	120678	88635	102654	0	0	0	114627	118146	0	102375	78258	150414	89451	72342	0	150069	64413	28536	94161	183087	41709	111924	83667	78582	75963	34659	74937	66462	52887	43755	80837	85685	103857	83211	142287	53697	86487	0	115944	110577	32289	119394	88638	94068	74943	76287	28785	121650	58074	55353	0	96291	92034	202053	64644	157620	0	84735	139791	53631	52167	59463	83532	62049	91605	65253	105306	61518	0	177763	90624	Phytochemical	0.42307693	1.1923077	0.115384616
10	C26 H31 O11 N3	562.2031	562.20404	0.09795371	562.2032	16958	20900	19065	17771	8215	8008	12405	19722	14219	23602	6779	9581	15723	4803	15234	20350	12278	10410	15431	22302	19777	27579	14219	27312	14026	2415	11843	7085	15538	16626	17981	23332	21562	17089	27840	15540	21167	13261	18137	22307	15696	10580	0	0	0	21013	20601	0	19905	15501	19432	19278	9091	0	14683	11365	7920	24727	13316	14696	19631	12248	11095	11724	5833	12397	9103	14903	0	9809	6084	14571	11398	13967	12354	15615	0	11820	19392	10768	15347	12100	15586	10237	11579	7652	19634	11696	11855	29746	24788	21204	41069	14740	19166	0	17864	20279	7845	11472	13166	21166	11073	24449	0	20349	9833	0	16510	14747	Phytochemical	0.42307693	1.1923077	0.115384616
8	C26 H31 O11 N3	562.2031	562.2041	0.09065894	562.2032	12265	10298	9518	10320	5079	3621	4428	9959	5152	12185	6029	4882	7604	2067	7135	11924	10603	7475	6747	9856	11456	19381	7748	12583	7109	919	7865	2187	7962	6953	9027	12232	10389	9013	14583	7856	12338	6928	9855	20087	14872	4950	0	0	0	14289	8415	0	13419	8720	13337	8670	4675	0	8973	5997	3190	10577	7495	9604	13491	6216	9489	7048	2568	9202	5167	12952	0	4165	5712	9246	7758	6866	6360	7783	0	5948	13253	5875	7174	6034	7583	5922	4907	0	8151	5405	6887	17491	0	11234	27083	7401	13898	0	10640	9278	4105	8595	4875	9669	6876	12114	0	10276	4709	0	8561	8570	Phytochemical	0.42307693	1.1923077	0.115384616
16	C24 H35 O14 N1	562.213	562.2138	-0.0770008	562.213	33174	33396	33886	43520	26812	24703	24991	51948	36909	54201	21857	21053	58173	11574	53867	37795	18007	62493	43553	71829	61898	47776	49866	55834	40635	10509	16396	18111	49083	46901	43590	40141	46059	36509	70331	48379	43581	34886	15006	48200	17168	24506	797	0	0	103047	48682	0	37365	44659	37474	39599	22301	0	79677	32459	16623	29694	50081	10186	43793	32505	47164	38482	16110	34917	28153	10361	9338	21594	10936	42696	38718	54933	16605	29810	0	37311	29185	33371	25782	59268	25136	25741	29278	22781	26227	19072	26075	0	22733	39019	76273	37178	56964	0	44236	59889	27618	15306	28105	49400	27351	52226	81792	25758	25156	0	21991	41303	Lipid	0.5833333	1.4583334	0.041666668
14	C24 H35 O14 N1	562.213	562.21387	0.009330574	562.213	25150	19571	22255	21862	11219	10531	18479	37408	22980	25638	15216	16041	25018	6740	30619	23048	17991	31562	32180	35631	30416	32257	35139	32259	26932	8842	11470	9608	32862	28177	25846	26783	21774	20342	39255	29305	26333	23396	15026	25328	11332	16726	0	0	0	59194	44074	0	22626	34616	17008	19837	15858	0	37648	19841	11208	20247	41381	13136	28262	25185	26584	21325	9287	20024	16172	12269	0	9785	9160	17239	22379	40682	19658	21057	0	21473	21716	19763	21770	31924	14286	14628	19706	18295	19559	10282	12382	11327	11037	14736	29005	18310	27677	0	20197	33906	12172	11658	17592	29687	15824	34687	73473	21375	21996	0	16317	21013	Lipid	0.5833333	1.4583334	0.041666668
14	C28 H35 O11 N1	562.2283	562.2292	0.06750856	562.22833	22845	20304	25410	24953	7328	11946	14399	24377	10548	36790	23471	11862	14251	6939	15803	26575	15184	12297	14795	44275	39840	31465	15769	28171	16485	30524	11958	22471	16459	16925	14996	17946	17854	14478	55431	18587	18559	14411	21232	24175	32456	9821	0	0	0	26126	24904	0	17426	16089	18416	21208	11534	0	14288	8888	8280	25320	18444	13941	24968	19918	10731	15102	5560	12486	11812	22832	27444	36414	28740	10389	17107	18783	13503	18141	0	11943	15977	17078	9943	15269	13046	17604	12228	8219	20348	11949	8421	25057	21549	22752	30226	15772	31944	0	18315	19968	10874	6796	6502	22291	11668	28174	0	19171	7228	0	15859	16238	Phytochemical	0.39285713	1.25	0.035714287
10	C28 H35 O11 N1	562.2283	562.2292	0.17038366	562.2284	8095	6413	5117	5417	2192	0	2613	5171	3141	19118	6461	2645	3872	0	2928	5325	5306	5319	3198	17859	13679	10045	2003	5345	3804	7074	4140	4181	5046	3822	5409	5250	9723	4307	23633	6744	5595	2806	3791	13148	7980	0	0	0	0	4646	3810	0	5128	4172	7935	4382	3773	0	6040	2077	1595	4462	0	4785	0	8635	4601	4420	1563	3672	3389	2973	0	9320	7696	5628	3736	3767	3587	4037	0	2486	4578	0	2789	4241	2153	5981	3932	2373	5299	3016	3112	6094	3710	4266	6586	4860	8882	0	4993	5945	2456	3473	1839	3930	2409	5848	0	5016	2500	0	3012	3832	Phytochemical	0.39285713	1.25	0.035714287
20	C28 H35 O11 N1	562.2283	562.22906	-0.016013257	562.2283	435544	404520	384380	369016	370600	315590	213031	391978	397818	1012403	506430	194478	498273	221149	313122	352748	221693	419130	508705	1023612	956446	472272	321178	398102	305898	782231	190500	437638	352391	304695	311464	300056	347326	310255	1760400	319118	383916	246888	204130	924221	429726	246616	8825	0	0	485866	367644	0	317887	308333	388191	411170	295497	0	460240	323348	196179	340781	345144	184239	380989	428479	482743	355415	188935	359327	269511	235554	572493	1408002	821400	329224	309023	276223	230591	287375	0	272098	354711	256788	301016	274751	286992	504744	398700	235690	317767	203428	210200	246296	397718	437216	552561	262629	450417	0	396481	428499	293547	281516	314610	380483	179378	433125	324337	313873	288695	0	248704	476963	Phytochemical	0.39285713	1.25	0.035714287
26	C28 H35 O11 N1	562.2283	562.229	-0.025405392	562.2283	11258	10653	9354	10027	14238	9994	1733	6839	14413	30634	10837	3799	30038	7399	0	6960	0	15764	13708	28753	33210	9730	8933	9439	0	24600	0	9932	0	0	5805	0	8366	5713	34112	0	7140	5231	3345	17408	13103	0	0	0	0	18118	12002	0	5239	0	11409	11253	6649	0	14850	12249	3100	6824	5083	0	7845	16446	17757	12339	5759	13507	4843	0	26450	46009	39034	7166	5945	0	0	4150	0	5451	11715	5708	6192	10527	3712	10883	20123	0	6845	6548	5770	5831	6516	5832	11161	9026	16683	0	8702	10741	10238	10936	8969	6373	3385	10248	8642	8277	7784	0	3894	19895	Phytochemical	0.39285713	1.25	0.035714287
28	C28 H35 O11 N1	562.2283	562.22894	-0.006141557	562.2283	3334	3350	4030	3465	6280	4319	1094	0	5684	11727	3843	1162	10689	3115	0	2717	0	5091	5957	11297	12842	3359	4092	3979	0	14976	1764	4245	2840	0	1417	1674	3114	1636	14156	0	2092	1837	2065	4717	5417	0	0	0	0	4545	5785	0	2441	0	3250	3708	2924	0	4258	4257	1032	3960	1304	1016	1785	2707	8364	2742	0	7267	2590	1271	10654	19624	21743	2773	1352	0	0	0	0	1521	2730	1967	2479	2076	1632	4968	5622	0	3083	2069	3027	2105	2776	3440	4885	2949	4793	0	3747	4895	2379	4435	5794	0	0	2870	2974	2665	3678	0	2073	8168	Phytochemical	0.39285713	1.25	0.035714287
4	C22 H35 O12 N5	562.2355	562.2365	0.2187837	562.2356	1167	0	762	515	0	746	0	0	408	0	0	0	0	0	609	809	0	0	694	0	0	0	853	0	328	0	0	3646	0	618	0	0	863	0	0	1273	0	393	0	0	0	0	0	0	0	0	0	0	0	0	851	0	0	0	443	278	0	474	0	0	0	0	0	0	0	0	0	0	0	0	0	621	555	974	0	0	0	0	508	11147	0	0	0	0	0	0	486	0	0	1013	37035	7779	0	1946	0	0	0	1206	0	0	391	0	553	0	0	507	0	0	0	0	Peptide	0.54545456	1.5909091	0.22727273
6	C22 H35 O12 N5	562.2355	562.2362	0.23501189	562.23566	0	1262	1777	1410	0	642	0	0	0	0	2709	0	0	0	934	0	0	818	0	0	0	1292	614	1408	849	0	0	13352	1414	898	0	0	966	1610	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1389	0	1706	1338	0	0	577	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1624	1338	1581	1154	699	0	620	0	26118	809	0	0	0	0	0	1206	0	0	1114	96186	20501	0	10643	6225	0	1185	0	0	0	0	0	0	0	0	0	0	0	563	0	Peptide	0.54545456	1.5909091	0.22727273
10	C27 H35 O10 N3	562.2395	562.2405	0.09954085	562.23956	8742	9569	7612	7850	2841	3860	8146	11670	2684	6781	2574	4540	2899	1525	9840	10466	4635	3566	4267	9682	7545	16899	5967	14948	13908	1391	4281	4268	8897	8219	7684	9550	15228	9962	13709	10197	9665	7401	5820	11575	3771	3320	0	0	0	12814	2799	0	12129	7265	10137	7815	3873	0	3640	2718	3545	11818	8645	2800	11150	5651	3413	4203	3517	3357	2287	4915	0	3052	2036	8807	8341	5328	5046	6644	0	6068	8964	0	6172	5595	7382	5304	2712	3418	7361	3779	3679	13953	14594	12246	27307	5529	7768	0	6408	8891	0	3184	2381	9717	5114	14439	0	17003	1617	0	9135	3081	Phytochemical	0.37037036	1.2962962	0.11111111
20	C32 H35 O8 N1	562.2435	562.24414	-0.29226643	562.2434	101834	95106	80944	87308	86060	74086	60584	82181	92904	237199	125393	48360	111186	47012	68310	74248	58690	82758	114506	200418	194894	99552	72170	77482	69076	174702	44340	97027	70004	74070	77168	70660	73958	67563	254118	62332	87275	62076	53134	256855	94486	55550	1402	0	0	90974	63996	0	68708	69760	92970	90508	75102	0	104660	79066	45180	74132	83268	44424	84914	87776	113888	81346	43570	89272	62936	54504	124539	418850	190527	71222	73266	56468	58023	72483	0	66800	93888	47772	80974	61474	65832	104706	90900	52610	85975	35726	47074	59735	89254	87820	134604	52512	87684	0	93242	91780	72456	74872	82176	86110	42562	89196	57605	65444	60490	0	58622	103252	Phytochemical	0.25	1.09375	0.03125
10	C26 H35 O9 N5	562.25073	562.2515	-0.28187418	562.2506	0	2110	1738	2021	1032	2190	2425	3856	0	2231	0	2510	1040	0	2362	3891	2464	1908	1723	0	0	3966	2949	2365	2970	0	1625	0	4331	2514	2320	3366	3061	3143	0	3962	4353	2197	2622	0	1205	0	0	0	0	0	0	0	4417	3186	0	1623	1205	0	1633	0	0	2951	0	0	0	0	1346	1688	0	1107	1344	2395	0	0	0	3135	1949	4074	2790	3106	0	1854	1498	9583	1610	1139	1529	2052	857	830	1265	1501	1376	4047	29567	17669	3777	1832	1491	0	1985	3079	0	1328	851	2197	1360	3026	0	1936	1492	0	2320	0	Peptide	0.34615386	1.3461539	0.1923077
6	C31 H35 O7 N3	562.25476	562.25543	-0.74566805	562.25433	0	0	653	0	0	1203	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26669	0	0	0	0	0	0	0	0	0	0	0	3475	0	1522	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.22580644	1.1290323	0.09677419
26	C29 H39 O10 N1	562.26465	562.2654	-0.028862344	562.26465	16397	17152	21160	17334	26768	17738	5047	20237	23836	40620	24868	7814	41464	12919	10396	17042	0	31610	34633	54170	51035	15039	14912	14371	9749	61987	6953	22084	17824	18118	14242	12499	20478	13417	42968	16839	17689	7923	10922	31476	24040	8217	0	0	0	25632	15679	0	19432	14817	20275	20852	16324	0	27266	25552	13298	18544	12456	6363	15646	17280	28780	25210	9346	27954	22368	9104	55581	86976	81737	17182	15425	9352	0	12479	0	10622	22627	0	18328	11029	13412	23756	29280	18988	18398	12601	13368	12968	17427	15661	23557	9172	15287	0	21226	22964	18297	20322	30300	16324	5613	19843	12195	15641	14855	0	11231	27988	Lipid	0.3448276	1.3448275	0.03448276
28	C29 H39 O10 N1	562.26465	562.2654	-0.0367054	562.26465	6047	4763	6151	0	8129	3188	1765	3160	7108	10564	6279	1686	15035	3714	0	0	4189	6365	10226	11821	15890	5423	6202	3699	2465	25423	2092	6971	3607	0	3683	3359	3669	3376	12863	0	4417	2571	4170	7502	5172	0	0	0	0	3863	5371	0	5149	2473	6995	5618	4226	0	8658	5801	1961	3946	2591	2232	4936	3926	9102	4552	2148	10855	2813	2102	22334	29555	34875	4149	2270	4263	2514	1947	0	2652	6853	1972	3970	3659	1980	5565	7713	5215	7160	3634	3680	2697	3366	5609	0	3064	3212	0	6585	5626	3676	6819	6920	4625	1330	5117	3549	5482	4261	0	2435	6060	Lipid	0.3448276	1.3448275	0.03448276
18	C29 H39 O10 N1	562.26465	562.26544	-0.05936205	562.26465	43798	42040	39314	42058	30103	21173	30841	53032	25045	43339	29223	29232	29026	16710	37769	50987	35677	28115	48000	77435	57461	39306	37932	60775	35066	72789	26830	33929	53220	39805	41671	52175	44901	49624	59183	56787	46266	32711	38360	52572	41278	30572	611	0	0	40620	37579	0	49954	39759	34697	37878	24763	0	31680	20217	19531	42543	30547	27133	54587	32857	26885	27388	14547	29888	24394	42463	48402	70648	66383	39545	37497	40576	33914	46485	0	32161	39198	22658	31090	23895	36589	30996	29682	22735	42076	27580	22170	41692	47456	44018	63984	21796	36757	0	37857	42718	22416	22811	28006	47854	23064	50737	24529	42207	23998	0	35200	19931	Lipid	0.3448276	1.3448275	0.03448276
14	C29 H39 O10 N1	562.26465	562.26556	0.10478266	562.2647	13212	25685	34962	23565	11484	9543	22074	19311	8745	62967	22002	21963	4923	8997	20631	39594	26925	15378	13848	49128	32478	34938	18234	28038	21713	26775	16284	0	22623	27183	24485	27255	36135	28170	52444	21879	20160	15521	28308	41706	26247	11793	0	0	864	31347	13575	2328	26901	30456	16761	35334	8922	0	10395	10500	7674	16662	0	0	0	10845	12426	10140	6972	11637	16167	29070	0	38490	34548	19092	22458	27933	18003	19315	0	12546	18255	0	19473	7665	15688	19506	10344	7641	16872	15726	12420	55695	31398	30399	39780	16650	30276	0	29160	14652	5631	5874	8868	24003	19574	35046	0	30930	4962	1460	23574	5373	Lipid	0.3448276	1.3448275	0.03448276
16	C29 H39 O10 N1	562.26465	562.26556	0.059860565	562.2647	14509	21209	17110	19568	7398	8658	13479	22873	9185	23822	18568	13097	7548	5307	13227	21014	21688	13214	14559	28407	23357	21074	17698	25835	13782	26799	13394	10848	19637	14278	19551	23047	23167	14588	21635	21861	14645	12185	22589	24033	20800	11686	0	0	0	14250	13586	0	24934	20574	17411	17136	10882	0	9444	8387	6510	22773	7323	13937	23025	11068	6805	7546	5012	8051	10964	22977	12641	30870	24803	15865	16687	17965	21030	18817	0	14447	15156	12152	12763	8205	14772	15834	6994	7004	18776	8631	10770	24963	24622	19974	0	11571	18096	0	13892	19685	4916	8466	8696	21111	11494	23463	9541	14908	6694	0	14318	7548	Lipid	0.3448276	1.3448275	0.03448276
10	C23 H39 O11 N5	562.2719	562.27277	0.19409324	562.272	0	0	0	0	0	0	0	0	0	0	2340	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29126	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48366	0	0	0	0	0	0	0	0	0	0	120050	42314	0	14563	2550	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.47826087	1.6956521	0.2173913
4	C23 H39 O11 N5	562.2719	562.27295	0.3494595	562.2721	795	564	970	0	0	2872	0	0	0	0	0	0	309	0	321	440	0	0	0	0	0	0	0	0	0	0	0	11274	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	786	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	592	0	0	0	0	0	282	58435	545	0	0	0	0	0	398	0	0	0	57888	17395	0	5172	1702	0	645	1366	0	0	0	459	0	0	0	383	0	0	0	0	Peptide	0.47826087	1.6956521	0.2173913
6	C32 H39 O6 N3	562.29114	562.2917	0.09330522	562.2912	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9089	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20418	0	0	0	0	0	0	0	0	0	0	10724	4714	0	1625	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.1875	1.21875	0.09375
28	C30 H43 O9 N1	562.3011	562.30176	-0.06326367	562.301	7132	5109	6944	4499	13747	2650	3185	5541	7484	6731	7140	2141	11225	4540	4202	4889	2779	5215	10991	9093	9677	4733	4225	4889	6811	28074	3992	7924	5346	3343	4766	6283	7504	4399	8951	5590	4378	3541	3780	7190	6895	3602	0	0	0	3723	2125	0	4494	4892	5497	4632	7449	0	12378	10447	3159	6374	3262	2318	4947	3866	8659	6327	2536	8533	5775	2495	25905	26188	34061	3501	2885	3141	2487	3704	0	2968	6251	3097	4594	2472	3325	6252	12484	6568	8988	2401	4032	5740	4725	4642	5079	3798	2491	0	5683	5107	5476	15236	14678	7467	3086	5464	4083	4411	8865	0	3761	9113	Lipid	0.3	1.4333333	0.03333333
16	C23 H47 O14 N1	562.30695	562.3078	0.11007501	562.307	38646	36384	36580	33275	52580	37994	21205	7077	9253	15307	28037	12137	25240	445965	8831	4416	10222	9838	9422	6186	4558	5854	7387	6730	9048	27468	23233	33309	5804	10254	11602	10917	5394	11952	4191	5325	9864	16305	9589	48509	10815	16622	37577	37845	21712	37681	16886	31658	9416	9929	34835	44639	23542	28382	12047	6590	47677	10010	382897	29838	15297	83547	37714	13956	43850	86039	167980	7137	34947	19741	26833	11696	14017	11658	3408	8362	25678	13557	13693	33895	13006	21120	14310	15219	10306	28594	10418	21251	20786	0	15744	17786	0	13736	6354	24449	36613	32787	21098	10829	16992	5222	10844	236229	3080455	16430	31299	36362	14456	7509	Unclassified	0.6086956	2.0434783	0.04347826
10	C24 H43 O10 N5	562.3083	562.30884	0.35146987	562.3085	0	0	1162	1708	0	1067	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1033	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	62015	0	0	0	0	0	0	0	0	0	0	170335	57920	0	7024	0	0	1195	0	2282	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.7916666	0.20833333
8	C24 H43 O10 N5	562.3083	562.3092	0.41574782	562.30853	1549	1963	2638	1126	0	2593	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	33025	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1932	1010	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	141979	0	0	0	0	0	0	0	0	0	0	242037	88300	0	13611	1190	0	1176	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.7916666	0.20833333
6	C24 H43 O10 N5	562.3083	562.309	0.1990259	562.3084	0	0	614	0	0	1528	0	0	0	0	1165	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	733	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	73949	0	0	0	0	0	0	0	0	0	0	77451	30537	0	3953	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.41666666	1.7916666	0.20833333
16	C24 H51 O13 N1	562.3433	562.3442	0.048854556	562.3433	97735	99972	111024	103850	64800	62279	97683	50768	52991	82740	181423	70081	44287	59082	60564	39256	81027	43467	34712	62820	43143	68452	54016	60976	58283	41463	348014	293232	43377	46346	53386	58395	60510	53615	50202	46685	47072	66243	82265	119707	218453	53954	114831	158562	112535	107495	168499	138201	59962	49573	110334	114983	60459	105955	39641	41544	70020	73671	762797	233677	200944	175271	101480	55209	61933	70400	76106	87107	333114	72983	156944	55466	58142	52176	36516	63605	136009	66727	60483	450892	46725	80779	66017	61057	48911	56352	50273	61892	61206	114966	67485	66553	90819	111785	73688	128163	111290	94437	61023	50973	45130	50218	59031	522859	3488396	77413	46161	146821	61498	67008	Lipid	0.5416667	2.125	0.041666668
14	C24 H51 O13 N1	562.3433	562.3441	0.03865862	562.3433	56366	34111	49269	38241	1409	2254	44601	4286	1721	90219	117101	11039	0	2092	2011	0	6675	0	0	17813	2111	26956	2863	7576	0	1462	72532	112593	0	1637	2373	0	2397	2868	7968	1681	1731	7619	5533	30006	83974	1445	10725	3753	2843	49897	127595	4045	7327	5002	49985	38346	3004	3425	0	0	1879	26050	327199	148637	115798	70029	6872	0	3066	1421	1377	4689	214348	18132	118036	4252	2363	1984	1364	2666	3187	3482	3505	161422	1994	6143	4686	1535	1125	0	0	2298	1482	46692	31801	57036	2915	48306	34848	3069	53356	28956	4012	1743	2313	5066	3075	63586	743385	2107	1152	4175	1942	2609	Lipid	0.5416667	2.125	0.041666668
26	C32 H51 O7 N1	562.37384	562.37427	-0.031854365	562.37384	3682	2513	4308	2448	0	0	1962	0	0	0	0	0	0	0	0	25483	0	0	0	0	0	0	0	0	5708	0	2545	2172	0	0	4484	8695	5404	3438	0	7400	5987	3650	10521	0	0	0	0	0	0	0	0	0	3750	0	3752	2313	0	0	0	0	0	46430	2291	0	11123	0	0	2427	0	2448	0	10442	0	0	2316	0	0	0	0	4881	0	0	4607	0	0	0	2695	0	0	0	35728	2510	2705	3443	2021	3727	0	0	0	0	2839	0	0	2954	6919	8513	0	0	0	10634	0	0	3992	0	Lipid	0.21875	1.59375	0.03125
26	C24 H18 O16	563.0668	563.0675	0.058692537	563.0668	3888	2891	2982	4072	7681	6063	0	0	7665	0	0	0	19824	2954	0	0	0	8634	9465	0	0	6896	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6500	0	0	0	3201	2649	4275	0	7885	9477	0	0	0	0	0	0	15629	8148	0	7290	0	0	0	0	0	0	0	0	0	0	0	0	2095	0	2908	2916	0	0	9956	0	2760	0	0	0	0	1934	0	7603	0	0	5619	0	6180	10120	8894	0	0	0	0	0	8087	0	0	23234	Phytochemical	0.6666667	0.75	0.0
20	C24 H18 O16	563.0668	563.0678	0.3302478	563.06696	2418	1850	3717	2657	7391	3305	0	0	12587	0	0	0	21125	3383	0	0	0	5332	5437	0	0	5142	0	0	0	0	0	0	0	0	0	0	0	0	1718	0	0	0	0	1308	0	1584	0	0	0	3484	5491	1220	0	0	2542	1917	3773	0	10517	9255	1635	0	0	0	0	2579	15216	8299	2368	12011	1689	0	1671	0	0	0	0	0	0	0	0	0	2929	4380	2478	3075	0	0	13423	4297	1790	2232	1511	0	0	1759	0	7158	5064	0	3213	3516	8620	17181	13683	0	0	0	6339	0	10521	0	0	16124	Phytochemical	0.6666667	0.75	0.0
20	C25 H22 O15	563.10315	563.104	0.1920253	563.1033	8124	15166	15275	11067	24992	13660	2400	1897	30530	13740	7244	2694	65896	9598	5713	0	1590	31267	25652	8311	10325	32011	6994	2581	3285	2505	2786	2758	0	0	1432	1543	2870	1492	26320	0	3651	4456	0	8250	7294	4329	487	0	0	24669	37474	0	0	1560	12905	13212	12563	0	35577	25894	8800	1839	4087	1321	1918	6841	59810	32241	10207	30868	8580	0	0	4254	4382	0	1155	0	0	0	0	2829	11074	21969	11246	25944	0	0	35387	16197	7901	3103	4008	0	0	4670	3765	31724	24314	0	12645	13920	22578	28220	31039	1952	974	2105	26524	2914	21951	0	1316	67117	Phytochemical	0.6	0.88	0.0
14	C25 H22 O15	563.10315	563.1041	0.21365222	563.1033	12993	11959	14568	14199	24145	7809	0	2631	28151	12047	19497	3587	41278	6439	4460	0	2534	25722	15761	4252	12983	41095	6936	0	1689	0	2166	0	0	0	1917	0	2389	2592	24759	0	3127	4177	3161	5088	7412	2995	0	0	0	14555	31167	0	2947	0	5846	8806	10701	0	27081	25844	7827	4687	0	0	0	9512	49985	24483	8041	26555	7257	4009	0	1836	4477	1789	0	0	1843	0	0	4270	11921	15569	9654	20264	0	1306	39224	11587	10199	5086	5367	5154	0	3504	3360	38701	23354	0	9996	7517	22105	36557	39341	0	1565	4174	23834	1464	22721	0	1967	32102	Phytochemical	0.6	0.88	0.0
12	C25 H22 O15	563.10315	563.1042	0.09184293	563.1032	6278	5771	4117	5802	10366	4813	0	0	13916	9963	8235	0	23108	2286	1523	0	0	6870	6413	4528	5762	13492	1942	0	0	1070	0	0	0	0	0	0	0	0	15175	0	0	2382	0	1761	4657	1152	0	0	0	4201	20145	0	0	0	4398	3748	5389	0	12178	13384	4625	0	0	0	0	2717	30880	15569	4755	13695	3975	0	0	0	1717	1275	0	0	1240	0	0	0	6298	0	4784	7623	0	914	19978	5546	4222	3049	3876	0	0	0	2353	17201	11379	0	6212	5496	14530	20565	22021	0	930	0	0	0	15033	0	0	20128	Phytochemical	0.6	0.88	0.0
16	C25 H22 O15	563.10315	563.104	0.18548435	563.1033	16229	14475	14038	13468	36277	11487	2118	2464	37418	20230	12242	4027	65865	11039	8715	4007	3279	30711	32420	10966	14629	48521	8384	3540	1387	2084	2412	5756	0	0	1453	0	5300	1349	37919	0	3306	2787	2335	7228	10406	6237	494	0	0	19255	42486	0	3034	0	19910	17224	15354	0	39179	39324	9968	2001	2308	4402	0	7187	75900	30371	9711	48166	11925	2161	3713	0	4027	1498	0	0	0	1947	0	3670	16470	24174	14765	24547	0	2055	40916	15131	12678	6441	9307	0	3271	4218	0	51462	38406	0	11257	15513	31594	48316	40176	3491	3164	3200	26049	0	31216	0	4707	61403	Phytochemical	0.6	0.88	0.0
24	C25 H22 O15	563.10315	563.104	0.1656139	563.1032	6681	3088	3431	6230	13882	5723	0	0	11030	8897	2088	1027	21843	5867	1563	1401	0	13400	11247	4546	3058	12389	2964	0	0	1575	0	1423	0	0	0	0	1155	0	8711	0	1273	2016	0	3804	2746	1292	0	0	0	11430	14268	0	0	0	7058	4192	4888	0	11934	11525	3990	0	1486	989	1299	5145	22079	8626	2082	12016	2130	0	0	1609	3300	0	0	0	0	0	0	0	2921	5821	4487	9940	0	1094	16204	9079	3181	1767	2155	1765	2792	2005	2786	10672	12128	0	3897	4257	8225	11071	8175	0	1181	0	10981	1192	10380	0	0	21684	Phytochemical	0.6	0.88	0.0
16	C24 H22 O14 N2	563.1144	563.11536	0.23936465	563.1145	1831	3773	0	2459	6783	0	0	0	5819	3391	2071	0	13508	1317	1613	0	0	5096	6048	2226	6835	12698	2183	1579	0	0	1013	0	0	0	0	0	0	0	5896	1560	0	0	0	2616	4317	0	0	0	0	5573	23148	0	0	0	3039	2408	2670	0	7469	5393	1636	1584	0	0	0	3962	14428	6873	3360	7791	1710	0	0	0	0	0	0	0	0	0	0	0	0	11770	1481	12440	0	1283	5935	2402	3057	1461	0	0	0	0	0	19837	8473	0	3738	0	3757	6473	5823	0	1993	0	26477	0	3239	0	0	13907	Phytochemical	0.5833333	0.9166667	0.083333336
20	C26 H26 O14	563.1395	563.1404	0.14622782	563.1396	27717	29698	34984	31167	43312	32714	5252	8911	55377	88257	26955	8085	86254	22764	14276	8234	3309	54238	50009	50430	46340	71299	19347	9968	10425	12861	6857	11852	6966	4978	6280	6182	8507	5944	102234	6047	13027	16709	3167	40455	17989	10459	988	0	0	85077	79858	496	6518	6025	28665	32458	30369	0	55948	33153	17023	12898	14908	3226	9517	20674	90405	41337	14100	47369	15420	4271	11421	21260	22086	9059	6176	4549	5419	6190	263	9428	27516	34100	16858	66898	7401	19553	52022	23848	20776	8506	16251	7526	14476	22157	13987	55988	64179	0	32635	32403	39067	36344	30859	8415	6266	11518	68338	11393	31259	0	7320	81314	Phytochemical	0.53846157	1.0	0.0
22	C26 H26 O14	563.1395	563.1403	0.07542662	563.1396	18037	9395	15451	14911	29648	15284	2883	3915	30635	45492	18839	2783	45743	12501	4983	4863	0	30508	21279	24775	25987	36974	6857	4615	4594	9496	1808	9217	5338	2053	3737	0	6559	3139	48287	3175	5969	6955	1393	16064	10433	2948	0	0	0	43752	50416	0	3142	4714	17931	17921	14442	0	30311	23455	6720	5559	5383	2898	3833	16634	48795	17766	7481	29619	5818	2420	7454	12983	9692	2978	0	1013	2287	2720	0	5194	12104	18860	10513	44250	3779	11363	23726	12817	7972	3560	7245	2930	10943	10044	13356	31513	36657	0	11989	18636	27407	24276	18881	1779	3060	5514	42965	2898	17546	0	6249	46303	Phytochemical	0.53846157	1.0	0.0
12	C25 H26 O13 N2	563.15076	563.15173	0.15903817	563.1509	14978	28202	18366	22302	21248	10068	9420	18348	29306	51502	31082	14116	40094	9124	10458	13208	14008	32450	28710	38058	47952	87006	13757	13284	6756	8158	5654	0	7702	5540	11466	5824	14098	9406	96944	11572	13902	11202	17526	51133	54258	11318	0	0	0	62160	105818	0	10762	10592	26618	28324	14410	0	36344	20875	14430	7192	15532	0	0	37980	58506	37948	8931	37932	10890	17316	0	13364	15303	10102	7586	7778	11454	8462	0	9468	23242	39968	9236	46150	7517	18343	33768	15089	16270	6912	10734	30338	9244	11014	18790	79672	43917	0	21588	25918	19086	25814	24590	9808	5822	11804	69614	12258	21038	0	11674	53426	Phytochemical	0.52	1.04	0.08
20	C25 H26 O13 N2	563.15076	563.1516	-0.020401658	563.15076	4472	8080	6183	4780	4195	3069	1342	3285	7014	8841	6560	1491	11895	0	0	0	0	6722	8271	9963	9654	17858	4670	3660	2595	1758	2326	2270	3927	1817	4138	2095	5217	1939	14460	1360	3361	2317	0	9359	4608	0	0	0	0	23418	15912	0	3321	2098	3558	5237	5010	0	7426	4166	1524	3455	2929	1278	2880	8061	16060	5503	0	7805	2754	2076	1513	1936	2369	1865	2073	0	2501	1497	0	3393	4143	8144	3539	12434	2430	0	6462	3244	4670	2877	5249	3498	0	5997	6313	11681	23767	0	3362	5955	3709	5296	4474	2078	945	3112	18551	3612	3327	0	1979	12323	Phytochemical	0.52	1.04	0.08
14	C25 H26 O13 N2	563.15076	563.15173	0.16464399	563.1509	26140	9870	15626	23415	13271	7508	7556	11437	22722	37066	16743	5644	33042	5017	5770	7787	9407	23168	21416	38950	40654	62127	10601	6945	3477	5709	5207	7215	11623	7705	7105	0	17736	5590	53983	7931	12225	8941	7461	32965	38638	9109	0	0	0	52347	55144	0	8597	5034	14881	15779	9052	0	25799	14505	7396	13131	7754	7905	0	33243	38745	28818	7181	18593	12413	8244	0	8865	9348	6990	7375	7399	7813	8774	0	5364	20574	26911	13433	38092	4604	17980	18102	11115	15211	9078	12605	19113	10342	19950	16168	41150	41687	0	12236	20830	17555	16854	15125	11292	9688	9202	57039	13922	11170	0	8588	27741	Phytochemical	0.52	1.04	0.08
20	C27 H30 O11 S1	563.15814	563.1592	0.49009177	563.15845	8081	19518	9403	4278	12834	5426	4155	3876	15236	79524	13668	1286	10455	4355	0	3325	2467	14204	0	61854	23210	49192	3900	2958	2702	24576	2668	23754	1799	2093	0	1511	4226	2262	50634	1827	4144	2474	1749	44366	23056	3396	0	0	0	30330	15514	0	2243	1445	13822	20880	6062	0	12290	6055	3017	2072	6570	3726	2826	30116	16423	7386	3873	12023	2645	2719	18640	28280	22228	0	2994	0	0	0	0	1367	4366	12577	2679	28460	14052	22542	16492	4354	6308	2499	4006	3287	6654	18430	4193	35478	37241	0	18640	22624	8845	10892	4137	3371	1980	3015	20388	0	5343	0	3258	15420	Organosulfur	0.4074074	1.1111112	0.0
26	C27 H30 O13	563.1759	563.1767	0.1835457	563.176	6931	6284	7186	7010	9069	6552	0	0	10718	23767	6257	0	19138	5410	0	0	0	12490	9910	16937	17896	11362	5828	5617	0	9447	0	5903	0	0	0	0	3347	0	23496	0	3631	0	3151	13533	7359	0	0	0	0	18392	23632	0	3165	0	7062	5398	8964	0	12129	8859	3324	5233	0	0	0	8315	17874	6090	2802	14452	3506	0	6665	15222	15952	3498	0	0	0	0	0	3871	7485	7948	4844	10239	2520	5893	10272	6405	5673	0	2855	3120	7784	4293	6378	8750	15034	0	4916	8435	5420	7838	6398	0	0	0	10294	0	6469	0	0	18401	Phytochemical	0.4814815	1.1111112	0.0
22	C27 H30 O13	563.1759	563.1767	0.10822686	563.17596	33217	33475	37924	36311	47382	37623	11371	22863	49335	109790	32612	13887	74671	24970	22945	22168	8922	63161	46261	70898	66662	61691	22283	19122	20585	36326	10642	26870	18723	12279	16560	13197	19545	13314	112718	12047	23884	19898	12963	54018	31481	14798	0	0	0	89390	66641	0	19430	15981	37340	36482	29295	0	61545	35580	19310	23467	21399	12292	18149	36247	68344	44674	13639	55944	22157	12317	31719	135326	40667	20288	12879	14656	9410	13758	0	12660	30791	21474	23994	67089	18354	25542	39789	30695	23128	11169	14848	9844	26132	34980	19733	35674	61676	0	40915	32057	38728	38346	35131	15468	12467	22201	66826	16610	38457	0	18497	83584	Phytochemical	0.4814815	1.1111112	0.0
10	C26 H30 O12 N2	563.18713	563.1881	0.105472736	563.1872	12914	12548	15945	12843	8164	7039	5896	10552	12309	30750	13992	7154	16884	3934	8496	11684	9180	12426	11975	27330	27366	34159	9599	15465	6469	3386	7634	5023	8264	9062	9570	11368	13845	11244	47848	10234	13148	7357	14189	28544	28484	5927	0	0	0	25540	27748	0	14964	10965	14709	13884	6690	0	13476	8377	6299	13741	8840	12317	14887	14566	16836	13499	2664	9823	8847	10628	8168	9621	11777	12287	9909	9119	7874	8907	0	7256	12466	9760	11817	16133	9308	13458	9062	5133	12461	8419	7175	15631	5945	10720	16525	19922	23905	0	15433	15711	6383	12076	8102	12768	8143	11662	24402	10148	6336	0	7512	14669	Phytochemical	0.46153846	1.1538461	0.07692308
12	C26 H30 O12 N2	563.18713	563.18805	0.08437105	563.1872	20838	24432	23211	21274	13765	13471	20454	21915	14992	49339	22225	11916	22441	5431	15787	19621	13856	21071	23129	41723	35314	64797	19802	20244	13015	8510	7974	9124	19018	15458	18528	16132	21125	13429	68552	14881	17813	13830	17855	46755	48567	12122	0	0	0	49555	37668	0	18108	15507	22635	19983	12783	0	22842	11248	8163	22314	27510	10975	0	24254	25481	17815	6684	20877	14692	16874	0	16514	13539	21275	14529	16472	12352	14408	0	16132	20368	0	15637	27371	15191	22715	11773	11413	18803	7241	13779	32841	16923	23391	34275	29504	36001	0	22711	29939	16513	10965	12343	20535	11406	18688	31307	17480	11445	0	13859	22293	Phytochemical	0.46153846	1.1538461	0.07692308
22	C28 H34 O10 S1	563.1945	563.1957	0.4695616	563.1948	10935	21450	9716	10141	8569	7894	0	11723	13836	43464	21042	3385	11734	0	4939	7070	2781	14869	9188	32428	66038	50824	6924	14948	5651	19595	8612	34924	2613	3820	4032	4308	4536	2811	52288	4741	5807	2818	5565	69078	29048	13114	0	0	0	36278	16101	0	3522	2134	10895	23252	5816	0	24182	19804	3509	5901	19040	14670	6288	42974	8798	7768	4015	7793	5391	2493	40456	39594	25167	4458	3137	2433	1863	2492	0	3838	16892	34298	5279	10888	18690	35808	26122	10268	6940	5940	4565	5396	42104	59112	21572	45436	29607	0	20742	25410	17040	5980	7546	9422	2752	16308	12942	5186	10386	0	15038	12663	Organosulfur	0.35714287	1.2142857	0.0
26	C28 H34 O12	563.2123	563.21313	0.14778931	563.2124	15254	13378	13857	10494	18127	12696	4328	10377	19840	47157	13061	5030	34761	8300	9954	9760	0	24009	18160	36753	37395	14786	9886	8796	8955	15047	3091	9945	9611	9486	7003	5870	10153	5332	40460	7071	13656	8960	4534	17775	13380	0	0	0	0	22822	16592	0	9771	7284	19554	14382	12576	0	24257	17766	7267	10117	11210	0	14489	14118	31048	20002	5808	14334	8098	5778	20019	34365	27548	8260	6376	0	0	6415	0	5646	16463	8726	11693	16376	5476	14271	20528	0	13823	7274	4544	6262	8741	15189	15066	10683	17011	0	11902	13200	16659	11065	15854	6116	6295	14016	12385	4480	12273	0	7931	24905	Phytochemical	0.42857143	1.2142857	0.0
20	C28 H34 O12	563.2123	563.2131	0.03685033	563.21234	172026	156904	154485	144348	148526	135955	79558	152744	180159	423787	363248	74420	214325	83602	127851	114306	58604	197711	219281	360477	291541	212994	121733	141246	117550	195971	63954	135913	132530	117522	125464	127913	150678	111442	522569	127009	162803	111246	71292	243557	125375	85584	2692	0	0	242731	163819	0	136611	115917	163659	164472	110531	703	216114	124495	75376	147265	140380	58382	127408	148385	225047	155606	70828	153923	103552	74389	151214	319080	230956	119994	120884	128979	70446	110393	0	94497	144591	90761	120587	136820	97453	206841	145637	84460	125159	72767	91405	75001	149938	163167	168387	109319	165794	0	168341	167753	128664	119339	111156	138361	88764	139880	146889	123605	123853	0	93877	224821	Phytochemical	0.42857143	1.2142857	0.0
12	C28 H34 O12	563.2123	563.2133	0.23351973	563.21246	14495	14778	15009	9925	5742	5860	7105	18295	8151	19376	10805	8205	5679	3116	10544	9758	15013	6436	8905	17765	18407	14426	9739	17882	8739	13422	7504	9925	11881	13456	13146	13939	14799	8588	25029	14715	10801	9027	11468	16408	13160	6907	0	0	0	17778	15190	0	12803	14898	10782	11167	5469	0	6864	4386	4697	16474	9769	0	0	7948	6159	6934	2913	8691	4978	11502	0	11230	16236	12011	10582	11738	11708	13511	0	7973	14763	0	10467	10834	15259	9035	10918	5311	15099	3413	3713	13766	6151	9343	13178	6902	9279	0	17290	9771	7792	10131	7852	11045	9168	20717	0	7869	5667	0	10500	8467	Phytochemical	0.42857143	1.2142857	0.0
24	C28 H34 O12	563.2123	563.2131	0.094905436	563.21234	33309	35765	43301	36326	37343	29555	10602	26086	50552	117512	34668	16806	75912	18371	28170	26985	10914	55730	51338	78848	73721	48945	29543	29167	24574	42624	11030	30466	25871	18468	22101	25647	31073	21120	122210	27688	34968	21501	13979	52833	38187	16500	0	0	0	58576	43245	0	32742	24742	43659	41757	28389	0	63550	33747	20673	28002	25970	10822	29077	37922	70116	45285	18384	46509	23041	15246	37500	93289	66437	25574	24049	20160	12309	21526	0	19964	40995	18579	31298	39515	18546	30585	44773	24107	28024	14328	20091	18165	29567	39073	41786	26332	44258	0	44744	36935	34648	36048	28333	21530	15999	32032	41054	21509	35171	0	21190	68179	Phytochemical	0.42857143	1.2142857	0.0
6	C22 H34 O13 N4	563.21954	563.2207	0.37108967	563.2197	1304	1316	0	991	0	10721	0	0	0	0	0	454	0	0	0	1154	2025	0	0	0	0	1695	0	0	0	0	1015	0	1529	1005	1670	1607	1132	1963	0	0	1077	0	0	0	0	3296	0	0	0	0	0	0	0	0	1260	0	0	0	0	0	349	0	0	0	0	0	0	0	0	1004	0	0	0	0	0	1687	857	0	0	870	0	668	1252	0	0	0	0	0	0	0	1244	542	0	0	33112	20980	2782	0	0	0	0	1199	0	0	0	1407	0	0	0	0	0	0	0	0	Peptide	0.59090906	1.5454545	0.18181819
8	C22 H34 O13 N4	563.21954	563.2199	0.17212072	563.2196	6003	5600	6058	4583	3568	20324	4080	6107	3150	12112	7057	4221	6473	1294	4752	5154	4199	2614	4744	7856	9960	11180	4775	9333	5377	1382	2109	6924	5556	4412	5184	8300	6516	5365	16409	5197	7655	4077	3306	7958	6301	7747	0	0	0	7217	5462	0	10706	5424	6288	5916	2884	0	5983	1258	1681	5540	2023	3358	4986	3732	6183	4649	2042	2440	2221	6589	0	3512	3039	7262	4973	4198	2559	5600	0	3678	5869	3575	4184	3908	3810	4737	1445	0	6280	1190	3009	6803	10542	20949	12047	6206	9060	0	5283	6343	2109	3504	0	5837	4493	7739	0	6913	2329	0	4941	3732	Peptide	0.59090906	1.5454545	0.18181819
14	C27 H34 O11 N2	563.2235	563.2244	0.053364627	563.2236	23122	21922	21414	25297	7231	9774	13013	24023	9617	29812	15329	14896	12451	4744	20089	25778	16778	12837	18375	33515	32572	44402	21068	21201	21187	8452	11833	15414	23671	17894	22863	16795	28694	19362	48709	24334	24735	15181	16458	34974	20417	11531	0	0	0	27321	18214	0	22955	19491	22913	21793	10122	0	18532	7271	7850	27672	25327	13944	27894	29744	14076	12011	7834	15019	14372	19574	0	15337	9135	21079	21907	23106	15471	21082	0	14483	18905	0	14395	15504	18102	18242	7303	8379	18265	10548	11426	34510	36521	35424	47356	20590	27449	0	20256	22633	8602	8561	7913	25608	15301	35362	0	27142	7909	0	16791	16022	Phytochemical	0.4074074	1.2592592	0.074074075
12	C27 H34 O11 N2	563.2235	563.2245	0.16589344	563.22363	12142	17073	10950	14844	6321	7010	13237	18300	7380	30419	11492	9586	8603	2129	12946	14613	13778	7897	12762	33345	20961	32624	13808	20320	14188	6105	7797	0	15510	10491	14169	12910	18177	12348	44784	13405	16653	11128	14842	32670	14164	6815	0	0	0	20214	18596	0	15214	14180	13679	13179	7319	0	12627	3559	8034	17623	12131	9151	0	15600	13036	7212	5976	11754	10368	9964	0	12816	7786	11548	13668	8627	8354	10621	0	10735	8495	0	10926	13156	11608	14199	4704	4399	18184	5314	9362	31331	23206	20410	35638	13029	17501	0	12903	16830	5147	5460	5811	15565	9131	16189	0	16230	4913	0	11984	10569	Phytochemical	0.4074074	1.2592592	0.074074075
28	C32 H34 O9	563.22754	563.2282	-0.12155907	563.2275	4016	2877	0	2267	5256	1648	0	0	4635	4949	4763	0	3714	2399	0	0	0	0	4804	5542	5047	0	0	0	0	17603	1771	4727	0	0	1754	0	2313	0	5083	0	1542	0	0	3393	5023	0	0	0	0	0	0	0	0	0	4124	3472	3267	0	4250	4301	2641	1366	0	0	0	2972	3689	2680	0	3770	2231	1290	22425	10156	24241	1553	1282	0	0	0	0	0	2291	3758	2189	2154	0	4327	6356	0	3582	1734	0	2027	0	0	1904	1914	2722	0	2866	3987	3336	6462	5944	0	0	0	0	0	3862	0	1707	3009	Phytochemical	0.28125	1.0625	0.0
26	C32 H34 O9	563.22754	563.22815	-0.1086131	563.2275	9171	8826	10169	11464	11501	5369	0	0	13516	15540	26618	0	14004	7698	0	0	0	0	15146	24577	19766	11123	7252	0	0	52989	0	21499	0	0	2853	0	4800	0	22947	0	4590	5116	4100	19220	19962	0	0	0	0	8341	13880	0	4322	0	10659	8433	7052	0	11706	10776	0	5923	0	0	5222	11027	13020	12933	5433	11938	6582	3054	71344	45591	69035	0	0	0	0	4635	0	0	7519	6820	9800	5955	3695	16355	26314	8174	8474	0	4724	4372	5377	5032	6963	7445	0	0	8924	10816	10567	21706	24034	0	3754	7223	0	0	8928	0	5647	7621	Phytochemical	0.28125	1.0625	0.0
18	C32 H34 O9	563.22754	563.2282	-0.13605882	563.2275	4831	0	0	0	1831	0	2914	2472	0	0	4551	2295	0	3700	0	6554	0	0	3025	7572	8578	3558	5568	6251	2554	11174	0	4432	0	4516	3920	0	2727	0	0	0	0	2850	3937	0	5047	2639	0	0	0	3241	2706	0	3900	2938	3492	0	0	0	0	0	1037	4148	0	2966	0	1162	0	0	1811	0	3061	5278	8610	5264	21556	0	0	0	0	0	0	0	3490	1779	3979	1285	0	3138	2516	0	8266	0	0	0	0	1962	0	0	2761	0	0	0	2599	3355	1837	0	2488	0	0	0	0	0	5792	0	Phytochemical	0.28125	1.0625	0.0
24	C29 H38 O9 S1	563.23096	563.23175	0.42767125	563.2312	26710	21990	11420	8668	12566	10766	2725	7260	9837	30914	36034	4264	8870	5076	6355	11090	10458	29702	16024	68218	27725	19701	4287	9052	7096	22256	2296	37512	0	3800	4794	5812	5966	5405	88706	4279	6402	4623	5939	25066	17888	4506	0	0	0	14363	15500	0	6445	4796	27188	10805	6281	0	7428	7867	4716	12714	13811	5978	10408	35248	9683	7057	2741	10501	6309	5142	13701	29543	21328	6453	5692	3450	9210	4591	0	2402	14450	22940	7176	17642	22826	39172	7866	0	6810	11014	5451	8697	50048	27011	15527	32084	53120	0	12855	25052	5925	9082	7484	10760	4279	34550	11668	14224	10143	0	10346	24036	Organosulfur	0.31034482	1.3103448	0.0
28	C29 H38 O11	563.2487	563.24945	0.00956866	563.2487	7596	6799	9354	7364	11101	6962	3293	5574	10106	19609	7931	3016	16335	4415	6138	6043	3711	10851	13481	18258	17611	5558	7885	6610	4811	12209	3181	8058	7304	3852	6322	4144	8102	5817	23418	7342	7805	4951	4268	9405	6221	4417	0	0	0	7442	6341	0	7027	4522	6875	7396	7080	0	12045	8019	3674	7645	4566	3198	7355	4108	11396	7112	3211	8275	4680	2687	10126	29453	27244	4717	4199	4207	3846	4552	0	4241	10987	4498	6162	4780	6382	5936	10423	6161	6905	4061	3976	4910	8719	9338	9943	4273	7006	0	10204	5513	6394	8768	7155	7316	2867	6552	4877	5045	6847	0	3095	10389	Phytochemical	0.37931034	1.3103448	0.0
14	C29 H38 O11	563.2487	563.24963	0.14674573	563.2488	19267	13561	15474	13819	4425	5870	19791	20434	9002	18177	11549	18698	6799	4353	14185	20001	23895	6299	10453	19658	16221	12143	15980	21318	14186	14737	17081	12199	16055	18684	18047	26032	22040	11511	15955	16002	14153	15653	25325	8280	16512	8670	0	0	0	11769	17447	0	19088	21065	15516	18407	7461	0	16017	7940	9028	24000	11719	14062	18194	8872	7292	11141	6677	8810	7327	27678	0	16265	16482	14568	12361	20779	19743	19591	0	14985	19788	0	20999	11431	14866	9179	11876	9174	20921	5933	9740	28793	17460	16015	19638	10584	14443	0	13983	16200	8306	12391	14190	17805	12997	25407	0	15333	9397	0	22431	6640	Phytochemical	0.37931034	1.3103448	0.0
26	C29 H38 O11	563.2487	563.24945	-0.0156129	563.24866	29222	29363	32962	28489	31911	21792	10397	23024	34482	67118	30077	14364	58959	20574	24313	26109	10283	39706	47744	69226	66805	30461	29297	24345	19726	43802	10498	24313	25657	23273	21183	23708	28759	21373	79816	22508	36968	22798	15506	45165	22380	16796	0	0	0	38745	24105	0	26765	22972	25402	27310	23632	0	45950	29114	14553	30319	22410	9948	28307	22513	52130	34226	10327	33494	17377	11415	37335	83626	54230	21085	16664	19062	12128	18832	0	15798	33088	11847	27339	14395	15618	25811	35951	23891	24921	13227	15950	17241	27735	31824	35225	18468	26269	0	29785	29671	24244	35183	28814	33559	15053	28750	12610	22158	22848	0	16509	50401	Phytochemical	0.37931034	1.3103448	0.0
18	C28 H38 O10 N2	563.25995	563.2608	0.22749893	563.2601	11372	10057	9746	6872	5421	4205	9071	16653	3761	11876	3816	6063	2570	3622	9767	13872	7836	2846	8805	12795	9432	13539	9161	15631	11236	1515	7515	7666	11977	15388	12499	17526	20094	13822	12301	8041	13809	8554	6274	8861	5982	5148	344	0	0	6596	5458	0	14316	7697	9514	9611	5212	0	8991	1206	4719	13967	14016	6731	12594	3856	3028	5404	4135	5066	4125	9109	1957	7357	0	12085	9180	10209	8962	10831	0	8160	7488	7107	6737	5999	10278	9411	4382	4369	13073	6477	6646	14806	27004	18981	20936	4027	7992	0	10272	11527	0	2451	1798	15281	6647	15285	4394	15970	4563	0	12735	3894	Lipid	0.35714287	1.3571428	0.071428575
16	C28 H38 O10 N2	563.25995	563.26074	0.21444924	563.2601	8522	8854	9993	6056	2535	3545	7500	10251	3137	6197	7013	5008	3433	2406	9882	12242	7796	2191	5820	9169	8816	11813	4884	12131	8973	1894	5779	4920	8894	10358	12348	12997	14786	8293	10686	10465	10237	7681	7930	11421	4796	5247	0	0	0	6160	3006	0	13384	8976	8238	8383	4521	0	4349	1094	2199	13254	8002	4883	8118	5587	2161	5514	2542	2287	4531	9822	0	3395	1442	8980	5650	10853	7305	9159	0	6782	6421	5594	4084	4296	5670	6902	2835	2902	7156	6606	5927	0	24176	12634	0	5473	5915	0	5389	7755	1330	1464	0	16838	5340	10503	3592	0	2196	0	7662	2519	Lipid	0.35714287	1.3571428	0.071428575
20	C33 H38 O8	563.2639	563.26465	-0.10229538	563.2639	9201	4932	8131	4233	3101	2767	3882	5586	5271	4827	6413	5465	3615	2950	6726	7348	11478	3229	5496	6168	8184	3531	5818	7183	4822	15011	6231	6875	6511	4799	3967	5783	6506	2689	6856	5273	4834	4565	11176	7602	11965	2333	0	0	0	0	7102	0	6157	6520	5068	3399	3467	0	4836	4404	4080	9095	3749	7911	4014	5909	1801	4207	1628	3674	2829	8823	11891	13119	23706	4329	7567	5304	9155	5664	0	4679	8220	3344	10135	3455	4316	0	5695	3661	7929	5138	5440	8917	5944	4750	6777	4283	3024	0	6799	6488	4110	6229	5241	5181	5445	4981	2290	4041	4107	0	4334	0	Phytochemical	0.24242423	1.1515151	0.0
22	C33 H38 O8	563.2639	563.26465	-0.08333456	563.2639	18676	20582	18072	13880	13709	5320	12632	16731	15748	15738	28069	13497	11029	9412	14971	23727	19113	11287	14540	28012	25590	15181	12139	16359	10673	66422	10400	23554	13867	17172	10983	14013	12836	9888	20457	16765	11169	13280	21452	23545	30861	10255	0	0	0	10149	11314	0	15182	14775	14848	20557	13707	0	16701	19296	8811	14733	14609	15741	18153	12694	13312	12207	7062	10813	11633	23854	42413	47830	73571	12292	13844	8567	13393	13957	0	11021	26518	12161	17289	10124	11362	23279	16632	11334	24734	9933	8015	26225	19357	23254	13819	8326	14030	0	14342	18933	13753	20011	18714	17320	10666	18661	8512	16961	13854	0	13225	11499	Phytochemical	0.24242423	1.1515151	0.0
28	C33 H38 O8	563.2639	563.2645	-0.0929906	563.2639	0	3541	3322	4537	3206	1713	1904	3267	5040	0	6363	1971	3484	4898	0	0	0	0	4940	4269	4365	2104	3133	0	0	17989	0	8153	2675	0	3481	2374	3388	1847	4197	4838	3564	0	2053	5029	6862	0	0	0	0	0	0	0	0	0	4194	2095	3221	0	4682	7783	1763	3752	0	1344	2790	2489	4767	2682	1368	4944	3330	2730	24569	12205	28276	0	0	0	0	2093	0	0	4626	4735	1661	2346	2630	4647	8504	0	5024	0	0	2888	2360	0	0	3540	0	0	5988	0	2890	11308	11145	3107	1863	3599	0	2603	5231	0	2569	2396	Phytochemical	0.24242423	1.1515151	0.0
2	C30 H42 O8 S1	563.26733	563.26776	-0.10677663	563.2673	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8434	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27980	0	0	0	0	0	0	360	0	0	0	2148	2317	0	1007	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.26666668	1.4	0.0
18	C30 H42 O10	563.2851	563.2858	-0.04378898	563.28503	31174	38637	35009	28378	26665	13700	37344	42527	23005	26852	17434	25506	30686	16263	38720	52879	54197	28660	29958	33337	22865	30168	29335	44926	37457	36111	43338	21170	46727	42997	37430	52945	41978	30053	32081	35004	40938	40987	58828	22852	27729	17667	373	0	0	24659	15852	0	49621	38313	38339	43417	22466	0	44597	31523	19984	43520	20280	31856	45142	12832	30813	27376	16553	23396	22761	59701	19892	33852	33065	18429	26623	46573	49230	41470	0	30445	55000	18462	39049	15687	29650	17069	33437	27854	47868	18391	19419	49562	47102	46254	45262	20417	22629	0	31858	37559	25244	44971	48111	50640	29147	42870	12502	35102	26905	0	36058	23700	Lipid	0.33333334	1.4	0.0
28	C30 H42 O10	563.2851	563.2858	0.01078609	563.2851	8865	9926	9084	9511	10696	4989	5086	7567	10315	15006	7976	2440	17155	5868	6345	6590	3932	9515	17386	15961	16168	6810	7747	8199	8189	17384	6254	7706	13542	9647	8356	9927	11178	7219	20917	8666	16435	6046	4933	10160	4634	4495	0	0	0	6727	2723	0	9091	7267	7415	6750	7509	0	12732	9864	3298	10205	7186	2330	9419	5467	14092	11152	4280	9994	6710	3730	11206	29448	20406	5680	3581	5800	5192	7446	0	3165	9862	3799	4943	4156	7759	6854	13429	5445	12025	3944	5505	8360	10705	12294	10691	5052	5785	0	12496	8352	7403	10732	12034	7601	3499	9799	4152	8506	7048	0	5437	12588	Lipid	0.33333334	1.4	0.0
28	C34 H42 O7	563.30035	563.301	-0.07718607	563.3003	3480	4450	5321	5016	3620	1665	3593	8549	3961	2173	5885	2502	4727	2464	4133	4810	4982	0	5453	4763	3391	2472	4576	5707	6186	19870	3259	7015	5925	6011	4637	4632	6770	2832	3272	9277	6460	3738	4807	3619	5551	4343	0	0	0	0	0	0	5352	5082	3490	3197	1801	0	4922	10996	3932	6921	4264	0	6444	3391	2429	5228	1784	4328	4108	4678	13766	9007	9239	3133	2178	7522	0	5746	0	3037	6203	7171	5086	2832	4273	4616	7792	4207	8313	2374	2096	5383	3280	2780	5231	2805	0	0	3489	3841	3007	19117	20923	7012	2635	7579	3079	5178	5764	0	3733	1156	Phytochemical	0.20588236	1.2352941	0.0
20	C31 H46 O9	563.3215	563.32227	-0.008695092	563.3215	7211	8736	12678	4538	7102	3887	10732	12256	7067	3745	1783	5672	3968	5756	7771	12316	16176	5604	9183	5049	6796	2682	7768	6160	11660	0	11263	4566	11658	7608	10252	10671	12454	7796	4035	11760	12951	10908	18240	0	2994	3942	0	0	0	1729	1917	0	7548	5464	7714	10951	4688	0	11220	14180	5434	12891	4327	6103	10599	2265	6344	9199	4405	4614	4671	21652	1336	0	2421	2773	6161	8851	15721	7168	0	5908	15911	2579	10383	2211	8598	0	11961	9624	19514	2041	5973	10608	7904	8840	10199	2130	3269	0	7131	7079	5396	19508	20223	11387	4988	9371	2203	6251	8642	0	7699	4588	Lipid	0.29032257	1.483871	0.0
18	C31 H46 O9	563.3215	563.32227	0.039052457	563.3215	3062	4063	0	2552	1387	0	5351	1583	1226	0	0	1656	0	1448	1970	2389	5205	0	2175	8492	3344	0	1184	0	0	0	4307	0	4621	6350	3744	3510	6995	0	0	4890	2987	2380	7092	3015	2399	1298	0	0	0	1310	1276	0	3774	2527	1930	2292	2074	0	0	2660	1335	3772	3548	9620	0	2664	1981	0	0	0	0	5252	0	0	0	1864	3428	3344	9970	0	0	2001	2205	0	1587	0	10395	2236	3403	1921	4117	0	0	2438	2771	0	3430	0	0	0	3230	2185	1216	5049	2913	6992	0	21379	1393	0	2009	0	2015	0	Lipid	0.29032257	1.483871	0.0
28	C31 H46 O9	563.3215	563.32214	-0.055508953	563.3214	9396	7315	8263	7326	9616	6089	12522	9717	9148	7324	5009	3418	8041	4487	6419	6813	7137	7168	16125	12013	7367	6807	6898	6772	14678	6812	10408	7880	14343	7675	7970	9191	16702	6287	13119	12714	15284	9989	5663	9961	2232	5573	0	0	0	5569	0	0	11415	6568	6630	6392	9023	0	21793	11287	5000	10370	14332	2635	7630	6450	9242	8312	4072	9905	7245	4344	9782	13763	5666	5426	7176	9131	2843	6743	0	6359	12913	3804	5733	4987	12438	6603	10102	7774	13255	3668	6402	5246	10468	15745	11052	3835	3450	0	8246	7963	5157	15221	15818	12269	5260	12488	4977	8443	10468	0	5183	7201	Lipid	0.29032257	1.483871	0.0
26	C35 H46 O6	563.33673	563.3374	-0.08028176	563.3367	7122	7369	9779	6997	0	0	7573	15102	3521	0	7301	9655	0	4169	11522	21418	19376	0	6955	0	0	2452	7299	10215	11221	12922	10037	6914	13259	21249	8656	13026	11346	6364	0	14908	10154	9815	24642	7494	7644	0	0	0	0	0	0	0	8421	18659	8863	9033	3533	0	5737	13299	5341	10307	4997	7231	11125	3846	2123	7426	3008	3527	3028	26721	8958	3638	6878	4937	5583	20826	13561	10600	0	7551	17930	6920	8336	2733	9973	6064	6524	0	17060	3664	4718	25266	4541	5350	10548	6599	0	0	9299	6474	5933	22243	16367	18861	8577	6776	0	12566	6332	0	12949	0	Phytochemical	0.17142858	1.3142858	0.0
24	C35 H46 O6	563.33673	563.3374	-0.047390804	563.3367	3849	0	3660	2922	0	1161	7466	6044	2406	1311	1882	4992	0	1399	5180	10604	18681	0	2943	0	0	0	3014	3545	6058	2963	4788	2463	4665	6382	3996	7469	5219	3143	0	8665	3347	6568	23945	2375	3465	0	0	0	0	0	0	0	4957	8137	3420	2951	2283	0	1950	5282	3294	6122	2372	4883	3138	1153	0	1967	2891	1430	2481	23132	3019	0	2368	1946	3418	7766	11189	7898	0	2731	7148	3965	5212	1702	3847	0	3910	0	11150	1924	1809	16200	2244	4616	4341	1490	0	0	4421	4473	1951	8058	5067	10637	4620	3602	0	5043	2902	0	11252	1478	Phytochemical	0.17142858	1.3142858	0.0
24	C32 H50 O8	563.35785	563.3585	-0.011684141	563.35785	4707	5894	4242	2153	3239	3124	20215	3071	3909	0	2479	4896	4520	6657	5691	18563	17763	2689	8297	1446	0	0	2924	1979	4653	0	12286	1205	6284	4203	2149	6092	5176	4406	2334	5713	6804	3951	23495	1526	1163	2833	0	0	0	1200	0	0	6318	3769	3371	3750	3746	0	5517	5442	2272	17753	2093	2747	7315	1748	3142	4205	2742	3609	3183	24911	0	0	1557	2509	1796	5508	6192	6176	0	2704	3797	2364	2697	780	6993	3824	3834	0	8029	1293	3464	6269	7135	6513	4554	0	0	0	3479	5556	2779	8414	7746	8261	4526	4633	0	5944	4932	0	5261	1740	Lipid	0.25	1.5625	0.0
26	C32 H50 O8	563.35785	563.3585	-0.08752064	563.3578	8759	9634	11046	8312	6911	5079	35979	6743	6379	2563	5193	4531	7696	9084	7261	17659	17055	6550	17811	6017	0	2299	5396	4900	13484	5478	28845	6995	15759	9237	8204	13993	14845	9494	2905	15656	13979	6100	16898	3079	2946	5995	0	0	0	0	0	0	10798	8227	10921	9975	5586	0	12406	13186	7501	26177	7854	4159	14569	3337	6241	9121	8573	8572	13405	21784	0	3169	0	3191	6158	9566	6557	9805	0	9219	7715	0	4697	2707	15084	7787	12677	11064	10742	4468	7459	11515	16155	13213	9929	2575	0	0	7536	9600	7043	15503	13381	17450	7101	8252	0	13157	10434	0	5609	4932	Lipid	0.25	1.5625	0.0
28	C36 H70 O2 N2	563.551	563.5518	0.43011427	563.5513	1735	0	1903	855	0	0	0	0	8053	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4836	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1055	0	0	0	11616	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1487	2272	42756	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.055555556	1.9444444	0.055555556
20	C24 H21 O15 N1	564.0984	564.09937	0.14735831	564.09845	2928	5466	7544	7916	16128	6191	1411	0	20591	3109	5129	2044	39297	6334	0	0	1719	13532	22029	6204	9020	21203	4919	0	0	0	0	1841	0	0	1793	0	2004	0	9453	0	0	2150	0	3597	9167	4514	1530	0	0	17094	45791	790	1424	0	4190	5922	7595	226	24098	15604	6063	0	2848	0	1347	7700	25157	18527	4666	15938	4087	0	2307	0	0	0	0	0	1535	0	0	1637	5146	16781	6288	19499	0	0	23820	8304	4734	6213	5270	0	0	0	3200	23215	15240	0	5228	7936	15306	17226	15492	2811	0	0	27005	0	15981	0	0	19721	Phytochemical	0.625	0.875	0.041666668
24	C24 H21 O15 N1	564.0984	564.09924	0.16359502	564.0985	5717	4918	3817	5324	10586	4958	0	0	11009	2447	2995	874	21944	2611	3092	0	0	13823	11710	4306	6060	13598	3175	0	0	0	0	0	0	0	0	0	1177	0	5967	0	1164	0	0	2295	5107	0	0	0	0	12946	26805	0	0	0	5106	5385	3392	0	15762	11431	3443	1245	0	1307	0	4975	19132	14318	2461	12516	2349	0	0	0	2173	0	0	0	0	0	0	0	3164	8270	3378	15074	0	1145	14854	4486	1086	3090	2004	0	0	2859	0	18120	14861	0	3593	4362	8503	6964	10950	0	0	0	18239	1592	9555	0	956	17919	Phytochemical	0.625	0.875	0.041666668
14	C24 H21 O15 N1	564.0984	564.0995	0.26424313	564.0986	2310	3491	1795	2622	4674	1793	0	0	8990	0	3038	0	22358	1679	1146	0	0	6860	5087	0	7471	14658	0	0	0	0	0	0	0	0	0	0	0	0	7227	0	0	1254	0	1947	4920	1485	0	0	0	5642	19534	0	0	0	1868	2822	2378	0	10487	12518	2033	0	0	0	0	3805	20594	11806	2419	9691	1490	0	0	0	1712	0	0	0	0	0	0	0	3734	0	1547	7741	0	0	11636	3215	1701	1855	3997	3710	0	0	0	22104	10906	0	2245	0	8452	12696	15593	1902	0	0	0	1496	8745	0	0	12596	Phytochemical	0.625	0.875	0.041666668
16	C24 H21 O15 N1	564.0984	564.09937	0.1431535	564.09845	8034	4892	2956	6200	12581	4054	0	0	18444	3803	3529	1217	28376	2835	1677	0	0	16668	10391	2900	10249	19630	2064	1504	0	0	0	1680	0	0	0	0	1940	0	5537	0	0	1722	1449	3898	4641	2976	0	0	0	11516	33072	0	0	0	3782	3578	5824	0	17936	14908	5910	0	0	1618	0	6330	32903	11656	5849	15165	4221	0	0	0	0	0	0	0	0	0	0	0	5869	21357	1598	16375	0	0	21757	6548	2518	4720	2829	0	0	2371	0	25914	13656	0	4438	5629	12989	16385	20422	0	0	0	23012	0	18107	0	0	23100	Phytochemical	0.625	0.875	0.041666668
28	C24 H21 O15 N1	564.0984	564.0992	0.029727118	564.0984	5669	6244	6035	4602	7693	6119	0	0	11471	6902	1960	0	23530	3196	0	0	0	12818	12608	6883	8402	12289	3615	0	0	0	1509	0	0	0	0	0	0	0	10628	0	1763	0	0	2492	5789	0	0	0	0	11811	21859	0	934	0	4648	5415	6964	0	15313	9555	1738	0	1087	0	2024	5312	18486	7134	2867	7439	3203	0	0	2134	2628	0	0	0	0	0	0	0	4040	7649	3057	8524	0	1302	14135	2593	3147	1452	2278	0	0	1970	0	9672	7494	0	6965	5195	5807	6940	6487	0	0	0	15650	0	6616	0	0	20575	Phytochemical	0.625	0.875	0.041666668
26	C24 H21 O15 N1	564.0984	564.0993	0.00758588	564.0984	5479	4716	3542	5866	9447	4818	0	0	9147	6465	2691	0	25765	3410	0	0	0	12910	11689	5535	8650	11183	0	0	0	0	0	0	0	0	0	0	0	0	8303	0	0	0	0	3070	4815	0	0	0	0	10757	27324	0	0	0	5845	3290	4840	0	16521	10355	4480	0	0	0	0	5197	20015	10634	0	9542	2072	0	0	0	2360	0	0	0	0	0	0	0	2148	6409	4604	11394	0	0	15912	6930	0	0	0	0	0	1529	0	10962	17016	0	6385	0	8960	8338	11998	0	0	0	19378	0	5014	0	0	21294	Phytochemical	0.625	0.875	0.041666668
18	C24 H21 O15 N1	564.0984	564.09937	0.09874649	564.09845	6544	5346	5020	6602	14735	9884	1495	0	21006	3339	4115	1896	33538	4491	3749	0	0	17236	15989	3491	11185	22335	4078	2637	0	0	0	0	0	0	0	0	1711	0	11139	0	0	2769	0	2556	8135	4669	0	0	0	15045	39345	0	0	0	6193	9816	10501	0	26136	24908	6894	1742	1402	2321	2133	8832	40790	18643	8206	18423	6352	0	2090	0	3711	0	0	0	0	0	0	1534	4857	22012	5053	20709	0	0	21985	8794	5099	4777	4736	2733	0	2138	0	29758	22697	0	5064	10534	14743	16407	22706	1728	2629	0	24319	0	18524	0	0	32571	Phytochemical	0.625	0.875	0.041666668
24	C25 H25 O14 N1	564.13477	564.13556	0.103019424	564.1348	20158	19856	21383	23334	34648	25560	4407	4281	32694	47094	13555	2552	85391	9603	9246	0	0	56991	32841	40521	59311	40823	9594	4434	0	4761	0	6849	0	0	4143	0	0	4743	50200	0	8808	4830	0	26175	18703	0	0	0	0	102793	122036	0	0	0	24045	20015	15871	0	52103	34430	8313	6579	6273	0	3765	33102	46862	34209	6897	29348	9855	5049	8829	22267	20601	0	0	0	0	0	0	8394	13722	26646	13883	81408	3951	16907	33410	19653	13503	6666	10128	6318	6804	15783	9453	65168	136580	0	14072	10734	24888	17781	32541	5082	1688	10062	88649	0	27816	0	3939	62851	Phytochemical	0.56	1.0	0.04
14	C25 H25 O14 N1	564.13477	564.1357	0.117584385	564.1348	18551	16844	14161	16122	24994	9464	7314	2921	28888	43878	26061	4450	43917	8060	8703	7832	7191	30556	25654	38963	42874	65815	8136	11921	2597	5604	4813	0	4495	2423	2500	7405	7378	3055	60071	2329	6258	5520	4499	20310	31581	10555	0	0	0	44303	77858	0	3447	3638	14248	20842	13830	0	34893	21693	6228	5598	8871	6856	0	22147	42668	26313	10367	24373	8102	6777	16077	11395	10324	3246	4227	2326	3393	4390	0	4001	14044	45155	7180	33200	2366	10348	31241	15074	11553	7683	7939	10290	7799	7929	9188	66786	62595	0	15636	21238	21463	25078	28594	0	4737	10844	59261	7918	27894	0	4876	33862	Phytochemical	0.56	1.0	0.04
28	C25 H25 O14 N1	564.13477	564.1355	-0.019963676	564.13477	3341	3704	5000	4917	5867	4655	2441	3086	8626	13379	4726	2103	15390	3601	4449	2921	0	10145	8707	11008	11088	10128	3130	2810	2618	3827	0	3751	2898	3413	3105	1924	2565	2936	14254	3017	2549	2436	3619	6505	7066	5582	1910	0	0	17146	22922	0	1979	3370	4552	2752	4119	0	11069	7660	3046	3192	3027	1514	3288	5773	11054	4795	4592	4927	5241	1753	4898	7234	6499	1983	2212	3631	0	1624	0	2121	5189	8447	3582	11178	2198	3458	6420	5429	4542	2561	2868	2613	6586	4804	4917	9587	15490	0	3974	4255	5498	4441	5067	2207	2853	3826	16452	2293	6858	0	3284	11478	Phytochemical	0.56	1.0	0.04
26	C25 H25 O14 N1	564.13477	564.1356	-0.005758803	564.13477	3797	4425	6302	3290	6350	4390	0	0	6608	14488	2905	0	16574	2782	0	0	0	10723	6254	9754	13332	10706	0	0	0	0	0	2257	0	0	0	0	0	0	14064	0	0	0	0	4896	4492	0	0	0	0	19819	29401	0	0	0	3170	3003	3284	0	10973	0	0	0	0	0	0	6781	17200	6386	0	5962	3147	0	0	4854	4941	0	0	0	0	0	0	0	3223	5670	4298	19697	0	0	10129	8076	2331	0	0	0	0	2843	0	8369	22072	0	3363	0	3413	5130	0	0	0	0	23176	0	6194	0	0	14578	Phytochemical	0.56	1.0	0.04
20	C25 H25 O14 N1	564.13477	564.1356	0.11498468	564.1348	23049	18272	17642	16123	22438	21978	4422	3649	35770	35287	11110	4288	63677	9915	9747	5184	3825	46365	39346	38929	38300	44805	10695	6439	5130	6752	3833	7442	3324	4274	5054	3730	4257	1904	44261	1576	3736	5478	2590	30265	16476	9099	1006	0	0	66150	91950	0	4871	2642	16031	16578	16514	348	45269	32492	10987	5432	6032	2705	7821	22334	45245	25744	8267	28383	15186	1604	9777	13691	13377	3491	3129	0	1926	2597	274	2686	9543	32600	10393	54195	5014	10386	38388	20123	9762	5870	9352	4853	7527	11323	9372	45084	61481	0	13905	20032	22045	23603	25651	7562	2488	6880	71478	6622	25602	0	5293	45305	Phytochemical	0.56	1.0	0.04
16	C25 H25 O14 N1	564.13477	564.1357	0.1459467	564.1349	24937	36686	23847	34101	37618	24649	7567	10767	51686	73354	35023	10246	94014	20997	16069	12838	11989	65820	65276	63084	82259	88022	23182	13767	7909	9793	8037	11895	9818	4156	3667	3651	16904	9668	91961	6579	14048	12451	5687	40858	42455	15937	796	0	0	95427	107289	0	10001	9342	25748	33867	28146	0	57516	49158	17405	5098	11834	6086	11461	38163	91078	48710	18798	50495	23016	10823	17632	16056	17477	8667	8942	9524	8209	6327	0	10547	23362	64557	15347	69831	7610	19189	47704	26971	22521	14122	12101	0	10409	13804	0	83273	111713	0	43344	34900	40481	37249	35973	16820	9556	14370	97060	0	40947	0	7879	62373	Phytochemical	0.56	1.0	0.04
22	C25 H25 O14 N1	564.13477	564.1356	0.19571638	564.1349	15381	9220	7196	12483	12484	8275	2098	0	16890	18539	7387	2919	32377	8386	4176	4039	0	28843	16930	27170	23174	30438	7035	5206	4276	2588	1268	2957	1705	0	1575	0	2999	1986	30020	0	4432	3287	1186	12939	14301	5400	0	0	0	47442	58339	0	2489	0	11534	10339	8217	0	24253	17055	5433	3444	4802	2005	2172	17116	31131	19391	5345	16847	6575	1712	7289	9725	7827	1743	0	0	0	1503	279	1846	7401	20402	5967	37149	0	8979	20373	13567	9665	2072	5139	4015	4468	5278	5429	31144	41566	0	8067	12018	13023	13922	15798	2844	0	6220	44299	2177	15932	0	0	33354	Phytochemical	0.56	1.0	0.04
12	C24 H25 O13 N3	564.146	564.1469	-0.004808942	564.146	4401	4499	5363	3332	4779	2574	0	2306	6320	0	0	3578	10108	1868	2168	3513	3606	6383	6641	3480	5405	16142	5374	3580	1707	0	0	0	2290	2844	3698	1403	4665	2142	7982	3202	3912	4476	3115	6663	9675	4026	0	0	0	12127	24194	0	3024	1765	3636	5143	3676	0	11025	5184	2232	3715	0	0	0	3477	15361	6128	2058	7213	4847	0	0	0	0	2378	2542	2600	4100	1037	0	3916	6904	0	4108	11154	1770	2900	3736	3920	0	1841	4220	8326	0	3565	6123	8366	4542	0	6297	5587	3078	7673	5712	2194	2673	4244	0	5654	3999	0	1313	8876	Phytochemical	0.5416667	1.0416666	0.125
18	C26 H29 O13 N1	564.17114	564.172	0.0385287	564.1712	275029	285683	223500	213095	166100	169881	82126	167331	267130	766139	359280	69633	324774	95067	144810	147827	70950	299469	368536	520200	503093	496661	223521	152460	125859	250840	77756	224499	121315	128373	167628	168659	190111	30738	904014	44678	211288	209650	14064	415240	241169	93735	7354	0	0	670123	421795	0	134642	125965	225516	263128	139465	262	421429	172554	106289	127155	134419	78270	167097	248653	528918	245706	110174	267892	156178	27712	235889	368631	314586	150916	110078	137274	106805	26724	0	109439	161337	243036	154133	494326	102555	251230	237327	140836	150695	116619	127779	86211	149194	249450	228155	261548	487100	0	227131	159671	251793	198404	175078	151966	98945	201982	424821	68327	198298	0	148482	319620	Phytochemical	0.5	1.1153846	0.038461536
26	C26 H29 O13 N1	564.17114	564.17206	0.094959036	564.1712	4442	3857	5542	4327	4997	5533	0	0	7676	18495	5080	0	15355	0	0	0	0	10176	7961	16379	12513	12409	0	0	0	6208	0	3765	0	0	0	0	0	0	19530	0	0	0	0	11375	5300	0	0	0	0	25180	27561	0	0	0	4869	3446	5762	0	9725	0	0	0	0	0	0	5189	9399	6574	0	8566	2701	2032	0	10534	8863	0	0	0	0	0	0	0	0	5380	3308	13945	0	5014	9592	0	2370	0	0	0	1432	3143	0	5703	16420	0	4909	7541	5147	2689	6412	0	0	0	16633	2428	4703	0	0	13741	Phytochemical	0.5	1.1153846	0.038461536
14	C26 H29 O13 N1	564.17114	564.17206	0.11758336	564.1712	30589	32210	27783	36134	23284	20834	10237	26616	29639	101562	53030	16818	46732	14224	23330	24272	14943	27827	41496	74960	70820	74255	20621	23966	17407	30418	11111	22886	20823	23034	12524	24924	25946	15208	113536	19817	26444	13804	17536	54985	62742	16659	0	0	0	75393	98129	0	22354	21817	30302	28106	16747	0	44218	23352	13402	18602	30501	16324	0	45390	48530	32238	16331	30773	19988	12928	32866	41177	39251	20601	17532	23627	11306	18516	0	15039	22085	45351	19083	53205	13130	32082	28883	17287	23074	15141	14609	22696	16503	26676	34483	56485	63028	0	39084	37634	25105	21294	23831	24099	13904	27759	85177	14675	20754	0	13936	41233	Phytochemical	0.5	1.1153846	0.038461536
24	C26 H29 O13 N1	564.17114	564.172	0.13469483	564.17126	7419	10433	9999	8241	13107	9024	0	4396	13379	35489	7349	2500	22670	3784	5538	0	0	18851	13711	19000	22406	14783	4598	5142	0	12702	1203	5222	1566	1663	2184	1872	4616	3356	35142	3341	5631	1551	1538	17138	9860	2911	0	0	0	32004	39555	0	0	0	9776	7609	7494	0	18402	10684	2815	3312	2228	3595	2669	15789	24677	11924	5086	9223	3416	0	13789	17835	12265	2374	2150	2638	1524	2233	0	2633	5935	8844	3166	26785	1768	10073	15909	6250	5886	2596	2802	2068	6044	4210	7136	13820	17168	0	8387	10114	9310	10158	11815	2747	2346	3004	28168	3367	12373	0	0	22091	Phytochemical	0.5	1.1153846	0.038461536
22	C26 H29 O13 N1	564.17114	564.172	0.094317	564.1712	45432	36102	37566	42512	42864	41984	5496	22354	57460	129768	20950	9622	85132	35064	17527	18382	9583	71312	45974	98882	87364	74378	22139	22955	22385	49678	6874	25988	10030	13341	13652	0	21066	16022	127684	11726	25336	15308	8128	76086	49820	18772	0	0	630	162072	121164	0	15002	11873	34700	42604	36418	0	71278	34890	17740	18374	12742	10279	16006	54788	80520	53784	22862	56688	23748	5016	41912	75598	58406	12014	12256	13245	7486	12056	0	11760	21398	39418	24214	90500	13686	46190	59474	33976	22366	13644	17520	7354	25014	35838	18306	61702	97080	0	47762	47522	48220	32942	38652	17816	10924	26429	118926	14574	49884	0	7756	81550	Phytochemical	0.5	1.1153846	0.038461536
8	C25 H29 O12 N3	564.1824	564.18335	0.036366127	564.18243	9838	8985	10357	11369	5726	2623	3822	8876	6469	5971	3759	6099	8097	1646	6447	6976	7430	6233	7041	9235	11720	18958	7244	13988	3951	1013	4389	2293	7251	6463	7192	8890	8342	7538	12151	6746	8306	5648	8716	10087	15369	5426	0	0	0	20315	14655	0	11071	6355	9657	10178	3752	0	9821	5175	3618	9401	5141	8161	10359	5554	11996	8719	2840	7260	3774	12593	0	4091	2224	7784	8885	5299	5137	6182	0	4895	11095	5642	7524	5988	5118	7150	7755	3595	8578	5708	4044	15114	0	6033	18037	11500	10931	0	9861	9779	5500	6610	6514	9583	5771	11253	7790	9513	3896	0	6566	11122	Phytochemical	0.48	1.16	0.12
14	C25 H29 O12 N3	564.1824	564.1832	0.027725335	564.18243	54810	41211	42186	62908	38901	24597	41709	59691	54718	56486	30021	29385	50140	0	42384	47331	34443	62652	51409	62561	46591	92649	53129	70044	39216	18845	37119	0	59384	38022	42588	37494	83684	31668	79532	47427	0	51531	46108	58726	42059	26865	0	0	0	76428	53688	0	51747	41958	52638	41054	36453	0	50391	70255	20284	74568	59547	29766	0	35668	60036	55052	18465	37691	41715	45837	0	28694	9621	38001	40545	35601	30465	31299	0	47676	51631	0	40728	95678	42343	34380	43117	22746	50782	30531	38415	90747	60369	62700	105331	29546	65343	0	48564	74244	27364	34806	20754	60273	33294	60252	0	53532	31632	0	50449	61629	Phytochemical	0.48	1.16	0.12
12	C25 H29 O12 N3	564.1824	564.1833	0.11136062	564.18243	19508	20205	19728	17360	10398	9621	13544	20656	12723	15621	4550	10811	19033	4093	0	16498	17216	14666	16625	24215	16584	39068	20596	32958	16511	0	8996	0	16459	14037	15923	14745	26254	18258	27703	13237	16309	16207	21910	28117	14808	7989	351	0	0	31394	19405	0	15058	17368	16607	17150	12180	0	0	9718	9083	23288	30796	18585	22744	16982	21018	13994	6154	13950	9674	18577	0	5818	6269	17516	13568	14019	11952	15314	0	16055	20136	0	15567	32634	13978	9792	11346	7949	24538	9619	12155	35300	11121	23401	40044	17475	15473	0	19795	17713	7154	13761	8795	19155	14219	18965	0	19180	10843	0	13001	22652	Phytochemical	0.48	1.16	0.12
10	C25 H29 O12 N3	564.1824	564.18335	0.09075332	564.18243	26312	25514	19156	23931	18349	12959	13709	25652	18170	44614	20126	14006	23486	3295	14649	21141	23497	20410	28017	29728	39555	47465	20616	28893	10166	7551	13134	9661	15058	17861	14604	22103	29216	18310	64689	17549	21873	15374	22424	30325	37502	12048	0	0	0	34226	19296	0	21397	16767	26745	26018	13350	0	24794	17660	12170	23950	16298	20566	20593	18920	33037	23742	6790	19840	17142	25227	0	14481	11248	20966	20260	15678	16388	12288	0	13292	21986	16333	18453	22029	15937	12398	20394	8860	21206	12836	14133	34336	7937	23882	39443	24909	27715	0	26875	25364	14079	19054	19867	24473	13648	28140	0	26889	15634	0	14397	35085	Phytochemical	0.48	1.16	0.12
16	C25 H29 O12 N3	564.1824	564.18304	-0.15065295	564.1823	352960	304951	281018	324036	232321	169005	185987	172061	268837	713397	282833	177458	354850	112669	264229	326070	146065	329427	360598	375390	583914	494121	220354	264858	160960	256707	148857	175498	211007	221583	220839	240449	183314	208015	753831	217557	322975	189053	165574	408183	333758	121335	729	0	0	598558	506256	0	222793	114175	313360	326186	230495	0	429671	156228	153813	254526	268911	119901	31854	322782	453940	151683	144857	277892	157194	131114	189354	324533	313308	187788	112495	120270	197940	188023	0	191167	244231	158527	245288	420595	208841	299300	260514	173850	234751	143031	122790	27200	316869	222211	55748	296057	350042	0	319967	361959	168501	174523	226826	270684	176144	190469	322853	24182	226463	0	193747	421780	Phytochemical	0.48	1.16	0.12
20	C27 H33 O12 N1	564.2076	564.2083	-0.005805253	564.2075	77621	69582	81511	65588	65185	53506	25013	60418	80959	204380	69935	29122	116094	41810	46400	53256	21963	95539	112105	174944	173602	98543	64098	57640	50197	118371	24921	68627	61086	46181	45244	53790	52857	44409	228620	54843	57490	36319	26758	116856	70142	44259	2587	0	0	149168	120927	0	40625	51559	69739	68294	50839	0	93938	69241	35649	50120	58691	19536	58801	85025	92145	58414	34246	67439	47266	28420	81031	152316	103556	56286	49476	46427	35627	39011	0	38970	54267	51339	41063	76437	38897	101798	87615	44458	47418	35305	44963	30451	54680	68205	87396	60921	95715	0	75236	74659	65770	44946	61767	55211	34761	68655	102874	52340	63805	0	39409	103565	Phytochemical	0.44444445	1.2222222	0.037037037
14	C27 H33 O12 N1	564.2076	564.20844	0.08980406	564.2076	28085	43565	34739	39251	16074	18836	21572	41295	26936	80930	40079	22313	30647	12422	30152	33148	22735	30864	32366	76330	67760	58422	30631	44742	30222	42933	17122	34899	36108	35575	25893	40457	38246	24106	97538	34454	28996	24085	22971	52948	59786	17056	0	0	0	51168	54413	0	36176	32439	43382	29534	18717	0	35841	22284	12154	37575	37394	24271	44031	44866	38928	26239	12993	27213	22024	26655	25697	45715	36860	31694	29241	34335	22352	29430	0	24188	29575	27166	26599	32020	25831	38717	24594	16467	27271	20405	17414	45631	27830	37386	54402	33792	46141	0	33709	43383	19555	15143	21375	36775	23233	46981	42765	25765	20550	0	25312	32176	Phytochemical	0.44444445	1.2222222	0.037037037
24	C27 H33 O12 N1	564.2076	564.2083	0.03354437	564.2076	16466	18799	17073	16130	23827	16295	6920	10945	22746	55643	17232	5776	54565	13465	9076	15023	3078	35710	26741	43042	42967	20206	14670	13305	9637	31358	3842	14335	11879	7101	7104	6716	9432	9027	52725	6860	10082	7311	4137	27750	17808	7906	0	0	0	41877	42169	0	7464	10212	21690	12482	12193	0	31702	23952	9371	11841	10098	4391	11741	23556	27556	19337	9538	23652	9730	5175	23809	48456	38299	21220	8881	6724	3956	7105	0	8112	12724	10531	13615	26968	7044	21072	26617	15470	12777	7647	9624	5656	10583	9080	19273	16470	24558	0	16201	19239	13466	16452	17988	7744	7050	11986	30831	9694	20024	0	6107	35746	Phytochemical	0.44444445	1.2222222	0.037037037
26	C27 H33 O12 N1	564.2076	564.2083	0.020534541	564.2076	10596	6224	8444	5924	11815	9124	3330	7129	11025	28931	7453	3847	23645	5120	0	0	0	11160	15004	26034	24391	8281	0	6491	0	18721	0	8192	6026	0	3914	0	4458	4302	26842	0	7204	0	0	15071	11395	0	0	0	0	19669	23555	0	5890	0	9546	6115	7945	0	10619	10293	3657	5396	3377	0	6337	8691	15404	8783	2849	10985	4494	2938	14567	28983	27439	5431	3202	0	0	0	0	3391	7626	7838	5487	11504	0	8017	10901	0	6714	2916	4550	0	4135	3110	6491	7823	9817	0	9526	8557	7572	11043	9982	0	0	0	9985	3653	10931	0	3083	16736	Phytochemical	0.44444445	1.2222222	0.037037037
22	C27 H33 O12 N1	564.2076	564.2083	0.030872675	564.2076	152422	133562	151915	136536	100884	101259	39168	131719	182161	383962	205298	63567	185914	67383	83737	75243	43677	178964	170052	361763	292353	154265	108022	94633	86079	311540	28250	180040	76603	73592	93776	74685	79349	93603	418797	73832	105884	69936	57885	220717	180738	66607	2380	0	0	268228	189992	0	103483	82329	154774	125472	80981	0	197799	119270	56226	104774	82732	46914	106580	166457	199072	145382	50282	150474	93648	55754	244798	420928	374627	92982	63001	91915	47478	87185	0	70900	116938	111618	101915	154921	82001	144763	131369	96968	98048	63351	62426	65742	116190	114355	142582	107883	161446	0	151900	142678	128490	91411	104281	99406	57967	104909	152019	93873	110052	0	63969	196794	Phytochemical	0.44444445	1.2222222	0.037037037
16	C26 H33 O11 N3	564.2188	564.21954	-0.12110952	564.2187	52608	50236	24522	46487	27580	20176	29125	45777	30164	79986	36848	25065	42354	4710	35031	49016	21258	47456	41624	79210	56232	61500	49286	51405	45516	41018	31177	26704	43971	37304	34914	45061	55411	33855	105858	47224	17052	39619	34310	45129	41548	28984	0	0	0	57753	40168	0	54717	36371	46554	49306	31742	0	45445	27553	15810	37134	42626	22598	53695	30345	37306	29964	17693	37443	35836	23448	40958	69736	55472	38692	38159	42974	39712	37273	0	30085	45598	0	36610	36940	40181	35187	21809	26869	44596	21407	29407	0	41530	53770	63732	36214	34015	0	47466	39033	31907	20026	27531	46753	33097	47734	21490	24897	29848	0	38487	23386	Phytochemical	0.42307693	1.2692307	0.115384616
12	C26 H33 O11 N3	564.2188	564.2197	0.090857856	564.2188	14367	20273	24677	20480	7253	9334	27149	0	10588	14985	5711	11493	9225	3963	23289	21716	12371	10496	16706	18219	16146	45834	23450	26909	26888	1957	15833	0	24539	17789	23511	17051	26707	14813	21171	20878	27363	27310	14723	23828	14637	9335	0	0	0	16022	13969	0	19312	21068	19595	19122	9713	0	19037	6996	8873	34761	27572	11294	0	15058	10417	9542	7523	12192	9367	20041	0	8106	2601	20644	17421	16221	9422	15775	0	19735	22573	0	18362	13396	22136	12443	8784	10357	26439	8237	9441	48219	26814	37159	51300	12349	10226	0	16986	17275	9700	7349	7387	21117	11799	20332	0	32124	7471	0	21760	12237	Phytochemical	0.42307693	1.2692307	0.115384616
24	C31 H33 O9 N1	564.2228	564.2235	-0.09155852	564.2228	2152	3576	4056	1638	1821	0	0	1544	2488	13769	11741	1201	0	2033	0	3977	0	2606	3689	11325	7910	2710	0	2587	0	18270	0	12025	1666	2509	1758	0	1396	3048	7061	0	3621	0	0	9874	7491	0	0	0	0	6714	5936	0	0	3011	5966	4242	1499	0	0	0	0	2095	0	1374	2136	5784	2675	1565	0	2512	1973	1493	17904	15596	28656	0	1738	0	0	2012	0	1231	1773	4546	1656	3492	1988	8568	2757	0	3306	1817	3468	2712	0	0	2830	5590	4249	0	1938	3419	2688	0	2654	2156	0	2195	0	1748	1968	0	2926	2049	Phytochemical	0.29032257	1.0645162	0.032258064
28	C28 H37 O11 N1	564.24396	564.24475	0.054889936	564.24396	5567	6295	6366	5606	7248	2538	1707	3261	6356	16557	5857	1686	13890	2362	2387	4801	3200	6838	8168	14575	16022	3293	4344	4274	3002	21142	0	6093	2910	2548	3830	2686	3506	3321	17182	3999	4861	1836	2184	9019	5583	3140	0	0	0	7091	8672	0	3921	3260	5833	4504	4917	0	6332	8019	2681	4472	1939	1068	4903	5335	11332	5592	1318	9341	4281	2659	14314	29812	23009	4376	2567	2676	2327	2459	0	2605	4939	2036	3886	4641	2833	6851	5889	2998	5494	2616	1256	2061	3226	4659	4780	2445	4387	0	6461	6574	4549	4495	6576	2392	1869	3801	4993	3472	4022	0	1577	10022	Lipid	0.39285713	1.3214285	0.035714287
26	C28 H37 O11 N1	564.24396	564.2447	0.019130243	564.24396	12726	14245	15665	14811	23857	13174	4036	12579	16834	37628	13855	5187	31073	8179	13363	13167	0	23521	24495	42631	36553	15239	12920	16016	8386	36220	2233	14819	10199	9978	9039	6263	9911	9658	38622	8481	10138	5712	7470	22624	14260	7310	0	0	0	20400	18687	0	14193	15962	17672	14534	14293	0	25314	17602	7082	9453	7021	4683	16497	13061	28843	14128	4643	23634	9130	6107	40461	63152	54542	14059	9730	6984	0	7043	0	6227	13809	6492	11508	12301	7586	13202	19363	15468	10227	8050	8605	9390	11427	10095	15769	8809	14949	0	17507	16549	13265	14230	17979	7141	5632	9020	15669	8328	16288	0	4739	26956	Lipid	0.39285713	1.3214285	0.035714287
24	C28 H37 O11 N1	564.24396	564.2446	-0.012005771	564.24396	45825	41284	36996	40897	47152	34637	9398	33147	51690	95464	42103	13567	83333	28550	31658	36768	10795	56600	67747	106131	98579	40584	35716	45377	25913	83841	9364	32761	30257	27697	25102	27835	29655	27015	118784	29945	40948	23337	15276	57305	34754	18283	0	0	0	59329	43105	0	31744	25141	36867	37559	32765	0	61124	43768	20130	27064	28653	13886	34478	43855	64392	44786	19031	49862	25931	13152	63581	127427	108277	30856	27582	26126	15893	22003	0	21632	37018	19404	28159	34777	18760	37471	49582	26706	31212	20123	24145	20413	27231	36819	43652	23944	46265	0	41725	40570	34847	32042	42606	32460	18286	36308	38251	24688	35497	0	21310	62702	Lipid	0.39285713	1.3214285	0.035714287
22	C28 H37 O11 N1	564.24396	564.2447	0.009372058	564.24396	88397	81588	80393	77814	89892	72967	35267	94001	97657	200095	87582	42274	127207	55400	69902	76226	35914	131398	138097	199114	170218	96766	81533	91931	71668	159683	29048	79769	79119	58491	68162	83996	79334	71848	220110	78517	90393	48116	36310	128170	69724	56455	0	0	0	138266	88060	0	72134	67955	84083	87534	67818	252	116288	85275	39968	79080	73749	33989	91328	91884	118084	81394	37956	84816	56978	36410	139995	238874	158679	75207	64584	71768	35001	57702	0	58268	61695	39182	71365	68858	49391	76734	95618	65099	67005	44282	60877	42637	77490	97802	94439	55424	87072	0	75678	96310	77457	61113	71658	75246	49252	83470	79280	69837	79154	0	45394	122700	Lipid	0.39285713	1.3214285	0.035714287
18	C28 H37 O11 N1	564.24396	564.24475	-0.005003592	564.24396	89942	87754	84292	76344	55014	42376	43443	108392	59661	137698	80649	49270	82887	33172	75908	87021	62453	87435	98077	183702	151477	94333	83443	99245	77294	135712	43244	73305	103544	84674	72823	84103	96896	87013	149725	100534	99455	57841	47301	106345	81319	55172	2287	0	0	97093	86725	0	93155	83728	79391	75110	51906	0	83494	55428	34995	91768	73372	47374	96056	76695	63123	61561	37236	62362	45431	62603	99469	161662	132804	87877	70732	86651	63878	82294	0	53286	71225	51832	61059	68825	59538	75960	72473	55715	67269	51320	53446	64856	72448	85461	122236	46615	91303	0	81183	90432	55788	46401	59319	98416	49683	91917	57023	76605	53805	0	53804	71273	Lipid	0.39285713	1.3214285	0.035714287
14	C28 H37 O11 N1	564.24396	564.2449	0.12255231	564.244	20413	25148	19037	20643	7765	7538	13143	27975	8399	37183	23643	14877	15145	5893	16020	32995	18970	9760	16376	33125	32123	35113	18655	24836	16900	27076	12964	19186	17087	22670	17707	22013	24574	17010	44068	29493	19113	12765	17400	28172	22124	9906	0	0	0	20166	15833	0	20173	26855	16056	21096	8230	0	12291	10918	5880	20643	22551	15331	25681	17686	10693	8427	5428	10265	11758	23048	20465	30375	22159	17291	17176	25796	22275	13814	0	14875	14878	0	13048	11157	21064	16492	9948	6842	20586	10643	10979	27180	15068	21221	29569	14128	21877	0	26019	25176	8689	8381	13272	19560	13872	27261	0	17998	9838	0	13307	11397	Lipid	0.39285713	1.3214285	0.035714287
12	C28 H37 O11 N1	564.24396	564.24493	0.19650674	564.244	8967	8099	8733	7800	3255	4579	10698	13840	5061	16411	7096	6508	4338	3229	6775	9844	10591	7330	9012	20251	15781	14160	6514	12786	9278	8138	4531	0	9106	7901	9762	8737	12522	8596	24703	9397	9596	5246	9516	13264	11459	3410	0	0	0	11872	5596	0	12405	10737	11289	14629	4290	0	6335	3293	2191	11051	7445	9145	0	6212	6502	6450	3007	4152	5438	15163	0	14768	7648	9145	7785	11119	11828	6676	0	7418	7881	0	6021	5280	6710	6860	6366	4252	9300	5600	4295	15582	11338	9714	14221	4894	12536	0	11784	13099	4511	5911	4172	11066	5065	15239	0	7912	2094	0	8500	5800	Lipid	0.39285713	1.3214285	0.035714287
8	C27 H37 O10 N3	564.2552	564.25635	0.42285767	564.25543	8394	15440	10032	8361	0	5250	5988	10371	0	10092	0	4785	2928	0	10758	6738	3891	2844	4839	11481	6045	14898	9954	12354	10701	0	4863	0	17574	7746	10410	14436	9990	10383	7983	6909	11847	7704	7164	9237	6315	3423	0	0	0	9933	0	0	7068	8508	6738	4029	3906	0	4401	1827	3948	11571	5742	2622	15843	5145	2529	3960	0	2574	4491	5781	0	0	0	8403	7612	7512	6429	11995	0	6003	7398	0	5598	4803	2922	3609	2157	0	11529	4074	4473	11100	0	20055	27717	5298	6777	0	8532	5496	4377	0	0	13227	4524	5463	0	16200	0	0	15486	0	Lipid	0.37037036	1.3703704	0.11111111
16	C32 H37 O8 N1	564.2592	564.25977	-0.2176432	564.2591	43843	35691	22350	21144	11010	15000	8678	22032	20723	38150	18768	14751	13948	7239	27470	31578	28592	17685	13047	33692	28830	19368	23870	33851	17604	40015	18462	13428	35868	22332	32554	26886	32174	20593	27744	30786	32113	24410	29714	16248	20541	13169	0	0	0	24134	15417	0	22884	25788	25452	40736	18694	0	29239	12843	12782	30318	29565	22905	0	18441	24753	15891	3451	12860	19914	40265	15609	38700	43025	21796	26219	33629	31053	37242	0	22539	43289	14178	32718	1350	25425	16890	21066	12312	44801	15247	19542	0	7298	10558	0	15706	12399	0	24803	34697	18246	18544	19977	27694	17016	19107	0	0	20140	0	29933	17178	Phytochemical	0.25	1.15625	0.03125
8	C26 H37 O9 N5	564.2664	564.2672	0.420344	564.26666	2555	1542	1260	3186	0	1649	1479	0	0	0	1067	860	0	0	1371	0	0	0	0	0	0	1065	0	0	1509	0	879	7227	1600	0	947	0	0	1032	0	1300	0	0	1292	0	0	0	0	0	0	0	0	0	1714	989	1991	2852	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1007	0	0	0	893	0	1087	0	0	0	678	2236	57421	0	0	651	0	0	0	812	0	0	2620	119710	32942	2263	9424	2043	0	1502	2236	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.34615386	1.4230769	0.1923077
6	C26 H37 O9 N5	564.2664	564.2671	0.40155768	564.2666	0	1829	0	1231	0	605	658	995	0	0	0	0	0	0	0	1295	1022	0	0	0	0	930	693	1467	492	0	607	0	1157	670	729	1016	1373	0	0	851	764	0	1089	0	0	0	0	0	0	0	0	0	0	820	840	1062	0	0	0	0	835	0	0	0	905	0	0	0	0	0	0	1184	0	0	0	804	1023	839	0	815	0	975	697	39537	0	0	0	0	0	0	0	0	0	0	24371	8131	1059	8438	0	0	1665	0	0	0	0	974	0	0	0	0	0	0	641	645	Peptide	0.34615386	1.4230769	0.1923077
6	C31 H37 O7 N3	564.27045	564.27057	-0.8223465	564.26996	0	0	0	0	0	730	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	863	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	37665	0	0	0	0	0	0	0	0	0	0	42517	14708	0	1414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.22580644	1.1935484	0.09677419
18	C29 H41 O10 N1	564.28033	564.2811	-0.008951488	564.28033	38639	33156	31165	30181	20806	20044	29099	47752	21383	35256	21305	30597	29441	15157	36154	62662	32942	22238	40929	48296	53576	28939	40883	53735	30644	52026	26841	24597	60831	41253	38479	54065	51102	30380	30374	44706	39102	30152	40079	31952	24022	25929	656	0	0	38221	23256	0	41136	41702	38378	34789	19986	0	38837	25741	17284	43635	25812	27096	47520	24982	26187	25040	18685	26491	27913	39494	39985	59744	57773	31291	32003	41693	38660	35654	0	25460	40068	19367	33031	18188	28986	26883	31947	18333	40823	20519	23748	47104	44733	43571	54466	13751	28153	0	31643	39742	22201	24101	29749	44397	24821	48241	18872	32982	29526	0	38624	23774	Lipid	0.3448276	1.4137931	0.03448276
16	C29 H41 O10 N1	564.28033	564.2812	0.050876934	564.28033	11237	12185	13908	15314	7374	5434	11919	19589	5840	14686	7731	11446	5751	3148	12088	19466	20051	7661	13265	19970	15742	9667	12228	22179	12993	15727	12234	9166	14214	17530	16223	16346	15452	10584	11686	16597	11787	10571	18989	8922	11427	8881	0	0	0	12280	5794	0	23576	15056	11240	14516	7890	0	11236	4918	5715	20387	7392	8915	19882	6270	4802	6544	5330	8083	7526	20775	12646	13637	15595	13036	14319	21324	16606	14334	0	6684	11348	7834	11453	3422	11257	6888	8734	6438	11200	5445	5319	0	20127	14202	0	6600	9132	0	13724	16770	5686	7744	7199	19524	9183	19741	3291	12697	8449	0	17707	6684	Lipid	0.3448276	1.4137931	0.03448276
28	C29 H41 O10 N1	564.28033	564.28107	-0.009624958	564.28033	7335	7452	7332	7468	11215	3340	3421	5909	7208	14574	5857	3122	14519	5607	4038	7549	3799	6960	10645	17510	16424	4907	5311	6567	3543	31027	2419	7912	5555	4792	3482	3232	5881	5218	18709	5233	7764	3681	5946	10216	8104	3392	0	0	0	7710	5713	0	6251	5275	7100	5249	9069	0	10215	9236	3342	6053	2555	2657	6993	4231	10262	7552	2750	9590	5184	1920	26002	37514	40187	5371	2699	3322	3400	3321	0	2733	10028	0	5307	3520	4979	6807	11268	3297	7968	3382	2074	3830	6713	8073	6110	2826	6536	0	6812	7872	5637	11715	10816	6907	2077	7750	3715	7294	7189	0	2189	9434	Lipid	0.3448276	1.4137931	0.03448276
8	C27 H41 O8 N5	564.3028	564.3034	0.3951196	564.30304	0	1263	0	0	0	17022	0	1223	0	0	0	0	0	0	0	1370	0	0	0	0	0	0	0	0	731	0	0	6293	0	0	1295	0	0	0	0	0	2048	671	0	0	0	755	0	0	0	0	0	0	1402	871	1033	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	40931	0	0	0	0	0	0	0	0	0	0	33542	13909	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2962963	1.5185186	0.18518518
14	C27 H41 O8 N5	564.3028	564.3034	0.5488141	564.3031	0	5984	4550	0	0	0	0	0	0	0	5116	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	45957	0	0	1051	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4491	0	0	1247	0	3791	0	0	0	0	0	0	0	5234	0	0	0	0	0	0	0	0	0	0	0	0	0	1346	0	0	0	0	0	200606	0	0	0	0	0	0	0	0	0	0	490610	111823	0	12541	4585	0	0	2400	0	0	0	0	0	2595	0	0	0	0	0	0	Peptide	0.2962963	1.5185186	0.18518518
12	C27 H41 O8 N5	564.3028	564.3035	0.22944543	564.3029	0	0	0	0	0	2116	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	50878	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1900	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	202761	0	0	0	0	0	0	0	0	0	0	207270	87037	0	12382	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2962963	1.5185186	0.18518518
20	C30 H45 O9 N1	564.3167	564.3175	0.018416237	564.3167	13444	17395	18959	15195	18442	11042	10835	22245	11497	7364	12647	15596	13561	12223	19823	22831	25395	10967	22481	16739	19972	11567	17622	24484	14030	27186	10839	12821	19714	22788	15266	19524	23476	17920	8041	20117	17320	16274	22238	6397	11456	18692	0	0	0	9017	6116	0	18882	21658	14785	17068	19328	0	19928	20682	10042	26173	11505	11264	24330	6497	9705	13275	9041	13892	11608	27031	22308	24828	21426	12033	17511	23077	22392	19527	0	13693	26670	8020	16670	3966	14243	0	22858	15089	20186	11350	10480	18691	18350	17558	22929	4459	6682	0	16939	17840	13494	18404	20255	27079	14349	28517	5001	19194	18174	0	15543	8619	Lipid	0.3	1.5	0.03333333
28	C30 H45 O9 N1	564.3167	564.31744	-0.057182256	564.31665	6488	8239	5182	6575	15121	2738	4583	6536	9040	7059	7320	1802	12046	4351	4444	6437	4673	7717	15376	10320	12419	4201	5687	7109	8137	19827	3593	9228	8773	5832	3997	4667	7950	4997	9913	6174	7819	4923	5794	7577	7589	5182	0	0	0	5835	4201	0	4297	4670	7508	7300	9010	0	13838	13934	4762	4714	4901	2310	7294	5460	10437	9331	3382	9858	5712	3721	17836	25459	26103	4328	3267	5102	2341	3765	0	3507	7685	5078	5723	4489	5432	7687	16625	9317	11579	2980	5192	4932	7007	9274	5369	3365	2201	0	8472	5816	5839	15983	19552	9071	2625	8111	4237	4244	12703	0	4930	10224	Lipid	0.3	1.5	0.03333333
14	C23 H49 O14 N1	564.3226	564.32404	0.108348005	564.32263	2594	0	0	2378	0	0	0	0	0	11708	28926	0	0	0	0	0	0	0	0	3388	0	0	0	0	0	0	6339	0	0	0	0	0	0	0	0	0	0	0	1295	1556	7441	0	2921	0	257	3934	26401	608	0	1420	0	2956	0	466	0	0	0	1809	84988	0	0	16024	0	0	0	0	0	0	34094	0	5130	0	0	0	0	0	481	0	0	0	0	0	0	0	0	0	0	0	0	0	3785	0	0	9371	1581	0	2332	0	0	0	0	0	0	15663	296934	0	0	0	0	0	Unclassified	0.6086956	2.1304348	0.04347826
12	C23 H49 O14 N1	564.3226	564.32367	-0.028496472	564.3226	6742	4080	4751	5439	0	0	0	0	0	49851	37856	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8682	0	0	0	0	11333	15549	0	1155	0	0	17315	33800	0	0	0	4963	2462	0	0	0	0	0	0	128416	7294	0	27349	1875	0	0	1502	0	0	0	0	1189	2270	0	0	0	0	0	0	0	0	0	0	1776	0	0	0	0	0	0	0	0	0	0	23996	5094	0	3330	11641	0	0	0	0	0	30527	545520	0	0	0	0	1150	Unclassified	0.6086956	2.1304348	0.04347826
24	C31 H49 O8 N1	564.3531	564.35376	-0.048842613	564.3531	14693	13400	11207	10277	17673	9330	12861	14146	15198	6155	9040	7344	13217	10267	11440	19897	9198	12936	24772	6595	9545	4682	10374	6852	13997	6300	8004	10506	15066	18498	12075	14831	18141	9053	9263	19550	17547	9983	14887	9732	4475	13025	0	0	0	6569	1816	0	15534	11493	11317	8574	15488	0	29295	15072	8940	14619	10183	4311	17939	5640	11575	12383	6888	9032	12791	14455	7130	8121	7493	7636	10336	15034	10246	12639	0	8066	11337	3971	8496	3886	9492	5932	23767	13683	18819	7188	11798	10857	16509	14757	14284	4207	6141	0	11141	11913	10344	15183	22943	19572	5654	18586	5338	15128	21019	0	9649	12811	Lipid	0.2580645	1.5806452	0.032258064
26	C31 H49 O8 N1	564.3531	564.3538	-0.03965653	564.3531	17228	15307	19458	18146	37610	15400	20376	19148	30330	9823	13247	9734	20322	15182	21967	20047	10252	21825	45845	26995	16077	11037	18367	16224	30450	20105	14819	20265	28314	21487	18878	21731	29832	15093	13546	26820	28950	17412	10085	18943	8688	21203	0	0	0	10732	0	0	23469	18008	20224	18693	25311	0	42785	29929	13193	22478	22968	4993	22758	9759	21593	25040	12150	19580	22792	10746	11746	23983	12032	11594	13992	25106	12465	18162	0	13846	19752	10669	14944	6852	21014	20030	41746	26890	25346	8860	16843	9398	24732	24469	23602	8150	11505	0	17116	23537	21339	31051	37977	33810	9082	28147	12631	18291	44706	0	15749	22872	Lipid	0.2580645	1.5806452	0.032258064
14	C26 H54 O8 N1 S1 Na1	564.35406	564.3542	0.2942702	564.35425	61962098	56438916	57081028	53380700	1689304	1440988	70492332	27838725	1912516	26590542	55103088	19397651	2581508	3033884	11104556	13329043	67902592	1749640	855760	45903942	3879192	159470714	15202178	92837661	913468	961600	13941826	280427789	4604168	3513792	2584144	7843699	3207936	2941428	4334672	3648412	1831002	24177744	24287633	13809521	125063016	2620278	4131120	140536	198832	24863200	146128292	308560	6377144	41052268	56182558	54217784	906448	928516	1420060	619012	1351280	57483616	92670230	205322008	726730760	43309996	9222460	3290728	504248	3172040	2307504	11162824	516054728	21502136	19879016	7720028	1648532	3180350	3320652	3389208	278096	8151615	2861508	576942764	454428	1897532	1918648	605604	289452	689728	334660	1642641	1423396	140601422	17459038	37747452	9139950	96243188	13553920	341820	56424794	69977008	15758184	256088	944668	72251216	8169952	72585048	99345292	1912544	721748	265268	311280	4519216	Organosulfur	0.30769232	2.0769231	0.038461536
22	C32 H50 O2 N3 S1 Na1	564.35944	564.36035	-0.7247754	564.359	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1243	0	0	0	0	0	0	1355	0	0	0	0	0	0	0	0	1661	0	0	0	0	0	2124	20384	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2414	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.0625	1.5625	0.09375
18	C24 H20 O16	565.0824	565.0835	0.28767258	565.0826	4524	4597	2952	6919	14807	6951	1054	0	19567	4388	2538	0	35334	1812	2453	0	0	8201	11638	0	3657	12686	4226	0	0	0	0	0	0	0	0	0	0	0	5110	0	0	1614	0	0	2622	3443	392	0	0	3961	13285	0	0	0	3655	4576	4626	0	14430	22622	4140	0	0	0	0	1847	32588	11150	3231	13947	5051	0	0	0	2070	0	0	0	0	0	0	0	6300	9886	4708	9458	0	0	23553	6117	3586	3175	1850	0	0	0	0	14607	10402	0	5595	3560	15291	22834	20974	3077	0	0	8242	0	17379	0	0	29373	Phytochemical	0.6666667	0.8333333	0.0
14	C24 H20 O16	565.0824	565.0835	0.13968073	565.0825	4968	2092	0	2440	7782	2436	0	0	8386	1801	1498	1076	20142	0	0	0	0	9175	7251	0	2761	10158	1073	0	0	0	0	0	0	0	0	0	0	0	2310	0	0	0	0	0	0	988	0	0	0	0	6593	0	0	0	2230	4673	3800	0	4424	12316	2861	0	0	0	0	0	19403	7366	1939	11274	1599	0	0	0	0	0	0	0	0	0	0	0	1712	0	1557	4285	0	0	14067	4869	2850	0	0	0	0	0	0	14499	3730	0	2478	0	12152	24083	21679	0	0	0	0	0	6990	0	0	14908	Phytochemical	0.6666667	0.8333333	0.0
20	C24 H20 O16	565.0824	565.08344	0.1536989	565.0825	5086	5798	8106	5318	23276	15758	0	0	35918	7306	0	3054	71462	8756	4496	0	0	24580	18724	0	0	22144	2752	0	0	0	0	0	0	0	0	0	0	0	5637	0	0	0	0	3130	9482	3598	2074	0	0	8512	18024	0	0	0	11608	5000	8598	0	28486	32000	9404	0	0	0	0	8956	62868	37586	4166	22360	5226	0	4710	0	3550	0	0	0	0	0	0	0	8152	15434	6944	13982	0	0	35506	11746	0	0	8872	0	0	0	0	33976	16410	0	5578	7210	20112	46560	41348	0	0	0	21074	0	26004	0	0	65115	Phytochemical	0.6666667	0.8333333	0.0
22	C24 H20 O16	565.0824	565.0833	0.13633242	565.08246	0	3940	7358	5466	12574	12360	0	0	18096	12472	0	0	47062	0	3332	0	0	14644	15322	0	5782	18546	3122	0	0	0	0	0	0	0	0	0	0	0	11932	0	0	0	0	2996	3764	0	0	0	0	8160	12998	0	0	0	4364	4328	12772	0	25540	21564	7772	0	3292	0	0	2508	35692	21630	5040	20282	4068	0	3474	0	6136	0	0	0	0	0	0	0	6848	12399	5194	11468	0	5264	31088	8830	0	2950	2844	4094	0	0	0	19450	0	0	6872	0	15774	29132	24764	0	0	0	13460	0	16186	0	2682	34402	Phytochemical	0.6666667	0.8333333	0.0
16	C24 H20 O16	565.0824	565.08356	0.35406983	565.08264	3690	2858	0	3583	18232	5080	0	0	14458	2568	0	0	26439	2187	0	0	0	9047	8090	0	4300	12939	1182	0	0	0	0	0	0	0	0	0	0	0	3739	0	0	2013	0	0	2869	2730	0	0	0	1770	7940	0	0	0	3694	4869	7041	0	10770	17620	4264	0	0	1610	0	2806	37630	13188	2928	21230	2009	0	0	0	0	0	0	0	0	0	0	0	3539	4887	2804	8847	0	0	22176	3771	3404	2324	2967	0	0	0	0	17247	3758	0	4653	3489	15723	26663	17631	0	0	0	4551	0	12245	0	0	23830	Phytochemical	0.6666667	0.8333333	0.0
16	C25 H24 O15	565.1188	565.1197	0.15402135	565.1189	27446	21692	22877	23755	44494	21425	5665	3347	45265	31547	16603	7026	80521	13222	13743	5720	3268	45572	38923	21923	29474	60568	16089	7626	3646	2181	4883	3422	2150	2357	4443	6721	9882	3076	59898	2147	7250	7790	4338	18871	19768	10377	0	0	0	48660	67293	0	2276	3251	24047	31992	19278	0	43851	46417	16077	8214	11408	5596	0	16052	87882	49048	15378	51741	14874	3689	6168	6187	8107	4855	3924	2917	3539	3910	0	6877	20984	40563	17570	47210	4787	5296	43062	16790	16476	7415	13295	0	4541	9306	0	67589	54999	0	19890	23156	40200	43372	46395	8460	5524	5622	52341	0	29053	0	4916	70824	Phytochemical	0.6	0.96	0.0
14	C25 H24 O15	565.1188	565.11975	0.11284967	565.11884	58164	82863	57379	60278	88569	60543	13788	10008	130197	111525	76063	20821	202353	30377	34425	13887	12797	113257	109410	42735	70076	240258	38197	22596	10221	6858	11817	0	10419	10533	12819	0	24553	18186	155268	7908	20693	18633	18919	34164	62624	28556	0	0	0	130309	226025	0	15054	2227	63677	56136	54260	0	114919	107877	51156	28196	20385	0	0	62671	209339	110188	43403	139334	44536	14477	0	12379	16348	15031	15127	0	16065	13707	0	29109	87206	119465	48669	126530	4466	18710	123491	48429	50796	26151	25859	22286	11562	20499	16265	218737	122302	0	68007	49565	101445	123625	128545	29856	14643	12786	181251	18383	84777	0	10553	155051	Phytochemical	0.6	0.96	0.0
20	C25 H24 O15	565.1188	565.1196	0.22989355	565.1189	141232	192860	196464	205002	335288	167765	0	0	467040	267514	130013	37687	800852	123323	92326	0	0	377373	453660	192166	237107	632954	109941	51974	37596	13461	0	61858	25753	0	22542	28145	62647	26923	867938	26754	34593	66196	0	176785	142525	49452	6084	0	0	652283	624970	0	40989	23543	198874	168508	176029	0	477425	325975	108824	57551	67977	41891	28223	157061	766760	361569	141908	354781	109200	26572	52005	72748	71110	45643	25948	21424	0	40183	0	39637	134667	289994	105937	548793	20709	102349	407485	251537	110461	66647	89778	48039	69121	145508	80243	592135	469629	0	194714	197418	340758	345007	262298	39871	30979	48638	543530	69498	259558	0	50011	733852	Phytochemical	0.6	0.96	0.0
12	C25 H24 O15	565.1188	565.1199	0.25034398	565.11896	7192	10915	6758	11333	16907	7739	0	2733	17612	10801	12406	3269	30572	4026	4674	3132	1784	18774	20205	8120	10796	39329	8469	3639	1748	1815	2328	0	1339	1425	3318	3725	3844	1656	27222	2068	3219	3719	1717	3610	9958	3638	0	0	0	16822	41442	0	1681	3718	9256	13035	8888	0	16277	19890	8180	4949	0	0	0	4772	41805	17747	5992	24843	5371	4977	0	1443	4867	2022	1642	0	2109	2009	0	1738	10654	0	9132	16458	2438	2524	23516	9635	7364	5046	4793	0	3660	2673	2722	27024	24093	0	13193	8739	21693	27304	24922	2821	2750	3192	0	2782	20177	0	2689	26502	Phytochemical	0.6	0.96	0.0
16	C24 H24 O14 N2	565.13	565.1309	0.16548586	565.1301	3878	5346	7314	3482	7643	5147	1004	1840	11385	5624	2501	2143	18709	1940	3366	2103	3217	6351	11015	6091	8091	20288	2495	3766	1890	0	1679	0	0	0	0	0	2258	0	6791	0	1930	1733	4110	7991	8417	2698	756	0	0	18548	36802	0	1661	1573	3711	8313	3782	0	10879	6736	2151	3206	2027	3079	0	10286	16141	11985	1326	4134	4499	2621	0	2454	0	2256	3348	0	0	2813	0	1741	3847	6042	2410	20403	1730	2010	7890	3270	3534	2622	3461	0	0	3691	0	21779	15966	0	5714	4338	4536	7914	7224	5129	2951	2956	31035	0	4428	0	1674	10889	Phytochemical	0.5833333	1.0	0.083333336
12	C24 H24 O14 N2	565.13	565.13104	0.16769972	565.1301	7488	5886	11834	8318	10510	10106	0	0	16744	8818	8052	0	23940	2582	4400	0	7490	10540	17386	8076	16432	42624	5412	0	2196	0	2870	0	0	0	3212	0	5996	3102	24076	1968	4398	0	4276	13630	28550	5770	0	0	0	25894	92638	0	0	2774	6226	3548	7699	0	19574	16370	3890	0	0	0	0	10314	44498	15120	4874	18836	6150	0	0	0	0	0	2264	0	3334	0	0	4718	7222	0	8332	22984	0	6846	17495	6770	4116	6792	3678	0	0	6318	4078	34054	19082	0	7216	0	10112	16816	14970	0	3848	0	45866	7580	11264	0	3864	22868	Phytochemical	0.5833333	1.0	0.083333336
14	C24 H24 O14 N2	565.13	565.1311	0.29455388	565.1302	3786	7227	9607	6527	6123	4077	0	1773	8736	4218	4366	1678	23979	1538	3585	0	5159	9370	8850	3483	9491	31434	4054	3774	0	0	0	0	0	1206	1812	0	3490	1707	13392	1971	2480	1533	1834	5556	14030	3473	0	0	0	22900	42062	0	0	2227	4697	3963	4325	0	11218	10563	3972	3296	0	0	0	7447	18257	13117	5669	12455	3745	1925	0	2203	2005	1591	1696	0	0	1038	0	1647	2831	18086	2331	21515	1133	2027	7568	2769	3540	4308	3566	7871	0	3255	6353	24712	13936	0	7692	6533	5226	7177	11896	2463	0	0	30249	3275	7338	0	1943	17774	Phytochemical	0.5833333	1.0	0.083333336
14	C26 H28 O14	565.1552	565.1561	0.18230979	565.1553	44383	53700	48930	44947	92849	41481	27318	24452	50291	100146	55629	19554	65308	17525	21178	22396	17500	44233	46821	61834	61549	97546	27963	29073	16180	20157	16949	23254	19425	20735	23840	29836	26144	18233	133963	21082	30636	23875	21256	45504	51703	20301	0	0	0	98902	133044	0	23303	19528	39600	41792	39419	0	56358	28456	20497	29500	31713	24377	22824	40454	66393	41736	21931	164166	49747	17031	31758	30216	39895	25211	22307	23113	13883	22331	0	18032	34464	58044	29807	78533	15043	29119	38069	28189	26331	15447	20491	20549	19893	27917	26904	77843	71983	0	56151	45482	41685	32083	35642	27563	15256	28852	99333	24218	34911	0	18763	55716	Phytochemical	0.53846157	1.0769231	0.0
12	C26 H28 O14	565.1552	565.1561	0.20574687	565.1553	22679	24983	25747	19256	24264	9721	8959	13081	17706	53042	30464	9152	20976	6403	11890	12188	13958	21925	19889	25374	28544	32851	12156	17882	5742	5787	9868	12877	8681	7924	9463	11166	13243	7552	47495	7787	13086	10263	12556	23430	31195	6826	400	0	0	41030	71496	0	10292	11580	20053	16903	13033	0	19524	16335	9360	15816	8501	17685	0	19030	29610	17858	8478	41634	13946	14179	0	15409	13271	14340	9220	7342	10252	9635	0	6916	16293	0	15595	36188	6039	9623	17830	10446	14145	8319	8244	10964	4363	10518	8479	29781	33205	0	20613	16915	24192	20044	18529	12378	7356	11209	36154	9195	15519	0	8546	26360	Phytochemical	0.53846157	1.0769231	0.0
20	C26 H28 O14	565.1552	565.156	0.1333894	565.1553	35463	38864	28536	33371	45740	34571	9067	13045	41894	83418	62900	9477	92594	22729	19410	13739	6959	51459	60774	60391	64772	74761	19925	20510	15653	22142	8793	17994	17169	12545	14859	15314	18985	13435	112489	13488	20855	18072	7144	54730	22419	13294	727	0	0	125917	99567	0	15071	11127	32647	37493	26832	0	58863	29236	20063	15773	21409	5522	16337	35877	65961	44236	16197	44488	19781	7569	18123	51273	25153	18386	15936	14460	7878	14077	0	15615	25870	31311	19757	88343	9506	27367	45269	20229	16569	13284	15690	9502	17318	32313	18808	49422	49648	0	40660	34512	36139	34826	27427	12703	11113	14155	92697	11762	31785	0	13371	67483	Phytochemical	0.53846157	1.0769231	0.0
24	C27 H32 O13	565.1916	565.1924	0.20863867	565.1917	15430	18849	15489	16217	11780	11926	3456	12050	22760	52214	15040	6439	31839	7765	11728	9667	3211	23844	22039	34498	29367	25644	11448	12825	9772	10629	3528	12989	8888	8025	8388	9553	14547	7295	49018	8877	13712	8495	4169	27060	12687	6601	0	0	0	44595	26099	0	10577	7329	15877	16167	11507	0	27507	14590	8021	8405	9445	5971	9182	15192	29759	16876	5674	25201	7743	3389	14964	37324	15397	10881	7849	10114	4128	7079	0	9647	19284	12565	14888	24683	7155	14187	18207	10235	13261	4886	6932	3028	13576	16664	13586	14699	21105	0	16571	13584	13294	17979	11878	6878	6115	12784	26352	8289	14285	0	7108	33774	Phytochemical	0.4814815	1.1851852	0.0
16	C27 H32 O13	565.1916	565.19244	0.07633813	565.1916	99263	98595	92637	95821	69101	52811	54288	88006	91643	450762	97864	50963	86753	31476	63900	71411	43465	79835	106728	199045	150057	126880	70383	84623	61566	75979	40472	77809	65811	61413	78825	78503	76282	59691	569002	73026	85616	55023	53464	252286	104370	38726	1674	0	0	337274	135189	0	80902	70546	93252	106733	56966	0	99925	48510	38696	74976	75859	46411	78098	91740	99609	72616	32839	81370	53483	51705	76594	116330	102536	77362	67720	77399	50939	72185	0	55343	86037	75537	73165	129207	68724	94122	78167	40837	68376	40586	50786	60344	58849	81277	113398	88682	130117	0	109936	91883	72457	60252	52415	71903	51452	77831	123237	55199	53401	0	61254	103070	Phytochemical	0.4814815	1.1851852	0.0
20	C27 H32 O13	565.1916	565.1924	0.04307495	565.1916	87875	93261	91203	81820	88163	72601	32779	77076	106429	236845	78508	37134	133875	49435	68043	56727	27351	109122	108183	187949	148479	140729	72840	60843	74214	68491	36288	66297	77793	56997	67866	54092	72221	50530	276558	63669	82856	57827	30389	145616	75291	42284	2137	0	0	208868	257308	0	68835	50670	97673	80397	68407	0	128429	64769	46613	71340	88872	28663	57349	88547	131832	88323	37281	87674	51038	34498	61443	143156	86394	72541	64343	66448	33765	62595	0	57784	79078	56554	56167	125587	51039	98935	81467	54074	59777	38420	49425	33384	71693	88606	66238	82099	109503	0	86582	96654	79514	68028	54393	55918	41132	73978	142180	60030	72307	0	44637	153914	Phytochemical	0.4814815	1.1851852	0.0
14	C26 H32 O12 N2	565.2028	565.2037	0.023064528	565.2028	33130	30901	21910	37288	12957	14140	28085	38716	22942	59040	23592	14768	30291	9378	33944	30863	13218	23885	25845	56056	39032	59512	25386	32137	29649	7444	23042	11685	32628	28856	30384	46448	39387	27657	79391	37719	34758	24267	21564	50538	21060	18124	0	0	0	50516	31781	0	32236	29250	24848	25588	16895	0	32458	12019	11496	43107	53241	13187	34469	37390	33696	25853	9525	24550	19936	20875	0	23810	8147	30375	31104	25532	19456	28713	0	21141	23265	24022	19651	26612	26892	22157	17775	16418	26806	16623	20823	20583	40592	48641	55442	33182	43670	0	34540	34715	11878	16209	11959	32270	17549	47791	32912	28699	12646	0	24221	30582	Phytochemical	0.46153846	1.2307693	0.07692308
10	C26 H32 O12 N2	565.2028	565.20374	0.08966964	565.2029	15626	15793	15088	13071	5913	5298	8008	15599	8035	29338	7105	8286	12826	1743	11062	15667	10268	9863	13455	22089	20154	24552	9211	19365	8228	2814	7545	5737	13922	11546	11045	14361	16119	12997	31964	13147	16531	11461	14329	22575	20897	5909	0	0	0	14984	16957	0	20810	14184	14607	14798	8247	0	12682	5676	6361	19175	11305	10346	16561	13933	14430	10060	4780	10790	10286	14109	0	6496	6268	11715	12278	10870	6660	12545	0	8172	10072	12155	8995	11564	10206	10943	5744	5984	13249	5659	7963	17173	8650	20210	28546	11996	20480	0	14849	15253	5360	5967	6963	15608	6391	18147	0	10120	6381	0	8435	14361	Phytochemical	0.46153846	1.2307693	0.07692308
12	C26 H32 O12 N2	565.2028	565.20374	0.10895174	565.2029	18248	22024	18915	26204	9783	10923	16903	33233	16139	34093	16077	11747	15736	4908	19508	19332	19013	16612	20191	39050	33782	53089	18089	23034	20732	5344	13734	9406	28508	19345	23639	19911	30185	17472	58127	19066	26306	21087	22522	35786	28988	10540	0	0	0	42738	26849	0	21471	17886	19684	23457	10714	0	17600	7781	7497	17834	31492	13667	0	25488	18841	16363	8262	18667	11457	21253	0	10316	12911	20587	17891	18590	14329	16999	0	17338	21809	15654	17475	21526	20651	19826	9326	7757	20523	10822	10301	21166	20512	28246	35372	22698	23544	0	22982	26327	11012	9059	13539	19291	15102	32451	0	24785	8242	0	16740	18577	Phytochemical	0.46153846	1.2307693	0.07692308
28	C31 H32 O10	565.20685	565.2075	-0.010561519	565.20685	5045	4700	3457	3579	6750	2440	1397	0	6919	9492	7707	0	8797	3355	0	0	0	4087	7777	4358	5226	4779	2576	2173	0	17953	0	5244	0	0	0	0	1615	0	11503	0	2469	0	0	3267	6989	0	0	0	0	4139	2835	0	1430	0	3341	3366	3986	0	6745	5855	2512	0	0	0	2475	3864	7156	4140	2519	8756	3095	1654	20062	20565	32065	0	0	0	0	0	0	0	5714	4216	2940	1932	1526	5121	7315	3050	3555	2622	2042	2623	0	0	0	4820	0	0	5075	3218	5168	8549	9209	0	0	0	0	0	6733	0	0	5493	Phytochemical	0.32258064	1.032258	0.0
26	C31 H32 O10	565.20685	565.2075	-0.06327969	565.2068	10896	10876	11035	8846	12685	5888	2787	0	19638	25292	27221	0	22581	6301	0	0	0	10902	11602	25120	24206	11848	0	6275	0	49512	2866	21016	0	0	4654	0	4430	0	37858	0	6005	0	0	17320	21957	0	0	0	0	8290	12156	0	0	0	10892	9734	6600	0	12485	16287	5669	3629	0	0	8174	13048	18718	12387	5284	13672	5024	0	48933	52062	70916	3817	3569	0	0	0	0	0	13384	8575	10667	6331	0	15492	25839	10877	9388	3515	5704	0	5144	5081	8135	13112	12411	0	12693	7061	15241	22710	22881	0	0	0	8615	0	13568	0	3656	11935	Phytochemical	0.32258064	1.032258	0.0
24	C31 H32 O10	565.20685	565.2075	-0.051081363	565.2068	20625	17586	18391	17758	24934	11608	6483	8731	28142	52465	52367	6758	36199	20504	6352	10024	7678	20346	26905	48257	49205	22484	11614	10842	6110	97546	3385	45080	6800	6485	5222	6063	7240	4947	80209	5204	13005	7636	4114	42890	37439	11493	0	0	0	18766	24695	0	8278	5315	19638	16679	18843	0	23965	30395	12353	8965	7256	4804	8215	23504	39347	20565	12777	26157	12288	7745	88064	106590	115895	5678	5938	3649	3586	6231	0	5810	21943	14401	13774	18471	5659	38918	35358	12742	19376	11616	10542	9929	8401	11916	14376	24969	24462	0	24532	20507	26048	33783	30912	5627	5672	8908	15007	7352	28366	0	10217	24703	Phytochemical	0.32258064	1.032258	0.0
24	C28 H36 O10 S1	565.2102	565.211	0.22451952	565.2103	12374	8278	21094	15546	18480	7907	3537	5971	7001	24829	9111	3038	25430	0	11120	7060	3498	14003	20658	22592	47538	13799	5409	5878	14326	12568	2338	0	9178	5610	4123	7188	10026	4615	52796	2249	13556	4930	7256	32574	21256	5544	0	0	0	14076	11559	0	6013	3923	18180	6861	8694	0	8734	6651	3002	5785	18666	9770	10518	26116	8293	0	3111	9102	4367	3174	10010	21053	12574	3978	2318	0	4406	2661	0	3283	5749	11428	5315	10767	12892	24714	5893	0	5831	0	7980	6600	35152	35162	23172	20530	42244	0	14162	8251	12862	6866	0	8014	6496	19496	20648	13876	13038	0	8246	15836	Organosulfur	0.35714287	1.2857143	0.0
22	C28 H36 O12	565.22797	565.22876	0.04918028	565.22797	107396	107066	103459	94557	87026	79415	46918	106437	117249	272257	95132	48575	124163	47880	86596	79831	37611	163523	126918	218633	172710	128893	89688	90920	96509	87638	35105	79898	97416	76171	99497	99243	110944	80825	326701	82652	120079	77118	42176	141411	55870	50433	0	0	0	158082	79457	0	87164	76796	104553	103629	76466	234	166893	81820	53213	87763	103871	33774	79162	92859	150410	118062	43353	110330	68477	42865	67366	205806	111802	101450	77294	86016	40494	86899	0	81276	89014	46068	84574	87058	60248	67080	91300	68582	81028	46394	64319	43865	99314	132870	137729	62295	122171	0	101119	102011	75516	73250	67531	98146	60179	99948	99897	97319	73826	0	58321	155780	Phytochemical	0.42857143	1.2857143	0.0
24	C28 H36 O12	565.22797	565.2287	0.07544346	565.22797	40418	37034	35448	39166	34984	34430	13642	34091	48036	102963	28672	17666	67355	18844	33103	31416	12576	53796	61495	89799	68526	43511	34510	35055	29005	32021	11300	21797	26751	26162	30446	25908	34270	22905	121664	28033	44485	22334	17344	56776	26511	18470	0	0	0	61581	29523	0	31254	28161	34680	33604	25263	0	68402	31957	16917	25980	31040	11561	32469	34252	61424	42732	14499	45225	22734	16136	28406	85428	44604	31725	29346	29481	15260	23475	0	29559	35864	19993	33133	31996	22122	27362	39753	24769	29761	15035	24072	15484	33501	41356	48086	24170	40426	0	45750	33704	31282	30015	27462	29442	15251	35294	35764	25333	27226	0	18463	61335	Phytochemical	0.42857143	1.2857143	0.0
26	C28 H36 O12	565.22797	565.22876	0.08695446	565.228	10085	9669	9678	11128	8651	10963	4311	9850	15280	38117	11633	4400	26470	5133	8881	8263	0	17682	12865	28306	32023	16762	12421	12841	9780	12709	2990	8587	11887	7991	9027	7848	10512	10132	38569	10468	12584	6971	5241	18575	9946	0	0	0	0	21831	14504	0	10559	0	12741	11218	11970	0	17186	9111	6613	11629	7618	4250	11036	11849	17594	12258	5157	15410	6498	5066	11645	34234	17855	10904	7243	0	0	5045	0	5932	10440	5235	10081	9818	8575	9523	16085	9784	9012	5738	7379	7879	11744	14746	18155	9441	12735	0	12297	10447	8732	9756	10419	7205	4226	11343	8554	7051	8874	0	7601	24329	Phytochemical	0.42857143	1.2857143	0.0
16	C28 H36 O12	565.22797	565.2288	0.07105612	565.22797	87055	71124	75611	75370	45111	36652	55850	87603	57221	133231	76661	52315	66646	25583	61179	85731	60982	54556	68495	126850	113336	76285	68938	83744	51831	75993	50698	57005	75510	74338	74704	84302	76934	57057	157555	74864	67254	53724	70882	84622	72159	37482	981	0	0	69418	65696	0	90892	70139	73449	83812	39545	0	82515	43888	32455	83271	62351	54378	90990	48607	68819	55215	28803	58927	36921	61567	62510	93423	93746	62704	70430	81687	63188	72655	0	54995	85401	49961	62534	55152	62178	62272	53582	33123	77123	33732	40247	79672	61185	85514	103085	53307	63870	0	70745	73719	44450	56263	52304	72704	48182	84756	49157	73117	45058	0	52607	63381	Phytochemical	0.42857143	1.2857143	0.0
14	C28 H36 O12	565.22797	565.2289	0.1622432	565.228	31345	34436	25015	36452	12973	10896	24317	36955	16465	45294	28557	25732	22746	8798	27051	33125	27993	16039	19391	34095	32703	28625	21309	37060	24052	24699	21574	15850	26538	33273	26634	49742	31073	21590	40014	37589	33207	24670	40287	29373	41321	14952	0	0	0	28302	33460	0	36450	38400	31073	32436	13016	0	22969	13124	10398	38609	44107	40584	38271	19555	21014	23463	16872	17410	15787	37195	19536	31798	34455	24211	29232	32559	25979	27196	0	20371	38624	16685	28230	20953	31217	20192	21662	14297	28963	16448	18290	39910	24116	23807	37004	19131	24483	0	39027	34793	17454	18825	20922	34555	16775	36414	0	23434	19331	0	30099	14350	Phytochemical	0.42857143	1.2857143	0.0
12	C27 H36 O11 N2	565.2392	565.24023	0.2848622	565.2393	9006	7883	5180	8759	3332	4214	8883	13079	3867	14790	3732	4793	5762	1674	8984	8903	6323	5047	7712	9491	9247	14664	5823	14571	9923	1659	3215	0	11862	7579	10336	12093	14745	9226	22048	13376	12767	8652	6802	13202	7257	3408	0	0	0	12659	3593	0	10851	7689	5597	5466	4265	0	7131	2288	3129	15236	9067	0	0	5904	7375	5539	2275	3547	4669	8715	0	2022	3298	10147	8561	11844	6433	8121	0	7645	6810	0	6199	5237	7187	6390	2243	2411	12532	3407	4263	14782	10213	14131	18362	12595	6576	0	8695	10106	2228	1500	2073	7743	7409	11907	0	10878	2817	0	8032	5541	Lipid	0.4074074	1.3333334	0.074074075
16	C27 H36 O11 N2	565.2392	565.24005	0.21089093	565.2393	19135	17409	18174	15937	7164	5922	13733	21303	7321	29932	6372	13536	6446	3779	25165	23756	9383	11022	16282	20966	18716	28957	19714	21153	30179	2461	13064	9598	27252	11731	25025	25862	25547	17690	30399	24914	23489	12654	14713	19862	9602	10908	0	0	0	16196	6903	0	21889	18052	15863	23040	7962	0	12636	6460	6213	23551	22560	6720	17677	12319	9926	6874	5667	9132	11460	16434	4254	15731	6979	21891	20678	15268	19453	17889	0	13628	19632	8149	15504	12792	18844	11447	4326	8363	11400	7764	13060	0	28527	27654	49205	10938	15283	0	18475	19945	3957	7053	3806	18420	11011	25990	13033	21529	7026	0	18729	10422	Lipid	0.4074074	1.3333334	0.074074075
18	C32 H36 O9	565.2432	565.24396	-0.13857134	565.2431	5460	11845	7035	0	4473	0	4900	8507	3881	5317	6042	3701	2159	4182	5756	10235	6380	1722	6026	8188	9120	5373	4782	2920	5936	16196	7786	10478	6948	4229	4921	0	8725	0	12947	0	5666	4647	11805	9455	9124	3505	0	0	0	0	6086	0	6772	5395	8243	8100	3164	0	6945	3622	2960	5066	1844	5810	0	5131	7235	4099	2911	4678	0	8880	8913	12122	23887	0	2632	4751	8438	10046	0	4708	9748	4549	4728	5324	5821	10383	4650	3986	9788	0	4813	10530	3608	3984	7752	0	5887	0	6828	4473	3534	6865	5549	4683	3743	7420	2826	5159	4641	0	6340	0	Phytochemical	0.28125	1.125	0.0
28	C32 H36 O9	565.2432	565.2437	-0.12089172	565.24316	5833	3966	3698	4114	7134	2504	1703	0	5501	7381	7574	0	8820	3456	0	4010	3021	0	7464	10066	9957	3531	0	0	0	25639	2118	8731	0	0	2328	1604	2055	3006	11221	0	2277	0	3494	5719	10713	0	0	0	0	3508	4310	0	1821	0	4361	4598	3551	0	5476	8125	2597	2810	2335	0	0	4084	7917	4821	1997	7741	3204	2938	26761	20263	36216	2139	0	0	0	0	0	0	5974	3353	4045	2803	2679	6850	10185	4000	7986	2252	1906	4241	2994	4520	4039	5602	0	0	4816	0	6131	11607	13789	0	2212	0	0	3203	6719	0	2112	3933	Phytochemical	0.28125	1.125	0.0
24	C29 H40 O9 S1	565.2466	565.2475	0.5733127	565.2469	27678	11814	10460	22076	23642	20890	6362	10650	9902	41834	11667	3061	16271	4938	8597	10777	7478	13218	24998	23064	29332	35020	5545	16468	8813	13844	5101	11808	7431	8070	5500	10118	11260	14052	31579	8307	21340	5752	5400	32832	12278	5523	0	0	0	16829	12074	0	9652	7389	12967	30454	12087	0	19688	7305	8604	26016	21852	7823	11518	14010	15291	17062	4207	11172	14710	5948	0	25196	14399	8235	6000	5358	12210	6275	0	5825	9323	9055	8258	25402	19018	20002	12356	0	11296	7581	7761	22044	51318	25976	17458	18326	16042	0	11362	9462	6997	0	7655	10664	4383	13721	13661	7731	7268	0	15476	16531	Organosulfur	0.31034482	1.3793104	0.0
8	C26 H36 O10 N4	565.2504	565.2519	0.4267961	565.2507	1933	2012	2890	2101	0	1057	1708	2276	0	0	0	837	0	0	2201	2816	1254	0	1191	1164	0	2655	1409	1697	1975	0	1560	0	1993	1691	2631	2202	2526	2093	1960	1453	2151	1554	2228	0	864	691	0	0	0	2249	0	0	0	1284	1992	1827	797	0	1628	0	0	2913	1775	766	5309	0	1319	0	0	1409	1603	1072	0	0	0	0	1152	2303	0	1998	0	1642	1627	0	2410	861	1508	0	0	0	1846	1210	0	3816	46918	25136	5147	0	0	0	2969	2231	0	565	0	0	1652	0	0	2164	0	0	2173	936	Peptide	0.3846154	1.3846154	0.15384616
28	C28 H40 O8 N2 S1	565.2578	565.2584	-0.028602311	565.2578	9967	8187	7493	8618	0	0	6101	70177	0	0	0	4824	0	0	0	26963	41608	0	0	0	0	0	0	5448	0	0	6584	0	27478	48543	54363	18773	14072	21484	1338	20957	9617	2074	44372	999	0	2497	0	0	0	0	0	0	86879	55323	7121	7191	0	0	0	0	0	22007	0	1242	20545	0	0	0	0	1203	2266	44652	0	1301	2021	79473	18429	17331	25427	17331	0	4051	2303	0	1784	0	0	0	0	0	0	4885	3191	0	0	0	5416	0	0	0	8851	7975	0	0	0	9555	4957	3701	0	23549	0	0	2352	0	Organosulfur	0.2857143	1.4285715	0.071428575
26	C29 H40 O11	565.26434	565.26514	0.060537603	565.26434	24499	19856	20447	21415	18882	15074	7416	24150	27282	50753	14525	8481	33016	11533	20349	16605	6916	38399	36139	50941	48970	19900	18877	22127	23164	19347	6023	16043	17764	21141	21955	22204	24595	19971	63972	16826	33444	17296	10295	26869	12794	9061	0	0	0	23735	11077	0	19003	14454	21997	21540	18754	0	40544	22930	10221	21014	22772	7764	21192	13553	43947	20987	7078	27914	13550	8752	21820	56290	32199	20946	17183	20345	9269	11888	0	17697	23369	8205	15613	11568	16319	17520	21038	19079	16441	10769	11776	9537	31338	28921	31162	8373	20348	0	23643	23659	15616	19191	18025	17209	8205	22014	10016	20083	12250	0	10159	36032	Lipid	0.37931034	1.3793104	0.0
18	C29 H40 O11	565.26434	565.26514	-0.006426959	565.26434	64246	62691	66103	67983	33865	40982	55875	74773	47040	89270	52304	45641	54951	23984	66881	78293	72102	47494	66293	100738	73010	48882	60712	79949	50105	65446	61201	55807	93723	71332	61588	90986	81212	63691	89487	83238	68019	63428	75296	56689	54264	35007	1154	0	0	44916	34947	0	73163	68467	62104	60590	37258	0	76217	49274	32852	71903	50474	41203	73044	36114	63146	54248	34385	56658	35492	72993	41782	68650	61964	50783	55199	67464	70064	76111	0	51154	82726	41608	64448	34813	55724	47934	59913	44319	80121	28637	42714	77618	65521	71182	91522	34477	49387	0	66294	70334	37804	57753	48400	79131	48354	85895	24657	59008	45880	0	67006	59730	Lipid	0.37931034	1.3793104	0.0
28	C33 H40 O8	565.2796	565.2803	-0.076321915	565.27954	5387	5450	6606	5274	5203	2754	4241	5904	7603	6286	9996	3427	9158	6371	4479	6694	3228	4210	5911	8853	9881	5279	4745	7673	6211	29556	5772	15591	4377	6425	5117	5204	6596	4487	6554	6242	5399	4881	4138	6164	8451	4933	0	0	0	5075	5005	0	4267	7630	8918	6421	4723	0	9015	14392	4403	5393	4277	3163	6558	6003	5783	4953	2515	10283	4660	5505	26851	18855	28189	4225	4416	5587	0	3541	0	3214	11949	5476	5096	3554	3966	10131	11793	2683	9202	3592	2868	5170	4264	4957	5625	5214	2956	0	5622	6571	4442	18445	22892	7659	3359	10298	2596	6825	8212	0	4055	4403	Phytochemical	0.24242423	1.2121212	0.0
20	C33 H40 O8	565.2796	565.28033	-0.103942156	565.27954	8634	8853	6499	8429	3627	2954	9351	11621	8438	8662	6048	7561	2046	4226	11819	13577	15481	2715	7444	13708	9114	6432	5835	8508	11679	15708	8131	11052	10921	10312	8382	9737	10465	6094	8076	8631	6622	7732	15603	9333	8316	4834	0	0	0	6977	6179	0	9418	9339	10752	8714	3907	0	9176	6205	5688	11050	4704	9994	9277	5717	3790	7497	3668	4106	4262	18119	12532	15883	20897	5828	4186	11441	14179	9497	0	6264	10478	4955	12947	4685	12330	0	12493	4839	13146	4872	6932	16404	11212	6079	8198	3046	5790	0	9030	11418	3142	10270	8917	10968	6312	14810	4568	12218	7802	0	11102	4470	Phytochemical	0.24242423	1.2121212	0.0
4	C31 H40 O4 N4 S1	565.2843	565.2857	0.20543079	565.2844	6984	4530	7668	5331	0	0	214064	0	0	0	1189558	9258	0	745	2234	2478	2237	0	0	0	1221	0	1755	471	24913	2544	803087	562194	0	0	0	0	0	0	0	1085	0	5697	0	0	0	0	0	0	0	0	5045	0	0	0	6759	3604	0	0	0	883	10442	0	0	1876	2856	6014	0	0	3398680	0	0	1428	115417	22018	102473	0	0	0	4229	0	0	0	429	8319	1933	0	0	4294	0	0	544	1270	0	3361	0	0	10636	3191	7700	0	8512	19679	4976	0	0	0	961	0	137210	0	0	0	19431	362	Peptide	0.12903225	1.2903225	0.12903225
26	C30 H44 O10	565.3007	565.3015	-0.021129237	565.3007	33282	32050	33936	32246	28136	20229	25642	52185	40408	42515	17301	15960	45684	20266	36478	41051	16848	41411	63735	55346	45614	31379	20346	34630	38418	25045	16910	27640	73820	66746	45885	52528	51896	33372	79601	51533	63561	23781	18592	33270	9222	20238	0	0	0	25082	7144	0	69582	42454	35684	34356	25069	0	66174	36338	14547	48626	36611	11199	42185	24429	55608	33009	16399	30424	29643	16330	17942	49525	19910	39838	40906	39758	30542	39891	0	22230	26784	11168	24465	17211	32165	21389	33261	21044	26715	17376	25759	15035	44188	55007	49985	15421	27298	0	32152	35096	22121	32546	33872	51820	19435	63755	16891	26002	27632	0	20065	44017	Lipid	0.33333334	1.4666667	0.0
20	C30 H44 O10	565.3007	565.3015	-0.002768038	565.3007	33107	29770	29876	31305	21051	13666	30418	32361	31586	23205	13728	21235	27004	14938	29140	39072	28207	20825	40517	29202	24500	14416	24340	37752	25210	17471	31680	18950	37662	46511	32409	40959	41156	29235	24433	46530	40008	22357	38124	10440	12862	17183	0	0	0	16863	17715	0	45835	30308	26718	34758	21685	0	43383	27873	19298	42391	23639	16893	30082	12346	33243	34764	18618	22865	24682	44505	10117	19305	11114	21787	28798	32060	52668	33751	0	28127	46199	14337	26306	10648	32820	19065	36498	25369	44715	13597	20544	31154	29775	34528	40959	10720	16819	0	22570	29904	18043	29561	38257	43547	23214	40723	10880	27045	26162	0	23888	25334	Lipid	0.33333334	1.4666667	0.0
18	C30 H44 O10	565.3007	565.3015	0.071914665	565.3008	14740	9102	9393	9194	4532	3203	9962	10527	5031	5851	4399	9549	5953	6237	8245	15692	17915	4849	13231	7958	3433	4711	6775	11864	7522	6510	11428	4942	14253	11754	12929	18588	9459	8314	8424	11924	12118	10509	17876	2378	3994	5890	331	0	0	4911	2586	0	15725	6666	7425	7812	7750	0	11387	8985	5575	9490	7567	7740	9156	2099	8999	7319	4185	4124	3760	25412	1735	5999	5810	5096	5291	12977	18568	7870	0	8370	14854	2831	10671	3923	9748	3858	15166	8387	15058	3981	3269	12843	13947	7111	0	0	5422	0	9749	8329	8460	10552	18434	13003	9152	10193	1663	8278	9915	0	8838	4569	Lipid	0.33333334	1.4666667	0.0
28	C34 H44 O7	565.316	565.31665	-0.043718327	565.316	8113	6893	5664	7531	3717	0	8100	9455	8219	1745	8067	4529	6274	4444	5754	9579	12485	0	8118	6234	6666	6157	6432	8628	10805	22958	6480	10581	8502	9792	7960	7621	13509	5073	5203	13599	8840	7089	11185	7499	4791	6481	0	0	0	4847	0	0	8048	9731	6904	6699	3901	0	10560	14621	3798	11200	7547	3918	8398	4335	3740	6060	3187	7451	6657	10566	18078	8705	11045	5732	5056	10631	4249	8784	0	4845	12338	6502	7550	4699	8541	8061	12422	5007	16216	4562	3912	9364	6141	7327	6533	5778	2415	0	6712	6442	3438	25585	32392	16977	4219	9666	2983	6584	9085	0	7516	1466	Phytochemical	0.20588236	1.2941177	0.0
22	C34 H44 O7	565.316	565.3167	-0.05678947	565.3159	6999	7649	5957	4131	1792	3008	9397	7274	5899	4352	6400	6147	0	0	6919	13855	22907	0	3625	4639	2016	3435	5632	8017	4958	6530	9251	4188	5313	10111	5584	7049	12038	2904	4285	9215	6789	8667	22449	5917	7942	2337	0	0	0	2313	6164	0	6900	6915	7924	7522	0	0	3562	6166	4860	11044	3253	8521	9723	3580	2001	3532	4265	3574	2995	18743	6007	5291	7523	2322	3913	7092	12820	7982	0	5121	12383	4812	6532	2997	6037	2868	7294	4060	11797	5818	3283	14177	7332	5881	8884	2619	4452	0	3859	4916	4311	8817	8925	13284	7183	10186	0	7812	4253	0	12724	2231	Phytochemical	0.20588236	1.2941177	0.0
24	C31 H48 O9	565.3371	565.3378	-0.028622279	565.3371	14889	13416	14338	14708	11576	8285	31208	18302	15710	8117	6615	5777	14194	10976	16465	15071	15708	14947	25527	15781	7222	8178	11608	11528	16259	7255	25841	11242	21235	13052	13749	20533	23924	13543	9356	18891	24485	9137	18824	6538	2325	9779	0	0	0	6293	1565	0	20356	11555	12629	12999	12673	0	24562	16120	10210	23140	14108	6178	16235	4606	15551	15405	7462	15944	11364	16332	1853	8444	5777	10751	12669	19498	12662	15014	0	11626	12009	6313	10674	5083	22702	11421	16527	13465	14929	4519	13072	14702	20768	22568	19496	4773	6307	0	13384	12795	8207	17912	14901	21553	7168	18012	7217	17352	15966	0	12490	13294	Lipid	0.29032257	1.548387	0.0
24	C35 H48 O6	565.35236	565.353	-0.071169764	565.35236	2512	3561	2349	1740	0	0	6506	4192	0	1538	2139	2340	0	2261	2546	8194	14144	0	1609	0	0	1538	2277	2019	4980	1700	4202	2594	1250	5412	3247	3583	3218	912	0	5472	1487	4591	18785	0	2285	1315	0	0	0	0	0	0	2480	5919	1828	3239	1743	0	3423	3015	2069	4589	0	3073	3727	1128	0	1984	0	0	1995	20566	1301	1644	1987	0	1399	7284	7145	6249	0	2817	4985	1495	5469	0	2970	1382	4467	0	9138	1787	0	15771	2525	1983	2498	1925	0	0	3050	2190	1003	8420	8224	4299	1813	3532	0	4512	1537	0	5153	0	Lipid	0.17142858	1.3714286	0.0
26	C35 H48 O6	565.35236	565.353	-0.08918204	565.3523	5669	4899	8706	4587	0	0	7579	10514	4073	0	3402	5961	0	2437	9643	11452	31208	0	4729	0	0	0	0	6238	9278	5934	8889	4750	10810	15412	9858	11735	7360	5118	1701	17742	8761	7868	21885	2467	6345	0	0	0	0	0	0	0	8345	16885	5285	5268	0	0	4667	15451	3406	6854	4448	8278	10107	3490	0	4319	4557	2109	3661	33966	0	2423	5550	4115	4966	17176	14513	11102	0	5608	16353	0	5539	0	8671	3980	8020	0	19200	4614	3574	19945	5545	8045	6984	4010	0	0	7376	6533	3477	22636	20654	14963	6646	11348	0	7585	6159	0	12535	0	Lipid	0.17142858	1.3714286	0.0
26	C32 H52 O8	565.3735	565.3737	-0.09048719	565.3735	0	0	0	0	0	0	28757	0	0	0	0	0	0	2957	0	0	0	0	0	0	0	0	0	0	0	0	16521	0	0	0	0	0	3613	0	0	0	2157	0	3727	0	0	0	0	0	0	0	0	0	2651	0	0	0	0	0	0	0	0	3666	3101	0	0	0	0	0	2936	2152	2467	4440	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4992	4595	0	0	0	0	0	2328	4345	2520	0	0	0	0	0	0	0	0	0	0	0	0	0	2862	0	0	0	0	Lipid	0.25	1.625	0.0
24	C23 H19 O16 N1	566.07764	566.0786	0.1981005	566.07776	7346	4492	4748	4676	13986	4112	0	0	16110	5548	0	2034	32584	2762	0	0	0	23064	12304	3752	0	9738	3356	0	0	0	0	0	0	0	0	0	0	0	3374	0	0	0	0	0	3744	3070	0	0	0	4476	30620	0	0	0	2714	2792	7798	0	16364	21366	0	2514	0	1798	0	3604	18232	18086	4362	12750	0	0	0	0	0	0	0	0	0	0	0	0	3788	0	3078	8748	0	0	24242	0	0	0	3524	0	0	0	0	16054	10524	0	5738	5024	9724	13264	18476	0	0	0	23688	0	10776	0	0	28060	Phytochemical	0.6956522	0.82608694	0.04347826
28	C23 H19 O16 N1	566.07764	566.07855	0.1133394	566.0777	4616	2501	2976	5399	8992	4949	0	0	9096	1949	1557	1123	23053	1945	0	0	0	11326	7094	2586	5503	6617	0	0	0	0	0	0	0	0	0	0	0	0	3505	0	769	0	0	0	4696	0	0	0	0	4262	18749	0	0	0	3397	4575	5631	0	11471	9051	1662	0	0	0	0	2976	21625	10358	1446	9657	2684	0	0	840	1125	0	0	0	0	0	0	0	1207	5656	2723	4324	0	0	11463	2668	1224	1611	1853	0	0	1193	0	10026	5819	0	3713	3961	5985	9114	10349	0	0	0	13385	0	7966	0	0	20336	Phytochemical	0.6956522	0.82608694	0.04347826
24	C24 H23 O15 N1	566.1141	566.11487	0.11627057	566.11414	4053	4022	3674	4587	9077	6217	0	0	8481	5674	0	1217	19218	2779	0	1354	0	11675	8514	5592	10739	14867	3988	1375	0	0	0	1120	0	0	1090	0	0	0	5786	0	1330	2445	0	7282	7518	0	0	0	0	22680	39611	0	0	0	4085	4417	4939	0	13114	10844	3252	0	1756	0	0	8776	17507	8631	3249	9207	2808	0	1790	0	2890	839	0	0	0	0	0	1499	2000	11426	3865	22879	0	2394	14937	5730	2995	0	2774	0	1704	3819	1429	18407	16505	0	6753	5578	7820	7711	6281	1358	753	0	32560	1345	8897	0	0	15280	Phytochemical	0.625	0.9583333	0.041666668
14	C24 H23 O15 N1	566.1141	566.11505	0.16134192	566.11414	6998	9031	5178	12231	13414	8559	0	0	16670	11794	9944	3018	38296	3945	1921	2310	0	15310	22418	6599	17641	30395	6222	0	0	0	1686	0	1478	0	0	0	2201	0	19479	1849	2081	2042	1372	5026	13939	7531	0	0	0	19782	60085	0	0	1111	8920	5985	7355	0	24432	21114	9297	0	0	6182	0	9468	41872	18071	8921	11473	5108	2138	0	0	2931	0	0	0	0	0	0	0	6112	25421	4021	23857	1273	1656	29095	9614	5688	4474	5022	0	0	3074	3139	33183	22895	0	11391	9227	15355	20314	20773	2802	1739	0	62331	3045	25115	0	0	26383	Phytochemical	0.625	0.9583333	0.041666668
28	C24 H23 O15 N1	566.1141	566.1148	0.04219498	566.1141	4741	6070	4726	5032	8323	5543	0	0	8019	9163	2103	0	17184	1928	0	0	0	12041	7488	8667	14570	10870	0	0	0	0	1071	0	0	0	0	0	1491	0	13717	0	917	1013	0	5427	5603	0	0	0	0	15761	30030	0	0	0	6085	4701	4252	0	10253	7659	1971	0	0	0	0	4498	13803	8041	1689	8201	3836	0	4046	2649	3634	0	0	0	0	0	0	0	2625	6188	1905	13684	974	1309	10155	4492	1891	1697	2089	0	0	2468	2115	11296	13905	0	4634	5773	6195	7032	8832	0	0	0	20656	1603	6918	0	0	15681	Phytochemical	0.625	0.9583333	0.041666668
12	C24 H23 O15 N1	566.1141	566.1152	0.2770932	566.1142	2287	2437	3682	3601	9205	2773	0	0	13205	6381	3109	1541	16287	1867	969	0	0	5939	6549	3311	9431	12775	3478	0	0	0	0	0	0	0	0	0	0	0	10574	0	0	0	2439	3959	8336	2729	0	0	0	8875	35191	0	0	0	6069	3113	3377	0	10137	12238	3511	0	0	0	0	6012	27637	11361	2363	9683	2559	0	0	0	0	0	0	0	1783	0	0	0	3867	0	1426	11585	0	1003	10954	4478	1919	2625	1816	0	2532	2223	1798	18404	13016	0	2628	5241	9308	16236	12375	0	0	0	0	0	9550	0	0	14952	Phytochemical	0.625	0.9583333	0.041666668
22	C24 H23 O15 N1	566.1141	566.115	0.05996553	566.1141	5945	6048	5820	6866	12959	9729	0	2215	14441	5984	2633	2371	26759	0	3517	0	0	20249	10201	10708	10696	16606	6821	4114	1778	0	0	1523	0	0	0	0	1226	0	8370	1123	2674	2284	0	5827	4256	3555	0	0	0	26251	52740	0	0	0	8331	7804	6185	0	23223	15464	4486	0	3697	2114	2069	7488	25659	17144	3979	8937	3993	0	2453	1892	4304	0	0	0	0	0	0	0	4598	21334	4185	29582	1074	0	19611	10263	5613	0	3827	0	0	3848	2459	24333	17953	0	6509	6413	11230	11492	17693	4738	1504	2745	44222	0	15405	0	0	20622	Phytochemical	0.625	0.9583333	0.041666668
26	C24 H23 O15 N1	566.1141	566.115	0.06985336	566.1141	4317	4303	3931	6056	6423	6498	0	0	9114	8007	2815	0	22421	2526	0	0	0	14074	7469	5016	8567	11674	0	0	0	0	0	0	0	0	0	0	0	0	8552	0	0	0	0	3422	4565	0	0	0	0	19107	41177	0	0	0	4490	4451	3419	0	7973	8428	0	0	0	0	0	6891	20053	8867	0	5451	2406	0	0	3344	0	0	0	0	0	0	0	0	3956	8334	4662	17674	0	0	10110	0	2042	0	0	0	0	1693	0	13629	12972	0	6388	0	5685	3850	8926	0	0	0	26009	1433	8186	0	0	18202	Phytochemical	0.625	0.9583333	0.041666668
12	C25 H27 O14 N1	566.15045	566.1514	0.16194645	566.1505	20488	14346	16199	13289	14321	10496	6236	10655	18234	43301	18231	6435	25968	5750	10563	9615	9418	18025	27485	32531	41204	52360	11512	9296	3243	5985	9326	0	10532	7114	5871	9334	12427	6456	54802	5489	12508	8543	9491	22678	39888	5751	0	0	0	47581	78648	0	5837	8075	16528	20230	9448	0	32468	21736	6960	7977	8565	12109	0	18366	41552	19654	7326	20894	9258	10211	17603	11374	9841	6260	5279	5624	4717	5675	0	7377	12041	18907	14722	33079	6801	10008	22223	9391	12645	9647	9805	15481	5985	6747	16849	46658	34210	0	13631	20104	21104	15656	19117	9370	6473	11520	59949	10433	16756	0	6540	35064	Phytochemical	0.56	1.08	0.04
28	C25 H27 O14 N1	566.15045	566.1512	0.072192095	566.15045	3072	4554	3757	3555	3730	5015	956	0	6157	13907	2829	0	9853	1532	0	0	0	6409	5635	10110	11610	8558	2201	0	0	0	0	1599	0	0	0	0	0	0	11620	0	2058	0	1028	7638	5111	0	0	0	0	21833	29987	0	1478	0	4167	3855	3078	0	4465	4786	0	1465	0	0	1835	5510	6162	3565	2036	3720	2394	1496	3914	8457	5485	0	0	0	0	0	0	1550	3540	5272	1164	14379	0	5354	5037	2067	2471	1798	1366	0	1177	3044	3184	6492	10235	0	3737	3599	3649	3020	2841	0	0	0	18749	1401	4285	0	1010	8637	Phytochemical	0.56	1.08	0.04
10	C25 H27 O14 N1	566.15045	566.1515	0.26137838	566.1506	7759	8656	9268	6426	7412	3029	3488	4254	11824	15602	11002	6246	12832	2248	2699	3680	6239	10373	10571	16574	18475	24353	4381	6190	0	2980	3322	0	0	4127	2777	1600	2887	2776	24315	4473	3300	3332	3644	11248	14735	2451	0	0	0	15213	28982	0	2559	1691	5705	7655	6357	0	13647	10073	3502	5355	2651	5417	0	12208	18822	13742	2134	9326	4141	6785	7153	6816	3827	3426	2661	2675	4302	3322	0	2900	7008	9977	4247	11784	3891	5319	10381	4893	6897	3534	3773	6457	5292	5951	4796	17173	17679	0	6102	10942	7135	9909	12149	4240	2550	3648	17444	3360	8278	0	2795	13650	Phytochemical	0.56	1.08	0.04
14	C25 H27 O14 N1	566.15045	566.1513	0.08830352	566.15045	30750	30665	27769	31041	26982	22180	12734	15944	38026	70396	35896	13036	58595	12707	19100	21719	10932	34764	39198	59328	65540	94693	24076	17964	8389	14550	8958	16522	9041	13850	14575	15913	21844	11337	86956	12597	16341	15563	13347	39204	53046	15707	0	0	0	90710	140976	0	14663	14357	27016	27518	19195	0	54973	30134	14838	13184	20310	8825	0	40320	60723	37391	10621	28965	17947	11504	19824	14185	23611	11484	11010	10815	11597	13279	0	15157	19151	55530	19170	57078	9081	21120	37379	14985	17423	11587	13187	18754	8416	17690	23711	58589	72610	0	29758	34620	26973	29061	31854	18598	9108	25323	147594	14321	27624	0	12824	42019	Phytochemical	0.56	1.08	0.04
16	C25 H27 O14 N1	566.15045	566.15137	0.123318374	566.1505	39516	34696	26059	33291	42209	22520	13838	22264	48668	75861	38143	14142	80380	14433	20399	17396	11858	72874	64250	73522	77513	92462	26061	26815	14405	16574	8696	16035	18690	15548	14044	13280	28343	11276	101908	19155	22375	20209	12111	52193	42105	21294	1381	0	0	125722	153505	0	17453	21147	33436	38349	26808	0	66935	40492	19927	15328	14083	11837	27876	42587	78080	40384	15168	46254	24348	9367	27017	26209	52228	13317	11081	17536	14800	14489	0	14284	24730	72965	18875	94208	10695	26067	49829	30162	21131	14117	21357	0	15629	34248	0	70284	96617	0	39464	43619	38443	35652	46512	22891	13636	23234	123328	19275	31629	0	12702	70545	Phytochemical	0.56	1.08	0.04
26	C25 H27 O14 N1	566.15045	566.15125	0.037156153	566.15045	5003	5321	6239	3288	3990	5694	0	0	8139	13971	2975	0	17998	0	0	0	0	9957	7582	11166	13366	9652	0	0	0	0	0	0	0	0	0	0	2278	0	13044	0	1530	0	0	10098	5170	0	0	0	0	21080	38344	0	0	0	5295	4211	3775	0	6793	0	0	1744	0	0	0	6736	9769	4956	3379	5412	0	0	0	7611	7539	0	0	0	0	0	0	0	3110	0	0	20950	0	3914	9752	0	0	0	0	0	1782	3257	0	9842	13486	0	4840	6907	3482	3828	4722	0	0	0	26213	1463	8736	0	0	16984	Phytochemical	0.56	1.08	0.04
20	C25 H27 O14 N1	566.15045	566.15125	0.09009308	566.15045	71331	69175	56962	62167	87618	65613	17625	17355	100442	140361	51867	11466	163432	40740	39460	28123	13102	137790	126646	143380	129621	158013	32965	41945	34718	34190	10284	32124	24372	11350	20022	25360	27246	24276	154790	14666	28796	27522	17966	94723	55424	35811	2852	0	0	326355	291306	0	27057	17828	71852	64327	61278	0	121971	85858	35673	20173	27840	7154	29002	68766	158950	83887	33670	100700	50696	11269	43942	64586	37605	19280	8140	20006	14954	22213	0	23485	35736	169554	31371	234486	11626	28590	106596	66960	37799	35425	35053	11522	34678	48086	46877	121883	147945	1024	63775	72168	82018	71803	76322	33849	21939	35782	277013	23426	65909	0	31347	135071	Phytochemical	0.56	1.08	0.04
10	C24 H27 O13 N3	566.1617	566.16266	0.1574745	566.16174	7310	7482	6158	6731	4684	1712	2271	4692	6180	4223	2767	5246	14119	0	5902	5452	6584	7252	9602	6462	8341	21511	7208	8160	3120	0	3103	0	4549	5755	5494	8325	7032	5549	8632	5837	7523	6399	10419	9473	12208	4946	0	0	0	10346	15060	0	5342	7804	10039	6166	5035	0	10268	5468	4188	5813	7556	7101	0	4102	11249	9701	3032	5641	3962	6373	0	1821	2535	5932	5304	3567	4294	5407	0	5405	6410	4832	5850	6410	3166	2370	5683	2209	5718	3782	3602	7054	0	6430	14105	10289	4802	0	7365	7348	4459	4459	4200	8765	4546	4175	0	5171	3014	0	3679	13736	Phytochemical	0.5416667	1.125	0.125
8	C26 H31 O13 N1	566.1868	566.1879	0.30047563	566.187	13720	25148	17984	13452	14356	7820	5900	17756	10280	31416	18540	7268	26216	0	9508	20276	11420	13084	25748	32212	39852	43780	10028	24304	5680	7864	5880	0	10799	7868	14372	22868	15428	10056	55892	9728	16300	9212	16676	26176	24492	10648	0	0	0	29908	30564	0	15536	14348	23096	26692	9220	0	26124	15048	8160	16384	9616	13912	19972	21756	24536	23412	6956	16412	9700	26280	0	6084	0	14596	13672	10758	16164	9220	0	7896	14448	0	12756	16604	9256	17128	14244	0	14096	12548	10076	17688	0	0	19399	22828	37464	0	17472	20420	8008	13944	12976	12240	7860	10988	0	11772	12132	0	11592	25676	Phytochemical	0.5	1.1923077	0.038461536
26	C26 H31 O13 N1	566.1868	566.18756	0.056964897	566.1868	5828	4493	5951	6382	6403	6207	1609	0	7102	24530	5741	3065	18211	2905	0	0	0	10166	7631	24512	21109	10787	0	0	0	5004	0	3339	0	0	0	0	1719	2487	21285	0	2756	0	0	14559	7062	0	0	0	0	19758	28329	0	0	0	5884	7091	3750	0	7711	0	0	3714	2578	0	0	8926	12851	6517	0	10000	0	0	7878	17725	12679	0	0	0	0	0	0	0	5012	5619	5781	16782	0	5602	12280	0	2635	0	3047	1782	3320	2739	4671	6658	13066	0	6489	5812	6226	5064	8243	0	0	0	16876	1619	0	0	2623	14602	Phytochemical	0.5	1.1923077	0.038461536
16	C26 H31 O13 N1	566.1868	566.1877	0.07816509	566.1869	66068	74960	70294	68583	46760	45002	32248	64183	67109	160215	70328	34078	87513	28587	53742	53560	35655	83866	96035	158640	141142	109080	52375	74544	43309	57395	27681	54313	53777	51633	50861	63649	57504	45067	207931	61407	59905	38447	32428	113641	72806	33646	1313	0	0	163914	152646	0	53265	54278	65185	66992	43478	0	80103	48868	27495	62484	68092	30602	60666	76219	76399	59722	26369	59098	42670	29616	56502	79688	69401	51460	52599	57086	36135	46592	0	39719	47810	50513	33818	104851	40009	72480	66436	41366	40440	28067	36569	35119	47525	60999	78088	76772	136624	0	59281	91844	49005	40606	46010	56863	30884	77097	120419	44309	44774	0	37591	82870	Phytochemical	0.5	1.1923077	0.038461536
24	C26 H31 O13 N1	566.1868	566.18756	0.078389674	566.1869	11515	9574	11023	11399	16997	15004	2016	7541	16397	31605	6653	4503	31153	6372	4785	7337	3530	24163	19117	29881	27225	24736	7211	7075	6818	16037	1918	5229	6808	4176	4178	3549	4509	5920	37267	3325	7654	4940	2655	19009	13699	3067	0	0	0	40155	50746	0	3909	6164	9809	15076	7415	0	26456	11034	6439	5062	6866	2873	5265	20731	19853	14062	5373	14530	6474	2253	16082	26135	19702	6527	5153	4187	4407	5362	0	5873	8812	11815	8258	26307	2385	16796	19839	8895	4196	5547	6184	2515	5307	6861	13705	14208	19736	0	14921	13307	12900	11152	12666	3704	4495	8588	36961	4453	11840	0	3266	29000	Phytochemical	0.5	1.1923077	0.038461536
22	C26 H31 O13 N1	566.1868	566.1876	0.061651286	566.1868	91907	88873	93894	97378	108350	97235	21866	51830	143685	287522	97446	41360	208700	48105	57223	41484	32054	179463	150416	251762	247068	149176	67692	67964	55830	102482	25315	60563	63556	28501	50869	50830	47820	95018	247343	52565	67300	45769	33820	148653	141118	40272	0	0	0	326464	276097	0	52278	49541	99580	80016	68825	0	176809	100007	50565	47583	54292	14883	51553	119204	176168	103611	44126	95331	63833	26696	119947	188206	143059	61324	48065	47740	30668	44605	861	44086	65096	74298	61262	216501	38145	100747	128016	63013	55801	33831	42319	25644	46093	70954	78608	94261	200239	0	75252	119471	110861	66994	87472	66992	31557	68285	250181	61811	97843	0	44869	180161	Phytochemical	0.5	1.1923077	0.038461536
20	C26 H31 O13 N1	566.1868	566.1876	0.041183155	566.1868	209345	231642	231208	204925	206033	197271	64332	160111	263490	621257	251032	69484	362793	113365	118416	125621	71434	268706	321517	522905	439304	330398	130830	148236	121103	283456	60464	212115	167072	124524	118673	141632	157812	147531	727095	126935	207025	112918	49708	424077	192654	100356	1869	0	0	568107	394256	0	140076	135466	188773	198122	131105	0	339214	160305	95353	150638	167975	68965	138081	252471	305415	224964	67683	229121	149632	67256	234609	469287	361239	179361	166267	118436	69678	162628	267	121580	136494	135566	136724	377362	101663	247857	189665	97787	126025	74352	133434	57598	157351	178012	182023	208514	309628	0	251810	193808	217698	137801	147545	115540	70375	171736	380801	124196	149391	0	133100	311166	Phytochemical	0.5	1.1923077	0.038461536
18	C26 H31 O13 N1	566.1868	566.1876	0.0334801	566.1868	77704	68201	68310	61962	72127	51294	29115	65069	67995	182877	74805	32017	111325	35320	52885	49187	29354	97332	112170	194148	157676	114057	52935	66895	55042	74709	30967	48051	60230	45554	50597	49680	62736	50103	199641	60691	63579	39726	26877	128568	68445	35658	1853	0	0	214591	159536	0	50633	45177	73219	71732	42880	0	107554	53830	29371	49176	55442	21461	48718	88833	103648	69585	29345	74594	49246	30785	66590	109330	78418	57900	48281	51837	35590	43626	0	33140	44418	61020	42748	129247	40335	67704	71606	50391	36085	34364	38011	23331	46388	70204	75002	69832	141409	0	73430	89459	53154	44699	48378	49370	28574	58271	135584	49964	54041	0	35345	85663	Phytochemical	0.5	1.1923077	0.038461536
14	C26 H31 O13 N1	566.1868	566.18774	0.06353823	566.1868	55413	50392	39714	50658	28423	23171	22452	49406	36605	103086	51727	23543	56296	17070	38749	40208	26434	51169	55680	109816	110004	93758	40120	49616	31344	44204	23716	41130	32321	39732	35937	36864	46299	29093	131447	41059	35973	32223	26105	73114	54474	23242	0	0	0	105192	120913	0	38949	43573	45282	40989	27813	0	50773	30675	20627	46056	51084	25803	38148	67171	43601	38499	17534	36396	29797	24128	29128	45870	49299	39310	37097	40116	28353	39992	0	31397	34442	51257	31971	59932	26205	46481	35384	25089	29014	22275	22078	27171	32019	36475	52338	58442	74989	0	43952	58819	27672	24049	30828	41443	27121	59745	91180	34886	30566	0	28117	46165	Phytochemical	0.5	1.1923077	0.038461536
16	C25 H31 O12 N3	566.19806	566.1988	-0.21156459	566.19794	108006	66734	69171	76613	68065	42634	66749	109106	103865	215307	78521	50295	79680	23828	60734	206986	55340	90963	83566	167395	143811	132147	56205	78651	71348	105805	8431	66768	73812	62968	92090	129929	86997	50856	284240	116875	58080	53660	73835	135751	83381	34725	0	0	0	164794	172215	0	112600	59756	70676	97920	55504	0	81313	43771	36973	105984	45622	35495	110046	94110	89884	78410	36046	72189	50006	87160	47836	110874	116545	78662	56382	75613	544458	79255	0	52253	80458	0	52506	137800	47543	72398	58305	39945	55723	30389	43448	0	36040	82845	0	80484	113313	0	96149	63380	59784	65280	38506	59653	54331	54116	110985	95215	41335	0	70353	73940	Phytochemical	0.48	1.24	0.12
8	C25 H31 O12 N3	566.19806	566.19904	0.12560622	566.1981	7965	11748	4817	8125	4996	2830	5250	10499	6863	4259	2700	6057	8187	1309	7620	14953	10359	6179	6441	9054	9654	11734	8371	15303	5216	749	6937	3345	8868	7485	8900	7875	10293	8333	12233	8921	9468	5511	13349	10747	9257	4931	0	0	0	8509	8737	0	12720	8916	11011	9528	2885	0	9412	3631	3520	8983	5602	7580	9393	4343	9545	7680	3809	7712	5429	12261	0	3176	0	8643	7792	6757	4221	6882	0	5726	8427	3670	5846	4999	6360	3651	4246	0	6259	6237	4876	22068	0	12685	23700	8227	9052	0	9788	7389	3214	6216	4252	11193	5733	13668	0	11261	1945	0	9552	9029	Phytochemical	0.48	1.24	0.12
12	C25 H31 O12 N3	566.19806	566.199	0.08134509	566.1981	13228	16083	16576	14027	6553	7471	16151	28759	8271	12245	8483	11956	13427	3693	18219	18152	18812	15157	15364	13427	14758	26756	17259	21776	14632	0	8780	0	19325	13092	18810	12913	28108	15001	16144	11749	16460	20124	21400	23638	13261	7838	0	0	0	21290	13482	0	18216	14937	14813	17436	8618	0	12783	8498	7465	19293	25227	10230	17162	14708	13692	11712	5924	12965	11743	15874	0	5962	3267	15309	12206	13931	10759	12453	0	18333	14395	0	14727	8022	18330	11669	9410	7080	19543	8916	8352	29652	15335	29566	36531	9069	11737	0	19341	15651	6074	7665	4864	20183	11722	25424	0	23210	7165	0	15116	13899	Phytochemical	0.48	1.24	0.12
22	C30 H31 O10 N1	566.2021	566.2028	-0.0968897	566.202	4999	8748	4001	8484	5385	5775	3176	3126	7054	24920	25343	0	0	5402	2268	4951	1612	6406	5439	22393	22687	8573	2883	3918	2778	32239	0	19322	2296	1471	3410	0	3328	1844	23641	0	1991	1961	1337	20415	15639	4111	0	0	0	13970	13575	0	3360	2968	8111	5328	3304	0	4568	3819	2705	2802	0	2559	3949	14301	4112	3903	3234	3841	6238	4381	35486	42923	42026	2926	2204	0	1187	0	0	0	4990	11120	2891	7683	3988	10905	5504	3748	5912	4124	3199	3158	0	0	4005	13768	17640	0	6077	8330	3778	5369	3469	2795	0	2991	7870	3283	4531	0	3513	4218	Phytochemical	0.33333334	1.0333333	0.03333333
24	C30 H31 O10 N1	566.2021	566.2028	-0.047240335	566.202	4730	5664	4266	2288	3280	1991	0	2816	5000	16112	19683	1441	5750	3892	0	0	0	4296	4856	11608	15549	4781	2741	1983	2005	18006	0	15234	2149	2300	0	1782	1378	0	18673	0	1619	0	0	15230	13012	2527	0	0	0	8543	9673	0	1344	0	4326	3826	4061	0	2847	3670	2501	1450	0	996	3652	8832	6050	3534	2119	3201	2551	2776	13098	25624	29028	0	0	0	0	1455	0	0	3535	7723	1197	6998	0	7491	5209	0	3313	2852	2057	2310	0	2819	3254	9576	9236	0	3350	6267	3370	6498	3032	2386	0	2372	4085	2863	0	0	0	3221	Phytochemical	0.33333334	1.0333333	0.03333333
18	C27 H35 O12 N1	566.2232	566.224	0.021921411	566.2232	104231	115810	102099	100677	82586	71251	61524	136843	90456	232788	99864	58809	136202	45661	100860	115654	61236	134932	152685	275988	216766	133432	110843	144948	95638	174264	52370	85973	151275	107810	107063	107819	112017	111074	243908	123837	113277	64884	58944	167464	104772	70321	2859	0	0	193842	131288	0	107848	106314	110285	114708	74069	358	140035	87883	50318	101175	100704	46768	125497	123029	116355	96357	42519	94344	64844	59914	132371	183804	159482	108946	92739	118256	63570	112546	0	77653	86420	67721	70178	110525	76676	95011	89218	65576	73102	60240	66361	53424	90013	119147	148987	73660	138019	413	110426	126204	83808	53465	60223	107383	63146	144537	119815	88786	71014	0	72939	103342	Phytochemical	0.44444445	1.2962962	0.037037037
16	C27 H35 O12 N1	566.2232	566.22406	0.022510612	566.2232	82358	75681	72719	73623	49149	41813	39797	94469	58154	134221	65097	53358	71640	26657	75033	87345	48237	68961	85930	155925	147227	90711	76103	104723	62968	99912	38098	52545	85734	81745	74154	68821	80492	57212	162144	76336	79939	50149	47364	117175	78748	42077	1143	0	0	111444	96141	0	85749	81495	80225	84720	43407	0	81341	45019	29699	61563	72039	44961	102672	73048	56056	55237	26414	51962	42696	44907	85566	113724	87721	73308	74616	94637	52881	66789	0	54761	59430	55161	44648	65978	62190	86808	62922	51339	54196	38591	37811	52933	69168	77449	122360	46097	87828	504	74073	90975	45351	35727	43082	97709	43734	95483	79078	76499	49406	0	52757	65280	Phytochemical	0.44444445	1.2962962	0.037037037
14	C27 H35 O12 N1	566.2232	566.2241	0.06044213	566.22327	43533	42834	37039	33829	22836	20879	25099	50641	25707	60781	38477	25641	25521	12932	32255	50363	32246	27697	36907	69075	68020	55508	37259	47845	25850	50375	21985	29081	35390	44140	34120	47108	44318	31179	81268	43683	30370	28692	28662	49748	42580	19135	0	0	0	55839	34716	0	40140	33916	36163	39947	21404	0	40227	21779	16282	39667	41115	33681	48547	36018	26612	26843	13355	22985	24566	30517	46163	53449	37265	34604	33953	52678	32287	34519	0	27223	27126	25265	23469	29251	30094	31116	21938	20661	32249	17181	20767	41360	28371	33610	59398	27657	48688	0	33918	37221	20624	16357	21492	44418	24736	61731	34170	36766	19627	0	27929	30259	Phytochemical	0.44444445	1.2962962	0.037037037
28	C27 H35 O12 N1	566.2232	566.22394	0.11903034	566.22327	4414	5291	7243	3993	4745	3630	2313	3272	4520	16720	3434	0	14192	2646	2468	5069	0	6930	6454	16519	12267	5928	3635	5101	0	14224	1821	3643	2688	0	2935	2350	3152	3956	16520	2428	3068	1805	2542	7667	4492	0	0	0	0	9183	10357	0	2990	3534	6757	2711	3834	0	5661	5481	2043	4681	3894	1860	3905	6005	5504	3996	0	8723	3107	1545	9153	22306	13886	2295	2321	0	2184	1470	0	2623	6057	0	3616	5761	2736	4679	7490	2816	2874	2327	2104	3597	4229	3621	3693	2529	4101	0	6034	3982	3630	4826	5732	2154	2172	2511	6146	2609	2967	0	2003	8379	Phytochemical	0.44444445	1.2962962	0.037037037
20	C27 H35 O12 N1	566.2232	566.224	-0.007808063	566.2232	99718	100758	101186	89340	100619	84181	47685	116720	111558	235204	98696	58356	144057	60338	100621	91819	53094	149802	156367	265777	212636	118413	103236	120306	82885	163034	36592	81185	100258	96673	85586	83997	100434	85111	259430	109555	116653	59406	43517	163298	84592	64149	2139	0	0	232135	149369	0	89030	94709	103259	94043	69473	502	145135	96088	52228	94980	92076	36410	101518	102843	116143	99968	45679	96667	73506	49819	126042	214193	148296	101368	93423	102334	59141	84184	0	67923	86405	60227	76222	102390	62461	132912	98562	75485	65756	47103	62849	47832	80653	118367	142781	72124	124815	727	117042	133984	82513	65878	80603	103596	54370	116330	133124	88077	89897	0	51113	138692	Phytochemical	0.44444445	1.2962962	0.037037037
26	C27 H35 O12 N1	566.2232	566.224	0.071501255	566.22327	8935	13201	10387	11661	10820	9959	0	9898	16279	32183	7365	4352	32753	2578	14190	9188	0	23532	19075	28468	27500	11198	12124	8415	0	19563	2259	6558	6175	0	5619	0	5051	7465	27124	7140	12770	5418	4378	19204	12548	0	0	0	0	28046	25167	0	7852	6354	12124	10205	7972	0	15863	11636	5714	9635	4461	0	9024	11594	16388	11876	5808	14809	4280	4118	17160	41180	30324	7630	6166	0	0	3374	0	5895	5697	5999	11489	12501	5008	11588	12467	0	10852	3597	3859	3789	7346	9562	8449	5006	9915	0	8168	11023	8299	9121	8155	0	2632	8979	13475	7815	9677	0	5321	20887	Phytochemical	0.44444445	1.2962962	0.037037037
22	C27 H35 O12 N1	566.2232	566.22394	0.003279287	566.2232	60588	61748	54102	63215	56340	63922	24856	59779	72920	160726	53695	36778	103961	37669	49991	53186	26662	106256	89378	162298	137377	70305	54635	60821	46159	98467	23439	48533	55413	46187	51637	49219	51128	48802	166192	49171	56358	40363	24068	103774	49839	34524	0	0	0	136651	98475	0	44695	41890	67653	69009	48813	327	92629	61721	33985	40929	45841	20163	52143	69309	88619	65988	27472	70269	44274	26616	73642	169393	93133	62952	45103	46673	24276	37414	0	39458	51665	25314	48901	74545	32989	53698	72124	44144	39258	31335	30788	21540	45056	60793	73906	32878	73557	0	59823	82485	53667	46883	53291	44209	33784	64737	91120	49472	59185	0	31028	102808	Phytochemical	0.44444445	1.2962962	0.037037037
12	C27 H35 O12 N1	566.2232	566.2242	0.1727467	566.2233	21750	14843	15107	19916	6296	8732	13312	21037	11081	37231	12856	11999	13968	2822	13460	13368	13401	11216	14994	29350	28041	27041	17977	21323	13502	13984	8333	0	27650	14574	17987	11940	23216	17671	42273	17155	17755	13791	16571	28788	13950	7615	0	0	0	25612	19415	0	15258	19900	13884	15724	10786	0	14050	8049	3893	20622	13386	12519	0	14579	11301	9940	4536	16034	12012	19301	0	17246	15042	10695	14349	17151	14145	15977	0	12370	15265	0	11238	9927	11084	13728	9980	6409	16333	5292	7961	21231	19591	18712	19724	15088	11323	0	13912	23184	8317	6305	6367	21985	13082	21904	0	16129	8338	0	13547	9901	Phytochemical	0.44444445	1.2962962	0.037037037
14	C26 H35 O11 N3	566.23444	566.23535	0.260457	566.23456	10623	9592	9247	7337	2644	4620	8028	17221	6761	0	4047	4080	2287	0	10874	10183	5195	4241	0	0	6206	13666	5893	13394	17910	0	4443	0	9574	10137	8914	12831	12893	8496	9509	6749	13447	10871	7112	9182	0	2576	0	0	0	8239	0	0	9264	9368	6978	3812	4095	0	9292	2488	2755	9847	6990	0	0	5779	4680	7003	3796	3876	3568	8966	0	0	5160	9037	13553	5735	3268	9100	0	6897	9900	0	6291	4581	6386	4697	4739	4736	8898	5804	7809	0	11602	18308	23490	3259	5435	0	4561	6586	0	4764	5282	12979	8780	12539	0	8219	3166	0	11745	5974	Lipid	0.42307693	1.3461539	0.115384616
24	C31 H35 O9 N1	566.23846	566.23914	-0.08630126	566.2384	5984	6995	6028	6465	5197	4593	0	4644	3186	14897	17425	2820	4615	4987	2273	2468	0	3834	5817	16880	14720	10176	5680	7814	3468	30924	1325	17532	2197	5390	2126	6566	8234	2851	11573	2681	3848	1966	2968	14741	18595	4954	0	0	0	11941	8363	0	5696	3165	7304	8055	5116	0	2683	4117	3086	3724	4107	2807	3895	8307	4656	3866	2257	2116	4021	1407	28734	27650	33271	2227	5216	2162	1737	3352	0	2165	5130	9251	3424	4345	2186	12324	3462	0	4049	4068	2056	3437	3667	4487	9589	5168	6922	0	5255	5431	3810	3171	4182	4429	2167	5151	6605	6030	4027	0	4597	2992	Phytochemical	0.29032257	1.1290323	0.032258064
22	C31 H35 O9 N1	566.23846	566.2392	-0.094356894	566.2384	12432	5045	5352	8587	4973	5382	3560	6230	4337	16437	22933	3832	2374	0	4902	9526	2007	7267	6088	23008	19557	8138	3995	8770	5068	33198	4353	25167	5402	3354	5362	7620	7375	4348	17320	5839	7520	3403	4928	20447	20254	6939	0	0	0	14780	9978	0	4035	4965	4651	9058	4133	0	3090	5737	2907	7262	3627	5273	8527	10536	3545	5546	3578	7656	4514	6372	29175	35896	39601	4523	6414	3050	2535	4695	0	4955	5494	7796	4510	3825	6282	14309	4159	4019	6657	5125	6104	9369	9977	9401	15654	7570	9703	0	6660	8007	5262	3813	3263	5142	0	5505	3985	6744	2689	0	3765	3571	Phytochemical	0.29032257	1.1290323	0.032258064
6	C25 H35 O10 N5	566.24567	566.2471	0.2910093	566.24585	1392	1354	1898	0	480	1308	570	1100	675	0	0	888	568	0	1210	2229	1424	0	1079	0	0	1648	840	1135	1025	0	568	5142	1455	1379	0	1833	1569	1410	919	1089	1716	653	1087	0	0	512	0	0	0	0	0	0	2828	1386	1884	1430	580	0	1142	0	584	0	907	0	1733	0	673	1262	0	0	494	0	0	0	0	0	855	942	0	750	0	770	1042	14392	486	0	449	0	0	0	1132	1051	748	0	20391	9672	3492	2348	0	0	2118	1980	0	0	0	1152	1160	0	0	2049	0	0	0	0	Peptide	0.4	1.4	0.2
8	C25 H35 O10 N5	566.24567	566.24695	0.32026076	566.24585	1827	1093	2303	3296	0	2432	1733	2124	1472	0	2689	940	0	0	2379	1898	1979	0	0	0	0	0	1082	0	1507	0	1173	11975	1881	1867	2264	2088	3329	0	0	1266	3137	1771	1716	0	0	0	0	0	0	0	0	0	1936	1411	3381	2851	960	0	2101	0	654	1400	1144	0	0	1095	0	0	0	1081	0	1446	0	0	0	1297	2344	2449	841	1370	0	1333	0	57548	1443	512	826	0	0	0	1507	0	916	3378	101605	29172	0	9319	0	0	2540	0	0	0	0	2089	979	0	0	1933	0	0	1801	966	Peptide	0.4	1.4	0.2
12	C25 H35 O10 N5	566.24567	566.24695	0.5270687	566.246	0	0	5364	0	0	2922	0	5122	2596	3380	2800	3212	0	1788	5408	4294	0	1632	2096	4034	0	0	5170	0	11780	0	0	28226	4086	2476	4876	6330	5902	3904	14594	6690	5086	3544	4882	3212	0	3070	0	0	0	0	0	0	4670	0	1844	4734	1760	0	5098	0	0	0	0	0	0	0	3840	0	2304	3202	2952	0	0	0	0	3968	5048	4584	1520	5648	0	1606	4690	31781	3388	2022	3558	0	0	1764	7006	1970	3120	0	99042	15142	9642	4654	3498	0	0	0	0	2670	2200	0	3696	6868	0	3014	3368	0	1551	4344	Peptide	0.4	1.4	0.2
4	C30 H35 O8 N3	566.2497	566.25006	-0.8682741	566.2492	0	0	0	0	0	476	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3364	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23830	0	0	0	0	0	0	0	0	0	0	3688	0	0	1255	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.26666668	1.1666666	0.1
18	C28 H39 O11 N1	566.2596	566.2604	2.44102E-4	566.2596	97821	81565	83853	82367	66618	53408	69900	117393	60498	117455	70249	72165	89669	33610	90584	120311	61871	78147	121997	167128	128326	73439	93233	133908	82565	129932	82187	63066	126037	114878	92015	107342	91586	103595	114094	118300	92475	68392	62766	96139	65233	63901	1094	0	0	101470	82827	0	111594	111936	85164	83212	63102	0	90583	61587	43180	190564	66882	53204	113293	65977	69392	68807	36700	64122	56414	64710	0	153350	148335	91723	85717	117196	83930	120417	0	71114	79611	50408	71725	54316	72864	66317	82038	52797	63988	48742	52889	62833	79495	94691	142032	42315	88915	0	88921	97021	54331	49669	73239	114369	70401	115510	52033	81266	59423	0	67504	69624	Lipid	0.39285713	1.3928572	0.035714287
16	C28 H39 O11 N1	566.2596	566.26044	0.019755447	566.2596	41400	29288	36602	31234	19937	22521	30327	60011	29417	45749	33363	31796	24938	15253	34861	55757	36184	27224	37427	64831	57358	31165	40716	58632	40888	56240	28569	22628	45988	50509	43576	40342	41910	37777	38084	53171	38047	28483	34988	47069	32586	23741	376	0	0	42901	30345	0	51957	47412	33720	30166	24794	0	29112	26630	15819	45324	34051	34197	62400	20966	20168	24545	14979	24916	26653	32691	43946	49853	40397	38911	40796	55775	41972	43744	0	34454	34900	27672	36136	21139	34846	23602	31960	17633	29628	17432	22651	37152	51478	40898	62248	17163	38047	0	41508	40247	22054	20470	30235	57234	29976	57594	23724	37706	25593	0	32281	29407	Lipid	0.39285713	1.3928572	0.035714287
26	C28 H39 O11 N1	566.2596	566.2604	0.021962313	566.2596	22483	18152	18347	18352	26716	20606	6397	20366	25267	47428	19647	7513	42266	15108	13319	26313	6625	27745	36681	52412	47341	17373	19678	23394	7052	45446	3466	14237	15871	14804	14603	12347	17482	13570	47639	14662	20212	10312	9522	29533	22769	11466	0	0	0	30760	22200	0	17671	16756	20657	19655	17127	0	35868	26404	7871	21610	10645	7854	19898	18688	36209	23358	8209	25460	15465	5723	42706	68348	59779	21944	14881	14678	8349	12844	0	12354	20681	6913	15277	16516	9445	15343	29390	15204	15526	12449	11818	8741	16917	20851	25154	6771	23778	0	19049	20380	17690	22445	27557	21582	8768	25563	15691	12131	19679	0	9331	37125	Lipid	0.39285713	1.3928572	0.035714287
14	C28 H39 O11 N1	566.2596	566.2605	0.08297873	566.25964	15580	16266	14547	17755	5924	6810	11483	21534	5960	19775	14740	10117	8638	3964	15999	23973	18655	9377	11442	24754	24276	13824	16770	30458	14713	14224	10479	0	19818	16557	18549	18101	23361	13328	24621	20183	14860	12764	17445	16175	10303	6199	0	0	0	19599	8349	0	20630	20151	13907	10845	7451	0	13435	6708	5619	21161	10799	13777	0	8700	8583	10398	5292	6165	8785	12969	0	17169	16406	14471	17484	23549	19388	19513	0	14734	18247	0	10070	8485	13930	8061	7404	10941	12862	12636	11385	14099	18354	20920	24327	6546	14397	0	16033	16729	6947	7846	9582	17336	9067	25035	0	17151	6914	0	13033	4647	Lipid	0.39285713	1.3928572	0.035714287
24	C32 H39 O8 N1	566.27484	566.2756	0.028424745	566.27484	6408	7122	5542	7644	3308	1740	2444	7067	4408	6784	11736	4429	3242	3957	2377	10104	6695	3378	1876	13174	11844	4507	3133	9476	6772	23956	2400	15609	7530	5698	7125	6701	9509	6991	7125	6271	8436	3223	5208	11640	13768	4597	0	0	0	7286	6425	0	7108	7552	3048	6597	4427	0	2030	4069	3313	9178	3421	4837	9063	6784	1547	2262	1561	1363	6570	6539	23507	21094	21564	6948	7890	3480	4549	5438	0	4493	7193	6172	4773	3265	4234	11913	4376	0	7160	4084	7493	6303	7970	6946	10306	5326	7315	0	4991	4728	2047	2999	5149	7294	3831	8874	2547	7338	5285	0	6549	1825	Phytochemical	0.25	1.21875	0.03125
12	C26 H39 O9 N5	566.28204	566.2825	0.16720569	566.28217	0	2839	2303	0	0	2652	0	0	0	0	2556	0	0	0	1240	0	0	0	0	0	0	0	0	0	0	0	0	40012	0	1032	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2390	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	168133	0	0	0	0	0	0	0	0	0	0	229840	82119	0	13572	1515	0	0	0	0	0	0	0	1067	0	0	0	0	0	0	0	Peptide	0.34615386	1.5	0.1923077
10	C26 H39 O9 N5	566.28204	566.283	0.24197438	566.28217	2161	3158	3483	6265	0	4467	0	0	0	0	3409	0	0	1453	0	0	0	0	0	0	0	0	0	0	0	0	0	61560	1375	0	0	0	1962	0	0	978	0	701	0	0	0	0	0	0	0	0	0	0	0	0	4242	4305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	245157	0	0	0	0	0	0	1086	0	0	0	458768	137409	0	33426	4163	0	5279	4811	0	0	863	0	0	0	0	0	0	0	0	0	Peptide	0.34615386	1.5	0.1923077
8	C26 H39 O9 N5	566.28204	566.28326	0.40202728	566.2823	3172	4269	5469	3544	0	3784	0	0	0	1195	2883	0	0	0	0	1686	0	0	0	886	0	0	0	0	826	0	0	33627	0	0	0	0	1681	0	0	0	0	637	0	0	0	0	0	0	0	0	0	0	0	0	3359	3405	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	881	0	1277	0	901	0	737	0	177823	0	0	0	0	674	0	0	0	0	1279	382827	144534	1457	17159	2888	0	5714	3373	0	0	0	1130	0	0	0	0	0	0	0	0	Peptide	0.34615386	1.5	0.1923077
6	C26 H39 O9 N5	566.28204	566.2828	0.47750473	566.28235	0	0	4215	4704	0	11697	0	0	0	0	0	0	0	0	0	4101	0	2889	0	0	0	4050	0	0	0	0	0	32139	0	2070	1998	0	0	0	0	0	3711	0	0	0	0	0	0	0	0	0	0	0	0	0	2418	4248	0	0	0	0	0	2400	0	0	0	0	0	0	507	0	1386	0	0	0	0	1980	0	0	0	0	0	0	0	150672	0	0	0	0	0	0	0	0	0	0	176004	49907	5139	15405	0	0	0	0	1800	0	0	0	2088	0	0	0	0	0	0	0	Peptide	0.34615386	1.5	0.1923077
18	C29 H43 O10 N1	566.29596	566.29675	0.012701811	566.29596	20811	24196	19676	19244	15150	10863	18489	36119	15294	19487	19402	20386	17239	9665	27436	36741	34512	15047	20505	30159	27549	13167	28272	43001	24195	31588	21647	15677	34340	33282	27209	27647	27963	28368	10344	29747	23577	22068	26885	20815	11400	18155	537	0	0	18366	15477	0	27814	28196	22522	22384	15745	0	26981	16392	12517	30641	13729	17918	35556	8874	16011	20552	9224	12917	15204	29325	22769	27385	24753	18885	23881	28135	30675	34745	0	22332	33572	13432	23954	12302	16149	11992	24743	15769	23141	13276	15722	25493	24261	22145	30068	9476	13743	0	24582	26547	12195	17740	24103	34339	17205	35234	11252	23418	21489	0	22445	11626	Lipid	0.3448276	1.4827586	0.03448276
20	C29 H43 O10 N1	566.29596	566.29675	-0.012011154	566.29596	63614	64930	61508	54651	59428	46354	43752	80338	49530	54590	41050	44297	64793	31484	74333	91748	59985	67537	78737	99593	90218	38238	67407	83622	54715	92522	44670	48519	78362	70194	58720	64967	84508	57446	62688	79127	79611	49773	52262	57006	45503	47470	953	0	0	59508	50725	0	69263	73328	64710	58395	50898	0	90922	58423	30880	73293	56187	37361	79632	35520	58046	60354	32324	65951	44101	56762	74594	102690	87536	61675	56583	76824	62686	63051	0	50457	72520	29230	58048	30917	48767	52469	73217	42054	70023	37974	43171	56652	59044	70879	91641	28337	46631	0	64885	80867	44691	42673	63261	88952	45420	86986	34692	62045	63270	0	49828	66587	Lipid	0.3448276	1.4827586	0.03448276
28	C29 H43 O10 N1	566.29596	566.2967	-0.006453526	566.29596	7850	7440	8137	8546	13498	4912	3403	4899	10164	11314	5267	3129	14787	4949	5498	5811	5021	9856	14101	13274	13713	6065	4979	7475	4022	21928	2669	8823	7084	5432	2874	4376	6313	7511	17782	6945	10225	4713	4663	8274	8058	3875	0	0	0	6620	6197	0	7062	5004	8507	5937	7455	0	13987	13562	3512	8609	4944	3235	7361	4862	12830	8990	3949	13557	6140	5473	17948	31695	30508	4999	3912	5982	3012	4094	0	2719	11510	2283	7499	4150	7061	5561	13904	6292	11154	3428	4415	4925	6932	12258	5363	3403	4678	0	10078	9083	5977	12482	15333	5508	3358	9014	3248	5634	8206	0	3831	11798	Lipid	0.3448276	1.4827586	0.03448276
14	C24 H48 O10 N1 S1 Na1	566.29694	566.297	0.19255924	566.29706	0	6956	0	0	0	0	4524	6994	3422	0	6288	4294	0	2966	5528	9960	10090	3114	4006	5554	0	0	4428	11264	12288	0	3974	0	8124	10544	6512	0	9442	6712	0	10076	7124	3306	5096	4118	0	2408	0	0	0	3186	0	0	11276	8286	5832	3668	4064	0	0	3198	2366	11502	0	0	0	0	0	2618	2896	0	0	6398	0	4902	0	4170	6398	6814	7962	7224	0	6648	4640	0	3854	0	3446	3842	4372	0	3434	0	2838	8754	27305	0	8318	0	5340	0	3940	0	4500	0	3484	4878	2908	9698	0	6660	0	0	5092	0	Organosulfur	0.41666666	2.0	0.041666668
14	C38 H47 O3 N1	566.36285	566.36414	0.17068252	566.363	567020	641292	566544	513484	4750	8068	736536	238362	11846	261010	687478	166088	14808	17522	67980	72380	680974	6652	6818	413096	31456	2286204	118062	977240	3414	5942	121544	4444702	39994	23096	14314	40930	18352	29142	17788	14878	14730	191434	212538	88976	1533952	12886	46840	0	996	202386	1784710	1296	39114	410106	542232	618496	5917	6904	6414	2304	10045	612092	1185030	3508726	11452958	438454	58464	26254	0	24384	14778	64764	8702714	169922	151808	57058	11554	15772	29046	14450	1468	35872	13160	8617888	4024	11162	7660	3692	0	0	0	8830	5814	1691148	144154	329992	104980	1030514	77260	2226	555604	778116	124772	2170	0	658194	64912	808452	1259916	9152	5536	1272	2378	24516	Phytochemical	0.078947365	1.2368422	0.02631579
26	C31 H51 O8 N1	566.3688	566.3693	-0.05670323	566.3687	6554	8025	9229	5168	15345	5099	17763	7543	11707	0	3147	3050	0	8233	11250	0	0	9473	16829	0	0	3115	7838	0	11803	0	12545	4635	9524	10222	7565	10687	11947	8520	3580	14950	13818	12963	4774	5770	0	7305	0	0	0	0	0	0	10624	8164	6987	7308	12028	0	23946	14636	6093	10967	8479	0	11641	2466	10927	11632	5676	8680	9784	4789	0	3944	2485	5267	4165	9138	0	8781	0	6885	7535	0	5404	3062	7235	5098	18896	10709	13023	2762	7529	4170	11526	9745	10599	0	0	0	5944	5902	8675	13802	22454	13268	3653	10818	0	5788	13058	0	7715	7590	Lipid	0.2580645	1.6451613	0.032258064
16	C30 H55 O5 N5	566.4276	566.4286	0.26312265	566.42773	28895	29767	30995	29472	3994	3999	4184	0	1310	0	0	1048	2503	1321	0	108942	0	13694	0	0	0	0	0	44065	0	1413240	4899	1922	0	74215	24735	5832	0	0	0	0	0	341024	0	0	0	8624	684	0	0	0	0	0	130286	6080	25634	27759	34440	330	5157	1485	3283	90791	0	0	108839	20745	4766	291809	15017	18271	11824	0	668861	451562	726816	0	0	0	0	0	564	0	0	0	0	0	0	0	3989	36642	5103	21182	0	0	0	0	0	0	0	0	23709	23226	2077	0	8312	0	0	57003	3734	0	5425	0	1119	1696	Peptide	0.16666667	1.8333334	0.16666667
12	C24 H22 O16	567.0981	567.0991	0.20564142	567.0982	3554	2767	3126	4307	10458	2544	0	0	13829	4528	3339	0	11830	0	938	0	0	6220	9161	0	2509	8500	2398	0	0	0	0	0	0	0	0	0	0	0	4047	0	0	1523	0	1377	4963	1536	0	0	0	4985	15114	0	0	0	3169	2759	6490	0	10462	10326	3175	0	0	0	0	0	25129	10431	2437	10666	1195	0	0	0	0	0	0	0	0	0	0	0	3959	0	3276	4850	0	0	14332	2992	1413	0	2235	4589	0	2340	0	10490	4700	0	4505	0	9304	16290	15406	0	1411	0	0	0	11544	0	0	13557	Phytochemical	0.6666667	0.9166667	0.0
14	C24 H22 O16	567.0981	567.0991	0.32647327	567.09827	20796	15552	21057	14853	43743	14100	0	0	50304	11796	5784	5691	100869	10860	3108	0	0	35298	37608	7485	12941	39648	14370	0	0	0	3501	0	0	0	0	0	5316	0	20139	0	0	6306	4494	4808	13260	6552	0	0	0	19803	63198	0	4683	0	14592	26616	14337	0	33321	58093	19986	9564	0	0	0	0	117338	52107	13473	68495	11340	4026	0	0	0	0	0	0	0	0	0	3717	19584	0	11688	30234	0	0	68187	29694	10218	9384	14541	0	0	0	0	68790	31406	0	25971	11238	50013	97985	81078	0	6669	0	49776	7659	41214	0	0	88506	Phytochemical	0.6666667	0.9166667	0.0
16	C24 H22 O16	567.0981	567.0991	0.24803695	567.0982	10978	5798	10426	6258	20246	8838	0	0	25264	2792	4923	2021	49722	4101	3555	0	0	13600	15788	2698	6268	26052	4287	0	0	0	1572	0	0	0	0	0	2053	0	6089	0	0	2958	1487	1914	5930	2587	269	0	0	10116	26103	0	0	0	8297	7322	9115	0	21682	23178	10268	0	2045	1366	0	3900	37644	17513	6493	22777	3818	1506	0	0	1677	0	0	0	0	0	0	1654	7400	9604	7273	12846	0	0	20429	10855	3477	3849	5350	0	0	2457	0	23351	11647	0	8495	4518	18385	27683	24108	1578	2049	0	16196	0	19104	0	1285	36018	Phytochemical	0.6666667	0.9166667	0.0
14	C25 H26 O15	567.13446	567.13544	0.22449097	567.1346	26009	29767	23164	32720	31967	24976	10408	9472	46032	38772	23363	10492	59262	11077	13583	11387	5247	38226	34683	27044	42269	63880	16776	12132	3580	3423	8999	0	4121	6219	7653	12345	12719	7480	49630	10865	12931	17734	7018	22055	28134	12297	0	0	0	68495	111377	0	7760	8938	18684	25081	22464	0	45260	26801	14222	11712	7917	0	0	20741	62561	38422	14386	38116	15780	9688	0	9398	7339	10746	5739	4527	5494	8221	0	8560	19683	44332	18980	59643	5262	9657	34557	17510	20870	7870	15700	8093	8281	8449	13162	69755	56540	0	26676	26596	28014	34928	33481	10928	10301	12572	98272	12666	27961	0	6376	52141	Phytochemical	0.6	1.04	0.0
12	C25 H26 O15	567.13446	567.13544	0.18895164	567.1346	31966	33860	34834	34578	28930	17304	6848	7460	51640	47132	33806	12016	56026	10664	13604	12628	0	44024	44258	20730	42256	73556	21216	8886	3384	4978	11754	0	7276	6798	10474	5336	15774	11464	88110	8216	13846	14342	12496	18982	44124	12826	0	0	0	54926	131938	0	11848	9486	31028	30030	22090	0	39100	40532	14330	11944	0	0	0	14568	81396	34866	13680	42178	13452	16300	0	6568	14318	7664	6488	5880	10566	9138	0	9759	27368	39716	20368	55514	5018	8076	40872	16588	19650	10390	11450	12822	5642	12732	18446	75580	69064	0	37048	22578	39776	41976	44510	8348	10720	8408	84704	14092	31784	0	9050	75396	Phytochemical	0.6	1.04	0.0
18	C24 H26 O14 N2	567.1457	567.1465	0.1079627	567.14575	6331	4567	3461	5319	6526	3641	1425	3399	7984	6216	0	2617	8967	1762	1766	1890	1881	11010	4147	7665	0	17841	3312	2612	0	1695	2430	2297	4057	5223	1691	3211	1866	4707	8828	2021	4375	2001	0	8656	4693	3650	0	0	0	19938	21923	0	3140	2194	4373	5927	3586	0	8057	4129	1507	2927	4214	2324	0	7871	12722	6645	0	0	1972	0	0	2061	2454	3341	2703	1812	2814	0	0	3938	2509	9985	4658	11627	1625	4809	9759	3674	3234	2261	2796	4090	2799	5114	6601	10372	11046	0	3694	5024	3821	3937	3937	2142	1846	2119	24065	1786	5297	0	2166	6840	Phytochemical	0.5833333	1.0833334	0.083333336
14	C24 H26 O14 N2	567.1457	567.14667	0.20322175	567.1458	24758	16816	18370	20794	14844	5386	6980	12324	33245	34544	17227	9458	50092	0	9928	12406	11636	24500	22494	19084	38344	57694	19288	9854	6159	8300	7952	0	12210	16082	11176	0	16372	7608	60877	11670	14340	8462	10688	30291	32592	13900	0	0	0	67376	95826	0	12884	14226	17940	10126	19604	0	36978	16369	9444	10038	0	0	0	36838	38296	31648	6808	24178	16374	14578	0	12853	12203	14350	7024	12760	8426	10902	0	17961	19418	0	12456	38200	10247	8629	21700	10910	13168	16720	14920	22202	0	15436	30295	64260	38396	0	22526	24184	14037	20492	19464	15168	14918	15276	64932	9418	19678	0	8568	50904	Phytochemical	0.5833333	1.0833334	0.083333336
16	C24 H26 O14 N2	567.1457	567.1466	0.17507903	567.14575	102438	85116	90206	80679	109118	65272	28235	32315	155295	134968	56193	32854	228324	42596	49916	36297	18962	132233	152835	113041	116327	248227	57708	37235	31368	29972	22411	27799	30268	16169	37847	32938	55109	38082	204298	29150	52291	43554	21335	160512	83336	37767	1544	0	0	243729	319462	0	44373	37456	107263	80437	73298	0	155862	102988	50524	37685	45949	25773	21048	77218	267837	143864	44782	134962	61006	24585	31621	56387	50242	34588	25537	36970	14858	24363	0	38076	78881	157221	49805	225566	26340	36827	133260	49154	58913	37749	51626	0	33455	66205	0	184651	185816	0	94060	86125	103311	98840	100844	49845	37894	43395	257756	30904	89068	0	36053	186803	Phytochemical	0.5833333	1.0833334	0.083333336
10	C24 H26 O14 N2	567.1457	567.1467	0.24784188	567.1458	5567	6364	6534	5689	4270	1132	1960	3182	7871	5823	5732	3875	13697	0	3708	2391	4941	6231	8483	4748	11152	16480	5114	4093	0	0	1524	0	2107	2396	2223	3996	3224	2549	9715	4899	1831	2607	5301	6010	12087	2873	0	0	0	16119	29087	0	2891	4015	6348	7943	3622	0	11906	6520	4229	4100	4294	5023	0	5666	16109	7498	2549	7182	4740	7044	0	0	2894	2861	0	3709	2454	3435	0	2483	3526	5741	2642	10437	1839	1789	7178	3019	3492	3161	2217	5619	0	0	6028	10800	9243	0	5341	6100	3164	7054	7920	5369	2482	0	0	4536	5033	0	1809	12308	Phytochemical	0.5833333	1.0833334	0.083333336
12	C24 H26 O14 N2	567.1457	567.1467	0.30158898	567.1459	8825	5285	8938	8089	9446	3759	3810	3994	10252	7773	7707	6573	16832	4405	5018	4294	6850	11052	10560	10122	14492	30506	4611	8314	2894	0	2497	0	1868	3100	3797	4623	6315	7326	14376	4097	6623	3233	7835	12951	16011	5516	0	0	0	27527	56409	0	6294	4504	6351	10003	7375	0	18859	7586	3875	6784	0	10895	0	9495	18549	13838	2725	12549	5999	11084	0	2187	2444	6081	5641	3682	4769	3000	0	6112	10543	0	6245	20538	1407	5275	6134	4119	6912	3315	4489	11007	2936	9024	9133	25017	12582	0	8808	10439	9097	9013	9466	6214	5165	3424	25997	6989	7288	0	3130	19049	Phytochemical	0.5833333	1.0833334	0.083333336
12	C21 H30 O14 N2 S1	567.14905	567.1506	0.69449633	567.1495	8825	5285	8938	8089	9446	3759	3810	3994	10252	11472	7707	6573	16832	4405	5018	4294	6850	11052	10560	10122	14492	30506	4611	8314	2894	1537	2497	0	1868	3100	3797	4623	6315	7326	18460	4097	6623	3233	7835	12951	16011	5516	0	0	0	27527	56409	0	6294	4504	6351	10003	7375	0	18859	8818	3875	6784	0	10895	0	9495	18549	13838	3428	12549	5999	11084	0	3824	5711	6081	5641	3682	4769	3000	0	6112	10543	0	6245	20538	1407	6596	6134	4119	6912	3315	4489	11007	2936	9024	9133	25017	15246	0	8808	10439	9097	10634	9466	6214	5165	3424	25997	6989	7288	0	4186	19049	Organosulfur	0.6666667	1.4285715	0.0952381
14	C26 H30 O14	567.17084	567.1718	0.15573448	567.1709	48030	49575	46066	39129	28709	25243	27224	31392	40883	106785	53509	20800	49322	16163	26637	38391	23990	42744	37003	75323	68536	94394	33556	36083	18820	15099	20632	33595	24321	31116	29755	50207	35671	27534	125758	30300	32595	26536	23195	107160	58345	18650	0	0	0	185904	141268	0	35034	32261	40019	45308	22258	0	46565	19823	18123	39595	34320	18093	37175	41736	53603	39445	16770	40013	26154	23714	14194	34803	30050	32398	25975	32175	21846	30655	0	26193	38061	37602	28424	179320	24802	33268	35733	25831	35773	18704	21533	20622	24040	37308	32937	69707	72001	0	53038	33035	36105	36862	26725	25384	22411	45950	102710	24424	26264	0	21444	49684	Phytochemical	0.53846157	1.1538461	0.0
16	C26 H30 O14	567.17084	567.17175	0.1396891	567.1709	76757	74977	60572	65798	53053	41404	43374	45470	68765	299854	64926	29398	90026	20319	47585	38731	23892	87663	75829	126432	105344	136357	48911	51593	35101	29497	22059	36780	41858	44159	45594	44363	57955	46931	185167	38563	49764	42632	29220	84669	58531	28852	887	0	0	321114	154717	0	49538	45507	65055	57420	42096	0	74916	44196	29322	63782	54884	25387	61127	64814	90982	65075	23645	57988	38290	30033	64740	61569	49445	52406	39961	43076	22977	45121	0	38747	52036	79520	43600	127331	36831	57259	52000	31886	36797	28243	31996	0	38313	52273	50825	94340	122194	0	64379	65302	52956	45679	48395	45247	34607	50279	131027	40880	41859	0	33602	86948	Phytochemical	0.53846157	1.1538461	0.0
18	C26 H30 O14	567.17084	567.1717	0.14981489	567.1709	73321	60596	58747	64296	56423	37998	31770	53726	147482	145659	43263	23957	104063	24457	43347	35474	17951	80200	74347	129950	97236	119042	48570	42476	43474	41877	20974	38970	47011	33929	45210	51519	52086	49136	157223	33082	47166	39340	22120	91539	48218	25931	1175	0	0	200117	270382	0	41292	32173	69574	68646	45342	0	93454	48899	29030	42791	51199	15588	38177	64914	116000	70705	23821	79433	39106	20909	28879	60780	51065	44184	41997	43441	24189	38145	0	37175	45657	49627	39535	142080	33632	54803	47654	38206	39345	22484	29766	21011	36121	65976	41168	74781	112139	0	62352	53922	55816	35460	40812	46267	29091	42658	140643	35313	42479	0	24343	99717	Phytochemical	0.53846157	1.1538461	0.0
14	C25 H30 O13 N2	567.18207	567.1829	0.053525917	567.18207	54232	82351	22183	55942	26973	26682	17811	101954	71363	121579	122143	32336	117037	14049	46916	23237	14485	57803	104453	185794	173005	102465	47516	59533	47169	33681	21241	11820	51864	76406	63531	27964	99559	37498	243467	49666	63124	43581	40243	183855	69622	23732	0	0	0	203990	155745	0	54276	57898	47608	42721	31579	0	90795	28932	21755	62545	44791	13432	22557	55380	120145	48515	19765	38809	32754	37312	0	56357	80807	44575	43774	59926	31978	51766	0	59145	45476	17728	61521	121711	48031	97333	85075	32635	57463	33212	35217	25894	42864	59217	77620	61366	132690	0	146306	55247	32933	27318	26507	75473	29574	144979	41789	50670	45793	0	60252	32016	Phytochemical	0.52	1.2	0.08
12	C25 H30 O13 N2	567.18207	567.18304	0.11083926	567.1821	90255	98689	75306	56582	51627	35334	61952	70684	63153	135227	86503	40225	59248	21989	55572	52133	55317	63507	79885	114338	111068	182039	64414	63760	31079	20635	47589	42084	64286	44542	71621	54479	74727	58476	189271	65548	60756	51964	63937	116647	116908	33586	0	0	0	160012	246355	0	57012	71093	85164	70850	41931	0	71273	35118	30642	66564	60982	50227	20720	78124	86202	60659	26271	52037	39162	65838	0	53758	104592	60437	51354	52459	39522	61194	0	46801	63919	21681	65620	126654	55253	53707	60135	33681	56381	24531	36570	58658	43375	55086	80674	117182	112775	0	76250	73910	55150	53283	55815	53661	44903	62634	130242	50201	47270	0	47059	67043	Phytochemical	0.52	1.2	0.08
16	C25 H30 O13 N2	567.18207	567.1829	0.04828719	567.18207	21385	16819	18813	24183	9166	13334	14102	25203	17034	27861	10931	11440	23855	4329	24313	18058	7776	22106	21543	29475	21665	47154	20413	20220	18803	0	13547	4269	20076	16889	26182	21574	34968	19932	48108	19308	28041	19084	8622	32683	17278	12708	0	0	0	47062	24115	0	21361	21268	24834	17605	12801	0	29807	10966	7263	17463	30411	8226	28048	27692	24460	18078	7971	21621	12063	9229	0	9320	6204	21639	19185	24789	12468	21454	0	20060	18518	15563	12015	25690	14592	14120	13190	10498	17334	10759	14175	0	20837	29450	39842	19298	34129	0	18897	25794	7146	8403	8099	22664	9583	21745	41164	31854	8207	0	18973	31739	Phytochemical	0.52	1.2	0.08
22	C30 H30 O11	567.1861	567.1868	-0.039917372	567.18604	33426	33993	24737	28684	37598	20647	8068	9038	47541	104175	72449	5689	43796	31994	11510	12495	6988	42331	41972	78909	73257	37383	18865	11683	8963	106897	6819	57866	7958	5217	9353	8875	14688	7597	131549	6621	13283	11163	9549	48983	44342	11156	0	0	0	40767	36927	0	11010	6924	36119	33499	26226	0	42745	40183	15006	9614	11700	7417	12050	35779	53800	25160	13558	36394	18508	8238	87392	124893	144830	8235	4813	3055	5306	10189	0	8709	28811	27185	21208	24383	9368	40695	47612	28620	22218	13160	15614	11050	17016	13669	17686	39441	51905	0	30128	26450	32387	37202	36161	10669	5443	11444	26131	10926	31058	0	12117	48306	Phytochemical	0.36666667	1.0	0.0
26	C30 H30 O11	567.1861	567.1868	0.001391498	567.1861	10675	9413	10874	8487	15646	6912	0	0	20619	32154	15343	0	27114	6702	0	0	0	17076	20691	24083	24468	13003	0	6079	0	35138	0	14221	0	0	0	0	2224	0	40073	0	4429	4017	0	12556	14013	0	0	0	0	15596	13131	0	0	0	8495	9561	7024	0	17162	19684	4884	3619	0	0	0	9473	26115	13511	4918	16783	5129	0	32372	45351	47542	0	0	0	0	0	0	0	13275	7751	10650	7812	0	12458	25907	10288	7053	4547	0	4031	3471	5059	0	12110	20266	0	7238	7621	14964	18259	15558	0	0	0	0	0	14717	0	0	22704	Phytochemical	0.36666667	1.0	0.0
24	C30 H30 O11	567.1861	567.18677	-0.038293716	567.1861	25801	21712	15803	18642	24122	10765	2668	4513	32265	69501	46288	4496	38043	14504	6319	7783	4541	30348	24991	49124	45120	22508	9885	7897	5366	65124	2601	38138	3014	2436	5205	4038	4488	2830	90995	2376	6015	6529	5335	34207	28365	5042	1940	0	0	26740	24970	0	6092	0	17115	20560	17026	0	26015	26345	10668	5192	7676	3542	5158	24140	36223	21538	10744	27904	11305	3667	61205	91436	80874	2770	2305	0	2538	3192	0	5785	18507	13191	14751	17608	4371	26893	36054	17483	16258	7763	10311	4890	8700	10301	7692	22769	29514	0	21583	17891	24975	35963	29855	5023	3190	7829	15416	4428	23242	0	6296	34100	Phytochemical	0.36666667	1.0	0.0
28	C30 H30 O11	567.1861	567.18677	0.045799814	567.1861	3704	4245	4080	4212	6893	2575	0	0	8415	16357	6540	1130	11783	3201	0	0	0	6720	8532	10159	9141	4667	3542	0	0	15838	0	5639	0	0	1465	1349	2369	0	18526	0	0	2272	1339	5782	7506	0	0	0	0	5896	4693	0	0	0	5252	4867	4466	0	7517	6917	2348	1586	1581	0	2514	3510	10948	5850	2781	8427	2216	1313	14682	19302	29779	0	0	0	0	0	0	2513	7596	6188	4117	2857	0	6285	9712	3575	4376	2247	2529	1375	2176	3290	2228	5571	9517	0	4968	3614	6487	12181	11003	0	0	0	0	0	5047	0	1373	9574	Phytochemical	0.36666667	1.0	0.0
16	C30 H30 O11	567.1861	567.1869	-0.12685487	567.18604	5500	5526	9293	5167	6926	2041	0	0	4528	20096	12121	3262	7157	4359	0	0	1918	0	5478	8759	15116	9087	0	10124	3288	23514	3484	7856	0	0	0	0	4266	0	24439	0	4239	0	3627	6338	6566	2441	0	0	0	0	5479	0	0	4448	7200	7042	2335	0	7098	5910	2973	0	0	0	0	5771	10230	5367	2534	5413	4465	0	16582	19610	27710	0	0	3313	2837	3945	0	0	7148	6499	4407	4294	0	8560	6667	3589	5188	0	5484	0	6989	0	0	8827	0	0	5368	7463	6247	7739	6265	3808	2730	0	0	0	8023	0	0	0	Phytochemical	0.36666667	1.0	0.0
22	C27 H34 O11 S1	567.18945	567.19055	0.39917874	567.1897	9448	8702	9962	10305	7076	5596	0	10210	8083	18209	0	4683	14222	0	13658	4924	2845	13122	22254	48812	47636	33728	6252	5558	5613	0	8398	14376	4777	3577	3393	6310	5666	4985	54160	4436	4475	4830	3811	32308	0	3983	0	0	0	49438	16043	0	6171	4715	18502	0	4734	0	6296	5901	0	15464	18694	4424	5845	12475	6046	13596	4150	0	7397	13522	0	18247	9495	5267	4175	3725	7854	2888	0	3350	0	0	0	26472	5961	18770	6084	11810	6720	3727	6487	7847	26106	37936	12268	29932	44004	0	22124	9644	6073	0	0	15246	3037	18576	33220	5162	11114	0	10416	9058	Organosulfur	0.4074074	1.2592592	0.0
12	C24 H30 O12 N4	567.1933	567.19415	-0.020989211	567.1933	9907	7556	0	3145	5985	3012	4475	12246	2266	32872	0	8142	7859	2912	5176	8964	6730	8964	8484	19074	20404	0	8285	5169	2346	3222	0	0	10493	8056	8099	13010	14130	7072	15400	9494	6550	4660	3226	9804	10836	3766	0	0	0	33088	13284	0	3294	12783	0	0	4332	0	15298	2416	4932	8798	0	0	0	8302	9416	2285	3959	7583	5608	0	0	0	13382	8274	2883	6503	5826	12067	0	7745	9316	0	9556	5100	4348	8312	0	5831	11238	2412	8339	0	9011	10132	7527	8826	13896	0	0	9896	0	7212	7174	8453	7496	0	0	4291	1001	0	5724	6884	Peptide	0.5	1.25	0.16666667
20	C27 H34 O13	567.2072	567.208	0.049040366	567.2073	101582	102187	84716	79966	58259	65557	45317	93080	90039	219168	74589	42318	118135	40782	75473	59760	29623	105933	116218	175920	156796	130942	68643	88960	76966	56509	39644	50095	74859	62613	80201	73299	83760	71341	236569	80382	87951	55952	35667	132043	47608	41366	1723	0	0	178480	77813	0	73931	68388	91736	90761	61578	369	134054	63133	37532	75313	105014	23656	72681	81790	120162	88817	39900	75773	68577	36544	47762	121790	70807	81782	73482	80093	38944	65867	0	66031	69472	39141	54952	93318	54404	93276	64472	46529	56923	38853	47153	30455	68813	93845	105964	56066	94097	0	96336	97252	67218	47873	44145	69534	38821	86412	112601	64176	53655	0	52282	129644	Phytochemical	0.4814815	1.2592592	0.0
14	C26 H34 O12 N2	567.21844	567.21924	0.16556443	567.21857	24021	21403	22810	21390	5677	6997	14467	29025	13777	40089	10348	9250	10310	3368	22511	24520	11625	13233	20214	31722	23285	53990	19222	26398	25217	3115	14048	8597	29461	18777	20147	29134	30247	20169	43755	23861	31418	16265	17036	27984	12959	8035	0	0	0	27469	8470	0	21037	22996	17921	16990	9514	0	15899	7455	5473	28901	33547	9757	21538	22666	8140	9824	6046	14067	10896	10351	0	10554	4163	22576	20656	24493	8524	20259	0	17532	15575	0	15194	15672	21574	13730	8098	8932	18651	7454	12012	27094	31836	28111	43594	12289	21559	0	19577	17959	6921	4887	3488	29470	13839	33241	17568	22468	7229	0	17223	12500	Phytochemical	0.46153846	1.3076923	0.07692308
26	C31 H34 O10	567.2225	567.2232	-0.054388188	567.2225	15604	18640	19561	13963	21854	13352	0	0	27235	37549	35173	7043	41237	15040	9472	9203	0	20295	26352	37637	36333	16253	14229	9565	0	67078	3003	32026	0	0	10323	0	8507	5712	41435	0	8913	8167	5219	28579	30812	0	0	0	0	17710	18345	0	5185	8433	18307	17858	16670	0	31753	30369	8815	9841	8314	0	10671	19708	35205	20000	9525	23034	12925	5724	73334	74053	91387	6600	0	0	0	5010	0	0	18614	14217	17294	14753	7921	24371	31791	15461	16096	10270	10510	10843	8847	8600	16444	14286	17887	0	19330	14727	20824	30172	34495	10946	0	11937	0	7812	23497	0	7993	26081	Phytochemical	0.32258064	1.0967742	0.0
28	C31 H34 O10	567.2225	567.2231	-0.059379544	567.2224	6444	5453	5700	3398	6432	3339	1827	0	10651	13183	9297	2157	13641	4534	0	4254	0	6660	7291	12260	12874	4453	3532	3496	0	24123	3315	10009	0	0	2453	1963	3737	2116	13943	0	2986	0	2345	8735	9257	0	0	0	0	5750	5842	0	2936	0	5958	4822	5522	0	7706	8329	3007	2550	1552	0	4322	4666	10469	6355	2003	10880	3961	0	25700	25518	37233	1945	1606	0	0	1293	0	1718	7745	6371	3775	3879	2589	6894	14891	5437	5287	0	2910	3590	3724	2842	0	6013	7105	0	6569	4449	5805	14559	12169	0	0	4407	0	0	8035	0	2990	8303	Phytochemical	0.32258064	1.0967742	0.0
24	C28 H38 O10 S1	567.2258	567.22687	0.37488976	567.2261	44933	52615	42629	53428	45776	33675	12629	25363	57926	130711	75098	11875	74822	32696	20564	38704	13393	53812	68816	115736	109480	59503	26734	44424	26107	158152	13782	78217	37429	15103	24878	19225	41364	17837	146338	23001	41663	18031	19228	84139	69868	24190	0	0	0	62426	51068	0	24553	12304	46960	38587	35072	0	73219	47266	22095	35843	34411	22101	27519	63594	65406	48245	18618	56213	32176	11632	118007	194474	182564	24725	20902	14572	16155	20556	0	15730	53660	31857	33987	40275	28039	60973	62311	28768	46425	18627	27563	27074	65232	50942	39001	51182	61268	0	45734	50495	44223	53482	55841	27719	13662	40751	32890	32966	49515	0	28151	60664	Organosulfur	0.35714287	1.3571428	0.0
8	C25 H34 O11 N4	567.2297	567.23083	0.41640556	567.2299	1956	4207	0	2823	1228	1015	2070	4041	943	0	0	1214	1385	0	2310	3284	2865	893	1886	0	2080	3465	2337	3842	2576	520	1651	0	4087	2046	3545	4716	3424	2955	2023	3068	3251	1835	2730	0	1628	1076	0	0	0	0	1570	0	3679	2439	2740	2362	1177	0	1657	0	885	4671	3095	1063	0	0	0	1085	0	2057	0	3080	0	0	0	3973	2445	3009	2035	1979	0	2165	2139	0	2102	950	1419	0	0	0	2220	1446	1742	5946	51906	15686	6583	0	1748	0	2453	3484	0	0	0	4213	0	4560	0	4785	0	0	1908	2936	Peptide	0.44	1.36	0.16
10	C25 H34 O11 N4	567.2297	567.2306	0.26493967	567.22986	3241	3388	3772	3373	0	2467	2731	4362	0	0	0	2122	1449	0	2948	3933	2179	1549	3062	0	1169	5489	3177	5052	3973	0	0	0	4406	3764	2348	3847	3863	3101	6141	3975	5606	1780	1321	0	1392	996	0	0	0	0	0	0	3671	1887	3260	3364	1163	0	1675	0	1205	3803	0	0	0	0	1311	1474	1064	0	1856	2165	0	0	3467	3314	3903	2420	2003	3169	0	1706	3084	0	1522	0	1815	0	1058	0	4024	0	0	3468	131349	39197	6668	1080	3246	0	2903	2971	0	0	967	2827	2392	0	0	2792	701	0	3028	0	Peptide	0.44	1.36	0.16
12	C30 H34 O9 N2	567.2337	567.2348	0.18160082	567.2338	10113	4158	9813	8610	11769	3663	0	4042	6059	14517	0	4518	3342	2661	8232	8235	2507	0	9579	13531	16938	0	8840	0	8904	11789	0	0	11570	8724	6726	3960	11409	10467	20583	2761	4726	3050	8949	17497	0	0	0	0	0	0	17946	0	12587	8500	11382	8676	3663	0	8846	0	0	12907	14463	0	0	7377	4299	6095	4515	1378	9546	0	0	2811	9608	11016	9321	3121	5628	5531	0	5725	8852	0	6792	6426	6996	12824	0	5778	2615	0	4424	0	83113	52422	7808	0	8883	0	24307	0	0	5921	0	1591	8970	11310	0	12160	3432	0	13045	3279	Phytochemical	0.3	1.1333333	0.06666667
24	C28 H38 O12	567.2436	567.2444	0.06990041	567.24365	27583	29001	25530	28919	22219	23989	15344	28952	33218	69732	17617	12062	46143	11651	29531	18554	9133	41856	40886	55965	47994	37529	24897	27312	27153	18977	9514	18854	28742	22112	23318	23640	26499	21395	87208	24507	42008	21886	11941	30882	13744	11600	0	0	0	34578	11864	0	25659	19135	27941	23992	20133	0	40043	23839	11736	23869	30932	7174	24877	23865	40967	30592	9041	23313	17960	7458	16991	52364	20633	25790	20654	27945	9544	22098	0	22684	21174	8483	21930	16583	15782	18276	19974	14630	23612	9510	15967	8755	28803	34934	35745	13027	27811	0	27743	25428	15677	13967	15523	25056	13495	28825	17640	23141	12331	0	17370	40829	Lipid	0.42857143	1.3571428	0.0
16	C28 H38 O12	567.2436	567.2445	0.12720631	567.24365	43334	34013	39369	42301	17423	15809	35551	45333	27560	56108	39662	29016	24661	12174	36787	47821	37129	34177	36799	58030	42843	38010	35445	49176	34000	25891	32987	32563	44755	42713	44368	47855	52055	34212	56869	48060	52998	41352	46874	33859	35692	16256	495	0	0	33661	32740	0	53135	35944	41639	36647	18968	0	41257	22339	19485	45027	40021	25458	50074	23894	35097	29708	16643	26595	20657	44617	20212	37878	35333	39563	38930	46840	38148	46235	0	33167	50904	22139	37395	24479	36718	25852	26062	16602	39875	17875	25206	54791	44094	39324	48765	22971	29928	0	43529	43746	19074	26075	23027	50860	33416	47506	23262	49551	22961	0	38393	31897	Lipid	0.42857143	1.3571428	0.0
18	C27 H38 O11 N2	567.2548	567.2558	0.27522296	567.255	9687	4002	4680	5340	2877	3110	5399	12883	4197	5436	2187	5806	1398	972	6462	10853	5731	0	5936	4470	3509	7921	7868	12952	13400	0	0	3393	7911	7192	8572	13322	12875	8232	4367	9429	8016	5096	4395	9623	3128	5545	0	0	0	4594	3306	0	13132	6155	6353	8247	3109	0	7731	2470	2323	13589	13645	2439	8951	5226	4343	5236	2377	1533	6492	5946	0	0	0	9012	9213	11616	2940	8904	0	9175	6163	0	3579	1816	7497	2942	1479	2668	4633	3588	7058	7960	12622	18274	22961	3101	3609	0	6608	6900	1622	0	1492	7479	5057	7541	3897	10199	2372	0	5236	5189	Lipid	0.4074074	1.4074074	0.074074075
18	C32 H38 O9	567.25885	567.2596	-0.09512607	567.2588	11372	11233	7687	13290	5477	2303	11472	12527	4756	8715	11826	10021	2262	5395	9128	15732	13927	3110	10428	16861	7648	5684	8981	11541	9303	26059	13242	10685	0	6959	10404	10104	12424	0	7781	12954	9150	9267	22436	8455	17708	3887	0	0	0	9829	6373	0	11785	11553	9177	11183	8405	0	11590	7623	3818	13129	5745	11255	12794	8216	7609	5904	6594	0	4425	21510	11876	16401	28055	5512	8539	10894	10041	8491	0	6371	16736	5707	13516	8341	8977	9258	9269	7012	16915	4674	7648	15632	9707	8327	15458	6030	11409	0	11942	8251	7729	9879	8798	11257	5773	11884	5771	10067	6348	0	11934	3201	Phytochemical	0.28125	1.1875	0.0
28	C32 H38 O9	567.25885	567.2595	-0.04876976	567.25885	7281	7771	6676	6296	9597	3260	4357	0	8914	10026	11229	1958	13695	5034	0	4930	0	5042	9418	9618	11158	7598	7873	5820	4029	37861	3584	10321	4600	4366	3848	4318	6421	3044	15366	4209	6389	3800	3726	10966	13008	4062	0	0	0	6368	5741	0	5469	4711	6909	7953	5309	0	9787	12844	5082	6699	4575	2836	5258	7883	8046	7035	2919	9904	5589	3512	32053	25673	38989	3610	2524	0	0	3849	0	2418	13359	6935	6363	3019	2843	10412	12696	7019	10388	3864	3742	6960	5704	6440	6641	6480	4518	0	7638	5914	5928	18247	21323	6601	2087	4922	0	4552	8093	0	3023	7979	Phytochemical	0.28125	1.1875	0.0
8	C26 H38 O10 N4	567.26605	567.2669	0.38244015	567.2663	2058	2650	2153	2580	0	1963	774	952	0	959	0	0	0	0	678	1176	1151	0	0	859	1023	3066	0	933	1522	0	0	4539	1328	923	969	1211	2314	1438	0	0	2581	0	0	0	0	0	0	0	0	0	0	0	1807	1046	1357	2535	0	0	0	0	523	2331	0	0	0	0	0	0	0	0	636	0	0	0	0	1033	0	1373	0	1170	0	854	0	2757	0	0	0	0	0	0	942	0	1270	0	187498	99290	3943	1568	1495	0	2149	2199	0	598	0	1684	0	0	0	1629	0	0	860	0	Peptide	0.3846154	1.4615384	0.15384616
10	C26 H38 O10 N4	567.26605	567.26685	0.4382062	567.2663	6506	5494	3962	5910	0	0	0	1524	0	1606	0	0	0	0	1092	0	0	0	0	0	0	0	0	1778	1855	0	0	5637	1194	0	1623	0	1403	1866	0	1784	1261	0	0	0	0	0	0	0	0	0	0	0	0	0	4765	3796	0	0	0	0	0	0	0	0	0	0	0	912	0	0	0	0	0	0	0	1346	1602	1754	0	1210	0	0	0	12099	0	0	0	0	0	0	886	0	0	1293	582809	261163	2302	1929	3322	0	4095	5967	0	0	1081	1986	1694	0	0	2215	0	0	0	0	Peptide	0.3846154	1.4615384	0.15384616
26	C29 H42 O11	567.27997	567.2807	0.024559805	567.28	9542	8311	8301	6133	7968	6229	5675	17881	11527	17898	6870	4148	14930	5607	11460	9039	0	16586	20918	17374	11858	10013	10038	11564	13033	9457	3943	7123	15441	10265	10138	11003	13881	11633	28537	10328	23004	7250	5968	10939	4385	0	0	0	0	10144	0	0	12208	9773	10611	12323	10105	0	17923	9072	4269	10894	14063	0	10401	5885	14955	12470	3826	11033	5647	4563	0	14363	6025	13001	9622	13757	0	9675	0	7687	10028	0	7782	3766	8504	4418	5961	0	7771	4055	5788	5727	16773	20169	20338	4544	6536	0	9838	7055	7362	7027	4979	9495	5321	10334	0	7445	7301	0	5610	15464	Lipid	0.37931034	1.4482758	0.0
18	C29 H42 O11	567.27997	567.2808	0.07516041	567.28	21201	18870	20370	22382	11678	8429	24957	25599	15942	14969	12969	18175	16279	7299	25770	36300	28208	14769	18563	21309	21439	17698	20453	28954	25132	7798	23789	9834	33415	26069	24770	24478	27199	27995	22518	33985	23218	19660	25016	12671	9681	10733	550	0	0	11618	10281	0	28320	22050	22980	19986	9132	0	26213	19667	8222	28317	19568	16404	21135	8805	11249	17475	9900	14774	11426	33983	12324	11831	11299	15697	18937	26320	27802	26977	0	16264	28293	8519	23600	10478	20144	4797	16296	13688	25358	8265	10134	28271	26610	20162	29640	7305	15851	0	19031	20426	12499	15481	20401	28340	17535	24177	4998	20878	11991	0	19722	13716	Lipid	0.37931034	1.4482758	0.0
20	C29 H42 O11	567.27997	567.28076	-0.03365118	567.27997	44440	39520	42060	40958	29065	25112	35489	51543	34577	48760	31222	29010	40560	21347	51074	45101	34202	35866	54792	52745	50771	34995	37811	51409	45066	21711	31589	32342	54942	46349	42942	54104	55180	40779	54722	45091	54506	41314	38060	33971	24275	23988	592	0	0	29135	21459	0	52885	43376	43283	41894	31735	0	60952	33316	21846	55055	44411	24441	51891	25960	40005	41259	20385	38981	26326	35240	17533	39545	19233	33269	44591	55379	45732	46103	0	32450	50681	17038	38076	22548	43246	26613	37990	29519	48237	20979	23259	38482	57845	51694	59198	18504	27609	0	40546	41622	30885	35553	34464	61256	37444	53709	22790	39296	32984	0	37957	44980	Lipid	0.37931034	1.4482758	0.0
20	C33 H42 O8	567.2952	567.29596	-0.06684437	567.2952	11617	14537	7201	10261	4083	3806	11759	10844	5983	3298	8739	7281	4070	8909	11827	17394	17877	2233	7419	7645	11892	9506	6754	9256	6671	18427	11142	10610	10200	12217	6483	10627	11081	5680	6829	13440	9245	11479	22945	5642	15641	5829	0	0	0	4377	6498	0	13958	9868	10230	11057	5391	0	9638	7364	5394	13762	7154	12497	7787	7232	5229	5091	6187	3009	5001	22158	10467	9554	19726	3645	7179	8779	19756	11413	0	7667	16412	2725	10644	5918	11879	9902	13242	5180	15547	5016	6084	20617	12399	6514	17348	6124	3752	0	7735	11120	4912	12655	8333	10653	10037	15534	4150	14720	7414	0	13585	2789	Phytochemical	0.24242423	1.2727273	0.0
28	C33 H42 O8	567.2952	567.29596	-0.036678962	567.2952	8672	9215	8844	9214	9372	3474	7600	10200	9165	8943	12300	4469	14220	7711	8727	11646	7294	6129	12959	14771	13476	7649	9136	9763	12385	35044	5862	18177	11114	13308	10500	7359	11737	8867	12096	10436	12900	7919	7190	11934	13575	7393	0	0	0	6713	4670	0	8056	9057	8487	9427	5694	0	14868	21175	4935	12141	8261	4420	12508	9153	8367	8091	5661	12058	8240	7859	28106	22738	27970	7772	7460	8036	0	6737	0	6529	14022	9593	7957	6144	5981	11833	15353	8864	18176	4486	5187	9108	7662	7904	9817	7362	6440	0	9785	10168	7756	30236	28444	11800	4627	11968	6388	10134	11961	0	6797	7469	Phytochemical	0.24242423	1.2727273	0.0
26	C30 H46 O10	567.31635	567.3171	-0.08301386	567.31635	8762	10453	7856	8789	8667	5700	12972	11624	11272	9747	4683	3241	11287	8448	9468	7380	0	14594	22661	11234	12010	7962	9968	10570	14269	0	12668	8154	19539	17335	12225	18210	19734	9791	20183	12755	23074	8111	4944	10005	3094	6569	0	0	0	9285	0	0	14341	10176	9894	9623	8172	0	19518	7724	4372	13465	12375	0	11885	5569	13412	12427	6081	10296	7103	5550	0	10041	4635	12774	9244	14149	0	9944	0	7360	7540	0	4841	3958	15984	8722	7395	6537	8724	5414	7505	5951	19373	22635	20252	3995	6592	0	10418	9003	6311	5659	8479	14640	6924	15992	8614	8120	8560	0	8043	11578	Lipid	0.33333334	1.5333333	0.0
24	C30 H46 O10	567.31635	567.3171	-0.07553071	567.31635	19840	16309	18397	18725	11409	10000	22025	20274	18380	15910	8034	9513	19808	11661	19817	15540	9878	21106	31000	24153	14972	13723	13091	15576	18180	6351	21680	10607	25032	24249	20618	26992	32748	23019	23590	23570	28426	15577	12066	15634	4233	10759	0	0	0	10793	1730	0	26157	16846	16569	20303	12677	0	36361	16223	8888	21746	22924	5757	21226	8228	18854	21852	10092	16108	15741	12437	3499	10536	4070	21892	22174	25625	10411	20821	0	15023	14325	4895	10721	6075	23339	14847	14418	11476	13245	9207	15533	8211	32099	34307	20446	6604	10813	0	15838	19199	6817	15379	16612	29426	11961	30324	7351	13267	15640	0	15014	16709	Lipid	0.33333334	1.5333333	0.0
24	C34 H46 O7	567.3316	567.33234	-0.053484857	567.3316	20936	17492	19477	14202	10454	4479	17628	14755	12338	8259	14225	13004	11565	13854	13931	27335	39018	7929	13118	16163	15585	10953	16447	20967	16858	25426	15629	20479	15889	20467	14752	19772	19775	10296	9501	22167	23156	17295	43356	13479	20981	7185	0	0	0	7817	9243	0	19181	25723	19031	18870	8352	0	18570	28579	11248	22051	12835	17298	16892	11057	10632	13354	10468	9578	12499	47390	18570	20970	25731	9168	14001	18530	27259	21332	0	14945	28174	15888	19357	8202	15881	16063	21414	14575	32033	10197	13604	37881	19808	18209	19660	10430	10919	0	16929	14735	11607	29282	37335	33583	12361	20917	5911	16981	15421	0	24653	4774	Lipid	0.20588236	1.3529412	0.0
28	C34 H46 O7	567.3316	567.3324	-0.022085685	567.3316	7015	7947	10496	7677	5106	2735	12199	13605	7308	3040	8085	4527	8528	5915	7671	12841	12382	3242	9440	8656	6789	4241	8465	9115	16871	21720	10274	11351	11700	12404	9001	10813	14792	7481	6066	16909	13042	8438	11933	8059	6905	5893	0	0	0	5108	3123	0	9026	12582	10326	7606	5876	0	14490	18819	5765	11659	8391	3921	12277	6450	4925	8901	5625	5802	7735	14385	14881	8482	11739	6448	5995	15877	5775	12255	0	6785	15798	13103	7464	5756	10418	12003	15175	6891	22710	4617	5927	11664	12042	10405	12146	8338	2478	0	7428	6107	6498	33852	36774	17647	6252	10508	4405	12542	12455	0	7387	4217	Lipid	0.20588236	1.3529412	0.0
26	C35 H50 O6	567.36804	567.3685	0.030653361	567.36804	4603	4318	4199	4374	0	0	6934	9014	3172	0	2616	0	0	2064	0	14056	20782	0	0	0	0	2919	0	5495	0	0	6041	3599	0	7564	3544	10031	4209	2676	1613	7573	5231	6668	20694	0	0	0	0	0	0	0	0	0	6082	11338	3372	0	0	0	6114	10037	3329	6887	3418	4215	8710	0	0	0	0	0	2662	19967	0	1734	2548	0	0	9201	9037	6424	0	4912	9226	0	4935	0	5161	2610	6164	0	13958	0	3899	14964	2981	4411	6117	0	0	0	3752	0	3139	14697	14566	8706	4549	0	0	4618	0	0	7368	0	Lipid	0.17142858	1.4285715	0.0
18	C23 H21 O16 N1	568.0933	568.0943	0.18395376	568.09344	2708	4587	4120	4333	10715	3065	0	0	10104	0	2046	0	22804	3802	0	0	1435	9600	13577	2016	3721	13515	3930	0	0	0	0	0	3870	0	0	0	0	0	0	0	0	0	0	1600	6147	2481	281	0	0	7263	29070	403	0	0	6976	3090	5197	0	9003	16048	3501	0	0	1166	0	3085	22994	12701	4387	10948	3302	0	0	1471	0	0	0	0	0	0	0	0	2416	12721	2488	9695	0	0	18187	5550	0	2091	2807	0	0	0	0	18111	4939	0	3213	6099	12997	12809	17615	0	1647	0	18509	0	11825	0	0	18730	Phytochemical	0.6956522	0.9130435	0.04347826
14	C23 H21 O16 N1	568.0933	568.0945	0.3389935	568.0935	0	0	1727	1398	5067	0	0	0	7793	2074	0	0	11741	1660	0	0	0	4893	2826	0	1969	5523	0	0	0	0	0	0	0	0	0	0	0	0	3014	0	0	0	0	1471	0	1562	0	0	0	2009	16575	0	0	0	0	0	2552	0	6364	8018	2049	0	0	0	0	0	20391	6323	2641	8724	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1192	3489	0	0	8255	3033	0	0	0	0	0	0	0	7957	2189	0	1980	0	5883	7183	8047	0	0	0	0	0	7025	0	0	9244	Phytochemical	0.6956522	0.9130435	0.04347826
26	C23 H21 O16 N1	568.0933	568.09436	0.10596843	568.0934	2910	3208	0	4808	6324	3938	0	0	9955	2861	0	0	20938	0	0	0	0	8736	8317	0	6210	11141	0	0	0	0	0	0	0	0	0	0	0	0	3802	0	0	0	0	0	3299	0	0	0	0	8095	28619	0	0	0	4331	3198	5329	0	9072	10124	0	0	0	0	0	4018	16578	8341	0	4677	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13819	0	0	9923	0	0	0	0	0	0	0	0	9215	7372	0	4418	0	7847	6567	4609	0	0	0	17890	0	6453	0	0	17675	Phytochemical	0.6956522	0.9130435	0.04347826
20	C23 H21 O16 N1	568.0933	568.0942	0.1954768	568.09344	0	3816	5151	2801	10825	3324	0	0	9532	2683	1628	0	27865	2578	1617	0	0	12734	8809	0	4910	10403	2516	0	0	0	0	0	0	0	0	0	0	0	2454	0	0	0	0	1753	2879	3723	395	0	0	8268	28291	756	0	0	4749	4726	4295	0	11738	15478	2540	0	0	0	0	3260	17609	10412	3129	8267	2498	0	0	0	0	0	0	0	0	0	0	0	3028	9960	1467	10474	0	0	15383	3966	2147	3221	3955	0	0	0	0	21383	6386	0	2998	6024	9746	15848	12120	0	1138	0	28292	0	13291	0	0	16862	Phytochemical	0.6956522	0.9130435	0.04347826
28	C23 H21 O16 N1	568.0933	568.09424	0.10570235	568.0934	3956	4891	2606	3248	8972	4493	0	0	9611	3315	1922	1116	20112	2188	0	0	0	10327	5738	4042	7071	10169	3547	0	0	0	0	0	0	0	0	0	0	0	6760	0	0	1176	0	1966	4414	0	0	0	0	7955	23846	0	0	0	4248	3336	3782	0	9254	6274	1904	0	0	0	0	4182	15828	6619	1704	7026	1933	967	0	0	0	0	0	0	0	0	0	1122	2305	6607	1497	9254	0	0	10550	2817	0	1099	3074	0	0	1524	0	11741	6870	0	4700	5167	7409	5171	9133	0	0	0	23732	1837	7184	0	0	19171	Phytochemical	0.6956522	0.9130435	0.04347826
16	C23 H21 O16 N1	568.0933	568.0944	0.176562	568.0934	4290	4638	8998	8246	19196	6914	0	0	15516	0	0	0	41728	5398	0	0	0	13158	16052	0	9788	19000	5306	0	0	0	0	0	0	0	0	0	0	0	5841	0	0	0	0	0	6572	3288	0	0	0	7162	45690	0	0	0	0	8082	11264	0	10086	26418	8716	0	0	0	0	4878	39130	16828	5428	15808	4812	0	0	0	0	0	0	0	0	0	0	0	5032	10808	0	16028	0	0	30104	4124	0	6406	3396	0	0	0	0	37028	11174	0	6976	6246	25210	23926	33204	0	0	0	38104	0	22272	0	0	27242	Phytochemical	0.6956522	0.9130435	0.04347826
22	C23 H21 O16 N1	568.0933	568.0943	0.18846907	568.09344	5419	2723	3968	2455	10531	3040	0	0	7711	2158	0	0	21936	4965	1459	2284	0	12607	4932	0	4963	8236	1380	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1579	1147	0	0	0	9777	26003	0	0	0	2881	4012	6455	0	11228	11350	3015	0	0	0	0	5189	13018	10585	0	5340	1355	0	0	0	0	0	0	0	0	0	0	0	1533	9176	2498	10946	0	0	15015	2597	1910	2519	3214	0	0	0	0	14610	10008	0	3785	2421	10830	9818	9739	0	0	2892	21076	1789	10394	0	0	15026	Phytochemical	0.6956522	0.9130435	0.04347826
10	C24 H25 O15 N1	568.1297	568.13086	0.2700925	568.1298	3808	4259	4056	0	7037	2086	919	1640	10053	4383	5070	0	15179	0	1256	3455	2117	10129	9396	5665	9910	10801	3220	1368	0	0	0	0	1561	0	0	0	2715	0	12956	0	2104	1310	2373	2817	6394	2244	0	0	0	6288	27622	0	1141	2150	3917	5722	3739	0	9426	9329	3598	0	0	3296	0	4717	11084	8404	3320	8058	2481	2327	0	0	2240	0	0	1225	1420	1409	0	809	3392	9258	2124	7333	0	0	10487	4111	2857	3871	2279	3038	0	2546	2842	13251	14516	0	5558	5865	8155	11878	13354	0	1880	0	0	1887	6855	0	0	14485	Phytochemical	0.625	1.0416666	0.041666668
14	C24 H25 O15 N1	568.1297	568.1307	0.15186314	568.12976	25998	27862	29132	36290	46282	24970	7960	10982	60934	43156	26118	8684	125934	13818	21326	9800	18572	72460	63830	47342	59424	111614	23558	17180	2982	4728	10008	0	8698	12604	10096	0	15678	10098	50606	9902	9910	17182	13238	31078	62854	24926	0	0	0	106356	231224	0	7186	13014	26304	30928	27838	0	78200	56002	21814	12380	17148	12300	0	52080	110748	62542	19886	55330	22400	9958	0	9000	16478	9578	8570	7280	12954	6786	0	8067	29038	53166	22462	82066	4716	10240	88318	32792	19666	22032	17084	12944	0	12424	15316	121164	98172	0	33468	37446	59100	63570	72078	24466	8760	11712	222654	7306	58212	0	7914	79592	Phytochemical	0.625	1.0416666	0.041666668
16	C24 H25 O15 N1	568.1297	568.1306	0.098972596	568.12976	23181	23648	14940	28069	29898	16828	3445	6833	30640	20745	16200	6872	76443	9501	13403	7659	4637	55681	44393	24534	40233	59974	15162	11338	6073	2646	3481	0	3971	5143	3623	0	8403	5413	33215	7148	8837	10617	7095	21115	25454	16862	1399	0	0	64712	120152	0	7732	7718	25603	15206	23164	0	50442	35824	13817	4452	7125	7528	9224	25589	65008	37628	14123	40112	16176	5824	10529	0	8683	5877	4730	4534	3012	4944	0	6748	14909	47654	11785	61808	3842	6583	57286	19219	10338	13988	16435	0	4213	9794	0	60676	64183	0	22820	21717	39762	34117	37189	8115	6847	9342	105465	0	30935	0	4715	56121	Phytochemical	0.625	1.0416666	0.041666668
26	C24 H25 O15 N1	568.1297	568.1307	0.048228882	568.1297	3331	3378	4611	2353	7400	5406	0	0	7836	8231	0	0	14869	0	0	0	0	14254	10649	11282	10130	10965	0	0	0	0	0	0	0	0	0	0	0	0	9776	0	0	0	0	4034	5133	0	0	0	0	28339	46772	0	0	0	5706	4576	3568	0	9066	7333	0	0	0	0	0	7589	8654	7218	0	4398	3462	0	0	0	4509	0	0	0	0	0	0	0	0	6395	2731	25142	0	0	8031	0	0	0	2710	1805	1703	0	5043	11292	14958	0	4461	0	4496	4963	4669	0	0	0	36714	0	5841	0	0	12710	Phytochemical	0.625	1.0416666	0.041666668
22	C24 H25 O15 N1	568.1297	568.13055	0.10791803	568.12976	22002	36201	17256	30882	38985	27690	6213	5076	55305	39036	10830	5286	95595	0	12792	4542	5223	77538	34437	33210	41667	72219	10128	7716	6324	5130	5286	1653	6240	6528	6252	0	5058	5079	44937	0	7254	8997	4032	28089	22575	11544	0	0	0	132612	494208	0	0	7368	27900	20238	34827	0	64785	42066	10635	7521	16200	8529	7140	41502	79269	44703	18948	30216	10674	4647	14760	9249	12135	4344	0	0	3699	1234	1080	4368	8244	61797	13665	255324	9150	8514	47823	29595	14241	9345	14070	8271	0	0	7413	59679	73197	0	14601	31413	45381	26502	21360	6585	5112	6522	209544	9942	36309	0	4758	71700	Phytochemical	0.625	1.0416666	0.041666668
18	C24 H25 O15 N1	568.1297	568.1306	0.1826583	568.1298	46742	43476	36475	44439	64142	37459	7896	12560	82634	34193	23837	15818	179795	27260	25652	14901	8344	106172	100749	51964	80119	98861	32631	14298	10248	5613	8322	10842	8528	8718	10326	9328	12918	0	82670	8824	17866	20687	7614	44769	49224	37468	1236	0	0	155260	231464	0	11112	6523	36367	49677	35518	0	124482	80477	28582	14466	13009	10944	12060	59207	141835	75392	26872	73525	40258	11264	20102	9336	11853	9470	7652	7578	5190	0	0	13404	29829	91845	28205	160778	5064	14956	99968	52329	26820	25156	29268	7060	6336	31728	15844	108492	106555	0	49065	47982	78294	56974	76470	17722	13480	14781	205056	14992	61718	0	10756	115572	Phytochemical	0.625	1.0416666	0.041666668
28	C24 H25 O15 N1	568.1297	568.1305	0.085920535	568.12976	3897	4217	4354	3590	5857	5055	0	0	6288	8613	2292	0	12473	1445	0	0	0	7382	5114	8458	10312	9466	0	0	0	0	0	0	0	0	0	0	1536	1614	10519	0	1846	0	0	5442	5490	0	0	0	0	26868	40660	0	0	0	4738	2962	3448	0	7196	5075	2307	0	0	0	0	8327	10363	7113	2455	6673	2592	0	0	3705	4163	0	0	0	0	0	0	0	1743	5599	2094	20504	0	3137	6377	3044	0	0	1525	1011	0	2186	2305	10516	10179	0	4445	5496	4849	2738	3608	0	0	0	27554	0	5352	0	0	9744	Phytochemical	0.625	1.0416666	0.041666668
12	C24 H25 O15 N1	568.1297	568.1307	0.26819	568.1298	7320	11473	7685	7611	10655	4402	3602	5070	16642	8392	12024	4358	34326	3201	3334	3917	6777	14775	17341	15678	25878	19872	8757	3446	1081	1923	2635	0	2632	2032	1734	2605	5893	2477	27272	3810	3717	4243	3267	7504	19666	4385	0	0	0	27825	69709	0	3071	2385	10163	6964	8708	0	19803	17998	7226	4798	0	0	0	11780	34424	16320	5799	15438	6755	0	0	5218	7621	3093	0	1167	2260	2274	0	3585	8261	19288	5223	22842	1315	3657	25461	7839	6632	5740	5332	6243	0	4617	4731	33889	22189	0	7072	11543	19937	19637	24097	4725	3149	3776	54591	3969	15903	0	1731	26073	Phytochemical	0.625	1.0416666	0.041666668
24	C24 H25 O15 N1	568.1297	568.1305	0.09430703	568.12976	2474	4120	4242	3378	6430	7306	1574	0	10174	7207	3038	1573	22936	2818	2546	0	1591	10652	8347	7274	11833	10669	5075	2598	0	0	0	2087	0	0	0	0	0	0	6586	1418	0	1560	0	7600	4702	1910	0	0	0	33588	58481	0	1026	0	4552	3355	6823	0	12791	7548	3124	0	2516	1548	0	7678	10362	8319	2151	4866	3282	0	0	1378	3702	0	0	0	1614	1194	0	1702	3478	11074	2110	33095	1209	3902	8371	5258	0	1247	2600	0	2061	2137	2528	12005	14473	0	5651	5412	7036	7521	5393	0	2063	0	46709	2396	7402	0	1001	16957	Phytochemical	0.625	1.0416666	0.041666668
18	C23 H25 O14 N3	568.1409	568.1419	-0.17440936	568.1408	9582	7206	15399	7323	11076	8777	0	0	16476	11493	4233	994	32523	4380	2206	6351	0	14076	7095	6672	7953	32205	4983	2119	0	3759	0	0	0	0	3864	0	0	0	21732	0	1767	7755	0	15231	10260	0	0	0	0	27726	30204	0	0	4617	7155	13995	8844	0	20574	12903	6186	3672	5748	0	5070	9375	24669	14112	8004	14127	8260	0	4782	0	6771	7392	0	0	0	0	0	3708	5739	18969	5655	47568	0	6594	11544	5775	6852	5064	6600	0	0	7818	0	17994	24363	0	8679	0	11532	9486	9006	0	0	4917	33870	0	0	0	4338	24869	Unclassified	0.6086956	1.0869565	0.13043478
16	C23 H25 O14 N3	568.1409	568.14124	-0.40933436	568.1407	10320	11415	15470	16752	12093	8823	0	0	24039	15135	10842	1115	48552	7638	8121	6300	0	26436	15405	12609	7251	30894	10425	0	3999	0	4095	0	8055	6099	0	0	3446	0	17229	0	8072	8715	3885	4496	14355	1369	0	0	0	33768	39465	0	6786	0	8100	16491	11670	0	26583	16470	9621	6768	7050	0	0	8259	30105	22734	6113	14916	10074	5242	0	6228	6198	0	5886	0	0	3879	0	3336	7545	0	7293	48849	1657	4059	9261	9330	2802	7146	7584	0	0	10410	0	40656	20466	0	14673	8520	11568	12783	13347	5517	4095	0	43104	0	13122	0	3687	30987	Unclassified	0.6086956	1.0869565	0.13043478
8	C25 H29 O14 N1	568.1661	568.1673	0.3813534	568.1663	11008	17092	7960	14280	14634	6312	5552	10160	17123	33188	17376	9520	28392	0	9230	10253	15484	13581	18872	14034	26488	40076	16840	16148	5480	6540	3296	0	8924	12432	0	12856	13356	6256	57392	8036	14064	6004	18228	17308	35688	6268	0	0	0	14344	38824	0	13224	8792	13601	12096	9048	0	17200	18442	8536	7208	6588	8744	0	13428	28234	18624	0	15008	7988	11348	0	9010	12116	9244	6116	3124	14691	8656	0	4248	16927	18332	9144	15666	3076	11884	22360	0	10808	9418	11918	27470	0	0	19790	30960	36486	0	19704	11800	8082	19124	23328	10892	13272	12980	0	10148	7904	0	5792	30532	Phytochemical	0.56	1.16	0.04
26	C25 H29 O14 N1	568.1661	568.1669	0.021233067	568.1661	3206	3762	4011	4677	5007	6425	0	0	6164	14970	2971	0	10156	0	0	0	0	11195	6104	17409	13146	8554	0	0	0	0	1789	0	0	0	0	0	0	0	14687	0	3259	0	0	12873	5575	0	0	0	0	41431	38615	0	2268	0	5749	4301	3300	0	5614	7331	0	0	0	0	0	8359	8265	5080	0	8017	0	0	6940	10042	8251	0	0	0	0	0	0	0	0	6027	2812	20807	0	5445	0	0	3162	0	0	0	2646	0	0	4866	16163	0	4419	0	4768	3081	0	0	0	0	26683	0	0	0	0	11089	Phytochemical	0.56	1.16	0.04
16	C25 H29 O14 N1	568.1661	568.167	0.110402755	568.16614	59114	51946	59845	56403	48813	43564	21016	43030	57279	105763	52480	22513	93173	23042	40699	36346	22780	87278	95515	123729	109064	114763	46355	36349	34136	26739	20379	26962	33485	37110	36955	34650	42458	31758	133464	40348	37401	27559	17918	77134	54140	31604	1612	0	0	194561	208725	0	35856	35620	52115	54478	42908	317	92445	49418	24077	36754	49076	17338	38968	65279	82751	58801	21473	58711	36123	16862	44813	48898	36310	30874	40185	40255	22888	33504	0	29425	39762	69098	30544	133618	28002	49567	59497	36797	31022	21087	29393	28922	29360	43211	57672	85471	120941	0	47605	70170	49910	39251	41903	44422	24313	56823	179460	37176	56520	0	24373	85958	Phytochemical	0.56	1.16	0.04
10	C25 H29 O14 N1	568.1661	568.1672	0.28701082	568.16626	10295	11504	6811	10006	8402	5517	5012	8076	10162	23504	12885	6343	17010	4222	7405	9624	10345	10952	11700	21067	22296	19955	6447	12038	3871	3111	5614	4078	6585	8783	4538	7886	10569	4920	29140	6237	8726	6375	8599	13774	18339	4930	0	0	0	21429	35275	0	7378	7129	9931	10464	5660	0	12657	7720	4329	9382	6503	9795	14181	10357	19993	13760	4553	9382	6442	10481	7159	5651	8762	7959	6001	5650	6833	5599	0	4435	11540	11408	6379	16078	5817	6102	11587	5892	8170	2849	5439	8701	4180	5705	7657	16891	21338	0	9319	11313	8143	9742	11765	8881	6736	9966	18394	7389	10322	0	4057	13984	Phytochemical	0.56	1.16	0.04
12	C25 H29 O14 N1	568.1661	568.16705	0.18265486	568.1662	20006	21618	14862	21308	17724	10632	14827	25338	22509	47541	28656	14269	33148	7901	17987	17119	20317	29685	32100	51396	48958	55088	22042	16530	9575	9451	5431	0	19242	19647	18218	14530	23386	11873	66760	19599	15865	15332	18273	35191	51328	13873	402	0	0	71826	106416	0	15499	20178	26295	22970	11928	0	43179	21459	11857	16200	17935	9144	0	31712	35547	24601	9556	29101	13443	20208	0	14040	19130	19170	13644	17111	14846	13491	0	16045	13543	30642	15411	47187	14360	15641	24964	13057	18683	8196	12028	22434	6957	14144	18499	41770	43787	0	24056	28057	23792	17107	21053	21708	11518	24497	74002	15105	21319	0	14105	27285	Phytochemical	0.56	1.16	0.04
22	C25 H29 O14 N1	568.1661	568.16693	0.15599787	568.1662	16534	13318	20816	19201	22852	17575	6046	9670	23833	36793	8677	4867	41215	8329	8869	6933	3009	28767	29579	39904	39575	27677	11409	8309	8547	13598	3071	5309	8688	4010	5273	9546	5886	4570	28952	6034	8177	8347	4394	48352	12444	6245	0	0	0	108718	106659	0	8559	7928	21836	16659	15525	0	29021	17457	9220	5414	9286	4918	10732	17022	26393	18964	6450	16980	10410	2572	15830	15028	16104	6282	6723	5924	6084	4115	0	8865	12257	21793	9167	71335	5588	17940	23129	13428	8215	7142	7760	1354	8017	18134	11213	26906	38497	0	20387	19641	18813	12230	18209	8417	5369	12236	93157	6964	20728	0	6506	35318	Phytochemical	0.56	1.16	0.04
28	C25 H29 O14 N1	568.1661	568.1668	0.07313023	568.16614	5710	4355	2995	5164	4808	4426	0	0	4250	13565	3359	1633	6251	1676	2822	2084	0	4335	5831	16227	13784	4772	0	0	2198	3959	1203	2190	0	0	1754	1363	1674	1537	11314	0	2069	1835	1307	7627	5598	0	0	0	0	23778	34363	0	1681	2344	4996	4027	2942	0	5251	3883	1403	0	1939	0	0	7928	6482	2500	1343	3046	2322	0	3411	9948	6900	1785	1119	0	0	1190	0	1422	1959	5109	2641	16075	0	6508	2937	0	1864	1567	1112	0	1949	2898	0	4328	7503	0	4477	4816	3438	3597	3472	0	0	0	23211	2254	4160	0	0	7793	Phytochemical	0.56	1.16	0.04
14	C25 H29 O14 N1	568.1661	568.167	0.09026835	568.16614	48921	52139	38793	47008	38578	29605	18977	41318	44692	79635	49819	19702	63829	13989	33812	40438	19752	63225	63059	95658	88524	103258	37366	45444	23040	23391	19823	29889	30680	33165	24778	34954	32678	28363	101215	28043	29264	26511	16458	63097	58151	26137	0	0	0	135969	178170	0	27467	34639	41328	37637	28457	216	65780	40137	19445	34818	36645	23988	58112	57478	59860	41151	19534	44059	28600	18196	31048	33506	34111	31136	32281	36187	19881	25849	0	24252	35796	73065	27224	87815	20902	28151	46663	31209	25230	19462	19324	27088	27649	32527	54497	70578	94589	0	39151	61288	37107	32148	38729	28407	25404	48206	167696	28023	40262	0	19302	56091	Phytochemical	0.56	1.16	0.04
8	C24 H29 O13 N3	568.1773	568.1784	0.15503743	568.1774	4385	6844	3582	8334	4530	3574	6478	10618	6841	7363	2048	7320	7100	0	5623	7718	12294	5954	8883	2189	7056	14343	8014	8349	3978	780	2302	0	5207	6365	9255	10701	8844	9035	7874	6601	9731	6637	10226	4621	7926	4700	0	0	0	8261	8590	0	8130	8591	8453	6931	5902	0	11335	3647	4372	7682	2852	7333	6139	2344	10202	7720	2257	8505	4190	10560	0	0	0	8951	7431	6867	7546	6508	0	7578	11263	3323	6171	3014	2563	0	5107	0	7416	5350	3357	20125	0	0	16998	4684	7690	0	8950	11156	2232	8609	0	10883	7559	7030	0	9448	2102	0	2840	8948	Phytochemical	0.5416667	1.2083334	0.125
24	C29 H29 O11 N1	568.18134	568.18207	0.008534195	568.18134	6797	3059	5227	3225	4115	2386	0	0	6175	26944	12744	900	8539	2620	2436	0	0	7596	3926	13840	17191	11841	0	3354	0	14410	0	11177	0	1117	0	0	1122	0	29439	0	1650	1011	1174	14072	8936	0	0	0	0	11398	10819	0	0	0	2516	4736	3661	0	3690	4680	2814	0	2058	1911	0	5743	4976	5887	1392	4058	3673	1439	15390	21678	22148	1073	0	0	0	0	0	1535	2582	6771	786	8420	1663	8862	5447	0	2537	2366	2579	0	2846	0	4054	11562	15847	0	4883	3160	6935	6253	6745	0	890	0	5862	0	4359	0	0	7906	Phytochemical	0.37931034	1.0	0.03448276
20	C26 H33 O13 N1	568.20245	568.20325	0.023243241	568.20245	79032	76353	79449	72883	69437	68916	32073	77993	81460	174034	58353	33669	151347	44481	71344	60836	22465	117269	116169	178562	165162	100570	70112	70963	60811	84818	29142	48807	73482	58837	59796	58048	67027	57699	149392	68343	75052	40205	27984	121623	60125	48299	2868	0	0	265309	192344	0	52515	57298	73207	68508	57169	260	132205	63138	34305	53699	64555	19505	63838	81339	99527	71505	36304	64796	53028	30700	80659	125716	81625	66533	57865	63150	34510	52455	0	45001	50812	47293	40563	127622	34010	95358	79654	51735	44674	32269	42266	21042	47678	67945	98003	60618	92444	0	75759	97889	65628	45268	60352	67698	39594	75151	179856	54527	73262	0	34324	118476	Phytochemical	0.5	1.2692307	0.038461536
14	C26 H33 O13 N1	568.20245	568.20337	0.054870147	568.2025	61212	56151	50634	53525	28405	29498	40255	70568	44922	102102	50732	37257	51383	22068	50648	58926	40832	53674	54123	122129	105295	71302	49099	65848	40373	53073	31151	35991	56093	56483	46398	65525	57673	40319	122697	59561	57031	30252	30223	62735	70696	33467	0	0	0	124784	123070	0	52913	58455	55333	48777	31903	0	65912	31324	20202	56407	70092	41781	80506	61190	42708	37161	23391	34759	27782	35677	58765	57882	53057	50172	49523	63010	41134	48034	0	38682	41386	35916	35066	63073	39884	50976	44498	35747	37134	28065	26465	46204	44048	50173	72224	44670	71947	0	55243	65016	28852	27222	32147	63971	34953	75115	110620	37199	35083	0	32041	40563	Phytochemical	0.5	1.2692307	0.038461536
12	C26 H33 O13 N1	568.20245	568.2034	0.17474824	568.2026	25669	23903	19419	23042	15653	14043	20188	33030	16127	40534	20981	14592	22214	5887	22499	21201	24405	19738	24188	49685	45680	39081	20956	36587	18953	20600	11527	17276	27165	21514	21748	19847	26566	25296	56822	23362	22295	19557	21834	34422	28393	12192	542	0	0	41697	53131	0	26920	27831	23172	20317	11358	0	26485	16324	8274	27301	26807	22071	19674	27464	19167	18119	7080	15421	13145	19949	0	23981	20999	19060	23173	29482	18862	20378	0	15155	25871	0	18524	27642	20068	21984	17438	9351	24436	8739	10863	31628	18179	31775	37265	28820	27064	0	29410	24222	15716	15094	14387	23750	14854	29516	37354	21915	13741	0	16672	16785	Phytochemical	0.5	1.2692307	0.038461536
26	C26 H33 O13 N1	568.20245	568.2032	0.042116594	568.2025	7499	7948	8769	8078	7444	4396	0	5889	7960	21952	4237	0	16170	3163	0	0	0	13158	10069	28792	30227	7430	5443	0	0	8935	0	3577	0	0	4061	0	2735	3014	19563	0	3701	0	0	12797	7103	0	0	0	0	29095	21570	0	3915	0	8801	6176	4909	0	10739	5937	0	2797	4407	0	4887	9330	11426	6072	0	6705	5155	0	7358	21829	14071	4173	3833	0	0	2155	0	3142	5058	0	3901	19236	3247	8821	9428	0	4205	2962	3508	2468	4160	6476	0	4075	9792	0	6781	8738	7121	5591	5965	0	0	0	16899	2858	6680	0	2903	12698	Phytochemical	0.5	1.2692307	0.038461536
16	C26 H33 O13 N1	568.20245	568.2033	0.033924747	568.2025	86812	95639	91317	96844	64617	52659	44782	106461	80176	185642	78245	51812	108909	30423	87296	81993	49642	124402	119872	225109	168954	114140	89407	103834	77137	92869	42836	63945	103443	86670	95938	83004	85537	68624	207828	99153	88786	56669	45898	137024	85672	52469	2610	0	0	205679	185486	0	85935	91709	86285	92500	51930	338	100390	55413	36755	78623	90545	37516	106479	97322	86985	69224	29995	79672	52305	39701	91432	106638	90090	92225	79555	95563	49241	78405	0	64891	60213	74839	59866	123106	67524	105051	71039	54031	58490	42466	49281	52607	66396	85532	103308	66372	132381	555	88044	104283	66786	48830	57650	93214	45269	114846	146864	67498	67585	0	54057	85786	Phytochemical	0.5	1.2692307	0.038461536
10	C25 H33 O12 N3	568.2137	568.21484	0.24904987	568.21387	5507	7503	10109	7677	1861	4642	7639	16175	4202	6455	2658	7053	5238	2850	7970	11988	6632	3313	7578	5667	5951	15492	11399	12887	9190	0	4764	0	10786	8649	7659	12730	14042	11395	7310	10864	10599	7149	9291	8230	3694	3038	0	0	0	8439	3670	0	13258	10256	9368	9752	2635	0	8593	3052	4369	16167	11993	5261	9561	4179	6326	6030	2625	3454	5056	7165	0	0	0	9089	7874	8821	5946	8543	0	7295	9913	0	5575	4887	7440	4021	5074	3047	8241	4097	6279	14028	14485	15131	23277	5615	5833	0	6883	7276	3030	2773	3471	10139	5167	11682	0	12922	3358	0	7365	6033	Lipid	0.48	1.32	0.12
24	C30 H33 O10 N1	568.2177	568.21844	-0.024035348	568.2177	8386	6488	8252	8121	7927	6352	2655	3802	7639	25401	22722	1707	7922	3449	2414	5388	2701	8313	7299	23248	21308	10246	4258	4207	3600	29854	2096	22118	3046	2415	3415	4065	3045	3414	31581	4127	5425	1835	2615	19873	19598	4194	0	0	0	12624	13932	0	4592	0	5925	8939	4403	0	5648	6249	3539	4191	3442	3501	0	15286	10014	6588	1978	6503	4114	3229	25377	33537	39868	2903	2279	2667	2385	2194	0	0	6248	6949	4908	7936	3191	15923	9461	5569	3505	5756	4720	4229	4733	5396	8223	8788	15196	0	6322	6149	4545	6299	7037	0	2554	5173	7042	3958	4097	0	2831	11830	Phytochemical	0.33333334	1.1	0.03333333
26	C30 H33 O10 N1	568.2177	568.2184	-0.02945279	568.2177	0	3614	3492	5059	2985	0	1861	0	3784	12279	8803	0	0	0	0	0	0	0	0	8688	0	4700	0	0	0	15568	0	7711	0	0	0	0	0	0	14045	0	3074	0	0	7804	11309	0	0	0	0	0	8508	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4064	2948	3669	0	0	2559	0	16244	16255	21164	0	0	0	0	0	0	0	4652	0	0	4876	0	6166	0	0	0	2820	0	3469	0	2489	0	5610	9798	0	3611	0	3938	3870	0	0	0	0	0	0	0	0	0	0	Phytochemical	0.33333334	1.1	0.03333333
28	C27 H37 O12 N1	568.23883	568.2396	0.106854714	568.2389	4793	5536	5332	4889	3798	3215	1234	3988	4978	15783	3785	1420	9923	3339	3081	3612	0	5265	5250	19863	15939	2604	2910	3917	2914	11355	1447	4228	2199	2982	2485	2491	2506	1805	14883	5015	4755	2352	1264	7449	5184	0	0	0	0	9876	8452	0	3312	3030	3759	5043	3383	0	5123	3200	1526	4156	2742	1609	4842	3491	6091	3832	1459	6623	3401	1488	8532	22923	13771	4062	1579	0	2320	2674	0	2187	3520	2064	4018	5101	2900	6070	4564	1981	2366	2063	2180	1463	4239	3681	4625	1471	4022	0	3486	3566	3301	2691	4942	3143	929	4904	6022	2439	2612	0	1614	8431	Lipid	0.44444445	1.3703704	0.037037037
14	C27 H37 O12 N1	568.23883	568.23975	0.027504453	568.2389	35990	30878	29549	37364	15753	13870	31047	53035	17799	43740	23041	26475	28427	8797	29779	41950	29737	19677	31388	66223	48565	40006	31274	50327	35332	44442	23507	21749	34586	41705	32171	43354	40122	29650	50789	51735	26534	24049	24785	38375	31608	19061	0	0	0	54104	43851	0	35558	42995	37244	28126	14491	0	33134	20405	14592	31583	33441	28718	35922	22138	19576	18197	14394	21356	22949	23952	33751	39640	31609	31863	30110	43724	27353	32824	0	25677	30746	20720	28455	20493	29642	25893	24059	17453	29168	16203	21219	30471	28751	31241	40131	20725	34106	0	32325	40891	18124	15312	21977	38064	19680	60354	28923	30229	19644	0	26372	21739	Lipid	0.44444445	1.3703704	0.037037037
26	C27 H37 O12 N1	568.23883	568.2396	0.037478875	568.2389	11890	12095	12366	10319	13623	11794	1765	5927	16730	33370	9538	4396	25723	8326	7326	8616	0	17662	16566	32251	33722	10692	13206	12159	8582	15719	4376	8400	6593	0	8238	6134	7415	6818	35282	8483	9017	5479	3575	15452	11435	0	0	0	0	21473	21886	0	9940	7837	14200	13089	9068	0	16557	10813	5227	10516	9881	3609	15733	11397	23529	13446	3069	15685	4903	4421	11981	43267	25306	14300	9802	9363	6400	7032	0	6108	7552	0	9113	15485	5747	9100	15010	7661	9656	5500	6842	5795	8738	8725	15470	3806	14626	0	12407	17138	8822	8519	8808	9233	5413	9120	14378	8328	6307	0	5166	22923	Lipid	0.44444445	1.3703704	0.037037037
12	C27 H37 O12 N1	568.23883	568.23987	0.21070746	568.23895	13323	9632	18551	12231	5769	5199	8167	26649	10565	16620	10618	9625	10351	4434	12884	20736	18170	10052	14327	23444	19561	15792	15574	15540	10183	9587	7655	0	16080	15523	16163	14011	20890	13925	28035	17353	14854	9390	18552	17163	13132	7664	0	0	0	13466	17155	0	11565	16600	9675	10059	7964	0	11026	9063	3915	14551	13113	11497	0	8510	8213	7199	4841	9075	8148	11620	0	15335	12917	13277	14330	15430	10461	13576	0	8976	8927	0	10536	9295	11627	8683	6188	5286	9809	5536	8181	15553	13467	18479	19979	6153	11030	0	16095	20214	5075	5148	8255	14862	7174	23919	0	12233	4949	0	13480	6000	Lipid	0.44444445	1.3703704	0.037037037
6	C22 H42 O12 N1 S1 Na1	568.2398	568.24084	0.4160606	568.24005	1403	1734	0	2029	0	1558	1328	1355	967	1912	0	445	603	639	1372	1830	1238	1470	1131	1561	2736	2923	1513	2125	1428	0	670	0	1686	2559	1311	2222	2440	1192	2852	1663	2271	854	0	1505	0	649	0	0	0	14313	38304	0	2825	1188	1477	2091	1023	0	1557	557	670	2416	0	734	2344	0	1443	0	0	962	930	1916	0	0	0	2156	2106	1432	0	1649	0	1095	993	0	1484	12695	849	929	0	0	1643	673	1000	1361	0	1965	2622	1898	1517	0	926	0	454	1017	515	2103	1114	0	14303	2328	731	0	1350	0	Organosulfur	0.54545456	1.9090909	0.045454547
26	C31 H37 O9 N1	568.2541	568.2547	-0.09937847	568.254	4400	4928	4107	3887	4861	0	0	0	2268	10426	10270	0	0	0	0	0	0	0	0	13702	15189	4392	0	0	0	22465	0	10699	6233	0	4346	0	4834	0	9691	5845	2869	0	0	7815	11363	0	0	0	0	0	0	0	3694	0	5575	5194	5372	0	0	0	0	3285	0	0	5114	7390	2522	3851	0	4310	3741	3856	16875	20703	25889	0	3667	0	0	2953	0	3317	4061	0	0	3080	0	8610	0	0	4898	0	2820	3314	4566	3783	8018	5267	0	0	3532	0	4049	4451	0	5537	0	0	0	4738	0	0	0	2552	Phytochemical	0.29032257	1.1935484	0.032258064
24	C31 H37 O9 N1	568.2541	568.2548	-0.025670428	568.2541	13064	14779	11808	9233	10086	8743	3603	9849	8130	29365	24789	3626	8052	6310	7314	12284	6785	6130	19643	35868	24411	12120	8697	12782	8818	43231	3176	27471	7081	4384	9177	7024	9966	10734	26419	11776	11579	3246	5006	29978	22183	8661	0	0	0	16105	12452	0	8771	7870	10819	11030	6779	0	8218	11578	3482	14563	7457	3823	14132	16828	11010	7352	3062	6515	6173	10985	44607	41266	46938	7428	7668	7420	5534	7116	0	5732	11050	6524	6794	8914	10430	16004	11510	6841	11941	7899	9748	11324	20187	26759	22259	12427	12252	0	9508	9985	6905	7922	10593	9313	4676	9367	7036	17358	6368	0	6972	7547	Phytochemical	0.29032257	1.1935484	0.032258064
10	C25 H37 O10 N5	568.2613	568.2622	0.40345624	568.26154	0	0	2234	0	0	1149	0	0	0	0	0	0	0	0	1925	1319	0	0	0	0	0	1269	1075	1464	3592	0	0	0	0	1155	0	1176	0	0	0	0	1671	1176	0	0	0	1099	0	0	0	0	0	0	1354	1375	1705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1478	1752	0	1176	0	849	1057	41369	0	0	0	0	0	617	894	0	0	1665	34483	9350	2092	2559	1900	0	0	1215	0	0	0	1387	0	0	0	0	0	0	794	0	Peptide	0.4	1.48	0.2
6	C25 H37 O10 N5	568.2613	568.26227	0.48492986	568.2616	6892	7432	6088	7356	0	16456	3136	7304	1744	4288	0	0	4440	1768	3248	3156	0	0	0	0	0	4192	4612	0	3592	0	2716	72116	5632	3808	3780	6020	9696	5576	3056	5072	9304	4288	4560	0	0	0	0	0	0	0	0	0	5336	5508	8664	9552	1968	0	3076	0	0	0	0	0	5616	0	4812	0	0	3112	2244	0	0	0	0	0	5432	5112	0	3156	0	4248	681	372796	0	0	1520	0	2136	0	2964	0	0	4628	234568	101128	7280	33340	6900	0	8264	5596	2208	2364	0	5168	1780	0	0	6324	0	0	579	4456	Peptide	0.4	1.48	0.2
28	C28 H41 O11 N1	568.2752	568.276	0.042338476	568.27527	5743	4000	5356	4320	6881	3277	1973	4794	4211	12559	4198	0	8694	3000	3735	5031	0	7309	10237	11380	13141	3846	2605	5406	3538	12482	2282	5121	3688	4122	2763	4819	4832	4060	16342	5767	6647	2670	2696	6336	3482	2570	0	0	0	5377	4565	0	5309	6907	7049	4154	3348	0	9348	4750	1293	5668	2849	1267	4436	2632	8697	5327	0	8688	2661	2344	9542	24185	15662	3385	3181	4411	3218	2601	0	2168	4488	0	2787	2243	3420	3501	7701	3661	3772	3148	4231	2786	4329	6148	8857	2029	2567	0	4733	4938	2781	3705	6022	4906	1503	4743	2588	3987	4059	0	1793	8078	Lipid	0.39285713	1.4642857	0.035714287
20	C28 H41 O11 N1	568.2752	568.276	-0.015232578	568.2752	121321	0	113990	100041	102014	77800	69556	163142	110665	161867	95128	79269	140377	71568	133721	144958	65600	139219	156744	0	189509	100832	122129	150293	114418	141429	59739	0	149646	118388	110715	0	139413	111726	165735	128163	136638	92988	61768	127067	64477	89601	1941	0	0	137425	84771	0	121270	126243	108301	111362	92763	330	0	108833	61077	123641	119822	48174	139972	70990	120696	110284	65668	106149	80119	66442	107185	208766	132591	0	119354	138638	92491	107813	0	94948	0	50218	100953	62301	0	106910	120997	75869	100652	61626	77489	67212	126009	148507	162749	57974	101016	597	115327	135859	76875	73432	101471	153324	80540	155325	92225	0	100360	0	77585	119068	Lipid	0.39285713	1.4642857	0.035714287
26	C28 H41 O11 N1	568.2752	568.27606	0.006622975	568.27527	19043	21180	20213	20433	25956	16066	6688	17962	26643	44046	17584	9047	49411	12782	17591	15278	7156	36633	39078	47961	53382	17339	19287	21338	12477	28928	5241	16802	18223	14524	17477	12207	14667	15402	45161	16746	26191	9104	9512	26290	13115	12978	0	0	0	29913	17636	0	19536	15758	19582	19180	20399	0	36059	26597	8540	14420	15552	6803	18579	14364	37879	27402	8529	27488	11959	7126	33543	53664	38159	20028	16637	15939	7324	12130	0	13020	19304	5695	21135	14603	11865	15026	28235	10575	17517	9992	11871	10336	15956	20188	33403	6422	19383	0	18542	25197	14148	20528	22220	15819	8836	18173	13962	15300	22400	0	10837	34067	Lipid	0.39285713	1.4642857	0.035714287
22	C32 H41 O8 N1	568.29047	568.2912	-0.058778066	568.29047	8029	5740	4645	4770	4235	2125	5858	7500	2442	5034	11440	3410	3293	0	4798	9690	9898	0	3118	14285	8800	4487	5313	8013	6516	22057	4357	11341	6178	6547	5176	5260	6738	8635	4495	10400	8452	5302	8069	10518	11835	6336	0	0	0	6285	4534	0	7451	9048	5075	4765	3310	0	2972	2750	2630	8490	4406	7154	10473	7190	2728	5255	2721	2889	6421	10799	11267	17716	12677	6895	6005	4857	6763	7945	0	4342	10868	4957	3298	3508	5182	6343	3344	2389	8294	3975	3552	13563	7471	4054	11049	7663	9061	0	6055	7346	2796	2675	1933	10751	5706	5266	2755	10238	3678	0	6234	1639	Phytochemical	0.25	1.28125	0.03125
26	C32 H41 O8 N1	568.29047	568.2911	-0.05107363	568.29047	10005	4812	5954	5368	3414	4306	0	0	4972	5341	7598	0	0	2301	0	0	0	0	4919	9650	8271	6179	0	8013	0	25160	2573	12133	8452	0	5452	8935	9435	7089	5073	8447	8750	2958	3968	8521	9121	0	0	0	0	7859	0	0	6247	0	4190	6356	4845	0	0	0	0	7358	5237	0	8388	4313	3960	0	0	6560	6567	5842	23572	17783	19061	7103	3850	0	0	4048	0	0	5628	6600	3464	3211	5002	7920	0	0	4970	2991	0	4052	5646	5586	9392	5271	0	0	6764	5036	4110	4049	0	7797	3209	0	0	5980	0	0	4158	2197	Phytochemical	0.25	1.28125	0.03125
20	C29 H45 O10 N1	568.31165	568.3124	-0.010327136	568.31165	34523	25424	29732	29448	25336	14245	33450	42190	28855	19593	15275	25064	27832	15140	45024	49043	43924	31137	41535	36718	30695	16759	31844	44365	31776	22406	25064	22671	43186	41587	32406	34120	44529	33216	18405	47293	37922	27891	47360	15076	13989	23522	434	0	0	24339	15890	0	38581	38826	29046	33284	22960	0	37944	28890	15416	38618	22715	20362	39413	18357	22559	30194	17689	23227	23449	45058	17154	26793	28464	27453	26002	46529	34874	32404	0	32403	34552	14330	26974	10258	27624	16065	40590	26038	31094	19472	24426	27058	36857	29757	48982	7986	15477	0	35269	40728	18591	29902	35983	49043	25888	39684	18256	37546	35784	0	36959	28213	Lipid	0.3448276	1.5517242	0.03448276
26	C29 H45 O10 N1	568.31165	568.31244	0.002380292	568.31165	24391	23090	25975	29686	39880	24626	16163	32185	34684	34818	18829	10106	50675	21391	25586	24331	13054	43614	66799	60317	37185	29664	28498	36979	37644	27377	15119	26263	39503	27900	28467	27319	38842	26517	56523	33588	48006	22066	15192	34326	11021	20284	0	0	0	30432	9934	0	31681	28264	31514	25227	28186	0	58776	37574	17171	27868	27922	8749	33642	20723	48695	39562	15592	34854	24347	11748	27970	61114	35196	28954	27810	33836	16080	23460	0	22433	29072	12805	24840	15330	22950	24476	36105	26714	27848	12888	19505	17916	35222	41444	43785	15271	17833	0	27091	33914	22423	34685	43849	31770	11356	33800	20760	25548	26369	0	17860	45150	Lipid	0.3448276	1.5517242	0.03448276
24	C26 H49 O12 N1	568.33276	568.33295	0.16979167	568.3328	6934	6124	7744	6463	2436	0	7602	10422	3662	0	5182	5630	3368	5540	6374	15858	22864	0	3862	6602	3750	4020	6764	5086	8592	10320	11592	13764	10310	9406	7956	12804	9300	0	0	16464	3902	5450	21804	3268	9398	4900	3222	4030	0	2862	3916	2725	9650	9308	7088	5654	3334	0	6342	9788	7024	9629	7090	5906	7974	2060	4498	2548	6654	4790	0	18794	8516	6106	8478	5210	2526	9326	10140	6780	0	6562	9434	4348	11864	3508	10094	4298	8984	7952	13294	5314	3898	21294	15394	0	11058	1805	0	2067	8722	5978	3410	14456	11634	8608	6098	11176	2392	7230	5156	4571	9458	0	Lipid	0.46153846	1.8846154	0.038461536
14	C27 H45 O8 N5	568.3341	568.3349	0.59370697	568.3344	8043	0	0	1471	0	0	0	0	0	0	6024	0	0	0	0	0	10965	0	0	0	0	25752	0	10710	0	0	0	20189	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7695	5673	7281	0	0	0	0	0	6435	0	45315	125202	0	0	0	0	0	0	0	100572	0	0	0	0	0	0	0	0	0	0	93804	0	0	0	0	0	0	0	0	0	14217	213126	53331	0	0	0	0	8553	0	0	0	0	6870	0	6516	0	0	0	0	0	0	Peptide	0.2962963	1.6666666	0.18518518
24	C30 H49 O9 N1	568.348	568.34875	-0.022003796	568.348	15611	16848	13414	16105	19059	13925	30302	24090	18899	12581	8158	9378	24559	12210	21286	24775	20197	26946	43230	18664	11589	6084	18355	21054	21126	6457	25632	9187	27687	23990	19702	24027	30050	16035	11157	27660	31169	17004	18294	12397	2465	16273	0	0	0	11850	7269	0	24504	20893	19445	14771	20178	0	40186	24509	12951	22743	16501	7624	24086	5953	25120	18062	12265	18321	14877	17302	7878	14357	9749	15592	16851	23578	15103	23192	0	15315	22524	8757	16343	8924	24112	15332	31160	22667	22698	13139	15560	10655	27906	29621	30108	7375	6770	0	19208	18487	14019	19310	31006	37473	10856	21580	7797	20615	28692	0	14141	19981	Lipid	0.3	1.6333333	0.03333333
14	C30 H49 O9 N1	568.348	568.3488	-0.13204657	568.34796	0	0	1995	0	0	0	0	3251	0	0	0	2014	0	0	2076	28475	3060	0	0	0	0	0	1761	4443	1230	0	2657	0	4864	3626	3294	62614	0	1611	0	3161	0	1426	0	0	0	0	0	0	0	0	0	0	7971	5631	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2467	0	0	0	2781	1186	3734	1920	3617	0	2765	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1575	0	0	2215	0	0	0	0	Lipid	0.3	1.6333333	0.03333333
16	C30 H49 O9 N1	568.348	568.3487	0.063620605	568.348	0	0	1774	1570	6152	0	0	0	0	0	0	1641	0	0	0	0	0	22197	0	0	0	0	0	0	0	0	0	1920	0	2118	1367	42129	2313	0	0	1373	0	0	0	0	0	0	0	0	0	0	0	0	1810	2611	0	1579	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1413	0	0	0	1932	1563	4611	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3	1.6333333	0.03333333
14	C27 H53 O11 N1	568.36914	568.3705	0.6186928	568.3695	10017	7442	2510	0	0	0	2260	5018	0	0	4617	0	0	0	0	0	2063	0	0	0	0	0	0	18738	0	0	0	30800	0	0	0	0	0	0	0	0	0	2838	1423	0	7005	0	0	0	0	0	7449	0	0	7834	4450	9962	0	0	0	0	0	0	0	7170	74322	1935	0	0	0	0	0	0	24890	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2526	0	7246	0	0	0	0	0	0	0	11064	0	16653	0	0	0	0	0	0	Lipid	0.4074074	1.962963	0.037037037
24	C32 H57 O7 N1	568.4208	568.4214	0.16862874	568.4209	1130	2408	2551	0	0	0	0	0	0	0	0	13214	0	0	23327	2892	0	0	0	0	0	0	108391	0	69213	0	2013	0	0	2824	0	0	0	0	0	0	0	41773	0	0	0	0	0	0	0	0	0	0	0	1645	2754	1588	0	0	0	0	3411	1007	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3712	0	0	5322	13836	0	4845	0	0	0	0	0	113117	0	0	0	0	0	0	0	0	0	1461	0	0	0	0	0	7577	0	0	0	0	0	22571	0	Lipid	0.21875	1.78125	0.03125
22	C32 H57 O7 N1	568.4208	568.42175	-0.29877293	568.4206	0	0	0	0	0	0	0	0	0	0	0	1194	0	0	0	0	0	0	0	0	0	0	23455	0	12080	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1998	0	0	0	0	0	0	0	0	0	1532	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.21875	1.78125	0.03125
18	C16 H20 O15 N6 S1	569.078	569.07874	-0.5547134	569.0777	0	0	4126	0	5960	3844	0	0	5308	0	0	0	22360	0	0	0	0	3532	4852	0	0	8294	0	2246	0	0	0	0	0	0	0	0	0	0	5074	0	0	0	0	0	0	0	0	0	0	2434	6522	0	0	0	0	3262	0	0	6566	12416	2208	0	0	0	0	0	14808	10244	3132	7302	2712	0	0	0	0	0	0	0	0	0	0	0	4058	3800	2452	4200	0	0	13498	3176	0	2196	0	0	0	0	0	11744	7514	0	4216	0	5254	13882	10958	0	0	0	3074	0	4460	0	0	18860	Peptide	0.9375	1.25	0.375
12	C24 H24 O16	569.1137	569.11475	0.34016186	569.1139	0	5029	4761	5269	10472	4639	0	1194	12017	5068	3387	1811	23779	3937	0	2457	1922	10148	11791	2322	3795	14358	3647	3132	0	0	1267	0	0	0	0	0	1697	0	8362	0	1544	1703	1684	1232	6761	2771	0	0	0	6280	24910	0	1680	0	3214	0	6542	0	10509	14118	5064	2258	0	0	0	3443	31896	13888	4224	14778	4836	0	0	0	0	1171	0	0	1324	1400	0	1737	4563	0	4965	9337	0	956	18215	3928	5746	3072	3666	0	0	0	0	20710	7249	0	7511	4110	14313	17557	15895	1940	1942	0	0	2240	11884	0	1063	20042	Phytochemical	0.6666667	1.0	0.0
14	C24 H24 O16	569.1137	569.11475	0.3018691	569.1139	9365	6704	10764	9088	18509	7924	2994	2440	25558	7111	6413	2803	38485	6089	3481	0	0	19427	16309	7465	6988	31133	7196	0	0	0	1014	0	0	0	1415	0	3877	0	12135	2146	2861	4896	0	3083	7159	5220	0	0	0	12660	49554	0	3161	0	5191	7470	9844	0	22255	19203	6599	1586	0	0	0	5790	42091	21452	7372	22134	8412	1752	0	0	2262	1962	975	1205	0	1257	0	2643	6932	18103	8458	19883	1072	0	24566	7880	8700	2752	7176	0	0	3094	3251	39907	14320	0	6187	7271	16259	25120	23889	0	2513	0	31938	1955	15461	0	1195	40992	Phytochemical	0.6666667	1.0	0.0
16	C24 H24 O16	569.1137	569.11475	0.2695082	569.1139	13498	7476	9822	10218	18690	10649	1800	2435	26708	6432	10386	3011	53313	4141	3675	2167	0	26633	19514	5295	8321	31808	9220	3946	0	1537	1461	0	1981	0	1592	0	2347	1256	13229	0	2418	7682	1528	7077	6365	3930	0	0	0	21860	47027	0	1882	1809	6966	10335	13067	0	32680	18544	7204	0	3697	1544	0	6722	48703	15998	9108	21654	7217	1663	0	0	0	1369	1811	0	0	0	0	3903	7554	9002	7341	30670	0	3433	18890	9168	5509	4973	9229	0	0	5808	0	28470	21823	0	10643	5486	16847	24962	19581	2255	4783	1961	32586	0	17562	0	0	39631	Phytochemical	0.6666667	1.0	0.0
14	C23 H24 O15 N2	569.12494	569.126	0.20597595	569.12506	0	3051	0	2469	4635	0	0	1770	4055	0	0	0	7479	0	0	0	0	2117	2955	3854	1560	8187	0	3440	0	0	0	0	0	0	0	0	1411	0	0	0	0	0	1812	1632	0	1725	0	0	0	6323	21852	0	0	0	3110	0	2367	0	5467	3118	1651	0	0	0	0	0	7143	4613	0	2366	2112	0	0	0	0	0	0	0	0	0	0	0	0	0	0	7379	0	1298	3990	0	0	1502	1938	0	0	0	0	7886	3149	0	0	0	3487	4623	2603	0	0	0	0	2554	2813	0	0	5693	Phytochemical	0.65217394	1.0434783	0.08695652
16	C25 H28 O15	569.1501	569.15106	0.21544482	569.1502	42014	28150	29912	35252	29051	24210	12448	15783	51946	44156	26114	9899	61118	14047	23034	17681	5231	50005	50394	101392	96462	85586	24049	20988	12317	6207	7949	11536	15070	13642	19064	16189	30725	13032	50274	16783	22063	21575	8967	44719	26895	12422	336	0	0	99098	106802	0	18604	17207	28722	28629	26544	0	44472	57920	13444	19291	22708	6637	14285	32390	68203	35347	12383	38581	17546	9290	13109	11443	14269	19754	18060	17303	9380	17181	0	15945	23141	45160	23390	87346	10703	15460	25809	17809	22672	9505	18238	0	16210	24563	0	112830	68795	0	35582	27316	28486	25843	23008	22116	11681	18215	93429	24577	24528	0	10516	54177	Phytochemical	0.6	1.12	0.0
14	C24 H28 O14 N2	569.1613	569.16223	0.12844618	569.1614	37299	38906	38058	41738	29573	28048	12418	23423	39193	69742	31849	19885	66467	12858	30871	22579	18356	47878	49012	45175	42854	97455	28046	27309	11630	5324	14717	7936	23168	17443	26680	28267	30664	16914	79707	17186	31334	26092	15366	43732	39620	16876	0	0	0	111385	134025	0	25979	26004	37155	33796	24802	0	71163	26424	18242	23817	37498	16295	0	35704	68267	51320	16297	40635	20914	13251	0	14432	12712	22452	22997	19711	14361	16428	0	21802	29202	47816	25966	82535	16259	20982	35538	20844	23671	21116	26398	25175	16846	23107	32524	77631	68788	0	35113	38603	31900	31841	31684	28387	20817	27237	120740	32691	27649	0	15824	59027	Phytochemical	0.5833333	1.1666666	0.083333336
10	C24 H28 O14 N2	569.1613	569.16235	0.21658656	569.16144	63994	87725	38664	84917	129518	38288	26221	6388	132273	262564	124623	31722	235276	22692	31380	31123	54601	147299	89727	40251	181505	221073	115582	33937	13599	0	32826	0	30200	37461	37948	19568	30663	21431	339679	44503	55033	43411	42155	50295	136016	43452	0	0	0	114646	370739	0	29631	47308	57580	101955	83968	0	142671	89275	57026	59007	5638	60473	0	42712	267680	143166	60900	70695	29693	58462	0	0	176576	29498	33705	26041	53956	37598	0	36896	147640	79109	84525	150419	22627	81267	149091	38287	108882	33811	49626	71948	5221	4304	55487	262754	208979	0	139477	70650	136699	139501	181039	66751	37620	39802	0	45019	100723	0	28281	208247	Phytochemical	0.5833333	1.1666666	0.083333336
22	C29 H28 O12	569.16534	569.16614	0.025906285	569.16534	38863	39985	31531	26644	50115	25779	5301	11299	45472	119572	53106	0	49992	17726	11989	11150	3579	41395	53582	70167	74370	72506	15968	12237	13888	53420	8740	35043	6950	5403	9588	0	5416	6762	135694	6799	10542	7937	8342	51253	25595	6976	0	0	0	80933	73693	0	3287	3832	31353	26711	28873	0	52460	33136	14001	12581	15038	6971	13549	34797	62124	34487	16864	40033	16923	7664	44924	87839	81966	7371	6340	3183	5329	5129	0	14656	25301	42518	21249	54192	6206	34867	58680	20537	15772	11221	13412	10463	21683	22370	23446	44365	61668	0	22725	26403	37748	36273	33826	8696	3720	5301	46517	9918	41655	0	7235	49721	Phytochemical	0.41379312	0.9655172	0.0
20	C29 H28 O12	569.16534	569.16614	0.003199686	569.16534	28850	33431	27071	27976	37863	21866	7399	7459	43938	130867	67792	5100	57257	28754	11466	8845	6748	40295	52644	71821	70371	52993	13242	13238	8588	73699	7272	50630	5513	4225	6814	8688	12669	7330	176578	4864	14946	9168	6486	41981	38753	12275	1111	0	0	44583	54538	0	7114	3921	31532	30768	21714	0	45376	32882	20291	10605	11640	4350	11125	31525	58114	34963	16968	36114	19488	9165	55424	91685	96397	9594	2789	4773	4734	5799	0	6301	22340	28367	19315	35319	7798	53554	47212	25774	21638	14490	11122	9349	13023	14485	11571	51610	59145	0	33980	20511	43405	47462	44095	10881	6574	13921	40722	6210	39530	0	6964	53161	Phytochemical	0.41379312	0.9655172	0.0
26	C29 H28 O12	569.16534	569.16626	0.0888401	569.1654	8905	6957	6365	7008	11897	6310	0	0	16303	33208	12943	0	22839	7157	0	0	0	15983	16779	21462	20348	14055	5148	0	0	17820	0	6459	0	0	0	0	0	0	39615	0	0	3175	0	10851	10750	0	0	0	0	11242	11302	0	0	0	11070	7958	8882	0	19744	16061	4002	0	0	0	0	6675	25712	10457	3635	17224	5096	0	19824	26764	27451	0	0	0	0	0	0	0	9575	7983	6060	6251	0	7340	24064	9917	7298	0	0	2498	0	5133	0	12066	22218	0	8402	8611	15244	19196	17981	0	0	0	0	2214	10479	0	0	25473	Phytochemical	0.41379312	0.9655172	0.0
24	C29 H28 O12	569.16534	569.16614	0.021281445	569.16534	22044	23749	18778	11919	26763	17706	0	0	25871	69853	28526	3320	45181	11718	5125	4943	1956	30824	26370	28880	33427	31371	7732	8882	7330	30520	2561	21487	2578	0	1639	4822	5840	1564	95486	2206	5367	2983	3847	27136	18754	2992	0	0	0	34409	31181	0	6015	6526	21853	16320	18486	0	27566	23189	6223	4504	5839	3812	8786	14048	40624	22720	5446	26780	10546	2151	28498	51802	44562	2659	2928	0	2558	2298	0	3953	18560	18190	11263	26045	3876	14627	33101	13255	8136	6726	9205	3530	6378	18415	10826	25318	38636	0	16653	10940	23097	23542	24559	5042	2528	4745	25763	5983	22728	0	3632	40718	Phytochemical	0.41379312	0.9655172	0.0
2	C26 H32 O12 S1	569.1687	569.17	0.121459134	569.1688	6282	7542	5975	4562	0	0	0	6875	0	0	0	2114	0	0	0	4302	0	671	462	0	0	0	321	7329	0	0	0	0	5688	21395	5213	11323	3305	17033	0	12956	16247	254	0	0	0	0	0	0	0	403	280	0	13275	13800	6552	5243	545	0	0	0	0	6214	0	0	15797	0	0	0	0	445	488	0	0	0	0	24389	45679	23214	210	13614	0	1519	391	0	0	0	0	0	0	0	0	0	731	0	0	0	0	0	0	0	6463	5195	0	0	0	11071	0	0	0	2758	0	0	0	0	Organosulfur	0.46153846	1.2307693	0.0
2	C28 H33 O9 S1 Na1	569.1816	569.1829	0.45084092	569.1818	4303	2046	2574	3013	0	0	1899	2668	0	0	0	4006	712	0	0	0	1525	0	507	0	0	491	326	0	0	0	0	0	5632	18529	4566	14354	3817	7238	0	19365	4530	712	1304	0	0	0	0	0	0	0	0	0	8573	4789	5640	5196	317	0	0	218	0	644	0	0	421	0	588	436	0	474	0	971	0	0	0	5221	25837	112637	354	13728	0	5239	0	0	315	0	0	0	309	0	0	553	651	0	0	618	0	0	0	0	2938	4017	0	0	0	4990	3165	0	0	771	0	0	0	0	Organosulfur	0.32142857	1.1785715	0.0
14	C26 H32 O14	569.18646	569.1875	0.29359552	569.18665	43169	33476	30292	32572	18863	19326	21423	27291	22180	65887	38769	20220	18954	9462	26067	24477	14706	27276	31686	67560	47637	65305	25935	28347	20140	15650	19546	22409	24496	29169	27841	29554	34245	26664	88467	37928	30294	20540	22266	73858	40471	12412	0	0	0	76957	72852	0	28898	31798	28383	42576	15933	0	26573	15760	13401	26691	38110	13773	35120	31518	31822	22050	12918	20396	18082	22403	17636	25753	22658	27142	28751	26042	18796	32532	0	22243	27650	31434	30300	49037	21116	28355	16696	13613	22121	10671	17780	24129	21577	24694	34236	38719	41396	0	39884	38468	23385	18342	19022	23845	19235	39653	81401	19660	16463	0	17964	28042	Phytochemical	0.53846157	1.2307693	0.0
20	C26 H32 O14	569.18646	569.1873	0.1461501	569.1866	40395	35730	39167	27500	30081	26937	13955	28812	48982	68641	22132	13849	50016	12974	26839	15384	14006	41405	37013	67125	53580	63613	22877	32351	33330	16747	15690	13792	29206	24074	24902	28966	27045	24633	90561	25061	40330	20174	12550	59835	16939	13621	691	0	0	119675	50900	0	30980	19687	33663	34155	19728	0	53736	21558	16855	24599	40834	10466	23285	32695	46573	34748	13339	28192	25496	7356	14634	31876	21775	31841	22832	28592	8274	21106	0	20861	25618	23049	22190	66895	19214	25991	21330	20739	22137	12668	14502	17324	26752	40837	30697	35062	46329	0	38511	35257	26141	18688	18565	22565	19942	24424	72183	20811	19999	0	20415	57394	Phytochemical	0.53846157	1.2307693	0.0
14	C25 H32 O13 N2	569.1977	569.1986	0.1744118	569.1978	19306	20251	15384	18697	7318	10337	11154	23231	11008	18392	5172	9864	15010	4274	23133	19164	8188	17935	19024	23389	15632	41886	21426	20779	25543	3284	13138	0	21988	17103	19648	30895	19102	16689	34416	20536	24708	19191	12233	27617	15774	9052	0	0	0	34919	14254	0	20502	18945	17743	16599	9545	0	26446	6678	5934	27177	41693	10099	21878	20157	12546	12828	3720	11883	10440	9066	0	6990	5581	21524	17447	27224	6891	17878	0	20095	12662	0	12179	17318	14180	11950	8427	9821	15225	9148	10019	19072	13763	25713	36070	13892	17982	0	18640	18033	7291	6637	8860	22367	16167	31674	23919	18142	5668	0	14989	19461	Phytochemical	0.52	1.28	0.08
28	C30 H32 O11	569.2017	569.2024	0.002721784	569.2017	6612	5944	4712	5857	8040	3990	1912	0	11521	19820	10447	0	16606	5932	0	4092	0	7972	6818	10061	12974	6341	3820	0	3404	20739	2210	8423	0	0	1938	0	2892	0	18798	0	2775	2423	0	6022	8647	0	0	0	0	5618	6222	0	2148	0	5420	5923	5319	0	9429	9554	3190	0	1830	1561	0	4770	12341	5766	2433	12549	5241	1286	14222	27592	30912	0	0	0	0	908	0	0	6683	3577	4791	3397	0	5347	13880	4905	6669	3577	2850	2818	2281	4237	3370	7467	12093	0	5873	3811	5906	12020	16485	2250	1308	0	0	0	6369	0	2361	10124	Phytochemical	0.36666667	1.0666667	0.0
22	C27 H36 O11 S1	569.20514	569.2065	0.64250094	569.2055	83914	64052	54764	66959	61289	50179	15302	43476	66807	203523	108597	16169	85612	33575	39776	34335	18582	83955	92834	150663	147972	86576	34623	29296	42038	134252	20615	80383	24450	20315	30445	33815	40886	38471	207244	23714	38960	36343	21748	101032	63252	23375	0	0	0	85390	71690	0	31580	26145	62342	48301	45288	0	77131	60034	23972	36358	40093	21973	28645	69494	90179	48096	27124	75824	38806	23352	125807	207977	177849	30307	24401	15955	20066	15692	0	21205	49025	40349	46427	69388	22805	71949	83232	41008	48634	28917	26368	23458	41777	48020	48209	66790	110499	0	48289	73686	67150	58465	55187	33039	20666	49602	57224	31130	55111	0	20428	87143	Organosulfur	0.4074074	1.3333334	0.0
6	C24 H32 O12 N4	569.2089	569.2101	0.44916475	569.2092	9702	10760	9936	14508	3420	4862	7662	8670	3600	0	0	7026	0	0	14323	16824	6390	7266	8892	11958	979	22200	8694	17970	3798	0	4950	0	8502	10746	7212	0	19674	7146	11231	8616	18186	7764	11658	0	741	5196	0	0	0	0	0	0	14220	9210	16608	10656	6426	0	12918	3012	2214	10338	6066	6624	15174	0	5418	9732	5040	8850	6768	15270	0	0	0	12224	9156	11112	0	9738	0	7578	9330	0	5976	0	4308	0	6702	0	14286	4612	11916	17328	110358	38418	26370	10638	1301	0	0	10938	0	3420	0	21414	11190	0	0	12816	4176	0	0	16440	Peptide	0.5	1.3333334	0.16666667
20	C27 H36 O13	569.22284	569.2237	0.05741386	569.2229	53760	56913	49425	48215	43684	38576	26007	69563	58751	135825	40234	23926	67230	18818	70031	40927	17520	68805	66203	118067	76311	82023	55141	58428	69981	22505	27939	33334	64806	43722	64717	57542	65324	48922	164687	54909	71734	47055	16719	76495	29679	31544	793	0	0	112330	37866	0	55643	41052	58747	51355	33398	0	100503	38896	21402	51147	69747	16656	48519	46763	69284	62449	26536	39875	37648	23032	21819	65401	33834	64255	48408	67013	22474	54337	0	46553	50983	24405	36563	46898	41475	40497	33368	29484	44512	26334	36336	24042	55456	76895	73550	40317	63596	0	71631	63715	34325	29877	21591	57006	31580	56315	54452	53523	31539	0	38125	72229	Lipid	0.4814815	1.3333334	0.0
26	C31 H36 O10	569.2381	569.2389	8.2118E-4	569.2381	32695	29608	28152	26145	32929	18110	5848	20555	42878	53691	46703	14195	57496	25970	16733	17021	13659	37280	39278	61624	52265	26092	22610	19917	19779	85698	6344	41751	15853	10450	10852	10780	21056	12344	68825	11566	19033	14052	10717	41163	46082	15839	0	0	0	30488	25000	0	14751	14281	27238	29612	19626	0	44075	46833	16835	18152	13463	9369	20012	28362	48147	29173	11115	43191	22564	13073	87095	101597	119304	16929	12041	7947	11339	11880	0	12911	33187	11156	25643	19175	11555	37203	53982	25911	23639	11712	18743	14523	22520	18361	25304	23465	21542	0	32675	25708	31455	42654	47215	19961	10141	16184	16364	16343	31781	0	13478	41006	Phytochemical	0.32258064	1.1612903	0.0
20	C31 H36 O10	569.2381	569.2389	-0.006525351	569.2381	75007	64700	74520	59453	58533	35299	36759	52255	65745	120433	100517	35869	79924	50976	49924	54287	44871	55389	73181	132523	132776	69856	49391	61703	42901	183072	33542	81769	41599	37105	44909	48779	55608	41785	158389	40315	61336	41365	44581	105101	95911	32179	1365	0	0	60205	62019	0	50104	48879	69764	70276	48083	0	68661	57686	32710	65550	43121	34849	51666	61348	70204	57386	37315	66615	44649	49176	136205	187743	205119	38376	41324	44319	40251	50556	0	40005	69542	47321	56605	44956	47860	103410	67117	40313	73476	37154	34947	54881	55413	62787	68565	44789	64092	0	63524	59912	59933	64406	57270	52311	31848	60291	41813	50018	57817	0	42355	74929	Phytochemical	0.32258064	1.1612903	0.0
28	C31 H36 O10	569.2381	569.23883	-0.013422868	569.2381	7816	7479	7884	7822	8703	5126	3553	3778	11435	14616	12575	2633	17105	8780	3731	6271	0	9964	15139	12769	16123	7037	6283	5329	3316	27695	2722	12094	4226	3535	3058	4243	6764	4755	18692	2802	8075	3910	3588	10318	12431	5105	0	0	0	6146	5331	0	3680	5152	6535	7037	8030	0	13143	12454	3584	5071	3071	3011	6860	7801	13204	9535	4092	12382	6537	2920	26261	32747	42306	3942	2441	0	0	2916	0	2369	11343	7301	7479	4726	0	7990	18272	5582	9954	3924	3991	4163	4777	8543	6262	8139	8706	0	9760	6555	8756	18473	19854	5710	2117	3589	3672	5566	9351	0	3862	14577	Phytochemical	0.32258064	1.1612903	0.0
22	C28 H40 O12	569.2593	569.26	0.002915393	569.2593	46716	47037	44276	45288	36450	35329	29823	57183	41140	100284	30868	23395	48053	12600	50045	42250	25039	48042	58751	85133	54468	66192	51697	58566	59202	26547	20339	37401	59099	48362	53159	60535	67751	56102	127444	41595	83089	42860	24788	56665	21427	31826	0	0	0	52018	15479	0	54209	41724	38038	36151	32948	0	79061	31669	20204	53241	52402	17917	53776	33395	46841	37349	14452	47176	35297	22250	20064	54864	34198	50253	52333	48857	20033	50863	0	46521	34914	15278	38049	27222	34395	25290	29757	31351	27871	25075	33721	29368	58732	79564	66386	18415	55856	0	39027	51693	22987	24398	18034	57016	31567	55820	27239	42538	25732	0	38676	44337	Lipid	0.42857143	1.4285715	0.0
18	C28 H40 O12	569.2593	569.26013	0.10572582	569.25934	26983	29631	24768	31270	11566	16057	24181	30744	16329	39271	20809	19603	21363	9838	29109	33112	25024	18711	31396	31688	28434	23096	30638	36416	26187	13507	17932	18516	39563	30370	30055	34668	37975	29878	45339	47576	32935	20827	24802	25196	13986	16939	614	0	0	20417	12577	0	38938	29043	25888	28135	13142	0	37019	16037	14247	33756	32344	12418	33574	15527	20969	18397	11787	24018	16301	26226	10795	18439	12926	27120	27154	31849	28810	32521	0	19695	26567	10362	24154	10538	28373	16889	15971	15013	32578	13612	14471	21094	30936	32344	33449	10371	15447	0	30937	26472	10392	18104	14972	40881	17931	39374	14479	27166	14105	0	23671	15583	Lipid	0.42857143	1.4285715	0.0
16	C28 H40 O12	569.2593	569.2603	0.3068592	569.2594	18172	13055	14196	11937	6950	7009	11402	17384	7596	11628	9362	12084	7072	2767	8671	18754	14509	7196	11323	18289	15032	13677	11697	12897	12618	4933	16320	5761	18128	21852	19423	17163	25510	12731	14112	19481	15388	11305	14653	9504	6822	9240	0	0	0	6405	6480	0	22125	16732	10535	12547	7312	0	10843	7625	4670	14646	11263	10253	24893	5956	6419	8727	5132	6851	7639	17720	6460	9699	8557	18404	16119	23564	18702	14268	0	12289	14102	6134	11451	7182	15494	7126	7361	6394	14195	3954	5437	0	18937	16133	0	7844	9195	0	12621	15096	3707	7248	8537	23148	10521	18528	5574	0	7292	0	13298	7897	Lipid	0.42857143	1.4285715	0.0
20	C28 H40 O12	569.2593	569.2601	0.02903059	569.2593	41663	37008	34925	35668	22848	21459	21418	52224	34784	67805	33773	21436	39565	16930	49122	44535	19538	39309	50048	62651	50752	42877	36065	41651	39875	19032	25470	30358	54736	44524	48940	49522	60324	36547	95229	53744	61476	36785	22658	40689	17270	21496	536	0	0	39784	11765	0	44296	38757	42578	44219	24097	0	55248	25175	19387	39991	50464	12169	43641	25353	42848	39537	14845	31146	25540	22029	18215	37373	24534	37106	41151	44213	25510	37855	0	40951	36590	16611	36812	18811	34733	27382	25798	23509	33144	15338	27676	21312	46651	57749	55750	17558	35005	0	42432	39689	23411	23063	22510	42233	27369	57439	25141	35997	23797	0	29562	33790	Lipid	0.42857143	1.4285715	0.0
14	C23 H45 O12 S1 Na1	569.2602	569.2614	0.32439986	569.2604	7353	9226	6745	5524	1733	2253	9427	7974	1982	3800	0	9923	1337	0	8189	10221	9761	1490	3015	7488	7889	4005	4184	9304	8767	2379	6155	0	8202	14973	7759	18300	9245	7365	5143	12599	6924	6961	9117	2790	3752	3179	0	0	0	3102	4246	0	15051	7764	5013	6040	2674	0	2647	2098	1469	11121	6854	6824	0	0	2587	3663	4180	2134	4254	10127	0	3331	3593	7541	9367	10330	12839	9667	0	5307	6232	0	6503	4267	5195	2287	3110	2371	4215	2730	6652	9947	23315	6271	10875	0	4703	0	11463	7345	2100	6842	2461	10665	4934	14116	0	3314	2505	0	8221	3621	Organosulfur	0.5217391	1.9565217	0.0
28	C32 H40 O9	569.27454	569.2752	-0.06190599	569.2745	9641	8440	8908	9679	12882	5229	6737	8555	12458	11423	13902	3927	17618	8834	5908	6795	5634	7080	15126	16508	18966	8481	9317	10326	9102	35464	5532	16195	8354	7811	7655	4949	12246	7137	16187	8264	10033	5364	8273	14549	12417	5920	0	0	0	7286	6164	0	8209	7757	8213	9534	8353	0	19191	21882	6459	8182	6597	3520	9756	8202	11961	11885	6146	12918	8266	7928	33152	31218	41746	5419	4957	6806	3445	5441	0	4113	15129	8847	10226	6758	5501	11618	18603	7177	15012	4803	6983	8488	8982	10613	11810	7547	6976	0	10545	9440	9476	26248	26927	8985	5176	6903	5169	8788	10764	0	6189	10054	Phytochemical	0.28125	1.25	0.0
18	C32 H40 O9	569.27454	569.2753	0.005524289	569.27454	21274	17327	16280	15979	5905	4511	15031	24076	6598	10292	13666	11701	8597	4347	15587	14099	60927	5919	11244	12963	14063	11600	11399	13111	12736	17404	13420	6769	11855	16668	10743	19653	19737	0	11486	12401	11072	12090	79163	9576	16828	8126	0	0	0	7093	9429	0	18687	18167	12786	15189	8450	0	13547	10089	6365	13083	10845	14045	12415	6979	8834	9667	6442	7649	8822	49720	14643	14183	22403	6648	8838	11859	29493	16431	0	10162	22206	9276	20966	9536	12849	10434	7779	8092	14770	5742	9114	25710	14910	14515	15685	3828	5881	0	18108	12692	4749	8128	12473	20839	11412	11356	4375	11341	6439	0	13556	4624	Phytochemical	0.28125	1.25	0.0
4	C28 H44 O8 N2 S1	569.2891	569.28986	0.2458618	569.28925	0	0	0	0	0	0	3186	0	0	0	19991	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	12974	8167	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	68607	0	0	0	1199	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2857143	1.5714285	0.071428575
8	C33 H44 O6 S1	569.29315	569.29315	-0.29347354	569.29297	0	890	887	1060	0	0	0	0	0	0	949	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1683	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	949	1150	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21772	0	0	0	0	0	0	0	0	0	0	141321	44616	0	1298	0	0	934	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.18181819	1.3333334	0.0
22	C29 H44 O11	569.29565	569.2963	-0.063718185	569.2956	16766	11841	14170	12542	4203	6264	10275	19736	8983	10649	7929	8403	12899	7819	13517	14156	7782	11466	19494	16592	8945	9500	9771	14092	16542	5237	9254	7193	27292	28326	19664	28925	17946	20014	19141	21057	25943	11990	7720	9901	4042	6589	0	0	0	12700	3991	0	28953	14783	16871	15335	5599	0	23989	11544	6580	17688	16738	4785	17787	8168	12895	11091	6556	13126	9431	11638	1965	9795	5004	15599	18273	18036	12242	17328	0	11774	12276	4841	9792	6852	17419	7402	7906	7923	10937	6014	15344	12146	17185	16730	13466	6645	6084	0	10315	12594	4615	7620	9988	18813	9698	53082	5307	13874	4665	0	11018	9957	Lipid	0.37931034	1.5172414	0.0
16	C24 H49 O11 S1 Na1	569.29663	569.29755	0.26350775	569.29675	1923	0	0	3219	0	0	2489	1673	0	0	0	1348	0	0	1514	2311	5722	0	0	0	0	0	1462	2071	1359	0	2243	4265	2888	3051	3105	0	1684	0	0	2293	3266	1407	3939	0	0	0	0	0	0	2836	0	0	1847	1288	0	0	0	0	0	0	0	1991	0	0	0	0	0	1130	1249	0	0	2706	0	0	0	1723	2205	5009	4443	2772	0	0	0	0	1894	0	1742	0	1631	1870	2430	0	1122	0	61681	9707	0	0	0	0	2415	0	1149	0	0	6336	2641	2131	0	0	0	0	1189	0	Organosulfur	0.45833334	2.0416667	0.0
20	C33 H44 O8	569.3109	569.3117	-0.00439003	569.3109	6958	8498	11527	5687	3409	3478	10760	6722	5484	0	3754	6162	4252	6135	5275	9899	15492	2437	3401	4095	4248	4625	5082	5005	7993	7483	8546	6263	7003	9928	6193	7541	8397	6449	3577	12047	6219	6726	19071	2217	7966	3931	0	0	0	4833	3743	0	9332	6588	6851	4347	3034	0	8109	8637	3212	13586	4302	6688	6725	2633	3679	5535	6134	3960	6312	23716	2370	3483	8149	2136	4396	8386	18775	7314	0	5422	10076	4958	7355	2497	8022	0	4749	5717	14082	2754	4122	21190	4863	6128	10791	2694	3548	0	6599	5711	3596	12735	13357	10985	7517	7622	2293	6390	5894	0	12280	3209	Lipid	0.24242423	1.3333334	0.0
14	C30 H48 O8 S1	569.3143	569.31525	0.2226754	569.3144	438318	471891	464676	428307	5127	33123	672534	77151	26496	216390	550149	155733	23994	57570	24894	67362	579381	0	0	111762	34752	1538529	44604	296985	3945	14301	217581	12619134	52650	6729	10701	39210	28416	18240	20736	10490	5205	316281	494993	78960	1451076	3396	94401	2160	882	73551	604290	3645	21930	86991	434064	468342	0	8280	7518	6561	5007	442095	3802974	2514156	2998917	2451936	150468	22707	8286	16989	52656	55971	14075787	956943	115875	29268	7695	8646	84258	18072	1824	36822	11454	10925628	0	24672	5733	2898	4800	0	0	6669	4146	1314813	86901	231603	27600	1061118	66396	3741	480876	171801	431628	5184	18126	256581	40482	225075	379686	6039	23895	4641	0	59049	Organosulfur	0.26666668	1.6	0.0
14	C29 H48 O9 N2	569.34326	569.34454	0.23146045	569.3434	0	0	0	0	0	0	0	0	0	0	8777	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2050	21172	11068	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2511	0	0	0	17449	0	4355	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.31034482	1.6551725	0.06896552
28	C34 H48 O7	569.3473	569.348	5.93513E-4	569.3473	7768	7530	7469	6744	4098	2973	13785	11658	7880	2290	8120	5855	7933	4787	8135	11022	13683	3371	9349	7431	4025	3545	9526	8393	13274	15309	12164	12948	14100	13300	9318	12704	15088	6753	3990	17196	9623	9249	12145	6436	5042	4305	0	0	0	4675	3722	0	9679	11524	9332	8232	6003	0	13093	15437	6727	14997	9997	3099	10727	5257	4677	8552	5596	6781	6722	16577	11446	8605	6427	4212	6363	14024	4148	8100	0	6296	15121	8529	6440	6034	9829	9895	17441	8109	21633	3183	5259	15325	8484	11387	11200	6925	0	0	8796	7106	6881	32234	39784	18879	4403	11510	3801	11207	14888	0	8343	2557	Lipid	0.20588236	1.4117647	0.0
24	C34 H48 O7	569.3473	569.348	0.019897625	569.3473	12935	11111	10815	11908	4938	2691	10234	11142	9701	2115	8368	8608	4038	7231	10794	15266	27434	3438	7919	5310	5467	4340	6805	11644	11999	8491	14726	9121	9637	14101	8083	13301	11794	6974	2967	16104	12257	14424	33017	7803	10160	5796	0	0	0	5027	2367	0	11250	10782	11714	9436	6709	0	13538	17609	13703	13832	9261	7241	10995	3858	5326	10246	7058	5682	9168	35958	6985	7101	10688	4631	6060	15577	17955	12011	0	7004	22697	8164	10514	5452	13957	5666	14361	13183	25597	4899	8928	25658	10255	10149	10839	6767	3136	0	9248	13052	6427	24105	27252	18508	7195	9669	4520	11177	10107	0	15853	2672	Lipid	0.20588236	1.4117647	0.0
18	C23 H23 O16 N1	570.10895	570.1098	0.1734419	570.1091	8537	5722	5993	4460	14970	6263	1680	0	22727	0	3740	4007	39086	4366	4760	1578	2198	21628	23001	3362	5803	17921	7585	3346	0	0	1129	0	0	0	1329	0	0	0	5953	0	3177	1373	1370	1841	10243	5950	781	0	0	19724	53147	0	2510	0	5311	8177	13349	0	28702	24864	6993	1845	2876	2439	0	6049	40551	20520	7282	11797	9619	0	0	0	0	0	0	0	0	0	0	1584	4115	18818	6226	20355	0	1694	32154	8886	4030	6089	7010	0	2974	2889	4562	56644	12469	0	5777	8418	19128	16602	25573	2083	2190	0	34424	0	18947	0	0	28262	Phytochemical	0.6956522	1.0	0.04347826
12	C23 H23 O16 N1	570.10895	570.11017	0.3131562	570.10913	3596	0	0	0	6222	1713	0	0	7014	0	0	1412	13968	931	0	0	0	4519	8086	1925	4425	4324	1439	0	0	0	0	0	0	0	0	0	1760	0	2270	0	0	0	0	0	0	2256	0	0	0	4976	27222	0	0	0	1719	1943	3214	0	7882	11010	3090	0	0	0	0	2698	11174	7978	2019	7747	1643	0	0	0	0	0	0	0	0	0	0	0	1593	0	0	5394	0	0	11787	3320	0	2080	2423	0	0	0	0	13010	0	0	0	3857	8605	9562	12220	0	0	0	0	0	7126	0	0	11473	Phytochemical	0.6956522	1.0	0.04347826
28	C23 H23 O16 N1	570.10895	570.1097	0.059431486	570.109	3738	3474	3322	3026	4509	4460	913	0	7978	4238	1245	0	15781	2363	0	0	0	8246	6043	4497	9471	8787	0	0	0	0	0	0	0	0	0	0	1295	0	5702	0	0	1232	0	3149	4646	0	0	0	0	13792	37951	0	0	0	3500	2712	3553	0	8923	5770	2204	0	0	0	0	4720	11211	5531	1281	4850	1621	0	0	1511	0	0	0	0	0	0	0	0	0	6078	1147	13971	0	0	6586	0	1163	0	1531	1332	0	0	0	7671	0	0	4461	2824	8314	3020	1983	0	0	0	30374	1167	5548	0	0	15260	Phytochemical	0.6956522	1.0	0.04347826
26	C23 H23 O16 N1	570.10895	570.1099	-0.013097525	570.10895	2496	3419	5038	3563	4589	4568	0	0	6844	4661	0	0	13958	0	0	0	0	7915	4084	5311	5384	8243	0	0	0	0	0	0	0	0	0	0	0	0	4911	0	0	0	0	2360	3363	0	0	0	0	19131	42302	0	0	0	3676	3630	0	0	8613	6341	0	0	0	0	0	3713	11182	5956	0	4976	2176	0	0	0	0	0	0	0	0	0	0	0	0	6439	0	16042	0	0	6128	0	0	0	0	0	0	0	0	8850	0	0	0	0	5400	4200	0	0	0	0	28570	0	6139	0	0	15137	Phytochemical	0.6956522	1.0	0.04347826
14	C23 H23 O16 N1	570.10895	570.11017	0.26631764	570.10913	4833	5138	0	3619	11670	3774	0	0	15436	3907	2749	2318	29190	2646	0	3163	2469	15361	14551	0	7411	17635	5124	0	0	0	0	0	0	1735	0	0	0	0	6774	0	1546	1527	0	4486	5667	3648	0	0	0	12650	42811	0	0	0	4933	3680	4959	0	12964	17652	4648	0	0	0	0	3096	28464	16805	5188	14520	4687	0	0	0	0	0	0	0	0	0	0	0	3261	0	2138	11386	0	0	19527	6362	2053	3799	3334	0	0	0	2004	19747	10493	0	3279	4026	14742	19449	21510	5277	0	0	27749	2902	20973	0	0	25093	Phytochemical	0.6956522	1.0	0.04347826
24	C23 H23 O16 N1	570.10895	570.10986	0.13330859	570.109	3751	1936	2192	3138	6171	3453	0	0	7138	3065	2021	1167	16135	1868	0	0	0	12818	8956	2683	2918	6637	0	1285	0	0	0	0	0	0	0	0	0	0	7328	0	0	1153	0	1525	3897	0	0	0	0	14798	36349	0	0	0	4034	3045	3351	0	9142	6221	1835	0	1164	0	0	2868	10829	7338	1573	4286	1890	0	2114	0	0	0	0	0	0	0	0	0	0	8490	870	15601	0	0	9359	0	2303	1495	2783	0	0	0	0	7995	5349	0	3245	4122	6729	5382	5054	0	0	0	25638	1432	6351	0	0	13579	Phytochemical	0.6956522	1.0	0.04347826
16	C23 H23 O16 N1	570.10895	570.11	0.0922529	570.109	6469	4249	5223	4406	17321	5461	0	2033	21705	1955	6554	1663	41466	2435	4241	3064	2024	22371	24424	4591	10804	21396	3348	0	1424	0	0	0	0	0	1524	0	0	0	2622	0	0	2206	1529	3392	5746	5058	310	0	0	19956	61112	0	0	1729	6724	4635	12083	0	23369	23012	6710	0	1891	1744	0	5524	30868	18168	5940	15573	7289	0	2473	0	6329	0	0	0	2097	0	0	3352	5165	15771	4530	19015	0	0	29524	10901	3860	4151	4771	0	0	0	0	24626	9774	0	6770	11774	19616	21228	29579	2484	1517	0	39571	0	25052	0	0	25934	Phytochemical	0.6956522	1.0	0.04347826
22	C24 H27 O15 N1	570.1453	570.1462	0.10669675	570.1454	11067	7026	6767	7844	7657	12845	2208	6075	14597	9938	3193	1412	24485	0	4194	4945	3112	22545	12678	15739	19133	23015	7114	3102	1217	3640	2659	3678	2326	1739	4961	0	4065	0	8844	2421	3402	4732	3021	13500	10823	4830	0	0	0	77791	112725	0	4968	3184	6298	8995	11029	0	22057	12333	4966	2409	4290	2301	3575	18574	11912	15625	5055	12854	6854	1639	8302	7248	7127	2328	2695	0	1914	2436	409	3911	2061	18961	4243	61209	1280	4973	16897	11136	3612	2776	6425	1878	5257	6231	3986	18585	22935	0	7370	14483	15711	9516	6983	4681	2252	3625	92035	3439	15413	0	1251	30228	Phytochemical	0.625	1.125	0.041666668
14	C24 H27 O15 N1	570.1453	570.1463	0.17296268	570.14545	31959	26542	27599	24458	29398	23958	6946	17732	34739	29016	19280	13775	66511	14997	13182	15304	14382	50894	49348	39474	47241	73831	24593	16832	7402	3626	8727	9766	12052	11694	10489	9030	19394	8521	48219	12788	16994	13953	12130	22963	35868	18220	0	0	0	100549	175420	0	8992	12760	23297	21984	21186	0	57014	35104	13904	15025	18590	14043	0	33083	66788	34882	14032	36475	19937	12684	0	9434	23296	9916	10896	11843	8837	13458	0	12739	17380	61542	18375	74752	6591	14171	44529	27547	16262	18910	20382	5837	3876	15058	24841	67528	55826	0	23340	30827	32420	30326	43899	22049	12782	20192	140453	12885	37949	0	9218	47044	Phytochemical	0.625	1.125	0.041666668
26	C24 H27 O15 N1	570.1453	570.1462	0.10979964	570.1454	3278	3470	4353	2766	4003	5486	0	0	5366	7026	0	0	7526	0	0	0	0	11864	5374	12842	14276	9578	0	0	0	0	0	0	0	0	0	0	2314	0	9820	0	2537	0	0	6250	4378	0	0	0	0	51378	62727	0	0	0	3691	3771	4477	0	7597	0	0	0	0	0	0	12297	4184	5784	0	4814	0	0	0	4832	0	0	0	0	0	0	0	0	2814	6666	0	32913	0	4279	7465	0	0	0	0	2137	1847	0	0	7053	10889	0	3164	8170	5752	3284	0	0	0	0	43900	0	5309	0	0	9081	Phytochemical	0.625	1.125	0.041666668
12	C24 H27 O15 N1	570.1453	570.14636	0.25010875	570.1455	13868	19277	14001	17213	24067	10096	7674	12712	26505	15532	12935	9154	43738	4481	12826	10783	12545	29549	30253	16644	37249	42715	16839	9598	3454	2036	4744	0	7224	7038	5476	6671	12244	3810	28928	7134	7181	10384	9139	11041	33484	15847	299	0	0	53989	110170	0	6793	8675	15359	16089	14762	0	36153	20874	9914	7762	7434	8256	0	16457	39480	24924	9276	23504	11108	8854	0	4031	9478	10584	6733	6422	9397	5718	0	8149	14418	30255	9288	34439	4100	3308	33508	14160	13937	8312	9206	10283	2702	11134	11853	45496	33723	0	16977	22505	28910	37938	30113	11163	10936	8019	70742	8515	23878	0	6619	32434	Phytochemical	0.625	1.125	0.041666668
28	C24 H27 O15 N1	570.1453	570.1462	0.100783885	570.1454	4215	4320	4447	4950	4002	4612	0	0	4859	11405	3220	1289	8191	1326	0	0	0	6522	4875	12892	14811	9031	2316	1801	0	0	1689	0	0	0	1054	0	0	1077	10404	0	1353	0	0	8311	6693	2576	0	0	0	34512	57581	0	0	0	4617	4332	4070	0	5348	2273	0	1567	1129	0	0	8947	5700	2992	1457	2647	2188	1092	4700	7096	6579	0	0	0	0	0	0	1851	1019	7357	1054	28959	1074	3738	4448	2013	1848	1911	1362	0	1405	3550	0	8745	8167	0	5603	4021	5537	1937	2571	0	1465	0	39705	2055	3988	0	0	7575	Phytochemical	0.625	1.125	0.041666668
10	C24 H27 O15 N1	570.1453	570.1465	0.31149003	570.1455	16254	20553	13362	16083	20604	10824	4896	5721	39918	19524	18456	15390	45075	8781	9351	0	11499	26727	46545	16146	49395	40650	16395	15780	6450	0	12405	0	7239	12090	8169	6327	15315	6990	43230	9213	11982	8232	22137	16329	38820	16854	0	0	0	52800	105084	0	8985	10920	21696	26790	20160	0	39453	35337	12534	14040	7449	18255	0	18327	57234	39663	9483	32481	13644	13380	0	0	12153	7020	10971	8670	19848	13167	0	9456	23499	34221	16794	37119	5976	6258	60510	22581	15243	15144	9423	16635	0	0	9168	53352	56220	0	17049	24423	36711	31614	41778	14307	6804	14019	110511	10869	22902	0	5520	36105	Phytochemical	0.625	1.125	0.041666668
16	C24 H27 O15 N1	570.1453	570.14624	0.13718969	570.14545	33533	34012	27968	29898	34346	32379	10375	16706	54457	36881	19097	13362	92689	19155	23426	16614	12860	71222	66086	49801	64244	74591	30537	19055	10617	6583	8423	7209	15842	11022	13638	10502	18398	10226	46818	10031	17092	16554	10914	31133	34164	23108	919	0	0	131871	199743	0	10907	17664	33842	31951	31148	0	58199	44435	20074	12700	22553	11813	16308	33007	78391	41759	17103	42563	23589	8302	20642	11826	31982	15468	10955	14172	12359	9902	0	16996	21875	66985	16965	107554	7434	12128	55106	26580	15792	17561	18686	0	8387	18947	33627	73986	75514	0	26715	40391	33909	29572	39100	20014	12374	16056	178589	18565	44228	0	9528	63281	Phytochemical	0.625	1.125	0.041666668
14	C23 H27 O14 N3	570.15656	570.1574	-0.100779586	570.1565	0	14811	11334	0	9963	12546	0	13724	17727	20028	5724	8567	15389	5559	7887	0	0	12528	10944	10896	17712	39837	9466	0	3930	4122	0	0	1347	0	8249	0	10728	6967	21969	9050	10289	0	7899	9369	0	7113	0	0	0	31488	48561	0	6705	2434	0	9405	8415	0	6060	8691	4707	0	0	0	0	9408	16884	14679	2681	13749	6850	2019	0	6240	6414	1439	5106	7260	2701	9688	0	5167	10695	0	10605	33333	0	0	13149	0	6021	0	8334	4543	0	3819	8099	27174	27987	0	3205	7878	8955	10133	3204	12183	6358	10935	49563	0	9516	0	4689	21473	Unclassified	0.6086956	1.173913	0.13043478
26	C28 H27 O12 N1	570.1606	570.1615	0.037734713	570.16064	0	3129	3249	3772	0	3528	0	0	3798	21319	5863	0	8610	0	0	0	0	7109	0	9963	8610	12197	0	0	0	4665	0	3114	0	0	0	0	0	0	16442	0	0	0	0	7426	4273	0	0	0	0	8488	9636	0	0	0	2651	2522	3426	0	5997	0	0	0	0	0	0	4215	7512	5568	0	4423	0	0	6251	8985	13496	0	0	0	0	0	0	0	2100	5439	0	4688	0	4526	6735	0	2604	0	0	0	0	2545	0	9871	13552	0	2647	0	0	4627	0	0	0	0	7018	0	0	0	0	6711	Phytochemical	0.42857143	0.96428573	0.035714287
24	C28 H27 O12 N1	570.1606	570.1614	0.09947236	570.16064	4652	6011	4420	7273	6953	4899	0	1857	10574	32386	10506	1605	8735	3130	2479	3175	0	11770	7687	12028	13141	11932	2514	0	1610	11259	1331	5133	1444	0	1826	1155	0	2117	27449	0	0	1208	0	7585	10551	2253	0	0	0	14964	17871	0	1470	0	4370	4020	2315	0	11133	3923	1981	1567	2296	0	0	8095	13934	7565	2142	6365	2521	0	10619	15957	11073	781	0	0	0	0	0	1323	2939	10923	3404	9407	0	6555	9540	4186	3171	1876	2258	0	1887	3428	3533	14300	24539	0	5653	6864	7108	6734	8786	1635	868	2269	11417	1400	6111	0	2624	10261	Phytochemical	0.42857143	0.96428573	0.035714287
20	C28 H27 O12 N1	570.1606	570.16144	0.038863555	570.16064	12607	12096	11230	13460	13583	10716	0	2368	12833	69118	29953	2164	23250	5533	2941	3381	2858	17450	18069	35520	40680	35505	5725	5544	5088	27714	1870	20896	3239	0	4629	1370	4139	2809	78999	1355	7192	2392	1382	22445	21893	4514	0	0	0	28163	25883	0	3461	2871	11691	8496	10209	0	21790	13631	6020	4966	4968	1852	2801	21147	26972	12389	5229	12073	8730	0	24091	34768	26366	1535	1914	0	2345	0	0	2090	8836	28253	3187	17578	0	21646	10603	8750	6937	3132	7411	4305	7924	12476	7282	33875	45024	0	12059	14025	15392	13535	11299	4729	2101	3771	19213	0	12453	0	2651	17371	Phytochemical	0.42857143	0.96428573	0.035714287
22	C28 H27 O12 N1	570.1606	570.1614	0.039166622	570.16064	11813	12637	11372	5931	12440	6962	1644	1451	9888	52426	23555	1360	19158	0	2256	0	2215	19304	12607	30680	28767	25362	3283	3142	1870	16013	2075	14227	1856	0	1746	0	2721	1858	61828	0	3403	2899	1499	20167	15303	3699	0	0	0	23595	27089	0	1267	0	8761	8517	7031	0	13983	10520	2834	3019	4396	2199	2420	17456	22846	16230	4819	12645	4268	0	18189	25904	20112	0	0	0	0	0	0	1778	4970	16556	3677	17456	2534	15372	16119	8084	4724	2802	2974	5719	5311	8220	4907	29763	44649	0	5685	9237	11703	9739	8364	3997	1220	3034	20805	3347	11586	0	3410	22677	Phytochemical	0.42857143	0.96428573	0.035714287
28	C25 H31 O14 N1	570.1817	570.1826	0.19863245	570.1818	5242	4252	3359	2831	4130	5101	1296	0	4700	13807	3045	0	6231	958	0	2796	0	4286	5121	15221	15590	3849	2460	2583	0	3961	0	1974	0	0	0	1969	0	2058	9432	2335	0	1133	0	8937	6600	2840	0	0	0	27601	27445	0	2674	0	4428	4300	2330	0	4039	2314	0	2145	2798	1115	1820	7903	4963	3084	1840	4739	1828	1445	6224	11760	6992	2172	1545	3884	0	0	0	1761	2008	2685	2001	16856	1675	5304	4347	0	1191	0	0	1311	1709	3313	3904	3853	6794	0	2991	4538	3583	1820	0	3118	1466	3004	20322	1884	3382	0	1167	4636	Phytochemical	0.56	1.24	0.04
18	C25 H31 O14 N1	570.1817	570.18256	0.07460883	570.18176	73721	69542	59711	59744	70900	58509	33218	64471	84342	114645	46269	28989	134228	35609	64090	49715	26289	119306	125540	149518	135528	111121	59176	71983	47149	49147	31731	31857	79320	56337	59060	53055	56123	45770	130534	61455	58924	42899	21594	119257	61927	39210	2442	0	0	331664	244544	0	53875	54979	69990	58920	54466	225	122752	63309	31764	46628	57798	21773	54357	89876	106035	69038	30634	62909	42240	24511	49131	73379	55243	54539	46921	60975	34959	52573	0	45917	48382	70753	36267	212964	36811	56368	79329	51917	39395	32588	42857	17616	44812	54958	65456	82704	119008	436	70925	79794	65586	41729	49563	57224	35041	63031	216002	37211	65220	0	35156	99739	Phytochemical	0.56	1.24	0.04
12	C25 H31 O14 N1	570.1817	570.18274	0.16605833	570.1818	24440	25549	21929	21234	17729	11722	12855	38556	20696	37937	28547	15109	32114	6920	20079	18429	21518	29040	32577	55574	41845	43057	27846	36246	12684	14821	9637	17506	24945	24843	24380	21126	32278	23077	61791	26710	17192	21558	19754	35807	44233	16555	336	0	0	75869	110667	0	20381	26608	25362	29210	17142	0	34490	23243	14063	21705	28755	20447	27165	40148	33734	27848	11299	20269	14196	27660	20678	21570	25446	23618	25785	23105	17092	20662	0	17447	22725	31053	21799	47340	17024	23658	20406	17224	22172	11285	15778	28700	13203	17058	35960	37414	41743	0	28579	33524	25710	16441	22513	30294	19115	33146	115299	19229	25901	0	13162	30627	Phytochemical	0.56	1.24	0.04
10	C25 H31 O14 N1	570.1817	570.1828	0.28795066	570.1819	12993	11013	11173	10964	8080	5473	7802	12899	7995	18871	13298	5799	17886	3390	7478	12093	7769	10803	14148	24389	23604	20743	7400	13625	5389	6381	9011	4908	9417	9395	7062	8932	11909	9556	27211	10688	9582	7174	12182	20535	18791	8240	0	0	0	25611	35765	0	11874	12388	14183	13314	5103	0	12260	7759	6010	8916	7134	11868	14149	14173	10560	9817	6031	10047	6888	9150	0	4824	6800	8869	6623	9245	10411	11328	0	6588	12962	10576	8844	14334	7464	10492	12188	5907	7967	5571	4653	8512	5112	7059	11269	15781	20188	0	12115	16564	6192	8024	10726	9915	4987	13964	30549	10594	9700	0	6860	12575	Phytochemical	0.56	1.24	0.04
16	C25 H31 O14 N1	570.1817	570.1826	0.099053934	570.18176	80573	80221	71835	74569	69483	48256	35441	81408	87768	122069	53091	39104	114608	24940	66680	60307	35960	129976	117354	168423	131290	114519	70467	72872	51785	48918	30950	34871	70919	69852	68242	63520	59899	48817	164059	69543	65038	47492	33179	108374	70094	46945	1721	0	0	306160	264741	0	52464	66028	66317	67779	44251	233	117023	53629	35753	50375	76937	28048	72261	79219	103734	62043	32663	69455	48976	31390	58153	68902	59008	70377	53837	77226	42358	50235	280	40625	46412	80305	42611	173427	40660	65085	72023	49761	38769	35557	41496	30087	39372	61139	97907	89201	141071	477	71417	92405	64281	40132	49365	71454	37361	84391	247065	57738	61488	0	38381	92551	Phytochemical	0.56	1.24	0.04
22	C25 H31 O14 N1	570.1817	570.18256	0.121579714	570.1818	22421	21476	26066	23023	23408	23609	5433	15590	27968	41726	9868	8385	42566	8065	18297	10400	8517	53227	31662	47715	52487	33284	20593	16000	15416	22390	7215	9496	15047	10997	13988	9836	16469	17605	39458	13349	13120	12556	5822	37089	21200	12125	0	0	0	147944	119315	0	15068	15852	25582	23184	19036	266	46218	25433	8760	11869	15405	8581	11994	33947	31021	26958	12362	17367	14565	7033	22323	25774	17879	14187	15110	18790	6562	11079	326	12698	11312	19981	13851	83112	8980	22355	28387	16108	12038	5959	5912	5202	11641	17473	15316	25278	40349	0	22148	30140	21729	13302	17037	15780	12870	17381	120601	12465	25874	0	7234	39808	Phytochemical	0.56	1.24	0.04
26	C25 H31 O14 N1	570.1817	570.1825	0.073035076	570.18176	7175	4491	7469	5509	4243	5577	0	0	4430	17487	0	0	13823	2257	0	0	0	13690	6593	19033	16872	6550	0	5298	0	0	0	2226	0	0	2670	0	1670	2321	16664	0	2303	0	0	13579	5569	0	0	0	0	37598	42215	0	2334	0	4700	5251	3607	0	10047	6381	0	3274	2547	0	0	9213	5413	4006	0	3878	2722	2449	0	13294	11138	3645	0	0	0	0	0	0	2785	5481	2565	27418	2245	4548	5743	0	2825	0	0	0	2898	5100	0	3827	7121	0	5313	6106	5426	3234	0	0	0	5493	27959	2677	5092	0	0	7802	Phytochemical	0.56	1.24	0.04
12	C24 H31 O13 N3	570.193	570.194	0.3879017	570.1932	10571	10660	14576	2776	5021	3989	10636	15004	13593	20505	3115	8169	11563	3214	17552	7940	0	12092	10090	19775	15965	19336	10759	10302	9487	6790	5118	0	17218	9826	11564	10152	21020	15372	31013	10274	17572	9072	14764	14893	7687	6578	0	0	0	20571	0	0	8214	10730	8482	10206	8204	0	16848	5034	7778	18168	22112	0	0	3878	15538	8889	6024	13728	8214	13152	0	13580	9958	13234	9820	5840	8572	5476	0	15662	10434	0	13190	6096	8693	6382	6357	8173	14570	8314	9176	21456	9936	17492	30599	14720	12721	0	0	12406	0	5074	3925	16220	8574	10166	0	12236	5474	0	10125	14656	Phytochemical	0.5416667	1.2916666	0.125
24	C29 H31 O11 N1	570.19696	570.19775	0.037296392	570.197	9856	6279	6773	5952	6998	8094	0	2845	11977	32620	16795	1759	9368	4864	3343	2339	2459	11661	10460	22317	22113	12924	3547	3954	3734	26238	1166	11834	2759	0	2041	0	1370	1561	36590	2146	4927	3185	3452	24927	12364	2999	0	0	0	15765	12484	0	3367	0	6409	6925	6421	0	11514	6038	2231	2604	5683	2051	3327	11672	11524	8980	0	5076	3550	1610	19782	25939	32376	2688	1902	0	0	0	0	1713	3925	5087	2719	10001	2529	11519	10707	4176	4671	3847	5138	3468	2502	6287	4647	16968	20419	0	5097	6657	7951	7092	5670	3313	1267	4474	9206	4507	8259	0	3710	10165	Phytochemical	0.37931034	1.0689656	0.03448276
12	C26 H35 O13 N1	570.21814	570.2191	0.16697301	570.2182	20607	21834	19409	21391	13537	6335	16834	35954	12799	28632	10273	16513	14954	5192	18988	23727	22663	19456	22293	37512	32497	30390	21677	22422	18575	17468	13223	0	28184	24021	22220	22873	29462	18119	41727	22389	21935	16772	20858	24775	25257	14188	0	0	0	46436	40627	0	15575	21929	20590	15565	10817	0	23555	12282	7145	21832	30032	24290	24943	21620	15911	15459	5846	11461	10378	24251	0	21893	16304	17766	17271	22497	15303	18327	0	16374	17167	16576	14482	20342	17161	17784	14874	8316	17579	7848	12069	20383	14804	17271	30172	12741	19051	0	26320	30459	13667	8767	10672	24343	13213	26880	46447	19144	12773	0	16879	12870	Lipid	0.5	1.3461539	0.038461536
26	C26 H35 O13 N1	570.21814	570.2189	0.0661863	570.21814	7814	5166	7444	6612	6895	7737	0	6547	6261	21390	3436	4151	12423	2950	0	0	0	13401	9325	18328	23710	5630	5121	6393	0	0	1851	4254	0	0	5141	0	4470	4404	17753	0	5820	3100	0	9523	6033	0	0	0	0	26655	21202	0	5757	0	8742	5009	4294	0	9310	6880	0	4503	5935	3687	5030	6934	11601	7346	0	4247	3411	0	6630	23267	6895	6437	5526	0	0	3478	0	4179	3083	0	5396	12511	3112	6193	7076	0	2437	0	0	1757	4403	7365	7143	4399	8170	0	5994	5442	5795	3631	0	6726	0	0	17368	3567	0	0	0	9132	Lipid	0.5	1.3461539	0.038461536
10	C26 H35 O13 N1	570.21814	570.21924	0.33748406	570.2183	8305	10566	6075	8871	4862	3651	8100	11231	6226	15776	4999	5243	9405	1839	8102	8846	9171	7655	8093	20873	12563	13085	7320	11553	8034	4641	5258	3604	13712	10498	8110	8819	11405	8049	16478	10548	13175	7495	8595	15381	12798	5024	0	0	0	10725	13087	0	10632	9601	9955	7669	5003	0	8177	4334	3603	8699	8462	8746	11557	5674	8315	6415	0	8180	5213	10767	0	4749	7517	8426	6447	10340	7375	9163	0	5682	5791	6352	8629	8436	6982	4826	6137	4998	4895	4671	3982	8148	8916	10685	17484	6184	9639	0	6054	10112	3346	3333	4222	8996	4928	9685	0	7016	4789	0	5026	7568	Lipid	0.5	1.3461539	0.038461536
18	C26 H35 O13 N1	570.21814	570.21893	0.065226264	570.21814	128191	133194	0	114819	97185	81406	0	166785	112916	231818	99698	63161	178080	52911	134738	118360	59965	154583	191964	287174	226943	135503	126640	138357	113385	125441	53792	62000	166818	0	128887	130792	130849	108346	233700	150418	127202	90999	49916	175604	86933	77097	3906	361	0	339943	200154	0	121741	126653	110432	127628	80738	537	181927	90340	0	103740	140701	40502	133413	127592	128711	111647	47264	105970	79219	55651	103592	158185	110235	127632	0	143809	75797	114977	0	92468	82617	75824	85895	177072	79511	111828	113197	68430	73744	62329	68616	49906	90840	119651	163190	73042	155759	618	133518	142319	104416	64001	78025	129691	77920	157755	208359	96378	94997	0	76794	127642	Lipid	0.5	1.3461539	0.038461536
8	C25 H35 O12 N3	570.2294	570.2305	0.30547088	570.22955	12960	21133	13141	14174	0	5497	10840	24075	7266	20153	5196	9998	18482	0	15443	24643	12732	13623	10864	21547	20349	37227	18172	33404	12956	2416	10876	6098	19674	15585	14719	22726	24876	16504	29132	19877	19778	13674	17393	22491	15050	8557	0	0	0	9950	5966	0	21480	11590	14476	13141	5566	0	15651	6175	7470	19116	12605	4820	0	6926	12342	8336	0	8662	9890	20587	0	6395	7936	23370	13741	20436	10462	13223	0	13257	15782	0	9719	10154	6130	4262	10218	0	10505	2976	12476	22030	0	0	45911	12284	15408	0	14478	18365	2896	12619	4536	21586	12636	24185	0	19579	0	0	15695	18972	Lipid	0.48	1.4	0.12
26	C30 H35 O10 N1	570.2334	570.2341	-0.061455835	570.23334	5355	3906	4864	5197	7113	4710	0	0	5539	16944	11243	0	7317	3584	0	0	0	5133	6954	11713	15022	4165	0	0	0	20760	0	11853	0	0	3513	0	2276	0	18422	0	7493	0	0	12450	12209	0	0	0	0	10226	11100	0	0	0	5066	4619	3750	0	5502	0	0	2977	4287	0	0	10445	4760	4226	0	8529	4618	0	18625	25929	26732	0	0	0	0	0	0	0	0	0	5949	5193	0	8379	7041	0	5363	3079	0	2672	4958	0	7036	6855	0	0	6023	0	3876	4979	7068	0	0	0	0	3816	0	0	0	5986	Phytochemical	0.33333334	1.1666666	0.03333333
24	C30 H35 O10 N1	570.2334	570.23413	-0.003347902	570.2334	12414	12386	15374	15929	12767	9516	3801	9743	10793	36238	24397	4594	20432	9497	5158	7901	5901	14903	16128	34037	43431	18610	7886	13476	9923	43458	4363	24859	6008	8079	7742	7242	9995	8180	54958	10140	12740	7261	5725	32596	27436	7128	0	0	0	25340	16174	0	6845	6595	18277	15566	10306	0	11608	8211	5048	14336	8515	4978	11663	18827	9761	10946	5395	16316	9206	6831	38111	58440	56744	8083	10778	4423	5412	4759	0	6135	8446	8423	6848	13551	4096	21507	17361	8793	14701	7772	6679	13822	9868	23609	22190	19288	19807	0	11410	11251	10937	12904	10480	8776	4552	17040	12013	10845	11889	0	9278	12042	Phytochemical	0.33333334	1.1666666	0.03333333
10	C27 H39 O12 N1	570.2545	570.2556	0.32748652	570.2547	4675	5633	4909	3893	1637	2646	2643	6382	2241	5401	0	2624	2797	0	4570	4531	2586	2352	1386	6681	7285	5732	4098	8132	4338	2869	2982	4154	4527	4849	3786	5873	7784	5312	3576	3976	7004	2565	2039	4365	4055	1745	0	0	0	5357	4562	0	5055	4665	3796	3242	1682	0	2450	1787	1331	3739	0	2979	0	3730	2538	1993	914	2611	1876	2593	0	2738	1512	3740	4029	5222	4144	5091	0	1663	3604	10921	2895	0	3207	4273	1366	930	3620	2370	2524	3421	14253	4706	7408	3119	3855	0	6046	4689	1207	1506	1712	5676	2208	7220	20812	4788	1363	0	2804	1608	Lipid	0.44444445	1.4444444	0.037037037
26	C27 H39 O12 N1	570.2545	570.2553	0.09584545	570.2546	12438	6837	10734	11859	9960	8296	2801	12786	10335	26666	5869	5446	19742	4923	7319	8244	5800	14584	10696	24325	25063	7939	8611	7859	9992	8985	2153	4582	6899	6080	8054	6444	8112	5242	30753	6929	10578	5113	3650	13729	6796	0	0	0	0	17969	12259	0	9665	6637	9267	10287	7275	0	11758	6209	2839	7955	6125	0	9318	6682	14698	9006	0	11413	9514	3284	8635	24334	12182	9142	11042	0	0	7003	0	4505	7616	0	6886	9236	4634	9406	11973	0	5436	4200	4286	4387	10217	4396	8610	5115	8651	0	14406	6068	5629	6092	5127	9190	2622	6057	10173	5431	0	0	3835	19442	Lipid	0.44444445	1.4444444	0.037037037
8	C22 H44 O12 N1 S1 Na1	570.2555	570.25665	0.38263848	570.2557	7065	8310	0	8013	1992	5031	5253	6474	0	4776	0	4620	3726	0	5004	5685	4512	5649	5151	9675	6819	9642	3918	9936	6600	0	0	10722	11334	8082	8238	11328	13038	6264	13581	9033	11331	4411	5802	7647	4578	1917	0	0	0	7965	4515	0	8004	8700	8733	8718	0	0	5661	1857	1794	9594	5874	2604	0	0	5478	4698	0	3888	5490	7005	0	0	0	8187	6885	11499	12945	7401	0	9948	5733	141753	5940	2493	3747	3258	3627	0	5712	3327	2877	8556	0	24063	6885	5979	7497	0	9762	9126	0	2814	0	7859	4111	11289	0	4476	0	0	5580	3663	Organosulfur	0.54545456	2.0	0.045454547
26	C31 H39 O9 N1	570.2698	570.27045	-0.009895111	570.2698	7390	8877	7698	8790	6523	5697	0	7394	8091	16643	14700	3901	8389	5828	0	6519	0	8299	10163	23963	18803	8699	0	9114	0	29205	3604	16349	7166	0	4785	5417	8139	6193	16695	0	7620	4193	5443	18181	14956	0	0	0	0	11405	5978	0	7696	8033	8681	6974	8863	0	9618	7000	4410	8483	7914	5114	9648	10027	5574	7436	0	8094	3928	7506	21414	29890	31413	7299	5257	0	0	5531	0	3860	7394	0	5753	4935	4664	11465	8463	7754	9142	6644	5211	11552	8722	10877	12973	5804	5857	0	7491	0	5429	8885	6265	6583	0	7083	0	7809	4571	0	6479	5296	Phytochemical	0.29032257	1.2580645	0.032258064
24	C31 H39 O9 N1	570.2698	570.2705	-0.01253056	570.2698	73736	88248	94810	71776	65768	45466	36102	75482	80348	138382	142956	40534	86778	53846	59028	75484	55644	68648	103538	193624	163344	68018	70904	88976	71910	250414	35940	134282	74942	74854	70122	72460	82834	73152	172546	81968	94860	52040	56222	148254	130836	49448	0	0	0	84660	69564	0	73626	66364	79834	73920	56648	0	101306	73098	38096	87962	61758	34160	93802	99340	71044	79022	37152	67398	67223	64974	209230	271520	280092	68920	57848	62168	42800	69476	0	61368	79074	47142	60834	51836	45694	112476	82710	52342	91070	43414	57990	74730	97130	84864	131596	69302	95112	0	83260	83682	47948	95354	80648	85440	36976	84488	49522	84452	62744	0	50952	69276	Phytochemical	0.29032257	1.2580645	0.032258064
4	C24 H43 O14 N1	570.27563	570.2769	0.3678265	570.2758	1569	2203	985	1447	455	26266	407	0	580	0	0	529	3752	611	438	800	0	15866	9861	0	0	0	320	1115	515	0	0	0	1439	630	892	763	1799	3382	0	507	3007	438	0	0	0	579	0	0	0	0	0	0	0	0	1455	1296	1217	0	1379	0	0	502	0	0	664	0	375	4519	0	11027	1091	0	0	0	0	4741	2201	492	0	0	0	1729	0	4569	765	0	0	0	0	402	832	2138	5837	876	4751	1152	1066	0	0	0	1122	1670	0	0	0	1242	863	0	0	475	0	0	481	6036	Lipid	0.5833333	1.7916666	0.041666668
8	C25 H39 O10 N5	570.277	570.2776	0.38317996	570.27716	10424	8796	10768	9740	0	112700	8384	0	5168	0	0	5752	5944	0	4420	0	3964	110336	8036	0	0	5120	0	3856	7644	1011	11772	47211	5563	0	3808	4168	4572	12436	0	4496	7640	3236	5560	0	0	0	0	0	0	0	0	0	3880	0	11216	10564	0	0	11016	9124	7408	0	0	0	0	0	0	10288	6388	286128	0	9316	0	0	0	15240	0	0	0	0	0	4740	0	66408	6832	0	0	0	0	22584	3860	43672	9212	0	701532	294328	5572	9404	0	0	15756	7084	3356	0	0	6216	4728	0	0	0	0	0	3004	9232	Peptide	0.4	1.56	0.2
26	C28 H43 O11 N1	570.2909	570.2917	-0.004155604	570.2909	12497	10846	14865	8790	11228	8746	3480	11437	14059	26708	5296	4706	24144	5211	11186	12273	5490	23144	28299	25937	26210	9861	12841	15654	12569	6012	4624	8045	11303	9067	15357	9054	17425	10460	31792	11932	20474	8821	4088	14236	5288	7731	0	0	0	10376	6615	0	15266	8539	12230	15230	10805	0	29194	16627	6147	10267	10972	0	18849	4984	23257	13909	4277	12106	7023	3513	5493	27512	12227	10584	10419	11608	0	9645	0	9390	11296	0	10514	5885	6600	8579	23785	8021	11289	5806	7603	7132	11899	16354	17054	3816	6693	0	10144	14491	7147	13529	8503	9483	6683	13504	5904	10098	10156	0	5798	23122	Lipid	0.39285713	1.5357143	0.035714287
16	C28 H43 O11 N1	570.2909	570.2918	0.14557548	570.29095	8578	7665	6419	7088	4165	3892	6605	17749	6832	0	4874	8274	7948	3749	11497	14560	12274	6376	3835	12601	7966	10229	12026	18156	10989	5381	7759	5019	12717	15472	11870	13181	8291	7292	3194	14271	10052	7166	14631	5660	0	4128	0	0	0	7099	7909	0	15432	12880	9214	9897	6604	0	9204	7601	3680	15002	6243	5086	14568	2766	4198	8394	3495	6016	5849	10629	4016	5161	3516	7723	6332	15101	12748	8456	0	12254	8496	8431	9307	4560	6885	5499	8081	7175	11992	3344	6210	0	29288	10980	0	3893	3460	0	9829	11162	3744	5657	7781	19651	8459	12439	0	14429	8531	0	7644	5311	Lipid	0.39285713	1.5357143	0.035714287
26	C32 H43 O8 N1	570.30615	570.3069	-0.039336663	570.3061	7840	8249	9992	8248	6785	4863	4364	10195	5702	7055	12289	4449	5349	3246	6410	13042	7244	0	13137	20947	12571	7281	8556	13339	9382	25291	4646	15247	14524	14040	11753	10355	12016	11973	10344	13003	12952	6757	7102	15552	13670	7480	0	0	0	10824	7178	0	10504	12525	8392	8529	8101	0	9852	6343	5991	10710	6995	7157	16095	9987	5492	5807	5849	5292	5911	8814	25780	21776	23548	8226	11761	13603	0	12424	0	7272	7134	9675	5862	0	8662	11406	10033	0	9735	4645	6350	7850	11465	10087	18061	4901	0	0	8566	8687	3518	9591	10209	13934	3120	16616	0	11874	6719	0	9140	3283	Lipid	0.25	1.34375	0.03125
20	C32 H43 O8 N1	570.30615	570.30695	0.08648526	570.3062	3017	1856	1943	2918	0	0	2331	29688	0	0	3077	2291	0	0	2715	3339	3997	0	0	0	4647	2328	2076	1869	2620	4203	5131	2386	1943	4202	3129	2403	2258	2364	0	3393	3513	1931	3579	2031	5010	2216	0	0	0	0	3931	0	3327	11208	3714	0	1342	0	0	0	895	2212	1310	3892	6588	1253	0	0	0	0	1963	3034	3220	0	4730	11716	0	3397	3328	5020	0	1089	3396	3692	2083	0	1097	0	0	1653	3912	1060	1971	3105	4981	2995	7215	2261	2379	0	2009	2392	0	0	0	5137	1873	2610	0	3055	0	0	1902	0	Lipid	0.25	1.34375	0.03125
14	C29 H47 O10 N1	570.3273	570.328	0.30035222	570.32745	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5001	0	2761	0	0	0	0	0	0	0	0	0	0	1838	1846	0	24425	0	0	0	0	0	0	1517	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1448	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1734	0	1430	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3448276	1.6206896	0.03448276
22	C29 H47 O10 N1	570.3273	570.328	-0.003085763	570.3273	20278	19100	20735	17068	19051	13359	26420	30413	22711	8113	11828	14749	17138	11791	24440	27738	19939	25734	34594	25344	11676	12747	23337	21451	25249	7314	20254	13728	35611	24523	26807	33167	34421	18935	16602	34223	32231	18930	17738	10654	4457	13374	0	0	0	12915	4865	0	26199	29593	21677	14859	18179	0	43448	27299	14192	27117	21484	6007	27966	5483	23045	22335	12275	23478	18554	15298	4181	10217	8828	18658	24013	31402	20145	23125	0	17898	23227	7011	16011	6648	26805	13558	28244	21241	20850	12104	20199	12999	24371	34178	27950	7035	9003	0	14734	24274	9306	25429	22889	35959	14884	23162	9330	22830	23838	0	16129	24169	Lipid	0.3448276	1.6206896	0.03448276
24	C29 H47 O10 N1	570.3273	570.328	-0.01643014	570.3273	32238	23881	26366	36113	29265	22448	36141	39928	34631	29204	9568	16286	39806	18581	29507	38492	15728	39462	66235	35358	25146	25106	29232	40123	37157	10031	24760	21066	44292	30606	32178	34018	40642	26335	34973	32254	54003	23895	14322	22612	7922	19748	0	0	0	20444	5953	0	37215	23701	27551	27179	27045	0	62826	30026	18923	48191	28676	6762	40783	14502	41604	33267	13445	28993	27232	14074	5521	35948	6689	23931	30641	36311	11959	26536	0	27383	28294	8130	19898	7907	26746	19804	33988	20945	29319	12782	24435	26699	40287	42133	59266	10342	17397	0	24670	33901	19479	28284	27124	37986	17548	35107	11961	42889	33078	0	22078	39470	Lipid	0.3448276	1.6206896	0.03448276
26	C29 H47 O10 N1	570.3273	570.32806	0.048779897	570.3273	13139	9724	11481	11596	15223	11919	15032	21046	14405	16477	4690	5436	16678	7937	19828	8070	6497	20798	31896	14849	11365	12811	14866	16367	16653	0	10336	6743	22769	16012	13877	16049	20819	12577	19731	15081	29307	9592	5379	11981	2789	8579	0	0	0	12152	0	0	15275	12090	15259	16274	10791	0	29377	15311	8398	12790	13973	0	15264	4544	19565	18268	8498	14569	16842	4156	0	15250	5536	10546	10758	13468	8976	13187	0	10189	11060	0	12842	6301	15005	6933	15808	7896	11428	5627	9903	7722	22926	24948	16609	2948	5836	0	14892	15088	7643	11944	14638	14471	6934	18667	10083	12041	10111	0	10378	15941	Lipid	0.3448276	1.6206896	0.03448276
18	C32 H52 O4 N1 S1 Na1	570.35876	570.3595	0.76816124	570.3592	3012	0	2074	2704	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1723	0	0	0	0	0	0	0	0	1895	0	0	0	0	0	0	15206	8418	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	635926	0	0	0	0	0	0	0	0	0	0	1453	0	0	0	2270	0	0	0	0	0	56189	0	0	0	0	0	0	Organosulfur	0.125	1.625	0.03125
26	C30 H51 O9 N1	570.36365	570.3642	-0.027089614	570.36365	4114	0	3048	0	3971	3099	33175	6219	3895	0	0	0	0	6556	0	0	0	6588	7692	0	0	1982	0	0	5321	0	25226	3257	6076	0	4435	3928	9940	4827	0	5871	9267	2535	0	0	0	0	0	0	0	0	0	0	6457	0	3215	2687	3575	0	7710	0	0	6520	4864	0	4527	0	4738	5982	2355	5680	5253	0	0	0	0	0	4494	0	0	3340	0	0	0	0	2702	0	11385	3683	5078	0	6027	0	2551	0	9867	9160	0	0	0	0	3702	0	0	1842	5869	6862	0	6250	5855	1669	6115	0	2903	1907	Lipid	0.3	1.7	0.03333333
24	C30 H51 O9 N1	570.36365	570.3643	-0.004468657	570.36365	3934	2366	2471	5727	2310	2433	20089	3638	2605	0	1816	1957	2858	3288	3046	3875	1918	3504	6967	0	0	1373	2326	1946	4594	0	14358	2498	3077	4474	4561	3183	7647	2033	0	3921	4186	2950	1570	0	0	1734	0	0	0	1111	0	0	2724	3387	3498	3610	2552	0	6429	1786	1904	3575	1613	1692	3756	0	4338	3168	3918	3050	3080	3293	0	0	0	2372	5002	4989	1744	5749	0	2085	2376	2276	1428	1112	12199	4288	4492	4989	3842	1242	2727	0	4553	5511	4430	0	0	0	3647	2237	1510	5063	6041	5692	1963	6060	1542	2796	5602	0	1455	5000	Lipid	0.3	1.7	0.03333333
16	C30 H51 O9 N1	570.36365	570.3642	0.1937532	570.3638	0	0	0	0	2286	0	0	0	0	0	0	0	0	0	0	0	0	21685	0	0	0	0	0	0	0	0	0	0	0	0	0	39781	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2126	0	1324	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3	1.7	0.03333333
18	C34 H51 O6 N1	570.3789	570.3797	0.24162385	570.379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2578	0	0	0	0	0	0	0	0	0	0	0	0	0	3649	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4441	0	0	35266	0	0	0	0	0	0	0	0	0	0	0	0	23021	0	0	0	0	Lipid	0.1764706	1.5	0.029411765
24	C27 H55 O11 N1	570.38477	570.3855	-0.07780788	570.38477	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15188	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1668	0	0	0	0	0	0	0	8358	27722	5512	0	10391	6488	17218	0	0	0	0	0	0	0	0	0	0	2526	0	0	0	0	0	0	0	0	0	2731	0	0	0	0	0	0	0	0	0	0	0	0	3863	0	0	0	0	0	Lipid	0.4074074	2.0370371	0.037037037
28	C28 H59 O10 N1	570.4212	570.42175	0.03616828	570.4212	2904	3135	2841	2513	0	1347	5815	0	1346	4489	5764	2221	0	878	2151	6533	4667	0	0	0	0	0	1906	0	0	17274	4842	7091	0	0	1132	2129	834	1131	4379	0	1022	3762	5639	2451	2689	0	1326	0	3114	0	5767	0	955	0	3933	3073	1552	3907	0	0	1692	0	28955	7920	0	5754	0	0	2120	0	1314	3671	11555	5121	3119	1463	0	0	2232	920	0	1209	5082	7378	6214	2675	3520	4446	3633	3773	8943	1020	0	34581	8626	7845	0	1352	0	0	3400	3311	1458	6443	8073	0	1160	25099	58690	1002	3112	0	5136	1422	Lipid	0.35714287	2.107143	0.035714287
14	C23 H26 O13 N2 S1	571.12286	571.1239	0.22499177	571.123	0	3464	3382	0	10812	0	0	0	12352	9322	6282	0	11224	0	1548	0	0	8420	4685	5838	10956	13084	0	0	0	0	0	0	0	0	0	0	0	0	14620	0	0	0	0	6584	18494	0	0	0	0	11966	15064	0	0	0	0	0	2790	0	12424	9197	2014	0	0	0	0	0	25754	12678	0	7956	2550	2572	0	0	4024	0	0	0	0	0	0	0	0	0	1243	10860	0	2438	11280	0	0	0	0	0	0	0	0	25316	19664	0	0	7194	7690	11046	7816	0	0	0	0	2800	5662	0	0	12731	Organosulfur	0.5652174	1.1304348	0.08695652
12	C24 H26 O16	571.12933	571.1305	0.41403177	571.1296	6414	7795	5378	4913	9520	2802	0	1277	13599	6249	2722	2555	15675	2380	3295	0	0	12193	10836	3390	5216	14061	4907	0	0	0	2022	0	0	1155	1891	0	3749	2360	10225	1151	2908	3216	3304	3228	11409	4372	0	0	0	12029	29324	0	1888	0	4475	6076	5172	0	12176	12210	3953	2823	0	0	0	2364	21328	9519	3628	10398	4837	5226	0	0	0	1744	1303	0	1392	1155	0	3583	6247	0	4658	13196	0	1837	11871	5108	3508	1950	3949	0	0	0	0	20992	11209	0	6413	7017	7701	9744	10927	2331	1647	3143	0	1763	10500	0	1178	15294	Phytochemical	0.6666667	1.0833334	0.0
14	C23 H26 O15 N2	571.1406	571.14166	0.0866411	571.1406	5514	0	0	0	6816	3850	0	3374	11028	0	0	4556	13550	0	5636	0	0	8492	11180	5344	7836	14992	8204	0	0	0	0	0	3224	3436	0	0	4952	3298	7658	3744	5472	0	3286	7598	0	4764	0	0	0	17234	34808	0	0	4394	4798	6670	3952	0	12040	5678	4840	0	0	0	0	7924	14334	7188	0	8484	6564	3854	0	1569	2054	3208	2604	0	4482	0	0	4396	4012	0	3910	13720	2744	0	5436	0	5540	5292	3412	0	0	4394	6840	11480	10728	0	9812	0	5326	5050	6834	6166	4756	0	0	4502	5564	0	0	13342	Phytochemical	0.65217394	1.1304348	0.08695652
26	C28 H26 O13	571.1446	571.1455	0.17298605	571.1447	5909	5156	6073	6957	12697	7137	0	0	13495	24192	6763	0	23606	3512	0	0	0	15639	11812	13970	10848	16147	0	0	0	4958	0	3455	0	0	0	0	2429	0	28310	0	3125	0	0	6600	5435	0	0	0	0	8992	9538	0	0	0	7994	6299	10468	0	15932	12008	4482	2249	0	0	0	4730	22186	8282	0	12989	4777	0	8087	15223	13641	0	0	0	0	0	0	0	7227	8569	6483	8886	0	4035	15695	7791	3833	0	0	2448	0	3551	0	10512	25681	0	6158	0	9367	15947	16653	0	0	0	0	0	7405	0	0	18902	Phytochemical	0.4642857	0.9285714	0.0
18	C28 H26 O13	571.1446	571.14545	0.04765043	571.14465	27304	19993	21424	25095	36184	18899	4427	8499	39399	103555	56001	3612	46340	18741	6942	7621	3917	36481	35364	51705	59585	56960	8569	6830	9448	32161	4022	25517	0	3518	3735	6687	8463	0	146196	5143	5318	9174	4347	24321	22213	6932	490	0	0	41556	45227	0	6489	3583	27211	30651	22837	0	46500	36412	13485	7718	6295	6605	7657	23042	58996	34176	11730	42395	16113	4434	25167	42250	42661	4339	2606	2607	3950	0	0	4636	20505	33540	18473	46573	6073	22019	39415	19261	17844	9401	9234	5067	17816	14840	7702	49562	77024	0	26941	22702	37343	39682	34418	4942	4460	7127	31513	6068	31451	0	9032	53078	Phytochemical	0.4642857	0.9285714	0.0
16	C28 H26 O13	571.1446	571.1455	0.114673644	571.14465	17959	15644	14265	17085	18738	9048	5462	1868	23837	73671	33260	1926	36956	11042	10962	4588	2966	22370	17601	39288	36725	30023	6120	4565	4714	19533	2031	15835	3620	1789	2868	5353	5498	1201	94081	3548	4214	2745	3946	15340	11528	5987	564	0	0	22707	30639	0	6409	3932	16836	19776	7816	0	20167	18268	8696	6948	4118	6444	0	10752	33159	16792	7055	22822	6432	4639	18436	30092	30932	2529	0	0	0	3905	0	3314	19454	21538	8575	22006	3426	11025	20705	10240	9117	5880	5227	0	5418	4547	0	31343	43607	0	15990	13974	19318	22599	21635	4179	1899	6718	18797	0	18113	0	6753	23960	Phytochemical	0.4642857	0.9285714	0.0
14	C28 H26 O13	571.1446	571.1455	0.046196703	571.14465	9338	4393	6715	7101	8857	6749	0	0	10445	38501	16266	1699	11652	4735	3789	5672	0	7909	8513	20165	15266	9277	3713	4814	1804	10308	2571	0	1542	1549	1525	0	4289	1907	40013	0	1707	2648	2800	11898	9405	2735	0	0	0	11257	18394	0	0	1743	5071	7420	7255	0	8195	8854	3231	3304	0	0	0	10215	14138	5724	3423	5897	3569	2727	14307	11089	17193	1649	1095	0	2810	2168	0	3031	6898	0	6448	8889	1476	5747	11158	4829	5865	0	3034	4584	0	0	2879	19826	16623	0	6000	9162	9732	11891	9930	0	1586	0	0	0	7385	0	1793	10572	Phytochemical	0.4642857	0.9285714	0.0
2	C27 H31 O12 Na1	571.1786	571.1799	0.3306097	571.1788	1182	866	900	819	0	0	0	0	405	0	0	957	0	0	336	0	0	0	478	0	0	0	0	0	0	0	0	0	1443	4006	1701	4508	900	2183	0	4963	1177	0	0	0	0	0	0	0	0	0	0	0	2687	950	0	0	0	0	0	0	0	0	0	0	0	0	0	290	0	881	0	0	0	0	0	1200	5480	24763	0	3325	0	1271	294	0	0	0	0	0	0	0	0	0	0	0	0	595	0	0	0	0	835	0	0	477	0	1271	952	0	0	0	0	0	0	0	Phytochemical	0.44444445	1.1481482	0.0
26	C29 H30 O12	571.181	571.18176	-0.001452454	571.181	10768	9279	11167	11389	16722	8091	0	0	19580	36460	17431	3267	31904	11270	0	0	0	21973	17732	23117	24241	14662	6958	0	0	16711	0	11733	0	0	3258	0	3590	0	44531	0	5302	4262	0	17690	10028	0	0	0	0	11921	13952	0	0	0	8770	10652	13797	0	22814	21539	6387	0	0	0	0	9584	34784	17718	4105	18489	7374	0	18006	34976	35777	0	0	0	0	0	0	0	14240	11574	8360	9384	0	8434	26827	10818	7661	4001	3793	0	4128	6439	7306	15181	24848	0	12773	11183	10591	17935	17140	0	4202	0	8709	0	9861	0	0	26030	Phytochemical	0.41379312	1.0344827	0.0
28	C29 H30 O12	571.181	571.18176	0.08609017	571.181	4951	3275	4997	3980	7762	3271	1124	0	7889	14751	4686	1855	16913	2955	2255	0	0	8682	7635	8387	12843	5956	3174	0	0	10519	1116	3955	0	0	1559	0	0	0	23337	0	3140	2473	1614	6960	4988	0	0	0	0	3686	5987	0	1459	0	5769	3738	4165	0	11601	8131	2019	0	0	1577	2921	4138	16836	5819	2680	11044	3211	1360	10777	18366	20552	0	0	0	0	0	0	0	6833	5132	4265	3786	1398	4263	12670	5039	4764	0	1473	2158	2924	4018	2417	5006	8754	0	3783	4942	6013	10475	13068	0	0	2759	4962	0	7628	0	1759	13018	Phytochemical	0.41379312	1.0344827	0.0
24	C29 H30 O12	571.181	571.18176	0.03256538	571.181	22270	16486	18866	19267	29514	19283	5311	5467	39679	75484	37194	5480	47791	15127	7983	8785	2904	35026	32600	50489	40834	27969	14541	6030	6202	42285	4190	21904	3444	4583	5755	5174	7847	4076	94155	2778	7561	7386	5740	28072	21094	5160	0	0	0	31746	30127	0	4623	4135	20435	19741	20596	0	39303	26458	12604	7172	6892	4810	7588	20641	55478	28202	12232	28517	12021	4239	33929	66238	60245	4123	2619	0	0	3889	0	5073	20852	18652	14881	23265	4460	23078	36460	18123	16312	9872	11101	4054	10589	17876	9024	26693	40023	0	16094	23204	26499	31792	28065	6458	4195	7780	19977	6960	29621	0	7758	52077	Phytochemical	0.41379312	1.0344827	0.0
20	C26 H34 O12 S1	571.1844	571.18585	0.7435525	571.1848	61110	56867	52951	53170	71749	45768	30271	25736	77399	206747	105738	17511	93595	34805	38720	28275	12651	90236	85314	139693	116824	98671	38018	29120	31959	101970	11719	75412	34361	14728	23957	33884	28035	24236	249033	19336	30534	31699	15275	106252	59454	27916	1979	0	0	129549	101904	0	18161	18162	50768	50724	45901	0	94589	69906	27262	23475	44524	16773	28838	72221	108254	60378	27029	69983	31766	13573	77487	138727	127701	25363	17478	20556	20562	19548	0	19883	51571	52096	38258	91142	27495	76033	80364	41702	44949	29056	29400	20179	44198	45988	34886	89584	102282	0	69370	50212	62186	70424	64106	28868	24553	35254	125400	36513	54750	0	25947	106486	Organosulfur	0.46153846	1.3076923	0.0
24	C25 H34 O11 N2 S1	571.1956	571.19666	0.58685243	571.1959	4174	1234	3202	4025	2384	4067	1447	1745	2969	8745	9181	1195	0	0	0	0	1521	4905	0	8434	2142	2439	0	3072	1321	21033	0	5038	2033	1219	0	2108	4526	2554	8261	0	5151	0	1317	6285	7407	0	0	0	0	5582	2612	0	2466	1157	2570	4341	0	0	3717	0	1583	1306	2435	0	1249	5346	6421	1381	0	2485	3011	0	21746	12068	16647	2140	1159	1312	0	1186	0	1457	0	2359	2067	2198	1351	5925	3236	0	1764	4508	1478	0	1523	1631	4426	5344	2846	0	3637	2098	4050	4965	0	2175	0	0	5040	1581	0	0	1907	4133	Organosulfur	0.44	1.36	0.08
18	C26 H34 O14	571.20215	571.20306	0.23549297	571.2023	34897	34845	36888	31169	19670	20356	20780	35129	31103	69432	24216	16406	40179	8082	33569	20132	11336	31771	29283	56206	37716	66373	25458	27195	36080	9508	13863	0	39002	25296	32934	36074	30188	30925	73313	32139	29863	22800	15297	53197	9486	19857	475	0	0	77477	29255	0	30867	27093	28302	33796	15591	0	43723	19732	10754	25432	38534	10669	27910	32698	41455	29013	8910	27150	16494	14306	11631	24178	12469	29510	24141	35428	16179	20642	0	25470	24988	18794	24661	43898	21317	25929	24485	17301	22335	14965	19654	11615	28616	43181	43522	26628	42571	0	32882	33270	22945	14694	15517	24740	17477	26292	39072	24021	14299	0	16724	33880	Phytochemical	0.53846157	1.3076923	0.0
8	C24 H34 O10 N4 S1	571.20685	571.20795	0.5327473	571.20715	9111	13860	7128	8385	5733	7881	7734	5925	3981	4926	3666	7149	6351	0	7149	15468	7776	2709	0	9975	8145	15039	7140	18183	5343	4032	6516	0	5346	7899	11781	11526	13908	7683	13890	6645	8007	8460	16131	9171	10605	3813	0	0	0	4926	10977	0	10662	8349	11457	12612	3192	0	6975	0	3714	10800	4497	8166	0	6240	4992	4557	0	3753	0	11943	0	5796	8190	6285	7353	7845	0	7551	0	6429	10908	0	6201	8499	5268	6996	0	0	8541	8169	4812	21414	11655	0	16128	6570	8568	0	8940	8402	3243	5496	0	10611	4536	11262	0	12831	0	0	7014	4893	Peptide	0.41666666	1.4166666	0.16666667
28	C30 H34 O11	571.2174	571.21814	0.1110503	571.21747	8405	6329	7548	6140	9127	5893	1847	3599	12282	19562	8048	1610	20926	7188	4989	6008	0	11317	10062	14959	14476	7741	4620	4033	0	22838	3073	9690	0	0	3999	1718	3959	3185	23484	0	4308	3709	2077	9176	7097	3299	0	0	0	8065	6877	0	4029	0	8690	7328	8372	0	11817	10752	5023	4820	2940	0	4690	6807	16443	10144	3800	13462	5571	1871	17800	27431	29644	2133	2090	0	2889	1260	0	1520	10863	6219	5562	5103	3004	7871	16270	7457	9630	3191	2150	3223	3328	6723	5737	5212	12617	0	5138	5489	6508	14867	16843	3676	0	5046	3818	3143	8887	0	3489	15743	Phytochemical	0.36666667	1.1333333	0.0
24	C32 H35 O8 Na1	571.2302	571.23096	-0.48454735	571.23	3991	4531	2846	2639	3594	2487	0	0	4113	7077	10320	0	3877	3626	0	4587	0	4632	6708	6040	7730	2709	2748	3480	2842	9738	1240	5198	3807	2763	2552	7899	5314	3744	8102	0	6132	0	4318	9213	3730	0	0	0	0	4498	4101	0	0	0	5345	7376	0	0	5269	3218	1702	3797	2467	0	2074	5435	0	2289	0	3583	2248	4684	22114	14015	17151	1989	2667	0	0	0	0	2104	4149	0	1743	0	3195	6496	5038	0	4283	4774	2079	3142	3257	7502	5236	3265	5029	0	2838	1785	1819	3750	0	3345	0	3069	0	8161	3670	0	3518	6430	Phytochemical	0.25	1.09375	0.0
0	C22 H38 O15 N2	571.2345	571.2358	0.47557962	571.23474	2113	0	0	1764	0	0	0	1801	0	0	0	0	2172	0	0	0	886	2124	0	0	0	0	0	2767	0	0	0	0	4212	0	2675	2466	3652	21366	0	1983	2745	0	0	0	0	1239	0	0	0	0	0	0	2544	0	2005	2353	1372	0	770	0	0	2806	0	0	1684	0	0	0	0	1954	0	868	0	0	0	11390	7061	0	0	2915	0	0	0	0	0	0	0	0	0	0	0	3671	1591	0	0	0	1691	0	0	0	2557	2224	0	0	0	0	0	0	0	2340	0	0	0	2157	A-Sugar	0.6818182	1.7272727	0.09090909
20	C27 H38 O13	571.2385	571.2393	0.0793221	571.2386	24533	19073	21598	24998	12384	14857	16329	32209	24575	53956	16611	14317	23086	9055	28431	21930	8443	20429	23466	32608	28195	28449	19810	23397	30924	15898	8982	11237	33872	24882	24537	23804	21768	20167	56746	27040	27683	16313	10053	29871	9648	11930	572	0	0	33161	0	0	23567	19619	22325	17366	12790	0	31113	13952	9453	26120	33475	4573	18242	13846	25585	17975	8327	19005	13033	11516	14688	24341	11368	22670	25214	24494	13385	25000	0	20129	21115	9213	14577	12727	15830	10912	12022	9207	14824	9452	13013	12212	31872	35035	28320	11340	24062	0	19314	21071	6621	7652	7229	23343	15095	29744	13760	23451	9330	0	16850	21477	Lipid	0.4814815	1.4074074	0.0
12	C22 H43 O13 S1 Na1	571.2395	571.24066	0.40281957	571.2397	6944	4732	3358	5046	0	2627	5617	7690	1100	2716	4652	2512	2757	0	4267	5263	4622	2349	3741	4698	5292	0	5175	9077	6128	1963	3835	0	5777	4841	7330	7135	9665	4352	8844	7131	7163	7802	10388	5498	0	2015	0	0	0	7232	3526	0	8119	9511	4014	5395	2222	0	3599	1399	2173	6475	0	7237	0	1699	1751	1776	2988	2422	3950	0	0	4731	2945	8572	6713	5858	6721	4383	0	7110	7944	17608	4686	2656	3427	3057	0	2059	4544	2482	2382	11177	27552	12730	12676	3306	3578	0	4209	5614	1746	2471	1699	6490	5614	6119	0	7336	2403	0	6304	1799	Organosulfur	0.59090906	1.9545455	0.0
16	C31 H38 O10	571.2538	571.25464	0.021591824	571.2538	15990	10193	12140	15342	0	3643	12627	12808	10654	8828	7125	10087	6670	4622	10067	22449	14419	3508	8183	10135	18172	9652	10403	14277	13830	16206	11960	7946	9456	13316	15595	13298	12125	6853	15157	11075	10374	14012	22623	8514	19079	8137	0	0	0	10744	12615	0	14380	11625	15245	12971	7069	0	5773	6270	4905	22584	8625	16959	0	5379	7393	7003	4646	5994	5706	20777	10889	15456	18309	7105	6604	12461	19723	16027	0	9348	21552	7018	16151	6512	11001	10974	8973	7696	22588	3381	4119	30121	10740	11458	0	4094	7629	0	16616	14692	7508	9234	8179	8998	5822	16032	4694	21819	8533	0	18992	6937	Phytochemical	0.32258064	1.2258065	0.0
28	C31 H38 O10	571.2538	571.2545	0.013276127	571.2538	10214	11531	11549	9011	12609	7671	4036	7565	13875	19351	12080	4276	20342	7300	8527	9899	5316	12360	17272	18148	20071	7287	8534	7782	4126	28652	4198	11535	4926	4824	8013	4337	8889	7734	23042	5596	8878	4439	6092	11720	13125	3319	0	0	0	6319	6157	0	7535	6224	12942	10092	9488	0	15743	17823	5307	10353	4136	2715	7987	6820	16305	11067	4283	15784	7655	5530	32502	39545	42674	5031	4015	4121	0	5079	0	5426	14125	6624	10167	6492	4509	10864	17060	7096	14016	5430	6367	5573	9221	10169	7998	8563	8097	0	10325	10532	8724	21676	20629	8024	3729	8504	6786	5878	10041	0	3974	16172	Phytochemical	0.32258064	1.2258065	0.0
16	C23 H47 O12 S1 Na1	571.2759	571.2764	0.27190152	571.276	35007	50509	30521	32471	28433	11755	37462	48663	0	33932	35618	26820	10998	11369	31879	51606	62756	0	9845	61368	24035	24672	18682	54935	49276	20901	21165	20245	50854	73863	46753	53194	69553	50972	17604	62820	67562	38206	61754	47822	32710	30665	0	0	0	34300	15654	0	103415	48291	54505	70137	23235	0	15300	6414	17970	53374	12480	8538	72476	13638	0	7938	4700	0	22122	72337	0	25946	22416	48558	39528	40174	67974	46551	0	25970	35649	35540	30187	6666	30062	27300	8970	0	37451	31683	10860	0	1079680	262506	0	9954	18534	0	36245	53847	6905	15614	18014	55549	21943	60673	0	76626	20161	0	44281	0	Organosulfur	0.5217391	2.0434783	0.0
12	C23 H47 O12 S1 Na1	571.2759	571.27655	0.48500878	571.2761	2401	0	0	0	0	0	0	2240	0	0	0	0	0	751	1394	0	0	0	0	0	0	0	0	0	0	0	1800	0	2300	1776	1784	1982	2602	0	0	1214	0	1603	2421	0	0	0	0	0	0	0	0	0	2675	0	2529	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1795	1351	0	2172	1326	0	0	0	26069	0	0	832	0	0	0	0	0	0	0	105853	40144	0	4485	1401	0	1722	0	0	0	0	0	968	0	0	2477	0	0	1253	0	Organosulfur	0.5217391	2.0434783	0.0
14	C23 H47 O12 S1 Na1	571.2759	571.277	0.6441026	571.27625	3121	2364	4032	3512	0	1939	2865	2091	0	0	1932	1418	0	0	1043	2468	0	0	0	0	0	0	0	0	2043	0	2412	0	2440	3483	2678	0	2157	3135	1864	4696	2681	2311	2649	1866	0	1554	0	0	0	0	0	0	2681	2039	0	2009	0	0	0	0	0	2967	0	0	0	0	0	0	0	0	0	3655	0	0	0	2167	2906	4175	1333	1846	0	2538	1491	26419	2372	1222	0	0	0	0	0	0	0	0	268546	59599	1966	0	3205	0	0	2874	0	1121	0	4925	1919	4028	0	1378	0	0	2253	0	Organosulfur	0.5217391	2.0434783	0.0
28	C32 H42 O9	571.29016	571.2909	-0.014479886	571.29016	13883	11845	13948	10587	17310	6893	8482	12023	17535	15208	14695	4917	20858	9857	11135	11734	10631	11519	20989	23589	21088	10377	12109	12095	14299	36471	6887	15470	14258	11651	13555	11635	15033	12243	22077	12949	16111	9306	12103	15366	13766	7231	0	0	0	11616	7480	0	9742	12249	15197	11463	10493	0	22976	23212	7832	14610	11514	3975	17452	11912	14759	13971	5912	20011	11386	13326	34636	39383	39848	8940	8467	9661	4868	10183	0	9169	15820	9536	10192	6424	10467	15030	20657	7961	22527	6943	10232	16153	18870	19671	12809	6643	6905	0	13423	11596	9476	32200	33708	14757	5530	16101	6965	14898	13656	0	9019	12591	Phytochemical	0.28125	1.3125	0.0
10	C33 H46 O6 S1	571.3088	571.30914	-0.40625352	571.30853	0	0	0	0	0	0	0	0	0	0	1773	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9727	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1278	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	88442	0	0	0	0	0	0	0	0	0	0	112442	36342	0	7303	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.18181819	1.3939394	0.0
6	C33 H46 O6 S1	571.3088	571.3093	0.12589571	571.30884	0	944	0	853	0	2848	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17015	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	743	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	97149	0	0	0	0	0	0	0	0	0	0	79608	19892	0	7960	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.18181819	1.3939394	0.0
8	C33 H46 O6 S1	571.3088	571.3094	-0.28317276	571.30865	1512	2511	876	1194	0	1025	0	0	0	0	1809	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	30213	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1087	1241	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	182239	0	0	0	0	0	0	0	0	0	0	179484	48260	0	12484	0	0	1091	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.18181819	1.3939394	0.0
18	C28 H46 O10 N2	571.3225	571.32336	0.27976882	571.3227	3336	0	0	1704	0	0	9967	0	0	0	19565	4150	0	2804	0	0	0	0	0	0	0	0	1701	0	0	19161	65238	24975	0	2180	0	0	0	0	0	0	0	4001	0	0	0	0	0	0	0	0	10065	0	0	9810	1815	1522	0	0	0	0	0	0	1355	0	18680	0	0	0	37657	0	0	10008	73466	0	6117	0	0	0	5815	0	0	0	0	16059	2048	0	0	0	0	0	0	0	0	11737	2884	0	2955	2114	1557	0	2009	0	3093	0	0	4507	1291	0	8093	0	0	0	0	0	Lipid	0.35714287	1.6428572	0.071428575
28	C33 H46 O8	571.32654	571.3273	-0.024797406	571.32654	16637	16874	14858	15597	12344	8542	18822	21740	17747	9918	15006	17650	15783	12217	13160	20782	14599	8339	22340	21300	16150	10981	11460	14492	20904	34691	14808	20399	26200	40014	25732	19807	29060	15252	14390	29905	28007	12485	15671	13341	10414	12098	0	0	0	8881	4342	0	31738	21926	17337	13770	11525	0	28539	28356	11978	22699	19321	7670	21010	11352	10866	16703	11095	15811	12741	15525	25480	22136	21883	11799	12877	21728	16301	23941	0	13967	22733	12695	11820	8694	19557	16367	24408	15439	28275	7655	12221	15355	12999	19122	19197	12585	5233	0	17501	15962	11584	39369	49352	30988	16132	34093	7559	15839	22648	0	11452	7227	Lipid	0.24242423	1.3939394	0.0
22	C33 H46 O8	571.32654	571.32733	6.09167E-4	571.32654	22097	17094	14727	16275	8279	6111	22687	17933	14539	9954	12588	14423	12658	9615	17114	31333	33010	10131	14516	15292	7457	10868	17595	23383	19908	15579	24084	14053	23299	23481	18663	25861	27387	9933	10421	25279	22478	23117	46247	13192	13373	9922	0	0	0	7908	11466	0	21633	17105	16233	15305	10217	0	20730	23651	14571	23555	14673	19085	19687	7950	14665	14246	12351	12672	10753	36512	15549	20282	19815	10573	12069	22465	30463	18970	0	15056	28135	12112	19340	11911	17170	10921	18932	18163	29909	8720	13472	37186	24780	21626	21395	10516	6396	0	17323	18971	10075	32779	28628	32068	13699	24136	5011	15941	16672	0	23058	6928	Lipid	0.24242423	1.3939394	0.0
10	C34 H50 O5 S1	571.34515	571.3456	-0.19747145	571.34503	0	1022	1115	0	0	1305	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	73394	0	0	0	0	0	0	0	0	0	0	86045	13878	0	3054	0	0	0	0	0	982	1320	0	0	0	0	0	0	0	0	0	Organosulfur	0.14705883	1.4705882	0.0
6	C34 H50 O5 S1	571.34515	571.3458	-0.18938115	571.3451	0	0	0	0	0	732	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4169	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14925	0	0	0	0	0	0	0	0	0	0	26007	1592	0	1360	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14705883	1.4705882	0.0
26	C34 H50 O7	571.3629	571.36365	-0.0417533	571.3629	11354	9316	9503	10852	5817	3664	18541	8875	10174	2444	5215	7208	5007	7450	15308	16370	28040	0	16027	5426	0	4226	9250	9076	11909	6777	19093	12434	14671	15534	8906	17141	12695	8159	4257	17352	15179	12787	26846	8131	6658	9159	0	0	0	0	0	0	13655	12656	10733	9782	8487	0	18393	21660	10673	16087	10781	8294	14780	4479	5735	11094	9198	5782	11822	30685	8334	4258	8429	5014	8419	14239	13648	14016	0	6517	16554	7902	12307	4286	11592	8551	18432	20573	27467	6561	9391	28887	13237	15602	13723	6716	7036	0	10879	8169	13676	32087	39918	24551	6637	15960	0	13632	11078	0	13312	2165	Lipid	0.20588236	1.4705882	0.0
28	C34 H50 O7	571.3629	571.36365	-0.006533438	571.3629	6480	7174	4894	5069	3485	1232	14615	9149	5097	0	4084	5309	3368	5610	10320	7959	16989	0	6897	0	0	3239	9209	2847	14032	7443	14036	6588	9746	11511	4958	7323	10375	3311	1795	12010	8351	14564	13843	2805	1642	3271	0	0	0	2407	0	0	6312	8345	5481	4679	2450	0	11319	14020	4906	10804	6135	2624	9114	1967	1962	5763	3268	3159	6209	13684	4531	2519	2141	2371	4044	10855	2699	5942	0	4157	10836	6616	3913	1720	7002	5041	11260	6060	19053	1926	3799	8252	7219	7838	6772	4731	2334	0	6266	5407	4797	20479	26365	11730	4328	6699	3180	9520	10632	0	8308	1677	Lipid	0.20588236	1.4705882	0.0
26	C31 H54 O9	571.38403	571.38446	-0.19610058	571.384	0	0	0	0	0	0	2947	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1931	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10392	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6567	0	0	0	0	0	0	0	0	0	0	0	0	0	4896	21133	0	0	0	0	0	7475	0	0	0	Lipid	0.29032257	1.7419355	0.0
24	C37 H62 O4	571.4721	571.47253	0.12972483	571.47217	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21582	7599	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28452	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.10810811	1.6756756	0.0
26	C23 H25 O16 N1	572.12463	572.1256	-0.017131338	572.1246	9399	7524	9963	0	16542	12591	0	0	12036	10404	0	0	30345	0	0	0	0	17409	0	15030	27789	21513	0	0	0	0	0	0	0	0	0	0	0	0	4286	0	0	0	0	15405	15954	0	0	0	0	71505	198075	0	0	0	0	9045	0	0	14466	0	0	0	0	0	0	15117	14670	8337	0	0	0	0	0	0	10900	0	0	0	0	0	0	0	0	22848	0	84330	0	0	0	0	0	0	0	0	7026	0	0	15696	0	0	0	0	8292	0	0	0	0	0	133446	5235	0	0	0	22776	Phytochemical	0.6956522	1.0869565	0.04347826
14	C23 H25 O16 N1	572.12463	572.1257	0.16681336	572.1247	6227	9228	7012	7165	20744	11545	0	1791	22555	7558	6419	3511	50704	5085	6084	4020	4493	27838	25593	3251	15406	16120	9514	7285	0	0	1639	0	0	0	2817	0	3698	0	7757	3247	1675	3042	2703	4323	14562	10033	0	0	0	25951	85338	0	1650	3037	7868	4809	10534	0	22048	29061	7990	0	0	0	0	11826	81012	25666	9783	23095	6443	3830	0	0	2361	1189	0	0	4218	1816	0	4341	6428	22785	6676	29439	0	0	29174	14430	6512	8065	5997	7085	0	2787	5280	34948	22413	0	8556	15242	24126	24996	32744	5304	2756	0	61901	3761	26121	0	1689	31960	Phytochemical	0.6956522	1.0869565	0.04347826
16	C23 H25 O16 N1	572.12463	572.1256	0.1585528	572.1247	30765	30633	28656	36450	57291	45540	4668	0	91644	13131	18756	17469	177651	19434	16083	11085	9303	111360	105018	24195	35682	87291	31293	4998	4194	1822	3309	8016	9489	0	5901	0	8868	7308	20316	9405	17622	13380	9432	0	29043	26931	1707	0	0	120081	268437	0	0	9603	33066	34854	46662	0	117969	105405	32223	12999	12087	15687	0	45699	123591	54042	26160	61389	38634	12135	12759	6489	11391	7770	6336	4119	7533	4569	0	10449	14823	95112	18228	121779	0	0	116034	47382	12366	15528	31593	0	10269	7452	0	100008	132720	0	43329	36957	75984	84423	98856	14166	9927	5934	201510	0	82002	0	7359	118191	Phytochemical	0.6956522	1.0869565	0.04347826
12	C23 H25 O16 N1	572.12463	572.1258	0.24368025	572.12476	2250	3385	2940	0	11865	4418	0	1623	14794	2659	3214	3817	23739	1617	3825	2072	2771	14091	18189	3624	9394	14881	7128	0	0	841	0	0	0	0	0	0	0	0	8503	0	1469	1688	3078	2363	5484	7574	0	0	0	14804	47860	0	0	0	5216	2781	4848	0	16170	16954	6636	0	0	0	0	6076	23785	16780	4136	15869	4282	6949	0	0	0	0	1132	1136	2011	0	0	1489	3478	0	3287	11640	877	0	23078	5401	2949	3583	5653	4924	0	2093	0	22203	7705	0	4188	8818	19551	16743	25672	0	2202	0	41718	0	14871	0	1219	18486	Phytochemical	0.6956522	1.0869565	0.04347826
18	C23 H25 O16 N1	572.12463	572.1257	0.22026153	572.12476	34395	25836	25383	18009	55533	43890	4197	5829	177204	19122	16458	9840	174978	15459	10374	6207	7707	80310	89415	27360	42357	63618	27810	9978	6669	6442	8538	0	0	0	5064	0	13350	0	19437	0	15066	9939	8208	18018	50844	25401	0	0	0	282527	306630	0	0	0	24363	25104	43461	0	86190	74982	24930	6108	10683	8307	12885	24867	96102	61116	29964	74730	30096	8970	15783	0	15240	6786	3786	0	6648	0	786	14280	17787	62739	24057	146949	5334	4848	85374	40242	14442	19933	24690	9615	0	11751	8838	102024	60629	0	31137	37530	76062	57648	66443	11589	12198	5253	242115	8166	66243	0	4590	99681	Phytochemical	0.6956522	1.0869565	0.04347826
20	C27 H25 O13 N1	572.1399	572.1407	0.14562349	572.13995	39554	25650	20394	20878	33584	24914	10639	4156	46294	116136	38104	4412	70403	24010	8964	13048	4818	44530	21254	71216	64318	92079	12117	13624	13554	24420	4222	20186	3678	5390	3636	2982	8162	1393	149186	0	12521	6902	0	46890	43560	7980	838	0	0	52362	76794	0	3406	0	28616	32479	19480	0	47575	37532	14694	5608	8380	7833	6117	34729	63478	41903	13126	40924	15252	2450	24946	18725	31678	2510	2474	0	0	0	0	3008	18314	50660	12090	40778	5722	33552	42168	21730	11698	11088	15703	3494	14478	17430	8424	84268	110022	0	27018	23000	34628	28238	33886	9212	4592	8844	59431	5442	29352	0	5662	65812	Phytochemical	0.4814815	0.9259259	0.037037037
24	C27 H25 O13 N1	572.1399	572.1407	0.19465442	572.13995	5227	4724	4142	5878	10056	4532	0	1464	9026	25396	5424	1557	15132	5422	1702	0	2315	11808	7677	10400	15270	18832	2919	0	2149	3314	0	4075	0	0	0	0	2212	913	25171	1419	1637	1610	0	10281	7134	1862	0	0	0	13943	16088	0	1143	0	6825	5464	5461	0	11801	6549	2261	0	1319	0	0	7961	19192	10575	2636	11108	3176	0	3885	5230	8112	0	0	0	0	1037	0	1467	3955	9220	2786	10131	1331	3488	13228	4316	3651	1693	887	1773	1366	3928	1803	15484	35328	0	6295	5145	7485	7502	6346	1764	1823	0	11076	0	8243	0	2810	14337	Phytochemical	0.4814815	0.9259259	0.037037037
16	C27 H25 O13 N1	572.1399	572.1408	0.16102658	572.13995	6703	10023	9776	8179	8995	6569	2390	0	14001	41805	17292	0	22089	4097	2855	2414	1830	13181	15854	27100	32807	27844	2797	0	1382	10065	2522	9064	2781	0	1999	0	2977	1593	61458	2996	4942	1700	1565	18510	18714	2539	0	0	0	19662	28053	0	2200	0	10577	8554	6584	0	18818	9507	4663	3172	0	0	0	11379	26022	11951	4868	15518	6233	3533	13427	19578	16116	0	0	0	1601	1605	0	995	5872	22392	3830	13648	2527	10324	14894	5859	5212	4026	2526	0	5620	7566	0	31270	44017	0	8724	9701	11869	11805	13016	4320	0	4574	12093	0	10562	0	4097	21106	Phytochemical	0.4814815	0.9259259	0.037037037
26	C27 H25 O13 N1	572.1399	572.14075	0.031054094	572.1399	4446	3865	3707	3200	5033	3790	0	0	7335	15008	4204	0	14059	2410	0	0	0	9203	7708	8492	9312	13376	0	0	0	0	0	0	0	0	0	0	0	0	17515	0	0	0	0	6079	3787	0	0	0	0	9890	7360	0	0	0	2847	0	4965	0	8087	6415	0	0	0	0	0	6299	10887	5881	0	6316	0	0	0	5276	7643	0	0	0	0	0	0	0	0	0	3127	10241	0	0	0	0	0	0	0	0	0	3469	0	8361	23057	0	5548	0	7033	5346	0	0	0	0	0	0	0	0	0	12842	Phytochemical	0.4814815	0.9259259	0.037037037
22	C27 H25 O13 N1	572.1399	572.1406	0.10815864	572.13995	7804	6758	6193	10873	10717	6516	1865	0	16406	36916	11547	1665	19804	6035	2212	1739	2046	19294	10334	18705	25781	29049	4831	2314	4901	4652	1266	5681	0	0	0	0	2417	0	43316	1539	3892	3122	3094	12137	13184	3137	0	0	0	23905	31435	0	1494	0	8037	7019	6641	0	17094	11048	4788	3403	0	1516	0	10830	30479	16675	3854	17513	5927	0	7523	7802	14557	1638	0	0	1318	1399	396	1348	4765	21036	6249	19448	0	8512	14983	7713	5413	2832	3739	3202	7663	0	3912	29041	36381	0	7677	9977	13417	13776	16550	0	1905	2429	24641	3753	8417	0	3202	24499	Phytochemical	0.4814815	0.9259259	0.037037037
28	C24 H29 O15 N1	572.161	572.16174	0.11200181	572.1611	5732	4460	4723	3861	2544	3412	972	0	3689	11179	2687	999	5713	1105	2520	0	0	6524	4042	14405	17539	5420	0	1938	0	0	0	1122	0	0	1544	1519	1874	0	9148	0	2106	1144	1812	8318	5622	0	0	0	0	42763	45058	0	1816	2541	4436	4298	2114	0	3435	3051	1708	1060	2370	1210	0	8216	2041	2310	1144	978	1464	851	3946	6922	6006	1867	952	0	0	2134	0	1491	1829	5249	1493	23647	1697	3964	3810	0	1220	1523	1207	1667	2032	2901	2781	4541	9154	0	3899	4069	4118	1134	0	0	0	2533	41102	1324	2893	0	0	5518	Phytochemical	0.625	1.2083334	0.041666668
26	C24 H29 O15 N1	572.161	572.1619	0.01497395	572.161	4336	0	4020	3022	0	4475	0	0	4867	10376	0	0	7353	0	0	0	0	6419	0	12190	17762	8509	0	0	0	0	0	0	0	0	0	0	0	0	7426	0	2082	0	0	9557	6581	0	0	0	0	47919	63395	0	0	0	4197	2614	0	0	0	0	0	0	0	0	0	10206	2905	3219	0	4204	0	0	0	5862	7733	2515	0	0	0	0	0	2828	0	7620	0	37064	0	0	0	0	0	0	0	0	1779	0	0	7989	10068	0	7129	10398	3724	0	0	0	0	0	40334	0	5067	0	0	6184	Phytochemical	0.625	1.2083334	0.041666668
12	C24 H29 O15 N1	572.161	572.16205	0.20733736	572.16113	19346	16115	20635	18319	21144	10599	14640	19340	22706	20234	17246	12373	39022	5672	15189	11161	16687	31367	31527	35704	42027	46061	24178	18663	7562	5058	7037	0	13378	11522	14466	9571	15426	10933	40610	15479	10567	11957	12986	21022	33280	14990	0	0	0	76990	142855	0	12570	13975	14508	17398	12914	0	36261	24025	13904	14136	21744	13869	0	21332	39901	24187	11184	19496	15406	17595	0	3769	10485	16995	11619	15700	12223	9893	0	14035	13541	35167	16426	51008	6870	7690	33234	15661	15877	9120	15779	13479	3122	14344	19761	42006	33190	0	19067	26682	27172	22278	28771	21199	14837	21004	97393	11259	30641	0	7912	33748	Phytochemical	0.625	1.2083334	0.041666668
10	C24 H29 O15 N1	572.161	572.1621	0.36530727	572.1612	8155	10330	9251	11226	6090	4605	3390	7053	10352	12758	5963	8266	22513	4731	3614	6261	9230	13416	19813	13025	18980	15689	7253	10322	2665	0	4235	0	4314	6264	4325	6498	6586	4709	15505	5753	5544	4290	7534	6307	11552	6270	0	0	0	22421	47759	0	5104	5382	10326	8829	5993	0	16499	9274	3730	5828	3668	5460	0	7264	16023	11020	4263	10883	7830	9170	0	4046	3678	7202	4318	5542	6201	5190	0	5383	7653	10616	7078	19164	4264	2883	15067	7196	6196	5356	5598	5843	0	4438	8957	17310	17452	0	8991	10416	11267	10117	14666	7132	3764	9291	21096	7760	12833	0	3446	15129	Phytochemical	0.625	1.2083334	0.041666668
20	C24 H29 O15 N1	572.161	572.16187	0.106466815	572.1611	24675	22425	18343	24437	28432	20521	6284	12789	35467	29028	13220	8255	56979	10346	17902	11656	6891	44349	33680	38900	45400	43584	19369	13175	6124	11281	6512	4953	12886	9591	11614	10734	13497	12026	32321	9987	13055	10618	5040	31249	18228	11711	1013	0	0	192265	206920	0	11506	14144	24516	25988	20554	312	39333	23799	10113	7996	18070	6624	12486	36168	39283	29633	12643	27589	11589	5338	16540	16873	10938	10819	11748	15887	5693	6847	0	15727	9869	39709	10206	122087	6784	19236	25352	20968	12519	9533	14412	4780	10525	11125	14204	31813	43666	0	27385	28986	26843	14232	17150	15548	9500	15401	181114	13725	30757	0	6022	37921	Phytochemical	0.625	1.2083334	0.041666668
14	C24 H29 O15 N1	572.161	572.162	0.16189697	572.1611	32119	37912	25217	28212	34175	28486	21810	32264	47929	39541	22849	16544	85514	17506	31926	29471	22901	63576	58796	66240	76134	87384	46183	28201	15351	8990	14314	8959	21701	22213	19983	16204	31066	16733	56250	24940	25861	23320	18489	35720	53807	24794	0	0	0	155661	234659	0	17270	25130	25505	32892	27701	0	70320	40564	18505	25035	36809	18260	37884	46616	63441	53113	23152	39140	24015	12030	18422	15280	18781	18844	22086	26617	23198	21636	0	21080	24089	70493	26255	108646	11807	17839	52253	40154	19525	24472	27491	15346	9840	19910	33819	71016	78776	0	29751	48765	46839	31407	37586	32381	19378	29824	264256	20235	45318	0	13713	57914	Phytochemical	0.625	1.2083334	0.041666668
26	C28 H29 O12 N1	572.1763	572.1772	0.13903305	572.17633	4636	3885	5422	0	5364	2711	0	0	5403	14717	5345	0	13454	0	0	0	0	8659	6042	10623	11864	9061	0	0	0	0	0	2505	0	0	0	0	0	0	20469	0	0	0	0	8609	5984	0	0	0	0	10042	9387	0	0	0	4291	3140	4275	0	9302	0	0	2580	0	0	0	4887	8592	5997	0	5995	0	0	0	12418	11576	0	0	0	0	0	0	0	2840	0	0	5501	0	4849	5104	0	2263	0	0	0	0	1593	0	14360	12071	0	4492	0	3575	5755	4986	0	0	0	0	1556	0	0	0	8436	Phytochemical	0.42857143	1.0357143	0.035714287
24	C28 H29 O12 N1	572.1763	572.177	0.045903336	572.1763	4989	5478	7512	5481	9815	5608	0	1462	12788	29457	13457	0	13406	5729	2524	4565	0	9812	7279	25426	22425	13548	3602	2269	1783	8765	0	9895	2252	1841	2124	0	2713	1354	38395	1961	4943	1554	1636	17387	8384	0	0	0	0	18524	18077	0	1260	1769	5006	5981	7769	0	11283	5545	3814	2440	0	1714	0	9555	16867	11572	2596	10241	3732	0	12069	17122	18834	0	0	1233	0	0	0	0	5701	8491	4931	10056	1480	10668	6939	4883	4161	2703	4934	0	4257	2262	3733	15551	23701	0	7145	6921	7454	6332	5614	3185	1546	2008	10672	1824	8503	0	1472	15612	Phytochemical	0.42857143	1.0357143	0.035714287
16	C28 H29 O12 N1	572.1763	572.1771	0.063755564	572.1763	15915	13178	9265	13922	11253	7025	5248	4193	15820	68488	23989	2906	15463	5482	5949	6347	4360	10977	19011	44851	48445	26131	6954	10488	5067	22422	3308	20491	2065	4990	3487	0	3679	8759	83573	3759	6315	3390	4367	28548	26309	3971	0	0	0	21719	27136	0	6778	4490	18971	17791	10441	0	16825	11752	4694	7072	4179	5065	0	16531	18399	13222	3042	17697	5259	3237	20362	30894	26963	3812	3216	1947	3213	5804	0	2508	8480	23154	6161	18077	4950	20433	9760	7683	10779	4252	6949	0	11038	13689	0	23072	41826	0	12628	15894	8414	9611	9857	7814	2747	7201	16623	0	9766	0	6035	11512	Phytochemical	0.42857143	1.0357143	0.035714287
22	C28 H29 O12 N1	572.1763	572.17706	0.071010925	572.1763	14396	13580	14016	12241	19718	10143	0	3562	17723	69427	26863	0	20427	8584	4431	3811	3484	21892	18367	48892	44050	34172	6980	6324	3048	18192	1309	21358	3706	2399	2694	0	6737	3820	73552	2757	7610	2137	2439	29804	20397	3443	0	0	0	34942	27984	0	2475	2582	14413	10920	10743	0	20204	15355	5061	3860	7720	3671	5232	23339	30038	17355	4480	19389	5512	3351	23132	36378	28037	3066	2263	1850	1059	1952	0	1842	7174	20547	6853	21923	3836	20675	15218	11079	7710	6950	7452	2813	6130	15282	7410	29308	45809	0	13915	15032	12614	15359	13232	5259	2636	6542	27512	2932	15536	0	5500	29811	Phytochemical	0.42857143	1.0357143	0.035714287
16	C25 H33 O14 N1	572.1974	572.19824	0.053761132	572.1974	91697	84286	91696	84150	65969	59639	44547	100001	66904	126531	60961	43765	115223	31209	103257	80873	39590	109604	97834	181089	152809	118905	90779	89602	66805	48811	37027	38721	93625	91368	84991	81294	78076	61900	163053	87269	72015	57766	37293	120170	70059	46841	2568	0	0	286876	237852	0	78071	88568	77212	82551	54942	249	131684	64847	33863	66547	94808	38623	92018	79448	88737	66532	30620	68293	55396	27273	53312	80457	53031	82275	76929	95867	54320	68945	0	57796	59942	78915	53448	177290	49794	72576	68924	48842	40348	37928	44707	27645	44106	69016	112685	79268	134570	540	87150	106200	63465	37915	50124	90041	40174	102257	256770	59355	69286	0	49237	91901	Lipid	0.56	1.32	0.04
26	C29 H33 O11 N1	572.21265	572.2134	0.04682691	572.21265	3162	3650	6335	4332	8118	2729	0	0	5457	19401	10565	0	12688	2647	0	0	0	6528	5595	20193	18777	5798	0	0	0	14116	0	6259	0	0	0	0	2030	3558	17176	0	2489	0	0	13330	13343	0	0	0	0	0	13159	0	0	0	3610	6076	6223	0	7412	0	0	0	0	0	0	6737	10635	5201	0	7395	3660	0	15039	22916	22555	0	0	0	0	0	0	0	2822	0	2655	6656	0	5498	5525	0	4891	0	3720	0	2639	0	0	5020	8829	0	0	0	4255	6928	0	5003	0	0	0	2648	5833	0	0	10338	Phytochemical	0.37931034	1.137931	0.03448276
28	C29 H33 O11 N1	572.21265	572.2133	0.099584766	572.2127	3880	1376	5347	3972	5302	4289	0	0	3774	17407	3112	0	10984	1325	0	0	0	0	3236	4029	8057	5833	2016	0	0	17238	0	7341	0	0	0	1974	3050	0	15491	0	1243	1292	1448	11147	2925	0	0	0	0	4216	5311	0	950	0	6969	2298	1913	0	8159	2149	0	0	3018	0	0	3421	8355	4095	0	6732	1320	0	14970	22418	23905	1569	0	0	0	1298	0	0	1524	0	4294	1543	0	3401	4798	0	1651	0	0	6339	6629	2148	0	4984	9980	0	5043	0	4783	7577	2095	0	0	0	0	3478	3272	0	0	7877	Phytochemical	0.37931034	1.137931	0.03448276
24	C29 H33 O11 N1	572.21265	572.2134	0.025552439	572.21265	14224	9484	12719	10347	10673	9685	1681	7302	17442	40068	24741	2197	22503	8173	6230	6855	2634	21592	16153	33929	32650	15489	4946	7502	4630	30157	0	15150	4746	4588	6903	0	10626	4323	45105	7814	7536	4662	4129	33943	18308	4916	0	0	0	19937	23745	0	7342	4516	10709	11874	11716	0	15309	9490	3816	9245	8580	2929	11372	17908	18059	10993	3711	15818	7801	5446	28391	47334	41314	7933	3978	2121	2469	3333	0	4749	8350	9508	6490	17231	4549	17054	13519	5115	9279	6256	5795	8007	16402	12138	19934	14644	26451	0	13600	7839	12564	17380	8558	5694	4067	9394	13704	6192	9619	0	5597	23878	Phytochemical	0.37931034	1.137931	0.03448276
18	C26 H37 O13 N1	572.23376	572.23456	0.01676132	572.23376	111736	88264	104647	103879	65631	77619	67624	152041	96183	185593	73559	55068	138022	39454	126031	94873	47174	140449	158378	238267	157742	112528	120766	136497	119930	70104	51001	56354	169830	122879	114593	121546	123095	114892	189556	142540	116622	86982	38903	143656	55681	67373	2287	289	0	235663	116055	0	109238	117756	99849	96122	65947	250	160745	76737	49493	94981	128193	31200	111036	90172	104363	98498	47634	82084	72491	41570	58986	115036	61639	112493	105195	134071	64845	95487	0	90486	85531	55006	66764	116142	78800	75035	90005	78581	60471	41923	72026	36255	88034	112180	154698	56428	110508	448	105666	113566	71295	53128	61788	120655	66345	129979	133914	87396	67149	0	62875	108150	Lipid	0.5	1.4230769	0.038461536
16	C26 H37 O13 N1	572.23376	572.2346	0.041704524	572.23376	64117	66610	74186	71915	38361	39927	46873	108091	66186	107881	49879	42808	75815	18024	90779	77863	46901	83603	96757	133545	108434	66886	86008	91400	82236	60334	42837	36308	93357	86418	85724	87439	84714	63766	115056	93437	75706	57221	41437	80817	43122	49174	1139	0	0	135520	95429	0	72991	86337	63761	77910	44802	296	88750	50260	28658	67648	86750	37618	86638	67357	66505	64208	25786	53299	44920	36542	57949	66100	44361	69392	76766	107943	57949	67103	0	58952	58488	46141	49684	79922	57580	53732	60853	40535	47942	32841	40723	43130	59898	64007	114250	43110	78906	0	62795	88396	44483	31562	41049	88924	46491	96807	96674	63614	55134	0	51210	65121	Lipid	0.5	1.4230769	0.038461536
12	C26 H37 O13 N1	572.23376	572.2348	0.2468069	572.2339	11162	11349	9960	10172	6209	6178	14815	20932	7626	16125	5801	10297	6896	3176	13404	13106	12638	9527	12836	29971	16404	13486	17162	14875	13434	8756	8724	0	16671	13559	16676	14305	14799	14150	20468	19118	13464	14434	13379	9589	7126	10837	0	0	0	23709	14584	0	16135	12432	14473	9874	7841	0	13247	7001	4923	13411	12366	9133	0	9058	10448	9392	5185	7591	4902	14451	0	12091	8776	12037	12141	21180	13627	12554	0	12633	9362	0	9129	12703	10368	12344	8874	5601	12133	4428	4914	16692	12065	12473	16100	11373	9690	0	11530	18665	5521	7646	7023	17836	7783	15141	0	11255	8111	0	10800	5896	Lipid	0.5	1.4230769	0.038461536
26	C30 H37 O10 N1	572.249	572.24976	-0.038181964	572.249	8417	8006	7218	6192	8949	5165	2219	6699	8504	18685	15204	0	12945	4427	0	6533	0	11621	10496	20063	22253	8334	5829	0	0	29647	0	12331	0	0	4863	0	0	5949	25750	0	5432	4023	4002	18353	16591	6389	0	0	0	8724	8085	0	6279	0	9759	11529	7602	0	9148	7087	3511	3479	3482	3445	7258	10178	10020	5933	0	9034	4755	0	27581	39479	41921	0	4141	0	0	5368	0	3364	8677	6555	5250	4629	3503	11849	11306	0	7390	6239	0	5641	6842	5021	9193	5158	6552	0	5953	0	7491	11927	10422	6124	0	7957	7273	5588	6282	0	5501	8701	Phytochemical	0.33333334	1.2333333	0.03333333
16	C30 H37 O10 N1	572.249	572.24994	0.083733246	572.2491	8439	8684	9720	9297	6330	6120	5928	10086	5007	18357	15013	6581	3581	3681	5363	7822	5907	4238	5644	19145	23560	15285	5769	7806	8623	13143	4268	13377	4533	7813	7373	8232	7817	7969	22853	9290	7800	5053	9219	13882	15746	6494	0	0	0	7272	9475	0	11860	7389	9501	7224	6286	0	2814	4406	2363	13484	2877	7978	9441	8364	6096	3301	3238	5073	5484	11327	9607	18306	17770	4552	5963	6472	5519	5912	0	8153	6570	7099	5160	3739	7185	12551	2443	3735	11955	4951	4518	0	14902	12973	0	10069	10830	0	5953	11488	2294	2983	2959	10652	3599	12903	5347	0	3838	0	9073	3014	Phytochemical	0.33333334	1.2333333	0.03333333
24	C30 H37 O10 N1	572.249	572.24976	0.007925476	572.249	129488	107758	102246	113713	118744	77020	44439	107935	124589	274724	171178	54740	190677	76035	66280	84514	57795	141838	146472	271618	247631	107865	89806	92406	67130	279598	38018	161250	78976	69632	72569	75915	108450	79662	349720	89034	98728	63484	61175	180121	127682	63763	0	0	0	137377	88711	0	81055	70574	113032	113902	87755	0	160334	127053	65423	118054	81777	40736	93266	153496	156744	108432	59005	138490	92882	57641	229911	399915	296748	102858	82975	67638	54407	65997	0	62902	110397	51516	86351	74783	68232	140922	121064	87672	99683	60821	60635	55962	107430	111930	124154	82570	110284	0	121260	117301	95060	100349	116090	83167	47955	115072	67930	95046	104347	0	62642	143345	Phytochemical	0.33333334	1.2333333	0.03333333
6	C24 H37 O11 N5	572.2562	572.2569	0.20052817	572.25635	0	2700	3718	0	0	2382	944	2416	453	0	0	1782	1636	0	1432	2016	3752	1312	0	0	0	0	1700	3598	1412	0	1986	0	2154	1828	3352	2792	3852	1830	0	1848	2972	1562	3148	0	0	1072	0	0	0	0	0	0	0	2006	0	2978	0	0	2412	0	0	0	0	0	3548	0	0	0	0	1980	1712	0	0	0	0	4156	1778	0	0	2486	0	1014	1060	0	1534	0	0	0	0	0	2408	0	1530	3142	26164	9904	4460	0	0	0	2222	3026	0	0	948	0	966	0	0	4126	780	0	0	2644	Peptide	0.45833334	1.5416666	0.20833333
18	C27 H41 O12 N1	572.27014	572.271	0.019818049	572.27014	52911	43908	52881	48627	41166	29321	38842	82600	42493	54895	34186	32225	58311	17535	66073	68207	39794	55264	72929	76403	56258	43869	70136	63896	60957	25454	33254	28607	71433	59775	67820	75812	69507	55520	60976	78454	59493	55218	30692	49031	26169	38552	888	0	0	66378	27065	0	56869	64132	47979	45791	31984	0	90545	38109	25085	64226	50555	20715	68295	38779	57810	43654	21063	44497	36914	33753	27712	38571	22232	51719	56359	64082	49928	55570	0	47229	53349	21449	48603	31372	43429	27739	47915	36549	44472	22962	30204	25676	43906	61328	90223	19089	39590	0	54092	64871	30905	31813	44384	68906	32888	75167	32858	52785	31665	0	39954	41749	Lipid	0.44444445	1.5185186	0.037037037
14	C27 H41 O12 N1	572.27014	572.27106	0.07054012	572.2702	7023	12712	13058	16453	4656	4834	17444	20259	5245	6871	2319	15161	6616	1795	10576	29847	20203	3765	7629	21121	18942	5573	14471	25824	21378	7479	10053	12977	24865	24588	15205	10886	16257	16487	12537	20181	16341	16499	15432	10158	4252	8012	0	0	0	15859	5226	0	22572	24555	12295	5809	5926	0	8970	7759	5439	23651	8487	0	0	6100	5141	7290	4227	8568	8121	13782	0	9027	9670	13555	10932	15225	20602	14794	0	12521	16980	0	12136	9089	12819	6550	7864	5411	17471	4508	5841	7134	30322	17854	22674	3792	13028	0	7358	12805	6786	6602	7438	26724	13766	18373	0	16770	9130	0	14489	5026	Lipid	0.44444445	1.5185186	0.037037037
20	C27 H41 O12 N1	572.27014	572.27094	-0.02492595	572.27014	71237	74352	71132	68188	49067	56111	50272	103144	0	123812	44390	44037	116697	34445	103970	73358	30327	103299	123910	125853	90644	73311	88717	99135	87688	39615	34071	39690	102808	81823	80490	83299	94192	71961	137672	94741	95988	73710	25188	78732	20065	53756	1499	0	0	88532	36920	0	79155	78235	81163	73062	56821	0	146863	60165	37721	74407	97490	16801	87002	61037	95060	84166	33202	66247	52243	35568	27267	83893	31695	80934	78287	96254	43353	76090	0	79471	68719	30057	50447	41001	59941	39802	71504	53145	55564	39867	51952	20309	72769	88037	107281	26009	57522	0	77183	87877	47605	44582	53846	100045	48732	101065	52122	83183	56770	0	51692	114509	Lipid	0.44444445	1.5185186	0.037037037
10	C22 H46 O12 N1 S1 Na1	572.2711	572.2722	0.25183037	572.27124	1354	1162	1451	2913	0	1737	1247	3323	0	2170	0	855	0	0	1116	1480	1667	1262	2030	1863	2212	1920	1539	2809	2875	0	1389	0	3210	1999	1979	1953	3063	2138	1198	1474	3781	1001	0	2112	1146	1384	0	0	0	0	1616	0	2413	1998	1951	2361	914	0	1777	0	0	0	0	0	0	1516	0	1410	0	1155	0	3034	0	0	0	0	2735	3871	1278	2800	0	1311	1630	29912	1569	0	1915	1443	1698	1428	1873	0	1663	1673	18920	5550	4664	1553	0	0	2541	1289	0	905	0	2888	1307	4400	0	2364	834	0	1798	0	Organosulfur	0.54545456	2.090909	0.045454547
26	C31 H41 O9 N1	572.2854	572.2862	0.018341828	572.2854	13071	10824	13319	8997	11571	8151	4946	15680	12520	23055	20447	6409	15357	7465	8599	18301	9620	10808	13561	33897	27328	13481	8510	14893	9654	41353	5648	21687	14565	17394	11800	14139	13293	13877	22788	19862	15943	5388	7314	22724	21071	9044	0	0	0	15662	10478	0	13910	13784	14038	12198	13602	0	14674	14836	8430	10370	11508	5678	15034	12831	11259	11591	4998	12439	14504	9651	49759	47485	44636	13866	10891	10901	0	10627	0	8447	9067	10167	11858	9256	8763	15708	18795	9250	11991	6615	7717	10767	16897	15926	20235	9114	13974	0	13631	14432	8321	16375	15691	16469	6216	18573	6319	10974	11197	0	9346	10233	Lipid	0.29032257	1.3225807	0.032258064
22	C31 H41 O9 N1	572.2854	572.2862	0.025961172	572.2854	21473	21372	21362	24358	23440	17836	16219	34151	22596	32066	29126	22400	15243	9015	21818	38642	27243	18371	29982	43176	48104	26484	23344	36522	22658	62709	17495	30803	34101	29009	26820	30958	32987	29420	35846	31541	33195	16699	28593	32043	32433	20264	0	0	0	18661	23912	0	29527	28885	30761	26765	22849	0	20184	19211	12274	31432	24117	22326	35533	24813	18193	17768	11252	17954	20244	22808	45886	69971	61524	22444	27416	22222	18561	23859	0	20154	25163	17435	21849	18685	19298	31780	19816	16733	25009	21227	19509	27187	33626	42721	47208	21203	21915	0	29568	28040	12302	14105	17394	37927	20757	33189	16320	31062	14679	0	25265	16221	Lipid	0.29032257	1.3225807	0.032258064
20	C31 H41 O9 N1	572.2854	572.28625	0.052734677	572.28546	14804	16610	10127	13708	4706	5855	11298	22809	8537	13978	13800	9186	5168	5036	14273	18057	19512	5737	8532	20669	20337	19116	9327	19234	16229	22948	12249	12970	13720	15394	13851	13908	19815	14279	16607	15015	21435	8204	15621	17597	20620	6819	0	0	0	12754	15369	0	18410	15023	13571	19349	7366	0	7457	5830	5299	20423	11121	12894	21373	13654	4699	4297	7491	7693	10786	21451	22399	23692	29316	14661	12080	12051	16563	14639	0	7398	11671	10424	12366	6053	13586	18919	8647	6822	16175	6981	9247	20635	19665	14707	28287	9284	12785	0	10240	10434	5205	5180	5654	23810	10226	17102	6425	18168	8033	0	14104	7599	Lipid	0.29032257	1.3225807	0.032258064
24	C31 H41 O9 N1	572.2854	572.28613	-4.27607E-4	572.2854	127574	100496	118252	115029	99316	70304	46194	114328	91172	162688	154057	65658	107845	76946	86812	116772	85410	99544	148424	248389	204438	113604	99497	143558	122507	260472	48895	300396	114349	101289	104529	116880	123408	97979	205343	119710	147616	68857	83622	197298	132321	67108	0	0	0	113886	80548	0	113014	116678	120622	109475	93413	0	125513	115633	54445	131873	82311	58177	129415	114511	86737	112918	37179	89322	92118	89370	233213	541551	314143	93191	89830	91692	62656	88533	0	65528	109124	67161	84786	67163	77399	144484	106060	68012	129457	73123	94428	90042	124285	146707	186748	96764	107050	0	126154	111296	79399	85814	90690	159471	59834	148154	60793	118472	73695	0	81983	96027	Lipid	0.29032257	1.3225807	0.032258064
8	C25 H41 O10 N5	572.2926	572.2936	0.23026645	572.2927	4348	5133	5580	5725	777	3773	0	0	0	1438	11438	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	114533	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5625	6864	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	130728	0	0	0	0	0	0	0	0	0	0	643621	277592	0	22199	6665	0	5147	5161	0	660	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.64	0.2
10	C25 H41 O10 N5	572.2926	572.29346	0.14214443	572.2927	5951	5474	8693	5393	0	1430	0	0	0	2371	9799	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	92271	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5272	5259	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	100555	0	0	0	0	0	0	0	0	0	0	787320	299271	0	20211	5813	0	5471	6018	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.64	0.2
6	C25 H41 O10 N5	572.2926	572.29395	0.4282444	572.29285	2171	2530	2908	1349	0	3671	505	762	0	0	1777	0	0	0	676	0	3658	0	0	0	0	0	680	0	0	0	0	38894	785	0	0	0	1157	0	0	728	872	0	1873	0	0	0	0	0	0	0	0	0	0	716	2001	1411	0	0	0	0	0	1350	0	0	0	0	0	0	0	0	0	3633	0	0	0	0	0	593	0	0	0	0	0	58822	719	0	0	0	622	0	0	0	0	0	152866	51858	0	6517	1526	0	2001	1229	0	0	926	1325	0	0	0	782	0	0	0	0	Peptide	0.4	1.64	0.2
12	C25 H41 O10 N5	572.2926	572.29315	0.4056642	572.29285	0	3230	0	2102	0	0	0	0	0	0	5351	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	36695	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2238	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47777	0	0	0	0	0	0	0	0	0	0	238288	103678	0	7409	1722	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.64	0.2
22	C28 H45 O11 N1	572.3065	572.3073	-0.006576805	572.3065	34683	25777	26552	31155	21751	23912	28674	42463	33357	31751	11886	11588	46465	12789	35487	21677	13764	44275	43880	32857	26208	19013	31599	35174	37532	8870	19469	13069	39350	32912	36689	33739	43616	25722	40189	40074	47491	32388	11214	20952	4389	16680	0	0	0	23214	7901	0	34347	29497	24977	25795	24456	0	59795	35667	12770	27431	37305	8214	36379	13739	39487	39303	14024	30810	21489	9771	7720	24253	5773	27532	27485	34438	11828	26854	0	23174	21946	6051	21334	10421	36668	17854	30135	23371	27250	11041	22921	13057	39404	44636	36754	7728	17254	0	23312	29104	14720	21321	23888	39809	22039	31464	15778	25686	17973	0	20357	45122	Lipid	0.39285713	1.6071428	0.035714287
20	C28 H45 O11 N1	572.3065	572.3074	0.05735354	572.3066	15720	12622	14740	17275	13458	11873	18108	25868	18276	14085	5750	16246	19593	8974	26418	21515	13285	20349	28670	18335	14533	6086	20522	21093	24201	8029	18142	10094	34195	25694	22034	21261	26927	19030	13184	24817	30332	17180	23244	8725	4034	12924	0	0	0	11288	5220	0	19382	27349	14213	16076	15054	0	34001	16259	10346	19951	19719	5020	28925	6248	18485	17703	9514	17425	13658	15898	2305	4567	5120	21905	18905	31130	18974	20290	0	21175	15916	7477	12424	5480	26895	9496	21012	15361	19997	10083	14490	8713	21422	28625	27728	3480	6152	0	18213	20916	8442	13597	13874	32755	17064	24808	5470	16183	15377	0	18533	18636	Lipid	0.39285713	1.6071428	0.035714287
18	C28 H45 O11 N1	572.3065	572.3074	0.04638101	572.3066	7684	8959	2974	8451	3928	6110	8816	17484	4827	2566	2965	7238	9286	3194	11272	11617	9981	4884	7916	8208	4756	5193	9604	9634	10663	2609	7591	4270	23367	15606	16592	21936	14213	8533	4234	19371	14809	8481	8409	1316	0	3830	0	0	0	5865	0	0	12525	13532	5102	7234	3428	0	11229	6421	4535	9380	6710	2708	11444	1254	4113	5847	3042	4048	5170	8251	1169	1744	2058	6187	9462	20169	13432	12767	0	8632	5515	1883	7257	2976	6191	2421	7543	5430	7070	2602	7306	10133	13481	7271	11923	1725	1476	0	11254	11988	4740	3250	5435	14239	6270	8911	2642	5828	4782	0	5386	6596	Lipid	0.39285713	1.6071428	0.035714287
24	C32 H45 O8 N1	572.3218	572.3225	-0.0180957	572.3218	14304	11813	9742	14081	6014	7063	6798	21309	7110	11149	17461	8217	7106	6388	12457	21296	16729	7692	21726	19452	17181	7031	11367	17016	15316	35285	9864	19223	19294	21015	13693	17704	22898	15979	8534	22394	21396	11976	18466	21629	12535	10783	0	0	0	12612	11662	0	23211	17908	10209	15235	10265	0	8174	7578	6850	16302	11232	13547	20983	12271	5943	7382	4019	9612	11342	19502	23514	27150	21437	8781	13624	17735	13081	20391	0	9894	12097	10901	9541	6374	12552	13768	10895	9802	14952	9533	11505	15616	18673	18827	17910	6450	10676	0	13764	13954	6785	10279	13686	26145	8372	20493	5147	18592	9330	0	15012	6721	Lipid	0.25	1.40625	0.03125
26	C32 H45 O8 N1	572.3218	572.3226	-0.023121707	572.3218	11993	10093	11735	9174	9417	6865	7745	13619	8970	7553	12988	6155	6958	6237	8834	14352	11724	7738	14824	22788	19539	8329	8593	15861	17948	34368	6498	15527	19855	20065	13892	17242	22506	14958	10907	20095	19271	11075	12161	17957	15238	10352	0	0	0	13089	0	0	16799	20155	11039	11578	8837	0	10039	12296	4787	16044	14115	7670	19748	7429	8355	8400	4247	9907	9046	10262	24873	26410	26732	13022	12536	13259	0	12550	0	7209	11991	6147	6993	6575	9568	15393	10839	0	15248	9652	9121	13723	13734	17379	24642	9591	7061	0	10683	11785	8248	12774	15668	23881	7087	18823	0	13630	8693	0	9655	9543	Lipid	0.25	1.40625	0.03125
10	C26 H45 O9 N5	572.329	572.3299	0.3059592	572.32916	1110	0	994	2032	0	4342	0	0	0	0	0	0	0	0	881	0	0	0	0	0	0	0	0	0	1564	0	0	15428	0	0	0	0	0	0	0	0	0	1087	0	0	0	0	0	0	0	0	0	0	0	0	2474	2140	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	105068	0	0	0	0	0	0	0	0	0	0	230323	88058	0	6596	0	0	2474	1823	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.34615386	1.7307693	0.1923077
14	C29 H49 O10 N1	572.3429	572.34375	0.27819106	572.3431	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	32386	0	6280	0	0	0	0	0	0	0	0	0	0	0	0	0	93022	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3490	2788	0	0	0	0	0	0	0	3004	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	28979	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3448276	1.6896552	0.03448276
16	C29 H49 O10 N1	572.3429	572.34393	0.33542565	572.34314	0	0	0	0	2454	0	0	0	0	0	0	0	0	0	0	0	0	19369	0	0	0	0	0	0	0	0	0	0	0	0	0	28572	0	0	0	1394	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1736	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15407	0	0	0	0	0	1469	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3448276	1.6896552	0.03448276
24	C29 H49 O10 N1	572.3429	572.3436	0.045813132	572.34296	4835	4548	2222	3042	4314	4207	28047	6825	4144	2583	1568	2826	5395	5490	5540	7746	2390	7750	13011	2246	2056	1725	3577	3139	5119	0	16805	2918	6749	5957	3688	6762	9987	5146	2518	8062	9346	4501	2577	0	0	3275	0	0	0	1576	0	0	6941	6277	4905	5861	2601	0	12208	3896	3045	8098	6847	871	6518	1191	5029	5714	3683	7022	4741	2784	0	2746	0	4142	7561	10243	3508	5747	0	5590	3415	1357	2187	1487	19092	6825	6595	0	2566	2264	3935	2722	6659	9860	8609	0	0	0	4334	5283	2099	5573	4778	5899	3952	3727	2928	2624	3439	0	2248	6909	Lipid	0.3448276	1.6896552	0.03448276
24	C33 H49 O7 N1	572.35815	572.35876	0.059756003	572.3582	1256	0	1442	1901	0	0	1810	5922	0	0	0	3143	0	0	3680	24360	5411	0	0	0	0	0	0	0	1279	0	1774	0	5118	5487	6395	2046	0	1096	0	5693	1517	4126	4490	0	0	0	0	0	0	0	0	0	2034	4804	909	1397	0	0	0	0	0	3101	0	1440	11003	0	0	0	0	0	1037	3658	0	0	0	0	0	7767	5416	1606	0	2944	1679	0	0	0	1153	0	0	0	1977	0	1128	2341	1923	1583	0	0	0	0	0	1765	0	0	0	2082	4030	1635	0	2711	0	0	1137	0	Lipid	0.21212122	1.4848485	0.03030303
22	C26 H53 O12 N1	572.3641	572.3656	0.27427393	572.3642	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	676	0	0	0	0	1135	0	0	0	0	0	4184	3657	3518	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1378	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21495	0	0	0	0	0	Lipid	0.46153846	2.0384614	0.038461536
14	C27 H49 O8 N5	572.3654	572.3663	0.14961118	572.3655	0	0	1537	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46848	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1702	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	93499	0	0	0	0	0	0	0	0	0	0	287154	132921	0	3003	0	0	2688	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2962963	1.8148148	0.18518518
26	C30 H53 O9 N1	572.37933	572.37946	0.0223416	572.37933	0	0	0	0	0	0	37081	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20504	0	7820	10163	2728	0	2418	2492	0	5161	0	0	0	0	0	0	0	0	0	0	0	0	6417	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3092	0	0	0	0	0	0	4016	2662	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3	1.7666667	0.03333333
24	C27 H57 O11 N1	572.40045	572.40106	0.047999445	572.40045	20132	17074	19084	21200	9622	20286	0	0	3884	16006	4344	0	54292	43598	2538	0	10446	0	0	0	2742	0	0	0	7578	4308	2350	14470	0	0	0	2914	0	3162	6212	0	0	1674	14340	3842	0	19952	22432	0	0	0	4146	0	3056	0	17828	19800	10112	123434	0	0	25876	4850	52078	0	0	10348	25078	5728	110850	582054	1320781	14616	0	8656	0	2220	0	0	0	0	0	0	0	31038	0	43146	0	0	3560	25556	0	5072	6712	0	58992	31690	0	0	9008	0	18488	19186	5380	0	13768	0	0	4382	70370	0	0	0	1834	4894	Lipid	0.4074074	2.1111112	0.037037037
22	C27 H24 O14	573.1239	573.12476	0.25416276	573.124	12323	10869	9825	11555	22285	15709	2219	0	27620	35368	13509	3254	49225	9357	4825	0	0	27421	21376	17404	20494	38354	5767	3053	4819	7960	2061	5291	1340	0	1429	0	3868	0	52957	2009	2596	4203	1332	15608	5933	2470	0	0	0	26111	24991	0	2122	1930	16101	11070	12689	0	39250	24331	8573	4037	3601	2832	2103	6210	62706	23695	11276	27631	7608	1591	6725	12173	8825	1752	0	0	0	1178	0	0	15860	15732	12732	22116	2470	7739	36866	17677	10374	3962	6295	2072	6573	7836	3281	35618	39394	0	14995	13865	20160	27864	23311	1883	1713	2159	18039	1941	21296	0	1819	45791	Phytochemical	0.5185185	0.8888889	0.0
26	C27 H24 O14	573.1239	573.12476	0.20426215	573.124	7025	6267	4962	3395	9492	6046	0	0	12364	14987	3338	0	28570	5980	0	0	0	13954	8341	6877	7766	8135	0	0	0	0	0	0	0	0	0	0	0	0	19435	0	1915	3056	0	3124	0	0	0	0	0	8050	9991	0	0	0	3938	5887	5105	0	12077	9448	4551	0	0	0	0	0	20404	8518	2879	10024	2303	0	0	7389	4718	0	0	0	0	0	0	0	5443	0	5101	6235	0	0	14448	0	1933	2651	0	0	0	2386	0	7985	14938	0	5547	0	5083	11330	6172	0	0	0	0	1707	6991	0	0	21282	Phytochemical	0.5185185	0.8888889	0.0
14	C27 H24 O14	573.1239	573.1248	0.13570864	573.12396	10464	6037	8207	8051	15504	5243	1954	0	17522	35196	13685	3853	27368	4680	2087	3184	0	10590	10872	10780	18964	24118	3547	0	1913	4343	2944	8279	0	0	0	0	2223	0	47676	0	2215	4517	2049	5478	11845	4022	0	0	0	12275	25723	0	1866	0	10226	7504	9235	0	15976	14624	6277	4032	0	0	0	8609	30198	12161	5455	16562	4941	1769	0	7253	9969	0	0	0	0	0	0	1349	9743	0	6001	12731	1448	4041	25549	6522	8804	4184	3497	0	0	0	0	32979	23454	0	9876	4991	15526	23534	20163	2608	2636	2321	0	2523	13336	0	3714	21992	Phytochemical	0.5185185	0.8888889	0.0
18	C26 H24 O13 N2	573.13513	573.1361	0.15215927	573.1352	3394	5800	3133	3737	4986	3704	1079	2759	6210	9271	4788	1807	16585	2742	2040	0	0	6387	8194	4378	12789	20094	2397	3491	3200	0	0	4006	0	0	2901	0	3292	0	15533	0	1831	0	2392	13065	8153	2525	0	0	0	14247	20671	0	0	0	6414	4825	3383	0	16046	7556	2371	1491	2257	0	0	11964	18937	11472	1658	12080	3316	0	2824	2250	3047	1827	0	0	0	0	0	0	5581	9884	4050	18692	0	5806	9181	4054	1766	1223	2441	2959	0	4575	4734	17884	24548	0	8278	5696	5867	6953	8141	2876	0	3222	10796	0	6706	0	1623	11621	Phytochemical	0.5	0.9230769	0.07692308
14	C26 H24 O13 N2	573.13513	573.1361	0.18774001	573.1352	5205	3813	5174	3237	5222	5121	2205	0	6403	13185	7246	1528	16202	0	1205	0	0	5146	6502	8336	10193	17155	0	0	1492	1649	0	0	0	0	0	0	0	1256	11545	0	0	2010	0	6283	15439	1713	0	0	0	11365	22405	0	1944	0	3741	0	2871	0	8861	4369	2617	3994	0	0	0	9269	17827	12478	2313	9040	3763	1551	0	2801	3662	0	1137	0	0	0	0	1189	4837	15407	2682	11558	0	4073	6632	0	3264	0	2147	7074	0	2115	0	15767	22572	0	5125	5408	6065	8702	7576	0	0	0	0	1451	3669	0	1132	13544	Phytochemical	0.5	0.9230769	0.07692308
18	C23 H28 O13 N2 S1	573.1385	573.13965	0.20521137	573.1386	3394	5800	3133	5992	4986	3704	1079	2759	8390	13113	6699	3575	16585	2742	2040	0	0	8248	11496	8226	15838	20094	3845	4881	3200	2517	0	6417	0	0	2901	0	3292	0	15533	0	1831	0	2392	16266	11454	2525	0	0	0	14247	20671	0	0	0	6414	4825	3383	0	16046	8898	4001	1491	2257	0	0	11964	18937	11472	3500	12080	3316	0	5206	7908	6424	1827	0	0	0	0	0	0	7650	9884	4050	18692	0	7681	9181	5526	5149	1223	2441	2959	0	4575	8881	20385	26749	0	8278	5696	5867	6953	8141	2876	0	3222	10796	1687	6706	0	2795	11621	Organosulfur	0.5652174	1.2173913	0.08695652
14	C23 H28 O13 N2 S1	573.1385	573.1403	0.31566387	573.1387	5205	3813	5174	3237	5222	5121	2205	0	6403	13185	7246	1528	16202	0	1205	0	0	5146	10016	10590	12148	17155	0	0	1492	1649	0	0	0	0	0	0	0	1256	11545	0	0	2010	0	6283	15439	1713	0	0	0	11365	22405	0	1944	0	3741	0	2871	0	11013	4369	2617	3994	0	0	0	9269	17827	12478	2313	9040	3763	1551	0	2801	3662	0	1137	0	0	0	0	1189	4837	15407	2682	11558	0	4073	6632	0	3264	0	2147	7074	0	2115	2016	15767	22572	0	5125	5408	6065	8702	7576	0	0	0	0	1451	3669	0	1132	13544	Organosulfur	0.5652174	1.2173913	0.08695652
22	C19 H33 O16 S1 Na1	573.146	573.1474	0.2704565	573.1461	5499	4005	3830	3062	2959	2901	1415	1690	10822	25037	17904	0	7484	0	0	1924	0	5032	6110	26858	20342	15002	3688	1555	1753	9669	0	16046	0	0	0	0	1778	0	54774	1535	1522	0	0	14636	9523	2123	0	0	0	10350	7220	0	0	0	2476	2430	2667	0	7833	2359	2520	0	1707	1740	0	6637	7066	4316	0	4460	0	1651	16700	31928	13434	0	0	1343	0	0	0	0	1987	9140	0	9008	1653	9756	5335	2688	2310	0	0	2091	4384	4228	1662	13770	23871	0	2865	3573	2868	5962	0	0	0	4167	12240	0	1747	0	1598	5350	Organosulfur	0.84210527	1.7368422	0.0
14	C28 H28 O13	573.1603	573.1612	0.10253928	573.16034	14714	21259	16395	16096	12137	9011	6316	5482	16563	60877	41732	5760	16172	9435	6440	8330	4821	11748	18193	30285	31517	25916	8096	7281	7283	20090	6010	12289	4521	3747	4397	0	6931	3226	64236	6295	8370	4493	4109	17654	16010	4741	0	0	0	18681	37931	0	5374	3942	10977	12982	13107	0	13353	14592	7234	5217	7371	0	0	14440	19289	15257	5029	11656	6677	7673	16591	23043	29646	6172	4798	4117	6879	5067	0	6305	11418	0	8447	20385	6605	14362	14674	8709	11426	10060	5963	8814	6526	8665	8794	23556	24318	0	14706	16192	19341	15766	15917	5810	4962	10767	0	3645	15978	0	5864	18000	Phytochemical	0.4642857	1.0	0.0
26	C28 H28 O13	573.1603	573.1612	0.21634772	573.1604	9244	5452	7095	7072	12877	7496	0	0	17300	27521	5843	0	31271	4197	0	0	0	17113	14125	15212	17272	14361	0	0	0	12154	0	5606	0	0	0	0	0	0	31178	0	3214	3112	0	8189	7087	0	0	0	0	11893	13776	0	0	0	8034	9709	5211	0	17507	15281	5239	0	0	0	0	5048	24433	8426	2575	15108	4493	2334	7656	16196	14769	0	0	0	0	0	0	0	7413	0	5056	9770	0	7213	17357	0	7228	0	5860	0	2446	3230	0	10012	23227	0	8187	5364	5406	11582	9653	0	0	0	8562	2122	10144	0	0	20653	Phytochemical	0.4642857	1.0	0.0
8	C27 H28 O12 N2	573.1715	573.1725	-0.04617567	573.17145	14205	22874	13432	18183	12994	7217	14040	11625	19666	42145	5790	11350	27017	5470	4780	7825	13200	13505	28305	29614	35094	27553	13770	17350	9145	4524	12414	0	7020	11190	13100	21359	10160	0	46707	6510	20620	14508	26520	29481	38673	9359	0	0	0	30115	46184	0	13020	13086	18638	28390	9346	0	23412	15165	7581	14328	13680	13825	0	12200	27603	25045	0	9692	5755	20365	0	5628	13988	14300	14395	4440	23124	7300	0	9905	19707	0	9430	17309	13702	18539	5276	0	14450	14829	11599	29790	0	0	31635	24022	28497	0	24033	6804	12431	20888	8968	12425	10792	23870	0	17180	7432	0	13613	23544	Phytochemical	0.44444445	1.037037	0.074074075
12	C27 H28 O12 N2	573.1715	573.17255	0.22950296	573.17163	6824	12556	8252	10156	10350	9477	6044	11392	11866	39428	14240	9832	25248	8118	7722	6056	0	15394	19222	21408	41516	43278	8648	16232	8953	13102	3714	0	4404	0	5582	6974	10452	3276	67860	5378	8138	5190	7868	41774	40706	2400	0	0	0	35114	34712	0	6510	4792	11546	11164	12371	0	15022	12662	4944	7220	0	0	0	27462	28256	12458	6066	15244	12282	10946	0	25020	23736	5812	4990	5552	4702	5548	0	4306	11270	0	8410	22858	7496	22878	15184	7412	9350	4356	8624	0	9804	19080	16878	29786	30702	0	18924	9762	11436	10472	14580	7840	5486	10930	0	8324	7206	0	9714	22720	Phytochemical	0.44444445	1.037037	0.074074075
22	C24 H32 O12 N2 S1	573.17487	573.17615	0.58335805	573.17523	6263	7156	6533	5104	3328	5162	0	3594	6845	20449	11502	0	8991	0	3834	3579	0	10682	5250	9828	12463	12980	3480	3039	4631	22118	0	13319	1257	1644	2871	0	4305	0	29113	2734	0	0	1677	12566	10078	2116	0	0	0	15719	7726	0	2214	2581	8203	8624	8494	0	8058	4089	1657	2298	3924	0	2221	10104	12695	5445	0	4569	4942	1553	29586	21735	38707	1231	0	1025	1612	0	0	2320	6531	9195	3163	5922	1034	10217	6915	3430	2634	3639	5095	2979	3198	5856	7623	12825	14808	0	3436	5645	6960	6221	3854	0	0	3851	6814	3499	6957	0	3368	5127	Organosulfur	0.5	1.3333334	0.083333336
26	C29 H32 O12	573.19666	573.19745	0.13251004	573.1967	11011	14829	11275	12261	19965	12408	0	0	22241	40430	14025	0	33560	11244	7968	0	0	22125	23023	29700	28757	17852	6910	7864	5706	28741	2946	12630	0	0	0	6788	7015	3641	50594	0	7782	5934	3329	16908	17095	0	0	0	0	20714	14389	0	5981	0	13741	13503	10167	0	22596	19560	8711	6068	6139	3799	0	12196	31942	16005	5969	17245	8633	3358	27226	45064	39715	5435	0	0	0	3815	0	0	10820	10475	10641	11377	5678	12174	20351	12963	8165	5097	5225	4942	8853	13353	8904	16858	23297	0	11912	10136	12908	16686	17291	6298	4587	9038	12013	4622	14732	0	4276	30975	Phytochemical	0.41379312	1.1034483	0.0
16	C30 H36 O11	573.23303	573.23395	0.06062992	573.2331	38923	33530	38689	42388	27454	11471	24945	31821	22064	52689	36699	24761	21824	12347	23496	43593	31419	24840	29841	59133	61356	36249	24332	39660	21790	52105	26976	28743	26805	31905	30498	35132	32281	20885	51134	37278	32742	28925	38265	38431	42008	12465	503	0	0	36088	35485	0	33245	27166	40600	39632	21569	0	35082	23409	15839	34299	25409	26761	33908	26947	32992	23068	16921	25136	19070	33679	35904	63402	70263	26351	24551	29572	35007	31703	286	25331	45792	25870	32584	28254	31881	32152	33753	15960	44689	14285	20326	59769	20606	31323	40709	29162	33857	0	36441	31628	23976	25567	26762	32551	20614	35640	18649	34931	26089	0	33653	25395	Phytochemical	0.36666667	1.2	0.0
26	C30 H36 O11	573.23303	573.2339	0.06488455	573.2331	27440	25098	25866	26654	36629	23314	8290	17696	39683	61727	31296	8857	60908	21183	14377	16219	10297	40610	39845	57801	66290	29549	25936	16785	15584	53153	7058	32350	16663	13163	13907	15461	17721	13371	75512	12714	20217	13788	11514	38341	28600	14857	0	0	0	28604	23472	0	16316	13962	24964	22959	25839	0	42995	32021	17504	22383	15426	7224	16304	21672	49476	33706	11113	41782	16040	9978	45790	90928	71527	16810	11675	9493	9454	11660	0	13073	30023	13568	21139	18172	10657	25709	48509	14891	24305	10148	16134	10707	17755	20372	22738	16254	26812	0	27360	27643	27300	43092	37035	17055	8798	18593	16898	14146	28201	0	13230	47624	Phytochemical	0.36666667	1.2	0.0
20	C30 H36 O11	573.23303	573.2339	0.056014877	573.2331	137660	147577	136484	125389	116801	91364	73431	128246	145957	289923	178865	73523	179411	83220	117157	134971	73239	142886	177325	297291	284007	151654	124491	126172	109290	250246	69700	143170	141844	108768	110663	89792	146147	95896	361043	98724	160369	100221	78623	198648	149474	68411	2458	0	0	155663	132480	0	125449	105549	145426	152164	102684	305	163953	127983	62499	124714	116493	59946	117972	135253	188208	136618	73755	138692	87630	96765	184832	343953	310523	103849	110119	101793	81261	96442	0	93482	143716	90868	108372	101462	92902	173109	134547	77476	128225	66222	76499	107904	140178	149199	168497	111765	138361	0	155930	153599	115971	116228	107968	116788	73000	127266	108549	106820	97672	0	91006	166062	Phytochemical	0.36666667	1.2	0.0
12	C29 H36 O10 N2	573.24426	573.2453	0.2752785	573.24445	8994	9130	7986	6836	6974	2870	8752	10926	3746	12034	9820	4314	4338	1508	8042	9358	0	2954	4892	23676	20059	11512	6224	9018	9456	4807	8468	0	13625	7954	8314	8212	17554	7526	21808	8574	9934	5926	11598	14260	19798	6502	0	0	0	9076	7740	0	11186	7490	14226	4914	5008	0	4632	2270	2998	17184	0	0	0	14884	6074	4596	2206	4934	4868	14566	0	10682	13624	5906	10736	5530	4762	8870	0	5138	9476	0	5606	2944	5156	8534	2224	0	10652	2606	5870	10072	12968	7072	17928	12276	16952	0	7298	9780	6786	1912	0	14732	6976	15694	0	12488	2730	0	8880	6298	Phytochemical	0.3448276	1.2413793	0.06896552
24	C31 H40 O8 S1	573.25165	573.2524	0.4696053	573.25195	32970	19154	18818	22699	10968	13706	10758	20417	11022	43102	76287	17246	18681	11627	21658	8764	0	14862	27499	53514	54154	54520	6740	23442	22084	69876	5928	62683	16220	16091	7470	17619	14120	15674	58948	6308	13972	5078	12814	50918	39802	7564	0	0	0	39112	25496	0	15103	10683	18545	27812	10202	0	24751	9348	5846	14950	18199	15468	13012	27024	18956	19851	7116	23814	13565	24496	44428	74270	72953	23110	16337	11236	9234	6658	0	12825	13440	40308	7728	14630	23130	65053	14654	8324	22546	17194	14115	24876	61480	79269	48861	82422	87386	0	21204	28600	8756	18271	11018	18242	11697	25320	16148	21906	8134	0	15175	22417	Organosulfur	0.2580645	1.2903225	0.0
28	C31 H40 O10	573.2694	573.2702	0.002864668	573.2694	11977	10349	9473	10740	14893	7526	4391	10695	13859	19104	10188	3205	20053	7638	7433	9395	5240	10655	16981	20930	20768	8981	10415	12988	7876	26318	5759	13489	10183	7774	7601	6428	10651	5648	26798	8435	11823	6925	7305	14857	12600	4613	0	0	0	7301	5084	1659	9387	8687	12931	11856	9690	0	19043	14632	5804	9812	6849	3694	8115	6419	20453	12805	5652	15893	8822	7406	24621	39195	33161	6262	5031	7426	4058	8329	0	3782	11239	8023	8347	5525	8018	11779	19814	7749	14420	5905	5748	7890	12705	10759	11691	7874	9126	1755	11887	9977	9836	19403	16428	8933	4208	9549	4867	7995	12130	0	6157	14195	Phytochemical	0.32258064	1.2903225	0.0
26	C31 H40 O10	573.2694	573.27026	0.02788378	573.2695	52400	46361	51986	50562	57791	41430	24539	51594	62468	91308	58904	30341	99852	44757	48678	35556	26782	74225	87606	119860	112907	50576	51643	54035	41878	103832	18432	63471	47041	50247	43449	40578	53174	39229	120804	46069	56771	41626	28162	78770	50622	29158	0	0	0	52850	32735	0	43620	40654	49460	52100	46028	0	89208	76950	30628	47176	48395	19958	61983	46257	80818	58011	22269	65312	38063	26642	96491	159067	114479	37524	38815	33204	25988	36956	0	29536	59687	31114	49114	27883	36879	53041	73402	39241	56720	34669	34368	31153	51589	51910	60575	30298	54435	0	49719	61973	38254	69702	70613	52146	30287	57600	35219	37801	47872	0	35201	73018	Phytochemical	0.32258064	1.2903225	0.0
16	C31 H40 O10	573.2694	573.27026	0.037804645	573.2695	12807	11555	13873	13279	4765	4694	12554	13084	6160	8521	10018	7783	2655	2092	9388	15928	22455	2320	7257	11601	8892	9365	11801	11964	10985	10667	13278	7775	10421	12425	12137	16923	16719	7647	14514	14910	9976	15072	23215	7909	14608	5346	0	0	0	7656	6393	0	17957	15620	10136	10648	5096	0	8768	7053	4812	17339	8596	10500	10976	5385	5737	8200	3566	3505	5617	21256	4831	9177	13947	3651	12413	14120	15411	14228	0	9793	17230	8292	13911	3778	11187	8721	7830	7807	14295	3875	5479	0	14667	10693	0	5491	8513	0	13588	9442	4822	9817	8439	9030	10288	12820	0	0	8319	0	15201	6141	Phytochemical	0.32258064	1.2903225	0.0
22	C31 H40 O10	573.2694	573.2702	0.040463645	573.2695	172755	175742	153376	160324	140082	107306	101329	167581	169280	285090	195698	87921	169433	95252	136000	162554	97122	169300	183691	312117	285645	155044	154693	164633	145542	283919	82189	190230	157748	129183	136259	161366	175097	119035	339589	155064	185588	114729	128303	222381	145437	91116	2560	0	0	151440	110806	0	148899	138013	160012	169740	120057	382	220952	148997	96944	146810	139856	80661	173774	139768	191770	148975	80688	153190	113762	120092	226122	405664	300775	126633	111091	120834	90432	134482	271	108100	170906	91932	137333	88323	115178	144729	153807	101572	171608	87131	101461	139306	185577	207118	206767	104002	154085	0	158850	177401	115814	143079	141492	184523	98048	181417	83501	146242	125978	0	127861	174133	Phytochemical	0.32258064	1.2903225	0.0
20	C30 H40 O9 N2	573.28064	573.2815	0.021725064	573.28064	123286	108523	112884	106383	90377	52880	78008	116599	98859	146826	104285	70420	106479	57152	115481	129894	95616	89830	127126	198940	164036	104663	99759	117181	117240	145508	71070	105832	115472	101358	97434	110435	119311	90704	179472	104754	122015	80500	101804	133903	104753	80245	861	0	0	97451	81024	0	96428	98491	111328	108874	75237	0	121495	95503	56141	123812	96643	71620	120888	79858	117466	102677	56084	89683	69300	110583	124350	199791	202642	85965	95576	91488	99753	101648	0	78215	149885	70572	93257	57693	96194	119376	110249	63435	127217	54628	71420	126215	125497	113326	165392	66286	106388	0	116659	121179	77519	105045	90339	129190	75559	122772	66874	109587	83198	0	110519	113087	Lipid	0.3	1.3333334	0.06666667
26	C35 H40 O7	573.28467	573.2851	-0.08953095	573.2846	4181	0	0	4420	3336	0	0	9016	3738	0	8533	4067	0	0	0	6908	0	0	0	0	0	0	0	0	0	25860	0	7078	0	0	4898	7183	5381	4505	3869	7395	3611	3881	5686	5693	7450	0	0	0	0	0	0	0	5542	8286	4930	0	0	0	0	0	3421	4127	0	0	0	0	0	3083	0	2428	3431	0	22986	9061	13225	0	0	0	0	3937	0	4588	5743	0	4255	3313	0	5659	6194	0	4548	3540	0	5535	4176	3156	0	3165	0	0	5026	0	0	10013	7312	0	3445	0	0	4806	0	0	4300	0	Phytochemical	0.2	1.1428572	0.0
4	C32 H44 O7 S1	573.288	573.289	-0.116152465	573.28796	0	0	0	0	0	1784	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1743	0	0	0	6659	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	47604	0	0	0	0	0	0	0	0	0	0	20920	4694	0	1725	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.21875	1.375	0.0
6	C32 H44 O7 S1	573.288	573.2888	-0.20629926	573.2879	807	0	615	0	0	1673	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15036	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	104822	0	0	0	0	0	0	0	0	0	0	61695	15390	0	7425	0	0	0	962	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.21875	1.375	0.0
26	C32 H44 O9	573.3058	573.30664	0.023354165	573.30585	76473	74866	76597	65342	72890	46851	48993	90678	90485	87373	77743	39678	95977	55645	74065	89900	47216	90842	126626	157353	113533	71348	60751	78887	84082	124054	43940	89607	105423	77053	75081	81882	98078	59428	138973	84132	103417	55271	59658	100009	60878	54410	0	0	0	72390	36982	0	87381	75193	71841	81509	62283	0	128704	120119	47399	86400	73287	36493	93647	65043	89865	80319	34461	75800	69497	63701	116184	165994	122221	62741	64726	73749	59345	72238	0	46973	85471	45788	60580	41851	71039	76840	103967	61991	75032	41834	60981	54534	88621	97636	99689	46148	69873	0	69822	80366	50927	92690	112899	119466	38790	98107	47144	61845	61590	0	60699	69429	Lipid	0.28125	1.375	0.0
28	C32 H44 O9	573.3058	573.3066	-2.96055E-4	573.3058	16887	16334	14147	14356	15383	5652	13092	15163	15314	17521	13268	6254	20019	9243	14997	12812	12430	13479	23366	21645	14406	11454	11799	13657	18387	30027	13774	17630	21420	18118	12958	15766	23995	12299	21885	15310	24329	12538	12923	16678	13903	11242	0	0	0	8968	5380	0	17530	13041	12881	13680	10801	0	25294	21719	6965	14994	12205	6563	17303	10125	16908	14682	6737	16511	12767	15431	24229	34359	30239	9897	11817	10964	6916	11629	0	9822	19289	7534	12326	8169	18476	15347	21538	10293	21187	6286	7429	11339	14254	20391	17629	10846	8264	0	14506	13336	8662	28049	29866	22709	9036	19218	6243	15090	13651	0	12062	10823	Lipid	0.28125	1.375	0.0
8	C33 H48 O6 S1	573.32446	573.32526	-0.05132423	573.3244	1938	1594	1427	2157	0	4420	0	0	0	0	2477	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	92873	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1554	2256	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	191065	0	0	0	0	0	0	0	0	0	0	191668	73750	0	11997	0	0	1099	2585	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.18181819	1.4545455	0.0
6	C33 H48 O6 S1	573.32446	573.3248	-0.20706853	573.32434	0	998	0	0	0	4669	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34159	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1053	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	77638	0	0	0	0	0	0	0	0	0	0	76208	25181	0	4368	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.18181819	1.4545455	0.0
10	C33 H48 O6 S1	573.32446	573.32526	-0.14501478	573.32434	1986	2477	0	1912	0	3102	0	0	0	0	3303	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	63245	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3048	1465	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	145511	0	0	0	0	0	0	0	0	0	0	262190	96276	0	14582	2528	0	1939	1744	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.18181819	1.4545455	0.0
4	C32 H48 O5 N2 S1	573.3357	573.33606	-0.39153937	573.33545	0	0	0	0	0	1877	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	14563	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24847	0	0	0	0	0	0	0	0	0	0	18504	1523	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.15625	1.5	0.0625
22	C33 H48 O8	573.3422	573.343	0.030358296	573.3422	6050	5369	7570	9036	3226	2212	9346	7222	9525	1673	3090	6914	4091	0	5333	13254	17903	2718	6882	2005	2785	2257	6657	6292	8432	2956	12962	6195	8963	12680	7809	10155	7787	3643	2392	10132	7843	10161	20778	2423	6737	3114	0	0	0	3254	2549	0	7448	7068	8552	8258	7716	0	12712	10357	5075	8186	5015	5815	5692	1204	6558	7746	5178	4255	4223	26228	2882	2673	4234	4770	5569	11485	17397	7823	0	5071	9656	3921	7476	1460	6532	2302	7831	7197	15345	6412	4989	21315	6933	5689	6053	4883	0	0	6336	3420	7418	19214	22548	11161	7680	6880	1341	6054	8668	0	8038	3540	Lipid	0.24242423	1.4545455	0.0
28	C33 H48 O8	573.3422	573.34296	-0.013332102	573.34216	12906	10458	15691	12155	11052	5510	20609	15090	12865	6936	11548	16876	10806	6656	11487	16683	13632	5784	17747	12344	10326	6637	9218	9309	16897	19613	19641	15456	27935	43728	20463	19039	24231	12458	11109	25703	21628	11073	12994	8702	5544	8117	0	0	0	7210	4497	0	24543	17835	13083	9576	9520	0	23875	19549	7455	20419	12364	6888	14550	7970	11456	14755	9787	12659	12077	12636	14684	13326	11090	7888	11665	16346	11152	17875	0	8756	17895	12271	7825	7005	16053	12366	25790	12209	25777	6331	10499	13483	12968	13937	14524	11734	4338	0	12715	15509	9412	37135	37845	28622	19680	27996	9126	15898	14583	0	13074	7893	Lipid	0.24242423	1.4545455	0.0
24	C33 H48 O8	573.3422	573.34296	-6.70516E-4	573.3422	27551	23609	21676	28105	17700	10846	32578	22121	24803	11891	18438	17384	21320	18266	20979	37582	38712	11032	34881	20021	19928	13058	20122	23183	25018	26311	30097	20072	27765	31096	24864	30731	36303	15020	21532	31795	32966	23876	42316	19227	15739	13834	0	0	0	7772	12306	0	28427	21142	24668	23064	17277	0	39297	33264	18282	34919	18178	16164	34576	10123	19512	25425	21953	18802	20975	53704	19764	18565	23694	12830	17604	27795	33029	24035	0	18073	33761	16758	20745	12345	25220	20516	32262	26662	38768	13651	20013	40261	26620	31402	27996	11880	14408	0	23468	23822	17114	51810	49754	42031	16568	26454	11838	23456	24962	0	25254	15825	Lipid	0.24242423	1.4545455	0.0
6	C34 H52 O5 S1	573.36084	573.3612	-0.18951368	573.3607	0	0	0	0	0	1424	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3493	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9519	0	0	0	0	0	0	0	0	0	0	45514	2743	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14705883	1.5294118	0.0
10	C34 H52 O5 S1	573.36084	573.36163	-0.129456	573.3607	0	0	0	0	0	1051	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17843	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	997	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20941	0	0	0	0	0	0	0	0	0	0	59669	12158	0	1017	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14705883	1.5294118	0.0
26	C34 H52 O7	573.3786	573.3791	-0.006947208	573.3786	4453	3980	5059	3995	1899	0	8708	0	2804	0	0	0	0	4702	0	0	10581	0	0	0	0	0	0	0	9091	0	10985	3512	0	0	0	0	5894	0	0	0	4710	6064	12576	0	0	0	0	0	0	0	0	0	4402	0	3558	3394	0	0	6671	7241	5198	5709	3396	3766	4393	0	0	2897	2677	1353	2639	17946	0	0	0	0	3561	0	0	3165	0	0	10255	0	3745	0	5486	0	6400	0	15801	0	2387	58660	4739	6202	11280	3126	0	0	4053	6264	2550	11670	10632	7188	0	0	0	3164	0	0	7253	0	Lipid	0.20588236	1.5294118	0.0
26	C31 H56 O9	573.3997	573.4003	0.31147847	573.3999	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4069	20605	0	0	0	9524	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2823	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16381	0	0	0	3677	0	0	0	0	Lipid	0.29032257	1.8064516	0.0
18	C22 H23 O15 N1 S1	574.0861	574.08704	0.07787587	574.0862	0	4036	5458	4060	10766	4480	0	0	15002	0	0	1790	26030	0	0	0	1361	15136	16074	3692	0	27544	2528	0	0	0	0	0	0	0	0	0	0	0	6424	0	3940	0	0	0	3758	0	0	0	0	5300	20336	0	0	0	0	0	6992	0	19096	19868	4068	0	0	0	0	2924	28664	15786	3148	0	0	0	1292	0	0	0	0	0	0	0	0	0	4540	13078	2250	9810	0	0	15040	4968	5142	3808	0	6572	0	0	0	30264	24090	0	0	0	6938	18922	15176	0	0	0	16548	0	11014	0	0	22139	Organosulfur	0.6818182	1.0454545	0.045454547
20	C26 H23 O14 N1	574.11914	574.12	0.1640796	574.1192	12510	12131	8465	9253	15398	8531	0	2336	17853	20181	10504	2121	43770	8514	5621	4156	0	19763	20733	16861	26345	35929	6013	0	1835	5235	2070	4273	2579	0	1500	0	2717	0	38418	1435	4754	1817	2436	12440	9064	4175	0	0	0	28300	38179	0	0	1719	8908	8501	9858	0	22559	20976	9432	3140	2189	2126	2197	10352	34613	17538	5668	16459	5502	2000	5823	6622	2978	0	0	0	1482	0	0	1687	8025	23069	6200	24919	2701	11379	25132	12135	4251	4615	4644	2080	4810	4559	6469	39294	42036	0	11186	11104	15760	15968	24131	2969	2257	2238	27411	2158	20746	0	1650	30688	Phytochemical	0.53846157	0.88461536	0.038461536
22	C26 H23 O14 N1	574.11914	574.12006	0.15517138	574.1192	8950	8588	9229	9436	11313	7075	2203	1396	16434	17975	7775	2354	30007	0	3759	2527	0	29936	19433	12810	16836	29372	5422	2406	2484	3333	0	2787	0	0	0	0	1505	0	17313	0	1847	2434	1237	7241	5214	2267	0	0	0	21887	25974	0	0	0	6644	8334	10641	0	20893	13623	6090	0	2099	1205	1260	7750	35994	10517	5309	17884	3732	0	4109	2781	3817	1220	0	0	0	0	403	1151	5012	13375	4716	15072	2451	3777	18721	8612	3815	1752	4882	0	3762	4597	3123	30922	32157	0	4673	9105	8577	14494	11560	2119	0	2541	20609	2733	11230	0	2710	17770	Phytochemical	0.53846157	0.88461536	0.038461536
26	C26 H23 O14 N1	574.11914	574.12006	0.16117467	574.1192	4446	3639	4851	2453	7188	4037	0	0	7776	12141	2714	0	19033	2994	0	0	0	15708	8985	7529	12147	12881	0	0	0	0	0	0	0	0	0	0	0	0	10425	0	2211	0	0	5978	4886	0	0	0	0	8844	18654	0	0	0	4947	3856	4231	0	9477	8206	3257	0	0	0	0	0	17198	10940	0	9411	2380	0	0	2092	3775	0	0	0	0	0	0	0	5180	9116	2631	11634	0	2355	5670	6627	3593	0	2393	1816	2460	0	0	12347	24143	0	5215	5534	4784	4006	8220	0	0	0	7530	1664	4146	0	0	16410	Phytochemical	0.53846157	0.88461536	0.038461536
16	C26 H23 O14 N1	574.11914	574.12006	0.13602439	574.1192	6405	7796	4745	4521	11971	5729	1215	0	17196	22419	6237	976	23102	4511	0	2721	0	20351	15991	14619	22335	38933	5088	1673	0	0	1939	2479	1531	0	0	0	2159	1441	34017	0	0	1652	0	10833	10707	4044	355	0	0	14470	27797	0	0	0	5633	9256	7944	0	23626	15733	4880	2471	0	0	0	9439	35373	14139	4284	17482	3420	1443	2354	4351	4828	0	0	0	0	1611	0	0	4741	16906	2991	17586	1304	5857	16443	9845	6743	4498	3102	0	3825	4547	0	36229	43985	0	7300	10234	9771	18799	17721	1904	1402	0	22182	0	15732	0	1776	26100	Phytochemical	0.53846157	0.88461536	0.038461536
24	C26 H23 O14 N1	574.11914	574.12	0.15962173	574.1192	3540	4707	4651	6030	9347	6482	0	0	9468	17104	2714	1544	20935	3858	2003	0	0	18228	7424	8770	11980	19823	2402	2642	0	1859	0	1572	1465	0	0	0	1289	0	15733	0	1503	1911	1175	5525	3923	1464	0	0	0	14355	16419	0	0	0	4272	5442	6466	0	15576	10949	2114	1540	1606	0	0	5852	21153	9930	4717	13935	1486	0	0	3344	3228	0	0	0	0	0	0	1147	5184	12635	3744	16413	1140	1973	9271	5622	3370	2070	2956	0	0	3630	3873	21903	29360	0	7008	5419	9598	7103	6785	2037	0	1410	13652	1771	6534	0	0	17615	Phytochemical	0.53846157	0.88461536	0.038461536
18	C26 H23 O14 N1	574.11914	574.12006	0.13831337	574.1192	14491	11662	7162	11460	19337	6422	2680	0	17570	32026	9841	1471	42884	3301	1788	2354	0	19428	17046	15319	29531	50705	6855	2173	0	3686	2500	2162	0	1582	0	0	4614	0	41470	0	3457	2698	0	13319	13909	3787	312	0	0	31800	34586	0	2419	0	12610	7524	9431	0	28734	21953	5548	2103	0	1541	4059	9486	38463	21456	8360	19020	5878	0	5183	3506	4888	1405	0	0	0	0	0	3123	10193	23403	5336	17295	1942	8877	25834	7413	8645	4991	4657	0	4356	5618	5450	40636	50168	0	12719	12590	13619	16636	20585	4645	2416	3048	27923	3450	15641	0	2274	33471	Phytochemical	0.53846157	0.88461536	0.038461536
14	C26 H23 O14 N1	574.11914	574.12024	0.22394499	574.11926	7678	10200	10346	11702	21740	9374	0	0	32004	51892	22208	0	53392	3772	5368	0	0	19268	19460	22018	49302	56624	8034	8054	0	0	0	0	0	0	0	0	3434	2632	71976	0	0	3990	3210	17650	43612	7240	0	0	0	31506	63300	0	0	0	8502	8132	10864	0	29224	33270	9252	0	0	0	0	23124	63021	16106	7008	34200	9274	2798	0	4208	16172	0	0	0	0	0	0	1898	8470	0	11524	24972	2882	11132	27698	7344	10928	4918	4626	8068	0	0	0	54998	45354	0	11902	11794	13720	34994	29654	0	0	0	0	0	17786	0	2314	49768	Phytochemical	0.53846157	0.88461536	0.038461536
18	C22 H27 O13 N3 S1	574.1337	574.1347	0.011031318	574.1337	10155	10016	13104	0	19503	7368	0	0	23039	30837	12949	964	36396	7929	0	1680	0	23217	15615	14190	18519	34545	0	0	5106	12461	0	0	0	0	0	0	0	0	36590	0	6801	4218	1655	7800	7669	1175	0	0	0	6741	34854	0	4707	1558	12000	12011	12778	0	15186	15077	4842	3570	0	1416	0	8515	26658	15473	1741	21856	4716	1875	8439	11121	9558	0	0	0	0	0	0	0	17410	20582	5796	20922	0	1568	19387	0	6998	4704	0	0	0	2116	0	29330	35656	0	9138	5571	18747	21122	20190	0	0	1628	18720	5625	12108	0	4632	33114	Peptide	0.59090906	1.2272727	0.13636364
14	C23 H27 O16 N1	574.14026	574.1413	0.20699406	574.1404	12153	14661	7417	16546	28005	14616	0	8911	30783	11497	8392	7621	58147	8910	11242	5970	8151	35477	39119	6397	18745	29192	18703	9728	2961	0	3865	0	4781	7020	3902	0	7928	5966	13946	5506	7390	7285	5240	7565	13298	14116	0	0	0	46439	126385	0	2909	7233	14307	15967	15417	0	44840	30692	11240	7167	7245	6551	0	13273	42869	29899	10633	25388	13345	5815	0	2039	2852	3276	4943	3293	5165	3608	0	6878	9517	29150	10104	44430	2133	2550	38263	14775	6396	10943	10065	5503	0	3414	11928	52047	29584	0	11081	15614	24029	23581	33495	10000	6171	4406	137657	6843	31780	0	3575	33989	Phytochemical	0.6956522	1.173913	0.04347826
10	C23 H27 O16 N1	574.14026	574.14136	0.2631276	574.1404	3148	4163	3151	3700	5337	3071	1249	0	9736	2597	2539	1751	16219	1440	2060	2675	2052	8990	9324	0	5508	10987	2910	2146	0	0	967	0	1413	0	0	0	3157	1634	5375	1204	2172	2114	2421	2110	4946	3788	0	0	0	9702	29526	0	1099	1663	4048	2843	4061	0	11445	13041	4120	2884	0	2658	0	1496	12030	9057	4928	9325	3251	3424	0	0	0	1343	0	0	3474	979	0	1170	4610	7606	2714	5299	0	0	12809	3457	3763	2624	2415	3225	0	0	4040	12772	7183	0	2441	4942	8132	11467	11832	2064	2759	0	0	1833	11187	0	0	13338	Phytochemical	0.6956522	1.173913	0.04347826
12	C23 H27 O16 N1	574.14026	574.1413	0.267938	574.14044	9402	6872	6862	7136	10779	7169	2453	4528	18743	5823	4947	4362	33563	2992	4790	5672	7706	21809	26195	8582	13599	26128	11695	7271	1671	0	0	0	2152	2237	3521	1398	3879	2628	8295	2282	2586	4899	4224	2597	9922	9080	423	0	0	26423	74693	0	2739	5263	5713	7486	9626	0	24624	23206	8520	0	0	7465	0	8762	34968	19287	8159	17117	8487	6058	0	0	4894	3339	2257	1811	5199	2452	0	2843	8793	25341	6645	22168	1233	1806	24425	13123	7523	5789	5570	7102	0	8014	4936	30110	16306	0	6220	7707	17058	17179	23413	5303	2482	3126	57642	5003	23060	0	2122	25445	Phytochemical	0.6956522	1.173913	0.04347826
26	C23 H27 O16 N1	574.14026	574.14124	0.19782852	574.1404	4263	2680	4282	2237	4998	4855	0	0	3777	0	0	0	0	0	0	0	0	0	0	0	8718	6763	0	0	0	0	0	0	0	0	0	0	1502	0	0	0	0	0	0	4771	4835	0	0	0	0	37331	67359	0	0	0	0	0	0	0	5845	0	0	0	0	0	0	8729	2115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	29234	0	0	0	0	0	0	0	0	0	0	0	5984	0	0	0	0	0	0	0	0	0	0	54278	1785	0	0	0	4564	Phytochemical	0.6956522	1.173913	0.04347826
16	C23 H27 O16 N1	574.14026	574.14124	0.1445841	574.1403	11706	19673	17608	14569	22318	17127	3131	6861	37494	13590	7397	9558	66940	7635	13432	10386	5250	42151	42863	11661	23695	36292	9392	5466	2419	2316	4738	1698	5272	5232	5567	0	5143	5438	12537	5643	7554	8164	5360	7869	18341	13005	418	0	0	66316	137193	0	5513	4058	15206	11559	18254	0	50116	33744	10848	5405	11971	5674	0	21831	40098	28989	9380	27074	12382	3171	8117	6576	6451	4242	4743	4879	8017	3188	294	6630	9996	38008	6392	75033	2351	2833	34991	14874	5214	12220	11831	0	0	6752	0	43630	30657	0	13089	25835	27671	21733	28880	8802	6441	5468	118638	0	33890	0	2114	44298	Phytochemical	0.6956522	1.173913	0.04347826
26	C27 H27 O13 N1	574.1555	574.15643	0.062475953	574.1556	3825	5106	3936	3961	6220	3864	0	0	4378	19270	3050	0	16219	0	0	0	0	7573	8530	12423	13428	10057	0	0	0	0	0	3094	0	0	0	0	0	0	20110	0	0	0	0	5652	5168	0	0	0	0	7551	13111	0	0	0	3728	2689	3580	0	7952	6296	0	0	0	0	0	4755	12021	7089	0	5749	0	0	5802	9289	6684	0	0	0	0	0	0	0	3024	0	0	7254	0	3951	7712	0	1884	0	0	0	0	3883	0	7954	16562	0	4633	0	2547	3621	0	0	0	0	7089	0	4353	0	0	10506	Phytochemical	0.4814815	1.0	0.037037037
24	C27 H27 O13 N1	574.1555	574.1563	0.17294343	574.15564	6051	7894	5349	6047	7615	6054	0	0	9231	27697	5363	0	21810	3361	2791	1942	0	12127	15542	14416	15848	18058	4572	2120	0	4065	0	3469	0	0	1062	0	1766	0	39146	0	2092	2417	0	14983	5398	1443	0	0	0	19777	22117	0	1289	1593	4855	5672	6800	0	10876	10464	3207	1791	3504	900	1122	7183	18721	10964	3222	13052	3429	0	7471	10246	6470	1802	0	0	0	0	0	990	7598	12014	2721	14669	2192	6515	15175	6429	5438	1970	1661	1917	3518	3312	3070	17381	28596	0	5999	6741	9906	6575	9192	3472	977	2367	14081	1703	9462	0	0	14785	Phytochemical	0.4814815	1.0	0.037037037
10	C26 H27 O12 N3	574.16675	574.1678	0.20607123	574.1669	26187	39108	19935	22845	21546	13359	9966	12762	24729	58545	26547	10755	42075	0	6003	6774	13425	28293	26732	34602	53046	52779	15465	19872	6720	5715	10035	0	9591	12270	9978	5418	10239	11460	79317	7197	11925	11457	10611	35028	47565	4644	0	0	0	34458	66525	0	6861	17235	24891	22389	11745	0	34809	24951	12999	14685	0	0	0	32715	43908	28710	3840	40335	9768	11391	0	16137	30276	13005	7743	5208	9462	13890	0	10503	22095	0	16503	41118	9564	17970	29859	17208	23278	15003	6768	25176	0	10851	33669	37737	41337	0	14946	16191	13881	34623	36021	15933	4908	11346	0	17655	18672	0	11079	49563	Phytochemical	0.46153846	1.0384616	0.115384616
8	C26 H27 O12 N3	574.16675	574.1678	0.11753524	574.1668	11811	5013	7485	10001	9329	4072	5010	5481	14392	15531	7740	6215	22600	0	5688	9853	7005	11112	12513	6801	21688	20339	7318	7995	4544	2047	5404	0	1996	3594	4418	9232	10342	7681	19995	8415	12123	5781	9933	13829	19234	6426	0	0	0	25534	37229	0	7047	9678	8229	10139	7088	0	14043	9414	4080	6875	0	9751	0	8422	22792	15038	0	16455	5926	9028	0	4698	2111	10030	5237	5204	6911	1664	0	6872	11063	0	6365	13588	4607	6039	13247	0	9409	7325	7130	12394	0	0	17307	17336	4255	0	6728	15751	7330	14415	14325	8007	4993	10559	0	7859	14242	0	7494	17942	Phytochemical	0.46153846	1.0384616	0.115384616
12	C24 H31 O15 N1	574.17664	574.1777	0.24688803	574.17676	16097	16537	17163	11778	15566	8413	10730	25708	21503	19715	14198	12888	30342	6632	20967	15680	16324	33791	32049	30760	36748	42857	21289	19047	8308	3988	6642	0	17404	12096	12660	12973	17736	12386	32408	15888	11649	14149	15570	17608	27623	14029	0	0	0	72401	121773	0	12185	15608	17969	18674	12176	0	34026	20945	9338	13386	14747	14689	20883	14259	30340	21504	11313	18451	12987	17633	0	7907	11485	10957	11048	14507	10769	13639	0	15544	16389	28939	17263	46024	7303	10628	25944	10859	12266	7930	10312	11886	7206	12765	23863	39366	31362	0	17974	35308	22365	13344	21636	25639	9679	19085	86721	16798	19096	0	11201	22001	Phytochemical	0.625	1.2916666	0.041666668
12	C28 H31 O12 N1	574.1919	574.1929	0.2164401	574.192	6174	6298	6717	7499	5409	2853	3579	7946	6104	22039	17501	1311	6743	2760	2424	3619	4385	4748	4811	19760	16974	8536	4840	5242	4419	8547	0	0	4299	4537	1977	3660	3005	3455	45072	3728	3893	2739	4724	17481	15693	3094	0	0	0	11798	17823	0	3947	4498	8795	6790	4020	0	8691	4550	3755	5008	0	0	0	12352	10371	6354	2058	6162	2777	0	0	13659	13709	2348	2162	3118	2767	3446	0	3010	6663	0	3099	6639	3066	10617	3313	2744	4535	2454	2780	7834	5540	7043	6583	7874	11424	0	7309	3484	4681	3756	3666	5694	2870	5471	0	3558	3255	0	2921	10537	Phytochemical	0.42857143	1.1071428	0.035714287
14	C28 H31 O12 N1	574.1919	574.1929	0.185805	574.192	14378	12919	15347	16979	6996	5395	4397	6692	12206	49061	25172	7966	14476	7235	7385	6986	6529	8804	12125	38291	37136	25430	6563	11948	6821	20223	5020	11835	8351	8393	8730	11334	9086	6416	63916	5048	9161	5523	7599	24121	27484	3519	0	0	0	21416	26134	0	8355	7132	11574	11119	8243	0	10172	10249	3506	8371	12087	0	0	17480	15758	11187	3442	15168	6919	5882	22632	28455	23625	5102	7158	6627	6835	5542	0	4203	8060	0	10771	13274	5548	17997	9225	5045	9462	6544	6806	19432	11042	14540	14660	20965	25963	0	13292	12507	8485	5578	9352	9402	5147	14859	0	7893	7892	0	8150	13421	Phytochemical	0.42857143	1.1071428	0.035714287
26	C28 H31 O12 N1	574.1919	574.1929	0.05917983	574.19196	4210	4203	5010	5252	7204	4411	0	0	7757	20324	7530	0	11804	2938	0	0	0	10897	7604	10631	14866	10816	0	0	0	7731	0	0	0	0	0	0	0	0	19254	0	0	0	0	9362	7519	0	0	0	0	10216	14743	0	0	0	4816	4995	4685	0	7450	7601	0	0	0	0	0	3786	13405	5897	0	9615	2679	0	9095	19907	15175	0	0	0	0	0	0	0	3339	5954	0	7810	0	5231	6516	0	0	2668	0	0	0	2898	0	9707	16754	0	3845	5468	4599	3893	7224	0	0	0	0	0	6679	0	0	11616	Phytochemical	0.42857143	1.1071428	0.035714287
20	C28 H31 O12 N1	574.1919	574.1927	0.009638177	574.1919	143398	130897	81091	89276	75880	69569	50015	86267	116318	285116	136293	40998	141322	36859	99691	39396	38682	89559	125119	173072	220399	110620	63307	64844	66672	143691	37256	95209	57442	64972	52655	56765	112394	60546	357889	43770	62511	34692	38546	172324	107703	53151	2438	0	0	219574	122720	0	32523	56392	53273	99047	62403	0	142629	103450	36721	39591	61098	33368	97186	109622	112003	98732	28350	98233	52028	32587	93833	192635	198011	37325	32855	46246	37189	50670	0	52967	90559	70410	55607	111564	29831	109856	89653	91635	51067	55866	52800	51308	83096	89943	201975	90251	121927	0	81649	111280	63877	57746	74227	62115	37865	75173	119008	43404	70261	0	61747	119266	Phytochemical	0.42857143	1.1071428	0.035714287
22	C28 H31 O12 N1	574.1919	574.1927	0.06310569	574.19196	114049	175200	144477	145970	149867	116651	41566	64142	218671	641261	224589	39037	296100	101129	118552	26391	34498	282042	185629	423480	334437	280804	92257	62261	83325	289369	40426	231767	44510	11056	55059	8054	135590	62337	788491	60615	89361	63781	27199	215752	186559	77155	0	0	0	286973	179983	0	106019	20283	154248	196951	104869	0	202695	172719	58228	67213	107728	9861	82471	183042	308436	169486	61792	194340	87857	56162	282933	519314	376087	73985	60379	46498	48270	41412	0	34739	121166	107428	99826	162322	7270	169998	221324	124854	102057	53044	67187	66523	80603	22959	132138	170456	231079	0	140862	122852	186609	193669	137911	68199	68411	67056	216489	71501	166146	0	24433	300794	Phytochemical	0.42857143	1.1071428	0.035714287
24	C28 H31 O12 N1	574.1919	574.1926	0.0506714	574.19196	9866	7330	9994	8770	10190	6897	2214	3262	16432	43274	13829	1020	18966	6213	6055	5386	0	16555	11034	33477	28617	11964	5599	5686	0	13477	0	9679	4160	0	2435	1902	3967	1774	45301	0	7254	2385	3788	20636	16615	3112	0	0	0	22178	20260	0	2098	2204	9413	8882	7772	0	17302	11966	4017	4304	4183	2245	4220	9697	19801	10765	2184	15416	6287	2714	17560	29435	28875	3175	2128	0	0	2984	0	2412	7288	11570	4940	11561	2793	13945	14987	7623	6225	3476	4812	4194	7007	7977	7177	13806	23735	0	10626	5282	11099	9576	10413	3023	1648	5497	16661	1608	10260	0	4104	19006	Phytochemical	0.42857143	1.1071428	0.035714287
10	C27 H31 O11 N3	574.2031	574.20416	0.21349868	574.20325	165864	42178	137100	160150	66472	82610	64128	87800	73752	316708	101310	65780	87266	53654	39170	87262	82260	64832	75630	262840	296070	170540	97578	102644	75754	198420	97476	179824	110182	136348	75566	114292	164594	146420	342226	133336	119656	72110	102936	244152	211620	84128	0	0	0	121664	122424	0	95848	78018	57100	157452	49248	0	116784	48428	45006	162542	23134	62504	22786	120012	109818	64956	12174	104486	76524	123934	162000	198872	201442	147854	76302	38653	81504	78572	0	95614	97300	25398	65988	66118	67832	115110	52090	32936	118278	88096	74238	178506	306564	200834	187034	79136	234000	0	158964	123126	13166	58520	52838	95402	42338	30214	0	132614	43536	0	82630	110334	Phytochemical	0.4074074	1.1481482	0.11111111
8	C27 H31 O11 N3	574.2031	574.2042	0.1576504	574.20325	17434	17762	16058	17770	9778	9450	14056	20708	13266	20296	13534	12124	16180	2364	14337	20664	15524	9154	14582	19144	23670	27554	15698	17896	9282	4840	7850	3236	6538	13288	17690	15612	17646	12756	28138	14912	16088	9372	17038	29760	18792	5148	0	0	0	18108	20926	0	21502	7472	16818	17744	10380	0	17262	10818	5700	18460	10106	12182	14954	5654	14958	12860	0	12114	9226	14892	0	10700	5798	20438	11990	14066	8752	12014	0	10360	17114	6110	10716	9528	8868	13880	5812	0	17216	7646	7704	23726	0	0	34010	13998	9392	0	14750	13650	7296	13872	10528	16616	11974	27684	0	14176	5460	0	14314	12686	Phytochemical	0.4074074	1.1481482	0.11111111
20	C25 H35 O14 N1	574.213	574.21387	0.056506827	574.2131	47375	37920	40869	39432	37351	34757	24054	56630	56683	72323	21923	19192	82714	14874	52838	28103	15843	79221	68169	90438	78388	66794	41882	45980	45167	15511	17293	11254	49297	33113	41831	40052	46479	34621	84494	40770	49435	26934	7635	63661	15496	28895	756	0	0	185162	90208	0	39767	37217	36727	42351	30453	0	97259	35273	18545	31457	52718	10407	32999	41969	65326	55154	16453	41554	26325	15078	17203	46018	14488	45326	42741	46847	15565	30314	0	37100	29963	33467	28687	91789	27566	27630	29843	28586	16346	14540	23577	12094	32412	37770	46438	27871	56680	0	42526	48674	32315	17834	19558	39491	24550	47491	118275	38280	36041	0	23690	55765	Lipid	0.56	1.4	0.04
16	C29 H35 O11 N1	574.2283	574.2292	0.06078781	574.22833	23348	19096	23786	19607	14084	13386	10086	14714	13956	59778	27260	10933	18072	7425	16084	23200	19610	12902	22616	53741	50264	32392	16592	25242	12315	36080	11076	23344	18609	16424	14779	20775	23015	13786	52217	17785	20351	11037	14043	38819	30708	8243	0	0	0	21901	20130	0	21927	16731	21104	20007	10595	0	20837	12565	6724	20647	12808	11810	22050	20847	12665	14490	7815	16779	11869	19862	25480	37521	35137	15142	14985	14788	14256	16210	0	6956	17221	12388	14430	14509	13378	28388	13061	7640	18296	13916	13599	28715	23713	14655	0	16564	27843	0	18907	22622	11212	14193	9999	20898	8177	14444	19948	17706	11148	0	13602	15435	Phytochemical	0.37931034	1.2068965	0.03448276
20	C29 H35 O11 N1	574.2283	574.2291	0.048107915	574.22833	178328	179839	154938	145734	148613	108976	86739	143506	178110	432191	221236	73921	166789	83784	156698	131092	97573	132523	195570	368166	361109	186970	132755	158172	148501	373351	77721	215567	138509	117729	114528	147135	166291	106981	459513	141543	181728	106071	88867	267528	202624	87958	3672	0	0	199334	142394	0	127000	126038	160734	162971	110736	0	187153	160221	79408	149282	139215	79030	133583	176489	210550	177731	65443	151308	97486	85777	277428	443327	345426	149631	135424	113276	95741	87306	0	102420	170831	95495	129816	103713	97366	238234	157509	79643	151205	90622	80115	98319	158258	165121	236969	132723	182162	0	161516	170819	137226	143365	123687	160952	96616	140615	127379	147965	126529	0	123344	170702	Phytochemical	0.37931034	1.2068965	0.03448276
26	C29 H35 O11 N1	574.2283	574.22906	-0.03003826	574.2283	8963	7238	8920	5302	11084	6269	0	0	12649	25499	7800	3851	11924	3806	0	0	0	7650	8258	20209	22547	8376	0	5912	0	23376	0	7853	0	0	3259	0	4294	4021	25759	0	3922	0	3898	11839	9566	0	0	0	0	9410	10438	0	0	0	7230	5901	6033	0	11080	7553	4162	4469	0	0	4628	11775	13616	7978	3933	9122	4772	0	15893	34610	27339	3650	3562	0	0	0	0	4019	6746	0	6249	7074	4058	8747	9269	0	6779	0	0	0	4602	4369	6244	6061	12261	0	7758	9692	8566	6909	6428	0	0	0	0	3544	7706	0	4658	12016	Phytochemical	0.37931034	1.2068965	0.03448276
24	C29 H35 O11 N1	574.2283	574.22906	0.015795456	574.2283	22163	15235	25254	15667	26194	18043	4931	10495	24012	51618	27326	7822	27347	13649	5899	10923	5915	29453	22931	46177	52232	20101	13354	16144	10438	46130	4342	32163	5550	6336	9879	8494	14320	11496	67548	7326	11148	6859	5242	37206	20377	7136	0	0	0	24660	23602	0	10593	6020	16531	17248	15055	0	20972	20172	8517	10703	11417	5363	12391	26501	28938	17786	5158	25671	14452	8851	40501	70279	60139	12271	9023	5223	5475	6020	0	8804	19221	11639	12009	16003	5508	21760	21867	7908	10179	6462	12301	8567	14081	14044	21035	15430	32143	0	19690	19388	13189	15369	18976	9986	7129	13672	18543	10103	16694	0	9771	32488	Phytochemical	0.37931034	1.2068965	0.03448276
14	C29 H35 O11 N1	574.2283	574.22925	0.18212827	574.2284	8593	13098	10607	11679	6392	4276	6986	15738	7820	24468	12036	6085	6321	4299	6612	11805	10774	8178	8631	30878	29820	16637	7616	11865	7383	17567	5386	12688	4960	7631	6679	9591	11646	7034	30181	7399	12724	4376	9311	15582	15879	4295	0	0	0	12903	15028	0	12217	8695	14478	8699	5380	0	9438	7237	3398	11040	9467	6934	0	10882	6572	7866	3667	6357	6170	9657	13776	23492	17473	6176	7706	7358	7893	8882	0	8217	8522	0	7716	6019	5953	12314	5721	6569	8653	4790	6225	15342	6768	10058	14690	10074	17553	0	8621	13544	3833	4864	5003	10603	6873	10947	0	8711	6621	0	8420	6132	Phytochemical	0.37931034	1.2068965	0.03448276
18	C29 H35 O11 N1	574.2283	574.2291	0.05010951	574.22833	153146	137099	151786	162480	93986	126786	94309	203411	88831	198151	143921	77878	79131	59265	186331	120060	82588	177734	105944	235873	205503	117127	115014	191816	169848	185118	86951	124958	224688	175375	161904	127880	219291	81648	263148	77312	158448	105848	110331	190722	147522	110237	0	0	0	153519	111284	0	201932	128663	189119	136348	86624	0	170298	79871	76680	151283	118474	63671	152756	92397	123574	84040	50448	146515	74871	109836	154301	191279	246363	117348	122914	81112	100287	91138	0	90676	149706	74267	135571	93431	122036	156696	101391	48640	152469	82518	79635	139289	106218	167763	247893	101334	120867	0	146944	149763	80123	87391	90326	212245	139012	201378	105101	208766	59244	0	154116	98263	Phytochemical	0.37931034	1.2068965	0.03448276
8	C23 H35 O12 N5	574.2355	574.2359	0.42711887	574.2357	0	1589	2274	0	0	675	0	0	0	0	0	661	0	0	1175	1406	952	0	0	0	0	0	787	0	0	0	0	3064	1171	0	0	0	0	1175	0	1660	1081	1199	797	0	0	0	0	0	0	0	0	0	0	0	1391	0	0	0	1843	0	0	1301	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1071	797	0	0	781	915	0	0	0	0	0	0	0	0	0	0	2029	30488	8154	1267	0	0	0	1375	0	0	0	0	1339	0	0	0	1086	0	0	0	0	Peptide	0.5217391	1.5217391	0.2173913
6	C31 H36 O8 N1 Na1	574.24115	574.2413	-0.5645767	574.2408	2291	3489	3366	2432	686	1103	781	6471	472	0	0	1716	753	852	1557	13804	0	0	1913	1988	2863	3412	3901	30923	5734	0	1257	0	3885	7758	3513	3924	3913	1849	2513	2016	2669	1799	2696	2669	1617	0	0	0	0	2125	0	0	2607	4689	3700	3076	1995	0	1173	0	0	6385	1129	815	11609	0	0	0	583	1231	3027	0	0	1939	0	2710	1324	1605	1611	2209	0	1860	2486	0	1320	732	1318	0	0	0	4518	1040	1636	22575	0	0	10292	1260	1285	0	3074	2857	0	518	879	2054	927	2314	0	9073	0	0	4060	667	Phytochemical	0.2580645	1.1612903	0.032258064
20	C26 H39 O13 N1	574.2494	574.2502	-0.05808718	574.2494	53889	49389	55627	49274	29413	35057	27501	69916	59063	86263	23678	25927	94744	16855	70543	40080	14901	70232	81334	104657	68709	67861	56324	60698	82028	9427	18430	24752	77987	53061	56441	46668	64055	48236	107502	66654	73208	39088	14561	60771	12736	30563	1253	0	0	110460	26984	0	56480	54872	53356	50745	41875	0	123419	47845	20475	46124	76648	10587	49047	40497	65516	61686	23487	41217	41599	13952	12308	49925	12885	55144	50241	68976	21867	40382	0	48909	29022	15473	30071	39010	34808	30460	38863	31301	35636	18408	31896	10907	57279	63364	87918	24486	43322	0	51049	65811	36838	25125	26036	61165	32919	64801	50289	48910	29616	0	30554	94281	Lipid	0.5	1.5	0.038461536
16	C26 H39 O13 N1	574.2494	574.2503	0.033200253	574.24945	29327	29983	38534	31733	22309	19508	29076	43461	23592	37819	19950	22623	33561	6779	39515	48070	24378	32219	43187	35247	51179	31031	44040	49870	39279	17910	18642	16033	42762	52741	39857	42302	39809	31186	43257	46086	42346	28385	18169	26829	15154	20274	671	0	0	44708	27341	0	32257	42781	34944	30494	20663	0	42893	25990	15656	32775	45136	18938	39879	23063	25674	26028	12777	23158	17268	19882	10774	20408	12939	37796	45014	48089	33133	31180	0	29383	35831	15255	24711	23133	34951	24811	28153	19351	22425	15248	17828	0	27304	28035	60393	11824	23852	0	40737	36172	21993	18198	25194	47757	24209	50815	31508	36413	27151	0	25307	24471	Lipid	0.5	1.5	0.038461536
18	C26 H39 O13 N1	574.2494	574.25024	0.00197012	574.2494	59651	44255	62723	53788	29006	41579	35239	95042	45286	90669	29957	31791	64913	19796	73737	52548	27139	65488	73491	90881	81617	50456	68026	74017	75711	25429	27024	22357	85835	65846	59978	49950	63129	61731	105731	82047	66753	52106	25499	49453	17420	33093	1064	0	0	96017	29477	0	54419	63637	58661	43473	29928	222	102952	50386	20667	50694	78861	16495	65215	42051	63470	52621	24031	40850	32747	17926	15462	37083	16340	65080	54885	75102	30135	52120	0	52464	43875	20416	44897	45046	43238	30616	42809	41457	34013	29092	35800	25249	52428	66337	89011	20775	40345	0	53537	62739	34869	27285	30933	71679	36488	68422	49932	48001	31837	0	37011	51825	Lipid	0.5	1.5	0.038461536
26	C30 H39 O10 N1	574.26465	574.26544	0.004619596	574.26465	16837	13411	14247	11115	16827	11299	3791	13084	15809	30651	19186	0	19645	11073	8061	8814	0	23200	23210	29979	34847	14042	7775	9548	6416	47102	4618	19890	9483	7124	9467	10843	13807	11130	38426	12635	9851	6028	4596	25281	17248	6379	0	0	0	13796	15385	0	7899	7728	15050	13412	9332	0	16497	18630	4680	10159	7176	5895	10300	17531	17561	14206	5272	13765	8931	6334	35572	53083	55814	13063	8778	0	0	9246	0	6450	13287	7414	7879	8816	6681	16521	20203	8574	12268	8848	8781	8825	10592	13098	19311	10734	14384	0	13061	16248	8634	18998	12375	10297	5021	14725	8337	11088	10436	0	8102	18670	Phytochemical	0.33333334	1.3	0.03333333
18	C30 H39 O10 N1	574.26465	574.2655	0.033813775	574.2647	28654	23565	17383	19700	12151	13861	19421	33055	15985	27951	20110	13719	14657	6669	19173	32858	27228	14149	18258	39959	40333	24476	20174	33328	18073	32625	12277	19148	33627	24257	21068	15681	28449	20644	30971	27234	27258	14341	23527	27733	27923	15561	0	0	0	22861	19191	0	26794	21516	29153	24172	9146	0	16390	17081	9785	29469	12818	18317	32455	17133	15462	15260	9650	13110	9608	27515	32752	38081	36155	17538	20594	23941	24681	22928	0	12552	25204	13529	16975	12482	19299	20989	11861	10968	25610	16049	12181	32353	29080	31507	45712	15859	24637	0	21553	21034	11203	11749	8976	31918	15292	29776	10147	22899	11237	0	22589	17313	Phytochemical	0.33333334	1.3	0.03333333
24	C30 H39 O10 N1	574.26465	574.26544	0.08979059	574.2647	193566	199402	188344	193992	171892	125869	267898	215763	182487	330950	402820	754212	254660	113277	120222	215260	113796	225745	246119	439642	372129	179282	140243	173583	127958	416123	1397239	219654	266850	695898	282287	201863	181150	199226	443429	241853	228356	95980	122988	303573	178592	97358	0	0	0	211379	101210	0	362728	270849	198334	200882	142283	0	261783	171115	100828	187680	116532	64982	209429	177804	212733	165907	117600	185672	120346	115198	549176	903674	753228	239947	190656	183232	221930	305152	0	224876	161223	72166	127144	96777	86291	191244	192957	112067	139883	95190	133035	121318	168789	154335	232491	107210	165501	0	218682	199219	134069	160759	160550	231518	544671	204157	100292	137097	130805	0	105250	215617	Phytochemical	0.33333334	1.3	0.03333333
28	C30 H39 O10 N1	574.26465	574.2653	0.03101771	574.2647	3793	3502	3775	2198	4148	1091	1726	2575	3680	7514	3508	1436	6748	3400	0	3184	0	5350	4412	7433	8785	2483	0	0	0	17708	1488	6445	0	0	2685	3199	3357	3235	8549	0	2195	0	3595	4853	5790	0	0	0	0	0	3817	0	2914	0	3684	2953	2298	0	3222	2484	1603	2636	1746	0	3893	3021	4563	0	1688	4674	2188	2634	12627	18204	21940	2423	0	0	2245	0	0	1528	3109	0	2318	1411	2184	3961	5545	2426	3603	2577	1296	1897	2877	3283	4712	2271	2833	0	3652	3169	3015	6144	6064	3729	2217	0	0	2020	2508	0	0	5085	Phytochemical	0.33333334	1.3	0.03333333
22	C30 H39 O10 N1	574.26465	574.26544	-0.004333856	574.26465	54119	51453	44483	50532	46735	35944	21210	49168	44796	86940	65940	29513	56934	32629	39623	48511	27113	57628	67555	131183	110232	50150	45735	66933	44509	238532	24254	62421	52697	41044	46511	55364	46906	46261	197826	47532	63973	32688	29746	71628	55994	37373	0	0	0	59075	46835	0	50198	47767	46583	46092	40991	0	57756	41094	24287	57654	40190	27143	62826	51994	42558	40474	23377	47709	41679	34150	88494	316810	126134	49536	42744	34206	25016	38916	0	36969	43316	28882	32989	32048	38164	53936	52731	29770	43968	32002	42885	52653	63069	72269	76852	37859	54514	0	50551	50887	37167	37854	41301	60840	31138	56303	35945	47953	44029	0	37021	51866	Phytochemical	0.33333334	1.3	0.03333333
6	C24 H39 O11 N5	574.2719	574.2733	0.21046235	574.27203	795	1471	0	1282	0	1759	0	944	0	1390	1910	0	0	0	0	0	0	0	0	0	0	783	0	986	0	0	0	23288	0	0	819	0	913	0	0	0	1095	0	0	0	0	542	0	0	0	0	0	0	0	0	1360	865	0	0	0	0	0	894	0	0	1228	0	0	0	0	0	0	0	0	0	0	1533	0	0	0	0	0	0	0	43077	0	0	0	0	0	0	0	0	0	0	104670	34275	1077	7494	0	0	669	1707	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45833334	1.625	0.20833333
8	C24 H39 O11 N5	574.2719	574.27264	0.4412104	574.27216	2152	1552	2302	1464	0	0	0	0	0	0	0	0	0	0	0	1383	0	0	0	0	0	0	0	0	0	0	0	17547	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1291	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1018	0	0	0	0	0	0	0	30931	0	0	0	0	0	0	0	0	0	0	163093	63111	0	3675	0	0	1424	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45833334	1.625	0.20833333
18	C27 H43 O12 N1	574.2858	574.2867	0.07183992	574.2858	10080	9107	14513	10354	4072	12101	10195	21092	12626	9472	4578	8490	18659	4972	22711	13392	7040	13302	24027	14948	8383	7153	17094	12611	19852	3437	11148	4655	16205	17491	15139	17582	22403	14442	9314	22907	25601	15903	8881	8746	5473	11393	275	0	0	11215	3334	0	19649	15766	8436	14928	6996	0	27387	12536	9338	15218	19028	5013	19060	5282	11400	12693	7061	10736	9742	10824	4524	7393	3556	14975	17027	25888	11470	17744	0	12203	11132	6218	10014	4641	16401	5446	15049	12753	13008	8239	9934	7982	12956	16316	22827	2379	5344	0	16543	14121	5181	7723	8373	24945	11262	15358	4656	8624	10408	0	9983	9647	Lipid	0.44444445	1.5925926	0.037037037
24	C31 H43 O9 N1	574.3011	574.3018	-0.010977542	574.301	37899	38519	41868	32278	36255	29333	20560	39730	27750	55209	46642	20159	39656	24569	33970	42761	26735	41547	53656	84351	68764	27937	33969	43692	35894	176048	14797	42122	40498	33078	33693	38041	52463	34987	55365	39638	49162	25915	27282	56847	35350	28291	0	0	0	44606	26076	0	42187	30469	38921	38445	33695	0	39935	31619	18860	45323	34348	18279	48068	37569	33279	35594	16749	34240	27294	26227	140734	96629	70075	38492	34297	34987	21615	32741	0	25118	37660	17979	25244	21010	26851	41155	33571	23484	32932	21973	25781	30338	47849	48399	57701	28641	33330	0	36382	43332	21871	25154	34367	52015	19892	43499	24724	37271	28468	0	28936	30915	Lipid	0.29032257	1.3870968	0.032258064
26	C31 H43 O9 N1	574.3011	574.3019	-0.001938927	574.3011	18358	17131	17481	18937	19484	14093	9192	19525	20057	28701	25835	9837	23055	10514	16842	18648	12532	19548	32412	53627	36333	16307	19069	25559	21638	58839	7786	28670	25097	18789	18942	17202	24156	17242	35576	29873	23600	12497	7617	33311	19092	14542	0	0	0	21159	10904	0	22068	16222	21628	22708	15860	0	23913	21834	9225	23905	17054	11770	25907	18434	20908	19668	7938	18750	14941	11000	48981	65036	49724	22928	15527	17708	9927	16925	0	14147	17620	8694	17409	12596	13377	22211	23702	9739	21127	9487	16344	14426	23279	26189	32640	11703	18735	0	17990	18299	15449	22098	24821	37879	8771	21723	12646	15351	19025	0	14080	22095	Lipid	0.29032257	1.3870968	0.032258064
20	C31 H43 O9 N1	574.3011	574.3019	0.052921567	574.3011	13240	10183	13406	9465	5099	7632	10974	12561	8103	10036	10723	10527	8442	4619	12055	21378	21688	7303	8372	14248	15951	8355	8930	19386	15707	16200	12792	14677	14488	16692	10343	15591	20574	12714	11360	15796	14350	9735	18304	10529	15762	10097	0	0	0	8102	7797	0	13820	14294	12210	10353	5717	0	6778	6541	4724	16921	7900	11039	16825	8745	5816	7195	6461	5767	4827	21077	14560	18906	17960	12310	15749	13747	17639	14907	0	12740	15080	6819	9485	6168	8176	9198	8316	5339	17840	5830	11509	19609	23167	16108	20446	7462	8784	0	16178	12306	6243	10893	3585	17038	8918	19968	5723	17737	6312	0	11192	5457	Lipid	0.29032257	1.3870968	0.032258064
22	C31 H43 O9 N1	574.3011	574.3018	0.012724873	574.3011	30595	33941	26926	30019	21832	18233	20987	35093	19748	32484	30051	18603	20454	14046	27235	44440	31375	22846	29774	49233	52268	25987	26375	41635	28105	59290	22464	30635	41689	35254	30153	38843	36566	29962	31316	36628	46190	24157	31207	41860	31213	23576	0	0	0	24743	17842	0	37383	32708	27283	25729	25474	0	31050	22413	14647	34311	24084	23456	37886	23372	18804	21904	14933	24213	21519	30627	40417	71067	56369	29149	26863	28567	25657	33884	0	24410	34188	22210	23181	16548	24508	27567	23631	17414	28080	22456	23247	32690	37723	31996	47044	19062	27612	0	26542	27585	19368	19066	20029	41475	19580	40590	14016	31271	19642	0	30848	22108	Lipid	0.29032257	1.3870968	0.032258064
20	C24 H47 O14 N1	574.30695	574.30756	0.21296129	574.30707	46300	20510	58600	40280	19740	18270	52970	65634	27830	0	21820	36810	20210	18530	32780	72540	121710	25400	73650	44210	42430	33190	52762	32730	22410	37220	46500	112500	44382	45390	27450	63110	0	51390	28730	35260	57670	64380	96400	13950	31400	23520	841	1407	893	0	23750	1001	71580	53002	50950	29930	29210	792	34150	22720	26770	45610	22160	33380	26080	0	46940	26170	18840	28990	16118	104580	46880	42950	47390	23620	33960	36230	101946	30840	927	41100	89600	32810	43450	26510	57180	0	51780	20390	70190	19440	34630	67980	58240	43710	50820	34170	0	1144	53800	37160	13790	49590	37340	54230	39030	43330	27050	47420	40450	1469	50710	0	Lipid	0.5833333	1.9583334	0.041666668
12	C25 H43 O10 N5	574.3083	574.3092	0.2845655	574.3084	16225	9136	12007	10968	0	1720	0	0	0	3554	26133	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	187490	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11873	10131	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	223706	0	0	0	0	0	0	0	0	0	0	1244719	691992	0	48015	11697	0	10489	9720	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.72	0.2
10	C25 H43 O10 N5	574.3083	574.30914	0.1937628	574.3084	23889	20427	18299	16168	0	6934	0	0	0	4480	27590	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	179252	0	0	0	0	0	0	0	0	0	0	0	0	0	834	0	0	0	0	0	0	0	0	19659	19380	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	274423	0	0	0	0	0	0	0	0	0	0	2061573	863618	0	56719	17966	0	19517	20688	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.72	0.2
8	C25 H43 O10 N5	574.3083	574.30896	0.19698538	574.3084	10085	8040	5600	6711	5448	8420	0	0	0	0	13266	0	838	4403	1238	0	3446	0	890	0	0	0	0	0	651	0	0	104419	0	0	0	0	0	0	0	0	0	0	2725	0	0	17607	0	0	0	0	0	0	0	0	10208	4482	3677	0	4825	0	12280	0	0	0	0	0	0	25701	11437	16320	29269	4777	0	0	0	0	0	0	0	0	0	0	0	248558	0	0	0	0	2995	0	0	1774	2419	0	746787	307692	0	30337	12157	0	8304	7149	2151	0	0	0	0	0	0	0	2571	0	0	0	Peptide	0.4	1.72	0.2
6	C25 H43 O10 N5	574.3083	574.3091	0.29562375	574.3084	0	672	0	0	0	2007	0	0	0	0	0	0	0	0	0	0	1223	0	0	0	0	0	0	0	0	0	0	10767	0	0	0	0	935	0	0	0	0	0	1281	0	0	0	0	0	0	0	0	0	0	0	564	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1012	0	0	0	0	0	0	0	0	0	0	0	35900	1493	0	0	0	0	0	0	0	0	0	65453	22826	0	2716	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.72	0.2
6	C32 H47 O6 N1 S1	574.3197	574.3201	-0.16575378	574.3196	0	0	0	0	0	1124	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	15734	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9869	0	0	0	0	0	0	0	0	0	0	23826	6823	0	745	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.1875	1.46875	0.03125
24	C32 H47 O8 N1	574.33746	574.33813	-0.04616777	574.3374	14790	11193	11539	7895	6222	4866	8214	15464	5409	4850	11119	7357	6813	4928	12249	17419	16817	6204	13656	12552	12289	3940	13042	12307	11077	17152	8560	10370	13841	20023	9477	15452	19196	16105	7942	19288	18410	9301	14342	14808	9679	8689	0	0	0	7920	6698	0	15677	16512	6913	9429	8427	0	9090	7201	7561	15382	12240	9305	16557	5858	6690	9585	3862	4504	6513	14034	16893	18819	15582	11127	10516	19347	8778	16333	0	9296	13839	9956	8599	7681	11554	11783	10841	8745	14507	8840	8791	22298	15963	13792	13375	5251	5673	0	7921	13720	5389	6315	11764	18085	7559	16785	3856	13577	7233	0	14686	4896	Lipid	0.25	1.46875	0.03125
26	C32 H47 O8 N1	574.33746	574.33826	0.005438369	574.33746	12083	10260	12695	10501	10970	7416	10784	16159	8885	9868	11072	7574	6684	6911	11673	17643	15263	6296	14966	20419	15620	6726	11416	12147	16153	32773	5922	18528	18916	15778	15977	17085	20482	15669	11529	21905	17026	12430	14008	15663	9139	9581	0	0	0	10765	0	0	15416	20195	11754	10141	9907	0	16283	14300	5597	18075	12993	9074	19714	7937	8148	9254	6394	11591	12415	15522	22672	29312	25325	12838	11285	15316	11014	15133	0	9447	16105	8106	12140	6680	13210	13904	16176	11292	24632	6826	11023	15049	11504	20637	16867	8315	6078	0	12451	12989	9893	16952	24172	22002	7209	20106	0	13341	9219	0	12870	5921	Lipid	0.25	1.46875	0.03125
14	C32 H47 O8 N1	574.33746	574.3381	-0.091208674	574.3374	0	0	0	0	0	0	12275	1330	0	0	0	4921	0	0	3887	3561	0	0	0	0	0	0	0	0	0	0	26606	0	0	0	1080	0	0	0	0	0	0	1508	0	0	0	0	0	0	0	0	0	0	0	4642	0	0	0	0	0	0	614	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1813	0	0	4407	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5242	0	0	0	0	0	0	0	Lipid	0.25	1.46875	0.03125
10	C26 H47 O9 N5	574.34467	574.3456	0.3274138	574.34485	0	0	0	1140	0	5543	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16354	0	0	0	0	0	0	0	0	0	0	0	0	0	1472	0	0	0	0	0	0	0	0	1779	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91245	0	0	0	0	0	0	0	0	0	0	238299	103581	0	4490	0	0	1946	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.34615386	1.8076923	0.1923077
12	C26 H47 O9 N5	574.34467	574.3456	0.30877918	574.34485	1504	1634	1968	1418	0	3820	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	34984	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	149108	0	0	0	0	0	0	0	0	0	0	265103	140489	0	10512	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.34615386	1.8076923	0.1923077
20	C34 H48 O5 N1 Na1	574.3503	574.35126	0.40714642	574.3505	1571	1608	0	1728	0	0	0	4066	0	0	0	0	0	0	3478	0	0	0	0	0	0	0	5679	0	0	0	0	0	12883	2656	6753	3342	17842	3633	0	3368	58365	0	0	0	0	1587	0	0	0	0	0	0	4933	6242	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11021	6067	10590	0	1454	0	4160	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4749	1798	0	0	4024	0	0	0	0	Lipid	0.14705883	1.4117647	0.029411765
28	C29 H51 O10 N1	574.3586	574.3588	0.20707804	574.3587	0	0	0	0	0	0	1891	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1755	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	137264	0	0	0	0	0	0	0	0	0	0	3791	1796	0	19127	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Lipid	0.3448276	1.7586207	0.03448276
16	C30 H47 O6 N5	574.3599	574.35986	-0.14842786	574.3598	0	0	0	0	1562	0	0	0	0	0	0	0	0	0	0	0	0	8747	0	0	0	0	0	0	0	0	0	1913	0	0	0	0	0	0	0	0	0	2191	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1240	0	0	0	0	0	0	0	14675	0	0	0	0	0	0	0	0	0	0	36317	2955	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2	1.5666667	0.16666667
26	C31 H59 O8 N1	574.43134	574.432	-0.047748853	574.43134	2808	0	2651	0	0	0	0	0	0	0	0	0	0	0	0	0	76332	0	0	0	0	0	0	0	0	0	3124	0	0	0	0	0	11728	0	0	0	25107	0	83833	0	0	0	0	0	0	0	0	0	3676	0	2957	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	39484	0	0	1823	0	0	0	17032	0	0	0	0	0	0	0	0	0	0	0	1779	0	0	0	1406	0	0	0	0	0	0	0	0	0	0	7247	0	0	0	8869	0	0	0	0	Lipid	0.2580645	1.9032258	0.032258064
26	C26 H22 O15	575.10315	575.1042	0.2490053	575.1033	3405	3937	4335	3209	7030	6536	0	0	12358	8667	2879	0	18412	4222	0	0	0	9412	7834	0	6441	10581	0	0	0	0	1661	0	0	0	0	0	0	0	9638	0	0	0	0	0	3537	0	0	0	0	0	11598	0	0	0	3275	5026	3541	0	14995	10569	0	0	0	0	0	2923	20136	9993	2264	11027	2458	0	0	2850	3218	0	0	0	0	0	0	0	5666	0	5182	4819	0	0	17106	8262	0	0	0	0	0	1739	0	8050	11657	0	6820	0	5469	10140	9740	0	0	0	0	0	8030	0	0	20953	Phytochemical	0.5769231	0.84615386	0.0
18	C26 H22 O15	575.10315	575.1041	0.21687421	575.1033	13924	16247	14850	9961	30593	13875	2316	1565	38348	20024	10815	1946	68109	9416	7104	0	2076	30348	26209	16299	17102	40009	7904	2369	1989	1357	4206	3204	0	0	0	0	3872	0	30204	0	2152	6660	1969	10413	4954	5075	0	0	0	17493	32373	0	2136	0	13343	15698	16637	0	34642	28226	10551	3651	1538	1153	1915	8330	71744	27424	10303	33977	7325	0	1761	2270	4744	0	0	0	0	0	0	2507	14601	18244	13571	26336	1196	3310	43713	16278	7827	2793	8265	3509	0	2913	2763	40527	34863	0	10716	9943	29092	37496	34382	2461	0	0	18543	3082	27310	0	0	58493	Phytochemical	0.5769231	0.84615386	0.0
22	C26 H22 O15	575.10315	575.10406	0.28566217	575.10333	8290	14405	8701	7179	21192	10231	0	1260	22624	17078	5138	0	41125	6174	1435	0	0	27570	12220	4412	7914	31345	3767	1784	2210	0	2113	0	0	1036	0	0	2062	0	17410	0	2317	4184	0	5032	4365	2310	0	0	0	14222	21663	0	0	0	8768	5043	9118	0	26226	16471	6284	0	1520	1683	0	5241	45922	20709	5070	20509	3422	1356	0	3407	3542	0	0	0	0	0	0	0	10719	7456	9194	13623	1421	2462	29002	10988	6228	2380	2860	1538	2650	5390	0	26568	23539	0	5261	7967	13862	19947	21351	1493	1975	0	16785	0	20150	0	3141	32986	Phytochemical	0.5769231	0.84615386	0.0
14	C26 H22 O15	575.10315	575.10425	0.2664194	575.1033	7579	5813	10765	5326	18352	6396	0	0	19279	13907	9335	1929	30688	3216	0	0	0	11660	11056	5022	5766	21113	4361	2300	0	1240	0	0	0	0	0	0	0	0	23018	0	1620	3362	0	2912	4892	1657	0	0	0	6355	16131	0	0	0	4420	6500	8310	0	18325	18865	5723	1900	0	0	0	2768	34503	18913	4710	20134	2509	0	0	2068	4576	0	0	0	0	0	0	0	11236	0	6088	12183	0	1521	19629	9665	6154	1464	4589	0	0	3034	0	32149	13380	0	5930	7131	14279	23861	25516	0	0	0	0	0	14350	0	0	19850	Phytochemical	0.5769231	0.84615386	0.0
16	C26 H22 O15	575.10315	575.1042	0.17708296	575.1033	37917	25200	25764	33324	77124	28965	3726	0	83514	48501	31668	3138	142051	21558	13083	0	0	80352	67545	36732	31248	103765	17430	6285	0	5610	7995	12048	0	0	0	0	7101	0	96747	0	0	14754	7227	17850	25308	7823	0	0	0	43521	59511	0	6537	3282	36441	42192	36354	0	71354	87669	35352	7932	6486	0	0	15897	172332	73266	20750	97087	22644	6291	11802	5745	16995	0	0	0	0	0	0	4692	36819	63210	30737	54060	0	0	97587	40233	21921	9657	16422	0	0	9585	0	127196	90717	0	37188	27336	69309	95088	93906	8448	4470	0	58968	0	76035	0	8487	149796	Phytochemical	0.5769231	0.84615386	0.0
20	C26 H22 O15	575.10315	575.10406	0.18683846	575.1033	13695	14274	13817	14585	28063	12144	2187	0	29894	25954	9473	2347	63945	10959	3208	0	1321	30731	24610	8463	10923	28049	8052	0	0	2307	1396	2722	0	0	0	0	0	0	25052	0	1985	3044	0	7201	7864	3173	593	0	0	17541	26934	557	0	0	10590	10315	16929	0	34210	29583	11419	2245	2402	2995	2033	12164	63735	33410	8304	31630	8283	2903	3560	4055	4337	0	0	0	1667	0	0	2454	9748	24092	9842	19785	2439	0	37054	14456	5260	5339	6454	0	3449	5223	2875	33132	23406	0	9724	12635	25530	33067	37673	2395	1261	1351	16722	2034	24030	0	1719	57698	Phytochemical	0.5769231	0.84615386	0.0
14	C20 H27 O14 N2 S1 Na1	575.11536	575.11633	0.06511171	575.11536	0	0	0	4324	6436	0	0	0	11132	3708	3844	2384	17912	0	1027	4818	0	5670	6226	7352	10264	25776	2606	0	0	0	0	0	0	0	0	0	0	0	14182	0	0	0	0	4050	17900	0	0	0	0	5132	27952	0	0	0	0	4398	2132	0	8320	12212	1318	0	0	0	0	5894	25952	11698	1726	10522	0	0	0	0	5267	0	0	0	0	0	0	0	2912	0	0	12280	0	0	7050	0	3624	0	2494	0	0	0	0	24118	11350	0	5430	0	5628	14464	11328	0	2738	0	0	0	5026	0	0	11456	Organosulfur	0.7	1.35	0.1
20	C27 H26 O14	575.1395	575.1404	0.13921142	575.1396	23506	28698	29510	26430	48382	24172	7437	6111	50326	72043	27064	4826	82298	26718	13079	4140	1532	52310	45224	48264	50578	74077	16834	5829	8622	17176	6408	15318	4665	2250	4946	2508	7055	4078	109385	3939	12105	11601	5184	28127	24626	5558	530	0	0	58417	67945	0	4911	3594	27783	27720	22217	0	51187	34263	16670	7460	10457	5388	6725	18902	80719	41879	10035	51943	13627	6003	20157	28807	23281	3937	1767	1949	4286	3246	0	6281	21673	32080	17515	48021	7158	18936	44384	22433	17964	6282	10467	3362	12500	14045	10521	51120	67694	0	24143	23665	40590	36807	37586	5107	5429	8202	47574	5421	38595	0	5489	59962	Phytochemical	0.5185185	0.962963	0.0
26	C27 H26 O14	575.1395	575.1404	0.21694088	575.13965	6381	3684	3076	4571	7598	2634	0	0	9370	17251	2422	0	22269	2956	0	0	0	10535	8449	7776	9140	10039	0	0	0	0	0	2413	0	0	0	0	0	0	19258	0	0	0	0	4565	0	0	0	0	0	10628	14064	0	0	0	4723	5056	7354	0	10218	7798	2866	2606	0	0	0	0	21770	7171	0	9146	0	0	0	9460	6259	0	0	0	0	0	0	0	5611	0	4808	7239	0	3229	12623	0	0	0	0	0	0	3082	0	9411	14397	0	4312	0	4156	8002	4915	0	0	0	0	0	7826	0	0	17537	Phytochemical	0.5185185	0.962963	0.0
22	C27 H26 O14	575.1395	575.14044	0.16326688	575.13965	17002	16294	14857	12485	27566	16695	3245	2017	36417	49754	14823	1662	40523	11539	4502	3766	0	31399	26162	27614	25301	34586	8308	6851	7132	6991	0	9104	1727	2862	0	0	4614	1960	66180	1494	4106	5324	2961	20709	13148	4276	0	0	0	41971	39943	0	3347	1484	12988	17783	15058	0	31072	25965	9415	3767	6096	2294	4873	14784	45349	21145	10488	22297	8774	2830	5191	17482	16882	1769	2115	1444	1824	1144	0	3693	15600	18187	10885	28695	2211	13103	33375	14054	8833	3628	6930	4100	7552	8512	4689	35788	46237	0	16016	16691	25853	24140	20812	2500	3591	5425	35352	3403	18599	0	5010	54844	Phytochemical	0.5185185	0.962963	0.0
14	C26 H26 O13 N2	575.15076	575.15173	0.21115288	575.1509	15678	13342	21480	15492	21652	8382	0	6898	19616	48494	24940	7386	32520	4186	11242	13796	11178	16110	28542	26746	38402	78108	9564	7224	7106	0	5262	0	4414	2820	8627	0	16942	4582	66050	5082	7844	3044	9780	34284	39594	7478	0	0	0	56090	55486	0	5178	6796	20306	19866	15286	0	34800	23108	6462	9486	0	0	0	32680	48878	26858	7264	21010	10190	8578	0	7696	10782	4386	6324	2994	7478	4350	0	6632	13754	39568	9926	38386	7608	15100	32328	8084	17302	6228	13030	12492	10984	12584	23469	42286	64730	0	16832	17054	16148	26418	21120	9416	5823	4980	80568	8924	15612	0	6732	34116	Phytochemical	0.5	1.0	0.07692308
20	C23 H30 O13 N2 S1	575.1541	575.1552	0.5807595	575.1545	7789	9100	10412	7325	11458	5111	0	3485	7209	22817	18248	2695	14167	2539	5895	0	2507	8730	7557	15326	15925	20729	3243	2140	2321	22187	2901	8644	4283	1583	0	2235	4849	2183	43014	1489	6568	3205	0	18646	13944	2372	0	0	0	23963	16724	0	0	0	6364	5830	5479	338	9363	8827	4726	3635	3672	1122	4765	11192	22515	11955	0	10370	3776	1473	19866	22812	28720	1423	0	0	0	0	0	1524	7725	10814	4168	13591	5007	0	11388	7518	5976	5749	3499	5363	2543	10633	5669	20813	22674	0	9998	7656	9401	7818	7628	4256	1924	1285	19767	6812	11209	0	2060	16870	Organosulfur	0.5652174	1.3043479	0.08695652
26	C28 H30 O13	575.1759	575.1769	0.26612404	575.1761	6788	7217	10436	8350	8680	7228	0	0	12656	27334	6500	0	22943	5991	0	0	0	15388	13194	18343	13723	11215	5326	0	0	5867	0	5716	0	0	0	0	2039	0	30732	0	4118	0	0	9509	7556	0	0	0	0	19849	16381	0	0	0	7720	7333	5463	0	13748	10925	6956	3971	3191	0	0	7480	23887	11359	3839	16737	4585	0	6402	18235	15953	0	0	0	0	0	0	0	9569	6084	6945	10765	0	9516	13626	6319	4803	0	3477	2520	5677	4475	0	10753	15623	0	8668	6905	6970	7381	9225	0	0	0	8837	2489	7760	0	0	20345	Phytochemical	0.4642857	1.0714285	0.0
10	C27 H30 O12 N2	575.18713	575.1882	0.2061796	575.18726	9578	8076	6501	5130	3579	2142	4753	7191	6092	21913	6371	5642	9836	1854	2658	4263	3761	6703	7394	13458	18340	21197	3444	8150	2493	2886	2606	3478	3021	2965	3319	4979	6614	3707	21780	3684	7255	3149	5200	16006	14553	2326	0	0	0	11871	15477	0	4812	2971	8374	4652	4211	0	6865	4988	2099	5913	4797	4637	0	9121	11131	6230	3193	5198	2134	5955	0	5589	5715	4582	4111	2311	3901	5799	0	2081	6973	6599	3942	7522	3850	9774	5098	1306	5892	3947	3396	7675	5276	5819	7085	11283	18237	0	6263	9453	2894	4749	3654	4442	1834	3733	0	3412	4396	0	4494	7442	Phytochemical	0.44444445	1.1111112	0.074074075
20	C29 H34 O10 S1	575.1945	575.19574	0.7085914	575.19495	9776	9368	18288	7695	7803	4576	4224	5057	10074	30328	20349	2694	10845	3482	4061	4124	3523	11309	14154	26129	29144	16681	4350	5620	4091	19324	1871	21366	6836	2328	2757	2025	4577	4512	46384	3721	7268	2185	5236	23533	38244	3929	0	0	0	30256	29562	0	4584	3760	10581	11546	4517	0	11106	6189	3275	6731	6033	4127	4813	27802	5269	5348	0	9942	4258	5853	16093	55350	45234	5582	2721	2742	2675	2576	0	3035	5059	14136	6158	9583	5162	11350	9843	4356	7232	4110	5035	7137	8187	23374	12727	14006	25943	0	7617	7440	8289	6542	8078	5542	2749	10530	8369	4660	4694	0	5747	12509	Organosulfur	0.3448276	1.1724138	0.0
28	C29 H34 O12	575.2123	575.21313	0.19483882	575.2124	4958	5136	6691	5613	5949	4368	2075	4140	9288	17081	5510	1153	15912	4279	3092	3850	0	7487	11804	13522	13350	5073	4743	3920	2933	9311	2191	4743	2533	0	4020	2349	3494	1989	17407	0	4480	3209	3206	5645	5798	2544	0	0	0	6242	6667	0	2836	0	4421	5835	5652	0	10473	8435	2971	4282	3749	1707	2892	4755	9789	4138	2324	9362	3710	2358	9701	21723	15160	3620	2023	0	0	2119	0	2369	8064	4795	3312	3820	2369	6120	9783	5194	6375	2459	2498	3900	4528	4453	2923	5557	7776	0	6597	5439	5422	8382	7785	2033	2573	4767	4719	2472	5075	0	2707	10649	Phytochemical	0.41379312	1.1724138	0.0
26	C29 H34 O12	575.2123	575.2132	0.17827576	575.2124	13021	15069	13111	13832	19871	14168	2543	11195	20193	48185	12218	5811	42085	7157	8373	7434	0	28142	23049	39875	34711	15910	10663	9715	9283	18065	2770	12264	0	0	8062	9758	8247	5822	45681	7700	9868	6237	6875	20925	15833	7273	0	0	0	19393	16790	0	9466	0	16137	16874	12583	0	20932	19884	7263	9409	7137	0	9786	17095	27489	18521	5361	21754	9502	0	25037	40842	33857	7203	4827	0	0	0	0	6087	17394	9690	12811	13911	5061	19254	27489	10854	10222	8889	8171	7397	9562	10868	13360	15863	27198	0	14837	14819	13381	22302	15580	8499	0	9601	17559	6233	14846	0	6807	30756	Phytochemical	0.41379312	1.1724138	0.0
14	C28 H34 O11 N2	575.2235	575.2245	0.14411046	575.22363	27280	21261	18777	17339	6559	7315	22820	17576	8916	36665	15477	9746	11176	5484	13354	21209	9176	13887	12380	27726	30001	38869	11637	18715	18648	5091	12563	17349	20185	16852	19066	24165	28551	11939	54345	11432	22540	14887	15861	28699	23296	10472	0	0	0	21152	9494	0	16384	13738	17627	24645	8501	0	10248	5665	9101	18858	28488	7563	0	26693	13951	8943	7926	9711	10936	12861	0	16009	10444	14423	14630	14644	9263	14293	0	13178	16317	16115	13047	13570	23054	24254	4379	12260	16724	9382	9473	15417	21213	34500	34171	15675	25768	0	19157	19302	4623	4984	7237	20388	8542	27574	19194	15769	8194	0	16742	11793	Phytochemical	0.39285713	1.2142857	0.071428575
12	C28 H34 O11 N2	575.2235	575.22455	0.2244144	575.2237	11441	10647	12589	9098	5126	3392	9944	12442	4074	21611	8507	6404	4916	2297	9850	7784	8415	6811	7412	18709	16769	22048	11709	12256	10905	4683	5327	0	11777	8416	10122	7708	12513	10336	39300	11706	14284	10700	11900	17398	19603	5522	0	0	0	16299	10747	0	13615	5968	17617	11829	7194	0	7896	4822	5117	14858	24505	0	0	19611	7036	4764	2697	7566	4856	11624	0	11622	10698	7257	8579	10319	6633	7117	0	11065	8748	0	6701	8427	13583	12088	3238	4871	12481	5213	6500	20408	12998	17096	19943	11462	16839	0	13820	9217	5168	3827	3420	8122	5917	14386	0	11602	3026	0	9671	8505	Phytochemical	0.39285713	1.2142857	0.071428575
26	C30 H38 O11	575.2487	575.2495	0.048582233	575.2487	28065	33718	23862	31726	37415	23129	10871	27455	46560	71384	33944	10492	74084	20486	25655	24265	13166	56184	58061	75706	72430	29217	25819	29104	23283	50346	9520	28617	22594	16565	19285	18661	26382	20554	81070	23598	29858	19113	13404	40789	24901	17893	0	0	0	39021	27199	0	22095	22440	34769	28211	27675	0	69667	37632	21255	22821	23076	8671	36956	26546	74649	40753	14078	46621	27736	14907	49212	93676	62914	17737	18952	17752	14234	18741	0	16399	38282	14357	26716	22125	20382	31865	50664	22182	33302	16931	18938	16430	24375	32773	36840	22077	31592	0	32006	32649	32461	46682	52284	25271	13319	30139	21190	23271	35988	0	19569	62239	Phytochemical	0.36666667	1.2666667	0.0
14	C30 H38 O11	575.2487	575.24963	0.1785208	575.2488	12729	12851	14785	16097	3644	4026	12001	16632	5531	16092	0	9706	4778	1782	13230	13681	18557	2330	7322	11804	8943	14065	11593	15571	11821	6727	12321	0	7392	14076	11300	16181	6967	6998	10660	11869	10740	9601	18778	9633	10951	6097	0	0	0	4351	6174	0	11342	13242	9709	9763	5049	0	6319	4201	4160	12867	11098	9069	0	6658	6366	6343	5028	5197	8722	16197	0	9782	10582	8883	7518	16498	14872	15664	0	9057	16072	0	11268	6707	10404	7783	6730	0	17422	2813	7203	22282	10352	13700	15568	9597	6790	0	7017	11402	5534	7203	7733	10678	7455	12627	0	12689	5068	0	11622	4394	Phytochemical	0.36666667	1.2666667	0.0
20	C30 H38 O11	575.2487	575.2495	0.050498337	575.2487	174230	184825	177286	172554	129535	97399	97781	172603	174895	338756	175593	86505	179420	92969	144238	168385	107942	165987	207301	346608	279797	175568	145268	176945	136534	251935	91898	182301	153612	135803	127029	152116	173160	120306	383148	151622	181183	112517	117630	219522	160178	100784	3546	0	0	175125	143108	0	149759	132429	170176	181650	117570	588	193512	142023	92831	171233	145060	84404	158352	144914	197104	165007	75361	150438	98145	122998	180132	367757	285715	135670	127163	147969	109704	133546	0	109983	175048	93577	135530	99621	132884	216163	161363	104493	163880	79746	108607	153708	188312	191181	214256	108569	156386	823	173960	173061	132548	138414	135610	171861	95022	172146	108162	141008	124030	0	121197	188117	Phytochemical	0.36666667	1.2666667	0.0
28	C29 H38 O10 N2	575.25995	575.2603	0.030185273	575.25995	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5056	0	0	0	0	0	0	0	0	0	0	1138	0	0	0	0	0	0	0	0	0	934	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3959	0	0	0	0	0	0	0	0	0	0	0	0	0	1551	0	0	0	0	0	0	1810	0	0	0	0	0	0	0	3227	0	0	21312	0	1366	2429	0	0	0	0	0	0	0	0	0	0	0	0	1044	0	0	2022	0	Phytochemical	0.3448276	1.3103448	0.06896552
26	C34 H38 O8	575.2639	575.2645	-0.020837808	575.2639	7722	7186	8821	4489	6143	0	3141	9521	9593	9119	15510	0	6611	5378	0	0	0	0	9914	14829	13083	4001	8461	8983	0	52606	4255	14487	0	0	6389	6703	8417	5170	9520	0	7563	4170	3338	10943	16666	0	0	0	0	0	0	0	5740	0	9234	8594	0	0	8443	9556	4745	6487	0	0	8775	10212	6503	8319	3439	10750	6650	5542	46278	31784	41717	6322	5168	0	0	7192	0	0	11136	0	8774	0	5630	16144	13359	0	9998	5330	6518	6026	3884	5550	0	0	0	0	9997	8676	4996	15853	18812	0	0	8326	0	5613	7173	0	4008	3742	Phytochemical	0.23529412	1.117647	0.0
22	C34 H38 O8	575.2639	575.26465	-0.18310104	575.26385	4120	7646	6043	4226	4035	2625	4547	4451	5732	5824	14817	5835	4816	0	3986	7934	4589	0	5062	12321	9955	7852	6716	6560	5015	25734	4099	11906	5164	5684	2860	0	5567	6251	7486	3973	0	6130	8487	11800	12944	2525	0	0	0	5657	5112	0	9841	5423	5204	6699	3965	0	6481	6754	5921	6318	5224	6001	9688	6515	4563	3744	3179	2410	4751	10649	24217	26242	30408	4139	3209	4849	3775	5893	0	3662	11284	6045	8315	3618	3947	10402	7884	4719	11147	4095	4752	6576	6143	4773	7021	5048	5355	0	7205	5477	4559	5746	8616	6018	5201	5991	3379	5913	5638	0	6919	3236	Phytochemical	0.23529412	1.117647	0.0
24	C34 H38 O8	575.2639	575.26465	-0.05524203	575.2639	12121	11079	11504	9826	7212	4830	5528	11111	9594	11709	20519	6045	6492	7065	7198	12338	7663	6620	11062	24036	14627	5972	6353	11978	7190	55252	3924	23516	6999	7410	9337	7158	8014	8313	13970	9337	8263	4736	9827	17591	19278	5825	0	0	0	10500	8314	0	9277	7121	12068	8511	7349	0	8570	11673	4943	9855	5529	7989	8245	11708	6917	7564	4076	9390	6241	9194	46293	34084	55409	9248	7352	5391	4577	6987	0	7603	13837	7611	10844	6360	8207	18261	14013	7847	12035	6802	5085	8697	6892	10337	7596	6790	5665	0	12888	10628	8402	12069	17110	8490	7195	13481	5101	7761	9272	0	10036	4093	Phytochemical	0.23529412	1.117647	0.0
4	C31 H42 O8 S1	575.26733	575.2682	-0.1376529	575.2672	1322	862	0	830	0	2334	0	0	0	0	0	0	606	0	0	0	0	515	0	0	0	0	0	0	0	0	0	11582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	704	87624	0	0	0	0	0	0	0	0	0	390	43070	6910	588	3664	0	0	0	0	0	0	0	436	0	0	0	0	0	0	0	0	Organosulfur	0.2580645	1.3548387	0.0
6	C31 H42 O8 S1	575.26733	575.2681	-0.1026752	575.2673	0	735	0	0	0	1275	0	0	0	0	975	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	13744	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	698	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	53501	0	0	0	0	0	0	0	0	0	0	26820	8955	0	6010	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2580645	1.3548387	0.0
18	C31 H42 O10	575.2851	575.28595	0.10290177	575.28516	27721	34152	28202	24350	16215	10387	26767	34420	20667	25834	21677	22696	15986	9885	20938	33969	32362	13506	25966	33818	25437	25998	23154	27391	25234	23542	27103	16246	30231	30140	27409	38266	31245	27006	23477	30311	29245	28564	46144	18388	20481	14379	499	0	0	13130	16003	0	28394	29336	28828	28263	16340	0	28119	21372	15382	25141	19429	17677	31604	12112	20135	19282	13712	18714	15371	49316	19052	19606	25130	19357	19917	30221	48732	42819	0	19187	43515	18329	27474	15754	26154	16209	23633	18604	33391	7512	16228	37635	30729	26841	38257	12902	20797	0	28088	24629	17583	23287	24217	34852	18709	28095	10051	26114	17731	0	31364	19668	Lipid	0.32258064	1.3548387	0.0
28	C31 H42 O10	575.2851	575.2859	0.04622983	575.2851	8906	9150	9118	10335	11092	7422	6225	9162	13581	16834	8005	4801	18463	7599	7919	9111	6228	10419	16030	19148	19198	9867	7242	10145	8942	18798	5904	10688	8574	9846	9354	7038	10845	6952	22341	8786	11417	6487	5961	11598	9383	5302	0	0	0	7807	3320	0	7821	8302	9824	8640	8447	0	17402	14695	6225	8797	7755	3834	10064	5570	17029	7390	4042	17733	7569	5785	15875	28069	27324	7068	5578	5399	4541	7849	0	6987	11851	7147	7770	4931	6242	8526	14178	10707	12862	4162	5412	8023	9222	11739	13473	5733	8898	0	12597	10530	6679	18905	15704	10373	3296	10429	4455	10764	10185	0	5844	13747	Lipid	0.32258064	1.3548387	0.0
22	C31 H42 O10	575.2851	575.2859	0.04399438	575.2851	137844	129951	131730	121811	114015	86042	82420	134798	134643	213080	147583	74147	143819	70825	127199	137106	89249	135410	179737	235409	202635	132195	118746	134393	130821	179007	74894	146440	135656	124838	128196	153362	155913	102688	256019	127539	162895	105766	106477	150783	100910	77321	0	0	0	121444	79386	0	133032	114597	132285	128794	99222	304	191711	130300	75051	144774	122622	63499	139337	101751	162788	138033	78438	116785	93093	105163	140201	265297	190948	100804	104922	105893	93709	115919	0	94501	157825	73625	124677	71058	107066	112788	138259	91962	145416	72213	93290	95319	145281	178383	156999	80866	113321	0	127211	133063	96840	118604	115176	159973	92704	140789	71425	127266	110179	0	99255	143205	Lipid	0.32258064	1.3548387	0.0
26	C31 H42 O10	575.2851	575.2859	0.022017002	575.2851	59479	59453	60292	49316	51933	43657	27256	63691	80981	94496	60487	26157	94444	38920	64278	54126	22713	86353	103517	122843	106106	62059	56184	67647	55604	100311	22591	68299	65361	60950	64103	61044	66628	48170	133850	64985	90534	49215	39350	82539	37689	36272	0	0	0	60660	27630	0	57332	56467	62735	59241	49098	0	106096	78111	36913	68115	56140	19526	65846	43217	89550	67666	27964	68345	41746	33083	75979	146600	92055	51606	48377	49197	27912	49216	0	38374	64808	30487	45032	36759	43911	49106	77613	46898	52053	33876	42250	33201	67780	68418	86464	34761	52615	0	56356	64438	44577	71257	75681	67503	32713	66934	38695	44446	48303	0	40551	73057	Lipid	0.32258064	1.3548387	0.0
24	C31 H42 O10	575.2851	575.2858	0.042705067	575.2851	129049	128040	118658	123388	114365	100270	64969	122846	150365	229266	129048	62098	174792	81368	118190	112290	68494	149986	197354	278020	216248	121483	114874	116746	110268	189878	64641	145461	123951	110645	118462	123509	143325	100276	307924	127152	172021	92763	73630	184545	86508	70519	1954	0	0	117250	58222	0	123953	103019	124925	130031	99088	0	219310	130808	64900	136584	119794	44119	131683	109984	180844	142544	60429	131541	95314	72813	147699	306850	195646	102764	102861	105916	69099	99692	0	88965	135952	67488	103236	70973	91782	111316	134222	98296	124644	70817	99344	79173	143860	168232	166329	79585	129513	0	127308	121112	92103	129517	123573	131075	71524	140410	74676	117473	100830	0	87357	159271	Lipid	0.32258064	1.3548387	0.0
26	C35 H42 O7	575.30035	575.301	0.011523696	575.30035	9034	13521	7874	6534	4931	0	5398	10958	6423	4673	11317	9866	0	5214	11616	12308	11794	0	5045	11975	9510	5395	7064	11592	12098	33917	5250	14715	10018	15821	12784	8030	7964	8104	5007	16591	11470	8488	11438	8945	13706	7254	0	0	0	0	0	0	10503	13480	8321	9945	5560	0	8214	13472	5861	12704	8631	6967	11938	7035	0	8254	4519	5428	6247	15991	31442	14255	22122	7369	8467	9836	0	13280	0	7019	13464	0	10900	4307	8136	9301	10698	0	14474	6282	5770	15776	3334	6890	10530	6443	0	0	10167	6692	7577	14250	18357	14032	6423	12354	0	10913	8039	0	8586	2779	Phytochemical	0.2	1.2	0.0
24	C35 H42 O7	575.30035	575.3011	-0.029010182	575.3003	9483	9558	7959	6779	4196	2210	5093	10447	6527	6304	10577	9007	1631	3426	6901	13846	14345	2151	5138	7829	7362	2515	4829	7414	10848	23786	6063	9151	9148	11734	9685	9926	8201	5662	4246	11309	9808	8195	15811	9361	15681	3883	0	0	0	7052	5443	0	8198	11550	6963	5478	5021	0	7199	7487	4958	9333	7579	10013	10350	4585	2125	6458	6091	4093	3208	14080	13922	11352	22556	7121	5775	10029	8021	8656	0	7338	13236	5431	10004	4248	6160	6840	7301	5169	13449	5555	4946	11464	5867	6967	8255	4882	3414	0	7379	7853	4899	10069	7299	14775	5718	9018	2516	10429	4826	0	11700	2004	Phytochemical	0.2	1.2	0.0
8	C32 H46 O7 S1	575.3037	575.3044	-0.20962617	575.3036	1000	913	1016	1013	0	3210	0	0	0	0	3670	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48868	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1478	1520	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	186723	0	0	0	0	0	0	0	0	0	0	139030	54672	0	15083	1157	0	1423	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.21875	1.4375	0.0
6	C32 H46 O7 S1	575.3037	575.3047	-0.06765346	575.30365	1197	1383	0	997	0	6015	0	0	0	0	1589	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56278	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	908	2156	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	204095	0	0	0	0	0	0	0	0	0	0	110089	53164	0	13296	1757	0	2064	905	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.21875	1.4375	0.0
4	C32 H46 O7 S1	575.3037	575.30414	-0.24681966	575.3036	0	423	476	0	0	1437	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	26584	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56130	0	0	0	0	0	0	0	0	0	0	37967	9826	0	2315	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.21875	1.4375	0.0
20	C32 H46 O9	575.3215	575.3223	0.082490675	575.32153	12515	12127	8723	9194	5115	2320	12921	9120	9101	0	2109	8920	3205	4539	10056	13339	28632	5066	10061	4381	6894	3616	7618	9301	7473	5584	16324	4701	11471	12545	9344	11792	17737	7685	3067	11783	10262	7676	27971	3336	3957	5960	0	0	0	2059	4737	0	9862	6788	8908	6689	5547	0	11435	10485	4887	12077	3847	7617	11293	2879	9616	11915	7858	6323	5364	32354	2924	5047	5317	7230	7853	15314	21797	13303	0	7393	13023	4631	8800	3948	11772	0	17879	6743	17784	4016	6458	16651	17717	9307	5629	3846	2028	0	10781	9088	5008	16659	17965	18377	5798	8779	1812	8967	6463	0	13030	3601	Lipid	0.28125	1.4375	0.0
28	C32 H46 O9	575.3215	575.32227	0.04902422	575.3215	11763	11009	10880	11630	10069	6086	13168	11371	10180	7135	9493	5728	15660	13711	11147	10934	19189	11221	18655	17147	12405	10929	7936	9296	15085	14630	23070	14070	21292	12881	12323	10477	30760	9750	20677	14023	29660	11886	22704	12164	5117	12659	0	0	0	10279	3666	0	12891	8301	11668	10399	10207	0	23000	21865	6617	13826	14347	4315	13730	8794	14311	13438	6400	13507	11781	23956	13589	21844	12884	8774	16058	10150	4697	10245	0	7203	17213	6483	8419	5727	19744	9380	19477	9949	20108	6227	8713	9443	12921	18652	15221	6057	5433	0	10441	12772	7428	24672	21168	24210	5402	15807	7405	12254	10704	0	7571	10337	Lipid	0.28125	1.4375	0.0
26	C32 H46 O9	575.3215	575.32227	0.019241633	575.3215	57091	52555	58711	54612	49842	34621	45749	71138	65652	50740	54316	33227	74281	49569	49100	54132	62085	72267	101487	96917	74854	45143	44524	51267	63074	80530	42475	68673	86695	62414	59253	65859	89508	50590	86162	78254	94401	46766	59079	72707	35997	49051	0	0	0	51753	27851	0	74593	61536	59897	57478	47706	0	111788	84543	32828	73315	64481	27684	69065	42004	71948	69492	33031	55040	55920	55367	65351	99437	62633	41974	50859	64152	38743	58614	0	44899	65251	34979	36918	31697	70974	48994	72884	53908	66570	31606	50904	40375	70460	80468	82148	36746	49095	0	56632	62446	41747	73579	82270	99885	29393	95624	33938	49114	59156	0	39130	58432	Lipid	0.28125	1.4375	0.0
6	C33 H50 O6 S1	575.3401	575.3404	-0.30712083	575.3399	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	25585	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	10797	0	0	0	0	0	0	0	0	0	0	24062	9975	0	1214	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.18181819	1.5151515	0.0
24	C33 H50 O8	575.35785	575.35864	0.04637772	575.35785	6475	9089	8262	8571	5183	4427	16976	8251	5539	1343	2597	7084	2919	7714	7495	14002	16333	2738	11598	2770	1585	1469	4598	7655	9552	2425	14483	5402	16243	19264	10337	16847	10293	6326	4335	15867	7226	4962	18395	3240	2734	6327	0	0	0	1970	2660	0	22202	11958	7997	9391	4595	0	16923	13533	6558	15593	4092	4222	13097	2122	4623	10138	5008	6354	7934	16793	2063	2759	2842	2818	7134	11061	15642	12610	0	6164	6159	5197	6171	1712	6554	5647	7038	11158	14313	3848	6138	17250	8997	14305	10480	3655	1473	0	8121	7662	4170	24027	17270	9094	6097	9052	2421	5949	9872	0	9345	1848	Lipid	0.24242423	1.5151515	0.0
26	C33 H50 O8	575.35785	575.35864	0.01105033	575.35785	14049	12540	13667	12993	11514	9263	34234	14411	15814	5790	7464	10821	13203	10126	13024	21017	18554	8175	20592	14926	5240	6852	11932	11405	21061	14737	28797	16792	18841	24322	14313	18331	21193	12071	8738	21815	19871	12277	25728	7992	8966	14800	0	0	0	7845	0	0	18871	16390	14115	11499	9809	0	33490	27810	10104	21369	12640	7159	17509	7165	11496	13051	14336	12207	16876	28190	7102	9471	9121	6173	11796	21309	18858	16747	0	10840	17753	9682	9520	6164	17018	11543	27330	18119	28692	5742	11724	24847	25419	22924	16795	5979	0	0	15449	11980	10183	29241	37937	24929	11679	23343	0	15052	20147	0	17596	9571	Lipid	0.24242423	1.5151515	0.0
28	C25 H21 O15 N1	576.0984	576.0992	0.12763672	576.09845	4777	3520	3112	3672	8006	5001	0	0	11307	7474	2174	796	23098	1967	0	0	0	14555	11101	4940	9117	12392	2650	0	0	0	911	0	0	0	0	0	0	0	9735	0	0	974	1197	4335	3310	0	0	0	0	10509	16834	0	975	0	5564	4638	6045	0	15089	11254	1790	0	0	0	0	2950	21715	9341	2638	8889	2476	0	0	1802	2105	0	0	0	0	1141	0	0	4344	7210	3508	9066	0	0	13339	5080	3251	1571	2653	2091	0	2357	0	10960	11555	0	6177	5106	7514	7044	8154	2057	0	0	12129	1659	5033	0	1168	19961	Phytochemical	0.6	0.84	0.04
26	C25 H21 O15 N1	576.0984	576.0993	0.07654487	576.09845	3838	3052	4890	6629	8933	7066	0	0	7396	6244	0	0	26374	3535	0	0	0	19524	8570	0	8139	12783	0	0	0	0	0	0	0	0	0	0	0	0	8628	0	0	0	0	2419	2748	0	0	0	0	11725	17269	0	0	0	3272	4645	4961	0	17748	14682	0	0	0	0	0	4290	21348	10392	0	7825	2874	0	0	2169	1618	0	0	0	0	0	0	0	3850	8560	2814	6569	0	0	14477	0	2214	2636	0	1768	0	0	0	14629	15951	0	4814	0	5641	7738	7970	0	0	0	19173	0	7675	0	0	23384	Phytochemical	0.6	0.84	0.04
20	C25 H21 O15 N1	576.0984	576.09937	0.1963526	576.0985	8806	4981	6564	3841	12660	5064	0	0	13115	6094	4570	1417	20803	2603	2744	2160	0	16634	10546	6002	8071	19270	2578	0	1986	0	1664	0	0	0	0	0	2115	0	7894	0	2561	1838	0	6633	6528	3916	693	0	0	11920	33796	0	0	0	5265	6351	8594	0	17484	13441	5806	0	1198	2911	2841	4921	31300	13141	5493	14285	5454	0	1697	0	1722	0	0	0	0	0	276	0	4475	15331	5057	18903	0	0	20926	7242	2875	2604	3437	0	0	3579	3621	25625	26900	0	6055	5998	13282	14630	15084	0	0	0	19497	1620	12464	0	1956	26083	Phytochemical	0.6	0.84	0.04
18	C25 H21 O15 N1	576.0984	576.09937	0.18120058	576.0985	7247	3954	2640	7844	10893	3351	0	0	13029	4295	3969	1160	27352	2532	0	0	1488	11291	15185	8535	12733	25038	2944	1477	2146	0	0	0	0	0	0	0	0	0	9487	0	1951	0	0	6181	7518	1893	317	0	0	11901	26284	0	0	0	6482	7249	7145	0	18658	20150	4539	0	1286	1489	0	5274	25797	12561	4780	13631	3165	0	2461	1421	0	0	0	0	0	0	0	1660	6630	18886	2986	16040	1268	1430	25186	7690	3668	2090	3805	1763	0	0	0	25021	22554	0	6780	5284	12450	15983	16483	1413	1837	0	21112	0	13625	0	1114	21682	Phytochemical	0.6	0.84	0.04
24	C25 H21 O15 N1	576.0984	576.0992	0.13201109	576.09845	10134	8042	8662	10076	19856	9180	0	0	25576	13860	5790	0	54780	4322	5240	0	0	32702	21600	8330	14536	25796	6292	4956	0	0	0	0	0	0	0	0	0	0	12860	0	2548	2718	0	3048	6268	4242	0	0	0	16782	49236	0	0	0	7544	11598	8832	0	35228	27432	7094	0	0	2794	0	10318	45638	26496	7960	16394	5452	0	0	4346	1585	0	0	0	0	0	0	2584	6270	24160	3958	20534	0	2264	29702	10520	6256	4140	4338	0	0	4748	0	26524	34334	0	6498	10428	15442	16432	27314	3138	2304	4470	30722	2076	19970	0	2566	50094	Phytochemical	0.6	0.84	0.04
22	C25 H21 O15 N1	576.0984	576.09937	0.23024257	576.0985	7261	5615	3123	4814	15412	6596	0	1358	16454	5111	0	1301	24867	0	1456	0	0	14702	7485	6075	9187	17307	3347	0	0	0	0	0	0	0	1254	0	1844	0	6937	0	0	1770	0	2685	7537	2113	0	0	0	13579	26211	0	0	1112	2975	4256	6253	0	15056	18539	4008	0	1138	0	0	4136	22404	11771	6138	10045	2612	0	1622	0	2070	0	0	0	0	0	1015	1171	4263	15872	3190	12763	1330	1680	18731	8960	3247	1671	2717	2621	0	0	1848	18863	15819	0	2469	3665	11995	15358	11975	1800	0	1475	19416	1345	13191	0	1325	20048	Phytochemical	0.6	0.84	0.04
22	C26 H25 O12 N1 S1	576.117	576.11774	0.0792753	576.11707	4580	2218	7780	6946	6002	6198	0	0	6664	9123	2851	2980	11940	0	0	0	0	0	0	0	6748	9145	3744	0	0	0	0	0	0	0	0	0	2426	0	13803	0	0	0	0	4342	2966	2508	0	0	0	16750	49862	0	0	0	6438	0	6054	0	9262	5358	0	0	0	0	0	7332	6488	2523	2292	3746	1216	1306	5905	7624	9082	0	0	0	0	0	0	0	0	9739	1080	16616	0	4231	5208	0	0	0	3520	3404	2057	0	0	16754	13785	0	0	6793	4446	4326	5776	3944	0	0	42374	0	3522	0	0	7550	Organosulfur	0.46153846	0.96153843	0.038461536
12	C26 H25 O14 N1	576.13477	576.1358	0.20236905	576.1349	88827	107002	106108	129335	163183	46820	5096	6792	184592	151739	30706	82754	271883	38803	58469	58067	79034	226535	166799	112614	203892	538380	86802	69957	4268	4246	38839	0	41037	36307	62857	6878	96118	50283	268487	8582	67588	62651	75800	88857	274772	53954	0	0	0	264536	631671	0	37821	46611	69506	81367	130557	0	77118	170399	52939	71563	0	0	0	141527	322724	192209	51171	159932	91864	30388	0	10640	31027	69038	48257	30117	42922	4202	0	56773	97045	0	78474	238623	42175	90826	166858	75770	109836	63815	46696	133722	72366	81564	82551	331957	168301	0	121475	96598	152316	178259	166753	85065	33694	64016	114170	59445	138547	0	38512	308269	Phytochemical	0.53846157	0.96153843	0.038461536
20	C26 H25 O14 N1	576.13477	576.1357	0.19762227	576.1349	10703	13676	15720	13473	21400	15442	3546	2646	22098	34757	13623	2271	61440	7554	5807	4845	2017	27651	22893	27096	35461	45439	6962	7389	4101	3611	2692	7638	2782	2971	0	3349	6596	1560	42052	1290	5766	2438	0	22894	15072	4924	1041	0	0	47345	49803	0	0	2423	16920	9723	13353	0	34009	25087	9138	3683	3873	1873	2959	13422	44677	23836	7607	25139	8583	4128	7352	10642	7518	1287	1117	0	0	0	0	4399	10400	33459	7308	34386	3705	16521	33368	16892	8630	4669	8078	5479	3654	12492	5761	41111	47569	0	12998	17098	20646	15233	29876	4930	3421	5680	46288	3880	20907	0	4715	40506	Phytochemical	0.53846157	0.96153843	0.038461536
18	C26 H25 O14 N1	576.13477	576.1357	0.15897486	576.1349	43973	27060	31390	26930	46692	26772	3692	7944	42768	82620	34956	3376	113264	16982	14486	11128	7918	68966	57158	89200	84100	125274	22869	18737	7420	13948	8146	16898	0	4052	7908	0	12726	0	106662	0	8920	9572	0	49176	43917	10648	1066	0	0	90204	108878	0	6670	3304	20276	37676	32750	0	72268	62866	21602	11156	18988	6930	7042	46296	112148	48806	21424	58260	22704	8992	17174	17154	22938	5515	0	0	4662	0	0	3860	20264	71150	11704	76760	5860	27184	65914	33362	23066	11156	19720	8718	22476	19418	23602	105930	138944	0	23628	35016	36078	47418	58612	11704	7570	12754	90294	13818	41740	0	7356	81110	Phytochemical	0.53846157	0.96153843	0.038461536
22	C26 H25 O14 N1	576.13477	576.1356	0.099000156	576.1348	14556	11046	13302	9044	12596	10788	0	3218	19515	25990	8322	2315	28505	6137	4676	3190	0	24005	18477	20862	23649	24369	5755	3535	3699	4127	2471	5494	1517	1250	0	0	1919	0	28616	0	2241	1880	2160	13585	7636	3432	0	0	0	33532	39916	0	2116	0	11709	11157	10091	0	24512	13522	6409	1814	0	1860	3806	8056	25421	15258	3844	14110	6224	0	4177	4944	11119	0	1196	0	1027	0	0	2437	5938	21858	4443	26768	1826	5633	19324	11628	6284	4460	5180	2182	3430	7325	6914	24023	47102	0	10840	10098	13032	11081	10127	2937	0	2497	31057	2643	14424	0	3565	28791	Phytochemical	0.53846157	0.96153843	0.038461536
26	C26 H25 O14 N1	576.13477	576.1358	0.11656249	576.1348	2997	3250	5184	0	5032	2827	0	0	9152	16828	2125	0	19295	0	0	0	0	12629	6973	10320	12822	13197	0	0	0	0	0	0	0	0	0	0	0	0	16292	0	0	0	0	4765	5513	0	0	0	0	12005	22320	0	0	0	3912	3439	3353	0	9464	6917	0	2206	0	0	0	5419	14167	6594	0	5080	0	0	0	6666	3353	0	0	0	0	0	0	0	0	6698	3118	10155	0	2397	7933	0	0	0	0	0	0	2734	0	7714	24728	0	5195	0	4078	7866	0	0	0	0	7246	0	4630	0	0	14862	Phytochemical	0.53846157	0.96153843	0.038461536
16	C26 H25 O14 N1	576.13477	576.13574	0.18808317	576.1349	18504	14886	12292	13594	24969	9496	2389	2084	26112	37060	21173	2595	50480	7225	4090	5085	2876	32534	20111	28172	42234	43493	8375	4093	1889	4878	3074	11843	3028	2090	3436	0	5845	2057	59001	1464	7792	2357	2468	18064	17922	6547	0	0	0	41353	52774	0	4662	0	17850	17439	12412	0	31917	22562	9852	4660	3277	5047	0	19006	46148	22196	6168	29037	9455	3268	9732	8343	10049	1889	0	0	2671	1922	0	2739	6891	42861	5805	30534	1932	11017	27315	12668	8764	5919	6927	0	5231	5876	0	42594	61668	0	14765	18069	16954	15196	17654	5311	1733	9226	39717	0	19731	0	1896	44622	Phytochemical	0.53846157	0.96153843	0.038461536
10	C25 H25 O13 N3	576.146	576.1471	0.27011192	576.1462	5234	4838	4496	3264	7174	0	0	0	9178	5356	4900	5140	0	0	0	0	3428	3728	4604	5370	8512	16368	3928	4804	0	0	0	0	4144	1888	0	2522	3356	2596	8826	3892	4364	3090	2248	7380	13218	0	0	0	0	10234	22718	0	2242	1858	2112	2952	4304	0	10468	8700	0	3836	0	3140	0	5050	19468	7802	4950	7906	4492	0	0	0	0	0	0	2462	4754	0	0	2358	6316	0	2940	6606	0	3026	9002	2448	2676	2814	4108	3894	0	5074	7646	9776	9300	0	4904	5990	4124	10920	7390	3816	2170	0	0	4586	3302	0	3086	8872	Phytochemical	0.52	1.0	0.12
28	C23 H29 O16 N1	576.1559	576.1566	0.014025396	576.15594	0	1889	1965	0	1712	1574	0	0	1405	3403	0	0	0	0	0	0	0	3096	0	3127	4566	3726	0	0	0	0	0	0	0	0	0	1116	1289	0	3386	0	0	0	0	2626	3019	0	0	0	0	21585	28202	0	0	0	1821	1103	1646	0	1896	0	0	0	0	0	0	3615	1149	0	0	0	1916	0	0	0	0	0	0	0	0	0	0	0	0	4090	0	16103	0	1278	0	0	0	0	0	0	1124	0	0	0	4160	0	1540	2626	0	1005	0	0	0	0	23335	0	0	0	0	0	Phytochemical	0.6956522	1.2608696	0.04347826
8	C29 H30 O8 N1 S1 Na1	576.16626	576.1667	0.02507559	576.16626	7275	1341	8735	6010	13450	6359	5759	7305	19755	12815	6475	5300	31245	4590	0	9620	0	13055	10725	0	11070	16084	10845	8875	0	0	0	0	4120	0	0	1392	7190	0	10910	5975	6910	0	5050	9515	13103	3955	0	0	0	13320	26870	0	9780	0	9645	7085	6294	0	14535	15415	7765	0	0	5800	0	0	22243	16950	0	10070	3305	6525	0	0	0	4580	3855	0	0	5455	0	0	9854	0	7800	6195	3960	0	17655	0	0	8615	7126	11702	0	0	0	11390	11470	0	0	8920	11785	16271	25915	0	4845	0	0	4780	10905	0	6110	21267	Organosulfur	0.27586207	1.0344827	0.03448276
16	C27 H29 O13 N1	576.17114	576.1721	0.08763627	576.1712	30845	29085	26963	30216	24073	16120	8142	16907	33256	100473	45074	8139	53340	11501	14249	12699	8399	32088	36161	77265	74961	62494	15529	16128	11223	37457	5757	26203	13112	11370	10290	10200	10692	9083	117723	13620	15953	10417	12747	46940	37561	11946	505	0	0	54066	56337	0	12169	10611	29327	24607	19991	0	39416	24407	11042	17739	10483	5449	12323	37120	44830	25302	12330	31490	15500	7072	28368	31760	31100	9550	9272	10686	9091	7379	0	9632	18408	38092	12517	38443	10241	34171	29231	14418	16234	9219	12691	0	13947	25311	0	41620	74761	0	30047	26619	18705	26112	19423	10585	8757	16060	44181	18320	21413	0	14793	37767	Phytochemical	0.4814815	1.074074	0.037037037
20	C27 H29 O13 N1	576.17114	576.172	0.055220842	576.1712	48129	33648	34100	35750	46051	29095	13202	8432	60662	132434	51030	8591	85425	18980	22456	17843	8839	61692	56866	96514	91892	86529	22000	12936	19458	43391	6186	28171	9077	8483	10445	8820	9972	13407	158042	6670	17278	13149	7272	62627	39685	14118	858	0	0	100808	89674	0	16512	10844	37382	42166	27413	0	60194	38498	20314	16184	16708	7779	17786	40427	70279	35432	18739	46445	19065	10607	45109	60323	39412	15661	15915	9806	7660	11043	0	7798	22979	47656	21200	65572	20517	38662	45793	25092	19283	16853	13853	8871	19548	28814	30623	58089	89357	0	35873	43305	41222	38490	39740	13548	13223	17968	82995	13358	34725	0	10522	65379	Phytochemical	0.4814815	1.074074	0.037037037
24	C27 H29 O13 N1	576.17114	576.17206	0.19202527	576.17126	14006	13936	16268	15020	17820	18721	0	4396	26488	78286	19269	0	52498	10224	7762	5250	4052	36700	34298	41831	44912	34122	10606	10014	6814	19466	0	13130	5730	3426	3660	0	9970	5072	90272	2806	0	4418	2916	19464	25013	0	0	0	0	55832	61042	0	4416	0	14614	18096	15936	0	25972	19306	9915	0	8358	3534	3153	25356	44664	24044	8966	17820	9180	4268	21920	40368	27339	4826	2532	0	0	3458	0	4330	18962	14758	10476	43473	5226	35811	27158	8638	8366	5923	7524	5130	11078	17724	14689	27978	68175	0	20260	19696	24968	21580	17592	5572	3566	6266	41104	2816	21008	0	7084	46729	Phytochemical	0.4814815	1.074074	0.037037037
22	C27 H29 O13 N1	576.17114	576.172	0.117094934	576.1712	17570	18947	19744	21843	28979	15742	2965	9320	34576	74730	25080	0	52106	9694	8634	9666	3236	34460	31535	54638	43527	41716	10325	10873	6593	26790	2888	15233	8604	3079	6823	0	6298	4926	78350	6266	7136	3984	2935	37481	19170	10440	0	0	0	69251	66261	0	10040	6047	18231	19972	15197	0	42754	26721	9464	14400	7985	3541	7902	32785	51565	30479	10513	28488	14643	3673	24939	40600	36873	10485	4810	3955	4537	5661	0	3596	16810	23712	13767	43665	3192	25538	31511	20324	12098	5986	9007	5482	9556	16887	19608	30051	58874	0	20727	23952	27919	21603	21337	9447	7024	12330	47532	9276	24267	0	5757	51781	Phytochemical	0.4814815	1.074074	0.037037037
26	C27 H29 O13 N1	576.17114	576.17206	0.16549572	576.17126	5206	3996	0	3812	7226	3926	0	0	6992	22218	0	0	12158	2371	0	0	0	12682	7058	9166	14992	8151	0	0	0	6677	0	0	0	0	0	0	0	0	22570	0	0	0	0	8280	6721	0	0	0	0	14969	15952	0	0	0	6127	3977	3907	0	10712	0	0	0	0	0	0	6457	11836	7258	2355	4612	0	0	5717	11891	9460	0	0	0	0	0	0	0	2926	0	2542	12550	0	3023	9467	0	3233	0	2376	0	1564	0	0	9346	19019	0	4203	0	4588	4031	4849	0	0	0	13490	0	4761	0	0	13226	Phytochemical	0.4814815	1.074074	0.037037037
10	C27 H29 O13 N1	576.17114	576.17224	0.34576094	576.1714	19005	24750	16260	12069	9447	4845	8358	7161	13104	52719	27291	3954	29256	5655	4425	6003	10893	13325	12756	26982	37515	32376	5169	8352	4743	9051	8046	17061	7212	7473	3885	5874	14569	4728	66066	7782	10023	7431	6696	21984	26874	4005	0	0	0	20514	33081	0	6837	0	13473	9930	11262	0	19671	12963	10746	10386	0	9417	0	15957	9363	12753	0	12447	9091	7680	0	20997	18726	5652	0	5292	0	3815	0	3681	17763	39711	9495	18432	2874	13386	17664	6270	11994	6535	3918	12111	0	10392	20294	29217	33459	0	18015	10458	13347	15027	14190	9826	0	12150	0	7143	12831	0	8223	23788	Phytochemical	0.4814815	1.074074	0.037037037
24	C26 H29 O12 N3	576.1824	576.18317	0.101038195	576.18243	2935	4089	3947	1220	5951	2604	0	0	4399	22522	6525	1391	5849	1266	0	0	1805	2639	2175	9773	11189	7551	0	0	0	9703	0	8208	0	0	0	0	1941	0	21905	2326	0	2812	0	7714	8561	0	0	0	0	8223	12489	0	0	0	1420	2160	1974	0	4615	2276	2478	1374	2139	0	2134	4977	6477	4616	0	1784	1461	0	9469	12611	15765	1131	0	0	0	1131	0	2708	1463	5479	6807	7796	0	5187	5253	0	2845	2816	0	0	0	2854	5161	10620	8778	0	3805	2682	3732	3573	2755	0	0	3044	5838	1481	1388	0	3209	3715	Phytochemical	0.46153846	1.1153846	0.115384616
16	C24 H33 O15 N1	576.1923	576.1932	0.060593802	576.1923	35428	37419	28415	35878	28761	26053	16974	38081	42790	45933	18315	13304	77373	8837	46520	27974	15568	71740	55216	68559	65980	65163	39581	36365	28195	7577	10787	12043	40955	32628	31285	28155	39741	20630	61277	30841	34279	26927	13393	43953	21072	19824	373	0	0	143671	120073	0	27353	29657	38041	32334	23775	0	77945	26508	17617	21642	31789	13307	31553	38922	57607	41617	13909	32776	27065	11364	13042	13397	8748	35739	25534	37697	12946	21306	0	26694	22664	39486	20758	97687	18057	20257	34598	25062	15916	9889	22065	0	15687	26216	36080	37462	55598	0	36945	47564	28994	21871	22514	36102	21430	39521	137027	30289	29472	0	17276	41832	Unclassified	0.625	1.375	0.041666668
14	C24 H33 O15 N1	576.1923	576.19324	0.07432147	576.1923	22058	16077	21834	20714	16656	13340	12873	33877	29538	28116	18083	14528	45031	8996	31765	29142	12928	37906	39250	34670	37226	41013	32714	24910	16571	4873	10545	0	29768	20806	16705	14653	28692	17947	36975	24218	20203	19761	14592	29316	22135	18216	0	0	0	94753	106630	0	16475	27153	19750	22293	15909	0	48588	21363	10992	24641	33263	12455	20855	25674	35107	22885	12463	22925	17941	11741	0	9077	8224	22203	17426	27290	13684	19428	0	23273	19684	30600	19017	63134	11969	13609	21396	23999	15325	9425	17855	11917	7316	16259	33319	43575	44337	0	20060	32233	21104	16343	22250	31107	14190	33550	128707	15071	18249	0	11284	26893	Unclassified	0.625	1.375	0.041666668
26	C28 H33 O12 N1	576.2076	576.2083	0.06411391	576.2076	6645	5816	6718	6363	11218	5303	0	0	8521	21698	6398	0	15412	3610	0	0	0	15714	12395	16260	18084	10286	0	0	0	11510	1733	5296	0	0	0	0	3931	3490	24584	0	2906	3797	3181	13712	7867	0	0	0	0	13293	15214	0	0	0	5364	8479	4829	0	9971	0	0	3252	3392	0	0	6603	13225	6569	3192	8680	2762	0	11972	27941	22485	0	0	0	0	0	0	0	5774	0	4494	8782	0	7920	7677	0	5794	3076	0	2691	3304	4666	4367	7980	13366	0	7089	10396	6716	5576	7861	0	0	0	10037	0	6561	0	0	14633	Phytochemical	0.42857143	1.1785715	0.035714287
24	C28 H33 O12 N1	576.2076	576.2084	0.10888384	576.20764	12590	14445	12311	9916	16787	10713	2761	6580	18586	53380	15946	6822	35870	8284	7171	7300	4067	21743	23045	38630	36106	18448	9450	6663	7205	30162	3672	11262	5476	4517	3236	3601	7390	4500	50981	5537	9061	4842	4184	26267	15428	3084	0	0	0	36275	31647	0	4853	5768	13978	11124	12221	0	19410	17676	6171	5718	5862	3326	9687	22640	31909	15972	5801	16458	5977	6598	23277	43579	36513	16520	3923	4484	4408	3133	0	5294	11226	9745	5988	19475	5820	14240	22179	11316	9570	3982	6242	3306	8997	10644	12082	18566	27640	0	13736	14412	11439	13722	18665	8904	3448	8296	20103	6658	14382	0	7253	29035	Phytochemical	0.42857143	1.1785715	0.035714287
16	C28 H33 O12 N1	576.2076	576.2085	0.111907735	576.20764	33246	32516	35012	38805	19890	22050	20863	31275	28003	98232	43911	17393	36427	12482	21952	34604	19110	32894	48180	89146	83002	64872	27544	39700	26339	51298	16803	37273	27677	21360	23990	31425	34467	21978	119195	22824	25135	22099	17436	53336	58293	17092	543	0	0	48009	38959	0	35793	27596	38968	37305	21333	0	29431	21083	14261	26288	25233	22922	29787	40705	37418	26548	11008	30204	17068	19055	39668	64009	52526	29359	24751	29466	16134	18320	0	19780	20685	33333	21673	30680	21203	41958	26836	18505	24597	14616	19392	29356	24637	42950	50739	32304	60682	0	32136	38211	20479	22230	18833	37007	15211	27388	37402	33953	18877	0	18666	38802	Phytochemical	0.42857143	1.1785715	0.035714287
22	C28 H33 O12 N1	576.2076	576.2084	0.06987092	576.2076	195165	168149	160799	202234	179625	123580	54006	165508	237886	654243	257355	46291	252085	99867	128641	89987	52153	243462	266561	451734	456040	234353	155811	113546	149754	417459	72360	274105	112175	69435	119253	109736	98663	100527	767938	117503	129244	118607	83697	346111	183773	87055	0	0	0	324523	189560	0	125143	73937	207579	204894	137057	0	270990	191230	65228	165444	137346	47136	144560	214161	335410	192735	80193	202335	90735	67711	351453	613289	448604	156899	86881	93986	65641	90113	0	94894	183993	140228	126845	189044	74534	241433	211033	172959	155873	80795	105227	60169	103830	93947	167437	145407	298697	0	163625	152405	179482	175797	122553	138054	56372	147341	196682	115212	155888	0	104800	318120	Phytochemical	0.42857143	1.1785715	0.035714287
12	C27 H33 O11 N3	576.2188	576.2198	0.19806066	576.2189	20130	20106	9794	12974	9209	6997	17650	20393	12633	14027	8455	10238	11724	2764	19170	18039	12384	9739	15186	13403	16106	21711	13870	26446	21464	3367	10655	0	16934	11238	15485	14838	25256	12841	31917	11467	14373	15936	13808	18652	19826	8409	0	0	0	0	7748	0	15879	11585	15265	18455	6749	0	10094	8436	8437	23233	19412	7194	18147	12333	11665	7770	5504	8943	7196	16750	0	6158	3016	18167	14357	13147	7142	15002	0	11536	14783	0	12212	0	15073	11622	11274	8189	21316	8855	9148	24952	18055	23565	37492	9665	11266	0	16207	14910	9295	7103	9515	17804	11312	18551	0	20690	7385	0	18940	14061	Phytochemical	0.4074074	1.2222222	0.11111111
16	C25 H37 O14 N1	576.2287	576.22955	-4.48261E-4	576.2287	25590	24554	30045	30018	16903	18932	18323	45777	30796	37007	13044	20206	39277	6768	47122	30840	14729	36473	45440	45480	37675	35459	41837	35801	31284	8357	18986	12874	36955	35400	33995	33610	43742	25048	41720	37879	37544	28034	13563	34108	12074	20325	426	0	0	65220	38812	0	31213	34024	27713	24906	17871	0	52386	18728	12920	28996	39814	8675	35342	25322	26529	28391	10168	22957	20348	13261	7706	16663	6244	36753	26988	35281	19262	25773	0	28154	26295	17852	21399	33785	24150	18739	25850	20365	17191	14351	17319	0	21026	24023	54979	20004	32071	0	28379	32550	17734	14613	16676	34062	17955	42158	41929	28201	23595	0	22078	27132	Lipid	0.56	1.48	0.04
18	C25 H37 O14 N1	576.2287	576.2295	-0.036345623	576.22864	34301	40185	32337	31552	17181	24297	17701	46597	35204	42647	14648	17316	61824	13203	58895	29453	9189	45108	52464	63121	44600	49706	35982	39411	50535	10263	15013	12934	51954	33826	39998	36354	43445	26872	55836	43969	47882	31906	8327	42581	13479	23437	833	0	0	99116	27486	0	32007	46338	34864	30669	21198	0	88647	26589	14861	29522	43932	6882	40908	28777	50636	44175	12044	36945	29828	13206	7860	19735	5660	32624	34051	51726	12794	29401	0	29841	23635	17919	24409	47981	24600	18799	27447	28007	14388	12400	24805	11626	25528	39703	48890	21048	39583	0	30657	40989	19561	11754	25842	37971	19804	39515	41204	26497	26188	0	22384	43965	Lipid	0.56	1.48	0.04
14	C25 H37 O14 N1	576.2287	576.22955	0.029233288	576.2287	13671	15722	12035	12525	7794	10179	11025	28103	12294	15790	9417	7579	15854	2379	25795	18978	11331	21048	18523	23505	21858	17994	19020	22947	21112	5894	10013	0	21011	21960	17267	18308	22851	17213	28133	15616	16647	17544	9390	13536	8119	12527	0	0	0	34033	21943	0	17652	19788	13180	12647	7058	0	23519	14334	5693	14327	22237	6695	0	14676	14892	12583	8596	11792	8294	7867	0	9741	5555	13913	18092	23095	11238	16530	0	12454	14726	0	13490	14989	12245	9350	10597	11664	13566	7505	10043	8672	14336	13454	27499	11450	16377	0	15012	14455	7101	8054	11301	23548	10651	18530	0	13424	9353	0	10904	15488	Lipid	0.56	1.48	0.04
28	C29 H37 O11 N1	576.24396	576.2446	0.06400881	576.24396	3254	4439	5605	5148	5442	2827	0	2905	5298	11074	4406	0	8672	2334	2518	3325	0	5202	4857	10301	9885	3753	0	0	2621	15067	1146	4220	0	2527	0	1976	2877	2748	11020	0	3417	1222	1808	6875	5994	0	0	0	0	4369	4938	0	1224	0	3806	3217	3495	0	6588	3073	2847	1194	1676	0	3386	2834	5741	4848	1981	6814	2648	1946	12398	23516	20318	2158	0	0	0	2072	0	1349	4575	3074	2391	2899	1531	3856	4060	2406	3014	1325	1232	2230	2244	2391	3641	2770	4503	0	5628	2941	3609	6343	6116	0	1233	0	2929	2072	2573	0	0	6158	Phytochemical	0.37931034	1.2758621	0.03448276
26	C29 H37 O11 N1	576.24396	576.24475	0.08290382	576.24396	12576	11233	13613	9305	16032	9968	0	6204	14166	30303	13119	0	27452	7411	0	8347	0	15243	16532	30897	31208	9088	5497	9759	0	33128	2267	7463	0	0	7759	0	6921	7138	34914	9041	7871	3748	3094	21112	13703	6356	0	0	0	14751	10299	0	0	0	12708	11477	5129	0	16893	11748	4036	9121	4435	3232	8446	10559	19989	12907	4129	13800	7979	3962	35018	51079	42143	9931	6606	0	0	4929	0	5564	8683	0	8256	9626	6066	14117	17229	9477	8613	7576	5431	2256	9555	5430	11098	6845	9508	0	6432	9730	7871	12419	12131	6532	2711	9358	7833	3654	12888	0	6100	17567	Phytochemical	0.37931034	1.2758621	0.03448276
14	C29 H37 O11 N1	576.24396	576.24493	0.2125203	576.2441	10621	10934	9470	9021	4947	5950	7817	14958	4964	23835	12336	7482	5404	4723	8706	17310	15062	4491	9898	28657	25861	20573	10320	20642	10607	16286	7063	8739	11185	10106	12236	14353	9905	9594	22837	13706	14619	9700	12641	16900	18263	3327	0	0	0	12128	11539	0	13545	12948	13603	17038	5068	0	9312	5910	2479	15826	6848	0	0	10315	7842	8196	3143	6234	5828	10966	0	25453	15472	11926	9034	8983	9857	10234	0	8303	10172	0	7292	9079	10073	9163	4424	5997	14817	7828	5499	14566	14602	9996	21451	8174	16851	0	11278	13284	4790	4258	7547	10441	6657	13445	0	10995	2147	0	12188	7402	Phytochemical	0.37931034	1.2758621	0.03448276
22	C29 H37 O11 N1	576.24396	576.24475	0.043268606	576.24396	66841	54979	47952	51029	62989	50352	21528	55823	64064	135660	74770	28749	79251	31961	42471	50206	26017	79320	83241	144516	123410	68924	52409	61921	41024	224858	19416	60560	55881	34760	34388	43632	50210	44090	150402	46933	50441	30800	23174	87476	56577	34382	0	0	0	85720	51855	0	47669	45052	52721	52380	40267	0	78542	56459	28295	49863	42941	22738	44804	73241	70780	51594	28143	52168	45724	25171	100331	175820	119228	48409	34691	35360	24707	34269	0	38497	47519	31552	46351	43242	30186	64098	64447	38438	40861	31362	36414	29882	59234	63932	73375	37712	71655	0	50236	60359	45057	42919	48148	48102	27911	51490	54294	42569	51342	0	34151	86282	Phytochemical	0.37931034	1.2758621	0.03448276
18	C29 H37 O11 N1	576.24396	576.2448	0.045416884	576.24396	49063	51391	40441	43562	29722	25616	30347	52632	29585	94886	45163	29844	41053	25295	42625	53493	28881	44582	59510	126984	102379	62949	41871	60519	36261	88337	28428	46592	53421	39866	40137	41902	51998	47372	103627	63169	50597	27786	34418	70555	56274	34624	774	0	0	59178	45779	0	48950	54950	44472	43670	29899	0	50455	33973	20815	46767	33507	26673	54424	39813	44419	35411	17769	39513	29398	35530	68664	95865	96148	43820	37151	41656	34589	36712	0	29937	46776	29070	36765	38137	30903	47470	36271	29046	37712	23751	27670	46481	57622	54030	83690	38442	55927	0	42298	60435	28519	27900	27263	53976	26990	61037	33435	46531	24129	0	32403	46623	Phytochemical	0.37931034	1.2758621	0.03448276
24	C29 H37 O11 N1	576.24396	576.2447	0.041828237	576.24396	28223	25875	26469	25393	40160	27414	9460	19656	39262	83707	32509	10562	54701	14371	18073	20766	10734	40819	47917	76368	67890	33855	23010	27294	16395	67117	7390	31575	20928	15000	16083	16302	21315	17688	89367	20067	26804	12680	13039	45774	29133	15801	0	0	0	42568	30544	0	20091	20695	28650	28281	23260	0	37123	32522	15351	21594	18720	8783	19294	34391	42235	31700	11571	38147	18314	15097	55718	108281	82980	23133	22574	14601	11578	15920	0	16296	26713	15774	19686	25678	13392	33780	48383	19453	17914	14007	18870	14799	22730	24883	26752	21084	28990	0	31247	31900	24012	24424	39169	22286	9719	23124	21001	19235	26501	0	15031	48033	Phytochemical	0.37931034	1.2758621	0.03448276
12	C29 H37 O11 N1	576.24396	576.245	0.1662658	576.244	6132	7505	8582	5684	1735	3079	3468	8132	3416	16357	9804	3299	3282	2064	5644	5502	3378	2210	4220	23683	18459	8892	5768	7548	4785	5343	2808	0	5940	4874	5454	5596	7780	5493	17693	7149	3497	4380	6550	11206	8607	2638	0	0	0	7739	3167	0	6183	5792	6139	5360	2742	0	5183	1658	2116	7666	0	0	0	7104	3901	3286	1383	3077	2788	6633	0	9895	7460	4331	3104	5014	4025	4221	0	5220	5335	0	3922	4565	2919	6981	1647	1973	7294	2145	5346	10177	5387	0	12989	7779	9838	0	7488	3763	1649	2245	3766	8982	2239	8439	0	4821	2740	0	6396	2970	Phytochemical	0.37931034	1.2758621	0.03448276
8	C23 H37 O12 N5	576.25116	576.2524	0.5509396	576.25146	0	1163	1425	1997	654	1385	636	988	0	0	4963	0	0	0	0	0	0	0	0	0	0	3544	0	1539	0	0	0	25955	0	0	0	1126	0	933	0	0	1065	0	0	0	0	0	0	0	0	0	0	0	0	0	2538	2379	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	899	862	0	0	0	0	0	23124	0	0	0	0	0	0	0	0	0	0	270438	78026	0	9653	5830	0	2140	2551	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5217391	1.6086956	0.2173913
10	C23 H37 O12 N5	576.25116	576.25165	0.301117	576.25134	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	991	0	0	0	0	7115	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1647	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1155	0	0	0	0	0	0	6531	0	0	0	0	0	0	0	0	0	0	102111	24142	0	4677	0	0	2296	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.5217391	1.6086956	0.2173913
4	C23 H37 O12 N5	576.25116	576.2524	0.16750419	576.2512	3189	2166	0	515	0	3423	0	0	822	0	0	0	0	0	1635	1479	0	0	0	0	0	0	0	0	807	0	0	17850	0	0	3207	0	1953	3762	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1821	2307	0	0	282	1422	0	1314	0	0	0	0	0	0	0	0	1266	0	0	0	0	2289	0	1728	0	490	0	0	0	35019	1131	0	0	0	0	0	2733	0	0	0	150864	34206	1352	9921	4419	0	0	2310	0	0	0	0	1983	0	0	1416	0	0	0	0	Peptide	0.5217391	1.6086956	0.2173913
20	C30 H41 O10 N1	576.28033	576.2811	0.03401155	576.28033	48347	43331	54559	45515	37224	26333	31788	52252	31788	55939	40465	32137	39137	26014	42008	62553	43693	41336	55341	70804	79475	47576	44540	64980	41170	99564	34758	39190	56878	51366	39961	50635	49979	54618	61754	54569	52193	34563	37198	63144	50334	34328	963	0	0	34382	45080	0	54473	52054	51879	46163	29910	0	51170	38130	18398	57151	40068	32005	65686	35894	24887	35724	21634	36669	26845	41148	72637	92758	92433	48037	43303	43203	44249	49377	0	35225	46891	26208	33509	22504	40088	49608	48338	32704	45870	31869	34190	49783	57286	60612	65297	20990	42931	0	44914	59037	30818	30227	37126	70203	31131	60314	28122	46078	32950	0	38783	35862	Lipid	0.33333334	1.3666667	0.03333333
24	C30 H41 O10 N1	576.28033	576.281	-0.001823209	576.28033	56014	53519	59586	48267	61493	41445	15614	55958	55253	197870	65711	24546	74335	32288	41921	43406	26183	130282	83455	122977	236562	48806	51439	55785	43660	131402	17919	55059	49660	43173	37498	44135	53748	48777	131332	50516	66873	31845	29440	90010	50227	30746	0	0	0	69108	40832	0	43749	45467	49293	49138	43942	0	74866	59734	27657	54829	43584	21819	55423	47077	67300	55043	22598	62822	31800	29391	103822	165827	121848	45675	47362	47396	21643	35389	0	35588	50026	25880	40724	29387	32631	51122	61059	40091	48538	29569	34172	30958	61697	62667	72749	29412	53689	0	54092	52602	41580	44421	53488	53306	26804	61837	34114	53328	46605	0	32664	57882	Lipid	0.33333334	1.3666667	0.03333333
26	C30 H41 O10 N1	576.28033	576.2811	-2.95605E-4	576.28033	21932	16922	18748	15994	23128	13362	5172	18862	27745	36401	21453	11551	31455	14928	14604	15312	7556	22735	38124	57122	44585	18373	21098	24324	15486	70787	6434	21848	15906	13696	16289	13059	17538	15098	51311	15842	23647	10157	9005	35174	23389	12429	0	0	0	24089	15008	0	17352	12069	20193	22657	18920	0	29136	27185	12282	18344	12402	10446	22745	18104	29803	23514	7367	28243	16636	12346	56570	83296	74381	17634	18143	10832	6942	17097	0	8845	21762	12348	18404	14483	13600	21739	31076	22854	18999	11410	13058	12864	17256	21713	20838	8898	14966	0	22263	21323	16503	27405	29176	22433	7486	18257	18423	12768	18579	0	9749	29548	Lipid	0.33333334	1.3666667	0.03333333
28	C30 H41 O10 N1	576.28033	576.281	0.029390423	576.28033	4056	4022	2690	3644	8155	2639	2128	3884	3917	10284	4883	1171	7091	3722	0	4806	2447	4464	4604	9609	9367	3921	3178	4433	0	24031	1758	6280	4365	3554	2211	3246	4171	3137	10976	5606	3454	2371	2115	4694	5666	0	0	0	0	4561	4064	0	2660	0	4156	3557	4617	0	6650	6466	2056	3944	1348	1908	4681	3057	6808	5461	1911	4927	4241	3523	19355	28874	27984	2681	2072	0	0	1814	0	1535	7082	2717	2734	2829	1471	4716	6028	2696	4505	2281	2021	3322	3265	5505	4990	2715	4012	0	4860	5659	3539	8497	8776	3670	1838	3333	0	2713	4510	0	2226	6989	Lipid	0.33333334	1.3666667	0.03333333
22	C30 H41 O10 N1	576.28033	576.2811	0.029663265	576.28033	75409	69562	65653	62595	74710	52288	36804	82504	62045	108382	70667	42997	76991	43302	55753	78730	39060	79884	100771	147314	127451	62705	68917	91435	65497	164442	33810	71832	80345	59126	63552	73201	78515	65933	122939	66552	82904	51877	44006	95861	61564	48493	0	0	0	83622	60872	0	68313	66242	70712	67814	56221	0	80916	74745	35328	78539	56723	34297	86009	62688	80212	59544	28940	64025	50260	46546	110764	206244	155174	60274	59652	61093	43419	68465	0	49356	66526	39538	52274	42311	51277	133314	79371	52477	65505	44602	50086	44465	84356	99487	86540	42578	68069	0	62296	77588	45305	50053	58593	79576	41067	167290	42106	64498	58580	0	50224	71659	Lipid	0.33333334	1.3666667	0.03333333
18	C30 H41 O10 N1	576.28033	576.2812	0.08979692	576.2804	20791	21877	25968	23242	9430	10350	17986	30541	8562	16476	16271	17516	12266	8339	16178	38336	22001	15132	19438	36657	28480	15851	15460	29002	16772	32416	18160	13896	22042	29164	23589	24492	23411	24343	21514	26235	22747	15545	25370	29439	23564	16203	0	0	0	16599	15695	0	25883	26468	17029	14972	13206	0	18824	12670	9022	24777	13615	13335	25191	16760	9453	11495	8387	15605	11297	26214	25717	26294	30522	21212	16535	24302	25708	23111	0	15625	23155	12040	17342	10642	15450	18030	16083	17382	27412	11871	14921	28013	23665	22670	39981	12936	19338	0	22017	23496	10214	10039	12542	29225	17800	25010	6430	16336	11508	0	15933	12634	Lipid	0.33333334	1.3666667	0.03333333
6	C24 H41 O11 N5	576.28754	576.289	0.29294506	576.2877	3129	2304	2013	2571	0	7158	0	728	0	1540	5114	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	38356	0	0	0	0	0	0	0	0	745	0	0	0	0	1131	0	0	0	0	0	0	0	0	2736	3015	0	0	0	0	0	866	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	140458	0	0	0	0	0	0	0	0	0	0	255705	83964	0	19526	6365	0	3752	2469	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45833334	1.7083334	0.20833333
8	C24 H41 O11 N5	576.28754	576.28876	0.35001945	576.2877	6038	4997	3177	8651	0	3999	0	0	0	4775	11369	0	0	0	0	0	0	0	0	0	0	1107	0	0	0	0	0	99452	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3849	5640	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	205164	0	0	0	0	0	0	0	0	0	0	594673	213339	0	34776	12037	0	4630	3370	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45833334	1.7083334	0.20833333
10	C24 H41 O11 N5	576.28754	576.2885	0.3062483	576.2877	5598	6484	1732	3206	0	0	0	0	0	2629	8011	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	69575	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6343	3780	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	131860	0	0	0	0	0	0	0	0	0	0	498688	134812	0	23053	9658	0	3106	5233	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.45833334	1.7083334	0.20833333
12	C28 H41 O8 N5	576.3028	576.3037	0.23354895	576.3029	0	0	0	0	0	1531	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6983	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	49173	0	0	0	0	0	0	0	0	0	0	99616	34779	0	0	0	0	0	0	0	0	966	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.4642857	0.17857143
14	C28 H41 O8 N5	576.3028	576.3032	0.24964441	576.3029	1883	2341	1728	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1413	0	0	13267	0	0	0	0	0	0	0	2071	0	0	0	0	0	0	0	0	0	0	0	0	0	1586	2178	0	0	0	0	0	0	1775	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1351	1322	0	0	0	0	56637	0	0	0	0	0	0	0	0	0	0	240526	40368	0	4491	0	0	0	1971	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.4642857	0.17857143
22	C31 H45 O9 N1	576.3167	576.3175	0.002896147	576.3167	25395	27785	29119	25907	16828	13949	20996	36138	18317	21420	19532	15495	19549	19147	24470	33456	34131	22333	28390	41418	36212	16423	23738	33246	25047	41954	21394	24372	30220	32443	27451	31924	33506	30851	23377	30380	35317	25789	26526	27445	17528	18518	0	0	0	19126	13366	0	31238	28532	25498	21214	18403	0	27337	25256	14460	35443	20472	14879	39770	17187	21659	18174	12169	20792	18439	26160	30617	47129	43945	22575	22650	28952	26363	27509	0	20638	27283	12571	24523	9625	18590	17082	24078	20638	28331	16103	19361	31978	35250	31856	38258	11926	18420	0	20521	26872	16145	18983	19485	35619	19007	35012	13234	26516	20367	0	22263	22012	Lipid	0.29032257	1.451613	0.032258064
10	C31 H45 O9 N1	576.3167	576.31775	0.29789084	576.3169	0	0	0	0	0	0	0	0	0	0	1327	0	0	0	0	2192	0	0	0	0	0	0	3975	0	3144	0	0	0	998	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1174	0	0	0	0	0	2567	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1234	0	0	0	0	3259	0	956	0	0	0	0	0	5275	0	0	7002	25807	9462	1870	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3293	0	Lipid	0.29032257	1.451613	0.032258064
16	C24 H49 O14 N1	576.3226	576.3235	0.07725314	576.32263	40813	34590	35969	34983	58391	43968	34085	18676	28883	18170	39158	37598	21247	91139	19964	16556	18345	18529	19828	17871	11777	19557	22710	19986	22991	27356	67944	44933	15842	15611	30120	27224	28227	27634	26851	21619	21545	29165	24428	27168	45692	19590	64137	80662	50629	20822	21894	76741	29245	20199	38699	39401	40907	43652	22808	18266	62130	28501	199295	42697	24514	66991	34844	33927	52616	53961	53251	27381	27177	27267	30235	25700	26237	18331	10919	28509	57632	27227	34845	47412	30122	38797	32839	34620	22301	36871	24660	34261	30365	0	26694	25944	0	34429	15349	69182	37331	26729	35832	33791	20926	13124	34774	41990	1499149	24306	28865	82303	29858	23380	Lipid	0.5833333	2.0416667	0.041666668
8	C25 H45 O10 N5	576.3239	576.3246	0.1484561	576.324	0	0	0	0	0	840	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5628	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	43339	0	0	0	0	0	0	0	0	0	0	111726	42235	0	1830	0	0	1333	0	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.4	1.8	0.2
18	C33 H46 O6 N1 Na1	576.3295	576.33044	0.14133222	576.32965	0	1981	0	0	0	0	9641	1854	0	0	1459	3404	0	0	3193	2143	13697	0	0	0	0	0	15286	0	0	0	11606	3107	0	2253	1963	0	8503	0	0	2174	9386	3559	14747	0	0	0	0	0	0	0	0	0	1575	0	0	0	0	0	0	0	0	1466	0	0	0	0	0	0	0	0	0	14748	1021	0	0	0	0	2131	43135	0	0	2138	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2566	0	0	0	15033	2111	1795	0	4532	0	0	0	0	Lipid	0.18181819	1.3939394	0.03030303
26	C32 H49 O8 N1	576.3531	576.3539	0.015143611	576.3531	11953	8522	7886	8438	10818	6756	6449	13207	8893	4488	10765	5883	8534	4505	10490	16363	10581	5204	17952	10658	8802	6038	14524	10313	15938	18526	9103	13217	21929	17020	10986	15703	17629	10965	3539	22148	17249	9627	13928	8984	5789	12141	0	0	0	6423	0	0	13621	10903	8660	9146	11530	0	18778	16658	7498	14991	8973	5992	15728	5907	8543	10496	4194	9081	7820	10523	13192	19667	11633	9409	10900	13793	6951	13467	0	10499	18482	0	8506	5483	12799	10141	15265	9927	73353	6469	11541	7682	15203	14920	15007	4843	0	0	9325	11996	6203	19412	20293	17214	6443	13717	0	11155	14071	0	13363	8410	Lipid	0.25	1.53125	0.03125
14	C32 H49 O8 N1	576.3531	576.35376	0.14744174	576.35315	3438	1972	2504	0	0	0	2533	11633	0	0	0	17643	0	0	0	6724	0	0	0	0	0	0	0	0	0	0	9159	0	17866	37950	16543	11927	4427	10465	0	15672	2752	0	0	0	0	0	0	0	0	0	0	0	37686	16170	2317	3557	0	0	0	0	0	4069	0	0	0	0	0	0	911	0	0	0	0	0	0	17846	11811	9303	12573	15309	0	9692	0	0	0	0	0	0	0	0	0	1471	2371	0	0	0	0	0	0	0	2192	0	0	0	0	4991	8646	3425	0	0	0	0	0	0	Lipid	0.25	1.53125	0.03125
14	C25 H53 O13 N1	576.35895	576.3607	0.11237827	576.359	0	0	0	0	0	0	0	0	0	13521	7409	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1412	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1803	0	0	0	0	0	0	0	0	0	0	0	0	74151	0	0	5041	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	16715	143689	0	0	0	0	0	Lipid	0.52	2.12	0.04
16	C25 H53 O13 N1	576.35895	576.35986	0.08931428	576.359	16566	10998	14754	8226	11000	13900	19652	9986	14860	14316	27458	11642	0	11376	9022	11336	12468	4038	0	9140	5546	10648	9028	7994	8918	5258	21764	22590	5178	4760	8024	12918	10586	10730	5820	7268	8616	15180	18746	10146	24116	5396	22558	23766	16658	10498	25130	22130	8060	5392	16654	16116	15162	13722	4932	7036	13170	12148	86812	26188	22090	12226	12460	9544	13554	9328	9060	16930	17070	13190	13042	12540	8828	4990	5496	7601	18584	16386	13472	27820	7484	13422	9984	11236	9322	8686	12128	9446	9674	0	0	14208	0	12514	6964	22886	13904	12908	11498	13618	5078	12838	14544	27714	205078	0	7306	25632	10854	4788	Lipid	0.52	2.12	0.04
16	C25 H20 O16	577.0824	577.0835	0.33106956	577.0826	1904	2751	2677	3316	11568	3518	0	0	13106	0	1710	0	23523	1768	0	0	0	5381	10647	2315	0	5485	2399	0	0	0	0	0	0	0	0	0	0	0	2140	0	0	1210	0	0	1476	1808	257	0	0	1891	5567	0	0	0	2351	2280	4710	0	6493	11894	3549	0	0	0	0	0	28023	12412	2642	17530	3161	0	0	0	0	0	0	0	0	0	0	0	2504	0	2103	6087	0	0	20716	2461	3370	1092	2507	0	0	0	0	19410	6065	0	1736	3452	12013	20983	24798	0	0	0	4650	0	14827	0	0	21255	Phytochemical	0.64	0.8	0.0
18	C25 H20 O16	577.0824	577.0834	0.18858027	577.0825	10880	5086	6756	8150	27080	9166	0	0	27730	0	0	0	79088	7080	0	0	0	23240	12876	0	0	29256	6124	0	0	0	2926	0	0	0	0	0	0	0	18652	0	0	2734	0	2974	9320	3188	0	0	0	9086	24624	0	0	0	4928	12828	14632	0	22170	36206	12348	0	0	2140	0	5048	69556	31006	11418	34558	3998	0	2148	0	0	0	0	0	0	0	0	0	6634	16632	8200	13110	0	3400	44218	11084	6274	6430	3360	0	0	0	0	29220	25826	0	7334	8262	29360	52632	43882	0	2388	0	20884	0	28020	0	0	56186	Phytochemical	0.64	0.8	0.0
24	C25 H20 O16	577.0824	577.08344	0.35148758	577.08264	6252	6184	6688	8834	13440	8112	0	0	22188	6638	0	0	44866	5238	3810	0	0	20002	14544	0	4282	16562	4470	0	0	0	0	0	0	0	0	0	0	1744	5458	0	3218	0	0	1932	4322	0	0	0	0	8594	14942	0	0	0	8488	6380	4876	0	19136	21096	4608	0	0	0	0	2684	32082	16312	3622	12498	0	0	0	0	0	0	0	0	0	0	0	0	6678	9116	7434	6770	0	0	24862	0	2474	2530	2890	0	0	0	1644	17750	14188	0	4618	5122	13750	18964	23994	0	0	0	10758	0	14610	0	0	31350	Phytochemical	0.64	0.8	0.0
24	C26 H24 O15	577.1188	577.1198	0.1806239	577.1189	8374	11654	7702	5710	20658	9802	0	0	25524	25330	8264	1628	50676	6892	5918	0	0	37458	12816	11690	7744	35466	5862	2982	3114	0	0	3912	0	0	0	0	0	0	34242	0	0	4368	0	0	4732	0	0	0	0	24698	37044	0	0	0	12032	13166	14656	0	22992	20650	7056	2606	3272	0	0	7800	51666	18280	3190	17038	3026	0	2377	15080	5932	0	0	0	0	0	0	0	8194	11368	8596	21010	0	7406	14606	8780	8770	0	3826	0	0	0	5356	27918	36194	0	9160	4288	13476	16098	16284	0	0	2970	19684	3250	19310	0	2772	43022	Phytochemical	0.5769231	0.9230769	0.0
22	C26 H24 O15	577.1188	577.1198	0.2610833	577.11896	27717	32382	20274	29823	53949	28032	6942	8523	65247	63792	25248	0	105967	17955	10500	0	0	83868	23517	22944	28272	69483	12087	4884	4854	10428	3612	0	6282	0	0	0	7668	0	52251	0	6888	8991	0	22653	16017	5424	0	0	495	59346	86406	0	0	0	28830	28155	27114	489	65766	55191	16341	6249	3825	0	0	14784	99738	53643	16173	60810	13476	0	15771	0	11715	0	0	0	0	0	930	6531	15246	31344	20427	73509	3105	0	60654	38196	11970	10068	8955	7065	0	14238	5253	56190	82338	0	27885	17280	44781	48822	34800	4614	5118	6600	62262	6459	42399	0	0	87114	Phytochemical	0.5769231	0.9230769	0.0
14	C26 H24 O15	577.1188	577.1198	0.16499431	577.1189	12692	13016	12128	14193	23946	8840	2396	1858	27011	21840	14946	3305	38847	9480	3797	0	0	20523	19607	11307	18479	36800	6722	3999	2044	0	3700	7917	2284	3102	1360	0	2955	0	43222	1478	3250	6785	2647	6497	12584	6543	0	0	0	24005	45395	0	2790	0	9979	10991	11416	0	27034	24634	8684	0	0	0	0	6581	56804	24350	11213	34439	8195	1634	0	4094	8682	1254	1733	0	1502	1193	0	2901	15972	16823	12263	23267	0	2452	26981	10484	11237	3622	6127	3619	0	3883	4923	50234	29626	0	10645	12450	18606	34853	30383	3821	2485	4771	23427	3978	23598	0	2562	37170	Phytochemical	0.5769231	0.9230769	0.0
16	C25 H24 O14 N2	577.13	577.13104	0.12676993	577.1301	5198	7368	7846	2500	5620	2047	0	0	9453	3663	2688	1845	17609	2127	0	0	3445	12999	8698	2369	7238	21631	1538	2643	0	1286	0	0	2069	0	0	0	4308	0	8846	0	1636	1090	1432	8143	7206	2625	0	0	0	21353	28807	0	0	0	6319	2810	5634	0	13096	7817	3303	1940	1787	2188	0	7387	18929	7867	2140	9001	3589	3015	0	0	0	0	0	0	0	0	0	1031	4566	10616	0	14913	1671	0	8890	1929	0	3795	4322	0	0	3217	0	22584	12437	0	3431	4272	3704	7653	7603	2843	1320	0	21612	0	8160	0	1451	15100	Phytochemical	0.56	0.96	0.08
14	C25 H24 O14 N2	577.13	577.1311	0.30563703	577.1302	0	3263	2686	5542	7422	2928	0	0	7465	5755	4990	2017	11915	2149	1685	0	0	4687	9020	6063	10115	21707	2939	2485	1386	0	1311	0	0	0	1979	0	0	0	11040	0	2299	2115	0	6660	13005	1807	0	0	0	13116	29421	0	0	0	3026	5199	2942	0	7779	6531	1652	1919	0	0	0	4814	18752	9022	2181	7486	3234	2913	0	1947	0	1097	996	0	0	0	0	2002	3387	0	2074	13397	0	2019	6450	2932	3247	2439	3280	0	0	0	3052	18120	12857	0	3927	6659	3831	7496	7127	0	1244	0	18635	1638	4958	0	1330	12964	Phytochemical	0.56	0.96	0.08
16	C24 H24 O13 N4	577.14124	577.14246	-0.35389194	577.14105	18248	7784	9372	4894	8777	0	0	0	9202	21886	18454	0	12670	4684	0	0	0	9750	5955	17016	11374	24036	3836	0	2718	9076	3053	8276	0	0	0	0	0	0	63121	0	0	2158	0	10059	9411	0	0	0	0	15074	32665	0	0	3845	9105	0	5412	0	14348	7864	3358	3298	0	0	0	19186	16625	14600	2456	11044	2996	1477	0	3114	13938	5382	0	0	0	0	0	3042	1627	0	3990	13593	1271	7540	11995	7500	7070	5000	1611	0	0	6312	0	30826	62854	0	5660	3724	9349	10236	7231	0	0	3602	14650	0	7674	0	3630	16156	Peptide	0.5416667	1.0	0.16666667
20	C27 H28 O14	577.1552	577.15607	0.17062233	577.1553	35731	28968	25662	27923	47336	27077	6997	11713	54751	84110	28230	6036	87218	19218	15998	14017	4345	47825	46390	65498	48665	73514	15221	9101	18272	21827	6131	19520	8575	9356	12654	7742	14208	8046	125980	6963	11547	14147	0	42999	25112	10467	837	0	0	98202	70789	0	10546	10229	27523	37023	30260	0	62455	40545	18142	9731	13452	5228	10191	29281	77029	38873	13740	47768	22319	5863	19391	36217	24297	10532	10890	5134	4067	7530	0	10200	27776	35825	17933	76673	8879	36160	42497	27597	20497	8941	17099	6963	16724	23909	17594	50991	67273	0	34947	36327	43522	37397	40193	12490	9172	14065	62463	9190	33895	0	7161	79180	Phytochemical	0.5185185	1.037037	0.0
12	C22 H32 O12 N4 S1	577.181	577.1814	-0.037429262	577.18097	10026	0	8340	8034	7791	5547	16728	5913	9831	0	0	9339	11232	3027	8452	0	8370	7890	7362	12387	11998	0	13728	8274	9675	0	9177	0	4068	7404	8676	12393	11556	11094	15645	8772	15984	0	13062	7863	0	5346	0	0	0	12876	0	0	8994	7320	11463	0	4551	0	16566	3933	2844	12732	0	0	0	9465	15383	10983	8760	9195	4080	0	0	3158	8162	6360	6951	7164	11226	10647	0	9741	12903	0	4104	7694	6573	7578	7320	3654	11291	0	6291	19032	8016	11550	25569	0	9468	0	13968	10953	0	8946	0	6507	8718	0	0	9048	1053	0	10293	6159	Peptide	0.54545456	1.4545455	0.18181819
26	C28 H32 O13	577.1916	577.1925	0.33304352	577.1918	6304	6859	4793	5343	9377	5703	0	0	11767	25359	6141	0	21699	4237	0	0	0	12702	8608	14951	13371	9364	0	0	0	8738	0	6187	0	0	0	0	6209	0	25475	0	7201	5111	0	12196	10263	0	0	0	0	12843	8988	0	3306	0	5077	6430	6087	0	12829	8455	3883	2443	4531	3347	5110	6587	16616	5679	5636	11628	5553	2769	5779	17361	13284	0	0	0	0	0	0	3251	9122	7315	6086	10560	0	6274	10303	0	4948	6004	0	2272	6839	5737	0	9339	10402	0	8054	8081	5991	7473	7477	0	2960	0	11420	4433	9140	0	3030	17000	Phytochemical	0.4642857	1.1428572	0.0
12	C28 H32 O13	577.1916	577.19257	0.22445953	577.1917	12891	12440	11425	6721	4848	3749	10371	10362	8997	16779	19861	5548	7781	2937	6291	11440	7815	7115	6506	17832	18916	10673	10231	11115	4535	8496	9914	0	6779	8128	7106	9279	10747	10318	27383	6483	8324	4888	11150	10660	28156	4513	0	0	0	14066	25565	0	9895	9096	11201	14101	4461	0	7951	3671	4011	13607	7339	14530	0	11166	9739	5240	3684	7851	3934	12708	0	15113	18546	7955	7131	5921	10314	8237	0	5405	10287	0	10103	13371	5492	11841	9793	4337	9432	2835	3953	7549	4022	8852	9075	10645	6255	0	11279	6949	10537	5851	7290	6356	7639	15436	0	7868	6157	0	5911	7271	Phytochemical	0.4642857	1.1428572	0.0
24	C28 H32 O13	577.1916	577.19244	0.22678658	577.1917	18039	16838	17091	15995	19383	18089	4026	10739	33717	62142	11735	6634	42935	8906	9008	8056	5106	28893	25507	34863	31057	22333	11933	12407	8415	23094	4200	12877	8355	5975	6407	7176	9305	7638	56583	5922	12971	8759	5609	28351	17036	5653	0	0	0	33533	32638	0	7946	7062	16080	15956	15684	0	27617	21738	10109	7257	12307	6522	7465	21321	33409	23707	6151	27106	11674	6086	13731	34383	21415	7695	6892	5539	4659	5705	0	6973	21675	11902	14101	29187	5539	18328	17541	12711	14206	8586	7007	6099	9436	15890	16029	17611	28816	0	15451	17931	16774	19346	19855	4644	6367	10186	27979	9013	17365	0	7962	44098	Phytochemical	0.4642857	1.1428572	0.0
14	C27 H32 O12 N2	577.2028	577.20374	0.06439606	577.2028	21899	25004	23079	25904	16246	11405	18021	23224	19051	52628	16984	12963	23612	8134	18992	26858	15278	17616	19029	40146	33139	44298	17720	23663	18879	5814	12069	18801	23776	17024	21523	26230	35795	16403	72913	16588	27146	17688	18210	44463	30099	10716	0	0	0	38437	31013	0	24144	18384	20191	22719	9952	0	22092	14554	9826	22301	32026	10504	22096	29837	24010	17915	7637	17394	11877	13559	0	19352	13210	20072	14044	15488	13718	16289	0	15542	19458	16327	17025	19397	18417	27713	11328	13209	14999	14723	13060	33028	27225	27260	36224	23236	36809	0	24490	23318	6786	10543	8582	25751	13857	24548	85640	19637	12320	0	16274	18035	Phytochemical	0.44444445	1.1851852	0.074074075
24	C29 H36 O10 S1	577.2102	577.2108	0.28652206	577.2104	91123	73902	80471	47392	40909	112595	34734	24153	43890	165935	163884	11548	96990	86270	9196	71805	14496	50446	40456	180216	183052	77497	20342	78280	14744	169908	8830	141075	6982	44242	49240	78898	55084	114766	197046	44434	43973	12982	12948	157123	146946	6702	0	0	0	109299	61697	0	52741	55732	56873	59854	66418	0	34454	33402	7858	44551	53553	37192	46422	58850	66583	27268	58738	96848	43784	13154	165583	315913	282416	35237	9912	0	19876	16788	0	21939	34797	59115	34594	40235	61792	144224	48626	19780	38502	25714	60178	24918	78824	91030	76962	119293	117551	0	31162	82410	47511	72444	29120	18163	6580	67728	47616	38348	48430	0	18770	99296	Organosulfur	0.3448276	1.2413793	0.0
22	C29 H36 O10 S1	577.2102	577.2111	0.42514688	577.21045	8323	22352	10692	19152	8628	7985	3887	4805	12244	40957	17923	3445	13411	0	3430	5709	3439	15576	10704	57560	68814	38078	7749	6814	8798	32432	4164	15790	7058	4650	4401	0	6030	3553	52176	2645	5440	3863	5226	61452	38476	4441	0	0	0	18530	35032	0	4073	7562	27508	9892	5933	0	11044	17580	2602	7648	6703	5052	5669	41204	18898	10759	3476	10502	5716	3078	12684	64734	22817	4793	2941	2941	4102	3369	0	2350	6055	10520	0	11204	16436	39358	6685	5489	11428	5681	3777	9361	42708	46216	16392	28476	43806	0	17254	7890	11296	7158	8459	9561	4288	21044	13463	11310	6953	0	11684	8843	Organosulfur	0.3448276	1.2413793	0.0
18	C29 H36 O12	577.22797	577.2288	0.10028904	577.228	139961	126790	110625	117960	85267	70034	70393	112226	106200	277458	140085	67171	121476	49231	101818	110079	68694	110481	143344	233758	215352	132694	116808	122622	93045	146254	70144	119600	113739	93699	101335	117949	124160	101635	311409	106160	109648	91130	83046	159210	113204	58917	2297	0	0	154397	110862	0	117077	97061	129873	124499	80673	0	149715	87528	52095	111863	97813	60111	105244	108255	136036	119036	59111	108740	66214	86211	117191	225545	198873	92787	86466	119599	78803	113330	0	84028	116573	73907	104465	102581	95131	118385	100000	66946	108234	60312	71617	98012	108495	116815	138501	80367	134071	507	123586	121049	97728	89545	77424	115880	72971	124512	90349	92348	70727	0	90360	125016	Phytochemical	0.41379312	1.2413793	0.0
20	C29 H36 O12	577.22797	577.2288	0.100300394	577.228	316224	298308	311812	275590	242472	212052	185834	276020	317504	764294	317724	151568	368372	158110	264554	262966	137910	319682	364578	639378	555492	353727	246118	308808	248520	719528	141926	287492	244412	242946	226896	249882	274990	229030	898032	235261	328020	192342	141768	437956	253766	174430	5322	0	0	404598	267328	0	257860	216202	291918	311206	218374	0	403584	248266	148158	270720	264472	119128	262530	266136	396610	309934	131996	284080	200396	158616	280702	607041	400332	260728	245308	224756	150584	230856	0	187862	299266	175574	216204	233864	198685	351970	274706	174014	241644	142116	185030	151226	261458	304446	359393	208518	298944	0	318838	325788	219952	209264	201612	252246	163826	293788	279740	237684	213480	0	200204	399368	Phytochemical	0.41379312	1.2413793	0.0
22	C29 H36 O12	577.22797	577.22876	0.083032556	577.228	121261	105974	101870	112233	94556	84527	46906	93741	118755	301607	110853	52161	150690	62046	95213	68445	38731	158688	124748	228462	197453	113240	93120	95904	91152	104523	40905	176896	86843	70356	88469	94607	97886	78747	333553	73969	114512	68704	41872	148525	78973	52449	0	0	0	156414	81624	0	77061	73473	111580	105593	83516	241	160239	89152	57343	83208	90527	32685	84291	91094	176452	122416	54856	99172	66348	45917	101185	266149	138968	85691	72928	73607	43181	70533	0	69772	102494	55854	90223	84325	58810	87421	103736	71119	84533	47080	60655	48736	98429	112384	120580	68520	125547	0	106224	104600	88434	86656	71924	83571	54012	92899	93549	79265	81175	0	66513	164862	Phytochemical	0.41379312	1.2413793	0.0
14	C29 H36 O12	577.22797	577.22894	0.17976254	577.228	25242	28197	30488	24466	11422	9518	24387	24877	14790	31801	27186	18679	11652	4669	21043	20436	20775	6730	17240	29511	24279	26256	16831	31459	16252	27482	20880	13177	16562	21717	22217	22838	16704	14659	36426	24189	17359	22332	26145	25722	24943	12049	0	0	0	18796	26262	0	23063	26222	23969	28547	11006	0	14166	11479	13219	30641	25246	17672	36456	15557	18709	15232	10377	13550	11796	24941	0	28373	34125	16419	16933	22341	20998	21190	0	18302	29535	0	22092	19671	19157	21487	17682	6212	20942	9559	12207	38884	12750	14907	31135	15591	13853	0	23053	17261	13165	16497	12000	27783	15899	25245	21974	21255	12605	0	20325	14958	Phytochemical	0.41379312	1.2413793	0.0
26	C29 H36 O12	577.22797	577.2288	0.1566465	577.228	13954	15177	15399	13019	16199	12571	3520	9689	23344	43470	16278	5425	28328	5963	10961	13233	0	27512	20708	42214	32109	19968	15931	12326	8957	20970	3738	10867	7606	6876	11805	9289	11504	9740	49342	10198	18205	6870	5641	18646	14570	6088	0	0	0	20684	20535	0	9953	9307	17685	12950	10945	0	26114	15656	9456	11676	11032	4315	8621	13089	33436	15662	6609	17465	10958	4430	17357	49051	24085	8111	10389	7570	0	7871	0	8229	17999	10892	13342	16123	10309	13119	18208	6876	11212	5627	8216	6251	13727	10528	20839	14699	20553	0	16313	13133	10927	18148	15724	9439	7331	13683	13527	8532	14167	0	8407	35426	Phytochemical	0.41379312	1.2413793	0.0
24	C29 H36 O12	577.22797	577.22876	0.13173032	577.228	48767	46057	41199	47337	48912	35719	16691	34521	57190	112726	72782	17980	87793	22894	37022	30457	10578	67293	61093	99453	82336	52329	36268	40676	31000	51065	14295	33184	29905	29341	27316	31677	35913	25931	139783	25930	49467	24536	18347	59216	30744	16622	0	0	0	61952	35559	0	30600	28180	49263	48370	35616	0	76176	41031	20750	29051	33173	12098	35817	45997	77825	50472	17968	58013	27935	17008	42148	104196	76539	31274	24873	24859	16427	20212	0	26258	41843	24182	34614	39040	28396	42647	45695	33201	34658	15824	26327	19721	42059	44993	48023	27744	46064	0	35453	43846	38963	41860	34900	28204	16965	32324	34245	30273	35108	0	24176	81726	Phytochemical	0.41379312	1.2413793	0.0
28	C29 H36 O12	577.22797	577.2289	0.24823079	577.2281	5730	4608	5008	5075	5387	2623	2101	2964	6881	17506	5233	1348	12710	2763	2297	3892	2766	7448	7696	14685	13855	5971	4281	5003	3444	8676	2286	5029	3161	2178	2667	2240	3025	2331	17981	2369	4824	2208	0	6651	6267	0	0	0	0	6111	3865	0	3544	3582	4415	3286	4177	0	9107	4697	1386	2870	2093	1207	3464	4757	8887	5854	1735	4657	4445	1548	6962	21144	12666	2449	2070	0	0	1762	0	2134	4573	3488	3883	3703	1985	4674	5010	2501	5177	2498	2701	2487	5477	6713	5004	4074	3893	0	3375	5359	3838	5109	5844	4335	0	4339	4131	2732	3151	0	3736	10327	Phytochemical	0.41379312	1.2413793	0.0
6	C23 H36 O13 N4	577.23517	577.23627	0.49300995	577.2355	807	0	1175	1934	506	6818	536	766	774	0	0	740	0	631	0	1970	0	0	1553	0	0	1433	773	797	0	0	0	0	1201	616	0	0	1138	1363	0	0	1716	592	0	0	0	1067	0	0	0	0	0	0	0	0	0	952	643	0	0	0	352	2019	0	0	0	0	0	0	0	855	911	0	0	0	0	953	809	0	0	691	0	648	0	0	0	0	0	0	0	0	0	550	719	1862	36453	39648	0	0	0	0	1193	0	0	0	0	1029	0	0	0	1390	0	0	1764	0	Peptide	0.5652174	1.5652174	0.17391305
12	C28 H36 O11 N2	577.2392	577.24023	0.22993253	577.2393	7084	6572	8678	8207	2733	5665	4561	10480	3557	9374	3168	4105	3886	0	6370	6031	5573	4991	6375	16416	14398	14936	7291	12193	7529	1750	4410	0	10067	7584	9520	7274	13942	7077	21099	7599	9159	6490	11688	12537	8973	3538	0	0	0	10785	3438	0	10659	6309	8342	5042	5574	0	4478	2425	4102	9749	0	8234	0	6673	4514	4677	1802	6907	4630	11043	0	6252	5582	10477	9457	7936	4731	7398	0	8035	6079	0	6281	4673	6950	7553	3457	3557	7632	5142	5477	12760	10077	9431	15205	6881	9184	0	6356	9835	5053	2489	1823	10394	5667	11337	0	8984	3146	0	5062	5840	Phytochemical	0.39285713	1.2857143	0.071428575
18	C28 H36 O11 N2	577.2392	577.24005	0.07852988	577.23926	20618	19603	18724	14896	9041	9629	11427	21935	12375	29658	10893	8860	12547	6006	14364	19162	12198	9479	21509	26077	18320	22310	11653	23775	23225	8535	14741	8411	24692	15563	20325	13481	18916	21512	35183	24421	26047	15695	19407	28503	13862	12243	0	0	0	17746	9885	0	22276	16349	19041	16733	10588	0	16299	6923	6109	24270	21196	7332	16390	16932	10629	13435	8029	6570	11296	9601	9404	9578	12205	19314	16861	15218	17279	10842	0	15782	11885	9966	15934	13865	15836	13909	6331	7416	16568	9700	12680	15725	24273	37715	41180	7254	13999	0	20055	21552	6886	5132	8873	18885	10753	27125	8063	23061	5840	0	13369	11925	Phytochemical	0.39285713	1.2857143	0.071428575
14	C28 H36 O11 N2	577.2392	577.2401	0.13523433	577.23926	16599	10452	9158	10319	4283	4265	13798	17843	5021	19584	6526	7610	4408	2652	10507	18242	10285	4887	9764	18703	11802	18885	8923	15110	14039	4446	7687	11223	13494	13925	8729	17293	18345	9024	28488	19506	15584	11312	12211	21155	11184	7047	0	0	0	13112	4095	0	13224	13902	13446	14053	4732	0	9209	3069	4055	14903	10875	9717	0	13994	5698	5945	3077	7847	10370	13092	0	8721	3168	11373	10376	10217	8513	10343	0	8521	10468	0	10211	6419	9979	9565	5320	6064	10691	5344	6413	18152	13552	18196	29910	10981	12953	0	16958	10847	3327	3759	3952	18211	6372	19508	0	15053	2966	0	12105	4969	Phytochemical	0.39285713	1.2857143	0.071428575
26	C33 H36 O9	577.2432	577.2439	-0.053934094	577.24316	9950	9242	8863	8217	9914	7786	0	9194	11340	16807	22361	5064	14000	10334	0	0	0	0	11879	27249	23849	4977	7745	5978	0	71343	0	24885	7115	6013	6325	5021	0	0	20159	0	7366	3648	0	14683	27380	0	0	0	0	8342	10490	0	6320	0	12446	9445	9102	0	11857	15546	5786	4729	0	4348	0	11843	12036	9589	8495	9860	6487	4753	69502	44825	59515	5477	0	0	0	3227	0	0	15886	0	7956	7106	5545	21595	17793	9215	8515	4393	4941	4576	4293	3886	0	9404	8786	0	10276	11378	9289	20890	22323	0	0	8319	0	6338	13702	0	0	8627	Phytochemical	0.27272728	1.0909091	0.0
24	C33 H36 O9	577.2432	577.24396	-0.051233035	577.24316	19448	19979	18503	19103	19426	8154	3803	11166	18363	27332	48459	7777	19874	12878	9660	14630	6182	17705	21687	43851	34759	13566	11796	13692	6816	106563	6309	44101	8315	5449	8704	6739	11212	10541	40956	9785	9972	5884	7628	36168	39245	9320	0	0	0	19985	22920	0	10277	10950	15787	16782	15935	0	18563	24898	9442	13465	6818	9168	17489	20490	19831	15751	7554	17991	12003	11916	90214	73443	109303	9280	6539	6930	5382	9633	0	7169	18133	14221	13691	12336	6532	25801	26853	14931	23127	9821	7253	8263	12610	12764	12664	17455	16391	0	18695	15348	18431	29841	28051	12306	5988	16114	13393	9575	16293	0	7654	17033	Phytochemical	0.27272728	1.0909091	0.0
6	C30 H40 O9 S1	577.2466	577.24774	0.31108302	577.24677	0	0	0	0	0	0	1261	0	488	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1072	0	0	0	0	0	0	0	0	0	0	0	2408	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	795	2101	0	0	0	0	0	0	27888	0	0	0	0	4361	0	0	0	0	0	0	0	0	552	999	0	0	0	0	0	0	0	0	0	0	0	1706	0	0	0	0	0	0	0	0	Organosulfur	0.3	1.3333334	0.0
26	C30 H40 O11	577.26434	577.2652	0.08496292	577.2644	33314	31042	24540	26653	29429	24352	12104	32518	33663	64245	26287	11995	56754	16898	26857	23473	12222	47324	44651	67492	61744	34026	31156	29537	28802	35887	9531	29175	25295	17038	26494	23503	29235	24558	86664	23738	43195	18615	9748	40853	19441	21381	0	0	0	28201	21036	0	26059	17667	30788	29232	23545	0	58582	38455	17206	28840	28584	7196	25591	23375	51914	31750	9778	36392	23815	12149	39380	79808	53693	27621	20720	17386	11267	19899	0	20759	28239	16365	24616	17913	18769	23356	34439	20249	23119	12453	18216	15983	32379	28283	38363	16820	27247	0	27301	26732	21362	33595	28270	22526	16867	33522	11492	18537	24480	0	20743	49369	Lipid	0.36666667	1.3333334	0.0
24	C30 H40 O11	577.26434	577.26514	0.061407283	577.2644	99361	88167	98630	90147	87001	73017	39615	89310	111307	220997	92177	41779	144435	48119	83118	70627	37464	131665	146421	207771	161553	102355	80311	88245	88159	104139	37931	86525	92231	70456	83131	81059	92678	65496	277196	81780	124888	62730	42560	128928	58753	47918	0	0	0	106440	51278	0	80383	70223	90242	86560	65879	0	153097	84462	48722	92566	95880	28361	89991	76013	132520	105453	40371	104756	57971	40838	95729	219829	114992	75066	64878	76093	34222	67972	0	65679	83641	36534	76544	52833	59887	72887	87378	67912	78554	40953	62440	43496	102307	120237	112600	55360	92564	0	92798	88998	70744	70835	80627	78754	44946	104799	51439	76337	75542	0	56035	140750	Lipid	0.36666667	1.3333334	0.0
28	C30 H40 O11	577.26434	577.26514	0.1325262	577.2644	6404	5309	6871	6959	6273	3641	3508	4503	8282	19045	5957	3323	13219	3051	2758	4160	3257	8093	10715	12107	12952	7182	4944	5245	4364	11836	3619	7601	4784	5546	3599	4070	5725	4057	19969	4422	8194	2937	2553	7856	5865	3422	0	0	0	6236	2579	0	4381	4666	6965	6125	5163	0	10714	8607	2351	7045	4255	1747	7475	5978	9350	8733	2832	9077	3987	3044	9561	26870	16323	4621	3837	0	0	4121	0	2604	7204	2396	4929	3550	4191	5586	7186	5728	7468	3169	3491	3235	6321	9781	7010	4282	6378	0	6540	7778	4595	7398	6487	5860	2022	5994	2952	4164	4286	0	2264	8521	Lipid	0.36666667	1.3333334	0.0
22	C30 H40 O11	577.26434	577.26514	0.07176534	577.2644	158987	148667	145445	161136	134369	101606	94308	159103	175816	342119	156595	81208	178606	86048	143766	149963	77890	183333	194828	321746	260377	169530	147176	158963	146474	172051	76123	161871	152747	126501	143190	161823	170796	119229	386669	137169	182153	120258	92778	211002	111400	80885	0	0	0	160887	76547	0	140473	122933	160642	154378	115805	0	228537	131420	81215	156379	154099	61569	144446	138430	216836	158971	75763	144817	100824	90236	141720	339829	212501	126776	116492	138715	78723	125830	0	115118	164163	73901	130287	88622	111916	128248	149656	107534	144586	76070	95491	92750	178660	210416	189544	90168	163372	0	149272	157562	115200	127563	126440	166661	97836	147299	97380	130932	112396	0	107377	198887	Lipid	0.36666667	1.3333334	0.0
16	C29 H40 O10 N2	577.2756	577.27655	0.43184933	577.2758	8226	7540	4660	4792	4278	4162	4860	11064	0	3328	5694	8968	0	0	7206	13132	8288	6594	7158	5594	4106	9142	5216	9084	7014	0	7556	5334	11966	10636	10026	16748	15916	7684	3868	10728	11334	8242	11544	6724	6782	5330	0	0	0	7384	0	0	18862	7918	5928	8888	0	0	1776	3204	3618	16300	3940	4364	18274	4868	0	0	3260	3030	4480	8838	0	0	0	10186	10320	6398	7544	9086	0	6434	6382	0	3470	0	5408	3852	0	2384	7822	8162	1109	0	26948	7112	0	6372	4628	0	5186	3474	0	2502	0	7524	7766	8450	0	0	3258	0	9296	0	Lipid	0.3448276	1.3793104	0.06896552
12	C32 H41 O8 Na1	577.27716	577.2771	-0.94102013	577.2767	7962	0	6585	0	0	3711	0	14037	3681	4542	0	5625	4857	5523	4578	10254	15636	0	5172	9462	8475	0	7467	13476	10752	0	7404	0	15888	6912	10458	10281	8727	15060	10692	6921	11238	5124	14394	8697	0	2925	0	0	0	0	0	0	11148	6216	4491	6720	6636	0	4410	0	0	17367	0	0	0	0	0	0	0	4353	3867	15681	0	4065	0	9633	11691	15531	8709	8607	0	9921	4740	0	3738	2790	2997	8283	0	2616	4950	3084	3510	20601	22172	16002	17964	0	6084	0	7878	9321	0	0	0	6198	4680	0	0	11619	0	0	5568	0	Phytochemical	0.25	1.28125	0.0
24	C34 H40 O8	577.2796	577.28033	-0.017993312	577.2796	21744	19547	19552	22721	17190	6939	9421	20852	18149	16947	39255	11379	14654	14601	17548	27276	21441	13992	18942	30368	34799	13504	16924	24442	14743	84143	8596	33922	17595	16370	17184	18200	19471	13476	29162	21704	18397	16176	22923	28954	37167	11625	0	0	0	16146	18766	0	18146	19409	22039	19853	11656	0	20733	20895	12596	21573	9893	17596	22758	23386	16390	12720	7102	12416	16838	19356	66000	58281	81661	15819	17763	14437	10272	16282	0	11443	26708	17619	20283	11020	13675	28760	24910	14301	27091	10592	12916	23537	13405	16679	25717	16215	15800	0	16447	18840	15632	22903	27137	25404	10589	23699	12568	21486	16004	0	19908	8614	Phytochemical	0.23529412	1.1764706	0.0
26	C34 H40 O8	577.2796	577.2804	-0.02118224	577.2796	13102	17852	15785	15530	10966	8731	3893	15693	17461	16925	29324	9888	13992	11483	14455	15465	15346	13233	18636	30164	34884	13317	12589	21664	12520	80432	5484	33902	16553	14373	14765	10430	12442	11852	21317	14566	14637	8740	15331	22457	27095	9350	0	0	0	11844	7627	0	12548	14962	15021	13364	12626	0	22543	25859	10556	16094	10326	6967	21204	16855	14643	12919	6909	17218	13172	13195	75515	52053	62796	13284	14793	16013	13295	10285	0	13273	20707	12230	17392	9864	10941	29150	29265	10874	22708	7735	11471	11414	8328	8469	19259	11980	11207	0	16630	15423	13031	31061	30206	18974	7804	18120	7781	14376	17830	0	12734	7023	Phytochemical	0.23529412	1.1764706	0.0
28	C34 H40 O8	577.2796	577.2802	-0.06669473	577.27954	3873	2936	3070	3462	4095	1343	1684	0	3979	2578	5300	1389	4036	3009	0	0	0	0	4134	3984	5116	2150	3011	3569	2528	17709	1790	5814	0	0	2474	2522	4491	3617	2855	3712	3246	1918	2968	3989	4945	0	0	0	0	0	0	0	0	0	2869	3063	0	0	5178	5948	2475	3432	0	1500	2737	2304	2081	3042	1533	4523	1942	2736	20498	8873	17125	2591	2044	2773	0	0	0	2015	5813	4159	1818	2185	2437	4725	7593	0	5796	1907	2537	3000	2224	0	3647	2358	2585	0	3821	0	2595	11125	12117	4139	0	5163	0	3420	4031	0	0	1353	Phytochemical	0.23529412	1.1764706	0.0
4	C31 H44 O8 S1	577.28296	577.28406	0.020946842	577.28296	0	0	0	0	0	946	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3597	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	44801	0	0	0	0	0	0	0	0	0	0	8382	1619	0	1179	0	0	439	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.2580645	1.4193548	0.0
24	C31 H44 O10	577.3007	577.30145	0.016042992	577.3007	104059	87656	83064	84237	81211	63867	60559	103454	107850	130581	89914	47042	127347	48908	83941	93676	49245	101255	146146	165910	119717	81977	78394	82980	85920	92597	48260	90355	120540	97214	99225	110860	125926	82871	197070	106708	133194	74588	63318	98169	48511	55902	2302	0	0	78626	37397	0	116430	82982	90151	88595	73825	0	169086	90876	51477	111446	88619	32059	97785	60674	129822	101073	48306	95060	70903	51796	71202	170421	73333	83480	83169	86986	63839	87718	0	73909	84990	43015	76137	51919	74663	72877	100080	74321	86752	44570	76008	57106	118009	122827	124046	55822	74414	0	93210	89420	61078	84633	87845	111008	56668	120545	50473	78299	78771	0	61644	106541	Lipid	0.32258064	1.4193548	0.0
26	C31 H44 O10	577.3007	577.3016	0.029307557	577.3007	42429	48483	47808	48155	38350	37841	22164	73655	58720	66205	39304	21958	71347	30016	53074	47782	24974	68838	94796	92589	74694	53071	37072	45454	61566	45703	25873	46267	63074	48410	63293	50574	65049	43278	106958	59518	79609	36694	22370	55622	24432	29369	0	0	0	46060	16851	0	65197	49773	43720	45926	38632	0	98168	52933	27596	54469	54046	10846	57424	39472	75702	51058	23755	50715	44092	22445	42860	98775	49595	61500	42158	46994	32896	42813	0	35248	47120	16462	34836	20400	47030	38993	54524	35352	43614	23082	41099	22441	59016	65630	71181	23767	41460	0	51835	59352	32667	48779	51646	63412	27253	53054	28537	38060	42263	0	37311	56451	Lipid	0.32258064	1.4193548	0.0
18	C31 H44 O10	577.3007	577.30164	0.1034094	577.3008	11598	9417	10791	12971	7327	2196	9942	12874	8556	5345	5225	7470	3888	4860	16498	15207	12080	6063	12413	7648	6850	6151	8327	11781	12812	6963	15455	4903	15740	15222	12673	9213	17477	5644	9249	15555	10516	12942	28259	3331	3304	5384	0	0	0	5654	5155	0	13349	10476	11167	10835	6872	0	14163	9825	5515	14241	7753	5606	8167	3158	6245	11168	4538	5075	7871	21912	3120	7356	5340	5855	7043	14416	19316	17414	0	6100	14575	7662	14081	3132	10645	6747	8773	10396	17895	3467	4141	16322	14488	7276	12056	3769	2365	0	6979	13022	6942	9975	11817	14388	7916	10926	1556	7366	9464	0	12183	8210	Lipid	0.32258064	1.4193548	0.0
26	C35 H44 O7	577.316	577.3168	-0.022853604	577.316	15228	12738	14564	13751	6796	4843	9906	18300	10897	5354	16347	11867	6114	8660	15861	28208	26016	0	13144	17788	9169	12132	15051	21486	14317	44988	13792	16104	21831	27108	16504	20132	21356	12157	5807	23157	16077	14127	19777	15440	22713	8471	0	0	0	9536	7209	0	16091	24368	14228	13996	9982	0	11423	19461	13922	20101	11091	11444	20234	10931	4940	9083	8802	7941	10371	23324	30589	21078	27703	14198	12308	16961	15436	16044	0	12900	22079	11143	16836	8321	15937	15539	17064	13171	21426	9205	8946	21417	6718	7174	16504	9296	8265	0	13316	12926	9525	36218	33434	28727	12052	27945	0	15653	12012	0	16254	4732	Phytochemical	0.2	1.2571429	0.0
22	C35 H44 O7	577.316	577.3167	0.019282363	577.316	0	4372	3973	3572	0	0	5696	5554	2680	0	3307	4418	0	0	5770	5013	11093	0	1827	1902	0	1838	3333	4452	5898	2778	4531	0	2499	3288	3710	0	6255	2417	0	3666	4384	5085	14052	3161	2759	0	0	0	0	1429	1234	0	7224	4877	3329	1540	0	0	1597	1513	4005	3810	3116	8030	2773	1682	0	1515	0	0	1584	20036	0	2990	5416	1591	2805	4263	9284	5749	0	0	5001	2348	5501	1048	4881	1906	1995	2247	5604	2978	2588	11419	4132	5260	2178	1807	2421	0	4159	2033	1605	4201	4105	6190	4802	4858	0	5360	1183	0	3354	0	Phytochemical	0.2	1.2571429	0.0
24	C35 H44 O7	577.316	577.3167	-0.031224143	577.316	9561	10941	9652	7028	3807	2651	9054	13255	7895	6227	9381	10156	3303	5203	13213	17546	29268	5285	6458	8635	6763	6862	7436	15210	10549	15006	10522	10381	11220	21169	12361	18361	14647	8779	6028	18735	13737	12601	24514	8365	18341	6685	0	0	0	4995	5897	0	11785	16275	11131	14229	8093	0	10277	11951	6686	11726	6225	13187	14897	5425	4600	6569	6235	3292	8359	30265	16921	12191	22195	8437	8314	13796	16457	13200	0	12337	20670	10403	12716	5886	10490	11979	7722	7658	14121	5934	7169	22719	10765	4851	16440	5268	4616	0	11638	12981	6647	16674	15045	21130	9147	20043	4797	16385	7101	0	15184	3123	Phytochemical	0.2	1.2571429	0.0
24	C32 H48 O9	577.3371	577.3378	-0.015529314	577.3371	32135	28591	27508	26264	17011	16087	40631	29788	26804	21741	19010	17730	20672	14791	23485	36829	49900	18423	45882	25036	18325	12108	14663	19169	25091	18660	33747	18694	60457	49018	35671	42796	48907	32183	22138	43479	50285	19227	61133	19097	8466	18094	0	0	0	12180	10526	0	61057	22449	28019	26334	14966	0	39469	27908	15967	42479	20802	11479	26577	10022	23618	24386	16402	23640	20357	63479	9125	21453	16438	21050	37999	33288	37591	42352	0	20514	24570	12354	16846	8413	29881	18879	29686	18423	31948	12563	29997	25474	29227	34483	28785	6754	13338	0	22327	24118	14635	35439	40126	67593	19806	57209	9014	26030	23607	0	20876	18147	Lipid	0.28125	1.5	0.0
28	C32 H48 O9	577.3371	577.3379	0.07569766	577.33716	10355	7819	10679	9606	4711	2602	15301	7537	6085	4550	6804	2054	5968	8256	8408	6253	42157	8933	7829	8849	4264	4003	4263	3736	11837	4008	34620	8662	26118	9693	8755	9133	39617	6992	8025	12497	14856	11018	48297	6103	2635	15471	0	0	0	4315	0	0	9016	4985	7410	8685	3966	0	11136	10926	5831	11924	8898	2852	7238	4121	5197	5892	2681	6415	5175	81071	3085	7493	5269	3644	54451	7991	5706	6816	0	3999	9287	2579	4836	2494	9052	5132	9895	6226	10682	1774	3392	11800	10655	13899	12893	1885	0	0	10748	9502	2835	15672	10556	62876	3051	7540	3288	9913	6371	0	8231	5157	Lipid	0.28125	1.5	0.0
22	C32 H48 O9	577.3371	577.3379	0.02705857	577.3371	7711	7939	10155	7724	4495	3936	11280	8064	6565	2476	5530	5425	7321	5573	7742	13818	19172	8310	5676	7043	3285	1756	6640	4659	6378	3696	19930	3934	14396	13818	7435	11231	19852	11173	4301	14343	14132	8265	23630	2347	0	8344	0	0	0	1853	3741	0	13854	8269	12021	8127	5450	0	17778	13274	5917	13109	6531	5719	10715	1400	4100	10220	5634	4496	4903	25012	2300	3131	2353	4012	12744	9062	16868	10828	0	6788	14457	5941	5335	3220	12761	3688	13943	9732	11902	5927	5541	14041	5976	11379	6451	2322	0	0	9528	9329	5248	14596	14939	21803	6758	6744	0	12050	7394	0	8079	7985	Lipid	0.28125	1.5	0.0
26	C32 H48 O9	577.3371	577.3379	-0.001717957	577.3371	34305	30242	38335	31005	20747	20098	34489	84363	25887	20076	30658	55845	26845	25048	28384	75679	51065	24392	50561	40138	20340	22736	17808	19523	36172	24164	46963	26232	131110	214401	111332	75591	66188	59247	33414	95310	60315	25687	55926	24450	8124	33346	0	0	0	17305	8641	0	146681	95097	35330	36180	21800	0	51037	37957	23117	60852	29843	11728	43765	13297	28943	29311	25534	27603	29357	57194	13896	33272	19056	82335	77760	70419	83095	89493	0	19447	27412	13219	13540	12111	37092	23286	31168	24105	26486	12411	26231	24744	43918	48817	36048	13748	12371	0	33959	34425	17189	40719	30619	78757	59884	41064	15059	33287	21933	0	25763	28997	Lipid	0.28125	1.5	0.0
12	C25 H52 O14	577.34296	577.3442	-0.080571	577.34296	9566	10032	9864	10504	0	0	0	0	0	128419	111075	0	0	0	0	0	2468	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11446	0	0	0	0	12303	7281	0	0	0	0	3299	14583	0	0	0	12271	20164	0	0	0	0	0	0	202373	0	0	25610	0	1579	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1396	0	0	0	0	0	0	0	13742	3082	0	23849	1310	0	8308	11854	0	0	0	0	0	41944	262406	0	0	0	0	0	Lipid	0.56	2.08	0.0
14	C25 H52 O14	577.34296	577.3443	0.21860288	577.3431	2492	3509	3193	3708	0	0	0	0	0	35143	43780	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1525	0	0	0	0	0	0	1492	6677	0	0	0	2081	3829	0	0	0	0	0	0	150843	0	0	12929	0	0	0	0	0	2437	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1995	0	0	0	0	0	0	0	25202	0	0	4570	0	0	2968	0	0	0	0	0	0	22245	197195	0	0	0	0	0	Lipid	0.56	2.08	0.0
26	C33 H52 O8	577.3735	577.374	0.07963613	577.37354	2749	3806	4246	3238	0	0	26315	0	3301	0	0	0	0	2568	0	0	8820	0	0	0	0	0	0	0	6608	0	22646	2806	0	0	0	6064	4473	0	0	5361	3115	0	12389	0	2296	0	0	0	0	0	0	0	3729	0	2837	2501	0	0	6032	5663	0	3290	0	3170	0	0	2319	0	3592	0	5700	12810	0	0	0	0	2971	0	0	4317	0	0	3615	0	0	0	5574	4297	0	0	8473	0	2487	13620	8069	3616	9081	0	0	0	3834	0	0	8712	8813	4518	0	5889	0	2909	0	0	2778	0	Lipid	0.24242423	1.5757576	0.0
20	C24 H19 O16 N1	578.07764	578.07855	0.1262988	578.07776	0	3028	0	4780	10414	4288	0	0	13590	0	0	0	30090	4118	3076	0	0	13992	15312	0	5274	5926	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2834	0	0	0	3882	0	0	0	4290	21528	1702	0	0	0	3422	6006	0	18860	12502	5186	0	0	0	0	0	15544	23798	4290	15132	5584	0	0	0	0	0	0	0	0	0	0	0	0	11986	0	4512	0	0	13346	5318	0	3118	2730	0	0	0	0	17072	6036	0	0	3382	16548	15010	18466	0	0	0	13300	0	6228	0	0	19848	Phytochemical	0.6666667	0.7916667	0.041666668
28	C24 H19 O16 N1	578.07764	578.07855	0.24809295	578.0778	4029	3276	3544	5902	7778	4605	0	0	11480	2719	0	0	21958	3076	0	0	0	12505	9848	2533	7260	8675	0	0	0	0	0	0	0	0	0	0	1088	0	4652	0	901	0	0	1487	3763	0	0	0	0	5972	14035	0	0	0	5101	3513	7613	0	9265	10208	2357	0	0	0	0	1858	19924	8731	3344	8685	2639	0	0	0	1647	0	0	0	0	0	0	0	4754	5958	1531	5528	0	0	18173	4010	1615	2656	1894	0	0	0	0	8376	5553	0	5717	5215	7661	7716	9272	0	0	0	14012	2833	9016	0	0	22571	Phytochemical	0.6666667	0.7916667	0.041666668
18	C25 H23 O15 N1	578.1141	578.11505	0.21036854	578.1142	11513	15146	8988	11997	18338	9479	1660	0	19354	15351	4976	1900	45025	3950	2368	2522	0	25345	21869	8850	20761	41220	6341	2682	0	0	1274	1690	0	1351	1663	0	3573	0	13367	0	2090	3319	1379	7244	11880	5470	0	0	0	31430	43577	0	0	0	10073	11571	8543	0	30150	21161	8107	3117	2575	3050	0	7512	46843	20772	9877	23036	6085	2639	2761	2533	2985	0	0	0	1337	0	0	1204	8522	28282	5101	25200	0	2561	31886	13973	5202	4302	7601	2507	0	2146	4101	38382	35534	0	7588	16244	16596	20018	23812	3152	2403	2366	33854	0	26605	0	0	39214	Phytochemical	0.6	0.92	0.04
28	C25 H23 O15 N1	578.1141	578.115	0.17448856	578.11414	4196	2421	3643	2986	5340	5511	0	0	6001	8993	2408	0	18264	1781	0	0	0	13979	9557	6847	9141	8740	2869	0	0	0	0	1286	0	0	0	0	0	0	11415	0	1007	1299	0	4355	3720	0	0	0	0	15579	21936	0	0	0	5284	3661	3472	0	9445	7427	0	0	989	0	0	4169	15283	8130	2613	7117	3355	0	2799	4141	3424	0	0	0	0	0	0	0	1889	6070	1397	11009	0	1387	7772	2894	1647	1437	1530	0	0	1406	2623	11505	10849	0	4677	4650	5582	6700	6391	0	0	0	14395	1745	6741	0	0	17047	Phytochemical	0.6	0.92	0.04
22	C25 H23 O15 N1	578.1141	578.11505	0.15073252	578.11414	6940	5992	5823	7156	15381	7139	1490	0	15331	8763	3870	1458	25499	5832	2400	1442	0	20654	13332	3205	14300	18307	5020	1761	1438	1689	0	1935	0	0	0	0	2199	0	14241	0	3032	1750	0	5322	5798	2154	0	0	357	21750	43035	0	0	0	4966	5057	7060	0	22062	13661	3493	2790	0	0	2234	5919	25666	11206	3743	12849	5328	0	4321	0	1787	0	0	0	0	0	388	1411	3827	11124	4370	24765	0	3265	18758	8432	3206	3152	0	0	0	3303	1847	20254	29357	0	4193	6136	14670	12106	12454	1710	1128	1224	30987	1525	13762	0	0	24985	Phytochemical	0.6	0.92	0.04
26	C25 H23 O15 N1	578.1141	578.1149	0.14013092	578.11414	4160	6718	3721	3926	8610	6992	0	0	7682	7824	2760	0	21523	2854	0	0	0	11889	9122	7567	12464	12447	0	0	0	0	0	0	0	0	0	0	0	0	9570	0	1853	0	0	4553	6000	0	0	0	0	14507	19129	0	0	0	3833	4234	5204	0	13772	6179	0	0	0	0	0	4076	17461	11042	2311	8462	0	0	0	2710	0	0	0	0	0	0	0	0	2013	6573	2971	12260	0	0	10373	0	0	0	0	0	0	2477	0	12957	18504	0	4091	0	6192	5334	7007	0	0	0	17022	0	0	0	0	19280	Phytochemical	0.6	0.92	0.04
20	C25 H23 O15 N1	578.1141	578.11505	0.26139268	578.1142	10374	8451	7541	5724	12816	7838	0	1897	20273	11966	7000	0	40499	6559	2881	3008	1829	19531	17373	9075	21153	33271	6674	0	1970	0	1149	0	0	0	0	0	0	0	16056	0	3045	1641	1655	4434	10053	2788	405	0	0	25721	53365	475	0	0	5795	12627	10973	0	23032	21348	6525	0	2503	2298	0	8286	38606	20243	8322	19091	5424	0	1371	0	1916	0	0	0	1600	0	385	2483	4678	24221	3749	26644	1133	0	24865	9187	5268	4786	5774	0	0	2063	3998	33442	23194	0	6538	6111	18416	18463	21266	1940	1361	1925	41705	0	17304	0	1933	34179	Phytochemical	0.6	0.92	0.04
24	C25 H23 O15 N1	578.1141	578.11487	0.08873883	578.1141	6069	4339	2753	5764	7718	5208	0	0	11621	7965	2494	894	27654	1734	0	1281	0	14185	13029	4581	11147	11966	3692	1243	0	0	0	0	0	0	0	0	1501	0	7041	0	0	1287	0	2969	4557	0	0	0	0	13098	35974	0	0	0	4983	5780	5560	0	13100	10678	2824	0	1782	0	2127	4439	21337	7489	3715	11571	2452	0	1723	2201	2903	0	0	0	0	0	0	1722	2325	7014	4027	15250	997	1872	14311	5265	1916	2167	3137	0	0	1976	0	16694	20598	0	4976	5616	6017	7564	8751	0	949	1571	23148	0	10017	0	0	20662	Phytochemical	0.6	0.92	0.04
18	C22 H27 O15 N1 S1	578.11743	578.11804	-0.052180767	578.1174	11513	15146	8988	11997	18338	9479	1660	0	19354	15351	4976	1900	45025	3950	3747	4183	0	25345	21869	8850	20761	41220	6341	4469	0	0	1274	1690	0	1351	1663	0	3573	0	17173	0	2090	3319	1379	7244	11880	5470	0	0	0	31430	43577	0	0	0	10073	11571	8543	0	30150	21161	8107	3117	2575	3050	0	7512	46843	20772	9877	23036	6085	2639	2761	2533	2985	0	0	0	1337	0	0	1204	8522	28282	5101	25200	1489	2561	31886	13973	5202	4302	7601	2507	0	2146	4101	38382	35534	0	7588	16244	16596	20018	23812	3152	2403	2366	33854	0	26605	0	0	39214	Organosulfur	0.6818182	1.2272727	0.045454547
8	C24 H23 O14 N3	578.1253	578.1265	-0.041646034	578.12524	0	2076	0	0	9364	0	0	0	11540	3420	0	0	19319	0	0	0	0	14265	0	0	0	9590	5180	0	0	0	0	0	0	0	0	0	0	0	7406	0	0	0	0	0	6544	0	0	0	0	0	0	0	0	0	0	0	0	0	13386	16266	3822	0	0	0	0	0	22550	10485	0	10167	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1008	0	0	16691	0	6328	5432	4648	0	0	0	0	0	0	0	1099	0	0	14207	23926	0	0	0	0	0	0	0	0	16365	Phytochemical	0.5833333	0.9583333	0.125
18	C26 H27 O14 N1	578.15045	578.15137	0.13923869	578.1505	53050	50192	40777	56397	70007	42588	14596	19064	86471	162386	70688	19784	150236	30852	29783	18388	9606	102615	99380	122965	120814	155542	34751	29323	17628	29183	12584	35216	10482	12477	22812	11089	23459	0	187873	11172	30338	18858	10282	101311	71166	26686	1864	0	0	204471	195056	0	13976	8762	49395	71004	46466	0	126806	80582	23630	20236	18877	10321	24954	65995	130061	91934	23982	88356	34476	9166	32951	44674	40801	12129	15163	14763	8521	0	0	16532	37501	98934	27852	150907	18084	49454	95614	50702	32715	15086	25837	19348	17082	38339	38712	114657	181459	0	62811	71988	64138	72163	87262	19219	13453	37961	158154	28527	61214	0	16012	113739	Phytochemical	0.53846157	1.0384616	0.038461536
16	C26 H27 O14 N1	578.15045	578.1514	0.21400465	578.1506	23362	27749	19125	22221	32676	15684	5913	6525	34777	65328	28281	4959	59666	10561	12836	10477	6382	42896	42957	60954	60023	64474	14111	12063	7444	9140	6019	9542	5288	4809	6140	4348	10040	3820	94763	6410	16420	9175	7214	38452	34445	11762	396	0	0	68066	78352	0	10679	7384	26342	20105	19254	0	53405	26392	10660	13078	9302	7569	10906	29546	53575	27909	11163	36776	12032	5263	19401	15108	18433	9736	4664	2746	6576	10565	0	6976	16093	39987	12061	48423	7521	20532	35830	17102	11598	11885	11341	0	7206	14629	0	49194	80761	0	21334	24692	27343	21118	30742	11182	5909	13629	69607	0	34053	0	7399	48909	Phytochemical	0.53846157	1.0384616	0.038461536
24	C26 H27 O14 N1	578.15045	578.1513	0.18234472	578.1505	5227	4836	5228	7318	10527	8201	0	0	11424	18344	4942	1283	19189	2173	2950	1459	0	11847	14071	15066	16824	17492	4315	1472	1528	3510	1714	1533	0	0	0	0	2344	1780	18946	1418	1587	2246	1199	9540	5583	0	0	0	0	33346	34792	0	0	0	6145	4919	5515	0	14906	7305	4796	0	0	1649	2991	9814	20080	14364	2722	8723	1778	0	5629	6709	6701	1901	0	0	0	0	0	0	5053	8961	3293	22089	1260	4573	11868	9128	3030	1214	2552	0	1847	3410	3416	15933	22861	0	8482	5849	9040	8981	7844	0	0	1884	25272	2230	6569	0	2060	20700	Phytochemical	0.53846157	1.0384616	0.038461536
12	C26 H27 O14 N1	578.15045	578.15155	0.30867028	578.15063	7581	8119	8154	8409	10514	4241	2462	2748	11135	19855	19600	4811	23211	4706	4084	3246	1975	12884	18965	16623	27272	28053	6226	3476	1557	5705	1926	0	3173	1585	3556	3554	5644	1971	38689	1024	3204	4764	6063	14616	20161	2962	0	0	0	21032	43354	0	3638	3366	7446	9413	6650	0	15224	11561	5282	6840	0	0	17277	7420	21179	14838	3569	11995	5602	5633	0	6498	9726	2313	2225	1846	4208	3973	0	3083	7669	23512	4311	17078	3805	6634	13456	6351	7213	3511	4048	0	0	4362	5068	29892	22141	0	5503	10559	10812	10452	11246	3309	3944	0	22359	3450	10744	0	2446	17245	Phytochemical	0.53846157	1.0384616	0.038461536
26	C26 H27 O14 N1	578.15045	578.15137	0.09524902	578.1505	3083	0	5258	0	5322	4017	0	0	6890	12096	2366	0	18068	2320	0	0	0	8995	6074	11937	13735	12745	0	0	0	0	0	0	0	0	0	0	1616	0	15657	0	0	0	0	6173	4042	0	0	0	0	21736	26278	0	0	0	2518	2162	4525	0	5884	6360	0	0	0	0	0	3646	11314	5052	0	5115	0	0	0	6135	4213	0	0	0	0	0	0	0	3887	0	0	15304	0	3897	7503	0	0	0	0	1429	0	1993	0	8741	13282	0	2919	0	3871	4138	0	0	0	0	18924	0	8440	0	0	11665	Phytochemical	0.53846157	1.0384616	0.038461536
14	C26 H27 O14 N1	578.15045	578.1514	0.23605658	578.1506	18571	18903	14401	19107	17981	11084	3694	7056	26445	51303	26967	5397	37251	5090	8799	6502	6742	27435	23838	36768	47544	56383	11710	12329	6486	10163	5566	10029	7349	7146	5611	11070	7881	4509	57545	5953	5006	5681	5336	20863	33204	7134	0	0	0	47614	65554	0	6462	5029	18295	13734	16102	0	35456	20058	8042	6417	5956	6316	0	24188	42646	22054	7245	27024	12889	4482	14030	14722	9533	6757	4278	4092	3690	8660	0	5947	11946	30765	8900	36174	2771	12551	26714	9687	11216	4546	8331	6448	6747	14681	8866	52063	49031	0	20721	22018	20081	24886	21539	6292	5272	10544	59417	8007	17715	0	5589	32846	Phytochemical	0.53846157	1.0384616	0.038461536
22	C26 H27 O14 N1	578.15045	578.15137	0.18328814	578.1505	8932	9020	14182	10933	17221	16012	1477	2783	22030	27329	10398	1782	32310	5732	4714	3958	1987	39333	16630	26255	25753	22551	7574	4556	3887	8468	3400	3259	2537	1461	3240	0	4758	2492	32794	1951	3091	2922	1840	25331	9916	5589	0	0	0	56416	60645	0	1924	2371	8300	8099	9859	337	25903	18221	7131	4038	3931	2644	2664	19969	26479	19744	5008	14794	7639	1336	5450	12709	6795	4125	2142	1192	2348	1814	0	2641	8659	15841	5244	39654	3881	9306	20982	13892	6602	3392	3377	2245	7225	7559	4341	23681	36751	0	11402	14698	17829	10392	19835	3076	1306	3373	46398	3293	16984	0	3749	34187	Phytochemical	0.53846157	1.0384616	0.038461536
22	C27 H31 O13 N1	578.1868	578.1877	0.15421467	578.1869	213243	142921	182210	189023	179847	106167	36916	84339	217020	588905	319786	60654	199145	11084	66566	101141	58051	208748	153280	501904	444824	309656	118718	136391	56735	335943	24456	245763	109766	61177	89650	8438	118732	75678	761411	77236	101238	9902	65065	330846	111926	92039	0	0	0	541628	411432	0	64177	83141	213197	167210	108953	0	259619	169743	78247	96631	66475	21048	28946	211204	294063	285614	49809	161754	117090	4139	321311	541282	417587	88214	73285	79292	55229	65109	0	56321	159180	77439	107883	377339	64590	236257	240412	99102	203100	70896	79664	60064	106223	110695	127005	252870	234921	0	143196	144111	220106	140631	185037	112095	66567	140750	317401	123636	149879	0	45652	364138	Phytochemical	0.4814815	1.1481482	0.037037037
10	C27 H31 O13 N1	578.1868	578.1879	0.26012585	578.18695	7837	8071	3798	5799	3682	2227	3463	3539	5846	21623	8876	2755	8526	0	4282	6275	4170	5234	6305	13297	12604	14799	5091	5204	1510	6818	2168	0	4626	2960	3237	3910	6011	2688	28175	2267	6188	3224	3062	8642	10824	1994	0	0	0	11315	12465	0	3155	2522	5943	6947	2806	0	6260	3848	2129	6582	3834	3101	0	9248	7386	5545	1172	6233	3514	4362	0	3585	4471	3287	5025	2868	4166	3219	0	3161	4336	4914	4270	7138	3618	5257	5270	3498	3247	3330	2607	6077	0	5684	7371	11103	17533	0	6356	7261	4748	4358	4806	4995	2940	4189	0	4092	3624	0	3595	7204	Phytochemical	0.4814815	1.1481482	0.037037037
12	C27 H31 O13 N1	578.1868	578.18787	0.23986927	578.18695	13907	14336	11879	17004	12571	6245	11652	11942	12379	37359	9744	6774	18244	2968	5353	8364	5684	10035	13992	34272	33032	26759	9397	9200	6416	11192	3208	17704	5967	9546	13866	10096	13445	7620	61534	10784	7717	9287	11567	29084	27155	5012	0	0	0	29143	29008	0	9264	9929	14643	8754	9836	0	17147	7816	7629	12468	9711	6995	16961	21716	17590	13395	4141	14366	8148	11349	0	14455	13831	7607	6423	7158	7028	8561	0	9325	13276	0	12576	20090	10112	16510	12457	5734	15425	5239	5153	14289	8130	15474	23696	17382	30893	0	13022	14461	13691	7679	8480	5911	5425	12409	0	10919	9001	0	7668	19219	Phytochemical	0.4814815	1.1481482	0.037037037
24	C27 H31 O13 N1	578.1868	578.1877	0.10942369	578.1869	9093	8805	10525	9339	13126	10655	0	3935	15989	38305	9896	2951	22778	4385	5012	5572	2549	18984	14921	29743	22687	14488	6471	5319	2964	10257	1646	5313	3172	1546	1788	1577	2413	3347	32432	4758	5754	2600	2063	18468	8845	2363	0	0	0	40314	34025	0	3195	1749	10303	9480	6679	0	16342	13904	3733	2931	4029	2856	2445	12134	23116	11275	2877	12621	4911	2148	12517	25473	14709	4567	2741	2199	2094	886	0	2087	6571	0	3821	21107	2256	7799	18835	7722	7799	3517	2143	0	6253	7027	6803	10479	23337	0	7968	10487	10269	12156	11936	3679	2518	4319	26736	3021	12147	0	2995	19343	Phytochemical	0.4814815	1.1481482	0.037037037
14	C27 H31 O13 N1	578.1868	578.1878	0.16317114	578.1869	32631	26909	25948	33338	18074	11322	14928	25086	21445	88266	35522	11151	38826	9980	16860	19860	13846	28662	31766	70603	64790	58806	15887	18250	12583	19629	11580	18589	18826	22819	15991	18191	16957	15121	94623	16213	21147	14278	16464	50237	47656	13556	0	0	0	61963	66220	0	19310	15546	24291	25754	15923	0	30335	18511	10779	18561	25564	13996	20827	40821	33162	26548	9573	20885	15750	14801	30305	33096	25274	18420	12719	21532	17035	17701	0	19077	18152	29649	18166	31383	17908	30174	23171	13179	18810	16649	15616	23904	19713	23650	28040	39242	49673	0	28113	29449	20116	20615	12052	21662	11292	23248	43449	14871	14100	0	14689	24131	Phytochemical	0.4814815	1.1481482	0.037037037
26	C27 H31 O13 N1	578.1868	578.18774	0.15590596	578.1869	5967	4521	5819	4214	7742	5195	0	0	8474	21106	5747	0	15961	0	0	0	0	8367	5110	10779	12815	10153	0	0	0	0	0	0	0	0	0	0	0	0	20178	0	0	0	0	9129	8070	0	0	0	0	19839	17465	0	0	0	5475	4718	5374	0	9018	6344	0	0	0	0	0	6911	14125	5586	4047	6483	0	0	0	15957	10676	0	0	0	0	0	0	0	4544	0	0	9669	2617	5517	7120	0	2284	0	0	0	2174	5540	0	5852	14385	0	5275	0	5875	3153	0	0	0	0	15073	0	4587	0	0	13576	Phytochemical	0.4814815	1.1481482	0.037037037
20	C27 H31 O13 N1	578.1868	578.1877	0.086163744	578.1869	318571	276064	270929	329512	329621	221764	18684	150624	356290	951873	469779	80857	376207	189476	134179	67744	72503	274177	357121	645345	729328	501016	161517	194249	130537	490458	122050	344160	171932	99024	168475	185202	264369	36243	960633	159794	208920	123458	60502	543551	390554	110385	7864	0	0	721819	462159	0	145276	112122	275272	269279	198015	0	461344	260060	184843	211722	229526	91197	77343	368036	464451	307431	122045	318706	166155	99515	363248	684314	514248	164932	162350	124654	90647	154820	0	141446	227844	231090	153065	420099	102360	186938	274381	152072	225631	161974	119730	73144	111397	215407	168317	260533	454401	0	307761	198300	245957	245203	250465	157284	92590	149437	465975	129495	203609	0	119596	559265	Phytochemical	0.4814815	1.1481482	0.037037037
16	C26 H31 O12 N3	578.19806	578.1987	-0.07999743	578.198	87628	86696	82936	90180	68248	33636	43860	79308	47780	123067	71149	50132	83612	40060	112664	87644	50432	97660	28680	75436	133343	134776	67752	84604	81320	36734	23816	41848	40048	23632	93924	76072	111028	44480	222896	19588	63724	27872	33792	117988	51912	28312	0	0	0	112856	68184	0	89100	57364	97027	98848	57956	0	64256	27556	21582	75331	107172	19228	74676	73608	69352	63712	14488	61040	61120	36672	37636	96338	66102	90764	89924	77432	31148	71336	0	44264	88464	29812	79084	98636	45773	72248	62872	53176	55004	52572	43792	0	101960	114300	0	61076	118364	0	82960	84420	74756	27148	58628	79264	43960	75072	47724	61476	26756	0	76648	112904	Phytochemical	0.46153846	1.1923077	0.115384616
12	C26 H31 O12 N3	578.19806	578.19904	0.17018929	578.1981	16283	16927	14442	16038	7786	8512	19252	23269	11216	15862	5235	9642	14213	4021	14108	14791	18120	11852	19898	14617	16041	32560	19912	29155	16555	3310	10084	0	16339	11605	16691	13914	26081	12398	31481	15168	16269	17283	13241	19047	14091	7626	0	0	0	24130	14390	0	19010	12612	20185	14519	7402	0	19998	10403	6558	21955	16778	8874	0	19266	18237	10138	6871	15392	9307	20445	0	7495	2879	16343	13371	15992	11148	11065	0	13598	20568	0	16524	13443	16148	11978	9537	6613	19461	9136	11756	39649	9757	21614	38435	17006	13509	0	14416	20037	10825	9144	9878	16869	14111	13648	0	14407	8947	0	18747	19355	Phytochemical	0.46153846	1.1923077	0.115384616
10	C26 H31 O12 N3	578.19806	578.19904	0.14801978	578.1981	14168	13595	12072	14687	6848	4936	9633	14004	8348	16181	4820	10673	11943	6193	9608	16482	10943	8893	10680	9985	10835	22300	9906	20648	10511	0	7000	0	9913	12089	11658	11783	19828	11168	17589	9531	15168	12411	13473	17899	12679	6153	0	0	0	21971	10692	0	16129	14255	11681	15515	8526	0	10820	6486	6096	14393	12117	7025	11856	6936	12069	10207	3812	11079	7380	16000	0	2615	3648	13421	10744	10761	8419	9329	0	8992	16460	0	9746	9959	12062	6434	8132	5552	12450	6785	7937	20326	9642	16023	31072	10191	11610	0	13631	14322	4701	5842	6084	9674	8885	17830	0	16610	5101	0	10098	13446	Phytochemical	0.46153846	1.1923077	0.115384616
28	C28 H35 O12 N1	578.2232	578.224	0.134321	578.22327	3370	3630	2869	3388	4540	1688	1241	0	3865	13845	2753	0	9143	2919	2263	3686	0	5961	3891	12072	13319	4116	2713	3477	0	11057	0	3146	0	0	2237	1409	0	1209	13942	0	4175	1527	0	5632	4862	0	0	0	0	7238	7126	0	1601	4051	4935	2782	4582	0	6629	4516	1751	2129	1357	0	3515	2616	7037	4201	1123	6391	1686	2018	7511	20171	12908	0	0	0	0	1299	0	1642	2814	0	2427	4304	1540	5340	6349	2644	2095	1602	2137	5010	3214	3626	2029	1802	2240	0	3373	3083	2143	4075	4145	0	0	2919	4140	3405	2322	0	1358	8680	Phytochemical	0.42857143	1.25	0.035714287
20	C28 H35 O12 N1	578.2232	578.22406	0.045809466	578.2232	68001	72180	71730	60933	70803	61277	30893	76125	71696	347920	74444	28863	101141	39264	59207	56037	28932	94943	105349	179954	160142	74609	60123	76370	55558	112008	27787	65790	62568	54540	52943	51741	57977	51429	391492	51319	79828	38668	27309	112921	65857	40500	1593	0	0	134485	92567	0	50205	58180	78533	67564	46596	0	88400	72086	33227	47527	57094	20222	66176	75423	91425	62358	31822	73958	42988	26488	89424	156483	113592	66505	60053	53740	36609	46751	0	39629	49598	48212	44203	64267	44786	87883	72885	45659	45442	31698	38536	30933	60708	62404	89020	50276	83256	0	72743	83493	58766	50622	60668	51042	34279	67225	81073	57439	51619	0	41207	86532	Phytochemical	0.42857143	1.25	0.035714287
16	C28 H35 O12 N1	578.2232	578.2241	0.10117281	578.22327	45626	51151	44822	49291	28453	24669	28262	45702	35457	98848	46974	26437	36408	16039	40933	45412	36663	33669	53817	112268	81612	55309	39897	51597	35607	65416	23661	35861	48897	43405	40183	46757	35315	30881	113061	44616	46434	28041	31857	71934	51250	24985	577	0	0	62777	54135	0	52231	45536	37990	43771	24321	0	42758	33390	17013	44595	40783	29515	48488	41668	41080	29576	17656	33474	24614	26303	56039	70525	66642	45940	38154	49654	39836	42181	0	31356	34011	34697	29651	35724	37965	49008	35230	22342	34021	20141	23890	43670	51062	61224	71684	35568	56094	0	45061	56055	32788	20657	24238	51305	25346	60756	42918	41030	28048	0	28396	36275	Phytochemical	0.42857143	1.25	0.035714287
12	C28 H35 O12 N1	578.2232	578.22424	0.2611544	578.2233	14019	14792	7227	11992	3170	3883	8050	14082	7280	17483	12547	7194	10142	1373	8207	11922	7336	7519	10811	23364	21458	15957	9484	12561	8584	8355	6401	0	11850	6886	9364	10941	12923	8264	38461	10637	8803	6476	9414	20950	16202	6330	0	0	0	17322	15191	0	8941	9990	11332	8595	7014	0	13598	3755	2495	13219	5346	7851	0	20641	7102	6820	2745	5729	7909	12710	0	12198	16992	8704	10229	11434	7050	8176	0	6750	9961	0	7491	6391	8337	8450	7077	3853	7931	4931	5652	14762	6835	10083	16132	0	11695	0	7960	11658	4573	3288	4969	6916	6553	10575	0	8754	5033	0	7772	7675	Phytochemical	0.42857143	1.25	0.035714287
26	C28 H35 O12 N1	578.2232	578.224	0.12188182	578.22327	7196	6523	5539	6580	10601	6868	2261	5961	12702	29932	6946	0	24005	5689	0	0	0	17782	14114	26041	26404	8664	9176	6420	0	19677	1903	7259	0	0	3769	0	4073	4435	27923	0	5785	3304	0	12408	8973	0	0	0	0	15775	17422	0	3556	0	10597	10847	5608	0	11767	9176	3170	5008	4322	0	4938	8790	17277	6898	2372	14216	3752	0	20004	27950	30077	5312	3960	0	0	2603	0	3440	6887	0	5940	12892	0	9504	11991	0	6081	3153	3036	3195	6360	4953	5964	5417	8185	0	9013	7729	9446	7551	11090	0	0	5175	12770	4777	9803	0	0	18813	Phytochemical	0.42857143	1.25	0.035714287
22	C28 H35 O12 N1	578.2232	578.224	0.05658974	578.2232	48703	47941	45556	48538	40885	37562	14162	35737	55199	116148	53731	19381	76494	34836	29629	35435	18567	81371	60527	125908	107019	66833	36584	41948	29673	77858	19219	44262	46270	23977	29881	29618	31220	31018	125295	28577	34621	19333	13725	74121	38390	28928	0	0	0	106780	71808	0	31978	32553	42378	39500	34323	0	68781	48643	19797	29439	38048	15821	34821	56869	68557	45407	19857	61282	31480	11087	66252	121378	66213	34309	35863	26501	15016	23954	0	29484	32726	24656	29493	51204	21400	46421	55613	33600	38786	21146	26982	16791	38480	41974	44078	29976	69637	0	39990	48456	37804	37982	41436	33675	20930	35728	66140	30503	38382	0	22718	78653	Phytochemical	0.42857143	1.25	0.035714287
24	C28 H35 O12 N1	578.2232	578.224	0.104455926	578.22327	19377	14636	18547	17448	23725	22925	5880	14182	28769	57374	20440	7043	53023	14473	12915	10777	3078	35236	37373	53886	52275	22905	16389	16802	9317	37863	5661	17548	6519	6461	11172	8101	15799	8448	76566	8840	15560	10431	8235	32213	21130	9222	0	0	0	46754	37662	0	9600	9223	15301	19252	15036	0	33610	23896	12052	12924	10344	6018	11617	20831	36454	21677	7886	24832	12304	4787	24563	55394	52131	12853	9696	10069	6795	8465	0	9144	18975	10301	11277	25002	6125	25848	26889	12922	14856	9469	9179	7188	11616	17341	18516	12535	29984	0	21065	23403	17180	16028	20195	11666	5110	15937	28537	13234	19556	0	8597	35606	Phytochemical	0.42857143	1.25	0.035714287
14	C28 H35 O12 N1	578.2232	578.2242	0.21149652	578.2233	32872	20594	14802	22173	10839	12000	16510	27503	15854	42374	24311	13589	20700	8084	19842	28607	22596	14436	21744	51387	47117	39002	20393	35061	16893	28267	13224	24356	27981	25355	17542	30901	24737	18871	71192	27610	21731	15472	25126	33593	27716	13849	0	0	0	37534	37979	0	23050	23813	27403	25669	13470	0	23032	15559	9404	27672	24725	16054	23241	21363	20872	17381	7281	13011	11740	17864	22308	28432	28110	18806	20055	26487	19494	17373	0	17848	17587	18274	14688	18626	16403	24642	15906	7012	20048	11393	15072	25759	18740	19478	35633	19395	34256	0	21780	31816	11262	11718	12147	28483	16093	32643	19311	22716	10809	0	17932	17951	Phytochemical	0.42857143	1.25	0.035714287
8	C25 H39 O12 N1 S1	578.22656	578.22894	0.46693048	578.22687	2147	2215	2221	2319	1994	1135	2149	5499	0	13096	25030	1536	3061	0	1697	4019	2497	1887	2157	5917	5408	5758	1363	3603	1443	1736	1399	2658	2943	2881	2612	3567	1901	2387	9932	3226	2494	1756	2468	6285	4069	1445	0	0	0	0	4223	0	4231	1706	2880	2277	1006	0	2701	539	691	0	113932	1216	0	27361	3303	1122	0	1684	1726	2648	0	2454	2180	2257	2728	3621	0	1775	0	1927	1624	2561	1274	2266	1244	4065	0	0	2062	1374	1841	3235	0	0	5332	8390	3217	0	2593	2507	0	1270	0	4078	998	0	183059	2873	0	0	2825	1935	Organosulfur	0.48	1.56	0.04
10	C27 H35 O11 N3	578.23444	578.2355	0.15699995	578.2345	27602	23706	21342	24892	14568	12254	22150	36322	17434	37698	18782	17698	18638	3286	21094	33352	18766	8748	24332	52096	38822	48302	22876	51380	36780	11082	17432	14372	25642	22530	32510	25834	30358	19692	61634	27194	32614	23632	16370	37496	26112	11074	0	0	0	32008	21728	0	28176	18812	24967	26904	14252	0	27174	4480	7820	37084	21768	12594	28464	19252	14780	11508	7770	17990	13362	20792	0	24822	13878	22180	25942	27584	14116	21364	0	21372	31738	0	19898	10112	19604	24098	9220	8756	31352	13378	11234	50872	35588	46346	81956	21942	35266	0	35028	29120	11490	9472	11768	34360	15958	35728	0	35788	8336	0	24270	18364	Phytochemical	0.4074074	1.2962962	0.11111111
16	C27 H35 O11 N3	578.23444	578.23517	-0.1800142	578.2343	80796	69836	57580	58720	25768	37780	85504	29363	45768	70852	37212	65192	44964	12676	128512	80996	45168	33068	68424	63532	100624	87568	44312	95384	105496	50828	60400	44768	90972	81572	98900	108268	123012	71488	185528	78284	100172	91972	62308	73100	46004	37992	0	0	0	70200	39656	0	67368	65568	59720	68900	45696	0	71864	24512	35592	86296	83756	52716	48092	62656	54048	32108	21016	58468	49000	67544	44724	63708	75568	67392	79116	44124	59776	76924	0	54776	96172	0	92556	37686	95576	49272	23576	26376	57556	50140	47772	0	90600	106744	158104	45924	58824	0	38172	46440	42856	29068	27912	84608	65260	100464	28484	0	38844	0	98888	97636	Phytochemical	0.4074074	1.2962962	0.11111111
10	C26 H35 O10 N5	578.24567	578.2465	-0.24102622	578.24554	2722	3221	2748	0	0	0	1546	2415	930	0	1931	1137	1483	0	1971	3831	1727	1353	1397	0	2273	2400	1668	3063	3161	0	1637	8256	3350	3197	3331	2772	2592	3414	2163	908	4198	2186	1095	0	1686	885	0	0	0	0	0	0	2804	3073	0	0	633	0	1963	708	1199	6428	0	0	0	0	1909	1587	0	1241	0	2275	0	0	0	0	1674	3349	0	2599	0	1578	2100	8308	1364	0	1206	0	1985	1102	2947	0	929	3331	61329	15980	4643	1980	2443	0	3495	0	0	1142	1324	3313	1998	0	0	3349	829	0	1158	0	Peptide	0.3846154	1.3461539	0.1923077
12	C29 H39 O11 N1	578.2596	578.26056	0.2343946	578.2597	8564	10950	8372	14500	3004	5337	7244	15970	7210	19300	7878	7646	5828	3592	9892	10006	6772	9950	11222	24902	23578	15294	9658	18306	11368	9050	8458	23444	11912	6586	11108	12392	14520	11714	19898	11484	16058	5074	9484	18682	10494	8804	0	0	0	14944	0	0	23960	15358	11244	6722	3620	0	4836	5312	3464	11806	0	0	0	5910	5018	6990	2870	5614	5630	13888	0	15378	9496	11010	8700	10886	11560	8028	0	9405	4792	0	8922	5234	3004	12918	0	3308	12468	5604	4548	15296	11620	15074	19328	9484	12152	0	8468	15470	0	3938	5716	15328	7430	19702	0	13174	0	0	7236	2924	Lipid	0.37931034	1.3448275	0.03448276
16	C29 H39 O11 N1	578.2596	578.2605	0.080157705	578.25964	21189	23561	24756	23373	10959	11655	14273	31762	15719	36155	18234	18038	17354	9848	19922	35151	27593	23414	21309	43477	34111	23067	26296	38695	27999	44299	13611	24557	35032	24000	25205	25441	27161	25743	35022	29223	31159	18500	21491	30769	26721	17167	514	0	0	23213	20376	0	31490	28440	22558	24707	18722	0	18983	15938	9603	27046	19570	17164	38340	17654	11799	14969	8939	15494	14729	21279	21469	35095	34842	29577	23401	28189	23472	27478	0	18867	26700	16562	18041	13942	21840	19331	18838	11242	25621	11103	9816	32346	29805	30495	31880	17303	27144	0	24401	24721	8798	13928	10642	38892	11511	26753	12785	19250	12828	0	24050	13602	Lipid	0.37931034	1.3448275	0.03448276
28	C29 H39 O11 N1	578.2596	578.2604	0.03647309	578.2596	6437	5612	4756	3817	7876	3122	0	3971	4175	13098	4586	1580	10347	2798	2769	4757	0	6725	8449	11921	16420	3584	4621	6042	0	17286	1447	5981	2781	2773	3452	2946	2150	3376	14485	3009	4032	1817	1668	7409	7158	3415	0	0	0	6876	5934	0	2462	2851	5171	4461	6327	0	7432	4780	2065	4592	3006	0	4263	2148	8965	4803	1517	7906	3800	3184	14264	32233	31786	3006	2857	0	0	2824	0	1698	5595	2216	3077	3052	2875	3734	5862	3800	4309	1999	2666	2904	2999	3999	6065	2243	4201	0	4138	6335	2152	5477	6334	3791	0	2987	0	3077	4357	0	2596	7934	Lipid	0.37931034	1.3448275	0.03448276
26	C29 H39 O11 N1	578.2596	578.26044	0.0528743	578.25964	15220	19055	13610	12744	21149	11012	3332	9133	21192	38213	13399	5713	39147	10448	10714	11006	6248	27499	25116	42746	41852	20642	14798	16463	7445	49486	4951	13815	10862	7927	10586	12273	13759	11774	41010	7226	14801	8746	7325	27668	19065	10310	0	0	0	20873	21413	0	11309	13450	12430	15819	14593	0	23285	22718	10720	11941	6759	4927	17512	17465	31729	16977	4402	19070	10314	7262	40848	69534	54652	13791	12592	8631	0	7274	0	10034	17343	6661	14620	12466	9081	14278	21115	12576	14715	9062	9209	7478	9113	15874	20407	8100	17130	0	15593	20183	14801	15078	19919	9152	6813	11570	16972	10439	19093	0	6819	29196	Lipid	0.37931034	1.3448275	0.03448276
14	C29 H39 O11 N1	578.2596	578.26056	0.19358449	578.2597	11453	7313	9388	11546	4067	5180	8158	10778	3876	18655	6622	8843	3354	2452	8977	12070	12116	3351	9250	17466	14681	19477	10009	17025	13712	11969	8768	9352	15125	15807	9507	10257	12484	11188	19958	13748	7294	7028	12263	11378	12426	5184	0	0	0	12368	7696	0	21523	15951	12560	9140	3651	0	6829	6314	3119	10938	4830	6376	0	9438	5783	3645	2347	7233	5711	13260	0	11746	9557	7694	10466	11037	11552	16359	0	7488	7002	0	7124	8276	5940	9873	3573	3648	9304	3927	7734	17196	16298	11802	20872	8285	7701	0	10212	15767	3151	3585	4239	11742	7518	18508	0	10252	4964	0	7015	4799	Lipid	0.37931034	1.3448275	0.03448276
20	C29 H39 O11 N1	578.2596	578.2604	0.052586246	578.25964	102419	82845	76837	78368	72965	53044	48718	97596	79211	147825	89170	51154	102406	49120	88194	93122	55093	103106	126335	183936	175278	85324	88256	125579	79098	349716	52439	78969	103814	86292	77141	87056	94584	79969	168889	100795	100614	65490	48999	118906	79214	58648	2625	0	0	107621	78510	0	99754	80193	82770	76836	65766	0	111184	79688	41031	87737	84672	43896	89141	81570	92425	77118	43366	74082	49333	55556	122124	191959	147980	88519	84369	87707	59950	79524	0	65699	75148	48956	63356	56201	70791	113173	89020	57708	69547	52565	61483	60815	90137	92676	125470	49780	75156	0	90300	99329	62059	55490	69712	101301	57245	116679	60248	81502	73302	0	62243	93359	Lipid	0.37931034	1.3448275	0.03448276
22	C29 H39 O11 N1	578.2596	578.2604	0.05723133	578.25964	91912	75336	89356	93438	79458	71331	40037	85993	84663	179501	82585	43440	103445	64830	69983	84465	42682	117600	116815	192278	178286	71139	77825	99842	73575	159443	34782	77144	86443	70996	70271	84703	75762	75485	196229	78764	98383	55062	39467	117492	66272	52383	2534	0	0	111580	70605	0	74119	72647	80703	83533	67811	0	117839	82985	43878	74566	79366	33890	97292	85494	94384	80531	42738	85879	66840	39216	117168	234877	160789	81837	74348	67539	42099	64004	0	61032	76011	36473	67182	63585	51395	73685	100991	57414	69303	43456	55293	39583	78970	106908	97035	46445	92214	0	77474	94108	67155	65643	75697	87261	44942	99980	64113	68351	71881	0	52596	115422	Lipid	0.37931034	1.3448275	0.03448276
24	C29 H39 O11 N1	578.2596	578.2604	0.05142079	578.25964	47565	42998	44422	43269	54092	37977	14203	41320	55607	103403	48908	19465	89778	30153	38973	44921	15653	66864	74936	198324	91737	37083	39272	50099	31346	92833	13601	46610	36304	29796	30319	29539	35816	35461	122802	34716	45315	23991	13937	66849	38438	23012	0	0	0	66919	43086	0	35065	30619	43721	44237	36453	0	70955	47420	25917	44294	36145	11275	44521	40823	61931	44353	19179	62339	29311	19937	79197	136167	108930	39692	31501	28341	16179	27429	0	29897	37874	18873	35321	33575	21311	41885	56677	27415	35907	24521	23972	20250	41278	45783	54549	23949	45829	0	45498	46682	35571	35760	46985	34466	19055	44504	42330	33987	36298	0	26787	70744	Lipid	0.37931034	1.3448275	0.03448276
18	C29 H39 O11 N1	578.2596	578.26044	0.04500575	578.25964	56816	51517	55041	53739	31257	29866	31955	68253	37864	80505	50643	37243	50964	25054	50797	63236	45384	56891	67755	101066	90876	51510	55134	76683	43894	85837	37352	50112	78954	63991	58835	66907	55756	51483	85534	61216	69382	39655	37437	71175	51846	41543	556	0	0	55270	46760	0	65007	61548	58339	48822	36467	0	60808	31820	25230	56207	44720	37361	62570	41740	42905	37374	24227	40279	38378	41388	74090	100799	88247	60193	53579	53202	48923	60154	0	46498	63021	33221	44656	28904	42140	46003	51997	36491	54811	26417	34210	49563	68457	56746	88545	33564	54618	0	57750	62436	38461	30866	39262	67802	33869	67691	35232	46249	37994	0	38676	40891	Lipid	0.37931034	1.3448275	0.03448276
10	C27 H39 O9 N5	578.28204	578.28326	0.13041104	578.2821	9095	6495	6250	7900	0	7629	0	0	0	0	11105	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	73935	0	0	0	5760	0	0	0	0	7745	0	0	0	0	0	0	0	0	0	0	0	1174	7605	14665	0	3670	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1741	0	5977	0	0	0	426295	0	0	0	0	0	0	0	0	0	0	890540	272015	9325	49300	0	0	0	8305	0	0	0	0	5335	0	0	0	0	0	0	0	Peptide	0.33333334	1.4444444	0.18518518
26	C30 H43 O10 N1	578.29596	578.2968	0.058123305	578.296	33171	27442	27508	29665	42735	25200	11049	35426	40955	45756	30192	11741	55958	22276	30928	27413	12117	50944	57405	72771	63187	24982	25455	35924	25443	80834	8493	33328	34764	26457	27383	20280	32446	25938	67555	34910	38588	19117	11432	49377	23115	17601	0	0	0	46692	19726	0	23125	25281	30798	30860	31290	0	51227	39715	16447	29963	23358	11008	35217	23637	46210	36185	13172	44079	28122	10095	69764	99096	83468	31513	32547	25039	9075	22189	0	18983	35429	11274	26001	19584	21531	26337	54964	27001	27811	14908	19760	16860	30723	33120	48151	12368	22532	0	38943	35261	27762	36255	46505	34775	11265	30216	19347	20561	35521	0	18294	44204	Lipid	0.33333334	1.4333333	0.03333333
20	C30 H43 O10 N1	578.29596	578.29675	0.030371828	578.296	42125	49415	39027	39129	39062	24812	24793	57089	35673	43411	25821	25127	46286	23046	46055	66023	45589	35244	57604	68293	66715	28975	41247	63062	39089	79520	30231	35472	57603	45165	40992	45558	56807	37340	46091	51032	43199	33414	34918	47302	38815	32609	810	0	0	40536	32665	0	44015	44155	44735	41296	32910	0	49408	41967	22967	48225	37928	26947	59096	22339	34693	35683	19041	32877	28929	39995	54350	72224	71328	37822	36835	47704	51382	42408	0	32180	51201	24084	37179	25477	31192	41566	42921	31001	46226	28944	28619	39944	48862	42229	62574	17153	27477	0	40342	51478	30348	30034	41675	65402	26452	54362	21381	41307	42009	0	41547	36346	Lipid	0.33333334	1.4333333	0.03333333
28	C30 H43 O10 N1	578.29596	578.29675	0.10621462	578.296	5950	3670	5668	6365	11673	3156	1481	4217	8677	11043	6071	929	11174	3636	3420	4776	3189	4170	8644	13150	12866	2184	4023	4394	4245	26277	2019	8373	4816	2682	3332	4024	5797	3802	12154	4095	4292	2345	2939	7874	4802	2303	0	0	0	4901	0	0	3744	3378	5315	4591	5384	0	10968	7358	2568	5416	2001	2585	6007	3190	9494	6794	2672	7887	4159	3941	20976	29410	28870	2194	1811	0	0	1407	0	2900	7676	3468	3672	3560	2849	5955	11968	4661	4192	2821	3423	3164	4644	6713	4177	1823	2419	0	4883	4313	4373	11754	10148	2945	2300	4747	3014	3225	7226	0	2739	8670	Lipid	0.33333334	1.4333333	0.03333333
18	C30 H43 O10 N1	578.29596	578.2969	0.104798496	578.296	15179	13776	13831	12407	10603	7294	11133	16887	10419	11215	12789	12997	10723	5931	14317	27167	20312	9514	19064	17445	19372	12199	16841	21347	14695	21397	11642	7016	26950	24392	14287	16428	22692	14992	14120	26663	16108	12980	18245	15404	11896	10322	0	0	0	13575	14024	0	17993	14006	13794	9594	12599	0	13916	10078	7933	22610	12850	10523	26225	7509	11829	8935	7459	9581	8470	17474	17237	20908	20934	12922	13540	19153	18150	13516	0	13003	18239	5490	13206	7299	10088	10486	10918	8964	13571	6937	9388	11905	22439	16288	28322	8081	7937	0	12048	10988	6960	8060	11208	22297	11866	19792	5698	14962	10340	0	13395	6373	Lipid	0.33333334	1.4333333	0.03333333
14	C23 H47 O15 N1	578.3018	578.30316	0.34110764	578.30206	0	0	0	2199	0	0	0	0	0	5876	7015	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1546	0	0	0	0	0	1883	0	458	0	0	0	0	0	0	0	0	0	0	16036	0	0	1751	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5840	0	0	0	0	0	0	0	0	0	0	0	0	8749	86218	0	0	0	0	0	Unclassified	0.65217394	2.0434783	0.04347826
16	C28 H43 O8 N5	578.3184	578.3188	0.09691415	578.3185	2897	0	2026	3006	0	0	0	0	0	0	5395	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	23802	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3277	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	92020	0	0	0	0	0	0	0	0	0	0	575091	125803	0	7853	0	0	0	2782	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.5357143	0.17857143
14	C28 H43 O8 N5	578.3184	578.3191	0.19910069	578.31854	0	2176	2619	0	0	1254	0	0	0	0	1587	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56186	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2238	2132	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	179324	0	0	0	0	0	0	0	0	0	0	442858	104622	0	12576	0	0	0	2032	0	0	0	0	0	0	0	0	0	0	0	0	Peptide	0.2857143	1.5357143	0.17857143
22	C31 H47 O9 N1	578.33234	578.3332	0.05783884	578.3324	13870	14174	14339	10601	14361	11311	15713	19853	12843	12747	10331	13088	14292	9833	19777	26944	20325	18325	24725	16263	17776	9330	18075	21715	17486	15223	13478	11925	25029	18612	17510	16522	16803	15762	10787	23730	22521	18710	22348	10530	8138	13461	0	0	0	9730	4628	0	18611	20019	12661	16189	11920	0	19780	15111	11011	23327	15271	9823	26063	8875	13545	12159	10024	10816	9645	22846	14913	24406	17780	12830	12850	20032	15653	19710	0	12176	14681	6600	15725	6767	11584	9788	16958	19371	19026	9818	10138	14695	20232	19683	21892	4650	7111	0	12191	18121	10691	15234	20194	32368	14656	16827	8131	16169	20993	0	13987	15144	Lipid	0.29032257	1.516129	0.032258064
26	C31 H47 O9 N1	578.33234	578.3332	0.015016201	578.3324	26361	27033	29849	27110	45950	20531	17819	38187	41121	33579	23695	16329	44814	26013	29463	22937	10697	40875	59090	59930	43836	22050	30626	33324	35874	51950	14416	31287	46557	29683	29591	27738	48777	31747	41843	36125	49731	20880	13669	37225	13402	25634	0	0	0	27593	9641	0	34863	32807	28416	24986	32241	0	62641	44313	18825	34229	31880	9959	35230	22057	39677	38675	11097	31294	29346	19897	49030	60925	37444	24067	28744	32978	10007	26989	0	19832	34092	10577	19426	13590	23169	24676	55153	33895	39759	15249	28286	14414	30925	44459	37509	13908	16589	0	29131	38416	29753	37937	49399	38021	15650	38689	21494	30948	42104	0	24671	31686	Lipid	0.29032257	1.516129	0.032258064
24	C31 H47 O9 N1	578.33234	578.3331	-0.010944518	578.33234	38598	38329	36135	27118	43562	25163	28508	39400	39930	33275	28349	18461	47386	24905	31446	45059	27142	41733	63042	52119	44236	24218	35300	40667	40542	56241	20013	35781	36998	34485	33499	40007	46181	36399	45186	49129	55340	29986	25907	40848	19527	29505	0	0	0	33012	17410	0	41405	36317	33026	36247	36372	0	68475	37451	18448	46643	37178	13346	46631	18487	43652	40200	18771	32905	26663	24328	48631	72010	46855	29549	32594	41723	25218	31443	0	31466	34461	15002	31172	17403	27406	28597	49192	35503	40261	23761	27162	24646	46967	52990	53480	19394	25790	0	37578	39292	30362	39688	39804	57635	23803	43823	18323	39801	41225	0	33712	41997	Lipid	0.29032257	1.516129	0.032258064
16	C24 H51 O14 N1	578.33826	578.33905	0.19071683	578.3383	0	2118	0	2290	0	0	0	0	0	0	2130	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5089	10130	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3453	4521	4016	0	0	4190	0	0	0	0	0	3243	0	0	0	0	12505	5273	0	1515	0	0	1333	0	0	0	5029	1531	0	0	0	0	0	0	3926	0	0	7532	0	0	0	1259	0	0	0	1044	0	0	0	0	0	0	0	3614	0	0	0	0	0	0	0	11651	34086	0	0	3711	0	0	Lipid	0.5833333	2.125	0.041666668
14	C24 H51 O14 N1	578.33826	578.33923	0.18786688	578.3383	167142	178185	164419	167353	31995	49785	85381	27024	12205	280132	583282	16670	24709	196883	11926	41020	78598	13284	20372	117679	34828	136716	14625	73223	8455	10746	471255	536958	12824	25304	11913	11600	14603	9075	28193	18707	16477	17861	31163	170646	649134	61683	126485	4353	4124	424024	537994	13184	21016	24952	161220	155400	14561	11033	8489	2242	9029	99872	1347541	535764	1509900	316019	187166	8115	7612	60422	139744	76845	667505	161441	155868	19624	9250	19329	14482	27987	14200	9188	6157	743209	4845	29090	10517	6582	5995	10447	3896	70684	34241	184982	176825	87385	71781	202246	138651	7353	177015	165286	8114	4199	11336	36854	10397	777085	4626006	15454	8781	13276	7609	55241	Lipid	0.5833333	2.125	0.041666668
20	C25 H22 O16	579.0981	579.09906	0.23551555	579.0982	8705	6026	8134	5817	15912	6009	0	0	18952	3235	1631	1181	43452	4303	1329	2194	0	16187	10513	3052	4431	19570	3191	0	1531	0	1116	0	0	0	0	0	1528	0	7296	0	2846	2005	0	1992	5293	1463	0	0	0	8703	17330	860	0	0	5841	5684	7615	0	23372	18158	4055	0	2016	0	1685	4336	32618	16415	4228	23386	7094	0	1971	0	2077	0	0	0	0	0	0	0	7421	10356	5735	13586	0	0	19808	8257	6682	2832	3792	0	0	2701	0	21113	11256	0	4700	5276	13668	19442	16674	0	0	0	13263	0	11634	0	0	27895	Phytochemical	0.64	0.88	0.0
16	C25 H22 O16	579.0981	579.09906	0.22293374	579.0982	5242	9449	4354	9123	20593	7682	2188	0	24031	5278	4403	1401	46952	5421	1713	0	0	15855	18912	0	7398	19104	3297	1749	0	0	0	2165	0	0	0	0	1856	0	7315	0	1766	3082	1392	1742	3909	2262	279	0	0	8918	26360	0	1699	0	4916	7639	9100	0	16890	21096	5038	0	1528	0	0	2871	38490	18155	5449	25640	4667	0	0	2385	0	0	0	0	0	0	0	2218	8648	12736	6258	13604	0	0	25102	8548	4357	2884	3870	0	0	1927	0	24012	13580	0	10950	8727	19078	29758	34227	2185	1463	1798	12079	0	18025	0	0	32247	Phytochemical	0.64	0.88	0.0
14	C25 H22 O16	579.0981	579.0992	0.31620547	579.09827	4231	5523	3936	4289	11305	4738	0	0	20009	4368	5115	0	28051	1884	0	0	0	12669	10730	0	2202	19553	2276	0	0	0	0	0	0	0	1379	0	0	0	7010	0	3119	0	0	1291	4843	1733	0	0	0	5374	14162	0	0	0	2948	4848	5631	0	12241	13403	4709	1723	0	0	0	4430	41776	19332	3657	16856	3017	1291	0	0	0	0	0	0	0	0	0	0	7019	0	3761	8482	0	0	22003	7166	4442	3125	3910	0	0	0	0	21053	8547	0	5891	0	13613	30064	27178	0	1635	0	0	0	13854	0	0	27278	Phytochemical	0.64	0.88	0.0
22	C25 H22 O16	579.0981	579.099	0.17098929	579.09814	4032	5026	5103	2930	5571	3530	0	0	10520	4384	0	0	19188	0	0	1620	0	10140	6904	3550	3424	11819	2680	0	0	0	0	1369	0	0	0	0	0	0	5596	0	0	1149	0	1596	3965	0	0	0	0	5737	10923	0	0	0	3870	6564	5137	0	12129	11538	2739	0	1170	0	0	2699	33580	10191	3712	12503	1677	0	1756	0	3175	0	0	0	0	0	0	1421	5616	7083	3060	10802	0	0	14957	5014	2542	0	1660	0	0	0	0	9792	7742	0	3784	2763	7785	12740	6019	0	2175	0	11225	1562	7815	0	1417	25192	Phytochemical	0.64	0.88	0.0
18	C25 H22 O16	579.0981	579.09906	0.27025893	579.0982	0	26748	17595	16614	65610	15987	3189	0	85068	21774	15993	6546	131355	14502	12510	4512	0	59961	72615	6000	12911	76035	10596	0	0	0	0	0	0	0	0	0	5061	0	24483	0	0	8025	0	3801	10554	10236	0	0	0	29034	51272	0	0	0	26112	24435	22038	0	66492	52836	17835	0	8190	4071	0	7503	135720	71143	17772	82569	19416	0	7683	0	0	0	0	0	0	0	0	0	9957	37563	19770	38784	0	4224	82473	30939	17550	6624	15405	0	0	5871	6783	69543	46753	0	22953	21981	60039	88401	64794	0	0	0	31209	4452	54642	0	5994	137914	Phytochemical	0.64	0.88	0.0
12	C20 H27 O16 S1 Na1	579.099	579.10046	0.03956932	579.09906	1897	0	2677	2581	9602	0	0	0	7266	0	2310	0	10690	941	0	0	0	4168	3258	0	2020	6971	0	0	0	0	0	0	0	0	0	0	0	0	3818	0	0	1246	1667	0	0	1363	0	0	0	2367	4446	0	0	0	2651	2415	2546	0	5217	9857	2769	1704	0	0	0	0	23233	7953	2125	9083	0	0	0	0	0	0	0	0	0	0	0	0	3377	0	2952	1612	992	0	12638	1755	1667	1498	2451	0	0	0	0	9691	2070	0	3411	2275	9436	18969	13670	0	0	0	0	0	8903	0	0	14606	Organosulfur	0.8	1.35	0.0
24	C24 H27 O15 Na1	579.132	579.1336	0.26763782	579.1322	9850	7248	8750	5768	11446	7032	0	0	10016	28814	2751	2178	24236	0	4994	0	2758	12124	9292	9068	15660	18310	3206	0	2668	8213	0	5388	0	0	0	0	0	0	27948	0	2536	1980	0	12514	5956	4278	0	0	0	25824	36366	0	0	2822	7020	5072	7812	0	10646	12648	6034	2674	4512	0	0	6750	21746	11178	3916	16782	6228	0	4966	9506	5463	0	0	0	0	0	0	0	7512	15300	5240	31824	0	6246	16380	6640	7320	3696	4968	0	0	4682	5290	21760	17994	0	7424	3884	9482	10850	9162	0	1722	4438	28790	0	8674	0	4222	26562	Phytochemical	0.625	1.125	0.0
18	C26 H26 O15	579.13446	579.1354	0.22376995	579.1346	19926	20632	27710	23967	32660	21693	3561	5510	42530	41752	20021	6074	89363	14831	10818	5250	1750	49321	41688	25826	26600	62491	15572	7592	6459	3224	2706	8053	4533	3464	5729	5141	7437	4576	115194	2626	8852	12366	3319	25241	14829	8404	383	0	0	69219	63244	0	8536	2711	20313	19722	24430	0	49306	36871	14282	4065	8036	4350	8359	22374	79986	40680	13238	47475	15516	2691	7971	8254	13305	3664	3156	2720	1722	5403	0	7776	18542	33918	18330	73580	6671	8857	34806	18889	17649	7133	15909	5046	7425	10986	10021	48065	52312	0	23573	22457	32937	32793	36668	10435	4401	9478	46265	4427	27447	0	4408	69858	Phytochemical	0.5769231	1.0	0.0
12	C26 H26 O15	579.13446	579.13556	0.25709555	579.1346	8321	12246	8153	10749	13042	5442	0	2274	16268	21499	17264	2831	21930	4861	3933	4241	3958	16448	14781	9904	15192	30987	7112	3067	1581	1489	3165	0	1720	2478	2007	2889	4430	2818	24598	0	2915	5642	2670	9231	12253	4183	0	0	0	14801	47285	0	2748	2389	10061	9226	9553	0	17211	16460	7240	0	0	0	0	4654	29894	17319	5010	17396	5638	3855	0	4056	5876	1776	2929	2053	2457	3226	0	3884	12348	0	9173	18123	3641	3718	17784	6197	8246	2328	6906	0	0	3940	5489	31212	20551	0	6779	10208	21779	22327	19887	6621	2408	0	19956	4095	16271	0	3611	24389	Phytochemical	0.5769231	1.0	0.0
14	C25 H26 O14 N2	579.1457	579.14667	0.23166183	579.1458	8803	8633	6409	13777	8006	3640	0	4810	8547	16517	4464	3001	22825	2654	6821	3908	6942	13790	11519	7144	12115	33121	4100	0	1663	0	1948	0	4062	2408	3015	0	7895	2115	15373	2917	4084	5901	6117	12791	19622	3478	0	0	0	30321	48956	0	2323	2454	11045	7966	4997	239	17310	8168	3744	0	0	0	0	14045	26806	18701	3117	14322	5834	4369	0	2167	4286	2770	1840	2913	2566	2911	0	3521	8351	0	3122	21188	2892	6277	11291	3311	4578	3896	5046	6835	3451	4443	6853	21106	24480	0	8122	6553	5983	8841	4116	4305	2508	4842	30174	5696	7588	0	2586	12521	Phytochemical	0.56	1.04	0.08
18	C25 H26 O14 N2	579.1457	579.14667	0.11940531	579.14575	6635	3797	4597	3869	5872	2739	2617	2147	9857	6570	3877	1531	17103	1750	2576	2251	0	9769	6542	11124	6234	14567	5320	2727	1720	0	0	2233	0	1791	2262	0	0	0	7965	2862	2375	2843	5029	6989	5896	2095	0	0	0	21758	21463	0	2634	2037	4079	0	2475	0	6672	9836	2997	3742	2538	1006	1919	10232	16838	5686	2643	7692	2921	0	0	0	1817	0	1252	1521	2048	0	0	2151	2362	7942	3735	17225	1440	3001	8585	2870	4110	2204	0	1652	0	4066	6723	11103	19993	0	4824	6547	5502	4923	4899	2380	2307	2211	18749	0	3028	0	3534	13208	Phytochemical	0.56	1.04	0.08
10	C25 H26 O14 N2	579.1457	579.1467	0.17370851	579.14575	9605	9009	6458	10697	11501	5378	867	4788	21593	22703	11753	3269	22014	3332	4813	3708	5748	12987	17625	5613	14375	27768	10243	2186	0	0	3347	0	5147	4115	4156	4875	3178	1315	31641	1605	4051	4811	8700	11220	20351	5317	0	0	0	14398	41146	0	1825	2248	6925	10392	12447	0	18171	16139	5777	0	0	2804	0	8791	24097	16824	4066	15722	5132	8023	0	0	6580	996	1633	0	5707	3248	0	3720	11131	10806	10120	18072	1818	1900	15778	7605	9527	1958	4866	3304	0	0	4895	22571	16224	0	8801	9055	14221	21149	21635	0	5039	0	0	1907	11879	0	3758	18943	Phytochemical	0.56	1.04	0.08
18	C22 H30 O14 N2 S1	579.14905	579.1503	0.6773275	579.1494	7252	0	4022	4691	6928	4263	0	1590	3895	25718	17203	0	7906	4732	2600	0	0	7511	7502	10435	11209	12629	0	2389	1708	20632	2393	9838	0	1557	1762	0	0	0	38111	0	0	1127	0	8135	8821	0	0	0	0	4885	10338	0	0	0	5538	7315	4316	220	0	5677	2345	0	2774	1337	2353	4237	7918	6342	2530	5380	2799	0	13094	18337	16759	1363	0	0	1492	0	0	0	3006	6144	3159	6518	0	6034	4974	5425	4475	2820	1799	0	0	0	0	11603	16733	0	6270	5713	8845	9730	6347	2703	0	2571	3462	0	2401	0	2270	8261	Organosulfur	0.6363636	1.3636364	0.09090909
24	C24 H31 O11 N2 S1 Na1	579.1619	579.16266	-0.24460253	579.16174	7957	4773	9295	4745	44390	9732	3214	0	29483	4570	1153	1049	33156	8834	0	0	8621	61524	48193	1820	2572	1655	0	0	0	0	4036	1497	3444	1853	1728	3948	1340	1508	3775	2191	2396	0	6293	2832	4258	13816	0	0	0	2063	2255	0	4024	0	5472	5647	41033	0	3462	6915	8195	0	1564	1559	0	2110	2109	0	19598	23752	11902	10027	2882	2609	3106	0	1890	0	3387	0	0	0	1071	0	0	0	0	3100	24996	38393	0	35891	22238	0	0	0	2639	2024	3822	0	6829	8733	20244	10977	14243	3271	966	0	1446	0	29473	0	0	6413	Organosulfur	0.45833334	1.2916666	0.083333336
22	C27 H30 O14	579.17084	579.17175	0.2572249	579.17096	18980	19281	15810	18356	26814	16046	6241	8690	30204	108608	14172	5464	39686	9507	11788	9677	3573	28836	28733	30444	34376	39617	11323	8943	7938	10192	5206	14676	6574	5499	8534	8056	8794	5882	60365	11412	7545	10979	3814	26823	16171	7365	0	0	0	68561	42433	0	8499	6381	17784	17894	17229	0	36835	21531	5911	9435	11960	4316	6046	25568	35996	26867	8825	25546	10719	5027	11503	22926	16225	6778	7760	5295	2525	5667	0	7377	15689	15691	13192	48740	7570	15156	26091	13638	12602	8105	5512	4283	12051	18781	10843	35271	27783	0	22561	19078	24832	21391	16668	7841	10271	10283	44578	6803	17228	0	5319	45518	Phytochemical	0.5185185	1.1111112	0.0
14	C27 H30 O14	579.17084	579.1718	0.1900566	579.17096	41560	40899	36614	35077	30019	12749	21839	23009	31568	91251	45569	12735	34723	11405	20851	20938	15771	31865	33449	57128	60236	70921	27648	24862	13781	20616	17031	27381	18145	19862	20973	31969	27031	16840	112256	21038	25278	20350	25134	43749	43704	16110	0	0	0	79539	109900	0	24073	22031	32383	35082	20787	0	38774	20360	11124	24435	27869	14741	20160	30999	40867	33328	13145	37812	19747	16803	34988	30927	31571	18791	20492	17877	22231	18215	0	17925	32749	39218	21649	56351	18442	34481	28022	20749	23531	16031	13245	15110	16760	21374	23453	56257	64040	0	27662	32888	29641	29072	24144	22882	15898	25255	81543	22344	22215	0	22300	35172	Phytochemical	0.5185185	1.1111112	0.0
20	C27 H30 O14	579.17084	579.17175	0.20400178	579.17096	109438	101735	90355	82921	106267	83844	32719	68363	145974	240408	87008	32330	183618	52945	76495	53365	26110	143413	149477	348409	161192	195626	65130	57337	62934	48248	26717	58390	47495	43521	66648	54470	73993	53699	300645	50573	72872	48429	32759	150403	74417	38223	1590	0	0	294906	346000	0	59546	46019	90343	120414	71961	0	164109	85331	49123	52329	67794	26411	50722	110873	202150	98488	45499	114973	69754	28247	55328	113189	73198	52208	54625	36711	24745	41191	0	47821	70168	94137	66039	207571	49016	104492	97873	68653	62124	30189	51961	40107	77917	72462	78114	114977	136109	0	101729	94815	94337	76624	68179	59825	43709	55552	194171	48604	72478	0	41180	179579	Phytochemical	0.5185185	1.1111112	0.0
8	C26 H30 O13 N2	579.18207	579.1833	0.31632805	579.18225	10938	11092	9866	11464	8358	2516	6742	7178	8194	27380	10906	6364	14722	0	7594	12840	9426	9358	10684	20132	17754	30404	5956	10894	4941	2626	7006	0	8048	8401	4896	7160	6824	5338	31986	6928	12386	6996	12635	9770	24770	3166	0	0	0	15582	32814	0	8724	5410	10590	10144	9803	0	14066	6722	4624	11442	4656	6626	0	7100	26246	16094	3290	9668	4150	10200	0	2928	4288	0	3888	7974	9434	4510	0	4452	16445	5302	7126	8878	5136	10336	8078	0	6116	4544	3626	17594	0	0	13898	15798	19462	0	9606	8102	5672	10306	9050	6618	5274	7752	0	8224	5026	0	6708	18942	Phytochemical	0.5	1.1538461	0.07692308
10	C26 H30 O13 N2	579.18207	579.18317	0.25209978	579.1822	8280	9201	8081	11247	7327	4260	5281	7828	8006	14351	7194	5580	11789	2497	5497	10557	6949	7047	8263	13629	19579	24356	6377	10408	2905	2348	5338	0	5053	6768	7899	8303	9805	5686	23469	9115	9529	6739	11610	15568	20578	4446	0	0	0	20584	20755	0	8225	5600	12108	11769	4924	0	10262	6508	3701	10357	5195	7894	8933	7869	16332	9970	4307	10371	6892	9430	0	3064	3825	6773	5207	7776	6691	6082	0	6241	9765	10112	5416	10551	6490	8078	7502	5207	10554	5822	7264	14035	3158	12816	13822	14615	15025	0	12744	11955	4621	6521	6136	8946	3845	9504	14685	9099	4066	0	5855	13570	Phytochemical	0.5	1.1538461	0.07692308
14	C26 H30 O13 N2	579.18207	579.18304	0.12311688	579.1821	21470	25217	19992	19763	15227	13350	9684	20816	19321	45387	21678	13108	28328	5480	14327	27873	14124	23717	19762	31869	33921	55447	18401	20064	12218	3973	12210	0	17251	13915	19148	18561	31167	15838	62705	20587	24194	16531	12610	34324	26911	13972	0	0	0	44851	30394	0	19365	17099	24886	21300	8634	0	27995	13039	8087	20547	26865	8467	22121	26954	25490	23465	8190	24191	13541	13454	0	12890	8495	17762	20093	16015	10561	18624	0	15502	18627	0	15587	25821	11915	15893	11880	6736	18939	12098	13557	26890	13357	19998	34620	30947	30383	0	26372	23531	11694	12387	12966	15615	13378	24319	38449	19990	10653	0	12844	28087	Phytochemical	0.5	1.1538461	0.07692308
20	C28 H34 O13	579.2072	579.20807	0.14173675	579.2073	102184	107113	99005	97628	73838	66392	49803	91493	107144	247683	87350	37896	135657	43373	82681	56954	32723	122692	130946	191160	163295	141880	72239	79358	78570	82211	40797	67356	75855	60091	66640	74755	74535	63469	311461	72105	89802	63524	38190	136360	73929	42469	1771	0	0	195348	114088	0	72913	61113	100707	91047	69442	0	139711	70873	44056	65303	79855	29892	62444	100972	135437	92479	40926	102928	59303	38510	55838	161593	103419	74632	71527	72458	34696	67126	0	64043	80188	57404	68048	103166	60213	103130	88383	53983	60530	36129	49171	43297	78910	98851	96438	81298	109028	0	100798	89013	81464	70068	61185	73934	50401	90407	114039	68072	69200	0	59128	138987	Phytochemical	0.4642857	1.2142857	0.0
18	C28 H34 O13	579.2072	579.2081	0.11577239	579.2073	112060	104057	104859	114713	82447	62806	53189	95663	110052	278369	133557	50347	122999	38514	95508	79945	42386	106006	124453	219271	173873	142329	95104	97149	71269	93431	51273	86297	95865	83270	96888	87319	89454	92290	311123	96989	99732	69856	51565	162565	102288	54376	1809	0	0	184181	116505	0	99491	77796	105794	108437	66974	0	143408	70975	48670	93305	90541	40732	86357	96456	147264	103875	36644	99391	63037	55977	89615	286348	243714	80576	86972	91698	59093	87245	0	65296	90264	68662	81409	121350	71339	108173	87306	63956	72401	45921	59812	49736	85797	97093	121280	89568	115177	0	108972	94517	84910	76329	67019	87008	57033	93918	114832	79724	63912	0	63791	119259	Phytochemical	0.4642857	1.2142857	0.0
24	C28 H34 O13	579.2072	579.2081	0.2896023	579.2074	18020	17851	16659	21104	17998	14450	5280	10248	21879	66747	15621	5529	35601	8913	14424	11437	4291	28157	24111	42436	37772	21183	14804	11599	12744	14779	5100	13122	8294	9403	8511	10198	15303	10729	62095	11290	15428	13131	7371	32198	11164	6756	0	0	0	42543	27169	0	11632	8252	16556	44834	12463	0	31227	14660	7591	13060	12494	5161	11289	21025	32225	22781	10448	26308	9092	5904	14966	40921	22473	10914	8364	8372	7032	8657	0	7658	19956	11510	14592	56508	8333	16180	20996	12436	12961	6114	9202	10203	14841	15848	14523	12529	26403	0	17378	16714	16577	17846	17230	12690	7402	11976	28943	8152	12687	0	11343	34722	Phytochemical	0.4642857	1.2142857	0.0
10	C27 H34 O12 N2	579.21844	579.2195	0.2542102	579.2186	23070	23972	17188	23874	9328	5516	14224	15018	9670	23970	11154	11512	12156	7914	18232	22394	12620	15164	11118	34542	26086	35216	14804	28022	14216	0	16362	9738	24146	15498	22608	24202	24312	22784	45568	15030	27442	12070	16312	28062	20998	12898	0	0	0	28260	15468	0	20268	14350	14410	17606	9372	0	17074	8238	6254	17952	21054	12718	23258	21074	13208	12180	3106	14478	11300	13294	0	11164	6122	14570	15410	18022	9940	18694	0	13546	16366	13012	14500	15140	17356	15660	8138	3704	14014	8242	6992	27042	24148	30760	38436	11810	24206	0	20590	20672	5444	8518	10004	23344	14376	26384	0	18650	3256	0	13950	13980	Phytochemical	0.44444445	1.2592592	0.074074075
20	C27 H34 O12 N2	579.21844	579.21924	0.0393333	579.21844	10377	7764	6066	6982	4050	5527	7558	9148	6165	13326	3726	4462	7194	4188	10691	13137	4986	7661	9320	9636	5671	15171	7842	8579	9275	5599	3327	3140	10157	6516	7409	6255	9203	8598	17456	10078	9687	6469	6143	7337	2788	1746	0	0	0	12041	0	0	7983	5411	6176	9155	4754	0	10367	2970	2402	10746	10122	2664	8825	7171	8896	4337	2616	6087	5081	2763	0	7823	0	7664	7304	4790	2977	8974	0	6000	7010	4576	6389	6891	8573	0	2483	3469	3557	3794	5816	2767	10275	14672	23625	5615	5866	0	8368	10258	2380	0	2646	8484	3275	10341	5441	11201	4338	0	5410	12564	Phytochemical	0.44444445	1.2592592	0.074074075
8	C30 H35 O10 Na1	579.2201	579.22125	-0.34510982	579.21985	6098	7625	4646	5472	1820	2139	5222	7309	2806	13608	38324	2365	3414	1308	3078	4931	3435	4929	5324	8522	4393	8030	3915	5737	2588	1126	2400	0	4270	3543	5364	2780	5219	3989	10416	5129	6026	2891	4667	9098	6405	2106	0	0	0	4542	7080	0	4683	3455	6082	6370	2421	0	4055	1550	1810	6725	174503	4161	4827	42410	4715	4836	0	3417	2774	3277	0	1952	2361	4312	2981	2984	2525	5915	0	2105	2627	2774	3276	2411	3691	4610	3696	0	3695	2008	3731	7318	0	7090	8751	10358	8244	0	6302	5239	1436	2867	0	4071	3522	7138	277449	4407	0	0	3586	5901	Phytochemical	0.33333334	1.1666666	0.0
28	C32 H34 O10	579.2225	579.22314	-0.07702019	579.2224	3353	2385	3179	3228	4917	0	0	0	4683	6503	5884	0	7718	2126	0	3234	0	4299	5280	5976	8905	2423	2404	0	0	15990	0	7786	0	0	1866	1574	1443	0	8720	0	0	0	0	3980	6920	0	0	0	0	0	4113	0	0	0	2749	3365	3434	0	5719	4698	2168	0	0	0	0	2813	6557	3860	1861	5253	2136	0	21173	17292	29310	0	0	0	0	0	0	0	4541	3209	3218	1565	0	5287	7937	2853	4294	0	0	2185	2316	0	0	4450	4942	0	2252	3935	4545	10263	7068	0	0	0	0	1684	5154	0	0	3764	Phytochemical	0.3125	1.0625	0.0
26	C32 H34 O10	579.2225	579.2232	0.017352838	579.2225	10290	10085	9714	7751	13492	7150	2030	0	18987	24998	25436	0	14892	10545	0	0	0	14893	14283	20411	19290	10007	7652	0	0	51367	3580	20142	0	0	3764	0	5406	0	31905	0	4298	4549	4674	17990	19649	0	0	0	0	10904	14712	0	4635	0	9777	11307	8684	0	18601	15749	7338	0	4157	4068	0	15270	15868	12606	4795	11109	5660	2527	58609	50011	73353	3408	0	0	0	4110	0	3907	10875	8558	9001	8401	0	16434	24253	0	8963	6969	5264	0	0	0	10896	7258	12684	0	10825	11518	11173	24302	26379	0	0	0	0	3964	20003	0	4917	11611	Phytochemical	0.3125	1.0625	0.0
24	C32 H34 O10	579.2225	579.2232	-0.037913576	579.2225	22821	23774	21458	19100	24331	11272	4033	10865	31800	50335	59689	5166	33836	17119	7592	8617	6912	21004	27115	47714	44915	16838	13679	10025	6459	105314	3734	46596	6295	5604	9039	7802	13892	7633	76416	7523	11945	7420	6453	39184	37017	8439	0	0	0	23450	21605	0	8054	8823	22403	19584	17213	0	34228	29807	14833	9176	9870	5439	10082	30734	32257	18638	9120	26963	15698	6982	80814	101631	114194	9961	6072	3876	5493	6735	0	9503	18541	15826	15920	18135	10512	33643	37440	18586	18266	8114	11064	9910	11271	13591	14970	20008	23223	0	22662	19792	21806	37355	34954	7279	5976	12967	16416	11112	24937	0	10158	24160	Phytochemical	0.3125	1.0625	0.0
20	C32 H34 O10	579.2225	579.22327	-0.00680576	579.2225	21839	16784	21157	14925	15123	6609	5998	9173	20434	37369	32525	6818	13193	16181	8885	11164	9141	7404	15837	39884	40962	14519	10408	11672	7028	73544	6536	26346	7242	8324	8834	7574	12033	4225	45936	8260	10422	6446	9181	20450	27881	4688	0	0	0	17349	17574	0	7784	7805	11388	18764	12476	0	17496	14916	11029	9336	5310	6421	11170	12528	17802	10290	8054	19515	9079	8997	48064	70127	96702	5621	9002	6504	7287	9340	0	6425	13436	14624	10879	9763	6837	26229	20330	13102	14122	7222	6946	8788	12024	13085	15919	13431	15261	0	19460	12708	14809	20755	16657	9021	5901	12764	8372	10152	13826	0	9032	10358	Phytochemical	0.3125	1.0625	0.0
24	C29 H38 O10 S1	579.2258	579.22675	0.2882937	579.226	7525	9223	9296	9522	6043	7384	0	2729	5784	55484	9603	6686	12614	3656	4100	13340	5188	12342	12828	27002	13143	13804	0	15908	6658	0	2147	20910	4054	3694	2816	3608	5324	3869	30498	5032	5234	2591	2966	15751	11706	0	0	0	0	8718	10444	0	4564	0	10448	5575	6556	0	11142	8136	0	6916	17948	5037	3536	11638	6064	8657	0	0	12012	5295	0	18117	10342	4240	3319	0	6203	4323	0	4112	4053	9801	4023	9742	10962	11517	5220	0	6021	2755	11374	15340	39124	36884	24988	14004	35964	0	8322	8539	0	0	0	8267	3309	9895	7238	7899	5456	0	9822	9348	Organosulfur	0.3448276	1.3103448	0.0
16	C29 H38 O12	579.2436	579.24457	0.2047141	579.2437	85219	87093	107338	101343	35188	46528	83588	126407	64722	121782	71424	73472	48141	14895	99740	135649	81955	37275	83658	127032	126519	111344	91305	171837	125722	66896	94389	64799	157596	112197	119580	132560	141557	109998	183118	114800	105813	91381	98317	120304	63448	45965	756	0	0	101093	63017	0	118713	105419	102805	102803	60642	0	102527	42615	53802	138889	102206	38987	128256	73178	55995	39545	38597	60211	58211	95535	35724	88230	58415	101606	118587	122457	98404	119704	0	84809	84746	22899	70124	60657	106524	76724	46605	38145	107741	54531	62051	42086	153467	141195	54701	69191	85581	0	103438	105963	39643	39545	56745	144112	66731	116155	24176	160506	53359	0	91062	62241	Phytochemical	0.41379312	1.3103448	0.0
24	C29 H38 O12	579.2436	579.2444	0.10185275	579.24365	44191	40961	42632	43943	41282	34423	16182	40165	49288	112809	30021	19915	72148	19160	39405	31109	15540	64414	61768	79515	78577	52971	34104	37399	34986	31513	15832	28241	37117	34772	38020	31788	45210	26493	142368	30675	56841	26861	14244	59307	23567	19862	0	0	0	59318	24999	0	37679	32812	40674	40664	31064	0	79878	36140	17242	37910	44140	12360	38214	33761	72399	52154	12589	47131	35240	13358	36901	90677	47847	38886	30498	30144	17196	31195	0	32295	40413	16882	37950	30083	28493	35165	38362	25469	29639	18031	25725	13949	45611	44526	56905	26721	43424	0	40160	39892	32845	32911	32104	35275	18253	37533	36799	31789	29433	0	20750	61810	Phytochemical	0.41379312	1.3103448	0.0
22	C29 H38 O12	579.2436	579.24445	0.10076001	579.24365	121487	103061	106309	104329	88560	84090	51738	122747	119355	285405	95468	52173	142608	46144	102271	81305	47530	136345	143257	222932	193598	127152	107888	115226	107376	99374	39231	90682	105124	83994	120487	123165	117734	80730	333427	96484	152886	81678	46319	152045	51989	52400	0	0	0	140346	65227	0	99848	86763	113660	111627	78362	435	171842	83289	50921	97853	119465	30582	104023	92244	171108	117498	54300	104083	73793	46308	78181	208321	92407	108007	96522	102760	42137	95246	0	97239	93472	43598	86147	76198	74620	70291	88397	68407	93028	46333	64930	50310	121044	164013	149285	59459	110750	0	111855	112399	74080	71373	58084	97333	65544	105143	78960	92726	67591	0	74213	166996	Phytochemical	0.41379312	1.3103448	0.0
20	C29 H38 O12	579.2436	579.24445	0.104208834	579.24365	146094	130252	131963	118483	105132	88579	80561	151173	132969	305459	133238	69791	147837	63959	128809	125092	60793	131917	160305	277023	215941	154579	116414	125934	113270	134640	73761	112701	140794	98434	109492	129872	148206	104465	372924	118357	161335	100554	75715	181684	84636	67264	3547	0	0	156704	99722	0	131790	120110	125579	134221	97645	0	195968	100873	63419	126740	147157	56478	121019	111019	165625	129074	60407	116090	87544	75390	92002	232596	136882	106544	110669	121704	81386	98073	0	96676	118916	69017	108843	90865	96146	149686	106005	79965	114215	58406	76549	78370	134246	149147	161418	87669	129381	535	132107	128007	91628	92594	81508	128170	77363	136687	96233	119933	92640	0	87959	160391	Phytochemical	0.41379312	1.3103448	0.0
26	C29 H38 O12	579.2436	579.24445	0.13874678	579.2437	12884	11853	15408	11498	12493	10855	3037	8676	14457	32317	9869	0	28718	6194	8776	10476	7102	20348	21600	32506	24178	13984	10044	13604	10566	0	0	11045	10003	8609	10511	7974	11477	8289	43877	7562	16686	6560	4757	21974	9630	6070	0	0	0	17706	9295	0	13367	8802	12865	13949	9828	0	18009	13503	5416	10941	9856	4228	9277	11863	23505	14808	3528	14841	7582	2608	12005	37117	17107	10338	7799	0	0	6195	0	8922	14095	6004	8746	9345	10713	9326	14036	7286	8490	5628	8460	7289	15209	14312	14343	11886	13416	0	15313	8560	6390	12470	9565	6703	4815	8979	8965	8519	9967	0	6740	25910	Phytochemical	0.41379312	1.3103448	0.0
24	C33 H38 O9	579.25885	579.2596	-0.014308366	579.25885	35492	35377	37945	34585	32122	18770	15069	24670	38245	56995	72484	15077	44882	22409	22617	28893	19859	19433	43673	68327	64556	24675	27266	26350	25120	135225	14268	68621	21172	20853	21004	19408	27794	23503	63106	20623	34541	16752	22864	62355	58444	20854	0	0	0	31748	26767	0	25619	22785	34035	37547	23906	0	38872	38629	17978	27033	20834	16223	25136	40382	34421	32628	17538	29891	25042	27013	115165	131739	165253	22629	18227	17724	13904	21389	0	19475	38499	28926	30623	21974	17453	54685	45759	27068	42705	19209	22474	29467	25706	23966	31323	32813	28031	0	35391	33606	32723	39846	45263	30919	15287	33342	21168	23828	35927	0	20339	27417	Phytochemical	0.27272728	1.1515151	0.0
20	C33 H38 O9	579.25885	579.25964	-0.034193065	579.25885	14279	12619	11155	12233	8397	4812	4167	11876	8931	16364	19682	12662	8319	4996	9462	15131	15047	11415	10069	15973	22111	14913	11434	8382	7266	33465	8472	19123	10807	10752	11993	8967	14314	9064	23725	9221	9316	7287	14165	15205	28425	10635	0	0	0	8070	8422	0	12276	11661	8914	11012	7978	0	9866	14089	7528	12397	9535	13551	12476	9711	9312	9036	7595	11293	6735	18766	25485	35262	62915	8522	9662	10418	9953	9615	0	7598	16845	6981	12578	8211	10481	16055	14290	7925	10931	7281	6300	24937	7632	11152	12605	7446	8008	0	12302	7309	12001	12036	12286	10364	6947	11397	5373	14858	7501	0	10187	8876	Phytochemical	0.27272728	1.1515151	0.0
28	C33 H38 O9	579.25885	579.25946	-0.043686483	579.25885	3490	4775	3694	4428	5806	0	2162	0	7028	5118	6986	1958	8232	2944	0	4380	0	0	7396	5463	5980	3052	2779	0	0	22195	2370	8137	3271	0	2728	2715	3235	2390	7524	3957	4761	2437	2500	5692	7977	0	0	0	0	0	0	0	1834	0	5188	3788	4725	0	4714	10605	3030	3164	1838	0	4093	3073	8302	3617	2385	5220	5305	2326	22350	17168	29499	0	0	0	0	3567	0	0	6209	0	3164	2362	0	6458	8731	4001	5632	3606	2699	3628	0	4073	5062	2908	3008	0	5688	3735	5180	12198	14323	4124	1806	3434	0	3335	6104	0	2901	3872	Phytochemical	0.27272728	1.1515151	0.0
22	C33 H38 O9	579.25885	579.25964	-0.022220682	579.25885	28287	34192	25442	27602	24206	15510	16930	21453	27803	47415	57006	16693	21537	20600	20232	23265	20338	17149	29664	54494	57740	28390	27777	28348	18277	111909	14317	51049	20854	22931	22163	21467	27564	19424	55989	22097	25459	23052	22608	48178	54820	15026	0	0	0	23873	31044	0	26054	22239	26302	28921	19575	0	32469	35451	15618	25708	18355	19227	27388	33512	28970	30545	20164	25726	19749	27267	81733	114628	117256	19835	19303	14746	16164	14828	0	13278	37055	22374	28771	14582	16982	40041	39358	17795	29531	16907	14643	35344	18970	26746	23989	18468	28585	0	26970	31139	26995	32954	30778	29768	15987	30525	19030	24363	22665	0	23039	23525	Phytochemical	0.27272728	1.1515151	0.0
26	C33 H38 O9	579.25885	579.25964	-0.01825799	579.25885	24096	21957	14474	20542	20105	10792	6295	18860	27443	25255	40028	9130	25297	14415	9452	15913	0	15136	24424	47006	46623	15084	21234	19708	13296	98893	6164	43288	14867	10958	10313	9103	14961	12088	38395	9040	16476	9623	7728	35867	33436	11916	0	0	0	20597	16239	0	9579	15631	18722	22509	13098	0	29452	34009	13784	12716	8869	5140	20556	22165	24977	18137	10857	19641	15121	10464	91287	80994	90214	11724	13489	12618	10871	11914	0	9123	22969	16979	19152	11916	10042	30866	31767	12702	21504	12600	11935	10697	11916	13821	15576	15281	15503	0	20982	20660	19370	37136	40307	16769	8147	15367	0	9621	18491	0	13432	16665	Phytochemical	0.27272728	1.1515151	0.0
24	C30 H42 O9 S1	579.2622	579.2636	0.71067554	579.26263	10074	10220	11233	11715	10128	9126	4534	6683	12487	20286	6773	3915	15576	5679	7390	9558	7690	15383	18073	25909	38374	14603	6370	20564	7646	12568	2444	10704	8357	7268	7837	9071	8009	8130	24958	8691	8117	5592	7554	22423	6165	6698	0	0	0	15680	10550	0	15916	4543	12359	8626	7114	0	21161	8782	4687	8926	10648	12586	8721	11619	11060	8233	5552	9279	7175	6597	10267	26481	15205	6255	8574	9224	6658	7515	0	5433	8045	16798	6815	6176	10390	10601	12570	9768	10319	5272	15886	8652	18124	35570	16699	22548	31982	0	6233	10646	7025	7252	8335	11059	5971	13810	7776	7391	9278	0	18336	28544	Organosulfur	0.3	1.4	0.0
16	C30 H42 O11	579.27997	579.281	0.24171765	579.28015	12536	10836	10028	13603	5203	3524	13675	13198	7673	5979	5887	9202	3688	2936	8627	16129	17737	3110	7543	11651	6838	7449	9832	14170	12625	6462	10153	5548	12776	22420	16792	14887	10555	9138	11971	18155	14051	11165	23494	6732	2945	3542	0	0	0	4860	6722	0	15865	9639	7846	8997	2737	0	7871	8098	5856	15481	9488	9117	12188	2885	7582	7177	5743	7546	5410	21114	0	7549	5406	6791	11732	17529	20342	13938	0	8241	19327	3903	12931	4737	12919	5732	11422	5756	19831	3070	4906	0	13014	13772	0	5582	2614	0	6178	13651	5100	10581	12799	16422	7380	8939	3789	0	5911	0	14760	4857	Lipid	0.36666667	1.4	0.0
22	C30 H42 O11	579.27997	579.28076	0.033624586	579.28	96149	94064	81226	91836	79780	58717	66570	108962	102119	178038	88784	54154	99469	48463	96981	89269	54717	120862	122892	164923	138619	104456	97953	95134	102208	69692	51535	83655	108218	94029	96178	117322	111723	81849	229508	96046	124631	78111	53684	100730	41022	52992	0	0	0	91270	41899	0	105172	85958	96325	92186	72320	0	164616	86859	56321	93342	107142	33236	94637	69160	135665	98617	45965	90898	69969	58622	62678	156936	85950	84328	77997	87948	56081	76511	0	81479	92534	37561	78396	50399	88922	66476	81691	62040	85341	43962	64663	56994	128501	134626	128349	52103	90599	0	99107	99235	61769	77892	78856	122550	66962	103305	61546	82655	74524	0	71524	126620	Lipid	0.36666667	1.4	0.0
24	C30 H42 O11	579.27997	579.28076	0.021650342	579.28	70903	67020	62446	63068	48960	48735	34522	67033	78562	140959	52030	29082	89182	35816	66830	53080	29580	80718	129302	135630	104269	68554	54843	67430	71570	56683	31935	54912	74875	57109	65304	61179	85227	51402	207604	68866	107327	52245	31180	88283	26715	39169	0	0	0	67892	21499	0	68224	57655	78478	64707	49717	0	124974	64909	34888	65413	73090	17113	66739	50626	102027	74179	31398	67693	44745	25170	44314	133390	58950	63423	54961	68350	25738	50626	0	52030	63043	27054	56198	35536	50703	49236	65522	51906	53491	27966	47531	29946	82283	99112	90806	32715	63222	0	65930	70990	42605	49750	47104	62459	33068	76555	37874	64229	44597	0	46098	95263	Lipid	0.36666667	1.4	0.0
26	C30 H42 O11	579.27997	579.2808	0.06232745	579.28	22378	20412	21968	19711	16222	15871	8502	23010	29636	43340	14916	6898	43190	9706	28572	19300	0	34111	39393	52372	37329	21987	27001	22883	20833	20520	6906	17125	24545	13967	18280	18523	27786	17955	57984	19187	34152	12516	7792	33783	10306	6453	0	0	0	23194	10408	0	18943	15123	20537	20322	17184	0	47702	23545	12434	18571	21011	4284	23460	14106	37335	26365	8530	24190	16020	8872	20719	45813	21423	19632	19047	16968	10658	16147	0	16307	21316	7328	16615	9104	13740	16178	18202	15430	18129	9461	15886	9146	25710	36876	28992	8850	18839	0	23727	25589	16849	18997	19057	20457	9073	24356	9396	16386	11523	0	12797	36210	Lipid	0.36666667	1.4	0.0
20	C30 H42 O11	579.27997	579.2808	0.04194456	579.28	69171	72836	67528	66811	40798	39008	62782	82291	71397	105940	46882	46827	81626	30729	70237	77096	52179	56463	77783	102139	84449	68329	57631	72817	61812	53964	49490	55667	83877	69755	73069	73155	82653	58606	125089	74141	90002	61094	56042	62388	43605	41547	1570	0	0	55583	39612	0	78973	65446	74433	67929	53178	0	98507	61555	35973	73502	65371	33155	65568	42300	75704	68225	33796	57492	45774	61773	45023	82241	62447	61355	60930	81327	63880	65525	0	58309	75442	35164	55708	38133	63119	60451	63285	46636	81665	30966	48119	58254	73393	83912	91384	31734	42848	0	67066	75828	46150	64566	64660	80826	49014	80502	37166	68434	47094	0	58460	72048	Lipid	0.36666667	1.4	0.0
18	C30 H42 O11	579.27997	579.2809	0.09778604	579.28	36588	34578	35710	31058	17428	14001	31415	36549	21094	29670	24116	28348	21129	12071	31376	40800	36197	27006	32069	39380	24659	19544	26736	38557	27555	16235	29222	24239	46539	31122	36009	41927	38293	26936	39878	48206	42550	29625	44733	21840	23761	20265	0	0	0	23461	15441	0	43302	33120	34764	32967	20149	0	37378	25313	18049	35936	29172	22743	33484	12281	25635	27644	12083	20759	20025	43479	11347	25568	27837	25432	26471	39630	38876	43066	0	26496	44013	14225	27197	14652	28650	17743	34665	18230	50959	11039	20677	40023	39780	31169	44073	15577	22494	0	31057	29516	19613	26846	33420	46913	23874	40188	15436	34465	22307	0	37951	18726	Lipid	0.36666667	1.4	0.0
28	C34 H42 O8	579.2952	579.296	0.016233416	579.2952	5495	6514	6868	5685	3403	1937	3878	8572	6056	4640	8141	2274	8883	3410	3528	5639	3328	2904	6102	7668	6092	5081	6901	5799	6189	24675	2701	9713	6311	5892	5591	7409	6281	3314	5947	8126	5455	4087	5823	6476	7386	4023	0	0	0	4857	2792	0	4414	5465	5524	6300	4940	0	8342	11876	2400	7620	3212	0	4626	4136	4583	6769	2599	7216	4538	5511	23793	13774	21263	4825	4042	4199	0	5460	0	3120	12558	4118	6816	2374	3294	8867	12835	4091	12212	2341	3420	7331	4051	5004	7989	3500	2890	0	4217	7152	4061	20001	20486	8745	3563	7948	0	5811	5953	0	4428	3637	Phytochemical	0.23529412	1.2352941	0.0
26	C34 H42 O8	579.2952	579.2961	-0.008214015	579.2952	27418	27807	23232	25091	20333	13295	13922	30026	25400	21763	43909	19276	27185	28004	22995	34199	23074	18235	35232	48626	41629	19224	27457	33466	28458	89124	15404	46207	28699	44340	25769	23291	29885	22883	36259	32994	27430	22551	26566	37043	39613	17477	0	0	0	26545	17779	0	28081	33349	29006	29364	17881	0	33476	55769	20885	27582	24360	19869	29635	27999	26405	22258	13977	25126	20048	30546	84736	62058	87479	22290	19618	27248	20846	27180	0	15684	39918	21673	24103	15187	22982	35885	46135	21509	38660	16864	18816	30280	19522	21050	38013	23251	19037	0	29409	28334	23343	54067	57434	38451	16991	35346	14327	24667	27975	0	26578	16818	Phytochemical	0.23529412	1.2352941	0.0
8	C35 H46 O5 S1	579.31384	579.31476	-0.21406622	579.3137	914	0	0	0	0	1370	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8925	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	20451	0	0	0	0	0	0	0	0	0	0	16190	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	Organosulfur	0.14285715	1.3142858	0.0
22	C31 H46 O10	579.31635	579.3172	0.037601925	579.3164	30259	24679	27144	24531	20936	16941	28173	35151	27840	14783	14842	18341	24425	11029	24351	34333	26180	25562	35725	27394	20646	19188	19346	17766	25167	14041	26219	17408	50755	35827	42680	47263	39105	29790	24930	41177	37046	21244	27408	14152	10778	18143	0	0	0	15423	9563	0	56355	23934	26835	23669	22162	0	52603	28938	17163	38435	26036	12591	30599	11174	32704	25905	15945	26560	19982	26998	10287	22295	15612	24201	26847	28218	30870	34081	0	29517	26552	10268	21851	12449	32566	17516	27003	20477	29139	13609	24739	18186	30381	42801	31222	9820	14934	0	26955	29405	13577	27434	32561	45142	19540	44151	11788	23200	22174	0	19706	33013	Lipid	0.32258064	1.483871	0.0
24	C31 H46 O10	579.31635	579.31714	-0.020797823	579.31635	39653	39346	36300	30387	32223	23470	35274	44428	37560	49344	24883	22715	51493	24000	34998	45730	20628	46516	68784	52387	37272	32330	26783	39270	36707	26316	28285	34077	59527	44070	45654	51853	59136	34904	60900	47256	67209	26871	26948	40720	9215	25180	0	0	0	30447	11986	0	57305	30514	34649	36738	28837	0	79637	35200	20400	55146	45368	10513	43647	23353	55753	41850	21364	36733	32439	23396	13715	51475	24312	34004	36117	42507	26400	38545	0	34226	32594	16894	25268	18667	44075	31041	42087	32800	41658	17523	31516	15405	63752	63634	51551	21354	28298	0	32576	39146	21753	32413	37065	53715	22487	52309	18245	33497	27024	0	33836	42804	Lipid	0.32258064	1.483871	0.0
26	C31 H46 O10	579.31635	579.3172	0.057787664	579.3164	30354	33388	32655	29537	18485	19290	27381	51026	29341	23081	14867	24922	31287	16509	22780	42951	11160	28771	58649	54229	30558	19117	23551	18534	23794	11308	23702	19503	156030	149067	107234	73710	70293	71663	51453	82149	82833	21961	9590	26218	10956	19713	0	0	0	23791	0	0	141057	51284	34234	26112	17063	0	45826	27926	19450	54044	36807	5761	48278	17883	36419	29033	27899	21737	27900	7710	14101	40617	12866	56639	47256	42711	36492	69957	0	23000	18875	8565	15062	12266	30946	14318	24614	16321	20039	13915	39627	11174	36203	43927	36143	12687	17162	0	34645	39690	14842	23791	21844	74382	30930	180498	18234	21360	19389	0	12974	29870	Lipid	0.32258064	1.483871	0.0
22	C35 H46 O7	579.3316	579.33246	0.058505327	579.33167	2623	1814	2945	0	0	1281	4967	5311	1790	0	0	3479	0	0	4635	5877	13045	0	0	0	0	1590	2789	1817	4245	1972	3386	2129	3674	4470	2650	4360	3846	0	0	6282	2415	4456	18648	2229	2763	1634	0	0	0	0	0	0	2501	5058	2030	2805	0	0	3072	4266	2006	5483	2037	2806	3108	1093	0	2185	1885	0	1857	22194	2127	2513	3258	0	0	4135	9264	4548	0	2071	6862	3141	7780	0	3372	2544	2553	3060	7202	0	2378	15601	0	3915	3191	1544	0	0	2432	3511	0	5446	4080	9781	2911	4795	0	4950	1719	0	7214	0	Phytochemical	0.2	1.3142858	0.0
24	C35 H46 O7	579.3316	579.3324	0.023838678	579.33167	12686	15137	10591	12945	4392	3957	15789	15887	8768	5865	11932	13115	4306	5174	12348	24977	31477	3297	10076	5879	6339	7054	11390	15736	13132	16619	11812	9759	15287	16968	10438	16408	15195	8050	6538	22044	15573	13328	43836	11545	17871	6957	0	0	0	5689	8551	0	14814	16094	9233	10197	7027	0	7765	14663	9552	22728	7850	10544	16732	4350	4198	8385	6979	5141	7879	38335	13455	11292	11341	4876	6530	18673	25049	21529	0	10724	24034	10922	13343	5566	16706	9730	13013	9270	21848	5671	8381	30875	7333	13355	14754	8997	7854	0	12834	11062	7309	20565	20197	23791	10658	17496	3520	12973	9920	0	20009	2989	Phytochemical	0.2	1.3142858	0.0
28	C35 H46 O7	579.3316	579.3324	0.03966633	579.33167	7506	7200	4808	5304	2960	1636	5425	11164	4687	1974	3683	10936	5664	2568	5536	7989	10546	2337	4451	5212	0	3964	4957	5436	6940	14093	9485	9108	13443	21374	11168	13305	11700	9264	2659	17983	8415	5355	9084	3042	4717	4439	0	0	0	2463	0	0	12410	13754	8267	6036	3998	0	8750	10432	4274	9466	4669	3607	8461	3527	2053	4299	2511	3432	5577	10742	9813	5574	5330	4148	4842	10151	5276	11339	0	7633	11379	5088	4588	2228	5266	5888	9018	4766	11400	1943	4096	8307	4481	4557	7557	2378	0	0	6560	5255	3560	25103	22232	15083	9292	15531	2363	8461	5935	0	8363	1551	Phytochemical	0.2	1.3142858	0.0
26	C35 H46 O7	579.3316	579.3324	-0.06212878	579.3316	20663	19862	18730	15123	8881	4761	14763	32207	12482	6904	19700	28117	13033	9103	21888	36727	36476	0	14828	19590	16206	12371	13512	27986	22522	38378	17009	23990	32311	58178	29531	39347	30028	20051	8909	41845	26856	23314	33519	17085	21400	12750	0	0	0	9011	9188	0	36818	35965	19873	16212	9348	0	21776	28882	13537	27862	14466	14544	27505	12032	9139	12759	10788	8284	18058	38426	29098	22181	24999	15254	21580	31193	38972	35490	0	24184	29418	15879	25066	6906	17725	18355	20430	16972	36009	9313	16128	36147	10943	17498	26794	12978	8047	0	18399	17331	12211	38695	41910	42928	24205	46540	6933	23345	13837	0	23356	3493	Phytochemical	0.2	1.3142858	0.0
26	C32 H50 O9	579.3528	579.35345	0.050177913	579.3528	11433	5897	7684	7410	5355	3025	23153	17705	5359	1569	4174	14497	4420	6933	0	15096	7327	7061	13408	5175	0	4293	0	0	8020	0	20697	7128	31027	60118	19684	17075	17713	10999	4084	19181	14118	5433	8552	2572	0	0	0	0	0	0	0	0	29862	26725	8029	6314	4626	0	10320	6190	0	14965	5512	0	13401	0	5763	5388	5518	4468	7618	9913	0	3006	0	13924	16516	16730	18914	22572	0	5200	5433	0	2881	2602	13656	5435	7263	0	5373	3073	4451	4949	18337	13609	5705	0	0	0	5847	13186	2433	8918	9610	16423	8399	9769	0	4580	4548	0	4507	5047	Lipid	0.28125	1.5625	0.0